smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070353423 837647918 /nfs/dbraw/zinc/64/79/18/837647918.db2.gz OLOHBFDGQGPCCK-IHRRRGAJSA-N 2 2 350.467 0.386 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070353423 837647920 /nfs/dbraw/zinc/64/79/20/837647920.db2.gz OLOHBFDGQGPCCK-IHRRRGAJSA-N 2 2 350.467 0.386 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001070353423 837647923 /nfs/dbraw/zinc/64/79/23/837647923.db2.gz OLOHBFDGQGPCCK-IHRRRGAJSA-N 2 2 350.467 0.386 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001070353423 837647925 /nfs/dbraw/zinc/64/79/25/837647925.db2.gz OLOHBFDGQGPCCK-IHRRRGAJSA-N 2 2 350.467 0.386 20 0 FCADLP Cc1nnsc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850246 837745027 /nfs/dbraw/zinc/74/50/27/837745027.db2.gz SXELIEXUOABVBG-TZMCWYRMSA-N 2 2 365.503 0.600 20 0 FCADLP Cc1nnsc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850246 837745031 /nfs/dbraw/zinc/74/50/31/837745031.db2.gz SXELIEXUOABVBG-TZMCWYRMSA-N 2 2 365.503 0.600 20 0 FCADLP Cc1nnsc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850246 837745037 /nfs/dbraw/zinc/74/50/37/837745037.db2.gz SXELIEXUOABVBG-TZMCWYRMSA-N 2 2 365.503 0.600 20 0 FCADLP Cc1nnsc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850246 837745043 /nfs/dbraw/zinc/74/50/43/837745043.db2.gz SXELIEXUOABVBG-TZMCWYRMSA-N 2 2 365.503 0.600 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C(F)(F)F)cn1 ZINC001099349645 844039304 /nfs/dbraw/zinc/03/93/04/844039304.db2.gz FGQXFUOLXDNOIO-CHWSQXEVSA-N 2 2 356.352 0.796 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000746762795 836197858 /nfs/dbraw/zinc/19/78/58/836197858.db2.gz SRCYRHWIFJHVBR-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000746762795 836197913 /nfs/dbraw/zinc/19/79/13/836197913.db2.gz SRCYRHWIFJHVBR-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101308450 844140697 /nfs/dbraw/zinc/14/06/97/844140697.db2.gz MWZUMMOFVGNJQB-QAPCUYQASA-N 2 2 350.463 0.142 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101308450 844140703 /nfs/dbraw/zinc/14/07/03/844140703.db2.gz MWZUMMOFVGNJQB-QAPCUYQASA-N 2 2 350.463 0.142 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000747749751 836260258 /nfs/dbraw/zinc/26/02/58/836260258.db2.gz IEOPMCHCUZTQGH-INIZCTEOSA-N 2 2 358.552 0.530 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000747749751 836260269 /nfs/dbraw/zinc/26/02/69/836260269.db2.gz IEOPMCHCUZTQGH-INIZCTEOSA-N 2 2 358.552 0.530 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388037 844170643 /nfs/dbraw/zinc/17/06/43/844170643.db2.gz KAVSIKBHLHKLPQ-DAYGRLMNSA-N 2 2 350.463 0.378 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388037 844170650 /nfs/dbraw/zinc/17/06/50/844170650.db2.gz KAVSIKBHLHKLPQ-DAYGRLMNSA-N 2 2 350.463 0.378 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388037 844170655 /nfs/dbraw/zinc/17/06/55/844170655.db2.gz KAVSIKBHLHKLPQ-DAYGRLMNSA-N 2 2 350.463 0.378 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388037 844170658 /nfs/dbraw/zinc/17/06/58/844170658.db2.gz KAVSIKBHLHKLPQ-DAYGRLMNSA-N 2 2 350.463 0.378 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000751032741 836460214 /nfs/dbraw/zinc/46/02/14/836460214.db2.gz JLHHUACNQVEHBU-UHFFFAOYSA-N 2 2 372.535 0.988 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000751032741 836460220 /nfs/dbraw/zinc/46/02/20/836460220.db2.gz JLHHUACNQVEHBU-UHFFFAOYSA-N 2 2 372.535 0.988 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448577 844189504 /nfs/dbraw/zinc/18/95/04/844189504.db2.gz BLEUQEUZENJBGH-KYJSFNMBSA-N 2 2 350.463 0.140 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448577 844189506 /nfs/dbraw/zinc/18/95/06/844189506.db2.gz BLEUQEUZENJBGH-KYJSFNMBSA-N 2 2 350.463 0.140 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C2 ZINC001101488133 844207316 /nfs/dbraw/zinc/20/73/16/844207316.db2.gz NQELGEFLCOQQJQ-NFAWXSAZSA-N 2 2 360.380 0.977 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C2 ZINC001101488133 844207325 /nfs/dbraw/zinc/20/73/25/844207325.db2.gz NQELGEFLCOQQJQ-NFAWXSAZSA-N 2 2 360.380 0.977 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)CC1 ZINC001076407494 837997311 /nfs/dbraw/zinc/99/73/11/837997311.db2.gz HKMHRBXBDRRXMT-XJKSGUPXSA-N 2 2 365.503 0.682 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)CC1 ZINC001076407494 837997315 /nfs/dbraw/zinc/99/73/15/837997315.db2.gz HKMHRBXBDRRXMT-XJKSGUPXSA-N 2 2 365.503 0.682 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805306 838112132 /nfs/dbraw/zinc/11/21/32/838112132.db2.gz BBMMCXVMQDFFPL-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805306 838112141 /nfs/dbraw/zinc/11/21/41/838112141.db2.gz BBMMCXVMQDFFPL-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805306 838112145 /nfs/dbraw/zinc/11/21/45/838112145.db2.gz BBMMCXVMQDFFPL-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805306 838112150 /nfs/dbraw/zinc/11/21/50/838112150.db2.gz BBMMCXVMQDFFPL-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1)OC ZINC001077033518 838230189 /nfs/dbraw/zinc/23/01/89/838230189.db2.gz XZGUJQWYQURTGQ-BZUAXINKSA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1)OC ZINC001077033518 838230196 /nfs/dbraw/zinc/23/01/96/838230196.db2.gz XZGUJQWYQURTGQ-BZUAXINKSA-N 2 2 350.463 0.348 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091014 838725224 /nfs/dbraw/zinc/72/52/24/838725224.db2.gz IYGIECHMELJNGJ-OWCLPIDISA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091014 838725230 /nfs/dbraw/zinc/72/52/30/838725230.db2.gz IYGIECHMELJNGJ-OWCLPIDISA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091014 838725234 /nfs/dbraw/zinc/72/52/34/838725234.db2.gz IYGIECHMELJNGJ-OWCLPIDISA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091014 838725238 /nfs/dbraw/zinc/72/52/38/838725238.db2.gz IYGIECHMELJNGJ-OWCLPIDISA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001077128082 838752478 /nfs/dbraw/zinc/75/24/78/838752478.db2.gz WLSPTVULZCOKFY-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001077128082 838752481 /nfs/dbraw/zinc/75/24/81/838752481.db2.gz WLSPTVULZCOKFY-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077128082 838752489 /nfs/dbraw/zinc/75/24/89/838752489.db2.gz WLSPTVULZCOKFY-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077128082 838752493 /nfs/dbraw/zinc/75/24/93/838752493.db2.gz WLSPTVULZCOKFY-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC(=O)COCC[NH+](C)C ZINC001077139523 838762776 /nfs/dbraw/zinc/76/27/76/838762776.db2.gz ROHRYIMWXKESDN-BFHYXJOUSA-N 2 2 351.451 0.102 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NC(=O)COCC[NH+](C)C ZINC001077139523 838762783 /nfs/dbraw/zinc/76/27/83/838762783.db2.gz ROHRYIMWXKESDN-BFHYXJOUSA-N 2 2 351.451 0.102 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)c[nH+]1 ZINC001077209454 838816386 /nfs/dbraw/zinc/81/63/86/838816386.db2.gz IUJXVDLAJOFEHN-ARFHVFGLSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)c[nH+]1 ZINC001077209454 838816399 /nfs/dbraw/zinc/81/63/99/838816399.db2.gz IUJXVDLAJOFEHN-ARFHVFGLSA-N 2 2 350.463 0.657 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC001102015647 844375291 /nfs/dbraw/zinc/37/52/91/844375291.db2.gz NFGOBKMZYLUZKI-KFWWJZLASA-N 2 2 354.474 0.679 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237253 838842889 /nfs/dbraw/zinc/84/28/89/838842889.db2.gz DKMVQCWARYYSIQ-BZUAXINKSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077237253 838842904 /nfs/dbraw/zinc/84/29/04/838842904.db2.gz DKMVQCWARYYSIQ-BZUAXINKSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237253 838842916 /nfs/dbraw/zinc/84/29/16/838842916.db2.gz DKMVQCWARYYSIQ-BZUAXINKSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237253 838842927 /nfs/dbraw/zinc/84/29/27/838842927.db2.gz DKMVQCWARYYSIQ-BZUAXINKSA-N 2 2 352.504 0.906 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C ZINC001102015647 844375280 /nfs/dbraw/zinc/37/52/80/844375280.db2.gz NFGOBKMZYLUZKI-KFWWJZLASA-N 2 2 354.474 0.679 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001077505044 839002641 /nfs/dbraw/zinc/00/26/41/839002641.db2.gz LNEPKWLFAIKOPS-MGPQQGTHSA-N 2 2 361.433 0.446 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001077505044 839002650 /nfs/dbraw/zinc/00/26/50/839002650.db2.gz LNEPKWLFAIKOPS-MGPQQGTHSA-N 2 2 361.433 0.446 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675555 839103416 /nfs/dbraw/zinc/10/34/16/839103416.db2.gz QPZVGPSZSIMMFY-NWANDNLSSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675555 839103422 /nfs/dbraw/zinc/10/34/22/839103422.db2.gz QPZVGPSZSIMMFY-NWANDNLSSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675555 839103434 /nfs/dbraw/zinc/10/34/34/839103434.db2.gz QPZVGPSZSIMMFY-NWANDNLSSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675555 839103439 /nfs/dbraw/zinc/10/34/39/839103439.db2.gz QPZVGPSZSIMMFY-NWANDNLSSA-N 2 2 355.870 0.182 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077676736 839104194 /nfs/dbraw/zinc/10/41/94/839104194.db2.gz HJTBXPAKGAIZOC-CSMYWGQOSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077676736 839104200 /nfs/dbraw/zinc/10/42/00/839104200.db2.gz HJTBXPAKGAIZOC-CSMYWGQOSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077676736 839104205 /nfs/dbraw/zinc/10/42/05/839104205.db2.gz HJTBXPAKGAIZOC-CSMYWGQOSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077676736 839104209 /nfs/dbraw/zinc/10/42/09/839104209.db2.gz HJTBXPAKGAIZOC-CSMYWGQOSA-N 2 2 350.463 0.691 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)cn1 ZINC001077817178 839174713 /nfs/dbraw/zinc/17/47/13/839174713.db2.gz RNGFFXVCSFTCQR-CHWSQXEVSA-N 2 2 363.384 0.172 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)cn1 ZINC001077817178 839174715 /nfs/dbraw/zinc/17/47/15/839174715.db2.gz RNGFFXVCSFTCQR-CHWSQXEVSA-N 2 2 363.384 0.172 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001078180272 839384080 /nfs/dbraw/zinc/38/40/80/839384080.db2.gz VLKZEMSRNNXIFG-IXDOHACOSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001078180272 839384089 /nfs/dbraw/zinc/38/40/89/839384089.db2.gz VLKZEMSRNNXIFG-IXDOHACOSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078179959 839385159 /nfs/dbraw/zinc/38/51/59/839385159.db2.gz HBVAQBPPHAQRNV-JHJVBQTASA-N 2 2 350.290 0.827 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078179959 839385173 /nfs/dbraw/zinc/38/51/73/839385173.db2.gz HBVAQBPPHAQRNV-JHJVBQTASA-N 2 2 350.290 0.827 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001078403744 839456905 /nfs/dbraw/zinc/45/69/05/839456905.db2.gz HPDXEIFBHOQYAO-HRCADAONSA-N 2 2 367.519 0.976 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001078403744 839456911 /nfs/dbraw/zinc/45/69/11/839456911.db2.gz HPDXEIFBHOQYAO-HRCADAONSA-N 2 2 367.519 0.976 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccon3)C2)O1 ZINC001078418500 839461119 /nfs/dbraw/zinc/46/11/19/839461119.db2.gz PEGSVEGOSQZZBH-VNQPRFMTSA-N 2 2 352.435 0.101 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccon3)C2)O1 ZINC001078418500 839461124 /nfs/dbraw/zinc/46/11/24/839461124.db2.gz PEGSVEGOSQZZBH-VNQPRFMTSA-N 2 2 352.435 0.101 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494602 839535059 /nfs/dbraw/zinc/53/50/59/839535059.db2.gz JIWMBHJUBNLLJZ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494602 839535066 /nfs/dbraw/zinc/53/50/66/839535066.db2.gz JIWMBHJUBNLLJZ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494602 839535075 /nfs/dbraw/zinc/53/50/75/839535075.db2.gz JIWMBHJUBNLLJZ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494602 839535084 /nfs/dbraw/zinc/53/50/84/839535084.db2.gz JIWMBHJUBNLLJZ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079495047 839537142 /nfs/dbraw/zinc/53/71/42/839537142.db2.gz WTTVQVCPELVSJL-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079495047 839537145 /nfs/dbraw/zinc/53/71/45/839537145.db2.gz WTTVQVCPELVSJL-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079495047 839537155 /nfs/dbraw/zinc/53/71/55/839537155.db2.gz WTTVQVCPELVSJL-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079495047 839537160 /nfs/dbraw/zinc/53/71/60/839537160.db2.gz WTTVQVCPELVSJL-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001080139767 839672617 /nfs/dbraw/zinc/67/26/17/839672617.db2.gz VZWGSGTZRJKBEF-CZUORRHYSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001080139767 839672622 /nfs/dbraw/zinc/67/26/22/839672622.db2.gz VZWGSGTZRJKBEF-CZUORRHYSA-N 2 2 368.503 0.453 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177270 839678662 /nfs/dbraw/zinc/67/86/62/839678662.db2.gz CVUQSMPKQVITPK-TVFCKZIOSA-N 2 2 353.507 0.959 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177270 839678667 /nfs/dbraw/zinc/67/86/67/839678667.db2.gz CVUQSMPKQVITPK-TVFCKZIOSA-N 2 2 353.507 0.959 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943181 839839711 /nfs/dbraw/zinc/83/97/11/839839711.db2.gz UEOGEOMCMYQCEU-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943181 839839718 /nfs/dbraw/zinc/83/97/18/839839718.db2.gz UEOGEOMCMYQCEU-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976590 839852436 /nfs/dbraw/zinc/85/24/36/839852436.db2.gz CHOVTTMIFUDXLA-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976590 839852441 /nfs/dbraw/zinc/85/24/41/839852441.db2.gz CHOVTTMIFUDXLA-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976590 839852450 /nfs/dbraw/zinc/85/24/50/839852450.db2.gz CHOVTTMIFUDXLA-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976590 839852455 /nfs/dbraw/zinc/85/24/55/839852455.db2.gz CHOVTTMIFUDXLA-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375553 844480282 /nfs/dbraw/zinc/48/02/82/844480282.db2.gz PQADRHCUNHMIGQ-ZIAGYGMSSA-N 2 2 351.499 0.372 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375553 844480285 /nfs/dbraw/zinc/48/02/85/844480285.db2.gz PQADRHCUNHMIGQ-ZIAGYGMSSA-N 2 2 351.499 0.372 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375553 844480292 /nfs/dbraw/zinc/48/02/92/844480292.db2.gz PQADRHCUNHMIGQ-ZIAGYGMSSA-N 2 2 351.499 0.372 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375553 844480296 /nfs/dbraw/zinc/48/02/96/844480296.db2.gz PQADRHCUNHMIGQ-ZIAGYGMSSA-N 2 2 351.499 0.372 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445817 839931884 /nfs/dbraw/zinc/93/18/84/839931884.db2.gz CEWRPMJEYOGPHS-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445817 839931897 /nfs/dbraw/zinc/93/18/97/839931897.db2.gz CEWRPMJEYOGPHS-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081445817 839931905 /nfs/dbraw/zinc/93/19/05/839931905.db2.gz CEWRPMJEYOGPHS-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081445817 839931916 /nfs/dbraw/zinc/93/19/16/839931916.db2.gz CEWRPMJEYOGPHS-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102407961 844488102 /nfs/dbraw/zinc/48/81/02/844488102.db2.gz SOHSGTCZEFCLRF-BFHYXJOUSA-N 2 2 356.492 0.317 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102407961 844488109 /nfs/dbraw/zinc/48/81/09/844488109.db2.gz SOHSGTCZEFCLRF-BFHYXJOUSA-N 2 2 356.492 0.317 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081707786 840005508 /nfs/dbraw/zinc/00/55/08/840005508.db2.gz SSQHCWDOJKKLAZ-FVQBIDKESA-N 2 2 350.463 0.612 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081707786 840005513 /nfs/dbraw/zinc/00/55/13/840005513.db2.gz SSQHCWDOJKKLAZ-FVQBIDKESA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135100 840204901 /nfs/dbraw/zinc/20/49/01/840204901.db2.gz OSRBHTNIPPUNRK-JCURWCKSSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082135100 840204906 /nfs/dbraw/zinc/20/49/06/840204906.db2.gz OSRBHTNIPPUNRK-JCURWCKSSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082135100 840204908 /nfs/dbraw/zinc/20/49/08/840204908.db2.gz OSRBHTNIPPUNRK-JCURWCKSSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082135100 840204914 /nfs/dbraw/zinc/20/49/14/840204914.db2.gz OSRBHTNIPPUNRK-JCURWCKSSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134870 840204947 /nfs/dbraw/zinc/20/49/47/840204947.db2.gz GXGHLZNIAURCEU-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134870 840204957 /nfs/dbraw/zinc/20/49/57/840204957.db2.gz GXGHLZNIAURCEU-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082134870 840204967 /nfs/dbraw/zinc/20/49/67/840204967.db2.gz GXGHLZNIAURCEU-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082134870 840204980 /nfs/dbraw/zinc/20/49/80/840204980.db2.gz GXGHLZNIAURCEU-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001082447970 840415151 /nfs/dbraw/zinc/41/51/51/840415151.db2.gz ZFVTVYLNCKCNBN-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001082447970 840415156 /nfs/dbraw/zinc/41/51/56/840415156.db2.gz ZFVTVYLNCKCNBN-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513705 844545136 /nfs/dbraw/zinc/54/51/36/844545136.db2.gz YBFSZIXENXKWTK-ZIAGYGMSSA-N 2 2 371.913 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513705 844545138 /nfs/dbraw/zinc/54/51/38/844545138.db2.gz YBFSZIXENXKWTK-ZIAGYGMSSA-N 2 2 371.913 0.836 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001082657238 840512689 /nfs/dbraw/zinc/51/26/89/840512689.db2.gz PGQMNIOTMFVPBD-TVFCKZIOSA-N 2 2 353.507 0.959 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001082703311 840530839 /nfs/dbraw/zinc/53/08/39/840530839.db2.gz KYAKDXWKAVUKGX-BPLDGKMQSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001082703311 840530847 /nfs/dbraw/zinc/53/08/47/840530847.db2.gz KYAKDXWKAVUKGX-BPLDGKMQSA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082766689 840548690 /nfs/dbraw/zinc/54/86/90/840548690.db2.gz RQHGMGRQMRLBPS-VNHYZAJKSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082823434 840574759 /nfs/dbraw/zinc/57/47/59/840574759.db2.gz MDMGJZZASWGSPB-HZSPNIEDSA-N 2 2 354.476 0.214 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001082860841 840586879 /nfs/dbraw/zinc/58/68/79/840586879.db2.gz QOPLLYWXPKHPEK-IUODEOHRSA-N 2 2 363.487 0.631 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001083157977 840759451 /nfs/dbraw/zinc/75/94/51/840759451.db2.gz ZTMDMYNQSWGRKC-JKSUJKDBSA-N 2 2 361.471 0.884 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001083157977 840759459 /nfs/dbraw/zinc/75/94/59/840759459.db2.gz ZTMDMYNQSWGRKC-JKSUJKDBSA-N 2 2 361.471 0.884 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369439 840940983 /nfs/dbraw/zinc/94/09/83/840940983.db2.gz XMZQNUZREUYORR-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369439 840940990 /nfs/dbraw/zinc/94/09/90/840940990.db2.gz XMZQNUZREUYORR-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369439 840940993 /nfs/dbraw/zinc/94/09/93/840940993.db2.gz XMZQNUZREUYORR-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369439 840941000 /nfs/dbraw/zinc/94/10/00/840941000.db2.gz XMZQNUZREUYORR-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373243 840945776 /nfs/dbraw/zinc/94/57/76/840945776.db2.gz XFJGHABHQVBNGJ-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373243 840945782 /nfs/dbraw/zinc/94/57/82/840945782.db2.gz XFJGHABHQVBNGJ-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373243 840945789 /nfs/dbraw/zinc/94/57/89/840945789.db2.gz XFJGHABHQVBNGJ-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373243 840945793 /nfs/dbraw/zinc/94/57/93/840945793.db2.gz XFJGHABHQVBNGJ-ZACQAIPSSA-N 2 2 353.413 0.763 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616812 844604604 /nfs/dbraw/zinc/60/46/04/844604604.db2.gz SVISAAWORGSUOL-HUUCEWRRSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616812 844604610 /nfs/dbraw/zinc/60/46/10/844604610.db2.gz SVISAAWORGSUOL-HUUCEWRRSA-N 2 2 368.503 0.392 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001083499429 841081474 /nfs/dbraw/zinc/08/14/74/841081474.db2.gz WWHCNWWXJHUMAA-CABCVRRESA-N 2 2 363.487 0.481 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001083499429 841081476 /nfs/dbraw/zinc/08/14/76/841081476.db2.gz WWHCNWWXJHUMAA-CABCVRRESA-N 2 2 363.487 0.481 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573697 841186689 /nfs/dbraw/zinc/18/66/89/841186689.db2.gz RSEGXNIWMHDJQS-ZACQAIPSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573697 841186699 /nfs/dbraw/zinc/18/66/99/841186699.db2.gz RSEGXNIWMHDJQS-ZACQAIPSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573697 841186707 /nfs/dbraw/zinc/18/67/07/841186707.db2.gz RSEGXNIWMHDJQS-ZACQAIPSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573697 841186714 /nfs/dbraw/zinc/18/67/14/841186714.db2.gz RSEGXNIWMHDJQS-ZACQAIPSSA-N 2 2 350.463 0.691 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1)OC ZINC001083647516 841274314 /nfs/dbraw/zinc/27/43/14/841274314.db2.gz GWTMYMAMAGVNEN-LXZKKBNFSA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1)OC ZINC001083647516 841274320 /nfs/dbraw/zinc/27/43/20/841274320.db2.gz GWTMYMAMAGVNEN-LXZKKBNFSA-N 2 2 350.463 0.348 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778281 841422486 /nfs/dbraw/zinc/42/24/86/841422486.db2.gz HJTBXPAKGAIZOC-VUCTXSBTSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778281 841422491 /nfs/dbraw/zinc/42/24/91/841422491.db2.gz HJTBXPAKGAIZOC-VUCTXSBTSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778281 841422495 /nfs/dbraw/zinc/42/24/95/841422495.db2.gz HJTBXPAKGAIZOC-VUCTXSBTSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778281 841422502 /nfs/dbraw/zinc/42/25/02/841422502.db2.gz HJTBXPAKGAIZOC-VUCTXSBTSA-N 2 2 350.463 0.691 20 0 FCADLP CC1(C)CO[C@H](C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782691 841431793 /nfs/dbraw/zinc/43/17/93/841431793.db2.gz HESUKDWZAPYKAT-XHSDSOJGSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CO[C@H](C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782691 841431800 /nfs/dbraw/zinc/43/18/00/841431800.db2.gz HESUKDWZAPYKAT-XHSDSOJGSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782691 841431805 /nfs/dbraw/zinc/43/18/05/841431805.db2.gz HESUKDWZAPYKAT-XHSDSOJGSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782691 841431811 /nfs/dbraw/zinc/43/18/11/841431811.db2.gz HESUKDWZAPYKAT-XHSDSOJGSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782782 841432181 /nfs/dbraw/zinc/43/21/81/841432181.db2.gz LMLZUFGEKZFZAF-HZSPNIEDSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782782 841432185 /nfs/dbraw/zinc/43/21/85/841432185.db2.gz LMLZUFGEKZFZAF-HZSPNIEDSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782782 841432189 /nfs/dbraw/zinc/43/21/89/841432189.db2.gz LMLZUFGEKZFZAF-HZSPNIEDSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782782 841432193 /nfs/dbraw/zinc/43/21/93/841432193.db2.gz LMLZUFGEKZFZAF-HZSPNIEDSA-N 2 2 361.433 0.304 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083826514 841467967 /nfs/dbraw/zinc/46/79/67/841467967.db2.gz XJCUXYNXDXMURF-CABCVRRESA-N 2 2 363.487 0.867 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083826514 841467968 /nfs/dbraw/zinc/46/79/68/841467968.db2.gz XJCUXYNXDXMURF-CABCVRRESA-N 2 2 363.487 0.867 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887643 841534770 /nfs/dbraw/zinc/53/47/70/841534770.db2.gz CZOQKEXYIJMHPQ-CVEARBPZSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887643 841534778 /nfs/dbraw/zinc/53/47/78/841534778.db2.gz CZOQKEXYIJMHPQ-CVEARBPZSA-N 2 2 366.531 0.887 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083887738 841535174 /nfs/dbraw/zinc/53/51/74/841535174.db2.gz IXUZQSDTURTFMV-QLFBSQMISA-N 2 2 361.433 0.304 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083887738 841535181 /nfs/dbraw/zinc/53/51/81/841535181.db2.gz IXUZQSDTURTFMV-QLFBSQMISA-N 2 2 361.433 0.304 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954935 841601719 /nfs/dbraw/zinc/60/17/19/841601719.db2.gz OUUKJJWGJCYHLW-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954935 841601724 /nfs/dbraw/zinc/60/17/24/841601724.db2.gz OUUKJJWGJCYHLW-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954935 841601731 /nfs/dbraw/zinc/60/17/31/841601731.db2.gz OUUKJJWGJCYHLW-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954935 841601736 /nfs/dbraw/zinc/60/17/36/841601736.db2.gz OUUKJJWGJCYHLW-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001084052894 841666838 /nfs/dbraw/zinc/66/68/38/841666838.db2.gz LGQXBVVVZIZGPH-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001084052894 841666841 /nfs/dbraw/zinc/66/68/41/841666841.db2.gz LGQXBVVVZIZGPH-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001084052894 841666844 /nfs/dbraw/zinc/66/68/44/841666844.db2.gz LGQXBVVVZIZGPH-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)o1 ZINC001084052894 841666847 /nfs/dbraw/zinc/66/68/47/841666847.db2.gz LGQXBVVVZIZGPH-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001084052674 841667074 /nfs/dbraw/zinc/66/70/74/841667074.db2.gz CVCOVKITKYSUGH-IMJJTQAJSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001084052674 841667082 /nfs/dbraw/zinc/66/70/82/841667082.db2.gz CVCOVKITKYSUGH-IMJJTQAJSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1F ZINC001084052674 841667086 /nfs/dbraw/zinc/66/70/86/841667086.db2.gz CVCOVKITKYSUGH-IMJJTQAJSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1F ZINC001084052674 841667092 /nfs/dbraw/zinc/66/70/92/841667092.db2.gz CVCOVKITKYSUGH-IMJJTQAJSA-N 2 2 351.422 0.447 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085044033 841996081 /nfs/dbraw/zinc/99/60/81/841996081.db2.gz VUXXGEXUWAZRIJ-LZWOXQAQSA-N 2 2 366.487 0.310 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085044033 841996093 /nfs/dbraw/zinc/99/60/93/841996093.db2.gz VUXXGEXUWAZRIJ-LZWOXQAQSA-N 2 2 366.487 0.310 20 0 FCADLP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159072 842029593 /nfs/dbraw/zinc/02/95/93/842029593.db2.gz GSGKVBQFQJMWSG-MCIONIFRSA-N 2 2 369.897 0.921 20 0 FCADLP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159072 842029603 /nfs/dbraw/zinc/02/96/03/842029603.db2.gz GSGKVBQFQJMWSG-MCIONIFRSA-N 2 2 369.897 0.921 20 0 FCADLP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159425 842029858 /nfs/dbraw/zinc/02/98/58/842029858.db2.gz TVSBDSGSVPPYAL-MGPQQGTHSA-N 2 2 353.492 0.694 20 0 FCADLP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159425 842029865 /nfs/dbraw/zinc/02/98/65/842029865.db2.gz TVSBDSGSVPPYAL-MGPQQGTHSA-N 2 2 353.492 0.694 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001085374675 842089477 /nfs/dbraw/zinc/08/94/77/842089477.db2.gz CTNLFXKDRRYHBP-RBSFLKMASA-N 2 2 368.503 0.794 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085374815 842089619 /nfs/dbraw/zinc/08/96/19/842089619.db2.gz KJVRLNITDXRDCG-BFHYXJOUSA-N 2 2 354.476 0.404 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119863 842121914 /nfs/dbraw/zinc/12/19/14/842121914.db2.gz CWUIAYPTQLNBHI-QFCKPIOYSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119863 842121916 /nfs/dbraw/zinc/12/19/16/842121916.db2.gz CWUIAYPTQLNBHI-QFCKPIOYSA-N 2 2 351.451 0.643 20 0 FCADLP COc1ncc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)s1 ZINC001275979557 861277030 /nfs/dbraw/zinc/27/70/30/861277030.db2.gz IQUBDHWIVGLOEX-KRWDZBQOSA-N 2 2 368.503 0.764 20 0 FCADLP COc1ncc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)s1 ZINC001275979557 861277043 /nfs/dbraw/zinc/27/70/43/861277043.db2.gz IQUBDHWIVGLOEX-KRWDZBQOSA-N 2 2 368.503 0.764 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087070667 842264820 /nfs/dbraw/zinc/26/48/20/842264820.db2.gz BZWOVRLAHALAPO-UKRRQHHQSA-N 2 2 364.475 0.778 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087097084 842286948 /nfs/dbraw/zinc/28/69/48/842286948.db2.gz UZIDPEXNXYLQRH-IUODEOHRSA-N 2 2 364.475 0.467 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087699761 842409136 /nfs/dbraw/zinc/40/91/36/842409136.db2.gz KFVVWLUFYQSGGC-YHUYYLMFSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1CCS(C)(=O)=O ZINC001087699761 842409142 /nfs/dbraw/zinc/40/91/42/842409142.db2.gz KFVVWLUFYQSGGC-YHUYYLMFSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1CCS(C)(=O)=O ZINC001087699761 842409146 /nfs/dbraw/zinc/40/91/46/842409146.db2.gz KFVVWLUFYQSGGC-YHUYYLMFSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCS(C)(=O)=O ZINC001087699761 842409153 /nfs/dbraw/zinc/40/91/53/842409153.db2.gz KFVVWLUFYQSGGC-YHUYYLMFSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087829480 842442684 /nfs/dbraw/zinc/44/26/84/842442684.db2.gz FRIYJNZXKFBNSO-HRCADAONSA-N 2 2 357.520 0.486 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087829480 842442686 /nfs/dbraw/zinc/44/26/86/842442686.db2.gz FRIYJNZXKFBNSO-HRCADAONSA-N 2 2 357.520 0.486 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920566 842471171 /nfs/dbraw/zinc/47/11/71/842471171.db2.gz UENNLKQQGHTYTA-QLFBSQMISA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920566 842471175 /nfs/dbraw/zinc/47/11/75/842471175.db2.gz UENNLKQQGHTYTA-QLFBSQMISA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920566 842471180 /nfs/dbraw/zinc/47/11/80/842471180.db2.gz UENNLKQQGHTYTA-QLFBSQMISA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920566 842471181 /nfs/dbraw/zinc/47/11/81/842471181.db2.gz UENNLKQQGHTYTA-QLFBSQMISA-N 2 2 365.503 0.457 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001088750258 842666117 /nfs/dbraw/zinc/66/61/17/842666117.db2.gz DNXATABMEDROND-ZBFHGGJFSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001088750258 842666123 /nfs/dbraw/zinc/66/61/23/842666123.db2.gz DNXATABMEDROND-ZBFHGGJFSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750601 842666324 /nfs/dbraw/zinc/66/63/24/842666324.db2.gz WKEMOPUHLVBQHW-ILXRZTDVSA-N 2 2 354.476 0.205 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750601 842666329 /nfs/dbraw/zinc/66/63/29/842666329.db2.gz WKEMOPUHLVBQHW-ILXRZTDVSA-N 2 2 354.476 0.205 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088939323 842724087 /nfs/dbraw/zinc/72/40/87/842724087.db2.gz JZQIZMDLTHRCFP-IKGGRYGDSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088939323 842724094 /nfs/dbraw/zinc/72/40/94/842724094.db2.gz JZQIZMDLTHRCFP-IKGGRYGDSA-N 2 2 371.547 0.732 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041069 842751945 /nfs/dbraw/zinc/75/19/45/842751945.db2.gz BGPRKKYBZQXGFT-SNPRPXQTSA-N 2 2 354.476 0.205 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041069 842751956 /nfs/dbraw/zinc/75/19/56/842751956.db2.gz BGPRKKYBZQXGFT-SNPRPXQTSA-N 2 2 354.476 0.205 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001089074187 842766705 /nfs/dbraw/zinc/76/67/05/842766705.db2.gz LTMWFSPGOTUWLQ-HIFRSBDPSA-N 2 2 354.476 0.287 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001089074187 842766711 /nfs/dbraw/zinc/76/67/11/842766711.db2.gz LTMWFSPGOTUWLQ-HIFRSBDPSA-N 2 2 354.476 0.287 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC001091035871 842935649 /nfs/dbraw/zinc/93/56/49/842935649.db2.gz MEGYOTKMNZNPMB-BLYZHGLHSA-N 2 2 366.535 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC001091035871 842935653 /nfs/dbraw/zinc/93/56/53/842935653.db2.gz MEGYOTKMNZNPMB-BLYZHGLHSA-N 2 2 366.535 0.929 20 0 FCADLP O=C(NCC1CC([NH2+]CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001091159172 842988854 /nfs/dbraw/zinc/98/88/54/842988854.db2.gz YZXAMEZMSQLSMS-HIEASXQVSA-N 2 2 351.491 0.761 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565084 843040954 /nfs/dbraw/zinc/04/09/54/843040954.db2.gz DSFBNYJGHASTNU-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565084 843040963 /nfs/dbraw/zinc/04/09/63/843040963.db2.gz DSFBNYJGHASTNU-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565084 843040977 /nfs/dbraw/zinc/04/09/77/843040977.db2.gz DSFBNYJGHASTNU-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565084 843040990 /nfs/dbraw/zinc/04/09/90/843040990.db2.gz DSFBNYJGHASTNU-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)on1 ZINC001092523369 843228610 /nfs/dbraw/zinc/22/86/10/843228610.db2.gz HZSBZDXFBKVHHB-NFAWXSAZSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)on1 ZINC001092523369 843228622 /nfs/dbraw/zinc/22/86/22/843228622.db2.gz HZSBZDXFBKVHHB-NFAWXSAZSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)on1 ZINC001092523369 843228633 /nfs/dbraw/zinc/22/86/33/843228633.db2.gz HZSBZDXFBKVHHB-NFAWXSAZSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)on1 ZINC001092523369 843228639 /nfs/dbraw/zinc/22/86/39/843228639.db2.gz HZSBZDXFBKVHHB-NFAWXSAZSA-N 2 2 352.435 0.198 20 0 FCADLP CC(C)[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848026 843319766 /nfs/dbraw/zinc/31/97/66/843319766.db2.gz LLRZLLHBHRXTAY-TVFCKZIOSA-N 2 2 353.507 0.959 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848026 843319780 /nfs/dbraw/zinc/31/97/80/843319780.db2.gz LLRZLLHBHRXTAY-TVFCKZIOSA-N 2 2 353.507 0.959 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001093691419 843456678 /nfs/dbraw/zinc/45/66/78/843456678.db2.gz UTMOASUQZVOHBL-XNRPHZJLSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001093691419 843456684 /nfs/dbraw/zinc/45/66/84/843456684.db2.gz UTMOASUQZVOHBL-XNRPHZJLSA-N 2 2 352.504 0.966 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001095242450 843711489 /nfs/dbraw/zinc/71/14/89/843711489.db2.gz PJNZQMNQBOFWOK-LTIDMASMSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001095242450 843711494 /nfs/dbraw/zinc/71/14/94/843711494.db2.gz PJNZQMNQBOFWOK-LTIDMASMSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001095242450 843711504 /nfs/dbraw/zinc/71/15/04/843711504.db2.gz PJNZQMNQBOFWOK-LTIDMASMSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001095242450 843711509 /nfs/dbraw/zinc/71/15/09/843711509.db2.gz PJNZQMNQBOFWOK-LTIDMASMSA-N 2 2 369.531 0.627 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001098400510 843914178 /nfs/dbraw/zinc/91/41/78/843914178.db2.gz DSDJPQWTYYPPAY-JJXSEGSLSA-N 2 2 355.504 0.238 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001098400510 843914184 /nfs/dbraw/zinc/91/41/84/843914184.db2.gz DSDJPQWTYYPPAY-JJXSEGSLSA-N 2 2 355.504 0.238 20 0 FCADLP CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398486 843914306 /nfs/dbraw/zinc/91/43/06/843914306.db2.gz XGRPDUPNKGEXPO-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398486 843914314 /nfs/dbraw/zinc/91/43/14/843914314.db2.gz XGRPDUPNKGEXPO-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398486 843914319 /nfs/dbraw/zinc/91/43/19/843914319.db2.gz XGRPDUPNKGEXPO-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398486 843914326 /nfs/dbraw/zinc/91/43/26/843914326.db2.gz XGRPDUPNKGEXPO-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001098407324 843915685 /nfs/dbraw/zinc/91/56/85/843915685.db2.gz DVRWDOOJPCFDGU-JJXSEGSLSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001098407324 843915689 /nfs/dbraw/zinc/91/56/89/843915689.db2.gz DVRWDOOJPCFDGU-JJXSEGSLSA-N 2 2 366.487 0.348 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099244432 843987182 /nfs/dbraw/zinc/98/71/82/843987182.db2.gz JPXLTBPPZDARGN-OUAUKWLOSA-N 2 2 361.368 0.585 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C(F)(F)F ZINC001099274459 844000187 /nfs/dbraw/zinc/00/01/87/844000187.db2.gz KGLKEMZMIMCGFR-VXGBXAGGSA-N 2 2 355.320 0.412 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001103473814 844763007 /nfs/dbraw/zinc/76/30/07/844763007.db2.gz UMHNJOAGLKTBLV-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001103473814 844763012 /nfs/dbraw/zinc/76/30/12/844763012.db2.gz UMHNJOAGLKTBLV-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP COC[C@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+](C)C ZINC001276610822 861499256 /nfs/dbraw/zinc/49/92/56/861499256.db2.gz RQXMZJRUJINTKV-QAPCUYQASA-N 2 2 355.479 0.583 20 0 FCADLP COC[C@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+](C)C ZINC001276610822 861499261 /nfs/dbraw/zinc/49/92/61/861499261.db2.gz RQXMZJRUJINTKV-QAPCUYQASA-N 2 2 355.479 0.583 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001103779706 844823520 /nfs/dbraw/zinc/82/35/20/844823520.db2.gz FEUIWOPAXYQOCM-ARFHVFGLSA-N 2 2 370.519 0.638 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001103779706 844823525 /nfs/dbraw/zinc/82/35/25/844823525.db2.gz FEUIWOPAXYQOCM-ARFHVFGLSA-N 2 2 370.519 0.638 20 0 FCADLP Cc1ncoc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033630 844856188 /nfs/dbraw/zinc/85/61/88/844856188.db2.gz AHHUHMZPINVSIQ-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncoc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033630 844856189 /nfs/dbraw/zinc/85/61/89/844856189.db2.gz AHHUHMZPINVSIQ-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033863 844856365 /nfs/dbraw/zinc/85/63/65/844856365.db2.gz JRHFBHYPVUNHIY-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033863 844856369 /nfs/dbraw/zinc/85/63/69/844856369.db2.gz JRHFBHYPVUNHIY-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104034219 844857439 /nfs/dbraw/zinc/85/74/39/844857439.db2.gz YJVZLGSOPAFLIC-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104034219 844857444 /nfs/dbraw/zinc/85/74/44/844857444.db2.gz YJVZLGSOPAFLIC-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104347130 844896019 /nfs/dbraw/zinc/89/60/19/844896019.db2.gz QJQPLIWIQLXCAT-KBUPBQIOSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104347130 844896023 /nfs/dbraw/zinc/89/60/23/844896023.db2.gz QJQPLIWIQLXCAT-KBUPBQIOSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCO ZINC001104452779 844913725 /nfs/dbraw/zinc/91/37/25/844913725.db2.gz UVEJCLGCCUGZPD-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCO ZINC001104452779 844913733 /nfs/dbraw/zinc/91/37/33/844913733.db2.gz UVEJCLGCCUGZPD-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001104836650 844950345 /nfs/dbraw/zinc/95/03/45/844950345.db2.gz WXPMVMJXFUNLTE-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001105105029 844980638 /nfs/dbraw/zinc/98/06/38/844980638.db2.gz KQWLHDIAJZWHQJ-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP CC[C@H](F)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105244004 844984631 /nfs/dbraw/zinc/98/46/31/844984631.db2.gz NIECZGZITXAZIK-DVOMOZLQSA-N 2 2 352.458 0.839 20 0 FCADLP CC[C@H](F)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105244004 844984637 /nfs/dbraw/zinc/98/46/37/844984637.db2.gz NIECZGZITXAZIK-DVOMOZLQSA-N 2 2 352.458 0.839 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106274740 845146535 /nfs/dbraw/zinc/14/65/35/845146535.db2.gz RUGQYNRNERIXMN-AAVRWANBSA-N 2 2 354.476 0.242 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106274740 845146542 /nfs/dbraw/zinc/14/65/42/845146542.db2.gz RUGQYNRNERIXMN-AAVRWANBSA-N 2 2 354.476 0.242 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106340276 845159537 /nfs/dbraw/zinc/15/95/37/845159537.db2.gz RBZQQUMQWIXSIT-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106343186 845160472 /nfs/dbraw/zinc/16/04/72/845160472.db2.gz TXCNEXPVFIQALO-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106655307 845215339 /nfs/dbraw/zinc/21/53/39/845215339.db2.gz JZDUZULSMGOKEV-MGPQQGTHSA-N 2 2 368.503 0.558 20 0 FCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001106721995 845232150 /nfs/dbraw/zinc/23/21/50/845232150.db2.gz PPHRWXYZVUUVMB-IXDOHACOSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001106800890 845256992 /nfs/dbraw/zinc/25/69/92/845256992.db2.gz NOQQPEDGJVUTLK-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](CCS(C)(=O)=O)CC2)C1=O ZINC001276743312 861570344 /nfs/dbraw/zinc/57/03/44/861570344.db2.gz KHOZSAWGPSLIKK-KRWDZBQOSA-N 2 2 368.503 0.669 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](CCS(C)(=O)=O)CC2)C1=O ZINC001276743312 861570358 /nfs/dbraw/zinc/57/03/58/861570358.db2.gz KHOZSAWGPSLIKK-KRWDZBQOSA-N 2 2 368.503 0.669 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCC(F)F)CCO2)CC[N@@H+]1C ZINC001107952872 845419045 /nfs/dbraw/zinc/41/90/45/845419045.db2.gz MOAOTUJEEJGSGT-CPUCHLNUSA-N 2 2 363.449 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCC(F)F)CCO2)CC[N@H+]1C ZINC001107952872 845419047 /nfs/dbraw/zinc/41/90/47/845419047.db2.gz MOAOTUJEEJGSGT-CPUCHLNUSA-N 2 2 363.449 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCOCC(F)F)CCO2)CC[NH+]1C ZINC001107952872 845419050 /nfs/dbraw/zinc/41/90/50/845419050.db2.gz MOAOTUJEEJGSGT-CPUCHLNUSA-N 2 2 363.449 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCOCC(F)F)CCO2)CC[NH+]1C ZINC001107952872 845419051 /nfs/dbraw/zinc/41/90/51/845419051.db2.gz MOAOTUJEEJGSGT-CPUCHLNUSA-N 2 2 363.449 0.815 20 0 FCADLP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001276756649 861582556 /nfs/dbraw/zinc/58/25/56/861582556.db2.gz XTIXQIVISLHWFR-BZUAXINKSA-N 2 2 353.463 0.334 20 0 FCADLP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001276756649 861582561 /nfs/dbraw/zinc/58/25/61/861582561.db2.gz XTIXQIVISLHWFR-BZUAXINKSA-N 2 2 353.463 0.334 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(CC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758173 861585873 /nfs/dbraw/zinc/58/58/73/861585873.db2.gz VEYPNSWKKQZMCO-IBGZPJMESA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(CC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758173 861585884 /nfs/dbraw/zinc/58/58/84/861585884.db2.gz VEYPNSWKKQZMCO-IBGZPJMESA-N 2 2 351.491 0.999 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305785 845618564 /nfs/dbraw/zinc/61/85/64/845618564.db2.gz PUOUBAOOUDVDPK-MTSZKFMLSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305785 845618570 /nfs/dbraw/zinc/61/85/70/845618570.db2.gz PUOUBAOOUDVDPK-MTSZKFMLSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305785 845618575 /nfs/dbraw/zinc/61/85/75/845618575.db2.gz PUOUBAOOUDVDPK-MTSZKFMLSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305785 845618582 /nfs/dbraw/zinc/61/85/82/845618582.db2.gz PUOUBAOOUDVDPK-MTSZKFMLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109405974 845645055 /nfs/dbraw/zinc/64/50/55/845645055.db2.gz JGJHWUIHQXTBGV-CVYDXHPNSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109405974 845645061 /nfs/dbraw/zinc/64/50/61/845645061.db2.gz JGJHWUIHQXTBGV-CVYDXHPNSA-N 2 2 350.507 0.820 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473832 845668791 /nfs/dbraw/zinc/66/87/91/845668791.db2.gz HDSTZOCWYRODRZ-QZWWFDLISA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473832 845668795 /nfs/dbraw/zinc/66/87/95/845668795.db2.gz HDSTZOCWYRODRZ-QZWWFDLISA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473832 845668803 /nfs/dbraw/zinc/66/88/03/845668803.db2.gz HDSTZOCWYRODRZ-QZWWFDLISA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473832 845668807 /nfs/dbraw/zinc/66/88/07/845668807.db2.gz HDSTZOCWYRODRZ-QZWWFDLISA-N 2 2 350.507 0.964 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653192 845705980 /nfs/dbraw/zinc/70/59/80/845705980.db2.gz QOTOFYOGQYHWNO-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653192 845705984 /nfs/dbraw/zinc/70/59/84/845705984.db2.gz QOTOFYOGQYHWNO-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669312 845711494 /nfs/dbraw/zinc/71/14/94/845711494.db2.gz XATSHDCZBSCDGU-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669312 845711501 /nfs/dbraw/zinc/71/15/01/845711501.db2.gz XATSHDCZBSCDGU-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718948 845721030 /nfs/dbraw/zinc/72/10/30/845721030.db2.gz PHBRXQAHGNJKKF-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718948 845721033 /nfs/dbraw/zinc/72/10/33/845721033.db2.gz PHBRXQAHGNJKKF-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109718948 845721036 /nfs/dbraw/zinc/72/10/36/845721036.db2.gz PHBRXQAHGNJKKF-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109718948 845721039 /nfs/dbraw/zinc/72/10/39/845721039.db2.gz PHBRXQAHGNJKKF-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001109728826 845722920 /nfs/dbraw/zinc/72/29/20/845722920.db2.gz FESDTFLRDLZHJW-ILXRZTDVSA-N 2 2 374.551 0.235 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001109728826 845722926 /nfs/dbraw/zinc/72/29/26/845722926.db2.gz FESDTFLRDLZHJW-ILXRZTDVSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001109728826 845722935 /nfs/dbraw/zinc/72/29/35/845722935.db2.gz FESDTFLRDLZHJW-ILXRZTDVSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001109728826 845722941 /nfs/dbraw/zinc/72/29/41/845722941.db2.gz FESDTFLRDLZHJW-ILXRZTDVSA-N 2 2 374.551 0.235 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110158249 845807551 /nfs/dbraw/zinc/80/75/51/845807551.db2.gz JFQYTDDZRQCKOC-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110158249 845807559 /nfs/dbraw/zinc/80/75/59/845807559.db2.gz JFQYTDDZRQCKOC-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110158249 845807572 /nfs/dbraw/zinc/80/75/72/845807572.db2.gz JFQYTDDZRQCKOC-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110158249 845807584 /nfs/dbraw/zinc/80/75/84/845807584.db2.gz JFQYTDDZRQCKOC-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158054 845807627 /nfs/dbraw/zinc/80/76/27/845807627.db2.gz GFMMDYVXCRBMLP-MUQADHOPSA-N 2 2 350.507 0.964 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158054 845807637 /nfs/dbraw/zinc/80/76/37/845807637.db2.gz GFMMDYVXCRBMLP-MUQADHOPSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386169 845875936 /nfs/dbraw/zinc/87/59/36/845875936.db2.gz HUKQGWHIWVQIHV-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386169 845875946 /nfs/dbraw/zinc/87/59/46/845875946.db2.gz HUKQGWHIWVQIHV-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110386169 845875954 /nfs/dbraw/zinc/87/59/54/845875954.db2.gz HUKQGWHIWVQIHV-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110386169 845875962 /nfs/dbraw/zinc/87/59/62/845875962.db2.gz HUKQGWHIWVQIHV-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001110417254 845885624 /nfs/dbraw/zinc/88/56/24/845885624.db2.gz QNEUMMCSDSAGRN-BDXSIMOUSA-N 2 2 351.491 0.855 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001110417254 845885631 /nfs/dbraw/zinc/88/56/31/845885631.db2.gz QNEUMMCSDSAGRN-BDXSIMOUSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)C1 ZINC001110417254 845885640 /nfs/dbraw/zinc/88/56/40/845885640.db2.gz QNEUMMCSDSAGRN-BDXSIMOUSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CCC2)C1 ZINC001110417254 845885649 /nfs/dbraw/zinc/88/56/49/845885649.db2.gz QNEUMMCSDSAGRN-BDXSIMOUSA-N 2 2 351.491 0.855 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001110576467 845921989 /nfs/dbraw/zinc/92/19/89/845921989.db2.gz KHPUMDOFVRGERZ-JJTUDDRGSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001110576467 845921996 /nfs/dbraw/zinc/92/19/96/845921996.db2.gz KHPUMDOFVRGERZ-JJTUDDRGSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001110576467 845921998 /nfs/dbraw/zinc/92/19/98/845921998.db2.gz KHPUMDOFVRGERZ-JJTUDDRGSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001110576467 845922007 /nfs/dbraw/zinc/92/20/07/845922007.db2.gz KHPUMDOFVRGERZ-JJTUDDRGSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2)CS(C)(=O)=O ZINC001110664917 845943416 /nfs/dbraw/zinc/94/34/16/845943416.db2.gz FBZPUZGDSRXPEB-FPCVCCKLSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2)CS(C)(=O)=O ZINC001110664917 845943421 /nfs/dbraw/zinc/94/34/21/845943421.db2.gz FBZPUZGDSRXPEB-FPCVCCKLSA-N 2 2 371.547 0.873 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666507 845945205 /nfs/dbraw/zinc/94/52/05/845945205.db2.gz NVCLVKGWOKIALL-XLMAVXFVSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666507 845945215 /nfs/dbraw/zinc/94/52/15/845945215.db2.gz NVCLVKGWOKIALL-XLMAVXFVSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956517 846002414 /nfs/dbraw/zinc/00/24/14/846002414.db2.gz MGRRTUDGHCQELG-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956517 846002422 /nfs/dbraw/zinc/00/24/22/846002422.db2.gz MGRRTUDGHCQELG-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001110981097 846007461 /nfs/dbraw/zinc/00/74/61/846007461.db2.gz JDTUVNNKOAXDFT-KFWWJZLASA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001110981097 846007463 /nfs/dbraw/zinc/00/74/63/846007463.db2.gz JDTUVNNKOAXDFT-KFWWJZLASA-N 2 2 357.520 0.484 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001111030818 846018100 /nfs/dbraw/zinc/01/81/00/846018100.db2.gz FESDTFLRDLZHJW-KFWWJZLASA-N 2 2 374.551 0.235 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001111030818 846018108 /nfs/dbraw/zinc/01/81/08/846018108.db2.gz FESDTFLRDLZHJW-KFWWJZLASA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001111030818 846018117 /nfs/dbraw/zinc/01/81/17/846018117.db2.gz FESDTFLRDLZHJW-KFWWJZLASA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O)CC(C)(C)C ZINC001111030818 846018124 /nfs/dbraw/zinc/01/81/24/846018124.db2.gz FESDTFLRDLZHJW-KFWWJZLASA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC1 ZINC001111099384 846032777 /nfs/dbraw/zinc/03/27/77/846032777.db2.gz DHMISPGXTXWMOM-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC1 ZINC001111099384 846032779 /nfs/dbraw/zinc/03/27/79/846032779.db2.gz DHMISPGXTXWMOM-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146796 846047257 /nfs/dbraw/zinc/04/72/57/846047257.db2.gz ABKXPSWMYUGHKY-FPCVCCKLSA-N 2 2 352.479 0.084 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146796 846047269 /nfs/dbraw/zinc/04/72/69/846047269.db2.gz ABKXPSWMYUGHKY-FPCVCCKLSA-N 2 2 352.479 0.084 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)F ZINC001111151998 846048733 /nfs/dbraw/zinc/04/87/33/846048733.db2.gz NXDYNJCLLLHOCQ-KFWWJZLASA-N 2 2 361.433 0.712 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC(F)F ZINC001111151998 846048737 /nfs/dbraw/zinc/04/87/37/846048737.db2.gz NXDYNJCLLLHOCQ-KFWWJZLASA-N 2 2 361.433 0.712 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169396 846054086 /nfs/dbraw/zinc/05/40/86/846054086.db2.gz RHFHLINAHJLNTN-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169396 846054091 /nfs/dbraw/zinc/05/40/91/846054091.db2.gz RHFHLINAHJLNTN-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)CC ZINC001111234264 846066714 /nfs/dbraw/zinc/06/67/14/846066714.db2.gz FDYQOOSNEITMRH-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(=O)(=O)CC ZINC001111234264 846066716 /nfs/dbraw/zinc/06/67/16/846066716.db2.gz FDYQOOSNEITMRH-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(=O)(=O)CC ZINC001111234264 846066717 /nfs/dbraw/zinc/06/67/17/846066717.db2.gz FDYQOOSNEITMRH-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(=O)(=O)CC ZINC001111234264 846066726 /nfs/dbraw/zinc/06/67/26/846066726.db2.gz FDYQOOSNEITMRH-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678688 846173550 /nfs/dbraw/zinc/17/35/50/846173550.db2.gz PXDKUPYYTRWTBR-LNLFQRSKSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678688 846173554 /nfs/dbraw/zinc/17/35/54/846173554.db2.gz PXDKUPYYTRWTBR-LNLFQRSKSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678688 846173557 /nfs/dbraw/zinc/17/35/57/846173557.db2.gz PXDKUPYYTRWTBR-LNLFQRSKSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678688 846173563 /nfs/dbraw/zinc/17/35/63/846173563.db2.gz PXDKUPYYTRWTBR-LNLFQRSKSA-N 2 2 353.507 0.960 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112070872 846348424 /nfs/dbraw/zinc/34/84/24/846348424.db2.gz JHJBMPWOBIWZAH-UTUOFQBUSA-N 2 2 371.425 0.104 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112070872 846348435 /nfs/dbraw/zinc/34/84/35/846348435.db2.gz JHJBMPWOBIWZAH-UTUOFQBUSA-N 2 2 371.425 0.104 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090509 846371116 /nfs/dbraw/zinc/37/11/16/846371116.db2.gz KDAQEKUFFXWSOA-HBNTYKKESA-N 2 2 361.368 0.456 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131110 846407132 /nfs/dbraw/zinc/40/71/32/846407132.db2.gz KFZSQYMWMPFRAI-VXGBXAGGSA-N 2 2 361.368 0.307 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159883 846426084 /nfs/dbraw/zinc/42/60/84/846426084.db2.gz FYTZPCKMVKLQTM-VXGBXAGGSA-N 2 2 362.400 0.729 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331138 846493804 /nfs/dbraw/zinc/49/38/04/846493804.db2.gz CNWQDFMPXGQKFS-DAYGRLMNSA-N 2 2 350.463 0.568 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493270 846508613 /nfs/dbraw/zinc/50/86/13/846508613.db2.gz SEXBHBPNJQZWFR-SCTDSRPQSA-N 2 2 353.507 0.698 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493270 846508626 /nfs/dbraw/zinc/50/86/26/846508626.db2.gz SEXBHBPNJQZWFR-SCTDSRPQSA-N 2 2 353.507 0.698 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112503398 846509648 /nfs/dbraw/zinc/50/96/48/846509648.db2.gz OINFUUBZPVCCQE-WMZOPIPTSA-N 2 2 350.463 0.500 20 0 FCADLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001116326736 846655995 /nfs/dbraw/zinc/65/59/95/846655995.db2.gz AVSXKLPQIBTQOB-UHFFFAOYSA-N 2 2 351.447 0.448 20 0 FCADLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OCC(N)=O ZINC001116326736 846655999 /nfs/dbraw/zinc/65/59/99/846655999.db2.gz AVSXKLPQIBTQOB-UHFFFAOYSA-N 2 2 351.447 0.448 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001118378331 847404104 /nfs/dbraw/zinc/40/41/04/847404104.db2.gz DMBMNDOYYPPCNS-GJZGRUSLSA-N 2 2 366.487 0.828 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001118378331 847404108 /nfs/dbraw/zinc/40/41/08/847404108.db2.gz DMBMNDOYYPPCNS-GJZGRUSLSA-N 2 2 366.487 0.828 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)CN1CC[NH+]1CCOCC1 ZINC001120496194 848220534 /nfs/dbraw/zinc/22/05/34/848220534.db2.gz XPWVSHOQZFJDMR-IAGOWNOFSA-N 2 2 367.877 0.896 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053132 848801111 /nfs/dbraw/zinc/80/11/11/848801111.db2.gz RYNGCIALZSJECW-VGIHJYSNSA-N 2 2 352.870 0.712 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053132 848801113 /nfs/dbraw/zinc/80/11/13/848801113.db2.gz RYNGCIALZSJECW-VGIHJYSNSA-N 2 2 352.870 0.712 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129209547 848818276 /nfs/dbraw/zinc/81/82/76/848818276.db2.gz JVJWIIWWXDBQPN-IVDJAJHCSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129209547 848818280 /nfs/dbraw/zinc/81/82/80/848818280.db2.gz JVJWIIWWXDBQPN-IVDJAJHCSA-N 2 2 352.870 0.714 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891395 848908290 /nfs/dbraw/zinc/90/82/90/848908290.db2.gz KGGJYLUCYOHCKG-HBNTYKKESA-N 2 2 350.341 0.159 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891395 848908298 /nfs/dbraw/zinc/90/82/98/848908298.db2.gz KGGJYLUCYOHCKG-HBNTYKKESA-N 2 2 350.341 0.159 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900498 848912165 /nfs/dbraw/zinc/91/21/65/848912165.db2.gz GGSUIPZPCHUKES-BFHYXJOUSA-N 2 2 351.451 0.150 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001130110109 848946593 /nfs/dbraw/zinc/94/65/93/848946593.db2.gz VKTBJMGZKDGZSD-NUOYGZHNSA-N 2 2 363.853 0.738 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251488 848989387 /nfs/dbraw/zinc/98/93/87/848989387.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 2 2 352.483 0.633 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251488 848989393 /nfs/dbraw/zinc/98/93/93/848989393.db2.gz XUIFWFLVANUGAZ-KBPBESRZSA-N 2 2 352.483 0.633 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCCC3)n2)O1 ZINC001130817488 849048740 /nfs/dbraw/zinc/04/87/40/849048740.db2.gz PRRBRFIUEQQNCB-UONOGXRCSA-N 2 2 350.467 0.736 20 0 FCADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)sn1 ZINC001131613521 849130956 /nfs/dbraw/zinc/13/09/56/849130956.db2.gz DNJIGPOLHWVFKA-ZBFHGGJFSA-N 2 2 368.503 0.537 20 0 FCADLP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)s1 ZINC001131610924 849131058 /nfs/dbraw/zinc/13/10/58/849131058.db2.gz OAKDWABATZKRHB-ZBFHGGJFSA-N 2 2 368.503 0.537 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001134050012 849171177 /nfs/dbraw/zinc/17/11/77/849171177.db2.gz ZQFKYYJQEMECGF-BFHYXJOUSA-N 2 2 354.476 0.054 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045536 849171293 /nfs/dbraw/zinc/17/12/93/849171293.db2.gz KOMMNNALNNXFSF-GHMZBOCLSA-N 2 2 361.368 0.250 20 0 FCADLP OC[C@@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139760537 849346553 /nfs/dbraw/zinc/34/65/53/849346553.db2.gz RHBZOFRLKHENRT-HKUYNNGSSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139760537 849346560 /nfs/dbraw/zinc/34/65/60/849346560.db2.gz RHBZOFRLKHENRT-HKUYNNGSSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@@H]1C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761836 849348421 /nfs/dbraw/zinc/34/84/21/849348421.db2.gz ODORDSCZEKXNNJ-HKUYNNGSSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761836 849348430 /nfs/dbraw/zinc/34/84/30/849348430.db2.gz ODORDSCZEKXNNJ-HKUYNNGSSA-N 2 2 350.459 0.573 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720562 862035048 /nfs/dbraw/zinc/03/50/48/862035048.db2.gz AOFCBMDAELCMNL-MRXNPFEDSA-N 2 2 350.463 0.595 20 0 FCADLP CC[N@H+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153491236 849748841 /nfs/dbraw/zinc/74/88/41/849748841.db2.gz JSFKEMOSXWYGEG-MGPQQGTHSA-N 2 2 351.451 0.780 20 0 FCADLP CC[N@@H+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153491236 849748847 /nfs/dbraw/zinc/74/88/47/849748847.db2.gz JSFKEMOSXWYGEG-MGPQQGTHSA-N 2 2 351.451 0.780 20 0 FCADLP CC[NH+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153491236 849748851 /nfs/dbraw/zinc/74/88/51/849748851.db2.gz JSFKEMOSXWYGEG-MGPQQGTHSA-N 2 2 351.451 0.780 20 0 FCADLP CC[NH+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153491236 849748857 /nfs/dbraw/zinc/74/88/57/849748857.db2.gz JSFKEMOSXWYGEG-MGPQQGTHSA-N 2 2 351.451 0.780 20 0 FCADLP CC[N@H+](Cc1cc(C)n(C)n1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998132 849773596 /nfs/dbraw/zinc/77/35/96/849773596.db2.gz JTWLEZHBKKHTFD-BFYDXBDKSA-N 2 2 351.495 0.774 20 0 FCADLP CC[N@@H+](Cc1cc(C)n(C)n1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998132 849773600 /nfs/dbraw/zinc/77/36/00/849773600.db2.gz JTWLEZHBKKHTFD-BFYDXBDKSA-N 2 2 351.495 0.774 20 0 FCADLP CC[NH+](Cc1cc(C)n(C)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998132 849773605 /nfs/dbraw/zinc/77/36/05/849773605.db2.gz JTWLEZHBKKHTFD-BFYDXBDKSA-N 2 2 351.495 0.774 20 0 FCADLP CC[NH+](Cc1cc(C)n(C)n1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998132 849773610 /nfs/dbraw/zinc/77/36/10/849773610.db2.gz JTWLEZHBKKHTFD-BFYDXBDKSA-N 2 2 351.495 0.774 20 0 FCADLP C(C[NH+]1CCSCC1)Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001157045485 849942886 /nfs/dbraw/zinc/94/28/86/849942886.db2.gz IRWVOZOVFUOQFK-UHFFFAOYSA-N 2 2 350.492 0.377 20 0 FCADLP CCC[C@@H](C)NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158209118 850023422 /nfs/dbraw/zinc/02/34/22/850023422.db2.gz GRHBCVLYNNAOGT-CHWSQXEVSA-N 2 2 367.475 0.596 20 0 FCADLP NS(=O)(=O)c1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158258738 850029663 /nfs/dbraw/zinc/02/96/63/850029663.db2.gz HUAUANPEHJJBAQ-SNVBAGLBSA-N 2 2 359.883 0.384 20 0 FCADLP NS(=O)(=O)c1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158258738 850029664 /nfs/dbraw/zinc/02/96/64/850029664.db2.gz HUAUANPEHJJBAQ-SNVBAGLBSA-N 2 2 359.883 0.384 20 0 FCADLP NC(=O)c1nc(Cl)nc(Cl)c1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260371 850031001 /nfs/dbraw/zinc/03/10/01/850031001.db2.gz CKLPSAWPPCFSAS-QMMMGPOBSA-N 2 2 359.261 0.884 20 0 FCADLP NC(=O)c1nc(Cl)nc(Cl)c1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260371 850031014 /nfs/dbraw/zinc/03/10/14/850031014.db2.gz CKLPSAWPPCFSAS-QMMMGPOBSA-N 2 2 359.261 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2noc(CCOC)n2)CC[N@@H+]1C ZINC001158403287 850046654 /nfs/dbraw/zinc/04/66/54/850046654.db2.gz COYBVNZDHHVEDH-UONOGXRCSA-N 2 2 353.467 0.585 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2noc(CCOC)n2)CC[N@H+]1C ZINC001158403287 850046663 /nfs/dbraw/zinc/04/66/63/850046663.db2.gz COYBVNZDHHVEDH-UONOGXRCSA-N 2 2 353.467 0.585 20 0 FCADLP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160565 850098145 /nfs/dbraw/zinc/09/81/45/850098145.db2.gz LMEBJNOFSCOCNU-CLCXKQKWSA-N 3 2 350.507 0.476 20 0 FCADLP CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325616 850165731 /nfs/dbraw/zinc/16/57/31/850165731.db2.gz BSCZOGWTBIKZTB-CHWSQXEVSA-N 2 2 350.467 0.707 20 0 FCADLP CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325616 850165734 /nfs/dbraw/zinc/16/57/34/850165734.db2.gz BSCZOGWTBIKZTB-CHWSQXEVSA-N 2 2 350.467 0.707 20 0 FCADLP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160583846 850183272 /nfs/dbraw/zinc/18/32/72/850183272.db2.gz IRWPWTGVHGDIKH-OTJKEOIZSA-N 2 2 350.507 0.998 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611881 850185521 /nfs/dbraw/zinc/18/55/21/850185521.db2.gz XTTMFFHPZPOWMG-INIZCTEOSA-N 2 2 351.472 0.403 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611884 850185855 /nfs/dbraw/zinc/18/58/55/850185855.db2.gz XTTMFFHPZPOWMG-MRXNPFEDSA-N 2 2 351.472 0.403 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795369 862101173 /nfs/dbraw/zinc/10/11/73/862101173.db2.gz WJQVYXNBEQSEQE-SJLPKXTDSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795369 862101177 /nfs/dbraw/zinc/10/11/77/862101177.db2.gz WJQVYXNBEQSEQE-SJLPKXTDSA-N 2 2 350.463 0.593 20 0 FCADLP CCC[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800438 862104077 /nfs/dbraw/zinc/10/40/77/862104077.db2.gz GVGWKDWCYFANSA-WMZOPIPTSA-N 2 2 350.463 0.595 20 0 FCADLP CCC[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800438 862104086 /nfs/dbraw/zinc/10/40/86/862104086.db2.gz GVGWKDWCYFANSA-WMZOPIPTSA-N 2 2 350.463 0.595 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC001161138037 850233511 /nfs/dbraw/zinc/23/35/11/850233511.db2.gz LJMRBPNZAYXMFL-FZMZJTMJSA-N 2 2 356.220 0.552 20 0 FCADLP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380337 850255376 /nfs/dbraw/zinc/25/53/76/850255376.db2.gz URFBMXZQSJZSFI-LSDHHAIUSA-N 3 2 354.495 0.460 20 0 FCADLP [NH3+]C[C@H](O)CC(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161514107 850266722 /nfs/dbraw/zinc/26/67/22/850266722.db2.gz KWWDJFKFKIIZMM-MRXNPFEDSA-N 2 2 351.422 0.643 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001277833368 862120997 /nfs/dbraw/zinc/12/09/97/862120997.db2.gz CUWYMNOZLKHVSG-BRWVUGGUSA-N 2 2 350.463 0.943 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001277833368 862121002 /nfs/dbraw/zinc/12/10/02/862121002.db2.gz CUWYMNOZLKHVSG-BRWVUGGUSA-N 2 2 350.463 0.943 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2COCCOC ZINC001277836179 862123453 /nfs/dbraw/zinc/12/34/53/862123453.db2.gz NUGDSZCPNYRGID-GVDBMIGSSA-N 2 2 357.495 0.375 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2COCCOC ZINC001277836179 862123462 /nfs/dbraw/zinc/12/34/62/862123462.db2.gz NUGDSZCPNYRGID-GVDBMIGSSA-N 2 2 357.495 0.375 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837494 862124728 /nfs/dbraw/zinc/12/47/28/862124728.db2.gz YSVOZSOBRXKJNM-MJGOQNOKSA-N 2 2 353.507 0.959 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837494 862124734 /nfs/dbraw/zinc/12/47/34/862124734.db2.gz YSVOZSOBRXKJNM-MJGOQNOKSA-N 2 2 353.507 0.959 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nccs1 ZINC001166961087 850515137 /nfs/dbraw/zinc/51/51/37/850515137.db2.gz OEDFRLZKRMIIQO-VXGBXAGGSA-N 2 2 362.459 0.715 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001166961084 850515239 /nfs/dbraw/zinc/51/52/39/850515239.db2.gz OCBMDKLFGRQPEL-RRFJBIMHSA-N 2 2 368.503 0.444 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC001168737287 850592673 /nfs/dbraw/zinc/59/26/73/850592673.db2.gz RLILFAZINPWXQQ-UHFFFAOYSA-N 3 2 365.503 0.806 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001171501311 850687191 /nfs/dbraw/zinc/68/71/91/850687191.db2.gz RZMCPVOXKAWJMV-UMVBOHGHSA-N 2 2 353.467 0.862 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001171501311 850687192 /nfs/dbraw/zinc/68/71/92/850687192.db2.gz RZMCPVOXKAWJMV-UMVBOHGHSA-N 2 2 353.467 0.862 20 0 FCADLP COC[C@@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630236 850991992 /nfs/dbraw/zinc/99/19/92/850991992.db2.gz MMABTKGGRHHOMO-ARFHVFGLSA-N 2 2 352.479 0.797 20 0 FCADLP C[C@H](C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[NH+]1CCCC1 ZINC001180580243 851047116 /nfs/dbraw/zinc/04/71/16/851047116.db2.gz QQMRGOZKNUGMQH-LLVKDONJSA-N 2 2 356.448 0.093 20 0 FCADLP CC(C)[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181479577 851113331 /nfs/dbraw/zinc/11/33/31/851113331.db2.gz HRDSYOUHNOGNPA-INIZCTEOSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181479577 851113339 /nfs/dbraw/zinc/11/33/39/851113339.db2.gz HRDSYOUHNOGNPA-INIZCTEOSA-N 2 2 352.523 0.975 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)NC2(C[NH3+])COC2)C1 ZINC001182299390 851168141 /nfs/dbraw/zinc/16/81/41/851168141.db2.gz ZWHHGENFMAEERX-ZDUSSCGKSA-N 2 2 356.467 0.162 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)NC2(C[NH3+])COC2)C1 ZINC001182299390 851168145 /nfs/dbraw/zinc/16/81/45/851168145.db2.gz ZWHHGENFMAEERX-ZDUSSCGKSA-N 2 2 356.467 0.162 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001184469701 851310329 /nfs/dbraw/zinc/31/03/29/851310329.db2.gz OZIYNLXCTXGBNY-FPFZPSMCSA-N 2 2 357.882 0.809 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001185263768 851348204 /nfs/dbraw/zinc/34/82/04/851348204.db2.gz VZWQMWWWIFOMPQ-AWEZNQCLSA-N 2 2 371.576 0.800 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001185263768 851348211 /nfs/dbraw/zinc/34/82/11/851348211.db2.gz VZWQMWWWIFOMPQ-AWEZNQCLSA-N 2 2 371.576 0.800 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001185266827 851348700 /nfs/dbraw/zinc/34/87/00/851348700.db2.gz HMEVEBIMMORUSV-HNNXBMFYSA-N 2 2 368.503 0.187 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001185266827 851348706 /nfs/dbraw/zinc/34/87/06/851348706.db2.gz HMEVEBIMMORUSV-HNNXBMFYSA-N 2 2 368.503 0.187 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326068 851548960 /nfs/dbraw/zinc/54/89/60/851548960.db2.gz IOYNXVFYLOTMGE-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326068 851548968 /nfs/dbraw/zinc/54/89/68/851548968.db2.gz IOYNXVFYLOTMGE-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187326068 851548978 /nfs/dbraw/zinc/54/89/78/851548978.db2.gz IOYNXVFYLOTMGE-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187326068 851548988 /nfs/dbraw/zinc/54/89/88/851548988.db2.gz IOYNXVFYLOTMGE-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126064 851753547 /nfs/dbraw/zinc/75/35/47/851753547.db2.gz ATJVAZVBAQQOKL-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126064 851753550 /nfs/dbraw/zinc/75/35/50/851753550.db2.gz ATJVAZVBAQQOKL-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126064 851753551 /nfs/dbraw/zinc/75/35/51/851753551.db2.gz ATJVAZVBAQQOKL-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126064 851753554 /nfs/dbraw/zinc/75/35/54/851753554.db2.gz ATJVAZVBAQQOKL-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126945 851755507 /nfs/dbraw/zinc/75/55/07/851755507.db2.gz OGBVEGGZALAHSX-HRCADAONSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126945 851755512 /nfs/dbraw/zinc/75/55/12/851755512.db2.gz OGBVEGGZALAHSX-HRCADAONSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126945 851755517 /nfs/dbraw/zinc/75/55/17/851755517.db2.gz OGBVEGGZALAHSX-HRCADAONSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126945 851755520 /nfs/dbraw/zinc/75/55/20/851755520.db2.gz OGBVEGGZALAHSX-HRCADAONSA-N 2 2 357.520 0.296 20 0 FCADLP CC1(C)OCC(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)CO1 ZINC001278267266 862283434 /nfs/dbraw/zinc/28/34/34/862283434.db2.gz HGRRKZVTPBTJHF-CALCHBBNSA-N 2 2 350.463 0.667 20 0 FCADLP CC1(C)OCC(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)CO1 ZINC001278267266 862283452 /nfs/dbraw/zinc/28/34/52/862283452.db2.gz HGRRKZVTPBTJHF-CALCHBBNSA-N 2 2 350.463 0.667 20 0 FCADLP COc1nscc1C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810568 851826862 /nfs/dbraw/zinc/82/68/62/851826862.db2.gz AYUZZXORQGMUEH-DZGCQCFKSA-N 2 2 368.503 0.763 20 0 FCADLP COc1nscc1C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810568 851826873 /nfs/dbraw/zinc/82/68/73/851826873.db2.gz AYUZZXORQGMUEH-DZGCQCFKSA-N 2 2 368.503 0.763 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189941844 851847635 /nfs/dbraw/zinc/84/76/35/851847635.db2.gz FHHLONDGZKXWFQ-DUVNUKRYSA-N 2 2 368.503 0.474 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189941844 851847643 /nfs/dbraw/zinc/84/76/43/851847643.db2.gz FHHLONDGZKXWFQ-DUVNUKRYSA-N 2 2 368.503 0.474 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001190178365 851870542 /nfs/dbraw/zinc/87/05/42/851870542.db2.gz XZDHWNPJPZBLND-LSDHHAIUSA-N 2 2 354.476 0.159 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001190178365 851870548 /nfs/dbraw/zinc/87/05/48/851870548.db2.gz XZDHWNPJPZBLND-LSDHHAIUSA-N 2 2 354.476 0.159 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480724 851910915 /nfs/dbraw/zinc/91/09/15/851910915.db2.gz HNRFQBRQMMSDRU-DLBZAZTESA-N 2 2 350.463 0.859 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190480724 851910917 /nfs/dbraw/zinc/91/09/17/851910917.db2.gz HNRFQBRQMMSDRU-DLBZAZTESA-N 2 2 350.463 0.859 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001192640093 852268812 /nfs/dbraw/zinc/26/88/12/852268812.db2.gz PDLLUMUERFPDGB-OWCLPIDISA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001192640093 852268829 /nfs/dbraw/zinc/26/88/29/852268829.db2.gz PDLLUMUERFPDGB-OWCLPIDISA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001193602657 852458516 /nfs/dbraw/zinc/45/85/16/852458516.db2.gz XKUGYCQJGSVUEJ-CHWSQXEVSA-N 2 2 364.368 0.473 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001193602657 852458520 /nfs/dbraw/zinc/45/85/20/852458520.db2.gz XKUGYCQJGSVUEJ-CHWSQXEVSA-N 2 2 364.368 0.473 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cs1 ZINC001193780821 852486472 /nfs/dbraw/zinc/48/64/72/852486472.db2.gz FCHNNEKOYWFIFT-BZUAXINKSA-N 2 2 352.504 0.496 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cs1 ZINC001193780821 852486482 /nfs/dbraw/zinc/48/64/82/852486482.db2.gz FCHNNEKOYWFIFT-BZUAXINKSA-N 2 2 352.504 0.496 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782315 852487967 /nfs/dbraw/zinc/48/79/67/852487967.db2.gz WGIGGCDWXUCQJE-OAGGEKHMSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782315 852487972 /nfs/dbraw/zinc/48/79/72/852487972.db2.gz WGIGGCDWXUCQJE-OAGGEKHMSA-N 2 2 352.504 0.761 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O)[NH+](C)C ZINC001194095108 852535622 /nfs/dbraw/zinc/53/56/22/852535622.db2.gz DSCKESRJOZRNNG-RBSFLKMASA-N 2 2 363.487 0.693 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O)[NH+](C)C ZINC001194095108 852535627 /nfs/dbraw/zinc/53/56/27/852535627.db2.gz DSCKESRJOZRNNG-RBSFLKMASA-N 2 2 363.487 0.693 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264858 852569155 /nfs/dbraw/zinc/56/91/55/852569155.db2.gz IBQUMUMZYXRWQS-MGPQQGTHSA-N 2 2 356.511 0.181 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264858 852569165 /nfs/dbraw/zinc/56/91/65/852569165.db2.gz IBQUMUMZYXRWQS-MGPQQGTHSA-N 2 2 356.511 0.181 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264858 852569171 /nfs/dbraw/zinc/56/91/71/852569171.db2.gz IBQUMUMZYXRWQS-MGPQQGTHSA-N 2 2 356.511 0.181 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001194431269 852597563 /nfs/dbraw/zinc/59/75/63/852597563.db2.gz YKPLEXNXOVDDKI-ZIAGYGMSSA-N 2 2 354.357 0.391 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001194431269 852597571 /nfs/dbraw/zinc/59/75/71/852597571.db2.gz YKPLEXNXOVDDKI-ZIAGYGMSSA-N 2 2 354.357 0.391 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194910191 852671321 /nfs/dbraw/zinc/67/13/21/852671321.db2.gz ZGGVENVHKJKQKO-ZIAGYGMSSA-N 2 2 363.487 0.522 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194910191 852671331 /nfs/dbraw/zinc/67/13/31/852671331.db2.gz ZGGVENVHKJKQKO-ZIAGYGMSSA-N 2 2 363.487 0.522 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001195676712 852810858 /nfs/dbraw/zinc/81/08/58/852810858.db2.gz ISJRPNYBZCKCTB-ZIAGYGMSSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001195676712 852810859 /nfs/dbraw/zinc/81/08/59/852810859.db2.gz ISJRPNYBZCKCTB-ZIAGYGMSSA-N 2 2 350.463 0.549 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708680 852816578 /nfs/dbraw/zinc/81/65/78/852816578.db2.gz RTPMBDCETDIILO-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708680 852816584 /nfs/dbraw/zinc/81/65/84/852816584.db2.gz RTPMBDCETDIILO-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1Cl ZINC001195859400 852836747 /nfs/dbraw/zinc/83/67/47/852836747.db2.gz IPPKJDMWDJHZAJ-ZIAGYGMSSA-N 2 2 355.866 0.962 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1Cl ZINC001195859400 852836752 /nfs/dbraw/zinc/83/67/52/852836752.db2.gz IPPKJDMWDJHZAJ-ZIAGYGMSSA-N 2 2 355.866 0.962 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1O)[NH+](CC)CC ZINC001196115224 852893673 /nfs/dbraw/zinc/89/36/73/852893673.db2.gz LMDQAKZUYLQZDG-OWCLPIDISA-N 2 2 356.511 0.137 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1O)[NH+](CC)CC ZINC001196115224 852893678 /nfs/dbraw/zinc/89/36/78/852893678.db2.gz LMDQAKZUYLQZDG-OWCLPIDISA-N 2 2 356.511 0.137 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)[NH+](CC)CC ZINC001196128026 852895974 /nfs/dbraw/zinc/89/59/74/852895974.db2.gz CECBMJXTYBUVOS-BZUAXINKSA-N 2 2 371.913 0.818 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)[NH+](CC)CC ZINC001196128026 852895978 /nfs/dbraw/zinc/89/59/78/852895978.db2.gz CECBMJXTYBUVOS-BZUAXINKSA-N 2 2 371.913 0.818 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184773 852906944 /nfs/dbraw/zinc/90/69/44/852906944.db2.gz HYHCXNZMDCJQHB-JHJVBQTASA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184773 852906947 /nfs/dbraw/zinc/90/69/47/852906947.db2.gz HYHCXNZMDCJQHB-JHJVBQTASA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184773 852906950 /nfs/dbraw/zinc/90/69/50/852906950.db2.gz HYHCXNZMDCJQHB-JHJVBQTASA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184773 852906952 /nfs/dbraw/zinc/90/69/52/852906952.db2.gz HYHCXNZMDCJQHB-JHJVBQTASA-N 2 2 367.412 0.193 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222026 852919492 /nfs/dbraw/zinc/91/94/92/852919492.db2.gz FYFUHMWUACTMAD-RBSFLKMASA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222026 852919497 /nfs/dbraw/zinc/91/94/97/852919497.db2.gz FYFUHMWUACTMAD-RBSFLKMASA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222026 852919502 /nfs/dbraw/zinc/91/95/02/852919502.db2.gz FYFUHMWUACTMAD-RBSFLKMASA-N 2 2 356.511 0.040 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501440 852966930 /nfs/dbraw/zinc/96/69/30/852966930.db2.gz ZOZRSKWXJDIUKO-USXIJHARSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501440 852966932 /nfs/dbraw/zinc/96/69/32/852966932.db2.gz ZOZRSKWXJDIUKO-USXIJHARSA-N 2 2 350.463 0.812 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001196710867 853002117 /nfs/dbraw/zinc/00/21/17/853002117.db2.gz AWGBCNHPIFPRRL-CQSZACIVSA-N 2 2 355.508 0.700 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001196925069 853031854 /nfs/dbraw/zinc/03/18/54/853031854.db2.gz IRUWKOBGTGXHRX-IAGOWNOFSA-N 2 2 350.463 0.702 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001196925069 853031866 /nfs/dbraw/zinc/03/18/66/853031866.db2.gz IRUWKOBGTGXHRX-IAGOWNOFSA-N 2 2 350.463 0.702 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001196946269 853037828 /nfs/dbraw/zinc/03/78/28/853037828.db2.gz LEFJRWBNTUZBBC-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001196946269 853037835 /nfs/dbraw/zinc/03/78/35/853037835.db2.gz LEFJRWBNTUZBBC-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049356 853053101 /nfs/dbraw/zinc/05/31/01/853053101.db2.gz MTINPTFUEXSRSN-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049356 853053112 /nfs/dbraw/zinc/05/31/12/853053112.db2.gz MTINPTFUEXSRSN-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197724194 853153099 /nfs/dbraw/zinc/15/30/99/853153099.db2.gz PGHJFLBORJDWNG-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001197724194 853153105 /nfs/dbraw/zinc/15/31/05/853153105.db2.gz PGHJFLBORJDWNG-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)C[C@H]1O ZINC001197724300 853153176 /nfs/dbraw/zinc/15/31/76/853153176.db2.gz RCENZCRWDBBMDG-HZPDHXFCSA-N 2 2 356.511 0.186 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)C[C@H]1O ZINC001197724300 853153180 /nfs/dbraw/zinc/15/31/80/853153180.db2.gz RCENZCRWDBBMDG-HZPDHXFCSA-N 2 2 356.511 0.186 20 0 FCADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826162 853168856 /nfs/dbraw/zinc/16/88/56/853168856.db2.gz OPULNALOZHYCRI-IAGOWNOFSA-N 2 2 353.438 0.374 20 0 FCADLP Cc1ccc(F)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c1 ZINC001197826162 853168863 /nfs/dbraw/zinc/16/88/63/853168863.db2.gz OPULNALOZHYCRI-IAGOWNOFSA-N 2 2 353.438 0.374 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1O ZINC001198003919 853204042 /nfs/dbraw/zinc/20/40/42/853204042.db2.gz NIKXBLJEMSUBQG-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1O ZINC001198003919 853204053 /nfs/dbraw/zinc/20/40/53/853204053.db2.gz NIKXBLJEMSUBQG-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1O ZINC001198003919 853204063 /nfs/dbraw/zinc/20/40/63/853204063.db2.gz NIKXBLJEMSUBQG-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1O ZINC001198003919 853204074 /nfs/dbraw/zinc/20/40/74/853204074.db2.gz NIKXBLJEMSUBQG-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001198019855 853205332 /nfs/dbraw/zinc/20/53/32/853205332.db2.gz AJFYDCYBLMEOCI-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001198019855 853205337 /nfs/dbraw/zinc/20/53/37/853205337.db2.gz AJFYDCYBLMEOCI-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001198019855 853205344 /nfs/dbraw/zinc/20/53/44/853205344.db2.gz AJFYDCYBLMEOCI-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001198029529 853207759 /nfs/dbraw/zinc/20/77/59/853207759.db2.gz CGHBYANPUSMJTA-KRWDZBQOSA-N 2 2 367.515 0.987 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001198029529 853207772 /nfs/dbraw/zinc/20/77/72/853207772.db2.gz CGHBYANPUSMJTA-KRWDZBQOSA-N 2 2 367.515 0.987 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001198291525 853245316 /nfs/dbraw/zinc/24/53/16/853245316.db2.gz BGMGKWWHMWGMDO-OKEQZYBDSA-N 2 2 350.463 0.329 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001198291525 853245321 /nfs/dbraw/zinc/24/53/21/853245321.db2.gz BGMGKWWHMWGMDO-OKEQZYBDSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001198292541 853246981 /nfs/dbraw/zinc/24/69/81/853246981.db2.gz QCKFQFPHZZFSKH-NWANDNLSSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001198292541 853246987 /nfs/dbraw/zinc/24/69/87/853246987.db2.gz QCKFQFPHZZFSKH-NWANDNLSSA-N 2 2 356.417 0.949 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001199064649 853362337 /nfs/dbraw/zinc/36/23/37/853362337.db2.gz MFADXUCTDPEIJQ-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001199064649 853362342 /nfs/dbraw/zinc/36/23/42/853362342.db2.gz MFADXUCTDPEIJQ-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919466 853751377 /nfs/dbraw/zinc/75/13/77/853751377.db2.gz VBMSJOWEPQAMPB-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919466 853751379 /nfs/dbraw/zinc/75/13/79/853751379.db2.gz VBMSJOWEPQAMPB-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922560 853753825 /nfs/dbraw/zinc/75/38/25/853753825.db2.gz QJJTWFTUHUHYHV-RBSFLKMASA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922560 853753829 /nfs/dbraw/zinc/75/38/29/853753829.db2.gz QJJTWFTUHUHYHV-RBSFLKMASA-N 2 2 368.503 0.604 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337920 853806901 /nfs/dbraw/zinc/80/69/01/853806901.db2.gz ZEVWSNRHFPPVSR-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337920 853806904 /nfs/dbraw/zinc/80/69/04/853806904.db2.gz ZEVWSNRHFPPVSR-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337920 853806907 /nfs/dbraw/zinc/80/69/07/853806907.db2.gz ZEVWSNRHFPPVSR-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337920 853806909 /nfs/dbraw/zinc/80/69/09/853806909.db2.gz ZEVWSNRHFPPVSR-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001207659300 853836072 /nfs/dbraw/zinc/83/60/72/853836072.db2.gz RJUSKXUUPGXRSA-ZACQAIPSSA-N 2 2 352.479 0.916 20 0 FCADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001207659300 853836078 /nfs/dbraw/zinc/83/60/78/853836078.db2.gz RJUSKXUUPGXRSA-ZACQAIPSSA-N 2 2 352.479 0.916 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757666 853855557 /nfs/dbraw/zinc/85/55/57/853855557.db2.gz JBCHXQCJDXGUMR-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757666 853855560 /nfs/dbraw/zinc/85/55/60/853855560.db2.gz JBCHXQCJDXGUMR-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757666 853855564 /nfs/dbraw/zinc/85/55/64/853855564.db2.gz JBCHXQCJDXGUMR-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757666 853855565 /nfs/dbraw/zinc/85/55/65/853855565.db2.gz JBCHXQCJDXGUMR-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365195 853923650 /nfs/dbraw/zinc/92/36/50/853923650.db2.gz LITBILFAHAJVOK-RRFJBIMHSA-N 2 2 368.503 0.919 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365195 853923653 /nfs/dbraw/zinc/92/36/53/853923653.db2.gz LITBILFAHAJVOK-RRFJBIMHSA-N 2 2 368.503 0.919 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405121 853928325 /nfs/dbraw/zinc/92/83/25/853928325.db2.gz KUFGHIYFGJKYJN-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405121 853928332 /nfs/dbraw/zinc/92/83/32/853928332.db2.gz KUFGHIYFGJKYJN-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405121 853928336 /nfs/dbraw/zinc/92/83/36/853928336.db2.gz KUFGHIYFGJKYJN-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405121 853928341 /nfs/dbraw/zinc/92/83/41/853928341.db2.gz KUFGHIYFGJKYJN-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208574809 853955276 /nfs/dbraw/zinc/95/52/76/853955276.db2.gz GBCOFTUFLOOHLU-OAGGEKHMSA-N 2 2 361.552 0.978 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208574809 853955281 /nfs/dbraw/zinc/95/52/81/853955281.db2.gz GBCOFTUFLOOHLU-OAGGEKHMSA-N 2 2 361.552 0.978 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208590181 853957179 /nfs/dbraw/zinc/95/71/79/853957179.db2.gz FEXUGMBVCCWYLR-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208590181 853957183 /nfs/dbraw/zinc/95/71/83/853957183.db2.gz FEXUGMBVCCWYLR-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001208590181 853957185 /nfs/dbraw/zinc/95/71/85/853957185.db2.gz FEXUGMBVCCWYLR-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001208590181 853957192 /nfs/dbraw/zinc/95/71/92/853957192.db2.gz FEXUGMBVCCWYLR-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208721879 853969962 /nfs/dbraw/zinc/96/99/62/853969962.db2.gz MEBNDWPLAZYJRJ-KLHDSHLOSA-N 2 2 350.463 0.623 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208721879 853969964 /nfs/dbraw/zinc/96/99/64/853969964.db2.gz MEBNDWPLAZYJRJ-KLHDSHLOSA-N 2 2 350.463 0.623 20 0 FCADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)O1 ZINC001209271453 854009358 /nfs/dbraw/zinc/00/93/58/854009358.db2.gz WCMGONAPUGSVGK-IXDOHACOSA-N 2 2 352.431 0.798 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507069 854033018 /nfs/dbraw/zinc/03/30/18/854033018.db2.gz XHNOCDFZDSWYAP-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507069 854033023 /nfs/dbraw/zinc/03/30/23/854033023.db2.gz XHNOCDFZDSWYAP-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322419 854100457 /nfs/dbraw/zinc/10/04/57/854100457.db2.gz RAQRABAAUPQTTA-HUUCEWRRSA-N 2 2 356.511 0.163 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322419 854100459 /nfs/dbraw/zinc/10/04/59/854100459.db2.gz RAQRABAAUPQTTA-HUUCEWRRSA-N 2 2 356.511 0.163 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538557 854117389 /nfs/dbraw/zinc/11/73/89/854117389.db2.gz FGJIZBRYSBYBOH-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538557 854117392 /nfs/dbraw/zinc/11/73/92/854117392.db2.gz FGJIZBRYSBYBOH-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538557 854117396 /nfs/dbraw/zinc/11/73/96/854117396.db2.gz FGJIZBRYSBYBOH-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538557 854117399 /nfs/dbraw/zinc/11/73/99/854117399.db2.gz FGJIZBRYSBYBOH-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192004 854167364 /nfs/dbraw/zinc/16/73/64/854167364.db2.gz ZRPIIYBBPBZMTB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192004 854167371 /nfs/dbraw/zinc/16/73/71/854167371.db2.gz ZRPIIYBBPBZMTB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192004 854167377 /nfs/dbraw/zinc/16/73/77/854167377.db2.gz ZRPIIYBBPBZMTB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192004 854167383 /nfs/dbraw/zinc/16/73/83/854167383.db2.gz ZRPIIYBBPBZMTB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212298169 854431638 /nfs/dbraw/zinc/43/16/38/854431638.db2.gz XHADANWVDCZPJZ-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212298169 854431640 /nfs/dbraw/zinc/43/16/40/854431640.db2.gz XHADANWVDCZPJZ-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212298169 854431644 /nfs/dbraw/zinc/43/16/44/854431644.db2.gz XHADANWVDCZPJZ-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212298169 854431647 /nfs/dbraw/zinc/43/16/47/854431647.db2.gz XHADANWVDCZPJZ-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1OC ZINC001212353029 854447099 /nfs/dbraw/zinc/44/70/99/854447099.db2.gz HUOMBHHKGMBKGL-IIAWOOMASA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1OC ZINC001212353029 854447105 /nfs/dbraw/zinc/44/71/05/854447105.db2.gz HUOMBHHKGMBKGL-IIAWOOMASA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC ZINC001212353482 854447649 /nfs/dbraw/zinc/44/76/49/854447649.db2.gz SFJVIPGVFJDPFQ-BZUAXINKSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC ZINC001212353482 854447657 /nfs/dbraw/zinc/44/76/57/854447657.db2.gz SFJVIPGVFJDPFQ-BZUAXINKSA-N 2 2 356.442 0.978 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409508 854466977 /nfs/dbraw/zinc/46/69/77/854466977.db2.gz HCJWDIOCHTVESI-BRWVUGGUSA-N 2 2 350.463 0.947 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409508 854466983 /nfs/dbraw/zinc/46/69/83/854466983.db2.gz HCJWDIOCHTVESI-BRWVUGGUSA-N 2 2 350.463 0.947 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408724 854467067 /nfs/dbraw/zinc/46/70/67/854467067.db2.gz ZSCUEKVAYGZMQM-RBSFLKMASA-N 2 2 354.495 0.330 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408724 854467072 /nfs/dbraw/zinc/46/70/72/854467072.db2.gz ZSCUEKVAYGZMQM-RBSFLKMASA-N 2 2 354.495 0.330 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418488 854470367 /nfs/dbraw/zinc/47/03/67/854470367.db2.gz IFMOWIRUHNBKFL-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418488 854470377 /nfs/dbraw/zinc/47/03/77/854470377.db2.gz IFMOWIRUHNBKFL-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418488 854470385 /nfs/dbraw/zinc/47/03/85/854470385.db2.gz IFMOWIRUHNBKFL-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418488 854470388 /nfs/dbraw/zinc/47/03/88/854470388.db2.gz IFMOWIRUHNBKFL-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC)[NH+](C)C ZINC001212459876 854487536 /nfs/dbraw/zinc/48/75/36/854487536.db2.gz AWCUXMKQRKNDAA-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC)[NH+](C)C ZINC001212459876 854487544 /nfs/dbraw/zinc/48/75/44/854487544.db2.gz AWCUXMKQRKNDAA-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212483783 854497093 /nfs/dbraw/zinc/49/70/93/854497093.db2.gz SJNHPQSNXFNSTI-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212483783 854497096 /nfs/dbraw/zinc/49/70/96/854497096.db2.gz SJNHPQSNXFNSTI-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212483783 854497099 /nfs/dbraw/zinc/49/70/99/854497099.db2.gz SJNHPQSNXFNSTI-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212483783 854497103 /nfs/dbraw/zinc/49/71/03/854497103.db2.gz SJNHPQSNXFNSTI-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001213175583 854524265 /nfs/dbraw/zinc/52/42/65/854524265.db2.gz VPPOLTMCTWWROW-NVXWUHKLSA-N 2 2 350.463 0.614 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001213175583 854524270 /nfs/dbraw/zinc/52/42/70/854524270.db2.gz VPPOLTMCTWWROW-NVXWUHKLSA-N 2 2 350.463 0.614 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204577 854531971 /nfs/dbraw/zinc/53/19/71/854531971.db2.gz RYYBKNUVECPUCE-BZUAXINKSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204577 854531976 /nfs/dbraw/zinc/53/19/76/854531976.db2.gz RYYBKNUVECPUCE-BZUAXINKSA-N 2 2 350.463 0.737 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204608 854532177 /nfs/dbraw/zinc/53/21/77/854532177.db2.gz UWCRXSWKIDXGHU-HZPDHXFCSA-N 2 2 352.479 0.985 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204608 854532185 /nfs/dbraw/zinc/53/21/85/854532185.db2.gz UWCRXSWKIDXGHU-HZPDHXFCSA-N 2 2 352.479 0.985 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224295 854540967 /nfs/dbraw/zinc/54/09/67/854540967.db2.gz VPWCVOTVXQGDRT-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224295 854540969 /nfs/dbraw/zinc/54/09/69/854540969.db2.gz VPWCVOTVXQGDRT-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213243903 854548236 /nfs/dbraw/zinc/54/82/36/854548236.db2.gz PQTZOILKBXXMCC-ARFHVFGLSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213243903 854548238 /nfs/dbraw/zinc/54/82/38/854548238.db2.gz PQTZOILKBXXMCC-ARFHVFGLSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329030 854576446 /nfs/dbraw/zinc/57/64/46/854576446.db2.gz NOCRAMHXZMYGMH-ZACQAIPSSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329030 854576448 /nfs/dbraw/zinc/57/64/48/854576448.db2.gz NOCRAMHXZMYGMH-ZACQAIPSSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329030 854576453 /nfs/dbraw/zinc/57/64/53/854576453.db2.gz NOCRAMHXZMYGMH-ZACQAIPSSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001213329030 854576459 /nfs/dbraw/zinc/57/64/59/854576459.db2.gz NOCRAMHXZMYGMH-ZACQAIPSSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374727 854593574 /nfs/dbraw/zinc/59/35/74/854593574.db2.gz UYNYVDRPUQYZGJ-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374727 854593585 /nfs/dbraw/zinc/59/35/85/854593585.db2.gz UYNYVDRPUQYZGJ-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435055 854614828 /nfs/dbraw/zinc/61/48/28/854614828.db2.gz RAJSVFYVBOVUAV-OWCLPIDISA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435055 854614830 /nfs/dbraw/zinc/61/48/30/854614830.db2.gz RAJSVFYVBOVUAV-OWCLPIDISA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001213442017 854618399 /nfs/dbraw/zinc/61/83/99/854618399.db2.gz JQKZLEBSHDJHRB-ZIAGYGMSSA-N 2 2 363.449 0.815 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001213442017 854618406 /nfs/dbraw/zinc/61/84/06/854618406.db2.gz JQKZLEBSHDJHRB-ZIAGYGMSSA-N 2 2 363.449 0.815 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001213442017 854618415 /nfs/dbraw/zinc/61/84/15/854618415.db2.gz JQKZLEBSHDJHRB-ZIAGYGMSSA-N 2 2 363.449 0.815 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001213442017 854618421 /nfs/dbraw/zinc/61/84/21/854618421.db2.gz JQKZLEBSHDJHRB-ZIAGYGMSSA-N 2 2 363.449 0.815 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1OC)[NH+](C)C ZINC001213455493 854623916 /nfs/dbraw/zinc/62/39/16/854623916.db2.gz DPYPSHKOTQYIQB-IJEWVQPXSA-N 2 2 352.483 0.262 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC)[NH+](C)C ZINC001213455493 854623928 /nfs/dbraw/zinc/62/39/28/854623928.db2.gz DPYPSHKOTQYIQB-IJEWVQPXSA-N 2 2 352.483 0.262 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526542 854653198 /nfs/dbraw/zinc/65/31/98/854653198.db2.gz PLDABBLQHWVJCV-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526542 854653202 /nfs/dbraw/zinc/65/32/02/854653202.db2.gz PLDABBLQHWVJCV-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213598972 854680670 /nfs/dbraw/zinc/68/06/70/854680670.db2.gz ONXBMKGPTDLNOZ-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213598972 854680673 /nfs/dbraw/zinc/68/06/73/854680673.db2.gz ONXBMKGPTDLNOZ-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)CC)C[C@H]1OC ZINC001213763196 854757558 /nfs/dbraw/zinc/75/75/58/854757558.db2.gz GQYSJGFYLCFYSU-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)CC)C[C@H]1OC ZINC001213763196 854757560 /nfs/dbraw/zinc/75/75/60/854757560.db2.gz GQYSJGFYLCFYSU-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)CC)C[C@H]1OC ZINC001213763196 854757562 /nfs/dbraw/zinc/75/75/62/854757562.db2.gz GQYSJGFYLCFYSU-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)CC)C[C@H]1OC ZINC001213763196 854757564 /nfs/dbraw/zinc/75/75/64/854757564.db2.gz GQYSJGFYLCFYSU-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001213763302 854757606 /nfs/dbraw/zinc/75/76/06/854757606.db2.gz NMUIQGNHMXQOTL-HZPDHXFCSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001213763302 854757610 /nfs/dbraw/zinc/75/76/10/854757610.db2.gz NMUIQGNHMXQOTL-HZPDHXFCSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001213763302 854757613 /nfs/dbraw/zinc/75/76/13/854757613.db2.gz NMUIQGNHMXQOTL-HZPDHXFCSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001213763302 854757616 /nfs/dbraw/zinc/75/76/16/854757616.db2.gz NMUIQGNHMXQOTL-HZPDHXFCSA-N 2 2 356.511 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860331 854795663 /nfs/dbraw/zinc/79/56/63/854795663.db2.gz ZUAHCVPQTGTPEH-CHWSQXEVSA-N 2 2 353.385 0.477 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860331 854795666 /nfs/dbraw/zinc/79/56/66/854795666.db2.gz ZUAHCVPQTGTPEH-CHWSQXEVSA-N 2 2 353.385 0.477 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860042 854796777 /nfs/dbraw/zinc/79/67/77/854796777.db2.gz RAPDUDFCVWXIJT-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860042 854796781 /nfs/dbraw/zinc/79/67/81/854796781.db2.gz RAPDUDFCVWXIJT-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921732 854825735 /nfs/dbraw/zinc/82/57/35/854825735.db2.gz JAFZFWITQAFUFT-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921732 854825741 /nfs/dbraw/zinc/82/57/41/854825741.db2.gz JAFZFWITQAFUFT-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200429 855080696 /nfs/dbraw/zinc/08/06/96/855080696.db2.gz VUWJWVWCPLTEIB-HUUCEWRRSA-N 2 2 370.519 0.614 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001215226721 855084378 /nfs/dbraw/zinc/08/43/78/855084378.db2.gz QVGLUSJFBAUTMC-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001215226721 855084389 /nfs/dbraw/zinc/08/43/89/855084389.db2.gz QVGLUSJFBAUTMC-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1nccs1 ZINC001216061614 855167127 /nfs/dbraw/zinc/16/71/27/855167127.db2.gz MDAZFXMSPJIUAG-GRYCIOLGSA-N 2 2 362.459 0.872 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001216061973 855167309 /nfs/dbraw/zinc/16/73/09/855167309.db2.gz UYBXDYVQUJKUSY-GHMZBOCLSA-N 2 2 361.368 0.457 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392923 855198396 /nfs/dbraw/zinc/19/83/96/855198396.db2.gz TXDOEMWMKSVZBM-HYVNUMGLSA-N 2 2 352.479 0.433 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)CS(C)(=O)=O ZINC001216393081 855198533 /nfs/dbraw/zinc/19/85/33/855198533.db2.gz VTVZBGTZWVGTCI-UMVBOHGHSA-N 2 2 356.492 0.080 20 0 FCADLP CCC/C=C\CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590155 855351142 /nfs/dbraw/zinc/35/11/42/855351142.db2.gz FHIKLFXBJLZTOI-CPRFOPHYSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C\CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590155 855351150 /nfs/dbraw/zinc/35/11/50/855351150.db2.gz FHIKLFXBJLZTOI-CPRFOPHYSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590155 855351152 /nfs/dbraw/zinc/35/11/52/855351152.db2.gz FHIKLFXBJLZTOI-CPRFOPHYSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590155 855351155 /nfs/dbraw/zinc/35/11/55/855351155.db2.gz FHIKLFXBJLZTOI-CPRFOPHYSA-N 2 2 351.491 0.975 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218550964 855438639 /nfs/dbraw/zinc/43/86/39/855438639.db2.gz XARSKUYLBOUCBT-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218550964 855438647 /nfs/dbraw/zinc/43/86/47/855438647.db2.gz XARSKUYLBOUCBT-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582181 855443847 /nfs/dbraw/zinc/44/38/47/855443847.db2.gz NXBKQOUEPUCUEV-HRCADAONSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582181 855443850 /nfs/dbraw/zinc/44/38/50/855443850.db2.gz NXBKQOUEPUCUEV-HRCADAONSA-N 2 2 354.495 0.010 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)cc2)CC1 ZINC001218846074 855485725 /nfs/dbraw/zinc/48/57/25/855485725.db2.gz PPLXVHULVXHTCK-SSOJOUAXSA-N 2 2 366.531 0.859 20 0 FCADLP CC(C)(C)N(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)S(=O)(=O)c1cccc(N)c1 ZINC001218849313 855485799 /nfs/dbraw/zinc/48/57/99/855485799.db2.gz YMCXNLWUEUEOKJ-OAHLLOKOSA-N 2 2 368.503 0.912 20 0 FCADLP Nc1ccc(S(=O)(=O)N(C(=O)C[NH2+]CCC[NH3+])c2ccccn2)cc1 ZINC001218864438 855487297 /nfs/dbraw/zinc/48/72/97/855487297.db2.gz AFDZQFUBTZKUBM-UHFFFAOYSA-N 2 2 363.443 0.324 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001218885613 855490830 /nfs/dbraw/zinc/49/08/30/855490830.db2.gz UOLJYBVYBYKGBV-FZMZJTMJSA-N 2 2 370.475 0.353 20 0 FCADLP CNS(=O)(=O)CCc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218892934 855492013 /nfs/dbraw/zinc/49/20/13/855492013.db2.gz WRLLKYDDSZICLC-CQSZACIVSA-N 2 2 351.432 0.010 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218904875 855493403 /nfs/dbraw/zinc/49/34/03/855493403.db2.gz LCNVFTOOCKNQSX-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218904875 855493407 /nfs/dbraw/zinc/49/34/07/855493407.db2.gz LCNVFTOOCKNQSX-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218904875 855493411 /nfs/dbraw/zinc/49/34/11/855493411.db2.gz LCNVFTOOCKNQSX-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218904875 855493415 /nfs/dbraw/zinc/49/34/15/855493415.db2.gz LCNVFTOOCKNQSX-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]21 ZINC001219052170 855526494 /nfs/dbraw/zinc/52/64/94/855526494.db2.gz JFOJVBUQACKPHZ-UONOGXRCSA-N 2 2 367.412 0.817 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]21 ZINC001219052170 855526496 /nfs/dbraw/zinc/52/64/96/855526496.db2.gz JFOJVBUQACKPHZ-UONOGXRCSA-N 2 2 367.412 0.817 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001219052170 855526502 /nfs/dbraw/zinc/52/65/02/855526502.db2.gz JFOJVBUQACKPHZ-UONOGXRCSA-N 2 2 367.412 0.817 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001219052170 855526505 /nfs/dbraw/zinc/52/65/05/855526505.db2.gz JFOJVBUQACKPHZ-UONOGXRCSA-N 2 2 367.412 0.817 20 0 FCADLP COC(Cc1ccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1)OC ZINC001219443926 855673337 /nfs/dbraw/zinc/67/33/37/855673337.db2.gz CZIKRRFNDHBPCA-MRXNPFEDSA-N 2 2 350.463 0.537 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001219453671 855676511 /nfs/dbraw/zinc/67/65/11/855676511.db2.gz MZWHQUVLXJTEES-UXIGCNINSA-N 2 2 355.385 0.972 20 0 FCADLP COc1ccc(CSC[C@H]([NH3+])C(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001219595588 855725312 /nfs/dbraw/zinc/72/53/12/855725312.db2.gz GYQFTQXFNDGUIF-ZDUSSCGKSA-N 2 2 361.489 0.003 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCc1cn(C)c[nH+]1 ZINC001219634085 855746697 /nfs/dbraw/zinc/74/66/97/855746697.db2.gz MZNSMNCOQSXBMO-QEJZJMRPSA-N 2 2 369.535 0.690 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001219731734 855790577 /nfs/dbraw/zinc/79/05/77/855790577.db2.gz HJPUKEMMRKRJLE-XHSDSOJGSA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001219731734 855790588 /nfs/dbraw/zinc/79/05/88/855790588.db2.gz HJPUKEMMRKRJLE-XHSDSOJGSA-N 2 2 356.442 0.633 20 0 FCADLP CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800732 855819714 /nfs/dbraw/zinc/81/97/14/855819714.db2.gz VLEXMDOQEKIQPY-ZACQAIPSSA-N 2 2 351.495 0.411 20 0 FCADLP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800732 855819720 /nfs/dbraw/zinc/81/97/20/855819720.db2.gz VLEXMDOQEKIQPY-ZACQAIPSSA-N 2 2 351.495 0.411 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001219803753 855821800 /nfs/dbraw/zinc/82/18/00/855821800.db2.gz FCHNNEKOYWFIFT-PMPSAXMXSA-N 2 2 352.504 0.496 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001219803753 855821806 /nfs/dbraw/zinc/82/18/06/855821806.db2.gz FCHNNEKOYWFIFT-PMPSAXMXSA-N 2 2 352.504 0.496 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)s1 ZINC001219829705 855835297 /nfs/dbraw/zinc/83/52/97/855835297.db2.gz BQBJDJLFLPJXBC-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)s1 ZINC001219829705 855835300 /nfs/dbraw/zinc/83/53/00/855835300.db2.gz BQBJDJLFLPJXBC-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)s1 ZINC001219829705 855835302 /nfs/dbraw/zinc/83/53/02/855835302.db2.gz BQBJDJLFLPJXBC-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)s1 ZINC001219829705 855835305 /nfs/dbraw/zinc/83/53/05/855835305.db2.gz BQBJDJLFLPJXBC-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897142 855869409 /nfs/dbraw/zinc/86/94/09/855869409.db2.gz ZACAAPNLSHLFBJ-ZNMIVQPWSA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897142 855869413 /nfs/dbraw/zinc/86/94/13/855869413.db2.gz ZACAAPNLSHLFBJ-ZNMIVQPWSA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219897142 855869417 /nfs/dbraw/zinc/86/94/17/855869417.db2.gz ZACAAPNLSHLFBJ-ZNMIVQPWSA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219897142 855869421 /nfs/dbraw/zinc/86/94/21/855869421.db2.gz ZACAAPNLSHLFBJ-ZNMIVQPWSA-N 2 2 356.511 0.135 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908590 855875444 /nfs/dbraw/zinc/87/54/44/855875444.db2.gz LPKVCLFALXXGKQ-OAGGEKHMSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908590 855875452 /nfs/dbraw/zinc/87/54/52/855875452.db2.gz LPKVCLFALXXGKQ-OAGGEKHMSA-N 2 2 350.463 0.422 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC001219965602 855899294 /nfs/dbraw/zinc/89/92/94/855899294.db2.gz UHUVDCNDGCJDFK-LJISPDSOSA-N 2 2 366.487 0.232 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cs1 ZINC001220129164 855973706 /nfs/dbraw/zinc/97/37/06/855973706.db2.gz ZKTGGTXNXXRCCF-HNNXBMFYSA-N 3 2 371.576 0.881 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220273449 856039725 /nfs/dbraw/zinc/03/97/25/856039725.db2.gz LIQGRVLOBUXZEO-OAGGEKHMSA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220273449 856039734 /nfs/dbraw/zinc/03/97/34/856039734.db2.gz LIQGRVLOBUXZEO-OAGGEKHMSA-N 2 2 357.401 0.111 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O)C(C)C ZINC001220573376 856191100 /nfs/dbraw/zinc/19/11/00/856191100.db2.gz WKOATTVNDDUPJJ-IKGGRYGDSA-N 2 2 351.495 0.448 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220583377 856194405 /nfs/dbraw/zinc/19/44/05/856194405.db2.gz WGYAOCSTXCYMEZ-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220583377 856194410 /nfs/dbraw/zinc/19/44/10/856194410.db2.gz WGYAOCSTXCYMEZ-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220585122 856195534 /nfs/dbraw/zinc/19/55/34/856195534.db2.gz XYRDNZFALFLLIB-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220585122 856195537 /nfs/dbraw/zinc/19/55/37/856195537.db2.gz XYRDNZFALFLLIB-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755586 856282691 /nfs/dbraw/zinc/28/26/91/856282691.db2.gz REBIPDDJJKCGGS-UPJWGTAASA-N 2 2 353.385 0.068 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755586 856282696 /nfs/dbraw/zinc/28/26/96/856282696.db2.gz REBIPDDJJKCGGS-UPJWGTAASA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755586 856282704 /nfs/dbraw/zinc/28/27/04/856282704.db2.gz REBIPDDJJKCGGS-UPJWGTAASA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755586 856282713 /nfs/dbraw/zinc/28/27/13/856282713.db2.gz REBIPDDJJKCGGS-UPJWGTAASA-N 2 2 353.385 0.068 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799229 856306985 /nfs/dbraw/zinc/30/69/85/856306985.db2.gz RSBJVTVJGMTMRB-CABCVRRESA-N 2 2 370.519 0.111 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799229 856306990 /nfs/dbraw/zinc/30/69/90/856306990.db2.gz RSBJVTVJGMTMRB-CABCVRRESA-N 2 2 370.519 0.111 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888150 856359436 /nfs/dbraw/zinc/35/94/36/856359436.db2.gz BSLWXIDVGWHXPW-SJORKVTESA-N 2 2 352.479 0.577 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888150 856359440 /nfs/dbraw/zinc/35/94/40/856359440.db2.gz BSLWXIDVGWHXPW-SJORKVTESA-N 2 2 352.479 0.577 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071585 856447731 /nfs/dbraw/zinc/44/77/31/856447731.db2.gz BNFKWNNESNBERI-SJORKVTESA-N 2 2 350.463 0.774 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071585 856447736 /nfs/dbraw/zinc/44/77/36/856447736.db2.gz BNFKWNNESNBERI-SJORKVTESA-N 2 2 350.463 0.774 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1F ZINC001221093761 856459408 /nfs/dbraw/zinc/45/94/08/856459408.db2.gz WSCPVYPQDBKMMZ-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)cc1F ZINC001221093761 856459415 /nfs/dbraw/zinc/45/94/15/856459415.db2.gz WSCPVYPQDBKMMZ-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)cc1F ZINC001221093761 856459418 /nfs/dbraw/zinc/45/94/18/856459418.db2.gz WSCPVYPQDBKMMZ-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)cc1F ZINC001221093761 856459422 /nfs/dbraw/zinc/45/94/22/856459422.db2.gz WSCPVYPQDBKMMZ-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CC1 ZINC001221161207 856491190 /nfs/dbraw/zinc/49/11/90/856491190.db2.gz ARBCOHGBDFCZAL-IKGGRYGDSA-N 2 2 350.463 0.640 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CC1 ZINC001221161207 856491194 /nfs/dbraw/zinc/49/11/94/856491194.db2.gz ARBCOHGBDFCZAL-IKGGRYGDSA-N 2 2 350.463 0.640 20 0 FCADLP COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccc(Br)cc1 ZINC001221364813 856554680 /nfs/dbraw/zinc/55/46/80/856554680.db2.gz OIPHJFRBVZAKJR-AVGNSLFASA-N 2 2 370.247 0.716 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221729660 856667724 /nfs/dbraw/zinc/66/77/24/856667724.db2.gz ZKUCGKRRDKBIFG-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221729660 856667728 /nfs/dbraw/zinc/66/77/28/856667728.db2.gz ZKUCGKRRDKBIFG-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790656 856684298 /nfs/dbraw/zinc/68/42/98/856684298.db2.gz UHHTVDVEYABDFG-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790656 856684305 /nfs/dbraw/zinc/68/43/05/856684305.db2.gz UHHTVDVEYABDFG-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889855 856724234 /nfs/dbraw/zinc/72/42/34/856724234.db2.gz SCXYBLFYRVICTR-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889855 856724237 /nfs/dbraw/zinc/72/42/37/856724237.db2.gz SCXYBLFYRVICTR-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001221947175 856744154 /nfs/dbraw/zinc/74/41/54/856744154.db2.gz WOACMOJZLITIPD-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001221947175 856744158 /nfs/dbraw/zinc/74/41/58/856744158.db2.gz WOACMOJZLITIPD-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968257 856752188 /nfs/dbraw/zinc/75/21/88/856752188.db2.gz KHJZNZBFFORMGS-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968257 856752195 /nfs/dbraw/zinc/75/21/95/856752195.db2.gz KHJZNZBFFORMGS-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968257 856752201 /nfs/dbraw/zinc/75/22/01/856752201.db2.gz KHJZNZBFFORMGS-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968257 856752208 /nfs/dbraw/zinc/75/22/08/856752208.db2.gz KHJZNZBFFORMGS-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221969177 856752324 /nfs/dbraw/zinc/75/23/24/856752324.db2.gz VAPQUYVPYNZBPW-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221969177 856752327 /nfs/dbraw/zinc/75/23/27/856752327.db2.gz VAPQUYVPYNZBPW-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221969177 856752334 /nfs/dbraw/zinc/75/23/34/856752334.db2.gz VAPQUYVPYNZBPW-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221969177 856752338 /nfs/dbraw/zinc/75/23/38/856752338.db2.gz VAPQUYVPYNZBPW-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972734 856754015 /nfs/dbraw/zinc/75/40/15/856754015.db2.gz HDBXQQPKGYGLNT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972734 856754024 /nfs/dbraw/zinc/75/40/24/856754024.db2.gz HDBXQQPKGYGLNT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972734 856754038 /nfs/dbraw/zinc/75/40/38/856754038.db2.gz HDBXQQPKGYGLNT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972734 856754046 /nfs/dbraw/zinc/75/40/46/856754046.db2.gz HDBXQQPKGYGLNT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018279 856769748 /nfs/dbraw/zinc/76/97/48/856769748.db2.gz VPGZHQCUSPIAIR-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018279 856769752 /nfs/dbraw/zinc/76/97/52/856769752.db2.gz VPGZHQCUSPIAIR-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001222018273 856770159 /nfs/dbraw/zinc/77/01/59/856770159.db2.gz VNGXSPHTTQTVLS-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001222018273 856770166 /nfs/dbraw/zinc/77/01/66/856770166.db2.gz VNGXSPHTTQTVLS-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052944 856787731 /nfs/dbraw/zinc/78/77/31/856787731.db2.gz BMKYTLIEIAJWPE-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052944 856787735 /nfs/dbraw/zinc/78/77/35/856787735.db2.gz BMKYTLIEIAJWPE-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052944 856787738 /nfs/dbraw/zinc/78/77/38/856787738.db2.gz BMKYTLIEIAJWPE-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052944 856787741 /nfs/dbraw/zinc/78/77/41/856787741.db2.gz BMKYTLIEIAJWPE-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443561 856841443 /nfs/dbraw/zinc/84/14/43/856841443.db2.gz YWKQLCCVTQTZPH-PMPSAXMXSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443561 856841447 /nfs/dbraw/zinc/84/14/47/856841447.db2.gz YWKQLCCVTQTZPH-PMPSAXMXSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443561 856841452 /nfs/dbraw/zinc/84/14/52/856841452.db2.gz YWKQLCCVTQTZPH-PMPSAXMXSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443561 856841456 /nfs/dbraw/zinc/84/14/56/856841456.db2.gz YWKQLCCVTQTZPH-PMPSAXMXSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@H+](CCCS(C)(=O)=O)[C@H]3C2)CCC1 ZINC001222891592 856880379 /nfs/dbraw/zinc/88/03/79/856880379.db2.gz FNILKFWQKGAYHF-CVEARBPZSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@H]3CC[N@@H+](CCCS(C)(=O)=O)[C@H]3C2)CCC1 ZINC001222891592 856880381 /nfs/dbraw/zinc/88/03/81/856880381.db2.gz FNILKFWQKGAYHF-CVEARBPZSA-N 2 2 371.547 0.828 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916434 856951196 /nfs/dbraw/zinc/95/11/96/856951196.db2.gz IDDZTKNQXBQTBD-CABCVRRESA-N 2 2 351.451 0.379 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916434 856951199 /nfs/dbraw/zinc/95/11/99/856951199.db2.gz IDDZTKNQXBQTBD-CABCVRRESA-N 2 2 351.451 0.379 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036142 856957479 /nfs/dbraw/zinc/95/74/79/856957479.db2.gz DMVPENJVJLWUGP-PVAVHDDUSA-N 2 2 350.463 0.283 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036142 856957483 /nfs/dbraw/zinc/95/74/83/856957483.db2.gz DMVPENJVJLWUGP-PVAVHDDUSA-N 2 2 350.463 0.283 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001227164465 857146804 /nfs/dbraw/zinc/14/68/04/857146804.db2.gz BZAFQIFFNDHWBD-USXIJHARSA-N 2 2 350.463 0.471 20 0 FCADLP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1)S(C)(=O)=O ZINC001227840045 857179512 /nfs/dbraw/zinc/17/95/12/857179512.db2.gz VROFDKKJRKILBR-HUUCEWRRSA-N 2 2 371.507 0.182 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)CS(C)(=O)=O ZINC001228801000 857229861 /nfs/dbraw/zinc/22/98/61/857229861.db2.gz UJTHDAAVFQXUMD-BPLDGKMQSA-N 2 2 356.492 0.650 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001230018958 857298768 /nfs/dbraw/zinc/29/87/68/857298768.db2.gz LVVDZZMWAWUAAW-HZPDHXFCSA-N 2 2 370.519 0.804 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2C1 ZINC001239076593 857506015 /nfs/dbraw/zinc/50/60/15/857506015.db2.gz DSBXRPVJTLTMSL-GASCZTMLSA-N 2 2 370.544 0.836 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2C1 ZINC001239076593 857506023 /nfs/dbraw/zinc/50/60/23/857506023.db2.gz DSBXRPVJTLTMSL-GASCZTMLSA-N 2 2 370.544 0.836 20 0 FCADLP [NH3+]CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COCc2ccccn2)C1 ZINC001239082397 857510634 /nfs/dbraw/zinc/51/06/34/857510634.db2.gz UHHVPUXFRZYVEJ-CQSZACIVSA-N 2 2 365.459 0.215 20 0 FCADLP COC(=O)c1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)C2CC[NH2+]CC2)c1 ZINC001239180967 857523443 /nfs/dbraw/zinc/52/34/43/857523443.db2.gz KOQCHVFHULDIEV-INIZCTEOSA-N 2 2 367.471 0.501 20 0 FCADLP COc1ccc(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)cc1OC ZINC001239439742 857528837 /nfs/dbraw/zinc/52/88/37/857528837.db2.gz VGGDADGHSLWICB-UHFFFAOYSA-N 2 2 367.519 0.485 20 0 FCADLP C[C@@H](NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1)c1ccc(F)cc1 ZINC001239439772 857529186 /nfs/dbraw/zinc/52/91/86/857529186.db2.gz WXLVZZLQVMKGDB-CQSZACIVSA-N 2 2 353.511 0.846 20 0 FCADLP CCCOC[C@H](O)C[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246034674 857566387 /nfs/dbraw/zinc/56/63/87/857566387.db2.gz RPGDGQYEFSNUPW-SNPRPXQTSA-N 2 2 368.396 0.791 20 0 FCADLP CCCOC[C@H](O)C[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246034674 857566391 /nfs/dbraw/zinc/56/63/91/857566391.db2.gz RPGDGQYEFSNUPW-SNPRPXQTSA-N 2 2 368.396 0.791 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703381 857592563 /nfs/dbraw/zinc/59/25/63/857592563.db2.gz IVKUICUWTHSHJQ-OGJJZOIMSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703381 857592569 /nfs/dbraw/zinc/59/25/69/857592569.db2.gz IVKUICUWTHSHJQ-OGJJZOIMSA-N 2 2 351.491 0.998 20 0 FCADLP COC(=O)[C@@H]([NH3+])C1CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC1 ZINC001246869336 857604601 /nfs/dbraw/zinc/60/46/01/857604601.db2.gz QTYCOPGVMIVICH-BJWPUDQFSA-N 3 2 353.463 0.271 20 0 FCADLP COC(=O)[C@@H](N)C1CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC1 ZINC001246869336 857604602 /nfs/dbraw/zinc/60/46/02/857604602.db2.gz QTYCOPGVMIVICH-BJWPUDQFSA-N 2 2 353.463 0.271 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=S)NCC[NH+](C)C ZINC001249835039 857652555 /nfs/dbraw/zinc/65/25/55/857652555.db2.gz USNWJSWXKPGGLX-WMLDXEAASA-N 2 2 372.535 0.151 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001251018259 857683150 /nfs/dbraw/zinc/68/31/50/857683150.db2.gz XIQRCTQULJQISX-QGZVFWFLSA-N 2 2 351.495 0.232 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001251018259 857683155 /nfs/dbraw/zinc/68/31/55/857683155.db2.gz XIQRCTQULJQISX-QGZVFWFLSA-N 2 2 351.495 0.232 20 0 FCADLP C[NH+]1CCN(c2cccc(F)c2NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251032313 857687075 /nfs/dbraw/zinc/68/70/75/857687075.db2.gz VETGRZCXCCFGIY-HNNXBMFYSA-N 2 2 352.454 0.683 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252023925 857775963 /nfs/dbraw/zinc/77/59/63/857775963.db2.gz JELREGODEGVFIY-MRXNPFEDSA-N 2 2 352.479 0.687 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252023925 857775967 /nfs/dbraw/zinc/77/59/67/857775967.db2.gz JELREGODEGVFIY-MRXNPFEDSA-N 2 2 352.479 0.687 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001252023925 857775971 /nfs/dbraw/zinc/77/59/71/857775971.db2.gz JELREGODEGVFIY-MRXNPFEDSA-N 2 2 352.479 0.687 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001252023925 857775977 /nfs/dbraw/zinc/77/59/77/857775977.db2.gz JELREGODEGVFIY-MRXNPFEDSA-N 2 2 352.479 0.687 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252676483 857830791 /nfs/dbraw/zinc/83/07/91/857830791.db2.gz NVQGSFZXTXZSPW-ZDUSSCGKSA-N 2 2 354.451 0.110 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252676483 857830799 /nfs/dbraw/zinc/83/07/99/857830799.db2.gz NVQGSFZXTXZSPW-ZDUSSCGKSA-N 2 2 354.451 0.110 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001253186425 857870623 /nfs/dbraw/zinc/87/06/23/857870623.db2.gz OQBFCYSXJXBKDL-IAGOWNOFSA-N 2 2 353.507 0.650 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC2 ZINC001253675631 857902255 /nfs/dbraw/zinc/90/22/55/857902255.db2.gz ADDFSMJGKPCXQU-AWEZNQCLSA-N 2 2 355.479 0.365 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC2 ZINC001253675631 857902263 /nfs/dbraw/zinc/90/22/63/857902263.db2.gz ADDFSMJGKPCXQU-AWEZNQCLSA-N 2 2 355.479 0.365 20 0 FCADLP O=S1(=O)CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001254314278 857953041 /nfs/dbraw/zinc/95/30/41/857953041.db2.gz SSLMGSCNURZTCG-INIZCTEOSA-N 2 2 354.472 0.674 20 0 FCADLP CS(=O)(=O)N1CCOCC2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)C1 ZINC001254861932 857989211 /nfs/dbraw/zinc/98/92/11/857989211.db2.gz XHURCYCIEZHBPD-QGZVFWFLSA-N 2 2 371.547 0.845 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC001256207957 858057008 /nfs/dbraw/zinc/05/70/08/858057008.db2.gz SAZHYCAIASWQHV-HKUYNNGSSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC001256207957 858057016 /nfs/dbraw/zinc/05/70/16/858057016.db2.gz SAZHYCAIASWQHV-HKUYNNGSSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001256851655 858100633 /nfs/dbraw/zinc/10/06/33/858100633.db2.gz PZTCMIBGYIJIIU-AWEZNQCLSA-N 2 2 350.463 0.941 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CCC23C[NH+](CC2CC[NH+](C)CC2)C3)c1 ZINC001279630181 862987453 /nfs/dbraw/zinc/98/74/53/862987453.db2.gz YSNBHWHFJXSIDT-UHFFFAOYSA-N 2 2 353.492 0.211 20 0 FCADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257722421 858157468 /nfs/dbraw/zinc/15/74/68/858157468.db2.gz KLHRPECGDXNVDK-REWJHTLYSA-N 2 2 358.435 0.378 20 0 FCADLP COC(=O)CCS(=O)(=O)CC[C@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257931328 858168069 /nfs/dbraw/zinc/16/80/69/858168069.db2.gz DVOHHWKTGKLDOV-LBPRGKRZSA-N 2 2 357.476 0.809 20 0 FCADLP CC1CC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001261769862 858661799 /nfs/dbraw/zinc/66/17/99/858661799.db2.gz IGEPJDJCGIQGHU-VMBOVVBDSA-N 2 2 350.507 0.776 20 0 FCADLP CC1CC(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001261769862 858661802 /nfs/dbraw/zinc/66/18/02/858661802.db2.gz IGEPJDJCGIQGHU-VMBOVVBDSA-N 2 2 350.507 0.776 20 0 FCADLP CCCC[C@H](CC)C[N@@H+]1CCC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001270176118 859677351 /nfs/dbraw/zinc/67/73/51/859677351.db2.gz SKLQWIXJCBJYIS-KRWDZBQOSA-N 2 2 355.523 0.776 20 0 FCADLP CCCC[C@H](CC)C[N@H+]1CCC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001270176118 859677356 /nfs/dbraw/zinc/67/73/56/859677356.db2.gz SKLQWIXJCBJYIS-KRWDZBQOSA-N 2 2 355.523 0.776 20 0 FCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001270977727 859881672 /nfs/dbraw/zinc/88/16/72/859881672.db2.gz KXUKLKOQHOZRQP-OKILXGFUSA-N 2 2 363.531 0.981 20 0 FCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001270977727 859881682 /nfs/dbraw/zinc/88/16/82/859881682.db2.gz KXUKLKOQHOZRQP-OKILXGFUSA-N 2 2 363.531 0.981 20 0 FCADLP C[C@H]1C[C@H]1C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275324338 861032773 /nfs/dbraw/zinc/03/27/73/861032773.db2.gz GBGQLCDOKXBHME-IRXDYDNUSA-N 2 2 350.507 0.193 20 0 FCADLP COC(C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1)OC ZINC001275494178 861113975 /nfs/dbraw/zinc/11/39/75/861113975.db2.gz VHAKQCHKHJUMSX-KRWDZBQOSA-N 2 2 350.419 0.343 20 0 FCADLP COC(C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1)OC ZINC001275494178 861113977 /nfs/dbraw/zinc/11/39/77/861113977.db2.gz VHAKQCHKHJUMSX-KRWDZBQOSA-N 2 2 350.419 0.343 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280057923 863229335 /nfs/dbraw/zinc/22/93/35/863229335.db2.gz KVDCHQFZYUWRIL-MRXNPFEDSA-N 2 2 369.531 0.440 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280057923 863229347 /nfs/dbraw/zinc/22/93/47/863229347.db2.gz KVDCHQFZYUWRIL-MRXNPFEDSA-N 2 2 369.531 0.440 20 0 FCADLP CC(C)NC(=O)N1C[C@@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001280245994 863357760 /nfs/dbraw/zinc/35/77/60/863357760.db2.gz OAHAMAXSDCOYPN-CALCHBBNSA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)NC(=O)N1C[C@@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001280245994 863357781 /nfs/dbraw/zinc/35/77/81/863357781.db2.gz OAHAMAXSDCOYPN-CALCHBBNSA-N 2 2 353.511 0.127 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001349214512 866265392 /nfs/dbraw/zinc/26/53/92/866265392.db2.gz HBFJXWQEKWBGSU-AWEZNQCLSA-N 2 2 356.536 0.483 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001349214512 866265408 /nfs/dbraw/zinc/26/54/08/866265408.db2.gz HBFJXWQEKWBGSU-AWEZNQCLSA-N 2 2 356.536 0.483 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC001349458129 866345738 /nfs/dbraw/zinc/34/57/38/866345738.db2.gz PUVQWTQOISUJJX-UHFFFAOYSA-N 2 2 351.472 0.529 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC001349643917 866402101 /nfs/dbraw/zinc/40/21/01/866402101.db2.gz JAVUYJNSDADBCW-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001309330454 866781145 /nfs/dbraw/zinc/78/11/45/866781145.db2.gz GUXIXTVHWSHVJJ-HNNXBMFYSA-N 2 2 367.519 0.689 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351213719 866814609 /nfs/dbraw/zinc/81/46/09/866814609.db2.gz UFWJWNICCRAJCN-XIRDDKMYSA-N 2 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001351213719 866814629 /nfs/dbraw/zinc/81/46/29/866814629.db2.gz UFWJWNICCRAJCN-XIRDDKMYSA-N 2 2 353.511 0.173 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001311891426 867127844 /nfs/dbraw/zinc/12/78/44/867127844.db2.gz MAUGMLDYGQWOMM-OAHLLOKOSA-N 2 2 360.524 0.231 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001311891426 867127855 /nfs/dbraw/zinc/12/78/55/867127855.db2.gz MAUGMLDYGQWOMM-OAHLLOKOSA-N 2 2 360.524 0.231 20 0 FCADLP COC[C@@]1(CO)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015988 867136116 /nfs/dbraw/zinc/13/61/16/867136116.db2.gz QQSXMRDFXKFRIF-QAPCUYQASA-N 2 2 354.495 0.195 20 0 FCADLP COC[C@@]1(CO)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015988 867136127 /nfs/dbraw/zinc/13/61/27/867136127.db2.gz QQSXMRDFXKFRIF-QAPCUYQASA-N 2 2 354.495 0.195 20 0 FCADLP CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001353574731 867450770 /nfs/dbraw/zinc/45/07/70/867450770.db2.gz VFZPSPDKVOCTSB-XOYOTBSWSA-N 2 2 351.491 0.665 20 0 FCADLP CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001353574731 867450775 /nfs/dbraw/zinc/45/07/75/867450775.db2.gz VFZPSPDKVOCTSB-XOYOTBSWSA-N 2 2 351.491 0.665 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCF ZINC001327047351 870635675 /nfs/dbraw/zinc/63/56/75/870635675.db2.gz UPNQZMYXWSUGKC-ZDUSSCGKSA-N 2 2 357.474 0.318 20 0 FCADLP COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1OCC(N)=O ZINC001327680980 871012381 /nfs/dbraw/zinc/01/23/81/871012381.db2.gz ULPRHERCUSWDFJ-UHFFFAOYSA-N 2 2 351.447 0.496 20 0 FCADLP Cc1ncsc1CCS(=O)(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001345944511 871572809 /nfs/dbraw/zinc/57/28/09/871572809.db2.gz NXFJUVRXJKYIKR-CQSZACIVSA-N 2 2 358.533 0.821 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001347102570 872160266 /nfs/dbraw/zinc/16/02/66/872160266.db2.gz QENGMRBIGFAUJK-BBWFWOEESA-N 2 2 353.511 0.127 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963639 873316639 /nfs/dbraw/zinc/31/66/39/873316639.db2.gz IFULMJRULWBULB-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963639 873316656 /nfs/dbraw/zinc/31/66/56/873316656.db2.gz IFULMJRULWBULB-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP CC(=O)N1CC[C@@H]([NH+]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573433461 948202388 /nfs/dbraw/zinc/20/23/88/948202388.db2.gz LMQHKCCUHHFTQS-CQSZACIVSA-N 2 2 356.434 0.313 20 0 FCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921105 948913229 /nfs/dbraw/zinc/91/32/29/948913229.db2.gz SEUJLUTWKSZFIF-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921104 948914994 /nfs/dbraw/zinc/91/49/94/948914994.db2.gz SEUJLUTWKSZFIF-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574922989 948927871 /nfs/dbraw/zinc/92/78/71/948927871.db2.gz ASMZXJJTABJOPF-GFCCVEGCSA-N 2 2 355.406 0.489 20 0 FCADLP CC(C)(C)C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573802049 949406584 /nfs/dbraw/zinc/40/65/84/949406584.db2.gz CTNZAYHWMQSHOU-UHFFFAOYSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574945793 949418368 /nfs/dbraw/zinc/41/83/68/949418368.db2.gz OFSLNJPEBJNDJF-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574945793 949418382 /nfs/dbraw/zinc/41/83/82/949418382.db2.gz OFSLNJPEBJNDJF-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948433 949463852 /nfs/dbraw/zinc/46/38/52/949463852.db2.gz IYPJQBMMOLFPFO-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948433 949463869 /nfs/dbraw/zinc/46/38/69/949463869.db2.gz IYPJQBMMOLFPFO-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP CC(C)CC(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574123416 949562962 /nfs/dbraw/zinc/56/29/62/949562962.db2.gz XZZGEUGHQZTWKR-UHFFFAOYSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574728461 949984137 /nfs/dbraw/zinc/98/41/37/949984137.db2.gz ASGVBACEVHVUMG-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574728553 949995581 /nfs/dbraw/zinc/99/55/81/949995581.db2.gz CTXYOYUFTZBOAA-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574730351 950030193 /nfs/dbraw/zinc/03/01/93/950030193.db2.gz RKIJBUHYEPKMEP-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574733040 950089412 /nfs/dbraw/zinc/08/94/12/950089412.db2.gz QMLGOAMIUQPQNH-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574497897 950247889 /nfs/dbraw/zinc/24/78/89/950247889.db2.gz FZLDZWXNRUKUAV-GFCCVEGCSA-N 2 2 367.417 0.592 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907573 950340529 /nfs/dbraw/zinc/34/05/29/950340529.db2.gz PFLBDTARNNRSER-LRDDRELGSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576208344 950609116 /nfs/dbraw/zinc/60/91/16/950609116.db2.gz OGSYLDZCVISMDC-ZDUSSCGKSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576208344 950609131 /nfs/dbraw/zinc/60/91/31/950609131.db2.gz OGSYLDZCVISMDC-ZDUSSCGKSA-N 2 2 370.461 0.689 20 0 FCADLP CC1CC[NH+](CC(=O)NCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576208993 950623777 /nfs/dbraw/zinc/62/37/77/950623777.db2.gz XUQJHVSSNIYMRY-UHFFFAOYSA-N 2 2 358.450 0.546 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570994077 950955007 /nfs/dbraw/zinc/95/50/07/950955007.db2.gz OHCKWQXZUPAWBN-TZMCWYRMSA-N 2 2 358.450 0.639 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001570994076 950956291 /nfs/dbraw/zinc/95/62/91/950956291.db2.gz OHCKWQXZUPAWBN-GXTWGEPZSA-N 2 2 358.450 0.639 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571025694 951455935 /nfs/dbraw/zinc/45/59/35/951455935.db2.gz FKEAOLYVUIDWEK-SWLSCSKDSA-N 2 2 366.429 0.769 20 0 FCADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571026263 951473931 /nfs/dbraw/zinc/47/39/31/951473931.db2.gz XESZBGPGGMJAMA-AWEZNQCLSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571026263 951473939 /nfs/dbraw/zinc/47/39/39/951473939.db2.gz XESZBGPGGMJAMA-AWEZNQCLSA-N 2 2 366.429 0.865 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571026316 951476550 /nfs/dbraw/zinc/47/65/50/951476550.db2.gz YYXZHDNIIIWQIK-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001571026316 951476559 /nfs/dbraw/zinc/47/65/59/951476559.db2.gz YYXZHDNIIIWQIK-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081364 951721649 /nfs/dbraw/zinc/72/16/49/951721649.db2.gz UBQSJNNGTWMNIG-LLVKDONJSA-N 2 2 372.408 0.814 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575092243 951790620 /nfs/dbraw/zinc/79/06/20/951790620.db2.gz ZJFMKOGFZQYKJJ-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266024812 210268173 /nfs/dbraw/zinc/26/81/73/210268173.db2.gz PYSSFIBOEQNPHD-JKSUJKDBSA-N 2 2 373.453 0.298 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266024812 210268177 /nfs/dbraw/zinc/26/81/77/210268177.db2.gz PYSSFIBOEQNPHD-JKSUJKDBSA-N 2 2 373.453 0.298 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)Nc2cccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2)C1 ZINC000292533566 214107805 /nfs/dbraw/zinc/10/78/05/214107805.db2.gz PGUDUAJHMGWDPP-HOTGVXAUSA-N 2 2 362.430 0.225 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)Nc2cccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2)C1 ZINC000292533566 214107808 /nfs/dbraw/zinc/10/78/08/214107808.db2.gz PGUDUAJHMGWDPP-HOTGVXAUSA-N 2 2 362.430 0.225 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293112942 214146211 /nfs/dbraw/zinc/14/62/11/214146211.db2.gz YPMBOZWNBJQXNM-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293112942 214146214 /nfs/dbraw/zinc/14/62/14/214146214.db2.gz YPMBOZWNBJQXNM-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293112942 214146217 /nfs/dbraw/zinc/14/62/17/214146217.db2.gz YPMBOZWNBJQXNM-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293112942 214146220 /nfs/dbraw/zinc/14/62/20/214146220.db2.gz YPMBOZWNBJQXNM-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP Cn1ncc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000293491939 214178825 /nfs/dbraw/zinc/17/88/25/214178825.db2.gz GRJAPOFHYPNBGM-AWEZNQCLSA-N 2 2 358.450 0.200 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000294764096 214264163 /nfs/dbraw/zinc/26/41/63/214264163.db2.gz FGCNFESWKUQGNW-WMHQRMGPSA-N 2 2 358.446 0.671 20 0 FCADLP CN(CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237778 214286637 /nfs/dbraw/zinc/28/66/37/214286637.db2.gz PAKHZSAEWLKFSP-MRXNPFEDSA-N 2 2 370.519 0.157 20 0 FCADLP CN(CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237778 214286640 /nfs/dbraw/zinc/28/66/40/214286640.db2.gz PAKHZSAEWLKFSP-MRXNPFEDSA-N 2 2 370.519 0.157 20 0 FCADLP CN(CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237778 214286643 /nfs/dbraw/zinc/28/66/43/214286643.db2.gz PAKHZSAEWLKFSP-MRXNPFEDSA-N 2 2 370.519 0.157 20 0 FCADLP CN(CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237778 214286646 /nfs/dbraw/zinc/28/66/46/214286646.db2.gz PAKHZSAEWLKFSP-MRXNPFEDSA-N 2 2 370.519 0.157 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CN1CC[NH+]1CCOCC1 ZINC000265826510 210230008 /nfs/dbraw/zinc/23/00/08/210230008.db2.gz ARPXJQGPWQGTNX-MRXNPFEDSA-N 2 2 361.442 0.481 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000410607187 529696548 /nfs/dbraw/zinc/69/65/48/529696548.db2.gz LJWITLDPSLRELK-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000299051903 214656232 /nfs/dbraw/zinc/65/62/32/214656232.db2.gz JBEWRWYQAPJYSG-UHFFFAOYSA-N 2 2 368.428 0.629 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCOCC1 ZINC000265713639 210204412 /nfs/dbraw/zinc/20/44/12/210204412.db2.gz OPDRNLYHQRRSTM-AWEZNQCLSA-N 2 2 372.429 0.290 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000290976045 214006128 /nfs/dbraw/zinc/00/61/28/214006128.db2.gz RFVPEQHZWZXPNJ-NVXWUHKLSA-N 2 2 362.474 0.957 20 0 FCADLP CNC(=O)NC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000412056344 529882572 /nfs/dbraw/zinc/88/25/72/529882572.db2.gz SLLABUJBXIHIKN-OAHLLOKOSA-N 2 2 374.489 0.512 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000410476871 529931342 /nfs/dbraw/zinc/93/13/42/529931342.db2.gz MQWCWSOEKWNMHT-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000410476871 529931343 /nfs/dbraw/zinc/93/13/43/529931343.db2.gz MQWCWSOEKWNMHT-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1[nH+]ccn1C ZINC000265418018 210129935 /nfs/dbraw/zinc/12/99/35/210129935.db2.gz VJQDBCLEKXQBSB-HNNXBMFYSA-N 2 2 357.462 0.825 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331524365 215009983 /nfs/dbraw/zinc/00/99/83/215009983.db2.gz FQAQZYZDEVPGSH-CVEARBPZSA-N 2 2 367.490 0.441 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331524365 215009986 /nfs/dbraw/zinc/00/99/86/215009986.db2.gz FQAQZYZDEVPGSH-CVEARBPZSA-N 2 2 367.490 0.441 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000331563167 215015471 /nfs/dbraw/zinc/01/54/71/215015471.db2.gz GPLKHTKEJUCIQX-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP CN(C(=O)c1ccccc1O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331583845 215018503 /nfs/dbraw/zinc/01/85/03/215018503.db2.gz XJIDSTSGDMFGLS-UHFFFAOYSA-N 2 2 374.485 0.703 20 0 FCADLP C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCO1 ZINC000265271718 210085028 /nfs/dbraw/zinc/08/50/28/210085028.db2.gz GFHXAXDFQVPJRL-INIZCTEOSA-N 2 2 363.462 0.390 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587319 215020570 /nfs/dbraw/zinc/02/05/70/215020570.db2.gz NMBWTRNZSXDMTC-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587319 215020572 /nfs/dbraw/zinc/02/05/72/215020572.db2.gz NMBWTRNZSXDMTC-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331635775 215026529 /nfs/dbraw/zinc/02/65/29/215026529.db2.gz OZTXLPRAPPENQL-CQSZACIVSA-N 2 2 361.446 0.981 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331635775 215026531 /nfs/dbraw/zinc/02/65/31/215026531.db2.gz OZTXLPRAPPENQL-CQSZACIVSA-N 2 2 361.446 0.981 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000331765569 215043332 /nfs/dbraw/zinc/04/33/32/215043332.db2.gz CQTQQBXSCINMIX-JFIYKMOQSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000331765569 215043336 /nfs/dbraw/zinc/04/33/36/215043336.db2.gz CQTQQBXSCINMIX-JFIYKMOQSA-N 2 2 358.486 0.581 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331789312 215047850 /nfs/dbraw/zinc/04/78/50/215047850.db2.gz JQZHDKNWMPOIJR-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870149 215059205 /nfs/dbraw/zinc/05/92/05/215059205.db2.gz ZJQHODZTTHETQP-IRXDYDNUSA-N 2 2 359.536 0.987 20 0 FCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870149 215059207 /nfs/dbraw/zinc/05/92/07/215059207.db2.gz ZJQHODZTTHETQP-IRXDYDNUSA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870149 215059210 /nfs/dbraw/zinc/05/92/10/215059210.db2.gz ZJQHODZTTHETQP-IRXDYDNUSA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870149 215059213 /nfs/dbraw/zinc/05/92/13/215059213.db2.gz ZJQHODZTTHETQP-IRXDYDNUSA-N 2 2 359.536 0.987 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)c1nc(CNC(=O)[C@@H]2CCC[NH+]2C)cs1 ZINC000265007417 210036522 /nfs/dbraw/zinc/03/65/22/210036522.db2.gz YWNWYDHIEPYDRH-UONOGXRCSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)c1nc(CNC(=O)[C@@H]2CCC[NH+]2C)cs1 ZINC000265007417 210036526 /nfs/dbraw/zinc/03/65/26/210036526.db2.gz YWNWYDHIEPYDRH-UONOGXRCSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC000265007417 210036530 /nfs/dbraw/zinc/03/65/30/210036530.db2.gz YWNWYDHIEPYDRH-UONOGXRCSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC000265007417 210036532 /nfs/dbraw/zinc/03/65/32/210036532.db2.gz YWNWYDHIEPYDRH-UONOGXRCSA-N 2 2 365.503 0.911 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000332088737 215091131 /nfs/dbraw/zinc/09/11/31/215091131.db2.gz UEXWMRJMRBFZPC-CYBMUJFWSA-N 2 2 361.446 0.328 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000332088737 215091135 /nfs/dbraw/zinc/09/11/35/215091135.db2.gz UEXWMRJMRBFZPC-CYBMUJFWSA-N 2 2 361.446 0.328 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)CO1 ZINC000332097404 215092161 /nfs/dbraw/zinc/09/21/61/215092161.db2.gz XPLMUSCZZGNRCT-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000264975234 210029668 /nfs/dbraw/zinc/02/96/68/210029668.db2.gz ZCLOKTOTNDDJBH-IBGZPJMESA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000264975234 210029670 /nfs/dbraw/zinc/02/96/70/210029670.db2.gz ZCLOKTOTNDDJBH-IBGZPJMESA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264975234 210029660 /nfs/dbraw/zinc/02/96/60/210029660.db2.gz ZCLOKTOTNDDJBH-IBGZPJMESA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264975234 210029664 /nfs/dbraw/zinc/02/96/64/210029664.db2.gz ZCLOKTOTNDDJBH-IBGZPJMESA-N 2 2 359.518 0.410 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000332256313 215117004 /nfs/dbraw/zinc/11/70/04/215117004.db2.gz AECMPVYUDOHFIS-WBVHZDCISA-N 2 2 366.506 0.155 20 0 FCADLP CC(=O)N[C@@H](C)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000332362070 215136158 /nfs/dbraw/zinc/13/61/58/215136158.db2.gz JRHVUPDRCIDGMY-HNNXBMFYSA-N 2 2 360.506 0.965 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H]1C ZINC000332401050 215145891 /nfs/dbraw/zinc/14/58/91/215145891.db2.gz YEIVNFSEYQWKAJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H]1C ZINC000332401050 215145895 /nfs/dbraw/zinc/14/58/95/215145895.db2.gz YEIVNFSEYQWKAJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@H]1C ZINC000332401050 215145899 /nfs/dbraw/zinc/14/58/99/215145899.db2.gz YEIVNFSEYQWKAJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@H]1C ZINC000332401050 215145903 /nfs/dbraw/zinc/14/59/03/215145903.db2.gz YEIVNFSEYQWKAJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000332492883 215160076 /nfs/dbraw/zinc/16/00/76/215160076.db2.gz VTUURJSWQGSZMO-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000332492883 215160079 /nfs/dbraw/zinc/16/00/79/215160079.db2.gz VTUURJSWQGSZMO-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332526720 215169370 /nfs/dbraw/zinc/16/93/70/215169370.db2.gz COTPJZAOXAHEPM-XHSDSOJGSA-N 2 2 359.474 0.496 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000332517726 215166531 /nfs/dbraw/zinc/16/65/31/215166531.db2.gz IJAUTQDUDJNUTP-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000332517726 215166533 /nfs/dbraw/zinc/16/65/33/215166533.db2.gz IJAUTQDUDJNUTP-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[NH+](CCO)CC1)CC2 ZINC000332585938 215184972 /nfs/dbraw/zinc/18/49/72/215184972.db2.gz IKLYRGAIPZSONP-UHFFFAOYSA-N 2 2 363.458 0.198 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)CC2 ZINC000332585938 215184975 /nfs/dbraw/zinc/18/49/75/215184975.db2.gz IKLYRGAIPZSONP-UHFFFAOYSA-N 2 2 363.458 0.198 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000332704009 215205528 /nfs/dbraw/zinc/20/55/28/215205528.db2.gz XPNCLKLTOQULNB-WCXIOVBPSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000332704732 215206512 /nfs/dbraw/zinc/20/65/12/215206512.db2.gz GCDDGAGFIUZFLN-KURKYZTESA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@]3(CCO[C@@H]3C)C2)C1 ZINC000332932511 215219285 /nfs/dbraw/zinc/21/92/85/215219285.db2.gz IIXQTDDFXJASCX-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@]3(CCO[C@@H]3C)C2)C1 ZINC000332932511 215219287 /nfs/dbraw/zinc/21/92/87/215219287.db2.gz IIXQTDDFXJASCX-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)C1 ZINC000332932511 215219290 /nfs/dbraw/zinc/21/92/90/215219290.db2.gz IIXQTDDFXJASCX-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)C1 ZINC000332932511 215219295 /nfs/dbraw/zinc/21/92/95/215219295.db2.gz IIXQTDDFXJASCX-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1OCC[C@]1(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333023674 215225659 /nfs/dbraw/zinc/22/56/59/215225659.db2.gz KCGKJHBZXKGQCA-KSSFIOAISA-N 2 2 354.495 0.384 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000333164862 215244843 /nfs/dbraw/zinc/24/48/43/215244843.db2.gz HCGYLTLBJJVLEH-SOUVJXGZSA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)[nH+]cn1 ZINC000333164862 215244848 /nfs/dbraw/zinc/24/48/48/215244848.db2.gz HCGYLTLBJJVLEH-SOUVJXGZSA-N 2 2 359.478 0.738 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000333328806 215266107 /nfs/dbraw/zinc/26/61/07/215266107.db2.gz QVONGNNLBGIEKD-HNNXBMFYSA-N 2 2 365.522 0.854 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)([NH+]2CCOCC2)C1 ZINC000333488114 215288191 /nfs/dbraw/zinc/28/81/91/215288191.db2.gz CDESMZNWRGGLNV-RSIVFMTNSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333466834 215285296 /nfs/dbraw/zinc/28/52/96/215285296.db2.gz AIWNVBDUAYOMEE-MRLCAUJQSA-N 2 2 367.538 0.299 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333466834 215285299 /nfs/dbraw/zinc/28/52/99/215285299.db2.gz AIWNVBDUAYOMEE-MRLCAUJQSA-N 2 2 367.538 0.299 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333466826 215286293 /nfs/dbraw/zinc/28/62/93/215286293.db2.gz AIWNVBDUAYOMEE-KNXWPPODSA-N 2 2 367.538 0.299 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333466826 215286295 /nfs/dbraw/zinc/28/62/95/215286295.db2.gz AIWNVBDUAYOMEE-KNXWPPODSA-N 2 2 367.538 0.299 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000333524377 215292944 /nfs/dbraw/zinc/29/29/44/215292944.db2.gz WXYYGTJZNRBNHB-MSOLQXFVSA-N 2 2 353.507 0.935 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000333524377 215292949 /nfs/dbraw/zinc/29/29/49/215292949.db2.gz WXYYGTJZNRBNHB-MSOLQXFVSA-N 2 2 353.507 0.935 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000333689267 215309281 /nfs/dbraw/zinc/30/92/81/215309281.db2.gz PORJTMOZTJZHGQ-SJORKVTESA-N 2 2 365.522 0.714 20 0 FCADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)s1 ZINC000333738312 215314902 /nfs/dbraw/zinc/31/49/02/215314902.db2.gz XERALQFHRIFHFH-CQSZACIVSA-N 2 2 353.492 0.657 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333853378 215324580 /nfs/dbraw/zinc/32/45/80/215324580.db2.gz QLNAYWIZODFYCY-UHFFFAOYSA-N 2 2 372.477 0.857 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333851169 215324633 /nfs/dbraw/zinc/32/46/33/215324633.db2.gz QBBTZRLBSMHRMY-ARFHVFGLSA-N 2 2 351.495 0.465 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000333959059 215333151 /nfs/dbraw/zinc/33/31/51/215333151.db2.gz JRFWVEVMOIJQPE-BETUJISGSA-N 2 2 360.462 0.750 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000333959059 215333154 /nfs/dbraw/zinc/33/31/54/215333154.db2.gz JRFWVEVMOIJQPE-BETUJISGSA-N 2 2 360.462 0.750 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000334104699 215344182 /nfs/dbraw/zinc/34/41/82/215344182.db2.gz XPOALCFXHZYFBE-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000334104699 215344187 /nfs/dbraw/zinc/34/41/87/215344187.db2.gz XPOALCFXHZYFBE-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC[N@H+]2CCCOCC2)C[C@H](C)O1 ZINC000334104699 215344194 /nfs/dbraw/zinc/34/41/94/215344194.db2.gz XPOALCFXHZYFBE-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000360509733 215362469 /nfs/dbraw/zinc/36/24/69/215362469.db2.gz ZEWPVPGQNGCLKX-KRWDZBQOSA-N 2 2 374.551 0.462 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000360509733 215362471 /nfs/dbraw/zinc/36/24/71/215362471.db2.gz ZEWPVPGQNGCLKX-KRWDZBQOSA-N 2 2 374.551 0.462 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@H]2C1 ZINC000285617879 213367375 /nfs/dbraw/zinc/36/73/75/213367375.db2.gz MPUNNRLPJCBROT-IRXDYDNUSA-N 2 2 371.485 0.851 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@H]2C1 ZINC000285617879 213367379 /nfs/dbraw/zinc/36/73/79/213367379.db2.gz MPUNNRLPJCBROT-IRXDYDNUSA-N 2 2 371.485 0.851 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000285552698 213358556 /nfs/dbraw/zinc/35/85/56/213358556.db2.gz IQZLMTSVJZCBTL-INIZCTEOSA-N 2 2 365.478 0.171 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000285106840 213283785 /nfs/dbraw/zinc/28/37/85/213283785.db2.gz QKWOYQSDWWUXKA-UHFFFAOYSA-N 2 2 359.405 0.838 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000285059567 213275309 /nfs/dbraw/zinc/27/53/09/213275309.db2.gz FJATYXRJLDGGJU-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000285059567 213275312 /nfs/dbraw/zinc/27/53/12/213275312.db2.gz FJATYXRJLDGGJU-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000284769545 213216113 /nfs/dbraw/zinc/21/61/13/213216113.db2.gz DJSIRPRCUPGOKS-ZOMKSWQUSA-N 2 2 362.478 0.912 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000284615840 213181010 /nfs/dbraw/zinc/18/10/10/213181010.db2.gz XTQIRUQBDOQEKA-UHFFFAOYSA-N 2 2 372.473 0.093 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540434 213165293 /nfs/dbraw/zinc/16/52/93/213165293.db2.gz SIPCVESGMQOZKU-WMLDXEAASA-N 2 2 371.485 0.897 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540434 213165297 /nfs/dbraw/zinc/16/52/97/213165297.db2.gz SIPCVESGMQOZKU-WMLDXEAASA-N 2 2 371.485 0.897 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nccs1 ZINC000284398577 213131132 /nfs/dbraw/zinc/13/11/32/213131132.db2.gz PPKPIMAIKPKILV-UHFFFAOYSA-N 2 2 353.492 0.244 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nccs1 ZINC000284398577 213131136 /nfs/dbraw/zinc/13/11/36/213131136.db2.gz PPKPIMAIKPKILV-UHFFFAOYSA-N 2 2 353.492 0.244 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000284361314 213120413 /nfs/dbraw/zinc/12/04/13/213120413.db2.gz OPENJKUILSALJU-MRXNPFEDSA-N 2 2 373.432 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000284361314 213120416 /nfs/dbraw/zinc/12/04/16/213120416.db2.gz OPENJKUILSALJU-MRXNPFEDSA-N 2 2 373.432 0.975 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccco1 ZINC000284352048 213117313 /nfs/dbraw/zinc/11/73/13/213117313.db2.gz KUBYXXNXRGZODB-ZDUSSCGKSA-N 2 2 354.476 0.164 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284073781 213069165 /nfs/dbraw/zinc/06/91/65/213069165.db2.gz TWAMCBMUKOWJJE-HOCLYGCPSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284073781 213069172 /nfs/dbraw/zinc/06/91/72/213069172.db2.gz TWAMCBMUKOWJJE-HOCLYGCPSA-N 2 2 355.442 0.893 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000284076343 213068619 /nfs/dbraw/zinc/06/86/19/213068619.db2.gz UDMPZBIRPUDKRZ-UHFFFAOYSA-N 2 2 359.430 0.178 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000284043478 213061818 /nfs/dbraw/zinc/06/18/18/213061818.db2.gz SIXILVSXQIIUKX-VYDXJSESSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000284043478 213061822 /nfs/dbraw/zinc/06/18/22/213061822.db2.gz SIXILVSXQIIUKX-VYDXJSESSA-N 2 2 359.474 0.863 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000283998014 213052971 /nfs/dbraw/zinc/05/29/71/213052971.db2.gz NLCRJHFEOMIZAO-UHFFFAOYSA-N 2 2 357.458 0.841 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000283995209 213050721 /nfs/dbraw/zinc/05/07/21/213050721.db2.gz GQWHMSJKMPGBOI-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000283995209 213050723 /nfs/dbraw/zinc/05/07/23/213050723.db2.gz GQWHMSJKMPGBOI-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283888752 213028405 /nfs/dbraw/zinc/02/84/05/213028405.db2.gz IFPAWJZEWMWOIS-CZUORRHYSA-N 2 2 355.442 0.592 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283888752 213028409 /nfs/dbraw/zinc/02/84/09/213028409.db2.gz IFPAWJZEWMWOIS-CZUORRHYSA-N 2 2 355.442 0.592 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000283763997 213004059 /nfs/dbraw/zinc/00/40/59/213004059.db2.gz BUCNBVPNJDALNO-CJNGLKHVSA-N 2 2 361.421 0.946 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000411922660 237107762 /nfs/dbraw/zinc/10/77/62/237107762.db2.gz LZWOXSOGSWTJCV-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000411922660 237107766 /nfs/dbraw/zinc/10/77/66/237107766.db2.gz LZWOXSOGSWTJCV-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)CC2)c1 ZINC000412056891 237156352 /nfs/dbraw/zinc/15/63/52/237156352.db2.gz VKLYLEXVOYYDPD-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@@H](CO)C3)CC2)c1 ZINC000412056891 237156364 /nfs/dbraw/zinc/15/63/64/237156364.db2.gz VKLYLEXVOYYDPD-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000412093878 237163779 /nfs/dbraw/zinc/16/37/79/237163779.db2.gz PKCGHUHHYIZSGN-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000412093878 237163781 /nfs/dbraw/zinc/16/37/81/237163781.db2.gz PKCGHUHHYIZSGN-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000412093878 237163794 /nfs/dbraw/zinc/16/37/94/237163794.db2.gz PKCGHUHHYIZSGN-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000412093878 237163805 /nfs/dbraw/zinc/16/38/05/237163805.db2.gz PKCGHUHHYIZSGN-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791778 216031649 /nfs/dbraw/zinc/03/16/49/216031649.db2.gz DAGNRBXKCLVTEF-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791778 216031651 /nfs/dbraw/zinc/03/16/51/216031651.db2.gz DAGNRBXKCLVTEF-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP COCCCn1nccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000366980609 216058881 /nfs/dbraw/zinc/05/88/81/216058881.db2.gz HPJOBMYGJBGOOA-KRWDZBQOSA-N 2 2 351.495 0.416 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)CN1CC[NH+]1CCOCC1 ZINC000367085615 216072105 /nfs/dbraw/zinc/07/21/05/216072105.db2.gz QQUDHBFIQIKRNC-DLBZAZTESA-N 2 2 351.491 0.858 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246348050 209384678 /nfs/dbraw/zinc/38/46/78/209384678.db2.gz CTVWPEOWOPNMLP-FJIDUMEYSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000246348050 209384682 /nfs/dbraw/zinc/38/46/82/209384682.db2.gz CTVWPEOWOPNMLP-FJIDUMEYSA-N 2 2 368.522 0.990 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000246476897 209389684 /nfs/dbraw/zinc/38/96/84/209389684.db2.gz OZLGCFONTQMVCC-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000245413227 209367930 /nfs/dbraw/zinc/36/79/30/209367930.db2.gz BEZZFIKESRMFKB-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H]1C ZINC000245413227 209367935 /nfs/dbraw/zinc/36/79/35/209367935.db2.gz BEZZFIKESRMFKB-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H]1C ZINC000245413227 209367936 /nfs/dbraw/zinc/36/79/36/209367936.db2.gz BEZZFIKESRMFKB-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000245413227 209367928 /nfs/dbraw/zinc/36/79/28/209367928.db2.gz BEZZFIKESRMFKB-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246126019 209380308 /nfs/dbraw/zinc/38/03/08/209380308.db2.gz IQYFZDQLICGFKM-ZWKOTPCHSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246126019 209380311 /nfs/dbraw/zinc/38/03/11/209380311.db2.gz IQYFZDQLICGFKM-ZWKOTPCHSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246145053 209379387 /nfs/dbraw/zinc/37/93/87/209379387.db2.gz OFDWOZRDOMUSLL-WCXIOVBPSA-N 2 2 354.495 0.458 20 0 FCADLP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237994034 209362327 /nfs/dbraw/zinc/36/23/27/209362327.db2.gz ZYGURSIDXOAKCW-UHFFFAOYSA-N 2 2 370.457 0.866 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000237955765 209362096 /nfs/dbraw/zinc/36/20/96/209362096.db2.gz HYQZFZCXVQAYBA-QGZVFWFLSA-N 2 2 360.458 0.829 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237650530 209355175 /nfs/dbraw/zinc/35/51/75/209355175.db2.gz XBJKUWWCWLBILS-CVEARBPZSA-N 2 2 368.547 0.627 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000237444054 209352912 /nfs/dbraw/zinc/35/29/12/209352912.db2.gz HCLNJHHCDASSOJ-HXUWFJFHSA-N 2 2 374.485 0.569 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000237215062 209349107 /nfs/dbraw/zinc/34/91/07/209349107.db2.gz QWBOXPHNDCDJRT-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)([NH+]2CCOCC2)C1 ZINC000194990082 209331541 /nfs/dbraw/zinc/33/15/41/209331541.db2.gz GALCEESHQFCHMW-MUYFXNHWSA-N 2 2 368.522 0.849 20 0 FCADLP CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000236826196 209344229 /nfs/dbraw/zinc/34/42/29/209344229.db2.gz FIUKYWSMTDRHGP-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195328282 209336096 /nfs/dbraw/zinc/33/60/96/209336096.db2.gz QMIVADSPGVSWJQ-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000194021957 209321950 /nfs/dbraw/zinc/32/19/50/209321950.db2.gz HUHMRQVABBPPAD-RTBURBONSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000194021957 209321951 /nfs/dbraw/zinc/32/19/51/209321951.db2.gz HUHMRQVABBPPAD-RTBURBONSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193814947 209319064 /nfs/dbraw/zinc/31/90/64/209319064.db2.gz NJNNYVHKAWQADZ-HNNXBMFYSA-N 2 2 362.474 0.979 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000194940390 209329847 /nfs/dbraw/zinc/32/98/47/209329847.db2.gz WPCDYZXHEWXIRK-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000194940390 209329848 /nfs/dbraw/zinc/32/98/48/209329848.db2.gz WPCDYZXHEWXIRK-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000194940390 209329851 /nfs/dbraw/zinc/32/98/51/209329851.db2.gz WPCDYZXHEWXIRK-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000194940390 209329855 /nfs/dbraw/zinc/32/98/55/209329855.db2.gz WPCDYZXHEWXIRK-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C(=O)NCC[C@H]3C)CC2)cc1 ZINC000193612960 209314412 /nfs/dbraw/zinc/31/44/12/209314412.db2.gz DRQINUVIATYNGD-DNVCBOLYSA-N 2 2 374.485 0.454 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC[C@H](C)[NH3+])CC2)cc1 ZINC000193314017 209312061 /nfs/dbraw/zinc/31/20/61/209312061.db2.gz XDQGASUGLUMBPZ-HNNXBMFYSA-N 2 2 362.474 0.697 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391868 216241406 /nfs/dbraw/zinc/24/14/06/216241406.db2.gz YKQRYJJVZKHHDC-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391868 216241408 /nfs/dbraw/zinc/24/14/08/216241408.db2.gz YKQRYJJVZKHHDC-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC(C(=O)OC)=NO3)CC2)CC1 ZINC000368477418 216252947 /nfs/dbraw/zinc/25/29/47/216252947.db2.gz HCCGALXCJLVXPI-AWEZNQCLSA-N 2 2 366.462 0.323 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000368679318 216279693 /nfs/dbraw/zinc/27/96/93/216279693.db2.gz AZCDBLLNQAMPMN-IAGOWNOFSA-N 2 2 353.507 0.650 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)[C@H](C)[NH3+] ZINC000192102686 209296202 /nfs/dbraw/zinc/29/62/02/209296202.db2.gz UWYBXDVACXKDED-OLZOCXBDSA-N 2 2 354.476 0.545 20 0 FCADLP C[NH+]1CCC(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000368885710 216312797 /nfs/dbraw/zinc/31/27/97/216312797.db2.gz ORSWSOXCPJWNHH-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@]4(CCOC4)OC(C)(C)C3)cn2)CC1 ZINC000369134913 216353747 /nfs/dbraw/zinc/35/37/47/216353747.db2.gz QYPQQKHMICPVBG-LJQANCHMSA-N 2 2 361.490 0.998 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@]4(CCOC4)OC(C)(C)C3)cn2)CC1 ZINC000369134913 216353750 /nfs/dbraw/zinc/35/37/50/216353750.db2.gz QYPQQKHMICPVBG-LJQANCHMSA-N 2 2 361.490 0.998 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000369153801 216354862 /nfs/dbraw/zinc/35/48/62/216354862.db2.gz SBUVQSKCYHMAJQ-AEFFLSMTSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000369153801 216354865 /nfs/dbraw/zinc/35/48/65/216354865.db2.gz SBUVQSKCYHMAJQ-AEFFLSMTSA-N 2 2 351.491 0.811 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169756 216357877 /nfs/dbraw/zinc/35/78/77/216357877.db2.gz INGSOBUAYFTUDM-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169756 216357879 /nfs/dbraw/zinc/35/78/79/216357879.db2.gz INGSOBUAYFTUDM-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000369248984 216371139 /nfs/dbraw/zinc/37/11/39/216371139.db2.gz GWGMLKYZWCQLSX-CGTJXYLNSA-N 2 2 363.506 0.861 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000369248984 216371140 /nfs/dbraw/zinc/37/11/40/216371140.db2.gz GWGMLKYZWCQLSX-CGTJXYLNSA-N 2 2 363.506 0.861 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000369265470 216373134 /nfs/dbraw/zinc/37/31/34/216373134.db2.gz HEPHNQPQTCZJOA-HNNXBMFYSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000369265470 216373137 /nfs/dbraw/zinc/37/31/37/216373137.db2.gz HEPHNQPQTCZJOA-HNNXBMFYSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4sccn4c3=O)C2)CC1 ZINC000369274104 216376831 /nfs/dbraw/zinc/37/68/31/216376831.db2.gz MOQYQNIKQJJBJE-LBPRGKRZSA-N 2 2 361.471 0.654 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4sccn4c3=O)C2)CC1 ZINC000369274104 216376834 /nfs/dbraw/zinc/37/68/34/216376834.db2.gz MOQYQNIKQJJBJE-LBPRGKRZSA-N 2 2 361.471 0.654 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372347 216391159 /nfs/dbraw/zinc/39/11/59/216391159.db2.gz IHEUSAMZLZDHCC-KRWDZBQOSA-N 3 2 367.538 0.519 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372347 216391162 /nfs/dbraw/zinc/39/11/62/216391162.db2.gz IHEUSAMZLZDHCC-KRWDZBQOSA-N 3 2 367.538 0.519 20 0 FCADLP CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374320 216391253 /nfs/dbraw/zinc/39/12/53/216391253.db2.gz RLGHYNDQAPEDBT-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374320 216391256 /nfs/dbraw/zinc/39/12/56/216391256.db2.gz RLGHYNDQAPEDBT-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000189723454 209257761 /nfs/dbraw/zinc/25/77/61/209257761.db2.gz WXTZECDKFKTZQY-QFBILLFUSA-N 2 2 361.486 0.709 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000276644160 212271263 /nfs/dbraw/zinc/27/12/63/212271263.db2.gz SVDNQVDHDTUXKF-OKILXGFUSA-N 2 2 360.462 0.901 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000187980718 209221079 /nfs/dbraw/zinc/22/10/79/209221079.db2.gz NISRTRDGQKYJCY-DLBZAZTESA-N 2 2 350.438 0.441 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(Cn3cncn3)CC2)CC1 ZINC000187714302 209217912 /nfs/dbraw/zinc/21/79/12/209217912.db2.gz FZSQUHFOIWRVHS-UHFFFAOYSA-N 2 2 363.510 0.726 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000187240157 209208803 /nfs/dbraw/zinc/20/88/03/209208803.db2.gz QKZKNJAVFPRQME-UHFFFAOYSA-N 3 2 355.527 0.158 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000187240157 209208806 /nfs/dbraw/zinc/20/88/06/209208806.db2.gz QKZKNJAVFPRQME-UHFFFAOYSA-N 3 2 355.527 0.158 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000186868831 209202152 /nfs/dbraw/zinc/20/21/52/209202152.db2.gz HZBBNSOWSSCHGD-IEBWSBKVSA-N 2 2 360.502 0.500 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186705130 209195921 /nfs/dbraw/zinc/19/59/21/209195921.db2.gz KYGNETHMUWXGGI-HNNXBMFYSA-N 2 2 354.414 0.304 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186624413 209193884 /nfs/dbraw/zinc/19/38/84/209193884.db2.gz ZOYHUBWGDNWZLR-KRWDZBQOSA-N 2 2 353.426 0.909 20 0 FCADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)c2C1 ZINC000186283599 209189240 /nfs/dbraw/zinc/18/92/40/209189240.db2.gz FESBUMXHOBZUSU-UHFFFAOYSA-N 2 2 360.458 0.487 20 0 FCADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)c2C1 ZINC000186283599 209189242 /nfs/dbraw/zinc/18/92/42/209189242.db2.gz FESBUMXHOBZUSU-UHFFFAOYSA-N 2 2 360.458 0.487 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)CO ZINC000276211729 212187040 /nfs/dbraw/zinc/18/70/40/212187040.db2.gz OZWJXEPYZZVDRJ-HZPDHXFCSA-N 2 2 365.474 0.521 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)CO ZINC000276211729 212187043 /nfs/dbraw/zinc/18/70/43/212187043.db2.gz OZWJXEPYZZVDRJ-HZPDHXFCSA-N 2 2 365.474 0.521 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275768949 212087245 /nfs/dbraw/zinc/08/72/45/212087245.db2.gz HHEUPURCSWELEE-UHFFFAOYSA-N 2 2 362.474 0.520 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000414816788 245327303 /nfs/dbraw/zinc/32/73/03/245327303.db2.gz QRODFLHALABCSH-KGLIPLIRSA-N 2 2 360.458 0.496 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000415230692 245364329 /nfs/dbraw/zinc/36/43/29/245364329.db2.gz NQSDOGQAHUDKCD-HOCLYGCPSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415268458 245373348 /nfs/dbraw/zinc/37/33/48/245373348.db2.gz JSGDZWNXRISCEE-ZBFHGGJFSA-N 2 2 360.458 0.968 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000415276080 245374134 /nfs/dbraw/zinc/37/41/34/245374134.db2.gz ZWHSFZIDJDESBY-UHFFFAOYSA-N 2 2 373.501 0.712 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)c3cccc(O)c3)CC2)CC1 ZINC000275374975 212014769 /nfs/dbraw/zinc/01/47/69/212014769.db2.gz VYWBBXRXYOESEA-UHFFFAOYSA-N 2 2 374.485 0.797 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000184984564 209171047 /nfs/dbraw/zinc/17/10/47/209171047.db2.gz PBPWZEXAMDIEKA-LSDHHAIUSA-N 2 2 362.478 0.726 20 0 FCADLP Cn1cc(N2CC[NH+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000184977210 209171126 /nfs/dbraw/zinc/17/11/26/209171126.db2.gz FZJZTIWQEDUNSI-IBGZPJMESA-N 2 2 370.501 0.961 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000415364510 245399924 /nfs/dbraw/zinc/39/99/24/245399924.db2.gz SGFULWMZSYJFGM-KRWDZBQOSA-N 2 2 373.501 0.570 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3([S@@](C)=O)CCC3)C2)CC1 ZINC000373867437 217069953 /nfs/dbraw/zinc/06/99/53/217069953.db2.gz ADZKZWWZGUFFNP-LFPIHBKWSA-N 2 2 356.536 0.755 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3([S@@](C)=O)CCC3)C2)CC1 ZINC000373867437 217069955 /nfs/dbraw/zinc/06/99/55/217069955.db2.gz ADZKZWWZGUFFNP-LFPIHBKWSA-N 2 2 356.536 0.755 20 0 FCADLP Cc1nccnc1N1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000374220024 217108818 /nfs/dbraw/zinc/10/88/18/217108818.db2.gz ZLXZMPOPLRMCIZ-UHFFFAOYSA-N 2 2 368.489 0.649 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217586 217109421 /nfs/dbraw/zinc/10/94/21/217109421.db2.gz AHPDGFKYJPVALQ-ROUUACIJSA-N 2 2 374.533 0.902 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217586 217109424 /nfs/dbraw/zinc/10/94/24/217109424.db2.gz AHPDGFKYJPVALQ-ROUUACIJSA-N 2 2 374.533 0.902 20 0 FCADLP COCC[C@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000374453867 217131248 /nfs/dbraw/zinc/13/12/48/217131248.db2.gz WBSPPIDJEYMRAV-HNAYVOBHSA-N 2 2 362.474 0.939 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374423756 217128799 /nfs/dbraw/zinc/12/87/99/217128799.db2.gz XNSHPUQXPLSLFA-GBJTYRQASA-N 2 2 356.467 0.031 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374423756 217128801 /nfs/dbraw/zinc/12/88/01/217128801.db2.gz XNSHPUQXPLSLFA-GBJTYRQASA-N 2 2 356.467 0.031 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cncc(-n4ccnn4)c3)C2)CC1 ZINC000374765376 217168639 /nfs/dbraw/zinc/16/86/39/217168639.db2.gz JVMRDBRBPOQCGS-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cncc(-n4ccnn4)c3)C2)CC1 ZINC000374765376 217168641 /nfs/dbraw/zinc/16/86/41/217168641.db2.gz JVMRDBRBPOQCGS-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000182675138 209135442 /nfs/dbraw/zinc/13/54/42/209135442.db2.gz GNUBLHNJDKXZQG-HZPDHXFCSA-N 2 2 371.507 0.245 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC[NH2+]CC1 ZINC000182166329 209127655 /nfs/dbraw/zinc/12/76/55/209127655.db2.gz BGHRLBRMTNFEMY-MRXNPFEDSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC[NH2+]CC1 ZINC000182166329 209127659 /nfs/dbraw/zinc/12/76/59/209127659.db2.gz BGHRLBRMTNFEMY-MRXNPFEDSA-N 2 2 374.489 0.398 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340576 217252190 /nfs/dbraw/zinc/25/21/90/217252190.db2.gz FOLKXYITVLBDEU-YJBOKZPZSA-N 2 2 364.494 0.305 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340576 217252192 /nfs/dbraw/zinc/25/21/92/217252192.db2.gz FOLKXYITVLBDEU-YJBOKZPZSA-N 2 2 364.494 0.305 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000376193792 217367838 /nfs/dbraw/zinc/36/78/38/217367838.db2.gz GAQNAQUHQUUJMF-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418411480 245784579 /nfs/dbraw/zinc/78/45/79/245784579.db2.gz FUCAQTHMDBDKCO-HZPDHXFCSA-N 2 2 371.526 0.228 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376364787 217389975 /nfs/dbraw/zinc/38/99/75/217389975.db2.gz LAPPYBKRYVHPCY-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376364787 217389977 /nfs/dbraw/zinc/38/99/77/217389977.db2.gz LAPPYBKRYVHPCY-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376323514 217385476 /nfs/dbraw/zinc/38/54/76/217385476.db2.gz QFTYWZWXAZVYKV-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419116831 245990460 /nfs/dbraw/zinc/99/04/60/245990460.db2.gz LNMRUQIODONURB-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000419122776 245998070 /nfs/dbraw/zinc/99/80/70/245998070.db2.gz UQBFIKRLKSGVPQ-BZUAXINKSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419125368 245999784 /nfs/dbraw/zinc/99/97/84/245999784.db2.gz ZQBOAZJMIJNUQT-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419133315 246009419 /nfs/dbraw/zinc/00/94/19/246009419.db2.gz FQJWNIQCJQXCMW-HNNXBMFYSA-N 2 2 357.458 0.714 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[NH2+]C1 ZINC000419210174 246057909 /nfs/dbraw/zinc/05/79/09/246057909.db2.gz UNKMAHUBNFFMGW-LJQANCHMSA-N 2 2 359.474 0.804 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c[nH+]1 ZINC000419201604 246049837 /nfs/dbraw/zinc/04/98/37/246049837.db2.gz FZPRWHVMBUEKJG-CVEARBPZSA-N 2 2 359.474 0.612 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000419201546 246050393 /nfs/dbraw/zinc/05/03/93/246050393.db2.gz FUKIBFRRMKNLAC-MRXNPFEDSA-N 2 2 359.474 0.802 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c[nH+]2)CC1 ZINC000419209631 246054332 /nfs/dbraw/zinc/05/43/32/246054332.db2.gz TYCDPVDWGDQIKZ-MRXNPFEDSA-N 2 2 359.474 0.788 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CC1 ZINC000419295589 246088193 /nfs/dbraw/zinc/08/81/93/246088193.db2.gz ANZMZRQDBZNESR-INIZCTEOSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[C@H]1[NH3+] ZINC000419305240 246093711 /nfs/dbraw/zinc/09/37/11/246093711.db2.gz KWTUUEIJHOSIDO-GOEBONIOSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000419411149 246145228 /nfs/dbraw/zinc/14/52/28/246145228.db2.gz POMWGQGSBDOJQV-RCCFBDPRSA-N 2 2 370.538 0.830 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419705742 246260758 /nfs/dbraw/zinc/26/07/58/246260758.db2.gz BEQAKKAKWYJWMP-ZDUSSCGKSA-N 2 2 364.877 0.635 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419705742 246260764 /nfs/dbraw/zinc/26/07/64/246260764.db2.gz BEQAKKAKWYJWMP-ZDUSSCGKSA-N 2 2 364.877 0.635 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC000419719174 246267329 /nfs/dbraw/zinc/26/73/29/246267329.db2.gz GAPQRKOYTQWCQR-GOEBONIOSA-N 2 2 359.405 0.482 20 0 FCADLP [NH3+]CCCNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000419832031 246309344 /nfs/dbraw/zinc/30/93/44/246309344.db2.gz IRDFIUPJFCKHQM-CQSZACIVSA-N 2 2 361.446 0.127 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)c1 ZINC000419832339 246310224 /nfs/dbraw/zinc/31/02/24/246310224.db2.gz NRMRORUYNYNIGM-OAHLLOKOSA-N 2 2 362.474 0.756 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419835673 246312983 /nfs/dbraw/zinc/31/29/83/246312983.db2.gz ANSVGSLQFVNCPH-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419838569 246314268 /nfs/dbraw/zinc/31/42/68/246314268.db2.gz GEQGINVZURRGLB-INIZCTEOSA-N 2 2 360.458 0.078 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419846041 246318435 /nfs/dbraw/zinc/31/84/35/246318435.db2.gz QUMPCBLPVFWRBI-MTIYJEKLSA-N 2 2 356.470 0.712 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419849381 246319665 /nfs/dbraw/zinc/31/96/65/246319665.db2.gz YJDMRILBLMDTAI-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000419853342 246324235 /nfs/dbraw/zinc/32/42/35/246324235.db2.gz AOISZSZEHPKQGS-KSSFIOAISA-N 2 2 374.485 0.754 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419881626 246348500 /nfs/dbraw/zinc/34/85/00/246348500.db2.gz BIAGFMDJMJNCCO-INIZCTEOSA-N 2 2 360.458 0.078 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419885664 246349549 /nfs/dbraw/zinc/34/95/49/246349549.db2.gz KKBGTHGAGFHVHS-YESZJQIVSA-N 2 2 373.501 0.791 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419885662 246350252 /nfs/dbraw/zinc/35/02/52/246350252.db2.gz KKBGTHGAGFHVHS-GVDBMIGSSA-N 2 2 373.501 0.791 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419884597 246350885 /nfs/dbraw/zinc/35/08/85/246350885.db2.gz GCHQDCWECBEBLH-HNNXBMFYSA-N 2 2 359.474 0.794 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419944009 246380796 /nfs/dbraw/zinc/38/07/96/246380796.db2.gz QMHHCEKAOKSDML-AWEZNQCLSA-N 2 2 350.438 0.571 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419944009 246380801 /nfs/dbraw/zinc/38/08/01/246380801.db2.gz QMHHCEKAOKSDML-AWEZNQCLSA-N 2 2 350.438 0.571 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000419958490 246387029 /nfs/dbraw/zinc/38/70/29/246387029.db2.gz CBBXADRTVBLTLO-OAHLLOKOSA-N 2 2 362.478 0.078 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000419959056 246389230 /nfs/dbraw/zinc/38/92/30/246389230.db2.gz CXNQYUBUMLPUBB-INIZCTEOSA-N 2 2 359.474 0.754 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC2)s1 ZINC000419962766 246389611 /nfs/dbraw/zinc/38/96/11/246389611.db2.gz YGOFBCUMDKORJG-CQSZACIVSA-N 2 2 366.531 0.926 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000419965099 246390305 /nfs/dbraw/zinc/39/03/05/246390305.db2.gz GNCOHFJKQODYDF-BBWFWOEESA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980500 246399509 /nfs/dbraw/zinc/39/95/09/246399509.db2.gz QZWADRYCMIYOGB-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980500 246399515 /nfs/dbraw/zinc/39/95/15/246399515.db2.gz QZWADRYCMIYOGB-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000423114578 246964911 /nfs/dbraw/zinc/96/49/11/246964911.db2.gz LSHDEUKJVCHHCK-CQSZACIVSA-N 2 2 350.488 0.255 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CC1(C[NH3+])CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000423349371 247008752 /nfs/dbraw/zinc/00/87/52/247008752.db2.gz WJQLGQGXOGGHGA-GOEBONIOSA-N 2 2 354.495 0.095 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000423357838 247011554 /nfs/dbraw/zinc/01/15/54/247011554.db2.gz BABLGFOCSGTDDI-YESZJQIVSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000423372798 247012833 /nfs/dbraw/zinc/01/28/33/247012833.db2.gz HEDKREPWKMMXNQ-KRWDZBQOSA-N 2 2 373.501 0.087 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C[C@H]21 ZINC000423394532 247020909 /nfs/dbraw/zinc/02/09/09/247020909.db2.gz ZWNDGWOKBAERJD-RKTXRCNFSA-N 2 2 358.442 0.647 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423310670 247000640 /nfs/dbraw/zinc/00/06/40/247000640.db2.gz AQJDJQAKWMOGRJ-JZXOWHBKSA-N 2 2 373.501 0.873 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423547050 247048212 /nfs/dbraw/zinc/04/82/12/247048212.db2.gz CEIJZTQHUNFUQE-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000423579051 247059466 /nfs/dbraw/zinc/05/94/66/247059466.db2.gz NIZFDTSRWNPJKT-LSDHHAIUSA-N 2 2 359.474 0.875 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423599547 247067983 /nfs/dbraw/zinc/06/79/83/247067983.db2.gz YADHVPFTGBAAGC-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423599547 247067987 /nfs/dbraw/zinc/06/79/87/247067987.db2.gz YADHVPFTGBAAGC-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423439710 247027604 /nfs/dbraw/zinc/02/76/04/247027604.db2.gz WKMYZHFVDQBOPY-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685609 247108377 /nfs/dbraw/zinc/10/83/77/247108377.db2.gz SMQZKXNXMODNIP-QKPAOTATSA-N 2 2 354.495 0.282 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685609 247108381 /nfs/dbraw/zinc/10/83/81/247108381.db2.gz SMQZKXNXMODNIP-QKPAOTATSA-N 2 2 354.495 0.282 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423688435 247110192 /nfs/dbraw/zinc/11/01/92/247110192.db2.gz WUYUNNVHDONQPN-WBVHZDCISA-N 3 2 367.538 0.199 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423688435 247110196 /nfs/dbraw/zinc/11/01/96/247110196.db2.gz WUYUNNVHDONQPN-WBVHZDCISA-N 3 2 367.538 0.199 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423630413 247083421 /nfs/dbraw/zinc/08/34/21/247083421.db2.gz LGHCLTPQKXPSHY-UONOGXRCSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423631400 247084212 /nfs/dbraw/zinc/08/42/12/247084212.db2.gz ZUBRVWKFEBFUJV-DOTOQJQBSA-N 2 2 359.474 0.627 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000423635673 247085723 /nfs/dbraw/zinc/08/57/23/247085723.db2.gz ALORERDSXWLRFE-DOTOQJQBSA-N 2 2 374.485 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423646966 247089868 /nfs/dbraw/zinc/08/98/68/247089868.db2.gz ZUNPZIIJOBPKCD-SJORKVTESA-N 2 2 374.485 0.418 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000423662182 247099411 /nfs/dbraw/zinc/09/94/11/247099411.db2.gz DPIXGOXUOULKHW-MRXNPFEDSA-N 2 2 355.442 0.724 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423662398 247099701 /nfs/dbraw/zinc/09/97/01/247099701.db2.gz FKDZELAWJKRVEV-KBPBESRZSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423662406 247099833 /nfs/dbraw/zinc/09/98/33/247099833.db2.gz FKDZELAWJKRVEV-ZIAGYGMSSA-N 2 2 350.488 0.588 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423746790 247138251 /nfs/dbraw/zinc/13/82/51/247138251.db2.gz PPERUYUTSZERGO-KRWDZBQOSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423746790 247138253 /nfs/dbraw/zinc/13/82/53/247138253.db2.gz PPERUYUTSZERGO-KRWDZBQOSA-N 3 2 367.538 0.071 20 0 FCADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000423773703 247142617 /nfs/dbraw/zinc/14/26/17/247142617.db2.gz MIFNYKAJQVXUIT-MRXNPFEDSA-N 2 2 362.478 0.335 20 0 FCADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000423773703 247142622 /nfs/dbraw/zinc/14/26/22/247142622.db2.gz MIFNYKAJQVXUIT-MRXNPFEDSA-N 2 2 362.478 0.335 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000423775280 247142855 /nfs/dbraw/zinc/14/28/55/247142855.db2.gz OPOBANFBBVRMHL-OAHLLOKOSA-N 2 2 360.462 0.104 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000423775280 247142859 /nfs/dbraw/zinc/14/28/59/247142859.db2.gz OPOBANFBBVRMHL-OAHLLOKOSA-N 2 2 360.462 0.104 20 0 FCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423870343 247145358 /nfs/dbraw/zinc/14/53/58/247145358.db2.gz OVXRRXZLCCEQRL-GOSISDBHSA-N 3 2 352.523 0.759 20 0 FCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423870343 247145363 /nfs/dbraw/zinc/14/53/63/247145363.db2.gz OVXRRXZLCCEQRL-GOSISDBHSA-N 3 2 352.523 0.759 20 0 FCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000423863397 247146317 /nfs/dbraw/zinc/14/63/17/247146317.db2.gz HZAOJEVVGUXAQA-IAGOWNOFSA-N 2 2 361.490 0.990 20 0 FCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000423863397 247146324 /nfs/dbraw/zinc/14/63/24/247146324.db2.gz HZAOJEVVGUXAQA-IAGOWNOFSA-N 2 2 361.490 0.990 20 0 FCADLP CS(=O)(=O)C1(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC[NH2+]CC1 ZINC000423708996 247118947 /nfs/dbraw/zinc/11/89/47/247118947.db2.gz HYUVDRXTGFEUFH-UHFFFAOYSA-N 2 2 357.520 0.630 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000423724466 247127162 /nfs/dbraw/zinc/12/71/62/247127162.db2.gz HGXASAPVUYCOGE-NZSAHSFTSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000423724466 247127168 /nfs/dbraw/zinc/12/71/68/247127168.db2.gz HGXASAPVUYCOGE-NZSAHSFTSA-N 2 2 372.513 0.958 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000423736916 247132157 /nfs/dbraw/zinc/13/21/57/247132157.db2.gz ZISYBSBPOQFRCY-UHFFFAOYSA-N 2 2 358.486 0.659 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000423736916 247132160 /nfs/dbraw/zinc/13/21/60/247132160.db2.gz ZISYBSBPOQFRCY-UHFFFAOYSA-N 2 2 358.486 0.659 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[C@@H]1C[NH3+] ZINC000423746156 247136387 /nfs/dbraw/zinc/13/63/87/247136387.db2.gz XRSGROUWRFXLHD-OWCLPIDISA-N 2 2 361.490 0.787 20 0 FCADLP O=C(C1C[NH2+]C1)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000424287453 247195624 /nfs/dbraw/zinc/19/56/24/247195624.db2.gz RIUBMUOSADNVLY-GOSISDBHSA-N 2 2 356.470 0.541 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000424299648 247196353 /nfs/dbraw/zinc/19/63/53/247196353.db2.gz FHRLWXGNJJBEBV-APHBMKBZSA-N 2 2 350.438 0.979 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000424338179 247197484 /nfs/dbraw/zinc/19/74/84/247197484.db2.gz UAJYIQBDNRKQPO-APHBMKBZSA-N 2 2 368.503 0.241 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC000424991540 247283335 /nfs/dbraw/zinc/28/33/35/247283335.db2.gz OMDYUDNUGBPRSU-HNNXBMFYSA-N 2 2 351.451 0.026 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC000424991540 247283340 /nfs/dbraw/zinc/28/33/40/247283340.db2.gz OMDYUDNUGBPRSU-HNNXBMFYSA-N 2 2 351.451 0.026 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000424554801 247261894 /nfs/dbraw/zinc/26/18/94/247261894.db2.gz SOCMOJCDELRCCG-OLZOCXBDSA-N 2 2 369.416 0.546 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000425382133 247328933 /nfs/dbraw/zinc/32/89/33/247328933.db2.gz GMGSNQNAVBDPFS-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000425382133 247328935 /nfs/dbraw/zinc/32/89/35/247328935.db2.gz GMGSNQNAVBDPFS-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000425451988 247342791 /nfs/dbraw/zinc/34/27/91/247342791.db2.gz MYKOORLFTDKOHP-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000425471211 247344419 /nfs/dbraw/zinc/34/44/19/247344419.db2.gz HQCCAAAGHXVIPC-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000425471211 247344421 /nfs/dbraw/zinc/34/44/21/247344421.db2.gz HQCCAAAGHXVIPC-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000435604519 248004007 /nfs/dbraw/zinc/00/40/07/248004007.db2.gz AHUQFVYPISBINQ-ROUUACIJSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000435604519 248004010 /nfs/dbraw/zinc/00/40/10/248004010.db2.gz AHUQFVYPISBINQ-ROUUACIJSA-N 2 2 370.538 0.833 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435610922 248003007 /nfs/dbraw/zinc/00/30/07/248003007.db2.gz NZAYMWQNWTWGBA-LBPRGKRZSA-N 2 2 370.475 0.355 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435610922 248003011 /nfs/dbraw/zinc/00/30/11/248003011.db2.gz NZAYMWQNWTWGBA-LBPRGKRZSA-N 2 2 370.475 0.355 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000436049556 248029414 /nfs/dbraw/zinc/02/94/14/248029414.db2.gz HHBHELABCCWTKY-CQSZACIVSA-N 2 2 362.430 0.673 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000436049556 248029416 /nfs/dbraw/zinc/02/94/16/248029416.db2.gz HHBHELABCCWTKY-CQSZACIVSA-N 2 2 362.430 0.673 20 0 FCADLP O=S(=O)(CC[NH2+]CC[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000438077081 248074907 /nfs/dbraw/zinc/07/49/07/248074907.db2.gz GKEJSXRFMZMFMT-INIZCTEOSA-N 2 2 368.503 0.550 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000438887458 248099781 /nfs/dbraw/zinc/09/97/81/248099781.db2.gz QARZWYHYOXYXPH-OAHLLOKOSA-N 2 2 359.430 0.115 20 0 FCADLP O=C(C[N@@H+](CCO)C1CCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000439286871 248118334 /nfs/dbraw/zinc/11/83/34/248118334.db2.gz UJMDUBQUUNTANX-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP O=C(C[N@H+](CCO)C1CCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000439286871 248118337 /nfs/dbraw/zinc/11/83/37/248118337.db2.gz UJMDUBQUUNTANX-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1C ZINC000440982611 248230036 /nfs/dbraw/zinc/23/00/36/248230036.db2.gz ISPWZUGPPYONBR-UHFFFAOYSA-N 2 2 351.499 0.311 20 0 FCADLP C[C@H]1CCNC(=O)[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000441180164 248240782 /nfs/dbraw/zinc/24/07/82/248240782.db2.gz MGMUEZKFNYUZBN-XJKSGUPXSA-N 2 2 351.495 0.369 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253161 248244898 /nfs/dbraw/zinc/24/48/98/248244898.db2.gz AKXJDFIVTYXRNM-FGTMMUONSA-N 3 2 352.523 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253161 248244900 /nfs/dbraw/zinc/24/49/00/248244900.db2.gz AKXJDFIVTYXRNM-FGTMMUONSA-N 3 2 352.523 0.770 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000442765060 248295636 /nfs/dbraw/zinc/29/56/36/248295636.db2.gz UPWGDAJMSHRMFL-AGIUHOORSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000442765060 248295639 /nfs/dbraw/zinc/29/56/39/248295639.db2.gz UPWGDAJMSHRMFL-AGIUHOORSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000442759885 248296150 /nfs/dbraw/zinc/29/61/50/248296150.db2.gz FJFLFVZKTAEUOQ-MELADBBJSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000442759885 248296152 /nfs/dbraw/zinc/29/61/52/248296152.db2.gz FJFLFVZKTAEUOQ-MELADBBJSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769616 248297010 /nfs/dbraw/zinc/29/70/10/248297010.db2.gz VUKMWNSBXSNBQV-STQMWFEESA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769616 248297012 /nfs/dbraw/zinc/29/70/12/248297012.db2.gz VUKMWNSBXSNBQV-STQMWFEESA-N 2 2 354.476 0.545 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cn1 ZINC000446367031 248388100 /nfs/dbraw/zinc/38/81/00/248388100.db2.gz QDHDILUROZMQRQ-JTDSTZFVSA-N 2 2 361.490 0.597 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1CCO ZINC000453689981 249356198 /nfs/dbraw/zinc/35/61/98/249356198.db2.gz AGUDDYNWISICSR-KSSFIOAISA-N 2 2 374.485 0.699 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1CCO ZINC000453689981 249356208 /nfs/dbraw/zinc/35/62/08/249356208.db2.gz AGUDDYNWISICSR-KSSFIOAISA-N 2 2 374.485 0.699 20 0 FCADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCO3)ccc21 ZINC000453646734 249349418 /nfs/dbraw/zinc/34/94/18/249349418.db2.gz QZLFCVUCHKBRHC-RDJZCZTQSA-N 2 2 360.458 0.621 20 0 FCADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc21 ZINC000453646734 249349422 /nfs/dbraw/zinc/34/94/22/249349422.db2.gz QZLFCVUCHKBRHC-RDJZCZTQSA-N 2 2 360.458 0.621 20 0 FCADLP NS(=O)(=O)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271345562 211385463 /nfs/dbraw/zinc/38/54/63/211385463.db2.gz KFKYISKEWVODJX-QGZVFWFLSA-N 2 2 352.504 0.167 20 0 FCADLP NS(=O)(=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271345562 211385467 /nfs/dbraw/zinc/38/54/67/211385467.db2.gz KFKYISKEWVODJX-QGZVFWFLSA-N 2 2 352.504 0.167 20 0 FCADLP COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271191575 211353870 /nfs/dbraw/zinc/35/38/70/211353870.db2.gz LPQJLKFGFIWFOE-HNNXBMFYSA-N 2 2 365.503 0.709 20 0 FCADLP COC(=O)C[C@H]1CSCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271191575 211353872 /nfs/dbraw/zinc/35/38/72/211353872.db2.gz LPQJLKFGFIWFOE-HNNXBMFYSA-N 2 2 365.503 0.709 20 0 FCADLP O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CC[NH+](CCO)CC1 ZINC000270904806 211296591 /nfs/dbraw/zinc/29/65/91/211296591.db2.gz SYFWERYQJVXMPC-UHFFFAOYSA-N 2 2 361.486 0.641 20 0 FCADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000270707805 211251052 /nfs/dbraw/zinc/25/10/52/211251052.db2.gz KNVPGZIPLWXZIX-HKUYNNGSSA-N 2 2 373.497 0.960 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000469983478 250016678 /nfs/dbraw/zinc/01/66/78/250016678.db2.gz PTKHNJLTOLEISZ-DOTOQJQBSA-N 2 2 368.522 0.308 20 0 FCADLP COCCOc1cc2c(cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1)OCO2 ZINC000469997171 250017988 /nfs/dbraw/zinc/01/79/88/250017988.db2.gz WJMNNYFRQRHEAF-UHFFFAOYSA-N 2 2 365.430 0.304 20 0 FCADLP COCCOc1cc2c(cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)OCO2 ZINC000469997171 250017992 /nfs/dbraw/zinc/01/79/92/250017992.db2.gz WJMNNYFRQRHEAF-UHFFFAOYSA-N 2 2 365.430 0.304 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000469786564 250004218 /nfs/dbraw/zinc/00/42/18/250004218.db2.gz OMTXEXCULPOPPS-PMPSAXMXSA-N 2 2 356.511 0.306 20 0 FCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000469786564 250004220 /nfs/dbraw/zinc/00/42/20/250004220.db2.gz OMTXEXCULPOPPS-PMPSAXMXSA-N 2 2 356.511 0.306 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000471168269 250093905 /nfs/dbraw/zinc/09/39/05/250093905.db2.gz HCMNULYIDSTDLP-LLVKDONJSA-N 2 2 360.418 0.727 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000471168269 250093909 /nfs/dbraw/zinc/09/39/09/250093909.db2.gz HCMNULYIDSTDLP-LLVKDONJSA-N 2 2 360.418 0.727 20 0 FCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977204 250083802 /nfs/dbraw/zinc/08/38/02/250083802.db2.gz VQQDXDKIIKSXTN-INIZCTEOSA-N 2 2 374.551 0.048 20 0 FCADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977204 250083805 /nfs/dbraw/zinc/08/38/05/250083805.db2.gz VQQDXDKIIKSXTN-INIZCTEOSA-N 2 2 374.551 0.048 20 0 FCADLP CN(CCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977204 250083807 /nfs/dbraw/zinc/08/38/07/250083807.db2.gz VQQDXDKIIKSXTN-INIZCTEOSA-N 2 2 374.551 0.048 20 0 FCADLP CN(CCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977204 250083809 /nfs/dbraw/zinc/08/38/09/250083809.db2.gz VQQDXDKIIKSXTN-INIZCTEOSA-N 2 2 374.551 0.048 20 0 FCADLP CN(C(=O)C(C)(C)C(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000472093013 250129570 /nfs/dbraw/zinc/12/95/70/250129570.db2.gz IWGJTSYGONJXRP-UHFFFAOYSA-N 2 2 374.476 0.975 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472135448 250133567 /nfs/dbraw/zinc/13/35/67/250133567.db2.gz YZSJCTRXVBIZFR-ROUUACIJSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000472135448 250133571 /nfs/dbraw/zinc/13/35/71/250133571.db2.gz YZSJCTRXVBIZFR-ROUUACIJSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000472679017 250172442 /nfs/dbraw/zinc/17/24/42/250172442.db2.gz RYPGXOGHUOKQEL-MRXNPFEDSA-N 2 2 368.547 0.910 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000473118898 250202360 /nfs/dbraw/zinc/20/23/60/250202360.db2.gz LJMXKHWTSLTDPF-CYBMUJFWSA-N 2 2 351.451 0.274 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000473118898 250202362 /nfs/dbraw/zinc/20/23/62/250202362.db2.gz LJMXKHWTSLTDPF-CYBMUJFWSA-N 2 2 351.451 0.274 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000473961125 250260095 /nfs/dbraw/zinc/26/00/95/250260095.db2.gz ANLLVBAYPYXXGS-UHFFFAOYSA-N 2 2 356.511 0.632 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000473961125 250260099 /nfs/dbraw/zinc/26/00/99/250260099.db2.gz ANLLVBAYPYXXGS-UHFFFAOYSA-N 2 2 356.511 0.632 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260059 250327804 /nfs/dbraw/zinc/32/78/04/250327804.db2.gz QFTHMIAPDHTTTO-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260059 250327810 /nfs/dbraw/zinc/32/78/10/250327810.db2.gz QFTHMIAPDHTTTO-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000481260059 250327815 /nfs/dbraw/zinc/32/78/15/250327815.db2.gz QFTHMIAPDHTTTO-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000481260059 250327818 /nfs/dbraw/zinc/32/78/18/250327818.db2.gz QFTHMIAPDHTTTO-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000481048434 250311370 /nfs/dbraw/zinc/31/13/70/250311370.db2.gz COUIMLHNLCWFMH-UHFFFAOYSA-N 2 2 351.451 0.397 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000481776740 250359645 /nfs/dbraw/zinc/35/96/45/250359645.db2.gz OBTPDOMQZVGGKA-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000481776740 250359649 /nfs/dbraw/zinc/35/96/49/250359649.db2.gz OBTPDOMQZVGGKA-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000481870083 250368111 /nfs/dbraw/zinc/36/81/11/250368111.db2.gz SBSSTOULJFMCRK-ZSOGYDGISA-N 2 2 358.446 0.813 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000481878640 250371108 /nfs/dbraw/zinc/37/11/08/250371108.db2.gz HFSNUBZWXNCELL-LTIDMASMSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000481878640 250371112 /nfs/dbraw/zinc/37/11/12/250371112.db2.gz HFSNUBZWXNCELL-LTIDMASMSA-N 2 2 368.522 0.448 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000482004322 250374765 /nfs/dbraw/zinc/37/47/65/250374765.db2.gz VXMAGVYLZIBDBR-UHFFFAOYSA-N 2 2 360.506 0.835 20 0 FCADLP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000482540815 250393650 /nfs/dbraw/zinc/39/36/50/250393650.db2.gz YYFCQNOGJBPOKN-UHFFFAOYSA-N 3 2 367.582 0.400 20 0 FCADLP C[N@H+]1CCCN(CCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000482540815 250393657 /nfs/dbraw/zinc/39/36/57/250393657.db2.gz YYFCQNOGJBPOKN-UHFFFAOYSA-N 3 2 367.582 0.400 20 0 FCADLP C[N@@H+]1CCCN(CCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000482540815 250393663 /nfs/dbraw/zinc/39/36/63/250393663.db2.gz YYFCQNOGJBPOKN-UHFFFAOYSA-N 3 2 367.582 0.400 20 0 FCADLP C[N@H+]1CCCN(CCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000482540815 250393667 /nfs/dbraw/zinc/39/36/67/250393667.db2.gz YYFCQNOGJBPOKN-UHFFFAOYSA-N 3 2 367.582 0.400 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)nn1 ZINC000269626249 211026043 /nfs/dbraw/zinc/02/60/43/211026043.db2.gz JPHKVMPJBGOXRY-GFCCVEGCSA-N 2 2 352.464 0.103 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+](C)C1 ZINC000411762709 532984353 /nfs/dbraw/zinc/98/43/53/532984353.db2.gz XPIIGMRBXVATQG-CYBMUJFWSA-N 2 2 373.413 0.144 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+](C)C1 ZINC000411762709 532984358 /nfs/dbraw/zinc/98/43/58/532984358.db2.gz XPIIGMRBXVATQG-CYBMUJFWSA-N 2 2 373.413 0.144 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC[N@H+](C)C1 ZINC000413152641 532994483 /nfs/dbraw/zinc/99/44/83/532994483.db2.gz DDKOWMHKXZYTJN-CQSZACIVSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC[N@@H+](C)C1 ZINC000413152641 532994487 /nfs/dbraw/zinc/99/44/87/532994487.db2.gz DDKOWMHKXZYTJN-CQSZACIVSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+](C)C1 ZINC000413397470 532997064 /nfs/dbraw/zinc/99/70/64/532997064.db2.gz FHVHEJILKQGLKR-CABCVRRESA-N 2 2 361.446 0.407 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+](C)C1 ZINC000413397470 532997069 /nfs/dbraw/zinc/99/70/69/532997069.db2.gz FHVHEJILKQGLKR-CABCVRRESA-N 2 2 361.446 0.407 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+](C)C1 ZINC000413397472 532998048 /nfs/dbraw/zinc/99/80/48/532998048.db2.gz FHVHEJILKQGLKR-HUUCEWRRSA-N 2 2 361.446 0.407 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+](C)C1 ZINC000413397472 532998051 /nfs/dbraw/zinc/99/80/51/532998051.db2.gz FHVHEJILKQGLKR-HUUCEWRRSA-N 2 2 361.446 0.407 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074186814 208051433 /nfs/dbraw/zinc/05/14/33/208051433.db2.gz OUEXMRXRGXPFCW-OAHLLOKOSA-N 2 2 357.458 0.871 20 0 FCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066223068 208017463 /nfs/dbraw/zinc/01/74/63/208017463.db2.gz JCKMFYMWVDHBEY-HNNXBMFYSA-N 2 2 354.414 0.903 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000068414967 208026918 /nfs/dbraw/zinc/02/69/18/208026918.db2.gz SLGWUUHFKZHOQJ-MJGOQNOKSA-N 2 2 360.502 0.812 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000081284224 208100794 /nfs/dbraw/zinc/10/07/94/208100794.db2.gz UFRYTUPTUXVRDO-GOSISDBHSA-N 2 2 374.485 0.662 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000081284224 208100800 /nfs/dbraw/zinc/10/08/00/208100800.db2.gz UFRYTUPTUXVRDO-GOSISDBHSA-N 2 2 374.485 0.662 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075836419 208062551 /nfs/dbraw/zinc/06/25/51/208062551.db2.gz GDIGEIQQOMAALT-OAHLLOKOSA-N 2 2 355.508 0.506 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075836419 208062556 /nfs/dbraw/zinc/06/25/56/208062556.db2.gz GDIGEIQQOMAALT-OAHLLOKOSA-N 2 2 355.508 0.506 20 0 FCADLP C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000078647882 208084319 /nfs/dbraw/zinc/08/43/19/208084319.db2.gz UBBBTMCPTRJGIK-AZUAARDMSA-N 2 2 373.545 0.727 20 0 FCADLP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000081553827 208103041 /nfs/dbraw/zinc/10/30/41/208103041.db2.gz LWIPRQOSVATVCD-AWEZNQCLSA-N 2 2 352.504 0.706 20 0 FCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000081553827 208103047 /nfs/dbraw/zinc/10/30/47/208103047.db2.gz LWIPRQOSVATVCD-AWEZNQCLSA-N 2 2 352.504 0.706 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000079763416 208092334 /nfs/dbraw/zinc/09/23/34/208092334.db2.gz AFMCLCUYPSQQOE-HOCLYGCPSA-N 2 2 368.503 0.944 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003561 208128572 /nfs/dbraw/zinc/12/85/72/208128572.db2.gz ZVLCTFFOFJNSND-RBSFLKMASA-N 2 2 368.503 0.366 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003561 208128576 /nfs/dbraw/zinc/12/85/76/208128576.db2.gz ZVLCTFFOFJNSND-RBSFLKMASA-N 2 2 368.503 0.366 20 0 FCADLP Cc1nn(C)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000089235977 208120446 /nfs/dbraw/zinc/12/04/46/208120446.db2.gz SEYQIJJYCBFJMJ-NSHDSACASA-N 2 2 358.284 0.778 20 0 FCADLP Cc1nn(C)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000089235977 208120450 /nfs/dbraw/zinc/12/04/50/208120450.db2.gz SEYQIJJYCBFJMJ-NSHDSACASA-N 2 2 358.284 0.778 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000093192756 208153007 /nfs/dbraw/zinc/15/30/07/208153007.db2.gz QAVUKRFJFYPKFP-INIZCTEOSA-N 2 2 363.437 0.796 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000093192756 208153011 /nfs/dbraw/zinc/15/30/11/208153011.db2.gz QAVUKRFJFYPKFP-INIZCTEOSA-N 2 2 363.437 0.796 20 0 FCADLP CN(C(=O)c1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041534 208206506 /nfs/dbraw/zinc/20/65/06/208206506.db2.gz SGQGDDZXTYCEON-UHFFFAOYSA-N 2 2 359.474 0.392 20 0 FCADLP COCCOCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000103312138 208176599 /nfs/dbraw/zinc/17/65/99/208176599.db2.gz BNBZDCAWHPGIRR-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000105064794 208191076 /nfs/dbraw/zinc/19/10/76/208191076.db2.gz ZGHYLYPNDYRKSC-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000105192055 208192548 /nfs/dbraw/zinc/19/25/48/208192548.db2.gz AIQJLNZOWBSQTE-MRXNPFEDSA-N 2 2 374.489 0.677 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000105192055 208192555 /nfs/dbraw/zinc/19/25/55/208192555.db2.gz AIQJLNZOWBSQTE-MRXNPFEDSA-N 2 2 374.489 0.677 20 0 FCADLP Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000106041464 208205336 /nfs/dbraw/zinc/20/53/36/208205336.db2.gz MCFVSBKBHMRDKI-UHFFFAOYSA-N 2 2 362.474 0.898 20 0 FCADLP Cc1cc(NC(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n(C)n1 ZINC000119646837 208363312 /nfs/dbraw/zinc/36/33/12/208363312.db2.gz LKCGNOZKVROFPD-SJPCQFCGSA-N 2 2 360.506 0.910 20 0 FCADLP Cc1cc(NC(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n(C)n1 ZINC000119646837 208363319 /nfs/dbraw/zinc/36/33/19/208363319.db2.gz LKCGNOZKVROFPD-SJPCQFCGSA-N 2 2 360.506 0.910 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843755 208351634 /nfs/dbraw/zinc/35/16/34/208351634.db2.gz ZRMZAZDGKKCFPW-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843755 208351636 /nfs/dbraw/zinc/35/16/36/208351636.db2.gz ZRMZAZDGKKCFPW-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP C[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843755 208351638 /nfs/dbraw/zinc/35/16/38/208351638.db2.gz ZRMZAZDGKKCFPW-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP C[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843755 208351641 /nfs/dbraw/zinc/35/16/41/208351641.db2.gz ZRMZAZDGKKCFPW-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655181 208387505 /nfs/dbraw/zinc/38/75/05/208387505.db2.gz JKMLIPWPCQDMGT-INIZCTEOSA-N 2 2 360.506 0.958 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655181 208387510 /nfs/dbraw/zinc/38/75/10/208387510.db2.gz JKMLIPWPCQDMGT-INIZCTEOSA-N 2 2 360.506 0.958 20 0 FCADLP CN(C)C(=O)CC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000180325300 209094582 /nfs/dbraw/zinc/09/45/82/209094582.db2.gz IHRRQASRDFNIMG-UHFFFAOYSA-N 2 2 360.506 0.919 20 0 FCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000176911813 209012425 /nfs/dbraw/zinc/01/24/25/209012425.db2.gz YDGPJDJYAXQYRM-KRWDZBQOSA-N 2 2 363.506 0.677 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000177144399 209018227 /nfs/dbraw/zinc/01/82/27/209018227.db2.gz JDJXNORHNFIFFT-UHFFFAOYSA-N 2 2 369.469 0.988 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000177136899 209018611 /nfs/dbraw/zinc/01/86/11/209018611.db2.gz RPYZNCPNGIXDKP-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)COc2ccccc2)CC1 ZINC000177136289 209018629 /nfs/dbraw/zinc/01/86/29/209018629.db2.gz ZIKACZXUALHTPD-UHFFFAOYSA-N 2 2 362.474 0.324 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CN1CC[NH+]1CCOCC1 ZINC000177351667 209022287 /nfs/dbraw/zinc/02/22/87/209022287.db2.gz LUZCPKOAKIEXKK-KRWDZBQOSA-N 2 2 370.453 0.963 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178047265 209041197 /nfs/dbraw/zinc/04/11/97/209041197.db2.gz KYXCQJPKKYRFIE-INIZCTEOSA-N 2 2 364.465 0.473 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178879567 209063709 /nfs/dbraw/zinc/06/37/09/209063709.db2.gz SBRXPVCCVSOWHO-KRWDZBQOSA-N 2 2 372.473 0.928 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178879567 209063712 /nfs/dbraw/zinc/06/37/12/209063712.db2.gz SBRXPVCCVSOWHO-KRWDZBQOSA-N 2 2 372.473 0.928 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)[NH+]1CCOCC1 ZINC000178870080 209063897 /nfs/dbraw/zinc/06/38/97/209063897.db2.gz TZZRSDYCCGZRBD-MRXNPFEDSA-N 2 2 364.494 0.217 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1)[NH+]1CCOCC1 ZINC000178870080 209063901 /nfs/dbraw/zinc/06/39/01/209063901.db2.gz TZZRSDYCCGZRBD-MRXNPFEDSA-N 2 2 364.494 0.217 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413212492 533479235 /nfs/dbraw/zinc/47/92/35/533479235.db2.gz YUHAWVXCMANZMT-ZFWWWQNUSA-N 2 2 351.451 0.574 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413212492 533479244 /nfs/dbraw/zinc/47/92/44/533479244.db2.gz YUHAWVXCMANZMT-ZFWWWQNUSA-N 2 2 351.451 0.574 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1cccc2[nH+]ccn21)NC[C@H]1CCCCO1 ZINC000179425086 209080365 /nfs/dbraw/zinc/08/03/65/209080365.db2.gz FRPWVEHQGCYBJT-OAHLLOKOSA-N 2 2 352.460 0.912 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000165028447 229204810 /nfs/dbraw/zinc/20/48/10/229204810.db2.gz SFLLEXNANJXVBM-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000410469815 230091949 /nfs/dbraw/zinc/09/19/49/230091949.db2.gz OHDXCTYPJUELKW-XHSDSOJGSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000410469815 230091953 /nfs/dbraw/zinc/09/19/53/230091953.db2.gz OHDXCTYPJUELKW-XHSDSOJGSA-N 2 2 354.495 0.107 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410498638 230106095 /nfs/dbraw/zinc/10/60/95/230106095.db2.gz PLZZZTWUIODWLG-UHFFFAOYSA-N 2 2 365.478 0.214 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000410555830 230135086 /nfs/dbraw/zinc/13/50/86/230135086.db2.gz IHWOKTRJFOLWJP-CALCHBBNSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000410555830 230135091 /nfs/dbraw/zinc/13/50/91/230135091.db2.gz IHWOKTRJFOLWJP-CALCHBBNSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410892180 230293607 /nfs/dbraw/zinc/29/36/07/230293607.db2.gz VLZBLOSTINQFGE-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1CSCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000410951942 230322160 /nfs/dbraw/zinc/32/21/60/230322160.db2.gz AWOBAOWKDHLAOR-HNNXBMFYSA-N 2 2 370.563 0.682 20 0 FCADLP C[C@@H]1CSCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000410951942 230322163 /nfs/dbraw/zinc/32/21/63/230322163.db2.gz AWOBAOWKDHLAOR-HNNXBMFYSA-N 2 2 370.563 0.682 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000933849494 674276730 /nfs/dbraw/zinc/27/67/30/674276730.db2.gz GZQOANDNXOTKAJ-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000933849494 674276731 /nfs/dbraw/zinc/27/67/31/674276731.db2.gz GZQOANDNXOTKAJ-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000363673640 488871594 /nfs/dbraw/zinc/87/15/94/488871594.db2.gz RTSRQTKXMSPBIO-KURKYZTESA-N 2 2 366.550 0.970 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363858925 488893253 /nfs/dbraw/zinc/89/32/53/488893253.db2.gz MWKYCEUFNRSLHN-KRWDZBQOSA-N 2 2 372.473 0.540 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363858925 488893257 /nfs/dbraw/zinc/89/32/57/488893257.db2.gz MWKYCEUFNRSLHN-KRWDZBQOSA-N 2 2 372.473 0.540 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C[C@H]21 ZINC000562803367 491189884 /nfs/dbraw/zinc/18/98/84/491189884.db2.gz UKOKVXCTCPKVPI-KONPQCLYSA-N 2 2 368.547 0.963 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000562796823 491189908 /nfs/dbraw/zinc/18/99/08/491189908.db2.gz ILPOBMUPMBDMMP-HNNXBMFYSA-N 2 2 354.495 0.494 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000562796823 491189911 /nfs/dbraw/zinc/18/99/11/491189911.db2.gz ILPOBMUPMBDMMP-HNNXBMFYSA-N 2 2 354.495 0.494 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)N1CCCC1 ZINC000363913134 488900024 /nfs/dbraw/zinc/90/00/24/488900024.db2.gz FZTKCFJUIKOVOL-DLBZAZTESA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)N1CCCC1 ZINC000363913134 488900027 /nfs/dbraw/zinc/90/00/27/488900027.db2.gz FZTKCFJUIKOVOL-DLBZAZTESA-N 2 2 363.506 0.563 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)ccc1=O ZINC000287710731 488897331 /nfs/dbraw/zinc/89/73/31/488897331.db2.gz NDWFVMQMLZKWLE-QGZVFWFLSA-N 2 2 362.474 0.849 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)ccc1=O ZINC000287710731 488897333 /nfs/dbraw/zinc/89/73/33/488897333.db2.gz NDWFVMQMLZKWLE-QGZVFWFLSA-N 2 2 362.474 0.849 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cn1 ZINC000319209464 488898427 /nfs/dbraw/zinc/89/84/27/488898427.db2.gz RGEIHFOLNGFHJO-CYBMUJFWSA-N 2 2 368.279 0.762 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cn1 ZINC000319209464 488898430 /nfs/dbraw/zinc/89/84/30/488898430.db2.gz RGEIHFOLNGFHJO-CYBMUJFWSA-N 2 2 368.279 0.762 20 0 FCADLP COC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000278997047 488909852 /nfs/dbraw/zinc/90/98/52/488909852.db2.gz CFHCJTLAZLNEOV-DLBZAZTESA-N 2 2 362.474 0.904 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364139096 488926735 /nfs/dbraw/zinc/92/67/35/488926735.db2.gz APQGHILCVXAGEK-HNNXBMFYSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364139096 488926738 /nfs/dbraw/zinc/92/67/38/488926738.db2.gz APQGHILCVXAGEK-HNNXBMFYSA-N 2 2 363.437 0.786 20 0 FCADLP Cc1ccc2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)n2c1 ZINC000364204951 488935369 /nfs/dbraw/zinc/93/53/69/488935369.db2.gz DAUFFIOXSBBICM-OAHLLOKOSA-N 2 2 369.469 0.901 20 0 FCADLP Cc1ccc2ncc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)n2c1 ZINC000364204951 488935371 /nfs/dbraw/zinc/93/53/71/488935371.db2.gz DAUFFIOXSBBICM-OAHLLOKOSA-N 2 2 369.469 0.901 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C2)CC1 ZINC000364208071 488935436 /nfs/dbraw/zinc/93/54/36/488935436.db2.gz QJBSHRWJYXXNBG-NSHDSACASA-N 2 2 366.384 0.560 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)OCC(F)(F)F)C2)CC1 ZINC000364208071 488935437 /nfs/dbraw/zinc/93/54/37/488935437.db2.gz QJBSHRWJYXXNBG-NSHDSACASA-N 2 2 366.384 0.560 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000279407260 488939973 /nfs/dbraw/zinc/93/99/73/488939973.db2.gz IDBYJJMSLCEKTK-OAHLLOKOSA-N 2 2 362.474 0.866 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208105 488936108 /nfs/dbraw/zinc/93/61/08/488936108.db2.gz QUVGEJIMWOSCAD-MAUKXSAKSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208105 488936109 /nfs/dbraw/zinc/93/61/09/488936109.db2.gz QUVGEJIMWOSCAD-MAUKXSAKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364218091 488937539 /nfs/dbraw/zinc/93/75/39/488937539.db2.gz WETCJTZKOADVEO-DLBZAZTESA-N 2 2 350.507 0.921 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902907 488948458 /nfs/dbraw/zinc/94/84/58/488948458.db2.gz HEGUFZGHWIKFSF-ROUUACIJSA-N 2 2 373.563 0.538 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902907 488948460 /nfs/dbraw/zinc/94/84/60/488948460.db2.gz HEGUFZGHWIKFSF-ROUUACIJSA-N 2 2 373.563 0.538 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C ZINC000328934356 488952837 /nfs/dbraw/zinc/95/28/37/488952837.db2.gz CELQQZYUPMLGRL-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C ZINC000328934356 488952838 /nfs/dbraw/zinc/95/28/38/488952838.db2.gz CELQQZYUPMLGRL-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000328980677 488957398 /nfs/dbraw/zinc/95/73/98/488957398.db2.gz RLVHKTAOZCKBBC-DLBZAZTESA-N 2 2 361.490 0.564 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000328980677 488957401 /nfs/dbraw/zinc/95/74/01/488957401.db2.gz RLVHKTAOZCKBBC-DLBZAZTESA-N 2 2 361.490 0.564 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000028423337 487710149 /nfs/dbraw/zinc/71/01/49/487710149.db2.gz FGLRADMXEBUINL-UHFFFAOYSA-N 2 2 374.489 0.691 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000045845203 487955846 /nfs/dbraw/zinc/95/58/46/487955846.db2.gz VFRLNNAQZANXNM-UHFFFAOYSA-N 2 2 363.462 0.392 20 0 FCADLP CC(C)NC(=O)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758857 488143146 /nfs/dbraw/zinc/14/31/46/488143146.db2.gz MVPNHCMDHJLDFO-UHFFFAOYSA-N 2 2 353.511 0.759 20 0 FCADLP CCOc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000051760450 488145287 /nfs/dbraw/zinc/14/52/87/488145287.db2.gz QAGDESNYPVSCEH-INIZCTEOSA-N 2 2 365.474 0.531 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)COCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC[NH+]1C ZINC000329133755 488972565 /nfs/dbraw/zinc/97/25/65/488972565.db2.gz ZDOYAZNTMZQRHW-FZKCQIBNSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)COCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC[NH+]1C ZINC000329133755 488972570 /nfs/dbraw/zinc/97/25/70/488972570.db2.gz ZDOYAZNTMZQRHW-FZKCQIBNSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)COCC(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@H+]1C ZINC000329133755 488972577 /nfs/dbraw/zinc/97/25/77/488972577.db2.gz ZDOYAZNTMZQRHW-FZKCQIBNSA-N 2 2 354.495 0.105 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000055015797 488234186 /nfs/dbraw/zinc/23/41/86/488234186.db2.gz QHSGUDPJUNWULG-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000055015797 488234189 /nfs/dbraw/zinc/23/41/89/488234189.db2.gz QHSGUDPJUNWULG-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000063759159 488308064 /nfs/dbraw/zinc/30/80/64/488308064.db2.gz IYAAGMWKNSTTDK-SFHVURJKSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000063759159 488308067 /nfs/dbraw/zinc/30/80/67/488308067.db2.gz IYAAGMWKNSTTDK-SFHVURJKSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000063759159 488308070 /nfs/dbraw/zinc/30/80/70/488308070.db2.gz IYAAGMWKNSTTDK-SFHVURJKSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000063759159 488308072 /nfs/dbraw/zinc/30/80/72/488308072.db2.gz IYAAGMWKNSTTDK-SFHVURJKSA-N 2 2 358.486 0.918 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066914057 488340151 /nfs/dbraw/zinc/34/01/51/488340151.db2.gz WRLVATVYLRALSG-NUJGCVRESA-N 2 2 368.522 0.353 20 0 FCADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000072694660 488382476 /nfs/dbraw/zinc/38/24/76/488382476.db2.gz QVVODBJVBQXCQK-UHFFFAOYSA-N 2 2 351.499 0.843 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802062 488382804 /nfs/dbraw/zinc/38/28/04/488382804.db2.gz BAXDLCWQNOJGPF-KRWDZBQOSA-N 2 2 360.458 0.085 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802062 488382805 /nfs/dbraw/zinc/38/28/05/488382805.db2.gz BAXDLCWQNOJGPF-KRWDZBQOSA-N 2 2 360.458 0.085 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1=O ZINC000072846692 488383168 /nfs/dbraw/zinc/38/31/68/488383168.db2.gz GRLCNPIPJWTJRP-SFHVURJKSA-N 2 2 369.469 0.958 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000073430618 488384616 /nfs/dbraw/zinc/38/46/16/488384616.db2.gz BQZYGKNNBOGWSG-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073589515 488384907 /nfs/dbraw/zinc/38/49/07/488384907.db2.gz FJDFKVRDFXDZKI-ZWKOTPCHSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000073589455 488385092 /nfs/dbraw/zinc/38/50/92/488385092.db2.gz KHMFCWMHJWPMEK-ZWKOTPCHSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000073589455 488385093 /nfs/dbraw/zinc/38/50/93/488385093.db2.gz KHMFCWMHJWPMEK-ZWKOTPCHSA-N 2 2 369.554 0.526 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000073603952 488385281 /nfs/dbraw/zinc/38/52/81/488385281.db2.gz KOLFVRVYNXAMSG-JKSUJKDBSA-N 2 2 374.551 0.479 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000073603952 488385282 /nfs/dbraw/zinc/38/52/82/488385282.db2.gz KOLFVRVYNXAMSG-JKSUJKDBSA-N 2 2 374.551 0.479 20 0 FCADLP CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000073647088 488385444 /nfs/dbraw/zinc/38/54/44/488385444.db2.gz PWHBWLDNGSLPGT-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000073647088 488385445 /nfs/dbraw/zinc/38/54/45/488385445.db2.gz PWHBWLDNGSLPGT-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000073802743 488386585 /nfs/dbraw/zinc/38/65/85/488386585.db2.gz FAQRTIBVPKXUDD-UHFFFAOYSA-N 2 2 368.570 0.338 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000073802743 488386586 /nfs/dbraw/zinc/38/65/86/488386586.db2.gz FAQRTIBVPKXUDD-UHFFFAOYSA-N 2 2 368.570 0.338 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000562831843 491194435 /nfs/dbraw/zinc/19/44/35/491194435.db2.gz ZRKFTGXGXDYRGJ-DAXSKMNVSA-N 2 2 370.497 0.960 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000074085966 488387508 /nfs/dbraw/zinc/38/75/08/488387508.db2.gz VGHOHQXJRWJZKZ-OAHLLOKOSA-N 2 2 365.522 0.713 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000562831629 491194623 /nfs/dbraw/zinc/19/46/23/491194623.db2.gz BXHAYYSGWYNNPI-UHFFFAOYSA-N 2 2 350.488 0.651 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1CCCCCC1 ZINC000074224212 488389004 /nfs/dbraw/zinc/38/90/04/488389004.db2.gz DCLSSMBPYAMRCO-KRWDZBQOSA-N 2 2 360.506 0.979 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C(=O)N(C)C ZINC000182979484 488391134 /nfs/dbraw/zinc/39/11/34/488391134.db2.gz PYBLHOAYWSZNJE-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000183036096 488391225 /nfs/dbraw/zinc/39/12/25/488391225.db2.gz LHHJWGDAZHTKTP-QGZVFWFLSA-N 2 2 355.527 0.234 20 0 FCADLP C[C@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000183036096 488391228 /nfs/dbraw/zinc/39/12/28/488391228.db2.gz LHHJWGDAZHTKTP-QGZVFWFLSA-N 2 2 355.527 0.234 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000074657196 488393604 /nfs/dbraw/zinc/39/36/04/488393604.db2.gz KZVCWCDYXFINLZ-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000074657196 488393606 /nfs/dbraw/zinc/39/36/06/488393606.db2.gz KZVCWCDYXFINLZ-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP COc1ccc([C@H](CNC(=O)C[NH2+]C2(C(N)=O)CC2)[NH+]2CCCCC2)cc1 ZINC000183817191 488393900 /nfs/dbraw/zinc/39/39/00/488393900.db2.gz SAVOXDYFBRACMS-KRWDZBQOSA-N 2 2 374.485 0.946 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000184824920 488398432 /nfs/dbraw/zinc/39/84/32/488398432.db2.gz ABSVHKHDKIQHSP-CABCVRRESA-N 2 2 357.462 0.866 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000554335319 491195362 /nfs/dbraw/zinc/19/53/62/491195362.db2.gz TWFWZFLTLUBTCZ-HOTGVXAUSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000554335319 491195367 /nfs/dbraw/zinc/19/53/67/491195367.db2.gz TWFWZFLTLUBTCZ-HOTGVXAUSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819497 491195475 /nfs/dbraw/zinc/19/54/75/491195475.db2.gz DTYXBCBTHWTXAD-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819497 491195477 /nfs/dbraw/zinc/19/54/77/491195477.db2.gz DTYXBCBTHWTXAD-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000185355785 488401218 /nfs/dbraw/zinc/40/12/18/488401218.db2.gz YHSNIMZADIVFHC-IAGOWNOFSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000185355785 488401219 /nfs/dbraw/zinc/40/12/19/488401219.db2.gz YHSNIMZADIVFHC-IAGOWNOFSA-N 2 2 369.554 0.811 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000185510355 488401785 /nfs/dbraw/zinc/40/17/85/488401785.db2.gz UODCYWNJXQQSMT-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000185510355 488401789 /nfs/dbraw/zinc/40/17/89/488401789.db2.gz UODCYWNJXQQSMT-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000185510313 488401822 /nfs/dbraw/zinc/40/18/22/488401822.db2.gz UODCYWNJXQQSMT-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000185510313 488401824 /nfs/dbraw/zinc/40/18/24/488401824.db2.gz UODCYWNJXQQSMT-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)ccc2n1C ZINC000076186739 488402143 /nfs/dbraw/zinc/40/21/43/488402143.db2.gz CEFVYMXSVBMOIY-UHFFFAOYSA-N 2 2 359.430 0.659 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000185815507 488402908 /nfs/dbraw/zinc/40/29/08/488402908.db2.gz REDGZZPOCQSILC-ZWKOTPCHSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000185815507 488402911 /nfs/dbraw/zinc/40/29/11/488402911.db2.gz REDGZZPOCQSILC-ZWKOTPCHSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000185825651 488403447 /nfs/dbraw/zinc/40/34/47/488403447.db2.gz USTFPZQAGSRDNY-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000185825651 488403449 /nfs/dbraw/zinc/40/34/49/488403449.db2.gz USTFPZQAGSRDNY-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000185825651 488403451 /nfs/dbraw/zinc/40/34/51/488403451.db2.gz USTFPZQAGSRDNY-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000185825651 488403453 /nfs/dbraw/zinc/40/34/53/488403453.db2.gz USTFPZQAGSRDNY-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000187022291 488408896 /nfs/dbraw/zinc/40/88/96/488408896.db2.gz MJZBKCPUNGYTGK-UHFFFAOYSA-N 2 2 358.442 0.990 20 0 FCADLP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000569833896 491196731 /nfs/dbraw/zinc/19/67/31/491196731.db2.gz HFERHBKLVJJCTO-CVEARBPZSA-N 2 2 352.504 0.592 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC000077817452 488418118 /nfs/dbraw/zinc/41/81/18/488418118.db2.gz QSMXGANOVIOHEC-KRWDZBQOSA-N 2 2 373.501 0.440 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000077817452 488418119 /nfs/dbraw/zinc/41/81/19/488418119.db2.gz QSMXGANOVIOHEC-KRWDZBQOSA-N 2 2 373.501 0.440 20 0 FCADLP CCN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000191135651 488418993 /nfs/dbraw/zinc/41/89/93/488418993.db2.gz DDJNVSKSQZBSNI-KRWDZBQOSA-N 2 2 361.490 0.560 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000079124884 488427516 /nfs/dbraw/zinc/42/75/16/488427516.db2.gz YDLHYLZWKLAEKX-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000079124884 488427519 /nfs/dbraw/zinc/42/75/19/488427519.db2.gz YDLHYLZWKLAEKX-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000193618998 488428576 /nfs/dbraw/zinc/42/85/76/488428576.db2.gz CFTKKWWKQOJWIS-WBVHZDCISA-N 2 2 366.506 0.252 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1)N1CCCC1 ZINC000079551662 488430648 /nfs/dbraw/zinc/43/06/48/488430648.db2.gz UKRCKXYBVXFLBU-SJORKVTESA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1)N1CCCC1 ZINC000079551662 488430649 /nfs/dbraw/zinc/43/06/49/488430649.db2.gz UKRCKXYBVXFLBU-SJORKVTESA-N 2 2 363.506 0.563 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000080706058 488436852 /nfs/dbraw/zinc/43/68/52/488436852.db2.gz MUMKADUVVXCTQW-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000080706058 488436854 /nfs/dbraw/zinc/43/68/54/488436854.db2.gz MUMKADUVVXCTQW-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000080893738 488437861 /nfs/dbraw/zinc/43/78/61/488437861.db2.gz QEQXOSOJXDWSMK-OXJNMPFZSA-N 2 2 361.486 0.633 20 0 FCADLP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000080893738 488437864 /nfs/dbraw/zinc/43/78/64/488437864.db2.gz QEQXOSOJXDWSMK-OXJNMPFZSA-N 2 2 361.486 0.633 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000083712519 488448360 /nfs/dbraw/zinc/44/83/60/488448360.db2.gz RWNOOPJPOZANOX-SJORKVTESA-N 2 2 356.511 0.443 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000083715083 488448619 /nfs/dbraw/zinc/44/86/19/488448619.db2.gz XPPPUMUZCXBYNB-DLBZAZTESA-N 2 2 356.511 0.441 20 0 FCADLP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCN(C)CC1 ZINC000083735084 488448660 /nfs/dbraw/zinc/44/86/60/488448660.db2.gz ZHJBUGSAGYCOON-CQSZACIVSA-N 2 2 351.499 0.169 20 0 FCADLP C[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)CN1CC[NH+](C)CC1 ZINC000083735084 488448662 /nfs/dbraw/zinc/44/86/62/488448662.db2.gz ZHJBUGSAGYCOON-CQSZACIVSA-N 2 2 351.499 0.169 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268861974 488453602 /nfs/dbraw/zinc/45/36/02/488453602.db2.gz DVYLZQXNZIPRMR-BBRMVZONSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268861974 488453603 /nfs/dbraw/zinc/45/36/03/488453603.db2.gz DVYLZQXNZIPRMR-BBRMVZONSA-N 2 2 368.503 0.585 20 0 FCADLP CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237000820 488453762 /nfs/dbraw/zinc/45/37/62/488453762.db2.gz BDGGLTAQAJTVQR-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237000820 488453765 /nfs/dbraw/zinc/45/37/65/488453765.db2.gz BDGGLTAQAJTVQR-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC[NH+](CC)CCOc1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000236882016 488453840 /nfs/dbraw/zinc/45/38/40/488453840.db2.gz ZXLCVNNTXRWEKE-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000245950283 488468333 /nfs/dbraw/zinc/46/83/33/488468333.db2.gz YLANQCBGLQPBOY-LZLYRXPVSA-N 2 2 368.522 0.402 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246003406 488468812 /nfs/dbraw/zinc/46/88/12/488468812.db2.gz YPGDUZNCRJOCAS-KBPBESRZSA-N 2 2 351.451 0.535 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246003406 488468814 /nfs/dbraw/zinc/46/88/14/488468814.db2.gz YPGDUZNCRJOCAS-KBPBESRZSA-N 2 2 351.451 0.535 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246442010 488473095 /nfs/dbraw/zinc/47/30/95/488473095.db2.gz NWZUENUQUNHEHA-VQHPVUNQSA-N 2 2 356.511 0.894 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000246730114 488474866 /nfs/dbraw/zinc/47/48/66/488474866.db2.gz GDKJQNCMBLZVFI-JKSUJKDBSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000246730114 488474868 /nfs/dbraw/zinc/47/48/68/488474868.db2.gz GDKJQNCMBLZVFI-JKSUJKDBSA-N 2 2 374.551 0.621 20 0 FCADLP C[NH+]1CCN(C(=O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000093168441 488478312 /nfs/dbraw/zinc/47/83/12/488478312.db2.gz KJCBMPVZTCCUNY-UHFFFAOYSA-N 2 2 366.428 0.347 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000269242721 488481883 /nfs/dbraw/zinc/48/18/83/488481883.db2.gz RNOYETLEINOGLK-IBGZPJMESA-N 2 2 371.485 0.592 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000269240713 488482035 /nfs/dbraw/zinc/48/20/35/488482035.db2.gz BDTHNRFLXVDKAZ-MJGOQNOKSA-N 3 2 371.485 0.638 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000269240713 488482038 /nfs/dbraw/zinc/48/20/38/488482038.db2.gz BDTHNRFLXVDKAZ-MJGOQNOKSA-N 3 2 371.485 0.638 20 0 FCADLP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000247249245 488483150 /nfs/dbraw/zinc/48/31/50/488483150.db2.gz NMBKXRGXDUXVHF-QAPCUYQASA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000247249245 488483151 /nfs/dbraw/zinc/48/31/51/488483151.db2.gz NMBKXRGXDUXVHF-QAPCUYQASA-N 2 2 359.470 0.996 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286772 488484324 /nfs/dbraw/zinc/48/43/24/488484324.db2.gz TXUOWMSCFJLEDP-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286772 488484325 /nfs/dbraw/zinc/48/43/25/488484325.db2.gz TXUOWMSCFJLEDP-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286772 488484326 /nfs/dbraw/zinc/48/43/26/488484326.db2.gz TXUOWMSCFJLEDP-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286772 488484327 /nfs/dbraw/zinc/48/43/27/488484327.db2.gz TXUOWMSCFJLEDP-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000269283123 488486345 /nfs/dbraw/zinc/48/63/45/488486345.db2.gz RLULKGJEJKWPLF-UHFFFAOYSA-N 2 2 351.451 0.988 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247870003 488490781 /nfs/dbraw/zinc/49/07/81/488490781.db2.gz XKFUTQHWXVJWMG-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247870003 488490785 /nfs/dbraw/zinc/49/07/85/488490785.db2.gz XKFUTQHWXVJWMG-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247870003 488490787 /nfs/dbraw/zinc/49/07/87/488490787.db2.gz XKFUTQHWXVJWMG-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]12 ZINC000248607323 488498900 /nfs/dbraw/zinc/49/89/00/488498900.db2.gz KEHOKOBODKLAOM-IXDOHACOSA-N 2 2 371.485 0.706 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104800425 488505565 /nfs/dbraw/zinc/50/55/65/488505565.db2.gz LDUYNSCLOOKWLW-HNNXBMFYSA-N 2 2 362.478 0.770 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104800425 488505566 /nfs/dbraw/zinc/50/55/66/488505566.db2.gz LDUYNSCLOOKWLW-HNNXBMFYSA-N 2 2 362.478 0.770 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000105168785 488507526 /nfs/dbraw/zinc/50/75/26/488507526.db2.gz JPHYPSUTVUBYRA-DLBZAZTESA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000105168785 488507530 /nfs/dbraw/zinc/50/75/30/488507530.db2.gz JPHYPSUTVUBYRA-DLBZAZTESA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000105168785 488507532 /nfs/dbraw/zinc/50/75/32/488507532.db2.gz JPHYPSUTVUBYRA-DLBZAZTESA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000105168785 488507534 /nfs/dbraw/zinc/50/75/34/488507534.db2.gz JPHYPSUTVUBYRA-DLBZAZTESA-N 2 2 369.506 0.735 20 0 FCADLP C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105111929 488508006 /nfs/dbraw/zinc/50/80/06/488508006.db2.gz DZBKNGLNUGOUCR-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105111929 488508007 /nfs/dbraw/zinc/50/80/07/488508007.db2.gz DZBKNGLNUGOUCR-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000249257956 488508445 /nfs/dbraw/zinc/50/84/45/488508445.db2.gz HOODRVLCNRXVOA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000249257956 488508446 /nfs/dbraw/zinc/50/84/46/488508446.db2.gz HOODRVLCNRXVOA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000249257956 488508448 /nfs/dbraw/zinc/50/84/48/488508448.db2.gz HOODRVLCNRXVOA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@@H](CO)O1 ZINC000249257956 488508450 /nfs/dbraw/zinc/50/84/50/488508450.db2.gz HOODRVLCNRXVOA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP CN(C(=O)c1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041582 488511402 /nfs/dbraw/zinc/51/14/02/488511402.db2.gz AFAKRCRQVAKARV-UHFFFAOYSA-N 2 2 358.486 0.997 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)c2ccccc2)CC1 ZINC000106403518 488513983 /nfs/dbraw/zinc/51/39/83/488513983.db2.gz QPIDILYPRKIZJX-IBGZPJMESA-N 2 2 374.529 0.890 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000249726048 488514037 /nfs/dbraw/zinc/51/40/37/488514037.db2.gz NUCDKPAIFOYFGC-OAGGEKHMSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000106525405 488515095 /nfs/dbraw/zinc/51/50/95/488515095.db2.gz ABKKHSJFZYMSAF-QZTJIDSGSA-N 2 2 368.570 0.194 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000251782464 488517355 /nfs/dbraw/zinc/51/73/55/488517355.db2.gz NJURNNBWBUVBQV-SJORKVTESA-N 2 2 361.490 0.117 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000251782464 488517358 /nfs/dbraw/zinc/51/73/58/488517358.db2.gz NJURNNBWBUVBQV-SJORKVTESA-N 2 2 361.490 0.117 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261712907 488532395 /nfs/dbraw/zinc/53/23/95/488532395.db2.gz JKUFKUICROTWEA-JKSUJKDBSA-N 2 2 359.474 0.754 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261758700 488534649 /nfs/dbraw/zinc/53/46/49/488534649.db2.gz VOBKYBYQBZGIOY-INIZCTEOSA-N 2 2 352.504 0.416 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753195 488534864 /nfs/dbraw/zinc/53/48/64/488534864.db2.gz FKTBCBQQQFZZGR-LSDHHAIUSA-N 2 2 362.478 0.247 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753195 488534865 /nfs/dbraw/zinc/53/48/65/488534865.db2.gz FKTBCBQQQFZZGR-LSDHHAIUSA-N 2 2 362.478 0.247 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000271652060 488535457 /nfs/dbraw/zinc/53/54/57/488535457.db2.gz VLJUNCLSMQGBHQ-AWEZNQCLSA-N 2 2 351.451 0.860 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000271652060 488535458 /nfs/dbraw/zinc/53/54/58/488535458.db2.gz VLJUNCLSMQGBHQ-AWEZNQCLSA-N 2 2 351.451 0.860 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC000261811667 488537169 /nfs/dbraw/zinc/53/71/69/488537169.db2.gz OWGNBSCDDNYIEX-SFHVURJKSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC000261811667 488537172 /nfs/dbraw/zinc/53/71/72/488537172.db2.gz OWGNBSCDDNYIEX-SFHVURJKSA-N 2 2 351.447 0.999 20 0 FCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676370 488537551 /nfs/dbraw/zinc/53/75/51/488537551.db2.gz IUXVVCZDUWZODD-SWLSCSKDSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676370 488537553 /nfs/dbraw/zinc/53/75/53/488537553.db2.gz IUXVVCZDUWZODD-SWLSCSKDSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676373 488537693 /nfs/dbraw/zinc/53/76/93/488537693.db2.gz IUXVVCZDUWZODD-WFASDCNBSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676373 488537695 /nfs/dbraw/zinc/53/76/95/488537695.db2.gz IUXVVCZDUWZODD-WFASDCNBSA-N 2 2 354.476 0.324 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261939044 488542618 /nfs/dbraw/zinc/54/26/18/488542618.db2.gz ZYUUPXAQWUSSAL-JKSUJKDBSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000261963524 488544016 /nfs/dbraw/zinc/54/40/16/488544016.db2.gz ANCHQDJDENLEMV-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000116993653 488550259 /nfs/dbraw/zinc/55/02/59/488550259.db2.gz MJJSWVIUMAAKFQ-KRWDZBQOSA-N 2 2 366.531 0.900 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000118103101 488553336 /nfs/dbraw/zinc/55/33/36/488553336.db2.gz YGQOYOYUAKCHSS-SFHVURJKSA-N 2 2 374.485 0.914 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)oc1C ZINC000271985613 488556801 /nfs/dbraw/zinc/55/68/01/488556801.db2.gz OKUZOIHFJNPQTG-CQSZACIVSA-N 2 2 365.430 0.397 20 0 FCADLP C[C@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]C1 ZINC000120167404 488560250 /nfs/dbraw/zinc/56/02/50/488560250.db2.gz AJXRIUVYTPZZOH-IBGZPJMESA-N 2 2 359.474 0.626 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000120120389 488560353 /nfs/dbraw/zinc/56/03/53/488560353.db2.gz ZZJAVIGBICUSML-YOEHRIQHSA-N 2 2 370.519 0.733 20 0 FCADLP C[NH2+][C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357896 488566266 /nfs/dbraw/zinc/56/62/66/488566266.db2.gz JZYPQONRHPWEKT-IAGOWNOFSA-N 2 2 370.457 0.769 20 0 FCADLP C[NH2+][C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357896 488566267 /nfs/dbraw/zinc/56/62/67/488566267.db2.gz JZYPQONRHPWEKT-IAGOWNOFSA-N 2 2 370.457 0.769 20 0 FCADLP C[NH2+][C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cnn(C)c1 ZINC000262463690 488571696 /nfs/dbraw/zinc/57/16/96/488571696.db2.gz XNYRFFFXKZTGOB-ZBFHGGJFSA-N 2 2 353.492 0.005 20 0 FCADLP C[NH2+][C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1cnn(C)c1 ZINC000262484144 488572845 /nfs/dbraw/zinc/57/28/45/488572845.db2.gz ZXMIGDUGXLZAHY-QAPCUYQASA-N 2 2 371.489 0.403 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CCCC[NH3+])CC2)cc1 ZINC000569966773 491206970 /nfs/dbraw/zinc/20/69/70/491206970.db2.gz KLUCSFSWFDWFEH-UHFFFAOYSA-N 2 2 362.474 0.698 20 0 FCADLP C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCN(C)CC1 ZINC000122469985 488578770 /nfs/dbraw/zinc/57/87/70/488578770.db2.gz BWWBGWKRRVWOPQ-IRXDYDNUSA-N 2 2 360.506 0.843 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1nnnn1C1CC1 ZINC000122957451 488581838 /nfs/dbraw/zinc/58/18/38/488581838.db2.gz QGYKOQDOPDSETP-UHFFFAOYSA-N 2 2 367.523 0.585 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1nnnn1C1CC1 ZINC000122957451 488581840 /nfs/dbraw/zinc/58/18/40/488581840.db2.gz QGYKOQDOPDSETP-UHFFFAOYSA-N 2 2 367.523 0.585 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)nc2n1 ZINC000122989670 488582369 /nfs/dbraw/zinc/58/23/69/488582369.db2.gz QMEGMFMRNWSVNA-UHFFFAOYSA-N 2 2 359.478 0.839 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)nc2n1 ZINC000122989670 488582371 /nfs/dbraw/zinc/58/23/71/488582371.db2.gz QMEGMFMRNWSVNA-UHFFFAOYSA-N 2 2 359.478 0.839 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000262796972 488594242 /nfs/dbraw/zinc/59/42/42/488594242.db2.gz DSRPWLTWKNHPAU-INIZCTEOSA-N 2 2 364.446 0.051 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000124948353 488596992 /nfs/dbraw/zinc/59/69/92/488596992.db2.gz COMFZZBMZMIKNA-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000124948353 488596996 /nfs/dbraw/zinc/59/69/96/488596996.db2.gz COMFZZBMZMIKNA-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263227042 488606730 /nfs/dbraw/zinc/60/67/30/488606730.db2.gz GTSQUQISQCKUGY-SFHVURJKSA-N 2 2 362.474 0.439 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCn1cc[nH+]c1 ZINC000126861183 488612930 /nfs/dbraw/zinc/61/29/30/488612930.db2.gz WDRLSMYHASAGDU-KRWDZBQOSA-N 2 2 372.473 0.471 20 0 FCADLP COC[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000127181839 488615089 /nfs/dbraw/zinc/61/50/89/488615089.db2.gz WZTMDWAADMVPMP-INIZCTEOSA-N 2 2 370.519 0.794 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000127269192 488615519 /nfs/dbraw/zinc/61/55/19/488615519.db2.gz XESHCAKBLLHMCE-UHFFFAOYSA-N 2 2 360.458 0.274 20 0 FCADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000128570690 488625568 /nfs/dbraw/zinc/62/55/68/488625568.db2.gz RSJGSWPJFPJOTM-UHFFFAOYSA-N 2 2 373.501 0.930 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129812879 488634123 /nfs/dbraw/zinc/63/41/23/488634123.db2.gz UDZZWJZOFJFTSS-YPMHNXCESA-N 2 2 372.429 0.416 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129812879 488634124 /nfs/dbraw/zinc/63/41/24/488634124.db2.gz UDZZWJZOFJFTSS-YPMHNXCESA-N 2 2 372.429 0.416 20 0 FCADLP CC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000130262104 488636493 /nfs/dbraw/zinc/63/64/93/488636493.db2.gz FFDXKBMIKTWPTH-OAHLLOKOSA-N 2 2 354.476 0.689 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131017611 488642391 /nfs/dbraw/zinc/64/23/91/488642391.db2.gz QVFUDTILEFMRFK-KRWDZBQOSA-N 2 2 363.506 0.719 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131017611 488642392 /nfs/dbraw/zinc/64/23/92/488642392.db2.gz QVFUDTILEFMRFK-KRWDZBQOSA-N 2 2 363.506 0.719 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000131372492 488645560 /nfs/dbraw/zinc/64/55/60/488645560.db2.gz QRROVUGOLKCQFK-GOSISDBHSA-N 2 2 374.485 0.120 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000131372492 488645563 /nfs/dbraw/zinc/64/55/63/488645563.db2.gz QRROVUGOLKCQFK-GOSISDBHSA-N 2 2 374.485 0.120 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133310089 488658797 /nfs/dbraw/zinc/65/87/97/488658797.db2.gz FLEDQBILJFNQTD-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133310089 488658799 /nfs/dbraw/zinc/65/87/99/488658799.db2.gz FLEDQBILJFNQTD-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133310089 488658800 /nfs/dbraw/zinc/65/88/00/488658800.db2.gz FLEDQBILJFNQTD-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133310089 488658802 /nfs/dbraw/zinc/65/88/02/488658802.db2.gz FLEDQBILJFNQTD-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CS(=O)(=O)N1CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000133259515 488658950 /nfs/dbraw/zinc/65/89/50/488658950.db2.gz ULCCKMUKZFJNDG-LBPRGKRZSA-N 2 2 373.442 0.904 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133310314 488658997 /nfs/dbraw/zinc/65/89/97/488658997.db2.gz FLEDQBILJFNQTD-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133310314 488658999 /nfs/dbraw/zinc/65/89/99/488658999.db2.gz FLEDQBILJFNQTD-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133310314 488659001 /nfs/dbraw/zinc/65/90/01/488659001.db2.gz FLEDQBILJFNQTD-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133310314 488659004 /nfs/dbraw/zinc/65/90/04/488659004.db2.gz FLEDQBILJFNQTD-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000134740713 488668993 /nfs/dbraw/zinc/66/89/93/488668993.db2.gz JQRZDJLFMFWFGW-IRXDYDNUSA-N 2 2 354.495 0.386 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134883963 488669594 /nfs/dbraw/zinc/66/95/94/488669594.db2.gz YYHVPWFEHDIWDV-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134883963 488669597 /nfs/dbraw/zinc/66/95/97/488669597.db2.gz YYHVPWFEHDIWDV-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134883963 488669600 /nfs/dbraw/zinc/66/96/00/488669600.db2.gz YYHVPWFEHDIWDV-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134883963 488669601 /nfs/dbraw/zinc/66/96/01/488669601.db2.gz YYHVPWFEHDIWDV-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135571405 488674150 /nfs/dbraw/zinc/67/41/50/488674150.db2.gz DLBCYUKGGAQSGI-MRXNPFEDSA-N 2 2 363.506 0.956 20 0 FCADLP Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135571405 488674151 /nfs/dbraw/zinc/67/41/51/488674151.db2.gz DLBCYUKGGAQSGI-MRXNPFEDSA-N 2 2 363.506 0.956 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@]1(CO)CCc2ccccc21)[NH+]1CCOCC1 ZINC000136181688 488676451 /nfs/dbraw/zinc/67/64/51/488676451.db2.gz AHUSDSDYSGQRCE-FQEVSTJZSA-N 2 2 361.486 0.637 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)ccn1 ZINC000136108543 488676476 /nfs/dbraw/zinc/67/64/76/488676476.db2.gz YNVXJCWFFOCOEP-UHFFFAOYSA-N 2 2 350.463 0.863 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccn1 ZINC000137296698 488680597 /nfs/dbraw/zinc/68/05/97/488680597.db2.gz DCFIHUCUWHGWDP-QGZVFWFLSA-N 2 2 362.474 0.959 20 0 FCADLP O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000274062240 488681520 /nfs/dbraw/zinc/68/15/20/488681520.db2.gz AIVDZOFBKCBZKL-DLBZAZTESA-N 2 2 365.499 0.601 20 0 FCADLP O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000274062240 488681522 /nfs/dbraw/zinc/68/15/22/488681522.db2.gz AIVDZOFBKCBZKL-DLBZAZTESA-N 2 2 365.499 0.601 20 0 FCADLP COC(=O)CNC(=O)CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000264600166 488689200 /nfs/dbraw/zinc/68/92/00/488689200.db2.gz DNXLSFLXKGFPNQ-UHFFFAOYSA-N 2 2 363.462 0.710 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000264659492 488695425 /nfs/dbraw/zinc/69/54/25/488695425.db2.gz YJNHTBRKWCPVCF-HNNXBMFYSA-N 2 2 371.445 0.406 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000264659492 488695428 /nfs/dbraw/zinc/69/54/28/488695428.db2.gz YJNHTBRKWCPVCF-HNNXBMFYSA-N 2 2 371.445 0.406 20 0 FCADLP CC(C)[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[NH+]1CCOCC1 ZINC000274308499 488697412 /nfs/dbraw/zinc/69/74/12/488697412.db2.gz ABHTVXDMCWCKKE-OAHLLOKOSA-N 2 2 362.478 0.524 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)O1 ZINC000151199666 488702870 /nfs/dbraw/zinc/70/28/70/488702870.db2.gz UJZAADODCUGBHN-HZPDHXFCSA-N 2 2 370.538 0.972 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCN(C)CC1 ZINC000151217621 488703112 /nfs/dbraw/zinc/70/31/12/488703112.db2.gz NTOIZPUEEJDLBE-KRWDZBQOSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)N1CC[NH+](C)CC1 ZINC000151217621 488703114 /nfs/dbraw/zinc/70/31/14/488703114.db2.gz NTOIZPUEEJDLBE-KRWDZBQOSA-N 2 2 369.554 0.357 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264776395 488710313 /nfs/dbraw/zinc/71/03/13/488710313.db2.gz UGTGIVMMPALUNQ-IAGOWNOFSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264776395 488710316 /nfs/dbraw/zinc/71/03/16/488710316.db2.gz UGTGIVMMPALUNQ-IAGOWNOFSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776395 488710318 /nfs/dbraw/zinc/71/03/18/488710318.db2.gz UGTGIVMMPALUNQ-IAGOWNOFSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776395 488710320 /nfs/dbraw/zinc/71/03/20/488710320.db2.gz UGTGIVMMPALUNQ-IAGOWNOFSA-N 2 2 351.470 0.973 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000152290996 488715961 /nfs/dbraw/zinc/71/59/61/488715961.db2.gz QPPIDLNQNBFHCD-ZBFHGGJFSA-N 2 2 362.478 0.686 20 0 FCADLP O=C(CC[N@@H+]1CCc2n[nH]c(=O)cc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000274858818 488738291 /nfs/dbraw/zinc/73/82/91/488738291.db2.gz HSFXYWDUEFFOEX-UHFFFAOYSA-N 2 2 368.441 0.262 20 0 FCADLP O=C(CC[N@H+]1CCc2n[nH]c(=O)cc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000274858818 488738292 /nfs/dbraw/zinc/73/82/92/488738292.db2.gz HSFXYWDUEFFOEX-UHFFFAOYSA-N 2 2 368.441 0.262 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cn2)CC1 ZINC000155061944 488750282 /nfs/dbraw/zinc/75/02/82/488750282.db2.gz GCCDCZMONBHTQC-IAGOWNOFSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cn2)CC1 ZINC000155061944 488750284 /nfs/dbraw/zinc/75/02/84/488750284.db2.gz GCCDCZMONBHTQC-IAGOWNOFSA-N 2 2 374.489 0.058 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1n1cc[nH+]c1 ZINC000155053448 488750372 /nfs/dbraw/zinc/75/03/72/488750372.db2.gz HHWNWGBTPDFEMM-GJZGRUSLSA-N 2 2 373.461 0.689 20 0 FCADLP CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000570156668 491220198 /nfs/dbraw/zinc/22/01/98/491220198.db2.gz KAKRRZAKFUZQOO-QJESEZNXSA-N 2 2 352.479 0.793 20 0 FCADLP CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000570156668 491220200 /nfs/dbraw/zinc/22/02/00/491220200.db2.gz KAKRRZAKFUZQOO-QJESEZNXSA-N 2 2 352.479 0.793 20 0 FCADLP CC[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+](C)C ZINC000155317218 488754051 /nfs/dbraw/zinc/75/40/51/488754051.db2.gz SNSJAGJNLQCMAX-OAHLLOKOSA-N 2 2 362.478 0.302 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)ccn2)CC1 ZINC000156131450 488762738 /nfs/dbraw/zinc/76/27/38/488762738.db2.gz DMFJDKLWGSXKEI-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP CC1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC000570164752 491221020 /nfs/dbraw/zinc/22/10/20/491221020.db2.gz VFXUROCUKFFYJZ-UHFFFAOYSA-N 2 2 359.474 0.769 20 0 FCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000157000028 488768510 /nfs/dbraw/zinc/76/85/10/488768510.db2.gz HJPIFDCRSUAZPJ-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000157000028 488768511 /nfs/dbraw/zinc/76/85/11/488768511.db2.gz HJPIFDCRSUAZPJ-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000028 488768512 /nfs/dbraw/zinc/76/85/12/488768512.db2.gz HJPIFDCRSUAZPJ-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000028 488768514 /nfs/dbraw/zinc/76/85/14/488768514.db2.gz HJPIFDCRSUAZPJ-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275208707 488772992 /nfs/dbraw/zinc/77/29/92/488772992.db2.gz RTUWJKNPNRYADV-SNRMKQJTSA-N 2 2 371.485 0.822 20 0 FCADLP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275208707 488772995 /nfs/dbraw/zinc/77/29/95/488772995.db2.gz RTUWJKNPNRYADV-SNRMKQJTSA-N 2 2 371.485 0.822 20 0 FCADLP CC(=O)N[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710214 488773261 /nfs/dbraw/zinc/77/32/61/488773261.db2.gz XDVAVJAQGVYNFD-HDICACEKSA-N 2 2 366.506 0.204 20 0 FCADLP CC(=O)N[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710214 488773263 /nfs/dbraw/zinc/77/32/63/488773263.db2.gz XDVAVJAQGVYNFD-HDICACEKSA-N 2 2 366.506 0.204 20 0 FCADLP CC(=O)N[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710214 488773266 /nfs/dbraw/zinc/77/32/66/488773266.db2.gz XDVAVJAQGVYNFD-HDICACEKSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158053071 488775188 /nfs/dbraw/zinc/77/51/88/488775188.db2.gz ONVVUCVMPKPWED-SFHVURJKSA-N 2 2 373.497 0.970 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158053071 488775191 /nfs/dbraw/zinc/77/51/91/488775191.db2.gz ONVVUCVMPKPWED-SFHVURJKSA-N 2 2 373.497 0.970 20 0 FCADLP C[N@@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158230260 488776227 /nfs/dbraw/zinc/77/62/27/488776227.db2.gz WPGGPAILKGUQJP-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158230260 488776230 /nfs/dbraw/zinc/77/62/30/488776230.db2.gz WPGGPAILKGUQJP-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP CSC[C@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000158199043 488776530 /nfs/dbraw/zinc/77/65/30/488776530.db2.gz YYRYCEKJIDSVDX-QGZVFWFLSA-N 2 2 358.552 0.958 20 0 FCADLP CCOC1CC(CNc2cc(-n3cccn3)nc(N)[nH+]2)([NH+]2CCOCC2)C1 ZINC000278133117 488801927 /nfs/dbraw/zinc/80/19/27/488801927.db2.gz ZNROTJXMMRTLLW-UHFFFAOYSA-N 2 2 373.461 0.926 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162460467 488802548 /nfs/dbraw/zinc/80/25/48/488802548.db2.gz NOMSBUQMDCKCNB-AAEUAGOBSA-N 2 2 374.894 0.108 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162460467 488802550 /nfs/dbraw/zinc/80/25/50/488802550.db2.gz NOMSBUQMDCKCNB-AAEUAGOBSA-N 2 2 374.894 0.108 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000163238719 488806913 /nfs/dbraw/zinc/80/69/13/488806913.db2.gz ZRJKKLATAWRMNN-CYBMUJFWSA-N 2 2 354.476 0.019 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000163493609 488808092 /nfs/dbraw/zinc/80/80/92/488808092.db2.gz WOOPDXCTHJBDJX-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152856 491222882 /nfs/dbraw/zinc/22/28/82/491222882.db2.gz NNZLYIMMHGIIEA-CABCVRRESA-N 2 2 365.499 0.988 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1)c1ccccc1F ZINC000167838422 488812425 /nfs/dbraw/zinc/81/24/25/488812425.db2.gz CNPLJZDJHHIVKJ-OAHLLOKOSA-N 2 2 362.449 0.699 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000171079828 488819382 /nfs/dbraw/zinc/81/93/82/488819382.db2.gz OTAIGTRSUHJXIK-INIZCTEOSA-N 2 2 353.511 0.666 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000171079828 488819380 /nfs/dbraw/zinc/81/93/80/488819380.db2.gz OTAIGTRSUHJXIK-INIZCTEOSA-N 2 2 353.511 0.666 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000171409225 488822711 /nfs/dbraw/zinc/82/27/11/488822711.db2.gz RKWHAOSGSXMYNM-UHFFFAOYSA-N 2 2 350.467 0.469 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000171981975 488829457 /nfs/dbraw/zinc/82/94/57/488829457.db2.gz NABQYMQHQDFVEX-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000171981975 488829458 /nfs/dbraw/zinc/82/94/58/488829458.db2.gz NABQYMQHQDFVEX-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@H](OCCO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000172292444 488832243 /nfs/dbraw/zinc/83/22/43/488832243.db2.gz RXZDFJVBCZJFHM-QGZVFWFLSA-N 2 2 362.474 0.594 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@H](OCCO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000172292444 488832244 /nfs/dbraw/zinc/83/22/44/488832244.db2.gz RXZDFJVBCZJFHM-QGZVFWFLSA-N 2 2 362.474 0.594 20 0 FCADLP CC(=O)Nc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172698168 488836583 /nfs/dbraw/zinc/83/65/83/488836583.db2.gz XSJHHXVSJIPSPU-SFHVURJKSA-N 2 2 360.458 0.668 20 0 FCADLP CCC(CC)[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC000173074310 488840773 /nfs/dbraw/zinc/84/07/73/488840773.db2.gz MDXYVGGTAOAEES-GOSISDBHSA-N 2 2 368.522 0.450 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000173396262 488842531 /nfs/dbraw/zinc/84/25/31/488842531.db2.gz PMWPEUCHRNXYQW-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP CCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000173618647 488844083 /nfs/dbraw/zinc/84/40/83/488844083.db2.gz GOVIXDDRDVGWHA-HOCLYGCPSA-N 2 2 359.536 0.873 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000173741927 488845080 /nfs/dbraw/zinc/84/50/80/488845080.db2.gz DTVOHKQVKRVDKP-SFHVURJKSA-N 2 2 367.538 0.519 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000173741927 488845081 /nfs/dbraw/zinc/84/50/81/488845081.db2.gz DTVOHKQVKRVDKP-SFHVURJKSA-N 2 2 367.538 0.519 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000174243340 488848086 /nfs/dbraw/zinc/84/80/86/488848086.db2.gz ZNDZFHKMDGPFHJ-IRXDYDNUSA-N 2 2 356.511 0.848 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000174280690 488848510 /nfs/dbraw/zinc/84/85/10/488848510.db2.gz SXEZMYXHZHTZQY-KRWDZBQOSA-N 2 2 356.511 0.707 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000174685537 488850681 /nfs/dbraw/zinc/85/06/81/488850681.db2.gz RFFGFFRVVMMXFH-UHFFFAOYSA-N 2 2 360.506 0.835 20 0 FCADLP CNC(=O)c1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175636357 488854829 /nfs/dbraw/zinc/85/48/29/488854829.db2.gz YAMWNRBZVGTLQN-UHFFFAOYSA-N 2 2 361.490 0.871 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000176150134 488857557 /nfs/dbraw/zinc/85/75/57/488857557.db2.gz ZJTVDHKVESFYNO-BBWFWOEESA-N 2 2 354.495 0.459 20 0 FCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272317 488858065 /nfs/dbraw/zinc/85/80/65/488858065.db2.gz ISNVJAAIMQNUIQ-QGZVFWFLSA-N 2 2 360.506 0.789 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272317 488858066 /nfs/dbraw/zinc/85/80/66/488858066.db2.gz ISNVJAAIMQNUIQ-QGZVFWFLSA-N 2 2 360.506 0.789 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272317 488858067 /nfs/dbraw/zinc/85/80/67/488858067.db2.gz ISNVJAAIMQNUIQ-QGZVFWFLSA-N 2 2 360.506 0.789 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272317 488858068 /nfs/dbraw/zinc/85/80/68/488858068.db2.gz ISNVJAAIMQNUIQ-QGZVFWFLSA-N 2 2 360.506 0.789 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000176339285 488858174 /nfs/dbraw/zinc/85/81/74/488858174.db2.gz KGHPCKZYVQQGEA-ROUUACIJSA-N 2 2 367.538 0.234 20 0 FCADLP CCOCCO[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179281576 488860969 /nfs/dbraw/zinc/86/09/69/488860969.db2.gz QHOGZLGEIBSVNK-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329236671 488983660 /nfs/dbraw/zinc/98/36/60/488983660.db2.gz OLNOZSWYZDQYBB-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000288498372 488986424 /nfs/dbraw/zinc/98/64/24/488986424.db2.gz BEJYEEIIIUHREV-IRXDYDNUSA-N 2 2 363.458 0.327 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000329342673 488995475 /nfs/dbraw/zinc/99/54/75/488995475.db2.gz PRTBIFOKGCNSNT-RDJZCZTQSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000329342673 488995478 /nfs/dbraw/zinc/99/54/78/488995478.db2.gz PRTBIFOKGCNSNT-RDJZCZTQSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342673 488995480 /nfs/dbraw/zinc/99/54/80/488995480.db2.gz PRTBIFOKGCNSNT-RDJZCZTQSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342673 488995483 /nfs/dbraw/zinc/99/54/83/488995483.db2.gz PRTBIFOKGCNSNT-RDJZCZTQSA-N 2 2 353.507 0.933 20 0 FCADLP O=C(NCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563202969 491227045 /nfs/dbraw/zinc/22/70/45/491227045.db2.gz KAHLJFOLUCNYFL-HUUCEWRRSA-N 2 2 370.457 0.527 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000364783072 489001544 /nfs/dbraw/zinc/00/15/44/489001544.db2.gz BKNASNLDPLOTNE-ZOBUZTSGSA-N 2 2 354.495 0.600 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000364783072 489001547 /nfs/dbraw/zinc/00/15/47/489001547.db2.gz BKNASNLDPLOTNE-ZOBUZTSGSA-N 2 2 354.495 0.600 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000364783069 489001585 /nfs/dbraw/zinc/00/15/85/489001585.db2.gz BKNASNLDPLOTNE-INMHGKMJSA-N 2 2 354.495 0.600 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000364783069 489001589 /nfs/dbraw/zinc/00/15/89/489001589.db2.gz BKNASNLDPLOTNE-INMHGKMJSA-N 2 2 354.495 0.600 20 0 FCADLP Cn1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000280476938 489011755 /nfs/dbraw/zinc/01/17/55/489011755.db2.gz PHQOJISEIBORAM-CALCHBBNSA-N 2 2 354.454 0.648 20 0 FCADLP Cn1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000280476938 489011759 /nfs/dbraw/zinc/01/17/59/489011759.db2.gz PHQOJISEIBORAM-CALCHBBNSA-N 2 2 354.454 0.648 20 0 FCADLP Cn1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000280476938 489011762 /nfs/dbraw/zinc/01/17/62/489011762.db2.gz PHQOJISEIBORAM-CALCHBBNSA-N 2 2 354.454 0.648 20 0 FCADLP Cn1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000280476938 489011765 /nfs/dbraw/zinc/01/17/65/489011765.db2.gz PHQOJISEIBORAM-CALCHBBNSA-N 2 2 354.454 0.648 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000364898858 489015631 /nfs/dbraw/zinc/01/56/31/489015631.db2.gz KUNKKSGWMARTDN-BZSNNMDCSA-N 2 2 368.522 0.990 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000364898858 489015635 /nfs/dbraw/zinc/01/56/35/489015635.db2.gz KUNKKSGWMARTDN-BZSNNMDCSA-N 2 2 368.522 0.990 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000364909409 489016661 /nfs/dbraw/zinc/01/66/61/489016661.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000364909409 489016664 /nfs/dbraw/zinc/01/66/64/489016664.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364909409 489016666 /nfs/dbraw/zinc/01/66/66/489016666.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364909409 489016669 /nfs/dbraw/zinc/01/66/69/489016669.db2.gz DGXVCAKGBFRBPA-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)N1CC[NH+](CC)CC1)CC2 ZINC000329595080 489019165 /nfs/dbraw/zinc/01/91/65/489019165.db2.gz VEYOAVCSQPTGMV-GVDBMIGSSA-N 2 2 353.507 0.791 20 0 FCADLP CCCN1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364949130 489021986 /nfs/dbraw/zinc/02/19/86/489021986.db2.gz GZGVDJIKGJJAAZ-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP CCCN1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364949130 489021988 /nfs/dbraw/zinc/02/19/88/489021988.db2.gz GZGVDJIKGJJAAZ-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP CN(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c[nH+]cn1C ZINC000280696156 489025243 /nfs/dbraw/zinc/02/52/43/489025243.db2.gz ACDAAHLKHXYGSN-MJGOQNOKSA-N 2 2 371.485 0.906 20 0 FCADLP CN(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c[nH+]cn1C ZINC000280696156 489025246 /nfs/dbraw/zinc/02/52/46/489025246.db2.gz ACDAAHLKHXYGSN-MJGOQNOKSA-N 2 2 371.485 0.906 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1c(F)cccc1F ZINC000570265056 491228741 /nfs/dbraw/zinc/22/87/41/491228741.db2.gz IUXUTIHIWMDFND-AWEZNQCLSA-N 2 2 369.416 0.299 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929887 489029834 /nfs/dbraw/zinc/02/98/34/489029834.db2.gz DWRGPHOVQPVOQK-HOCLYGCPSA-N 2 2 357.458 0.329 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929887 489029838 /nfs/dbraw/zinc/02/98/38/489029838.db2.gz DWRGPHOVQPVOQK-HOCLYGCPSA-N 2 2 357.458 0.329 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000288954982 489032011 /nfs/dbraw/zinc/03/20/11/489032011.db2.gz PERRHYQKDQWJRU-GJZGRUSLSA-N 2 2 357.458 0.472 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000288954982 489032013 /nfs/dbraw/zinc/03/20/13/489032013.db2.gz PERRHYQKDQWJRU-GJZGRUSLSA-N 2 2 357.458 0.472 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000288954985 489032160 /nfs/dbraw/zinc/03/21/60/489032160.db2.gz PERRHYQKDQWJRU-LSDHHAIUSA-N 2 2 357.458 0.472 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000288954985 489032162 /nfs/dbraw/zinc/03/21/62/489032162.db2.gz PERRHYQKDQWJRU-LSDHHAIUSA-N 2 2 357.458 0.472 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000365258984 489054261 /nfs/dbraw/zinc/05/42/61/489054261.db2.gz IRRMRPNKQAOJON-YESZJQIVSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000365258984 489054265 /nfs/dbraw/zinc/05/42/65/489054265.db2.gz IRRMRPNKQAOJON-YESZJQIVSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000330115062 489070545 /nfs/dbraw/zinc/07/05/45/489070545.db2.gz FKCXCBKURWKOGG-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cn1 ZINC000330115062 489070548 /nfs/dbraw/zinc/07/05/48/489070548.db2.gz FKCXCBKURWKOGG-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)nc1 ZINC000330115062 489070551 /nfs/dbraw/zinc/07/05/51/489070551.db2.gz FKCXCBKURWKOGG-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)nc1 ZINC000330115062 489070554 /nfs/dbraw/zinc/07/05/54/489070554.db2.gz FKCXCBKURWKOGG-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000563245052 491231610 /nfs/dbraw/zinc/23/16/10/491231610.db2.gz JFGMTTTWYGENOQ-GOEBONIOSA-N 2 2 368.503 0.331 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000330251535 489084970 /nfs/dbraw/zinc/08/49/70/489084970.db2.gz NPRCROZGKOVRIF-MRXNPFEDSA-N 2 2 364.494 1.163 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000365665093 489098005 /nfs/dbraw/zinc/09/80/05/489098005.db2.gz OPOAUYHQOLQSNB-HNNXBMFYSA-N 2 2 363.462 0.900 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000365665093 489098007 /nfs/dbraw/zinc/09/80/07/489098007.db2.gz OPOAUYHQOLQSNB-HNNXBMFYSA-N 2 2 363.462 0.900 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000554935467 491232965 /nfs/dbraw/zinc/23/29/65/491232965.db2.gz FWVSZPXSXSECJN-MPTYRVRUSA-N 2 2 355.479 0.484 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000554935467 491232967 /nfs/dbraw/zinc/23/29/67/491232967.db2.gz FWVSZPXSXSECJN-MPTYRVRUSA-N 2 2 355.479 0.484 20 0 FCADLP C[C@H](NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000570320950 491233005 /nfs/dbraw/zinc/23/30/05/491233005.db2.gz QIQZZNNKYYVIEN-RDJZCZTQSA-N 2 2 366.531 0.853 20 0 FCADLP CC1(C)CC(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC(C)(C)[NH2+]1 ZINC000668333750 493332571 /nfs/dbraw/zinc/33/25/71/493332571.db2.gz AJBPRJLENKYMMR-HNNXBMFYSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270966 489126789 /nfs/dbraw/zinc/12/67/89/489126789.db2.gz AEYIOSRCTOXCHD-IJEWVQPXSA-N 2 2 357.458 0.375 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270966 489126793 /nfs/dbraw/zinc/12/67/93/489126793.db2.gz AEYIOSRCTOXCHD-IJEWVQPXSA-N 2 2 357.458 0.375 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000290320857 489130799 /nfs/dbraw/zinc/13/07/99/489130799.db2.gz DKCFXYZFLHOABZ-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(=O)NCC(F)(F)F)CC2)CC1 ZINC000330740003 489138895 /nfs/dbraw/zinc/13/88/95/489138895.db2.gz AJKMNUXAJYIBBG-UHFFFAOYSA-N 2 2 364.412 0.730 20 0 FCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000330744910 489138949 /nfs/dbraw/zinc/13/89/49/489138949.db2.gz DNZVXSXBMNQIMX-UHFFFAOYSA-N 2 2 364.368 0.834 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499192 489144587 /nfs/dbraw/zinc/14/45/87/489144587.db2.gz MVRRLRPQQRARDX-PMPSAXMXSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499192 489144590 /nfs/dbraw/zinc/14/45/90/489144590.db2.gz MVRRLRPQQRARDX-PMPSAXMXSA-N 2 2 359.474 0.575 20 0 FCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366097987 489144639 /nfs/dbraw/zinc/14/46/39/489144639.db2.gz WBBNFCAOMBFBDW-RBUKOAKNSA-N 2 2 359.470 0.821 20 0 FCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366097987 489144643 /nfs/dbraw/zinc/14/46/43/489144643.db2.gz WBBNFCAOMBFBDW-RBUKOAKNSA-N 2 2 359.470 0.821 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499144 489145008 /nfs/dbraw/zinc/14/50/08/489145008.db2.gz MVRRLRPQQRARDX-OAGGEKHMSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499144 489145011 /nfs/dbraw/zinc/14/50/11/489145011.db2.gz MVRRLRPQQRARDX-OAGGEKHMSA-N 2 2 359.474 0.575 20 0 FCADLP CC[N@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000282230995 489147132 /nfs/dbraw/zinc/14/71/32/489147132.db2.gz ZITLFWJHHCWBBO-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP CC[N@@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000282230995 489147135 /nfs/dbraw/zinc/14/71/35/489147135.db2.gz ZITLFWJHHCWBBO-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290618158 489153265 /nfs/dbraw/zinc/15/32/65/489153265.db2.gz SDMQRFQMZWUZMY-JKSUJKDBSA-N 2 2 359.474 0.719 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290643531 489154952 /nfs/dbraw/zinc/15/49/52/489154952.db2.gz TVICXYGEXALKAP-INIZCTEOSA-N 2 2 371.485 0.767 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)C1 ZINC000366190069 489156034 /nfs/dbraw/zinc/15/60/34/489156034.db2.gz ZHBOYKYYZTZNJG-IBGZPJMESA-N 2 2 373.505 0.336 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)C1 ZINC000366190069 489156036 /nfs/dbraw/zinc/15/60/36/489156036.db2.gz ZHBOYKYYZTZNJG-IBGZPJMESA-N 2 2 373.505 0.336 20 0 FCADLP O=C(CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000290723031 489160491 /nfs/dbraw/zinc/16/04/91/489160491.db2.gz WPAFPZAWQILYPD-IRXDYDNUSA-N 2 2 371.485 0.578 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729896 489161129 /nfs/dbraw/zinc/16/11/29/489161129.db2.gz YFOXTWVOCJJZOQ-BRWVUGGUSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729896 489161131 /nfs/dbraw/zinc/16/11/31/489161131.db2.gz YFOXTWVOCJJZOQ-BRWVUGGUSA-N 2 2 371.485 0.719 20 0 FCADLP C[C@@H]1OCC[C@]12CN(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308388 489169236 /nfs/dbraw/zinc/16/92/36/489169236.db2.gz HLTWTGRFNZARMR-FCEWJHQRSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1OCC[C@]12CN(C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308388 489169238 /nfs/dbraw/zinc/16/92/38/489169238.db2.gz HLTWTGRFNZARMR-FCEWJHQRSA-N 2 2 366.506 0.744 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21)[NH+]1CCOCC1 ZINC000366367849 489174936 /nfs/dbraw/zinc/17/49/36/489174936.db2.gz ZTHGCHKRVRBJQC-HUUCEWRRSA-N 2 2 357.520 0.420 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCS[C@@H]2COCC[C@H]21)[NH+]1CCOCC1 ZINC000366367849 489174937 /nfs/dbraw/zinc/17/49/37/489174937.db2.gz ZTHGCHKRVRBJQC-HUUCEWRRSA-N 2 2 357.520 0.420 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458544 489184868 /nfs/dbraw/zinc/18/48/68/489184868.db2.gz DJFNAUVYBGIBHG-GOEBONIOSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458544 489184871 /nfs/dbraw/zinc/18/48/71/489184871.db2.gz DJFNAUVYBGIBHG-GOEBONIOSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458544 489184873 /nfs/dbraw/zinc/18/48/73/489184873.db2.gz DJFNAUVYBGIBHG-GOEBONIOSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458544 489184876 /nfs/dbraw/zinc/18/48/76/489184876.db2.gz DJFNAUVYBGIBHG-GOEBONIOSA-N 2 2 368.478 0.128 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000563351058 491238577 /nfs/dbraw/zinc/23/85/77/491238577.db2.gz VKFFUISUPAUNTD-OAHLLOKOSA-N 2 2 355.446 0.348 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000563351058 491238578 /nfs/dbraw/zinc/23/85/78/491238578.db2.gz VKFFUISUPAUNTD-OAHLLOKOSA-N 2 2 355.446 0.348 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331654357 489215630 /nfs/dbraw/zinc/21/56/30/489215630.db2.gz RZEOIIGKAWJHLC-OWCLPIDISA-N 2 2 351.495 0.594 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)[nH+]c1 ZINC000368969861 489223345 /nfs/dbraw/zinc/22/33/45/489223345.db2.gz PPHZCNHFNDMVMQ-IRXDYDNUSA-N 2 2 361.490 1.433 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[nH+]c1 ZINC000368969962 489223811 /nfs/dbraw/zinc/22/38/11/489223811.db2.gz PPHZCNHFNDMVMQ-SJORKVTESA-N 2 2 361.490 1.433 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369137 489231359 /nfs/dbraw/zinc/23/13/59/489231359.db2.gz FLQFLTXVAHBQBU-GDBMZVCRSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369137 489231361 /nfs/dbraw/zinc/23/13/61/489231361.db2.gz FLQFLTXVAHBQBU-GDBMZVCRSA-N 2 2 351.495 0.463 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(=O)NCC(F)(F)F)C2)CC1 ZINC000369386626 489231912 /nfs/dbraw/zinc/23/19/12/489231912.db2.gz CWFGLTSPFLUPJF-LLVKDONJSA-N 2 2 365.400 0.133 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(=O)NCC(F)(F)F)C2)CC1 ZINC000369386626 489231915 /nfs/dbraw/zinc/23/19/15/489231915.db2.gz CWFGLTSPFLUPJF-LLVKDONJSA-N 2 2 365.400 0.133 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000283258324 489234511 /nfs/dbraw/zinc/23/45/11/489234511.db2.gz DYNWYNUSYRBLLA-UHFFFAOYSA-N 2 2 371.441 0.223 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332855206 489239363 /nfs/dbraw/zinc/23/93/63/489239363.db2.gz YVYCZJOPXXUUQO-SQNIBIBYSA-N 2 2 367.538 0.299 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332855206 489239365 /nfs/dbraw/zinc/23/93/65/489239365.db2.gz YVYCZJOPXXUUQO-SQNIBIBYSA-N 2 2 367.538 0.299 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283295991 489241094 /nfs/dbraw/zinc/24/10/94/489241094.db2.gz HQOOAQPAGNASPT-CQSZACIVSA-N 2 2 361.471 0.966 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283300854 489241423 /nfs/dbraw/zinc/24/14/23/489241423.db2.gz DCMLFOIBVDZJGC-UHFFFAOYSA-N 2 2 361.446 0.078 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283300854 489241426 /nfs/dbraw/zinc/24/14/26/489241426.db2.gz DCMLFOIBVDZJGC-UHFFFAOYSA-N 2 2 361.446 0.078 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1=CC[N@H+](C)CC1 ZINC000283303748 489242040 /nfs/dbraw/zinc/24/20/40/489242040.db2.gz ACMULCOHRGFRNB-AWEZNQCLSA-N 2 2 355.442 0.760 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000283303748 489242042 /nfs/dbraw/zinc/24/20/42/489242042.db2.gz ACMULCOHRGFRNB-AWEZNQCLSA-N 2 2 355.442 0.760 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478800 489242721 /nfs/dbraw/zinc/24/27/21/489242721.db2.gz NGTGPDQBQQROAB-RDJZCZTQSA-N 2 2 372.535 0.214 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478800 489242724 /nfs/dbraw/zinc/24/27/24/489242724.db2.gz NGTGPDQBQQROAB-RDJZCZTQSA-N 2 2 372.535 0.214 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297806710 489243997 /nfs/dbraw/zinc/24/39/97/489243997.db2.gz RXSPCDCNZLQLKD-INIZCTEOSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297806710 489243998 /nfs/dbraw/zinc/24/39/98/489243998.db2.gz RXSPCDCNZLQLKD-INIZCTEOSA-N 2 2 367.453 0.958 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000563422617 491243808 /nfs/dbraw/zinc/24/38/08/491243808.db2.gz IRHJXJSEGPBAGL-IRUJWGPZSA-N 2 2 356.377 0.036 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H](C)c3nn[nH]n3)CC2)CC1 ZINC000563389468 491241489 /nfs/dbraw/zinc/24/14/89/491241489.db2.gz AFDRYVXKSPQHJQ-AWEZNQCLSA-N 2 2 363.510 0.958 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000283351116 489248148 /nfs/dbraw/zinc/24/81/48/489248148.db2.gz DTAYFSRXQHQKFL-UHFFFAOYSA-N 2 2 361.446 0.155 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000283351116 489248152 /nfs/dbraw/zinc/24/81/52/489248152.db2.gz DTAYFSRXQHQKFL-UHFFFAOYSA-N 2 2 361.446 0.155 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000334009783 489266011 /nfs/dbraw/zinc/26/60/11/489266011.db2.gz VJQLTYWYMHZLAB-XDNAFOTISA-N 2 2 366.506 0.527 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000334009783 489266014 /nfs/dbraw/zinc/26/60/14/489266014.db2.gz VJQLTYWYMHZLAB-XDNAFOTISA-N 2 2 366.506 0.527 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000297991767 489274211 /nfs/dbraw/zinc/27/42/11/489274211.db2.gz ZIWQFAUZGQQMGY-UHFFFAOYSA-N 2 2 374.489 0.331 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000298052001 489282771 /nfs/dbraw/zinc/28/27/71/489282771.db2.gz SRDNFGUGBQYNEN-JJRVBVJISA-N 2 2 362.478 0.866 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NCCn2cc[nH+]c2C)[NH+](C)C)c1 ZINC000283643120 489285138 /nfs/dbraw/zinc/28/51/38/489285138.db2.gz YOQJZQUSXXVHIB-KRWDZBQOSA-N 2 2 373.457 0.735 20 0 FCADLP COc1ccccc1C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369972337 489298171 /nfs/dbraw/zinc/29/81/71/489298171.db2.gz GJZHQFKZPRCCDR-OAHLLOKOSA-N 2 2 374.485 0.710 20 0 FCADLP COc1ccccc1C(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369972337 489298175 /nfs/dbraw/zinc/29/81/75/489298175.db2.gz GJZHQFKZPRCCDR-OAHLLOKOSA-N 2 2 374.485 0.710 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)c1cccs1 ZINC000284272421 489309549 /nfs/dbraw/zinc/30/95/49/489309549.db2.gz HEYZHAONPYXTQZ-AWEZNQCLSA-N 2 2 368.503 0.306 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)c1cccs1 ZINC000284272427 489309702 /nfs/dbraw/zinc/30/97/02/489309702.db2.gz HEYZHAONPYXTQZ-CQSZACIVSA-N 2 2 368.503 0.306 20 0 FCADLP COC(=O)C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126726 489318605 /nfs/dbraw/zinc/31/86/05/489318605.db2.gz RJSRTWYOYSFCAR-ZBFHGGJFSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126726 489318608 /nfs/dbraw/zinc/31/86/08/489318608.db2.gz RJSRTWYOYSFCAR-ZBFHGGJFSA-N 2 2 368.478 0.128 20 0 FCADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)CC1 ZINC000285859191 489327359 /nfs/dbraw/zinc/32/73/59/489327359.db2.gz IMDZRFSLCKTVLK-GFCCVEGCSA-N 2 2 365.865 0.812 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000370321766 489344840 /nfs/dbraw/zinc/34/48/40/489344840.db2.gz AWRZUQBLCKUHKG-XDNAFOTISA-N 2 2 352.523 0.723 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000370557653 489374410 /nfs/dbraw/zinc/37/44/10/489374410.db2.gz LJRKYZCEERCKNB-SQNIBIBYSA-N 2 2 368.522 0.897 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370598272 489380076 /nfs/dbraw/zinc/38/00/76/489380076.db2.gz RAABPQPNJWHDBG-OAHLLOKOSA-N 2 2 369.473 0.948 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000370598272 489380077 /nfs/dbraw/zinc/38/00/77/489380077.db2.gz RAABPQPNJWHDBG-OAHLLOKOSA-N 2 2 369.473 0.948 20 0 FCADLP NC(=O)CCN(C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000570579457 491251226 /nfs/dbraw/zinc/25/12/26/491251226.db2.gz USGSQLXIBYWGLO-UHFFFAOYSA-N 2 2 374.420 0.579 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000570590029 491251499 /nfs/dbraw/zinc/25/14/99/491251499.db2.gz YSMBRCCTBIWCHW-QGZVFWFLSA-N 2 2 360.458 0.909 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000362711164 489393955 /nfs/dbraw/zinc/39/39/55/489393955.db2.gz OBVCQKBDMOAHFK-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000362711164 489393959 /nfs/dbraw/zinc/39/39/59/489393959.db2.gz OBVCQKBDMOAHFK-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCNC(=O)c1ccco1 ZINC000299045709 489399108 /nfs/dbraw/zinc/39/91/08/489399108.db2.gz GUJBUVIPEOMTKI-UHFFFAOYSA-N 2 2 350.463 0.884 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCNC(=O)c1ccco1 ZINC000299045709 489399109 /nfs/dbraw/zinc/39/91/09/489399109.db2.gz GUJBUVIPEOMTKI-UHFFFAOYSA-N 2 2 350.463 0.884 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000286564615 489404776 /nfs/dbraw/zinc/40/47/76/489404776.db2.gz FPQIMIIBHOHKBR-CALCHBBNSA-N 2 2 367.453 0.627 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000286564615 489404779 /nfs/dbraw/zinc/40/47/79/489404779.db2.gz FPQIMIIBHOHKBR-CALCHBBNSA-N 2 2 367.453 0.627 20 0 FCADLP CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829592 489408400 /nfs/dbraw/zinc/40/84/00/489408400.db2.gz HMHKWEJTNHRZFH-GDBMZVCRSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829592 489408402 /nfs/dbraw/zinc/40/84/02/489408402.db2.gz HMHKWEJTNHRZFH-GDBMZVCRSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829594 489408489 /nfs/dbraw/zinc/40/84/89/489408489.db2.gz HMHKWEJTNHRZFH-HOCLYGCPSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829594 489408492 /nfs/dbraw/zinc/40/84/92/489408492.db2.gz HMHKWEJTNHRZFH-HOCLYGCPSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370841865 489410215 /nfs/dbraw/zinc/41/02/15/489410215.db2.gz OSUWWBMVCJHJCQ-GOSISDBHSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1cccc(-n2cnnn2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370841865 489410216 /nfs/dbraw/zinc/41/02/16/489410216.db2.gz OSUWWBMVCJHJCQ-GOSISDBHSA-N 2 2 369.473 0.903 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@]3(OC)CCOC3)CC2)CC1 ZINC000570624254 491253785 /nfs/dbraw/zinc/25/37/85/491253785.db2.gz MEVPWPCYCPXBAV-LJQANCHMSA-N 2 2 368.522 0.994 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@]3(OC)CCOC3)CC2)CC1 ZINC000570624254 491253787 /nfs/dbraw/zinc/25/37/87/491253787.db2.gz MEVPWPCYCPXBAV-LJQANCHMSA-N 2 2 368.522 0.994 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000299204523 489417500 /nfs/dbraw/zinc/41/75/00/489417500.db2.gz VCTXKTGVIDYBSG-UHFFFAOYSA-N 2 2 350.438 0.490 20 0 FCADLP CC[NH+](CC)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363581776 489481523 /nfs/dbraw/zinc/48/15/23/489481523.db2.gz KFTJIWAUHDAOQM-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000570698733 491259118 /nfs/dbraw/zinc/25/91/18/491259118.db2.gz WUKSPXURVRJZFS-INIZCTEOSA-N 2 2 371.445 0.400 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000570698733 491259120 /nfs/dbraw/zinc/25/91/20/491259120.db2.gz WUKSPXURVRJZFS-INIZCTEOSA-N 2 2 371.445 0.400 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201016 489501937 /nfs/dbraw/zinc/50/19/37/489501937.db2.gz GYVXYMGKWSTZKV-GDBMZVCRSA-N 3 2 354.520 0.929 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000423209273 489502529 /nfs/dbraw/zinc/50/25/29/489502529.db2.gz IVRILVBJINPFJM-LJQANCHMSA-N 2 2 360.458 0.877 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423239798 489506689 /nfs/dbraw/zinc/50/66/89/489506689.db2.gz BRVVFLUTSWIJKA-HZPDHXFCSA-N 2 2 374.485 0.548 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423252405 489507303 /nfs/dbraw/zinc/50/73/03/489507303.db2.gz UFHSWMYHAAPQTA-HOTGVXAUSA-N 2 2 374.485 0.535 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423255203 489507915 /nfs/dbraw/zinc/50/79/15/489507915.db2.gz BENMRNJCGXVHMK-GDBMZVCRSA-N 2 2 360.458 0.460 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H]1CC ZINC000423270965 489509817 /nfs/dbraw/zinc/50/98/17/489509817.db2.gz HFBUGROCIVUSOZ-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H]1CC ZINC000423270965 489509821 /nfs/dbraw/zinc/50/98/21/489509821.db2.gz HFBUGROCIVUSOZ-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423298109 489512865 /nfs/dbraw/zinc/51/28/65/489512865.db2.gz NEUYXDSSPWAMHF-AEFFLSMTSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423298109 489512866 /nfs/dbraw/zinc/51/28/66/489512866.db2.gz NEUYXDSSPWAMHF-AEFFLSMTSA-N 2 2 374.485 0.296 20 0 FCADLP [NH3+]C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000415193013 489513089 /nfs/dbraw/zinc/51/30/89/489513089.db2.gz WCRKZCIJFBARMJ-INIZCTEOSA-N 2 2 364.494 1.244 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000415189698 489513117 /nfs/dbraw/zinc/51/31/17/489513117.db2.gz QHEPIUNOJQXLAU-OAHLLOKOSA-N 2 2 350.467 0.727 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423303900 489513330 /nfs/dbraw/zinc/51/33/30/489513330.db2.gz NCJRZXUTPGTFIR-AWEZNQCLSA-N 2 2 357.462 0.790 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423303902 489513431 /nfs/dbraw/zinc/51/34/31/489513431.db2.gz NCJRZXUTPGTFIR-CQSZACIVSA-N 2 2 357.462 0.790 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)ccn2)CC1 ZINC000415413180 489517962 /nfs/dbraw/zinc/51/79/62/489517962.db2.gz IOJVWWQWDQCNML-HNNXBMFYSA-N 2 2 362.478 0.964 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[NH2+]1 ZINC000415430766 489520710 /nfs/dbraw/zinc/52/07/10/489520710.db2.gz JUMMOXGFFUZEJP-AWEZNQCLSA-N 2 2 362.499 0.994 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[C@H]1[NH3+] ZINC000415468263 489523893 /nfs/dbraw/zinc/52/38/93/489523893.db2.gz VPEOCUMABSRDFC-CRAIPNDOSA-N 2 2 373.501 0.568 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000415505328 489525787 /nfs/dbraw/zinc/52/57/87/489525787.db2.gz XTSMXBJOFRMZIT-AWEZNQCLSA-N 2 2 363.462 0.799 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415544088 489527757 /nfs/dbraw/zinc/52/77/57/489527757.db2.gz STCIDONZKHCBHC-DOTOQJQBSA-N 2 2 373.501 0.568 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH2+]C)cc2)CC1 ZINC000415549583 489528569 /nfs/dbraw/zinc/52/85/69/489528569.db2.gz TUNANBLDLRCYGG-UHFFFAOYSA-N 2 2 361.490 0.440 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CC1 ZINC000415687494 489541695 /nfs/dbraw/zinc/54/16/95/489541695.db2.gz ISNCHXORMCYFLG-FQEVSTJZSA-N 2 2 373.501 0.570 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000425907675 489547250 /nfs/dbraw/zinc/54/72/50/489547250.db2.gz DCHVPAAZJRAREM-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000425907675 489547253 /nfs/dbraw/zinc/54/72/53/489547253.db2.gz DCHVPAAZJRAREM-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426050237 489553542 /nfs/dbraw/zinc/55/35/42/489553542.db2.gz YVKSMFOERWKCPP-UHFFFAOYSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1)[NH+]1CCOCC1 ZINC000415818999 489555474 /nfs/dbraw/zinc/55/54/74/489555474.db2.gz XOXQYGYGYMEKSR-LESCRADOSA-N 2 2 372.469 0.839 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000415852671 489559029 /nfs/dbraw/zinc/55/90/29/489559029.db2.gz RIRCKLDJBHMANW-RDJZCZTQSA-N 2 2 374.485 0.901 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372218615 489560769 /nfs/dbraw/zinc/56/07/69/489560769.db2.gz ULZGYHGGLGSXRI-MRXNPFEDSA-N 2 2 365.478 0.093 20 0 FCADLP C[C@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[C@H](C)[NH+]1CCOCC1 ZINC000415958273 489566059 /nfs/dbraw/zinc/56/60/59/489566059.db2.gz WRGLIGQFRWAIIY-KBPBESRZSA-N 2 2 363.466 0.117 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000415953868 489566228 /nfs/dbraw/zinc/56/62/28/489566228.db2.gz NBOUPNUVJCNZAI-UHFFFAOYSA-N 2 2 371.445 0.829 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+]([C@@H]4CCOC4)CC3)nc[nH+]2)CC1=O ZINC000372348673 489574113 /nfs/dbraw/zinc/57/41/13/489574113.db2.gz QIALZQRKSMINAX-OAHLLOKOSA-N 2 2 360.462 0.420 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+]([C@@H]4CCOC4)CC3)[nH+]cn2)CC1=O ZINC000372348673 489574116 /nfs/dbraw/zinc/57/41/16/489574116.db2.gz QIALZQRKSMINAX-OAHLLOKOSA-N 2 2 360.462 0.420 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000570786189 491264533 /nfs/dbraw/zinc/26/45/33/491264533.db2.gz SEVBCVUVTIWJOP-LZWOXQAQSA-N 2 2 355.442 0.835 20 0 FCADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555670617 491264594 /nfs/dbraw/zinc/26/45/94/491264594.db2.gz RWFGCZZFGASABL-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372419207 489582263 /nfs/dbraw/zinc/58/22/63/489582263.db2.gz BMVIJXFZIPZHDN-HNNXBMFYSA-N 2 2 371.489 0.813 20 0 FCADLP Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372419207 489582266 /nfs/dbraw/zinc/58/22/66/489582266.db2.gz BMVIJXFZIPZHDN-HNNXBMFYSA-N 2 2 371.489 0.813 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000372458135 489586409 /nfs/dbraw/zinc/58/64/09/489586409.db2.gz NILZLYMHGZSURO-LJQANCHMSA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000372458135 489586410 /nfs/dbraw/zinc/58/64/10/489586410.db2.gz NILZLYMHGZSURO-LJQANCHMSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427303737 489601671 /nfs/dbraw/zinc/60/16/71/489601671.db2.gz CTQNDVVDOQDNJZ-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCOCC1 ZINC000372575085 489601975 /nfs/dbraw/zinc/60/19/75/489601975.db2.gz VUQZHCKKYJPBJZ-PASDCYSWSA-N 2 2 353.507 0.992 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000427988310 489632057 /nfs/dbraw/zinc/63/20/57/489632057.db2.gz CTFMMNVDGYEFGS-UHFFFAOYSA-N 2 2 356.430 0.704 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416892502 489633169 /nfs/dbraw/zinc/63/31/69/489633169.db2.gz OUMYNBNWPLVTQZ-SFHVURJKSA-N 2 2 361.490 0.264 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000417005832 489637866 /nfs/dbraw/zinc/63/78/66/489637866.db2.gz YSMLHKBMUIQMCI-GOSISDBHSA-N 2 2 364.490 0.904 20 0 FCADLP C[NH+](C)CC(C)(C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000457202384 489640128 /nfs/dbraw/zinc/64/01/28/489640128.db2.gz HIUCNEOPFWHSHV-UHFFFAOYSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417298822 489646938 /nfs/dbraw/zinc/64/69/38/489646938.db2.gz QREOZEVKIUGZGQ-HNNXBMFYSA-N 2 2 350.463 0.934 20 0 FCADLP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417320363 489648144 /nfs/dbraw/zinc/64/81/44/489648144.db2.gz PWFLYKBCVSPRHY-HNNXBMFYSA-N 2 2 350.463 0.886 20 0 FCADLP [NH3+]C1(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000417370515 489650185 /nfs/dbraw/zinc/65/01/85/489650185.db2.gz SYJVZFQHOGJIAS-UHFFFAOYSA-N 2 2 360.462 0.301 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417371227 489650498 /nfs/dbraw/zinc/65/04/98/489650498.db2.gz VIZJKMPQIVKKRQ-HNNXBMFYSA-N 2 2 362.478 0.403 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457609522 489651609 /nfs/dbraw/zinc/65/16/09/489651609.db2.gz UEABTILFUMHWIN-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457609522 489651611 /nfs/dbraw/zinc/65/16/11/489651611.db2.gz UEABTILFUMHWIN-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000372963714 489656639 /nfs/dbraw/zinc/65/66/39/489656639.db2.gz FLRAJROWXOZIQX-OAHLLOKOSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000372963714 489656640 /nfs/dbraw/zinc/65/66/40/489656640.db2.gz FLRAJROWXOZIQX-OAHLLOKOSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000372963714 489656641 /nfs/dbraw/zinc/65/66/41/489656641.db2.gz FLRAJROWXOZIQX-OAHLLOKOSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000372963714 489656642 /nfs/dbraw/zinc/65/66/42/489656642.db2.gz FLRAJROWXOZIQX-OAHLLOKOSA-N 2 2 360.462 0.232 20 0 FCADLP [NH3+][C@@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000417623105 489660028 /nfs/dbraw/zinc/66/00/28/489660028.db2.gz JHQZAURJUQJYHX-KRWDZBQOSA-N 2 2 365.522 0.747 20 0 FCADLP CC(C)(C[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417632875 489660081 /nfs/dbraw/zinc/66/00/81/489660081.db2.gz SYTAYRBUOBQUKW-UHFFFAOYSA-N 2 2 353.511 0.747 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417830004 489667568 /nfs/dbraw/zinc/66/75/68/489667568.db2.gz ATENHCRCGHCOFV-KRWDZBQOSA-N 2 2 356.474 0.829 20 0 FCADLP C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428947453 489668531 /nfs/dbraw/zinc/66/85/31/489668531.db2.gz OQXLYZQRCCARMR-CQSZACIVSA-N 2 2 370.519 0.989 20 0 FCADLP C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428947453 489668534 /nfs/dbraw/zinc/66/85/34/489668534.db2.gz OQXLYZQRCCARMR-CQSZACIVSA-N 2 2 370.519 0.989 20 0 FCADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022709 489671099 /nfs/dbraw/zinc/67/10/99/489671099.db2.gz UDXXHMHCCIPVME-SQNIBIBYSA-N 2 2 366.550 0.876 20 0 FCADLP C[C@H]1C[C@@H]1[N@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022709 489671102 /nfs/dbraw/zinc/67/11/02/489671102.db2.gz UDXXHMHCCIPVME-SQNIBIBYSA-N 2 2 366.550 0.876 20 0 FCADLP CCOC[C@@H](O)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000563806427 491270183 /nfs/dbraw/zinc/27/01/83/491270183.db2.gz VMFRTKUBYWITRY-INIZCTEOSA-N 2 2 371.503 0.110 20 0 FCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956971 489673326 /nfs/dbraw/zinc/67/33/26/489673326.db2.gz TZWSUEBNYPQJBS-HZPDHXFCSA-N 2 2 370.881 0.674 20 0 FCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956971 489673328 /nfs/dbraw/zinc/67/33/28/489673328.db2.gz TZWSUEBNYPQJBS-HZPDHXFCSA-N 2 2 370.881 0.674 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373148503 489673767 /nfs/dbraw/zinc/67/37/67/489673767.db2.gz WUYNTDQWICMTIK-OAHLLOKOSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373148503 489673770 /nfs/dbraw/zinc/67/37/70/489673770.db2.gz WUYNTDQWICMTIK-OAHLLOKOSA-N 2 2 363.437 0.786 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418292937 489689570 /nfs/dbraw/zinc/68/95/70/489689570.db2.gz DFWVMBZAKXGMAH-CQSZACIVSA-N 2 2 351.495 0.642 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000418315329 489690826 /nfs/dbraw/zinc/69/08/26/489690826.db2.gz UVHUXHBLRKLGIS-HOTGVXAUSA-N 2 2 353.511 0.570 20 0 FCADLP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000418304679 489691105 /nfs/dbraw/zinc/69/11/05/489691105.db2.gz YKXQHXQKQFIQFO-QGZVFWFLSA-N 3 2 366.554 0.092 20 0 FCADLP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000418304679 489691109 /nfs/dbraw/zinc/69/11/09/489691109.db2.gz YKXQHXQKQFIQFO-QGZVFWFLSA-N 3 2 366.554 0.092 20 0 FCADLP C[N@H+](CCCNC(=O)C1CCC1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000429551238 489691620 /nfs/dbraw/zinc/69/16/20/489691620.db2.gz DMVOPRRNKZQKQG-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP C[N@@H+](CCCNC(=O)C1CCC1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000429551238 489691626 /nfs/dbraw/zinc/69/16/26/489691626.db2.gz DMVOPRRNKZQKQG-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC([NH3+])CC3)CC2)C1 ZINC000429701768 489697757 /nfs/dbraw/zinc/69/77/57/489697757.db2.gz XCMVGJSUIGLIRP-HNNXBMFYSA-N 2 2 350.507 0.907 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)N[C@@H](C)C[NH3+])CC2)cc(OC)c1OC ZINC000418620292 489711402 /nfs/dbraw/zinc/71/14/02/489711402.db2.gz QHIWWNGKWGFKFJ-ZDUSSCGKSA-N 2 2 366.462 0.887 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000375348951 489714241 /nfs/dbraw/zinc/71/42/41/489714241.db2.gz VEOYUBCLSLKLQO-OGHNNQOOSA-N 2 2 371.445 1.233 20 0 FCADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000418656500 489716270 /nfs/dbraw/zinc/71/62/70/489716270.db2.gz SNCLRAHLZATQOY-SJLPKXTDSA-N 2 2 364.490 0.583 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418714178 489719484 /nfs/dbraw/zinc/71/94/84/489719484.db2.gz AJVKKXVFORSUAC-IKGGRYGDSA-N 2 2 365.522 0.842 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000418732741 489720549 /nfs/dbraw/zinc/72/05/49/489720549.db2.gz UUGULLYULGAHNS-CVEARBPZSA-N 2 2 351.495 0.454 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570929330 491274145 /nfs/dbraw/zinc/27/41/45/491274145.db2.gz DKXZAZVKABEQAZ-HNNXBMFYSA-N 2 2 370.457 0.587 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570929330 491274149 /nfs/dbraw/zinc/27/41/49/491274149.db2.gz DKXZAZVKABEQAZ-HNNXBMFYSA-N 2 2 370.457 0.587 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn21 ZINC000418785702 489726883 /nfs/dbraw/zinc/72/68/83/489726883.db2.gz DKZPOLYWPMVPTK-NUEKZKHPSA-N 2 2 355.442 0.845 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000376036684 489729842 /nfs/dbraw/zinc/72/98/42/489729842.db2.gz ZGLMAHUSYYCMJZ-CABCVRRESA-N 2 2 364.494 1.381 20 0 FCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489821772 489730131 /nfs/dbraw/zinc/73/01/31/489730131.db2.gz AORKBBXCGAJVTR-KZNAEPCWSA-N 2 2 352.523 0.677 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCc1c(F)cccc1F ZINC000489882981 489733527 /nfs/dbraw/zinc/73/35/27/489733527.db2.gz JFDIKXCMJHSKJE-AWEZNQCLSA-N 2 2 352.429 0.603 20 0 FCADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489939779 489736689 /nfs/dbraw/zinc/73/66/89/489736689.db2.gz DWGZJZKXZBRDFS-MRXNPFEDSA-N 2 2 364.465 0.642 20 0 FCADLP Cc1cccc(N2CCN(C(=O)C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)CC2)c1 ZINC000489956766 489737715 /nfs/dbraw/zinc/73/77/15/489737715.db2.gz NGQNDHCEYFNSOB-FQEVSTJZSA-N 2 2 371.529 0.623 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489959965 489737962 /nfs/dbraw/zinc/73/79/62/489737962.db2.gz WTZJHDQWRZOPPP-HOCLYGCPSA-N 2 2 360.458 0.764 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418822536 489738917 /nfs/dbraw/zinc/73/89/17/489738917.db2.gz AVJNBNRQXKPPNL-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418822536 489738918 /nfs/dbraw/zinc/73/89/18/489738918.db2.gz AVJNBNRQXKPPNL-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000418832675 489744460 /nfs/dbraw/zinc/74/44/60/489744460.db2.gz MGUUFKQAUUVAMF-INIZCTEOSA-N 2 2 360.458 0.001 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000418832675 489744463 /nfs/dbraw/zinc/74/44/63/489744463.db2.gz MGUUFKQAUUVAMF-INIZCTEOSA-N 2 2 360.458 0.001 20 0 FCADLP [NH3+]C[C@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000430564132 489746375 /nfs/dbraw/zinc/74/63/75/489746375.db2.gz ASHLGKKIMAMMRQ-GOSISDBHSA-N 2 2 358.486 0.689 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418835530 489746719 /nfs/dbraw/zinc/74/67/19/489746719.db2.gz PWYJLPXFYXVHIV-QZTJIDSGSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418835530 489746722 /nfs/dbraw/zinc/74/67/22/489746722.db2.gz PWYJLPXFYXVHIV-QZTJIDSGSA-N 2 2 374.485 0.119 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564511 489747051 /nfs/dbraw/zinc/74/70/51/489747051.db2.gz BNTQJMSSTHTYRS-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564511 489747057 /nfs/dbraw/zinc/74/70/57/489747057.db2.gz BNTQJMSSTHTYRS-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000430568515 489747469 /nfs/dbraw/zinc/74/74/69/489747469.db2.gz CUDWDQZUKPFDQX-HNNXBMFYSA-N 2 2 350.463 0.869 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000430568515 489747473 /nfs/dbraw/zinc/74/74/73/489747473.db2.gz CUDWDQZUKPFDQX-HNNXBMFYSA-N 2 2 350.463 0.869 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c1C ZINC000430584340 489748437 /nfs/dbraw/zinc/74/84/37/489748437.db2.gz PCULBDLSXQJPMF-INIZCTEOSA-N 2 2 354.476 0.606 20 0 FCADLP O=S(=O)(c1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1)N1CCOCC1 ZINC000430604598 489750972 /nfs/dbraw/zinc/75/09/72/489750972.db2.gz OAVPWLSLCNNWOQ-UHFFFAOYSA-N 2 2 369.487 0.382 20 0 FCADLP O=S(=O)(c1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1)N1CCOCC1 ZINC000430604598 489750977 /nfs/dbraw/zinc/75/09/77/489750977.db2.gz OAVPWLSLCNNWOQ-UHFFFAOYSA-N 2 2 369.487 0.382 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430609378 489752192 /nfs/dbraw/zinc/75/21/92/489752192.db2.gz HJCMEWBQOQJPTD-OLZOCXBDSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430609378 489752195 /nfs/dbraw/zinc/75/21/95/489752195.db2.gz HJCMEWBQOQJPTD-OLZOCXBDSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000418846258 489753194 /nfs/dbraw/zinc/75/31/94/489753194.db2.gz QWOMFTMUSWZFOB-GDBMZVCRSA-N 2 2 355.442 0.932 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000418847153 489754284 /nfs/dbraw/zinc/75/42/84/489754284.db2.gz IUUDQJALAAWUPV-HNNXBMFYSA-N 2 2 362.474 0.625 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000430617704 489754992 /nfs/dbraw/zinc/75/49/92/489754992.db2.gz OKYKFGWERBUSBA-LLVKDONJSA-N 2 2 374.894 0.952 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000430617704 489754994 /nfs/dbraw/zinc/75/49/94/489754994.db2.gz OKYKFGWERBUSBA-LLVKDONJSA-N 2 2 374.894 0.952 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000430621040 489756407 /nfs/dbraw/zinc/75/64/07/489756407.db2.gz JAHLSFYTHMAZGL-FUHWJXTLSA-N 2 2 374.485 0.386 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+](C)C ZINC000418852822 489757568 /nfs/dbraw/zinc/75/75/68/489757568.db2.gz RJMZTLWQHPNTMJ-FMKPAKJESA-N 2 2 362.474 0.623 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430624759 489758136 /nfs/dbraw/zinc/75/81/36/489758136.db2.gz PNAIRDDABJOWTD-UONOGXRCSA-N 2 2 350.438 0.755 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430624759 489758138 /nfs/dbraw/zinc/75/81/38/489758138.db2.gz PNAIRDDABJOWTD-UONOGXRCSA-N 2 2 350.438 0.755 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000555854218 491277101 /nfs/dbraw/zinc/27/71/01/491277101.db2.gz VJSLRPACRVJLCP-MRXNPFEDSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000555854218 491277102 /nfs/dbraw/zinc/27/71/02/491277102.db2.gz VJSLRPACRVJLCP-MRXNPFEDSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643293 489762243 /nfs/dbraw/zinc/76/22/43/489762243.db2.gz WYFHDVYZWVDZCN-HNNXBMFYSA-N 2 2 362.478 0.119 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643293 489762246 /nfs/dbraw/zinc/76/22/46/489762246.db2.gz WYFHDVYZWVDZCN-HNNXBMFYSA-N 2 2 362.478 0.119 20 0 FCADLP C[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430663036 489764121 /nfs/dbraw/zinc/76/41/21/489764121.db2.gz JEQMZCCWEFWOFF-UHFFFAOYSA-N 2 2 372.513 0.978 20 0 FCADLP C[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430663036 489764123 /nfs/dbraw/zinc/76/41/23/489764123.db2.gz JEQMZCCWEFWOFF-UHFFFAOYSA-N 2 2 372.513 0.978 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000570969680 491277366 /nfs/dbraw/zinc/27/73/66/491277366.db2.gz HOWCVQWGCHENOS-XJKSGUPXSA-N 2 2 366.487 0.559 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706399 489765357 /nfs/dbraw/zinc/76/53/57/489765357.db2.gz USVSZDMDAZRDMV-QAETUUGQSA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000555857303 491277412 /nfs/dbraw/zinc/27/74/12/491277412.db2.gz HADPVZJDOAKQMW-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430725347 489767268 /nfs/dbraw/zinc/76/72/68/489767268.db2.gz QQBURYIJYDJAQJ-QGZVFWFLSA-N 2 2 350.507 0.969 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000418873200 489768877 /nfs/dbraw/zinc/76/88/77/489768877.db2.gz HVLKNHJKTRJGIQ-IUODEOHRSA-N 2 2 352.866 0.879 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)CC2)c1 ZINC000459853612 489769196 /nfs/dbraw/zinc/76/91/96/489769196.db2.gz FTPMGAWRPJFJKU-MOPGFXCFSA-N 2 2 370.497 0.802 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)c1 ZINC000459853612 489769201 /nfs/dbraw/zinc/76/92/01/489769201.db2.gz FTPMGAWRPJFJKU-MOPGFXCFSA-N 2 2 370.497 0.802 20 0 FCADLP CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474569909 489770370 /nfs/dbraw/zinc/77/03/70/489770370.db2.gz HNXGEEAILFSLKM-JKSUJKDBSA-N 2 2 364.494 0.909 20 0 FCADLP CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474569909 489770374 /nfs/dbraw/zinc/77/03/74/489770374.db2.gz HNXGEEAILFSLKM-JKSUJKDBSA-N 2 2 364.494 0.909 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000418879997 489772234 /nfs/dbraw/zinc/77/22/34/489772234.db2.gz UUAXFYVTSZYHCL-WFASDCNBSA-N 2 2 368.865 0.245 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418884808 489774560 /nfs/dbraw/zinc/77/45/60/489774560.db2.gz GWBOKNZDUPGIMH-PBHICJAKSA-N 2 2 355.442 0.671 20 0 FCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000430927956 489778458 /nfs/dbraw/zinc/77/84/58/489778458.db2.gz JYFSCHBBAZGXII-NSHDSACASA-N 2 2 359.409 0.898 20 0 FCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000430927956 489778463 /nfs/dbraw/zinc/77/84/63/489778463.db2.gz JYFSCHBBAZGXII-NSHDSACASA-N 2 2 359.409 0.898 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430939909 489779258 /nfs/dbraw/zinc/77/92/58/489779258.db2.gz MWAMHSANCHPMCL-CHWSQXEVSA-N 2 2 366.487 0.153 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430939909 489779264 /nfs/dbraw/zinc/77/92/64/489779264.db2.gz MWAMHSANCHPMCL-CHWSQXEVSA-N 2 2 366.487 0.153 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000376705538 489779671 /nfs/dbraw/zinc/77/96/71/489779671.db2.gz FOZHHGFLPUKADV-IKGGRYGDSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000376705538 489779674 /nfs/dbraw/zinc/77/96/74/489779674.db2.gz FOZHHGFLPUKADV-IKGGRYGDSA-N 3 2 367.538 0.251 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934552 489779721 /nfs/dbraw/zinc/77/97/21/489779721.db2.gz NBJCXFRAXAYDFX-MCIONIFRSA-N 2 2 368.503 0.441 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934552 489779724 /nfs/dbraw/zinc/77/97/24/489779724.db2.gz NBJCXFRAXAYDFX-MCIONIFRSA-N 2 2 368.503 0.441 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000430943264 489780684 /nfs/dbraw/zinc/78/06/84/489780684.db2.gz OKYKFGWERBUSBA-NSHDSACASA-N 2 2 374.894 0.952 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000430943264 489780685 /nfs/dbraw/zinc/78/06/85/489780685.db2.gz OKYKFGWERBUSBA-NSHDSACASA-N 2 2 374.894 0.952 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418899887 489780998 /nfs/dbraw/zinc/78/09/98/489780998.db2.gz JEMIZLXODBACGI-PBHICJAKSA-N 2 2 355.442 0.662 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952306 489781080 /nfs/dbraw/zinc/78/10/80/489781080.db2.gz PGNVVJOYTFEVCP-KBPBESRZSA-N 2 2 368.503 0.805 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952306 489781087 /nfs/dbraw/zinc/78/10/87/489781087.db2.gz PGNVVJOYTFEVCP-KBPBESRZSA-N 2 2 368.503 0.805 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000430965091 489781697 /nfs/dbraw/zinc/78/16/97/489781697.db2.gz KBJFBERZJAKLRP-SWLSCSKDSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000430965091 489781700 /nfs/dbraw/zinc/78/17/00/489781700.db2.gz KBJFBERZJAKLRP-SWLSCSKDSA-N 2 2 354.476 0.545 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000459886512 489782068 /nfs/dbraw/zinc/78/20/68/489782068.db2.gz OFNMXVLJSYDHED-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000459886512 489782073 /nfs/dbraw/zinc/78/20/73/489782073.db2.gz OFNMXVLJSYDHED-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP C[NH2+]C1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000430965848 489782443 /nfs/dbraw/zinc/78/24/43/489782443.db2.gz MVPPZUXWYOVDCT-UHFFFAOYSA-N 2 2 372.513 0.950 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000430965089 489782539 /nfs/dbraw/zinc/78/25/39/489782539.db2.gz KBJFBERZJAKLRP-DOMZBBRYSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000430965089 489782544 /nfs/dbraw/zinc/78/25/44/489782544.db2.gz KBJFBERZJAKLRP-DOMZBBRYSA-N 2 2 354.476 0.545 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418902383 489783042 /nfs/dbraw/zinc/78/30/42/489783042.db2.gz AEVIVDHKIOIKFM-QGZVFWFLSA-N 2 2 360.458 0.003 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431075928 489787524 /nfs/dbraw/zinc/78/75/24/489787524.db2.gz HXPYVKVWVBWTMU-ZDUSSCGKSA-N 2 2 350.467 0.392 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000459914618 489789361 /nfs/dbraw/zinc/78/93/61/489789361.db2.gz FNPLHDPGZPLXGN-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418915681 489789594 /nfs/dbraw/zinc/78/95/94/489789594.db2.gz QKPDEFLGTFICHV-KRWDZBQOSA-N 2 2 360.458 0.085 20 0 FCADLP CN(C)c1nc(N2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)cc[nH+]1 ZINC000431122375 489789767 /nfs/dbraw/zinc/78/97/67/489789767.db2.gz ZPJBKPKNVZQBFD-LBPRGKRZSA-N 2 2 363.384 0.604 20 0 FCADLP CN1CCO[C@H]([C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950942 491278929 /nfs/dbraw/zinc/27/89/29/491278929.db2.gz AQCXCUUAXSIZLF-FUHWJXTLSA-N 2 2 366.893 0.733 20 0 FCADLP C[N@H+]1CCO[C@H]([C@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950942 491278932 /nfs/dbraw/zinc/27/89/32/491278932.db2.gz AQCXCUUAXSIZLF-FUHWJXTLSA-N 2 2 366.893 0.733 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000459918023 489792075 /nfs/dbraw/zinc/79/20/75/489792075.db2.gz RJEWLYMTZSKUJA-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000459918597 489793282 /nfs/dbraw/zinc/79/32/82/489793282.db2.gz JHPTYHHXPSAFLB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000459918597 489793285 /nfs/dbraw/zinc/79/32/85/489793285.db2.gz JHPTYHHXPSAFLB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000459918597 489793287 /nfs/dbraw/zinc/79/32/87/489793287.db2.gz JHPTYHHXPSAFLB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000459918597 489793291 /nfs/dbraw/zinc/79/32/91/489793291.db2.gz JHPTYHHXPSAFLB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418934135 489795933 /nfs/dbraw/zinc/79/59/33/489795933.db2.gz BPNCNZAFFSSZNB-CQSZACIVSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418934135 489795935 /nfs/dbraw/zinc/79/59/35/489795935.db2.gz BPNCNZAFFSSZNB-CQSZACIVSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418935855 489796472 /nfs/dbraw/zinc/79/64/72/489796472.db2.gz DJAWKGKWFCVSEO-CYBMUJFWSA-N 2 2 350.488 0.338 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418935855 489796476 /nfs/dbraw/zinc/79/64/76/489796476.db2.gz DJAWKGKWFCVSEO-CYBMUJFWSA-N 2 2 350.488 0.338 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000418937801 489796881 /nfs/dbraw/zinc/79/68/81/489796881.db2.gz GHVCHDYNMIKRLA-UHFFFAOYSA-N 2 2 350.488 0.420 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000418937801 489796885 /nfs/dbraw/zinc/79/68/85/489796885.db2.gz GHVCHDYNMIKRLA-UHFFFAOYSA-N 2 2 350.488 0.420 20 0 FCADLP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)CCO1 ZINC000459931317 489798441 /nfs/dbraw/zinc/79/84/41/489798441.db2.gz ISUWRDQPTNRLPR-HNNXBMFYSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)CCO1 ZINC000459931317 489798443 /nfs/dbraw/zinc/79/84/43/489798443.db2.gz ISUWRDQPTNRLPR-HNNXBMFYSA-N 2 2 364.490 0.005 20 0 FCADLP COCCOc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000491284931 489798942 /nfs/dbraw/zinc/79/89/42/489798942.db2.gz QYEYBLPFLUWZBM-MRXNPFEDSA-N 2 2 363.458 0.920 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418952385 489802903 /nfs/dbraw/zinc/80/29/03/489802903.db2.gz YGHXHIOOJQPQJZ-QGZVFWFLSA-N 2 2 350.488 0.420 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418952385 489802905 /nfs/dbraw/zinc/80/29/05/489802905.db2.gz YGHXHIOOJQPQJZ-QGZVFWFLSA-N 2 2 350.488 0.420 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000459983074 489809782 /nfs/dbraw/zinc/80/97/82/489809782.db2.gz FMTNCMOJKPLAJV-HUUCEWRRSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000459983074 489809786 /nfs/dbraw/zinc/80/97/86/489809786.db2.gz FMTNCMOJKPLAJV-HUUCEWRRSA-N 2 2 354.495 0.107 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000491609989 489810108 /nfs/dbraw/zinc/81/01/08/489810108.db2.gz MUCNDVMJGMFUSX-UHFFFAOYSA-N 2 2 353.386 0.951 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000459991470 489810731 /nfs/dbraw/zinc/81/07/31/489810731.db2.gz ONOWXIMXRLMBTB-CQSZACIVSA-N 2 2 356.536 0.435 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000459991470 489810738 /nfs/dbraw/zinc/81/07/38/489810738.db2.gz ONOWXIMXRLMBTB-CQSZACIVSA-N 2 2 356.536 0.435 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000459995583 489813233 /nfs/dbraw/zinc/81/32/33/489813233.db2.gz YSKFFPHZXZPMAM-WBVHZDCISA-N 2 2 368.522 0.090 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000459995583 489813237 /nfs/dbraw/zinc/81/32/37/489813237.db2.gz YSKFFPHZXZPMAM-WBVHZDCISA-N 2 2 368.522 0.090 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419005871 489815437 /nfs/dbraw/zinc/81/54/37/489815437.db2.gz VZQLURWJWKGJJU-OWCLPIDISA-N 2 2 369.469 0.965 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000460011482 489816795 /nfs/dbraw/zinc/81/67/95/489816795.db2.gz IOVWZAMVXTYMNA-KRWDZBQOSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000376931475 489820921 /nfs/dbraw/zinc/82/09/21/489820921.db2.gz NGSIOKXQDVUBAV-INIZCTEOSA-N 2 2 365.522 0.666 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419025726 489822850 /nfs/dbraw/zinc/82/28/50/489822850.db2.gz MSLSMISYDKBONP-CJNGLKHVSA-N 2 2 357.389 0.448 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000419029735 489824775 /nfs/dbraw/zinc/82/47/75/489824775.db2.gz RXZOPBZOIUVYIF-OCCSQVGLSA-N 2 2 359.405 0.823 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1F ZINC000419034486 489827112 /nfs/dbraw/zinc/82/71/12/489827112.db2.gz ZTFOAHMHQQYGAG-GFCCVEGCSA-N 2 2 359.405 0.756 20 0 FCADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@H]12 ZINC000419039199 489828907 /nfs/dbraw/zinc/82/89/07/489828907.db2.gz KWPIEDCZNVJJJQ-BHYGNILZSA-N 2 2 353.426 0.684 20 0 FCADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@H]12 ZINC000419039205 489829576 /nfs/dbraw/zinc/82/95/76/489829576.db2.gz KWPIEDCZNVJJJQ-HYVNUMGLSA-N 2 2 353.426 0.684 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000563985558 491281673 /nfs/dbraw/zinc/28/16/73/491281673.db2.gz FMYOVJYSROBPKM-HUUCEWRRSA-N 2 2 365.478 0.290 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000563985558 491281675 /nfs/dbraw/zinc/28/16/75/491281675.db2.gz FMYOVJYSROBPKM-HUUCEWRRSA-N 2 2 365.478 0.290 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CC[NH3+])[nH+]c12 ZINC000419044170 489832210 /nfs/dbraw/zinc/83/22/10/489832210.db2.gz PHWCWJDUTJGDPJ-UHFFFAOYSA-N 2 2 368.235 0.439 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377010055 489834555 /nfs/dbraw/zinc/83/45/55/489834555.db2.gz PBYHMHVAOSVFKP-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC000419055461 489837371 /nfs/dbraw/zinc/83/73/71/489837371.db2.gz BCQGHPUJSLHEPK-ZENOOKHLSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2)CCO1 ZINC000419066479 489843056 /nfs/dbraw/zinc/84/30/56/489843056.db2.gz FALZOZBRURCDDZ-JKSUJKDBSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2)CCO1 ZINC000419066479 489843059 /nfs/dbraw/zinc/84/30/59/489843059.db2.gz FALZOZBRURCDDZ-JKSUJKDBSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC[NH2+]1 ZINC000419070490 489844504 /nfs/dbraw/zinc/84/45/04/489844504.db2.gz HJQZWUZIVWZROV-IUODEOHRSA-N 2 2 359.405 0.585 20 0 FCADLP O=C(C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460077428 489844794 /nfs/dbraw/zinc/84/47/94/489844794.db2.gz PWAVXJZMMCYARJ-MRXNPFEDSA-N 2 2 374.489 0.141 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000460079899 489846464 /nfs/dbraw/zinc/84/64/64/489846464.db2.gz PSTXBOYNZQMQJK-HOTGVXAUSA-N 2 2 374.489 0.312 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000460079899 489846468 /nfs/dbraw/zinc/84/64/68/489846468.db2.gz PSTXBOYNZQMQJK-HOTGVXAUSA-N 2 2 374.489 0.312 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000419076176 489847299 /nfs/dbraw/zinc/84/72/99/489847299.db2.gz NUIFNBMPHPGANW-IOASZLSFSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@@H](C)[NH2+]1 ZINC000419085257 489850247 /nfs/dbraw/zinc/85/02/47/489850247.db2.gz VNGONSVVBRTJKY-IOASZLSFSA-N 2 2 373.432 0.974 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000460165726 489854036 /nfs/dbraw/zinc/85/40/36/489854036.db2.gz OGHJHYBRFWFKIU-SFHVURJKSA-N 2 2 369.554 0.766 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000460221901 489855631 /nfs/dbraw/zinc/85/56/31/489855631.db2.gz QBZQQDNRSUATOH-UHFFFAOYSA-N 2 2 367.538 0.328 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000460221901 489855635 /nfs/dbraw/zinc/85/56/35/489855635.db2.gz QBZQQDNRSUATOH-UHFFFAOYSA-N 2 2 367.538 0.328 20 0 FCADLP CC(=O)C1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000555922062 491283481 /nfs/dbraw/zinc/28/34/81/491283481.db2.gz MOSRNVDOVRAKKU-UHFFFAOYSA-N 2 2 364.490 0.052 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1c(F)cccc1F ZINC000460262021 489859706 /nfs/dbraw/zinc/85/97/06/489859706.db2.gz LKGYFYGGHUPATE-YOEHRIQHSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1c(F)cccc1F ZINC000460262021 489859709 /nfs/dbraw/zinc/85/97/09/489859709.db2.gz LKGYFYGGHUPATE-YOEHRIQHSA-N 2 2 356.417 0.933 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000419116946 489862855 /nfs/dbraw/zinc/86/28/55/489862855.db2.gz LWGZBADGJDIHEN-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]1 ZINC000419118002 489863683 /nfs/dbraw/zinc/86/36/83/489863683.db2.gz NCEFBLPXDLXHHM-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000419119831 489864047 /nfs/dbraw/zinc/86/40/47/489864047.db2.gz PJWFZIIXBQPNRF-HOCLYGCPSA-N 2 2 359.474 0.741 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119840 489864118 /nfs/dbraw/zinc/86/41/18/489864118.db2.gz PKXJGFCUILLROH-VQIMIIECSA-N 2 2 368.522 0.355 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000476044888 489865056 /nfs/dbraw/zinc/86/50/56/489865056.db2.gz YCLLFEIETOXZLZ-KRWDZBQOSA-N 2 2 355.527 0.421 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000476044888 489865059 /nfs/dbraw/zinc/86/50/59/489865059.db2.gz YCLLFEIETOXZLZ-KRWDZBQOSA-N 2 2 355.527 0.421 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419122392 489865883 /nfs/dbraw/zinc/86/58/83/489865883.db2.gz TXNVTPJCMDWOMM-XHSDSOJGSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419122362 489866438 /nfs/dbraw/zinc/86/64/38/489866438.db2.gz TVCNWQFBDCKGJF-HOTGVXAUSA-N 2 2 356.511 0.291 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000419122775 489867201 /nfs/dbraw/zinc/86/72/01/489867201.db2.gz UQBFIKRLKSGVPQ-ARFHVFGLSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)[NH+]1CCOCC1 ZINC000419122778 489867514 /nfs/dbraw/zinc/86/75/14/489867514.db2.gz UQBFIKRLKSGVPQ-XHSDSOJGSA-N 2 2 354.495 0.045 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419124609 489868331 /nfs/dbraw/zinc/86/83/31/489868331.db2.gz YAABYNNZLBWGHY-UHFFFAOYSA-N 2 2 355.389 0.398 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419125077 489868573 /nfs/dbraw/zinc/86/85/73/489868573.db2.gz YVVUGSTVCQOHAG-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419125366 489868833 /nfs/dbraw/zinc/86/88/33/489868833.db2.gz ZQBOAZJMIJNUQT-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OC[C@H](CO)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000433338243 489876862 /nfs/dbraw/zinc/87/68/62/489876862.db2.gz VEAJEYQHMDVVML-SFHVURJKSA-N 2 2 370.538 0.972 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000420012593 489880805 /nfs/dbraw/zinc/88/08/05/489880805.db2.gz BHJBLVDSAJLTHD-KFWWJZLASA-N 2 2 362.478 0.249 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420016526 489881320 /nfs/dbraw/zinc/88/13/20/489881320.db2.gz MYNPSZUHXUGCLV-ROUUACIJSA-N 2 2 358.486 0.965 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420016525 489881428 /nfs/dbraw/zinc/88/14/28/489881428.db2.gz MYNPSZUHXUGCLV-QZTJIDSGSA-N 2 2 358.486 0.965 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420020114 489882096 /nfs/dbraw/zinc/88/20/96/489882096.db2.gz RPNLTZIILOCIAN-WBVHZDCISA-N 3 2 367.538 0.105 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420020114 489882101 /nfs/dbraw/zinc/88/21/01/489882101.db2.gz RPNLTZIILOCIAN-WBVHZDCISA-N 3 2 367.538 0.105 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420023092 489884212 /nfs/dbraw/zinc/88/42/12/489884212.db2.gz WXDVOHKIKBYIMQ-JYJNAYRXSA-N 2 2 361.490 0.835 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000377322320 489884784 /nfs/dbraw/zinc/88/47/84/489884784.db2.gz JJKXNRQORBNDQO-UKPHBRMFSA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000377322320 489884786 /nfs/dbraw/zinc/88/47/86/489884786.db2.gz JJKXNRQORBNDQO-UKPHBRMFSA-N 2 2 362.478 0.721 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420030644 489886884 /nfs/dbraw/zinc/88/68/84/489886884.db2.gz GPBMBRQSRATMGQ-BPLDGKMQSA-N 2 2 362.430 0.291 20 0 FCADLP CCN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433483305 489889146 /nfs/dbraw/zinc/88/91/46/489889146.db2.gz DRKUFLKIJWLKEV-CABCVRRESA-N 2 2 362.478 0.025 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420037757 489889190 /nfs/dbraw/zinc/88/91/90/489889190.db2.gz HMOACRFEVYYVIZ-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000476460641 489891005 /nfs/dbraw/zinc/89/10/05/489891005.db2.gz PRFBDSPZQMFEBV-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000476490861 489893975 /nfs/dbraw/zinc/89/39/75/489893975.db2.gz ZECREZGYXHYBHT-MRXNPFEDSA-N 2 2 370.519 0.710 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000476503881 489894848 /nfs/dbraw/zinc/89/48/48/489894848.db2.gz DNGOEGKTTWQNKT-RBUKOAKNSA-N 2 2 372.513 0.818 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000476503881 489894854 /nfs/dbraw/zinc/89/48/54/489894854.db2.gz DNGOEGKTTWQNKT-RBUKOAKNSA-N 2 2 372.513 0.818 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119283 489896700 /nfs/dbraw/zinc/89/67/00/489896700.db2.gz VVUVPWMXCGPWAN-IRXDYDNUSA-N 2 2 368.522 0.579 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119283 489896704 /nfs/dbraw/zinc/89/67/04/489896704.db2.gz VVUVPWMXCGPWAN-IRXDYDNUSA-N 2 2 368.522 0.579 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000420065667 489899997 /nfs/dbraw/zinc/89/99/97/489899997.db2.gz PRRBVRVBSZQXSL-QPSCCSFWSA-N 2 2 363.462 0.522 20 0 FCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377441571 489904187 /nfs/dbraw/zinc/90/41/87/489904187.db2.gz IAEHJIHACHGFMR-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377441571 489904192 /nfs/dbraw/zinc/90/41/92/489904192.db2.gz IAEHJIHACHGFMR-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420105940 489913768 /nfs/dbraw/zinc/91/37/68/489913768.db2.gz RAAYZWSSCVAQNG-GOSISDBHSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420107689 489914660 /nfs/dbraw/zinc/91/46/60/489914660.db2.gz SYBUFOPPVVHJRW-JXFKEZNVSA-N 2 2 373.501 0.793 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420110367 489915664 /nfs/dbraw/zinc/91/56/64/489915664.db2.gz FQNOEXMBFUOGGS-LZLYRXPVSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420110367 489915670 /nfs/dbraw/zinc/91/56/70/489915670.db2.gz FQNOEXMBFUOGGS-LZLYRXPVSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420110268 489915720 /nfs/dbraw/zinc/91/57/20/489915720.db2.gz FGBTZXKTPUFPIQ-JFIYKMOQSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420110268 489915724 /nfs/dbraw/zinc/91/57/24/489915724.db2.gz FGBTZXKTPUFPIQ-JFIYKMOQSA-N 2 2 358.486 0.834 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCCOC)CC2)CCO1 ZINC000494878654 489917478 /nfs/dbraw/zinc/91/74/78/489917478.db2.gz PFMULMRERSZQTF-KRWDZBQOSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCCOC)CC2)CCO1 ZINC000494878654 489917482 /nfs/dbraw/zinc/91/74/82/489917482.db2.gz PFMULMRERSZQTF-KRWDZBQOSA-N 2 2 356.511 0.897 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000420130017 489922933 /nfs/dbraw/zinc/92/29/33/489922933.db2.gz VQNWMUONXXISEA-ZIAGYGMSSA-N 2 2 350.467 0.249 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000420137072 489925680 /nfs/dbraw/zinc/92/56/80/489925680.db2.gz WQPVWFFQLTWCEB-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@@H+]1CCOC ZINC000434462249 489930485 /nfs/dbraw/zinc/93/04/85/489930485.db2.gz CXSVGUPGPPJZCH-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@H+]1CCOC ZINC000434462249 489930490 /nfs/dbraw/zinc/93/04/90/489930490.db2.gz CXSVGUPGPPJZCH-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477026488 489932343 /nfs/dbraw/zinc/93/23/43/489932343.db2.gz RQNLDCFXMKCULA-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCCO3)CC2)CC1 ZINC000477024179 489932900 /nfs/dbraw/zinc/93/29/00/489932900.db2.gz AGWFMUNZWJWLDV-QGZVFWFLSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000564105676 491289201 /nfs/dbraw/zinc/28/92/01/491289201.db2.gz FLYXTQSFQFZOBT-CVEARBPZSA-N 2 2 363.462 0.149 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420163219 489937197 /nfs/dbraw/zinc/93/71/97/489937197.db2.gz FBAKQMZUNXIWBE-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420163219 489937199 /nfs/dbraw/zinc/93/71/99/489937199.db2.gz FBAKQMZUNXIWBE-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420162690 489937209 /nfs/dbraw/zinc/93/72/09/489937209.db2.gz YHBHNIUEJINVGZ-MRXNPFEDSA-N 2 2 362.474 0.324 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000420171713 489940116 /nfs/dbraw/zinc/94/01/16/489940116.db2.gz ULNGJAYIEMAMLY-CQSZACIVSA-N 2 2 354.495 0.108 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000420171713 489940119 /nfs/dbraw/zinc/94/01/19/489940119.db2.gz ULNGJAYIEMAMLY-CQSZACIVSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119090 491290052 /nfs/dbraw/zinc/29/00/52/491290052.db2.gz XJYHHPVJLXZEOH-JKSUJKDBSA-N 2 2 361.490 0.985 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119090 491290053 /nfs/dbraw/zinc/29/00/53/491290053.db2.gz XJYHHPVJLXZEOH-JKSUJKDBSA-N 2 2 361.490 0.985 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420188903 489946103 /nfs/dbraw/zinc/94/61/03/489946103.db2.gz TXQYXNPHVAPJML-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420188903 489946105 /nfs/dbraw/zinc/94/61/05/489946105.db2.gz TXQYXNPHVAPJML-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420196624 489948257 /nfs/dbraw/zinc/94/82/57/489948257.db2.gz AUTNKBFPJBRBGV-GUDVDZBRSA-N 2 2 370.497 0.835 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000564131098 491290487 /nfs/dbraw/zinc/29/04/87/491290487.db2.gz MFUOEXAXEBNARH-UHFFFAOYSA-N 2 2 357.418 0.524 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(C[NH+]2CCCC2)on1 ZINC000462067693 489954943 /nfs/dbraw/zinc/95/49/43/489954943.db2.gz NHQHFERHRFZQFD-UHFFFAOYSA-N 2 2 374.445 1.051 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420218196 489955693 /nfs/dbraw/zinc/95/56/93/489955693.db2.gz WBSJRNGNRUYWNE-IXDOHACOSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000420302327 489961232 /nfs/dbraw/zinc/96/12/32/489961232.db2.gz FSSMSLRALQMWEG-GOSISDBHSA-N 3 2 351.539 0.299 20 0 FCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000420302327 489961235 /nfs/dbraw/zinc/96/12/35/489961235.db2.gz FSSMSLRALQMWEG-GOSISDBHSA-N 3 2 351.539 0.299 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307334 489961500 /nfs/dbraw/zinc/96/15/00/489961500.db2.gz LVLAHSJHBABBNK-RYUDHWBXSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307334 489961504 /nfs/dbraw/zinc/96/15/04/489961504.db2.gz LVLAHSJHBABBNK-RYUDHWBXSA-N 2 2 363.414 0.867 20 0 FCADLP Cn1c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nc2ccccc2c1=O ZINC000420319557 489962517 /nfs/dbraw/zinc/96/25/17/489962517.db2.gz XSEZHTHQCLIEJT-AWEZNQCLSA-N 2 2 357.458 0.753 20 0 FCADLP Cn1c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nc2ccccc2c1=O ZINC000420319557 489962520 /nfs/dbraw/zinc/96/25/20/489962520.db2.gz XSEZHTHQCLIEJT-AWEZNQCLSA-N 2 2 357.458 0.753 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329216 489963770 /nfs/dbraw/zinc/96/37/70/489963770.db2.gz OBQDAUUOGUUMNP-SQWLQELKSA-N 2 2 355.479 0.378 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329216 489963771 /nfs/dbraw/zinc/96/37/71/489963771.db2.gz OBQDAUUOGUUMNP-SQWLQELKSA-N 2 2 355.479 0.378 20 0 FCADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347209 489965625 /nfs/dbraw/zinc/96/56/25/489965625.db2.gz FRULBUVUXIVYRK-OAHLLOKOSA-N 2 2 360.458 0.781 20 0 FCADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347209 489965628 /nfs/dbraw/zinc/96/56/28/489965628.db2.gz FRULBUVUXIVYRK-OAHLLOKOSA-N 2 2 360.458 0.781 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359924 489967704 /nfs/dbraw/zinc/96/77/04/489967704.db2.gz WJPWVARURRJKBV-KSSFIOAISA-N 2 2 351.447 0.523 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359924 489967707 /nfs/dbraw/zinc/96/77/07/489967707.db2.gz WJPWVARURRJKBV-KSSFIOAISA-N 2 2 351.447 0.523 20 0 FCADLP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420383145 489969453 /nfs/dbraw/zinc/96/94/53/489969453.db2.gz FERDZYCGJIGEBT-GDBMZVCRSA-N 2 2 365.474 0.801 20 0 FCADLP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420383145 489969457 /nfs/dbraw/zinc/96/94/57/489969457.db2.gz FERDZYCGJIGEBT-GDBMZVCRSA-N 2 2 365.474 0.801 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000420386935 489970598 /nfs/dbraw/zinc/97/05/98/489970598.db2.gz VJFCSUJPBJUAPA-NEPJUHHUSA-N 2 2 354.401 0.936 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000420386935 489970599 /nfs/dbraw/zinc/97/05/99/489970599.db2.gz VJFCSUJPBJUAPA-NEPJUHHUSA-N 2 2 354.401 0.936 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420396328 489971692 /nfs/dbraw/zinc/97/16/92/489971692.db2.gz VSGROFUZQAFQER-HOTGVXAUSA-N 2 2 362.474 0.479 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420396328 489971696 /nfs/dbraw/zinc/97/16/96/489971696.db2.gz VSGROFUZQAFQER-HOTGVXAUSA-N 2 2 362.474 0.479 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000420392351 489971763 /nfs/dbraw/zinc/97/17/63/489971763.db2.gz PJSDUKOERWEDNN-JQHSSLGASA-N 3 2 352.523 0.757 20 0 FCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000462383824 489972498 /nfs/dbraw/zinc/97/24/98/489972498.db2.gz JLXJWONYRKTEPZ-GOSISDBHSA-N 2 2 362.499 0.718 20 0 FCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000462383824 489972501 /nfs/dbraw/zinc/97/25/01/489972501.db2.gz JLXJWONYRKTEPZ-GOSISDBHSA-N 2 2 362.499 0.718 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000556070765 491292077 /nfs/dbraw/zinc/29/20/77/491292077.db2.gz LSSCAIJQOCJDDD-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000556070765 491292079 /nfs/dbraw/zinc/29/20/79/491292079.db2.gz LSSCAIJQOCJDDD-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420416284 489973176 /nfs/dbraw/zinc/97/31/76/489973176.db2.gz VRLIRGHMNWNNJL-LSDHHAIUSA-N 2 2 362.474 0.820 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420416284 489973180 /nfs/dbraw/zinc/97/31/80/489973180.db2.gz VRLIRGHMNWNNJL-LSDHHAIUSA-N 2 2 362.474 0.820 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420448829 489979155 /nfs/dbraw/zinc/97/91/55/489979155.db2.gz WZXPTSIYXWDVKX-HNNXBMFYSA-N 2 2 361.487 0.384 20 0 FCADLP Cc1n[nH]cc1S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420472049 489982851 /nfs/dbraw/zinc/98/28/51/489982851.db2.gz REFJQGJBBXMLDI-UHFFFAOYSA-N 2 2 363.487 0.990 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000556084276 491293329 /nfs/dbraw/zinc/29/33/29/491293329.db2.gz VGWNSOUHUBYSCG-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000556084276 491293331 /nfs/dbraw/zinc/29/33/31/491293331.db2.gz VGWNSOUHUBYSCG-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435386334 490000150 /nfs/dbraw/zinc/00/01/50/490000150.db2.gz WDMMFHZTHREHSR-UHFFFAOYSA-N 2 2 374.485 0.455 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435386334 490000152 /nfs/dbraw/zinc/00/01/52/490000152.db2.gz WDMMFHZTHREHSR-UHFFFAOYSA-N 2 2 374.485 0.455 20 0 FCADLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435383918 490000506 /nfs/dbraw/zinc/00/05/06/490000506.db2.gz JXXDVVVDXFUOHA-CQSZACIVSA-N 2 2 351.447 0.712 20 0 FCADLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435383918 490000509 /nfs/dbraw/zinc/00/05/09/490000509.db2.gz JXXDVVVDXFUOHA-CQSZACIVSA-N 2 2 351.447 0.712 20 0 FCADLP C[NH+](C)CCOC1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463421821 490016461 /nfs/dbraw/zinc/01/64/61/490016461.db2.gz NXVVZPICVWCPKR-UHFFFAOYSA-N 2 2 363.524 0.081 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000420810829 490024057 /nfs/dbraw/zinc/02/40/57/490024057.db2.gz DXHYJEUOZZQYHM-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000420810829 490024061 /nfs/dbraw/zinc/02/40/61/490024061.db2.gz DXHYJEUOZZQYHM-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420805246 490024128 /nfs/dbraw/zinc/02/41/28/490024128.db2.gz AOSXOAQOIYQLKO-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420805246 490024133 /nfs/dbraw/zinc/02/41/33/490024133.db2.gz AOSXOAQOIYQLKO-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(NCC[NH+]1CCCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438306869 490032648 /nfs/dbraw/zinc/03/26/48/490032648.db2.gz QQUYEQMBQJNOFU-UHFFFAOYSA-N 2 2 350.467 0.823 20 0 FCADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000420972680 490037285 /nfs/dbraw/zinc/03/72/85/490037285.db2.gz MGQNALRHIJFNAE-GOSISDBHSA-N 2 2 367.515 0.985 20 0 FCADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000420972680 490037286 /nfs/dbraw/zinc/03/72/86/490037286.db2.gz MGQNALRHIJFNAE-GOSISDBHSA-N 2 2 367.515 0.985 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000421206055 490055891 /nfs/dbraw/zinc/05/58/91/490055891.db2.gz HXYJLRNRSZBPFC-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000421206055 490055897 /nfs/dbraw/zinc/05/58/97/490055897.db2.gz HXYJLRNRSZBPFC-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421200219 490056138 /nfs/dbraw/zinc/05/61/38/490056138.db2.gz LUVRSJFZJUDZFA-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421200219 490056141 /nfs/dbraw/zinc/05/61/41/490056141.db2.gz LUVRSJFZJUDZFA-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@@H]3CCC[N@H+]3C[C@H]1C)CCC2 ZINC000564247764 491296398 /nfs/dbraw/zinc/29/63/98/491296398.db2.gz JJSWVEQXEDTMPQ-PMPSAXMXSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@@H]3CCC[N@@H+]3C[C@H]1C)CCC2 ZINC000564247764 491296402 /nfs/dbraw/zinc/29/64/02/491296402.db2.gz JJSWVEQXEDTMPQ-PMPSAXMXSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)CC2)c1 ZINC000564252609 491296673 /nfs/dbraw/zinc/29/66/73/491296673.db2.gz VSHZPMZXSUBHKL-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CO)[C@H](O)C3)CC2)c1 ZINC000564252609 491296675 /nfs/dbraw/zinc/29/66/75/491296675.db2.gz VSHZPMZXSUBHKL-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@H]3CCC[N@H+]3C[C@@H]1C)CCC2 ZINC000564247761 491296727 /nfs/dbraw/zinc/29/67/27/491296727.db2.gz JJSWVEQXEDTMPQ-HRCADAONSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@H]3CCC[N@@H+]3C[C@@H]1C)CCC2 ZINC000564247761 491296729 /nfs/dbraw/zinc/29/67/29/491296729.db2.gz JJSWVEQXEDTMPQ-HRCADAONSA-N 2 2 359.474 0.880 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)[C@H]2C1 ZINC000378502298 490074223 /nfs/dbraw/zinc/07/42/23/490074223.db2.gz VXVNNVYQIHGUHU-RYRKJORJSA-N 2 2 368.547 0.930 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)[C@H]2C1 ZINC000378502298 490074226 /nfs/dbraw/zinc/07/42/26/490074226.db2.gz VXVNNVYQIHGUHU-RYRKJORJSA-N 2 2 368.547 0.930 20 0 FCADLP [NH3+]C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000479207450 490074483 /nfs/dbraw/zinc/07/44/83/490074483.db2.gz PVFXINIHRNUTRZ-QGZVFWFLSA-N 2 2 372.448 0.596 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000571273981 491297227 /nfs/dbraw/zinc/29/72/27/491297227.db2.gz VXKBBMQAGZBAFX-INIZCTEOSA-N 2 2 364.494 1.382 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000571273981 491297228 /nfs/dbraw/zinc/29/72/28/491297228.db2.gz VXKBBMQAGZBAFX-INIZCTEOSA-N 2 2 364.494 1.382 20 0 FCADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000564272408 491298020 /nfs/dbraw/zinc/29/80/20/491298020.db2.gz HGEUPSXITZZQHA-QGZVFWFLSA-N 2 2 369.469 0.735 20 0 FCADLP OC[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)Cc1ccco1 ZINC000532647662 490090832 /nfs/dbraw/zinc/09/08/32/490090832.db2.gz GAELZEFDAPPRAP-QGZVFWFLSA-N 2 2 351.491 0.817 20 0 FCADLP OC[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)Cc1ccco1 ZINC000532647662 490090833 /nfs/dbraw/zinc/09/08/33/490090833.db2.gz GAELZEFDAPPRAP-QGZVFWFLSA-N 2 2 351.491 0.817 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2sccn2c1=O ZINC000495818384 490095209 /nfs/dbraw/zinc/09/52/09/490095209.db2.gz BGLTYYFFVBILFS-UHFFFAOYSA-N 2 2 363.487 0.854 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2sccn2c1=O ZINC000495818384 490095210 /nfs/dbraw/zinc/09/52/10/490095210.db2.gz BGLTYYFFVBILFS-UHFFFAOYSA-N 2 2 363.487 0.854 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000519859710 490100368 /nfs/dbraw/zinc/10/03/68/490100368.db2.gz MUJYKDCHJBMVNE-KRWDZBQOSA-N 2 2 370.538 0.791 20 0 FCADLP CN(C(=O)[C@]1(C)CC1(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000421771231 490106564 /nfs/dbraw/zinc/10/65/64/490106564.db2.gz WORZLZQTDFIHSE-KRWDZBQOSA-N 2 2 372.460 0.729 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000479754975 490123370 /nfs/dbraw/zinc/12/33/70/490123370.db2.gz NHXZIFAYVKVUDB-BETUJISGSA-N 2 2 360.414 0.647 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000479754975 490123377 /nfs/dbraw/zinc/12/33/77/490123377.db2.gz NHXZIFAYVKVUDB-BETUJISGSA-N 2 2 360.414 0.647 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479757278 490123568 /nfs/dbraw/zinc/12/35/68/490123568.db2.gz SRDVFGGBTAKFDY-MYZSUADSSA-N 2 2 366.487 0.051 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479757278 490123577 /nfs/dbraw/zinc/12/35/77/490123577.db2.gz SRDVFGGBTAKFDY-MYZSUADSSA-N 2 2 366.487 0.051 20 0 FCADLP CCN1C[C@@H](C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000422010780 490126582 /nfs/dbraw/zinc/12/65/82/490126582.db2.gz SZMIOFKGMDJGHZ-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP CCN1C[C@@H](C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000422010780 490126587 /nfs/dbraw/zinc/12/65/87/490126587.db2.gz SZMIOFKGMDJGHZ-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000422027658 490127910 /nfs/dbraw/zinc/12/79/10/490127910.db2.gz WMZWCKZHOTYUKI-SFHVURJKSA-N 3 2 366.550 0.973 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000422027658 490127916 /nfs/dbraw/zinc/12/79/16/490127916.db2.gz WMZWCKZHOTYUKI-SFHVURJKSA-N 3 2 366.550 0.973 20 0 FCADLP CCO[C@H]1COCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000545408507 490132257 /nfs/dbraw/zinc/13/22/57/490132257.db2.gz DCFYJRQUMVQWOK-SJORKVTESA-N 2 2 356.511 0.848 20 0 FCADLP CCO[C@H]1COCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545408507 490132259 /nfs/dbraw/zinc/13/22/59/490132259.db2.gz DCFYJRQUMVQWOK-SJORKVTESA-N 2 2 356.511 0.848 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000479888766 490134351 /nfs/dbraw/zinc/13/43/51/490134351.db2.gz MLCHTZBNZVSHCJ-HNNXBMFYSA-N 2 2 370.538 0.696 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000479888766 490134359 /nfs/dbraw/zinc/13/43/59/490134359.db2.gz MLCHTZBNZVSHCJ-HNNXBMFYSA-N 2 2 370.538 0.696 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCSC1 ZINC000556208954 491303277 /nfs/dbraw/zinc/30/32/77/491303277.db2.gz SJVQIUCZZMIOAK-QGZVFWFLSA-N 2 2 365.503 0.600 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000422103928 490157139 /nfs/dbraw/zinc/15/71/39/490157139.db2.gz HVMQCANAMCQYTC-GJZGRUSLSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000422103928 490157146 /nfs/dbraw/zinc/15/71/46/490157146.db2.gz HVMQCANAMCQYTC-GJZGRUSLSA-N 2 2 362.478 0.168 20 0 FCADLP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000520586922 490167556 /nfs/dbraw/zinc/16/75/56/490167556.db2.gz OMMYHWZEJNXTIA-AWEZNQCLSA-N 2 2 368.503 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000546009111 490176422 /nfs/dbraw/zinc/17/64/22/490176422.db2.gz ZNXXHBJZNUERPE-OAHLLOKOSA-N 2 2 360.462 0.586 20 0 FCADLP CCO[C@H](CC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684973 490178233 /nfs/dbraw/zinc/17/82/33/490178233.db2.gz CCHWPVOAYPFIKM-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000546099616 490188413 /nfs/dbraw/zinc/18/84/13/490188413.db2.gz QGAIQQREBCPQJF-UHFFFAOYSA-N 2 2 355.446 0.966 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000422179163 490197263 /nfs/dbraw/zinc/19/72/63/490197263.db2.gz KFJNQQMQVSTNCG-UHFFFAOYSA-N 3 2 369.554 0.766 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000422179163 490197268 /nfs/dbraw/zinc/19/72/68/490197268.db2.gz KFJNQQMQVSTNCG-UHFFFAOYSA-N 3 2 369.554 0.766 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556282216 491307711 /nfs/dbraw/zinc/30/77/11/491307711.db2.gz WNCVFENXHGYTBG-OAHLLOKOSA-N 2 2 361.490 0.678 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556282216 491307712 /nfs/dbraw/zinc/30/77/12/491307712.db2.gz WNCVFENXHGYTBG-OAHLLOKOSA-N 2 2 361.490 0.678 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769768 490211115 /nfs/dbraw/zinc/21/11/15/490211115.db2.gz ZAEBETLELKPYNT-RDJZCZTQSA-N 2 2 363.506 0.419 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769768 490211117 /nfs/dbraw/zinc/21/11/17/490211117.db2.gz ZAEBETLELKPYNT-RDJZCZTQSA-N 2 2 363.506 0.419 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000497777352 490213954 /nfs/dbraw/zinc/21/39/54/490213954.db2.gz YOIPYCFFIFWJSG-INIZCTEOSA-N 2 2 353.488 0.313 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000497777352 490213959 /nfs/dbraw/zinc/21/39/59/490213959.db2.gz YOIPYCFFIFWJSG-INIZCTEOSA-N 2 2 353.488 0.313 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000466934803 490226876 /nfs/dbraw/zinc/22/68/76/490226876.db2.gz ZDFZVBUGTRMNNT-AEFFLSMTSA-N 2 2 373.501 0.895 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000466934803 490226888 /nfs/dbraw/zinc/22/68/88/490226888.db2.gz ZDFZVBUGTRMNNT-AEFFLSMTSA-N 2 2 373.501 0.895 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000556308128 491309056 /nfs/dbraw/zinc/30/90/56/491309056.db2.gz APCHZGDWJBPEBD-HZPDHXFCSA-N 2 2 365.478 0.251 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000564483064 491309597 /nfs/dbraw/zinc/30/95/97/491309597.db2.gz VUGLGKIVWFAMQY-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000564483064 491309598 /nfs/dbraw/zinc/30/95/98/491309598.db2.gz VUGLGKIVWFAMQY-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000564483064 491309600 /nfs/dbraw/zinc/30/96/00/491309600.db2.gz VUGLGKIVWFAMQY-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000497929694 490234362 /nfs/dbraw/zinc/23/43/62/490234362.db2.gz LFULCOPGYZTODR-KRWDZBQOSA-N 2 2 356.430 0.296 20 0 FCADLP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000571461082 491309840 /nfs/dbraw/zinc/30/98/40/491309840.db2.gz GCWSZCWIGMMACC-JQWIXIFHSA-N 2 2 358.430 0.707 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000521267791 490243802 /nfs/dbraw/zinc/24/38/02/490243802.db2.gz ZORVAIFUJIGNHQ-MZMPZRCHSA-N 2 2 371.428 0.765 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000521267791 490243810 /nfs/dbraw/zinc/24/38/10/490243810.db2.gz ZORVAIFUJIGNHQ-MZMPZRCHSA-N 2 2 371.428 0.765 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000556359771 491311452 /nfs/dbraw/zinc/31/14/52/491311452.db2.gz HFBPHGLRWSWFDT-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000556359771 491311454 /nfs/dbraw/zinc/31/14/54/491311454.db2.gz HFBPHGLRWSWFDT-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CCCn1c(N)c(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(=O)[nH]c1=O ZINC000467132836 490256480 /nfs/dbraw/zinc/25/64/80/490256480.db2.gz AKRHUUOITZQLOC-UHFFFAOYSA-N 2 2 360.418 0.727 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000498113723 490261098 /nfs/dbraw/zinc/26/10/98/490261098.db2.gz IHIVTIGTQFXDMT-UHFFFAOYSA-N 2 2 368.570 0.291 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000498206730 490271348 /nfs/dbraw/zinc/27/13/48/490271348.db2.gz MCGWXNZTLAPDPR-CQSZACIVSA-N 2 2 370.400 0.670 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc2)CC1 ZINC000498207746 490273334 /nfs/dbraw/zinc/27/33/34/490273334.db2.gz JBFCECAPXBIUMH-AWEZNQCLSA-N 2 2 354.401 0.673 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447902255 490286737 /nfs/dbraw/zinc/28/67/37/490286737.db2.gz JJKYIDYFOCBWRY-ZWKOTPCHSA-N 2 2 363.458 0.587 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)NCC(F)F)CC2)CC1 ZINC000483146396 490287310 /nfs/dbraw/zinc/28/73/10/490287310.db2.gz HXCCCPQKYNWZGU-UHFFFAOYSA-N 2 2 361.437 0.226 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000564575865 491314777 /nfs/dbraw/zinc/31/47/77/491314777.db2.gz SIHJCEYWVMGKOF-INIZCTEOSA-N 2 2 363.510 0.627 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000564575865 491314779 /nfs/dbraw/zinc/31/47/79/491314779.db2.gz SIHJCEYWVMGKOF-INIZCTEOSA-N 2 2 363.510 0.627 20 0 FCADLP O=C(CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)N1CC[NH2+]CC1 ZINC000521842645 490301773 /nfs/dbraw/zinc/30/17/73/490301773.db2.gz CXCGRQYMTOBXJP-UHFFFAOYSA-N 2 2 351.476 0.007 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000533981180 490307752 /nfs/dbraw/zinc/30/77/52/490307752.db2.gz YRTJQTQIURIMLM-UHFFFAOYSA-N 3 2 369.554 0.547 20 0 FCADLP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556517377 491317663 /nfs/dbraw/zinc/31/76/63/491317663.db2.gz BDQCSYSMYPDDJB-NQIIRXRSSA-N 2 2 370.497 0.978 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422450851 490326686 /nfs/dbraw/zinc/32/66/86/490326686.db2.gz CPOMDUAFFCEVGG-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422450851 490326695 /nfs/dbraw/zinc/32/66/95/490326695.db2.gz CPOMDUAFFCEVGG-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422450851 490326705 /nfs/dbraw/zinc/32/67/05/490326705.db2.gz CPOMDUAFFCEVGG-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422450851 490326711 /nfs/dbraw/zinc/32/67/11/490326711.db2.gz CPOMDUAFFCEVGG-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CS[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000534216217 490331682 /nfs/dbraw/zinc/33/16/82/490331682.db2.gz IJNVRSRFBGWAGL-HUUCEWRRSA-N 2 2 358.552 0.191 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467701781 490332068 /nfs/dbraw/zinc/33/20/68/490332068.db2.gz YSRFZAJJDFLNGL-IPQPSQTFSA-N 2 2 371.481 0.818 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467701781 490332074 /nfs/dbraw/zinc/33/20/74/490332074.db2.gz YSRFZAJJDFLNGL-IPQPSQTFSA-N 2 2 371.481 0.818 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483740706 490342898 /nfs/dbraw/zinc/34/28/98/490342898.db2.gz GJVBCPPMJIUHNY-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483740706 490342904 /nfs/dbraw/zinc/34/29/04/490342904.db2.gz GJVBCPPMJIUHNY-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508639548 490344466 /nfs/dbraw/zinc/34/44/66/490344466.db2.gz WDFPDSYMRUIFKV-TVFCKZIOSA-N 2 2 354.539 0.872 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422476308 490344523 /nfs/dbraw/zinc/34/45/23/490344523.db2.gz KTWVNUADBKSKHI-INIZCTEOSA-N 2 2 369.469 0.812 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422476308 490344527 /nfs/dbraw/zinc/34/45/27/490344527.db2.gz KTWVNUADBKSKHI-INIZCTEOSA-N 2 2 369.469 0.812 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522189811 490352096 /nfs/dbraw/zinc/35/20/96/490352096.db2.gz MTDFADADUVWFQB-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000508729841 490353490 /nfs/dbraw/zinc/35/34/90/490353490.db2.gz LCRIXWXMSIJFRP-INIZCTEOSA-N 2 2 363.462 0.021 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000483901955 490355030 /nfs/dbraw/zinc/35/50/30/490355030.db2.gz ZKYMWLJZEAWERP-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000483901955 490355038 /nfs/dbraw/zinc/35/50/38/490355038.db2.gz ZKYMWLJZEAWERP-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000483901955 490355043 /nfs/dbraw/zinc/35/50/43/490355043.db2.gz ZKYMWLJZEAWERP-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000483901955 490355050 /nfs/dbraw/zinc/35/50/50/490355050.db2.gz ZKYMWLJZEAWERP-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000498952040 490371605 /nfs/dbraw/zinc/37/16/05/490371605.db2.gz PUNFXOCENPCEPM-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000498952040 490371609 /nfs/dbraw/zinc/37/16/09/490371609.db2.gz PUNFXOCENPCEPM-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000498952040 490371613 /nfs/dbraw/zinc/37/16/13/490371613.db2.gz PUNFXOCENPCEPM-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000498952040 490371621 /nfs/dbraw/zinc/37/16/21/490371621.db2.gz PUNFXOCENPCEPM-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468279507 490380016 /nfs/dbraw/zinc/38/00/16/490380016.db2.gz PKZWPUDBLJHCBU-SFHVURJKSA-N 2 2 366.550 0.877 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468279507 490380019 /nfs/dbraw/zinc/38/00/19/490380019.db2.gz PKZWPUDBLJHCBU-SFHVURJKSA-N 2 2 366.550 0.877 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000571669660 491322278 /nfs/dbraw/zinc/32/22/78/491322278.db2.gz LGZKGOTUAZIKIU-UAGQMJEPSA-N 2 2 357.458 0.107 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000509055803 490385356 /nfs/dbraw/zinc/38/53/56/490385356.db2.gz MMHUPBZKFQBTLE-MAUKXSAKSA-N 2 2 359.470 0.578 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000509055803 490385358 /nfs/dbraw/zinc/38/53/58/490385358.db2.gz MMHUPBZKFQBTLE-MAUKXSAKSA-N 2 2 359.470 0.578 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000484172450 490392695 /nfs/dbraw/zinc/39/26/95/490392695.db2.gz LGBNZKUOSWBAKP-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000484196918 490395207 /nfs/dbraw/zinc/39/52/07/490395207.db2.gz CKCONRADCCSHNY-GJZGRUSLSA-N 2 2 362.478 0.043 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220989 490399086 /nfs/dbraw/zinc/39/90/86/490399086.db2.gz OGSSUKWOLCLPDB-YVSFHVDLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220989 490399092 /nfs/dbraw/zinc/39/90/92/490399092.db2.gz OGSSUKWOLCLPDB-YVSFHVDLSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548359 490402011 /nfs/dbraw/zinc/40/20/11/490402011.db2.gz YZHVXSVTURDPKN-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548359 490402018 /nfs/dbraw/zinc/40/20/18/490402018.db2.gz YZHVXSVTURDPKN-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548359 490402026 /nfs/dbraw/zinc/40/20/26/490402026.db2.gz YZHVXSVTURDPKN-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548359 490402032 /nfs/dbraw/zinc/40/20/32/490402032.db2.gz YZHVXSVTURDPKN-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548360 490402223 /nfs/dbraw/zinc/40/22/23/490402223.db2.gz YZHVXSVTURDPKN-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548360 490402232 /nfs/dbraw/zinc/40/22/32/490402232.db2.gz YZHVXSVTURDPKN-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548360 490402237 /nfs/dbraw/zinc/40/22/37/490402237.db2.gz YZHVXSVTURDPKN-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548360 490402244 /nfs/dbraw/zinc/40/22/44/490402244.db2.gz YZHVXSVTURDPKN-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411231857 490408824 /nfs/dbraw/zinc/40/88/24/490408824.db2.gz XAEUWVIAMGTHDJ-OAHLLOKOSA-N 2 2 359.430 0.482 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000548034687 490410080 /nfs/dbraw/zinc/41/00/80/490410080.db2.gz SPTDXQAYWKJAMA-QGZVFWFLSA-N 2 2 369.554 0.501 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000548034687 490410085 /nfs/dbraw/zinc/41/00/85/490410085.db2.gz SPTDXQAYWKJAMA-QGZVFWFLSA-N 2 2 369.554 0.501 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556641442 491324820 /nfs/dbraw/zinc/32/48/20/491324820.db2.gz NBGYVUAHQTZBST-UHFFFAOYSA-N 2 2 365.478 0.349 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625233 490430850 /nfs/dbraw/zinc/43/08/50/490430850.db2.gz BACIIFFJFSLBDJ-MJBXVCDLSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625233 490430854 /nfs/dbraw/zinc/43/08/54/490430854.db2.gz BACIIFFJFSLBDJ-MJBXVCDLSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422625232 490430884 /nfs/dbraw/zinc/43/08/84/490430884.db2.gz BACIIFFJFSLBDJ-MCIONIFRSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422625232 490430885 /nfs/dbraw/zinc/43/08/85/490430885.db2.gz BACIIFFJFSLBDJ-MCIONIFRSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000422640284 490438873 /nfs/dbraw/zinc/43/88/73/490438873.db2.gz VJWWDYMIMZNGKA-MCIONIFRSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000422640284 490438877 /nfs/dbraw/zinc/43/88/77/490438877.db2.gz VJWWDYMIMZNGKA-MCIONIFRSA-N 2 2 368.503 0.886 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000450018732 490439588 /nfs/dbraw/zinc/43/95/88/490439588.db2.gz PZILIDNSIXEBAQ-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C[NH+]1CCOCC1 ZINC000523513427 490471207 /nfs/dbraw/zinc/47/12/07/490471207.db2.gz CXFSXALBNCCUGL-MRXNPFEDSA-N 2 2 364.494 0.216 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000422759570 490473321 /nfs/dbraw/zinc/47/33/21/490473321.db2.gz LAIYDXPMHVOERY-GJZGRUSLSA-N 3 2 354.520 0.838 20 0 FCADLP COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000422769199 490474892 /nfs/dbraw/zinc/47/48/92/490474892.db2.gz VEWBQTMQAATOJL-GDBMZVCRSA-N 2 2 371.503 0.468 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548383557 490476829 /nfs/dbraw/zinc/47/68/29/490476829.db2.gz ZFDDGQIXDOJOHB-ZDUSSCGKSA-N 2 2 374.489 0.952 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548383557 490476834 /nfs/dbraw/zinc/47/68/34/490476834.db2.gz ZFDDGQIXDOJOHB-ZDUSSCGKSA-N 2 2 374.489 0.952 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422887720 490490988 /nfs/dbraw/zinc/49/09/88/490490988.db2.gz ZBHHBAVVLKWYQN-MSOLQXFVSA-N 2 2 374.485 0.457 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000535576342 490503407 /nfs/dbraw/zinc/50/34/07/490503407.db2.gz WLHBMDVBUVGACX-QFBILLFUSA-N 2 2 361.486 0.838 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000535576342 490503410 /nfs/dbraw/zinc/50/34/10/490503410.db2.gz WLHBMDVBUVGACX-QFBILLFUSA-N 2 2 361.486 0.838 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985302 490511816 /nfs/dbraw/zinc/51/18/16/490511816.db2.gz DANHINDXLJBWQU-YESZJQIVSA-N 3 2 360.506 0.999 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CCn4cc[nH+]c4C3)ccn2)CC1 ZINC000548609225 490517290 /nfs/dbraw/zinc/51/72/90/490517290.db2.gz QREFWMTZHSANRS-MRXNPFEDSA-N 2 2 369.473 0.844 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000423011557 490517786 /nfs/dbraw/zinc/51/77/86/490517786.db2.gz JFWIHQUFZANDGT-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000535728415 490518562 /nfs/dbraw/zinc/51/85/62/490518562.db2.gz SXSHOCNWBBJQLF-QGZVFWFLSA-N 2 2 359.474 0.232 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000535728415 490518567 /nfs/dbraw/zinc/51/85/67/490518567.db2.gz SXSHOCNWBBJQLF-QGZVFWFLSA-N 2 2 359.474 0.232 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000535728415 490518568 /nfs/dbraw/zinc/51/85/68/490518568.db2.gz SXSHOCNWBBJQLF-QGZVFWFLSA-N 2 2 359.474 0.232 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000535728415 490518571 /nfs/dbraw/zinc/51/85/71/490518571.db2.gz SXSHOCNWBBJQLF-QGZVFWFLSA-N 2 2 359.474 0.232 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423014558 490519059 /nfs/dbraw/zinc/51/90/59/490519059.db2.gz ISINLEQTLPPDKD-HNNXBMFYSA-N 2 2 364.515 0.850 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423014559 490519181 /nfs/dbraw/zinc/51/91/81/490519181.db2.gz ISINLEQTLPPDKD-OAHLLOKOSA-N 2 2 364.515 0.850 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000423021227 490520756 /nfs/dbraw/zinc/52/07/56/490520756.db2.gz BOSJFGZLOGXQFU-IAGOWNOFSA-N 2 2 360.458 0.078 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000423021227 490520764 /nfs/dbraw/zinc/52/07/64/490520764.db2.gz BOSJFGZLOGXQFU-IAGOWNOFSA-N 2 2 360.458 0.078 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000423029178 490524409 /nfs/dbraw/zinc/52/44/09/490524409.db2.gz RVCUCOOOWYXDFR-WMZOPIPTSA-N 2 2 358.486 0.960 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000423029178 490524411 /nfs/dbraw/zinc/52/44/11/490524411.db2.gz RVCUCOOOWYXDFR-WMZOPIPTSA-N 2 2 358.486 0.960 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000423047177 490530643 /nfs/dbraw/zinc/53/06/43/490530643.db2.gz GQKOOOLOJBVWKZ-UHFFFAOYSA-N 2 2 352.866 0.791 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000423047177 490530644 /nfs/dbraw/zinc/53/06/44/490530644.db2.gz GQKOOOLOJBVWKZ-UHFFFAOYSA-N 2 2 352.866 0.791 20 0 FCADLP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000510796608 490541499 /nfs/dbraw/zinc/54/14/99/490541499.db2.gz JQABDGXHUSCVKK-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000524598322 490545572 /nfs/dbraw/zinc/54/55/72/490545572.db2.gz PZZYCEHQQIHAJC-DOTOQJQBSA-N 2 2 372.535 0.214 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000524598322 490545578 /nfs/dbraw/zinc/54/55/78/490545578.db2.gz PZZYCEHQQIHAJC-DOTOQJQBSA-N 2 2 372.535 0.214 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)CSCC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000536019015 490547205 /nfs/dbraw/zinc/54/72/05/490547205.db2.gz RPBINNYYEILONY-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000500752295 490548765 /nfs/dbraw/zinc/54/87/65/490548765.db2.gz PBEXEPHZDDKJNT-NVXWUHKLSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000500752295 490548771 /nfs/dbraw/zinc/54/87/71/490548771.db2.gz PBEXEPHZDDKJNT-NVXWUHKLSA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nn1 ZINC000564909485 491335256 /nfs/dbraw/zinc/33/52/56/491335256.db2.gz MXXQYWFSOKETOI-KRWDZBQOSA-N 2 2 358.446 0.430 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000571884640 491335281 /nfs/dbraw/zinc/33/52/81/491335281.db2.gz XLZKCTTXBARLMP-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000571884640 491335284 /nfs/dbraw/zinc/33/52/84/491335284.db2.gz XLZKCTTXBARLMP-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000571884640 491335286 /nfs/dbraw/zinc/33/52/86/491335286.db2.gz XLZKCTTXBARLMP-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000571884640 491335289 /nfs/dbraw/zinc/33/52/89/491335289.db2.gz XLZKCTTXBARLMP-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000524667088 490550037 /nfs/dbraw/zinc/55/00/37/490550037.db2.gz QYLWINNVBFXPRB-IRXDYDNUSA-N 3 2 369.554 0.763 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000524667088 490550039 /nfs/dbraw/zinc/55/00/39/490550039.db2.gz QYLWINNVBFXPRB-IRXDYDNUSA-N 3 2 369.554 0.763 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1)N1CCCC1 ZINC000485771328 490557374 /nfs/dbraw/zinc/55/73/74/490557374.db2.gz AERIFJPQJUKHRT-HNNXBMFYSA-N 2 2 374.489 0.257 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1)N1CCCC1 ZINC000485771328 490557379 /nfs/dbraw/zinc/55/73/79/490557379.db2.gz AERIFJPQJUKHRT-HNNXBMFYSA-N 2 2 374.489 0.257 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000524785753 490560271 /nfs/dbraw/zinc/56/02/71/490560271.db2.gz NJZFKLUWFGXJLI-SFHVURJKSA-N 2 2 367.538 0.520 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C(=O)OC)C1 ZINC000501053263 490575239 /nfs/dbraw/zinc/57/52/39/490575239.db2.gz SWULWYLAJDDMHY-IAGOWNOFSA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C(=O)OC)C1 ZINC000501053263 490575241 /nfs/dbraw/zinc/57/52/41/490575241.db2.gz SWULWYLAJDDMHY-IAGOWNOFSA-N 2 2 369.506 0.829 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)CC1 ZINC000564931881 491337830 /nfs/dbraw/zinc/33/78/30/491337830.db2.gz SDAAHWBLOSQFBR-MSOLQXFVSA-N 2 2 360.458 0.796 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000486254598 490601525 /nfs/dbraw/zinc/60/15/25/490601525.db2.gz VAQQJRZIMGESTR-INIZCTEOSA-N 2 2 365.478 0.274 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282705 490605311 /nfs/dbraw/zinc/60/53/11/490605311.db2.gz KSEDLVJSVVNUHE-NXOAAHMSSA-N 2 2 368.522 0.163 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282705 490605315 /nfs/dbraw/zinc/60/53/15/490605315.db2.gz KSEDLVJSVVNUHE-NXOAAHMSSA-N 2 2 368.522 0.163 20 0 FCADLP CC[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000511604606 490607437 /nfs/dbraw/zinc/60/74/37/490607437.db2.gz GPZMTPLZAPGOTJ-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@@H+]1C ZINC000525707052 490625243 /nfs/dbraw/zinc/62/52/43/490625243.db2.gz JMYXIVNWDJWSDP-CABCVRRESA-N 2 2 367.519 0.912 20 0 FCADLP C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@H+]1C ZINC000525707052 490625247 /nfs/dbraw/zinc/62/52/47/490625247.db2.gz JMYXIVNWDJWSDP-CABCVRRESA-N 2 2 367.519 0.912 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501623849 490626144 /nfs/dbraw/zinc/62/61/44/490626144.db2.gz MJUANTQUVLSAFD-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501623849 490626146 /nfs/dbraw/zinc/62/61/46/490626146.db2.gz MJUANTQUVLSAFD-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1csc2nc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000486442829 490626420 /nfs/dbraw/zinc/62/64/20/490626420.db2.gz QFBJMXANWJMZAK-CQSZACIVSA-N 2 2 361.471 0.461 20 0 FCADLP Cc1csc2nc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000486442829 490626424 /nfs/dbraw/zinc/62/64/24/490626424.db2.gz QFBJMXANWJMZAK-CQSZACIVSA-N 2 2 361.471 0.461 20 0 FCADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486457868 490630293 /nfs/dbraw/zinc/63/02/93/490630293.db2.gz JAJAUGPJAPWFSB-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486457868 490630295 /nfs/dbraw/zinc/63/02/95/490630295.db2.gz JAJAUGPJAPWFSB-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459156 490630575 /nfs/dbraw/zinc/63/05/75/490630575.db2.gz KAZWSWDZVDOSHL-VVLHAWIVSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459156 490630579 /nfs/dbraw/zinc/63/05/79/490630579.db2.gz KAZWSWDZVDOSHL-VVLHAWIVSA-N 2 2 350.507 0.776 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000536994205 490632207 /nfs/dbraw/zinc/63/22/07/490632207.db2.gz HGUVDHDUIZKCEE-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000536994205 490632210 /nfs/dbraw/zinc/63/22/10/490632210.db2.gz HGUVDHDUIZKCEE-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[C@H]1C ZINC000486472353 490637493 /nfs/dbraw/zinc/63/74/93/490637493.db2.gz SWCSPRZWMDQZPY-TWMKSMIVSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[C@H]1C ZINC000486472353 490637501 /nfs/dbraw/zinc/63/75/01/490637501.db2.gz SWCSPRZWMDQZPY-TWMKSMIVSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000511915326 490639154 /nfs/dbraw/zinc/63/91/54/490639154.db2.gz GDPSGYAZUMCZDU-KRWDZBQOSA-N 2 2 365.522 0.810 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000511915326 490639159 /nfs/dbraw/zinc/63/91/59/490639159.db2.gz GDPSGYAZUMCZDU-KRWDZBQOSA-N 2 2 365.522 0.810 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1ccccc1 ZINC000550234997 490646636 /nfs/dbraw/zinc/64/66/36/490646636.db2.gz QQGCIFBAJSRZJG-MRXNPFEDSA-N 2 2 373.457 0.320 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000550286429 490655294 /nfs/dbraw/zinc/65/52/94/490655294.db2.gz IBHJOPNDWQUBMT-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000550296043 490655914 /nfs/dbraw/zinc/65/59/14/490655914.db2.gz DSFXCTISQUZLLJ-UHFFFAOYSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000550296043 490655918 /nfs/dbraw/zinc/65/59/18/490655918.db2.gz DSFXCTISQUZLLJ-UHFFFAOYSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000501943833 490656742 /nfs/dbraw/zinc/65/67/42/490656742.db2.gz AGOKAGBSBKSMSF-INIZCTEOSA-N 2 2 357.458 0.748 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564984939 491343400 /nfs/dbraw/zinc/34/34/00/491343400.db2.gz LGEQPFGAXDADJT-DLBZAZTESA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564984939 491343401 /nfs/dbraw/zinc/34/34/01/491343401.db2.gz LGEQPFGAXDADJT-DLBZAZTESA-N 2 2 350.507 0.633 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564985718 491343474 /nfs/dbraw/zinc/34/34/74/491343474.db2.gz KWKAUCWOADIOBZ-CQSZACIVSA-N 2 2 374.441 0.308 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564985718 491343476 /nfs/dbraw/zinc/34/34/76/491343476.db2.gz KWKAUCWOADIOBZ-CQSZACIVSA-N 2 2 374.441 0.308 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550359119 490663548 /nfs/dbraw/zinc/66/35/48/490663548.db2.gz KGEARQXJFBRZKZ-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000550359119 490663553 /nfs/dbraw/zinc/66/35/53/490663553.db2.gz KGEARQXJFBRZKZ-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000526064521 490671323 /nfs/dbraw/zinc/67/13/23/490671323.db2.gz CTPKFSRUKLAEPZ-WYNHDABHSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000526064521 490671329 /nfs/dbraw/zinc/67/13/29/490671329.db2.gz CTPKFSRUKLAEPZ-WYNHDABHSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000526064521 490671335 /nfs/dbraw/zinc/67/13/35/490671335.db2.gz CTPKFSRUKLAEPZ-WYNHDABHSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000526064521 490671342 /nfs/dbraw/zinc/67/13/42/490671342.db2.gz CTPKFSRUKLAEPZ-WYNHDABHSA-N 2 2 362.518 0.937 20 0 FCADLP CC1(C)OCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550623005 490681462 /nfs/dbraw/zinc/68/14/62/490681462.db2.gz QTIOPYMLRHGYCO-HNNXBMFYSA-N 2 2 368.503 0.691 20 0 FCADLP COc1cccc([C@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)C)[NH+](C)C)c1 ZINC000512483934 490685119 /nfs/dbraw/zinc/68/51/19/490685119.db2.gz MFWDRGLXNNAPMH-KRWDZBQOSA-N 2 2 364.490 0.871 20 0 FCADLP COc1cccc([C@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)[NH+](C)C)c1 ZINC000512483934 490685122 /nfs/dbraw/zinc/68/51/22/490685122.db2.gz MFWDRGLXNNAPMH-KRWDZBQOSA-N 2 2 364.490 0.871 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)C1 ZINC000527004269 490691750 /nfs/dbraw/zinc/69/17/50/490691750.db2.gz JGOCBMMSRWFOPR-CHWSQXEVSA-N 2 2 360.462 0.561 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)C1 ZINC000527004269 490691755 /nfs/dbraw/zinc/69/17/55/490691755.db2.gz JGOCBMMSRWFOPR-CHWSQXEVSA-N 2 2 360.462 0.561 20 0 FCADLP COCCn1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cn1 ZINC000502364685 490702484 /nfs/dbraw/zinc/70/24/84/490702484.db2.gz IXNFYGNWEDDTBC-UHFFFAOYSA-N 2 2 351.495 0.416 20 0 FCADLP COCCn1cc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cn1 ZINC000502364685 490702486 /nfs/dbraw/zinc/70/24/86/490702486.db2.gz IXNFYGNWEDDTBC-UHFFFAOYSA-N 2 2 351.495 0.416 20 0 FCADLP O=C(C[N@@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCC1 ZINC000538263096 490722981 /nfs/dbraw/zinc/72/29/81/490722981.db2.gz OFHGPUQSGTUZLZ-HDICACEKSA-N 2 2 350.507 0.480 20 0 FCADLP O=C(C[N@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCC1 ZINC000538263096 490722986 /nfs/dbraw/zinc/72/29/86/490722986.db2.gz OFHGPUQSGTUZLZ-HDICACEKSA-N 2 2 350.507 0.480 20 0 FCADLP O=C(C[NH+]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCC1 ZINC000538263096 490722987 /nfs/dbraw/zinc/72/29/87/490722987.db2.gz OFHGPUQSGTUZLZ-HDICACEKSA-N 2 2 350.507 0.480 20 0 FCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000502836654 490723906 /nfs/dbraw/zinc/72/39/06/490723906.db2.gz YNJBZHLFVWNIES-ROUUACIJSA-N 2 2 374.485 0.962 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000513463754 490730975 /nfs/dbraw/zinc/73/09/75/490730975.db2.gz PVSXBSGWCNZLTL-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513463201 490731473 /nfs/dbraw/zinc/73/14/73/490731473.db2.gz JYSQOCHAMGVPEI-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000513469683 490731833 /nfs/dbraw/zinc/73/18/33/490731833.db2.gz RKGCAIOGRNNJSY-OAHLLOKOSA-N 2 2 361.490 0.823 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)CCCN1CC[NH+](C)CC1)n2C ZINC000538684979 490744988 /nfs/dbraw/zinc/74/49/88/490744988.db2.gz POZLIVWMLDWUHP-UHFFFAOYSA-N 2 2 373.505 0.744 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)CCC[NH+]1CCN(C)CC1)n2C ZINC000538684979 490744989 /nfs/dbraw/zinc/74/49/89/490744989.db2.gz POZLIVWMLDWUHP-UHFFFAOYSA-N 2 2 373.505 0.744 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144613 491351808 /nfs/dbraw/zinc/35/18/08/491351808.db2.gz JBILRECPJVWWRJ-AYOQOUSVSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144613 491351809 /nfs/dbraw/zinc/35/18/09/491351809.db2.gz JBILRECPJVWWRJ-AYOQOUSVSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572144613 491351811 /nfs/dbraw/zinc/35/18/11/491351811.db2.gz JBILRECPJVWWRJ-AYOQOUSVSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572144613 491351813 /nfs/dbraw/zinc/35/18/13/491351813.db2.gz JBILRECPJVWWRJ-AYOQOUSVSA-N 2 2 358.486 0.976 20 0 FCADLP CCOC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527723507 490754730 /nfs/dbraw/zinc/75/47/30/490754730.db2.gz BMFRKNYPLDDLTH-SFHVURJKSA-N 2 2 368.522 0.992 20 0 FCADLP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1CC[NH+]1CCOCC1 ZINC000539082089 490762852 /nfs/dbraw/zinc/76/28/52/490762852.db2.gz JQHYBUUKTHYCLC-SFHVURJKSA-N 3 2 364.534 0.916 20 0 FCADLP CN1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000557193204 491358866 /nfs/dbraw/zinc/35/88/66/491358866.db2.gz HADIYNDFIDLJGQ-DOMZBBRYSA-N 2 2 355.433 0.852 20 0 FCADLP COc1c(N)[nH+]cnc1N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000572179088 491353963 /nfs/dbraw/zinc/35/39/63/491353963.db2.gz HZVYUQZDZZHXFC-UHFFFAOYSA-N 2 2 364.494 0.988 20 0 FCADLP COc1c(N)nc[nH+]c1N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000572179088 491353965 /nfs/dbraw/zinc/35/39/65/491353965.db2.gz HZVYUQZDZZHXFC-UHFFFAOYSA-N 2 2 364.494 0.988 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000539320689 490776544 /nfs/dbraw/zinc/77/65/44/490776544.db2.gz VFJJTMAMTSZYOE-HNNXBMFYSA-N 2 2 355.508 0.402 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320957 490776738 /nfs/dbraw/zinc/77/67/38/490776738.db2.gz XCMXTTJPYVUTOM-WCXIOVBPSA-N 2 2 357.495 0.026 20 0 FCADLP COC(=O)CC[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320957 490776743 /nfs/dbraw/zinc/77/67/43/490776743.db2.gz XCMXTTJPYVUTOM-WCXIOVBPSA-N 2 2 357.495 0.026 20 0 FCADLP COC(=O)CC[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320957 490776746 /nfs/dbraw/zinc/77/67/46/490776746.db2.gz XCMXTTJPYVUTOM-WCXIOVBPSA-N 2 2 357.495 0.026 20 0 FCADLP O=C(NCCn1cc[nH+]c1)c1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000539338512 490778807 /nfs/dbraw/zinc/77/88/07/490778807.db2.gz CXZBVPGJVBXFFP-UHFFFAOYSA-N 2 2 352.398 0.940 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1=CC[N@H+](C)CC1 ZINC000514677312 490781370 /nfs/dbraw/zinc/78/13/70/490781370.db2.gz UEORFAFEBARUBH-AWEZNQCLSA-N 2 2 359.474 0.645 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1=CC[N@@H+](C)CC1 ZINC000514677312 490781373 /nfs/dbraw/zinc/78/13/73/490781373.db2.gz UEORFAFEBARUBH-AWEZNQCLSA-N 2 2 359.474 0.645 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557135781 491355824 /nfs/dbraw/zinc/35/58/24/491355824.db2.gz ZHSGSHMPXMUGOY-BBWFWOEESA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557135781 491355826 /nfs/dbraw/zinc/35/58/26/491355826.db2.gz ZHSGSHMPXMUGOY-BBWFWOEESA-N 2 2 368.522 0.448 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000514861905 490793494 /nfs/dbraw/zinc/79/34/94/490793494.db2.gz WBSXVAHHZPRRLW-CQSZACIVSA-N 2 2 353.488 0.846 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000557151606 491356715 /nfs/dbraw/zinc/35/67/15/491356715.db2.gz UZZYOMSYHJVFMR-KRWDZBQOSA-N 3 2 363.506 0.454 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000557151606 491356718 /nfs/dbraw/zinc/35/67/18/491356718.db2.gz UZZYOMSYHJVFMR-KRWDZBQOSA-N 3 2 363.506 0.454 20 0 FCADLP COCCc1noc(CC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000528621542 490813945 /nfs/dbraw/zinc/81/39/45/490813945.db2.gz UVYJVUFEPKJKEO-UHFFFAOYSA-N 2 2 365.478 0.287 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702204 490836515 /nfs/dbraw/zinc/83/65/15/490836515.db2.gz AFSOCCXWQZQFNV-AEFFLSMTSA-N 2 2 363.458 0.132 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702204 490836516 /nfs/dbraw/zinc/83/65/16/490836516.db2.gz AFSOCCXWQZQFNV-AEFFLSMTSA-N 2 2 363.458 0.132 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000515832284 490839841 /nfs/dbraw/zinc/83/98/41/490839841.db2.gz PWDFFFDGKULQAX-CRAIPNDOSA-N 2 2 365.474 0.943 20 0 FCADLP Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000515944706 490844637 /nfs/dbraw/zinc/84/46/37/490844637.db2.gz BGGXWPLBQYGEHS-UHFFFAOYSA-N 2 2 374.489 0.736 20 0 FCADLP COc1ccc([C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000529284465 490847302 /nfs/dbraw/zinc/84/73/02/490847302.db2.gz OLGLOAKXUGJFDO-GDBMZVCRSA-N 2 2 359.430 0.806 20 0 FCADLP CC(C)Nc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)nc(NCCO)[nH+]1 ZINC000516102086 490850824 /nfs/dbraw/zinc/85/08/24/490850824.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCC[N@H+]2CCCC[C@@H]2C)nc(NCCO)[nH+]1 ZINC000516102086 490850827 /nfs/dbraw/zinc/85/08/27/490850827.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000516102086 490850830 /nfs/dbraw/zinc/85/08/30/490850830.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000516102086 490850831 /nfs/dbraw/zinc/85/08/31/490850831.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000516102086 490850833 /nfs/dbraw/zinc/85/08/33/490850833.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000516102086 490850836 /nfs/dbraw/zinc/85/08/36/490850836.db2.gz QHNFBSHVSZOBSR-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP Cc1cc(N2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000529372519 490857523 /nfs/dbraw/zinc/85/75/23/490857523.db2.gz FUVCYGOXYXHSBW-OAHLLOKOSA-N 2 2 362.478 0.728 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000516432950 490863270 /nfs/dbraw/zinc/86/32/70/490863270.db2.gz UBRWPRQKDPGNNO-SJORKVTESA-N 2 2 365.522 0.714 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000516603997 490870611 /nfs/dbraw/zinc/87/06/11/490870611.db2.gz LGAQMGBXQGJTDK-MRXNPFEDSA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000516603997 490870613 /nfs/dbraw/zinc/87/06/13/490870613.db2.gz LGAQMGBXQGJTDK-MRXNPFEDSA-N 2 2 366.506 0.035 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529755185 490873980 /nfs/dbraw/zinc/87/39/80/490873980.db2.gz ZLFLXRHNRWJZNQ-DNVCBOLYSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529755185 490873983 /nfs/dbraw/zinc/87/39/83/490873983.db2.gz ZLFLXRHNRWJZNQ-DNVCBOLYSA-N 2 2 362.474 0.486 20 0 FCADLP CN(c1ccccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000541852907 490875540 /nfs/dbraw/zinc/87/55/40/490875540.db2.gz UJXQUMAZZOCPCL-SFHVURJKSA-N 2 2 371.485 0.953 20 0 FCADLP CN(c1ccccc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000541852907 490875543 /nfs/dbraw/zinc/87/55/43/490875543.db2.gz UJXQUMAZZOCPCL-SFHVURJKSA-N 2 2 371.485 0.953 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000517032564 490892191 /nfs/dbraw/zinc/89/21/91/490892191.db2.gz BSBSCZFLARPQMK-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000517032564 490892193 /nfs/dbraw/zinc/89/21/93/490892193.db2.gz BSBSCZFLARPQMK-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000517044077 490892727 /nfs/dbraw/zinc/89/27/27/490892727.db2.gz IPJWVHCLZUUXRQ-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000517249637 490901577 /nfs/dbraw/zinc/90/15/77/490901577.db2.gz NLAQTIYBQJTAMB-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP [NH3+]CCC1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000517382244 490906424 /nfs/dbraw/zinc/90/64/24/490906424.db2.gz SXSUQGMOMVZUFA-KRWDZBQOSA-N 2 2 356.536 0.965 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000530528243 490910657 /nfs/dbraw/zinc/91/06/57/490910657.db2.gz RZNVKERPRDZLKI-UHFFFAOYSA-N 2 2 365.478 0.656 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759964 490920038 /nfs/dbraw/zinc/92/00/38/490920038.db2.gz XOGVSFVHJBVLAH-JSGCOSHPSA-N 2 2 368.384 0.148 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759964 490920039 /nfs/dbraw/zinc/92/00/39/490920039.db2.gz XOGVSFVHJBVLAH-JSGCOSHPSA-N 2 2 368.384 0.148 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759963 490920048 /nfs/dbraw/zinc/92/00/48/490920048.db2.gz XOGVSFVHJBVLAH-GXTWGEPZSA-N 2 2 368.384 0.148 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759963 490920049 /nfs/dbraw/zinc/92/00/49/490920049.db2.gz XOGVSFVHJBVLAH-GXTWGEPZSA-N 2 2 368.384 0.148 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000517766891 490920600 /nfs/dbraw/zinc/92/06/00/490920600.db2.gz JHZRBOVIRYLZST-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180289 490923913 /nfs/dbraw/zinc/92/39/13/490923913.db2.gz ORNHDWYMGPMOBA-XUVXKRRUSA-N 2 2 373.497 0.838 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180289 490923916 /nfs/dbraw/zinc/92/39/16/490923916.db2.gz ORNHDWYMGPMOBA-XUVXKRRUSA-N 2 2 373.497 0.838 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)c2cccs2)CC1 ZINC000530817773 490926730 /nfs/dbraw/zinc/92/67/30/490926730.db2.gz XXUNDLZSTIARGX-GJZGRUSLSA-N 2 2 352.504 0.483 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c2cccs2)CC1 ZINC000530817773 490926731 /nfs/dbraw/zinc/92/67/31/490926731.db2.gz XXUNDLZSTIARGX-GJZGRUSLSA-N 2 2 352.504 0.483 20 0 FCADLP CNc1nc(NC2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]c2ccccc21 ZINC000518689612 490948694 /nfs/dbraw/zinc/94/86/94/490948694.db2.gz CFIUBQMZGKYDRA-UHFFFAOYSA-N 2 2 356.474 0.870 20 0 FCADLP COc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1OC ZINC000518733194 490949390 /nfs/dbraw/zinc/94/93/90/490949390.db2.gz XSEGKPUHNZYYMV-AWEZNQCLSA-N 2 2 366.462 0.539 20 0 FCADLP COc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1OC ZINC000518733194 490949392 /nfs/dbraw/zinc/94/93/92/490949392.db2.gz XSEGKPUHNZYYMV-AWEZNQCLSA-N 2 2 366.462 0.539 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC000531295627 490951075 /nfs/dbraw/zinc/95/10/75/490951075.db2.gz AYYRFCAHBMEKII-QGZVFWFLSA-N 2 2 373.457 0.707 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC000531295627 490951077 /nfs/dbraw/zinc/95/10/77/490951077.db2.gz AYYRFCAHBMEKII-QGZVFWFLSA-N 2 2 373.457 0.707 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000518796805 490951883 /nfs/dbraw/zinc/95/18/83/490951883.db2.gz ALSFDKXOXGMFKT-IAGOWNOFSA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000518796805 490951885 /nfs/dbraw/zinc/95/18/85/490951885.db2.gz ALSFDKXOXGMFKT-IAGOWNOFSA-N 2 2 360.458 0.083 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382240 490955198 /nfs/dbraw/zinc/95/51/98/490955198.db2.gz IQPWUBIYYCBVOT-SJORKVTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382240 490955199 /nfs/dbraw/zinc/95/51/99/490955199.db2.gz IQPWUBIYYCBVOT-SJORKVTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382240 490955201 /nfs/dbraw/zinc/95/52/01/490955201.db2.gz IQPWUBIYYCBVOT-SJORKVTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382240 490955202 /nfs/dbraw/zinc/95/52/02/490955202.db2.gz IQPWUBIYYCBVOT-SJORKVTESA-N 2 2 367.538 0.023 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@H+](C)CC1 ZINC000519033545 490959822 /nfs/dbraw/zinc/95/98/22/490959822.db2.gz SKVSPJJEKRAETD-RHSMWYFYSA-N 2 2 358.442 0.828 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000519033545 490959825 /nfs/dbraw/zinc/95/98/25/490959825.db2.gz SKVSPJJEKRAETD-RHSMWYFYSA-N 2 2 358.442 0.828 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000519175467 490964281 /nfs/dbraw/zinc/96/42/81/490964281.db2.gz BMWSCKYSOMXRRY-YRGRVCCFSA-N 2 2 366.487 0.423 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000519175467 490964283 /nfs/dbraw/zinc/96/42/83/490964283.db2.gz BMWSCKYSOMXRRY-YRGRVCCFSA-N 2 2 366.487 0.423 20 0 FCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000544372270 490966799 /nfs/dbraw/zinc/96/67/99/490966799.db2.gz XTDPYJJXDHOWAF-CQSZACIVSA-N 2 2 357.476 0.195 20 0 FCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000544372270 490966802 /nfs/dbraw/zinc/96/68/02/490966802.db2.gz XTDPYJJXDHOWAF-CQSZACIVSA-N 2 2 357.476 0.195 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531663809 490970134 /nfs/dbraw/zinc/97/01/34/490970134.db2.gz XLHQFPXRCXXAHC-CVEARBPZSA-N 2 2 356.536 0.978 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC(n2cc[nH+]c2)C1 ZINC000531710066 490971249 /nfs/dbraw/zinc/97/12/49/490971249.db2.gz KRBMQWKRBUIEMI-UHFFFAOYSA-N 2 2 368.441 0.790 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@H]([NH+]4CCOCC4)CC3)nc[nH+]2)CC1=O ZINC000519424889 490971745 /nfs/dbraw/zinc/97/17/45/490971745.db2.gz FHIQQADZTNSQCQ-INIZCTEOSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000532230235 490989697 /nfs/dbraw/zinc/98/96/97/490989697.db2.gz CNBAZDHNYRNTJS-OAHLLOKOSA-N 2 2 369.429 0.041 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000532230235 490989698 /nfs/dbraw/zinc/98/96/98/490989698.db2.gz CNBAZDHNYRNTJS-OAHLLOKOSA-N 2 2 369.429 0.041 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000532574685 490994560 /nfs/dbraw/zinc/99/45/60/490994560.db2.gz AQZMHFWBEPBZNL-KRWDZBQOSA-N 2 2 360.502 0.975 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000532574685 490994561 /nfs/dbraw/zinc/99/45/61/490994561.db2.gz AQZMHFWBEPBZNL-KRWDZBQOSA-N 2 2 360.502 0.975 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554061191 491174369 /nfs/dbraw/zinc/17/43/69/491174369.db2.gz IQQIHAVAJQBVKY-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000569674449 491180495 /nfs/dbraw/zinc/18/04/95/491180495.db2.gz PXACSTURFXIZFC-LSDHHAIUSA-N 2 2 374.489 0.918 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000569674962 491180710 /nfs/dbraw/zinc/18/07/10/491180710.db2.gz DHLZLOYXVUOMGV-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720901 491185679 /nfs/dbraw/zinc/18/56/79/491185679.db2.gz UOMMUBDEGKHVCZ-ZBFHGGJFSA-N 2 2 367.519 0.396 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720901 491185681 /nfs/dbraw/zinc/18/56/81/491185681.db2.gz UOMMUBDEGKHVCZ-ZBFHGGJFSA-N 2 2 367.519 0.396 20 0 FCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)C2)CC1 ZINC000557368566 491369781 /nfs/dbraw/zinc/36/97/81/491369781.db2.gz LZXXGJRFDWTPGR-QGZVFWFLSA-N 2 2 361.490 0.970 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000572523765 491376462 /nfs/dbraw/zinc/37/64/62/491376462.db2.gz MGOKDWKZTCYSEX-CYBMUJFWSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000572523765 491376464 /nfs/dbraw/zinc/37/64/64/491376464.db2.gz MGOKDWKZTCYSEX-CYBMUJFWSA-N 2 2 351.447 0.999 20 0 FCADLP O=C(NCC(=O)N1CC[NH2+]CC1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000572586242 491380086 /nfs/dbraw/zinc/38/00/86/491380086.db2.gz BPXPFUKDAPDBQK-UHFFFAOYSA-N 2 2 370.457 0.357 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000565529766 491382237 /nfs/dbraw/zinc/38/22/37/491382237.db2.gz WKZQDSQGIJPTBZ-UHFFFAOYSA-N 2 2 353.511 0.618 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000557583495 491385010 /nfs/dbraw/zinc/38/50/10/491385010.db2.gz UXPQSGJETFHPNX-IRXDYDNUSA-N 2 2 373.501 0.769 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000660280927 493339186 /nfs/dbraw/zinc/33/91/86/493339186.db2.gz KQONFYXAHWAAIP-JKSUJKDBSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000660280927 493339190 /nfs/dbraw/zinc/33/91/90/493339190.db2.gz KQONFYXAHWAAIP-JKSUJKDBSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000572699678 491387134 /nfs/dbraw/zinc/38/71/34/491387134.db2.gz BPZKPMDTHLAAJA-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CCN2C1=O ZINC000565610677 491389015 /nfs/dbraw/zinc/38/90/15/491389015.db2.gz YDPSKGGOKZGTOL-CHWSQXEVSA-N 2 2 362.821 0.441 20 0 FCADLP C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000673519416 493339834 /nfs/dbraw/zinc/33/98/34/493339834.db2.gz NREWRPPBTVNCLC-HOCLYGCPSA-N 2 2 352.454 0.375 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000668359838 493339877 /nfs/dbraw/zinc/33/98/77/493339877.db2.gz HUNDDQFYPHIGEY-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000668359838 493339880 /nfs/dbraw/zinc/33/98/80/493339880.db2.gz HUNDDQFYPHIGEY-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000557708562 491393387 /nfs/dbraw/zinc/39/33/87/491393387.db2.gz RJTHXLKVACERKN-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000557708562 491393388 /nfs/dbraw/zinc/39/33/88/491393388.db2.gz RJTHXLKVACERKN-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000557740445 491395605 /nfs/dbraw/zinc/39/56/05/491395605.db2.gz CIWOHSXTASUPFT-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000557740445 491395606 /nfs/dbraw/zinc/39/56/06/491395606.db2.gz CIWOHSXTASUPFT-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000557740445 491395607 /nfs/dbraw/zinc/39/56/07/491395607.db2.gz CIWOHSXTASUPFT-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000557740445 491395608 /nfs/dbraw/zinc/39/56/08/491395608.db2.gz CIWOHSXTASUPFT-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000565765500 491398022 /nfs/dbraw/zinc/39/80/22/491398022.db2.gz SREJLENGMUXOJL-BRWVUGGUSA-N 3 2 353.511 0.039 20 0 FCADLP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000565765500 491398024 /nfs/dbraw/zinc/39/80/24/491398024.db2.gz SREJLENGMUXOJL-BRWVUGGUSA-N 3 2 353.511 0.039 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000565833167 491401876 /nfs/dbraw/zinc/40/18/76/491401876.db2.gz OXUGGJQKSZVJFF-KRWDZBQOSA-N 2 2 370.457 0.545 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[NH+]1CCOCC1 ZINC000558060937 491410875 /nfs/dbraw/zinc/41/08/75/491410875.db2.gz NSSGLOUFLINPMM-UHFFFAOYSA-N 2 2 351.451 0.153 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000558137062 491416071 /nfs/dbraw/zinc/41/60/71/491416071.db2.gz LDNZOXXTKRWNEX-UHFFFAOYSA-N 2 2 368.522 0.549 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558229480 491421100 /nfs/dbraw/zinc/42/11/00/491421100.db2.gz CPLCYUOHLRSZES-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558229480 491421102 /nfs/dbraw/zinc/42/11/02/491421102.db2.gz CPLCYUOHLRSZES-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000566166149 491421861 /nfs/dbraw/zinc/42/18/61/491421861.db2.gz QONVLAUXOKGFAQ-KRWDZBQOSA-N 2 2 362.474 0.201 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000566166149 491421864 /nfs/dbraw/zinc/42/18/64/491421864.db2.gz QONVLAUXOKGFAQ-KRWDZBQOSA-N 2 2 362.474 0.201 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000573307905 491425136 /nfs/dbraw/zinc/42/51/36/491425136.db2.gz ZBYSHWCLLHBFPM-DLBZAZTESA-N 2 2 359.474 0.634 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000573307905 491425138 /nfs/dbraw/zinc/42/51/38/491425138.db2.gz ZBYSHWCLLHBFPM-DLBZAZTESA-N 2 2 359.474 0.634 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428732 491432410 /nfs/dbraw/zinc/43/24/10/491432410.db2.gz RNMJTXPDVNJKCF-RBUKOAKNSA-N 2 2 360.502 0.722 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428732 491432411 /nfs/dbraw/zinc/43/24/11/491432411.db2.gz RNMJTXPDVNJKCF-RBUKOAKNSA-N 2 2 360.502 0.722 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000573451396 491434146 /nfs/dbraw/zinc/43/41/46/491434146.db2.gz SPZNZXVKFQDVOR-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000573451396 491434147 /nfs/dbraw/zinc/43/41/47/491434147.db2.gz SPZNZXVKFQDVOR-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000573475900 491435773 /nfs/dbraw/zinc/43/57/73/491435773.db2.gz BJOXRVDIMAOLFH-QGZVFWFLSA-N 2 2 371.485 0.578 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000573643821 491445812 /nfs/dbraw/zinc/44/58/12/491445812.db2.gz KJWKNEZVFXMSAS-OAHLLOKOSA-N 2 2 373.457 0.806 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000566497219 491448865 /nfs/dbraw/zinc/44/88/65/491448865.db2.gz YAKRVVNSPSQLFK-RRFJBIMHSA-N 2 2 373.457 0.584 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000566497219 491448866 /nfs/dbraw/zinc/44/88/66/491448866.db2.gz YAKRVVNSPSQLFK-RRFJBIMHSA-N 2 2 373.457 0.584 20 0 FCADLP COc1ccc([C@H](NC(=O)C(=O)N(C)CCC[NH3+])c2[nH+]ccn2C)cc1 ZINC000566510812 491450269 /nfs/dbraw/zinc/45/02/69/491450269.db2.gz BXPLOVZCZSDILG-HNNXBMFYSA-N 2 2 359.430 0.442 20 0 FCADLP CSC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000566518888 491451064 /nfs/dbraw/zinc/45/10/64/491451064.db2.gz CQFRZRWEKQHAKF-ZDUSSCGKSA-N 2 2 356.536 0.529 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000566668184 491459232 /nfs/dbraw/zinc/45/92/32/491459232.db2.gz APXLDTPQTFIYTD-LSDHHAIUSA-N 2 2 354.495 0.380 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)C[C@H](C)O1 ZINC000566673699 491459440 /nfs/dbraw/zinc/45/94/40/491459440.db2.gz XJRAMZGSWIOTEY-JZXOWHBKSA-N 2 2 364.490 0.478 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573902370 491461711 /nfs/dbraw/zinc/46/17/11/491461711.db2.gz JBAIFKZWUDOXNZ-MSOLQXFVSA-N 2 2 372.469 0.988 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573902373 491461746 /nfs/dbraw/zinc/46/17/46/491461746.db2.gz JBAIFKZWUDOXNZ-ZWKOTPCHSA-N 2 2 372.469 0.988 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000573906254 491461914 /nfs/dbraw/zinc/46/19/14/491461914.db2.gz CDWKMNZSNIXQAK-GOSISDBHSA-N 2 2 373.501 0.265 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000559326805 491464561 /nfs/dbraw/zinc/46/45/61/491464561.db2.gz CATFCEOGRWNMDR-UHFFFAOYSA-N 2 2 368.522 0.639 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000559364375 491467322 /nfs/dbraw/zinc/46/73/22/491467322.db2.gz NDMQCVDMIZUIIV-ZIAGYGMSSA-N 2 2 359.430 0.748 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382286 491468986 /nfs/dbraw/zinc/46/89/86/491468986.db2.gz UVARRPVGSGAPKO-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382286 491468989 /nfs/dbraw/zinc/46/89/89/491468989.db2.gz UVARRPVGSGAPKO-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000559401419 491470326 /nfs/dbraw/zinc/47/03/26/491470326.db2.gz ADRBNUZKVQZRFA-SJORKVTESA-N 2 2 367.453 0.705 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000559401419 491470329 /nfs/dbraw/zinc/47/03/29/491470329.db2.gz ADRBNUZKVQZRFA-SJORKVTESA-N 2 2 367.453 0.705 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000566859695 491471715 /nfs/dbraw/zinc/47/17/15/491471715.db2.gz CCNOVFMSXWCDCM-HZPDHXFCSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000559462924 491475568 /nfs/dbraw/zinc/47/55/68/491475568.db2.gz UIFVRCOGFVKQAM-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000559507113 491478460 /nfs/dbraw/zinc/47/84/60/491478460.db2.gz JOLHRZWFAIYIDL-HZPDHXFCSA-N 2 2 370.538 0.789 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000559550541 491480226 /nfs/dbraw/zinc/48/02/26/491480226.db2.gz MVTYDKLKHWCBNK-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000559562410 491481657 /nfs/dbraw/zinc/48/16/57/491481657.db2.gz MVQZXFUOBYQELE-OAHLLOKOSA-N 2 2 361.490 0.973 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000567046223 491482450 /nfs/dbraw/zinc/48/24/50/491482450.db2.gz VTYSYTJRWPIBNT-MSOLQXFVSA-N 2 2 374.485 0.434 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)[NH+]1CC(C)C1 ZINC000567122641 491487376 /nfs/dbraw/zinc/48/73/76/491487376.db2.gz NCVXVNUEHDZVON-CQSZACIVSA-N 2 2 368.503 0.805 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000567163815 491489462 /nfs/dbraw/zinc/48/94/62/491489462.db2.gz CDMIMMCIMHJYEU-YJBOKZPZSA-N 2 2 374.485 0.567 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000559670112 491490595 /nfs/dbraw/zinc/49/05/95/491490595.db2.gz FDOBSXHYWPQPCE-HOCLYGCPSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000559670112 491490597 /nfs/dbraw/zinc/49/05/97/491490597.db2.gz FDOBSXHYWPQPCE-HOCLYGCPSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000559780792 491499272 /nfs/dbraw/zinc/49/92/72/491499272.db2.gz LLWDQMBPFDTTAT-CYBMUJFWSA-N 2 2 350.467 0.093 20 0 FCADLP Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000574512663 491501902 /nfs/dbraw/zinc/50/19/02/491501902.db2.gz ZCAAZDMRGCYUQY-ZOBUZTSGSA-N 2 2 367.465 0.924 20 0 FCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000559884621 491507544 /nfs/dbraw/zinc/50/75/44/491507544.db2.gz LKXCMGRVAUDZCP-GOSISDBHSA-N 2 2 367.453 0.854 20 0 FCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000559884621 491507546 /nfs/dbraw/zinc/50/75/46/491507546.db2.gz LKXCMGRVAUDZCP-GOSISDBHSA-N 2 2 367.453 0.854 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000559902912 491508514 /nfs/dbraw/zinc/50/85/14/491508514.db2.gz VTKSBXGFUFNEBT-LSDHHAIUSA-N 2 2 359.474 0.786 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000559902912 491508516 /nfs/dbraw/zinc/50/85/16/491508516.db2.gz VTKSBXGFUFNEBT-LSDHHAIUSA-N 2 2 359.474 0.786 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC000574656522 491511425 /nfs/dbraw/zinc/51/14/25/491511425.db2.gz NIVYZMWYOHTWDB-KRWDZBQOSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC000574656522 491511427 /nfs/dbraw/zinc/51/14/27/491511427.db2.gz NIVYZMWYOHTWDB-KRWDZBQOSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559968129 491512238 /nfs/dbraw/zinc/51/22/38/491512238.db2.gz WEDRSDQKAHDSJL-KFWWJZLASA-N 2 2 351.451 0.003 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559968129 491512241 /nfs/dbraw/zinc/51/22/41/491512241.db2.gz WEDRSDQKAHDSJL-KFWWJZLASA-N 2 2 351.451 0.003 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000574668373 491512431 /nfs/dbraw/zinc/51/24/31/491512431.db2.gz RNMADVCVESEPLW-HNNXBMFYSA-N 2 2 365.909 0.901 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000574668373 491512434 /nfs/dbraw/zinc/51/24/34/491512434.db2.gz RNMADVCVESEPLW-HNNXBMFYSA-N 2 2 365.909 0.901 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023809 491516315 /nfs/dbraw/zinc/51/63/15/491516315.db2.gz FNAMNKLGJPEUFJ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023809 491516318 /nfs/dbraw/zinc/51/63/18/491516318.db2.gz FNAMNKLGJPEUFJ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023809 491516321 /nfs/dbraw/zinc/51/63/21/491516321.db2.gz FNAMNKLGJPEUFJ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023809 491516324 /nfs/dbraw/zinc/51/63/24/491516324.db2.gz FNAMNKLGJPEUFJ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567624783 491518769 /nfs/dbraw/zinc/51/87/69/491518769.db2.gz FBWHIPMPGVLHOR-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567624783 491518770 /nfs/dbraw/zinc/51/87/70/491518770.db2.gz FBWHIPMPGVLHOR-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)N2CC[NH+](C3CCC3)CC2)CC(=O)N1C ZINC000574834265 491523349 /nfs/dbraw/zinc/52/33/49/491523349.db2.gz KJZTYCSQLXERKY-WMLDXEAASA-N 2 2 374.489 0.819 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000560302404 491529717 /nfs/dbraw/zinc/52/97/17/491529717.db2.gz IBYAHLLGMXQTOD-UHFFFAOYSA-N 2 2 356.430 0.523 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000560299325 491529833 /nfs/dbraw/zinc/52/98/33/491529833.db2.gz KWEZEPBLLFBAGM-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000575043375 491535252 /nfs/dbraw/zinc/53/52/52/491535252.db2.gz XVCXFQUHBHKWIJ-AWEZNQCLSA-N 2 2 352.435 0.510 20 0 FCADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)s1 ZINC000567872151 491536532 /nfs/dbraw/zinc/53/65/32/491536532.db2.gz LPEHKSGDUHMTHA-CQSZACIVSA-N 2 2 352.508 0.182 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567904594 491539871 /nfs/dbraw/zinc/53/98/71/491539871.db2.gz FQSDWVWUFQLHCF-DLBZAZTESA-N 2 2 364.515 0.455 20 0 FCADLP C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000567901688 491539922 /nfs/dbraw/zinc/53/99/22/491539922.db2.gz BYBGBJVSACOSDM-ZFWWWQNUSA-N 2 2 353.488 0.831 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000560505609 491543044 /nfs/dbraw/zinc/54/30/44/491543044.db2.gz PRMPLZONMUWBRM-IIHSZXCVSA-N 2 2 353.507 0.693 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000560525086 491543962 /nfs/dbraw/zinc/54/39/62/491543962.db2.gz HCHGGEQSSYQDOS-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000560525086 491543963 /nfs/dbraw/zinc/54/39/63/491543963.db2.gz HCHGGEQSSYQDOS-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000568062346 491551193 /nfs/dbraw/zinc/55/11/93/491551193.db2.gz YCYHPIILWWHLHQ-KRWDZBQOSA-N 2 2 373.501 0.954 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCC1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000560734832 491554213 /nfs/dbraw/zinc/55/42/13/491554213.db2.gz HZQUBADCUNRWFA-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000568188434 491557808 /nfs/dbraw/zinc/55/78/08/491557808.db2.gz HABNTGNMAAYOHO-RHSMWYFYSA-N 2 2 367.413 0.887 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000560906851 491564566 /nfs/dbraw/zinc/56/45/66/491564566.db2.gz JQMJRJSXYHOFGP-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000560906851 491564568 /nfs/dbraw/zinc/56/45/68/491564568.db2.gz JQMJRJSXYHOFGP-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000560906851 491564570 /nfs/dbraw/zinc/56/45/70/491564570.db2.gz JQMJRJSXYHOFGP-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000560906851 491564571 /nfs/dbraw/zinc/56/45/71/491564571.db2.gz JQMJRJSXYHOFGP-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000568267164 491564641 /nfs/dbraw/zinc/56/46/41/491564641.db2.gz BSVVHQHFZFNRPG-ROUUACIJSA-N 2 2 358.486 0.713 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000568267164 491564642 /nfs/dbraw/zinc/56/46/42/491564642.db2.gz BSVVHQHFZFNRPG-ROUUACIJSA-N 2 2 358.486 0.713 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000575871696 491566596 /nfs/dbraw/zinc/56/65/96/491566596.db2.gz MGKWQZSWRXTEPU-GOSISDBHSA-N 2 2 366.469 0.772 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000575871697 491566900 /nfs/dbraw/zinc/56/69/00/491566900.db2.gz MGKWQZSWRXTEPU-SFHVURJKSA-N 2 2 366.469 0.772 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576014775 491576357 /nfs/dbraw/zinc/57/63/57/491576357.db2.gz PNICWOUGGOUHDC-SJORKVTESA-N 2 2 354.520 0.589 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000576014774 491576435 /nfs/dbraw/zinc/57/64/35/491576435.db2.gz PNICWOUGGOUHDC-IRXDYDNUSA-N 2 2 354.520 0.589 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000561180938 491580991 /nfs/dbraw/zinc/58/09/91/491580991.db2.gz IZNIDEZPXNBQFB-MRXNPFEDSA-N 2 2 351.495 0.372 20 0 FCADLP CC1(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC000576133528 491584750 /nfs/dbraw/zinc/58/47/50/491584750.db2.gz LSHGGBBZKVSZKF-UHFFFAOYSA-N 2 2 374.489 0.562 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000561224398 491585991 /nfs/dbraw/zinc/58/59/91/491585991.db2.gz VWXSDUXENARZIN-KRWDZBQOSA-N 2 2 361.490 0.426 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000568608149 491590907 /nfs/dbraw/zinc/59/09/07/491590907.db2.gz OIHCEXXTGWIMGY-CYBMUJFWSA-N 2 2 368.865 0.938 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000568608149 491590911 /nfs/dbraw/zinc/59/09/11/491590911.db2.gz OIHCEXXTGWIMGY-CYBMUJFWSA-N 2 2 368.865 0.938 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121783 491591770 /nfs/dbraw/zinc/59/17/70/491591770.db2.gz IYKAJZURLRCVCU-RTBURBONSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121783 491591772 /nfs/dbraw/zinc/59/17/72/491591772.db2.gz IYKAJZURLRCVCU-RTBURBONSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121783 491591775 /nfs/dbraw/zinc/59/17/75/491591775.db2.gz IYKAJZURLRCVCU-RTBURBONSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121783 491591776 /nfs/dbraw/zinc/59/17/76/491591776.db2.gz IYKAJZURLRCVCU-RTBURBONSA-N 2 2 354.466 0.992 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584468757 491594350 /nfs/dbraw/zinc/59/43/50/491594350.db2.gz NOMSBUQMDCKCNB-DGCLKSJQSA-N 2 2 374.894 0.108 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584468757 491594353 /nfs/dbraw/zinc/59/43/53/491594353.db2.gz NOMSBUQMDCKCNB-DGCLKSJQSA-N 2 2 374.894 0.108 20 0 FCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000568635576 491595529 /nfs/dbraw/zinc/59/55/29/491595529.db2.gz UJIZYTVGUVIEIF-KRWDZBQOSA-N 2 2 356.470 0.514 20 0 FCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000568635576 491595531 /nfs/dbraw/zinc/59/55/31/491595531.db2.gz UJIZYTVGUVIEIF-KRWDZBQOSA-N 2 2 356.470 0.514 20 0 FCADLP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568635576 491595534 /nfs/dbraw/zinc/59/55/34/491595534.db2.gz UJIZYTVGUVIEIF-KRWDZBQOSA-N 2 2 356.470 0.514 20 0 FCADLP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000568635576 491595536 /nfs/dbraw/zinc/59/55/36/491595536.db2.gz UJIZYTVGUVIEIF-KRWDZBQOSA-N 2 2 356.470 0.514 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000660467366 493353962 /nfs/dbraw/zinc/35/39/62/493353962.db2.gz FUTTZRDTIZZOLN-KRWDZBQOSA-N 2 2 366.506 0.302 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000660467366 493353963 /nfs/dbraw/zinc/35/39/63/493353963.db2.gz FUTTZRDTIZZOLN-KRWDZBQOSA-N 2 2 366.506 0.302 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000568661131 491598142 /nfs/dbraw/zinc/59/81/42/491598142.db2.gz HDLVBQWZCDCKRY-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP [NH3+]C1(CNC(=O)[C@H]2CCCS2(=O)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000577191412 491600698 /nfs/dbraw/zinc/60/06/98/491600698.db2.gz KCMBMGBZZJCBQZ-MRXNPFEDSA-N 2 2 365.499 0.673 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000561367796 491601957 /nfs/dbraw/zinc/60/19/57/491601957.db2.gz SADVAZQXNGJHPA-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC(CNC(=O)[C@H](C)[NH+]1CC(C)C1)CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000568762702 491607874 /nfs/dbraw/zinc/60/78/74/491607874.db2.gz HDAOGFRCPRVJSU-HOTGVXAUSA-N 2 2 368.522 0.304 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000577269950 491608123 /nfs/dbraw/zinc/60/81/23/491608123.db2.gz YGUJWYGZLGYIDS-SQNIBIBYSA-N 2 2 374.485 0.562 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473436 493355027 /nfs/dbraw/zinc/35/50/27/493355027.db2.gz HJOOIUBZJJFEDX-ROUUACIJSA-N 2 2 366.506 0.300 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473436 493355031 /nfs/dbraw/zinc/35/50/31/493355031.db2.gz HJOOIUBZJJFEDX-ROUUACIJSA-N 2 2 366.506 0.300 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1=O ZINC000568894110 491617889 /nfs/dbraw/zinc/61/78/89/491617889.db2.gz LOQMVMOFENIJDH-HUUCEWRRSA-N 2 2 351.451 0.130 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1=O ZINC000568894110 491617892 /nfs/dbraw/zinc/61/78/92/491617892.db2.gz LOQMVMOFENIJDH-HUUCEWRRSA-N 2 2 351.451 0.130 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568902175 491618747 /nfs/dbraw/zinc/61/87/47/491618747.db2.gz XPOFJWVNZQYUJJ-NHYWBVRUSA-N 2 2 368.840 0.681 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568902175 491618750 /nfs/dbraw/zinc/61/87/50/491618750.db2.gz XPOFJWVNZQYUJJ-NHYWBVRUSA-N 2 2 368.840 0.681 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568902173 491618906 /nfs/dbraw/zinc/61/89/06/491618906.db2.gz XPOFJWVNZQYUJJ-ABAIWWIYSA-N 2 2 368.840 0.681 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568902173 491618909 /nfs/dbraw/zinc/61/89/09/491618909.db2.gz XPOFJWVNZQYUJJ-ABAIWWIYSA-N 2 2 368.840 0.681 20 0 FCADLP [NH3+][C@@H](CCC(=O)NCC(=O)NCC[NH+]1CCOCC1)CC1CCCCC1 ZINC000576516206 491621549 /nfs/dbraw/zinc/62/15/49/491621549.db2.gz LCAHTDJRZPICTM-KRWDZBQOSA-N 2 2 368.522 0.629 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)C1 ZINC000577445450 491623000 /nfs/dbraw/zinc/62/30/00/491623000.db2.gz YYBNPOUVONBPRO-ZHALLVOQSA-N 2 2 366.550 0.754 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)C1 ZINC000577445450 491623003 /nfs/dbraw/zinc/62/30/03/491623003.db2.gz YYBNPOUVONBPRO-ZHALLVOQSA-N 2 2 366.550 0.754 20 0 FCADLP [NH3+]C[C@H](C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000568982119 491623806 /nfs/dbraw/zinc/62/38/06/491623806.db2.gz HOZPZOQFWQZTSN-INIZCTEOSA-N 2 2 354.458 0.830 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577476203 491624276 /nfs/dbraw/zinc/62/42/76/491624276.db2.gz YNRAJFHQPCNUQX-HRCADAONSA-N 2 2 352.479 0.086 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577476202 491624452 /nfs/dbraw/zinc/62/44/52/491624452.db2.gz YNRAJFHQPCNUQX-ARFHVFGLSA-N 2 2 352.479 0.086 20 0 FCADLP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000576578726 491626082 /nfs/dbraw/zinc/62/60/82/491626082.db2.gz KNSWKCOTZHOYTK-OLIUUXKNSA-N 2 2 365.474 0.980 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594369 491627986 /nfs/dbraw/zinc/62/79/86/491627986.db2.gz UONFWZCZYGYZAL-LJQANCHMSA-N 3 2 356.555 0.416 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594369 491627988 /nfs/dbraw/zinc/62/79/88/491627988.db2.gz UONFWZCZYGYZAL-LJQANCHMSA-N 3 2 356.555 0.416 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576649956 491633074 /nfs/dbraw/zinc/63/30/74/491633074.db2.gz VOGSOLWRRRRCGR-PVAVHDDUSA-N 2 2 374.485 0.896 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576649956 491633076 /nfs/dbraw/zinc/63/30/76/491633076.db2.gz VOGSOLWRRRRCGR-PVAVHDDUSA-N 2 2 374.485 0.896 20 0 FCADLP COc1ccc([C@H](NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000569123765 491636157 /nfs/dbraw/zinc/63/61/57/491636157.db2.gz XQCNBTCKWPFUJI-WWGRRREGSA-N 2 2 373.457 0.876 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000569128977 491636231 /nfs/dbraw/zinc/63/62/31/491636231.db2.gz PNDYWLIBPQFRIY-XHSDSOJGSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000569128977 491636234 /nfs/dbraw/zinc/63/62/34/491636234.db2.gz PNDYWLIBPQFRIY-XHSDSOJGSA-N 2 2 359.474 0.880 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577727135 491646378 /nfs/dbraw/zinc/64/63/78/491646378.db2.gz CRUWMQLWGWEPLL-BZUAXINKSA-N 2 2 354.495 0.236 20 0 FCADLP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000577742234 491647697 /nfs/dbraw/zinc/64/76/97/491647697.db2.gz FWPWLOARTBTHGL-OALUTQOASA-N 2 2 363.502 0.783 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000576863721 491651570 /nfs/dbraw/zinc/65/15/70/491651570.db2.gz PBLSYFAJMBPHKV-AWEZNQCLSA-N 2 2 353.488 0.597 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000576904170 491655456 /nfs/dbraw/zinc/65/54/56/491655456.db2.gz NQROHNYZFGFADC-QGZVFWFLSA-N 2 2 368.522 0.261 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000576904170 491655459 /nfs/dbraw/zinc/65/54/59/491655459.db2.gz NQROHNYZFGFADC-QGZVFWFLSA-N 2 2 368.522 0.261 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC000577841635 491656419 /nfs/dbraw/zinc/65/64/19/491656419.db2.gz ZZFYRRKJYZYBPA-UHFFFAOYSA-N 2 2 373.461 0.904 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000576938721 491658175 /nfs/dbraw/zinc/65/81/75/491658175.db2.gz STROCRRMKLRNTA-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP [NH3+]CCC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000576999336 491663305 /nfs/dbraw/zinc/66/33/05/491663305.db2.gz WAFTXVATWOJYLG-UHFFFAOYSA-N 2 2 361.494 0.369 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000577928902 491663402 /nfs/dbraw/zinc/66/34/02/491663402.db2.gz BSQONKNIPPXLJF-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000577928902 491663404 /nfs/dbraw/zinc/66/34/04/491663404.db2.gz BSQONKNIPPXLJF-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000577928902 491663408 /nfs/dbraw/zinc/66/34/08/491663408.db2.gz BSQONKNIPPXLJF-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000577928902 491663412 /nfs/dbraw/zinc/66/34/12/491663412.db2.gz BSQONKNIPPXLJF-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000576993644 491663664 /nfs/dbraw/zinc/66/36/64/491663664.db2.gz CNHWNHCCZHEBDL-AWEZNQCLSA-N 2 2 360.458 0.828 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000569474103 491664661 /nfs/dbraw/zinc/66/46/61/491664661.db2.gz UGFKMGYQFUWVIP-HOCLYGCPSA-N 2 2 369.487 0.347 20 0 FCADLP C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000578099171 491669877 /nfs/dbraw/zinc/66/98/77/491669877.db2.gz GENCSSPRYPNHFS-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000578099171 491669878 /nfs/dbraw/zinc/66/98/78/491669878.db2.gz GENCSSPRYPNHFS-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000578122386 491670318 /nfs/dbraw/zinc/67/03/18/491670318.db2.gz AMCXJUKGGGUWBA-JKSUJKDBSA-N 2 2 354.495 0.047 20 0 FCADLP CC1CCC(NC(=O)C[NH+]2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000578265185 491673506 /nfs/dbraw/zinc/67/35/06/491673506.db2.gz BRDKGOXFOCRRAB-FAFZWHIHSA-N 2 2 366.550 0.754 20 0 FCADLP CC1CCC(NC(=O)C[NH+]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000578265185 491673507 /nfs/dbraw/zinc/67/35/07/491673507.db2.gz BRDKGOXFOCRRAB-FAFZWHIHSA-N 2 2 366.550 0.754 20 0 FCADLP CC1CCC(NC(=O)C[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000578265186 491673516 /nfs/dbraw/zinc/67/35/16/491673516.db2.gz BRDKGOXFOCRRAB-TVPLGVNVSA-N 2 2 366.550 0.754 20 0 FCADLP CC1CCC(NC(=O)C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000578265186 491673517 /nfs/dbraw/zinc/67/35/17/491673517.db2.gz BRDKGOXFOCRRAB-TVPLGVNVSA-N 2 2 366.550 0.754 20 0 FCADLP O=C(C[N@@H+](CCO)CCCO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000578349434 491675390 /nfs/dbraw/zinc/67/53/90/491675390.db2.gz OCZMSIAFGWDSOQ-UHFFFAOYSA-N 2 2 351.447 0.134 20 0 FCADLP O=C(C[N@H+](CCO)CCCO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000578349434 491675391 /nfs/dbraw/zinc/67/53/91/491675391.db2.gz OCZMSIAFGWDSOQ-UHFFFAOYSA-N 2 2 351.447 0.134 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000578379864 491675910 /nfs/dbraw/zinc/67/59/10/491675910.db2.gz IWZWJZSYMCWLDD-KBRIMQKVSA-N 2 2 362.449 0.979 20 0 FCADLP CCN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000578379864 491675911 /nfs/dbraw/zinc/67/59/11/491675911.db2.gz IWZWJZSYMCWLDD-KBRIMQKVSA-N 2 2 362.449 0.979 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000578774768 491684202 /nfs/dbraw/zinc/68/42/02/491684202.db2.gz OWSHZEWSGVPRRO-OAHLLOKOSA-N 2 2 373.457 0.755 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000578774768 491684203 /nfs/dbraw/zinc/68/42/03/491684203.db2.gz OWSHZEWSGVPRRO-OAHLLOKOSA-N 2 2 373.457 0.755 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000578860180 491685869 /nfs/dbraw/zinc/68/58/69/491685869.db2.gz NYLBCYFGYZAXFE-IJEWVQPXSA-N 2 2 371.503 0.154 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000578860180 491685870 /nfs/dbraw/zinc/68/58/70/491685870.db2.gz NYLBCYFGYZAXFE-IJEWVQPXSA-N 2 2 371.503 0.154 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC000578992518 491688484 /nfs/dbraw/zinc/68/84/84/491688484.db2.gz OFZJQCYCXDGTKG-LULLPPNCSA-N 3 2 353.470 0.997 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H](C)O1 ZINC000579103106 491691031 /nfs/dbraw/zinc/69/10/31/491691031.db2.gz DIEHHIAMBZGLMN-APIJFGDWSA-N 2 2 353.429 0.930 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000579216144 491693346 /nfs/dbraw/zinc/69/33/46/491693346.db2.gz OFDAYLWUOMBDKJ-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000579216144 491693347 /nfs/dbraw/zinc/69/33/47/491693347.db2.gz OFDAYLWUOMBDKJ-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CCC(=O)NC(N)=O)CC2)cc1 ZINC000579345194 491695983 /nfs/dbraw/zinc/69/59/83/491695983.db2.gz YQQQKMSGFNQUFD-UHFFFAOYSA-N 2 2 361.446 0.784 20 0 FCADLP O=S(=O)(CC[NH2+]CC1(O)CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000579464233 491698324 /nfs/dbraw/zinc/69/83/24/491698324.db2.gz GAXHBPNKUPTJOG-UHFFFAOYSA-N 2 2 368.503 0.428 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000579462040 491698381 /nfs/dbraw/zinc/69/83/81/491698381.db2.gz YLFXWEONBKJEJX-XWTMOSNGSA-N 2 2 356.470 0.697 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000579462040 491698382 /nfs/dbraw/zinc/69/83/82/491698382.db2.gz YLFXWEONBKJEJX-XWTMOSNGSA-N 2 2 356.470 0.697 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000579506352 491699560 /nfs/dbraw/zinc/69/95/60/491699560.db2.gz VUXBCJQRHVUJFM-JKSUJKDBSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000579560916 491700437 /nfs/dbraw/zinc/70/04/37/491700437.db2.gz VIASMCSLXCRLDI-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000579740231 491704442 /nfs/dbraw/zinc/70/44/42/491704442.db2.gz WKWZOTWFZKSGAY-JKSUJKDBSA-N 2 2 356.511 0.447 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000579825516 491706104 /nfs/dbraw/zinc/70/61/04/491706104.db2.gz KCKMBXOGOVROIC-AEFFLSMTSA-N 2 2 356.470 0.460 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000584579875 491708349 /nfs/dbraw/zinc/70/83/49/491708349.db2.gz URUTWHZGUUPONA-SFHVURJKSA-N 2 2 361.490 0.222 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000584642056 491709304 /nfs/dbraw/zinc/70/93/04/491709304.db2.gz VTZSCKBJCMSYLE-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000580184082 491720458 /nfs/dbraw/zinc/72/04/58/491720458.db2.gz ZQJOPGWOQFDFJT-SOUVJXGZSA-N 2 2 362.478 0.382 20 0 FCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000580184082 491720459 /nfs/dbraw/zinc/72/04/59/491720459.db2.gz ZQJOPGWOQFDFJT-SOUVJXGZSA-N 2 2 362.478 0.382 20 0 FCADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)nc1 ZINC000580315827 491725652 /nfs/dbraw/zinc/72/56/52/491725652.db2.gz PMOOXCXIGUIFOC-MRXNPFEDSA-N 2 2 360.487 0.948 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000580431066 491731178 /nfs/dbraw/zinc/73/11/78/491731178.db2.gz BWCYNLHAVZDBIE-CABCVRRESA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000580431066 491731179 /nfs/dbraw/zinc/73/11/79/491731179.db2.gz BWCYNLHAVZDBIE-CABCVRRESA-N 2 2 361.442 0.080 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580660948 491740924 /nfs/dbraw/zinc/74/09/24/491740924.db2.gz XYQAQXZYLZBWLA-INIZCTEOSA-N 2 2 359.474 0.625 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000673810808 493363380 /nfs/dbraw/zinc/36/33/80/493363380.db2.gz QBFAJIBOGZTVHM-MRXNPFEDSA-N 2 2 362.478 0.821 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000673810808 493363383 /nfs/dbraw/zinc/36/33/83/493363383.db2.gz QBFAJIBOGZTVHM-MRXNPFEDSA-N 2 2 362.478 0.821 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580832038 491747710 /nfs/dbraw/zinc/74/77/10/491747710.db2.gz OMCFTAUESLATKK-CABCVRRESA-N 2 2 362.478 0.545 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)c1 ZINC000581063108 491757636 /nfs/dbraw/zinc/75/76/36/491757636.db2.gz WHTCWCZGVWHCIF-UHFFFAOYSA-N 2 2 358.486 0.755 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]3CCCC3)C1)CCC2 ZINC000581154930 491761767 /nfs/dbraw/zinc/76/17/67/491761767.db2.gz PFVSBPMKAGCREM-HOTGVXAUSA-N 2 2 359.474 0.882 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CC[NH2+]C3(C)C)ccn2)CC1 ZINC000581298189 491767723 /nfs/dbraw/zinc/76/77/23/491767723.db2.gz LYWDUJTUVFPNSQ-HNNXBMFYSA-N 2 2 360.462 0.731 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000581408759 491771683 /nfs/dbraw/zinc/77/16/83/491771683.db2.gz TTYHJMUTGGJVRA-MRXNPFEDSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000581408759 491771684 /nfs/dbraw/zinc/77/16/84/491771684.db2.gz TTYHJMUTGGJVRA-MRXNPFEDSA-N 2 2 359.536 0.875 20 0 FCADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581418386 491772004 /nfs/dbraw/zinc/77/20/04/491772004.db2.gz DJHMQRHSOYOOSY-QRVBRYPASA-N 2 2 358.486 0.933 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581479321 491774768 /nfs/dbraw/zinc/77/47/68/491774768.db2.gz RLLOHAPPCQLAPD-HNNXBMFYSA-N 2 2 357.458 0.651 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000581479321 491774769 /nfs/dbraw/zinc/77/47/69/491774769.db2.gz RLLOHAPPCQLAPD-HNNXBMFYSA-N 2 2 357.458 0.651 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000590639853 491782159 /nfs/dbraw/zinc/78/21/59/491782159.db2.gz ZBBDTDNWVLKCTN-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000590639853 491782161 /nfs/dbraw/zinc/78/21/61/491782161.db2.gz ZBBDTDNWVLKCTN-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581751617 491785251 /nfs/dbraw/zinc/78/52/51/491785251.db2.gz IUUYWVSFSWOVKI-IIAWOOMASA-N 2 2 374.489 0.356 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581751617 491785252 /nfs/dbraw/zinc/78/52/52/491785252.db2.gz IUUYWVSFSWOVKI-IIAWOOMASA-N 2 2 374.489 0.356 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000581847817 491787311 /nfs/dbraw/zinc/78/73/11/491787311.db2.gz AEKPEYJQSGLGKS-QGZVFWFLSA-N 2 2 368.522 0.261 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000581847817 491787312 /nfs/dbraw/zinc/78/73/12/491787312.db2.gz AEKPEYJQSGLGKS-QGZVFWFLSA-N 2 2 368.522 0.261 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@@H](C)O1 ZINC000581880243 491788579 /nfs/dbraw/zinc/78/85/79/491788579.db2.gz YYZLSNDPHPCOSK-JAJHDGGNSA-N 2 2 351.447 0.677 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000582170975 491800888 /nfs/dbraw/zinc/80/08/88/491800888.db2.gz SWNMUOQKGFUCNI-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000582300291 491806426 /nfs/dbraw/zinc/80/64/26/491806426.db2.gz SNWQHGULRUVBBU-QGZVFWFLSA-N 2 2 369.469 0.787 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460722 491806613 /nfs/dbraw/zinc/80/66/13/491806613.db2.gz XJFODTQWNBOKTI-IEBWSBKVSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460722 491806614 /nfs/dbraw/zinc/80/66/14/491806614.db2.gz XJFODTQWNBOKTI-IEBWSBKVSA-N 2 2 360.502 0.812 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371288 491809885 /nfs/dbraw/zinc/80/98/85/491809885.db2.gz UBOIQSCKLCQJLG-GJZGRUSLSA-N 2 2 350.850 0.243 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371288 491809886 /nfs/dbraw/zinc/80/98/86/491809886.db2.gz UBOIQSCKLCQJLG-GJZGRUSLSA-N 2 2 350.850 0.243 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000582535973 491816485 /nfs/dbraw/zinc/81/64/85/491816485.db2.gz JWVGLWLHJZWNOK-MRXNPFEDSA-N 2 2 359.474 0.465 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000582540426 491816839 /nfs/dbraw/zinc/81/68/39/491816839.db2.gz DHCHLXRWHUEYHE-UHFFFAOYSA-N 2 2 352.504 0.836 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000582556243 491817593 /nfs/dbraw/zinc/81/75/93/491817593.db2.gz VHOKUTWUDNVPJW-MRXNPFEDSA-N 2 2 371.547 0.876 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000582603736 491819419 /nfs/dbraw/zinc/81/94/19/491819419.db2.gz QGILEQRQUUSMOJ-GOEBONIOSA-N 2 2 359.405 0.633 20 0 FCADLP CC[NH+](CC)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082456 491831076 /nfs/dbraw/zinc/83/10/76/491831076.db2.gz KSTGQLQAZOMTST-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CC[NH+](CC)CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000592082456 491831077 /nfs/dbraw/zinc/83/10/77/491831077.db2.gz KSTGQLQAZOMTST-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000583178113 491839675 /nfs/dbraw/zinc/83/96/75/491839675.db2.gz VLSQFLRSPXUCDQ-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000583178113 491839676 /nfs/dbraw/zinc/83/96/76/491839676.db2.gz VLSQFLRSPXUCDQ-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000583327465 491842530 /nfs/dbraw/zinc/84/25/30/491842530.db2.gz PDBASOFEGQQACX-IBGZPJMESA-N 3 2 350.507 0.719 20 0 FCADLP Cn1cc([C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371093 491843449 /nfs/dbraw/zinc/84/34/49/491843449.db2.gz ZLKAZFOKXCMLRS-IAGOWNOFSA-N 2 2 360.437 0.933 20 0 FCADLP Cn1cc([C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371093 491843450 /nfs/dbraw/zinc/84/34/50/491843450.db2.gz ZLKAZFOKXCMLRS-IAGOWNOFSA-N 2 2 360.437 0.933 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000583476978 491845649 /nfs/dbraw/zinc/84/56/49/491845649.db2.gz BOWSNCOXVHGYLV-HOTGVXAUSA-N 2 2 368.522 0.489 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587973 491848114 /nfs/dbraw/zinc/84/81/14/491848114.db2.gz KBZWTYVKTSGWIS-JKSUJKDBSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587973 491848115 /nfs/dbraw/zinc/84/81/15/491848115.db2.gz KBZWTYVKTSGWIS-JKSUJKDBSA-N 2 2 353.488 0.067 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000583701679 491850454 /nfs/dbraw/zinc/85/04/54/491850454.db2.gz XAWNKWTZBDTCIQ-NSHDSACASA-N 2 2 360.418 0.347 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000583701679 491850455 /nfs/dbraw/zinc/85/04/55/491850455.db2.gz XAWNKWTZBDTCIQ-NSHDSACASA-N 2 2 360.418 0.347 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000583753234 491851346 /nfs/dbraw/zinc/85/13/46/491851346.db2.gz SLXIITHCGDOVCZ-BFHYXJOUSA-N 2 2 363.462 0.165 20 0 FCADLP CC(=O)NCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000583810450 491852590 /nfs/dbraw/zinc/85/25/90/491852590.db2.gz OZHPSMBTQGKAHH-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP CC(=O)NCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000583810450 491852591 /nfs/dbraw/zinc/85/25/91/491852591.db2.gz OZHPSMBTQGKAHH-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(C(=O)OC)c1 ZINC000584173301 491859984 /nfs/dbraw/zinc/85/99/84/491859984.db2.gz PQGCFKQXORIBLC-LBPRGKRZSA-N 2 2 363.414 0.869 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(C(=O)OC)c1 ZINC000584173301 491859985 /nfs/dbraw/zinc/85/99/85/491859985.db2.gz PQGCFKQXORIBLC-LBPRGKRZSA-N 2 2 363.414 0.869 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000611675230 491867063 /nfs/dbraw/zinc/86/70/63/491867063.db2.gz ROXYIRAEWAMQHG-OAHLLOKOSA-N 2 2 351.520 0.994 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875902 491869522 /nfs/dbraw/zinc/86/95/22/491869522.db2.gz NYZIFAXRJNROOM-LZWOXQAQSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875902 491869524 /nfs/dbraw/zinc/86/95/24/491869524.db2.gz NYZIFAXRJNROOM-LZWOXQAQSA-N 2 2 360.458 0.458 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875788 491869558 /nfs/dbraw/zinc/86/95/58/491869558.db2.gz QLHAQGUOAJYGCZ-UGFHNGPFSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875788 491869560 /nfs/dbraw/zinc/86/95/60/491869560.db2.gz QLHAQGUOAJYGCZ-UGFHNGPFSA-N 2 2 350.850 0.589 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000600724705 491878765 /nfs/dbraw/zinc/87/87/65/491878765.db2.gz HHEYQKHJSOLHNE-QWHCGFSZSA-N 2 2 365.396 0.857 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000600724705 491878767 /nfs/dbraw/zinc/87/87/67/491878767.db2.gz HHEYQKHJSOLHNE-QWHCGFSZSA-N 2 2 365.396 0.857 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886073 491887989 /nfs/dbraw/zinc/88/79/89/491887989.db2.gz KRGGLWODZHAFCQ-SJORKVTESA-N 2 2 373.453 0.838 20 0 FCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886073 491887990 /nfs/dbraw/zinc/88/79/90/491887990.db2.gz KRGGLWODZHAFCQ-SJORKVTESA-N 2 2 373.453 0.838 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612044819 491894579 /nfs/dbraw/zinc/89/45/79/491894579.db2.gz OQPPJGGSCPDSLH-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612044819 491894581 /nfs/dbraw/zinc/89/45/81/491894581.db2.gz OQPPJGGSCPDSLH-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC000601165971 491898386 /nfs/dbraw/zinc/89/83/86/491898386.db2.gz WEZZPWABVKDQIH-UHFFFAOYSA-N 2 2 351.451 0.305 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC000601165971 491898387 /nfs/dbraw/zinc/89/83/87/491898387.db2.gz WEZZPWABVKDQIH-UHFFFAOYSA-N 2 2 351.451 0.305 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCN2C1=O ZINC000595265799 491909329 /nfs/dbraw/zinc/90/93/29/491909329.db2.gz HLRWWJRUADTGKN-HOTGVXAUSA-N 2 2 372.473 0.525 20 0 FCADLP COC(=O)CCN1CC[C@@H]([NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1=O ZINC000595303260 491914998 /nfs/dbraw/zinc/91/49/98/491914998.db2.gz ODJMOCOWVCWERH-OAHLLOKOSA-N 2 2 362.430 0.376 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612487266 491924947 /nfs/dbraw/zinc/92/49/47/491924947.db2.gz WQSTYLMFXHYXTB-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595471098 491934869 /nfs/dbraw/zinc/93/48/69/491934869.db2.gz WVUGENDODUATCC-CABCVRRESA-N 2 2 356.467 0.034 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595471098 491934870 /nfs/dbraw/zinc/93/48/70/491934870.db2.gz WVUGENDODUATCC-CABCVRRESA-N 2 2 356.467 0.034 20 0 FCADLP COC(=O)c1cnn(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000601799295 491949297 /nfs/dbraw/zinc/94/92/97/491949297.db2.gz XSWRWHQXSLRSGN-UHFFFAOYSA-N 2 2 358.402 0.455 20 0 FCADLP COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2)s1 ZINC000595995587 491970596 /nfs/dbraw/zinc/97/05/96/491970596.db2.gz PINPPNXVUYOFQC-NWDGAFQWSA-N 2 2 354.476 0.915 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)C3CCCCC3)C2)CC1 ZINC000602330603 491979674 /nfs/dbraw/zinc/97/96/74/491979674.db2.gz MLDUPHYANXPYCA-INIZCTEOSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)C3CCCCC3)C2)CC1 ZINC000602330603 491979678 /nfs/dbraw/zinc/97/96/78/491979678.db2.gz MLDUPHYANXPYCA-INIZCTEOSA-N 2 2 350.507 0.968 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602464689 491987740 /nfs/dbraw/zinc/98/77/40/491987740.db2.gz MJKKOVUBOQGQQV-CYBMUJFWSA-N 2 2 358.533 0.607 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602464689 491987741 /nfs/dbraw/zinc/98/77/41/491987741.db2.gz MJKKOVUBOQGQQV-CYBMUJFWSA-N 2 2 358.533 0.607 20 0 FCADLP CC[N@@H+]1CCc2nc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)sc2C1 ZINC000602468778 491987936 /nfs/dbraw/zinc/98/79/36/491987936.db2.gz QKFVKZGVXSVFMN-HSZRJFAPSA-N 2 2 356.517 0.960 20 0 FCADLP CC[N@H+]1CCc2nc(NC(=O)C3([S@@](C)=O)CC[NH2+]CC3)sc2C1 ZINC000602468778 491987937 /nfs/dbraw/zinc/98/79/37/491987937.db2.gz QKFVKZGVXSVFMN-HSZRJFAPSA-N 2 2 356.517 0.960 20 0 FCADLP COC(=O)c1oc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000597076492 492014812 /nfs/dbraw/zinc/01/48/12/492014812.db2.gz GLOFZOFOTWJTFC-AWEZNQCLSA-N 2 2 365.430 0.397 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000614437070 492029773 /nfs/dbraw/zinc/02/97/73/492029773.db2.gz BXDISYNOBNNZDF-SFHVURJKSA-N 2 2 352.523 0.727 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000597461614 492039655 /nfs/dbraw/zinc/03/96/55/492039655.db2.gz IGHXVKRUUXWBEU-PBHICJAKSA-N 2 2 370.457 0.919 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000597461614 492039658 /nfs/dbraw/zinc/03/96/58/492039658.db2.gz IGHXVKRUUXWBEU-PBHICJAKSA-N 2 2 370.457 0.919 20 0 FCADLP CN(C)C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209716 492054774 /nfs/dbraw/zinc/05/47/74/492054774.db2.gz WMDBPYZDRFJRHP-HNNXBMFYSA-N 2 2 366.510 0.164 20 0 FCADLP CN(C)C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209716 492054777 /nfs/dbraw/zinc/05/47/77/492054777.db2.gz WMDBPYZDRFJRHP-HNNXBMFYSA-N 2 2 366.510 0.164 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)CC1 ZINC000604209890 492054870 /nfs/dbraw/zinc/05/48/70/492054870.db2.gz ZBBIOXVCEXOTCW-LSDHHAIUSA-N 2 2 366.510 0.245 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)CC1 ZINC000604209890 492054872 /nfs/dbraw/zinc/05/48/72/492054872.db2.gz ZBBIOXVCEXOTCW-LSDHHAIUSA-N 2 2 366.510 0.245 20 0 FCADLP CC(=O)N(C)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209659 492054919 /nfs/dbraw/zinc/05/49/19/492054919.db2.gz WTNBQIANZOYOLK-MRXNPFEDSA-N 2 2 365.522 0.807 20 0 FCADLP CC(=O)N(C)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209659 492054921 /nfs/dbraw/zinc/05/49/21/492054921.db2.gz WTNBQIANZOYOLK-MRXNPFEDSA-N 2 2 365.522 0.807 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000604656627 492066752 /nfs/dbraw/zinc/06/67/52/492066752.db2.gz BLUBLEFNMSCQGJ-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000604656627 492066754 /nfs/dbraw/zinc/06/67/54/492066754.db2.gz BLUBLEFNMSCQGJ-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)ccn2)CC1 ZINC000615553366 492094631 /nfs/dbraw/zinc/09/46/31/492094631.db2.gz PUANXQWTWZHWIZ-GOSISDBHSA-N 2 2 373.501 0.770 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605971352 492109566 /nfs/dbraw/zinc/10/95/66/492109566.db2.gz ZSIIACOUAQKGPL-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605971352 492109569 /nfs/dbraw/zinc/10/95/69/492109569.db2.gz ZSIIACOUAQKGPL-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000605985842 492110310 /nfs/dbraw/zinc/11/03/10/492110310.db2.gz PHOKQZUXAOPEEQ-ZWKOTPCHSA-N 2 2 367.538 0.255 20 0 FCADLP C[C@H](NC(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700706 492127407 /nfs/dbraw/zinc/12/74/07/492127407.db2.gz OXDLDLKBCXZXEO-WMZOPIPTSA-N 2 2 367.538 0.375 20 0 FCADLP C[NH+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000606705327 492127798 /nfs/dbraw/zinc/12/77/98/492127798.db2.gz DRSALLNAKIANDM-INIZCTEOSA-N 2 2 351.495 0.276 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000599091499 492134600 /nfs/dbraw/zinc/13/46/00/492134600.db2.gz APYUMKVKOSUKLN-HOCLYGCPSA-N 2 2 355.479 0.223 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000599091499 492134601 /nfs/dbraw/zinc/13/46/01/492134601.db2.gz APYUMKVKOSUKLN-HOCLYGCPSA-N 2 2 355.479 0.223 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352500 492164562 /nfs/dbraw/zinc/16/45/62/492164562.db2.gz XWIGSSAMHOWAOG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352500 492164563 /nfs/dbraw/zinc/16/45/63/492164563.db2.gz XWIGSSAMHOWAOG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000608312892 492172466 /nfs/dbraw/zinc/17/24/66/492172466.db2.gz NXTQBSMFFUCTSS-OAHLLOKOSA-N 2 2 350.467 0.679 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000608312892 492172467 /nfs/dbraw/zinc/17/24/67/492172467.db2.gz NXTQBSMFFUCTSS-OAHLLOKOSA-N 2 2 350.467 0.679 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000608690705 492187344 /nfs/dbraw/zinc/18/73/44/492187344.db2.gz GBZWIXPRILHPQT-HNNXBMFYSA-N 2 2 362.478 0.817 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000608690705 492187345 /nfs/dbraw/zinc/18/73/45/492187345.db2.gz GBZWIXPRILHPQT-HNNXBMFYSA-N 2 2 362.478 0.817 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000608704397 492189062 /nfs/dbraw/zinc/18/90/62/492189062.db2.gz PSYBSYDERRACCO-YCPHGPKFSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000608704397 492189065 /nfs/dbraw/zinc/18/90/65/492189065.db2.gz PSYBSYDERRACCO-YCPHGPKFSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600013981 492230183 /nfs/dbraw/zinc/23/01/83/492230183.db2.gz CRYUJOMWAGTRIK-HOTGVXAUSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@@H](O)CNc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719009 492298868 /nfs/dbraw/zinc/29/88/68/492298868.db2.gz IWBKMKOXELCDNM-CVEARBPZSA-N 2 2 364.494 0.478 20 0 FCADLP C[C@@H](O)CNc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719009 492298870 /nfs/dbraw/zinc/29/88/70/492298870.db2.gz IWBKMKOXELCDNM-CVEARBPZSA-N 2 2 364.494 0.478 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000647510245 492301390 /nfs/dbraw/zinc/30/13/90/492301390.db2.gz CVDXUUXBGOGDIT-GOSISDBHSA-N 2 2 358.486 0.787 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000647518976 492302684 /nfs/dbraw/zinc/30/26/84/492302684.db2.gz RCZSWYFTJPADBS-OAHLLOKOSA-N 2 2 358.421 0.803 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000647518976 492302688 /nfs/dbraw/zinc/30/26/88/492302688.db2.gz RCZSWYFTJPADBS-OAHLLOKOSA-N 2 2 358.421 0.803 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568022 492315183 /nfs/dbraw/zinc/31/51/83/492315183.db2.gz FSPRNNYZBKCXJS-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568022 492315187 /nfs/dbraw/zinc/31/51/87/492315187.db2.gz FSPRNNYZBKCXJS-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CNC(=O)c3ccncc3)c2)CC1 ZINC000634193500 492324749 /nfs/dbraw/zinc/32/47/49/492324749.db2.gz JCEQWYGRDIXTSQ-UHFFFAOYSA-N 2 2 354.414 0.597 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000654681699 492337533 /nfs/dbraw/zinc/33/75/33/492337533.db2.gz PAIYZHJGQHCLQA-UHFFFAOYSA-N 2 2 366.514 0.596 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000654681699 492337539 /nfs/dbraw/zinc/33/75/39/492337539.db2.gz PAIYZHJGQHCLQA-UHFFFAOYSA-N 2 2 366.514 0.596 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654738297 492345076 /nfs/dbraw/zinc/34/50/76/492345076.db2.gz YKIJEASELFOWCG-MSOLQXFVSA-N 2 2 368.522 0.994 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654738297 492345077 /nfs/dbraw/zinc/34/50/77/492345077.db2.gz YKIJEASELFOWCG-MSOLQXFVSA-N 2 2 368.522 0.994 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642294001 492349593 /nfs/dbraw/zinc/34/95/93/492349593.db2.gz NPKIYVAARIWJDE-WBMJQRKESA-N 2 2 359.430 0.036 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000642337446 492352321 /nfs/dbraw/zinc/35/23/21/492352321.db2.gz GOUCGGZQTKMOBF-CABCVRRESA-N 2 2 352.479 0.086 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000642337480 492352978 /nfs/dbraw/zinc/35/29/78/492352978.db2.gz NSYABMIZMCMTDZ-ARFHVFGLSA-N 2 2 352.479 0.004 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642381284 492356085 /nfs/dbraw/zinc/35/60/85/492356085.db2.gz ZTYUAGYYPDZNGS-JKSUJKDBSA-N 2 2 355.442 0.884 20 0 FCADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257873 492365444 /nfs/dbraw/zinc/36/54/44/492365444.db2.gz OVCDATYBVPXBGH-KBPBESRZSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257873 492365448 /nfs/dbraw/zinc/36/54/48/492365448.db2.gz OVCDATYBVPXBGH-KBPBESRZSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257873 492365450 /nfs/dbraw/zinc/36/54/50/492365450.db2.gz OVCDATYBVPXBGH-KBPBESRZSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257873 492365454 /nfs/dbraw/zinc/36/54/54/492365454.db2.gz OVCDATYBVPXBGH-KBPBESRZSA-N 2 2 359.478 0.917 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)[nH+]c12 ZINC000642638908 492367925 /nfs/dbraw/zinc/36/79/25/492367925.db2.gz RMAGDTHUBRZTFR-BHYGNILZSA-N 2 2 369.469 0.887 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])[nH+]c12 ZINC000642638790 492368177 /nfs/dbraw/zinc/36/81/77/492368177.db2.gz CIGRJDDFECFHNP-BBRMVZONSA-N 2 2 357.458 0.887 20 0 FCADLP O=C(NCC[NH2+]C1CC1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000642640086 492368388 /nfs/dbraw/zinc/36/83/88/492368388.db2.gz SRXNVPVSHGHHPC-UHFFFAOYSA-N 2 2 355.442 0.610 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926626 492383704 /nfs/dbraw/zinc/38/37/04/492383704.db2.gz HBADJDUFBQWZIC-ZDUSSCGKSA-N 2 2 368.503 0.194 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2[nH]ccc2C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000635057689 492383870 /nfs/dbraw/zinc/38/38/70/492383870.db2.gz CFZVFZUHDHMTBS-UHFFFAOYSA-N 2 2 361.490 0.499 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647938453 492386207 /nfs/dbraw/zinc/38/62/07/492386207.db2.gz NMYLTMGRXZDTTE-LALPHHSUSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647938453 492386208 /nfs/dbraw/zinc/38/62/08/492386208.db2.gz NMYLTMGRXZDTTE-LALPHHSUSA-N 2 2 354.476 0.720 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647971879 492388726 /nfs/dbraw/zinc/38/87/26/492388726.db2.gz XAQZGADSVFZZKN-HUUCEWRRSA-N 2 2 360.458 0.445 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647971879 492388728 /nfs/dbraw/zinc/38/87/28/492388728.db2.gz XAQZGADSVFZZKN-HUUCEWRRSA-N 2 2 360.458 0.445 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[C@H]1c1[nH+]ccn1C ZINC000627796174 492389135 /nfs/dbraw/zinc/38/91/35/492389135.db2.gz JDIHYFWQSOEXAB-KBMXLJTQSA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@H]2CCC[N@H+]2C)[C@H]1c1[nH+]ccn1C ZINC000627796174 492389138 /nfs/dbraw/zinc/38/91/38/492389138.db2.gz JDIHYFWQSOEXAB-KBMXLJTQSA-N 2 2 363.462 0.261 20 0 FCADLP COc1ccc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000647982776 492390574 /nfs/dbraw/zinc/39/05/74/492390574.db2.gz FBLGCOQNFBLWIT-UHFFFAOYSA-N 2 2 370.475 0.306 20 0 FCADLP COc1ccc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000647982776 492390575 /nfs/dbraw/zinc/39/05/75/492390575.db2.gz FBLGCOQNFBLWIT-UHFFFAOYSA-N 2 2 370.475 0.306 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000648105701 492399162 /nfs/dbraw/zinc/39/91/62/492399162.db2.gz SPHIHOSMWYFOPK-UONOGXRCSA-N 2 2 353.488 0.831 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000642906232 492400768 /nfs/dbraw/zinc/40/07/68/492400768.db2.gz ARIVHUNXECZLHI-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000642906232 492400772 /nfs/dbraw/zinc/40/07/72/492400772.db2.gz ARIVHUNXECZLHI-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000642912388 492402172 /nfs/dbraw/zinc/40/21/72/492402172.db2.gz CKQWNBAOQRUEGR-HUUCEWRRSA-N 2 2 350.488 0.778 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000642921718 492405032 /nfs/dbraw/zinc/40/50/32/492405032.db2.gz YEQROVGLBVAMPI-IAGOWNOFSA-N 2 2 360.458 0.126 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140951 492407096 /nfs/dbraw/zinc/40/70/96/492407096.db2.gz SKVMRRDSJICONT-INIZCTEOSA-N 2 2 365.499 0.894 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000648150243 492408617 /nfs/dbraw/zinc/40/86/17/492408617.db2.gz BBYWITSWQDWQKC-UHFFFAOYSA-N 2 2 372.513 0.978 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000648150243 492408622 /nfs/dbraw/zinc/40/86/22/492408622.db2.gz BBYWITSWQDWQKC-UHFFFAOYSA-N 2 2 372.513 0.978 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000648150337 492408682 /nfs/dbraw/zinc/40/86/82/492408682.db2.gz YUZWESUOCSCGAG-KSSFIOAISA-N 2 2 354.495 0.189 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000648150337 492408688 /nfs/dbraw/zinc/40/86/88/492408688.db2.gz YUZWESUOCSCGAG-KSSFIOAISA-N 2 2 354.495 0.189 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[C@@H]3CCC[NH2+]C3)nc2)CC1 ZINC000643007149 492413970 /nfs/dbraw/zinc/41/39/70/492413970.db2.gz HJXFSVCWNREPNU-HNNXBMFYSA-N 2 2 367.519 0.819 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000621838665 492421675 /nfs/dbraw/zinc/42/16/75/492421675.db2.gz HLASFMWNXJFTKE-AUUYWEPGSA-N 2 2 371.416 0.967 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621839002 492422642 /nfs/dbraw/zinc/42/26/42/492422642.db2.gz MGSDEHOWKYITFV-KUHUBIRLSA-N 2 2 355.442 0.801 20 0 FCADLP CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000643250829 492434230 /nfs/dbraw/zinc/43/42/30/492434230.db2.gz LCWDEGBXXFRSTD-GOSISDBHSA-N 2 2 372.469 0.987 20 0 FCADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000643250829 492434235 /nfs/dbraw/zinc/43/42/35/492434235.db2.gz LCWDEGBXXFRSTD-GOSISDBHSA-N 2 2 372.469 0.987 20 0 FCADLP O=C(CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000655446598 492443245 /nfs/dbraw/zinc/44/32/45/492443245.db2.gz XQYXKOVICXIRPR-JXFKEZNVSA-N 2 2 371.485 0.626 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028832 492443544 /nfs/dbraw/zinc/44/35/44/492443544.db2.gz WNLCXZYIAFJNKW-MDYRTPRTSA-N 2 2 371.485 0.627 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1)[C@@H]1CCC[NH2+]1 ZINC000655450557 492444225 /nfs/dbraw/zinc/44/42/25/492444225.db2.gz SDKFUNDTKMNSHL-XHSDSOJGSA-N 2 2 359.474 0.552 20 0 FCADLP C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643397683 492448301 /nfs/dbraw/zinc/44/83/01/492448301.db2.gz INUARRBAQOMLCN-QKPAOTATSA-N 2 2 350.507 0.774 20 0 FCADLP C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643397683 492448302 /nfs/dbraw/zinc/44/83/02/492448302.db2.gz INUARRBAQOMLCN-QKPAOTATSA-N 2 2 350.507 0.774 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCCOC(C)C)CC2)CC1 ZINC000643402161 492449671 /nfs/dbraw/zinc/44/96/71/492449671.db2.gz PJWLBFGLSGWRLV-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCCOC(C)C)CC2)CC1 ZINC000643402161 492449675 /nfs/dbraw/zinc/44/96/75/492449675.db2.gz PJWLBFGLSGWRLV-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3n[nH]c(=O)o3)CC2)CC1 ZINC000622115665 492454754 /nfs/dbraw/zinc/45/47/54/492454754.db2.gz CLIAXWLAJSNNDG-UHFFFAOYSA-N 2 2 351.451 0.930 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551873 492454924 /nfs/dbraw/zinc/45/49/24/492454924.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551873 492454927 /nfs/dbraw/zinc/45/49/27/492454927.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551873 492454931 /nfs/dbraw/zinc/45/49/31/492454931.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551873 492454935 /nfs/dbraw/zinc/45/49/35/492454935.db2.gz GYNHHBGLMNUXQL-DLBZAZTESA-N 3 2 367.538 0.301 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512572 492462359 /nfs/dbraw/zinc/46/23/59/492462359.db2.gz OAHIQUKEALONEW-QZTJIDSGSA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512572 492462363 /nfs/dbraw/zinc/46/23/63/492462363.db2.gz OAHIQUKEALONEW-QZTJIDSGSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000643476789 492473437 /nfs/dbraw/zinc/47/34/37/492473437.db2.gz WFZRSBCPNUVJIL-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCC(C)([NH3+])CC3)CC2)c1 ZINC000643477011 492474215 /nfs/dbraw/zinc/47/42/15/492474215.db2.gz OYXOAMBCKQRQJA-UHFFFAOYSA-N 2 2 358.486 0.979 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643514579 492487171 /nfs/dbraw/zinc/48/71/71/492487171.db2.gz VKJSNMHZGQTHQD-SOLBZPMBSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643514579 492487174 /nfs/dbraw/zinc/48/71/74/492487174.db2.gz VKJSNMHZGQTHQD-SOLBZPMBSA-N 2 2 374.485 0.294 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000635685715 492490638 /nfs/dbraw/zinc/49/06/38/492490638.db2.gz ORKLRLQLUOWDCC-KRWDZBQOSA-N 2 2 369.506 0.295 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562931 492498908 /nfs/dbraw/zinc/49/89/08/492498908.db2.gz DKTOBCOYCUMLIT-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562931 492498912 /nfs/dbraw/zinc/49/89/12/492498912.db2.gz DKTOBCOYCUMLIT-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643591788 492501482 /nfs/dbraw/zinc/50/14/82/492501482.db2.gz KADCWSHRNBXLTL-XHSDSOJGSA-N 2 2 352.479 0.038 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000643592555 492502512 /nfs/dbraw/zinc/50/25/12/492502512.db2.gz AAIJNMDVVZZSPL-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP Cc1cn2ccc(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)cc2[nH+]1 ZINC000635773629 492504081 /nfs/dbraw/zinc/50/40/81/492504081.db2.gz DLVIQDXVYKPEFN-UHFFFAOYSA-N 2 2 358.442 0.942 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)nnn1C1CC[NH2+]CC1 ZINC000649279478 492518927 /nfs/dbraw/zinc/51/89/27/492518927.db2.gz SOIPOZLTXROWPL-INIZCTEOSA-N 2 2 362.478 0.448 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301145 492527461 /nfs/dbraw/zinc/52/74/61/492527461.db2.gz HWRGHBBOCDKZDS-HOCLYGCPSA-N 2 2 354.495 0.237 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1=O ZINC000635932701 492530253 /nfs/dbraw/zinc/53/02/53/492530253.db2.gz ACYKMNGBWGUZSX-INIZCTEOSA-N 2 2 373.457 0.552 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1=O ZINC000635932701 492530255 /nfs/dbraw/zinc/53/02/55/492530255.db2.gz ACYKMNGBWGUZSX-INIZCTEOSA-N 2 2 373.457 0.552 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)c2)CC1 ZINC000649351844 492543936 /nfs/dbraw/zinc/54/39/36/492543936.db2.gz YDDSUYATGSWRHL-KRWDZBQOSA-N 2 2 369.473 0.812 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000649410649 492552352 /nfs/dbraw/zinc/55/23/52/492552352.db2.gz LUSYTHFEJVVFAZ-GOEBONIOSA-N 2 2 352.504 0.440 20 0 FCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410746 492552444 /nfs/dbraw/zinc/55/24/44/492552444.db2.gz QMMGHGCQZAVSBB-CRAIPNDOSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410746 492552448 /nfs/dbraw/zinc/55/24/48/492552448.db2.gz QMMGHGCQZAVSBB-CRAIPNDOSA-N 2 2 364.465 0.912 20 0 FCADLP Fc1ccc(-n2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)nn2)cc1 ZINC000623420902 492552668 /nfs/dbraw/zinc/55/26/68/492552668.db2.gz RWYGKUAUMXXKPU-KRWDZBQOSA-N 2 2 374.464 0.903 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000623619628 492574040 /nfs/dbraw/zinc/57/40/40/492574040.db2.gz PYSBMFZJSMXCSN-ZDUSSCGKSA-N 2 2 374.894 0.417 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000623619628 492574048 /nfs/dbraw/zinc/57/40/48/492574048.db2.gz PYSBMFZJSMXCSN-ZDUSSCGKSA-N 2 2 374.894 0.417 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c[nH+]1 ZINC000656296490 492575125 /nfs/dbraw/zinc/57/51/25/492575125.db2.gz UVAGEBMOEGKIFD-JKSUJKDBSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c[nH+]1 ZINC000656296490 492575129 /nfs/dbraw/zinc/57/51/29/492575129.db2.gz UVAGEBMOEGKIFD-JKSUJKDBSA-N 2 2 359.474 0.897 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649761377 492581221 /nfs/dbraw/zinc/58/12/21/492581221.db2.gz VZAUAQAQLANIGA-QZTJIDSGSA-N 2 2 363.458 0.539 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649761377 492581225 /nfs/dbraw/zinc/58/12/25/492581225.db2.gz VZAUAQAQLANIGA-QZTJIDSGSA-N 2 2 363.458 0.539 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467330 492594293 /nfs/dbraw/zinc/59/42/93/492594293.db2.gz HBKGLJRBXVEXJH-SJLPKXTDSA-N 2 2 369.469 0.884 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467330 492594296 /nfs/dbraw/zinc/59/42/96/492594296.db2.gz HBKGLJRBXVEXJH-SJLPKXTDSA-N 2 2 369.469 0.884 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(Nc3nc(N)[nH+]c(N)n3)cc2)CC1 ZINC000624024915 492613521 /nfs/dbraw/zinc/61/35/21/492613521.db2.gz CJYKGQVTWRVZFV-UHFFFAOYSA-N 2 2 356.434 0.147 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)c[nH+]2)CCO1 ZINC000636540514 492615038 /nfs/dbraw/zinc/61/50/38/492615038.db2.gz VVJMODZFOVQLOE-ZBFHGGJFSA-N 2 2 363.462 0.173 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)c[nH+]2)CCO1 ZINC000636540514 492615042 /nfs/dbraw/zinc/61/50/42/492615042.db2.gz VVJMODZFOVQLOE-ZBFHGGJFSA-N 2 2 363.462 0.173 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564649 492623154 /nfs/dbraw/zinc/62/31/54/492623154.db2.gz GEXGDAKEVHCBCA-MSOLQXFVSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564649 492623155 /nfs/dbraw/zinc/62/31/55/492623155.db2.gz GEXGDAKEVHCBCA-MSOLQXFVSA-N 2 2 362.474 0.426 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2=O)c1 ZINC000629564504 492645437 /nfs/dbraw/zinc/64/54/37/492645437.db2.gz LQCXJODZYDJIRZ-CRAIPNDOSA-N 2 2 363.458 0.855 20 0 FCADLP O=S(=O)(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000629578834 492655338 /nfs/dbraw/zinc/65/53/38/492655338.db2.gz VIGXJENKDCXQEF-ZDUSSCGKSA-N 2 2 363.430 0.289 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000650669846 492659860 /nfs/dbraw/zinc/65/98/60/492659860.db2.gz QHIKPPRWSCWADB-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000650669846 492659866 /nfs/dbraw/zinc/65/98/66/492659866.db2.gz QHIKPPRWSCWADB-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000650688269 492661761 /nfs/dbraw/zinc/66/17/61/492661761.db2.gz CNKFGUQLWRFPML-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000650688269 492661765 /nfs/dbraw/zinc/66/17/65/492661765.db2.gz CNKFGUQLWRFPML-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP COC[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000650798170 492669188 /nfs/dbraw/zinc/66/91/88/492669188.db2.gz OXGRFSMUVAZZMM-IAGOWNOFSA-N 2 2 354.495 0.336 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000629812199 492685269 /nfs/dbraw/zinc/68/52/69/492685269.db2.gz MVHRGGHMDIKDHC-INIZCTEOSA-N 2 2 364.515 0.849 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000629917059 492703921 /nfs/dbraw/zinc/70/39/21/492703921.db2.gz KCMZHNQSHWWYET-SFHVURJKSA-N 3 2 352.523 0.366 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000629917059 492703923 /nfs/dbraw/zinc/70/39/23/492703923.db2.gz KCMZHNQSHWWYET-SFHVURJKSA-N 3 2 352.523 0.366 20 0 FCADLP C[NH2+]C1(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000630001749 492713289 /nfs/dbraw/zinc/71/32/89/492713289.db2.gz IFKFJBNTJZRTFG-UHFFFAOYSA-N 2 2 359.474 0.769 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000630021926 492718546 /nfs/dbraw/zinc/71/85/46/492718546.db2.gz ZQTRWWVETVKRKW-APWZRJJASA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000630021926 492718551 /nfs/dbraw/zinc/71/85/51/492718551.db2.gz ZQTRWWVETVKRKW-APWZRJJASA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630021926 492718555 /nfs/dbraw/zinc/71/85/55/492718555.db2.gz ZQTRWWVETVKRKW-APWZRJJASA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630021926 492718558 /nfs/dbraw/zinc/71/85/58/492718558.db2.gz ZQTRWWVETVKRKW-APWZRJJASA-N 2 2 353.507 0.983 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C3CCC3)CC1)CC2 ZINC000651324602 492742726 /nfs/dbraw/zinc/74/27/26/492742726.db2.gz KPHIKXQYCLFNCZ-KRWDZBQOSA-N 2 2 373.501 0.814 20 0 FCADLP COCc1csc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000657368435 492750297 /nfs/dbraw/zinc/75/02/97/492750297.db2.gz WOHVWBARHYOAGZ-OAHLLOKOSA-N 2 2 353.488 0.917 20 0 FCADLP COC1CC(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000625325784 492757264 /nfs/dbraw/zinc/75/72/64/492757264.db2.gz ZLTRAAUXNJMNSZ-UHFFFAOYSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569133 492786241 /nfs/dbraw/zinc/78/62/41/492786241.db2.gz LJTNDLAOSDKNIE-RBUKOAKNSA-N 2 2 363.502 0.731 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)C[C@@H](C)O1 ZINC000644633627 492794088 /nfs/dbraw/zinc/79/40/88/492794088.db2.gz OFQZIABVKQLFIC-QBPKDAKJSA-N 2 2 351.495 0.449 20 0 FCADLP CCn1ncc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000657842548 492802314 /nfs/dbraw/zinc/80/23/14/492802314.db2.gz CBQRCCMOVGYVQS-CQSZACIVSA-N 2 2 362.478 0.435 20 0 FCADLP CCn1ncc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000657842548 492802317 /nfs/dbraw/zinc/80/23/17/492802317.db2.gz CBQRCCMOVGYVQS-CQSZACIVSA-N 2 2 362.478 0.435 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](n3cncn3)C(F)(F)F)cn2)CC1 ZINC000631209846 492804073 /nfs/dbraw/zinc/80/40/73/492804073.db2.gz BXJKGWNCFFYSRH-CYBMUJFWSA-N 2 2 370.383 0.713 20 0 FCADLP Cc1ccc2[nH+]c(CNS(=O)(=O)CCCN3CC[NH+](C)CC3)cn2c1 ZINC000631782366 492852191 /nfs/dbraw/zinc/85/21/91/492852191.db2.gz LEKNLGJQKJDBKG-UHFFFAOYSA-N 2 2 365.503 0.700 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637681081 492858271 /nfs/dbraw/zinc/85/82/71/492858271.db2.gz DDAVNDYAQLSUDK-UHFFFAOYSA-N 2 2 367.519 0.748 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637681081 492858274 /nfs/dbraw/zinc/85/82/74/492858274.db2.gz DDAVNDYAQLSUDK-UHFFFAOYSA-N 2 2 367.519 0.748 20 0 FCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856773 492864921 /nfs/dbraw/zinc/86/49/21/492864921.db2.gz AQCYADPYQIBXFU-GJZGRUSLSA-N 2 2 369.487 0.508 20 0 FCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856773 492864928 /nfs/dbraw/zinc/86/49/28/492864928.db2.gz AQCYADPYQIBXFU-GJZGRUSLSA-N 2 2 369.487 0.508 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000631897790 492872755 /nfs/dbraw/zinc/87/27/55/492872755.db2.gz PLAKEMUBQUZAOF-MRXNPFEDSA-N 2 2 355.508 0.487 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233406 492881664 /nfs/dbraw/zinc/88/16/64/492881664.db2.gz DRBNNCWMVQGXEH-HOCLYGCPSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233406 492881668 /nfs/dbraw/zinc/88/16/68/492881668.db2.gz DRBNNCWMVQGXEH-HOCLYGCPSA-N 2 2 365.522 0.854 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000645246055 492882933 /nfs/dbraw/zinc/88/29/33/492882933.db2.gz BSMIPEAJJKCUQQ-QGZVFWFLSA-N 2 2 355.442 0.806 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000645265547 492885795 /nfs/dbraw/zinc/88/57/95/492885795.db2.gz KLZKZNIMFUZJTB-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625802627 492889485 /nfs/dbraw/zinc/88/94/85/492889485.db2.gz VUIZBULOJSMSFQ-BPUTZDHNSA-N 2 2 363.462 0.261 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000631946053 492895031 /nfs/dbraw/zinc/89/50/31/492895031.db2.gz QGZJENWPOPFQBH-GOSISDBHSA-N 2 2 369.531 0.801 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[NH2+]CC1=O ZINC000638061394 492898389 /nfs/dbraw/zinc/89/83/89/492898389.db2.gz FMCZRDQLAIHXSG-HNNXBMFYSA-N 2 2 359.474 0.899 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000638062111 492898704 /nfs/dbraw/zinc/89/87/04/492898704.db2.gz KIKFQTOQDIEFOW-IBGZPJMESA-N 2 2 374.485 0.852 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000638062111 492898706 /nfs/dbraw/zinc/89/87/06/492898706.db2.gz KIKFQTOQDIEFOW-IBGZPJMESA-N 2 2 374.485 0.852 20 0 FCADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638063414 492898724 /nfs/dbraw/zinc/89/87/24/492898724.db2.gz MOEHWMOOPREYRA-MRXNPFEDSA-N 2 2 358.486 0.896 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn(-c4ccccn4)c3N)C2)CC1 ZINC000645407567 492903028 /nfs/dbraw/zinc/90/30/28/492903028.db2.gz FPSIXQIAHAUVBM-CQSZACIVSA-N 2 2 369.473 0.748 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn(-c4ccccn4)c3N)C2)CC1 ZINC000645407567 492903030 /nfs/dbraw/zinc/90/30/30/492903030.db2.gz FPSIXQIAHAUVBM-CQSZACIVSA-N 2 2 369.473 0.748 20 0 FCADLP CO[C@]1(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOC1 ZINC000638098398 492904939 /nfs/dbraw/zinc/90/49/39/492904939.db2.gz AFSJLDYQEOUXRV-SFHVURJKSA-N 2 2 363.462 0.241 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104423 492906549 /nfs/dbraw/zinc/90/65/49/492906549.db2.gz ZPOHDPNVZPFITO-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104423 492906552 /nfs/dbraw/zinc/90/65/52/492906552.db2.gz ZPOHDPNVZPFITO-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652313589 492909037 /nfs/dbraw/zinc/90/90/37/492909037.db2.gz BHTIZBBUBNURKX-UHFFFAOYSA-N 2 2 353.511 0.572 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000638116761 492909733 /nfs/dbraw/zinc/90/97/33/492909733.db2.gz GFEPPELZUGLASE-SJLPKXTDSA-N 2 2 362.474 0.218 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000638116761 492909737 /nfs/dbraw/zinc/90/97/37/492909737.db2.gz GFEPPELZUGLASE-SJLPKXTDSA-N 2 2 362.474 0.218 20 0 FCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000638116530 492910167 /nfs/dbraw/zinc/91/01/67/492910167.db2.gz FLZZMWBRQHKSKX-TXPKVOOTSA-N 2 2 361.490 0.475 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000652336850 492911326 /nfs/dbraw/zinc/91/13/26/492911326.db2.gz HACIPMNVJAXVHG-INIZCTEOSA-N 2 2 359.467 0.493 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000652336850 492911328 /nfs/dbraw/zinc/91/13/28/492911328.db2.gz HACIPMNVJAXVHG-INIZCTEOSA-N 2 2 359.467 0.493 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC1=CCCOC1 ZINC000658494976 492913961 /nfs/dbraw/zinc/91/39/61/492913961.db2.gz JRLQLHNMDKZXQZ-UHFFFAOYSA-N 2 2 366.506 0.276 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC1=CCCOC1 ZINC000658494976 492913964 /nfs/dbraw/zinc/91/39/64/492913964.db2.gz JRLQLHNMDKZXQZ-UHFFFAOYSA-N 2 2 366.506 0.276 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181183 492921917 /nfs/dbraw/zinc/92/19/17/492921917.db2.gz XJUDZKPIIHPKTB-VQIMIIECSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181183 492921919 /nfs/dbraw/zinc/92/19/19/492921919.db2.gz XJUDZKPIIHPKTB-VQIMIIECSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638296112 492929558 /nfs/dbraw/zinc/92/95/58/492929558.db2.gz GBLUPJRERKTHAM-KGLIPLIRSA-N 2 2 350.488 0.774 20 0 FCADLP C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c2ccccc2O1 ZINC000632102515 492930106 /nfs/dbraw/zinc/93/01/06/492930106.db2.gz JGFXPXJKMFZFCQ-GJZGRUSLSA-N 2 2 369.487 0.476 20 0 FCADLP C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c2ccccc2O1 ZINC000632102515 492930108 /nfs/dbraw/zinc/93/01/08/492930108.db2.gz JGFXPXJKMFZFCQ-GJZGRUSLSA-N 2 2 369.487 0.476 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638303169 492931238 /nfs/dbraw/zinc/93/12/38/492931238.db2.gz VWTAAKPAGYOXLB-UHFFFAOYSA-N 2 2 359.474 0.194 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638303305 492932864 /nfs/dbraw/zinc/93/28/64/492932864.db2.gz YCGCUOCFACZXTP-UHFFFAOYSA-N 2 2 359.474 0.194 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000652438747 492933040 /nfs/dbraw/zinc/93/30/40/492933040.db2.gz BNFGAXHKGCTZBH-OAHLLOKOSA-N 2 2 350.463 0.560 20 0 FCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658538631 492936815 /nfs/dbraw/zinc/93/68/15/492936815.db2.gz YBJJFXJCGVOZPG-HNNXBMFYSA-N 2 2 370.413 0.139 20 0 FCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626157920 492939128 /nfs/dbraw/zinc/93/91/28/492939128.db2.gz FEFUYFBUIFPXKC-BWTSREIZSA-N 2 2 368.522 0.329 20 0 FCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626157920 492939131 /nfs/dbraw/zinc/93/91/31/492939131.db2.gz FEFUYFBUIFPXKC-BWTSREIZSA-N 2 2 368.522 0.329 20 0 FCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626157920 492939133 /nfs/dbraw/zinc/93/91/33/492939133.db2.gz FEFUYFBUIFPXKC-BWTSREIZSA-N 2 2 368.522 0.329 20 0 FCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626157920 492939136 /nfs/dbraw/zinc/93/91/36/492939136.db2.gz FEFUYFBUIFPXKC-BWTSREIZSA-N 2 2 368.522 0.329 20 0 FCADLP CC(=O)NC[C@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626157921 492939280 /nfs/dbraw/zinc/93/92/80/492939280.db2.gz FEFUYFBUIFPXKC-QZTJIDSGSA-N 2 2 368.522 0.329 20 0 FCADLP CC(=O)NC[C@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626157921 492939281 /nfs/dbraw/zinc/93/92/81/492939281.db2.gz FEFUYFBUIFPXKC-QZTJIDSGSA-N 2 2 368.522 0.329 20 0 FCADLP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000632161221 492941713 /nfs/dbraw/zinc/94/17/13/492941713.db2.gz TYPVYICLTKZGII-JKSUJKDBSA-N 2 2 358.552 0.368 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC(CC[NH3+])CC2)[C@H]1c1[nH+]ccn1C ZINC000638390628 492943516 /nfs/dbraw/zinc/94/35/16/492943516.db2.gz LBIQQTSMYRHWNW-HOTGVXAUSA-N 2 2 363.462 0.296 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)CCC(=O)N1C1CC1 ZINC000638449393 492948858 /nfs/dbraw/zinc/94/88/58/492948858.db2.gz PDRXVKIOPHAERR-ACWOFJMJSA-N 2 2 359.474 0.978 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638528370 492958018 /nfs/dbraw/zinc/95/80/18/492958018.db2.gz BNLWBRGWFDGGGM-OAHLLOKOSA-N 2 2 372.477 0.683 20 0 FCADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000638596464 492964098 /nfs/dbraw/zinc/96/40/98/492964098.db2.gz KVISRJCJXIAPDH-SFHVURJKSA-N 3 2 354.539 0.218 20 0 FCADLP CC(C)(O)C[NH+]1CCC(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000638596464 492964101 /nfs/dbraw/zinc/96/41/01/492964101.db2.gz KVISRJCJXIAPDH-SFHVURJKSA-N 2 2 354.539 0.218 20 0 FCADLP CC(C)(O)C[NH+]1CCC(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000638596464 492964104 /nfs/dbraw/zinc/96/41/04/492964104.db2.gz KVISRJCJXIAPDH-SFHVURJKSA-N 2 2 354.539 0.218 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N=c1ccn(CC[NH+]3CCOCC3)[nH]1)C2 ZINC000652579227 492969829 /nfs/dbraw/zinc/96/98/29/492969829.db2.gz QERWYJXKPAFXPG-YJBOKZPZSA-N 2 2 362.478 0.230 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638730207 492973881 /nfs/dbraw/zinc/97/38/81/492973881.db2.gz VIFDISQLEVYKOP-JKSUJKDBSA-N 2 2 370.457 0.512 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638730207 492973885 /nfs/dbraw/zinc/97/38/85/492973885.db2.gz VIFDISQLEVYKOP-JKSUJKDBSA-N 2 2 370.457 0.512 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638730205 492974090 /nfs/dbraw/zinc/97/40/90/492974090.db2.gz VIFDISQLEVYKOP-HOTGVXAUSA-N 2 2 370.457 0.512 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638730205 492974095 /nfs/dbraw/zinc/97/40/95/492974095.db2.gz VIFDISQLEVYKOP-HOTGVXAUSA-N 2 2 370.457 0.512 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000638752648 492975661 /nfs/dbraw/zinc/97/56/61/492975661.db2.gz MYDYZZKHQBJMKS-QGZVFWFLSA-N 2 2 351.414 0.987 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000638753214 492975751 /nfs/dbraw/zinc/97/57/51/492975751.db2.gz SERHTHGDMRRXEF-DLBZAZTESA-N 2 2 355.446 0.488 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000638753214 492975755 /nfs/dbraw/zinc/97/57/55/492975755.db2.gz SERHTHGDMRRXEF-DLBZAZTESA-N 2 2 355.446 0.488 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1C[NH+]1CCOCC1 ZINC000638750189 492975893 /nfs/dbraw/zinc/97/58/93/492975893.db2.gz AFRKPGQTFVLOIA-QGZVFWFLSA-N 2 2 370.457 0.575 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000638753350 492976677 /nfs/dbraw/zinc/97/66/77/492976677.db2.gz VZDYLFWADSHUTF-JHNDHUHGSA-N 2 2 364.494 0.563 20 0 FCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002788 492991433 /nfs/dbraw/zinc/99/14/33/492991433.db2.gz ACPDOIRKQLIUFP-LJQANCHMSA-N 2 2 351.454 0.878 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000652696206 492992731 /nfs/dbraw/zinc/99/27/31/492992731.db2.gz IHRXLIISBGUIHO-QZTJIDSGSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000652696206 492992732 /nfs/dbraw/zinc/99/27/32/492992732.db2.gz IHRXLIISBGUIHO-QZTJIDSGSA-N 2 2 358.486 0.630 20 0 FCADLP CN(Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639172258 493000761 /nfs/dbraw/zinc/00/07/61/493000761.db2.gz KETVNECPPMTQJA-CQSZACIVSA-N 2 2 356.492 0.527 20 0 FCADLP CN(Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639172258 493000764 /nfs/dbraw/zinc/00/07/64/493000764.db2.gz KETVNECPPMTQJA-CQSZACIVSA-N 2 2 356.492 0.527 20 0 FCADLP C[N@H+](Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172258 493000768 /nfs/dbraw/zinc/00/07/68/493000768.db2.gz KETVNECPPMTQJA-CQSZACIVSA-N 2 2 356.492 0.527 20 0 FCADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172258 493000770 /nfs/dbraw/zinc/00/07/70/493000770.db2.gz KETVNECPPMTQJA-CQSZACIVSA-N 2 2 356.492 0.527 20 0 FCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646033904 493003502 /nfs/dbraw/zinc/00/35/02/493003502.db2.gz UXKSSDURLRHQEB-OAHLLOKOSA-N 2 2 365.441 1.420 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652724204 493004188 /nfs/dbraw/zinc/00/41/88/493004188.db2.gz YPRWDOTWQZWDKB-MRXNPFEDSA-N 2 2 373.501 0.793 20 0 FCADLP [NH3+]C1(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC000646049712 493009000 /nfs/dbraw/zinc/00/90/00/493009000.db2.gz SIRZQWUFFZPQTJ-UHFFFAOYSA-N 2 2 360.462 0.233 20 0 FCADLP [NH3+]C1(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000646049712 493009003 /nfs/dbraw/zinc/00/90/03/493009003.db2.gz SIRZQWUFFZPQTJ-UHFFFAOYSA-N 2 2 360.462 0.233 20 0 FCADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513728 493014702 /nfs/dbraw/zinc/01/47/02/493014702.db2.gz INVODKJPQDTISI-YLJYHZDGSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513728 493014707 /nfs/dbraw/zinc/01/47/07/493014707.db2.gz INVODKJPQDTISI-YLJYHZDGSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@H]2C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513728 493014710 /nfs/dbraw/zinc/01/47/10/493014710.db2.gz INVODKJPQDTISI-YLJYHZDGSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@H]2C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513728 493014715 /nfs/dbraw/zinc/01/47/15/493014715.db2.gz INVODKJPQDTISI-YLJYHZDGSA-N 2 2 372.469 0.592 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559142 493019716 /nfs/dbraw/zinc/01/97/16/493019716.db2.gz OFUKCWAMDVGJQF-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559142 493019720 /nfs/dbraw/zinc/01/97/20/493019720.db2.gz OFUKCWAMDVGJQF-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639559142 493019725 /nfs/dbraw/zinc/01/97/25/493019725.db2.gz OFUKCWAMDVGJQF-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639559142 493019728 /nfs/dbraw/zinc/01/97/28/493019728.db2.gz OFUKCWAMDVGJQF-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703084 493035700 /nfs/dbraw/zinc/03/57/00/493035700.db2.gz XSVGEKCILHRULG-HOCLYGCPSA-N 2 2 350.463 0.597 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703084 493035702 /nfs/dbraw/zinc/03/57/02/493035702.db2.gz XSVGEKCILHRULG-HOCLYGCPSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703084 493035705 /nfs/dbraw/zinc/03/57/05/493035705.db2.gz XSVGEKCILHRULG-HOCLYGCPSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703084 493035708 /nfs/dbraw/zinc/03/57/08/493035708.db2.gz XSVGEKCILHRULG-HOCLYGCPSA-N 2 2 350.463 0.597 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1 ZINC000646440867 493048554 /nfs/dbraw/zinc/04/85/54/493048554.db2.gz JKUUAVSHDYQFPG-ZBFHGGJFSA-N 2 2 350.467 0.390 20 0 FCADLP CC(C)[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646457769 493050741 /nfs/dbraw/zinc/05/07/41/493050741.db2.gz DMITVUURYAHZJD-ZHALLVOQSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646457769 493050743 /nfs/dbraw/zinc/05/07/43/493050743.db2.gz DMITVUURYAHZJD-ZHALLVOQSA-N 2 2 366.550 0.826 20 0 FCADLP C[N@@H+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H](CO)C1 ZINC000639873087 493063532 /nfs/dbraw/zinc/06/35/32/493063532.db2.gz YTDXJMRBLCKQHJ-SFHVURJKSA-N 2 2 362.474 0.066 20 0 FCADLP C[N@H+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H](CO)C1 ZINC000639873087 493063536 /nfs/dbraw/zinc/06/35/36/493063536.db2.gz YTDXJMRBLCKQHJ-SFHVURJKSA-N 2 2 362.474 0.066 20 0 FCADLP CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060847 493065428 /nfs/dbraw/zinc/06/54/28/493065428.db2.gz ULFBWSIEEFKOJJ-ZDUSSCGKSA-N 2 2 371.507 0.220 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626929233 493065578 /nfs/dbraw/zinc/06/55/78/493065578.db2.gz RCEYQORARGOMJT-OAHLLOKOSA-N 2 2 354.418 0.502 20 0 FCADLP C[C@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000626933898 493066423 /nfs/dbraw/zinc/06/64/23/493066423.db2.gz PLPGSBRPYYSCSM-NVXWUHKLSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000653078627 493066989 /nfs/dbraw/zinc/06/69/89/493066989.db2.gz GDQXDQFLMSPAOD-JSGCOSHPSA-N 2 2 363.380 0.840 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000653078712 493067154 /nfs/dbraw/zinc/06/71/54/493067154.db2.gz IPFWQYRCFCLBSZ-SJORKVTESA-N 2 2 362.474 0.491 20 0 FCADLP CN(Cc1ccccc1)C(=O)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653073482 493067161 /nfs/dbraw/zinc/06/71/61/493067161.db2.gz BOMDCGWJLMMBAX-QGZVFWFLSA-N 2 2 361.490 0.662 20 0 FCADLP COc1cccc(CC(=O)N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653080560 493067971 /nfs/dbraw/zinc/06/79/71/493067971.db2.gz LIHOZRRUKZINMI-KRWDZBQOSA-N 2 2 362.474 0.188 20 0 FCADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000626943733 493068678 /nfs/dbraw/zinc/06/86/78/493068678.db2.gz HXKSNJRTJOCWPT-MSOLQXFVSA-N 2 2 362.474 0.656 20 0 FCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000653085098 493068759 /nfs/dbraw/zinc/06/87/59/493068759.db2.gz CQNGUBGVJKXYQB-WFASDCNBSA-N 2 2 356.492 0.393 20 0 FCADLP COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)N2CCOCC2)cc1 ZINC000653105331 493070533 /nfs/dbraw/zinc/07/05/33/493070533.db2.gz QPVKUFWDQDSYLO-MSOLQXFVSA-N 2 2 364.490 0.464 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2=O)c1 ZINC000653100758 493070901 /nfs/dbraw/zinc/07/09/01/493070901.db2.gz XRTZNUFWDKMULO-HZPDHXFCSA-N 2 2 364.446 0.204 20 0 FCADLP C[C@@H]1CN(Cc2csc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000653107593 493071753 /nfs/dbraw/zinc/07/17/53/493071753.db2.gz PRNOXFHTVLMZEN-YRGRVCCFSA-N 2 2 355.508 0.970 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653124276 493074690 /nfs/dbraw/zinc/07/46/90/493074690.db2.gz WNOGJLCPFUJBHC-CXAGYDPISA-N 2 2 350.463 0.678 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000653154717 493079264 /nfs/dbraw/zinc/07/92/64/493079264.db2.gz ZBPFWIIWJNQGMI-KGLIPLIRSA-N 2 2 372.391 0.984 20 0 FCADLP CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653155316 493079417 /nfs/dbraw/zinc/07/94/17/493079417.db2.gz OVGBPVFUMSCRKJ-MRXNPFEDSA-N 2 2 370.519 0.516 20 0 FCADLP C(CN1C[C@@H]2C[C@H]1C[N@H+]2CCCN1CCOCC1)C[NH+]1CCOCC1 ZINC000640048515 493079727 /nfs/dbraw/zinc/07/97/27/493079727.db2.gz BGAHUKSWIVNAKB-OALUTQOASA-N 2 2 352.523 0.190 20 0 FCADLP C(CN1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1CCOCC1)C[NH+]1CCOCC1 ZINC000640048515 493079729 /nfs/dbraw/zinc/07/97/29/493079729.db2.gz BGAHUKSWIVNAKB-OALUTQOASA-N 2 2 352.523 0.190 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)cn21 ZINC000627011229 493080465 /nfs/dbraw/zinc/08/04/65/493080465.db2.gz ZBPMCUBGZSWAGY-OAHLLOKOSA-N 2 2 354.418 0.768 20 0 FCADLP COc1ccc(CN2CC[C@@H]([N@H+](C)CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000640064417 493082169 /nfs/dbraw/zinc/08/21/69/493082169.db2.gz VOFRITUEKIZKIQ-GOSISDBHSA-N 2 2 374.485 0.502 20 0 FCADLP COc1ccc(CN2CC[C@@H]([N@@H+](C)CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000640064417 493082173 /nfs/dbraw/zinc/08/21/73/493082173.db2.gz VOFRITUEKIZKIQ-GOSISDBHSA-N 2 2 374.485 0.502 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000632754362 493085148 /nfs/dbraw/zinc/08/51/48/493085148.db2.gz REDHBWJTJQUMNJ-MRXNPFEDSA-N 2 2 355.442 0.753 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000632754362 493085151 /nfs/dbraw/zinc/08/51/51/493085151.db2.gz REDHBWJTJQUMNJ-MRXNPFEDSA-N 2 2 355.442 0.753 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000653274299 493088079 /nfs/dbraw/zinc/08/80/79/493088079.db2.gz CHXOMDSGUKTQFX-QGZVFWFLSA-N 2 2 365.478 0.228 20 0 FCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCOCCOC)CC2)C1(C)C ZINC000653276188 493088322 /nfs/dbraw/zinc/08/83/22/493088322.db2.gz XKUCHZSVLVQJAN-YJBOKZPZSA-N 2 2 357.495 0.326 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000632858369 493093638 /nfs/dbraw/zinc/09/36/38/493093638.db2.gz MWFLAVWNBMBTGC-UHFFFAOYSA-N 2 2 358.450 0.553 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000632917459 493096086 /nfs/dbraw/zinc/09/60/86/493096086.db2.gz GQBSHMFXQWNXCE-SHTZXODSSA-N 2 2 350.467 0.854 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000653355164 493098552 /nfs/dbraw/zinc/09/85/52/493098552.db2.gz LFWNCPUZMRMLOA-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000653355164 493098554 /nfs/dbraw/zinc/09/85/54/493098554.db2.gz LFWNCPUZMRMLOA-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1OC ZINC000646833775 493108363 /nfs/dbraw/zinc/10/83/63/493108363.db2.gz WPLDMFHGRHQJKQ-CQSZACIVSA-N 2 2 351.447 0.746 20 0 FCADLP COc1ccc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1OC ZINC000646833775 493108366 /nfs/dbraw/zinc/10/83/66/493108366.db2.gz WPLDMFHGRHQJKQ-CQSZACIVSA-N 2 2 351.447 0.746 20 0 FCADLP Cc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c(C)c12 ZINC000646835572 493109194 /nfs/dbraw/zinc/10/91/94/493109194.db2.gz KTJGSFDGQMHAGN-HNNXBMFYSA-N 2 2 358.490 0.927 20 0 FCADLP Cc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c(C)c12 ZINC000646835572 493109197 /nfs/dbraw/zinc/10/91/97/493109197.db2.gz KTJGSFDGQMHAGN-HNNXBMFYSA-N 2 2 358.490 0.927 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653383431 493110197 /nfs/dbraw/zinc/11/01/97/493110197.db2.gz OOGDNTINAFIESL-FUHWJXTLSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653383431 493110200 /nfs/dbraw/zinc/11/02/00/493110200.db2.gz OOGDNTINAFIESL-FUHWJXTLSA-N 2 2 360.502 0.828 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633077165 493116092 /nfs/dbraw/zinc/11/60/92/493116092.db2.gz SDTOGCVZFQPYOH-MRXNPFEDSA-N 2 2 358.490 0.831 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633077165 493116094 /nfs/dbraw/zinc/11/60/94/493116094.db2.gz SDTOGCVZFQPYOH-MRXNPFEDSA-N 2 2 358.490 0.831 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000646876243 493116775 /nfs/dbraw/zinc/11/67/75/493116775.db2.gz WHPHPFSCAYXDDQ-JKSUJKDBSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640608691 493121089 /nfs/dbraw/zinc/12/10/89/493121089.db2.gz ZVCSDRIDKKPPLU-AWEZNQCLSA-N 2 2 374.489 0.960 20 0 FCADLP CN(C)c1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000640604226 493121295 /nfs/dbraw/zinc/12/12/95/493121295.db2.gz LQZGBYIFJTYFFW-HNNXBMFYSA-N 2 2 360.462 0.918 20 0 FCADLP CN(C)c1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000640604226 493121298 /nfs/dbraw/zinc/12/12/98/493121298.db2.gz LQZGBYIFJTYFFW-HNNXBMFYSA-N 2 2 360.462 0.918 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000633090870 493121442 /nfs/dbraw/zinc/12/14/42/493121442.db2.gz XLVVGVMFLMPXFA-RYRKJORJSA-N 2 2 358.486 0.773 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000633090870 493121445 /nfs/dbraw/zinc/12/14/45/493121445.db2.gz XLVVGVMFLMPXFA-RYRKJORJSA-N 2 2 358.486 0.773 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2nnc([C@H]3CCCO3)s2)CC1 ZINC000640735661 493126409 /nfs/dbraw/zinc/12/64/09/493126409.db2.gz OSNNBMZQWHARLZ-CYBMUJFWSA-N 2 2 368.507 1.537 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000633117386 493133224 /nfs/dbraw/zinc/13/32/24/493133224.db2.gz CJJDDYLITSPDEY-UKRRQHHQSA-N 2 2 359.474 0.874 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000627291097 493135403 /nfs/dbraw/zinc/13/54/03/493135403.db2.gz KFVYOYFBXAYECC-CVEARBPZSA-N 2 2 362.474 0.989 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000627291098 493135646 /nfs/dbraw/zinc/13/56/46/493135646.db2.gz KFVYOYFBXAYECC-HOTGVXAUSA-N 2 2 362.474 0.989 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000627293571 493137410 /nfs/dbraw/zinc/13/74/10/493137410.db2.gz WOMYZCSDWNHHRW-QGZVFWFLSA-N 2 2 355.442 0.945 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000627293478 493137715 /nfs/dbraw/zinc/13/77/15/493137715.db2.gz UYYKOAUZCANYRF-OAHLLOKOSA-N 2 2 370.881 0.493 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000646978091 493138933 /nfs/dbraw/zinc/13/89/33/493138933.db2.gz QGEMJJKSBYEWLW-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000646978091 493138936 /nfs/dbraw/zinc/13/89/36/493138936.db2.gz QGEMJJKSBYEWLW-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)(CNC(=O)Cn1cc([C@H]([NH3+])c2ccccc2)nn1)[NH+]1CCOCC1 ZINC000640867401 493139349 /nfs/dbraw/zinc/13/93/49/493139349.db2.gz TWIWXHHITCLCJA-GOSISDBHSA-N 2 2 372.473 0.553 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659094312 493149098 /nfs/dbraw/zinc/14/90/98/493149098.db2.gz JGZQDBRKEWJAQW-KGLIPLIRSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659094312 493149102 /nfs/dbraw/zinc/14/91/02/493149102.db2.gz JGZQDBRKEWJAQW-KGLIPLIRSA-N 2 2 360.458 0.496 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489150 493154796 /nfs/dbraw/zinc/15/47/96/493154796.db2.gz HLDJPULMRQQNRP-ZFWWWQNUSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489150 493154798 /nfs/dbraw/zinc/15/47/98/493154798.db2.gz HLDJPULMRQQNRP-ZFWWWQNUSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489150 493154800 /nfs/dbraw/zinc/15/48/00/493154800.db2.gz HLDJPULMRQQNRP-ZFWWWQNUSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489150 493154802 /nfs/dbraw/zinc/15/48/02/493154802.db2.gz HLDJPULMRQQNRP-ZFWWWQNUSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489147 493154831 /nfs/dbraw/zinc/15/48/31/493154831.db2.gz HLDJPULMRQQNRP-DZGCQCFKSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489147 493154835 /nfs/dbraw/zinc/15/48/35/493154835.db2.gz HLDJPULMRQQNRP-DZGCQCFKSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489147 493154838 /nfs/dbraw/zinc/15/48/38/493154838.db2.gz HLDJPULMRQQNRP-DZGCQCFKSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489147 493154841 /nfs/dbraw/zinc/15/48/41/493154841.db2.gz HLDJPULMRQQNRP-DZGCQCFKSA-N 2 2 359.492 0.266 20 0 FCADLP [NH3+]CCOCc1cn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000641031159 493162803 /nfs/dbraw/zinc/16/28/03/493162803.db2.gz DLAHYXSBYCDSTL-UHFFFAOYSA-N 2 2 364.475 0.159 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CO1 ZINC000647184127 493173744 /nfs/dbraw/zinc/17/37/44/493173744.db2.gz IIXOWJORFJMUKR-GOEBONIOSA-N 2 2 353.488 0.890 20 0 FCADLP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659284244 493183473 /nfs/dbraw/zinc/18/34/73/493183473.db2.gz CTKDDFBRXUJOJY-RHSMWYFYSA-N 2 2 358.446 0.256 20 0 FCADLP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659284244 493183478 /nfs/dbraw/zinc/18/34/78/493183478.db2.gz CTKDDFBRXUJOJY-RHSMWYFYSA-N 2 2 358.446 0.256 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000653895509 493194074 /nfs/dbraw/zinc/19/40/74/493194074.db2.gz ALMIXEKERQKRCQ-MRXNPFEDSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000653895509 493194078 /nfs/dbraw/zinc/19/40/78/493194078.db2.gz ALMIXEKERQKRCQ-MRXNPFEDSA-N 2 2 361.486 0.980 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000627390476 493197071 /nfs/dbraw/zinc/19/70/71/493197071.db2.gz NBWXURHBNXIOBN-RYUDHWBXSA-N 2 2 361.368 0.375 20 0 FCADLP COCC1(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC[NH2+]CC1 ZINC000659537888 493208646 /nfs/dbraw/zinc/20/86/46/493208646.db2.gz BDXYSONXHKDMKB-UHFFFAOYSA-N 2 2 368.522 0.756 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000666663559 493211693 /nfs/dbraw/zinc/21/16/93/493211693.db2.gz PXKRZPFNBAARQL-QGZVFWFLSA-N 2 2 368.522 0.730 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000666663559 493211697 /nfs/dbraw/zinc/21/16/97/493211697.db2.gz PXKRZPFNBAARQL-QGZVFWFLSA-N 2 2 368.522 0.730 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666663208 493212546 /nfs/dbraw/zinc/21/25/46/493212546.db2.gz KRNLGKORSIZUNS-HNNXBMFYSA-N 2 2 365.522 0.985 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666663208 493212549 /nfs/dbraw/zinc/21/25/49/493212549.db2.gz KRNLGKORSIZUNS-HNNXBMFYSA-N 2 2 365.522 0.985 20 0 FCADLP COc1ccc(N2C[C@@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000659563904 493213919 /nfs/dbraw/zinc/21/39/19/493213919.db2.gz CMTHOOMTHIBDQC-DZGCQCFKSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccc(N2C[C@@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000659563904 493213926 /nfs/dbraw/zinc/21/39/26/493213926.db2.gz CMTHOOMTHIBDQC-DZGCQCFKSA-N 2 2 361.446 0.085 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659572421 493214870 /nfs/dbraw/zinc/21/48/70/493214870.db2.gz TWHMCLDUJZWQMF-HNNXBMFYSA-N 2 2 369.510 0.126 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000666691994 493217479 /nfs/dbraw/zinc/21/74/79/493217479.db2.gz INEZEUIRYJQXOB-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP CC[C@H]1C(=O)N(CC)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681791973 493217724 /nfs/dbraw/zinc/21/77/24/493217724.db2.gz SKTFTYCEDSZOBN-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP CC[C@H]1C(=O)N(CC)CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681791973 493217725 /nfs/dbraw/zinc/21/77/25/493217725.db2.gz SKTFTYCEDSZOBN-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP Cc1ccncc1[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638032 493220160 /nfs/dbraw/zinc/22/01/60/493220160.db2.gz QPEMVBXKDIMMNH-CVEARBPZSA-N 2 2 373.501 0.852 20 0 FCADLP Cc1ccncc1[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638032 493220164 /nfs/dbraw/zinc/22/01/64/493220164.db2.gz QPEMVBXKDIMMNH-CVEARBPZSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](c1cccnc1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638745 493222187 /nfs/dbraw/zinc/22/21/87/493222187.db2.gz IEGXILHCLPWZFE-WBVHZDCISA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1cccnc1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638745 493222189 /nfs/dbraw/zinc/22/21/89/493222189.db2.gz IEGXILHCLPWZFE-WBVHZDCISA-N 2 2 373.501 0.886 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000659629510 493222901 /nfs/dbraw/zinc/22/29/01/493222901.db2.gz VURHPYCXYMLJTF-UHFFFAOYSA-N 2 2 357.418 0.636 20 0 FCADLP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640287 493223520 /nfs/dbraw/zinc/22/35/20/493223520.db2.gz YXWVEDROZOUKDO-OAGGEKHMSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640287 493223524 /nfs/dbraw/zinc/22/35/24/493223524.db2.gz YXWVEDROZOUKDO-OAGGEKHMSA-N 2 2 350.507 0.824 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639957 493223828 /nfs/dbraw/zinc/22/38/28/493223828.db2.gz PTDCSCVQAHWZDM-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639957 493223830 /nfs/dbraw/zinc/22/38/30/493223830.db2.gz PTDCSCVQAHWZDM-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP Cc1cscc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640924 493223888 /nfs/dbraw/zinc/22/38/88/493223888.db2.gz MGANXFJGTQJEKK-HNNXBMFYSA-N 2 2 364.515 0.957 20 0 FCADLP Cc1cscc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640924 493223891 /nfs/dbraw/zinc/22/38/91/493223891.db2.gz MGANXFJGTQJEKK-HNNXBMFYSA-N 2 2 364.515 0.957 20 0 FCADLP CC(C)OCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640790 493224838 /nfs/dbraw/zinc/22/48/38/493224838.db2.gz AENVFPAMNGMKQU-MRXNPFEDSA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)OCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640790 493224840 /nfs/dbraw/zinc/22/48/40/493224840.db2.gz AENVFPAMNGMKQU-MRXNPFEDSA-N 2 2 368.522 0.593 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000672642500 493225836 /nfs/dbraw/zinc/22/58/36/493225836.db2.gz MIMJRJMRTVYEAE-GOSISDBHSA-N 2 2 370.497 0.856 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000672642500 493225837 /nfs/dbraw/zinc/22/58/37/493225837.db2.gz MIMJRJMRTVYEAE-GOSISDBHSA-N 2 2 370.497 0.856 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCSC3)C2)CC1 ZINC000672641769 493226003 /nfs/dbraw/zinc/22/60/03/493226003.db2.gz TVSZEYKVSJLODJ-KBPBESRZSA-N 2 2 354.520 0.140 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCSC3)C2)CC1 ZINC000672641769 493226004 /nfs/dbraw/zinc/22/60/04/493226004.db2.gz TVSZEYKVSJLODJ-KBPBESRZSA-N 2 2 354.520 0.140 20 0 FCADLP C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642137 493226309 /nfs/dbraw/zinc/22/63/09/493226309.db2.gz YNFOBBPXPISUPI-JKSUJKDBSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642137 493226313 /nfs/dbraw/zinc/22/63/13/493226313.db2.gz YNFOBBPXPISUPI-JKSUJKDBSA-N 2 2 373.501 0.886 20 0 FCADLP Cc1cnccc1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641400 493226391 /nfs/dbraw/zinc/22/63/91/493226391.db2.gz PWSWPSFYBGQNEM-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1cnccc1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641400 493226394 /nfs/dbraw/zinc/22/63/94/493226394.db2.gz PWSWPSFYBGQNEM-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642109 493226423 /nfs/dbraw/zinc/22/64/23/493226423.db2.gz XXUDLPAODXJKNK-HOCLYGCPSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642109 493226425 /nfs/dbraw/zinc/22/64/25/493226425.db2.gz XXUDLPAODXJKNK-HOCLYGCPSA-N 2 2 368.547 0.625 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000659640702 493227357 /nfs/dbraw/zinc/22/73/57/493227357.db2.gz IJKPJJHAOXOQLZ-IIAWOOMASA-N 2 2 362.478 0.866 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672706467 493237672 /nfs/dbraw/zinc/23/76/72/493237672.db2.gz BVNASSIABNHKPK-IYBDPMFKSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672706467 493237676 /nfs/dbraw/zinc/23/76/76/493237676.db2.gz BVNASSIABNHKPK-IYBDPMFKSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672706467 493237677 /nfs/dbraw/zinc/23/76/77/493237677.db2.gz BVNASSIABNHKPK-IYBDPMFKSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672706467 493237679 /nfs/dbraw/zinc/23/76/79/493237679.db2.gz BVNASSIABNHKPK-IYBDPMFKSA-N 2 2 356.511 0.584 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000666974500 493243301 /nfs/dbraw/zinc/24/33/01/493243301.db2.gz RTJJUBPFHFJLIH-ROUUACIJSA-N 2 2 366.506 0.746 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978204 493244994 /nfs/dbraw/zinc/24/49/94/493244994.db2.gz UJNYKDDJOGLYMF-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000659682754 493249713 /nfs/dbraw/zinc/24/97/13/493249713.db2.gz HVUDIIFWNNQOFU-AWEZNQCLSA-N 2 2 361.421 0.961 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000659688385 493254515 /nfs/dbraw/zinc/25/45/15/493254515.db2.gz YQFZPUZCLRJDFB-OAHLLOKOSA-N 2 2 357.458 0.856 20 0 FCADLP Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993234 493259125 /nfs/dbraw/zinc/25/91/25/493259125.db2.gz FCMOBNNHUNRPAQ-CQSZACIVSA-N 2 2 357.462 0.709 20 0 FCADLP Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993234 493259127 /nfs/dbraw/zinc/25/91/27/493259127.db2.gz FCMOBNNHUNRPAQ-CQSZACIVSA-N 2 2 357.462 0.709 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659699595 493260060 /nfs/dbraw/zinc/26/00/60/493260060.db2.gz YUBQXFVZOIGSJA-RDJZCZTQSA-N 2 2 366.506 0.062 20 0 FCADLP CC1(C)CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000682009646 493262315 /nfs/dbraw/zinc/26/23/15/493262315.db2.gz CKDPRWWDNINKEZ-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP CC1(C)CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000682009646 493262320 /nfs/dbraw/zinc/26/23/20/493262320.db2.gz CKDPRWWDNINKEZ-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP CC1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000682009646 493262324 /nfs/dbraw/zinc/26/23/24/493262324.db2.gz CKDPRWWDNINKEZ-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP CC1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000682009646 493262327 /nfs/dbraw/zinc/26/23/27/493262327.db2.gz CKDPRWWDNINKEZ-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000667197840 493265737 /nfs/dbraw/zinc/26/57/37/493265737.db2.gz BOGFCEHJDULNFS-KRWDZBQOSA-N 2 2 363.462 0.916 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000667197840 493265739 /nfs/dbraw/zinc/26/57/39/493265739.db2.gz BOGFCEHJDULNFS-KRWDZBQOSA-N 2 2 363.462 0.916 20 0 FCADLP C[C@H](NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000659715875 493269830 /nfs/dbraw/zinc/26/98/30/493269830.db2.gz RPNFXIUGSUWAHI-LSDHHAIUSA-N 2 2 359.474 0.802 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CCC[NH2+]C1 ZINC000659723171 493272594 /nfs/dbraw/zinc/27/25/94/493272594.db2.gz KTNPBEGAFLWISS-LJQANCHMSA-N 2 2 359.474 0.804 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659723825 493272677 /nfs/dbraw/zinc/27/26/77/493272677.db2.gz KWPQHFOFKXVRES-UHFFFAOYSA-N 2 2 357.458 0.724 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cc4n(n3)CCCC4)C2)CC1 ZINC000672969778 493272951 /nfs/dbraw/zinc/27/29/51/493272951.db2.gz MUVAYMUFIOYPQF-AWEZNQCLSA-N 2 2 374.489 0.443 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cc4n(n3)CCCC4)C2)CC1 ZINC000672969778 493272954 /nfs/dbraw/zinc/27/29/54/493272954.db2.gz MUVAYMUFIOYPQF-AWEZNQCLSA-N 2 2 374.489 0.443 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sn1 ZINC000672969792 493273078 /nfs/dbraw/zinc/27/30/78/493273078.db2.gz OBHYFUYUDRHQCO-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sn1 ZINC000672969792 493273080 /nfs/dbraw/zinc/27/30/80/493273080.db2.gz OBHYFUYUDRHQCO-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000641667616 493273309 /nfs/dbraw/zinc/27/33/09/493273309.db2.gz HEAZXCLSNUXETR-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000641667616 493273313 /nfs/dbraw/zinc/27/33/13/493273313.db2.gz HEAZXCLSNUXETR-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733242 493277922 /nfs/dbraw/zinc/27/79/22/493277922.db2.gz RKVYUEAKBRGKMP-UHFFFAOYSA-N 2 2 361.368 0.792 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732834 493278216 /nfs/dbraw/zinc/27/82/16/493278216.db2.gz OQDRGGQDVPVGGG-HNNXBMFYSA-N 2 2 359.474 0.675 20 0 FCADLP Cc1cncc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000682229124 493280954 /nfs/dbraw/zinc/28/09/54/493280954.db2.gz JTRNWUBCDRPIMH-QGZVFWFLSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1cncc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000682229124 493280957 /nfs/dbraw/zinc/28/09/57/493280957.db2.gz JTRNWUBCDRPIMH-QGZVFWFLSA-N 2 2 359.474 0.955 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659745014 493283256 /nfs/dbraw/zinc/28/32/56/493283256.db2.gz OFLUSVCEKQHHLV-XRTORIHISA-N 2 2 356.470 0.588 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659745014 493283257 /nfs/dbraw/zinc/28/32/57/493283257.db2.gz OFLUSVCEKQHHLV-XRTORIHISA-N 2 2 356.470 0.588 20 0 FCADLP Cc1csc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000682270904 493284447 /nfs/dbraw/zinc/28/44/47/493284447.db2.gz OSEXFNPIQHLNQE-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1csc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000682270904 493284449 /nfs/dbraw/zinc/28/44/49/493284449.db2.gz OSEXFNPIQHLNQE-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP CCc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682270973 493284655 /nfs/dbraw/zinc/28/46/55/493284655.db2.gz QXFPFFLIZSFMKX-CQSZACIVSA-N 2 2 362.478 0.206 20 0 FCADLP CCc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682270973 493284658 /nfs/dbraw/zinc/28/46/58/493284658.db2.gz QXFPFFLIZSFMKX-CQSZACIVSA-N 2 2 362.478 0.206 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(C)([NH3+])CC3)c2)CC1 ZINC000667514274 493287868 /nfs/dbraw/zinc/28/78/68/493287868.db2.gz GSUGFUGWILLBIU-UHFFFAOYSA-N 2 2 373.501 0.712 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000659816455 493292260 /nfs/dbraw/zinc/29/22/60/493292260.db2.gz LHRGELVJINMVBS-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673180952 493300178 /nfs/dbraw/zinc/30/01/78/493300178.db2.gz KLGJWCNKAFTMSR-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673180952 493300180 /nfs/dbraw/zinc/30/01/80/493300180.db2.gz KLGJWCNKAFTMSR-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000673275032 493309964 /nfs/dbraw/zinc/30/99/64/493309964.db2.gz AGFWWHANBAKRBA-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682613285 493313809 /nfs/dbraw/zinc/31/38/09/493313809.db2.gz HLHFEOYPRKBWNT-KRWDZBQOSA-N 3 2 355.527 0.375 20 0 FCADLP CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682613285 493313811 /nfs/dbraw/zinc/31/38/11/493313811.db2.gz HLHFEOYPRKBWNT-KRWDZBQOSA-N 3 2 355.527 0.375 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337272 493319086 /nfs/dbraw/zinc/31/90/86/493319086.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337272 493319089 /nfs/dbraw/zinc/31/90/89/493319089.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337272 493319092 /nfs/dbraw/zinc/31/90/92/493319092.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337272 493319094 /nfs/dbraw/zinc/31/90/94/493319094.db2.gz FPDFDRJXYCEKKO-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000682901230 493325712 /nfs/dbraw/zinc/32/57/12/493325712.db2.gz DMCYIJXKMXYRED-KBPBESRZSA-N 2 2 356.430 0.819 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000660694553 493373081 /nfs/dbraw/zinc/37/30/81/493373081.db2.gz DZCLQIWNQQHEAG-HZPDHXFCSA-N 2 2 368.522 0.171 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668569993 493377140 /nfs/dbraw/zinc/37/71/40/493377140.db2.gz LQHWRYDIDCVSJF-WBVHZDCISA-N 2 2 355.442 0.779 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000668569993 493377144 /nfs/dbraw/zinc/37/71/44/493377144.db2.gz LQHWRYDIDCVSJF-WBVHZDCISA-N 2 2 355.442 0.779 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979982 493379538 /nfs/dbraw/zinc/37/95/38/493379538.db2.gz KVDSSHBOEUOVEI-YJBOKZPZSA-N 3 2 369.579 0.891 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979982 493379540 /nfs/dbraw/zinc/37/95/40/493379540.db2.gz KVDSSHBOEUOVEI-YJBOKZPZSA-N 3 2 369.579 0.891 20 0 FCADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000668586134 493380993 /nfs/dbraw/zinc/38/09/93/493380993.db2.gz HDHLAALZYLKCAD-LSDHHAIUSA-N 2 2 368.503 0.799 20 0 FCADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668633940 493387815 /nfs/dbraw/zinc/38/78/15/493387815.db2.gz WHWQYMDZWPODLI-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000684435353 493412388 /nfs/dbraw/zinc/41/23/88/493412388.db2.gz YUNYVRHJBBWDKM-CVEARBPZSA-N 2 2 372.473 0.894 20 0 FCADLP CNC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660513 493427159 /nfs/dbraw/zinc/42/71/59/493427159.db2.gz MBSVLFOIWKARIT-RDTXWAMCSA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660513 493427161 /nfs/dbraw/zinc/42/71/61/493427161.db2.gz MBSVLFOIWKARIT-RDTXWAMCSA-N 2 2 351.495 0.323 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661367914 493430704 /nfs/dbraw/zinc/43/07/04/493430704.db2.gz OQXOEAXXOTUKGX-WOSRLPQWSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661367914 493430705 /nfs/dbraw/zinc/43/07/05/493430705.db2.gz OQXOEAXXOTUKGX-WOSRLPQWSA-N 2 2 362.478 0.912 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCc3ccco3)C2)CC1 ZINC000668910135 493434920 /nfs/dbraw/zinc/43/49/20/493434920.db2.gz DPOYCFKYNPARMW-HNNXBMFYSA-N 2 2 362.474 0.613 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCc3ccco3)C2)CC1 ZINC000668910135 493434922 /nfs/dbraw/zinc/43/49/22/493434922.db2.gz DPOYCFKYNPARMW-HNNXBMFYSA-N 2 2 362.474 0.613 20 0 FCADLP NC(=O)C1([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000661594015 493448839 /nfs/dbraw/zinc/44/88/39/493448839.db2.gz LWUHHBSAOBQJCL-UHFFFAOYSA-N 2 2 366.487 0.016 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596483 493450004 /nfs/dbraw/zinc/45/00/04/493450004.db2.gz JCGFEEHBJXCBCO-IXDOHACOSA-N 2 2 371.485 0.719 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596483 493450006 /nfs/dbraw/zinc/45/00/06/493450006.db2.gz JCGFEEHBJXCBCO-IXDOHACOSA-N 2 2 371.485 0.719 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608007 493452293 /nfs/dbraw/zinc/45/22/93/493452293.db2.gz KMZKVIJPNKINKH-MOPGFXCFSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608007 493452296 /nfs/dbraw/zinc/45/22/96/493452296.db2.gz KMZKVIJPNKINKH-MOPGFXCFSA-N 2 2 370.497 0.931 20 0 FCADLP Cc1[nH+]c(NC[C@@](C)(O)C[NH+](C)C)nc(NC[C@](C)(O)C[NH+](C)C)c1F ZINC000685273075 493471010 /nfs/dbraw/zinc/47/10/10/493471010.db2.gz PPGSDGCEVRODFX-DLBZAZTESA-N 3 2 372.489 0.373 20 0 FCADLP CN(C(=O)[C@H]1CC12CCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000675327646 493477338 /nfs/dbraw/zinc/47/73/38/493477338.db2.gz RRHIXVMRSIKZEP-QGZVFWFLSA-N 2 2 362.518 0.873 20 0 FCADLP O=C(NCC[NH2+]C1CC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000669420048 493502940 /nfs/dbraw/zinc/50/29/40/493502940.db2.gz QOTWENCROVSBTE-UHFFFAOYSA-N 2 2 362.474 0.949 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000669467862 493505082 /nfs/dbraw/zinc/50/50/82/493505082.db2.gz COYWRIDRYJDWEX-KBPBESRZSA-N 2 2 353.417 0.828 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000669467862 493505083 /nfs/dbraw/zinc/50/50/83/493505083.db2.gz COYWRIDRYJDWEX-KBPBESRZSA-N 2 2 353.417 0.828 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669491570 493507628 /nfs/dbraw/zinc/50/76/28/493507628.db2.gz DEAUFLPKANYDHG-IAGOWNOFSA-N 2 2 363.506 0.182 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnn(C)c2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685786086 493514980 /nfs/dbraw/zinc/51/49/80/493514980.db2.gz XHDWEMPVUCMTEF-GOEBONIOSA-N 2 2 360.506 0.547 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnn(C)c2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685786086 493514981 /nfs/dbraw/zinc/51/49/81/493514981.db2.gz XHDWEMPVUCMTEF-GOEBONIOSA-N 2 2 360.506 0.547 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685790286 493515925 /nfs/dbraw/zinc/51/59/25/493515925.db2.gz NUNDCYHJVPCOBO-IMJJTQAJSA-N 2 2 365.478 0.318 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685790286 493515928 /nfs/dbraw/zinc/51/59/28/493515928.db2.gz NUNDCYHJVPCOBO-IMJJTQAJSA-N 2 2 365.478 0.318 20 0 FCADLP CCn1cc[nH+]c1CN1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662455864 493517397 /nfs/dbraw/zinc/51/73/97/493517397.db2.gz QLSBDAHAYIEANC-CQSZACIVSA-N 2 2 357.462 0.661 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669657696 493519242 /nfs/dbraw/zinc/51/92/42/493519242.db2.gz ZEDIQESSVCKHBR-YESZJQIVSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669657696 493519245 /nfs/dbraw/zinc/51/92/45/493519245.db2.gz ZEDIQESSVCKHBR-YESZJQIVSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662583188 493527118 /nfs/dbraw/zinc/52/71/18/493527118.db2.gz CQJIUVOGZGWIFW-MCIONIFRSA-N 2 2 350.467 0.430 20 0 FCADLP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662583188 493527120 /nfs/dbraw/zinc/52/71/20/493527120.db2.gz CQJIUVOGZGWIFW-MCIONIFRSA-N 2 2 350.467 0.430 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662624028 493528340 /nfs/dbraw/zinc/52/83/40/493528340.db2.gz QOOQOCYVZRRPBY-HNNXBMFYSA-N 2 2 355.446 0.955 20 0 FCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000662672388 493530969 /nfs/dbraw/zinc/53/09/69/493530969.db2.gz YETKUDVMHPFQKW-IAGOWNOFSA-N 2 2 360.458 0.570 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662694889 493532483 /nfs/dbraw/zinc/53/24/83/493532483.db2.gz CPKXIPFOFMUYPJ-UONOGXRCSA-N 2 2 367.437 0.853 20 0 FCADLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243673 493533943 /nfs/dbraw/zinc/53/39/43/493533943.db2.gz SBXIZYHZGFLCGM-ZMSDIMECSA-N 2 2 372.535 0.213 20 0 FCADLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243673 493533944 /nfs/dbraw/zinc/53/39/44/493533944.db2.gz SBXIZYHZGFLCGM-ZMSDIMECSA-N 2 2 372.535 0.213 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245849 493534363 /nfs/dbraw/zinc/53/43/63/493534363.db2.gz ANNJJXHSPQYFCC-HZMVEIRTSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245849 493534366 /nfs/dbraw/zinc/53/43/66/493534366.db2.gz ANNJJXHSPQYFCC-HZMVEIRTSA-N 2 2 354.495 0.648 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)CC1 ZINC000676307410 493544699 /nfs/dbraw/zinc/54/46/99/493544699.db2.gz UAOLZNXUKDHGGP-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP COCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000662901337 493550149 /nfs/dbraw/zinc/55/01/49/493550149.db2.gz VNNRYYXEWLSIBY-KRWDZBQOSA-N 3 2 352.523 0.630 20 0 FCADLP COCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000662901337 493550150 /nfs/dbraw/zinc/55/01/50/493550150.db2.gz VNNRYYXEWLSIBY-KRWDZBQOSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662932929 493556279 /nfs/dbraw/zinc/55/62/79/493556279.db2.gz NYHHCESBGHQNBO-DJIMGWMZSA-N 2 2 362.449 0.617 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662932929 493556280 /nfs/dbraw/zinc/55/62/80/493556280.db2.gz NYHHCESBGHQNBO-DJIMGWMZSA-N 2 2 362.449 0.617 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662940196 493557133 /nfs/dbraw/zinc/55/71/33/493557133.db2.gz KKVFRNZAXBUXLD-KRWDZBQOSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423134 493564885 /nfs/dbraw/zinc/56/48/85/493564885.db2.gz OOCIAKMTGLUAJT-ZBFHGGJFSA-N 2 2 359.474 0.544 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423134 493564886 /nfs/dbraw/zinc/56/48/86/493564886.db2.gz OOCIAKMTGLUAJT-ZBFHGGJFSA-N 2 2 359.474 0.544 20 0 FCADLP Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670425850 493565253 /nfs/dbraw/zinc/56/52/53/493565253.db2.gz QQUMLWGBFXFUCB-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1csc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670425850 493565255 /nfs/dbraw/zinc/56/52/55/493565255.db2.gz QQUMLWGBFXFUCB-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670450592 493569471 /nfs/dbraw/zinc/56/94/71/493569471.db2.gz SMWDWIZTCBLVLT-KRWDZBQOSA-N 2 2 358.486 0.930 20 0 FCADLP CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670450592 493569472 /nfs/dbraw/zinc/56/94/72/493569472.db2.gz SMWDWIZTCBLVLT-KRWDZBQOSA-N 2 2 358.486 0.930 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670501492 493575320 /nfs/dbraw/zinc/57/53/20/493575320.db2.gz MGBOQOOZUVPGLX-QGZVFWFLSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670501492 493575321 /nfs/dbraw/zinc/57/53/21/493575321.db2.gz MGBOQOOZUVPGLX-QGZVFWFLSA-N 2 2 358.486 0.896 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000670503419 493575728 /nfs/dbraw/zinc/57/57/28/493575728.db2.gz VOPRBEJBXVYHKP-UAGQMJEPSA-N 2 2 362.474 0.241 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670503419 493575729 /nfs/dbraw/zinc/57/57/29/493575729.db2.gz VOPRBEJBXVYHKP-UAGQMJEPSA-N 2 2 362.474 0.241 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000670629976 493581819 /nfs/dbraw/zinc/58/18/19/493581819.db2.gz BFNXULGQVQCYIP-SJORKVTESA-N 2 2 366.506 0.347 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639742 493584435 /nfs/dbraw/zinc/58/44/35/493584435.db2.gz AQTWDRAKIDXADI-KRWDZBQOSA-N 2 2 355.442 0.732 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639742 493584436 /nfs/dbraw/zinc/58/44/36/493584436.db2.gz AQTWDRAKIDXADI-KRWDZBQOSA-N 2 2 355.442 0.732 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000677114971 493585110 /nfs/dbraw/zinc/58/51/10/493585110.db2.gz UEHUAJQZYOPQLI-ZACQAIPSSA-N 2 2 359.474 0.901 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000670695462 493588324 /nfs/dbraw/zinc/58/83/24/493588324.db2.gz VYCAMWOFVUKTCF-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000670701841 493588882 /nfs/dbraw/zinc/58/88/82/493588882.db2.gz XMEJMKJPUAUXBD-SUMWQHHRSA-N 2 2 373.457 0.296 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000670701841 493588887 /nfs/dbraw/zinc/58/88/87/493588887.db2.gz XMEJMKJPUAUXBD-SUMWQHHRSA-N 2 2 373.457 0.296 20 0 FCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000663510475 493593312 /nfs/dbraw/zinc/59/33/12/493593312.db2.gz QNQOIRNNIKNUIH-AWEZNQCLSA-N 2 2 351.447 0.630 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000663543806 493595662 /nfs/dbraw/zinc/59/56/62/493595662.db2.gz RQLAFTBOMZRZHY-BRWVUGGUSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000670813593 493599444 /nfs/dbraw/zinc/59/94/44/493599444.db2.gz NSHQTFRCRDOKOM-ULQDDVLXSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000670813593 493599446 /nfs/dbraw/zinc/59/94/46/493599446.db2.gz NSHQTFRCRDOKOM-ULQDDVLXSA-N 2 2 366.506 0.202 20 0 FCADLP Cc1ccsc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670850389 493605991 /nfs/dbraw/zinc/60/59/91/493605991.db2.gz VFBAQTJSGKKZLA-AWEZNQCLSA-N 2 2 364.515 0.957 20 0 FCADLP Cc1ccsc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670850389 493605994 /nfs/dbraw/zinc/60/59/94/493605994.db2.gz VFBAQTJSGKKZLA-AWEZNQCLSA-N 2 2 364.515 0.957 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663656720 493610520 /nfs/dbraw/zinc/61/05/20/493610520.db2.gz XFOXKWTUXCYLEH-ZWKOTPCHSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663656720 493610522 /nfs/dbraw/zinc/61/05/22/493610522.db2.gz XFOXKWTUXCYLEH-ZWKOTPCHSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663656720 493610525 /nfs/dbraw/zinc/61/05/25/493610525.db2.gz XFOXKWTUXCYLEH-ZWKOTPCHSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663656720 493610526 /nfs/dbraw/zinc/61/05/26/493610526.db2.gz XFOXKWTUXCYLEH-ZWKOTPCHSA-N 2 2 369.554 0.813 20 0 FCADLP CN(C(=O)C(=O)NCc1ccsc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670914927 493611650 /nfs/dbraw/zinc/61/16/50/493611650.db2.gz HTGASLZMSGGCEM-MRXNPFEDSA-N 2 2 364.515 0.991 20 0 FCADLP CN(C(=O)C(=O)NCc1ccsc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670914927 493611653 /nfs/dbraw/zinc/61/16/53/493611653.db2.gz HTGASLZMSGGCEM-MRXNPFEDSA-N 2 2 364.515 0.991 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670982598 493619136 /nfs/dbraw/zinc/61/91/36/493619136.db2.gz GIUSEBKQGLCKIZ-MRXNPFEDSA-N 2 2 363.462 0.021 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677961640 493627131 /nfs/dbraw/zinc/62/71/31/493627131.db2.gz OSYVVUVAQYHTEF-IMJJTQAJSA-N 2 2 351.495 0.369 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677961640 493627132 /nfs/dbraw/zinc/62/71/32/493627132.db2.gz OSYVVUVAQYHTEF-IMJJTQAJSA-N 2 2 351.495 0.369 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000663970532 493628290 /nfs/dbraw/zinc/62/82/90/493628290.db2.gz OTTMGNDQZSHUFT-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000663970532 493628292 /nfs/dbraw/zinc/62/82/92/493628292.db2.gz OTTMGNDQZSHUFT-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663970532 493628293 /nfs/dbraw/zinc/62/82/93/493628293.db2.gz OTTMGNDQZSHUFT-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663970532 493628294 /nfs/dbraw/zinc/62/82/94/493628294.db2.gz OTTMGNDQZSHUFT-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065194 493628795 /nfs/dbraw/zinc/62/87/95/493628795.db2.gz JDOKLTXWJMUCOR-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065194 493628798 /nfs/dbraw/zinc/62/87/98/493628798.db2.gz JDOKLTXWJMUCOR-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000664007641 493629840 /nfs/dbraw/zinc/62/98/40/493629840.db2.gz RXEYJIAZMPANLO-ZMSDIMECSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000664007641 493629843 /nfs/dbraw/zinc/62/98/43/493629843.db2.gz RXEYJIAZMPANLO-ZMSDIMECSA-N 2 2 354.495 0.336 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671102573 493633301 /nfs/dbraw/zinc/63/33/01/493633301.db2.gz ZLDHMDZTQZUJAG-GOEBONIOSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671102573 493633303 /nfs/dbraw/zinc/63/33/03/493633303.db2.gz ZLDHMDZTQZUJAG-GOEBONIOSA-N 2 2 359.474 0.621 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1c(F)cccc1F ZINC000664135109 493638858 /nfs/dbraw/zinc/63/88/58/493638858.db2.gz YXWINMYRYPINPM-ILXRZTDVSA-N 2 2 356.417 0.884 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000671122654 493639071 /nfs/dbraw/zinc/63/90/71/493639071.db2.gz HAWKAZFREHVCNR-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000671122654 493639075 /nfs/dbraw/zinc/63/90/75/493639075.db2.gz HAWKAZFREHVCNR-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671122654 493639077 /nfs/dbraw/zinc/63/90/77/493639077.db2.gz HAWKAZFREHVCNR-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671122654 493639079 /nfs/dbraw/zinc/63/90/79/493639079.db2.gz HAWKAZFREHVCNR-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671179883 493647160 /nfs/dbraw/zinc/64/71/60/493647160.db2.gz HXBWIDSKVQKUOM-BBWFWOEESA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671179883 493647161 /nfs/dbraw/zinc/64/71/61/493647161.db2.gz HXBWIDSKVQKUOM-BBWFWOEESA-N 2 2 364.490 0.053 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000664303256 493651503 /nfs/dbraw/zinc/65/15/03/493651503.db2.gz MXICFYUHHNEXNI-SFHVURJKSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671365592 493660850 /nfs/dbraw/zinc/66/08/50/493660850.db2.gz AMEFNEKZNSCOLY-JKSUJKDBSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671365592 493660851 /nfs/dbraw/zinc/66/08/51/493660851.db2.gz AMEFNEKZNSCOLY-JKSUJKDBSA-N 3 2 367.538 0.118 20 0 FCADLP C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[C@H]1C[N@H+](C)CCO1 ZINC000664489791 493662983 /nfs/dbraw/zinc/66/29/83/493662983.db2.gz YXSRNUUBUCZJOI-BFHYXJOUSA-N 2 2 353.467 0.498 20 0 FCADLP C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[C@H]1C[N@@H+](C)CCO1 ZINC000664489791 493662985 /nfs/dbraw/zinc/66/29/85/493662985.db2.gz YXSRNUUBUCZJOI-BFHYXJOUSA-N 2 2 353.467 0.498 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)n1C ZINC000671395506 493664640 /nfs/dbraw/zinc/66/46/40/493664640.db2.gz XEHUSTVPKKKHRK-UHFFFAOYSA-N 2 2 370.457 0.234 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)c[nH+]1 ZINC000679499768 493683372 /nfs/dbraw/zinc/68/33/72/493683372.db2.gz GXXYNLKGKPMVRJ-UHFFFAOYSA-N 2 2 365.397 0.983 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000664852797 493686735 /nfs/dbraw/zinc/68/67/35/493686735.db2.gz BXLNBISPEJIZLD-UHFFFAOYSA-N 2 2 350.467 0.381 20 0 FCADLP COc1cccc(OC)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000671715654 493703783 /nfs/dbraw/zinc/70/37/83/493703783.db2.gz QTSUMYLTUBDNBH-HNNXBMFYSA-N 2 2 363.458 0.727 20 0 FCADLP C[C@@H](CCNC(=O)N(CCO)CC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000680312969 493713779 /nfs/dbraw/zinc/71/37/79/493713779.db2.gz JFDFTCGEMMAKKN-KRWDZBQOSA-N 2 2 356.511 0.587 20 0 FCADLP COCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671915087 493713904 /nfs/dbraw/zinc/71/39/04/493713904.db2.gz UAYGLDRCWYQQRS-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP COCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671915087 493713906 /nfs/dbraw/zinc/71/39/06/493713906.db2.gz UAYGLDRCWYQQRS-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000671960951 493718356 /nfs/dbraw/zinc/71/83/56/493718356.db2.gz GMXXJFCJJKAWAF-CVEARBPZSA-N 2 2 363.462 0.131 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671968702 493720066 /nfs/dbraw/zinc/72/00/66/493720066.db2.gz GVKDWVKWOGHAKN-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671968702 493720067 /nfs/dbraw/zinc/72/00/67/493720067.db2.gz GVKDWVKWOGHAKN-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000672007265 493723725 /nfs/dbraw/zinc/72/37/25/493723725.db2.gz GAZYKCOGJLNYMK-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000680937316 493737569 /nfs/dbraw/zinc/73/75/69/493737569.db2.gz JUJKPAAKERQSNP-MRXNPFEDSA-N 2 2 368.503 0.949 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000680937316 493737571 /nfs/dbraw/zinc/73/75/71/493737571.db2.gz JUJKPAAKERQSNP-MRXNPFEDSA-N 2 2 368.503 0.949 20 0 FCADLP CN(C)C(=O)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211498 493750813 /nfs/dbraw/zinc/75/08/13/493750813.db2.gz KPBFETUSKJOXKZ-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CN(C)C(=O)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211498 493750814 /nfs/dbraw/zinc/75/08/14/493750814.db2.gz KPBFETUSKJOXKZ-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000681217858 493750893 /nfs/dbraw/zinc/75/08/93/493750893.db2.gz IEIPSGYFGRRPHW-NVXWUHKLSA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000681217858 493750894 /nfs/dbraw/zinc/75/08/94/493750894.db2.gz IEIPSGYFGRRPHW-NVXWUHKLSA-N 2 2 365.522 0.806 20 0 FCADLP CN(C(=O)NCCCC(=O)NC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681210905 493750972 /nfs/dbraw/zinc/75/09/72/493750972.db2.gz DPGPTOIUSIGYMK-QGZVFWFLSA-N 2 2 365.522 0.855 20 0 FCADLP CN(C(=O)NCCCC(=O)NC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681210905 493750973 /nfs/dbraw/zinc/75/09/73/493750973.db2.gz DPGPTOIUSIGYMK-QGZVFWFLSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000681216638 493751134 /nfs/dbraw/zinc/75/11/34/493751134.db2.gz IFQNZCVTBIXCDD-RYQLBKOJSA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000681216638 493751136 /nfs/dbraw/zinc/75/11/36/493751136.db2.gz IFQNZCVTBIXCDD-RYQLBKOJSA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000681216638 493751138 /nfs/dbraw/zinc/75/11/38/493751138.db2.gz IFQNZCVTBIXCDD-RYQLBKOJSA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000681216638 493751141 /nfs/dbraw/zinc/75/11/41/493751141.db2.gz IFQNZCVTBIXCDD-RYQLBKOJSA-N 3 2 367.538 0.515 20 0 FCADLP CN(C(=O)NCc1nnnn1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219546 493752115 /nfs/dbraw/zinc/75/21/15/493752115.db2.gz YQTBAUSFYXIUQG-OAHLLOKOSA-N 2 2 362.482 0.318 20 0 FCADLP CN(C(=O)NCc1nnnn1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219546 493752117 /nfs/dbraw/zinc/75/21/17/493752117.db2.gz YQTBAUSFYXIUQG-OAHLLOKOSA-N 2 2 362.482 0.318 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218791 493752251 /nfs/dbraw/zinc/75/22/51/493752251.db2.gz NENMGNDTUGAJNE-OKZBNKHCSA-N 2 2 368.522 0.990 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218791 493752254 /nfs/dbraw/zinc/75/22/54/493752254.db2.gz NENMGNDTUGAJNE-OKZBNKHCSA-N 2 2 368.522 0.990 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672307002 493752474 /nfs/dbraw/zinc/75/24/74/493752474.db2.gz IMRNDLHZYKZRHX-AEFFLSMTSA-N 2 2 356.470 0.890 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672307002 493752477 /nfs/dbraw/zinc/75/24/77/493752477.db2.gz IMRNDLHZYKZRHX-AEFFLSMTSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672307002 493752479 /nfs/dbraw/zinc/75/24/79/493752479.db2.gz IMRNDLHZYKZRHX-AEFFLSMTSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672307002 493752481 /nfs/dbraw/zinc/75/24/81/493752481.db2.gz IMRNDLHZYKZRHX-AEFFLSMTSA-N 2 2 356.470 0.890 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@@H]1O ZINC000186863792 533907555 /nfs/dbraw/zinc/90/75/55/533907555.db2.gz WNVQIYGFBIHCPW-LPHOPBHVSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@@H]1O ZINC000186863792 533907567 /nfs/dbraw/zinc/90/75/67/533907567.db2.gz WNVQIYGFBIHCPW-LPHOPBHVSA-N 2 2 373.497 0.968 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)c2cc1C ZINC000409448920 534139362 /nfs/dbraw/zinc/13/93/62/534139362.db2.gz RHLYTPFFCKOCRH-UONOGXRCSA-N 2 2 352.460 0.377 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](S(N)(=O)=O)C3)c2cc1C ZINC000409448920 534139369 /nfs/dbraw/zinc/13/93/69/534139369.db2.gz RHLYTPFFCKOCRH-UONOGXRCSA-N 2 2 352.460 0.377 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000410444398 534283872 /nfs/dbraw/zinc/28/38/72/534283872.db2.gz HXQOBWCWBQMLKX-ZNMIVQPWSA-N 2 2 363.462 0.377 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000410444398 534283874 /nfs/dbraw/zinc/28/38/74/534283874.db2.gz HXQOBWCWBQMLKX-ZNMIVQPWSA-N 2 2 363.462 0.377 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419926359 536448991 /nfs/dbraw/zinc/44/89/91/536448991.db2.gz BELQOCARMXVWKW-CABCVRRESA-N 2 2 361.490 0.897 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000410737387 527957042 /nfs/dbraw/zinc/95/70/42/527957042.db2.gz SKUZVVGIYURFEY-SJORKVTESA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000410737387 527957045 /nfs/dbraw/zinc/95/70/45/527957045.db2.gz SKUZVVGIYURFEY-SJORKVTESA-N 2 2 368.522 0.354 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700086 527960341 /nfs/dbraw/zinc/96/03/41/527960341.db2.gz JDTBOVOZOCCFHY-LUKYLMHMSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700086 527960346 /nfs/dbraw/zinc/96/03/46/527960346.db2.gz JDTBOVOZOCCFHY-LUKYLMHMSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700086 527960355 /nfs/dbraw/zinc/96/03/55/527960355.db2.gz JDTBOVOZOCCFHY-LUKYLMHMSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700086 527960358 /nfs/dbraw/zinc/96/03/58/527960358.db2.gz JDTBOVOZOCCFHY-LUKYLMHMSA-N 2 2 368.522 0.495 20 0 FCADLP CCO[C@H]1C[C@](CO)(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000189563181 528153415 /nfs/dbraw/zinc/15/34/15/528153415.db2.gz DHIWLOYSQLURKP-QFBILLFUSA-N 2 2 370.538 0.878 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)CC1 ZINC000408132531 528977616 /nfs/dbraw/zinc/97/76/16/528977616.db2.gz LDYQMSAMTYQHEI-UHFFFAOYSA-N 2 2 353.511 0.665 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)CC1 ZINC000408132531 528977619 /nfs/dbraw/zinc/97/76/19/528977619.db2.gz LDYQMSAMTYQHEI-UHFFFAOYSA-N 2 2 353.511 0.665 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000263238699 529037843 /nfs/dbraw/zinc/03/78/43/529037843.db2.gz KIWPRZXUYRNRHL-GUYCJALGSA-N 2 2 363.462 0.022 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410677150 529120383 /nfs/dbraw/zinc/12/03/83/529120383.db2.gz QSIFXIIRHBDZAN-KKUMJFAQSA-N 2 2 362.478 0.023 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@@H+]1CCOC ZINC000410527786 529353139 /nfs/dbraw/zinc/35/31/39/529353139.db2.gz KQUJZSKDNQVLCS-IAGOWNOFSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@H+]1CCOC ZINC000410527786 529353140 /nfs/dbraw/zinc/35/31/40/529353140.db2.gz KQUJZSKDNQVLCS-IAGOWNOFSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527786 529353142 /nfs/dbraw/zinc/35/31/42/529353142.db2.gz KQUJZSKDNQVLCS-IAGOWNOFSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527786 529353144 /nfs/dbraw/zinc/35/31/44/529353144.db2.gz KQUJZSKDNQVLCS-IAGOWNOFSA-N 2 2 368.522 0.354 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[NH2+]C1 ZINC000423667576 535187442 /nfs/dbraw/zinc/18/74/42/535187442.db2.gz ULVWJFFTSWYQGX-GJZGRUSLSA-N 2 2 362.478 0.215 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423998123 535273791 /nfs/dbraw/zinc/27/37/91/535273791.db2.gz AMUYYBPYPKJMCB-HOTGVXAUSA-N 2 2 350.467 0.401 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423998123 535273793 /nfs/dbraw/zinc/27/37/93/535273793.db2.gz AMUYYBPYPKJMCB-HOTGVXAUSA-N 2 2 350.467 0.401 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423545997 535605177 /nfs/dbraw/zinc/60/51/77/535605177.db2.gz BJSCXBARQQEMAT-XUWVNRHRSA-N 2 2 374.489 0.201 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4[nH]c(=O)[nH]c4n3)CC2)CC1 ZINC000419863016 536339941 /nfs/dbraw/zinc/33/99/41/536339941.db2.gz DLBNKRDFFQMROQ-UHFFFAOYSA-N 2 2 358.446 0.952 20 0 FCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000423863399 536443847 /nfs/dbraw/zinc/44/38/47/536443847.db2.gz HZAOJEVVGUXAQA-SJORKVTESA-N 2 2 361.490 0.990 20 0 FCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000423863399 536443849 /nfs/dbraw/zinc/44/38/49/536443849.db2.gz HZAOJEVVGUXAQA-SJORKVTESA-N 2 2 361.490 0.990 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000423900567 536453578 /nfs/dbraw/zinc/45/35/78/536453578.db2.gz ROTSWYPSGIVBHE-HUUCEWRRSA-N 2 2 363.462 0.517 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000423900567 536453581 /nfs/dbraw/zinc/45/35/81/536453581.db2.gz ROTSWYPSGIVBHE-HUUCEWRRSA-N 2 2 363.462 0.517 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1OCC(=O)N1CCOCC1 ZINC000414872674 536806977 /nfs/dbraw/zinc/80/69/77/536806977.db2.gz WPXNWILPEPFTNW-MRXNPFEDSA-N 2 2 363.458 0.774 20 0 FCADLP O=C(C[NH+]1CCC(O)(CO)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000661616793 546591400 /nfs/dbraw/zinc/59/14/00/546591400.db2.gz XVTKZIMQETUBRY-UHFFFAOYSA-N 2 2 353.488 0.212 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015218 546771334 /nfs/dbraw/zinc/77/13/34/546771334.db2.gz XXGZCWPLDKPBGW-KURKYZTESA-N 2 2 350.459 0.814 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015218 546771338 /nfs/dbraw/zinc/77/13/38/546771338.db2.gz XXGZCWPLDKPBGW-KURKYZTESA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015218 546771341 /nfs/dbraw/zinc/77/13/41/546771341.db2.gz XXGZCWPLDKPBGW-KURKYZTESA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015218 546771346 /nfs/dbraw/zinc/77/13/46/546771346.db2.gz XXGZCWPLDKPBGW-KURKYZTESA-N 2 2 350.459 0.814 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000332830297 546857141 /nfs/dbraw/zinc/85/71/41/546857141.db2.gz QMCNLWCOCWQUKX-XHSDSOJGSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000332830297 546857148 /nfs/dbraw/zinc/85/71/48/546857148.db2.gz QMCNLWCOCWQUKX-XHSDSOJGSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H](C)O1 ZINC000332830297 546857152 /nfs/dbraw/zinc/85/71/52/546857152.db2.gz QMCNLWCOCWQUKX-XHSDSOJGSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000332830297 546857158 /nfs/dbraw/zinc/85/71/58/546857158.db2.gz QMCNLWCOCWQUKX-XHSDSOJGSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C[C@H](C)O1 ZINC000332830297 546857161 /nfs/dbraw/zinc/85/71/61/546857161.db2.gz QMCNLWCOCWQUKX-XHSDSOJGSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C[C@H](C)O1 ZINC000332830297 546857165 /nfs/dbraw/zinc/85/71/65/546857165.db2.gz QMCNLWCOCWQUKX-XHSDSOJGSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C[C@H](C)O1 ZINC000332830297 546857175 /nfs/dbraw/zinc/85/71/75/546857175.db2.gz QMCNLWCOCWQUKX-XHSDSOJGSA-N 2 2 355.527 0.419 20 0 FCADLP COC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641788365 546956982 /nfs/dbraw/zinc/95/69/82/546956982.db2.gz ZFIDZDJABNZJGI-MOPGFXCFSA-N 2 2 355.523 0.814 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000550493651 547088401 /nfs/dbraw/zinc/08/84/01/547088401.db2.gz FRQZFUSYEUANKA-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000550493651 547088403 /nfs/dbraw/zinc/08/84/03/547088403.db2.gz FRQZFUSYEUANKA-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000550687460 547097898 /nfs/dbraw/zinc/09/78/98/547097898.db2.gz YITNEUCQTTWKQE-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000552176165 547192991 /nfs/dbraw/zinc/19/29/91/547192991.db2.gz ZJMQMUXPZOKGJE-OAHLLOKOSA-N 2 2 362.499 0.745 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000552176165 547192996 /nfs/dbraw/zinc/19/29/96/547192996.db2.gz ZJMQMUXPZOKGJE-OAHLLOKOSA-N 2 2 362.499 0.745 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552339353 547201066 /nfs/dbraw/zinc/20/10/66/547201066.db2.gz LCHIAOZJMRZPHX-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552339353 547201070 /nfs/dbraw/zinc/20/10/70/547201070.db2.gz LCHIAOZJMRZPHX-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000552458871 547211262 /nfs/dbraw/zinc/21/12/62/547211262.db2.gz SBCZDUKSWYEXJB-INIZCTEOSA-N 2 2 355.479 0.490 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000552458871 547211267 /nfs/dbraw/zinc/21/12/67/547211267.db2.gz SBCZDUKSWYEXJB-INIZCTEOSA-N 2 2 355.479 0.490 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553096030 547253310 /nfs/dbraw/zinc/25/33/10/547253310.db2.gz VUCGWASYIWHACD-INIZCTEOSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553096030 547253313 /nfs/dbraw/zinc/25/33/13/547253313.db2.gz VUCGWASYIWHACD-INIZCTEOSA-N 2 2 356.511 0.402 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000553278792 547266012 /nfs/dbraw/zinc/26/60/12/547266012.db2.gz DTNMWQGKSAVWBZ-JONQDZQNSA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000553278792 547266014 /nfs/dbraw/zinc/26/60/14/547266014.db2.gz DTNMWQGKSAVWBZ-JONQDZQNSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000553618542 547294440 /nfs/dbraw/zinc/29/44/40/547294440.db2.gz UFLCTSCTBSQGKV-UGUYLWEFSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000553618542 547294446 /nfs/dbraw/zinc/29/44/46/547294446.db2.gz UFLCTSCTBSQGKV-UGUYLWEFSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553619652 547295081 /nfs/dbraw/zinc/29/50/81/547295081.db2.gz ZBAPBCJRJPMGMX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP NC(=O)[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729876 599289820 /nfs/dbraw/zinc/28/98/20/599289820.db2.gz FAHOIGNNZAJYBN-KBPBESRZSA-N 2 2 352.402 0.757 20 0 FCADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570252 598509933 /nfs/dbraw/zinc/50/99/33/598509933.db2.gz XCZRGKLWYVVONV-SFHVURJKSA-N 2 2 371.489 0.705 20 0 FCADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570252 598509935 /nfs/dbraw/zinc/50/99/35/598509935.db2.gz XCZRGKLWYVVONV-SFHVURJKSA-N 2 2 371.489 0.705 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCCC[C@H]1C ZINC000736266057 598521223 /nfs/dbraw/zinc/52/12/23/598521223.db2.gz FGBOLGVEVHRBJG-HZSPNIEDSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCCC[C@H]1C ZINC000736266057 598521224 /nfs/dbraw/zinc/52/12/24/598521224.db2.gz FGBOLGVEVHRBJG-HZSPNIEDSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736266913 598523148 /nfs/dbraw/zinc/52/31/48/598523148.db2.gz QATXCTXTCSHDFQ-HZSPNIEDSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000736266913 598523149 /nfs/dbraw/zinc/52/31/49/598523149.db2.gz QATXCTXTCSHDFQ-HZSPNIEDSA-N 2 2 359.482 0.815 20 0 FCADLP OC1CC[NH+](CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000738389782 599487175 /nfs/dbraw/zinc/48/71/75/599487175.db2.gz MYDAWZHULUUBGY-UHFFFAOYSA-N 2 2 356.434 0.451 20 0 FCADLP O[C@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[NH+]1CCCCC1 ZINC000738385104 599487278 /nfs/dbraw/zinc/48/72/78/599487278.db2.gz VAIKHBYEPGVAGW-OAHLLOKOSA-N 2 2 356.434 0.451 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)CCCn2cc[nH+]c2C)c1-c1nn[nH]n1 ZINC000826077406 608022228 /nfs/dbraw/zinc/02/22/28/608022228.db2.gz HGJYMAUXDJYWQL-UHFFFAOYSA-N 2 2 372.437 0.666 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C[C@H]4CCCO4)C3=O)C2)CC1 ZINC000924633266 665856652 /nfs/dbraw/zinc/85/66/52/665856652.db2.gz HPSINDRJKYTVBY-ARFHVFGLSA-N 2 2 350.463 0.644 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C[C@H]4CCCO4)C3=O)C2)CC1 ZINC000924633266 665856654 /nfs/dbraw/zinc/85/66/54/665856654.db2.gz HPSINDRJKYTVBY-ARFHVFGLSA-N 2 2 350.463 0.644 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000899062489 665927395 /nfs/dbraw/zinc/92/73/95/665927395.db2.gz YMNWVORSXGBTBV-INIZCTEOSA-N 2 2 369.531 0.769 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000899062489 665927396 /nfs/dbraw/zinc/92/73/96/665927396.db2.gz YMNWVORSXGBTBV-INIZCTEOSA-N 2 2 369.531 0.769 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000969428587 663170101 /nfs/dbraw/zinc/17/01/01/663170101.db2.gz BWNVZVPWNPWHPI-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[NH+](CCCF)C1 ZINC000970198502 663247532 /nfs/dbraw/zinc/24/75/32/663247532.db2.gz LPJDIXMWZLNIGD-OIISXLGYSA-N 2 2 357.470 0.662 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000077552774 663379843 /nfs/dbraw/zinc/37/98/43/663379843.db2.gz ZOQBJKJDCOGKGX-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP Nc1cc[nH+]c(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000891412423 663385636 /nfs/dbraw/zinc/38/56/36/663385636.db2.gz YATXKWXUIFXJQR-MRXNPFEDSA-N 2 2 351.476 0.671 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891512626 663410998 /nfs/dbraw/zinc/41/09/98/663410998.db2.gz RWRHDVSIEKUVKI-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891512626 663411001 /nfs/dbraw/zinc/41/10/01/663411001.db2.gz RWRHDVSIEKUVKI-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891528259 663412302 /nfs/dbraw/zinc/41/23/02/663412302.db2.gz NYQZJLBBBDWTBC-JHJVBQTASA-N 2 2 351.417 0.401 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891536107 663412510 /nfs/dbraw/zinc/41/25/10/663412510.db2.gz CYBFKKUIGPUKBC-GDBMZVCRSA-N 2 2 358.508 0.079 20 0 FCADLP CCn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971780545 663428227 /nfs/dbraw/zinc/42/82/27/663428227.db2.gz DNSDZDSNAKIHOD-IIAWOOMASA-N 2 2 350.467 0.050 20 0 FCADLP CCn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971780545 663428228 /nfs/dbraw/zinc/42/82/28/663428228.db2.gz DNSDZDSNAKIHOD-IIAWOOMASA-N 2 2 350.467 0.050 20 0 FCADLP CCn1nncc1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971780545 663428230 /nfs/dbraw/zinc/42/82/30/663428230.db2.gz DNSDZDSNAKIHOD-IIAWOOMASA-N 2 2 350.467 0.050 20 0 FCADLP CCn1nncc1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971780545 663428231 /nfs/dbraw/zinc/42/82/31/663428231.db2.gz DNSDZDSNAKIHOD-IIAWOOMASA-N 2 2 350.467 0.050 20 0 FCADLP O=C(CC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1)N1CC[NH2+]CC1 ZINC000262034103 663474014 /nfs/dbraw/zinc/47/40/14/663474014.db2.gz HBLPKFMWQCNVQS-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP O=C(CC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1)N1CC[NH2+]CC1 ZINC000262034103 663474017 /nfs/dbraw/zinc/47/40/17/663474017.db2.gz HBLPKFMWQCNVQS-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP Cc1nonc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024998582 664034097 /nfs/dbraw/zinc/03/40/97/664034097.db2.gz FSLUKAJIYGOZJO-XNRPHZJLSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024998582 664034099 /nfs/dbraw/zinc/03/40/99/664034099.db2.gz FSLUKAJIYGOZJO-XNRPHZJLSA-N 2 2 351.451 0.568 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766776 664140070 /nfs/dbraw/zinc/14/00/70/664140070.db2.gz OFDXYGMQTHJBSG-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H]3C3OCCO3)C2)CC1 ZINC000893025104 664200024 /nfs/dbraw/zinc/20/00/24/664200024.db2.gz XZWLUQHVAMJUCJ-GDBMZVCRSA-N 2 2 352.479 0.702 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H]3C3OCCO3)C2)CC1 ZINC000893025104 664200026 /nfs/dbraw/zinc/20/00/26/664200026.db2.gz XZWLUQHVAMJUCJ-GDBMZVCRSA-N 2 2 352.479 0.702 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)CC[NH+]2CCOCC2)c2cccs2)CC1 ZINC000725878883 664201700 /nfs/dbraw/zinc/20/17/00/664201700.db2.gz ZJHROEIOYKQPBX-MRXNPFEDSA-N 2 2 366.531 0.875 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981194475 664817323 /nfs/dbraw/zinc/81/73/23/664817323.db2.gz ROQBVQFFJMWAKK-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981194475 664817324 /nfs/dbraw/zinc/81/73/24/664817324.db2.gz ROQBVQFFJMWAKK-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194475 664817326 /nfs/dbraw/zinc/81/73/26/664817326.db2.gz ROQBVQFFJMWAKK-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194475 664817328 /nfs/dbraw/zinc/81/73/28/664817328.db2.gz ROQBVQFFJMWAKK-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP COc1nscc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629091 664930851 /nfs/dbraw/zinc/93/08/51/664930851.db2.gz GIHJLXGDJKEEGB-VNHYZAJKSA-N 2 2 368.503 0.809 20 0 FCADLP COc1nscc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629091 664930853 /nfs/dbraw/zinc/93/08/53/664930853.db2.gz GIHJLXGDJKEEGB-VNHYZAJKSA-N 2 2 368.503 0.809 20 0 FCADLP COc1nscc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629091 664930855 /nfs/dbraw/zinc/93/08/55/664930855.db2.gz GIHJLXGDJKEEGB-VNHYZAJKSA-N 2 2 368.503 0.809 20 0 FCADLP COc1nscc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629091 664930856 /nfs/dbraw/zinc/93/08/56/664930856.db2.gz GIHJLXGDJKEEGB-VNHYZAJKSA-N 2 2 368.503 0.809 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001028629700 664930881 /nfs/dbraw/zinc/93/08/81/664930881.db2.gz QQVOXUWFNVPAOI-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001028629700 664930883 /nfs/dbraw/zinc/93/08/83/664930883.db2.gz QQVOXUWFNVPAOI-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)O1 ZINC001028629700 664930884 /nfs/dbraw/zinc/93/08/84/664930884.db2.gz QQVOXUWFNVPAOI-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)O1 ZINC001028629700 664930885 /nfs/dbraw/zinc/93/08/85/664930885.db2.gz QQVOXUWFNVPAOI-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323566 665038011 /nfs/dbraw/zinc/03/80/11/665038011.db2.gz DMMUZZLOEQGTSH-PKOBYXMFSA-N 2 2 350.459 0.715 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323566 665038012 /nfs/dbraw/zinc/03/80/12/665038012.db2.gz DMMUZZLOEQGTSH-PKOBYXMFSA-N 2 2 350.459 0.715 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562083 665094658 /nfs/dbraw/zinc/09/46/58/665094658.db2.gz DRTFELVVGCAJKR-KBAYOESNSA-N 2 2 354.539 0.874 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562083 665094660 /nfs/dbraw/zinc/09/46/60/665094660.db2.gz DRTFELVVGCAJKR-KBAYOESNSA-N 2 2 354.539 0.874 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896634254 665101630 /nfs/dbraw/zinc/10/16/30/665101630.db2.gz WRIUTHYWODKPJH-ZACQAIPSSA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896634254 665101631 /nfs/dbraw/zinc/10/16/31/665101631.db2.gz WRIUTHYWODKPJH-ZACQAIPSSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515668 665298532 /nfs/dbraw/zinc/29/85/32/665298532.db2.gz XYOXWWIXHMCQOB-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515668 665298535 /nfs/dbraw/zinc/29/85/35/665298535.db2.gz XYOXWWIXHMCQOB-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000897515668 665298537 /nfs/dbraw/zinc/29/85/37/665298537.db2.gz XYOXWWIXHMCQOB-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000897515668 665298540 /nfs/dbraw/zinc/29/85/40/665298540.db2.gz XYOXWWIXHMCQOB-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000054518744 665342992 /nfs/dbraw/zinc/34/29/92/665342992.db2.gz TUXXPENQZVPLQP-SFHVURJKSA-N 2 2 350.463 0.709 20 0 FCADLP CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000910574148 666251839 /nfs/dbraw/zinc/25/18/39/666251839.db2.gz AQXUUYHTWLWVQM-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000910574148 666251840 /nfs/dbraw/zinc/25/18/40/666251840.db2.gz AQXUUYHTWLWVQM-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000910862322 666285051 /nfs/dbraw/zinc/28/50/51/666285051.db2.gz FJMLLSKQQCYYID-KRWDZBQOSA-N 2 2 354.539 0.564 20 0 FCADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000910862322 666285052 /nfs/dbraw/zinc/28/50/52/666285052.db2.gz FJMLLSKQQCYYID-KRWDZBQOSA-N 2 2 354.539 0.564 20 0 FCADLP CN(C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000180474091 666490066 /nfs/dbraw/zinc/49/00/66/666490066.db2.gz MOVDCHCXUJJYNB-HNNXBMFYSA-N 2 2 354.495 0.949 20 0 FCADLP CN(C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000180474091 666490067 /nfs/dbraw/zinc/49/00/67/666490067.db2.gz MOVDCHCXUJJYNB-HNNXBMFYSA-N 2 2 354.495 0.949 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069475383 666514524 /nfs/dbraw/zinc/51/45/24/666514524.db2.gz XTYVJTOTEUYBCC-UHFFFAOYSA-N 2 2 360.524 0.231 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000730906929 666800954 /nfs/dbraw/zinc/80/09/54/666800954.db2.gz BRDQUGAQCIAZPN-OAHLLOKOSA-N 2 2 356.511 0.896 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000730906929 666800958 /nfs/dbraw/zinc/80/09/58/666800958.db2.gz BRDQUGAQCIAZPN-OAHLLOKOSA-N 2 2 356.511 0.896 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CCCO)CN1CC[NH+]1CCOCC1 ZINC000925445762 667093620 /nfs/dbraw/zinc/09/36/20/667093620.db2.gz FJFFNNINPYVXPU-SQNIBIBYSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1NC(=O)[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000918914473 667140900 /nfs/dbraw/zinc/14/09/00/667140900.db2.gz TTZMHXUAGBAUEB-AJNGGQMLSA-N 2 2 351.495 0.462 20 0 FCADLP C[C@@H]1NC(=O)[C@H](C)N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000918914473 667140901 /nfs/dbraw/zinc/14/09/01/667140901.db2.gz TTZMHXUAGBAUEB-AJNGGQMLSA-N 2 2 351.495 0.462 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nc(C(F)F)no3)C2)CC1 ZINC000918911765 667141277 /nfs/dbraw/zinc/14/12/77/667141277.db2.gz BESNEMIUXMWOEE-JTQLQIEISA-N 2 2 358.393 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3nc(C(F)F)no3)C2)CC1 ZINC000918911765 667141281 /nfs/dbraw/zinc/14/12/81/667141281.db2.gz BESNEMIUXMWOEE-JTQLQIEISA-N 2 2 358.393 0.975 20 0 FCADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000997856199 667177926 /nfs/dbraw/zinc/17/79/26/667177926.db2.gz RIADJQJBORRUQM-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000997856199 667177928 /nfs/dbraw/zinc/17/79/28/667177928.db2.gz RIADJQJBORRUQM-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999496721 667240826 /nfs/dbraw/zinc/24/08/26/667240826.db2.gz OMHIRTVZRUEFGO-HZSPNIEDSA-N 2 2 351.451 0.432 20 0 FCADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999496721 667240828 /nfs/dbraw/zinc/24/08/28/667240828.db2.gz OMHIRTVZRUEFGO-HZSPNIEDSA-N 2 2 351.451 0.432 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031682362 667263726 /nfs/dbraw/zinc/26/37/26/667263726.db2.gz GEDIBUVOXBLWHZ-IJEWVQPXSA-N 2 2 357.520 0.199 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031682362 667263730 /nfs/dbraw/zinc/26/37/30/667263730.db2.gz GEDIBUVOXBLWHZ-IJEWVQPXSA-N 2 2 357.520 0.199 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000737043224 667556136 /nfs/dbraw/zinc/55/61/36/667556136.db2.gz GRULAHXCTMQHCX-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000737043224 667556142 /nfs/dbraw/zinc/55/61/42/667556142.db2.gz GRULAHXCTMQHCX-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000737043232 667556187 /nfs/dbraw/zinc/55/61/87/667556187.db2.gz GRULAHXCTMQHCX-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000737043232 667556194 /nfs/dbraw/zinc/55/61/94/667556194.db2.gz GRULAHXCTMQHCX-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP CC(=O)OC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000753638322 667560036 /nfs/dbraw/zinc/56/00/36/667560036.db2.gz UEACUFZFMVHUJF-HNNXBMFYSA-N 2 2 352.479 0.892 20 0 FCADLP CC(=O)OC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000753638322 667560037 /nfs/dbraw/zinc/56/00/37/667560037.db2.gz UEACUFZFMVHUJF-HNNXBMFYSA-N 2 2 352.479 0.892 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000758752502 667782211 /nfs/dbraw/zinc/78/22/11/667782211.db2.gz BRYJADRVNAQWEW-OAHLLOKOSA-N 2 2 374.551 0.669 20 0 FCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000923311787 667824613 /nfs/dbraw/zinc/82/46/13/667824613.db2.gz WTLRGPZLVWPQMJ-SDADXPQNSA-N 2 2 357.451 0.419 20 0 FCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000923311787 667824618 /nfs/dbraw/zinc/82/46/18/667824618.db2.gz WTLRGPZLVWPQMJ-SDADXPQNSA-N 2 2 357.451 0.419 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000759856259 667824770 /nfs/dbraw/zinc/82/47/70/667824770.db2.gz QJZIJVIMMGFEGY-OAHLLOKOSA-N 2 2 353.463 0.708 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000923323071 667825365 /nfs/dbraw/zinc/82/53/65/667825365.db2.gz PUVFKAMOUQSKOC-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000923333296 667826181 /nfs/dbraw/zinc/82/61/81/667826181.db2.gz QGLJFJKTBWKBFF-HZPDHXFCSA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000923333296 667826186 /nfs/dbraw/zinc/82/61/86/667826186.db2.gz QGLJFJKTBWKBFF-HZPDHXFCSA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923333295 667826258 /nfs/dbraw/zinc/82/62/58/667826258.db2.gz QGLJFJKTBWKBFF-HOTGVXAUSA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923333295 667826264 /nfs/dbraw/zinc/82/62/64/667826264.db2.gz QGLJFJKTBWKBFF-HOTGVXAUSA-N 2 2 367.877 0.976 20 0 FCADLP CCc1cnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000961991228 674853226 /nfs/dbraw/zinc/85/32/26/674853226.db2.gz QASFGBBCRKCFOO-UWLZSVRSSA-N 2 2 350.463 0.941 20 0 FCADLP CCc1cnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000961991228 674853228 /nfs/dbraw/zinc/85/32/28/674853228.db2.gz QASFGBBCRKCFOO-UWLZSVRSSA-N 2 2 350.463 0.941 20 0 FCADLP Cc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC000961991847 674853336 /nfs/dbraw/zinc/85/33/36/674853336.db2.gz UOHIVLOZJUHVMJ-JGVXXWTJSA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC000961991847 674853338 /nfs/dbraw/zinc/85/33/38/674853338.db2.gz UOHIVLOZJUHVMJ-JGVXXWTJSA-N 2 2 350.463 0.995 20 0 FCADLP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000761073718 667875466 /nfs/dbraw/zinc/87/54/66/667875466.db2.gz HDRXEKCIWOMZJI-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000761073718 667875469 /nfs/dbraw/zinc/87/54/69/667875469.db2.gz HDRXEKCIWOMZJI-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303861 667886161 /nfs/dbraw/zinc/88/61/61/667886161.db2.gz NTHGLKCVAZIINC-JKSUJKDBSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303861 667886163 /nfs/dbraw/zinc/88/61/63/667886163.db2.gz NTHGLKCVAZIINC-JKSUJKDBSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H]([C@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304919 667886337 /nfs/dbraw/zinc/88/63/37/667886337.db2.gz SAURFENQHUFEAH-CWRNSKLLSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H]([C@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304919 667886340 /nfs/dbraw/zinc/88/63/40/667886340.db2.gz SAURFENQHUFEAH-CWRNSKLLSA-N 2 2 350.463 0.502 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761752712 667894862 /nfs/dbraw/zinc/89/48/62/667894862.db2.gz KGHUQVYEMZUGGO-KRWDZBQOSA-N 2 2 350.463 0.921 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763130296 667944387 /nfs/dbraw/zinc/94/43/87/667944387.db2.gz POEAKVVVBTXOBF-DLBZAZTESA-N 2 2 370.563 0.816 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742608581 668038606 /nfs/dbraw/zinc/03/86/06/668038606.db2.gz FTQZBEZSWZSHJP-OLZOCXBDSA-N 2 2 355.508 0.417 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742608581 668038611 /nfs/dbraw/zinc/03/86/11/668038611.db2.gz FTQZBEZSWZSHJP-OLZOCXBDSA-N 2 2 355.508 0.417 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCC1 ZINC000782572063 668568394 /nfs/dbraw/zinc/56/83/94/668568394.db2.gz IMPQBIWPSXVEMQ-UHFFFAOYSA-N 2 2 360.524 0.279 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000786765914 668775514 /nfs/dbraw/zinc/77/55/14/668775514.db2.gz NRNNPWGASDTYGU-IIAWOOMASA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000786765914 668775516 /nfs/dbraw/zinc/77/55/16/668775516.db2.gz NRNNPWGASDTYGU-IIAWOOMASA-N 2 2 352.479 0.748 20 0 FCADLP CC(=O)NCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365409 668875347 /nfs/dbraw/zinc/87/53/47/668875347.db2.gz CIWSCGWIOZZFJU-SFHVURJKSA-N 2 2 350.463 0.709 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000793001425 668910751 /nfs/dbraw/zinc/91/07/51/668910751.db2.gz PEPSXSBIYXQCSB-UHFFFAOYSA-N 2 2 358.508 0.057 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000793001425 668910753 /nfs/dbraw/zinc/91/07/53/668910753.db2.gz PEPSXSBIYXQCSB-UHFFFAOYSA-N 2 2 358.508 0.057 20 0 FCADLP CON(C)C(=O)CC[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000818981987 668967877 /nfs/dbraw/zinc/96/78/77/668967877.db2.gz BRLSAQOPVUPQLP-UHFFFAOYSA-N 2 2 351.447 0.897 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000820607982 669107890 /nfs/dbraw/zinc/10/78/90/669107890.db2.gz DAHDKKVJTVATRX-AOIWGVFYSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000820607982 669107896 /nfs/dbraw/zinc/10/78/96/669107896.db2.gz DAHDKKVJTVATRX-AOIWGVFYSA-N 2 2 351.491 0.811 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796552273 669108333 /nfs/dbraw/zinc/10/83/33/669108333.db2.gz UZBZBRBCVQJCEV-IKGGRYGDSA-N 2 2 355.479 0.813 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796552273 669108338 /nfs/dbraw/zinc/10/83/38/669108338.db2.gz UZBZBRBCVQJCEV-IKGGRYGDSA-N 2 2 355.479 0.813 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)CC1 ZINC000823114090 669320280 /nfs/dbraw/zinc/32/02/80/669320280.db2.gz ONUAOMAITMKWMW-CQSZACIVSA-N 2 2 350.463 0.058 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)CC1 ZINC000823114090 669320283 /nfs/dbraw/zinc/32/02/83/669320283.db2.gz ONUAOMAITMKWMW-CQSZACIVSA-N 2 2 350.463 0.058 20 0 FCADLP CN(C(=O)C(=O)NCCC1CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807040193 669462114 /nfs/dbraw/zinc/46/21/14/669462114.db2.gz OCHRIQWRPMEZLM-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)C(=O)NCCC1CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807040193 669462116 /nfs/dbraw/zinc/46/21/16/669462116.db2.gz OCHRIQWRPMEZLM-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000829115387 669684371 /nfs/dbraw/zinc/68/43/71/669684371.db2.gz FOGGWUXDXVVLFQ-INIZCTEOSA-N 2 2 353.488 0.702 20 0 FCADLP C[C@@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000829115998 669684489 /nfs/dbraw/zinc/68/44/89/669684489.db2.gz MZALIVBSVOCSNB-LSDHHAIUSA-N 2 2 359.536 0.637 20 0 FCADLP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000817907475 670047730 /nfs/dbraw/zinc/04/77/30/670047730.db2.gz PMHRENFQOWPENR-CJNGLKHVSA-N 2 2 354.472 0.862 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000841804152 670611261 /nfs/dbraw/zinc/61/12/61/670611261.db2.gz NJUYVBJIHVLLQI-INIZCTEOSA-N 2 2 374.551 0.702 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)CC1 ZINC000843347442 670802453 /nfs/dbraw/zinc/80/24/53/670802453.db2.gz WCYHADNBXUMWLI-UHFFFAOYSA-N 2 2 352.479 0.940 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)CC1 ZINC000843347442 670802457 /nfs/dbraw/zinc/80/24/57/670802457.db2.gz WCYHADNBXUMWLI-UHFFFAOYSA-N 2 2 352.479 0.940 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCOCCOC)CC1 ZINC000844595633 670930544 /nfs/dbraw/zinc/93/05/44/670930544.db2.gz CFGKSZFMOHONKX-MRXNPFEDSA-N 2 2 358.552 0.626 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCOCCOC)CC1 ZINC000844595633 670930547 /nfs/dbraw/zinc/93/05/47/670930547.db2.gz CFGKSZFMOHONKX-MRXNPFEDSA-N 2 2 358.552 0.626 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000844905489 670955124 /nfs/dbraw/zinc/95/51/24/670955124.db2.gz LTVLTEJEKGPXNM-QGZVFWFLSA-N 2 2 356.511 0.851 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000845042994 670960503 /nfs/dbraw/zinc/96/05/03/670960503.db2.gz HNBTUVLFQIVJHT-QGZVFWFLSA-N 2 2 356.511 0.851 20 0 FCADLP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877755 671155934 /nfs/dbraw/zinc/15/59/34/671155934.db2.gz OHZUOSZOKQPYRR-KAMYIIQDSA-N 2 2 365.459 0.512 20 0 FCADLP CCS(=O)(=O)NC1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000903007298 675908687 /nfs/dbraw/zinc/90/86/87/675908687.db2.gz YOQGFPYEEZOWTI-UHFFFAOYSA-N 2 2 374.551 0.379 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000852805087 671525916 /nfs/dbraw/zinc/52/59/16/671525916.db2.gz OLKUDPATAOJPAI-QGZVFWFLSA-N 2 2 365.499 0.846 20 0 FCADLP C[NH+](C)C[C@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000854466151 671579779 /nfs/dbraw/zinc/57/97/79/671579779.db2.gz XEIWTTYIQZYMBG-CQSZACIVSA-N 2 2 358.483 0.014 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736769 675965437 /nfs/dbraw/zinc/96/54/37/675965437.db2.gz MIQDYDPVWGQNGQ-KRWDZBQOSA-N 3 2 350.507 0.385 20 0 FCADLP COC[C@](C)(O)CNc1cc(N2C[C@@H](OC)C[C@H]2C[NH+](C)C)nc[nH+]1 ZINC000864704031 672206293 /nfs/dbraw/zinc/20/62/93/672206293.db2.gz JSCABCJCWSPIBB-GRDNDAEWSA-N 2 2 353.467 0.441 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CCO1 ZINC000864786112 672210374 /nfs/dbraw/zinc/21/03/74/672210374.db2.gz NIRKGHNUWURTKV-DZGCQCFKSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CCO1 ZINC000864786112 672210378 /nfs/dbraw/zinc/21/03/78/672210378.db2.gz NIRKGHNUWURTKV-DZGCQCFKSA-N 2 2 350.467 0.561 20 0 FCADLP C[C@H]([C@H](C)NC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC000864790070 672211065 /nfs/dbraw/zinc/21/10/65/672211065.db2.gz XOCYCUHVYWDZNB-KNCOVGOOSA-N 2 2 350.467 0.560 20 0 FCADLP CC(C)[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)N1CC[NH+](C)CC1 ZINC000865410833 672242255 /nfs/dbraw/zinc/24/22/55/672242255.db2.gz JXKNGGZMHJXIDF-ZWKOTPCHSA-N 2 2 350.511 0.819 20 0 FCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CO2 ZINC001053805052 675998274 /nfs/dbraw/zinc/99/82/74/675998274.db2.gz KQBNZHYPZPSPAV-ZACQAIPSSA-N 2 2 351.491 0.713 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000866743900 672295601 /nfs/dbraw/zinc/29/56/01/672295601.db2.gz DZIPEHOEFITIOI-VCPQXCNPSA-N 2 2 351.491 0.759 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000866743901 672295646 /nfs/dbraw/zinc/29/56/46/672295646.db2.gz DZIPEHOEFITIOI-YNDRMARASA-N 2 2 351.491 0.759 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000866743898 672295675 /nfs/dbraw/zinc/29/56/75/672295675.db2.gz DZIPEHOEFITIOI-GPGHGMIHSA-N 2 2 351.491 0.759 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000872145541 672594179 /nfs/dbraw/zinc/59/41/79/672594179.db2.gz SYHGTOVWLHQTCK-MRXNPFEDSA-N 2 2 352.479 0.215 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000877433110 673014022 /nfs/dbraw/zinc/01/40/22/673014022.db2.gz JMXXXORDQZSSGH-AWEZNQCLSA-N 2 2 350.467 0.352 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000877433110 673014029 /nfs/dbraw/zinc/01/40/29/673014029.db2.gz JMXXXORDQZSSGH-AWEZNQCLSA-N 2 2 350.467 0.352 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877521779 673018098 /nfs/dbraw/zinc/01/80/98/673018098.db2.gz DKAIMYXAFDNGHF-GOSISDBHSA-N 2 2 350.511 0.915 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877521779 673018102 /nfs/dbraw/zinc/01/81/02/673018102.db2.gz DKAIMYXAFDNGHF-GOSISDBHSA-N 2 2 350.511 0.915 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878199354 673046650 /nfs/dbraw/zinc/04/66/50/673046650.db2.gz XZERMSWHIVETAJ-SJORKVTESA-N 2 2 353.507 0.671 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878199354 673046654 /nfs/dbraw/zinc/04/66/54/673046654.db2.gz XZERMSWHIVETAJ-SJORKVTESA-N 2 2 353.507 0.671 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879246686 673106693 /nfs/dbraw/zinc/10/66/93/673106693.db2.gz GWFIAXIBBCLBJP-JKSUJKDBSA-N 2 2 371.547 0.828 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccns2)C1 ZINC001051834070 676111749 /nfs/dbraw/zinc/11/17/49/676111749.db2.gz GCHGEZFORLNEJA-BPLDGKMQSA-N 2 2 361.471 0.997 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C/C=C\Cl)CC3)C2)O1 ZINC001052043456 676113560 /nfs/dbraw/zinc/11/35/60/676113560.db2.gz YYGLENHIUZZKBH-WLJOHKDUSA-N 2 2 370.925 0.677 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C/C=C\Cl)CC3)C2)O1 ZINC001052043456 676113563 /nfs/dbraw/zinc/11/35/63/676113563.db2.gz YYGLENHIUZZKBH-WLJOHKDUSA-N 2 2 370.925 0.677 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052491234 676124653 /nfs/dbraw/zinc/12/46/53/676124653.db2.gz ZROYOTIFZLUNCG-XNRPHZJLSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052491234 676124655 /nfs/dbraw/zinc/12/46/55/676124655.db2.gz ZROYOTIFZLUNCG-XNRPHZJLSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491234 676124658 /nfs/dbraw/zinc/12/46/58/676124658.db2.gz ZROYOTIFZLUNCG-XNRPHZJLSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491234 676124662 /nfs/dbraw/zinc/12/46/62/676124662.db2.gz ZROYOTIFZLUNCG-XNRPHZJLSA-N 2 2 351.451 0.568 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052584461 676125524 /nfs/dbraw/zinc/12/55/24/676125524.db2.gz RZCFCQNHMPOSPR-ZACQAIPSSA-N 2 2 357.470 0.806 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052584461 676125525 /nfs/dbraw/zinc/12/55/25/676125525.db2.gz RZCFCQNHMPOSPR-ZACQAIPSSA-N 2 2 357.470 0.806 20 0 FCADLP O=C1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CN1CC1CC1 ZINC000883394373 673373160 /nfs/dbraw/zinc/37/31/60/673373160.db2.gz YYFSNAHNMCEWDP-SFHVURJKSA-N 2 2 350.507 0.384 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424945 673374786 /nfs/dbraw/zinc/37/47/86/673374786.db2.gz HXVDCKHUFPGADW-DLBZAZTESA-N 2 2 351.491 0.858 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424945 673374787 /nfs/dbraw/zinc/37/47/87/673374787.db2.gz HXVDCKHUFPGADW-DLBZAZTESA-N 2 2 351.491 0.858 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884288133 673444298 /nfs/dbraw/zinc/44/42/98/673444298.db2.gz XAAYQVJPRYMYLZ-HNNXBMFYSA-N 2 2 359.467 0.478 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774226 673480889 /nfs/dbraw/zinc/48/08/89/673480889.db2.gz HOMLXDOCRODQFK-LVQVYYBASA-N 2 2 354.495 0.330 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774226 673480891 /nfs/dbraw/zinc/48/08/91/673480891.db2.gz HOMLXDOCRODQFK-LVQVYYBASA-N 2 2 354.495 0.330 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C[C@H]1[NH3+] ZINC000884977655 673495649 /nfs/dbraw/zinc/49/56/49/673495649.db2.gz ZRLHVNXYEFQRCQ-TZMCWYRMSA-N 2 2 363.487 0.057 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428975 673584072 /nfs/dbraw/zinc/58/40/72/673584072.db2.gz PLNPRPBKUSAONV-MAUKXSAKSA-N 2 2 357.495 0.793 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428975 673584076 /nfs/dbraw/zinc/58/40/76/673584076.db2.gz PLNPRPBKUSAONV-MAUKXSAKSA-N 2 2 357.495 0.793 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000929189493 673942714 /nfs/dbraw/zinc/94/27/14/673942714.db2.gz QFOQSGKELIZGHX-ZIAGYGMSSA-N 2 2 350.488 0.822 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000929189493 673942715 /nfs/dbraw/zinc/94/27/15/673942715.db2.gz QFOQSGKELIZGHX-ZIAGYGMSSA-N 2 2 350.488 0.822 20 0 FCADLP CC(C)OCc1noc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000929951236 673987434 /nfs/dbraw/zinc/98/74/34/673987434.db2.gz CINQXFUMBSAPCF-UHFFFAOYSA-N 2 2 353.467 0.884 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000930008602 673992166 /nfs/dbraw/zinc/99/21/66/673992166.db2.gz FSKPODYXDZVKPP-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000930008602 673992169 /nfs/dbraw/zinc/99/21/69/673992169.db2.gz FSKPODYXDZVKPP-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000930008602 673992170 /nfs/dbraw/zinc/99/21/70/673992170.db2.gz FSKPODYXDZVKPP-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000930008602 673992173 /nfs/dbraw/zinc/99/21/73/673992173.db2.gz FSKPODYXDZVKPP-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000969072059 675268456 /nfs/dbraw/zinc/26/84/56/675268456.db2.gz VCGCBXWOSFYMSL-JHJVBQTASA-N 2 2 355.870 0.483 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000969072059 675268458 /nfs/dbraw/zinc/26/84/58/675268458.db2.gz VCGCBXWOSFYMSL-JHJVBQTASA-N 2 2 355.870 0.483 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCc3ccns3)C2)O1 ZINC001007623848 675297172 /nfs/dbraw/zinc/29/71/72/675297172.db2.gz JRIQAWXIZXUERK-IJEWVQPXSA-N 2 2 352.504 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CCc3ccns3)C2)O1 ZINC001007623848 675297176 /nfs/dbraw/zinc/29/71/76/675297176.db2.gz JRIQAWXIZXUERK-IJEWVQPXSA-N 2 2 352.504 0.985 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCc3ccns3)C2)O1 ZINC001007623848 675297178 /nfs/dbraw/zinc/29/71/78/675297178.db2.gz JRIQAWXIZXUERK-IJEWVQPXSA-N 2 2 352.504 0.985 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCc3ccns3)C2)O1 ZINC001007623848 675297181 /nfs/dbraw/zinc/29/71/81/675297181.db2.gz JRIQAWXIZXUERK-IJEWVQPXSA-N 2 2 352.504 0.985 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001008022437 675305627 /nfs/dbraw/zinc/30/56/27/675305627.db2.gz DFLAPVCQIRISQF-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001008022437 675305631 /nfs/dbraw/zinc/30/56/31/675305631.db2.gz DFLAPVCQIRISQF-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014919855 675392873 /nfs/dbraw/zinc/39/28/73/675392873.db2.gz KMAWHRWRZMODPO-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014919855 675392876 /nfs/dbraw/zinc/39/28/76/675392876.db2.gz KMAWHRWRZMODPO-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014919855 675392878 /nfs/dbraw/zinc/39/28/78/675392878.db2.gz KMAWHRWRZMODPO-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014919855 675392879 /nfs/dbraw/zinc/39/28/79/675392879.db2.gz KMAWHRWRZMODPO-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP COCc1nc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001019031353 675419911 /nfs/dbraw/zinc/41/99/11/675419911.db2.gz KKZHUZXSEDLUMJ-VNHYZAJKSA-N 2 2 368.503 0.699 20 0 FCADLP COCc1nc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001019031353 675419913 /nfs/dbraw/zinc/41/99/13/675419913.db2.gz KKZHUZXSEDLUMJ-VNHYZAJKSA-N 2 2 368.503 0.699 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019031190 675420224 /nfs/dbraw/zinc/42/02/24/675420224.db2.gz HEBAVRHZRSLPKO-OSAQELSMSA-N 2 2 369.897 0.792 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019031190 675420225 /nfs/dbraw/zinc/42/02/25/675420225.db2.gz HEBAVRHZRSLPKO-OSAQELSMSA-N 2 2 369.897 0.792 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038267184 675442999 /nfs/dbraw/zinc/44/29/99/675442999.db2.gz YEPHQHDRGFUZIY-QLFBSQMISA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038267184 675443002 /nfs/dbraw/zinc/44/30/02/675443002.db2.gz YEPHQHDRGFUZIY-QLFBSQMISA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038267184 675443005 /nfs/dbraw/zinc/44/30/05/675443005.db2.gz YEPHQHDRGFUZIY-QLFBSQMISA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038267184 675443007 /nfs/dbraw/zinc/44/30/07/675443007.db2.gz YEPHQHDRGFUZIY-QLFBSQMISA-N 2 2 352.504 0.749 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001038398899 675444143 /nfs/dbraw/zinc/44/41/43/675444143.db2.gz JCHZYRMVJIIZEH-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001038398899 675444146 /nfs/dbraw/zinc/44/41/46/675444146.db2.gz JCHZYRMVJIIZEH-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001038398899 675444147 /nfs/dbraw/zinc/44/41/47/675444147.db2.gz JCHZYRMVJIIZEH-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001038398899 675444149 /nfs/dbraw/zinc/44/41/49/675444149.db2.gz JCHZYRMVJIIZEH-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP COCCO[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800849447 675708671 /nfs/dbraw/zinc/70/86/71/675708671.db2.gz ARABNCCSIMLJDX-CQSZACIVSA-N 2 2 354.451 0.088 20 0 FCADLP COCCO[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800849447 675708672 /nfs/dbraw/zinc/70/86/72/675708672.db2.gz ARABNCCSIMLJDX-CQSZACIVSA-N 2 2 354.451 0.088 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000900781945 675715852 /nfs/dbraw/zinc/71/58/52/675715852.db2.gz FYOSYMMYLHMYHJ-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000900781945 675715855 /nfs/dbraw/zinc/71/58/55/675715855.db2.gz FYOSYMMYLHMYHJ-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505504 675721995 /nfs/dbraw/zinc/72/19/95/675721995.db2.gz HYQKLYSPVNHLFL-SOLBZPMBSA-N 2 2 355.479 0.093 20 0 FCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505504 675721999 /nfs/dbraw/zinc/72/19/99/675721999.db2.gz HYQKLYSPVNHLFL-SOLBZPMBSA-N 2 2 355.479 0.093 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N(C)C)CCC2(F)F)CC[N@@H+]1C ZINC001046940930 675766941 /nfs/dbraw/zinc/76/69/41/675766941.db2.gz DWZCLEFPUXUQGI-HZSPNIEDSA-N 2 2 360.449 0.488 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)N(C)C)CCC2(F)F)CC[N@H+]1C ZINC001046940930 675766945 /nfs/dbraw/zinc/76/69/45/675766945.db2.gz DWZCLEFPUXUQGI-HZSPNIEDSA-N 2 2 360.449 0.488 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)N(C)C)CCC2(F)F)CC[NH+]1C ZINC001046940930 675766947 /nfs/dbraw/zinc/76/69/47/675766947.db2.gz DWZCLEFPUXUQGI-HZSPNIEDSA-N 2 2 360.449 0.488 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)N(C)C)CCC2(F)F)CC[NH+]1C ZINC001046940930 675766950 /nfs/dbraw/zinc/76/69/50/675766950.db2.gz DWZCLEFPUXUQGI-HZSPNIEDSA-N 2 2 360.449 0.488 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000901212494 675771607 /nfs/dbraw/zinc/77/16/07/675771607.db2.gz MEVPWAVYVJCEAS-MRXNPFEDSA-N 2 2 359.536 0.828 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000901212494 675771609 /nfs/dbraw/zinc/77/16/09/675771609.db2.gz MEVPWAVYVJCEAS-MRXNPFEDSA-N 2 2 359.536 0.828 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000988536922 1192267400 /nfs/dbraw/zinc/26/74/00/1192267400.db2.gz OLYHEDHRLNPGLA-IKGGRYGDSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000988536922 1192267405 /nfs/dbraw/zinc/26/74/05/1192267405.db2.gz OLYHEDHRLNPGLA-IKGGRYGDSA-N 2 2 361.490 0.967 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001020603954 1168149286 /nfs/dbraw/zinc/14/92/86/1168149286.db2.gz PZLXXDPERDUAKP-KBUPBQIOSA-N 2 2 369.473 0.888 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193345 1168219828 /nfs/dbraw/zinc/21/98/28/1168219828.db2.gz NKDLNZJNHKITGR-OWCLPIDISA-N 2 2 366.506 0.107 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193345 1168219838 /nfs/dbraw/zinc/21/98/38/1168219838.db2.gz NKDLNZJNHKITGR-OWCLPIDISA-N 2 2 366.506 0.107 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193345 1168219845 /nfs/dbraw/zinc/21/98/45/1168219845.db2.gz NKDLNZJNHKITGR-OWCLPIDISA-N 2 2 366.506 0.107 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193345 1168219852 /nfs/dbraw/zinc/21/98/52/1168219852.db2.gz NKDLNZJNHKITGR-OWCLPIDISA-N 2 2 366.506 0.107 20 0 FCADLP CC[NH+]1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)CC1 ZINC001272096021 1192336908 /nfs/dbraw/zinc/33/69/08/1192336908.db2.gz GJMGGTNGSUPJJH-HDICACEKSA-N 2 2 361.490 0.527 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cn(C)nn2)O1 ZINC001021297721 1168962728 /nfs/dbraw/zinc/96/27/28/1168962728.db2.gz UBVZQNRQBXLYJR-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cn(C)nn2)O1 ZINC001021297721 1168962729 /nfs/dbraw/zinc/96/27/29/1168962729.db2.gz UBVZQNRQBXLYJR-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn(C)nn2)O1 ZINC001021297721 1168962731 /nfs/dbraw/zinc/96/27/31/1168962731.db2.gz UBVZQNRQBXLYJR-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn(C)nn2)O1 ZINC001021297721 1168962743 /nfs/dbraw/zinc/96/27/43/1168962743.db2.gz UBVZQNRQBXLYJR-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]21 ZINC001083206758 1169579622 /nfs/dbraw/zinc/57/96/22/1169579622.db2.gz QFXORMLVCIUTEO-ZWKOTPCHSA-N 2 2 356.426 0.943 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]21 ZINC001083206758 1169579630 /nfs/dbraw/zinc/57/96/30/1169579630.db2.gz QFXORMLVCIUTEO-ZWKOTPCHSA-N 2 2 356.426 0.943 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCN(C)C1=O ZINC001266571470 1169581675 /nfs/dbraw/zinc/58/16/75/1169581675.db2.gz VEJVAKVLURPNLX-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCN(C)C1=O ZINC001266571470 1169581695 /nfs/dbraw/zinc/58/16/95/1169581695.db2.gz VEJVAKVLURPNLX-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)cn1 ZINC001083207539 1169773834 /nfs/dbraw/zinc/77/38/34/1169773834.db2.gz BDJOAGZNNAZYGN-DLBZAZTESA-N 2 2 358.446 0.323 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)cn1 ZINC001083207539 1169773844 /nfs/dbraw/zinc/77/38/44/1169773844.db2.gz BDJOAGZNNAZYGN-DLBZAZTESA-N 2 2 358.446 0.323 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC1 ZINC001021636629 1169856588 /nfs/dbraw/zinc/85/65/88/1169856588.db2.gz UDYAGGXLJUJJMW-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104315322 1169905023 /nfs/dbraw/zinc/90/50/23/1169905023.db2.gz OCDVFGOEOPCWQN-KLHDSHLOSA-N 2 2 357.462 0.879 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104315322 1169905027 /nfs/dbraw/zinc/90/50/27/1169905027.db2.gz OCDVFGOEOPCWQN-KLHDSHLOSA-N 2 2 357.462 0.879 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021750664 1169977438 /nfs/dbraw/zinc/97/74/38/1169977438.db2.gz BAZYDQRPXLDWFK-CGTJXYLNSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021750664 1169977443 /nfs/dbraw/zinc/97/74/43/1169977443.db2.gz BAZYDQRPXLDWFK-CGTJXYLNSA-N 2 2 371.485 0.743 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001087141087 1170007896 /nfs/dbraw/zinc/00/78/96/1170007896.db2.gz AZVKYQKSJLTGFZ-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001087141087 1170007902 /nfs/dbraw/zinc/00/79/02/1170007902.db2.gz AZVKYQKSJLTGFZ-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141299 1170008174 /nfs/dbraw/zinc/00/81/74/1170008174.db2.gz ICPBEERXEVPTBZ-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141299 1170008180 /nfs/dbraw/zinc/00/81/80/1170008180.db2.gz ICPBEERXEVPTBZ-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001087141444 1170009468 /nfs/dbraw/zinc/00/94/68/1170009468.db2.gz MKICSZHVWCDABS-YCPHGPKFSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001087141444 1170009472 /nfs/dbraw/zinc/00/94/72/1170009472.db2.gz MKICSZHVWCDABS-YCPHGPKFSA-N 2 2 366.462 0.731 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021779500 1170030552 /nfs/dbraw/zinc/03/05/52/1170030552.db2.gz BDTLDJWZBHBACY-HLLBOEOZSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021779500 1170030556 /nfs/dbraw/zinc/03/05/56/1170030556.db2.gz BDTLDJWZBHBACY-HLLBOEOZSA-N 2 2 371.485 0.743 20 0 FCADLP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345384 1170126579 /nfs/dbraw/zinc/12/65/79/1170126579.db2.gz GCAXIHPWVOHGEW-INMHGKMJSA-N 2 2 365.474 0.714 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022036573 1170451338 /nfs/dbraw/zinc/45/13/38/1170451338.db2.gz OBTUFCVJCJKKGI-GOEBONIOSA-N 2 2 371.441 0.911 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001022212983 1170759740 /nfs/dbraw/zinc/75/97/40/1170759740.db2.gz VXJLULJZZDLSDK-LESCRADOSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C(C)(C)C)[nH]3)C2)O1 ZINC001022277205 1170824958 /nfs/dbraw/zinc/82/49/58/1170824958.db2.gz XYFYPNIQBZJZSN-YIYPIFLZSA-N 2 2 364.494 0.558 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C(C)(C)C)[nH]3)C2)O1 ZINC001022277205 1170824960 /nfs/dbraw/zinc/82/49/60/1170824960.db2.gz XYFYPNIQBZJZSN-YIYPIFLZSA-N 2 2 364.494 0.558 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]21 ZINC001022314857 1170849403 /nfs/dbraw/zinc/84/94/03/1170849403.db2.gz ORXOKNQKHBNLJS-JYYAWHABSA-N 2 2 359.474 0.660 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21 ZINC001022314857 1170849407 /nfs/dbraw/zinc/84/94/07/1170849407.db2.gz ORXOKNQKHBNLJS-JYYAWHABSA-N 2 2 359.474 0.660 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)[N@H+](C)C1 ZINC000328935687 1170862861 /nfs/dbraw/zinc/86/28/61/1170862861.db2.gz JHMDOWDTJJLRHC-ROUUACIJSA-N 2 2 374.485 0.661 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)[N@@H+](C)C1 ZINC000328935687 1170862865 /nfs/dbraw/zinc/86/28/65/1170862865.db2.gz JHMDOWDTJJLRHC-ROUUACIJSA-N 2 2 374.485 0.661 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCOCCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001691236058 1170877327 /nfs/dbraw/zinc/87/73/27/1170877327.db2.gz XZFRZTMZZMGFBE-HRCADAONSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022391521 1170989613 /nfs/dbraw/zinc/98/96/13/1170989613.db2.gz YHWDIRFSZPVPSR-ZMSDIMECSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022391521 1170989622 /nfs/dbraw/zinc/98/96/22/1170989622.db2.gz YHWDIRFSZPVPSR-ZMSDIMECSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104385425 1171064058 /nfs/dbraw/zinc/06/40/58/1171064058.db2.gz VJQILQHSPDBWOS-HUUCEWRRSA-N 2 2 361.494 0.413 20 0 FCADLP Cc1cc(C)c(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c[nH+]1 ZINC000891942616 1171120550 /nfs/dbraw/zinc/12/05/50/1171120550.db2.gz KORVABLASRLMKG-XHSDSOJGSA-N 2 2 359.430 0.775 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001022516242 1171352719 /nfs/dbraw/zinc/35/27/19/1171352719.db2.gz NXSOWRNKYHQVBO-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[N@H+](C)C1 ZINC000329018516 1171453133 /nfs/dbraw/zinc/45/31/33/1171453133.db2.gz LADOTWHYBMFIJU-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[N@@H+](C)C1 ZINC000329018516 1171453146 /nfs/dbraw/zinc/45/31/46/1171453146.db2.gz LADOTWHYBMFIJU-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC001083239221 1171634706 /nfs/dbraw/zinc/63/47/06/1171634706.db2.gz ZGFWPPFIWKEPRL-JCGIZDLHSA-N 2 2 356.426 0.778 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC001083239221 1171634717 /nfs/dbraw/zinc/63/47/17/1171634717.db2.gz ZGFWPPFIWKEPRL-JCGIZDLHSA-N 2 2 356.426 0.778 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001022735659 1171838077 /nfs/dbraw/zinc/83/80/77/1171838077.db2.gz CGGYGUGRAOHLJI-XPABHHOTSA-N 2 2 355.446 0.539 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]21 ZINC000972252959 1171886790 /nfs/dbraw/zinc/88/67/90/1171886790.db2.gz KWIZRWKIZAAMQQ-LZLYRXPVSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000972252209 1171888185 /nfs/dbraw/zinc/88/81/85/1171888185.db2.gz ABQVKAZGFAKSSH-BRWVUGGUSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001104422255 1171951979 /nfs/dbraw/zinc/95/19/79/1171951979.db2.gz INSMINWTKTZBCQ-VHDGCEQUSA-N 2 2 360.466 0.550 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248235 1172003686 /nfs/dbraw/zinc/00/36/86/1172003686.db2.gz XWEJIUFRJRJXEG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248235 1172003692 /nfs/dbraw/zinc/00/36/92/1172003692.db2.gz XWEJIUFRJRJXEG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248235 1172003699 /nfs/dbraw/zinc/00/36/99/1172003699.db2.gz XWEJIUFRJRJXEG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248235 1172003707 /nfs/dbraw/zinc/00/37/07/1172003707.db2.gz XWEJIUFRJRJXEG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000892288736 1172021002 /nfs/dbraw/zinc/02/10/02/1172021002.db2.gz GLBMFMOIBUECPH-QZTJIDSGSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000892288736 1172021011 /nfs/dbraw/zinc/02/10/11/1172021011.db2.gz GLBMFMOIBUECPH-QZTJIDSGSA-N 2 2 362.474 0.483 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022843438 1172051212 /nfs/dbraw/zinc/05/12/12/1172051212.db2.gz KWDRIXFBNUMGDM-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022843438 1172051223 /nfs/dbraw/zinc/05/12/23/1172051223.db2.gz KWDRIXFBNUMGDM-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC001022842321 1172056077 /nfs/dbraw/zinc/05/60/77/1172056077.db2.gz IRKQYIFLPHFERM-GOEBONIOSA-N 2 2 359.474 0.743 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC001022842321 1172056086 /nfs/dbraw/zinc/05/60/86/1172056086.db2.gz IRKQYIFLPHFERM-GOEBONIOSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022846126 1172056282 /nfs/dbraw/zinc/05/62/82/1172056282.db2.gz RBDYGADDTDNOOE-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022846126 1172056290 /nfs/dbraw/zinc/05/62/90/1172056290.db2.gz RBDYGADDTDNOOE-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001087226270 1172077504 /nfs/dbraw/zinc/07/75/04/1172077504.db2.gz MCFFIXCTAMNFOQ-WBVHZDCISA-N 2 2 364.494 0.254 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988840004 1192527387 /nfs/dbraw/zinc/52/73/87/1192527387.db2.gz DDVAVLGBAXNVQP-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988840004 1192527390 /nfs/dbraw/zinc/52/73/90/1192527390.db2.gz DDVAVLGBAXNVQP-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000459989316 1192784013 /nfs/dbraw/zinc/78/40/13/1192784013.db2.gz KJTKCDUPJJJYSZ-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000459989316 1192784017 /nfs/dbraw/zinc/78/40/17/1192784017.db2.gz KJTKCDUPJJJYSZ-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000459987964 1192784069 /nfs/dbraw/zinc/78/40/69/1192784069.db2.gz AIDHQXHMSCMXOW-QGZVFWFLSA-N 2 2 370.538 0.338 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088679561 1192818585 /nfs/dbraw/zinc/81/85/85/1192818585.db2.gz TVFWKVXFSCHIFW-HFTRVMKXSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088679561 1192818588 /nfs/dbraw/zinc/81/85/88/1192818588.db2.gz TVFWKVXFSCHIFW-HFTRVMKXSA-N 2 2 369.469 0.923 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)c2)CC1 ZINC000583612695 1179218511 /nfs/dbraw/zinc/21/85/11/1179218511.db2.gz HSLHLIDKQONLTN-KRWDZBQOSA-N 2 2 373.501 0.570 20 0 FCADLP Cc1ncc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450148 1179751095 /nfs/dbraw/zinc/75/10/95/1179751095.db2.gz FKHPBJSZKQABPA-QGPMSJSTSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450148 1179751110 /nfs/dbraw/zinc/75/11/10/1179751110.db2.gz FKHPBJSZKQABPA-QGPMSJSTSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450148 1179751125 /nfs/dbraw/zinc/75/11/25/1179751125.db2.gz FKHPBJSZKQABPA-QGPMSJSTSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450148 1179751133 /nfs/dbraw/zinc/75/11/33/1179751133.db2.gz FKHPBJSZKQABPA-QGPMSJSTSA-N 2 2 361.490 0.832 20 0 FCADLP CCn1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023452443 1179755798 /nfs/dbraw/zinc/75/57/98/1179755798.db2.gz ZTPAAMNCBAXWEU-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023452443 1179755807 /nfs/dbraw/zinc/75/58/07/1179755807.db2.gz ZTPAAMNCBAXWEU-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023452443 1179755821 /nfs/dbraw/zinc/75/58/21/1179755821.db2.gz ZTPAAMNCBAXWEU-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023452443 1179755835 /nfs/dbraw/zinc/75/58/35/1179755835.db2.gz ZTPAAMNCBAXWEU-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023505589 1179826615 /nfs/dbraw/zinc/82/66/15/1179826615.db2.gz BDODXFNKXFYEIE-KURKYZTESA-N 2 2 369.506 0.077 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023505589 1179826616 /nfs/dbraw/zinc/82/66/16/1179826616.db2.gz BDODXFNKXFYEIE-KURKYZTESA-N 2 2 369.506 0.077 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023505588 1179827089 /nfs/dbraw/zinc/82/70/89/1179827089.db2.gz BDODXFNKXFYEIE-KSZLIROESA-N 2 2 369.506 0.077 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023505588 1179827091 /nfs/dbraw/zinc/82/70/91/1179827091.db2.gz BDODXFNKXFYEIE-KSZLIROESA-N 2 2 369.506 0.077 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001023600629 1179908417 /nfs/dbraw/zinc/90/84/17/1179908417.db2.gz IJHQYDOSIZASJZ-NUEKZKHPSA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001023600629 1179908428 /nfs/dbraw/zinc/90/84/28/1179908428.db2.gz IJHQYDOSIZASJZ-NUEKZKHPSA-N 2 2 359.474 0.630 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001087245990 1179958160 /nfs/dbraw/zinc/95/81/60/1179958160.db2.gz UIONQUQXVKFBGL-KFWWJZLASA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001087245990 1179958166 /nfs/dbraw/zinc/95/81/66/1179958166.db2.gz UIONQUQXVKFBGL-KFWWJZLASA-N 2 2 365.478 0.884 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087246637 1179978078 /nfs/dbraw/zinc/97/80/78/1179978078.db2.gz YGVMTWCDYMHLRH-INMHGKMJSA-N 2 2 365.478 0.755 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972614532 1179983395 /nfs/dbraw/zinc/98/33/95/1179983395.db2.gz JSVUEPPDXJKZRV-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972614532 1179983402 /nfs/dbraw/zinc/98/34/02/1179983402.db2.gz JSVUEPPDXJKZRV-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nccn2C)C1 ZINC001087247982 1180006243 /nfs/dbraw/zinc/00/62/43/1180006243.db2.gz JUEALOLQFOOTHL-IXDOHACOSA-N 2 2 363.506 0.858 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nccn2C)C1 ZINC001087247982 1180006248 /nfs/dbraw/zinc/00/62/48/1180006248.db2.gz JUEALOLQFOOTHL-IXDOHACOSA-N 2 2 363.506 0.858 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000972828907 1180868510 /nfs/dbraw/zinc/86/85/10/1180868510.db2.gz YXXCLNUTSHMITD-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972846578 1180890996 /nfs/dbraw/zinc/89/09/96/1180890996.db2.gz QITOTPYRTPSSNW-BZUAXINKSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972846578 1180891003 /nfs/dbraw/zinc/89/10/03/1180891003.db2.gz QITOTPYRTPSSNW-BZUAXINKSA-N 2 2 359.474 0.886 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001058573649 1180994710 /nfs/dbraw/zinc/99/47/10/1180994710.db2.gz SQTOOUCPDDYAKJ-VNHYZAJKSA-N 2 2 357.462 0.789 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001058573649 1180994719 /nfs/dbraw/zinc/99/47/19/1180994719.db2.gz SQTOOUCPDDYAKJ-VNHYZAJKSA-N 2 2 357.462 0.789 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492028 1181239929 /nfs/dbraw/zinc/23/99/29/1181239929.db2.gz AIJOSSFQEVDFSY-BRWVUGGUSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492028 1181239932 /nfs/dbraw/zinc/23/99/32/1181239932.db2.gz AIJOSSFQEVDFSY-BRWVUGGUSA-N 2 2 371.441 0.349 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)n1 ZINC001083275564 1181852288 /nfs/dbraw/zinc/85/22/88/1181852288.db2.gz KZOMGQLXTRQQGG-JKSUJKDBSA-N 2 2 363.462 0.318 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)n1 ZINC001083275564 1181852291 /nfs/dbraw/zinc/85/22/91/1181852291.db2.gz KZOMGQLXTRQQGG-JKSUJKDBSA-N 2 2 363.462 0.318 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1cc(C)nn1C ZINC001480976158 1181860142 /nfs/dbraw/zinc/86/01/42/1181860142.db2.gz WACHANKJZVOMRZ-HUUCEWRRSA-N 2 2 364.494 0.445 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1cc(C)nn1C ZINC001480976158 1181860145 /nfs/dbraw/zinc/86/01/45/1181860145.db2.gz WACHANKJZVOMRZ-HUUCEWRRSA-N 2 2 364.494 0.445 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1cc(C)nn1C ZINC001480976158 1181860147 /nfs/dbraw/zinc/86/01/47/1181860147.db2.gz WACHANKJZVOMRZ-HUUCEWRRSA-N 2 2 364.494 0.445 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1cc(C)nn1C ZINC001480976158 1181860150 /nfs/dbraw/zinc/86/01/50/1181860150.db2.gz WACHANKJZVOMRZ-HUUCEWRRSA-N 2 2 364.494 0.445 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000973550418 1182381015 /nfs/dbraw/zinc/38/10/15/1182381015.db2.gz KTFZDYLTEXOUPJ-RFBLXINOSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001104729384 1182401669 /nfs/dbraw/zinc/40/16/69/1182401669.db2.gz UVSPVRUOKGWNSN-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001104732540 1182406168 /nfs/dbraw/zinc/40/61/68/1182406168.db2.gz XGXUDFIWNVEZOV-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284107 1182512789 /nfs/dbraw/zinc/51/27/89/1182512789.db2.gz POJDLVPXWLEIKG-ZWKOTPCHSA-N 2 2 361.490 0.708 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCOC34CCOCC4)C2)CC1 ZINC000893022174 1182866127 /nfs/dbraw/zinc/86/61/27/1182866127.db2.gz KKKOIDZVJVKHLV-RDJZCZTQSA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCOC34CCOCC4)C2)CC1 ZINC000893022174 1182866128 /nfs/dbraw/zinc/86/61/28/1182866128.db2.gz KKKOIDZVJVKHLV-RDJZCZTQSA-N 2 2 366.506 0.792 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@@H]21 ZINC001083290811 1182904043 /nfs/dbraw/zinc/90/40/43/1182904043.db2.gz YALIITPUWOFXJV-CEXWTWQISA-N 2 2 370.453 0.398 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@@H]21 ZINC001083290811 1182904054 /nfs/dbraw/zinc/90/40/54/1182904054.db2.gz YALIITPUWOFXJV-CEXWTWQISA-N 2 2 370.453 0.398 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001104836370 1182943114 /nfs/dbraw/zinc/94/31/14/1182943114.db2.gz INPIVYRVEMDRIM-RBSFLKMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104909041 1182992633 /nfs/dbraw/zinc/99/26/33/1182992633.db2.gz UPQBJWXOBZJIJC-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC[N@@H+]1C ZINC000974185058 1183031134 /nfs/dbraw/zinc/03/11/34/1183031134.db2.gz BNPOOJYEJCZQFD-LBKYZSNHSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC[N@H+]1C ZINC000974185058 1183031142 /nfs/dbraw/zinc/03/11/42/1183031142.db2.gz BNPOOJYEJCZQFD-LBKYZSNHSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1 ZINC001105016911 1183069793 /nfs/dbraw/zinc/06/97/93/1183069793.db2.gz GJLMMGIAJVDFNX-BZUAXINKSA-N 2 2 365.478 0.612 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001105097667 1183118375 /nfs/dbraw/zinc/11/83/75/1183118375.db2.gz WUZPBLVIHJYTKM-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101483 1183122185 /nfs/dbraw/zinc/12/21/85/1183122185.db2.gz NTXRFQAMAWWGEN-HUUCEWRRSA-N 2 2 360.466 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001026562696 1183156931 /nfs/dbraw/zinc/15/69/31/1183156931.db2.gz OJWWSTHOBVRBSU-QDIHITRGSA-N 2 2 359.474 0.773 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000974468941 1183227279 /nfs/dbraw/zinc/22/72/79/1183227279.db2.gz OZQZSTDUJQTJSI-HYVNUMGLSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000974468941 1183227282 /nfs/dbraw/zinc/22/72/82/1183227282.db2.gz OZQZSTDUJQTJSI-HYVNUMGLSA-N 2 2 359.474 0.804 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC000974568928 1183337760 /nfs/dbraw/zinc/33/77/60/1183337760.db2.gz RKFYVJRMLQLQLX-ZHALLVOQSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1 ZINC000974587617 1183354793 /nfs/dbraw/zinc/35/47/93/1183354793.db2.gz PJJQIWJLNBXJDX-ZMSDIMECSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1 ZINC000974587617 1183354798 /nfs/dbraw/zinc/35/47/98/1183354798.db2.gz PJJQIWJLNBXJDX-ZMSDIMECSA-N 2 2 359.474 0.364 20 0 FCADLP CCCc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916500 1183490500 /nfs/dbraw/zinc/49/05/00/1183490500.db2.gz INFWLGPUVMKNCD-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916500 1183490502 /nfs/dbraw/zinc/49/05/02/1183490502.db2.gz INFWLGPUVMKNCD-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC000975215167 1183777355 /nfs/dbraw/zinc/77/73/55/1183777355.db2.gz WGSPGJYQNQELLF-YSVLISHTSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC000975215167 1183777360 /nfs/dbraw/zinc/77/73/60/1183777360.db2.gz WGSPGJYQNQELLF-YSVLISHTSA-N 2 2 359.474 0.804 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC000975228795 1183791149 /nfs/dbraw/zinc/79/11/49/1183791149.db2.gz YVXFLSPZXUKAHG-BRWVUGGUSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC000975228795 1183791151 /nfs/dbraw/zinc/79/11/51/1183791151.db2.gz YVXFLSPZXUKAHG-BRWVUGGUSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@@H+]1C ZINC000975422441 1183855762 /nfs/dbraw/zinc/85/57/62/1183855762.db2.gz HNCJKIABQFBZMM-XLNGHYISSA-N 2 2 359.474 0.742 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@H+]1C ZINC000975422441 1183855763 /nfs/dbraw/zinc/85/57/63/1183855763.db2.gz HNCJKIABQFBZMM-XLNGHYISSA-N 2 2 359.474 0.742 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975682721 1184036195 /nfs/dbraw/zinc/03/61/95/1184036195.db2.gz CHDLJHSJSOHNBB-HOTGVXAUSA-N 2 2 370.457 0.997 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000975726468 1185617038 /nfs/dbraw/zinc/61/70/38/1185617038.db2.gz LSANTRJQRIRJEX-SZMVWBNQSA-N 2 2 371.485 0.743 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000975718331 1185637077 /nfs/dbraw/zinc/63/70/77/1185637077.db2.gz YPHXEQYVBYKTTG-RDJZCZTQSA-N 2 2 370.457 0.915 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)CC[N@@H+]1C ZINC000975736128 1185663895 /nfs/dbraw/zinc/66/38/95/1185663895.db2.gz LVEBHWSEYSEJKY-QXSJWSMHSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)CC[N@H+]1C ZINC000975736128 1185663898 /nfs/dbraw/zinc/66/38/98/1185663898.db2.gz LVEBHWSEYSEJKY-QXSJWSMHSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)CC[N@@H+]1C ZINC000975736101 1185664794 /nfs/dbraw/zinc/66/47/94/1185664794.db2.gz KVISGQHMHWCPQG-WTTBNOFXSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)CC[N@H+]1C ZINC000975736101 1185664800 /nfs/dbraw/zinc/66/48/00/1185664800.db2.gz KVISGQHMHWCPQG-WTTBNOFXSA-N 2 2 359.474 0.742 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)CC1 ZINC000975784039 1185777701 /nfs/dbraw/zinc/77/77/01/1185777701.db2.gz NELZUKDRVCDGQA-RDJZCZTQSA-N 2 2 359.474 0.674 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)CC1 ZINC000975784922 1185783082 /nfs/dbraw/zinc/78/30/82/1185783082.db2.gz IBVSZFHVCDTPCS-HOCLYGCPSA-N 2 2 359.474 0.743 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000975815190 1185807765 /nfs/dbraw/zinc/80/77/65/1185807765.db2.gz CVECFMDVAVEXOB-RDJZCZTQSA-N 2 2 359.474 0.508 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000976023454 1185875506 /nfs/dbraw/zinc/87/55/06/1185875506.db2.gz FBCJDRFSOFGHLA-IKGGRYGDSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000976023454 1185875508 /nfs/dbraw/zinc/87/55/08/1185875508.db2.gz FBCJDRFSOFGHLA-IKGGRYGDSA-N 2 2 359.474 0.817 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000978961389 1186036730 /nfs/dbraw/zinc/03/67/30/1186036730.db2.gz UGPPQKCXTOGSJY-SLBVQIDZSA-N 2 2 359.474 0.866 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000978961389 1186036736 /nfs/dbraw/zinc/03/67/36/1186036736.db2.gz UGPPQKCXTOGSJY-SLBVQIDZSA-N 2 2 359.474 0.866 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000978963964 1186037797 /nfs/dbraw/zinc/03/77/97/1186037797.db2.gz LZBOTZPIVUCFLO-IBEHDNSVSA-N 2 2 359.474 0.866 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000978963964 1186037805 /nfs/dbraw/zinc/03/78/05/1186037805.db2.gz LZBOTZPIVUCFLO-IBEHDNSVSA-N 2 2 359.474 0.866 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000978963964 1186037815 /nfs/dbraw/zinc/03/78/15/1186037815.db2.gz LZBOTZPIVUCFLO-IBEHDNSVSA-N 2 2 359.474 0.866 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000978963964 1186037823 /nfs/dbraw/zinc/03/78/23/1186037823.db2.gz LZBOTZPIVUCFLO-IBEHDNSVSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001481469313 1186092607 /nfs/dbraw/zinc/09/26/07/1186092607.db2.gz RNWWZXMKQCQOLE-IAGOWNOFSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3nccn3C)CC2)CC[N@H+]1C ZINC001481469313 1186092609 /nfs/dbraw/zinc/09/26/09/1186092609.db2.gz RNWWZXMKQCQOLE-IAGOWNOFSA-N 2 2 362.522 0.336 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000981685370 1186487293 /nfs/dbraw/zinc/48/72/93/1186487293.db2.gz WMIFWKLYEJHNJG-ZMSDIMECSA-N 2 2 361.490 0.848 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000981685370 1186487302 /nfs/dbraw/zinc/48/73/02/1186487302.db2.gz WMIFWKLYEJHNJG-ZMSDIMECSA-N 2 2 361.490 0.848 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784275 1186520867 /nfs/dbraw/zinc/52/08/67/1186520867.db2.gz LSQREWVZUNEBDK-LSDHHAIUSA-N 2 2 359.474 0.460 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237825 1186651575 /nfs/dbraw/zinc/65/15/75/1186651575.db2.gz WNOJSCTTWJTXHO-QLFBSQMISA-N 2 2 362.478 0.534 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237825 1186651576 /nfs/dbraw/zinc/65/15/76/1186651576.db2.gz WNOJSCTTWJTXHO-QLFBSQMISA-N 2 2 362.478 0.534 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268237825 1186651578 /nfs/dbraw/zinc/65/15/78/1186651578.db2.gz WNOJSCTTWJTXHO-QLFBSQMISA-N 2 2 362.478 0.534 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268237825 1186651581 /nfs/dbraw/zinc/65/15/81/1186651581.db2.gz WNOJSCTTWJTXHO-QLFBSQMISA-N 2 2 362.478 0.534 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001087443594 1187521138 /nfs/dbraw/zinc/52/11/38/1187521138.db2.gz VBSHEXHGZZPLJI-GUDVDZBRSA-N 2 2 370.497 0.945 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001087443594 1187521140 /nfs/dbraw/zinc/52/11/40/1187521140.db2.gz VBSHEXHGZZPLJI-GUDVDZBRSA-N 2 2 370.497 0.945 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000549842239 1187535127 /nfs/dbraw/zinc/53/51/27/1187535127.db2.gz OFKBKBOYHGKIFI-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000549842239 1187535131 /nfs/dbraw/zinc/53/51/31/1187535131.db2.gz OFKBKBOYHGKIFI-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000549842239 1187535136 /nfs/dbraw/zinc/53/51/36/1187535136.db2.gz OFKBKBOYHGKIFI-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)C1 ZINC000549842239 1187535139 /nfs/dbraw/zinc/53/51/39/1187535139.db2.gz OFKBKBOYHGKIFI-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453739 1187548407 /nfs/dbraw/zinc/54/84/07/1187548407.db2.gz IOOPTARUFUTSNE-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453739 1187548417 /nfs/dbraw/zinc/54/84/17/1187548417.db2.gz IOOPTARUFUTSNE-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453739 1187548426 /nfs/dbraw/zinc/54/84/26/1187548426.db2.gz IOOPTARUFUTSNE-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453739 1187548432 /nfs/dbraw/zinc/54/84/32/1187548432.db2.gz IOOPTARUFUTSNE-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552023 1187604230 /nfs/dbraw/zinc/60/42/30/1187604230.db2.gz DNRXMXHXOBEMMO-HRCADAONSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552023 1187604235 /nfs/dbraw/zinc/60/42/35/1187604235.db2.gz DNRXMXHXOBEMMO-HRCADAONSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552023 1187604242 /nfs/dbraw/zinc/60/42/42/1187604242.db2.gz DNRXMXHXOBEMMO-HRCADAONSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028552023 1187604248 /nfs/dbraw/zinc/60/42/48/1187604248.db2.gz DNRXMXHXOBEMMO-HRCADAONSA-N 2 2 363.510 0.752 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083372867 1187696193 /nfs/dbraw/zinc/69/61/93/1187696193.db2.gz IVOBLVSARPNNTF-KURKYZTESA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083372867 1187696201 /nfs/dbraw/zinc/69/62/01/1187696201.db2.gz IVOBLVSARPNNTF-KURKYZTESA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)cc1 ZINC001083372867 1187696208 /nfs/dbraw/zinc/69/62/08/1187696208.db2.gz IVOBLVSARPNNTF-KURKYZTESA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)cc1 ZINC001083372867 1187696210 /nfs/dbraw/zinc/69/62/10/1187696210.db2.gz IVOBLVSARPNNTF-KURKYZTESA-N 2 2 363.458 0.330 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385259 1187712495 /nfs/dbraw/zinc/71/24/95/1187712495.db2.gz ITYIHWSEFAKZJP-PMPSAXMXSA-N 2 2 369.412 0.616 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385259 1187712497 /nfs/dbraw/zinc/71/24/97/1187712497.db2.gz ITYIHWSEFAKZJP-PMPSAXMXSA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385259 1187712502 /nfs/dbraw/zinc/71/25/02/1187712502.db2.gz ITYIHWSEFAKZJP-PMPSAXMXSA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385259 1187712504 /nfs/dbraw/zinc/71/25/04/1187712504.db2.gz ITYIHWSEFAKZJP-PMPSAXMXSA-N 2 2 369.412 0.616 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001028605035 1187747230 /nfs/dbraw/zinc/74/72/30/1187747230.db2.gz JPQOHVUFLRLHJB-ARFHVFGLSA-N 2 2 355.442 0.850 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001028605035 1187747234 /nfs/dbraw/zinc/74/72/34/1187747234.db2.gz JPQOHVUFLRLHJB-ARFHVFGLSA-N 2 2 355.442 0.850 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001028605035 1187747235 /nfs/dbraw/zinc/74/72/35/1187747235.db2.gz JPQOHVUFLRLHJB-ARFHVFGLSA-N 2 2 355.442 0.850 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001028605035 1187747239 /nfs/dbraw/zinc/74/72/39/1187747239.db2.gz JPQOHVUFLRLHJB-ARFHVFGLSA-N 2 2 355.442 0.850 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001028808914 1187907031 /nfs/dbraw/zinc/90/70/31/1187907031.db2.gz HDFIOCBGKRPBKV-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001028808914 1187907033 /nfs/dbraw/zinc/90/70/33/1187907033.db2.gz HDFIOCBGKRPBKV-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001077465614 1187966886 /nfs/dbraw/zinc/96/68/86/1187966886.db2.gz HMJYBSXMZALENT-BMGDILEWSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001077465615 1187967200 /nfs/dbraw/zinc/96/72/00/1187967200.db2.gz HMJYBSXMZALENT-ZTFGCOKTSA-N 2 2 356.426 0.684 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001270155128 1188032404 /nfs/dbraw/zinc/03/24/04/1188032404.db2.gz GZZXMLCKEZUERE-INIZCTEOSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075741968 1188056322 /nfs/dbraw/zinc/05/63/22/1188056322.db2.gz BKZIODFPRAGSEW-ARFHVFGLSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075741968 1188056326 /nfs/dbraw/zinc/05/63/26/1188056326.db2.gz BKZIODFPRAGSEW-ARFHVFGLSA-N 2 2 359.474 0.884 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)c1cccc3c[nH+]cn31)CC2 ZINC001270367977 1188120852 /nfs/dbraw/zinc/12/08/52/1188120852.db2.gz CJVZBIJTAVWAEA-UHFFFAOYSA-N 2 2 355.442 0.961 20 0 FCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001270371714 1188123148 /nfs/dbraw/zinc/12/31/48/1188123148.db2.gz VXQSTVTYPMUSPQ-ARFHVFGLSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1c[nH+]cn1C)[NH+]1CCCC1 ZINC001270489101 1188168549 /nfs/dbraw/zinc/16/85/49/1188168549.db2.gz FAIOGQYHLURITI-USXIJHARSA-N 2 2 359.474 0.996 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(=O)Nc1ccon1 ZINC001270516275 1188183407 /nfs/dbraw/zinc/18/34/07/1188183407.db2.gz AJXJVMRHQXVJBR-JHJVBQTASA-N 2 2 360.418 0.492 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765508 1188214824 /nfs/dbraw/zinc/21/48/24/1188214824.db2.gz SMWQECAMXDQAST-PMPSAXMXSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765508 1188214828 /nfs/dbraw/zinc/21/48/28/1188214828.db2.gz SMWQECAMXDQAST-PMPSAXMXSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765508 1188214832 /nfs/dbraw/zinc/21/48/32/1188214832.db2.gz SMWQECAMXDQAST-PMPSAXMXSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765508 1188214833 /nfs/dbraw/zinc/21/48/33/1188214833.db2.gz SMWQECAMXDQAST-PMPSAXMXSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)c1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984012408 1189372265 /nfs/dbraw/zinc/37/22/65/1189372265.db2.gz FVVCQGDZSZSECK-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984012408 1189372273 /nfs/dbraw/zinc/37/22/73/1189372273.db2.gz FVVCQGDZSZSECK-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCc1nc(C)no1 ZINC001087529382 1189383078 /nfs/dbraw/zinc/38/30/78/1189383078.db2.gz DUIWNXYCQAZFPP-ARFHVFGLSA-N 2 2 365.478 0.610 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCc1nc(C)no1 ZINC001087529382 1189383083 /nfs/dbraw/zinc/38/30/83/1189383083.db2.gz DUIWNXYCQAZFPP-ARFHVFGLSA-N 2 2 365.478 0.610 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCc1nc(C)no1 ZINC001087529382 1189383093 /nfs/dbraw/zinc/38/30/93/1189383093.db2.gz DUIWNXYCQAZFPP-ARFHVFGLSA-N 2 2 365.478 0.610 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087528785 1189383999 /nfs/dbraw/zinc/38/39/99/1189383999.db2.gz AHOALIFIPOKADW-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087528785 1189384005 /nfs/dbraw/zinc/38/40/05/1189384005.db2.gz AHOALIFIPOKADW-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087528785 1189384012 /nfs/dbraw/zinc/38/40/12/1189384012.db2.gz AHOALIFIPOKADW-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087528785 1189384018 /nfs/dbraw/zinc/38/40/18/1189384018.db2.gz AHOALIFIPOKADW-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(OC)ccn1 ZINC001087529110 1189384134 /nfs/dbraw/zinc/38/41/34/1189384134.db2.gz QGENFKAOWREUJN-KSZLIROESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(OC)ccn1 ZINC001087529110 1189384139 /nfs/dbraw/zinc/38/41/39/1189384139.db2.gz QGENFKAOWREUJN-KSZLIROESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(OC)ccn1 ZINC001087529110 1189384142 /nfs/dbraw/zinc/38/41/42/1189384142.db2.gz QGENFKAOWREUJN-KSZLIROESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(OC)ccn1 ZINC001087529110 1189384147 /nfs/dbraw/zinc/38/41/47/1189384147.db2.gz QGENFKAOWREUJN-KSZLIROESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569924 1189606685 /nfs/dbraw/zinc/60/66/85/1189606685.db2.gz SOLRXJXKVUNUCV-RRFJBIMHSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569924 1189606706 /nfs/dbraw/zinc/60/67/06/1189606706.db2.gz SOLRXJXKVUNUCV-RRFJBIMHSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569924 1189606713 /nfs/dbraw/zinc/60/67/13/1189606713.db2.gz SOLRXJXKVUNUCV-RRFJBIMHSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569924 1189606724 /nfs/dbraw/zinc/60/67/24/1189606724.db2.gz SOLRXJXKVUNUCV-RRFJBIMHSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087622407 1189672138 /nfs/dbraw/zinc/67/21/38/1189672138.db2.gz KIBIZTRTXUYXCF-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087622407 1189672148 /nfs/dbraw/zinc/67/21/48/1189672148.db2.gz KIBIZTRTXUYXCF-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087622407 1189672150 /nfs/dbraw/zinc/67/21/50/1189672150.db2.gz KIBIZTRTXUYXCF-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 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/nfs/dbraw/zinc/92/95/93/1193929593.db2.gz USCZAUBWQQMZOD-WMLDXEAASA-N 2 2 353.426 0.759 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)NC1CC1 ZINC001075993423 1193929597 /nfs/dbraw/zinc/92/95/97/1193929597.db2.gz USCZAUBWQQMZOD-WMLDXEAASA-N 2 2 353.426 0.759 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630221 1224185840 /nfs/dbraw/zinc/18/58/40/1224185840.db2.gz HHBVXRNDKYHCAN-BPQIPLTHSA-N 2 2 362.474 0.702 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630221 1224185843 /nfs/dbraw/zinc/18/58/43/1224185843.db2.gz HHBVXRNDKYHCAN-BPQIPLTHSA-N 2 2 362.474 0.702 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105672891 1194077555 /nfs/dbraw/zinc/07/75/55/1194077555.db2.gz DNAULVNTJPMWSP-RWQQGDIJSA-N 2 2 364.490 0.886 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105674283 1194088414 /nfs/dbraw/zinc/08/84/14/1194088414.db2.gz VLZBGYMHIBLREK-PSBWJHGTSA-N 2 2 364.490 0.886 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046731 1194273747 /nfs/dbraw/zinc/27/37/47/1194273747.db2.gz JCYBOUWGHPDYDH-SUMWQHHRSA-N 2 2 351.414 0.809 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046731 1194273754 /nfs/dbraw/zinc/27/37/54/1194273754.db2.gz JCYBOUWGHPDYDH-SUMWQHHRSA-N 2 2 351.414 0.809 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107338 1194308808 /nfs/dbraw/zinc/30/88/08/1194308808.db2.gz QSLUVACZLTVUSJ-YESZJQIVSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107338 1194308813 /nfs/dbraw/zinc/30/88/13/1194308813.db2.gz QSLUVACZLTVUSJ-YESZJQIVSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076107302 1194309123 /nfs/dbraw/zinc/30/91/23/1194309123.db2.gz PPNVOKAAOWZBCF-RYQLBKOJSA-N 2 2 371.485 0.959 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174416 1194337928 /nfs/dbraw/zinc/33/79/28/1194337928.db2.gz LCGHPVOMVDGCJL-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174416 1194337933 /nfs/dbraw/zinc/33/79/33/1194337933.db2.gz LCGHPVOMVDGCJL-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174416 1194337939 /nfs/dbraw/zinc/33/79/39/1194337939.db2.gz LCGHPVOMVDGCJL-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174416 1194337940 /nfs/dbraw/zinc/33/79/40/1194337940.db2.gz LCGHPVOMVDGCJL-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]31)C2 ZINC001076245405 1194371203 /nfs/dbraw/zinc/37/12/03/1194371203.db2.gz ATVQEQKZEMIRMF-RVKKMQEKSA-N 2 2 369.473 0.615 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]31)C2 ZINC001076245405 1194371207 /nfs/dbraw/zinc/37/12/07/1194371207.db2.gz ATVQEQKZEMIRMF-RVKKMQEKSA-N 2 2 369.473 0.615 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076295763 1194387823 /nfs/dbraw/zinc/38/78/23/1194387823.db2.gz XLUXSWYXVZIQNT-CWRNSKLLSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076295763 1194387831 /nfs/dbraw/zinc/38/78/31/1194387831.db2.gz XLUXSWYXVZIQNT-CWRNSKLLSA-N 2 2 359.474 0.884 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365938 1194422580 /nfs/dbraw/zinc/42/25/80/1194422580.db2.gz VLXGWQSGCBWUCF-MAUKXSAKSA-N 2 2 362.474 0.992 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365938 1194422584 /nfs/dbraw/zinc/42/25/84/1194422584.db2.gz VLXGWQSGCBWUCF-MAUKXSAKSA-N 2 2 362.474 0.992 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406303 1194451279 /nfs/dbraw/zinc/45/12/79/1194451279.db2.gz CJGVJPVOULEKKK-HEHGZKQESA-N 2 2 354.414 0.287 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406303 1194451288 /nfs/dbraw/zinc/45/12/88/1194451288.db2.gz CJGVJPVOULEKKK-HEHGZKQESA-N 2 2 354.414 0.287 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406475 1194451422 /nfs/dbraw/zinc/45/14/22/1194451422.db2.gz MREVTTUIQCGZTJ-RRQGHBQHSA-N 2 2 368.441 0.678 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406475 1194451435 /nfs/dbraw/zinc/45/14/35/1194451435.db2.gz MREVTTUIQCGZTJ-RRQGHBQHSA-N 2 2 368.441 0.678 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076462301 1194507292 /nfs/dbraw/zinc/50/72/92/1194507292.db2.gz PCAACPORELVJHJ-OFQRWUPVSA-N 2 2 355.446 0.274 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076462301 1194507300 /nfs/dbraw/zinc/50/73/00/1194507300.db2.gz PCAACPORELVJHJ-OFQRWUPVSA-N 2 2 355.446 0.274 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076517612 1194532993 /nfs/dbraw/zinc/53/29/93/1194532993.db2.gz OWFCMAJXHVRBJJ-GRDNDAEWSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076517612 1194532999 /nfs/dbraw/zinc/53/29/99/1194532999.db2.gz OWFCMAJXHVRBJJ-GRDNDAEWSA-N 2 2 359.474 0.553 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001076574935 1194572286 /nfs/dbraw/zinc/57/22/86/1194572286.db2.gz RYVKFRXTSUQIRC-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001076574935 1194572290 /nfs/dbraw/zinc/57/22/90/1194572290.db2.gz RYVKFRXTSUQIRC-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001076576372 1194582692 /nfs/dbraw/zinc/58/26/92/1194582692.db2.gz IJTZCHRLEZJYFH-RYQLBKOJSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001076576372 1194582695 /nfs/dbraw/zinc/58/26/95/1194582695.db2.gz IJTZCHRLEZJYFH-RYQLBKOJSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC001076576693 1194582735 /nfs/dbraw/zinc/58/27/35/1194582735.db2.gz WGKNOUMMSRYTFP-XYJFISCASA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC001076576693 1194582738 /nfs/dbraw/zinc/58/27/38/1194582738.db2.gz WGKNOUMMSRYTFP-XYJFISCASA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001076576489 1194582888 /nfs/dbraw/zinc/58/28/88/1194582888.db2.gz NVFQUVCOMHGEDQ-XYJFISCASA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001076576489 1194582895 /nfs/dbraw/zinc/58/28/95/1194582895.db2.gz NVFQUVCOMHGEDQ-XYJFISCASA-N 2 2 361.490 0.421 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001076632599 1194606832 /nfs/dbraw/zinc/60/68/32/1194606832.db2.gz QKTSTOURJLXKNE-DLBZAZTESA-N 2 2 353.426 0.715 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001076632599 1194606836 /nfs/dbraw/zinc/60/68/36/1194606836.db2.gz QKTSTOURJLXKNE-DLBZAZTESA-N 2 2 353.426 0.715 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1)C1CC1 ZINC001218905297 1224253177 /nfs/dbraw/zinc/25/31/77/1224253177.db2.gz PTESPGQODKXIPP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1)C1CC1 ZINC001218905297 1224253184 /nfs/dbraw/zinc/25/31/84/1224253184.db2.gz PTESPGQODKXIPP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1)C1CC1 ZINC001218905297 1224253193 /nfs/dbraw/zinc/25/31/93/1224253193.db2.gz PTESPGQODKXIPP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1)C1CC1 ZINC001218905297 1224253203 /nfs/dbraw/zinc/25/32/03/1224253203.db2.gz PTESPGQODKXIPP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905708 1224253696 /nfs/dbraw/zinc/25/36/96/1224253696.db2.gz WWNACCMRTAHBCW-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905708 1224253707 /nfs/dbraw/zinc/25/37/07/1224253707.db2.gz WWNACCMRTAHBCW-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905708 1224253717 /nfs/dbraw/zinc/25/37/17/1224253717.db2.gz WWNACCMRTAHBCW-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905708 1224253727 /nfs/dbraw/zinc/25/37/27/1224253727.db2.gz WWNACCMRTAHBCW-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC001076834424 1195042671 /nfs/dbraw/zinc/04/26/71/1195042671.db2.gz RCKBUMFMJSMGTL-GUDVDZBRSA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC001076834424 1195042675 /nfs/dbraw/zinc/04/26/75/1195042675.db2.gz RCKBUMFMJSMGTL-GUDVDZBRSA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)c1 ZINC001076834424 1195042677 /nfs/dbraw/zinc/04/26/77/1195042677.db2.gz RCKBUMFMJSMGTL-GUDVDZBRSA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)c1 ZINC001076834424 1195042679 /nfs/dbraw/zinc/04/26/79/1195042679.db2.gz RCKBUMFMJSMGTL-GUDVDZBRSA-N 2 2 361.486 0.604 20 0 FCADLP CCc1ccccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837135 1195044258 /nfs/dbraw/zinc/04/42/58/1195044258.db2.gz PRRKXVLUUDIQEP-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837135 1195044263 /nfs/dbraw/zinc/04/42/63/1195044263.db2.gz PRRKXVLUUDIQEP-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076837135 1195044268 /nfs/dbraw/zinc/04/42/68/1195044268.db2.gz PRRKXVLUUDIQEP-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076837135 1195044271 /nfs/dbraw/zinc/04/42/71/1195044271.db2.gz PRRKXVLUUDIQEP-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838955 1195044560 /nfs/dbraw/zinc/04/45/60/1195044560.db2.gz UIEXWQNDFHRKEP-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838955 1195044565 /nfs/dbraw/zinc/04/45/65/1195044565.db2.gz UIEXWQNDFHRKEP-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838955 1195044569 /nfs/dbraw/zinc/04/45/69/1195044569.db2.gz UIEXWQNDFHRKEP-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838955 1195044574 /nfs/dbraw/zinc/04/45/74/1195044574.db2.gz UIEXWQNDFHRKEP-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560090 1195160647 /nfs/dbraw/zinc/16/06/47/1195160647.db2.gz QKGCKWNKPPYVER-SJORKVTESA-N 2 2 362.474 0.774 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560090 1195160650 /nfs/dbraw/zinc/16/06/50/1195160650.db2.gz QKGCKWNKPPYVER-SJORKVTESA-N 2 2 362.474 0.774 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)c[nH+]1 ZINC001083563313 1195220266 /nfs/dbraw/zinc/22/02/66/1195220266.db2.gz JCUOFWDTGSCPHR-XHSDSOJGSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)c[nH+]1 ZINC001083563313 1195220274 /nfs/dbraw/zinc/22/02/74/1195220274.db2.gz JCUOFWDTGSCPHR-XHSDSOJGSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131733 1195248159 /nfs/dbraw/zinc/24/81/59/1195248159.db2.gz IXCJNWRMJUWDBB-CGTJXYLNSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131733 1195248166 /nfs/dbraw/zinc/24/81/66/1195248166.db2.gz IXCJNWRMJUWDBB-CGTJXYLNSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131733 1195248171 /nfs/dbraw/zinc/24/81/71/1195248171.db2.gz IXCJNWRMJUWDBB-CGTJXYLNSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131733 1195248176 /nfs/dbraw/zinc/24/81/76/1195248176.db2.gz IXCJNWRMJUWDBB-CGTJXYLNSA-N 2 2 361.490 0.709 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077132385 1195248917 /nfs/dbraw/zinc/24/89/17/1195248917.db2.gz WOFONAPRQNFATK-KZNAEPCWSA-N 2 2 361.490 0.488 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077132385 1195248923 /nfs/dbraw/zinc/24/89/23/1195248923.db2.gz WOFONAPRQNFATK-KZNAEPCWSA-N 2 2 361.490 0.488 20 0 FCADLP C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218943752 1224268831 /nfs/dbraw/zinc/26/88/31/1224268831.db2.gz ACEMGDODJGDCGB-MLGOLLRUSA-N 2 2 372.473 0.236 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)c[nH+]1 ZINC001077209461 1195322681 /nfs/dbraw/zinc/32/26/81/1195322681.db2.gz JCUOFWDTGSCPHR-BZUAXINKSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)c[nH+]1 ZINC001077209461 1195322687 /nfs/dbraw/zinc/32/26/87/1195322687.db2.gz JCUOFWDTGSCPHR-BZUAXINKSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077218422 1195327620 /nfs/dbraw/zinc/32/76/20/1195327620.db2.gz ZXTYOGPAFCVILM-IAGOWNOFSA-N 2 2 362.474 0.829 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077218422 1195327626 /nfs/dbraw/zinc/32/76/26/1195327626.db2.gz ZXTYOGPAFCVILM-IAGOWNOFSA-N 2 2 362.474 0.829 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965234 1224273078 /nfs/dbraw/zinc/27/30/78/1224273078.db2.gz HYRNBSWYJRHCOW-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965234 1224273085 /nfs/dbraw/zinc/27/30/85/1224273085.db2.gz HYRNBSWYJRHCOW-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965234 1224273088 /nfs/dbraw/zinc/27/30/88/1224273088.db2.gz HYRNBSWYJRHCOW-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965234 1224273093 /nfs/dbraw/zinc/27/30/93/1224273093.db2.gz HYRNBSWYJRHCOW-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218964925 1224273569 /nfs/dbraw/zinc/27/35/69/1224273569.db2.gz AGADCLYEEVBWAG-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218964925 1224273573 /nfs/dbraw/zinc/27/35/73/1224273573.db2.gz AGADCLYEEVBWAG-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218964925 1224273581 /nfs/dbraw/zinc/27/35/81/1224273581.db2.gz AGADCLYEEVBWAG-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218964925 1224273587 /nfs/dbraw/zinc/27/35/87/1224273587.db2.gz AGADCLYEEVBWAG-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970126 1224275330 /nfs/dbraw/zinc/27/53/30/1224275330.db2.gz CXAINUSQZQCCIM-HYVNUMGLSA-N 2 2 363.462 0.027 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970126 1224275332 /nfs/dbraw/zinc/27/53/32/1224275332.db2.gz CXAINUSQZQCCIM-HYVNUMGLSA-N 2 2 363.462 0.027 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276340 1195377593 /nfs/dbraw/zinc/37/75/93/1195377593.db2.gz YAZGOYHMAKJRCA-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276340 1195377599 /nfs/dbraw/zinc/37/75/99/1195377599.db2.gz YAZGOYHMAKJRCA-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)N(C(C)=O)CC2 ZINC001218987857 1224279843 /nfs/dbraw/zinc/27/98/43/1224279843.db2.gz RXRQXTIUAXKNEG-AWEZNQCLSA-N 2 2 357.414 0.846 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299610 1195398945 /nfs/dbraw/zinc/39/89/45/1195398945.db2.gz JQXHWGABAHUUFV-IAGOWNOFSA-N 2 2 371.441 0.513 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299610 1195398948 /nfs/dbraw/zinc/39/89/48/1195398948.db2.gz JQXHWGABAHUUFV-IAGOWNOFSA-N 2 2 371.441 0.513 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083573716 1195448688 /nfs/dbraw/zinc/44/86/88/1195448688.db2.gz SDTASPWENMMIBF-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083573716 1195448696 /nfs/dbraw/zinc/44/86/96/1195448696.db2.gz SDTASPWENMMIBF-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)cc1 ZINC001083573716 1195448699 /nfs/dbraw/zinc/44/86/99/1195448699.db2.gz SDTASPWENMMIBF-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)cc1 ZINC001083573716 1195448704 /nfs/dbraw/zinc/44/87/04/1195448704.db2.gz SDTASPWENMMIBF-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366615 1195465861 /nfs/dbraw/zinc/46/58/61/1195465861.db2.gz RRWBUQHICUJTTO-CGTJXYLNSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366615 1195465864 /nfs/dbraw/zinc/46/58/64/1195465864.db2.gz RRWBUQHICUJTTO-CGTJXYLNSA-N 2 2 371.441 0.611 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000909 1224283078 /nfs/dbraw/zinc/28/30/78/1224283078.db2.gz FXTFDFKYSTYSMS-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000909 1224283087 /nfs/dbraw/zinc/28/30/87/1224283087.db2.gz FXTFDFKYSTYSMS-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001077394728 1195492454 /nfs/dbraw/zinc/49/24/54/1195492454.db2.gz APWNTEHHWJONRN-QZTJIDSGSA-N 2 2 371.441 0.511 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001077394728 1195492456 /nfs/dbraw/zinc/49/24/56/1195492456.db2.gz APWNTEHHWJONRN-QZTJIDSGSA-N 2 2 371.441 0.511 20 0 FCADLP C[C@]1(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC[NH2+]C1 ZINC000904341885 1195532042 /nfs/dbraw/zinc/53/20/42/1195532042.db2.gz YTCWDXGHROCBEB-IBGZPJMESA-N 2 2 360.506 0.825 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)C1CC1 ZINC001219010222 1224290346 /nfs/dbraw/zinc/29/03/46/1224290346.db2.gz GYNBGVCTVMOUJY-RCCFBDPRSA-N 2 2 362.474 0.987 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)C1CC1 ZINC001219010222 1224290351 /nfs/dbraw/zinc/29/03/51/1224290351.db2.gz GYNBGVCTVMOUJY-RCCFBDPRSA-N 2 2 362.474 0.987 20 0 FCADLP O=C(CC[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)Nc1cccnc1 ZINC000905445994 1195586139 /nfs/dbraw/zinc/58/61/39/1195586139.db2.gz ASFHAJHGFPYBJK-SFHVURJKSA-N 2 2 361.490 0.796 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CCC1 ZINC001083590735 1195586178 /nfs/dbraw/zinc/58/61/78/1195586178.db2.gz SNHPFRWSMCBNPC-IXDOHACOSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CCC1 ZINC001083590735 1195586179 /nfs/dbraw/zinc/58/61/79/1195586179.db2.gz SNHPFRWSMCBNPC-IXDOHACOSA-N 2 2 366.462 0.326 20 0 FCADLP Cn1ccc([C@H]2CCC[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)n1 ZINC000905718514 1195598706 /nfs/dbraw/zinc/59/87/06/1195598706.db2.gz OQRKVJIVJAPQJA-AWEZNQCLSA-N 2 2 360.462 0.573 20 0 FCADLP Cn1ccc([C@H]2CCC[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)n1 ZINC000905718514 1195598708 /nfs/dbraw/zinc/59/87/08/1195598708.db2.gz OQRKVJIVJAPQJA-AWEZNQCLSA-N 2 2 360.462 0.573 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(Cc4ncon4)nn3)CC2)CC1 ZINC000906318977 1195624453 /nfs/dbraw/zinc/62/44/53/1195624453.db2.gz FPOWPRZJDPKFGE-UHFFFAOYSA-N 2 2 374.493 0.701 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn(Cc4ncon4)nn3)CC2)CC1 ZINC000906318977 1195624457 /nfs/dbraw/zinc/62/44/57/1195624457.db2.gz FPOWPRZJDPKFGE-UHFFFAOYSA-N 2 2 374.493 0.701 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664559 1195643407 /nfs/dbraw/zinc/64/34/07/1195643407.db2.gz LVVSDTYHYRKXEV-OAHLLOKOSA-N 3 2 359.474 0.369 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664559 1195643414 /nfs/dbraw/zinc/64/34/14/1195643414.db2.gz LVVSDTYHYRKXEV-OAHLLOKOSA-N 3 2 359.474 0.369 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601697 1195652183 /nfs/dbraw/zinc/65/21/83/1195652183.db2.gz IYUKQSUWLRGTDA-SJORKVTESA-N 2 2 362.474 0.835 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601697 1195652186 /nfs/dbraw/zinc/65/21/86/1195652186.db2.gz IYUKQSUWLRGTDA-SJORKVTESA-N 2 2 362.474 0.835 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083606995 1195681805 /nfs/dbraw/zinc/68/18/05/1195681805.db2.gz AAMVEXGOVUKIEE-QLFBSQMISA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083606995 1195681808 /nfs/dbraw/zinc/68/18/08/1195681808.db2.gz AAMVEXGOVUKIEE-QLFBSQMISA-N 2 2 366.368 0.533 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587855 1195702793 /nfs/dbraw/zinc/70/27/93/1195702793.db2.gz LLTYHLUVXBSHDY-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587855 1195702797 /nfs/dbraw/zinc/70/27/97/1195702797.db2.gz LLTYHLUVXBSHDY-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587855 1195702803 /nfs/dbraw/zinc/70/28/03/1195702803.db2.gz LLTYHLUVXBSHDY-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587855 1195702808 /nfs/dbraw/zinc/70/28/08/1195702808.db2.gz LLTYHLUVXBSHDY-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP [NH3+]CC1(c2ccccc2)CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000910986487 1195873772 /nfs/dbraw/zinc/87/37/72/1195873772.db2.gz JDIGLRYIFRBPSM-UHFFFAOYSA-N 2 2 355.442 0.518 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000911187041 1195904531 /nfs/dbraw/zinc/90/45/31/1195904531.db2.gz AXWFGHAYPTUAGV-KRWDZBQOSA-N 2 2 373.501 0.122 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042517 1224311148 /nfs/dbraw/zinc/31/11/48/1224311148.db2.gz HZCLMRJXDSHEMY-RCCFBDPRSA-N 2 2 369.506 0.291 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042517 1224311158 /nfs/dbraw/zinc/31/11/58/1224311158.db2.gz HZCLMRJXDSHEMY-RCCFBDPRSA-N 2 2 369.506 0.291 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042517 1224311165 /nfs/dbraw/zinc/31/11/65/1224311165.db2.gz HZCLMRJXDSHEMY-RCCFBDPRSA-N 2 2 369.506 0.291 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042517 1224311173 /nfs/dbraw/zinc/31/11/73/1224311173.db2.gz HZCLMRJXDSHEMY-RCCFBDPRSA-N 2 2 369.506 0.291 20 0 FCADLP C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000911938082 1196322479 /nfs/dbraw/zinc/32/24/79/1196322479.db2.gz BKPQVVPJVRKPNB-LJQANCHMSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000911938082 1196322484 /nfs/dbraw/zinc/32/24/84/1196322484.db2.gz BKPQVVPJVRKPNB-LJQANCHMSA-N 2 2 361.486 0.803 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC[NH2+]2)cn1 ZINC000913469986 1196439541 /nfs/dbraw/zinc/43/95/41/1196439541.db2.gz VINNTGHXKPKOGU-KRWDZBQOSA-N 2 2 361.490 0.928 20 0 FCADLP NC(=O)C1CCN(c2ccccc2NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001219088536 1224348140 /nfs/dbraw/zinc/34/81/40/1224348140.db2.gz YCLALKNEHWALES-CQSZACIVSA-N 2 2 356.430 0.620 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000591644088 1196522715 /nfs/dbraw/zinc/52/27/15/1196522715.db2.gz PRIGNXXPNVZKBR-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000591644088 1196522721 /nfs/dbraw/zinc/52/27/21/1196522721.db2.gz PRIGNXXPNVZKBR-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1=O ZINC000591644088 1196522727 /nfs/dbraw/zinc/52/27/27/1196522727.db2.gz PRIGNXXPNVZKBR-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1=O ZINC000591644088 1196522730 /nfs/dbraw/zinc/52/27/30/1196522730.db2.gz PRIGNXXPNVZKBR-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC(=O)CN(C(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000592472091 1196563797 /nfs/dbraw/zinc/56/37/97/1196563797.db2.gz JCVZVUDRFJKSSJ-UHFFFAOYSA-N 2 2 362.474 0.420 20 0 FCADLP CCOC(=O)CN(C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000592472091 1196563798 /nfs/dbraw/zinc/56/37/98/1196563798.db2.gz JCVZVUDRFJKSSJ-UHFFFAOYSA-N 2 2 362.474 0.420 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000592564078 1196569255 /nfs/dbraw/zinc/56/92/55/1196569255.db2.gz DZPILUIWNWLTQC-VYDXJSESSA-N 2 2 361.490 0.902 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)Nc1cccc(N3CC[NH2+]CC3)c1)C[NH2+]C2 ZINC001219116864 1224360301 /nfs/dbraw/zinc/36/03/01/1224360301.db2.gz STMJCMZZJIUFCI-HNNXBMFYSA-N 2 2 355.446 0.533 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302806 1196811169 /nfs/dbraw/zinc/81/11/69/1196811169.db2.gz KMBSFNSKVAMTPV-SJORKVTESA-N 2 2 357.458 0.713 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302806 1196811170 /nfs/dbraw/zinc/81/11/70/1196811170.db2.gz KMBSFNSKVAMTPV-SJORKVTESA-N 2 2 357.458 0.713 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001088981161 1196856421 /nfs/dbraw/zinc/85/64/21/1196856421.db2.gz FPXAIJLLJYEWPH-WBVHZDCISA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001088981161 1196856423 /nfs/dbraw/zinc/85/64/23/1196856423.db2.gz FPXAIJLLJYEWPH-WBVHZDCISA-N 2 2 361.490 0.800 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)ccn12 ZINC000992088927 1196943004 /nfs/dbraw/zinc/94/30/04/1196943004.db2.gz HQERMQCDWHUZLM-CZUORRHYSA-N 2 2 355.442 0.924 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)ccn12 ZINC000992088927 1196943009 /nfs/dbraw/zinc/94/30/09/1196943009.db2.gz HQERMQCDWHUZLM-CZUORRHYSA-N 2 2 355.442 0.924 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001272459952 1197087983 /nfs/dbraw/zinc/08/79/83/1197087983.db2.gz QZLFHWWENMGDPZ-BBWFWOEESA-N 2 2 358.446 0.510 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001272459952 1197087988 /nfs/dbraw/zinc/08/79/88/1197087988.db2.gz QZLFHWWENMGDPZ-BBWFWOEESA-N 2 2 358.446 0.510 20 0 FCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5[nH+]c[nH]c54)CC3)[C@@H]2C1 ZINC001272521982 1197250680 /nfs/dbraw/zinc/25/06/80/1197250680.db2.gz OUZOEPOVJYZFOW-BFHYXJOUSA-N 2 2 357.458 0.498 20 0 FCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5[nH+]c[nH]c54)CC3)[C@@H]2C1 ZINC001272521982 1197250686 /nfs/dbraw/zinc/25/06/86/1197250686.db2.gz OUZOEPOVJYZFOW-BFHYXJOUSA-N 2 2 357.458 0.498 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992839238 1197544605 /nfs/dbraw/zinc/54/46/05/1197544605.db2.gz IQWZZNAZBURILH-YZVOILCLSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992839238 1197544613 /nfs/dbraw/zinc/54/46/13/1197544613.db2.gz IQWZZNAZBURILH-YZVOILCLSA-N 2 2 359.474 0.743 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199117 1197648691 /nfs/dbraw/zinc/64/86/91/1197648691.db2.gz QKRTUBZKDSTHIZ-BZUAXINKSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199117 1197648696 /nfs/dbraw/zinc/64/86/96/1197648696.db2.gz QKRTUBZKDSTHIZ-BZUAXINKSA-N 2 2 366.462 0.353 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1)C1CC1 ZINC000993026266 1197692978 /nfs/dbraw/zinc/69/29/78/1197692978.db2.gz QELCEOZLHTULME-LJHODMEESA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276230 1197743811 /nfs/dbraw/zinc/74/38/11/1197743811.db2.gz WWAKLSDKFOFKQY-WMZOPIPTSA-N 2 2 367.538 0.565 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248247 1197746260 /nfs/dbraw/zinc/74/62/60/1197746260.db2.gz ALPHKABKVGVSLB-KBRIMQKVSA-N 2 2 357.462 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106223161 1197749865 /nfs/dbraw/zinc/74/98/65/1197749865.db2.gz DBNKACXGJMIYNI-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106223161 1197749872 /nfs/dbraw/zinc/74/98/72/1197749872.db2.gz DBNKACXGJMIYNI-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)nc1=O ZINC001085260284 1197761023 /nfs/dbraw/zinc/76/10/23/1197761023.db2.gz GJSSYMTZIDAORP-HUUCEWRRSA-N 2 2 369.429 0.587 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)CC1 ZINC000993086364 1197809120 /nfs/dbraw/zinc/80/91/20/1197809120.db2.gz OSTWBITXPUNDTA-APWZRJJASA-N 2 2 359.474 0.532 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001085332734 1197826275 /nfs/dbraw/zinc/82/62/75/1197826275.db2.gz KTJIKUSDLIAAOQ-RRFJBIMHSA-N 2 2 364.494 0.994 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001085332734 1197826279 /nfs/dbraw/zinc/82/62/79/1197826279.db2.gz KTJIKUSDLIAAOQ-RRFJBIMHSA-N 2 2 364.494 0.994 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085337582 1197831438 /nfs/dbraw/zinc/83/14/38/1197831438.db2.gz IJMLNWZLZDISPD-AAVRWANBSA-N 2 2 373.461 0.163 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200985 1197839652 /nfs/dbraw/zinc/83/96/52/1197839652.db2.gz JWVTYRVWBLAPSY-IAGOWNOFSA-N 2 2 358.442 0.850 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200985 1197839655 /nfs/dbraw/zinc/83/96/55/1197839655.db2.gz JWVTYRVWBLAPSY-IAGOWNOFSA-N 2 2 358.442 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106339860 1197870233 /nfs/dbraw/zinc/87/02/33/1197870233.db2.gz CMMFWTJGZMPEMD-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342941 1197870850 /nfs/dbraw/zinc/87/08/50/1197870850.db2.gz JTSZTVVGPCPJJJ-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)C2 ZINC001106342962 1197871808 /nfs/dbraw/zinc/87/18/08/1197871808.db2.gz KMODUBRMICLSJQ-FVQBIDKESA-N 2 2 364.490 0.516 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)CC2 ZINC001106342962 1197871810 /nfs/dbraw/zinc/87/18/10/1197871810.db2.gz KMODUBRMICLSJQ-FVQBIDKESA-N 2 2 364.490 0.516 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106344686 1197873095 /nfs/dbraw/zinc/87/30/95/1197873095.db2.gz WFQWCYHAMMREPY-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP CCOC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c2c1OCCO2 ZINC001219373386 1224444926 /nfs/dbraw/zinc/44/49/26/1224444926.db2.gz RAFRFAQEJYMCRK-GFCCVEGCSA-N 2 2 360.370 0.866 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)C1 ZINC001085429180 1197895728 /nfs/dbraw/zinc/89/57/28/1197895728.db2.gz IZFPTQYPKSYSEB-OAGGEKHMSA-N 2 2 366.462 0.921 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)C1 ZINC001085429180 1197895730 /nfs/dbraw/zinc/89/57/30/1197895730.db2.gz IZFPTQYPKSYSEB-OAGGEKHMSA-N 2 2 366.462 0.921 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106498711 1197979403 /nfs/dbraw/zinc/97/94/03/1197979403.db2.gz LXFRFGZTEBNEED-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001006287513 1198232964 /nfs/dbraw/zinc/23/29/64/1198232964.db2.gz KQCYWUHWOREMDN-WNOSKKOXSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001006287513 1198232987 /nfs/dbraw/zinc/23/29/87/1198232987.db2.gz KQCYWUHWOREMDN-WNOSKKOXSA-N 2 2 359.474 0.851 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086368392 1198329343 /nfs/dbraw/zinc/32/93/43/1198329343.db2.gz CLOMGOFKFSTESG-WRQOLXDDSA-N 2 2 371.485 0.527 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1)C(N)=O ZINC001086368449 1198330069 /nfs/dbraw/zinc/33/00/69/1198330069.db2.gz GJTLDUYVJWLDNU-OXGONZEZSA-N 2 2 359.474 0.512 20 0 FCADLP O=C(NC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392279 1198345614 /nfs/dbraw/zinc/34/56/14/1198345614.db2.gz FZQBKPXJBJILGT-OXGONZEZSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(NC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392279 1198345620 /nfs/dbraw/zinc/34/56/20/1198345620.db2.gz FZQBKPXJBJILGT-OXGONZEZSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001086400598 1198355777 /nfs/dbraw/zinc/35/57/77/1198355777.db2.gz OLQOJZSLBQAKMM-QHSBEEBCSA-N 2 2 362.478 0.386 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001086400598 1198355782 /nfs/dbraw/zinc/35/57/82/1198355782.db2.gz OLQOJZSLBQAKMM-QHSBEEBCSA-N 2 2 362.478 0.386 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219543641 1224505108 /nfs/dbraw/zinc/50/51/08/1224505108.db2.gz ONKSJCDYRYGQHW-SJORKVTESA-N 2 2 358.442 0.850 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219543641 1224505111 /nfs/dbraw/zinc/50/51/11/1224505111.db2.gz ONKSJCDYRYGQHW-SJORKVTESA-N 2 2 358.442 0.850 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCn1cc[nH+]c1 ZINC001219564134 1224511501 /nfs/dbraw/zinc/51/15/01/1224511501.db2.gz SXIWIDPCRCEZOJ-INIZCTEOSA-N 2 2 354.414 0.167 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C[C@H]1F ZINC001219568046 1224512545 /nfs/dbraw/zinc/51/25/45/1224512545.db2.gz XCHIQHGMALUXIU-ZWKOTPCHSA-N 2 2 365.449 0.961 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001066547455 1198951923 /nfs/dbraw/zinc/95/19/23/1198951923.db2.gz DREJSXMJPFDRJF-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP COCc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(-c2ccnc(C)n2)n1 ZINC001169071926 1199044754 /nfs/dbraw/zinc/04/47/54/1199044754.db2.gz IFHBJUHAEIVPNM-GFCCVEGCSA-N 2 2 355.402 0.436 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001169254105 1199058263 /nfs/dbraw/zinc/05/82/63/1199058263.db2.gz QJQVQDASOGSDIS-UHFFFAOYSA-N 3 2 366.550 0.973 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001169254105 1199058269 /nfs/dbraw/zinc/05/82/69/1199058269.db2.gz QJQVQDASOGSDIS-UHFFFAOYSA-N 3 2 366.550 0.973 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129370462 1199129789 /nfs/dbraw/zinc/12/97/89/1199129789.db2.gz WAPHTZCYOMOVIP-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129370462 1199129792 /nfs/dbraw/zinc/12/97/92/1199129792.db2.gz WAPHTZCYOMOVIP-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129370462 1199129794 /nfs/dbraw/zinc/12/97/94/1199129794.db2.gz WAPHTZCYOMOVIP-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129370462 1199129795 /nfs/dbraw/zinc/12/97/95/1199129795.db2.gz WAPHTZCYOMOVIP-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665816 1224550817 /nfs/dbraw/zinc/55/08/17/1224550817.db2.gz YBHXJSJAKMSMPE-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665816 1224550819 /nfs/dbraw/zinc/55/08/19/1224550819.db2.gz YBHXJSJAKMSMPE-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665816 1224550825 /nfs/dbraw/zinc/55/08/25/1224550825.db2.gz YBHXJSJAKMSMPE-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665816 1224550834 /nfs/dbraw/zinc/55/08/34/1224550834.db2.gz YBHXJSJAKMSMPE-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386065 1200109816 /nfs/dbraw/zinc/10/98/16/1200109816.db2.gz WYYSVHCXPFFJKI-FDRQBBGKSA-N 2 2 357.462 0.952 20 0 FCADLP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386065 1200109831 /nfs/dbraw/zinc/10/98/31/1200109831.db2.gz WYYSVHCXPFFJKI-FDRQBBGKSA-N 2 2 357.462 0.952 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308002 1200156111 /nfs/dbraw/zinc/15/61/11/1200156111.db2.gz KGYUVAFNOGJCPH-NCOADZHNSA-N 2 2 362.474 0.491 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308002 1200156118 /nfs/dbraw/zinc/15/61/18/1200156118.db2.gz KGYUVAFNOGJCPH-NCOADZHNSA-N 2 2 362.474 0.491 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589751 1200410814 /nfs/dbraw/zinc/41/08/14/1200410814.db2.gz DAOAGLVFIAXIRI-CRWXNKLISA-N 2 2 365.478 0.166 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589751 1200410817 /nfs/dbraw/zinc/41/08/17/1200410817.db2.gz DAOAGLVFIAXIRI-CRWXNKLISA-N 2 2 365.478 0.166 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)CC1 ZINC001109648802 1200442450 /nfs/dbraw/zinc/44/24/50/1200442450.db2.gz DGPNDXCMLFTRCU-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)CC1 ZINC001109648802 1200442456 /nfs/dbraw/zinc/44/24/56/1200442456.db2.gz DGPNDXCMLFTRCU-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686755 1200463963 /nfs/dbraw/zinc/46/39/63/1200463963.db2.gz HDBHEEMBXGGBDK-MUQADHOPSA-N 2 2 368.522 0.447 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686755 1200463966 /nfs/dbraw/zinc/46/39/66/1200463966.db2.gz HDBHEEMBXGGBDK-MUQADHOPSA-N 2 2 368.522 0.447 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC1 ZINC001109798737 1200523229 /nfs/dbraw/zinc/52/32/29/1200523229.db2.gz PONIXZQRNUVZHH-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC1 ZINC001109798737 1200523237 /nfs/dbraw/zinc/52/32/37/1200523237.db2.gz PONIXZQRNUVZHH-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796662 1224616646 /nfs/dbraw/zinc/61/66/46/1224616646.db2.gz LJSUMEQGRSHAGC-OAGGEKHMSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796662 1224616652 /nfs/dbraw/zinc/61/66/52/1224616652.db2.gz LJSUMEQGRSHAGC-OAGGEKHMSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796662 1224616657 /nfs/dbraw/zinc/61/66/57/1224616657.db2.gz LJSUMEQGRSHAGC-OAGGEKHMSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796662 1224616661 /nfs/dbraw/zinc/61/66/61/1224616661.db2.gz LJSUMEQGRSHAGC-OAGGEKHMSA-N 2 2 368.522 0.325 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847764 1200560352 /nfs/dbraw/zinc/56/03/52/1200560352.db2.gz GHXZKVRSWWPOJX-LTIDMASMSA-N 2 2 366.506 0.474 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847764 1200560359 /nfs/dbraw/zinc/56/03/59/1200560359.db2.gz GHXZKVRSWWPOJX-LTIDMASMSA-N 2 2 366.506 0.474 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001219800899 1224621210 /nfs/dbraw/zinc/62/12/10/1224621210.db2.gz YGILCPWJZQHJAC-IKGGRYGDSA-N 2 2 365.522 0.801 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001219800899 1224621214 /nfs/dbraw/zinc/62/12/14/1224621214.db2.gz YGILCPWJZQHJAC-IKGGRYGDSA-N 2 2 365.522 0.801 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984297 1200677515 /nfs/dbraw/zinc/67/75/15/1200677515.db2.gz CWFVKONKTCMQQK-KMFMINBZSA-N 2 2 359.474 0.961 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109984297 1200677517 /nfs/dbraw/zinc/67/75/17/1200677517.db2.gz CWFVKONKTCMQQK-KMFMINBZSA-N 2 2 359.474 0.961 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016533 1200704197 /nfs/dbraw/zinc/70/41/97/1200704197.db2.gz SQQCCIVWXOCXSP-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016533 1200704220 /nfs/dbraw/zinc/70/42/20/1200704220.db2.gz SQQCCIVWXOCXSP-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110016533 1200704242 /nfs/dbraw/zinc/70/42/42/1200704242.db2.gz SQQCCIVWXOCXSP-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016533 1200704254 /nfs/dbraw/zinc/70/42/54/1200704254.db2.gz SQQCCIVWXOCXSP-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110020514 1200711658 /nfs/dbraw/zinc/71/16/58/1200711658.db2.gz GLJSSOHSTMQLFM-NCOADZHNSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110020514 1200711665 /nfs/dbraw/zinc/71/16/65/1200711665.db2.gz GLJSSOHSTMQLFM-NCOADZHNSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110020514 1200711668 /nfs/dbraw/zinc/71/16/68/1200711668.db2.gz GLJSSOHSTMQLFM-NCOADZHNSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110020514 1200711673 /nfs/dbraw/zinc/71/16/73/1200711673.db2.gz GLJSSOHSTMQLFM-NCOADZHNSA-N 2 2 366.506 0.297 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@@H]1O)C1CCC1 ZINC001219812194 1224630418 /nfs/dbraw/zinc/63/04/18/1224630418.db2.gz RFSMCCDARIRLQU-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@@H]1O)C1CCC1 ZINC001219812194 1224630421 /nfs/dbraw/zinc/63/04/21/1224630421.db2.gz RFSMCCDARIRLQU-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O)C1CCC1 ZINC001219812194 1224630425 /nfs/dbraw/zinc/63/04/25/1224630425.db2.gz RFSMCCDARIRLQU-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O)C1CCC1 ZINC001219812194 1224630427 /nfs/dbraw/zinc/63/04/27/1224630427.db2.gz RFSMCCDARIRLQU-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)C(=O)NC1CC1 ZINC001112590634 1200829843 /nfs/dbraw/zinc/82/98/43/1200829843.db2.gz INBLRYPNVRQHDF-DOXZYTNZSA-N 2 2 359.474 0.769 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000788564111 1200966136 /nfs/dbraw/zinc/96/61/36/1200966136.db2.gz PHYWEHPEOCSXNM-PMPSAXMXSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000788564111 1200966143 /nfs/dbraw/zinc/96/61/43/1200966143.db2.gz PHYWEHPEOCSXNM-PMPSAXMXSA-N 2 2 359.474 0.869 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853151 1224655388 /nfs/dbraw/zinc/65/53/88/1224655388.db2.gz HLLGOMUAYKPBSS-ZACQAIPSSA-N 2 2 368.478 0.295 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853151 1224655389 /nfs/dbraw/zinc/65/53/89/1224655389.db2.gz HLLGOMUAYKPBSS-ZACQAIPSSA-N 2 2 368.478 0.295 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncnc2c1C[NH+](C)CC2 ZINC001113921097 1201220000 /nfs/dbraw/zinc/22/00/00/1201220000.db2.gz JHXFHOHPSKNAGJ-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1ncnc2c1C[NH+](C)CC2 ZINC001113921097 1201220002 /nfs/dbraw/zinc/22/00/02/1201220002.db2.gz JHXFHOHPSKNAGJ-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113921097 1201220003 /nfs/dbraw/zinc/22/00/03/1201220003.db2.gz JHXFHOHPSKNAGJ-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113921097 1201220005 /nfs/dbraw/zinc/22/00/05/1201220005.db2.gz JHXFHOHPSKNAGJ-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000793707141 1201259350 /nfs/dbraw/zinc/25/93/50/1201259350.db2.gz IONAOYVIJYFMNF-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000793707141 1201259353 /nfs/dbraw/zinc/25/93/53/1201259353.db2.gz IONAOYVIJYFMNF-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129396473 1201295119 /nfs/dbraw/zinc/29/51/19/1201295119.db2.gz DZTIMNWIGVZZTH-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129396473 1201295123 /nfs/dbraw/zinc/29/51/23/1201295123.db2.gz DZTIMNWIGVZZTH-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407181 1201296883 /nfs/dbraw/zinc/29/68/83/1201296883.db2.gz HUNXXQUZPLAMLB-CVEARBPZSA-N 2 2 361.450 0.319 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129407181 1201296885 /nfs/dbraw/zinc/29/68/85/1201296885.db2.gz HUNXXQUZPLAMLB-CVEARBPZSA-N 2 2 361.450 0.319 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459987 1201325693 /nfs/dbraw/zinc/32/56/93/1201325693.db2.gz FVJDFLFEDRJZJH-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459987 1201325699 /nfs/dbraw/zinc/32/56/99/1201325699.db2.gz FVJDFLFEDRJZJH-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459987 1201325700 /nfs/dbraw/zinc/32/57/00/1201325700.db2.gz FVJDFLFEDRJZJH-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459987 1201325702 /nfs/dbraw/zinc/32/57/02/1201325702.db2.gz FVJDFLFEDRJZJH-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484959 1201331729 /nfs/dbraw/zinc/33/17/29/1201331729.db2.gz RIIJJPPCUGRWNX-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484959 1201331732 /nfs/dbraw/zinc/33/17/32/1201331732.db2.gz RIIJJPPCUGRWNX-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892817 1201416856 /nfs/dbraw/zinc/41/68/56/1201416856.db2.gz BQHLSEXPYDNWOT-FVQBIDKESA-N 2 2 362.405 0.798 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892817 1201416867 /nfs/dbraw/zinc/41/68/67/1201416867.db2.gz BQHLSEXPYDNWOT-FVQBIDKESA-N 2 2 362.405 0.798 20 0 FCADLP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941358 1201439814 /nfs/dbraw/zinc/43/98/14/1201439814.db2.gz XASTXIKUIODPBQ-KFWWJZLASA-N 2 2 363.441 0.734 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952057 1201447438 /nfs/dbraw/zinc/44/74/38/1201447438.db2.gz GHRMDNYOEGPWED-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130034098 1201482230 /nfs/dbraw/zinc/48/22/30/1201482230.db2.gz KCMWXFSHWWHQIV-IMJJTQAJSA-N 2 2 361.450 0.258 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130034098 1201482235 /nfs/dbraw/zinc/48/22/35/1201482235.db2.gz KCMWXFSHWWHQIV-IMJJTQAJSA-N 2 2 361.450 0.258 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2nocc2C)[C@@H](n2ccnn2)C1 ZINC001130074696 1201494957 /nfs/dbraw/zinc/49/49/57/1201494957.db2.gz FJSLHFXRJWDIMP-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2nocc2C)[C@@H](n2ccnn2)C1 ZINC001130074696 1201494959 /nfs/dbraw/zinc/49/49/59/1201494959.db2.gz FJSLHFXRJWDIMP-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)Cc1ccccc1 ZINC001130153172 1201518164 /nfs/dbraw/zinc/51/81/64/1201518164.db2.gz BVZUGBOPLQUTKN-SJORKVTESA-N 2 2 360.437 0.721 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)Cc1ccccc1 ZINC001130153172 1201518167 /nfs/dbraw/zinc/51/81/67/1201518167.db2.gz BVZUGBOPLQUTKN-SJORKVTESA-N 2 2 360.437 0.721 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158621 1201519309 /nfs/dbraw/zinc/51/93/09/1201519309.db2.gz OHDWTNXOKNBWGC-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158622 1201519368 /nfs/dbraw/zinc/51/93/68/1201519368.db2.gz OHDWTNXOKNBWGC-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001219908638 1224679005 /nfs/dbraw/zinc/67/90/05/1224679005.db2.gz MXMYGQDGFSPCLQ-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001219908638 1224679007 /nfs/dbraw/zinc/67/90/07/1224679007.db2.gz MXMYGQDGFSPCLQ-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219920034 1224681210 /nfs/dbraw/zinc/68/12/10/1224681210.db2.gz YGMSMGDFWKIKKI-CVEARBPZSA-N 2 2 359.430 0.566 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219920034 1224681214 /nfs/dbraw/zinc/68/12/14/1224681214.db2.gz YGMSMGDFWKIKKI-CVEARBPZSA-N 2 2 359.430 0.566 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130232740 1201558365 /nfs/dbraw/zinc/55/83/65/1201558365.db2.gz QELZPHJXWDVZQT-OFQRWUPVSA-N 2 2 366.510 0.878 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)C2(CC3=O)CC[NH2+]CC2)C[NH2+]1 ZINC001219968149 1224705447 /nfs/dbraw/zinc/70/54/47/1224705447.db2.gz XEYIKUCJFZDMIT-CJNGLKHVSA-N 2 2 371.437 0.528 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220011328 1224726981 /nfs/dbraw/zinc/72/69/81/1224726981.db2.gz QULYJQZAMFRKLS-MSOLQXFVSA-N 2 2 358.442 0.570 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220011328 1224726984 /nfs/dbraw/zinc/72/69/84/1224726984.db2.gz QULYJQZAMFRKLS-MSOLQXFVSA-N 2 2 358.442 0.570 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017333 1224729035 /nfs/dbraw/zinc/72/90/35/1224729035.db2.gz ANJNEJJDEXVYPA-AEFFLSMTSA-N 2 2 364.490 0.738 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017333 1224729039 /nfs/dbraw/zinc/72/90/39/1224729039.db2.gz ANJNEJJDEXVYPA-AEFFLSMTSA-N 2 2 364.490 0.738 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130574453 1202721160 /nfs/dbraw/zinc/72/11/60/1202721160.db2.gz VYBHABKKVBLJKM-IJEWVQPXSA-N 2 2 360.462 0.695 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698980 1202757905 /nfs/dbraw/zinc/75/79/05/1202757905.db2.gz XGQDBHGDLYECGJ-GOEBONIOSA-N 2 2 360.462 0.697 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130719487 1202766133 /nfs/dbraw/zinc/76/61/33/1202766133.db2.gz UFXPYXXIUWUOAD-DOTOQJQBSA-N 2 2 360.462 0.834 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130719487 1202766134 /nfs/dbraw/zinc/76/61/34/1202766134.db2.gz UFXPYXXIUWUOAD-DOTOQJQBSA-N 2 2 360.462 0.834 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739841 1202771448 /nfs/dbraw/zinc/77/14/48/1202771448.db2.gz QLFHRGXQHHKIIN-DOTOQJQBSA-N 2 2 360.462 0.626 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772520 1202788220 /nfs/dbraw/zinc/78/82/20/1202788220.db2.gz QATCXTUEMRDBFL-RRFJBIMHSA-N 2 2 364.494 0.981 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001130772520 1202788223 /nfs/dbraw/zinc/78/82/23/1202788223.db2.gz QATCXTUEMRDBFL-RRFJBIMHSA-N 2 2 364.494 0.981 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130790091 1202798822 /nfs/dbraw/zinc/79/88/22/1202798822.db2.gz HEBOPPNSBVGCHD-QWHCGFSZSA-N 2 2 370.473 0.930 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130790091 1202798826 /nfs/dbraw/zinc/79/88/26/1202798826.db2.gz HEBOPPNSBVGCHD-QWHCGFSZSA-N 2 2 370.473 0.930 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074173 1224746252 /nfs/dbraw/zinc/74/62/52/1224746252.db2.gz YQQDTKNIMHMEPA-UAGQMJEPSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074173 1224746255 /nfs/dbraw/zinc/74/62/55/1224746255.db2.gz YQQDTKNIMHMEPA-UAGQMJEPSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074173 1224746261 /nfs/dbraw/zinc/74/62/61/1224746261.db2.gz YQQDTKNIMHMEPA-UAGQMJEPSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074173 1224746263 /nfs/dbraw/zinc/74/62/63/1224746263.db2.gz YQQDTKNIMHMEPA-UAGQMJEPSA-N 2 2 368.522 0.279 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074145 1224746657 /nfs/dbraw/zinc/74/66/57/1224746657.db2.gz YFAQNUWHBFKRTJ-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074145 1224746663 /nfs/dbraw/zinc/74/66/63/1224746663.db2.gz YFAQNUWHBFKRTJ-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074145 1224746667 /nfs/dbraw/zinc/74/66/67/1224746667.db2.gz YFAQNUWHBFKRTJ-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074145 1224746670 /nfs/dbraw/zinc/74/66/70/1224746670.db2.gz YFAQNUWHBFKRTJ-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074145 1224746676 /nfs/dbraw/zinc/74/66/76/1224746676.db2.gz YFAQNUWHBFKRTJ-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074145 1224746682 /nfs/dbraw/zinc/74/66/82/1224746682.db2.gz YFAQNUWHBFKRTJ-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3c[nH+]cn3C)n2)O1 ZINC001130817202 1202807756 /nfs/dbraw/zinc/80/77/56/1202807756.db2.gz FROXUQZENGFSTA-UONOGXRCSA-N 2 2 361.450 0.617 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130973070 1202832559 /nfs/dbraw/zinc/83/25/59/1202832559.db2.gz OOUZJQBESIRHIS-RRFJBIMHSA-N 2 2 360.462 0.695 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038275 1202849713 /nfs/dbraw/zinc/84/97/13/1202849713.db2.gz IRBAMECVUIPGTD-BZUAXINKSA-N 2 2 360.462 0.626 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001131101093 1202862905 /nfs/dbraw/zinc/86/29/05/1202862905.db2.gz MFBLCFYQHHBNAG-HZPDHXFCSA-N 2 2 371.489 0.636 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001131101093 1202862906 /nfs/dbraw/zinc/86/29/06/1202862906.db2.gz MFBLCFYQHHBNAG-HZPDHXFCSA-N 2 2 371.489 0.636 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117660 1202864860 /nfs/dbraw/zinc/86/48/60/1202864860.db2.gz KNBXLNOAZSDAQH-GDBMZVCRSA-N 2 2 360.462 0.615 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001086664746 1202886649 /nfs/dbraw/zinc/88/66/49/1202886649.db2.gz CFCHSDAUDMVJFW-RRFJBIMHSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001086664746 1202886652 /nfs/dbraw/zinc/88/66/52/1202886652.db2.gz CFCHSDAUDMVJFW-RRFJBIMHSA-N 2 2 364.494 0.633 20 0 FCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000813324183 1202992667 /nfs/dbraw/zinc/99/26/67/1202992667.db2.gz HDJSVSRSGDGKIR-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000813324182 1202992821 /nfs/dbraw/zinc/99/28/21/1202992821.db2.gz HDJSVSRSGDGKIR-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP Cc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001134042636 1203010875 /nfs/dbraw/zinc/01/08/75/1203010875.db2.gz JTKKKIOPZKTOKC-IAGOWNOFSA-N 2 2 369.469 0.854 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045732 1203011367 /nfs/dbraw/zinc/01/13/67/1203011367.db2.gz OGXNEVYPCCYGPE-RRFJBIMHSA-N 2 2 365.478 0.161 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220105550 1224764287 /nfs/dbraw/zinc/76/42/87/1224764287.db2.gz AJWBFMRNMLONRG-SJORKVTESA-N 2 2 362.405 0.653 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001220105550 1224764295 /nfs/dbraw/zinc/76/42/95/1224764295.db2.gz AJWBFMRNMLONRG-SJORKVTESA-N 2 2 362.405 0.653 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001220102398 1224761977 /nfs/dbraw/zinc/76/19/77/1224761977.db2.gz VFMCEXOCKZSUPJ-MSOLQXFVSA-N 2 2 358.442 0.781 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001220102398 1224761980 /nfs/dbraw/zinc/76/19/80/1224761980.db2.gz VFMCEXOCKZSUPJ-MSOLQXFVSA-N 2 2 358.442 0.781 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1)N1CCC1 ZINC001086737754 1203062467 /nfs/dbraw/zinc/06/24/67/1203062467.db2.gz WDCBVGSWRUUDQE-ARFHVFGLSA-N 2 2 359.474 0.552 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737454 1203063474 /nfs/dbraw/zinc/06/34/74/1203063474.db2.gz KDPLZCMIEARQKN-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220105551 1224763875 /nfs/dbraw/zinc/76/38/75/1224763875.db2.gz AKBVASZRWTVWPF-MOPGFXCFSA-N 2 2 370.453 0.707 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001220105551 1224763881 /nfs/dbraw/zinc/76/38/81/1224763881.db2.gz AKBVASZRWTVWPF-MOPGFXCFSA-N 2 2 370.453 0.707 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1)N1CCC1 ZINC001086799875 1203099875 /nfs/dbraw/zinc/09/98/75/1203099875.db2.gz JVPCDALDPQBZFA-ZNMIVQPWSA-N 2 2 359.474 0.936 20 0 FCADLP COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136737321 1203260809 /nfs/dbraw/zinc/26/08/09/1203260809.db2.gz DJMMIKYVCFWNMV-GFCCVEGCSA-N 2 2 365.434 0.137 20 0 FCADLP COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136737321 1203260814 /nfs/dbraw/zinc/26/08/14/1203260814.db2.gz DJMMIKYVCFWNMV-GFCCVEGCSA-N 2 2 365.434 0.137 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1C ZINC001110107481 1203278929 /nfs/dbraw/zinc/27/89/29/1203278929.db2.gz JXLJJEKPSAHZDS-JHNDHUHGSA-N 2 2 362.478 0.005 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1C ZINC001110107481 1203278932 /nfs/dbraw/zinc/27/89/32/1203278932.db2.gz JXLJJEKPSAHZDS-JHNDHUHGSA-N 2 2 362.478 0.005 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]C[C@H](C)O)cc1 ZINC001090881274 1203328975 /nfs/dbraw/zinc/32/89/75/1203328975.db2.gz DBJWFGCYVWGDBP-DOPJRALCSA-N 2 2 358.442 0.926 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2[NH2+]CCO)cc1 ZINC001090884223 1203330929 /nfs/dbraw/zinc/33/09/29/1203330929.db2.gz FFHZBHWWBUMMCK-ZWKOTPCHSA-N 2 2 358.442 0.548 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+][C@H](C)C(N)=O)cc1 ZINC001090888375 1203332924 /nfs/dbraw/zinc/33/29/24/1203332924.db2.gz LYFMZBBEAILEBS-XOKHGSTOSA-N 2 2 371.441 0.350 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)nc(C)[nH+]1 ZINC001090901227 1203340162 /nfs/dbraw/zinc/34/01/62/1203340162.db2.gz VNRUDWQEYBJMGU-HZPDHXFCSA-N 2 2 365.478 0.245 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229213 1224810432 /nfs/dbraw/zinc/81/04/32/1224810432.db2.gz SGKATVOIGZHPNU-XHSDSOJGSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229213 1224810433 /nfs/dbraw/zinc/81/04/33/1224810433.db2.gz SGKATVOIGZHPNU-XHSDSOJGSA-N 2 2 368.522 0.040 20 0 FCADLP CCOC(=O)CC[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(=O)OCC ZINC001220231183 1224810985 /nfs/dbraw/zinc/81/09/85/1224810985.db2.gz XQUSLBUILWPODJ-GJZGRUSLSA-N 2 2 365.430 0.650 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220233773 1224811810 /nfs/dbraw/zinc/81/18/10/1224811810.db2.gz GNHFSGQDALDUTK-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220233773 1224811812 /nfs/dbraw/zinc/81/18/12/1224811812.db2.gz GNHFSGQDALDUTK-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220237773 1224812456 /nfs/dbraw/zinc/81/24/56/1224812456.db2.gz DTNMUEWLHTZSQQ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220237773 1224812460 /nfs/dbraw/zinc/81/24/60/1224812460.db2.gz DTNMUEWLHTZSQQ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273152 1224818330 /nfs/dbraw/zinc/81/83/30/1224818330.db2.gz DEPWACQXPBKWBW-OIISXLGYSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273152 1224818331 /nfs/dbraw/zinc/81/83/31/1224818331.db2.gz DEPWACQXPBKWBW-OIISXLGYSA-N 2 2 368.522 0.279 20 0 FCADLP COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220296611 1224822969 /nfs/dbraw/zinc/82/29/69/1224822969.db2.gz TVWMVNPGBLMWFK-GOSISDBHSA-N 2 2 358.442 0.839 20 0 FCADLP CN(C[C@](C)(O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000844277108 1204388153 /nfs/dbraw/zinc/38/81/53/1204388153.db2.gz YRFCNLQTKFGIEH-SFHVURJKSA-N 2 2 372.510 0.310 20 0 FCADLP COC/C(C)=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000845450148 1204501572 /nfs/dbraw/zinc/50/15/72/1204501572.db2.gz VWKKTQVYYKSWHG-SSZFMOIBSA-N 2 2 366.506 0.276 20 0 FCADLP CCCc1noc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097043 1204514604 /nfs/dbraw/zinc/51/46/04/1204514604.db2.gz HSJHSRASSRWIKO-XSCHDIRWSA-N 2 2 365.478 0.726 20 0 FCADLP CCCc1noc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097043 1204514610 /nfs/dbraw/zinc/51/46/10/1204514610.db2.gz HSJHSRASSRWIKO-XSCHDIRWSA-N 2 2 365.478 0.726 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1O ZINC001091135944 1204536263 /nfs/dbraw/zinc/53/62/63/1204536263.db2.gz KHWWYUZRRBMHSK-SJORKVTESA-N 2 2 361.490 0.671 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1O ZINC001091135944 1204536267 /nfs/dbraw/zinc/53/62/67/1204536267.db2.gz KHWWYUZRRBMHSK-SJORKVTESA-N 2 2 361.490 0.671 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220344825 1224836783 /nfs/dbraw/zinc/83/67/83/1224836783.db2.gz JMHMXIACKIUADK-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220344825 1224836785 /nfs/dbraw/zinc/83/67/85/1224836785.db2.gz JMHMXIACKIUADK-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355286 1224840161 /nfs/dbraw/zinc/84/01/61/1224840161.db2.gz KWRTUYPKIXYJFM-NXHRZFHOSA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355286 1224840164 /nfs/dbraw/zinc/84/01/64/1224840164.db2.gz KWRTUYPKIXYJFM-NXHRZFHOSA-N 2 2 364.490 0.732 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358663 1224842560 /nfs/dbraw/zinc/84/25/60/1224842560.db2.gz WBRSVJMGMSSQKY-LTIDMASMSA-N 3 2 360.458 0.251 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC001144943010 1204664427 /nfs/dbraw/zinc/66/44/27/1204664427.db2.gz DSZVLNWUNNIQBE-SJORKVTESA-N 2 2 374.441 0.589 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835267 1204669930 /nfs/dbraw/zinc/66/99/30/1204669930.db2.gz JWNIRULVALHTTM-CQSZACIVSA-N 2 2 363.462 0.947 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835267 1204669931 /nfs/dbraw/zinc/66/99/31/1204669931.db2.gz JWNIRULVALHTTM-CQSZACIVSA-N 2 2 363.462 0.947 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)ccn1 ZINC001220359439 1224843365 /nfs/dbraw/zinc/84/33/65/1224843365.db2.gz MPANBTIUSKGODY-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)ccn1 ZINC001220359439 1224843371 /nfs/dbraw/zinc/84/33/71/1224843371.db2.gz MPANBTIUSKGODY-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)ccn1 ZINC001220359439 1224843374 /nfs/dbraw/zinc/84/33/74/1224843374.db2.gz MPANBTIUSKGODY-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)ccn1 ZINC001220359439 1224843377 /nfs/dbraw/zinc/84/33/77/1224843377.db2.gz MPANBTIUSKGODY-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929790 1204674131 /nfs/dbraw/zinc/67/41/31/1204674131.db2.gz ZWLKAWTWNUISDI-FGTMMUONSA-N 2 2 366.458 0.520 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929790 1204674136 /nfs/dbraw/zinc/67/41/36/1204674136.db2.gz ZWLKAWTWNUISDI-FGTMMUONSA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929790 1204674141 /nfs/dbraw/zinc/67/41/41/1204674141.db2.gz ZWLKAWTWNUISDI-FGTMMUONSA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929790 1204674147 /nfs/dbraw/zinc/67/41/47/1204674147.db2.gz ZWLKAWTWNUISDI-FGTMMUONSA-N 2 2 366.458 0.520 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565273 1204726339 /nfs/dbraw/zinc/72/63/39/1204726339.db2.gz JJIFWZQTITYSOT-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565273 1204726343 /nfs/dbraw/zinc/72/63/43/1204726343.db2.gz JJIFWZQTITYSOT-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565273 1204726348 /nfs/dbraw/zinc/72/63/48/1204726348.db2.gz JJIFWZQTITYSOT-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565273 1204726356 /nfs/dbraw/zinc/72/63/56/1204726356.db2.gz JJIFWZQTITYSOT-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O)[NH+](C)C ZINC001220380026 1224849862 /nfs/dbraw/zinc/84/98/62/1224849862.db2.gz NHUUJNJYNNHYQR-PMPSAXMXSA-N 2 2 363.458 0.459 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O)[NH+](C)C ZINC001220380026 1224849864 /nfs/dbraw/zinc/84/98/64/1224849864.db2.gz NHUUJNJYNNHYQR-PMPSAXMXSA-N 2 2 363.458 0.459 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677258 1204817730 /nfs/dbraw/zinc/81/77/30/1204817730.db2.gz OKLREBIHVYMPNG-GJYPPUQNSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677258 1204817731 /nfs/dbraw/zinc/81/77/31/1204817731.db2.gz OKLREBIHVYMPNG-GJYPPUQNSA-N 2 2 358.490 0.437 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001091737715 1204837815 /nfs/dbraw/zinc/83/78/15/1204837815.db2.gz IIGRBPJXNKZKKM-SUMDDJOVSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001091737715 1204837817 /nfs/dbraw/zinc/83/78/17/1204837817.db2.gz IIGRBPJXNKZKKM-SUMDDJOVSA-N 2 2 360.506 0.919 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001086851752 1204848114 /nfs/dbraw/zinc/84/81/14/1204848114.db2.gz UZQZAWHTFXPDCD-VBQJREDUSA-N 2 2 368.441 0.644 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC001086979459 1204877806 /nfs/dbraw/zinc/87/78/06/1204877806.db2.gz AHKDTUBLRUHAGB-VDNDLQMASA-N 2 2 373.461 0.228 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC001086979459 1204877809 /nfs/dbraw/zinc/87/78/09/1204877809.db2.gz AHKDTUBLRUHAGB-VDNDLQMASA-N 2 2 373.461 0.228 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001086997291 1204887702 /nfs/dbraw/zinc/88/77/02/1204887702.db2.gz XCFAYMKKVDYQHN-XHSDSOJGSA-N 2 2 361.450 0.228 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001087012159 1204898551 /nfs/dbraw/zinc/89/85/51/1204898551.db2.gz IMYWESPMGKMQEU-DLBZAZTESA-N 2 2 368.445 0.135 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001087012267 1204898973 /nfs/dbraw/zinc/89/89/73/1204898973.db2.gz ODQNJFKMKXJWCA-ZWKOTPCHSA-N 2 2 365.441 0.796 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001087088052 1204977400 /nfs/dbraw/zinc/97/74/00/1204977400.db2.gz IFKDBUCVMUAEIU-NJZAAPMLSA-N 2 2 361.450 0.593 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091795023 1205014964 /nfs/dbraw/zinc/01/49/64/1205014964.db2.gz HJPBWVBBQZILKF-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091795023 1205014968 /nfs/dbraw/zinc/01/49/68/1205014968.db2.gz HJPBWVBBQZILKF-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091780145 1205026443 /nfs/dbraw/zinc/02/64/43/1205026443.db2.gz WYGNLSITKULELU-KHYOSLBOSA-N 2 2 361.490 0.841 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091780145 1205026447 /nfs/dbraw/zinc/02/64/47/1205026447.db2.gz WYGNLSITKULELU-KHYOSLBOSA-N 2 2 361.490 0.841 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@]3(C)C2)C1=O ZINC001091848823 1205036506 /nfs/dbraw/zinc/03/65/06/1205036506.db2.gz LFZKUYOJMKTEAX-SIFCLUCFSA-N 2 2 367.453 0.959 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@]3(C)C2)C1=O ZINC001091848823 1205036509 /nfs/dbraw/zinc/03/65/09/1205036509.db2.gz LFZKUYOJMKTEAX-SIFCLUCFSA-N 2 2 367.453 0.959 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001091875451 1205061618 /nfs/dbraw/zinc/06/16/18/1205061618.db2.gz HNLVKCGVUGKSGC-VCBZYWHSSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001091875451 1205061623 /nfs/dbraw/zinc/06/16/23/1205061623.db2.gz HNLVKCGVUGKSGC-VCBZYWHSSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001091898279 1205076578 /nfs/dbraw/zinc/07/65/78/1205076578.db2.gz MQNFTFUFFVSENK-MJGOQNOKSA-N 2 2 371.489 0.962 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001091898279 1205076584 /nfs/dbraw/zinc/07/65/84/1205076584.db2.gz MQNFTFUFFVSENK-MJGOQNOKSA-N 2 2 371.489 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092026300 1205122147 /nfs/dbraw/zinc/12/21/47/1205122147.db2.gz IWUFENYBHUYOCU-CQNRTFJUSA-N 2 2 371.485 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092026300 1205122148 /nfs/dbraw/zinc/12/21/48/1205122148.db2.gz IWUFENYBHUYOCU-CQNRTFJUSA-N 2 2 371.485 0.583 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092050331 1205125736 /nfs/dbraw/zinc/12/57/36/1205125736.db2.gz RBSCJWXOBHLVNY-XUWXXGDYSA-N 2 2 355.446 0.512 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092050331 1205125738 /nfs/dbraw/zinc/12/57/38/1205125738.db2.gz RBSCJWXOBHLVNY-XUWXXGDYSA-N 2 2 355.446 0.512 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092057305 1205127779 /nfs/dbraw/zinc/12/77/79/1205127779.db2.gz PLRSKIJZUQAXGZ-FCEWJHQRSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092057305 1205127784 /nfs/dbraw/zinc/12/77/84/1205127784.db2.gz PLRSKIJZUQAXGZ-FCEWJHQRSA-N 2 2 359.474 0.847 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092199724 1205195056 /nfs/dbraw/zinc/19/50/56/1205195056.db2.gz NMUSSIGAMOKIHW-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092199724 1205195062 /nfs/dbraw/zinc/19/50/62/1205195062.db2.gz NMUSSIGAMOKIHW-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199982 1205196620 /nfs/dbraw/zinc/19/66/20/1205196620.db2.gz ZIRZMUAIOXKHIE-KSMMKXTCSA-N 2 2 359.474 0.410 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199982 1205196627 /nfs/dbraw/zinc/19/66/27/1205196627.db2.gz ZIRZMUAIOXKHIE-KSMMKXTCSA-N 2 2 359.474 0.410 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273831 1205221513 /nfs/dbraw/zinc/22/15/13/1205221513.db2.gz SYRBLRXUFBXXIE-IYOUNJFTSA-N 2 2 359.478 0.240 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273831 1205221516 /nfs/dbraw/zinc/22/15/16/1205221516.db2.gz SYRBLRXUFBXXIE-IYOUNJFTSA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273831 1205221519 /nfs/dbraw/zinc/22/15/19/1205221519.db2.gz SYRBLRXUFBXXIE-IYOUNJFTSA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273831 1205221521 /nfs/dbraw/zinc/22/15/21/1205221521.db2.gz SYRBLRXUFBXXIE-IYOUNJFTSA-N 2 2 359.478 0.240 20 0 FCADLP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC001092275530 1205222584 /nfs/dbraw/zinc/22/25/84/1205222584.db2.gz HKQCVCYNBREDRZ-KDOFPFPSSA-N 2 2 359.478 0.384 20 0 FCADLP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC001092275530 1205222591 /nfs/dbraw/zinc/22/25/91/1205222591.db2.gz HKQCVCYNBREDRZ-KDOFPFPSSA-N 2 2 359.478 0.384 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001092276215 1205223287 /nfs/dbraw/zinc/22/32/87/1205223287.db2.gz HATSPYDFTDSBFC-RKVPGOIHSA-N 2 2 363.462 0.318 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001092276215 1205223294 /nfs/dbraw/zinc/22/32/94/1205223294.db2.gz HATSPYDFTDSBFC-RKVPGOIHSA-N 2 2 363.462 0.318 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275971 1205223320 /nfs/dbraw/zinc/22/33/20/1205223320.db2.gz YYQBUXPOVJKAKC-KDOFPFPSSA-N 2 2 363.462 0.592 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275971 1205223327 /nfs/dbraw/zinc/22/33/27/1205223327.db2.gz YYQBUXPOVJKAKC-KDOFPFPSSA-N 2 2 363.462 0.592 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](Cc1cccc(C(N)=O)c1)C2 ZINC001092319563 1205247278 /nfs/dbraw/zinc/24/72/78/1205247278.db2.gz QUBRXZHILLXANU-XLIONFOSSA-N 2 2 367.453 0.963 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](Cc1cccc(C(N)=O)c1)C2 ZINC001092319563 1205247280 /nfs/dbraw/zinc/24/72/80/1205247280.db2.gz QUBRXZHILLXANU-XLIONFOSSA-N 2 2 367.453 0.963 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291987 1205255807 /nfs/dbraw/zinc/25/58/07/1205255807.db2.gz MNBQCSITXVQVAZ-MDZRGWNJSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291987 1205255810 /nfs/dbraw/zinc/25/58/10/1205255810.db2.gz MNBQCSITXVQVAZ-MDZRGWNJSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291987 1205255816 /nfs/dbraw/zinc/25/58/16/1205255816.db2.gz MNBQCSITXVQVAZ-MDZRGWNJSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291987 1205255820 /nfs/dbraw/zinc/25/58/20/1205255820.db2.gz MNBQCSITXVQVAZ-MDZRGWNJSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292028 1205255848 /nfs/dbraw/zinc/25/58/48/1205255848.db2.gz OEADPEXRIOJZFX-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292028 1205255850 /nfs/dbraw/zinc/25/58/50/1205255850.db2.gz OEADPEXRIOJZFX-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292028 1205255853 /nfs/dbraw/zinc/25/58/53/1205255853.db2.gz OEADPEXRIOJZFX-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292028 1205255858 /nfs/dbraw/zinc/25/58/58/1205255858.db2.gz OEADPEXRIOJZFX-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753642 1205351798 /nfs/dbraw/zinc/35/17/98/1205351798.db2.gz PSIBQQXWOHPWFG-ZIAGYGMSSA-N 2 2 363.462 0.266 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753642 1205351803 /nfs/dbraw/zinc/35/18/03/1205351803.db2.gz PSIBQQXWOHPWFG-ZIAGYGMSSA-N 2 2 363.462 0.266 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478894 1224886507 /nfs/dbraw/zinc/88/65/07/1224886507.db2.gz OYGCQIKPQOBNEH-UAGQMJEPSA-N 2 2 368.522 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478894 1224886511 /nfs/dbraw/zinc/88/65/11/1224886511.db2.gz OYGCQIKPQOBNEH-UAGQMJEPSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)(C)C(=O)N1CCC(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)CC1 ZINC001220494271 1224892079 /nfs/dbraw/zinc/89/20/79/1224892079.db2.gz IKPKVVWGNBTCIT-INIZCTEOSA-N 2 2 367.538 0.138 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001092994547 1205975962 /nfs/dbraw/zinc/97/59/62/1205975962.db2.gz QGEAKLNBIDBFHM-YUELXQCFSA-N 2 2 373.461 0.167 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102470 1206018009 /nfs/dbraw/zinc/01/80/09/1206018009.db2.gz GAPYBLFREVKCCZ-MGPQQGTHSA-N 2 2 356.430 0.439 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102470 1206018012 /nfs/dbraw/zinc/01/80/12/1206018012.db2.gz GAPYBLFREVKCCZ-MGPQQGTHSA-N 2 2 356.430 0.439 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132829 1206033113 /nfs/dbraw/zinc/03/31/13/1206033113.db2.gz AZYOQRWFABTBRN-ZIAGYGMSSA-N 2 2 359.478 0.288 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132829 1206033117 /nfs/dbraw/zinc/03/31/17/1206033117.db2.gz AZYOQRWFABTBRN-ZIAGYGMSSA-N 2 2 359.478 0.288 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O ZINC001093288618 1206073457 /nfs/dbraw/zinc/07/34/57/1206073457.db2.gz KROPVZUGXDEUQK-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001093288627 1206073489 /nfs/dbraw/zinc/07/34/89/1206073489.db2.gz KVLMAZLREXOARN-MRVWCRGKSA-N 2 2 361.446 0.140 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690762 1206101071 /nfs/dbraw/zinc/10/10/71/1206101071.db2.gz DYFIMUJZPPYWGA-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690762 1206101073 /nfs/dbraw/zinc/10/10/73/1206101073.db2.gz DYFIMUJZPPYWGA-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690701 1206101246 /nfs/dbraw/zinc/10/12/46/1206101246.db2.gz CCDYOCMAXYJQFN-OAGGEKHMSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690701 1206101251 /nfs/dbraw/zinc/10/12/51/1206101251.db2.gz CCDYOCMAXYJQFN-OAGGEKHMSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001093742557 1206114047 /nfs/dbraw/zinc/11/40/47/1206114047.db2.gz BUULFYGLZVBJQO-ZIAGYGMSSA-N 2 2 360.466 0.794 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093742918 1206114842 /nfs/dbraw/zinc/11/48/42/1206114842.db2.gz PARZKWIKLYUPSX-ZIAGYGMSSA-N 2 2 363.441 0.788 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C2)c[nH+]1 ZINC001093856793 1206132499 /nfs/dbraw/zinc/13/24/99/1206132499.db2.gz FIXRNKBMQQAFKP-UKRRQHHQSA-N 2 2 359.478 0.939 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C)nn1 ZINC001093874022 1206140076 /nfs/dbraw/zinc/14/00/76/1206140076.db2.gz VPIHZPPHSOJKKK-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093874252 1206140260 /nfs/dbraw/zinc/14/02/60/1206140260.db2.gz ZGDDJZGAGXMJBB-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093934249 1206162077 /nfs/dbraw/zinc/16/20/77/1206162077.db2.gz IWIAPBCJRNDSGM-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094034395 1206173121 /nfs/dbraw/zinc/17/31/21/1206173121.db2.gz MMNTZHDHEQLIPY-MCIONIFRSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001094074975 1206179568 /nfs/dbraw/zinc/17/95/68/1206179568.db2.gz RFOVERQTXCNRQF-CKEIUWERSA-N 2 2 359.474 0.790 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001094167082 1206198424 /nfs/dbraw/zinc/19/84/24/1206198424.db2.gz VVTPEDWBTSIKRF-UKRRQHHQSA-N 2 2 359.478 0.767 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001094196829 1206206315 /nfs/dbraw/zinc/20/63/15/1206206315.db2.gz SITSYPKAEFOWQO-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001094234066 1206208793 /nfs/dbraw/zinc/20/87/93/1206208793.db2.gz IRLSNXWLBIKLPC-QGPMSJSTSA-N 2 2 362.474 0.970 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094224663 1206211373 /nfs/dbraw/zinc/21/13/73/1206211373.db2.gz WXBYYHJPVMGPAY-IIAWOOMASA-N 2 2 365.478 0.530 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384751 1206222951 /nfs/dbraw/zinc/22/29/51/1206222951.db2.gz HUHOFKDZXAFUIL-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384751 1206222952 /nfs/dbraw/zinc/22/29/52/1206222952.db2.gz HUHOFKDZXAFUIL-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384751 1206222953 /nfs/dbraw/zinc/22/29/53/1206222953.db2.gz HUHOFKDZXAFUIL-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384751 1206222954 /nfs/dbraw/zinc/22/29/54/1206222954.db2.gz HUHOFKDZXAFUIL-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094451262 1206227838 /nfs/dbraw/zinc/22/78/38/1206227838.db2.gz USHLCRNRORDPAY-QMTMVMCOSA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094451262 1206227840 /nfs/dbraw/zinc/22/78/40/1206227840.db2.gz USHLCRNRORDPAY-QMTMVMCOSA-N 2 2 359.474 0.552 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450581 1206228247 /nfs/dbraw/zinc/22/82/47/1206228247.db2.gz VGCLPVKLMXVVRJ-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450581 1206228248 /nfs/dbraw/zinc/22/82/48/1206228248.db2.gz VGCLPVKLMXVVRJ-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450581 1206228250 /nfs/dbraw/zinc/22/82/50/1206228250.db2.gz VGCLPVKLMXVVRJ-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450581 1206228251 /nfs/dbraw/zinc/22/82/51/1206228251.db2.gz VGCLPVKLMXVVRJ-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001110161420 1206243629 /nfs/dbraw/zinc/24/36/29/1206243629.db2.gz DVLMZUFGUVNINS-SQNIBIBYSA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001110161420 1206243634 /nfs/dbraw/zinc/24/36/34/1206243634.db2.gz DVLMZUFGUVNINS-SQNIBIBYSA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001110161420 1206243638 /nfs/dbraw/zinc/24/36/38/1206243638.db2.gz DVLMZUFGUVNINS-SQNIBIBYSA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001110161420 1206243644 /nfs/dbraw/zinc/24/36/44/1206243644.db2.gz DVLMZUFGUVNINS-SQNIBIBYSA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094750158 1206245598 /nfs/dbraw/zinc/24/55/98/1206245598.db2.gz XHJFKINSSJBVTB-HLLBOEOZSA-N 2 2 364.490 0.073 20 0 FCADLP CC(C)=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094750158 1206245604 /nfs/dbraw/zinc/24/56/04/1206245604.db2.gz XHJFKINSSJBVTB-HLLBOEOZSA-N 2 2 364.490 0.073 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1 ZINC001094782564 1206247065 /nfs/dbraw/zinc/24/70/65/1206247065.db2.gz BQHXVJULBVJESC-USXIJHARSA-N 2 2 371.485 0.725 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1=O ZINC001172041732 1206256109 /nfs/dbraw/zinc/25/61/09/1206256109.db2.gz UGBGOGFMPHYCIU-KRWDZBQOSA-N 2 2 360.506 0.457 20 0 FCADLP CCN1CC[C@H]([N@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1=O ZINC001172041732 1206256113 /nfs/dbraw/zinc/25/61/13/1206256113.db2.gz UGBGOGFMPHYCIU-KRWDZBQOSA-N 2 2 360.506 0.457 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O)C(C)C ZINC001220572612 1224940936 /nfs/dbraw/zinc/94/09/36/1224940936.db2.gz CRRZGHFYWAKBFO-SOLBZPMBSA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O)C(C)C ZINC001220572612 1224940942 /nfs/dbraw/zinc/94/09/42/1224940942.db2.gz CRRZGHFYWAKBFO-SOLBZPMBSA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)C(C)C ZINC001220573072 1224942149 /nfs/dbraw/zinc/94/21/49/1224942149.db2.gz PCYWMAJTXQWASJ-HLLBOEOZSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)C(C)C ZINC001220573072 1224942157 /nfs/dbraw/zinc/94/21/57/1224942157.db2.gz PCYWMAJTXQWASJ-HLLBOEOZSA-N 2 2 370.538 0.429 20 0 FCADLP C[NH+]1CCN(c2cc(Nc3cnc(N4CC[NH+](C)CC4)nc3)ncn2)CC1 ZINC001176626997 1206316532 /nfs/dbraw/zinc/31/65/32/1206316532.db2.gz CHPVSSSQGQTFSF-UHFFFAOYSA-N 2 2 369.477 0.514 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CCn2cc[nH+]c2)CC3)CC1 ZINC001176874576 1206324161 /nfs/dbraw/zinc/32/41/61/1206324161.db2.gz YMSXLQXCJJFTRL-UHFFFAOYSA-N 2 2 357.462 0.260 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001177087669 1206329503 /nfs/dbraw/zinc/32/95/03/1206329503.db2.gz HNEMVYGROXYKNW-CYBMUJFWSA-N 2 2 360.418 0.926 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001177087669 1206329506 /nfs/dbraw/zinc/32/95/06/1206329506.db2.gz HNEMVYGROXYKNW-CYBMUJFWSA-N 2 2 360.418 0.926 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220584818 1224949676 /nfs/dbraw/zinc/94/96/76/1224949676.db2.gz KUXLJJHSEZSAQR-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220584818 1224949689 /nfs/dbraw/zinc/94/96/89/1224949689.db2.gz KUXLJJHSEZSAQR-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584873 1224949135 /nfs/dbraw/zinc/94/91/35/1224949135.db2.gz NEORHWAGWYXTOC-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584873 1224949145 /nfs/dbraw/zinc/94/91/45/1224949145.db2.gz NEORHWAGWYXTOC-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179561111 1206381395 /nfs/dbraw/zinc/38/13/95/1206381395.db2.gz BEFJRXHUHWOOPP-JJXSEGSLSA-N 2 2 361.490 0.875 20 0 FCADLP COc1cc(N2CCN(C(=O)CN3CC[NH+](C(C)C)CC3)CC2)cc[nH+]1 ZINC001180347204 1206392983 /nfs/dbraw/zinc/39/29/83/1206392983.db2.gz VVJDAPFGKUPENC-UHFFFAOYSA-N 2 2 361.490 0.765 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]3(C)CCCO3)CC2)C1=O ZINC001180466442 1206395508 /nfs/dbraw/zinc/39/55/08/1206395508.db2.gz IJRVPXOGHYELBH-GOSISDBHSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]3(C)CCCO3)CC2)C1=O ZINC001180466442 1206395510 /nfs/dbraw/zinc/39/55/10/1206395510.db2.gz IJRVPXOGHYELBH-GOSISDBHSA-N 2 2 366.506 0.252 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760773 1206399561 /nfs/dbraw/zinc/39/95/61/1206399561.db2.gz VFYUPADNKILOLJ-NXHRZFHOSA-N 2 2 363.433 0.820 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760773 1206399563 /nfs/dbraw/zinc/39/95/63/1206399563.db2.gz VFYUPADNKILOLJ-NXHRZFHOSA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760773 1206399565 /nfs/dbraw/zinc/39/95/65/1206399565.db2.gz VFYUPADNKILOLJ-NXHRZFHOSA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760773 1206399566 /nfs/dbraw/zinc/39/95/66/1206399566.db2.gz VFYUPADNKILOLJ-NXHRZFHOSA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)Cc2cc[nH+]c(N)c2)CC3)CC1 ZINC001181248274 1206406191 /nfs/dbraw/zinc/40/61/91/1206406191.db2.gz HMHRMAVAKQTYLY-UHFFFAOYSA-N 2 2 369.473 0.193 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001182598021 1206439190 /nfs/dbraw/zinc/43/91/90/1206439190.db2.gz XEDPQZUUJNDJCW-UHFFFAOYSA-N 2 2 356.430 0.315 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]Cc1cnn(C)n1 ZINC001182669320 1206440833 /nfs/dbraw/zinc/44/08/33/1206440833.db2.gz LRRAXDQJTSCVMH-NVQRDWNXSA-N 2 2 371.489 0.927 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185749109 1206485009 /nfs/dbraw/zinc/48/50/09/1206485009.db2.gz AJDMPRHAZFSUMY-RBSFLKMASA-N 2 2 362.478 0.422 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001186037473 1206491513 /nfs/dbraw/zinc/49/15/13/1206491513.db2.gz HQWZJEOZVTXYBZ-GGXPGOJBSA-N 2 2 360.458 0.248 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001186037473 1206491515 /nfs/dbraw/zinc/49/15/15/1206491515.db2.gz HQWZJEOZVTXYBZ-GGXPGOJBSA-N 2 2 360.458 0.248 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186402250 1206496682 /nfs/dbraw/zinc/49/66/82/1206496682.db2.gz JNDUGVZZBIUEJZ-BZUAXINKSA-N 2 2 362.474 0.740 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186402250 1206496684 /nfs/dbraw/zinc/49/66/84/1206496684.db2.gz JNDUGVZZBIUEJZ-BZUAXINKSA-N 2 2 362.474 0.740 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001110385958 1206510768 /nfs/dbraw/zinc/51/07/68/1206510768.db2.gz BYFJLASOUUQRKG-LVQVYYBASA-N 2 2 365.522 0.900 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001110385958 1206510769 /nfs/dbraw/zinc/51/07/69/1206510769.db2.gz BYFJLASOUUQRKG-LVQVYYBASA-N 2 2 365.522 0.900 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)(C)C ZINC001110385958 1206510773 /nfs/dbraw/zinc/51/07/73/1206510773.db2.gz BYFJLASOUUQRKG-LVQVYYBASA-N 2 2 365.522 0.900 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)CCc2[nH]cc[nH+]2)C3)CC1 ZINC001273543517 1207374539 /nfs/dbraw/zinc/37/45/39/1207374539.db2.gz FDTOLIDENAQLKK-OAHLLOKOSA-N 2 2 359.474 0.743 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368906 1207447057 /nfs/dbraw/zinc/44/70/57/1207447057.db2.gz BUWITJDXSFRQJL-YQQAZPJKSA-N 2 2 359.474 0.457 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368906 1207447059 /nfs/dbraw/zinc/44/70/59/1207447059.db2.gz BUWITJDXSFRQJL-YQQAZPJKSA-N 2 2 359.474 0.457 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188723959 1207477106 /nfs/dbraw/zinc/47/71/06/1207477106.db2.gz KIYNSHVUBWCJJO-RCCFBDPRSA-N 2 2 364.490 0.839 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188723959 1207477109 /nfs/dbraw/zinc/47/71/09/1207477109.db2.gz KIYNSHVUBWCJJO-RCCFBDPRSA-N 2 2 364.490 0.839 20 0 FCADLP CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189046269 1207497706 /nfs/dbraw/zinc/49/77/06/1207497706.db2.gz RHWCNGYLPDLJSF-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189046269 1207497708 /nfs/dbraw/zinc/49/77/08/1207497708.db2.gz RHWCNGYLPDLJSF-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189046269 1207497709 /nfs/dbraw/zinc/49/77/09/1207497709.db2.gz RHWCNGYLPDLJSF-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189046269 1207497710 /nfs/dbraw/zinc/49/77/10/1207497710.db2.gz RHWCNGYLPDLJSF-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001189260811 1207528705 /nfs/dbraw/zinc/52/87/05/1207528705.db2.gz GFRJVYSTHWJACI-BHYGNILZSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001189260811 1207528713 /nfs/dbraw/zinc/52/87/13/1207528713.db2.gz GFRJVYSTHWJACI-BHYGNILZSA-N 2 2 359.474 0.893 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189544101 1207565491 /nfs/dbraw/zinc/56/54/91/1207565491.db2.gz KMWHWPRDVWNYKQ-WMLDXEAASA-N 2 2 368.441 0.550 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189544101 1207565494 /nfs/dbraw/zinc/56/54/94/1207565494.db2.gz KMWHWPRDVWNYKQ-WMLDXEAASA-N 2 2 368.441 0.550 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762745 1207596223 /nfs/dbraw/zinc/59/62/23/1207596223.db2.gz FDLWSGWCPYNDIX-QILLFSRXSA-N 2 2 371.441 0.421 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762745 1207596228 /nfs/dbraw/zinc/59/62/28/1207596228.db2.gz FDLWSGWCPYNDIX-QILLFSRXSA-N 2 2 371.441 0.421 20 0 FCADLP O=C(N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1)C12CC[NH+](CC1)CC2 ZINC001273590007 1207622241 /nfs/dbraw/zinc/62/22/41/1207622241.db2.gz VMPAEABIYFIBSD-IRXDYDNUSA-N 2 2 359.474 0.281 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999131 1207635292 /nfs/dbraw/zinc/63/52/92/1207635292.db2.gz MNIOTNLFDPGWCI-BHYGNILZSA-N 2 2 361.490 0.930 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999131 1207635296 /nfs/dbraw/zinc/63/52/96/1207635296.db2.gz MNIOTNLFDPGWCI-BHYGNILZSA-N 2 2 361.490 0.930 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CCC1 ZINC001193821979 1207892370 /nfs/dbraw/zinc/89/23/70/1207892370.db2.gz UZNFKRGFVGZDAT-QZTJIDSGSA-N 2 2 365.449 0.464 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CCC1 ZINC001193821979 1207892373 /nfs/dbraw/zinc/89/23/73/1207892373.db2.gz UZNFKRGFVGZDAT-QZTJIDSGSA-N 2 2 365.449 0.464 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CCC1 ZINC001193821979 1207892374 /nfs/dbraw/zinc/89/23/74/1207892374.db2.gz UZNFKRGFVGZDAT-QZTJIDSGSA-N 2 2 365.449 0.464 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CCC1 ZINC001193821979 1207892375 /nfs/dbraw/zinc/89/23/75/1207892375.db2.gz UZNFKRGFVGZDAT-QZTJIDSGSA-N 2 2 365.449 0.464 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193902068 1207898413 /nfs/dbraw/zinc/89/84/13/1207898413.db2.gz MKLVLTYMQJHLQP-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193902068 1207898415 /nfs/dbraw/zinc/89/84/15/1207898415.db2.gz MKLVLTYMQJHLQP-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193902068 1207898418 /nfs/dbraw/zinc/89/84/18/1207898418.db2.gz MKLVLTYMQJHLQP-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193902068 1207898420 /nfs/dbraw/zinc/89/84/20/1207898420.db2.gz MKLVLTYMQJHLQP-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)c[nH+]1 ZINC001194032220 1207909012 /nfs/dbraw/zinc/90/90/12/1207909012.db2.gz NDUHCRKXYCVJRV-IAGOWNOFSA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)c[nH+]1 ZINC001194032220 1207909016 /nfs/dbraw/zinc/90/90/16/1207909016.db2.gz NDUHCRKXYCVJRV-IAGOWNOFSA-N 2 2 364.490 0.905 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O)[NH+](C)C ZINC001194102715 1207918737 /nfs/dbraw/zinc/91/87/37/1207918737.db2.gz NGTCNZLMOUPYQW-BRWVUGGUSA-N 2 2 362.474 0.048 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O)[NH+](C)C ZINC001194102715 1207918746 /nfs/dbraw/zinc/91/87/46/1207918746.db2.gz NGTCNZLMOUPYQW-BRWVUGGUSA-N 2 2 362.474 0.048 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O)[NH+](C)C ZINC001194102976 1207919531 /nfs/dbraw/zinc/91/95/31/1207919531.db2.gz RBDSRFFGXFHACD-GUDVDZBRSA-N 2 2 371.485 0.874 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O)[NH+](C)C ZINC001194102976 1207919534 /nfs/dbraw/zinc/91/95/34/1207919534.db2.gz RBDSRFFGXFHACD-GUDVDZBRSA-N 2 2 371.485 0.874 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001194244377 1207927037 /nfs/dbraw/zinc/92/70/37/1207927037.db2.gz NSJJVCVDJSJSJM-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001194244377 1207927040 /nfs/dbraw/zinc/92/70/40/1207927040.db2.gz NSJJVCVDJSJSJM-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001194244377 1207927043 /nfs/dbraw/zinc/92/70/43/1207927043.db2.gz NSJJVCVDJSJSJM-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001194244377 1207927046 /nfs/dbraw/zinc/92/70/46/1207927046.db2.gz NSJJVCVDJSJSJM-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001194250586 1207927160 /nfs/dbraw/zinc/92/71/60/1207927160.db2.gz FWJGTRYQNPZWAF-BMGDILEWSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001194250586 1207927166 /nfs/dbraw/zinc/92/71/66/1207927166.db2.gz FWJGTRYQNPZWAF-BMGDILEWSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001194250586 1207927170 /nfs/dbraw/zinc/92/71/70/1207927170.db2.gz FWJGTRYQNPZWAF-BMGDILEWSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001194250586 1207927174 /nfs/dbraw/zinc/92/71/74/1207927174.db2.gz FWJGTRYQNPZWAF-BMGDILEWSA-N 2 2 364.490 0.799 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194409812 1207944693 /nfs/dbraw/zinc/94/46/93/1207944693.db2.gz WZMGGPJCVNGIMG-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194409812 1207944699 /nfs/dbraw/zinc/94/46/99/1207944699.db2.gz WZMGGPJCVNGIMG-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195129043 1208001406 /nfs/dbraw/zinc/00/14/06/1208001406.db2.gz VOHFDWYTHXNXKW-QZTJIDSGSA-N 2 2 358.442 0.686 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195129043 1208001408 /nfs/dbraw/zinc/00/14/08/1208001408.db2.gz VOHFDWYTHXNXKW-QZTJIDSGSA-N 2 2 358.442 0.686 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195138721 1208001436 /nfs/dbraw/zinc/00/14/36/1208001436.db2.gz DLGBZSOGPSDFBZ-SJLPKXTDSA-N 2 2 357.458 0.701 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195138721 1208001438 /nfs/dbraw/zinc/00/14/38/1208001438.db2.gz DLGBZSOGPSDFBZ-SJLPKXTDSA-N 2 2 357.458 0.701 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)c1ccccc1 ZINC001195149744 1208004972 /nfs/dbraw/zinc/00/49/72/1208004972.db2.gz XCRJQKAYCQIDEU-KZNAEPCWSA-N 2 2 358.442 0.822 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)c1ccccc1 ZINC001195149744 1208004976 /nfs/dbraw/zinc/00/49/76/1208004976.db2.gz XCRJQKAYCQIDEU-KZNAEPCWSA-N 2 2 358.442 0.822 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821846 1208042329 /nfs/dbraw/zinc/04/23/29/1208042329.db2.gz POSDZJSZANQGTQ-NUEKZKHPSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821846 1208042331 /nfs/dbraw/zinc/04/23/31/1208042331.db2.gz POSDZJSZANQGTQ-NUEKZKHPSA-N 2 2 368.522 0.183 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894459 1208044324 /nfs/dbraw/zinc/04/43/24/1208044324.db2.gz YKHMUFCATDPYFI-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894459 1208044327 /nfs/dbraw/zinc/04/43/27/1208044327.db2.gz YKHMUFCATDPYFI-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894459 1208044332 /nfs/dbraw/zinc/04/43/32/1208044332.db2.gz YKHMUFCATDPYFI-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894459 1208044335 /nfs/dbraw/zinc/04/43/35/1208044335.db2.gz YKHMUFCATDPYFI-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168483 1208062857 /nfs/dbraw/zinc/06/28/57/1208062857.db2.gz KWRTUYPKIXYJFM-CGTJXYLNSA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168483 1208062860 /nfs/dbraw/zinc/06/28/60/1208062860.db2.gz KWRTUYPKIXYJFM-CGTJXYLNSA-N 2 2 364.490 0.732 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196222393 1208068683 /nfs/dbraw/zinc/06/86/83/1208068683.db2.gz MZCUSLJBUWFMFL-OWCLPIDISA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196222393 1208068686 /nfs/dbraw/zinc/06/86/86/1208068686.db2.gz MZCUSLJBUWFMFL-OWCLPIDISA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1=O ZINC001196222393 1208068690 /nfs/dbraw/zinc/06/86/90/1208068690.db2.gz MZCUSLJBUWFMFL-OWCLPIDISA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1=O ZINC001196222393 1208068694 /nfs/dbraw/zinc/06/86/94/1208068694.db2.gz MZCUSLJBUWFMFL-OWCLPIDISA-N 2 2 368.522 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1O ZINC001196940308 1208124256 /nfs/dbraw/zinc/12/42/56/1208124256.db2.gz PTNUDWHGFMSGKU-LVLPYEQSSA-N 2 2 359.470 0.583 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1O ZINC001196940308 1208124261 /nfs/dbraw/zinc/12/42/61/1208124261.db2.gz PTNUDWHGFMSGKU-LVLPYEQSSA-N 2 2 359.470 0.583 20 0 FCADLP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953265 1208125050 /nfs/dbraw/zinc/12/50/50/1208125050.db2.gz ASPIIZBBWPEHRA-BMGDILEWSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953265 1208125053 /nfs/dbraw/zinc/12/50/53/1208125053.db2.gz ASPIIZBBWPEHRA-BMGDILEWSA-N 2 2 365.449 0.770 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001197009932 1208129263 /nfs/dbraw/zinc/12/92/63/1208129263.db2.gz KKWRNGZIZLBTFM-IAGOWNOFSA-N 2 2 368.522 0.186 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1O ZINC001197009932 1208129266 /nfs/dbraw/zinc/12/92/66/1208129266.db2.gz KKWRNGZIZLBTFM-IAGOWNOFSA-N 2 2 368.522 0.186 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001197009932 1208129270 /nfs/dbraw/zinc/12/92/70/1208129270.db2.gz KKWRNGZIZLBTFM-IAGOWNOFSA-N 2 2 368.522 0.186 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001197009932 1208129274 /nfs/dbraw/zinc/12/92/74/1208129274.db2.gz KKWRNGZIZLBTFM-IAGOWNOFSA-N 2 2 368.522 0.186 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220740777 1225047106 /nfs/dbraw/zinc/04/71/06/1225047106.db2.gz RFPYXCUHJBVHJL-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220740777 1225047116 /nfs/dbraw/zinc/04/71/16/1225047116.db2.gz RFPYXCUHJBVHJL-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP C[NH+](C)[C@@](C)(C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197690360 1208186811 /nfs/dbraw/zinc/18/68/11/1208186811.db2.gz UGEKMLCOJIJYIL-QWFCFKBJSA-N 2 2 371.485 0.521 20 0 FCADLP C[NH+](C)[C@@](C)(C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197690360 1208186812 /nfs/dbraw/zinc/18/68/12/1208186812.db2.gz UGEKMLCOJIJYIL-QWFCFKBJSA-N 2 2 371.485 0.521 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001198003896 1208211176 /nfs/dbraw/zinc/21/11/76/1208211176.db2.gz MJEIZAHPNZKCQZ-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001198003896 1208211179 /nfs/dbraw/zinc/21/11/79/1208211179.db2.gz MJEIZAHPNZKCQZ-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001198003896 1208211182 /nfs/dbraw/zinc/21/11/82/1208211182.db2.gz MJEIZAHPNZKCQZ-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1O ZINC001198003896 1208211184 /nfs/dbraw/zinc/21/11/84/1208211184.db2.gz MJEIZAHPNZKCQZ-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001198019381 1208211354 /nfs/dbraw/zinc/21/13/54/1208211354.db2.gz ZAHLPTMEXONPSW-RTBURBONSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001198019381 1208211358 /nfs/dbraw/zinc/21/13/58/1208211358.db2.gz ZAHLPTMEXONPSW-RTBURBONSA-N 2 2 363.502 0.885 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001198048505 1208213476 /nfs/dbraw/zinc/21/34/76/1208213476.db2.gz WTHQGVNPBMQNQF-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001198048505 1208213478 /nfs/dbraw/zinc/21/34/78/1208213478.db2.gz WTHQGVNPBMQNQF-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001198048505 1208213480 /nfs/dbraw/zinc/21/34/80/1208213480.db2.gz WTHQGVNPBMQNQF-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001198048505 1208213482 /nfs/dbraw/zinc/21/34/82/1208213482.db2.gz WTHQGVNPBMQNQF-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037974 1208216591 /nfs/dbraw/zinc/21/65/91/1208216591.db2.gz DUUWEMHVQOGCHE-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037974 1208216595 /nfs/dbraw/zinc/21/65/95/1208216595.db2.gz DUUWEMHVQOGCHE-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037974 1208216600 /nfs/dbraw/zinc/21/66/00/1208216600.db2.gz DUUWEMHVQOGCHE-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037974 1208216604 /nfs/dbraw/zinc/21/66/04/1208216604.db2.gz DUUWEMHVQOGCHE-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746725 1225049903 /nfs/dbraw/zinc/04/99/03/1225049903.db2.gz LANXCYYVVGKRNR-QYZOEREBSA-N 2 2 371.485 0.737 20 0 FCADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746725 1225049910 /nfs/dbraw/zinc/04/99/10/1225049910.db2.gz LANXCYYVVGKRNR-QYZOEREBSA-N 2 2 371.485 0.737 20 0 FCADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746725 1225049915 /nfs/dbraw/zinc/04/99/15/1225049915.db2.gz LANXCYYVVGKRNR-QYZOEREBSA-N 2 2 371.485 0.737 20 0 FCADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746725 1225049924 /nfs/dbraw/zinc/04/99/24/1225049924.db2.gz LANXCYYVVGKRNR-QYZOEREBSA-N 2 2 371.485 0.737 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110506235 1208239395 /nfs/dbraw/zinc/23/93/95/1208239395.db2.gz LFKALGFEIGCFOI-QXSJWSMHSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110506235 1208239397 /nfs/dbraw/zinc/23/93/97/1208239397.db2.gz LFKALGFEIGCFOI-QXSJWSMHSA-N 2 2 358.446 0.321 20 0 FCADLP CC(=O)N1CC(C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)C1 ZINC001273767658 1208257620 /nfs/dbraw/zinc/25/76/20/1208257620.db2.gz SPUGEONLNPBFAE-MOPGFXCFSA-N 2 2 359.474 0.913 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198689602 1208278809 /nfs/dbraw/zinc/27/88/09/1208278809.db2.gz ODRVTOYYTZJGDC-KBAYOESNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198689602 1208278810 /nfs/dbraw/zinc/27/88/10/1208278810.db2.gz ODRVTOYYTZJGDC-KBAYOESNSA-N 2 2 362.474 0.020 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023892 1208310157 /nfs/dbraw/zinc/31/01/57/1208310157.db2.gz SFBGBYXYTDENHP-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023892 1208310159 /nfs/dbraw/zinc/31/01/59/1208310159.db2.gz SFBGBYXYTDENHP-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001199096784 1208317763 /nfs/dbraw/zinc/31/77/63/1208317763.db2.gz SLNSUOFUHIJGJC-IAGOWNOFSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001199096784 1208317765 /nfs/dbraw/zinc/31/77/65/1208317765.db2.gz SLNSUOFUHIJGJC-IAGOWNOFSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001199096784 1208317770 /nfs/dbraw/zinc/31/77/70/1208317770.db2.gz SLNSUOFUHIJGJC-IAGOWNOFSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001199096784 1208317771 /nfs/dbraw/zinc/31/77/71/1208317771.db2.gz SLNSUOFUHIJGJC-IAGOWNOFSA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@@H](CO)C(=O)OC(C)(C)C)CC1 ZINC001199361081 1208343194 /nfs/dbraw/zinc/34/31/94/1208343194.db2.gz ZRJHDRLCAQDZOT-AWEZNQCLSA-N 2 2 364.446 0.266 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764146 1225060467 /nfs/dbraw/zinc/06/04/67/1225060467.db2.gz ATUXIXNCBGUYBZ-CVEARBPZSA-N 2 2 369.437 0.074 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764146 1225060477 /nfs/dbraw/zinc/06/04/77/1225060477.db2.gz ATUXIXNCBGUYBZ-CVEARBPZSA-N 2 2 369.437 0.074 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001691705555 1208437530 /nfs/dbraw/zinc/43/75/30/1208437530.db2.gz TVQFYZODYRQHPV-CABCVRRESA-N 2 2 364.494 0.639 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001691705555 1208437533 /nfs/dbraw/zinc/43/75/33/1208437533.db2.gz TVQFYZODYRQHPV-CABCVRRESA-N 2 2 364.494 0.639 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771749 1225064796 /nfs/dbraw/zinc/06/47/96/1225064796.db2.gz DOZXFBFXIUQPNJ-AEFFLSMTSA-N 2 2 364.490 0.985 20 0 FCADLP CN1CCOC[C@@H]1C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001273925585 1208477789 /nfs/dbraw/zinc/47/77/89/1208477789.db2.gz SMBNAAGFOOZWRF-QRQLOZEOSA-N 2 2 361.490 0.765 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220825939 1225090861 /nfs/dbraw/zinc/09/08/61/1225090861.db2.gz KLJCMRMYDJVHPD-MSOLQXFVSA-N 2 2 367.465 0.711 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220825939 1225090870 /nfs/dbraw/zinc/09/08/70/1225090870.db2.gz KLJCMRMYDJVHPD-MSOLQXFVSA-N 2 2 367.465 0.711 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220825939 1225090881 /nfs/dbraw/zinc/09/08/81/1225090881.db2.gz KLJCMRMYDJVHPD-MSOLQXFVSA-N 2 2 367.465 0.711 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220825939 1225090889 /nfs/dbraw/zinc/09/08/89/1225090889.db2.gz KLJCMRMYDJVHPD-MSOLQXFVSA-N 2 2 367.465 0.711 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220831357 1225096311 /nfs/dbraw/zinc/09/63/11/1225096311.db2.gz WTHQGVNPBMQNQF-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220831357 1225096316 /nfs/dbraw/zinc/09/63/16/1225096316.db2.gz WTHQGVNPBMQNQF-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220831357 1225096328 /nfs/dbraw/zinc/09/63/28/1225096328.db2.gz WTHQGVNPBMQNQF-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220831357 1225096336 /nfs/dbraw/zinc/09/63/36/1225096336.db2.gz WTHQGVNPBMQNQF-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001489546800 1208910291 /nfs/dbraw/zinc/91/02/91/1208910291.db2.gz VPPRYQONTFIVRZ-ZIAGYGMSSA-N 2 2 365.478 0.272 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001489546800 1208910294 /nfs/dbraw/zinc/91/02/94/1208910294.db2.gz VPPRYQONTFIVRZ-ZIAGYGMSSA-N 2 2 365.478 0.272 20 0 FCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)c1 ZINC001220913165 1225136726 /nfs/dbraw/zinc/13/67/26/1225136726.db2.gz KGNOYMOSHDROQA-RDJZCZTQSA-N 3 2 360.458 0.243 20 0 FCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]([NH3+])CN3)CC2)c1 ZINC001220913165 1225136733 /nfs/dbraw/zinc/13/67/33/1225136733.db2.gz KGNOYMOSHDROQA-RDJZCZTQSA-N 2 2 360.458 0.243 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928549 1225145303 /nfs/dbraw/zinc/14/53/03/1225145303.db2.gz UKHDCYAWVYBREV-KRWDZBQOSA-N 2 2 370.457 0.354 20 0 FCADLP c1cnc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000856771020 1209728648 /nfs/dbraw/zinc/72/86/48/1209728648.db2.gz WABYCVKXXZQBCP-OAHLLOKOSA-N 2 2 355.446 0.862 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001110714871 1209734227 /nfs/dbraw/zinc/73/42/27/1209734227.db2.gz KLHWQMPYMIJRSL-VQHPVUNQSA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001110714871 1209734230 /nfs/dbraw/zinc/73/42/30/1209734230.db2.gz KLHWQMPYMIJRSL-VQHPVUNQSA-N 2 2 366.506 0.343 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cn1 ZINC000861754184 1209879841 /nfs/dbraw/zinc/87/98/41/1209879841.db2.gz CVGIKQFRFRGHPI-INIZCTEOSA-N 2 2 370.457 0.648 20 0 FCADLP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2)C1CC1 ZINC001110817014 1209910625 /nfs/dbraw/zinc/91/06/25/1209910625.db2.gz IPERHCCEDOUXNQ-ZACQAIPSSA-N 2 2 359.474 0.924 20 0 FCADLP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2)C1CC1 ZINC001110817014 1209910630 /nfs/dbraw/zinc/91/06/30/1209910630.db2.gz IPERHCCEDOUXNQ-ZACQAIPSSA-N 2 2 359.474 0.924 20 0 FCADLP CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000863552130 1209944991 /nfs/dbraw/zinc/94/49/91/1209944991.db2.gz VZUKSQOHKKXPLL-OAHLLOKOSA-N 2 2 370.494 0.112 20 0 FCADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)ccn2)CC1 ZINC000865416381 1209978352 /nfs/dbraw/zinc/97/83/52/1209978352.db2.gz ZGESSVBXZTXTAR-SFHVURJKSA-N 2 2 371.489 0.894 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709639 1210003202 /nfs/dbraw/zinc/00/32/02/1210003202.db2.gz SXJSERICBGVJMH-IMJJTQAJSA-N 2 2 362.405 0.940 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709639 1210003206 /nfs/dbraw/zinc/00/32/06/1210003206.db2.gz SXJSERICBGVJMH-IMJJTQAJSA-N 2 2 362.405 0.940 20 0 FCADLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866710301 1210003823 /nfs/dbraw/zinc/00/38/23/1210003823.db2.gz XVYKCVWBJDZNOI-UAGQMJEPSA-N 2 2 374.441 0.891 20 0 FCADLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866710301 1210003828 /nfs/dbraw/zinc/00/38/28/1210003828.db2.gz XVYKCVWBJDZNOI-UAGQMJEPSA-N 2 2 374.441 0.891 20 0 FCADLP O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000866722905 1210005498 /nfs/dbraw/zinc/00/54/98/1210005498.db2.gz APEYTBDTSSRXHK-UXHICEINSA-N 2 2 372.513 0.961 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2ccc3nnc(-c4ccc(F)cc4)n3c2)C1 ZINC001220994795 1225179802 /nfs/dbraw/zinc/17/98/02/1225179802.db2.gz HBZUETJDBMCGBS-GJZGRUSLSA-N 2 2 354.389 0.841 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221005198 1225181912 /nfs/dbraw/zinc/18/19/12/1225181912.db2.gz YSCWSAPLOLSOGO-SDADXPQNSA-N 2 2 363.462 0.013 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000868131152 1210042867 /nfs/dbraw/zinc/04/28/67/1210042867.db2.gz ZMRZMAVAMOTTAM-MUJYYYPQSA-N 2 2 362.478 0.867 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)ncn1 ZINC001220994255 1225178891 /nfs/dbraw/zinc/17/88/91/1225178891.db2.gz IUUIOEBATCNVBD-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)ncn1 ZINC001220994255 1225178896 /nfs/dbraw/zinc/17/88/96/1225178896.db2.gz IUUIOEBATCNVBD-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4(CCNC4=O)CC3)C2)CC1 ZINC000872902561 1210219471 /nfs/dbraw/zinc/21/94/71/1210219471.db2.gz DXIRPZLKSINQKS-OAHLLOKOSA-N 2 2 363.506 0.467 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4(CCNC4=O)CC3)C2)CC1 ZINC000872902561 1210219483 /nfs/dbraw/zinc/21/94/83/1210219483.db2.gz DXIRPZLKSINQKS-OAHLLOKOSA-N 2 2 363.506 0.467 20 0 FCADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221058392 1225202925 /nfs/dbraw/zinc/20/29/25/1225202925.db2.gz HOXBHZKIFHAQSQ-WFXMLNOXSA-N 2 2 367.449 0.992 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CC1=O ZINC000874893434 1210321517 /nfs/dbraw/zinc/32/15/17/1210321517.db2.gz RMMLISXQSNJGCS-DOTOQJQBSA-N 2 2 362.449 0.709 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063047 1225204803 /nfs/dbraw/zinc/20/48/03/1225204803.db2.gz KAFFHOTYTDTMSG-RBUKOAKNSA-N 3 2 359.518 0.518 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063047 1225204805 /nfs/dbraw/zinc/20/48/05/1225204805.db2.gz KAFFHOTYTDTMSG-RBUKOAKNSA-N 3 2 359.518 0.518 20 0 FCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000875228170 1210353987 /nfs/dbraw/zinc/35/39/87/1210353987.db2.gz VXXRMDYELFFPMR-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000875228170 1210353990 /nfs/dbraw/zinc/35/39/90/1210353990.db2.gz VXXRMDYELFFPMR-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000875394641 1210370827 /nfs/dbraw/zinc/37/08/27/1210370827.db2.gz TXNXHUWHMBNYHZ-SQNIBIBYSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000875394641 1210370830 /nfs/dbraw/zinc/37/08/30/1210370830.db2.gz TXNXHUWHMBNYHZ-SQNIBIBYSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879576220 1210488766 /nfs/dbraw/zinc/48/87/66/1210488766.db2.gz AIXIMGLMBICZMS-IXDOHACOSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879576220 1210488771 /nfs/dbraw/zinc/48/87/71/1210488771.db2.gz AIXIMGLMBICZMS-IXDOHACOSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576220 1210488774 /nfs/dbraw/zinc/48/87/74/1210488774.db2.gz AIXIMGLMBICZMS-IXDOHACOSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576220 1210488775 /nfs/dbraw/zinc/48/87/75/1210488775.db2.gz AIXIMGLMBICZMS-IXDOHACOSA-N 2 2 358.490 0.540 20 0 FCADLP CONC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000879923099 1210504581 /nfs/dbraw/zinc/50/45/81/1210504581.db2.gz RVWLOPNLBZGASS-UHFFFAOYSA-N 2 2 374.485 0.720 20 0 FCADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nnc4n3CCNC4=O)CC2)cc1 ZINC000883293964 1210660933 /nfs/dbraw/zinc/66/09/33/1210660933.db2.gz LUUPBDCJJMWHNI-UHFFFAOYSA-N 2 2 369.473 0.846 20 0 FCADLP C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cccc(OCC[NH+](C)C)c1 ZINC000883303161 1210661545 /nfs/dbraw/zinc/66/15/45/1210661545.db2.gz QLYWXBZHAIXHKR-ZDUSSCGKSA-N 2 2 358.446 0.813 20 0 FCADLP Cn1ccn2c(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)nnc2c1=O ZINC000883333912 1210661932 /nfs/dbraw/zinc/66/19/32/1210661932.db2.gz GUWKXTQQQZWACG-UHFFFAOYSA-N 2 2 356.430 0.658 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416824 1210666229 /nfs/dbraw/zinc/66/62/29/1210666229.db2.gz GPLDPIRDVBVJCI-HOTGVXAUSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416824 1210666232 /nfs/dbraw/zinc/66/62/32/1210666232.db2.gz GPLDPIRDVBVJCI-HOTGVXAUSA-N 2 2 363.506 0.465 20 0 FCADLP CN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C[NH3+])CCCCC1 ZINC000883652494 1210680242 /nfs/dbraw/zinc/68/02/42/1210680242.db2.gz PRLKSFOKEJUPQK-UHFFFAOYSA-N 2 2 359.474 0.850 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884188973 1210721267 /nfs/dbraw/zinc/72/12/67/1210721267.db2.gz UDFRZECYJIGDEQ-HNNXBMFYSA-N 2 2 372.391 0.986 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884528786 1210745569 /nfs/dbraw/zinc/74/55/69/1210745569.db2.gz YJVVXSHJPXBDRD-LJQANCHMSA-N 2 2 355.442 0.943 20 0 FCADLP CCN(C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000884600806 1210759483 /nfs/dbraw/zinc/75/94/83/1210759483.db2.gz PLDZNBFFTFMNKF-GOSISDBHSA-N 2 2 373.501 0.135 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884627801 1210766331 /nfs/dbraw/zinc/76/63/31/1210766331.db2.gz BQEDYMVXBSRZIW-HXUWFJFHSA-N 2 2 373.501 0.870 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634133 1210768844 /nfs/dbraw/zinc/76/88/44/1210768844.db2.gz ONNSPXMCCDHGDD-ZFWWWQNUSA-N 2 2 366.412 0.650 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634133 1210768850 /nfs/dbraw/zinc/76/88/50/1210768850.db2.gz ONNSPXMCCDHGDD-ZFWWWQNUSA-N 2 2 366.412 0.650 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000884694041 1210782511 /nfs/dbraw/zinc/78/25/11/1210782511.db2.gz YSUQRHADPKLDHL-QGZVFWFLSA-N 2 2 362.449 0.757 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884810554 1210797676 /nfs/dbraw/zinc/79/76/76/1210797676.db2.gz FLQNAUBVZQYUSN-BBWFWOEESA-N 2 2 355.442 0.997 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)cc[nH+]1 ZINC000884967880 1210805622 /nfs/dbraw/zinc/80/56/22/1210805622.db2.gz MACYJBKVJHKJFD-OAHLLOKOSA-N 2 2 374.489 0.328 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000884983335 1210806872 /nfs/dbraw/zinc/80/68/72/1210806872.db2.gz ILZDKYCOENHRJH-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000884983335 1210806875 /nfs/dbraw/zinc/80/68/75/1210806875.db2.gz ILZDKYCOENHRJH-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000885019952 1210809287 /nfs/dbraw/zinc/80/92/87/1210809287.db2.gz BVDQHOQIYBEMQI-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000885019952 1210809289 /nfs/dbraw/zinc/80/92/89/1210809289.db2.gz BVDQHOQIYBEMQI-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000885020024 1210809418 /nfs/dbraw/zinc/80/94/18/1210809418.db2.gz DCDBZSAVYQOOBT-MSOLQXFVSA-N 2 2 374.485 0.119 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000885020024 1210809420 /nfs/dbraw/zinc/80/94/20/1210809420.db2.gz DCDBZSAVYQOOBT-MSOLQXFVSA-N 2 2 374.485 0.119 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000885022915 1210810068 /nfs/dbraw/zinc/81/00/68/1210810068.db2.gz UYSXGAMZBVYLGI-FFZOFVMBSA-N 2 2 356.470 0.747 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000885022915 1210810071 /nfs/dbraw/zinc/81/00/71/1210810071.db2.gz UYSXGAMZBVYLGI-FFZOFVMBSA-N 2 2 356.470 0.747 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000885022868 1210810126 /nfs/dbraw/zinc/81/01/26/1210810126.db2.gz TVDKZOBKIXVKLC-HPBDAGMYSA-N 2 2 356.470 0.875 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000885022868 1210810130 /nfs/dbraw/zinc/81/01/30/1210810130.db2.gz TVDKZOBKIXVKLC-HPBDAGMYSA-N 2 2 356.470 0.875 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000885227045 1210815953 /nfs/dbraw/zinc/81/59/53/1210815953.db2.gz DYZCOAIZOUAZEV-YLJYHZDGSA-N 2 2 367.453 0.953 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885226862 1210815989 /nfs/dbraw/zinc/81/59/89/1210815989.db2.gz CJENSGLAGLSQBH-IXDOHACOSA-N 2 2 353.426 0.418 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885893028 1210821507 /nfs/dbraw/zinc/82/15/07/1210821507.db2.gz IQOKCZXYUSEIIE-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885893028 1210821509 /nfs/dbraw/zinc/82/15/09/1210821509.db2.gz IQOKCZXYUSEIIE-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000885893028 1210821510 /nfs/dbraw/zinc/82/15/10/1210821510.db2.gz IQOKCZXYUSEIIE-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000885893028 1210821511 /nfs/dbraw/zinc/82/15/11/1210821511.db2.gz IQOKCZXYUSEIIE-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP CO[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975917 1210823284 /nfs/dbraw/zinc/82/32/84/1210823284.db2.gz PUDVORVRJMBFIJ-HZPDHXFCSA-N 2 2 363.462 0.026 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CC[NH2+]C1 ZINC000887066619 1210844831 /nfs/dbraw/zinc/84/48/31/1210844831.db2.gz PRTQRDRPZCCPKR-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000887130590 1210849087 /nfs/dbraw/zinc/84/90/87/1210849087.db2.gz HGOYKNROPMHNQV-MRXNPFEDSA-N 2 2 371.485 0.673 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000887130590 1210849088 /nfs/dbraw/zinc/84/90/88/1210849088.db2.gz HGOYKNROPMHNQV-MRXNPFEDSA-N 2 2 371.485 0.673 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730523 1210852384 /nfs/dbraw/zinc/85/23/84/1210852384.db2.gz GFKDWMISOGZCFC-RDBSUJKOSA-N 2 2 353.467 0.023 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730523 1210852385 /nfs/dbraw/zinc/85/23/85/1210852385.db2.gz GFKDWMISOGZCFC-RDBSUJKOSA-N 2 2 353.467 0.023 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730523 1210852389 /nfs/dbraw/zinc/85/23/89/1210852389.db2.gz GFKDWMISOGZCFC-RDBSUJKOSA-N 2 2 353.467 0.023 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730523 1210852390 /nfs/dbraw/zinc/85/23/90/1210852390.db2.gz GFKDWMISOGZCFC-RDBSUJKOSA-N 2 2 353.467 0.023 20 0 FCADLP COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000887303258 1210854547 /nfs/dbraw/zinc/85/45/47/1210854547.db2.gz OJHAKYVKNMXGMV-QGZVFWFLSA-N 2 2 373.453 0.911 20 0 FCADLP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000887303258 1210854550 /nfs/dbraw/zinc/85/45/50/1210854550.db2.gz OJHAKYVKNMXGMV-QGZVFWFLSA-N 2 2 373.453 0.911 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)c[nH+]1 ZINC001274098385 1210880155 /nfs/dbraw/zinc/88/01/55/1210880155.db2.gz NMUXMKZMRYLEFT-ARFHVFGLSA-N 2 2 359.474 0.392 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221161576 1225246039 /nfs/dbraw/zinc/24/60/39/1225246039.db2.gz UBIAVKJURYJDMT-ZACQAIPSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221161576 1225246048 /nfs/dbraw/zinc/24/60/48/1225246048.db2.gz UBIAVKJURYJDMT-ZACQAIPSSA-N 2 2 366.462 0.020 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110845588 1210991592 /nfs/dbraw/zinc/99/15/92/1210991592.db2.gz ORNVTICZTXLCBW-KFWWJZLASA-N 2 2 360.462 0.099 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110845588 1210991597 /nfs/dbraw/zinc/99/15/97/1210991597.db2.gz ORNVTICZTXLCBW-KFWWJZLASA-N 2 2 360.462 0.099 20 0 FCADLP Cc1cc(NC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)nc(C)[nH+]1 ZINC001066689384 1210992771 /nfs/dbraw/zinc/99/27/71/1210992771.db2.gz JDQAYHUYMFYPHH-VNQPRFMTSA-N 2 2 363.462 0.452 20 0 FCADLP Cc1cc(NC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)nc(C)[nH+]1 ZINC001066689384 1210992774 /nfs/dbraw/zinc/99/27/74/1210992774.db2.gz JDQAYHUYMFYPHH-VNQPRFMTSA-N 2 2 363.462 0.452 20 0 FCADLP C[NH+]1CCC(C)(C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)CC1 ZINC001274400003 1211045955 /nfs/dbraw/zinc/04/59/55/1211045955.db2.gz FMLKMHCVAFPVLJ-CALCHBBNSA-N 2 2 361.490 0.527 20 0 FCADLP O=C(N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2)C12CCC[NH+]1CCC2 ZINC001274408387 1211046291 /nfs/dbraw/zinc/04/62/91/1211046291.db2.gz NEAOQSKRWXFACX-CALCHBBNSA-N 2 2 359.474 0.423 20 0 FCADLP O=C(N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2)C12CCC[NH+]1CCC2 ZINC001274408387 1211046296 /nfs/dbraw/zinc/04/62/96/1211046296.db2.gz NEAOQSKRWXFACX-CALCHBBNSA-N 2 2 359.474 0.423 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274419307 1211049860 /nfs/dbraw/zinc/04/98/60/1211049860.db2.gz RNZYDBYSBLCBDB-SQNIBIBYSA-N 2 2 359.474 0.137 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]2CC1 ZINC001274947732 1211150310 /nfs/dbraw/zinc/15/03/10/1211150310.db2.gz PLSQZJPCHIGBPA-IYBDPMFKSA-N 2 2 359.474 0.465 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]2CC1 ZINC001274947732 1211150312 /nfs/dbraw/zinc/15/03/12/1211150312.db2.gz PLSQZJPCHIGBPA-IYBDPMFKSA-N 2 2 359.474 0.465 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201105 1225267619 /nfs/dbraw/zinc/26/76/19/1225267619.db2.gz BMZJDPIXABPBBK-GJZGRUSLSA-N 2 2 361.425 0.456 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@@H]2C[NH+](C)CCN2C)C3)n(C)n1 ZINC001275176075 1211189051 /nfs/dbraw/zinc/18/90/51/1211189051.db2.gz FSUBFYHGSFOLOQ-NJAFHUGGSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@@H]2C[NH+](C)CCN2C)C3)n(C)n1 ZINC001275176075 1211189052 /nfs/dbraw/zinc/18/90/52/1211189052.db2.gz FSUBFYHGSFOLOQ-NJAFHUGGSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@@H]2C[N@H+](C)CCN2C)C3)n(C)n1 ZINC001275176075 1211189053 /nfs/dbraw/zinc/18/90/53/1211189053.db2.gz FSUBFYHGSFOLOQ-NJAFHUGGSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@@H]2C[N@@H+](C)CCN2C)C3)n(C)n1 ZINC001275176075 1211189055 /nfs/dbraw/zinc/18/90/55/1211189055.db2.gz FSUBFYHGSFOLOQ-NJAFHUGGSA-N 2 2 360.506 0.007 20 0 FCADLP Cn1cc(C[N@@H+]2CCC[C@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001275302323 1211211674 /nfs/dbraw/zinc/21/16/74/1211211674.db2.gz QQDNHWOTIFIKPY-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1cc(C[N@H+]2CCC[C@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001275302323 1211211677 /nfs/dbraw/zinc/21/16/77/1211211677.db2.gz QQDNHWOTIFIKPY-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1ccnc1C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275308041 1211213206 /nfs/dbraw/zinc/21/32/06/1211213206.db2.gz IZYPPPDTNGICLH-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1ccnc1C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275308041 1211213207 /nfs/dbraw/zinc/21/32/07/1211213207.db2.gz IZYPPPDTNGICLH-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1ccc3nccnc3c1)C2 ZINC001275513176 1211252915 /nfs/dbraw/zinc/25/29/15/1211252915.db2.gz YTYAGADHRPRYNN-UHFFFAOYSA-N 2 2 355.442 0.605 20 0 FCADLP Cn1cnnc1CN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275557056 1211256937 /nfs/dbraw/zinc/25/69/37/1211256937.db2.gz UGKIFORIUFUIGT-DLBZAZTESA-N 2 2 368.432 0.231 20 0 FCADLP Cn1cnnc1CN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275557056 1211256938 /nfs/dbraw/zinc/25/69/38/1211256938.db2.gz UGKIFORIUFUIGT-DLBZAZTESA-N 2 2 368.432 0.231 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2C[C@]3(F)CN(Cc4ncccn4)C(=O)[C@]3(F)C2)CC1 ZINC001275557286 1211257113 /nfs/dbraw/zinc/25/71/13/1211257113.db2.gz WWGRHKHUOBMXNH-ZWKOTPCHSA-N 2 2 365.428 0.893 20 0 FCADLP C[NH+]1CCC(C[N@H+]2C[C@]3(F)CN(Cc4ncccn4)C(=O)[C@]3(F)C2)CC1 ZINC001275557286 1211257115 /nfs/dbraw/zinc/25/71/15/1211257115.db2.gz WWGRHKHUOBMXNH-ZWKOTPCHSA-N 2 2 365.428 0.893 20 0 FCADLP COCCOC[N@@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800852 1211285748 /nfs/dbraw/zinc/28/57/48/1211285748.db2.gz IHHQCYJCTCBFCZ-HKUYNNGSSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[N@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800852 1211285749 /nfs/dbraw/zinc/28/57/49/1211285749.db2.gz IHHQCYJCTCBFCZ-HKUYNNGSSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800852 1211285750 /nfs/dbraw/zinc/28/57/50/1211285750.db2.gz IHHQCYJCTCBFCZ-HKUYNNGSSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800852 1211285751 /nfs/dbraw/zinc/28/57/51/1211285751.db2.gz IHHQCYJCTCBFCZ-HKUYNNGSSA-N 2 2 369.506 0.378 20 0 FCADLP CCOC(=O)[C@@H](C)N1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833578 1211293745 /nfs/dbraw/zinc/29/37/45/1211293745.db2.gz KLEMQGLRLWHEIN-OAHLLOKOSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275878193 1211303954 /nfs/dbraw/zinc/30/39/54/1211303954.db2.gz IRSKGRSGZHVSTF-UHFFFAOYSA-N 2 2 359.474 0.622 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880778 1211305388 /nfs/dbraw/zinc/30/53/88/1211305388.db2.gz WIEJDWXDGCBUSE-KHYOSLBOSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880778 1211305392 /nfs/dbraw/zinc/30/53/92/1211305392.db2.gz WIEJDWXDGCBUSE-KHYOSLBOSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880778 1211305393 /nfs/dbraw/zinc/30/53/93/1211305393.db2.gz WIEJDWXDGCBUSE-KHYOSLBOSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880778 1211305397 /nfs/dbraw/zinc/30/53/97/1211305397.db2.gz WIEJDWXDGCBUSE-KHYOSLBOSA-N 2 2 364.490 0.433 20 0 FCADLP Cc1ccc2[nH+]cc(CN3CC4(C3)CN(CC[NH+](C)C)C(=O)CO4)n2c1 ZINC001275920771 1211310229 /nfs/dbraw/zinc/31/02/29/1211310229.db2.gz HFFOISXSJSIONH-UHFFFAOYSA-N 2 2 357.458 0.618 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3cncnc3)C2)C1=O ZINC001275999045 1211322983 /nfs/dbraw/zinc/32/29/83/1211322983.db2.gz CENAIKBLICUCLR-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cncnc3)C2)C1=O ZINC001275999045 1211322985 /nfs/dbraw/zinc/32/29/85/1211322985.db2.gz CENAIKBLICUCLR-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CC[NH+](Cc3nccnc3N)CC2)C1=O ZINC001276049975 1211340592 /nfs/dbraw/zinc/34/05/92/1211340592.db2.gz WIAUWANXJNRUQW-UHFFFAOYSA-N 2 2 355.446 0.807 20 0 FCADLP CNc1nccc(C[N@@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001276057630 1211343782 /nfs/dbraw/zinc/34/37/82/1211343782.db2.gz YMHNVRRBEURLCY-SFHVURJKSA-N 2 2 355.446 0.876 20 0 FCADLP CNc1nccc(C[N@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001276057630 1211343783 /nfs/dbraw/zinc/34/37/83/1211343783.db2.gz YMHNVRRBEURLCY-SFHVURJKSA-N 2 2 355.446 0.876 20 0 FCADLP COCc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)CC2 ZINC000545916746 1211426367 /nfs/dbraw/zinc/42/63/67/1211426367.db2.gz NTQPGYCVVJYIHD-HNNXBMFYSA-N 2 2 365.478 0.747 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684581 1211447305 /nfs/dbraw/zinc/44/73/05/1211447305.db2.gz MJMKHJSFGHOUEE-LTIDMASMSA-N 2 2 360.502 0.957 20 0 FCADLP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684581 1211447306 /nfs/dbraw/zinc/44/73/06/1211447306.db2.gz MJMKHJSFGHOUEE-LTIDMASMSA-N 2 2 360.502 0.957 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046939 1211489316 /nfs/dbraw/zinc/48/93/16/1211489316.db2.gz UAHXCIIPTVJJCQ-SJORKVTESA-N 2 2 360.458 0.678 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046939 1211489318 /nfs/dbraw/zinc/48/93/18/1211489318.db2.gz UAHXCIIPTVJJCQ-SJORKVTESA-N 2 2 360.458 0.678 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567742 1211503253 /nfs/dbraw/zinc/50/32/53/1211503253.db2.gz SNJOSKZCDPKYQS-NEPJUHHUSA-N 2 2 373.379 0.694 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567742 1211503256 /nfs/dbraw/zinc/50/32/56/1211503256.db2.gz SNJOSKZCDPKYQS-NEPJUHHUSA-N 2 2 373.379 0.694 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000929199642 1211622310 /nfs/dbraw/zinc/62/23/10/1211622310.db2.gz BTQOWACCGYUEFN-FUHWJXTLSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000929199642 1211622316 /nfs/dbraw/zinc/62/23/16/1211622316.db2.gz BTQOWACCGYUEFN-FUHWJXTLSA-N 2 2 374.485 0.769 20 0 FCADLP C[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798840 1211661956 /nfs/dbraw/zinc/66/19/56/1211661956.db2.gz QMHVGNQVRPWQKR-UXHICEINSA-N 2 2 363.502 0.923 20 0 FCADLP C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798840 1211661959 /nfs/dbraw/zinc/66/19/59/1211661959.db2.gz QMHVGNQVRPWQKR-UXHICEINSA-N 2 2 363.502 0.923 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001110977933 1211675914 /nfs/dbraw/zinc/67/59/14/1211675914.db2.gz HVTAOCYGBIBZFL-BDXSIMOUSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110977933 1211675916 /nfs/dbraw/zinc/67/59/16/1211675916.db2.gz HVTAOCYGBIBZFL-BDXSIMOUSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001110977933 1211675920 /nfs/dbraw/zinc/67/59/20/1211675920.db2.gz HVTAOCYGBIBZFL-BDXSIMOUSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110977933 1211675926 /nfs/dbraw/zinc/67/59/26/1211675926.db2.gz HVTAOCYGBIBZFL-BDXSIMOUSA-N 2 2 359.474 0.979 20 0 FCADLP CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980193 1211683252 /nfs/dbraw/zinc/68/32/52/1211683252.db2.gz UMQUPDHVANDDNL-ZACQAIPSSA-N 2 2 368.522 0.591 20 0 FCADLP CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980193 1211683256 /nfs/dbraw/zinc/68/32/56/1211683256.db2.gz UMQUPDHVANDDNL-ZACQAIPSSA-N 2 2 368.522 0.591 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)CC2)cc1 ZINC000931281298 1211748961 /nfs/dbraw/zinc/74/89/61/1211748961.db2.gz XDHWYWRYRGUPBP-KXTWHKPSSA-N 2 2 372.513 0.831 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000931606808 1211762996 /nfs/dbraw/zinc/76/29/96/1211762996.db2.gz CGZYVANZLAJFRX-INIZCTEOSA-N 2 2 356.430 0.824 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999164 1211792801 /nfs/dbraw/zinc/79/28/01/1211792801.db2.gz FAXGIECJNKQDLN-HZPDHXFCSA-N 2 2 360.458 0.814 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999164 1211792803 /nfs/dbraw/zinc/79/28/03/1211792803.db2.gz FAXGIECJNKQDLN-HZPDHXFCSA-N 2 2 360.458 0.814 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446689 1225316530 /nfs/dbraw/zinc/31/65/30/1225316530.db2.gz RAVZLYHETZFSNR-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446689 1225316535 /nfs/dbraw/zinc/31/65/35/1225316535.db2.gz RAVZLYHETZFSNR-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446689 1225316541 /nfs/dbraw/zinc/31/65/41/1225316541.db2.gz RAVZLYHETZFSNR-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446689 1225316547 /nfs/dbraw/zinc/31/65/47/1225316547.db2.gz RAVZLYHETZFSNR-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030723 1211807490 /nfs/dbraw/zinc/80/74/90/1211807490.db2.gz ZAHYHQZOAPAOOS-DDBAPUKQSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030723 1211807491 /nfs/dbraw/zinc/80/74/91/1211807491.db2.gz ZAHYHQZOAPAOOS-DDBAPUKQSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111030723 1211807492 /nfs/dbraw/zinc/80/74/92/1211807492.db2.gz ZAHYHQZOAPAOOS-DDBAPUKQSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111030723 1211807493 /nfs/dbraw/zinc/80/74/93/1211807493.db2.gz ZAHYHQZOAPAOOS-DDBAPUKQSA-N 2 2 358.486 0.756 20 0 FCADLP CCc1noc(COCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578222 1211813332 /nfs/dbraw/zinc/81/33/32/1211813332.db2.gz UTTRKZIFCTZHEL-OAHLLOKOSA-N 2 2 365.478 0.776 20 0 FCADLP CCc1noc(COCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578222 1211813333 /nfs/dbraw/zinc/81/33/33/1211813333.db2.gz UTTRKZIFCTZHEL-OAHLLOKOSA-N 2 2 365.478 0.776 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C(=O)NCCO4)C2)CC1 ZINC000932620917 1211814163 /nfs/dbraw/zinc/81/41/63/1211814163.db2.gz DUHKXSNPQJRCSV-HNNXBMFYSA-N 2 2 372.469 0.707 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C(=O)NCCO4)C2)CC1 ZINC000932620917 1211814165 /nfs/dbraw/zinc/81/41/65/1211814165.db2.gz DUHKXSNPQJRCSV-HNNXBMFYSA-N 2 2 372.469 0.707 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933851007 1211848973 /nfs/dbraw/zinc/84/89/73/1211848973.db2.gz NTDKJFWHTWREIX-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000933851007 1211848976 /nfs/dbraw/zinc/84/89/76/1211848976.db2.gz NTDKJFWHTWREIX-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933851007 1211848978 /nfs/dbraw/zinc/84/89/78/1211848978.db2.gz NTDKJFWHTWREIX-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1nc(N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001111141483 1211897300 /nfs/dbraw/zinc/89/73/00/1211897300.db2.gz BIWPCBJIPCGJBV-IDHHARJASA-N 2 2 361.490 0.799 20 0 FCADLP Cc1nc(N2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001111141483 1211897301 /nfs/dbraw/zinc/89/73/01/1211897301.db2.gz BIWPCBJIPCGJBV-IDHHARJASA-N 2 2 361.490 0.799 20 0 FCADLP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2)C1CC1 ZINC001111149953 1211900999 /nfs/dbraw/zinc/90/09/99/1211900999.db2.gz BYEXEBOWAVUHQX-ZACQAIPSSA-N 2 2 364.490 0.051 20 0 FCADLP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2)C1CC1 ZINC001111149953 1211901002 /nfs/dbraw/zinc/90/10/02/1211901002.db2.gz BYEXEBOWAVUHQX-ZACQAIPSSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179515 1211913592 /nfs/dbraw/zinc/91/35/92/1211913592.db2.gz KBSIVODSAARKFD-TUVASFSCSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179515 1211913595 /nfs/dbraw/zinc/91/35/95/1211913595.db2.gz KBSIVODSAARKFD-TUVASFSCSA-N 2 2 365.478 0.023 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111230499 1211935891 /nfs/dbraw/zinc/93/58/91/1211935891.db2.gz OHZIIMWZOHWKCU-TWMKSMIVSA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111230499 1211935898 /nfs/dbraw/zinc/93/58/98/1211935898.db2.gz OHZIIMWZOHWKCU-TWMKSMIVSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111230499 1211935903 /nfs/dbraw/zinc/93/59/03/1211935903.db2.gz OHZIIMWZOHWKCU-TWMKSMIVSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111230499 1211935906 /nfs/dbraw/zinc/93/59/06/1211935906.db2.gz OHZIIMWZOHWKCU-TWMKSMIVSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001095769417 1211983511 /nfs/dbraw/zinc/98/35/11/1211983511.db2.gz MBULNXYWTNIEMC-ILXRZTDVSA-N 2 2 359.430 0.062 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001095769417 1211983524 /nfs/dbraw/zinc/98/35/24/1211983524.db2.gz MBULNXYWTNIEMC-ILXRZTDVSA-N 2 2 359.430 0.062 20 0 FCADLP 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/nfs/dbraw/zinc/36/78/85/1214367885.db2.gz OXIYQDGBJLTFBH-BZUAXINKSA-N 2 2 355.442 0.613 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001038721014 1214367891 /nfs/dbraw/zinc/36/78/91/1214367891.db2.gz OXIYQDGBJLTFBH-BZUAXINKSA-N 2 2 355.442 0.613 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2nnnn2C)CC3)CC[N@@H+]1C ZINC001040706319 1214569313 /nfs/dbraw/zinc/56/93/13/1214569313.db2.gz RXWXGRFOCINTJA-HUUCEWRRSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2nnnn2C)CC3)CC[N@H+]1C ZINC001040706319 1214569316 /nfs/dbraw/zinc/56/93/16/1214569316.db2.gz RXWXGRFOCINTJA-HUUCEWRRSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001040855224 1214605412 /nfs/dbraw/zinc/60/54/12/1214605412.db2.gz CDZCZGSFJSBDFC-BZUAXINKSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nc(C2CC2)[nH+]1 ZINC001041081878 1214691563 /nfs/dbraw/zinc/69/15/63/1214691563.db2.gz SAIHQMWMDBTEBL-HZPDHXFCSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)c(C)c(C)[nH+]1 ZINC001041101206 1214700674 /nfs/dbraw/zinc/70/06/74/1214700674.db2.gz FXZAJRNKHLNWPZ-NVXWUHKLSA-N 2 2 370.457 0.842 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)cc(C)[nH+]1 ZINC001041101712 1214700752 /nfs/dbraw/zinc/70/07/52/1214700752.db2.gz NMXMGZVWIKWVDA-GDBMZVCRSA-N 2 2 370.457 0.788 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC001041175611 1214735274 /nfs/dbraw/zinc/73/52/74/1214735274.db2.gz VAZKEBCMPIWYLQ-IAGOWNOFSA-N 2 2 361.490 0.745 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2ccccc2)CC1 ZINC000652889251 1215263551 /nfs/dbraw/zinc/26/35/51/1215263551.db2.gz MFNJTIUIAONHIY-RTBURBONSA-N 2 2 358.486 0.253 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c2ccccc2)CC1 ZINC000652889251 1215263554 /nfs/dbraw/zinc/26/35/54/1215263554.db2.gz MFNJTIUIAONHIY-RTBURBONSA-N 2 2 358.486 0.253 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001222053459 1225592135 /nfs/dbraw/zinc/59/21/35/1225592135.db2.gz REJTVGPKZVXCKM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001222053459 1225592140 /nfs/dbraw/zinc/59/21/40/1225592140.db2.gz REJTVGPKZVXCKM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001222053459 1225592147 /nfs/dbraw/zinc/59/21/47/1225592147.db2.gz REJTVGPKZVXCKM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001222053459 1225592152 /nfs/dbraw/zinc/59/21/52/1225592152.db2.gz REJTVGPKZVXCKM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CNC(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC001000260721 1216028554 /nfs/dbraw/zinc/02/85/54/1216028554.db2.gz XFVDPPDFGNBHLZ-HUUCEWRRSA-N 2 2 359.474 0.630 20 0 FCADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001000837650 1216119470 /nfs/dbraw/zinc/11/94/70/1216119470.db2.gz PIJCDTFPQJVWQN-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001000837650 1216119471 /nfs/dbraw/zinc/11/94/71/1216119471.db2.gz PIJCDTFPQJVWQN-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001000837650 1216119473 /nfs/dbraw/zinc/11/94/73/1216119473.db2.gz PIJCDTFPQJVWQN-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1cc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001000837650 1216119474 /nfs/dbraw/zinc/11/94/74/1216119474.db2.gz PIJCDTFPQJVWQN-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838521 1216119608 /nfs/dbraw/zinc/11/96/08/1216119608.db2.gz WHHYEAWBPFOPHX-JKIFEVAISA-N 2 2 364.490 0.121 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838521 1216119609 /nfs/dbraw/zinc/11/96/09/1216119609.db2.gz WHHYEAWBPFOPHX-JKIFEVAISA-N 2 2 364.490 0.121 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000838521 1216119610 /nfs/dbraw/zinc/11/96/10/1216119610.db2.gz WHHYEAWBPFOPHX-JKIFEVAISA-N 2 2 364.490 0.121 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000838521 1216119611 /nfs/dbraw/zinc/11/96/11/1216119611.db2.gz WHHYEAWBPFOPHX-JKIFEVAISA-N 2 2 364.490 0.121 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001057053211 1216127196 /nfs/dbraw/zinc/12/71/96/1216127196.db2.gz YRMHQQWUQKKXTR-HZSPNIEDSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001057053211 1216127199 /nfs/dbraw/zinc/12/71/99/1216127199.db2.gz YRMHQQWUQKKXTR-HZSPNIEDSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@@H]2C)C1 ZINC001051016572 1216387926 /nfs/dbraw/zinc/38/79/26/1216387926.db2.gz PUPVCYBMCPGSDO-NFAWXSAZSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@@H]2C)C1 ZINC001051016572 1216387932 /nfs/dbraw/zinc/38/79/32/1216387932.db2.gz PUPVCYBMCPGSDO-NFAWXSAZSA-N 2 2 357.462 0.789 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)ncn1 ZINC001051834870 1216486433 /nfs/dbraw/zinc/48/64/33/1216486433.db2.gz YXOBOOAICDJHLC-BRWVUGGUSA-N 2 2 370.457 0.639 20 0 FCADLP CCc1nnc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487644 1216560457 /nfs/dbraw/zinc/56/04/57/1216560457.db2.gz AQEANFBKSHZAMR-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP CCc1nnc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487644 1216560459 /nfs/dbraw/zinc/56/04/59/1216560459.db2.gz AQEANFBKSHZAMR-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487644 1216560463 /nfs/dbraw/zinc/56/04/63/1216560463.db2.gz AQEANFBKSHZAMR-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487644 1216560467 /nfs/dbraw/zinc/56/04/67/1216560467.db2.gz AQEANFBKSHZAMR-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488004 1216561243 /nfs/dbraw/zinc/56/12/43/1216561243.db2.gz FTZNGPMRHKIOKX-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488004 1216561249 /nfs/dbraw/zinc/56/12/49/1216561249.db2.gz FTZNGPMRHKIOKX-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488004 1216561253 /nfs/dbraw/zinc/56/12/53/1216561253.db2.gz FTZNGPMRHKIOKX-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488004 1216561259 /nfs/dbraw/zinc/56/12/59/1216561259.db2.gz FTZNGPMRHKIOKX-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000827376494 1216592633 /nfs/dbraw/zinc/59/26/33/1216592633.db2.gz FIYLMGNYWSJRML-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000827376494 1216592638 /nfs/dbraw/zinc/59/26/38/1216592638.db2.gz FIYLMGNYWSJRML-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCON2C(=O)c3ccccc3C2=O)CC1 ZINC000827401046 1216595078 /nfs/dbraw/zinc/59/50/78/1216595078.db2.gz VXHARLHFISYXAC-UHFFFAOYSA-N 2 2 374.441 0.310 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413277 1216596642 /nfs/dbraw/zinc/59/66/42/1216596642.db2.gz BSVRJLLHWWEENL-STQMWFEESA-N 2 2 372.477 0.254 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413277 1216596650 /nfs/dbraw/zinc/59/66/50/1216596650.db2.gz BSVRJLLHWWEENL-STQMWFEESA-N 2 2 372.477 0.254 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-n2cncn2)n1 ZINC000827533506 1216627984 /nfs/dbraw/zinc/62/79/84/1216627984.db2.gz VVGUQBCOSDPPHZ-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-n2cncn2)n1 ZINC000827533506 1216627985 /nfs/dbraw/zinc/62/79/85/1216627985.db2.gz VVGUQBCOSDPPHZ-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP Cc1nc(N(C)C)nc(NC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001069799829 1216803779 /nfs/dbraw/zinc/80/37/79/1216803779.db2.gz UFCMJYNPPYRQAF-GALLPEHLSA-N 2 2 361.494 0.988 20 0 FCADLP Cc1nc(N(C)C)nc(NC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001069799829 1216803781 /nfs/dbraw/zinc/80/37/81/1216803781.db2.gz UFCMJYNPPYRQAF-GALLPEHLSA-N 2 2 361.494 0.988 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001069902908 1216827892 /nfs/dbraw/zinc/82/78/92/1216827892.db2.gz VBEDTUCMEKVVBV-ZACQAIPSSA-N 2 2 362.478 0.283 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001069902908 1216827894 /nfs/dbraw/zinc/82/78/94/1216827894.db2.gz VBEDTUCMEKVVBV-ZACQAIPSSA-N 2 2 362.478 0.283 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001069902908 1216827895 /nfs/dbraw/zinc/82/78/95/1216827895.db2.gz VBEDTUCMEKVVBV-ZACQAIPSSA-N 2 2 362.478 0.283 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001069902908 1216827898 /nfs/dbraw/zinc/82/78/98/1216827898.db2.gz VBEDTUCMEKVVBV-ZACQAIPSSA-N 2 2 362.478 0.283 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](n3ccnn3)C2)o1 ZINC001069930669 1216850383 /nfs/dbraw/zinc/85/03/83/1216850383.db2.gz XADSXSPZXXIVSV-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](n3ccnn3)C2)o1 ZINC001069930669 1216850384 /nfs/dbraw/zinc/85/03/84/1216850384.db2.gz XADSXSPZXXIVSV-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](n3ccnn3)C2)o1 ZINC001069930669 1216850386 /nfs/dbraw/zinc/85/03/86/1216850386.db2.gz XADSXSPZXXIVSV-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](n3ccnn3)C2)o1 ZINC001069930669 1216850390 /nfs/dbraw/zinc/85/03/90/1216850390.db2.gz XADSXSPZXXIVSV-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001069949428 1216861961 /nfs/dbraw/zinc/86/19/61/1216861961.db2.gz XHILSAVFGHSEBZ-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001069949428 1216861963 /nfs/dbraw/zinc/86/19/63/1216861963.db2.gz XHILSAVFGHSEBZ-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001069949428 1216861966 /nfs/dbraw/zinc/86/19/66/1216861966.db2.gz XHILSAVFGHSEBZ-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001069949428 1216861968 /nfs/dbraw/zinc/86/19/68/1216861968.db2.gz XHILSAVFGHSEBZ-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959228 1216868310 /nfs/dbraw/zinc/86/83/10/1216868310.db2.gz KZOIVTVOIKNYDU-JLZZUVOBSA-N 2 2 369.429 0.845 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959228 1216868313 /nfs/dbraw/zinc/86/83/13/1216868313.db2.gz KZOIVTVOIKNYDU-JLZZUVOBSA-N 2 2 369.429 0.845 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962299 1216869597 /nfs/dbraw/zinc/86/95/97/1216869597.db2.gz OQYUHTCBBDUGIK-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962299 1216869599 /nfs/dbraw/zinc/86/95/99/1216869599.db2.gz OQYUHTCBBDUGIK-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069980470 1216882610 /nfs/dbraw/zinc/88/26/10/1216882610.db2.gz WVHUVMURMJMRSL-AEFFLSMTSA-N 2 2 369.473 0.805 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069980470 1216882611 /nfs/dbraw/zinc/88/26/11/1216882611.db2.gz WVHUVMURMJMRSL-AEFFLSMTSA-N 2 2 369.473 0.805 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070009197 1216895795 /nfs/dbraw/zinc/89/57/95/1216895795.db2.gz OQDVLNFJGOIHRV-CABCVRRESA-N 2 2 364.425 0.948 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070009197 1216895797 /nfs/dbraw/zinc/89/57/97/1216895797.db2.gz OQDVLNFJGOIHRV-CABCVRRESA-N 2 2 364.425 0.948 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029142 1216908046 /nfs/dbraw/zinc/90/80/46/1216908046.db2.gz XDRNDHVYVZPKAK-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029142 1216908054 /nfs/dbraw/zinc/90/80/54/1216908054.db2.gz XDRNDHVYVZPKAK-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029142 1216908062 /nfs/dbraw/zinc/90/80/62/1216908062.db2.gz XDRNDHVYVZPKAK-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029142 1216908067 /nfs/dbraw/zinc/90/80/67/1216908067.db2.gz XDRNDHVYVZPKAK-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223521923 1225712360 /nfs/dbraw/zinc/71/23/60/1225712360.db2.gz ILUNEDHWIJHAQZ-KONPQCLYSA-N 2 2 373.501 0.973 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223521923 1225712366 /nfs/dbraw/zinc/71/23/66/1225712366.db2.gz ILUNEDHWIJHAQZ-KONPQCLYSA-N 2 2 373.501 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223521952 1225712782 /nfs/dbraw/zinc/71/27/82/1225712782.db2.gz JMOJNDVITQXYAH-KONPQCLYSA-N 2 2 362.474 0.455 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223521952 1225712786 /nfs/dbraw/zinc/71/27/86/1225712786.db2.gz JMOJNDVITQXYAH-KONPQCLYSA-N 2 2 362.474 0.455 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@@H+]1C ZINC001041301355 1217274022 /nfs/dbraw/zinc/27/40/22/1217274022.db2.gz LUUGIRDZVBUFOP-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@H+]1C ZINC001041301355 1217274027 /nfs/dbraw/zinc/27/40/27/1217274027.db2.gz LUUGIRDZVBUFOP-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001041301355 1217274031 /nfs/dbraw/zinc/27/40/31/1217274031.db2.gz LUUGIRDZVBUFOP-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001041301355 1217274032 /nfs/dbraw/zinc/27/40/32/1217274032.db2.gz LUUGIRDZVBUFOP-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@H]1O)CC2 ZINC001041308583 1217276899 /nfs/dbraw/zinc/27/68/99/1217276899.db2.gz URFYLOHUWCDGRY-DJIMGWMZSA-N 2 2 370.457 0.527 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001041344293 1217288997 /nfs/dbraw/zinc/28/89/97/1217288997.db2.gz SEXFZWZZKVUKDV-FVQBIDKESA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001041344293 1217289001 /nfs/dbraw/zinc/28/90/01/1217289001.db2.gz SEXFZWZZKVUKDV-FVQBIDKESA-N 2 2 361.490 0.916 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001276919779 1225735771 /nfs/dbraw/zinc/73/57/71/1225735771.db2.gz YTARSHGNDCDRLK-INIZCTEOSA-N 2 2 361.490 0.970 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001223911260 1225744670 /nfs/dbraw/zinc/74/46/70/1225744670.db2.gz CCNMEPKQOGOZQY-ZBFHGGJFSA-N 2 2 361.490 0.800 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]2C1 ZINC001223911260 1225744673 /nfs/dbraw/zinc/74/46/73/1225744673.db2.gz CCNMEPKQOGOZQY-ZBFHGGJFSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043679024 1217703273 /nfs/dbraw/zinc/70/32/73/1217703273.db2.gz XIGSWHAZRRTHCP-YESZJQIVSA-N 2 2 359.474 0.912 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043679024 1217703278 /nfs/dbraw/zinc/70/32/78/1217703278.db2.gz XIGSWHAZRRTHCP-YESZJQIVSA-N 2 2 359.474 0.912 20 0 FCADLP Cc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043779168 1217740739 /nfs/dbraw/zinc/74/07/39/1217740739.db2.gz LSXLEVPAAKORQS-YESZJQIVSA-N 2 2 359.474 0.994 20 0 FCADLP Cc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCCC[N@@H+]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043779168 1217740743 /nfs/dbraw/zinc/74/07/43/1217740743.db2.gz LSXLEVPAAKORQS-YESZJQIVSA-N 2 2 359.474 0.994 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001043993200 1217788253 /nfs/dbraw/zinc/78/82/53/1217788253.db2.gz RYQIDDNMAJHDGA-IKGGRYGDSA-N 2 2 361.490 0.942 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001043993200 1217788256 /nfs/dbraw/zinc/78/82/56/1217788256.db2.gz RYQIDDNMAJHDGA-IKGGRYGDSA-N 2 2 361.490 0.942 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001043993098 1217788474 /nfs/dbraw/zinc/78/84/74/1217788474.db2.gz PZAZBPWGQZFTEA-PMPSAXMXSA-N 2 2 361.490 0.888 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001043993098 1217788475 /nfs/dbraw/zinc/78/84/75/1217788475.db2.gz PZAZBPWGQZFTEA-PMPSAXMXSA-N 2 2 361.490 0.888 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224298001 1225771319 /nfs/dbraw/zinc/77/13/19/1225771319.db2.gz KIPJTKVSFRNKOS-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224298001 1225771323 /nfs/dbraw/zinc/77/13/23/1225771323.db2.gz KIPJTKVSFRNKOS-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001096022489 1217923829 /nfs/dbraw/zinc/92/38/29/1217923829.db2.gz UKVJOJWANYXBSR-CBBWQLFWSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001096022489 1217923833 /nfs/dbraw/zinc/92/38/33/1217923833.db2.gz UKVJOJWANYXBSR-CBBWQLFWSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001096022489 1217923837 /nfs/dbraw/zinc/92/38/37/1217923837.db2.gz UKVJOJWANYXBSR-CBBWQLFWSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001096022489 1217923843 /nfs/dbraw/zinc/92/38/43/1217923843.db2.gz UKVJOJWANYXBSR-CBBWQLFWSA-N 2 2 362.474 0.245 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC001045440804 1217929035 /nfs/dbraw/zinc/92/90/35/1217929035.db2.gz PQEJNOWYGJUGMH-QLFBSQMISA-N 2 2 363.510 0.972 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC001045440804 1217929038 /nfs/dbraw/zinc/92/90/38/1217929038.db2.gz PQEJNOWYGJUGMH-QLFBSQMISA-N 2 2 363.510 0.972 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001045476839 1217932069 /nfs/dbraw/zinc/93/20/69/1217932069.db2.gz GDJSFRBFAIJGTI-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001045476839 1217932073 /nfs/dbraw/zinc/93/20/73/1217932073.db2.gz GDJSFRBFAIJGTI-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001045511240 1217935469 /nfs/dbraw/zinc/93/54/69/1217935469.db2.gz HJEJYGIINRHHAO-ZACQAIPSSA-N 2 2 369.506 0.218 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001045561298 1217940963 /nfs/dbraw/zinc/94/09/63/1217940963.db2.gz HWFUJEMPNZXMDJ-RBSFLKMASA-N 2 2 361.490 0.971 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044711 1217953062 /nfs/dbraw/zinc/95/30/62/1217953062.db2.gz YGHSMERBUFCFNH-GFEQUFNTSA-N 2 2 370.497 0.799 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044711 1217953066 /nfs/dbraw/zinc/95/30/66/1217953066.db2.gz YGHSMERBUFCFNH-GFEQUFNTSA-N 2 2 370.497 0.799 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044711 1217953070 /nfs/dbraw/zinc/95/30/70/1217953070.db2.gz YGHSMERBUFCFNH-GFEQUFNTSA-N 2 2 370.497 0.799 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044711 1217953074 /nfs/dbraw/zinc/95/30/74/1217953074.db2.gz YGHSMERBUFCFNH-GFEQUFNTSA-N 2 2 370.497 0.799 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001045849947 1217967392 /nfs/dbraw/zinc/96/73/92/1217967392.db2.gz JBDPFPBGMKATTB-YYIAUSFCSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001045849947 1217967393 /nfs/dbraw/zinc/96/73/93/1217967393.db2.gz JBDPFPBGMKATTB-YYIAUSFCSA-N 2 2 371.485 0.821 20 0 FCADLP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900800077 1218039864 /nfs/dbraw/zinc/03/98/64/1218039864.db2.gz BBRPYOCJVNGTAH-NVXWUHKLSA-N 2 2 360.506 0.198 20 0 FCADLP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900800077 1218039867 /nfs/dbraw/zinc/03/98/67/1218039867.db2.gz BBRPYOCJVNGTAH-NVXWUHKLSA-N 2 2 360.506 0.198 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnc(C)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385211 1218137319 /nfs/dbraw/zinc/13/73/19/1218137319.db2.gz AWSBTKBDHOYXEJ-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnc(C)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001047385211 1218137325 /nfs/dbraw/zinc/13/73/25/1218137325.db2.gz AWSBTKBDHOYXEJ-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cnc(C)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047385211 1218137329 /nfs/dbraw/zinc/13/73/29/1218137329.db2.gz AWSBTKBDHOYXEJ-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047385211 1218137332 /nfs/dbraw/zinc/13/73/32/1218137332.db2.gz AWSBTKBDHOYXEJ-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001047467643 1218149216 /nfs/dbraw/zinc/14/92/16/1218149216.db2.gz JRPDEHPTYFBKQV-OWSLCNJRSA-N 2 2 369.506 0.026 20 0 FCADLP CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001047467643 1218149218 /nfs/dbraw/zinc/14/92/18/1218149218.db2.gz JRPDEHPTYFBKQV-OWSLCNJRSA-N 2 2 369.506 0.026 20 0 FCADLP Cc1nc(NCc2cc(=O)[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)cc[nH+]1 ZINC001048432802 1218266610 /nfs/dbraw/zinc/26/66/10/1218266610.db2.gz VWDMECFKLJSGCU-BXUZGUMPSA-N 2 2 371.445 0.849 20 0 FCADLP Cc1nc(NCc2cc(=O)[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)cc[nH+]1 ZINC001048432802 1218266615 /nfs/dbraw/zinc/26/66/15/1218266615.db2.gz VWDMECFKLJSGCU-BXUZGUMPSA-N 2 2 371.445 0.849 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1[nH+]cnc2c1cnn2C ZINC001048767260 1218313611 /nfs/dbraw/zinc/31/36/11/1218313611.db2.gz PXZLKYYOYVFKAX-LSDHHAIUSA-N 2 2 369.473 0.933 20 0 FCADLP CCCn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828972 1218323461 /nfs/dbraw/zinc/32/34/61/1218323461.db2.gz FFYSENZYKOAPKA-WCXIOVBPSA-N 2 2 360.506 0.919 20 0 FCADLP CCCn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828972 1218323464 /nfs/dbraw/zinc/32/34/64/1218323464.db2.gz FFYSENZYKOAPKA-WCXIOVBPSA-N 2 2 360.506 0.919 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828972 1218323468 /nfs/dbraw/zinc/32/34/68/1218323468.db2.gz FFYSENZYKOAPKA-WCXIOVBPSA-N 2 2 360.506 0.919 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828972 1218323473 /nfs/dbraw/zinc/32/34/73/1218323473.db2.gz FFYSENZYKOAPKA-WCXIOVBPSA-N 2 2 360.506 0.919 20 0 FCADLP Cc1nc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)oc1C ZINC001048890429 1218336781 /nfs/dbraw/zinc/33/67/81/1218336781.db2.gz HMWQHQBQSFFCBH-VDNDLQMASA-N 2 2 362.474 0.901 20 0 FCADLP Cc1nc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)oc1C ZINC001048890429 1218336787 /nfs/dbraw/zinc/33/67/87/1218336787.db2.gz HMWQHQBQSFFCBH-VDNDLQMASA-N 2 2 362.474 0.901 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)oc1C ZINC001048890429 1218336795 /nfs/dbraw/zinc/33/67/95/1218336795.db2.gz HMWQHQBQSFFCBH-VDNDLQMASA-N 2 2 362.474 0.901 20 0 FCADLP Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)oc1C ZINC001048890429 1218336802 /nfs/dbraw/zinc/33/68/02/1218336802.db2.gz HMWQHQBQSFFCBH-VDNDLQMASA-N 2 2 362.474 0.901 20 0 FCADLP Cc1nc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)c(C)o1 ZINC001048891264 1218337095 /nfs/dbraw/zinc/33/70/95/1218337095.db2.gz NAOQBZQJDHMJBN-GMLZMKKNSA-N 2 2 362.474 0.901 20 0 FCADLP Cc1nc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)c(C)o1 ZINC001048891264 1218337101 /nfs/dbraw/zinc/33/71/01/1218337101.db2.gz NAOQBZQJDHMJBN-GMLZMKKNSA-N 2 2 362.474 0.901 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)c(C)o1 ZINC001048891264 1218337108 /nfs/dbraw/zinc/33/71/08/1218337108.db2.gz NAOQBZQJDHMJBN-GMLZMKKNSA-N 2 2 362.474 0.901 20 0 FCADLP Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)c(C)o1 ZINC001048891264 1218337116 /nfs/dbraw/zinc/33/71/16/1218337116.db2.gz NAOQBZQJDHMJBN-GMLZMKKNSA-N 2 2 362.474 0.901 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049068292 1218374680 /nfs/dbraw/zinc/37/46/80/1218374680.db2.gz PFLCIGLDANGYJK-QKPAOTATSA-N 2 2 355.446 0.206 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001049068292 1218374686 /nfs/dbraw/zinc/37/46/86/1218374686.db2.gz PFLCIGLDANGYJK-QKPAOTATSA-N 2 2 355.446 0.206 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903508862 1218431768 /nfs/dbraw/zinc/43/17/68/1218431768.db2.gz XRIRRGMMFCCEGR-QRQLOZEOSA-N 2 2 363.550 0.440 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903508862 1218431778 /nfs/dbraw/zinc/43/17/78/1218431778.db2.gz XRIRRGMMFCCEGR-QRQLOZEOSA-N 2 2 363.550 0.440 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903508862 1218431787 /nfs/dbraw/zinc/43/17/87/1218431787.db2.gz XRIRRGMMFCCEGR-QRQLOZEOSA-N 2 2 363.550 0.440 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001049481396 1218461452 /nfs/dbraw/zinc/46/14/52/1218461452.db2.gz INRXHKXAFVZZHT-KBXIAJHMSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001049481396 1218461453 /nfs/dbraw/zinc/46/14/53/1218461453.db2.gz INRXHKXAFVZZHT-KBXIAJHMSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481396 1218461454 /nfs/dbraw/zinc/46/14/54/1218461454.db2.gz INRXHKXAFVZZHT-KBXIAJHMSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481396 1218461456 /nfs/dbraw/zinc/46/14/56/1218461456.db2.gz INRXHKXAFVZZHT-KBXIAJHMSA-N 2 2 362.478 0.014 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803671338 1218471128 /nfs/dbraw/zinc/47/11/28/1218471128.db2.gz XYUQLZZEDQOVGO-UHFFFAOYSA-N 2 2 366.462 0.360 20 0 FCADLP COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)c(C)n1 ZINC001096543450 1218474241 /nfs/dbraw/zinc/47/42/41/1218474241.db2.gz SFBMLZCNIPWWEY-ORQFMDKSSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)c(C)n1 ZINC001096543450 1218474251 /nfs/dbraw/zinc/47/42/51/1218474251.db2.gz SFBMLZCNIPWWEY-ORQFMDKSSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)c(C)n1 ZINC001096543450 1218474265 /nfs/dbraw/zinc/47/42/65/1218474265.db2.gz SFBMLZCNIPWWEY-ORQFMDKSSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)c(C)n1 ZINC001096543450 1218474268 /nfs/dbraw/zinc/47/42/68/1218474268.db2.gz SFBMLZCNIPWWEY-ORQFMDKSSA-N 2 2 359.474 0.967 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnnn3C)C2)C1=O ZINC001277072118 1225823533 /nfs/dbraw/zinc/82/35/33/1225823533.db2.gz LGAFZTOKHXNPJJ-QGZVFWFLSA-N 2 2 357.418 0.090 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cnnn3C)C2)C1=O ZINC001277072118 1225823537 /nfs/dbraw/zinc/82/35/37/1225823537.db2.gz LGAFZTOKHXNPJJ-QGZVFWFLSA-N 2 2 357.418 0.090 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCn1cncn1 ZINC001049735331 1218541222 /nfs/dbraw/zinc/54/12/22/1218541222.db2.gz HWAZCWQPLYORIZ-QBPKDAKJSA-N 2 2 369.473 0.881 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC001049735331 1218541236 /nfs/dbraw/zinc/54/12/36/1218541236.db2.gz HWAZCWQPLYORIZ-QBPKDAKJSA-N 2 2 369.473 0.881 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001096584835 1218570761 /nfs/dbraw/zinc/57/07/61/1218570761.db2.gz YIZLJNIPDHRAMP-VSZNYVQBSA-N 2 2 361.490 0.671 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001096584835 1218570765 /nfs/dbraw/zinc/57/07/65/1218570765.db2.gz YIZLJNIPDHRAMP-VSZNYVQBSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cn(C)nc2C)C1 ZINC001096584835 1218570768 /nfs/dbraw/zinc/57/07/68/1218570768.db2.gz YIZLJNIPDHRAMP-VSZNYVQBSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cn(C)nc2C)C1 ZINC001096584835 1218570772 /nfs/dbraw/zinc/57/07/72/1218570772.db2.gz YIZLJNIPDHRAMP-VSZNYVQBSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCOC3CCC3)CC2)CC1 ZINC000804009356 1218582606 /nfs/dbraw/zinc/58/26/06/1218582606.db2.gz TUZUNAOCIUGQNS-UHFFFAOYSA-N 2 2 366.506 0.347 20 0 FCADLP Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315407 1218772952 /nfs/dbraw/zinc/77/29/52/1218772952.db2.gz YKBUEVFCYCPTRG-OIISXLGYSA-N 2 2 358.490 0.913 20 0 FCADLP Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315407 1218772956 /nfs/dbraw/zinc/77/29/56/1218772956.db2.gz YKBUEVFCYCPTRG-OIISXLGYSA-N 2 2 358.490 0.913 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097342862 1218783034 /nfs/dbraw/zinc/78/30/34/1218783034.db2.gz BLHBDSGSPVKBMP-LVQVYYBASA-N 2 2 362.474 0.341 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097342862 1218783038 /nfs/dbraw/zinc/78/30/38/1218783038.db2.gz BLHBDSGSPVKBMP-LVQVYYBASA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001097342862 1218783044 /nfs/dbraw/zinc/78/30/44/1218783044.db2.gz BLHBDSGSPVKBMP-LVQVYYBASA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001097342862 1218783051 /nfs/dbraw/zinc/78/30/51/1218783051.db2.gz BLHBDSGSPVKBMP-LVQVYYBASA-N 2 2 362.474 0.341 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444770 1218806550 /nfs/dbraw/zinc/80/65/50/1218806550.db2.gz GYDNKAZNYJULIH-DMRZNYOFSA-N 2 2 367.409 0.475 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444770 1218806552 /nfs/dbraw/zinc/80/65/52/1218806552.db2.gz GYDNKAZNYJULIH-DMRZNYOFSA-N 2 2 367.409 0.475 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507567 1218813348 /nfs/dbraw/zinc/81/33/48/1218813348.db2.gz DPMMILZKVAQOBY-DZUCGIPZSA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507567 1218813349 /nfs/dbraw/zinc/81/33/49/1218813349.db2.gz DPMMILZKVAQOBY-DZUCGIPZSA-N 2 2 368.441 0.866 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453305 1218830477 /nfs/dbraw/zinc/83/04/77/1218830477.db2.gz XVZRDPFXKUYKDY-KFWWJZLASA-N 2 2 365.478 0.040 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453305 1218830478 /nfs/dbraw/zinc/83/04/78/1218830478.db2.gz XVZRDPFXKUYKDY-KFWWJZLASA-N 2 2 365.478 0.040 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894267 1218885790 /nfs/dbraw/zinc/88/57/90/1218885790.db2.gz YGHSMERBUFCFNH-FQBWVUSXSA-N 2 2 370.497 0.799 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894267 1218885791 /nfs/dbraw/zinc/88/57/91/1218885791.db2.gz YGHSMERBUFCFNH-FQBWVUSXSA-N 2 2 370.497 0.799 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894267 1218885792 /nfs/dbraw/zinc/88/57/92/1218885792.db2.gz YGHSMERBUFCFNH-FQBWVUSXSA-N 2 2 370.497 0.799 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097894267 1218885794 /nfs/dbraw/zinc/88/57/94/1218885794.db2.gz YGHSMERBUFCFNH-FQBWVUSXSA-N 2 2 370.497 0.799 20 0 FCADLP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001226799579 1225854476 /nfs/dbraw/zinc/85/44/76/1225854476.db2.gz CPBNEYUKBXMJHW-IIAWOOMASA-N 2 2 364.494 0.993 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055342253 1219030209 /nfs/dbraw/zinc/03/02/09/1219030209.db2.gz XIBZSTWVRACUPY-JFTQMJAMSA-N 2 2 370.501 0.642 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055342253 1219030212 /nfs/dbraw/zinc/03/02/12/1219030212.db2.gz XIBZSTWVRACUPY-JFTQMJAMSA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001055342253 1219030216 /nfs/dbraw/zinc/03/02/16/1219030216.db2.gz XIBZSTWVRACUPY-JFTQMJAMSA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001055342253 1219030218 /nfs/dbraw/zinc/03/02/18/1219030218.db2.gz XIBZSTWVRACUPY-JFTQMJAMSA-N 2 2 370.501 0.642 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227175844 1225865393 /nfs/dbraw/zinc/86/53/93/1225865393.db2.gz ODVBKCHQFYSHOL-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075703 1219143101 /nfs/dbraw/zinc/14/31/01/1219143101.db2.gz ALXRLEALENSXMH-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075703 1219143105 /nfs/dbraw/zinc/14/31/05/1219143105.db2.gz ALXRLEALENSXMH-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075703 1219143110 /nfs/dbraw/zinc/14/31/10/1219143110.db2.gz ALXRLEALENSXMH-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075703 1219143118 /nfs/dbraw/zinc/14/31/18/1219143118.db2.gz ALXRLEALENSXMH-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001227673828 1225881477 /nfs/dbraw/zinc/88/14/77/1225881477.db2.gz UIYPLEVSMOCXEY-MCIONIFRSA-N 2 2 361.446 0.175 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C2)c[nH+]1 ZINC001070216477 1219299181 /nfs/dbraw/zinc/29/91/81/1219299181.db2.gz SKMUQIKIYRMLJY-CVEARBPZSA-N 2 2 357.462 0.970 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070272568 1219341209 /nfs/dbraw/zinc/34/12/09/1219341209.db2.gz SSWVQQHTQOVCTP-IMJJTQAJSA-N 2 2 355.446 0.873 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070284828 1219349644 /nfs/dbraw/zinc/34/96/44/1219349644.db2.gz XDQANJXWRNOBFL-SJORKVTESA-N 2 2 351.414 0.786 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070302658 1219361348 /nfs/dbraw/zinc/36/13/48/1219361348.db2.gz CZGCAZHNKHVYBA-KFWWJZLASA-N 2 2 359.434 0.155 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2n2ccnn2)no1 ZINC001070311126 1219368166 /nfs/dbraw/zinc/36/81/66/1219368166.db2.gz OKHXLOCEUDEEBP-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)co1 ZINC001070327207 1219378383 /nfs/dbraw/zinc/37/83/83/1219378383.db2.gz XTJLRYXRENKTEG-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)co1 ZINC001070327207 1219378387 /nfs/dbraw/zinc/37/83/87/1219378387.db2.gz XTJLRYXRENKTEG-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839758 1225887971 /nfs/dbraw/zinc/88/79/71/1225887971.db2.gz GUMIIJSJGSARFW-HZPDHXFCSA-N 2 2 365.478 0.443 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001227848398 1225888055 /nfs/dbraw/zinc/88/80/55/1225888055.db2.gz MMDKEZPMJJOTJN-ZIAGYGMSSA-N 2 2 360.418 0.917 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001227840055 1225888135 /nfs/dbraw/zinc/88/81/35/1225888135.db2.gz WEYGUQFWSXOKOE-HUUCEWRRSA-N 2 2 358.450 0.812 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)c1cccnc1 ZINC001070334933 1219384389 /nfs/dbraw/zinc/38/43/89/1219384389.db2.gz XEGJPTDNKYTZKI-FGTMMUONSA-N 2 2 369.473 0.728 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070336999 1219385344 /nfs/dbraw/zinc/38/53/44/1219385344.db2.gz HEHKNMBSZSZDOP-SJORKVTESA-N 2 2 369.404 0.856 20 0 FCADLP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001070384645 1219408448 /nfs/dbraw/zinc/40/84/48/1219408448.db2.gz BLJYFGUPEQAPCV-QAPCUYQASA-N 2 2 363.462 0.005 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070475028 1219425554 /nfs/dbraw/zinc/42/55/54/1219425554.db2.gz ADXRLMZPUMHODG-UAGQMJEPSA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070475028 1219425557 /nfs/dbraw/zinc/42/55/57/1219425557.db2.gz ADXRLMZPUMHODG-UAGQMJEPSA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070475239 1219425964 /nfs/dbraw/zinc/42/59/64/1219425964.db2.gz JRIUHKLCWAJEAT-UAGQMJEPSA-N 2 2 358.446 0.587 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070475239 1219425967 /nfs/dbraw/zinc/42/59/67/1219425967.db2.gz JRIUHKLCWAJEAT-UAGQMJEPSA-N 2 2 358.446 0.587 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1)[NH+](C)C ZINC001070505710 1219443420 /nfs/dbraw/zinc/44/34/20/1219443420.db2.gz FHNXYZBHOUQKGL-USXIJHARSA-N 2 2 360.462 0.833 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070555773 1219467776 /nfs/dbraw/zinc/46/77/76/1219467776.db2.gz RRGANTJLELGCHO-VNHYZAJKSA-N 2 2 360.462 0.386 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001070710592 1219536942 /nfs/dbraw/zinc/53/69/42/1219536942.db2.gz ISMIFBZNVYZWDW-BFHYXJOUSA-N 2 2 360.462 0.386 20 0 FCADLP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070927010 1219583134 /nfs/dbraw/zinc/58/31/34/1219583134.db2.gz QAKWYGODNZKHAE-OAGGEKHMSA-N 2 2 361.446 0.789 20 0 FCADLP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070927010 1219583137 /nfs/dbraw/zinc/58/31/37/1219583137.db2.gz QAKWYGODNZKHAE-OAGGEKHMSA-N 2 2 361.446 0.789 20 0 FCADLP CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850445 1219624939 /nfs/dbraw/zinc/62/49/39/1219624939.db2.gz YBJRADNUZHATKY-HZPDHXFCSA-N 2 2 361.490 0.656 20 0 FCADLP CCn1ccnc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850445 1219624942 /nfs/dbraw/zinc/62/49/42/1219624942.db2.gz YBJRADNUZHATKY-HZPDHXFCSA-N 2 2 361.490 0.656 20 0 FCADLP CCn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850445 1219624945 /nfs/dbraw/zinc/62/49/45/1219624945.db2.gz YBJRADNUZHATKY-HZPDHXFCSA-N 2 2 361.490 0.656 20 0 FCADLP CCn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850445 1219624949 /nfs/dbraw/zinc/62/49/49/1219624949.db2.gz YBJRADNUZHATKY-HZPDHXFCSA-N 2 2 361.490 0.656 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCCC1)C2 ZINC001072994426 1219629933 /nfs/dbraw/zinc/62/99/33/1219629933.db2.gz AGMHZAJWGAHAEO-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCCC1)C2 ZINC001072994426 1219629937 /nfs/dbraw/zinc/62/99/37/1219629937.db2.gz AGMHZAJWGAHAEO-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3cnnn3C)CCCO2)CC[N@@H+]1C ZINC001073605912 1219672227 /nfs/dbraw/zinc/67/22/27/1219672227.db2.gz YOGZCXKYXXLCFT-YESZJQIVSA-N 2 2 364.494 0.253 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3cnnn3C)CCCO2)CC[N@H+]1C ZINC001073605912 1219672228 /nfs/dbraw/zinc/67/22/28/1219672228.db2.gz YOGZCXKYXXLCFT-YESZJQIVSA-N 2 2 364.494 0.253 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3cnnn3C)CCCO2)CC[NH+]1C ZINC001073605912 1219672233 /nfs/dbraw/zinc/67/22/33/1219672233.db2.gz YOGZCXKYXXLCFT-YESZJQIVSA-N 2 2 364.494 0.253 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3cnnn3C)CCCO2)CC[NH+]1C ZINC001073605912 1219672235 /nfs/dbraw/zinc/67/22/35/1219672235.db2.gz YOGZCXKYXXLCFT-YESZJQIVSA-N 2 2 364.494 0.253 20 0 FCADLP CCn1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001073610808 1219672689 /nfs/dbraw/zinc/67/26/89/1219672689.db2.gz FAJKQVOXEPRUOE-BPQIPLTHSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001073610808 1219672690 /nfs/dbraw/zinc/67/26/90/1219672690.db2.gz FAJKQVOXEPRUOE-BPQIPLTHSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001073610808 1219672695 /nfs/dbraw/zinc/67/26/95/1219672695.db2.gz FAJKQVOXEPRUOE-BPQIPLTHSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001073610808 1219672697 /nfs/dbraw/zinc/67/26/97/1219672697.db2.gz FAJKQVOXEPRUOE-BPQIPLTHSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3cccnc3)CCCO2)O1 ZINC001073660352 1219675755 /nfs/dbraw/zinc/67/57/55/1219675755.db2.gz BLRHFLLGTOGCCM-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3cccnc3)CCCO2)O1 ZINC001073660352 1219675761 /nfs/dbraw/zinc/67/57/61/1219675761.db2.gz BLRHFLLGTOGCCM-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](Cc3cccnc3)CCCO2)O1 ZINC001073660352 1219675763 /nfs/dbraw/zinc/67/57/63/1219675763.db2.gz BLRHFLLGTOGCCM-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3cccnc3)CCCO2)O1 ZINC001073660352 1219675767 /nfs/dbraw/zinc/67/57/67/1219675767.db2.gz BLRHFLLGTOGCCM-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP Cc1ncoc1C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660840 1219676522 /nfs/dbraw/zinc/67/65/22/1219676522.db2.gz QCFMYEBRPKCRKH-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660840 1219676525 /nfs/dbraw/zinc/67/65/25/1219676525.db2.gz QCFMYEBRPKCRKH-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660840 1219676528 /nfs/dbraw/zinc/67/65/28/1219676528.db2.gz QCFMYEBRPKCRKH-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660840 1219676531 /nfs/dbraw/zinc/67/65/31/1219676531.db2.gz QCFMYEBRPKCRKH-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001098401806 1219773946 /nfs/dbraw/zinc/77/39/46/1219773946.db2.gz PXCGXCCCCYKJJM-BDXSIMOUSA-N 2 2 360.502 0.957 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001098401806 1219773953 /nfs/dbraw/zinc/77/39/53/1219773953.db2.gz PXCGXCCCCYKJJM-BDXSIMOUSA-N 2 2 360.502 0.957 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001098898826 1219856487 /nfs/dbraw/zinc/85/64/87/1219856487.db2.gz PDMPLBKWOQTLGG-CAUGKJMWSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001098898826 1219856489 /nfs/dbraw/zinc/85/64/89/1219856489.db2.gz PDMPLBKWOQTLGG-CAUGKJMWSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898826 1219856494 /nfs/dbraw/zinc/85/64/94/1219856494.db2.gz PDMPLBKWOQTLGG-CAUGKJMWSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898826 1219856496 /nfs/dbraw/zinc/85/64/96/1219856496.db2.gz PDMPLBKWOQTLGG-CAUGKJMWSA-N 2 2 373.501 0.975 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029786 1219892623 /nfs/dbraw/zinc/89/26/23/1219892623.db2.gz MLNXGOWPOGBRMG-VCBZYWHSSA-N 2 2 359.474 0.471 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029786 1219892627 /nfs/dbraw/zinc/89/26/27/1219892627.db2.gz MLNXGOWPOGBRMG-VCBZYWHSSA-N 2 2 359.474 0.471 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCc1ccnn1C)C2 ZINC001099120514 1219920807 /nfs/dbraw/zinc/92/08/07/1219920807.db2.gz CHHFOIUDPXAIGW-KXBFYZLASA-N 2 2 356.474 0.910 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCc1ccnn1C)C2 ZINC001099120514 1219920811 /nfs/dbraw/zinc/92/08/11/1219920811.db2.gz CHHFOIUDPXAIGW-KXBFYZLASA-N 2 2 356.474 0.910 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099160947 1219936286 /nfs/dbraw/zinc/93/62/86/1219936286.db2.gz XEZWPWPLJSHEIG-GLJUWKHASA-N 2 2 362.478 0.558 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099160947 1219936289 /nfs/dbraw/zinc/93/62/89/1219936289.db2.gz XEZWPWPLJSHEIG-GLJUWKHASA-N 2 2 362.478 0.558 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160947 1219936292 /nfs/dbraw/zinc/93/62/92/1219936292.db2.gz XEZWPWPLJSHEIG-GLJUWKHASA-N 2 2 362.478 0.558 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160947 1219936294 /nfs/dbraw/zinc/93/62/94/1219936294.db2.gz XEZWPWPLJSHEIG-GLJUWKHASA-N 2 2 362.478 0.558 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099163252 1219937574 /nfs/dbraw/zinc/93/75/74/1219937574.db2.gz OCNLXEHZRKOMNV-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099163252 1219937579 /nfs/dbraw/zinc/93/75/79/1219937579.db2.gz OCNLXEHZRKOMNV-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001099541215 1220027987 /nfs/dbraw/zinc/02/79/87/1220027987.db2.gz NVRKPZITPADDLS-FCEWJHQRSA-N 2 2 369.473 0.880 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801182 1225951349 /nfs/dbraw/zinc/95/13/49/1225951349.db2.gz UWFCGOSZYVDYSG-NUEKZKHPSA-N 2 2 365.478 0.510 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267408 1220256610 /nfs/dbraw/zinc/25/66/10/1220256610.db2.gz CUVKJWOYYYXSGT-CLCXKQKWSA-N 2 2 359.474 0.677 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267408 1220256614 /nfs/dbraw/zinc/25/66/14/1220256614.db2.gz CUVKJWOYYYXSGT-CLCXKQKWSA-N 2 2 359.474 0.677 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101275838 1220261763 /nfs/dbraw/zinc/26/17/63/1220261763.db2.gz YIFPJSAOYDKLRP-MDZRGWNJSA-N 2 2 361.490 0.997 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101275838 1220261769 /nfs/dbraw/zinc/26/17/69/1220261769.db2.gz YIFPJSAOYDKLRP-MDZRGWNJSA-N 2 2 361.490 0.997 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)n1cc[nH+]c1 ZINC001228852005 1225958114 /nfs/dbraw/zinc/95/81/14/1225958114.db2.gz FLQQGPAAYXBULA-ARFHVFGLSA-N 2 2 362.478 0.876 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101299966 1220276424 /nfs/dbraw/zinc/27/64/24/1220276424.db2.gz BDUZCTJFZZELJK-APWZRJJASA-N 2 2 361.490 0.888 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101299966 1220276432 /nfs/dbraw/zinc/27/64/32/1220276432.db2.gz BDUZCTJFZZELJK-APWZRJJASA-N 2 2 361.490 0.888 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001101317318 1220285333 /nfs/dbraw/zinc/28/53/33/1220285333.db2.gz UHEPLLLJQKJONN-APWZRJJASA-N 2 2 359.474 0.580 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001101317318 1220285335 /nfs/dbraw/zinc/28/53/35/1220285335.db2.gz UHEPLLLJQKJONN-APWZRJJASA-N 2 2 359.474 0.580 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367689 1220305185 /nfs/dbraw/zinc/30/51/85/1220305185.db2.gz GRIFDBAZFMXJPI-NLDJYOPPSA-N 2 2 373.501 0.829 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367689 1220305190 /nfs/dbraw/zinc/30/51/90/1220305190.db2.gz GRIFDBAZFMXJPI-NLDJYOPPSA-N 2 2 373.501 0.829 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC001101375355 1220308107 /nfs/dbraw/zinc/30/81/07/1220308107.db2.gz OSMFKMPOOLVSTL-AYBZRNKSSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC001101375355 1220308110 /nfs/dbraw/zinc/30/81/10/1220308110.db2.gz OSMFKMPOOLVSTL-AYBZRNKSSA-N 2 2 362.474 0.928 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375577 1220308982 /nfs/dbraw/zinc/30/89/82/1220308982.db2.gz ZIGOHPLNCGSABL-CLCXKQKWSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375577 1220308985 /nfs/dbraw/zinc/30/89/85/1220308985.db2.gz ZIGOHPLNCGSABL-CLCXKQKWSA-N 2 2 361.490 0.893 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101417539 1220331671 /nfs/dbraw/zinc/33/16/71/1220331671.db2.gz SFPXEJJGBHOHRH-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101417539 1220331672 /nfs/dbraw/zinc/33/16/72/1220331672.db2.gz SFPXEJJGBHOHRH-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101417539 1220331674 /nfs/dbraw/zinc/33/16/74/1220331674.db2.gz SFPXEJJGBHOHRH-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101417539 1220331676 /nfs/dbraw/zinc/33/16/76/1220331676.db2.gz SFPXEJJGBHOHRH-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430000 1220339459 /nfs/dbraw/zinc/33/94/59/1220339459.db2.gz JXBUHSIRVITRAW-CLCXKQKWSA-N 2 2 361.490 0.658 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430000 1220339463 /nfs/dbraw/zinc/33/94/63/1220339463.db2.gz JXBUHSIRVITRAW-CLCXKQKWSA-N 2 2 361.490 0.658 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101438557 1220345313 /nfs/dbraw/zinc/34/53/13/1220345313.db2.gz FWLNQUQLBXDZAE-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101438557 1220345315 /nfs/dbraw/zinc/34/53/15/1220345315.db2.gz FWLNQUQLBXDZAE-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101438557 1220345320 /nfs/dbraw/zinc/34/53/20/1220345320.db2.gz FWLNQUQLBXDZAE-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101438557 1220345323 /nfs/dbraw/zinc/34/53/23/1220345323.db2.gz FWLNQUQLBXDZAE-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487961 1220371024 /nfs/dbraw/zinc/37/10/24/1220371024.db2.gz CXALHGKQUCKENW-FCEWJHQRSA-N 2 2 361.490 0.920 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487961 1220371028 /nfs/dbraw/zinc/37/10/28/1220371028.db2.gz CXALHGKQUCKENW-FCEWJHQRSA-N 2 2 361.490 0.920 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488237 1220373177 /nfs/dbraw/zinc/37/31/77/1220373177.db2.gz SURVDGJLIHNJFZ-LMMKCTJWSA-N 2 2 364.490 0.697 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488237 1220373179 /nfs/dbraw/zinc/37/31/79/1220373179.db2.gz SURVDGJLIHNJFZ-LMMKCTJWSA-N 2 2 364.490 0.697 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986989 1220453866 /nfs/dbraw/zinc/45/38/66/1220453866.db2.gz SYILULPPOCDWJT-IIAWOOMASA-N 2 2 361.490 0.710 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986989 1220453869 /nfs/dbraw/zinc/45/38/69/1220453869.db2.gz SYILULPPOCDWJT-IIAWOOMASA-N 2 2 361.490 0.710 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177290 1220536931 /nfs/dbraw/zinc/53/69/31/1220536931.db2.gz QTGYXFXHLIUYGC-OAGGEKHMSA-N 2 2 371.489 0.816 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177290 1220536934 /nfs/dbraw/zinc/53/69/34/1220536934.db2.gz QTGYXFXHLIUYGC-OAGGEKHMSA-N 2 2 371.489 0.816 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330449 1220585129 /nfs/dbraw/zinc/58/51/29/1220585129.db2.gz VYVOUOSUGKYXLE-BFYDXBDKSA-N 2 2 365.526 0.853 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330449 1220585133 /nfs/dbraw/zinc/58/51/33/1220585133.db2.gz VYVOUOSUGKYXLE-BFYDXBDKSA-N 2 2 365.526 0.853 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369900 1220595803 /nfs/dbraw/zinc/59/58/03/1220595803.db2.gz JWIHBTMULNAJMA-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369900 1220595805 /nfs/dbraw/zinc/59/58/05/1220595805.db2.gz JWIHBTMULNAJMA-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369900 1220595810 /nfs/dbraw/zinc/59/58/10/1220595810.db2.gz JWIHBTMULNAJMA-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369900 1220595814 /nfs/dbraw/zinc/59/58/14/1220595814.db2.gz JWIHBTMULNAJMA-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406188 1220612793 /nfs/dbraw/zinc/61/27/93/1220612793.db2.gz GPPAZKDXNATRKY-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406188 1220612796 /nfs/dbraw/zinc/61/27/96/1220612796.db2.gz GPPAZKDXNATRKY-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479737 1220646629 /nfs/dbraw/zinc/64/66/29/1220646629.db2.gz FCKKYDUXMDNLGG-BZUAXINKSA-N 2 2 363.510 0.687 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479737 1220646631 /nfs/dbraw/zinc/64/66/31/1220646631.db2.gz FCKKYDUXMDNLGG-BZUAXINKSA-N 2 2 363.510 0.687 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102512779 1220671180 /nfs/dbraw/zinc/67/11/80/1220671180.db2.gz CVJLKCMNQBKJRP-RHSMWYFYSA-N 2 2 369.469 0.946 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102512779 1220671184 /nfs/dbraw/zinc/67/11/84/1220671184.db2.gz CVJLKCMNQBKJRP-RHSMWYFYSA-N 2 2 369.469 0.946 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513480 1220672478 /nfs/dbraw/zinc/67/24/78/1220672478.db2.gz MHKHPIYZHOQCPA-RBSFLKMASA-N 2 2 357.462 0.426 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513480 1220672481 /nfs/dbraw/zinc/67/24/81/1220672481.db2.gz MHKHPIYZHOQCPA-RBSFLKMASA-N 2 2 357.462 0.426 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102525155 1220680580 /nfs/dbraw/zinc/68/05/80/1220680580.db2.gz NQXHDTBMWGKLAC-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102525155 1220680584 /nfs/dbraw/zinc/68/05/84/1220680584.db2.gz NQXHDTBMWGKLAC-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102525155 1220680589 /nfs/dbraw/zinc/68/05/89/1220680589.db2.gz NQXHDTBMWGKLAC-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102525155 1220680592 /nfs/dbraw/zinc/68/05/92/1220680592.db2.gz NQXHDTBMWGKLAC-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102532375 1220684446 /nfs/dbraw/zinc/68/44/46/1220684446.db2.gz IZNVMQSPKKLIBP-TZMCWYRMSA-N 2 2 361.446 0.094 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001102532375 1220684448 /nfs/dbraw/zinc/68/44/48/1220684448.db2.gz IZNVMQSPKKLIBP-TZMCWYRMSA-N 2 2 361.446 0.094 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)nn1 ZINC001102532175 1220684829 /nfs/dbraw/zinc/68/48/29/1220684829.db2.gz YBTZLVJLQZJRBS-TZMCWYRMSA-N 2 2 358.446 0.944 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)nn1 ZINC001102532175 1220684835 /nfs/dbraw/zinc/68/48/35/1220684835.db2.gz YBTZLVJLQZJRBS-TZMCWYRMSA-N 2 2 358.446 0.944 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538596 1220687636 /nfs/dbraw/zinc/68/76/36/1220687636.db2.gz KAGOAZLVEZCWII-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538596 1220687639 /nfs/dbraw/zinc/68/76/39/1220687639.db2.gz KAGOAZLVEZCWII-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102602712 1220724980 /nfs/dbraw/zinc/72/49/80/1220724980.db2.gz AWTGJEUORLDBOU-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102602712 1220724985 /nfs/dbraw/zinc/72/49/85/1220724985.db2.gz AWTGJEUORLDBOU-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102611927 1220730017 /nfs/dbraw/zinc/73/00/17/1220730017.db2.gz YEMTUUMOBCDEPT-HZPDHXFCSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102611927 1220730024 /nfs/dbraw/zinc/73/00/24/1220730024.db2.gz YEMTUUMOBCDEPT-HZPDHXFCSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616100 1220734845 /nfs/dbraw/zinc/73/48/45/1220734845.db2.gz INKDOUDOVMHDFB-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616100 1220734851 /nfs/dbraw/zinc/73/48/51/1220734851.db2.gz INKDOUDOVMHDFB-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616807 1220736800 /nfs/dbraw/zinc/73/68/00/1220736800.db2.gz SSRNYTQSSARZRN-QLFBSQMISA-N 2 2 371.445 0.384 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616807 1220736807 /nfs/dbraw/zinc/73/68/07/1220736807.db2.gz SSRNYTQSSARZRN-QLFBSQMISA-N 2 2 371.445 0.384 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819366 1220791574 /nfs/dbraw/zinc/79/15/74/1220791574.db2.gz RJOXMAKVBHAULS-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819366 1220791584 /nfs/dbraw/zinc/79/15/84/1220791584.db2.gz RJOXMAKVBHAULS-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819366 1220791594 /nfs/dbraw/zinc/79/15/94/1220791594.db2.gz RJOXMAKVBHAULS-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819366 1220791602 /nfs/dbraw/zinc/79/16/02/1220791602.db2.gz RJOXMAKVBHAULS-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnn(C)n3)C[C@H]2C)CC[N@@H+]1C ZINC001103004922 1220818827 /nfs/dbraw/zinc/81/88/27/1220818827.db2.gz GAGJGAXTIYKREU-LVQVYYBASA-N 2 2 363.510 0.515 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnn(C)n3)C[C@H]2C)CC[N@H+]1C ZINC001103004922 1220818829 /nfs/dbraw/zinc/81/88/29/1220818829.db2.gz GAGJGAXTIYKREU-LVQVYYBASA-N 2 2 363.510 0.515 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nnn(C)n3)C[C@H]2C)CC[NH+]1C ZINC001103004922 1220818832 /nfs/dbraw/zinc/81/88/32/1220818832.db2.gz GAGJGAXTIYKREU-LVQVYYBASA-N 2 2 363.510 0.515 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nnn(C)n3)C[C@H]2C)CC[NH+]1C ZINC001103004922 1220818833 /nfs/dbraw/zinc/81/88/33/1220818833.db2.gz GAGJGAXTIYKREU-LVQVYYBASA-N 2 2 363.510 0.515 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103105209 1220834006 /nfs/dbraw/zinc/83/40/06/1220834006.db2.gz JQVLOEJDZGISQS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103105209 1220834008 /nfs/dbraw/zinc/83/40/08/1220834008.db2.gz JQVLOEJDZGISQS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001103105209 1220834009 /nfs/dbraw/zinc/83/40/09/1220834009.db2.gz JQVLOEJDZGISQS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001103105209 1220834014 /nfs/dbraw/zinc/83/40/14/1220834014.db2.gz JQVLOEJDZGISQS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001103162950 1220842567 /nfs/dbraw/zinc/84/25/67/1220842567.db2.gz QUESVNGFXRRFLF-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001103162950 1220842568 /nfs/dbraw/zinc/84/25/68/1220842568.db2.gz QUESVNGFXRRFLF-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258559 1220857453 /nfs/dbraw/zinc/85/74/53/1220857453.db2.gz GDNNESRPMPKMNF-HZPDHXFCSA-N 2 2 363.506 0.952 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258559 1220857458 /nfs/dbraw/zinc/85/74/58/1220857458.db2.gz GDNNESRPMPKMNF-HZPDHXFCSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001103376445 1220873597 /nfs/dbraw/zinc/87/35/97/1220873597.db2.gz ATUXBAURHDYQSB-YRGRVCCFSA-N 2 2 361.450 0.389 20 0 FCADLP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001103376445 1220873602 /nfs/dbraw/zinc/87/36/02/1220873602.db2.gz ATUXBAURHDYQSB-YRGRVCCFSA-N 2 2 361.450 0.389 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472429 1220888341 /nfs/dbraw/zinc/88/83/41/1220888341.db2.gz SGWIULRNCBTDGC-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472429 1220888343 /nfs/dbraw/zinc/88/83/43/1220888343.db2.gz SGWIULRNCBTDGC-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103572595 1220904840 /nfs/dbraw/zinc/90/48/40/1220904840.db2.gz BHUPVMUEBHYMJS-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103572595 1220904843 /nfs/dbraw/zinc/90/48/43/1220904843.db2.gz BHUPVMUEBHYMJS-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740525 1220957912 /nfs/dbraw/zinc/95/79/12/1220957912.db2.gz KWXNVLOEQYXMQP-FVQBIDKESA-N 2 2 364.494 0.408 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740525 1220957917 /nfs/dbraw/zinc/95/79/17/1220957917.db2.gz KWXNVLOEQYXMQP-FVQBIDKESA-N 2 2 364.494 0.408 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740525 1220957921 /nfs/dbraw/zinc/95/79/21/1220957921.db2.gz KWXNVLOEQYXMQP-FVQBIDKESA-N 2 2 364.494 0.408 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740525 1220957924 /nfs/dbraw/zinc/95/79/24/1220957924.db2.gz KWXNVLOEQYXMQP-FVQBIDKESA-N 2 2 364.494 0.408 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742819 1220959890 /nfs/dbraw/zinc/95/98/90/1220959890.db2.gz XHLBQMYAOINTDV-BMFZPTHFSA-N 2 2 365.478 0.673 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742819 1220959893 /nfs/dbraw/zinc/95/98/93/1220959893.db2.gz XHLBQMYAOINTDV-BMFZPTHFSA-N 2 2 365.478 0.673 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742819 1220959896 /nfs/dbraw/zinc/95/98/96/1220959896.db2.gz XHLBQMYAOINTDV-BMFZPTHFSA-N 2 2 365.478 0.673 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742819 1220959899 /nfs/dbraw/zinc/95/98/99/1220959899.db2.gz XHLBQMYAOINTDV-BMFZPTHFSA-N 2 2 365.478 0.673 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742820 1220960971 /nfs/dbraw/zinc/96/09/71/1220960971.db2.gz XHLBQMYAOINTDV-FVQBIDKESA-N 2 2 365.478 0.673 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742820 1220960974 /nfs/dbraw/zinc/96/09/74/1220960974.db2.gz XHLBQMYAOINTDV-FVQBIDKESA-N 2 2 365.478 0.673 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742820 1220960979 /nfs/dbraw/zinc/96/09/79/1220960979.db2.gz XHLBQMYAOINTDV-FVQBIDKESA-N 2 2 365.478 0.673 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001103742820 1220960980 /nfs/dbraw/zinc/96/09/80/1220960980.db2.gz XHLBQMYAOINTDV-FVQBIDKESA-N 2 2 365.478 0.673 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678554 1221062221 /nfs/dbraw/zinc/06/22/21/1221062221.db2.gz KECCMEPTKZCMSP-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678554 1221062224 /nfs/dbraw/zinc/06/22/24/1221062224.db2.gz KECCMEPTKZCMSP-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678554 1221062227 /nfs/dbraw/zinc/06/22/27/1221062227.db2.gz KECCMEPTKZCMSP-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678554 1221062229 /nfs/dbraw/zinc/06/22/29/1221062229.db2.gz KECCMEPTKZCMSP-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111731661 1221079673 /nfs/dbraw/zinc/07/96/73/1221079673.db2.gz HPVHIPUTUOWJDA-KXBFYZLASA-N 2 2 359.474 0.839 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111731661 1221079676 /nfs/dbraw/zinc/07/96/76/1221079676.db2.gz HPVHIPUTUOWJDA-KXBFYZLASA-N 2 2 359.474 0.839 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C)nn1)C2 ZINC001111767311 1221098151 /nfs/dbraw/zinc/09/81/51/1221098151.db2.gz XWMZHFPFGBUSNG-ZVZYQTTQSA-N 2 2 366.485 0.966 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C)nn1)C2 ZINC001111767311 1221098154 /nfs/dbraw/zinc/09/81/54/1221098154.db2.gz XWMZHFPFGBUSNG-ZVZYQTTQSA-N 2 2 366.485 0.966 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792864 1221111796 /nfs/dbraw/zinc/11/17/96/1221111796.db2.gz RKNSXAFOPIQEQX-DOXZYTNZSA-N 2 2 359.474 0.552 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792864 1221111798 /nfs/dbraw/zinc/11/17/98/1221111798.db2.gz RKNSXAFOPIQEQX-DOXZYTNZSA-N 2 2 359.474 0.552 20 0 FCADLP O=C(CC[NH+]1CCC2(CNC(=O)O2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000782004955 1221122793 /nfs/dbraw/zinc/12/27/93/1221122793.db2.gz VORDCTFXQIXOIK-UHFFFAOYSA-N 2 2 373.457 0.695 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001111824976 1221127221 /nfs/dbraw/zinc/12/72/21/1221127221.db2.gz GBYSEUZIJLDHPF-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001111824976 1221127227 /nfs/dbraw/zinc/12/72/27/1221127227.db2.gz GBYSEUZIJLDHPF-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852428 1221136247 /nfs/dbraw/zinc/13/62/47/1221136247.db2.gz SXYSMGZBZCTGFK-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852428 1221136250 /nfs/dbraw/zinc/13/62/50/1221136250.db2.gz SXYSMGZBZCTGFK-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001111852428 1221136251 /nfs/dbraw/zinc/13/62/51/1221136251.db2.gz SXYSMGZBZCTGFK-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001111852428 1221136253 /nfs/dbraw/zinc/13/62/53/1221136253.db2.gz SXYSMGZBZCTGFK-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855876 1221138823 /nfs/dbraw/zinc/13/88/23/1221138823.db2.gz QHQQBHDHKPKBIX-GLJUWKHASA-N 2 2 361.494 0.584 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855876 1221138825 /nfs/dbraw/zinc/13/88/25/1221138825.db2.gz QHQQBHDHKPKBIX-GLJUWKHASA-N 2 2 361.494 0.584 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001111874060 1221145099 /nfs/dbraw/zinc/14/50/99/1221145099.db2.gz LBTITAODPNQDIP-PXNSSMCTSA-N 2 2 358.486 0.617 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001111874060 1221145103 /nfs/dbraw/zinc/14/51/03/1221145103.db2.gz LBTITAODPNQDIP-PXNSSMCTSA-N 2 2 358.486 0.617 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001111874060 1221145106 /nfs/dbraw/zinc/14/51/06/1221145106.db2.gz LBTITAODPNQDIP-PXNSSMCTSA-N 2 2 358.486 0.617 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001111874060 1221145108 /nfs/dbraw/zinc/14/51/08/1221145108.db2.gz LBTITAODPNQDIP-PXNSSMCTSA-N 2 2 358.486 0.617 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902555 1221159053 /nfs/dbraw/zinc/15/90/53/1221159053.db2.gz ICYVSGFYAAKPQV-YJBOKZPZSA-N 2 2 362.478 0.008 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902555 1221159058 /nfs/dbraw/zinc/15/90/58/1221159058.db2.gz ICYVSGFYAAKPQV-YJBOKZPZSA-N 2 2 362.478 0.008 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938015 1221179210 /nfs/dbraw/zinc/17/92/10/1221179210.db2.gz HOAZRTXJQUNDFT-DOXZYTNZSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938015 1221179214 /nfs/dbraw/zinc/17/92/14/1221179214.db2.gz HOAZRTXJQUNDFT-DOXZYTNZSA-N 2 2 361.490 0.848 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4(COC(=O)N4)CC3)C2)CC1 ZINC000784331104 1221239531 /nfs/dbraw/zinc/23/95/31/1221239531.db2.gz ZCPPQQLNBAFNBF-AWEZNQCLSA-N 2 2 365.478 0.439 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(COC(=O)N4)CC3)C2)CC1 ZINC000784331104 1221239535 /nfs/dbraw/zinc/23/95/35/1221239535.db2.gz ZCPPQQLNBAFNBF-AWEZNQCLSA-N 2 2 365.478 0.439 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2)NC1CC1 ZINC001112331292 1221239767 /nfs/dbraw/zinc/23/97/67/1221239767.db2.gz HHJGLSJAVPUXDZ-LIRRHRJNSA-N 2 2 359.474 0.839 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001112438612 1221259424 /nfs/dbraw/zinc/25/94/24/1221259424.db2.gz HTRMDMVIBPYKDT-VCBZYWHSSA-N 2 2 359.474 0.410 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001112440583 1221259484 /nfs/dbraw/zinc/25/94/84/1221259484.db2.gz WNKKPKSJXSNHAV-VCBZYWHSSA-N 2 2 359.474 0.410 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683200 1226027663 /nfs/dbraw/zinc/02/76/63/1226027663.db2.gz RCXRZUHXUTWVBD-GVDBMIGSSA-N 2 2 368.478 0.004 20 0 FCADLP COCC[NH+]1CCN(c2ccnc(N3CC[NH+](CCOC)CC3)n2)CC1 ZINC000798189993 1221281884 /nfs/dbraw/zinc/28/18/84/1221281884.db2.gz CISVEJWDXQLPBP-UHFFFAOYSA-N 2 2 364.494 0.013 20 0 FCADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001117355734 1221530105 /nfs/dbraw/zinc/53/01/05/1221530105.db2.gz DBXOSDJBUVIQHZ-CVEARBPZSA-N 2 2 359.474 0.719 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118107587 1221711469 /nfs/dbraw/zinc/71/14/69/1221711469.db2.gz UMPDAHDGSLKYQE-LAVFITLUSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118107587 1221711471 /nfs/dbraw/zinc/71/14/71/1221711471.db2.gz UMPDAHDGSLKYQE-LAVFITLUSA-N 2 2 362.518 0.918 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC001118125263 1221715974 /nfs/dbraw/zinc/71/59/74/1221715974.db2.gz RXSHCKOPIJLDHX-UHFFFAOYSA-N 2 2 352.402 0.179 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC001119010571 1221855104 /nfs/dbraw/zinc/85/51/04/1221855104.db2.gz LMRIIBAGIINRMZ-INIZCTEOSA-N 2 2 360.506 0.405 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001119377961 1221910041 /nfs/dbraw/zinc/91/00/41/1221910041.db2.gz WIJQLXNMHRCDLT-MOPGFXCFSA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001119377961 1221910044 /nfs/dbraw/zinc/91/00/44/1221910044.db2.gz WIJQLXNMHRCDLT-MOPGFXCFSA-N 2 2 360.502 0.908 20 0 FCADLP COc1cccc2c1CC[C@]2([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001121981737 1222229657 /nfs/dbraw/zinc/22/96/57/1222229657.db2.gz AIKIZUTVARVZTD-LJQANCHMSA-N 2 2 360.458 0.076 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122051254 1222237537 /nfs/dbraw/zinc/23/75/37/1222237537.db2.gz ZZTBMPYTSZKPGN-SFHVURJKSA-N 2 2 359.474 0.193 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001122205100 1222251273 /nfs/dbraw/zinc/25/12/73/1222251273.db2.gz CAJQFJKBTSEONM-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(CO)n3CCOC)CC2)CC1 ZINC001122334341 1222265029 /nfs/dbraw/zinc/26/50/29/1222265029.db2.gz NQTRUIZUOFMYOD-UHFFFAOYSA-N 2 2 366.510 0.413 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(CO)n3CCOC)CC2)CC1 ZINC001122334341 1222265032 /nfs/dbraw/zinc/26/50/32/1222265032.db2.gz NQTRUIZUOFMYOD-UHFFFAOYSA-N 2 2 366.510 0.413 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123693422 1222349630 /nfs/dbraw/zinc/34/96/30/1222349630.db2.gz ABNSLPQDDCBJCM-KSZLIROESA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123693422 1222349638 /nfs/dbraw/zinc/34/96/38/1222349638.db2.gz ABNSLPQDDCBJCM-KSZLIROESA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001123693426 1222349846 /nfs/dbraw/zinc/34/98/46/1222349846.db2.gz ABNSLPQDDCBJCM-KURKYZTESA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123693426 1222349852 /nfs/dbraw/zinc/34/98/52/1222349852.db2.gz ABNSLPQDDCBJCM-KURKYZTESA-N 2 2 367.538 0.375 20 0 FCADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1 ZINC001231700575 1226117979 /nfs/dbraw/zinc/11/79/79/1226117979.db2.gz GAOKEUPKQBSEDN-UHFFFAOYSA-N 2 2 363.462 0.652 20 0 FCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465409 1222509598 /nfs/dbraw/zinc/50/95/98/1222509598.db2.gz LQTCAHYKUFUQAH-GOSISDBHSA-N 2 2 366.462 0.757 20 0 FCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465409 1222509603 /nfs/dbraw/zinc/50/96/03/1222509603.db2.gz LQTCAHYKUFUQAH-GOSISDBHSA-N 2 2 366.462 0.757 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465409 1222509608 /nfs/dbraw/zinc/50/96/08/1222509608.db2.gz LQTCAHYKUFUQAH-GOSISDBHSA-N 2 2 366.462 0.757 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465409 1222509614 /nfs/dbraw/zinc/50/96/14/1222509614.db2.gz LQTCAHYKUFUQAH-GOSISDBHSA-N 2 2 366.462 0.757 20 0 FCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465415 1222509730 /nfs/dbraw/zinc/50/97/30/1222509730.db2.gz LQTCAHYKUFUQAH-SFHVURJKSA-N 2 2 366.462 0.757 20 0 FCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465415 1222509734 /nfs/dbraw/zinc/50/97/34/1222509734.db2.gz LQTCAHYKUFUQAH-SFHVURJKSA-N 2 2 366.462 0.757 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465415 1222509736 /nfs/dbraw/zinc/50/97/36/1222509736.db2.gz LQTCAHYKUFUQAH-SFHVURJKSA-N 2 2 366.462 0.757 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC001138465415 1222509740 /nfs/dbraw/zinc/50/97/40/1222509740.db2.gz LQTCAHYKUFUQAH-SFHVURJKSA-N 2 2 366.462 0.757 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc4ccnn43)CC[C@@H]2C1 ZINC001138805470 1222525821 /nfs/dbraw/zinc/52/58/21/1222525821.db2.gz ONRSQEFFXSNCHA-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc4ccnn43)CC[C@@H]2C1 ZINC001138805470 1222525827 /nfs/dbraw/zinc/52/58/27/1222525827.db2.gz ONRSQEFFXSNCHA-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc4ccnn43)CC[C@@H]2C1 ZINC001138805470 1222525831 /nfs/dbraw/zinc/52/58/31/1222525831.db2.gz ONRSQEFFXSNCHA-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc4ccnn43)CC[C@@H]2C1 ZINC001138805470 1222525834 /nfs/dbraw/zinc/52/58/34/1222525834.db2.gz ONRSQEFFXSNCHA-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN1CCN(C2C[NH+](Cc3ccccc3N3CC[NH+](C)CC3)C2)CC1=O ZINC001140971422 1222626319 /nfs/dbraw/zinc/62/63/19/1222626319.db2.gz VECDUBRMNYBWPK-UHFFFAOYSA-N 2 2 357.502 0.397 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000842057230 1222834142 /nfs/dbraw/zinc/83/41/42/1222834142.db2.gz HYWHIINGSZXYJU-MRXNPFEDSA-N 2 2 355.442 0.947 20 0 FCADLP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)CCN1CC[NH+](C)CC1)C2 ZINC001143225297 1222870783 /nfs/dbraw/zinc/87/07/83/1222870783.db2.gz XSXHBKOLSDZWAD-UHFFFAOYSA-N 2 2 362.522 0.772 20 0 FCADLP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)CCN1CC[NH+](C)CC1)C2 ZINC001143225297 1222870787 /nfs/dbraw/zinc/87/07/87/1222870787.db2.gz XSXHBKOLSDZWAD-UHFFFAOYSA-N 2 2 362.522 0.772 20 0 FCADLP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)CC[NH+]1CCN(C)CC1)C2 ZINC001143225297 1222870789 /nfs/dbraw/zinc/87/07/89/1222870789.db2.gz XSXHBKOLSDZWAD-UHFFFAOYSA-N 2 2 362.522 0.772 20 0 FCADLP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)CC[NH+]1CCN(C)CC1)C2 ZINC001143225297 1222870792 /nfs/dbraw/zinc/87/07/92/1222870792.db2.gz XSXHBKOLSDZWAD-UHFFFAOYSA-N 2 2 362.522 0.772 20 0 FCADLP C[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)CC1 ZINC001143230025 1222871549 /nfs/dbraw/zinc/87/15/49/1222871549.db2.gz BGUWWYVSODRAAE-RBUKOAKNSA-N 2 2 357.502 0.894 20 0 FCADLP C[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)CC1 ZINC001143230025 1222871550 /nfs/dbraw/zinc/87/15/50/1222871550.db2.gz BGUWWYVSODRAAE-RBUKOAKNSA-N 2 2 357.502 0.894 20 0 FCADLP CN1CC[NH+](CCC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)CC1 ZINC001143230025 1222871551 /nfs/dbraw/zinc/87/15/51/1222871551.db2.gz BGUWWYVSODRAAE-RBUKOAKNSA-N 2 2 357.502 0.894 20 0 FCADLP CN1CC[NH+](CCC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)CC1 ZINC001143230025 1222871552 /nfs/dbraw/zinc/87/15/52/1222871552.db2.gz BGUWWYVSODRAAE-RBUKOAKNSA-N 2 2 357.502 0.894 20 0 FCADLP COC(=O)c1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC001232771599 1226168282 /nfs/dbraw/zinc/16/82/82/1226168282.db2.gz GSPJHZZTBQLHSO-UHFFFAOYSA-N 2 2 360.458 0.854 20 0 FCADLP C(Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001155515289 1223037649 /nfs/dbraw/zinc/03/76/49/1223037649.db2.gz BQYUUNMMPCCYMO-KSSFIOAISA-N 2 2 359.478 0.142 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]cn1 ZINC001155602937 1223039896 /nfs/dbraw/zinc/03/98/96/1223039896.db2.gz STUDABVYKJPVDH-GLJUWKHASA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC001155602937 1223039900 /nfs/dbraw/zinc/03/99/00/1223039900.db2.gz STUDABVYKJPVDH-GLJUWKHASA-N 2 2 360.462 0.501 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000977804450 1248650970 /nfs/dbraw/zinc/65/09/70/1248650970.db2.gz DEIPZIPIDOUWOI-BHYGNILZSA-N 2 2 361.490 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000977804450 1248650984 /nfs/dbraw/zinc/65/09/84/1248650984.db2.gz DEIPZIPIDOUWOI-BHYGNILZSA-N 2 2 361.490 0.752 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C ZINC001157083903 1223067142 /nfs/dbraw/zinc/06/71/42/1223067142.db2.gz WQPCCBFPKRCLAT-STQMWFEESA-N 2 2 368.434 0.320 20 0 FCADLP CCOC(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1C(=O)OCC ZINC001157914307 1223083988 /nfs/dbraw/zinc/08/39/88/1223083988.db2.gz BADXTELJGSZXFQ-UHFFFAOYSA-N 2 2 364.406 0.424 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001158000258 1223086284 /nfs/dbraw/zinc/08/62/84/1223086284.db2.gz XASVSADZLQEASS-HZPDHXFCSA-N 2 2 362.474 0.246 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001157999050 1223086332 /nfs/dbraw/zinc/08/63/32/1223086332.db2.gz NKWGGVMVSQSXMP-GDBMZVCRSA-N 2 2 364.446 0.107 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(CN4C(=O)CCC4=O)cn3)CC2)C1 ZINC001158261631 1223092522 /nfs/dbraw/zinc/09/25/22/1223092522.db2.gz NWYXDIKSKGUPCR-OAHLLOKOSA-N 2 2 357.458 0.732 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(CN4C(=O)CCC4=O)cn3)CC2)C1 ZINC001158261631 1223092523 /nfs/dbraw/zinc/09/25/23/1223092523.db2.gz NWYXDIKSKGUPCR-OAHLLOKOSA-N 2 2 357.458 0.732 20 0 FCADLP CCc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001158261663 1223092591 /nfs/dbraw/zinc/09/25/91/1223092591.db2.gz ONSANSLHKKRMAP-OAHLLOKOSA-N 3 2 360.506 0.877 20 0 FCADLP CCc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001158261663 1223092594 /nfs/dbraw/zinc/09/25/94/1223092594.db2.gz ONSANSLHKKRMAP-OAHLLOKOSA-N 3 2 360.506 0.877 20 0 FCADLP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001158415773 1223097193 /nfs/dbraw/zinc/09/71/93/1223097193.db2.gz OHEQGSDRIVQUHR-FRQCXROJSA-N 2 2 361.442 0.829 20 0 FCADLP O=C(N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158672049 1223104892 /nfs/dbraw/zinc/10/48/92/1223104892.db2.gz NVXAMHPQQWSMKN-IPLXSBJHSA-N 2 2 372.469 0.308 20 0 FCADLP O=C(N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158672052 1223104927 /nfs/dbraw/zinc/10/49/27/1223104927.db2.gz NVXAMHPQQWSMKN-WRMBXCAGSA-N 2 2 372.469 0.308 20 0 FCADLP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821582 1223110556 /nfs/dbraw/zinc/11/05/56/1223110556.db2.gz MZNIUOTVBPBFPS-AWEZNQCLSA-N 2 2 355.402 0.108 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)cc1 ZINC001158968032 1223114085 /nfs/dbraw/zinc/11/40/85/1223114085.db2.gz JYGJTSNFKZBPCN-ZACQAIPSSA-N 2 2 368.441 0.165 20 0 FCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001159074423 1223116946 /nfs/dbraw/zinc/11/69/46/1223116946.db2.gz BDKYROHBBZASGU-JTDSTZFVSA-N 2 2 369.506 0.875 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001159077447 1223117398 /nfs/dbraw/zinc/11/73/98/1223117398.db2.gz PHEYIQUWVBCILH-TXPKVOOTSA-N 2 2 367.490 0.759 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cc1 ZINC001159273658 1223122603 /nfs/dbraw/zinc/12/26/03/1223122603.db2.gz SRXCJJSQDCGHDA-ZACQAIPSSA-N 2 2 368.441 0.165 20 0 FCADLP Cc1noc([C@]23COC[C@H]2CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C3)n1 ZINC001159470736 1223127996 /nfs/dbraw/zinc/12/79/96/1223127996.db2.gz AGLOLCRFFQDPQB-RVKKMQEKSA-N 2 2 357.414 0.377 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159677439 1223133631 /nfs/dbraw/zinc/13/36/31/1223133631.db2.gz IYWYABFVOBLHMI-INIZCTEOSA-N 2 2 360.458 0.658 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159701825 1223134547 /nfs/dbraw/zinc/13/45/47/1223134547.db2.gz ZXFHZKNKBILROV-IRXDYDNUSA-N 2 2 367.453 0.802 20 0 FCADLP [NH3+]C1(C(=O)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC[NH2+]CC1 ZINC001159701170 1223134567 /nfs/dbraw/zinc/13/45/67/1223134567.db2.gz WEGLNTBPMGWUAD-OWCLPIDISA-N 2 2 360.458 0.547 20 0 FCADLP C[NH+]1CCN(c2cccc(N[C@@H](Cc3ccc(O)cc3)C(O)O)[nH+]2)CC1 ZINC001159736922 1223134976 /nfs/dbraw/zinc/13/49/76/1223134976.db2.gz GDONNFVAZWGUNI-INIZCTEOSA-N 2 2 358.442 0.873 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159701826 1223135202 /nfs/dbraw/zinc/13/52/02/1223135202.db2.gz ZXFHZKNKBILROV-SJORKVTESA-N 2 2 367.453 0.802 20 0 FCADLP CN1Cc2ccccc2CC2(CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)C1=O ZINC001159799537 1223137041 /nfs/dbraw/zinc/13/70/41/1223137041.db2.gz RPBROFWFCFTVFD-SJORKVTESA-N 2 2 356.470 0.499 20 0 FCADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)CNCC[NH3+])C2 ZINC001160034818 1223142880 /nfs/dbraw/zinc/14/28/80/1223142880.db2.gz HJJBPTNCTULQSH-UHFFFAOYSA-N 2 2 354.458 0.682 20 0 FCADLP Cc1ccc(N(C(=O)[C@@H]2COCC[NH2+]2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054173 1223143537 /nfs/dbraw/zinc/14/35/37/1223143537.db2.gz YHCOEDBGFLWKFL-MPGHIAIKSA-N 2 2 361.446 0.018 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086034 1223144586 /nfs/dbraw/zinc/14/45/86/1223144586.db2.gz QNHBGFPNWAYACK-GPMSIDNRSA-N 2 2 368.441 0.230 20 0 FCADLP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001160326219 1223154879 /nfs/dbraw/zinc/15/48/79/1223154879.db2.gz PHTWUHWGZQREQD-HUUCEWRRSA-N 2 2 373.461 0.516 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCc1ccco1 ZINC001160337254 1223156106 /nfs/dbraw/zinc/15/61/06/1223156106.db2.gz XXOJHPAAJYHBNG-NWANDNLSSA-N 2 2 359.430 0.907 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)NCc1ccco1 ZINC001160337254 1223156107 /nfs/dbraw/zinc/15/61/07/1223156107.db2.gz XXOJHPAAJYHBNG-NWANDNLSSA-N 2 2 359.430 0.907 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001160382754 1223156320 /nfs/dbraw/zinc/15/63/20/1223156320.db2.gz UAIXMRSYEHTBKR-HNNXBMFYSA-N 2 2 374.493 0.154 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001160382754 1223156323 /nfs/dbraw/zinc/15/63/23/1223156323.db2.gz UAIXMRSYEHTBKR-HNNXBMFYSA-N 2 2 374.493 0.154 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001160424385 1223159003 /nfs/dbraw/zinc/15/90/03/1223159003.db2.gz SKVVLPSXUDZSMX-XFUTXVRSSA-N 3 2 357.502 0.687 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001160424385 1223159006 /nfs/dbraw/zinc/15/90/06/1223159006.db2.gz SKVVLPSXUDZSMX-XFUTXVRSSA-N 3 2 357.502 0.687 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001160695518 1223168454 /nfs/dbraw/zinc/16/84/54/1223168454.db2.gz FQXJLCLXBZRZBQ-OAHLLOKOSA-N 2 2 358.446 0.939 20 0 FCADLP CCOC(=O)c1cnc2n1CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)CC2 ZINC001160806666 1223174522 /nfs/dbraw/zinc/17/45/22/1223174522.db2.gz WPPICXTUQYDMNY-HNNXBMFYSA-N 2 2 371.441 0.717 20 0 FCADLP [NH3+][C@H](CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C(=O)OCc1ccccc1 ZINC001160999831 1223182513 /nfs/dbraw/zinc/18/25/13/1223182513.db2.gz LRBYQEGBHSMBNE-CVEARBPZSA-N 2 2 361.442 0.163 20 0 FCADLP C[C@@H]1CCN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160959849 1223182739 /nfs/dbraw/zinc/18/27/39/1223182739.db2.gz XNYYOMDQDASCKM-HIFRSBDPSA-N 3 2 359.478 0.570 20 0 FCADLP CC1(C)N(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[C@@]12c1ccccc1OC2=O ZINC001161161661 1223188181 /nfs/dbraw/zinc/18/81/81/1223188181.db2.gz XCOXYVKXXWXEKC-CWVNLOTRSA-N 2 2 355.438 0.806 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161239127 1223191018 /nfs/dbraw/zinc/19/10/18/1223191018.db2.gz XDSMLKDCCFLXLR-OXFYSEKESA-N 2 2 372.469 0.028 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161239127 1223191020 /nfs/dbraw/zinc/19/10/20/1223191020.db2.gz XDSMLKDCCFLXLR-OXFYSEKESA-N 2 2 372.469 0.028 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161239123 1223191140 /nfs/dbraw/zinc/19/11/40/1223191140.db2.gz XDSMLKDCCFLXLR-KNBMTAEXSA-N 2 2 372.469 0.028 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161239123 1223191143 /nfs/dbraw/zinc/19/11/43/1223191143.db2.gz XDSMLKDCCFLXLR-KNBMTAEXSA-N 2 2 372.469 0.028 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253639 1223192988 /nfs/dbraw/zinc/19/29/88/1223192988.db2.gz WEPLIOWXIVUZAK-HZPDHXFCSA-N 2 2 359.474 0.750 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253639 1223192991 /nfs/dbraw/zinc/19/29/91/1223192991.db2.gz WEPLIOWXIVUZAK-HZPDHXFCSA-N 2 2 359.474 0.750 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001161306779 1223194947 /nfs/dbraw/zinc/19/49/47/1223194947.db2.gz YXUWLSHKNIBTOT-SJLPKXTDSA-N 2 2 373.501 0.813 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC2)cc[nH+]1 ZINC001161306813 1223195307 /nfs/dbraw/zinc/19/53/07/1223195307.db2.gz ZVWIIPLRPFFLDO-INIZCTEOSA-N 3 2 359.474 0.613 20 0 FCADLP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378740 1223197053 /nfs/dbraw/zinc/19/70/53/1223197053.db2.gz MINCSDMAGZSBJA-MOPGFXCFSA-N 3 2 360.502 0.945 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3O[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001161381890 1223197849 /nfs/dbraw/zinc/19/78/49/1223197849.db2.gz QQUZROOFRVBPRV-HZPDHXFCSA-N 3 2 359.474 0.460 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC001161473105 1223200091 /nfs/dbraw/zinc/20/00/91/1223200091.db2.gz ULTPCNSAHZWLSS-GJZGRUSLSA-N 2 2 359.478 0.169 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC001161473105 1223200094 /nfs/dbraw/zinc/20/00/94/1223200094.db2.gz ULTPCNSAHZWLSS-GJZGRUSLSA-N 2 2 359.478 0.169 20 0 FCADLP O=C(NCCC[NH2+]Cc1ccccn1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995854 1223223149 /nfs/dbraw/zinc/22/31/49/1223223149.db2.gz GTVAPGSYVHXYLD-MSOLQXFVSA-N 2 2 362.474 0.557 20 0 FCADLP O=C(NCCC[NH2+]CC[C@H]1CCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996035 1223223397 /nfs/dbraw/zinc/22/33/97/1223223397.db2.gz JWYRDWSRFINGMS-KURKYZTESA-N 2 2 369.506 0.531 20 0 FCADLP C[NH+]1CCN(c2nccc(N3CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C3)n2)CC1 ZINC001163123392 1223226687 /nfs/dbraw/zinc/22/66/87/1223226687.db2.gz FRQAERDHFVBYAZ-OAHLLOKOSA-N 2 2 362.478 0.334 20 0 FCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ccc(OC3CC[NH2+]CC3)nn2)cn1 ZINC001163416740 1223229749 /nfs/dbraw/zinc/22/97/49/1223229749.db2.gz WIPFFQBSSCSNHJ-AWEZNQCLSA-N 2 2 360.418 0.226 20 0 FCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cccc(N3CC[NH+](C)CC3)n2)cn1 ZINC001163410852 1223229774 /nfs/dbraw/zinc/22/97/74/1223229774.db2.gz AJEBNAQOLZNDSW-HNNXBMFYSA-N 2 2 358.446 0.452 20 0 FCADLP CN1CCN(C2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)CC1=O ZINC001165112191 1223242152 /nfs/dbraw/zinc/24/21/52/1223242152.db2.gz JSAYCDZJMMIVJL-UHFFFAOYSA-N 2 2 359.474 0.517 20 0 FCADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001165311675 1223244275 /nfs/dbraw/zinc/24/42/75/1223244275.db2.gz RESGTSPRUHURFH-UHFFFAOYSA-N 2 2 356.434 0.004 20 0 FCADLP [NH3+]Cc1cc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)ncn1 ZINC001165959076 1223263404 /nfs/dbraw/zinc/26/34/04/1223263404.db2.gz DIRFXAMHHXELBS-UHFFFAOYSA-N 2 2 352.402 0.147 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001205488035 1223327521 /nfs/dbraw/zinc/32/75/21/1223327521.db2.gz ZACBXCDHVYWORU-HUUCEWRRSA-N 2 2 360.462 0.367 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001205488035 1223327525 /nfs/dbraw/zinc/32/75/25/1223327525.db2.gz ZACBXCDHVYWORU-HUUCEWRRSA-N 2 2 360.462 0.367 20 0 FCADLP Cc1ncc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1C ZINC001206792756 1223370270 /nfs/dbraw/zinc/37/02/70/1223370270.db2.gz HQFVKLULKGCSIM-UHFFFAOYSA-N 2 2 355.490 0.871 20 0 FCADLP Cc1ncc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1C ZINC001206792756 1223370274 /nfs/dbraw/zinc/37/02/74/1223370274.db2.gz HQFVKLULKGCSIM-UHFFFAOYSA-N 2 2 355.490 0.871 20 0 FCADLP CC(C)(CN1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1)[NH+]1CCOCC1 ZINC001207302122 1223433783 /nfs/dbraw/zinc/43/37/83/1223433783.db2.gz GOQQQDLWWPTLPI-DLBZAZTESA-N 2 2 361.490 0.725 20 0 FCADLP CC(C)(CN1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1)[NH+]1CCOCC1 ZINC001207302122 1223433788 /nfs/dbraw/zinc/43/37/88/1223433788.db2.gz GOQQQDLWWPTLPI-DLBZAZTESA-N 2 2 361.490 0.725 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435004 1223446863 /nfs/dbraw/zinc/44/68/63/1223446863.db2.gz CSCRHDIKIDUNFA-UHFFFAOYSA-N 3 2 360.506 0.165 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435004 1223446864 /nfs/dbraw/zinc/44/68/64/1223446864.db2.gz CSCRHDIKIDUNFA-UHFFFAOYSA-N 3 2 360.506 0.165 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001207790436 1223479790 /nfs/dbraw/zinc/47/97/90/1223479790.db2.gz TVEFEELIRSEXLD-MLGOLLRUSA-N 2 2 363.462 0.313 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001207790436 1223479793 /nfs/dbraw/zinc/47/97/93/1223479793.db2.gz TVEFEELIRSEXLD-MLGOLLRUSA-N 2 2 363.462 0.313 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208066249 1223512244 /nfs/dbraw/zinc/51/22/44/1223512244.db2.gz QYNUABZULUWCIE-BZUAXINKSA-N 2 2 359.474 0.481 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001208530083 1223553240 /nfs/dbraw/zinc/55/32/40/1223553240.db2.gz DZYHHIOUBRBRHY-QGPMSJSTSA-N 2 2 364.490 0.919 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001208530083 1223553245 /nfs/dbraw/zinc/55/32/45/1223553245.db2.gz DZYHHIOUBRBRHY-QGPMSJSTSA-N 2 2 364.490 0.919 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208591174 1223561437 /nfs/dbraw/zinc/56/14/37/1223561437.db2.gz RFQNNLJRWAFILN-RBSFLKMASA-N 2 2 367.494 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208591174 1223561441 /nfs/dbraw/zinc/56/14/41/1223561441.db2.gz RFQNNLJRWAFILN-RBSFLKMASA-N 2 2 367.494 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208591174 1223561443 /nfs/dbraw/zinc/56/14/43/1223561443.db2.gz RFQNNLJRWAFILN-RBSFLKMASA-N 2 2 367.494 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208591174 1223561448 /nfs/dbraw/zinc/56/14/48/1223561448.db2.gz RFQNNLJRWAFILN-RBSFLKMASA-N 2 2 367.494 0.001 20 0 FCADLP CO[C@@H]1CCN(CC[NH+]2CCOCC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001209290436 1223608577 /nfs/dbraw/zinc/60/85/77/1223608577.db2.gz QOMZXSIEVCYGPM-XUVXKRRUSA-N 2 2 360.502 0.935 20 0 FCADLP CO[C@@H]1CCN(CC[NH+]2CCOCC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001209290436 1223608579 /nfs/dbraw/zinc/60/85/79/1223608579.db2.gz QOMZXSIEVCYGPM-XUVXKRRUSA-N 2 2 360.502 0.935 20 0 FCADLP Nc1cc[nH+]cc1CN1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209730449 1223645457 /nfs/dbraw/zinc/64/54/57/1223645457.db2.gz KWQUZPWCXXOBSR-UHFFFAOYSA-N 2 2 351.414 0.702 20 0 FCADLP C[NH+]1CCN(c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ncn2)CC1 ZINC001210262686 1223679413 /nfs/dbraw/zinc/67/94/13/1223679413.db2.gz NECBXKLVXKPGKJ-UHFFFAOYSA-N 3 2 354.462 0.777 20 0 FCADLP C[NH+]1CCN(c2cc(Nc3ccnc(N4CC[NH2+]CC4)c3)ncn2)CC1 ZINC001210262686 1223679421 /nfs/dbraw/zinc/67/94/21/1223679421.db2.gz NECBXKLVXKPGKJ-UHFFFAOYSA-N 2 2 354.462 0.777 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512873 1223694686 /nfs/dbraw/zinc/69/46/86/1223694686.db2.gz CEJKDJVPJJMUSE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512873 1223694689 /nfs/dbraw/zinc/69/46/89/1223694689.db2.gz CEJKDJVPJJMUSE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512873 1223694690 /nfs/dbraw/zinc/69/46/90/1223694690.db2.gz CEJKDJVPJJMUSE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512873 1223694693 /nfs/dbraw/zinc/69/46/93/1223694693.db2.gz CEJKDJVPJJMUSE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210513893 1223694997 /nfs/dbraw/zinc/69/49/97/1223694997.db2.gz OODRRRRYLXTYLP-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210513893 1223694999 /nfs/dbraw/zinc/69/49/99/1223694999.db2.gz OODRRRRYLXTYLP-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210513893 1223695001 /nfs/dbraw/zinc/69/50/01/1223695001.db2.gz OODRRRRYLXTYLP-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001210513893 1223695003 /nfs/dbraw/zinc/69/50/03/1223695003.db2.gz OODRRRRYLXTYLP-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054416 1223722230 /nfs/dbraw/zinc/72/22/30/1223722230.db2.gz NPRPIAPNEGDEON-IXDOHACOSA-N 2 2 368.522 0.260 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054416 1223722233 /nfs/dbraw/zinc/72/22/33/1223722233.db2.gz NPRPIAPNEGDEON-IXDOHACOSA-N 2 2 368.522 0.260 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276693905 1223723315 /nfs/dbraw/zinc/72/33/15/1223723315.db2.gz OUMQNBBOJVPQKE-CRAIPNDOSA-N 2 2 362.430 0.177 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276693905 1223723316 /nfs/dbraw/zinc/72/33/16/1223723316.db2.gz OUMQNBBOJVPQKE-CRAIPNDOSA-N 2 2 362.430 0.177 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367033 1223737795 /nfs/dbraw/zinc/73/77/95/1223737795.db2.gz MYOZFKNMPYQZLA-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367033 1223737797 /nfs/dbraw/zinc/73/77/97/1223737797.db2.gz MYOZFKNMPYQZLA-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211367033 1223737801 /nfs/dbraw/zinc/73/78/01/1223737801.db2.gz MYOZFKNMPYQZLA-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211367033 1223737802 /nfs/dbraw/zinc/73/78/02/1223737802.db2.gz MYOZFKNMPYQZLA-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451946 1223743480 /nfs/dbraw/zinc/74/34/80/1223743480.db2.gz MCKRBVUZBFJJBC-JFIYKMOQSA-N 2 2 358.442 0.760 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451946 1223743483 /nfs/dbraw/zinc/74/34/83/1223743483.db2.gz MCKRBVUZBFJJBC-JFIYKMOQSA-N 2 2 358.442 0.760 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450401 1223743735 /nfs/dbraw/zinc/74/37/35/1223743735.db2.gz XWTZITLYWCNZOJ-NVXWUHKLSA-N 2 2 365.478 0.253 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450401 1223743736 /nfs/dbraw/zinc/74/37/36/1223743736.db2.gz XWTZITLYWCNZOJ-NVXWUHKLSA-N 2 2 365.478 0.253 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001213151524 1223759137 /nfs/dbraw/zinc/75/91/37/1223759137.db2.gz RQGADYFQBNHEII-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001213151524 1223759142 /nfs/dbraw/zinc/75/91/42/1223759142.db2.gz RQGADYFQBNHEII-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CCC1 ZINC001213204382 1223767652 /nfs/dbraw/zinc/76/76/52/1223767652.db2.gz HYQSPZMBRGYGLZ-BRWVUGGUSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CCC1 ZINC001213204382 1223767654 /nfs/dbraw/zinc/76/76/54/1223767654.db2.gz HYQSPZMBRGYGLZ-BRWVUGGUSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CCC1 ZINC001213204383 1223767818 /nfs/dbraw/zinc/76/78/18/1223767818.db2.gz HYQSPZMBRGYGLZ-IXDOHACOSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CCC1 ZINC001213204383 1223767820 /nfs/dbraw/zinc/76/78/20/1223767820.db2.gz HYQSPZMBRGYGLZ-IXDOHACOSA-N 2 2 364.490 0.983 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219398 1223770476 /nfs/dbraw/zinc/77/04/76/1223770476.db2.gz QMJGTKFNGDEVPT-BRWVUGGUSA-N 2 2 368.522 0.720 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219398 1223770481 /nfs/dbraw/zinc/77/04/81/1223770481.db2.gz QMJGTKFNGDEVPT-BRWVUGGUSA-N 2 2 368.522 0.720 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219398 1223770484 /nfs/dbraw/zinc/77/04/84/1223770484.db2.gz QMJGTKFNGDEVPT-BRWVUGGUSA-N 2 2 368.522 0.720 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219398 1223770485 /nfs/dbraw/zinc/77/04/85/1223770485.db2.gz QMJGTKFNGDEVPT-BRWVUGGUSA-N 2 2 368.522 0.720 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213338024 1223787553 /nfs/dbraw/zinc/78/75/53/1223787553.db2.gz NNFXVILBAUJZAZ-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213338024 1223787554 /nfs/dbraw/zinc/78/75/54/1223787554.db2.gz NNFXVILBAUJZAZ-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348464 1223789539 /nfs/dbraw/zinc/78/95/39/1223789539.db2.gz MMIDFXFMBBXGRR-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348464 1223789543 /nfs/dbraw/zinc/78/95/43/1223789543.db2.gz MMIDFXFMBBXGRR-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374551 1223791596 /nfs/dbraw/zinc/79/15/96/1223791596.db2.gz LUANLEAEGKBJGU-GVDBMIGSSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374551 1223791598 /nfs/dbraw/zinc/79/15/98/1223791598.db2.gz LUANLEAEGKBJGU-GVDBMIGSSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374476 1223791911 /nfs/dbraw/zinc/79/19/11/1223791911.db2.gz IPCVWMDAVQTTOM-BRWVUGGUSA-N 2 2 371.428 0.765 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374476 1223791915 /nfs/dbraw/zinc/79/19/15/1223791915.db2.gz IPCVWMDAVQTTOM-BRWVUGGUSA-N 2 2 371.428 0.765 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001213442044 1223799419 /nfs/dbraw/zinc/79/94/19/1223799419.db2.gz KCFOPNFPZUBRGP-IAGOWNOFSA-N 2 2 366.462 0.736 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001213442044 1223799421 /nfs/dbraw/zinc/79/94/21/1223799421.db2.gz KCFOPNFPZUBRGP-IAGOWNOFSA-N 2 2 366.462 0.736 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502429 1223806475 /nfs/dbraw/zinc/80/64/75/1223806475.db2.gz GIOICOGHSODULT-HZPDHXFCSA-N 2 2 368.478 0.485 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001213502429 1223806478 /nfs/dbraw/zinc/80/64/78/1223806478.db2.gz GIOICOGHSODULT-HZPDHXFCSA-N 2 2 368.478 0.485 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213571989 1223815816 /nfs/dbraw/zinc/81/58/16/1223815816.db2.gz HDSFJTBJAICWAD-IAGOWNOFSA-N 2 2 360.462 0.684 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213571989 1223815818 /nfs/dbraw/zinc/81/58/18/1223815818.db2.gz HDSFJTBJAICWAD-IAGOWNOFSA-N 2 2 360.462 0.684 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578465 1223817214 /nfs/dbraw/zinc/81/72/14/1223817214.db2.gz QFGXDISMXNSMRQ-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578465 1223817217 /nfs/dbraw/zinc/81/72/17/1223817217.db2.gz QFGXDISMXNSMRQ-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001213588781 1223819346 /nfs/dbraw/zinc/81/93/46/1223819346.db2.gz SZEVVVCQVRKQTG-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001213588781 1223819347 /nfs/dbraw/zinc/81/93/47/1223819347.db2.gz SZEVVVCQVRKQTG-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001213588781 1223819351 /nfs/dbraw/zinc/81/93/51/1223819351.db2.gz SZEVVVCQVRKQTG-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001213588781 1223819352 /nfs/dbraw/zinc/81/93/52/1223819352.db2.gz SZEVVVCQVRKQTG-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213676292 1223831510 /nfs/dbraw/zinc/83/15/10/1223831510.db2.gz ZRPIYCYOLFOBTC-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213676292 1223831511 /nfs/dbraw/zinc/83/15/11/1223831511.db2.gz ZRPIYCYOLFOBTC-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213676292 1223831513 /nfs/dbraw/zinc/83/15/13/1223831513.db2.gz ZRPIYCYOLFOBTC-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213676292 1223831516 /nfs/dbraw/zinc/83/15/16/1223831516.db2.gz ZRPIYCYOLFOBTC-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)C[C@H]1OC ZINC001213713039 1223837505 /nfs/dbraw/zinc/83/75/05/1223837505.db2.gz LHNSDIBGHUWJAQ-IAGOWNOFSA-N 2 2 370.538 0.840 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)C[C@H]1OC ZINC001213713039 1223837507 /nfs/dbraw/zinc/83/75/07/1223837507.db2.gz LHNSDIBGHUWJAQ-IAGOWNOFSA-N 2 2 370.538 0.840 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728546 1223839994 /nfs/dbraw/zinc/83/99/94/1223839994.db2.gz MQPYPPGBMUFMPN-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728546 1223839997 /nfs/dbraw/zinc/83/99/97/1223839997.db2.gz MQPYPPGBMUFMPN-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747549 1223843041 /nfs/dbraw/zinc/84/30/41/1223843041.db2.gz MCGIKSZKBGCMHY-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747549 1223843042 /nfs/dbraw/zinc/84/30/42/1223843042.db2.gz MCGIKSZKBGCMHY-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747167 1223843092 /nfs/dbraw/zinc/84/30/92/1223843092.db2.gz FFFUWRQQYHCCRQ-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747167 1223843093 /nfs/dbraw/zinc/84/30/93/1223843093.db2.gz FFFUWRQQYHCCRQ-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP O=C1CC[C@@H](CN2C(=O)C[C@]3(CCC[N@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704871 1223843759 /nfs/dbraw/zinc/84/37/59/1223843759.db2.gz JDJQPUSXGXWSTQ-KSSFIOAISA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@@H](CN2C(=O)C[C@]3(CCC[N@@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704871 1223843762 /nfs/dbraw/zinc/84/37/62/1223843762.db2.gz JDJQPUSXGXWSTQ-KSSFIOAISA-N 2 2 359.430 0.003 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753198 1223844208 /nfs/dbraw/zinc/84/42/08/1223844208.db2.gz CKCUASVPPFGCNN-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753198 1223844211 /nfs/dbraw/zinc/84/42/11/1223844211.db2.gz CKCUASVPPFGCNN-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754295 1223844925 /nfs/dbraw/zinc/84/49/25/1223844925.db2.gz XGELKLWGMAQLSE-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754295 1223844926 /nfs/dbraw/zinc/84/49/26/1223844926.db2.gz XGELKLWGMAQLSE-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213757447 1223845480 /nfs/dbraw/zinc/84/54/80/1223845480.db2.gz JRPYGTWYMMAUHQ-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213757447 1223845482 /nfs/dbraw/zinc/84/54/82/1223845482.db2.gz JRPYGTWYMMAUHQ-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213757447 1223845483 /nfs/dbraw/zinc/84/54/83/1223845483.db2.gz JRPYGTWYMMAUHQ-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213757447 1223845485 /nfs/dbraw/zinc/84/54/85/1223845485.db2.gz JRPYGTWYMMAUHQ-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916706 1223871504 /nfs/dbraw/zinc/87/15/04/1223871504.db2.gz FWNIDOVXYXQYMS-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916706 1223871505 /nfs/dbraw/zinc/87/15/05/1223871505.db2.gz FWNIDOVXYXQYMS-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001214757271 1223939036 /nfs/dbraw/zinc/93/90/36/1223939036.db2.gz GSRNBERQRMLVMD-HZSPNIEDSA-N 2 2 371.457 0.832 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001214757076 1223939150 /nfs/dbraw/zinc/93/91/50/1223939150.db2.gz AKAVPHJXHJCFEU-MGPQQGTHSA-N 2 2 370.473 0.752 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)C2 ZINC001215006706 1223963560 /nfs/dbraw/zinc/96/35/60/1223963560.db2.gz ZTKAPPUYNBNZSV-SUYBPPKGSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)CC2 ZINC001215006706 1223963563 /nfs/dbraw/zinc/96/35/63/1223963563.db2.gz ZTKAPPUYNBNZSV-SUYBPPKGSA-N 2 2 361.490 0.784 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008657 1223963728 /nfs/dbraw/zinc/96/37/28/1223963728.db2.gz WIWLFARPWBSHCU-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH2+]CCOCCO ZINC001215255005 1223985709 /nfs/dbraw/zinc/98/57/09/1223985709.db2.gz TYBDQIAWRLFREC-CRAIPNDOSA-N 2 2 358.442 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001215558343 1224006651 /nfs/dbraw/zinc/00/66/51/1224006651.db2.gz QLIQLZMREHKNRD-VQIMIIECSA-N 2 2 370.501 0.926 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001215558343 1224006652 /nfs/dbraw/zinc/00/66/52/1224006652.db2.gz QLIQLZMREHKNRD-VQIMIIECSA-N 2 2 370.501 0.926 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001215681111 1224012379 /nfs/dbraw/zinc/01/23/79/1224012379.db2.gz SMADSUSPIOBUOL-MBNYWOFBSA-N 2 2 357.418 0.206 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001215684750 1224012672 /nfs/dbraw/zinc/01/26/72/1224012672.db2.gz AMCYZESXNTWLKT-XJKCOSOUSA-N 2 2 359.430 0.687 20 0 FCADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705809 1224013194 /nfs/dbraw/zinc/01/31/94/1224013194.db2.gz RWNBCCMWIYFGNA-MGPQQGTHSA-N 2 2 364.450 0.116 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nncn1C ZINC001215934367 1224025375 /nfs/dbraw/zinc/02/53/75/1224025375.db2.gz PWBXYXMFHYDFEE-HZPDHXFCSA-N 2 2 364.494 0.254 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001216061645 1224032049 /nfs/dbraw/zinc/03/20/49/1224032049.db2.gz MXZOUYKBVCLPFX-FRRDWIJNSA-N 2 2 357.418 0.206 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+]CCOCCO ZINC001216185308 1224038302 /nfs/dbraw/zinc/03/83/02/1224038302.db2.gz QQZBBRNWHPGAPB-RHSMWYFYSA-N 2 2 359.430 0.326 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392859 1224048469 /nfs/dbraw/zinc/04/84/69/1224048469.db2.gz QXKZKTXWOXCEQU-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCOC[C@@H]1CCCCO1 ZINC001216393052 1224048807 /nfs/dbraw/zinc/04/88/07/1224048807.db2.gz UZILQUBTYSQJQV-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001216630543 1224059349 /nfs/dbraw/zinc/05/93/49/1224059349.db2.gz JCYRKBNUIAKJEX-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993314955 1249459310 /nfs/dbraw/zinc/45/93/10/1249459310.db2.gz BLTRZBHCSNLODN-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993314955 1249459318 /nfs/dbraw/zinc/45/93/18/1249459318.db2.gz BLTRZBHCSNLODN-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993493686 1249588701 /nfs/dbraw/zinc/58/87/01/1249588701.db2.gz ULQODYOYUCSWKE-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993493686 1249588712 /nfs/dbraw/zinc/58/87/12/1249588712.db2.gz ULQODYOYUCSWKE-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CC1 ZINC000993502571 1249599396 /nfs/dbraw/zinc/59/93/96/1249599396.db2.gz QELCEOZLHTULME-POZUXBRTSA-N 2 2 359.474 0.599 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000993571015 1249712010 /nfs/dbraw/zinc/71/20/10/1249712010.db2.gz HSYPLLDKAFYKMB-HZPDHXFCSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000993579544 1249728514 /nfs/dbraw/zinc/72/85/14/1249728514.db2.gz VWYBVZRJSFVENR-MGPQQGTHSA-N 2 2 365.453 0.531 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000993579544 1249728539 /nfs/dbraw/zinc/72/85/39/1249728539.db2.gz VWYBVZRJSFVENR-MGPQQGTHSA-N 2 2 365.453 0.531 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000993579532 1249729758 /nfs/dbraw/zinc/72/97/58/1249729758.db2.gz RBNZBFHXCUUTHH-JHJVBQTASA-N 2 2 369.416 0.580 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000993579532 1249729761 /nfs/dbraw/zinc/72/97/61/1249729761.db2.gz RBNZBFHXCUUTHH-JHJVBQTASA-N 2 2 369.416 0.580 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccco2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993582363 1249732433 /nfs/dbraw/zinc/73/24/33/1249732433.db2.gz XRZDRYQTVVGCCH-RRFJBIMHSA-N 2 2 371.441 0.689 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccco2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993582363 1249732441 /nfs/dbraw/zinc/73/24/41/1249732441.db2.gz XRZDRYQTVVGCCH-RRFJBIMHSA-N 2 2 371.441 0.689 20 0 FCADLP 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1253302705 /nfs/dbraw/zinc/30/27/05/1253302705.db2.gz QISZIBJWWNDYJX-ABFRBSLYSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)CC[N@@H+]1C ZINC001004374314 1253306169 /nfs/dbraw/zinc/30/61/69/1253306169.db2.gz AOUISLKXMSWOCX-DTJSUFBGSA-N 2 2 373.501 0.941 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)CC[N@H+]1C ZINC001004374314 1253306185 /nfs/dbraw/zinc/30/61/85/1253306185.db2.gz AOUISLKXMSWOCX-DTJSUFBGSA-N 2 2 373.501 0.941 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001004372343 1253307547 /nfs/dbraw/zinc/30/75/47/1253307547.db2.gz YRKXHMQEWBDHRM-ABFRBSLYSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001004372343 1253307561 /nfs/dbraw/zinc/30/75/61/1253307561.db2.gz YRKXHMQEWBDHRM-ABFRBSLYSA-N 2 2 359.474 0.851 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001004525642 1253353002 /nfs/dbraw/zinc/35/30/02/1253353002.db2.gz RPQJYWPVLVNKHA-INMHGKMJSA-N 2 2 359.474 0.438 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC001329280733 1265726092 /nfs/dbraw/zinc/72/60/92/1265726092.db2.gz KITVVZSIFHJUFF-ROUUACIJSA-N 2 2 373.501 0.892 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC001329280733 1265726098 /nfs/dbraw/zinc/72/60/98/1265726098.db2.gz KITVVZSIFHJUFF-ROUUACIJSA-N 2 2 373.501 0.892 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001329280733 1265726100 /nfs/dbraw/zinc/72/61/00/1265726100.db2.gz KITVVZSIFHJUFF-ROUUACIJSA-N 2 2 373.501 0.892 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001329280733 1265726104 /nfs/dbraw/zinc/72/61/04/1265726104.db2.gz KITVVZSIFHJUFF-ROUUACIJSA-N 2 2 373.501 0.892 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001004816189 1253413559 /nfs/dbraw/zinc/41/35/59/1253413559.db2.gz HDEJZNLZJJGTJS-NYCLONFESA-N 2 2 359.474 0.849 20 0 FCADLP Cc1ccccc1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329296402 1265728111 /nfs/dbraw/zinc/72/81/11/1265728111.db2.gz CLZUFWSEHMCGBF-SFHVURJKSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329296402 1265728119 /nfs/dbraw/zinc/72/81/19/1265728119.db2.gz CLZUFWSEHMCGBF-SFHVURJKSA-N 2 2 372.513 0.938 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001005519390 1253571217 /nfs/dbraw/zinc/57/12/17/1253571217.db2.gz DRFKEEHJILZPAE-KFWWJZLASA-N 2 2 357.458 0.829 20 0 FCADLP CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001005581413 1253584825 /nfs/dbraw/zinc/58/48/25/1253584825.db2.gz MUDUCHBDVKOHLP-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001005581413 1253584830 /nfs/dbraw/zinc/58/48/30/1253584830.db2.gz MUDUCHBDVKOHLP-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642695 1265742289 /nfs/dbraw/zinc/74/22/89/1265742289.db2.gz ZSNFTHNOIVNJKP-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642695 1265742296 /nfs/dbraw/zinc/74/22/96/1265742296.db2.gz ZSNFTHNOIVNJKP-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642695 1265742299 /nfs/dbraw/zinc/74/22/99/1265742299.db2.gz ZSNFTHNOIVNJKP-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642695 1265742306 /nfs/dbraw/zinc/74/23/06/1265742306.db2.gz ZSNFTHNOIVNJKP-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001006187238 1253724833 /nfs/dbraw/zinc/72/48/33/1253724833.db2.gz ZFDUDJHKGZSXSC-XOKHGSTOSA-N 2 2 361.490 0.656 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001006187238 1253724835 /nfs/dbraw/zinc/72/48/35/1253724835.db2.gz ZFDUDJHKGZSXSC-XOKHGSTOSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001006189693 1253726495 /nfs/dbraw/zinc/72/64/95/1253726495.db2.gz WUSKQDRPMIXCQV-CKEIUWERSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001006189693 1253726506 /nfs/dbraw/zinc/72/65/06/1253726506.db2.gz WUSKQDRPMIXCQV-CKEIUWERSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)CC2)cc[nH+]1 ZINC001329498081 1265769979 /nfs/dbraw/zinc/76/99/79/1265769979.db2.gz DLWHDTCDTVVEHD-UHFFFAOYSA-N 2 2 356.434 0.263 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001026916657 1253847997 /nfs/dbraw/zinc/84/79/97/1253847997.db2.gz LOBDORKQJCPCHL-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001026916657 1253848004 /nfs/dbraw/zinc/84/80/04/1253848004.db2.gz LOBDORKQJCPCHL-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001029742503 1253870306 /nfs/dbraw/zinc/87/03/06/1253870306.db2.gz VIYGPEQWKUKJKA-BZUAXINKSA-N 2 2 366.485 0.868 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001029742503 1253870322 /nfs/dbraw/zinc/87/03/22/1253870322.db2.gz VIYGPEQWKUKJKA-BZUAXINKSA-N 2 2 366.485 0.868 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001029742503 1253870333 /nfs/dbraw/zinc/87/03/33/1253870333.db2.gz VIYGPEQWKUKJKA-BZUAXINKSA-N 2 2 366.485 0.868 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001029742503 1253870342 /nfs/dbraw/zinc/87/03/42/1253870342.db2.gz VIYGPEQWKUKJKA-BZUAXINKSA-N 2 2 366.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCCN2CCCC2=O)C1 ZINC001031982769 1253909291 /nfs/dbraw/zinc/90/92/91/1253909291.db2.gz DFBBITXGTDRDNT-HZPDHXFCSA-N 2 2 359.474 0.584 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1 ZINC001329563980 1265782012 /nfs/dbraw/zinc/78/20/12/1265782012.db2.gz HWAXBAQWADDIGA-UHFFFAOYSA-N 2 2 356.430 0.470 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001033839724 1253968221 /nfs/dbraw/zinc/96/82/21/1253968221.db2.gz USVPITUSAVMJEY-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001033839724 1253968225 /nfs/dbraw/zinc/96/82/25/1253968225.db2.gz USVPITUSAVMJEY-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001033839724 1253968231 /nfs/dbraw/zinc/96/82/31/1253968231.db2.gz USVPITUSAVMJEY-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001033839724 1253968237 /nfs/dbraw/zinc/96/82/37/1253968237.db2.gz USVPITUSAVMJEY-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001034272359 1253986005 /nfs/dbraw/zinc/98/60/05/1253986005.db2.gz LRVDUWMJMCHONG-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001034272359 1253986015 /nfs/dbraw/zinc/98/60/15/1253986015.db2.gz LRVDUWMJMCHONG-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001034272359 1253986028 /nfs/dbraw/zinc/98/60/28/1253986028.db2.gz LRVDUWMJMCHONG-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001034272359 1253986040 /nfs/dbraw/zinc/98/60/40/1253986040.db2.gz LRVDUWMJMCHONG-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001034674613 1254000602 /nfs/dbraw/zinc/00/06/02/1254000602.db2.gz KQYNENGRNHQYRY-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001034674613 1254000606 /nfs/dbraw/zinc/00/06/06/1254000606.db2.gz KQYNENGRNHQYRY-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001034737470 1254005699 /nfs/dbraw/zinc/00/56/99/1254005699.db2.gz FIYADVIRSNQSNG-KBUPBQIOSA-N 2 2 357.462 0.869 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccc(CO)cc3)CCO2)CC[N@@H+]1C ZINC001035376314 1254031249 /nfs/dbraw/zinc/03/12/49/1254031249.db2.gz QYVGYYQQMHTVFA-AYOQOUSVSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccc(CO)cc3)CCO2)CC[N@H+]1C ZINC001035376314 1254031251 /nfs/dbraw/zinc/03/12/51/1254031251.db2.gz QYVGYYQQMHTVFA-AYOQOUSVSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccc(CO)cc3)CCO2)CC[NH+]1C ZINC001035376314 1254031257 /nfs/dbraw/zinc/03/12/57/1254031257.db2.gz QYVGYYQQMHTVFA-AYOQOUSVSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccc(CO)cc3)CCO2)CC[NH+]1C ZINC001035376314 1254031264 /nfs/dbraw/zinc/03/12/64/1254031264.db2.gz QYVGYYQQMHTVFA-AYOQOUSVSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCC3CCOCC3)CCO2)O1 ZINC001035426796 1254037939 /nfs/dbraw/zinc/03/79/39/1254037939.db2.gz ZBCTVSDJFXGSQU-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCC3CCOCC3)CCO2)O1 ZINC001035426796 1254037951 /nfs/dbraw/zinc/03/79/51/1254037951.db2.gz ZBCTVSDJFXGSQU-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCC3CCOCC3)CCO2)O1 ZINC001035426796 1254037962 /nfs/dbraw/zinc/03/79/62/1254037962.db2.gz ZBCTVSDJFXGSQU-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCC3CCOCC3)CCO2)O1 ZINC001035426796 1254037972 /nfs/dbraw/zinc/03/79/72/1254037972.db2.gz ZBCTVSDJFXGSQU-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001059732366 1254113022 /nfs/dbraw/zinc/11/30/22/1254113022.db2.gz QCUYRYPQHYQTIF-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001059732366 1254113027 /nfs/dbraw/zinc/11/30/27/1254113027.db2.gz QCUYRYPQHYQTIF-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001062354025 1254262221 /nfs/dbraw/zinc/26/22/21/1254262221.db2.gz NBDUNTNVBQBEOP-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497553 1254353682 /nfs/dbraw/zinc/35/36/82/1254353682.db2.gz VUIRBJXYMLKASZ-HUUCEWRRSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497553 1254353688 /nfs/dbraw/zinc/35/36/88/1254353688.db2.gz VUIRBJXYMLKASZ-HUUCEWRRSA-N 2 2 363.462 0.066 20 0 FCADLP COCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001065681486 1254576267 /nfs/dbraw/zinc/57/62/67/1254576267.db2.gz VACMOQZGHMFCPA-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP COCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001065681486 1254576278 /nfs/dbraw/zinc/57/62/78/1254576278.db2.gz VACMOQZGHMFCPA-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP COCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001065703494 1254580552 /nfs/dbraw/zinc/58/05/52/1254580552.db2.gz DFDFBPMWDFOZCO-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001065703494 1254580567 /nfs/dbraw/zinc/58/05/67/1254580567.db2.gz DFDFBPMWDFOZCO-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001520267816 1265893970 /nfs/dbraw/zinc/89/39/70/1265893970.db2.gz YFXLOAQFNWZPQD-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001075967087 1254660510 /nfs/dbraw/zinc/66/05/10/1254660510.db2.gz GRSWLFSLTDNVKG-HDMKZQKVSA-N 2 2 371.485 0.599 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001075967087 1254660525 /nfs/dbraw/zinc/66/05/25/1254660525.db2.gz GRSWLFSLTDNVKG-HDMKZQKVSA-N 2 2 371.485 0.599 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCCC1 ZINC001075967234 1254661631 /nfs/dbraw/zinc/66/16/31/1254661631.db2.gz JZKWHAJRSFTUBS-LZLYRXPVSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCCC1 ZINC001075967234 1254661641 /nfs/dbraw/zinc/66/16/41/1254661641.db2.gz JZKWHAJRSFTUBS-LZLYRXPVSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675730 1254855988 /nfs/dbraw/zinc/85/59/88/1254855988.db2.gz XBNDDFXSPLYQRG-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675730 1254855998 /nfs/dbraw/zinc/85/59/98/1254855998.db2.gz XBNDDFXSPLYQRG-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675730 1254856005 /nfs/dbraw/zinc/85/60/05/1254856005.db2.gz XBNDDFXSPLYQRG-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675730 1254856018 /nfs/dbraw/zinc/85/60/18/1254856018.db2.gz XBNDDFXSPLYQRG-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)C1 ZINC001077685158 1254878084 /nfs/dbraw/zinc/87/80/84/1254878084.db2.gz BFCXEMPSQLPPOK-QZTJIDSGSA-N 2 2 361.486 0.572 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)C1 ZINC001077685158 1254878093 /nfs/dbraw/zinc/87/80/93/1254878093.db2.gz BFCXEMPSQLPPOK-QZTJIDSGSA-N 2 2 361.486 0.572 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)C1 ZINC001077685158 1254878103 /nfs/dbraw/zinc/87/81/03/1254878103.db2.gz BFCXEMPSQLPPOK-QZTJIDSGSA-N 2 2 361.486 0.572 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)C1 ZINC001077685158 1254878113 /nfs/dbraw/zinc/87/81/13/1254878113.db2.gz BFCXEMPSQLPPOK-QZTJIDSGSA-N 2 2 361.486 0.572 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001077698140 1254899150 /nfs/dbraw/zinc/89/91/50/1254899150.db2.gz VLKLYWABINLOFP-YFHUEUNASA-N 2 2 372.473 0.144 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001077698140 1254899162 /nfs/dbraw/zinc/89/91/62/1254899162.db2.gz VLKLYWABINLOFP-YFHUEUNASA-N 2 2 372.473 0.144 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077776041 1254976961 /nfs/dbraw/zinc/97/69/61/1254976961.db2.gz AHHYFIOSEAJJFQ-KZNAEPCWSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077776041 1254976985 /nfs/dbraw/zinc/97/69/85/1254976985.db2.gz AHHYFIOSEAJJFQ-KZNAEPCWSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776041 1254976993 /nfs/dbraw/zinc/97/69/93/1254976993.db2.gz AHHYFIOSEAJJFQ-KZNAEPCWSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776041 1254977005 /nfs/dbraw/zinc/97/70/05/1254977005.db2.gz AHHYFIOSEAJJFQ-KZNAEPCWSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)ncn1 ZINC001077838567 1255038531 /nfs/dbraw/zinc/03/85/31/1255038531.db2.gz BZNZHTNTTPJKNI-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)ncn1 ZINC001077838567 1255038541 /nfs/dbraw/zinc/03/85/41/1255038541.db2.gz BZNZHTNTTPJKNI-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888771 1255075001 /nfs/dbraw/zinc/07/50/01/1255075001.db2.gz UXQOOZROMKRENM-QZTJIDSGSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888771 1255075011 /nfs/dbraw/zinc/07/50/11/1255075011.db2.gz UXQOOZROMKRENM-QZTJIDSGSA-N 2 2 364.490 0.939 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941493 1255113827 /nfs/dbraw/zinc/11/38/27/1255113827.db2.gz RRAWZVGMRFAWBB-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941493 1255113831 /nfs/dbraw/zinc/11/38/31/1255113831.db2.gz RRAWZVGMRFAWBB-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992073 1255151744 /nfs/dbraw/zinc/15/17/44/1255151744.db2.gz GZRTVLSBZCMQNY-CGTJXYLNSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992073 1255151751 /nfs/dbraw/zinc/15/17/51/1255151751.db2.gz GZRTVLSBZCMQNY-CGTJXYLNSA-N 2 2 371.441 0.611 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1)OC ZINC001077992054 1255152094 /nfs/dbraw/zinc/15/20/94/1255152094.db2.gz GDVXXDUVENAAMX-DJIMGWMZSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1)OC ZINC001077992054 1255152098 /nfs/dbraw/zinc/15/20/98/1255152098.db2.gz GDVXXDUVENAAMX-DJIMGWMZSA-N 2 2 359.430 0.467 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992469 1255152150 /nfs/dbraw/zinc/15/21/50/1255152150.db2.gz ZHAPSALQTFMBTD-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992469 1255152152 /nfs/dbraw/zinc/15/21/52/1255152152.db2.gz ZHAPSALQTFMBTD-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011831 1255167624 /nfs/dbraw/zinc/16/76/24/1255167624.db2.gz JXIBRQOZPLHKGO-BRWVUGGUSA-N 2 2 363.433 0.116 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011831 1255167631 /nfs/dbraw/zinc/16/76/31/1255167631.db2.gz JXIBRQOZPLHKGO-BRWVUGGUSA-N 2 2 363.433 0.116 20 0 FCADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180022 1255295253 /nfs/dbraw/zinc/29/52/53/1255295253.db2.gz JLFYZPAQRJSZJI-QZTJIDSGSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180022 1255295263 /nfs/dbraw/zinc/29/52/63/1255295263.db2.gz JLFYZPAQRJSZJI-QZTJIDSGSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@H]1O ZINC001078182277 1255299069 /nfs/dbraw/zinc/29/90/69/1255299069.db2.gz NPEMTQJSUYZFLB-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1O ZINC001078182277 1255299072 /nfs/dbraw/zinc/29/90/72/1255299072.db2.gz NPEMTQJSUYZFLB-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078230607 1255344229 /nfs/dbraw/zinc/34/42/29/1255344229.db2.gz JGQNBEDWTUAZIG-QZTJIDSGSA-N 2 2 357.458 0.457 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405412 1255409362 /nfs/dbraw/zinc/40/93/62/1255409362.db2.gz MOVABYMNTOPPQA-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405412 1255409367 /nfs/dbraw/zinc/40/93/67/1255409367.db2.gz MOVABYMNTOPPQA-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001078527083 1255427840 /nfs/dbraw/zinc/42/78/40/1255427840.db2.gz JIUUVAFFCANSGB-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129931 1255443773 /nfs/dbraw/zinc/44/37/73/1255443773.db2.gz OUYWTSNHRORYLQ-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129931 1255443776 /nfs/dbraw/zinc/44/37/76/1255443776.db2.gz OUYWTSNHRORYLQ-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129931 1255443778 /nfs/dbraw/zinc/44/37/78/1255443778.db2.gz OUYWTSNHRORYLQ-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079129931 1255443782 /nfs/dbraw/zinc/44/37/82/1255443782.db2.gz OUYWTSNHRORYLQ-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079254145 1255488760 /nfs/dbraw/zinc/48/87/60/1255488760.db2.gz NQUWPXBNJAWVNM-JKSUJKDBSA-N 2 2 362.474 0.284 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079740023 1255589361 /nfs/dbraw/zinc/58/93/61/1255589361.db2.gz UMLKULYEVAIQEH-GDBMZVCRSA-N 2 2 357.462 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079740023 1255589367 /nfs/dbraw/zinc/58/93/67/1255589367.db2.gz UMLKULYEVAIQEH-GDBMZVCRSA-N 2 2 357.462 0.490 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001079948217 1255676229 /nfs/dbraw/zinc/67/62/29/1255676229.db2.gz YMIJLVHDOOQGIU-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001079948217 1255676239 /nfs/dbraw/zinc/67/62/39/1255676239.db2.gz YMIJLVHDOOQGIU-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962505 1255683722 /nfs/dbraw/zinc/68/37/22/1255683722.db2.gz NEXLNJNFSPWTPX-IAQYHMDHSA-N 2 2 370.413 0.165 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962505 1255683728 /nfs/dbraw/zinc/68/37/28/1255683728.db2.gz NEXLNJNFSPWTPX-IAQYHMDHSA-N 2 2 370.413 0.165 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079991122 1255696550 /nfs/dbraw/zinc/69/65/50/1255696550.db2.gz WQHIQDLUYYQOHV-HYVNUMGLSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079991122 1255696555 /nfs/dbraw/zinc/69/65/55/1255696555.db2.gz WQHIQDLUYYQOHV-HYVNUMGLSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991636 1255697259 /nfs/dbraw/zinc/69/72/59/1255697259.db2.gz OCTCRAOIEMLISV-JKIFEVAISA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991636 1255697266 /nfs/dbraw/zinc/69/72/66/1255697266.db2.gz OCTCRAOIEMLISV-JKIFEVAISA-N 2 2 359.474 0.503 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001079991801 1255698944 /nfs/dbraw/zinc/69/89/44/1255698944.db2.gz SLZKJODHSCCTBS-KBRIMQKVSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001079991801 1255698949 /nfs/dbraw/zinc/69/89/49/1255698949.db2.gz SLZKJODHSCCTBS-KBRIMQKVSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010656 1255705239 /nfs/dbraw/zinc/70/52/39/1255705239.db2.gz HLSOLHPKJZGGMK-WQVCFCJDSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010656 1255705244 /nfs/dbraw/zinc/70/52/44/1255705244.db2.gz HLSOLHPKJZGGMK-WQVCFCJDSA-N 2 2 363.462 0.407 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161344 1255766001 /nfs/dbraw/zinc/76/60/01/1255766001.db2.gz XXHAVZOSEKCXOP-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161344 1255766007 /nfs/dbraw/zinc/76/60/07/1255766007.db2.gz XXHAVZOSEKCXOP-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161344 1255766012 /nfs/dbraw/zinc/76/60/12/1255766012.db2.gz XXHAVZOSEKCXOP-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161344 1255766019 /nfs/dbraw/zinc/76/60/19/1255766019.db2.gz XXHAVZOSEKCXOP-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080679415 1255981146 /nfs/dbraw/zinc/98/11/46/1255981146.db2.gz DEMYRYKCXZTCHV-XYPHTWIQSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080679415 1255981154 /nfs/dbraw/zinc/98/11/54/1255981154.db2.gz DEMYRYKCXZTCHV-XYPHTWIQSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782608 1256036488 /nfs/dbraw/zinc/03/64/88/1256036488.db2.gz SNVOAYGYHOQROE-KBRIMQKVSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782608 1256036499 /nfs/dbraw/zinc/03/64/99/1256036499.db2.gz SNVOAYGYHOQROE-KBRIMQKVSA-N 2 2 359.474 0.553 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997598 1256131686 /nfs/dbraw/zinc/13/16/86/1256131686.db2.gz GKHXNAXUUVDKFH-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997598 1256131687 /nfs/dbraw/zinc/13/16/87/1256131687.db2.gz GKHXNAXUUVDKFH-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997598 1256131691 /nfs/dbraw/zinc/13/16/91/1256131691.db2.gz GKHXNAXUUVDKFH-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997598 1256131693 /nfs/dbraw/zinc/13/16/93/1256131693.db2.gz GKHXNAXUUVDKFH-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)c[nH+]1 ZINC001081132128 1256189456 /nfs/dbraw/zinc/18/94/56/1256189456.db2.gz JHMVPBXSKAQNOX-DLBZAZTESA-N 2 2 369.469 0.996 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481483 1256270542 /nfs/dbraw/zinc/27/05/42/1256270542.db2.gz KBNWJKXQXMYQAV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481483 1256270547 /nfs/dbraw/zinc/27/05/47/1256270547.db2.gz KBNWJKXQXMYQAV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481483 1256270551 /nfs/dbraw/zinc/27/05/51/1256270551.db2.gz KBNWJKXQXMYQAV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481483 1256270553 /nfs/dbraw/zinc/27/05/53/1256270553.db2.gz KBNWJKXQXMYQAV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481898 1256273145 /nfs/dbraw/zinc/27/31/45/1256273145.db2.gz ZPJHMBDJAZDMDF-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481898 1256273152 /nfs/dbraw/zinc/27/31/52/1256273152.db2.gz ZPJHMBDJAZDMDF-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481898 1256273158 /nfs/dbraw/zinc/27/31/58/1256273158.db2.gz ZPJHMBDJAZDMDF-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481898 1256273160 /nfs/dbraw/zinc/27/31/60/1256273160.db2.gz ZPJHMBDJAZDMDF-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081658967 1256323296 /nfs/dbraw/zinc/32/32/96/1256323296.db2.gz HMUVXIXXGCTXJC-FGTMMUONSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001081658967 1256323302 /nfs/dbraw/zinc/32/33/02/1256323302.db2.gz HMUVXIXXGCTXJC-FGTMMUONSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001081658967 1256323306 /nfs/dbraw/zinc/32/33/06/1256323306.db2.gz HMUVXIXXGCTXJC-FGTMMUONSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001081658967 1256323313 /nfs/dbraw/zinc/32/33/13/1256323313.db2.gz HMUVXIXXGCTXJC-FGTMMUONSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670243 1256328766 /nfs/dbraw/zinc/32/87/66/1256328766.db2.gz KWAKZACGOYVOFH-RCCFBDPRSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670243 1256328769 /nfs/dbraw/zinc/32/87/69/1256328769.db2.gz KWAKZACGOYVOFH-RCCFBDPRSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668768 1256329261 /nfs/dbraw/zinc/32/92/61/1256329261.db2.gz UMZNPGMOTCOMOQ-HZPDHXFCSA-N 2 2 364.494 0.358 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668768 1256329273 /nfs/dbraw/zinc/32/92/73/1256329273.db2.gz UMZNPGMOTCOMOQ-HZPDHXFCSA-N 2 2 364.494 0.358 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672872 1256329855 /nfs/dbraw/zinc/32/98/55/1256329855.db2.gz NLYGCEWQOSOMKR-CGTJXYLNSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672872 1256329857 /nfs/dbraw/zinc/32/98/57/1256329857.db2.gz NLYGCEWQOSOMKR-CGTJXYLNSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799267 1256378248 /nfs/dbraw/zinc/37/82/48/1256378248.db2.gz JVNBWLGOYSTPJL-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799267 1256378256 /nfs/dbraw/zinc/37/82/56/1256378256.db2.gz JVNBWLGOYSTPJL-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799267 1256378259 /nfs/dbraw/zinc/37/82/59/1256378259.db2.gz JVNBWLGOYSTPJL-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799267 1256378265 /nfs/dbraw/zinc/37/82/65/1256378265.db2.gz JVNBWLGOYSTPJL-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840821 1256407358 /nfs/dbraw/zinc/40/73/58/1256407358.db2.gz VJOBLIUAEMEFFJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081840821 1256407360 /nfs/dbraw/zinc/40/73/60/1256407360.db2.gz VJOBLIUAEMEFFJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855716 1256412676 /nfs/dbraw/zinc/41/26/76/1256412676.db2.gz QQFKEEDKGGCJED-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855716 1256412679 /nfs/dbraw/zinc/41/26/79/1256412679.db2.gz QQFKEEDKGGCJED-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081855716 1256412680 /nfs/dbraw/zinc/41/26/80/1256412680.db2.gz QQFKEEDKGGCJED-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081855716 1256412682 /nfs/dbraw/zinc/41/26/82/1256412682.db2.gz QQFKEEDKGGCJED-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880081 1256427393 /nfs/dbraw/zinc/42/73/93/1256427393.db2.gz JGLNCVPKVLNDHB-IAGOWNOFSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880081 1256427396 /nfs/dbraw/zinc/42/73/96/1256427396.db2.gz JGLNCVPKVLNDHB-IAGOWNOFSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899306 1256441621 /nfs/dbraw/zinc/44/16/21/1256441621.db2.gz LAOCIACBYBJKIZ-IAGOWNOFSA-N 2 2 354.414 0.660 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899306 1256441623 /nfs/dbraw/zinc/44/16/23/1256441623.db2.gz LAOCIACBYBJKIZ-IAGOWNOFSA-N 2 2 354.414 0.660 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899701 1256443180 /nfs/dbraw/zinc/44/31/80/1256443180.db2.gz FYQXXZVDXXEJEF-OWCLPIDISA-N 2 2 357.414 0.042 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899701 1256443183 /nfs/dbraw/zinc/44/31/83/1256443183.db2.gz FYQXXZVDXXEJEF-OWCLPIDISA-N 2 2 357.414 0.042 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947145 1256468030 /nfs/dbraw/zinc/46/80/30/1256468030.db2.gz NLXOEGMQKKKYIG-IAGOWNOFSA-N 2 2 371.441 0.386 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947145 1256468033 /nfs/dbraw/zinc/46/80/33/1256468033.db2.gz NLXOEGMQKKKYIG-IAGOWNOFSA-N 2 2 371.441 0.386 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066581 1256518951 /nfs/dbraw/zinc/51/89/51/1256518951.db2.gz ZEGHVJBYPYGTGR-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066581 1256518954 /nfs/dbraw/zinc/51/89/54/1256518954.db2.gz ZEGHVJBYPYGTGR-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066581 1256518959 /nfs/dbraw/zinc/51/89/59/1256518959.db2.gz ZEGHVJBYPYGTGR-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066581 1256518964 /nfs/dbraw/zinc/51/89/64/1256518964.db2.gz ZEGHVJBYPYGTGR-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)c1 ZINC001082092843 1256531416 /nfs/dbraw/zinc/53/14/16/1256531416.db2.gz QYTPUHCUMSWZJJ-QZTJIDSGSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)c1 ZINC001082092843 1256531422 /nfs/dbraw/zinc/53/14/22/1256531422.db2.gz QYTPUHCUMSWZJJ-QZTJIDSGSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082092770 1256531477 /nfs/dbraw/zinc/53/14/77/1256531477.db2.gz OEWAKGNUKOPXQS-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082092770 1256531483 /nfs/dbraw/zinc/53/14/83/1256531483.db2.gz OEWAKGNUKOPXQS-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001082138272 1256555785 /nfs/dbraw/zinc/55/57/85/1256555785.db2.gz XCJVDLDNRHZGRZ-IAOVAPTHSA-N 2 2 362.474 0.094 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001082138272 1256555788 /nfs/dbraw/zinc/55/57/88/1256555788.db2.gz XCJVDLDNRHZGRZ-IAOVAPTHSA-N 2 2 362.474 0.094 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082139229 1256556801 /nfs/dbraw/zinc/55/68/01/1256556801.db2.gz KAACSISEJWWZDV-IAOVAPTHSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082139229 1256556805 /nfs/dbraw/zinc/55/68/05/1256556805.db2.gz KAACSISEJWWZDV-IAOVAPTHSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001082241490 1256604462 /nfs/dbraw/zinc/60/44/62/1256604462.db2.gz UVRTXPHTDNVBNF-IAGOWNOFSA-N 2 2 362.474 0.265 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001082241490 1256604468 /nfs/dbraw/zinc/60/44/68/1256604468.db2.gz UVRTXPHTDNVBNF-IAGOWNOFSA-N 2 2 362.474 0.265 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271546 1256622736 /nfs/dbraw/zinc/62/27/36/1256622736.db2.gz GTNNTKLLWSTHLG-QZTJIDSGSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271546 1256622741 /nfs/dbraw/zinc/62/27/41/1256622741.db2.gz GTNNTKLLWSTHLG-QZTJIDSGSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291228 1256636919 /nfs/dbraw/zinc/63/69/19/1256636919.db2.gz HMCJGHYRBZTQQP-IAGOWNOFSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291228 1256636925 /nfs/dbraw/zinc/63/69/25/1256636925.db2.gz HMCJGHYRBZTQQP-IAGOWNOFSA-N 2 2 366.506 0.201 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001082296556 1256640464 /nfs/dbraw/zinc/64/04/64/1256640464.db2.gz WBSCVBJOOPBQGW-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001082296556 1256640466 /nfs/dbraw/zinc/64/04/66/1256640466.db2.gz WBSCVBJOOPBQGW-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323228 1256661366 /nfs/dbraw/zinc/66/13/66/1256661366.db2.gz KBWXAZFMAYLWBR-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323228 1256661371 /nfs/dbraw/zinc/66/13/71/1256661371.db2.gz KBWXAZFMAYLWBR-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370128 1256719476 /nfs/dbraw/zinc/71/94/76/1256719476.db2.gz SZLYQWSPWNSITI-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370128 1256719481 /nfs/dbraw/zinc/71/94/81/1256719481.db2.gz SZLYQWSPWNSITI-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001082382642 1256733104 /nfs/dbraw/zinc/73/31/04/1256733104.db2.gz MUJGQJFGCCQTJG-BRWVUGGUSA-N 2 2 360.458 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001082382642 1256733108 /nfs/dbraw/zinc/73/31/08/1256733108.db2.gz MUJGQJFGCCQTJG-BRWVUGGUSA-N 2 2 360.458 0.066 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384865 1256736272 /nfs/dbraw/zinc/73/62/72/1256736272.db2.gz OUZUZGNWCHBWKR-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384865 1256736276 /nfs/dbraw/zinc/73/62/76/1256736276.db2.gz OUZUZGNWCHBWKR-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384865 1256736279 /nfs/dbraw/zinc/73/62/79/1256736279.db2.gz OUZUZGNWCHBWKR-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384865 1256736283 /nfs/dbraw/zinc/73/62/83/1256736283.db2.gz OUZUZGNWCHBWKR-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001082385031 1256737110 /nfs/dbraw/zinc/73/71/10/1256737110.db2.gz UWNPJKQUYGEDJZ-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001082385031 1256737114 /nfs/dbraw/zinc/73/71/14/1256737114.db2.gz UWNPJKQUYGEDJZ-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001082385031 1256737119 /nfs/dbraw/zinc/73/71/19/1256737119.db2.gz UWNPJKQUYGEDJZ-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001082385031 1256737124 /nfs/dbraw/zinc/73/71/24/1256737124.db2.gz UWNPJKQUYGEDJZ-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394896 1256744048 /nfs/dbraw/zinc/74/40/48/1256744048.db2.gz LGVSVCVZHHWODN-NVXWUHKLSA-N 2 2 369.429 0.180 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394896 1256744052 /nfs/dbraw/zinc/74/40/52/1256744052.db2.gz LGVSVCVZHHWODN-NVXWUHKLSA-N 2 2 369.429 0.180 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395090 1256744216 /nfs/dbraw/zinc/74/42/16/1256744216.db2.gz UNUGDJZJUQUAPB-QZTJIDSGSA-N 2 2 357.458 0.965 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395090 1256744221 /nfs/dbraw/zinc/74/42/21/1256744221.db2.gz UNUGDJZJUQUAPB-QZTJIDSGSA-N 2 2 357.458 0.965 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1C1CC1 ZINC001082458213 1256770808 /nfs/dbraw/zinc/77/08/08/1256770808.db2.gz CIJCGEYTELEHBU-WQVCFCJDSA-N 2 2 362.478 0.189 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1C1CC1 ZINC001082458213 1256770812 /nfs/dbraw/zinc/77/08/12/1256770812.db2.gz CIJCGEYTELEHBU-WQVCFCJDSA-N 2 2 362.478 0.189 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1nc2ccccc2n1C ZINC001082458600 1256770978 /nfs/dbraw/zinc/77/09/78/1256770978.db2.gz WUTJBTCLWUNUIO-KYJSFNMBSA-N 2 2 371.485 0.840 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1nc2ccccc2n1C ZINC001082458600 1256770984 /nfs/dbraw/zinc/77/09/84/1256770984.db2.gz WUTJBTCLWUNUIO-KYJSFNMBSA-N 2 2 371.485 0.840 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1nc2ccccc2n1C ZINC001082458601 1256771139 /nfs/dbraw/zinc/77/11/39/1256771139.db2.gz WUTJBTCLWUNUIO-QGPMSJSTSA-N 2 2 371.485 0.840 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1nc2ccccc2n1C ZINC001082458601 1256771144 /nfs/dbraw/zinc/77/11/44/1256771144.db2.gz WUTJBTCLWUNUIO-QGPMSJSTSA-N 2 2 371.485 0.840 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+]CC(=O)N4CCC4)C3)ccn12 ZINC001082511579 1256796719 /nfs/dbraw/zinc/79/67/19/1256796719.db2.gz DCYCYGFCFCARRM-CZUORRHYSA-N 2 2 355.442 0.925 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001082521590 1256805979 /nfs/dbraw/zinc/80/59/79/1256805979.db2.gz OOXLIJAGEZDGJL-HZSPNIEDSA-N 2 2 360.466 0.557 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592462 1266066321 /nfs/dbraw/zinc/06/63/21/1266066321.db2.gz QFCYSTMBSHPJAS-CQSZACIVSA-N 3 2 361.494 0.101 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592462 1266066326 /nfs/dbraw/zinc/06/63/26/1266066326.db2.gz QFCYSTMBSHPJAS-CQSZACIVSA-N 3 2 361.494 0.101 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1nccn1C ZINC001082558237 1256855309 /nfs/dbraw/zinc/85/53/09/1256855309.db2.gz GONDJEMYMACQKD-BZUAXINKSA-N 2 2 359.478 0.184 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590451 1256903475 /nfs/dbraw/zinc/90/34/75/1256903475.db2.gz XAIAEEWDTFWHJJ-RRCSTGOVSA-N 2 2 364.494 0.262 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590451 1256903480 /nfs/dbraw/zinc/90/34/80/1256903480.db2.gz XAIAEEWDTFWHJJ-RRCSTGOVSA-N 2 2 364.494 0.262 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C)n1 ZINC001082603315 1256914443 /nfs/dbraw/zinc/91/44/43/1256914443.db2.gz UVYULCJVIYDWNB-XOKHGSTOSA-N 2 2 371.489 0.791 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082604329 1256915090 /nfs/dbraw/zinc/91/50/90/1256915090.db2.gz LPZJUIJPQXEOPI-IIAWOOMASA-N 2 2 357.462 0.694 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001082604466 1256915600 /nfs/dbraw/zinc/91/56/00/1256915600.db2.gz QXUROACRHFKIKG-JKIFEVAISA-N 2 2 370.457 0.881 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1C ZINC001082604612 1256916002 /nfs/dbraw/zinc/91/60/02/1256916002.db2.gz VPOXHFYFPDOLOL-IIAWOOMASA-N 2 2 371.489 0.773 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653649 1256957564 /nfs/dbraw/zinc/95/75/64/1256957564.db2.gz WHHCGOLPYNHNIV-GKZCEAJXSA-N 2 2 361.446 0.178 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653649 1256957571 /nfs/dbraw/zinc/95/75/71/1256957571.db2.gz WHHCGOLPYNHNIV-GKZCEAJXSA-N 2 2 361.446 0.178 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001082663882 1256965979 /nfs/dbraw/zinc/96/59/79/1256965979.db2.gz KCXNFTPXAPQKFM-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001082663882 1256965985 /nfs/dbraw/zinc/96/59/85/1256965985.db2.gz KCXNFTPXAPQKFM-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082673295 1256972159 /nfs/dbraw/zinc/97/21/59/1256972159.db2.gz CTATXMBYRFLWKO-CHWSQXEVSA-N 2 2 367.404 0.767 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001082767066 1257040525 /nfs/dbraw/zinc/04/05/25/1257040525.db2.gz RESPDCPPLPLBAE-RHSMWYFYSA-N 2 2 367.453 0.978 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001082774457 1257045673 /nfs/dbraw/zinc/04/56/73/1257045673.db2.gz YTDOSBXJALHOTM-HZSPNIEDSA-N 2 2 360.466 0.728 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001082781689 1257047841 /nfs/dbraw/zinc/04/78/41/1257047841.db2.gz HTMMOUHFSIXIAD-ZIAGYGMSSA-N 2 2 360.466 0.557 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)nn1 ZINC001082807893 1257066402 /nfs/dbraw/zinc/06/64/02/1257066402.db2.gz JKPVWGDCFKTUAE-NVXWUHKLSA-N 2 2 364.494 0.518 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001082851817 1257104223 /nfs/dbraw/zinc/10/42/23/1257104223.db2.gz DXTWHUSRIGIGJW-CZUORRHYSA-N 2 2 361.494 0.269 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(N)=O ZINC001082856568 1257106611 /nfs/dbraw/zinc/10/66/11/1257106611.db2.gz UDLIGGWQVRFJQE-XNRPHZJLSA-N 2 2 356.430 0.581 20 0 FCADLP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c1 ZINC001082860934 1257112169 /nfs/dbraw/zinc/11/21/69/1257112169.db2.gz YBIADKKCQUOPIP-RDTXWAMCSA-N 2 2 369.469 0.959 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)C1 ZINC001082884078 1257121819 /nfs/dbraw/zinc/12/18/19/1257121819.db2.gz BUKVZFYNJCUFHJ-CKEIUWERSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001082922442 1257146735 /nfs/dbraw/zinc/14/67/35/1257146735.db2.gz DHXBVFPRYRMGOO-UKRRQHHQSA-N 2 2 357.462 0.756 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)nc1 ZINC001082923521 1257147792 /nfs/dbraw/zinc/14/77/92/1257147792.db2.gz NHAWLDDKBXTUDK-BRWVUGGUSA-N 2 2 361.490 0.690 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001082934391 1257154611 /nfs/dbraw/zinc/15/46/11/1257154611.db2.gz KGKXNXBDESZRLP-ZTFGCOKTSA-N 2 2 361.490 0.487 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001082934391 1257154612 /nfs/dbraw/zinc/15/46/12/1257154612.db2.gz KGKXNXBDESZRLP-ZTFGCOKTSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)N1CCC(C)CC1 ZINC001082957580 1257168357 /nfs/dbraw/zinc/16/83/57/1257168357.db2.gz RGVPTMPPNPWWPQ-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105334 1257318115 /nfs/dbraw/zinc/31/81/15/1257318115.db2.gz VKRSBFOLCQSWTL-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105334 1257318123 /nfs/dbraw/zinc/31/81/23/1257318123.db2.gz VKRSBFOLCQSWTL-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105334 1257318133 /nfs/dbraw/zinc/31/81/33/1257318133.db2.gz VKRSBFOLCQSWTL-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105334 1257318142 /nfs/dbraw/zinc/31/81/42/1257318142.db2.gz VKRSBFOLCQSWTL-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083105414 1257319087 /nfs/dbraw/zinc/31/90/87/1257319087.db2.gz YYWPKHDXWAEQRY-YESZJQIVSA-N 2 2 370.457 0.569 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083105414 1257319096 /nfs/dbraw/zinc/31/90/96/1257319096.db2.gz YYWPKHDXWAEQRY-YESZJQIVSA-N 2 2 370.457 0.569 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106724 1257320265 /nfs/dbraw/zinc/32/02/65/1257320265.db2.gz SENSWTWQLWNWMN-XOKHGSTOSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106724 1257320275 /nfs/dbraw/zinc/32/02/75/1257320275.db2.gz SENSWTWQLWNWMN-XOKHGSTOSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106724 1257320283 /nfs/dbraw/zinc/32/02/83/1257320283.db2.gz SENSWTWQLWNWMN-XOKHGSTOSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106724 1257320290 /nfs/dbraw/zinc/32/02/90/1257320290.db2.gz SENSWTWQLWNWMN-XOKHGSTOSA-N 2 2 364.490 0.049 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083132234 1257379991 /nfs/dbraw/zinc/37/99/91/1257379991.db2.gz JONBFMPSLABDGJ-ZWKOTPCHSA-N 2 2 366.425 0.756 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083132234 1257380001 /nfs/dbraw/zinc/38/00/01/1257380001.db2.gz JONBFMPSLABDGJ-ZWKOTPCHSA-N 2 2 366.425 0.756 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145284 1257401518 /nfs/dbraw/zinc/40/15/18/1257401518.db2.gz ATGNENCJZAIIIL-FHLIZLRMSA-N 2 2 362.474 0.708 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145284 1257401523 /nfs/dbraw/zinc/40/15/23/1257401523.db2.gz ATGNENCJZAIIIL-FHLIZLRMSA-N 2 2 362.474 0.708 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780743 1257524356 /nfs/dbraw/zinc/52/43/56/1257524356.db2.gz INZHHINHZRMQKT-OIISXLGYSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780743 1257524361 /nfs/dbraw/zinc/52/43/61/1257524361.db2.gz INZHHINHZRMQKT-OIISXLGYSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780743 1257524366 /nfs/dbraw/zinc/52/43/66/1257524366.db2.gz INZHHINHZRMQKT-OIISXLGYSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780743 1257524369 /nfs/dbraw/zinc/52/43/69/1257524369.db2.gz INZHHINHZRMQKT-OIISXLGYSA-N 2 2 361.490 0.151 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781749 1257525181 /nfs/dbraw/zinc/52/51/81/1257525181.db2.gz UOXZYAMCSWOTHH-RVKKMQEKSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781749 1257525191 /nfs/dbraw/zinc/52/51/91/1257525191.db2.gz UOXZYAMCSWOTHH-RVKKMQEKSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781749 1257525193 /nfs/dbraw/zinc/52/51/93/1257525193.db2.gz UOXZYAMCSWOTHH-RVKKMQEKSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781749 1257525197 /nfs/dbraw/zinc/52/51/97/1257525197.db2.gz UOXZYAMCSWOTHH-RVKKMQEKSA-N 2 2 367.469 0.294 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1)OC ZINC001083783100 1257530207 /nfs/dbraw/zinc/53/02/07/1257530207.db2.gz ZZWXSJUGLISSJK-XKQJLSEDSA-N 2 2 366.462 0.470 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1)OC ZINC001083783100 1257530210 /nfs/dbraw/zinc/53/02/10/1257530210.db2.gz ZZWXSJUGLISSJK-XKQJLSEDSA-N 2 2 366.462 0.470 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083863963 1257627218 /nfs/dbraw/zinc/62/72/18/1257627218.db2.gz QPLGSAIVDVXCRX-MOPGFXCFSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083863963 1257627221 /nfs/dbraw/zinc/62/72/21/1257627221.db2.gz QPLGSAIVDVXCRX-MOPGFXCFSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)c1 ZINC001083961252 1257751513 /nfs/dbraw/zinc/75/15/13/1257751513.db2.gz JSULESIFQAPNLP-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)c1 ZINC001083961252 1257751520 /nfs/dbraw/zinc/75/15/20/1257751520.db2.gz JSULESIFQAPNLP-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](O)C2)cc1 ZINC001083998691 1257786834 /nfs/dbraw/zinc/78/68/34/1257786834.db2.gz JQBPFSVUAROAKT-MSOLQXFVSA-N 2 2 358.442 0.673 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](O)C2)cc1 ZINC001083998691 1257786836 /nfs/dbraw/zinc/78/68/36/1257786836.db2.gz JQBPFSVUAROAKT-MSOLQXFVSA-N 2 2 358.442 0.673 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058242 1257871644 /nfs/dbraw/zinc/87/16/44/1257871644.db2.gz QXHYGMXQRCPCCD-MSOLQXFVSA-N 2 2 360.458 0.402 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058242 1257871650 /nfs/dbraw/zinc/87/16/50/1257871650.db2.gz QXHYGMXQRCPCCD-MSOLQXFVSA-N 2 2 360.458 0.402 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)o1 ZINC001084059622 1257875299 /nfs/dbraw/zinc/87/52/99/1257875299.db2.gz QOICEQFYFNGDCO-CABCVRRESA-N 2 2 361.446 0.802 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)o1 ZINC001084059622 1257875307 /nfs/dbraw/zinc/87/53/07/1257875307.db2.gz QOICEQFYFNGDCO-CABCVRRESA-N 2 2 361.446 0.802 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)ccc1C ZINC001084059704 1257876746 /nfs/dbraw/zinc/87/67/46/1257876746.db2.gz VCVDCIKKWVHHHW-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)ccc1C ZINC001084059704 1257876760 /nfs/dbraw/zinc/87/67/60/1257876760.db2.gz VCVDCIKKWVHHHW-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)c1C ZINC001084059440 1257877106 /nfs/dbraw/zinc/87/71/06/1257877106.db2.gz IWRIIBRDYACCEC-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)c1C ZINC001084059440 1257877118 /nfs/dbraw/zinc/87/71/18/1257877118.db2.gz IWRIIBRDYACCEC-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001084060366 1257879566 /nfs/dbraw/zinc/87/95/66/1257879566.db2.gz VLKUBYQTQMWSEE-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001084060366 1257879579 /nfs/dbraw/zinc/87/95/79/1257879579.db2.gz VLKUBYQTQMWSEE-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001084060401 1257879689 /nfs/dbraw/zinc/87/96/89/1257879689.db2.gz WZUAZCYMORKOQJ-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001084060401 1257879698 /nfs/dbraw/zinc/87/96/98/1257879698.db2.gz WZUAZCYMORKOQJ-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078150 1257904548 /nfs/dbraw/zinc/90/45/48/1257904548.db2.gz OKWMFAVAJJPBIU-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078150 1257904552 /nfs/dbraw/zinc/90/45/52/1257904552.db2.gz OKWMFAVAJJPBIU-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078150 1257904557 /nfs/dbraw/zinc/90/45/57/1257904557.db2.gz OKWMFAVAJJPBIU-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078150 1257904562 /nfs/dbraw/zinc/90/45/62/1257904562.db2.gz OKWMFAVAJJPBIU-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091681 1257916019 /nfs/dbraw/zinc/91/60/19/1257916019.db2.gz KEDHYCWLOKDNJN-KURKYZTESA-N 2 2 363.506 0.536 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091681 1257916024 /nfs/dbraw/zinc/91/60/24/1257916024.db2.gz KEDHYCWLOKDNJN-KURKYZTESA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091681 1257916028 /nfs/dbraw/zinc/91/60/28/1257916028.db2.gz KEDHYCWLOKDNJN-KURKYZTESA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091681 1257916036 /nfs/dbraw/zinc/91/60/36/1257916036.db2.gz KEDHYCWLOKDNJN-KURKYZTESA-N 2 2 363.506 0.536 20 0 FCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC001331104308 1266148176 /nfs/dbraw/zinc/14/81/76/1266148176.db2.gz SCEJMSQVFMJKDQ-INIZCTEOSA-N 2 2 357.414 0.181 20 0 FCADLP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084116564 1257935485 /nfs/dbraw/zinc/93/54/85/1257935485.db2.gz WZNQBWSQWWLVNX-KURKYZTESA-N 2 2 358.442 0.340 20 0 FCADLP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084116564 1257935488 /nfs/dbraw/zinc/93/54/88/1257935488.db2.gz WZNQBWSQWWLVNX-KURKYZTESA-N 2 2 358.442 0.340 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC001331118379 1266150436 /nfs/dbraw/zinc/15/04/36/1266150436.db2.gz HSGWMMNHGHPXKK-QBPKDAKJSA-N 2 2 366.506 0.380 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252373 1257989871 /nfs/dbraw/zinc/98/98/71/1257989871.db2.gz WTVMRNONYGJLAU-BHIYHBOVSA-N 2 2 359.470 0.929 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252373 1257989879 /nfs/dbraw/zinc/98/98/79/1257989879.db2.gz WTVMRNONYGJLAU-BHIYHBOVSA-N 2 2 359.470 0.929 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252373 1257989883 /nfs/dbraw/zinc/98/98/83/1257989883.db2.gz WTVMRNONYGJLAU-BHIYHBOVSA-N 2 2 359.470 0.929 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252373 1257989887 /nfs/dbraw/zinc/98/98/87/1257989887.db2.gz WTVMRNONYGJLAU-BHIYHBOVSA-N 2 2 359.470 0.929 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084540081 1258161526 /nfs/dbraw/zinc/16/15/26/1258161526.db2.gz UIMFMEPBMANFKX-BZUAXINKSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084540081 1258161530 /nfs/dbraw/zinc/16/15/30/1258161530.db2.gz UIMFMEPBMANFKX-BZUAXINKSA-N 2 2 369.473 0.664 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663948 1258227145 /nfs/dbraw/zinc/22/71/45/1258227145.db2.gz YFCYUGJINWXWOJ-QZTJIDSGSA-N 2 2 358.486 0.683 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663948 1258227149 /nfs/dbraw/zinc/22/71/49/1258227149.db2.gz YFCYUGJINWXWOJ-QZTJIDSGSA-N 2 2 358.486 0.683 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001084663774 1258227177 /nfs/dbraw/zinc/22/71/77/1258227177.db2.gz QIFQCQVKNDNPGS-LZLYRXPVSA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001084663774 1258227179 /nfs/dbraw/zinc/22/71/79/1258227179.db2.gz QIFQCQVKNDNPGS-LZLYRXPVSA-N 2 2 371.485 0.519 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001084694429 1258248125 /nfs/dbraw/zinc/24/81/25/1258248125.db2.gz CVMQMRFNFYWYSZ-BZUAXINKSA-N 2 2 359.474 0.770 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001084694429 1258248129 /nfs/dbraw/zinc/24/81/29/1258248129.db2.gz CVMQMRFNFYWYSZ-BZUAXINKSA-N 2 2 359.474 0.770 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084743936 1258283004 /nfs/dbraw/zinc/28/30/04/1258283004.db2.gz MHHYWTADPURCMS-RHSMWYFYSA-N 2 2 368.441 0.502 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084743936 1258283011 /nfs/dbraw/zinc/28/30/11/1258283011.db2.gz MHHYWTADPURCMS-RHSMWYFYSA-N 2 2 368.441 0.502 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084775266 1258314702 /nfs/dbraw/zinc/31/47/02/1258314702.db2.gz ZFSKMEYQOBQCDU-NVXWUHKLSA-N 2 2 357.462 0.404 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084775266 1258314710 /nfs/dbraw/zinc/31/47/10/1258314710.db2.gz ZFSKMEYQOBQCDU-NVXWUHKLSA-N 2 2 357.462 0.404 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084777671 1258320864 /nfs/dbraw/zinc/32/08/64/1258320864.db2.gz KIJWFIKFZWRBFA-GDBMZVCRSA-N 2 2 357.458 0.614 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084777671 1258320870 /nfs/dbraw/zinc/32/08/70/1258320870.db2.gz KIJWFIKFZWRBFA-GDBMZVCRSA-N 2 2 357.458 0.614 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084798870 1258337276 /nfs/dbraw/zinc/33/72/76/1258337276.db2.gz HARJXYKWBNVSPH-BFYDXBDKSA-N 2 2 359.474 0.710 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084798870 1258337281 /nfs/dbraw/zinc/33/72/81/1258337281.db2.gz HARJXYKWBNVSPH-BFYDXBDKSA-N 2 2 359.474 0.710 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001084834223 1258380782 /nfs/dbraw/zinc/38/07/82/1258380782.db2.gz QXAWNYCVQINQFC-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001084834223 1258380791 /nfs/dbraw/zinc/38/07/91/1258380791.db2.gz QXAWNYCVQINQFC-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP CC(C)(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084866596 1258409786 /nfs/dbraw/zinc/40/97/86/1258409786.db2.gz YFIPLQTYEWEFHK-BZUAXINKSA-N 2 2 359.474 0.815 20 0 FCADLP 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C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734567 1258820691 /nfs/dbraw/zinc/82/06/91/1258820691.db2.gz AMXKGTKIJAFPIA-OAGGEKHMSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734567 1258820701 /nfs/dbraw/zinc/82/07/01/1258820701.db2.gz AMXKGTKIJAFPIA-OAGGEKHMSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734567 1258820710 /nfs/dbraw/zinc/82/07/10/1258820710.db2.gz AMXKGTKIJAFPIA-OAGGEKHMSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734567 1258820719 /nfs/dbraw/zinc/82/07/19/1258820719.db2.gz AMXKGTKIJAFPIA-OAGGEKHMSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001092748129 1258825465 /nfs/dbraw/zinc/82/54/65/1258825465.db2.gz PPSDXSMFVHTOIT-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001092748129 1258825471 /nfs/dbraw/zinc/82/54/71/1258825471.db2.gz PPSDXSMFVHTOIT-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419489 1258911673 /nfs/dbraw/zinc/91/16/73/1258911673.db2.gz USCHGCMXFLKQDZ-QDIHITRGSA-N 2 2 363.462 0.150 20 0 FCADLP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419489 1258911677 /nfs/dbraw/zinc/91/16/77/1258911677.db2.gz USCHGCMXFLKQDZ-QDIHITRGSA-N 2 2 363.462 0.150 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105648452 1258921701 /nfs/dbraw/zinc/92/17/01/1258921701.db2.gz YHNAAQPKCCIVTL-ZAWLATJESA-N 2 2 364.490 0.622 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105648445 1258922340 /nfs/dbraw/zinc/92/23/40/1258922340.db2.gz YHNAAQPKCCIVTL-FPAYPSAMSA-N 2 2 364.490 0.622 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106804489 1258966508 /nfs/dbraw/zinc/96/65/08/1258966508.db2.gz WOANKKKMQIEKCP-QLFBSQMISA-N 2 2 365.478 0.178 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877066 1258984809 /nfs/dbraw/zinc/98/48/09/1258984809.db2.gz KWRRUAXENDIQMK-NUJGCVRESA-N 2 2 366.506 0.680 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106874396 1258984976 /nfs/dbraw/zinc/98/49/76/1258984976.db2.gz GLTKYVBGDKKPNM-UKRRQHHQSA-N 2 2 361.490 0.898 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107646101 1259141779 /nfs/dbraw/zinc/14/17/79/1259141779.db2.gz CEVPUIPZBWHISG-RDTXWAMCSA-N 2 2 364.494 0.309 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107646101 1259141783 /nfs/dbraw/zinc/14/17/83/1259141783.db2.gz CEVPUIPZBWHISG-RDTXWAMCSA-N 2 2 364.494 0.309 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107646101 1259141784 /nfs/dbraw/zinc/14/17/84/1259141784.db2.gz CEVPUIPZBWHISG-RDTXWAMCSA-N 2 2 364.494 0.309 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107646101 1259141786 /nfs/dbraw/zinc/14/17/86/1259141786.db2.gz CEVPUIPZBWHISG-RDTXWAMCSA-N 2 2 364.494 0.309 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403735 1259158133 /nfs/dbraw/zinc/15/81/33/1259158133.db2.gz WBVYKTWHTWHQHM-PMPSAXMXSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403735 1259158138 /nfs/dbraw/zinc/15/81/38/1259158138.db2.gz WBVYKTWHTWHQHM-PMPSAXMXSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)CC[N@@H+]1C ZINC001127701451 1259184903 /nfs/dbraw/zinc/18/49/03/1259184903.db2.gz OVQSGMKTYCWUJJ-SOUVJXGZSA-N 2 2 365.478 0.900 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)CC[N@H+]1C ZINC001127701451 1259184906 /nfs/dbraw/zinc/18/49/06/1259184906.db2.gz OVQSGMKTYCWUJJ-SOUVJXGZSA-N 2 2 365.478 0.900 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830557 1259243188 /nfs/dbraw/zinc/24/31/88/1259243188.db2.gz UBIZHZHMAILYIZ-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830557 1259243191 /nfs/dbraw/zinc/24/31/91/1259243191.db2.gz UBIZHZHMAILYIZ-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830557 1259243192 /nfs/dbraw/zinc/24/31/92/1259243192.db2.gz UBIZHZHMAILYIZ-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830557 1259243196 /nfs/dbraw/zinc/24/31/96/1259243196.db2.gz UBIZHZHMAILYIZ-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851426 1259248802 /nfs/dbraw/zinc/24/88/02/1259248802.db2.gz MMFITMQUVYIPRC-IXDOHACOSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851426 1259248807 /nfs/dbraw/zinc/24/88/07/1259248807.db2.gz MMFITMQUVYIPRC-IXDOHACOSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851426 1259248812 /nfs/dbraw/zinc/24/88/12/1259248812.db2.gz MMFITMQUVYIPRC-IXDOHACOSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851426 1259248815 /nfs/dbraw/zinc/24/88/15/1259248815.db2.gz MMFITMQUVYIPRC-IXDOHACOSA-N 2 2 364.494 0.531 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001161874225 1259387045 /nfs/dbraw/zinc/38/70/45/1259387045.db2.gz GKAHMHBQGUPBHL-UHFFFAOYSA-N 2 2 369.469 0.976 20 0 FCADLP C[NH+]1CCN(c2ccncc2C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001199356122 1259413989 /nfs/dbraw/zinc/41/39/89/1259413989.db2.gz CLICAEGYAAANQK-KRWDZBQOSA-N 2 2 373.501 0.770 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001331669544 1266262662 /nfs/dbraw/zinc/26/26/62/1266262662.db2.gz SEGCGLOAPIKHSK-IYARVYRRSA-N 2 2 358.486 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001212403041 1259490472 /nfs/dbraw/zinc/49/04/72/1259490472.db2.gz AFWKYVBMTPWOTL-GVDBMIGSSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001212403041 1259490474 /nfs/dbraw/zinc/49/04/74/1259490474.db2.gz AFWKYVBMTPWOTL-GVDBMIGSSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001212403041 1259490477 /nfs/dbraw/zinc/49/04/77/1259490477.db2.gz AFWKYVBMTPWOTL-GVDBMIGSSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001212403041 1259490480 /nfs/dbraw/zinc/49/04/80/1259490480.db2.gz AFWKYVBMTPWOTL-GVDBMIGSSA-N 2 2 368.522 0.589 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)n1 ZINC001212409210 1259493678 /nfs/dbraw/zinc/49/36/78/1259493678.db2.gz APTNSELBMAPUKP-NUJGCVRESA-N 2 2 362.474 0.746 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)n1 ZINC001212409210 1259493681 /nfs/dbraw/zinc/49/36/81/1259493681.db2.gz APTNSELBMAPUKP-NUJGCVRESA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410896 1259495888 /nfs/dbraw/zinc/49/58/88/1259495888.db2.gz YGPNXPSPMDBRJY-BRWVUGGUSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410896 1259495890 /nfs/dbraw/zinc/49/58/90/1259495890.db2.gz YGPNXPSPMDBRJY-BRWVUGGUSA-N 2 2 362.474 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436727 1259505482 /nfs/dbraw/zinc/50/54/82/1259505482.db2.gz HEEZOBWDQWEBNP-OAGGEKHMSA-N 2 2 371.526 0.096 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436727 1259505484 /nfs/dbraw/zinc/50/54/84/1259505484.db2.gz HEEZOBWDQWEBNP-OAGGEKHMSA-N 2 2 371.526 0.096 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436802 1259506320 /nfs/dbraw/zinc/50/63/20/1259506320.db2.gz KPMXDXYURFBPFT-OIISXLGYSA-N 2 2 366.510 0.508 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436802 1259506323 /nfs/dbraw/zinc/50/63/23/1259506323.db2.gz KPMXDXYURFBPFT-OIISXLGYSA-N 2 2 366.510 0.508 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)O1 ZINC001235611409 1259580986 /nfs/dbraw/zinc/58/09/86/1259580986.db2.gz IVQXYUPZGPLZEF-CVEARBPZSA-N 2 2 367.490 0.441 20 0 FCADLP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(C[NH+]2CCOCC2)c1 ZINC001235871449 1259582957 /nfs/dbraw/zinc/58/29/57/1259582957.db2.gz RRUQVWCUPWRJIT-UHFFFAOYSA-N 3 2 361.534 0.103 20 0 FCADLP CCOC(=O)c1ccc(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001239286857 1259624729 /nfs/dbraw/zinc/62/47/29/1259624729.db2.gz QGCQLUTUBQKUSS-UHFFFAOYSA-N 2 2 363.462 0.480 20 0 FCADLP COc1cccc(C2([NH2+]C[C@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)c1 ZINC001246009183 1259643327 /nfs/dbraw/zinc/64/33/27/1259643327.db2.gz SWFOQXFFDVSGIP-QGZVFWFLSA-N 3 2 363.502 0.729 20 0 FCADLP CCCC[C@@H](CC)COC[C@@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053253 1259646068 /nfs/dbraw/zinc/64/60/68/1259646068.db2.gz NLUXDGJMXGULPF-MSOLQXFVSA-N 3 2 374.570 0.696 20 0 FCADLP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053253 1259646077 /nfs/dbraw/zinc/64/60/77/1259646077.db2.gz NLUXDGJMXGULPF-MSOLQXFVSA-N 3 2 374.570 0.696 20 0 FCADLP COC(=O)[C@H]1C[C@@H](N[C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[NH2+]1 ZINC001246192904 1259650289 /nfs/dbraw/zinc/65/02/89/1259650289.db2.gz ZYQFKJNNKVOSQW-IXDOHACOSA-N 2 2 363.458 0.721 20 0 FCADLP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+]([C@@H]1CCC[NH2+]C1)CCC2 ZINC001246697449 1259662066 /nfs/dbraw/zinc/66/20/66/1259662066.db2.gz AOMWQTRHYYFJDZ-QKLQHJQFSA-N 2 2 372.517 0.835 20 0 FCADLP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+]([C@@H]1CCC[NH2+]C1)CCC2 ZINC001246697449 1259662074 /nfs/dbraw/zinc/66/20/74/1259662074.db2.gz AOMWQTRHYYFJDZ-QKLQHJQFSA-N 2 2 372.517 0.835 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717863 1259667773 /nfs/dbraw/zinc/66/77/73/1259667773.db2.gz XFNDEMKZAHYBKE-OWSLCNJRSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717863 1259667781 /nfs/dbraw/zinc/66/77/81/1259667781.db2.gz XFNDEMKZAHYBKE-OWSLCNJRSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717863 1259667789 /nfs/dbraw/zinc/66/77/89/1259667789.db2.gz XFNDEMKZAHYBKE-OWSLCNJRSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717863 1259667797 /nfs/dbraw/zinc/66/77/97/1259667797.db2.gz XFNDEMKZAHYBKE-OWSLCNJRSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C[NH2+]1 ZINC001246743288 1259678022 /nfs/dbraw/zinc/67/80/22/1259678022.db2.gz FQVCYAUKHNXBSR-MVJTYMMSSA-N 2 2 363.433 0.867 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C[NH2+]1 ZINC001246743288 1259678026 /nfs/dbraw/zinc/67/80/26/1259678026.db2.gz FQVCYAUKHNXBSR-MVJTYMMSSA-N 2 2 363.433 0.867 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762661 1259684453 /nfs/dbraw/zinc/68/44/53/1259684453.db2.gz XFNDEMKZAHYBKE-TVFCKZIOSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762661 1259684460 /nfs/dbraw/zinc/68/44/60/1259684460.db2.gz XFNDEMKZAHYBKE-TVFCKZIOSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762661 1259684467 /nfs/dbraw/zinc/68/44/67/1259684467.db2.gz XFNDEMKZAHYBKE-TVFCKZIOSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762661 1259684473 /nfs/dbraw/zinc/68/44/73/1259684473.db2.gz XFNDEMKZAHYBKE-TVFCKZIOSA-N 2 2 361.490 0.467 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2ccc3nccnc3c2)no1 ZINC001247335370 1259701569 /nfs/dbraw/zinc/70/15/69/1259701569.db2.gz XTEYORDPYZEQEQ-LBPRGKRZSA-N 2 2 364.369 0.589 20 0 FCADLP COc1cc(C)ccc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247333354 1259702110 /nfs/dbraw/zinc/70/21/10/1259702110.db2.gz LZCBWQVXLWSNNS-ZDUSSCGKSA-N 2 2 356.386 0.963 20 0 FCADLP CN1CC[NH+](Cc2cccc(-c3noc(C4=NOC5(C[NH2+]C5)C4)n3)c2)CC1 ZINC001247876794 1259706956 /nfs/dbraw/zinc/70/69/56/1259706956.db2.gz YCMUAYKMPVVTJK-UHFFFAOYSA-N 2 2 368.441 0.950 20 0 FCADLP CN1CC[NH+](Cc2cccc(-c3noc(C[C@H]4C[NH2+]CCN4)n3)c2)CC1 ZINC001248359633 1259710090 /nfs/dbraw/zinc/71/00/90/1259710090.db2.gz APSCTLQLNSNVII-KRWDZBQOSA-N 2 2 356.474 0.588 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]2C ZINC001251014791 1259729427 /nfs/dbraw/zinc/72/94/27/1259729427.db2.gz CJCSCAJBPDQUNU-WMZOPIPTSA-N 2 2 365.522 0.793 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]2C ZINC001251014791 1259729437 /nfs/dbraw/zinc/72/94/37/1259729437.db2.gz CJCSCAJBPDQUNU-WMZOPIPTSA-N 2 2 365.522 0.793 20 0 FCADLP COc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC001251035817 1259734065 /nfs/dbraw/zinc/73/40/65/1259734065.db2.gz OHIIKDJSRIOMDC-LJQANCHMSA-N 2 2 363.502 0.942 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251048010 1259735611 /nfs/dbraw/zinc/73/56/11/1259735611.db2.gz AFBXRTDXVBJQSL-VAMGGRTRSA-N 2 2 363.502 0.559 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251048010 1259735617 /nfs/dbraw/zinc/73/56/17/1259735617.db2.gz AFBXRTDXVBJQSL-VAMGGRTRSA-N 2 2 363.502 0.559 20 0 FCADLP COc1ccc(OC[C@@H](O)C[NH2+]CCC(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC001252737995 1259806163 /nfs/dbraw/zinc/80/61/63/1259806163.db2.gz OFBQUGBYSAZSHP-HNNXBMFYSA-N 2 2 362.430 0.497 20 0 FCADLP COc1ccc(OC[C@@H](O)C[NH2+]CCC(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC001252737995 1259806172 /nfs/dbraw/zinc/80/61/72/1259806172.db2.gz OFBQUGBYSAZSHP-HNNXBMFYSA-N 2 2 362.430 0.497 20 0 FCADLP CCC[C@@H](O)C[N@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252781360 1259808126 /nfs/dbraw/zinc/80/81/26/1259808126.db2.gz GYZWHCBMSCZPRN-IAGOWNOFSA-N 2 2 366.506 0.829 20 0 FCADLP CCC[C@@H](O)C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252781360 1259808129 /nfs/dbraw/zinc/80/81/29/1259808129.db2.gz GYZWHCBMSCZPRN-IAGOWNOFSA-N 2 2 366.506 0.829 20 0 FCADLP COc1ccccc1OC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252906937 1259811028 /nfs/dbraw/zinc/81/10/28/1259811028.db2.gz KVYGKJACNGEBCP-HNNXBMFYSA-N 2 2 362.430 0.497 20 0 FCADLP COc1ccccc1OC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252906937 1259811033 /nfs/dbraw/zinc/81/10/33/1259811033.db2.gz KVYGKJACNGEBCP-HNNXBMFYSA-N 2 2 362.430 0.497 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926515 1259812470 /nfs/dbraw/zinc/81/24/70/1259812470.db2.gz RNEUSIUTYDNGCJ-WERVVEIQSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926515 1259812477 /nfs/dbraw/zinc/81/24/77/1259812477.db2.gz RNEUSIUTYDNGCJ-WERVVEIQSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC001252926515 1259812483 /nfs/dbraw/zinc/81/24/83/1259812483.db2.gz RNEUSIUTYDNGCJ-WERVVEIQSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001252926515 1259812489 /nfs/dbraw/zinc/81/24/89/1259812489.db2.gz RNEUSIUTYDNGCJ-WERVVEIQSA-N 2 2 373.497 0.943 20 0 FCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@H+](CC3(O)CCOCC3)C2)CC1 ZINC001252961490 1259815495 /nfs/dbraw/zinc/81/54/95/1259815495.db2.gz QTVXITZFWZQDTH-QGZVFWFLSA-N 2 2 363.506 0.104 20 0 FCADLP C[NH+]1CCN(C[C@H]2Cn3ccnc3C[N@@H+](CC3(O)CCOCC3)C2)CC1 ZINC001252961490 1259815500 /nfs/dbraw/zinc/81/55/00/1259815500.db2.gz QTVXITZFWZQDTH-QGZVFWFLSA-N 2 2 363.506 0.104 20 0 FCADLP C[NH+]1CCN(Cc2cccc(CNC(=O)C[NH+]3CCC(CO)CC3)c2)CC1 ZINC001335752827 1259823109 /nfs/dbraw/zinc/82/31/09/1259823109.db2.gz KQDZDGCPPPKQBN-UHFFFAOYSA-N 2 2 374.529 0.755 20 0 FCADLP CN(C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335774452 1259833085 /nfs/dbraw/zinc/83/30/85/1259833085.db2.gz VMUZDRFYGKJJLU-WMZOPIPTSA-N 2 2 374.489 0.540 20 0 FCADLP CN(C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335774452 1259833089 /nfs/dbraw/zinc/83/30/89/1259833089.db2.gz VMUZDRFYGKJJLU-WMZOPIPTSA-N 2 2 374.489 0.540 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001253389322 1259838252 /nfs/dbraw/zinc/83/82/52/1259838252.db2.gz ZBYGABVDWRUYTJ-LTIDMASMSA-N 2 2 369.506 0.626 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001253389322 1259838255 /nfs/dbraw/zinc/83/82/55/1259838255.db2.gz ZBYGABVDWRUYTJ-LTIDMASMSA-N 2 2 369.506 0.626 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC001254695689 1259893377 /nfs/dbraw/zinc/89/33/77/1259893377.db2.gz DISIPACQYNJZHR-UHFFFAOYSA-N 2 2 364.494 0.208 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@@H+](C1CCOCC1)C2 ZINC001255040127 1259903095 /nfs/dbraw/zinc/90/30/95/1259903095.db2.gz JYUTWRMKXMUTLP-INIZCTEOSA-N 2 2 364.490 0.847 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@H+](C1CCOCC1)C2 ZINC001255040127 1259903100 /nfs/dbraw/zinc/90/31/00/1259903100.db2.gz JYUTWRMKXMUTLP-INIZCTEOSA-N 2 2 364.490 0.847 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4n[nH]c(=O)cc4C3)C2)CC1 ZINC001255208051 1259907803 /nfs/dbraw/zinc/90/78/03/1259907803.db2.gz QICQFLPERRLORQ-AWEZNQCLSA-N 2 2 360.462 0.418 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCc4n[nH]c(=O)cc4C3)C2)CC1 ZINC001255208051 1259907811 /nfs/dbraw/zinc/90/78/11/1259907811.db2.gz QICQFLPERRLORQ-AWEZNQCLSA-N 2 2 360.462 0.418 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H]1CC[N@H+](C)C1)C2 ZINC001255432326 1259913844 /nfs/dbraw/zinc/91/38/44/1259913844.db2.gz PVSMKFBZCBMEOV-IRXDYDNUSA-N 2 2 363.506 0.372 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H]1CC[N@@H+](C)C1)C2 ZINC001255432326 1259913853 /nfs/dbraw/zinc/91/38/53/1259913853.db2.gz PVSMKFBZCBMEOV-IRXDYDNUSA-N 2 2 363.506 0.372 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256079075 1259933980 /nfs/dbraw/zinc/93/39/80/1259933980.db2.gz XBSNZLPFNOKGTG-UHFFFAOYSA-N 2 2 372.513 0.964 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256079075 1259933986 /nfs/dbraw/zinc/93/39/86/1259933986.db2.gz XBSNZLPFNOKGTG-UHFFFAOYSA-N 2 2 372.513 0.964 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001336014952 1259945167 /nfs/dbraw/zinc/94/51/67/1259945167.db2.gz AXWWCHFDKCAKSH-MRXNPFEDSA-N 2 2 358.508 0.033 20 0 FCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001256338494 1259946087 /nfs/dbraw/zinc/94/60/87/1259946087.db2.gz JEFGAKPUKBQROS-MRXNPFEDSA-N 2 2 372.473 0.623 20 0 FCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001256338494 1259946092 /nfs/dbraw/zinc/94/60/92/1259946092.db2.gz JEFGAKPUKBQROS-MRXNPFEDSA-N 2 2 372.473 0.623 20 0 FCADLP C[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC001257086236 1259995464 /nfs/dbraw/zinc/99/54/64/1259995464.db2.gz GDBLAACAVBZXOQ-AKIOZOGOSA-N 2 2 363.462 0.358 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC001258414385 1260050246 /nfs/dbraw/zinc/05/02/46/1260050246.db2.gz UWQWOVQBDHZEOV-OAHLLOKOSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC001258414385 1260050253 /nfs/dbraw/zinc/05/02/53/1260050253.db2.gz UWQWOVQBDHZEOV-OAHLLOKOSA-N 2 2 364.490 0.053 20 0 FCADLP COCc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827015 1260231680 /nfs/dbraw/zinc/23/16/80/1260231680.db2.gz PIWYNGVWPPEALF-LJQANCHMSA-N 2 2 357.458 0.932 20 0 FCADLP COCc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827015 1260231683 /nfs/dbraw/zinc/23/16/83/1260231683.db2.gz PIWYNGVWPPEALF-LJQANCHMSA-N 2 2 357.458 0.932 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@H](C)C1 ZINC001336943571 1260262970 /nfs/dbraw/zinc/26/29/70/1260262970.db2.gz YCYKIWVTFXPBML-IAGOWNOFSA-N 2 2 355.527 0.158 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@H](C)C1 ZINC001336943571 1260262975 /nfs/dbraw/zinc/26/29/75/1260262975.db2.gz YCYKIWVTFXPBML-IAGOWNOFSA-N 2 2 355.527 0.158 20 0 FCADLP CC1([NH+]2CCOCC2)CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001336963375 1260269625 /nfs/dbraw/zinc/26/96/25/1260269625.db2.gz MGFRPIKARCPBMN-UHFFFAOYSA-N 3 2 353.511 0.306 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cnn(C)c1)OC ZINC001263944322 1260357996 /nfs/dbraw/zinc/35/79/96/1260357996.db2.gz ZDQDJNYGHYWYSY-OWCLPIDISA-N 2 2 360.462 0.695 20 0 FCADLP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001337528429 1260422873 /nfs/dbraw/zinc/42/28/73/1260422873.db2.gz HLDAYQIGVJMOJR-JCNLHEQBSA-N 2 2 362.449 0.714 20 0 FCADLP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001337528429 1260422878 /nfs/dbraw/zinc/42/28/78/1260422878.db2.gz HLDAYQIGVJMOJR-JCNLHEQBSA-N 2 2 362.449 0.714 20 0 FCADLP CC[NH+](CC)CCC(=O)N1CC2(C1)COCC(=O)N2Cc1c[nH+]cn1C ZINC001272643072 1260471569 /nfs/dbraw/zinc/47/15/69/1260471569.db2.gz UNDGSUXNAOCRFS-UHFFFAOYSA-N 2 2 363.462 0.092 20 0 FCADLP CN(CC(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1)c1cccc[nH+]1 ZINC001272724038 1260489090 /nfs/dbraw/zinc/48/90/90/1260489090.db2.gz IBDSSKDXYZTANE-IBGZPJMESA-N 2 2 359.474 0.530 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001272867298 1260520305 /nfs/dbraw/zinc/52/03/05/1260520305.db2.gz FNMYLYACOXPTJI-HDICACEKSA-N 2 2 368.522 0.025 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001272867298 1260520312 /nfs/dbraw/zinc/52/03/12/1260520312.db2.gz FNMYLYACOXPTJI-HDICACEKSA-N 2 2 368.522 0.025 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001272868959 1260521383 /nfs/dbraw/zinc/52/13/83/1260521383.db2.gz ZLAWBWQIPIQTAV-UHFFFAOYSA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001272868959 1260521388 /nfs/dbraw/zinc/52/13/88/1260521388.db2.gz ZLAWBWQIPIQTAV-UHFFFAOYSA-N 2 2 368.522 0.169 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)CC1 ZINC001272905862 1260525326 /nfs/dbraw/zinc/52/53/26/1260525326.db2.gz SLCNFRAPHLOBNS-GOSISDBHSA-N 2 2 359.474 0.961 20 0 FCADLP Cn1c(C[NH+]2CCC(C(N)=O)CC2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001338060473 1260547465 /nfs/dbraw/zinc/54/74/65/1260547465.db2.gz PJEWSGILIFQKDB-UHFFFAOYSA-N 2 2 361.494 0.044 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001278182133 1260685510 /nfs/dbraw/zinc/68/55/10/1260685510.db2.gz LQDLPMADRIPOND-OTWHNJEPSA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001278182133 1260685515 /nfs/dbraw/zinc/68/55/15/1260685515.db2.gz LQDLPMADRIPOND-OTWHNJEPSA-N 2 2 361.490 0.527 20 0 FCADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2c[nH]c3nccnc23)c[nH+]1 ZINC001278852892 1260742226 /nfs/dbraw/zinc/74/22/26/1260742226.db2.gz HKGOYTWYHFWYFH-IYBDPMFKSA-N 2 2 353.430 0.691 20 0 FCADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2c[nH]c3nccnc23)c[nH+]1 ZINC001278852892 1260742229 /nfs/dbraw/zinc/74/22/29/1260742229.db2.gz HKGOYTWYHFWYFH-IYBDPMFKSA-N 2 2 353.430 0.691 20 0 FCADLP c1cn(CCN2CCO[C@@]3(CCC[N@H+](CCN4CCOCC4)C3)C2)c[nH+]1 ZINC001279245924 1260809750 /nfs/dbraw/zinc/80/97/50/1260809750.db2.gz IVJGMSJMARAQQY-LJQANCHMSA-N 2 2 363.506 0.382 20 0 FCADLP c1cn(CCN2CCO[C@@]3(CCC[N@@H+](CCN4CCOCC4)C3)C2)c[nH+]1 ZINC001279245924 1260809757 /nfs/dbraw/zinc/80/97/57/1260809757.db2.gz IVJGMSJMARAQQY-LJQANCHMSA-N 2 2 363.506 0.382 20 0 FCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)nc1 ZINC001279633914 1260904789 /nfs/dbraw/zinc/90/47/89/1260904789.db2.gz ARHMNSUUVAKBHJ-MSOLQXFVSA-N 2 2 362.474 0.705 20 0 FCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)nc1 ZINC001279633914 1260904792 /nfs/dbraw/zinc/90/47/92/1260904792.db2.gz ARHMNSUUVAKBHJ-MSOLQXFVSA-N 2 2 362.474 0.705 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@H+](Cc4ncc[nH]4)C[C@@H]3O2)CC1 ZINC001279757717 1260929991 /nfs/dbraw/zinc/92/99/91/1260929991.db2.gz GZHMMKKFBOZZMU-PVAVHDDUSA-N 2 2 361.490 0.942 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@@H+](Cc4ncc[nH]4)C[C@@H]3O2)CC1 ZINC001279757717 1260929997 /nfs/dbraw/zinc/92/99/97/1260929997.db2.gz GZHMMKKFBOZZMU-PVAVHDDUSA-N 2 2 361.490 0.942 20 0 FCADLP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280221688 1261038722 /nfs/dbraw/zinc/03/87/22/1261038722.db2.gz ZWLIZJOMJGZUCD-IAGOWNOFSA-N 3 2 368.522 0.071 20 0 FCADLP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280221688 1261038727 /nfs/dbraw/zinc/03/87/27/1261038727.db2.gz ZWLIZJOMJGZUCD-IAGOWNOFSA-N 3 2 368.522 0.071 20 0 FCADLP CC[NH+]1CCC(C[N@@H+]2CCc3c([nH]nc3C(=O)NCC3COC3)C2)CC1 ZINC001280251098 1261042052 /nfs/dbraw/zinc/04/20/52/1261042052.db2.gz ULTFHCWSUXKZPV-UHFFFAOYSA-N 2 2 361.490 0.876 20 0 FCADLP CC[NH+]1CCC(C[N@H+]2CCc3c([nH]nc3C(=O)NCC3COC3)C2)CC1 ZINC001280251098 1261042056 /nfs/dbraw/zinc/04/20/56/1261042056.db2.gz ULTFHCWSUXKZPV-UHFFFAOYSA-N 2 2 361.490 0.876 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001281847680 1261230634 /nfs/dbraw/zinc/23/06/34/1261230634.db2.gz LVCKBISTDCPLLE-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001281847680 1261230637 /nfs/dbraw/zinc/23/06/37/1261230637.db2.gz LVCKBISTDCPLLE-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001282306160 1261410757 /nfs/dbraw/zinc/41/07/57/1261410757.db2.gz FBKCKRQLAQTMOW-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001282306160 1261410759 /nfs/dbraw/zinc/41/07/59/1261410759.db2.gz FBKCKRQLAQTMOW-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC001332510953 1266419610 /nfs/dbraw/zinc/41/96/10/1266419610.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 3 2 364.542 0.620 20 0 FCADLP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC001332510953 1266419616 /nfs/dbraw/zinc/41/96/16/1266419616.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 3 2 364.542 0.620 20 0 FCADLP CC[NH+]1CCC[C@@H]1Cn1nnnc1N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001332510953 1266419617 /nfs/dbraw/zinc/41/96/17/1266419617.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 3 2 364.542 0.620 20 0 FCADLP CC[NH+]1CCC[C@@H]1Cn1nnnc1N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001332510953 1266419620 /nfs/dbraw/zinc/41/96/20/1266419620.db2.gz MSLZWQSAUOBMEQ-QGZVFWFLSA-N 3 2 364.542 0.620 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284592635 1261769159 /nfs/dbraw/zinc/76/91/59/1261769159.db2.gz WBNUAHZDEVKXHU-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284592635 1261769164 /nfs/dbraw/zinc/76/91/64/1261769164.db2.gz WBNUAHZDEVKXHU-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001284997984 1261802525 /nfs/dbraw/zinc/80/25/25/1261802525.db2.gz RMJWNUMUKQDRFC-FVQBIDKESA-N 2 2 359.474 0.440 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001284997984 1261802535 /nfs/dbraw/zinc/80/25/35/1261802535.db2.gz RMJWNUMUKQDRFC-FVQBIDKESA-N 2 2 359.474 0.440 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC001289991067 1262373625 /nfs/dbraw/zinc/37/36/25/1262373625.db2.gz JMNDHLFKWTYBRN-BZUAXINKSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC001289991067 1262373628 /nfs/dbraw/zinc/37/36/28/1262373628.db2.gz JMNDHLFKWTYBRN-BZUAXINKSA-N 2 2 361.490 0.752 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001295986283 1262788399 /nfs/dbraw/zinc/78/83/99/1262788399.db2.gz YYORLUKINDJIBB-IKGGRYGDSA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001295986283 1262788402 /nfs/dbraw/zinc/78/84/02/1262788402.db2.gz YYORLUKINDJIBB-IKGGRYGDSA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001295986283 1262788404 /nfs/dbraw/zinc/78/84/04/1262788404.db2.gz YYORLUKINDJIBB-IKGGRYGDSA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001295986283 1262788408 /nfs/dbraw/zinc/78/84/08/1262788408.db2.gz YYORLUKINDJIBB-IKGGRYGDSA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089571 1263127961 /nfs/dbraw/zinc/12/79/61/1263127961.db2.gz BPEUVHGVBMSRCZ-OWCLPIDISA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089571 1263127967 /nfs/dbraw/zinc/12/79/67/1263127967.db2.gz BPEUVHGVBMSRCZ-OWCLPIDISA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089571 1263127972 /nfs/dbraw/zinc/12/79/72/1263127972.db2.gz BPEUVHGVBMSRCZ-OWCLPIDISA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089571 1263127977 /nfs/dbraw/zinc/12/79/77/1263127977.db2.gz BPEUVHGVBMSRCZ-OWCLPIDISA-N 2 2 374.445 0.079 20 0 FCADLP Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001304855770 1263151993 /nfs/dbraw/zinc/15/19/93/1263151993.db2.gz PXCYMRLNENOGDG-SFHVURJKSA-N 2 2 357.462 0.375 20 0 FCADLP Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001304855770 1263151998 /nfs/dbraw/zinc/15/19/98/1263151998.db2.gz PXCYMRLNENOGDG-SFHVURJKSA-N 2 2 357.462 0.375 20 0 FCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1CCC[NH+]1CCOCC1 ZINC001306209660 1263180425 /nfs/dbraw/zinc/18/04/25/1263180425.db2.gz KBOBUTIKNJQJSU-UHFFFAOYSA-N 2 2 366.510 0.331 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001479511139 1263236081 /nfs/dbraw/zinc/23/60/81/1263236081.db2.gz OKPDNYBBICVNRE-ISTRZQFTSA-N 2 2 360.462 0.613 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC001313400606 1263315199 /nfs/dbraw/zinc/31/51/99/1263315199.db2.gz FDJFBEBEOUSDSG-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC001313400606 1263315212 /nfs/dbraw/zinc/31/52/12/1263315212.db2.gz FDJFBEBEOUSDSG-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001313400606 1263315227 /nfs/dbraw/zinc/31/52/27/1263315227.db2.gz FDJFBEBEOUSDSG-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001313400606 1263315237 /nfs/dbraw/zinc/31/52/37/1263315237.db2.gz FDJFBEBEOUSDSG-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1nnc2n1CCCC2 ZINC001319246246 1263669032 /nfs/dbraw/zinc/66/90/32/1263669032.db2.gz QGHHASZCTMFVGQ-RRFJBIMHSA-N 2 2 371.489 0.994 20 0 FCADLP C[C@@H](CCN1CC[NH+](C(C)(C)CO)CC1)N1CC[NH+](C(C)(C)CO)CC1 ZINC001319389192 1263687395 /nfs/dbraw/zinc/68/73/95/1263687395.db2.gz NILUKWKPDVFDFN-SFHVURJKSA-N 2 2 370.582 0.542 20 0 FCADLP C[C@@H](CCN1CC[NH+](C(C)(C)CO)CC1)[NH+]1CCN(C(C)(C)CO)CC1 ZINC001319389192 1263687403 /nfs/dbraw/zinc/68/74/03/1263687403.db2.gz NILUKWKPDVFDFN-SFHVURJKSA-N 2 2 370.582 0.542 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001320376416 1263789670 /nfs/dbraw/zinc/78/96/70/1263789670.db2.gz OUMJOQGIDRDARR-NEWSRXKRSA-N 2 2 364.534 0.724 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001320376416 1263789675 /nfs/dbraw/zinc/78/96/75/1263789675.db2.gz OUMJOQGIDRDARR-NEWSRXKRSA-N 2 2 364.534 0.724 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(CCO)C3CCOCC3)CC2)CC1 ZINC001320513862 1263808530 /nfs/dbraw/zinc/80/85/30/1263808530.db2.gz NHZZPOFXDGUGMT-UHFFFAOYSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC001320901664 1263876651 /nfs/dbraw/zinc/87/66/51/1263876651.db2.gz XVJCKTJSXPQSDH-CVEARBPZSA-N 2 2 361.490 0.879 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC001320901664 1263876666 /nfs/dbraw/zinc/87/66/66/1263876666.db2.gz XVJCKTJSXPQSDH-CVEARBPZSA-N 2 2 361.490 0.879 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC001321792076 1264064620 /nfs/dbraw/zinc/06/46/20/1264064620.db2.gz ZXJKDHJVMYXFMH-UHFFFAOYSA-N 2 2 365.478 0.085 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC001321792076 1264064630 /nfs/dbraw/zinc/06/46/30/1264064630.db2.gz ZXJKDHJVMYXFMH-UHFFFAOYSA-N 2 2 365.478 0.085 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001321903076 1264094415 /nfs/dbraw/zinc/09/44/15/1264094415.db2.gz UXVUKXABJHJGHQ-OAHLLOKOSA-N 2 2 361.490 0.802 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001321946250 1264107048 /nfs/dbraw/zinc/10/70/48/1264107048.db2.gz WLSGBZUBSUHBOW-AWEZNQCLSA-N 2 2 360.462 0.997 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@]3(C)CCOC3)CC2)CC1 ZINC001322203009 1264165461 /nfs/dbraw/zinc/16/54/61/1264165461.db2.gz UVZWOPWHVNVTQZ-IBGZPJMESA-N 2 2 366.506 0.204 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001322783689 1264263638 /nfs/dbraw/zinc/26/36/38/1264263638.db2.gz ZLXMDDNXFVCFNE-GOSISDBHSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001322783689 1264263643 /nfs/dbraw/zinc/26/36/43/1264263643.db2.gz ZLXMDDNXFVCFNE-GOSISDBHSA-N 2 2 372.513 0.938 20 0 FCADLP COCC1=CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322993745 1264310584 /nfs/dbraw/zinc/31/05/84/1264310584.db2.gz OGUQFVARHLAJAT-INIZCTEOSA-N 2 2 364.490 0.076 20 0 FCADLP COCC1=CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322993745 1264310596 /nfs/dbraw/zinc/31/05/96/1264310596.db2.gz OGUQFVARHLAJAT-INIZCTEOSA-N 2 2 364.490 0.076 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001323541039 1264451238 /nfs/dbraw/zinc/45/12/38/1264451238.db2.gz HIBITGHDRXYBCR-RRFJBIMHSA-N 2 2 361.490 0.923 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](C2CC2)N(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001510379596 1264496931 /nfs/dbraw/zinc/49/69/31/1264496931.db2.gz KARKSXVJQNQLAS-XYPHTWIQSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](C2CC2)N(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001510379596 1264496934 /nfs/dbraw/zinc/49/69/34/1264496934.db2.gz KARKSXVJQNQLAS-XYPHTWIQSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)[nH+]1 ZINC001324299466 1264614646 /nfs/dbraw/zinc/61/46/46/1264614646.db2.gz TVKTUFAKJUXESC-INIZCTEOSA-N 2 2 359.474 0.990 20 0 FCADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC(C(N)=O)CC2)[nH+]1 ZINC001324299466 1264614647 /nfs/dbraw/zinc/61/46/47/1264614647.db2.gz TVKTUFAKJUXESC-INIZCTEOSA-N 2 2 359.474 0.990 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001325421461 1264880819 /nfs/dbraw/zinc/88/08/19/1264880819.db2.gz BXFBJSCTPPCQOT-QGZVFWFLSA-N 2 2 360.458 0.085 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1[nH+]ccn1C ZINC001580405742 1278237330 /nfs/dbraw/zinc/23/73/30/1278237330.db2.gz GCGLISSTZZOWRP-LLVKDONJSA-N 2 2 374.474 0.889 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC001326277396 1265091365 /nfs/dbraw/zinc/09/13/65/1265091365.db2.gz LSIISKSKUYUNNF-DZGCQCFKSA-N 2 2 358.446 0.103 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC001326277396 1265091373 /nfs/dbraw/zinc/09/13/73/1265091373.db2.gz LSIISKSKUYUNNF-DZGCQCFKSA-N 2 2 358.446 0.103 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001513429524 1265119312 /nfs/dbraw/zinc/11/93/12/1265119312.db2.gz QVNSKRZVRUOWMM-HUUCEWRRSA-N 2 2 365.478 0.272 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001513429524 1265119315 /nfs/dbraw/zinc/11/93/15/1265119315.db2.gz QVNSKRZVRUOWMM-HUUCEWRRSA-N 2 2 365.478 0.272 20 0 FCADLP C[NH2+][C@@H](C)Cc1noc(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001326486323 1265121769 /nfs/dbraw/zinc/12/17/69/1265121769.db2.gz OESVAUGNIVXQOQ-AWEZNQCLSA-N 2 2 358.446 0.896 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC001326625253 1265145593 /nfs/dbraw/zinc/14/55/93/1265145593.db2.gz YJIZRBLFTWWEIF-KRWDZBQOSA-N 2 2 356.470 0.814 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC001326625253 1265145596 /nfs/dbraw/zinc/14/55/96/1265145596.db2.gz YJIZRBLFTWWEIF-KRWDZBQOSA-N 2 2 356.470 0.814 20 0 FCADLP C[C@H](O)CN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC001326856312 1265184607 /nfs/dbraw/zinc/18/46/07/1265184607.db2.gz QTWLKZOWCSNXMJ-AWEZNQCLSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](CO)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327366650 1265291179 /nfs/dbraw/zinc/29/11/79/1265291179.db2.gz DJMZWHPHADRWRQ-WBVHZDCISA-N 2 2 368.522 0.138 20 0 FCADLP C[C@@H](CO)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327366650 1265291188 /nfs/dbraw/zinc/29/11/88/1265291188.db2.gz DJMZWHPHADRWRQ-WBVHZDCISA-N 2 2 368.522 0.138 20 0 FCADLP CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCn1cc[nH+]c1C ZINC001513933481 1265299401 /nfs/dbraw/zinc/29/94/01/1265299401.db2.gz FGJUMQCAMAIYEK-MRXNPFEDSA-N 2 2 359.478 0.957 20 0 FCADLP CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCn1cc[nH+]c1C ZINC001513933481 1265299417 /nfs/dbraw/zinc/29/94/17/1265299417.db2.gz FGJUMQCAMAIYEK-MRXNPFEDSA-N 2 2 359.478 0.957 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001514019731 1265316257 /nfs/dbraw/zinc/31/62/57/1265316257.db2.gz IIRXJSUVLWTOKV-ZMSDIMECSA-N 2 2 361.490 0.989 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CCC(C)(O)CC1 ZINC001332765496 1266472550 /nfs/dbraw/zinc/47/25/50/1266472550.db2.gz CEIWVUWBASGYBX-UHFFFAOYSA-N 2 2 368.522 0.281 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CCC(C)(O)CC1 ZINC001332765496 1266472556 /nfs/dbraw/zinc/47/25/56/1266472556.db2.gz CEIWVUWBASGYBX-UHFFFAOYSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC001332966536 1266513009 /nfs/dbraw/zinc/51/30/09/1266513009.db2.gz NWMJBQOQOCJSGE-QGZVFWFLSA-N 2 2 356.478 0.875 20 0 FCADLP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC001332966536 1266513015 /nfs/dbraw/zinc/51/30/15/1266513015.db2.gz NWMJBQOQOCJSGE-QGZVFWFLSA-N 2 2 356.478 0.875 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cn1 ZINC001332975591 1266514006 /nfs/dbraw/zinc/51/40/06/1266514006.db2.gz JSDBMARBVHAIMZ-UHFFFAOYSA-N 2 2 370.457 0.695 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001333162499 1266544736 /nfs/dbraw/zinc/54/47/36/1266544736.db2.gz FSJGVLHWBPFIRM-JQHSSLGASA-N 2 2 356.470 0.712 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CCc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC001523220296 1266614568 /nfs/dbraw/zinc/61/45/68/1266614568.db2.gz DIDBPZQXOJHXTK-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(NC(=O)CCc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC001523220296 1266614582 /nfs/dbraw/zinc/61/45/82/1266614582.db2.gz DIDBPZQXOJHXTK-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001334257413 1266912964 /nfs/dbraw/zinc/91/29/64/1266912964.db2.gz ZJXROAANSSZNCF-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001334257413 1266912975 /nfs/dbraw/zinc/91/29/75/1266912975.db2.gz ZJXROAANSSZNCF-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001530769210 1267114553 /nfs/dbraw/zinc/11/45/53/1267114553.db2.gz JWQROHWZQHYBSF-HUUCEWRRSA-N 2 2 356.430 0.303 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001548488574 1267727239 /nfs/dbraw/zinc/72/72/39/1267727239.db2.gz LHNNHIUIFFHMIL-IBGZPJMESA-N 2 2 361.486 0.569 20 0 FCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC001548897267 1267766605 /nfs/dbraw/zinc/76/66/05/1267766605.db2.gz MPYVIPCWWZVMJS-MRRJBJDNSA-N 2 2 362.478 0.864 20 0 FCADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC001549117833 1267813456 /nfs/dbraw/zinc/81/34/56/1267813456.db2.gz TVOBTEBZVHPNHU-JLSDUUJJSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC001549117833 1267813479 /nfs/dbraw/zinc/81/34/79/1267813479.db2.gz TVOBTEBZVHPNHU-JLSDUUJJSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C1CC1 ZINC001549117833 1267813491 /nfs/dbraw/zinc/81/34/91/1267813491.db2.gz TVOBTEBZVHPNHU-JLSDUUJJSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C1CC1 ZINC001549117833 1267813504 /nfs/dbraw/zinc/81/35/04/1267813504.db2.gz TVOBTEBZVHPNHU-JLSDUUJJSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC001549152718 1267829788 /nfs/dbraw/zinc/82/97/88/1267829788.db2.gz FLNQNAFSHFPFOX-CJNGLKHVSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC001549152924 1267830754 /nfs/dbraw/zinc/83/07/54/1267830754.db2.gz GSCCYHOYPHDGNZ-YOEHRIQHSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001549176808 1267853421 /nfs/dbraw/zinc/85/34/21/1267853421.db2.gz XKXQQBBOVYNRDX-LDDOYCOJSA-N 2 2 374.489 0.771 20 0 FCADLP Cc1cnn([C@@H]2[C@@H](O)C[C@@H]2[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC001549194804 1267856404 /nfs/dbraw/zinc/85/64/04/1267856404.db2.gz LFFKPVZRQKXRRL-FHWLQOOXSA-N 2 2 363.506 0.252 20 0 FCADLP CN(C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC001549336333 1267903030 /nfs/dbraw/zinc/90/30/30/1267903030.db2.gz HUSXKXXPBNPTPI-RLFYNMQTSA-N 2 2 374.489 0.960 20 0 FCADLP CN(C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC001549336333 1267903040 /nfs/dbraw/zinc/90/30/40/1267903040.db2.gz HUSXKXXPBNPTPI-RLFYNMQTSA-N 2 2 374.489 0.960 20 0 FCADLP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC([N@@H+]2CC[C@H](O)C2)C1 ZINC001549365616 1267910755 /nfs/dbraw/zinc/91/07/55/1267910755.db2.gz PSCXEZNLXUNWFN-BBWFWOEESA-N 2 2 364.490 0.090 20 0 FCADLP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC([N@H+]2CC[C@H](O)C2)C1 ZINC001549365616 1267910760 /nfs/dbraw/zinc/91/07/60/1267910760.db2.gz PSCXEZNLXUNWFN-BBWFWOEESA-N 2 2 364.490 0.090 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC001549880173 1268012391 /nfs/dbraw/zinc/01/23/91/1268012391.db2.gz CGUKHSRSPDIMSX-GJZGRUSLSA-N 2 2 361.446 0.408 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001549995106 1268035253 /nfs/dbraw/zinc/03/52/53/1268035253.db2.gz BSYQWGRFHOSEFQ-KZNAEPCWSA-N 2 2 352.523 0.724 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001549995106 1268035265 /nfs/dbraw/zinc/03/52/65/1268035265.db2.gz BSYQWGRFHOSEFQ-KZNAEPCWSA-N 2 2 352.523 0.724 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001550020099 1268052548 /nfs/dbraw/zinc/05/25/48/1268052548.db2.gz XCFZNVFCKYOPFU-XJKSGUPXSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001550020099 1268052556 /nfs/dbraw/zinc/05/25/56/1268052556.db2.gz XCFZNVFCKYOPFU-XJKSGUPXSA-N 2 2 362.478 0.866 20 0 FCADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550116798 1268079316 /nfs/dbraw/zinc/07/93/16/1268079316.db2.gz RVCDWJQJVUJLEP-SJORKVTESA-N 2 2 360.506 0.578 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCOC[C@@H]3[NH3+])C2)c1 ZINC001550283697 1268103771 /nfs/dbraw/zinc/10/37/71/1268103771.db2.gz ZNJLRMHIHHRGBD-FGTMMUONSA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCOC[C@@H]3[NH3+])C2)c1 ZINC001550283697 1268103774 /nfs/dbraw/zinc/10/37/74/1268103774.db2.gz ZNJLRMHIHHRGBD-FGTMMUONSA-N 2 2 362.474 0.611 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC001550366441 1268108521 /nfs/dbraw/zinc/10/85/21/1268108521.db2.gz LMRUFAQTJWVFQA-YRXWBPOGSA-N 2 2 370.497 0.915 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC001550366441 1268108523 /nfs/dbraw/zinc/10/85/23/1268108523.db2.gz LMRUFAQTJWVFQA-YRXWBPOGSA-N 2 2 370.497 0.915 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[N@@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001550366441 1268108528 /nfs/dbraw/zinc/10/85/28/1268108528.db2.gz LMRUFAQTJWVFQA-YRXWBPOGSA-N 2 2 370.497 0.915 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[N@H+]3Cc3ccccc3)C[C@H]2C1 ZINC001550366441 1268108531 /nfs/dbraw/zinc/10/85/31/1268108531.db2.gz LMRUFAQTJWVFQA-YRXWBPOGSA-N 2 2 370.497 0.915 20 0 FCADLP C[N@@H+]1C[C@@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC001550401125 1268111865 /nfs/dbraw/zinc/11/18/65/1268111865.db2.gz JBJIUHSVLBFJRP-QZTJIDSGSA-N 2 2 359.470 0.897 20 0 FCADLP C[N@H+]1C[C@@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC001550401125 1268111871 /nfs/dbraw/zinc/11/18/71/1268111871.db2.gz JBJIUHSVLBFJRP-QZTJIDSGSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC001550401125 1268111873 /nfs/dbraw/zinc/11/18/73/1268111873.db2.gz JBJIUHSVLBFJRP-QZTJIDSGSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC001550401125 1268111879 /nfs/dbraw/zinc/11/18/79/1268111879.db2.gz JBJIUHSVLBFJRP-QZTJIDSGSA-N 2 2 359.470 0.897 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C2)c1 ZINC001550727995 1268158162 /nfs/dbraw/zinc/15/81/62/1268158162.db2.gz XEKPHKFGKGERMS-YRXWBPOGSA-N 2 2 359.470 0.831 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C2)c1 ZINC001550727995 1268158166 /nfs/dbraw/zinc/15/81/66/1268158166.db2.gz XEKPHKFGKGERMS-YRXWBPOGSA-N 2 2 359.470 0.831 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@H](C(F)F)n3cc[nH+]c3)CC2)C1=O ZINC001550791599 1268169309 /nfs/dbraw/zinc/16/93/09/1268169309.db2.gz YVZCDVYXIZFOED-ZIAGYGMSSA-N 2 2 369.416 0.891 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551596333 1268282062 /nfs/dbraw/zinc/28/20/62/1268282062.db2.gz SUTTVBMZZMFODY-HLLBOEOZSA-N 2 2 374.489 0.566 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936237 1268313705 /nfs/dbraw/zinc/31/37/05/1268313705.db2.gz FVMBYRHHEHQNQW-BZUAXINKSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936237 1268313718 /nfs/dbraw/zinc/31/37/18/1268313718.db2.gz FVMBYRHHEHQNQW-BZUAXINKSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933608 1268313802 /nfs/dbraw/zinc/31/38/02/1268313802.db2.gz CSYYQWIYONHIAE-KFWWJZLASA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933608 1268313814 /nfs/dbraw/zinc/31/38/14/1268313814.db2.gz CSYYQWIYONHIAE-KFWWJZLASA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551938597 1268315682 /nfs/dbraw/zinc/31/56/82/1268315682.db2.gz KKZDBEZJMZZXJU-KLHDSHLOSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551938597 1268315691 /nfs/dbraw/zinc/31/56/91/1268315691.db2.gz KKZDBEZJMZZXJU-KLHDSHLOSA-N 2 2 374.489 0.786 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2=[NH+]O[C@H](CO)C2)n1C ZINC001339791702 1268331413 /nfs/dbraw/zinc/33/14/13/1268331413.db2.gz ZNCWEFQCDRQCSO-ZDUSSCGKSA-N 2 2 366.466 0.095 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001552013049 1268352744 /nfs/dbraw/zinc/35/27/44/1268352744.db2.gz XXBTZAPMFNEPOP-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552116044 1268379839 /nfs/dbraw/zinc/37/98/39/1268379839.db2.gz QIWZBFHVLSOTFZ-HZPDHXFCSA-N 2 2 365.478 0.955 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001552124686 1268383338 /nfs/dbraw/zinc/38/33/38/1268383338.db2.gz NBVGHNSXMGJEKE-QBPKDAKJSA-N 2 2 359.474 0.947 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001552124686 1268383346 /nfs/dbraw/zinc/38/33/46/1268383346.db2.gz NBVGHNSXMGJEKE-QBPKDAKJSA-N 2 2 359.474 0.947 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001580499950 1278408389 /nfs/dbraw/zinc/40/83/89/1278408389.db2.gz XRFJBVHCYKKTQD-UHFFFAOYSA-N 2 2 366.429 0.689 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]21 ZINC001552276153 1268430976 /nfs/dbraw/zinc/43/09/76/1268430976.db2.gz HFEYSECEWCIZSU-UXHICEINSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]21 ZINC001552276153 1268430980 /nfs/dbraw/zinc/43/09/80/1268430980.db2.gz HFEYSECEWCIZSU-UXHICEINSA-N 2 2 359.470 0.950 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001580499693 1278410757 /nfs/dbraw/zinc/41/07/57/1278410757.db2.gz POZPXMNVBGRIIP-OAHLLOKOSA-N 2 2 366.429 0.831 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001580499693 1278410760 /nfs/dbraw/zinc/41/07/60/1278410760.db2.gz POZPXMNVBGRIIP-OAHLLOKOSA-N 2 2 366.429 0.831 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001552601360 1268485539 /nfs/dbraw/zinc/48/55/39/1268485539.db2.gz ZAKNHPRIBKGWPA-GJZGRUSLSA-N 2 2 358.450 0.508 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nn1 ZINC001552695355 1268523425 /nfs/dbraw/zinc/52/34/25/1268523425.db2.gz ULMATRDBONAGQT-ZMSDIMECSA-N 2 2 362.478 0.657 20 0 FCADLP C[NH+](C)C1CC(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC001552811817 1268552741 /nfs/dbraw/zinc/55/27/41/1268552741.db2.gz WDSIODFYLQQVFV-JTTJXQCZSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+](C)C1CC(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC001552811817 1268552745 /nfs/dbraw/zinc/55/27/45/1268552745.db2.gz WDSIODFYLQQVFV-JTTJXQCZSA-N 2 2 354.495 0.242 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001552830182 1268555371 /nfs/dbraw/zinc/55/53/71/1268555371.db2.gz GXWQOTPVVPJXIK-VQIMIIECSA-N 2 2 350.507 0.921 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001552830182 1268555375 /nfs/dbraw/zinc/55/53/75/1268555375.db2.gz GXWQOTPVVPJXIK-VQIMIIECSA-N 2 2 350.507 0.921 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552855328 1268561637 /nfs/dbraw/zinc/56/16/37/1268561637.db2.gz WPKZPSNFWPFFQQ-YCPHGPKFSA-N 2 2 350.467 0.561 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552855328 1268561641 /nfs/dbraw/zinc/56/16/41/1268561641.db2.gz WPKZPSNFWPFFQQ-YCPHGPKFSA-N 2 2 350.467 0.561 20 0 FCADLP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995806 1268574129 /nfs/dbraw/zinc/57/41/29/1268574129.db2.gz LBELDLHZQRSCIE-KMOPNRPKSA-N 2 2 368.522 0.486 20 0 FCADLP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995806 1268574133 /nfs/dbraw/zinc/57/41/33/1268574133.db2.gz LBELDLHZQRSCIE-KMOPNRPKSA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995806 1268574140 /nfs/dbraw/zinc/57/41/40/1268574140.db2.gz LBELDLHZQRSCIE-KMOPNRPKSA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995806 1268574145 /nfs/dbraw/zinc/57/41/45/1268574145.db2.gz LBELDLHZQRSCIE-KMOPNRPKSA-N 2 2 368.522 0.486 20 0 FCADLP O=C(c1cccnc1Cl)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001553013978 1268578234 /nfs/dbraw/zinc/57/82/34/1268578234.db2.gz IWQVAQVUSSBANZ-ZDUSSCGKSA-N 2 2 350.850 0.871 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cnn([C@H]3CCC[NH2+]C3)c1)C2 ZINC001340667420 1268619450 /nfs/dbraw/zinc/61/94/50/1268619450.db2.gz SFLXFQNXYYMYPB-CVEARBPZSA-N 2 2 372.473 0.592 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1 ZINC001553428092 1268648530 /nfs/dbraw/zinc/64/85/30/1268648530.db2.gz UTLBKXMBPVTMIH-QAPCUYQASA-N 2 2 354.495 0.494 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001340776585 1268653275 /nfs/dbraw/zinc/65/32/75/1268653275.db2.gz KZVVCSQZDBEDRC-UKRRQHHQSA-N 2 2 361.446 0.956 20 0 FCADLP O=C(NC[C@@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553529262 1268664114 /nfs/dbraw/zinc/66/41/14/1268664114.db2.gz JSOLGYRTDGBYJU-HKUYNNGSSA-N 2 2 358.490 0.879 20 0 FCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001553621012 1268671265 /nfs/dbraw/zinc/67/12/65/1268671265.db2.gz IMFOBGLFMKFGKT-RZFLPCETSA-N 2 2 351.491 0.713 20 0 FCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001553621012 1268671276 /nfs/dbraw/zinc/67/12/76/1268671276.db2.gz IMFOBGLFMKFGKT-RZFLPCETSA-N 2 2 351.491 0.713 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)[C@@H]1CCC[NH2+]1 ZINC001340894019 1268696483 /nfs/dbraw/zinc/69/64/83/1268696483.db2.gz NSDNZKBXSHPNKL-UXLLHSPISA-N 2 2 359.474 0.552 20 0 FCADLP Cn1cc[nH+]c1Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C ZINC001341249531 1268895250 /nfs/dbraw/zinc/89/52/50/1268895250.db2.gz QUFDCFRSUZFICC-UHFFFAOYSA-N 2 2 359.478 0.688 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccnc4c3nnn4C)CC2)CC1 ZINC001557073313 1268924833 /nfs/dbraw/zinc/92/48/33/1268924833.db2.gz KKUGYHQVQZQTNF-UHFFFAOYSA-N 2 2 371.489 0.996 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccnc4c3nnn4C)CC2)CC1 ZINC001557073313 1268924841 /nfs/dbraw/zinc/92/48/41/1268924841.db2.gz KKUGYHQVQZQTNF-UHFFFAOYSA-N 2 2 371.489 0.996 20 0 FCADLP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC001341628054 1269118199 /nfs/dbraw/zinc/11/81/99/1269118199.db2.gz VZZWLALWJCHIMN-KRWDZBQOSA-N 2 2 372.473 0.280 20 0 FCADLP C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342134532 1269365681 /nfs/dbraw/zinc/36/56/81/1269365681.db2.gz HXVRKFRUVGWIMU-CABCVRRESA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342134532 1269365689 /nfs/dbraw/zinc/36/56/89/1269365689.db2.gz HXVRKFRUVGWIMU-CABCVRRESA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137756 1269365928 /nfs/dbraw/zinc/36/59/28/1269365928.db2.gz ZWTRBGVPXGJCNF-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137756 1269365938 /nfs/dbraw/zinc/36/59/38/1269365938.db2.gz ZWTRBGVPXGJCNF-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3nc4ncccn4n3)CC2)CC1 ZINC001563842760 1269400234 /nfs/dbraw/zinc/40/02/34/1269400234.db2.gz KBXIVRGTWMVCOB-UHFFFAOYSA-N 2 2 372.477 0.482 20 0 FCADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC001568243069 1269725408 /nfs/dbraw/zinc/72/54/08/1269725408.db2.gz PZIMZYSUJXHMTJ-RRFJBIMHSA-N 2 2 350.463 0.550 20 0 FCADLP CNC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001569865468 1269811937 /nfs/dbraw/zinc/81/19/37/1269811937.db2.gz ZJCWKAJMBMHDHA-KLHDSHLOSA-N 2 2 361.490 0.782 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001572833004 1270217210 /nfs/dbraw/zinc/21/72/10/1270217210.db2.gz SNHNWTMJXBOULW-HZPDHXFCSA-N 2 2 371.441 0.206 20 0 FCADLP CO[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001572972633 1270431623 /nfs/dbraw/zinc/43/16/23/1270431623.db2.gz GYHTVTZTOYKNAM-HZPDHXFCSA-N 2 2 363.462 0.170 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001573010741 1270497456 /nfs/dbraw/zinc/49/74/56/1270497456.db2.gz NVLPHEKQSXCEAE-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001573010741 1270497459 /nfs/dbraw/zinc/49/74/59/1270497459.db2.gz NVLPHEKQSXCEAE-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001573387345 1270770226 /nfs/dbraw/zinc/77/02/26/1270770226.db2.gz OVIMTGLEYAOATM-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001573387345 1270770232 /nfs/dbraw/zinc/77/02/32/1270770232.db2.gz OVIMTGLEYAOATM-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574035312 1271020270 /nfs/dbraw/zinc/02/02/70/1271020270.db2.gz JSLGWRKHNUGRKP-OAHLLOKOSA-N 2 2 358.450 0.332 20 0 FCADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574039163 1271022330 /nfs/dbraw/zinc/02/23/30/1271022330.db2.gz RMTGZBIMJLYFJZ-INIZCTEOSA-N 2 2 368.445 0.994 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574252738 1271122019 /nfs/dbraw/zinc/12/20/19/1271122019.db2.gz KISCXRDLSUIHOA-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574252738 1271122022 /nfs/dbraw/zinc/12/20/22/1271122022.db2.gz KISCXRDLSUIHOA-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574259873 1271129139 /nfs/dbraw/zinc/12/91/39/1271129139.db2.gz BKDGEDAQCSOSPD-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574259873 1271129143 /nfs/dbraw/zinc/12/91/43/1271129143.db2.gz BKDGEDAQCSOSPD-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574259873 1271129147 /nfs/dbraw/zinc/12/91/47/1271129147.db2.gz BKDGEDAQCSOSPD-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574259873 1271129152 /nfs/dbraw/zinc/12/91/52/1271129152.db2.gz BKDGEDAQCSOSPD-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574262407 1271137565 /nfs/dbraw/zinc/13/75/65/1271137565.db2.gz QDYDXMOVSOLTAW-UHFFFAOYSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574262407 1271137570 /nfs/dbraw/zinc/13/75/70/1271137570.db2.gz QDYDXMOVSOLTAW-UHFFFAOYSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574542099 1271322690 /nfs/dbraw/zinc/32/26/90/1271322690.db2.gz CYOGDXKFRHBBKE-STQMWFEESA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574889372 1271651582 /nfs/dbraw/zinc/65/15/82/1271651582.db2.gz NEFRJASZTHNFKO-CHWSQXEVSA-N 2 2 369.433 0.696 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575293508 1271880568 /nfs/dbraw/zinc/88/05/68/1271880568.db2.gz JVNLZTIXHYSWAT-CYBMUJFWSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575382350 1272024526 /nfs/dbraw/zinc/02/45/26/1272024526.db2.gz AZGOQHZHYWVDRB-QWRGUYRKSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575389368 1272037550 /nfs/dbraw/zinc/03/75/50/1272037550.db2.gz USSHWGBGRVVLAX-RYUDHWBXSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575401825 1272050381 /nfs/dbraw/zinc/05/03/81/1272050381.db2.gz QWSJTBYEWDLTSS-NWDGAFQWSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566797 1272202024 /nfs/dbraw/zinc/20/20/24/1272202024.db2.gz NOKHLAPVBVLFNI-GOEBONIOSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566797 1272202029 /nfs/dbraw/zinc/20/20/29/1272202029.db2.gz NOKHLAPVBVLFNI-GOEBONIOSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566797 1272202040 /nfs/dbraw/zinc/20/20/40/1272202040.db2.gz NOKHLAPVBVLFNI-GOEBONIOSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566797 1272202047 /nfs/dbraw/zinc/20/20/47/1272202047.db2.gz NOKHLAPVBVLFNI-GOEBONIOSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH3+])Cn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001575990799 1272653686 /nfs/dbraw/zinc/65/36/86/1272653686.db2.gz JWIGMTMQVOLRKL-AWEZNQCLSA-N 2 2 362.482 0.042 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576017521 1272717361 /nfs/dbraw/zinc/71/73/61/1272717361.db2.gz AHRQUMLNJNPEKC-SWLSCSKDSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576018526 1272717397 /nfs/dbraw/zinc/71/73/97/1272717397.db2.gz HOORQWOSVOJRHA-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576019822 1272719187 /nfs/dbraw/zinc/71/91/87/1272719187.db2.gz QHCASAQXLGTLJM-VXGBXAGGSA-N 2 2 372.458 0.904 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020671 1272720594 /nfs/dbraw/zinc/72/05/94/1272720594.db2.gz GKDMYMYVDONTPA-UKRRQHHQSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063260 1272815555 /nfs/dbraw/zinc/81/55/55/1272815555.db2.gz CZQODKNJXLWSIK-KKUMJFAQSA-N 2 2 350.467 0.040 20 0 FCADLP CC[C@@H](C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[NH+](C)C ZINC001576437000 1273267418 /nfs/dbraw/zinc/26/74/18/1273267418.db2.gz DZMUOIGTWTUXFY-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP CC[C@@H](C(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576481548 1273322040 /nfs/dbraw/zinc/32/20/40/1273322040.db2.gz CQKGENUZBIJRFA-INIZCTEOSA-N 2 2 357.462 0.850 20 0 FCADLP CC[C@@H](C(=O)N(C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576483309 1273324639 /nfs/dbraw/zinc/32/46/39/1273324639.db2.gz SWBINIHXLMIAGV-INIZCTEOSA-N 2 2 357.462 0.850 20 0 FCADLP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499427 1273361424 /nfs/dbraw/zinc/36/14/24/1273361424.db2.gz KGNNNTIAPNIPOU-ZDUSSCGKSA-N 2 2 363.491 0.816 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557684 1273437825 /nfs/dbraw/zinc/43/78/25/1273437825.db2.gz SRTJVGMIJOTPLW-HZPDHXFCSA-N 2 2 362.478 0.181 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557684 1273437828 /nfs/dbraw/zinc/43/78/28/1273437828.db2.gz SRTJVGMIJOTPLW-HZPDHXFCSA-N 2 2 362.478 0.181 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001576612003 1273481103 /nfs/dbraw/zinc/48/11/03/1273481103.db2.gz PCPMAZZXGUUBBX-ZFWWWQNUSA-N 2 2 358.446 0.166 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CCCCC[C@@H]([NH2+]Cc3c[nH]nn3)C2)cn1 ZINC001576749277 1273619089 /nfs/dbraw/zinc/61/90/89/1273619089.db2.gz CNADIMASSSRQIS-MRXNPFEDSA-N 2 2 374.493 0.737 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2cn[nH]n2)CC3)C1 ZINC001576889431 1273879742 /nfs/dbraw/zinc/87/97/42/1273879742.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2cn[nH]n2)CC3)C1 ZINC001576889431 1273879749 /nfs/dbraw/zinc/87/97/49/1273879749.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCc2cn[nH]n2)CC3)C1 ZINC001576889431 1273879757 /nfs/dbraw/zinc/87/97/57/1273879757.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCc2cn[nH]n2)CC3)C1 ZINC001576889431 1273879767 /nfs/dbraw/zinc/87/97/67/1273879767.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2c[nH]nn2)CC3)C1 ZINC001576889431 1273879773 /nfs/dbraw/zinc/87/97/73/1273879773.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2c[nH]nn2)CC3)C1 ZINC001576889431 1273879782 /nfs/dbraw/zinc/87/97/82/1273879782.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCc2c[nH]nn2)CC3)C1 ZINC001576889431 1273879793 /nfs/dbraw/zinc/87/97/93/1273879793.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCc2c[nH]nn2)CC3)C1 ZINC001576889431 1273879801 /nfs/dbraw/zinc/87/98/01/1273879801.db2.gz LQDXDJIGMFZWAZ-JFIYKMOQSA-N 2 2 362.478 0.039 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902223 1273906037 /nfs/dbraw/zinc/90/60/37/1273906037.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902223 1273906041 /nfs/dbraw/zinc/90/60/41/1273906041.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCc1c[nH]nn1 ZINC001576902223 1273906047 /nfs/dbraw/zinc/90/60/47/1273906047.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CCc1c[nH]nn1 ZINC001576902223 1273906051 /nfs/dbraw/zinc/90/60/51/1273906051.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902223 1273906058 /nfs/dbraw/zinc/90/60/58/1273906058.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902223 1273906065 /nfs/dbraw/zinc/90/60/65/1273906065.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCc1cn[nH]n1 ZINC001576902223 1273906071 /nfs/dbraw/zinc/90/60/71/1273906071.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CCc1cn[nH]n1 ZINC001576902223 1273906075 /nfs/dbraw/zinc/90/60/75/1273906075.db2.gz CUDYLFRXECOSGV-RBUKOAKNSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902941 1273910467 /nfs/dbraw/zinc/91/04/67/1273910467.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902941 1273910470 /nfs/dbraw/zinc/91/04/70/1273910470.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902941 1273910477 /nfs/dbraw/zinc/91/04/77/1273910477.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902941 1273910481 /nfs/dbraw/zinc/91/04/81/1273910481.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902941 1273910486 /nfs/dbraw/zinc/91/04/86/1273910486.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902941 1273910493 /nfs/dbraw/zinc/91/04/93/1273910493.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902941 1273910494 /nfs/dbraw/zinc/91/04/94/1273910494.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902941 1273910499 /nfs/dbraw/zinc/91/04/99/1273910499.db2.gz GSPVZWCNYLPMHY-HOTGVXAUSA-N 2 2 350.467 0.039 20 0 FCADLP CC[C@@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001576967534 1273992142 /nfs/dbraw/zinc/99/21/42/1273992142.db2.gz RRDLVCFDSGDPLU-MAUKXSAKSA-N 2 2 366.510 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC[NH2+]Cc1c[nH]nn1 ZINC001577165634 1274210843 /nfs/dbraw/zinc/21/08/43/1274210843.db2.gz INFUGGBRSWFSQM-HUUCEWRRSA-N 2 2 374.493 0.451 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC[NH2+]Cc1cn[nH]n1 ZINC001577165634 1274210849 /nfs/dbraw/zinc/21/08/49/1274210849.db2.gz INFUGGBRSWFSQM-HUUCEWRRSA-N 2 2 374.493 0.451 20 0 FCADLP CCC1([NH3+])CCN(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001577227966 1274264791 /nfs/dbraw/zinc/26/47/91/1274264791.db2.gz SANMXAPAEUSSME-SFHVURJKSA-N 2 2 354.495 0.515 20 0 FCADLP CCC1([NH3+])CCN(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001577227966 1274264797 /nfs/dbraw/zinc/26/47/97/1274264797.db2.gz SANMXAPAEUSSME-SFHVURJKSA-N 2 2 354.495 0.515 20 0 FCADLP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001577476705 1274432690 /nfs/dbraw/zinc/43/26/90/1274432690.db2.gz BCKRQACOJYPUIR-ZDUSSCGKSA-N 2 2 369.433 0.667 20 0 FCADLP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001577477431 1274433762 /nfs/dbraw/zinc/43/37/62/1274433762.db2.gz RDOZGOUERRCVHY-XJKSGUPXSA-N 2 2 372.477 0.865 20 0 FCADLP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001577477431 1274433772 /nfs/dbraw/zinc/43/37/72/1274433772.db2.gz RDOZGOUERRCVHY-XJKSGUPXSA-N 2 2 372.477 0.865 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]2C1 ZINC001577495989 1274452854 /nfs/dbraw/zinc/45/28/54/1274452854.db2.gz HTVXRNPOZFYWMI-ARFHVFGLSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCc3cn[nH]n3)C[C@H]2C1 ZINC001577495989 1274452858 /nfs/dbraw/zinc/45/28/58/1274452858.db2.gz HTVXRNPOZFYWMI-ARFHVFGLSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]2C1 ZINC001577495989 1274452861 /nfs/dbraw/zinc/45/28/61/1274452861.db2.gz HTVXRNPOZFYWMI-ARFHVFGLSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]2C1 ZINC001577495989 1274452863 /nfs/dbraw/zinc/45/28/63/1274452863.db2.gz HTVXRNPOZFYWMI-ARFHVFGLSA-N 2 2 357.462 0.769 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577550502 1274489826 /nfs/dbraw/zinc/48/98/26/1274489826.db2.gz ITSBILOAWFDCFX-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577550502 1274489829 /nfs/dbraw/zinc/48/98/29/1274489829.db2.gz ITSBILOAWFDCFX-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563702 1274518748 /nfs/dbraw/zinc/51/87/48/1274518748.db2.gz XTKPIJVANXNLPE-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563702 1274518755 /nfs/dbraw/zinc/51/87/55/1274518755.db2.gz XTKPIJVANXNLPE-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563702 1274518760 /nfs/dbraw/zinc/51/87/60/1274518760.db2.gz XTKPIJVANXNLPE-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563702 1274518764 /nfs/dbraw/zinc/51/87/64/1274518764.db2.gz XTKPIJVANXNLPE-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](CCc3cn[nH]n3)CC1)C2 ZINC001577572170 1274535915 /nfs/dbraw/zinc/53/59/15/1274535915.db2.gz PXYGPABTDXAAPU-AWEZNQCLSA-N 2 2 357.462 0.695 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](CCc3c[nH]nn3)CC1)C2 ZINC001577572170 1274535921 /nfs/dbraw/zinc/53/59/21/1274535921.db2.gz PXYGPABTDXAAPU-AWEZNQCLSA-N 2 2 357.462 0.695 20 0 FCADLP CCC[N@H+](C)CCC(=O)NC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577574048 1274537500 /nfs/dbraw/zinc/53/75/00/1274537500.db2.gz LXNVZVUANPZSRF-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577574048 1274537503 /nfs/dbraw/zinc/53/75/03/1274537503.db2.gz LXNVZVUANPZSRF-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@H+](C)CCC(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577573787 1274538668 /nfs/dbraw/zinc/53/86/68/1274538668.db2.gz BHNUWYJYOZEUFU-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577573787 1274538670 /nfs/dbraw/zinc/53/86/70/1274538670.db2.gz BHNUWYJYOZEUFU-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@H+](C)CCC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577573900 1274538795 /nfs/dbraw/zinc/53/87/95/1274538795.db2.gz GSTOILJXXORWJW-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577573900 1274538800 /nfs/dbraw/zinc/53/88/00/1274538800.db2.gz GSTOILJXXORWJW-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577882390 1275082454 /nfs/dbraw/zinc/08/24/54/1275082454.db2.gz BNYSZJPZSFFXFV-OKILXGFUSA-N 2 2 370.461 0.783 20 0 FCADLP CCN(CCNC(=O)C1([NH+](C)C)CCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577933892 1275148794 /nfs/dbraw/zinc/14/87/94/1275148794.db2.gz KCGMMTUJZBSRQA-UHFFFAOYSA-N 2 2 358.450 0.689 20 0 FCADLP CCN(CCNC(=O)CCc1c[nH+]cn1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577984805 1275219260 /nfs/dbraw/zinc/21/92/60/1275219260.db2.gz AKYYYFYIOGWSKJ-UHFFFAOYSA-N 2 2 369.433 0.571 20 0 FCADLP O=C(NC[C@H]([NH2+]CCc1cn[nH]n1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577992645 1275238855 /nfs/dbraw/zinc/23/88/55/1275238855.db2.gz ZPHJKPZQHMASCZ-KRWDZBQOSA-N 2 2 373.461 0.729 20 0 FCADLP O=C(NC[C@H]([NH2+]CCc1c[nH]nn1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577992645 1275238860 /nfs/dbraw/zinc/23/88/60/1275238860.db2.gz ZPHJKPZQHMASCZ-KRWDZBQOSA-N 2 2 373.461 0.729 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001578109891 1275412507 /nfs/dbraw/zinc/41/25/07/1275412507.db2.gz MDOQMQSZPQZTIB-UHFFFAOYSA-N 2 2 355.406 0.218 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220970 1275518013 /nfs/dbraw/zinc/51/80/13/1275518013.db2.gz FVQBWPJUDFZTFV-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220970 1275518021 /nfs/dbraw/zinc/51/80/21/1275518021.db2.gz FVQBWPJUDFZTFV-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP CCc1nnc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001578305116 1275640897 /nfs/dbraw/zinc/64/08/97/1275640897.db2.gz JOODMBZWGYMKIE-ZBFHGGJFSA-N 2 2 371.489 0.904 20 0 FCADLP CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH3+] ZINC001578324355 1275670495 /nfs/dbraw/zinc/67/04/95/1275670495.db2.gz MSQKDRWLAGPUNU-OAHLLOKOSA-N 2 2 363.510 0.322 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578515689 1275952612 /nfs/dbraw/zinc/95/26/12/1275952612.db2.gz NNNDDPFNNSDMKC-IHBAFOEMSA-N 2 2 351.491 0.639 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578515689 1275952619 /nfs/dbraw/zinc/95/26/19/1275952619.db2.gz NNNDDPFNNSDMKC-IHBAFOEMSA-N 2 2 351.491 0.639 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532675 1275962902 /nfs/dbraw/zinc/96/29/02/1275962902.db2.gz RCWWSTPBQQVHQL-KGLIPLIRSA-N 2 2 355.483 0.574 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532675 1275962906 /nfs/dbraw/zinc/96/29/06/1275962906.db2.gz RCWWSTPBQQVHQL-KGLIPLIRSA-N 2 2 355.483 0.574 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532690 1275963857 /nfs/dbraw/zinc/96/38/57/1275963857.db2.gz SELDKSGBETWEKU-KGLIPLIRSA-N 2 2 355.483 0.589 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532690 1275963862 /nfs/dbraw/zinc/96/38/62/1275963862.db2.gz SELDKSGBETWEKU-KGLIPLIRSA-N 2 2 355.483 0.589 20 0 FCADLP COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC001578851365 1276375069 /nfs/dbraw/zinc/37/50/69/1276375069.db2.gz QKRAQEGMOOMDHI-UHFFFAOYSA-N 2 2 355.460 0.876 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578963330 1276506699 /nfs/dbraw/zinc/50/66/99/1276506699.db2.gz ARCHMZAVJOZNBX-ZDUSSCGKSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH+](C)C1(C(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001578966251 1276511700 /nfs/dbraw/zinc/51/17/00/1276511700.db2.gz MWJDVXIOOPDKCE-CYBMUJFWSA-N 2 2 370.461 0.831 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)CC[NH+](C)C ZINC001578973570 1276521017 /nfs/dbraw/zinc/52/10/17/1276521017.db2.gz TXKJMDGEOFHNEG-UHFFFAOYSA-N 2 2 363.441 0.848 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578981215 1276542208 /nfs/dbraw/zinc/54/22/08/1276542208.db2.gz UNGCKNPYRIZNAH-AWEZNQCLSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578981215 1276542210 /nfs/dbraw/zinc/54/22/10/1276542210.db2.gz UNGCKNPYRIZNAH-AWEZNQCLSA-N 2 2 361.425 0.648 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)Cn1cc[nH+]c1 ZINC001579136874 1276840609 /nfs/dbraw/zinc/84/06/09/1276840609.db2.gz NFVOEHBLPIUNCZ-UHFFFAOYSA-N 2 2 360.447 0.715 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)Cn1cc[nH+]c1 ZINC001579136874 1276840629 /nfs/dbraw/zinc/84/06/29/1276840629.db2.gz NFVOEHBLPIUNCZ-UHFFFAOYSA-N 2 2 360.447 0.715 20 0 FCADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169359 1276924546 /nfs/dbraw/zinc/92/45/46/1276924546.db2.gz OWGCPICPLSPHEW-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169359 1276924548 /nfs/dbraw/zinc/92/45/48/1276924548.db2.gz OWGCPICPLSPHEW-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169359 1276924551 /nfs/dbraw/zinc/92/45/51/1276924551.db2.gz OWGCPICPLSPHEW-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169359 1276924556 /nfs/dbraw/zinc/92/45/56/1276924556.db2.gz OWGCPICPLSPHEW-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180334 1276945191 /nfs/dbraw/zinc/94/51/91/1276945191.db2.gz JWCFDCLAFVWJIS-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180334 1276945199 /nfs/dbraw/zinc/94/51/99/1276945199.db2.gz JWCFDCLAFVWJIS-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579281412 1277098160 /nfs/dbraw/zinc/09/81/60/1277098160.db2.gz CBQYYZQOVDWIFH-ZDUSSCGKSA-N 2 2 367.417 0.586 20 0 FCADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579322823 1277137988 /nfs/dbraw/zinc/13/79/88/1277137988.db2.gz HWBATJPENYBZCI-CQSZACIVSA-N 2 2 355.446 0.461 20 0 FCADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579322823 1277137989 /nfs/dbraw/zinc/13/79/89/1277137989.db2.gz HWBATJPENYBZCI-CQSZACIVSA-N 2 2 355.446 0.461 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334448 1277170973 /nfs/dbraw/zinc/17/09/73/1277170973.db2.gz FECITRICGYASOK-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334448 1277170975 /nfs/dbraw/zinc/17/09/75/1277170975.db2.gz FECITRICGYASOK-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334448 1277170976 /nfs/dbraw/zinc/17/09/76/1277170976.db2.gz FECITRICGYASOK-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334448 1277170977 /nfs/dbraw/zinc/17/09/77/1277170977.db2.gz FECITRICGYASOK-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335189 1277174070 /nfs/dbraw/zinc/17/40/70/1277174070.db2.gz NYCMHFGFUXSLEN-HIFRSBDPSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335189 1277174076 /nfs/dbraw/zinc/17/40/76/1277174076.db2.gz NYCMHFGFUXSLEN-HIFRSBDPSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335189 1277174079 /nfs/dbraw/zinc/17/40/79/1277174079.db2.gz NYCMHFGFUXSLEN-HIFRSBDPSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335189 1277174082 /nfs/dbraw/zinc/17/40/82/1277174082.db2.gz NYCMHFGFUXSLEN-HIFRSBDPSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335415 1277175348 /nfs/dbraw/zinc/17/53/48/1277175348.db2.gz QMVREIAFPPJCGA-SWLSCSKDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335415 1277175357 /nfs/dbraw/zinc/17/53/57/1277175357.db2.gz QMVREIAFPPJCGA-SWLSCSKDSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335415 1277175360 /nfs/dbraw/zinc/17/53/60/1277175360.db2.gz QMVREIAFPPJCGA-SWLSCSKDSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335415 1277175363 /nfs/dbraw/zinc/17/53/63/1277175363.db2.gz QMVREIAFPPJCGA-SWLSCSKDSA-N 2 2 373.436 0.648 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001579348783 1277203218 /nfs/dbraw/zinc/20/32/18/1277203218.db2.gz HYLAWDNGPQMCTH-UHFFFAOYSA-N 2 2 360.466 0.303 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nn[nH]n2)n1C ZINC001579348783 1277203221 /nfs/dbraw/zinc/20/32/21/1277203221.db2.gz HYLAWDNGPQMCTH-UHFFFAOYSA-N 2 2 360.466 0.303 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353452 1277211054 /nfs/dbraw/zinc/21/10/54/1277211054.db2.gz MNOLLWCDWAYPKB-WFASDCNBSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353452 1277211058 /nfs/dbraw/zinc/21/10/58/1277211058.db2.gz MNOLLWCDWAYPKB-WFASDCNBSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353451 1277211492 /nfs/dbraw/zinc/21/14/92/1277211492.db2.gz MNOLLWCDWAYPKB-SWLSCSKDSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579353451 1277211494 /nfs/dbraw/zinc/21/14/94/1277211494.db2.gz MNOLLWCDWAYPKB-SWLSCSKDSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355964 1277220454 /nfs/dbraw/zinc/22/04/54/1277220454.db2.gz GRHWTMQBLHUZPE-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355964 1277220457 /nfs/dbraw/zinc/22/04/57/1277220457.db2.gz GRHWTMQBLHUZPE-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355964 1277220460 /nfs/dbraw/zinc/22/04/60/1277220460.db2.gz GRHWTMQBLHUZPE-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355964 1277220466 /nfs/dbraw/zinc/22/04/66/1277220466.db2.gz GRHWTMQBLHUZPE-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356826 1277222555 /nfs/dbraw/zinc/22/25/55/1277222555.db2.gz OCUBMWYKSJHOPX-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356826 1277222557 /nfs/dbraw/zinc/22/25/57/1277222557.db2.gz OCUBMWYKSJHOPX-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356826 1277222558 /nfs/dbraw/zinc/22/25/58/1277222558.db2.gz OCUBMWYKSJHOPX-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356826 1277222559 /nfs/dbraw/zinc/22/25/59/1277222559.db2.gz OCUBMWYKSJHOPX-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358765 1277229661 /nfs/dbraw/zinc/22/96/61/1277229661.db2.gz JLHPMKNNCZPAAY-ZBFHGGJFSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358765 1277229667 /nfs/dbraw/zinc/22/96/67/1277229667.db2.gz JLHPMKNNCZPAAY-ZBFHGGJFSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358765 1277229671 /nfs/dbraw/zinc/22/96/71/1277229671.db2.gz JLHPMKNNCZPAAY-ZBFHGGJFSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358765 1277229677 /nfs/dbraw/zinc/22/96/77/1277229677.db2.gz JLHPMKNNCZPAAY-ZBFHGGJFSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360216 1277236728 /nfs/dbraw/zinc/23/67/28/1277236728.db2.gz HBYWDLBVFFJIRP-XABYNWHXSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360216 1277236731 /nfs/dbraw/zinc/23/67/31/1277236731.db2.gz HBYWDLBVFFJIRP-XABYNWHXSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366148 1277246063 /nfs/dbraw/zinc/24/60/63/1277246063.db2.gz OQCBIXLFMNDTTG-JKSUJKDBSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366148 1277246066 /nfs/dbraw/zinc/24/60/66/1277246066.db2.gz OQCBIXLFMNDTTG-JKSUJKDBSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579372291 1277255758 /nfs/dbraw/zinc/25/57/58/1277255758.db2.gz QNWHLGWZSJNIMX-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579372291 1277255768 /nfs/dbraw/zinc/25/57/68/1277255768.db2.gz QNWHLGWZSJNIMX-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP CSCC[C@H]([NH3+])CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001579380266 1277259900 /nfs/dbraw/zinc/25/99/00/1277259900.db2.gz LEJVTMPNDSUBFQ-AWEZNQCLSA-N 2 2 352.508 0.185 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001579940826 1277971890 /nfs/dbraw/zinc/97/18/90/1277971890.db2.gz JYTYIUUVTXXBGC-UHFFFAOYSA-N 2 2 373.461 0.519 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001579940826 1277971898 /nfs/dbraw/zinc/97/18/98/1277971898.db2.gz JYTYIUUVTXXBGC-UHFFFAOYSA-N 2 2 373.461 0.519 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1c[nH+]cn1C ZINC001580271964 1278065266 /nfs/dbraw/zinc/06/52/66/1278065266.db2.gz UYYRVCJCLPGOOC-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP Cc1cc(N2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962281 1279166997 /nfs/dbraw/zinc/16/69/97/1279166997.db2.gz QRIUITXFNKNQOQ-ZDUSSCGKSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1cc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580973003 1279173192 /nfs/dbraw/zinc/17/31/92/1279173192.db2.gz VHKAXANYQGLWEN-OCCSQVGLSA-N 2 2 367.417 0.550 20 0 FCADLP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989119 1279189714 /nfs/dbraw/zinc/18/97/14/1279189714.db2.gz MPRSXVVQQNASHZ-WDEREUQCSA-N 2 2 355.406 0.263 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007878 1279227422 /nfs/dbraw/zinc/22/74/22/1279227422.db2.gz CTQVBDYMHPUOFV-XHDPSFHLSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1cc(NC[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013491 1279240227 /nfs/dbraw/zinc/24/02/27/1279240227.db2.gz QJHTYLQVOKQITN-LLVKDONJSA-N 2 2 355.406 0.053 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3csnn3)CC2)CC[N@@H+]1C ZINC001714885663 1287337809 /nfs/dbraw/zinc/33/78/09/1287337809.db2.gz CPKQPRIMEILQOL-GDBMZVCRSA-N 2 2 366.535 0.454 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3csnn3)CC2)CC[N@H+]1C ZINC001714885663 1287337811 /nfs/dbraw/zinc/33/78/11/1287337811.db2.gz CPKQPRIMEILQOL-GDBMZVCRSA-N 2 2 366.535 0.454 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581338517 1279717254 /nfs/dbraw/zinc/71/72/54/1279717254.db2.gz NTTRNUNXYKKOTE-UHFFFAOYSA-N 2 2 372.458 0.681 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581563057 1280138825 /nfs/dbraw/zinc/13/88/25/1280138825.db2.gz HYYMFJJJRBERAH-OAHLLOKOSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563003 1280140257 /nfs/dbraw/zinc/14/02/57/1280140257.db2.gz FHOUCCNJRIUIST-WDEREUQCSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581563870 1280141577 /nfs/dbraw/zinc/14/15/77/1280141577.db2.gz TXRRNFKBAYIXKK-UHFFFAOYSA-N 2 2 366.429 0.620 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563821 1280141753 /nfs/dbraw/zinc/14/17/53/1280141753.db2.gz RVPXTODKZVHRTB-UHFFFAOYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581564667 1280142780 /nfs/dbraw/zinc/14/27/80/1280142780.db2.gz UXZMKXQXZISRMV-ZDUSSCGKSA-N 2 2 367.417 0.149 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581564654 1280143947 /nfs/dbraw/zinc/14/39/47/1280143947.db2.gz UNVHKMAJJYNDRL-LLVKDONJSA-N 2 2 355.406 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581565315 1280145771 /nfs/dbraw/zinc/14/57/71/1280145771.db2.gz JKMPJLJTZGQFCG-UHFFFAOYSA-N 2 2 358.381 0.417 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581814899 1280559929 /nfs/dbraw/zinc/55/99/29/1280559929.db2.gz KKJYLDKIHIAYOT-OKILXGFUSA-N 2 2 366.429 0.580 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581815119 1280559963 /nfs/dbraw/zinc/55/99/63/1280559963.db2.gz SPNAQZPWUCMVOB-SHTZXODSSA-N 2 2 366.429 0.580 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001581815461 1280561018 /nfs/dbraw/zinc/56/10/18/1280561018.db2.gz HOPLRYYSYCTQBS-UHFFFAOYSA-N 2 2 366.429 0.581 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582051235 1280975768 /nfs/dbraw/zinc/97/57/68/1280975768.db2.gz SYZXZTYRESQTDC-UHFFFAOYSA-N 2 2 355.406 0.279 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582090662 1281047165 /nfs/dbraw/zinc/04/71/65/1281047165.db2.gz ZVRCYIABEMSLBO-SHTZXODSSA-N 2 2 366.429 0.890 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582090661 1281048336 /nfs/dbraw/zinc/04/83/36/1281048336.db2.gz ZVRCYIABEMSLBO-GASCZTMLSA-N 2 2 366.429 0.890 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099192 1281055094 /nfs/dbraw/zinc/05/50/94/1281055094.db2.gz LIECIQWWJWTRIU-CYBMUJFWSA-N 2 2 356.434 0.443 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582098965 1281055126 /nfs/dbraw/zinc/05/51/26/1281055126.db2.gz FQUZNIFOHZCSFH-CYBMUJFWSA-N 2 2 356.434 0.443 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582100759 1281057216 /nfs/dbraw/zinc/05/72/16/1281057216.db2.gz NAOUYRFFZUCCSR-UHFFFAOYSA-N 2 2 373.436 0.650 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099694 1281057276 /nfs/dbraw/zinc/05/72/76/1281057276.db2.gz YPPPJHOBKBBFJJ-AWEZNQCLSA-N 2 2 370.461 0.833 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001582169162 1281134918 /nfs/dbraw/zinc/13/49/18/1281134918.db2.gz GWFHIVRHHKBMLV-UHFFFAOYSA-N 2 2 372.458 0.975 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582194903 1281174596 /nfs/dbraw/zinc/17/45/96/1281174596.db2.gz BBADARFSVXWISK-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582195305 1281175531 /nfs/dbraw/zinc/17/55/31/1281175531.db2.gz UGONBFBJAOBOOV-UHFFFAOYSA-N 2 2 367.417 0.231 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582195167 1281175664 /nfs/dbraw/zinc/17/56/64/1281175664.db2.gz NNBHTKLIUNYKPF-CQSZACIVSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582195433 1281177005 /nfs/dbraw/zinc/17/70/05/1281177005.db2.gz ZGDIYRNUGDHNRY-OAHLLOKOSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197240 1281180227 /nfs/dbraw/zinc/18/02/27/1281180227.db2.gz IYSDPUGVACSLSA-CQSZACIVSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197240 1281180231 /nfs/dbraw/zinc/18/02/31/1281180231.db2.gz IYSDPUGVACSLSA-CQSZACIVSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197092 1281181148 /nfs/dbraw/zinc/18/11/48/1281181148.db2.gz DMSQJRGOAHHZOL-OTVXOJSOSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582197694 1281181753 /nfs/dbraw/zinc/18/17/53/1281181753.db2.gz WFEHCUQDSHCMOF-CYBMUJFWSA-N 2 2 367.417 0.491 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582198254 1281184907 /nfs/dbraw/zinc/18/49/07/1281184907.db2.gz SHPVUCOUYDLKQI-ZLDLUXBVSA-N 2 2 365.401 0.384 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582197986 1281184913 /nfs/dbraw/zinc/18/49/13/1281184913.db2.gz HUKZEXGVOIPWBC-OKILXGFUSA-N 2 2 370.392 0.639 20 0 FCADLP O=C(N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)C12CC[NH+](CC1)C2 ZINC001582216450 1281196456 /nfs/dbraw/zinc/19/64/56/1281196456.db2.gz LMBTYBBHHUYNHN-UHFFFAOYSA-N 2 2 367.457 0.607 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccc(C(N)=O)cc3)c2)CC1 ZINC001635413485 1282403571 /nfs/dbraw/zinc/40/35/71/1282403571.db2.gz GRACXBAOVVZSCD-UHFFFAOYSA-N 2 2 369.425 0.950 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590174121 1283276960 /nfs/dbraw/zinc/27/69/60/1283276960.db2.gz PLUSFLQNVRFANU-WFASDCNBSA-N 2 2 366.429 0.912 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001719067649 1287649601 /nfs/dbraw/zinc/64/96/01/1287649601.db2.gz JQXVXACZJZTNTK-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001719067649 1287649611 /nfs/dbraw/zinc/64/96/11/1287649611.db2.gz JQXVXACZJZTNTK-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001682725280 1283761417 /nfs/dbraw/zinc/76/14/17/1283761417.db2.gz JACBWVKPKLIHFM-BPQIPLTHSA-N 2 2 368.522 0.848 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001682725280 1283761428 /nfs/dbraw/zinc/76/14/28/1283761428.db2.gz JACBWVKPKLIHFM-BPQIPLTHSA-N 2 2 368.522 0.848 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590864316 1283935924 /nfs/dbraw/zinc/93/59/24/1283935924.db2.gz DRUPTZQLIAEZAD-UONOGXRCSA-N 2 2 367.417 0.632 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1)[NH+](CC)CC ZINC001683305272 1283937590 /nfs/dbraw/zinc/93/75/90/1283937590.db2.gz RKYBKZCYXVRJMC-RBSFLKMASA-N 2 2 365.478 0.415 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591012621 1284071846 /nfs/dbraw/zinc/07/18/46/1284071846.db2.gz ZNODBOUTJFGVJF-UHFFFAOYSA-N 2 2 373.461 0.341 20 0 FCADLP C[N@H+](CC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001591038834 1284099554 /nfs/dbraw/zinc/09/95/54/1284099554.db2.gz XYPFHYIDYIJRRP-NSCUHMNNSA-N 2 2 356.434 0.252 20 0 FCADLP C[N@@H+](CC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001591038834 1284099566 /nfs/dbraw/zinc/09/95/66/1284099566.db2.gz XYPFHYIDYIJRRP-NSCUHMNNSA-N 2 2 356.434 0.252 20 0 FCADLP CN(CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001591102250 1284171910 /nfs/dbraw/zinc/17/19/10/1284171910.db2.gz JVUMPCSTTDYKSU-UHFFFAOYSA-N 2 2 358.381 0.520 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc3c(-c4nn[nH]n4)cnn3c1)CCO2 ZINC001591182147 1284284671 /nfs/dbraw/zinc/28/46/71/1284284671.db2.gz XYEZVSKQKZUCIO-UHFFFAOYSA-N 2 2 369.433 0.206 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc3c(-c4nn[nH]n4)cnn3c1)CCO2 ZINC001591182147 1284284680 /nfs/dbraw/zinc/28/46/80/1284284680.db2.gz XYEZVSKQKZUCIO-UHFFFAOYSA-N 2 2 369.433 0.206 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649221 1287709292 /nfs/dbraw/zinc/70/92/92/1287709292.db2.gz HTBVVXPEGGSHJR-IUODEOHRSA-N 2 2 356.434 0.393 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649221 1287709300 /nfs/dbraw/zinc/70/93/00/1287709300.db2.gz HTBVVXPEGGSHJR-IUODEOHRSA-N 2 2 356.434 0.393 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC001604686528 1287733682 /nfs/dbraw/zinc/73/36/82/1287733682.db2.gz QCGFCXDYERRWLA-HNNXBMFYSA-N 2 2 370.417 0.214 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001591561343 1284733711 /nfs/dbraw/zinc/73/37/11/1284733711.db2.gz DPXCCGZEBXVDED-UHFFFAOYSA-N 2 2 370.417 0.437 20 0 FCADLP Cc1cc(-c2nn[nH]n2)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001591887537 1284978798 /nfs/dbraw/zinc/97/87/98/1284978798.db2.gz LPJLDIGNNSCJFH-YIONKMFJSA-N 2 2 369.477 0.712 20 0 FCADLP Cc1cc(-c2nn[nH]n2)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001591887537 1284978808 /nfs/dbraw/zinc/97/88/08/1284978808.db2.gz LPJLDIGNNSCJFH-YIONKMFJSA-N 2 2 369.477 0.712 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)n1cc[nH+]c1 ZINC001719107619 1287753805 /nfs/dbraw/zinc/75/38/05/1287753805.db2.gz WAXXMGPUXUIAPG-NUEKZKHPSA-N 2 2 363.462 0.006 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)n1cc[nH+]c1 ZINC001719107619 1287753811 /nfs/dbraw/zinc/75/38/11/1287753811.db2.gz WAXXMGPUXUIAPG-NUEKZKHPSA-N 2 2 363.462 0.006 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001592004522 1285053687 /nfs/dbraw/zinc/05/36/87/1285053687.db2.gz NGZHAWXXQVJMNG-ZDUSSCGKSA-N 2 2 367.417 0.470 20 0 FCADLP Cc1cc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007750 1285057800 /nfs/dbraw/zinc/05/78/00/1285057800.db2.gz IVXNGASESMVXHK-UHFFFAOYSA-N 2 2 353.390 0.185 20 0 FCADLP Cc1cc(NC/C=C/CNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046277 1285088441 /nfs/dbraw/zinc/08/84/41/1285088441.db2.gz JXMFCUQZMNFNPK-ONEGZZNKSA-N 2 2 367.417 0.053 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001592047738 1285089704 /nfs/dbraw/zinc/08/97/04/1285089704.db2.gz PVXINTSUYNOCIC-UHFFFAOYSA-N 2 2 369.433 0.458 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592590570 1285520987 /nfs/dbraw/zinc/52/09/87/1285520987.db2.gz RGASKXOVCCHCTL-UHFFFAOYSA-N 2 2 354.418 0.439 20 0 FCADLP NC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001592735179 1285647379 /nfs/dbraw/zinc/64/73/79/1285647379.db2.gz IVXSGJNDVHTUSW-FZNQNYSPSA-N 2 2 355.446 0.685 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1)CC(C)(C)C ZINC001702423543 1285667870 /nfs/dbraw/zinc/66/78/70/1285667870.db2.gz MNODTTDYVGSTQN-HUUCEWRRSA-N 2 2 361.490 0.989 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1)CC(C)(C)C ZINC001702423543 1285667874 /nfs/dbraw/zinc/66/78/74/1285667874.db2.gz MNODTTDYVGSTQN-HUUCEWRRSA-N 2 2 361.490 0.989 20 0 FCADLP CO[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243619 1287935779 /nfs/dbraw/zinc/93/57/79/1287935779.db2.gz FDFBKFRRULIWTB-BZUAXINKSA-N 2 2 365.478 0.518 20 0 FCADLP [NH3+]C1(CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC001606435953 1288315440 /nfs/dbraw/zinc/31/54/40/1288315440.db2.gz FVISFPXFZAUVNY-UHFFFAOYSA-N 2 2 370.461 0.575 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001723721241 1288427866 /nfs/dbraw/zinc/42/78/66/1288427866.db2.gz KMLQKONHMXVKAJ-CLCXKQKWSA-N 2 2 359.474 0.584 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001723721241 1288427871 /nfs/dbraw/zinc/42/78/71/1288427871.db2.gz KMLQKONHMXVKAJ-CLCXKQKWSA-N 2 2 359.474 0.584 20 0 FCADLP O[C@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001607097728 1288661853 /nfs/dbraw/zinc/66/18/53/1288661853.db2.gz QDLPIWGMJGERAL-ZDUSSCGKSA-N 2 2 370.417 0.152 20 0 FCADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001607103898 1288663312 /nfs/dbraw/zinc/66/33/12/1288663312.db2.gz DRVBCQPXHIGGDZ-QGZVFWFLSA-N 2 2 372.473 0.727 20 0 FCADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)NC ZINC001609193474 1288979715 /nfs/dbraw/zinc/97/97/15/1288979715.db2.gz IDEJEBOQHSEUHJ-MRXNPFEDSA-N 2 2 357.462 0.945 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001736233913 1289213206 /nfs/dbraw/zinc/21/32/06/1289213206.db2.gz BUGSXXKTLUZJPL-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001736233913 1289213215 /nfs/dbraw/zinc/21/32/15/1289213215.db2.gz BUGSXXKTLUZJPL-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001736233913 1289213220 /nfs/dbraw/zinc/21/32/20/1289213220.db2.gz BUGSXXKTLUZJPL-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001736233913 1289213227 /nfs/dbraw/zinc/21/32/27/1289213227.db2.gz BUGSXXKTLUZJPL-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(-c2nn[nH]n2)c1 ZINC001609591827 1289248814 /nfs/dbraw/zinc/24/88/14/1289248814.db2.gz BLTWVRXNLLWKDG-ZDUSSCGKSA-N 2 2 373.442 0.442 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1)c1nnnn1C ZINC001691957337 1289351077 /nfs/dbraw/zinc/35/10/77/1289351077.db2.gz DBUWQBKTTQPUFP-QLFBSQMISA-N 2 2 360.466 0.823 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001692082823 1289388073 /nfs/dbraw/zinc/38/80/73/1289388073.db2.gz ISIDRYGBWSNONT-CABCVRRESA-N 2 2 368.503 0.476 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001692082823 1289388080 /nfs/dbraw/zinc/38/80/80/1289388080.db2.gz ISIDRYGBWSNONT-CABCVRRESA-N 2 2 368.503 0.476 20 0 FCADLP COCC[N@H+](C[C@@H](C)O)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001699689689 1289562794 /nfs/dbraw/zinc/56/27/94/1289562794.db2.gz GIUXSJHQPFRIQX-DJIMGWMZSA-N 2 2 364.490 0.844 20 0 FCADLP COCC[N@@H+](C[C@@H](C)O)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001699689689 1289562800 /nfs/dbraw/zinc/56/28/00/1289562800.db2.gz GIUXSJHQPFRIQX-DJIMGWMZSA-N 2 2 364.490 0.844 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001699902153 1289576382 /nfs/dbraw/zinc/57/63/82/1289576382.db2.gz UUIRSQNNGPOQME-GPMSIDNRSA-N 2 2 355.442 0.672 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001699902153 1289576388 /nfs/dbraw/zinc/57/63/88/1289576388.db2.gz UUIRSQNNGPOQME-GPMSIDNRSA-N 2 2 355.442 0.672 20 0 FCADLP Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001612543895 1289683734 /nfs/dbraw/zinc/68/37/34/1289683734.db2.gz WMSNZPIIYRCHFH-QGZVFWFLSA-N 2 2 368.551 0.792 20 0 FCADLP C[C@H]1CN(C(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC001617187317 1289821438 /nfs/dbraw/zinc/82/14/38/1289821438.db2.gz VTXODWUVURQBDW-PXNSSMCTSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@H]1CN(C(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC001617187317 1289821453 /nfs/dbraw/zinc/82/14/53/1289821453.db2.gz VTXODWUVURQBDW-PXNSSMCTSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@H]1CN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187317 1289821465 /nfs/dbraw/zinc/82/14/65/1289821465.db2.gz VTXODWUVURQBDW-PXNSSMCTSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@H]1CN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187317 1289821477 /nfs/dbraw/zinc/82/14/77/1289821477.db2.gz VTXODWUVURQBDW-PXNSSMCTSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001739247370 1289828577 /nfs/dbraw/zinc/82/85/77/1289828577.db2.gz QQRMOYWMSWNCOR-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001739247370 1289828592 /nfs/dbraw/zinc/82/85/92/1289828592.db2.gz QQRMOYWMSWNCOR-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001752745720 1290614786 /nfs/dbraw/zinc/61/47/86/1290614786.db2.gz LKVCZAHBMTUYRU-XRGPLSDCSA-N 2 2 357.882 0.856 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1nncs1 ZINC001752902294 1290616904 /nfs/dbraw/zinc/61/69/04/1290616904.db2.gz ZDXSCRVAQMENMM-GMTAPVOTSA-N 2 2 363.447 0.108 20 0 FCADLP CN(CC[N@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001753863559 1290625134 /nfs/dbraw/zinc/62/51/34/1290625134.db2.gz CWZVPDOOENBRQP-RBSFLKMASA-N 2 2 357.462 0.693 20 0 FCADLP CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001753863559 1290625141 /nfs/dbraw/zinc/62/51/41/1290625141.db2.gz CWZVPDOOENBRQP-RBSFLKMASA-N 2 2 357.462 0.693 20 0 FCADLP C[C@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001754242243 1290626265 /nfs/dbraw/zinc/62/62/65/1290626265.db2.gz KUJCPZVVTXZYEP-GMTAPVOTSA-N 2 2 363.447 0.108 20 0 FCADLP Cc1cccnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001754891568 1290637035 /nfs/dbraw/zinc/63/70/35/1290637035.db2.gz TZZCLSDJIJYTNG-HZPDHXFCSA-N 2 2 357.458 0.838 20 0 FCADLP COC[C@]1(CO)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001653628065 1291358236 /nfs/dbraw/zinc/35/82/36/1291358236.db2.gz AKWRNFNMCGTJRU-LJQANCHMSA-N 2 2 362.474 0.451 20 0 FCADLP COC[C@]1(CO)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001653628065 1291358245 /nfs/dbraw/zinc/35/82/45/1291358245.db2.gz AKWRNFNMCGTJRU-LJQANCHMSA-N 2 2 362.474 0.451 20 0 FCADLP COC[C@H](O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001664876406 1291821078 /nfs/dbraw/zinc/82/10/78/1291821078.db2.gz VFYIJIZEXQLEDY-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP COC[C@H](O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001664876406 1291821088 /nfs/dbraw/zinc/82/10/88/1291821088.db2.gz VFYIJIZEXQLEDY-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP COC[C@H](O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001664876406 1291821098 /nfs/dbraw/zinc/82/10/98/1291821098.db2.gz VFYIJIZEXQLEDY-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP COC[C@H](O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001664876406 1291821105 /nfs/dbraw/zinc/82/11/05/1291821105.db2.gz VFYIJIZEXQLEDY-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC001672406725 1292080471 /nfs/dbraw/zinc/08/04/71/1292080471.db2.gz XMXKXKKHGRMULU-CABCVRRESA-N 2 2 350.467 0.772 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)[C@@H]3CCCOC3)C2)CC1 ZINC001679304925 1292300467 /nfs/dbraw/zinc/30/04/67/1292300467.db2.gz XGCMYUYXFMFRED-VYDXJSESSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)[C@@H]3CCCOC3)C2)CC1 ZINC001679304925 1292300476 /nfs/dbraw/zinc/30/04/76/1292300476.db2.gz XGCMYUYXFMFRED-VYDXJSESSA-N 2 2 354.495 0.242 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001688904277 1294548895 /nfs/dbraw/zinc/54/88/95/1294548895.db2.gz NOBGPWHYTKPFAC-QKPAOTATSA-N 2 2 359.474 0.866 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001688904277 1294548902 /nfs/dbraw/zinc/54/89/02/1294548902.db2.gz NOBGPWHYTKPFAC-QKPAOTATSA-N 2 2 359.474 0.866 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001689178786 1294647601 /nfs/dbraw/zinc/64/76/01/1294647601.db2.gz SSGHDFVEZOLVEC-HYVNUMGLSA-N 2 2 361.490 0.941 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001689178786 1294647606 /nfs/dbraw/zinc/64/76/06/1294647606.db2.gz SSGHDFVEZOLVEC-HYVNUMGLSA-N 2 2 361.490 0.941 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)CC[C@@H]2C1 ZINC001689239620 1294700014 /nfs/dbraw/zinc/70/00/14/1294700014.db2.gz UXULHRQUTZZHOT-RDBSUJKOSA-N 2 2 360.380 0.977 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)CC[C@@H]2C1 ZINC001689239620 1294700027 /nfs/dbraw/zinc/70/00/27/1294700027.db2.gz UXULHRQUTZZHOT-RDBSUJKOSA-N 2 2 360.380 0.977 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001689294056 1294717482 /nfs/dbraw/zinc/71/74/82/1294717482.db2.gz QVSRSTXBQBHPRO-CABCVRRESA-N 2 2 364.494 0.162 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001689294056 1294717487 /nfs/dbraw/zinc/71/74/87/1294717487.db2.gz QVSRSTXBQBHPRO-CABCVRRESA-N 2 2 364.494 0.162 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001689323311 1294745685 /nfs/dbraw/zinc/74/56/85/1294745685.db2.gz DJAMUEKBODFQCE-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001689323311 1294745688 /nfs/dbraw/zinc/74/56/88/1294745688.db2.gz DJAMUEKBODFQCE-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001690092020 1294858959 /nfs/dbraw/zinc/85/89/59/1294858959.db2.gz RFYCVEIQBMTZAJ-IXDOHACOSA-N 2 2 350.507 0.824 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001690092020 1294858966 /nfs/dbraw/zinc/85/89/66/1294858966.db2.gz RFYCVEIQBMTZAJ-IXDOHACOSA-N 2 2 350.507 0.824 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001690092020 1294858976 /nfs/dbraw/zinc/85/89/76/1294858976.db2.gz RFYCVEIQBMTZAJ-IXDOHACOSA-N 2 2 350.507 0.824 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001690092020 1294858984 /nfs/dbraw/zinc/85/89/84/1294858984.db2.gz RFYCVEIQBMTZAJ-IXDOHACOSA-N 2 2 350.507 0.824 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001690820228 1294884681 /nfs/dbraw/zinc/88/46/81/1294884681.db2.gz DATIJILSTRSQBC-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001690820228 1294884690 /nfs/dbraw/zinc/88/46/90/1294884690.db2.gz DATIJILSTRSQBC-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001164703345 719843014 /nfs/dbraw/zinc/84/30/14/719843014.db2.gz QSIZEZBHIOFQAC-OXQOHEQNSA-N 2 2 374.485 0.960 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164717296 720222480 /nfs/dbraw/zinc/22/24/80/720222480.db2.gz IEYHHUIGQSJSEG-IBGZPJMESA-N 2 2 372.473 0.633 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164717296 720222487 /nfs/dbraw/zinc/22/24/87/720222487.db2.gz IEYHHUIGQSJSEG-IBGZPJMESA-N 2 2 372.473 0.633 20 0 FCADLP C([C@H]1CCCO1)[NH+]1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001165039240 721915900 /nfs/dbraw/zinc/91/59/00/721915900.db2.gz RVLLTKDGRBQOOV-OAHLLOKOSA-N 2 2 374.489 0.217 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102789 837617376 /nfs/dbraw/zinc/61/73/76/837617376.db2.gz WLDAYCIUYMIJLW-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102789 837617379 /nfs/dbraw/zinc/61/73/79/837617379.db2.gz WLDAYCIUYMIJLW-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102789 837617380 /nfs/dbraw/zinc/61/73/80/837617380.db2.gz WLDAYCIUYMIJLW-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102789 837617382 /nfs/dbraw/zinc/61/73/82/837617382.db2.gz WLDAYCIUYMIJLW-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)O1 ZINC001070572951 837659482 /nfs/dbraw/zinc/65/94/82/837659482.db2.gz SOKKVEKZDMVWPW-MELADBBJSA-N 2 2 350.467 0.733 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@H+]3C)n2)O1 ZINC001070572951 837659483 /nfs/dbraw/zinc/65/94/83/837659483.db2.gz SOKKVEKZDMVWPW-MELADBBJSA-N 2 2 350.467 0.733 20 0 FCADLP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C(F)(F)F)C1=O ZINC001099312928 844018475 /nfs/dbraw/zinc/01/84/75/844018475.db2.gz KBTCQEYWEOPYLT-GRYCIOLGSA-N 2 2 359.352 0.162 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099349132 844037959 /nfs/dbraw/zinc/03/79/59/844037959.db2.gz RTEXDSZFTQSSHO-CHWSQXEVSA-N 2 2 356.352 0.759 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100418656 844053352 /nfs/dbraw/zinc/05/33/52/844053352.db2.gz DUIZXHBBGAAAFC-NEXFUWMNSA-N 2 2 368.503 0.822 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100418656 844053359 /nfs/dbraw/zinc/05/33/59/844053359.db2.gz DUIZXHBBGAAAFC-NEXFUWMNSA-N 2 2 368.503 0.822 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000176603388 836022652 /nfs/dbraw/zinc/02/26/52/836022652.db2.gz ZVNKZIMZTAPAJD-MRXNPFEDSA-N 2 2 374.551 0.621 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001101375440 844164685 /nfs/dbraw/zinc/16/46/85/844164685.db2.gz SXRMUHHVJAHMLZ-CJNGLKHVSA-N 2 2 354.476 0.167 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001101375440 844164687 /nfs/dbraw/zinc/16/46/87/844164687.db2.gz SXRMUHHVJAHMLZ-CJNGLKHVSA-N 2 2 354.476 0.167 20 0 FCADLP C[C@H](c1csnn1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432139 844184535 /nfs/dbraw/zinc/18/45/35/844184535.db2.gz CYCCQEWPBHGXNK-CPUCHLNUSA-N 2 2 367.519 0.958 20 0 FCADLP C[C@H](c1csnn1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432139 844184539 /nfs/dbraw/zinc/18/45/39/844184539.db2.gz CYCCQEWPBHGXNK-CPUCHLNUSA-N 2 2 367.519 0.958 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429901 844184683 /nfs/dbraw/zinc/18/46/83/844184683.db2.gz FCJPTPXZURHTIC-LBTNJELSSA-N 2 2 350.463 0.475 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429901 844184686 /nfs/dbraw/zinc/18/46/86/844184686.db2.gz FCJPTPXZURHTIC-LBTNJELSSA-N 2 2 350.463 0.475 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444679 844188482 /nfs/dbraw/zinc/18/84/82/844188482.db2.gz HXVWXYQKNMBCQM-QAPCUYQASA-N 2 2 350.463 0.704 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444679 844188484 /nfs/dbraw/zinc/18/84/84/844188484.db2.gz HXVWXYQKNMBCQM-QAPCUYQASA-N 2 2 350.463 0.704 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643738 837876737 /nfs/dbraw/zinc/87/67/37/837876737.db2.gz JPHXBCIJQIDSFY-UAGQMJEPSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643738 837876746 /nfs/dbraw/zinc/87/67/46/837876746.db2.gz JPHXBCIJQIDSFY-UAGQMJEPSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643738 837876754 /nfs/dbraw/zinc/87/67/54/837876754.db2.gz JPHXBCIJQIDSFY-UAGQMJEPSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643738 837876757 /nfs/dbraw/zinc/87/67/57/837876757.db2.gz JPHXBCIJQIDSFY-UAGQMJEPSA-N 2 2 364.515 0.857 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906673 837925854 /nfs/dbraw/zinc/92/58/54/837925854.db2.gz VFJZTVKMTSFBRT-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906673 837925865 /nfs/dbraw/zinc/92/58/65/837925865.db2.gz VFJZTVKMTSFBRT-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906673 837925870 /nfs/dbraw/zinc/92/58/70/837925870.db2.gz VFJZTVKMTSFBRT-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906673 837925876 /nfs/dbraw/zinc/92/58/76/837925876.db2.gz VFJZTVKMTSFBRT-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076501781 838007589 /nfs/dbraw/zinc/00/75/89/838007589.db2.gz CQTJLTVRZWMSIA-OFQRWUPVSA-N 2 2 366.487 0.228 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076501781 838007598 /nfs/dbraw/zinc/00/75/98/838007598.db2.gz CQTJLTVRZWMSIA-OFQRWUPVSA-N 2 2 366.487 0.228 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812785 838116010 /nfs/dbraw/zinc/11/60/10/838116010.db2.gz TXDDOJVXIIDVCA-RBSFLKMASA-N 2 2 361.471 0.447 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812785 838116017 /nfs/dbraw/zinc/11/60/17/838116017.db2.gz TXDDOJVXIIDVCA-RBSFLKMASA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812785 838116023 /nfs/dbraw/zinc/11/60/23/838116023.db2.gz TXDDOJVXIIDVCA-RBSFLKMASA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812785 838116031 /nfs/dbraw/zinc/11/60/31/838116031.db2.gz TXDDOJVXIIDVCA-RBSFLKMASA-N 2 2 361.471 0.447 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)s1 ZINC001076838939 838128922 /nfs/dbraw/zinc/12/89/22/838128922.db2.gz TXKCPJJNYDQUSU-OAGGEKHMSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)s1 ZINC001076838939 838128927 /nfs/dbraw/zinc/12/89/27/838128927.db2.gz TXKCPJJNYDQUSU-OAGGEKHMSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c(C)s1 ZINC001076838939 838128931 /nfs/dbraw/zinc/12/89/31/838128931.db2.gz TXKCPJJNYDQUSU-OAGGEKHMSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c(C)s1 ZINC001076838939 838128935 /nfs/dbraw/zinc/12/89/35/838128935.db2.gz TXKCPJJNYDQUSU-OAGGEKHMSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076986438 838194075 /nfs/dbraw/zinc/19/40/75/838194075.db2.gz YGLWNXJJNDRWKR-IXDOHACOSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076986438 838194083 /nfs/dbraw/zinc/19/40/83/838194083.db2.gz YGLWNXJJNDRWKR-IXDOHACOSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076986438 838194090 /nfs/dbraw/zinc/19/40/90/838194090.db2.gz YGLWNXJJNDRWKR-IXDOHACOSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076986438 838194100 /nfs/dbraw/zinc/19/41/00/838194100.db2.gz YGLWNXJJNDRWKR-IXDOHACOSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127807 838751081 /nfs/dbraw/zinc/75/10/81/838751081.db2.gz JGBAJFROEDCEJD-ARFHVFGLSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127807 838751087 /nfs/dbraw/zinc/75/10/87/838751087.db2.gz JGBAJFROEDCEJD-ARFHVFGLSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127807 838751096 /nfs/dbraw/zinc/75/10/96/838751096.db2.gz JGBAJFROEDCEJD-ARFHVFGLSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127807 838751104 /nfs/dbraw/zinc/75/11/04/838751104.db2.gz JGBAJFROEDCEJD-ARFHVFGLSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)c[nH+]1 ZINC001077218420 838822066 /nfs/dbraw/zinc/82/20/66/838822066.db2.gz ZVLQQSSUIJQZNG-BZUAXINKSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)c[nH+]1 ZINC001077218420 838822082 /nfs/dbraw/zinc/82/20/82/838822082.db2.gz ZVLQQSSUIJQZNG-BZUAXINKSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001077220549 838825234 /nfs/dbraw/zinc/82/52/34/838825234.db2.gz ODWPHBNXDKPKSJ-RAEVTNRLSA-N 2 2 353.488 0.437 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001077220549 838825251 /nfs/dbraw/zinc/82/52/51/838825251.db2.gz ODWPHBNXDKPKSJ-RAEVTNRLSA-N 2 2 353.488 0.437 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001077220549 838825268 /nfs/dbraw/zinc/82/52/68/838825268.db2.gz ODWPHBNXDKPKSJ-RAEVTNRLSA-N 2 2 353.488 0.437 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001077220549 838825282 /nfs/dbraw/zinc/82/52/82/838825282.db2.gz ODWPHBNXDKPKSJ-RAEVTNRLSA-N 2 2 353.488 0.437 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259267 838855339 /nfs/dbraw/zinc/85/53/39/838855339.db2.gz MNMVVRWXGLDDPI-BFHYXJOUSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259267 838855354 /nfs/dbraw/zinc/85/53/54/838855354.db2.gz MNMVVRWXGLDDPI-BFHYXJOUSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077258940 838856591 /nfs/dbraw/zinc/85/65/91/838856591.db2.gz CSSAZTKLHSVPHW-FVQBIDKESA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077258940 838856604 /nfs/dbraw/zinc/85/66/04/838856604.db2.gz CSSAZTKLHSVPHW-FVQBIDKESA-N 2 2 360.483 0.911 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102016021 844374561 /nfs/dbraw/zinc/37/45/61/844374561.db2.gz YRAQYMLQBNVVKB-MCIONIFRSA-N 2 2 355.462 0.074 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102016021 844374572 /nfs/dbraw/zinc/37/45/72/844374572.db2.gz YRAQYMLQBNVVKB-MCIONIFRSA-N 2 2 355.462 0.074 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001077399367 838948950 /nfs/dbraw/zinc/94/89/50/838948950.db2.gz GWTMYMAMAGVNEN-FRFSOERESA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001077399367 838948960 /nfs/dbraw/zinc/94/89/60/838948960.db2.gz GWTMYMAMAGVNEN-FRFSOERESA-N 2 2 350.463 0.348 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566659 839041995 /nfs/dbraw/zinc/04/19/95/839041995.db2.gz JHLYHXJLATUYCG-OAGGEKHMSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566659 839042010 /nfs/dbraw/zinc/04/20/10/839042010.db2.gz JHLYHXJLATUYCG-OAGGEKHMSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566659 839042022 /nfs/dbraw/zinc/04/20/22/839042022.db2.gz JHLYHXJLATUYCG-OAGGEKHMSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566659 839042032 /nfs/dbraw/zinc/04/20/32/839042032.db2.gz JHLYHXJLATUYCG-OAGGEKHMSA-N 2 2 353.488 0.519 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685227 839113233 /nfs/dbraw/zinc/11/32/33/839113233.db2.gz FPSFSPVZYMQVTH-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685227 839113239 /nfs/dbraw/zinc/11/32/39/839113239.db2.gz FPSFSPVZYMQVTH-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001077778429 839152632 /nfs/dbraw/zinc/15/26/32/839152632.db2.gz IYXNXFAYQOWMLN-HZPDHXFCSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001077778429 839152636 /nfs/dbraw/zinc/15/26/36/839152636.db2.gz IYXNXFAYQOWMLN-HZPDHXFCSA-N 2 2 352.504 0.845 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001102097888 844415258 /nfs/dbraw/zinc/41/52/58/844415258.db2.gz JXTYWALJJGFOTQ-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001102097888 844415265 /nfs/dbraw/zinc/41/52/65/844415265.db2.gz JXTYWALJJGFOTQ-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC001078434566 839462417 /nfs/dbraw/zinc/46/24/17/839462417.db2.gz LOGUQOLITBKDFI-IKGGRYGDSA-N 2 2 355.479 0.093 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290878 844460093 /nfs/dbraw/zinc/46/00/93/844460093.db2.gz YACZDDLRGBXNIH-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290878 844460098 /nfs/dbraw/zinc/46/00/98/844460098.db2.gz YACZDDLRGBXNIH-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318875 844466646 /nfs/dbraw/zinc/46/66/46/844466646.db2.gz NUVCUBOTLCCJGI-VXGBXAGGSA-N 2 2 354.480 0.112 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318875 844466648 /nfs/dbraw/zinc/46/66/48/844466648.db2.gz NUVCUBOTLCCJGI-VXGBXAGGSA-N 2 2 354.480 0.112 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554349 839745273 /nfs/dbraw/zinc/74/52/73/839745273.db2.gz MNKSXRYUTQWFGJ-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554349 839745280 /nfs/dbraw/zinc/74/52/80/839745280.db2.gz MNKSXRYUTQWFGJ-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667540 839774082 /nfs/dbraw/zinc/77/40/82/839774082.db2.gz IWTYENCOQLLUNK-HLLBOEOZSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667540 839774089 /nfs/dbraw/zinc/77/40/89/839774089.db2.gz IWTYENCOQLLUNK-HLLBOEOZSA-N 2 2 350.507 0.822 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102382108 844482216 /nfs/dbraw/zinc/48/22/16/844482216.db2.gz QJKCNEIWNSCQSD-MCIONIFRSA-N 2 2 351.451 0.637 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102382108 844482219 /nfs/dbraw/zinc/48/22/19/844482219.db2.gz QJKCNEIWNSCQSD-MCIONIFRSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407763 844488408 /nfs/dbraw/zinc/48/84/08/844488408.db2.gz KTTIQAAKLKOWGV-INMHGKMJSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407763 844488413 /nfs/dbraw/zinc/48/84/13/844488413.db2.gz KTTIQAAKLKOWGV-INMHGKMJSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414076 844490096 /nfs/dbraw/zinc/49/00/96/844490096.db2.gz YOLKSRXIYMFEIM-RBSFLKMASA-N 2 2 356.492 0.563 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414076 844490101 /nfs/dbraw/zinc/49/01/01/844490101.db2.gz YOLKSRXIYMFEIM-RBSFLKMASA-N 2 2 356.492 0.563 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686001 839999583 /nfs/dbraw/zinc/99/95/83/839999583.db2.gz BAFVBLKPBJAWOS-FVQBIDKESA-N 2 2 355.458 0.622 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686001 839999591 /nfs/dbraw/zinc/99/95/91/839999591.db2.gz BAFVBLKPBJAWOS-FVQBIDKESA-N 2 2 355.458 0.622 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848019 840064174 /nfs/dbraw/zinc/06/41/74/840064174.db2.gz HKVGMAYHGQTSKO-DTZQCDIJSA-N 2 2 353.488 0.783 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848019 840064183 /nfs/dbraw/zinc/06/41/83/840064183.db2.gz HKVGMAYHGQTSKO-DTZQCDIJSA-N 2 2 353.488 0.783 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848019 840064190 /nfs/dbraw/zinc/06/41/90/840064190.db2.gz HKVGMAYHGQTSKO-DTZQCDIJSA-N 2 2 353.488 0.783 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848019 840064200 /nfs/dbraw/zinc/06/42/00/840064200.db2.gz HKVGMAYHGQTSKO-DTZQCDIJSA-N 2 2 353.488 0.783 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949352 840119639 /nfs/dbraw/zinc/11/96/39/840119639.db2.gz LDJHRPLAAZBNTQ-HUUCEWRRSA-N 2 2 366.853 0.557 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949352 840119647 /nfs/dbraw/zinc/11/96/47/840119647.db2.gz LDJHRPLAAZBNTQ-HUUCEWRRSA-N 2 2 366.853 0.557 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082134978 840204775 /nfs/dbraw/zinc/20/47/75/840204775.db2.gz KHDOXXHVXRXDTQ-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082134978 840204797 /nfs/dbraw/zinc/20/47/97/840204797.db2.gz KHDOXXHVXRXDTQ-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082134978 840204811 /nfs/dbraw/zinc/20/48/11/840204811.db2.gz KHDOXXHVXRXDTQ-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082134978 840204824 /nfs/dbraw/zinc/20/48/24/840204824.db2.gz KHDOXXHVXRXDTQ-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482940 844520959 /nfs/dbraw/zinc/52/09/59/844520959.db2.gz PRRRVWDBUDEXFB-OAGGEKHMSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482940 844520965 /nfs/dbraw/zinc/52/09/65/844520965.db2.gz PRRRVWDBUDEXFB-OAGGEKHMSA-N 2 2 350.463 0.832 20 0 FCADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082457780 840420172 /nfs/dbraw/zinc/42/01/72/840420172.db2.gz FJRTWBBGHLRFIL-BPLDGKMQSA-N 2 2 368.503 0.557 20 0 FCADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082457780 840420181 /nfs/dbraw/zinc/42/01/81/840420181.db2.gz FJRTWBBGHLRFIL-BPLDGKMQSA-N 2 2 368.503 0.557 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082517899 840446794 /nfs/dbraw/zinc/44/67/94/840446794.db2.gz NCMZCDSEHULXSR-IUODEOHRSA-N 2 2 363.491 0.547 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082549481 840458872 /nfs/dbraw/zinc/45/88/72/840458872.db2.gz BNVCFHXGPWRVAU-IJEWVQPXSA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082549481 840458875 /nfs/dbraw/zinc/45/88/75/840458875.db2.gz BNVCFHXGPWRVAU-IJEWVQPXSA-N 2 2 368.503 0.604 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)n1 ZINC001082562180 840466930 /nfs/dbraw/zinc/46/69/30/840466930.db2.gz VBRBRDLUPWSPCQ-TZMCWYRMSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)n1 ZINC001082562180 840466935 /nfs/dbraw/zinc/46/69/35/840466935.db2.gz VBRBRDLUPWSPCQ-TZMCWYRMSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082741058 840543633 /nfs/dbraw/zinc/54/36/33/840543633.db2.gz OAAPJCGDXXYYCH-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082741058 840543638 /nfs/dbraw/zinc/54/36/38/840543638.db2.gz OAAPJCGDXXYYCH-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082766688 840548974 /nfs/dbraw/zinc/54/89/74/840548974.db2.gz RQHGMGRQMRLBPS-UMVBOHGHSA-N 2 2 354.476 0.214 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001082884187 840590398 /nfs/dbraw/zinc/59/03/98/840590398.db2.gz HLXYSHQVFFUUEZ-OSAQELSMSA-N 2 2 354.476 0.132 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923404 840603635 /nfs/dbraw/zinc/60/36/35/840603635.db2.gz IPVQRQHBGBKXOC-XJKCOSOUSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001082934331 840613341 /nfs/dbraw/zinc/61/33/41/840613341.db2.gz IRMUVJOTIBILPC-BPLDGKMQSA-N 2 2 352.435 0.340 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001082934331 840613344 /nfs/dbraw/zinc/61/33/44/840613344.db2.gz IRMUVJOTIBILPC-BPLDGKMQSA-N 2 2 352.435 0.340 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538509 844559126 /nfs/dbraw/zinc/55/91/26/844559126.db2.gz DRSLXBRMEUENEB-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538509 844559134 /nfs/dbraw/zinc/55/91/34/844559134.db2.gz DRSLXBRMEUENEB-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210443 840798056 /nfs/dbraw/zinc/79/80/56/840798056.db2.gz CFGAUNAPHVMTOU-OWCLPIDISA-N 2 2 350.463 0.953 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210443 840798060 /nfs/dbraw/zinc/79/80/60/840798060.db2.gz CFGAUNAPHVMTOU-OWCLPIDISA-N 2 2 350.463 0.953 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)s1 ZINC001083273608 840854663 /nfs/dbraw/zinc/85/46/63/840854663.db2.gz AXPATTPIRBYDCB-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)s1 ZINC001083273608 840854671 /nfs/dbraw/zinc/85/46/71/840854671.db2.gz AXPATTPIRBYDCB-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)s1 ZINC001083273608 840854680 /nfs/dbraw/zinc/85/46/80/840854680.db2.gz AXPATTPIRBYDCB-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)s1 ZINC001083273608 840854687 /nfs/dbraw/zinc/85/46/87/840854687.db2.gz AXPATTPIRBYDCB-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP 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Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)s1 ZINC001083455428 841021249 /nfs/dbraw/zinc/02/12/49/841021249.db2.gz CNQSNQCATZFODH-OAGGEKHMSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)s1 ZINC001083455428 841021255 /nfs/dbraw/zinc/02/12/55/841021255.db2.gz CNQSNQCATZFODH-OAGGEKHMSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)s1 ZINC001083455428 841021257 /nfs/dbraw/zinc/02/12/57/841021257.db2.gz CNQSNQCATZFODH-OAGGEKHMSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)sn1 ZINC001083563541 841173841 /nfs/dbraw/zinc/17/38/41/841173841.db2.gz URYXRLVDSJWDTF-CVEARBPZSA-N 2 2 364.515 0.989 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)sn1 ZINC001083563541 841173847 /nfs/dbraw/zinc/17/38/47/841173847.db2.gz URYXRLVDSJWDTF-CVEARBPZSA-N 2 2 364.515 0.989 20 0 FCADLP 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CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083574371 841189090 /nfs/dbraw/zinc/18/90/90/841189090.db2.gz UJXUFIQUJFWEPV-PMPSAXMXSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778280 841422618 /nfs/dbraw/zinc/42/26/18/841422618.db2.gz HJTBXPAKGAIZOC-JLZZUVOBSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778280 841422621 /nfs/dbraw/zinc/42/26/21/841422621.db2.gz HJTBXPAKGAIZOC-JLZZUVOBSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778280 841422623 /nfs/dbraw/zinc/42/26/23/841422623.db2.gz HJTBXPAKGAIZOC-JLZZUVOBSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778280 841422625 /nfs/dbraw/zinc/42/26/25/841422625.db2.gz HJTBXPAKGAIZOC-JLZZUVOBSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833313 841478374 /nfs/dbraw/zinc/47/83/74/841478374.db2.gz UQUYTPYLGRYLQV-SJORKVTESA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833313 841478385 /nfs/dbraw/zinc/47/83/85/841478385.db2.gz UQUYTPYLGRYLQV-SJORKVTESA-N 2 2 350.463 0.685 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056829 841671237 /nfs/dbraw/zinc/67/12/37/841671237.db2.gz PTCZQEQVNAYUIL-BMFZPTHFSA-N 2 2 367.877 0.832 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056829 841671244 /nfs/dbraw/zinc/67/12/44/841671244.db2.gz PTCZQEQVNAYUIL-BMFZPTHFSA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056829 841671250 /nfs/dbraw/zinc/67/12/50/841671250.db2.gz PTCZQEQVNAYUIL-BMFZPTHFSA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056829 841671256 /nfs/dbraw/zinc/67/12/56/841671256.db2.gz PTCZQEQVNAYUIL-BMFZPTHFSA-N 2 2 367.877 0.832 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231731 841750899 /nfs/dbraw/zinc/75/08/99/841750899.db2.gz JTFKOCYCIBNFRB-BZUAXINKSA-N 2 2 364.515 0.845 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084231731 841750906 /nfs/dbraw/zinc/75/09/06/841750906.db2.gz JTFKOCYCIBNFRB-BZUAXINKSA-N 2 2 364.515 0.845 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231731 841750913 /nfs/dbraw/zinc/75/09/13/841750913.db2.gz JTFKOCYCIBNFRB-BZUAXINKSA-N 2 2 364.515 0.845 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231731 841750917 /nfs/dbraw/zinc/75/09/17/841750917.db2.gz JTFKOCYCIBNFRB-BZUAXINKSA-N 2 2 364.515 0.845 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084251576 841755813 /nfs/dbraw/zinc/75/58/13/841755813.db2.gz SVCDBCWLVULVEO-FVQBIDKESA-N 2 2 350.488 0.549 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084251576 841755819 /nfs/dbraw/zinc/75/58/19/841755819.db2.gz SVCDBCWLVULVEO-FVQBIDKESA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084251576 841755821 /nfs/dbraw/zinc/75/58/21/841755821.db2.gz SVCDBCWLVULVEO-FVQBIDKESA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084251576 841755828 /nfs/dbraw/zinc/75/58/28/841755828.db2.gz SVCDBCWLVULVEO-FVQBIDKESA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CCC1 ZINC001084403954 841788175 /nfs/dbraw/zinc/78/81/75/841788175.db2.gz KTHGBWFCHAJOMP-BZUAXINKSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCS(=O)(=O)C4)C[C@H]32)CCC1 ZINC001084403954 841788177 /nfs/dbraw/zinc/78/81/77/841788177.db2.gz KTHGBWFCHAJOMP-BZUAXINKSA-N 2 2 369.531 0.438 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084701773 841890814 /nfs/dbraw/zinc/89/08/14/841890814.db2.gz RHUZFQULBYNEBH-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084701773 841890825 /nfs/dbraw/zinc/89/08/25/841890825.db2.gz RHUZFQULBYNEBH-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084701773 841890834 /nfs/dbraw/zinc/89/08/34/841890834.db2.gz RHUZFQULBYNEBH-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084701773 841890841 /nfs/dbraw/zinc/89/08/41/841890841.db2.gz RHUZFQULBYNEBH-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084832957 841926269 /nfs/dbraw/zinc/92/62/69/841926269.db2.gz HKHAZAPOMYPANI-ARFHVFGLSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084832957 841926278 /nfs/dbraw/zinc/92/62/78/841926278.db2.gz HKHAZAPOMYPANI-ARFHVFGLSA-N 2 2 366.487 0.159 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)sn1 ZINC001085159517 842031878 /nfs/dbraw/zinc/03/18/78/842031878.db2.gz XTIBSCFNAKJZPR-KFWWJZLASA-N 2 2 368.503 0.999 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)sn1 ZINC001085159517 842031891 /nfs/dbraw/zinc/03/18/91/842031891.db2.gz XTIBSCFNAKJZPR-KFWWJZLASA-N 2 2 368.503 0.999 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncs2)O1 ZINC001085242743 842053364 /nfs/dbraw/zinc/05/33/64/842053364.db2.gz FIKJOANPNZMTDD-AAVRWANBSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncs2)O1 ZINC001085242743 842053369 /nfs/dbraw/zinc/05/33/69/842053369.db2.gz FIKJOANPNZMTDD-AAVRWANBSA-N 2 2 353.492 0.774 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnon2)C1 ZINC001085308652 842073775 /nfs/dbraw/zinc/07/37/75/842073775.db2.gz BQFQBNDQJKPJFZ-BZUAXINKSA-N 2 2 351.451 0.696 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnon2)C1 ZINC001085308652 842073788 /nfs/dbraw/zinc/07/37/88/842073788.db2.gz BQFQBNDQJKPJFZ-BZUAXINKSA-N 2 2 351.451 0.696 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400354 842130996 /nfs/dbraw/zinc/13/09/96/842130996.db2.gz CWUIAYPTQLNBHI-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400354 842131000 /nfs/dbraw/zinc/13/10/00/842131000.db2.gz CWUIAYPTQLNBHI-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086400664 842131052 /nfs/dbraw/zinc/13/10/52/842131052.db2.gz RDDGBDRGEPVMMT-AAVRWANBSA-N 2 2 367.519 0.804 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086400664 842131053 /nfs/dbraw/zinc/13/10/53/842131053.db2.gz RDDGBDRGEPVMMT-AAVRWANBSA-N 2 2 367.519 0.804 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087066909 842262281 /nfs/dbraw/zinc/26/22/81/842262281.db2.gz AYZNDSNZCYUPFG-UKRRQHHQSA-N 2 2 364.475 0.696 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087087966 842280368 /nfs/dbraw/zinc/28/03/68/842280368.db2.gz CXUJKQGAJCRSHL-TZMCWYRMSA-N 2 2 364.475 0.765 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087103418 842291288 /nfs/dbraw/zinc/29/12/88/842291288.db2.gz FKWRJORHJBSAGA-ZIAGYGMSSA-N 2 2 364.475 0.696 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001087529299 842346595 /nfs/dbraw/zinc/34/65/95/842346595.db2.gz AOVZKHVYCQDPGD-XHSDSOJGSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1cc(Cl)cn1 ZINC001087529299 842346608 /nfs/dbraw/zinc/34/66/08/842346608.db2.gz AOVZKHVYCQDPGD-XHSDSOJGSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001087529299 842346623 /nfs/dbraw/zinc/34/66/23/842346623.db2.gz AOVZKHVYCQDPGD-XHSDSOJGSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001087529299 842346633 /nfs/dbraw/zinc/34/66/33/842346633.db2.gz AOVZKHVYCQDPGD-XHSDSOJGSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCc1ccns1 ZINC001087529786 842347857 /nfs/dbraw/zinc/34/78/57/842347857.db2.gz UGAWRTLJHMHJNQ-XHSDSOJGSA-N 2 2 352.504 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCc1ccns1 ZINC001087529786 842347868 /nfs/dbraw/zinc/34/78/68/842347868.db2.gz UGAWRTLJHMHJNQ-XHSDSOJGSA-N 2 2 352.504 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCc1ccns1 ZINC001087529786 842347878 /nfs/dbraw/zinc/34/78/78/842347878.db2.gz UGAWRTLJHMHJNQ-XHSDSOJGSA-N 2 2 352.504 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCc1ccns1 ZINC001087529786 842347886 /nfs/dbraw/zinc/34/78/86/842347886.db2.gz UGAWRTLJHMHJNQ-XHSDSOJGSA-N 2 2 352.504 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087773435 842428990 /nfs/dbraw/zinc/42/89/90/842428990.db2.gz NUIMNXBFMKEUJV-DLBZAZTESA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087773435 842428992 /nfs/dbraw/zinc/42/89/92/842428992.db2.gz NUIMNXBFMKEUJV-DLBZAZTESA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001087847778 842451139 /nfs/dbraw/zinc/45/11/39/842451139.db2.gz QPHPPYZDBKRTJY-OWCLPIDISA-N 2 2 368.503 0.677 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001087847778 842451141 /nfs/dbraw/zinc/45/11/41/842451141.db2.gz QPHPPYZDBKRTJY-OWCLPIDISA-N 2 2 368.503 0.677 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C)cs1 ZINC001088506402 842592761 /nfs/dbraw/zinc/59/27/61/842592761.db2.gz TWIHIGNIXOLELU-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C)cs1 ZINC001088506402 842592765 /nfs/dbraw/zinc/59/27/65/842592765.db2.gz TWIHIGNIXOLELU-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)cs1 ZINC001088506402 842592772 /nfs/dbraw/zinc/59/27/72/842592772.db2.gz TWIHIGNIXOLELU-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)cs1 ZINC001088506402 842592777 /nfs/dbraw/zinc/59/27/77/842592777.db2.gz TWIHIGNIXOLELU-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001089038466 842750883 /nfs/dbraw/zinc/75/08/83/842750883.db2.gz XONFTDRHVKZZCI-OAGGEKHMSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001089038466 842750892 /nfs/dbraw/zinc/75/08/92/842750892.db2.gz XONFTDRHVKZZCI-OAGGEKHMSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945575 842777598 /nfs/dbraw/zinc/77/75/98/842777598.db2.gz STGPXCFTVCWKBO-OWCLPIDISA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945575 842777607 /nfs/dbraw/zinc/77/76/07/842777607.db2.gz STGPXCFTVCWKBO-OWCLPIDISA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945575 842777616 /nfs/dbraw/zinc/77/76/16/842777616.db2.gz STGPXCFTVCWKBO-OWCLPIDISA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945575 842777623 /nfs/dbraw/zinc/77/76/23/842777623.db2.gz STGPXCFTVCWKBO-OWCLPIDISA-N 2 2 357.470 0.662 20 0 FCADLP Cc1csc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522024 843226347 /nfs/dbraw/zinc/22/63/47/843226347.db2.gz JCTXBRQBEYMKJS-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1csc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522024 843226352 /nfs/dbraw/zinc/22/63/52/843226352.db2.gz JCTXBRQBEYMKJS-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1csc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522024 843226358 /nfs/dbraw/zinc/22/63/58/843226358.db2.gz JCTXBRQBEYMKJS-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1csc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522024 843226365 /nfs/dbraw/zinc/22/63/65/843226365.db2.gz JCTXBRQBEYMKJS-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP COCOCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317817 861412657 /nfs/dbraw/zinc/41/26/57/861412657.db2.gz MNKCFSLKCDBBDN-QGZVFWFLSA-N 2 2 352.435 0.234 20 0 FCADLP COCOCCC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317817 861412664 /nfs/dbraw/zinc/41/26/64/861412664.db2.gz MNKCFSLKCDBBDN-QGZVFWFLSA-N 2 2 352.435 0.234 20 0 FCADLP COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690795 843457016 /nfs/dbraw/zinc/45/70/16/843457016.db2.gz FFKDHADXROPNFA-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690795 843457023 /nfs/dbraw/zinc/45/70/23/843457023.db2.gz FFKDHADXROPNFA-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP CC(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299871 843544849 /nfs/dbraw/zinc/54/48/49/843544849.db2.gz QZYJIYOKGZMFHG-CZUORRHYSA-N 2 2 350.467 0.126 20 0 FCADLP CC(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299871 843544859 /nfs/dbraw/zinc/54/48/59/843544859.db2.gz QZYJIYOKGZMFHG-CZUORRHYSA-N 2 2 350.467 0.126 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)CN(C[C@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609119 861495886 /nfs/dbraw/zinc/49/58/86/861495886.db2.gz HDKLEUAJMXSXLL-MAUKXSAKSA-N 2 2 355.479 0.393 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)CN(C[C@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609119 861495891 /nfs/dbraw/zinc/49/58/91/861495891.db2.gz HDKLEUAJMXSXLL-MAUKXSAKSA-N 2 2 355.479 0.393 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688124 844800082 /nfs/dbraw/zinc/80/00/82/844800082.db2.gz LGQWKKSKSHMQLO-BFYDXBDKSA-N 2 2 352.479 0.434 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688124 844800084 /nfs/dbraw/zinc/80/00/84/844800084.db2.gz LGQWKKSKSHMQLO-BFYDXBDKSA-N 2 2 352.479 0.434 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+](C)C ZINC001276610825 861498852 /nfs/dbraw/zinc/49/88/52/861498852.db2.gz RQXMZJRUJINTKV-YJBOKZPZSA-N 2 2 355.479 0.583 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+](C)C ZINC001276610825 861498860 /nfs/dbraw/zinc/49/88/60/861498860.db2.gz RQXMZJRUJINTKV-YJBOKZPZSA-N 2 2 355.479 0.583 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740644 844813178 /nfs/dbraw/zinc/81/31/78/844813178.db2.gz PLUPAWUODBCFIJ-FMKPAKJESA-N 2 2 351.451 0.365 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740644 844813181 /nfs/dbraw/zinc/81/31/81/844813181.db2.gz PLUPAWUODBCFIJ-FMKPAKJESA-N 2 2 351.451 0.365 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740644 844813186 /nfs/dbraw/zinc/81/31/86/844813186.db2.gz PLUPAWUODBCFIJ-FMKPAKJESA-N 2 2 351.451 0.365 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740644 844813196 /nfs/dbraw/zinc/81/31/96/844813196.db2.gz PLUPAWUODBCFIJ-FMKPAKJESA-N 2 2 351.451 0.365 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104274386 844889499 /nfs/dbraw/zinc/88/94/99/844889499.db2.gz NKBFTXMDFRKJCX-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104274386 844889506 /nfs/dbraw/zinc/88/95/06/844889506.db2.gz NKBFTXMDFRKJCX-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104362730 844900613 /nfs/dbraw/zinc/90/06/13/844900613.db2.gz GRBPTYGKQARLQD-ZIAGYGMSSA-N 2 2 351.499 0.515 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104362730 844900616 /nfs/dbraw/zinc/90/06/16/844900616.db2.gz GRBPTYGKQARLQD-ZIAGYGMSSA-N 2 2 351.499 0.515 20 0 FCADLP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440350 844912021 /nfs/dbraw/zinc/91/20/21/844912021.db2.gz ALUZHSMUDVQNBE-OAGGEKHMSA-N 2 2 352.479 0.434 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)n1cc[nH+]c1 ZINC001104738026 844936838 /nfs/dbraw/zinc/93/68/38/844936838.db2.gz BUVPYRXTUQMWAJ-BRWVUGGUSA-N 2 2 352.479 0.917 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3csnn3)C2)C1 ZINC001105042073 844973741 /nfs/dbraw/zinc/97/37/41/844973741.db2.gz NFGZLYQCUUOTHG-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3csnn3)C2)C1 ZINC001105042073 844973746 /nfs/dbraw/zinc/97/37/46/844973746.db2.gz NFGZLYQCUUOTHG-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001105042218 844974115 /nfs/dbraw/zinc/97/41/15/844974115.db2.gz RYIXHJRMKFYHSN-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C\Cl)nn3)C2)CC[N@@H+]1C ZINC001105244144 844984570 /nfs/dbraw/zinc/98/45/70/844984570.db2.gz PMLJDELRUJZUGN-KUXCDZRCSA-N 2 2 352.870 0.844 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C\Cl)nn3)C2)CC[N@H+]1C ZINC001105244144 844984578 /nfs/dbraw/zinc/98/45/78/844984578.db2.gz PMLJDELRUJZUGN-KUXCDZRCSA-N 2 2 352.870 0.844 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106464071 845178188 /nfs/dbraw/zinc/17/81/88/845178188.db2.gz CWJXBKSXNNEFPE-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001106498557 845185893 /nfs/dbraw/zinc/18/58/93/845185893.db2.gz CUDBZOTXNOGKEQ-ARFHVFGLSA-N 2 2 370.519 0.638 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106704976 845229100 /nfs/dbraw/zinc/22/91/00/845229100.db2.gz LLRSVLYSDPYWOG-GHMZBOCLSA-N 2 2 361.368 0.315 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705065 845229409 /nfs/dbraw/zinc/22/94/09/845229409.db2.gz PYYIDPVBWMVTCP-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001107076424 845325896 /nfs/dbraw/zinc/32/58/96/845325896.db2.gz WBIUYDJNDJCNIF-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079113 845326673 /nfs/dbraw/zinc/32/66/73/845326673.db2.gz SUZPBDNONYYEQX-UKRRQHHQSA-N 2 2 363.487 0.799 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621466 845408912 /nfs/dbraw/zinc/40/89/12/845408912.db2.gz PKLNGUZCVBDNPV-QGPMSJSTSA-N 2 2 350.463 0.629 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621466 845408916 /nfs/dbraw/zinc/40/89/16/845408916.db2.gz PKLNGUZCVBDNPV-QGPMSJSTSA-N 2 2 350.463 0.629 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276744071 861572477 /nfs/dbraw/zinc/57/24/77/861572477.db2.gz PNLGHWUIGFUWQA-INIZCTEOSA-N 2 2 354.476 0.385 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276744071 861572483 /nfs/dbraw/zinc/57/24/83/861572483.db2.gz PNLGHWUIGFUWQA-INIZCTEOSA-N 2 2 354.476 0.385 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410555 845647551 /nfs/dbraw/zinc/64/75/51/845647551.db2.gz JGEPVWPLYGRGIS-ORQFMDKSSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410555 845647560 /nfs/dbraw/zinc/64/75/60/845647560.db2.gz JGEPVWPLYGRGIS-ORQFMDKSSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410555 845647564 /nfs/dbraw/zinc/64/75/64/845647564.db2.gz JGEPVWPLYGRGIS-ORQFMDKSSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410555 845647571 /nfs/dbraw/zinc/64/75/71/845647571.db2.gz JGEPVWPLYGRGIS-ORQFMDKSSA-N 2 2 369.531 0.627 20 0 FCADLP CCCCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276763926 861590230 /nfs/dbraw/zinc/59/02/30/861590230.db2.gz RWKLCDALTJVSOW-INIZCTEOSA-N 2 2 350.507 0.779 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001109466012 845666087 /nfs/dbraw/zinc/66/60/87/845666087.db2.gz FGTFLJXKWIRQLS-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001109466012 845666094 /nfs/dbraw/zinc/66/60/94/845666094.db2.gz FGTFLJXKWIRQLS-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001109466012 845666099 /nfs/dbraw/zinc/66/60/99/845666099.db2.gz FGTFLJXKWIRQLS-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001109466012 845666104 /nfs/dbraw/zinc/66/61/04/845666104.db2.gz FGTFLJXKWIRQLS-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276771205 861595644 /nfs/dbraw/zinc/59/56/44/861595644.db2.gz AULZZRZKEHHBEY-MRXNPFEDSA-N 2 2 354.476 0.242 20 0 FCADLP CCS(=O)(=O)CC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276771205 861595655 /nfs/dbraw/zinc/59/56/55/861595655.db2.gz AULZZRZKEHHBEY-MRXNPFEDSA-N 2 2 354.476 0.242 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC1 ZINC001109669363 845711343 /nfs/dbraw/zinc/71/13/43/845711343.db2.gz ZHVSLTYHRSTGOG-PMPSAXMXSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC1 ZINC001109669363 845711348 /nfs/dbraw/zinc/71/13/48/845711348.db2.gz ZHVSLTYHRSTGOG-PMPSAXMXSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CC[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276771897 861596987 /nfs/dbraw/zinc/59/69/87/861596987.db2.gz JVDLRCLJTDTEIK-KRWDZBQOSA-N 2 2 368.503 0.775 20 0 FCADLP CCS(=O)(=O)CC[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276771897 861597000 /nfs/dbraw/zinc/59/70/00/861597000.db2.gz JVDLRCLJTDTEIK-KRWDZBQOSA-N 2 2 368.503 0.775 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719935 845720886 /nfs/dbraw/zinc/72/08/86/845720886.db2.gz SAULJJQYCIEERR-PMPSAXMXSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719935 845720890 /nfs/dbraw/zinc/72/08/90/845720890.db2.gz SAULJJQYCIEERR-PMPSAXMXSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719935 845720894 /nfs/dbraw/zinc/72/08/94/845720894.db2.gz SAULJJQYCIEERR-PMPSAXMXSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719935 845720899 /nfs/dbraw/zinc/72/08/99/845720899.db2.gz SAULJJQYCIEERR-PMPSAXMXSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109868112 845751410 /nfs/dbraw/zinc/75/14/10/845751410.db2.gz BNVKWQWAONWZSR-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109868112 845751412 /nfs/dbraw/zinc/75/14/12/845751412.db2.gz BNVKWQWAONWZSR-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001110015058 845777137 /nfs/dbraw/zinc/77/71/37/845777137.db2.gz WBCJPSKUJWYNHQ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001110015058 845777140 /nfs/dbraw/zinc/77/71/40/845777140.db2.gz WBCJPSKUJWYNHQ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001110015058 845777144 /nfs/dbraw/zinc/77/71/44/845777144.db2.gz WBCJPSKUJWYNHQ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001110015058 845777150 /nfs/dbraw/zinc/77/71/50/845777150.db2.gz WBCJPSKUJWYNHQ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110156967 845807773 /nfs/dbraw/zinc/80/77/73/845807773.db2.gz HZJSAPRZFLIEAT-ORQFMDKSSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110156967 845807780 /nfs/dbraw/zinc/80/77/80/845807780.db2.gz HZJSAPRZFLIEAT-ORQFMDKSSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110156967 845807788 /nfs/dbraw/zinc/80/77/88/845807788.db2.gz HZJSAPRZFLIEAT-ORQFMDKSSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110156967 845807791 /nfs/dbraw/zinc/80/77/91/845807791.db2.gz HZJSAPRZFLIEAT-ORQFMDKSSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001276795225 861611073 /nfs/dbraw/zinc/61/10/73/861611073.db2.gz GUIKYEICLFTDKD-CXAGYDPISA-N 2 2 363.449 0.551 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001276795225 861611079 /nfs/dbraw/zinc/61/10/79/861611079.db2.gz GUIKYEICLFTDKD-CXAGYDPISA-N 2 2 363.449 0.551 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001110615092 845929246 /nfs/dbraw/zinc/92/92/46/845929246.db2.gz FXDDPHFEYOTNGV-FPCVCCKLSA-N 2 2 354.470 0.666 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001110615092 845929253 /nfs/dbraw/zinc/92/92/53/845929253.db2.gz FXDDPHFEYOTNGV-FPCVCCKLSA-N 2 2 354.470 0.666 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616899 845930065 /nfs/dbraw/zinc/93/00/65/845930065.db2.gz VDGZRFYBSJPNOO-QXSJWSMHSA-N 2 2 356.486 0.866 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616899 845930072 /nfs/dbraw/zinc/93/00/72/845930072.db2.gz VDGZRFYBSJPNOO-QXSJWSMHSA-N 2 2 356.486 0.866 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)C ZINC001110618457 845931205 /nfs/dbraw/zinc/93/12/05/845931205.db2.gz STPQBZKEGQOCEH-QXSJWSMHSA-N 2 2 356.486 0.912 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)C ZINC001110618457 845931207 /nfs/dbraw/zinc/93/12/07/845931207.db2.gz STPQBZKEGQOCEH-QXSJWSMHSA-N 2 2 356.486 0.912 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001110959632 846002623 /nfs/dbraw/zinc/00/26/23/846002623.db2.gz UNFHYSWWYCVZMN-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001110959632 846002626 /nfs/dbraw/zinc/00/26/26/846002626.db2.gz UNFHYSWWYCVZMN-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146797 846047351 /nfs/dbraw/zinc/04/73/51/846047351.db2.gz ABKXPSWMYUGHKY-JJXSEGSLSA-N 2 2 352.479 0.084 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146797 846047361 /nfs/dbraw/zinc/04/73/61/846047361.db2.gz ABKXPSWMYUGHKY-JJXSEGSLSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277345 846076666 /nfs/dbraw/zinc/07/66/66/846076666.db2.gz MYUPQRJPZGOCCZ-FPCVCCKLSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277345 846076670 /nfs/dbraw/zinc/07/66/70/846076670.db2.gz MYUPQRJPZGOCCZ-FPCVCCKLSA-N 2 2 354.495 0.201 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658731 846168733 /nfs/dbraw/zinc/16/87/33/846168733.db2.gz NGHIJTBUTFBRKC-JZXOWHBKSA-N 2 2 371.547 0.876 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658731 846168738 /nfs/dbraw/zinc/16/87/38/846168738.db2.gz NGHIJTBUTFBRKC-JZXOWHBKSA-N 2 2 371.547 0.876 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658731 846168747 /nfs/dbraw/zinc/16/87/47/846168747.db2.gz NGHIJTBUTFBRKC-JZXOWHBKSA-N 2 2 371.547 0.876 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658731 846168751 /nfs/dbraw/zinc/16/87/51/846168751.db2.gz NGHIJTBUTFBRKC-JZXOWHBKSA-N 2 2 371.547 0.876 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915315 846259611 /nfs/dbraw/zinc/25/96/11/846259611.db2.gz YHVZNCHVRNSVHX-LPHOPBHVSA-N 2 2 350.507 0.825 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111915315 846259620 /nfs/dbraw/zinc/25/96/20/846259620.db2.gz YHVZNCHVRNSVHX-LPHOPBHVSA-N 2 2 350.507 0.825 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021433 846299352 /nfs/dbraw/zinc/29/93/52/846299352.db2.gz NHMVLAVSMXXZNZ-HOCLYGCPSA-N 2 2 354.476 0.289 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021433 846299363 /nfs/dbraw/zinc/29/93/63/846299363.db2.gz NHMVLAVSMXXZNZ-HOCLYGCPSA-N 2 2 354.476 0.289 20 0 FCADLP COC(=O)CC[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276882509 861667015 /nfs/dbraw/zinc/66/70/15/861667015.db2.gz NHTURFZLBYZKRU-KRWDZBQOSA-N 2 2 350.419 0.034 20 0 FCADLP COC(=O)CC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276882509 861667021 /nfs/dbraw/zinc/66/70/21/861667021.db2.gz NHTURFZLBYZKRU-KRWDZBQOSA-N 2 2 350.419 0.034 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122626 846399800 /nfs/dbraw/zinc/39/98/00/846399800.db2.gz YASUTUYXGYARRU-IJLUTSLNSA-N 2 2 350.385 0.196 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122626 846399805 /nfs/dbraw/zinc/39/98/05/846399805.db2.gz YASUTUYXGYARRU-IJLUTSLNSA-N 2 2 350.385 0.196 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112199305 846456996 /nfs/dbraw/zinc/45/69/96/846456996.db2.gz QGIGQVZEBGKVFR-NQBHXWOUSA-N 2 2 364.368 0.247 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001114453597 846551493 /nfs/dbraw/zinc/55/14/93/846551493.db2.gz OIULVJUMMLEUJK-RGDJUOJXSA-N 2 2 365.396 0.331 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001114453597 846551500 /nfs/dbraw/zinc/55/15/00/846551500.db2.gz OIULVJUMMLEUJK-RGDJUOJXSA-N 2 2 365.396 0.331 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001114453597 846551511 /nfs/dbraw/zinc/55/15/11/846551511.db2.gz OIULVJUMMLEUJK-RGDJUOJXSA-N 2 2 365.396 0.331 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC(F)(F)F)C[C@H]32)O1 ZINC001114453597 846551515 /nfs/dbraw/zinc/55/15/15/846551515.db2.gz OIULVJUMMLEUJK-RGDJUOJXSA-N 2 2 365.396 0.331 20 0 FCADLP Cc1cnc(F)c(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001276945850 861699760 /nfs/dbraw/zinc/69/97/60/861699760.db2.gz USUKMFCRXVMLTA-SFHVURJKSA-N 2 2 350.438 0.894 20 0 FCADLP Cc1cnc(F)c(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001276945850 861699769 /nfs/dbraw/zinc/69/97/69/861699769.db2.gz USUKMFCRXVMLTA-SFHVURJKSA-N 2 2 350.438 0.894 20 0 FCADLP CN(C(=O)C(=O)Nc1cnns1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001116765589 846760907 /nfs/dbraw/zinc/76/09/07/846760907.db2.gz JWZRFPHWAKMVFG-LBPRGKRZSA-N 2 2 352.464 0.104 20 0 FCADLP CN(C(=O)C(=O)Nc1cnns1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001116765589 846760915 /nfs/dbraw/zinc/76/09/15/846760915.db2.gz JWZRFPHWAKMVFG-LBPRGKRZSA-N 2 2 352.464 0.104 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144815 846910002 /nfs/dbraw/zinc/91/00/02/846910002.db2.gz KXQVFRVZQOWROV-PBHICJAKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144815 846910008 /nfs/dbraw/zinc/91/00/08/846910008.db2.gz KXQVFRVZQOWROV-PBHICJAKSA-N 2 2 350.507 0.776 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117368424 846985330 /nfs/dbraw/zinc/98/53/30/846985330.db2.gz DPPJGWICJPVDJB-AWEZNQCLSA-N 2 2 354.495 0.155 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117368424 846985340 /nfs/dbraw/zinc/98/53/40/846985340.db2.gz DPPJGWICJPVDJB-AWEZNQCLSA-N 2 2 354.495 0.155 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC001118311351 847376091 /nfs/dbraw/zinc/37/60/91/847376091.db2.gz AEPQCJRYNYQYGN-CABCVRRESA-N 2 2 354.520 0.270 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC001118311351 847376104 /nfs/dbraw/zinc/37/61/04/847376104.db2.gz AEPQCJRYNYQYGN-CABCVRRESA-N 2 2 354.520 0.270 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001118378330 847404022 /nfs/dbraw/zinc/40/40/22/847404022.db2.gz DMBMNDOYYPPCNS-CABCVRRESA-N 2 2 366.487 0.828 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001118378330 847404029 /nfs/dbraw/zinc/40/40/29/847404029.db2.gz DMBMNDOYYPPCNS-CABCVRRESA-N 2 2 366.487 0.828 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH2+]CCC12CCOCC2)[C@H](C)[NH+]1CCOCC1 ZINC001120556200 848240724 /nfs/dbraw/zinc/24/07/24/848240724.db2.gz RBYMJQCTWYTYDO-CVEARBPZSA-N 2 2 354.495 0.650 20 0 FCADLP Cn1cc([C@]2(CNC(=O)NCC[NH+]3CCC([NH3+])CC3)CCCO2)cn1 ZINC001120574337 848246439 /nfs/dbraw/zinc/24/64/39/848246439.db2.gz SKZMFEDHJPGUJK-QGZVFWFLSA-N 2 2 350.467 0.148 20 0 FCADLP O=C(NCC[NH2+]Cc1cc(=O)n2ccsc2n1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891942 848908372 /nfs/dbraw/zinc/90/83/72/848908372.db2.gz ZBDKTVFNIFCDGV-VXGBXAGGSA-N 2 2 358.427 0.489 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130137289 848951326 /nfs/dbraw/zinc/95/13/26/848951326.db2.gz RIOSCYFAOUKBTD-KGLIPLIRSA-N 2 2 364.479 0.012 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130137289 848951330 /nfs/dbraw/zinc/95/13/30/848951330.db2.gz RIOSCYFAOUKBTD-KGLIPLIRSA-N 2 2 364.479 0.012 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131621375 849132004 /nfs/dbraw/zinc/13/20/04/849132004.db2.gz VRFOHFITTYIUGW-KYJSFNMBSA-N 2 2 350.463 0.904 20 0 FCADLP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1nccs1 ZINC001134042428 849169864 /nfs/dbraw/zinc/16/98/64/849169864.db2.gz GWEXEINEIJHNRR-VXGBXAGGSA-N 2 2 362.459 0.349 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CC3)CNC(=O)CO4)s2)CC1 ZINC001139323556 849335685 /nfs/dbraw/zinc/33/56/85/849335685.db2.gz MCRTUXQYLFHDPP-UHFFFAOYSA-N 2 2 365.503 0.376 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277720294 862033596 /nfs/dbraw/zinc/03/35/96/862033596.db2.gz WGHFFZXHDWOFDX-FUHWJXTLSA-N 2 2 350.463 0.738 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277720294 862033615 /nfs/dbraw/zinc/03/36/15/862033615.db2.gz WGHFFZXHDWOFDX-FUHWJXTLSA-N 2 2 350.463 0.738 20 0 FCADLP CCCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735025 862050269 /nfs/dbraw/zinc/05/02/69/862050269.db2.gz OHWYNKDHQPNXJP-AEFFLSMTSA-N 2 2 350.463 0.775 20 0 FCADLP CCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735025 862050283 /nfs/dbraw/zinc/05/02/83/862050283.db2.gz OHWYNKDHQPNXJP-AEFFLSMTSA-N 2 2 350.463 0.775 20 0 FCADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001155373755 849849126 /nfs/dbraw/zinc/84/91/26/849849126.db2.gz UJWVBZHJQJWJBD-CYBMUJFWSA-N 2 2 367.885 0.221 20 0 FCADLP CCNS(=O)(=O)c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1 ZINC001156185887 849894203 /nfs/dbraw/zinc/89/42/03/849894203.db2.gz VWQLSIFIZLBYAT-UHFFFAOYSA-N 2 2 355.508 0.818 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC001157999093 850011259 /nfs/dbraw/zinc/01/12/59/850011259.db2.gz OFLVFDXMHACVET-OLZOCXBDSA-N 2 2 370.247 0.812 20 0 FCADLP CN1CCOc2c(Cl)nnc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)c21 ZINC001158266159 850031679 /nfs/dbraw/zinc/03/16/79/850031679.db2.gz AGCIYTXQOXBVSO-NSHDSACASA-N 2 2 352.870 0.960 20 0 FCADLP CN1CCOc2c(Cl)nnc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)c21 ZINC001158266159 850031683 /nfs/dbraw/zinc/03/16/83/850031683.db2.gz AGCIYTXQOXBVSO-NSHDSACASA-N 2 2 352.870 0.960 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158266179 850032310 /nfs/dbraw/zinc/03/23/10/850032310.db2.gz ATNPSEOWHZPGGQ-CQSZACIVSA-N 2 2 367.519 0.770 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158266179 850032315 /nfs/dbraw/zinc/03/23/15/850032315.db2.gz ATNPSEOWHZPGGQ-CQSZACIVSA-N 2 2 367.519 0.770 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001159076570 850094288 /nfs/dbraw/zinc/09/42/88/850094288.db2.gz JHEKUTRRGGOHNX-ADAWSYLGSA-N 2 2 353.463 0.369 20 0 FCADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)[C@H]2C1 ZINC001159999425 850149696 /nfs/dbraw/zinc/14/96/96/850149696.db2.gz RWXYIQAYYZIMCK-OAGGEKHMSA-N 2 2 366.487 0.141 20 0 FCADLP O=C(NCCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326514 850166079 /nfs/dbraw/zinc/16/60/79/850166079.db2.gz MCAQHLKRDYPFBS-MGPQQGTHSA-N 2 2 354.476 0.434 20 0 FCADLP O=C(NCCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326514 850166083 /nfs/dbraw/zinc/16/60/83/850166083.db2.gz MCAQHLKRDYPFBS-MGPQQGTHSA-N 2 2 354.476 0.434 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160333184 850167399 /nfs/dbraw/zinc/16/73/99/850167399.db2.gz YJHMNJAHGOWVID-IJLUTSLNSA-N 2 2 364.368 0.549 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160333184 850167402 /nfs/dbraw/zinc/16/74/02/850167402.db2.gz YJHMNJAHGOWVID-IJLUTSLNSA-N 2 2 364.368 0.549 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nc(C2CC2)no1 ZINC001160857036 850206435 /nfs/dbraw/zinc/20/64/35/850206435.db2.gz CEMTXPKCDWROSY-MBNYWOFBSA-N 2 2 351.451 0.823 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nc(C2CC2)no1 ZINC001160857036 850206448 /nfs/dbraw/zinc/20/64/48/850206448.db2.gz CEMTXPKCDWROSY-MBNYWOFBSA-N 2 2 351.451 0.823 20 0 FCADLP CCOC(=O)c1c[nH]c2nc[nH+]c(NCCN(CC[NH3+])N(O)N=O)c12 ZINC001161087432 850229341 /nfs/dbraw/zinc/22/93/41/850229341.db2.gz NKRWZAARJOGRBF-UHFFFAOYSA-N 2 2 352.355 0.046 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001161237527 850242068 /nfs/dbraw/zinc/24/20/68/850242068.db2.gz LTIZYMGSUMEMNZ-SWLSCSKDSA-N 2 2 355.385 0.540 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001161237527 850242082 /nfs/dbraw/zinc/24/20/82/850242082.db2.gz LTIZYMGSUMEMNZ-SWLSCSKDSA-N 2 2 355.385 0.540 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCn3cc[nH+]c3)C2)CC1 ZINC001277809548 862109096 /nfs/dbraw/zinc/10/90/96/862109096.db2.gz FSDFESIAPDTUIU-INIZCTEOSA-N 2 2 350.463 0.595 20 0 FCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nc(Cl)nc3c2C[NH2+]CC3)cn1 ZINC001163413302 850366229 /nfs/dbraw/zinc/36/62/29/850366229.db2.gz VZZPOGDOBDZXBF-NSHDSACASA-N 2 2 350.810 0.394 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833097 862121110 /nfs/dbraw/zinc/12/11/10/862121110.db2.gz BFNRBOUKOMTSTC-YOEHRIQHSA-N 2 2 363.449 0.505 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833097 862121114 /nfs/dbraw/zinc/12/11/14/862121114.db2.gz BFNRBOUKOMTSTC-YOEHRIQHSA-N 2 2 363.449 0.505 20 0 FCADLP CS(=O)(=O)N1CCN(c2cccc(N[C@H]3C[NH+]4CCC3CC4)[nH+]2)CC1 ZINC001163386115 850367105 /nfs/dbraw/zinc/36/71/05/850367105.db2.gz MVIMXRNMBYAAHH-HNNXBMFYSA-N 2 2 365.503 0.669 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836892 862124336 /nfs/dbraw/zinc/12/43/36/862124336.db2.gz RKXWVVVUZRZLRU-IEBWSBKVSA-N 2 2 355.523 0.896 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836892 862124341 /nfs/dbraw/zinc/12/43/41/862124341.db2.gz RKXWVVVUZRZLRU-IEBWSBKVSA-N 2 2 355.523 0.896 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837492 862124656 /nfs/dbraw/zinc/12/46/56/862124656.db2.gz YSVOZSOBRXKJNM-HKUYNNGSSA-N 2 2 353.507 0.959 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837492 862124662 /nfs/dbraw/zinc/12/46/62/862124662.db2.gz YSVOZSOBRXKJNM-HKUYNNGSSA-N 2 2 353.507 0.959 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001167271419 850539628 /nfs/dbraw/zinc/53/96/28/850539628.db2.gz QCHAQBHSJVGZSK-ZIAGYGMSSA-N 2 2 368.503 0.444 20 0 FCADLP CCNS(=O)(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(Cl)c1 ZINC001168734863 850591802 /nfs/dbraw/zinc/59/18/02/850591802.db2.gz CKOWAPKUWSUBKS-UHFFFAOYSA-N 2 2 360.871 0.627 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)cc([C@@H]2CCC(=O)NC2)n1 ZINC001169071319 850603883 /nfs/dbraw/zinc/60/38/83/850603883.db2.gz JYHCAXXBLUEQFV-NXEZZACHSA-N 2 2 350.810 0.171 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]cnc3[nH]cc([S@](C)=O)c32)O1 ZINC001170270053 850649086 /nfs/dbraw/zinc/64/90/86/850649086.db2.gz CZQHZJPEOHNTPJ-FDDQHCSTSA-N 2 2 353.448 0.784 20 0 FCADLP CCSC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001173302620 850719658 /nfs/dbraw/zinc/71/96/58/850719658.db2.gz SXRZYUIOIMUYGG-UBHSHLNASA-N 2 2 353.492 0.543 20 0 FCADLP C[NH+](C)CCNC(=S)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001278101325 862186562 /nfs/dbraw/zinc/18/65/62/862186562.db2.gz KJGTXDUGQVHBFS-KRWDZBQOSA-N 2 2 364.519 0.386 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@@]3(F)Cl)CC2)C1=O ZINC001181657826 851126409 /nfs/dbraw/zinc/12/64/09/851126409.db2.gz CRYXGULJBHBEJX-DYVFJYSZSA-N 2 2 374.888 0.608 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@@]3(F)Cl)CC2)C1=O ZINC001181657826 851126416 /nfs/dbraw/zinc/12/64/16/851126416.db2.gz CRYXGULJBHBEJX-DYVFJYSZSA-N 2 2 374.888 0.608 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001185266828 851348290 /nfs/dbraw/zinc/34/82/90/851348290.db2.gz HMEVEBIMMORUSV-OAHLLOKOSA-N 2 2 368.503 0.187 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001185266828 851348296 /nfs/dbraw/zinc/34/82/96/851348296.db2.gz HMEVEBIMMORUSV-OAHLLOKOSA-N 2 2 368.503 0.187 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187858159 851616153 /nfs/dbraw/zinc/61/61/53/851616153.db2.gz YRYPRJMJSMRUEW-YESZJQIVSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187858159 851616159 /nfs/dbraw/zinc/61/61/59/851616159.db2.gz YRYPRJMJSMRUEW-YESZJQIVSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187858159 851616162 /nfs/dbraw/zinc/61/61/62/851616162.db2.gz YRYPRJMJSMRUEW-YESZJQIVSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187858159 851616167 /nfs/dbraw/zinc/61/61/67/851616167.db2.gz YRYPRJMJSMRUEW-YESZJQIVSA-N 2 2 350.507 0.918 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190177351 851870921 /nfs/dbraw/zinc/87/09/21/851870921.db2.gz KQYPHRSEQKZQJX-JKSUJKDBSA-N 2 2 368.503 0.549 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190177351 851870927 /nfs/dbraw/zinc/87/09/27/851870927.db2.gz KQYPHRSEQKZQJX-JKSUJKDBSA-N 2 2 368.503 0.549 20 0 FCADLP COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426362 852236259 /nfs/dbraw/zinc/23/62/59/852236259.db2.gz OZOOBSFVYMSAMB-BZUAXINKSA-N 2 2 350.463 0.719 20 0 FCADLP COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426362 852236271 /nfs/dbraw/zinc/23/62/71/852236271.db2.gz OZOOBSFVYMSAMB-BZUAXINKSA-N 2 2 350.463 0.719 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384924 852418672 /nfs/dbraw/zinc/41/86/72/852418672.db2.gz WPUBCNHUWWOMAO-NWANDNLSSA-N 2 2 355.504 0.746 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384924 852418680 /nfs/dbraw/zinc/41/86/80/852418680.db2.gz WPUBCNHUWWOMAO-NWANDNLSSA-N 2 2 355.504 0.746 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001194236123 852563089 /nfs/dbraw/zinc/56/30/89/852563089.db2.gz SIMKZMKRENIBDV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001194236123 852563098 /nfs/dbraw/zinc/56/30/98/852563098.db2.gz SIMKZMKRENIBDV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001194236123 852563104 /nfs/dbraw/zinc/56/31/04/852563104.db2.gz SIMKZMKRENIBDV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001194236123 852563112 /nfs/dbraw/zinc/56/31/12/852563112.db2.gz SIMKZMKRENIBDV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001195633939 852802657 /nfs/dbraw/zinc/80/26/57/852802657.db2.gz JYASVJNZUDRVHO-CHWSQXEVSA-N 2 2 361.389 0.398 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001195633939 852802661 /nfs/dbraw/zinc/80/26/61/852802661.db2.gz JYASVJNZUDRVHO-CHWSQXEVSA-N 2 2 361.389 0.398 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661581 852807576 /nfs/dbraw/zinc/80/75/76/852807576.db2.gz RBFIKUGVTPXGKX-HZPDHXFCSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661581 852807582 /nfs/dbraw/zinc/80/75/82/852807582.db2.gz RBFIKUGVTPXGKX-HZPDHXFCSA-N 2 2 350.463 0.549 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001196090077 852888624 /nfs/dbraw/zinc/88/86/24/852888624.db2.gz GFLPDKMVIMPYAW-FVQBIDKESA-N 2 2 350.463 0.808 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O)C2 ZINC001196167222 852902979 /nfs/dbraw/zinc/90/29/79/852902979.db2.gz CITLLLNCGVAUMM-USXIJHARSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O)C2 ZINC001196167222 852902987 /nfs/dbraw/zinc/90/29/87/852902987.db2.gz CITLLLNCGVAUMM-USXIJHARSA-N 2 2 350.463 0.340 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O)[NH+](C)C ZINC001196276747 852929403 /nfs/dbraw/zinc/92/94/03/852929403.db2.gz WIDCFUVKDOVQQR-IXDOHACOSA-N 2 2 351.495 0.774 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O)[NH+](C)C ZINC001196276747 852929411 /nfs/dbraw/zinc/92/94/11/852929411.db2.gz WIDCFUVKDOVQQR-IXDOHACOSA-N 2 2 351.495 0.774 20 0 FCADLP COC(=O)CCCCS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001196925641 853031624 /nfs/dbraw/zinc/03/16/24/853031624.db2.gz USQOCNIXEYAGKF-UHFFFAOYSA-N 2 2 370.475 0.918 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955959 853191111 /nfs/dbraw/zinc/19/11/11/853191111.db2.gz RSBJVTVJGMTMRB-HUUCEWRRSA-N 2 2 370.519 0.111 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955959 853191113 /nfs/dbraw/zinc/19/11/13/853191113.db2.gz RSBJVTVJGMTMRB-HUUCEWRRSA-N 2 2 370.519 0.111 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198048643 853210849 /nfs/dbraw/zinc/21/08/49/853210849.db2.gz YBIYHHWSUUSUIX-BRWVUGGUSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198048643 853210854 /nfs/dbraw/zinc/21/08/54/853210854.db2.gz YBIYHHWSUUSUIX-BRWVUGGUSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198048643 853210860 /nfs/dbraw/zinc/21/08/60/853210860.db2.gz YBIYHHWSUUSUIX-BRWVUGGUSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001198048643 853210865 /nfs/dbraw/zinc/21/08/65/853210865.db2.gz YBIYHHWSUUSUIX-BRWVUGGUSA-N 2 2 353.438 0.362 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)s1 ZINC001198690091 853302791 /nfs/dbraw/zinc/30/27/91/853302791.db2.gz UJMWSACHFNKMLS-DAXOMENPSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)s1 ZINC001198690091 853302795 /nfs/dbraw/zinc/30/27/95/853302795.db2.gz UJMWSACHFNKMLS-DAXOMENPSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)sn1 ZINC001198699954 853305459 /nfs/dbraw/zinc/30/54/59/853305459.db2.gz ZOYXQHKBMNWXHL-DAXOMENPSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)sn1 ZINC001198699954 853305464 /nfs/dbraw/zinc/30/54/64/853305464.db2.gz ZOYXQHKBMNWXHL-DAXOMENPSA-N 2 2 368.503 0.081 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH2+]CCO ZINC001198777047 853317931 /nfs/dbraw/zinc/31/79/31/853317931.db2.gz WJDGFLIHDYZRDE-FRFSOERESA-N 2 2 351.447 0.154 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH2+]CCO ZINC001198777047 853317937 /nfs/dbraw/zinc/31/79/37/853317937.db2.gz WJDGFLIHDYZRDE-FRFSOERESA-N 2 2 351.447 0.154 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)sn1 ZINC001199018481 853357022 /nfs/dbraw/zinc/35/70/22/853357022.db2.gz ZIUADLPZYWQUBR-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)sn1 ZINC001199018481 853357025 /nfs/dbraw/zinc/35/70/25/853357025.db2.gz ZIUADLPZYWQUBR-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)sn1 ZINC001199057723 853361430 /nfs/dbraw/zinc/36/14/30/853361430.db2.gz REHLKBKRPXZNQO-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)sn1 ZINC001199057723 853361434 /nfs/dbraw/zinc/36/14/34/853361434.db2.gz REHLKBKRPXZNQO-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111841 853370481 /nfs/dbraw/zinc/37/04/81/853370481.db2.gz OQERXKZCFIUZFK-IAGOWNOFSA-N 2 2 351.495 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111841 853370495 /nfs/dbraw/zinc/37/04/95/853370495.db2.gz OQERXKZCFIUZFK-IAGOWNOFSA-N 2 2 351.495 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111841 853370501 /nfs/dbraw/zinc/37/05/01/853370501.db2.gz OQERXKZCFIUZFK-IAGOWNOFSA-N 2 2 351.495 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111841 853370513 /nfs/dbraw/zinc/37/05/13/853370513.db2.gz OQERXKZCFIUZFK-IAGOWNOFSA-N 2 2 351.495 0.774 20 0 FCADLP CCO[C@@H]1C[C@H]2CN(C(=S)NCCC[NH+]3CCOCC3)CC[N@H+]2C1 ZINC001199943050 853464833 /nfs/dbraw/zinc/46/48/33/853464833.db2.gz VZTOGJSWJDGUJT-JKSUJKDBSA-N 2 2 356.536 0.378 20 0 FCADLP CC(C)[NH+]1CCN(CCNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC001199955216 853468048 /nfs/dbraw/zinc/46/80/48/853468048.db2.gz LXPSDHLBGDPMJD-UHFFFAOYSA-N 2 2 357.568 0.199 20 0 FCADLP CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201428404 853527147 /nfs/dbraw/zinc/52/71/47/853527147.db2.gz ATEBVAFXOOEHHA-ARFHVFGLSA-N 2 2 350.463 0.767 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001278793534 862483576 /nfs/dbraw/zinc/48/35/76/862483576.db2.gz UCBGOFXWCCSNLN-KGLIPLIRSA-N 2 2 359.396 0.942 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001278793534 862483585 /nfs/dbraw/zinc/48/35/85/862483585.db2.gz UCBGOFXWCCSNLN-KGLIPLIRSA-N 2 2 359.396 0.942 20 0 FCADLP COc1cc(Br)cn2ncc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c12 ZINC001206530050 853696390 /nfs/dbraw/zinc/69/63/90/853696390.db2.gz AADDPXCLKFRYEQ-CABZTGNLSA-N 2 2 355.236 0.857 20 0 FCADLP COc1cc(Br)cn2ncc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c12 ZINC001206530050 853696392 /nfs/dbraw/zinc/69/63/92/853696392.db2.gz AADDPXCLKFRYEQ-CABZTGNLSA-N 2 2 355.236 0.857 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922559 853753395 /nfs/dbraw/zinc/75/33/95/853753395.db2.gz QJJTWFTUHUHYHV-QLFBSQMISA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922559 853753401 /nfs/dbraw/zinc/75/34/01/853753401.db2.gz QJJTWFTUHUHYHV-QLFBSQMISA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437652 853813357 /nfs/dbraw/zinc/81/33/57/853813357.db2.gz CMWWCPWXABMSFL-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437652 853813362 /nfs/dbraw/zinc/81/33/62/853813362.db2.gz CMWWCPWXABMSFL-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001207703318 853843608 /nfs/dbraw/zinc/84/36/08/853843608.db2.gz XMGQPUYRMGPLGA-FVQBIDKESA-N 2 2 350.463 0.673 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001207703318 853843613 /nfs/dbraw/zinc/84/36/13/853843613.db2.gz XMGQPUYRMGPLGA-FVQBIDKESA-N 2 2 350.463 0.673 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708730 853844267 /nfs/dbraw/zinc/84/42/67/853844267.db2.gz IAGKZERKVAGKMI-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708730 853844268 /nfs/dbraw/zinc/84/42/68/853844268.db2.gz IAGKZERKVAGKMI-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207708730 853844271 /nfs/dbraw/zinc/84/42/71/853844271.db2.gz IAGKZERKVAGKMI-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001207708730 853844272 /nfs/dbraw/zinc/84/42/72/853844272.db2.gz IAGKZERKVAGKMI-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001207708648 853844983 /nfs/dbraw/zinc/84/49/83/853844983.db2.gz FSKVXSUXYHYVSC-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001207708648 853844988 /nfs/dbraw/zinc/84/49/88/853844988.db2.gz FSKVXSUXYHYVSC-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001207708648 853844993 /nfs/dbraw/zinc/84/49/93/853844993.db2.gz FSKVXSUXYHYVSC-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001207708648 853844998 /nfs/dbraw/zinc/84/49/98/853844998.db2.gz FSKVXSUXYHYVSC-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001207708647 853845424 /nfs/dbraw/zinc/84/54/24/853845424.db2.gz FSKVXSUXYHYVSC-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001207708647 853845426 /nfs/dbraw/zinc/84/54/26/853845426.db2.gz FSKVXSUXYHYVSC-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001207708647 853845429 /nfs/dbraw/zinc/84/54/29/853845429.db2.gz FSKVXSUXYHYVSC-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001207708647 853845431 /nfs/dbraw/zinc/84/54/31/853845431.db2.gz FSKVXSUXYHYVSC-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207987882 853879744 /nfs/dbraw/zinc/87/97/44/853879744.db2.gz AONNCSLYMDYUBO-CZUORRHYSA-N 2 2 364.471 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207987882 853879747 /nfs/dbraw/zinc/87/97/47/853879747.db2.gz AONNCSLYMDYUBO-CZUORRHYSA-N 2 2 364.471 0.819 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609517 853959223 /nfs/dbraw/zinc/95/92/23/853959223.db2.gz MEUFYWPFKCBDIY-DSJMHWKBSA-N 2 2 350.488 0.914 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609517 853959224 /nfs/dbraw/zinc/95/92/24/853959224.db2.gz MEUFYWPFKCBDIY-DSJMHWKBSA-N 2 2 350.488 0.914 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609517 853959229 /nfs/dbraw/zinc/95/92/29/853959229.db2.gz MEUFYWPFKCBDIY-DSJMHWKBSA-N 2 2 350.488 0.914 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609517 853959236 /nfs/dbraw/zinc/95/92/36/853959236.db2.gz MEUFYWPFKCBDIY-DSJMHWKBSA-N 2 2 350.488 0.914 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507102 854032641 /nfs/dbraw/zinc/03/26/41/854032641.db2.gz YNTJNWOVNUDOQI-RHSMWYFYSA-N 2 2 350.438 0.880 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507102 854032646 /nfs/dbraw/zinc/03/26/46/854032646.db2.gz YNTJNWOVNUDOQI-RHSMWYFYSA-N 2 2 350.438 0.880 20 0 FCADLP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209513653 854033931 /nfs/dbraw/zinc/03/39/31/854033931.db2.gz BWEPJWZWQNXJTN-ZIAGYGMSSA-N 2 2 367.412 0.724 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209513653 854033937 /nfs/dbraw/zinc/03/39/37/854033937.db2.gz BWEPJWZWQNXJTN-ZIAGYGMSSA-N 2 2 367.412 0.724 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001209700356 854046620 /nfs/dbraw/zinc/04/66/20/854046620.db2.gz UJKXMVQCPUEMRR-MGPQQGTHSA-N 2 2 354.476 0.149 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374171 854183951 /nfs/dbraw/zinc/18/39/51/854183951.db2.gz BGMDXUAJEPIFGD-KYJSFNMBSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374171 854183954 /nfs/dbraw/zinc/18/39/54/854183954.db2.gz BGMDXUAJEPIFGD-KYJSFNMBSA-N 2 2 350.507 0.822 20 0 FCADLP CO[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001212071643 854354366 /nfs/dbraw/zinc/35/43/66/854354366.db2.gz ZHNZJSKMPXUDBI-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001212071643 854354368 /nfs/dbraw/zinc/35/43/68/854354368.db2.gz ZHNZJSKMPXUDBI-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001212071643 854354374 /nfs/dbraw/zinc/35/43/74/854354374.db2.gz ZHNZJSKMPXUDBI-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001212071643 854354380 /nfs/dbraw/zinc/35/43/80/854354380.db2.gz ZHNZJSKMPXUDBI-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001212368277 854454966 /nfs/dbraw/zinc/45/49/66/854454966.db2.gz JSOFBYBTXDKTEI-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001212368277 854454967 /nfs/dbraw/zinc/45/49/67/854454967.db2.gz JSOFBYBTXDKTEI-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212368277 854454968 /nfs/dbraw/zinc/45/49/68/854454968.db2.gz JSOFBYBTXDKTEI-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212368277 854454969 /nfs/dbraw/zinc/45/49/69/854454969.db2.gz JSOFBYBTXDKTEI-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403460 854465108 /nfs/dbraw/zinc/46/51/08/854465108.db2.gz KXCTUPUUDJCPBA-HUUCEWRRSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403460 854465111 /nfs/dbraw/zinc/46/51/11/854465111.db2.gz KXCTUPUUDJCPBA-HUUCEWRRSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414823 854469460 /nfs/dbraw/zinc/46/94/60/854469460.db2.gz VPMIJRXWWDPORA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414823 854469466 /nfs/dbraw/zinc/46/94/66/854469466.db2.gz VPMIJRXWWDPORA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414823 854469470 /nfs/dbraw/zinc/46/94/70/854469470.db2.gz VPMIJRXWWDPORA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414823 854469476 /nfs/dbraw/zinc/46/94/76/854469476.db2.gz VPMIJRXWWDPORA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414609 854469620 /nfs/dbraw/zinc/46/96/20/854469620.db2.gz PDUKXZZPKFMRQX-HUUCEWRRSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414609 854469622 /nfs/dbraw/zinc/46/96/22/854469622.db2.gz PDUKXZZPKFMRQX-HUUCEWRRSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414609 854469623 /nfs/dbraw/zinc/46/96/23/854469623.db2.gz PDUKXZZPKFMRQX-HUUCEWRRSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414609 854469625 /nfs/dbraw/zinc/46/96/25/854469625.db2.gz PDUKXZZPKFMRQX-HUUCEWRRSA-N 2 2 354.495 0.201 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212477121 854494718 /nfs/dbraw/zinc/49/47/18/854494718.db2.gz UALZEPMHXKRGJF-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212477121 854494726 /nfs/dbraw/zinc/49/47/26/854494726.db2.gz UALZEPMHXKRGJF-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CCC1 ZINC001213243791 854547983 /nfs/dbraw/zinc/54/79/83/854547983.db2.gz JLHBQVDNXFZKMS-IXDOHACOSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CCC1 ZINC001213243791 854547993 /nfs/dbraw/zinc/54/79/93/854547993.db2.gz JLHBQVDNXFZKMS-IXDOHACOSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001213336368 854578688 /nfs/dbraw/zinc/57/86/88/854578688.db2.gz WUVIMGLFYJXXIU-NUEKZKHPSA-N 2 2 353.463 0.931 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001213336368 854578692 /nfs/dbraw/zinc/57/86/92/854578692.db2.gz WUVIMGLFYJXXIU-NUEKZKHPSA-N 2 2 353.463 0.931 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346600 854583142 /nfs/dbraw/zinc/58/31/42/854583142.db2.gz UWNRELDNJIEJEN-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346600 854583152 /nfs/dbraw/zinc/58/31/52/854583152.db2.gz UWNRELDNJIEJEN-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346472 854583900 /nfs/dbraw/zinc/58/39/00/854583900.db2.gz OLMUKVZSYHIWSI-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346472 854583904 /nfs/dbraw/zinc/58/39/04/854583904.db2.gz OLMUKVZSYHIWSI-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213370821 854591101 /nfs/dbraw/zinc/59/11/01/854591101.db2.gz MVSNNTHJGUCGKB-ZIAGYGMSSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213370821 854591113 /nfs/dbraw/zinc/59/11/13/854591113.db2.gz MVSNNTHJGUCGKB-ZIAGYGMSSA-N 2 2 367.412 0.723 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213434783 854614074 /nfs/dbraw/zinc/61/40/74/854614074.db2.gz LCMHLLVYRXBMIX-BRWVUGGUSA-N 2 2 351.495 0.856 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001213442075 854618460 /nfs/dbraw/zinc/61/84/60/854618460.db2.gz LJVRMEXHUCPKMB-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001213442075 854618468 /nfs/dbraw/zinc/61/84/68/854618468.db2.gz LJVRMEXHUCPKMB-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001213442075 854618473 /nfs/dbraw/zinc/61/84/73/854618473.db2.gz LJVRMEXHUCPKMB-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001213442075 854618477 /nfs/dbraw/zinc/61/84/77/854618477.db2.gz LJVRMEXHUCPKMB-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446697 854620873 /nfs/dbraw/zinc/62/08/73/854620873.db2.gz SHOVDMCXGLGDDH-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446697 854620875 /nfs/dbraw/zinc/62/08/75/854620875.db2.gz SHOVDMCXGLGDDH-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446697 854620877 /nfs/dbraw/zinc/62/08/77/854620877.db2.gz SHOVDMCXGLGDDH-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446697 854620880 /nfs/dbraw/zinc/62/08/80/854620880.db2.gz SHOVDMCXGLGDDH-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC)[NH+](C)C ZINC001213455874 854624659 /nfs/dbraw/zinc/62/46/59/854624659.db2.gz RORDYWIUZPSOIJ-IXDOHACOSA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC)[NH+](C)C ZINC001213455874 854624665 /nfs/dbraw/zinc/62/46/65/854624665.db2.gz RORDYWIUZPSOIJ-IXDOHACOSA-N 2 2 350.463 0.746 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCC)C[C@H]1OC ZINC001213588611 854677748 /nfs/dbraw/zinc/67/77/48/854677748.db2.gz MFHHPQSHFHEUFI-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCC)C[C@H]1OC ZINC001213588611 854677749 /nfs/dbraw/zinc/67/77/49/854677749.db2.gz MFHHPQSHFHEUFI-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)C[C@H]1OC ZINC001213588611 854677751 /nfs/dbraw/zinc/67/77/51/854677751.db2.gz MFHHPQSHFHEUFI-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)C[C@H]1OC ZINC001213588611 854677753 /nfs/dbraw/zinc/67/77/53/854677753.db2.gz MFHHPQSHFHEUFI-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213599182 854680389 /nfs/dbraw/zinc/68/03/89/854680389.db2.gz WAXCQYHAEYJERO-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213599182 854680402 /nfs/dbraw/zinc/68/04/02/854680402.db2.gz WAXCQYHAEYJERO-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213598455 854680743 /nfs/dbraw/zinc/68/07/43/854680743.db2.gz GWXVYHNIJAEDMZ-HUUCEWRRSA-N 2 2 370.519 0.375 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213598455 854680745 /nfs/dbraw/zinc/68/07/45/854680745.db2.gz GWXVYHNIJAEDMZ-HUUCEWRRSA-N 2 2 370.519 0.375 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213671799 854708448 /nfs/dbraw/zinc/70/84/48/854708448.db2.gz RWBMPEQSRCZFKC-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213671799 854708454 /nfs/dbraw/zinc/70/84/54/854708454.db2.gz RWBMPEQSRCZFKC-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213671799 854708464 /nfs/dbraw/zinc/70/84/64/854708464.db2.gz RWBMPEQSRCZFKC-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213671799 854708470 /nfs/dbraw/zinc/70/84/70/854708470.db2.gz RWBMPEQSRCZFKC-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754138 854751795 /nfs/dbraw/zinc/75/17/95/854751795.db2.gz USDXNMRHJIASGA-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754138 854751801 /nfs/dbraw/zinc/75/18/01/854751801.db2.gz USDXNMRHJIASGA-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213801977 854774184 /nfs/dbraw/zinc/77/41/84/854774184.db2.gz ITOLVVDKYQGXRX-IAGOWNOFSA-N 2 2 352.479 0.985 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213801977 854774191 /nfs/dbraw/zinc/77/41/91/854774191.db2.gz ITOLVVDKYQGXRX-IAGOWNOFSA-N 2 2 352.479 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929873 854830318 /nfs/dbraw/zinc/83/03/18/854830318.db2.gz PGFVZCKAQXCXSB-BZUAXINKSA-N 2 2 356.511 0.397 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929873 854830325 /nfs/dbraw/zinc/83/03/25/854830325.db2.gz PGFVZCKAQXCXSB-BZUAXINKSA-N 2 2 356.511 0.397 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929873 854830332 /nfs/dbraw/zinc/83/03/32/854830332.db2.gz PGFVZCKAQXCXSB-BZUAXINKSA-N 2 2 356.511 0.397 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929873 854830335 /nfs/dbraw/zinc/83/03/35/854830335.db2.gz PGFVZCKAQXCXSB-BZUAXINKSA-N 2 2 356.511 0.397 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214530886 854964077 /nfs/dbraw/zinc/96/40/77/854964077.db2.gz IOHWGHXFPPPLKP-HUUCEWRRSA-N 2 2 370.519 0.992 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672627 854990297 /nfs/dbraw/zinc/99/02/97/854990297.db2.gz QLVYXQHVLHZWLP-VNQPRFMTSA-N 2 2 350.463 0.206 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001214814196 855018040 /nfs/dbraw/zinc/01/80/40/855018040.db2.gz JTXXKJDOACAXGO-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001214814196 855018043 /nfs/dbraw/zinc/01/80/43/855018043.db2.gz JTXXKJDOACAXGO-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214988063 855048293 /nfs/dbraw/zinc/04/82/93/855048293.db2.gz HZKODBWHXIPYHG-IJEWVQPXSA-N 2 2 368.503 0.317 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215008393 855051877 /nfs/dbraw/zinc/05/18/77/855051877.db2.gz NBUNZJJKFGDCCR-QLFBSQMISA-N 2 2 368.503 0.317 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215514213 855123540 /nfs/dbraw/zinc/12/35/40/855123540.db2.gz FEBCDFVOYKUBFV-YRGRVCCFSA-N 2 2 354.476 0.311 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001217004850 855274820 /nfs/dbraw/zinc/27/48/20/855274820.db2.gz CULXFIZQMKUKPT-JHJVBQTASA-N 2 2 364.368 0.259 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218214059 855407455 /nfs/dbraw/zinc/40/74/55/855407455.db2.gz MFOTUKMFSQBLPD-JKSUJKDBSA-N 2 2 352.435 0.298 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218214059 855407464 /nfs/dbraw/zinc/40/74/64/855407464.db2.gz MFOTUKMFSQBLPD-JKSUJKDBSA-N 2 2 352.435 0.298 20 0 FCADLP Nc1ccc(I)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218506014 855431337 /nfs/dbraw/zinc/43/13/37/855431337.db2.gz PYNHOYGFSAVOES-RWYTXXIDSA-N 2 2 373.198 0.429 20 0 FCADLP COC(=O)c1nc(Br)sc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218778930 855478372 /nfs/dbraw/zinc/47/83/72/855478372.db2.gz VGHWUUACMVOOQO-ZCFIWIBFSA-N 2 2 374.220 0.924 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218814628 855481245 /nfs/dbraw/zinc/48/12/45/855481245.db2.gz SZNHGAIBHHQENC-MELADBBJSA-N 2 2 367.412 0.553 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218814628 855481246 /nfs/dbraw/zinc/48/12/46/855481246.db2.gz SZNHGAIBHHQENC-MELADBBJSA-N 2 2 367.412 0.553 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 ZINC001218980530 855505485 /nfs/dbraw/zinc/50/54/85/855505485.db2.gz FIBNMTVLPYWAGV-ZFWWWQNUSA-N 2 2 352.460 0.240 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055178 855529794 /nfs/dbraw/zinc/52/97/94/855529794.db2.gz ZSVWKQHMCXACIB-JKSUJKDBSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055178 855529801 /nfs/dbraw/zinc/52/98/01/855529801.db2.gz ZSVWKQHMCXACIB-JKSUJKDBSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219055178 855529809 /nfs/dbraw/zinc/52/98/09/855529809.db2.gz ZSVWKQHMCXACIB-JKSUJKDBSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219055178 855529816 /nfs/dbraw/zinc/52/98/16/855529816.db2.gz ZSVWKQHMCXACIB-JKSUJKDBSA-N 2 2 354.495 0.105 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219301017 855621530 /nfs/dbraw/zinc/62/15/30/855621530.db2.gz FLBZGAXGDZEHJJ-UHFFFAOYSA-N 2 2 350.394 0.327 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411772 855662419 /nfs/dbraw/zinc/66/24/19/855662419.db2.gz WWSGHFKFVPXYTJ-FRRDWIJNSA-N 2 2 353.385 0.211 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411772 855662422 /nfs/dbraw/zinc/66/24/22/855662422.db2.gz WWSGHFKFVPXYTJ-FRRDWIJNSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411772 855662425 /nfs/dbraw/zinc/66/24/25/855662425.db2.gz WWSGHFKFVPXYTJ-FRRDWIJNSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411772 855662427 /nfs/dbraw/zinc/66/24/27/855662427.db2.gz WWSGHFKFVPXYTJ-FRRDWIJNSA-N 2 2 353.385 0.211 20 0 FCADLP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cccc(Br)c1 ZINC001219577798 855720448 /nfs/dbraw/zinc/72/04/48/855720448.db2.gz NJIZDRMHHGDKIE-ABAIWWIYSA-N 2 2 352.232 0.700 20 0 FCADLP O=C(CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cccc(Br)c1 ZINC001219577531 855720556 /nfs/dbraw/zinc/72/05/56/855720556.db2.gz CRHIDGZFWYQNRE-WCFLWFBJSA-N 2 2 352.232 0.698 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)CC[N@@H+]1C ZINC001219661084 855758661 /nfs/dbraw/zinc/75/86/61/855758661.db2.gz SNQNOMISJMZDCM-DGAVXFQQSA-N 2 2 367.412 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)CC[N@H+]1C ZINC001219661084 855758669 /nfs/dbraw/zinc/75/86/69/855758669.db2.gz SNQNOMISJMZDCM-DGAVXFQQSA-N 2 2 367.412 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001219661084 855758675 /nfs/dbraw/zinc/75/86/75/855758675.db2.gz SNQNOMISJMZDCM-DGAVXFQQSA-N 2 2 367.412 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001219661084 855758680 /nfs/dbraw/zinc/75/86/80/855758680.db2.gz SNQNOMISJMZDCM-DGAVXFQQSA-N 2 2 367.412 0.457 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799909 855819852 /nfs/dbraw/zinc/81/98/52/855819852.db2.gz BZSMUYHPPWARDN-CVEARBPZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799909 855819857 /nfs/dbraw/zinc/81/98/57/855819857.db2.gz BZSMUYHPPWARDN-CVEARBPZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804563 855822888 /nfs/dbraw/zinc/82/28/88/855822888.db2.gz ZTLZKVTZDGINGD-VYDXJSESSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804563 855822895 /nfs/dbraw/zinc/82/28/95/855822895.db2.gz ZTLZKVTZDGINGD-VYDXJSESSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)o1 ZINC001219814180 855829711 /nfs/dbraw/zinc/82/97/11/855829711.db2.gz WTJHEHRBTAKBMR-CABCVRRESA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)o1 ZINC001219814180 855829717 /nfs/dbraw/zinc/82/97/17/855829717.db2.gz WTJHEHRBTAKBMR-CABCVRRESA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)o1 ZINC001219814180 855829724 /nfs/dbraw/zinc/82/97/24/855829724.db2.gz WTJHEHRBTAKBMR-CABCVRRESA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)o1 ZINC001219814180 855829733 /nfs/dbraw/zinc/82/97/33/855829733.db2.gz WTJHEHRBTAKBMR-CABCVRRESA-N 2 2 350.463 0.691 20 0 FCADLP Cc1nn(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(C)c1Br ZINC001219997315 855910745 /nfs/dbraw/zinc/91/07/45/855910745.db2.gz RWZRERGHLMXAAU-FZMZJTMJSA-N 2 2 356.268 0.330 20 0 FCADLP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NC2C[NH+](C)C2)cc1 ZINC001220013222 855917826 /nfs/dbraw/zinc/91/78/26/855917826.db2.gz LUKCXYUMSVTAGI-INIZCTEOSA-N 2 2 368.503 0.201 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220018107 855921563 /nfs/dbraw/zinc/92/15/63/855921563.db2.gz YTNGEKXBKYEBMS-WBVHZDCISA-N 2 2 350.463 0.348 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220018107 855921567 /nfs/dbraw/zinc/92/15/67/855921567.db2.gz YTNGEKXBKYEBMS-WBVHZDCISA-N 2 2 350.463 0.348 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001220158989 855988441 /nfs/dbraw/zinc/98/84/41/855988441.db2.gz LEMZJKWFNMIXPC-MRXNPFEDSA-N 2 2 364.515 0.572 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232411 856023599 /nfs/dbraw/zinc/02/35/99/856023599.db2.gz UVANTZMTAXCBAQ-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232411 856023606 /nfs/dbraw/zinc/02/36/06/856023606.db2.gz UVANTZMTAXCBAQ-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220297078 856050000 /nfs/dbraw/zinc/05/00/00/856050000.db2.gz KDPWPQQONSYAIR-HLLBOEOZSA-N 2 2 350.463 0.338 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220297078 856050001 /nfs/dbraw/zinc/05/00/01/856050001.db2.gz KDPWPQQONSYAIR-HLLBOEOZSA-N 2 2 350.463 0.338 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)[NH+](C)C ZINC001220379907 856096152 /nfs/dbraw/zinc/09/61/52/856096152.db2.gz JFPLUXRELPWKGG-IKGGRYGDSA-N 2 2 353.438 0.320 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)[NH+](C)C ZINC001220379907 856096155 /nfs/dbraw/zinc/09/61/55/856096155.db2.gz JFPLUXRELPWKGG-IKGGRYGDSA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382941 856099167 /nfs/dbraw/zinc/09/91/67/856099167.db2.gz RXBJESPIABCRKW-ANQUJSFKSA-N 2 2 350.463 0.500 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382941 856099170 /nfs/dbraw/zinc/09/91/70/856099170.db2.gz RXBJESPIABCRKW-ANQUJSFKSA-N 2 2 350.463 0.500 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442169 856127222 /nfs/dbraw/zinc/12/72/22/856127222.db2.gz ZOZRSKWXJDIUKO-OIISXLGYSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442169 856127233 /nfs/dbraw/zinc/12/72/33/856127233.db2.gz ZOZRSKWXJDIUKO-OIISXLGYSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476628 856145316 /nfs/dbraw/zinc/14/53/16/856145316.db2.gz POYORNGVXJFNHS-KFWWJZLASA-N 2 2 363.449 0.694 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476628 856145321 /nfs/dbraw/zinc/14/53/21/856145321.db2.gz POYORNGVXJFNHS-KFWWJZLASA-N 2 2 363.449 0.694 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482297 856147617 /nfs/dbraw/zinc/14/76/17/856147617.db2.gz LLSVVVPLVROVNQ-CVEARBPZSA-N 2 2 352.479 0.983 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482297 856147621 /nfs/dbraw/zinc/14/76/21/856147621.db2.gz LLSVVVPLVROVNQ-CVEARBPZSA-N 2 2 352.479 0.983 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550180 856179768 /nfs/dbraw/zinc/17/97/68/856179768.db2.gz MCHQNPZZPUCPIX-SJORKVTESA-N 2 2 352.479 0.950 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550180 856179771 /nfs/dbraw/zinc/17/97/71/856179771.db2.gz MCHQNPZZPUCPIX-SJORKVTESA-N 2 2 352.479 0.950 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccc(Br)cc1 ZINC001220608650 856204149 /nfs/dbraw/zinc/20/41/49/856204149.db2.gz XMAVYIMSPDSGEE-DOERSZECSA-N 3 2 353.264 0.515 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220772071 856290536 /nfs/dbraw/zinc/29/05/36/856290536.db2.gz KAKJATGSJNZJNX-WBVHZDCISA-N 2 2 350.463 0.595 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220772071 856290540 /nfs/dbraw/zinc/29/05/40/856290540.db2.gz KAKJATGSJNZJNX-WBVHZDCISA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799247 856306644 /nfs/dbraw/zinc/30/66/44/856306644.db2.gz SAXBUALTJRYCCP-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799247 856306650 /nfs/dbraw/zinc/30/66/50/856306650.db2.gz SAXBUALTJRYCCP-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822424 856323415 /nfs/dbraw/zinc/32/34/15/856323415.db2.gz YBIYHHWSUUSUIX-IKGGRYGDSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822424 856323419 /nfs/dbraw/zinc/32/34/19/856323419.db2.gz YBIYHHWSUUSUIX-IKGGRYGDSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822424 856323425 /nfs/dbraw/zinc/32/34/25/856323425.db2.gz YBIYHHWSUUSUIX-IKGGRYGDSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822424 856323428 /nfs/dbraw/zinc/32/34/28/856323428.db2.gz YBIYHHWSUUSUIX-IKGGRYGDSA-N 2 2 353.438 0.362 20 0 FCADLP CCOC(=O)C1(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[NH2+]C1 ZINC001220851353 856336338 /nfs/dbraw/zinc/33/63/38/856336338.db2.gz SFHAUTLJNPCFHG-LLVKDONJSA-N 2 2 356.220 0.470 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917072 856372921 /nfs/dbraw/zinc/37/29/21/856372921.db2.gz LUIPYZQANWSWSC-ZWKOTPCHSA-N 3 2 351.539 0.508 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917072 856372929 /nfs/dbraw/zinc/37/29/29/856372929.db2.gz LUIPYZQANWSWSC-ZWKOTPCHSA-N 3 2 351.539 0.508 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557458 856606369 /nfs/dbraw/zinc/60/63/69/856606369.db2.gz PAWGCIWCJQXFLV-IXDOHACOSA-N 2 2 369.531 0.296 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557458 856606375 /nfs/dbraw/zinc/60/63/75/856606375.db2.gz PAWGCIWCJQXFLV-IXDOHACOSA-N 2 2 369.531 0.296 20 0 FCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)[nH]1 ZINC001279303373 862817747 /nfs/dbraw/zinc/81/77/47/862817747.db2.gz FORZMYYZSUACSE-IYBDPMFKSA-N 2 2 350.463 0.638 20 0 FCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)[nH]1 ZINC001279303373 862817762 /nfs/dbraw/zinc/81/77/62/862817762.db2.gz FORZMYYZSUACSE-IYBDPMFKSA-N 2 2 350.463 0.638 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001279320049 862824047 /nfs/dbraw/zinc/82/40/47/862824047.db2.gz HBDDEVFQENUWLI-HOTGVXAUSA-N 2 2 365.459 0.254 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001279320049 862824066 /nfs/dbraw/zinc/82/40/66/862824066.db2.gz HBDDEVFQENUWLI-HOTGVXAUSA-N 2 2 365.459 0.254 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947064 856742884 /nfs/dbraw/zinc/74/28/84/856742884.db2.gz QFZZJHJLCWTQHC-KWCYVHTRSA-N 2 2 360.380 0.809 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947064 856742887 /nfs/dbraw/zinc/74/28/87/856742887.db2.gz QFZZJHJLCWTQHC-KWCYVHTRSA-N 2 2 360.380 0.809 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013970 856767556 /nfs/dbraw/zinc/76/75/56/856767556.db2.gz PGRQZAJTKDRADH-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013970 856767561 /nfs/dbraw/zinc/76/75/61/856767561.db2.gz PGRQZAJTKDRADH-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013970 856767562 /nfs/dbraw/zinc/76/75/62/856767562.db2.gz PGRQZAJTKDRADH-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013970 856767567 /nfs/dbraw/zinc/76/75/67/856767567.db2.gz PGRQZAJTKDRADH-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001222016709 856768267 /nfs/dbraw/zinc/76/82/67/856768267.db2.gz XMRMRTOULJHJCN-HUUCEWRRSA-N 2 2 354.476 0.159 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001222016709 856768280 /nfs/dbraw/zinc/76/82/80/856768280.db2.gz XMRMRTOULJHJCN-HUUCEWRRSA-N 2 2 354.476 0.159 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018312 856769480 /nfs/dbraw/zinc/76/94/80/856769480.db2.gz WUNKKNDGRUWIFJ-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018312 856769485 /nfs/dbraw/zinc/76/94/85/856769485.db2.gz WUNKKNDGRUWIFJ-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224140534 856962549 /nfs/dbraw/zinc/96/25/49/856962549.db2.gz OPLCVIMANWJUMX-SJORKVTESA-N 2 2 371.547 0.830 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224140534 856962555 /nfs/dbraw/zinc/96/25/55/856962555.db2.gz OPLCVIMANWJUMX-SJORKVTESA-N 2 2 371.547 0.830 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001225962003 857074219 /nfs/dbraw/zinc/07/42/19/857074219.db2.gz ULPOQJPKPJFUKX-RRFJBIMHSA-N 2 2 368.503 0.794 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229046089 857246202 /nfs/dbraw/zinc/24/62/02/857246202.db2.gz JAMFDXDVKOBMSV-BPLDGKMQSA-N 2 2 371.507 0.155 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229046089 857246212 /nfs/dbraw/zinc/24/62/12/857246212.db2.gz JAMFDXDVKOBMSV-BPLDGKMQSA-N 2 2 371.507 0.155 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)C1 ZINC001279502323 862918709 /nfs/dbraw/zinc/91/87/09/862918709.db2.gz PQMSEARETWWRQJ-RDBSUJKOSA-N 2 2 364.412 0.985 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)C1 ZINC001279502323 862918722 /nfs/dbraw/zinc/91/87/22/862918722.db2.gz PQMSEARETWWRQJ-RDBSUJKOSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)C1 ZINC001279502323 862918732 /nfs/dbraw/zinc/91/87/32/862918732.db2.gz PQMSEARETWWRQJ-RDBSUJKOSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)C1 ZINC001279502323 862918742 /nfs/dbraw/zinc/91/87/42/862918742.db2.gz PQMSEARETWWRQJ-RDBSUJKOSA-N 2 2 364.412 0.985 20 0 FCADLP COC(=O)c1cccc(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001239439117 857528676 /nfs/dbraw/zinc/52/86/76/857528676.db2.gz ROALBGZGUUABMC-UHFFFAOYSA-N 2 2 365.503 0.254 20 0 FCADLP CCOC1(OCC)CC[NH2+]C[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246121742 857569436 /nfs/dbraw/zinc/56/94/36/857569436.db2.gz SFVSTINKPRNULY-SOUVJXGZSA-N 2 2 357.495 0.779 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CN1 ZINC001246189238 857570492 /nfs/dbraw/zinc/57/04/92/857570492.db2.gz AYTUTCBHSBRHAT-HPGRBHQUSA-N 2 2 355.479 0.851 20 0 FCADLP COC(=O)[C@@H]1C[C@H](n2nc(COCc3nccs3)c3c2C[NH2+]C3)C[NH2+]1 ZINC001246703005 857592455 /nfs/dbraw/zinc/59/24/55/857592455.db2.gz HHDFGFCGBNCOLV-JQWIXIFHSA-N 2 2 363.443 0.736 20 0 FCADLP COC(=O)C1C[C@@H]2CC([NH+]3CCN(C4CC[NH2+]CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246791662 857600681 /nfs/dbraw/zinc/60/06/81/857600681.db2.gz HVXPRZMFLJWKSY-BHBVFMNGSA-N 3 2 350.507 0.428 20 0 FCADLP CS(=O)(=O)c1cccc(-c2noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n2)c1 ZINC001248635685 857634277 /nfs/dbraw/zinc/63/42/77/857634277.db2.gz RZPVFOIAVKQLGZ-NSHDSACASA-N 2 2 352.420 0.403 20 0 FCADLP C[NH+]1CCC(Oc2ccc(NC[C@@H](O)C[NH+]3CCOCC3)nc2)CC1 ZINC001251011338 857679093 /nfs/dbraw/zinc/67/90/93/857679093.db2.gz KSXVHKNFPHMKPR-OAHLLOKOSA-N 2 2 350.463 0.660 20 0 FCADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014045 857680850 /nfs/dbraw/zinc/68/08/50/857680850.db2.gz MWRJXXMYJPFZLF-RTBURBONSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014045 857680856 /nfs/dbraw/zinc/68/08/56/857680856.db2.gz MWRJXXMYJPFZLF-RTBURBONSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014045 857680862 /nfs/dbraw/zinc/68/08/62/857680862.db2.gz MWRJXXMYJPFZLF-RTBURBONSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014045 857680868 /nfs/dbraw/zinc/68/08/68/857680868.db2.gz MWRJXXMYJPFZLF-RTBURBONSA-N 2 2 355.523 0.502 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)COc1ccc(F)cc1)NCCc1c[nH]c[nH+]1 ZINC001251945810 857770217 /nfs/dbraw/zinc/77/02/17/857770217.db2.gz AKKUTDXBKBCSFM-OAHLLOKOSA-N 2 2 350.394 0.627 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)COc1ccc(F)cc1)NCCc1c[nH+]c[nH]1 ZINC001251945810 857770225 /nfs/dbraw/zinc/77/02/25/857770225.db2.gz AKKUTDXBKBCSFM-OAHLLOKOSA-N 2 2 350.394 0.627 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001253212699 857872909 /nfs/dbraw/zinc/87/29/09/857872909.db2.gz OXOAAPBLAOLFGL-QGZVFWFLSA-N 2 2 369.531 0.864 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001253811429 857917971 /nfs/dbraw/zinc/91/79/71/857917971.db2.gz WRRRTXNLMCNKHK-SQNIBIBYSA-N 2 2 350.459 0.773 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001253811429 857917983 /nfs/dbraw/zinc/91/79/83/857917983.db2.gz WRRRTXNLMCNKHK-SQNIBIBYSA-N 2 2 350.459 0.773 20 0 FCADLP COC(C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1)OC ZINC001279586988 862969036 /nfs/dbraw/zinc/96/90/36/862969036.db2.gz ZZBLJCJLCYOPEZ-PMPSAXMXSA-N 2 2 353.463 0.001 20 0 FCADLP COC(C[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1)OC ZINC001279586988 862969043 /nfs/dbraw/zinc/96/90/43/862969043.db2.gz ZZBLJCJLCYOPEZ-PMPSAXMXSA-N 2 2 353.463 0.001 20 0 FCADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857662 857989255 /nfs/dbraw/zinc/98/92/55/857989255.db2.gz RCCVSVZPFMBPST-LMMKCTJWSA-N 2 2 351.491 0.524 20 0 FCADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857662 857989256 /nfs/dbraw/zinc/98/92/56/857989256.db2.gz RCCVSVZPFMBPST-LMMKCTJWSA-N 2 2 351.491 0.524 20 0 FCADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857661 857989465 /nfs/dbraw/zinc/98/94/65/857989465.db2.gz RCCVSVZPFMBPST-AOIWGVFYSA-N 2 2 351.491 0.524 20 0 FCADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857661 857989468 /nfs/dbraw/zinc/98/94/68/857989468.db2.gz RCCVSVZPFMBPST-AOIWGVFYSA-N 2 2 351.491 0.524 20 0 FCADLP C[C@H](CC(F)(F)F)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001255646975 858027406 /nfs/dbraw/zinc/02/74/06/858027406.db2.gz UBDUQIKCYQLHSH-USWWRNFRSA-N 2 2 361.368 0.743 20 0 FCADLP CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075676 858052230 /nfs/dbraw/zinc/05/22/30/858052230.db2.gz AFVLWMGOIHVQRM-IEBWSBKVSA-N 2 2 351.491 0.999 20 0 FCADLP CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075676 858052233 /nfs/dbraw/zinc/05/22/33/858052233.db2.gz AFVLWMGOIHVQRM-IEBWSBKVSA-N 2 2 351.491 0.999 20 0 FCADLP COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256197533 858055883 /nfs/dbraw/zinc/05/58/83/858055883.db2.gz KJIMPVJYPCTTRZ-INIZCTEOSA-N 2 2 351.447 0.537 20 0 FCADLP CS(=O)(=O)N1CCC(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)CC1 ZINC001279616473 862981565 /nfs/dbraw/zinc/98/15/65/862981565.db2.gz KWAXFBKXCNUAMH-UHFFFAOYSA-N 2 2 367.519 0.315 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC1CCC([NH+]2CCOCC2)CC1 ZINC001256683825 858095608 /nfs/dbraw/zinc/09/56/08/858095608.db2.gz IRZOWFDEMGOODG-DQPZFDDXSA-N 2 2 350.463 0.737 20 0 FCADLP CC(C)CSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258414092 858197533 /nfs/dbraw/zinc/19/75/33/858197533.db2.gz RBASWPDKKXIIOV-HNNXBMFYSA-N 2 2 370.563 0.777 20 0 FCADLP CC(C)CSCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258414092 858197535 /nfs/dbraw/zinc/19/75/35/858197535.db2.gz RBASWPDKKXIIOV-HNNXBMFYSA-N 2 2 370.563 0.777 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)nc1OC ZINC001279676970 863004540 /nfs/dbraw/zinc/00/45/40/863004540.db2.gz UAXUBQJCABPQBO-IYBDPMFKSA-N 2 2 350.463 0.545 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)nc1OC ZINC001279676970 863004553 /nfs/dbraw/zinc/00/45/53/863004553.db2.gz UAXUBQJCABPQBO-IYBDPMFKSA-N 2 2 350.463 0.545 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H](F)C3)C2)CC1 ZINC001261467341 858558010 /nfs/dbraw/zinc/55/80/10/858558010.db2.gz GNFUJVJCJGYNCJ-ILXRZTDVSA-N 2 2 354.470 0.668 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H](F)C3)C2)CC1 ZINC001261467341 858558014 /nfs/dbraw/zinc/55/80/14/858558014.db2.gz GNFUJVJCJGYNCJ-ILXRZTDVSA-N 2 2 354.470 0.668 20 0 FCADLP CSC1(CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC[NH+](C)CC1 ZINC001263764505 859207045 /nfs/dbraw/zinc/20/70/45/859207045.db2.gz LFVNSJYQBUFIGB-CABCVRRESA-N 2 2 357.568 0.747 20 0 FCADLP CSC1(CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC[NH+](C)CC1 ZINC001263764505 859207051 /nfs/dbraw/zinc/20/70/51/859207051.db2.gz LFVNSJYQBUFIGB-CABCVRRESA-N 2 2 357.568 0.747 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001263896245 859229080 /nfs/dbraw/zinc/22/90/80/859229080.db2.gz SVGVSWYLOQEJNA-GJZGRUSLSA-N 2 2 365.503 0.401 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001263896245 859229091 /nfs/dbraw/zinc/22/90/91/859229091.db2.gz SVGVSWYLOQEJNA-GJZGRUSLSA-N 2 2 365.503 0.401 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001264005355 859277043 /nfs/dbraw/zinc/27/70/43/859277043.db2.gz STPFOSBQRGQMPT-CABCVRRESA-N 2 2 351.499 0.659 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001264005355 859277055 /nfs/dbraw/zinc/27/70/55/859277055.db2.gz STPFOSBQRGQMPT-CABCVRRESA-N 2 2 351.499 0.659 20 0 FCADLP CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001273249575 860426481 /nfs/dbraw/zinc/42/64/81/860426481.db2.gz WRYSSSSUTXJESX-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CC[N@H+]1CCC[C@@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001273249575 860426490 /nfs/dbraw/zinc/42/64/90/860426490.db2.gz WRYSSSSUTXJESX-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+](C)C1)C2 ZINC001273254152 860428431 /nfs/dbraw/zinc/42/84/31/860428431.db2.gz ILMAPGMBUARISR-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273254152 860428434 /nfs/dbraw/zinc/42/84/34/860428434.db2.gz ILMAPGMBUARISR-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001274419309 860746378 /nfs/dbraw/zinc/74/63/78/860746378.db2.gz RPTLYDWRFDHSHS-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP COC(C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1)OC ZINC001275492870 861110392 /nfs/dbraw/zinc/11/03/92/861110392.db2.gz AMBPLSDAVXCVLT-QGZVFWFLSA-N 2 2 352.435 0.090 20 0 FCADLP COC(C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1)OC ZINC001275492870 861110397 /nfs/dbraw/zinc/11/03/97/861110397.db2.gz AMBPLSDAVXCVLT-QGZVFWFLSA-N 2 2 352.435 0.090 20 0 FCADLP COC(C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1)OC ZINC001275493731 861112362 /nfs/dbraw/zinc/11/23/62/861112362.db2.gz ODFWNVWLJPZXSR-KRWDZBQOSA-N 2 2 350.419 0.380 20 0 FCADLP COC(C[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1)OC ZINC001275493731 861112371 /nfs/dbraw/zinc/11/23/71/861112371.db2.gz ODFWNVWLJPZXSR-KRWDZBQOSA-N 2 2 350.419 0.380 20 0 FCADLP c1cn(CCN2CCO[C@@]3(CCC[N@H+](C[C@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028640 863203926 /nfs/dbraw/zinc/20/39/26/863203926.db2.gz OAGXEBRRMVJEJC-ROUUACIJSA-N 2 2 350.463 0.465 20 0 FCADLP c1cn(CCN2CCO[C@@]3(CCC[N@@H+](C[C@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028640 863203931 /nfs/dbraw/zinc/20/39/31/863203931.db2.gz OAGXEBRRMVJEJC-ROUUACIJSA-N 2 2 350.463 0.465 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC001349067737 866224123 /nfs/dbraw/zinc/22/41/23/866224123.db2.gz XZRLMQDOQOWCMX-UHFFFAOYSA-N 2 2 352.479 0.705 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC001349067737 866224139 /nfs/dbraw/zinc/22/41/39/866224139.db2.gz XZRLMQDOQOWCMX-UHFFFAOYSA-N 2 2 352.479 0.705 20 0 FCADLP CC(C)(CNC(=O)Cn1cc(C[NH2+]CC2CC2)nn1)[NH+]1CCOCC1 ZINC001349738536 866427793 /nfs/dbraw/zinc/42/77/93/866427793.db2.gz UGAYYRXPRVGTFM-UHFFFAOYSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)n1cc[nH+]c1 ZINC001320379792 868152105 /nfs/dbraw/zinc/15/21/05/868152105.db2.gz ZQQLPHZREJCGDQ-ZDUSSCGKSA-N 2 2 365.459 0.923 20 0 FCADLP CS(=O)(=O)CCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001325785179 870033148 /nfs/dbraw/zinc/03/31/48/870033148.db2.gz CXVCILXOPKCGRH-UHFFFAOYSA-N 2 2 361.552 0.588 20 0 FCADLP CS(=O)(=O)CCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC001325785179 870033161 /nfs/dbraw/zinc/03/31/61/870033161.db2.gz CXVCILXOPKCGRH-UHFFFAOYSA-N 2 2 361.552 0.588 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001326094648 870165613 /nfs/dbraw/zinc/16/56/13/870165613.db2.gz MBIYAKHFWWLLGN-QKPAOTATSA-N 2 2 373.519 0.041 20 0 FCADLP C[C@H]1CC(C)(C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326294200 870244044 /nfs/dbraw/zinc/24/40/44/870244044.db2.gz MHULRZHBUSTSKF-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CC(C)(C)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326294200 870244058 /nfs/dbraw/zinc/24/40/58/870244058.db2.gz MHULRZHBUSTSKF-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC001326451717 870323505 /nfs/dbraw/zinc/32/35/05/870323505.db2.gz QJYQDGDOJVHMCT-HUUCEWRRSA-N 2 2 356.486 0.868 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC001326451717 870323520 /nfs/dbraw/zinc/32/35/20/870323520.db2.gz QJYQDGDOJVHMCT-HUUCEWRRSA-N 2 2 356.486 0.868 20 0 FCADLP CCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326572081 870387513 /nfs/dbraw/zinc/38/75/13/870387513.db2.gz MDBINPUSDNENAN-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326572081 870387526 /nfs/dbraw/zinc/38/75/26/870387526.db2.gz MDBINPUSDNENAN-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001343423890 870417937 /nfs/dbraw/zinc/41/79/37/870417937.db2.gz NJVXVVDQJNOTPW-UHFFFAOYSA-N 2 2 353.488 0.427 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326880751 870549119 /nfs/dbraw/zinc/54/91/19/870549119.db2.gz BCBXYAVVEPJWKK-GUTXKFCHSA-N 2 2 354.520 0.281 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326880751 870549125 /nfs/dbraw/zinc/54/91/25/870549125.db2.gz BCBXYAVVEPJWKK-GUTXKFCHSA-N 2 2 354.520 0.281 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC001344129819 870757273 /nfs/dbraw/zinc/75/72/73/870757273.db2.gz RYVNXXOHYBXAQW-GOSISDBHSA-N 2 2 352.523 0.582 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC(F)(F)F ZINC001327447522 870879546 /nfs/dbraw/zinc/87/95/46/870879546.db2.gz PTNNNGMDPDDIDS-UHFFFAOYSA-N 2 2 352.401 0.539 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC(F)(F)F ZINC001327447522 870879564 /nfs/dbraw/zinc/87/95/64/870879564.db2.gz PTNNNGMDPDDIDS-UHFFFAOYSA-N 2 2 352.401 0.539 20 0 FCADLP C[C@H]1CCC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345541167 871401412 /nfs/dbraw/zinc/40/14/12/871401412.db2.gz UDKFAEIJRIIGAV-WMLDXEAASA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001346110787 871650103 /nfs/dbraw/zinc/65/01/03/871650103.db2.gz UJYJADQTETVWKB-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP CN(CC1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328843518 871661632 /nfs/dbraw/zinc/66/16/32/871661632.db2.gz KCGVDBDKZBBLRN-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328843518 871661638 /nfs/dbraw/zinc/66/16/38/871661638.db2.gz KCGVDBDKZBBLRN-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001346159512 871674920 /nfs/dbraw/zinc/67/49/20/871674920.db2.gz MEKWMLDRPLWACG-INIZCTEOSA-N 2 2 354.495 0.807 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001346159512 871674928 /nfs/dbraw/zinc/67/49/28/871674928.db2.gz MEKWMLDRPLWACG-INIZCTEOSA-N 2 2 354.495 0.807 20 0 FCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346159512 871674932 /nfs/dbraw/zinc/67/49/32/871674932.db2.gz MEKWMLDRPLWACG-INIZCTEOSA-N 2 2 354.495 0.807 20 0 FCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346159512 871674936 /nfs/dbraw/zinc/67/49/36/871674936.db2.gz MEKWMLDRPLWACG-INIZCTEOSA-N 2 2 354.495 0.807 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001347186688 872210004 /nfs/dbraw/zinc/21/00/04/872210004.db2.gz NIKUXRCSWCFBSS-HOTGVXAUSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001347186688 872210025 /nfs/dbraw/zinc/21/00/25/872210025.db2.gz NIKUXRCSWCFBSS-HOTGVXAUSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001347186688 872210045 /nfs/dbraw/zinc/21/00/45/872210045.db2.gz NIKUXRCSWCFBSS-HOTGVXAUSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001347186688 872210063 /nfs/dbraw/zinc/21/00/63/872210063.db2.gz NIKUXRCSWCFBSS-HOTGVXAUSA-N 2 2 355.527 0.373 20 0 FCADLP CCOC(=O)C1(S(=O)(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CCC1 ZINC001329754004 872231289 /nfs/dbraw/zinc/23/12/89/872231289.db2.gz HQHCBOGHJUWCJF-AWEZNQCLSA-N 2 2 359.492 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C[C@H](C)O1 ZINC001348580133 872730255 /nfs/dbraw/zinc/73/02/55/872730255.db2.gz JCVVHMZPOQFWTF-ZBRFXRBCSA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)C[C@H](C)O1 ZINC001348580133 872730262 /nfs/dbraw/zinc/73/02/62/872730262.db2.gz JCVVHMZPOQFWTF-ZBRFXRBCSA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@H](C)O1 ZINC001348580133 872730270 /nfs/dbraw/zinc/73/02/70/872730270.db2.gz JCVVHMZPOQFWTF-ZBRFXRBCSA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@H](C)O1 ZINC001348580133 872730277 /nfs/dbraw/zinc/73/02/77/872730277.db2.gz JCVVHMZPOQFWTF-ZBRFXRBCSA-N 2 2 350.507 0.475 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348664300 872757129 /nfs/dbraw/zinc/75/71/29/872757129.db2.gz NAIPWFWJAIRHCZ-ZACQAIPSSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348664300 872757135 /nfs/dbraw/zinc/75/71/35/872757135.db2.gz NAIPWFWJAIRHCZ-ZACQAIPSSA-N 2 2 355.527 0.373 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001331121114 872968818 /nfs/dbraw/zinc/96/88/18/872968818.db2.gz YNRAJFHQPCNUQX-BZUAXINKSA-N 2 2 352.479 0.086 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCS(C)(=O)=O ZINC001332028936 873343822 /nfs/dbraw/zinc/34/38/22/873343822.db2.gz NIPLOQSMCHARFV-UHFFFAOYSA-N 2 2 362.540 0.479 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCS(C)(=O)=O ZINC001332028936 873343832 /nfs/dbraw/zinc/34/38/32/873343832.db2.gz NIPLOQSMCHARFV-UHFFFAOYSA-N 2 2 362.540 0.479 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158335 873396604 /nfs/dbraw/zinc/39/66/04/873396604.db2.gz XTFDJOGOFZNRDX-INMHGKMJSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158335 873396620 /nfs/dbraw/zinc/39/66/20/873396620.db2.gz XTFDJOGOFZNRDX-INMHGKMJSA-N 2 2 350.507 0.918 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)c1nnnn1C[C@@H]1CCCCO1 ZINC001332547245 873554565 /nfs/dbraw/zinc/55/45/65/873554565.db2.gz YNPXWDFGKMUBAY-INIZCTEOSA-N 2 2 351.499 0.704 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnnn1C[C@@H]1CCCCO1 ZINC001332547245 873554568 /nfs/dbraw/zinc/55/45/68/873554568.db2.gz YNPXWDFGKMUBAY-INIZCTEOSA-N 2 2 351.499 0.704 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCCCS(N)(=O)=O)C2)CC1 ZINC001332590019 873570931 /nfs/dbraw/zinc/57/09/31/873570931.db2.gz YGDUQWHLQJUPMZ-AWEZNQCLSA-N 2 2 360.524 0.120 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCCCS(N)(=O)=O)C2)CC1 ZINC001332590019 873570939 /nfs/dbraw/zinc/57/09/39/873570939.db2.gz YGDUQWHLQJUPMZ-AWEZNQCLSA-N 2 2 360.524 0.120 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574945096 949409396 /nfs/dbraw/zinc/40/93/96/949409396.db2.gz KPCLDPOYDZTESL-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574945096 949409404 /nfs/dbraw/zinc/40/94/04/949409404.db2.gz KPCLDPOYDZTESL-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575276738 949726027 /nfs/dbraw/zinc/72/60/27/949726027.db2.gz KVXWNAIDXQHONJ-NWDGAFQWSA-N 2 2 369.433 0.355 20 0 FCADLP CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001573818274 949727085 /nfs/dbraw/zinc/72/70/85/949727085.db2.gz JNACCBXLVQQAGY-CQSZACIVSA-N 2 2 369.433 0.523 20 0 FCADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724374 949870048 /nfs/dbraw/zinc/87/00/48/949870048.db2.gz HNDQVWPJRGNIDS-LBPRGKRZSA-N 2 2 355.406 0.229 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574730388 950032309 /nfs/dbraw/zinc/03/23/09/950032309.db2.gz RVECXNMAHSSBKT-LLVKDONJSA-N 2 2 374.474 0.841 20 0 FCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574159232 950298416 /nfs/dbraw/zinc/29/84/16/950298416.db2.gz UMTGESOXBFLLHA-AWEZNQCLSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576202857 950435073 /nfs/dbraw/zinc/43/50/73/950435073.db2.gz DDCFLYDNJJEUIT-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576202857 950435085 /nfs/dbraw/zinc/43/50/85/950435085.db2.gz DDCFLYDNJJEUIT-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981228 950580453 /nfs/dbraw/zinc/58/04/53/950580453.db2.gz HEUMWQFPBDVCHB-STQMWFEESA-N 2 2 356.434 0.298 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981228 950580464 /nfs/dbraw/zinc/58/04/64/950580464.db2.gz HEUMWQFPBDVCHB-STQMWFEESA-N 2 2 356.434 0.298 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576207401 950595872 /nfs/dbraw/zinc/59/58/72/950595872.db2.gz HEUMWQFPBDVCHB-QWHCGFSZSA-N 2 2 356.434 0.298 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576207401 950595878 /nfs/dbraw/zinc/59/58/78/950595878.db2.gz HEUMWQFPBDVCHB-QWHCGFSZSA-N 2 2 356.434 0.298 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576207794 950601714 /nfs/dbraw/zinc/60/17/14/950601714.db2.gz JKBIKEDJYOHSAA-ZDUSSCGKSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574516305 950638532 /nfs/dbraw/zinc/63/85/32/950638532.db2.gz HNSQRSVNSXHUCR-AVGNSLFASA-N 2 2 367.417 0.591 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026152 951471293 /nfs/dbraw/zinc/47/12/93/951471293.db2.gz TVCIUDFZWSWBHZ-OAHLLOKOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026152 951471300 /nfs/dbraw/zinc/47/13/00/951471300.db2.gz TVCIUDFZWSWBHZ-OAHLLOKOSA-N 2 2 366.429 0.762 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571026201 951471978 /nfs/dbraw/zinc/47/19/78/951471978.db2.gz VMHNIAATJSJVSY-OAHLLOKOSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571026201 951471982 /nfs/dbraw/zinc/47/19/82/951471982.db2.gz VMHNIAATJSJVSY-OAHLLOKOSA-N 2 2 366.429 0.533 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571027062 951487722 /nfs/dbraw/zinc/48/77/22/951487722.db2.gz FRGFKUUNUUCPGI-MRXNPFEDSA-N 2 2 366.429 0.913 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077677 951674693 /nfs/dbraw/zinc/67/46/93/951674693.db2.gz IDLXWAKZKUEQQI-LBPRGKRZSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575091974 951787253 /nfs/dbraw/zinc/78/72/53/951787253.db2.gz WWFKUHOVOKMUOU-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575104314 951883161 /nfs/dbraw/zinc/88/31/61/951883161.db2.gz ZFLMDGWKHMVMHH-NSHDSACASA-N 2 2 360.447 0.761 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575147420 952200294 /nfs/dbraw/zinc/20/02/94/952200294.db2.gz SWMROIRXIUICDM-GFCCVEGCSA-N 2 2 355.406 0.229 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571103700 952358818 /nfs/dbraw/zinc/35/88/18/952358818.db2.gz OUOHDRTUDAOJQM-LBPRGKRZSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292507552 214105265 /nfs/dbraw/zinc/10/52/65/214105265.db2.gz PNZFTQHPPJPWIU-DLBZAZTESA-N 2 2 371.485 0.721 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293289541 214160810 /nfs/dbraw/zinc/16/08/10/214160810.db2.gz FYSCCKSEYKPZFM-KBPBESRZSA-N 2 2 359.430 0.807 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000293390226 214170538 /nfs/dbraw/zinc/17/05/38/214170538.db2.gz LTSLVNHOYBOWAF-AWEZNQCLSA-N 2 2 372.473 0.581 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000293390226 214170542 /nfs/dbraw/zinc/17/05/42/214170542.db2.gz LTSLVNHOYBOWAF-AWEZNQCLSA-N 2 2 372.473 0.581 20 0 FCADLP COC(=O)C1CC[NH+](CCCNc2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294502449 214249616 /nfs/dbraw/zinc/24/96/16/214249616.db2.gz SUTTUQSCFGQBGN-CYBMUJFWSA-N 2 2 351.451 0.956 20 0 FCADLP COC(=O)C1CC[NH+](CCCNc2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000294502449 214249619 /nfs/dbraw/zinc/24/96/19/214249619.db2.gz SUTTUQSCFGQBGN-CYBMUJFWSA-N 2 2 351.451 0.956 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000297170936 214384349 /nfs/dbraw/zinc/38/43/49/214384349.db2.gz TVSURGOBLRKGKX-OKILXGFUSA-N 2 2 358.446 0.844 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410939675 529696927 /nfs/dbraw/zinc/69/69/27/529696927.db2.gz WAAAMFYOBONRTD-JKSUJKDBSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410939675 529696930 /nfs/dbraw/zinc/69/69/30/529696930.db2.gz WAAAMFYOBONRTD-JKSUJKDBSA-N 2 2 368.522 0.233 20 0 FCADLP COc1ccc(F)cc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000291071375 214012013 /nfs/dbraw/zinc/01/20/13/214012013.db2.gz RYQGZZLTRXTOAI-INIZCTEOSA-N 2 2 351.422 0.857 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410732023 529900762 /nfs/dbraw/zinc/90/07/62/529900762.db2.gz IZOPKCKJCRUYSI-OAHLLOKOSA-N 2 2 361.490 0.754 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410732023 529900763 /nfs/dbraw/zinc/90/07/63/529900763.db2.gz IZOPKCKJCRUYSI-OAHLLOKOSA-N 2 2 361.490 0.754 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410568771 529909257 /nfs/dbraw/zinc/90/92/57/529909257.db2.gz CWZHSDMDOMLOTF-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410568771 529909258 /nfs/dbraw/zinc/90/92/58/529909258.db2.gz CWZHSDMDOMLOTF-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265548814 210164262 /nfs/dbraw/zinc/16/42/62/210164262.db2.gz YGKBIGMOQITLSF-JSGCOSHPSA-N 2 2 354.476 0.623 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410576452 530015082 /nfs/dbraw/zinc/01/50/82/530015082.db2.gz WVUGNTQZJZECNW-UHFFFAOYSA-N 2 2 359.474 0.875 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265484270 210145803 /nfs/dbraw/zinc/14/58/03/210145803.db2.gz LQWGGNZEHLVDFE-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265484270 210145807 /nfs/dbraw/zinc/14/58/07/210145807.db2.gz LQWGGNZEHLVDFE-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265484270 210145812 /nfs/dbraw/zinc/14/58/12/210145812.db2.gz LQWGGNZEHLVDFE-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265484270 210145817 /nfs/dbraw/zinc/14/58/17/210145817.db2.gz LQWGGNZEHLVDFE-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000331529127 215009908 /nfs/dbraw/zinc/00/99/08/215009908.db2.gz GSCAIPOHADRUTI-QZWWFDLISA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000331529127 215009910 /nfs/dbraw/zinc/00/99/10/215009910.db2.gz GSCAIPOHADRUTI-QZWWFDLISA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528646 215010909 /nfs/dbraw/zinc/01/09/09/215010909.db2.gz ONEFSMAJYXLXOD-NCOADZHNSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528646 215010912 /nfs/dbraw/zinc/01/09/12/215010912.db2.gz ONEFSMAJYXLXOD-NCOADZHNSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528646 215010915 /nfs/dbraw/zinc/01/09/15/215010915.db2.gz ONEFSMAJYXLXOD-NCOADZHNSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528646 215010916 /nfs/dbraw/zinc/01/09/16/215010916.db2.gz ONEFSMAJYXLXOD-NCOADZHNSA-N 2 2 366.506 0.249 20 0 FCADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)co1 ZINC000331561359 215014289 /nfs/dbraw/zinc/01/42/89/215014289.db2.gz BTGBMIQHOJSLGR-UHFFFAOYSA-N 2 2 362.474 0.898 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000331572222 215017322 /nfs/dbraw/zinc/01/73/22/215017322.db2.gz DMJLTVHNGHFFIL-HZPDHXFCSA-N 2 2 351.495 0.454 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331646192 215028130 /nfs/dbraw/zinc/02/81/30/215028130.db2.gz VPDLFLBHMAWQQF-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331646192 215028134 /nfs/dbraw/zinc/02/81/34/215028134.db2.gz VPDLFLBHMAWQQF-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000331733778 215041701 /nfs/dbraw/zinc/04/17/01/215041701.db2.gz SXYXISIUHVTKNK-BRWVUGGUSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000331733778 215041703 /nfs/dbraw/zinc/04/17/03/215041703.db2.gz SXYXISIUHVTKNK-BRWVUGGUSA-N 2 2 366.506 0.107 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000332009256 215078640 /nfs/dbraw/zinc/07/86/40/215078640.db2.gz CWIVIERJFZFWIA-IRXDYDNUSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000332009256 215078645 /nfs/dbraw/zinc/07/86/45/215078645.db2.gz CWIVIERJFZFWIA-IRXDYDNUSA-N 2 2 373.501 0.837 20 0 FCADLP C[C@H]1OCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000332018937 215079914 /nfs/dbraw/zinc/07/99/14/215079914.db2.gz FJGHNTLPJMOAAL-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000332161799 215103390 /nfs/dbraw/zinc/10/33/90/215103390.db2.gz QSJAGQSYBPVGSD-CQSZACIVSA-N 2 2 352.479 0.750 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000332495970 215162108 /nfs/dbraw/zinc/16/21/08/215162108.db2.gz DXNLQXQJESZABS-UHFFFAOYSA-N 2 2 359.474 0.591 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332526219 215169886 /nfs/dbraw/zinc/16/98/86/215169886.db2.gz COTPJZAOXAHEPM-OWCLPIDISA-N 2 2 359.474 0.496 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@@H]1C ZINC000332524856 215167259 /nfs/dbraw/zinc/16/72/59/215167259.db2.gz DSYIYXZQOPAWPE-IRXDYDNUSA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@@H]1C ZINC000332524856 215167262 /nfs/dbraw/zinc/16/72/62/215167262.db2.gz DSYIYXZQOPAWPE-IRXDYDNUSA-N 2 2 373.501 0.980 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC000332543719 215175094 /nfs/dbraw/zinc/17/50/94/215175094.db2.gz YQXNSEQAOYFLQK-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[C@H]1[NH3+] ZINC000332543719 215175098 /nfs/dbraw/zinc/17/50/98/215175098.db2.gz YQXNSEQAOYFLQK-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000332539650 215174081 /nfs/dbraw/zinc/17/40/81/215174081.db2.gz ZVWBVCWMEWPCGU-MRXNPFEDSA-N 2 2 359.474 0.591 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332541274 215174410 /nfs/dbraw/zinc/17/44/10/215174410.db2.gz KZDHEXYIIIXERF-GASCZTMLSA-N 2 2 360.458 0.969 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000332581069 215184526 /nfs/dbraw/zinc/18/45/26/215184526.db2.gz FSOAKVOHGISXOM-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000332581069 215184527 /nfs/dbraw/zinc/18/45/27/215184527.db2.gz FSOAKVOHGISXOM-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@H]1C ZINC000332581069 215184528 /nfs/dbraw/zinc/18/45/28/215184528.db2.gz FSOAKVOHGISXOM-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@H]1C ZINC000332581069 215184529 /nfs/dbraw/zinc/18/45/29/215184529.db2.gz FSOAKVOHGISXOM-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332665247 215200978 /nfs/dbraw/zinc/20/09/78/215200978.db2.gz PAENFFXAZMWKNN-TWMKSMIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332665247 215200983 /nfs/dbraw/zinc/20/09/83/215200983.db2.gz PAENFFXAZMWKNN-TWMKSMIVSA-N 2 2 366.506 0.107 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NC(=O)NC3CC3)CCC[NH+]2C)cn1 ZINC000333108968 215236766 /nfs/dbraw/zinc/23/67/66/215236766.db2.gz FBJXEBZUTYZNOT-SUMWQHHRSA-N 2 2 362.478 0.723 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NC(=O)NC3CC3)CCC[N@@H+]2C)cn1 ZINC000333108968 215236770 /nfs/dbraw/zinc/23/67/70/215236770.db2.gz FBJXEBZUTYZNOT-SUMWQHHRSA-N 2 2 362.478 0.723 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NC(=O)NC3CC3)CCC[N@H+]2C)cn1 ZINC000333108968 215236774 /nfs/dbraw/zinc/23/67/74/215236774.db2.gz FBJXEBZUTYZNOT-SUMWQHHRSA-N 2 2 362.478 0.723 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC000333164860 215245981 /nfs/dbraw/zinc/24/59/81/215245981.db2.gz HCGYLTLBJJVLEH-RRFJBIMHSA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH+]cn1 ZINC000333164860 215245983 /nfs/dbraw/zinc/24/59/83/215245983.db2.gz HCGYLTLBJJVLEH-RRFJBIMHSA-N 2 2 359.478 0.738 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCN1C ZINC000333204018 215250235 /nfs/dbraw/zinc/25/02/35/215250235.db2.gz BKVMIIYMEBZZAO-SJORKVTESA-N 2 2 361.490 0.879 20 0 FCADLP C[C@@H]1CSC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000333384447 215273315 /nfs/dbraw/zinc/27/33/15/215273315.db2.gz BQAJRKXBGUBZOP-HUUCEWRRSA-N 2 2 370.544 0.875 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)N1CCCC1 ZINC000333397386 215275074 /nfs/dbraw/zinc/27/50/74/215275074.db2.gz DOEWKMUQVGEKJD-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)N1CCCC1 ZINC000333397386 215275077 /nfs/dbraw/zinc/27/50/77/215275077.db2.gz DOEWKMUQVGEKJD-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333590771 215299203 /nfs/dbraw/zinc/29/92/03/215299203.db2.gz VDGFHPQVBRMKDN-GVDBMIGSSA-N 2 2 365.522 0.570 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000333743490 215315211 /nfs/dbraw/zinc/31/52/11/215315211.db2.gz XYSKICPSPKSJLS-MRXNPFEDSA-N 2 2 363.506 0.634 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](CO)OC(C)(C)C3)CC2)CC1 ZINC000333746699 215315249 /nfs/dbraw/zinc/31/52/49/215315249.db2.gz NCKHAWKUDCZDHQ-QGZVFWFLSA-N 2 2 368.522 0.726 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333846969 215324404 /nfs/dbraw/zinc/32/44/04/215324404.db2.gz PHQSFOQUCDYLPA-SFHVURJKSA-N 2 2 372.477 0.585 20 0 FCADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000333874257 215327373 /nfs/dbraw/zinc/32/73/73/215327373.db2.gz CGQBOBRRRWYEEE-CVEARBPZSA-N 2 2 373.501 0.966 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000333952148 215333388 /nfs/dbraw/zinc/33/33/88/215333388.db2.gz ZRZCRNYLTHSWPV-OAHLLOKOSA-N 2 2 355.508 0.863 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000333952148 215333391 /nfs/dbraw/zinc/33/33/91/215333391.db2.gz ZRZCRNYLTHSWPV-OAHLLOKOSA-N 2 2 355.508 0.863 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000285803076 213399066 /nfs/dbraw/zinc/39/90/66/213399066.db2.gz YGBVCVVPCFSUOD-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000285803076 213399068 /nfs/dbraw/zinc/39/90/68/213399068.db2.gz YGBVCVVPCFSUOD-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C[C@H](C)O1 ZINC000334056054 215340144 /nfs/dbraw/zinc/34/01/44/215340144.db2.gz VILNHBWNOSQZEO-JONQDZQNSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C[C@H](C)O1 ZINC000334056054 215340148 /nfs/dbraw/zinc/34/01/48/215340148.db2.gz VILNHBWNOSQZEO-JONQDZQNSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092243 215343677 /nfs/dbraw/zinc/34/36/77/215343677.db2.gz OLKZGVCYFAUVMB-RBSFLKMASA-N 2 2 360.462 0.837 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092243 215343680 /nfs/dbraw/zinc/34/36/80/215343680.db2.gz OLKZGVCYFAUVMB-RBSFLKMASA-N 2 2 360.462 0.837 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285641899 213370014 /nfs/dbraw/zinc/37/00/14/213370014.db2.gz XSUCBNQDWJMKTN-SJPCQFCGSA-N 2 2 374.485 0.724 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285641899 213370016 /nfs/dbraw/zinc/37/00/16/213370016.db2.gz XSUCBNQDWJMKTN-SJPCQFCGSA-N 2 2 374.485 0.724 20 0 FCADLP C[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285641899 213370018 /nfs/dbraw/zinc/37/00/18/213370018.db2.gz XSUCBNQDWJMKTN-SJPCQFCGSA-N 2 2 374.485 0.724 20 0 FCADLP C[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285641899 213370019 /nfs/dbraw/zinc/37/00/19/213370019.db2.gz XSUCBNQDWJMKTN-SJPCQFCGSA-N 2 2 374.485 0.724 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000285588259 213362608 /nfs/dbraw/zinc/36/26/08/213362608.db2.gz KZBUQEYKLRNSFU-INIZCTEOSA-N 2 2 365.478 0.205 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000285516931 213351338 /nfs/dbraw/zinc/35/13/38/213351338.db2.gz OIUCTZBAMVJISD-HOCLYGCPSA-N 2 2 355.442 0.812 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000285516931 213351341 /nfs/dbraw/zinc/35/13/41/213351341.db2.gz OIUCTZBAMVJISD-HOCLYGCPSA-N 2 2 355.442 0.812 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000361491228 215395623 /nfs/dbraw/zinc/39/56/23/215395623.db2.gz RLNCCQZCPBIKOL-MRXNPFEDSA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000361491228 215395626 /nfs/dbraw/zinc/39/56/26/215395626.db2.gz RLNCCQZCPBIKOL-MRXNPFEDSA-N 2 2 367.490 0.442 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137453 213291244 /nfs/dbraw/zinc/29/12/44/213291244.db2.gz SAUKRKQSVUIHAA-IAGOWNOFSA-N 2 2 373.501 0.967 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137453 213291246 /nfs/dbraw/zinc/29/12/46/213291246.db2.gz SAUKRKQSVUIHAA-IAGOWNOFSA-N 2 2 373.501 0.967 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000285065223 213277049 /nfs/dbraw/zinc/27/70/49/213277049.db2.gz JAYRUNPHMRWKIY-HLLBOEOZSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000285065223 213277052 /nfs/dbraw/zinc/27/70/52/213277052.db2.gz JAYRUNPHMRWKIY-HLLBOEOZSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284970699 213258662 /nfs/dbraw/zinc/25/86/62/213258662.db2.gz KPUTZCADCBIPGQ-CYBMUJFWSA-N 2 2 352.504 0.679 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284970699 213258666 /nfs/dbraw/zinc/25/86/66/213258666.db2.gz KPUTZCADCBIPGQ-CYBMUJFWSA-N 2 2 352.504 0.679 20 0 FCADLP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000284842216 213232301 /nfs/dbraw/zinc/23/23/01/213232301.db2.gz ZPSYCSRUSRYISU-UHFFFAOYSA-N 2 2 363.462 0.228 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c[nH+]1 ZINC000284739665 213210658 /nfs/dbraw/zinc/21/06/58/213210658.db2.gz ZWEVSHPNRISNFZ-JKSUJKDBSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c[nH+]1 ZINC000284739665 213210659 /nfs/dbraw/zinc/21/06/59/213210659.db2.gz ZWEVSHPNRISNFZ-JKSUJKDBSA-N 2 2 359.474 0.707 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000931125129 674094240 /nfs/dbraw/zinc/09/42/40/674094240.db2.gz CLEONOCMHQKVRR-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000931125129 674094241 /nfs/dbraw/zinc/09/42/41/674094241.db2.gz CLEONOCMHQKVRR-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccco1 ZINC000284573323 213170662 /nfs/dbraw/zinc/17/06/62/213170662.db2.gz WCHHHOFBEKYPDL-AWEZNQCLSA-N 2 2 366.462 0.226 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccco1 ZINC000284573323 213170664 /nfs/dbraw/zinc/17/06/64/213170664.db2.gz WCHHHOFBEKYPDL-AWEZNQCLSA-N 2 2 366.462 0.226 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@@H]2C1 ZINC000284562368 213169447 /nfs/dbraw/zinc/16/94/47/213169447.db2.gz UHZKPNPCPGCHQW-IAGOWNOFSA-N 2 2 371.485 0.851 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@@H]2C1 ZINC000284562368 213169449 /nfs/dbraw/zinc/16/94/49/213169449.db2.gz UHZKPNPCPGCHQW-IAGOWNOFSA-N 2 2 371.485 0.851 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCOCC1 ZINC000284535815 213163143 /nfs/dbraw/zinc/16/31/43/213163143.db2.gz UPCAUBNXQDTOAH-RRFJBIMHSA-N 2 2 366.462 0.224 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284484218 213150557 /nfs/dbraw/zinc/15/05/57/213150557.db2.gz RLVTXOJRKSANSD-LSDHHAIUSA-N 2 2 366.462 0.178 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417723 213135237 /nfs/dbraw/zinc/13/52/37/213135237.db2.gz XQMSPGFXRPDTCQ-LSDHHAIUSA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417723 213135239 /nfs/dbraw/zinc/13/52/39/213135239.db2.gz XQMSPGFXRPDTCQ-LSDHHAIUSA-N 2 2 368.503 0.304 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288926 213105191 /nfs/dbraw/zinc/10/51/91/213105191.db2.gz MLZPGPRIJGHMIN-HOTGVXAUSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288926 213105194 /nfs/dbraw/zinc/10/51/94/213105194.db2.gz MLZPGPRIJGHMIN-HOTGVXAUSA-N 2 2 357.458 0.473 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000284285231 213103615 /nfs/dbraw/zinc/10/36/15/213103615.db2.gz NPZTVQUZCVVUTD-HIFRSBDPSA-N 2 2 368.503 0.304 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000284168088 213090584 /nfs/dbraw/zinc/09/05/84/213090584.db2.gz SQRYFMADYBOFFB-INIZCTEOSA-N 2 2 353.492 0.285 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000283999837 213052679 /nfs/dbraw/zinc/05/26/79/213052679.db2.gz QBPDNZCDAYQMPJ-NVXWUHKLSA-N 2 2 355.442 0.903 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000283999837 213052683 /nfs/dbraw/zinc/05/26/83/213052683.db2.gz QBPDNZCDAYQMPJ-NVXWUHKLSA-N 2 2 355.442 0.903 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000283933140 213037775 /nfs/dbraw/zinc/03/77/75/213037775.db2.gz NIDRPYTWHLBWPO-XJKSGUPXSA-N 2 2 361.421 0.946 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000365403967 215825502 /nfs/dbraw/zinc/82/55/02/215825502.db2.gz IKUQRFLHZIUMBL-UHFFFAOYSA-N 2 2 362.478 0.525 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411949340 237119742 /nfs/dbraw/zinc/11/97/42/237119742.db2.gz VNBPOZBSRXMSKN-INIZCTEOSA-N 2 2 359.474 0.530 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411949340 237119750 /nfs/dbraw/zinc/11/97/50/237119750.db2.gz VNBPOZBSRXMSKN-INIZCTEOSA-N 2 2 359.474 0.530 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411904410 237094923 /nfs/dbraw/zinc/09/49/23/237094923.db2.gz AAWOHDVOXAHYTB-HOTGVXAUSA-N 2 2 353.488 0.474 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411904410 237094929 /nfs/dbraw/zinc/09/49/29/237094929.db2.gz AAWOHDVOXAHYTB-HOTGVXAUSA-N 2 2 353.488 0.474 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)CC2)c1 ZINC000412056898 237153023 /nfs/dbraw/zinc/15/30/23/237153023.db2.gz VKLYLEXVOYYDPD-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@@H](CO)C3)CC2)c1 ZINC000412056898 237153030 /nfs/dbraw/zinc/15/30/30/237153030.db2.gz VKLYLEXVOYYDPD-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000366729573 216023687 /nfs/dbraw/zinc/02/36/87/216023687.db2.gz WVHUKPJMGDQKAC-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000366729573 216023691 /nfs/dbraw/zinc/02/36/91/216023691.db2.gz WVHUKPJMGDQKAC-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000366729573 216023696 /nfs/dbraw/zinc/02/36/96/216023696.db2.gz WVHUKPJMGDQKAC-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000366729573 216023700 /nfs/dbraw/zinc/02/37/00/216023700.db2.gz WVHUKPJMGDQKAC-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732975 216024047 /nfs/dbraw/zinc/02/40/47/216024047.db2.gz YOVALNXZQMTAAB-MRXNPFEDSA-N 2 2 361.490 0.998 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732975 216024050 /nfs/dbraw/zinc/02/40/50/216024050.db2.gz YOVALNXZQMTAAB-MRXNPFEDSA-N 2 2 361.490 0.998 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000413141271 237284919 /nfs/dbraw/zinc/28/49/19/237284919.db2.gz PJWLMTAUGJGJPW-UHFFFAOYSA-N 2 2 353.467 0.570 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)nc[nH+]2)C1 ZINC000413250117 237301993 /nfs/dbraw/zinc/30/19/93/237301993.db2.gz QUPLZGIZHUVYHA-PMPSAXMXSA-N 2 2 363.506 0.965 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)nc[nH+]2)C1 ZINC000413250117 237301997 /nfs/dbraw/zinc/30/19/97/237301997.db2.gz QUPLZGIZHUVYHA-PMPSAXMXSA-N 2 2 363.506 0.965 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865639 216043733 /nfs/dbraw/zinc/04/37/33/216043733.db2.gz DFEMOIRADQXKJI-GJZGRUSLSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865639 216043736 /nfs/dbraw/zinc/04/37/36/216043736.db2.gz DFEMOIRADQXKJI-GJZGRUSLSA-N 2 2 357.520 0.486 20 0 FCADLP Cc1nn(C)c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000367038019 216067654 /nfs/dbraw/zinc/06/76/54/216067654.db2.gz NUMSZEUAGVIDGS-INIZCTEOSA-N 2 2 361.490 0.638 20 0 FCADLP Cc1nn(C)c(=O)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000367038019 216067656 /nfs/dbraw/zinc/06/76/56/216067656.db2.gz NUMSZEUAGVIDGS-INIZCTEOSA-N 2 2 361.490 0.638 20 0 FCADLP Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262307297 209565164 /nfs/dbraw/zinc/56/51/64/209565164.db2.gz YLXLRJQXDLKZDG-ZIAGYGMSSA-N 2 2 365.503 0.970 20 0 FCADLP Cc1csc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262307297 209565168 /nfs/dbraw/zinc/56/51/68/209565168.db2.gz YLXLRJQXDLKZDG-ZIAGYGMSSA-N 2 2 365.503 0.970 20 0 FCADLP C[C@@](O)(CNC(=O)NCc1c[nH+]c2n1CCCC2)C[NH+]1CCOCC1 ZINC000367578237 216139311 /nfs/dbraw/zinc/13/93/11/216139311.db2.gz GIIANTQVNGBSSO-QGZVFWFLSA-N 2 2 351.451 0.102 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000246740286 209397301 /nfs/dbraw/zinc/39/73/01/209397301.db2.gz KNKJJRPIYLQNLJ-YESZJQIVSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000245415826 209368220 /nfs/dbraw/zinc/36/82/20/209368220.db2.gz DOJIHVWPGJUSFU-SJORKVTESA-N 2 2 361.490 0.117 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000245415826 209368223 /nfs/dbraw/zinc/36/82/23/209368223.db2.gz DOJIHVWPGJUSFU-SJORKVTESA-N 2 2 361.490 0.117 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246146177 209380156 /nfs/dbraw/zinc/38/01/56/209380156.db2.gz FDTCQUNASLBCHJ-ROUUACIJSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246146177 209380160 /nfs/dbraw/zinc/38/01/60/209380160.db2.gz FDTCQUNASLBCHJ-ROUUACIJSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245607050 209372987 /nfs/dbraw/zinc/37/29/87/209372987.db2.gz KFZDJYWGZVABTM-DZGCQCFKSA-N 2 2 352.464 0.478 20 0 FCADLP C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245607050 209372988 /nfs/dbraw/zinc/37/29/88/209372988.db2.gz KFZDJYWGZVABTM-DZGCQCFKSA-N 2 2 352.464 0.478 20 0 FCADLP C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245607053 209372584 /nfs/dbraw/zinc/37/25/84/209372584.db2.gz KFZDJYWGZVABTM-UKRRQHHQSA-N 2 2 352.464 0.478 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245607053 209372585 /nfs/dbraw/zinc/37/25/85/209372585.db2.gz KFZDJYWGZVABTM-UKRRQHHQSA-N 2 2 352.464 0.478 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237652074 209355699 /nfs/dbraw/zinc/35/56/99/209355699.db2.gz ZCKRTFPFCPIQRS-SJORKVTESA-N 2 2 362.518 0.921 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237332365 209350411 /nfs/dbraw/zinc/35/04/11/209350411.db2.gz YPAQVKJJNCGUKX-INIZCTEOSA-N 2 2 359.536 0.863 20 0 FCADLP CNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000237156615 209348004 /nfs/dbraw/zinc/34/80/04/209348004.db2.gz PTFKOYJGQWVHRN-WMZOPIPTSA-N 2 2 369.469 0.786 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c2)CC1 ZINC000237139794 209347597 /nfs/dbraw/zinc/34/75/97/209347597.db2.gz VSDHDXMQFXUVHJ-OAHLLOKOSA-N 2 2 368.503 0.935 20 0 FCADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268561 209334426 /nfs/dbraw/zinc/33/44/26/209334426.db2.gz UNGQVCFNWCZIDI-CQSZACIVSA-N 2 2 365.503 0.164 20 0 FCADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268561 209334427 /nfs/dbraw/zinc/33/44/27/209334427.db2.gz UNGQVCFNWCZIDI-CQSZACIVSA-N 2 2 365.503 0.164 20 0 FCADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268561 209334432 /nfs/dbraw/zinc/33/44/32/209334432.db2.gz UNGQVCFNWCZIDI-CQSZACIVSA-N 2 2 365.503 0.164 20 0 FCADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268561 209334434 /nfs/dbraw/zinc/33/44/34/209334434.db2.gz UNGQVCFNWCZIDI-CQSZACIVSA-N 2 2 365.503 0.164 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195297935 209334145 /nfs/dbraw/zinc/33/41/45/209334145.db2.gz QYNHREDGHJFPBC-LJQANCHMSA-N 2 2 373.501 0.526 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195297935 209334149 /nfs/dbraw/zinc/33/41/49/209334149.db2.gz QYNHREDGHJFPBC-LJQANCHMSA-N 2 2 373.501 0.526 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195297935 209334152 /nfs/dbraw/zinc/33/41/52/209334152.db2.gz QYNHREDGHJFPBC-LJQANCHMSA-N 2 2 373.501 0.526 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195297935 209334154 /nfs/dbraw/zinc/33/41/54/209334154.db2.gz QYNHREDGHJFPBC-LJQANCHMSA-N 2 2 373.501 0.526 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000194949578 209330616 /nfs/dbraw/zinc/33/06/16/209330616.db2.gz PJCKAHRJJOWTNX-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000194949578 209330619 /nfs/dbraw/zinc/33/06/19/209330619.db2.gz PJCKAHRJJOWTNX-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000194949578 209330622 /nfs/dbraw/zinc/33/06/22/209330622.db2.gz PJCKAHRJJOWTNX-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000194949578 209330626 /nfs/dbraw/zinc/33/06/26/209330626.db2.gz PJCKAHRJJOWTNX-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1F ZINC000192686745 209302214 /nfs/dbraw/zinc/30/22/14/209302214.db2.gz LHKNYPHZEZUQSR-HNNXBMFYSA-N 2 2 351.422 0.857 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@@H]1CC ZINC000368656227 216276140 /nfs/dbraw/zinc/27/61/40/216276140.db2.gz VATJUKPNHDQNIH-HMQMGEFJSA-N 2 2 351.491 0.760 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@@H]1CC ZINC000368656227 216276143 /nfs/dbraw/zinc/27/61/43/216276143.db2.gz VATJUKPNHDQNIH-HMQMGEFJSA-N 2 2 351.491 0.760 20 0 FCADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000368679320 216280157 /nfs/dbraw/zinc/28/01/57/216280157.db2.gz AZCDBLLNQAMPMN-IRXDYDNUSA-N 2 2 353.507 0.650 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000192114075 209295514 /nfs/dbraw/zinc/29/55/14/209295514.db2.gz OYXDDLJYBKXUOR-CABCVRRESA-N 2 2 362.474 0.553 20 0 FCADLP C[NH+]1CCC(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000368885709 216314095 /nfs/dbraw/zinc/31/40/95/216314095.db2.gz ORSWSOXCPJWNHH-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368906240 216316275 /nfs/dbraw/zinc/31/62/75/216316275.db2.gz ZHSJSTZGMCOKQF-MRXNPFEDSA-N 2 2 360.524 0.072 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368906240 216316278 /nfs/dbraw/zinc/31/62/78/216316278.db2.gz ZHSJSTZGMCOKQF-MRXNPFEDSA-N 2 2 360.524 0.072 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000368980457 216329136 /nfs/dbraw/zinc/32/91/36/216329136.db2.gz GSLOOAFAGMONSB-ZWKOTPCHSA-N 2 2 367.538 0.253 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000369153803 216354844 /nfs/dbraw/zinc/35/48/44/216354844.db2.gz SBUVQSKCYHMAJQ-SJLPKXTDSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000369153803 216354847 /nfs/dbraw/zinc/35/48/47/216354847.db2.gz SBUVQSKCYHMAJQ-SJLPKXTDSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000369265472 216373088 /nfs/dbraw/zinc/37/30/88/216373088.db2.gz HEPHNQPQTCZJOA-OAHLLOKOSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000369265472 216373092 /nfs/dbraw/zinc/37/30/92/216373092.db2.gz HEPHNQPQTCZJOA-OAHLLOKOSA-N 2 2 360.458 0.449 20 0 FCADLP Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375831 216391951 /nfs/dbraw/zinc/39/19/51/216391951.db2.gz ZDPNVJYMSXYNIB-HUUCEWRRSA-N 2 2 361.494 0.369 20 0 FCADLP Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375831 216391953 /nfs/dbraw/zinc/39/19/53/216391953.db2.gz ZDPNVJYMSXYNIB-HUUCEWRRSA-N 2 2 361.494 0.369 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000190377491 209270367 /nfs/dbraw/zinc/27/03/67/209270367.db2.gz DSWFCIYXMPRWSX-QGZVFWFLSA-N 2 2 374.551 0.037 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374410 216392290 /nfs/dbraw/zinc/39/22/90/216392290.db2.gz SEPAFKSKYASYKS-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[NH+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374410 216392292 /nfs/dbraw/zinc/39/22/92/216392292.db2.gz SEPAFKSKYASYKS-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374410 216392295 /nfs/dbraw/zinc/39/22/95/216392295.db2.gz SEPAFKSKYASYKS-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374410 216392297 /nfs/dbraw/zinc/39/22/97/216392297.db2.gz SEPAFKSKYASYKS-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343385 216387409 /nfs/dbraw/zinc/38/74/09/216387409.db2.gz CRVVOOLTUBSYQP-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343385 216387411 /nfs/dbraw/zinc/38/74/11/216387411.db2.gz CRVVOOLTUBSYQP-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C4OCCO4)C3)C2)CC1 ZINC000369362957 216389605 /nfs/dbraw/zinc/38/96/05/216389605.db2.gz IHKOPUOSUCIXDP-JKSUJKDBSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C4OCCO4)C3)C2)CC1 ZINC000369362957 216389608 /nfs/dbraw/zinc/38/96/08/216389608.db2.gz IHKOPUOSUCIXDP-JKSUJKDBSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(=O)N3CCCCC3)C2)CC1 ZINC000369388033 216394159 /nfs/dbraw/zinc/39/41/59/216394159.db2.gz RJGYNONRMYXTOS-OAHLLOKOSA-N 2 2 351.495 0.467 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(=O)N3CCCCC3)C2)CC1 ZINC000369388033 216394160 /nfs/dbraw/zinc/39/41/60/216394160.db2.gz RJGYNONRMYXTOS-OAHLLOKOSA-N 2 2 351.495 0.467 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000188961372 209243794 /nfs/dbraw/zinc/24/37/94/209243794.db2.gz GOVUQRKFIKNQSS-UHFFFAOYSA-N 2 2 358.486 0.667 20 0 FCADLP O=C(C[N@@H+]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCCC1 ZINC000277646306 212383794 /nfs/dbraw/zinc/38/37/94/212383794.db2.gz YAJQZCWTDQDUQJ-UHFFFAOYSA-N 2 2 374.489 0.448 20 0 FCADLP O=C(C[N@H+]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCCC1 ZINC000277646306 212383797 /nfs/dbraw/zinc/38/37/97/212383797.db2.gz YAJQZCWTDQDUQJ-UHFFFAOYSA-N 2 2 374.489 0.448 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000277089947 212328022 /nfs/dbraw/zinc/32/80/22/212328022.db2.gz UBYIDQDDTXLODN-MRXNPFEDSA-N 2 2 370.457 0.969 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000186960440 209201194 /nfs/dbraw/zinc/20/11/94/209201194.db2.gz LOHXSMPKXKCALP-UHFFFAOYSA-N 2 2 369.473 0.888 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCCC3(CC3)C2)CC1 ZINC000186960440 209201198 /nfs/dbraw/zinc/20/11/98/209201198.db2.gz LOHXSMPKXKCALP-UHFFFAOYSA-N 2 2 369.473 0.888 20 0 FCADLP O=C(CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000372436083 216881883 /nfs/dbraw/zinc/88/18/83/216881883.db2.gz HMNQSQLHAWZOLO-KXBFYZLASA-N 2 2 357.458 0.236 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2c[nH+]ccc2N)CC1 ZINC000275731074 212081803 /nfs/dbraw/zinc/08/18/03/212081803.db2.gz XSGMVSBKOBAFIP-UHFFFAOYSA-N 2 2 354.414 0.691 20 0 FCADLP C[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707896 212077005 /nfs/dbraw/zinc/07/70/05/212077005.db2.gz NYOATOBVQAUOAV-KBPBESRZSA-N 2 2 364.519 0.529 20 0 FCADLP C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707896 212077007 /nfs/dbraw/zinc/07/70/07/212077007.db2.gz NYOATOBVQAUOAV-KBPBESRZSA-N 2 2 364.519 0.529 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC000275440524 212027527 /nfs/dbraw/zinc/02/75/27/212027527.db2.gz FVBKDEVLELYWLT-UHFFFAOYSA-N 2 2 359.478 0.908 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC000275440524 212027529 /nfs/dbraw/zinc/02/75/29/212027529.db2.gz FVBKDEVLELYWLT-UHFFFAOYSA-N 2 2 359.478 0.908 20 0 FCADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000414750604 245319531 /nfs/dbraw/zinc/31/95/31/245319531.db2.gz YHZBTDVKEPJLFN-INIZCTEOSA-N 2 2 362.449 0.667 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000415082726 245344738 /nfs/dbraw/zinc/34/47/38/245344738.db2.gz ORKVWTYSSKKEDB-GOSISDBHSA-N 2 2 372.469 0.594 20 0 FCADLP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000415187968 245355226 /nfs/dbraw/zinc/35/52/26/245355226.db2.gz NAHNWZUSNWYZOU-MRXNPFEDSA-N 2 2 362.474 0.962 20 0 FCADLP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000415187968 245355235 /nfs/dbraw/zinc/35/52/35/245355235.db2.gz NAHNWZUSNWYZOU-MRXNPFEDSA-N 2 2 362.474 0.962 20 0 FCADLP C[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000415237024 245365859 /nfs/dbraw/zinc/36/58/59/245365859.db2.gz HKRHTIONBWMAHY-GOEBONIOSA-N 2 2 350.467 0.806 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000415243632 245367198 /nfs/dbraw/zinc/36/71/98/245367198.db2.gz WMGAMZYDMJQWNV-JJRVBVJISA-N 2 2 360.458 0.966 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000415344494 245391900 /nfs/dbraw/zinc/39/19/00/245391900.db2.gz NQEOJOSLXJWNKJ-GJZGRUSLSA-N 2 2 360.458 0.839 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH+](CCO)CC3)c2)CC1 ZINC000184909532 209168859 /nfs/dbraw/zinc/16/88/59/209168859.db2.gz BHXSUCPKTJZJMO-UHFFFAOYSA-N 2 2 361.490 0.970 20 0 FCADLP CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCNC1=O ZINC000374135964 217099903 /nfs/dbraw/zinc/09/99/03/217099903.db2.gz GIPXDKXKAGFZIR-MRXNPFEDSA-N 2 2 366.506 0.348 20 0 FCADLP CC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCNC1=O ZINC000374135964 217099905 /nfs/dbraw/zinc/09/99/05/217099905.db2.gz GIPXDKXKAGFZIR-MRXNPFEDSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000375000404 217201899 /nfs/dbraw/zinc/20/18/99/217201899.db2.gz WKUJSVYYKQKJRQ-INIZCTEOSA-N 2 2 365.518 0.935 20 0 FCADLP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374997232 217201922 /nfs/dbraw/zinc/20/19/22/217201922.db2.gz JHOMSOGSEMRIAM-IRXDYDNUSA-N 2 2 353.507 0.935 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4cc(F)ccc43)C2)CC1 ZINC000375004619 217204259 /nfs/dbraw/zinc/20/42/59/217204259.db2.gz ZGJWIHNJCDURQX-INIZCTEOSA-N 2 2 374.460 1.000 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4cc(F)ccc43)C2)CC1 ZINC000375004619 217204261 /nfs/dbraw/zinc/20/42/61/217204261.db2.gz ZGJWIHNJCDURQX-INIZCTEOSA-N 2 2 374.460 1.000 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000375020107 217206697 /nfs/dbraw/zinc/20/66/97/217206697.db2.gz WTGKZBWIOKIVHC-IAGOWNOFSA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000375020107 217206698 /nfs/dbraw/zinc/20/66/98/217206698.db2.gz WTGKZBWIOKIVHC-IAGOWNOFSA-N 2 2 365.522 0.807 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000182965301 209138446 /nfs/dbraw/zinc/13/84/46/209138446.db2.gz HQBMFQAWBOBHON-LJQANCHMSA-N 2 2 361.486 0.975 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375725489 217303090 /nfs/dbraw/zinc/30/30/90/217303090.db2.gz CYPHQDWTQNZGEF-SFHVURJKSA-N 2 2 366.531 0.952 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375725489 217303093 /nfs/dbraw/zinc/30/30/93/217303093.db2.gz CYPHQDWTQNZGEF-SFHVURJKSA-N 2 2 366.531 0.952 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375725485 217303819 /nfs/dbraw/zinc/30/38/19/217303819.db2.gz CYPHQDWTQNZGEF-GOSISDBHSA-N 2 2 366.531 0.952 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375725485 217303822 /nfs/dbraw/zinc/30/38/22/217303822.db2.gz CYPHQDWTQNZGEF-GOSISDBHSA-N 2 2 366.531 0.952 20 0 FCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000417211438 245677569 /nfs/dbraw/zinc/67/75/69/245677569.db2.gz DSHMXDGPGZWWTN-JOYOIKCWSA-N 2 2 368.235 0.476 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000375736681 217305989 /nfs/dbraw/zinc/30/59/89/217305989.db2.gz QUAFEOUPWHPROY-RRFJBIMHSA-N 2 2 352.479 0.796 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000375736681 217305991 /nfs/dbraw/zinc/30/59/91/217305991.db2.gz QUAFEOUPWHPROY-RRFJBIMHSA-N 2 2 352.479 0.796 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375805738 217319825 /nfs/dbraw/zinc/31/98/25/217319825.db2.gz NIRWQMSAPSYCKW-CVEARBPZSA-N 2 2 368.478 0.130 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000376017358 217345653 /nfs/dbraw/zinc/34/56/53/217345653.db2.gz CQXKPGBTZAVCQO-BZSNNMDCSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000376017358 217345659 /nfs/dbraw/zinc/34/56/59/217345659.db2.gz CQXKPGBTZAVCQO-BZSNNMDCSA-N 2 2 351.491 0.687 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000376135309 217360098 /nfs/dbraw/zinc/36/00/98/217360098.db2.gz SGIUCSXAYOHXED-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000376135309 217360101 /nfs/dbraw/zinc/36/01/01/217360101.db2.gz SGIUCSXAYOHXED-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CCCC1 ZINC000418630276 245809294 /nfs/dbraw/zinc/80/92/94/245809294.db2.gz WZAGXACKNVAEHD-INIZCTEOSA-N 2 2 351.495 0.454 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434747 217399355 /nfs/dbraw/zinc/39/93/55/217399355.db2.gz JGUCBDZDYNCVLJ-IAGOWNOFSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)Nc1nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc(NCCO)[nH+]1 ZINC000376403980 217394861 /nfs/dbraw/zinc/39/48/61/217394861.db2.gz SMJFBRRJXLKTLD-HNNXBMFYSA-N 2 2 363.510 0.108 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000376403980 217394862 /nfs/dbraw/zinc/39/48/62/217394862.db2.gz SMJFBRRJXLKTLD-HNNXBMFYSA-N 2 2 363.510 0.108 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000376403980 217394864 /nfs/dbraw/zinc/39/48/64/217394864.db2.gz SMJFBRRJXLKTLD-HNNXBMFYSA-N 2 2 363.510 0.108 20 0 FCADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419132317 246006218 /nfs/dbraw/zinc/00/62/18/246006218.db2.gz DRQKZZDFVDNTIO-MRXNPFEDSA-N 2 2 355.442 0.610 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000419224008 246065588 /nfs/dbraw/zinc/06/55/88/246065588.db2.gz NATNRPAUYDYGNP-QGZVFWFLSA-N 2 2 357.458 0.323 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000419224008 246065592 /nfs/dbraw/zinc/06/55/92/246065592.db2.gz NATNRPAUYDYGNP-QGZVFWFLSA-N 2 2 357.458 0.323 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419231794 246071193 /nfs/dbraw/zinc/07/11/93/246071193.db2.gz KENNDQDOWAZHGU-MCIONIFRSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419231794 246071198 /nfs/dbraw/zinc/07/11/98/246071198.db2.gz KENNDQDOWAZHGU-MCIONIFRSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419246950 246075962 /nfs/dbraw/zinc/07/59/62/246075962.db2.gz WPXGZRURJJMWPD-GFCCVEGCSA-N 2 2 354.401 0.260 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419246950 246075967 /nfs/dbraw/zinc/07/59/67/246075967.db2.gz WPXGZRURJJMWPD-GFCCVEGCSA-N 2 2 354.401 0.260 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419248636 246076533 /nfs/dbraw/zinc/07/65/33/246076533.db2.gz XWWKMEKNYSAVLK-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2sccc2C1 ZINC000419248636 246076542 /nfs/dbraw/zinc/07/65/42/246076542.db2.gz XWWKMEKNYSAVLK-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419379965 246125257 /nfs/dbraw/zinc/12/52/57/246125257.db2.gz BFZVZEWHQIFJNA-CABCVRRESA-N 2 2 368.865 0.164 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419379965 246125261 /nfs/dbraw/zinc/12/52/61/246125261.db2.gz BFZVZEWHQIFJNA-CABCVRRESA-N 2 2 368.865 0.164 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000419411147 246144056 /nfs/dbraw/zinc/14/40/56/246144056.db2.gz POMWGQGSBDOJQV-KZNAEPCWSA-N 2 2 370.538 0.830 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419450710 246169765 /nfs/dbraw/zinc/16/97/65/246169765.db2.gz LZEGNJDCTMXYFT-DLBZAZTESA-N 2 2 373.501 0.134 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000419738827 246279087 /nfs/dbraw/zinc/27/90/87/246279087.db2.gz YUTWSACYBWSWCK-LSDHHAIUSA-N 2 2 359.474 0.671 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419871322 246338681 /nfs/dbraw/zinc/33/86/81/246338681.db2.gz CIBKOUIYVHTEMM-CQSZACIVSA-N 2 2 350.488 0.508 20 0 FCADLP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419847312 246319308 /nfs/dbraw/zinc/31/93/08/246319308.db2.gz STDBBKDZKVOUAF-DAXSKMNVSA-N 2 2 356.470 0.712 20 0 FCADLP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419857231 246325942 /nfs/dbraw/zinc/32/59/42/246325942.db2.gz ZLFYOQJTXOQXIA-UHFFFAOYSA-N 2 2 360.458 0.078 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419861788 246331417 /nfs/dbraw/zinc/33/14/17/246331417.db2.gz PVLVKSZRVLVYDM-NTPDMAOXSA-N 2 2 370.497 0.960 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000419865665 246334766 /nfs/dbraw/zinc/33/47/66/246334766.db2.gz ASWRPPMTTDYYOK-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000419865665 246334800 /nfs/dbraw/zinc/33/48/00/246334800.db2.gz ASWRPPMTTDYYOK-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419865395 246335411 /nfs/dbraw/zinc/33/54/11/246335411.db2.gz PDFZLSRFECPQQH-INIZCTEOSA-N 2 2 360.458 0.193 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000419868731 246337283 /nfs/dbraw/zinc/33/72/83/246337283.db2.gz IYRHKYSJHGRQKJ-IAGOWNOFSA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)cc1 ZINC000419920789 246369837 /nfs/dbraw/zinc/36/98/37/246369837.db2.gz GVIWVDKPZWKPJM-UHFFFAOYSA-N 2 2 360.458 0.065 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419876406 246344770 /nfs/dbraw/zinc/34/47/70/246344770.db2.gz PPSDZGFLDNSAKN-DLBZAZTESA-N 3 2 367.538 0.118 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419876406 246344776 /nfs/dbraw/zinc/34/47/76/246344776.db2.gz PPSDZGFLDNSAKN-DLBZAZTESA-N 3 2 367.538 0.118 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)s1 ZINC000419886278 246350656 /nfs/dbraw/zinc/35/06/56/246350656.db2.gz CANMUDQFKROUOI-AWEZNQCLSA-N 2 2 364.515 0.823 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419894607 246356369 /nfs/dbraw/zinc/35/63/69/246356369.db2.gz NURGBBSOYWESFP-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419905787 246362212 /nfs/dbraw/zinc/36/22/12/246362212.db2.gz WPEVGRZSIAQFEU-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000419953744 246385496 /nfs/dbraw/zinc/38/54/96/246385496.db2.gz LHAKBKIYFQTMQH-ZIAGYGMSSA-N 2 2 350.467 0.105 20 0 FCADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420352357 246549507 /nfs/dbraw/zinc/54/95/07/246549507.db2.gz MLEVFDIUQIKBCR-BBRMVZONSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420352357 246549512 /nfs/dbraw/zinc/54/95/12/246549512.db2.gz MLEVFDIUQIKBCR-BBRMVZONSA-N 2 2 351.447 0.619 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420376653 246553760 /nfs/dbraw/zinc/55/37/60/246553760.db2.gz VIXKKXIIEBSKGH-QBYUYEEZSA-N 2 2 362.474 0.929 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1S(N)(=O)=O ZINC000181091313 209107194 /nfs/dbraw/zinc/10/71/94/209107194.db2.gz SVQGEEMEZPEXJJ-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1S(N)(=O)=O ZINC000181091313 209107189 /nfs/dbraw/zinc/10/71/89/209107189.db2.gz SVQGEEMEZPEXJJ-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423390447 247018444 /nfs/dbraw/zinc/01/84/44/247018444.db2.gz WBIAXMSUIVUFSM-FUHWJXTLSA-N 2 2 372.469 0.909 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423307538 247001012 /nfs/dbraw/zinc/00/10/12/247001012.db2.gz HABFSCYONFOLPC-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423307538 247001016 /nfs/dbraw/zinc/00/10/16/247001016.db2.gz HABFSCYONFOLPC-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423307859 247001710 /nfs/dbraw/zinc/00/17/10/247001710.db2.gz HYLJYPBVYOFARI-BVBHFADKSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423307859 247001715 /nfs/dbraw/zinc/00/17/15/247001715.db2.gz HYLJYPBVYOFARI-BVBHFADKSA-N 2 2 370.497 0.915 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000423549596 247048670 /nfs/dbraw/zinc/04/86/70/247048670.db2.gz HVYUGJUMWCOTNA-DOTOQJQBSA-N 2 2 374.485 0.678 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000423549596 247048674 /nfs/dbraw/zinc/04/86/74/247048674.db2.gz HVYUGJUMWCOTNA-DOTOQJQBSA-N 2 2 374.485 0.678 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000423592095 247067091 /nfs/dbraw/zinc/06/70/91/247067091.db2.gz KIPIYUGQYIKCIP-RDJZCZTQSA-N 2 2 359.474 0.497 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423499406 247037373 /nfs/dbraw/zinc/03/73/73/247037373.db2.gz CLJXWGCTGUMXSI-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423499406 247037380 /nfs/dbraw/zinc/03/73/80/247037380.db2.gz CLJXWGCTGUMXSI-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423491390 247038026 /nfs/dbraw/zinc/03/80/26/247038026.db2.gz JMOMWCKSXZGKAG-RYQLBKOJSA-N 2 2 374.485 0.119 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685608 247108446 /nfs/dbraw/zinc/10/84/46/247108446.db2.gz SMQZKXNXMODNIP-FZKCQIBNSA-N 2 2 354.495 0.282 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685608 247108452 /nfs/dbraw/zinc/10/84/52/247108452.db2.gz SMQZKXNXMODNIP-FZKCQIBNSA-N 2 2 354.495 0.282 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423660317 247098849 /nfs/dbraw/zinc/09/88/49/247098849.db2.gz CGSYGYVMGJFAQJ-IAGOWNOFSA-N 2 2 358.486 0.835 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)[C@@H]1CC[NH2+]C1 ZINC000423667577 247103231 /nfs/dbraw/zinc/10/32/31/247103231.db2.gz ULVWJFFTSWYQGX-HUUCEWRRSA-N 2 2 362.478 0.215 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423673887 247104931 /nfs/dbraw/zinc/10/49/31/247104931.db2.gz OZTFOJXHJOHLSO-SJORKVTESA-N 2 2 374.485 0.405 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)[NH+]2CCOCC2)s1 ZINC000423768025 247138701 /nfs/dbraw/zinc/13/87/01/247138701.db2.gz ZNFBFHXSZVHKTH-LSDHHAIUSA-N 2 2 353.488 0.925 20 0 FCADLP Cc1ccc([C@H](CNC(=O)CCOC2C[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423760941 247140438 /nfs/dbraw/zinc/14/04/38/247140438.db2.gz QSEXUEBLSBIAIX-HNNXBMFYSA-N 2 2 353.488 0.925 20 0 FCADLP O=C(COC1C[NH2+]C1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423773712 247141256 /nfs/dbraw/zinc/14/12/56/247141256.db2.gz MINDSCMWUVQWQX-UHFFFAOYSA-N 2 2 355.442 0.505 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)c2coc(C[NH3+])c2)cc[nH+]1 ZINC000423926454 247151408 /nfs/dbraw/zinc/15/14/08/247151408.db2.gz PHIVMYITMUESAD-STQMWFEESA-N 2 2 362.409 0.941 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933765 247153295 /nfs/dbraw/zinc/15/32/95/247153295.db2.gz XBYGXNMEVZKAKK-CJNGLKHVSA-N 2 2 363.462 0.227 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]1C[NH3+] ZINC000423746561 247137398 /nfs/dbraw/zinc/13/73/98/247137398.db2.gz YBRAEGVPLPOSFL-ZBFHGGJFSA-N 2 2 364.515 0.978 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000423749608 247137596 /nfs/dbraw/zinc/13/75/96/247137596.db2.gz SWQLFQRNRJCYTP-MRXNPFEDSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000424262421 247191602 /nfs/dbraw/zinc/19/16/02/247191602.db2.gz DJVQCGWKPOXPAG-ZDUSSCGKSA-N 2 2 353.488 0.766 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424333168 247197669 /nfs/dbraw/zinc/19/76/69/247197669.db2.gz LNZLBZMUBGJAAV-HUUCEWRRSA-N 2 2 354.476 0.735 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424170992 247175537 /nfs/dbraw/zinc/17/55/37/247175537.db2.gz BNXGXFZSDIMSML-AWEZNQCLSA-N 2 2 355.433 0.993 20 0 FCADLP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC000424193906 247176199 /nfs/dbraw/zinc/17/61/99/247176199.db2.gz VMMFCCVMAHXMBG-KBPBESRZSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC000424193906 247176203 /nfs/dbraw/zinc/17/62/03/247176203.db2.gz VMMFCCVMAHXMBG-KBPBESRZSA-N 2 2 350.488 0.944 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)CC[NH2+]CC2 ZINC000424550724 247260155 /nfs/dbraw/zinc/26/01/55/247260155.db2.gz NMAMQIZUXVTYPQ-AWEZNQCLSA-N 2 2 359.474 0.754 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425386813 247330281 /nfs/dbraw/zinc/33/02/81/247330281.db2.gz MKUCDFDESYJANM-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425386813 247330284 /nfs/dbraw/zinc/33/02/84/247330284.db2.gz MKUCDFDESYJANM-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425408390 247338209 /nfs/dbraw/zinc/33/82/09/247338209.db2.gz XGLOQMJBJGPQND-UHFFFAOYSA-N 2 2 358.486 0.885 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)n1C ZINC000425361170 247325848 /nfs/dbraw/zinc/32/58/48/247325848.db2.gz TVGXAAGRZHBFIP-GOSISDBHSA-N 2 2 356.430 0.831 20 0 FCADLP O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000428039741 247568390 /nfs/dbraw/zinc/56/83/90/247568390.db2.gz GJNNSUPRLIXPHK-UXHICEINSA-N 2 2 372.513 0.819 20 0 FCADLP CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611301 248003785 /nfs/dbraw/zinc/00/37/85/248003785.db2.gz AFVQBMGRHRKOMY-AWEZNQCLSA-N 2 2 354.476 0.737 20 0 FCADLP CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611301 248003788 /nfs/dbraw/zinc/00/37/88/248003788.db2.gz AFVQBMGRHRKOMY-AWEZNQCLSA-N 2 2 354.476 0.737 20 0 FCADLP CCn1cc[nH+]c1CN(CCNS(C)(=O)=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435680498 248009288 /nfs/dbraw/zinc/00/92/88/248009288.db2.gz GJDPSJHCAOUVDS-CQSZACIVSA-N 2 2 355.508 0.396 20 0 FCADLP CCCNC(=O)NC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693653 248010051 /nfs/dbraw/zinc/01/00/51/248010051.db2.gz JRPLDRMECBUMGQ-CQSZACIVSA-N 2 2 362.478 0.600 20 0 FCADLP CCn1cc[nH+]c1CN(CCNS(=O)(=O)CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435691520 248011102 /nfs/dbraw/zinc/01/11/02/248011102.db2.gz GQGMLABLDIRJNS-HNNXBMFYSA-N 2 2 369.535 0.786 20 0 FCADLP O=C(N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436304091 248036847 /nfs/dbraw/zinc/03/68/47/248036847.db2.gz FOQVVAFCENUYLF-LVCYWYKZSA-N 2 2 373.497 0.960 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1([S@](C)=O)CCC1 ZINC000438592516 248089387 /nfs/dbraw/zinc/08/93/87/248089387.db2.gz QSSOAVGHZOIMJS-DEOSSOPVSA-N 2 2 358.552 0.955 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1([S@](C)=O)CCC1 ZINC000438592516 248089392 /nfs/dbraw/zinc/08/93/92/248089392.db2.gz QSSOAVGHZOIMJS-DEOSSOPVSA-N 2 2 358.552 0.955 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213529 248244039 /nfs/dbraw/zinc/24/40/39/248244039.db2.gz WJXOIWZYVWYVOK-ILXRZTDVSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213529 248244043 /nfs/dbraw/zinc/24/40/43/248244043.db2.gz WJXOIWZYVWYVOK-ILXRZTDVSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000441345770 248249988 /nfs/dbraw/zinc/24/99/88/248249988.db2.gz HPQXCBPESCRHOV-DNVCBOLYSA-N 2 2 374.485 0.249 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000442619473 248292650 /nfs/dbraw/zinc/29/26/50/248292650.db2.gz HSSPMZKMZZBTDB-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000442619473 248292654 /nfs/dbraw/zinc/29/26/54/248292654.db2.gz HSSPMZKMZZBTDB-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000442619473 248292656 /nfs/dbraw/zinc/29/26/56/248292656.db2.gz HSSPMZKMZZBTDB-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000442619473 248292660 /nfs/dbraw/zinc/29/26/60/248292660.db2.gz HSSPMZKMZZBTDB-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000444796660 248368866 /nfs/dbraw/zinc/36/88/66/248368866.db2.gz WGUJYVPQAHSFLR-DNVCBOLYSA-N 2 2 371.522 0.369 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1CCO ZINC000453689985 249354800 /nfs/dbraw/zinc/35/48/00/249354800.db2.gz AGUDDYNWISICSR-RDTXWAMCSA-N 2 2 374.485 0.699 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1CCO ZINC000453689985 249354808 /nfs/dbraw/zinc/35/48/08/249354808.db2.gz AGUDDYNWISICSR-RDTXWAMCSA-N 2 2 374.485 0.699 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000271274080 211368472 /nfs/dbraw/zinc/36/84/72/211368472.db2.gz OJPDAZSORSQTCA-UHFFFAOYSA-N 2 2 373.457 0.701 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000271170987 211349718 /nfs/dbraw/zinc/34/97/18/211349718.db2.gz XIJNGVBZUCEXIR-HZPDHXFCSA-N 2 2 362.474 0.891 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000270432461 211201649 /nfs/dbraw/zinc/20/16/49/211201649.db2.gz XAPIWVXUKRNYHH-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000472063591 250129819 /nfs/dbraw/zinc/12/98/19/250129819.db2.gz FUKLFKWPFVIJBX-MRXNPFEDSA-N 2 2 355.479 0.585 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817816 211087411 /nfs/dbraw/zinc/08/74/11/211087411.db2.gz BEAGTHXDVCUPFV-GJZGRUSLSA-N 2 2 360.462 0.299 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817816 211087416 /nfs/dbraw/zinc/08/74/16/211087416.db2.gz BEAGTHXDVCUPFV-GJZGRUSLSA-N 2 2 360.462 0.299 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000480917877 250296405 /nfs/dbraw/zinc/29/64/05/250296405.db2.gz PTJZYWWHVIDNMY-XHSDSOJGSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000480917877 250296413 /nfs/dbraw/zinc/29/64/13/250296413.db2.gz PTJZYWWHVIDNMY-XHSDSOJGSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000480937551 250298586 /nfs/dbraw/zinc/29/85/86/250298586.db2.gz OJOGUPXTJKFAHM-ZACQAIPSSA-N 2 2 368.522 0.260 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000480965554 250301851 /nfs/dbraw/zinc/30/18/51/250301851.db2.gz BIFYQBARNTUXFR-BRWVUGGUSA-N 2 2 368.522 0.260 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000481021117 250307976 /nfs/dbraw/zinc/30/79/76/250307976.db2.gz XPGWCWZNPMCLGF-CQSZACIVSA-N 2 2 371.416 0.981 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000481021117 250307981 /nfs/dbraw/zinc/30/79/81/250307981.db2.gz XPGWCWZNPMCLGF-CQSZACIVSA-N 2 2 371.416 0.981 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000481016673 250308123 /nfs/dbraw/zinc/30/81/23/250308123.db2.gz PWMZMCQTJAHORE-UHFFFAOYSA-N 2 2 365.478 0.643 20 0 FCADLP Cc1cccc(N2CCC(NC(=O)C(=O)N(C)Cc3[nH+]ccn3C)CC2)[nH+]1 ZINC000481807204 250364403 /nfs/dbraw/zinc/36/44/03/250364403.db2.gz QQEKNDZBOOALPA-UHFFFAOYSA-N 2 2 370.457 0.867 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCc2[nH+]ccn2C)cc1F ZINC000481261540 250328867 /nfs/dbraw/zinc/32/88/67/250328867.db2.gz SIBODHUNLPXUTC-UHFFFAOYSA-N 2 2 370.388 0.986 20 0 FCADLP CC1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000481870082 250367815 /nfs/dbraw/zinc/36/78/15/250367815.db2.gz SBSSTOULJFMCRK-ZIAGYGMSSA-N 2 2 358.446 0.813 20 0 FCADLP C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073652470 208050791 /nfs/dbraw/zinc/05/07/91/208050791.db2.gz FORMQHXECBRJQK-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000057449148 208009613 /nfs/dbraw/zinc/00/96/13/208009613.db2.gz ZTZJENYXCAKQHZ-UHFFFAOYSA-N 2 2 362.474 0.650 20 0 FCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066223069 208015805 /nfs/dbraw/zinc/01/58/05/208015805.db2.gz JCKMFYMWVDHBEY-OAHLLOKOSA-N 2 2 354.414 0.903 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000078432906 208079462 /nfs/dbraw/zinc/07/94/62/208079462.db2.gz AGECTXXSXNQBPC-MRXNPFEDSA-N 2 2 366.487 0.703 20 0 FCADLP C[C@H](CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000078647884 208082848 /nfs/dbraw/zinc/08/28/48/208082848.db2.gz UBBBTMCPTRJGIK-UYAOXDASSA-N 2 2 373.545 0.727 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000079621058 208090605 /nfs/dbraw/zinc/09/06/05/208090605.db2.gz XRGXTHVAUNOFNG-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000079621058 208090610 /nfs/dbraw/zinc/09/06/10/208090610.db2.gz XRGXTHVAUNOFNG-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000082985945 208104359 /nfs/dbraw/zinc/10/43/59/208104359.db2.gz HCIVYXLJCLZQJX-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000082985945 208104364 /nfs/dbraw/zinc/10/43/64/208104364.db2.gz HCIVYXLJCLZQJX-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000089124327 208119831 /nfs/dbraw/zinc/11/98/31/208119831.db2.gz WLBIMLBZEABACH-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000089124327 208119836 /nfs/dbraw/zinc/11/98/36/208119836.db2.gz WLBIMLBZEABACH-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000101636566 208165190 /nfs/dbraw/zinc/16/51/90/208165190.db2.gz SQACYBBJFNSWIS-PKOBYXMFSA-N 2 2 360.502 0.812 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000102791760 208169892 /nfs/dbraw/zinc/16/98/92/208169892.db2.gz RSJVUTJPHHJZEC-KRWDZBQOSA-N 2 2 360.502 0.975 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)cn2)CC1 ZINC000092218255 208144284 /nfs/dbraw/zinc/14/42/84/208144284.db2.gz TWZGDDWNMPRJKJ-GOSISDBHSA-N 2 2 360.506 0.525 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)cn2)CC1 ZINC000092218255 208144291 /nfs/dbraw/zinc/14/42/91/208144291.db2.gz TWZGDDWNMPRJKJ-GOSISDBHSA-N 2 2 360.506 0.525 20 0 FCADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000106041437 208206483 /nfs/dbraw/zinc/20/64/83/208206483.db2.gz YIOFGUWKGJGENN-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000105323551 208196468 /nfs/dbraw/zinc/19/64/68/208196468.db2.gz CLSCLFIKGOQFMK-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000105323551 208196475 /nfs/dbraw/zinc/19/64/75/208196475.db2.gz CLSCLFIKGOQFMK-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105279215 208199439 /nfs/dbraw/zinc/19/94/39/208199439.db2.gz RDRNCGHRDIKNQA-KZNAEPCWSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105279215 208199445 /nfs/dbraw/zinc/19/94/45/208199445.db2.gz RDRNCGHRDIKNQA-KZNAEPCWSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000105739468 208203380 /nfs/dbraw/zinc/20/33/80/208203380.db2.gz SYMTXQWZJBBAKH-UONOGXRCSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[NH+]1CCOCC1 ZINC000105739468 208203383 /nfs/dbraw/zinc/20/33/83/208203383.db2.gz SYMTXQWZJBBAKH-UONOGXRCSA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370471 208243870 /nfs/dbraw/zinc/24/38/70/208243870.db2.gz ZSVXKOVBXQVFJZ-ROUUACIJSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370471 208243879 /nfs/dbraw/zinc/24/38/79/208243879.db2.gz ZSVXKOVBXQVFJZ-ROUUACIJSA-N 3 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370471 208243885 /nfs/dbraw/zinc/24/38/85/208243885.db2.gz ZSVXKOVBXQVFJZ-ROUUACIJSA-N 2 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370471 208243889 /nfs/dbraw/zinc/24/38/89/208243889.db2.gz ZSVXKOVBXQVFJZ-ROUUACIJSA-N 2 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000106517250 208226626 /nfs/dbraw/zinc/22/66/26/208226626.db2.gz VJYNZUFJORLBOB-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000107368785 208238880 /nfs/dbraw/zinc/23/88/80/208238880.db2.gz WGZRHUCCJHAYBB-QYZOEREBSA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000107368785 208238885 /nfs/dbraw/zinc/23/88/85/208238885.db2.gz WGZRHUCCJHAYBB-QYZOEREBSA-N 2 2 364.534 0.868 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000110062185 208266121 /nfs/dbraw/zinc/26/61/21/208266121.db2.gz WJQJOTRPRKOKII-MRXNPFEDSA-N 2 2 366.487 0.655 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000110062185 208266123 /nfs/dbraw/zinc/26/61/23/208266123.db2.gz WJQJOTRPRKOKII-MRXNPFEDSA-N 2 2 366.487 0.655 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112216015 208294125 /nfs/dbraw/zinc/29/41/25/208294125.db2.gz PNAQUHYLJFDBDV-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112216015 208294131 /nfs/dbraw/zinc/29/41/31/208294131.db2.gz PNAQUHYLJFDBDV-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[NH+](C)C)C[C@@H](C)O1 ZINC000118094448 208348625 /nfs/dbraw/zinc/34/86/25/208348625.db2.gz WNOGBVRSDZQCKO-HUUCEWRRSA-N 2 2 362.474 0.912 20 0 FCADLP C[C@]1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCC[NH2+]C1 ZINC000120289316 208380198 /nfs/dbraw/zinc/38/01/98/208380198.db2.gz KYCJRCKDAUQBOO-PXNSSMCTSA-N 2 2 361.486 0.960 20 0 FCADLP Cc1cc(N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000120598999 208383992 /nfs/dbraw/zinc/38/39/92/208383992.db2.gz OPIIKTPSWUWIDP-UHFFFAOYSA-N 2 2 360.506 0.804 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000266712977 210387438 /nfs/dbraw/zinc/38/74/38/210387438.db2.gz IMDHZVVEHLLOEN-SFHVURJKSA-N 2 2 359.518 0.631 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000266712977 210387441 /nfs/dbraw/zinc/38/74/41/210387441.db2.gz IMDHZVVEHLLOEN-SFHVURJKSA-N 2 2 359.518 0.631 20 0 FCADLP C[C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000266125932 210288539 /nfs/dbraw/zinc/28/85/39/210288539.db2.gz NMJNNYHMNCOVSM-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127893 210288126 /nfs/dbraw/zinc/28/81/26/210288126.db2.gz CUILLZLIBZNRLT-KGLIPLIRSA-N 2 2 362.478 0.241 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127893 210288130 /nfs/dbraw/zinc/28/81/30/210288130.db2.gz CUILLZLIBZNRLT-KGLIPLIRSA-N 2 2 362.478 0.241 20 0 FCADLP COC(=O)[C@@]1(C)CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000413402608 533106475 /nfs/dbraw/zinc/10/64/75/533106475.db2.gz MQNYCBNAGJFRKF-SFHVURJKSA-N 2 2 354.495 0.997 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000176300007 209001865 /nfs/dbraw/zinc/00/18/65/209001865.db2.gz RPOHVISFFLIPMD-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000176300007 209001870 /nfs/dbraw/zinc/00/18/70/209001870.db2.gz RPOHVISFFLIPMD-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000177121195 209016577 /nfs/dbraw/zinc/01/65/77/209016577.db2.gz KJGCJEKIWPFXBX-STQMWFEESA-N 2 2 364.412 0.586 20 0 FCADLP CN(CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)c1cccs1 ZINC000177139422 209018025 /nfs/dbraw/zinc/01/80/25/209018025.db2.gz QWCVMLAHOQKNQG-UHFFFAOYSA-N 2 2 352.504 0.962 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)Cc2cccc(F)c2)CC1 ZINC000177127392 209018132 /nfs/dbraw/zinc/01/81/32/209018132.db2.gz PSYSNFHVQNDLMF-UHFFFAOYSA-N 2 2 364.465 0.627 20 0 FCADLP CNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177114526 209015251 /nfs/dbraw/zinc/01/52/51/209015251.db2.gz QUUZDWXHDSQORO-UHFFFAOYSA-N 2 2 368.503 0.351 20 0 FCADLP C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000177757212 209034586 /nfs/dbraw/zinc/03/45/86/209034586.db2.gz XQHGUKLSHJGQGS-HZPDHXFCSA-N 2 2 362.478 0.640 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c2ccccc2)CC1 ZINC000178732543 209060380 /nfs/dbraw/zinc/06/03/80/209060380.db2.gz DHHGQPKDJWGSBI-RTBURBONSA-N 2 2 357.502 0.091 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000178983996 209069886 /nfs/dbraw/zinc/06/98/86/209069886.db2.gz FBENGCGLLYOBBC-UHFFFAOYSA-N 2 2 350.488 0.670 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000178983996 209069888 /nfs/dbraw/zinc/06/98/88/209069888.db2.gz FBENGCGLLYOBBC-UHFFFAOYSA-N 2 2 350.488 0.670 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+](C)C1 ZINC000413079630 533480884 /nfs/dbraw/zinc/48/08/84/533480884.db2.gz XLNQAAOUWNDKRG-AWEZNQCLSA-N 2 2 359.430 0.623 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+](C)C1 ZINC000413079630 533480888 /nfs/dbraw/zinc/48/08/88/533480888.db2.gz XLNQAAOUWNDKRG-AWEZNQCLSA-N 2 2 359.430 0.623 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413897007 533483003 /nfs/dbraw/zinc/48/30/03/533483003.db2.gz GZPIXKVSCMXIOW-AWEZNQCLSA-N 2 2 374.445 0.399 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413897007 533483007 /nfs/dbraw/zinc/48/30/07/533483007.db2.gz GZPIXKVSCMXIOW-AWEZNQCLSA-N 2 2 374.445 0.399 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000932237848 674174487 /nfs/dbraw/zinc/17/44/87/674174487.db2.gz IVKCCKRLGKFHGW-KSZLIROESA-N 2 2 351.491 0.953 20 0 FCADLP CC(C)C(=O)N1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179280340 209076481 /nfs/dbraw/zinc/07/64/81/209076481.db2.gz JPZQMZNAYGONHK-UHFFFAOYSA-N 2 2 367.538 0.912 20 0 FCADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179424186 209079720 /nfs/dbraw/zinc/07/97/20/209079720.db2.gz MWHBNQLIQXFTKY-AEFFLSMTSA-N 2 2 374.485 0.926 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1cccc2[nH+]ccn21)NC[C@@H]1CCCCO1 ZINC000179425075 209079832 /nfs/dbraw/zinc/07/98/32/209079832.db2.gz FRPWVEHQGCYBJT-HNNXBMFYSA-N 2 2 352.460 0.912 20 0 FCADLP COc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2=O)[NH+]2CCCC2)cc1 ZINC000163501526 229203321 /nfs/dbraw/zinc/20/33/21/229203321.db2.gz JTTPYEXPOWWTFJ-QGZVFWFLSA-N 2 2 360.458 0.380 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000238125190 229276647 /nfs/dbraw/zinc/27/66/47/229276647.db2.gz QHDAELJXEKHWOV-DOTOQJQBSA-N 2 2 369.469 0.984 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410468347 230091227 /nfs/dbraw/zinc/09/12/27/230091227.db2.gz LYHXIJRYAXOGOJ-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410468347 230091228 /nfs/dbraw/zinc/09/12/28/230091228.db2.gz LYHXIJRYAXOGOJ-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000410469730 230091912 /nfs/dbraw/zinc/09/19/12/230091912.db2.gz OAACGMUISUJXSB-HOTGVXAUSA-N 2 2 361.490 0.754 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410477291 230094489 /nfs/dbraw/zinc/09/44/89/230094489.db2.gz SPSYEZULPMCXDK-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410477291 230094495 /nfs/dbraw/zinc/09/44/95/230094495.db2.gz SPSYEZULPMCXDK-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410498039 230103981 /nfs/dbraw/zinc/10/39/81/230103981.db2.gz MGIRVTUHDSTBBY-WBVHZDCISA-N 2 2 358.442 0.756 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410498039 230103985 /nfs/dbraw/zinc/10/39/85/230103985.db2.gz MGIRVTUHDSTBBY-WBVHZDCISA-N 2 2 358.442 0.756 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000410519222 230117268 /nfs/dbraw/zinc/11/72/68/230117268.db2.gz QYGGOMQNANIGCR-KRWDZBQOSA-N 2 2 370.538 0.743 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000410519222 230117270 /nfs/dbraw/zinc/11/72/70/230117270.db2.gz QYGGOMQNANIGCR-KRWDZBQOSA-N 2 2 370.538 0.743 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410591553 230146085 /nfs/dbraw/zinc/14/60/85/230146085.db2.gz WDSPEMJDHCOXLJ-ZACQAIPSSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410591553 230146089 /nfs/dbraw/zinc/14/60/89/230146089.db2.gz WDSPEMJDHCOXLJ-ZACQAIPSSA-N 2 2 373.501 0.896 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC000410731506 230219564 /nfs/dbraw/zinc/21/95/64/230219564.db2.gz HCIKZDOARRUZNK-XHSDSOJGSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC000410731506 230219570 /nfs/dbraw/zinc/21/95/70/230219570.db2.gz HCIKZDOARRUZNK-XHSDSOJGSA-N 2 2 359.474 0.364 20 0 FCADLP c1ccc2c(c1)N(CC[NH+]1CCOCC1)CCN2CC[NH+]1CCOCC1 ZINC000287388922 488865199 /nfs/dbraw/zinc/86/51/99/488865199.db2.gz NIEXBONRLAZOEY-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278313912 488867643 /nfs/dbraw/zinc/86/76/43/488867643.db2.gz IHDYZOWSYSOJGV-ZDUSSCGKSA-N 2 2 350.419 0.646 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278313912 488867647 /nfs/dbraw/zinc/86/76/47/488867647.db2.gz IHDYZOWSYSOJGV-ZDUSSCGKSA-N 2 2 350.419 0.646 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C(=O)N(C)C ZINC000363667767 488870990 /nfs/dbraw/zinc/87/09/90/488870990.db2.gz YBMMHGHURDKFSF-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000363673638 488871835 /nfs/dbraw/zinc/87/18/35/488871835.db2.gz RTSRQTKXMSPBIO-KSZLIROESA-N 2 2 366.550 0.970 20 0 FCADLP C[C@@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000363673638 488871837 /nfs/dbraw/zinc/87/18/37/488871837.db2.gz RTSRQTKXMSPBIO-KSZLIROESA-N 2 2 366.550 0.970 20 0 FCADLP C[NH+](C)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000301224216 488877800 /nfs/dbraw/zinc/87/78/00/488877800.db2.gz ATYOLDKIKKOTFG-HNNXBMFYSA-N 2 2 367.519 0.548 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000302216775 488888441 /nfs/dbraw/zinc/88/84/41/488888441.db2.gz IYXHFYXOJDBKON-OAHLLOKOSA-N 2 2 361.494 0.193 20 0 FCADLP CC1CCC(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)CC1 ZINC000302216674 488888916 /nfs/dbraw/zinc/88/89/16/488888916.db2.gz JSJLFWMQNRDJFE-UHFFFAOYSA-N 2 2 359.474 0.997 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363833068 488890668 /nfs/dbraw/zinc/89/06/68/488890668.db2.gz WXGUEOMVACJCDB-BPQIPLTHSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363833068 488890670 /nfs/dbraw/zinc/89/06/70/488890670.db2.gz WXGUEOMVACJCDB-BPQIPLTHSA-N 2 2 368.522 0.990 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000363910535 488899296 /nfs/dbraw/zinc/89/92/96/488899296.db2.gz RCOADPVCQSUYOC-CQSZACIVSA-N 2 2 374.441 0.639 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000363910535 488899298 /nfs/dbraw/zinc/89/92/98/488899298.db2.gz RCOADPVCQSUYOC-CQSZACIVSA-N 2 2 374.441 0.639 20 0 FCADLP COc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363914987 488900222 /nfs/dbraw/zinc/90/02/22/488900222.db2.gz YXKTWMJPLXTPPL-AWEZNQCLSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363914987 488900224 /nfs/dbraw/zinc/90/02/24/488900224.db2.gz YXKTWMJPLXTPPL-AWEZNQCLSA-N 2 2 360.458 0.918 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)ccc1=O ZINC000287710723 488897136 /nfs/dbraw/zinc/89/71/36/488897136.db2.gz NDWFVMQMLZKWLE-KRWDZBQOSA-N 2 2 362.474 0.849 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)ccc1=O ZINC000287710723 488897139 /nfs/dbraw/zinc/89/71/39/488897139.db2.gz NDWFVMQMLZKWLE-KRWDZBQOSA-N 2 2 362.474 0.849 20 0 FCADLP COC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000278997050 488909955 /nfs/dbraw/zinc/90/99/55/488909955.db2.gz CFHCJTLAZLNEOV-IAGOWNOFSA-N 2 2 362.474 0.904 20 0 FCADLP C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364150756 488928534 /nfs/dbraw/zinc/92/85/34/488928534.db2.gz PARAZDRUKLBIGV-ZMSDIMECSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364150756 488928535 /nfs/dbraw/zinc/92/85/35/488928535.db2.gz PARAZDRUKLBIGV-ZMSDIMECSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H](C)[N@H+]1CCO ZINC000364202578 488934115 /nfs/dbraw/zinc/93/41/15/488934115.db2.gz LJJAOXNTVPBOJY-IYBDPMFKSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000364202578 488934120 /nfs/dbraw/zinc/93/41/20/488934120.db2.gz LJJAOXNTVPBOJY-IYBDPMFKSA-N 2 2 363.506 0.546 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902906 488948432 /nfs/dbraw/zinc/94/84/32/488948432.db2.gz HEGUFZGHWIKFSF-QZTJIDSGSA-N 2 2 373.563 0.538 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902906 488948433 /nfs/dbraw/zinc/94/84/33/488948433.db2.gz HEGUFZGHWIKFSF-QZTJIDSGSA-N 2 2 373.563 0.538 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041487791 487829717 /nfs/dbraw/zinc/82/97/17/487829717.db2.gz BTSQFFBNDJQDKH-HOCLYGCPSA-N 2 2 353.492 0.779 20 0 FCADLP CCCS(=O)(=O)NC1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000042134194 487858244 /nfs/dbraw/zinc/85/82/44/487858244.db2.gz JQQDEQGMRCAWHX-UHFFFAOYSA-N 2 2 374.551 0.381 20 0 FCADLP CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000042134020 487858364 /nfs/dbraw/zinc/85/83/64/487858364.db2.gz JHNCAJPELDLETP-OAHLLOKOSA-N 2 2 374.551 0.333 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046228566 487972724 /nfs/dbraw/zinc/97/27/24/487972724.db2.gz UBBYUKZSVZWSBQ-UHFFFAOYSA-N 2 2 360.462 0.077 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935681596 674326044 /nfs/dbraw/zinc/32/60/44/674326044.db2.gz VPUNIVFUESXFOZ-MSOLQXFVSA-N 2 2 351.491 0.857 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000047424428 488026111 /nfs/dbraw/zinc/02/61/11/488026111.db2.gz ODGHLQSNKUTEFE-UHFFFAOYSA-N 2 2 374.489 0.691 20 0 FCADLP CC(C)COC[C@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760704 488144711 /nfs/dbraw/zinc/14/47/11/488144711.db2.gz JITUIURIAZVHCS-GOSISDBHSA-N 2 2 370.538 0.878 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)N3CCCCC3)CC2)CC1 ZINC000051760923 488144741 /nfs/dbraw/zinc/14/47/41/488144741.db2.gz XBCGXBMVAVTOGJ-UHFFFAOYSA-N 2 2 365.522 0.857 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000279778775 488968367 /nfs/dbraw/zinc/96/83/67/488968367.db2.gz SZVWCJVWZNKHRS-HNNXBMFYSA-N 2 2 355.446 0.639 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000279778775 488968370 /nfs/dbraw/zinc/96/83/70/488968370.db2.gz SZVWCJVWZNKHRS-HNNXBMFYSA-N 2 2 355.446 0.639 20 0 FCADLP CC(C)CC[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000053365504 488198890 /nfs/dbraw/zinc/19/88/90/488198890.db2.gz BOIYVDSNCDXDRJ-UHFFFAOYSA-N 2 2 359.478 0.990 20 0 FCADLP CC(C)CC[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000053365504 488198897 /nfs/dbraw/zinc/19/88/97/488198897.db2.gz BOIYVDSNCDXDRJ-UHFFFAOYSA-N 2 2 359.478 0.990 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119603 488970930 /nfs/dbraw/zinc/97/09/30/488970930.db2.gz VLFPNEGPQSECNB-CVEARBPZSA-N 2 2 362.478 0.916 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119603 488970931 /nfs/dbraw/zinc/97/09/31/488970931.db2.gz VLFPNEGPQSECNB-CVEARBPZSA-N 2 2 362.478 0.916 20 0 FCADLP CC(C)C(=O)NC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000061022509 488293220 /nfs/dbraw/zinc/29/32/20/488293220.db2.gz MDWBYWTZRHLICS-UHFFFAOYSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000554288935 491191257 /nfs/dbraw/zinc/19/12/57/491191257.db2.gz CKELDOSGPRPYQY-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000554288935 491191259 /nfs/dbraw/zinc/19/12/59/491191259.db2.gz CKELDOSGPRPYQY-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000562817871 491191802 /nfs/dbraw/zinc/19/18/02/491191802.db2.gz NLVGWPCDKKVNEM-SYAUCNOPSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000562817871 491191805 /nfs/dbraw/zinc/19/18/05/491191805.db2.gz NLVGWPCDKKVNEM-SYAUCNOPSA-N 2 2 352.458 0.630 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000068510346 488366663 /nfs/dbraw/zinc/36/66/63/488366663.db2.gz BUAKEIWCIXEBMA-LJQANCHMSA-N 2 2 360.502 0.814 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000069506267 488372908 /nfs/dbraw/zinc/37/29/08/488372908.db2.gz LZUPEPZXRBPVIG-UHFFFAOYSA-N 2 2 374.489 0.466 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069858584 488374054 /nfs/dbraw/zinc/37/40/54/488374054.db2.gz NXAQMWWGMYNJND-INIZCTEOSA-N 2 2 367.490 0.442 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069858584 488374055 /nfs/dbraw/zinc/37/40/55/488374055.db2.gz NXAQMWWGMYNJND-INIZCTEOSA-N 2 2 367.490 0.442 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000071922542 488377528 /nfs/dbraw/zinc/37/75/28/488377528.db2.gz IOWUKAYELOPAAV-UHFFFAOYSA-N 2 2 355.527 0.426 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000071922542 488377529 /nfs/dbraw/zinc/37/75/29/488377529.db2.gz IOWUKAYELOPAAV-UHFFFAOYSA-N 2 2 355.527 0.426 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000073425783 488384587 /nfs/dbraw/zinc/38/45/87/488384587.db2.gz BRCXHSBXCUIYPS-QGZVFWFLSA-N 2 2 355.527 0.282 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000073425783 488384588 /nfs/dbraw/zinc/38/45/88/488384588.db2.gz BRCXHSBXCUIYPS-QGZVFWFLSA-N 2 2 355.527 0.282 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073527266 488384762 /nfs/dbraw/zinc/38/47/62/488384762.db2.gz IQYFZDQLICGFKM-QZTJIDSGSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073527266 488384763 /nfs/dbraw/zinc/38/47/63/488384763.db2.gz IQYFZDQLICGFKM-QZTJIDSGSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)(CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073483880 488384872 /nfs/dbraw/zinc/38/48/72/488384872.db2.gz OZUWRLFYSOZXLG-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073564261 488385005 /nfs/dbraw/zinc/38/50/05/488385005.db2.gz XLYZOHVSHZQDGO-LJQANCHMSA-N 2 2 359.518 0.561 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073564261 488385006 /nfs/dbraw/zinc/38/50/06/488385006.db2.gz XLYZOHVSHZQDGO-LJQANCHMSA-N 2 2 359.518 0.561 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000074100878 488387342 /nfs/dbraw/zinc/38/73/42/488387342.db2.gz HKPRQQIDGQNCOH-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000074100878 488387343 /nfs/dbraw/zinc/38/73/43/488387343.db2.gz HKPRQQIDGQNCOH-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134031 488387693 /nfs/dbraw/zinc/38/76/93/488387693.db2.gz IQENFMOXISUJDR-QZTJIDSGSA-N 2 2 368.570 0.195 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134031 488387694 /nfs/dbraw/zinc/38/76/94/488387694.db2.gz IQENFMOXISUJDR-QZTJIDSGSA-N 2 2 368.570 0.195 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1=O ZINC000074198036 488389177 /nfs/dbraw/zinc/38/91/77/488389177.db2.gz YZNGSEINHIVQQQ-OAHLLOKOSA-N 2 2 356.430 0.294 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371572 488391445 /nfs/dbraw/zinc/39/14/45/488391445.db2.gz IEOMREFNMYFIIQ-ROUUACIJSA-N 2 2 369.554 0.528 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371572 488391450 /nfs/dbraw/zinc/39/14/50/488391450.db2.gz IEOMREFNMYFIIQ-ROUUACIJSA-N 2 2 369.554 0.528 20 0 FCADLP C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000186300863 488405764 /nfs/dbraw/zinc/40/57/64/488405764.db2.gz ARODMTJWRRHJBU-ICSRJNTNSA-N 2 2 374.529 0.682 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CC(=O)N3CCOCC3)c2cc1C ZINC000076572866 488405962 /nfs/dbraw/zinc/40/59/62/488405962.db2.gz ZOBWMVLCAQOSPX-MRXNPFEDSA-N 2 2 360.458 0.805 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CC(=O)N3CCOCC3)c2cc1C ZINC000076572866 488405964 /nfs/dbraw/zinc/40/59/64/488405964.db2.gz ZOBWMVLCAQOSPX-MRXNPFEDSA-N 2 2 360.458 0.805 20 0 FCADLP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000569833900 491196865 /nfs/dbraw/zinc/19/68/65/491196865.db2.gz HFERHBKLVJJCTO-HOTGVXAUSA-N 2 2 352.504 0.592 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000192814349 488424884 /nfs/dbraw/zinc/42/48/84/488424884.db2.gz AYMOGGHGGZDHCB-DLBZAZTESA-N 2 2 364.490 0.311 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000192814349 488424886 /nfs/dbraw/zinc/42/48/86/488424886.db2.gz AYMOGGHGGZDHCB-DLBZAZTESA-N 2 2 364.490 0.311 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554354515 491197791 /nfs/dbraw/zinc/19/77/91/491197791.db2.gz YRZVWUGONMGHSF-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554354515 491197793 /nfs/dbraw/zinc/19/77/93/491197793.db2.gz YRZVWUGONMGHSF-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP O=C(NCC[NH+]1CCCCC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000079948072 488432376 /nfs/dbraw/zinc/43/23/76/488432376.db2.gz JYSLMGJPIZFORY-UHFFFAOYSA-N 2 2 361.494 0.384 20 0 FCADLP COCC[NH+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000195338909 488437185 /nfs/dbraw/zinc/43/71/85/488437185.db2.gz KYSSDICQCQQOGB-UHFFFAOYSA-N 2 2 373.523 0.014 20 0 FCADLP C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000080893734 488437707 /nfs/dbraw/zinc/43/77/07/488437707.db2.gz QEQXOSOJXDWSMK-JXFKEZNVSA-N 2 2 361.486 0.633 20 0 FCADLP C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000080893734 488437710 /nfs/dbraw/zinc/43/77/10/488437710.db2.gz QEQXOSOJXDWSMK-JXFKEZNVSA-N 2 2 361.486 0.633 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000081255248 488440426 /nfs/dbraw/zinc/44/04/26/488440426.db2.gz DGBJMXRDTNHOBN-QGZVFWFLSA-N 2 2 359.474 0.278 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000081255248 488440428 /nfs/dbraw/zinc/44/04/28/488440428.db2.gz DGBJMXRDTNHOBN-QGZVFWFLSA-N 2 2 359.474 0.278 20 0 FCADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000268843167 488452840 /nfs/dbraw/zinc/45/28/40/488452840.db2.gz BDOYFGWQNMVABS-YPMHNXCESA-N 2 2 358.284 0.964 20 0 FCADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000268843167 488452843 /nfs/dbraw/zinc/45/28/43/488452843.db2.gz BDOYFGWQNMVABS-YPMHNXCESA-N 2 2 358.284 0.964 20 0 FCADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000268843162 488452969 /nfs/dbraw/zinc/45/29/69/488452969.db2.gz BDOYFGWQNMVABS-AAEUAGOBSA-N 2 2 358.284 0.964 20 0 FCADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000268843162 488452970 /nfs/dbraw/zinc/45/29/70/488452970.db2.gz BDOYFGWQNMVABS-AAEUAGOBSA-N 2 2 358.284 0.964 20 0 FCADLP CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000236784842 488453368 /nfs/dbraw/zinc/45/33/68/488453368.db2.gz UPUIABXIDHWFOQ-HNNXBMFYSA-N 2 2 362.478 0.479 20 0 FCADLP CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000236784842 488453370 /nfs/dbraw/zinc/45/33/70/488453370.db2.gz UPUIABXIDHWFOQ-HNNXBMFYSA-N 2 2 362.478 0.479 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+](CCO)CC3)CC2)c1 ZINC000087084339 488453822 /nfs/dbraw/zinc/45/38/22/488453822.db2.gz OINMQIDCJGXZCZ-UHFFFAOYSA-N 2 2 360.502 0.644 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000236937642 488453885 /nfs/dbraw/zinc/45/38/85/488453885.db2.gz JZLYXKNNHIBVHE-KRWDZBQOSA-N 2 2 360.458 0.320 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc[nH+]1 ZINC000237193429 488454815 /nfs/dbraw/zinc/45/48/15/488454815.db2.gz WNDDRMXBNDRNHW-KRWDZBQOSA-N 2 2 366.469 0.906 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237431249 488455552 /nfs/dbraw/zinc/45/55/52/488455552.db2.gz FYVALEXYBOGDOL-SJLPKXTDSA-N 2 2 374.485 0.120 20 0 FCADLP C[C@@]1(C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CC[NH2+]C1 ZINC000237557885 488455950 /nfs/dbraw/zinc/45/59/50/488455950.db2.gz NPKMGQQZZHUSTE-LJQANCHMSA-N 2 2 362.449 0.699 20 0 FCADLP C[C@H]1C[NH+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3=O)c2)C[C@H](C)O1 ZINC000237639732 488456266 /nfs/dbraw/zinc/45/62/66/488456266.db2.gz MJFNAUXWTXMVBB-GJZGRUSLSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1=O ZINC000237666234 488456564 /nfs/dbraw/zinc/45/65/64/488456564.db2.gz VJYDEELMGZIVNY-QGZVFWFLSA-N 2 2 374.485 0.168 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000237921805 488457700 /nfs/dbraw/zinc/45/77/00/488457700.db2.gz RROLUYDXJXLCIW-GOSISDBHSA-N 2 2 374.485 0.446 20 0 FCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926782 488458970 /nfs/dbraw/zinc/45/89/70/488458970.db2.gz DRJGMPSEOFMZGX-OAHLLOKOSA-N 2 2 363.462 0.486 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246151453 488470004 /nfs/dbraw/zinc/47/00/04/488470004.db2.gz PDYWVCGXGIXSAJ-IAGOWNOFSA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246151453 488470008 /nfs/dbraw/zinc/47/00/08/488470008.db2.gz PDYWVCGXGIXSAJ-IAGOWNOFSA-N 2 2 356.511 0.585 20 0 FCADLP CC(C)OCC[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000093586666 488479539 /nfs/dbraw/zinc/47/95/39/488479539.db2.gz XOWWDWAFTRHGRY-UHFFFAOYSA-N 2 2 362.522 0.771 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000247465436 488486556 /nfs/dbraw/zinc/48/65/56/488486556.db2.gz REGNXRVQDYDBMK-SJORKVTESA-N 2 2 373.505 0.477 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000247465436 488486559 /nfs/dbraw/zinc/48/65/59/488486559.db2.gz REGNXRVQDYDBMK-SJORKVTESA-N 2 2 373.505 0.477 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000247556008 488487837 /nfs/dbraw/zinc/48/78/37/488487837.db2.gz QVMWPQJVQAEKHB-NVXWUHKLSA-N 2 2 365.522 0.855 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000247556008 488487840 /nfs/dbraw/zinc/48/78/40/488487840.db2.gz QVMWPQJVQAEKHB-NVXWUHKLSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247687750 488489135 /nfs/dbraw/zinc/48/91/35/488489135.db2.gz SHMYPCPWYAFEJG-JHJVBQTASA-N 2 2 374.445 0.017 20 0 FCADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247687750 488489136 /nfs/dbraw/zinc/48/91/36/488489136.db2.gz SHMYPCPWYAFEJG-JHJVBQTASA-N 2 2 374.445 0.017 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247809473 488490379 /nfs/dbraw/zinc/49/03/79/488490379.db2.gz UKQQAGCFGXETQP-BRWVUGGUSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247809473 488490381 /nfs/dbraw/zinc/49/03/81/488490381.db2.gz UKQQAGCFGXETQP-BRWVUGGUSA-N 2 2 369.554 0.809 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569912390 491202827 /nfs/dbraw/zinc/20/28/27/491202827.db2.gz MOCAWBVGZAKAIW-CQSZACIVSA-N 2 2 361.446 0.444 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000248602850 488499112 /nfs/dbraw/zinc/49/91/12/488499112.db2.gz JINVFRAWGYJKQQ-OKZBNKHCSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000248602850 488499114 /nfs/dbraw/zinc/49/91/14/488499114.db2.gz JINVFRAWGYJKQQ-OKZBNKHCSA-N 2 2 370.538 0.830 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)CC2)c1 ZINC000248890858 488504035 /nfs/dbraw/zinc/50/40/35/488504035.db2.gz FSRKYMLITUPPGG-QZTJIDSGSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)CC2)c1 ZINC000248890858 488504037 /nfs/dbraw/zinc/50/40/37/488504037.db2.gz FSRKYMLITUPPGG-QZTJIDSGSA-N 2 2 363.502 0.703 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000249132370 488506916 /nfs/dbraw/zinc/50/69/16/488506916.db2.gz SWFBVBRQHULRBM-PMPSAXMXSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000249132370 488506918 /nfs/dbraw/zinc/50/69/18/488506918.db2.gz SWFBVBRQHULRBM-PMPSAXMXSA-N 2 2 356.511 0.582 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCOC[C@@H]3C)CC2)C1 ZINC000249587226 488512736 /nfs/dbraw/zinc/51/27/36/488512736.db2.gz OOHXKKHQVQMDGJ-OALUTQOASA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCOC[C@@H]3C)CC2)C1 ZINC000249587226 488512739 /nfs/dbraw/zinc/51/27/39/488512739.db2.gz OOHXKKHQVQMDGJ-OALUTQOASA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCOC[C@@H]3C)CC2)C1 ZINC000249587226 488512740 /nfs/dbraw/zinc/51/27/40/488512740.db2.gz OOHXKKHQVQMDGJ-OALUTQOASA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCOC[C@@H]3C)CC2)C1 ZINC000249587226 488512742 /nfs/dbraw/zinc/51/27/42/488512742.db2.gz OOHXKKHQVQMDGJ-OALUTQOASA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000249587226 488512744 /nfs/dbraw/zinc/51/27/44/488512744.db2.gz OOHXKKHQVQMDGJ-OALUTQOASA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000249587226 488512745 /nfs/dbraw/zinc/51/27/45/488512745.db2.gz OOHXKKHQVQMDGJ-OALUTQOASA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000107832962 488518342 /nfs/dbraw/zinc/51/83/42/488518342.db2.gz GRKKAQVLQHKQJR-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663729 488519216 /nfs/dbraw/zinc/51/92/16/488519216.db2.gz DPRLMFJJMKYJJW-LVQVYYBASA-N 2 2 368.503 0.800 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663729 488519219 /nfs/dbraw/zinc/51/92/19/488519219.db2.gz DPRLMFJJMKYJJW-LVQVYYBASA-N 2 2 368.503 0.800 20 0 FCADLP CNC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271515648 488524162 /nfs/dbraw/zinc/52/41/62/488524162.db2.gz UDFXEIUNWPXDCM-GJZGRUSLSA-N 2 2 362.478 0.396 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261615192 488527648 /nfs/dbraw/zinc/52/76/48/488527648.db2.gz CRDGTMRTRIWRNR-CXAGYDPISA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261615192 488527651 /nfs/dbraw/zinc/52/76/51/488527651.db2.gz CRDGTMRTRIWRNR-CXAGYDPISA-N 2 2 368.503 0.935 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)Nc3ccncc3)CC2)CC1 ZINC000111241715 488528849 /nfs/dbraw/zinc/52/88/49/488528849.db2.gz PIAPNQAKBRMQPH-UHFFFAOYSA-N 2 2 359.474 0.896 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753189 488534799 /nfs/dbraw/zinc/53/47/99/488534799.db2.gz FKTBCBQQQFZZGR-GJZGRUSLSA-N 2 2 362.478 0.247 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753189 488534801 /nfs/dbraw/zinc/53/48/01/488534801.db2.gz FKTBCBQQQFZZGR-GJZGRUSLSA-N 2 2 362.478 0.247 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000112443023 488534885 /nfs/dbraw/zinc/53/48/85/488534885.db2.gz DAIPGTPGAACKCC-UHFFFAOYSA-N 2 2 363.510 0.630 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000112443023 488534886 /nfs/dbraw/zinc/53/48/86/488534886.db2.gz DAIPGTPGAACKCC-UHFFFAOYSA-N 2 2 363.510 0.630 20 0 FCADLP O=S(=O)(NCC(F)(F)F)NC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261783662 488535619 /nfs/dbraw/zinc/53/56/19/488535619.db2.gz NZIAVTJMYYHKRF-UHFFFAOYSA-N 2 2 358.430 0.437 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000112744832 488536262 /nfs/dbraw/zinc/53/62/62/488536262.db2.gz LSKNIALRAYXRBY-UHFFFAOYSA-N 2 2 361.494 0.336 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000114163812 488540038 /nfs/dbraw/zinc/54/00/38/488540038.db2.gz BBXHFJFLVJBEFD-INIZCTEOSA-N 2 2 359.474 0.136 20 0 FCADLP C[N@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114463815 488541296 /nfs/dbraw/zinc/54/12/96/488541296.db2.gz GANYDTMYLGTTEL-UHFFFAOYSA-N 2 2 350.463 0.188 20 0 FCADLP C[N@@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114463815 488541299 /nfs/dbraw/zinc/54/12/99/488541299.db2.gz GANYDTMYLGTTEL-UHFFFAOYSA-N 2 2 350.463 0.188 20 0 FCADLP O=C(CC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1)N1CC[NH2+]CC1 ZINC000261972255 488544197 /nfs/dbraw/zinc/54/41/97/488544197.db2.gz BKCDXHNWSVCLFD-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP O=C(CC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1)N1CC[NH2+]CC1 ZINC000261972255 488544200 /nfs/dbraw/zinc/54/42/00/488544200.db2.gz BKCDXHNWSVCLFD-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP C[C@]1(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC[NH2+]C1 ZINC000262064662 488548800 /nfs/dbraw/zinc/54/88/00/488548800.db2.gz RMSFLAHNZWDLJO-LBPRGKRZSA-N 2 2 358.430 0.437 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1)N1CC[NH2+]CC1 ZINC000262137009 488552699 /nfs/dbraw/zinc/55/26/99/488552699.db2.gz OKJNDZXIHKRHQW-UHFFFAOYSA-N 2 2 366.412 0.545 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000262227455 488558445 /nfs/dbraw/zinc/55/84/45/488558445.db2.gz JZDLUHRNNGKRDO-KDOFPFPSSA-N 2 2 360.458 0.319 20 0 FCADLP C[C@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000120360501 488561398 /nfs/dbraw/zinc/56/13/98/488561398.db2.gz SFECUAUMZQDISX-HUUCEWRRSA-N 2 2 354.476 0.300 20 0 FCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000262330082 488564221 /nfs/dbraw/zinc/56/42/21/488564221.db2.gz RMVBASUXAUBOKD-AWEZNQCLSA-N 2 2 367.446 0.330 20 0 FCADLP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000121228438 488565427 /nfs/dbraw/zinc/56/54/27/488565427.db2.gz UXEKCGMGFCWOJR-HOCLYGCPSA-N 2 2 353.488 0.890 20 0 FCADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000121284487 488565994 /nfs/dbraw/zinc/56/59/94/488565994.db2.gz NGZQAQCXOXDZLI-ZDUSSCGKSA-N 2 2 354.476 0.101 20 0 FCADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000121284487 488565997 /nfs/dbraw/zinc/56/59/97/488565997.db2.gz NGZQAQCXOXDZLI-ZDUSSCGKSA-N 2 2 354.476 0.101 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cnn(C)c1 ZINC000262371118 488567189 /nfs/dbraw/zinc/56/71/89/488567189.db2.gz LQQBSWGJOMQRPS-QGZVFWFLSA-N 2 2 357.462 0.144 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262392815 488568190 /nfs/dbraw/zinc/56/81/90/488568190.db2.gz XZTPPQMGJZMWEF-KDOFPFPSSA-N 2 2 360.458 0.583 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000262449036 488571298 /nfs/dbraw/zinc/57/12/98/488571298.db2.gz VSHBZESXQSOOGW-LJQANCHMSA-N 2 2 370.501 0.744 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCCC(=O)NC1CC1 ZINC000262469225 488572166 /nfs/dbraw/zinc/57/21/66/488572166.db2.gz YEKJKXYOBPVSNQ-SFHVURJKSA-N 2 2 369.469 0.976 20 0 FCADLP C[NH2+][C@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)c1cnn(C)c1 ZINC000262483066 488572834 /nfs/dbraw/zinc/57/28/34/488572834.db2.gz ZREXYCLEVHYDNR-KRWDZBQOSA-N 2 2 359.478 0.375 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000122053609 488574471 /nfs/dbraw/zinc/57/44/71/488574471.db2.gz ILKQEOSCERURCD-MAUKXSAKSA-N 2 2 357.458 0.990 20 0 FCADLP CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000122255014 488576600 /nfs/dbraw/zinc/57/66/00/488576600.db2.gz UMEHJZHYAHCGBE-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C(N)=O)n3)CC2)CC1 ZINC000122254014 488576640 /nfs/dbraw/zinc/57/66/40/488576640.db2.gz OTTBIWGVGOSICG-UHFFFAOYSA-N 2 2 360.462 0.861 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c2)CC1 ZINC000262543604 488576769 /nfs/dbraw/zinc/57/67/69/488576769.db2.gz SZWIGVBBQYFWSE-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122919482 488581548 /nfs/dbraw/zinc/58/15/48/488581548.db2.gz MTANVCBTOIKQHW-ZDUSSCGKSA-N 2 2 354.524 0.780 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122919482 488581550 /nfs/dbraw/zinc/58/15/50/488581550.db2.gz MTANVCBTOIKQHW-ZDUSSCGKSA-N 2 2 354.524 0.780 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000122954646 488581589 /nfs/dbraw/zinc/58/15/89/488581589.db2.gz UHTBCEWCHWLFDH-UHFFFAOYSA-N 2 2 373.501 0.824 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000122954646 488581591 /nfs/dbraw/zinc/58/15/91/488581591.db2.gz UHTBCEWCHWLFDH-UHFFFAOYSA-N 2 2 373.501 0.824 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCOCC1 ZINC000122985627 488582294 /nfs/dbraw/zinc/58/22/94/488582294.db2.gz HNOLNUWOPBXFJS-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCOCC1 ZINC000122985627 488582295 /nfs/dbraw/zinc/58/22/95/488582295.db2.gz HNOLNUWOPBXFJS-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000262639877 488583802 /nfs/dbraw/zinc/58/38/02/488583802.db2.gz HABJSGDRDACNMH-HNNXBMFYSA-N 2 2 364.471 0.350 20 0 FCADLP CCC[C@@](C)([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000262695456 488587071 /nfs/dbraw/zinc/58/70/71/488587071.db2.gz CZLYAVGDXHFWDM-GOSISDBHSA-N 2 2 362.478 0.479 20 0 FCADLP CCC[C@@](C)([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000262695456 488587073 /nfs/dbraw/zinc/58/70/73/488587073.db2.gz CZLYAVGDXHFWDM-GOSISDBHSA-N 2 2 362.478 0.479 20 0 FCADLP CCC[C@](C)([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000262695457 488587142 /nfs/dbraw/zinc/58/71/42/488587142.db2.gz CZLYAVGDXHFWDM-SFHVURJKSA-N 2 2 362.478 0.479 20 0 FCADLP CCC[C@](C)([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000262695457 488587143 /nfs/dbraw/zinc/58/71/43/488587143.db2.gz CZLYAVGDXHFWDM-SFHVURJKSA-N 2 2 362.478 0.479 20 0 FCADLP O=C(COC1C[NH2+]C1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000563047082 491210559 /nfs/dbraw/zinc/21/05/59/491210559.db2.gz NVGGTFOKBDAKCJ-UHFFFAOYSA-N 2 2 363.849 0.620 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000263255790 488608001 /nfs/dbraw/zinc/60/80/01/488608001.db2.gz QQEHSTSNFCPPHU-SFHVURJKSA-N 2 2 357.458 0.842 20 0 FCADLP C[C@H](C[S@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000126339919 488608474 /nfs/dbraw/zinc/60/84/74/488608474.db2.gz BRVWVXNRJJEHAY-OYLFLEFRSA-N 2 2 352.504 0.819 20 0 FCADLP CCOC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127179253 488615245 /nfs/dbraw/zinc/61/52/45/488615245.db2.gz XBYQVPIXQBAPHO-OAHLLOKOSA-N 2 2 356.492 0.548 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)c(=O)[nH]c1=O ZINC000130398120 488637265 /nfs/dbraw/zinc/63/72/65/488637265.db2.gz MPTLKAKLXATBKF-UHFFFAOYSA-N 2 2 362.434 0.176 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c(=O)[nH]c1=O ZINC000130398120 488637266 /nfs/dbraw/zinc/63/72/66/488637266.db2.gz MPTLKAKLXATBKF-UHFFFAOYSA-N 2 2 362.434 0.176 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)ccc2n1C ZINC000130805321 488640231 /nfs/dbraw/zinc/64/02/31/488640231.db2.gz MPFBVDRWPJTKOH-CYBMUJFWSA-N 2 2 372.473 0.572 20 0 FCADLP CC(C)(C)[N@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000131104670 488643220 /nfs/dbraw/zinc/64/32/20/488643220.db2.gz STAOQGFQZWSPLM-UHFFFAOYSA-N 2 2 368.522 0.724 20 0 FCADLP CC(C)(C)[N@@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000131104670 488643221 /nfs/dbraw/zinc/64/32/21/488643221.db2.gz STAOQGFQZWSPLM-UHFFFAOYSA-N 2 2 368.522 0.724 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550480 488660316 /nfs/dbraw/zinc/66/03/16/488660316.db2.gz NZWPMWSRIAVFPC-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550480 488660318 /nfs/dbraw/zinc/66/03/18/488660318.db2.gz NZWPMWSRIAVFPC-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cn2)CC1 ZINC000134111177 488664148 /nfs/dbraw/zinc/66/41/48/488664148.db2.gz AQEJOIBQVSFGKT-UHFFFAOYSA-N 3 2 374.533 0.773 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570093000 491216026 /nfs/dbraw/zinc/21/60/26/491216026.db2.gz DYSNLTZOZLCOFZ-FUHWJXTLSA-N 2 2 374.485 0.277 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570093000 491216029 /nfs/dbraw/zinc/21/60/29/491216029.db2.gz DYSNLTZOZLCOFZ-FUHWJXTLSA-N 2 2 374.485 0.277 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000264370816 488668093 /nfs/dbraw/zinc/66/80/93/488668093.db2.gz QVCUXVKYBMKBFD-KRWDZBQOSA-N 2 2 360.506 0.545 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264436683 488673431 /nfs/dbraw/zinc/67/34/31/488673431.db2.gz PNVMJSJFLQZKJU-PXNSSMCTSA-N 2 2 374.529 0.937 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC000136102614 488676597 /nfs/dbraw/zinc/67/65/97/488676597.db2.gz BQBSBQITTAMODY-KRWDZBQOSA-N 2 2 360.506 0.768 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000137109411 488680266 /nfs/dbraw/zinc/68/02/66/488680266.db2.gz JETMVJGRZGBAOZ-NXHRZFHOSA-N 2 2 368.522 0.774 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264556235 488685171 /nfs/dbraw/zinc/68/51/71/488685171.db2.gz DOXQQKMZTAQORA-INIZCTEOSA-N 2 2 374.489 0.821 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264556235 488685173 /nfs/dbraw/zinc/68/51/73/488685173.db2.gz DOXQQKMZTAQORA-INIZCTEOSA-N 2 2 374.489 0.821 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](CO)c3cnn(C)c3)CC2)c1 ZINC000274130428 488685400 /nfs/dbraw/zinc/68/54/00/488685400.db2.gz WCIWOFUEQZTBET-IBGZPJMESA-N 2 2 371.485 0.696 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060179 488686174 /nfs/dbraw/zinc/68/61/74/488686174.db2.gz GDQKUOOMRIBKGK-WMZOPIPTSA-N 2 2 374.485 0.583 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060179 488686177 /nfs/dbraw/zinc/68/61/77/488686177.db2.gz GDQKUOOMRIBKGK-WMZOPIPTSA-N 2 2 374.485 0.583 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060179 488686178 /nfs/dbraw/zinc/68/61/78/488686178.db2.gz GDQKUOOMRIBKGK-WMZOPIPTSA-N 2 2 374.485 0.583 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060179 488686180 /nfs/dbraw/zinc/68/61/80/488686180.db2.gz GDQKUOOMRIBKGK-WMZOPIPTSA-N 2 2 374.485 0.583 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038242 488686372 /nfs/dbraw/zinc/68/63/72/488686372.db2.gz PXXSKKKRIZBAHZ-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038242 488686373 /nfs/dbraw/zinc/68/63/73/488686373.db2.gz PXXSKKKRIZBAHZ-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038242 488686374 /nfs/dbraw/zinc/68/63/74/488686374.db2.gz PXXSKKKRIZBAHZ-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038242 488686375 /nfs/dbraw/zinc/68/63/75/488686375.db2.gz PXXSKKKRIZBAHZ-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC12CCOCC2 ZINC000563116079 491217717 /nfs/dbraw/zinc/21/77/17/491217717.db2.gz CWWFJDLUPJEQSW-KRWDZBQOSA-N 2 2 373.501 0.418 20 0 FCADLP Cc1cccc(C)c1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000150991785 488701389 /nfs/dbraw/zinc/70/13/89/488701389.db2.gz KUDDSJPMLYEKRG-UHFFFAOYSA-N 2 2 366.531 0.913 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000264735147 488704678 /nfs/dbraw/zinc/70/46/78/488704678.db2.gz FSRHGMKYCQSQMQ-IBGZPJMESA-N 2 2 360.502 0.766 20 0 FCADLP CC(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000563083393 491214146 /nfs/dbraw/zinc/21/41/46/491214146.db2.gz KFFWZSBUJPLLSL-UHFFFAOYSA-N 2 2 374.485 0.334 20 0 FCADLP CC(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000563083393 491214150 /nfs/dbraw/zinc/21/41/50/491214150.db2.gz KFFWZSBUJPLLSL-UHFFFAOYSA-N 2 2 374.485 0.334 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000152609348 488720584 /nfs/dbraw/zinc/72/05/84/488720584.db2.gz QDBGEIWQMWMABI-INIZCTEOSA-N 2 2 368.441 0.646 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000152609348 488720587 /nfs/dbraw/zinc/72/05/87/488720587.db2.gz QDBGEIWQMWMABI-INIZCTEOSA-N 2 2 368.441 0.646 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616829 488723460 /nfs/dbraw/zinc/72/34/60/488723460.db2.gz QENDKQAOABQOPC-MSOLQXFVSA-N 2 2 373.501 0.941 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616829 488723462 /nfs/dbraw/zinc/72/34/62/488723462.db2.gz QENDKQAOABQOPC-MSOLQXFVSA-N 2 2 373.501 0.941 20 0 FCADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000274647103 488724978 /nfs/dbraw/zinc/72/49/78/488724978.db2.gz KTSQBZJILOSBRV-WMLDXEAASA-N 2 2 372.469 0.991 20 0 FCADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000274647103 488724981 /nfs/dbraw/zinc/72/49/81/488724981.db2.gz KTSQBZJILOSBRV-WMLDXEAASA-N 2 2 372.469 0.991 20 0 FCADLP COC(C[N@H+](CCCO)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)OC ZINC000274681547 488727348 /nfs/dbraw/zinc/72/73/48/488727348.db2.gz XBSPVORUFDBRSH-QGZVFWFLSA-N 2 2 367.490 0.709 20 0 FCADLP COC(C[N@@H+](CCCO)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)OC ZINC000274681547 488727349 /nfs/dbraw/zinc/72/73/49/488727349.db2.gz XBSPVORUFDBRSH-QGZVFWFLSA-N 2 2 367.490 0.709 20 0 FCADLP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000153470754 488731619 /nfs/dbraw/zinc/73/16/19/488731619.db2.gz RPVAMDRMWFAKDG-HNAYVOBHSA-N 2 2 366.481 0.765 20 0 FCADLP CN1CCN(c2cc(N3CC[C@H](C4CC[NH+](C)CC4)C3)[nH+]cn2)CC1=O ZINC000274822254 488735826 /nfs/dbraw/zinc/73/58/26/488735826.db2.gz BTPZWXRXGKGKFR-INIZCTEOSA-N 2 2 358.490 0.923 20 0 FCADLP CN1CCN(c2cc(N3CC[C@H](C4CC[NH+](C)CC4)C3)nc[nH+]2)CC1=O ZINC000274822254 488735828 /nfs/dbraw/zinc/73/58/28/488735828.db2.gz BTPZWXRXGKGKFR-INIZCTEOSA-N 2 2 358.490 0.923 20 0 FCADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266934638 488745611 /nfs/dbraw/zinc/74/56/11/488745611.db2.gz PNZZYCYCOFVOQA-GJZGRUSLSA-N 2 2 362.478 0.947 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266934637 488745755 /nfs/dbraw/zinc/74/57/55/488745755.db2.gz PNZZYCYCOFVOQA-CABCVRRESA-N 2 2 362.478 0.947 20 0 FCADLP CN1CCN(c2cc(NC[C@]3([NH+](C)C)CCSC3)nc[nH+]2)CC1=O ZINC000274976583 488749637 /nfs/dbraw/zinc/74/96/37/488749637.db2.gz YSBOBVKZUXGPNM-MRXNPFEDSA-N 2 2 350.492 0.604 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000155093603 488751170 /nfs/dbraw/zinc/75/11/70/488751170.db2.gz RGUJERMFZJHQBV-BRWVUGGUSA-N 2 2 354.495 0.458 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000155093603 488751171 /nfs/dbraw/zinc/75/11/71/488751171.db2.gz RGUJERMFZJHQBV-BRWVUGGUSA-N 2 2 354.495 0.458 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000155980887 488760710 /nfs/dbraw/zinc/76/07/10/488760710.db2.gz TYZUARAOTLSRQW-MRXNPFEDSA-N 2 2 369.473 0.564 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155981010 488760872 /nfs/dbraw/zinc/76/08/72/488760872.db2.gz TYZUARAOTLSRQW-INIZCTEOSA-N 2 2 369.473 0.564 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000156542301 488765943 /nfs/dbraw/zinc/76/59/43/488765943.db2.gz OPTKIWMLIYQRHF-SFHVURJKSA-N 2 2 373.501 0.921 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000156542301 488765945 /nfs/dbraw/zinc/76/59/45/488765945.db2.gz OPTKIWMLIYQRHF-SFHVURJKSA-N 2 2 373.501 0.921 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000267206050 488769572 /nfs/dbraw/zinc/76/95/72/488769572.db2.gz DWZQXARWJOJJKC-UHFFFAOYSA-N 2 2 371.485 0.929 20 0 FCADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000554721916 491221279 /nfs/dbraw/zinc/22/12/79/491221279.db2.gz UJMJKQFWSBNHSM-GJZGRUSLSA-N 2 2 356.430 0.764 20 0 FCADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000554721917 491221313 /nfs/dbraw/zinc/22/13/13/491221313.db2.gz UJMJKQFWSBNHSM-HUUCEWRRSA-N 2 2 356.430 0.764 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000563131684 491218551 /nfs/dbraw/zinc/21/85/51/491218551.db2.gz DWZWKYOLKSBMGK-ZDUSSCGKSA-N 2 2 371.528 0.795 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000563131684 491218553 /nfs/dbraw/zinc/21/85/53/491218553.db2.gz DWZWKYOLKSBMGK-ZDUSSCGKSA-N 2 2 371.528 0.795 20 0 FCADLP C[N@@H+]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000162270312 488801587 /nfs/dbraw/zinc/80/15/87/488801587.db2.gz ZHOHLLRIOPRTNG-LJQANCHMSA-N 2 2 372.513 0.959 20 0 FCADLP C[N@H+]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000162270312 488801590 /nfs/dbraw/zinc/80/15/90/488801590.db2.gz ZHOHLLRIOPRTNG-LJQANCHMSA-N 2 2 372.513 0.959 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162443039 488802586 /nfs/dbraw/zinc/80/25/86/488802586.db2.gz KGTPESYBNDSVNL-MSOLQXFVSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162443039 488802589 /nfs/dbraw/zinc/80/25/89/488802589.db2.gz KGTPESYBNDSVNL-MSOLQXFVSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162573423 488803480 /nfs/dbraw/zinc/80/34/80/488803480.db2.gz NLTUQDIUAICXDY-HNNXBMFYSA-N 2 2 366.487 0.250 20 0 FCADLP Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162573423 488803481 /nfs/dbraw/zinc/80/34/81/488803481.db2.gz NLTUQDIUAICXDY-HNNXBMFYSA-N 2 2 366.487 0.250 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2C1 ZINC000163739771 488809188 /nfs/dbraw/zinc/80/91/88/488809188.db2.gz OCHVPNXVSIDOJJ-SFHVURJKSA-N 2 2 372.469 0.894 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2C1 ZINC000163739771 488809190 /nfs/dbraw/zinc/80/91/90/488809190.db2.gz OCHVPNXVSIDOJJ-SFHVURJKSA-N 2 2 372.469 0.894 20 0 FCADLP [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000168288410 488812559 /nfs/dbraw/zinc/81/25/59/488812559.db2.gz BHELIRIAXSRRKZ-YSDSKTICSA-N 2 2 373.497 0.944 20 0 FCADLP C[C@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000171243348 488821463 /nfs/dbraw/zinc/82/14/63/488821463.db2.gz TXRGUZRSDMMHCS-IEBWSBKVSA-N 2 2 360.502 0.812 20 0 FCADLP [NH3+]CCC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1 ZINC000563155794 491223334 /nfs/dbraw/zinc/22/33/34/491223334.db2.gz JGOQIEDSBAIIEH-UHFFFAOYSA-N 2 2 368.485 0.976 20 0 FCADLP [NH3+]CCC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1 ZINC000563155794 491223336 /nfs/dbraw/zinc/22/33/36/491223336.db2.gz JGOQIEDSBAIIEH-UHFFFAOYSA-N 2 2 368.485 0.976 20 0 FCADLP O=C1C[C@@H]([NH2+]CC2=Cc3ccccc3OC2)CN1CC[NH+]1CCOCC1 ZINC000172697349 488836637 /nfs/dbraw/zinc/83/66/37/488836637.db2.gz MHVLFWCNHMFRQN-GOSISDBHSA-N 2 2 357.454 0.985 20 0 FCADLP Cn1c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nc2ccccc21 ZINC000172697750 488836802 /nfs/dbraw/zinc/83/68/02/488836802.db2.gz CLBXPIWBKAYPJH-OAHLLOKOSA-N 2 2 357.458 0.596 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000173164164 488841430 /nfs/dbraw/zinc/84/14/30/488841430.db2.gz BSASWORVIMHVLC-UHFFFAOYSA-N 2 2 361.490 0.119 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174197589 488847903 /nfs/dbraw/zinc/84/79/03/488847903.db2.gz OHVGWQMFSJFFKK-GOSISDBHSA-N 2 2 373.501 0.384 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000174246544 488848068 /nfs/dbraw/zinc/84/80/68/488848068.db2.gz ZFVSEKITHWFQFN-QGZVFWFLSA-N 2 2 355.527 0.375 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)NCC[NH+]3CCOCC3)CC2)c1 ZINC000174381103 488848969 /nfs/dbraw/zinc/84/89/69/488848969.db2.gz JYISLFVSHSMZEE-UHFFFAOYSA-N 2 2 360.502 0.956 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000174545703 488849685 /nfs/dbraw/zinc/84/96/85/488849685.db2.gz BSCNLTFQFOCTSZ-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000174545703 488849686 /nfs/dbraw/zinc/84/96/86/488849686.db2.gz BSCNLTFQFOCTSZ-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000174545703 488849687 /nfs/dbraw/zinc/84/96/87/488849687.db2.gz BSCNLTFQFOCTSZ-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000174545703 488849688 /nfs/dbraw/zinc/84/96/88/488849688.db2.gz BSCNLTFQFOCTSZ-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612915 488850160 /nfs/dbraw/zinc/85/01/60/488850160.db2.gz LENIJKNAHOXPDP-GOSISDBHSA-N 2 2 364.465 0.785 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612915 488850161 /nfs/dbraw/zinc/85/01/61/488850161.db2.gz LENIJKNAHOXPDP-GOSISDBHSA-N 2 2 364.465 0.785 20 0 FCADLP COCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000175684695 488855047 /nfs/dbraw/zinc/85/50/47/488855047.db2.gz GOQLFGKFQBKLQR-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000175817361 488855874 /nfs/dbraw/zinc/85/58/74/488855874.db2.gz DTTUGIHMGBXKJO-KURKYZTESA-N 2 2 367.538 0.232 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000175817361 488855875 /nfs/dbraw/zinc/85/58/75/488855875.db2.gz DTTUGIHMGBXKJO-KURKYZTESA-N 2 2 367.538 0.232 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[NH+]1CCCC1 ZINC000178295043 488860310 /nfs/dbraw/zinc/86/03/10/488860310.db2.gz VTSHZXJVSJHKHV-UHFFFAOYSA-N 2 2 359.474 0.722 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(Cn2ccnn2)CC1)[NH+]1CCOCC1 ZINC000179034770 488860858 /nfs/dbraw/zinc/86/08/58/488860858.db2.gz DEZLKQUJXOFXGR-UHFFFAOYSA-N 2 2 364.494 0.217 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000179444716 488861264 /nfs/dbraw/zinc/86/12/64/488861264.db2.gz UUNBNCIUNKBUIC-AEFFLSMTSA-N 2 2 373.501 0.919 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000179444716 488861265 /nfs/dbraw/zinc/86/12/65/488861265.db2.gz UUNBNCIUNKBUIC-AEFFLSMTSA-N 2 2 373.501 0.919 20 0 FCADLP O=C(C[NH2+]C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166436 488864098 /nfs/dbraw/zinc/86/40/98/488864098.db2.gz IDZPVDZXOUSHKY-HNNXBMFYSA-N 2 2 360.462 0.150 20 0 FCADLP O=C(C[NH2+]C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166436 488864099 /nfs/dbraw/zinc/86/40/99/488864099.db2.gz IDZPVDZXOUSHKY-HNNXBMFYSA-N 2 2 360.462 0.150 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329202005 488980298 /nfs/dbraw/zinc/98/02/98/488980298.db2.gz WUTRQFPJQCHZDL-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329202005 488980302 /nfs/dbraw/zinc/98/03/02/488980302.db2.gz WUTRQFPJQCHZDL-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCN1CC[NH+](C)CC1 ZINC000280034978 488981357 /nfs/dbraw/zinc/98/13/57/488981357.db2.gz UYEFWRSLVLIEQV-UHFFFAOYSA-N 2 2 351.401 0.987 20 0 FCADLP COCCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642400 488981513 /nfs/dbraw/zinc/98/15/13/488981513.db2.gz RASGNYQLXCXFSL-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP COCCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642400 488981516 /nfs/dbraw/zinc/98/15/16/488981516.db2.gz RASGNYQLXCXFSL-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC(=O)N(C)C3=O)CC2)CC1 ZINC000329211275 488981583 /nfs/dbraw/zinc/98/15/83/488981583.db2.gz GYCWLXIRBKXHQC-OAHLLOKOSA-N 2 2 350.463 0.010 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000288541197 488990680 /nfs/dbraw/zinc/99/06/80/488990680.db2.gz AGPKAAMRCZFPTM-GOSISDBHSA-N 2 2 358.486 0.639 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000329342674 488995588 /nfs/dbraw/zinc/99/55/88/488995588.db2.gz PRTBIFOKGCNSNT-WBVHZDCISA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000329342674 488995591 /nfs/dbraw/zinc/99/55/91/488995591.db2.gz PRTBIFOKGCNSNT-WBVHZDCISA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342674 488995594 /nfs/dbraw/zinc/99/55/94/488995594.db2.gz PRTBIFOKGCNSNT-WBVHZDCISA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342674 488995596 /nfs/dbraw/zinc/99/55/96/488995596.db2.gz PRTBIFOKGCNSNT-WBVHZDCISA-N 2 2 353.507 0.933 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4c3cccc4F)C2)CC1 ZINC000364760441 488998379 /nfs/dbraw/zinc/99/83/79/488998379.db2.gz VWKWRZRBGQWTDJ-AWEZNQCLSA-N 2 2 374.460 1.000 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4c3cccc4F)C2)CC1 ZINC000364760441 488998382 /nfs/dbraw/zinc/99/83/82/488998382.db2.gz VWKWRZRBGQWTDJ-AWEZNQCLSA-N 2 2 374.460 1.000 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(C)(CO)CO ZINC000364765706 488999438 /nfs/dbraw/zinc/99/94/38/488999438.db2.gz YCFSYVDMJYDWQG-UHFFFAOYSA-N 2 2 371.522 0.060 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(C)(CO)CO ZINC000364765706 488999442 /nfs/dbraw/zinc/99/94/42/488999442.db2.gz YCFSYVDMJYDWQG-UHFFFAOYSA-N 2 2 371.522 0.060 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509100 489011109 /nfs/dbraw/zinc/01/11/09/489011109.db2.gz JONJWUMCOHVJPL-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509100 489011112 /nfs/dbraw/zinc/01/11/12/489011112.db2.gz JONJWUMCOHVJPL-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509100 489011114 /nfs/dbraw/zinc/01/11/14/489011114.db2.gz JONJWUMCOHVJPL-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509100 489011116 /nfs/dbraw/zinc/01/11/16/489011116.db2.gz JONJWUMCOHVJPL-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@]1(F)CC[NH2+]C1 ZINC000364866063 489011643 /nfs/dbraw/zinc/01/16/43/489011643.db2.gz MVMBNZQFALMNHO-GOSISDBHSA-N 2 2 351.422 0.715 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@](C)(C(N)=O)C3)CC2)cc1 ZINC000280496942 489013643 /nfs/dbraw/zinc/01/36/43/489013643.db2.gz BSJDJAMEGDBELF-FQEVSTJZSA-N 2 2 374.485 0.537 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@](C)(C(N)=O)C3)CC2)cc1 ZINC000280496942 489013645 /nfs/dbraw/zinc/01/36/45/489013645.db2.gz BSJDJAMEGDBELF-FQEVSTJZSA-N 2 2 374.485 0.537 20 0 FCADLP CN(C(=O)Cc1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329554016 489015769 /nfs/dbraw/zinc/01/57/69/489015769.db2.gz KIALYDSWDXPZPE-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911796 489017201 /nfs/dbraw/zinc/01/72/01/489017201.db2.gz IHQAGKIDNKIFCN-CVEARBPZSA-N 2 2 368.503 0.029 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911796 489017204 /nfs/dbraw/zinc/01/72/04/489017204.db2.gz IHQAGKIDNKIFCN-CVEARBPZSA-N 2 2 368.503 0.029 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929891 489029583 /nfs/dbraw/zinc/02/95/83/489029583.db2.gz DWRGPHOVQPVOQK-ZBFHGGJFSA-N 2 2 357.458 0.329 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929891 489029587 /nfs/dbraw/zinc/02/95/87/489029587.db2.gz DWRGPHOVQPVOQK-ZBFHGGJFSA-N 2 2 357.458 0.329 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278347 491229631 /nfs/dbraw/zinc/22/96/31/491229631.db2.gz AJKRPWLBTSDHKJ-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278347 491229634 /nfs/dbraw/zinc/22/96/34/491229634.db2.gz AJKRPWLBTSDHKJ-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289113817 489042636 /nfs/dbraw/zinc/04/26/36/489042636.db2.gz GRGUPVHJOHAKDF-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289113817 489042640 /nfs/dbraw/zinc/04/26/40/489042640.db2.gz GRGUPVHJOHAKDF-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329907820 489048333 /nfs/dbraw/zinc/04/83/33/489048333.db2.gz LEPREODDWLEHKX-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000281069615 489051052 /nfs/dbraw/zinc/05/10/52/489051052.db2.gz MPFQBYCNYDTTEE-UHFFFAOYSA-N 2 2 373.457 0.126 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000289241366 489051774 /nfs/dbraw/zinc/05/17/74/489051774.db2.gz PJSMRMVSJLDWKI-UHFFFAOYSA-N 2 2 373.457 0.256 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000289241366 489051776 /nfs/dbraw/zinc/05/17/76/489051776.db2.gz PJSMRMVSJLDWKI-UHFFFAOYSA-N 2 2 373.457 0.256 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281039 489055540 /nfs/dbraw/zinc/05/55/40/489055540.db2.gz SRARVKZZMJIXAT-HZPDHXFCSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281039 489055542 /nfs/dbraw/zinc/05/55/42/489055542.db2.gz SRARVKZZMJIXAT-HZPDHXFCSA-N 2 2 355.442 0.893 20 0 FCADLP C[C@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329984789 489058116 /nfs/dbraw/zinc/05/81/16/489058116.db2.gz CPTHJYZOEUUVHL-HOTGVXAUSA-N 2 2 368.503 0.548 20 0 FCADLP C[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000365327475 489064480 /nfs/dbraw/zinc/06/44/80/489064480.db2.gz OUEAZKVJEKXLGQ-BZSNNMDCSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000330074208 489066683 /nfs/dbraw/zinc/06/66/83/489066683.db2.gz FOBQWMPCKWPBII-WBVHZDCISA-N 2 2 366.506 0.251 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773276 489091896 /nfs/dbraw/zinc/09/18/96/489091896.db2.gz KMKUIXIUCIFYBX-UXHICEINSA-N 2 2 372.513 0.865 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773276 489091899 /nfs/dbraw/zinc/09/18/99/489091899.db2.gz KMKUIXIUCIFYBX-UXHICEINSA-N 2 2 372.513 0.865 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)CC2)C1 ZINC000365622415 489094244 /nfs/dbraw/zinc/09/42/44/489094244.db2.gz XRRKFZUUPVBTHJ-KRWDZBQOSA-N 2 2 365.522 0.273 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)CC2)C1 ZINC000365622415 489094248 /nfs/dbraw/zinc/09/42/48/489094248.db2.gz XRRKFZUUPVBTHJ-KRWDZBQOSA-N 2 2 365.522 0.273 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H](C[NH3+])OC)CC2)cc(OC)c1OC ZINC000290069354 489111915 /nfs/dbraw/zinc/11/19/15/489111915.db2.gz IFJHMJCNPVQZBC-INIZCTEOSA-N 2 2 367.446 0.330 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1(C)C ZINC000281876137 489113167 /nfs/dbraw/zinc/11/31/67/489113167.db2.gz WVOUCFAADRGGDM-UHFFFAOYSA-N 2 2 374.533 0.346 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1(C)C ZINC000281876137 489113171 /nfs/dbraw/zinc/11/31/71/489113171.db2.gz WVOUCFAADRGGDM-UHFFFAOYSA-N 2 2 374.533 0.346 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000563266243 491234077 /nfs/dbraw/zinc/23/40/77/491234077.db2.gz ICPZUSAIDFGFGL-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000290275895 489126644 /nfs/dbraw/zinc/12/66/44/489126644.db2.gz ALWJSCZSWDAZSK-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000290320859 489131084 /nfs/dbraw/zinc/13/10/84/489131084.db2.gz DKCFXYZFLHOABZ-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415905 489138148 /nfs/dbraw/zinc/13/81/48/489138148.db2.gz JJSADDJFZSOVGC-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415905 489138149 /nfs/dbraw/zinc/13/81/49/489138149.db2.gz JJSADDJFZSOVGC-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)CC1 ZINC000366053846 489139427 /nfs/dbraw/zinc/13/94/27/489139427.db2.gz TUJDDZUPRBOAHM-PMACEKPBSA-N 2 2 372.513 0.908 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290465518 489142357 /nfs/dbraw/zinc/14/23/57/489142357.db2.gz LNCSWYGWFSZSMZ-INIZCTEOSA-N 2 2 359.474 0.577 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499170 489144702 /nfs/dbraw/zinc/14/47/02/489144702.db2.gz MVRRLRPQQRARDX-OWCLPIDISA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499170 489144705 /nfs/dbraw/zinc/14/47/05/489144705.db2.gz MVRRLRPQQRARDX-OWCLPIDISA-N 2 2 359.474 0.575 20 0 FCADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000290612197 489153194 /nfs/dbraw/zinc/15/31/94/489153194.db2.gz HYZLLJVOLUNMOI-GOEBONIOSA-N 2 2 363.458 0.985 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1(C)C ZINC000282343768 489155651 /nfs/dbraw/zinc/15/56/51/489155651.db2.gz UJBZDTSIFCSNSO-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1(C)C ZINC000282343768 489155655 /nfs/dbraw/zinc/15/56/55/489155655.db2.gz UJBZDTSIFCSNSO-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@H+](C)CC1 ZINC000290760113 489163541 /nfs/dbraw/zinc/16/35/41/489163541.db2.gz ZUSLXZLAIADBSR-HOCLYGCPSA-N 2 2 357.458 0.543 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@@H+](C)CC1 ZINC000290760113 489163543 /nfs/dbraw/zinc/16/35/43/489163543.db2.gz ZUSLXZLAIADBSR-HOCLYGCPSA-N 2 2 357.458 0.543 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)CC1 ZINC000282550063 489174200 /nfs/dbraw/zinc/17/42/00/489174200.db2.gz SHCZQMWLRADWKC-UHFFFAOYSA-N 2 2 371.407 0.785 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458551 489184408 /nfs/dbraw/zinc/18/44/08/489184408.db2.gz DJFNAUVYBGIBHG-ZBFHGGJFSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458551 489184410 /nfs/dbraw/zinc/18/44/10/489184410.db2.gz DJFNAUVYBGIBHG-ZBFHGGJFSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458551 489184411 /nfs/dbraw/zinc/18/44/11/489184411.db2.gz DJFNAUVYBGIBHG-ZBFHGGJFSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458551 489184412 /nfs/dbraw/zinc/18/44/12/489184412.db2.gz DJFNAUVYBGIBHG-ZBFHGGJFSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458547 489184495 /nfs/dbraw/zinc/18/44/95/489184495.db2.gz DJFNAUVYBGIBHG-HOCLYGCPSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458547 489184496 /nfs/dbraw/zinc/18/44/96/489184496.db2.gz DJFNAUVYBGIBHG-HOCLYGCPSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458547 489184499 /nfs/dbraw/zinc/18/44/99/489184499.db2.gz DJFNAUVYBGIBHG-HOCLYGCPSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000366458547 489184501 /nfs/dbraw/zinc/18/45/01/489184501.db2.gz DJFNAUVYBGIBHG-HOCLYGCPSA-N 2 2 368.478 0.128 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366500232 489189445 /nfs/dbraw/zinc/18/94/45/489189445.db2.gz CBVKSDPWWGFHQW-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366500232 489189446 /nfs/dbraw/zinc/18/94/46/489189446.db2.gz CBVKSDPWWGFHQW-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000282833780 489193261 /nfs/dbraw/zinc/19/32/61/489193261.db2.gz AOZCHTRFZHHOAN-IOASZLSFSA-N 2 2 365.478 0.461 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000282833780 489193264 /nfs/dbraw/zinc/19/32/64/489193264.db2.gz AOZCHTRFZHHOAN-IOASZLSFSA-N 2 2 365.478 0.461 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cn1 ZINC000366579873 489196693 /nfs/dbraw/zinc/19/66/93/489196693.db2.gz XDVSRTRVSPTNPU-UHFFFAOYSA-N 2 2 354.414 0.892 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cn1 ZINC000366579873 489196697 /nfs/dbraw/zinc/19/66/97/489196697.db2.gz XDVSRTRVSPTNPU-UHFFFAOYSA-N 2 2 354.414 0.892 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000563351057 491238584 /nfs/dbraw/zinc/23/85/84/491238584.db2.gz VKFFUISUPAUNTD-HNNXBMFYSA-N 2 2 355.446 0.348 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000563351057 491238585 /nfs/dbraw/zinc/23/85/85/491238585.db2.gz VKFFUISUPAUNTD-HNNXBMFYSA-N 2 2 355.446 0.348 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438377 489211342 /nfs/dbraw/zinc/21/13/42/489211342.db2.gz XBAPVIMNVCHSCA-TWMKSMIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438377 489211344 /nfs/dbraw/zinc/21/13/44/489211344.db2.gz XBAPVIMNVCHSCA-TWMKSMIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438377 489211346 /nfs/dbraw/zinc/21/13/46/489211346.db2.gz XBAPVIMNVCHSCA-TWMKSMIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438377 489211348 /nfs/dbraw/zinc/21/13/48/489211348.db2.gz XBAPVIMNVCHSCA-TWMKSMIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283063879 489211658 /nfs/dbraw/zinc/21/16/58/489211658.db2.gz BEMZKSZWIKOYEV-GASCZTMLSA-N 2 2 351.451 0.005 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283063879 489211660 /nfs/dbraw/zinc/21/16/60/489211660.db2.gz BEMZKSZWIKOYEV-GASCZTMLSA-N 2 2 351.451 0.005 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000563374714 491239821 /nfs/dbraw/zinc/23/98/21/491239821.db2.gz VNCFWEKRMGEMJH-UKPHBRMFSA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000563374714 491239823 /nfs/dbraw/zinc/23/98/23/491239823.db2.gz VNCFWEKRMGEMJH-UKPHBRMFSA-N 2 2 362.478 0.721 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000283225578 489230217 /nfs/dbraw/zinc/23/02/17/489230217.db2.gz ACSXHXJNFNMFOD-MRXNPFEDSA-N 2 2 373.501 0.887 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000283253850 489234159 /nfs/dbraw/zinc/23/41/59/489234159.db2.gz MCEHMJZOHNVLIE-NVXWUHKLSA-N 2 2 359.474 0.865 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000283253850 489234162 /nfs/dbraw/zinc/23/41/62/489234162.db2.gz MCEHMJZOHNVLIE-NVXWUHKLSA-N 2 2 359.474 0.865 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283291062 489239753 /nfs/dbraw/zinc/23/97/53/489239753.db2.gz OUHXBSPYYUWNJK-GJZGRUSLSA-N 2 2 365.478 0.393 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000283305418 489242065 /nfs/dbraw/zinc/24/20/65/489242065.db2.gz DAVWNCFIQYTJFM-OKILXGFUSA-N 2 2 365.478 0.383 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000283305418 489242068 /nfs/dbraw/zinc/24/20/68/489242068.db2.gz DAVWNCFIQYTJFM-OKILXGFUSA-N 2 2 365.478 0.383 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283305248 489242286 /nfs/dbraw/zinc/24/22/86/489242286.db2.gz AFFRDRBQDSZJKY-HNNXBMFYSA-N 2 2 357.458 0.793 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283305248 489242288 /nfs/dbraw/zinc/24/22/88/489242288.db2.gz AFFRDRBQDSZJKY-HNNXBMFYSA-N 2 2 357.458 0.793 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000283324577 489245134 /nfs/dbraw/zinc/24/51/34/489245134.db2.gz CEYQUPYPZRZEPB-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@@H](c2ccccc2)C1 ZINC000297823418 489246788 /nfs/dbraw/zinc/24/67/88/489246788.db2.gz LSTKVSIAJJTICI-RBUKOAKNSA-N 2 2 368.481 0.974 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@@H](c2ccccc2)C1 ZINC000297823418 489246791 /nfs/dbraw/zinc/24/67/91/489246791.db2.gz LSTKVSIAJJTICI-RBUKOAKNSA-N 2 2 368.481 0.974 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570451196 491241596 /nfs/dbraw/zinc/24/15/96/491241596.db2.gz IIRMYOBVLZAXPI-QEJZJMRPSA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570451196 491241598 /nfs/dbraw/zinc/24/15/98/491241598.db2.gz IIRMYOBVLZAXPI-QEJZJMRPSA-N 2 2 366.487 0.640 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)C2 ZINC000297850547 489251996 /nfs/dbraw/zinc/25/19/96/489251996.db2.gz VFWHMLPDRWBSDF-BBRMVZONSA-N 2 2 361.490 0.837 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000332969813 489252254 /nfs/dbraw/zinc/25/22/54/489252254.db2.gz ABPPTNJAXLPGRJ-IRXDYDNUSA-N 2 2 368.522 0.774 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000332969813 489252256 /nfs/dbraw/zinc/25/22/56/489252256.db2.gz ABPPTNJAXLPGRJ-IRXDYDNUSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297853158 489252483 /nfs/dbraw/zinc/25/24/83/489252483.db2.gz MNKPURQQCCQJQD-HXUWFJFHSA-N 2 2 371.485 0.675 20 0 FCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297853158 489252486 /nfs/dbraw/zinc/25/24/86/489252486.db2.gz MNKPURQQCCQJQD-HXUWFJFHSA-N 2 2 371.485 0.675 20 0 FCADLP CNC(=O)[C@@]1(C)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000333009969 489255985 /nfs/dbraw/zinc/25/59/85/489255985.db2.gz VDTBIEDSAPDHTM-IBGZPJMESA-N 2 2 365.522 0.713 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297893349 489258733 /nfs/dbraw/zinc/25/87/33/489258733.db2.gz PMXUJAOTRBHDMK-UHFFFAOYSA-N 2 2 359.474 0.673 20 0 FCADLP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333981680 489264105 /nfs/dbraw/zinc/26/41/05/489264105.db2.gz AVTMHZZBIUQRCG-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333981680 489264107 /nfs/dbraw/zinc/26/41/07/489264107.db2.gz AVTMHZZBIUQRCG-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000334009784 489266444 /nfs/dbraw/zinc/26/64/44/489266444.db2.gz VJQLTYWYMHZLAB-XMTFNYHQSA-N 2 2 366.506 0.527 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000334009784 489266446 /nfs/dbraw/zinc/26/64/46/489266446.db2.gz VJQLTYWYMHZLAB-XMTFNYHQSA-N 2 2 366.506 0.527 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000369700106 489266560 /nfs/dbraw/zinc/26/65/60/489266560.db2.gz MGVZDLQSOMHKMY-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297966217 489269785 /nfs/dbraw/zinc/26/97/85/489269785.db2.gz VVQNROQVDMNXRF-INIZCTEOSA-N 2 2 359.474 0.530 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297966217 489269789 /nfs/dbraw/zinc/26/97/89/489269789.db2.gz VVQNROQVDMNXRF-INIZCTEOSA-N 2 2 359.474 0.530 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000283551442 489274309 /nfs/dbraw/zinc/27/43/09/489274309.db2.gz LHAPCBPLTXCAJN-GOSISDBHSA-N 2 2 374.485 0.340 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000283551442 489274311 /nfs/dbraw/zinc/27/43/11/489274311.db2.gz LHAPCBPLTXCAJN-GOSISDBHSA-N 2 2 374.485 0.340 20 0 FCADLP CC(C)[N@H+](CCOCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000283668697 489288940 /nfs/dbraw/zinc/28/89/40/489288940.db2.gz FXIRTBGHXHLCGZ-UHFFFAOYSA-N 2 2 364.490 0.840 20 0 FCADLP CC(C)[N@@H+](CCOCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000283668697 489288942 /nfs/dbraw/zinc/28/89/42/489288942.db2.gz FXIRTBGHXHLCGZ-UHFFFAOYSA-N 2 2 364.490 0.840 20 0 FCADLP Cn1cc(C[C@H]2CC[N@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)cn1 ZINC000370009480 489303316 /nfs/dbraw/zinc/30/33/16/489303316.db2.gz NHHOYPWJNLQQDE-MRXNPFEDSA-N 2 2 363.506 0.512 20 0 FCADLP Cn1cc(C[C@H]2CC[N@@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)cn1 ZINC000370009480 489303318 /nfs/dbraw/zinc/30/33/18/489303318.db2.gz NHHOYPWJNLQQDE-MRXNPFEDSA-N 2 2 363.506 0.512 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284241468 489304199 /nfs/dbraw/zinc/30/41/99/489304199.db2.gz FTTOGFKULWROGH-DOTOQJQBSA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284241468 489304202 /nfs/dbraw/zinc/30/42/02/489304202.db2.gz FTTOGFKULWROGH-DOTOQJQBSA-N 2 2 369.469 0.936 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284243586 489304977 /nfs/dbraw/zinc/30/49/77/489304977.db2.gz YVJJXHNDLXPALM-DOTOQJQBSA-N 2 2 362.474 0.242 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)[nH+]c2c1 ZINC000284261042 489307569 /nfs/dbraw/zinc/30/75/69/489307569.db2.gz AKKPPJJPDPDSJO-UHFFFAOYSA-N 2 2 355.442 0.956 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000370069813 489313405 /nfs/dbraw/zinc/31/34/05/489313405.db2.gz KMFSNTHAPGUYIS-QZTJIDSGSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000370069813 489313406 /nfs/dbraw/zinc/31/34/06/489313406.db2.gz KMFSNTHAPGUYIS-QZTJIDSGSA-N 2 2 368.522 0.994 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000570550218 491248675 /nfs/dbraw/zinc/24/86/75/491248675.db2.gz OWARHESXRGGBRM-GJZGRUSLSA-N 2 2 354.495 0.189 20 0 FCADLP CCOC(=O)COc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563429594 491244067 /nfs/dbraw/zinc/24/40/67/491244067.db2.gz QHZDWLHUDMMCQJ-AWEZNQCLSA-N 2 2 350.419 0.735 20 0 FCADLP CCOC(=O)COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563429594 491244069 /nfs/dbraw/zinc/24/40/69/491244069.db2.gz QHZDWLHUDMMCQJ-AWEZNQCLSA-N 2 2 350.419 0.735 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000285975344 489340852 /nfs/dbraw/zinc/34/08/52/489340852.db2.gz NYCZAHRHYNTLPD-AEFFLSMTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000285975344 489340854 /nfs/dbraw/zinc/34/08/54/489340854.db2.gz NYCZAHRHYNTLPD-AEFFLSMTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000285975344 489340856 /nfs/dbraw/zinc/34/08/56/489340856.db2.gz NYCZAHRHYNTLPD-AEFFLSMTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000285975344 489340859 /nfs/dbraw/zinc/34/08/59/489340859.db2.gz NYCZAHRHYNTLPD-AEFFLSMTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000350672681 489344192 /nfs/dbraw/zinc/34/41/92/489344192.db2.gz LJWSICLWKMPDSY-QLFBSQMISA-N 2 2 365.478 0.994 20 0 FCADLP C[C@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000350672681 489344194 /nfs/dbraw/zinc/34/41/94/489344194.db2.gz LJWSICLWKMPDSY-QLFBSQMISA-N 2 2 365.478 0.994 20 0 FCADLP O=C1CNC(=O)N1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286041655 489349915 /nfs/dbraw/zinc/34/99/15/489349915.db2.gz QTSFZJRFAZTJBF-GOSISDBHSA-N 2 2 371.485 0.430 20 0 FCADLP O=C1CNC(=O)N1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286041655 489349919 /nfs/dbraw/zinc/34/99/19/489349919.db2.gz QTSFZJRFAZTJBF-GOSISDBHSA-N 2 2 371.485 0.430 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000286392882 489387269 /nfs/dbraw/zinc/38/72/69/489387269.db2.gz BSUUKFDBDZKYHU-ROUUACIJSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000286392882 489387270 /nfs/dbraw/zinc/38/72/70/489387270.db2.gz BSUUKFDBDZKYHU-ROUUACIJSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000286392882 489387271 /nfs/dbraw/zinc/38/72/71/489387271.db2.gz BSUUKFDBDZKYHU-ROUUACIJSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000286392882 489387272 /nfs/dbraw/zinc/38/72/72/489387272.db2.gz BSUUKFDBDZKYHU-ROUUACIJSA-N 2 2 374.485 0.339 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688101 489392425 /nfs/dbraw/zinc/39/24/25/489392425.db2.gz LJDKZSXLFLDAQQ-VQTJNVASSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688101 489392426 /nfs/dbraw/zinc/39/24/26/489392426.db2.gz LJDKZSXLFLDAQQ-VQTJNVASSA-N 2 2 372.513 0.874 20 0 FCADLP COCC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000370773736 489400173 /nfs/dbraw/zinc/40/01/73/489400173.db2.gz PEXXBKVBRKTPPX-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000362896046 489403552 /nfs/dbraw/zinc/40/35/52/489403552.db2.gz GTSVCESKVJSVKE-KZNAEPCWSA-N 2 2 367.538 0.111 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254086 /nfs/dbraw/zinc/25/40/86/491254086.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000363055040 489417564 /nfs/dbraw/zinc/41/75/64/489417564.db2.gz XXXJPMFGIHFFLQ-MRXNPFEDSA-N 2 2 362.449 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000363055040 489417565 /nfs/dbraw/zinc/41/75/65/489417565.db2.gz XXXJPMFGIHFFLQ-MRXNPFEDSA-N 2 2 362.449 0.727 20 0 FCADLP Cn1cc(N2CCC[C@H]([NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)cn1 ZINC000363058712 489417655 /nfs/dbraw/zinc/41/76/55/489417655.db2.gz UZIHJNDJRPYZBV-WMZOPIPTSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1cc(N2CCC[C@H]([NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2=O)cn1 ZINC000363058712 489417657 /nfs/dbraw/zinc/41/76/57/489417657.db2.gz UZIHJNDJRPYZBV-WMZOPIPTSA-N 2 2 360.506 0.627 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254087 /nfs/dbraw/zinc/25/40/87/491254087.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254089 /nfs/dbraw/zinc/25/40/89/491254089.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626420 491254090 /nfs/dbraw/zinc/25/40/90/491254090.db2.gz MTPHBAXFYTXUPD-ICSRJNTNSA-N 3 2 374.529 0.929 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070420 489418885 /nfs/dbraw/zinc/41/88/85/489418885.db2.gz OWMYORBCIHUIIY-MSOLQXFVSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070420 489418886 /nfs/dbraw/zinc/41/88/86/489418886.db2.gz OWMYORBCIHUIIY-MSOLQXFVSA-N 2 2 359.474 0.772 20 0 FCADLP COC(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363105553 489424613 /nfs/dbraw/zinc/42/46/13/489424613.db2.gz UVYOINMBRQYURG-ZBFHGGJFSA-N 2 2 352.479 0.892 20 0 FCADLP COC(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363105553 489424616 /nfs/dbraw/zinc/42/46/16/489424616.db2.gz UVYOINMBRQYURG-ZBFHGGJFSA-N 2 2 352.479 0.892 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1C ZINC000286782066 489428641 /nfs/dbraw/zinc/42/86/41/489428641.db2.gz IRCWCRNJZPMSIK-AWEZNQCLSA-N 2 2 362.478 0.189 20 0 FCADLP COCC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363255718 489445401 /nfs/dbraw/zinc/44/54/01/489445401.db2.gz BJXLLYWQXDEXTK-YOEHRIQHSA-N 2 2 354.495 0.058 20 0 FCADLP COCC(=O)N[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363255718 489445404 /nfs/dbraw/zinc/44/54/04/489445404.db2.gz BJXLLYWQXDEXTK-YOEHRIQHSA-N 2 2 354.495 0.058 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570696227 491258279 /nfs/dbraw/zinc/25/82/79/491258279.db2.gz JVKFNBBEZOUBSV-IIDMSEBBSA-N 2 2 374.489 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570696226 491258286 /nfs/dbraw/zinc/25/82/86/491258286.db2.gz JVKFNBBEZOUBSV-HDMKZQKVSA-N 2 2 374.489 0.771 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000299507473 489448937 /nfs/dbraw/zinc/44/89/37/489448937.db2.gz ZQXGINMOJJVORI-UHFFFAOYSA-N 2 2 357.462 0.838 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3ncc4ccccc4c3=O)C2)CC1 ZINC000363339236 489454505 /nfs/dbraw/zinc/45/45/05/489454505.db2.gz SQMOBMBXMCJSTB-INIZCTEOSA-N 2 2 369.469 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3ncc4ccccc4c3=O)C2)CC1 ZINC000363339236 489454509 /nfs/dbraw/zinc/45/45/09/489454509.db2.gz SQMOBMBXMCJSTB-INIZCTEOSA-N 2 2 369.469 0.681 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287057325 489456892 /nfs/dbraw/zinc/45/68/92/489456892.db2.gz TUEKWXVWLMNUPQ-KGLIPLIRSA-N 2 2 362.478 0.188 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287057325 489456895 /nfs/dbraw/zinc/45/68/95/489456895.db2.gz TUEKWXVWLMNUPQ-KGLIPLIRSA-N 2 2 362.478 0.188 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)N1CCOCC1 ZINC000371158667 489458149 /nfs/dbraw/zinc/45/81/49/489458149.db2.gz VSDFWXSDIFYJOX-UHFFFAOYSA-N 3 2 366.550 0.973 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)N1CCOCC1 ZINC000371158667 489458151 /nfs/dbraw/zinc/45/81/51/489458151.db2.gz VSDFWXSDIFYJOX-UHFFFAOYSA-N 3 2 366.550 0.973 20 0 FCADLP CCS(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299585296 489459104 /nfs/dbraw/zinc/45/91/04/489459104.db2.gz RZUOGUQERKTZPI-UHFFFAOYSA-N 2 2 354.476 0.145 20 0 FCADLP CC[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555558902 491255110 /nfs/dbraw/zinc/25/51/10/491255110.db2.gz ASMGKWRYFMDIKA-ROUUACIJSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000555558902 491255111 /nfs/dbraw/zinc/25/51/11/491255111.db2.gz ASMGKWRYFMDIKA-ROUUACIJSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555558902 491255112 /nfs/dbraw/zinc/25/51/12/491255112.db2.gz ASMGKWRYFMDIKA-ROUUACIJSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000555558902 491255113 /nfs/dbraw/zinc/25/51/13/491255113.db2.gz ASMGKWRYFMDIKA-ROUUACIJSA-N 2 2 354.539 0.972 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000563560649 491255153 /nfs/dbraw/zinc/25/51/53/491255153.db2.gz OQPDRQUCSMRCFT-HOTGVXAUSA-N 2 2 360.437 0.851 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@](F)(CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000287121297 489462468 /nfs/dbraw/zinc/46/24/68/489462468.db2.gz XGZIRHNJOFLOMV-SFHVURJKSA-N 2 2 350.438 0.917 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@](F)(CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000287121297 489462471 /nfs/dbraw/zinc/46/24/71/489462471.db2.gz XGZIRHNJOFLOMV-SFHVURJKSA-N 2 2 350.438 0.917 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCC(=O)NC3CC3)C2)CC1 ZINC000363407888 489463464 /nfs/dbraw/zinc/46/34/64/489463464.db2.gz HXTJHBUIVUHSFI-OAHLLOKOSA-N 2 2 351.495 0.513 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCC(=O)NC3CC3)C2)CC1 ZINC000363407888 489463466 /nfs/dbraw/zinc/46/34/66/489463466.db2.gz HXTJHBUIVUHSFI-OAHLLOKOSA-N 2 2 351.495 0.513 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(CC(N)=O)CC3)C2)CC1 ZINC000363408276 489463851 /nfs/dbraw/zinc/46/38/51/489463851.db2.gz PXJWJFHEAFUYBG-OAHLLOKOSA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(CC(N)=O)CC3)C2)CC1 ZINC000363408276 489463853 /nfs/dbraw/zinc/46/38/53/489463853.db2.gz PXJWJFHEAFUYBG-OAHLLOKOSA-N 2 2 351.495 0.452 20 0 FCADLP CC(C)C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000363497928 489472406 /nfs/dbraw/zinc/47/24/06/489472406.db2.gz VXODNTGDXHOCQZ-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000363497929 489472413 /nfs/dbraw/zinc/47/24/13/489472413.db2.gz VXODNTGDXHOCQZ-SJORKVTESA-N 2 2 368.522 0.260 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NCC1CC[NH2+]CC1 ZINC000563581243 491256240 /nfs/dbraw/zinc/25/62/40/491256240.db2.gz KLJNJDFRAMFUCV-UHFFFAOYSA-N 2 2 351.495 0.230 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000371349145 489479188 /nfs/dbraw/zinc/47/91/88/489479188.db2.gz FYHASGUHVPIMCO-GOSISDBHSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(=O)N1c2ccccc2C[C@@H]1C ZINC000570667214 491256778 /nfs/dbraw/zinc/25/67/78/491256778.db2.gz PYIMHQMTUWONCO-OFQRWUPVSA-N 2 2 359.474 0.637 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(=O)N1c2ccccc2C[C@@H]1C ZINC000570667214 491256780 /nfs/dbraw/zinc/25/67/80/491256780.db2.gz PYIMHQMTUWONCO-OFQRWUPVSA-N 2 2 359.474 0.637 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(=O)N1c2ccccc2C[C@@H]1C ZINC000570667212 491256799 /nfs/dbraw/zinc/25/67/99/491256799.db2.gz PYIMHQMTUWONCO-DZKIICNBSA-N 2 2 359.474 0.637 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(=O)N1c2ccccc2C[C@@H]1C ZINC000570667212 491256801 /nfs/dbraw/zinc/25/68/01/491256801.db2.gz PYIMHQMTUWONCO-DZKIICNBSA-N 2 2 359.474 0.637 20 0 FCADLP CCOC(=O)c1cnn(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000451208752 489493218 /nfs/dbraw/zinc/49/32/18/489493218.db2.gz OICZRGKGWZNJSC-UHFFFAOYSA-N 2 2 363.462 0.471 20 0 FCADLP CCN(C)C(=O)[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000451316615 489498669 /nfs/dbraw/zinc/49/86/69/489498669.db2.gz SVYSKZUXBNTSNL-INIZCTEOSA-N 2 2 356.511 0.306 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423256518 489507622 /nfs/dbraw/zinc/50/76/22/489507622.db2.gz FLKRILVUVNHLKB-NVXWUHKLSA-N 2 2 374.485 0.721 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423258248 489507802 /nfs/dbraw/zinc/50/78/02/489507802.db2.gz LVRWQOPAVUKYJR-INIZCTEOSA-N 2 2 362.474 0.153 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423256780 489508038 /nfs/dbraw/zinc/50/80/38/489508038.db2.gz FYIZWKUUUXYDHE-KRWDZBQOSA-N 2 2 374.485 0.168 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)c1 ZINC000423263129 489508397 /nfs/dbraw/zinc/50/83/97/489508397.db2.gz WRRZAHSSSMWKBV-OAHLLOKOSA-N 2 2 374.485 0.850 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)[NH+]1CCOCC1 ZINC000451598536 489510990 /nfs/dbraw/zinc/51/09/90/489510990.db2.gz WCKVNYSFFBRZNS-AEFFLSMTSA-N 2 2 353.507 0.600 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000415185987 489513029 /nfs/dbraw/zinc/51/30/29/489513029.db2.gz JUKBNIFDJKHZIE-OAHLLOKOSA-N 2 2 352.483 1.052 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@H+]1CCO ZINC000451657859 489514505 /nfs/dbraw/zinc/51/45/05/489514505.db2.gz BDGDWWBFOLISNH-KDURUIRLSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000451657859 489514507 /nfs/dbraw/zinc/51/45/07/489514507.db2.gz BDGDWWBFOLISNH-KDURUIRLSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000415416206 489518455 /nfs/dbraw/zinc/51/84/55/489518455.db2.gz NAOYVPKRECCWHP-LSDHHAIUSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000415444465 489521858 /nfs/dbraw/zinc/52/18/58/489521858.db2.gz VBYGHMQDQVRLEG-HNNXBMFYSA-N 2 2 360.458 0.320 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1)[NH+]1CCOCC1 ZINC000415472361 489523993 /nfs/dbraw/zinc/52/39/93/489523993.db2.gz WMXNVSZMJIQSHO-WMLDXEAASA-N 2 2 360.458 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371966283 489529562 /nfs/dbraw/zinc/52/95/62/489529562.db2.gz KXGUHXMSHPWKDU-UWWQBHOKSA-N 2 2 368.547 0.976 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371966283 489529565 /nfs/dbraw/zinc/52/95/65/489529565.db2.gz KXGUHXMSHPWKDU-UWWQBHOKSA-N 2 2 368.547 0.976 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000415571191 489531926 /nfs/dbraw/zinc/53/19/26/489531926.db2.gz TWVDLGYZLBYVSY-CABCVRRESA-N 2 2 360.458 0.666 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371994881 489533215 /nfs/dbraw/zinc/53/32/15/489533215.db2.gz YYIHHZPFTKZEPU-QZTJIDSGSA-N 2 2 352.523 0.774 20 0 FCADLP CCN1CC[NH+](CCC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371994881 489533217 /nfs/dbraw/zinc/53/32/17/489533217.db2.gz YYIHHZPFTKZEPU-QZTJIDSGSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c1)[NH+]1CCOCC1 ZINC000415606539 489536437 /nfs/dbraw/zinc/53/64/37/489536437.db2.gz JCZRASQOMIKSDK-LBPRGKRZSA-N 2 2 370.400 0.729 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415641406 489539113 /nfs/dbraw/zinc/53/91/13/489539113.db2.gz GBQCSWMPYISCLZ-HZPDHXFCSA-N 2 2 360.458 0.843 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000415667404 489540184 /nfs/dbraw/zinc/54/01/84/489540184.db2.gz AFOPZJIKCJMWKZ-BHYGNILZSA-N 2 2 372.469 0.696 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+](CCN2CCOCC2)Cc2ccco2)CC1 ZINC000452045306 489540476 /nfs/dbraw/zinc/54/04/76/489540476.db2.gz FQNHCNXIFBUEIF-UHFFFAOYSA-N 2 2 364.490 0.578 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+](CCN2CCOCC2)Cc2ccco2)CC1 ZINC000452045306 489540479 /nfs/dbraw/zinc/54/04/79/489540479.db2.gz FQNHCNXIFBUEIF-UHFFFAOYSA-N 2 2 364.490 0.578 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000426154974 489556912 /nfs/dbraw/zinc/55/69/12/489556912.db2.gz YCUUQHAQGZOKEH-GOSISDBHSA-N 2 2 364.538 0.899 20 0 FCADLP C[NH+](C)C1(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCCC1 ZINC000426241692 489560646 /nfs/dbraw/zinc/56/06/46/489560646.db2.gz DDPGTHHIQJJZEJ-UHFFFAOYSA-N 2 2 353.511 0.842 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000555660249 491262883 /nfs/dbraw/zinc/26/28/83/491262883.db2.gz GKARMPPBUGVTGA-UHFFFAOYSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000555660249 491262887 /nfs/dbraw/zinc/26/28/87/491262887.db2.gz GKARMPPBUGVTGA-UHFFFAOYSA-N 2 2 356.511 0.448 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000415951284 489565556 /nfs/dbraw/zinc/56/55/56/489565556.db2.gz JALWTUOHMDOYJY-CQSZACIVSA-N 2 2 368.445 0.682 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C(C)(C)C ZINC000426478551 489569247 /nfs/dbraw/zinc/56/92/47/489569247.db2.gz DCFGFZJQHBOZEV-AWEZNQCLSA-N 2 2 355.527 0.944 20 0 FCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331503 489572018 /nfs/dbraw/zinc/57/20/18/489572018.db2.gz KRUAFGHEOCHPCM-TVFCKZIOSA-N 2 2 352.523 0.628 20 0 FCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331503 489572022 /nfs/dbraw/zinc/57/20/22/489572022.db2.gz KRUAFGHEOCHPCM-TVFCKZIOSA-N 2 2 352.523 0.628 20 0 FCADLP C[C@@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC000454493680 489572192 /nfs/dbraw/zinc/57/21/92/489572192.db2.gz JRTPWQOGFFYXNS-INIZCTEOSA-N 2 2 367.538 0.960 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668195 491263861 /nfs/dbraw/zinc/26/38/61/491263861.db2.gz QQEAQMCAEZXYMK-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668195 491263864 /nfs/dbraw/zinc/26/38/64/491263864.db2.gz QQEAQMCAEZXYMK-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668194 491264018 /nfs/dbraw/zinc/26/40/18/491264018.db2.gz QQEAQMCAEZXYMK-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668194 491264019 /nfs/dbraw/zinc/26/40/19/491264019.db2.gz QQEAQMCAEZXYMK-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000563714490 491264756 /nfs/dbraw/zinc/26/47/56/491264756.db2.gz JIWAYULHQDMHCL-HRCADAONSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000563714490 491264759 /nfs/dbraw/zinc/26/47/59/491264759.db2.gz JIWAYULHQDMHCL-HRCADAONSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000555669983 491264766 /nfs/dbraw/zinc/26/47/66/491264766.db2.gz ADHBGDYVKAAEEV-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP O=S(=O)([C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000372555291 489599705 /nfs/dbraw/zinc/59/97/05/489599705.db2.gz GJOFXWSSJXIPDL-KRWDZBQOSA-N 2 2 359.536 0.989 20 0 FCADLP O=S(=O)([C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000372555291 489599707 /nfs/dbraw/zinc/59/97/07/489599707.db2.gz GJOFXWSSJXIPDL-KRWDZBQOSA-N 2 2 359.536 0.989 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000570817148 491266589 /nfs/dbraw/zinc/26/65/89/491266589.db2.gz KGPUYPGAKCNCPZ-AWEZNQCLSA-N 2 2 351.495 0.370 20 0 FCADLP CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372656044 489616874 /nfs/dbraw/zinc/61/68/74/489616874.db2.gz QVJWZZHGOSMEIM-KKUMJFAQSA-N 2 2 353.511 0.757 20 0 FCADLP CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372656044 489616878 /nfs/dbraw/zinc/61/68/78/489616878.db2.gz QVJWZZHGOSMEIM-KKUMJFAQSA-N 2 2 353.511 0.757 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033535 489633326 /nfs/dbraw/zinc/63/33/26/489633326.db2.gz QIJKJDCKKNNZLJ-FUHWJXTLSA-N 2 2 356.470 0.879 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033535 489633329 /nfs/dbraw/zinc/63/33/29/489633329.db2.gz QIJKJDCKKNNZLJ-FUHWJXTLSA-N 2 2 356.470 0.879 20 0 FCADLP CC[C@@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000372823649 489640248 /nfs/dbraw/zinc/64/02/48/489640248.db2.gz JBQKHUAQLYQPBI-SOLBZPMBSA-N 2 2 361.490 0.990 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417164187 489643890 /nfs/dbraw/zinc/64/38/90/489643890.db2.gz VIAJUWBWYLWIFF-INIZCTEOSA-N 2 2 361.494 0.288 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1OC ZINC000372853451 489643997 /nfs/dbraw/zinc/64/39/97/489643997.db2.gz ZQELVDVQFFXVMM-CALCHBBNSA-N 2 2 369.506 0.483 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1OC ZINC000372853451 489644000 /nfs/dbraw/zinc/64/40/00/489644000.db2.gz ZQELVDVQFFXVMM-CALCHBBNSA-N 2 2 369.506 0.483 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257256 489645689 /nfs/dbraw/zinc/64/56/89/489645689.db2.gz HMRBJASPGXKNAU-DOTOQJQBSA-N 2 2 356.536 0.965 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417318842 489647966 /nfs/dbraw/zinc/64/79/66/489647966.db2.gz MOLBOELWXXVPSN-UHFFFAOYSA-N 2 2 372.416 0.791 20 0 FCADLP [NH3+][C@@H](CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000417321518 489648079 /nfs/dbraw/zinc/64/80/79/489648079.db2.gz STLWSPZBFUXOLB-KRWDZBQOSA-N 2 2 362.474 0.934 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000417316113 489648166 /nfs/dbraw/zinc/64/81/66/489648166.db2.gz DRKGVROJGVKYNR-KRWDZBQOSA-N 2 2 362.474 0.949 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417366867 489649918 /nfs/dbraw/zinc/64/99/18/489649918.db2.gz LLCXQKNKWMGZGC-INIZCTEOSA-N 2 2 374.489 0.514 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1C[NH+](C2CCCCC2)C1 ZINC000457575577 489650003 /nfs/dbraw/zinc/65/00/03/489650003.db2.gz LMMZDMLIEKPTEI-UHFFFAOYSA-N 2 2 361.490 1.418 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417372541 489650551 /nfs/dbraw/zinc/65/05/51/489650551.db2.gz ZALZGQLQLJNGPL-OAHLLOKOSA-N 2 2 362.478 0.418 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417371228 489650567 /nfs/dbraw/zinc/65/05/67/489650567.db2.gz VIZJKMPQIVKKRQ-OAHLLOKOSA-N 2 2 362.478 0.403 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417369299 489650609 /nfs/dbraw/zinc/65/06/09/489650609.db2.gz QPBLQRCBZLSQDO-HOTGVXAUSA-N 2 2 374.489 0.689 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCN(C)CC1 ZINC000457627915 489652799 /nfs/dbraw/zinc/65/27/99/489652799.db2.gz UGKBPPZVFMPHPG-FGTMMUONSA-N 2 2 367.538 0.421 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCN(C)CC1 ZINC000457627915 489652800 /nfs/dbraw/zinc/65/28/00/489652800.db2.gz UGKBPPZVFMPHPG-FGTMMUONSA-N 2 2 367.538 0.421 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417626383 489660112 /nfs/dbraw/zinc/66/01/12/489660112.db2.gz MYMVCJSYKXHQFS-MRXNPFEDSA-N 2 2 367.538 0.866 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417631860 489660297 /nfs/dbraw/zinc/66/02/97/489660297.db2.gz SFWGODNFPFRMDJ-HNNXBMFYSA-N 2 2 353.511 0.605 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)[C@H]1C ZINC000417720781 489662739 /nfs/dbraw/zinc/66/27/39/489662739.db2.gz XUVDFYCNVRZOHZ-PMPSAXMXSA-N 2 2 352.523 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)[C@H]1C ZINC000417720781 489662737 /nfs/dbraw/zinc/66/27/37/489662737.db2.gz XUVDFYCNVRZOHZ-PMPSAXMXSA-N 2 2 352.523 0.974 20 0 FCADLP C[C@H]1[C@@H](C)N(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000417720777 489662893 /nfs/dbraw/zinc/66/28/93/489662893.db2.gz XUVDFYCNVRZOHZ-BZUAXINKSA-N 2 2 352.523 0.974 20 0 FCADLP C[C@H]1[C@@H](C)N(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000417720777 489662895 /nfs/dbraw/zinc/66/28/95/489662895.db2.gz XUVDFYCNVRZOHZ-BZUAXINKSA-N 2 2 352.523 0.974 20 0 FCADLP C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000563797414 491269749 /nfs/dbraw/zinc/26/97/49/491269749.db2.gz CXINDYUUZAISOT-HUUCEWRRSA-N 2 2 374.489 0.979 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1c(F)cccc1F ZINC000417789175 489665734 /nfs/dbraw/zinc/66/57/34/489665734.db2.gz UTFAUYIDOLBYJH-BLLLJJGKSA-N 2 2 366.412 0.635 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000373128439 489671260 /nfs/dbraw/zinc/67/12/60/489671260.db2.gz VCUMBBZAIUPQHW-IRXDYDNUSA-N 2 2 373.505 0.334 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000373128439 489671261 /nfs/dbraw/zinc/67/12/61/489671261.db2.gz VCUMBBZAIUPQHW-IRXDYDNUSA-N 2 2 373.505 0.334 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158022 489672635 /nfs/dbraw/zinc/67/26/35/489672635.db2.gz DCUXUEOVXNZORB-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158022 489672639 /nfs/dbraw/zinc/67/26/39/489672639.db2.gz DCUXUEOVXNZORB-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000373148813 489673978 /nfs/dbraw/zinc/67/39/78/489673978.db2.gz ZVKXFAKKKUBXBK-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000373148813 489673980 /nfs/dbraw/zinc/67/39/80/489673980.db2.gz ZVKXFAKKKUBXBK-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000373224500 489680283 /nfs/dbraw/zinc/68/02/83/489680283.db2.gz VDXOTSQPHCUFKQ-OKZBNKHCSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000373224500 489680284 /nfs/dbraw/zinc/68/02/84/489680284.db2.gz VDXOTSQPHCUFKQ-OKZBNKHCSA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000458414872 489682188 /nfs/dbraw/zinc/68/21/88/489682188.db2.gz LJZSYQLNWQNOEA-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000458414872 489682190 /nfs/dbraw/zinc/68/21/90/489682190.db2.gz LJZSYQLNWQNOEA-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP Cc1cccn2cc(CNC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)[nH+]c12 ZINC000563815265 491270961 /nfs/dbraw/zinc/27/09/61/491270961.db2.gz KXPCASZEQUVSSM-UHFFFAOYSA-N 2 2 350.444 0.426 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418217504 489685581 /nfs/dbraw/zinc/68/55/81/489685581.db2.gz PFBDUOJBNYJQHB-CYBMUJFWSA-N 2 2 361.368 0.726 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418403506 489696622 /nfs/dbraw/zinc/69/66/22/489696622.db2.gz IJZLEIWOHUNIAZ-YCPHGPKFSA-N 2 2 351.495 0.498 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429682567 489696940 /nfs/dbraw/zinc/69/69/40/489696940.db2.gz ZBDPPUWRUFHLBJ-OALUTQOASA-N 3 2 365.566 0.641 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000469271328 489699631 /nfs/dbraw/zinc/69/96/31/489699631.db2.gz ZVURSVCAAXHOCP-KRWDZBQOSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000469271328 489699635 /nfs/dbraw/zinc/69/96/35/489699635.db2.gz ZVURSVCAAXHOCP-KRWDZBQOSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418486882 489702134 /nfs/dbraw/zinc/70/21/34/489702134.db2.gz IXPWZQYVDGCYGN-AWEZNQCLSA-N 2 2 365.453 0.478 20 0 FCADLP C[N@H+](CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000489255755 489703713 /nfs/dbraw/zinc/70/37/13/489703713.db2.gz RJOKATHGDHFYFC-LSDHHAIUSA-N 2 2 354.520 0.189 20 0 FCADLP C[N@@H+](CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000489255755 489703717 /nfs/dbraw/zinc/70/37/17/489703717.db2.gz RJOKATHGDHFYFC-LSDHHAIUSA-N 2 2 354.520 0.189 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418568355 489707834 /nfs/dbraw/zinc/70/78/34/489707834.db2.gz BLCMIIZNTIRPDY-XHSDSOJGSA-N 2 2 369.510 0.125 20 0 FCADLP [NH3+]CCC[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000418662737 489716258 /nfs/dbraw/zinc/71/62/58/489716258.db2.gz UZELSPSMOSIDKL-GOSISDBHSA-N 2 2 364.490 0.803 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C[NH+](C)C ZINC000469689620 489720833 /nfs/dbraw/zinc/72/08/33/489720833.db2.gz GWSHVONFSYIOJJ-HNNXBMFYSA-N 2 2 366.510 1.313 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000555802203 491274222 /nfs/dbraw/zinc/27/42/22/491274222.db2.gz BLDQCGMIHFLZJM-GJZGRUSLSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000555802203 491274225 /nfs/dbraw/zinc/27/42/25/491274225.db2.gz BLDQCGMIHFLZJM-GJZGRUSLSA-N 2 2 368.522 0.591 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCc1nc2ccccc2s1 ZINC000489861476 489731517 /nfs/dbraw/zinc/73/15/17/489731517.db2.gz STHKJIDZARYWHP-HNNXBMFYSA-N 2 2 373.526 0.935 20 0 FCADLP C[C@H]1NC(=O)N(CC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434853 489732015 /nfs/dbraw/zinc/73/20/15/489732015.db2.gz VDOYMBYHSPCTDS-BEFAXECRSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1NC(=O)N(CC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434853 489732021 /nfs/dbraw/zinc/73/20/21/489732021.db2.gz VDOYMBYHSPCTDS-BEFAXECRSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1NC(=O)N(CC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459434853 489732028 /nfs/dbraw/zinc/73/20/28/489732028.db2.gz VDOYMBYHSPCTDS-BEFAXECRSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1NC(=O)N(CC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459434853 489732031 /nfs/dbraw/zinc/73/20/31/489732031.db2.gz VDOYMBYHSPCTDS-BEFAXECRSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489886667 489733302 /nfs/dbraw/zinc/73/33/02/489733302.db2.gz QHPBNIURTKEFQM-HUUCEWRRSA-N 2 2 366.456 0.992 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCOc1cccc(Cl)c1 ZINC000489942443 489736354 /nfs/dbraw/zinc/73/63/54/489736354.db2.gz OTXSYDKJVIOIBD-INIZCTEOSA-N 2 2 366.893 0.815 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489940577 489736465 /nfs/dbraw/zinc/73/64/65/489736465.db2.gz IZYALXMVJSWDLY-KDOFPFPSSA-N 2 2 359.474 0.952 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCCOc1ccccc1F ZINC000489938444 489736933 /nfs/dbraw/zinc/73/69/33/489736933.db2.gz WYJZRKKTPCKAHG-MRXNPFEDSA-N 2 2 364.465 0.690 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000430470220 489739516 /nfs/dbraw/zinc/73/95/16/489739516.db2.gz GKUFFSOVPMPAJI-AEFFLSMTSA-N 2 2 369.469 0.928 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546615 489744717 /nfs/dbraw/zinc/74/47/17/489744717.db2.gz SDQMBYOWZNOGSQ-TZMCWYRMSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546615 489744724 /nfs/dbraw/zinc/74/47/24/489744724.db2.gz SDQMBYOWZNOGSQ-TZMCWYRMSA-N 2 2 366.487 0.282 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])ccc1C ZINC000430543351 489744734 /nfs/dbraw/zinc/74/47/34/489744734.db2.gz MNBJIYSYMOQJQC-UHFFFAOYSA-N 2 2 356.492 0.758 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])ccc1C ZINC000430543351 489744739 /nfs/dbraw/zinc/74/47/39/489744739.db2.gz MNBJIYSYMOQJQC-UHFFFAOYSA-N 2 2 356.492 0.758 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)n1 ZINC000563895996 491275999 /nfs/dbraw/zinc/27/59/99/491275999.db2.gz BMCFUADSSFPDCH-MRXNPFEDSA-N 2 2 365.478 0.008 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833765 489745553 /nfs/dbraw/zinc/74/55/53/489745553.db2.gz NPAZRXXLEFMONQ-GOSISDBHSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833765 489745556 /nfs/dbraw/zinc/74/55/56/489745556.db2.gz NPAZRXXLEFMONQ-GOSISDBHSA-N 2 2 374.485 0.262 20 0 FCADLP C[C@](C[NH3+])([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000430560438 489745858 /nfs/dbraw/zinc/74/58/58/489745858.db2.gz WFDMQNZDLISWQX-HXUWFJFHSA-N 3 2 360.502 0.852 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430552800 489746439 /nfs/dbraw/zinc/74/64/39/489746439.db2.gz BTRUXFKMZITCLK-VXGBXAGGSA-N 2 2 370.475 0.340 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430552800 489746443 /nfs/dbraw/zinc/74/64/43/489746443.db2.gz BTRUXFKMZITCLK-VXGBXAGGSA-N 2 2 370.475 0.340 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835112 489747192 /nfs/dbraw/zinc/74/71/92/489747192.db2.gz PJUNEAXHJNOSOE-KZNAEPCWSA-N 2 2 374.485 0.390 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835112 489747196 /nfs/dbraw/zinc/74/71/96/489747196.db2.gz PJUNEAXHJNOSOE-KZNAEPCWSA-N 2 2 374.485 0.390 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837418 489747753 /nfs/dbraw/zinc/74/77/53/489747753.db2.gz SUUVEYKGBXDGNE-DLBZAZTESA-N 2 2 362.474 0.103 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837418 489747755 /nfs/dbraw/zinc/74/77/55/489747755.db2.gz SUUVEYKGBXDGNE-DLBZAZTESA-N 2 2 362.474 0.103 20 0 FCADLP C[NH2+]C[C@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000430576673 489748411 /nfs/dbraw/zinc/74/84/11/489748411.db2.gz WKYYTOGAWNWKRM-LJQANCHMSA-N 2 2 372.513 0.950 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430601657 489750927 /nfs/dbraw/zinc/75/09/27/489750927.db2.gz DYLXKYAEGLCQJB-LBPRGKRZSA-N 2 2 366.487 0.295 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430601657 489750931 /nfs/dbraw/zinc/75/09/31/489750931.db2.gz DYLXKYAEGLCQJB-LBPRGKRZSA-N 2 2 366.487 0.295 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000376538492 489751040 /nfs/dbraw/zinc/75/10/40/489751040.db2.gz FRGRMGSOSQRPGN-QGZVFWFLSA-N 2 2 374.485 0.868 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000376538492 489751046 /nfs/dbraw/zinc/75/10/46/489751046.db2.gz FRGRMGSOSQRPGN-QGZVFWFLSA-N 2 2 374.485 0.868 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000418840917 489751279 /nfs/dbraw/zinc/75/12/79/489751279.db2.gz YMKTVPQFHRAXMR-BPQIPLTHSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000418840917 489751282 /nfs/dbraw/zinc/75/12/82/489751282.db2.gz YMKTVPQFHRAXMR-BPQIPLTHSA-N 2 2 374.485 0.199 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418840869 489751495 /nfs/dbraw/zinc/75/14/95/489751495.db2.gz YHDADWCWVWAWKJ-SJLPKXTDSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418840869 489751499 /nfs/dbraw/zinc/75/14/99/489751499.db2.gz YHDADWCWVWAWKJ-SJLPKXTDSA-N 2 2 374.485 0.119 20 0 FCADLP [NH3+]CC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000430606148 489751931 /nfs/dbraw/zinc/75/19/31/489751931.db2.gz UQDAPQMSYNRBML-UHFFFAOYSA-N 3 2 352.523 0.808 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)cn2c1 ZINC000418844165 489752010 /nfs/dbraw/zinc/75/20/10/489752010.db2.gz JOUOJPIGUHEETK-GXTWGEPZSA-N 2 2 359.430 0.488 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000418846261 489753057 /nfs/dbraw/zinc/75/30/57/489753057.db2.gz QWOMFTMUSWZFOB-ZBFHGGJFSA-N 2 2 355.442 0.932 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000430616485 489754493 /nfs/dbraw/zinc/75/44/93/489754493.db2.gz FRGPQLUBRKAUQF-CYBMUJFWSA-N 2 2 364.446 0.394 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000430616485 489754499 /nfs/dbraw/zinc/75/44/99/489754499.db2.gz FRGPQLUBRKAUQF-CYBMUJFWSA-N 2 2 364.446 0.394 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430618383 489755128 /nfs/dbraw/zinc/75/51/28/489755128.db2.gz TVXGUVNCWKQFOI-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430618383 489755132 /nfs/dbraw/zinc/75/51/32/489755132.db2.gz TVXGUVNCWKQFOI-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000418849281 489755473 /nfs/dbraw/zinc/75/54/73/489755473.db2.gz CYRSJXCPPXKVJJ-CABCVRRESA-N 2 2 352.866 0.912 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620959 489755794 /nfs/dbraw/zinc/75/57/94/489755794.db2.gz ITNWTIQXXAETAV-CYBMUJFWSA-N 2 2 352.866 0.708 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620959 489755796 /nfs/dbraw/zinc/75/57/96/489755796.db2.gz ITNWTIQXXAETAV-CYBMUJFWSA-N 2 2 352.866 0.708 20 0 FCADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621701 489756298 /nfs/dbraw/zinc/75/62/98/489756298.db2.gz DWFAREGGROCHGH-CQSZACIVSA-N 2 2 351.451 0.844 20 0 FCADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621701 489756301 /nfs/dbraw/zinc/75/63/01/489756301.db2.gz DWFAREGGROCHGH-CQSZACIVSA-N 2 2 351.451 0.844 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430624758 489757056 /nfs/dbraw/zinc/75/70/56/489757056.db2.gz PNAIRDDABJOWTD-KGLIPLIRSA-N 2 2 350.438 0.755 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430624758 489757059 /nfs/dbraw/zinc/75/70/59/489757059.db2.gz PNAIRDDABJOWTD-KGLIPLIRSA-N 2 2 350.438 0.755 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000430628833 489757653 /nfs/dbraw/zinc/75/76/53/489757653.db2.gz VPGMFLBMEXOBHV-CQSZACIVSA-N 2 2 350.438 0.966 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000430628833 489757658 /nfs/dbraw/zinc/75/76/58/489757658.db2.gz VPGMFLBMEXOBHV-CQSZACIVSA-N 2 2 350.438 0.966 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430634051 489758672 /nfs/dbraw/zinc/75/86/72/489758672.db2.gz QTNONRWFVBNCRI-CQSZACIVSA-N 2 2 350.438 0.237 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430634051 489758677 /nfs/dbraw/zinc/75/86/77/489758677.db2.gz QTNONRWFVBNCRI-CQSZACIVSA-N 2 2 350.438 0.237 20 0 FCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430641620 489760568 /nfs/dbraw/zinc/76/05/68/489760568.db2.gz MMMBWMIOSPMWLJ-AWEZNQCLSA-N 2 2 366.487 0.833 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430641620 489760573 /nfs/dbraw/zinc/76/05/73/489760573.db2.gz MMMBWMIOSPMWLJ-AWEZNQCLSA-N 2 2 366.487 0.833 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430649895 489761885 /nfs/dbraw/zinc/76/18/85/489761885.db2.gz UIBCIOCLRKGCJU-CYBMUJFWSA-N 2 2 362.430 0.148 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430649895 489761888 /nfs/dbraw/zinc/76/18/88/489761888.db2.gz UIBCIOCLRKGCJU-CYBMUJFWSA-N 2 2 362.430 0.148 20 0 FCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000570969678 491277287 /nfs/dbraw/zinc/27/72/87/491277287.db2.gz HOWCVQWGCHENOS-CJNGLKHVSA-N 2 2 366.487 0.559 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430659283 489763820 /nfs/dbraw/zinc/76/38/20/489763820.db2.gz ZDUDINYVMIZFDJ-KRWDZBQOSA-N 2 2 374.485 0.446 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430659283 489763826 /nfs/dbraw/zinc/76/38/26/489763826.db2.gz ZDUDINYVMIZFDJ-KRWDZBQOSA-N 2 2 374.485 0.446 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)CC1CC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000430696883 489765826 /nfs/dbraw/zinc/76/58/26/489765826.db2.gz WSANMTHAAKZHHO-QAPCUYQASA-N 2 2 368.522 0.355 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430703106 489765988 /nfs/dbraw/zinc/76/59/88/489765988.db2.gz JMTJECRVYSXJIB-JONQDZQNSA-N 2 2 354.495 0.093 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000459865108 489773790 /nfs/dbraw/zinc/77/37/90/489773790.db2.gz OBTGMYBHVGJHDD-UHFFFAOYSA-N 2 2 364.515 0.945 20 0 FCADLP Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)nnn1C1CC[NH2+]CC1 ZINC000430859701 489773960 /nfs/dbraw/zinc/77/39/60/489773960.db2.gz YDDSKSUPRDWIPP-UHFFFAOYSA-N 2 2 355.446 0.868 20 0 FCADLP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000430878101 489774055 /nfs/dbraw/zinc/77/40/55/489774055.db2.gz HCCBMFRCUILOLA-MRXNPFEDSA-N 2 2 362.478 0.530 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430929286 489778145 /nfs/dbraw/zinc/77/81/45/489778145.db2.gz ORDFZRQLWQPWKQ-TZMCWYRMSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430929286 489778149 /nfs/dbraw/zinc/77/81/49/489778149.db2.gz ORDFZRQLWQPWKQ-TZMCWYRMSA-N 2 2 351.447 0.998 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)C1 ZINC000430927497 489778779 /nfs/dbraw/zinc/77/87/79/489778779.db2.gz QXPKFITZVWWEIJ-MRXNPFEDSA-N 2 2 352.523 0.929 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)C1 ZINC000430927497 489778783 /nfs/dbraw/zinc/77/87/83/489778783.db2.gz QXPKFITZVWWEIJ-MRXNPFEDSA-N 2 2 352.523 0.929 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000430941709 489779849 /nfs/dbraw/zinc/77/98/49/489779849.db2.gz YJNKFBNPKFGTEG-DVOMOZLQSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000430941709 489779852 /nfs/dbraw/zinc/77/98/52/489779852.db2.gz YJNKFBNPKFGTEG-DVOMOZLQSA-N 2 2 350.438 0.788 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000563941983 491278203 /nfs/dbraw/zinc/27/82/03/491278203.db2.gz FYEIUVHDAIRTGW-XHSDSOJGSA-N 2 2 361.490 0.988 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000563941983 491278205 /nfs/dbraw/zinc/27/82/05/491278205.db2.gz FYEIUVHDAIRTGW-XHSDSOJGSA-N 2 2 361.490 0.988 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000563945729 491278225 /nfs/dbraw/zinc/27/82/25/491278225.db2.gz JIVSHIYTKAXNJZ-QGZVFWFLSA-N 2 2 363.506 0.467 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430951777 489780443 /nfs/dbraw/zinc/78/04/43/489780443.db2.gz NDTRXLRSVSADNR-STQMWFEESA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430951777 489780447 /nfs/dbraw/zinc/78/04/47/489780447.db2.gz NDTRXLRSVSADNR-STQMWFEESA-N 2 2 354.476 0.545 20 0 FCADLP Cc1ccc(CCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c[nH+]1 ZINC000474708009 489782078 /nfs/dbraw/zinc/78/20/78/489782078.db2.gz LEVIRLMPYZRXCU-IRXDYDNUSA-N 2 2 353.488 0.410 20 0 FCADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431010489 489784055 /nfs/dbraw/zinc/78/40/55/489784055.db2.gz PNEZEXFSFWZURE-HNNXBMFYSA-N 2 2 373.457 0.755 20 0 FCADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431010489 489784061 /nfs/dbraw/zinc/78/40/61/489784061.db2.gz PNEZEXFSFWZURE-HNNXBMFYSA-N 2 2 373.457 0.755 20 0 FCADLP COCC[NH2+]CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431008086 489784363 /nfs/dbraw/zinc/78/43/63/489784363.db2.gz IJIKLTHVAJRXCQ-UHFFFAOYSA-N 2 2 361.446 0.612 20 0 FCADLP COCC[NH2+]CC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431008086 489784367 /nfs/dbraw/zinc/78/43/67/489784367.db2.gz IJIKLTHVAJRXCQ-UHFFFAOYSA-N 2 2 361.446 0.612 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459902408 489786051 /nfs/dbraw/zinc/78/60/51/489786051.db2.gz GNQNQONDTUOZSF-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459902408 489786053 /nfs/dbraw/zinc/78/60/53/489786053.db2.gz GNQNQONDTUOZSF-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000431034031 489786223 /nfs/dbraw/zinc/78/62/23/489786223.db2.gz SQQBARXNXRZGFW-CVEARBPZSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431083708 489787298 /nfs/dbraw/zinc/78/72/98/489787298.db2.gz DGFAHORNJMMPFE-CQSZACIVSA-N 2 2 364.494 0.782 20 0 FCADLP CCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083323 489787696 /nfs/dbraw/zinc/78/76/96/489787696.db2.gz LMKIQPGESRORFX-SFHVURJKSA-N 3 2 354.539 0.923 20 0 FCADLP CCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083323 489787699 /nfs/dbraw/zinc/78/76/99/489787699.db2.gz LMKIQPGESRORFX-SFHVURJKSA-N 3 2 354.539 0.923 20 0 FCADLP CCC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083323 489787703 /nfs/dbraw/zinc/78/77/03/489787703.db2.gz LMKIQPGESRORFX-SFHVURJKSA-N 3 2 354.539 0.923 20 0 FCADLP CCC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083323 489787709 /nfs/dbraw/zinc/78/77/09/489787709.db2.gz LMKIQPGESRORFX-SFHVURJKSA-N 3 2 354.539 0.923 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000459914795 489789725 /nfs/dbraw/zinc/78/97/25/489789725.db2.gz ARHFLNFZOLJQER-INIZCTEOSA-N 2 2 361.490 0.755 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000459914795 489789729 /nfs/dbraw/zinc/78/97/29/489789729.db2.gz ARHFLNFZOLJQER-INIZCTEOSA-N 2 2 361.490 0.755 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000459916762 489790763 /nfs/dbraw/zinc/79/07/63/489790763.db2.gz INMCPATVOBNOMV-LJQANCHMSA-N 2 2 366.506 0.111 20 0 FCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418918323 489790886 /nfs/dbraw/zinc/79/08/86/489790886.db2.gz VJJOZUROBRLIOB-QGZVFWFLSA-N 2 2 360.458 0.085 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000459923185 489795667 /nfs/dbraw/zinc/79/56/67/489795667.db2.gz QWFZYWPVKHTYHC-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000418940305 489797262 /nfs/dbraw/zinc/79/72/62/489797262.db2.gz ITNDXWSONBKDAR-TZMCWYRMSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000418940305 489797266 /nfs/dbraw/zinc/79/72/66/489797266.db2.gz ITNDXWSONBKDAR-TZMCWYRMSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C[NH3+] ZINC000418940383 489797374 /nfs/dbraw/zinc/79/73/74/489797374.db2.gz JAEMYWIWTGBQHZ-HIFRSBDPSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C[NH3+] ZINC000418940383 489797378 /nfs/dbraw/zinc/79/73/78/489797378.db2.gz JAEMYWIWTGBQHZ-HIFRSBDPSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945548 489799451 /nfs/dbraw/zinc/79/94/51/489799451.db2.gz PWRDRPUWWBXTHV-GXTWGEPZSA-N 2 2 350.488 0.479 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945548 489799455 /nfs/dbraw/zinc/79/94/55/489799455.db2.gz PWRDRPUWWBXTHV-GXTWGEPZSA-N 2 2 350.488 0.479 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418945526 489799614 /nfs/dbraw/zinc/79/96/14/489799614.db2.gz PSJNCTARFIJSRE-STQMWFEESA-N 2 2 350.488 0.418 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418945526 489799619 /nfs/dbraw/zinc/79/96/19/489799619.db2.gz PSJNCTARFIJSRE-STQMWFEESA-N 2 2 350.488 0.418 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000418943769 489799845 /nfs/dbraw/zinc/79/98/45/489799845.db2.gz MWWYHPYAVJREOM-UHFFFAOYSA-N 2 2 350.488 0.609 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000418943769 489799848 /nfs/dbraw/zinc/79/98/48/489799848.db2.gz MWWYHPYAVJREOM-UHFFFAOYSA-N 2 2 350.488 0.609 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1)C[NH+](C)C ZINC000491596398 489809159 /nfs/dbraw/zinc/80/91/59/489809159.db2.gz KAUQZVGVZLSQRT-OAHLLOKOSA-N 2 2 355.504 0.995 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459994352 489812296 /nfs/dbraw/zinc/81/22/96/489812296.db2.gz UWBQLBOIHNJNJK-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000459994352 489812299 /nfs/dbraw/zinc/81/22/99/489812299.db2.gz UWBQLBOIHNJNJK-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418995402 489813097 /nfs/dbraw/zinc/81/30/97/489813097.db2.gz MKKFTMAYWMHGNW-CABCVRRESA-N 2 2 355.442 0.814 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1F ZINC000419017437 489819544 /nfs/dbraw/zinc/81/95/44/489819544.db2.gz AUVBDAGFOKPZQR-LBPRGKRZSA-N 2 2 359.405 0.756 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc1F ZINC000419021984 489821913 /nfs/dbraw/zinc/82/19/13/489821913.db2.gz HQWUSUHNMOMPNZ-UHFFFAOYSA-N 2 2 369.347 0.646 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000431967665 489825013 /nfs/dbraw/zinc/82/50/13/489825013.db2.gz VAPDUSLVGMBSSL-AWEZNQCLSA-N 2 2 373.457 0.518 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000431967665 489825014 /nfs/dbraw/zinc/82/50/14/489825014.db2.gz VAPDUSLVGMBSSL-AWEZNQCLSA-N 2 2 373.457 0.518 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000431975462 489825309 /nfs/dbraw/zinc/82/53/09/489825309.db2.gz WVRFGKVPJDULSX-UHFFFAOYSA-N 2 2 361.446 0.377 20 0 FCADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@@H]12 ZINC000419039202 489828878 /nfs/dbraw/zinc/82/88/78/489828878.db2.gz KWPIEDCZNVJJJQ-DJIMGWMZSA-N 2 2 353.426 0.684 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000460051773 489834127 /nfs/dbraw/zinc/83/41/27/489834127.db2.gz LHSUEDBCOCHYIA-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000460051773 489834132 /nfs/dbraw/zinc/83/41/32/489834132.db2.gz LHSUEDBCOCHYIA-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067968 489840860 /nfs/dbraw/zinc/84/08/60/489840860.db2.gz YHDMFLUNGXAJIX-SJORKVTESA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067968 489840863 /nfs/dbraw/zinc/84/08/63/489840863.db2.gz YHDMFLUNGXAJIX-SJORKVTESA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[NH2+]1 ZINC000419070090 489844589 /nfs/dbraw/zinc/84/45/89/489844589.db2.gz GSGYRGZGQQYVAB-IUODEOHRSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377056061 489845013 /nfs/dbraw/zinc/84/50/13/489845013.db2.gz JEGZFMKBXFXSFS-SJORKVTESA-N 2 2 360.506 0.775 20 0 FCADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432533199 489845667 /nfs/dbraw/zinc/84/56/67/489845667.db2.gz ZXTNKINZRDRVED-DZGCQCFKSA-N 2 2 354.414 0.984 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419085294 489850592 /nfs/dbraw/zinc/85/05/92/489850592.db2.gz VRVSBWFJLCVPIS-CJNGLKHVSA-N 2 2 373.432 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000419087491 489851176 /nfs/dbraw/zinc/85/11/76/489851176.db2.gz ZTPKVIUNRHYLPQ-HUUCEWRRSA-N 2 2 359.405 0.715 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419109265 489857536 /nfs/dbraw/zinc/85/75/36/489857536.db2.gz ARJXJZSSCAPJHW-HZPDHXFCSA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[NH+]1CCOCC1 ZINC000419110525 489859081 /nfs/dbraw/zinc/85/90/81/489859081.db2.gz BXOCBLRFDAZABE-JKSUJKDBSA-N 2 2 356.511 0.339 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419111184 489859868 /nfs/dbraw/zinc/85/98/68/489859868.db2.gz DCPGTWCBMRPYBN-INIZCTEOSA-N 2 2 368.522 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419111182 489860063 /nfs/dbraw/zinc/86/00/63/489860063.db2.gz DCHJORLIJOTCCA-QAETUUGQSA-N 2 2 366.506 0.045 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000460271591 489860649 /nfs/dbraw/zinc/86/06/49/489860649.db2.gz ZRZZFDOJKLVBAF-LJQANCHMSA-N 2 2 357.458 0.992 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000460271591 489860653 /nfs/dbraw/zinc/86/06/53/489860653.db2.gz ZRZZFDOJKLVBAF-LJQANCHMSA-N 2 2 357.458 0.992 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419115527 489861358 /nfs/dbraw/zinc/86/13/58/489861358.db2.gz JTTLQVVTIMBDSR-HOTGVXAUSA-N 2 2 359.474 0.932 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115434 489861724 /nfs/dbraw/zinc/86/17/24/489861724.db2.gz JPIYLMBJBWYHFH-IRXDYDNUSA-N 2 2 368.522 0.437 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419115525 489861950 /nfs/dbraw/zinc/86/19/50/489861950.db2.gz JTTLQVVTIMBDSR-CVEARBPZSA-N 2 2 359.474 0.932 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC000419115743 489862623 /nfs/dbraw/zinc/86/26/23/489862623.db2.gz KIEDRYFCYSKFLX-OWCLPIDISA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419122704 489866069 /nfs/dbraw/zinc/86/60/69/489866069.db2.gz UFFDQLQXXSQUIN-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000419121625 489866412 /nfs/dbraw/zinc/86/64/12/489866412.db2.gz SCBVKBPQSSWETN-KRWDZBQOSA-N 2 2 368.522 0.450 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000460482852 489867792 /nfs/dbraw/zinc/86/77/92/489867792.db2.gz JDRGVNMUZBSADW-UHFFFAOYSA-N 2 2 364.494 0.846 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1C1CCOCC1 ZINC000433277457 489875082 /nfs/dbraw/zinc/87/50/82/489875082.db2.gz XWCNBBOUZUCIJU-UHFFFAOYSA-N 2 2 351.499 0.482 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1C1CCOCC1 ZINC000433277457 489875086 /nfs/dbraw/zinc/87/50/86/489875086.db2.gz XWCNBBOUZUCIJU-UHFFFAOYSA-N 2 2 351.499 0.482 20 0 FCADLP CC(=O)CCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000476245721 489876935 /nfs/dbraw/zinc/87/69/35/489876935.db2.gz MPJQNOQKYGGZIU-UHFFFAOYSA-N 2 2 366.506 0.443 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)C2 ZINC000419999872 489877137 /nfs/dbraw/zinc/87/71/37/489877137.db2.gz NJSVTZXAXWKQEH-CQSZACIVSA-N 2 2 361.490 0.934 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000377313879 489883575 /nfs/dbraw/zinc/88/35/75/489883575.db2.gz AATXGABELNXJKD-FUHWJXTLSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420030646 489887444 /nfs/dbraw/zinc/88/74/44/489887444.db2.gz GPBMBRQSRATMGQ-NWANDNLSSA-N 2 2 362.430 0.291 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420044744 489891591 /nfs/dbraw/zinc/89/15/91/489891591.db2.gz UBPYNJVRPZZUMU-NVXWUHKLSA-N 2 2 374.485 0.560 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420061419 489899136 /nfs/dbraw/zinc/89/91/36/489899136.db2.gz AWHBAEBHYGJQRN-IJEWVQPXSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420061419 489899143 /nfs/dbraw/zinc/89/91/43/489899143.db2.gz AWHBAEBHYGJQRN-IJEWVQPXSA-N 2 2 354.495 0.188 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494655409 489902430 /nfs/dbraw/zinc/90/24/30/489902430.db2.gz QHYRKBBYSCFQTB-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420075381 489904151 /nfs/dbraw/zinc/90/41/51/489904151.db2.gz SDWAENMPCXBJIA-GOEBONIOSA-N 2 2 361.490 0.835 20 0 FCADLP C[C@]1(CNC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]C1 ZINC000420101146 489912190 /nfs/dbraw/zinc/91/21/90/489912190.db2.gz LHWAHBGNMNPFEE-SFHVURJKSA-N 2 2 364.515 0.898 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000420128861 489922481 /nfs/dbraw/zinc/92/24/81/489922481.db2.gz UHOOZGDJWDAJEV-OAHLLOKOSA-N 3 2 355.527 0.105 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420128861 489922485 /nfs/dbraw/zinc/92/24/85/489922485.db2.gz UHOOZGDJWDAJEV-OAHLLOKOSA-N 3 2 355.527 0.105 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000420128741 489923149 /nfs/dbraw/zinc/92/31/49/489923149.db2.gz QBTDBYFHVANPGY-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000420128741 489923152 /nfs/dbraw/zinc/92/31/52/489923152.db2.gz QBTDBYFHVANPGY-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377582997 489925036 /nfs/dbraw/zinc/92/50/36/489925036.db2.gz OJCBEVQBBVVPKV-UHFFFAOYSA-N 2 2 354.495 0.463 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000420137683 489926485 /nfs/dbraw/zinc/92/64/85/489926485.db2.gz LTKWEVJGICLKJJ-OAHLLOKOSA-N 2 2 373.457 0.163 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000434427778 489927642 /nfs/dbraw/zinc/92/76/42/489927642.db2.gz FOXRNDQZGCWCFH-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000434427778 489927643 /nfs/dbraw/zinc/92/76/43/489927643.db2.gz FOXRNDQZGCWCFH-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000434462337 489930427 /nfs/dbraw/zinc/93/04/27/489930427.db2.gz DXDQFOLDUOWWAT-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000434462337 489930431 /nfs/dbraw/zinc/93/04/31/489930431.db2.gz DXDQFOLDUOWWAT-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556013101 491288974 /nfs/dbraw/zinc/28/89/74/491288974.db2.gz TWMDLMZPMWGNPE-QGZVFWFLSA-N 2 2 367.453 0.901 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556013101 491288976 /nfs/dbraw/zinc/28/89/76/491288976.db2.gz TWMDLMZPMWGNPE-QGZVFWFLSA-N 2 2 367.453 0.901 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420155285 489934123 /nfs/dbraw/zinc/93/41/23/489934123.db2.gz UHVDNDCTSIDOCN-UONOGXRCSA-N 2 2 368.428 0.818 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420155285 489934126 /nfs/dbraw/zinc/93/41/26/489934126.db2.gz UHVDNDCTSIDOCN-UONOGXRCSA-N 2 2 368.428 0.818 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000495314773 489935168 /nfs/dbraw/zinc/93/51/68/489935168.db2.gz NZZVMGNTSUDNAW-AWEZNQCLSA-N 2 2 360.449 0.667 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000495314773 489935173 /nfs/dbraw/zinc/93/51/73/489935173.db2.gz NZZVMGNTSUDNAW-AWEZNQCLSA-N 2 2 360.449 0.667 20 0 FCADLP Cc1c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)nnn1C1CC[NH2+]CC1 ZINC000571163193 491289334 /nfs/dbraw/zinc/28/93/34/491289334.db2.gz VHHWYDVBNHUPMG-UHFFFAOYSA-N 2 2 370.461 0.572 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420172534 489939898 /nfs/dbraw/zinc/93/98/98/489939898.db2.gz VSPQOVWACDANGN-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000556017135 491289636 /nfs/dbraw/zinc/28/96/36/491289636.db2.gz ZDDLFELTSJAGRT-UHFFFAOYSA-N 2 2 373.432 0.956 20 0 FCADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420196625 489948691 /nfs/dbraw/zinc/94/86/91/489948691.db2.gz AUTNKBFPJBRBGV-IPMKNSEASA-N 2 2 370.497 0.835 20 0 FCADLP C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000434699158 489949134 /nfs/dbraw/zinc/94/91/34/489949134.db2.gz IXCHMYUQUHOJKI-KRWDZBQOSA-N 2 2 364.490 0.576 20 0 FCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000434699158 489949137 /nfs/dbraw/zinc/94/91/37/489949137.db2.gz IXCHMYUQUHOJKI-KRWDZBQOSA-N 2 2 364.490 0.576 20 0 FCADLP Cn1c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nnc1-c1ccccc1 ZINC000420312989 489963007 /nfs/dbraw/zinc/96/30/07/489963007.db2.gz SXOMXOLEVCDKMU-INIZCTEOSA-N 2 2 354.458 0.878 20 0 FCADLP Cn1c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nnc1-c1ccccc1 ZINC000420312989 489963008 /nfs/dbraw/zinc/96/30/08/489963008.db2.gz SXOMXOLEVCDKMU-INIZCTEOSA-N 2 2 354.458 0.878 20 0 FCADLP C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000477432970 489964738 /nfs/dbraw/zinc/96/47/38/489964738.db2.gz FGDKDHHXJIKRPF-HNNXBMFYSA-N 2 2 350.507 0.729 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000420373300 489968344 /nfs/dbraw/zinc/96/83/44/489968344.db2.gz GAEANMIKSNDTRC-SZMVWBNQSA-N 3 2 352.523 0.757 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420368488 489968406 /nfs/dbraw/zinc/96/84/06/489968406.db2.gz ATXPTXCJRVYQOK-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420368488 489968409 /nfs/dbraw/zinc/96/84/09/489968409.db2.gz ATXPTXCJRVYQOK-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000377860321 489969040 /nfs/dbraw/zinc/96/90/40/489969040.db2.gz JERSMSSUJSEJNB-INIZCTEOSA-N 2 2 363.506 0.563 20 0 FCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000377860321 489969043 /nfs/dbraw/zinc/96/90/43/489969043.db2.gz JERSMSSUJSEJNB-INIZCTEOSA-N 2 2 363.506 0.563 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000420376922 489969935 /nfs/dbraw/zinc/96/99/35/489969935.db2.gz VQJIWKCKQZVTBJ-QFSBIZTOSA-N 2 2 366.487 0.199 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420382376 489969983 /nfs/dbraw/zinc/96/99/83/489969983.db2.gz PRPOYTHWFOWBCJ-RISCZKNCSA-N 2 2 368.503 0.806 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420382376 489969985 /nfs/dbraw/zinc/96/99/85/489969985.db2.gz PRPOYTHWFOWBCJ-RISCZKNCSA-N 2 2 368.503 0.806 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CCCO1 ZINC000420389153 489970401 /nfs/dbraw/zinc/97/04/01/489970401.db2.gz LYYXMPVSZMJTJX-HNNXBMFYSA-N 2 2 350.438 0.524 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CCCO1 ZINC000420389153 489970403 /nfs/dbraw/zinc/97/04/03/489970403.db2.gz LYYXMPVSZMJTJX-HNNXBMFYSA-N 2 2 350.438 0.524 20 0 FCADLP [NH3+]C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCO1 ZINC000420386695 489970801 /nfs/dbraw/zinc/97/08/01/489970801.db2.gz JJSSGKQQPWDKSE-INIZCTEOSA-N 2 2 352.504 0.442 20 0 FCADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420397714 489971388 /nfs/dbraw/zinc/97/13/88/489971388.db2.gz XXVMPTHDKVDQAF-ZFWWWQNUSA-N 2 2 351.447 0.758 20 0 FCADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420397714 489971391 /nfs/dbraw/zinc/97/13/91/489971391.db2.gz XXVMPTHDKVDQAF-ZFWWWQNUSA-N 2 2 351.447 0.758 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886449 489973119 /nfs/dbraw/zinc/97/31/19/489973119.db2.gz CBUGQWFAQJEJDF-HUUCEWRRSA-N 2 2 362.526 0.681 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886449 489973123 /nfs/dbraw/zinc/97/31/23/489973123.db2.gz CBUGQWFAQJEJDF-HUUCEWRRSA-N 2 2 362.526 0.681 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462404445 489973851 /nfs/dbraw/zinc/97/38/51/489973851.db2.gz WGGZXKLBCZQYBB-DNVCBOLYSA-N 2 2 360.458 0.638 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462404445 489973852 /nfs/dbraw/zinc/97/38/52/489973852.db2.gz WGGZXKLBCZQYBB-DNVCBOLYSA-N 2 2 360.458 0.638 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000556081134 491292715 /nfs/dbraw/zinc/29/27/15/491292715.db2.gz OOISYFDURWWTNI-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000477647140 489981077 /nfs/dbraw/zinc/98/10/77/489981077.db2.gz RAMUYVYZDNSIHW-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1C)CCC2 ZINC000556083466 491293094 /nfs/dbraw/zinc/29/30/94/491293094.db2.gz MVCFUOWTTANWIT-OAHLLOKOSA-N 2 2 358.446 0.897 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378003120 489994191 /nfs/dbraw/zinc/99/41/91/489994191.db2.gz LYUKMSMEEGQRPL-CQSZACIVSA-N 3 2 353.511 0.698 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@@H+]1C ZINC000435286384 489995030 /nfs/dbraw/zinc/99/50/30/489995030.db2.gz WNOINKGJBKZLDO-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@H+]1C ZINC000435286384 489995032 /nfs/dbraw/zinc/99/50/32/489995032.db2.gz WNOINKGJBKZLDO-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286384 489995035 /nfs/dbraw/zinc/99/50/35/489995035.db2.gz WNOINKGJBKZLDO-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286384 489995038 /nfs/dbraw/zinc/99/50/38/489995038.db2.gz WNOINKGJBKZLDO-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000435423143 490001046 /nfs/dbraw/zinc/00/10/46/490001046.db2.gz RZGZWJJBMZFKTQ-HOTGVXAUSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435423143 490001050 /nfs/dbraw/zinc/00/10/50/490001050.db2.gz RZGZWJJBMZFKTQ-HOTGVXAUSA-N 2 2 369.510 0.078 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCN2CCN(C(C)=O)CC2)CC1 ZINC000463283004 490007812 /nfs/dbraw/zinc/00/78/12/490007812.db2.gz MUJKRUXMCDAUKB-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP C[NH+](C)Cc1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463342744 490011994 /nfs/dbraw/zinc/01/19/94/490011994.db2.gz DNWGYPKEDNGBQD-UHFFFAOYSA-N 2 2 355.504 0.890 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000437090943 490018830 /nfs/dbraw/zinc/01/88/30/490018830.db2.gz JCJTWIJCIOAJGY-YPMHNXCESA-N 2 2 372.457 0.920 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@H+]1C ZINC000437090943 490018833 /nfs/dbraw/zinc/01/88/33/490018833.db2.gz JCJTWIJCIOAJGY-YPMHNXCESA-N 2 2 372.457 0.920 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000463486752 490019744 /nfs/dbraw/zinc/01/97/44/490019744.db2.gz KPOQVKUQWOWRTK-OAHLLOKOSA-N 2 2 354.458 0.876 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556089108 491294536 /nfs/dbraw/zinc/29/45/36/491294536.db2.gz BKWTZEYQZNGFFC-UHFFFAOYSA-N 2 2 369.469 0.954 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000556089108 491294537 /nfs/dbraw/zinc/29/45/37/491294537.db2.gz BKWTZEYQZNGFFC-UHFFFAOYSA-N 2 2 369.469 0.954 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000556099085 491294729 /nfs/dbraw/zinc/29/47/29/491294729.db2.gz ZJHRRFZRFKQXCV-OAHLLOKOSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000556099085 491294730 /nfs/dbraw/zinc/29/47/30/491294730.db2.gz ZJHRRFZRFKQXCV-OAHLLOKOSA-N 2 2 359.474 0.897 20 0 FCADLP [NH3+]C1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)Cc2ccccc2C1 ZINC000378206237 490028993 /nfs/dbraw/zinc/02/89/93/490028993.db2.gz ATZNOILPVVISJN-GOSISDBHSA-N 2 2 361.511 0.807 20 0 FCADLP CCC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438312191 490033422 /nfs/dbraw/zinc/03/34/22/490033422.db2.gz IZYBDWCNAQFFRC-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000556110026 491295716 /nfs/dbraw/zinc/29/57/16/491295716.db2.gz IEDVGDQREUJMOJ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378430155 490063475 /nfs/dbraw/zinc/06/34/75/490063475.db2.gz NDWGWBPILBIVRQ-MRXNPFEDSA-N 2 2 351.422 0.511 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482454 490071325 /nfs/dbraw/zinc/07/13/25/490071325.db2.gz MENMHALUHPJRLV-GDBMZVCRSA-N 2 2 351.447 0.636 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482454 490071327 /nfs/dbraw/zinc/07/13/27/490071327.db2.gz MENMHALUHPJRLV-GDBMZVCRSA-N 2 2 351.447 0.636 20 0 FCADLP COCC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]CC1 ZINC000479184577 490071940 /nfs/dbraw/zinc/07/19/40/490071940.db2.gz IEQNQBASHRWLTP-UHFFFAOYSA-N 2 2 366.506 0.063 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479191464 490073159 /nfs/dbraw/zinc/07/31/59/490073159.db2.gz SHTIXXBZNINZDD-GUYCJALGSA-N 2 2 362.449 0.679 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519817210 490088670 /nfs/dbraw/zinc/08/86/70/490088670.db2.gz CVMUGXQTQQCNBT-BEFAXECRSA-N 2 2 355.442 0.640 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@H]1[NH+](C)C ZINC000465181475 490091128 /nfs/dbraw/zinc/09/11/28/490091128.db2.gz DOLDFISBVDJMKR-DOTOQJQBSA-N 2 2 365.522 0.522 20 0 FCADLP CCC(CC)[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000495765666 490091506 /nfs/dbraw/zinc/09/15/06/490091506.db2.gz LYZUEOMGULUNIA-QGZVFWFLSA-N 2 2 354.495 0.014 20 0 FCADLP Oc1cccnc1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000564298049 491298648 /nfs/dbraw/zinc/29/86/48/491298648.db2.gz CESAOABVOIZSQP-UHFFFAOYSA-N 2 2 356.430 0.736 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000506566377 490104789 /nfs/dbraw/zinc/10/47/89/490104789.db2.gz XWQLNKVIJKKAGN-HOCLYGCPSA-N 2 2 359.536 0.684 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000520197412 490115692 /nfs/dbraw/zinc/11/56/92/490115692.db2.gz QGBBAIVXESEPEI-KBPBESRZSA-N 2 2 360.458 0.496 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000479895576 490135076 /nfs/dbraw/zinc/13/50/76/490135076.db2.gz YCYCMWMDDFETRN-OAHLLOKOSA-N 2 2 356.511 0.260 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000545509981 490147552 /nfs/dbraw/zinc/14/75/52/490147552.db2.gz KYTXIKSJGYJSFH-HNNXBMFYSA-N 2 2 366.510 0.258 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(CCn4cc[nH+]c4)n3)cn2)CC1 ZINC000545758151 490153895 /nfs/dbraw/zinc/15/38/95/490153895.db2.gz WTWVXBNHCYGGCW-UHFFFAOYSA-N 2 2 367.413 0.958 20 0 FCADLP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864057 490159265 /nfs/dbraw/zinc/15/92/65/490159265.db2.gz NWWKYDCRDZGAAR-BEFAXECRSA-N 2 2 364.465 0.519 20 0 FCADLP C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864057 490159271 /nfs/dbraw/zinc/15/92/71/490159271.db2.gz NWWKYDCRDZGAAR-BEFAXECRSA-N 2 2 364.465 0.519 20 0 FCADLP CC[C@H]1C[N@H+](CCN2CCOCC2)[C@@H](CC)CN1CC[NH+]1CCOCC1 ZINC000533073616 490167105 /nfs/dbraw/zinc/16/71/05/490167105.db2.gz HYLJKPSFKPHSSD-PMACEKPBSA-N 2 2 368.566 0.826 20 0 FCADLP CC[C@H]1C[N@@H+](CCN2CCOCC2)[C@@H](CC)CN1CC[NH+]1CCOCC1 ZINC000533073616 490167113 /nfs/dbraw/zinc/16/71/13/490167113.db2.gz HYLJKPSFKPHSSD-PMACEKPBSA-N 2 2 368.566 0.826 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000520604089 490168892 /nfs/dbraw/zinc/16/88/92/490168892.db2.gz KUQFKDMALIEAJS-SFHVURJKSA-N 2 2 354.539 0.708 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000520604089 490168893 /nfs/dbraw/zinc/16/88/93/490168893.db2.gz KUQFKDMALIEAJS-SFHVURJKSA-N 2 2 354.539 0.708 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520611251 490170161 /nfs/dbraw/zinc/17/01/61/490170161.db2.gz JGUNVDLMBJSEQX-VYDXJSESSA-N 2 2 360.433 0.873 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520611251 490170166 /nfs/dbraw/zinc/17/01/66/490170166.db2.gz JGUNVDLMBJSEQX-VYDXJSESSA-N 2 2 360.433 0.873 20 0 FCADLP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533253212 490201756 /nfs/dbraw/zinc/20/17/56/490201756.db2.gz NKWYPMJHBLDOGP-MRXNPFEDSA-N 2 2 357.458 0.665 20 0 FCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000497727498 490204729 /nfs/dbraw/zinc/20/47/29/490204729.db2.gz YBRPQMAFNQWZGH-CJNGLKHVSA-N 2 2 353.488 0.311 20 0 FCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000497727498 490204732 /nfs/dbraw/zinc/20/47/32/490204732.db2.gz YBRPQMAFNQWZGH-CJNGLKHVSA-N 2 2 353.488 0.311 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000497774651 490213301 /nfs/dbraw/zinc/21/33/01/490213301.db2.gz DXRYRXIBALZAGS-CYBMUJFWSA-N 2 2 363.549 0.226 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000422268676 490218939 /nfs/dbraw/zinc/21/89/39/490218939.db2.gz MINMXIWBXRUWQI-OAHLLOKOSA-N 2 2 364.515 0.775 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000422268676 490218948 /nfs/dbraw/zinc/21/89/48/490218948.db2.gz MINMXIWBXRUWQI-OAHLLOKOSA-N 2 2 364.515 0.775 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000422268676 490218954 /nfs/dbraw/zinc/21/89/54/490218954.db2.gz MINMXIWBXRUWQI-OAHLLOKOSA-N 2 2 364.515 0.775 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000422268676 490218961 /nfs/dbraw/zinc/21/89/61/490218961.db2.gz MINMXIWBXRUWQI-OAHLLOKOSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000497836971 490221802 /nfs/dbraw/zinc/22/18/02/490221802.db2.gz IQRROWSYMUIKKT-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000497836971 490221803 /nfs/dbraw/zinc/22/18/03/490221803.db2.gz IQRROWSYMUIKKT-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000556311669 491309050 /nfs/dbraw/zinc/30/90/50/491309050.db2.gz LMQHBVONUYADJE-JKSUJKDBSA-N 2 2 365.478 0.347 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954360 490233241 /nfs/dbraw/zinc/23/32/41/490233241.db2.gz MAKNNKRYCSJLEC-CABCVRRESA-N 2 2 360.462 0.122 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954360 490233246 /nfs/dbraw/zinc/23/32/46/490233246.db2.gz MAKNNKRYCSJLEC-CABCVRRESA-N 2 2 360.462 0.122 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000447438734 490235480 /nfs/dbraw/zinc/23/54/80/490235480.db2.gz HVIYRLNESSNFIU-OXJNMPFZSA-N 2 2 374.485 0.252 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000482843281 490255927 /nfs/dbraw/zinc/25/59/27/490255927.db2.gz WPQKRARUNNPXCC-MSOLQXFVSA-N 2 2 356.470 0.684 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000482843281 490255935 /nfs/dbraw/zinc/25/59/35/490255935.db2.gz WPQKRARUNNPXCC-MSOLQXFVSA-N 2 2 356.470 0.684 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509483 491312389 /nfs/dbraw/zinc/31/23/89/491312389.db2.gz FNNLTJMTULJVDG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509483 491312391 /nfs/dbraw/zinc/31/23/91/491312391.db2.gz FNNLTJMTULJVDG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509483 491312393 /nfs/dbraw/zinc/31/23/93/491312393.db2.gz FNNLTJMTULJVDG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509483 491312395 /nfs/dbraw/zinc/31/23/95/491312395.db2.gz FNNLTJMTULJVDG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000498199778 490269664 /nfs/dbraw/zinc/26/96/64/490269664.db2.gz DJUGSUNGHAPUPK-UKRRQHHQSA-N 2 2 357.401 0.553 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357043 490275098 /nfs/dbraw/zinc/27/50/98/490275098.db2.gz AGFJZEABYBWTDT-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357043 490275103 /nfs/dbraw/zinc/27/51/03/490275103.db2.gz AGFJZEABYBWTDT-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](CO)[C@H]3CCCO3)CC2)c1 ZINC000447906941 490289286 /nfs/dbraw/zinc/28/92/86/490289286.db2.gz PPQUYQJCMGTBDF-RBUKOAKNSA-N 2 2 361.486 0.769 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000571557761 491315501 /nfs/dbraw/zinc/31/55/01/491315501.db2.gz GEUYKPPMMNYGET-JKSUJKDBSA-N 2 2 353.511 0.555 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000571557761 491315502 /nfs/dbraw/zinc/31/55/02/491315502.db2.gz GEUYKPPMMNYGET-JKSUJKDBSA-N 2 2 353.511 0.555 20 0 FCADLP C[C@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000483284074 490301774 /nfs/dbraw/zinc/30/17/74/490301774.db2.gz SUSPSXSBNONIOE-FQEVSTJZSA-N 2 2 374.485 0.332 20 0 FCADLP C[C@]1(C(N)=O)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000483284074 490301781 /nfs/dbraw/zinc/30/17/81/490301781.db2.gz SUSPSXSBNONIOE-FQEVSTJZSA-N 2 2 374.485 0.332 20 0 FCADLP CN(CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC(F)(F)F ZINC000533979550 490305929 /nfs/dbraw/zinc/30/59/29/490305929.db2.gz WQVVDZSWRWZZBR-UHFFFAOYSA-N 2 2 353.433 0.806 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000533980109 490307501 /nfs/dbraw/zinc/30/75/01/490307501.db2.gz DNEGSBKEPBSNHE-HOTGVXAUSA-N 2 2 367.538 0.959 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000483414493 490315104 /nfs/dbraw/zinc/31/51/04/490315104.db2.gz IRQPOGFWTOFQIU-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000483414493 490315109 /nfs/dbraw/zinc/31/51/09/490315109.db2.gz IRQPOGFWTOFQIU-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000508383496 490325972 /nfs/dbraw/zinc/32/59/72/490325972.db2.gz CRTMMGRWGSDTQZ-PVAVHDDUSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000508383496 490325974 /nfs/dbraw/zinc/32/59/74/490325974.db2.gz CRTMMGRWGSDTQZ-PVAVHDDUSA-N 2 2 363.506 0.608 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000522025707 490330859 /nfs/dbraw/zinc/33/08/59/490330859.db2.gz UWCAQRFHYUOKNW-JKSUJKDBSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000522025707 490330866 /nfs/dbraw/zinc/33/08/66/490330866.db2.gz UWCAQRFHYUOKNW-JKSUJKDBSA-N 2 2 361.490 0.941 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000483634274 490334577 /nfs/dbraw/zinc/33/45/77/490334577.db2.gz PXQUVSCRRQIUOU-GOSISDBHSA-N 2 2 374.485 0.411 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000483634274 490334586 /nfs/dbraw/zinc/33/45/86/490334586.db2.gz PXQUVSCRRQIUOU-GOSISDBHSA-N 2 2 374.485 0.411 20 0 FCADLP CC(C)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527710 490336028 /nfs/dbraw/zinc/33/60/28/490336028.db2.gz ILWTXSRSGQVJJG-FGTMMUONSA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527710 490336031 /nfs/dbraw/zinc/33/60/31/490336031.db2.gz ILWTXSRSGQVJJG-FGTMMUONSA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527710 490336033 /nfs/dbraw/zinc/33/60/33/490336033.db2.gz ILWTXSRSGQVJJG-FGTMMUONSA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527710 490336035 /nfs/dbraw/zinc/33/60/35/490336035.db2.gz ILWTXSRSGQVJJG-FGTMMUONSA-N 2 2 354.539 0.874 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408435781 490336161 /nfs/dbraw/zinc/33/61/61/490336161.db2.gz PNEYMONJPQOCOV-LSDHHAIUSA-N 2 2 367.519 0.547 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408435781 490336166 /nfs/dbraw/zinc/33/61/66/490336166.db2.gz PNEYMONJPQOCOV-LSDHHAIUSA-N 2 2 367.519 0.547 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508639545 490344150 /nfs/dbraw/zinc/34/41/50/490344150.db2.gz WDFPDSYMRUIFKV-BDXSIMOUSA-N 2 2 354.539 0.872 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508639545 490344151 /nfs/dbraw/zinc/34/41/51/490344151.db2.gz WDFPDSYMRUIFKV-BDXSIMOUSA-N 2 2 354.539 0.872 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000410710314 490367053 /nfs/dbraw/zinc/36/70/53/490367053.db2.gz IEACYCSKYQBZQA-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000410710314 490367059 /nfs/dbraw/zinc/36/70/59/490367059.db2.gz IEACYCSKYQBZQA-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220991 490399211 /nfs/dbraw/zinc/39/92/11/490399211.db2.gz OGSSUKWOLCLPDB-YYIAUSFCSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220991 490399218 /nfs/dbraw/zinc/39/92/18/490399218.db2.gz OGSSUKWOLCLPDB-YYIAUSFCSA-N 2 2 368.522 0.543 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000484284880 490406360 /nfs/dbraw/zinc/40/63/60/490406360.db2.gz QBWDTPLKBTWINZ-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CC34CC4)CC2)CC1 ZINC000422573842 490409233 /nfs/dbraw/zinc/40/92/33/490409233.db2.gz POCAMWMOBXVICB-MRXNPFEDSA-N 2 2 362.518 0.921 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CC34CC4)CC2)CC1 ZINC000422573842 490409240 /nfs/dbraw/zinc/40/92/40/490409240.db2.gz POCAMWMOBXVICB-MRXNPFEDSA-N 2 2 362.518 0.921 20 0 FCADLP CN(C(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1)C1CCCCC1 ZINC000564758461 491325036 /nfs/dbraw/zinc/32/50/36/491325036.db2.gz DXFYXZYIFCUXGF-LJQANCHMSA-N 2 2 366.550 0.850 20 0 FCADLP CN(C(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1)C1CCCCC1 ZINC000564758461 491325039 /nfs/dbraw/zinc/32/50/39/491325039.db2.gz DXFYXZYIFCUXGF-LJQANCHMSA-N 2 2 366.550 0.850 20 0 FCADLP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000523056898 490434311 /nfs/dbraw/zinc/43/43/11/490434311.db2.gz LIQDWOMMMONEMO-CQSZACIVSA-N 2 2 358.398 0.851 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000509718476 490455886 /nfs/dbraw/zinc/45/58/86/490455886.db2.gz YGTDTOLTDQDHAL-HOTGVXAUSA-N 2 2 365.478 0.377 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000509718476 490455894 /nfs/dbraw/zinc/45/58/94/490455894.db2.gz YGTDTOLTDQDHAL-HOTGVXAUSA-N 2 2 365.478 0.377 20 0 FCADLP CO[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](C[NH3+])C1 ZINC000564802224 491327518 /nfs/dbraw/zinc/32/75/18/491327518.db2.gz KCAALVDFSHOBSD-JKSUJKDBSA-N 2 2 366.531 0.830 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000523353968 490458461 /nfs/dbraw/zinc/45/84/61/490458461.db2.gz PIRXSQOSCXWHSA-LJQANCHMSA-N 2 2 373.501 0.574 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000523353968 490458464 /nfs/dbraw/zinc/45/84/64/490458464.db2.gz PIRXSQOSCXWHSA-LJQANCHMSA-N 2 2 373.501 0.574 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)[NH+](CC)CC ZINC000468891891 490460542 /nfs/dbraw/zinc/46/05/42/490460542.db2.gz GTBZRMPPRABIBW-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000535182229 490464069 /nfs/dbraw/zinc/46/40/69/490464069.db2.gz PKCXDDOXJMXSMQ-LSDHHAIUSA-N 2 2 362.478 0.506 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000535182229 490464076 /nfs/dbraw/zinc/46/40/76/490464076.db2.gz PKCXDDOXJMXSMQ-LSDHHAIUSA-N 2 2 362.478 0.506 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000535263579 490471065 /nfs/dbraw/zinc/47/10/65/490471065.db2.gz AEBPHIBVNYPUNS-HZPDHXFCSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000535263579 490471074 /nfs/dbraw/zinc/47/10/74/490471074.db2.gz AEBPHIBVNYPUNS-HZPDHXFCSA-N 2 2 361.494 0.381 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000484943818 490480197 /nfs/dbraw/zinc/48/01/97/490480197.db2.gz GIAQLWZLEYXRFC-CHWSQXEVSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000484943818 490480204 /nfs/dbraw/zinc/48/02/04/490480204.db2.gz GIAQLWZLEYXRFC-CHWSQXEVSA-N 2 2 354.476 0.511 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422842830 490485303 /nfs/dbraw/zinc/48/53/03/490485303.db2.gz GPEDZVHCPXRMDS-SJORKVTESA-N 3 2 361.490 0.477 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422842830 490485309 /nfs/dbraw/zinc/48/53/09/490485309.db2.gz GPEDZVHCPXRMDS-SJORKVTESA-N 2 2 361.490 0.477 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422887722 490490741 /nfs/dbraw/zinc/49/07/41/490490741.db2.gz ZBHHBAVVLKWYQN-ROUUACIJSA-N 2 2 374.485 0.457 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)[C@@H](C)C1 ZINC000523750868 490492729 /nfs/dbraw/zinc/49/27/29/490492729.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)[C@@H](C)C1 ZINC000523750868 490492732 /nfs/dbraw/zinc/49/27/32/490492732.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)[C@@H](C)C1 ZINC000523750868 490492739 /nfs/dbraw/zinc/49/27/39/490492739.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)[C@@H](C)C1 ZINC000523750868 490492744 /nfs/dbraw/zinc/49/27/44/490492744.db2.gz MNXQBRNCRVJNJN-KSZLIROESA-N 2 2 369.554 0.668 20 0 FCADLP CN(C(=O)Cc1ccc(C(N)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683115297 493333681 /nfs/dbraw/zinc/33/36/81/493333681.db2.gz CDPDWJAQZRPQHW-SFHVURJKSA-N 2 2 358.486 0.955 20 0 FCADLP CN(C(=O)Cc1ccc(C(N)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683115297 493333683 /nfs/dbraw/zinc/33/36/83/493333683.db2.gz CDPDWJAQZRPQHW-SFHVURJKSA-N 2 2 358.486 0.955 20 0 FCADLP NS(=O)(=O)c1ccc(OCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000510233361 490499506 /nfs/dbraw/zinc/49/95/06/490499506.db2.gz JPLGCADMBQRGDX-UHFFFAOYSA-N 2 2 365.459 0.254 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500296550 490500038 /nfs/dbraw/zinc/50/00/38/490500038.db2.gz KSNUQYVKHHRGBO-INIZCTEOSA-N 2 2 373.457 0.520 20 0 FCADLP CC(C)[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1nncn1C ZINC000500390965 490509701 /nfs/dbraw/zinc/50/97/01/490509701.db2.gz BVMCMVJOYZEBCC-HNNXBMFYSA-N 2 2 351.499 0.837 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535655749 490510252 /nfs/dbraw/zinc/51/02/52/490510252.db2.gz REOKSWXHQOIIFI-HNNXBMFYSA-N 2 2 365.478 0.542 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535655749 490510260 /nfs/dbraw/zinc/51/02/60/490510260.db2.gz REOKSWXHQOIIFI-HNNXBMFYSA-N 2 2 365.478 0.542 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000422990488 490512869 /nfs/dbraw/zinc/51/28/69/490512869.db2.gz NNRGQGWQHQCSMP-UHFFFAOYSA-N 2 2 357.458 0.332 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)c1 ZINC000423013027 490519208 /nfs/dbraw/zinc/51/92/08/490519208.db2.gz LWVKOKMOGRMKBY-HXUWFJFHSA-N 2 2 358.486 0.837 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423017152 490521404 /nfs/dbraw/zinc/52/14/04/490521404.db2.gz VNRYSVCGKMZQKP-HXUWFJFHSA-N 2 2 358.486 0.837 20 0 FCADLP CC[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000451152561 490522059 /nfs/dbraw/zinc/52/20/59/490522059.db2.gz CIVCWZORTFTEBD-SFHVURJKSA-N 2 2 361.486 0.968 20 0 FCADLP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000451152561 490522062 /nfs/dbraw/zinc/52/20/62/490522062.db2.gz CIVCWZORTFTEBD-SFHVURJKSA-N 2 2 361.486 0.968 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)N1CC[NH2+]CC1 ZINC000423029111 490523876 /nfs/dbraw/zinc/52/38/76/490523876.db2.gz RQACFGQYZJUEDG-UHFFFAOYSA-N 2 2 366.465 0.916 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000535764660 490525801 /nfs/dbraw/zinc/52/58/01/490525801.db2.gz IJNPAFVPTYWSAD-STQMWFEESA-N 2 2 374.445 0.903 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000535764660 490525805 /nfs/dbraw/zinc/52/58/05/490525805.db2.gz IJNPAFVPTYWSAD-STQMWFEESA-N 2 2 374.445 0.903 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423039098 490527771 /nfs/dbraw/zinc/52/77/71/490527771.db2.gz PSFHHIMZDQUKPR-MRXNPFEDSA-N 2 2 362.449 0.667 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423039098 490527776 /nfs/dbraw/zinc/52/77/76/490527776.db2.gz PSFHHIMZDQUKPR-MRXNPFEDSA-N 2 2 362.449 0.667 20 0 FCADLP [NH3+]C1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000423048813 490530048 /nfs/dbraw/zinc/53/00/48/490530048.db2.gz JDMIHONGHJPZGL-UHFFFAOYSA-N 2 2 362.449 0.810 20 0 FCADLP [NH3+]C1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000423048813 490530052 /nfs/dbraw/zinc/53/00/52/490530052.db2.gz JDMIHONGHJPZGL-UHFFFAOYSA-N 2 2 362.449 0.810 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423062988 490533753 /nfs/dbraw/zinc/53/37/53/490533753.db2.gz VHSVTHXQAUHXHL-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000485481632 490534023 /nfs/dbraw/zinc/53/40/23/490534023.db2.gz PSDAMANIXDEFBH-UHFFFAOYSA-N 2 2 358.486 0.584 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000485481632 490534027 /nfs/dbraw/zinc/53/40/27/490534027.db2.gz PSDAMANIXDEFBH-UHFFFAOYSA-N 2 2 358.486 0.584 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485534118 490540283 /nfs/dbraw/zinc/54/02/83/490540283.db2.gz RMCHNKRRMXBXDW-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485534118 490540286 /nfs/dbraw/zinc/54/02/86/490540286.db2.gz RMCHNKRRMXBXDW-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485534118 490540288 /nfs/dbraw/zinc/54/02/88/490540288.db2.gz RMCHNKRRMXBXDW-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485534118 490540291 /nfs/dbraw/zinc/54/02/91/490540291.db2.gz RMCHNKRRMXBXDW-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP O=C1COc2ccc(C[NH2+]CCCCN3CC[NH+](CCO)CC3)cc2N1 ZINC000511080741 490559892 /nfs/dbraw/zinc/55/98/92/490559892.db2.gz KADZBLNBSWOAPY-UHFFFAOYSA-N 2 2 362.474 0.497 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCN2CCCCC2=O)CC1 ZINC000536228185 490562608 /nfs/dbraw/zinc/56/26/08/490562608.db2.gz SMZQBELHXWDWHS-UHFFFAOYSA-N 2 2 353.511 0.714 20 0 FCADLP CC(C)[N@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000549080355 490563073 /nfs/dbraw/zinc/56/30/73/490563073.db2.gz WYQWFCCVKPNSOR-UHFFFAOYSA-N 2 2 353.463 0.643 20 0 FCADLP CC(C)[N@@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000549080355 490563076 /nfs/dbraw/zinc/56/30/76/490563076.db2.gz WYQWFCCVKPNSOR-UHFFFAOYSA-N 2 2 353.463 0.643 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511129944 490564450 /nfs/dbraw/zinc/56/44/50/490564450.db2.gz JSRMBNCMNQJSEI-UHFFFAOYSA-N 2 2 355.442 0.931 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000501053262 490575071 /nfs/dbraw/zinc/57/50/71/490575071.db2.gz SWULWYLAJDDMHY-DLBZAZTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000501053262 490575074 /nfs/dbraw/zinc/57/50/74/490575074.db2.gz SWULWYLAJDDMHY-DLBZAZTESA-N 2 2 369.506 0.829 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000549538050 490588459 /nfs/dbraw/zinc/58/84/59/490588459.db2.gz XFJNCCMUHKJIQX-BETUJISGSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000549538050 490588462 /nfs/dbraw/zinc/58/84/62/490588462.db2.gz XFJNCCMUHKJIQX-BETUJISGSA-N 2 2 357.524 0.775 20 0 FCADLP CN1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000511589019 490604863 /nfs/dbraw/zinc/60/48/63/490604863.db2.gz ULXMDBOGLDJOSS-SFHVURJKSA-N 2 2 374.485 0.298 20 0 FCADLP CN1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000511589019 490604866 /nfs/dbraw/zinc/60/48/66/490604866.db2.gz ULXMDBOGLDJOSS-SFHVURJKSA-N 2 2 374.485 0.298 20 0 FCADLP C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@@H+]1C ZINC000525707055 490624843 /nfs/dbraw/zinc/62/48/43/490624843.db2.gz JMYXIVNWDJWSDP-LSDHHAIUSA-N 2 2 367.519 0.912 20 0 FCADLP C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@H+]1C ZINC000525707055 490624848 /nfs/dbraw/zinc/62/48/48/490624848.db2.gz JMYXIVNWDJWSDP-LSDHHAIUSA-N 2 2 367.519 0.912 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CCCCC1 ZINC000486448990 490628201 /nfs/dbraw/zinc/62/82/01/490628201.db2.gz IDKXWJHBDCHRCD-HNNXBMFYSA-N 2 2 365.478 0.041 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CCCCC1 ZINC000486448990 490628208 /nfs/dbraw/zinc/62/82/08/490628208.db2.gz IDKXWJHBDCHRCD-HNNXBMFYSA-N 2 2 365.478 0.041 20 0 FCADLP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448245 490628235 /nfs/dbraw/zinc/62/82/35/490628235.db2.gz QVPGOGHTSIVSFF-KGLIPLIRSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448245 490628242 /nfs/dbraw/zinc/62/82/42/490628242.db2.gz QVPGOGHTSIVSFF-KGLIPLIRSA-N 2 2 350.488 0.649 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccnn1C1CCCC1 ZINC000486459925 490633655 /nfs/dbraw/zinc/63/36/55/490633655.db2.gz VYQLSLODZOZZBQ-MRXNPFEDSA-N 2 2 374.489 0.833 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccnn1C1CCCC1 ZINC000486459925 490633659 /nfs/dbraw/zinc/63/36/59/490633659.db2.gz VYQLSLODZOZZBQ-MRXNPFEDSA-N 2 2 374.489 0.833 20 0 FCADLP COc1cc(CNC(=O)[C@@H](C)[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000511888207 490634824 /nfs/dbraw/zinc/63/48/24/490634824.db2.gz YBKFZRRWVXUZHV-OAHLLOKOSA-N 2 2 365.474 0.973 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)cc1 ZINC000486464802 490635438 /nfs/dbraw/zinc/63/54/38/490635438.db2.gz ULWDECQHEFNGKC-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)cc1 ZINC000486464802 490635443 /nfs/dbraw/zinc/63/54/43/490635443.db2.gz ULWDECQHEFNGKC-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486475700 490636493 /nfs/dbraw/zinc/63/64/93/490636493.db2.gz ZFCLZANNPLJNPE-KRWDZBQOSA-N 2 2 373.457 0.480 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486475700 490636504 /nfs/dbraw/zinc/63/65/04/490636504.db2.gz ZFCLZANNPLJNPE-KRWDZBQOSA-N 2 2 373.457 0.480 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000511911356 490637465 /nfs/dbraw/zinc/63/74/65/490637465.db2.gz SSVZSSNUDPDJNT-RDJZCZTQSA-N 2 2 365.522 0.855 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000511911356 490637468 /nfs/dbraw/zinc/63/74/68/490637468.db2.gz SSVZSSNUDPDJNT-RDJZCZTQSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)C[C@@H](C)O1 ZINC000564975042 491342039 /nfs/dbraw/zinc/34/20/39/491342039.db2.gz FWLYNJIPBVYSBD-HSFUPAIVSA-N 2 2 356.507 0.756 20 0 FCADLP CC(C)C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000501801901 490642618 /nfs/dbraw/zinc/64/26/18/490642618.db2.gz GVJBZGQGBJOHSL-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP [NH3+]CCCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000571997606 491342158 /nfs/dbraw/zinc/34/21/58/491342158.db2.gz VFFQHNAMCQUSLV-OAHLLOKOSA-N 2 2 362.478 0.527 20 0 FCADLP [NH3+]CCCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000571997606 491342161 /nfs/dbraw/zinc/34/21/61/491342161.db2.gz VFFQHNAMCQUSLV-OAHLLOKOSA-N 2 2 362.478 0.527 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000550229009 490644935 /nfs/dbraw/zinc/64/49/35/490644935.db2.gz UKVKDZFBTQDHAA-OAHLLOKOSA-N 2 2 361.421 0.785 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000550294365 490656941 /nfs/dbraw/zinc/65/69/41/490656941.db2.gz FZARPQXQZFFUPG-CABCVRRESA-N 2 2 357.458 0.934 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000550294365 490656943 /nfs/dbraw/zinc/65/69/43/490656943.db2.gz FZARPQXQZFFUPG-CABCVRRESA-N 2 2 357.458 0.934 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000501936845 490657607 /nfs/dbraw/zinc/65/76/07/490657607.db2.gz GCVYQIQUXGNXIV-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550360679 490664539 /nfs/dbraw/zinc/66/45/39/490664539.db2.gz XTDQNHNFMPXRPG-QGZVFWFLSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550360679 490664544 /nfs/dbraw/zinc/66/45/44/490664544.db2.gz XTDQNHNFMPXRPG-QGZVFWFLSA-N 2 2 368.522 0.402 20 0 FCADLP CN(C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000502027820 490668961 /nfs/dbraw/zinc/66/89/61/490668961.db2.gz AYISUUJGCOWBEK-CQSZACIVSA-N 2 2 353.488 0.846 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000502027820 490668967 /nfs/dbraw/zinc/66/89/67/490668967.db2.gz AYISUUJGCOWBEK-CQSZACIVSA-N 2 2 353.488 0.846 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000502027820 490668970 /nfs/dbraw/zinc/66/89/70/490668970.db2.gz AYISUUJGCOWBEK-CQSZACIVSA-N 2 2 353.488 0.846 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512449357 490683096 /nfs/dbraw/zinc/68/30/96/490683096.db2.gz FVPUGKCPUJQZNH-ZRNYENFQSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512449357 490683100 /nfs/dbraw/zinc/68/31/00/490683100.db2.gz FVPUGKCPUJQZNH-ZRNYENFQSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C1 ZINC000527004276 490691389 /nfs/dbraw/zinc/69/13/89/490691389.db2.gz JGOCBMMSRWFOPR-STQMWFEESA-N 2 2 360.462 0.561 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C1 ZINC000527004276 490691393 /nfs/dbraw/zinc/69/13/93/490691393.db2.gz JGOCBMMSRWFOPR-STQMWFEESA-N 2 2 360.462 0.561 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[NH+]1CCNC(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881442 490702900 /nfs/dbraw/zinc/70/29/00/490702900.db2.gz KZNDRROVEWPREO-HLLBOEOZSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[NH+]1CCNC(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881442 490702902 /nfs/dbraw/zinc/70/29/02/490702902.db2.gz KZNDRROVEWPREO-HLLBOEOZSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881442 490702904 /nfs/dbraw/zinc/70/29/04/490702904.db2.gz KZNDRROVEWPREO-HLLBOEOZSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881442 490702907 /nfs/dbraw/zinc/70/29/07/490702907.db2.gz KZNDRROVEWPREO-HLLBOEOZSA-N 2 2 354.495 0.058 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000538046182 490706742 /nfs/dbraw/zinc/70/67/42/490706742.db2.gz UEYKGKPSAYZDIP-HUUCEWRRSA-N 2 2 363.524 0.126 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502570785 490710884 /nfs/dbraw/zinc/71/08/84/490710884.db2.gz ICXBQQHTJYABKD-HZPDHXFCSA-N 2 2 365.522 0.983 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502570785 490710885 /nfs/dbraw/zinc/71/08/85/490710885.db2.gz ICXBQQHTJYABKD-HZPDHXFCSA-N 2 2 365.522 0.983 20 0 FCADLP [NH3+]C1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCOCC1 ZINC000513229628 490715590 /nfs/dbraw/zinc/71/55/90/490715590.db2.gz BVRRMYUKRIMHCI-MRXNPFEDSA-N 2 2 363.458 0.078 20 0 FCADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000572112260 491349193 /nfs/dbraw/zinc/34/91/93/491349193.db2.gz ZRHCVIKWZFWLPT-VZEFYGNVSA-N 2 2 351.472 0.576 20 0 FCADLP CC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000502695536 490716572 /nfs/dbraw/zinc/71/65/72/490716572.db2.gz YCTXITHLWPCSCD-HNNXBMFYSA-N 2 2 356.492 0.597 20 0 FCADLP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000502695536 490716575 /nfs/dbraw/zinc/71/65/75/490716575.db2.gz YCTXITHLWPCSCD-HNNXBMFYSA-N 2 2 356.492 0.597 20 0 FCADLP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000502841134 490724552 /nfs/dbraw/zinc/72/45/52/490724552.db2.gz QSINQTZXCKKTPL-UHFFFAOYSA-N 2 2 367.538 0.962 20 0 FCADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000502841134 490724554 /nfs/dbraw/zinc/72/45/54/490724554.db2.gz QSINQTZXCKKTPL-UHFFFAOYSA-N 2 2 367.538 0.962 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538349304 490727557 /nfs/dbraw/zinc/72/75/57/490727557.db2.gz UVQZFVHILJXFCN-KURKYZTESA-N 2 2 368.522 0.008 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538349304 490727559 /nfs/dbraw/zinc/72/75/59/490727559.db2.gz UVQZFVHILJXFCN-KURKYZTESA-N 2 2 368.522 0.008 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513467848 490730971 /nfs/dbraw/zinc/73/09/71/490730971.db2.gz CNFICADKWGTTTQ-INIZCTEOSA-N 2 2 370.538 0.648 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C[NH+](C)C ZINC000513464163 490731194 /nfs/dbraw/zinc/73/11/94/490731194.db2.gz VFLRJROQAGNUIC-AWEZNQCLSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C[NH+](C)C ZINC000513464163 490731198 /nfs/dbraw/zinc/73/11/98/490731198.db2.gz VFLRJROQAGNUIC-AWEZNQCLSA-N 2 2 356.511 0.306 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000503283905 490749245 /nfs/dbraw/zinc/74/92/45/490749245.db2.gz NOJZBVJCTWELBB-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)CC2 ZINC000565080095 491351885 /nfs/dbraw/zinc/35/18/85/491351885.db2.gz CVLKRJBGYSUSBF-INIZCTEOSA-N 2 2 362.474 0.440 20 0 FCADLP C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000538839704 490753722 /nfs/dbraw/zinc/75/37/22/490753722.db2.gz TZHOVNZDTDUJBO-DOTOQJQBSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000557099761 491353343 /nfs/dbraw/zinc/35/33/43/491353343.db2.gz YDNWXAUWQXAIAT-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000557099761 491353345 /nfs/dbraw/zinc/35/33/45/491353345.db2.gz YDNWXAUWQXAIAT-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)CC1 ZINC000514088109 490761829 /nfs/dbraw/zinc/76/18/29/490761829.db2.gz FVVIFECFORVYJC-UHFFFAOYSA-N 2 2 370.501 0.845 20 0 FCADLP COc1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1S(N)(=O)=O ZINC000539065873 490763119 /nfs/dbraw/zinc/76/31/19/490763119.db2.gz KXJHCZKSQWLGQO-DOMZBBRYSA-N 2 2 353.488 0.957 20 0 FCADLP COc1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1S(N)(=O)=O ZINC000539065873 490763121 /nfs/dbraw/zinc/76/31/21/490763121.db2.gz KXJHCZKSQWLGQO-DOMZBBRYSA-N 2 2 353.488 0.957 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539147989 490765106 /nfs/dbraw/zinc/76/51/06/490765106.db2.gz SOAQTIQSTFDNFF-IAGOWNOFSA-N 2 2 371.522 0.729 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000557116717 491354088 /nfs/dbraw/zinc/35/40/88/491354088.db2.gz BLSFBCVWQZUBMX-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000557116717 491354090 /nfs/dbraw/zinc/35/40/90/491354090.db2.gz BLSFBCVWQZUBMX-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP COC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000514590810 490772755 /nfs/dbraw/zinc/77/27/55/490772755.db2.gz JATQQIYTXGJTBG-APWZRJJASA-N 2 2 362.474 0.385 20 0 FCADLP COC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000514590810 490772758 /nfs/dbraw/zinc/77/27/58/490772758.db2.gz JATQQIYTXGJTBG-APWZRJJASA-N 2 2 362.474 0.385 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000557122233 491354688 /nfs/dbraw/zinc/35/46/88/491354688.db2.gz QPJODALUUAEJRW-IKGGRYGDSA-N 2 2 368.522 0.448 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514678832 490781191 /nfs/dbraw/zinc/78/11/91/490781191.db2.gz VUBHKONTLBUXSF-OITRNQOZSA-N 2 2 374.529 0.905 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514678832 490781197 /nfs/dbraw/zinc/78/11/97/490781197.db2.gz VUBHKONTLBUXSF-OITRNQOZSA-N 2 2 374.529 0.905 20 0 FCADLP Cc1cocc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528449238 490798424 /nfs/dbraw/zinc/79/84/24/490798424.db2.gz KGUBZXVMTPHBIB-UHFFFAOYSA-N 2 2 362.474 0.898 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572226824 491356639 /nfs/dbraw/zinc/35/66/39/491356639.db2.gz DAUDXMFTZLVGJB-PKOBYXMFSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572226824 491356640 /nfs/dbraw/zinc/35/66/40/491356640.db2.gz DAUDXMFTZLVGJB-PKOBYXMFSA-N 3 2 374.533 0.481 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000514977689 490801325 /nfs/dbraw/zinc/80/13/25/490801325.db2.gz ZNIDKNRMRGCDHX-INIZCTEOSA-N 2 2 365.478 0.322 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000514977689 490801328 /nfs/dbraw/zinc/80/13/28/490801328.db2.gz ZNIDKNRMRGCDHX-INIZCTEOSA-N 2 2 365.478 0.322 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000514977689 490801329 /nfs/dbraw/zinc/80/13/29/490801329.db2.gz ZNIDKNRMRGCDHX-INIZCTEOSA-N 2 2 365.478 0.322 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000515049582 490805010 /nfs/dbraw/zinc/80/50/10/490805010.db2.gz LEPPTEVOSKMKDJ-BRWVUGGUSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000515053309 490805963 /nfs/dbraw/zinc/80/59/63/490805963.db2.gz KZVYTXQVQDZYKM-UHFFFAOYSA-N 2 2 371.485 0.722 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000515078159 490807581 /nfs/dbraw/zinc/80/75/81/490807581.db2.gz XQEQVNKCVHXHGJ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000515078159 490807582 /nfs/dbraw/zinc/80/75/82/490807582.db2.gz XQEQVNKCVHXHGJ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000515145848 490809988 /nfs/dbraw/zinc/80/99/88/490809988.db2.gz DUMKCJVUWNIPMY-IRXDYDNUSA-N 2 2 373.501 0.168 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000515223193 490813986 /nfs/dbraw/zinc/81/39/86/490813986.db2.gz KLFSDULLNSZZNS-KKUMJFAQSA-N 2 2 351.495 0.369 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000565169855 491357683 /nfs/dbraw/zinc/35/76/83/491357683.db2.gz BSORXOHYXPKAIS-CQSZACIVSA-N 2 2 357.462 0.790 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000528685070 490819587 /nfs/dbraw/zinc/81/95/87/490819587.db2.gz LGGHDLUXMRCFEZ-QGZVFWFLSA-N 2 2 374.489 0.931 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000540575511 490828882 /nfs/dbraw/zinc/82/88/82/490828882.db2.gz SOMJUJZCVACZNQ-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000540575511 490828886 /nfs/dbraw/zinc/82/88/86/490828886.db2.gz SOMJUJZCVACZNQ-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000540575511 490828888 /nfs/dbraw/zinc/82/88/88/490828888.db2.gz SOMJUJZCVACZNQ-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000540575511 490828891 /nfs/dbraw/zinc/82/88/91/490828891.db2.gz SOMJUJZCVACZNQ-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[NH+]1CCN(C)CC1 ZINC000572301299 491361243 /nfs/dbraw/zinc/36/12/43/491361243.db2.gz AULPDKLKBVXWPZ-DOTOQJQBSA-N 2 2 354.564 0.956 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529311516 490849413 /nfs/dbraw/zinc/84/94/13/490849413.db2.gz VYTLHEXCRRIVRH-MRXNPFEDSA-N 2 2 363.506 0.515 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000529330201 490853537 /nfs/dbraw/zinc/85/35/37/490853537.db2.gz KANOLLYRIOLMOK-MRXNPFEDSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000516173863 490854448 /nfs/dbraw/zinc/85/44/48/490854448.db2.gz GHXPFTZUKIHUJI-HIFRSBDPSA-N 2 2 350.488 0.588 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000529456590 490860709 /nfs/dbraw/zinc/86/07/09/490860709.db2.gz NOWSNWKHADQXTC-RDTXWAMCSA-N 2 2 356.430 0.936 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000516470374 490864501 /nfs/dbraw/zinc/86/45/01/490864501.db2.gz QBKOSMKGKNRLNP-HZPDHXFCSA-N 3 2 361.490 0.752 20 0 FCADLP Cn1[nH]c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)nc1=O ZINC000541581499 490866533 /nfs/dbraw/zinc/86/65/33/490866533.db2.gz CGOCGFPFIREPGL-UHFFFAOYSA-N 2 2 364.494 0.313 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000557249673 491362618 /nfs/dbraw/zinc/36/26/18/491362618.db2.gz QHDLEEZPYKNSHY-HZPDHXFCSA-N 2 2 363.462 0.067 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000516651208 490872963 /nfs/dbraw/zinc/87/29/63/490872963.db2.gz UQMHLLRZVYCQKL-HOTGVXAUSA-N 2 2 357.520 0.344 20 0 FCADLP CN(C)[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)c1c[nH+]cn1C ZINC000529817786 490878360 /nfs/dbraw/zinc/87/83/60/490878360.db2.gz VMDMQIGHKNTFAS-KRWDZBQOSA-N 2 2 372.473 0.953 20 0 FCADLP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000565191309 491359214 /nfs/dbraw/zinc/35/92/14/491359214.db2.gz VNMSBSJUWXQFCN-UHFFFAOYSA-N 2 2 356.474 0.840 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516978695 490888667 /nfs/dbraw/zinc/88/86/67/490888667.db2.gz HTZOMURLNBSEKE-HNNXBMFYSA-N 2 2 357.462 0.707 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516978695 490888670 /nfs/dbraw/zinc/88/86/70/490888670.db2.gz HTZOMURLNBSEKE-HNNXBMFYSA-N 2 2 357.462 0.707 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)n1C ZINC000517359988 490905558 /nfs/dbraw/zinc/90/55/58/490905558.db2.gz YUPUQPJFAPEIEC-OAHLLOKOSA-N 2 2 372.429 0.454 20 0 FCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000517435081 490908901 /nfs/dbraw/zinc/90/89/01/490908901.db2.gz JEVUURPPDHGXIJ-AWEZNQCLSA-N 2 2 359.430 0.498 20 0 FCADLP COCCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000517556990 490911520 /nfs/dbraw/zinc/91/15/20/490911520.db2.gz SYASLEGWSSXPCB-HLLBOEOZSA-N 2 2 353.463 0.667 20 0 FCADLP COCCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000517556990 490911523 /nfs/dbraw/zinc/91/15/23/490911523.db2.gz SYASLEGWSSXPCB-HLLBOEOZSA-N 2 2 353.463 0.667 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CCO1 ZINC000518258733 490935109 /nfs/dbraw/zinc/93/51/09/490935109.db2.gz SWSUBDYSSVHJRX-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CCO1 ZINC000518258733 490935112 /nfs/dbraw/zinc/93/51/12/490935112.db2.gz SWSUBDYSSVHJRX-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000518258733 490935114 /nfs/dbraw/zinc/93/51/14/490935114.db2.gz SWSUBDYSSVHJRX-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000518258733 490935116 /nfs/dbraw/zinc/93/51/16/490935116.db2.gz SWSUBDYSSVHJRX-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000572367584 491365678 /nfs/dbraw/zinc/36/56/78/491365678.db2.gz AHTBDVGUMBCVGP-VKJFTORMSA-N 2 2 367.538 0.021 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000572367583 491365760 /nfs/dbraw/zinc/36/57/60/491365760.db2.gz AHTBDVGUMBCVGP-RVKKMQEKSA-N 2 2 367.538 0.021 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)cn1 ZINC000531133207 490942733 /nfs/dbraw/zinc/94/27/33/490942733.db2.gz GLJCAEQSRMVDTH-KRWDZBQOSA-N 2 2 366.535 0.685 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000518824456 490953036 /nfs/dbraw/zinc/95/30/36/490953036.db2.gz ZAQQWYYVSNGYTI-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000518824456 490953039 /nfs/dbraw/zinc/95/30/39/490953039.db2.gz ZAQQWYYVSNGYTI-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCOC1CC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000543996571 490954731 /nfs/dbraw/zinc/95/47/31/490954731.db2.gz MSKXHGLFGQYDIF-UHFFFAOYSA-N 2 2 368.503 0.691 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382238 490954951 /nfs/dbraw/zinc/95/49/51/490954951.db2.gz IQPWUBIYYCBVOT-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382238 490954954 /nfs/dbraw/zinc/95/49/54/490954954.db2.gz IQPWUBIYYCBVOT-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382238 490954956 /nfs/dbraw/zinc/95/49/56/490954956.db2.gz IQPWUBIYYCBVOT-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382238 490954958 /nfs/dbraw/zinc/95/49/58/490954958.db2.gz IQPWUBIYYCBVOT-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000519175464 490964324 /nfs/dbraw/zinc/96/43/24/490964324.db2.gz BMWSCKYSOMXRRY-BZPMIXESSA-N 2 2 366.487 0.423 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000519175464 490964326 /nfs/dbraw/zinc/96/43/26/490964326.db2.gz BMWSCKYSOMXRRY-BZPMIXESSA-N 2 2 366.487 0.423 20 0 FCADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000519223089 490965856 /nfs/dbraw/zinc/96/58/56/490965856.db2.gz RAFHIWULNAHOGI-ZBFHGGJFSA-N 2 2 359.536 0.732 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531678358 490970067 /nfs/dbraw/zinc/97/00/67/490970067.db2.gz CEWYLYOEDVGQES-IKGGRYGDSA-N 2 2 353.511 0.175 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531678358 490970070 /nfs/dbraw/zinc/97/00/70/490970070.db2.gz CEWYLYOEDVGQES-IKGGRYGDSA-N 2 2 353.511 0.175 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c[nH+]1 ZINC000519364423 490970183 /nfs/dbraw/zinc/97/01/83/490970183.db2.gz WDNBUIXTWCHRLR-UHFFFAOYSA-N 2 2 370.457 0.656 20 0 FCADLP COc1ccccc1OC[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565294889 491367888 /nfs/dbraw/zinc/36/78/88/491367888.db2.gz SJRMMANOKFTHCP-CABCVRRESA-N 2 2 350.463 0.994 20 0 FCADLP COc1ccccc1OC[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565294889 491367889 /nfs/dbraw/zinc/36/78/89/491367889.db2.gz SJRMMANOKFTHCP-CABCVRRESA-N 2 2 350.463 0.994 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC1(O)CCC1 ZINC000544753750 490979297 /nfs/dbraw/zinc/97/92/97/490979297.db2.gz YMLJPBMAIMMHSK-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC1(O)CCC1 ZINC000544753750 490979299 /nfs/dbraw/zinc/97/92/99/490979299.db2.gz YMLJPBMAIMMHSK-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000519748520 490988006 /nfs/dbraw/zinc/98/80/06/490988006.db2.gz RHCQNJZYZABQQV-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000519748520 490988007 /nfs/dbraw/zinc/98/80/07/490988007.db2.gz RHCQNJZYZABQQV-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP Cc1noc(C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccccc2)n1 ZINC000519756035 490988501 /nfs/dbraw/zinc/98/85/01/490988501.db2.gz OIHFWCYGEPPJSX-CVEARBPZSA-N 2 2 358.446 0.946 20 0 FCADLP Cc1noc(C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccccc2)n1 ZINC000519756035 490988503 /nfs/dbraw/zinc/98/85/03/490988503.db2.gz OIHFWCYGEPPJSX-CVEARBPZSA-N 2 2 358.446 0.946 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532429404 490992857 /nfs/dbraw/zinc/99/28/57/490992857.db2.gz VIFIYXACBRNYHU-IXDOHACOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532429404 490992858 /nfs/dbraw/zinc/99/28/58/490992858.db2.gz VIFIYXACBRNYHU-IXDOHACOSA-N 2 2 354.495 0.650 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000572405481 491368158 /nfs/dbraw/zinc/36/81/58/491368158.db2.gz PHEYOGITAYGWHP-USXIJHARSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612481156 491923812 /nfs/dbraw/zinc/92/38/12/491923812.db2.gz QVAINMSRDCZVCH-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554062144 491174189 /nfs/dbraw/zinc/17/41/89/491174189.db2.gz RTGRBACTUPQSSH-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000569724081 491186498 /nfs/dbraw/zinc/18/64/98/491186498.db2.gz XHNKDEIXJBOSHY-CYBMUJFWSA-N 2 2 354.476 0.560 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000569724081 491186500 /nfs/dbraw/zinc/18/65/00/491186500.db2.gz XHNKDEIXJBOSHY-CYBMUJFWSA-N 2 2 354.476 0.560 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660270738 493337539 /nfs/dbraw/zinc/33/75/39/493337539.db2.gz PFGFZEOBMVNTKV-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660270738 493337541 /nfs/dbraw/zinc/33/75/41/493337541.db2.gz PFGFZEOBMVNTKV-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660270738 493337542 /nfs/dbraw/zinc/33/75/42/493337542.db2.gz PFGFZEOBMVNTKV-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660270738 493337544 /nfs/dbraw/zinc/33/75/44/493337544.db2.gz PFGFZEOBMVNTKV-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000572517983 491375811 /nfs/dbraw/zinc/37/58/11/491375811.db2.gz SORYLDOJXZKSJO-INIZCTEOSA-N 2 2 366.506 0.015 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000572626889 491382431 /nfs/dbraw/zinc/38/24/31/491382431.db2.gz AKWKPLPSQPHYSV-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000572626889 491382436 /nfs/dbraw/zinc/38/24/36/491382436.db2.gz AKWKPLPSQPHYSV-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000557704733 491392240 /nfs/dbraw/zinc/39/22/40/491392240.db2.gz JVVVEULLLMBTSE-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000565765865 491398352 /nfs/dbraw/zinc/39/83/52/491398352.db2.gz PUDGHBCIPFRAAT-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000565765865 491398353 /nfs/dbraw/zinc/39/83/53/491398353.db2.gz PUDGHBCIPFRAAT-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000572951408 491403038 /nfs/dbraw/zinc/40/30/38/491403038.db2.gz NPUOJOBMEPCALR-KZNAEPCWSA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000572951408 491403040 /nfs/dbraw/zinc/40/30/40/491403040.db2.gz NPUOJOBMEPCALR-KZNAEPCWSA-N 2 2 356.470 0.570 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000572979683 491405259 /nfs/dbraw/zinc/40/52/59/491405259.db2.gz WGYDSEXKIGAQQL-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000572979682 491405341 /nfs/dbraw/zinc/40/53/41/491405341.db2.gz WGYDSEXKIGAQQL-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1S(N)(=O)=O ZINC000573001353 491406802 /nfs/dbraw/zinc/40/68/02/491406802.db2.gz NCOQKRUXTFJJGM-QEJZJMRPSA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1S(N)(=O)=O ZINC000573001353 491406805 /nfs/dbraw/zinc/40/68/05/491406805.db2.gz NCOQKRUXTFJJGM-QEJZJMRPSA-N 2 2 366.487 0.640 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000565999660 491411405 /nfs/dbraw/zinc/41/14/05/491411405.db2.gz SQQZYTVFQGJIHP-INIZCTEOSA-N 2 2 351.495 0.454 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558062658 491411656 /nfs/dbraw/zinc/41/16/56/491411656.db2.gz ZVTXCMVOPWSYGP-UHFFFAOYSA-N 2 2 361.450 0.204 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000566016876 491412992 /nfs/dbraw/zinc/41/29/92/491412992.db2.gz FSFXTDXYRHHNML-MRXNPFEDSA-N 2 2 374.485 0.193 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000573108124 491413551 /nfs/dbraw/zinc/41/35/51/491413551.db2.gz GZAFBLRFLPPTBN-AWEZNQCLSA-N 2 2 350.488 0.775 20 0 FCADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cn2c1 ZINC000566021212 491413587 /nfs/dbraw/zinc/41/35/87/491413587.db2.gz QJDFMQHCHSEYLI-CABCVRRESA-N 2 2 373.482 0.646 20 0 FCADLP CC(C)(C)N1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1=O ZINC000573119901 491414256 /nfs/dbraw/zinc/41/42/56/491414256.db2.gz UZJSZLLOQAMUQF-KRWDZBQOSA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)N1CC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1=O ZINC000573119901 491414260 /nfs/dbraw/zinc/41/42/60/491414260.db2.gz UZJSZLLOQAMUQF-KRWDZBQOSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000566090227 491416432 /nfs/dbraw/zinc/41/64/32/491416432.db2.gz RKIKNKYNSUWTSV-QGZVFWFLSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000566132422 491419506 /nfs/dbraw/zinc/41/95/06/491419506.db2.gz XAAHODWTEDRBBU-ULQWZQFMSA-N 2 2 352.479 0.557 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000566132422 491419508 /nfs/dbraw/zinc/41/95/08/491419508.db2.gz XAAHODWTEDRBBU-ULQWZQFMSA-N 2 2 352.479 0.557 20 0 FCADLP COc1ccc(C[C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000573224551 491420178 /nfs/dbraw/zinc/42/01/78/491420178.db2.gz XGVNWFWMSGMURV-UKRRQHHQSA-N 2 2 350.463 0.919 20 0 FCADLP COc1ccc(C[C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000573224551 491420180 /nfs/dbraw/zinc/42/01/80/491420180.db2.gz XGVNWFWMSGMURV-UKRRQHHQSA-N 2 2 350.463 0.919 20 0 FCADLP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CC[NH+](CC(F)F)CC1 ZINC000573235595 491421357 /nfs/dbraw/zinc/42/13/57/491421357.db2.gz HDINVTWKYLAUTG-PBHICJAKSA-N 2 2 372.460 0.727 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000573280659 491424088 /nfs/dbraw/zinc/42/40/88/491424088.db2.gz MZWGSWISVIEXNU-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000573280659 491424090 /nfs/dbraw/zinc/42/40/90/491424090.db2.gz MZWGSWISVIEXNU-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573320636 491426064 /nfs/dbraw/zinc/42/60/64/491426064.db2.gz BVEOGIREPLBMHO-IAGOWNOFSA-N 2 2 366.506 0.333 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000573397740 491431401 /nfs/dbraw/zinc/43/14/01/491431401.db2.gz SHGYKJPRTVRQDH-UHFFFAOYSA-N 2 2 359.478 0.590 20 0 FCADLP COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000573425756 491432085 /nfs/dbraw/zinc/43/20/85/491432085.db2.gz AEEDUBYCXDYUNR-INIZCTEOSA-N 2 2 369.487 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000573442960 491433761 /nfs/dbraw/zinc/43/37/61/491433761.db2.gz YPPVWOVVXICSPC-CQSZACIVSA-N 2 2 360.487 0.880 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000573442960 491433763 /nfs/dbraw/zinc/43/37/63/491433763.db2.gz YPPVWOVVXICSPC-CQSZACIVSA-N 2 2 360.487 0.880 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000573451397 491434181 /nfs/dbraw/zinc/43/41/81/491434181.db2.gz SPZNZXVKFQDVOR-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000573451397 491434183 /nfs/dbraw/zinc/43/41/83/491434183.db2.gz SPZNZXVKFQDVOR-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000558523495 491434376 /nfs/dbraw/zinc/43/43/76/491434376.db2.gz AAIFWLFOFSNNIT-GOSISDBHSA-N 2 2 369.469 0.930 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000558523495 491434379 /nfs/dbraw/zinc/43/43/79/491434379.db2.gz AAIFWLFOFSNNIT-GOSISDBHSA-N 2 2 369.469 0.930 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000573476225 491436004 /nfs/dbraw/zinc/43/60/04/491436004.db2.gz PGOLQGWYOSIGGR-CQSZACIVSA-N 2 2 350.488 0.590 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)n2C ZINC000573505095 491437515 /nfs/dbraw/zinc/43/75/15/491437515.db2.gz BZGIHBGGMHWWBB-UHFFFAOYSA-N 2 2 360.462 0.875 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@H+]1CCOC(C)(C)C1)n2C ZINC000573505095 491437517 /nfs/dbraw/zinc/43/75/17/491437517.db2.gz BZGIHBGGMHWWBB-UHFFFAOYSA-N 2 2 360.462 0.875 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000566346856 491438387 /nfs/dbraw/zinc/43/83/87/491438387.db2.gz IFMQNDOTDMLXAB-UHFFFAOYSA-N 2 2 373.501 0.869 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCC[NH2+]C2)cn1 ZINC000573584091 491442578 /nfs/dbraw/zinc/44/25/78/491442578.db2.gz UUJAGINZCZPAMP-JYJNAYRXSA-N 2 2 352.458 0.774 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCC[NH2+]C2)cn1 ZINC000573584091 491442580 /nfs/dbraw/zinc/44/25/80/491442580.db2.gz UUJAGINZCZPAMP-JYJNAYRXSA-N 2 2 352.458 0.774 20 0 FCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573770627 491453809 /nfs/dbraw/zinc/45/38/09/491453809.db2.gz QWXMMHANZDHFPJ-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573770627 491453811 /nfs/dbraw/zinc/45/38/11/491453811.db2.gz QWXMMHANZDHFPJ-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000566584925 491454879 /nfs/dbraw/zinc/45/48/79/491454879.db2.gz XZSRBUWZJHMSKS-KKUMJFAQSA-N 2 2 359.474 0.927 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000566584925 491454880 /nfs/dbraw/zinc/45/48/80/491454880.db2.gz XZSRBUWZJHMSKS-KKUMJFAQSA-N 2 2 359.474 0.927 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000573847486 491458556 /nfs/dbraw/zinc/45/85/56/491458556.db2.gz PUMRWYPGOIUVGW-WMZOPIPTSA-N 2 2 358.486 0.774 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000566688925 491460571 /nfs/dbraw/zinc/46/05/71/491460571.db2.gz GNSVFQSDRPMQKF-HNNXBMFYSA-N 2 2 351.451 0.327 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000566688925 491460574 /nfs/dbraw/zinc/46/05/74/491460574.db2.gz GNSVFQSDRPMQKF-HNNXBMFYSA-N 2 2 351.451 0.327 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573902372 491461440 /nfs/dbraw/zinc/46/14/40/491461440.db2.gz JBAIFKZWUDOXNZ-ROUUACIJSA-N 2 2 372.469 0.988 20 0 FCADLP CSc1cccc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)c1 ZINC000573918354 491462354 /nfs/dbraw/zinc/46/23/54/491462354.db2.gz CCQVQYPMNSESLI-HIFRSBDPSA-N 2 2 362.499 0.863 20 0 FCADLP CSc1cccc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)c1 ZINC000573918354 491462356 /nfs/dbraw/zinc/46/23/56/491462356.db2.gz CCQVQYPMNSESLI-HIFRSBDPSA-N 2 2 362.499 0.863 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000573929537 491463539 /nfs/dbraw/zinc/46/35/39/491463539.db2.gz FCIWDZLOOATGQG-MRXNPFEDSA-N 2 2 373.457 0.424 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000573929537 491463540 /nfs/dbraw/zinc/46/35/40/491463540.db2.gz FCIWDZLOOATGQG-MRXNPFEDSA-N 2 2 373.457 0.424 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000559441107 491473445 /nfs/dbraw/zinc/47/34/45/491473445.db2.gz KNWXTPYTTPELEH-INIZCTEOSA-N 2 2 365.478 0.205 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000559441107 491473446 /nfs/dbraw/zinc/47/34/46/491473446.db2.gz KNWXTPYTTPELEH-INIZCTEOSA-N 2 2 365.478 0.205 20 0 FCADLP O=C(CC[C@H]1CC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000566970597 491478004 /nfs/dbraw/zinc/47/80/04/491478004.db2.gz AIBPTSOLWTYIHF-INIZCTEOSA-N 2 2 374.489 0.352 20 0 FCADLP O=C(CC[C@H]1CC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000566970597 491478006 /nfs/dbraw/zinc/47/80/06/491478006.db2.gz AIBPTSOLWTYIHF-INIZCTEOSA-N 2 2 374.489 0.352 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549432 491480103 /nfs/dbraw/zinc/48/01/03/491480103.db2.gz DMNZCKRSTPNINP-PVAVHDDUSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549432 491480105 /nfs/dbraw/zinc/48/01/05/491480105.db2.gz DMNZCKRSTPNINP-PVAVHDDUSA-N 2 2 366.506 0.058 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000559579301 491482607 /nfs/dbraw/zinc/48/26/07/491482607.db2.gz YNNCKSOTLIHBAQ-MRXNPFEDSA-N 2 2 374.489 0.358 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262110 491484717 /nfs/dbraw/zinc/48/47/17/491484717.db2.gz GVWIHKMXCKQFHF-QZTJIDSGSA-N 3 2 361.490 0.038 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262110 491484719 /nfs/dbraw/zinc/48/47/19/491484719.db2.gz GVWIHKMXCKQFHF-QZTJIDSGSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262110 491484722 /nfs/dbraw/zinc/48/47/22/491484722.db2.gz GVWIHKMXCKQFHF-QZTJIDSGSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262110 491484725 /nfs/dbraw/zinc/48/47/25/491484725.db2.gz GVWIHKMXCKQFHF-QZTJIDSGSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(CC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000683252896 493341393 /nfs/dbraw/zinc/34/13/93/493341393.db2.gz AMDQYXMYSXESCZ-GOSISDBHSA-N 2 2 362.543 0.968 20 0 FCADLP C[NH+]1CCN(CC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000683252896 493341397 /nfs/dbraw/zinc/34/13/97/493341397.db2.gz AMDQYXMYSXESCZ-GOSISDBHSA-N 2 2 362.543 0.968 20 0 FCADLP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000559686492 491491561 /nfs/dbraw/zinc/49/15/61/491491561.db2.gz MWIPFNYTMMYATD-HNNXBMFYSA-N 2 2 359.474 0.837 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000559755386 491495787 /nfs/dbraw/zinc/49/57/87/491495787.db2.gz LNEHVARANQJOKG-CVEARBPZSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000559755389 491496056 /nfs/dbraw/zinc/49/60/56/491496056.db2.gz LNEHVARANQJOKG-JKSUJKDBSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000567337088 491500061 /nfs/dbraw/zinc/50/00/61/491500061.db2.gz SUCNYYOXXHITDB-OEAJRASXSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000567337088 491500063 /nfs/dbraw/zinc/50/00/63/491500063.db2.gz SUCNYYOXXHITDB-OEAJRASXSA-N 2 2 352.458 0.630 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567471934 491508134 /nfs/dbraw/zinc/50/81/34/491508134.db2.gz ALJJKLKPQNDLSY-GJZGRUSLSA-N 2 2 364.515 0.754 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567471934 491508136 /nfs/dbraw/zinc/50/81/36/491508136.db2.gz ALJJKLKPQNDLSY-GJZGRUSLSA-N 2 2 364.515 0.754 20 0 FCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000567483044 491508991 /nfs/dbraw/zinc/50/89/91/491508991.db2.gz IJNSHTILWZVWGH-UHFFFAOYSA-N 2 2 353.448 0.488 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2=O)c1 ZINC000567492847 491509588 /nfs/dbraw/zinc/50/95/88/491509588.db2.gz WDGNCYHPEVJBBU-CRAIPNDOSA-N 2 2 363.458 0.854 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2=O)c1 ZINC000567492847 491509591 /nfs/dbraw/zinc/50/95/91/491509591.db2.gz WDGNCYHPEVJBBU-CRAIPNDOSA-N 2 2 363.458 0.854 20 0 FCADLP C[NH+](C)CCCCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000567532251 491512239 /nfs/dbraw/zinc/51/22/39/491512239.db2.gz OMLKXMFYXLRNMS-UHFFFAOYSA-N 2 2 361.490 0.968 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000567586309 491515827 /nfs/dbraw/zinc/51/58/27/491515827.db2.gz QMSGQRMXNUZZQK-YESZJQIVSA-N 2 2 367.469 0.545 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000567586309 491515830 /nfs/dbraw/zinc/51/58/30/491515830.db2.gz QMSGQRMXNUZZQK-YESZJQIVSA-N 2 2 367.469 0.545 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000567602970 491517535 /nfs/dbraw/zinc/51/75/35/491517535.db2.gz DXCRLIGKDHBWGT-MRXNPFEDSA-N 2 2 350.467 0.773 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000567602970 491517536 /nfs/dbraw/zinc/51/75/36/491517536.db2.gz DXCRLIGKDHBWGT-MRXNPFEDSA-N 2 2 350.467 0.773 20 0 FCADLP O=C1C[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)CN1CC[NH+]1CCOCC1 ZINC000567629087 491519093 /nfs/dbraw/zinc/51/90/93/491519093.db2.gz UBBRGTGRYLUBKQ-ZWKOTPCHSA-N 2 2 358.486 0.852 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000683375103 493348005 /nfs/dbraw/zinc/34/80/05/493348005.db2.gz HTSYPGMLUJRIBC-WMZOPIPTSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683375103 493348006 /nfs/dbraw/zinc/34/80/06/493348006.db2.gz HTSYPGMLUJRIBC-WMZOPIPTSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574823243 491522407 /nfs/dbraw/zinc/52/24/07/491522407.db2.gz JFLFUEUULATMJQ-NQBHXWOUSA-N 2 2 363.393 0.106 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574823243 491522408 /nfs/dbraw/zinc/52/24/08/491522408.db2.gz JFLFUEUULATMJQ-NQBHXWOUSA-N 2 2 363.393 0.106 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567776075 491529124 /nfs/dbraw/zinc/52/91/24/491529124.db2.gz PMEKWNNZNYOUNS-KRWDZBQOSA-N 2 2 370.457 0.969 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000567821549 491532122 /nfs/dbraw/zinc/53/21/22/491532122.db2.gz BZAYAZGCENNMGB-AWEZNQCLSA-N 2 2 369.849 0.753 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000567829441 491532312 /nfs/dbraw/zinc/53/23/12/491532312.db2.gz MNSUEXXRHOYHFG-MRXNPFEDSA-N 2 2 359.474 0.626 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000575025795 491534338 /nfs/dbraw/zinc/53/43/38/491534338.db2.gz WDQVQXRWWOHMCA-OAHLLOKOSA-N 2 2 367.881 0.674 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000575025794 491534438 /nfs/dbraw/zinc/53/44/38/491534438.db2.gz WDQVQXRWWOHMCA-HNNXBMFYSA-N 2 2 367.881 0.674 20 0 FCADLP COCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000567891106 491538528 /nfs/dbraw/zinc/53/85/28/491538528.db2.gz CVXJOPPWVWRGBI-MELADBBJSA-N 2 2 351.451 0.857 20 0 FCADLP COCc1noc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000567891106 491538529 /nfs/dbraw/zinc/53/85/29/491538529.db2.gz CVXJOPPWVWRGBI-MELADBBJSA-N 2 2 351.451 0.857 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CC([NH3+])C1 ZINC000567894760 491538920 /nfs/dbraw/zinc/53/89/20/491538920.db2.gz SFXXTXDCCMTJTE-UHFFFAOYSA-N 2 2 366.487 0.831 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CC([NH3+])C1 ZINC000567894760 491538922 /nfs/dbraw/zinc/53/89/22/491538922.db2.gz SFXXTXDCCMTJTE-UHFFFAOYSA-N 2 2 366.487 0.831 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000560509338 491543488 /nfs/dbraw/zinc/54/34/88/491543488.db2.gz CGDIWTXCQBJZAD-RVKKMQEKSA-N 2 2 370.515 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000560509338 491543489 /nfs/dbraw/zinc/54/34/89/491543489.db2.gz CGDIWTXCQBJZAD-RVKKMQEKSA-N 2 2 370.515 0.791 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C[C@@H](O)C[NH3+] ZINC000567990307 491545476 /nfs/dbraw/zinc/54/54/76/491545476.db2.gz RNKSOYFLXHFDFP-ZDUSSCGKSA-N 2 2 372.872 0.375 20 0 FCADLP C[N@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C[C@@H](O)C[NH3+] ZINC000567990307 491545478 /nfs/dbraw/zinc/54/54/78/491545478.db2.gz RNKSOYFLXHFDFP-ZDUSSCGKSA-N 2 2 372.872 0.375 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568057692 491550621 /nfs/dbraw/zinc/55/06/21/491550621.db2.gz MQUGVQLAGVRTCA-HZPDHXFCSA-N 2 2 371.485 0.910 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000560734831 491554321 /nfs/dbraw/zinc/55/43/21/491554321.db2.gz HZQUBADCUNRWFA-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000560764063 491555869 /nfs/dbraw/zinc/55/58/69/491555869.db2.gz LXOHQBLPXSTHQT-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598445 493349916 /nfs/dbraw/zinc/34/99/16/493349916.db2.gz NBIDXTFSKMVRMJ-IRXDYDNUSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598445 493349919 /nfs/dbraw/zinc/34/99/19/493349919.db2.gz NBIDXTFSKMVRMJ-IRXDYDNUSA-N 2 2 368.522 0.401 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568167859 491556776 /nfs/dbraw/zinc/55/67/76/491556776.db2.gz PWPIGTFPEXIZEX-HNNXBMFYSA-N 2 2 370.413 0.410 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000575750042 491558216 /nfs/dbraw/zinc/55/82/16/491558216.db2.gz KITADPYSXVXJBE-CABCVRRESA-N 2 2 365.499 0.703 20 0 FCADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000575783864 491560745 /nfs/dbraw/zinc/56/07/45/491560745.db2.gz LFUDMMQZQOPFBL-OAGGEKHMSA-N 2 2 363.458 0.723 20 0 FCADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000575783864 491560747 /nfs/dbraw/zinc/56/07/47/491560747.db2.gz LFUDMMQZQOPFBL-OAGGEKHMSA-N 2 2 363.458 0.723 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267340 491564406 /nfs/dbraw/zinc/56/44/06/491564406.db2.gz FBEWGEUOZGZMKG-ROUUACIJSA-N 2 2 370.497 0.858 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267340 491564409 /nfs/dbraw/zinc/56/44/09/491564409.db2.gz FBEWGEUOZGZMKG-ROUUACIJSA-N 2 2 370.497 0.858 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000568267344 491564543 /nfs/dbraw/zinc/56/45/43/491564543.db2.gz FGCQWKBVUDCJJY-SJLPKXTDSA-N 2 2 374.485 0.384 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000568267344 491564545 /nfs/dbraw/zinc/56/45/45/491564545.db2.gz FGCQWKBVUDCJJY-SJLPKXTDSA-N 2 2 374.485 0.384 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000560973399 491567989 /nfs/dbraw/zinc/56/79/89/491567989.db2.gz HMWBCRQXDNRWRI-HZPDHXFCSA-N 2 2 350.463 1.000 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC[C@H]3C[NH3+])ccn2)CC1 ZINC000575895303 491568725 /nfs/dbraw/zinc/56/87/25/491568725.db2.gz VEXXDAFFUAZQFR-HNNXBMFYSA-N 2 2 360.462 0.814 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000683421168 493351839 /nfs/dbraw/zinc/35/18/39/493351839.db2.gz RHRMGBHYNDMXFH-MRXNPFEDSA-N 2 2 352.479 0.357 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000561175301 491580154 /nfs/dbraw/zinc/58/01/54/491580154.db2.gz FJEGEKLURYWKNF-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000561175301 491580156 /nfs/dbraw/zinc/58/01/56/491580156.db2.gz FJEGEKLURYWKNF-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000561180714 491580687 /nfs/dbraw/zinc/58/06/87/491580687.db2.gz AXQQZWFQFZYFCD-DOTOQJQBSA-N 2 2 365.522 0.700 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000561196696 491582180 /nfs/dbraw/zinc/58/21/80/491582180.db2.gz ILDNIEADCGFQNP-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584362453 491583089 /nfs/dbraw/zinc/58/30/89/491583089.db2.gz ZUFFQLFWTLJHAR-NVXWUHKLSA-N 2 2 360.458 0.288 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584362453 491583091 /nfs/dbraw/zinc/58/30/91/491583091.db2.gz ZUFFQLFWTLJHAR-NVXWUHKLSA-N 2 2 360.458 0.288 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000577047762 491583440 /nfs/dbraw/zinc/58/34/40/491583440.db2.gz YUACBDFGKWKOBP-ZACQAIPSSA-N 2 2 366.506 0.347 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428459 493352676 /nfs/dbraw/zinc/35/26/76/493352676.db2.gz BTSIVKYNUODRIV-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428459 493352678 /nfs/dbraw/zinc/35/26/78/493352678.db2.gz BTSIVKYNUODRIV-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CCCC[NH3+])c2)CC1 ZINC000576162433 491588246 /nfs/dbraw/zinc/58/82/46/491588246.db2.gz HKJRLVWQGPHWSL-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447829 493353057 /nfs/dbraw/zinc/35/30/57/493353057.db2.gz OIIVXUMSPLIJOE-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447829 493353060 /nfs/dbraw/zinc/35/30/60/493353060.db2.gz OIIVXUMSPLIJOE-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561243414 491589093 /nfs/dbraw/zinc/58/90/93/491589093.db2.gz NQRPJDKCFKDAAF-HOTGVXAUSA-N 2 2 354.495 0.250 20 0 FCADLP COC1(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000584445262 491591818 /nfs/dbraw/zinc/59/18/18/491591818.db2.gz SBNBSWKGGDLMLF-UHFFFAOYSA-N 2 2 374.551 0.446 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121779 491592386 /nfs/dbraw/zinc/59/23/86/491592386.db2.gz IYKAJZURLRCVCU-OALUTQOASA-N 2 2 354.466 0.992 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121779 491592390 /nfs/dbraw/zinc/59/23/90/491592390.db2.gz IYKAJZURLRCVCU-OALUTQOASA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121779 491592391 /nfs/dbraw/zinc/59/23/91/491592391.db2.gz IYKAJZURLRCVCU-OALUTQOASA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121779 491592395 /nfs/dbraw/zinc/59/23/95/491592395.db2.gz IYKAJZURLRCVCU-OALUTQOASA-N 2 2 354.466 0.992 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000577162028 491596160 /nfs/dbraw/zinc/59/61/60/491596160.db2.gz FQIDBBDOPGJXLH-NSHDSACASA-N 2 2 373.454 0.183 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000577162028 491596162 /nfs/dbraw/zinc/59/61/62/491596162.db2.gz FQIDBBDOPGJXLH-NSHDSACASA-N 2 2 373.454 0.183 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188285 491599935 /nfs/dbraw/zinc/59/99/35/491599935.db2.gz CCACHORQUXTTGZ-LSDHHAIUSA-N 2 2 363.462 0.722 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000584527541 491600451 /nfs/dbraw/zinc/60/04/51/491600451.db2.gz REOINUKXQRILEA-LSDHHAIUSA-N 2 2 368.428 0.942 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000577208787 491601795 /nfs/dbraw/zinc/60/17/95/491601795.db2.gz DTTLJVDGORTGDH-QGZVFWFLSA-N 2 2 369.469 0.939 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000568730562 491604287 /nfs/dbraw/zinc/60/42/87/491604287.db2.gz MDMBRUIQONIEBD-HDICACEKSA-N 2 2 374.485 0.758 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000576388758 491610438 /nfs/dbraw/zinc/61/04/38/491610438.db2.gz FGPLEYUCZOUIQF-MOPGFXCFSA-N 2 2 370.497 0.850 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000577373053 491616351 /nfs/dbraw/zinc/61/63/51/491616351.db2.gz GQZBYLRRNUQFPZ-MSOLQXFVSA-N 2 2 356.470 0.399 20 0 FCADLP Cc1cnc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000561597696 491620153 /nfs/dbraw/zinc/62/01/53/491620153.db2.gz WHEDMJNORZHPKT-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP Cc1cnc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000561597696 491620154 /nfs/dbraw/zinc/62/01/54/491620154.db2.gz WHEDMJNORZHPKT-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000576578725 491626252 /nfs/dbraw/zinc/62/62/52/491626252.db2.gz KNSWKCOTZHOYTK-KQRABZDBSA-N 2 2 365.474 0.980 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600232 491628755 /nfs/dbraw/zinc/62/87/55/491628755.db2.gz WESSTRCGXDZFFF-IRXDYDNUSA-N 2 2 367.453 0.137 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600232 491628756 /nfs/dbraw/zinc/62/87/56/491628756.db2.gz WESSTRCGXDZFFF-IRXDYDNUSA-N 2 2 367.453 0.137 20 0 FCADLP Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2=O)cc1 ZINC000576611522 491629410 /nfs/dbraw/zinc/62/94/10/491629410.db2.gz GFTMCARCRIAQCR-IRXDYDNUSA-N 2 2 359.474 0.380 20 0 FCADLP Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2=O)cc1 ZINC000576611522 491629411 /nfs/dbraw/zinc/62/94/11/491629411.db2.gz GFTMCARCRIAQCR-IRXDYDNUSA-N 2 2 359.474 0.380 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000576626679 491631125 /nfs/dbraw/zinc/63/11/25/491631125.db2.gz FGIKPDHTQGDDGE-BPQIPLTHSA-N 2 2 371.485 0.497 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000562000612 491646131 /nfs/dbraw/zinc/64/61/31/491646131.db2.gz VJGUEUVXPTYCSU-KFWWJZLASA-N 2 2 362.478 0.214 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000562000612 491646133 /nfs/dbraw/zinc/64/61/33/491646133.db2.gz VJGUEUVXPTYCSU-KFWWJZLASA-N 2 2 362.478 0.214 20 0 FCADLP COCCCNC(=O)[C@@H](C)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000569352053 491654714 /nfs/dbraw/zinc/65/47/14/491654714.db2.gz UHFZBWIDLFVPIG-MRXNPFEDSA-N 2 2 351.495 0.512 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000576962916 491661116 /nfs/dbraw/zinc/66/11/16/491661116.db2.gz KUIAQRXYVIDMPO-ZBFHGGJFSA-N 2 2 361.490 0.867 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000578041510 491668606 /nfs/dbraw/zinc/66/86/06/491668606.db2.gz MNTXOGSVJZZCBK-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000578231143 491672793 /nfs/dbraw/zinc/67/27/93/491672793.db2.gz KAFDQTHNDFSJSI-KRWDZBQOSA-N 2 2 358.486 0.837 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578248083 491673221 /nfs/dbraw/zinc/67/32/21/491673221.db2.gz TZYOQTSTLGKVFC-ZWKOTPCHSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578248083 491673222 /nfs/dbraw/zinc/67/32/22/491673222.db2.gz TZYOQTSTLGKVFC-ZWKOTPCHSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578248081 491673271 /nfs/dbraw/zinc/67/32/71/491673271.db2.gz TZYOQTSTLGKVFC-QZTJIDSGSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578248081 491673272 /nfs/dbraw/zinc/67/32/72/491673272.db2.gz TZYOQTSTLGKVFC-QZTJIDSGSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCOCC1 ZINC000578344138 491675263 /nfs/dbraw/zinc/67/52/63/491675263.db2.gz JIZDVCZHXKMDGZ-QGZVFWFLSA-N 2 2 370.538 0.648 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000578390673 491676289 /nfs/dbraw/zinc/67/62/89/491676289.db2.gz LGCMEOPYQIZECO-LSDHHAIUSA-N 2 2 368.503 0.331 20 0 FCADLP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000578425614 491677009 /nfs/dbraw/zinc/67/70/09/491677009.db2.gz QUEXWIKASUKEDB-RDJZCZTQSA-N 2 2 365.522 0.747 20 0 FCADLP CN(C(=O)c1cccc(N)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000578443592 491677461 /nfs/dbraw/zinc/67/74/61/491677461.db2.gz IMWQRZUMPLFODO-UHFFFAOYSA-N 2 2 373.501 0.579 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000578504938 491678564 /nfs/dbraw/zinc/67/85/64/491678564.db2.gz AUGOQMRQSXAOBK-VSZNYVQBSA-N 2 2 371.485 0.428 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000578504938 491678565 /nfs/dbraw/zinc/67/85/65/491678565.db2.gz AUGOQMRQSXAOBK-VSZNYVQBSA-N 2 2 371.485 0.428 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000578530177 491679138 /nfs/dbraw/zinc/67/91/38/491679138.db2.gz UCPAEQAXDHKHIO-JYJNAYRXSA-N 2 2 353.511 0.840 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000578650205 491681784 /nfs/dbraw/zinc/68/17/84/491681784.db2.gz HJRZWTYKGFFSTE-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763315 491683824 /nfs/dbraw/zinc/68/38/24/491683824.db2.gz TWZGQTXFVIAVRS-ROUUACIJSA-N 2 2 361.486 0.911 20 0 FCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000578864018 491685858 /nfs/dbraw/zinc/68/58/58/491685858.db2.gz JHGIAXKPDSXLHT-GOEBONIOSA-N 2 2 351.495 0.228 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000578992517 491688537 /nfs/dbraw/zinc/68/85/37/491688537.db2.gz OFZJQCYCXDGTKG-KANFNMMFSA-N 3 2 353.470 0.997 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000579110572 491691239 /nfs/dbraw/zinc/69/12/39/491691239.db2.gz BPRJSEWBTGDIRD-TZMCWYRMSA-N 2 2 367.471 0.685 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000579110572 491691240 /nfs/dbraw/zinc/69/12/40/491691240.db2.gz BPRJSEWBTGDIRD-TZMCWYRMSA-N 2 2 367.471 0.685 20 0 FCADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000579227174 491693364 /nfs/dbraw/zinc/69/33/64/491693364.db2.gz RICNCBWCHTVOFN-MRXNPFEDSA-N 2 2 360.458 0.634 20 0 FCADLP CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000579226888 491693490 /nfs/dbraw/zinc/69/34/90/491693490.db2.gz AMFMCMAPCRXGFU-QZTJIDSGSA-N 2 2 363.458 0.138 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254196 491694056 /nfs/dbraw/zinc/69/40/56/491694056.db2.gz AKLAGMKDFIASLN-LSDHHAIUSA-N 2 2 355.483 0.597 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254196 491694057 /nfs/dbraw/zinc/69/40/57/491694057.db2.gz AKLAGMKDFIASLN-LSDHHAIUSA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254196 491694058 /nfs/dbraw/zinc/69/40/58/491694058.db2.gz AKLAGMKDFIASLN-LSDHHAIUSA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254196 491694059 /nfs/dbraw/zinc/69/40/59/491694059.db2.gz AKLAGMKDFIASLN-LSDHHAIUSA-N 2 2 355.483 0.597 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000579462039 491698285 /nfs/dbraw/zinc/69/82/85/491698285.db2.gz YLFXWEONBKJEJX-XSLAGTTESA-N 2 2 356.470 0.697 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000579462039 491698286 /nfs/dbraw/zinc/69/82/86/491698286.db2.gz YLFXWEONBKJEJX-XSLAGTTESA-N 2 2 356.470 0.697 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533069 491699871 /nfs/dbraw/zinc/69/98/71/491699871.db2.gz UOENMLCZFUQEIH-WMLDXEAASA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533069 491699872 /nfs/dbraw/zinc/69/98/72/491699872.db2.gz UOENMLCZFUQEIH-WMLDXEAASA-N 2 2 352.504 0.547 20 0 FCADLP COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579687837 491702910 /nfs/dbraw/zinc/70/29/10/491702910.db2.gz ICOOYRLKAHABGJ-LLVKDONJSA-N 2 2 366.418 0.597 20 0 FCADLP COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579687837 491702911 /nfs/dbraw/zinc/70/29/11/491702911.db2.gz ICOOYRLKAHABGJ-LLVKDONJSA-N 2 2 366.418 0.597 20 0 FCADLP O=C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000579701193 491703181 /nfs/dbraw/zinc/70/31/81/491703181.db2.gz LJBXSXKLNYLPOK-AZUAARDMSA-N 2 2 358.486 0.692 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000579740229 491704661 /nfs/dbraw/zinc/70/46/61/491704661.db2.gz WKWZOTWFZKSGAY-HOTGVXAUSA-N 2 2 356.511 0.447 20 0 FCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000579948620 491710836 /nfs/dbraw/zinc/71/08/36/491710836.db2.gz POGIHVVPLKKRMG-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000579972989 491711920 /nfs/dbraw/zinc/71/19/20/491711920.db2.gz RNXNZFWIRDBQCP-WBVHZDCISA-N 2 2 360.458 0.335 20 0 FCADLP CCCOc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000579972989 491711921 /nfs/dbraw/zinc/71/19/21/491711921.db2.gz RNXNZFWIRDBQCP-WBVHZDCISA-N 2 2 360.458 0.335 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000580062323 491715300 /nfs/dbraw/zinc/71/53/00/491715300.db2.gz GESCNXNJDFJYAU-ZFWWWQNUSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000580062320 491715368 /nfs/dbraw/zinc/71/53/68/491715368.db2.gz GESCNXNJDFJYAU-DZGCQCFKSA-N 2 2 350.488 0.588 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000580088318 491717100 /nfs/dbraw/zinc/71/71/00/491717100.db2.gz QAOMZQRESKXUIL-SUMWQHHRSA-N 2 2 365.503 0.290 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)CC1 ZINC000580211730 491721904 /nfs/dbraw/zinc/72/19/04/491721904.db2.gz HFAOCQFRVWYQPX-HXUWFJFHSA-N 2 2 374.485 0.263 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)CC1 ZINC000580211730 491721905 /nfs/dbraw/zinc/72/19/05/491721905.db2.gz HFAOCQFRVWYQPX-HXUWFJFHSA-N 2 2 374.485 0.263 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000585718580 491723745 /nfs/dbraw/zinc/72/37/45/491723745.db2.gz MROKIJDQNLBSKV-KRWDZBQOSA-N 2 2 367.490 0.585 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000585718580 491723746 /nfs/dbraw/zinc/72/37/46/491723746.db2.gz MROKIJDQNLBSKV-KRWDZBQOSA-N 2 2 367.490 0.585 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000580286416 491724198 /nfs/dbraw/zinc/72/41/98/491724198.db2.gz KBDFAXGMXNHLGM-CQSZACIVSA-N 2 2 356.430 0.675 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccsc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580431797 491731101 /nfs/dbraw/zinc/73/11/01/491731101.db2.gz GBSSVLWTCLSJOM-SFHVURJKSA-N 2 2 362.499 0.604 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000580462024 491732190 /nfs/dbraw/zinc/73/21/90/491732190.db2.gz NUUMPEFZWBWAFP-OAHLLOKOSA-N 2 2 358.508 0.015 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000580462024 491732191 /nfs/dbraw/zinc/73/21/91/491732191.db2.gz NUUMPEFZWBWAFP-OAHLLOKOSA-N 2 2 358.508 0.015 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)[C@H](C[NH3+])C1 ZINC000580532312 491734640 /nfs/dbraw/zinc/73/46/40/491734640.db2.gz IYQSTMKWNMZFRC-SECBINFHSA-N 2 2 351.398 0.989 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)[C@H](C[NH3+])C1 ZINC000580532312 491734642 /nfs/dbraw/zinc/73/46/42/491734642.db2.gz IYQSTMKWNMZFRC-SECBINFHSA-N 2 2 351.398 0.989 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583665 491737245 /nfs/dbraw/zinc/73/72/45/491737245.db2.gz ZJBIWXKNPZIKLN-IRXDYDNUSA-N 2 2 368.453 0.961 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583665 491737247 /nfs/dbraw/zinc/73/72/47/491737247.db2.gz ZJBIWXKNPZIKLN-IRXDYDNUSA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583665 491737248 /nfs/dbraw/zinc/73/72/48/491737248.db2.gz ZJBIWXKNPZIKLN-IRXDYDNUSA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583665 491737250 /nfs/dbraw/zinc/73/72/50/491737250.db2.gz ZJBIWXKNPZIKLN-IRXDYDNUSA-N 2 2 368.453 0.961 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000580663239 491740870 /nfs/dbraw/zinc/74/08/70/491740870.db2.gz MCLGXHZSXCNNEG-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000580663239 491740871 /nfs/dbraw/zinc/74/08/71/491740871.db2.gz MCLGXHZSXCNNEG-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236894 491743092 /nfs/dbraw/zinc/74/30/92/491743092.db2.gz WPLGUILNATUSIL-UONOGXRCSA-N 2 2 356.536 0.529 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236894 491743094 /nfs/dbraw/zinc/74/30/94/491743094.db2.gz WPLGUILNATUSIL-UONOGXRCSA-N 2 2 356.536 0.529 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000580716838 491743100 /nfs/dbraw/zinc/74/31/00/491743100.db2.gz QJYSDCXXPNEQBL-ULQDDVLXSA-N 2 2 366.506 0.048 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236895 491743171 /nfs/dbraw/zinc/74/31/71/491743171.db2.gz WPLGUILNATUSIL-ZIAGYGMSSA-N 2 2 356.536 0.529 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236895 491743172 /nfs/dbraw/zinc/74/31/72/491743172.db2.gz WPLGUILNATUSIL-ZIAGYGMSSA-N 2 2 356.536 0.529 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)[nH+]c12 ZINC000588361962 491744527 /nfs/dbraw/zinc/74/45/27/491744527.db2.gz NEWSCDFYJGYWFI-KRWDZBQOSA-N 2 2 369.469 0.950 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000580769417 491744816 /nfs/dbraw/zinc/74/48/16/491744816.db2.gz PFFMMRPQTZOJKE-QZTJIDSGSA-N 2 2 351.491 0.451 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000580769417 491744817 /nfs/dbraw/zinc/74/48/17/491744817.db2.gz PFFMMRPQTZOJKE-QZTJIDSGSA-N 2 2 351.491 0.451 20 0 FCADLP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000580774768 491745392 /nfs/dbraw/zinc/74/53/92/491745392.db2.gz NZSHKFACYRZHFR-GOSISDBHSA-N 2 2 360.502 0.812 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000588705572 491747047 /nfs/dbraw/zinc/74/70/47/491747047.db2.gz OIFMSDFGTLTOQY-MRXNPFEDSA-N 2 2 357.458 0.936 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000588705572 491747048 /nfs/dbraw/zinc/74/70/48/491747048.db2.gz OIFMSDFGTLTOQY-MRXNPFEDSA-N 2 2 357.458 0.936 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580832043 491747829 /nfs/dbraw/zinc/74/78/29/491747829.db2.gz OMCFTAUESLATKK-LSDHHAIUSA-N 2 2 362.478 0.545 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000581120838 491759946 /nfs/dbraw/zinc/75/99/46/491759946.db2.gz HAVYSJQKTDBXAB-DOTOQJQBSA-N 2 2 365.522 0.618 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581185279 491762804 /nfs/dbraw/zinc/76/28/04/491762804.db2.gz PFZRHNJPHNPAKU-LULLPPNCSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000581185279 491762805 /nfs/dbraw/zinc/76/28/05/491762805.db2.gz PFZRHNJPHNPAKU-LULLPPNCSA-N 2 2 370.497 0.915 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000581493806 491775102 /nfs/dbraw/zinc/77/51/02/491775102.db2.gz JQSDWSMMCTWQQB-UHFFFAOYSA-N 2 2 368.485 0.977 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000581493806 491775103 /nfs/dbraw/zinc/77/51/03/491775103.db2.gz JQSDWSMMCTWQQB-UHFFFAOYSA-N 2 2 368.485 0.977 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581557142 491777668 /nfs/dbraw/zinc/77/76/68/491777668.db2.gz BZSLVZCWZXCVRB-OAHLLOKOSA-N 2 2 373.461 0.555 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581557142 491777669 /nfs/dbraw/zinc/77/76/69/491777669.db2.gz BZSLVZCWZXCVRB-OAHLLOKOSA-N 2 2 373.461 0.555 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000581562968 491778026 /nfs/dbraw/zinc/77/80/26/491778026.db2.gz NPPVDQRMALNIMO-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000581562968 491778027 /nfs/dbraw/zinc/77/80/27/491778027.db2.gz NPPVDQRMALNIMO-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000581847816 491787300 /nfs/dbraw/zinc/78/73/00/491787300.db2.gz AEKPEYJQSGLGKS-KRWDZBQOSA-N 2 2 368.522 0.261 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000581847816 491787301 /nfs/dbraw/zinc/78/73/01/491787301.db2.gz AEKPEYJQSGLGKS-KRWDZBQOSA-N 2 2 368.522 0.261 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590871108 491788075 /nfs/dbraw/zinc/78/80/75/491788075.db2.gz NXRAUDDJUWARBE-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590871108 491788076 /nfs/dbraw/zinc/78/80/76/491788076.db2.gz NXRAUDDJUWARBE-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CS[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982598 491790915 /nfs/dbraw/zinc/79/09/15/491790915.db2.gz AXLVUZJOGQBGRO-JKSUJKDBSA-N 2 2 368.547 0.577 20 0 FCADLP CS[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982598 491790916 /nfs/dbraw/zinc/79/09/16/491790916.db2.gz AXLVUZJOGQBGRO-JKSUJKDBSA-N 2 2 368.547 0.577 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590982604 491791134 /nfs/dbraw/zinc/79/11/34/491791134.db2.gz DFURUKBZQNELND-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590982604 491791136 /nfs/dbraw/zinc/79/11/36/491791136.db2.gz DFURUKBZQNELND-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000581952097 491791642 /nfs/dbraw/zinc/79/16/42/491791642.db2.gz YTBBIEFUJFDDPJ-GOSISDBHSA-N 2 2 369.481 0.891 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000581952097 491791644 /nfs/dbraw/zinc/79/16/44/491791644.db2.gz YTBBIEFUJFDDPJ-GOSISDBHSA-N 2 2 369.481 0.891 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081362 491795658 /nfs/dbraw/zinc/79/56/58/491795658.db2.gz ABCLODOEVHOXMG-CQSZACIVSA-N 2 2 363.443 0.806 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591081362 491795660 /nfs/dbraw/zinc/79/56/60/491795660.db2.gz ABCLODOEVHOXMG-CQSZACIVSA-N 2 2 363.443 0.806 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000582116353 491798434 /nfs/dbraw/zinc/79/84/34/491798434.db2.gz YQPMFRREKMRHTL-BZSNNMDCSA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000582116353 491798435 /nfs/dbraw/zinc/79/84/35/491798435.db2.gz YQPMFRREKMRHTL-BZSNNMDCSA-N 2 2 356.470 0.570 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000591216691 491799004 /nfs/dbraw/zinc/79/90/04/491799004.db2.gz HQLLNPPHIFBWMH-UHFFFAOYSA-N 2 2 357.462 0.782 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+](C)C1 ZINC000591224735 491799052 /nfs/dbraw/zinc/79/90/52/491799052.db2.gz FKSQHBISPKDKSS-DOTOQJQBSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+](C)C1 ZINC000591224735 491799054 /nfs/dbraw/zinc/79/90/54/491799054.db2.gz FKSQHBISPKDKSS-DOTOQJQBSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224735 491799056 /nfs/dbraw/zinc/79/90/56/491799056.db2.gz FKSQHBISPKDKSS-DOTOQJQBSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224735 491799057 /nfs/dbraw/zinc/79/90/57/491799057.db2.gz FKSQHBISPKDKSS-DOTOQJQBSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000591282599 491800820 /nfs/dbraw/zinc/80/08/20/491800820.db2.gz BRGXVLFAZQIKPH-CQSZACIVSA-N 2 2 350.419 0.735 20 0 FCADLP COC(=O)CCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000591282599 491800821 /nfs/dbraw/zinc/80/08/21/491800821.db2.gz BRGXVLFAZQIKPH-CQSZACIVSA-N 2 2 350.419 0.735 20 0 FCADLP O=C(C[NH+]1CCC[C@H]1CF)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CF)CC1 ZINC000582194471 491802161 /nfs/dbraw/zinc/80/21/61/491802161.db2.gz KQUJCUYBLZZKTL-HOTGVXAUSA-N 2 2 372.460 0.525 20 0 FCADLP O=C(C[NH+]1CCC[C@H]1CF)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CF)CC1 ZINC000582194471 491802163 /nfs/dbraw/zinc/80/21/63/491802163.db2.gz KQUJCUYBLZZKTL-HOTGVXAUSA-N 2 2 372.460 0.525 20 0 FCADLP COc1ccc([C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000582253194 491804274 /nfs/dbraw/zinc/80/42/74/491804274.db2.gz QAEITEKIRBSDPO-ZFWWWQNUSA-N 2 2 357.414 0.112 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460723 491806633 /nfs/dbraw/zinc/80/66/33/491806633.db2.gz XJFODTQWNBOKTI-MJGOQNOKSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460723 491806634 /nfs/dbraw/zinc/80/66/34/491806634.db2.gz XJFODTQWNBOKTI-MJGOQNOKSA-N 2 2 360.502 0.812 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000582302170 491806849 /nfs/dbraw/zinc/80/68/49/491806849.db2.gz HGABBXKKLHPHEI-MRXNPFEDSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)C[C@H](C)O1 ZINC000582481755 491814072 /nfs/dbraw/zinc/81/40/72/491814072.db2.gz GJAWOJQUVORSKD-QKPAOTATSA-N 2 2 352.454 0.859 20 0 FCADLP CC[NH+](CC)CCN(C(=O)c1csc(C[NH3+])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000582607075 491819830 /nfs/dbraw/zinc/81/98/30/491819830.db2.gz PTIOBJNSBCIZRO-GFCCVEGCSA-N 2 2 374.532 0.573 20 0 FCADLP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000591801400 491823709 /nfs/dbraw/zinc/82/37/09/491823709.db2.gz COCVADDZWLDNJO-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1cccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000582722327 491823905 /nfs/dbraw/zinc/82/39/05/491823905.db2.gz CUGIFRQABSCNCN-ROUUACIJSA-N 2 2 374.485 0.353 20 0 FCADLP C[NH+](C)[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000582913400 491831967 /nfs/dbraw/zinc/83/19/67/491831967.db2.gz HSFLWOMJTPFXND-ROUUACIJSA-N 2 2 362.474 0.064 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582953643 491833886 /nfs/dbraw/zinc/83/38/86/491833886.db2.gz WPWFRVRUDYIKHR-LJQANCHMSA-N 2 2 373.505 0.384 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000582966920 491834535 /nfs/dbraw/zinc/83/45/35/491834535.db2.gz VCELBYPNYVTYAL-QGZVFWFLSA-N 2 2 360.458 0.295 20 0 FCADLP C[NH+](C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000583098766 491837993 /nfs/dbraw/zinc/83/79/93/491837993.db2.gz YTWWYUSYSNQJGR-KRWDZBQOSA-N 2 2 355.442 0.710 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000583441274 491845097 /nfs/dbraw/zinc/84/50/97/491845097.db2.gz UUDDQNLVUOHSFN-HUUCEWRRSA-N 2 2 360.458 0.633 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000583441274 491845098 /nfs/dbraw/zinc/84/50/98/491845098.db2.gz UUDDQNLVUOHSFN-HUUCEWRRSA-N 2 2 360.458 0.633 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC000583476980 491845685 /nfs/dbraw/zinc/84/56/85/491845685.db2.gz BOWSNCOXVHGYLV-JKSUJKDBSA-N 2 2 368.522 0.489 20 0 FCADLP COc1ccc([C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000583497511 491846136 /nfs/dbraw/zinc/84/61/36/491846136.db2.gz RTQAVPFWSIVWDI-DOTOQJQBSA-N 2 2 371.441 0.503 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)CC1 ZINC000584010892 491856691 /nfs/dbraw/zinc/85/66/91/491856691.db2.gz PUVZNVKKUAKFTE-UHFFFAOYSA-N 3 2 352.523 0.631 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000584172845 491860024 /nfs/dbraw/zinc/86/00/24/491860024.db2.gz HVNAACVKJOJBAT-LSDHHAIUSA-N 2 2 362.474 0.581 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000611671919 491866712 /nfs/dbraw/zinc/86/67/12/491866712.db2.gz HDCFPMWLNXCGDB-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000611671919 491866713 /nfs/dbraw/zinc/86/67/13/491866713.db2.gz HDCFPMWLNXCGDB-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000611671919 491866715 /nfs/dbraw/zinc/86/67/15/491866715.db2.gz HDCFPMWLNXCGDB-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611671919 491866717 /nfs/dbraw/zinc/86/67/17/491866717.db2.gz HDCFPMWLNXCGDB-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876297 491869944 /nfs/dbraw/zinc/86/99/44/491869944.db2.gz QHLCXVXTAIWGRM-DFBGVHRSSA-N 2 2 366.824 0.828 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876297 491869945 /nfs/dbraw/zinc/86/99/45/491869945.db2.gz QHLCXVXTAIWGRM-DFBGVHRSSA-N 2 2 366.824 0.828 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000611975159 491887312 /nfs/dbraw/zinc/88/73/12/491887312.db2.gz XJRRWLLVEPMFPI-GVDBMIGSSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611974916 491887376 /nfs/dbraw/zinc/88/73/76/491887376.db2.gz UNRYFKBNVZIRAF-MRXNPFEDSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)CC1 ZINC000611975160 491887433 /nfs/dbraw/zinc/88/74/33/491887433.db2.gz XJRRWLLVEPMFPI-ZACQAIPSSA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+]1CCN(CC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000600928734 491888796 /nfs/dbraw/zinc/88/87/96/491888796.db2.gz MNVHEIXBMOFOIP-INIZCTEOSA-N 2 2 365.547 0.400 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000600932080 491889550 /nfs/dbraw/zinc/88/95/50/491889550.db2.gz SNHLTJWKBBUARR-UHFFFAOYSA-N 2 2 360.502 0.895 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000601293939 491902012 /nfs/dbraw/zinc/90/20/12/491902012.db2.gz MGWRXJQUONSLJK-QBYUYEEZSA-N 2 2 362.474 0.948 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000601293939 491902013 /nfs/dbraw/zinc/90/20/13/491902013.db2.gz MGWRXJQUONSLJK-QBYUYEEZSA-N 2 2 362.474 0.948 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c[nH+]1 ZINC000595266474 491909349 /nfs/dbraw/zinc/90/93/49/491909349.db2.gz WHLFJPLPJQNMCX-CABCVRRESA-N 2 2 360.462 0.381 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cn21 ZINC000595275048 491910822 /nfs/dbraw/zinc/91/08/22/491910822.db2.gz ZBHBRLIBHDPNDO-HUUCEWRRSA-N 2 2 356.430 0.139 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612488114 491925169 /nfs/dbraw/zinc/92/51/69/491925169.db2.gz XJBLZDHQWMSCMS-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000595406370 491929670 /nfs/dbraw/zinc/92/96/70/491929670.db2.gz CXQJXNDAPXQKIO-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000595406370 491929671 /nfs/dbraw/zinc/92/96/71/491929671.db2.gz CXQJXNDAPXQKIO-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000612542643 491930655 /nfs/dbraw/zinc/93/06/55/491930655.db2.gz KGLBXHDMPUNICX-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000612542643 491930657 /nfs/dbraw/zinc/93/06/57/491930657.db2.gz KGLBXHDMPUNICX-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CCOC(=O)[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)=O ZINC000601804401 491950277 /nfs/dbraw/zinc/95/02/77/491950277.db2.gz KQQWWMXNFVNUNL-OAHLLOKOSA-N 2 2 362.430 0.930 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612783123 491950593 /nfs/dbraw/zinc/95/05/93/491950593.db2.gz XVJWJEPLDYJGBM-UHFFFAOYSA-N 2 2 366.506 0.015 20 0 FCADLP CCn1nccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000612825089 491953532 /nfs/dbraw/zinc/95/35/32/491953532.db2.gz AJGOQSZKICMDNU-UHFFFAOYSA-N 2 2 364.494 0.004 20 0 FCADLP CCn1nccc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612825089 491953535 /nfs/dbraw/zinc/95/35/35/491953535.db2.gz AJGOQSZKICMDNU-UHFFFAOYSA-N 2 2 364.494 0.004 20 0 FCADLP C[NH+](C)[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000596165786 491977922 /nfs/dbraw/zinc/97/79/22/491977922.db2.gz YKAXPDUPTUKYHQ-SFHVURJKSA-N 2 2 357.458 1.457 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000613555008 491985780 /nfs/dbraw/zinc/98/57/80/491985780.db2.gz AMKCYAPWPXVVGE-QZTJIDSGSA-N 2 2 356.470 0.690 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)on1 ZINC000602541595 491992802 /nfs/dbraw/zinc/99/28/02/491992802.db2.gz XFTIFLIWEUYJLU-UHFFFAOYSA-N 2 2 352.435 0.884 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000602659882 491995185 /nfs/dbraw/zinc/99/51/85/491995185.db2.gz UXTRBAPQFCCSNT-UHFFFAOYSA-N 2 2 362.474 0.798 20 0 FCADLP COC(=O)[C@@H](O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602795956 491998536 /nfs/dbraw/zinc/99/85/36/491998536.db2.gz ISSFPQCIVLSXRY-ICSRJNTNSA-N 2 2 362.470 0.869 20 0 FCADLP COC(=O)[C@@H](O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602795956 491998538 /nfs/dbraw/zinc/99/85/38/491998538.db2.gz ISSFPQCIVLSXRY-ICSRJNTNSA-N 2 2 362.470 0.869 20 0 FCADLP Cc1ccccc1C(=O)NC1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613996229 492009152 /nfs/dbraw/zinc/00/91/52/492009152.db2.gz QVXDPXNTHRGJOU-IRXDYDNUSA-N 2 2 370.497 0.867 20 0 FCADLP [NH3+]CCSCc1cn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000603216804 492019926 /nfs/dbraw/zinc/01/99/26/492019926.db2.gz RHAZAXMMMQQDNO-UHFFFAOYSA-N 2 2 364.475 0.407 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H](O)C[N@H+](C)C(C)C)nn2)CC1 ZINC000603260096 492022456 /nfs/dbraw/zinc/02/24/56/492022456.db2.gz OIZXZOCQIRJQCT-QGZVFWFLSA-N 2 2 367.494 0.754 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H](O)C[N@@H+](C)C(C)C)nn2)CC1 ZINC000603260096 492022457 /nfs/dbraw/zinc/02/24/57/492022457.db2.gz OIZXZOCQIRJQCT-QGZVFWFLSA-N 2 2 367.494 0.754 20 0 FCADLP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000603269825 492022820 /nfs/dbraw/zinc/02/28/20/492022820.db2.gz SKKROUDJFNMWCC-OAHLLOKOSA-N 2 2 369.429 0.041 20 0 FCADLP O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815098 492042407 /nfs/dbraw/zinc/04/24/07/492042407.db2.gz PDFWQARLCBYPON-FPOVZHCZSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000603815098 492042408 /nfs/dbraw/zinc/04/24/08/492042408.db2.gz PDFWQARLCBYPON-FPOVZHCZSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(C[N@@H+](CCCO)C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000605421877 492094859 /nfs/dbraw/zinc/09/48/59/492094859.db2.gz UYYYQNJDEWKLKC-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP O=C(C[N@H+](CCCO)C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000605421877 492094861 /nfs/dbraw/zinc/09/48/61/492094861.db2.gz UYYYQNJDEWKLKC-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP CN(CC(=O)N1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605875636 492104628 /nfs/dbraw/zinc/10/46/28/492104628.db2.gz BGDDYHSDUGPNPM-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP CN(CC(=O)N1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605875636 492104631 /nfs/dbraw/zinc/10/46/31/492104631.db2.gz BGDDYHSDUGPNPM-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605971275 492109711 /nfs/dbraw/zinc/10/97/11/492109711.db2.gz ZSIIACOUAQKGPL-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605971275 492109714 /nfs/dbraw/zinc/10/97/14/492109714.db2.gz ZSIIACOUAQKGPL-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 ZINC000616381590 492128549 /nfs/dbraw/zinc/12/85/49/492128549.db2.gz VIKMGLGYVWEURY-HNNXBMFYSA-N 2 2 374.551 0.333 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 ZINC000616381590 492128550 /nfs/dbraw/zinc/12/85/50/492128550.db2.gz VIKMGLGYVWEURY-HNNXBMFYSA-N 2 2 374.551 0.333 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607404503 492145463 /nfs/dbraw/zinc/14/54/63/492145463.db2.gz AACZFOVDVSAQBN-LJQANCHMSA-N 2 2 362.474 0.255 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607404503 492145466 /nfs/dbraw/zinc/14/54/66/492145466.db2.gz AACZFOVDVSAQBN-LJQANCHMSA-N 2 2 362.474 0.255 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(C)(C)CO ZINC000616868903 492146726 /nfs/dbraw/zinc/14/67/26/492146726.db2.gz WWZMBUCFEKUCDI-DZGCQCFKSA-N 2 2 365.478 0.006 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)ccc2n1C ZINC000608521702 492179443 /nfs/dbraw/zinc/17/94/43/492179443.db2.gz ABBWKGGHZVRIQK-UHFFFAOYSA-N 2 2 359.430 0.393 20 0 FCADLP C[C@H](CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000617754826 492189345 /nfs/dbraw/zinc/18/93/45/492189345.db2.gz BBDYYFMRXBSWJF-MRXNPFEDSA-N 2 2 361.490 0.967 20 0 FCADLP CN(C(=O)NCC1([S@](C)=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619672320 492275393 /nfs/dbraw/zinc/27/53/93/492275393.db2.gz HTJTUGDFDNMKON-OWJWWREXSA-N 2 2 356.536 0.707 20 0 FCADLP CN(C(=O)NCC1([S@](C)=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619672320 492275394 /nfs/dbraw/zinc/27/53/94/492275394.db2.gz HTJTUGDFDNMKON-OWJWWREXSA-N 2 2 356.536 0.707 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1=O ZINC000633896353 492300512 /nfs/dbraw/zinc/30/05/12/492300512.db2.gz FPJCYKHEIYOTIY-QGZVFWFLSA-N 2 2 374.485 0.447 20 0 FCADLP Cn1nnc2c1CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445699 492305351 /nfs/dbraw/zinc/30/53/51/492305351.db2.gz YPPHHHWKPOFICW-KGLIPLIRSA-N 2 2 361.494 0.140 20 0 FCADLP Cn1nnc2c1CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445699 492305353 /nfs/dbraw/zinc/30/53/53/492305353.db2.gz YPPHHHWKPOFICW-KGLIPLIRSA-N 2 2 361.494 0.140 20 0 FCADLP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627463616 492306468 /nfs/dbraw/zinc/30/64/68/492306468.db2.gz CTFKHVWJOGDQHE-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627463616 492306472 /nfs/dbraw/zinc/30/64/72/492306472.db2.gz CTFKHVWJOGDQHE-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474449 492312276 /nfs/dbraw/zinc/31/22/76/492312276.db2.gz OTCJVWVLXCNQRA-DZGCQCFKSA-N 2 2 366.487 0.058 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547608 492319712 /nfs/dbraw/zinc/31/97/12/492319712.db2.gz HMJGTWPIMWLZNS-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547608 492319714 /nfs/dbraw/zinc/31/97/14/492319714.db2.gz HMJGTWPIMWLZNS-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP Cc1cc(C)n(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c(=O)n1 ZINC000634194019 492325263 /nfs/dbraw/zinc/32/52/63/492325263.db2.gz QPVWXPCXZQIDPD-UHFFFAOYSA-N 2 2 356.430 0.646 20 0 FCADLP CCN(CC)S(=O)(=O)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634196641 492326889 /nfs/dbraw/zinc/32/68/89/492326889.db2.gz ZADQQYMHGCEBJT-UHFFFAOYSA-N 2 2 369.491 0.444 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627506551 492327073 /nfs/dbraw/zinc/32/70/73/492327073.db2.gz XILVVCOKADIQJH-MRXNPFEDSA-N 2 2 360.458 0.126 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3OCC4)C2)CC1 ZINC000627517603 492329813 /nfs/dbraw/zinc/32/98/13/492329813.db2.gz IUMAZMMYBMTPFC-OAHLLOKOSA-N 2 2 372.469 0.845 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3OCC4)C2)CC1 ZINC000627517603 492329815 /nfs/dbraw/zinc/32/98/15/492329815.db2.gz IUMAZMMYBMTPFC-OAHLLOKOSA-N 2 2 372.469 0.845 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)[C@H]1C ZINC000620747173 492332713 /nfs/dbraw/zinc/33/27/13/492332713.db2.gz NKQIPHBOSFAODE-OKILXGFUSA-N 2 2 358.446 0.844 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634298642 492334650 /nfs/dbraw/zinc/33/46/50/492334650.db2.gz WLPUFRUYFUXMNI-IAGOWNOFSA-N 2 2 365.522 0.857 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642105149 492334626 /nfs/dbraw/zinc/33/46/26/492334626.db2.gz IJGFWLBJZBXAMP-ZBFHGGJFSA-N 2 2 353.426 0.699 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655625 492335141 /nfs/dbraw/zinc/33/51/41/492335141.db2.gz RXXUHLQVLCAFFJ-IGKNDFSCSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655625 492335145 /nfs/dbraw/zinc/33/51/45/492335145.db2.gz RXXUHLQVLCAFFJ-IGKNDFSCSA-N 2 2 368.522 0.989 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642211886 492341480 /nfs/dbraw/zinc/34/14/80/492341480.db2.gz IQZUAMKMQBUOBO-CXAGYDPISA-N 2 2 373.457 0.426 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731853 492343870 /nfs/dbraw/zinc/34/38/70/492343870.db2.gz NZBVWDXEQPFFAV-IRXDYDNUSA-N 2 2 354.495 0.339 20 0 FCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731853 492343874 /nfs/dbraw/zinc/34/38/74/492343874.db2.gz NZBVWDXEQPFFAV-IRXDYDNUSA-N 2 2 354.495 0.339 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)ccn12 ZINC000654799774 492353215 /nfs/dbraw/zinc/35/32/15/492353215.db2.gz WWANVLOZLMGPKS-KRWDZBQOSA-N 2 2 357.458 0.779 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)ccn12 ZINC000654799774 492353218 /nfs/dbraw/zinc/35/32/18/492353218.db2.gz WWANVLOZLMGPKS-KRWDZBQOSA-N 2 2 357.458 0.779 20 0 FCADLP CC(C)[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000621155236 492359539 /nfs/dbraw/zinc/35/95/39/492359539.db2.gz BIYFAMQPPGVTJH-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)[nH+]c12 ZINC000642638803 492368184 /nfs/dbraw/zinc/36/81/84/492368184.db2.gz DTTFKBULEORUFV-MRXNPFEDSA-N 2 2 357.458 0.935 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCC3(C)CC[NH2+]CC3)[nH+]c12 ZINC000642638969 492368244 /nfs/dbraw/zinc/36/82/44/492368244.db2.gz ZOINJQYSXGPYAY-UHFFFAOYSA-N 2 2 357.458 0.807 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)[nH+]c12 ZINC000642638788 492368281 /nfs/dbraw/zinc/36/82/81/492368281.db2.gz CCLJSSUIDXJRRJ-HOCLYGCPSA-N 2 2 355.442 0.512 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621279740 492368717 /nfs/dbraw/zinc/36/87/17/492368717.db2.gz BDSOZBBLSHVMBJ-BBRMVZONSA-N 2 2 367.457 0.830 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621279740 492368719 /nfs/dbraw/zinc/36/87/19/492368719.db2.gz BDSOZBBLSHVMBJ-BBRMVZONSA-N 2 2 367.457 0.830 20 0 FCADLP CNS(=O)(=O)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000621294471 492372179 /nfs/dbraw/zinc/37/21/79/492372179.db2.gz BZZBCBDAKWCZBF-GOSISDBHSA-N 2 2 366.531 0.428 20 0 FCADLP CNS(=O)(=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000621294471 492372181 /nfs/dbraw/zinc/37/21/81/492372181.db2.gz BZZBCBDAKWCZBF-GOSISDBHSA-N 2 2 366.531 0.428 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c[nH+]1 ZINC000642687135 492373736 /nfs/dbraw/zinc/37/37/36/492373736.db2.gz PDAYKKLJPYHVGO-HIFRSBDPSA-N 2 2 363.462 0.119 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642754729 492386196 /nfs/dbraw/zinc/38/61/96/492386196.db2.gz BJLYLURZUYLYLJ-KRWDZBQOSA-N 2 2 373.501 0.183 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000621544586 492389721 /nfs/dbraw/zinc/38/97/21/492389721.db2.gz CPORZDIXYHIVHJ-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000621544586 492389723 /nfs/dbraw/zinc/38/97/23/492389723.db2.gz CPORZDIXYHIVHJ-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000642788972 492392535 /nfs/dbraw/zinc/39/25/35/492392535.db2.gz JZIAYCUZADZHSE-SFHVURJKSA-N 2 2 374.485 0.646 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000642788972 492392538 /nfs/dbraw/zinc/39/25/38/492392538.db2.gz JZIAYCUZADZHSE-SFHVURJKSA-N 2 2 374.485 0.646 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)c2ccc(C(=O)NC3C[NH+](C(C)C)C3)nc2)C1 ZINC000655051460 492396468 /nfs/dbraw/zinc/39/64/68/492396468.db2.gz NBZQPOKYJNLUBE-UHFFFAOYSA-N 2 2 359.474 0.726 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000648105699 492399256 /nfs/dbraw/zinc/39/92/56/492399256.db2.gz SPHIHOSMWYFOPK-KBPBESRZSA-N 2 2 353.488 0.831 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000642906234 492400376 /nfs/dbraw/zinc/40/03/76/492400376.db2.gz ARIVHUNXECZLHI-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000642906234 492400379 /nfs/dbraw/zinc/40/03/79/492400379.db2.gz ARIVHUNXECZLHI-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905680 492400847 /nfs/dbraw/zinc/40/08/47/492400847.db2.gz RMXXMPXZGWZILM-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905680 492400853 /nfs/dbraw/zinc/40/08/53/492400853.db2.gz RMXXMPXZGWZILM-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@H](C)C1 ZINC000642909486 492401754 /nfs/dbraw/zinc/40/17/54/492401754.db2.gz NZQAXZZPJMUICQ-LSDHHAIUSA-N 2 2 362.474 0.581 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@H](C)C1 ZINC000642909486 492401758 /nfs/dbraw/zinc/40/17/58/492401758.db2.gz NZQAXZZPJMUICQ-LSDHHAIUSA-N 2 2 362.474 0.581 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000642912389 492402296 /nfs/dbraw/zinc/40/22/96/492402296.db2.gz CKQWNBAOQRUEGR-LSDHHAIUSA-N 2 2 350.488 0.778 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000642919923 492404007 /nfs/dbraw/zinc/40/40/07/492404007.db2.gz NXNAFWNJLGTZAL-OAHLLOKOSA-N 2 2 374.485 0.769 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000621686869 492404766 /nfs/dbraw/zinc/40/47/66/492404766.db2.gz ZCPCTOGLDOJTIF-OXQOHEQNSA-N 2 2 371.485 0.850 20 0 FCADLP CN(C(=O)CCC(C)(C)[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152431 492409205 /nfs/dbraw/zinc/40/92/05/492409205.db2.gz DPAUBUYULSBUFX-UHFFFAOYSA-N 3 2 367.538 0.201 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642980747 492410091 /nfs/dbraw/zinc/41/00/91/492410091.db2.gz LCVNTERFPKKJTG-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642982657 492411053 /nfs/dbraw/zinc/41/10/53/492411053.db2.gz ZLKNSGLSJWWTRN-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000642982657 492411057 /nfs/dbraw/zinc/41/10/57/492411057.db2.gz ZLKNSGLSJWWTRN-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)nc2)CC1 ZINC000643033419 492415426 /nfs/dbraw/zinc/41/54/26/492415426.db2.gz NGAPONDYXIDVTB-GOEBONIOSA-N 2 2 365.503 0.206 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C2 ZINC000621838353 492421468 /nfs/dbraw/zinc/42/14/68/492421468.db2.gz CJUZYMONBJISAJ-NNFUDEMPSA-N 2 2 364.490 0.086 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000635239389 492421842 /nfs/dbraw/zinc/42/18/42/492421842.db2.gz CVIHTVGBFRAIQH-UHFFFAOYSA-N 2 2 362.474 0.893 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000621838999 492422129 /nfs/dbraw/zinc/42/21/29/492422129.db2.gz MEVPEYPPVAYUAU-RDTXWAMCSA-N 2 2 362.499 0.562 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000621838999 492422133 /nfs/dbraw/zinc/42/21/33/492422133.db2.gz MEVPEYPPVAYUAU-RDTXWAMCSA-N 2 2 362.499 0.562 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000627980561 492431074 /nfs/dbraw/zinc/43/10/74/492431074.db2.gz OTSWBXFFEBOANT-OAHLLOKOSA-N 2 2 370.409 0.995 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000627980561 492431080 /nfs/dbraw/zinc/43/10/80/492431080.db2.gz OTSWBXFFEBOANT-OAHLLOKOSA-N 2 2 370.409 0.995 20 0 FCADLP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc(C)[nH+]1 ZINC000643233446 492433143 /nfs/dbraw/zinc/43/31/43/492433143.db2.gz ARCDTFSKWLDDPV-SFHVURJKSA-N 2 2 361.490 0.904 20 0 FCADLP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(C)[nH+]1 ZINC000643233446 492433147 /nfs/dbraw/zinc/43/31/47/492433147.db2.gz ARCDTFSKWLDDPV-SFHVURJKSA-N 2 2 361.490 0.904 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028571 492443325 /nfs/dbraw/zinc/44/33/25/492443325.db2.gz SEGJDXXBRUKOEZ-NHYWBVRUSA-N 2 2 373.379 0.744 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000635399560 492443557 /nfs/dbraw/zinc/44/35/57/492443557.db2.gz GCRTVHRWNPGBEF-UHFFFAOYSA-N 2 2 370.457 0.754 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC000643478497 492474405 /nfs/dbraw/zinc/47/44/05/492474405.db2.gz ZKXLBASMPMGWQI-XLIONFOSSA-N 2 2 356.470 0.714 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC000643478497 492474406 /nfs/dbraw/zinc/47/44/06/492474406.db2.gz ZKXLBASMPMGWQI-XLIONFOSSA-N 2 2 356.470 0.714 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000643476974 492474702 /nfs/dbraw/zinc/47/47/02/492474702.db2.gz KVORILUBMHBNFS-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP O=C1[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCN1C1CCOCC1 ZINC000655731895 492478804 /nfs/dbraw/zinc/47/88/04/492478804.db2.gz VITPMTWBXBEQDD-QZTJIDSGSA-N 2 2 351.491 0.999 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643508397 492484643 /nfs/dbraw/zinc/48/46/43/492484643.db2.gz AEVWNGNBRAKUDN-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000643516582 492487259 /nfs/dbraw/zinc/48/72/59/492487259.db2.gz VOHJMNGBPDUTIS-NXHRZFHOSA-N 2 2 371.485 0.355 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643591781 492501413 /nfs/dbraw/zinc/50/14/13/492501413.db2.gz KADCWSHRNBXLTL-ARFHVFGLSA-N 2 2 352.479 0.038 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635831289 492512781 /nfs/dbraw/zinc/51/27/81/492512781.db2.gz XEKBHUPGHHPCFF-OAHLLOKOSA-N 2 2 358.490 0.968 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635831289 492512784 /nfs/dbraw/zinc/51/27/84/492512784.db2.gz XEKBHUPGHHPCFF-OAHLLOKOSA-N 2 2 358.490 0.968 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928941 492529631 /nfs/dbraw/zinc/52/96/31/492529631.db2.gz OWIHOFHCSSBPFE-ZHALLVOQSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928941 492529635 /nfs/dbraw/zinc/52/96/35/492529635.db2.gz OWIHOFHCSSBPFE-ZHALLVOQSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928941 492529638 /nfs/dbraw/zinc/52/96/38/492529638.db2.gz OWIHOFHCSSBPFE-ZHALLVOQSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928941 492529642 /nfs/dbraw/zinc/52/96/42/492529642.db2.gz OWIHOFHCSSBPFE-ZHALLVOQSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000649335779 492537377 /nfs/dbraw/zinc/53/73/77/492537377.db2.gz YNORWSYSUSDRME-MAUKXSAKSA-N 2 2 362.474 0.218 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335779 492537380 /nfs/dbraw/zinc/53/73/80/492537380.db2.gz YNORWSYSUSDRME-MAUKXSAKSA-N 2 2 362.474 0.218 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)ccc2[nH]c1=O ZINC000636022631 492540073 /nfs/dbraw/zinc/54/00/73/492540073.db2.gz PJARPEURSUNRLU-SJORKVTESA-N 2 2 373.457 0.459 20 0 FCADLP Nc1ncc2c(n1)C[N@@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000623294534 492540388 /nfs/dbraw/zinc/54/03/88/492540388.db2.gz FNHKTJDSJMJBTM-UHFFFAOYSA-N 2 2 367.457 0.551 20 0 FCADLP Nc1ncc2c(n1)C[N@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000623294534 492540391 /nfs/dbraw/zinc/54/03/91/492540391.db2.gz FNHKTJDSJMJBTM-UHFFFAOYSA-N 2 2 367.457 0.551 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](Cc3ccccn3)CC2)cnn1C ZINC000649349358 492542388 /nfs/dbraw/zinc/54/23/88/492542388.db2.gz CVGZOSVSANQBPR-MOPGFXCFSA-N 2 2 368.485 0.771 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623308296 492542782 /nfs/dbraw/zinc/54/27/82/492542782.db2.gz YWKMJNHNMVYITH-MRXNPFEDSA-N 2 2 354.458 0.921 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643788403 492560091 /nfs/dbraw/zinc/56/00/91/492560091.db2.gz WRBHHUVQHOGNKW-QGZVFWFLSA-N 2 2 360.458 0.525 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCOC3)c2)CC1 ZINC000643788437 492560114 /nfs/dbraw/zinc/56/01/14/492560114.db2.gz XLOFJWUFOVIJLO-QGZVFWFLSA-N 2 2 360.458 0.525 20 0 FCADLP CC[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000636315607 492579618 /nfs/dbraw/zinc/57/96/18/492579618.db2.gz NENQHTZCGLXGKV-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000636315607 492579622 /nfs/dbraw/zinc/57/96/22/492579622.db2.gz NENQHTZCGLXGKV-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000636318315 492582688 /nfs/dbraw/zinc/58/26/88/492582688.db2.gz UFPLLCRKJFQXFG-JFIYKMOQSA-N 2 2 368.522 0.353 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000656359875 492613057 /nfs/dbraw/zinc/61/30/57/492613057.db2.gz QUWKWSLZEQTBOQ-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000656359875 492613061 /nfs/dbraw/zinc/61/30/61/492613061.db2.gz QUWKWSLZEQTBOQ-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000656359875 492613064 /nfs/dbraw/zinc/61/30/64/492613064.db2.gz QUWKWSLZEQTBOQ-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000656359875 492613068 /nfs/dbraw/zinc/61/30/68/492613068.db2.gz QUWKWSLZEQTBOQ-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360618 492613328 /nfs/dbraw/zinc/61/33/28/492613328.db2.gz UJJCIZFVQRJOLU-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360618 492613331 /nfs/dbraw/zinc/61/33/31/492613331.db2.gz UJJCIZFVQRJOLU-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636557354 492622235 /nfs/dbraw/zinc/62/22/35/492622235.db2.gz RHYQGGJTALSCAL-QFBILLFUSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636557354 492622238 /nfs/dbraw/zinc/62/22/38/492622238.db2.gz RHYQGGJTALSCAL-QFBILLFUSA-N 2 2 368.522 0.776 20 0 FCADLP Cc1ccc2[nH+]c(Cn3cc(CNC(=O)C4CC[NH2+]CC4)nn3)cn2c1 ZINC000656448468 492623189 /nfs/dbraw/zinc/62/31/89/492623189.db2.gz IBRLMEMDZQMIDJ-UHFFFAOYSA-N 2 2 353.430 0.898 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000629419657 492624625 /nfs/dbraw/zinc/62/46/25/492624625.db2.gz QUMBSVARSXPFCJ-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543032 492642645 /nfs/dbraw/zinc/64/26/45/492642645.db2.gz RMKQHXSJUVIKRY-GJZGRUSLSA-N 2 2 351.495 0.369 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543032 492642647 /nfs/dbraw/zinc/64/26/47/492642647.db2.gz RMKQHXSJUVIKRY-GJZGRUSLSA-N 2 2 351.495 0.369 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629560205 492645822 /nfs/dbraw/zinc/64/58/22/492645822.db2.gz DPAOSIDQUHCZID-MGPQQGTHSA-N 2 2 364.412 0.573 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629560205 492645825 /nfs/dbraw/zinc/64/58/25/492645825.db2.gz DPAOSIDQUHCZID-MGPQQGTHSA-N 2 2 364.412 0.573 20 0 FCADLP O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000629577737 492654678 /nfs/dbraw/zinc/65/46/78/492654678.db2.gz SQCOMYXHAIPWGI-OAHLLOKOSA-N 2 2 371.478 0.912 20 0 FCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644156999 492655140 /nfs/dbraw/zinc/65/51/40/492655140.db2.gz UESZMJCIRZPSBU-WMLDXEAASA-N 2 2 374.489 0.396 20 0 FCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644156999 492655142 /nfs/dbraw/zinc/65/51/42/492655142.db2.gz UESZMJCIRZPSBU-WMLDXEAASA-N 2 2 374.489 0.396 20 0 FCADLP C[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2sccc2C1 ZINC000650679828 492660727 /nfs/dbraw/zinc/66/07/27/492660727.db2.gz AGPQCERKYRPTEN-XJKSGUPXSA-N 2 2 364.515 0.955 20 0 FCADLP C[C@@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000650679828 492660734 /nfs/dbraw/zinc/66/07/34/492660734.db2.gz AGPQCERKYRPTEN-XJKSGUPXSA-N 2 2 364.515 0.955 20 0 FCADLP C[C@@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@H+]1CCc2sccc2C1 ZINC000650679828 492660737 /nfs/dbraw/zinc/66/07/37/492660737.db2.gz AGPQCERKYRPTEN-XJKSGUPXSA-N 2 2 364.515 0.955 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000636708319 492668052 /nfs/dbraw/zinc/66/80/52/492668052.db2.gz KLISQKLVXQLHLA-HUUCEWRRSA-N 2 2 365.478 0.621 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000636708319 492668054 /nfs/dbraw/zinc/66/80/54/492668054.db2.gz KLISQKLVXQLHLA-HUUCEWRRSA-N 2 2 365.478 0.621 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000650797786 492669263 /nfs/dbraw/zinc/66/92/63/492669263.db2.gz DGBFEQAMPLBVML-UHFFFAOYSA-N 2 2 351.495 0.467 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629785705 492670932 /nfs/dbraw/zinc/67/09/32/492670932.db2.gz DJGZBJOEIWYZDM-UHFFFAOYSA-N 2 2 362.474 0.073 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000629787166 492671954 /nfs/dbraw/zinc/67/19/54/492671954.db2.gz UDGSJFXBYYWMAR-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000650864822 492677984 /nfs/dbraw/zinc/67/79/84/492677984.db2.gz FRQTXDXSACEAQO-QGZVFWFLSA-N 2 2 356.511 0.851 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000650864822 492677986 /nfs/dbraw/zinc/67/79/86/492677986.db2.gz FRQTXDXSACEAQO-QGZVFWFLSA-N 2 2 356.511 0.851 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000644253570 492683464 /nfs/dbraw/zinc/68/34/64/492683464.db2.gz FNMAGBTYJKLPLW-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000644253570 492683466 /nfs/dbraw/zinc/68/34/66/492683466.db2.gz FNMAGBTYJKLPLW-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[C@H]1C(F)(F)F ZINC000629814479 492685611 /nfs/dbraw/zinc/68/56/11/492685611.db2.gz SGTHSAVFXLKTOW-ZYHUDNBSSA-N 2 2 359.352 0.211 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000629815688 492686150 /nfs/dbraw/zinc/68/61/50/492686150.db2.gz SGTCHVZCIXITBN-MRXNPFEDSA-N 2 2 359.474 0.495 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[C@@H]1C(F)(F)F ZINC000629814477 492686297 /nfs/dbraw/zinc/68/62/97/492686297.db2.gz SGTHSAVFXLKTOW-PWSUYJOCSA-N 2 2 359.352 0.211 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000629816427 492686840 /nfs/dbraw/zinc/68/68/40/492686840.db2.gz VSJISRWAIFIMKK-FUHWJXTLSA-N 2 2 373.501 0.743 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793821 492695085 /nfs/dbraw/zinc/69/50/85/492695085.db2.gz GZKWEINQQKVCJG-WFASDCNBSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793821 492695087 /nfs/dbraw/zinc/69/50/87/492695087.db2.gz GZKWEINQQKVCJG-WFASDCNBSA-N 2 2 356.417 0.933 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)CC2 ZINC000629914578 492704861 /nfs/dbraw/zinc/70/48/61/492704861.db2.gz ALCPSOUZQMFYCS-INIZCTEOSA-N 2 2 363.458 0.245 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)CC2 ZINC000629914578 492704865 /nfs/dbraw/zinc/70/48/65/492704865.db2.gz ALCPSOUZQMFYCS-INIZCTEOSA-N 2 2 363.458 0.245 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)CC2 ZINC000629914578 492704868 /nfs/dbraw/zinc/70/48/68/492704868.db2.gz ALCPSOUZQMFYCS-INIZCTEOSA-N 2 2 363.458 0.245 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NCC[N@H+]1CC[C@H](O)C1)CC2 ZINC000629914578 492704871 /nfs/dbraw/zinc/70/48/71/492704871.db2.gz ALCPSOUZQMFYCS-INIZCTEOSA-N 2 2 363.458 0.245 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH+]1CCN(C(=O)C3CCC3)CC1)CC2 ZINC000651324603 492742794 /nfs/dbraw/zinc/74/27/94/492742794.db2.gz KPHIKXQYCLFNCZ-QGZVFWFLSA-N 2 2 373.501 0.814 20 0 FCADLP O=C(c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1)N1CCNC(=O)C1 ZINC000657315692 492748841 /nfs/dbraw/zinc/74/88/41/492748841.db2.gz QPAFMXVAIJOYLI-UHFFFAOYSA-N 2 2 353.426 0.691 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651437597 492757718 /nfs/dbraw/zinc/75/77/18/492757718.db2.gz GTGPWRUWLJGKTF-SFHVURJKSA-N 2 2 356.511 0.585 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000651437597 492757720 /nfs/dbraw/zinc/75/77/20/492757720.db2.gz GTGPWRUWLJGKTF-SFHVURJKSA-N 2 2 356.511 0.585 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CCC1 ZINC000637071780 492761177 /nfs/dbraw/zinc/76/11/77/492761177.db2.gz XGNHZTMCBNWQEG-GOSISDBHSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CCC1 ZINC000637071780 492761180 /nfs/dbraw/zinc/76/11/80/492761180.db2.gz XGNHZTMCBNWQEG-GOSISDBHSA-N 2 2 354.495 0.386 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCOCC3)cc2[nH+]1 ZINC000657642697 492770025 /nfs/dbraw/zinc/77/00/25/492770025.db2.gz FMVPYCQHEUGACZ-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H]1c1[nH+]ccn1C ZINC000625398906 492774857 /nfs/dbraw/zinc/77/48/57/492774857.db2.gz WHGUIMUGVIGANL-HOTGVXAUSA-N 2 2 363.462 0.261 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657743472 492787547 /nfs/dbraw/zinc/78/75/47/492787547.db2.gz BWNRTTAENSUVML-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657743472 492787553 /nfs/dbraw/zinc/78/75/53/492787553.db2.gz BWNRTTAENSUVML-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000657744069 492789350 /nfs/dbraw/zinc/78/93/50/492789350.db2.gz HBFQCHUHMUGSHZ-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000657744069 492789354 /nfs/dbraw/zinc/78/93/54/492789354.db2.gz HBFQCHUHMUGSHZ-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000637212933 492791076 /nfs/dbraw/zinc/79/10/76/492791076.db2.gz VYJXPRHLYJHDSB-LJQANCHMSA-N 2 2 373.457 0.749 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000637212933 492791080 /nfs/dbraw/zinc/79/10/80/492791080.db2.gz VYJXPRHLYJHDSB-LJQANCHMSA-N 2 2 373.457 0.749 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3CN(S(C)(=O)=O)C3)c2cc1C ZINC000644627218 492793348 /nfs/dbraw/zinc/79/33/48/492793348.db2.gz UYCIUTAHYONKCH-HNNXBMFYSA-N 2 2 366.487 0.495 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000637232300 492794278 /nfs/dbraw/zinc/79/42/78/492794278.db2.gz BTNQIHLYEHEIQG-RJYAGPCLSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000637232300 492794283 /nfs/dbraw/zinc/79/42/83/492794283.db2.gz BTNQIHLYEHEIQG-RJYAGPCLSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631070579 492796550 /nfs/dbraw/zinc/79/65/50/492796550.db2.gz AHLMYCBCAVAVAJ-OAHLLOKOSA-N 2 2 356.488 0.920 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000631104681 492798308 /nfs/dbraw/zinc/79/83/08/492798308.db2.gz FWVFDWBNBQEWQO-HNNXBMFYSA-N 2 2 356.488 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257816 492807008 /nfs/dbraw/zinc/80/70/08/492807008.db2.gz FSFJWNZBNQAJEQ-SCLBCKFNSA-N 2 2 361.442 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257816 492807010 /nfs/dbraw/zinc/80/70/10/492807010.db2.gz FSFJWNZBNQAJEQ-SCLBCKFNSA-N 2 2 361.442 0.817 20 0 FCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000657916328 492813937 /nfs/dbraw/zinc/81/39/37/492813937.db2.gz YQHODPCFJIWQIR-HOTGVXAUSA-N 2 2 372.477 0.552 20 0 FCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC000651833239 492830086 /nfs/dbraw/zinc/83/00/86/492830086.db2.gz VEFHUPAXOVLQGM-CQSZACIVSA-N 2 2 373.461 0.726 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631724432 492841128 /nfs/dbraw/zinc/84/11/28/492841128.db2.gz OOMLXYAAVWPMBH-UHFFFAOYSA-N 2 2 362.540 0.144 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000631736731 492844253 /nfs/dbraw/zinc/84/42/53/492844253.db2.gz VVZSYLNIPGYPRH-UHFFFAOYSA-N 2 2 372.510 0.819 20 0 FCADLP O=C(C(=O)N1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000658147949 492844490 /nfs/dbraw/zinc/84/44/90/492844490.db2.gz UEICJTZRNOBRIJ-UHFFFAOYSA-N 2 2 359.474 0.950 20 0 FCADLP C[C@@H]1CN(c2ccc(CNS(=O)(=O)CCC[NH+](C)C)c[nH+]2)CCO1 ZINC000631755432 492847639 /nfs/dbraw/zinc/84/76/39/492847639.db2.gz BLAJYJDKWWFKJB-CQSZACIVSA-N 2 2 356.492 0.678 20 0 FCADLP C[N@H+](CCNS(=O)(=O)CCCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000631788550 492853488 /nfs/dbraw/zinc/85/34/88/492853488.db2.gz VZMFPAHEDPEMBB-UHFFFAOYSA-N 2 2 368.547 0.675 20 0 FCADLP C[N@@H+](CCNS(=O)(=O)CCCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000631788550 492853493 /nfs/dbraw/zinc/85/34/93/492853493.db2.gz VZMFPAHEDPEMBB-UHFFFAOYSA-N 2 2 368.547 0.675 20 0 FCADLP Cc1cnn([C@H]2[C@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)C[C@@H]2O)c1 ZINC000658272722 492857712 /nfs/dbraw/zinc/85/77/12/492857712.db2.gz LFFKPVZRQKXRRL-QYZOEREBSA-N 2 2 363.506 0.252 20 0 FCADLP Cc1cnn([C@H]2[C@H]([NH2+]C3CC[NH+](CCN4CCOCC4)CC3)C[C@@H]2O)c1 ZINC000658272722 492857715 /nfs/dbraw/zinc/85/77/15/492857715.db2.gz LFFKPVZRQKXRRL-QYZOEREBSA-N 2 2 363.506 0.252 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000645066615 492858014 /nfs/dbraw/zinc/85/80/14/492858014.db2.gz PRBJQMDNQFKZRG-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000645066615 492858017 /nfs/dbraw/zinc/85/80/17/492858017.db2.gz PRBJQMDNQFKZRG-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@]1(O)CCCOC1 ZINC000658310089 492859349 /nfs/dbraw/zinc/85/93/49/492859349.db2.gz KXHAUEJANIWRSW-FQEVSTJZSA-N 2 2 369.550 0.940 20 0 FCADLP CC(C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@]1(O)CCCOC1 ZINC000658310089 492859353 /nfs/dbraw/zinc/85/93/53/492859353.db2.gz KXHAUEJANIWRSW-FQEVSTJZSA-N 2 2 369.550 0.940 20 0 FCADLP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ncc[nH]1 ZINC000631852483 492863524 /nfs/dbraw/zinc/86/35/24/492863524.db2.gz RMGCOPSOGIQKTE-UHFFFAOYSA-N 2 2 350.448 0.295 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](C[NH3+])C1 ZINC000637864314 492872228 /nfs/dbraw/zinc/87/22/28/492872228.db2.gz PMVJKQORYURIQK-WCQYABFASA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](C[NH3+])C1 ZINC000637864314 492872234 /nfs/dbraw/zinc/87/22/34/492872234.db2.gz PMVJKQORYURIQK-WCQYABFASA-N 2 2 352.385 0.419 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000631909582 492875914 /nfs/dbraw/zinc/87/59/14/492875914.db2.gz IXYVMBROPKAFMR-UHFFFAOYSA-N 2 2 358.533 0.794 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000658420148 492880072 /nfs/dbraw/zinc/88/00/72/492880072.db2.gz LDTGQQVWFUBSCN-KGLIPLIRSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000658420148 492880075 /nfs/dbraw/zinc/88/00/75/492880075.db2.gz LDTGQQVWFUBSCN-KGLIPLIRSA-N 2 2 372.429 0.431 20 0 FCADLP CC[C@@H](C)[C@@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000637941713 492881329 /nfs/dbraw/zinc/88/13/29/492881329.db2.gz FNVKOFOAXHCENP-HZPDHXFCSA-N 2 2 362.540 0.157 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645275546 492886517 /nfs/dbraw/zinc/88/65/17/492886517.db2.gz UEJGUDOJMRIVCO-OAHLLOKOSA-N 2 2 371.445 0.192 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000645319143 492892504 /nfs/dbraw/zinc/89/25/04/492892504.db2.gz MPTXQCRCPSYSTN-RDJZCZTQSA-N 2 2 355.442 0.884 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000645328172 492893270 /nfs/dbraw/zinc/89/32/70/492893270.db2.gz MALPAFPECPUFAE-KRWDZBQOSA-N 2 2 369.469 0.848 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000631949393 492896217 /nfs/dbraw/zinc/89/62/17/492896217.db2.gz FRZMWVIMBXBGMU-UHFFFAOYSA-N 2 2 353.492 0.700 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000638056404 492897945 /nfs/dbraw/zinc/89/79/45/492897945.db2.gz MMOCOVRFHCSWED-MRXNPFEDSA-N 2 2 352.504 0.546 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000638056404 492897947 /nfs/dbraw/zinc/89/79/47/492897947.db2.gz MMOCOVRFHCSWED-MRXNPFEDSA-N 2 2 352.504 0.546 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC000638058148 492897962 /nfs/dbraw/zinc/89/79/62/492897962.db2.gz ULZBRXDTXSEAKX-LLVKDONJSA-N 2 2 358.393 0.154 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090319 492903479 /nfs/dbraw/zinc/90/34/79/492903479.db2.gz HZYFYCOTPKGWJY-MNOVXSKESA-N 2 2 358.393 0.201 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090319 492903481 /nfs/dbraw/zinc/90/34/81/492903481.db2.gz HZYFYCOTPKGWJY-MNOVXSKESA-N 2 2 358.393 0.201 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638105414 492907165 /nfs/dbraw/zinc/90/71/65/492907165.db2.gz IAYOSVYBKXHVJL-NEPJUHHUSA-N 2 2 372.420 0.543 20 0 FCADLP COCC[N@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638105414 492907169 /nfs/dbraw/zinc/90/71/69/492907169.db2.gz IAYOSVYBKXHVJL-NEPJUHHUSA-N 2 2 372.420 0.543 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000638133717 492913428 /nfs/dbraw/zinc/91/34/28/492913428.db2.gz XGIWTNPHZMYNOZ-QAPCUYQASA-N 2 2 374.485 0.850 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1S(N)(=O)=O ZINC000652352656 492914862 /nfs/dbraw/zinc/91/48/62/492914862.db2.gz JNCZLWFFIKNHAW-GUYCJALGSA-N 2 2 366.487 0.642 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1S(N)(=O)=O ZINC000652352656 492914865 /nfs/dbraw/zinc/91/48/65/492914865.db2.gz JNCZLWFFIKNHAW-GUYCJALGSA-N 2 2 366.487 0.642 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000632086626 492925816 /nfs/dbraw/zinc/92/58/16/492925816.db2.gz HESLGFVXIMTMLH-OAHLLOKOSA-N 2 2 355.508 0.556 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000658539698 492937533 /nfs/dbraw/zinc/93/75/33/492937533.db2.gz GZCDGVBWXSRYCC-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000638406110 492943258 /nfs/dbraw/zinc/94/32/58/492943258.db2.gz FOAXHDSUBCONQR-DMUMMCEESA-N 2 2 359.470 0.865 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000638406110 492943264 /nfs/dbraw/zinc/94/32/64/492943264.db2.gz FOAXHDSUBCONQR-DMUMMCEESA-N 2 2 359.470 0.865 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638439513 492947431 /nfs/dbraw/zinc/94/74/31/492947431.db2.gz IYOBYDAXDNPCDH-AWEZNQCLSA-N 2 2 357.462 0.800 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658562108 492955951 /nfs/dbraw/zinc/95/59/51/492955951.db2.gz CTGPUGQDHKPJEH-INIZCTEOSA-N 2 2 358.486 0.739 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658562108 492955954 /nfs/dbraw/zinc/95/59/54/492955954.db2.gz CTGPUGQDHKPJEH-INIZCTEOSA-N 2 2 358.486 0.739 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCN1 ZINC000638528557 492958794 /nfs/dbraw/zinc/95/87/94/492958794.db2.gz DZVYXXHHQCUNAP-HZPDHXFCSA-N 2 2 374.489 0.540 20 0 FCADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652527845 492961615 /nfs/dbraw/zinc/96/16/15/492961615.db2.gz BUCQAHVPVSVGAX-GOSISDBHSA-N 2 2 360.502 0.782 20 0 FCADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652527845 492961617 /nfs/dbraw/zinc/96/16/17/492961617.db2.gz BUCQAHVPVSVGAX-GOSISDBHSA-N 2 2 360.502 0.782 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652528341 492962838 /nfs/dbraw/zinc/96/28/38/492962838.db2.gz SKYXHFBQIVUHNT-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652528341 492962840 /nfs/dbraw/zinc/96/28/40/492962840.db2.gz SKYXHFBQIVUHNT-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP O=C(N=c1ccn(CC[NH+]2CCOCC2)[nH]1)NCCC1CC[NH2+]CC1 ZINC000652579256 492969777 /nfs/dbraw/zinc/96/97/77/492969777.db2.gz QVMAFXASWGGJRG-UHFFFAOYSA-N 2 2 350.467 0.148 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]([NH3+])c3c(F)cccc3F)CC2)C1=O ZINC000638856744 492982292 /nfs/dbraw/zinc/98/22/92/492982292.db2.gz SSMXSBOZDKDNNW-GOEBONIOSA-N 2 2 366.412 0.776 20 0 FCADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@]12CCCO2 ZINC000638872851 492983492 /nfs/dbraw/zinc/98/34/92/492983492.db2.gz ZERBLRPSYPOERV-DODZYUBVSA-N 2 2 367.490 0.236 20 0 FCADLP O=C([C@H]1C[NH2+]CCO1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000645861541 492984850 /nfs/dbraw/zinc/98/48/50/492984850.db2.gz QXZPHZXWFPHVEX-OAHLLOKOSA-N 2 2 363.849 0.620 20 0 FCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1(C)C ZINC000639005715 492991523 /nfs/dbraw/zinc/99/15/23/492991523.db2.gz ZVMNFOHKDZJWNT-QFBILLFUSA-N 2 2 361.490 0.696 20 0 FCADLP CC(C)([NH3+])CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981704 492996270 /nfs/dbraw/zinc/99/62/70/492996270.db2.gz QOZRXXMCGZXBFS-AWEZNQCLSA-N 2 2 362.478 0.526 20 0 FCADLP CC(C)([NH3+])CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981704 492996273 /nfs/dbraw/zinc/99/62/73/492996273.db2.gz QOZRXXMCGZXBFS-AWEZNQCLSA-N 2 2 362.478 0.526 20 0 FCADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000639139725 492998671 /nfs/dbraw/zinc/99/86/71/492998671.db2.gz RKDZLRSEAOYFBR-INIZCTEOSA-N 2 2 353.488 0.878 20 0 FCADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000639139725 492998675 /nfs/dbraw/zinc/99/86/75/492998675.db2.gz RKDZLRSEAOYFBR-INIZCTEOSA-N 2 2 353.488 0.878 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000632458037 493002294 /nfs/dbraw/zinc/00/22/94/493002294.db2.gz UVTFMLKAMUGEFA-KFWWJZLASA-N 2 2 363.462 0.468 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000632476637 493005229 /nfs/dbraw/zinc/00/52/29/493005229.db2.gz HYYMGLVOIPAKDB-UHFFFAOYSA-N 2 2 363.462 0.329 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000639293083 493005254 /nfs/dbraw/zinc/00/52/54/493005254.db2.gz DDENAYILZSIRIG-SJORKVTESA-N 2 2 354.458 0.777 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000639293083 493005258 /nfs/dbraw/zinc/00/52/58/493005258.db2.gz DDENAYILZSIRIG-SJORKVTESA-N 2 2 354.458 0.777 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000652726245 493005565 /nfs/dbraw/zinc/00/55/65/493005565.db2.gz NPHHFFNLWZVPOF-UHFFFAOYSA-N 2 2 364.515 0.980 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652725913 493006172 /nfs/dbraw/zinc/00/61/72/493006172.db2.gz YAVURUBFUUTRBN-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736966 493012874 /nfs/dbraw/zinc/01/28/74/493012874.db2.gz VELQMDOBGXKWAE-YLJYHZDGSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736966 493012880 /nfs/dbraw/zinc/01/28/80/493012880.db2.gz VELQMDOBGXKWAE-YLJYHZDGSA-N 2 2 358.486 0.569 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559143 493020108 /nfs/dbraw/zinc/02/01/08/493020108.db2.gz OFUKCWAMDVGJQF-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559143 493020112 /nfs/dbraw/zinc/02/01/12/493020112.db2.gz OFUKCWAMDVGJQF-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639559143 493020115 /nfs/dbraw/zinc/02/01/15/493020115.db2.gz OFUKCWAMDVGJQF-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639559143 493020119 /nfs/dbraw/zinc/02/01/19/493020119.db2.gz OFUKCWAMDVGJQF-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP [NH3+]Cc1ccc(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000646189619 493025099 /nfs/dbraw/zinc/02/50/99/493025099.db2.gz YEHZGFFCFADSQU-UHFFFAOYSA-N 2 2 373.501 0.889 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702175 493034042 /nfs/dbraw/zinc/03/40/42/493034042.db2.gz OEKGIQHEMDEMLV-RDJZCZTQSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702175 493034046 /nfs/dbraw/zinc/03/40/46/493034046.db2.gz OEKGIQHEMDEMLV-RDJZCZTQSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)ccn1 ZINC000639702175 493034052 /nfs/dbraw/zinc/03/40/52/493034052.db2.gz OEKGIQHEMDEMLV-RDJZCZTQSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)ccn1 ZINC000639702175 493034056 /nfs/dbraw/zinc/03/40/56/493034056.db2.gz OEKGIQHEMDEMLV-RDJZCZTQSA-N 2 2 362.474 0.740 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000652997967 493054124 /nfs/dbraw/zinc/05/41/24/493054124.db2.gz UGLOAVWJCMNEMS-UHFFFAOYSA-N 2 2 359.430 0.688 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000653064281 493065328 /nfs/dbraw/zinc/06/53/28/493065328.db2.gz NGYOPWOQPYMXBR-ZDUSSCGKSA-N 2 2 353.467 0.026 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000653064015 493065354 /nfs/dbraw/zinc/06/53/54/493065354.db2.gz BSTNPEQTGKSSPS-ZDUSSCGKSA-N 2 2 362.883 0.014 20 0 FCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)NC ZINC000653070378 493066384 /nfs/dbraw/zinc/06/63/84/493066384.db2.gz SZFYHSNPLQGNLJ-GJZGRUSLSA-N 2 2 350.463 0.658 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000653080613 493067739 /nfs/dbraw/zinc/06/77/39/493067739.db2.gz MXCSEKMHMPEECK-RYUDHWBXSA-N 2 2 357.252 0.371 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000653080774 493068134 /nfs/dbraw/zinc/06/81/34/493068134.db2.gz SKBQAQZJQUWJFA-AWEZNQCLSA-N 2 2 354.401 0.528 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000653089310 493068590 /nfs/dbraw/zinc/06/85/90/493068590.db2.gz FCZHKEWXFTVOOE-ROUUACIJSA-N 2 2 373.501 0.215 20 0 FCADLP CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653095777 493069704 /nfs/dbraw/zinc/06/97/04/493069704.db2.gz VQGDYFRNGYQFHH-CQSZACIVSA-N 2 2 354.476 0.153 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000653098358 493069974 /nfs/dbraw/zinc/06/99/74/493069974.db2.gz KRYYEXLUQPDXRT-WFASDCNBSA-N 2 2 360.380 0.801 20 0 FCADLP COC[C@@](C)(CO)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000639950619 493070035 /nfs/dbraw/zinc/07/00/35/493070035.db2.gz BQTNFTNOPOEBKY-LJQANCHMSA-N 2 2 365.474 0.122 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCOCC2)cc1 ZINC000653111852 493071649 /nfs/dbraw/zinc/07/16/49/493071649.db2.gz DUNBFPQATVMINU-BJLQDIEVSA-N 2 2 359.470 0.721 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000626975885 493072738 /nfs/dbraw/zinc/07/27/38/493072738.db2.gz ICFFIJZDAMBOIQ-MSOLQXFVSA-N 2 2 362.474 0.218 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000653123991 493075286 /nfs/dbraw/zinc/07/52/86/493075286.db2.gz NJWXSQGDYYIDAZ-OAHLLOKOSA-N 3 2 355.527 0.008 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000632721805 493076925 /nfs/dbraw/zinc/07/69/25/493076925.db2.gz OZEKODURNNWNMQ-UHFFFAOYSA-N 2 2 368.503 0.646 20 0 FCADLP O=C([C@@H]1CCC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000653151435 493077937 /nfs/dbraw/zinc/07/79/37/493077937.db2.gz GWAGCLGQZFZWKM-MRXNPFEDSA-N 2 2 374.489 0.352 20 0 FCADLP O=C([C@@H]1CCC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000653151435 493077942 /nfs/dbraw/zinc/07/79/42/493077942.db2.gz GWAGCLGQZFZWKM-MRXNPFEDSA-N 2 2 374.489 0.352 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000653148144 493078057 /nfs/dbraw/zinc/07/80/57/493078057.db2.gz PHGRCLAWAPTFAS-ZDUSSCGKSA-N 2 2 370.475 0.394 20 0 FCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cs1 ZINC000653149692 493078176 /nfs/dbraw/zinc/07/81/76/493078176.db2.gz BLYDYNHEQOZOKJ-YOEHRIQHSA-N 2 2 350.488 0.722 20 0 FCADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cs1 ZINC000653149692 493078178 /nfs/dbraw/zinc/07/81/78/493078178.db2.gz BLYDYNHEQOZOKJ-YOEHRIQHSA-N 2 2 350.488 0.722 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000653155210 493079156 /nfs/dbraw/zinc/07/91/56/493079156.db2.gz LWJSABGHHQQYQW-OAHLLOKOSA-N 2 2 352.410 0.516 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000653154737 493079361 /nfs/dbraw/zinc/07/93/61/493079361.db2.gz ZSFBEQNDQVSAGF-HOTGVXAUSA-N 2 2 368.428 0.851 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000627005352 493079412 /nfs/dbraw/zinc/07/94/12/493079412.db2.gz XTWKRSNUIBMYOL-ZFWWWQNUSA-N 2 2 356.434 0.286 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000640050137 493079770 /nfs/dbraw/zinc/07/97/70/493079770.db2.gz XSFRVVDLWYZEQA-HNNXBMFYSA-N 2 2 355.866 0.786 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000640050137 493079772 /nfs/dbraw/zinc/07/97/72/493079772.db2.gz XSFRVVDLWYZEQA-HNNXBMFYSA-N 2 2 355.866 0.786 20 0 FCADLP C[C@H]1CN(CC[N@@H+]2C[C@@H]3C[C@H]2CN3CC[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000640050041 493080153 /nfs/dbraw/zinc/08/01/53/493080153.db2.gz VLSZQCFKAIRQBI-VJANTYMQSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@H]1CN(CC[N@H+]2C[C@@H]3C[C@H]2CN3CC[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000640050041 493080158 /nfs/dbraw/zinc/08/01/58/493080158.db2.gz VLSZQCFKAIRQBI-VJANTYMQSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@H]1CN(CC[NH+]2C[C@@H]3C[C@H]2CN3CC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000640050041 493080161 /nfs/dbraw/zinc/08/01/61/493080161.db2.gz VLSZQCFKAIRQBI-VJANTYMQSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@H]1CN(CC[NH+]2C[C@@H]3C[C@H]2CN3CC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000640050041 493080167 /nfs/dbraw/zinc/08/01/67/493080167.db2.gz VLSZQCFKAIRQBI-VJANTYMQSA-N 2 2 352.523 0.186 20 0 FCADLP COc1ccc(COC[C@@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049369 493080192 /nfs/dbraw/zinc/08/01/92/493080192.db2.gz LYXIYPGCWCFMNJ-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP COc1ccc(COC[C@@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049369 493080197 /nfs/dbraw/zinc/08/01/97/493080197.db2.gz LYXIYPGCWCFMNJ-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000640098685 493082877 /nfs/dbraw/zinc/08/28/77/493082877.db2.gz SEHIEXBBGRUXBA-QGZVFWFLSA-N 2 2 360.506 0.189 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)cn21 ZINC000627107724 493087823 /nfs/dbraw/zinc/08/78/23/493087823.db2.gz BMMLRISPCKEAQD-INIZCTEOSA-N 2 2 368.445 0.811 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000653274298 493087805 /nfs/dbraw/zinc/08/78/05/493087805.db2.gz CHXOMDSGUKTQFX-KRWDZBQOSA-N 2 2 365.478 0.228 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000646802118 493098927 /nfs/dbraw/zinc/09/89/27/493098927.db2.gz ICHOODSEELQQKG-UHFFFAOYSA-N 2 2 371.445 0.299 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983793 493099529 /nfs/dbraw/zinc/09/95/29/493099529.db2.gz YJCCLXFZGFUOAZ-ZWKOTPCHSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983793 493099533 /nfs/dbraw/zinc/09/95/33/493099533.db2.gz YJCCLXFZGFUOAZ-ZWKOTPCHSA-N 2 2 358.490 0.973 20 0 FCADLP CC1(C)[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000640520369 493111252 /nfs/dbraw/zinc/11/12/52/493111252.db2.gz QYGDPXFBWLTEIC-CVEARBPZSA-N 2 2 351.491 0.857 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640608834 493120419 /nfs/dbraw/zinc/12/04/19/493120419.db2.gz AYGCKSCVXFVZNX-MRXNPFEDSA-N 2 2 351.451 0.300 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000658988470 493121561 /nfs/dbraw/zinc/12/15/61/493121561.db2.gz CORJGISBASGUOB-CYBMUJFWSA-N 2 2 369.491 0.352 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000633129498 493134874 /nfs/dbraw/zinc/13/48/74/493134874.db2.gz NLOVWQONPAOUQV-NVXWUHKLSA-N 2 2 362.478 0.065 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000633129498 493134877 /nfs/dbraw/zinc/13/48/77/493134877.db2.gz NLOVWQONPAOUQV-NVXWUHKLSA-N 2 2 362.478 0.065 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000627291100 493135739 /nfs/dbraw/zinc/13/57/39/493135739.db2.gz KFVYOYFBXAYECC-JKSUJKDBSA-N 2 2 362.474 0.989 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000633138418 493135823 /nfs/dbraw/zinc/13/58/23/493135823.db2.gz BQVBFKSCBIDFQM-HOCLYGCPSA-N 2 2 355.442 0.838 20 0 FCADLP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000646972392 493136660 /nfs/dbraw/zinc/13/66/60/493136660.db2.gz VKSAANOCRSMAPA-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000646972392 493136664 /nfs/dbraw/zinc/13/66/64/493136664.db2.gz VKSAANOCRSMAPA-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000627293264 493137486 /nfs/dbraw/zinc/13/74/86/493137486.db2.gz OWGKXYSANNIZPM-WFASDCNBSA-N 2 2 368.865 0.164 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000646977504 493138764 /nfs/dbraw/zinc/13/87/64/493138764.db2.gz YHJVKYSGMJDPLF-INIZCTEOSA-N 2 2 357.458 0.936 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000646977504 493138768 /nfs/dbraw/zinc/13/87/68/493138768.db2.gz YHJVKYSGMJDPLF-INIZCTEOSA-N 2 2 357.458 0.936 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627312567 493146992 /nfs/dbraw/zinc/14/69/92/493146992.db2.gz BQJYVHVOCFXWKG-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098388 493150628 /nfs/dbraw/zinc/15/06/28/493150628.db2.gz OQMYNYHQDWNGBW-UHFFFAOYSA-N 2 2 361.446 0.553 20 0 FCADLP C[NH+]1CCN(C[C@H]2C[N@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551743 493158892 /nfs/dbraw/zinc/15/88/92/493158892.db2.gz WTIFBULJKFJRBT-LEWJYISDSA-N 2 2 374.529 0.840 20 0 FCADLP C[NH+]1CCN(C[C@H]2C[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551743 493158896 /nfs/dbraw/zinc/15/88/96/493158896.db2.gz WTIFBULJKFJRBT-LEWJYISDSA-N 2 2 374.529 0.840 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641053450 493164618 /nfs/dbraw/zinc/16/46/18/493164618.db2.gz SYQIIPFYQDMWHX-SJORKVTESA-N 2 2 365.522 0.857 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000659444179 493179321 /nfs/dbraw/zinc/17/93/21/493179321.db2.gz XEIVFZLSALQLCO-OAHLLOKOSA-N 2 2 350.463 0.805 20 0 FCADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H](O)C(F)(F)F ZINC000653788227 493179371 /nfs/dbraw/zinc/17/93/71/493179371.db2.gz AYGOSJCSUFPCFJ-CQSZACIVSA-N 2 2 369.428 0.847 20 0 FCADLP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H](O)C(F)(F)F ZINC000653788227 493179376 /nfs/dbraw/zinc/17/93/76/493179376.db2.gz AYGOSJCSUFPCFJ-CQSZACIVSA-N 2 2 369.428 0.847 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)Cn3cc(CN4CC[NH2+]CC4)nn3)c2cc1C ZINC000641213118 493181768 /nfs/dbraw/zinc/18/17/68/493181768.db2.gz BDEXQLYZNMHZNZ-KRWDZBQOSA-N 2 2 369.473 0.711 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641214267 493181905 /nfs/dbraw/zinc/18/19/05/493181905.db2.gz BGOTXJBOBCLBMN-LJQANCHMSA-N 2 2 359.474 0.646 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641214267 493181910 /nfs/dbraw/zinc/18/19/10/493181910.db2.gz BGOTXJBOBCLBMN-LJQANCHMSA-N 2 2 359.474 0.646 20 0 FCADLP COCC[N@H+](C)Cc1cn(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641228723 493185456 /nfs/dbraw/zinc/18/54/56/493185456.db2.gz CPYZOEBASBXKCR-IBGZPJMESA-N 2 2 359.474 0.993 20 0 FCADLP COCC[N@@H+](C)Cc1cn(C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641228723 493185463 /nfs/dbraw/zinc/18/54/63/493185463.db2.gz CPYZOEBASBXKCR-IBGZPJMESA-N 2 2 359.474 0.993 20 0 FCADLP COCC[NH+](C)Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641228723 493185473 /nfs/dbraw/zinc/18/54/73/493185473.db2.gz CPYZOEBASBXKCR-IBGZPJMESA-N 2 2 359.474 0.993 20 0 FCADLP COCC[NH+](C)Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641228723 493185480 /nfs/dbraw/zinc/18/54/80/493185480.db2.gz CPYZOEBASBXKCR-IBGZPJMESA-N 2 2 359.474 0.993 20 0 FCADLP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000641223996 493185811 /nfs/dbraw/zinc/18/58/11/493185811.db2.gz WOZDOZUKTIXDJQ-LJQANCHMSA-N 2 2 358.490 0.913 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000641223996 493185818 /nfs/dbraw/zinc/18/58/18/493185818.db2.gz WOZDOZUKTIXDJQ-LJQANCHMSA-N 2 2 358.490 0.913 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627385310 493193378 /nfs/dbraw/zinc/19/33/78/493193378.db2.gz HBQMMXWGEGRAMM-WOPDTQHZSA-N 2 2 361.368 0.374 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344586 493194608 /nfs/dbraw/zinc/19/46/08/493194608.db2.gz HQJRTGZOFJLCCS-WMZOPIPTSA-N 2 2 362.518 0.872 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344586 493194616 /nfs/dbraw/zinc/19/46/16/493194616.db2.gz HQJRTGZOFJLCCS-WMZOPIPTSA-N 2 2 362.518 0.872 20 0 FCADLP CN(C(=O)C(=O)N1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344514 493195700 /nfs/dbraw/zinc/19/57/00/493195700.db2.gz AYQZSBLLCKPXOH-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C(=O)C(=O)N1CCOC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344514 493195703 /nfs/dbraw/zinc/19/57/03/493195703.db2.gz AYQZSBLLCKPXOH-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCC(=O)N1C ZINC000659521286 493204494 /nfs/dbraw/zinc/20/44/94/493204494.db2.gz GGXFBQSKDWZGFD-FQLMCAECSA-N 2 2 362.478 0.899 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000672597618 493213456 /nfs/dbraw/zinc/21/34/56/493213456.db2.gz MTJSHCKOXGXJPW-DLBZAZTESA-N 2 2 368.522 0.593 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000672597618 493213461 /nfs/dbraw/zinc/21/34/61/493213461.db2.gz MTJSHCKOXGXJPW-DLBZAZTESA-N 2 2 368.522 0.593 20 0 FCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)[C@@H]1c1cnn(C)c1 ZINC000659569446 493214815 /nfs/dbraw/zinc/21/48/15/493214815.db2.gz HZKHMCWTVZOMHX-PWFYPYPJSA-N 2 2 362.478 0.315 20 0 FCADLP CC[N@H+]1CCO[C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)[C@@H]1c1cnn(C)c1 ZINC000659569446 493214821 /nfs/dbraw/zinc/21/48/21/493214821.db2.gz HZKHMCWTVZOMHX-PWFYPYPJSA-N 2 2 362.478 0.315 20 0 FCADLP CCc1ccnc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637351 493219811 /nfs/dbraw/zinc/21/98/11/493219811.db2.gz FICCLKHSEPLGJR-INIZCTEOSA-N 2 2 373.501 0.545 20 0 FCADLP CCc1ccnc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637351 493219814 /nfs/dbraw/zinc/21/98/14/493219814.db2.gz FICCLKHSEPLGJR-INIZCTEOSA-N 2 2 373.501 0.545 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672638048 493220975 /nfs/dbraw/zinc/22/09/75/493220975.db2.gz QPEOTMPIUPUETP-OAGGEKHMSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672638048 493220977 /nfs/dbraw/zinc/22/09/77/493220977.db2.gz QPEOTMPIUPUETP-OAGGEKHMSA-N 2 2 350.507 0.776 20 0 FCADLP CCc1cnccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639165 493221393 /nfs/dbraw/zinc/22/13/93/493221393.db2.gz JBAIARQWAGTDAY-QGZVFWFLSA-N 2 2 373.501 0.545 20 0 FCADLP CCc1cnccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639165 493221395 /nfs/dbraw/zinc/22/13/95/493221395.db2.gz JBAIARQWAGTDAY-QGZVFWFLSA-N 2 2 373.501 0.545 20 0 FCADLP COCC[NH2+]CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000666734273 493221661 /nfs/dbraw/zinc/22/16/61/493221661.db2.gz GEHPCLPBGQILDM-UHFFFAOYSA-N 2 2 363.462 0.432 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638248 493221627 /nfs/dbraw/zinc/22/16/27/493221627.db2.gz RJBJQUOHWNAVEV-MRXNPFEDSA-N 3 2 367.538 0.071 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638248 493221630 /nfs/dbraw/zinc/22/16/30/493221630.db2.gz RJBJQUOHWNAVEV-MRXNPFEDSA-N 3 2 367.538 0.071 20 0 FCADLP CC[C@@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641201 493223628 /nfs/dbraw/zinc/22/36/28/493223628.db2.gz NEXSCAZJBRPZOX-KXBFYZLASA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641201 493223631 /nfs/dbraw/zinc/22/36/31/493223631.db2.gz NEXSCAZJBRPZOX-KXBFYZLASA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672639998 493224161 /nfs/dbraw/zinc/22/41/61/493224161.db2.gz RBXOYLOJJCNLJV-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672639998 493224166 /nfs/dbraw/zinc/22/41/66/493224166.db2.gz RBXOYLOJJCNLJV-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP COCCC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640882 493224262 /nfs/dbraw/zinc/22/42/62/493224262.db2.gz LGLSBQGRLRMKMM-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP COCCC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640882 493224265 /nfs/dbraw/zinc/22/42/65/493224265.db2.gz LGLSBQGRLRMKMM-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H](c1ccccn1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642136 493226078 /nfs/dbraw/zinc/22/60/78/493226078.db2.gz YNFOBBPXPISUPI-HZPDHXFCSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1ccccn1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642136 493226081 /nfs/dbraw/zinc/22/60/81/493226081.db2.gz YNFOBBPXPISUPI-HZPDHXFCSA-N 2 2 373.501 0.886 20 0 FCADLP Cc1cnccc1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641397 493226512 /nfs/dbraw/zinc/22/65/12/493226512.db2.gz PWSWPSFYBGQNEM-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1cnccc1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641397 493226515 /nfs/dbraw/zinc/22/65/15/493226515.db2.gz PWSWPSFYBGQNEM-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@H]3CCCCO3)C2)CC1 ZINC000672642655 493226866 /nfs/dbraw/zinc/22/68/66/493226866.db2.gz RWJAUBXARRHQTR-NVXWUHKLSA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@H]3CCCCO3)C2)CC1 ZINC000672642655 493226870 /nfs/dbraw/zinc/22/68/70/493226870.db2.gz RWJAUBXARRHQTR-NVXWUHKLSA-N 2 2 366.506 0.347 20 0 FCADLP CN(C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C)[C@H]1CCC[NH2+]CC1 ZINC000659641671 493227103 /nfs/dbraw/zinc/22/71/03/493227103.db2.gz QKCZFYRZCUKAKP-SQWLQELKSA-N 2 2 362.478 0.866 20 0 FCADLP CN(C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C)[C@@H]1CCC[NH2+]CC1 ZINC000659641670 493227436 /nfs/dbraw/zinc/22/74/36/493227436.db2.gz QKCZFYRZCUKAKP-IIAWOOMASA-N 2 2 362.478 0.866 20 0 FCADLP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)C[C@@H]1C[NH3+] ZINC000659640461 493227450 /nfs/dbraw/zinc/22/74/50/493227450.db2.gz GJGZGCIMNFDUET-HLPPOEQASA-N 2 2 362.478 0.708 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000659639817 493227482 /nfs/dbraw/zinc/22/74/82/493227482.db2.gz FCAADOLOOLBKEP-DSJMHWKBSA-N 2 2 362.478 0.851 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642915 493227603 /nfs/dbraw/zinc/22/76/03/493227603.db2.gz JUHMFGVDRCVRIG-CABCVRRESA-N 2 2 368.547 0.625 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642915 493227604 /nfs/dbraw/zinc/22/76/04/493227604.db2.gz JUHMFGVDRCVRIG-CABCVRRESA-N 2 2 368.547 0.625 20 0 FCADLP Cc1cnc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672643223 493227639 /nfs/dbraw/zinc/22/76/39/493227639.db2.gz UWUDLMFFBNVSBN-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1cnc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672643223 493227642 /nfs/dbraw/zinc/22/76/42/493227642.db2.gz UWUDLMFFBNVSBN-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC(=O)N1C ZINC000659642618 493227775 /nfs/dbraw/zinc/22/77/75/493227775.db2.gz XMNMTFCSAHHIIP-YXWQFLTLSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC(=O)N1C ZINC000659642633 493227852 /nfs/dbraw/zinc/22/78/52/493227852.db2.gz XUMVOLAQZLDFTR-PFFSRIRZSA-N 2 2 374.489 0.851 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@H](C[NH3+])C1 ZINC000659690799 493255252 /nfs/dbraw/zinc/25/52/52/493255252.db2.gz XALUIWAMPIPXDQ-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641593710 493260543 /nfs/dbraw/zinc/26/05/43/493260543.db2.gz XAYKPVUTGJQVLD-UHFFFAOYSA-N 2 2 357.524 0.776 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641593710 493260548 /nfs/dbraw/zinc/26/05/48/493260548.db2.gz XAYKPVUTGJQVLD-UHFFFAOYSA-N 2 2 357.524 0.776 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc2[nH+]ccn2c1 ZINC000641666871 493273043 /nfs/dbraw/zinc/27/30/43/493273043.db2.gz MGUCZWYCCYKXAQ-QGZVFWFLSA-N 2 2 357.458 0.861 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc2[nH+]ccn2c1 ZINC000641666871 493273046 /nfs/dbraw/zinc/27/30/46/493273046.db2.gz MGUCZWYCCYKXAQ-QGZVFWFLSA-N 2 2 357.458 0.861 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000659751821 493285966 /nfs/dbraw/zinc/28/59/66/493285966.db2.gz WTCUPAOTJYUNDQ-AWEZNQCLSA-N 2 2 362.478 0.281 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000659816453 493292205 /nfs/dbraw/zinc/29/22/05/493292205.db2.gz LHRGELVJINMVBS-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000659898001 493299722 /nfs/dbraw/zinc/29/97/22/493299722.db2.gz SAXLGZFNROSIBS-BBWFWOEESA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000659898001 493299725 /nfs/dbraw/zinc/29/97/25/493299725.db2.gz SAXLGZFNROSIBS-BBWFWOEESA-N 2 2 368.522 0.543 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682476442 493302349 /nfs/dbraw/zinc/30/23/49/493302349.db2.gz MTRCQDCORATFPY-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000673219514 493304354 /nfs/dbraw/zinc/30/43/54/493304354.db2.gz KRHUFIHPSGNKPL-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000673219514 493304356 /nfs/dbraw/zinc/30/43/56/493304356.db2.gz KRHUFIHPSGNKPL-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673284724 493312128 /nfs/dbraw/zinc/31/21/28/493312128.db2.gz MQLNNTMKJUILSY-KRWDZBQOSA-N 2 2 362.474 0.326 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673284724 493312130 /nfs/dbraw/zinc/31/21/30/493312130.db2.gz MQLNNTMKJUILSY-KRWDZBQOSA-N 2 2 362.474 0.326 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000673286859 493312584 /nfs/dbraw/zinc/31/25/84/493312584.db2.gz VEGVIXAPCUIZPO-KRWDZBQOSA-N 2 2 374.485 0.204 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000673286859 493312586 /nfs/dbraw/zinc/31/25/86/493312586.db2.gz VEGVIXAPCUIZPO-KRWDZBQOSA-N 2 2 374.485 0.204 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287892 493313267 /nfs/dbraw/zinc/31/32/67/493313267.db2.gz GPBGRJUOIAUGJJ-XWIAVFTESA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287892 493313270 /nfs/dbraw/zinc/31/32/70/493313270.db2.gz GPBGRJUOIAUGJJ-XWIAVFTESA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287892 493313273 /nfs/dbraw/zinc/31/32/73/493313273.db2.gz GPBGRJUOIAUGJJ-XWIAVFTESA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287892 493313276 /nfs/dbraw/zinc/31/32/76/493313276.db2.gz GPBGRJUOIAUGJJ-XWIAVFTESA-N 2 2 356.470 0.888 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302430 493315243 /nfs/dbraw/zinc/31/52/43/493315243.db2.gz XPXQHSLYKBTVKJ-HOTGVXAUSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302430 493315246 /nfs/dbraw/zinc/31/52/46/493315246.db2.gz XPXQHSLYKBTVKJ-HOTGVXAUSA-N 2 2 359.474 0.575 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000673303749 493315706 /nfs/dbraw/zinc/31/57/06/493315706.db2.gz OMNWWSUHDQNJLN-IKGGRYGDSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000673303749 493315707 /nfs/dbraw/zinc/31/57/07/493315707.db2.gz OMNWWSUHDQNJLN-IKGGRYGDSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1c[nH+]c2n1CCC2 ZINC000668191017 493324401 /nfs/dbraw/zinc/32/44/01/493324401.db2.gz UWGCJWORLFBSSU-UHFFFAOYSA-N 2 2 350.444 0.988 20 0 FCADLP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1c[nH+]c2n1CCC2 ZINC000668191017 493324405 /nfs/dbraw/zinc/32/44/05/493324405.db2.gz UWGCJWORLFBSSU-UHFFFAOYSA-N 2 2 350.444 0.988 20 0 FCADLP Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000683021988 493330336 /nfs/dbraw/zinc/33/03/36/493330336.db2.gz PWJLVMHZEQBOQT-UHFFFAOYSA-N 2 2 360.462 0.762 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660655958 493370332 /nfs/dbraw/zinc/37/03/32/493370332.db2.gz FXDYDSZQZUDKFF-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000660694655 493373215 /nfs/dbraw/zinc/37/32/15/493373215.db2.gz FBTDIPMKBOZAEO-INIZCTEOSA-N 2 2 361.552 0.731 20 0 FCADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660691000 493373353 /nfs/dbraw/zinc/37/33/53/493373353.db2.gz QPMMHQCHEWJLQV-AEFFLSMTSA-N 2 2 366.506 0.603 20 0 FCADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1S(N)(=O)=O ZINC000674000441 493381252 /nfs/dbraw/zinc/38/12/52/493381252.db2.gz LVHRLUVBEPHISB-UHFFFAOYSA-N 2 2 368.503 0.398 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CS(=O)(=O)C[C@@H]3OC)CC2)CC1 ZINC000660835572 493383049 /nfs/dbraw/zinc/38/30/49/493383049.db2.gz VRWKENMYQXAPJE-SJORKVTESA-N 2 2 359.536 0.290 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CS(=O)(=O)C[C@@H]3OC)CC2)CC1 ZINC000660835572 493383050 /nfs/dbraw/zinc/38/30/50/493383050.db2.gz VRWKENMYQXAPJE-SJORKVTESA-N 2 2 359.536 0.290 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610771 493383895 /nfs/dbraw/zinc/38/38/95/493383895.db2.gz GVZSWMOPHFJWBC-SZMVWBNQSA-N 2 2 362.474 0.645 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610771 493383897 /nfs/dbraw/zinc/38/38/97/493383897.db2.gz GVZSWMOPHFJWBC-SZMVWBNQSA-N 2 2 362.474 0.645 20 0 FCADLP CCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617260 493384933 /nfs/dbraw/zinc/38/49/33/493384933.db2.gz JEXMUCMAUJEQRH-LSDHHAIUSA-N 2 2 360.524 0.071 20 0 FCADLP CCC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617260 493384935 /nfs/dbraw/zinc/38/49/35/493384935.db2.gz JEXMUCMAUJEQRH-LSDHHAIUSA-N 2 2 360.524 0.071 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCC(=O)N1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684000054 493386050 /nfs/dbraw/zinc/38/60/50/493386050.db2.gz LWTKXHUVPZCVHM-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCC(=O)N1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684000054 493386053 /nfs/dbraw/zinc/38/60/53/493386053.db2.gz LWTKXHUVPZCVHM-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000668670656 493394034 /nfs/dbraw/zinc/39/40/34/493394034.db2.gz KBHZRBSZEJPTJY-WMZOPIPTSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000668670656 493394036 /nfs/dbraw/zinc/39/40/36/493394036.db2.gz KBHZRBSZEJPTJY-WMZOPIPTSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668670656 493394037 /nfs/dbraw/zinc/39/40/37/493394037.db2.gz KBHZRBSZEJPTJY-WMZOPIPTSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000668670656 493394039 /nfs/dbraw/zinc/39/40/39/493394039.db2.gz KBHZRBSZEJPTJY-WMZOPIPTSA-N 2 2 356.470 0.730 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCc3ccoc3)CC2)CC1 ZINC000668721142 493401219 /nfs/dbraw/zinc/40/12/19/493401219.db2.gz HJYYVKAHDXJNEU-UHFFFAOYSA-N 2 2 362.474 0.613 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C)[NH+](C)C)c2)CC1 ZINC000674266739 493403860 /nfs/dbraw/zinc/40/38/60/493403860.db2.gz XOMWNDFTBUJJTA-AWEZNQCLSA-N 2 2 368.503 0.901 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000668745340 493404643 /nfs/dbraw/zinc/40/46/43/493404643.db2.gz QPQJPCHABIVLTF-CRAIPNDOSA-N 2 2 362.474 0.776 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843037 493419920 /nfs/dbraw/zinc/41/99/20/493419920.db2.gz MQWHZVCYEPCYRU-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843037 493419921 /nfs/dbraw/zinc/41/99/21/493419921.db2.gz MQWHZVCYEPCYRU-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000668843037 493419924 /nfs/dbraw/zinc/41/99/24/493419924.db2.gz MQWHZVCYEPCYRU-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000668843037 493419927 /nfs/dbraw/zinc/41/99/27/493419927.db2.gz MQWHZVCYEPCYRU-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP CN1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000668849429 493421575 /nfs/dbraw/zinc/42/15/75/493421575.db2.gz AJRSPOXKDFAVMN-ROUUACIJSA-N 2 2 361.490 0.344 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668920530 493437785 /nfs/dbraw/zinc/43/77/85/493437785.db2.gz NJMAMZDZIWQPGC-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668920530 493437787 /nfs/dbraw/zinc/43/77/87/493437787.db2.gz NJMAMZDZIWQPGC-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000661605227 493451370 /nfs/dbraw/zinc/45/13/70/493451370.db2.gz IQUWPLNHFWOVLX-IBGZPJMESA-N 2 2 361.486 0.986 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000661605227 493451374 /nfs/dbraw/zinc/45/13/74/493451374.db2.gz IQUWPLNHFWOVLX-IBGZPJMESA-N 2 2 361.486 0.986 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H]1COCCO1 ZINC000661608618 493452068 /nfs/dbraw/zinc/45/20/68/493452068.db2.gz WUGAPZRUQHUEOO-HNNXBMFYSA-N 2 2 353.488 0.740 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H]1COCCO1 ZINC000661608618 493452070 /nfs/dbraw/zinc/45/20/70/493452070.db2.gz WUGAPZRUQHUEOO-HNNXBMFYSA-N 2 2 353.488 0.740 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCCS1 ZINC000685192616 493465058 /nfs/dbraw/zinc/46/50/58/493465058.db2.gz HHVFBDDBXOYGJD-MRXNPFEDSA-N 2 2 370.563 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCCS1 ZINC000685192616 493465060 /nfs/dbraw/zinc/46/50/60/493465060.db2.gz HHVFBDDBXOYGJD-MRXNPFEDSA-N 2 2 370.563 0.873 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1cnc(N(C)CC[NH+]2CCOCC2)cn1 ZINC000685270253 493470911 /nfs/dbraw/zinc/47/09/11/493470911.db2.gz JABMPWWBTGXRIF-UHFFFAOYSA-N 2 2 364.494 0.013 20 0 FCADLP Cc1[nH+]c(NC[C@](C)(O)C[NH+](C)C)nc(NC[C@@](C)(O)C[NH+](C)C)c1F ZINC000685273087 493471050 /nfs/dbraw/zinc/47/10/50/493471050.db2.gz PPGSDGCEVRODFX-SJORKVTESA-N 3 2 372.489 0.373 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1C1CC1 ZINC000685276965 493472068 /nfs/dbraw/zinc/47/20/68/493472068.db2.gz KEUIIKBARBDOMZ-CKEIUWERSA-N 2 2 358.442 0.803 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1C1CC1 ZINC000685276965 493472071 /nfs/dbraw/zinc/47/20/71/493472071.db2.gz KEUIIKBARBDOMZ-CKEIUWERSA-N 2 2 358.442 0.803 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954779 493479629 /nfs/dbraw/zinc/47/96/29/493479629.db2.gz ZJWANIVPJCAHSX-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954779 493479631 /nfs/dbraw/zinc/47/96/31/493479631.db2.gz ZJWANIVPJCAHSX-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000669232185 493480784 /nfs/dbraw/zinc/48/07/84/493480784.db2.gz BWIGWKREKPUGAX-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000685358802 493485651 /nfs/dbraw/zinc/48/56/51/493485651.db2.gz NVVQCDDFEZXYMW-HNNXBMFYSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000685358802 493485653 /nfs/dbraw/zinc/48/56/53/493485653.db2.gz NVVQCDDFEZXYMW-HNNXBMFYSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000685358303 493485668 /nfs/dbraw/zinc/48/56/68/493485668.db2.gz ILAIJWFRLTVISH-HNNXBMFYSA-N 2 2 359.474 0.791 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCN1CCc1c[nH+]cn1C ZINC000685418046 493489922 /nfs/dbraw/zinc/48/99/22/493489922.db2.gz BQMGNGNVLWGGIZ-SFHVURJKSA-N 3 2 373.505 0.013 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCN1CCc1c[nH+]cn1C ZINC000685418046 493489924 /nfs/dbraw/zinc/48/99/24/493489924.db2.gz BQMGNGNVLWGGIZ-SFHVURJKSA-N 3 2 373.505 0.013 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@H+](CCc2cncn2C)CCN1CCc1c[nH+]cn1C ZINC000685418046 493489926 /nfs/dbraw/zinc/48/99/26/493489926.db2.gz BQMGNGNVLWGGIZ-SFHVURJKSA-N 2 2 373.505 0.013 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@@H+](CCc2cncn2C)CCN1CCc1c[nH+]cn1C ZINC000685418046 493489928 /nfs/dbraw/zinc/48/99/28/493489928.db2.gz BQMGNGNVLWGGIZ-SFHVURJKSA-N 2 2 373.505 0.013 20 0 FCADLP CN(C(=O)CNC(=O)c1ccncc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605561 493494744 /nfs/dbraw/zinc/49/47/44/493494744.db2.gz QFDLQSNHGHKOLI-QGZVFWFLSA-N 2 2 359.474 0.438 20 0 FCADLP CN(C(=O)CNC(=O)c1ccncc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605561 493494746 /nfs/dbraw/zinc/49/47/46/493494746.db2.gz QFDLQSNHGHKOLI-QGZVFWFLSA-N 2 2 359.474 0.438 20 0 FCADLP COc1cc2c(cc1OC)CN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)CC2 ZINC000662285314 493502264 /nfs/dbraw/zinc/50/22/64/493502264.db2.gz ABGQCKSDPBBFKV-UHFFFAOYSA-N 2 2 363.458 0.293 20 0 FCADLP COc1cc(CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc(OC)c1OC ZINC000662286257 493502593 /nfs/dbraw/zinc/50/25/93/493502593.db2.gz WWBQJEJHISXDPU-UHFFFAOYSA-N 2 2 367.446 0.033 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000662287060 493503263 /nfs/dbraw/zinc/50/32/63/493503263.db2.gz RHKJVQWRTSBZQU-MRXNPFEDSA-N 2 2 351.422 0.430 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685564053 493503427 /nfs/dbraw/zinc/50/34/27/493503427.db2.gz MQLPNTVMYUKPRI-QAPCUYQASA-N 2 2 357.458 0.571 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685564053 493503429 /nfs/dbraw/zinc/50/34/29/493503429.db2.gz MQLPNTVMYUKPRI-QAPCUYQASA-N 2 2 357.458 0.571 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)CO ZINC000662289105 493503835 /nfs/dbraw/zinc/50/38/35/493503835.db2.gz ODEQXEUEIYEVAY-JTQLQIEISA-N 2 2 350.246 0.936 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)CO ZINC000662289105 493503837 /nfs/dbraw/zinc/50/38/37/493503837.db2.gz ODEQXEUEIYEVAY-JTQLQIEISA-N 2 2 350.246 0.936 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000669479598 493506197 /nfs/dbraw/zinc/50/61/97/493506197.db2.gz ZYVAMUQQJKYFSW-MRXNPFEDSA-N 2 2 365.522 0.701 20 0 FCADLP FCCn1ncnc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338488 493507464 /nfs/dbraw/zinc/50/74/64/493507464.db2.gz SBMZFBSMZMQDTE-CQSZACIVSA-N 2 2 362.457 0.760 20 0 FCADLP FCCn1ncnc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338488 493507467 /nfs/dbraw/zinc/50/74/67/493507467.db2.gz SBMZFBSMZMQDTE-CQSZACIVSA-N 2 2 362.457 0.760 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](Cc3cccnc3)CC2)cnn1C ZINC000662363966 493509645 /nfs/dbraw/zinc/50/96/45/493509645.db2.gz OXPTWVZVVPSADI-RBUKOAKNSA-N 2 2 368.485 0.771 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000662439083 493515137 /nfs/dbraw/zinc/51/51/37/493515137.db2.gz HOUACTASDRFCGT-MRXNPFEDSA-N 2 2 371.441 0.986 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000662439083 493515141 /nfs/dbraw/zinc/51/51/41/493515141.db2.gz HOUACTASDRFCGT-MRXNPFEDSA-N 2 2 371.441 0.986 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000662457759 493517863 /nfs/dbraw/zinc/51/78/63/493517863.db2.gz MUROSBFFFITUTQ-ZYSHUDEJSA-N 3 2 374.533 0.316 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000662457759 493517865 /nfs/dbraw/zinc/51/78/65/493517865.db2.gz MUROSBFFFITUTQ-ZYSHUDEJSA-N 3 2 374.533 0.316 20 0 FCADLP [NH3+]CCn1cc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)nn1 ZINC000662493632 493521191 /nfs/dbraw/zinc/52/11/91/493521191.db2.gz GOQOZLBFNZGDGA-UHFFFAOYSA-N 2 2 353.430 0.996 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662505547 493521663 /nfs/dbraw/zinc/52/16/63/493521663.db2.gz VSGARINREDIQBR-UHFFFAOYSA-N 2 2 371.445 0.995 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662699837 493533256 /nfs/dbraw/zinc/53/32/56/493533256.db2.gz DIYMEPHRVHUPTJ-AWEZNQCLSA-N 2 2 350.467 0.433 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662699837 493533257 /nfs/dbraw/zinc/53/32/57/493533257.db2.gz DIYMEPHRVHUPTJ-AWEZNQCLSA-N 2 2 350.467 0.433 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000662703420 493533379 /nfs/dbraw/zinc/53/33/79/493533379.db2.gz RDEUKLHAPFLOAZ-JOCQHMNTSA-N 2 2 352.460 0.299 20 0 FCADLP C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676241103 493533737 /nfs/dbraw/zinc/53/37/37/493533737.db2.gz JJSMZKLJUQANBZ-GOEBONIOSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241103 493533739 /nfs/dbraw/zinc/53/37/39/493533739.db2.gz JJSMZKLJUQANBZ-GOEBONIOSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676263827 493538016 /nfs/dbraw/zinc/53/80/16/493538016.db2.gz MPEYGDKORWONRP-MLGOLLRUSA-N 2 2 363.462 0.688 20 0 FCADLP C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676263827 493538019 /nfs/dbraw/zinc/53/80/19/493538019.db2.gz MPEYGDKORWONRP-MLGOLLRUSA-N 2 2 363.462 0.688 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676278610 493539549 /nfs/dbraw/zinc/53/95/49/493539549.db2.gz IYLRFQJTPYTETJ-TZMCWYRMSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278610 493539551 /nfs/dbraw/zinc/53/95/51/493539551.db2.gz IYLRFQJTPYTETJ-TZMCWYRMSA-N 2 2 358.402 0.041 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1F ZINC000662765594 493540600 /nfs/dbraw/zinc/54/06/00/493540600.db2.gz BAIVNILBLFXHNA-MLGOLLRUSA-N 2 2 352.385 0.387 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662794701 493542656 /nfs/dbraw/zinc/54/26/56/493542656.db2.gz HQWAISZUEKJMJI-LSDHHAIUSA-N 2 2 355.446 0.996 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662797354 493542930 /nfs/dbraw/zinc/54/29/30/493542930.db2.gz YILQWOVXXRQOPK-MSOLQXFVSA-N 2 2 363.458 0.582 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676304230 493543965 /nfs/dbraw/zinc/54/39/65/493543965.db2.gz CPAJUPYACPPXQD-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676304230 493543967 /nfs/dbraw/zinc/54/39/67/493543967.db2.gz CPAJUPYACPPXQD-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901110 493549977 /nfs/dbraw/zinc/54/99/77/493549977.db2.gz SPYADMCEWNCIRB-ZBFHGGJFSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901110 493549979 /nfs/dbraw/zinc/54/99/79/493549979.db2.gz SPYADMCEWNCIRB-ZBFHGGJFSA-N 3 2 360.506 0.727 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)c1 ZINC000662930198 493555251 /nfs/dbraw/zinc/55/52/51/493555251.db2.gz NHVFOQHBAHYJFC-HNNXBMFYSA-N 2 2 362.474 0.708 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662932584 493556330 /nfs/dbraw/zinc/55/63/30/493556330.db2.gz LNMHZWSWLVAGLS-FVWXCPNNSA-N 2 2 356.470 0.669 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662932584 493556331 /nfs/dbraw/zinc/55/63/31/493556331.db2.gz LNMHZWSWLVAGLS-FVWXCPNNSA-N 2 2 356.470 0.669 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)CCC(=O)N1C ZINC000662972418 493562553 /nfs/dbraw/zinc/56/25/53/493562553.db2.gz PFQOOPRXYZLTGV-MDZLAQPJSA-N 2 2 355.389 0.443 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813787 493572413 /nfs/dbraw/zinc/57/24/13/493572413.db2.gz HUDYONDCZSHSFO-RDJZCZTQSA-N 2 2 360.506 0.776 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813787 493572414 /nfs/dbraw/zinc/57/24/14/493572414.db2.gz HUDYONDCZSHSFO-RDJZCZTQSA-N 2 2 360.506 0.776 20 0 FCADLP CCOCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670497206 493574743 /nfs/dbraw/zinc/57/47/43/493574743.db2.gz NQNABERMOARPQL-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CCOCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670497206 493574745 /nfs/dbraw/zinc/57/47/45/493574745.db2.gz NQNABERMOARPQL-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670500348 493574890 /nfs/dbraw/zinc/57/48/90/493574890.db2.gz OFLUVNDKBPWQNG-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670500348 493574891 /nfs/dbraw/zinc/57/48/91/493574891.db2.gz OFLUVNDKBPWQNG-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000670537336 493578377 /nfs/dbraw/zinc/57/83/77/493578377.db2.gz JNPDNWAWIPRKJI-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000670537336 493578378 /nfs/dbraw/zinc/57/83/78/493578378.db2.gz JNPDNWAWIPRKJI-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670546695 493579286 /nfs/dbraw/zinc/57/92/86/493579286.db2.gz BFNZTEGVQLBJEW-LSDHHAIUSA-N 2 2 359.474 0.544 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000670629973 493581851 /nfs/dbraw/zinc/58/18/51/493581851.db2.gz BFNXULGQVQCYIP-DLBZAZTESA-N 2 2 366.506 0.347 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccco1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670640920 493584482 /nfs/dbraw/zinc/58/44/82/493584482.db2.gz PYBCDGZMTNSIRX-INIZCTEOSA-N 2 2 362.474 0.565 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccco1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670640920 493584484 /nfs/dbraw/zinc/58/44/84/493584484.db2.gz PYBCDGZMTNSIRX-INIZCTEOSA-N 2 2 362.474 0.565 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670708678 493589536 /nfs/dbraw/zinc/58/95/36/493589536.db2.gz ZXEMMOUFJHCKRW-KRWDZBQOSA-N 2 2 366.506 0.302 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000663543808 493595479 /nfs/dbraw/zinc/59/54/79/493595479.db2.gz RQLAFTBOMZRZHY-ZACQAIPSSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000670813415 493599420 /nfs/dbraw/zinc/59/94/20/493599420.db2.gz DJYOBGXSANCDIV-JYJNAYRXSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000670813415 493599422 /nfs/dbraw/zinc/59/94/22/493599422.db2.gz DJYOBGXSANCDIV-JYJNAYRXSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000670813594 493599861 /nfs/dbraw/zinc/59/98/61/493599861.db2.gz NSHQTFRCRDOKOM-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000670813594 493599863 /nfs/dbraw/zinc/59/98/63/493599863.db2.gz NSHQTFRCRDOKOM-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP CN(C(=O)C(=O)NCc1ccc(O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670831098 493602700 /nfs/dbraw/zinc/60/27/00/493602700.db2.gz CTVKVEBWYZZXIV-QGZVFWFLSA-N 2 2 374.485 0.635 20 0 FCADLP CN(C(=O)C(=O)NCc1ccc(O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670831098 493602703 /nfs/dbraw/zinc/60/27/03/493602703.db2.gz CTVKVEBWYZZXIV-QGZVFWFLSA-N 2 2 374.485 0.635 20 0 FCADLP C[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1[NH+]1CCOCC1 ZINC000663701383 493613605 /nfs/dbraw/zinc/61/36/05/493613605.db2.gz NAOYTDKNHAOUGK-JKSUJKDBSA-N 2 2 361.490 0.985 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000670983531 493619216 /nfs/dbraw/zinc/61/92/16/493619216.db2.gz TYKKPQRDBDLPEE-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCSC1 ZINC000671071736 493629431 /nfs/dbraw/zinc/62/94/31/493629431.db2.gz NPGABVBKLODXFO-WMLDXEAASA-N 2 2 365.503 0.600 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000664008526 493630184 /nfs/dbraw/zinc/63/01/84/493630184.db2.gz HUBDLBLHKFFDKR-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000678064100 493632208 /nfs/dbraw/zinc/63/22/08/493632208.db2.gz IIMPXYWUTXQCPF-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671104184 493634147 /nfs/dbraw/zinc/63/41/47/493634147.db2.gz HPMMFJZWJUSGBK-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671104184 493634149 /nfs/dbraw/zinc/63/41/49/493634149.db2.gz HPMMFJZWJUSGBK-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104184 493634151 /nfs/dbraw/zinc/63/41/51/493634151.db2.gz HPMMFJZWJUSGBK-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104184 493634153 /nfs/dbraw/zinc/63/41/53/493634153.db2.gz HPMMFJZWJUSGBK-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671105672 493635221 /nfs/dbraw/zinc/63/52/21/493635221.db2.gz NSPBQDLABYNVKW-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671105672 493635223 /nfs/dbraw/zinc/63/52/23/493635223.db2.gz NSPBQDLABYNVKW-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664094997 493636190 /nfs/dbraw/zinc/63/61/90/493636190.db2.gz HIFFFGHCOJUYCR-MRXNPFEDSA-N 2 2 356.536 0.932 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671117385 493637850 /nfs/dbraw/zinc/63/78/50/493637850.db2.gz ASOSDGQSQCTZFH-UHFFFAOYSA-N 2 2 368.441 0.744 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664218822 493645251 /nfs/dbraw/zinc/64/52/51/493645251.db2.gz GBEDSJFKSXUFQT-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664218822 493645255 /nfs/dbraw/zinc/64/52/55/493645255.db2.gz GBEDSJFKSXUFQT-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664218822 493645257 /nfs/dbraw/zinc/64/52/57/493645257.db2.gz GBEDSJFKSXUFQT-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664218822 493645260 /nfs/dbraw/zinc/64/52/60/493645260.db2.gz GBEDSJFKSXUFQT-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671181249 493647840 /nfs/dbraw/zinc/64/78/40/493647840.db2.gz BVOSBLLLGGVABX-QZTJIDSGSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671181249 493647841 /nfs/dbraw/zinc/64/78/41/493647841.db2.gz BVOSBLLLGGVABX-QZTJIDSGSA-N 2 2 356.470 0.861 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOC3CCCC3)C2)CC1 ZINC000671320518 493654636 /nfs/dbraw/zinc/65/46/36/493654636.db2.gz UDKVTYPOWQHCBO-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOC3CCCC3)C2)CC1 ZINC000671320518 493654639 /nfs/dbraw/zinc/65/46/39/493654639.db2.gz UDKVTYPOWQHCBO-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671348941 493658150 /nfs/dbraw/zinc/65/81/50/493658150.db2.gz VNSZTPFXDBPGMM-OAHLLOKOSA-N 2 2 356.430 0.570 20 0 FCADLP CCCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671354016 493659133 /nfs/dbraw/zinc/65/91/33/493659133.db2.gz XNIBXYWKRPJOAQ-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671354016 493659136 /nfs/dbraw/zinc/65/91/36/493659136.db2.gz XNIBXYWKRPJOAQ-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671364934 493660864 /nfs/dbraw/zinc/66/08/64/493660864.db2.gz GAAPFWZBGQCFKG-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671364934 493660865 /nfs/dbraw/zinc/66/08/65/493660865.db2.gz GAAPFWZBGQCFKG-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000671396077 493664617 /nfs/dbraw/zinc/66/46/17/493664617.db2.gz CDPGPHDFCZWFRI-OAHLLOKOSA-N 2 2 358.486 0.965 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NCC[NH+]1CCSCC1 ZINC000671394428 493664632 /nfs/dbraw/zinc/66/46/32/493664632.db2.gz ITMSIQPUDSGXJE-UHFFFAOYSA-N 2 2 362.499 0.283 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000664537179 493666438 /nfs/dbraw/zinc/66/64/38/493666438.db2.gz GGBNVGVIJIEUKA-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000664537179 493666439 /nfs/dbraw/zinc/66/64/39/493666439.db2.gz GGBNVGVIJIEUKA-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000664537179 493666440 /nfs/dbraw/zinc/66/64/40/493666440.db2.gz GGBNVGVIJIEUKA-HZPDHXFCSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000664537179 493666442 /nfs/dbraw/zinc/66/64/42/493666442.db2.gz GGBNVGVIJIEUKA-HZPDHXFCSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H](C)[NH+]1CCOCC1 ZINC000679508096 493684246 /nfs/dbraw/zinc/68/42/46/493684246.db2.gz PDCLMQATJOGJAR-KGLIPLIRSA-N 2 2 372.429 0.431 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000664859211 493687438 /nfs/dbraw/zinc/68/74/38/493687438.db2.gz RTCZOUCFEHHBGD-HRCADAONSA-N 2 2 365.478 0.687 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680011859 493705271 /nfs/dbraw/zinc/70/52/71/493705271.db2.gz GVCLDGHRCZKHFQ-AEFFLSMTSA-N 3 2 352.523 0.582 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680011859 493705272 /nfs/dbraw/zinc/70/52/72/493705272.db2.gz GVCLDGHRCZKHFQ-AEFFLSMTSA-N 3 2 352.523 0.582 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236320 493705631 /nfs/dbraw/zinc/70/56/31/493705631.db2.gz KGVOUJWFZGAWRM-DGCLKSJQSA-N 2 2 371.279 0.931 20 0 FCADLP C[C@H](CCNC(=O)N(CCO)CC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000680312970 493713519 /nfs/dbraw/zinc/71/35/19/493713519.db2.gz JFDFTCGEMMAKKN-QGZVFWFLSA-N 2 2 356.511 0.587 20 0 FCADLP C[C@H]1COCCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671950606 493717596 /nfs/dbraw/zinc/71/75/96/493717596.db2.gz QIJYLYNLJNTIAE-HNNXBMFYSA-N 2 2 366.506 0.299 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680552873 493723564 /nfs/dbraw/zinc/72/35/64/493723564.db2.gz MNQDPXICPSYRSR-DJIMGWMZSA-N 2 2 354.495 0.648 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680552873 493723566 /nfs/dbraw/zinc/72/35/66/493723566.db2.gz MNQDPXICPSYRSR-DJIMGWMZSA-N 2 2 354.495 0.648 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877654 493733775 /nfs/dbraw/zinc/73/37/75/493733775.db2.gz LPJCXOIKFOUSTN-SJLPKXTDSA-N 2 2 368.522 0.632 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877654 493733778 /nfs/dbraw/zinc/73/37/78/493733778.db2.gz LPJCXOIKFOUSTN-SJLPKXTDSA-N 2 2 368.522 0.632 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877652 493733879 /nfs/dbraw/zinc/73/38/79/493733879.db2.gz LPJCXOIKFOUSTN-AEFFLSMTSA-N 2 2 368.522 0.632 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877652 493733881 /nfs/dbraw/zinc/73/38/81/493733881.db2.gz LPJCXOIKFOUSTN-AEFFLSMTSA-N 2 2 368.522 0.632 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672203896 493742484 /nfs/dbraw/zinc/74/24/84/493742484.db2.gz ZQXQKQFXWFTMBG-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672203896 493742486 /nfs/dbraw/zinc/74/24/86/493742486.db2.gz ZQXQKQFXWFTMBG-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000681113286 493745697 /nfs/dbraw/zinc/74/56/97/493745697.db2.gz MPHJGRSLDFNBDW-AWEZNQCLSA-N 2 2 358.442 0.425 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)ccn1 ZINC000666010924 493748935 /nfs/dbraw/zinc/74/89/35/493748935.db2.gz OVYVZSCJSRHNLG-UHFFFAOYSA-N 2 2 350.463 0.863 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672304404 493751715 /nfs/dbraw/zinc/75/17/15/493751715.db2.gz VZUQMUFOKFSNEL-IBGZPJMESA-N 2 2 370.497 0.931 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672304404 493751717 /nfs/dbraw/zinc/75/17/17/493751717.db2.gz VZUQMUFOKFSNEL-IBGZPJMESA-N 2 2 370.497 0.931 20 0 FCADLP CO[C@@]1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218784 493751920 /nfs/dbraw/zinc/75/19/20/493751920.db2.gz MQCDWEZASBQUIT-SJLPKXTDSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@]1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218784 493751921 /nfs/dbraw/zinc/75/19/21/493751921.db2.gz MQCDWEZASBQUIT-SJLPKXTDSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000672320263 493756789 /nfs/dbraw/zinc/75/67/89/493756789.db2.gz BZEXVKQGXBNZRM-ARFHVFGLSA-N 2 2 363.462 0.272 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000672358030 493759374 /nfs/dbraw/zinc/75/93/74/493759374.db2.gz RUYUMYUDAHHBBT-DOTOQJQBSA-N 2 2 360.458 0.126 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000672358030 493759375 /nfs/dbraw/zinc/75/93/75/493759375.db2.gz RUYUMYUDAHHBBT-DOTOQJQBSA-N 2 2 360.458 0.126 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000672358030 493759376 /nfs/dbraw/zinc/75/93/76/493759376.db2.gz RUYUMYUDAHHBBT-DOTOQJQBSA-N 2 2 360.458 0.126 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000672358030 493759377 /nfs/dbraw/zinc/75/93/77/493759377.db2.gz RUYUMYUDAHHBBT-DOTOQJQBSA-N 2 2 360.458 0.126 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000666239452 493764190 /nfs/dbraw/zinc/76/41/90/493764190.db2.gz AADCDLCWFKZHNW-OAHLLOKOSA-N 2 2 350.467 0.821 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000666239452 493764191 /nfs/dbraw/zinc/76/41/91/493764191.db2.gz AADCDLCWFKZHNW-OAHLLOKOSA-N 2 2 350.467 0.821 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3[C@@H]3CCCO3)C2)CC1 ZINC000672427644 493767774 /nfs/dbraw/zinc/76/77/74/493767774.db2.gz WIXGCNRSBKYTQG-SZMVWBNQSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3[C@@H]3CCCO3)C2)CC1 ZINC000672427644 493767777 /nfs/dbraw/zinc/76/77/77/493767777.db2.gz WIXGCNRSBKYTQG-SZMVWBNQSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@H](C)[N@H+]1C ZINC000410734687 534285206 /nfs/dbraw/zinc/28/52/06/534285206.db2.gz VGQZERJVAGHCNC-OWCLPIDISA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@H](C)[N@@H+]1C ZINC000410734687 534285210 /nfs/dbraw/zinc/28/52/10/534285210.db2.gz VGQZERJVAGHCNC-OWCLPIDISA-N 2 2 361.490 0.752 20 0 FCADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178786671 534343632 /nfs/dbraw/zinc/34/36/32/534343632.db2.gz TTZZVWMHAVBRNJ-HXUWFJFHSA-N 2 2 371.529 0.705 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000419932547 536449309 /nfs/dbraw/zinc/44/93/09/536449309.db2.gz DVEFERKENHNTDH-OAHLLOKOSA-N 2 2 362.474 0.311 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC[N@@H+]1C ZINC000410730493 527818702 /nfs/dbraw/zinc/81/87/02/527818702.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC[N@H+]1C ZINC000410730493 527818706 /nfs/dbraw/zinc/81/87/06/527818706.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH+]1C ZINC000410730493 527818710 /nfs/dbraw/zinc/81/87/10/527818710.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[NH+]1C ZINC000410730493 527818714 /nfs/dbraw/zinc/81/87/14/527818714.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000410730493 527818720 /nfs/dbraw/zinc/81/87/20/527818720.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[N@H+]1C ZINC000410730493 527818726 /nfs/dbraw/zinc/81/87/26/527818726.db2.gz MPKNIHJXUDZYED-QGZVFWFLSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000410719636 527954741 /nfs/dbraw/zinc/95/47/41/527954741.db2.gz ZGEPZMYRGLQSOZ-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@@H+]1C ZINC000410939228 528714080 /nfs/dbraw/zinc/71/40/80/528714080.db2.gz RUZSBAIJOZMYLB-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@H+]1C ZINC000410939228 528714082 /nfs/dbraw/zinc/71/40/82/528714082.db2.gz RUZSBAIJOZMYLB-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000410939228 528714085 /nfs/dbraw/zinc/71/40/85/528714085.db2.gz RUZSBAIJOZMYLB-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000410939228 528714086 /nfs/dbraw/zinc/71/40/86/528714086.db2.gz RUZSBAIJOZMYLB-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410889116 528891271 /nfs/dbraw/zinc/89/12/71/528891271.db2.gz XSEADLNXZQMSBC-UHFFFAOYSA-N 2 2 356.511 0.354 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410889116 528891272 /nfs/dbraw/zinc/89/12/72/528891272.db2.gz XSEADLNXZQMSBC-UHFFFAOYSA-N 2 2 356.511 0.354 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)CN2CCOCC2)CC1 ZINC000178933877 529131910 /nfs/dbraw/zinc/13/19/10/529131910.db2.gz XMISKGYJVFSIEM-KRWDZBQOSA-N 2 2 354.539 0.829 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)CN2CCOCC2)CC1 ZINC000178933877 529131911 /nfs/dbraw/zinc/13/19/11/529131911.db2.gz XMISKGYJVFSIEM-KRWDZBQOSA-N 2 2 354.539 0.829 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000186920443 529142765 /nfs/dbraw/zinc/14/27/65/529142765.db2.gz OOVFLLHOUAFANZ-UHFFFAOYSA-N 2 2 355.527 0.426 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000186920443 529142766 /nfs/dbraw/zinc/14/27/66/529142766.db2.gz OOVFLLHOUAFANZ-UHFFFAOYSA-N 2 2 355.527 0.426 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000186920443 529142768 /nfs/dbraw/zinc/14/27/68/529142768.db2.gz OOVFLLHOUAFANZ-UHFFFAOYSA-N 2 2 355.527 0.426 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000186920443 529142770 /nfs/dbraw/zinc/14/27/70/529142770.db2.gz OOVFLLHOUAFANZ-UHFFFAOYSA-N 2 2 355.527 0.426 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C(C)(C)C[NH3+])c2)CC1 ZINC000163582640 529150416 /nfs/dbraw/zinc/15/04/16/529150416.db2.gz IOMDDAVBCMJBRA-UHFFFAOYSA-N 2 2 368.503 0.936 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000173709404 529152341 /nfs/dbraw/zinc/15/23/41/529152341.db2.gz BDOZGMXNIRVJEY-DLBZAZTESA-N 2 2 360.506 0.546 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000173709404 529152342 /nfs/dbraw/zinc/15/23/42/529152342.db2.gz BDOZGMXNIRVJEY-DLBZAZTESA-N 2 2 360.506 0.546 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000423665342 535186438 /nfs/dbraw/zinc/18/64/38/535186438.db2.gz QOPCMCIKAUZGAD-KRWDZBQOSA-N 3 2 367.538 0.071 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000423665342 535186442 /nfs/dbraw/zinc/18/64/42/535186442.db2.gz QOPCMCIKAUZGAD-KRWDZBQOSA-N 3 2 367.538 0.071 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CC[NH2+]C1 ZINC000423658306 535187235 /nfs/dbraw/zinc/18/72/35/535187235.db2.gz FPNWHWAHHUWIED-WMZOPIPTSA-N 2 2 373.501 0.887 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419124569 535191491 /nfs/dbraw/zinc/19/14/91/535191491.db2.gz XTZRZLGDTHTCHA-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424147792 535331809 /nfs/dbraw/zinc/33/18/09/535331809.db2.gz SGIUBRYISLNAHD-HNNXBMFYSA-N 2 2 350.467 0.385 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000419212168 535439439 /nfs/dbraw/zinc/43/94/39/535439439.db2.gz UIALEHHQZYPOMZ-CYBMUJFWSA-N 2 2 366.428 0.977 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000419212168 535439443 /nfs/dbraw/zinc/43/94/43/535439443.db2.gz UIALEHHQZYPOMZ-CYBMUJFWSA-N 2 2 366.428 0.977 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000423701491 535603286 /nfs/dbraw/zinc/60/32/86/535603286.db2.gz WQWVQOKYTBSIJN-RBSFLKMASA-N 2 2 362.478 0.343 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425395753 535774600 /nfs/dbraw/zinc/77/46/00/535774600.db2.gz XYUPADBMRHBPNG-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425395753 535774606 /nfs/dbraw/zinc/77/46/06/535774606.db2.gz XYUPADBMRHBPNG-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3C[NH2+]CCO3)CCCCCC2)no1 ZINC000444174070 536062518 /nfs/dbraw/zinc/06/25/18/536062518.db2.gz FFLMZEJAONGDKA-CYBMUJFWSA-N 2 2 351.451 0.785 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415318742 536416946 /nfs/dbraw/zinc/41/69/46/536416946.db2.gz RJLLMESQUHVAGN-KRWDZBQOSA-N 2 2 359.474 0.241 20 0 FCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000423863398 536443796 /nfs/dbraw/zinc/44/37/96/536443796.db2.gz HZAOJEVVGUXAQA-IRXDYDNUSA-N 2 2 361.490 0.990 20 0 FCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000423863398 536443797 /nfs/dbraw/zinc/44/37/97/536443797.db2.gz HZAOJEVVGUXAQA-IRXDYDNUSA-N 2 2 361.490 0.990 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000121758162 546517094 /nfs/dbraw/zinc/51/70/94/546517094.db2.gz CXEFCSKVJBKMPL-QGZVFWFLSA-N 2 2 356.511 0.587 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000121758162 546517099 /nfs/dbraw/zinc/51/70/99/546517099.db2.gz CXEFCSKVJBKMPL-QGZVFWFLSA-N 2 2 356.511 0.587 20 0 FCADLP COC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370830547 546534978 /nfs/dbraw/zinc/53/49/78/546534978.db2.gz NVVRLIKKFQNEAR-HOTGVXAUSA-N 2 2 354.495 0.994 20 0 FCADLP COC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370830547 546534986 /nfs/dbraw/zinc/53/49/86/546534986.db2.gz NVVRLIKKFQNEAR-HOTGVXAUSA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000131659289 546570874 /nfs/dbraw/zinc/57/08/74/546570874.db2.gz OWOAWDFHKNSIRK-HZPDHXFCSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000131659289 546570877 /nfs/dbraw/zinc/57/08/77/546570877.db2.gz OWOAWDFHKNSIRK-HZPDHXFCSA-N 2 2 356.511 0.705 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000133737708 546574906 /nfs/dbraw/zinc/57/49/06/546574906.db2.gz PFOBCGYIDHZTSY-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737708 546574910 /nfs/dbraw/zinc/57/49/10/546574910.db2.gz PFOBCGYIDHZTSY-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000133737708 546574914 /nfs/dbraw/zinc/57/49/14/546574914.db2.gz PFOBCGYIDHZTSY-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737708 546574917 /nfs/dbraw/zinc/57/49/17/546574917.db2.gz PFOBCGYIDHZTSY-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472000 546650886 /nfs/dbraw/zinc/65/08/86/546650886.db2.gz CHTCNNSXNQAZPG-UHFFFAOYSA-N 2 2 354.476 0.700 20 0 FCADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472000 546650893 /nfs/dbraw/zinc/65/08/93/546650893.db2.gz CHTCNNSXNQAZPG-UHFFFAOYSA-N 2 2 354.476 0.700 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000592789821 546665822 /nfs/dbraw/zinc/66/58/22/546665822.db2.gz BDFAQGCKCIWXDL-TVFCKZIOSA-N 2 2 354.539 0.872 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733986 546747417 /nfs/dbraw/zinc/74/74/17/546747417.db2.gz QJCGIEPAOJBUEA-OCCSQVGLSA-N 2 2 351.451 0.985 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733986 546747419 /nfs/dbraw/zinc/74/74/19/546747419.db2.gz QJCGIEPAOJBUEA-OCCSQVGLSA-N 2 2 351.451 0.985 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940188 546872236 /nfs/dbraw/zinc/87/22/36/546872236.db2.gz PCMFIQKZAVWGQG-LALPHHSUSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940188 546872239 /nfs/dbraw/zinc/87/22/39/546872239.db2.gz PCMFIQKZAVWGQG-LALPHHSUSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940187 546872522 /nfs/dbraw/zinc/87/25/22/546872522.db2.gz PCMFIQKZAVWGQG-JMSVASOKSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940187 546872526 /nfs/dbraw/zinc/87/25/26/546872526.db2.gz PCMFIQKZAVWGQG-JMSVASOKSA-N 2 2 354.476 0.720 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433401116 546922297 /nfs/dbraw/zinc/92/22/97/546922297.db2.gz WJYHPXNQMMNXNY-OAHLLOKOSA-N 2 2 350.467 0.385 20 0 FCADLP COCCn1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641788988 546957381 /nfs/dbraw/zinc/95/73/81/546957381.db2.gz ZUJAKGAAXNFNTR-SFHVURJKSA-N 2 2 351.495 0.416 20 0 FCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000641803580 546959737 /nfs/dbraw/zinc/95/97/37/546959737.db2.gz TXYALXZDFJKESZ-CVEARBPZSA-N 3 2 352.523 0.853 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000550134895 547079064 /nfs/dbraw/zinc/07/90/64/547079064.db2.gz HXKWNYILPVGMMR-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000550688581 547097498 /nfs/dbraw/zinc/09/74/98/547097498.db2.gz FFYXCICGWGXJLQ-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553279140 547266558 /nfs/dbraw/zinc/26/65/58/547266558.db2.gz NRPUBGPPQGKCIE-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553279140 547266562 /nfs/dbraw/zinc/26/65/62/547266562.db2.gz NRPUBGPPQGKCIE-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)Nc1nc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(NCCO)[nH+]1 ZINC000553406775 547276731 /nfs/dbraw/zinc/27/67/31/547276731.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(NCCO)[nH+]1 ZINC000553406775 547276736 /nfs/dbraw/zinc/27/67/36/547276736.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000553406775 547276741 /nfs/dbraw/zinc/27/67/41/547276741.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000553406775 547276744 /nfs/dbraw/zinc/27/67/44/547276744.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N(C)CC[C@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000553406775 547276748 /nfs/dbraw/zinc/27/67/48/547276748.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N(C)CC[C@H]2CCCC[N@H+]2C)[nH+]1 ZINC000553406775 547276753 /nfs/dbraw/zinc/27/67/53/547276753.db2.gz MHJAWBSCOFTGPN-CQSZACIVSA-N 2 2 351.499 0.251 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553615227 547293951 /nfs/dbraw/zinc/29/39/51/547293951.db2.gz GBTWPKXZIGCIOW-HOTGVXAUSA-N 2 2 356.511 0.402 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000491388578 547389469 /nfs/dbraw/zinc/38/94/69/547389469.db2.gz VTDMTADJXJHPHP-QGZVFWFLSA-N 2 2 356.511 0.300 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000491388578 547389472 /nfs/dbraw/zinc/38/94/72/547389472.db2.gz VTDMTADJXJHPHP-QGZVFWFLSA-N 2 2 356.511 0.300 20 0 FCADLP NC(=O)[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729878 599289493 /nfs/dbraw/zinc/28/94/93/599289493.db2.gz FAHOIGNNZAJYBN-UONOGXRCSA-N 2 2 352.402 0.757 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736535548 598766312 /nfs/dbraw/zinc/76/63/12/598766312.db2.gz YOZPISQBOFCYNJ-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000822858292 607479448 /nfs/dbraw/zinc/47/94/48/607479448.db2.gz AGPDRKDDXLSFKW-CQSZACIVSA-N 2 2 361.425 0.683 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000822858292 607479451 /nfs/dbraw/zinc/47/94/51/607479451.db2.gz AGPDRKDDXLSFKW-CQSZACIVSA-N 2 2 361.425 0.683 20 0 FCADLP C[C@@H](C(=O)NCC(=O)[O-])[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000826000046 601155997 /nfs/dbraw/zinc/15/59/97/601155997.db2.gz LUFBXKYYAXLPTB-HNNXBMFYSA-N 2 2 368.522 0.704 20 0 FCADLP C[C@@H](C(=O)NCC(=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000826000046 601155999 /nfs/dbraw/zinc/15/59/99/601155999.db2.gz LUFBXKYYAXLPTB-HNNXBMFYSA-N 2 2 368.522 0.704 20 0 FCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479738 606860663 /nfs/dbraw/zinc/86/06/63/606860663.db2.gz BOECIIBHTUUNCX-SUMWQHHRSA-N 2 2 360.462 0.677 20 0 FCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479738 606860665 /nfs/dbraw/zinc/86/06/65/606860665.db2.gz BOECIIBHTUUNCX-SUMWQHHRSA-N 2 2 360.462 0.677 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000820843147 606982239 /nfs/dbraw/zinc/98/22/39/606982239.db2.gz UMWLHXBZHVWHDI-INIZCTEOSA-N 2 2 357.462 0.851 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826330665 608104874 /nfs/dbraw/zinc/10/48/74/608104874.db2.gz COQCHUJDVHMYHZ-ZDUSSCGKSA-N 2 2 368.449 0.762 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826330665 608104875 /nfs/dbraw/zinc/10/48/75/608104875.db2.gz COQCHUJDVHMYHZ-ZDUSSCGKSA-N 2 2 368.449 0.762 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]1 ZINC000826262491 608435644 /nfs/dbraw/zinc/43/56/44/608435644.db2.gz QPHKEMRREJWBQO-AWEZNQCLSA-N 2 2 370.461 0.797 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]1 ZINC000826262491 608435646 /nfs/dbraw/zinc/43/56/46/608435646.db2.gz QPHKEMRREJWBQO-AWEZNQCLSA-N 2 2 370.461 0.797 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000325797099 663333600 /nfs/dbraw/zinc/33/36/00/663333600.db2.gz HOXRLQLWDWLJEO-ZMSDIMECSA-N 2 2 354.472 0.576 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000325797099 663333602 /nfs/dbraw/zinc/33/36/02/663333602.db2.gz HOXRLQLWDWLJEO-ZMSDIMECSA-N 2 2 354.472 0.576 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891505976 663410293 /nfs/dbraw/zinc/41/02/93/663410293.db2.gz CPLYXKPVKWXKKB-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891505976 663410295 /nfs/dbraw/zinc/41/02/95/663410295.db2.gz CPLYXKPVKWXKKB-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891528257 663412260 /nfs/dbraw/zinc/41/22/60/663412260.db2.gz NYQZJLBBBDWTBC-AGIUHOORSA-N 2 2 351.417 0.401 20 0 FCADLP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1(C[NH3+])CCCCC1 ZINC000891538392 663412983 /nfs/dbraw/zinc/41/29/83/663412983.db2.gz XHNJBKGQYMPKNI-UHFFFAOYSA-N 2 2 374.551 0.798 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000891536680 663413080 /nfs/dbraw/zinc/41/30/80/663413080.db2.gz FXHFWHXPVIBTKF-UHFFFAOYSA-N 2 2 372.535 0.423 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782350 663428496 /nfs/dbraw/zinc/42/84/96/663428496.db2.gz UHWGWQCFFMZQOY-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782350 663428497 /nfs/dbraw/zinc/42/84/97/663428497.db2.gz UHWGWQCFFMZQOY-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782350 663428499 /nfs/dbraw/zinc/42/84/99/663428499.db2.gz UHWGWQCFFMZQOY-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782350 663428500 /nfs/dbraw/zinc/42/85/00/663428500.db2.gz UHWGWQCFFMZQOY-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782366 663428587 /nfs/dbraw/zinc/42/85/87/663428587.db2.gz UTPAZBFUFYXHTB-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782366 663428588 /nfs/dbraw/zinc/42/85/88/663428588.db2.gz UTPAZBFUFYXHTB-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782366 663428589 /nfs/dbraw/zinc/42/85/89/663428589.db2.gz UTPAZBFUFYXHTB-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782366 663428590 /nfs/dbraw/zinc/42/85/90/663428590.db2.gz UTPAZBFUFYXHTB-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001022275300 663428664 /nfs/dbraw/zinc/42/86/64/663428664.db2.gz JSMCNYWXOKEXEF-MCYUEQNJSA-N 2 2 355.870 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001022275300 663428667 /nfs/dbraw/zinc/42/86/67/663428667.db2.gz JSMCNYWXOKEXEF-MCYUEQNJSA-N 2 2 355.870 0.529 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000891738020 663432272 /nfs/dbraw/zinc/43/22/72/663432272.db2.gz FKWLDZSRAKRQTL-QGZVFWFLSA-N 2 2 355.527 0.232 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000891738020 663432273 /nfs/dbraw/zinc/43/22/73/663432273.db2.gz FKWLDZSRAKRQTL-QGZVFWFLSA-N 2 2 355.527 0.232 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892158197 663483317 /nfs/dbraw/zinc/48/33/17/663483317.db2.gz ZEFUJVAYODGOAC-CQSZACIVSA-N 2 2 354.405 0.344 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cnns3)C2)O1 ZINC001023452329 663628618 /nfs/dbraw/zinc/62/86/18/663628618.db2.gz XVRROOZURAOJNN-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cnns3)C2)O1 ZINC001023452329 663628620 /nfs/dbraw/zinc/62/86/20/663628620.db2.gz XVRROOZURAOJNN-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cnns3)C2)O1 ZINC001023452329 663628622 /nfs/dbraw/zinc/62/86/22/663628622.db2.gz XVRROOZURAOJNN-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnns3)C2)O1 ZINC001023452329 663628625 /nfs/dbraw/zinc/62/86/25/663628625.db2.gz XVRROOZURAOJNN-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@]1(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCC[NH2+]C1 ZINC000904335807 665987122 /nfs/dbraw/zinc/98/71/22/665987122.db2.gz CIVZQFIKUAGBAH-KRWDZBQOSA-N 2 2 352.504 0.846 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000892514158 663996873 /nfs/dbraw/zinc/99/68/73/663996873.db2.gz XDHIMGXFQUMONT-ZFWWWQNUSA-N 2 2 365.503 0.892 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C3OCCO3)C2)CC1 ZINC000893025108 664199970 /nfs/dbraw/zinc/19/99/70/664199970.db2.gz XZWLUQHVAMJUCJ-GOEBONIOSA-N 2 2 352.479 0.702 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C3OCCO3)C2)CC1 ZINC000893025108 664199971 /nfs/dbraw/zinc/19/99/71/664199971.db2.gz XZWLUQHVAMJUCJ-GOEBONIOSA-N 2 2 352.479 0.702 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000020630919 664200317 /nfs/dbraw/zinc/20/03/17/664200317.db2.gz GYYKIUIQQFDFHH-ZDUSSCGKSA-N 2 2 352.435 0.235 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000020630919 664200318 /nfs/dbraw/zinc/20/03/18/664200318.db2.gz GYYKIUIQQFDFHH-ZDUSSCGKSA-N 2 2 352.435 0.235 20 0 FCADLP Cc1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001026514594 664239565 /nfs/dbraw/zinc/23/95/65/664239565.db2.gz KNNRDONUKFNQFJ-GALLPEHLSA-N 2 2 351.451 0.614 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026967635 664283238 /nfs/dbraw/zinc/28/32/38/664283238.db2.gz BKVNQTSEAQSBJR-KSZLIROESA-N 2 2 351.491 0.714 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nncn2C)O1 ZINC000960045296 674614448 /nfs/dbraw/zinc/61/44/48/674614448.db2.gz ZTQDCPVGTVZLIF-QLFBSQMISA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nncn2C)O1 ZINC000960045296 674614452 /nfs/dbraw/zinc/61/44/52/674614452.db2.gz ZTQDCPVGTVZLIF-QLFBSQMISA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ncnn2C)O1 ZINC000960045826 674614477 /nfs/dbraw/zinc/61/44/77/674614477.db2.gz LOQSYNCLUNPPTC-QLFBSQMISA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ncnn2C)O1 ZINC000960045826 674614479 /nfs/dbraw/zinc/61/44/79/674614479.db2.gz LOQSYNCLUNPPTC-QLFBSQMISA-N 2 2 350.467 0.005 20 0 FCADLP CC[NH+]1CCC([NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000895488218 665046433 /nfs/dbraw/zinc/04/64/33/665046433.db2.gz VWNIBYYQCIXTGW-UHFFFAOYSA-N 2 2 354.476 0.607 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)sn1 ZINC000960522134 674677809 /nfs/dbraw/zinc/67/78/09/674677809.db2.gz BIUAWPSDKNLXAI-JZYAIQKZSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)sn1 ZINC000960522134 674677813 /nfs/dbraw/zinc/67/78/13/674677813.db2.gz BIUAWPSDKNLXAI-JZYAIQKZSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC000960522134 674677817 /nfs/dbraw/zinc/67/78/17/674677817.db2.gz BIUAWPSDKNLXAI-JZYAIQKZSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC000960522134 674677821 /nfs/dbraw/zinc/67/78/21/674677821.db2.gz BIUAWPSDKNLXAI-JZYAIQKZSA-N 2 2 350.488 0.717 20 0 FCADLP CO[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000895684521 665056055 /nfs/dbraw/zinc/05/60/55/665056055.db2.gz DKZFRLFUQIEAFU-RTBURBONSA-N 2 2 355.523 0.814 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767604 665171376 /nfs/dbraw/zinc/17/13/76/665171376.db2.gz VSEFXUMLZVEXBS-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767604 665171378 /nfs/dbraw/zinc/17/13/78/665171378.db2.gz VSEFXUMLZVEXBS-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767604 665171379 /nfs/dbraw/zinc/17/13/79/665171379.db2.gz VSEFXUMLZVEXBS-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767604 665171380 /nfs/dbraw/zinc/17/13/80/665171380.db2.gz VSEFXUMLZVEXBS-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3cnns3)CC2)O1 ZINC000985495847 665171810 /nfs/dbraw/zinc/17/18/10/665171810.db2.gz KYMSNDPAXUZHTB-IUODEOHRSA-N 2 2 353.492 0.680 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3cnns3)CC2)O1 ZINC000985495847 665171811 /nfs/dbraw/zinc/17/18/11/665171811.db2.gz KYMSNDPAXUZHTB-IUODEOHRSA-N 2 2 353.492 0.680 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)Cc3cnns3)CC2)O1 ZINC000985495847 665171812 /nfs/dbraw/zinc/17/18/12/665171812.db2.gz KYMSNDPAXUZHTB-IUODEOHRSA-N 2 2 353.492 0.680 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)Cc3cnns3)CC2)O1 ZINC000985495847 665171814 /nfs/dbraw/zinc/17/18/14/665171814.db2.gz KYMSNDPAXUZHTB-IUODEOHRSA-N 2 2 353.492 0.680 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515666 665298457 /nfs/dbraw/zinc/29/84/57/665298457.db2.gz XYOXWWIXHMCQOB-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515666 665298461 /nfs/dbraw/zinc/29/84/61/665298461.db2.gz XYOXWWIXHMCQOB-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000897515666 665298464 /nfs/dbraw/zinc/29/84/64/665298464.db2.gz XYOXWWIXHMCQOB-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000897515666 665298467 /nfs/dbraw/zinc/29/84/67/665298467.db2.gz XYOXWWIXHMCQOB-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000907515697 666140666 /nfs/dbraw/zinc/14/06/66/666140666.db2.gz CLYOGPYLQXLHAR-QZTJIDSGSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000907515697 666140667 /nfs/dbraw/zinc/14/06/67/666140667.db2.gz CLYOGPYLQXLHAR-QZTJIDSGSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000907839920 666166620 /nfs/dbraw/zinc/16/66/20/666166620.db2.gz RDEVGBGQBUXRPD-HDICACEKSA-N 2 2 354.539 0.970 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000907839920 666166621 /nfs/dbraw/zinc/16/66/21/666166621.db2.gz RDEVGBGQBUXRPD-HDICACEKSA-N 2 2 354.539 0.970 20 0 FCADLP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841149 666368793 /nfs/dbraw/zinc/36/87/93/666368793.db2.gz ILUHQQQWOVGVKF-FZKQIMNGSA-N 2 2 350.438 0.755 20 0 FCADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841145 666368834 /nfs/dbraw/zinc/36/88/34/666368834.db2.gz ILUHQQQWOVGVKF-ACJLOTCBSA-N 2 2 350.438 0.755 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C)C[C@H]3CO)CC2)CC1 ZINC000912738294 666470026 /nfs/dbraw/zinc/47/00/26/666470026.db2.gz AYZVEWNYMWQXLU-SFHVURJKSA-N 2 2 352.523 0.318 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992696 666490535 /nfs/dbraw/zinc/49/05/35/666490535.db2.gz KTXWWHULORPCFQ-LPHOPBHVSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992696 666490536 /nfs/dbraw/zinc/49/05/36/666490536.db2.gz KTXWWHULORPCFQ-LPHOPBHVSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000912992696 666490537 /nfs/dbraw/zinc/49/05/37/666490537.db2.gz KTXWWHULORPCFQ-LPHOPBHVSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000912992696 666490538 /nfs/dbraw/zinc/49/05/38/666490538.db2.gz KTXWWHULORPCFQ-LPHOPBHVSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992698 666490541 /nfs/dbraw/zinc/49/05/41/666490541.db2.gz KTXWWHULORPCFQ-VQIMIIECSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992698 666490542 /nfs/dbraw/zinc/49/05/42/666490542.db2.gz KTXWWHULORPCFQ-VQIMIIECSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000912992698 666490543 /nfs/dbraw/zinc/49/05/43/666490543.db2.gz KTXWWHULORPCFQ-VQIMIIECSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000912992698 666490544 /nfs/dbraw/zinc/49/05/44/666490544.db2.gz KTXWWHULORPCFQ-VQIMIIECSA-N 2 2 353.507 0.840 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069469070 666514194 /nfs/dbraw/zinc/51/41/94/666514194.db2.gz GOPKTEUFGGVABZ-UHFFFAOYSA-N 2 2 374.551 0.621 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069469070 666514195 /nfs/dbraw/zinc/51/41/95/666514195.db2.gz GOPKTEUFGGVABZ-UHFFFAOYSA-N 2 2 374.551 0.621 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000913988882 666678576 /nfs/dbraw/zinc/67/85/76/666678576.db2.gz QIHWBVMQQMZPKW-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000914115948 666698774 /nfs/dbraw/zinc/69/87/74/666698774.db2.gz JAOGBPBPRQHZCZ-MRXNPFEDSA-N 2 2 353.511 0.569 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000914115948 666698778 /nfs/dbraw/zinc/69/87/78/666698778.db2.gz JAOGBPBPRQHZCZ-MRXNPFEDSA-N 2 2 353.511 0.569 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418015 666795536 /nfs/dbraw/zinc/79/55/36/666795536.db2.gz HOZKTRVSVWPAIC-UONOGXRCSA-N 2 2 355.483 0.541 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418015 666795537 /nfs/dbraw/zinc/79/55/37/666795537.db2.gz HOZKTRVSVWPAIC-UONOGXRCSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418015 666795538 /nfs/dbraw/zinc/79/55/38/666795538.db2.gz HOZKTRVSVWPAIC-UONOGXRCSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418015 666795539 /nfs/dbraw/zinc/79/55/39/666795539.db2.gz HOZKTRVSVWPAIC-UONOGXRCSA-N 2 2 355.483 0.541 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)[nH]1 ZINC000995959621 666897265 /nfs/dbraw/zinc/89/72/65/666897265.db2.gz QSBBRNLALAFHOL-BNOWGMLFSA-N 2 2 350.467 0.159 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)[nH]1 ZINC000995959621 666897271 /nfs/dbraw/zinc/89/72/71/666897271.db2.gz QSBBRNLALAFHOL-BNOWGMLFSA-N 2 2 350.467 0.159 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1)[NH+](C)C ZINC000993615350 666921398 /nfs/dbraw/zinc/92/13/98/666921398.db2.gz NFILZMSOQXKRNC-IJLUTSLNSA-N 2 2 357.405 0.436 20 0 FCADLP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712405 666963867 /nfs/dbraw/zinc/96/38/67/666963867.db2.gz NWSZFDBXTMXRTQ-LALPHHSUSA-N 2 2 351.451 0.739 20 0 FCADLP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712405 666963869 /nfs/dbraw/zinc/96/38/69/666963869.db2.gz NWSZFDBXTMXRTQ-LALPHHSUSA-N 2 2 351.451 0.739 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000917006392 667044363 /nfs/dbraw/zinc/04/43/63/667044363.db2.gz BUCSANAOTXMFLR-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000917006392 667044364 /nfs/dbraw/zinc/04/43/64/667044364.db2.gz BUCSANAOTXMFLR-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CC4(C3)OCCO4)C2)CC1 ZINC000918906885 667140378 /nfs/dbraw/zinc/14/03/78/667140378.db2.gz SJEUPIJQAMCDEQ-OAHLLOKOSA-N 2 2 352.479 0.607 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CC4(C3)OCCO4)C2)CC1 ZINC000918906885 667140382 /nfs/dbraw/zinc/14/03/82/667140382.db2.gz SJEUPIJQAMCDEQ-OAHLLOKOSA-N 2 2 352.479 0.607 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032473346 667150660 /nfs/dbraw/zinc/15/06/60/667150660.db2.gz LGNPYQHTTBJZCV-SYAUCNOPSA-N 2 2 364.515 0.998 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032473346 667150663 /nfs/dbraw/zinc/15/06/63/667150663.db2.gz LGNPYQHTTBJZCV-SYAUCNOPSA-N 2 2 364.515 0.998 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473346 667150666 /nfs/dbraw/zinc/15/06/66/667150666.db2.gz LGNPYQHTTBJZCV-SYAUCNOPSA-N 2 2 364.515 0.998 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473346 667150669 /nfs/dbraw/zinc/15/06/69/667150669.db2.gz LGNPYQHTTBJZCV-SYAUCNOPSA-N 2 2 364.515 0.998 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000921667389 667214860 /nfs/dbraw/zinc/21/48/60/667214860.db2.gz GXDFHIOJKBDPBI-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP COCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999191383 667230226 /nfs/dbraw/zinc/23/02/26/667230226.db2.gz YBCHXKYIFHNOFV-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999191383 667230228 /nfs/dbraw/zinc/23/02/28/667230228.db2.gz YBCHXKYIFHNOFV-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000920453373 667241037 /nfs/dbraw/zinc/24/10/37/667241037.db2.gz ZGAJSFIBHSUQED-IRXDYDNUSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031682361 667263635 /nfs/dbraw/zinc/26/36/35/667263635.db2.gz GEDIBUVOXBLWHZ-IIAWOOMASA-N 2 2 357.520 0.199 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031682361 667263637 /nfs/dbraw/zinc/26/36/37/667263637.db2.gz GEDIBUVOXBLWHZ-IIAWOOMASA-N 2 2 357.520 0.199 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031683873 667268215 /nfs/dbraw/zinc/26/82/15/667268215.db2.gz AQWVNWVLCKKIKF-BHYGNILZSA-N 2 2 371.547 0.590 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031683873 667268217 /nfs/dbraw/zinc/26/82/17/667268217.db2.gz AQWVNWVLCKKIKF-BHYGNILZSA-N 2 2 371.547 0.590 20 0 FCADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000839616734 667711369 /nfs/dbraw/zinc/71/13/69/667711369.db2.gz VFPLTQMBASLZKV-UHFFFAOYSA-N 2 2 353.467 0.592 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005581246 667763303 /nfs/dbraw/zinc/76/33/03/667763303.db2.gz JUIRXOZTVDVECA-IJEWVQPXSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005581246 667763306 /nfs/dbraw/zinc/76/33/06/667763306.db2.gz JUIRXOZTVDVECA-IJEWVQPXSA-N 2 2 354.495 0.105 20 0 FCADLP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001034673865 667763347 /nfs/dbraw/zinc/76/33/47/667763347.db2.gz CEFDMKZOWQJYGD-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001034673865 667763348 /nfs/dbraw/zinc/76/33/48/667763348.db2.gz CEFDMKZOWQJYGD-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP CCn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001034973798 667773057 /nfs/dbraw/zinc/77/30/57/667773057.db2.gz CXJMSNDIRRSPRR-FVQBIDKESA-N 2 2 350.467 0.098 20 0 FCADLP CCn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001034973798 667773059 /nfs/dbraw/zinc/77/30/59/667773059.db2.gz CXJMSNDIRRSPRR-FVQBIDKESA-N 2 2 350.467 0.098 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000923323070 667825253 /nfs/dbraw/zinc/82/52/53/667825253.db2.gz PUVFKAMOUQSKOC-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923333278 667826161 /nfs/dbraw/zinc/82/61/61/667826161.db2.gz QAMCBARCMAHLNK-GJZGRUSLSA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923333278 667826164 /nfs/dbraw/zinc/82/61/64/667826164.db2.gz QAMCBARCMAHLNK-GJZGRUSLSA-N 2 2 367.877 0.976 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378136 667828907 /nfs/dbraw/zinc/82/89/07/667828907.db2.gz RFSOOKFDIWXHFY-KBPBESRZSA-N 2 2 351.476 0.872 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378136 667828910 /nfs/dbraw/zinc/82/89/10/667828910.db2.gz RFSOOKFDIWXHFY-KBPBESRZSA-N 2 2 351.476 0.872 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000923514582 667842695 /nfs/dbraw/zinc/84/26/95/667842695.db2.gz GDKGVLLNAIZJOB-UMVBOHGHSA-N 2 2 350.438 0.646 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000923514582 667842698 /nfs/dbraw/zinc/84/26/98/667842698.db2.gz GDKGVLLNAIZJOB-UMVBOHGHSA-N 2 2 350.438 0.646 20 0 FCADLP CCCN1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1COC ZINC000761306297 667886416 /nfs/dbraw/zinc/88/64/16/667886416.db2.gz VGKXMEAJIAQDPI-CVEARBPZSA-N 2 2 352.479 0.844 20 0 FCADLP CCCN1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1COC ZINC000761306297 667886418 /nfs/dbraw/zinc/88/64/18/667886418.db2.gz VGKXMEAJIAQDPI-CVEARBPZSA-N 2 2 352.479 0.844 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303856 667886441 /nfs/dbraw/zinc/88/64/41/667886441.db2.gz NTHGLKCVAZIINC-CVEARBPZSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303856 667886443 /nfs/dbraw/zinc/88/64/43/667886443.db2.gz NTHGLKCVAZIINC-CVEARBPZSA-N 2 2 350.463 0.502 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000838415446 667934191 /nfs/dbraw/zinc/93/41/91/667934191.db2.gz TUVIVRRDRBAEAQ-MRXNPFEDSA-N 2 2 374.551 0.621 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000838415446 667934193 /nfs/dbraw/zinc/93/41/93/667934193.db2.gz TUVIVRRDRBAEAQ-MRXNPFEDSA-N 2 2 374.551 0.621 20 0 FCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000838415441 667934217 /nfs/dbraw/zinc/93/42/17/667934217.db2.gz TUVIVRRDRBAEAQ-INIZCTEOSA-N 2 2 374.551 0.621 20 0 FCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000838415441 667934218 /nfs/dbraw/zinc/93/42/18/667934218.db2.gz TUVIVRRDRBAEAQ-INIZCTEOSA-N 2 2 374.551 0.621 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCC=CO1 ZINC000805512584 668158853 /nfs/dbraw/zinc/15/88/53/668158853.db2.gz ZMNHINVOPFLJDO-INIZCTEOSA-N 2 2 352.479 0.280 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCC=CO1 ZINC000805512584 668158854 /nfs/dbraw/zinc/15/88/54/668158854.db2.gz ZMNHINVOPFLJDO-INIZCTEOSA-N 2 2 352.479 0.280 20 0 FCADLP CCN(CC)C(=O)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771770492 668271901 /nfs/dbraw/zinc/27/19/01/668271901.db2.gz ZLVHJPMMPWPZGI-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771770492 668271906 /nfs/dbraw/zinc/27/19/06/668271906.db2.gz ZLVHJPMMPWPZGI-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982314 668402557 /nfs/dbraw/zinc/40/25/57/668402557.db2.gz KLVFPSCGNHJMPO-GJZGRUSLSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982314 668402559 /nfs/dbraw/zinc/40/25/59/668402559.db2.gz KLVFPSCGNHJMPO-GJZGRUSLSA-N 2 2 354.495 0.996 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000782615850 668571352 /nfs/dbraw/zinc/57/13/52/668571352.db2.gz JJCAHTBMUNFXTR-FUHWJXTLSA-N 2 2 351.491 0.452 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000782615850 668571359 /nfs/dbraw/zinc/57/13/59/668571359.db2.gz JJCAHTBMUNFXTR-FUHWJXTLSA-N 2 2 351.491 0.452 20 0 FCADLP CC(C)[C@@H](F)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000784398638 668654748 /nfs/dbraw/zinc/65/47/48/668654748.db2.gz SXVRLGJXVYOHNX-QGZVFWFLSA-N 2 2 356.486 0.677 20 0 FCADLP CC(C)OC[C@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771713 668995569 /nfs/dbraw/zinc/99/55/69/668995569.db2.gz BGMFYRAVSFCDNT-CVEARBPZSA-N 2 2 352.479 0.843 20 0 FCADLP CC(C)OC[C@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771713 668995572 /nfs/dbraw/zinc/99/55/72/668995572.db2.gz BGMFYRAVSFCDNT-CVEARBPZSA-N 2 2 352.479 0.843 20 0 FCADLP CS[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209743 669398715 /nfs/dbraw/zinc/39/87/15/669398715.db2.gz ARDKEQBHADFPIU-SQWLQELKSA-N 2 2 368.547 0.671 20 0 FCADLP CS[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209743 669398717 /nfs/dbraw/zinc/39/87/17/669398717.db2.gz ARDKEQBHADFPIU-SQWLQELKSA-N 2 2 368.547 0.671 20 0 FCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C12CCC2 ZINC000825518618 669457705 /nfs/dbraw/zinc/45/77/05/669457705.db2.gz BXOQWPYYDBVHJV-LTIDMASMSA-N 2 2 351.491 0.855 20 0 FCADLP CN(C(=O)C(=O)NCCC1CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807040195 669462235 /nfs/dbraw/zinc/46/22/35/669462235.db2.gz OCHRIQWRPMEZLM-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)C(=O)NCCC1CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807040195 669462237 /nfs/dbraw/zinc/46/22/37/669462237.db2.gz OCHRIQWRPMEZLM-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000829116076 669684475 /nfs/dbraw/zinc/68/44/75/669684475.db2.gz OEQDSFHZXMAZAQ-MRXNPFEDSA-N 2 2 353.488 0.182 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nncs2)C3)O1 ZINC000964032072 675036671 /nfs/dbraw/zinc/03/66/71/675036671.db2.gz KWENCFBATKBWJA-JEJCEMRNSA-N 2 2 365.503 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2nncs2)C3)O1 ZINC000964032072 675036673 /nfs/dbraw/zinc/03/66/73/675036673.db2.gz KWENCFBATKBWJA-JEJCEMRNSA-N 2 2 365.503 0.774 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000837465855 670110415 /nfs/dbraw/zinc/11/04/15/670110415.db2.gz NLJHSTBHEYUIMA-CQSZACIVSA-N 2 2 351.451 0.859 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000837465855 670110416 /nfs/dbraw/zinc/11/04/16/670110416.db2.gz NLJHSTBHEYUIMA-CQSZACIVSA-N 2 2 351.451 0.859 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c1C ZINC000844177593 670905797 /nfs/dbraw/zinc/90/57/97/670905797.db2.gz LUPVNXJRHYEUAK-UHFFFAOYSA-N 2 2 355.460 0.490 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805965 671150560 /nfs/dbraw/zinc/15/05/60/671150560.db2.gz ITUDRZSYDITXHD-INIZCTEOSA-N 2 2 358.527 0.784 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805965 671150562 /nfs/dbraw/zinc/15/05/62/671150562.db2.gz ITUDRZSYDITXHD-INIZCTEOSA-N 2 2 358.527 0.784 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805965 671150566 /nfs/dbraw/zinc/15/05/66/671150566.db2.gz ITUDRZSYDITXHD-INIZCTEOSA-N 2 2 358.527 0.784 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805965 671150569 /nfs/dbraw/zinc/15/05/69/671150569.db2.gz ITUDRZSYDITXHD-INIZCTEOSA-N 2 2 358.527 0.784 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912052 671157635 /nfs/dbraw/zinc/15/76/35/671157635.db2.gz VKGPAMYWIAZSFU-CHWSQXEVSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912052 671157637 /nfs/dbraw/zinc/15/76/37/671157637.db2.gz VKGPAMYWIAZSFU-CHWSQXEVSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912052 671157641 /nfs/dbraw/zinc/15/76/41/671157641.db2.gz VKGPAMYWIAZSFU-CHWSQXEVSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912052 671157643 /nfs/dbraw/zinc/15/76/43/671157643.db2.gz VKGPAMYWIAZSFU-CHWSQXEVSA-N 2 2 355.401 0.316 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757321 671523964 /nfs/dbraw/zinc/52/39/64/671523964.db2.gz RGBRANQORWNTEC-OLZOCXBDSA-N 2 2 364.412 0.539 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757321 671523967 /nfs/dbraw/zinc/52/39/67/671523967.db2.gz RGBRANQORWNTEC-OLZOCXBDSA-N 2 2 364.412 0.539 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000852867285 671528329 /nfs/dbraw/zinc/52/83/29/671528329.db2.gz SDTMUEBWBRRUNA-UHFFFAOYSA-N 2 2 365.499 0.571 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865594833 672246001 /nfs/dbraw/zinc/24/60/01/672246001.db2.gz XVEUPFIMBYZFPT-KRWDZBQOSA-N 2 2 350.511 0.963 20 0 FCADLP COCCNC(=O)CN1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873200312 672712003 /nfs/dbraw/zinc/71/20/03/672712003.db2.gz CBZUIAQLPZUCGM-UHFFFAOYSA-N 2 2 352.504 0.274 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CCO1 ZINC000875195196 672846613 /nfs/dbraw/zinc/84/66/13/672846613.db2.gz POKYHVCUNAZWQO-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CCO1 ZINC000875195196 672846619 /nfs/dbraw/zinc/84/66/19/672846619.db2.gz POKYHVCUNAZWQO-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CON(C)C(=O)[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875896730 672925862 /nfs/dbraw/zinc/92/58/62/672925862.db2.gz QLMIERKDHOQYAR-ZFWWWQNUSA-N 2 2 355.483 0.205 20 0 FCADLP CON(C)C(=O)[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875896730 672925864 /nfs/dbraw/zinc/92/58/64/672925864.db2.gz QLMIERKDHOQYAR-ZFWWWQNUSA-N 2 2 355.483 0.205 20 0 FCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001050921602 676094532 /nfs/dbraw/zinc/09/45/32/676094532.db2.gz IIJRPDMSCKUTHV-KSZLIROESA-N 2 2 353.507 0.960 20 0 FCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001050921602 676094534 /nfs/dbraw/zinc/09/45/34/676094534.db2.gz IIJRPDMSCKUTHV-KSZLIROESA-N 2 2 353.507 0.960 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC000879219333 673105143 /nfs/dbraw/zinc/10/51/43/673105143.db2.gz OYQSQBXNCHZMGU-GJZGRUSLSA-N 2 2 352.479 0.844 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC000879219333 673105145 /nfs/dbraw/zinc/10/51/45/673105145.db2.gz OYQSQBXNCHZMGU-GJZGRUSLSA-N 2 2 352.479 0.844 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001051623396 676106679 /nfs/dbraw/zinc/10/66/79/676106679.db2.gz GKYKNUSKCRLFCS-SOUVJXGZSA-N 2 2 353.492 0.585 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001051623396 676106680 /nfs/dbraw/zinc/10/66/80/676106680.db2.gz GKYKNUSKCRLFCS-SOUVJXGZSA-N 2 2 353.492 0.585 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591647 673129208 /nfs/dbraw/zinc/12/92/08/673129208.db2.gz RNXXRKZBSLRRCX-HNNXBMFYSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591648 673129589 /nfs/dbraw/zinc/12/95/89/673129589.db2.gz RNXXRKZBSLRRCX-OAHLLOKOSA-N 2 2 353.511 0.569 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)no1 ZINC001051681502 676108396 /nfs/dbraw/zinc/10/83/96/676108396.db2.gz XFHWWFFGTYJGED-FVQBIDKESA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)no1 ZINC001051681502 676108398 /nfs/dbraw/zinc/10/83/98/676108398.db2.gz XFHWWFFGTYJGED-FVQBIDKESA-N 2 2 352.435 0.019 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001051681588 676108779 /nfs/dbraw/zinc/10/87/79/676108779.db2.gz YSANVBKSPFVRBS-BPLDGKMQSA-N 2 2 354.476 0.179 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001051681588 676108783 /nfs/dbraw/zinc/10/87/83/676108783.db2.gz YSANVBKSPFVRBS-BPLDGKMQSA-N 2 2 354.476 0.179 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000882329101 673304273 /nfs/dbraw/zinc/30/42/73/673304273.db2.gz WFQLAEGPDTWZFJ-QGZVFWFLSA-N 2 2 354.539 0.972 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000883271970 673370297 /nfs/dbraw/zinc/37/02/97/673370297.db2.gz ZWWPYLOFJPHCLL-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000883271970 673370298 /nfs/dbraw/zinc/37/02/98/673370298.db2.gz ZWWPYLOFJPHCLL-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP COC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCOC1 ZINC000883371527 673371935 /nfs/dbraw/zinc/37/19/35/673371935.db2.gz OBRXIYFXVHLXHD-FHWLQOOXSA-N 2 2 355.523 0.814 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000883472671 673378016 /nfs/dbraw/zinc/37/80/16/673378016.db2.gz GZJFIDMVGVKZFM-DOTOQJQBSA-N 2 2 353.488 0.683 20 0 FCADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883484502 673379286 /nfs/dbraw/zinc/37/92/86/673379286.db2.gz UCICUTFJVNYDQN-CVEARBPZSA-N 2 2 350.444 0.532 20 0 FCADLP CCC1([NH3+])CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000883544554 673382548 /nfs/dbraw/zinc/38/25/48/673382548.db2.gz SNHIHBVGHLRMIA-UHFFFAOYSA-N 2 2 350.467 0.951 20 0 FCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000884224521 673439586 /nfs/dbraw/zinc/43/95/86/673439586.db2.gz RGUIIYFPQMFLAN-HOCLYGCPSA-N 2 2 354.495 0.045 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000884684748 673472520 /nfs/dbraw/zinc/47/25/20/673472520.db2.gz OLUHVOFASFTMMJ-CJNGLKHVSA-N 2 2 350.438 0.884 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884977041 673495516 /nfs/dbraw/zinc/49/55/16/673495516.db2.gz HTIBDGXQFFJZFS-TZMCWYRMSA-N 2 2 363.487 0.199 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000885279196 673511401 /nfs/dbraw/zinc/51/14/01/673511401.db2.gz GJGZNZOVMBOIRQ-LBPRGKRZSA-N 2 2 355.389 0.477 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000885279196 673511404 /nfs/dbraw/zinc/51/14/04/673511404.db2.gz GJGZNZOVMBOIRQ-LBPRGKRZSA-N 2 2 355.389 0.477 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000885285334 673512210 /nfs/dbraw/zinc/51/22/10/673512210.db2.gz JPXGTKLIBSEHNT-NWDGAFQWSA-N 2 2 355.389 0.477 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749504 673685042 /nfs/dbraw/zinc/68/50/42/673685042.db2.gz IGPXJNRRCNHWLW-ZWKOTPCHSA-N 2 2 352.523 0.460 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889749504 673685045 /nfs/dbraw/zinc/68/50/45/673685045.db2.gz IGPXJNRRCNHWLW-ZWKOTPCHSA-N 2 2 352.523 0.460 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(N)=O ZINC000135004130 673733923 /nfs/dbraw/zinc/73/39/23/673733923.db2.gz QEDRBXAQGASSDE-BBRMVZONSA-N 2 2 353.511 0.744 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000925532131 673793561 /nfs/dbraw/zinc/79/35/61/673793561.db2.gz CXGOVMXXPPFIQI-MRXNPFEDSA-N 2 2 353.488 0.726 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925585374 673794710 /nfs/dbraw/zinc/79/47/10/673794710.db2.gz PABYCYBWJJYPTD-IKGGRYGDSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001014927060 675393658 /nfs/dbraw/zinc/39/36/58/675393658.db2.gz YAWNPCPCQOKEMN-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001014927060 675393659 /nfs/dbraw/zinc/39/36/59/675393659.db2.gz YAWNPCPCQOKEMN-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001014927060 675393660 /nfs/dbraw/zinc/39/36/60/675393660.db2.gz YAWNPCPCQOKEMN-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001014927060 675393662 /nfs/dbraw/zinc/39/36/62/675393662.db2.gz YAWNPCPCQOKEMN-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001014927240 675394061 /nfs/dbraw/zinc/39/40/61/675394061.db2.gz ZAWWFIXDCZEPRU-XNRPHZJLSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001014927240 675394063 /nfs/dbraw/zinc/39/40/63/675394063.db2.gz ZAWWFIXDCZEPRU-XNRPHZJLSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001014927240 675394065 /nfs/dbraw/zinc/39/40/65/675394065.db2.gz ZAWWFIXDCZEPRU-XNRPHZJLSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001014927240 675394067 /nfs/dbraw/zinc/39/40/67/675394067.db2.gz ZAWWFIXDCZEPRU-XNRPHZJLSA-N 2 2 350.463 0.955 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015355044 675395753 /nfs/dbraw/zinc/39/57/53/675395753.db2.gz CDDVHKQDDXLFST-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015355044 675395754 /nfs/dbraw/zinc/39/57/54/675395754.db2.gz CDDVHKQDDXLFST-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001017153447 675409409 /nfs/dbraw/zinc/40/94/09/675409409.db2.gz PFDJBTDFSTWWRH-IIAWOOMASA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001017153447 675409412 /nfs/dbraw/zinc/40/94/12/675409412.db2.gz PFDJBTDFSTWWRH-IIAWOOMASA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3cnns3)C2)O1 ZINC001017153447 675409413 /nfs/dbraw/zinc/40/94/13/675409413.db2.gz PFDJBTDFSTWWRH-IIAWOOMASA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cnns3)C2)O1 ZINC001017153447 675409414 /nfs/dbraw/zinc/40/94/14/675409414.db2.gz PFDJBTDFSTWWRH-IIAWOOMASA-N 2 2 367.519 0.928 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001019032335 675420202 /nfs/dbraw/zinc/42/02/02/675420202.db2.gz QKEMHDSJVWLURI-IVMMDQJWSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001019032335 675420203 /nfs/dbraw/zinc/42/02/03/675420203.db2.gz QKEMHDSJVWLURI-IVMMDQJWSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001020286634 675439378 /nfs/dbraw/zinc/43/93/78/675439378.db2.gz HDHGCWYDCPTUOB-XVIXHAIJSA-N 2 2 350.467 0.384 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001020286634 675439382 /nfs/dbraw/zinc/43/93/82/675439382.db2.gz HDHGCWYDCPTUOB-XVIXHAIJSA-N 2 2 350.467 0.384 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001020286614 675439557 /nfs/dbraw/zinc/43/95/57/675439557.db2.gz GLZQOZVCRCZTKR-OMRXRXQOSA-N 2 2 353.492 0.863 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001020286614 675439558 /nfs/dbraw/zinc/43/95/58/675439558.db2.gz GLZQOZVCRCZTKR-OMRXRXQOSA-N 2 2 353.492 0.863 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038402422 675444471 /nfs/dbraw/zinc/44/44/71/675444471.db2.gz ZPKYYOBYFUMZAR-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038402422 675444472 /nfs/dbraw/zinc/44/44/72/675444472.db2.gz ZPKYYOBYFUMZAR-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038402422 675444476 /nfs/dbraw/zinc/44/44/76/675444476.db2.gz ZPKYYOBYFUMZAR-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038402422 675444477 /nfs/dbraw/zinc/44/44/77/675444477.db2.gz ZPKYYOBYFUMZAR-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP C/C(Cl)=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900605326 675699121 /nfs/dbraw/zinc/69/91/21/675699121.db2.gz JBRXWOGJMZJQTC-WYMLVPIESA-N 2 2 356.898 0.826 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3CSCCSC3)C2)CC1 ZINC000900672734 675706324 /nfs/dbraw/zinc/70/63/24/675706324.db2.gz DIFLXHKPGTYYBU-AWEZNQCLSA-N 2 2 358.577 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3CSCCSC3)C2)CC1 ZINC000900672734 675706328 /nfs/dbraw/zinc/70/63/28/675706328.db2.gz DIFLXHKPGTYYBU-AWEZNQCLSA-N 2 2 358.577 0.968 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900686909 675707544 /nfs/dbraw/zinc/70/75/44/675707544.db2.gz PJPYKLASJKBFFB-SFHVURJKSA-N 2 2 353.555 0.545 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000900802744 675717538 /nfs/dbraw/zinc/71/75/38/675717538.db2.gz GJIZVOYEUWIICL-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000900802744 675717540 /nfs/dbraw/zinc/71/75/40/675717540.db2.gz GJIZVOYEUWIICL-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC000900802744 675717546 /nfs/dbraw/zinc/71/75/46/675717546.db2.gz GJIZVOYEUWIICL-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000900802744 675717549 /nfs/dbraw/zinc/71/75/49/675717549.db2.gz GJIZVOYEUWIICL-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+](C)CCCN(C(=O)CNc1cccc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000900982247 675737151 /nfs/dbraw/zinc/73/71/51/675737151.db2.gz VQUNOMUXOJBMKC-AWEZNQCLSA-N 2 2 354.476 0.461 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cncc(F)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385859 675796049 /nfs/dbraw/zinc/79/60/49/675796049.db2.gz FMZKPRYYPCPLAU-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cncc(F)c3)C[C@@H]2O)CC[N@H+]1C ZINC001047385859 675796050 /nfs/dbraw/zinc/79/60/50/675796050.db2.gz FMZKPRYYPCPLAU-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001047385859 675796052 /nfs/dbraw/zinc/79/60/52/675796052.db2.gz FMZKPRYYPCPLAU-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001047385859 675796054 /nfs/dbraw/zinc/79/60/54/675796054.db2.gz FMZKPRYYPCPLAU-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001020603525 1168148333 /nfs/dbraw/zinc/14/83/33/1168148333.db2.gz FFASFXUOQKYQFT-QCODTGAPSA-N 2 2 359.474 0.770 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC000970042127 1168304337 /nfs/dbraw/zinc/30/43/37/1168304337.db2.gz ZVIDJHIEMAMXNJ-NQNKBUKLSA-N 2 2 371.485 0.677 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC000970042127 1168304346 /nfs/dbraw/zinc/30/43/46/1168304346.db2.gz ZVIDJHIEMAMXNJ-NQNKBUKLSA-N 2 2 371.485 0.677 20 0 FCADLP O=C(COC1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1)NC1CC1 ZINC001167144751 1168393848 /nfs/dbraw/zinc/39/38/48/1168393848.db2.gz RIDICMBJOVHFJK-UHFFFAOYSA-N 2 2 359.474 0.755 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083198462 1168467609 /nfs/dbraw/zinc/46/76/09/1168467609.db2.gz WJRXQCYNDBUIFY-ZAWLATJESA-N 2 2 374.485 0.862 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083198462 1168467617 /nfs/dbraw/zinc/46/76/17/1168467617.db2.gz WJRXQCYNDBUIFY-ZAWLATJESA-N 2 2 374.485 0.862 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001021235609 1168848346 /nfs/dbraw/zinc/84/83/46/1168848346.db2.gz KABQJVWMYZASND-SOUVJXGZSA-N 2 2 359.474 0.841 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001021235609 1168848350 /nfs/dbraw/zinc/84/83/50/1168848350.db2.gz KABQJVWMYZASND-SOUVJXGZSA-N 2 2 359.474 0.841 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCc2ccnn2C)C1 ZINC000970439633 1168868008 /nfs/dbraw/zinc/86/80/08/1168868008.db2.gz KQJJBWAPTFOFSK-KBRIMQKVSA-N 2 2 356.474 0.936 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC001670517982 1169531375 /nfs/dbraw/zinc/53/13/75/1169531375.db2.gz UNPUIGLRTWDYRI-UHFFFAOYSA-N 2 2 368.482 0.256 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]21 ZINC001083207788 1169780866 /nfs/dbraw/zinc/78/08/66/1169780866.db2.gz OLNBMFJDWONEHB-GBESFXJTSA-N 2 2 370.453 0.467 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)C[C@@H]21 ZINC001083207788 1169780892 /nfs/dbraw/zinc/78/08/92/1169780892.db2.gz OLNBMFJDWONEHB-GBESFXJTSA-N 2 2 370.453 0.467 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC001021702655 1169898261 /nfs/dbraw/zinc/89/82/61/1169898261.db2.gz QRRXAXLKXJJDCF-ZMSDIMECSA-N 2 2 367.453 0.959 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC001021702655 1169898262 /nfs/dbraw/zinc/89/82/62/1169898262.db2.gz QRRXAXLKXJJDCF-ZMSDIMECSA-N 2 2 367.453 0.959 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001021706964 1169904629 /nfs/dbraw/zinc/90/46/29/1169904629.db2.gz BPJIUYUQRCVCSL-LSDHHAIUSA-N 2 2 359.474 0.842 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC001021708443 1169906892 /nfs/dbraw/zinc/90/68/92/1169906892.db2.gz DNNREVSGKDXZDG-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001021708444 1169907052 /nfs/dbraw/zinc/90/70/52/1169907052.db2.gz DPBRGOCZIXVBPU-BVIKNXMNSA-N 2 2 371.485 0.679 20 0 FCADLP CCO[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000932972115 1169937127 /nfs/dbraw/zinc/93/71/27/1169937127.db2.gz BRBHZYPNRJHVGU-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP CCO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000932972115 1169937135 /nfs/dbraw/zinc/93/71/35/1169937135.db2.gz BRBHZYPNRJHVGU-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104345167 1170124397 /nfs/dbraw/zinc/12/43/97/1170124397.db2.gz CZZXUDQDCNOJPV-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104345167 1170124410 /nfs/dbraw/zinc/12/44/10/1170124410.db2.gz CZZXUDQDCNOJPV-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022013715 1170389928 /nfs/dbraw/zinc/38/99/28/1170389928.db2.gz HRTAXTNRGJQRII-KLZNWCGWSA-N 2 2 369.469 0.668 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022013715 1170389937 /nfs/dbraw/zinc/38/99/37/1170389937.db2.gz HRTAXTNRGJQRII-KLZNWCGWSA-N 2 2 369.469 0.668 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001022038597 1170456830 /nfs/dbraw/zinc/45/68/30/1170456830.db2.gz WTATXXCVENOLOS-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104367041 1170648990 /nfs/dbraw/zinc/64/89/90/1170648990.db2.gz FBXOAEKFXQSBFJ-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104367201 1170650473 /nfs/dbraw/zinc/65/04/73/1170650473.db2.gz KNDJBUIPLWQNNF-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087167010 1170753498 /nfs/dbraw/zinc/75/34/98/1170753498.db2.gz OBSOFCHFYZYSKF-VNQPRFMTSA-N 2 2 361.494 0.269 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21)[NH+](C)C ZINC001022223933 1170775103 /nfs/dbraw/zinc/77/51/03/1170775103.db2.gz YIFWGMWTOFGPDN-BHYGNILZSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3C(C)(C)C)C2)O1 ZINC001022276344 1170824310 /nfs/dbraw/zinc/82/43/10/1170824310.db2.gz HRODQKWQLITRAD-APIJFGDWSA-N 2 2 364.494 0.489 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3C(C)(C)C)C2)O1 ZINC001022276344 1170824312 /nfs/dbraw/zinc/82/43/12/1170824312.db2.gz HRODQKWQLITRAD-APIJFGDWSA-N 2 2 364.494 0.489 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691159676 1170843756 /nfs/dbraw/zinc/84/37/56/1170843756.db2.gz JTQILSGHPXAXQA-ARFHVFGLSA-N 2 2 361.490 0.734 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691159676 1170843757 /nfs/dbraw/zinc/84/37/57/1170843757.db2.gz JTQILSGHPXAXQA-ARFHVFGLSA-N 2 2 361.490 0.734 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891749820 1170843818 /nfs/dbraw/zinc/84/38/18/1170843818.db2.gz YNILULIPQBMXQI-IRXDYDNUSA-N 2 2 367.538 0.253 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891749820 1170843821 /nfs/dbraw/zinc/84/38/21/1170843821.db2.gz YNILULIPQBMXQI-IRXDYDNUSA-N 2 2 367.538 0.253 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)NCc1cccnc1 ZINC001691253941 1170892070 /nfs/dbraw/zinc/89/20/70/1170892070.db2.gz VZYQROPURZNHRM-GOEBONIOSA-N 2 2 370.457 0.538 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001022378483 1170898511 /nfs/dbraw/zinc/89/85/11/1170898511.db2.gz LAYYSQCPTDVMAK-JKSUJKDBSA-N 2 2 359.474 0.508 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001022391570 1170992072 /nfs/dbraw/zinc/99/20/72/1170992072.db2.gz ZNSDHCLJACYBTJ-DOTOQJQBSA-N 2 2 370.457 0.617 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)([NH+]2CCOCC2)C1 ZINC000891858938 1171006997 /nfs/dbraw/zinc/00/69/97/1171006997.db2.gz YHADRCHMWDCYRV-DHRZBBNESA-N 2 2 366.506 0.840 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)([NH+]2CCOCC2)C1 ZINC000891858399 1171007020 /nfs/dbraw/zinc/00/70/20/1171007020.db2.gz PDGAYLIWELYHNL-VIHIWDAPSA-N 2 2 366.506 0.792 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001087183525 1171065126 /nfs/dbraw/zinc/06/51/26/1171065126.db2.gz UYUUUMRGIVLMQS-VYDXJSESSA-N 2 2 371.489 0.991 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001691360772 1171204599 /nfs/dbraw/zinc/20/45/99/1171204599.db2.gz LMVNXFWBBIBGAA-OLZOCXBDSA-N 2 2 351.451 0.313 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001087191029 1171340336 /nfs/dbraw/zinc/34/03/36/1171340336.db2.gz SIYAJNFEPUHXIU-OCCSQVGLSA-N 2 2 361.450 0.030 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000892183925 1171698500 /nfs/dbraw/zinc/69/85/00/1171698500.db2.gz MXGFTVDYZOSILV-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000892183925 1171698508 /nfs/dbraw/zinc/69/85/08/1171698508.db2.gz MXGFTVDYZOSILV-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000892184697 1171699735 /nfs/dbraw/zinc/69/97/35/1171699735.db2.gz VXRVANNXIAQIMJ-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000892184697 1171699743 /nfs/dbraw/zinc/69/97/43/1171699743.db2.gz VXRVANNXIAQIMJ-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000892254825 1171803100 /nfs/dbraw/zinc/80/31/00/1171803100.db2.gz WEIAKDCMQHXQNP-UHFFFAOYSA-N 2 2 371.489 0.965 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000892254825 1171803102 /nfs/dbraw/zinc/80/31/02/1171803102.db2.gz WEIAKDCMQHXQNP-UHFFFAOYSA-N 2 2 371.489 0.965 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)C1 ZINC001022725584 1171819985 /nfs/dbraw/zinc/81/99/85/1171819985.db2.gz SYUSSSAHOYNBCU-GOEBONIOSA-N 2 2 359.474 0.743 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)C1 ZINC001022725584 1171819991 /nfs/dbraw/zinc/81/99/91/1171819991.db2.gz SYUSSSAHOYNBCU-GOEBONIOSA-N 2 2 359.474 0.743 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001022736505 1171839695 /nfs/dbraw/zinc/83/96/95/1171839695.db2.gz WQZXESBGZVKQDZ-LXTVHRRPSA-N 2 2 357.462 0.880 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001083246027 1171892759 /nfs/dbraw/zinc/89/27/59/1171892759.db2.gz VRRJWXMGNUDUGU-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001083246027 1171892762 /nfs/dbraw/zinc/89/27/62/1171892762.db2.gz VRRJWXMGNUDUGU-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247695 1172002550 /nfs/dbraw/zinc/00/25/50/1172002550.db2.gz BAHVFLOVIKIICS-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247695 1172002560 /nfs/dbraw/zinc/00/25/60/1172002560.db2.gz BAHVFLOVIKIICS-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247695 1172002568 /nfs/dbraw/zinc/00/25/68/1172002568.db2.gz BAHVFLOVIKIICS-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247695 1172002577 /nfs/dbraw/zinc/00/25/77/1172002577.db2.gz BAHVFLOVIKIICS-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC001022842395 1172054750 /nfs/dbraw/zinc/05/47/50/1172054750.db2.gz LFLHWUMYBRGMNZ-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000989061884 1192667094 /nfs/dbraw/zinc/66/70/94/1192667094.db2.gz RUDOHZKLPKYOMA-PMPSAXMXSA-N 2 2 371.485 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000989115215 1192690759 /nfs/dbraw/zinc/69/07/59/1192690759.db2.gz ZGTDXTWBGKCWDF-CJNGLKHVSA-N 2 2 352.398 0.950 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459989803 1192784565 /nfs/dbraw/zinc/78/45/65/1192784565.db2.gz LJOVCCRAOZQVEF-QGZVFWFLSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459989803 1192784570 /nfs/dbraw/zinc/78/45/70/1192784570.db2.gz LJOVCCRAOZQVEF-QGZVFWFLSA-N 2 2 368.522 0.354 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000897550436 1192793765 /nfs/dbraw/zinc/79/37/65/1192793765.db2.gz KGGDOMAOSCLIET-QGZVFWFLSA-N 2 2 355.442 0.951 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000897550436 1192793771 /nfs/dbraw/zinc/79/37/71/1192793771.db2.gz KGGDOMAOSCLIET-QGZVFWFLSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088678190 1192817188 /nfs/dbraw/zinc/81/71/88/1192817188.db2.gz JTBFNMHHTRTQRO-PVAVHDDUSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088678190 1192817189 /nfs/dbraw/zinc/81/71/89/1192817189.db2.gz JTBFNMHHTRTQRO-PVAVHDDUSA-N 2 2 369.469 0.923 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C)n1 ZINC001088678426 1192817412 /nfs/dbraw/zinc/81/74/12/1192817412.db2.gz UCFDVKLTLWTAOH-XYPHTWIQSA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C)n1 ZINC001088678426 1192817413 /nfs/dbraw/zinc/81/74/13/1192817413.db2.gz UCFDVKLTLWTAOH-XYPHTWIQSA-N 2 2 371.489 0.933 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(CN4CCNC4=O)CC3)cn2)CC1 ZINC000897582562 1192821418 /nfs/dbraw/zinc/82/14/18/1192821418.db2.gz CAGRGWMGNPJWIQ-UHFFFAOYSA-N 2 2 373.505 0.466 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000842056658 1192865043 /nfs/dbraw/zinc/86/50/43/1192865043.db2.gz BTKIDSHRRKGAOB-XJKSGUPXSA-N 2 2 357.414 0.063 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001087231222 1178854806 /nfs/dbraw/zinc/85/48/06/1178854806.db2.gz KGCAPMANVORCFC-KFWWJZLASA-N 2 2 357.462 0.948 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)C1CCC1 ZINC001083259542 1179317499 /nfs/dbraw/zinc/31/74/99/1179317499.db2.gz GRBPOAYXZGCYCZ-RCCFBDPRSA-N 2 2 362.474 0.987 20 0 FCADLP CO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)C1CCC1 ZINC001083259542 1179317506 /nfs/dbraw/zinc/31/75/06/1179317506.db2.gz GRBPOAYXZGCYCZ-RCCFBDPRSA-N 2 2 362.474 0.987 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)Cc4[nH]c[nH+]c4C)[C@H]3C2)C1 ZINC001083259792 1179324421 /nfs/dbraw/zinc/32/44/21/1179324421.db2.gz RUNINAAGMOSAHQ-MUDYYLEHSA-N 2 2 362.474 0.987 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)Cc4[nH]c[nH+]c4C)[C@H]3C2)C1 ZINC001083259792 1179324429 /nfs/dbraw/zinc/32/44/29/1179324429.db2.gz RUNINAAGMOSAHQ-MUDYYLEHSA-N 2 2 362.474 0.987 20 0 FCADLP CCn1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023449907 1179750131 /nfs/dbraw/zinc/75/01/31/1179750131.db2.gz BPKGUNLVCQGEFE-SOLBZPMBSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023449907 1179750142 /nfs/dbraw/zinc/75/01/42/1179750142.db2.gz BPKGUNLVCQGEFE-SOLBZPMBSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023449907 1179750145 /nfs/dbraw/zinc/75/01/45/1179750145.db2.gz BPKGUNLVCQGEFE-SOLBZPMBSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023449907 1179750155 /nfs/dbraw/zinc/75/01/55/1179750155.db2.gz BPKGUNLVCQGEFE-SOLBZPMBSA-N 2 2 363.506 0.950 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001023600455 1179907115 /nfs/dbraw/zinc/90/71/15/1179907115.db2.gz GGEMIZVBRKKAOV-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001023600455 1179907129 /nfs/dbraw/zinc/90/71/29/1179907129.db2.gz GGEMIZVBRKKAOV-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NCCCOC ZINC001691465749 1180089880 /nfs/dbraw/zinc/08/98/80/1180089880.db2.gz GFGOTWSLTUOUKI-XHSDSOJGSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NCCCOC ZINC001691465749 1180089892 /nfs/dbraw/zinc/08/98/92/1180089892.db2.gz GFGOTWSLTUOUKI-XHSDSOJGSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001691465749 1180089898 /nfs/dbraw/zinc/08/98/98/1180089898.db2.gz GFGOTWSLTUOUKI-XHSDSOJGSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001691465749 1180089909 /nfs/dbraw/zinc/08/99/09/1180089909.db2.gz GFGOTWSLTUOUKI-XHSDSOJGSA-N 2 2 354.495 0.202 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC000972739692 1180692946 /nfs/dbraw/zinc/69/29/46/1180692946.db2.gz WCECPEOTXMFYLX-RHSMWYFYSA-N 2 2 359.474 0.804 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024038553 1180806075 /nfs/dbraw/zinc/80/60/75/1180806075.db2.gz JAZFQJMOMYJNCL-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024038553 1180806077 /nfs/dbraw/zinc/80/60/77/1180806077.db2.gz JAZFQJMOMYJNCL-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)[nH]1 ZINC001024165626 1180933713 /nfs/dbraw/zinc/93/37/13/1180933713.db2.gz TXQSJYRAMJNFSY-RBSFLKMASA-N 2 2 357.462 0.979 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001024165537 1180934487 /nfs/dbraw/zinc/93/44/87/1180934487.db2.gz QWQLKRVDWCZOIH-FVQBIDKESA-N 2 2 357.462 0.681 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492029 1181239632 /nfs/dbraw/zinc/23/96/32/1181239632.db2.gz AIJOSSFQEVDFSY-IXDOHACOSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492029 1181239635 /nfs/dbraw/zinc/23/96/35/1181239635.db2.gz AIJOSSFQEVDFSY-IXDOHACOSA-N 2 2 371.441 0.349 20 0 FCADLP Cc1ncc(C[NH+]2CCCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001024505501 1181259394 /nfs/dbraw/zinc/25/93/94/1181259394.db2.gz FEDFLJKQGGULRO-FHLIZLRMSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024505501 1181259396 /nfs/dbraw/zinc/25/93/96/1181259396.db2.gz FEDFLJKQGGULRO-FHLIZLRMSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024505501 1181259402 /nfs/dbraw/zinc/25/94/02/1181259402.db2.gz FEDFLJKQGGULRO-FHLIZLRMSA-N 2 2 361.490 0.975 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCCC2)O1 ZINC001024507508 1181262877 /nfs/dbraw/zinc/26/28/77/1181262877.db2.gz VMJZVFGWHSXWEM-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N2CCCC2)O1 ZINC001024507508 1181262883 /nfs/dbraw/zinc/26/28/83/1181262883.db2.gz VMJZVFGWHSXWEM-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)O1 ZINC001024507508 1181262893 /nfs/dbraw/zinc/26/28/93/1181262893.db2.gz VMJZVFGWHSXWEM-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N2CCCC2)O1 ZINC001024507508 1181262901 /nfs/dbraw/zinc/26/29/01/1181262901.db2.gz VMJZVFGWHSXWEM-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111939736 1181545848 /nfs/dbraw/zinc/54/58/48/1181545848.db2.gz PKYBISPLNYSEGZ-YEWWUXTCSA-N 2 2 365.478 0.988 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111939736 1181545858 /nfs/dbraw/zinc/54/58/58/1181545858.db2.gz PKYBISPLNYSEGZ-YEWWUXTCSA-N 2 2 365.478 0.988 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083275588 1181852634 /nfs/dbraw/zinc/85/26/34/1181852634.db2.gz MIRUKWCIPHKXFO-ZWKOTPCHSA-N 2 2 371.441 0.730 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083275588 1181852637 /nfs/dbraw/zinc/85/26/37/1181852637.db2.gz MIRUKWCIPHKXFO-ZWKOTPCHSA-N 2 2 371.441 0.730 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000973310930 1182223071 /nfs/dbraw/zinc/22/30/71/1182223071.db2.gz GRYNLRHHXZFTFK-HHARLNAUSA-N 2 2 371.485 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC[N@@H+]1C ZINC000973330046 1182240006 /nfs/dbraw/zinc/24/00/06/1182240006.db2.gz BNPOOJYEJCZQFD-DRXUAVOGSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC[N@H+]1C ZINC000973330046 1182240013 /nfs/dbraw/zinc/24/00/13/1182240013.db2.gz BNPOOJYEJCZQFD-DRXUAVOGSA-N 2 2 359.474 0.549 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000973432466 1182304129 /nfs/dbraw/zinc/30/41/29/1182304129.db2.gz BXXRFVXJTSCMTD-QCODTGAPSA-N 2 2 359.474 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000973432466 1182304132 /nfs/dbraw/zinc/30/41/32/1182304132.db2.gz BXXRFVXJTSCMTD-QCODTGAPSA-N 2 2 359.474 0.771 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280971 1182354701 /nfs/dbraw/zinc/35/47/01/1182354701.db2.gz OPEFCGFFWFSUPE-IPMKNSEASA-N 2 2 359.470 0.819 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280971 1182354703 /nfs/dbraw/zinc/35/47/03/1182354703.db2.gz OPEFCGFFWFSUPE-IPMKNSEASA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280971 1182354706 /nfs/dbraw/zinc/35/47/06/1182354706.db2.gz OPEFCGFFWFSUPE-IPMKNSEASA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280971 1182354708 /nfs/dbraw/zinc/35/47/08/1182354708.db2.gz OPEFCGFFWFSUPE-IPMKNSEASA-N 2 2 359.470 0.819 20 0 FCADLP CNc1nc(N2CC[C@H](C[NH+](C)C)C2)[nH+]c(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000549176459 1182526948 /nfs/dbraw/zinc/52/69/48/1182526948.db2.gz NNCBLVZACTWCBY-HUUCEWRRSA-N 3 2 362.526 0.111 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001025687365 1182705028 /nfs/dbraw/zinc/70/50/28/1182705028.db2.gz RKEDPWOHJRRSHJ-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001025687365 1182705037 /nfs/dbraw/zinc/70/50/37/1182705037.db2.gz RKEDPWOHJRRSHJ-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001025687366 1182705620 /nfs/dbraw/zinc/70/56/20/1182705620.db2.gz RKEDPWOHJRRSHJ-JCURWCKSSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001025687366 1182705627 /nfs/dbraw/zinc/70/56/27/1182705627.db2.gz RKEDPWOHJRRSHJ-JCURWCKSSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025789551 1182839511 /nfs/dbraw/zinc/83/95/11/1182839511.db2.gz KUVMFEZVRFLHKT-UDOHHAEJSA-N 2 2 369.469 0.089 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025789551 1182839512 /nfs/dbraw/zinc/83/95/12/1182839512.db2.gz KUVMFEZVRFLHKT-UDOHHAEJSA-N 2 2 369.469 0.089 20 0 FCADLP CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919129 1182868562 /nfs/dbraw/zinc/86/85/62/1182868562.db2.gz NZMJIEOITANGFY-UDFCFZJOSA-N 2 2 365.518 0.959 20 0 FCADLP CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919129 1182868565 /nfs/dbraw/zinc/86/85/65/1182868565.db2.gz NZMJIEOITANGFY-UDFCFZJOSA-N 2 2 365.518 0.959 20 0 FCADLP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(N)=O ZINC001104902220 1182988649 /nfs/dbraw/zinc/98/86/49/1182988649.db2.gz KYLZZMDHMONROG-RBSFLKMASA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC1CC1 ZINC001104908753 1182991406 /nfs/dbraw/zinc/99/14/06/1182991406.db2.gz JLEIFGOIBCQCIR-RBSFLKMASA-N 2 2 361.490 0.704 20 0 FCADLP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104911120 1182992696 /nfs/dbraw/zinc/99/26/96/1182992696.db2.gz YIOSIUMCFYIQNY-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001104954431 1183018685 /nfs/dbraw/zinc/01/86/85/1183018685.db2.gz AWZSUOWYMPDRQN-UKRRQHHQSA-N 2 2 362.478 0.360 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104967204 1183026468 /nfs/dbraw/zinc/02/64/68/1183026468.db2.gz NBFYWOPBOBILIS-HZPDHXFCSA-N 2 2 359.478 0.719 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC[N@@H+]1C ZINC000974185162 1183037862 /nfs/dbraw/zinc/03/78/62/1183037862.db2.gz FRGSVMUZVNKQLN-LBKYZSNHSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC[N@H+]1C ZINC000974185162 1183037870 /nfs/dbraw/zinc/03/78/70/1183037870.db2.gz FRGSVMUZVNKQLN-LBKYZSNHSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC[N@@H+]1C ZINC000974185230 1183037973 /nfs/dbraw/zinc/03/79/73/1183037973.db2.gz IAFBIETVCNADSE-DGADGQDISA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC[N@H+]1C ZINC000974185230 1183037980 /nfs/dbraw/zinc/03/79/80/1183037980.db2.gz IAFBIETVCNADSE-DGADGQDISA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1 ZINC001105016912 1183070120 /nfs/dbraw/zinc/07/01/20/1183070120.db2.gz GJLMMGIAJVDFNX-OWCLPIDISA-N 2 2 365.478 0.612 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)Nc1cnccn1 ZINC001105101767 1183122298 /nfs/dbraw/zinc/12/22/98/1183122298.db2.gz BGODXUSDJRTXNB-HUUCEWRRSA-N 2 2 371.445 0.386 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CN1CC[NH+]1CCOCC1 ZINC000893354316 1183204468 /nfs/dbraw/zinc/20/44/68/1183204468.db2.gz INWTUXKHNOCIBW-ARFHVFGLSA-N 2 2 371.453 0.143 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC000974572667 1183352984 /nfs/dbraw/zinc/35/29/84/1183352984.db2.gz YHXNDDIPDMSBJB-SZVBFZGTSA-N 2 2 371.485 0.886 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974585352 1183365278 /nfs/dbraw/zinc/36/52/78/1183365278.db2.gz XLIBZGXPUGLMNA-NVXWUHKLSA-N 2 2 371.485 0.508 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000974695734 1183456782 /nfs/dbraw/zinc/45/67/82/1183456782.db2.gz ZIKHVHIBAGQQBA-RHSMWYFYSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000974695734 1183456788 /nfs/dbraw/zinc/45/67/88/1183456788.db2.gz ZIKHVHIBAGQQBA-RHSMWYFYSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722271 1183497897 /nfs/dbraw/zinc/49/78/97/1183497897.db2.gz DWYWBAOTGQMZSM-XYPHTWIQSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722271 1183497906 /nfs/dbraw/zinc/49/79/06/1183497906.db2.gz DWYWBAOTGQMZSM-XYPHTWIQSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722271 1183497916 /nfs/dbraw/zinc/49/79/16/1183497916.db2.gz DWYWBAOTGQMZSM-XYPHTWIQSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722271 1183497926 /nfs/dbraw/zinc/49/79/26/1183497926.db2.gz DWYWBAOTGQMZSM-XYPHTWIQSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723345 1183500153 /nfs/dbraw/zinc/50/01/53/1183500153.db2.gz ISAVGTVQSCRUMX-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723345 1183500158 /nfs/dbraw/zinc/50/01/58/1183500158.db2.gz ISAVGTVQSCRUMX-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723345 1183500164 /nfs/dbraw/zinc/50/01/64/1183500164.db2.gz ISAVGTVQSCRUMX-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723345 1183500171 /nfs/dbraw/zinc/50/01/71/1183500171.db2.gz ISAVGTVQSCRUMX-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726752 1183505372 /nfs/dbraw/zinc/50/53/72/1183505372.db2.gz WHFOQGVFPVYSQN-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726752 1183505377 /nfs/dbraw/zinc/50/53/77/1183505377.db2.gz WHFOQGVFPVYSQN-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726752 1183505388 /nfs/dbraw/zinc/50/53/88/1183505388.db2.gz WHFOQGVFPVYSQN-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726752 1183505395 /nfs/dbraw/zinc/50/53/95/1183505395.db2.gz WHFOQGVFPVYSQN-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC2(C)C)O1 ZINC000974752051 1183518513 /nfs/dbraw/zinc/51/85/13/1183518513.db2.gz KEOOKSLSBIIBRB-FVQBIDKESA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)CC2(C)C)O1 ZINC000974752051 1183518523 /nfs/dbraw/zinc/51/85/23/1183518523.db2.gz KEOOKSLSBIIBRB-FVQBIDKESA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC2(C)C)O1 ZINC000974752051 1183518528 /nfs/dbraw/zinc/51/85/28/1183518528.db2.gz KEOOKSLSBIIBRB-FVQBIDKESA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC2(C)C)O1 ZINC000974752051 1183518538 /nfs/dbraw/zinc/51/85/38/1183518538.db2.gz KEOOKSLSBIIBRB-FVQBIDKESA-N 2 2 366.506 0.153 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000975046373 1183682687 /nfs/dbraw/zinc/68/26/87/1183682687.db2.gz KEUGGOBDQKDIDF-IIAWOOMASA-N 2 2 357.462 0.642 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000975046373 1183682691 /nfs/dbraw/zinc/68/26/91/1183682691.db2.gz KEUGGOBDQKDIDF-IIAWOOMASA-N 2 2 357.462 0.642 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000975206829 1183770387 /nfs/dbraw/zinc/77/03/87/1183770387.db2.gz MKFTUABFMRKALT-ZMSDIMECSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000975206829 1183770389 /nfs/dbraw/zinc/77/03/89/1183770389.db2.gz MKFTUABFMRKALT-ZMSDIMECSA-N 2 2 359.474 0.886 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)C1 ZINC000975210878 1183773710 /nfs/dbraw/zinc/77/37/10/1183773710.db2.gz QBVUQUCZESSUHT-HZPDHXFCSA-N 2 2 359.474 0.674 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)C1 ZINC000975210878 1183773712 /nfs/dbraw/zinc/77/37/12/1183773712.db2.gz QBVUQUCZESSUHT-HZPDHXFCSA-N 2 2 359.474 0.674 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC000975424527 1183866052 /nfs/dbraw/zinc/86/60/52/1183866052.db2.gz LPMPDERGBLLCEE-NVXWUHKLSA-N 2 2 371.485 0.888 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975620829 1183984949 /nfs/dbraw/zinc/98/49/49/1183984949.db2.gz RNWLDSOIILMSMK-XHSDSOJGSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975620829 1183984962 /nfs/dbraw/zinc/98/49/62/1183984962.db2.gz RNWLDSOIILMSMK-XHSDSOJGSA-N 2 2 359.474 0.886 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1)C1CC1 ZINC000975759176 1185726665 /nfs/dbraw/zinc/72/66/65/1185726665.db2.gz PTMLMEXZEGBASM-ZVZYQTTQSA-N 2 2 359.474 0.673 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000975811505 1185806541 /nfs/dbraw/zinc/80/65/41/1185806541.db2.gz UNDNSBDMSQUEBJ-HOTGVXAUSA-N 2 2 356.430 0.538 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975820540 1185817968 /nfs/dbraw/zinc/81/79/68/1185817968.db2.gz FYACSDQCVLTOGA-RDJZCZTQSA-N 2 2 371.485 0.888 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975820540 1185817969 /nfs/dbraw/zinc/81/79/69/1185817969.db2.gz FYACSDQCVLTOGA-RDJZCZTQSA-N 2 2 371.485 0.888 20 0 FCADLP O=C(NC[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000978960079 1186035566 /nfs/dbraw/zinc/03/55/66/1186035566.db2.gz MPEVGNZMYMIOKW-GWZLXJJCSA-N 2 2 371.485 0.866 20 0 FCADLP O=C(NC[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000978960079 1186035573 /nfs/dbraw/zinc/03/55/73/1186035573.db2.gz MPEVGNZMYMIOKW-GWZLXJJCSA-N 2 2 371.485 0.866 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000978982092 1186042972 /nfs/dbraw/zinc/04/29/72/1186042972.db2.gz QFJKVCGXHNARAU-SLBVQIDZSA-N 2 2 359.474 0.866 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000978982092 1186042978 /nfs/dbraw/zinc/04/29/78/1186042978.db2.gz QFJKVCGXHNARAU-SLBVQIDZSA-N 2 2 359.474 0.866 20 0 FCADLP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001027966771 1186242390 /nfs/dbraw/zinc/24/23/90/1186242390.db2.gz UWWRIAMZDHKBAI-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001027966771 1186242396 /nfs/dbraw/zinc/24/23/96/1186242396.db2.gz UWWRIAMZDHKBAI-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001027966771 1186242402 /nfs/dbraw/zinc/24/24/02/1186242402.db2.gz UWWRIAMZDHKBAI-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001027966771 1186242407 /nfs/dbraw/zinc/24/24/07/1186242407.db2.gz UWWRIAMZDHKBAI-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)n1 ZINC000981992818 1186612933 /nfs/dbraw/zinc/61/29/33/1186612933.db2.gz JWMZISRRRZGRJV-IAGOWNOFSA-N 2 2 371.489 0.966 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)n1 ZINC000981992818 1186612937 /nfs/dbraw/zinc/61/29/37/1186612937.db2.gz JWMZISRRRZGRJV-IAGOWNOFSA-N 2 2 371.489 0.966 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237827 1186651547 /nfs/dbraw/zinc/65/15/47/1186651547.db2.gz WNOJSCTTWJTXHO-RBSFLKMASA-N 2 2 362.478 0.534 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268237827 1186651549 /nfs/dbraw/zinc/65/15/49/1186651549.db2.gz WNOJSCTTWJTXHO-RBSFLKMASA-N 2 2 362.478 0.534 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268237827 1186651551 /nfs/dbraw/zinc/65/15/51/1186651551.db2.gz WNOJSCTTWJTXHO-RBSFLKMASA-N 2 2 362.478 0.534 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268237827 1186651553 /nfs/dbraw/zinc/65/15/53/1186651553.db2.gz WNOJSCTTWJTXHO-RBSFLKMASA-N 2 2 362.478 0.534 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001028552135 1187605013 /nfs/dbraw/zinc/60/50/13/1187605013.db2.gz HPTKKSBQKDKYPM-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001028552135 1187605015 /nfs/dbraw/zinc/60/50/15/1187605015.db2.gz HPTKKSBQKDKYPM-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028552135 1187605017 /nfs/dbraw/zinc/60/50/17/1187605017.db2.gz HPTKKSBQKDKYPM-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028552135 1187605020 /nfs/dbraw/zinc/60/50/20/1187605020.db2.gz HPTKKSBQKDKYPM-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385757 1187713083 /nfs/dbraw/zinc/71/30/83/1187713083.db2.gz YBZZROLWZNQUSV-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385757 1187713085 /nfs/dbraw/zinc/71/30/85/1187713085.db2.gz YBZZROLWZNQUSV-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385757 1187713087 /nfs/dbraw/zinc/71/30/87/1187713087.db2.gz YBZZROLWZNQUSV-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385757 1187713089 /nfs/dbraw/zinc/71/30/89/1187713089.db2.gz YBZZROLWZNQUSV-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629806 1187759239 /nfs/dbraw/zinc/75/92/39/1187759239.db2.gz SWEPLJXBNJICIN-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629806 1187759242 /nfs/dbraw/zinc/75/92/42/1187759242.db2.gz SWEPLJXBNJICIN-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629806 1187759245 /nfs/dbraw/zinc/75/92/45/1187759245.db2.gz SWEPLJXBNJICIN-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629806 1187759248 /nfs/dbraw/zinc/75/92/48/1187759248.db2.gz SWEPLJXBNJICIN-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP O=C(NC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983014886 1187815879 /nfs/dbraw/zinc/81/58/79/1187815879.db2.gz NFCWXTIGIHPOJE-RRFJBIMHSA-N 2 2 357.458 0.574 20 0 FCADLP O=C(NC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983014886 1187815880 /nfs/dbraw/zinc/81/58/80/1187815880.db2.gz NFCWXTIGIHPOJE-RRFJBIMHSA-N 2 2 357.458 0.574 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000983018055 1187816308 /nfs/dbraw/zinc/81/63/08/1187816308.db2.gz IDYPAMBQSCMTCC-HYVNUMGLSA-N 2 2 361.490 0.658 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000983018055 1187816309 /nfs/dbraw/zinc/81/63/09/1187816309.db2.gz IDYPAMBQSCMTCC-HYVNUMGLSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC000983102928 1187833268 /nfs/dbraw/zinc/83/32/68/1187833268.db2.gz KPULMPFBXXRZQJ-BZUAXINKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC000983102928 1187833272 /nfs/dbraw/zinc/83/32/72/1187833272.db2.gz KPULMPFBXXRZQJ-BZUAXINKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC[N@@H+]1C ZINC001059095275 1187837776 /nfs/dbraw/zinc/83/77/76/1187837776.db2.gz BZDUGXINQRNEFY-QLFBSQMISA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC[N@H+]1C ZINC001059095275 1187837779 /nfs/dbraw/zinc/83/77/79/1187837779.db2.gz BZDUGXINQRNEFY-QLFBSQMISA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3ncnc4c3C[N@H+](C)CC4)C2)CC[NH+]1C ZINC001059095275 1187837780 /nfs/dbraw/zinc/83/77/80/1187837780.db2.gz BZDUGXINQRNEFY-QLFBSQMISA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3ncnc4c3C[N@@H+](C)CC4)C2)CC[NH+]1C ZINC001059095275 1187837781 /nfs/dbraw/zinc/83/77/81/1187837781.db2.gz BZDUGXINQRNEFY-QLFBSQMISA-N 2 2 358.490 0.818 20 0 FCADLP C=CC(=O)N1C[C@@H](C(=O)N(C)CC[NH+](CC)CC)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269851964 1187898263 /nfs/dbraw/zinc/89/82/63/1187898263.db2.gz RKIBHXZECSFHDK-HZPDHXFCSA-N 2 2 361.490 0.948 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001270155612 1188033529 /nfs/dbraw/zinc/03/35/29/1188033529.db2.gz PSJJVQHRPRQTSC-HOTGVXAUSA-N 2 2 359.474 0.722 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1=O ZINC001270329130 1188096616 /nfs/dbraw/zinc/09/66/16/1188096616.db2.gz MBHLWGKWAKSCLU-AUUYWEPGSA-N 2 2 359.474 0.985 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001270334339 1188099002 /nfs/dbraw/zinc/09/90/02/1188099002.db2.gz HVXJRVPDQLRZCU-GOSISDBHSA-N 2 2 361.446 0.272 20 0 FCADLP C[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)C1 ZINC001270332350 1188099933 /nfs/dbraw/zinc/09/99/33/1188099933.db2.gz IKLGLXWXCCOPMT-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)C1 ZINC001270332350 1188099938 /nfs/dbraw/zinc/09/99/38/1188099938.db2.gz IKLGLXWXCCOPMT-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O)[NH+]1CCCC1 ZINC001270488177 1188169513 /nfs/dbraw/zinc/16/95/13/1188169513.db2.gz AJEXQTXTZNADGN-APWZRJJASA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC[N@@H+]1C ZINC001299175717 1188396597 /nfs/dbraw/zinc/39/65/97/1188396597.db2.gz WGZWYGOPXXDQOP-QLFBSQMISA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC[N@H+]1C ZINC001299175717 1188396603 /nfs/dbraw/zinc/39/66/03/1188396603.db2.gz WGZWYGOPXXDQOP-QLFBSQMISA-N 2 2 359.474 0.551 20 0 FCADLP C[NH2+][C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000515300611 1188407455 /nfs/dbraw/zinc/40/74/55/1188407455.db2.gz MFUKVHZSIGYEKQ-SFHVURJKSA-N 3 2 370.501 0.790 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCN1CCNC1=O ZINC001087610474 1189660486 /nfs/dbraw/zinc/66/04/86/1189660486.db2.gz LEIVAKYWGTWJMC-HGTKMLMNSA-N 2 2 360.462 0.508 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCN1CCNC1=O ZINC001087610474 1189660490 /nfs/dbraw/zinc/66/04/90/1189660490.db2.gz LEIVAKYWGTWJMC-HGTKMLMNSA-N 2 2 360.462 0.508 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001271144224 1189815853 /nfs/dbraw/zinc/81/58/53/1189815853.db2.gz WZLBSPFEVKCHFA-VQIMIIECSA-N 2 2 359.474 0.998 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001271144224 1189815854 /nfs/dbraw/zinc/81/58/54/1189815854.db2.gz WZLBSPFEVKCHFA-VQIMIIECSA-N 2 2 359.474 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001087797739 1189828813 /nfs/dbraw/zinc/82/88/13/1189828813.db2.gz GJJRJGOCTVXHGB-VNQPRFMTSA-N 2 2 357.462 0.711 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@H]1CCc2ncnn21 ZINC001087797739 1189828816 /nfs/dbraw/zinc/82/88/16/1189828816.db2.gz GJJRJGOCTVXHGB-VNQPRFMTSA-N 2 2 357.462 0.711 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001087829750 1189842818 /nfs/dbraw/zinc/84/28/18/1189842818.db2.gz UEIAZGRMIZAVPS-DLBZAZTESA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087829750 1189842820 /nfs/dbraw/zinc/84/28/20/1189842820.db2.gz UEIAZGRMIZAVPS-DLBZAZTESA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087835171 1189844584 /nfs/dbraw/zinc/84/45/84/1189844584.db2.gz NOSSSQXSRFTODY-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087835171 1189844585 /nfs/dbraw/zinc/84/45/85/1189844585.db2.gz NOSSSQXSRFTODY-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087835171 1189844587 /nfs/dbraw/zinc/84/45/87/1189844587.db2.gz NOSSSQXSRFTODY-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087835171 1189844589 /nfs/dbraw/zinc/84/45/89/1189844589.db2.gz NOSSSQXSRFTODY-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cnnn1CC ZINC001087837089 1189846015 /nfs/dbraw/zinc/84/60/15/1189846015.db2.gz SXWRPRJMZLATFM-BBWFWOEESA-N 2 2 364.494 0.488 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cnnn1CC ZINC001087837089 1189846016 /nfs/dbraw/zinc/84/60/16/1189846016.db2.gz SXWRPRJMZLATFM-BBWFWOEESA-N 2 2 364.494 0.488 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cnnn1CC ZINC001087837089 1189846018 /nfs/dbraw/zinc/84/60/18/1189846018.db2.gz SXWRPRJMZLATFM-BBWFWOEESA-N 2 2 364.494 0.488 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cnnn1CC ZINC001087837089 1189846020 /nfs/dbraw/zinc/84/60/20/1189846020.db2.gz SXWRPRJMZLATFM-BBWFWOEESA-N 2 2 364.494 0.488 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908369 1189893805 /nfs/dbraw/zinc/89/38/05/1189893805.db2.gz ACQFDUOOCQEGNM-ILXRZTDVSA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908369 1189893807 /nfs/dbraw/zinc/89/38/07/1189893807.db2.gz ACQFDUOOCQEGNM-ILXRZTDVSA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908369 1189893808 /nfs/dbraw/zinc/89/38/08/1189893808.db2.gz ACQFDUOOCQEGNM-ILXRZTDVSA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908369 1189893814 /nfs/dbraw/zinc/89/38/14/1189893814.db2.gz ACQFDUOOCQEGNM-ILXRZTDVSA-N 2 2 362.478 0.510 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908818 1189894417 /nfs/dbraw/zinc/89/44/17/1189894417.db2.gz OJDPECXAIYQPKR-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908818 1189894420 /nfs/dbraw/zinc/89/44/20/1189894420.db2.gz OJDPECXAIYQPKR-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908818 1189894421 /nfs/dbraw/zinc/89/44/21/1189894421.db2.gz OJDPECXAIYQPKR-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908818 1189894426 /nfs/dbraw/zinc/89/44/26/1189894426.db2.gz OJDPECXAIYQPKR-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920142 1189904105 /nfs/dbraw/zinc/90/41/05/1189904105.db2.gz GCPJUWAELFSDDB-RYRKJORJSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920142 1189904108 /nfs/dbraw/zinc/90/41/08/1189904108.db2.gz GCPJUWAELFSDDB-RYRKJORJSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920142 1189904114 /nfs/dbraw/zinc/90/41/14/1189904114.db2.gz GCPJUWAELFSDDB-RYRKJORJSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920142 1189904119 /nfs/dbraw/zinc/90/41/19/1189904119.db2.gz GCPJUWAELFSDDB-RYRKJORJSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920428 1189905022 /nfs/dbraw/zinc/90/50/22/1189905022.db2.gz ONVUFQOXJPFGIA-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920428 1189905030 /nfs/dbraw/zinc/90/50/30/1189905030.db2.gz ONVUFQOXJPFGIA-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920428 1189905034 /nfs/dbraw/zinc/90/50/34/1189905034.db2.gz ONVUFQOXJPFGIA-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920428 1189905037 /nfs/dbraw/zinc/90/50/37/1189905037.db2.gz ONVUFQOXJPFGIA-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920674 1189906903 /nfs/dbraw/zinc/90/69/03/1189906903.db2.gz XHRQWMFXFYAQHH-YCPHGPKFSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920674 1189906913 /nfs/dbraw/zinc/90/69/13/1189906913.db2.gz XHRQWMFXFYAQHH-YCPHGPKFSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920674 1189906929 /nfs/dbraw/zinc/90/69/29/1189906929.db2.gz XHRQWMFXFYAQHH-YCPHGPKFSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920674 1189906934 /nfs/dbraw/zinc/90/69/34/1189906934.db2.gz XHRQWMFXFYAQHH-YCPHGPKFSA-N 2 2 364.446 0.294 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000896004851 1189909966 /nfs/dbraw/zinc/90/99/66/1189909966.db2.gz QRFQCQJNPNHTGN-UHFFFAOYSA-N 3 2 364.534 0.772 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896236591 1190018559 /nfs/dbraw/zinc/01/85/59/1190018559.db2.gz JGIKFRODPAREBF-UHFFFAOYSA-N 2 2 362.478 0.483 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087974225 1190040364 /nfs/dbraw/zinc/04/03/64/1190040364.db2.gz NRVIOTVLKPSXAE-VYDXJSESSA-N 2 2 371.485 0.431 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087974225 1190040372 /nfs/dbraw/zinc/04/03/72/1190040372.db2.gz NRVIOTVLKPSXAE-VYDXJSESSA-N 2 2 371.485 0.431 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563294 1190093424 /nfs/dbraw/zinc/09/34/24/1190093424.db2.gz JWMYYJNVTYOICT-FFZOFVMBSA-N 2 2 374.529 0.935 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563294 1190093427 /nfs/dbraw/zinc/09/34/27/1190093427.db2.gz JWMYYJNVTYOICT-FFZOFVMBSA-N 2 2 374.529 0.935 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992848 1190144278 /nfs/dbraw/zinc/14/42/78/1190144278.db2.gz PHVRBDJYCMZHOY-KFWWJZLASA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992848 1190144279 /nfs/dbraw/zinc/14/42/79/1190144279.db2.gz PHVRBDJYCMZHOY-KFWWJZLASA-N 2 2 361.494 0.536 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999570 1190170538 /nfs/dbraw/zinc/17/05/38/1190170538.db2.gz RNQLELNOROIDQR-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999570 1190170540 /nfs/dbraw/zinc/17/05/40/1190170540.db2.gz RNQLELNOROIDQR-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999570 1190170541 /nfs/dbraw/zinc/17/05/41/1190170541.db2.gz RNQLELNOROIDQR-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999570 1190170543 /nfs/dbraw/zinc/17/05/43/1190170543.db2.gz RNQLELNOROIDQR-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)CCF)C[C@H]2C(=O)NC2CC[NH+](C)CC2)c1 ZINC001271202347 1190355856 /nfs/dbraw/zinc/35/58/56/1190355856.db2.gz GQSWAFAVAGXLSF-HUUCEWRRSA-N 2 2 365.453 0.532 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081787 1190467447 /nfs/dbraw/zinc/46/74/47/1190467447.db2.gz FGCOJRUJUSLLDA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081787 1190467448 /nfs/dbraw/zinc/46/74/48/1190467448.db2.gz FGCOJRUJUSLLDA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081787 1190467450 /nfs/dbraw/zinc/46/74/50/1190467450.db2.gz FGCOJRUJUSLLDA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081787 1190467451 /nfs/dbraw/zinc/46/74/51/1190467451.db2.gz FGCOJRUJUSLLDA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000985066347 1190497978 /nfs/dbraw/zinc/49/79/78/1190497978.db2.gz REZGPCMKYPABRA-BBWFWOEESA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000985066347 1190497984 /nfs/dbraw/zinc/49/79/84/1190497984.db2.gz REZGPCMKYPABRA-BBWFWOEESA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000985067347 1190499028 /nfs/dbraw/zinc/49/90/28/1190499028.db2.gz NHTGEIFYZXBKNA-YESZJQIVSA-N 2 2 359.474 0.721 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109559 1190600658 /nfs/dbraw/zinc/60/06/58/1190600658.db2.gz LLQMMAZMSDANOB-PMPSAXMXSA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109559 1190600666 /nfs/dbraw/zinc/60/06/66/1190600666.db2.gz LLQMMAZMSDANOB-PMPSAXMXSA-N 2 2 363.510 0.704 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121782 1190618346 /nfs/dbraw/zinc/61/83/46/1190618346.db2.gz XYKVKLFLCJYVLP-YCPHGPKFSA-N 2 2 355.446 0.512 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121782 1190618354 /nfs/dbraw/zinc/61/83/54/1190618354.db2.gz XYKVKLFLCJYVLP-YCPHGPKFSA-N 2 2 355.446 0.512 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088129335 1190627227 /nfs/dbraw/zinc/62/72/27/1190627227.db2.gz ILCKAWLGUSSTTI-CVEARBPZSA-N 2 2 361.494 0.222 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088129335 1190627233 /nfs/dbraw/zinc/62/72/33/1190627233.db2.gz ILCKAWLGUSSTTI-CVEARBPZSA-N 2 2 361.494 0.222 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC000985164416 1190660769 /nfs/dbraw/zinc/66/07/69/1190660769.db2.gz PEGFZLSFJLDNTD-BHYGNILZSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC000985164416 1190660774 /nfs/dbraw/zinc/66/07/74/1190660774.db2.gz PEGFZLSFJLDNTD-BHYGNILZSA-N 2 2 361.490 0.943 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnnn2C)C1 ZINC001029846974 1190745859 /nfs/dbraw/zinc/74/58/59/1190745859.db2.gz NIAMEDCCHZULEG-NUEKZKHPSA-N 2 2 357.462 0.633 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnnn2C)C1 ZINC001029846974 1190745862 /nfs/dbraw/zinc/74/58/62/1190745862.db2.gz NIAMEDCCHZULEG-NUEKZKHPSA-N 2 2 357.462 0.633 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986019788 1190867509 /nfs/dbraw/zinc/86/75/09/1190867509.db2.gz HGUCTQOLLFUREC-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986019788 1190867511 /nfs/dbraw/zinc/86/75/11/1190867511.db2.gz HGUCTQOLLFUREC-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276756965 1224113789 /nfs/dbraw/zinc/11/37/89/1224113789.db2.gz KHRQAPSGVHHMIH-KXBFYZLASA-N 2 2 367.490 0.441 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276756965 1224113791 /nfs/dbraw/zinc/11/37/91/1224113791.db2.gz KHRQAPSGVHHMIH-KXBFYZLASA-N 2 2 367.490 0.441 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986339591 1190960244 /nfs/dbraw/zinc/96/02/44/1190960244.db2.gz QLOVQCIVFJQPHW-WCXIOVBPSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)CC[N@H+]1C ZINC000986339591 1190960246 /nfs/dbraw/zinc/96/02/46/1190960246.db2.gz QLOVQCIVFJQPHW-WCXIOVBPSA-N 2 2 359.474 0.530 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)cc2)CC1 ZINC000262805058 1190961742 /nfs/dbraw/zinc/96/17/42/1190961742.db2.gz RVXXARRBXHRYPS-UHFFFAOYSA-N 2 2 368.441 0.695 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(COC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758169 1224120060 /nfs/dbraw/zinc/12/00/60/1224120060.db2.gz VEJPGWFTHXMDII-LJQANCHMSA-N 2 2 367.490 0.931 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(COC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758169 1224120062 /nfs/dbraw/zinc/12/00/62/1224120062.db2.gz VEJPGWFTHXMDII-LJQANCHMSA-N 2 2 367.490 0.931 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986424067 1190986683 /nfs/dbraw/zinc/98/66/83/1190986683.db2.gz HGNMBRASMDKZQO-CVEARBPZSA-N 2 2 371.485 0.663 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986441263 1190989205 /nfs/dbraw/zinc/98/92/05/1190989205.db2.gz JZGCZZWVXRXOPP-ZJPYXAASSA-N 2 2 373.501 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)CC[N@H+]1C ZINC000986441263 1190989209 /nfs/dbraw/zinc/98/92/09/1190989209.db2.gz JZGCZZWVXRXOPP-ZJPYXAASSA-N 2 2 373.501 0.920 20 0 FCADLP COc1ccc(Cc2nnc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)o2)cc1 ZINC001217693586 1224122062 /nfs/dbraw/zinc/12/20/62/1224122062.db2.gz MZBBYJQLJQTSMK-AWEZNQCLSA-N 2 2 356.386 0.578 20 0 FCADLP C[NH+]1CCC([C@H]2OCC[C@@H]2C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456207054 1191054944 /nfs/dbraw/zinc/05/49/44/1191054944.db2.gz RQXRHXJDXRRLKT-XWTMOSNGSA-N 2 2 351.491 0.713 20 0 FCADLP C[NH+]1CCC([C@H]2OCC[C@@H]2C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456207054 1191054947 /nfs/dbraw/zinc/05/49/47/1191054947.db2.gz RQXRHXJDXRRLKT-XWTMOSNGSA-N 2 2 351.491 0.713 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986764524 1191094854 /nfs/dbraw/zinc/09/48/54/1191094854.db2.gz HFJMLIGNZUKJNT-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986764524 1191094856 /nfs/dbraw/zinc/09/48/56/1191094856.db2.gz HFJMLIGNZUKJNT-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001276762428 1224128356 /nfs/dbraw/zinc/12/83/56/1224128356.db2.gz KZXZECXQERTGRL-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001276762428 1224128359 /nfs/dbraw/zinc/12/83/59/1224128359.db2.gz KZXZECXQERTGRL-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP COCCCNC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276762900 1224129078 /nfs/dbraw/zinc/12/90/78/1224129078.db2.gz NIKIQENEDILDNI-MRXNPFEDSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000988111697 1191150721 /nfs/dbraw/zinc/15/07/21/1191150721.db2.gz ZHRIFKLJWLWBFR-FPCVCCKLSA-N 2 2 359.474 0.725 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000988149364 1191153574 /nfs/dbraw/zinc/15/35/74/1191153574.db2.gz VPRNUTJUAVFDSU-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000988149364 1191153577 /nfs/dbraw/zinc/15/35/77/1191153577.db2.gz VPRNUTJUAVFDSU-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)O1 ZINC001218162057 1224144273 /nfs/dbraw/zinc/14/42/73/1224144273.db2.gz MHGFRTVRSFLFOD-BZZMCLGOSA-N 2 2 367.490 0.044 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)O1 ZINC001218162057 1224144275 /nfs/dbraw/zinc/14/42/75/1224144275.db2.gz MHGFRTVRSFLFOD-BZZMCLGOSA-N 2 2 367.490 0.044 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)O1 ZINC001218162057 1224144277 /nfs/dbraw/zinc/14/42/77/1224144277.db2.gz MHGFRTVRSFLFOD-BZZMCLGOSA-N 2 2 367.490 0.044 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)O1 ZINC001218162057 1224144278 /nfs/dbraw/zinc/14/42/78/1224144278.db2.gz MHGFRTVRSFLFOD-BZZMCLGOSA-N 2 2 367.490 0.044 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)cc1 ZINC001218510491 1224164815 /nfs/dbraw/zinc/16/48/15/1224164815.db2.gz MKIDDJKVIBVDEG-INIZCTEOSA-N 2 2 369.425 0.765 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758529 1193761294 /nfs/dbraw/zinc/76/12/94/1193761294.db2.gz VOHDGOLRWLNSBA-DOTOQJQBSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758529 1193761296 /nfs/dbraw/zinc/76/12/96/1193761296.db2.gz VOHDGOLRWLNSBA-DOTOQJQBSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000989996704 1193775772 /nfs/dbraw/zinc/77/57/72/1193775772.db2.gz IJXVMNSMDGLNNY-XHSDSOJGSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000989996704 1193775773 /nfs/dbraw/zinc/77/57/73/1193775773.db2.gz IJXVMNSMDGLNNY-XHSDSOJGSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000990001717 1193778243 /nfs/dbraw/zinc/77/82/43/1193778243.db2.gz LVWZNAHDABEVAO-XHSDSOJGSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000990001717 1193778247 /nfs/dbraw/zinc/77/82/47/1193778247.db2.gz LVWZNAHDABEVAO-XHSDSOJGSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@H]1COCCC12OCCO2 ZINC001168347303 1193801619 /nfs/dbraw/zinc/80/16/19/1193801619.db2.gz GLHKBVSPFFOXFT-HNNXBMFYSA-N 2 2 363.462 0.904 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466044 1193817039 /nfs/dbraw/zinc/81/70/39/1193817039.db2.gz DNAMYSAAKKSGSP-BBWFWOEESA-N 2 2 362.474 0.549 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466044 1193817040 /nfs/dbraw/zinc/81/70/40/1193817040.db2.gz DNAMYSAAKKSGSP-BBWFWOEESA-N 2 2 362.474 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)o1 ZINC001083466201 1193819559 /nfs/dbraw/zinc/81/95/59/1193819559.db2.gz KPBHHAZWPUVQTO-OAGGEKHMSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)o1 ZINC001083466201 1193819560 /nfs/dbraw/zinc/81/95/60/1193819560.db2.gz KPBHHAZWPUVQTO-OAGGEKHMSA-N 2 2 362.474 0.549 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075948809 1193825535 /nfs/dbraw/zinc/82/55/35/1193825535.db2.gz JJYSIHAKDKKZOR-IUIKQTSFSA-N 2 2 367.409 0.514 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075948809 1193825537 /nfs/dbraw/zinc/82/55/37/1193825537.db2.gz JJYSIHAKDKKZOR-IUIKQTSFSA-N 2 2 367.409 0.514 20 0 FCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165817 1193838639 /nfs/dbraw/zinc/83/86/39/1193838639.db2.gz IINQEDGWFONTSU-CVEARBPZSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165817 1193838640 /nfs/dbraw/zinc/83/86/40/1193838640.db2.gz IINQEDGWFONTSU-CVEARBPZSA-N 2 2 361.490 0.942 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105622887 1193841281 /nfs/dbraw/zinc/84/12/81/1193841281.db2.gz JSYUOJJXCXYEGB-OHDICMOHSA-N 2 2 364.490 0.691 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCCO1 ZINC000551638930 1193865986 /nfs/dbraw/zinc/86/59/86/1193865986.db2.gz LPIVZVPFGVUQOV-MRXNPFEDSA-N 2 2 365.478 0.397 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCCO1 ZINC000551638930 1193865987 /nfs/dbraw/zinc/86/59/87/1193865987.db2.gz LPIVZVPFGVUQOV-MRXNPFEDSA-N 2 2 365.478 0.397 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075966251 1193886063 /nfs/dbraw/zinc/88/60/63/1193886063.db2.gz VAJUGDYWMZGSEG-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075966251 1193886065 /nfs/dbraw/zinc/88/60/65/1193886065.db2.gz VAJUGDYWMZGSEG-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083477946 1193926021 /nfs/dbraw/zinc/92/60/21/1193926021.db2.gz MUMXNAKHMWVWOY-SJORKVTESA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083477946 1193926025 /nfs/dbraw/zinc/92/60/25/1193926025.db2.gz MUMXNAKHMWVWOY-SJORKVTESA-N 2 2 362.474 0.492 20 0 FCADLP CN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552864721 1193956645 /nfs/dbraw/zinc/95/66/45/1193956645.db2.gz OCCQDHDLMAYNRY-UHFFFAOYSA-N 2 2 362.474 0.913 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000552946733 1193960678 /nfs/dbraw/zinc/96/06/78/1193960678.db2.gz YBTJFZNVDNBCEL-UHFFFAOYSA-N 2 2 365.478 0.349 20 0 FCADLP CCOC(=O)c1cnn2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)cc12 ZINC001218614435 1224182440 /nfs/dbraw/zinc/18/24/40/1224182440.db2.gz JQGCIOMRONKNRR-AWEZNQCLSA-N 2 2 356.386 0.753 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218650543 1224190147 /nfs/dbraw/zinc/19/01/47/1224190147.db2.gz DLXQQYGDWUJPQF-XYVMCAHJSA-N 2 2 362.474 0.862 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218650543 1224190150 /nfs/dbraw/zinc/19/01/50/1224190150.db2.gz DLXQQYGDWUJPQF-XYVMCAHJSA-N 2 2 362.474 0.862 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCCn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105674422 1194087959 /nfs/dbraw/zinc/08/79/59/1194087959.db2.gz WWQVWIFVSMRKAK-ZAWLATJESA-N 2 2 364.490 0.622 20 0 FCADLP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668311 1224193757 /nfs/dbraw/zinc/19/37/57/1224193757.db2.gz BFGKKSBUBGONAL-KRWDZBQOSA-N 2 2 359.430 0.429 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001142628818 1194144972 /nfs/dbraw/zinc/14/49/72/1194144972.db2.gz MGNUGHIJXNFTMJ-MRXNPFEDSA-N 2 2 355.446 0.740 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001218695752 1224197881 /nfs/dbraw/zinc/19/78/81/1224197881.db2.gz HJPJJYCQMRYLMN-DOMZBBRYSA-N 2 2 361.446 0.290 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029223 1194254252 /nfs/dbraw/zinc/25/42/52/1194254252.db2.gz IMZKJHMMZDOJEZ-XJKSGUPXSA-N 2 2 354.414 0.160 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029223 1194254260 /nfs/dbraw/zinc/25/42/60/1194254260.db2.gz IMZKJHMMZDOJEZ-XJKSGUPXSA-N 2 2 354.414 0.160 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)NC1CC1 ZINC001076046762 1194272710 /nfs/dbraw/zinc/27/27/10/1194272710.db2.gz KYHQFRGWBNLCEM-SUMWQHHRSA-N 2 2 353.426 0.759 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)NC1CC1 ZINC001076046762 1194272715 /nfs/dbraw/zinc/27/27/15/1194272715.db2.gz KYHQFRGWBNLCEM-SUMWQHHRSA-N 2 2 353.426 0.759 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001076174581 1194338846 /nfs/dbraw/zinc/33/88/46/1194338846.db2.gz RMTGPUUKJFZACZ-RCCFBDPRSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001076174581 1194338849 /nfs/dbraw/zinc/33/88/49/1194338849.db2.gz RMTGPUUKJFZACZ-RCCFBDPRSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001076174581 1194338853 /nfs/dbraw/zinc/33/88/53/1194338853.db2.gz RMTGPUUKJFZACZ-RCCFBDPRSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccnn4C)C[C@H]32)C1 ZINC001076174750 1194339015 /nfs/dbraw/zinc/33/90/15/1194339015.db2.gz ZQTMSLIFTNKLSO-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001076174750 1194339017 /nfs/dbraw/zinc/33/90/17/1194339017.db2.gz ZQTMSLIFTNKLSO-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001076174750 1194339018 /nfs/dbraw/zinc/33/90/18/1194339018.db2.gz ZQTMSLIFTNKLSO-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC001076261455 1194378159 /nfs/dbraw/zinc/37/81/59/1194378159.db2.gz KGVLAINSIASQNZ-AAJLLMFJSA-N 2 2 371.485 0.677 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC001076261455 1194378162 /nfs/dbraw/zinc/37/81/62/1194378162.db2.gz KGVLAINSIASQNZ-AAJLLMFJSA-N 2 2 371.485 0.677 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295503 1194387877 /nfs/dbraw/zinc/38/78/77/1194387877.db2.gz NTFQHVCYVLDBHG-JKIFEVAISA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295503 1194387882 /nfs/dbraw/zinc/38/78/82/1194387882.db2.gz NTFQHVCYVLDBHG-JKIFEVAISA-N 2 2 359.474 0.932 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001076365848 1194420578 /nfs/dbraw/zinc/42/05/78/1194420578.db2.gz QANMJSHJEUNYRJ-MAUKXSAKSA-N 2 2 362.449 0.976 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001076365848 1194420583 /nfs/dbraw/zinc/42/05/83/1194420583.db2.gz QANMJSHJEUNYRJ-MAUKXSAKSA-N 2 2 362.449 0.976 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076424756 1194468772 /nfs/dbraw/zinc/46/87/72/1194468772.db2.gz LNMZUSWYOJWNRL-IAOVAPTHSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076424756 1194468776 /nfs/dbraw/zinc/46/87/76/1194468776.db2.gz LNMZUSWYOJWNRL-IAOVAPTHSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469093 1194502819 /nfs/dbraw/zinc/50/28/19/1194502819.db2.gz RKKCJRRQZZAYNH-MAUKXSAKSA-N 2 2 355.486 0.958 20 0 FCADLP O=C(N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469093 1194502828 /nfs/dbraw/zinc/50/28/28/1194502828.db2.gz RKKCJRRQZZAYNH-MAUKXSAKSA-N 2 2 355.486 0.958 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001076517417 1194533444 /nfs/dbraw/zinc/53/34/44/1194533444.db2.gz MFLPEEXIAGLNTK-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001076517417 1194533447 /nfs/dbraw/zinc/53/34/47/1194533447.db2.gz MFLPEEXIAGLNTK-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576458 1194582625 /nfs/dbraw/zinc/58/26/25/1194582625.db2.gz MDBAWCUQPBPPLN-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576458 1194582629 /nfs/dbraw/zinc/58/26/29/1194582629.db2.gz MDBAWCUQPBPPLN-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589455 1194585811 /nfs/dbraw/zinc/58/58/11/1194585811.db2.gz XSUISWCCVKOMIO-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589455 1194585814 /nfs/dbraw/zinc/58/58/14/1194585814.db2.gz XSUISWCCVKOMIO-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589455 1194585819 /nfs/dbraw/zinc/58/58/19/1194585819.db2.gz XSUISWCCVKOMIO-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589455 1194585824 /nfs/dbraw/zinc/58/58/24/1194585824.db2.gz XSUISWCCVKOMIO-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076633578 1194606944 /nfs/dbraw/zinc/60/69/44/1194606944.db2.gz VCXCBAFSJVAJQM-BHYGNILZSA-N 2 2 357.458 0.569 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076633578 1194606945 /nfs/dbraw/zinc/60/69/45/1194606945.db2.gz VCXCBAFSJVAJQM-BHYGNILZSA-N 2 2 357.458 0.569 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805752 1195024875 /nfs/dbraw/zinc/02/48/75/1195024875.db2.gz TVRQWTGAPAYPQS-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805752 1195024880 /nfs/dbraw/zinc/02/48/80/1195024880.db2.gz TVRQWTGAPAYPQS-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805752 1195024885 /nfs/dbraw/zinc/02/48/85/1195024885.db2.gz TVRQWTGAPAYPQS-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805752 1195024890 /nfs/dbraw/zinc/02/48/90/1195024890.db2.gz TVRQWTGAPAYPQS-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001076805463 1195024914 /nfs/dbraw/zinc/02/49/14/1195024914.db2.gz IVOBLVSARPNNTF-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001076805463 1195024918 /nfs/dbraw/zinc/02/49/18/1195024918.db2.gz IVOBLVSARPNNTF-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001076805463 1195024923 /nfs/dbraw/zinc/02/49/23/1195024923.db2.gz IVOBLVSARPNNTF-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001076805463 1195024927 /nfs/dbraw/zinc/02/49/27/1195024927.db2.gz IVOBLVSARPNNTF-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812490 1195034099 /nfs/dbraw/zinc/03/40/99/1195034099.db2.gz JAHIONVKEABFSY-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812490 1195034102 /nfs/dbraw/zinc/03/41/02/1195034102.db2.gz JAHIONVKEABFSY-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812490 1195034107 /nfs/dbraw/zinc/03/41/07/1195034107.db2.gz JAHIONVKEABFSY-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812490 1195034109 /nfs/dbraw/zinc/03/41/09/1195034109.db2.gz JAHIONVKEABFSY-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836971 1195044456 /nfs/dbraw/zinc/04/44/56/1195044456.db2.gz ITYIHWSEFAKZJP-BZUAXINKSA-N 2 2 369.412 0.616 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836971 1195044457 /nfs/dbraw/zinc/04/44/57/1195044457.db2.gz ITYIHWSEFAKZJP-BZUAXINKSA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836971 1195044464 /nfs/dbraw/zinc/04/44/64/1195044464.db2.gz ITYIHWSEFAKZJP-BZUAXINKSA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836971 1195044470 /nfs/dbraw/zinc/04/44/70/1195044470.db2.gz ITYIHWSEFAKZJP-BZUAXINKSA-N 2 2 369.412 0.616 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]3O)ccn12 ZINC001076996672 1195134764 /nfs/dbraw/zinc/13/47/64/1195134764.db2.gz JAENKZNEYXDOTR-GVDBMIGSSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@H]3O)ccn12 ZINC001076996672 1195134768 /nfs/dbraw/zinc/13/47/68/1195134768.db2.gz JAENKZNEYXDOTR-GVDBMIGSSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]3O)ccn12 ZINC001076996675 1195134814 /nfs/dbraw/zinc/13/48/14/1195134814.db2.gz JDDMRHJXNYJNGF-DJIMGWMZSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@H]3O)ccn12 ZINC001076996675 1195134817 /nfs/dbraw/zinc/13/48/17/1195134817.db2.gz JDDMRHJXNYJNGF-DJIMGWMZSA-N 2 2 358.442 0.844 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077007216 1195140727 /nfs/dbraw/zinc/14/07/27/1195140727.db2.gz DVYMZYALGXEZRF-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077007216 1195140738 /nfs/dbraw/zinc/14/07/38/1195140738.db2.gz DVYMZYALGXEZRF-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131967 1195249458 /nfs/dbraw/zinc/24/94/58/1195249458.db2.gz NSECRCSUPVHSBI-GVDBMIGSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131967 1195249463 /nfs/dbraw/zinc/24/94/63/1195249463.db2.gz NSECRCSUPVHSBI-GVDBMIGSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131967 1195249466 /nfs/dbraw/zinc/24/94/66/1195249466.db2.gz NSECRCSUPVHSBI-GVDBMIGSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131967 1195249473 /nfs/dbraw/zinc/24/94/73/1195249473.db2.gz NSECRCSUPVHSBI-GVDBMIGSSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2O)O1 ZINC001077220712 1195329089 /nfs/dbraw/zinc/32/90/89/1195329089.db2.gz QNSBSMAZHYXWAH-LMFCIFFHSA-N 2 2 373.497 0.944 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2O)O1 ZINC001077220712 1195329092 /nfs/dbraw/zinc/32/90/92/1195329092.db2.gz QNSBSMAZHYXWAH-LMFCIFFHSA-N 2 2 373.497 0.944 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)O1 ZINC001077220712 1195329094 /nfs/dbraw/zinc/32/90/94/1195329094.db2.gz QNSBSMAZHYXWAH-LMFCIFFHSA-N 2 2 373.497 0.944 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)O1 ZINC001077220712 1195329099 /nfs/dbraw/zinc/32/90/99/1195329099.db2.gz QNSBSMAZHYXWAH-LMFCIFFHSA-N 2 2 373.497 0.944 20 0 FCADLP Cc1ccc(F)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220715 1195329187 /nfs/dbraw/zinc/32/91/87/1195329187.db2.gz QPAIWBSEGXKOBB-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220715 1195329191 /nfs/dbraw/zinc/32/91/91/1195329191.db2.gz QPAIWBSEGXKOBB-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220715 1195329195 /nfs/dbraw/zinc/32/91/95/1195329195.db2.gz QPAIWBSEGXKOBB-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220715 1195329196 /nfs/dbraw/zinc/32/91/96/1195329196.db2.gz QPAIWBSEGXKOBB-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077259300 1195364643 /nfs/dbraw/zinc/36/46/43/1195364643.db2.gz NHWCCCPYKZAZAD-QXAKKESOSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077259300 1195364648 /nfs/dbraw/zinc/36/46/48/1195364648.db2.gz NHWCCCPYKZAZAD-QXAKKESOSA-N 2 2 354.454 0.850 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CCC1 ZINC001077275129 1195375696 /nfs/dbraw/zinc/37/56/96/1195375696.db2.gz SNHPFRWSMCBNPC-BRWVUGGUSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CCC1 ZINC001077275129 1195375700 /nfs/dbraw/zinc/37/57/00/1195375700.db2.gz SNHPFRWSMCBNPC-BRWVUGGUSA-N 2 2 366.462 0.326 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077300018 1195398667 /nfs/dbraw/zinc/39/86/67/1195398667.db2.gz TXSRUHZCYRYOPZ-HZPDHXFCSA-N 2 2 362.474 0.835 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077300018 1195398673 /nfs/dbraw/zinc/39/86/73/1195398673.db2.gz TXSRUHZCYRYOPZ-HZPDHXFCSA-N 2 2 362.474 0.835 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077309771 1195412073 /nfs/dbraw/zinc/41/20/73/1195412073.db2.gz GBTYYDJJZRXHRO-IAGOWNOFSA-N 2 2 371.441 0.122 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077309771 1195412074 /nfs/dbraw/zinc/41/20/74/1195412074.db2.gz GBTYYDJJZRXHRO-IAGOWNOFSA-N 2 2 371.441 0.122 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573810 1195449230 /nfs/dbraw/zinc/44/92/30/1195449230.db2.gz VJIRVUYOIQSYFD-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573810 1195449232 /nfs/dbraw/zinc/44/92/32/1195449232.db2.gz VJIRVUYOIQSYFD-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083573810 1195449236 /nfs/dbraw/zinc/44/92/36/1195449236.db2.gz VJIRVUYOIQSYFD-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083573810 1195449241 /nfs/dbraw/zinc/44/92/41/1195449241.db2.gz VJIRVUYOIQSYFD-QYZOEREBSA-N 2 2 361.486 0.979 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001219003087 1224284887 /nfs/dbraw/zinc/28/48/87/1224284887.db2.gz SRMIWYXRELIBQK-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001219003087 1224284895 /nfs/dbraw/zinc/28/48/95/1224284895.db2.gz SRMIWYXRELIBQK-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001219003087 1224284899 /nfs/dbraw/zinc/28/48/99/1224284899.db2.gz SRMIWYXRELIBQK-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001219003087 1224284906 /nfs/dbraw/zinc/28/49/06/1224284906.db2.gz SRMIWYXRELIBQK-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004288 1224285103 /nfs/dbraw/zinc/28/51/03/1224285103.db2.gz FEYSCTBEVXJFOF-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004288 1224285108 /nfs/dbraw/zinc/28/51/08/1224285108.db2.gz FEYSCTBEVXJFOF-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004288 1224285115 /nfs/dbraw/zinc/28/51/15/1224285115.db2.gz FEYSCTBEVXJFOF-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004288 1224285122 /nfs/dbraw/zinc/28/51/22/1224285122.db2.gz FEYSCTBEVXJFOF-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580021 1195528064 /nfs/dbraw/zinc/52/80/64/1195528064.db2.gz MRNFZWICXJMNRS-UHOSZYNNSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580021 1195528069 /nfs/dbraw/zinc/52/80/69/1195528069.db2.gz MRNFZWICXJMNRS-UHOSZYNNSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1(C2CC[NH2+]CC2)CC1 ZINC000904361135 1195534095 /nfs/dbraw/zinc/53/40/95/1195534095.db2.gz WFNCYCPLUXPOEL-UHFFFAOYSA-N 2 2 362.478 0.869 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583452 1195539328 /nfs/dbraw/zinc/53/93/28/1195539328.db2.gz HFSNETHMBJYDBP-ZACQAIPSSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583452 1195539330 /nfs/dbraw/zinc/53/93/30/1195539330.db2.gz HFSNETHMBJYDBP-ZACQAIPSSA-N 2 2 362.474 0.424 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083584427 1195541124 /nfs/dbraw/zinc/54/11/24/1195541124.db2.gz WBDAFHMJTUQKBO-OLMNPRSZSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083584427 1195541132 /nfs/dbraw/zinc/54/11/32/1195541132.db2.gz WBDAFHMJTUQKBO-OLMNPRSZSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083584427 1195541136 /nfs/dbraw/zinc/54/11/36/1195541136.db2.gz WBDAFHMJTUQKBO-OLMNPRSZSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083584427 1195541138 /nfs/dbraw/zinc/54/11/38/1195541138.db2.gz WBDAFHMJTUQKBO-OLMNPRSZSA-N 2 2 362.474 0.411 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)COc1ccccc1 ZINC000905447746 1195586336 /nfs/dbraw/zinc/58/63/36/1195586336.db2.gz ULBXSKNPPMWWQR-RTBURBONSA-N 2 2 363.502 0.813 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083590901 1195587627 /nfs/dbraw/zinc/58/76/27/1195587627.db2.gz AQPUWHPJYUURKP-ZACQAIPSSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083590901 1195587629 /nfs/dbraw/zinc/58/76/29/1195587629.db2.gz AQPUWHPJYUURKP-ZACQAIPSSA-N 2 2 371.441 0.038 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000906066326 1195611871 /nfs/dbraw/zinc/61/18/71/1195611871.db2.gz JKXUOHHKFYEXJF-UHFFFAOYSA-N 2 2 359.518 0.418 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000906066326 1195611875 /nfs/dbraw/zinc/61/18/75/1195611875.db2.gz JKXUOHHKFYEXJF-UHFFFAOYSA-N 2 2 359.518 0.418 20 0 FCADLP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000906656865 1195642750 /nfs/dbraw/zinc/64/27/50/1195642750.db2.gz IAYANWRFGKHZSX-IRXDYDNUSA-N 2 2 360.458 0.843 20 0 FCADLP C[C@@H](CNC(=O)c1cccn1CC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000906763924 1195657717 /nfs/dbraw/zinc/65/77/17/1195657717.db2.gz SRLLFIUIOBJRJN-KRWDZBQOSA-N 2 2 364.490 0.518 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785108 1195664553 /nfs/dbraw/zinc/66/45/53/1195664553.db2.gz DVBSIIVRXWGARN-YLJYHZDGSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785108 1195664555 /nfs/dbraw/zinc/66/45/55/1195664555.db2.gz DVBSIIVRXWGARN-YLJYHZDGSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000906785108 1195664557 /nfs/dbraw/zinc/66/45/57/1195664557.db2.gz DVBSIIVRXWGARN-YLJYHZDGSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000906785108 1195664560 /nfs/dbraw/zinc/66/45/60/1195664560.db2.gz DVBSIIVRXWGARN-YLJYHZDGSA-N 2 2 374.529 0.886 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)o1 ZINC001083602271 1195666236 /nfs/dbraw/zinc/66/62/36/1195666236.db2.gz MJEXOQLMHYKKFX-CABCVRRESA-N 2 2 362.474 0.835 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)o1 ZINC001083602271 1195666238 /nfs/dbraw/zinc/66/62/38/1195666238.db2.gz MJEXOQLMHYKKFX-CABCVRRESA-N 2 2 362.474 0.835 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)o1 ZINC001083607369 1195685711 /nfs/dbraw/zinc/68/57/11/1195685711.db2.gz UXCASVBBCRGUJI-CVEARBPZSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)o1 ZINC001083607369 1195685716 /nfs/dbraw/zinc/68/57/16/1195685716.db2.gz UXCASVBBCRGUJI-CVEARBPZSA-N 2 2 355.398 0.914 20 0 FCADLP CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC000908203876 1195732954 /nfs/dbraw/zinc/73/29/54/1195732954.db2.gz FLZMCPJKLOSKSV-UHFFFAOYSA-N 2 2 369.425 0.639 20 0 FCADLP CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC000908203876 1195732958 /nfs/dbraw/zinc/73/29/58/1195732958.db2.gz FLZMCPJKLOSKSV-UHFFFAOYSA-N 2 2 369.425 0.639 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908202924 1195733148 /nfs/dbraw/zinc/73/31/48/1195733148.db2.gz PLZRADXFEJWYSE-DLBZAZTESA-N 2 2 362.474 0.101 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908202924 1195733152 /nfs/dbraw/zinc/73/31/52/1195733152.db2.gz PLZRADXFEJWYSE-DLBZAZTESA-N 2 2 362.474 0.101 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000908542070 1195753449 /nfs/dbraw/zinc/75/34/49/1195753449.db2.gz WHRRQENFODNJBD-QGZVFWFLSA-N 2 2 364.490 0.397 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000908542070 1195753455 /nfs/dbraw/zinc/75/34/55/1195753455.db2.gz WHRRQENFODNJBD-QGZVFWFLSA-N 2 2 364.490 0.397 20 0 FCADLP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430470 1195775461 /nfs/dbraw/zinc/77/54/61/1195775461.db2.gz NFWFLWDNDIKBDU-TVFCKZIOSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001077430470 1195775463 /nfs/dbraw/zinc/77/54/63/1195775463.db2.gz NFWFLWDNDIKBDU-TVFCKZIOSA-N 2 2 369.506 0.074 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037630 1224310292 /nfs/dbraw/zinc/31/02/92/1224310292.db2.gz UQLNKNPFIRFFOX-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037630 1224310296 /nfs/dbraw/zinc/31/02/96/1224310296.db2.gz UQLNKNPFIRFFOX-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNC(=O)N3CCCC3)CC2)CC1 ZINC000911190839 1195906785 /nfs/dbraw/zinc/90/67/85/1195906785.db2.gz RIWPRFPXFWONSB-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNC(=O)N3CCCC3)CC2)CC1 ZINC000911190839 1195906791 /nfs/dbraw/zinc/90/67/91/1195906791.db2.gz RIWPRFPXFWONSB-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052086 1224321778 /nfs/dbraw/zinc/32/17/78/1224321778.db2.gz DYBKCVDXOKJYCC-IXDOHACOSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052086 1224321787 /nfs/dbraw/zinc/32/17/87/1224321787.db2.gz DYBKCVDXOKJYCC-IXDOHACOSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052086 1224321795 /nfs/dbraw/zinc/32/17/95/1224321795.db2.gz DYBKCVDXOKJYCC-IXDOHACOSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052086 1224321803 /nfs/dbraw/zinc/32/18/03/1224321803.db2.gz DYBKCVDXOKJYCC-IXDOHACOSA-N 2 2 368.522 0.399 20 0 FCADLP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067139 1224333394 /nfs/dbraw/zinc/33/33/94/1224333394.db2.gz LDSSQABTTFGXGE-DLBZAZTESA-N 2 2 366.462 0.238 20 0 FCADLP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067139 1224333404 /nfs/dbraw/zinc/33/34/04/1224333404.db2.gz LDSSQABTTFGXGE-DLBZAZTESA-N 2 2 366.462 0.238 20 0 FCADLP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)[C@@H](CO)C1 ZINC000912747052 1196366096 /nfs/dbraw/zinc/36/60/96/1196366096.db2.gz YCSDQIYOULAHGU-LJQANCHMSA-N 2 2 361.486 0.639 20 0 FCADLP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)[C@@H](CO)C1 ZINC000912747052 1196366101 /nfs/dbraw/zinc/36/61/01/1196366101.db2.gz YCSDQIYOULAHGU-LJQANCHMSA-N 2 2 361.486 0.639 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000991479911 1196463704 /nfs/dbraw/zinc/46/37/04/1196463704.db2.gz QUYMXOCMNCQLMX-OAGGEKHMSA-N 2 2 359.474 0.723 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000991479911 1196463710 /nfs/dbraw/zinc/46/37/10/1196463710.db2.gz QUYMXOCMNCQLMX-OAGGEKHMSA-N 2 2 359.474 0.723 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1ccc(Oc2ccc(N)cc2F)nc1=N ZINC001219090362 1224349461 /nfs/dbraw/zinc/34/94/61/1224349461.db2.gz QQFCJJQKQBYPHP-ZDUSSCGKSA-N 2 2 371.376 0.820 20 0 FCADLP C[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000591597395 1196520808 /nfs/dbraw/zinc/52/08/08/1196520808.db2.gz VGIHTOKZNIFKNU-UHFFFAOYSA-N 2 2 361.494 0.336 20 0 FCADLP CCO[C@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082994 1196539081 /nfs/dbraw/zinc/53/90/81/1196539081.db2.gz YNVLCQYSMTVJLL-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000592186966 1196542083 /nfs/dbraw/zinc/54/20/83/1196542083.db2.gz GUYLFZGQVICRJY-INIZCTEOSA-N 2 2 364.446 0.142 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203934 1196547292 /nfs/dbraw/zinc/54/72/92/1196547292.db2.gz HZMCODZTASGEOF-BRWVUGGUSA-N 2 2 363.458 0.261 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203934 1196547297 /nfs/dbraw/zinc/54/72/97/1196547297.db2.gz HZMCODZTASGEOF-BRWVUGGUSA-N 2 2 363.458 0.261 20 0 FCADLP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106061855 1196820056 /nfs/dbraw/zinc/82/00/56/1196820056.db2.gz MUUXACJGAXYUSI-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106069121 1196823229 /nfs/dbraw/zinc/82/32/29/1196823229.db2.gz WBZSYTCYXPZMSX-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088944938 1196844831 /nfs/dbraw/zinc/84/48/31/1196844831.db2.gz HLFIVPKAOAEGOA-DYVFJYSZSA-N 2 2 368.441 0.739 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088944938 1196844834 /nfs/dbraw/zinc/84/48/34/1196844834.db2.gz HLFIVPKAOAEGOA-DYVFJYSZSA-N 2 2 368.441 0.739 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000992057782 1196927751 /nfs/dbraw/zinc/92/77/51/1196927751.db2.gz YOYANXFTQFMUHM-HLLBOEOZSA-N 2 2 371.485 0.433 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000992057782 1196927759 /nfs/dbraw/zinc/92/77/59/1196927759.db2.gz YOYANXFTQFMUHM-HLLBOEOZSA-N 2 2 371.485 0.433 20 0 FCADLP C[C@H](CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000914067636 1197215149 /nfs/dbraw/zinc/21/51/49/1197215149.db2.gz XMJLADYQIDCHJM-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272541183 1197278328 /nfs/dbraw/zinc/27/83/28/1197278328.db2.gz VMJPFNBYJDOKBW-HNNXBMFYSA-N 2 2 357.458 0.497 20 0 FCADLP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198605 1197559010 /nfs/dbraw/zinc/55/90/10/1197559010.db2.gz IBIHVQGNTFXMIL-HUUCEWRRSA-N 2 2 363.462 0.170 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198605 1197559019 /nfs/dbraw/zinc/55/90/19/1197559019.db2.gz IBIHVQGNTFXMIL-HUUCEWRRSA-N 2 2 363.462 0.170 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992991815 1197651700 /nfs/dbraw/zinc/65/17/00/1197651700.db2.gz YCYSTGUNVQSUBD-VIPLHTEESA-N 2 2 373.501 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992991815 1197651703 /nfs/dbraw/zinc/65/17/03/1197651703.db2.gz YCYSTGUNVQSUBD-VIPLHTEESA-N 2 2 373.501 0.920 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085224928 1197702296 /nfs/dbraw/zinc/70/22/96/1197702296.db2.gz AVZXDJIHYGSOTK-BZUAXINKSA-N 2 2 363.510 0.990 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085224928 1197702312 /nfs/dbraw/zinc/70/23/12/1197702312.db2.gz AVZXDJIHYGSOTK-BZUAXINKSA-N 2 2 363.510 0.990 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1)C1CCC1 ZINC000993042485 1197728262 /nfs/dbraw/zinc/72/82/62/1197728262.db2.gz BAAUYFSCQHSGGM-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1)C1CCC1 ZINC000993042485 1197728271 /nfs/dbraw/zinc/72/82/71/1197728271.db2.gz BAAUYFSCQHSGGM-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)c[nH+]1 ZINC001085241966 1197729558 /nfs/dbraw/zinc/72/95/58/1197729558.db2.gz VFWLPSNGRRSNPS-ZIAGYGMSSA-N 2 2 360.466 0.667 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1)[NH+](C)C ZINC000993045903 1197736570 /nfs/dbraw/zinc/73/65/70/1197736570.db2.gz DZFASKRRWHTUJV-ZSZQSSIHSA-N 2 2 361.490 0.989 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001085242293 1197738690 /nfs/dbraw/zinc/73/86/90/1197738690.db2.gz LIEJGXCXNWBIFW-OAGGEKHMSA-N 2 2 360.458 0.880 20 0 FCADLP COC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734271071 1197740805 /nfs/dbraw/zinc/74/08/05/1197740805.db2.gz CAFMBDXEBOXGQO-HNNXBMFYSA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734271071 1197740814 /nfs/dbraw/zinc/74/08/14/1197740814.db2.gz CAFMBDXEBOXGQO-HNNXBMFYSA-N 2 2 367.494 0.685 20 0 FCADLP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001085275474 1197782443 /nfs/dbraw/zinc/78/24/43/1197782443.db2.gz JCOYVWORIROAKS-HUUCEWRRSA-N 2 2 360.466 0.805 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993079399 1197804874 /nfs/dbraw/zinc/80/48/74/1197804874.db2.gz BFLZDNTZVUSYFC-FRQCXROJSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993079399 1197804877 /nfs/dbraw/zinc/80/48/77/1197804877.db2.gz BFLZDNTZVUSYFC-FRQCXROJSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726052 1197811304 /nfs/dbraw/zinc/81/13/04/1197811304.db2.gz YIFDCEDTJFYCCM-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726052 1197811307 /nfs/dbraw/zinc/81/13/07/1197811307.db2.gz YIFDCEDTJFYCCM-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726052 1197811310 /nfs/dbraw/zinc/81/13/10/1197811310.db2.gz YIFDCEDTJFYCCM-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726052 1197811314 /nfs/dbraw/zinc/81/13/14/1197811314.db2.gz YIFDCEDTJFYCCM-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085337544 1197831294 /nfs/dbraw/zinc/83/12/94/1197831294.db2.gz GJPMZBGNTXZCEG-KBUPBQIOSA-N 2 2 357.462 0.869 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(N)=O ZINC001085382688 1197853948 /nfs/dbraw/zinc/85/39/48/1197853948.db2.gz QLHMHQMCDSYZST-NWANDNLSSA-N 2 2 356.430 0.772 20 0 FCADLP COC(=O)c1nn(C)c2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)cc21 ZINC001219364656 1224443232 /nfs/dbraw/zinc/44/32/32/1224443232.db2.gz MGPHSURCSGFUQG-ZDUSSCGKSA-N 2 2 356.386 0.602 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000993156816 1197900000 /nfs/dbraw/zinc/90/00/00/1197900000.db2.gz NZUQHBWOFVJTNO-YZVOILCLSA-N 2 2 359.474 0.221 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000993156816 1197900009 /nfs/dbraw/zinc/90/00/09/1197900009.db2.gz NZUQHBWOFVJTNO-YZVOILCLSA-N 2 2 359.474 0.221 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498570 1197978610 /nfs/dbraw/zinc/97/86/10/1197978610.db2.gz DKRCWYRFKJMVGU-HZPDHXFCSA-N 2 2 364.494 0.665 20 0 FCADLP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)C1CC1 ZINC001106498763 1197979742 /nfs/dbraw/zinc/97/97/42/1197979742.db2.gz OLWXGDLQXQUCSO-HZPDHXFCSA-N 2 2 361.490 0.968 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825907 1198017047 /nfs/dbraw/zinc/01/70/47/1198017047.db2.gz ZEZCFKBCSZTCSB-GVDBMIGSSA-N 2 2 369.469 0.955 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825907 1198017063 /nfs/dbraw/zinc/01/70/63/1198017063.db2.gz ZEZCFKBCSZTCSB-GVDBMIGSSA-N 2 2 369.469 0.955 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1)C(N)=O ZINC001086088595 1198151734 /nfs/dbraw/zinc/15/17/34/1198151734.db2.gz GJTLDUYVJWLDNU-DGADGQDISA-N 2 2 359.474 0.512 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001006289688 1198258327 /nfs/dbraw/zinc/25/83/27/1198258327.db2.gz WMERBQPMNHUVBK-WNOSKKOXSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001006289688 1198258340 /nfs/dbraw/zinc/25/83/40/1198258340.db2.gz WMERBQPMNHUVBK-WNOSKKOXSA-N 2 2 359.474 0.993 20 0 FCADLP [NH3+]CCOCCOCC(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219457250 1224476242 /nfs/dbraw/zinc/47/62/42/1224476242.db2.gz YWRSQTCSPLKQEF-OAHLLOKOSA-N 2 2 373.400 0.993 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001006310479 1198395947 /nfs/dbraw/zinc/39/59/47/1198395947.db2.gz TWBTULFTYSGNSJ-OAGGEKHMSA-N 2 2 359.474 0.932 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001006310479 1198395953 /nfs/dbraw/zinc/39/59/53/1198395953.db2.gz TWBTULFTYSGNSJ-OAGGEKHMSA-N 2 2 359.474 0.932 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)Nc1cccc3c1[C@H]1C[NH2+]C[C@@H]1O3)C[NH2+]C2 ZINC001219533675 1224500945 /nfs/dbraw/zinc/50/09/45/1224500945.db2.gz NSSUDZOGAFRXRT-RWSFTLGLSA-N 2 2 354.414 0.571 20 0 FCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219543722 1224505189 /nfs/dbraw/zinc/50/51/89/1224505189.db2.gz QVTJPIXAZKCXNJ-CVEARBPZSA-N 2 2 371.441 0.063 20 0 FCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219543722 1224505192 /nfs/dbraw/zinc/50/51/92/1224505192.db2.gz QVTJPIXAZKCXNJ-CVEARBPZSA-N 2 2 371.441 0.063 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219552588 1224507035 /nfs/dbraw/zinc/50/70/35/1224507035.db2.gz DQHQNRIXIQJIGA-SJORKVTESA-N 2 2 358.442 0.720 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219552588 1224507041 /nfs/dbraw/zinc/50/70/41/1224507041.db2.gz DQHQNRIXIQJIGA-SJORKVTESA-N 2 2 358.442 0.720 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219568044 1224512772 /nfs/dbraw/zinc/51/27/72/1224512772.db2.gz XCHIQHGMALUXIU-QZTJIDSGSA-N 2 2 365.449 0.961 20 0 FCADLP CCOC(=O)C1=C(C[N@H+](C)CCCN2CC[NH+](C)CC2)NC(=O)N[C@@H]1C ZINC000746463102 1199033194 /nfs/dbraw/zinc/03/31/94/1199033194.db2.gz JONDDPJJIPHMMY-CQSZACIVSA-N 2 2 367.494 0.074 20 0 FCADLP CCOC(=O)C1=C(C[N@@H+](C)CCCN2CC[NH+](C)CC2)NC(=O)N[C@@H]1C ZINC000746463102 1199033201 /nfs/dbraw/zinc/03/32/01/1199033201.db2.gz JONDDPJJIPHMMY-CQSZACIVSA-N 2 2 367.494 0.074 20 0 FCADLP COC(=O)c1ccc(-c2cncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)n2)cc1 ZINC001169070782 1199044691 /nfs/dbraw/zinc/04/46/91/1199044691.db2.gz BELLZTJGVGYESI-CQSZACIVSA-N 2 2 353.382 0.978 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cc(N3CCOCC3)ccc21 ZINC001169072331 1199045287 /nfs/dbraw/zinc/04/52/87/1199045287.db2.gz QNYMOXRBWBEEMC-CYBMUJFWSA-N 2 2 354.414 0.514 20 0 FCADLP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169130031 1199048672 /nfs/dbraw/zinc/04/86/72/1199048672.db2.gz MXJLYYSLOKPXCU-RZFFKMDDSA-N 2 2 362.430 0.181 20 0 FCADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)CO1 ZINC001169390791 1199062753 /nfs/dbraw/zinc/06/27/53/1199062753.db2.gz WCGAYOGDNJTEJM-JKSUJKDBSA-N 2 2 367.490 0.774 20 0 FCADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CO1 ZINC001169390791 1199062768 /nfs/dbraw/zinc/06/27/68/1199062768.db2.gz WCGAYOGDNJTEJM-JKSUJKDBSA-N 2 2 367.490 0.774 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129337375 1199076837 /nfs/dbraw/zinc/07/68/37/1199076837.db2.gz FNBHLIHEVFIXJR-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129337375 1199076846 /nfs/dbraw/zinc/07/68/46/1199076846.db2.gz FNBHLIHEVFIXJR-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662139 1224547491 /nfs/dbraw/zinc/54/74/91/1224547491.db2.gz BKTGWMMSMOXJQW-SJORKVTESA-N 2 2 364.490 0.738 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662139 1224547497 /nfs/dbraw/zinc/54/74/97/1224547497.db2.gz BKTGWMMSMOXJQW-SJORKVTESA-N 2 2 364.490 0.738 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724294 1224577337 /nfs/dbraw/zinc/57/73/37/1224577337.db2.gz FTZJSVIMEPSGRQ-XHSDSOJGSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724294 1224577341 /nfs/dbraw/zinc/57/73/41/1224577341.db2.gz FTZJSVIMEPSGRQ-XHSDSOJGSA-N 2 2 370.469 0.887 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305121 1200160953 /nfs/dbraw/zinc/16/09/53/1200160953.db2.gz DJDSEDSGTROJCI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305121 1200160958 /nfs/dbraw/zinc/16/09/58/1200160958.db2.gz DJDSEDSGTROJCI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305121 1200160963 /nfs/dbraw/zinc/16/09/63/1200160963.db2.gz DJDSEDSGTROJCI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305121 1200160970 /nfs/dbraw/zinc/16/09/70/1200160970.db2.gz DJDSEDSGTROJCI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP Cc1ccc2c(c1)[C@H](NC(=O)CN1CC[NH2+]CC1=O)CC21CC[NH2+]CC1 ZINC001219754703 1224597558 /nfs/dbraw/zinc/59/75/58/1224597558.db2.gz XOGXGHSSIHSIRQ-QGZVFWFLSA-N 2 2 356.470 0.609 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449297 1200288682 /nfs/dbraw/zinc/28/86/82/1200288682.db2.gz NPWRXWRESUJQRL-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449297 1200288689 /nfs/dbraw/zinc/28/86/89/1200288689.db2.gz NPWRXWRESUJQRL-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001109581422 1200401414 /nfs/dbraw/zinc/40/14/14/1200401414.db2.gz YWAUMVBHDYMRRN-WCVJEAGWSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001109581422 1200401418 /nfs/dbraw/zinc/40/14/18/1200401418.db2.gz YWAUMVBHDYMRRN-WCVJEAGWSA-N 2 2 355.446 0.774 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109727850 1200489916 /nfs/dbraw/zinc/48/99/16/1200489916.db2.gz ZAHYHQZOAPAOOS-RANZSIQMSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109727850 1200489921 /nfs/dbraw/zinc/48/99/21/1200489921.db2.gz ZAHYHQZOAPAOOS-RANZSIQMSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109727850 1200489926 /nfs/dbraw/zinc/48/99/26/1200489926.db2.gz ZAHYHQZOAPAOOS-RANZSIQMSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109727850 1200489930 /nfs/dbraw/zinc/48/99/30/1200489930.db2.gz ZAHYHQZOAPAOOS-RANZSIQMSA-N 2 2 358.486 0.756 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001109731606 1200493054 /nfs/dbraw/zinc/49/30/54/1200493054.db2.gz CALARJFQOZLNFT-OWSLCNJRSA-N 2 2 373.501 0.760 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001109731606 1200493066 /nfs/dbraw/zinc/49/30/66/1200493066.db2.gz CALARJFQOZLNFT-OWSLCNJRSA-N 2 2 373.501 0.760 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735346 1200494742 /nfs/dbraw/zinc/49/47/42/1200494742.db2.gz CKUHYVJCOZCBGQ-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735346 1200494746 /nfs/dbraw/zinc/49/47/46/1200494746.db2.gz CKUHYVJCOZCBGQ-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797999 1224616824 /nfs/dbraw/zinc/61/68/24/1224616824.db2.gz CDINUHNATSEYDW-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797999 1224616831 /nfs/dbraw/zinc/61/68/31/1224616831.db2.gz CDINUHNATSEYDW-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109845178 1200557222 /nfs/dbraw/zinc/55/72/22/1200557222.db2.gz XXMKSZJQIVYIHY-IKGGRYGDSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109845178 1200557231 /nfs/dbraw/zinc/55/72/31/1200557231.db2.gz XXMKSZJQIVYIHY-IKGGRYGDSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001109844627 1200558657 /nfs/dbraw/zinc/55/86/57/1200558657.db2.gz ALDZMDGKIUEVCX-QZWWFDLISA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001109844627 1200558662 /nfs/dbraw/zinc/55/86/62/1200558662.db2.gz ALDZMDGKIUEVCX-QZWWFDLISA-N 2 2 359.474 0.972 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849501 1200562141 /nfs/dbraw/zinc/56/21/41/1200562141.db2.gz VBMDCTYPHABFTM-SIXLDLHFSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849501 1200562151 /nfs/dbraw/zinc/56/21/51/1200562151.db2.gz VBMDCTYPHABFTM-SIXLDLHFSA-N 2 2 364.490 0.097 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001109864540 1200575066 /nfs/dbraw/zinc/57/50/66/1200575066.db2.gz HPBMPCJMZFZTMV-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001109864540 1200575070 /nfs/dbraw/zinc/57/50/70/1200575070.db2.gz HPBMPCJMZFZTMV-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902695 1200601571 /nfs/dbraw/zinc/60/15/71/1200601571.db2.gz WYEVVMFODREGDY-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902695 1200601577 /nfs/dbraw/zinc/60/15/77/1200601577.db2.gz WYEVVMFODREGDY-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)CC1 ZINC001109902771 1200601961 /nfs/dbraw/zinc/60/19/61/1200601961.db2.gz ZSKOHPFBLLOFOP-PVAVHDDUSA-N 2 2 364.490 0.097 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)CC1 ZINC001109902771 1200601970 /nfs/dbraw/zinc/60/19/70/1200601970.db2.gz ZSKOHPFBLLOFOP-PVAVHDDUSA-N 2 2 364.490 0.097 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219800715 1224620872 /nfs/dbraw/zinc/62/08/72/1224620872.db2.gz UYLPEQQLURIFMY-QRVBRYPASA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219800715 1224620877 /nfs/dbraw/zinc/62/08/77/1224620877.db2.gz UYLPEQQLURIFMY-QRVBRYPASA-N 2 2 371.485 0.483 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001109934233 1200618657 /nfs/dbraw/zinc/61/86/57/1200618657.db2.gz VQFGVZZSGVDZSF-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001109934233 1200618665 /nfs/dbraw/zinc/61/86/65/1200618665.db2.gz VQFGVZZSGVDZSF-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109934233 1200618671 /nfs/dbraw/zinc/61/86/71/1200618671.db2.gz VQFGVZZSGVDZSF-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109934233 1200618680 /nfs/dbraw/zinc/61/86/80/1200618680.db2.gz VQFGVZZSGVDZSF-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219803662 1224622928 /nfs/dbraw/zinc/62/29/28/1224622928.db2.gz CNGGBWVMYGECRX-RYRKJORJSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219803662 1224622932 /nfs/dbraw/zinc/62/29/32/1224622932.db2.gz CNGGBWVMYGECRX-RYRKJORJSA-N 2 2 362.474 0.482 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109980391 1200664142 /nfs/dbraw/zinc/66/41/42/1200664142.db2.gz MZOMTUGEVAMAMC-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109980391 1200664150 /nfs/dbraw/zinc/66/41/50/1200664150.db2.gz MZOMTUGEVAMAMC-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109980391 1200664156 /nfs/dbraw/zinc/66/41/56/1200664156.db2.gz MZOMTUGEVAMAMC-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109980391 1200664162 /nfs/dbraw/zinc/66/41/62/1200664162.db2.gz MZOMTUGEVAMAMC-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109980706 1200665840 /nfs/dbraw/zinc/66/58/40/1200665840.db2.gz XSZAHNICHHRBSS-BDXSIMOUSA-N 2 2 362.518 0.966 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109980706 1200665849 /nfs/dbraw/zinc/66/58/49/1200665849.db2.gz XSZAHNICHHRBSS-BDXSIMOUSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)C1 ZINC001109980706 1200665854 /nfs/dbraw/zinc/66/58/54/1200665854.db2.gz XSZAHNICHHRBSS-BDXSIMOUSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)C1 ZINC001109980706 1200665860 /nfs/dbraw/zinc/66/58/60/1200665860.db2.gz XSZAHNICHHRBSS-BDXSIMOUSA-N 2 2 362.518 0.966 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001109997078 1200684171 /nfs/dbraw/zinc/68/41/71/1200684171.db2.gz DFYPAVAZXQBZFT-KCPJHIHWSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001109997078 1200684183 /nfs/dbraw/zinc/68/41/83/1200684183.db2.gz DFYPAVAZXQBZFT-KCPJHIHWSA-N 2 2 361.494 0.893 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005975 1200693167 /nfs/dbraw/zinc/69/31/67/1200693167.db2.gz OQHREYPJALYDLJ-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005975 1200693177 /nfs/dbraw/zinc/69/31/77/1200693177.db2.gz OQHREYPJALYDLJ-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001110051864 1200737269 /nfs/dbraw/zinc/73/72/69/1200737269.db2.gz CVCYUPYCUSHFCU-NJAFHUGGSA-N 2 2 369.469 0.973 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001110051864 1200737271 /nfs/dbraw/zinc/73/72/71/1200737271.db2.gz CVCYUPYCUSHFCU-NJAFHUGGSA-N 2 2 369.469 0.973 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815860 1224631950 /nfs/dbraw/zinc/63/19/50/1224631950.db2.gz NWHPZYDKIHDAMQ-SJORKVTESA-N 2 2 365.449 0.850 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815860 1224631955 /nfs/dbraw/zinc/63/19/55/1224631955.db2.gz NWHPZYDKIHDAMQ-SJORKVTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815860 1224631965 /nfs/dbraw/zinc/63/19/65/1224631965.db2.gz NWHPZYDKIHDAMQ-SJORKVTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815860 1224631972 /nfs/dbraw/zinc/63/19/72/1224631972.db2.gz NWHPZYDKIHDAMQ-SJORKVTESA-N 2 2 365.449 0.850 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112570404 1200802976 /nfs/dbraw/zinc/80/29/76/1200802976.db2.gz VJIJAPSHIPTFTI-YJBOKZPZSA-N 2 2 357.462 0.771 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c(C)c(C)[nH+]1 ZINC001090438608 1200814997 /nfs/dbraw/zinc/81/49/97/1200814997.db2.gz RJTVIFJUWAGKRM-IAGOWNOFSA-N 2 2 361.490 0.944 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112590525 1200828903 /nfs/dbraw/zinc/82/89/03/1200828903.db2.gz ZLPWYDJOWLXIHU-HKUYNNGSSA-N 2 2 364.490 0.891 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590651 1200830019 /nfs/dbraw/zinc/83/00/19/1200830019.db2.gz JCJSXUDTZBEXRS-LPHOPBHVSA-N 2 2 361.490 0.874 20 0 FCADLP CCN(CC)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590631 1200830212 /nfs/dbraw/zinc/83/02/12/1200830212.db2.gz IGTZXJGIXFEFLW-LPHOPBHVSA-N 2 2 361.490 0.970 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccncc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786785137 1200851936 /nfs/dbraw/zinc/85/19/36/1200851936.db2.gz HCCRVOPZCMZAQF-SFHVURJKSA-N 2 2 373.501 0.367 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccncc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786785137 1200851940 /nfs/dbraw/zinc/85/19/40/1200851940.db2.gz HCCRVOPZCMZAQF-SFHVURJKSA-N 2 2 373.501 0.367 20 0 FCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787939526 1200926438 /nfs/dbraw/zinc/92/64/38/1200926438.db2.gz KDOGJLFYFAPYMQ-GJZGRUSLSA-N 2 2 362.474 0.612 20 0 FCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787939526 1200926441 /nfs/dbraw/zinc/92/64/41/1200926441.db2.gz KDOGJLFYFAPYMQ-GJZGRUSLSA-N 2 2 362.474 0.612 20 0 FCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787939524 1200927392 /nfs/dbraw/zinc/92/73/92/1200927392.db2.gz KDOGJLFYFAPYMQ-CABCVRRESA-N 2 2 362.474 0.612 20 0 FCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787939524 1200927397 /nfs/dbraw/zinc/92/73/97/1200927397.db2.gz KDOGJLFYFAPYMQ-CABCVRRESA-N 2 2 362.474 0.612 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000788794751 1200974075 /nfs/dbraw/zinc/97/40/75/1200974075.db2.gz IFFXOGUPWXVURM-HUUCEWRRSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000788794751 1200974084 /nfs/dbraw/zinc/97/40/84/1200974084.db2.gz IFFXOGUPWXVURM-HUUCEWRRSA-N 2 2 359.474 0.727 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086578941 1201023298 /nfs/dbraw/zinc/02/32/98/1201023298.db2.gz GENZGRJPVKGTNY-RCCFBDPRSA-N 2 2 358.486 0.753 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086578941 1201023303 /nfs/dbraw/zinc/02/33/03/1201023303.db2.gz GENZGRJPVKGTNY-RCCFBDPRSA-N 2 2 358.486 0.753 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086578941 1201023308 /nfs/dbraw/zinc/02/33/08/1201023308.db2.gz GENZGRJPVKGTNY-RCCFBDPRSA-N 2 2 358.486 0.753 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086578941 1201023312 /nfs/dbraw/zinc/02/33/12/1201023312.db2.gz GENZGRJPVKGTNY-RCCFBDPRSA-N 2 2 358.486 0.753 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000789752626 1201028724 /nfs/dbraw/zinc/02/87/24/1201028724.db2.gz JSIRTHDSMVOBIS-HOCLYGCPSA-N 2 2 363.462 0.147 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C[NH+]1CCCC1 ZINC000790187878 1201058701 /nfs/dbraw/zinc/05/87/01/1201058701.db2.gz ITSLPTQQPURIIP-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP O=C1CCCN1C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364062 1201067449 /nfs/dbraw/zinc/06/74/49/1201067449.db2.gz WTQPJXZTZKYAMH-IBGZPJMESA-N 2 2 362.474 0.947 20 0 FCADLP O=C1O[C@@]2(CN1C[N@@H+]1CCOCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790381726 1201071992 /nfs/dbraw/zinc/07/19/92/1201071992.db2.gz AWTMEBXETMAPMY-LJQANCHMSA-N 2 2 365.474 0.990 20 0 FCADLP O=C1O[C@@]2(CN1C[N@H+]1CCOCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790381726 1201071998 /nfs/dbraw/zinc/07/19/98/1201071998.db2.gz AWTMEBXETMAPMY-LJQANCHMSA-N 2 2 365.474 0.990 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219842778 1224650118 /nfs/dbraw/zinc/65/01/18/1224650118.db2.gz YEWATEDDTNUNTD-RYRKJORJSA-N 2 2 364.490 0.728 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219842778 1224650121 /nfs/dbraw/zinc/65/01/21/1224650121.db2.gz YEWATEDDTNUNTD-RYRKJORJSA-N 2 2 364.490 0.728 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCCO[C@H]2CCOC2)CC1 ZINC001113358093 1201092173 /nfs/dbraw/zinc/09/21/73/1201092173.db2.gz XTBCACWDIVMYCK-GVDBMIGSSA-N 2 2 362.474 0.863 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595571 1201129953 /nfs/dbraw/zinc/12/99/53/1201129953.db2.gz ISXPYXBGHYOSBT-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001086595571 1201129964 /nfs/dbraw/zinc/12/99/64/1201129964.db2.gz ISXPYXBGHYOSBT-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086595571 1201129969 /nfs/dbraw/zinc/12/99/69/1201129969.db2.gz ISXPYXBGHYOSBT-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086595571 1201129977 /nfs/dbraw/zinc/12/99/77/1201129977.db2.gz ISXPYXBGHYOSBT-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCC1 ZINC000793712168 1201254397 /nfs/dbraw/zinc/25/43/97/1201254397.db2.gz ZSAUUFRDZUJQAS-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793800315 1201266215 /nfs/dbraw/zinc/26/62/15/1201266215.db2.gz DMDYFIHGRUZLEU-UHFFFAOYSA-N 2 2 367.413 0.513 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129411668 1201297869 /nfs/dbraw/zinc/29/78/69/1201297869.db2.gz BCUXNOFRIVQLFD-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129411668 1201297877 /nfs/dbraw/zinc/29/78/77/1201297877.db2.gz BCUXNOFRIVQLFD-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001086623394 1201348740 /nfs/dbraw/zinc/34/87/40/1201348740.db2.gz BUFJOENOTPUCPZ-RBUKOAKNSA-N 2 2 368.485 0.995 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001086623394 1201348744 /nfs/dbraw/zinc/34/87/44/1201348744.db2.gz BUFJOENOTPUCPZ-RBUKOAKNSA-N 2 2 368.485 0.995 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623678 1201350479 /nfs/dbraw/zinc/35/04/79/1201350479.db2.gz QLOLXOSQXDEVCU-RCCFBDPRSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623678 1201350483 /nfs/dbraw/zinc/35/04/83/1201350483.db2.gz QLOLXOSQXDEVCU-RCCFBDPRSA-N 2 2 358.486 0.930 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001086623720 1201350959 /nfs/dbraw/zinc/35/09/59/1201350959.db2.gz UGQCVFDWMKEALD-OTWHNJEPSA-N 2 2 370.497 0.897 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001086623720 1201350963 /nfs/dbraw/zinc/35/09/63/1201350963.db2.gz UGQCVFDWMKEALD-OTWHNJEPSA-N 2 2 370.497 0.897 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877370 1224668240 /nfs/dbraw/zinc/66/82/40/1224668240.db2.gz CDZGSZKKWGJWHZ-CVEARBPZSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877370 1224668244 /nfs/dbraw/zinc/66/82/44/1224668244.db2.gz CDZGSZKKWGJWHZ-CVEARBPZSA-N 2 2 366.462 0.003 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COCc1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892792 1201416905 /nfs/dbraw/zinc/41/69/05/1201416905.db2.gz BIUJWWOKMXGTEE-BRWVUGGUSA-N 2 2 358.442 0.797 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COCc1ccccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892792 1201416909 /nfs/dbraw/zinc/41/69/09/1201416909.db2.gz BIUJWWOKMXGTEE-BRWVUGGUSA-N 2 2 358.442 0.797 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086626214 1201446841 /nfs/dbraw/zinc/44/68/41/1201446841.db2.gz BCIYGLXSHVAQET-KSZLIROESA-N 2 2 367.453 0.746 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086626214 1201446848 /nfs/dbraw/zinc/44/68/48/1201446848.db2.gz BCIYGLXSHVAQET-KSZLIROESA-N 2 2 367.453 0.746 20 0 FCADLP CC(C)COCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130023937 1201474213 /nfs/dbraw/zinc/47/42/13/1201474213.db2.gz FSTGJADZPATCHY-CVEARBPZSA-N 2 2 361.450 0.258 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130024334 1201478894 /nfs/dbraw/zinc/47/88/94/1201478894.db2.gz RHTPVSXCKSPYMH-CVEARBPZSA-N 2 2 359.434 0.012 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001130079254 1201495937 /nfs/dbraw/zinc/49/59/37/1201495937.db2.gz AIASSEUAMWDQCG-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001130079254 1201495939 /nfs/dbraw/zinc/49/59/39/1201495939.db2.gz AIASSEUAMWDQCG-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130110088 1201503933 /nfs/dbraw/zinc/50/39/33/1201503933.db2.gz UFTPKFLJEAUYEM-SJORKVTESA-N 2 2 357.462 0.952 20 0 FCADLP C[N@H+](CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)C1CCC1 ZINC001130221142 1201550658 /nfs/dbraw/zinc/55/06/58/1201550658.db2.gz WLPKVEWXRLIPBB-KBPBESRZSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@@H+](CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1)C1CCC1 ZINC001130221142 1201550661 /nfs/dbraw/zinc/55/06/61/1201550661.db2.gz WLPKVEWXRLIPBB-KBPBESRZSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+](CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)C1CCC1 ZINC001130221142 1201550665 /nfs/dbraw/zinc/55/06/65/1201550665.db2.gz WLPKVEWXRLIPBB-KBPBESRZSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@@H+](CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)C1CCC1 ZINC001130221142 1201550672 /nfs/dbraw/zinc/55/06/72/1201550672.db2.gz WLPKVEWXRLIPBB-KBPBESRZSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+](CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)C1CCC1 ZINC001130221142 1201550677 /nfs/dbraw/zinc/55/06/77/1201550677.db2.gz WLPKVEWXRLIPBB-KBPBESRZSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@@H+](CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)C1CCC1 ZINC001130221142 1201550680 /nfs/dbraw/zinc/55/06/80/1201550680.db2.gz WLPKVEWXRLIPBB-KBPBESRZSA-N 2 2 368.457 0.337 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001219931100 1224688092 /nfs/dbraw/zinc/68/80/92/1224688092.db2.gz LTRIQOVFFSFAGV-GDBMZVCRSA-N 2 2 360.458 0.706 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719404 1202766024 /nfs/dbraw/zinc/76/60/24/1202766024.db2.gz OFNKLRIJPTZMOX-RVSPLBMKSA-N 2 2 360.462 0.613 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073434 1224745014 /nfs/dbraw/zinc/74/50/14/1224745014.db2.gz ARCMPPJYHMVNOM-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073434 1224745020 /nfs/dbraw/zinc/74/50/20/1224745020.db2.gz ARCMPPJYHMVNOM-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073434 1224745024 /nfs/dbraw/zinc/74/50/24/1224745024.db2.gz ARCMPPJYHMVNOM-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073434 1224745028 /nfs/dbraw/zinc/74/50/28/1224745028.db2.gz ARCMPPJYHMVNOM-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1 ZINC001130792576 1202799856 /nfs/dbraw/zinc/79/98/56/1202799856.db2.gz KYFRXBHXYLTBRJ-UONOGXRCSA-N 2 2 361.450 0.844 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130815915 1202806662 /nfs/dbraw/zinc/80/66/62/1202806662.db2.gz GWGMNOYLSPIMCF-LSDHHAIUSA-N 2 2 364.494 0.982 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130815915 1202806664 /nfs/dbraw/zinc/80/66/64/1202806664.db2.gz GWGMNOYLSPIMCF-LSDHHAIUSA-N 2 2 364.494 0.982 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130973056 1202832542 /nfs/dbraw/zinc/83/25/42/1202832542.db2.gz NVWKQJQXDUINPS-HUUCEWRRSA-N 2 2 360.462 0.697 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130973164 1202832826 /nfs/dbraw/zinc/83/28/26/1202832826.db2.gz SFIMEVRCLQRRHG-RBSFLKMASA-N 2 2 360.462 0.695 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131105687 1202863556 /nfs/dbraw/zinc/86/35/56/1202863556.db2.gz FHTBBTSXBBTOTK-ZIAGYGMSSA-N 2 2 360.462 0.651 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131107841 1202863995 /nfs/dbraw/zinc/86/39/95/1202863995.db2.gz CFFDEPTVADDGPG-FVQBIDKESA-N 2 2 360.462 0.315 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131115155 1202867250 /nfs/dbraw/zinc/86/72/50/1202867250.db2.gz AIKXAKXXIIYYGT-HZPDHXFCSA-N 2 2 360.462 0.834 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131115155 1202867254 /nfs/dbraw/zinc/86/72/54/1202867254.db2.gz AIKXAKXXIIYYGT-HZPDHXFCSA-N 2 2 360.462 0.834 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130466 1202869172 /nfs/dbraw/zinc/86/91/72/1202869172.db2.gz OEPZMHIGPUSOJH-HZPDHXFCSA-N 2 2 360.462 0.627 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC001086664171 1202881424 /nfs/dbraw/zinc/88/14/24/1202881424.db2.gz AZDNDYRVAQKOMA-NWANDNLSSA-N 2 2 363.462 0.652 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC001086664171 1202881428 /nfs/dbraw/zinc/88/14/28/1202881428.db2.gz AZDNDYRVAQKOMA-NWANDNLSSA-N 2 2 363.462 0.652 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131572111 1202915814 /nfs/dbraw/zinc/91/58/14/1202915814.db2.gz DEAUYVQLVCUKDD-QAPCUYQASA-N 2 2 363.462 0.074 20 0 FCADLP CCO[C@@H](C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001131613729 1202921840 /nfs/dbraw/zinc/92/18/40/1202921840.db2.gz LRSKFVBRUZKLSX-SQNIBIBYSA-N 2 2 369.506 0.387 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCC=CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000805502499 1203003533 /nfs/dbraw/zinc/00/35/33/1203003533.db2.gz IVXFFCGGESVLBK-DLBZAZTESA-N 2 2 364.490 0.422 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCC=CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000805502499 1203003537 /nfs/dbraw/zinc/00/35/37/1203003537.db2.gz IVXFFCGGESVLBK-DLBZAZTESA-N 2 2 364.490 0.422 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC001134042293 1203011106 /nfs/dbraw/zinc/01/11/06/1203011106.db2.gz CSRAIQKMNBMQSU-ZIAGYGMSSA-N 2 2 369.425 0.875 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001086806930 1203107967 /nfs/dbraw/zinc/10/79/67/1203107967.db2.gz WZSGRIMWVLYHDY-SJXGUFTOSA-N 2 2 357.462 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001086806938 1203108152 /nfs/dbraw/zinc/10/81/52/1203108152.db2.gz XVRCLKFDWGUXOK-ZJIFWQFVSA-N 2 2 357.462 0.690 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@@H](c2ccccc2)C1 ZINC000817918513 1203126366 /nfs/dbraw/zinc/12/63/66/1203126366.db2.gz KLHBQIHGWDVLOU-XLIONFOSSA-N 2 2 356.470 0.856 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@@H](c2ccccc2)C1 ZINC000817918513 1203126369 /nfs/dbraw/zinc/12/63/69/1203126369.db2.gz KLHBQIHGWDVLOU-XLIONFOSSA-N 2 2 356.470 0.856 20 0 FCADLP CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000818341301 1203137936 /nfs/dbraw/zinc/13/79/36/1203137936.db2.gz YWEDNFKHIOMEDY-SPYBWZPUSA-N 2 2 373.457 0.734 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cc(C)[nH+]1 ZINC001090540204 1203208043 /nfs/dbraw/zinc/20/80/43/1203208043.db2.gz SPFFKAHENDGXKI-HUUCEWRRSA-N 2 2 363.506 0.991 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cc(C)[nH+]1 ZINC001090540204 1203208046 /nfs/dbraw/zinc/20/80/46/1203208046.db2.gz SPFFKAHENDGXKI-HUUCEWRRSA-N 2 2 363.506 0.991 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@@H]4COCC[NH2+]4)n3)cc2)CC1 ZINC000822926122 1203240763 /nfs/dbraw/zinc/24/07/63/1203240763.db2.gz SJCIFLPAHFUDAC-MRXNPFEDSA-N 2 2 371.441 0.655 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnn(C)c1 ZINC001110107754 1203285187 /nfs/dbraw/zinc/28/51/87/1203285187.db2.gz UNXXZIHKUBSDEQ-BGTYHANMSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnn(C)c1 ZINC001110107754 1203285190 /nfs/dbraw/zinc/28/51/90/1203285190.db2.gz UNXXZIHKUBSDEQ-BGTYHANMSA-N 2 2 361.490 0.610 20 0 FCADLP Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107885 1203289865 /nfs/dbraw/zinc/28/98/65/1203289865.db2.gz YQXMPYMUTGBNEI-VLQPXKRTSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107885 1203289867 /nfs/dbraw/zinc/28/98/67/1203289867.db2.gz YQXMPYMUTGBNEI-VLQPXKRTSA-N 2 2 373.501 0.975 20 0 FCADLP C[N@H+](C1CN(C(=O)[C@H]2[C@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671505 1203323879 /nfs/dbraw/zinc/32/38/79/1203323879.db2.gz SJVMPROUMSZHGW-QXAKKESOSA-N 2 2 359.470 0.553 20 0 FCADLP C[N@@H+](C1CN(C(=O)[C@H]2[C@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671505 1203323881 /nfs/dbraw/zinc/32/38/81/1203323881.db2.gz SJVMPROUMSZHGW-QXAKKESOSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671505 1203323885 /nfs/dbraw/zinc/32/38/85/1203323885.db2.gz SJVMPROUMSZHGW-QXAKKESOSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671505 1203323890 /nfs/dbraw/zinc/32/38/90/1203323890.db2.gz SJVMPROUMSZHGW-QXAKKESOSA-N 2 2 359.470 0.553 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090884469 1203331077 /nfs/dbraw/zinc/33/10/77/1203331077.db2.gz RZOJBSIPLNQZJL-DLBZAZTESA-N 2 2 371.441 0.041 20 0 FCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000844184303 1203338550 /nfs/dbraw/zinc/33/85/50/1203338550.db2.gz IGXWXZUFLVRIBE-RTBURBONSA-N 2 2 361.486 0.815 20 0 FCADLP COC(=O)[C@@]1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228340 1224809665 /nfs/dbraw/zinc/80/96/65/1224809665.db2.gz JLTIQKOVGJHUCK-HXUWFJFHSA-N 3 2 374.485 0.262 20 0 FCADLP COC(=O)[C@@]1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228340 1224809667 /nfs/dbraw/zinc/80/96/67/1224809667.db2.gz JLTIQKOVGJHUCK-HXUWFJFHSA-N 3 2 374.485 0.262 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229254 1224810265 /nfs/dbraw/zinc/81/02/65/1224810265.db2.gz UXDAUHVYUOXBOB-IMJJTQAJSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229254 1224810267 /nfs/dbraw/zinc/81/02/67/1224810267.db2.gz UXDAUHVYUOXBOB-IMJJTQAJSA-N 2 2 368.522 0.183 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC1 ZINC001220230392 1224811148 /nfs/dbraw/zinc/81/11/48/1224811148.db2.gz CMBIBTUOWSBEJI-SJORKVTESA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC1 ZINC001220230392 1224811150 /nfs/dbraw/zinc/81/11/50/1224811150.db2.gz CMBIBTUOWSBEJI-SJORKVTESA-N 2 2 365.449 0.321 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237699 1224812600 /nfs/dbraw/zinc/81/26/00/1224812600.db2.gz BJSODLYKYDQRBE-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237699 1224812602 /nfs/dbraw/zinc/81/26/02/1224812602.db2.gz BJSODLYKYDQRBE-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1OC)[NH+](C)C ZINC001090905181 1204385403 /nfs/dbraw/zinc/38/54/03/1204385403.db2.gz OFTQPRKOCFEEIN-HZSPNIEDSA-N 2 2 361.450 0.023 20 0 FCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001090989247 1204422138 /nfs/dbraw/zinc/42/21/38/1204422138.db2.gz UAWXQIMWQOSYHA-TZMCWYRMSA-N 2 2 361.450 0.200 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccc(O)cn3)CC2)C1 ZINC001144259808 1204441939 /nfs/dbraw/zinc/44/19/39/1204441939.db2.gz VPTUGZSCFOEMJW-UHFFFAOYSA-N 2 2 362.474 0.790 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc(O)cn3)CC2)C1 ZINC001144259808 1204441940 /nfs/dbraw/zinc/44/19/40/1204441940.db2.gz VPTUGZSCFOEMJW-UHFFFAOYSA-N 2 2 362.474 0.790 20 0 FCADLP CC(C)c1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001091096856 1204514098 /nfs/dbraw/zinc/51/40/98/1204514098.db2.gz BKVOMCRRMAOLAG-XSCHDIRWSA-N 2 2 364.494 0.632 20 0 FCADLP CC(C)c1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001091096856 1204514104 /nfs/dbraw/zinc/51/41/04/1204514104.db2.gz BKVOMCRRMAOLAG-XSCHDIRWSA-N 2 2 364.494 0.632 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3[nH+]cn4ccccc34)CC[C@@H]2C1 ZINC001144618112 1204565542 /nfs/dbraw/zinc/56/55/42/1204565542.db2.gz GNFPVKRRSJFHRM-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3[nH+]cn4ccccc34)CC[C@@H]2C1 ZINC001144618112 1204565547 /nfs/dbraw/zinc/56/55/47/1204565547.db2.gz GNFPVKRRSJFHRM-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359514 1224844110 /nfs/dbraw/zinc/84/41/10/1224844110.db2.gz PIOHFQNSGDTKRP-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359514 1224844111 /nfs/dbraw/zinc/84/41/11/1224844111.db2.gz PIOHFQNSGDTKRP-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359514 1224844115 /nfs/dbraw/zinc/84/41/15/1224844115.db2.gz PIOHFQNSGDTKRP-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359514 1224844120 /nfs/dbraw/zinc/84/41/20/1224844120.db2.gz PIOHFQNSGDTKRP-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387806 1224853474 /nfs/dbraw/zinc/85/34/74/1224853474.db2.gz QYPKNFVRXVDOGT-IMJJTQAJSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387806 1224853478 /nfs/dbraw/zinc/85/34/78/1224853478.db2.gz QYPKNFVRXVDOGT-IMJJTQAJSA-N 2 2 366.462 0.145 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773649 1204806854 /nfs/dbraw/zinc/80/68/54/1204806854.db2.gz ITOKNKSMFUNJSU-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773649 1204806856 /nfs/dbraw/zinc/80/68/56/1204806856.db2.gz ITOKNKSMFUNJSU-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773649 1204806858 /nfs/dbraw/zinc/80/68/58/1204806858.db2.gz ITOKNKSMFUNJSU-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773649 1204806859 /nfs/dbraw/zinc/80/68/59/1204806859.db2.gz ITOKNKSMFUNJSU-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147772698 1204806947 /nfs/dbraw/zinc/80/69/47/1204806947.db2.gz AGUBEBIVNOPAIJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147772698 1204806952 /nfs/dbraw/zinc/80/69/52/1204806952.db2.gz AGUBEBIVNOPAIJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147772698 1204806953 /nfs/dbraw/zinc/80/69/53/1204806953.db2.gz AGUBEBIVNOPAIJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147772698 1204806954 /nfs/dbraw/zinc/80/69/54/1204806954.db2.gz AGUBEBIVNOPAIJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720915 1204832175 /nfs/dbraw/zinc/83/21/75/1204832175.db2.gz GVBIQNSAALPJNN-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720915 1204832179 /nfs/dbraw/zinc/83/21/79/1204832179.db2.gz GVBIQNSAALPJNN-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720915 1204832182 /nfs/dbraw/zinc/83/21/82/1204832182.db2.gz GVBIQNSAALPJNN-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001091755242 1204844491 /nfs/dbraw/zinc/84/44/91/1204844491.db2.gz INXDGFOWKDNCEZ-GPINWOSQSA-N 2 2 372.473 0.319 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001091755242 1204844494 /nfs/dbraw/zinc/84/44/94/1204844494.db2.gz INXDGFOWKDNCEZ-GPINWOSQSA-N 2 2 372.473 0.319 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001091755242 1204844495 /nfs/dbraw/zinc/84/44/95/1204844495.db2.gz INXDGFOWKDNCEZ-GPINWOSQSA-N 2 2 372.473 0.319 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001091755242 1204844496 /nfs/dbraw/zinc/84/44/96/1204844496.db2.gz INXDGFOWKDNCEZ-GPINWOSQSA-N 2 2 372.473 0.319 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2[NH2+]CCF)cn1 ZINC001086985442 1204879924 /nfs/dbraw/zinc/87/99/24/1204879924.db2.gz KSDUVXHARKXLNJ-GOEBONIOSA-N 2 2 364.425 0.637 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2c2cnn(C)c2)cn1 ZINC001086999332 1204888897 /nfs/dbraw/zinc/88/88/97/1204888897.db2.gz BDWAXMMVEQLILS-DLBZAZTESA-N 2 2 368.445 0.204 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087094217 1204987650 /nfs/dbraw/zinc/98/76/50/1204987650.db2.gz WYIZURIUTLKWGU-HUUCEWRRSA-N 2 2 360.462 0.822 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087098718 1204992988 /nfs/dbraw/zinc/99/29/88/1204992988.db2.gz JQTBMPBKLCXEDF-UKRRQHHQSA-N 2 2 361.450 0.042 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087096751 1205004727 /nfs/dbraw/zinc/00/47/27/1205004727.db2.gz AVNHGVNGBJTCSF-TZMCWYRMSA-N 2 2 362.434 0.724 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091799933 1205017790 /nfs/dbraw/zinc/01/77/90/1205017790.db2.gz HWKHVCGFKRIETC-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091799933 1205017793 /nfs/dbraw/zinc/01/77/93/1205017793.db2.gz HWKHVCGFKRIETC-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805618 1205020028 /nfs/dbraw/zinc/02/00/28/1205020028.db2.gz JLIUNAWVJAVFBP-JCGVRSQUSA-N 2 2 363.462 0.265 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805618 1205020031 /nfs/dbraw/zinc/02/00/31/1205020031.db2.gz JLIUNAWVJAVFBP-JCGVRSQUSA-N 2 2 363.462 0.265 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780569 1205026254 /nfs/dbraw/zinc/02/62/54/1205026254.db2.gz QLIDKVRQWGJAQN-LBTNJELSSA-N 2 2 364.494 0.756 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780569 1205026257 /nfs/dbraw/zinc/02/62/57/1205026257.db2.gz QLIDKVRQWGJAQN-LBTNJELSSA-N 2 2 364.494 0.756 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001091780104 1205026782 /nfs/dbraw/zinc/02/67/82/1205026782.db2.gz VMKHMKWLXAQICI-VCBZYWHSSA-N 2 2 358.442 0.302 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001091780104 1205026785 /nfs/dbraw/zinc/02/67/85/1205026785.db2.gz VMKHMKWLXAQICI-VCBZYWHSSA-N 2 2 358.442 0.302 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1C ZINC001091857694 1205053233 /nfs/dbraw/zinc/05/32/33/1205053233.db2.gz SAWOUQCFPOVINC-BEFAXECRSA-N 2 2 371.489 0.863 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1C ZINC001091857694 1205053239 /nfs/dbraw/zinc/05/32/39/1205053239.db2.gz SAWOUQCFPOVINC-BEFAXECRSA-N 2 2 371.489 0.863 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001091860347 1205054554 /nfs/dbraw/zinc/05/45/54/1205054554.db2.gz QNCPEJNKCABUBY-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001091860347 1205054558 /nfs/dbraw/zinc/05/45/58/1205054558.db2.gz QNCPEJNKCABUBY-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001091947086 1205086773 /nfs/dbraw/zinc/08/67/73/1205086773.db2.gz YUNVSLTXKDJQAV-POAQFYNOSA-N 2 2 365.518 0.793 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001091947086 1205086776 /nfs/dbraw/zinc/08/67/76/1205086776.db2.gz YUNVSLTXKDJQAV-POAQFYNOSA-N 2 2 365.518 0.793 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091947086 1205086780 /nfs/dbraw/zinc/08/67/80/1205086780.db2.gz YUNVSLTXKDJQAV-POAQFYNOSA-N 2 2 365.518 0.793 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091947086 1205086784 /nfs/dbraw/zinc/08/67/84/1205086784.db2.gz YUNVSLTXKDJQAV-POAQFYNOSA-N 2 2 365.518 0.793 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002256 1205099699 /nfs/dbraw/zinc/09/96/99/1205099699.db2.gz BHBNWYHWZAGDTH-TYILLQQXSA-N 2 2 359.474 0.698 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002256 1205099700 /nfs/dbraw/zinc/09/97/00/1205099700.db2.gz BHBNWYHWZAGDTH-TYILLQQXSA-N 2 2 359.474 0.698 20 0 FCADLP C[C@]12CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092015092 1205114883 /nfs/dbraw/zinc/11/48/83/1205114883.db2.gz JEVQLJPGGBWMEM-ACJLOTCBSA-N 2 2 361.446 0.150 20 0 FCADLP C[C@]12CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092015092 1205114888 /nfs/dbraw/zinc/11/48/88/1205114888.db2.gz JEVQLJPGGBWMEM-ACJLOTCBSA-N 2 2 361.446 0.150 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)co1 ZINC001092102267 1205159469 /nfs/dbraw/zinc/15/94/69/1205159469.db2.gz ZFVOSBZJSIYNBE-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)co1 ZINC001092102267 1205159470 /nfs/dbraw/zinc/15/94/70/1205159470.db2.gz ZFVOSBZJSIYNBE-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001092145087 1205171073 /nfs/dbraw/zinc/17/10/73/1205171073.db2.gz GIWIKNHQOONNJZ-KDOFPFPSSA-N 2 2 363.462 0.461 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001092145087 1205171077 /nfs/dbraw/zinc/17/10/77/1205171077.db2.gz GIWIKNHQOONNJZ-KDOFPFPSSA-N 2 2 363.462 0.461 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092136661 1205177558 /nfs/dbraw/zinc/17/75/58/1205177558.db2.gz XKNSYVZRAXCQJX-GLJUWKHASA-N 2 2 355.446 0.512 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092136661 1205177560 /nfs/dbraw/zinc/17/75/60/1205177560.db2.gz XKNSYVZRAXCQJX-GLJUWKHASA-N 2 2 355.446 0.512 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092229459 1205202282 /nfs/dbraw/zinc/20/22/82/1205202282.db2.gz QSEJQTAVCGEGLU-KUHUBIRLSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@]2(C)C1 ZINC001092229459 1205202288 /nfs/dbraw/zinc/20/22/88/1205202288.db2.gz QSEJQTAVCGEGLU-KUHUBIRLSA-N 2 2 359.474 0.662 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273940 1205220887 /nfs/dbraw/zinc/22/08/87/1205220887.db2.gz XRLYITLDLXBLHJ-FCEWJHQRSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273940 1205220888 /nfs/dbraw/zinc/22/08/88/1205220888.db2.gz XRLYITLDLXBLHJ-FCEWJHQRSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273940 1205220891 /nfs/dbraw/zinc/22/08/91/1205220891.db2.gz XRLYITLDLXBLHJ-FCEWJHQRSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273940 1205220893 /nfs/dbraw/zinc/22/08/93/1205220893.db2.gz XRLYITLDLXBLHJ-FCEWJHQRSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273941 1205221492 /nfs/dbraw/zinc/22/14/92/1205221492.db2.gz XRLYITLDLXBLHJ-MDZRGWNJSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273941 1205221494 /nfs/dbraw/zinc/22/14/94/1205221494.db2.gz XRLYITLDLXBLHJ-MDZRGWNJSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273941 1205221496 /nfs/dbraw/zinc/22/14/96/1205221496.db2.gz XRLYITLDLXBLHJ-MDZRGWNJSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273941 1205221499 /nfs/dbraw/zinc/22/14/99/1205221499.db2.gz XRLYITLDLXBLHJ-MDZRGWNJSA-N 2 2 360.506 0.838 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)n1 ZINC001092299699 1205233306 /nfs/dbraw/zinc/23/33/06/1205233306.db2.gz FNTPXZPPADSCSY-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@]3(C)C2)n1 ZINC001092299699 1205233307 /nfs/dbraw/zinc/23/33/07/1205233307.db2.gz FNTPXZPPADSCSY-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cc1nccc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2c[nH+]cn2C)n1 ZINC001092314407 1205243914 /nfs/dbraw/zinc/24/39/14/1205243914.db2.gz GSYNXHGLIIMPOI-HUUCEWRRSA-N 2 2 357.462 0.877 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291949 1205255507 /nfs/dbraw/zinc/25/55/07/1205255507.db2.gz KHELSWWWUAAFKR-MDZRGWNJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291949 1205255509 /nfs/dbraw/zinc/25/55/09/1205255509.db2.gz KHELSWWWUAAFKR-MDZRGWNJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291949 1205255512 /nfs/dbraw/zinc/25/55/12/1205255512.db2.gz KHELSWWWUAAFKR-MDZRGWNJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291949 1205255515 /nfs/dbraw/zinc/25/55/15/1205255515.db2.gz KHELSWWWUAAFKR-MDZRGWNJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291948 1205255925 /nfs/dbraw/zinc/25/59/25/1205255925.db2.gz KHELSWWWUAAFKR-GJYPPUQNSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291948 1205255932 /nfs/dbraw/zinc/25/59/32/1205255932.db2.gz KHELSWWWUAAFKR-GJYPPUQNSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291948 1205255935 /nfs/dbraw/zinc/25/59/35/1205255935.db2.gz KHELSWWWUAAFKR-GJYPPUQNSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@@]3(C)C2)C1 ZINC001092291948 1205255941 /nfs/dbraw/zinc/25/59/41/1205255941.db2.gz KHELSWWWUAAFKR-GJYPPUQNSA-N 2 2 362.474 0.984 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C)[NH+](C)C ZINC001092387131 1205270401 /nfs/dbraw/zinc/27/04/01/1205270401.db2.gz QLDNWJOPSVNBEW-UMVBOHGHSA-N 2 2 359.478 0.892 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504173 1205296825 /nfs/dbraw/zinc/29/68/25/1205296825.db2.gz IOZMYHZENIRFLU-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504173 1205296828 /nfs/dbraw/zinc/29/68/28/1205296828.db2.gz IOZMYHZENIRFLU-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504173 1205296835 /nfs/dbraw/zinc/29/68/35/1205296835.db2.gz IOZMYHZENIRFLU-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504173 1205296840 /nfs/dbraw/zinc/29/68/40/1205296840.db2.gz IOZMYHZENIRFLU-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)nn1C ZINC001092725513 1205346081 /nfs/dbraw/zinc/34/60/81/1205346081.db2.gz ONOFBIZMLBPLJH-GFOCRRMGSA-N 2 2 363.506 0.632 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)nn1C ZINC001092725513 1205346083 /nfs/dbraw/zinc/34/60/83/1205346083.db2.gz ONOFBIZMLBPLJH-GFOCRRMGSA-N 2 2 363.506 0.632 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)nn1C ZINC001092725513 1205346084 /nfs/dbraw/zinc/34/60/84/1205346084.db2.gz ONOFBIZMLBPLJH-GFOCRRMGSA-N 2 2 363.506 0.632 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)nn1C ZINC001092725513 1205346087 /nfs/dbraw/zinc/34/60/87/1205346087.db2.gz ONOFBIZMLBPLJH-GFOCRRMGSA-N 2 2 363.506 0.632 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753359 1205351922 /nfs/dbraw/zinc/35/19/22/1205351922.db2.gz IKXZLWLTRNVSNO-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753359 1205351927 /nfs/dbraw/zinc/35/19/27/1205351927.db2.gz IKXZLWLTRNVSNO-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910639 1205941056 /nfs/dbraw/zinc/94/10/56/1205941056.db2.gz HRCSRPFGHCDAQC-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910639 1205941057 /nfs/dbraw/zinc/94/10/57/1205941057.db2.gz HRCSRPFGHCDAQC-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910639 1205941059 /nfs/dbraw/zinc/94/10/59/1205941059.db2.gz HRCSRPFGHCDAQC-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910639 1205941061 /nfs/dbraw/zinc/94/10/61/1205941061.db2.gz HRCSRPFGHCDAQC-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cn(C)nn3)C[C@H]1C)CC2 ZINC001092919231 1205945124 /nfs/dbraw/zinc/94/51/24/1205945124.db2.gz GNSIXNPKSKEUFG-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3cn(C)nn3)C[C@H]1C)CC2 ZINC001092919231 1205945129 /nfs/dbraw/zinc/94/51/29/1205945129.db2.gz GNSIXNPKSKEUFG-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978509 1205965205 /nfs/dbraw/zinc/96/52/05/1205965205.db2.gz OHPPACZYLURUGT-KLHDSHLOSA-N 2 2 357.462 0.499 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978509 1205965208 /nfs/dbraw/zinc/96/52/08/1205965208.db2.gz OHPPACZYLURUGT-KLHDSHLOSA-N 2 2 357.462 0.499 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3C)[C@@H](O)C2)o1 ZINC001220548001 1224920241 /nfs/dbraw/zinc/92/02/41/1224920241.db2.gz RDLGPGCFHZZEFW-CVEARBPZSA-N 2 2 361.446 0.938 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3C)[C@@H](O)C2)o1 ZINC001220548001 1224920249 /nfs/dbraw/zinc/92/02/49/1224920249.db2.gz RDLGPGCFHZZEFW-CVEARBPZSA-N 2 2 361.446 0.938 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195426 1206053446 /nfs/dbraw/zinc/05/34/46/1206053446.db2.gz QWXBRPMNPMQGAB-FVQBIDKESA-N 2 2 360.506 0.828 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195426 1206053449 /nfs/dbraw/zinc/05/34/49/1206053449.db2.gz QWXBRPMNPMQGAB-FVQBIDKESA-N 2 2 360.506 0.828 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195426 1206053455 /nfs/dbraw/zinc/05/34/55/1206053455.db2.gz QWXBRPMNPMQGAB-FVQBIDKESA-N 2 2 360.506 0.828 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195426 1206053458 /nfs/dbraw/zinc/05/34/58/1206053458.db2.gz QWXBRPMNPMQGAB-FVQBIDKESA-N 2 2 360.506 0.828 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224907 1206063029 /nfs/dbraw/zinc/06/30/29/1206063029.db2.gz GGQNXKDBGYOMOE-GDBMZVCRSA-N 2 2 371.489 0.770 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001093224907 1206063031 /nfs/dbraw/zinc/06/30/31/1206063031.db2.gz GGQNXKDBGYOMOE-GDBMZVCRSA-N 2 2 371.489 0.770 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093278688 1206070597 /nfs/dbraw/zinc/07/05/97/1206070597.db2.gz UQBXRDPXIQFSSB-NFAWXSAZSA-N 2 2 361.446 0.222 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093278688 1206070601 /nfs/dbraw/zinc/07/06/01/1206070601.db2.gz UQBXRDPXIQFSSB-NFAWXSAZSA-N 2 2 361.446 0.222 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001093280266 1206071091 /nfs/dbraw/zinc/07/10/91/1206071091.db2.gz MNHXSEHXTLVVBF-IIAWOOMASA-N 2 2 360.458 0.595 20 0 FCADLP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093281937 1206071907 /nfs/dbraw/zinc/07/19/07/1206071907.db2.gz WMQFAMLPPWLWSI-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1 ZINC001093334703 1206075605 /nfs/dbraw/zinc/07/56/05/1206075605.db2.gz KBQGFPMUUGINEV-HZPDHXFCSA-N 2 2 355.446 0.698 20 0 FCADLP CO[C@@H](C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545591 1206091751 /nfs/dbraw/zinc/09/17/51/1206091751.db2.gz MADBUVRDVZPSDC-HDMKZQKVSA-N 2 2 369.506 0.432 20 0 FCADLP CO[C@@H](C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545591 1206091754 /nfs/dbraw/zinc/09/17/54/1206091754.db2.gz MADBUVRDVZPSDC-HDMKZQKVSA-N 2 2 369.506 0.432 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)n1C ZINC001093742680 1206114652 /nfs/dbraw/zinc/11/46/52/1206114652.db2.gz IMDKKWOMGRRHSV-ZIAGYGMSSA-N 2 2 359.478 0.918 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093784339 1206115413 /nfs/dbraw/zinc/11/54/13/1206115413.db2.gz BEHWPDOSHHJXAH-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093784646 1206115440 /nfs/dbraw/zinc/11/54/40/1206115440.db2.gz KTEGTNHRQCDUHL-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093871743 1206138323 /nfs/dbraw/zinc/13/83/23/1206138323.db2.gz UKSSBAVWDFDCHG-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001093873320 1206139412 /nfs/dbraw/zinc/13/94/12/1206139412.db2.gz KETUAQSVHLWODB-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C)nn1 ZINC001093874027 1206139919 /nfs/dbraw/zinc/13/99/19/1206139919.db2.gz VPIHZPPHSOJKKK-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093874251 1206140052 /nfs/dbraw/zinc/14/00/52/1206140052.db2.gz ZGDDJZGAGXMJBB-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093913701 1206147318 /nfs/dbraw/zinc/14/73/18/1206147318.db2.gz CMGROAKJAJTCGM-MCIONIFRSA-N 2 2 369.425 0.437 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001093913410 1206147521 /nfs/dbraw/zinc/14/75/21/1206147521.db2.gz OZZRXKMQQPZNEM-RBSFLKMASA-N 2 2 355.442 0.863 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)C1=O ZINC001093933937 1206161937 /nfs/dbraw/zinc/16/19/37/1206161937.db2.gz CVUOMSHUDJKWTG-OAGGEKHMSA-N 2 2 361.490 0.658 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094111150 1206185925 /nfs/dbraw/zinc/18/59/25/1206185925.db2.gz ZXCXTWPOOKFXCM-HUUCEWRRSA-N 2 2 365.478 0.538 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)[C@H](C)C1 ZINC001094190056 1206204898 /nfs/dbraw/zinc/20/48/98/1206204898.db2.gz WXBYUDLMODQTOB-YUELXQCFSA-N 2 2 357.462 0.724 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001094253939 1206211302 /nfs/dbraw/zinc/21/13/02/1206211302.db2.gz NIWIRQHLPNOKTB-HZSPNIEDSA-N 2 2 362.434 0.858 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384950 1206222755 /nfs/dbraw/zinc/22/27/55/1206222755.db2.gz SVHZLGHNIGQVRN-JFIYKMOQSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384950 1206222756 /nfs/dbraw/zinc/22/27/56/1206222756.db2.gz SVHZLGHNIGQVRN-JFIYKMOQSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nonc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384950 1206222757 /nfs/dbraw/zinc/22/27/57/1206222757.db2.gz SVHZLGHNIGQVRN-JFIYKMOQSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nonc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384950 1206222758 /nfs/dbraw/zinc/22/27/58/1206222758.db2.gz SVHZLGHNIGQVRN-JFIYKMOQSA-N 2 2 363.462 0.569 20 0 FCADLP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173570485 1206281018 /nfs/dbraw/zinc/28/10/18/1206281018.db2.gz FRTOQVHSRUWLAC-ZSOGYDGISA-N 2 2 370.446 0.474 20 0 FCADLP C[NH+]1CCN(c2cc(Nc3cnn(CC[NH+]4CCOCC4)c3)ncn2)CC1 ZINC001174489383 1206294439 /nfs/dbraw/zinc/29/44/39/1206294439.db2.gz DBNYDOBODIVXEQ-UHFFFAOYSA-N 2 2 372.477 0.501 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220573059 1224942086 /nfs/dbraw/zinc/94/20/86/1224942086.db2.gz OYAKDNWAHVAHAG-SOLBZPMBSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220573059 1224942092 /nfs/dbraw/zinc/94/20/92/1224942092.db2.gz OYAKDNWAHVAHAG-SOLBZPMBSA-N 2 2 370.538 0.383 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001176354366 1206313140 /nfs/dbraw/zinc/31/31/40/1206313140.db2.gz MQZWFFPENLFJMY-QGZVFWFLSA-N 2 2 370.457 0.946 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001176354366 1206313142 /nfs/dbraw/zinc/31/31/42/1206313142.db2.gz MQZWFFPENLFJMY-QGZVFWFLSA-N 2 2 370.457 0.946 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001176356040 1206313356 /nfs/dbraw/zinc/31/33/56/1206313356.db2.gz WFNCSSGBPBVNFS-MRXNPFEDSA-N 2 2 356.430 0.509 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001176356040 1206313357 /nfs/dbraw/zinc/31/33/57/1206313357.db2.gz WFNCSSGBPBVNFS-MRXNPFEDSA-N 2 2 356.430 0.509 20 0 FCADLP O=C(CCn1cc[nH+]c1)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001176877338 1206324181 /nfs/dbraw/zinc/32/41/81/1206324181.db2.gz AQMNEDHADMEMHN-UHFFFAOYSA-N 2 2 366.429 0.986 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001177093904 1206330440 /nfs/dbraw/zinc/33/04/40/1206330440.db2.gz YBGFGIRUBNRSGZ-LBPRGKRZSA-N 2 2 361.406 0.321 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001177093904 1206330443 /nfs/dbraw/zinc/33/04/43/1206330443.db2.gz YBGFGIRUBNRSGZ-LBPRGKRZSA-N 2 2 361.406 0.321 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001178101556 1206352525 /nfs/dbraw/zinc/35/25/25/1206352525.db2.gz BTSGGRPIHMIXPI-HNNXBMFYSA-N 2 2 359.474 0.649 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001178101556 1206352528 /nfs/dbraw/zinc/35/25/28/1206352528.db2.gz BTSGGRPIHMIXPI-HNNXBMFYSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001178752122 1206364736 /nfs/dbraw/zinc/36/47/36/1206364736.db2.gz GKVDHXQSNTYNJY-JHJVBQTASA-N 2 2 364.450 0.363 20 0 FCADLP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001178752122 1206364739 /nfs/dbraw/zinc/36/47/39/1206364739.db2.gz GKVDHXQSNTYNJY-JHJVBQTASA-N 2 2 364.450 0.363 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180579880 1206396158 /nfs/dbraw/zinc/39/61/58/1206396158.db2.gz PMRWLBIVNNXDHE-MDZRGWNJSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180579879 1206396229 /nfs/dbraw/zinc/39/62/29/1206396229.db2.gz PMRWLBIVNNXDHE-GJYPPUQNSA-N 2 2 367.490 0.726 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)C1 ZINC001180757929 1206398244 /nfs/dbraw/zinc/39/82/44/1206398244.db2.gz IIIDDZSJVKXBDD-MRXNPFEDSA-N 2 2 370.457 0.288 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)C1 ZINC001180757929 1206398245 /nfs/dbraw/zinc/39/82/45/1206398245.db2.gz IIIDDZSJVKXBDD-MRXNPFEDSA-N 2 2 370.457 0.288 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001180758197 1206398916 /nfs/dbraw/zinc/39/89/16/1206398916.db2.gz AGDBNNFGQUNNMJ-LPHOPBHVSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180758197 1206398917 /nfs/dbraw/zinc/39/89/17/1206398917.db2.gz AGDBNNFGQUNNMJ-LPHOPBHVSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758197 1206398919 /nfs/dbraw/zinc/39/89/19/1206398919.db2.gz AGDBNNFGQUNNMJ-LPHOPBHVSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758197 1206398921 /nfs/dbraw/zinc/39/89/21/1206398921.db2.gz AGDBNNFGQUNNMJ-LPHOPBHVSA-N 2 2 361.442 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]Cc1cnnn1C ZINC001182669843 1206440850 /nfs/dbraw/zinc/44/08/50/1206440850.db2.gz ZFVKARZPRCAMLP-NVQRDWNXSA-N 2 2 371.489 0.927 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001182837996 1206444652 /nfs/dbraw/zinc/44/46/52/1206444652.db2.gz IKLQTLFEQSGFAI-KRWDZBQOSA-N 2 2 360.506 0.455 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001182837996 1206444654 /nfs/dbraw/zinc/44/46/54/1206444654.db2.gz IKLQTLFEQSGFAI-KRWDZBQOSA-N 2 2 360.506 0.455 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188932559 1207489401 /nfs/dbraw/zinc/48/94/01/1207489401.db2.gz ZRPKOOMMVXCWPB-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188932559 1207489408 /nfs/dbraw/zinc/48/94/08/1207489408.db2.gz ZRPKOOMMVXCWPB-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189660545 1207584913 /nfs/dbraw/zinc/58/49/13/1207584913.db2.gz VLCUTCDFRPOBGT-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189660545 1207584920 /nfs/dbraw/zinc/58/49/20/1207584920.db2.gz VLCUTCDFRPOBGT-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189660545 1207584929 /nfs/dbraw/zinc/58/49/29/1207584929.db2.gz VLCUTCDFRPOBGT-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189660545 1207584936 /nfs/dbraw/zinc/58/49/36/1207584936.db2.gz VLCUTCDFRPOBGT-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189810947 1207603403 /nfs/dbraw/zinc/60/34/03/1207603403.db2.gz OHHRFTVNNUZLHQ-GOEBONIOSA-N 2 2 363.462 0.096 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189810947 1207603416 /nfs/dbraw/zinc/60/34/16/1207603416.db2.gz OHHRFTVNNUZLHQ-GOEBONIOSA-N 2 2 363.462 0.096 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001189810618 1207604009 /nfs/dbraw/zinc/60/40/09/1207604009.db2.gz CRQLIKVSTOUYCG-MAUKXSAKSA-N 2 2 361.490 0.440 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001189810618 1207604018 /nfs/dbraw/zinc/60/40/18/1207604018.db2.gz CRQLIKVSTOUYCG-MAUKXSAKSA-N 2 2 361.490 0.440 20 0 FCADLP O=C(N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2)C12CC[NH+](CC1)CC2 ZINC001273590030 1207622703 /nfs/dbraw/zinc/62/27/03/1207622703.db2.gz XCKDRORLFHDFMD-CALCHBBNSA-N 2 2 359.474 0.281 20 0 FCADLP O=C(N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2)C12CC[NH+](CC1)CC2 ZINC001273590030 1207622707 /nfs/dbraw/zinc/62/27/07/1207622707.db2.gz XCKDRORLFHDFMD-CALCHBBNSA-N 2 2 359.474 0.281 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001190176066 1207657317 /nfs/dbraw/zinc/65/73/17/1207657317.db2.gz ATQOQWAHNIQFGR-XOKHGSTOSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001190176066 1207657327 /nfs/dbraw/zinc/65/73/27/1207657327.db2.gz ATQOQWAHNIQFGR-XOKHGSTOSA-N 2 2 359.474 0.639 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190480932 1207687116 /nfs/dbraw/zinc/68/71/16/1207687116.db2.gz MQRVAYSLEQHOEN-RRFJBIMHSA-N 2 2 359.430 0.001 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190480932 1207687119 /nfs/dbraw/zinc/68/71/19/1207687119.db2.gz MQRVAYSLEQHOEN-RRFJBIMHSA-N 2 2 359.430 0.001 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001190486313 1207687813 /nfs/dbraw/zinc/68/78/13/1207687813.db2.gz ATYCPOGEDJPUSV-GVDBMIGSSA-N 2 2 369.473 0.975 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001190486313 1207687819 /nfs/dbraw/zinc/68/78/19/1207687819.db2.gz ATYCPOGEDJPUSV-GVDBMIGSSA-N 2 2 369.473 0.975 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014971 1207816140 /nfs/dbraw/zinc/81/61/40/1207816140.db2.gz ZIYMOOUVWNBMIR-GUDVDZBRSA-N 2 2 361.486 0.501 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014971 1207816141 /nfs/dbraw/zinc/81/61/41/1207816141.db2.gz ZIYMOOUVWNBMIR-GUDVDZBRSA-N 2 2 361.486 0.501 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014971 1207816146 /nfs/dbraw/zinc/81/61/46/1207816146.db2.gz ZIYMOOUVWNBMIR-GUDVDZBRSA-N 2 2 361.486 0.501 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193446950 1207872814 /nfs/dbraw/zinc/87/28/14/1207872814.db2.gz FDEKNPXGUSVYFE-DJIMGWMZSA-N 2 2 370.469 0.887 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193780858 1207888296 /nfs/dbraw/zinc/88/82/96/1207888296.db2.gz GORDIXGXXDQWIP-RKVPGOIHSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193780858 1207888298 /nfs/dbraw/zinc/88/82/98/1207888298.db2.gz GORDIXGXXDQWIP-RKVPGOIHSA-N 2 2 364.490 0.937 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001193892918 1207897841 /nfs/dbraw/zinc/89/78/41/1207897841.db2.gz VZULOLIPZDZTLA-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001193892918 1207897843 /nfs/dbraw/zinc/89/78/43/1207897843.db2.gz VZULOLIPZDZTLA-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001193892918 1207897844 /nfs/dbraw/zinc/89/78/44/1207897844.db2.gz VZULOLIPZDZTLA-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001193892918 1207897845 /nfs/dbraw/zinc/89/78/45/1207897845.db2.gz VZULOLIPZDZTLA-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001194102177 1207918862 /nfs/dbraw/zinc/91/88/62/1207918862.db2.gz DFDYPRSVRCMIBK-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001194102177 1207918866 /nfs/dbraw/zinc/91/88/66/1207918866.db2.gz DFDYPRSVRCMIBK-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321521 1207932152 /nfs/dbraw/zinc/93/21/52/1207932152.db2.gz ZJUYYTWJAAJCMV-HZPDHXFCSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321521 1207932154 /nfs/dbraw/zinc/93/21/54/1207932154.db2.gz ZJUYYTWJAAJCMV-HZPDHXFCSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321521 1207932156 /nfs/dbraw/zinc/93/21/56/1207932156.db2.gz ZJUYYTWJAAJCMV-HZPDHXFCSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321521 1207932159 /nfs/dbraw/zinc/93/21/59/1207932159.db2.gz ZJUYYTWJAAJCMV-HZPDHXFCSA-N 2 2 368.522 0.279 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289224 1207934742 /nfs/dbraw/zinc/93/47/42/1207934742.db2.gz DOYIPSHRUZFAJB-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289224 1207934744 /nfs/dbraw/zinc/93/47/44/1207934744.db2.gz DOYIPSHRUZFAJB-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194998161 1207988834 /nfs/dbraw/zinc/98/88/34/1207988834.db2.gz YQQDTKNIMHMEPA-USXIJHARSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194998161 1207988836 /nfs/dbraw/zinc/98/88/36/1207988836.db2.gz YQQDTKNIMHMEPA-USXIJHARSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194998161 1207988838 /nfs/dbraw/zinc/98/88/38/1207988838.db2.gz YQQDTKNIMHMEPA-USXIJHARSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194998161 1207988840 /nfs/dbraw/zinc/98/88/40/1207988840.db2.gz YQQDTKNIMHMEPA-USXIJHARSA-N 2 2 368.522 0.279 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640751 1208030896 /nfs/dbraw/zinc/03/08/96/1208030896.db2.gz MULHWZHXMGXFFJ-KBAYOESNSA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640751 1208030899 /nfs/dbraw/zinc/03/08/99/1208030899.db2.gz MULHWZHXMGXFFJ-KBAYOESNSA-N 2 2 364.490 0.732 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195701870 1208035732 /nfs/dbraw/zinc/03/57/32/1208035732.db2.gz RINQZZZKYWQVHA-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195701870 1208035734 /nfs/dbraw/zinc/03/57/34/1208035734.db2.gz RINQZZZKYWQVHA-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708748 1208036850 /nfs/dbraw/zinc/03/68/50/1208036850.db2.gz SXGBYLBVVMHNNW-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708748 1208036854 /nfs/dbraw/zinc/03/68/54/1208036854.db2.gz SXGBYLBVVMHNNW-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1O ZINC001195859015 1208041271 /nfs/dbraw/zinc/04/12/71/1208041271.db2.gz AXGPQZQVBASLBG-RTBURBONSA-N 2 2 371.485 0.544 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1O ZINC001195859015 1208041275 /nfs/dbraw/zinc/04/12/75/1208041275.db2.gz AXGPQZQVBASLBG-RTBURBONSA-N 2 2 371.485 0.544 20 0 FCADLP Cc1c[nH]nc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001195893642 1208043529 /nfs/dbraw/zinc/04/35/29/1208043529.db2.gz ARNKREPERAWYRQ-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP Cc1c[nH]nc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001195893642 1208043535 /nfs/dbraw/zinc/04/35/35/1208043535.db2.gz ARNKREPERAWYRQ-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)C2)o1 ZINC001196306711 1208071032 /nfs/dbraw/zinc/07/10/32/1208071032.db2.gz GYPNNIQOOPZPPK-IAOVAPTHSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)C2)o1 ZINC001196306711 1208071035 /nfs/dbraw/zinc/07/10/35/1208071035.db2.gz GYPNNIQOOPZPPK-IAOVAPTHSA-N 2 2 366.462 0.145 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)cn1 ZINC001196501360 1208090159 /nfs/dbraw/zinc/09/01/59/1208090159.db2.gz XPAQFKMFSCMJNK-USXIJHARSA-N 2 2 360.462 0.455 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)cn1 ZINC001196501360 1208090161 /nfs/dbraw/zinc/09/01/61/1208090161.db2.gz XPAQFKMFSCMJNK-USXIJHARSA-N 2 2 360.462 0.455 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645837 1208096865 /nfs/dbraw/zinc/09/68/65/1208096865.db2.gz TYLSOTIROUUCNR-DJIMGWMZSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645837 1208096868 /nfs/dbraw/zinc/09/68/68/1208096868.db2.gz TYLSOTIROUUCNR-DJIMGWMZSA-N 2 2 368.522 0.137 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920099 1208118196 /nfs/dbraw/zinc/11/81/96/1208118196.db2.gz QXYAIYWVCPJEIS-IAGOWNOFSA-N 2 2 361.446 0.938 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920099 1208118199 /nfs/dbraw/zinc/11/81/99/1208118199.db2.gz QXYAIYWVCPJEIS-IAGOWNOFSA-N 2 2 361.446 0.938 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196925023 1208118666 /nfs/dbraw/zinc/11/86/66/1208118666.db2.gz HTJKAQJTRMCXBQ-IAGOWNOFSA-N 2 2 360.462 0.375 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196925023 1208118669 /nfs/dbraw/zinc/11/86/69/1208118669.db2.gz HTJKAQJTRMCXBQ-IAGOWNOFSA-N 2 2 360.462 0.375 20 0 FCADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953308 1208124813 /nfs/dbraw/zinc/12/48/13/1208124813.db2.gz CBAYCURWLCJHSX-ZTFGCOKTSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953308 1208124815 /nfs/dbraw/zinc/12/48/15/1208124815.db2.gz CBAYCURWLCJHSX-ZTFGCOKTSA-N 2 2 365.449 0.770 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001197001077 1208128887 /nfs/dbraw/zinc/12/88/87/1208128887.db2.gz RVSYKUMMLHZMOO-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001197001077 1208128891 /nfs/dbraw/zinc/12/88/91/1208128891.db2.gz RVSYKUMMLHZMOO-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001197001077 1208128894 /nfs/dbraw/zinc/12/88/94/1208128894.db2.gz RVSYKUMMLHZMOO-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001197001077 1208128897 /nfs/dbraw/zinc/12/88/97/1208128897.db2.gz RVSYKUMMLHZMOO-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O)C(C)C ZINC001197026083 1208133303 /nfs/dbraw/zinc/13/33/03/1208133303.db2.gz ZAJYUKZCZBTTLE-KZNAEPCWSA-N 2 2 365.522 0.756 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O)C(C)C ZINC001197026083 1208133307 /nfs/dbraw/zinc/13/33/07/1208133307.db2.gz ZAJYUKZCZBTTLE-KZNAEPCWSA-N 2 2 365.522 0.756 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001197140120 1208138677 /nfs/dbraw/zinc/13/86/77/1208138677.db2.gz SCEWNCFYTHZGIN-RCCFBDPRSA-N 2 2 369.506 0.075 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001197140120 1208138683 /nfs/dbraw/zinc/13/86/83/1208138683.db2.gz SCEWNCFYTHZGIN-RCCFBDPRSA-N 2 2 369.506 0.075 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197403162 1208159764 /nfs/dbraw/zinc/15/97/64/1208159764.db2.gz FFCLKEBVLYGVEM-DJIMGWMZSA-N 2 2 368.522 0.183 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197403162 1208159767 /nfs/dbraw/zinc/15/97/67/1208159767.db2.gz FFCLKEBVLYGVEM-DJIMGWMZSA-N 2 2 368.522 0.183 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220740362 1225046853 /nfs/dbraw/zinc/04/68/53/1225046853.db2.gz GGQOPGPKWOVOLZ-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220740362 1225046861 /nfs/dbraw/zinc/04/68/61/1225046861.db2.gz GGQOPGPKWOVOLZ-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001197723031 1208190532 /nfs/dbraw/zinc/19/05/32/1208190532.db2.gz CQXNMDXHZRWHHQ-IAGOWNOFSA-N 2 2 368.522 0.329 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001197723031 1208190537 /nfs/dbraw/zinc/19/05/37/1208190537.db2.gz CQXNMDXHZRWHHQ-IAGOWNOFSA-N 2 2 368.522 0.329 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197793025 1208197308 /nfs/dbraw/zinc/19/73/08/1208197308.db2.gz WJUATVFTILEVIC-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197793025 1208197311 /nfs/dbraw/zinc/19/73/11/1208197311.db2.gz WJUATVFTILEVIC-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197793025 1208197313 /nfs/dbraw/zinc/19/73/13/1208197313.db2.gz WJUATVFTILEVIC-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197793025 1208197315 /nfs/dbraw/zinc/19/73/15/1208197315.db2.gz WJUATVFTILEVIC-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220750077 1225051920 /nfs/dbraw/zinc/05/19/20/1225051920.db2.gz JZCOGELYMRKZHW-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926111 1208206060 /nfs/dbraw/zinc/20/60/60/1208206060.db2.gz DMDUFSHNOSSWMN-USXIJHARSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926111 1208206063 /nfs/dbraw/zinc/20/60/63/1208206063.db2.gz DMDUFSHNOSSWMN-USXIJHARSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001198048522 1208213015 /nfs/dbraw/zinc/21/30/15/1208213015.db2.gz XHIVRUZHHSFVKK-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001198048522 1208213019 /nfs/dbraw/zinc/21/30/19/1208213019.db2.gz XHIVRUZHHSFVKK-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001198048522 1208213021 /nfs/dbraw/zinc/21/30/21/1208213021.db2.gz XHIVRUZHHSFVKK-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001198048522 1208213024 /nfs/dbraw/zinc/21/30/24/1208213024.db2.gz XHIVRUZHHSFVKK-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001198048467 1208213143 /nfs/dbraw/zinc/21/31/43/1208213143.db2.gz VRJXKYSXOPDPKH-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001198048467 1208213146 /nfs/dbraw/zinc/21/31/46/1208213146.db2.gz VRJXKYSXOPDPKH-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001198048467 1208213151 /nfs/dbraw/zinc/21/31/51/1208213151.db2.gz VRJXKYSXOPDPKH-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001198048467 1208213154 /nfs/dbraw/zinc/21/31/54/1208213154.db2.gz VRJXKYSXOPDPKH-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)n1 ZINC001198292813 1208235642 /nfs/dbraw/zinc/23/56/42/1208235642.db2.gz RYJADOBDAFUKJC-IAGOWNOFSA-N 2 2 360.462 0.028 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)n1 ZINC001198292813 1208235646 /nfs/dbraw/zinc/23/56/46/1208235646.db2.gz RYJADOBDAFUKJC-IAGOWNOFSA-N 2 2 360.462 0.028 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220750077 1225051911 /nfs/dbraw/zinc/05/19/11/1225051911.db2.gz JZCOGELYMRKZHW-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199057734 1208314725 /nfs/dbraw/zinc/31/47/25/1208314725.db2.gz RSJHRSUOHIHGPY-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199057734 1208314726 /nfs/dbraw/zinc/31/47/26/1208314726.db2.gz RSJHRSUOHIHGPY-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095037 1208317238 /nfs/dbraw/zinc/31/72/38/1208317238.db2.gz CUMNMDHXUKLAGE-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095037 1208317241 /nfs/dbraw/zinc/31/72/41/1208317241.db2.gz CUMNMDHXUKLAGE-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095037 1208317243 /nfs/dbraw/zinc/31/72/43/1208317243.db2.gz CUMNMDHXUKLAGE-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP Cn1cc2c(n1)[C@@H](CNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1)OCC2 ZINC001199360405 1208342908 /nfs/dbraw/zinc/34/29/08/1208342908.db2.gz LODIXUNDJUODRU-QGZVFWFLSA-N 2 2 370.457 0.611 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001199398933 1208348932 /nfs/dbraw/zinc/34/89/32/1208348932.db2.gz ZPZGUXPHCPMUAC-BRWVUGGUSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1O ZINC001199398933 1208348933 /nfs/dbraw/zinc/34/89/33/1208348933.db2.gz ZPZGUXPHCPMUAC-BRWVUGGUSA-N 2 2 366.462 0.020 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220769039 1225062739 /nfs/dbraw/zinc/06/27/39/1225062739.db2.gz HDRULSNFVPOJIM-XUWXXGDYSA-N 2 2 364.446 0.169 20 0 FCADLP C[NH2+][C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001220769423 1225063236 /nfs/dbraw/zinc/06/32/36/1225063236.db2.gz MQUQBFSHVGZQKE-IRXDYDNUSA-N 2 2 374.441 0.425 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569069 1208461550 /nfs/dbraw/zinc/46/15/50/1208461550.db2.gz BWLCTGMTFVFJTP-XDNAFOTISA-N 2 2 362.518 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569069 1208461554 /nfs/dbraw/zinc/46/15/54/1208461554.db2.gz BWLCTGMTFVFJTP-XDNAFOTISA-N 2 2 362.518 0.966 20 0 FCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201736898 1208464063 /nfs/dbraw/zinc/46/40/63/1208464063.db2.gz KJTHQAMFZZGFAF-JQHSSLGASA-N 2 2 369.506 0.482 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C[NH2+]C2 ZINC001220786311 1225072616 /nfs/dbraw/zinc/07/26/16/1225072616.db2.gz USSMLBBGTLWJAL-IIAWOOMASA-N 2 2 355.446 0.347 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799192 1225080154 /nfs/dbraw/zinc/08/01/54/1225080154.db2.gz PUBWERHYDDBEML-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799192 1225080160 /nfs/dbraw/zinc/08/01/60/1225080160.db2.gz PUBWERHYDDBEML-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799224 1225080228 /nfs/dbraw/zinc/08/02/28/1225080228.db2.gz ROQGXEPMUFRDMB-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799224 1225080236 /nfs/dbraw/zinc/08/02/36/1225080236.db2.gz ROQGXEPMUFRDMB-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489199074 1208660042 /nfs/dbraw/zinc/66/00/42/1208660042.db2.gz AIICQSANKFBREY-CABCVRRESA-N 2 2 361.490 0.895 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489199074 1208660048 /nfs/dbraw/zinc/66/00/48/1208660048.db2.gz AIICQSANKFBREY-CABCVRRESA-N 2 2 361.490 0.895 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822474 1225088215 /nfs/dbraw/zinc/08/82/15/1225088215.db2.gz ZWWCXJRBWWPEMP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822474 1225088217 /nfs/dbraw/zinc/08/82/17/1225088217.db2.gz ZWWCXJRBWWPEMP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822474 1225088222 /nfs/dbraw/zinc/08/82/22/1225088222.db2.gz ZWWCXJRBWWPEMP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822474 1225088230 /nfs/dbraw/zinc/08/82/30/1225088230.db2.gz ZWWCXJRBWWPEMP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666221 1209592958 /nfs/dbraw/zinc/59/29/58/1209592958.db2.gz DBALCZDQXUPRFD-XLMAVXFVSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666221 1209592962 /nfs/dbraw/zinc/59/29/62/1209592962.db2.gz DBALCZDQXUPRFD-XLMAVXFVSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000853606755 1209601320 /nfs/dbraw/zinc/60/13/20/1209601320.db2.gz RVCKTBWHSREPBD-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000853606755 1209601327 /nfs/dbraw/zinc/60/13/27/1209601327.db2.gz RVCKTBWHSREPBD-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001110731115 1209762347 /nfs/dbraw/zinc/76/23/47/1209762347.db2.gz ORTVWOJRFQHPHS-IDCNUPLLSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001110731115 1209762349 /nfs/dbraw/zinc/76/23/49/1209762349.db2.gz ORTVWOJRFQHPHS-IDCNUPLLSA-N 2 2 362.474 0.830 20 0 FCADLP OCc1cc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc[nH+]1 ZINC000858418235 1209789754 /nfs/dbraw/zinc/78/97/54/1209789754.db2.gz JEDDHQISUPVDNW-UHFFFAOYSA-N 2 2 356.430 0.527 20 0 FCADLP OCc1cc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc[nH+]1 ZINC000858418235 1209789756 /nfs/dbraw/zinc/78/97/56/1209789756.db2.gz JEDDHQISUPVDNW-UHFFFAOYSA-N 2 2 356.430 0.527 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220969347 1225165248 /nfs/dbraw/zinc/16/52/48/1225165248.db2.gz YFGIHRFAKALRKB-OXQOHEQNSA-N 3 2 369.469 0.755 20 0 FCADLP COc1ccnc(C2(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)CCOCC2)c1 ZINC001220990320 1225176538 /nfs/dbraw/zinc/17/65/38/1225176538.db2.gz HMEXCQQXDLVBPI-IFXJQAMLSA-N 2 2 360.458 0.206 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)cn2)CC1 ZINC000865410104 1209978480 /nfs/dbraw/zinc/97/84/80/1209978480.db2.gz IBDJAJGOMDYNMQ-SFHVURJKSA-N 2 2 371.489 0.894 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C[C@H]4CCCO4)nn3)cn2)CC1 ZINC000865410103 1209978499 /nfs/dbraw/zinc/97/84/99/1209978499.db2.gz IBDJAJGOMDYNMQ-GOSISDBHSA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000866556346 1209998597 /nfs/dbraw/zinc/99/85/97/1209998597.db2.gz RYWYNWSEHIGFCB-YVWKXTFCSA-N 2 2 374.485 0.509 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000866556346 1209998601 /nfs/dbraw/zinc/99/86/01/1209998601.db2.gz RYWYNWSEHIGFCB-YVWKXTFCSA-N 2 2 374.485 0.509 20 0 FCADLP O=C1COC[C@]2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)COCCN12 ZINC000866555506 1209998664 /nfs/dbraw/zinc/99/86/64/1209998664.db2.gz MUZANESSYGLQJK-IBGZPJMESA-N 2 2 360.458 0.263 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002195 1225182053 /nfs/dbraw/zinc/18/20/53/1225182053.db2.gz IZVDOPYGPFKESH-BQFCYCMXSA-N 3 2 356.474 0.984 20 0 FCADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221010886 1225185272 /nfs/dbraw/zinc/18/52/72/1225185272.db2.gz SLOSRBFJLAHAFU-LSDHHAIUSA-N 2 2 357.462 0.486 20 0 FCADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221010886 1225185277 /nfs/dbraw/zinc/18/52/77/1225185277.db2.gz SLOSRBFJLAHAFU-LSDHHAIUSA-N 2 2 357.462 0.486 20 0 FCADLP CC1=C(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)Cn2nnnc2N1C ZINC000870667022 1210115806 /nfs/dbraw/zinc/11/58/06/1210115806.db2.gz PUXWKGYWHBWFTN-UHFFFAOYSA-N 2 2 369.433 0.182 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000872192566 1210176862 /nfs/dbraw/zinc/17/68/62/1210176862.db2.gz JAEAOILWUGWSKX-IAGOWNOFSA-N 2 2 362.449 0.981 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062550 1225205216 /nfs/dbraw/zinc/20/52/16/1225205216.db2.gz SFBGBYXYTDENHP-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062550 1225205221 /nfs/dbraw/zinc/20/52/21/1225205221.db2.gz SFBGBYXYTDENHP-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001221060642 1225203659 /nfs/dbraw/zinc/20/36/59/1225203659.db2.gz INUKHHVUDWEKLY-IAGOWNOFSA-N 2 2 374.485 0.502 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001221060642 1225203665 /nfs/dbraw/zinc/20/36/65/1225203665.db2.gz INUKHHVUDWEKLY-IAGOWNOFSA-N 2 2 374.485 0.502 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1 ZINC001221060885 1225203720 /nfs/dbraw/zinc/20/37/20/1225203720.db2.gz SDIUEBRZFUDITK-QGZVFWFLSA-N 2 2 356.426 0.700 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000876644904 1210422245 /nfs/dbraw/zinc/42/22/45/1210422245.db2.gz DUOZGSZANHUBRC-QGZVFWFLSA-N 2 2 364.494 0.347 20 0 FCADLP O=C(CCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000877278631 1210442527 /nfs/dbraw/zinc/44/25/27/1210442527.db2.gz VIPSKBUABYZHTI-IAGOWNOFSA-N 2 2 371.485 0.863 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785955 1210466051 /nfs/dbraw/zinc/46/60/51/1210466051.db2.gz XLWHSPYFSLDLQV-WBVHZDCISA-N 2 2 362.474 0.741 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785955 1210466054 /nfs/dbraw/zinc/46/60/54/1210466054.db2.gz XLWHSPYFSLDLQV-WBVHZDCISA-N 2 2 362.474 0.741 20 0 FCADLP Cn1cc(N2CCC[C@H]([NH+]3CCC(N4CC[NH+](C)CC4)CC3)C2=O)cn1 ZINC000879591934 1210490597 /nfs/dbraw/zinc/49/05/97/1210490597.db2.gz BBQLWJWQAHDXBB-SFHVURJKSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1 ZINC000880297354 1210525157 /nfs/dbraw/zinc/52/51/57/1210525157.db2.gz MCJOCCLKJINUKY-CYBMUJFWSA-N 2 2 361.425 0.303 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001221087440 1225216588 /nfs/dbraw/zinc/21/65/88/1225216588.db2.gz LGRHHVXORPMQHK-SQNIBIBYSA-N 2 2 357.458 0.347 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001221087440 1225216593 /nfs/dbraw/zinc/21/65/93/1225216593.db2.gz LGRHHVXORPMQHK-SQNIBIBYSA-N 2 2 357.458 0.347 20 0 FCADLP C[C@@H]([NH3+])c1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000881093588 1210568313 /nfs/dbraw/zinc/56/83/13/1210568313.db2.gz CFQXIRUSXGIFIE-CQSZACIVSA-N 2 2 358.446 0.446 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCn2cc(C[C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000881342950 1210586065 /nfs/dbraw/zinc/58/60/65/1210586065.db2.gz GBUTYOWABBOCEJ-HNNXBMFYSA-N 2 2 364.494 0.983 20 0 FCADLP CN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C1CC1 ZINC001202552753 1210650867 /nfs/dbraw/zinc/65/08/67/1210650867.db2.gz RJUFANZLLJXNJT-HZPDHXFCSA-N 2 2 359.474 0.725 20 0 FCADLP O=C(OCCC[NH+]1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000800218254 1210713704 /nfs/dbraw/zinc/71/37/04/1210713704.db2.gz NGJWMWFWFOSNAJ-KRWDZBQOSA-N 2 2 367.490 0.586 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884307208 1210729052 /nfs/dbraw/zinc/72/90/52/1210729052.db2.gz BSRMTCWCYXDRKJ-KRWDZBQOSA-N 2 2 372.469 0.973 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884307208 1210729057 /nfs/dbraw/zinc/72/90/57/1210729057.db2.gz BSRMTCWCYXDRKJ-KRWDZBQOSA-N 2 2 372.469 0.973 20 0 FCADLP CCN(C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000884600807 1210759939 /nfs/dbraw/zinc/75/99/39/1210759939.db2.gz PLDZNBFFTFMNKF-SFHVURJKSA-N 2 2 373.501 0.135 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884627455 1210766735 /nfs/dbraw/zinc/76/67/35/1210766735.db2.gz QKEIKPCCSBKRDG-IBGZPJMESA-N 2 2 359.474 0.992 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884682675 1210779951 /nfs/dbraw/zinc/77/99/51/1210779951.db2.gz HWBBWJDLZWLCHI-SJORKVTESA-N 2 2 355.442 0.999 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[NH2+]1 ZINC000884718695 1210787583 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C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)CCCC1 ZINC001110862569 1211002356 /nfs/dbraw/zinc/00/23/56/1211002356.db2.gz XBFZEBAZVHLRQT-MCIONIFRSA-N 2 2 365.478 0.167 20 0 FCADLP C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)CC1 ZINC001274402644 1211045203 /nfs/dbraw/zinc/04/52/03/1211045203.db2.gz VRDUCIQTQROTBK-CALCHBBNSA-N 2 2 361.490 0.527 20 0 FCADLP C[NH+]1CCC(C)(C(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)CC1 ZINC001274402644 1211045206 /nfs/dbraw/zinc/04/52/06/1211045206.db2.gz VRDUCIQTQROTBK-CALCHBBNSA-N 2 2 361.490 0.527 20 0 FCADLP CCC[NH+](CCC)CC(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274471412 1211062044 /nfs/dbraw/zinc/06/20/44/1211062044.db2.gz IVHBUQOCTFSGPS-ROUUACIJSA-N 2 2 363.506 0.917 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172431 1211189078 /nfs/dbraw/zinc/18/90/78/1211189078.db2.gz WZWGIMJEMAYOKE-BBWFWOEESA-N 2 2 360.506 0.182 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172431 1211189079 /nfs/dbraw/zinc/18/90/79/1211189079.db2.gz WZWGIMJEMAYOKE-BBWFWOEESA-N 2 2 360.506 0.182 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)[C@@H]2C1 ZINC001275172431 1211189080 /nfs/dbraw/zinc/18/90/80/1211189080.db2.gz WZWGIMJEMAYOKE-BBWFWOEESA-N 2 2 360.506 0.182 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)[C@@H]2C1 ZINC001275172431 1211189081 /nfs/dbraw/zinc/18/90/81/1211189081.db2.gz WZWGIMJEMAYOKE-BBWFWOEESA-N 2 2 360.506 0.182 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC[NH+](CCN1CCOCC1)CC2 ZINC001275287252 1211208222 /nfs/dbraw/zinc/20/82/22/1211208222.db2.gz LXXNIMOWIRWLFC-KRWDZBQOSA-N 2 2 361.490 0.471 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3nc4ccccc4[nH]3)C2)OCC1=O ZINC001275295017 1211210299 /nfs/dbraw/zinc/21/02/99/1211210299.db2.gz UCWILYNFFHKAQE-LJQANCHMSA-N 2 2 357.458 0.928 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)OCC1=O ZINC001275295017 1211210302 /nfs/dbraw/zinc/21/03/02/1211210302.db2.gz UCWILYNFFHKAQE-LJQANCHMSA-N 2 2 357.458 0.928 20 0 FCADLP Cn1nccc1C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275365601 1211223776 /nfs/dbraw/zinc/22/37/76/1211223776.db2.gz ONKUSNNVYMYUAJ-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1nccc1C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275365601 1211223778 /nfs/dbraw/zinc/22/37/78/1211223778.db2.gz ONKUSNNVYMYUAJ-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP Cc1n[nH]cc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275382458 1211228028 /nfs/dbraw/zinc/22/80/28/1211228028.db2.gz HIYZTZWODJUZIO-GOSISDBHSA-N 2 2 358.446 0.666 20 0 FCADLP Cc1n[nH]cc1C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275382458 1211228030 /nfs/dbraw/zinc/22/80/30/1211228030.db2.gz HIYZTZWODJUZIO-GOSISDBHSA-N 2 2 358.446 0.666 20 0 FCADLP COC(C)(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001275454893 1211240868 /nfs/dbraw/zinc/24/08/68/1211240868.db2.gz BRGSHFWCVYCEIC-IBGZPJMESA-N 2 2 362.474 0.970 20 0 FCADLP COC(C)(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001275454893 1211240872 /nfs/dbraw/zinc/24/08/72/1211240872.db2.gz BRGSHFWCVYCEIC-IBGZPJMESA-N 2 2 362.474 0.970 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3cnccn3)C2)C1=O ZINC001275472986 1211247233 /nfs/dbraw/zinc/24/72/33/1211247233.db2.gz RVDLKFCVQPGEIM-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cnccn3)C2)C1=O ZINC001275472986 1211247234 /nfs/dbraw/zinc/24/72/34/1211247234.db2.gz RVDLKFCVQPGEIM-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555227 1211255810 /nfs/dbraw/zinc/25/58/10/1211255810.db2.gz PFMHLVXLBYMWME-LJQANCHMSA-N 3 2 361.490 0.565 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555227 1211255813 /nfs/dbraw/zinc/25/58/13/1211255813.db2.gz PFMHLVXLBYMWME-LJQANCHMSA-N 3 2 361.490 0.565 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556898 1211256291 /nfs/dbraw/zinc/25/62/91/1211256291.db2.gz PYLBBUIYBIBRGV-ZWKOTPCHSA-N 2 2 373.444 0.854 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556898 1211256293 /nfs/dbraw/zinc/25/62/93/1211256293.db2.gz PYLBBUIYBIBRGV-ZWKOTPCHSA-N 2 2 373.444 0.854 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3n[nH]c4ccccc43)C2)OCC1=O ZINC001275926979 1211310959 /nfs/dbraw/zinc/31/09/59/1211310959.db2.gz ONZHOIMVKCZEQD-IBGZPJMESA-N 2 2 357.458 0.928 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3n[nH]c4ccccc43)C2)OCC1=O ZINC001275926979 1211310962 /nfs/dbraw/zinc/31/09/62/1211310962.db2.gz ONZHOIMVKCZEQD-IBGZPJMESA-N 2 2 357.458 0.928 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](Cc3ncccc3O)C2)OCC1=O ZINC001276121466 1211359473 /nfs/dbraw/zinc/35/94/73/1211359473.db2.gz MYMBSAURUMFMPG-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](Cc3ncccc3O)C2)OCC1=O ZINC001276121466 1211359475 /nfs/dbraw/zinc/35/94/75/1211359475.db2.gz MYMBSAURUMFMPG-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246400 1211391556 /nfs/dbraw/zinc/39/15/56/1211391556.db2.gz IFAUMQMIRJLDIA-YJBOKZPZSA-N 2 2 364.446 0.243 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246400 1211391558 /nfs/dbraw/zinc/39/15/58/1211391558.db2.gz IFAUMQMIRJLDIA-YJBOKZPZSA-N 2 2 364.446 0.243 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001095531867 1211398078 /nfs/dbraw/zinc/39/80/78/1211398078.db2.gz WENCLNCFZRMDLS-UGUYLWEFSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001095531867 1211398081 /nfs/dbraw/zinc/39/80/81/1211398081.db2.gz WENCLNCFZRMDLS-UGUYLWEFSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001095645738 1211433970 /nfs/dbraw/zinc/43/39/70/1211433970.db2.gz FEMLAIYFKUBGRI-FSDCSDTHSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001095645738 1211433971 /nfs/dbraw/zinc/43/39/71/1211433971.db2.gz FEMLAIYFKUBGRI-FSDCSDTHSA-N 2 2 355.446 0.459 20 0 FCADLP C[NH+](C)C[C@@H]1NC(=O)N(CCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000924479130 1211471654 /nfs/dbraw/zinc/47/16/54/1211471654.db2.gz MQNDHHJEZCHCMO-SFHVURJKSA-N 2 2 373.501 0.676 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000925581020 1211502349 /nfs/dbraw/zinc/50/23/49/1211502349.db2.gz UYUVOAAESRPDSK-SFHVURJKSA-N 2 2 368.522 0.851 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001110976760 1211656433 /nfs/dbraw/zinc/65/64/33/1211656433.db2.gz VQNSXWDQKARDPP-KURKYZTESA-N 2 2 358.486 0.976 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001110976760 1211656438 /nfs/dbraw/zinc/65/64/38/1211656438.db2.gz VQNSXWDQKARDPP-KURKYZTESA-N 2 2 358.486 0.976 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001110992158 1211708783 /nfs/dbraw/zinc/70/87/83/1211708783.db2.gz PSLGPFXBAHRZLH-XLMAVXFVSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001110992158 1211708786 /nfs/dbraw/zinc/70/87/86/1211708786.db2.gz PSLGPFXBAHRZLH-XLMAVXFVSA-N 2 2 366.506 0.153 20 0 FCADLP CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000931665424 1211770254 /nfs/dbraw/zinc/77/02/54/1211770254.db2.gz XCTVSMRBESGOFJ-GOSISDBHSA-N 2 2 374.485 0.249 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C)CC2)cc1 ZINC000931871969 1211774912 /nfs/dbraw/zinc/77/49/12/1211774912.db2.gz CRTFQLFMWYCORZ-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C)CC2)cc1 ZINC000931871969 1211774916 /nfs/dbraw/zinc/77/49/16/1211774916.db2.gz CRTFQLFMWYCORZ-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)cc1 ZINC000931871969 1211774922 /nfs/dbraw/zinc/77/49/22/1211774922.db2.gz CRTFQLFMWYCORZ-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)CC2)cc1 ZINC000931871969 1211774924 /nfs/dbraw/zinc/77/49/24/1211774924.db2.gz CRTFQLFMWYCORZ-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000933843790 1211848628 /nfs/dbraw/zinc/84/86/28/1211848628.db2.gz DAAVLJLFOHWQED-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111169336 1211909872 /nfs/dbraw/zinc/90/98/72/1211909872.db2.gz OJVLMKDCVIFEDJ-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111169336 1211909875 /nfs/dbraw/zinc/90/98/75/1211909875.db2.gz OJVLMKDCVIFEDJ-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179516 1211913393 /nfs/dbraw/zinc/91/33/93/1211913393.db2.gz KBSIVODSAARKFD-YJNKXOJESA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179516 1211913399 /nfs/dbraw/zinc/91/33/99/1211913399.db2.gz KBSIVODSAARKFD-YJNKXOJESA-N 2 2 365.478 0.023 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001111230500 1211935784 /nfs/dbraw/zinc/93/57/84/1211935784.db2.gz OHZIIMWZOHWKCU-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001111230500 1211935786 /nfs/dbraw/zinc/93/57/86/1211935786.db2.gz OHZIIMWZOHWKCU-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001111230500 1211935787 /nfs/dbraw/zinc/93/57/87/1211935787.db2.gz OHZIIMWZOHWKCU-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001111230500 1211935790 /nfs/dbraw/zinc/93/57/90/1211935790.db2.gz OHZIIMWZOHWKCU-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC000947503707 1212038131 /nfs/dbraw/zinc/03/81/31/1212038131.db2.gz MREYITFZGOTRSP-DLBZAZTESA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC000947503707 1212038137 /nfs/dbraw/zinc/03/81/37/1212038137.db2.gz MREYITFZGOTRSP-DLBZAZTESA-N 2 2 361.490 0.800 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276162 1212191419 /nfs/dbraw/zinc/19/14/19/1212191419.db2.gz GYHDBTNZTKCLJA-SRABZTEZSA-N 2 2 361.490 0.939 20 0 FCADLP 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CN(C)C(=O)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948785620 1212240004 /nfs/dbraw/zinc/24/00/04/1212240004.db2.gz PDRMDNJIRIOKBX-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948785620 1212240010 /nfs/dbraw/zinc/24/00/10/1212240010.db2.gz PDRMDNJIRIOKBX-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000949197374 1212320987 /nfs/dbraw/zinc/32/09/87/1212320987.db2.gz NZINORLXBZPYKB-IIAWOOMASA-N 2 2 360.458 0.548 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000949197374 1212320991 /nfs/dbraw/zinc/32/09/91/1212320991.db2.gz NZINORLXBZPYKB-IIAWOOMASA-N 2 2 360.458 0.548 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000949214202 1212326958 /nfs/dbraw/zinc/32/69/58/1212326958.db2.gz OXYLXPJXVJSGTL-CZUORRHYSA-N 2 2 370.457 0.929 20 0 FCADLP 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CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000954707065 1213103277 /nfs/dbraw/zinc/10/32/77/1213103277.db2.gz SHMZVBQTPLCILO-OAGGEKHMSA-N 2 2 359.474 0.677 20 0 FCADLP CN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000954842515 1213113982 /nfs/dbraw/zinc/11/39/82/1213113982.db2.gz JGBVTMMALNUQQF-HUUCEWRRSA-N 2 2 357.458 0.289 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)CC[N@@H+]1C ZINC000956570463 1213205004 /nfs/dbraw/zinc/20/50/04/1213205004.db2.gz IYWFCOPVUTZJGB-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)CC[N@H+]1C ZINC000956570463 1213205010 /nfs/dbraw/zinc/20/50/10/1213205010.db2.gz IYWFCOPVUTZJGB-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CC4CC4)C3)CC2)CC[N@@H+]1C ZINC000956594206 1213207163 /nfs/dbraw/zinc/20/71/63/1213207163.db2.gz LYGMBXCJTSEIPG-BPQIPLTHSA-N 2 2 362.518 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CC4CC4)C3)CC2)CC[N@H+]1C ZINC000956594206 1213207167 /nfs/dbraw/zinc/20/71/67/1213207167.db2.gz LYGMBXCJTSEIPG-BPQIPLTHSA-N 2 2 362.518 0.872 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000957069093 1213242596 /nfs/dbraw/zinc/24/25/96/1213242596.db2.gz KGVJKXWZXUZMLU-KBRIMQKVSA-N 2 2 359.474 0.268 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000957085634 1213248416 /nfs/dbraw/zinc/24/84/16/1213248416.db2.gz CDBDJRNHEWANMV-HLLBOEOZSA-N 2 2 371.485 0.504 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)C1 ZINC000958189891 1213388791 /nfs/dbraw/zinc/38/87/91/1213388791.db2.gz PLPABEHHSOEJII-OWCLPIDISA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)C1 ZINC000958189891 1213388793 /nfs/dbraw/zinc/38/87/93/1213388793.db2.gz PLPABEHHSOEJII-OWCLPIDISA-N 2 2 361.490 0.893 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000958763698 1213429436 /nfs/dbraw/zinc/42/94/36/1213429436.db2.gz XXFIERUDGJZHIT-IIAWOOMASA-N 2 2 371.485 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000959837643 1213531373 /nfs/dbraw/zinc/53/13/73/1213531373.db2.gz ZAZYWJHANDSKGK-MZMPZRCHSA-N 2 2 359.474 0.790 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1C ZINC000960045939 1213593728 /nfs/dbraw/zinc/59/37/28/1213593728.db2.gz MTMMHHCSRXWLRA-BPQIPLTHSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1C ZINC000960045939 1213593730 /nfs/dbraw/zinc/59/37/30/1213593730.db2.gz MTMMHHCSRXWLRA-BPQIPLTHSA-N 2 2 363.506 0.918 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763980 1225471977 /nfs/dbraw/zinc/47/19/77/1225471977.db2.gz OCUXUDLUARBZAK-BRWVUGGUSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763980 1225471981 /nfs/dbraw/zinc/47/19/81/1225471981.db2.gz OCUXUDLUARBZAK-BRWVUGGUSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763980 1225471985 /nfs/dbraw/zinc/47/19/85/1225471985.db2.gz OCUXUDLUARBZAK-BRWVUGGUSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763980 1225471988 /nfs/dbraw/zinc/47/19/88/1225471988.db2.gz OCUXUDLUARBZAK-BRWVUGGUSA-N 2 2 366.506 0.107 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001221773073 1225477679 /nfs/dbraw/zinc/47/76/79/1225477679.db2.gz XABYPGQTVDHHSM-GDBMZVCRSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001221773073 1225477681 /nfs/dbraw/zinc/47/76/81/1225477681.db2.gz XABYPGQTVDHHSM-GDBMZVCRSA-N 2 2 359.474 0.860 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221788486 1225481569 /nfs/dbraw/zinc/48/15/69/1225481569.db2.gz TZCALZPEQWIJNW-QZTJIDSGSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221788486 1225481572 /nfs/dbraw/zinc/48/15/72/1225481572.db2.gz TZCALZPEQWIJNW-QZTJIDSGSA-N 2 2 358.486 0.787 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)CC[N@@H+]1C ZINC001011210873 1213850888 /nfs/dbraw/zinc/85/08/88/1213850888.db2.gz ZFIWZRNCHHZBJY-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)CC[N@H+]1C ZINC001011210873 1213850889 /nfs/dbraw/zinc/85/08/89/1213850889.db2.gz ZFIWZRNCHHZBJY-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)CC[N@@H+]1C ZINC001014512841 1213972240 /nfs/dbraw/zinc/97/22/40/1213972240.db2.gz PBWOTKMKMVSYFH-RGPZOAQRSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)CC[N@H+]1C ZINC001014512841 1213972243 /nfs/dbraw/zinc/97/22/43/1213972243.db2.gz PBWOTKMKMVSYFH-RGPZOAQRSA-N 2 2 359.474 0.932 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001015723160 1213992368 /nfs/dbraw/zinc/99/23/68/1213992368.db2.gz MRYWONVBZCIQKR-ARFHVFGLSA-N 2 2 357.462 0.623 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001015723160 1213992374 /nfs/dbraw/zinc/99/23/74/1213992374.db2.gz MRYWONVBZCIQKR-ARFHVFGLSA-N 2 2 357.462 0.623 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001016680277 1214035598 /nfs/dbraw/zinc/03/55/98/1214035598.db2.gz YIYXBEHTYNBCEN-TWRYWWQQSA-N 2 2 363.462 0.016 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001016680277 1214035603 /nfs/dbraw/zinc/03/56/03/1214035603.db2.gz YIYXBEHTYNBCEN-TWRYWWQQSA-N 2 2 363.462 0.016 20 0 FCADLP Cc1noc(C[NH+](C)C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001017153424 1214076820 /nfs/dbraw/zinc/07/68/20/1214076820.db2.gz OTAAPJZQCDLOGE-VNQPRFMTSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[NH+](C)C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001017153424 1214076825 /nfs/dbraw/zinc/07/68/25/1214076825.db2.gz OTAAPJZQCDLOGE-VNQPRFMTSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001017153424 1214076828 /nfs/dbraw/zinc/07/68/28/1214076828.db2.gz OTAAPJZQCDLOGE-VNQPRFMTSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001017153424 1214076834 /nfs/dbraw/zinc/07/68/34/1214076834.db2.gz OTAAPJZQCDLOGE-VNQPRFMTSA-N 2 2 365.478 0.768 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961599518 1214239374 /nfs/dbraw/zinc/23/93/74/1214239374.db2.gz KZXOLVAMMALKIV-IBEHDNSVSA-N 2 2 357.458 0.382 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961599518 1214239376 /nfs/dbraw/zinc/23/93/76/1214239376.db2.gz KZXOLVAMMALKIV-IBEHDNSVSA-N 2 2 357.458 0.382 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000961599518 1214239382 /nfs/dbraw/zinc/23/93/82/1214239382.db2.gz KZXOLVAMMALKIV-IBEHDNSVSA-N 2 2 357.458 0.382 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000961599518 1214239386 /nfs/dbraw/zinc/23/93/86/1214239386.db2.gz KZXOLVAMMALKIV-IBEHDNSVSA-N 2 2 357.458 0.382 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001019455144 1214250304 /nfs/dbraw/zinc/25/03/04/1214250304.db2.gz HYPXANZXCKUGQX-ARFHVFGLSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001019455144 1214250308 /nfs/dbraw/zinc/25/03/08/1214250308.db2.gz HYPXANZXCKUGQX-ARFHVFGLSA-N 2 2 371.485 0.536 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000961826552 1214318745 /nfs/dbraw/zinc/31/87/45/1214318745.db2.gz PEVVJNCEJDPVBI-LSPIHWNJSA-N 2 2 357.458 0.191 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000961826552 1214318751 /nfs/dbraw/zinc/31/87/51/1214318751.db2.gz PEVVJNCEJDPVBI-LSPIHWNJSA-N 2 2 357.458 0.191 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC001020275148 1214326475 /nfs/dbraw/zinc/32/64/75/1214326475.db2.gz UXGOIBLJUWAXDX-BFJAYTPKSA-N 2 2 363.462 0.016 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC001020275148 1214326484 /nfs/dbraw/zinc/32/64/84/1214326484.db2.gz UXGOIBLJUWAXDX-BFJAYTPKSA-N 2 2 363.462 0.016 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287011 1214327740 /nfs/dbraw/zinc/32/77/40/1214327740.db2.gz RXSSDZSNFDVAPH-XVIXHAIJSA-N 2 2 367.450 0.233 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287011 1214327745 /nfs/dbraw/zinc/32/77/45/1214327745.db2.gz RXSSDZSNFDVAPH-XVIXHAIJSA-N 2 2 367.450 0.233 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878146 1225518724 /nfs/dbraw/zinc/51/87/24/1225518724.db2.gz CQGCZGVFYWJZJM-RRFJBIMHSA-N 2 2 367.494 0.095 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878146 1225518728 /nfs/dbraw/zinc/51/87/28/1225518728.db2.gz CQGCZGVFYWJZJM-RRFJBIMHSA-N 2 2 367.494 0.095 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCn2cncn2)O1 ZINC001039676876 1214428182 /nfs/dbraw/zinc/42/81/82/1214428182.db2.gz BARFDQBGQNYNDN-WCXIOVBPSA-N 2 2 362.478 0.063 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCn2cncn2)O1 ZINC001039676876 1214428185 /nfs/dbraw/zinc/42/81/85/1214428185.db2.gz BARFDQBGQNYNDN-WCXIOVBPSA-N 2 2 362.478 0.063 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCn2cncn2)O1 ZINC001039676876 1214428191 /nfs/dbraw/zinc/42/81/91/1214428191.db2.gz BARFDQBGQNYNDN-WCXIOVBPSA-N 2 2 362.478 0.063 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCn2cncn2)O1 ZINC001039676876 1214428197 /nfs/dbraw/zinc/42/81/97/1214428197.db2.gz BARFDQBGQNYNDN-WCXIOVBPSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001040548191 1214531481 /nfs/dbraw/zinc/53/14/81/1214531481.db2.gz UBIMPPAKKBHOOA-AEGPPILISA-N 2 2 355.446 0.495 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001040548191 1214531486 /nfs/dbraw/zinc/53/14/86/1214531486.db2.gz UBIMPPAKKBHOOA-AEGPPILISA-N 2 2 355.446 0.495 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001040658018 1214553954 /nfs/dbraw/zinc/55/39/54/1214553954.db2.gz MONCIVUYHJXSII-GOEBONIOSA-N 2 2 369.473 0.742 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946884 1225546288 /nfs/dbraw/zinc/54/62/88/1225546288.db2.gz HHZOXNAOCQLUFP-GVDBMIGSSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946884 1225546292 /nfs/dbraw/zinc/54/62/92/1225546292.db2.gz HHZOXNAOCQLUFP-GVDBMIGSSA-N 2 2 368.522 0.258 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945222 1225546302 /nfs/dbraw/zinc/54/63/02/1225546302.db2.gz JLMMCZIWTIPVQS-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945222 1225546304 /nfs/dbraw/zinc/54/63/04/1225546304.db2.gz JLMMCZIWTIPVQS-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945222 1225546307 /nfs/dbraw/zinc/54/63/07/1225546307.db2.gz JLMMCZIWTIPVQS-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945222 1225546309 /nfs/dbraw/zinc/54/63/09/1225546309.db2.gz JLMMCZIWTIPVQS-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950458 1225548851 /nfs/dbraw/zinc/54/88/51/1225548851.db2.gz JCDJSNHWBRXIGY-DJIMGWMZSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950458 1225548855 /nfs/dbraw/zinc/54/88/55/1225548855.db2.gz JCDJSNHWBRXIGY-DJIMGWMZSA-N 2 2 366.506 0.012 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc(C2CC2)[nH+]1 ZINC001041112364 1214706897 /nfs/dbraw/zinc/70/68/97/1214706897.db2.gz UOHTVWWQMWJJDI-HUUCEWRRSA-N 2 2 357.458 0.424 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000963149542 1214750951 /nfs/dbraw/zinc/75/09/51/1214750951.db2.gz DHGDPRZZRJUIQA-SIXLDLHFSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000963149542 1214750960 /nfs/dbraw/zinc/75/09/60/1214750960.db2.gz DHGDPRZZRJUIQA-SIXLDLHFSA-N 2 2 359.474 0.884 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948484 1225547672 /nfs/dbraw/zinc/54/76/72/1225547672.db2.gz YSFKKIQBPRADPC-HZPDHXFCSA-N 2 2 362.518 0.920 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948484 1225547678 /nfs/dbraw/zinc/54/76/78/1225547678.db2.gz YSFKKIQBPRADPC-HZPDHXFCSA-N 2 2 362.518 0.920 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968898 1225556308 /nfs/dbraw/zinc/55/63/08/1225556308.db2.gz GLHJWEGKERMBAJ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968898 1225556316 /nfs/dbraw/zinc/55/63/16/1225556316.db2.gz GLHJWEGKERMBAJ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968898 1225556320 /nfs/dbraw/zinc/55/63/20/1225556320.db2.gz GLHJWEGKERMBAJ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221968898 1225556326 /nfs/dbraw/zinc/55/63/26/1225556326.db2.gz GLHJWEGKERMBAJ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000963605959 1214831524 /nfs/dbraw/zinc/83/15/24/1214831524.db2.gz QKHBCPIDBUMIOC-MWQQHZPXSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000963605959 1214831528 /nfs/dbraw/zinc/83/15/28/1214831528.db2.gz QKHBCPIDBUMIOC-MWQQHZPXSA-N 2 2 359.474 0.884 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221972647 1225557657 /nfs/dbraw/zinc/55/76/57/1225557657.db2.gz BYRBZJZTXABVQJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221972647 1225557662 /nfs/dbraw/zinc/55/76/62/1225557662.db2.gz BYRBZJZTXABVQJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221972647 1225557666 /nfs/dbraw/zinc/55/76/66/1225557666.db2.gz BYRBZJZTXABVQJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221972647 1225557671 /nfs/dbraw/zinc/55/76/71/1225557671.db2.gz BYRBZJZTXABVQJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)CC[N@@H+]1C ZINC000965714179 1215105466 /nfs/dbraw/zinc/10/54/66/1215105466.db2.gz BGUAPBHTDVIUDP-BMFZPTHFSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)CC[N@H+]1C ZINC000965714179 1215105469 /nfs/dbraw/zinc/10/54/69/1215105469.db2.gz BGUAPBHTDVIUDP-BMFZPTHFSA-N 2 2 359.474 0.790 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001222016606 1225577015 /nfs/dbraw/zinc/57/70/15/1225577015.db2.gz SABUIRYNYKYMEN-USXIJHARSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001222016606 1225577021 /nfs/dbraw/zinc/57/70/21/1225577021.db2.gz SABUIRYNYKYMEN-USXIJHARSA-N 2 2 361.490 0.885 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049728 1225590244 /nfs/dbraw/zinc/59/02/44/1225590244.db2.gz JESOSILFMYLBDG-RBSFLKMASA-N 2 2 367.494 0.094 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222049728 1225590250 /nfs/dbraw/zinc/59/02/50/1225590250.db2.gz JESOSILFMYLBDG-RBSFLKMASA-N 2 2 367.494 0.094 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049728 1225590253 /nfs/dbraw/zinc/59/02/53/1225590253.db2.gz JESOSILFMYLBDG-RBSFLKMASA-N 2 2 367.494 0.094 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)cn1 ZINC001098013577 1215925218 /nfs/dbraw/zinc/92/52/18/1215925218.db2.gz VTKINTIRRUDZGB-ZACQAIPSSA-N 2 2 374.489 0.012 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)cn1 ZINC001098013577 1215925223 /nfs/dbraw/zinc/92/52/23/1215925223.db2.gz VTKINTIRRUDZGB-ZACQAIPSSA-N 2 2 374.489 0.012 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001000881743 1216120600 /nfs/dbraw/zinc/12/06/00/1216120600.db2.gz AMNGAOCEHUHCIL-PMPSAXMXSA-N 2 2 357.458 0.829 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnnn3C)[C@H]2C1 ZINC001222799581 1225654218 /nfs/dbraw/zinc/65/42/18/1225654218.db2.gz MECWEHRVOUZYNE-OIISXLGYSA-N 2 2 366.485 0.918 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnnn3C)[C@H]2C1 ZINC001222799581 1225654222 /nfs/dbraw/zinc/65/42/22/1225654222.db2.gz MECWEHRVOUZYNE-OIISXLGYSA-N 2 2 366.485 0.918 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841924 1225656547 /nfs/dbraw/zinc/65/65/47/1225656547.db2.gz GLUXUSYRGNHLQO-KSSFIOAISA-N 2 2 361.446 0.632 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841924 1225656553 /nfs/dbraw/zinc/65/65/53/1225656553.db2.gz GLUXUSYRGNHLQO-KSSFIOAISA-N 2 2 361.446 0.632 20 0 FCADLP CN1CCC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001001500635 1216228355 /nfs/dbraw/zinc/22/83/55/1216228355.db2.gz BTYJASNGKXSHAM-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@H](c1nncn1C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531249 1216237767 /nfs/dbraw/zinc/23/77/67/1216237767.db2.gz CQITWVAAKGRVMY-IIAWOOMASA-N 2 2 364.494 0.423 20 0 FCADLP C[C@H](c1nncn1C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531249 1216237781 /nfs/dbraw/zinc/23/77/81/1216237781.db2.gz CQITWVAAKGRVMY-IIAWOOMASA-N 2 2 364.494 0.423 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222993502 1225672049 /nfs/dbraw/zinc/67/20/49/1225672049.db2.gz QZFRRTINAUTAPZ-INMHGKMJSA-N 2 2 359.474 0.504 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001222993502 1225672050 /nfs/dbraw/zinc/67/20/50/1225672050.db2.gz QZFRRTINAUTAPZ-INMHGKMJSA-N 2 2 359.474 0.504 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223012511 1225672982 /nfs/dbraw/zinc/67/29/82/1225672982.db2.gz DWVSYQXYHCTAPA-NUJGCVRESA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223012511 1225672984 /nfs/dbraw/zinc/67/29/84/1225672984.db2.gz DWVSYQXYHCTAPA-NUJGCVRESA-N 2 2 362.474 0.377 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001051834086 1216484570 /nfs/dbraw/zinc/48/45/70/1216484570.db2.gz GOSRQISCQWHSLX-BRWVUGGUSA-N 2 2 355.442 0.936 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001057746589 1216538316 /nfs/dbraw/zinc/53/83/16/1216538316.db2.gz YXFLWWMLAYRDDV-LSDHHAIUSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001057746589 1216538322 /nfs/dbraw/zinc/53/83/22/1216538322.db2.gz YXFLWWMLAYRDDV-LSDHHAIUSA-N 2 2 365.478 0.010 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001052359449 1216540426 /nfs/dbraw/zinc/54/04/26/1216540426.db2.gz GVOPHFHXWXFJBJ-IFXJQAMLSA-N 2 2 369.473 0.744 20 0 FCADLP CCc1nnc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487640 1216560027 /nfs/dbraw/zinc/56/00/27/1216560027.db2.gz AQEANFBKSHZAMR-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CCc1nnc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487640 1216560033 /nfs/dbraw/zinc/56/00/33/1216560033.db2.gz AQEANFBKSHZAMR-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487640 1216560039 /nfs/dbraw/zinc/56/00/39/1216560039.db2.gz AQEANFBKSHZAMR-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052487640 1216560043 /nfs/dbraw/zinc/56/00/43/1216560043.db2.gz AQEANFBKSHZAMR-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CCn1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490966 1216561567 /nfs/dbraw/zinc/56/15/67/1216561567.db2.gz YALVRZCYUNKPEO-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490966 1216561576 /nfs/dbraw/zinc/56/15/76/1216561576.db2.gz YALVRZCYUNKPEO-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490966 1216561583 /nfs/dbraw/zinc/56/15/83/1216561583.db2.gz YALVRZCYUNKPEO-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490966 1216561587 /nfs/dbraw/zinc/56/15/87/1216561587.db2.gz YALVRZCYUNKPEO-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223221941 1225690992 /nfs/dbraw/zinc/69/09/92/1225690992.db2.gz KSXLUGQCELKFLQ-WBVHZDCISA-N 2 2 359.474 0.722 20 0 FCADLP CCC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276873509 1225692226 /nfs/dbraw/zinc/69/22/26/1225692226.db2.gz OASQVGMRQFJJTA-GOSISDBHSA-N 2 2 364.534 0.821 20 0 FCADLP CCC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276873509 1225692231 /nfs/dbraw/zinc/69/22/31/1225692231.db2.gz OASQVGMRQFJJTA-GOSISDBHSA-N 2 2 364.534 0.821 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962038 1216868830 /nfs/dbraw/zinc/86/88/30/1216868830.db2.gz AQERFJRTIKKBFI-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962038 1216868831 /nfs/dbraw/zinc/86/88/31/1216868831.db2.gz AQERFJRTIKKBFI-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962510 1216870317 /nfs/dbraw/zinc/87/03/17/1216870317.db2.gz ZYJVJKTUUHDUIV-OIISXLGYSA-N 2 2 357.462 0.879 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962510 1216870318 /nfs/dbraw/zinc/87/03/18/1216870318.db2.gz ZYJVJKTUUHDUIV-OIISXLGYSA-N 2 2 357.462 0.879 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223352816 1225699521 /nfs/dbraw/zinc/69/95/21/1225699521.db2.gz BXFGOEXTEDXIJW-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223352816 1225699525 /nfs/dbraw/zinc/69/95/25/1225699525.db2.gz BXFGOEXTEDXIJW-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276901373 1225716783 /nfs/dbraw/zinc/71/67/83/1225716783.db2.gz PTXCROIWSGKGFZ-WMZOPIPTSA-N 2 2 364.534 0.820 20 0 FCADLP CC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276901373 1225716787 /nfs/dbraw/zinc/71/67/87/1225716787.db2.gz PTXCROIWSGKGFZ-WMZOPIPTSA-N 2 2 364.534 0.820 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678542 1225726275 /nfs/dbraw/zinc/72/62/75/1225726275.db2.gz HNSYHDNLIXVDBW-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678542 1225726278 /nfs/dbraw/zinc/72/62/78/1225726278.db2.gz HNSYHDNLIXVDBW-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)nc(C)[nH+]1 ZINC001041203752 1217232164 /nfs/dbraw/zinc/23/21/64/1217232164.db2.gz QNJYFIWTRSIWPO-RBSFLKMASA-N 2 2 356.430 0.533 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404871 1217316380 /nfs/dbraw/zinc/31/63/80/1217316380.db2.gz XBZPLHUPBNNJAU-SUMDDJOVSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404871 1217316384 /nfs/dbraw/zinc/31/63/84/1217316384.db2.gz XBZPLHUPBNNJAU-SUMDDJOVSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404871 1217316390 /nfs/dbraw/zinc/31/63/90/1217316390.db2.gz XBZPLHUPBNNJAU-SUMDDJOVSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404871 1217316395 /nfs/dbraw/zinc/31/63/95/1217316395.db2.gz XBZPLHUPBNNJAU-SUMDDJOVSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnnn3C)C2)C1 ZINC001041695961 1217355317 /nfs/dbraw/zinc/35/53/17/1217355317.db2.gz HYXMDTWPDJILFM-GPMSIDNRSA-N 2 2 369.473 0.777 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnnn3C)C2)C1 ZINC001041695961 1217355326 /nfs/dbraw/zinc/35/53/26/1217355326.db2.gz HYXMDTWPDJILFM-GPMSIDNRSA-N 2 2 369.473 0.777 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001041973743 1217373516 /nfs/dbraw/zinc/37/35/16/1217373516.db2.gz ALUAASQCTMWYAW-RHSMWYFYSA-N 2 2 358.490 0.501 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001041973743 1217373521 /nfs/dbraw/zinc/37/35/21/1217373521.db2.gz ALUAASQCTMWYAW-RHSMWYFYSA-N 2 2 358.490 0.501 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001042089652 1217386224 /nfs/dbraw/zinc/38/62/24/1217386224.db2.gz GKZLMLFJZPEDBT-RHSMWYFYSA-N 2 2 370.501 0.501 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001042089652 1217386230 /nfs/dbraw/zinc/38/62/30/1217386230.db2.gz GKZLMLFJZPEDBT-RHSMWYFYSA-N 2 2 370.501 0.501 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001042584793 1217431629 /nfs/dbraw/zinc/43/16/29/1217431629.db2.gz HMRMUJNZJRRUFT-RGCMKSIDSA-N 2 2 357.462 0.644 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001042584793 1217431634 /nfs/dbraw/zinc/43/16/34/1217431634.db2.gz HMRMUJNZJRRUFT-RGCMKSIDSA-N 2 2 357.462 0.644 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2OC)C1 ZINC001042838996 1217478925 /nfs/dbraw/zinc/47/89/25/1217478925.db2.gz BMEUTPFTVCJFOZ-OAGGEKHMSA-N 2 2 363.462 0.134 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2OC)C1 ZINC001042838996 1217478927 /nfs/dbraw/zinc/47/89/27/1217478927.db2.gz BMEUTPFTVCJFOZ-OAGGEKHMSA-N 2 2 363.462 0.134 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001043423201 1217654367 /nfs/dbraw/zinc/65/43/67/1217654367.db2.gz DCUPOPHGQVMSSA-JQHSSLGASA-N 2 2 367.490 0.045 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)[nH+]1 ZINC001043518172 1217668792 /nfs/dbraw/zinc/66/87/92/1217668792.db2.gz UMKFTHSKZQFEAW-UMVBOHGHSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)[nH+]1 ZINC001043518172 1217668795 /nfs/dbraw/zinc/66/87/95/1217668795.db2.gz UMKFTHSKZQFEAW-UMVBOHGHSA-N 2 2 361.494 0.847 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140566 1225760306 /nfs/dbraw/zinc/76/03/06/1225760306.db2.gz QKPHKLYVQOXKPP-ZACQAIPSSA-N 2 2 366.506 0.014 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140566 1225760307 /nfs/dbraw/zinc/76/03/07/1225760307.db2.gz QKPHKLYVQOXKPP-ZACQAIPSSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)OC(=O)C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276966603 1225778438 /nfs/dbraw/zinc/77/84/38/1225778438.db2.gz WVCHGDFDTRRFQA-SFHVURJKSA-N 2 2 362.430 0.676 20 0 FCADLP CC(C)OC(=O)C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276966603 1225778442 /nfs/dbraw/zinc/77/84/42/1225778442.db2.gz WVCHGDFDTRRFQA-SFHVURJKSA-N 2 2 362.430 0.676 20 0 FCADLP CC(C)n1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045089332 1217898775 /nfs/dbraw/zinc/89/87/75/1217898775.db2.gz FQFDYYPCOOPTNZ-QLFBSQMISA-N 2 2 365.482 0.054 20 0 FCADLP CC(C)n1nnnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045089332 1217898777 /nfs/dbraw/zinc/89/87/77/1217898777.db2.gz FQFDYYPCOOPTNZ-QLFBSQMISA-N 2 2 365.482 0.054 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001045439900 1217928766 /nfs/dbraw/zinc/92/87/66/1217928766.db2.gz BHCRSOLOAXGMIO-UONOGXRCSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001045439900 1217928770 /nfs/dbraw/zinc/92/87/70/1217928770.db2.gz BHCRSOLOAXGMIO-UONOGXRCSA-N 2 2 364.494 0.309 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900804847 1218038639 /nfs/dbraw/zinc/03/86/39/1218038639.db2.gz NRFRMPXJXLYPJJ-ICSRJNTNSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900804847 1218038644 /nfs/dbraw/zinc/03/86/44/1218038644.db2.gz NRFRMPXJXLYPJJ-ICSRJNTNSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815367 1218041864 /nfs/dbraw/zinc/04/18/64/1218041864.db2.gz IRGYGQRTDHTTIU-BOLBYERCSA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815367 1218041869 /nfs/dbraw/zinc/04/18/69/1218041869.db2.gz IRGYGQRTDHTTIU-BOLBYERCSA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900815367 1218041874 /nfs/dbraw/zinc/04/18/74/1218041874.db2.gz IRGYGQRTDHTTIU-BOLBYERCSA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900815367 1218041878 /nfs/dbraw/zinc/04/18/78/1218041878.db2.gz IRGYGQRTDHTTIU-BOLBYERCSA-N 2 2 361.486 0.847 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000900867281 1218047380 /nfs/dbraw/zinc/04/73/80/1218047380.db2.gz SCYZOJALQZOIKB-DLBZAZTESA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000900867281 1218047385 /nfs/dbraw/zinc/04/73/85/1218047385.db2.gz SCYZOJALQZOIKB-DLBZAZTESA-N 2 2 367.490 0.585 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc[nH+]1 ZINC000901191372 1218090208 /nfs/dbraw/zinc/09/02/08/1218090208.db2.gz RDYUSPLVMGNKJM-KRWDZBQOSA-N 2 2 369.469 0.899 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC(N)=O)CC3)C2)O1 ZINC001047245235 1218124944 /nfs/dbraw/zinc/12/49/44/1218124944.db2.gz XWVFILKKOYTFQW-DJIMGWMZSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](CC(N)=O)CC3)C2)O1 ZINC001047245235 1218124949 /nfs/dbraw/zinc/12/49/49/1218124949.db2.gz XWVFILKKOYTFQW-DJIMGWMZSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2O)O1 ZINC001047427217 1218142582 /nfs/dbraw/zinc/14/25/82/1218142582.db2.gz MJVBJGOXZABTBI-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2O)O1 ZINC001047427217 1218142586 /nfs/dbraw/zinc/14/25/86/1218142586.db2.gz MJVBJGOXZABTBI-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2O)O1 ZINC001047427217 1218142588 /nfs/dbraw/zinc/14/25/88/1218142588.db2.gz MJVBJGOXZABTBI-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2O)O1 ZINC001047427217 1218142592 /nfs/dbraw/zinc/14/25/92/1218142592.db2.gz MJVBJGOXZABTBI-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001096233752 1218177440 /nfs/dbraw/zinc/17/74/40/1218177440.db2.gz BXZRFGNKMANXHU-UGUYLWEFSA-N 2 2 362.474 0.245 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001096233752 1218177446 /nfs/dbraw/zinc/17/74/46/1218177446.db2.gz BXZRFGNKMANXHU-UGUYLWEFSA-N 2 2 362.474 0.245 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001048535652 1218283658 /nfs/dbraw/zinc/28/36/58/1218283658.db2.gz RRMVFUUZPFOJRM-DZGCXMPZSA-N 2 2 357.458 0.761 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001048535652 1218283670 /nfs/dbraw/zinc/28/36/70/1218283670.db2.gz RRMVFUUZPFOJRM-DZGCXMPZSA-N 2 2 357.458 0.761 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001048535652 1218283679 /nfs/dbraw/zinc/28/36/79/1218283679.db2.gz RRMVFUUZPFOJRM-DZGCXMPZSA-N 2 2 357.458 0.761 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001048535652 1218283687 /nfs/dbraw/zinc/28/36/87/1218283687.db2.gz RRMVFUUZPFOJRM-DZGCXMPZSA-N 2 2 357.458 0.761 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891913 1218337363 /nfs/dbraw/zinc/33/73/63/1218337363.db2.gz VVQDMQSPBWGWTR-APIJFGDWSA-N 2 2 363.462 0.241 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891913 1218337366 /nfs/dbraw/zinc/33/73/66/1218337366.db2.gz VVQDMQSPBWGWTR-APIJFGDWSA-N 2 2 363.462 0.241 20 0 FCADLP CCc1nnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891913 1218337369 /nfs/dbraw/zinc/33/73/69/1218337369.db2.gz VVQDMQSPBWGWTR-APIJFGDWSA-N 2 2 363.462 0.241 20 0 FCADLP CCc1nnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891913 1218337371 /nfs/dbraw/zinc/33/73/71/1218337371.db2.gz VVQDMQSPBWGWTR-APIJFGDWSA-N 2 2 363.462 0.241 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096544466 1218485860 /nfs/dbraw/zinc/48/58/60/1218485860.db2.gz KILBRXIFFQOLEJ-PMPSAXMXSA-N 2 2 370.457 0.340 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096544466 1218485866 /nfs/dbraw/zinc/48/58/66/1218485866.db2.gz KILBRXIFFQOLEJ-PMPSAXMXSA-N 2 2 370.457 0.340 20 0 FCADLP Cc1ncncc1C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277073011 1225824492 /nfs/dbraw/zinc/82/44/92/1225824492.db2.gz XLTBFKXLYCSYTH-GOSISDBHSA-N 2 2 356.430 0.485 20 0 FCADLP Cc1ncncc1C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277073011 1225824493 /nfs/dbraw/zinc/82/44/93/1225824493.db2.gz XLTBFKXLYCSYTH-GOSISDBHSA-N 2 2 356.430 0.485 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2CCCC2=O)C1 ZINC001096914379 1218638950 /nfs/dbraw/zinc/63/89/50/1218638950.db2.gz RELLTWVYXKBTRN-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2CCCC2=O)C1 ZINC001096914379 1218638954 /nfs/dbraw/zinc/63/89/54/1218638954.db2.gz RELLTWVYXKBTRN-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2CCCC2=O)C1 ZINC001096914379 1218638955 /nfs/dbraw/zinc/63/89/55/1218638955.db2.gz RELLTWVYXKBTRN-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2CCCC2=O)C1 ZINC001096914379 1218638958 /nfs/dbraw/zinc/63/89/58/1218638958.db2.gz RELLTWVYXKBTRN-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)n1 ZINC001096912597 1218639349 /nfs/dbraw/zinc/63/93/49/1218639349.db2.gz MOYZZMIRMZTLAI-WCVJEAGWSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001096912597 1218639354 /nfs/dbraw/zinc/63/93/54/1218639354.db2.gz MOYZZMIRMZTLAI-WCVJEAGWSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001096912597 1218639358 /nfs/dbraw/zinc/63/93/58/1218639358.db2.gz MOYZZMIRMZTLAI-WCVJEAGWSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001096912597 1218639369 /nfs/dbraw/zinc/63/93/69/1218639369.db2.gz MOYZZMIRMZTLAI-WCVJEAGWSA-N 2 2 363.462 0.363 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112717 1218691906 /nfs/dbraw/zinc/69/19/06/1218691906.db2.gz AMQRUSFKAMDIFS-SVGFKBNWSA-N 2 2 373.501 0.960 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112717 1218691910 /nfs/dbraw/zinc/69/19/10/1218691910.db2.gz AMQRUSFKAMDIFS-SVGFKBNWSA-N 2 2 373.501 0.960 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226348819 1225840907 /nfs/dbraw/zinc/84/09/07/1225840907.db2.gz WXCXMOUEIXWOPQ-HZPDHXFCSA-N 2 2 361.490 0.915 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226348689 1225841034 /nfs/dbraw/zinc/84/10/34/1225841034.db2.gz VGCYQQKXFISBFR-GVDBMIGSSA-N 2 2 364.490 0.786 20 0 FCADLP Nc1cccc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)n1 ZINC001277122912 1225841332 /nfs/dbraw/zinc/84/13/32/1225841332.db2.gz JTZDEUDCSLFVSK-SFHVURJKSA-N 2 2 356.430 0.364 20 0 FCADLP Nc1cccc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)n1 ZINC001277122912 1225841334 /nfs/dbraw/zinc/84/13/34/1225841334.db2.gz JTZDEUDCSLFVSK-SFHVURJKSA-N 2 2 356.430 0.364 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001226356228 1225841431 /nfs/dbraw/zinc/84/14/31/1225841431.db2.gz RZNMTIVTVGDAGQ-XJKCOSOUSA-N 2 2 362.478 0.553 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001226356228 1225841432 /nfs/dbraw/zinc/84/14/32/1225841432.db2.gz RZNMTIVTVGDAGQ-XJKCOSOUSA-N 2 2 362.478 0.553 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001097336446 1218779823 /nfs/dbraw/zinc/77/98/23/1218779823.db2.gz IFFSUYOPDNQZKR-UNEWFSDZSA-N 2 2 368.441 0.923 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001097336446 1218779828 /nfs/dbraw/zinc/77/98/28/1218779828.db2.gz IFFSUYOPDNQZKR-UNEWFSDZSA-N 2 2 368.441 0.923 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001097338666 1218782451 /nfs/dbraw/zinc/78/24/51/1218782451.db2.gz UHOOGYMIGFZLTJ-XABYNWHXSA-N 2 2 367.409 0.703 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001097338666 1218782462 /nfs/dbraw/zinc/78/24/62/1218782462.db2.gz UHOOGYMIGFZLTJ-XABYNWHXSA-N 2 2 367.409 0.703 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)c1 ZINC001111449955 1218810283 /nfs/dbraw/zinc/81/02/83/1218810283.db2.gz QFBVDCAWQNFIMW-OAGGEKHMSA-N 2 2 373.457 0.278 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)c1 ZINC001111449955 1218810284 /nfs/dbraw/zinc/81/02/84/1218810284.db2.gz QFBVDCAWQNFIMW-OAGGEKHMSA-N 2 2 373.457 0.278 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001097553368 1218818113 /nfs/dbraw/zinc/81/81/13/1218818113.db2.gz XHOWUOREDITOEA-ZACQAIPSSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001097553368 1218818116 /nfs/dbraw/zinc/81/81/16/1218818116.db2.gz XHOWUOREDITOEA-ZACQAIPSSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)n1 ZINC001097552975 1218818308 /nfs/dbraw/zinc/81/83/08/1218818308.db2.gz KSTGJSVPBSVCQD-ZACQAIPSSA-N 2 2 357.462 0.822 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)n1 ZINC001097552975 1218818309 /nfs/dbraw/zinc/81/83/09/1218818309.db2.gz KSTGJSVPBSVCQD-ZACQAIPSSA-N 2 2 357.462 0.822 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001097734981 1218842447 /nfs/dbraw/zinc/84/24/47/1218842447.db2.gz XIFRFUYGOXNQNI-OAGGEKHMSA-N 2 2 358.446 0.968 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001097734981 1218842451 /nfs/dbraw/zinc/84/24/51/1218842451.db2.gz XIFRFUYGOXNQNI-OAGGEKHMSA-N 2 2 358.446 0.968 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001097737733 1218842932 /nfs/dbraw/zinc/84/29/32/1218842932.db2.gz UHQJSMCMSIPKOT-OAGGEKHMSA-N 2 2 360.458 0.909 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001097737733 1218842934 /nfs/dbraw/zinc/84/29/34/1218842934.db2.gz UHQJSMCMSIPKOT-OAGGEKHMSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097848920 1218851064 /nfs/dbraw/zinc/85/10/64/1218851064.db2.gz WIFFYCQTRUYENG-VQHPVUNQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097848920 1218851066 /nfs/dbraw/zinc/85/10/66/1218851066.db2.gz WIFFYCQTRUYENG-VQHPVUNQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001097848920 1218851067 /nfs/dbraw/zinc/85/10/67/1218851067.db2.gz WIFFYCQTRUYENG-VQHPVUNQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001097848920 1218851069 /nfs/dbraw/zinc/85/10/69/1218851069.db2.gz WIFFYCQTRUYENG-VQHPVUNQSA-N 2 2 364.490 0.051 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052724948 1218860474 /nfs/dbraw/zinc/86/04/74/1218860474.db2.gz FOZDDDAKMFCCPQ-FVQBIDKESA-N 2 2 357.462 0.823 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052724948 1218860475 /nfs/dbraw/zinc/86/04/75/1218860475.db2.gz FOZDDDAKMFCCPQ-FVQBIDKESA-N 2 2 357.462 0.823 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001097878299 1218867348 /nfs/dbraw/zinc/86/73/48/1218867348.db2.gz CVYSDEPQSHMJJX-HHARLNAUSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001097878299 1218867349 /nfs/dbraw/zinc/86/73/49/1218867349.db2.gz CVYSDEPQSHMJJX-HHARLNAUSA-N 2 2 371.485 0.868 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](C[C@H]4CCCOC4)C3)C2)O1 ZINC001053304696 1218879386 /nfs/dbraw/zinc/87/93/86/1218879386.db2.gz OMHULRRQXRCRHG-BRWVUGGUSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](C[C@H]4CCCOC4)C3)C2)O1 ZINC001053304696 1218879387 /nfs/dbraw/zinc/87/93/87/1218879387.db2.gz OMHULRRQXRCRHG-BRWVUGGUSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCOC4)C3)C2)O1 ZINC001053304513 1218879514 /nfs/dbraw/zinc/87/95/14/1218879514.db2.gz IYRXPNGDIJXMBV-IXDOHACOSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCOC4)C3)C2)O1 ZINC001053304513 1218879515 /nfs/dbraw/zinc/87/95/15/1218879515.db2.gz IYRXPNGDIJXMBV-IXDOHACOSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CCn4cccn4)C3)O2)CC[N@@H+]1C ZINC001053602363 1218887996 /nfs/dbraw/zinc/88/79/96/1218887996.db2.gz HLIHOBZMXXWKGX-BRWVUGGUSA-N 2 2 361.490 0.573 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CCn4cccn4)C3)O2)CC[N@H+]1C ZINC001053602363 1218887997 /nfs/dbraw/zinc/88/79/97/1218887997.db2.gz HLIHOBZMXXWKGX-BRWVUGGUSA-N 2 2 361.490 0.573 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001055341485 1219030336 /nfs/dbraw/zinc/03/03/36/1219030336.db2.gz GNMKBYJSGCCKGQ-GBOPCIDUSA-N 2 2 355.446 0.541 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001055341485 1219030337 /nfs/dbraw/zinc/03/03/37/1219030337.db2.gz GNMKBYJSGCCKGQ-GBOPCIDUSA-N 2 2 355.446 0.541 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055456180 1219051796 /nfs/dbraw/zinc/05/17/96/1219051796.db2.gz APPHQWOMCUILKH-QKPAOTATSA-N 2 2 359.474 0.392 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097229 1219168580 /nfs/dbraw/zinc/16/85/80/1219168580.db2.gz IAORJIOQOSIDMW-ZNMIVQPWSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097229 1219168585 /nfs/dbraw/zinc/16/85/85/1219168585.db2.gz IAORJIOQOSIDMW-ZNMIVQPWSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097229 1219168590 /nfs/dbraw/zinc/16/85/90/1219168590.db2.gz IAORJIOQOSIDMW-ZNMIVQPWSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097229 1219168596 /nfs/dbraw/zinc/16/85/96/1219168596.db2.gz IAORJIOQOSIDMW-ZNMIVQPWSA-N 2 2 359.434 0.068 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001070194703 1219286383 /nfs/dbraw/zinc/28/63/83/1219286383.db2.gz JJRKRHQUIHMSSF-ZACQAIPSSA-N 2 2 371.445 0.150 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n4ccnn4)C3)ccn12 ZINC001070195018 1219287191 /nfs/dbraw/zinc/28/71/91/1219287191.db2.gz ZWIQCCHYNBUPFP-IMJJTQAJSA-N 2 2 369.429 0.270 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070197217 1219287772 /nfs/dbraw/zinc/28/77/72/1219287772.db2.gz UEIKJXPNQVEZQB-MIGQKNRLSA-N 2 2 359.434 0.148 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070197217 1219287774 /nfs/dbraw/zinc/28/77/74/1219287774.db2.gz UEIKJXPNQVEZQB-MIGQKNRLSA-N 2 2 359.434 0.148 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220670 1219302776 /nfs/dbraw/zinc/30/27/76/1219302776.db2.gz MHQMEQVKWCOOQW-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070302811 1219361583 /nfs/dbraw/zinc/36/15/83/1219361583.db2.gz GSMIOLXOXHHKLW-KFWWJZLASA-N 2 2 359.434 0.012 20 0 FCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H]2c1nnc(C)[nH]1 ZINC001070446310 1219412586 /nfs/dbraw/zinc/41/25/86/1219412586.db2.gz ZOOUOBAMKQCCHU-VHDGCEQUSA-N 2 2 362.478 0.080 20 0 FCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H]2c1nnc(C)[nH]1 ZINC001070446310 1219412589 /nfs/dbraw/zinc/41/25/89/1219412589.db2.gz ZOOUOBAMKQCCHU-VHDGCEQUSA-N 2 2 362.478 0.080 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953606 1225891750 /nfs/dbraw/zinc/89/17/50/1225891750.db2.gz JHTFWFZLKUTWOQ-IIAWOOMASA-N 2 2 368.522 0.589 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953606 1225891752 /nfs/dbraw/zinc/89/17/52/1225891752.db2.gz JHTFWFZLKUTWOQ-IIAWOOMASA-N 2 2 368.522 0.589 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953180 1225891794 /nfs/dbraw/zinc/89/17/94/1225891794.db2.gz CLIVAAQGOHCYAO-BFYDXBDKSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953180 1225891797 /nfs/dbraw/zinc/89/17/97/1225891797.db2.gz CLIVAAQGOHCYAO-BFYDXBDKSA-N 2 2 368.522 0.591 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4cn(C)cn4)[C@H]([NH2+]CCO)C3)ccn12 ZINC001070493243 1219438023 /nfs/dbraw/zinc/43/80/23/1219438023.db2.gz QCGBUZVZTKSDRS-DOTOQJQBSA-N 2 2 368.441 0.566 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2[NH2+]CCO)c1 ZINC001070505664 1219443483 /nfs/dbraw/zinc/44/34/83/1219443483.db2.gz CNNWNVZTUUFGSG-SUMWQHHRSA-N 2 2 354.414 0.487 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070563718 1219470840 /nfs/dbraw/zinc/47/08/40/1219470840.db2.gz HWTZJZLWPPZWNP-DOTOQJQBSA-N 2 2 358.446 0.588 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CCC12CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001277281224 1225901687 /nfs/dbraw/zinc/90/16/87/1225901687.db2.gz APNHUKOSOLZFJE-UHFFFAOYSA-N 2 2 356.430 0.893 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071066401 1219598650 /nfs/dbraw/zinc/59/86/50/1219598650.db2.gz LHLZTCJSOZIABX-JZXOWHBKSA-N 2 2 362.474 0.424 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071087339 1219603486 /nfs/dbraw/zinc/60/34/86/1219603486.db2.gz ZQPQHRKMSXSOSM-KONPQCLYSA-N 2 2 362.474 0.502 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001071107961 1219608779 /nfs/dbraw/zinc/60/87/79/1219608779.db2.gz VHQXUYFJVQDVTM-UXLLHSPISA-N 2 2 363.462 0.133 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ncccn2)CC1 ZINC001071108011 1219609205 /nfs/dbraw/zinc/60/92/05/1219609205.db2.gz XQDGAGVVUHZOKR-APWZRJJASA-N 2 2 370.457 0.859 20 0 FCADLP C[C@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849755 1219624628 /nfs/dbraw/zinc/62/46/28/1219624628.db2.gz KTKNPZQIJCMSMO-RBSFLKMASA-N 2 2 362.478 0.130 20 0 FCADLP C[C@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849755 1219624631 /nfs/dbraw/zinc/62/46/31/1219624631.db2.gz KTKNPZQIJCMSMO-RBSFLKMASA-N 2 2 362.478 0.130 20 0 FCADLP C[C@H](c1nncn1C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849755 1219624634 /nfs/dbraw/zinc/62/46/34/1219624634.db2.gz KTKNPZQIJCMSMO-RBSFLKMASA-N 2 2 362.478 0.130 20 0 FCADLP C[C@H](c1nncn1C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849755 1219624636 /nfs/dbraw/zinc/62/46/36/1219624636.db2.gz KTKNPZQIJCMSMO-RBSFLKMASA-N 2 2 362.478 0.130 20 0 FCADLP C[C@@H](c1ncccn1)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850297 1219624860 /nfs/dbraw/zinc/62/48/60/1219624860.db2.gz VMHKZKVHNKYRFF-OWCLPIDISA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1ncccn1)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850297 1219624863 /nfs/dbraw/zinc/62/48/63/1219624863.db2.gz VMHKZKVHNKYRFF-OWCLPIDISA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1ncccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850297 1219624868 /nfs/dbraw/zinc/62/48/68/1219624868.db2.gz VMHKZKVHNKYRFF-OWCLPIDISA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1ncccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850297 1219624873 /nfs/dbraw/zinc/62/48/73/1219624873.db2.gz VMHKZKVHNKYRFF-OWCLPIDISA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(F)cn2)C3)O1 ZINC001072850229 1219625312 /nfs/dbraw/zinc/62/53/12/1219625312.db2.gz SRSUWAHDYZZQTJ-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(F)cn2)C3)O1 ZINC001072850229 1219625315 /nfs/dbraw/zinc/62/53/15/1219625315.db2.gz SRSUWAHDYZZQTJ-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(F)cn2)C3)O1 ZINC001072850229 1219625316 /nfs/dbraw/zinc/62/53/16/1219625316.db2.gz SRSUWAHDYZZQTJ-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(F)cn2)C3)O1 ZINC001072850229 1219625318 /nfs/dbraw/zinc/62/53/18/1219625318.db2.gz SRSUWAHDYZZQTJ-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP Cc1oncc1C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073661217 1219676086 /nfs/dbraw/zinc/67/60/86/1219676086.db2.gz ZBQKUICAHPNCDG-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1oncc1C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073661217 1219676089 /nfs/dbraw/zinc/67/60/89/1219676089.db2.gz ZBQKUICAHPNCDG-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1oncc1C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661217 1219676093 /nfs/dbraw/zinc/67/60/93/1219676093.db2.gz ZBQKUICAHPNCDG-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1oncc1C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661217 1219676096 /nfs/dbraw/zinc/67/60/96/1219676096.db2.gz ZBQKUICAHPNCDG-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ncnc2c1C[NH+](C)CC2 ZINC001098362936 1219766253 /nfs/dbraw/zinc/76/62/53/1219766253.db2.gz KKEFPIQVHQSWOX-XJKCOSOUSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ncnc2c1C[NH+](C)CC2 ZINC001098362936 1219766256 /nfs/dbraw/zinc/76/62/56/1219766256.db2.gz KKEFPIQVHQSWOX-XJKCOSOUSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001098362936 1219766257 /nfs/dbraw/zinc/76/62/57/1219766257.db2.gz KKEFPIQVHQSWOX-XJKCOSOUSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001098362936 1219766259 /nfs/dbraw/zinc/76/62/59/1219766259.db2.gz KKEFPIQVHQSWOX-XJKCOSOUSA-N 2 2 362.478 0.100 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098771826 1219823121 /nfs/dbraw/zinc/82/31/21/1219823121.db2.gz AGIPCPLVCPCMQT-SCTDSRPQSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098771826 1219823124 /nfs/dbraw/zinc/82/31/24/1219823124.db2.gz AGIPCPLVCPCMQT-SCTDSRPQSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098771826 1219823125 /nfs/dbraw/zinc/82/31/25/1219823125.db2.gz AGIPCPLVCPCMQT-SCTDSRPQSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098771826 1219823128 /nfs/dbraw/zinc/82/31/28/1219823128.db2.gz AGIPCPLVCPCMQT-SCTDSRPQSA-N 2 2 361.490 0.530 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccnn2C)C3)O1 ZINC001098902192 1219856641 /nfs/dbraw/zinc/85/66/41/1219856641.db2.gz NQDWXSUETPRDFX-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccnn2C)C3)O1 ZINC001098902192 1219856642 /nfs/dbraw/zinc/85/66/42/1219856642.db2.gz NQDWXSUETPRDFX-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccnn2C)C3)O1 ZINC001098902192 1219856644 /nfs/dbraw/zinc/85/66/44/1219856644.db2.gz NQDWXSUETPRDFX-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccnn2C)C3)O1 ZINC001098902192 1219856647 /nfs/dbraw/zinc/85/66/47/1219856647.db2.gz NQDWXSUETPRDFX-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1)NC1CC1 ZINC001098909390 1219859298 /nfs/dbraw/zinc/85/92/98/1219859298.db2.gz PSIZCCDNMBKKNQ-AVYPCKFXSA-N 2 2 371.485 0.695 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1)NC1CC1 ZINC001098909390 1219859300 /nfs/dbraw/zinc/85/93/00/1219859300.db2.gz PSIZCCDNMBKKNQ-AVYPCKFXSA-N 2 2 371.485 0.695 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1C ZINC001099159663 1219934838 /nfs/dbraw/zinc/93/48/38/1219934838.db2.gz HRCVSDBITZUKCL-DOXZYTNZSA-N 2 2 360.506 0.800 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1C ZINC001099159663 1219934841 /nfs/dbraw/zinc/93/48/41/1219934841.db2.gz HRCVSDBITZUKCL-DOXZYTNZSA-N 2 2 360.506 0.800 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1C ZINC001099159663 1219934844 /nfs/dbraw/zinc/93/48/44/1219934844.db2.gz HRCVSDBITZUKCL-DOXZYTNZSA-N 2 2 360.506 0.800 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1C ZINC001099159663 1219934847 /nfs/dbraw/zinc/93/48/47/1219934847.db2.gz HRCVSDBITZUKCL-DOXZYTNZSA-N 2 2 360.506 0.800 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnn(C)c2)C3)C1 ZINC001099170039 1219938092 /nfs/dbraw/zinc/93/80/92/1219938092.db2.gz CIQGANQPBKWYOP-LNLFQRSKSA-N 2 2 361.490 0.612 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnn(C)c2)C3)C1 ZINC001099170039 1219938094 /nfs/dbraw/zinc/93/80/94/1219938094.db2.gz CIQGANQPBKWYOP-LNLFQRSKSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnn(C)c2)C3)C1 ZINC001099170039 1219938097 /nfs/dbraw/zinc/93/80/97/1219938097.db2.gz CIQGANQPBKWYOP-LNLFQRSKSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnn(C)c2)C3)C1 ZINC001099170039 1219938102 /nfs/dbraw/zinc/93/81/02/1219938102.db2.gz CIQGANQPBKWYOP-LNLFQRSKSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001099472960 1220007633 /nfs/dbraw/zinc/00/76/33/1220007633.db2.gz PKNLEFWIXGJYEW-YOEHRIQHSA-N 2 2 358.450 0.215 20 0 FCADLP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCn2cc[nH+]c2)C3)n1 ZINC001099472609 1220007789 /nfs/dbraw/zinc/00/77/89/1220007789.db2.gz ALHAXQXLLJXMNQ-YJBOKZPZSA-N 2 2 357.462 0.820 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000751327009 1220034045 /nfs/dbraw/zinc/03/40/45/1220034045.db2.gz UZFXAYPKKAEPJF-UHFFFAOYSA-N 2 2 364.465 0.786 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)C(=O)Nc1ncccn1 ZINC001228799966 1225951162 /nfs/dbraw/zinc/95/11/62/1225951162.db2.gz CGJOCTDUOVNNNC-BPLDGKMQSA-N 2 2 371.445 0.786 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)NCc1cccnc1 ZINC001228801430 1225952151 /nfs/dbraw/zinc/95/21/51/1225952151.db2.gz ZMHMQFDXYZXZFG-IAGOWNOFSA-N 2 2 370.457 0.681 20 0 FCADLP C[NH+]1CCC(NC(=O)C23CC(NC(=O)Cc4cc[nH+]c(N)c4)(C2)C3)CC1 ZINC001277331386 1225952765 /nfs/dbraw/zinc/95/27/65/1225952765.db2.gz HTNLASOXNCYHDD-UHFFFAOYSA-N 2 2 357.458 0.456 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001101257164 1220249701 /nfs/dbraw/zinc/24/97/01/1220249701.db2.gz JFRHNABLEOLRBI-HFTRVMKXSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001101257164 1220249704 /nfs/dbraw/zinc/24/97/04/1220249704.db2.gz JFRHNABLEOLRBI-HFTRVMKXSA-N 2 2 366.485 0.775 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101341871 1220295692 /nfs/dbraw/zinc/29/56/92/1220295692.db2.gz UKGJTPSFLSCWLJ-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101341871 1220295696 /nfs/dbraw/zinc/29/56/96/1220295696.db2.gz UKGJTPSFLSCWLJ-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375129 1220308894 /nfs/dbraw/zinc/30/88/94/1220308894.db2.gz CSNZSEIZLFXOOT-CLCXKQKWSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375129 1220308897 /nfs/dbraw/zinc/30/88/97/1220308897.db2.gz CSNZSEIZLFXOOT-CLCXKQKWSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCCO[C@H]1CCOC1)C2 ZINC001101375556 1220308932 /nfs/dbraw/zinc/30/89/32/1220308932.db2.gz YNRHQKYOPQJFAC-AYBZRNKSSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCCO[C@H]1CCOC1)C2 ZINC001101375556 1220308937 /nfs/dbraw/zinc/30/89/37/1220308937.db2.gz YNRHQKYOPQJFAC-AYBZRNKSSA-N 2 2 362.474 0.928 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)CC[N@@H+](C)CC)C[C@]3(C)C2)n1C ZINC001101418431 1220333207 /nfs/dbraw/zinc/33/32/07/1220333207.db2.gz QTUYHQOAENNHMZ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@]3(C)C2)n1C ZINC001101418431 1220333211 /nfs/dbraw/zinc/33/32/11/1220333211.db2.gz QTUYHQOAENNHMZ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)n1C ZINC001101418431 1220333216 /nfs/dbraw/zinc/33/32/16/1220333216.db2.gz QTUYHQOAENNHMZ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)n1C ZINC001101418431 1220333219 /nfs/dbraw/zinc/33/32/19/1220333219.db2.gz QTUYHQOAENNHMZ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101430200 1220339900 /nfs/dbraw/zinc/33/99/00/1220339900.db2.gz UFPSUDHEMOVMKB-BEFAXECRSA-N 2 2 359.474 0.269 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101430200 1220339903 /nfs/dbraw/zinc/33/99/03/1220339903.db2.gz UFPSUDHEMOVMKB-BEFAXECRSA-N 2 2 359.474 0.269 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101477246 1220367402 /nfs/dbraw/zinc/36/74/02/1220367402.db2.gz KMPFWIKYAXNTOF-KDOFPFPSSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101477246 1220367405 /nfs/dbraw/zinc/36/74/05/1220367405.db2.gz KMPFWIKYAXNTOF-KDOFPFPSSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101477246 1220367408 /nfs/dbraw/zinc/36/74/08/1220367408.db2.gz KMPFWIKYAXNTOF-KDOFPFPSSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101477246 1220367410 /nfs/dbraw/zinc/36/74/10/1220367410.db2.gz KMPFWIKYAXNTOF-KDOFPFPSSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487923 1220371161 /nfs/dbraw/zinc/37/11/61/1220371161.db2.gz ALRCEAPAEQYXLC-BEFAXECRSA-N 2 2 361.490 0.826 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487923 1220371167 /nfs/dbraw/zinc/37/11/67/1220371167.db2.gz ALRCEAPAEQYXLC-BEFAXECRSA-N 2 2 361.490 0.826 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488285 1220373044 /nfs/dbraw/zinc/37/30/44/1220373044.db2.gz XFHVVQVYKZWBFO-FCEWJHQRSA-N 2 2 361.490 0.919 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488285 1220373047 /nfs/dbraw/zinc/37/30/47/1220373047.db2.gz XFHVVQVYKZWBFO-FCEWJHQRSA-N 2 2 361.490 0.919 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927492 1220435999 /nfs/dbraw/zinc/43/59/99/1220435999.db2.gz HOJMZYNIUQUAOB-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927492 1220436004 /nfs/dbraw/zinc/43/60/04/1220436004.db2.gz HOJMZYNIUQUAOB-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974509 1220450038 /nfs/dbraw/zinc/45/00/38/1220450038.db2.gz BMCPJJSTLXBBIP-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974509 1220450042 /nfs/dbraw/zinc/45/00/42/1220450042.db2.gz BMCPJJSTLXBBIP-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101987067 1220453738 /nfs/dbraw/zinc/45/37/38/1220453738.db2.gz WSBHMUUNYZWIFS-IIAWOOMASA-N 2 2 359.474 0.335 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101987067 1220453741 /nfs/dbraw/zinc/45/37/41/1220453741.db2.gz WSBHMUUNYZWIFS-IIAWOOMASA-N 2 2 359.474 0.335 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102100871 1220495725 /nfs/dbraw/zinc/49/57/25/1220495725.db2.gz AUBKEYXLQNSJQD-HUUCEWRRSA-N 2 2 365.526 0.998 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102100871 1220495728 /nfs/dbraw/zinc/49/57/28/1220495728.db2.gz AUBKEYXLQNSJQD-HUUCEWRRSA-N 2 2 365.526 0.998 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102100871 1220495735 /nfs/dbraw/zinc/49/57/35/1220495735.db2.gz AUBKEYXLQNSJQD-HUUCEWRRSA-N 2 2 365.526 0.998 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102100871 1220495739 /nfs/dbraw/zinc/49/57/39/1220495739.db2.gz AUBKEYXLQNSJQD-HUUCEWRRSA-N 2 2 365.526 0.998 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104011 1220496040 /nfs/dbraw/zinc/49/60/40/1220496040.db2.gz AZKCPIMXJVEXLP-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104011 1220496043 /nfs/dbraw/zinc/49/60/43/1220496043.db2.gz AZKCPIMXJVEXLP-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177190 1220537458 /nfs/dbraw/zinc/53/74/58/1220537458.db2.gz MPLCQJKLPUQGRI-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177190 1220537462 /nfs/dbraw/zinc/53/74/62/1220537462.db2.gz MPLCQJKLPUQGRI-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP 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CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001103740332 1220959149 /nfs/dbraw/zinc/95/91/49/1220959149.db2.gz DCFHFKVTIXRNPE-FVQBIDKESA-N 2 2 365.478 0.673 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001103740332 1220959153 /nfs/dbraw/zinc/95/91/53/1220959153.db2.gz DCFHFKVTIXRNPE-FVQBIDKESA-N 2 2 365.478 0.673 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001103740332 1220959157 /nfs/dbraw/zinc/95/91/57/1220959157.db2.gz DCFHFKVTIXRNPE-FVQBIDKESA-N 2 2 365.478 0.673 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001103779153 1220971933 /nfs/dbraw/zinc/97/19/33/1220971933.db2.gz OVVNCVOAQZOMIN-HUUCEWRRSA-N 2 2 358.446 0.956 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001103779153 1220971937 /nfs/dbraw/zinc/97/19/37/1220971937.db2.gz OVVNCVOAQZOMIN-HUUCEWRRSA-N 2 2 358.446 0.956 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779899 1220972783 /nfs/dbraw/zinc/97/27/83/1220972783.db2.gz ONHHQVMPMDHNAB-ZACQAIPSSA-N 2 2 360.462 0.215 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779899 1220972785 /nfs/dbraw/zinc/97/27/85/1220972785.db2.gz ONHHQVMPMDHNAB-ZACQAIPSSA-N 2 2 360.462 0.215 20 0 FCADLP CCn1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033851 1221001436 /nfs/dbraw/zinc/00/14/36/1221001436.db2.gz JKBDELBOMQXKKY-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033851 1221001437 /nfs/dbraw/zinc/00/14/37/1221001437.db2.gz JKBDELBOMQXKKY-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111728762 1221078116 /nfs/dbraw/zinc/07/81/16/1221078116.db2.gz MZBTWJQPQLVUTJ-KXBFYZLASA-N 2 2 359.474 0.839 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111728762 1221078120 /nfs/dbraw/zinc/07/81/20/1221078120.db2.gz MZBTWJQPQLVUTJ-KXBFYZLASA-N 2 2 359.474 0.839 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111773926 1221102098 /nfs/dbraw/zinc/10/20/98/1221102098.db2.gz VWQZFLNQGXFYND-KXBFYZLASA-N 2 2 359.474 0.935 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111773926 1221102101 /nfs/dbraw/zinc/10/21/01/1221102101.db2.gz VWQZFLNQGXFYND-KXBFYZLASA-N 2 2 359.474 0.935 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111773926 1221102104 /nfs/dbraw/zinc/10/21/04/1221102104.db2.gz VWQZFLNQGXFYND-KXBFYZLASA-N 2 2 359.474 0.935 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111773926 1221102107 /nfs/dbraw/zinc/10/21/07/1221102107.db2.gz VWQZFLNQGXFYND-KXBFYZLASA-N 2 2 359.474 0.935 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792865 1221112056 /nfs/dbraw/zinc/11/20/56/1221112056.db2.gz RKNSXAFOPIQEQX-VCBZYWHSSA-N 2 2 359.474 0.552 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001111792865 1221112057 /nfs/dbraw/zinc/11/20/57/1221112057.db2.gz RKNSXAFOPIQEQX-VCBZYWHSSA-N 2 2 359.474 0.552 20 0 FCADLP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000782276689 1221141037 /nfs/dbraw/zinc/14/10/37/1221141037.db2.gz MJZALWKTRGBOTF-KRWDZBQOSA-N 2 2 367.490 0.790 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(N(C)C)no1)C2 ZINC001111926805 1221173423 /nfs/dbraw/zinc/17/34/23/1221173423.db2.gz JQVBAZHGRRCPCM-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(N(C)C)no1)C2 ZINC001111926805 1221173425 /nfs/dbraw/zinc/17/34/25/1221173425.db2.gz JQVBAZHGRRCPCM-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(N(C)C)no1)C2 ZINC001111926805 1221173427 /nfs/dbraw/zinc/17/34/27/1221173427.db2.gz JQVBAZHGRRCPCM-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(N(C)C)no1)C2 ZINC001111926805 1221173430 /nfs/dbraw/zinc/17/34/30/1221173430.db2.gz JQVBAZHGRRCPCM-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938202 1221179278 /nfs/dbraw/zinc/17/92/78/1221179278.db2.gz PZSRYKIDHKBCFT-GMBSWORKSA-N 2 2 361.490 0.977 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938202 1221179281 /nfs/dbraw/zinc/17/92/81/1221179281.db2.gz PZSRYKIDHKBCFT-GMBSWORKSA-N 2 2 361.490 0.977 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986153 1221195153 /nfs/dbraw/zinc/19/51/53/1221195153.db2.gz IGXWLURPIIKMHS-BXWFABGCSA-N 2 2 366.506 0.062 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986153 1221195155 /nfs/dbraw/zinc/19/51/55/1221195155.db2.gz IGXWLURPIIKMHS-BXWFABGCSA-N 2 2 366.506 0.062 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(N(C)C)no1)C2 ZINC001112007991 1221199993 /nfs/dbraw/zinc/19/99/93/1221199993.db2.gz NBBSZHNWXWVTEZ-KSSFIOAISA-N 2 2 364.494 0.947 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(N(C)C)no1)C2 ZINC001112007991 1221199995 /nfs/dbraw/zinc/19/99/95/1221199995.db2.gz NBBSZHNWXWVTEZ-KSSFIOAISA-N 2 2 364.494 0.947 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(N(C)C)no1)C2 ZINC001112007991 1221199998 /nfs/dbraw/zinc/19/99/98/1221199998.db2.gz NBBSZHNWXWVTEZ-KSSFIOAISA-N 2 2 364.494 0.947 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(N(C)C)no1)C2 ZINC001112007991 1221200000 /nfs/dbraw/zinc/20/00/00/1221200000.db2.gz NBBSZHNWXWVTEZ-KSSFIOAISA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784464947 1221244785 /nfs/dbraw/zinc/24/47/85/1221244785.db2.gz FAIRCJDPZCXIHN-HNNXBMFYSA-N 2 2 373.457 0.693 20 0 FCADLP C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001229693394 1226028739 /nfs/dbraw/zinc/02/87/39/1226028739.db2.gz RNUFHMXGWSBLSO-IAOVAPTHSA-N 2 2 361.490 0.894 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001117045880 1221445237 /nfs/dbraw/zinc/44/52/37/1221445237.db2.gz FXXBMVSQCNRRGK-AWEZNQCLSA-N 2 2 372.473 0.836 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC001117171408 1221487140 /nfs/dbraw/zinc/48/71/40/1221487140.db2.gz YKEZIFZGLSJJJL-HOCLYGCPSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1(F)F ZINC001117896373 1221644649 /nfs/dbraw/zinc/64/46/49/1221644649.db2.gz NDXXWQXRUXLQID-CQSZACIVSA-N 2 2 374.476 0.975 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1(F)F ZINC001117896373 1221644652 /nfs/dbraw/zinc/64/46/52/1221644652.db2.gz NDXXWQXRUXLQID-CQSZACIVSA-N 2 2 374.476 0.975 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC001117903157 1221648112 /nfs/dbraw/zinc/64/81/12/1221648112.db2.gz VHVUWNAJBUOFDG-HNNXBMFYSA-N 2 2 368.522 0.233 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC001117903157 1221648121 /nfs/dbraw/zinc/64/81/21/1221648121.db2.gz VHVUWNAJBUOFDG-HNNXBMFYSA-N 2 2 368.522 0.233 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H]1n1cc[nH+]c1 ZINC001118268813 1221747397 /nfs/dbraw/zinc/74/73/97/1221747397.db2.gz YMQBVLJPQHNPRK-DRMAHVMPSA-N 2 2 359.474 0.880 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)C(=O)Nc1ncccn1 ZINC001230347963 1226075695 /nfs/dbraw/zinc/07/56/95/1226075695.db2.gz OZOZFDSVMWMQCF-RBSFLKMASA-N 2 2 371.445 0.717 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NCc1ccco1 ZINC001230348057 1226076910 /nfs/dbraw/zinc/07/69/10/1226076910.db2.gz RUVFPXAHKUAHOU-HZPDHXFCSA-N 2 2 359.430 0.810 20 0 FCADLP CN(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791782 1222212435 /nfs/dbraw/zinc/21/24/35/1222212435.db2.gz YTMGLBHRCHATSO-AGTUJZOGSA-N 2 2 359.474 0.629 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001121917538 1222223196 /nfs/dbraw/zinc/22/31/96/1222223196.db2.gz VPSITGGGZFGSQT-GOSISDBHSA-N 2 2 362.474 0.526 20 0 FCADLP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001121928313 1222224957 /nfs/dbraw/zinc/22/49/57/1222224957.db2.gz MPVSZAKTELRDKD-MGPUTAFESA-N 2 2 360.502 0.795 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CC[NH+](Cc1c[nH]ccc1=O)CC2 ZINC001277527770 1226109280 /nfs/dbraw/zinc/10/92/80/1226109280.db2.gz JROWUNQDSAQRTH-INIZCTEOSA-N 2 2 355.442 0.990 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001138468617 1222511799 /nfs/dbraw/zinc/51/17/99/1222511799.db2.gz WLEJAOMDALQJDK-UHFFFAOYSA-N 2 2 373.461 0.832 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001138468617 1222511800 /nfs/dbraw/zinc/51/18/00/1222511800.db2.gz WLEJAOMDALQJDK-UHFFFAOYSA-N 2 2 373.461 0.832 20 0 FCADLP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001139778402 1222557819 /nfs/dbraw/zinc/55/78/19/1222557819.db2.gz DZDLVINZLYNSDN-MRXNPFEDSA-N 2 2 363.458 0.881 20 0 FCADLP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001139778402 1222557822 /nfs/dbraw/zinc/55/78/22/1222557822.db2.gz DZDLVINZLYNSDN-MRXNPFEDSA-N 2 2 363.458 0.881 20 0 FCADLP COc1ccnc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001231967014 1226136463 /nfs/dbraw/zinc/13/64/63/1226136463.db2.gz NMJXMWCJQCFNMY-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccnc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001231967014 1226136464 /nfs/dbraw/zinc/13/64/64/1226136464.db2.gz NMJXMWCJQCFNMY-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccnc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001231967014 1226136467 /nfs/dbraw/zinc/13/64/67/1226136467.db2.gz NMJXMWCJQCFNMY-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccnc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001231967014 1226136470 /nfs/dbraw/zinc/13/64/70/1226136470.db2.gz NMJXMWCJQCFNMY-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817432 1222591468 /nfs/dbraw/zinc/59/14/68/1222591468.db2.gz QUQBWYLXADJXFS-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817432 1222591472 /nfs/dbraw/zinc/59/14/72/1222591472.db2.gz QUQBWYLXADJXFS-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817432 1222591476 /nfs/dbraw/zinc/59/14/76/1222591476.db2.gz QUQBWYLXADJXFS-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817432 1222591477 /nfs/dbraw/zinc/59/14/77/1222591477.db2.gz QUQBWYLXADJXFS-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C[C@H]21 ZINC001232149918 1226142204 /nfs/dbraw/zinc/14/22/04/1226142204.db2.gz MKUYJDTVUPGXOF-MSOLQXFVSA-N 2 2 364.465 0.518 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@@H+](Cc3cc(F)cc(C[NH+](C)C)c3)C[C@H]21 ZINC001232149918 1226142209 /nfs/dbraw/zinc/14/22/09/1226142209.db2.gz MKUYJDTVUPGXOF-MSOLQXFVSA-N 2 2 364.465 0.518 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+](C[C@@H]3CCOC3)CC1)n2C ZINC001142251014 1222818793 /nfs/dbraw/zinc/81/87/93/1222818793.db2.gz TYACWKMNDRTBHR-AWEZNQCLSA-N 2 2 372.473 0.829 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)/C=C/c3ccoc3)CC2)C1=O ZINC001142259733 1222819709 /nfs/dbraw/zinc/81/97/09/1222819709.db2.gz BIWOUYRQZAIXEW-SNAWJCMRSA-N 2 2 374.485 0.990 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)/C=C/c3ccoc3)CC2)C1=O ZINC001142259733 1222819711 /nfs/dbraw/zinc/81/97/11/1222819711.db2.gz BIWOUYRQZAIXEW-SNAWJCMRSA-N 2 2 374.485 0.990 20 0 FCADLP CN1c2ccc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2CCC1=O ZINC000843066637 1222858652 /nfs/dbraw/zinc/85/86/52/1222858652.db2.gz ZOSSNJQELAARGR-QGZVFWFLSA-N 2 2 356.470 0.992 20 0 FCADLP CN1c2ccc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2CCC1=O ZINC000843066637 1222858654 /nfs/dbraw/zinc/85/86/54/1222858654.db2.gz ZOSSNJQELAARGR-QGZVFWFLSA-N 2 2 356.470 0.992 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C4CC[NH2+]CC4)n3)cn2)CC1 ZINC000843206315 1222860437 /nfs/dbraw/zinc/86/04/37/1222860437.db2.gz LYMQXIORQHLGEP-UHFFFAOYSA-N 2 2 356.430 0.986 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277697273 1226160564 /nfs/dbraw/zinc/16/05/64/1226160564.db2.gz IWWNTXDCKFYZTK-SWLSCSKDSA-N 2 2 374.363 0.684 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277697273 1226160566 /nfs/dbraw/zinc/16/05/66/1226160566.db2.gz IWWNTXDCKFYZTK-SWLSCSKDSA-N 2 2 374.363 0.684 20 0 FCADLP CN(C(=O)CCCCC[NH3+])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000843489396 1222878859 /nfs/dbraw/zinc/87/88/59/1222878859.db2.gz MJWSGFBHBSDFFX-UHFFFAOYSA-N 3 2 367.538 0.202 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]cn1 ZINC001155602936 1223039702 /nfs/dbraw/zinc/03/97/02/1223039702.db2.gz STUDABVYKJPVDH-DEYYWGMASA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC001155602936 1223039706 /nfs/dbraw/zinc/03/97/06/1223039706.db2.gz STUDABVYKJPVDH-DEYYWGMASA-N 2 2 360.462 0.501 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000977804452 1248651770 /nfs/dbraw/zinc/65/17/70/1248651770.db2.gz DEIPZIPIDOUWOI-HYVNUMGLSA-N 2 2 361.490 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000977804452 1248651784 /nfs/dbraw/zinc/65/17/84/1248651784.db2.gz DEIPZIPIDOUWOI-HYVNUMGLSA-N 2 2 361.490 0.752 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000246564030 1223080610 /nfs/dbraw/zinc/08/06/10/1223080610.db2.gz LXYZQKKZSWPHDM-OKZBNKHCSA-N 2 2 369.554 0.621 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000246564030 1223080614 /nfs/dbraw/zinc/08/06/14/1223080614.db2.gz LXYZQKKZSWPHDM-OKZBNKHCSA-N 2 2 369.554 0.621 20 0 FCADLP COc1cc(N2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)cc[nH+]1 ZINC001158098173 1223089153 /nfs/dbraw/zinc/08/91/53/1223089153.db2.gz MFCHQGCAFLEPHR-UHFFFAOYSA-N 2 2 369.473 0.959 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC2CC2)O1 ZINC001158123750 1223089649 /nfs/dbraw/zinc/08/96/49/1223089649.db2.gz BKYCUKLUESOPOU-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NC2CC2)O1 ZINC001158123750 1223089654 /nfs/dbraw/zinc/08/96/54/1223089654.db2.gz BKYCUKLUESOPOU-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)NC2CC2)O1 ZINC001158123750 1223089657 /nfs/dbraw/zinc/08/96/57/1223089657.db2.gz BKYCUKLUESOPOU-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)NC2CC2)O1 ZINC001158123750 1223089660 /nfs/dbraw/zinc/08/96/60/1223089660.db2.gz BKYCUKLUESOPOU-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C2 ZINC001158431257 1223097969 /nfs/dbraw/zinc/09/79/69/1223097969.db2.gz OUHZIIFQKYGYPU-CYBMUJFWSA-N 2 2 358.402 0.069 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158548133 1223102260 /nfs/dbraw/zinc/10/22/60/1223102260.db2.gz QUWMSQLWJVGFSO-HBFSDRIKSA-N 3 2 353.470 0.896 20 0 FCADLP [NH3+][C@H](C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1)C1CCC(O)CC1 ZINC001158821176 1223110408 /nfs/dbraw/zinc/11/04/08/1223110408.db2.gz BMFPZKCGPOREMY-FVKWTLKZSA-N 2 2 359.430 0.683 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)C1 ZINC001158924877 1223112947 /nfs/dbraw/zinc/11/29/47/1223112947.db2.gz BCHASOZNSSTEJG-JTDSTZFVSA-N 2 2 360.433 0.466 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001159076241 1223116899 /nfs/dbraw/zinc/11/68/99/1223116899.db2.gz HIYMNMOZSVPHQG-MAUKXSAKSA-N 2 2 365.474 0.241 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001159076222 1223116928 /nfs/dbraw/zinc/11/69/28/1223116928.db2.gz HDAISQCXHKOGHT-APWZRJJASA-N 2 2 367.490 0.631 20 0 FCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001159090550 1223117431 /nfs/dbraw/zinc/11/74/31/1223117431.db2.gz DSNITRXPPLYJCZ-IXDOHACOSA-N 2 2 368.441 0.399 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)O1 ZINC001159245599 1223121504 /nfs/dbraw/zinc/12/15/04/1223121504.db2.gz MOBIMLZEBAAAAI-HPTBWKMGSA-N 2 2 364.450 0.067 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)O1 ZINC001159245599 1223121506 /nfs/dbraw/zinc/12/15/06/1223121506.db2.gz MOBIMLZEBAAAAI-HPTBWKMGSA-N 2 2 364.450 0.067 20 0 FCADLP [NH3+]C1(C(=O)N2Cc3cncn3C[C@H](COc3cccnc3)C2)CC[NH2+]CC1 ZINC001159283713 1223122992 /nfs/dbraw/zinc/12/29/92/1223122992.db2.gz SUEQUGJVLGDXNU-OAHLLOKOSA-N 2 2 370.457 0.396 20 0 FCADLP COC(=O)[C@@H]([NH3+])CC(=O)N(c1cccc(C)c1)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001159337962 1223124618 /nfs/dbraw/zinc/12/46/18/1223124618.db2.gz CJGWGWVZEFEJKT-JTDSTZFVSA-N 2 2 361.442 0.739 20 0 FCADLP Cc1cccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159341017 1223125180 /nfs/dbraw/zinc/12/51/80/1223125180.db2.gz ZJXGIDGTSOBPGU-MJGOQNOKSA-N 3 2 358.486 0.930 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159516069 1223129143 /nfs/dbraw/zinc/12/91/43/1223129143.db2.gz YQMMHLAUNSSPTC-ZDUSSCGKSA-N 2 2 361.450 0.398 20 0 FCADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001159636096 1223131709 /nfs/dbraw/zinc/13/17/09/1223131709.db2.gz RYLRWIUQWQTZPS-HOCLYGCPSA-N 2 2 370.457 0.609 20 0 FCADLP C[C@]1(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CCC[NH2+]1 ZINC001159633390 1223131917 /nfs/dbraw/zinc/13/19/17/1223131917.db2.gz LIOWQQHVBYCSNY-GOSISDBHSA-N 2 2 356.430 0.363 20 0 FCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001159680609 1223133485 /nfs/dbraw/zinc/13/34/85/1223133485.db2.gz KNDOOSXSWQNPPP-HOCLYGCPSA-N 2 2 372.448 0.935 20 0 FCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159994656 1223142235 /nfs/dbraw/zinc/14/22/35/1223142235.db2.gz SUIDBSGDHCVUGQ-KRWDZBQOSA-N 3 2 373.501 0.046 20 0 FCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159994656 1223142239 /nfs/dbraw/zinc/14/22/39/1223142239.db2.gz SUIDBSGDHCVUGQ-KRWDZBQOSA-N 3 2 373.501 0.046 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001160015665 1223142787 /nfs/dbraw/zinc/14/27/87/1223142787.db2.gz FCEXSFYLAODTFK-GJZGRUSLSA-N 2 2 356.430 0.136 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175547 1223147961 /nfs/dbraw/zinc/14/79/61/1223147961.db2.gz XZKGTGNXRBGESL-IJEWVQPXSA-N 2 2 361.494 0.750 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175547 1223147964 /nfs/dbraw/zinc/14/79/64/1223147964.db2.gz XZKGTGNXRBGESL-IJEWVQPXSA-N 2 2 361.494 0.750 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175547 1223147967 /nfs/dbraw/zinc/14/79/67/1223147967.db2.gz XZKGTGNXRBGESL-IJEWVQPXSA-N 2 2 361.494 0.750 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175547 1223147968 /nfs/dbraw/zinc/14/79/68/1223147968.db2.gz XZKGTGNXRBGESL-IJEWVQPXSA-N 2 2 361.494 0.750 20 0 FCADLP O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001160203148 1223149870 /nfs/dbraw/zinc/14/98/70/1223149870.db2.gz QNHBAAYBEHMVMU-VSZNYVQBSA-N 2 2 374.529 0.871 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482484 1223162298 /nfs/dbraw/zinc/16/22/98/1223162298.db2.gz ILXVJBCMFUXGCK-YJBOKZPZSA-N 2 2 361.490 0.258 20 0 FCADLP CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001160490460 1223162470 /nfs/dbraw/zinc/16/24/70/1223162470.db2.gz RKJXXZQSKXRJNJ-WBVHZDCISA-N 2 2 359.478 0.471 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC001160568555 1223164909 /nfs/dbraw/zinc/16/49/09/1223164909.db2.gz DJQAAEMDHXOAKI-QGZVFWFLSA-N 2 2 361.442 0.496 20 0 FCADLP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160565415 1223164978 /nfs/dbraw/zinc/16/49/78/1223164978.db2.gz FBWGTYCWVKCUBK-KRWDZBQOSA-N 2 2 367.457 0.511 20 0 FCADLP COC(=O)c1ccc(CN2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)cc1 ZINC001160569895 1223165391 /nfs/dbraw/zinc/16/53/91/1223165391.db2.gz XOXXRWIJVNORQP-PXNSSMCTSA-N 2 2 372.469 0.069 20 0 FCADLP [NH3+]C1(C(=O)N2CCn3c(Cc4ccc(F)cc4)nnc3C2)CC[NH2+]CC1 ZINC001160629955 1223166815 /nfs/dbraw/zinc/16/68/15/1223166815.db2.gz WAFYZLMUUSMYGZ-UHFFFAOYSA-N 2 2 358.421 0.431 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001160695377 1223168562 /nfs/dbraw/zinc/16/85/62/1223168562.db2.gz DYYJJYKYYVHLJF-HNNXBMFYSA-N 2 2 372.429 0.057 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc(-c3ccoc3)n2)O1 ZINC001160856952 1223177507 /nfs/dbraw/zinc/17/75/07/1223177507.db2.gz ASRRLQVDSSVMLB-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc(-c3ccoc3)n2)O1 ZINC001160856952 1223177511 /nfs/dbraw/zinc/17/75/11/1223177511.db2.gz ASRRLQVDSSVMLB-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161138364 1223186782 /nfs/dbraw/zinc/18/67/82/1223186782.db2.gz SUYKEDFJJZNNLR-QAPCUYQASA-N 2 2 359.426 0.439 20 0 FCADLP O=C([C@H]1C[NH2+]C[C@H](F)C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196351 1223188509 /nfs/dbraw/zinc/18/85/09/1223188509.db2.gz DLJBKQKOLJZETI-QZTJIDSGSA-N 3 2 370.513 0.485 20 0 FCADLP CCn1c2ccccc2nc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161297211 1223194192 /nfs/dbraw/zinc/19/41/92/1223194192.db2.gz SZDYBBHGHLCKDV-QRWLVFNGSA-N 2 2 368.485 0.656 20 0 FCADLP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380836 1223197959 /nfs/dbraw/zinc/19/79/59/1223197959.db2.gz VYNKJAOKYJRWNC-QFBILLFUSA-N 3 2 358.486 0.906 20 0 FCADLP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423612 1223198938 /nfs/dbraw/zinc/19/89/38/1223198938.db2.gz HAKOFHVAHZULIV-BBRMVZONSA-N 2 2 357.410 0.675 20 0 FCADLP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423612 1223198939 /nfs/dbraw/zinc/19/89/39/1223198939.db2.gz HAKOFHVAHZULIV-BBRMVZONSA-N 2 2 357.410 0.675 20 0 FCADLP CCOC(=O)c1c2c(nn1C)CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C2 ZINC001161604927 1223205489 /nfs/dbraw/zinc/20/54/89/1223205489.db2.gz RPSBYBWTOWOGJK-CQSZACIVSA-N 2 2 357.414 0.711 20 0 FCADLP CCOC(=O)c1cc2c[nH+]c(NCc3nnc4n3CCC[NH2+]C4)nc2[nH]1 ZINC001163011448 1223223112 /nfs/dbraw/zinc/22/31/12/1223223112.db2.gz JCSZKXRSYKVXEV-UHFFFAOYSA-N 2 2 356.390 0.783 20 0 FCADLP Cc1oncc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996702 1223223635 /nfs/dbraw/zinc/22/36/35/1223223635.db2.gz XOVQUJJXEIXQKJ-SJORKVTESA-N 2 2 366.462 0.459 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ncc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163177056 1223227740 /nfs/dbraw/zinc/22/77/40/1223227740.db2.gz ALACOWXYDKKBNF-KBAYOESNSA-N 2 2 362.474 0.829 20 0 FCADLP [NH3+]CCCC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)C(=O)N1CCCC1 ZINC001163454975 1223230518 /nfs/dbraw/zinc/23/05/18/1223230518.db2.gz CVJDALNCTWYDFN-HNNXBMFYSA-N 2 2 362.478 0.845 20 0 FCADLP [NH3+]CCCC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)C(=O)N1CCCC1 ZINC001163454975 1223230521 /nfs/dbraw/zinc/23/05/21/1223230521.db2.gz CVJDALNCTWYDFN-HNNXBMFYSA-N 2 2 362.478 0.845 20 0 FCADLP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001164306657 1223237434 /nfs/dbraw/zinc/23/74/34/1223237434.db2.gz MXJLYYSLOKPXCU-ATGSNQNLSA-N 2 2 362.430 0.181 20 0 FCADLP c1cn(Cc2noc3c2CN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)c[nH+]1 ZINC001165548609 1223248723 /nfs/dbraw/zinc/24/87/23/1223248723.db2.gz AEBSZAGFSWTSRY-UHFFFAOYSA-N 2 2 366.429 0.682 20 0 FCADLP c1cnc(N2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)C[C@H]32)nc1 ZINC001165593813 1223249839 /nfs/dbraw/zinc/24/98/39/1223249839.db2.gz OUFCRJYEMGQTBZ-SJORKVTESA-N 2 2 367.457 0.375 20 0 FCADLP O=C(NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001165594247 1223250029 /nfs/dbraw/zinc/25/00/29/1223250029.db2.gz WSBUVUCDRSAGGC-JHJVBQTASA-N 2 2 359.430 0.195 20 0 FCADLP O=C(NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001165594247 1223250033 /nfs/dbraw/zinc/25/00/33/1223250033.db2.gz WSBUVUCDRSAGGC-JHJVBQTASA-N 2 2 359.430 0.195 20 0 FCADLP O=C1COc2cc[nH+]c(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2N1 ZINC001165969352 1223263445 /nfs/dbraw/zinc/26/34/45/1223263445.db2.gz JYMLVNVWOFPXSQ-UHFFFAOYSA-N 2 2 365.397 0.917 20 0 FCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001166315635 1223272483 /nfs/dbraw/zinc/27/24/83/1223272483.db2.gz NZQUELAFWYBGBA-BBWFWOEESA-N 2 2 369.506 0.123 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCCC2 ZINC001166960990 1223290409 /nfs/dbraw/zinc/29/04/09/1223290409.db2.gz MNMGVFZIPAQXIG-ZIAGYGMSSA-N 2 2 357.462 0.748 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2ccncc2)CC3)cn1 ZINC001204082649 1223300282 /nfs/dbraw/zinc/30/02/82/1223300282.db2.gz IIWUSGHQGWQYBB-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2ccncc2)CC3)cn1 ZINC001204082649 1223300287 /nfs/dbraw/zinc/30/02/87/1223300287.db2.gz IIWUSGHQGWQYBB-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cncc(F)c3)CC2)C1=O ZINC001207020670 1223406197 /nfs/dbraw/zinc/40/61/97/1223406197.db2.gz KFVMGZFYYUVYFW-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cncc(F)c3)CC2)C1=O ZINC001207020670 1223406203 /nfs/dbraw/zinc/40/62/03/1223406203.db2.gz KFVMGZFYYUVYFW-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CC(C)(C)C[NH+](C)C)CC2 ZINC001207280817 1223432312 /nfs/dbraw/zinc/43/23/12/1223432312.db2.gz WVMPKQCKYNCLLH-UHFFFAOYSA-N 3 2 367.582 0.744 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207280817 1223432317 /nfs/dbraw/zinc/43/23/17/1223432317.db2.gz WVMPKQCKYNCLLH-UHFFFAOYSA-N 3 2 367.582 0.744 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207280817 1223432322 /nfs/dbraw/zinc/43/23/22/1223432322.db2.gz WVMPKQCKYNCLLH-UHFFFAOYSA-N 3 2 367.582 0.744 20 0 FCADLP CC(C)(CN1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)[NH+]1CCOCC1 ZINC001207302126 1223434775 /nfs/dbraw/zinc/43/47/75/1223434775.db2.gz GOQQQDLWWPTLPI-SJORKVTESA-N 2 2 361.490 0.725 20 0 FCADLP CC(C)(CN1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)[NH+]1CCOCC1 ZINC001207302126 1223434780 /nfs/dbraw/zinc/43/47/80/1223434780.db2.gz GOQQQDLWWPTLPI-SJORKVTESA-N 2 2 361.490 0.725 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001207762519 1223477214 /nfs/dbraw/zinc/47/72/14/1223477214.db2.gz WGWDOSDCBZJZIU-DDUZABMNSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001207762519 1223477219 /nfs/dbraw/zinc/47/72/19/1223477219.db2.gz WGWDOSDCBZJZIU-DDUZABMNSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001207762519 1223477224 /nfs/dbraw/zinc/47/72/24/1223477224.db2.gz WGWDOSDCBZJZIU-DDUZABMNSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001207762519 1223477226 /nfs/dbraw/zinc/47/72/26/1223477226.db2.gz WGWDOSDCBZJZIU-DDUZABMNSA-N 2 2 364.490 0.923 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946387 1223499589 /nfs/dbraw/zinc/49/95/89/1223499589.db2.gz AMIQLQSZZXOWHR-RHSMWYFYSA-N 2 2 370.457 0.844 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207946387 1223499590 /nfs/dbraw/zinc/49/95/90/1223499590.db2.gz AMIQLQSZZXOWHR-RHSMWYFYSA-N 2 2 370.457 0.844 20 0 FCADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208066250 1223512299 /nfs/dbraw/zinc/51/22/99/1223512299.db2.gz QYNUABZULUWCIE-OWCLPIDISA-N 2 2 359.474 0.481 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208404756 1223540333 /nfs/dbraw/zinc/54/03/33/1223540333.db2.gz BGWQKIRIJLGNPC-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208404756 1223540336 /nfs/dbraw/zinc/54/03/36/1223540336.db2.gz BGWQKIRIJLGNPC-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208404756 1223540339 /nfs/dbraw/zinc/54/03/39/1223540339.db2.gz BGWQKIRIJLGNPC-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208404756 1223540341 /nfs/dbraw/zinc/54/03/41/1223540341.db2.gz BGWQKIRIJLGNPC-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1=O ZINC001208434971 1223545723 /nfs/dbraw/zinc/54/57/23/1223545723.db2.gz LUHVBAJMJCNCAO-UKRRQHHQSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1=O ZINC001208434971 1223545728 /nfs/dbraw/zinc/54/57/28/1223545728.db2.gz LUHVBAJMJCNCAO-UKRRQHHQSA-N 2 2 363.458 0.927 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)n(C)n1 ZINC001208441704 1223546939 /nfs/dbraw/zinc/54/69/39/1223546939.db2.gz NBHMTVZVBUMERO-UKRRQHHQSA-N 2 2 364.494 0.445 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)n(C)n1 ZINC001208441704 1223546942 /nfs/dbraw/zinc/54/69/42/1223546942.db2.gz NBHMTVZVBUMERO-UKRRQHHQSA-N 2 2 364.494 0.445 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208571929 1223558419 /nfs/dbraw/zinc/55/84/19/1223558419.db2.gz UHOPRTXYCIARLJ-KFWWJZLASA-N 2 2 369.510 0.389 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208571929 1223558422 /nfs/dbraw/zinc/55/84/22/1223558422.db2.gz UHOPRTXYCIARLJ-KFWWJZLASA-N 2 2 369.510 0.389 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208591190 1223561410 /nfs/dbraw/zinc/56/14/10/1223561410.db2.gz RJHGZSOVZWCNDK-ZMSDIMECSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001208591190 1223561413 /nfs/dbraw/zinc/56/14/13/1223561413.db2.gz RJHGZSOVZWCNDK-ZMSDIMECSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591190 1223561416 /nfs/dbraw/zinc/56/14/16/1223561416.db2.gz RJHGZSOVZWCNDK-ZMSDIMECSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591190 1223561418 /nfs/dbraw/zinc/56/14/18/1223561418.db2.gz RJHGZSOVZWCNDK-ZMSDIMECSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706992 1223571664 /nfs/dbraw/zinc/57/16/64/1223571664.db2.gz GBGUJAAFMLEXMV-BRWVUGGUSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706992 1223571667 /nfs/dbraw/zinc/57/16/67/1223571667.db2.gz GBGUJAAFMLEXMV-BRWVUGGUSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738444 1223573723 /nfs/dbraw/zinc/57/37/23/1223573723.db2.gz DPPDCVGARJXQBV-HLLBOEOZSA-N 2 2 364.494 0.253 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738444 1223573725 /nfs/dbraw/zinc/57/37/25/1223573725.db2.gz DPPDCVGARJXQBV-HLLBOEOZSA-N 2 2 364.494 0.253 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276609635 1223593249 /nfs/dbraw/zinc/59/32/49/1223593249.db2.gz LATIVCDLXDXUMW-HXUWFJFHSA-N 3 2 365.566 0.500 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276609635 1223593254 /nfs/dbraw/zinc/59/32/54/1223593254.db2.gz LATIVCDLXDXUMW-HXUWFJFHSA-N 3 2 365.566 0.500 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](CCC[NH+](C)C)C3)C2=O)CC1 ZINC001276609635 1223593257 /nfs/dbraw/zinc/59/32/57/1223593257.db2.gz LATIVCDLXDXUMW-HXUWFJFHSA-N 3 2 365.566 0.500 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](CCC[NH+](C)C)C3)C2=O)CC1 ZINC001276609635 1223593263 /nfs/dbraw/zinc/59/32/63/1223593263.db2.gz LATIVCDLXDXUMW-HXUWFJFHSA-N 3 2 365.566 0.500 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351329 1223612744 /nfs/dbraw/zinc/61/27/44/1223612744.db2.gz QIRVTCKHQAHXGJ-CKEIUWERSA-N 2 2 365.478 0.178 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351329 1223612746 /nfs/dbraw/zinc/61/27/46/1223612746.db2.gz QIRVTCKHQAHXGJ-CKEIUWERSA-N 2 2 365.478 0.178 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351329 1223612749 /nfs/dbraw/zinc/61/27/49/1223612749.db2.gz QIRVTCKHQAHXGJ-CKEIUWERSA-N 2 2 365.478 0.178 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507090 1223626229 /nfs/dbraw/zinc/62/62/29/1223626229.db2.gz YFYGAMFEPIPTSA-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209507090 1223626234 /nfs/dbraw/zinc/62/62/34/1223626234.db2.gz YFYGAMFEPIPTSA-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698433 1223642311 /nfs/dbraw/zinc/64/23/11/1223642311.db2.gz BWHDZRPPKJTTOJ-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734048 1223646383 /nfs/dbraw/zinc/64/63/83/1223646383.db2.gz KUXKSOFANPRDDQ-IEBWSBKVSA-N 2 2 360.458 0.724 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734048 1223646389 /nfs/dbraw/zinc/64/63/89/1223646389.db2.gz KUXKSOFANPRDDQ-IEBWSBKVSA-N 2 2 360.458 0.724 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209770155 1223648714 /nfs/dbraw/zinc/64/87/14/1223648714.db2.gz ZLQYVCYRHAIJQT-RHSMWYFYSA-N 2 2 370.457 0.844 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209770155 1223648720 /nfs/dbraw/zinc/64/87/20/1223648720.db2.gz ZLQYVCYRHAIJQT-RHSMWYFYSA-N 2 2 370.457 0.844 20 0 FCADLP Cc1noc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209829604 1223652125 /nfs/dbraw/zinc/65/21/25/1223652125.db2.gz HSOCFOHVDDBLJD-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP Cc1noc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209829604 1223652130 /nfs/dbraw/zinc/65/21/30/1223652130.db2.gz HSOCFOHVDDBLJD-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP Nc1nc(CC(=O)c2ccccc2)nn1-c1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263956 1223679186 /nfs/dbraw/zinc/67/91/86/1223679186.db2.gz JZAYJVJVYMXLGZ-UHFFFAOYSA-N 2 2 363.425 0.910 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210284861 1223680978 /nfs/dbraw/zinc/68/09/78/1223680978.db2.gz UJRUOHFJNHJIEC-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210284861 1223680983 /nfs/dbraw/zinc/68/09/83/1223680983.db2.gz UJRUOHFJNHJIEC-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329860 1223682691 /nfs/dbraw/zinc/68/26/91/1223682691.db2.gz IMPLYQKSYOWXPW-NVXWUHKLSA-N 2 2 371.485 0.230 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329860 1223682700 /nfs/dbraw/zinc/68/27/00/1223682700.db2.gz IMPLYQKSYOWXPW-NVXWUHKLSA-N 2 2 371.485 0.230 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718619 1223704643 /nfs/dbraw/zinc/70/46/43/1223704643.db2.gz XJMYXPLDSPPBNV-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718619 1223704645 /nfs/dbraw/zinc/70/46/45/1223704645.db2.gz XJMYXPLDSPPBNV-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718555 1223704694 /nfs/dbraw/zinc/70/46/94/1223704694.db2.gz VGCUOCJHXQRHFY-KBAYOESNSA-N 2 2 366.506 0.823 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718555 1223704697 /nfs/dbraw/zinc/70/46/97/1223704697.db2.gz VGCUOCJHXQRHFY-KBAYOESNSA-N 2 2 366.506 0.823 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031572 1223719722 /nfs/dbraw/zinc/71/97/22/1223719722.db2.gz JGBYKZYJJURCLG-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031572 1223719726 /nfs/dbraw/zinc/71/97/26/1223719726.db2.gz JGBYKZYJJURCLG-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038233 1223720908 /nfs/dbraw/zinc/72/09/08/1223720908.db2.gz HIWPHUYJOCAGPT-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038233 1223720909 /nfs/dbraw/zinc/72/09/09/1223720909.db2.gz HIWPHUYJOCAGPT-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054533 1223722517 /nfs/dbraw/zinc/72/25/17/1223722517.db2.gz PXFODUBMJFASII-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054533 1223722520 /nfs/dbraw/zinc/72/25/20/1223722520.db2.gz PXFODUBMJFASII-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1)C1CC1 ZINC001211191892 1223729297 /nfs/dbraw/zinc/72/92/97/1223729297.db2.gz VHZUAMGSLBORLS-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1)C1CC1 ZINC001211191892 1223729299 /nfs/dbraw/zinc/72/92/99/1223729299.db2.gz VHZUAMGSLBORLS-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1)C1CC1 ZINC001211191892 1223729301 /nfs/dbraw/zinc/72/93/01/1223729301.db2.gz VHZUAMGSLBORLS-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1)C1CC1 ZINC001211191892 1223729304 /nfs/dbraw/zinc/72/93/04/1223729304.db2.gz VHZUAMGSLBORLS-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433631 1223741977 /nfs/dbraw/zinc/74/19/77/1223741977.db2.gz OADLAFJCWZKTQY-IXDOHACOSA-N 2 2 360.462 0.357 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433631 1223741983 /nfs/dbraw/zinc/74/19/83/1223741983.db2.gz OADLAFJCWZKTQY-IXDOHACOSA-N 2 2 360.462 0.357 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451947 1223743137 /nfs/dbraw/zinc/74/31/37/1223743137.db2.gz MCKRBVUZBFJJBC-SOLBZPMBSA-N 2 2 358.442 0.760 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451947 1223743144 /nfs/dbraw/zinc/74/31/44/1223743144.db2.gz MCKRBVUZBFJJBC-SOLBZPMBSA-N 2 2 358.442 0.760 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167943 1223761911 /nfs/dbraw/zinc/76/19/11/1223761911.db2.gz QTSIFTFPSYLQEW-RRFJBIMHSA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167943 1223761920 /nfs/dbraw/zinc/76/19/20/1223761920.db2.gz QTSIFTFPSYLQEW-RRFJBIMHSA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167942 1223762097 /nfs/dbraw/zinc/76/20/97/1223762097.db2.gz QTSIFTFPSYLQEW-RBSFLKMASA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167942 1223762098 /nfs/dbraw/zinc/76/20/98/1223762098.db2.gz QTSIFTFPSYLQEW-RBSFLKMASA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167928 1223762420 /nfs/dbraw/zinc/76/24/20/1223762420.db2.gz QBIFFFFWUKLUFB-ARFHVFGLSA-N 2 2 365.478 0.262 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167928 1223762423 /nfs/dbraw/zinc/76/24/23/1223762423.db2.gz QBIFFFFWUKLUFB-ARFHVFGLSA-N 2 2 365.478 0.262 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701051 1223789503 /nfs/dbraw/zinc/78/95/03/1223789503.db2.gz AYCOTMNQRIVHNZ-KBXCAEBGSA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701051 1223789506 /nfs/dbraw/zinc/78/95/06/1223789506.db2.gz AYCOTMNQRIVHNZ-KBXCAEBGSA-N 2 2 362.430 0.533 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442389 1223799593 /nfs/dbraw/zinc/79/95/93/1223799593.db2.gz OZDHSELQVFTHKB-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442389 1223799594 /nfs/dbraw/zinc/79/95/94/1223799594.db2.gz OZDHSELQVFTHKB-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442389 1223799596 /nfs/dbraw/zinc/79/95/96/1223799596.db2.gz OZDHSELQVFTHKB-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442389 1223799597 /nfs/dbraw/zinc/79/95/97/1223799597.db2.gz OZDHSELQVFTHKB-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001213499827 1223805821 /nfs/dbraw/zinc/80/58/21/1223805821.db2.gz CIDXTJBQNBKQJP-BZUAXINKSA-N 2 2 363.462 0.272 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001213499827 1223805822 /nfs/dbraw/zinc/80/58/22/1223805822.db2.gz CIDXTJBQNBKQJP-BZUAXINKSA-N 2 2 363.462 0.272 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213588584 1223818575 /nfs/dbraw/zinc/81/85/75/1223818575.db2.gz LOHQEOYGCPTFLW-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213588584 1223818577 /nfs/dbraw/zinc/81/85/77/1223818577.db2.gz LOHQEOYGCPTFLW-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213588584 1223818578 /nfs/dbraw/zinc/81/85/78/1223818578.db2.gz LOHQEOYGCPTFLW-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213588584 1223818581 /nfs/dbraw/zinc/81/85/81/1223818581.db2.gz LOHQEOYGCPTFLW-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213671649 1223830548 /nfs/dbraw/zinc/83/05/48/1223830548.db2.gz PLFIDSPINCRMRV-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213671649 1223830551 /nfs/dbraw/zinc/83/05/51/1223830551.db2.gz PLFIDSPINCRMRV-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213671649 1223830553 /nfs/dbraw/zinc/83/05/53/1223830553.db2.gz PLFIDSPINCRMRV-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213671649 1223830555 /nfs/dbraw/zinc/83/05/55/1223830555.db2.gz PLFIDSPINCRMRV-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1noc(CN2C(=O)C[C@]3(CCC[N@H+](CCn4cc[nH+]c4)C3)C2=O)n1 ZINC001276704171 1223831450 /nfs/dbraw/zinc/83/14/50/1223831450.db2.gz AYLYUTGCAZUPQX-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1noc(CN2C(=O)C[C@]3(CCC[N@@H+](CCn4cc[nH+]c4)C3)C2=O)n1 ZINC001276704171 1223831452 /nfs/dbraw/zinc/83/14/52/1223831452.db2.gz AYLYUTGCAZUPQX-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213859930 1223862157 /nfs/dbraw/zinc/86/21/57/1223862157.db2.gz OFEVXJIKXQBRTC-HZPDHXFCSA-N 2 2 363.462 0.018 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213859930 1223862159 /nfs/dbraw/zinc/86/21/59/1223862159.db2.gz OFEVXJIKXQBRTC-HZPDHXFCSA-N 2 2 363.462 0.018 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859528 1223862223 /nfs/dbraw/zinc/86/22/23/1223862223.db2.gz FCNQODDFNZIFBM-IAGOWNOFSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213859528 1223862225 /nfs/dbraw/zinc/86/22/25/1223862225.db2.gz FCNQODDFNZIFBM-IAGOWNOFSA-N 2 2 368.522 0.543 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914536 1223871219 /nfs/dbraw/zinc/87/12/19/1223871219.db2.gz KLWLGIFPMGCLLG-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914536 1223871222 /nfs/dbraw/zinc/87/12/22/1223871222.db2.gz KLWLGIFPMGCLLG-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531359 1223919384 /nfs/dbraw/zinc/91/93/84/1223919384.db2.gz ZYJJVLQLNOUNKV-JHJVBQTASA-N 2 2 364.450 0.013 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001276713027 1223925673 /nfs/dbraw/zinc/92/56/73/1223925673.db2.gz VQCDEOOZIUONIE-GOSISDBHSA-N 2 2 366.437 0.594 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001276713027 1223925675 /nfs/dbraw/zinc/92/56/75/1223925675.db2.gz VQCDEOOZIUONIE-GOSISDBHSA-N 2 2 366.437 0.594 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164888 1248712718 /nfs/dbraw/zinc/71/27/18/1248712718.db2.gz GZZCSZGCHPQFMU-QCODTGAPSA-N 2 2 361.494 0.217 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164888 1248712723 /nfs/dbraw/zinc/71/27/23/1248712723.db2.gz GZZCSZGCHPQFMU-QCODTGAPSA-N 2 2 361.494 0.217 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164888 1248712727 /nfs/dbraw/zinc/71/27/27/1248712727.db2.gz GZZCSZGCHPQFMU-QCODTGAPSA-N 2 2 361.494 0.217 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164888 1248712733 /nfs/dbraw/zinc/71/27/33/1248712733.db2.gz GZZCSZGCHPQFMU-QCODTGAPSA-N 2 2 361.494 0.217 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214986493 1223961786 /nfs/dbraw/zinc/96/17/86/1223961786.db2.gz LEDRWGZUSVAUHD-HLLBOEOZSA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215008530 1223963746 /nfs/dbraw/zinc/96/37/46/1223963746.db2.gz RBZVIPAJTWZCSE-IIAWOOMASA-N 2 2 361.490 0.797 20 0 FCADLP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215023949 1223965000 /nfs/dbraw/zinc/96/50/00/1223965000.db2.gz CDLYVVDKANDPFP-DVOMOZLQSA-N 2 2 365.478 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215132476 1223976227 /nfs/dbraw/zinc/97/62/27/1223976227.db2.gz GIXGOQZATYSREO-UKRRQHHQSA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215200501 1223981643 /nfs/dbraw/zinc/98/16/43/1223981643.db2.gz YQWKTJRVXBROQH-OWCLPIDISA-N 2 2 360.462 0.047 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001215226825 1223983586 /nfs/dbraw/zinc/98/35/86/1223983586.db2.gz UFLKBEHIEUQHDS-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215226254 1223983922 /nfs/dbraw/zinc/98/39/22/1223983922.db2.gz HHNCFHVRTMVHSP-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001215225965 1223984013 /nfs/dbraw/zinc/98/40/13/1223984013.db2.gz ANUDWLLBZQCIDK-KURKYZTESA-N 2 2 371.522 0.587 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001215225965 1223984015 /nfs/dbraw/zinc/98/40/15/1223984015.db2.gz ANUDWLLBZQCIDK-KURKYZTESA-N 2 2 371.522 0.587 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978180424 1248717421 /nfs/dbraw/zinc/71/74/21/1248717421.db2.gz MXSXUAJRCPWOJF-QCODTGAPSA-N 2 2 361.494 0.388 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978180424 1248717429 /nfs/dbraw/zinc/71/74/29/1248717429.db2.gz MXSXUAJRCPWOJF-QCODTGAPSA-N 2 2 361.494 0.388 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978180424 1248717433 /nfs/dbraw/zinc/71/74/33/1248717433.db2.gz MXSXUAJRCPWOJF-QCODTGAPSA-N 2 2 361.494 0.388 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978180424 1248717439 /nfs/dbraw/zinc/71/74/39/1248717439.db2.gz MXSXUAJRCPWOJF-QCODTGAPSA-N 2 2 361.494 0.388 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001215571529 1224007187 /nfs/dbraw/zinc/00/71/87/1224007187.db2.gz PULIPRCCXWFCKK-SJLPKXTDSA-N 2 2 370.501 0.926 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001215571529 1224007191 /nfs/dbraw/zinc/00/71/91/1224007191.db2.gz PULIPRCCXWFCKK-SJLPKXTDSA-N 2 2 370.501 0.926 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001215920940 1224024461 /nfs/dbraw/zinc/02/44/61/1224024461.db2.gz WWTMUMMHWWKMLF-HYVNUMGLSA-N 2 2 360.458 0.629 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001215934321 1224025447 /nfs/dbraw/zinc/02/54/47/1224025447.db2.gz NYQYQJLGEUHVBT-UMVBOHGHSA-N 2 2 360.466 0.693 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)no1 ZINC001216566382 1224055948 /nfs/dbraw/zinc/05/59/48/1224055948.db2.gz ZXJPOQGZUMPCGB-QMTHXVAHSA-N 2 2 360.418 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216981153 1224083169 /nfs/dbraw/zinc/08/31/69/1224083169.db2.gz WFQSPKPFQXFPAP-BRWVUGGUSA-N 2 2 360.462 0.357 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001217000250 1224084026 /nfs/dbraw/zinc/08/40/26/1224084026.db2.gz GVZXDPZRQJROHM-NVXWUHKLSA-N 2 2 355.442 0.636 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719287 1226171510 /nfs/dbraw/zinc/17/15/10/1226171510.db2.gz LXOMYFPUXPXDFT-CRAIPNDOSA-N 2 2 364.446 0.122 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719287 1226171511 /nfs/dbraw/zinc/17/15/11/1226171511.db2.gz LXOMYFPUXPXDFT-CRAIPNDOSA-N 2 2 364.446 0.122 20 0 FCADLP C[C@@H](c1nncn1C)[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985498019 1248945221 /nfs/dbraw/zinc/94/52/21/1248945221.db2.gz ZHBVVNBLCCJTDV-IJEWVQPXSA-N 2 2 364.494 0.518 20 0 FCADLP C[C@@H](c1nncn1C)[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985498019 1248945231 /nfs/dbraw/zinc/94/52/31/1248945231.db2.gz ZHBVVNBLCCJTDV-IJEWVQPXSA-N 2 2 364.494 0.518 20 0 FCADLP C[C@@H](c1nncn1C)[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985498019 1248945238 /nfs/dbraw/zinc/94/52/38/1248945238.db2.gz ZHBVVNBLCCJTDV-IJEWVQPXSA-N 2 2 364.494 0.518 20 0 FCADLP C[C@@H](c1nncn1C)[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985498019 1248945253 /nfs/dbraw/zinc/94/52/53/1248945253.db2.gz ZHBVVNBLCCJTDV-IJEWVQPXSA-N 2 2 364.494 0.518 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993492585 1249587466 /nfs/dbraw/zinc/58/74/66/1249587466.db2.gz PNCXDNZEQPHGJP-KBXCAEBGSA-N 2 2 357.458 0.355 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993571919 1249715094 /nfs/dbraw/zinc/71/50/94/1249715094.db2.gz KUQPMZKWLSZJTQ-HUUCEWRRSA-N 2 2 356.430 0.446 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000993575970 1249721441 /nfs/dbraw/zinc/72/14/41/1249721441.db2.gz CEASJZFTZCITGG-HUUCEWRRSA-N 2 2 359.430 0.819 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993587782 1249744552 /nfs/dbraw/zinc/74/45/52/1249744552.db2.gz UBHHGERWLRNOSB-UPJWGTAASA-N 2 2 369.416 0.580 20 0 FCADLP 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/nfs/dbraw/zinc/67/85/64/1254678564.db2.gz HVZNHYCKAGSKEQ-CGTJXYLNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2O)C1 ZINC001077553246 1254678578 /nfs/dbraw/zinc/67/85/78/1254678578.db2.gz HVZNHYCKAGSKEQ-CGTJXYLNSA-N 2 2 361.490 0.568 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676569 1254855775 /nfs/dbraw/zinc/85/57/75/1254855775.db2.gz ADVSSHCKPADTTI-NIKGAXFTSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676569 1254855790 /nfs/dbraw/zinc/85/57/90/1254855790.db2.gz ADVSSHCKPADTTI-NIKGAXFTSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676569 1254855809 /nfs/dbraw/zinc/85/58/09/1254855809.db2.gz ADVSSHCKPADTTI-NIKGAXFTSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676569 1254855818 /nfs/dbraw/zinc/85/58/18/1254855818.db2.gz ADVSSHCKPADTTI-NIKGAXFTSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679309 1254863897 /nfs/dbraw/zinc/86/38/97/1254863897.db2.gz NVZBWIPPDLPHKS-GDIGMMSISA-N 2 2 359.470 0.720 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679309 1254863908 /nfs/dbraw/zinc/86/39/08/1254863908.db2.gz NVZBWIPPDLPHKS-GDIGMMSISA-N 2 2 359.470 0.720 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679309 1254863927 /nfs/dbraw/zinc/86/39/27/1254863927.db2.gz NVZBWIPPDLPHKS-GDIGMMSISA-N 2 2 359.470 0.720 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679309 1254863946 /nfs/dbraw/zinc/86/39/46/1254863946.db2.gz NVZBWIPPDLPHKS-GDIGMMSISA-N 2 2 359.470 0.720 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680552 1254865851 /nfs/dbraw/zinc/86/58/51/1254865851.db2.gz MVPLYTKPWYFQME-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680552 1254865863 /nfs/dbraw/zinc/86/58/63/1254865863.db2.gz MVPLYTKPWYFQME-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680552 1254865872 /nfs/dbraw/zinc/86/58/72/1254865872.db2.gz MVPLYTKPWYFQME-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680552 1254865881 /nfs/dbraw/zinc/86/58/81/1254865881.db2.gz MVPLYTKPWYFQME-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975034 1255138660 /nfs/dbraw/zinc/13/86/60/1255138660.db2.gz CXESPKVMZYSQBA-QZTJIDSGSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975034 1255138668 /nfs/dbraw/zinc/13/86/68/1255138668.db2.gz CXESPKVMZYSQBA-QZTJIDSGSA-N 2 2 362.474 0.766 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011832 1255167465 /nfs/dbraw/zinc/16/74/65/1255167465.db2.gz JXIBRQOZPLHKGO-IXDOHACOSA-N 2 2 363.433 0.116 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011832 1255167470 /nfs/dbraw/zinc/16/74/70/1255167470.db2.gz JXIBRQOZPLHKGO-IXDOHACOSA-N 2 2 363.433 0.116 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001078017883 1255172759 /nfs/dbraw/zinc/17/27/59/1255172759.db2.gz BOINKLKXZWMMPX-BHIYHBOVSA-N 2 2 370.453 0.656 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001078017883 1255172766 /nfs/dbraw/zinc/17/27/66/1255172766.db2.gz BOINKLKXZWMMPX-BHIYHBOVSA-N 2 2 370.453 0.656 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017968 1255173503 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/nfs/dbraw/zinc/32/47/49/1255324749.db2.gz NBYHYTJPUUOKBZ-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)c1 ZINC001078209868 1255324759 /nfs/dbraw/zinc/32/47/59/1255324759.db2.gz NBYHYTJPUUOKBZ-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)c1 ZINC001078209868 1255324769 /nfs/dbraw/zinc/32/47/69/1255324769.db2.gz NBYHYTJPUUOKBZ-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231422 1255480110 /nfs/dbraw/zinc/48/01/10/1255480110.db2.gz KFPMEGCKPZQXRT-BBWFWOEESA-N 2 2 369.481 0.616 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231422 1255480113 /nfs/dbraw/zinc/48/01/13/1255480113.db2.gz KFPMEGCKPZQXRT-BBWFWOEESA-N 2 2 369.481 0.616 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079261671 1255492475 /nfs/dbraw/zinc/49/24/75/1255492475.db2.gz BBVCVVXWUSGRMW-XLMAVXFVSA-N 2 2 374.485 0.455 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001079313919 1255505562 /nfs/dbraw/zinc/50/55/62/1255505562.db2.gz YJKMJWZRSREFMX-BHYGNILZSA-N 2 2 371.416 0.564 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526944 1255535571 /nfs/dbraw/zinc/53/55/71/1255535571.db2.gz XRPMDDDTCIHFAK-ZMYBRWDISA-N 2 2 359.470 0.984 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526944 1255535575 /nfs/dbraw/zinc/53/55/75/1255535575.db2.gz XRPMDDDTCIHFAK-ZMYBRWDISA-N 2 2 359.470 0.984 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526944 1255535581 /nfs/dbraw/zinc/53/55/81/1255535581.db2.gz XRPMDDDTCIHFAK-ZMYBRWDISA-N 2 2 359.470 0.984 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526944 1255535585 /nfs/dbraw/zinc/53/55/85/1255535585.db2.gz XRPMDDDTCIHFAK-ZMYBRWDISA-N 2 2 359.470 0.984 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2C)c[nH+]1 ZINC001079947640 1255675771 /nfs/dbraw/zinc/67/57/71/1255675771.db2.gz IIHGHJMXJKCKQS-UKRRQHHQSA-N 2 2 362.478 0.388 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2C)c[nH+]1 ZINC001079947640 1255675778 /nfs/dbraw/zinc/67/57/78/1255675778.db2.gz IIHGHJMXJKCKQS-UKRRQHHQSA-N 2 2 362.478 0.388 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951483 1255679361 /nfs/dbraw/zinc/67/93/61/1255679361.db2.gz PTJJSECJILNOPP-GKLJAUDBSA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951483 1255679372 /nfs/dbraw/zinc/67/93/72/1255679372.db2.gz PTJJSECJILNOPP-GKLJAUDBSA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951483 1255679381 /nfs/dbraw/zinc/67/93/81/1255679381.db2.gz PTJJSECJILNOPP-GKLJAUDBSA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951483 1255679387 /nfs/dbraw/zinc/67/93/87/1255679387.db2.gz PTJJSECJILNOPP-GKLJAUDBSA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080143715 1255759332 /nfs/dbraw/zinc/75/93/32/1255759332.db2.gz XSWPXCDUHWCMHB-GDBMZVCRSA-N 2 2 359.474 0.431 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080143715 1255759338 /nfs/dbraw/zinc/75/93/38/1255759338.db2.gz XSWPXCDUHWCMHB-GDBMZVCRSA-N 2 2 359.474 0.431 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144627 1255759970 /nfs/dbraw/zinc/75/99/70/1255759970.db2.gz JSBWHMSSDDWYNF-FRFSOERESA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144627 1255759975 /nfs/dbraw/zinc/75/99/75/1255759975.db2.gz JSBWHMSSDDWYNF-FRFSOERESA-N 2 2 359.474 0.477 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)cn1 ZINC001080324867 1255843698 /nfs/dbraw/zinc/84/36/98/1255843698.db2.gz HFWOPOMKIBZAFX-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)cn1 ZINC001080324867 1255843711 /nfs/dbraw/zinc/84/37/11/1255843711.db2.gz HFWOPOMKIBZAFX-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324867 1255843720 /nfs/dbraw/zinc/84/37/20/1255843720.db2.gz HFWOPOMKIBZAFX-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324867 1255843737 /nfs/dbraw/zinc/84/37/37/1255843737.db2.gz HFWOPOMKIBZAFX-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080533733 1255923071 /nfs/dbraw/zinc/92/30/71/1255923071.db2.gz QLPXCMMOQOUXBM-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080533733 1255923073 /nfs/dbraw/zinc/92/30/73/1255923073.db2.gz QLPXCMMOQOUXBM-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080541511 1255924550 /nfs/dbraw/zinc/92/45/50/1255924550.db2.gz XWEBKQZDKOVHLY-MGPQQGTHSA-N 2 2 361.446 0.248 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080541511 1255924560 /nfs/dbraw/zinc/92/45/60/1255924560.db2.gz XWEBKQZDKOVHLY-MGPQQGTHSA-N 2 2 361.446 0.248 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682129 1255985636 /nfs/dbraw/zinc/98/56/36/1255985636.db2.gz YQBKZFQOBARMSW-CXAGYDPISA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682129 1255985642 /nfs/dbraw/zinc/98/56/42/1255985642.db2.gz YQBKZFQOBARMSW-CXAGYDPISA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754412 1256020250 /nfs/dbraw/zinc/02/02/50/1256020250.db2.gz LBMKVJBFXOHNEE-RDTXWAMCSA-N 2 2 360.506 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754412 1256020254 /nfs/dbraw/zinc/02/02/54/1256020254.db2.gz LBMKVJBFXOHNEE-RDTXWAMCSA-N 2 2 360.506 0.874 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979632 1256123836 /nfs/dbraw/zinc/12/38/36/1256123836.db2.gz VWLLKEXEQPTEQM-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979632 1256123845 /nfs/dbraw/zinc/12/38/45/1256123845.db2.gz VWLLKEXEQPTEQM-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979632 1256123849 /nfs/dbraw/zinc/12/38/49/1256123849.db2.gz VWLLKEXEQPTEQM-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979632 1256123853 /nfs/dbraw/zinc/12/38/53/1256123853.db2.gz VWLLKEXEQPTEQM-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081177816 1256200352 /nfs/dbraw/zinc/20/03/52/1256200352.db2.gz DATLESSAFOPANH-HLLBOEOZSA-N 2 2 367.453 0.899 20 0 FCADLP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2c2ccccc2)C1=O ZINC001081189402 1256202160 /nfs/dbraw/zinc/20/21/60/1256202160.db2.gz SXIMAVUMKCYCMB-OKZBNKHCSA-N 2 2 367.453 0.767 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1)C(N)=O ZINC001081213647 1256208431 /nfs/dbraw/zinc/20/84/31/1256208431.db2.gz IQISNYQMTIGUQX-RRQGHBQHSA-N 2 2 355.442 0.421 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081434889 1256256316 /nfs/dbraw/zinc/25/63/16/1256256316.db2.gz DPJOJZFLNTVKTP-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081434889 1256256321 /nfs/dbraw/zinc/25/63/21/1256256321.db2.gz DPJOJZFLNTVKTP-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081434889 1256256330 /nfs/dbraw/zinc/25/63/30/1256256330.db2.gz DPJOJZFLNTVKTP-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081434889 1256256337 /nfs/dbraw/zinc/25/63/37/1256256337.db2.gz DPJOJZFLNTVKTP-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932693 1256458966 /nfs/dbraw/zinc/45/89/66/1256458966.db2.gz SFYOGRPRMBOURN-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932693 1256458970 /nfs/dbraw/zinc/45/89/70/1256458970.db2.gz SFYOGRPRMBOURN-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977835 1256479860 /nfs/dbraw/zinc/47/98/60/1256479860.db2.gz YTBHLVWGKNCORX-ZJPYXAASSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977835 1256479863 /nfs/dbraw/zinc/47/98/63/1256479863.db2.gz YTBHLVWGKNCORX-ZJPYXAASSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149958 1256564266 /nfs/dbraw/zinc/56/42/66/1256564266.db2.gz XYMKVHNMICDYIH-YFHUEUNASA-N 2 2 372.473 0.315 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149958 1256564269 /nfs/dbraw/zinc/56/42/69/1256564269.db2.gz XYMKVHNMICDYIH-YFHUEUNASA-N 2 2 372.473 0.315 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082191882 1256582958 /nfs/dbraw/zinc/58/29/58/1256582958.db2.gz KFYUKDDBJWSLHU-HZPDHXFCSA-N 2 2 360.462 0.719 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082191882 1256582961 /nfs/dbraw/zinc/58/29/61/1256582961.db2.gz KFYUKDDBJWSLHU-HZPDHXFCSA-N 2 2 360.462 0.719 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201254 1256587519 /nfs/dbraw/zinc/58/75/19/1256587519.db2.gz RWDZHHDKIZFQHK-QZTJIDSGSA-N 2 2 361.490 0.832 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201254 1256587524 /nfs/dbraw/zinc/58/75/24/1256587524.db2.gz RWDZHHDKIZFQHK-QZTJIDSGSA-N 2 2 361.490 0.832 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290304 1256636195 /nfs/dbraw/zinc/63/61/95/1256636195.db2.gz RZJVBZUSQAOTBJ-IXDOHACOSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290304 1256636201 /nfs/dbraw/zinc/63/62/01/1256636201.db2.gz RZJVBZUSQAOTBJ-IXDOHACOSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371612 1256720875 /nfs/dbraw/zinc/72/08/75/1256720875.db2.gz ROMOIHJKHZCJPS-IAGOWNOFSA-N 2 2 360.462 0.520 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371612 1256720882 /nfs/dbraw/zinc/72/08/82/1256720882.db2.gz ROMOIHJKHZCJPS-IAGOWNOFSA-N 2 2 360.462 0.520 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001082383579 1256735112 /nfs/dbraw/zinc/73/51/12/1256735112.db2.gz DXUAXOQZYOIIND-IAGOWNOFSA-N 2 2 362.474 0.265 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001082383579 1256735116 /nfs/dbraw/zinc/73/51/16/1256735116.db2.gz DXUAXOQZYOIIND-IAGOWNOFSA-N 2 2 362.474 0.265 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001082458162 1256770569 /nfs/dbraw/zinc/77/05/69/1256770569.db2.gz AJTMFXMRJVBDDZ-KFWWJZLASA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001082458162 1256770574 /nfs/dbraw/zinc/77/05/74/1256770574.db2.gz AJTMFXMRJVBDDZ-KFWWJZLASA-N 2 2 364.494 0.300 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+][C@@H]4CCN(C)C4=O)C3)ccn12 ZINC001082511548 1256797383 /nfs/dbraw/zinc/79/73/83/1256797383.db2.gz ANLJGKUINNUSMF-DAXOMENPSA-N 2 2 355.442 0.924 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001082522680 1256805429 /nfs/dbraw/zinc/80/54/29/1256805429.db2.gz WYLPQVYKHHRHHO-LXTVHRRPSA-N 2 2 364.494 0.802 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001082522680 1256805441 /nfs/dbraw/zinc/80/54/41/1256805441.db2.gz WYLPQVYKHHRHHO-LXTVHRRPSA-N 2 2 364.494 0.802 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082558276 1256854347 /nfs/dbraw/zinc/85/43/47/1256854347.db2.gz IKOSBOOMMKRKRI-OIISXLGYSA-N 2 2 359.478 0.184 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC001082590211 1256904460 /nfs/dbraw/zinc/90/44/60/1256904460.db2.gz JWSJBDCLELMEKD-QHSBEEBCSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC001082590211 1256904463 /nfs/dbraw/zinc/90/44/63/1256904463.db2.gz JWSJBDCLELMEKD-QHSBEEBCSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082601026 1256912278 /nfs/dbraw/zinc/91/22/78/1256912278.db2.gz JKSFZUZGOHDEIC-QGPMSJSTSA-N 2 2 356.474 0.858 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)C2 ZINC001082605095 1256915652 /nfs/dbraw/zinc/91/56/52/1256915652.db2.gz STJGQDPBLFBNDI-SUYBPPKGSA-N 2 2 359.474 0.492 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)CC2 ZINC001082605095 1256915657 /nfs/dbraw/zinc/91/56/57/1256915657.db2.gz STJGQDPBLFBNDI-SUYBPPKGSA-N 2 2 359.474 0.492 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082640674 1256945997 /nfs/dbraw/zinc/94/59/97/1256945997.db2.gz NYZCSPUUQHMBML-ZIAGYGMSSA-N 2 2 356.430 0.410 20 0 FCADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703446 1256994198 /nfs/dbraw/zinc/99/41/98/1256994198.db2.gz UPKAEYRAYSCOJK-KBAYOESNSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703446 1256994204 /nfs/dbraw/zinc/99/42/04/1256994204.db2.gz UPKAEYRAYSCOJK-KBAYOESNSA-N 2 2 363.506 0.949 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082719817 1257010531 /nfs/dbraw/zinc/01/05/31/1257010531.db2.gz OJCFEDDOOXTBAF-UKRRQHHQSA-N 2 2 363.510 0.706 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001082741070 1257021703 /nfs/dbraw/zinc/02/17/03/1257021703.db2.gz OPEUCPHALCRBEO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001082741070 1257021712 /nfs/dbraw/zinc/02/17/12/1257021712.db2.gz OPEUCPHALCRBEO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3nncn3C)C1)C2 ZINC001082743432 1257022320 /nfs/dbraw/zinc/02/23/20/1257022320.db2.gz ZSTAKASMUJBKDW-IVMMDQJWSA-N 2 2 357.462 0.519 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)n1cc[nH+]c1 ZINC001082771484 1257041915 /nfs/dbraw/zinc/04/19/15/1257041915.db2.gz CCPJKGICVXBLAL-QLFBSQMISA-N 2 2 361.446 0.420 20 0 FCADLP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082784253 1257047957 /nfs/dbraw/zinc/04/79/57/1257047957.db2.gz JXYMSPZIZGCLQS-UKRRQHHQSA-N 2 2 364.494 0.804 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082807332 1257065577 /nfs/dbraw/zinc/06/55/77/1257065577.db2.gz BADNEMTZNCVBMY-RBSFLKMASA-N 2 2 364.494 0.587 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC001082807638 1257067166 /nfs/dbraw/zinc/06/71/66/1257067166.db2.gz UTOOACFNJMJMFC-CRAIPNDOSA-N 2 2 361.490 0.488 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]2C)[nH]1 ZINC001082826865 1257085095 /nfs/dbraw/zinc/08/50/95/1257085095.db2.gz OFHHGAMMXGEFRB-MLGOLLRUSA-N 2 2 366.429 0.944 20 0 FCADLP Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082828746 1257085761 /nfs/dbraw/zinc/08/57/61/1257085761.db2.gz DJLYTPNMNITSOU-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(N)=O ZINC001082838636 1257093825 /nfs/dbraw/zinc/09/38/25/1257093825.db2.gz GGZVCDASWWJOHJ-IVMMDQJWSA-N 2 2 356.430 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082856009 1257106460 /nfs/dbraw/zinc/10/64/60/1257106460.db2.gz JAVIWJRDHPTLSV-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082861287 1257112161 /nfs/dbraw/zinc/11/21/61/1257112161.db2.gz VACGXVQJAIHENH-UKRRQHHQSA-N 2 2 357.462 0.527 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082860909 1257112713 /nfs/dbraw/zinc/11/27/13/1257112713.db2.gz WPKDMWPPUKJOBL-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082892537 1257128825 /nfs/dbraw/zinc/12/88/25/1257128825.db2.gz GAJCHIVTEBQPFK-HLLBOEOZSA-N 2 2 361.490 0.706 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933964 1257154078 /nfs/dbraw/zinc/15/40/78/1257154078.db2.gz QVMZTUMLISUQFL-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933964 1257154085 /nfs/dbraw/zinc/15/40/85/1257154085.db2.gz QVMZTUMLISUQFL-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083080110 1257277622 /nfs/dbraw/zinc/27/76/22/1257277622.db2.gz GNXPEIJUZDARBG-IXDOHACOSA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083080110 1257277626 /nfs/dbraw/zinc/27/76/26/1257277626.db2.gz GNXPEIJUZDARBG-IXDOHACOSA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083080110 1257277628 /nfs/dbraw/zinc/27/76/28/1257277628.db2.gz GNXPEIJUZDARBG-IXDOHACOSA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083080110 1257277632 /nfs/dbraw/zinc/27/76/32/1257277632.db2.gz GNXPEIJUZDARBG-IXDOHACOSA-N 2 2 362.478 0.063 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)ncn1 ZINC001083083990 1257284085 /nfs/dbraw/zinc/28/40/85/1257284085.db2.gz UZBXCISOZIBYBY-CEXWTWQISA-N 2 2 371.485 0.538 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)ncn1 ZINC001083083990 1257284090 /nfs/dbraw/zinc/28/40/90/1257284090.db2.gz UZBXCISOZIBYBY-CEXWTWQISA-N 2 2 371.485 0.538 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)O1 ZINC001083119460 1257352717 /nfs/dbraw/zinc/35/27/17/1257352717.db2.gz UVMHUZJDTMUWMM-BZZMCLGOSA-N 2 2 367.490 0.186 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)O1 ZINC001083119460 1257352728 /nfs/dbraw/zinc/35/27/28/1257352728.db2.gz UVMHUZJDTMUWMM-BZZMCLGOSA-N 2 2 367.490 0.186 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)O1 ZINC001083119460 1257352738 /nfs/dbraw/zinc/35/27/38/1257352738.db2.gz UVMHUZJDTMUWMM-BZZMCLGOSA-N 2 2 367.490 0.186 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)O1 ZINC001083119460 1257352746 /nfs/dbraw/zinc/35/27/46/1257352746.db2.gz UVMHUZJDTMUWMM-BZZMCLGOSA-N 2 2 367.490 0.186 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001521342333 1266113922 /nfs/dbraw/zinc/11/39/22/1266113922.db2.gz FYYPASUKPTWLAJ-WBVHZDCISA-N 2 2 351.495 0.987 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CN(C)CC[N@H+]1C ZINC001521342333 1266113925 /nfs/dbraw/zinc/11/39/25/1266113925.db2.gz FYYPASUKPTWLAJ-WBVHZDCISA-N 2 2 351.495 0.987 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3CN(Cc4c[nH+]cn4C)C[C@@H]32)CC[N@@H+]1C ZINC001083176521 1257436367 /nfs/dbraw/zinc/43/63/67/1257436367.db2.gz XZZOTHYHVBIUBZ-UOVPBQLFSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3CN(Cc4c[nH+]cn4C)C[C@@H]32)CC[N@H+]1C ZINC001083176521 1257436372 /nfs/dbraw/zinc/43/63/72/1257436372.db2.gz XZZOTHYHVBIUBZ-UOVPBQLFSA-N 2 2 361.490 0.562 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001083646287 1257465284 /nfs/dbraw/zinc/46/52/84/1257465284.db2.gz VPTNKKYPTZIPJR-IKGGRYGDSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001083646287 1257465287 /nfs/dbraw/zinc/46/52/87/1257465287.db2.gz VPTNKKYPTZIPJR-IKGGRYGDSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750480 1257489522 /nfs/dbraw/zinc/48/95/22/1257489522.db2.gz YTMNNCNSVLGBDT-MSOLQXFVSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750480 1257489526 /nfs/dbraw/zinc/48/95/26/1257489526.db2.gz YTMNNCNSVLGBDT-MSOLQXFVSA-N 2 2 363.506 0.776 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781787 1257525289 /nfs/dbraw/zinc/52/52/89/1257525289.db2.gz VXJKFIZXZKHZID-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781787 1257525292 /nfs/dbraw/zinc/52/52/92/1257525292.db2.gz VXJKFIZXZKHZID-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781787 1257525296 /nfs/dbraw/zinc/52/52/96/1257525296.db2.gz VXJKFIZXZKHZID-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781787 1257525298 /nfs/dbraw/zinc/52/52/98/1257525298.db2.gz VXJKFIZXZKHZID-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2O)C1 ZINC001083782686 1257529495 /nfs/dbraw/zinc/52/94/95/1257529495.db2.gz GSCUUIGUJYEEQV-KURKYZTESA-N 2 2 361.486 0.613 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]2O)C1 ZINC001083782686 1257529498 /nfs/dbraw/zinc/52/94/98/1257529498.db2.gz GSCUUIGUJYEEQV-KURKYZTESA-N 2 2 361.486 0.613 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)C1 ZINC001083782686 1257529501 /nfs/dbraw/zinc/52/95/01/1257529501.db2.gz GSCUUIGUJYEEQV-KURKYZTESA-N 2 2 361.486 0.613 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)C1 ZINC001083782686 1257529505 /nfs/dbraw/zinc/52/95/05/1257529505.db2.gz GSCUUIGUJYEEQV-KURKYZTESA-N 2 2 361.486 0.613 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831253 1257583979 /nfs/dbraw/zinc/58/39/79/1257583979.db2.gz CZGQGKMVOLDSIC-BBWFWOEESA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831253 1257583981 /nfs/dbraw/zinc/58/39/81/1257583981.db2.gz CZGQGKMVOLDSIC-BBWFWOEESA-N 2 2 366.506 0.035 20 0 FCADLP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001521482237 1266126349 /nfs/dbraw/zinc/12/63/49/1266126349.db2.gz JCYXCRHBTRFZCH-AZUAARDMSA-N 2 2 361.486 0.551 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)o1 ZINC001083937049 1257722631 /nfs/dbraw/zinc/72/26/31/1257722631.db2.gz KCLKPJWRILTACQ-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)o1 ZINC001083937049 1257722636 /nfs/dbraw/zinc/72/26/36/1257722636.db2.gz KCLKPJWRILTACQ-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001083938390 1257724830 /nfs/dbraw/zinc/72/48/30/1257724830.db2.gz BXEIEYBQUCUBPX-KURKYZTESA-N 2 2 363.506 0.736 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001083938390 1257724833 /nfs/dbraw/zinc/72/48/33/1257724833.db2.gz BXEIEYBQUCUBPX-KURKYZTESA-N 2 2 363.506 0.736 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946346 1257731493 /nfs/dbraw/zinc/73/14/93/1257731493.db2.gz GZRTVLSBZCMQNY-JQHSSLGASA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946346 1257731501 /nfs/dbraw/zinc/73/15/01/1257731501.db2.gz GZRTVLSBZCMQNY-JQHSSLGASA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946375 1257731615 /nfs/dbraw/zinc/73/16/15/1257731615.db2.gz ITZWIOKFDPMBCS-XKQJLSEDSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946375 1257731620 /nfs/dbraw/zinc/73/16/20/1257731620.db2.gz ITZWIOKFDPMBCS-XKQJLSEDSA-N 2 2 357.414 0.079 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001083961662 1257753400 /nfs/dbraw/zinc/75/34/00/1257753400.db2.gz DCTCGKPCFVUVDG-VHDGCEQUSA-N 2 2 370.400 0.347 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O ZINC001083961662 1257753405 /nfs/dbraw/zinc/75/34/05/1257753405.db2.gz DCTCGKPCFVUVDG-VHDGCEQUSA-N 2 2 370.400 0.347 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083997872 1257784683 /nfs/dbraw/zinc/78/46/83/1257784683.db2.gz OCGHFMXFDFDKEF-MSOLQXFVSA-N 2 2 370.453 0.600 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083997872 1257784686 /nfs/dbraw/zinc/78/46/86/1257784686.db2.gz OCGHFMXFDFDKEF-MSOLQXFVSA-N 2 2 370.453 0.600 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001083998055 1257785311 /nfs/dbraw/zinc/78/53/11/1257785311.db2.gz SLCXQSFSOYAQFN-FGTMMUONSA-N 2 2 358.442 0.810 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001083998055 1257785315 /nfs/dbraw/zinc/78/53/15/1257785315.db2.gz SLCXQSFSOYAQFN-FGTMMUONSA-N 2 2 358.442 0.810 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001084057232 1257869240 /nfs/dbraw/zinc/86/92/40/1257869240.db2.gz BKPFFBJQJJDDGY-MOPGFXCFSA-N 2 2 369.469 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001084057232 1257869249 /nfs/dbraw/zinc/86/92/49/1257869249.db2.gz BKPFFBJQJJDDGY-MOPGFXCFSA-N 2 2 369.469 0.629 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001084060459 1257878906 /nfs/dbraw/zinc/87/89/06/1257878906.db2.gz ZDEQBHXOYUCUBZ-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001084060459 1257878916 /nfs/dbraw/zinc/87/89/16/1257878916.db2.gz ZDEQBHXOYUCUBZ-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078128 1257904669 /nfs/dbraw/zinc/90/46/69/1257904669.db2.gz NWBGAXHUONJFRX-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078128 1257904676 /nfs/dbraw/zinc/90/46/76/1257904676.db2.gz NWBGAXHUONJFRX-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078128 1257904678 /nfs/dbraw/zinc/90/46/78/1257904678.db2.gz NWBGAXHUONJFRX-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078128 1257904681 /nfs/dbraw/zinc/90/46/81/1257904681.db2.gz NWBGAXHUONJFRX-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21)C1CC1 ZINC001084406052 1258084545 /nfs/dbraw/zinc/08/45/45/1258084545.db2.gz DTCYSRZBVALFBC-SZVBFZGTSA-N 2 2 362.518 0.918 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21)C1CC1 ZINC001084406052 1258084553 /nfs/dbraw/zinc/08/45/53/1258084553.db2.gz DTCYSRZBVALFBC-SZVBFZGTSA-N 2 2 362.518 0.918 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084406455 1258086298 /nfs/dbraw/zinc/08/62/98/1258086298.db2.gz PLFXMLWZGJPMLX-OWCLPIDISA-N 2 2 355.446 0.585 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084406455 1258086311 /nfs/dbraw/zinc/08/63/11/1258086311.db2.gz PLFXMLWZGJPMLX-OWCLPIDISA-N 2 2 355.446 0.585 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084452827 1258119342 /nfs/dbraw/zinc/11/93/42/1258119342.db2.gz YZWCVHBWODLCTQ-CSMYWGQOSA-N 2 2 353.426 0.988 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084452827 1258119344 /nfs/dbraw/zinc/11/93/44/1258119344.db2.gz YZWCVHBWODLCTQ-CSMYWGQOSA-N 2 2 353.426 0.988 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084466161 1258121342 /nfs/dbraw/zinc/12/13/42/1258121342.db2.gz DVRRSFFWAZATFY-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084466161 1258121344 /nfs/dbraw/zinc/12/13/44/1258121344.db2.gz DVRRSFFWAZATFY-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511205 1258145984 /nfs/dbraw/zinc/14/59/84/1258145984.db2.gz MKHCUGKKSBVSCI-WOSRLPQWSA-N 2 2 354.414 0.287 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511205 1258145986 /nfs/dbraw/zinc/14/59/86/1258145986.db2.gz MKHCUGKKSBVSCI-WOSRLPQWSA-N 2 2 354.414 0.287 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511006 1258146005 /nfs/dbraw/zinc/14/60/05/1258146005.db2.gz DXCGWWXERZNCAS-XOKHGSTOSA-N 2 2 368.441 0.678 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511006 1258146008 /nfs/dbraw/zinc/14/60/08/1258146008.db2.gz DXCGWWXERZNCAS-XOKHGSTOSA-N 2 2 368.441 0.678 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084523591 1258149537 /nfs/dbraw/zinc/14/95/37/1258149537.db2.gz NTEJTKYXDWNWEZ-NVXWUHKLSA-N 2 2 357.462 0.844 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084523591 1258149540 /nfs/dbraw/zinc/14/95/40/1258149540.db2.gz NTEJTKYXDWNWEZ-NVXWUHKLSA-N 2 2 357.462 0.844 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001084539964 1258161372 /nfs/dbraw/zinc/16/13/72/1258161372.db2.gz NNOVRZFBBCFWFV-NVXWUHKLSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001084539964 1258161375 /nfs/dbraw/zinc/16/13/75/1258161375.db2.gz NNOVRZFBBCFWFV-NVXWUHKLSA-N 2 2 356.474 0.862 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084614406 1258201272 /nfs/dbraw/zinc/20/12/72/1258201272.db2.gz VCRGAOVACQAVQN-VNQPRFMTSA-N 2 2 360.458 0.766 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084614406 1258201276 /nfs/dbraw/zinc/20/12/76/1258201276.db2.gz VCRGAOVACQAVQN-VNQPRFMTSA-N 2 2 360.458 0.766 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662424 1258224725 /nfs/dbraw/zinc/22/47/25/1258224725.db2.gz JKVSOWQKWJNWRU-QGPMSJSTSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662424 1258224729 /nfs/dbraw/zinc/22/47/29/1258224729.db2.gz JKVSOWQKWJNWRU-QGPMSJSTSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662424 1258224732 /nfs/dbraw/zinc/22/47/32/1258224732.db2.gz JKVSOWQKWJNWRU-QGPMSJSTSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662424 1258224736 /nfs/dbraw/zinc/22/47/36/1258224736.db2.gz JKVSOWQKWJNWRU-QGPMSJSTSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]31)C2 ZINC001084663727 1258226922 /nfs/dbraw/zinc/22/69/22/1258226922.db2.gz OWYIRRKQEDCMDU-LZLYRXPVSA-N 2 2 369.473 0.578 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]31)C2 ZINC001084663727 1258226931 /nfs/dbraw/zinc/22/69/31/1258226931.db2.gz OWYIRRKQEDCMDU-LZLYRXPVSA-N 2 2 369.473 0.578 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084780126 1258321512 /nfs/dbraw/zinc/32/15/12/1258321512.db2.gz QZVWQYFPEYJRBV-RHSMWYFYSA-N 2 2 355.446 0.586 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084780126 1258321522 /nfs/dbraw/zinc/32/15/22/1258321522.db2.gz QZVWQYFPEYJRBV-RHSMWYFYSA-N 2 2 355.446 0.586 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084805472 1258347655 /nfs/dbraw/zinc/34/76/55/1258347655.db2.gz QATVHHPUTJSRKA-DJIMGWMZSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084805472 1258347664 /nfs/dbraw/zinc/34/76/64/1258347664.db2.gz QATVHHPUTJSRKA-DJIMGWMZSA-N 2 2 369.473 0.664 20 0 FCADLP COc1coc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001084831453 1258377950 /nfs/dbraw/zinc/37/79/50/1258377950.db2.gz LUQFCJZJYQPZLW-IIAWOOMASA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001084831453 1258377956 /nfs/dbraw/zinc/37/79/56/1258377956.db2.gz LUQFCJZJYQPZLW-IIAWOOMASA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084831453 1258377964 /nfs/dbraw/zinc/37/79/64/1258377964.db2.gz LUQFCJZJYQPZLW-IIAWOOMASA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001084831453 1258377970 /nfs/dbraw/zinc/37/79/70/1258377970.db2.gz LUQFCJZJYQPZLW-IIAWOOMASA-N 2 2 361.442 0.633 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853505 1258400867 /nfs/dbraw/zinc/40/08/67/1258400867.db2.gz VFJMDRHKBCWNTN-ZHALLVOQSA-N 2 2 362.518 0.872 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853505 1258400873 /nfs/dbraw/zinc/40/08/73/1258400873.db2.gz VFJMDRHKBCWNTN-ZHALLVOQSA-N 2 2 362.518 0.872 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910797 1258433894 /nfs/dbraw/zinc/43/38/94/1258433894.db2.gz CCAOWIKRYMKHHG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910797 1258433899 /nfs/dbraw/zinc/43/38/99/1258433899.db2.gz CCAOWIKRYMKHHG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910797 1258433900 /nfs/dbraw/zinc/43/39/00/1258433900.db2.gz CCAOWIKRYMKHHG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910797 1258433906 /nfs/dbraw/zinc/43/39/06/1258433906.db2.gz CCAOWIKRYMKHHG-FHLIZLRMSA-N 2 2 362.474 0.990 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]32)[nH]1 ZINC001084941584 1258454947 /nfs/dbraw/zinc/45/49/47/1258454947.db2.gz RDDLHWRQVMOKLZ-IKGGRYGDSA-N 2 2 358.490 0.878 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]32)[nH]1 ZINC001084941584 1258454949 /nfs/dbraw/zinc/45/49/49/1258454949.db2.gz RDDLHWRQVMOKLZ-IKGGRYGDSA-N 2 2 358.490 0.878 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958018 1258470084 /nfs/dbraw/zinc/47/00/84/1258470084.db2.gz IRWZBWGERHRMPG-OAGGEKHMSA-N 2 2 359.474 0.772 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958018 1258470087 /nfs/dbraw/zinc/47/00/87/1258470087.db2.gz IRWZBWGERHRMPG-OAGGEKHMSA-N 2 2 359.474 0.772 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)n4)[C@H]3C2)O1 ZINC001084970063 1258482917 /nfs/dbraw/zinc/48/29/17/1258482917.db2.gz MGROIGIDEULGCC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)n4)[C@H]3C2)O1 ZINC001084970063 1258482920 /nfs/dbraw/zinc/48/29/20/1258482920.db2.gz MGROIGIDEULGCC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccn(C)n4)[C@H]3C2)O1 ZINC001084970063 1258482923 /nfs/dbraw/zinc/48/29/23/1258482923.db2.gz MGROIGIDEULGCC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccn(C)n4)[C@H]3C2)O1 ZINC001084970063 1258482926 /nfs/dbraw/zinc/48/29/26/1258482926.db2.gz MGROIGIDEULGCC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001085018648 1258524741 /nfs/dbraw/zinc/52/47/41/1258524741.db2.gz IWUGUVWUGLEPNR-ZBFHGGJFSA-N 2 2 362.474 0.966 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001085018648 1258524743 /nfs/dbraw/zinc/52/47/43/1258524743.db2.gz IWUGUVWUGLEPNR-ZBFHGGJFSA-N 2 2 362.474 0.966 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031964 1258534729 /nfs/dbraw/zinc/53/47/29/1258534729.db2.gz GZZBJTMIZXVGCR-ZNMIVQPWSA-N 2 2 362.478 0.016 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031964 1258534733 /nfs/dbraw/zinc/53/47/33/1258534733.db2.gz GZZBJTMIZXVGCR-ZNMIVQPWSA-N 2 2 362.478 0.016 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031964 1258534738 /nfs/dbraw/zinc/53/47/38/1258534738.db2.gz GZZBJTMIZXVGCR-ZNMIVQPWSA-N 2 2 362.478 0.016 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031964 1258534742 /nfs/dbraw/zinc/53/47/42/1258534742.db2.gz GZZBJTMIZXVGCR-ZNMIVQPWSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001085074887 1258569430 /nfs/dbraw/zinc/56/94/30/1258569430.db2.gz HNQIRWHKPZQQNU-WBVHZDCISA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001085074887 1258569436 /nfs/dbraw/zinc/56/94/36/1258569436.db2.gz HNQIRWHKPZQQNU-WBVHZDCISA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085075512 1258569682 /nfs/dbraw/zinc/56/96/82/1258569682.db2.gz OWSHQAIFWLOTPY-VYDXJSESSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085075512 1258569688 /nfs/dbraw/zinc/56/96/88/1258569688.db2.gz OWSHQAIFWLOTPY-VYDXJSESSA-N 2 2 369.473 0.664 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)nn1 ZINC001085076279 1258571206 /nfs/dbraw/zinc/57/12/06/1258571206.db2.gz WGMJUMXNKSFMKP-WBVHZDCISA-N 2 2 358.490 0.817 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)nn1 ZINC001085076279 1258571211 /nfs/dbraw/zinc/57/12/11/1258571211.db2.gz WGMJUMXNKSFMKP-WBVHZDCISA-N 2 2 358.490 0.817 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001085159142 1258611113 /nfs/dbraw/zinc/61/11/13/1258611113.db2.gz JFYUBQQHKQSESD-OAGGEKHMSA-N 2 2 363.462 0.333 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001085159142 1258611117 /nfs/dbraw/zinc/61/11/17/1258611117.db2.gz JFYUBQQHKQSESD-OAGGEKHMSA-N 2 2 363.462 0.333 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085158901 1258612289 /nfs/dbraw/zinc/61/22/89/1258612289.db2.gz AOOBRMYARHBTAH-OAGGEKHMSA-N 2 2 364.494 0.707 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085158901 1258612297 /nfs/dbraw/zinc/61/22/97/1258612297.db2.gz AOOBRMYARHBTAH-OAGGEKHMSA-N 2 2 364.494 0.707 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085203114 1258628884 /nfs/dbraw/zinc/62/88/84/1258628884.db2.gz PXWLYRMXJAVTLI-KLHDSHLOSA-N 2 2 359.474 0.656 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088170691 1258689846 /nfs/dbraw/zinc/68/98/46/1258689846.db2.gz BPKWTDFIURIOGL-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088170691 1258689856 /nfs/dbraw/zinc/68/98/56/1258689856.db2.gz BPKWTDFIURIOGL-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)n1 ZINC001088183318 1258704348 /nfs/dbraw/zinc/70/43/48/1258704348.db2.gz AOYQDCDDZLBQMR-SJORKVTESA-N 2 2 371.489 0.949 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)n1 ZINC001088183318 1258704353 /nfs/dbraw/zinc/70/43/53/1258704353.db2.gz AOYQDCDDZLBQMR-SJORKVTESA-N 2 2 371.489 0.949 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183646 1258704440 /nfs/dbraw/zinc/70/44/40/1258704440.db2.gz PKPPBIYOASXUND-CABCVRRESA-N 2 2 357.462 0.853 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183646 1258704450 /nfs/dbraw/zinc/70/44/50/1258704450.db2.gz PKPPBIYOASXUND-CABCVRRESA-N 2 2 357.462 0.853 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088187401 1258707792 /nfs/dbraw/zinc/70/77/92/1258707792.db2.gz WABVYUULKBYUCH-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088187401 1258707794 /nfs/dbraw/zinc/70/77/94/1258707794.db2.gz WABVYUULKBYUCH-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088187400 1258707962 /nfs/dbraw/zinc/70/79/62/1258707962.db2.gz WABVYUULKBYUCH-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088187400 1258707967 /nfs/dbraw/zinc/70/79/67/1258707967.db2.gz WABVYUULKBYUCH-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187252 1258708921 /nfs/dbraw/zinc/70/89/21/1258708921.db2.gz NWSIOJKDKYPPAK-XHSDSOJGSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187252 1258708928 /nfs/dbraw/zinc/70/89/28/1258708928.db2.gz NWSIOJKDKYPPAK-XHSDSOJGSA-N 2 2 361.490 0.610 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001090353639 1258781551 /nfs/dbraw/zinc/78/15/51/1258781551.db2.gz BXXQLOSWGLDKEF-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](C)CC4)C[C@H]21 ZINC001090354111 1258781563 /nfs/dbraw/zinc/78/15/63/1258781563.db2.gz MNXBZGRWYMKMNZ-WMLDXEAASA-N 2 2 358.490 0.453 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](C)CC4)C[C@H]21 ZINC001090354111 1258781567 /nfs/dbraw/zinc/78/15/67/1258781567.db2.gz MNXBZGRWYMKMNZ-WMLDXEAASA-N 2 2 358.490 0.453 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725565 1258803025 /nfs/dbraw/zinc/80/30/25/1258803025.db2.gz KSZRHBCIUZRBKC-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725565 1258803030 /nfs/dbraw/zinc/80/30/30/1258803030.db2.gz KSZRHBCIUZRBKC-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725565 1258803035 /nfs/dbraw/zinc/80/30/35/1258803035.db2.gz KSZRHBCIUZRBKC-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725565 1258803040 /nfs/dbraw/zinc/80/30/40/1258803040.db2.gz KSZRHBCIUZRBKC-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092628008 1258807018 /nfs/dbraw/zinc/80/70/18/1258807018.db2.gz ZYVYBEBLXNDSFW-XJKCOSOUSA-N 2 2 362.478 0.220 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092628008 1258807023 /nfs/dbraw/zinc/80/70/23/1258807023.db2.gz ZYVYBEBLXNDSFW-XJKCOSOUSA-N 2 2 362.478 0.220 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092628008 1258807029 /nfs/dbraw/zinc/80/70/29/1258807029.db2.gz ZYVYBEBLXNDSFW-XJKCOSOUSA-N 2 2 362.478 0.220 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092628008 1258807036 /nfs/dbraw/zinc/80/70/36/1258807036.db2.gz ZYVYBEBLXNDSFW-XJKCOSOUSA-N 2 2 362.478 0.220 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734566 1258820788 /nfs/dbraw/zinc/82/07/88/1258820788.db2.gz AMXKGTKIJAFPIA-BZUAXINKSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734566 1258820799 /nfs/dbraw/zinc/82/07/99/1258820799.db2.gz AMXKGTKIJAFPIA-BZUAXINKSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734566 1258820805 /nfs/dbraw/zinc/82/08/05/1258820805.db2.gz AMXKGTKIJAFPIA-BZUAXINKSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734566 1258820815 /nfs/dbraw/zinc/82/08/15/1258820815.db2.gz AMXKGTKIJAFPIA-BZUAXINKSA-N 2 2 366.485 0.916 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725624 1258820929 /nfs/dbraw/zinc/82/09/29/1258820929.db2.gz SYULQIFGMUPBRA-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725624 1258820940 /nfs/dbraw/zinc/82/09/40/1258820940.db2.gz SYULQIFGMUPBRA-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725624 1258820949 /nfs/dbraw/zinc/82/09/49/1258820949.db2.gz SYULQIFGMUPBRA-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725624 1258820955 /nfs/dbraw/zinc/82/09/55/1258820955.db2.gz SYULQIFGMUPBRA-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092748482 1258828236 /nfs/dbraw/zinc/82/82/36/1258828236.db2.gz ZARWRIBYZFIRPF-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092748482 1258828246 /nfs/dbraw/zinc/82/82/46/1258828246.db2.gz ZARWRIBYZFIRPF-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829000 1258857924 /nfs/dbraw/zinc/85/79/24/1258857924.db2.gz YILVFWRVWLSKQI-TZMCWYRMSA-N 2 2 354.418 0.356 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829000 1258857933 /nfs/dbraw/zinc/85/79/33/1258857933.db2.gz YILVFWRVWLSKQI-TZMCWYRMSA-N 2 2 354.418 0.356 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828559 1258859033 /nfs/dbraw/zinc/85/90/33/1258859033.db2.gz MEECYHIPLZGQSZ-TZMCWYRMSA-N 2 2 369.429 0.254 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828559 1258859039 /nfs/dbraw/zinc/85/90/39/1258859039.db2.gz MEECYHIPLZGQSZ-TZMCWYRMSA-N 2 2 369.429 0.254 20 0 FCADLP CCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440488 1258918139 /nfs/dbraw/zinc/91/81/39/1258918139.db2.gz IOCDMOGUHKMIJL-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106655373 1258933841 /nfs/dbraw/zinc/93/38/41/1258933841.db2.gz MGRBZEHYCNUHER-NFAWXSAZSA-N 2 2 359.474 0.792 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106799237 1258965521 /nfs/dbraw/zinc/96/55/21/1258965521.db2.gz FDKCPODXLTVDCU-HZPDHXFCSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001106876857 1258984780 /nfs/dbraw/zinc/98/47/80/1258984780.db2.gz AHILMKKVFGVAAP-NUJGCVRESA-N 2 2 364.490 0.842 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C2CC2)[C@H](C)C1 ZINC001106922386 1258995999 /nfs/dbraw/zinc/99/59/99/1258995999.db2.gz AVYSMGHPMWUBRD-DVOMOZLQSA-N 2 2 361.490 0.859 20 0 FCADLP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C)C1CC1 ZINC001106922999 1258996874 /nfs/dbraw/zinc/99/68/74/1258996874.db2.gz XBTWWPZDUAIGBI-UKRRQHHQSA-N 2 2 361.490 0.956 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)C(=O)NC1CC1 ZINC001106937628 1259000461 /nfs/dbraw/zinc/00/04/61/1259000461.db2.gz APOOATOXZOFXEG-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NCc1ccccc1 ZINC001107077883 1259028229 /nfs/dbraw/zinc/02/82/29/1259028229.db2.gz RKYDRJWDCDRUFG-SJLPKXTDSA-N 2 2 369.469 0.884 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)N1CCCCC1 ZINC001107078212 1259029785 /nfs/dbraw/zinc/02/97/85/1259029785.db2.gz DHWDWHMXTIVAGN-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614172 1259133475 /nfs/dbraw/zinc/13/34/75/1259133475.db2.gz VTRWMRMQMQRKKV-CRAIPNDOSA-N 2 2 363.510 0.803 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614172 1259133480 /nfs/dbraw/zinc/13/34/80/1259133480.db2.gz VTRWMRMQMQRKKV-CRAIPNDOSA-N 2 2 363.510 0.803 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCC3CC3)CCO2)O1 ZINC001108023508 1259151535 /nfs/dbraw/zinc/15/15/35/1259151535.db2.gz CSLNCKVCYCVRDS-SUMDDJOVSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOCC3CC3)CCO2)O1 ZINC001108023508 1259151539 /nfs/dbraw/zinc/15/15/39/1259151539.db2.gz CSLNCKVCYCVRDS-SUMDDJOVSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCOCC3CC3)CCO2)O1 ZINC001108023508 1259151542 /nfs/dbraw/zinc/15/15/42/1259151542.db2.gz CSLNCKVCYCVRDS-SUMDDJOVSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCOCC3CC3)CCO2)O1 ZINC001108023508 1259151544 /nfs/dbraw/zinc/15/15/44/1259151544.db2.gz CSLNCKVCYCVRDS-SUMDDJOVSA-N 2 2 369.506 0.339 20 0 FCADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090315 1259154829 /nfs/dbraw/zinc/15/48/29/1259154829.db2.gz RHTUXMCVCLTPEQ-ZIFCJYIRSA-N 2 2 369.506 0.483 20 0 FCADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090315 1259154831 /nfs/dbraw/zinc/15/48/31/1259154831.db2.gz RHTUXMCVCLTPEQ-ZIFCJYIRSA-N 2 2 369.506 0.483 20 0 FCADLP CCOCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001108546006 1259156776 /nfs/dbraw/zinc/15/67/76/1259156776.db2.gz LUZXCQDRSQJSLO-BHYGNILZSA-N 2 2 366.506 0.155 20 0 FCADLP CCOCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001108546006 1259156779 /nfs/dbraw/zinc/15/67/79/1259156779.db2.gz LUZXCQDRSQJSLO-BHYGNILZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001127548130 1259179035 /nfs/dbraw/zinc/17/90/35/1259179035.db2.gz XIIJNOGNDPHPRE-NVXWUHKLSA-N 2 2 369.469 0.759 20 0 FCADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547103 1259179288 /nfs/dbraw/zinc/17/92/88/1259179288.db2.gz AQZHFUNFAGBDQU-HZPDHXFCSA-N 2 2 361.490 0.728 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128961311 1259274804 /nfs/dbraw/zinc/27/48/04/1259274804.db2.gz BMRKPZPIPMZUOX-ZNMIVQPWSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128961311 1259274808 /nfs/dbraw/zinc/27/48/08/1259274808.db2.gz BMRKPZPIPMZUOX-ZNMIVQPWSA-N 2 2 359.434 0.012 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271782 1259360376 /nfs/dbraw/zinc/36/03/76/1259360376.db2.gz NWIUCRSLNMMPTR-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271782 1259360380 /nfs/dbraw/zinc/36/03/80/1259360380.db2.gz NWIUCRSLNMMPTR-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271989 1259362334 /nfs/dbraw/zinc/36/23/34/1259362334.db2.gz UOPOQDZPLSIWNW-ANQUJSFKSA-N 2 2 373.461 0.193 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271989 1259362342 /nfs/dbraw/zinc/36/23/42/1259362342.db2.gz UOPOQDZPLSIWNW-ANQUJSFKSA-N 2 2 373.461 0.193 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288945 1259367590 /nfs/dbraw/zinc/36/75/90/1259367590.db2.gz LVHDPDYIJCDAFV-XHSDSOJGSA-N 2 2 361.450 0.504 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288945 1259367594 /nfs/dbraw/zinc/36/75/94/1259367594.db2.gz LVHDPDYIJCDAFV-XHSDSOJGSA-N 2 2 361.450 0.504 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130251124 1259375733 /nfs/dbraw/zinc/37/57/33/1259375733.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 2 2 370.473 0.584 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130251124 1259375738 /nfs/dbraw/zinc/37/57/38/1259375738.db2.gz CMEALUXQTXPYAH-KBPBESRZSA-N 2 2 370.473 0.584 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023392 1259413063 /nfs/dbraw/zinc/41/30/63/1259413063.db2.gz HNZBQVGKKBIPSD-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023392 1259413064 /nfs/dbraw/zinc/41/30/64/1259413064.db2.gz HNZBQVGKKBIPSD-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200728378 1259419694 /nfs/dbraw/zinc/41/96/94/1259419694.db2.gz HNKWQLRYERIHRR-RRFJBIMHSA-N 2 2 363.462 0.245 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCO[C@H](C[NH2+]CCn2cccn2)C1 ZINC001200729493 1259420384 /nfs/dbraw/zinc/42/03/84/1259420384.db2.gz OCKPYRQCDRIMAK-BZUAXINKSA-N 2 2 358.446 0.617 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+]CCn2cccn2)C1 ZINC001200729493 1259420391 /nfs/dbraw/zinc/42/03/91/1259420391.db2.gz OCKPYRQCDRIMAK-BZUAXINKSA-N 2 2 358.446 0.617 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212301364 1259457762 /nfs/dbraw/zinc/45/77/62/1259457762.db2.gz ODKFBXZWDBKOJR-ARFHVFGLSA-N 2 2 368.478 0.221 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001212301364 1259457764 /nfs/dbraw/zinc/45/77/64/1259457764.db2.gz ODKFBXZWDBKOJR-ARFHVFGLSA-N 2 2 368.478 0.221 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399268 1259488516 /nfs/dbraw/zinc/48/85/16/1259488516.db2.gz HMEGRVTTZLJTTF-GVDBMIGSSA-N 2 2 368.522 0.258 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399268 1259488518 /nfs/dbraw/zinc/48/85/18/1259488518.db2.gz HMEGRVTTZLJTTF-GVDBMIGSSA-N 2 2 368.522 0.258 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399268 1259488521 /nfs/dbraw/zinc/48/85/21/1259488521.db2.gz HMEGRVTTZLJTTF-GVDBMIGSSA-N 2 2 368.522 0.258 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399268 1259488522 /nfs/dbraw/zinc/48/85/22/1259488522.db2.gz HMEGRVTTZLJTTF-GVDBMIGSSA-N 2 2 368.522 0.258 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)n1 ZINC001212409208 1259493455 /nfs/dbraw/zinc/49/34/55/1259493455.db2.gz APTNSELBMAPUKP-JFIYKMOQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)n1 ZINC001212409208 1259493460 /nfs/dbraw/zinc/49/34/60/1259493460.db2.gz APTNSELBMAPUKP-JFIYKMOQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212413992 1259494837 /nfs/dbraw/zinc/49/48/37/1259494837.db2.gz AUWWSAAZCCJYKZ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212413992 1259494840 /nfs/dbraw/zinc/49/48/40/1259494840.db2.gz AUWWSAAZCCJYKZ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212413992 1259494845 /nfs/dbraw/zinc/49/48/45/1259494845.db2.gz AUWWSAAZCCJYKZ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H](OC)C2)cn1 ZINC001212413992 1259494849 /nfs/dbraw/zinc/49/48/49/1259494849.db2.gz AUWWSAAZCCJYKZ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418162 1259497214 /nfs/dbraw/zinc/49/72/14/1259497214.db2.gz BYQMKRYWEGHLEV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418162 1259497217 /nfs/dbraw/zinc/49/72/17/1259497217.db2.gz BYQMKRYWEGHLEV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418162 1259497220 /nfs/dbraw/zinc/49/72/20/1259497220.db2.gz BYQMKRYWEGHLEV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418162 1259497227 /nfs/dbraw/zinc/49/72/27/1259497227.db2.gz BYQMKRYWEGHLEV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414784 1259497537 /nfs/dbraw/zinc/49/75/37/1259497537.db2.gz UYADFHHERPXQOK-HZPDHXFCSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414784 1259497539 /nfs/dbraw/zinc/49/75/39/1259497539.db2.gz UYADFHHERPXQOK-HZPDHXFCSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414784 1259497542 /nfs/dbraw/zinc/49/75/42/1259497542.db2.gz UYADFHHERPXQOK-HZPDHXFCSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414784 1259497545 /nfs/dbraw/zinc/49/75/45/1259497545.db2.gz UYADFHHERPXQOK-HZPDHXFCSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430258 1259502177 /nfs/dbraw/zinc/50/21/77/1259502177.db2.gz GXUZNDGHZGGARM-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430258 1259502181 /nfs/dbraw/zinc/50/21/81/1259502181.db2.gz GXUZNDGHZGGARM-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430258 1259502189 /nfs/dbraw/zinc/50/21/89/1259502189.db2.gz GXUZNDGHZGGARM-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430258 1259502195 /nfs/dbraw/zinc/50/21/95/1259502195.db2.gz GXUZNDGHZGGARM-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001212477027 1259518161 /nfs/dbraw/zinc/51/81/61/1259518161.db2.gz PEIKOAPMCWBYCF-CGTJXYLNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001212477027 1259518166 /nfs/dbraw/zinc/51/81/66/1259518166.db2.gz PEIKOAPMCWBYCF-CGTJXYLNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212496118 1259525076 /nfs/dbraw/zinc/52/50/76/1259525076.db2.gz ZSNHRPFFLJGAGO-BZUAXINKSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212496118 1259525082 /nfs/dbraw/zinc/52/50/82/1259525082.db2.gz ZSNHRPFFLJGAGO-BZUAXINKSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212496118 1259525087 /nfs/dbraw/zinc/52/50/87/1259525087.db2.gz ZSNHRPFFLJGAGO-BZUAXINKSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212496118 1259525094 /nfs/dbraw/zinc/52/50/94/1259525094.db2.gz ZSNHRPFFLJGAGO-BZUAXINKSA-N 2 2 366.506 0.343 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212509873 1259532564 /nfs/dbraw/zinc/53/25/64/1259532564.db2.gz NJACLUCAANERIA-OWCLPIDISA-N 2 2 366.506 0.474 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212509873 1259532568 /nfs/dbraw/zinc/53/25/68/1259532568.db2.gz NJACLUCAANERIA-OWCLPIDISA-N 2 2 366.506 0.474 20 0 FCADLP c1cc(C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199941 1259569193 /nfs/dbraw/zinc/56/91/93/1259569193.db2.gz JWJPOHMXTHGAKA-HXUWFJFHSA-N 3 2 360.502 0.677 20 0 FCADLP c1cc(C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199941 1259569195 /nfs/dbraw/zinc/56/91/95/1259569195.db2.gz JWJPOHMXTHGAKA-HXUWFJFHSA-N 3 2 360.502 0.677 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2C2=CC[NH2+]C2)C[NH2+]1 ZINC001243108617 1259639040 /nfs/dbraw/zinc/63/90/40/1259639040.db2.gz VBSRLMWEXXOHMJ-CJNGLKHVSA-N 2 2 370.409 0.907 20 0 FCADLP COC(=O)[C@@H]([NH3+])[C@@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052920 1259646909 /nfs/dbraw/zinc/64/69/09/1259646909.db2.gz MKMSRHNVUWFSBC-ZFVVBOAOSA-N 2 2 371.428 0.408 20 0 FCADLP COC(=O)[C@H]1C[C@H](N[C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[NH2+]1 ZINC001246192906 1259649491 /nfs/dbraw/zinc/64/94/91/1259649491.db2.gz ZYQFKJNNKVOSQW-YESZJQIVSA-N 2 2 363.458 0.721 20 0 FCADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246380448 1259653097 /nfs/dbraw/zinc/65/30/97/1259653097.db2.gz VRCYLYYLHZJUTQ-QGZVFWFLSA-N 3 2 357.502 0.190 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H]1CCC[NH2+]C1)C2 ZINC001246730793 1259669965 /nfs/dbraw/zinc/66/99/65/1259669965.db2.gz NATMSIYLMBJSHS-IRXDYDNUSA-N 2 2 363.506 0.420 20 0 FCADLP c1ccc(OCc2nnc3n2CC[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246747531 1259677203 /nfs/dbraw/zinc/67/72/03/1259677203.db2.gz KXZQMQGJLDQIFJ-AWEZNQCLSA-N 2 2 355.446 0.162 20 0 FCADLP c1ccc(OCc2nnc3n2CC[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246747531 1259677212 /nfs/dbraw/zinc/67/72/12/1259677212.db2.gz KXZQMQGJLDQIFJ-AWEZNQCLSA-N 2 2 355.446 0.162 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762660 1259685372 /nfs/dbraw/zinc/68/53/72/1259685372.db2.gz XFNDEMKZAHYBKE-BDXSIMOUSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762660 1259685383 /nfs/dbraw/zinc/68/53/83/1259685383.db2.gz XFNDEMKZAHYBKE-BDXSIMOUSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762660 1259685386 /nfs/dbraw/zinc/68/53/86/1259685386.db2.gz XFNDEMKZAHYBKE-BDXSIMOUSA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CN1 ZINC001246762660 1259685390 /nfs/dbraw/zinc/68/53/90/1259685390.db2.gz XFNDEMKZAHYBKE-BDXSIMOUSA-N 2 2 361.490 0.467 20 0 FCADLP C[C@@H]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C[NH2+]1 ZINC001246768822 1259685703 /nfs/dbraw/zinc/68/57/03/1259685703.db2.gz CLESXTAPJLKJAM-ZBFHGGJFSA-N 2 2 371.489 0.545 20 0 FCADLP C[C@@H]1C[C@@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC[NH2+]1 ZINC001246782043 1259688753 /nfs/dbraw/zinc/68/87/53/1259688753.db2.gz SVNVTUQNBJPVKE-ZBFHGGJFSA-N 2 2 371.489 0.545 20 0 FCADLP c1cc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)ccc1C[NH+]1CCOCC1 ZINC001247852923 1259707592 /nfs/dbraw/zinc/70/75/92/1259707592.db2.gz YGUZIPPUTIFUNR-UHFFFAOYSA-N 3 2 355.442 0.629 20 0 FCADLP C[NH+]1CCN(c2ccc(NC[C@@H](O)C[NH+]3CCOCC3)cc2CO)CC1 ZINC001251028213 1259734209 /nfs/dbraw/zinc/73/42/09/1259734209.db2.gz YZJKDVIULHCGSD-GOSISDBHSA-N 2 2 364.490 0.036 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc[nH+]1 ZINC001335630589 1259753089 /nfs/dbraw/zinc/75/30/89/1259753089.db2.gz SNFVEZOQYYRDSE-MRXNPFEDSA-N 2 2 374.489 0.775 20 0 FCADLP C[NH+]1CCN(CC(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC001251782064 1259760000 /nfs/dbraw/zinc/76/00/00/1259760000.db2.gz NLNJRWUURLUDQZ-UHFFFAOYSA-N 2 2 359.518 0.298 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC001335646165 1259762640 /nfs/dbraw/zinc/76/26/40/1259762640.db2.gz MNOXTOCTFBWYKD-IBGZPJMESA-N 3 2 359.518 0.978 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C[C@@H]1Cc1ccccc1 ZINC001335646165 1259762644 /nfs/dbraw/zinc/76/26/44/1259762644.db2.gz MNOXTOCTFBWYKD-IBGZPJMESA-N 3 2 359.518 0.978 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001253182054 1259827070 /nfs/dbraw/zinc/82/70/70/1259827070.db2.gz LAKIECQOLRFLFM-WNRNVDISSA-N 2 2 369.506 0.723 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001253182054 1259827073 /nfs/dbraw/zinc/82/70/73/1259827073.db2.gz LAKIECQOLRFLFM-WNRNVDISSA-N 2 2 369.506 0.723 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001253185310 1259827834 /nfs/dbraw/zinc/82/78/34/1259827834.db2.gz QFWIMWYLVRZYAU-BRSBDYLESA-N 2 2 371.522 0.416 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001253185310 1259827842 /nfs/dbraw/zinc/82/78/42/1259827842.db2.gz QFWIMWYLVRZYAU-BRSBDYLESA-N 2 2 371.522 0.416 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001253185915 1259829571 /nfs/dbraw/zinc/82/95/71/1259829571.db2.gz UXWDWEJIMRBYQV-AOIWGVFYSA-N 2 2 368.522 0.443 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001253185915 1259829572 /nfs/dbraw/zinc/82/95/72/1259829572.db2.gz UXWDWEJIMRBYQV-AOIWGVFYSA-N 2 2 368.522 0.443 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC001254046958 1259868838 /nfs/dbraw/zinc/86/88/38/1259868838.db2.gz ZKVKMSRQCSBNEL-UHFFFAOYSA-N 2 2 373.461 0.468 20 0 FCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C1CCC(F)(F)CC1 ZINC001254214879 1259876070 /nfs/dbraw/zinc/87/60/70/1259876070.db2.gz BZRWFMOJNRQZBG-KBPBESRZSA-N 2 2 369.416 0.980 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001331821381 1266292132 /nfs/dbraw/zinc/29/21/32/1266292132.db2.gz MYZISDNXGVWEEQ-OALUTQOASA-N 2 2 360.502 0.817 20 0 FCADLP O=C([C@H]1C[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001254857665 1259898204 /nfs/dbraw/zinc/89/82/04/1259898204.db2.gz RCWHCQWWEVOHMO-CADBVGFASA-N 2 2 363.502 0.666 20 0 FCADLP O=C([C@H]1C[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001254857665 1259898215 /nfs/dbraw/zinc/89/82/15/1259898215.db2.gz RCWHCQWWEVOHMO-CADBVGFASA-N 2 2 363.502 0.666 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C1CC[NH+](C)CC1)CC2 ZINC001256203353 1259935812 /nfs/dbraw/zinc/93/58/12/1259935812.db2.gz GLKJIPRAFUZEJF-UHFFFAOYSA-N 2 2 360.506 0.260 20 0 FCADLP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205708 1259937727 /nfs/dbraw/zinc/93/77/27/1259937727.db2.gz XRIIBXLFZODBSF-LJQANCHMSA-N 2 2 374.489 0.154 20 0 FCADLP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205708 1259937736 /nfs/dbraw/zinc/93/77/36/1259937736.db2.gz XRIIBXLFZODBSF-LJQANCHMSA-N 2 2 374.489 0.154 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001256885817 1259978407 /nfs/dbraw/zinc/97/84/07/1259978407.db2.gz KGTCOOPNBMXSDE-MRXNPFEDSA-N 2 2 359.474 0.767 20 0 FCADLP COC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001257568893 1260021349 /nfs/dbraw/zinc/02/13/49/1260021349.db2.gz JZOYBXGKAQPNGS-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC001261503117 1260151572 /nfs/dbraw/zinc/15/15/72/1260151572.db2.gz MJVABPKNRPRJOC-UHFFFAOYSA-N 4 2 365.566 0.546 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC001261503117 1260151579 /nfs/dbraw/zinc/15/15/79/1260151579.db2.gz MJVABPKNRPRJOC-UHFFFAOYSA-N 4 2 365.566 0.546 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)c2ccccc2F)CN1CC[NH+]1CCOCC1 ZINC001336784342 1260223340 /nfs/dbraw/zinc/22/33/40/1260223340.db2.gz FUMOFIDGIYPWPG-YOEHRIQHSA-N 2 2 351.422 0.382 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001336803329 1260226986 /nfs/dbraw/zinc/22/69/86/1260226986.db2.gz ZARQJOKJCNLMGY-SZVBFZGTSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001336803329 1260226989 /nfs/dbraw/zinc/22/69/89/1260226989.db2.gz ZARQJOKJCNLMGY-SZVBFZGTSA-N 2 2 351.491 0.797 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001337601699 1260437506 /nfs/dbraw/zinc/43/75/06/1260437506.db2.gz OCKTXAFUHMAEDH-HNNXBMFYSA-N 2 2 362.499 0.994 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001337601699 1260437510 /nfs/dbraw/zinc/43/75/10/1260437510.db2.gz OCKTXAFUHMAEDH-HNNXBMFYSA-N 2 2 362.499 0.994 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001271682404 1260446665 /nfs/dbraw/zinc/44/66/65/1260446665.db2.gz APVGJODGZJOARO-IKGGRYGDSA-N 2 2 357.458 0.427 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)CCn2cc[nH+]c2)C3)CC1 ZINC001272991702 1260554981 /nfs/dbraw/zinc/55/49/81/1260554981.db2.gz BKZDMXMIXAXIRD-INIZCTEOSA-N 2 2 359.474 0.674 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)CCn2cc[nH+]c2)C3)CC1 ZINC001272994646 1260556957 /nfs/dbraw/zinc/55/69/57/1260556957.db2.gz KNWBLXAUPWUINO-DNVCBOLYSA-N 2 2 359.474 0.674 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC[NH+](CC1(O)CCOCC1)CC2 ZINC001277814369 1260671330 /nfs/dbraw/zinc/67/13/30/1260671330.db2.gz ZKZQNJRCPRRYNQ-INIZCTEOSA-N 2 2 362.474 0.680 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@H]3CCN3C(=O)OC(C)(C)C)C[C@H](C1)O2 ZINC001278182343 1260685571 /nfs/dbraw/zinc/68/55/71/1260685571.db2.gz AIGPKGRNMCQFHW-ZACQAIPSSA-N 2 2 368.522 0.942 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@H]3CCN3C(=O)OC(C)(C)C)C[C@H](C1)O2 ZINC001278182343 1260685578 /nfs/dbraw/zinc/68/55/78/1260685578.db2.gz AIGPKGRNMCQFHW-ZACQAIPSSA-N 2 2 368.522 0.942 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC2(C1)C[NH+](CC1C(=O)N=CNC1=O)C2 ZINC001278560995 1260708292 /nfs/dbraw/zinc/70/82/92/1260708292.db2.gz QLEBBJODUSOCIY-CQSZACIVSA-N 2 2 359.430 0.016 20 0 FCADLP Cc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)nn1C ZINC001279008944 1260771282 /nfs/dbraw/zinc/77/12/82/1260771282.db2.gz KKDGKDUIWDHZTC-IBGZPJMESA-N 2 2 362.522 0.447 20 0 FCADLP Cc1cc(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)nn1C ZINC001279008944 1260771288 /nfs/dbraw/zinc/77/12/88/1260771288.db2.gz KKDGKDUIWDHZTC-IBGZPJMESA-N 2 2 362.522 0.447 20 0 FCADLP O=C1NC2(CC[NH+](Cc3ccon3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279286336 1260823615 /nfs/dbraw/zinc/82/36/15/1260823615.db2.gz XXCGMLIHZUUZMG-HZPDHXFCSA-N 2 2 356.430 0.610 20 0 FCADLP O=C1NC2(CC[NH+](Cc3ccon3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279286336 1260823620 /nfs/dbraw/zinc/82/36/20/1260823620.db2.gz XXCGMLIHZUUZMG-HZPDHXFCSA-N 2 2 356.430 0.610 20 0 FCADLP Cc1nc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](CCN(C)C)C[C@@H]23)co1 ZINC001279385126 1260852850 /nfs/dbraw/zinc/85/28/50/1260852850.db2.gz PXSPDEAKINBFOQ-IRXDYDNUSA-N 2 2 361.490 0.557 20 0 FCADLP Cc1nc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](CCN(C)C)C[C@@H]23)co1 ZINC001279385126 1260852862 /nfs/dbraw/zinc/85/28/62/1260852862.db2.gz PXSPDEAKINBFOQ-IRXDYDNUSA-N 2 2 361.490 0.557 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCC2(C[NH+](Cc3ccc(=O)[nH]n3)C2)C1 ZINC001279459017 1260872880 /nfs/dbraw/zinc/87/28/80/1260872880.db2.gz QGVAMUAHPIPODB-INIZCTEOSA-N 2 2 357.458 0.701 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001279473481 1260876431 /nfs/dbraw/zinc/87/64/31/1260876431.db2.gz CPFZEEYUGUXCOI-HCXYKTFWSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001279473481 1260876438 /nfs/dbraw/zinc/87/64/38/1260876438.db2.gz CPFZEEYUGUXCOI-HCXYKTFWSA-N 2 2 363.502 0.951 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)C1=NO[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]12 ZINC001279890590 1260952149 /nfs/dbraw/zinc/95/21/49/1260952149.db2.gz VVLAMHRRSKFDEF-MELADBBJSA-N 2 2 355.398 0.996 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]12 ZINC001279890590 1260952152 /nfs/dbraw/zinc/95/21/52/1260952152.db2.gz VVLAMHRRSKFDEF-MELADBBJSA-N 2 2 355.398 0.996 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[N@@H+](C2CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280176534 1261021549 /nfs/dbraw/zinc/02/15/49/1261021549.db2.gz VWCVEDRHIIFMEN-PXNSSMCTSA-N 2 2 360.502 0.816 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[N@H+](C2CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280176534 1261021554 /nfs/dbraw/zinc/02/15/54/1261021554.db2.gz VWCVEDRHIIFMEN-PXNSSMCTSA-N 2 2 360.502 0.816 20 0 FCADLP COCCN(C)C(=O)C1=NO[C@@H]2C[N@H+](CC3(C[NH+](C)C)CCCC3)C[C@H]12 ZINC001280238433 1261041581 /nfs/dbraw/zinc/04/15/81/1261041581.db2.gz YUVWLBIRPXTNFB-JKSUJKDBSA-N 2 2 366.506 0.900 20 0 FCADLP COCCN(C)C(=O)C1=NO[C@@H]2C[N@@H+](CC3(C[NH+](C)C)CCCC3)C[C@H]12 ZINC001280238433 1261041584 /nfs/dbraw/zinc/04/15/84/1261041584.db2.gz YUVWLBIRPXTNFB-JKSUJKDBSA-N 2 2 366.506 0.900 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001281631729 1261130220 /nfs/dbraw/zinc/13/02/20/1261130220.db2.gz DUWRZEPGKJYKFM-YQQAZPJKSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001281631729 1261130222 /nfs/dbraw/zinc/13/02/22/1261130222.db2.gz DUWRZEPGKJYKFM-YQQAZPJKSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001281631729 1261130223 /nfs/dbraw/zinc/13/02/23/1261130223.db2.gz DUWRZEPGKJYKFM-YQQAZPJKSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001281631729 1261130224 /nfs/dbraw/zinc/13/02/24/1261130224.db2.gz DUWRZEPGKJYKFM-YQQAZPJKSA-N 2 2 361.490 0.989 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)CC1 ZINC001282303519 1261409706 /nfs/dbraw/zinc/40/97/06/1261409706.db2.gz CWNKVHCGXHTGLX-CABCVRRESA-N 2 2 359.474 0.601 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001345104436 1261636099 /nfs/dbraw/zinc/63/60/99/1261636099.db2.gz QDANKHBFRJOCIF-GVDBMIGSSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001345104436 1261636108 /nfs/dbraw/zinc/63/61/08/1261636108.db2.gz QDANKHBFRJOCIF-GVDBMIGSSA-N 2 2 373.501 0.944 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(O)c3)C2)CC1 ZINC001345288097 1261666829 /nfs/dbraw/zinc/66/68/29/1261666829.db2.gz APYGVLVOFUXOCW-OAHLLOKOSA-N 2 2 360.458 0.293 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(O)c3)C2)CC1 ZINC001345288097 1261666834 /nfs/dbraw/zinc/66/68/34/1261666834.db2.gz APYGVLVOFUXOCW-OAHLLOKOSA-N 2 2 360.458 0.293 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCN(C)C(=O)CC(C)(C)O)CC2)CC[N@@H+]1C ZINC001284820697 1261790735 /nfs/dbraw/zinc/79/07/35/1261790735.db2.gz ZQUHYDRABNJFCD-HZPDHXFCSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCN(C)C(=O)CC(C)(C)O)CC2)CC[N@H+]1C ZINC001284820697 1261790741 /nfs/dbraw/zinc/79/07/41/1261790741.db2.gz ZQUHYDRABNJFCD-HZPDHXFCSA-N 2 2 368.522 0.090 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001285225857 1261821329 /nfs/dbraw/zinc/82/13/29/1261821329.db2.gz UJJACBMEFKYWIL-BPLDGKMQSA-N 2 2 358.446 0.597 20 0 FCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001293135232 1262710133 /nfs/dbraw/zinc/71/01/33/1262710133.db2.gz BPDUTNIRBNBIKZ-INIZCTEOSA-N 2 2 366.510 0.330 20 0 FCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001293135232 1262710138 /nfs/dbraw/zinc/71/01/38/1262710138.db2.gz BPDUTNIRBNBIKZ-INIZCTEOSA-N 2 2 366.510 0.330 20 0 FCADLP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](CC)CC ZINC001297139419 1262851820 /nfs/dbraw/zinc/85/18/20/1262851820.db2.gz JFPBWJCRTUDFBQ-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC001580364125 1278170921 /nfs/dbraw/zinc/17/09/21/1278170921.db2.gz GMQICJYQDMLLJJ-HNNXBMFYSA-N 2 2 352.504 0.846 20 0 FCADLP CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC001303495019 1263100750 /nfs/dbraw/zinc/10/07/50/1263100750.db2.gz ZVFAXWNWAZZZCU-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC001303495019 1263100754 /nfs/dbraw/zinc/10/07/54/1263100754.db2.gz ZVFAXWNWAZZZCU-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580378171 1278190666 /nfs/dbraw/zinc/19/06/66/1278190666.db2.gz WAGZQZPJNCMTMC-DOMZBBRYSA-N 2 2 370.461 0.829 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580378171 1278190670 /nfs/dbraw/zinc/19/06/70/1278190670.db2.gz WAGZQZPJNCMTMC-DOMZBBRYSA-N 2 2 370.461 0.829 20 0 FCADLP C[C@@H](c1ncccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479930325 1263417831 /nfs/dbraw/zinc/41/78/31/1263417831.db2.gz JBENEQWABSUGPO-IXDOHACOSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@@H](c1ncccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479930325 1263417836 /nfs/dbraw/zinc/41/78/36/1263417836.db2.gz JBENEQWABSUGPO-IXDOHACOSA-N 2 2 360.506 0.612 20 0 FCADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001482629585 1263444226 /nfs/dbraw/zinc/44/42/26/1263444226.db2.gz JFZOZEWOUVCTIL-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001482629585 1263444235 /nfs/dbraw/zinc/44/42/35/1263444235.db2.gz JFZOZEWOUVCTIL-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001482629585 1263444237 /nfs/dbraw/zinc/44/42/37/1263444237.db2.gz JFZOZEWOUVCTIL-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001482629585 1263444243 /nfs/dbraw/zinc/44/42/43/1263444243.db2.gz JFZOZEWOUVCTIL-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001316963758 1263496801 /nfs/dbraw/zinc/49/68/01/1263496801.db2.gz PWAWQQSCERICBS-NVXWUHKLSA-N 2 2 363.506 0.865 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001316963758 1263496803 /nfs/dbraw/zinc/49/68/03/1263496803.db2.gz PWAWQQSCERICBS-NVXWUHKLSA-N 2 2 363.506 0.865 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCN3C(=O)CCC3=O)CC2)CC1 ZINC001318074295 1263543410 /nfs/dbraw/zinc/54/34/10/1263543410.db2.gz VMNOBSYBALIQMD-UHFFFAOYSA-N 2 2 364.490 0.590 20 0 FCADLP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318533937 1263583747 /nfs/dbraw/zinc/58/37/47/1263583747.db2.gz HWOGOOCBSGTSPQ-CQSZACIVSA-N 2 2 372.473 0.158 20 0 FCADLP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318533937 1263583751 /nfs/dbraw/zinc/58/37/51/1263583751.db2.gz HWOGOOCBSGTSPQ-CQSZACIVSA-N 2 2 372.473 0.158 20 0 FCADLP CN(Cc1nnc2n1CCC2)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318857537 1263618119 /nfs/dbraw/zinc/61/81/19/1263618119.db2.gz QBXPLFAVUFNSBX-AWEZNQCLSA-N 2 2 361.494 0.534 20 0 FCADLP CN(Cc1nnc2n1CCC2)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318857537 1263618126 /nfs/dbraw/zinc/61/81/26/1263618126.db2.gz QBXPLFAVUFNSBX-AWEZNQCLSA-N 2 2 361.494 0.534 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccc(F)nc3)CC2)CC1 ZINC001319211754 1263664557 /nfs/dbraw/zinc/66/45/57/1263664557.db2.gz UCVRUFSYZNLSNW-UHFFFAOYSA-N 2 2 363.437 0.834 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001320937455 1263884450 /nfs/dbraw/zinc/88/44/50/1263884450.db2.gz IVLBMOYKIFSLPR-QGZVFWFLSA-N 2 2 371.441 0.831 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC001322499282 1264207018 /nfs/dbraw/zinc/20/70/18/1264207018.db2.gz IFBNRPYTIOTOAT-GJZGRUSLSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)C1CC1 ZINC001322499282 1264207027 /nfs/dbraw/zinc/20/70/27/1264207027.db2.gz IFBNRPYTIOTOAT-GJZGRUSLSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC001322499283 1264207204 /nfs/dbraw/zinc/20/72/04/1264207204.db2.gz IFBNRPYTIOTOAT-HUUCEWRRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)C1CC1 ZINC001322499283 1264207214 /nfs/dbraw/zinc/20/72/14/1264207214.db2.gz IFBNRPYTIOTOAT-HUUCEWRRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC001322574754 1264222077 /nfs/dbraw/zinc/22/20/77/1264222077.db2.gz MXNADTZTGTXZRL-CABCVRRESA-N 2 2 366.506 0.202 20 0 FCADLP O=C(C1CC1)N1CCC([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001322630291 1264233819 /nfs/dbraw/zinc/23/38/19/1264233819.db2.gz PNOBPEZTRXFMPM-UHFFFAOYSA-N 2 2 364.534 0.774 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322689965 1264243553 /nfs/dbraw/zinc/24/35/53/1264243553.db2.gz XCYJTLRITFZXPS-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001506210022 1264304120 /nfs/dbraw/zinc/30/41/20/1264304120.db2.gz FFSZYUGJLSWOGC-RBSFLKMASA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001506210022 1264304131 /nfs/dbraw/zinc/30/41/31/1264304131.db2.gz FFSZYUGJLSWOGC-RBSFLKMASA-N 2 2 359.474 0.630 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994829 1264311253 /nfs/dbraw/zinc/31/12/53/1264311253.db2.gz VVEQKPSXTKKLKP-AWEZNQCLSA-N 2 2 363.437 0.122 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994829 1264311265 /nfs/dbraw/zinc/31/12/65/1264311265.db2.gz VVEQKPSXTKKLKP-AWEZNQCLSA-N 2 2 363.437 0.122 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)CC2)CC1 ZINC001323069209 1264330766 /nfs/dbraw/zinc/33/07/66/1264330766.db2.gz RPVUDRBBPPFSNN-CQSZACIVSA-N 2 2 372.460 0.965 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1[nH+]ccn1C ZINC001580403284 1278232109 /nfs/dbraw/zinc/23/21/09/1278232109.db2.gz XXVINEYUNWOSKG-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC001323782002 1264513299 /nfs/dbraw/zinc/51/32/99/1264513299.db2.gz RPLLTWPDSQHDQZ-HOTGVXAUSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC001323782002 1264513306 /nfs/dbraw/zinc/51/33/06/1264513306.db2.gz RPLLTWPDSQHDQZ-HOTGVXAUSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001323850390 1264528488 /nfs/dbraw/zinc/52/84/88/1264528488.db2.gz CHDCOGYMOPKLQU-HLLBOEOZSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001323850390 1264528490 /nfs/dbraw/zinc/52/84/90/1264528490.db2.gz CHDCOGYMOPKLQU-HLLBOEOZSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001580406478 1278240862 /nfs/dbraw/zinc/24/08/62/1278240862.db2.gz LLIQFVQCBSUXHZ-SNVBAGLBSA-N 2 2 358.381 0.566 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC001326284471 1265093153 /nfs/dbraw/zinc/09/31/53/1265093153.db2.gz VSCXWPKSROAHDW-UHFFFAOYSA-N 2 2 351.414 0.784 20 0 FCADLP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001580408851 1278250236 /nfs/dbraw/zinc/25/02/36/1278250236.db2.gz IQDNBGJPCWWVPN-MRXNPFEDSA-N 2 2 358.442 0.603 20 0 FCADLP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001580408851 1278250239 /nfs/dbraw/zinc/25/02/39/1278250239.db2.gz IQDNBGJPCWWVPN-MRXNPFEDSA-N 2 2 358.442 0.603 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001333472835 1266608180 /nfs/dbraw/zinc/60/81/80/1266608180.db2.gz XJTGBKKCTMGSBF-INIZCTEOSA-N 2 2 366.506 0.206 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001333472835 1266608185 /nfs/dbraw/zinc/60/81/85/1266608185.db2.gz XJTGBKKCTMGSBF-INIZCTEOSA-N 2 2 366.506 0.206 20 0 FCADLP CC[N@H+](C)CCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001523251891 1266615911 /nfs/dbraw/zinc/61/59/11/1266615911.db2.gz ICURZTQKARZCBX-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001523251891 1266615914 /nfs/dbraw/zinc/61/59/14/1266615914.db2.gz ICURZTQKARZCBX-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP C(=C/CN1CC[NH+]([C@@H]2CCOC2)CC1)\CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333570984 1266634901 /nfs/dbraw/zinc/63/49/01/1266634901.db2.gz DVWBZTAKAIDUDN-RHZFVVMASA-N 2 2 364.534 0.356 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCn2c[nH+]cc2C1 ZINC001334098890 1266821185 /nfs/dbraw/zinc/82/11/85/1266821185.db2.gz LQIYTZSDBKHVFD-MRXNPFEDSA-N 2 2 362.478 0.205 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCn2c[nH+]cc2C1 ZINC001334098890 1266821206 /nfs/dbraw/zinc/82/12/06/1266821206.db2.gz LQIYTZSDBKHVFD-MRXNPFEDSA-N 2 2 362.478 0.205 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473163 1266902312 /nfs/dbraw/zinc/90/23/12/1266902312.db2.gz FRJUFEOUWMVJPW-ACJLOTCBSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473163 1266902317 /nfs/dbraw/zinc/90/23/17/1266902317.db2.gz FRJUFEOUWMVJPW-ACJLOTCBSA-N 2 2 352.479 0.938 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001334855531 1267203148 /nfs/dbraw/zinc/20/31/48/1267203148.db2.gz QAKCWQLKNWTNTA-AWEZNQCLSA-N 2 2 368.441 0.554 20 0 FCADLP C[NH+]1CCN(C2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)C2)CC1 ZINC001334933598 1267235634 /nfs/dbraw/zinc/23/56/34/1267235634.db2.gz KAQNLGNENBHZFB-LJQANCHMSA-N 2 2 357.502 0.894 20 0 FCADLP C[NH+]1CCN(C2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)C2)CC1 ZINC001334933598 1267235646 /nfs/dbraw/zinc/23/56/46/1267235646.db2.gz KAQNLGNENBHZFB-LJQANCHMSA-N 2 2 357.502 0.894 20 0 FCADLP CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[NH+](C)C ZINC001535540603 1267299511 /nfs/dbraw/zinc/29/95/11/1267299511.db2.gz LPLIECSBPJFCHX-FMKPAKJESA-N 2 2 361.490 0.875 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C(C)C)CC1 ZINC001548417103 1267699609 /nfs/dbraw/zinc/69/96/09/1267699609.db2.gz FWQXMABBFCNGKL-JKSUJKDBSA-N 2 2 351.495 0.463 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C(C)C)CC1 ZINC001548417103 1267699612 /nfs/dbraw/zinc/69/96/12/1267699612.db2.gz FWQXMABBFCNGKL-JKSUJKDBSA-N 2 2 351.495 0.463 20 0 FCADLP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC001548897937 1267767104 /nfs/dbraw/zinc/76/71/04/1267767104.db2.gz RHPDLLAMQBCHEQ-PBHICJAKSA-N 2 2 362.478 0.818 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549153196 1267830938 /nfs/dbraw/zinc/83/09/38/1267830938.db2.gz KSKDWGHNPFNASC-JKIFEVAISA-N 2 2 362.478 0.912 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC001549152675 1267831022 /nfs/dbraw/zinc/83/10/22/1267831022.db2.gz DWWJRBSPICNKGC-ZJOBFFGXSA-N 2 2 362.478 0.864 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC001549152675 1267831026 /nfs/dbraw/zinc/83/10/26/1267831026.db2.gz DWWJRBSPICNKGC-ZJOBFFGXSA-N 2 2 362.478 0.864 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549154707 1267833633 /nfs/dbraw/zinc/83/36/33/1267833633.db2.gz HSOCBIJVNMJMLN-BBRMVZONSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC001549159532 1267839436 /nfs/dbraw/zinc/83/94/36/1267839436.db2.gz YBQVBJWMOLZNET-CJNGLKHVSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001549161121 1267841033 /nfs/dbraw/zinc/84/10/33/1267841033.db2.gz ICXFFUFOVQWAIO-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001549161121 1267841046 /nfs/dbraw/zinc/84/10/46/1267841046.db2.gz ICXFFUFOVQWAIO-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCC1CCC(C[NH3+])CC1 ZINC001549176854 1267852926 /nfs/dbraw/zinc/85/29/26/1267852926.db2.gz YSOGRKRPGDYIKL-TXBNBULBSA-N 2 2 362.478 0.804 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001549176351 1267853066 /nfs/dbraw/zinc/85/30/66/1267853066.db2.gz CXCKNIVTWPWNEF-GGOFEBJYSA-N 2 2 360.462 0.509 20 0 FCADLP Cc1c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)ccc2c[nH+]cn21 ZINC001338329263 1267909882 /nfs/dbraw/zinc/90/98/82/1267909882.db2.gz UZNHMRBODMFAMP-UHFFFAOYSA-N 2 2 370.457 0.768 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2C)CC1 ZINC001338415824 1267932657 /nfs/dbraw/zinc/93/26/57/1267932657.db2.gz FBCNNHYKMPHZKK-INIZCTEOSA-N 2 2 366.510 0.755 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2C)CC1 ZINC001338415824 1267932661 /nfs/dbraw/zinc/93/26/61/1267932661.db2.gz FBCNNHYKMPHZKK-INIZCTEOSA-N 2 2 366.510 0.755 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549737713 1267984084 /nfs/dbraw/zinc/98/40/84/1267984084.db2.gz LMXLEAAJBUFJCD-DNVCBOLYSA-N 2 2 359.474 0.525 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001549808048 1268001568 /nfs/dbraw/zinc/00/15/68/1268001568.db2.gz OBYSEGRRMDFWAB-WVZRYYJFSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001549808048 1268001580 /nfs/dbraw/zinc/00/15/80/1268001580.db2.gz OBYSEGRRMDFWAB-WVZRYYJFSA-N 2 2 360.462 0.475 20 0 FCADLP CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001549916118 1268019616 /nfs/dbraw/zinc/01/96/16/1268019616.db2.gz OVTFFCQSILFOMO-OAHLLOKOSA-N 2 2 358.494 0.926 20 0 FCADLP CC(C)Nc1ncnc2c1ncn2C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001549916118 1268019629 /nfs/dbraw/zinc/01/96/29/1268019629.db2.gz OVTFFCQSILFOMO-OAHLLOKOSA-N 2 2 358.494 0.926 20 0 FCADLP O=C([C@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001550100826 1268073630 /nfs/dbraw/zinc/07/36/30/1268073630.db2.gz COCDPULAGTYWCO-UONOGXRCSA-N 2 2 357.380 0.561 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3([NH3+])CCN(C(C)=O)C3)CC2)cc1 ZINC001550193944 1268089745 /nfs/dbraw/zinc/08/97/45/1268089745.db2.gz AOJRESQPVUGDOC-HXUWFJFHSA-N 2 2 358.486 0.843 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541617 1268130501 /nfs/dbraw/zinc/13/05/01/1268130501.db2.gz AQASPLQFNLQTDE-HOTGVXAUSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550541617 1268130504 /nfs/dbraw/zinc/13/05/04/1268130504.db2.gz AQASPLQFNLQTDE-HOTGVXAUSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550541617 1268130509 /nfs/dbraw/zinc/13/05/09/1268130509.db2.gz AQASPLQFNLQTDE-HOTGVXAUSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550541617 1268130513 /nfs/dbraw/zinc/13/05/13/1268130513.db2.gz AQASPLQFNLQTDE-HOTGVXAUSA-N 2 2 374.485 0.942 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3COCC[C@H]3[NH3+])C2)c1 ZINC001550760226 1268164288 /nfs/dbraw/zinc/16/42/88/1268164288.db2.gz IFAKZMDLTZPLEQ-KURKYZTESA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3COCC[C@H]3[NH3+])C2)c1 ZINC001550760226 1268164294 /nfs/dbraw/zinc/16/42/94/1268164294.db2.gz IFAKZMDLTZPLEQ-KURKYZTESA-N 2 2 362.474 0.611 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CC1 ZINC001339148056 1268175662 /nfs/dbraw/zinc/17/56/62/1268175662.db2.gz SZQNCOZZLWSQBH-OAHLLOKOSA-N 2 2 350.511 0.940 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551284243 1268223313 /nfs/dbraw/zinc/22/33/13/1268223313.db2.gz MTPYDEZMPVMMQK-UPTPFMHGSA-N 2 2 354.495 0.650 20 0 FCADLP Cn1c([C@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001339486989 1268249996 /nfs/dbraw/zinc/24/99/96/1268249996.db2.gz LTOAFMAFCLBSCI-HUUCEWRRSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001339486989 1268249997 /nfs/dbraw/zinc/24/99/97/1268249997.db2.gz LTOAFMAFCLBSCI-HUUCEWRRSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001339486989 1268249999 /nfs/dbraw/zinc/24/99/99/1268249999.db2.gz LTOAFMAFCLBSCI-HUUCEWRRSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001339486989 1268250001 /nfs/dbraw/zinc/25/00/01/1268250001.db2.gz LTOAFMAFCLBSCI-HUUCEWRRSA-N 2 2 361.494 0.325 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498722 1268261907 /nfs/dbraw/zinc/26/19/07/1268261907.db2.gz QLLANVKYDROYSI-OGWOLHLISA-N 2 2 360.458 0.872 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498722 1268261922 /nfs/dbraw/zinc/26/19/22/1268261922.db2.gz QLLANVKYDROYSI-OGWOLHLISA-N 2 2 360.458 0.872 20 0 FCADLP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001339565351 1268271928 /nfs/dbraw/zinc/27/19/28/1268271928.db2.gz LMNFGYBQXSELBS-ZDUSSCGKSA-N 2 2 366.466 0.330 20 0 FCADLP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001339565351 1268271932 /nfs/dbraw/zinc/27/19/32/1268271932.db2.gz LMNFGYBQXSELBS-ZDUSSCGKSA-N 2 2 366.466 0.330 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939653 1268315005 /nfs/dbraw/zinc/31/50/05/1268315005.db2.gz SDWXDIDHEAEUFF-ZNMIVQPWSA-N 2 2 362.478 0.347 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939653 1268315017 /nfs/dbraw/zinc/31/50/17/1268315017.db2.gz SDWXDIDHEAEUFF-ZNMIVQPWSA-N 2 2 362.478 0.347 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@@H+]1C ZINC001551937978 1268316221 /nfs/dbraw/zinc/31/62/21/1268316221.db2.gz IYHFECHBMQHDHH-GBJTYRQASA-N 2 2 362.478 0.499 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@H+]1C ZINC001551937978 1268316234 /nfs/dbraw/zinc/31/62/34/1268316234.db2.gz IYHFECHBMQHDHH-GBJTYRQASA-N 2 2 362.478 0.499 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)N(c2cc(N)[nH+]cn2)C1 ZINC001551939028 1268316633 /nfs/dbraw/zinc/31/66/33/1268316633.db2.gz LFVWPCUICHXCNM-LXTVHRRPSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)N(c2cc(N)[nH+]cn2)C1 ZINC001551939028 1268316644 /nfs/dbraw/zinc/31/66/44/1268316644.db2.gz LFVWPCUICHXCNM-LXTVHRRPSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC001552008554 1268350943 /nfs/dbraw/zinc/35/09/43/1268350943.db2.gz BDFQRFXRHKLNHT-WNRNVDISSA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001552013054 1268352520 /nfs/dbraw/zinc/35/25/20/1268352520.db2.gz XXBTZAPMFNEPOP-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC001552093763 1268370290 /nfs/dbraw/zinc/37/02/90/1268370290.db2.gz FNMAGBTYJKLPLW-BZUAXINKSA-N 2 2 354.495 0.384 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC001552093763 1268370301 /nfs/dbraw/zinc/37/03/01/1268370301.db2.gz FNMAGBTYJKLPLW-BZUAXINKSA-N 2 2 354.495 0.384 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC001340017469 1268407770 /nfs/dbraw/zinc/40/77/70/1268407770.db2.gz MFAFHNWXMXMMME-UHFFFAOYSA-N 2 2 366.510 0.584 20 0 FCADLP O=C(NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC001552245537 1268420252 /nfs/dbraw/zinc/42/02/52/1268420252.db2.gz GSGYHCBROMDDMN-BFHYXJOUSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC001552245537 1268420258 /nfs/dbraw/zinc/42/02/58/1268420258.db2.gz GSGYHCBROMDDMN-BFHYXJOUSA-N 2 2 356.467 0.948 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC001552276558 1268430498 /nfs/dbraw/zinc/43/04/98/1268430498.db2.gz ZPJDCCGGCHAPAK-UXHICEINSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC001552276558 1268430502 /nfs/dbraw/zinc/43/05/02/1268430502.db2.gz ZPJDCCGGCHAPAK-UXHICEINSA-N 2 2 359.470 0.950 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001580501275 1278411161 /nfs/dbraw/zinc/41/11/61/1278411161.db2.gz KSOQGMVOUVQBNO-SNVBAGLBSA-N 2 2 372.408 0.874 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001580501269 1278412716 /nfs/dbraw/zinc/41/27/16/1278412716.db2.gz KSOQGMVOUVQBNO-JTQLQIEISA-N 2 2 372.408 0.874 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001580502767 1278414149 /nfs/dbraw/zinc/41/41/49/1278414149.db2.gz YLCWRCMYHFPBBQ-UHFFFAOYSA-N 2 2 366.429 0.879 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC001552712055 1268529565 /nfs/dbraw/zinc/52/95/65/1268529565.db2.gz DUPCRJYSXRMOSO-QZTJIDSGSA-N 2 2 369.469 0.773 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC001552712055 1268529571 /nfs/dbraw/zinc/52/95/71/1268529571.db2.gz DUPCRJYSXRMOSO-QZTJIDSGSA-N 2 2 369.469 0.773 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001552995619 1268575723 /nfs/dbraw/zinc/57/57/23/1268575723.db2.gz FJPKPYTVTUKUCZ-IWSXDTNSSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001552995619 1268575731 /nfs/dbraw/zinc/57/57/31/1268575731.db2.gz FJPKPYTVTUKUCZ-IWSXDTNSSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H](O)C2 ZINC001552995619 1268575736 /nfs/dbraw/zinc/57/57/36/1268575736.db2.gz FJPKPYTVTUKUCZ-IWSXDTNSSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H](O)C2 ZINC001552995619 1268575741 /nfs/dbraw/zinc/57/57/41/1268575741.db2.gz FJPKPYTVTUKUCZ-IWSXDTNSSA-N 2 2 354.495 0.096 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553119652 1268593199 /nfs/dbraw/zinc/59/31/99/1268593199.db2.gz GFSIFHYVJYXDRQ-XMTFNYHQSA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553119652 1268593204 /nfs/dbraw/zinc/59/32/04/1268593204.db2.gz GFSIFHYVJYXDRQ-XMTFNYHQSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001553143511 1268597601 /nfs/dbraw/zinc/59/76/01/1268597601.db2.gz DAHDKKVJTVATRX-SCTDSRPQSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001553143511 1268597602 /nfs/dbraw/zinc/59/76/02/1268597602.db2.gz DAHDKKVJTVATRX-SCTDSRPQSA-N 2 2 351.491 0.811 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)n1 ZINC001553171638 1268602943 /nfs/dbraw/zinc/60/29/43/1268602943.db2.gz JZZATFWYFIAINV-HRCADAONSA-N 2 2 358.446 0.707 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)n1 ZINC001553171638 1268602952 /nfs/dbraw/zinc/60/29/52/1268602952.db2.gz JZZATFWYFIAINV-HRCADAONSA-N 2 2 358.446 0.707 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553403742 1268645465 /nfs/dbraw/zinc/64/54/65/1268645465.db2.gz ALZLEJZLLYVVSB-FHWLQOOXSA-N 2 2 372.469 0.809 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553414798 1268647162 /nfs/dbraw/zinc/64/71/62/1268647162.db2.gz SIVXWAHBMJSTHR-WCXIOVBPSA-N 2 2 359.474 0.228 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)([NH+]2CCOCC2)C1 ZINC001553482493 1268658645 /nfs/dbraw/zinc/65/86/45/1268658645.db2.gz XNGWMILOBKTOTN-OBHHBEAMSA-N 2 2 352.479 0.389 20 0 FCADLP O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553548120 1268668121 /nfs/dbraw/zinc/66/81/21/1268668121.db2.gz IILXATFVDUBSBV-MSOLQXFVSA-N 2 2 358.490 0.734 20 0 FCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001553621010 1268671772 /nfs/dbraw/zinc/67/17/72/1268671772.db2.gz IMFOBGLFMKFGKT-ADHGMGHFSA-N 2 2 351.491 0.713 20 0 FCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001553621010 1268671780 /nfs/dbraw/zinc/67/17/80/1268671780.db2.gz IMFOBGLFMKFGKT-ADHGMGHFSA-N 2 2 351.491 0.713 20 0 FCADLP CC[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001340922521 1268710552 /nfs/dbraw/zinc/71/05/52/1268710552.db2.gz MIGUTUJVHUIADQ-BBWFWOEESA-N 2 2 368.522 0.722 20 0 FCADLP CC[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001340922521 1268710556 /nfs/dbraw/zinc/71/05/56/1268710556.db2.gz MIGUTUJVHUIADQ-BBWFWOEESA-N 2 2 368.522 0.722 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(C3CC[NH2+]CC3)o2)[C@H](C)C1 ZINC001341042071 1268756952 /nfs/dbraw/zinc/75/69/52/1268756952.db2.gz OVOCPEQALYVDEE-CYBMUJFWSA-N 2 2 364.446 0.851 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(C3CC[NH2+]CC3)o2)[C@H](C)C1 ZINC001341042071 1268756964 /nfs/dbraw/zinc/75/69/64/1268756964.db2.gz OVOCPEQALYVDEE-CYBMUJFWSA-N 2 2 364.446 0.851 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001341097468 1268782721 /nfs/dbraw/zinc/78/27/21/1268782721.db2.gz LZBJHQARBPCZGT-GVDBMIGSSA-N 2 2 364.494 0.790 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001341097468 1268782729 /nfs/dbraw/zinc/78/27/29/1268782729.db2.gz LZBJHQARBPCZGT-GVDBMIGSSA-N 2 2 364.494 0.790 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001341150332 1268808617 /nfs/dbraw/zinc/80/86/17/1268808617.db2.gz COTGTGYCOSOTKT-YQQAZPJKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001341150332 1268808635 /nfs/dbraw/zinc/80/86/35/1268808635.db2.gz COTGTGYCOSOTKT-YQQAZPJKSA-N 2 2 361.490 0.989 20 0 FCADLP Cn1c(C2CC[NH+](C)CC2)nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001341240372 1268884064 /nfs/dbraw/zinc/88/40/64/1268884064.db2.gz NQTPSXVZYUFNBR-UHFFFAOYSA-N 2 2 361.538 0.841 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001341633890 1269122893 /nfs/dbraw/zinc/12/28/93/1269122893.db2.gz JAPCCQSUONEQDE-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001558956724 1269155524 /nfs/dbraw/zinc/15/55/24/1269155524.db2.gz YNKLVYAFMIOSNH-PBHICJAKSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001580551335 1278485307 /nfs/dbraw/zinc/48/53/07/1278485307.db2.gz DPCUKDWRHUAOFY-SJORKVTESA-N 2 2 356.470 0.736 20 0 FCADLP O=C(C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001580551335 1278485313 /nfs/dbraw/zinc/48/53/13/1278485313.db2.gz DPCUKDWRHUAOFY-SJORKVTESA-N 2 2 356.470 0.736 20 0 FCADLP CC1=C(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Cn2nnnc2N1C ZINC001565696198 1269489171 /nfs/dbraw/zinc/48/91/71/1269489171.db2.gz NZUIMLQXCOFRNX-OAHLLOKOSA-N 2 2 374.493 0.024 20 0 FCADLP CC1=C(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Cn2nnnc2N1C ZINC001565696198 1269489175 /nfs/dbraw/zinc/48/91/75/1269489175.db2.gz NZUIMLQXCOFRNX-OAHLLOKOSA-N 2 2 374.493 0.024 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001566940924 1269668399 /nfs/dbraw/zinc/66/83/99/1269668399.db2.gz VFIDFVSUFPIPEF-RBSFLKMASA-N 2 2 368.503 0.919 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001566940924 1269668411 /nfs/dbraw/zinc/66/84/11/1269668411.db2.gz VFIDFVSUFPIPEF-RBSFLKMASA-N 2 2 368.503 0.919 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001343005584 1269725892 /nfs/dbraw/zinc/72/58/92/1269725892.db2.gz QVIIZYZJQNSAOU-CQSZACIVSA-N 2 2 360.524 0.089 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1OC ZINC001343013910 1269730648 /nfs/dbraw/zinc/73/06/48/1269730648.db2.gz JGMYEXNWTRNZJO-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1OC ZINC001343013910 1269730652 /nfs/dbraw/zinc/73/06/52/1269730652.db2.gz JGMYEXNWTRNZJO-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001343318261 1269856921 /nfs/dbraw/zinc/85/69/21/1269856921.db2.gz LQVCBBSXCATGAG-INIZCTEOSA-N 2 2 360.462 0.350 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001343318261 1269856939 /nfs/dbraw/zinc/85/69/39/1269856939.db2.gz LQVCBBSXCATGAG-INIZCTEOSA-N 2 2 360.462 0.350 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001343985923 1270068433 /nfs/dbraw/zinc/06/84/33/1270068433.db2.gz UXNYGEWKRXHNNQ-ZMSDIMECSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001343985923 1270068443 /nfs/dbraw/zinc/06/84/43/1270068443.db2.gz UXNYGEWKRXHNNQ-ZMSDIMECSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001343985923 1270068454 /nfs/dbraw/zinc/06/84/54/1270068454.db2.gz UXNYGEWKRXHNNQ-ZMSDIMECSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001343985923 1270068462 /nfs/dbraw/zinc/06/84/62/1270068462.db2.gz UXNYGEWKRXHNNQ-ZMSDIMECSA-N 2 2 361.490 0.989 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)CC1 ZINC001572790822 1270144450 /nfs/dbraw/zinc/14/44/50/1270144450.db2.gz RUBNSMHWFWUIQP-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001344418440 1270174632 /nfs/dbraw/zinc/17/46/32/1270174632.db2.gz CQSYHQGYGLTQPD-RBSFLKMASA-N 2 2 365.478 0.272 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001573067303 1270588748 /nfs/dbraw/zinc/58/87/48/1270588748.db2.gz YADHVANKQHPIBT-ZMSDIMECSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001573067303 1270588754 /nfs/dbraw/zinc/58/87/54/1270588754.db2.gz YADHVANKQHPIBT-ZMSDIMECSA-N 2 2 361.490 0.989 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC12CC[NH2+]CC2 ZINC001580635164 1278596960 /nfs/dbraw/zinc/59/69/60/1278596960.db2.gz LBUFSRIVJNYYAV-QGZVFWFLSA-N 2 2 354.520 0.732 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027439 1271005777 /nfs/dbraw/zinc/00/57/77/1271005777.db2.gz HVFCFKHSETXOEN-HUUCEWRRSA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027439 1271005784 /nfs/dbraw/zinc/00/57/84/1271005784.db2.gz HVFCFKHSETXOEN-HUUCEWRRSA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259874 1271129743 /nfs/dbraw/zinc/12/97/43/1271129743.db2.gz BKGJCTDURRGKGZ-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259874 1271129746 /nfs/dbraw/zinc/12/97/46/1271129746.db2.gz BKGJCTDURRGKGZ-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259874 1271129752 /nfs/dbraw/zinc/12/97/52/1271129752.db2.gz BKGJCTDURRGKGZ-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259874 1271129756 /nfs/dbraw/zinc/12/97/56/1271129756.db2.gz BKGJCTDURRGKGZ-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)N(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001574277818 1271154196 /nfs/dbraw/zinc/15/41/96/1271154196.db2.gz XQBDJHDKUGBMDN-UHFFFAOYSA-N 2 2 369.433 0.832 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574803216 1271541709 /nfs/dbraw/zinc/54/17/09/1271541709.db2.gz BKAHUOBDFWPTCG-LBPRGKRZSA-N 2 2 355.406 0.489 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574876405 1271632823 /nfs/dbraw/zinc/63/28/23/1271632823.db2.gz JEHDBRICFMYDCG-NWDGAFQWSA-N 2 2 367.417 0.059 20 0 FCADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC001575160435 1271757553 /nfs/dbraw/zinc/75/75/53/1271757553.db2.gz LJHWEQMDPSOOMY-GOSISDBHSA-N 2 2 355.479 0.664 20 0 FCADLP CC(C)(C)[C@@H](C[NH2+]CCc1cn[nH]n1)NC(=O)CC[NH+]1CCOCC1 ZINC001575257349 1271856939 /nfs/dbraw/zinc/85/69/39/1271856939.db2.gz QCPSSKXWCTYACQ-OAHLLOKOSA-N 2 2 352.483 0.190 20 0 FCADLP CC(C)(C)[C@@H](C[NH2+]CCc1c[nH]nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001575257349 1271856948 /nfs/dbraw/zinc/85/69/48/1271856948.db2.gz QCPSSKXWCTYACQ-OAHLLOKOSA-N 2 2 352.483 0.190 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276075 1271864353 /nfs/dbraw/zinc/86/43/53/1271864353.db2.gz ONHCIQVQEGEXMW-WMLDXEAASA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276075 1271864364 /nfs/dbraw/zinc/86/43/64/1271864364.db2.gz ONHCIQVQEGEXMW-WMLDXEAASA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@@H]2CC[N@@H+]2CCc2cn[nH]n2)C1 ZINC001575276075 1271864374 /nfs/dbraw/zinc/86/43/74/1271864374.db2.gz ONHCIQVQEGEXMW-WMLDXEAASA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@@H]2CC[N@H+]2CCc2cn[nH]n2)C1 ZINC001575276075 1271864381 /nfs/dbraw/zinc/86/43/81/1271864381.db2.gz ONHCIQVQEGEXMW-WMLDXEAASA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nn2)C1 ZINC001575296718 1271885960 /nfs/dbraw/zinc/88/59/60/1271885960.db2.gz XCICRSLKQVAYRT-LSDHHAIUSA-N 2 2 364.494 0.538 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn[nH]n2)C1 ZINC001575296718 1271885976 /nfs/dbraw/zinc/88/59/76/1271885976.db2.gz XCICRSLKQVAYRT-LSDHHAIUSA-N 2 2 364.494 0.538 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575387630 1272035724 /nfs/dbraw/zinc/03/57/24/1272035724.db2.gz VEKFAHXARTUDBZ-STQMWFEESA-N 2 2 354.418 0.746 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575390755 1272036819 /nfs/dbraw/zinc/03/68/19/1272036819.db2.gz DCYZSIFAUVQKFW-GHMZBOCLSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575402592 1272050995 /nfs/dbraw/zinc/05/09/95/1272050995.db2.gz TUWVNPFJABQYPK-QWHCGFSZSA-N 2 2 354.418 0.746 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575402290 1272051569 /nfs/dbraw/zinc/05/15/69/1272051569.db2.gz TUWVNPFJABQYPK-CHWSQXEVSA-N 2 2 354.418 0.746 20 0 FCADLP C[C@H](C[C@H](C)[NH2+]Cc1c[nH]nn1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575509472 1272173223 /nfs/dbraw/zinc/17/32/23/1272173223.db2.gz IGPDMJKCLRHHTD-UONOGXRCSA-N 2 2 352.483 0.536 20 0 FCADLP C[C@H](C[N@H+](C)CCc1c[nH]nn1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569033 1272207431 /nfs/dbraw/zinc/20/74/31/1272207431.db2.gz MDTNAIDWOANDEE-CYBMUJFWSA-N 2 2 354.418 0.678 20 0 FCADLP C[C@H](C[N@@H+](C)CCc1c[nH]nn1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569033 1272207444 /nfs/dbraw/zinc/20/74/44/1272207444.db2.gz MDTNAIDWOANDEE-CYBMUJFWSA-N 2 2 354.418 0.678 20 0 FCADLP C[C@H](C[N@H+](C)CCc1cn[nH]n1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569033 1272207467 /nfs/dbraw/zinc/20/74/67/1272207467.db2.gz MDTNAIDWOANDEE-CYBMUJFWSA-N 2 2 354.418 0.678 20 0 FCADLP C[C@H](C[N@@H+](C)CCc1cn[nH]n1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569033 1272207473 /nfs/dbraw/zinc/20/74/73/1272207473.db2.gz MDTNAIDWOANDEE-CYBMUJFWSA-N 2 2 354.418 0.678 20 0 FCADLP CC(C)[NH+](CCNC(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1)C(C)C ZINC001575690297 1272302189 /nfs/dbraw/zinc/30/21/89/1272302189.db2.gz GTUPAYPYDIKHEN-SFHVURJKSA-N 2 2 357.495 0.922 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575819930 1272478245 /nfs/dbraw/zinc/47/82/45/1272478245.db2.gz YKFIDXKJBCHMRX-INIZCTEOSA-N 2 2 372.458 0.906 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575819930 1272478251 /nfs/dbraw/zinc/47/82/51/1272478251.db2.gz YKFIDXKJBCHMRX-INIZCTEOSA-N 2 2 372.458 0.906 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2cnn[nH]2)CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576024220 1272727331 /nfs/dbraw/zinc/72/73/31/1272727331.db2.gz FEPGIWGDHMUYQA-WFASDCNBSA-N 2 2 359.434 0.781 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2c[nH]nn2)CCOCC1 ZINC001576070059 1272831751 /nfs/dbraw/zinc/83/17/51/1272831751.db2.gz BUWGXCDACCJDPJ-ZIAGYGMSSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576124381 1272919588 /nfs/dbraw/zinc/91/95/88/1272919588.db2.gz AFRCXTZNFONBHP-CHWSQXEVSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576124383 1272921266 /nfs/dbraw/zinc/92/12/66/1272921266.db2.gz AFRCXTZNFONBHP-QWHCGFSZSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001576201820 1272987507 /nfs/dbraw/zinc/98/75/07/1272987507.db2.gz YZLISXKYDYKUTE-HRCADAONSA-N 2 2 353.511 0.160 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001576201820 1272987511 /nfs/dbraw/zinc/98/75/11/1272987511.db2.gz YZLISXKYDYKUTE-HRCADAONSA-N 2 2 353.511 0.160 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576255367 1273039178 /nfs/dbraw/zinc/03/91/78/1273039178.db2.gz JOPVBDPDTSZWCT-DOMZBBRYSA-N 2 2 356.434 0.038 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576259382 1273048022 /nfs/dbraw/zinc/04/80/22/1273048022.db2.gz FZQZJHUFINSREP-WBMJQRKESA-N 2 2 366.429 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576269930 1273066509 /nfs/dbraw/zinc/06/65/09/1273066509.db2.gz AVJRMJKHXHEOFZ-TZMCWYRMSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576270202 1273068382 /nfs/dbraw/zinc/06/83/82/1273068382.db2.gz FLARLHBEPXEGMO-SWLSCSKDSA-N 2 2 366.429 0.769 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491253 1273344888 /nfs/dbraw/zinc/34/48/88/1273344888.db2.gz WECJTCVBMMUXML-UKRRQHHQSA-N 2 2 372.477 0.887 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC001576493369 1273351604 /nfs/dbraw/zinc/35/16/04/1273351604.db2.gz ZUSJRIJQONDDJQ-MRXNPFEDSA-N 2 2 357.462 0.851 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498590 1273357658 /nfs/dbraw/zinc/35/76/58/1273357658.db2.gz LTUUEXQGKUXYRN-OCCSQVGLSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501813 1273368843 /nfs/dbraw/zinc/36/88/43/1273368843.db2.gz YMMVGSQYCNUIEH-ZFWWWQNUSA-N 2 2 372.477 0.935 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557709 1273436575 /nfs/dbraw/zinc/43/65/75/1273436575.db2.gz SVAFHPXPQDDIJM-RDJZCZTQSA-N 2 2 350.467 0.122 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557709 1273436577 /nfs/dbraw/zinc/43/65/77/1273436577.db2.gz SVAFHPXPQDDIJM-RDJZCZTQSA-N 2 2 350.467 0.122 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CCC([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576558116 1273439741 /nfs/dbraw/zinc/43/97/41/1273439741.db2.gz WAGVMEWDUNKGSQ-BDVYOWHSSA-N 2 2 364.494 0.427 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CCC([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576558116 1273439746 /nfs/dbraw/zinc/43/97/46/1273439746.db2.gz WAGVMEWDUNKGSQ-BDVYOWHSSA-N 2 2 364.494 0.427 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CCC([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576558116 1273439750 /nfs/dbraw/zinc/43/97/50/1273439750.db2.gz WAGVMEWDUNKGSQ-BDVYOWHSSA-N 2 2 364.494 0.427 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CCC([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576558116 1273439756 /nfs/dbraw/zinc/43/97/56/1273439756.db2.gz WAGVMEWDUNKGSQ-BDVYOWHSSA-N 2 2 364.494 0.427 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)C1CC([NH2+]CCc2cn[nH]n2)C1 ZINC001576721148 1273590535 /nfs/dbraw/zinc/59/05/35/1273590535.db2.gz UHLSUWFEQNPPDH-UHFFFAOYSA-N 2 2 364.494 0.429 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)C1CC([NH2+]CCc2c[nH]nn2)C1 ZINC001576721148 1273590542 /nfs/dbraw/zinc/59/05/42/1273590542.db2.gz UHLSUWFEQNPPDH-UHFFFAOYSA-N 2 2 364.494 0.429 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2c[nH]nn2)CC1 ZINC001576751381 1273622136 /nfs/dbraw/zinc/62/21/36/1273622136.db2.gz FUQFTFZWMAUWHV-AEFFLSMTSA-N 2 2 364.494 0.632 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cn[nH]n2)CC1 ZINC001576751381 1273622145 /nfs/dbraw/zinc/62/21/45/1273622145.db2.gz FUQFTFZWMAUWHV-AEFFLSMTSA-N 2 2 364.494 0.632 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560394 1274507429 /nfs/dbraw/zinc/50/74/29/1274507429.db2.gz DJRUKMPKMMDSRP-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560394 1274507433 /nfs/dbraw/zinc/50/74/33/1274507433.db2.gz DJRUKMPKMMDSRP-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560394 1274507441 /nfs/dbraw/zinc/50/74/41/1274507441.db2.gz DJRUKMPKMMDSRP-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560394 1274507447 /nfs/dbraw/zinc/50/74/47/1274507447.db2.gz DJRUKMPKMMDSRP-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577562653 1274513830 /nfs/dbraw/zinc/51/38/30/1274513830.db2.gz DSFAVCHMORSREK-ZIAGYGMSSA-N 2 2 372.477 0.792 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577562653 1274513833 /nfs/dbraw/zinc/51/38/33/1274513833.db2.gz DSFAVCHMORSREK-ZIAGYGMSSA-N 2 2 372.477 0.792 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895543 1275105728 /nfs/dbraw/zinc/10/57/28/1275105728.db2.gz JGFTYRKHKYMNHH-CQSZACIVSA-N 2 2 372.477 0.936 20 0 FCADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951940 1275173280 /nfs/dbraw/zinc/17/32/80/1275173280.db2.gz FOXUHKMAYSJDHF-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951940 1275173283 /nfs/dbraw/zinc/17/32/83/1275173283.db2.gz FOXUHKMAYSJDHF-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951940 1275173287 /nfs/dbraw/zinc/17/32/87/1275173287.db2.gz FOXUHKMAYSJDHF-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951940 1275173291 /nfs/dbraw/zinc/17/32/91/1275173291.db2.gz FOXUHKMAYSJDHF-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccccc1-c1nn[nH]n1 ZINC001578036885 1275316306 /nfs/dbraw/zinc/31/63/06/1275316306.db2.gz FBZOZPRWPLLCLR-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccccc1-c1nn[nH]n1 ZINC001578036885 1275316313 /nfs/dbraw/zinc/31/63/13/1275316313.db2.gz FBZOZPRWPLLCLR-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001578197055 1275485169 /nfs/dbraw/zinc/48/51/69/1275485169.db2.gz FRNFPYCLWITMPS-UONOGXRCSA-N 2 2 372.477 0.935 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001578197055 1275485172 /nfs/dbraw/zinc/48/51/72/1275485172.db2.gz FRNFPYCLWITMPS-UONOGXRCSA-N 2 2 372.477 0.935 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578524252 1275957731 /nfs/dbraw/zinc/95/77/31/1275957731.db2.gz CANAKPXTURPFKE-OKZBNKHCSA-N 3 2 352.523 0.770 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578524252 1275957734 /nfs/dbraw/zinc/95/77/34/1275957734.db2.gz CANAKPXTURPFKE-OKZBNKHCSA-N 3 2 352.523 0.770 20 0 FCADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](CCO)C2)[C@@H]1c1ccc(F)cc1 ZINC001578525024 1275958000 /nfs/dbraw/zinc/95/80/00/1275958000.db2.gz MKKPSQVPXBTPML-ULQDDVLXSA-N 2 2 350.438 0.937 20 0 FCADLP C[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](CCO)C2)[C@@H]1c1ccc(F)cc1 ZINC001578525024 1275958006 /nfs/dbraw/zinc/95/80/06/1275958006.db2.gz MKKPSQVPXBTPML-ULQDDVLXSA-N 2 2 350.438 0.937 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529450 1275960915 /nfs/dbraw/zinc/96/09/15/1275960915.db2.gz VCXYBKIZVHTCRQ-IYOUNJFTSA-N 2 2 353.463 0.382 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529450 1275960922 /nfs/dbraw/zinc/96/09/22/1275960922.db2.gz VCXYBKIZVHTCRQ-IYOUNJFTSA-N 2 2 353.463 0.382 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532674 1275963340 /nfs/dbraw/zinc/96/33/40/1275963340.db2.gz RCWWSTPBQQVHQL-KBPBESRZSA-N 2 2 355.483 0.574 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532674 1275963345 /nfs/dbraw/zinc/96/33/45/1275963345.db2.gz RCWWSTPBQQVHQL-KBPBESRZSA-N 2 2 355.483 0.574 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532676 1275963983 /nfs/dbraw/zinc/96/39/83/1275963983.db2.gz RCWWSTPBQQVHQL-UONOGXRCSA-N 2 2 355.483 0.574 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532676 1275963989 /nfs/dbraw/zinc/96/39/89/1275963989.db2.gz RCWWSTPBQQVHQL-UONOGXRCSA-N 2 2 355.483 0.574 20 0 FCADLP COC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001578804803 1276293859 /nfs/dbraw/zinc/29/38/59/1276293859.db2.gz FDOFDNNPRFRHMJ-RDTXWAMCSA-N 2 2 356.463 0.962 20 0 FCADLP COC(=O)CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001578804803 1276293863 /nfs/dbraw/zinc/29/38/63/1276293863.db2.gz FDOFDNNPRFRHMJ-RDTXWAMCSA-N 2 2 356.463 0.962 20 0 FCADLP CN(C(=O)C[NH+]1CCCC1)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578875887 1276404402 /nfs/dbraw/zinc/40/44/02/1276404402.db2.gz FCIGPPULSONGFO-MRXNPFEDSA-N 2 2 370.461 0.428 20 0 FCADLP CN(C(=O)CCn1cc[nH+]c1)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578876416 1276405050 /nfs/dbraw/zinc/40/50/50/1276405050.db2.gz YHMNNGLVHCCJKY-UHFFFAOYSA-N 2 2 367.417 0.372 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578883616 1276413838 /nfs/dbraw/zinc/41/38/38/1276413838.db2.gz SKMZVTZXXKPBRQ-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578883616 1276413842 /nfs/dbraw/zinc/41/38/42/1276413842.db2.gz SKMZVTZXXKPBRQ-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578886686 1276419755 /nfs/dbraw/zinc/41/97/55/1276419755.db2.gz BPJRTNPXVBZHIG-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578886686 1276419757 /nfs/dbraw/zinc/41/97/57/1276419757.db2.gz BPJRTNPXVBZHIG-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578987034 1276554553 /nfs/dbraw/zinc/55/45/53/1276554553.db2.gz COTDQOGPTROLDU-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578987034 1276554557 /nfs/dbraw/zinc/55/45/57/1276554557.db2.gz COTDQOGPTROLDU-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578986999 1276555250 /nfs/dbraw/zinc/55/52/50/1276555250.db2.gz BTPKXOQRPURFHS-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578986999 1276555254 /nfs/dbraw/zinc/55/52/54/1276555254.db2.gz BTPKXOQRPURFHS-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579005059 1276575712 /nfs/dbraw/zinc/57/57/12/1276575712.db2.gz YZLJGGHICNMHJP-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579005059 1276575719 /nfs/dbraw/zinc/57/57/19/1276575719.db2.gz YZLJGGHICNMHJP-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP C[N@H+](CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579006427 1276576231 /nfs/dbraw/zinc/57/62/31/1276576231.db2.gz AWYISHICYLIMTD-UHFFFAOYSA-N 2 2 370.461 0.785 20 0 FCADLP C[N@@H+](CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579006427 1276576234 /nfs/dbraw/zinc/57/62/34/1276576234.db2.gz AWYISHICYLIMTD-UHFFFAOYSA-N 2 2 370.461 0.785 20 0 FCADLP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCn1cc[nH+]c1 ZINC001579115245 1276780328 /nfs/dbraw/zinc/78/03/28/1276780328.db2.gz CNMMICLGIAGQQH-UHFFFAOYSA-N 2 2 369.433 0.833 20 0 FCADLP CN(CCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579127649 1276809856 /nfs/dbraw/zinc/80/98/56/1276809856.db2.gz WESZLCYDXYDVKI-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001579132022 1276824777 /nfs/dbraw/zinc/82/47/77/1276824777.db2.gz JKTSCMRADYOVAN-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001579132022 1276824789 /nfs/dbraw/zinc/82/47/89/1276824789.db2.gz JKTSCMRADYOVAN-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579132022 1276824801 /nfs/dbraw/zinc/82/48/01/1276824801.db2.gz JKTSCMRADYOVAN-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579132022 1276824813 /nfs/dbraw/zinc/82/48/13/1276824813.db2.gz JKTSCMRADYOVAN-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCc1c[nH+]cn1C ZINC001579150664 1276886974 /nfs/dbraw/zinc/88/69/74/1276886974.db2.gz HWYAVPHIBAEXAT-UHFFFAOYSA-N 2 2 369.433 0.523 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579250233 1277049986 /nfs/dbraw/zinc/04/99/86/1277049986.db2.gz RTVWLNRETPXYJM-GFCCVEGCSA-N 2 2 372.458 0.858 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579250233 1277049987 /nfs/dbraw/zinc/04/99/87/1277049987.db2.gz RTVWLNRETPXYJM-GFCCVEGCSA-N 2 2 372.458 0.858 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579285210 1277105836 /nfs/dbraw/zinc/10/58/36/1277105836.db2.gz SGWAVDNBVWAZRA-GFCCVEGCSA-N 2 2 353.390 0.196 20 0 FCADLP COc1cc[nH+]cc1Cn1c(-c2cnccn2)nnc1N1CC[C@H]([NH3+])C1 ZINC001579319986 1277135373 /nfs/dbraw/zinc/13/53/73/1277135373.db2.gz ZRVOPBXXYFCECR-ZDUSSCGKSA-N 2 2 352.402 0.724 20 0 FCADLP CN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579322960 1277137437 /nfs/dbraw/zinc/13/74/37/1277137437.db2.gz MDEJITCTJLUKQV-UHFFFAOYSA-N 2 2 369.473 0.851 20 0 FCADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323332 1277139443 /nfs/dbraw/zinc/13/94/43/1277139443.db2.gz SMJNQHHBKWYUIQ-OAHLLOKOSA-N 2 2 355.446 0.461 20 0 FCADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323332 1277139446 /nfs/dbraw/zinc/13/94/46/1277139446.db2.gz SMJNQHHBKWYUIQ-OAHLLOKOSA-N 2 2 355.446 0.461 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333902 1277169484 /nfs/dbraw/zinc/16/94/84/1277169484.db2.gz AKZRVYBVPYBZSI-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333902 1277169489 /nfs/dbraw/zinc/16/94/89/1277169489.db2.gz AKZRVYBVPYBZSI-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333902 1277169492 /nfs/dbraw/zinc/16/94/92/1277169492.db2.gz AKZRVYBVPYBZSI-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333902 1277169495 /nfs/dbraw/zinc/16/94/95/1277169495.db2.gz AKZRVYBVPYBZSI-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579342656 1277189874 /nfs/dbraw/zinc/18/98/74/1277189874.db2.gz BCEKRTZUCUEANP-CQSZACIVSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579342656 1277189888 /nfs/dbraw/zinc/18/98/88/1277189888.db2.gz BCEKRTZUCUEANP-CQSZACIVSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353150 1277212201 /nfs/dbraw/zinc/21/22/01/1277212201.db2.gz FDIBJRUYCUINHW-ZENOOKHLSA-N 2 2 368.445 0.536 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353150 1277212204 /nfs/dbraw/zinc/21/22/04/1277212204.db2.gz FDIBJRUYCUINHW-ZENOOKHLSA-N 2 2 368.445 0.536 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366807 1277247347 /nfs/dbraw/zinc/24/73/47/1277247347.db2.gz HLOKMQOVBFJHFK-CJNGLKHVSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366807 1277247350 /nfs/dbraw/zinc/24/73/50/1277247350.db2.gz HLOKMQOVBFJHFK-CJNGLKHVSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372037 1277253110 /nfs/dbraw/zinc/25/31/10/1277253110.db2.gz VKTKVOHJWBNAGK-HUBLWGQQSA-N 2 2 356.434 0.227 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372037 1277253164 /nfs/dbraw/zinc/25/31/64/1277253164.db2.gz VKTKVOHJWBNAGK-HUBLWGQQSA-N 2 2 356.434 0.227 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579372085 1277253327 /nfs/dbraw/zinc/25/33/27/1277253327.db2.gz DZGYQBMWWHKBOP-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579372085 1277253330 /nfs/dbraw/zinc/25/33/30/1277253330.db2.gz DZGYQBMWWHKBOP-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001579372278 1277256181 /nfs/dbraw/zinc/25/61/81/1277256181.db2.gz ONYIYEIKRHDTID-OAHLLOKOSA-N 2 2 373.436 0.838 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001579372278 1277256189 /nfs/dbraw/zinc/25/61/89/1277256189.db2.gz ONYIYEIKRHDTID-OAHLLOKOSA-N 2 2 373.436 0.838 20 0 FCADLP COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1-c1nn[nH]n1 ZINC001580014797 1277990833 /nfs/dbraw/zinc/99/08/33/1277990833.db2.gz JUGMQYMQQGPKEZ-NSHDSACASA-N 2 2 370.417 0.435 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001580269960 1278062756 /nfs/dbraw/zinc/06/27/56/1278062756.db2.gz CHYKHFHFIOSHKP-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1C[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001580858473 1279053708 /nfs/dbraw/zinc/05/37/08/1279053708.db2.gz KBTDUKQYEOEHMW-GOSISDBHSA-N 2 2 355.398 0.020 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001580970579 1279171460 /nfs/dbraw/zinc/17/14/60/1279171460.db2.gz RPVBYWITLLQCGT-UHFFFAOYSA-N 2 2 367.417 0.493 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580992890 1279198146 /nfs/dbraw/zinc/19/81/46/1279198146.db2.gz AYBWDMUIAWLIGG-LLVKDONJSA-N 2 2 369.433 0.525 20 0 FCADLP Cc1cc(N[C@H](C)CNC(=O)CCc2[nH+]ccn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995436 1279206000 /nfs/dbraw/zinc/20/60/00/1279206000.db2.gz HNWUVXVQZDPIET-GFCCVEGCSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1cc(N[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007871 1279227539 /nfs/dbraw/zinc/22/75/39/1279227539.db2.gz CTQVBDYMHPUOFV-ABAIWWIYSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1cc(NCC[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024560 1279256253 /nfs/dbraw/zinc/25/62/53/1279256253.db2.gz CVVXGEJPOCBJCS-GFCCVEGCSA-N 2 2 369.433 0.586 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581031907 1279269549 /nfs/dbraw/zinc/26/95/49/1279269549.db2.gz MZRWSADWBJLUJF-NSHDSACASA-N 2 2 355.406 0.114 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001581255047 1279528301 /nfs/dbraw/zinc/52/83/01/1279528301.db2.gz QSJSPCWUEKFYJH-BZUAXINKSA-N 2 2 370.457 0.836 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603318522 1287354602 /nfs/dbraw/zinc/35/46/02/1287354602.db2.gz QAQBFRYDXKCWSN-XPKDYRNWSA-N 2 2 370.461 0.828 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603318522 1287354608 /nfs/dbraw/zinc/35/46/08/1287354608.db2.gz QAQBFRYDXKCWSN-XPKDYRNWSA-N 2 2 370.461 0.828 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340601 1279722491 /nfs/dbraw/zinc/72/24/91/1279722491.db2.gz SESPFWHDGQSLNL-RYUDHWBXSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581563321 1280139410 /nfs/dbraw/zinc/13/94/10/1280139410.db2.gz KXDPRNOENGCZIJ-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581563321 1280139414 /nfs/dbraw/zinc/13/94/14/1280139414.db2.gz KXDPRNOENGCZIJ-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530391 1287408711 /nfs/dbraw/zinc/40/87/11/1287408711.db2.gz ZFGHEFYMDQRSED-NWDGAFQWSA-N 2 2 367.417 0.059 20 0 FCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001603662270 1287461021 /nfs/dbraw/zinc/46/10/21/1287461021.db2.gz JFTIALWEVOYSPV-ABAIWWIYSA-N 2 2 361.425 0.996 20 0 FCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001603662270 1287461023 /nfs/dbraw/zinc/46/10/23/1287461023.db2.gz JFTIALWEVOYSPV-ABAIWWIYSA-N 2 2 361.425 0.996 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582089880 1281045667 /nfs/dbraw/zinc/04/56/67/1281045667.db2.gz CHWMXASFBHGELD-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582089880 1281045672 /nfs/dbraw/zinc/04/56/72/1281045672.db2.gz CHWMXASFBHGELD-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582100854 1281058033 /nfs/dbraw/zinc/05/80/33/1281058033.db2.gz RIBQMADZLNBUJF-MRXNPFEDSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582100854 1281058036 /nfs/dbraw/zinc/05/80/36/1281058036.db2.gz RIBQMADZLNBUJF-MRXNPFEDSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582169056 1281133895 /nfs/dbraw/zinc/13/38/95/1281133895.db2.gz BGUDRNIWPBRIKR-INIZCTEOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582169915 1281137362 /nfs/dbraw/zinc/13/73/62/1281137362.db2.gz IIZZUZVERHZQAN-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582195229 1281175008 /nfs/dbraw/zinc/17/50/08/1281175008.db2.gz PYUKJMABDUNNLF-LLVKDONJSA-N 2 2 358.431 0.515 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001582195295 1281175723 /nfs/dbraw/zinc/17/57/23/1281175723.db2.gz SINCJSZIGZSAOH-SWLSCSKDSA-N 2 2 365.401 0.196 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001582196474 1281176430 /nfs/dbraw/zinc/17/64/30/1281176430.db2.gz LLAZBFZNDGGXSQ-UHFFFAOYSA-N 2 2 370.392 0.641 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001582196625 1281179516 /nfs/dbraw/zinc/17/95/16/1281179516.db2.gz PVXRATLNSRLAIW-UHFFFAOYSA-N 2 2 353.390 0.031 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582196960 1281181159 /nfs/dbraw/zinc/18/11/59/1281181159.db2.gz YWCXCEWGVNSOCQ-STQMWFEESA-N 2 2 367.417 0.420 20 0 FCADLP CN(C(=O)c1cn(-c2cccnc2)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585744752 1282241457 /nfs/dbraw/zinc/24/14/57/1282241457.db2.gz NCHCBWJXMFPFMH-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1cn(-c2cccnc2)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585744752 1282241465 /nfs/dbraw/zinc/24/14/65/1282241465.db2.gz NCHCBWJXMFPFMH-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001589828635 1283068728 /nfs/dbraw/zinc/06/87/28/1283068728.db2.gz FRJYEOMGRLQNKG-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589913097 1283121730 /nfs/dbraw/zinc/12/17/30/1283121730.db2.gz MLUNOMJKCJMTCZ-KBPBESRZSA-N 2 2 372.477 0.820 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589954733 1283146633 /nfs/dbraw/zinc/14/66/33/1283146633.db2.gz ICHQBXNPLOPLMR-GOEBONIOSA-N 2 2 372.477 0.319 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590174118 1283278752 /nfs/dbraw/zinc/27/87/52/1283278752.db2.gz PLUSFLQNVRFANU-DOMZBBRYSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590205214 1283325197 /nfs/dbraw/zinc/32/51/97/1283325197.db2.gz FIAXVHDFBIFLNN-JSGCOSHPSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[N@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307484 1283449405 /nfs/dbraw/zinc/44/94/05/1283449405.db2.gz NDLPCCRLNGEMCI-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307484 1283449410 /nfs/dbraw/zinc/44/94/10/1283449410.db2.gz NDLPCCRLNGEMCI-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(-c4nn[nH]n4)cnn3)CC2)CC1 ZINC001590730143 1283758150 /nfs/dbraw/zinc/75/81/50/1283758150.db2.gz XFZLFJGTIYVZJN-UHFFFAOYSA-N 2 2 357.466 0.653 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(-c4nn[nH]n4)cnn3)CC2)CC1 ZINC001590730143 1283758158 /nfs/dbraw/zinc/75/81/58/1283758158.db2.gz XFZLFJGTIYVZJN-UHFFFAOYSA-N 2 2 357.466 0.653 20 0 FCADLP CN(CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001591081066 1284149678 /nfs/dbraw/zinc/14/96/78/1284149678.db2.gz INMPVCUYZAQNJG-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186997 1284299589 /nfs/dbraw/zinc/29/95/89/1284299589.db2.gz ATXSZPCKPPFXPO-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186997 1284299601 /nfs/dbraw/zinc/29/96/01/1284299601.db2.gz ATXSZPCKPPFXPO-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186997 1284299611 /nfs/dbraw/zinc/29/96/11/1284299611.db2.gz ATXSZPCKPPFXPO-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186997 1284299622 /nfs/dbraw/zinc/29/96/22/1284299622.db2.gz ATXSZPCKPPFXPO-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001591187533 1284302323 /nfs/dbraw/zinc/30/23/23/1284302323.db2.gz YBDIIXDLNULLNE-MRXNPFEDSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001591187533 1284302335 /nfs/dbraw/zinc/30/23/35/1284302335.db2.gz YBDIIXDLNULLNE-MRXNPFEDSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001604680958 1287728076 /nfs/dbraw/zinc/72/80/76/1287728076.db2.gz SODPLMVVZGMRGV-GOSISDBHSA-N 2 2 373.461 0.584 20 0 FCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001604680958 1287728083 /nfs/dbraw/zinc/72/80/83/1287728083.db2.gz SODPLMVVZGMRGV-GOSISDBHSA-N 2 2 373.461 0.584 20 0 FCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 ZINC001591723160 1284856933 /nfs/dbraw/zinc/85/69/33/1284856933.db2.gz PBXZNHSIQSWNIN-LBPRGKRZSA-N 2 2 361.450 0.574 20 0 FCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(O)cc(-c2nn[nH]n2)c1 ZINC001591723160 1284856943 /nfs/dbraw/zinc/85/69/43/1284856943.db2.gz PBXZNHSIQSWNIN-LBPRGKRZSA-N 2 2 361.450 0.574 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592419536 1285343726 /nfs/dbraw/zinc/34/37/26/1285343726.db2.gz KVWFASSCSXDDDJ-OAHLLOKOSA-N 2 2 352.402 0.375 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001592741802 1285661047 /nfs/dbraw/zinc/66/10/47/1285661047.db2.gz QITFHJRJIXRMTB-UHFFFAOYSA-N 2 2 370.461 0.578 20 0 FCADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001702485740 1285692783 /nfs/dbraw/zinc/69/27/83/1285692783.db2.gz GMABZYSQWCXLEX-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001702485740 1285692790 /nfs/dbraw/zinc/69/27/90/1285692790.db2.gz GMABZYSQWCXLEX-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[NH2+]C[C@@H]1C(F)F ZINC001592785905 1285711818 /nfs/dbraw/zinc/71/18/18/1285711818.db2.gz BCUFWCHJEGDYME-OLZOCXBDSA-N 2 2 363.372 0.119 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCn2c[nH+]cc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504733 1286184509 /nfs/dbraw/zinc/18/45/09/1286184509.db2.gz MFTADTVHCCXKPC-ZFWWWQNUSA-N 2 2 355.402 0.408 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC001600755371 1286539343 /nfs/dbraw/zinc/53/93/43/1286539343.db2.gz QREXPRQMBZLGMI-PBHICJAKSA-N 2 2 360.462 0.856 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC001600755371 1286539344 /nfs/dbraw/zinc/53/93/44/1286539344.db2.gz QREXPRQMBZLGMI-PBHICJAKSA-N 2 2 360.462 0.856 20 0 FCADLP Cc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001609388536 1289133121 /nfs/dbraw/zinc/13/31/21/1289133121.db2.gz ZCSREZHCXUAVJF-KRWDZBQOSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001609388536 1289133122 /nfs/dbraw/zinc/13/31/22/1289133122.db2.gz ZCSREZHCXUAVJF-KRWDZBQOSA-N 2 2 369.473 0.914 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OC ZINC001719239367 1287927845 /nfs/dbraw/zinc/92/78/45/1287927845.db2.gz WSDRQSDNSYBIOE-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OC ZINC001719239367 1287927847 /nfs/dbraw/zinc/92/78/47/1287927847.db2.gz WSDRQSDNSYBIOE-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001606436549 1288317136 /nfs/dbraw/zinc/31/71/36/1288317136.db2.gz FPQSRQGKDZPXIR-UHFFFAOYSA-N 2 2 362.413 0.228 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001722102674 1288405621 /nfs/dbraw/zinc/40/56/21/1288405621.db2.gz HCDZQAPDNVSSEW-BZUAXINKSA-N 2 2 371.485 0.630 20 0 FCADLP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725992054 1288484801 /nfs/dbraw/zinc/48/48/01/1288484801.db2.gz VXHDAVVJESMXES-NUEKZKHPSA-N 2 2 361.490 0.829 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(=O)N1CCCCC1 ZINC001732359807 1288581749 /nfs/dbraw/zinc/58/17/49/1288581749.db2.gz GGQWZKXSAZAVIF-BZUAXINKSA-N 2 2 361.490 0.878 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCN2CCCC2=O)CCC1 ZINC001733723150 1288626279 /nfs/dbraw/zinc/62/62/79/1288626279.db2.gz CSJRIMBDGDTZKD-HUUCEWRRSA-N 2 2 359.474 0.775 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1Cc2c[nH+]cn2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001607057279 1288626709 /nfs/dbraw/zinc/62/67/09/1288626709.db2.gz GGOUDHFEGPXYNM-LBPRGKRZSA-N 2 2 359.415 0.051 20 0 FCADLP CC(C)([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609084730 1288909402 /nfs/dbraw/zinc/90/94/02/1288909402.db2.gz YGSIBOQMHKVJAN-UHFFFAOYSA-N 2 2 358.450 0.431 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001609592216 1289250661 /nfs/dbraw/zinc/25/06/61/1289250661.db2.gz WLUCTTBPIZZHQN-GFCCVEGCSA-N 2 2 373.442 0.511 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691889897 1289335338 /nfs/dbraw/zinc/33/53/38/1289335338.db2.gz MUUNLBJCXROQJU-HRCADAONSA-N 2 2 361.490 0.845 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001691921697 1289343736 /nfs/dbraw/zinc/34/37/36/1289343736.db2.gz MXKKLGQVKGPWRJ-BFHYXJOUSA-N 2 2 354.476 0.261 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001691922579 1289343786 /nfs/dbraw/zinc/34/37/86/1289343786.db2.gz YORWSKJYLIWJPT-HZSPNIEDSA-N 2 2 356.492 0.507 20 0 FCADLP C[C@H](C[NH2+]CC(=O)NCc1cccs1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699366620 1289551256 /nfs/dbraw/zinc/55/12/56/1289551256.db2.gz QPHGZTNNWNNACL-MRVWCRGKSA-N 2 2 361.471 0.985 20 0 FCADLP Cc1nc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)oc1C ZINC001699897273 1289570796 /nfs/dbraw/zinc/57/07/96/1289570796.db2.gz FKGOQQMIHJMOIR-SIIHOXLZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)oc1C ZINC001699897273 1289570805 /nfs/dbraw/zinc/57/08/05/1289570805.db2.gz FKGOQQMIHJMOIR-SIIHOXLZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)oc1C ZINC001699897273 1289570814 /nfs/dbraw/zinc/57/08/14/1289570814.db2.gz FKGOQQMIHJMOIR-SIIHOXLZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)oc1C ZINC001699897273 1289570822 /nfs/dbraw/zinc/57/08/22/1289570822.db2.gz FKGOQQMIHJMOIR-SIIHOXLZSA-N 2 2 350.463 0.685 20 0 FCADLP Nc1nc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc2ccccc12 ZINC001616707746 1289788801 /nfs/dbraw/zinc/78/88/01/1289788801.db2.gz IPJPMSSVPPXJBN-UHFFFAOYSA-N 2 2 357.458 0.871 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(=O)N3CCC(O)CC3)C2)CC1 ZINC001616890439 1289798071 /nfs/dbraw/zinc/79/80/71/1289798071.db2.gz NLISNMAULYIVRO-HNNXBMFYSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(=O)N3CCC(O)CC3)C2)CC1 ZINC001616890439 1289798080 /nfs/dbraw/zinc/79/80/80/1289798080.db2.gz NLISNMAULYIVRO-HNNXBMFYSA-N 2 2 366.506 0.035 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001702319806 1290037973 /nfs/dbraw/zinc/03/79/73/1290037973.db2.gz APLIBDCQSAWWOX-BZUAXINKSA-N 2 2 365.478 0.518 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001702319806 1290037985 /nfs/dbraw/zinc/03/79/85/1290037985.db2.gz APLIBDCQSAWWOX-BZUAXINKSA-N 2 2 365.478 0.518 20 0 FCADLP Cc1ncccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001754891525 1290636970 /nfs/dbraw/zinc/63/69/70/1290636970.db2.gz RELLXCKLKDBTGP-IAGOWNOFSA-N 2 2 357.458 0.838 20 0 FCADLP CC[NH+](CC)CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC001630846234 1290705136 /nfs/dbraw/zinc/70/51/36/1290705136.db2.gz MQTWXXYCYYJFFG-AWEZNQCLSA-N 2 2 356.492 0.320 20 0 FCADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001646036588 1291056513 /nfs/dbraw/zinc/05/65/13/1291056513.db2.gz BNEXAERHFYUUPK-UHFFFAOYSA-N 2 2 370.519 0.313 20 0 FCADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)NCC(F)(F)F ZINC001656155815 1291499117 /nfs/dbraw/zinc/49/91/17/1291499117.db2.gz XPQDUMZWMNZDAC-NSHDSACASA-N 2 2 360.384 0.385 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nn1 ZINC001658586722 1291627668 /nfs/dbraw/zinc/62/76/68/1291627668.db2.gz WPDKONBXRCSVCD-SFHVURJKSA-N 2 2 373.457 0.698 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nn1 ZINC001658586722 1291627676 /nfs/dbraw/zinc/62/76/76/1291627676.db2.gz WPDKONBXRCSVCD-SFHVURJKSA-N 2 2 373.457 0.698 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCNC(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@@H+]1C ZINC001688497584 1294501062 /nfs/dbraw/zinc/50/10/62/1294501062.db2.gz XWZUKEJSPYHWKM-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCNC(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@H+]1C ZINC001688497584 1294501068 /nfs/dbraw/zinc/50/10/68/1294501068.db2.gz XWZUKEJSPYHWKM-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001689010385 1294566408 /nfs/dbraw/zinc/56/64/08/1294566408.db2.gz NKOFAQGHARLNKE-BFHYXJOUSA-N 2 2 354.476 0.261 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001689094986 1294614391 /nfs/dbraw/zinc/61/43/91/1294614391.db2.gz LDJZXYANGOAJMA-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001689094986 1294614400 /nfs/dbraw/zinc/61/44/00/1294614400.db2.gz LDJZXYANGOAJMA-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174934 1294637404 /nfs/dbraw/zinc/63/74/04/1294637404.db2.gz AYPRMLNWSUZEQR-MJBXVCDLSA-N 2 2 353.467 0.025 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174934 1294637410 /nfs/dbraw/zinc/63/74/10/1294637410.db2.gz AYPRMLNWSUZEQR-MJBXVCDLSA-N 2 2 353.467 0.025 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174934 1294637419 /nfs/dbraw/zinc/63/74/19/1294637419.db2.gz AYPRMLNWSUZEQR-MJBXVCDLSA-N 2 2 353.467 0.025 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174934 1294637427 /nfs/dbraw/zinc/63/74/27/1294637427.db2.gz AYPRMLNWSUZEQR-MJBXVCDLSA-N 2 2 353.467 0.025 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)nn1C ZINC001689325299 1294751145 /nfs/dbraw/zinc/75/11/45/1294751145.db2.gz LGYDSENYSJVMAH-QAPCUYQASA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)nn1C ZINC001689325299 1294751148 /nfs/dbraw/zinc/75/11/48/1294751148.db2.gz LGYDSENYSJVMAH-QAPCUYQASA-N 2 2 363.506 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336420 1294759511 /nfs/dbraw/zinc/75/95/11/1294759511.db2.gz NOCNZYFPPKBNTO-ILXRZTDVSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336420 1294759519 /nfs/dbraw/zinc/75/95/19/1294759519.db2.gz NOCNZYFPPKBNTO-ILXRZTDVSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336420 1294759527 /nfs/dbraw/zinc/75/95/27/1294759527.db2.gz NOCNZYFPPKBNTO-ILXRZTDVSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336420 1294759533 /nfs/dbraw/zinc/75/95/33/1294759533.db2.gz NOCNZYFPPKBNTO-ILXRZTDVSA-N 2 2 357.520 0.342 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336487 1294760259 /nfs/dbraw/zinc/76/02/59/1294760259.db2.gz QBYQRXSIAJCKQK-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336487 1294760266 /nfs/dbraw/zinc/76/02/66/1294760266.db2.gz QBYQRXSIAJCKQK-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001689546535 1294793685 /nfs/dbraw/zinc/79/36/85/1294793685.db2.gz DZNHZLXOEJBWLK-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001689546535 1294793699 /nfs/dbraw/zinc/79/36/99/1294793699.db2.gz DZNHZLXOEJBWLK-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(=O)Nc1ncccn1 ZINC001690341466 1294864557 /nfs/dbraw/zinc/86/45/57/1294864557.db2.gz PGIMYAOSRWTXAW-RKQHYHRCSA-N 2 2 369.429 0.567 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001690623151 1294876664 /nfs/dbraw/zinc/87/66/64/1294876664.db2.gz GUXGAYRGWHRBHU-BFHYXJOUSA-N 2 2 368.503 0.443 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCOC ZINC001691756116 1294917773 /nfs/dbraw/zinc/91/77/73/1294917773.db2.gz VRSVMDJWQBJDKC-BZUAXINKSA-N 2 2 350.463 0.545 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001691760621 1294920137 /nfs/dbraw/zinc/92/01/37/1294920137.db2.gz FAORQBOMKGGICH-ZACQAIPSSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001691760621 1294920146 /nfs/dbraw/zinc/92/01/46/1294920146.db2.gz FAORQBOMKGGICH-ZACQAIPSSA-N 2 2 368.522 0.401 20 0 FCADLP COc1cc[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164703170 719933030 /nfs/dbraw/zinc/93/30/30/719933030.db2.gz IWORACZMNGTIQO-UHFFFAOYSA-N 2 2 370.457 0.774 20 0 FCADLP CN(C)C1=[NH+]OC2(C1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164879395 721325304 /nfs/dbraw/zinc/32/53/04/721325304.db2.gz SVJPIWUWWWMUTC-UHFFFAOYSA-N 2 2 359.478 0.863 20 0 FCADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4C[NH2+]C5)C3)O2)CC1 ZINC001164889757 721399365 /nfs/dbraw/zinc/39/93/65/721399365.db2.gz MEBMAWRTCCNQLB-UZLBHIALSA-N 2 2 372.517 0.845 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070241504 837637357 /nfs/dbraw/zinc/63/73/57/837637357.db2.gz JKSYOQRDQICWKE-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070241504 837637359 /nfs/dbraw/zinc/63/73/59/837637359.db2.gz JKSYOQRDQICWKE-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001099333001 844029464 /nfs/dbraw/zinc/02/94/64/844029464.db2.gz MMPWWWIQIWXPPS-MRVWCRGKSA-N 2 2 360.380 0.978 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099342932 844035036 /nfs/dbraw/zinc/03/50/36/844035036.db2.gz BATBDLKKTZFUTC-VXGBXAGGSA-N 2 2 360.384 0.390 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099342417 844035138 /nfs/dbraw/zinc/03/51/38/844035138.db2.gz NMQDRKNGJLNMRN-GRYCIOLGSA-N 2 2 361.368 0.434 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101448598 844189427 /nfs/dbraw/zinc/18/94/27/844189427.db2.gz CSYVALGVUSISAN-QAPCUYQASA-N 2 2 350.463 0.142 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101448598 844189429 /nfs/dbraw/zinc/18/94/29/844189429.db2.gz CSYVALGVUSISAN-QAPCUYQASA-N 2 2 350.463 0.142 20 0 FCADLP C[C@]12CN(C(=O)CCCn3cc[nH+]c3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101487958 844206612 /nfs/dbraw/zinc/20/66/12/844206612.db2.gz CTNMTTSBFZOMMX-AEFFLSMTSA-N 2 2 350.463 0.453 20 0 FCADLP C[C@]12CN(C(=O)CCCn3cc[nH+]c3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101487958 844206620 /nfs/dbraw/zinc/20/66/20/844206620.db2.gz CTNMTTSBFZOMMX-AEFFLSMTSA-N 2 2 350.463 0.453 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076048162 837952620 /nfs/dbraw/zinc/95/26/20/837952620.db2.gz WANPAUURFBYYOR-HRCADAONSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076048162 837952629 /nfs/dbraw/zinc/95/26/29/837952629.db2.gz WANPAUURFBYYOR-HRCADAONSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076985956 838194419 /nfs/dbraw/zinc/19/44/19/838194419.db2.gz FSEYQPFWUAAUMQ-QLFBSQMISA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076985956 838194422 /nfs/dbraw/zinc/19/44/22/838194422.db2.gz FSEYQPFWUAAUMQ-QLFBSQMISA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076985956 838194426 /nfs/dbraw/zinc/19/44/26/838194426.db2.gz FSEYQPFWUAAUMQ-QLFBSQMISA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076985956 838194432 /nfs/dbraw/zinc/19/44/32/838194432.db2.gz FSEYQPFWUAAUMQ-QLFBSQMISA-N 2 2 352.504 0.986 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077003061 838208556 /nfs/dbraw/zinc/20/85/56/838208556.db2.gz QZAJWLFTTFXWPJ-ARFHVFGLSA-N 2 2 367.881 0.040 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077003061 838208564 /nfs/dbraw/zinc/20/85/64/838208564.db2.gz QZAJWLFTTFXWPJ-ARFHVFGLSA-N 2 2 367.881 0.040 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@H]2O)CC[N@@H+]1C ZINC001077027751 838226447 /nfs/dbraw/zinc/22/64/47/838226447.db2.gz OZEMQKDTCIYVPK-ZJIFWQFVSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@H]2O)CC[N@H+]1C ZINC001077027751 838226459 /nfs/dbraw/zinc/22/64/59/838226459.db2.gz OZEMQKDTCIYVPK-ZJIFWQFVSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2O)CC[NH+]1C ZINC001077027751 838226473 /nfs/dbraw/zinc/22/64/73/838226473.db2.gz OZEMQKDTCIYVPK-ZJIFWQFVSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2O)CC[NH+]1C ZINC001077027751 838226487 /nfs/dbraw/zinc/22/64/87/838226487.db2.gz OZEMQKDTCIYVPK-ZJIFWQFVSA-N 2 2 350.463 0.683 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090880 838724153 /nfs/dbraw/zinc/72/41/53/838724153.db2.gz DEESMHNDKIXYAY-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090880 838724163 /nfs/dbraw/zinc/72/41/63/838724163.db2.gz DEESMHNDKIXYAY-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090880 838724170 /nfs/dbraw/zinc/72/41/70/838724170.db2.gz DEESMHNDKIXYAY-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090880 838724178 /nfs/dbraw/zinc/72/41/78/838724178.db2.gz DEESMHNDKIXYAY-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)on1 ZINC001077128105 838751881 /nfs/dbraw/zinc/75/18/81/838751881.db2.gz XBZOKYJGQLULNA-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)on1 ZINC001077128105 838751886 /nfs/dbraw/zinc/75/18/86/838751886.db2.gz XBZOKYJGQLULNA-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001077128105 838751894 /nfs/dbraw/zinc/75/18/94/838751894.db2.gz XBZOKYJGQLULNA-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001077128105 838751899 /nfs/dbraw/zinc/75/18/99/838751899.db2.gz XBZOKYJGQLULNA-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)no1 ZINC001077275133 838867914 /nfs/dbraw/zinc/86/79/14/838867914.db2.gz SPFPEECTNWDPIG-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)no1 ZINC001077275133 838867923 /nfs/dbraw/zinc/86/79/23/838867923.db2.gz SPFPEECTNWDPIG-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077678914 839105617 /nfs/dbraw/zinc/10/56/17/839105617.db2.gz AWNCZCZMMFBAMU-CSMYWGQOSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077678914 839105624 /nfs/dbraw/zinc/10/56/24/839105624.db2.gz AWNCZCZMMFBAMU-CSMYWGQOSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077678914 839105628 /nfs/dbraw/zinc/10/56/28/839105628.db2.gz AWNCZCZMMFBAMU-CSMYWGQOSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077678914 839105631 /nfs/dbraw/zinc/10/56/31/839105631.db2.gz AWNCZCZMMFBAMU-CSMYWGQOSA-N 2 2 350.463 0.549 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685324 839112943 /nfs/dbraw/zinc/11/29/43/839112943.db2.gz KYWDOGQCJAXESP-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685324 839112950 /nfs/dbraw/zinc/11/29/50/839112950.db2.gz KYWDOGQCJAXESP-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077765412 839144035 /nfs/dbraw/zinc/14/40/35/839144035.db2.gz MEJXSYPYGNQNRS-HZPDHXFCSA-N 2 2 350.463 0.737 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077765412 839144041 /nfs/dbraw/zinc/14/40/41/839144041.db2.gz MEJXSYPYGNQNRS-HZPDHXFCSA-N 2 2 350.463 0.737 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001078009535 839289025 /nfs/dbraw/zinc/28/90/25/839289025.db2.gz GJKUFNBFEAOPNA-IAGOWNOFSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001078009535 839289042 /nfs/dbraw/zinc/28/90/42/839289042.db2.gz GJKUFNBFEAOPNA-IAGOWNOFSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1O ZINC001078007200 839290016 /nfs/dbraw/zinc/29/00/16/839290016.db2.gz LYSZUTQATKFXGZ-BPLDGKMQSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1O ZINC001078007200 839290027 /nfs/dbraw/zinc/29/00/27/839290027.db2.gz LYSZUTQATKFXGZ-BPLDGKMQSA-N 2 2 356.417 0.949 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001078229342 839418710 /nfs/dbraw/zinc/41/87/10/839418710.db2.gz DRLUCAXEUWZUJL-BZUAXINKSA-N 2 2 352.504 0.721 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001078229342 839418717 /nfs/dbraw/zinc/41/87/17/839418717.db2.gz DRLUCAXEUWZUJL-BZUAXINKSA-N 2 2 352.504 0.721 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001078229342 839418724 /nfs/dbraw/zinc/41/87/24/839418724.db2.gz DRLUCAXEUWZUJL-BZUAXINKSA-N 2 2 352.504 0.721 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001078229342 839418731 /nfs/dbraw/zinc/41/87/31/839418731.db2.gz DRLUCAXEUWZUJL-BZUAXINKSA-N 2 2 352.504 0.721 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nccs3)C2)O1 ZINC001078418708 839461278 /nfs/dbraw/zinc/46/12/78/839461278.db2.gz UTUDRYNQNFBUHS-RBSFLKMASA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nccs3)C2)O1 ZINC001078418708 839461281 /nfs/dbraw/zinc/46/12/81/839461281.db2.gz UTUDRYNQNFBUHS-RBSFLKMASA-N 2 2 368.503 0.569 20 0 FCADLP CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231688 839496207 /nfs/dbraw/zinc/49/62/07/839496207.db2.gz XIQWRHHUKWGURF-BBWFWOEESA-N 2 2 351.491 0.666 20 0 FCADLP CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231688 839496214 /nfs/dbraw/zinc/49/62/14/839496214.db2.gz XIQWRHHUKWGURF-BBWFWOEESA-N 2 2 351.491 0.666 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC2(CC[NH+](CCF)CC2)[C@H]2COC[C@H]21 ZINC001079270568 839503408 /nfs/dbraw/zinc/50/34/08/839503408.db2.gz ZBRQDKBFYLWXLM-JKSUJKDBSA-N 2 2 350.438 0.872 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cs1 ZINC001079526965 839544025 /nfs/dbraw/zinc/54/40/25/839544025.db2.gz YCSOAJSGSUHMKJ-DAXOMENPSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cs1 ZINC001079526965 839544026 /nfs/dbraw/zinc/54/40/26/839544026.db2.gz YCSOAJSGSUHMKJ-DAXOMENPSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cs1 ZINC001079526965 839544035 /nfs/dbraw/zinc/54/40/35/839544035.db2.gz YCSOAJSGSUHMKJ-DAXOMENPSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cs1 ZINC001079526965 839544042 /nfs/dbraw/zinc/54/40/42/839544042.db2.gz YCSOAJSGSUHMKJ-DAXOMENPSA-N 2 2 352.504 0.761 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845361 839607475 /nfs/dbraw/zinc/60/74/75/839607475.db2.gz WABWWVRTACOZEN-OWCLPIDISA-N 2 2 359.536 0.445 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845361 839607484 /nfs/dbraw/zinc/60/74/84/839607484.db2.gz WABWWVRTACOZEN-OWCLPIDISA-N 2 2 359.536 0.445 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845361 839607487 /nfs/dbraw/zinc/60/74/87/839607487.db2.gz WABWWVRTACOZEN-OWCLPIDISA-N 2 2 359.536 0.445 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845361 839607496 /nfs/dbraw/zinc/60/74/96/839607496.db2.gz WABWWVRTACOZEN-OWCLPIDISA-N 2 2 359.536 0.445 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080137727 839672493 /nfs/dbraw/zinc/67/24/93/839672493.db2.gz LJPKCDLVNXGBSJ-BPLDGKMQSA-N 2 2 354.476 0.063 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080137727 839672499 /nfs/dbraw/zinc/67/24/99/839672499.db2.gz LJPKCDLVNXGBSJ-BPLDGKMQSA-N 2 2 354.476 0.063 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080139814 839672590 /nfs/dbraw/zinc/67/25/90/839672590.db2.gz YNSVGIUMOFQCQM-VNQPRFMTSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080139814 839672593 /nfs/dbraw/zinc/67/25/93/839672593.db2.gz YNSVGIUMOFQCQM-VNQPRFMTSA-N 2 2 368.503 0.453 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294215 844460201 /nfs/dbraw/zinc/46/02/01/844460201.db2.gz ORXRWCJTKFUWPL-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294215 844460208 /nfs/dbraw/zinc/46/02/08/844460208.db2.gz ORXRWCJTKFUWPL-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311096 839699857 /nfs/dbraw/zinc/69/98/57/839699857.db2.gz RGUFSUUHWQQOPQ-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311096 839699862 /nfs/dbraw/zinc/69/98/62/839699862.db2.gz RGUFSUUHWQQOPQ-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311096 839699867 /nfs/dbraw/zinc/69/98/67/839699867.db2.gz RGUFSUUHWQQOPQ-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311096 839699870 /nfs/dbraw/zinc/69/98/70/839699870.db2.gz RGUFSUUHWQQOPQ-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001102314326 844464739 /nfs/dbraw/zinc/46/47/39/844464739.db2.gz BEVSZARNJFPXKH-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001102314326 844464742 /nfs/dbraw/zinc/46/47/42/844464742.db2.gz BEVSZARNJFPXKH-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001102314326 844464748 /nfs/dbraw/zinc/46/47/48/844464748.db2.gz BEVSZARNJFPXKH-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001102314326 844464751 /nfs/dbraw/zinc/46/47/51/844464751.db2.gz BEVSZARNJFPXKH-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456228 839728364 /nfs/dbraw/zinc/72/83/64/839728364.db2.gz UKXBOAJCISZRIA-OWCLPIDISA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456228 839728371 /nfs/dbraw/zinc/72/83/71/839728371.db2.gz UKXBOAJCISZRIA-OWCLPIDISA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456228 839728375 /nfs/dbraw/zinc/72/83/75/839728375.db2.gz UKXBOAJCISZRIA-OWCLPIDISA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456228 839728380 /nfs/dbraw/zinc/72/83/80/839728380.db2.gz UKXBOAJCISZRIA-OWCLPIDISA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001102350913 844472409 /nfs/dbraw/zinc/47/24/09/844472409.db2.gz DVUCRAISVXOATH-RBSFLKMASA-N 2 2 350.463 0.523 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001102350913 844472413 /nfs/dbraw/zinc/47/24/13/844472413.db2.gz DVUCRAISVXOATH-RBSFLKMASA-N 2 2 350.463 0.523 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037020 839871741 /nfs/dbraw/zinc/87/17/41/839871741.db2.gz OHUYTSRCKWMQEC-UKRRQHHQSA-N 2 2 354.476 0.144 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037020 839871753 /nfs/dbraw/zinc/87/17/53/839871753.db2.gz OHUYTSRCKWMQEC-UKRRQHHQSA-N 2 2 354.476 0.144 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445953 839932758 /nfs/dbraw/zinc/93/27/58/839932758.db2.gz IAEKRYZKFKJSGT-QLFBSQMISA-N 2 2 355.870 0.446 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445953 839932763 /nfs/dbraw/zinc/93/27/63/839932763.db2.gz IAEKRYZKFKJSGT-QLFBSQMISA-N 2 2 355.870 0.446 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081445953 839932768 /nfs/dbraw/zinc/93/27/68/839932768.db2.gz IAEKRYZKFKJSGT-QLFBSQMISA-N 2 2 355.870 0.446 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081445953 839932773 /nfs/dbraw/zinc/93/27/73/839932773.db2.gz IAEKRYZKFKJSGT-QLFBSQMISA-N 2 2 355.870 0.446 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102407962 844489188 /nfs/dbraw/zinc/48/91/88/844489188.db2.gz SOHSGTCZEFCLRF-MGPQQGTHSA-N 2 2 356.492 0.317 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102407962 844489196 /nfs/dbraw/zinc/48/91/96/844489196.db2.gz SOHSGTCZEFCLRF-MGPQQGTHSA-N 2 2 356.492 0.317 20 0 FCADLP COCC[N@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419904 844491196 /nfs/dbraw/zinc/49/11/96/844491196.db2.gz ZNDXTBGBCQAWNW-IAGOWNOFSA-N 2 2 353.507 0.962 20 0 FCADLP COCC[N@@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419904 844491200 /nfs/dbraw/zinc/49/12/00/844491200.db2.gz ZNDXTBGBCQAWNW-IAGOWNOFSA-N 2 2 353.507 0.962 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081705867 840004085 /nfs/dbraw/zinc/00/40/85/840004085.db2.gz FALFKMKAZSZLRX-FVQBIDKESA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081705867 840004088 /nfs/dbraw/zinc/00/40/88/840004088.db2.gz FALFKMKAZSZLRX-FVQBIDKESA-N 2 2 350.463 0.612 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081707787 840005590 /nfs/dbraw/zinc/00/55/90/840005590.db2.gz SSQHCWDOJKKLAZ-NUEKZKHPSA-N 2 2 350.463 0.612 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081707787 840005596 /nfs/dbraw/zinc/00/55/96/840005596.db2.gz SSQHCWDOJKKLAZ-NUEKZKHPSA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799421 840035557 /nfs/dbraw/zinc/03/55/57/840035557.db2.gz PDNBIPBCOJJMIR-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799421 840035568 /nfs/dbraw/zinc/03/55/68/840035568.db2.gz PDNBIPBCOJJMIR-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799421 840035579 /nfs/dbraw/zinc/03/55/79/840035579.db2.gz PDNBIPBCOJJMIR-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799421 840035588 /nfs/dbraw/zinc/03/55/88/840035588.db2.gz PDNBIPBCOJJMIR-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081952044 840121090 /nfs/dbraw/zinc/12/10/90/840121090.db2.gz RBJXXRGXPFFRLX-FRFSOERESA-N 2 2 350.463 0.612 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081952044 840121101 /nfs/dbraw/zinc/12/11/01/840121101.db2.gz RBJXXRGXPFFRLX-FRFSOERESA-N 2 2 350.463 0.612 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977568 840130572 /nfs/dbraw/zinc/13/05/72/840130572.db2.gz JMJGDTAKXIAOFO-WCXIOVBPSA-N 2 2 355.479 0.092 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977568 840130578 /nfs/dbraw/zinc/13/05/78/840130578.db2.gz JMJGDTAKXIAOFO-WCXIOVBPSA-N 2 2 355.479 0.092 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082094867 840181437 /nfs/dbraw/zinc/18/14/37/840181437.db2.gz HRLFNJQUSSUHGV-IAGOWNOFSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082094867 840181445 /nfs/dbraw/zinc/18/14/45/840181445.db2.gz HRLFNJQUSSUHGV-IAGOWNOFSA-N 2 2 350.463 0.894 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135099 840205187 /nfs/dbraw/zinc/20/51/87/840205187.db2.gz OSRBHTNIPPUNRK-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082135099 840205197 /nfs/dbraw/zinc/20/51/97/840205197.db2.gz OSRBHTNIPPUNRK-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082135099 840205208 /nfs/dbraw/zinc/20/52/08/840205208.db2.gz OSRBHTNIPPUNRK-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082135099 840205218 /nfs/dbraw/zinc/20/52/18/840205218.db2.gz OSRBHTNIPPUNRK-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082289957 840279829 /nfs/dbraw/zinc/27/98/29/840279829.db2.gz BOGTTZODGVEBQO-OWCLPIDISA-N 2 2 354.495 0.186 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082289957 840279836 /nfs/dbraw/zinc/27/98/36/840279836.db2.gz BOGTTZODGVEBQO-OWCLPIDISA-N 2 2 354.495 0.186 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497383 844530889 /nfs/dbraw/zinc/53/08/89/844530889.db2.gz PMISKKLSVLANKJ-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497383 844530892 /nfs/dbraw/zinc/53/08/92/844530892.db2.gz PMISKKLSVLANKJ-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102497383 844530895 /nfs/dbraw/zinc/53/08/95/844530895.db2.gz PMISKKLSVLANKJ-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497383 844530899 /nfs/dbraw/zinc/53/08/99/844530899.db2.gz PMISKKLSVLANKJ-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082492328 840436076 /nfs/dbraw/zinc/43/60/76/840436076.db2.gz PTKZKGMAKOQEGT-RBSFLKMASA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncc(Cl)n2C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511169 844542068 /nfs/dbraw/zinc/54/20/68/844542068.db2.gz MDQQIRXEWNMHNC-ZIAGYGMSSA-N 2 2 371.913 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncc(Cl)n2C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511169 844542072 /nfs/dbraw/zinc/54/20/72/844542072.db2.gz MDQQIRXEWNMHNC-ZIAGYGMSSA-N 2 2 371.913 0.836 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082860779 840587076 /nfs/dbraw/zinc/58/70/76/840587076.db2.gz MLOGNTKZISHDJL-HZSPNIEDSA-N 2 2 368.503 0.559 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)s1 ZINC001082921019 840602614 /nfs/dbraw/zinc/60/26/14/840602614.db2.gz QQZYGKJLYPBOOB-JHJVBQTASA-N 2 2 353.492 0.825 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)s1 ZINC001082921019 840602625 /nfs/dbraw/zinc/60/26/25/840602625.db2.gz QQZYGKJLYPBOOB-JHJVBQTASA-N 2 2 353.492 0.825 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)s1 ZINC001082922360 840603613 /nfs/dbraw/zinc/60/36/13/840603613.db2.gz YXXOPIJKTJSCTP-CHWSQXEVSA-N 2 2 353.492 0.969 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)o1 ZINC001082933803 840612864 /nfs/dbraw/zinc/61/28/64/840612864.db2.gz KCRDRIOUOJLWLW-FVQBIDKESA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)o1 ZINC001082933803 840612868 /nfs/dbraw/zinc/61/28/68/840612868.db2.gz KCRDRIOUOJLWLW-FVQBIDKESA-N 2 2 350.463 0.894 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082958036 840620411 /nfs/dbraw/zinc/62/04/11/840620411.db2.gz XDYCXUBWQVFXQY-QLFBSQMISA-N 2 2 354.476 0.144 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035501 840667127 /nfs/dbraw/zinc/66/71/27/840667127.db2.gz SRQHTQZMUZYFKY-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035501 840667131 /nfs/dbraw/zinc/66/71/31/840667131.db2.gz SRQHTQZMUZYFKY-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035501 840667137 /nfs/dbraw/zinc/66/71/37/840667137.db2.gz SRQHTQZMUZYFKY-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035501 840667142 /nfs/dbraw/zinc/66/71/42/840667142.db2.gz SRQHTQZMUZYFKY-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035385 840667386 /nfs/dbraw/zinc/66/73/86/840667386.db2.gz PEBCVCCPCMPGGY-RRFJBIMHSA-N 2 2 359.417 0.274 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035385 840667395 /nfs/dbraw/zinc/66/73/95/840667395.db2.gz PEBCVCCPCMPGGY-RRFJBIMHSA-N 2 2 359.417 0.274 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035385 840667403 /nfs/dbraw/zinc/66/74/03/840667403.db2.gz PEBCVCCPCMPGGY-RRFJBIMHSA-N 2 2 359.417 0.274 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035385 840667412 /nfs/dbraw/zinc/66/74/12/840667412.db2.gz PEBCVCCPCMPGGY-RRFJBIMHSA-N 2 2 359.417 0.274 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372681 840943874 /nfs/dbraw/zinc/94/38/74/840943874.db2.gz AMFRIJODKJTLOS-PMPSAXMXSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372681 840943875 /nfs/dbraw/zinc/94/38/75/840943875.db2.gz AMFRIJODKJTLOS-PMPSAXMXSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372681 840943879 /nfs/dbraw/zinc/94/38/79/840943879.db2.gz AMFRIJODKJTLOS-PMPSAXMXSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372681 840943887 /nfs/dbraw/zinc/94/38/87/840943887.db2.gz AMFRIJODKJTLOS-PMPSAXMXSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373323 840946115 /nfs/dbraw/zinc/94/61/15/840946115.db2.gz ZIGSPODPOZPLKW-SQNIBIBYSA-N 2 2 353.507 0.981 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373323 840946120 /nfs/dbraw/zinc/94/61/20/840946120.db2.gz ZIGSPODPOZPLKW-SQNIBIBYSA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373323 840946129 /nfs/dbraw/zinc/94/61/29/840946129.db2.gz ZIGSPODPOZPLKW-SQNIBIBYSA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373323 840946141 /nfs/dbraw/zinc/94/61/41/840946141.db2.gz ZIGSPODPOZPLKW-SQNIBIBYSA-N 2 2 353.507 0.981 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385513 840955498 /nfs/dbraw/zinc/95/54/98/840955498.db2.gz QEXXBXTUWVHDEU-IXDOHACOSA-N 2 2 367.877 0.374 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385513 840955505 /nfs/dbraw/zinc/95/55/05/840955505.db2.gz QEXXBXTUWVHDEU-IXDOHACOSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385513 840955513 /nfs/dbraw/zinc/95/55/13/840955513.db2.gz QEXXBXTUWVHDEU-IXDOHACOSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385513 840955522 /nfs/dbraw/zinc/95/55/22/840955522.db2.gz QEXXBXTUWVHDEU-IXDOHACOSA-N 2 2 367.877 0.374 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385614 840957086 /nfs/dbraw/zinc/95/70/86/840957086.db2.gz TXKCPJJNYDQUSU-PMPSAXMXSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385614 840957097 /nfs/dbraw/zinc/95/70/97/840957097.db2.gz TXKCPJJNYDQUSU-PMPSAXMXSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385614 840957102 /nfs/dbraw/zinc/95/71/02/840957102.db2.gz TXKCPJJNYDQUSU-PMPSAXMXSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385614 840957115 /nfs/dbraw/zinc/95/71/15/840957115.db2.gz TXKCPJJNYDQUSU-PMPSAXMXSA-N 2 2 353.488 0.357 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601043 844592294 /nfs/dbraw/zinc/59/22/94/844592294.db2.gz HROIZARHJWNLCC-HUUCEWRRSA-N 2 2 351.499 0.607 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601043 844592303 /nfs/dbraw/zinc/59/23/03/844592303.db2.gz HROIZARHJWNLCC-HUUCEWRRSA-N 2 2 351.499 0.607 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601043 844592311 /nfs/dbraw/zinc/59/23/11/844592311.db2.gz HROIZARHJWNLCC-HUUCEWRRSA-N 2 2 351.499 0.607 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601043 844592316 /nfs/dbraw/zinc/59/23/16/844592316.db2.gz HROIZARHJWNLCC-HUUCEWRRSA-N 2 2 351.499 0.607 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616444 844604628 /nfs/dbraw/zinc/60/46/28/844604628.db2.gz AVBJJMGRFLIDIR-RBSFLKMASA-N 2 2 354.476 0.002 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616444 844604635 /nfs/dbraw/zinc/60/46/35/844604635.db2.gz AVBJJMGRFLIDIR-RBSFLKMASA-N 2 2 354.476 0.002 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522302 841120097 /nfs/dbraw/zinc/12/00/97/841120097.db2.gz BCYSCFKUEJPEDE-ILXRZTDVSA-N 2 2 361.471 0.621 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522302 841120105 /nfs/dbraw/zinc/12/01/05/841120105.db2.gz BCYSCFKUEJPEDE-ILXRZTDVSA-N 2 2 361.471 0.621 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563145 841173184 /nfs/dbraw/zinc/17/31/84/841173184.db2.gz AXGDLMMKPWUTCB-XHSDSOJGSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563145 841173190 /nfs/dbraw/zinc/17/31/90/841173190.db2.gz AXGDLMMKPWUTCB-XHSDSOJGSA-N 2 2 350.463 0.515 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2O)no1 ZINC001083590739 841206159 /nfs/dbraw/zinc/20/61/59/841206159.db2.gz SPFPEECTNWDPIG-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)no1 ZINC001083590739 841206170 /nfs/dbraw/zinc/20/61/70/841206170.db2.gz SPFPEECTNWDPIG-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2O)no1 ZINC001083590877 841207145 /nfs/dbraw/zinc/20/71/45/841207145.db2.gz YWDPHVBGUVMLTG-CVEARBPZSA-N 2 2 350.463 0.947 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2O)no1 ZINC001083590877 841207152 /nfs/dbraw/zinc/20/71/52/841207152.db2.gz YWDPHVBGUVMLTG-CVEARBPZSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cs1 ZINC001083601555 841221294 /nfs/dbraw/zinc/22/12/94/841221294.db2.gz AVEONUJMSXLGAS-CVEARBPZSA-N 2 2 364.515 0.784 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cs1 ZINC001083601555 841221299 /nfs/dbraw/zinc/22/12/99/841221299.db2.gz AVEONUJMSXLGAS-CVEARBPZSA-N 2 2 364.515 0.784 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083645086 841272343 /nfs/dbraw/zinc/27/23/43/841272343.db2.gz KJBBBVGVRKTRLS-XQQFMLRXSA-N 2 2 361.273 0.937 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083645086 841272351 /nfs/dbraw/zinc/27/23/51/841272351.db2.gz KJBBBVGVRKTRLS-XQQFMLRXSA-N 2 2 361.273 0.937 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727334 841368254 /nfs/dbraw/zinc/36/82/54/841368254.db2.gz XWFJIBKRHPZBNS-CLROSIBMSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727334 841368264 /nfs/dbraw/zinc/36/82/64/841368264.db2.gz XWFJIBKRHPZBNS-CLROSIBMSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727334 841368272 /nfs/dbraw/zinc/36/82/72/841368272.db2.gz XWFJIBKRHPZBNS-CLROSIBMSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727334 841368282 /nfs/dbraw/zinc/36/82/82/841368282.db2.gz XWFJIBKRHPZBNS-CLROSIBMSA-N 2 2 350.463 0.629 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001275799804 861195834 /nfs/dbraw/zinc/19/58/34/861195834.db2.gz NTLOHQGCZORLDF-KKUMJFAQSA-N 2 2 350.488 0.693 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001275799804 861195837 /nfs/dbraw/zinc/19/58/37/861195837.db2.gz NTLOHQGCZORLDF-KKUMJFAQSA-N 2 2 350.488 0.693 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001275799804 861195839 /nfs/dbraw/zinc/19/58/39/861195839.db2.gz NTLOHQGCZORLDF-KKUMJFAQSA-N 2 2 350.488 0.693 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001275799804 861195842 /nfs/dbraw/zinc/19/58/42/861195842.db2.gz NTLOHQGCZORLDF-KKUMJFAQSA-N 2 2 350.488 0.693 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196824 /nfs/dbraw/zinc/19/68/24/861196824.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196838 /nfs/dbraw/zinc/19/68/38/861196838.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196853 /nfs/dbraw/zinc/19/68/53/861196853.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196862 /nfs/dbraw/zinc/19/68/62/861196862.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196878 /nfs/dbraw/zinc/19/68/78/861196878.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800417 861196891 /nfs/dbraw/zinc/19/68/91/861196891.db2.gz CYQHNJZXVQMLTP-HKUYNNGSSA-N 2 2 352.523 0.319 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083783020 841433836 /nfs/dbraw/zinc/43/38/36/841433836.db2.gz WYDIPBIPMGAUFB-CABCVRRESA-N 2 2 352.504 0.579 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083783020 841433844 /nfs/dbraw/zinc/43/38/44/841433844.db2.gz WYDIPBIPMGAUFB-CABCVRRESA-N 2 2 352.504 0.579 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083783020 841433853 /nfs/dbraw/zinc/43/38/53/841433853.db2.gz WYDIPBIPMGAUFB-CABCVRRESA-N 2 2 352.504 0.579 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)C1 ZINC001083783020 841433858 /nfs/dbraw/zinc/43/38/58/841433858.db2.gz WYDIPBIPMGAUFB-CABCVRRESA-N 2 2 352.504 0.579 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC1 ZINC001083833802 841480006 /nfs/dbraw/zinc/48/00/06/841480006.db2.gz WENOSWXVJAJILE-CVEARBPZSA-N 2 2 369.897 0.430 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC1 ZINC001083833802 841480011 /nfs/dbraw/zinc/48/00/11/841480011.db2.gz WENOSWXVJAJILE-CVEARBPZSA-N 2 2 369.897 0.430 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091118 841699420 /nfs/dbraw/zinc/69/94/20/841699420.db2.gz ZGUGHXJZGRHIFQ-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091118 841699422 /nfs/dbraw/zinc/69/94/22/841699422.db2.gz ZGUGHXJZGRHIFQ-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091118 841699425 /nfs/dbraw/zinc/69/94/25/841699425.db2.gz ZGUGHXJZGRHIFQ-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091118 841699427 /nfs/dbraw/zinc/69/94/27/841699427.db2.gz ZGUGHXJZGRHIFQ-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251378 841756001 /nfs/dbraw/zinc/75/60/01/841756001.db2.gz LFMNQJNWLNQUSV-BZUAXINKSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251378 841756006 /nfs/dbraw/zinc/75/60/06/841756006.db2.gz LFMNQJNWLNQUSV-BZUAXINKSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251378 841756011 /nfs/dbraw/zinc/75/60/11/841756011.db2.gz LFMNQJNWLNQUSV-BZUAXINKSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251378 841756017 /nfs/dbraw/zinc/75/60/17/841756017.db2.gz LFMNQJNWLNQUSV-BZUAXINKSA-N 2 2 364.515 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275878897 861243145 /nfs/dbraw/zinc/24/31/45/861243145.db2.gz MQFANLMTCKRCPG-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275878897 861243156 /nfs/dbraw/zinc/24/31/56/861243156.db2.gz MQFANLMTCKRCPG-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275878897 861243166 /nfs/dbraw/zinc/24/31/66/861243166.db2.gz MQFANLMTCKRCPG-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878897 861243177 /nfs/dbraw/zinc/24/31/77/861243177.db2.gz MQFANLMTCKRCPG-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001084768000 841912616 /nfs/dbraw/zinc/91/26/16/841912616.db2.gz RPEQFOCQXKKBES-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001084768000 841912619 /nfs/dbraw/zinc/91/26/19/841912619.db2.gz RPEQFOCQXKKBES-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001084768000 841912623 /nfs/dbraw/zinc/91/26/23/841912623.db2.gz RPEQFOCQXKKBES-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001084768000 841912625 /nfs/dbraw/zinc/91/26/25/841912625.db2.gz RPEQFOCQXKKBES-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995320 841984498 /nfs/dbraw/zinc/98/44/98/841984498.db2.gz XBDKRPSRMHQAIS-BDXSIMOUSA-N 2 2 351.491 0.809 20 0 FCADLP CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995320 841984502 /nfs/dbraw/zinc/98/45/02/841984502.db2.gz XBDKRPSRMHQAIS-BDXSIMOUSA-N 2 2 351.491 0.809 20 0 FCADLP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159073 842030157 /nfs/dbraw/zinc/03/01/57/842030157.db2.gz GSGKVBQFQJMWSG-MGPQQGTHSA-N 2 2 369.897 0.921 20 0 FCADLP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159073 842030172 /nfs/dbraw/zinc/03/01/72/842030172.db2.gz GSGKVBQFQJMWSG-MGPQQGTHSA-N 2 2 369.897 0.921 20 0 FCADLP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001085152950 842030824 /nfs/dbraw/zinc/03/08/24/842030824.db2.gz XHPGISMCZUPOAK-MGPQQGTHSA-N 2 2 350.467 0.747 20 0 FCADLP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001085152950 842030836 /nfs/dbraw/zinc/03/08/36/842030836.db2.gz XHPGISMCZUPOAK-MGPQQGTHSA-N 2 2 350.467 0.747 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085429015 842101618 /nfs/dbraw/zinc/10/16/18/842101618.db2.gz CHDCWTOCITURHE-KFWWJZLASA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085429015 842101622 /nfs/dbraw/zinc/10/16/22/842101622.db2.gz CHDCWTOCITURHE-KFWWJZLASA-N 2 2 350.467 0.053 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001085438710 842105936 /nfs/dbraw/zinc/10/59/36/842105936.db2.gz BWCCRFBRPFLLGS-BZUAXINKSA-N 2 2 368.503 0.725 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001085603487 842107686 /nfs/dbraw/zinc/10/76/86/842107686.db2.gz FYUHKIVMMGZQBI-YESZJQIVSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001085603487 842107688 /nfs/dbraw/zinc/10/76/88/842107688.db2.gz FYUHKIVMMGZQBI-YESZJQIVSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001085603487 842107690 /nfs/dbraw/zinc/10/76/90/842107690.db2.gz FYUHKIVMMGZQBI-YESZJQIVSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001085603487 842107694 /nfs/dbraw/zinc/10/76/94/842107694.db2.gz FYUHKIVMMGZQBI-YESZJQIVSA-N 2 2 350.507 0.870 20 0 FCADLP Cc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120039 842121864 /nfs/dbraw/zinc/12/18/64/842121864.db2.gz JFBILXBZIVUSDX-SOMZYNEFSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120039 842121873 /nfs/dbraw/zinc/12/18/73/842121873.db2.gz JFBILXBZIVUSDX-SOMZYNEFSA-N 2 2 351.451 0.643 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086664973 842145353 /nfs/dbraw/zinc/14/53/53/842145353.db2.gz KVDQQOALBZMKBL-SQWLQELKSA-N 2 2 350.467 0.003 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086664973 842145364 /nfs/dbraw/zinc/14/53/64/842145364.db2.gz KVDQQOALBZMKBL-SQWLQELKSA-N 2 2 350.467 0.003 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731858 842161676 /nfs/dbraw/zinc/16/16/76/842161676.db2.gz GWYDZRMLSQHCSO-UZMCECQYSA-N 2 2 351.451 0.472 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731858 842161681 /nfs/dbraw/zinc/16/16/81/842161681.db2.gz GWYDZRMLSQHCSO-UZMCECQYSA-N 2 2 351.451 0.472 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2cnon2)C1 ZINC001087226390 842320866 /nfs/dbraw/zinc/32/08/66/842320866.db2.gz ROKNABCFZQPZJA-ZBFHGGJFSA-N 2 2 351.451 0.509 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CC(N)=O ZINC001087601556 842373341 /nfs/dbraw/zinc/37/33/41/842373341.db2.gz XOKKJUUJXSIOJY-ARFHVFGLSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(N)=O ZINC001087601556 842373353 /nfs/dbraw/zinc/37/33/53/842373353.db2.gz XOKKJUUJXSIOJY-ARFHVFGLSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(N)=O ZINC001087601556 842373362 /nfs/dbraw/zinc/37/33/62/842373362.db2.gz XOKKJUUJXSIOJY-ARFHVFGLSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(N)=O ZINC001087601556 842373374 /nfs/dbraw/zinc/37/33/74/842373374.db2.gz XOKKJUUJXSIOJY-ARFHVFGLSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cnnn1C ZINC001087622498 842381806 /nfs/dbraw/zinc/38/18/06/842381806.db2.gz PXTHVOPXHOKGSZ-SLBVQIDZSA-N 2 2 350.467 0.003 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cnnn1C ZINC001087622498 842381819 /nfs/dbraw/zinc/38/18/19/842381819.db2.gz PXTHVOPXHOKGSZ-SLBVQIDZSA-N 2 2 350.467 0.003 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnnn1C ZINC001087622498 842381832 /nfs/dbraw/zinc/38/18/32/842381832.db2.gz PXTHVOPXHOKGSZ-SLBVQIDZSA-N 2 2 350.467 0.003 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnnn1C ZINC001087622498 842381848 /nfs/dbraw/zinc/38/18/48/842381848.db2.gz PXTHVOPXHOKGSZ-SLBVQIDZSA-N 2 2 350.467 0.003 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088042309 842514988 /nfs/dbraw/zinc/51/49/88/842514988.db2.gz IHKQELOQYFDRSZ-CABCVRRESA-N 2 2 354.476 0.016 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088042309 842514994 /nfs/dbraw/zinc/51/49/94/842514994.db2.gz IHKQELOQYFDRSZ-CABCVRRESA-N 2 2 354.476 0.016 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088494560 842587280 /nfs/dbraw/zinc/58/72/80/842587280.db2.gz FLWITRQFIYRAIB-VNQPRFMTSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088494560 842587287 /nfs/dbraw/zinc/58/72/87/842587287.db2.gz FLWITRQFIYRAIB-VNQPRFMTSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088494560 842587290 /nfs/dbraw/zinc/58/72/90/842587290.db2.gz FLWITRQFIYRAIB-VNQPRFMTSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088494560 842587297 /nfs/dbraw/zinc/58/72/97/842587297.db2.gz FLWITRQFIYRAIB-VNQPRFMTSA-N 2 2 357.520 0.484 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750602 842666303 /nfs/dbraw/zinc/66/63/03/842666303.db2.gz WKEMOPUHLVBQHW-KFWWJZLASA-N 2 2 354.476 0.205 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750602 842666309 /nfs/dbraw/zinc/66/63/09/842666309.db2.gz WKEMOPUHLVBQHW-KFWWJZLASA-N 2 2 354.476 0.205 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001089038377 842751636 /nfs/dbraw/zinc/75/16/36/842751636.db2.gz RYHUSSXQWNEFNI-PMPSAXMXSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001089038377 842751643 /nfs/dbraw/zinc/75/16/43/842751643.db2.gz RYHUSSXQWNEFNI-PMPSAXMXSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnns4)C[C@@]3(C)C2)O1 ZINC001091782736 843093692 /nfs/dbraw/zinc/09/36/92/843093692.db2.gz BOEUNPVHGPLTMF-SMKXDYDZSA-N 2 2 365.503 0.538 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnns4)C[C@@]3(C)C2)O1 ZINC001091782736 843093698 /nfs/dbraw/zinc/09/36/98/843093698.db2.gz BOEUNPVHGPLTMF-SMKXDYDZSA-N 2 2 365.503 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnns4)C[C@@]3(C)C2)O1 ZINC001091782736 843093706 /nfs/dbraw/zinc/09/37/06/843093706.db2.gz BOEUNPVHGPLTMF-SMKXDYDZSA-N 2 2 365.503 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnns4)C[C@@]3(C)C2)O1 ZINC001091782736 843093715 /nfs/dbraw/zinc/09/37/15/843093715.db2.gz BOEUNPVHGPLTMF-SMKXDYDZSA-N 2 2 365.503 0.538 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001092319297 843186347 /nfs/dbraw/zinc/18/63/47/843186347.db2.gz OIZICACCVFUEEG-INMHGKMJSA-N 2 2 366.487 0.098 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001092319297 843186351 /nfs/dbraw/zinc/18/63/51/843186351.db2.gz OIZICACCVFUEEG-INMHGKMJSA-N 2 2 366.487 0.098 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092504595 843222431 /nfs/dbraw/zinc/22/24/31/843222431.db2.gz SJSBMQLAFOOJCV-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092504595 843222443 /nfs/dbraw/zinc/22/24/43/843222443.db2.gz SJSBMQLAFOOJCV-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](C)C2)n1 ZINC001092504595 843222452 /nfs/dbraw/zinc/22/24/52/843222452.db2.gz SJSBMQLAFOOJCV-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@H](C)C2)n1 ZINC001092504595 843222463 /nfs/dbraw/zinc/22/24/63/843222463.db2.gz SJSBMQLAFOOJCV-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092521921 843228271 /nfs/dbraw/zinc/22/82/71/843228271.db2.gz HUCFMCSRVKORLN-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092521921 843228283 /nfs/dbraw/zinc/22/82/83/843228283.db2.gz HUCFMCSRVKORLN-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092521921 843228295 /nfs/dbraw/zinc/22/82/95/843228295.db2.gz HUCFMCSRVKORLN-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092521921 843228303 /nfs/dbraw/zinc/22/83/03/843228303.db2.gz HUCFMCSRVKORLN-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001092855465 843321681 /nfs/dbraw/zinc/32/16/81/843321681.db2.gz MQCOSILBDAVBMF-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001092855465 843321694 /nfs/dbraw/zinc/32/16/94/843321694.db2.gz MQCOSILBDAVBMF-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001092855465 843321705 /nfs/dbraw/zinc/32/17/05/843321705.db2.gz MQCOSILBDAVBMF-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001092855465 843321718 /nfs/dbraw/zinc/32/17/18/843321718.db2.gz MQCOSILBDAVBMF-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450864 843435041 /nfs/dbraw/zinc/43/50/41/843435041.db2.gz YHAFNNJDDBGVQF-JOCBIADPSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450864 843435046 /nfs/dbraw/zinc/43/50/46/843435046.db2.gz YHAFNNJDDBGVQF-JOCBIADPSA-N 2 2 350.463 0.301 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691166 843457156 /nfs/dbraw/zinc/45/71/56/843457156.db2.gz KUYMGROXOKJVMJ-BNOWGMLFSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691166 843457149 /nfs/dbraw/zinc/45/71/49/843457149.db2.gz KUYMGROXOKJVMJ-BNOWGMLFSA-N 2 2 353.492 0.361 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001094132958 843520710 /nfs/dbraw/zinc/52/07/10/843520710.db2.gz QUWJNCYFTAHFFH-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098099715 843900702 /nfs/dbraw/zinc/90/07/02/843900702.db2.gz UWOYKQVLSFBZPY-HZMVEIRTSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098099715 843900709 /nfs/dbraw/zinc/90/07/09/843900709.db2.gz UWOYKQVLSFBZPY-HZMVEIRTSA-N 2 2 350.507 0.917 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001099162645 843966888 /nfs/dbraw/zinc/96/68/88/843966888.db2.gz OBYWCELNMNMULM-RYRKJORJSA-N 2 2 369.531 0.488 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001099162645 843966894 /nfs/dbraw/zinc/96/68/94/843966894.db2.gz OBYWCELNMNMULM-RYRKJORJSA-N 2 2 369.531 0.488 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001099287895 844005487 /nfs/dbraw/zinc/00/54/87/844005487.db2.gz SKPNEXWGLBPCPK-GRYCIOLGSA-N 2 2 359.352 0.141 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)co1 ZINC001102819014 844653248 /nfs/dbraw/zinc/65/32/48/844653248.db2.gz MXUZFDYNBSACHS-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)co1 ZINC001102819014 844653251 /nfs/dbraw/zinc/65/32/51/844653251.db2.gz MXUZFDYNBSACHS-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)co1 ZINC001102819014 844653253 /nfs/dbraw/zinc/65/32/53/844653253.db2.gz MXUZFDYNBSACHS-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)co1 ZINC001102819014 844653256 /nfs/dbraw/zinc/65/32/56/844653256.db2.gz MXUZFDYNBSACHS-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103687979 844800609 /nfs/dbraw/zinc/80/06/09/844800609.db2.gz DBPRMJFYIKDXPO-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103687979 844800618 /nfs/dbraw/zinc/80/06/18/844800618.db2.gz DBPRMJFYIKDXPO-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+](C)C ZINC001276610819 861499536 /nfs/dbraw/zinc/49/95/36/861499536.db2.gz RQXMZJRUJINTKV-MAUKXSAKSA-N 2 2 355.479 0.583 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+](C)C ZINC001276610819 861499541 /nfs/dbraw/zinc/49/95/41/861499541.db2.gz RQXMZJRUJINTKV-MAUKXSAKSA-N 2 2 355.479 0.583 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740645 844813711 /nfs/dbraw/zinc/81/37/11/844813711.db2.gz PLUPAWUODBCFIJ-IIAWOOMASA-N 2 2 351.451 0.365 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740645 844813714 /nfs/dbraw/zinc/81/37/14/844813714.db2.gz PLUPAWUODBCFIJ-IIAWOOMASA-N 2 2 351.451 0.365 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740645 844813718 /nfs/dbraw/zinc/81/37/18/844813718.db2.gz PLUPAWUODBCFIJ-IIAWOOMASA-N 2 2 351.451 0.365 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001103740645 844813721 /nfs/dbraw/zinc/81/37/21/844813721.db2.gz PLUPAWUODBCFIJ-IIAWOOMASA-N 2 2 351.451 0.365 20 0 FCADLP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033862 844856813 /nfs/dbraw/zinc/85/68/13/844856813.db2.gz JRHFBHYPVUNHIY-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033862 844856817 /nfs/dbraw/zinc/85/68/17/844856817.db2.gz JRHFBHYPVUNHIY-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1csnn1 ZINC001104346941 844896148 /nfs/dbraw/zinc/89/61/48/844896148.db2.gz LYFDSZIWOXYUIA-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1csnn1 ZINC001104346941 844896152 /nfs/dbraw/zinc/89/61/52/844896152.db2.gz LYFDSZIWOXYUIA-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001104729184 844935288 /nfs/dbraw/zinc/93/52/88/844935288.db2.gz QATVQGRLUZTKRX-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104776047 844941329 /nfs/dbraw/zinc/94/13/29/844941329.db2.gz WFNREGRIUXVJPE-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104776047 844941333 /nfs/dbraw/zinc/94/13/33/844941333.db2.gz WFNREGRIUXVJPE-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001106068666 845092158 /nfs/dbraw/zinc/09/21/58/845092158.db2.gz LMDVSNNPHNQLQA-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106278761 845147045 /nfs/dbraw/zinc/14/70/45/845147045.db2.gz JHXQNAOSSDEIKQ-KLHDSHLOSA-N 2 2 350.463 0.860 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106278761 845147047 /nfs/dbraw/zinc/14/70/47/845147047.db2.gz JHXQNAOSSDEIKQ-KLHDSHLOSA-N 2 2 350.463 0.860 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106308958 845152155 /nfs/dbraw/zinc/15/21/55/845152155.db2.gz JGUDKKUEBOCURR-BMFZPTHFSA-N 2 2 351.447 0.324 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106333551 845157855 /nfs/dbraw/zinc/15/78/55/845157855.db2.gz MTAOOWIZUHJFFQ-QLFBSQMISA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106343219 845160179 /nfs/dbraw/zinc/16/01/79/845160179.db2.gz UZILGIGTNSKVAY-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498837 845185978 /nfs/dbraw/zinc/18/59/78/845185978.db2.gz RWJUKDYDWVLVJE-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574936 845198136 /nfs/dbraw/zinc/19/81/36/845198136.db2.gz RYSDWNPXHLEXIQ-NUJGCVRESA-N 2 2 353.507 0.960 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574935 845197959 /nfs/dbraw/zinc/19/79/59/845197959.db2.gz RYSDWNPXHLEXIQ-JFIYKMOQSA-N 2 2 353.507 0.960 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574935 845197963 /nfs/dbraw/zinc/19/79/63/845197963.db2.gz RYSDWNPXHLEXIQ-JFIYKMOQSA-N 2 2 353.507 0.960 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574936 845198127 /nfs/dbraw/zinc/19/81/27/845198127.db2.gz RYSDWNPXHLEXIQ-NUJGCVRESA-N 2 2 353.507 0.960 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106621706 845207514 /nfs/dbraw/zinc/20/75/14/845207514.db2.gz ZWHSTGFQKLCSLK-GNWIYXJHSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106621706 845207523 /nfs/dbraw/zinc/20/75/23/845207523.db2.gz ZWHSTGFQKLCSLK-GNWIYXJHSA-N 2 2 367.881 0.894 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710284 845230031 /nfs/dbraw/zinc/23/00/31/845230031.db2.gz FBBYSKOCAVLBOK-QLFBSQMISA-N 2 2 371.507 0.068 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106799287 845255106 /nfs/dbraw/zinc/25/51/06/845255106.db2.gz FWCKGSPZCWQQPH-GHMZBOCLSA-N 2 2 363.447 0.127 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001106799686 845255479 /nfs/dbraw/zinc/25/54/79/845255479.db2.gz MBPLIOBVQZJQLE-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001106877292 845275850 /nfs/dbraw/zinc/27/58/50/845275850.db2.gz WCDDGIMYDPEFSD-BZPMIXESSA-N 2 2 362.396 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001107078227 845326553 /nfs/dbraw/zinc/32/65/53/845326553.db2.gz DVEMDJTYBZNTPZ-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001107079102 845326639 /nfs/dbraw/zinc/32/66/39/845326639.db2.gz SOMUPOLXJWMTKG-HUUCEWRRSA-N 2 2 368.503 0.392 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386217 845364064 /nfs/dbraw/zinc/36/40/64/845364064.db2.gz KNHXKEAWVWXBNZ-RHSMWYFYSA-N 2 2 368.503 0.748 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386217 845364073 /nfs/dbraw/zinc/36/40/73/845364073.db2.gz KNHXKEAWVWXBNZ-RHSMWYFYSA-N 2 2 368.503 0.748 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107634057 845411959 /nfs/dbraw/zinc/41/19/59/845411959.db2.gz IMFWMVNYFQKMKV-NVXWUHKLSA-N 2 2 368.503 0.597 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107634057 845411970 /nfs/dbraw/zinc/41/19/70/845411970.db2.gz IMFWMVNYFQKMKV-NVXWUHKLSA-N 2 2 368.503 0.597 20 0 FCADLP COCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024513 845423103 /nfs/dbraw/zinc/42/31/03/845423103.db2.gz MEQOJNVRRYQONZ-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP COCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024513 845423108 /nfs/dbraw/zinc/42/31/08/845423108.db2.gz MEQOJNVRRYQONZ-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP COCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024513 845423115 /nfs/dbraw/zinc/42/31/15/845423115.db2.gz MEQOJNVRRYQONZ-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP COCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024513 845423120 /nfs/dbraw/zinc/42/31/20/845423120.db2.gz MEQOJNVRRYQONZ-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068427 845560870 /nfs/dbraw/zinc/56/08/70/845560870.db2.gz VWSUPRGKMMYMCV-UGUYLWEFSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068427 845560881 /nfs/dbraw/zinc/56/08/81/845560881.db2.gz VWSUPRGKMMYMCV-UGUYLWEFSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001109068427 845560889 /nfs/dbraw/zinc/56/08/89/845560889.db2.gz VWSUPRGKMMYMCV-UGUYLWEFSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109068427 845560900 /nfs/dbraw/zinc/56/09/00/845560900.db2.gz VWSUPRGKMMYMCV-UGUYLWEFSA-N 2 2 351.495 0.510 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC)C1 ZINC001109635538 845701671 /nfs/dbraw/zinc/70/16/71/845701671.db2.gz HNYGVABSXOMKMR-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC)C1 ZINC001109635538 845701675 /nfs/dbraw/zinc/70/16/75/845701675.db2.gz HNYGVABSXOMKMR-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC)C1 ZINC001109635538 845701679 /nfs/dbraw/zinc/70/16/79/845701679.db2.gz HNYGVABSXOMKMR-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC)C1 ZINC001109635538 845701685 /nfs/dbraw/zinc/70/16/85/845701685.db2.gz HNYGVABSXOMKMR-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798544 845737694 /nfs/dbraw/zinc/73/76/94/845737694.db2.gz IKURFQYYSJSTNR-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798544 845737702 /nfs/dbraw/zinc/73/77/02/845737702.db2.gz IKURFQYYSJSTNR-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCS(=O)(=O)CC[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276773549 861603096 /nfs/dbraw/zinc/60/30/96/861603096.db2.gz XSZPUKDWEVDGQB-UHFFFAOYSA-N 2 2 368.503 0.632 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976006 845769767 /nfs/dbraw/zinc/76/97/67/845769767.db2.gz NGNQYIGYIRXIFN-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976006 845769771 /nfs/dbraw/zinc/76/97/71/845769771.db2.gz NGNQYIGYIRXIFN-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109976006 845769780 /nfs/dbraw/zinc/76/97/80/845769780.db2.gz NGNQYIGYIRXIFN-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109976006 845769789 /nfs/dbraw/zinc/76/97/89/845769789.db2.gz NGNQYIGYIRXIFN-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001109975919 845770479 /nfs/dbraw/zinc/77/04/79/845770479.db2.gz JZIJLHVABPJIDU-FZKCQIBNSA-N 2 2 357.520 0.484 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001109975919 845770483 /nfs/dbraw/zinc/77/04/83/845770483.db2.gz JZIJLHVABPJIDU-FZKCQIBNSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)C1 ZINC001109975919 845770486 /nfs/dbraw/zinc/77/04/86/845770486.db2.gz JZIJLHVABPJIDU-FZKCQIBNSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)C1 ZINC001109975919 845770492 /nfs/dbraw/zinc/77/04/92/845770492.db2.gz JZIJLHVABPJIDU-FZKCQIBNSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)CS(C)(=O)=O ZINC001109982394 845772254 /nfs/dbraw/zinc/77/22/54/845772254.db2.gz BENJFTIKVBLKHA-FZKCQIBNSA-N 2 2 369.531 0.484 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)CS(C)(=O)=O ZINC001109982394 845772258 /nfs/dbraw/zinc/77/22/58/845772258.db2.gz BENJFTIKVBLKHA-FZKCQIBNSA-N 2 2 369.531 0.484 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103384 845792136 /nfs/dbraw/zinc/79/21/36/845792136.db2.gz RKKQRMMDFIQGSI-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103384 845792140 /nfs/dbraw/zinc/79/21/40/845792140.db2.gz RKKQRMMDFIQGSI-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP COCCOCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794564 861611142 /nfs/dbraw/zinc/61/11/42/861611142.db2.gz MVNAMMJYKXGETQ-BZUAXINKSA-N 2 2 357.495 0.421 20 0 FCADLP COCCOCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794564 861611147 /nfs/dbraw/zinc/61/11/47/861611147.db2.gz MVNAMMJYKXGETQ-BZUAXINKSA-N 2 2 357.495 0.421 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576347 845921473 /nfs/dbraw/zinc/92/14/73/845921473.db2.gz DIDGPMZBOSTPIO-HHARLNAUSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576347 845921475 /nfs/dbraw/zinc/92/14/75/845921475.db2.gz DIDGPMZBOSTPIO-HHARLNAUSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110576347 845921479 /nfs/dbraw/zinc/92/14/79/845921479.db2.gz DIDGPMZBOSTPIO-HHARLNAUSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576347 845921482 /nfs/dbraw/zinc/92/14/82/845921482.db2.gz DIDGPMZBOSTPIO-HHARLNAUSA-N 2 2 350.507 0.820 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001110576400 845921809 /nfs/dbraw/zinc/92/18/09/845921809.db2.gz GSSZZSPYFHOLKP-QCODTGAPSA-N 2 2 357.520 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001110576400 845921820 /nfs/dbraw/zinc/92/18/20/845921820.db2.gz GSSZZSPYFHOLKP-QCODTGAPSA-N 2 2 357.520 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001110576400 845921830 /nfs/dbraw/zinc/92/18/30/845921830.db2.gz GSSZZSPYFHOLKP-QCODTGAPSA-N 2 2 357.520 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001110576400 845921834 /nfs/dbraw/zinc/92/18/34/845921834.db2.gz GSSZZSPYFHOLKP-QCODTGAPSA-N 2 2 357.520 0.483 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)no1 ZINC001110748614 845964511 /nfs/dbraw/zinc/96/45/11/845964511.db2.gz LHTQZTXCYWBMJT-XPKDYRNWSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)no1 ZINC001110748614 845964519 /nfs/dbraw/zinc/96/45/19/845964519.db2.gz LHTQZTXCYWBMJT-XPKDYRNWSA-N 2 2 352.435 0.080 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC)C1 ZINC001110934538 845998053 /nfs/dbraw/zinc/99/80/53/845998053.db2.gz HNYGVABSXOMKMR-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC)C1 ZINC001110934538 845998057 /nfs/dbraw/zinc/99/80/57/845998057.db2.gz HNYGVABSXOMKMR-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC)C1 ZINC001110934538 845998059 /nfs/dbraw/zinc/99/80/59/845998059.db2.gz HNYGVABSXOMKMR-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC)C1 ZINC001110934538 845998062 /nfs/dbraw/zinc/99/80/62/845998062.db2.gz HNYGVABSXOMKMR-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001110977971 846007293 /nfs/dbraw/zinc/00/72/93/846007293.db2.gz KEOLKLZTCORAMF-WCVJEAGWSA-N 2 2 351.426 0.538 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001110977971 846007300 /nfs/dbraw/zinc/00/73/00/846007300.db2.gz KEOLKLZTCORAMF-WCVJEAGWSA-N 2 2 351.426 0.538 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001110977971 846007305 /nfs/dbraw/zinc/00/73/05/846007305.db2.gz KEOLKLZTCORAMF-WCVJEAGWSA-N 2 2 351.426 0.538 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001110977971 846007310 /nfs/dbraw/zinc/00/73/10/846007310.db2.gz KEOLKLZTCORAMF-WCVJEAGWSA-N 2 2 351.426 0.538 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001110992063 846010117 /nfs/dbraw/zinc/01/01/17/846010117.db2.gz MWRKVRACJVSQAM-XLMAVXFVSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001110992063 846010127 /nfs/dbraw/zinc/01/01/27/846010127.db2.gz MWRKVRACJVSQAM-XLMAVXFVSA-N 2 2 350.507 0.820 20 0 FCADLP 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CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111171797 846053139 /nfs/dbraw/zinc/05/31/39/846053139.db2.gz UHUOEHQXARTHMT-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825505 861634834 /nfs/dbraw/zinc/63/48/34/861634834.db2.gz UNKNJISFGHWWLE-QAPCUYQASA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)(C)[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825505 861634842 /nfs/dbraw/zinc/63/48/42/861634842.db2.gz UNKNJISFGHWWLE-QAPCUYQASA-N 2 2 350.463 0.593 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CC(F)(F)F ZINC001111274500 846074902 /nfs/dbraw/zinc/07/49/02/846074902.db2.gz FRJFXWTXZXRBEI-CABNGKKXSA-N 2 2 360.380 0.997 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CC(F)(F)F ZINC001111274500 846074910 /nfs/dbraw/zinc/07/49/10/846074910.db2.gz FRJFXWTXZXRBEI-CABNGKKXSA-N 2 2 360.380 0.997 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277346 846076315 /nfs/dbraw/zinc/07/63/15/846076315.db2.gz MYUPQRJPZGOCCZ-JJXSEGSLSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277346 846076320 /nfs/dbraw/zinc/07/63/20/846076320.db2.gz MYUPQRJPZGOCCZ-JJXSEGSLSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001111309405 846083711 /nfs/dbraw/zinc/08/37/11/846083711.db2.gz PNGPKMXLMZBYCT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001111309405 846083722 /nfs/dbraw/zinc/08/37/22/846083722.db2.gz PNGPKMXLMZBYCT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001111309405 846083731 /nfs/dbraw/zinc/08/37/31/846083731.db2.gz PNGPKMXLMZBYCT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001111309405 846083740 /nfs/dbraw/zinc/08/37/40/846083740.db2.gz PNGPKMXLMZBYCT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111310784 846083810 /nfs/dbraw/zinc/08/38/10/846083810.db2.gz WJFMZGJABBGAFZ-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111310784 846083814 /nfs/dbraw/zinc/08/38/14/846083814.db2.gz WJFMZGJABBGAFZ-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111310784 846083825 /nfs/dbraw/zinc/08/38/25/846083825.db2.gz WJFMZGJABBGAFZ-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111310784 846083833 /nfs/dbraw/zinc/08/38/33/846083833.db2.gz WJFMZGJABBGAFZ-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407966 846100492 /nfs/dbraw/zinc/10/04/92/846100492.db2.gz CCFSMYAOYLXXTH-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407966 846100498 /nfs/dbraw/zinc/10/04/98/846100498.db2.gz CCFSMYAOYLXXTH-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111466399 846118920 /nfs/dbraw/zinc/11/89/20/846118920.db2.gz UEVWFYPWRMAIAV-JJXSEGSLSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111466399 846118925 /nfs/dbraw/zinc/11/89/25/846118925.db2.gz UEVWFYPWRMAIAV-JJXSEGSLSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111466399 846118928 /nfs/dbraw/zinc/11/89/28/846118928.db2.gz UEVWFYPWRMAIAV-JJXSEGSLSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111466399 846118934 /nfs/dbraw/zinc/11/89/34/846118934.db2.gz UEVWFYPWRMAIAV-JJXSEGSLSA-N 2 2 357.520 0.483 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815987 846220641 /nfs/dbraw/zinc/22/06/41/846220641.db2.gz IBMCHECVXQDDDM-DAYGRLMNSA-N 2 2 350.463 0.331 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815987 846220648 /nfs/dbraw/zinc/22/06/48/846220648.db2.gz IBMCHECVXQDDDM-DAYGRLMNSA-N 2 2 350.463 0.331 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090648 846371248 /nfs/dbraw/zinc/37/12/48/846371248.db2.gz QPXHBQHTPOWNQH-QJPTWQEYSA-N 2 2 364.368 0.329 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131166 846407242 /nfs/dbraw/zinc/40/72/42/846407242.db2.gz MXMYURQUUZLYDZ-IJLUTSLNSA-N 2 2 361.368 0.305 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112131196 846407427 /nfs/dbraw/zinc/40/74/27/846407427.db2.gz OVNDNGZXAYCGIC-VXGBXAGGSA-N 2 2 361.368 0.259 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141057 846412307 /nfs/dbraw/zinc/41/23/07/846412307.db2.gz HFFKYEIKOPMZNF-YNEHKIRRSA-N 2 2 364.368 0.259 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112171550 846433024 /nfs/dbraw/zinc/43/30/24/846433024.db2.gz NWLBLLJRXGHFFT-YUSALJHKSA-N 2 2 361.368 0.408 20 0 FCADLP CC(=O)[C@@H](C)[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276901317 861679426 /nfs/dbraw/zinc/67/94/26/861679426.db2.gz PLOVKPRWTPFTLM-VQIMIIECSA-N 2 2 350.507 0.668 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503356 846509446 /nfs/dbraw/zinc/50/94/46/846509446.db2.gz MBXUHHCTAHMEKF-JZXOWHBKSA-N 2 2 350.463 0.499 20 0 FCADLP 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846761031 /nfs/dbraw/zinc/76/10/31/846761031.db2.gz JWZRFPHWAKMVFG-GFCCVEGCSA-N 2 2 352.464 0.104 20 0 FCADLP CC(=O)N1CCC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001116865712 846789357 /nfs/dbraw/zinc/78/93/57/846789357.db2.gz MDBFJNZDFDKTFC-GOSISDBHSA-N 2 2 352.523 0.631 20 0 FCADLP CC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001116865712 846789359 /nfs/dbraw/zinc/78/93/59/846789359.db2.gz MDBFJNZDFDKTFC-GOSISDBHSA-N 2 2 352.523 0.631 20 0 FCADLP C[C@@H]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001117141197 846907291 /nfs/dbraw/zinc/90/72/91/846907291.db2.gz RPXHMHUASJSPMJ-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144817 846910060 /nfs/dbraw/zinc/91/00/60/846910060.db2.gz KXQVFRVZQOWROV-WMLDXEAASA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144817 846910066 /nfs/dbraw/zinc/91/00/66/846910066.db2.gz KXQVFRVZQOWROV-WMLDXEAASA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001117740605 847163063 /nfs/dbraw/zinc/16/30/63/847163063.db2.gz PUMHPNIDSXJWBU-UHFFFAOYSA-N 2 2 359.536 0.732 20 0 FCADLP CO[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001117841794 847181856 /nfs/dbraw/zinc/18/18/56/847181856.db2.gz QJASMWYBQBHFFS-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CO[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001117841794 847181864 /nfs/dbraw/zinc/18/18/64/847181864.db2.gz QJASMWYBQBHFFS-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C[NH+]2CCC(CO)CC2)C[C@H](C)O1 ZINC001120592103 848250048 /nfs/dbraw/zinc/25/00/48/848250048.db2.gz BNPACBFJBBWLMS-SOLBZPMBSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C[NH+]2CCC(CO)CC2)C[C@H](C)O1 ZINC001120592103 848250051 /nfs/dbraw/zinc/25/00/51/848250051.db2.gz BNPACBFJBBWLMS-SOLBZPMBSA-N 2 2 353.507 0.791 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001120608061 848253874 /nfs/dbraw/zinc/25/38/74/848253874.db2.gz KZGLYLUAHPWNSA-SFHVURJKSA-N 2 2 355.523 0.944 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC001123475483 848595583 /nfs/dbraw/zinc/59/55/83/848595583.db2.gz ISJIHJFOXUNYML-GVDBMIGSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC001123475483 848595590 /nfs/dbraw/zinc/59/55/90/848595590.db2.gz ISJIHJFOXUNYML-GVDBMIGSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001123475483 848595599 /nfs/dbraw/zinc/59/55/99/848595599.db2.gz ISJIHJFOXUNYML-GVDBMIGSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001123475483 848595607 /nfs/dbraw/zinc/59/56/07/848595607.db2.gz ISJIHJFOXUNYML-GVDBMIGSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)C1 ZINC001123475483 848595620 /nfs/dbraw/zinc/59/56/20/848595620.db2.gz ISJIHJFOXUNYML-GVDBMIGSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001123475483 848595626 /nfs/dbraw/zinc/59/56/26/848595626.db2.gz ISJIHJFOXUNYML-GVDBMIGSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001123475483 848595633 /nfs/dbraw/zinc/59/56/33/848595633.db2.gz ISJIHJFOXUNYML-GVDBMIGSSA-N 2 2 355.527 0.277 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130151016 848953236 /nfs/dbraw/zinc/95/32/36/848953236.db2.gz GBPFSAYGILZTRP-NEPJUHHUSA-N 2 2 357.340 0.469 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC001130237994 848983127 /nfs/dbraw/zinc/98/31/27/848983127.db2.gz NOZZUCVOUJJJIF-IHRRRGAJSA-N 2 2 352.483 0.633 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C(C)C)n1 ZINC001130242122 848984424 /nfs/dbraw/zinc/98/44/24/848984424.db2.gz HBEDSGJLVQIZJT-KBPBESRZSA-N 2 2 352.483 0.633 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130244937 848986828 /nfs/dbraw/zinc/98/68/28/848986828.db2.gz RYJQPMOKUKMIBY-STQMWFEESA-N 2 2 356.446 0.194 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130244937 848986835 /nfs/dbraw/zinc/98/68/35/848986835.db2.gz RYJQPMOKUKMIBY-STQMWFEESA-N 2 2 356.446 0.194 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130249104 848988424 /nfs/dbraw/zinc/98/84/24/848988424.db2.gz KACWINABVIWFIT-KBPBESRZSA-N 2 2 350.467 0.389 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130249104 848988428 /nfs/dbraw/zinc/98/84/28/848988428.db2.gz KACWINABVIWFIT-KBPBESRZSA-N 2 2 350.467 0.389 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130248967 848988483 /nfs/dbraw/zinc/98/84/83/848988483.db2.gz CHXVHKSYVCNDBV-KBPBESRZSA-N 2 2 350.467 0.387 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130248967 848988490 /nfs/dbraw/zinc/98/84/90/848988490.db2.gz CHXVHKSYVCNDBV-KBPBESRZSA-N 2 2 350.467 0.387 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130820360 849049410 /nfs/dbraw/zinc/04/94/10/849049410.db2.gz UZUUNFFFKBEFIM-UONOGXRCSA-N 2 2 352.483 0.981 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130820360 849049413 /nfs/dbraw/zinc/04/94/13/849049413.db2.gz UZUUNFFFKBEFIM-UONOGXRCSA-N 2 2 352.483 0.981 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001131610392 849130448 /nfs/dbraw/zinc/13/04/48/849130448.db2.gz ONBKAJUPSVLGFI-AEFFLSMTSA-N 2 2 350.463 0.641 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NCC(F)(F)F ZINC001134045937 849171155 /nfs/dbraw/zinc/17/11/55/849171155.db2.gz RRABBPQTABWRQB-HBNTYKKESA-N 2 2 361.368 0.296 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001134049411 849171267 /nfs/dbraw/zinc/17/12/67/849171267.db2.gz GOIOKTZRCQGKNV-GHMZBOCLSA-N 2 2 361.368 0.298 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136522983 849226300 /nfs/dbraw/zinc/22/63/00/849226300.db2.gz GDVLHDZDBYELNZ-TVFCKZIOSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136522983 849226309 /nfs/dbraw/zinc/22/63/09/849226309.db2.gz GDVLHDZDBYELNZ-TVFCKZIOSA-N 2 2 353.507 0.933 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(CO)o3)CC[C@@H]2C1 ZINC001140681328 849367078 /nfs/dbraw/zinc/36/70/78/849367078.db2.gz ROPAWZUQXSVKRA-RHSMWYFYSA-N 2 2 351.447 0.383 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(CO)o3)CC[C@@H]2C1 ZINC001140681328 849367087 /nfs/dbraw/zinc/36/70/87/849367087.db2.gz ROPAWZUQXSVKRA-RHSMWYFYSA-N 2 2 351.447 0.383 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(CO)o3)CC[C@@H]2C1 ZINC001140681328 849367097 /nfs/dbraw/zinc/36/70/97/849367097.db2.gz ROPAWZUQXSVKRA-RHSMWYFYSA-N 2 2 351.447 0.383 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)o3)CC[C@@H]2C1 ZINC001140681328 849367107 /nfs/dbraw/zinc/36/71/07/849367107.db2.gz ROPAWZUQXSVKRA-RHSMWYFYSA-N 2 2 351.447 0.383 20 0 FCADLP C[NH+]1CC(C(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1 ZINC001142594421 849453014 /nfs/dbraw/zinc/45/30/14/849453014.db2.gz LANQZHVBJDUUDE-IEBWSBKVSA-N 2 2 350.507 0.336 20 0 FCADLP CC(C)OCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001143366569 849485412 /nfs/dbraw/zinc/48/54/12/849485412.db2.gz XGVGRYPFJXNVPN-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001143366569 849485417 /nfs/dbraw/zinc/48/54/17/849485417.db2.gz XGVGRYPFJXNVPN-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277718572 862028871 /nfs/dbraw/zinc/02/88/71/862028871.db2.gz GSHNXIUSWVJNLK-HOTGVXAUSA-N 2 2 350.463 0.499 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@@H+]2C1 ZINC001154930690 849822385 /nfs/dbraw/zinc/82/23/85/849822385.db2.gz AONMYCHAGQWURI-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@H+]2C1 ZINC001154930690 849822387 /nfs/dbraw/zinc/82/23/87/849822387.db2.gz AONMYCHAGQWURI-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCC[N@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930690 849822392 /nfs/dbraw/zinc/82/23/92/849822392.db2.gz AONMYCHAGQWURI-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCC[N@@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930690 849822396 /nfs/dbraw/zinc/82/23/96/849822396.db2.gz AONMYCHAGQWURI-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155373202 849849381 /nfs/dbraw/zinc/84/93/81/849849381.db2.gz NSTOETNKJCTVBS-LBPRGKRZSA-N 2 2 366.491 0.630 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCS(C)(=O)=O)CC[N@@H+]1C ZINC001157978149 850009182 /nfs/dbraw/zinc/00/91/82/850009182.db2.gz NKUGWVZZVSNRBT-BZUAXINKSA-N 2 2 359.536 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CCS(C)(=O)=O)CC[N@H+]1C ZINC001157978149 850009185 /nfs/dbraw/zinc/00/91/85/850009185.db2.gz NKUGWVZZVSNRBT-BZUAXINKSA-N 2 2 359.536 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CCS(C)(=O)=O)CC[NH+]1C ZINC001157978149 850009190 /nfs/dbraw/zinc/00/91/90/850009190.db2.gz NKUGWVZZVSNRBT-BZUAXINKSA-N 2 2 359.536 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCS(C)(=O)=O)CC[NH+]1C ZINC001157978149 850009194 /nfs/dbraw/zinc/00/91/94/850009194.db2.gz NKUGWVZZVSNRBT-BZUAXINKSA-N 2 2 359.536 0.684 20 0 FCADLP COC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090144 850017586 /nfs/dbraw/zinc/01/75/86/850017586.db2.gz KNBRZWFQAZHFKV-KLHDSHLOSA-N 2 2 350.463 0.833 20 0 FCADLP COC[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090144 850017597 /nfs/dbraw/zinc/01/75/97/850017597.db2.gz KNBRZWFQAZHFKV-KLHDSHLOSA-N 2 2 350.463 0.833 20 0 FCADLP COC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090144 850017600 /nfs/dbraw/zinc/01/76/00/850017600.db2.gz KNBRZWFQAZHFKV-KLHDSHLOSA-N 2 2 350.463 0.833 20 0 FCADLP COC[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090144 850017610 /nfs/dbraw/zinc/01/76/10/850017610.db2.gz KNBRZWFQAZHFKV-KLHDSHLOSA-N 2 2 350.463 0.833 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001159077688 850095189 /nfs/dbraw/zinc/09/51/89/850095189.db2.gz SBTDUVWBLJWGOC-MPGHIAIKSA-N 2 2 353.463 0.383 20 0 FCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159191533 850100086 /nfs/dbraw/zinc/10/00/86/850100086.db2.gz IACAXEKXXFCQPL-ZBFHGGJFSA-N 3 2 367.519 0.287 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159910807 850146443 /nfs/dbraw/zinc/14/64/43/850146443.db2.gz QEUSKJZPCOJYIR-SMSYFYOWSA-N 2 2 366.487 0.212 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159910808 850146629 /nfs/dbraw/zinc/14/66/29/850146629.db2.gz QEUSKJZPCOJYIR-WZYWGQKZSA-N 2 2 366.487 0.212 20 0 FCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C4([NH3+])CC4)CC[C@@H]3C2)cs1 ZINC001160334918 850167362 /nfs/dbraw/zinc/16/73/62/850167362.db2.gz IHEYWTDFUCXLOP-UKRRQHHQSA-N 2 2 350.488 0.992 20 0 FCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C4([NH3+])CC4)CC[C@@H]3C2)cs1 ZINC001160334918 850167367 /nfs/dbraw/zinc/16/73/67/850167367.db2.gz IHEYWTDFUCXLOP-UKRRQHHQSA-N 2 2 350.488 0.992 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794425 862099522 /nfs/dbraw/zinc/09/95/22/862099522.db2.gz ISISOVNIMGDBCW-AEFFLSMTSA-N 2 2 350.463 0.736 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794425 862099536 /nfs/dbraw/zinc/09/95/36/862099536.db2.gz ISISOVNIMGDBCW-AEFFLSMTSA-N 2 2 350.463 0.736 20 0 FCADLP [NH3+]C[C@]1(Nc2nc(Cl)nc(N3CCOCC3)n2)C[NH+]2CCC1CC2 ZINC001160510071 850178004 /nfs/dbraw/zinc/17/80/04/850178004.db2.gz FMYMJMAQDMVVMP-HNNXBMFYSA-N 2 2 353.858 0.197 20 0 FCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566720 850182010 /nfs/dbraw/zinc/18/20/10/850182010.db2.gz YMWMQADMFAJBBN-HNNXBMFYSA-N 3 2 362.503 0.226 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795370 862101662 /nfs/dbraw/zinc/10/16/62/862101662.db2.gz WJQVYXNBEQSEQE-WMZOPIPTSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795370 862101664 /nfs/dbraw/zinc/10/16/64/862101664.db2.gz WJQVYXNBEQSEQE-WMZOPIPTSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160862832 850210379 /nfs/dbraw/zinc/21/03/79/850210379.db2.gz WYUMTAQQNZZGHI-FRRDWIJNSA-N 2 2 355.439 0.092 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160862832 850210386 /nfs/dbraw/zinc/21/03/86/850210386.db2.gz WYUMTAQQNZZGHI-FRRDWIJNSA-N 2 2 355.439 0.092 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)C1 ZINC001161138590 850232192 /nfs/dbraw/zinc/23/21/92/850232192.db2.gz WQKNBTQDNKUGHS-KEYYUXOJSA-N 2 2 366.487 0.315 20 0 FCADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161478217 850262507 /nfs/dbraw/zinc/26/25/07/850262507.db2.gz LLNDSSWAVRBIQF-LSDHHAIUSA-N 2 2 360.449 0.952 20 0 FCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996146 850341816 /nfs/dbraw/zinc/34/18/16/850341816.db2.gz NMPQPXKMSIMPCM-ZACQAIPSSA-N 2 2 357.495 0.123 20 0 FCADLP c1nc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(N2CCSCC2)[nH+]1 ZINC001165344454 850436394 /nfs/dbraw/zinc/43/63/94/850436394.db2.gz DIXWYWNVAZPVJO-KRWDZBQOSA-N 2 2 365.503 0.615 20 0 FCADLP c1nc(N2CCSCC2)cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)[nH+]1 ZINC001165344454 850436404 /nfs/dbraw/zinc/43/64/04/850436404.db2.gz DIXWYWNVAZPVJO-KRWDZBQOSA-N 2 2 365.503 0.615 20 0 FCADLP CCOC(=O)c1cnc([S@@](C)=O)nc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165355743 850437485 /nfs/dbraw/zinc/43/74/85/850437485.db2.gz WRHZOABKVYRQAY-RUZDIDTESA-N 2 2 363.443 0.573 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCOC[C@H]1CCCO1 ZINC001166968957 850516609 /nfs/dbraw/zinc/51/66/09/850516609.db2.gz QWJZYBJIJXKPKM-BZUAXINKSA-N 2 2 350.463 0.815 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169130894 850606670 /nfs/dbraw/zinc/60/66/70/850606670.db2.gz PKMCPNDRTCAFLG-YYIAUSFCSA-N 2 2 351.491 0.998 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169130894 850606677 /nfs/dbraw/zinc/60/66/77/850606677.db2.gz PKMCPNDRTCAFLG-YYIAUSFCSA-N 2 2 351.491 0.998 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169319656 850612705 /nfs/dbraw/zinc/61/27/05/850612705.db2.gz HTDIXNATPVEFJI-FQUUOJAGSA-N 2 2 357.451 0.633 20 0 FCADLP C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360247 850683582 /nfs/dbraw/zinc/68/35/82/850683582.db2.gz YDHASQNDPIQZNG-BFHYXJOUSA-N 2 2 356.492 0.822 20 0 FCADLP C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360247 850683585 /nfs/dbraw/zinc/68/35/85/850683585.db2.gz YDHASQNDPIQZNG-BFHYXJOUSA-N 2 2 356.492 0.822 20 0 FCADLP COCCC[NH+]1CCC(N[C@@H](CCc2cn(C)c[nH+]2)C(=O)OC)CC1 ZINC001172250401 850708355 /nfs/dbraw/zinc/70/83/55/850708355.db2.gz XSPBVMNYDJJGDL-KRWDZBQOSA-N 2 2 352.479 0.985 20 0 FCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)C1 ZINC001177096291 850825411 /nfs/dbraw/zinc/82/54/11/850825411.db2.gz VEBCHCVHDNITSL-JSGCOSHPSA-N 2 2 351.451 0.913 20 0 FCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)C1 ZINC001177096291 850825419 /nfs/dbraw/zinc/82/54/19/850825419.db2.gz VEBCHCVHDNITSL-JSGCOSHPSA-N 2 2 351.451 0.913 20 0 FCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)C1 ZINC001177096291 850825421 /nfs/dbraw/zinc/82/54/21/850825421.db2.gz VEBCHCVHDNITSL-JSGCOSHPSA-N 2 2 351.451 0.913 20 0 FCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)C1 ZINC001177096291 850825428 /nfs/dbraw/zinc/82/54/28/850825428.db2.gz VEBCHCVHDNITSL-JSGCOSHPSA-N 2 2 351.451 0.913 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=S)NCC[NH+](C)C ZINC001278104669 862189252 /nfs/dbraw/zinc/18/92/52/862189252.db2.gz KJFFUXUZBVGZPE-HUUCEWRRSA-N 2 2 364.519 0.422 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179557393 850982498 /nfs/dbraw/zinc/98/24/98/850982498.db2.gz JHZMQEYOLCWFJT-YJNKXOJESA-N 2 2 368.503 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CCS(C)(=O)=O ZINC001181781601 851132223 /nfs/dbraw/zinc/13/22/23/851132223.db2.gz QXZIEFKPTTZPEO-VMUDFCTBSA-N 2 2 368.503 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCS(C)(=O)=O ZINC001181781601 851132228 /nfs/dbraw/zinc/13/22/28/851132228.db2.gz QXZIEFKPTTZPEO-VMUDFCTBSA-N 2 2 368.503 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001181781633 851132608 /nfs/dbraw/zinc/13/26/08/851132608.db2.gz UVDMLSFTXYPNOK-ATNYBXOESA-N 2 2 350.463 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001181781633 851132616 /nfs/dbraw/zinc/13/26/16/851132616.db2.gz UVDMLSFTXYPNOK-ATNYBXOESA-N 2 2 350.463 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1nncs1 ZINC001181885207 851138332 /nfs/dbraw/zinc/13/83/32/851138332.db2.gz SGVFXAKUGCUDGM-VMUDFCTBSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1nncs1 ZINC001181885207 851138339 /nfs/dbraw/zinc/13/83/39/851138339.db2.gz SGVFXAKUGCUDGM-VMUDFCTBSA-N 2 2 367.519 0.831 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326066 851548120 /nfs/dbraw/zinc/54/81/20/851548120.db2.gz IOYNXVFYLOTMGE-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326066 851548126 /nfs/dbraw/zinc/54/81/26/851548126.db2.gz IOYNXVFYLOTMGE-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187326066 851548133 /nfs/dbraw/zinc/54/81/33/851548133.db2.gz IOYNXVFYLOTMGE-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187326066 851548142 /nfs/dbraw/zinc/54/81/42/851548142.db2.gz IOYNXVFYLOTMGE-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117303 851753735 /nfs/dbraw/zinc/75/37/35/851753735.db2.gz ICAFOZXFYYCKBB-OWCLPIDISA-N 2 2 357.520 0.438 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117303 851753740 /nfs/dbraw/zinc/75/37/40/851753740.db2.gz ICAFOZXFYYCKBB-OWCLPIDISA-N 2 2 357.520 0.438 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117303 851753742 /nfs/dbraw/zinc/75/37/42/851753742.db2.gz ICAFOZXFYYCKBB-OWCLPIDISA-N 2 2 357.520 0.438 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117303 851753748 /nfs/dbraw/zinc/75/37/48/851753748.db2.gz ICAFOZXFYYCKBB-OWCLPIDISA-N 2 2 357.520 0.438 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001189151636 851760001 /nfs/dbraw/zinc/76/00/01/851760001.db2.gz NAJUVOXJLUEHQZ-HRCADAONSA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001189151636 851760007 /nfs/dbraw/zinc/76/00/07/851760007.db2.gz NAJUVOXJLUEHQZ-HRCADAONSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168304 851869649 /nfs/dbraw/zinc/86/96/49/851869649.db2.gz OSKAYRUWIDWSTE-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168304 851869657 /nfs/dbraw/zinc/86/96/57/851869657.db2.gz OSKAYRUWIDWSTE-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001190238712 851882300 /nfs/dbraw/zinc/88/23/00/851882300.db2.gz OSDAECWNUXWZNN-FRRDWIJNSA-N 2 2 366.491 0.350 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001190238712 851882301 /nfs/dbraw/zinc/88/23/01/851882301.db2.gz OSDAECWNUXWZNN-FRRDWIJNSA-N 2 2 366.491 0.350 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)Nc3nncs3)C2)CC[NH+]1C ZINC001190238712 851882304 /nfs/dbraw/zinc/88/23/04/851882304.db2.gz OSDAECWNUXWZNN-FRRDWIJNSA-N 2 2 366.491 0.350 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)Nc3nncs3)C2)CC[NH+]1C ZINC001190238712 851882305 /nfs/dbraw/zinc/88/23/05/851882305.db2.gz OSDAECWNUXWZNN-FRRDWIJNSA-N 2 2 366.491 0.350 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892878 852502714 /nfs/dbraw/zinc/50/27/14/852502714.db2.gz VKTAMPSGYCGVKB-USXIJHARSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892878 852502721 /nfs/dbraw/zinc/50/27/21/852502721.db2.gz VKTAMPSGYCGVKB-USXIJHARSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892878 852502729 /nfs/dbraw/zinc/50/27/29/852502729.db2.gz VKTAMPSGYCGVKB-USXIJHARSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892878 852502734 /nfs/dbraw/zinc/50/27/34/852502734.db2.gz VKTAMPSGYCGVKB-USXIJHARSA-N 2 2 350.463 0.827 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892921 852502830 /nfs/dbraw/zinc/50/28/30/852502830.db2.gz WCOUDLWRCKPWIP-BFHYXJOUSA-N 2 2 367.412 0.601 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892921 852502832 /nfs/dbraw/zinc/50/28/32/852502832.db2.gz WCOUDLWRCKPWIP-BFHYXJOUSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892921 852502833 /nfs/dbraw/zinc/50/28/33/852502833.db2.gz WCOUDLWRCKPWIP-BFHYXJOUSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892921 852502836 /nfs/dbraw/zinc/50/28/36/852502836.db2.gz WCOUDLWRCKPWIP-BFHYXJOUSA-N 2 2 367.412 0.601 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265079 852569537 /nfs/dbraw/zinc/56/95/37/852569537.db2.gz MMWSDDQNHZDPRM-RRFJBIMHSA-N 2 2 356.511 0.133 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265079 852569540 /nfs/dbraw/zinc/56/95/40/852569540.db2.gz MMWSDDQNHZDPRM-RRFJBIMHSA-N 2 2 356.511 0.133 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265079 852569543 /nfs/dbraw/zinc/56/95/43/852569543.db2.gz MMWSDDQNHZDPRM-RRFJBIMHSA-N 2 2 356.511 0.133 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001194908815 852669739 /nfs/dbraw/zinc/66/97/39/852669739.db2.gz IHRLEFKRWFMMNZ-MGPQQGTHSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001194908815 852669746 /nfs/dbraw/zinc/66/97/46/852669746.db2.gz IHRLEFKRWFMMNZ-MGPQQGTHSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001194909996 852671642 /nfs/dbraw/zinc/67/16/42/852671642.db2.gz WJSSOUUOOWJJGH-BZUAXINKSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001194909996 852671645 /nfs/dbraw/zinc/67/16/45/852671645.db2.gz WJSSOUUOOWJJGH-BZUAXINKSA-N 2 2 350.463 0.331 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001195214872 852725116 /nfs/dbraw/zinc/72/51/16/852725116.db2.gz OIIXOWCTVZVFQU-JHJVBQTASA-N 2 2 367.412 0.335 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001195214872 852725123 /nfs/dbraw/zinc/72/51/23/852725123.db2.gz OIIXOWCTVZVFQU-JHJVBQTASA-N 2 2 367.412 0.335 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001195214874 852725919 /nfs/dbraw/zinc/72/59/19/852725919.db2.gz OIIXOWCTVZVFQU-YNEHKIRRSA-N 2 2 367.412 0.335 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001195214874 852725925 /nfs/dbraw/zinc/72/59/25/852725925.db2.gz OIIXOWCTVZVFQU-YNEHKIRRSA-N 2 2 367.412 0.335 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1O ZINC001195859212 852836273 /nfs/dbraw/zinc/83/62/73/852836273.db2.gz GJCIWXDEAQGYSB-HZPDHXFCSA-N 2 2 367.877 0.888 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1O ZINC001195859212 852836281 /nfs/dbraw/zinc/83/62/81/852836281.db2.gz GJCIWXDEAQGYSB-HZPDHXFCSA-N 2 2 367.877 0.888 20 0 FCADLP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195859960 852836732 /nfs/dbraw/zinc/83/67/32/852836732.db2.gz PRYARDFOIYOVIG-HZPDHXFCSA-N 2 2 355.866 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195859960 852836737 /nfs/dbraw/zinc/83/67/37/852836737.db2.gz PRYARDFOIYOVIG-HZPDHXFCSA-N 2 2 355.866 0.962 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NCC3CCC3)CC2)CC[N@@H+]1C ZINC001195893632 852843379 /nfs/dbraw/zinc/84/33/79/852843379.db2.gz JQGJFOXIFYXCPE-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NCC3CCC3)CC2)CC[N@H+]1C ZINC001195893632 852843386 /nfs/dbraw/zinc/84/33/86/852843386.db2.gz JQGJFOXIFYXCPE-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)NCC3CCC3)CC2)CC[NH+]1C ZINC001195893632 852843395 /nfs/dbraw/zinc/84/33/95/852843395.db2.gz JQGJFOXIFYXCPE-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)NCC3CCC3)CC2)CC[NH+]1C ZINC001195893632 852843401 /nfs/dbraw/zinc/84/34/01/852843401.db2.gz JQGJFOXIFYXCPE-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196114793 852893766 /nfs/dbraw/zinc/89/37/66/852893766.db2.gz BWLPCHSQBJSUAT-IXDOHACOSA-N 2 2 351.495 0.510 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196114793 852893768 /nfs/dbraw/zinc/89/37/68/852893768.db2.gz BWLPCHSQBJSUAT-IXDOHACOSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196252106 852925086 /nfs/dbraw/zinc/92/50/86/852925086.db2.gz RXBJESPIABCRKW-KCYZZUKISA-N 2 2 350.463 0.500 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196252106 852925092 /nfs/dbraw/zinc/92/50/92/852925092.db2.gz RXBJESPIABCRKW-KCYZZUKISA-N 2 2 350.463 0.500 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCOCC(F)(F)F)CC2)O1 ZINC001196268224 852927975 /nfs/dbraw/zinc/92/79/75/852927975.db2.gz CVQLPUXXJVHEJJ-ZIAGYGMSSA-N 2 2 367.412 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCOCC(F)(F)F)CC2)O1 ZINC001196268224 852927982 /nfs/dbraw/zinc/92/79/82/852927982.db2.gz CVQLPUXXJVHEJJ-ZIAGYGMSSA-N 2 2 367.412 0.819 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCOCC(F)(F)F)CC2)O1 ZINC001196268224 852927988 /nfs/dbraw/zinc/92/79/88/852927988.db2.gz CVQLPUXXJVHEJJ-ZIAGYGMSSA-N 2 2 367.412 0.819 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCOCC(F)(F)F)CC2)O1 ZINC001196268224 852927997 /nfs/dbraw/zinc/92/79/97/852927997.db2.gz CVQLPUXXJVHEJJ-ZIAGYGMSSA-N 2 2 367.412 0.819 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1O ZINC001197001313 853047024 /nfs/dbraw/zinc/04/70/24/853047024.db2.gz ZIPRTXVXIZSUQN-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1O ZINC001197001313 853047033 /nfs/dbraw/zinc/04/70/33/853047033.db2.gz ZIPRTXVXIZSUQN-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001197001313 853047043 /nfs/dbraw/zinc/04/70/43/853047043.db2.gz ZIPRTXVXIZSUQN-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001197001313 853047054 /nfs/dbraw/zinc/04/70/54/853047054.db2.gz ZIPRTXVXIZSUQN-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)n1 ZINC001197528396 853126805 /nfs/dbraw/zinc/12/68/05/853126805.db2.gz JTHRCKHXQNHWRY-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)n1 ZINC001197528396 853126809 /nfs/dbraw/zinc/12/68/09/853126809.db2.gz JTHRCKHXQNHWRY-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C2)n1 ZINC001197528396 853126814 /nfs/dbraw/zinc/12/68/14/853126814.db2.gz JTHRCKHXQNHWRY-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C2)n1 ZINC001197528396 853126817 /nfs/dbraw/zinc/12/68/17/853126817.db2.gz JTHRCKHXQNHWRY-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001197724694 853154528 /nfs/dbraw/zinc/15/45/28/853154528.db2.gz WTCJMFLEFGCULP-BZUAXINKSA-N 2 2 356.511 0.314 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001197724694 853154537 /nfs/dbraw/zinc/15/45/37/853154537.db2.gz WTCJMFLEFGCULP-BZUAXINKSA-N 2 2 356.511 0.314 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1O ZINC001197783545 853162178 /nfs/dbraw/zinc/16/21/78/853162178.db2.gz OVQOXMLVHQWSRC-CHWSQXEVSA-N 2 2 361.895 0.641 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1O ZINC001197783545 853162180 /nfs/dbraw/zinc/16/21/80/853162180.db2.gz OVQOXMLVHQWSRC-CHWSQXEVSA-N 2 2 361.895 0.641 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001198699444 853303865 /nfs/dbraw/zinc/30/38/65/853303865.db2.gz RCOGYSKVPMTFNW-YNEHKIRRSA-N 2 2 353.385 0.068 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001198699444 853303871 /nfs/dbraw/zinc/30/38/71/853303871.db2.gz RCOGYSKVPMTFNW-YNEHKIRRSA-N 2 2 353.385 0.068 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369987 853414014 /nfs/dbraw/zinc/41/40/14/853414014.db2.gz GIRMIWSCMXITCD-HZPDHXFCSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369987 853414018 /nfs/dbraw/zinc/41/40/18/853414018.db2.gz GIRMIWSCMXITCD-HZPDHXFCSA-N 2 2 350.463 0.910 20 0 FCADLP CC[C@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001200478522 853500381 /nfs/dbraw/zinc/50/03/81/853500381.db2.gz XVEAJONFPADYKE-HNNXBMFYSA-N 2 2 369.579 0.830 20 0 FCADLP CC[C@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001200478522 853500386 /nfs/dbraw/zinc/50/03/86/853500386.db2.gz XVEAJONFPADYKE-HNNXBMFYSA-N 2 2 369.579 0.830 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919503 853752079 /nfs/dbraw/zinc/75/20/79/853752079.db2.gz WRQIKZZUIMNQJY-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919503 853752083 /nfs/dbraw/zinc/75/20/83/853752083.db2.gz WRQIKZZUIMNQJY-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207232522 853793148 /nfs/dbraw/zinc/79/31/48/853793148.db2.gz VWYFYWRGSCCZAH-RBSFLKMASA-N 2 2 365.515 0.538 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207232522 853793153 /nfs/dbraw/zinc/79/31/53/853793153.db2.gz VWYFYWRGSCCZAH-RBSFLKMASA-N 2 2 365.515 0.538 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734314 853852070 /nfs/dbraw/zinc/85/20/70/853852070.db2.gz SOWBBAWRJIKLES-HLLBOEOZSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734314 853852073 /nfs/dbraw/zinc/85/20/73/853852073.db2.gz SOWBBAWRJIKLES-HLLBOEOZSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207789734 853857907 /nfs/dbraw/zinc/85/79/07/853857907.db2.gz FKJXZDAQMUQYDA-CZUORRHYSA-N 2 2 354.451 0.449 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207789734 853857914 /nfs/dbraw/zinc/85/79/14/853857914.db2.gz FKJXZDAQMUQYDA-CZUORRHYSA-N 2 2 354.451 0.449 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208007699 853881582 /nfs/dbraw/zinc/88/15/82/853881582.db2.gz JENVDXIFVQRZSS-UKRRQHHQSA-N 2 2 356.492 0.453 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208007699 853881585 /nfs/dbraw/zinc/88/15/85/853881585.db2.gz JENVDXIFVQRZSS-UKRRQHHQSA-N 2 2 356.492 0.453 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074515 853892712 /nfs/dbraw/zinc/89/27/12/853892712.db2.gz XGXQUEXHZLVAOK-QGPMSJSTSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074515 853892713 /nfs/dbraw/zinc/89/27/13/853892713.db2.gz XGXQUEXHZLVAOK-QGPMSJSTSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637027 853961633 /nfs/dbraw/zinc/96/16/33/853961633.db2.gz CDRPSVLFWZHCFX-CHWSQXEVSA-N 2 2 352.483 0.023 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208637027 853961639 /nfs/dbraw/zinc/96/16/39/853961639.db2.gz CDRPSVLFWZHCFX-CHWSQXEVSA-N 2 2 352.483 0.023 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208637027 853961643 /nfs/dbraw/zinc/96/16/43/853961643.db2.gz CDRPSVLFWZHCFX-CHWSQXEVSA-N 2 2 352.483 0.023 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208637027 853961645 /nfs/dbraw/zinc/96/16/45/853961645.db2.gz CDRPSVLFWZHCFX-CHWSQXEVSA-N 2 2 352.483 0.023 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210033360 854071033 /nfs/dbraw/zinc/07/10/33/854071033.db2.gz NYHGUDKTJMZLII-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210033360 854071039 /nfs/dbraw/zinc/07/10/39/854071039.db2.gz NYHGUDKTJMZLII-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210033360 854071043 /nfs/dbraw/zinc/07/10/43/854071043.db2.gz NYHGUDKTJMZLII-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210033360 854071047 /nfs/dbraw/zinc/07/10/47/854071047.db2.gz NYHGUDKTJMZLII-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367779 854181953 /nfs/dbraw/zinc/18/19/53/854181953.db2.gz ZSQKSZUGIOZAIO-FRRDWIJNSA-N 2 2 366.428 0.830 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367779 854181954 /nfs/dbraw/zinc/18/19/54/854181954.db2.gz ZSQKSZUGIOZAIO-FRRDWIJNSA-N 2 2 366.428 0.830 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367779 854181955 /nfs/dbraw/zinc/18/19/55/854181955.db2.gz ZSQKSZUGIOZAIO-FRRDWIJNSA-N 2 2 366.428 0.830 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367779 854181957 /nfs/dbraw/zinc/18/19/57/854181957.db2.gz ZSQKSZUGIOZAIO-FRRDWIJNSA-N 2 2 366.428 0.830 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198590 854401377 /nfs/dbraw/zinc/40/13/77/854401377.db2.gz HPZUKUFCGGVKSA-RRFJBIMHSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198590 854401385 /nfs/dbraw/zinc/40/13/85/854401385.db2.gz HPZUKUFCGGVKSA-RRFJBIMHSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297955 854431344 /nfs/dbraw/zinc/43/13/44/854431344.db2.gz QJVBAIYRBUKFCG-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297955 854431352 /nfs/dbraw/zinc/43/13/52/854431352.db2.gz QJVBAIYRBUKFCG-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212297955 854431360 /nfs/dbraw/zinc/43/13/60/854431360.db2.gz QJVBAIYRBUKFCG-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212297955 854431368 /nfs/dbraw/zinc/43/13/68/854431368.db2.gz QJVBAIYRBUKFCG-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407923 854466308 /nfs/dbraw/zinc/46/63/08/854466308.db2.gz HXPHAWQFJZDXBZ-CHWSQXEVSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407923 854466314 /nfs/dbraw/zinc/46/63/14/854466314.db2.gz HXPHAWQFJZDXBZ-CHWSQXEVSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409606 854467356 /nfs/dbraw/zinc/46/73/56/854467356.db2.gz IUSZRWMOOHOZEN-OAGGEKHMSA-N 2 2 369.897 0.692 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409606 854467363 /nfs/dbraw/zinc/46/73/63/854467363.db2.gz IUSZRWMOOHOZEN-OAGGEKHMSA-N 2 2 369.897 0.692 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410056 854467797 /nfs/dbraw/zinc/46/77/97/854467797.db2.gz NGQDPLAHMLEXSW-BRWVUGGUSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410056 854467801 /nfs/dbraw/zinc/46/78/01/854467801.db2.gz NGQDPLAHMLEXSW-BRWVUGGUSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410916 854468345 /nfs/dbraw/zinc/46/83/45/854468345.db2.gz YTJRRJIRGLFWIU-INMHGKMJSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410916 854468352 /nfs/dbraw/zinc/46/83/52/854468352.db2.gz YTJRRJIRGLFWIU-INMHGKMJSA-N 2 2 354.495 0.009 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC)[NH+](C)C ZINC001212460266 854488640 /nfs/dbraw/zinc/48/86/40/854488640.db2.gz FHDUHFDNXAZZRG-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC)[NH+](C)C ZINC001212460266 854488641 /nfs/dbraw/zinc/48/86/41/854488641.db2.gz FHDUHFDNXAZZRG-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC)[NH+](C)C ZINC001212461171 854489254 /nfs/dbraw/zinc/48/92/54/854489254.db2.gz RORDYWIUZPSOIJ-BRWVUGGUSA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC)[NH+](C)C ZINC001212461171 854489257 /nfs/dbraw/zinc/48/92/57/854489257.db2.gz RORDYWIUZPSOIJ-BRWVUGGUSA-N 2 2 350.463 0.746 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483393 854497212 /nfs/dbraw/zinc/49/72/12/854497212.db2.gz IBEANSHHQMFPAB-NWANDNLSSA-N 2 2 354.495 0.199 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483393 854497213 /nfs/dbraw/zinc/49/72/13/854497213.db2.gz IBEANSHHQMFPAB-NWANDNLSSA-N 2 2 354.495 0.199 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483393 854497214 /nfs/dbraw/zinc/49/72/14/854497214.db2.gz IBEANSHHQMFPAB-NWANDNLSSA-N 2 2 354.495 0.199 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483393 854497215 /nfs/dbraw/zinc/49/72/15/854497215.db2.gz IBEANSHHQMFPAB-NWANDNLSSA-N 2 2 354.495 0.199 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241946 854548146 /nfs/dbraw/zinc/54/81/46/854548146.db2.gz WCXUZBIUGYQZHU-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241946 854548150 /nfs/dbraw/zinc/54/81/50/854548150.db2.gz WCXUZBIUGYQZHU-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327534 854574464 /nfs/dbraw/zinc/57/44/64/854574464.db2.gz MJIJLGVBQSNKET-CAOSSQGBSA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327534 854574468 /nfs/dbraw/zinc/57/44/68/854574468.db2.gz MJIJLGVBQSNKET-CAOSSQGBSA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001213327534 854574474 /nfs/dbraw/zinc/57/44/74/854574474.db2.gz MJIJLGVBQSNKET-CAOSSQGBSA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001213327534 854574477 /nfs/dbraw/zinc/57/44/77/854574477.db2.gz MJIJLGVBQSNKET-CAOSSQGBSA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340145 854581573 /nfs/dbraw/zinc/58/15/73/854581573.db2.gz RZZIRMILCOBWLT-HUUCEWRRSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213340145 854581578 /nfs/dbraw/zinc/58/15/78/854581578.db2.gz RZZIRMILCOBWLT-HUUCEWRRSA-N 2 2 354.495 0.010 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213346343 854583002 /nfs/dbraw/zinc/58/30/02/854583002.db2.gz IQCJGPWQOYSZLJ-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)c1 ZINC001213346343 854583012 /nfs/dbraw/zinc/58/30/12/854583012.db2.gz IQCJGPWQOYSZLJ-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440551 854616909 /nfs/dbraw/zinc/61/69/09/854616909.db2.gz UIPUYBRYVXOGHG-DJIMGWMZSA-N 2 2 350.463 0.606 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440551 854616911 /nfs/dbraw/zinc/61/69/11/854616911.db2.gz UIPUYBRYVXOGHG-DJIMGWMZSA-N 2 2 350.463 0.606 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446175 854619967 /nfs/dbraw/zinc/61/99/67/854619967.db2.gz CRYBQBRCEPWAPN-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446175 854619968 /nfs/dbraw/zinc/61/99/68/854619968.db2.gz CRYBQBRCEPWAPN-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446175 854619969 /nfs/dbraw/zinc/61/99/69/854619969.db2.gz CRYBQBRCEPWAPN-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446175 854619970 /nfs/dbraw/zinc/61/99/70/854619970.db2.gz CRYBQBRCEPWAPN-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580675 854673951 /nfs/dbraw/zinc/67/39/51/854673951.db2.gz FWHINYOGKIIQNK-IAGOWNOFSA-N 2 2 355.479 0.093 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580675 854673959 /nfs/dbraw/zinc/67/39/59/854673959.db2.gz FWHINYOGKIIQNK-IAGOWNOFSA-N 2 2 355.479 0.093 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580731 854674530 /nfs/dbraw/zinc/67/45/30/854674530.db2.gz HOAJCJYTRKJMCR-CHWSQXEVSA-N 2 2 353.385 0.477 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580731 854674535 /nfs/dbraw/zinc/67/45/35/854674535.db2.gz HOAJCJYTRKJMCR-CHWSQXEVSA-N 2 2 353.385 0.477 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213599002 854680333 /nfs/dbraw/zinc/68/03/33/854680333.db2.gz PQBLJBGQPFBMJM-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213599002 854680345 /nfs/dbraw/zinc/68/03/45/854680345.db2.gz PQBLJBGQPFBMJM-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213599302 854680769 /nfs/dbraw/zinc/68/07/69/854680769.db2.gz ZPRRVGCFRSLRFL-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213599302 854680770 /nfs/dbraw/zinc/68/07/70/854680770.db2.gz ZPRRVGCFRSLRFL-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1OC ZINC001213676203 854712221 /nfs/dbraw/zinc/71/22/21/854712221.db2.gz VMVNFIVVGHRIRC-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1OC ZINC001213676203 854712227 /nfs/dbraw/zinc/71/22/27/854712227.db2.gz VMVNFIVVGHRIRC-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001213676203 854712237 /nfs/dbraw/zinc/71/22/37/854712237.db2.gz VMVNFIVVGHRIRC-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001213676203 854712242 /nfs/dbraw/zinc/71/22/42/854712242.db2.gz VMVNFIVVGHRIRC-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719078 854733530 /nfs/dbraw/zinc/73/35/30/854733530.db2.gz MLPWSMNBCXAQTF-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719078 854733535 /nfs/dbraw/zinc/73/35/35/854733535.db2.gz MLPWSMNBCXAQTF-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213719078 854733540 /nfs/dbraw/zinc/73/35/40/854733540.db2.gz MLPWSMNBCXAQTF-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213719078 854733544 /nfs/dbraw/zinc/73/35/44/854733544.db2.gz MLPWSMNBCXAQTF-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213719235 854733744 /nfs/dbraw/zinc/73/37/44/854733744.db2.gz SRXUOPGTQRVBAG-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213719235 854733748 /nfs/dbraw/zinc/73/37/48/854733748.db2.gz SRXUOPGTQRVBAG-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001213719235 854733751 /nfs/dbraw/zinc/73/37/51/854733751.db2.gz SRXUOPGTQRVBAG-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001213719235 854733754 /nfs/dbraw/zinc/73/37/54/854733754.db2.gz SRXUOPGTQRVBAG-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765124 854759035 /nfs/dbraw/zinc/75/90/35/854759035.db2.gz VGUBGZSOSHPLML-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765124 854759047 /nfs/dbraw/zinc/75/90/47/854759047.db2.gz VGUBGZSOSHPLML-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765124 854759053 /nfs/dbraw/zinc/75/90/53/854759053.db2.gz VGUBGZSOSHPLML-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765124 854759060 /nfs/dbraw/zinc/75/90/60/854759060.db2.gz VGUBGZSOSHPLML-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213801854 854773911 /nfs/dbraw/zinc/77/39/11/854773911.db2.gz FJNDBHRGVWQIEZ-IAGOWNOFSA-N 2 2 352.479 0.985 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213801854 854773918 /nfs/dbraw/zinc/77/39/18/854773918.db2.gz FJNDBHRGVWQIEZ-IAGOWNOFSA-N 2 2 352.479 0.985 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863330 854797657 /nfs/dbraw/zinc/79/76/57/854797657.db2.gz KDOYLEAFLXIYJE-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863330 854797664 /nfs/dbraw/zinc/79/76/64/854797664.db2.gz KDOYLEAFLXIYJE-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)c1 ZINC001213927601 854829239 /nfs/dbraw/zinc/82/92/39/854829239.db2.gz RLZJNHCQSXJOJS-IAGOWNOFSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)c1 ZINC001213927601 854829245 /nfs/dbraw/zinc/82/92/45/854829245.db2.gz RLZJNHCQSXJOJS-IAGOWNOFSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)c1 ZINC001213927601 854829251 /nfs/dbraw/zinc/82/92/51/854829251.db2.gz RLZJNHCQSXJOJS-IAGOWNOFSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)c1 ZINC001213927601 854829255 /nfs/dbraw/zinc/82/92/55/854829255.db2.gz RLZJNHCQSXJOJS-IAGOWNOFSA-N 2 2 350.463 0.746 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929866 854830138 /nfs/dbraw/zinc/83/01/38/854830138.db2.gz OVVQYFUISKDXKA-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929866 854830142 /nfs/dbraw/zinc/83/01/42/854830142.db2.gz OVVQYFUISKDXKA-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929866 854830148 /nfs/dbraw/zinc/83/01/48/854830148.db2.gz OVVQYFUISKDXKA-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929866 854830152 /nfs/dbraw/zinc/83/01/52/854830152.db2.gz OVVQYFUISKDXKA-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975367 854850442 /nfs/dbraw/zinc/85/04/42/854850442.db2.gz FAUPQERESFSRHW-GVDBMIGSSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975367 854850450 /nfs/dbraw/zinc/85/04/50/854850450.db2.gz FAUPQERESFSRHW-GVDBMIGSSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975366 854850692 /nfs/dbraw/zinc/85/06/92/854850692.db2.gz FAUPQERESFSRHW-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975366 854850695 /nfs/dbraw/zinc/85/06/95/854850695.db2.gz FAUPQERESFSRHW-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C2)c[nH+]1 ZINC001214946323 855038862 /nfs/dbraw/zinc/03/88/62/855038862.db2.gz VNKXVELOLRYOMZ-TZMCWYRMSA-N 2 2 356.492 0.408 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)CS(C)(=O)=O ZINC001216393080 855198711 /nfs/dbraw/zinc/19/87/11/855198711.db2.gz VTVZBGTZWVGTCI-GZBFAFLISA-N 2 2 356.492 0.080 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC001216570244 855213257 /nfs/dbraw/zinc/21/32/57/855213257.db2.gz ZYKKZWVHVHYVSA-UKPHBRMFSA-N 2 2 352.479 0.731 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802867 855246811 /nfs/dbraw/zinc/24/68/11/855246811.db2.gz JZCRSVVWNMLBEG-KBAYOESNSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCOC[C@@H]1CCCCO1 ZINC001217010184 855274938 /nfs/dbraw/zinc/27/49/38/855274938.db2.gz JEWUCLVGTSORMK-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001217010227 855275133 /nfs/dbraw/zinc/27/51/33/855275133.db2.gz LGFGLVJOEFDRSQ-GRYCIOLGSA-N 2 2 361.368 0.387 20 0 FCADLP CCC/C=C\CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590158 855350992 /nfs/dbraw/zinc/35/09/92/855350992.db2.gz FHIKLFXBJLZTOI-NQVSYGGRSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C\CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590158 855351000 /nfs/dbraw/zinc/35/10/00/855351000.db2.gz FHIKLFXBJLZTOI-NQVSYGGRSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590158 855351009 /nfs/dbraw/zinc/35/10/09/855351009.db2.gz FHIKLFXBJLZTOI-NQVSYGGRSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C\CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590158 855351018 /nfs/dbraw/zinc/35/10/18/855351018.db2.gz FHIKLFXBJLZTOI-NQVSYGGRSA-N 2 2 351.491 0.975 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(C)C)C[C@@H]21 ZINC001218306331 855413118 /nfs/dbraw/zinc/41/31/18/855413118.db2.gz MHJRPMJYEPVJMK-DLBZAZTESA-N 2 2 350.463 0.776 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(C)C)C[C@@H]21 ZINC001218306331 855413127 /nfs/dbraw/zinc/41/31/27/855413127.db2.gz MHJRPMJYEPVJMK-DLBZAZTESA-N 2 2 350.463 0.776 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218339821 855415882 /nfs/dbraw/zinc/41/58/82/855415882.db2.gz AJAKAZWXQRJZRV-OWCLPIDISA-N 2 2 350.463 0.425 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218339821 855415890 /nfs/dbraw/zinc/41/58/90/855415890.db2.gz AJAKAZWXQRJZRV-OWCLPIDISA-N 2 2 350.463 0.425 20 0 FCADLP Nc1ccc(I)c(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218506115 855431329 /nfs/dbraw/zinc/43/13/29/855431329.db2.gz UKMKQTZOSVEFNK-UHFFFAOYSA-N 2 2 361.187 0.288 20 0 FCADLP Nc1ccc(I)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218505598 855431407 /nfs/dbraw/zinc/43/14/07/855431407.db2.gz IKNNJFNQHNQPMN-QMMMGPOBSA-N 2 2 372.170 0.500 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557686 855439801 /nfs/dbraw/zinc/43/98/01/855439801.db2.gz HNFIRPIZMZHIIZ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557686 855439805 /nfs/dbraw/zinc/43/98/05/855439805.db2.gz HNFIRPIZMZHIIZ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218567451 855441604 /nfs/dbraw/zinc/44/16/04/855441604.db2.gz QXKKWGGDIDAZOS-MRVPVSSYSA-N 2 2 350.180 0.145 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ncc(Br)cc1OC(F)F ZINC001218597930 855446594 /nfs/dbraw/zinc/44/65/94/855446594.db2.gz AAIBRXSTFISHFU-BQBZGAKWSA-N 2 2 351.151 0.931 20 0 FCADLP NC(=O)c1cc(Br)ccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218843700 855485034 /nfs/dbraw/zinc/48/50/34/855485034.db2.gz LQFXWVNVFFKXAO-SNVBAGLBSA-N 2 2 352.192 0.780 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[NH2+]CC[C@H]1O ZINC001219454778 855677645 /nfs/dbraw/zinc/67/76/45/855677645.db2.gz YHYHQXWMXBXVIK-RBSFLKMASA-N 2 2 355.385 0.972 20 0 FCADLP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC001219564097 855715594 /nfs/dbraw/zinc/71/55/94/855715594.db2.gz RKOLBGHHPYIDTH-OAHLLOKOSA-N 2 2 361.471 0.376 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219731589 855790188 /nfs/dbraw/zinc/79/01/88/855790188.db2.gz CEKWHAXZSCSZCB-OAGGEKHMSA-N 2 2 355.458 0.070 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219731589 855790193 /nfs/dbraw/zinc/79/01/93/855790193.db2.gz CEKWHAXZSCSZCB-OAGGEKHMSA-N 2 2 355.458 0.070 20 0 FCADLP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800311 855819904 /nfs/dbraw/zinc/81/99/04/855819904.db2.gz LGVYMEXMQGRVFV-IKGGRYGDSA-N 2 2 351.495 0.555 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800311 855819908 /nfs/dbraw/zinc/81/99/08/855819908.db2.gz LGVYMEXMQGRVFV-IKGGRYGDSA-N 2 2 351.495 0.555 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cs1 ZINC001219802619 855820745 /nfs/dbraw/zinc/82/07/45/855820745.db2.gz WYJYCUMKBIIVJY-CABCVRRESA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cs1 ZINC001219802619 855820750 /nfs/dbraw/zinc/82/07/50/855820750.db2.gz WYJYCUMKBIIVJY-CABCVRRESA-N 2 2 352.504 0.640 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805294 855823026 /nfs/dbraw/zinc/82/30/26/855823026.db2.gz AKVZUNMMCHUGCU-AGIUHOORSA-N 2 2 353.385 0.067 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805294 855823034 /nfs/dbraw/zinc/82/30/34/855823034.db2.gz AKVZUNMMCHUGCU-AGIUHOORSA-N 2 2 353.385 0.067 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001219848130 855844176 /nfs/dbraw/zinc/84/41/76/855844176.db2.gz HDDGVINVSUJKTH-AGIUHOORSA-N 2 2 355.401 0.313 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001219848130 855844188 /nfs/dbraw/zinc/84/41/88/855844188.db2.gz HDDGVINVSUJKTH-AGIUHOORSA-N 2 2 355.401 0.313 20 0 FCADLP Cc1nn(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c(C)c1Br ZINC001219997316 855911099 /nfs/dbraw/zinc/91/10/99/855911099.db2.gz RWZRERGHLMXAAU-RISCZKNCSA-N 2 2 356.268 0.330 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCC([NH3+])CC1 ZINC001220039513 855929819 /nfs/dbraw/zinc/92/98/19/855929819.db2.gz HZCKRIVKZNSOLY-ASSKVSBWSA-N 3 2 352.479 0.034 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001220057881 855937598 /nfs/dbraw/zinc/93/75/98/855937598.db2.gz JYKFDXOHBZZYRF-IJEWVQPXSA-N 2 2 361.433 0.304 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001220057881 855937600 /nfs/dbraw/zinc/93/76/00/855937600.db2.gz JYKFDXOHBZZYRF-IJEWVQPXSA-N 2 2 361.433 0.304 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220101017 855961941 /nfs/dbraw/zinc/96/19/41/855961941.db2.gz UEDAWGUZMHHYBN-OLZOCXBDSA-N 2 2 364.368 0.404 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220101017 855961944 /nfs/dbraw/zinc/96/19/44/855961944.db2.gz UEDAWGUZMHHYBN-OLZOCXBDSA-N 2 2 364.368 0.404 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220188682 856000751 /nfs/dbraw/zinc/00/07/51/856000751.db2.gz GMLGWRGDIFYMKL-KGLIPLIRSA-N 2 2 354.401 0.034 20 0 FCADLP COc1ccc(Cl)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220277057 856040634 /nfs/dbraw/zinc/04/06/34/856040634.db2.gz PRYARDFOIYOVIG-CVEARBPZSA-N 2 2 355.866 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220277057 856040640 /nfs/dbraw/zinc/04/06/40/856040640.db2.gz PRYARDFOIYOVIG-CVEARBPZSA-N 2 2 355.866 0.962 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328441 856068190 /nfs/dbraw/zinc/06/81/90/856068190.db2.gz GFLPDKMVIMPYAW-BMFZPTHFSA-N 2 2 350.463 0.808 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328441 856068199 /nfs/dbraw/zinc/06/81/99/856068199.db2.gz GFLPDKMVIMPYAW-BMFZPTHFSA-N 2 2 350.463 0.808 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220344928 856076598 /nfs/dbraw/zinc/07/65/98/856076598.db2.gz LKFRVMLSUYBQFU-PMPSAXMXSA-N 2 2 356.511 0.135 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220344928 856076608 /nfs/dbraw/zinc/07/66/08/856076608.db2.gz LKFRVMLSUYBQFU-PMPSAXMXSA-N 2 2 356.511 0.135 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220344927 856077004 /nfs/dbraw/zinc/07/70/04/856077004.db2.gz LKFRVMLSUYBQFU-OAGGEKHMSA-N 2 2 356.511 0.135 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220344927 856077011 /nfs/dbraw/zinc/07/70/11/856077011.db2.gz LKFRVMLSUYBQFU-OAGGEKHMSA-N 2 2 356.511 0.135 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359113 856082824 /nfs/dbraw/zinc/08/28/24/856082824.db2.gz AMLWERRZSINRDT-SJORKVTESA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359113 856082835 /nfs/dbraw/zinc/08/28/35/856082835.db2.gz AMLWERRZSINRDT-SJORKVTESA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359113 856082841 /nfs/dbraw/zinc/08/28/41/856082841.db2.gz AMLWERRZSINRDT-SJORKVTESA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359113 856082846 /nfs/dbraw/zinc/08/28/46/856082846.db2.gz AMLWERRZSINRDT-SJORKVTESA-N 2 2 355.523 0.942 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220375710 856095034 /nfs/dbraw/zinc/09/50/34/856095034.db2.gz BSJSKMWAUAYRNL-PMPSAXMXSA-N 2 2 356.511 0.133 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220375710 856095035 /nfs/dbraw/zinc/09/50/35/856095035.db2.gz BSJSKMWAUAYRNL-PMPSAXMXSA-N 2 2 356.511 0.133 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O)[NH+](C)C ZINC001220377573 856095766 /nfs/dbraw/zinc/09/57/66/856095766.db2.gz DSCKESRJOZRNNG-ILXRZTDVSA-N 2 2 363.487 0.693 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O)[NH+](C)C ZINC001220377573 856095773 /nfs/dbraw/zinc/09/57/73/856095773.db2.gz DSCKESRJOZRNNG-ILXRZTDVSA-N 2 2 363.487 0.693 20 0 FCADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436372 856124706 /nfs/dbraw/zinc/12/47/06/856124706.db2.gz UOQVTVOAWUIPQM-INIZCTEOSA-N 2 2 351.422 0.997 20 0 FCADLP CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001220489754 856152232 /nfs/dbraw/zinc/15/22/32/856152232.db2.gz FRADDNBRMBKPLM-HNNXBMFYSA-N 2 2 350.444 0.400 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001220547945 856178536 /nfs/dbraw/zinc/17/85/36/856178536.db2.gz OTFZYVHBCLIZBB-SJORKVTESA-N 2 2 367.515 0.912 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001220547945 856178546 /nfs/dbraw/zinc/17/85/46/856178546.db2.gz OTFZYVHBCLIZBB-SJORKVTESA-N 2 2 367.515 0.912 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547673 856178685 /nfs/dbraw/zinc/17/86/85/856178685.db2.gz BKRRXXOVIRKFGF-SJORKVTESA-N 2 2 357.495 0.075 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547673 856178681 /nfs/dbraw/zinc/17/86/81/856178681.db2.gz BKRRXXOVIRKFGF-SJORKVTESA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220574437 856190641 /nfs/dbraw/zinc/19/06/41/856190641.db2.gz BBMOAYAPIJZDKL-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220574437 856190645 /nfs/dbraw/zinc/19/06/45/856190645.db2.gz BBMOAYAPIJZDKL-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC001220605717 856203659 /nfs/dbraw/zinc/20/36/59/856203659.db2.gz WLXGYSPTUZOLOF-OLZOCXBDSA-N 3 2 352.236 0.858 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220683162 856241009 /nfs/dbraw/zinc/24/10/09/856241009.db2.gz MBSOQOFYVKMLGL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220683162 856241018 /nfs/dbraw/zinc/24/10/18/856241018.db2.gz MBSOQOFYVKMLGL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220683162 856241022 /nfs/dbraw/zinc/24/10/22/856241022.db2.gz MBSOQOFYVKMLGL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220683162 856241028 /nfs/dbraw/zinc/24/10/28/856241028.db2.gz MBSOQOFYVKMLGL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220747039 856276577 /nfs/dbraw/zinc/27/65/77/856276577.db2.gz WTCJMFLEFGCULP-OAGGEKHMSA-N 2 2 356.511 0.314 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001220747039 856276588 /nfs/dbraw/zinc/27/65/88/856276588.db2.gz WTCJMFLEFGCULP-OAGGEKHMSA-N 2 2 356.511 0.314 20 0 FCADLP Cc1ccc(F)c(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768490 856289732 /nfs/dbraw/zinc/28/97/32/856289732.db2.gz OPULNALOZHYCRI-SJORKVTESA-N 2 2 353.438 0.374 20 0 FCADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220768490 856289740 /nfs/dbraw/zinc/28/97/40/856289740.db2.gz OPULNALOZHYCRI-SJORKVTESA-N 2 2 353.438 0.374 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220807590 856311062 /nfs/dbraw/zinc/31/10/62/856311062.db2.gz YDIBZHLCZBGXHC-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220807590 856311074 /nfs/dbraw/zinc/31/10/74/856311074.db2.gz YDIBZHLCZBGXHC-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@@H]1O ZINC001220826116 856326792 /nfs/dbraw/zinc/32/67/92/856326792.db2.gz NIKXBLJEMSUBQG-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@@H]1O ZINC001220826116 856326803 /nfs/dbraw/zinc/32/68/03/856326803.db2.gz NIKXBLJEMSUBQG-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@@H]1O ZINC001220826116 856326813 /nfs/dbraw/zinc/32/68/13/856326813.db2.gz NIKXBLJEMSUBQG-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@@H]1O ZINC001220826116 856326829 /nfs/dbraw/zinc/32/68/29/856326829.db2.gz NIKXBLJEMSUBQG-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[NH2+]C1 ZINC001220851354 856336219 /nfs/dbraw/zinc/33/62/19/856336219.db2.gz SFHAUTLJNPCFHG-NSHDSACASA-N 2 2 356.220 0.470 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220888643 856358496 /nfs/dbraw/zinc/35/84/96/856358496.db2.gz RSHQDAPISWKFSC-XHSDSOJGSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220888643 856358508 /nfs/dbraw/zinc/35/85/08/856358508.db2.gz RSHQDAPISWKFSC-XHSDSOJGSA-N 2 2 350.463 0.329 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)c1 ZINC001220910996 856370383 /nfs/dbraw/zinc/37/03/83/856370383.db2.gz BVVSONWKLPSRFL-DYVFJYSZSA-N 3 2 350.438 0.604 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001279247114 862788948 /nfs/dbraw/zinc/78/89/48/862788948.db2.gz QVDVALNSOSVLLQ-IBGZPJMESA-N 2 2 352.523 0.585 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001279247114 862788959 /nfs/dbraw/zinc/78/89/59/862788959.db2.gz QVDVALNSOSVLLQ-IBGZPJMESA-N 2 2 352.523 0.585 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001279247114 862788967 /nfs/dbraw/zinc/78/89/67/862788967.db2.gz QVDVALNSOSVLLQ-IBGZPJMESA-N 2 2 352.523 0.585 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001279247114 862788974 /nfs/dbraw/zinc/78/89/74/862788974.db2.gz QVDVALNSOSVLLQ-IBGZPJMESA-N 2 2 352.523 0.585 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)s1 ZINC001220986140 856408599 /nfs/dbraw/zinc/40/85/99/856408599.db2.gz UJMWSACHFNKMLS-WQVCFCJDSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)s1 ZINC001220986140 856408609 /nfs/dbraw/zinc/40/86/09/856408609.db2.gz UJMWSACHFNKMLS-WQVCFCJDSA-N 2 2 368.503 0.081 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C ZINC001221257098 856531213 /nfs/dbraw/zinc/53/12/13/856531213.db2.gz XTOZSXFOILTCFY-KWCYVHTRSA-N 2 2 354.451 0.541 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537883 856598614 /nfs/dbraw/zinc/59/86/14/856598614.db2.gz OFSFZWHIHOJHHX-BRWVUGGUSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537883 856598620 /nfs/dbraw/zinc/59/86/20/856598620.db2.gz OFSFZWHIHOJHHX-BRWVUGGUSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221537883 856598626 /nfs/dbraw/zinc/59/86/26/856598626.db2.gz OFSFZWHIHOJHHX-BRWVUGGUSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221537883 856598634 /nfs/dbraw/zinc/59/86/34/856598634.db2.gz OFSFZWHIHOJHHX-BRWVUGGUSA-N 2 2 350.507 0.917 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537545 856598829 /nfs/dbraw/zinc/59/88/29/856598829.db2.gz GGXMAOVDHXCNOE-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537545 856598832 /nfs/dbraw/zinc/59/88/32/856598832.db2.gz GGXMAOVDHXCNOE-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221537545 856598837 /nfs/dbraw/zinc/59/88/37/856598837.db2.gz GGXMAOVDHXCNOE-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221537545 856598841 /nfs/dbraw/zinc/59/88/41/856598841.db2.gz GGXMAOVDHXCNOE-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616754 856626092 /nfs/dbraw/zinc/62/60/92/856626092.db2.gz UASVKGOYSDLTSL-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616754 856626094 /nfs/dbraw/zinc/62/60/94/856626094.db2.gz UASVKGOYSDLTSL-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(F)F)C[C@H]32)O1 ZINC001221640302 856634846 /nfs/dbraw/zinc/63/48/46/856634846.db2.gz LFMXPKGNRIDKNX-KBUPBQIOSA-N 2 2 361.433 0.520 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(F)F)C[C@H]32)O1 ZINC001221640302 856634849 /nfs/dbraw/zinc/63/48/49/856634849.db2.gz LFMXPKGNRIDKNX-KBUPBQIOSA-N 2 2 361.433 0.520 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC(F)F)C[C@H]32)O1 ZINC001221640302 856634850 /nfs/dbraw/zinc/63/48/50/856634850.db2.gz LFMXPKGNRIDKNX-KBUPBQIOSA-N 2 2 361.433 0.520 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC(F)F)C[C@H]32)O1 ZINC001221640302 856634855 /nfs/dbraw/zinc/63/48/55/856634855.db2.gz LFMXPKGNRIDKNX-KBUPBQIOSA-N 2 2 361.433 0.520 20 0 FCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)[nH]1 ZINC001279304100 862819623 /nfs/dbraw/zinc/81/96/23/862819623.db2.gz WYHSSQZOVUXAPG-SJORKVTESA-N 2 2 350.463 0.638 20 0 FCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)[nH]1 ZINC001279304100 862819632 /nfs/dbraw/zinc/81/96/32/862819632.db2.gz WYHSSQZOVUXAPG-SJORKVTESA-N 2 2 350.463 0.638 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712586 856661229 /nfs/dbraw/zinc/66/12/29/856661229.db2.gz HRADSECEYOWXPZ-BZUAXINKSA-N 2 2 350.507 0.905 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712586 856661231 /nfs/dbraw/zinc/66/12/31/856661231.db2.gz HRADSECEYOWXPZ-BZUAXINKSA-N 2 2 350.507 0.905 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848322 856707998 /nfs/dbraw/zinc/70/79/98/856707998.db2.gz KIAPLIYYRUDGNU-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848322 856708007 /nfs/dbraw/zinc/70/80/07/856708007.db2.gz KIAPLIYYRUDGNU-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945435 856743717 /nfs/dbraw/zinc/74/37/17/856743717.db2.gz ONCAUHBVWWGSKM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945435 856743719 /nfs/dbraw/zinc/74/37/19/856743719.db2.gz ONCAUHBVWWGSKM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945435 856743721 /nfs/dbraw/zinc/74/37/21/856743721.db2.gz ONCAUHBVWWGSKM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945435 856743724 /nfs/dbraw/zinc/74/37/24/856743724.db2.gz ONCAUHBVWWGSKM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)on1 ZINC001221950760 856745443 /nfs/dbraw/zinc/74/54/43/856745443.db2.gz WWMZWFAYYVKKSB-UKRRQHHQSA-N 2 2 352.435 0.294 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)on1 ZINC001221950760 856745448 /nfs/dbraw/zinc/74/54/48/856745448.db2.gz WWMZWFAYYVKKSB-UKRRQHHQSA-N 2 2 352.435 0.294 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001221973668 856753921 /nfs/dbraw/zinc/75/39/21/856753921.db2.gz IPKONTVEEIBKMZ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001221973668 856753932 /nfs/dbraw/zinc/75/39/32/856753932.db2.gz IPKONTVEEIBKMZ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001221973668 856753941 /nfs/dbraw/zinc/75/39/41/856753941.db2.gz IPKONTVEEIBKMZ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21 ZINC001221973668 856753944 /nfs/dbraw/zinc/75/39/44/856753944.db2.gz IPKONTVEEIBKMZ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226162110 857087017 /nfs/dbraw/zinc/08/70/17/857087017.db2.gz WQGRSVCPDNMDKL-BZUAXINKSA-N 2 2 359.536 0.921 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226162110 857087020 /nfs/dbraw/zinc/08/70/20/857087020.db2.gz WQGRSVCPDNMDKL-BZUAXINKSA-N 2 2 359.536 0.921 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229300549 857264604 /nfs/dbraw/zinc/26/46/04/857264604.db2.gz BIELEMQKWKZGKO-ZIAGYGMSSA-N 2 2 351.451 0.122 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352986 857328649 /nfs/dbraw/zinc/32/86/49/857328649.db2.gz YDIZHFFCFUNSBW-GVDBMIGSSA-N 2 2 352.479 0.934 20 0 FCADLP Cn1nnc2c1CC[N@H+](CCCCCO)[C@@H]2COCC[NH+]1CCCC1 ZINC001235517903 857426536 /nfs/dbraw/zinc/42/65/36/857426536.db2.gz HXOFQPDWQNDIPC-QGZVFWFLSA-N 2 2 351.495 0.989 20 0 FCADLP Cn1nnc2c1CC[N@@H+](CCCCCO)[C@@H]2COCC[NH+]1CCCC1 ZINC001235517903 857426545 /nfs/dbraw/zinc/42/65/45/857426545.db2.gz HXOFQPDWQNDIPC-QGZVFWFLSA-N 2 2 351.495 0.989 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(Br)c(F)cc1F ZINC001238836942 857482253 /nfs/dbraw/zinc/48/22/53/857482253.db2.gz AMXPHCLDXICUEF-UHFFFAOYSA-N 2 2 358.208 0.554 20 0 FCADLP CCOC(=O)CCC(CCC(=O)OCC)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645388 857587216 /nfs/dbraw/zinc/58/72/16/857587216.db2.gz UXGCSTWZHPQKSE-SFHVURJKSA-N 2 2 355.479 0.679 20 0 FCADLP CCOC(=O)CCC(CCC(=O)OCC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645388 857587225 /nfs/dbraw/zinc/58/72/25/857587225.db2.gz UXGCSTWZHPQKSE-SFHVURJKSA-N 2 2 355.479 0.679 20 0 FCADLP COCCN1CC2(CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)[C@H](COC)C1=O ZINC001246749615 857596735 /nfs/dbraw/zinc/59/67/35/857596735.db2.gz QQDASRWWVUONPO-BRWVUGGUSA-N 2 2 353.507 0.960 20 0 FCADLP COCCN1CC2(CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)[C@@H](COC)C1=O ZINC001246749614 857597098 /nfs/dbraw/zinc/59/70/98/857597098.db2.gz QQDASRWWVUONPO-BBWFWOEESA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)C(=O)N1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001246758992 857598692 /nfs/dbraw/zinc/59/86/92/857598692.db2.gz ISOWYHHXSWPPRW-JTDSTZFVSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)C(=O)N1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001246758992 857598699 /nfs/dbraw/zinc/59/86/99/857598699.db2.gz ISOWYHHXSWPPRW-JTDSTZFVSA-N 2 2 350.507 0.966 20 0 FCADLP Cc1nonc1C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001248858583 857639866 /nfs/dbraw/zinc/63/98/66/857639866.db2.gz VDFBIZNEBMAFNR-UHFFFAOYSA-N 2 2 351.451 0.381 20 0 FCADLP Cc1nonc1C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001248858583 857639869 /nfs/dbraw/zinc/63/98/69/857639869.db2.gz VDFBIZNEBMAFNR-UHFFFAOYSA-N 2 2 351.451 0.381 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252023898 857775884 /nfs/dbraw/zinc/77/58/84/857775884.db2.gz IVKDWNPTDSCGQD-INIZCTEOSA-N 2 2 352.479 0.688 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252023898 857775888 /nfs/dbraw/zinc/77/58/88/857775888.db2.gz IVKDWNPTDSCGQD-INIZCTEOSA-N 2 2 352.479 0.688 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001253184268 857869586 /nfs/dbraw/zinc/86/95/86/857869586.db2.gz CXEMSAXDKGQDIW-JZXOWHBKSA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001253184268 857869590 /nfs/dbraw/zinc/86/95/90/857869590.db2.gz CXEMSAXDKGQDIW-JZXOWHBKSA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC001253185889 857870361 /nfs/dbraw/zinc/87/03/61/857870361.db2.gz UHDFJISAIAZAQL-MWDXBVQZSA-N 2 2 355.479 0.332 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC001253185889 857870364 /nfs/dbraw/zinc/87/03/64/857870364.db2.gz UHDFJISAIAZAQL-MWDXBVQZSA-N 2 2 355.479 0.332 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+]([C@H]4CCS(=O)(=O)C4)C3)O2)CC1 ZINC001254331997 857960164 /nfs/dbraw/zinc/96/01/64/857960164.db2.gz ICFYKJUFUNQOOT-RCCFBDPRSA-N 2 2 371.547 0.435 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+]([C@H]4CCS(=O)(=O)C4)C3)O2)CC1 ZINC001254331997 857960166 /nfs/dbraw/zinc/96/01/66/857960166.db2.gz ICFYKJUFUNQOOT-RCCFBDPRSA-N 2 2 371.547 0.435 20 0 FCADLP CS(=O)(=O)N1CCC(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)CC1 ZINC001279616763 862982536 /nfs/dbraw/zinc/98/25/36/862982536.db2.gz QAICBYGHQWDTEG-UHFFFAOYSA-N 2 2 367.519 0.172 20 0 FCADLP C[NH+]1CCC([NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)CC1 ZINC001256207786 858057572 /nfs/dbraw/zinc/05/75/72/858057572.db2.gz QLMCDJDOKJEEHU-INIZCTEOSA-N 2 2 351.491 0.811 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1)N1CC[NH2+]CC1 ZINC001261492479 858568341 /nfs/dbraw/zinc/56/83/41/858568341.db2.gz GUYSJFQROVELLC-UHFFFAOYSA-N 2 2 364.877 0.920 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1)N1CC[NH2+]CC1 ZINC001261492479 858568345 /nfs/dbraw/zinc/56/83/45/858568345.db2.gz GUYSJFQROVELLC-UHFFFAOYSA-N 2 2 364.877 0.920 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CC[NH+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913914 859069076 /nfs/dbraw/zinc/06/90/76/859069076.db2.gz UGFMDLNHYGWTME-CABCVRRESA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](c2nnc(N3CC[NH+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913914 859069086 /nfs/dbraw/zinc/06/90/86/859069086.db2.gz UGFMDLNHYGWTME-CABCVRRESA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@H](c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913914 859069093 /nfs/dbraw/zinc/06/90/93/859069093.db2.gz UGFMDLNHYGWTME-CABCVRRESA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@H](c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913914 859069098 /nfs/dbraw/zinc/06/90/98/859069098.db2.gz UGFMDLNHYGWTME-CABCVRRESA-N 2 2 350.467 0.118 20 0 FCADLP COC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267930284 859519995 /nfs/dbraw/zinc/51/99/95/859519995.db2.gz ZPVVAIKILAKTEX-OXGONZEZSA-N 2 2 350.463 0.548 20 0 FCADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001270175985 859677624 /nfs/dbraw/zinc/67/76/24/859677624.db2.gz RAXWJWMFANPHEM-KURKYZTESA-N 2 2 355.523 0.775 20 0 FCADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001270175985 859677629 /nfs/dbraw/zinc/67/76/29/859677629.db2.gz RAXWJWMFANPHEM-KURKYZTESA-N 2 2 355.523 0.775 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273217511 860411887 /nfs/dbraw/zinc/41/18/87/860411887.db2.gz MJBSPFPJCZMRIC-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273217511 860411890 /nfs/dbraw/zinc/41/18/90/860411890.db2.gz MJBSPFPJCZMRIC-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273217511 860411895 /nfs/dbraw/zinc/41/18/95/860411895.db2.gz MJBSPFPJCZMRIC-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273217511 860411900 /nfs/dbraw/zinc/41/19/00/860411900.db2.gz MJBSPFPJCZMRIC-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217882 860412975 /nfs/dbraw/zinc/41/29/75/860412975.db2.gz NVDDFGBCBFEQKF-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217882 860412979 /nfs/dbraw/zinc/41/29/79/860412979.db2.gz NVDDFGBCBFEQKF-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)CC[NH+]1CCCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001273217882 860412984 /nfs/dbraw/zinc/41/29/84/860412984.db2.gz NVDDFGBCBFEQKF-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)CC[NH+]1CCCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001273217882 860412989 /nfs/dbraw/zinc/41/29/89/860412989.db2.gz NVDDFGBCBFEQKF-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC001273403946 860479403 /nfs/dbraw/zinc/47/94/03/860479403.db2.gz BFKIKEDHKKYKKX-CALCHBBNSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC001273403946 860479409 /nfs/dbraw/zinc/47/94/09/860479409.db2.gz BFKIKEDHKKYKKX-CALCHBBNSA-N 2 2 350.507 0.870 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)CC1 ZINC001274515626 860767959 /nfs/dbraw/zinc/76/79/59/860767959.db2.gz RYDSLLFIEIPGRS-ROUUACIJSA-N 2 2 351.539 0.251 20 0 FCADLP CC(C)CC[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275092907 860931183 /nfs/dbraw/zinc/93/11/83/860931183.db2.gz FRVQTOHTEXGZPD-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC001280073629 863244894 /nfs/dbraw/zinc/24/48/94/863244894.db2.gz GKBVEAPCBRUBJL-JKSUJKDBSA-N 2 2 363.531 0.732 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC001280073629 863244904 /nfs/dbraw/zinc/24/49/04/863244904.db2.gz GKBVEAPCBRUBJL-JKSUJKDBSA-N 2 2 363.531 0.732 20 0 FCADLP Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CC[NH+]1CCSCC1 ZINC001290736770 865508827 /nfs/dbraw/zinc/50/88/27/865508827.db2.gz AKBBLYWXOKQACB-UHFFFAOYSA-N 2 2 354.524 0.404 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2CC(CN3CC[NH+](C)CC3)C2)CC1 ZINC001350733067 866672036 /nfs/dbraw/zinc/67/20/36/866672036.db2.gz UAYMDJFAPOJYJF-UHFFFAOYSA-N 2 2 351.539 0.108 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814913 866697458 /nfs/dbraw/zinc/69/74/58/866697458.db2.gz MZLWXSBDCWOMFW-IXDOHACOSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814913 866697464 /nfs/dbraw/zinc/69/74/64/866697464.db2.gz MZLWXSBDCWOMFW-IXDOHACOSA-N 2 2 355.527 0.277 20 0 FCADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC001308262097 866710151 /nfs/dbraw/zinc/71/01/51/866710151.db2.gz RNPJURKMSNDLRS-AWEZNQCLSA-N 2 2 357.476 0.179 20 0 FCADLP C[C@@H](CCNS(=O)(=O)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC001309271717 866770294 /nfs/dbraw/zinc/77/02/94/866770294.db2.gz UKIXGIIVUZXULR-INIZCTEOSA-N 2 2 354.520 0.979 20 0 FCADLP C[C@@H](CCNS(=O)(=O)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001309271717 866770301 /nfs/dbraw/zinc/77/03/01/866770301.db2.gz UKIXGIIVUZXULR-INIZCTEOSA-N 2 2 354.520 0.979 20 0 FCADLP COCCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001355707992 867845692 /nfs/dbraw/zinc/84/56/92/867845692.db2.gz FERCCJIEYMNFAV-CABCVRRESA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001355707992 867845705 /nfs/dbraw/zinc/84/57/05/867845705.db2.gz FERCCJIEYMNFAV-CABCVRRESA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001355707992 867845713 /nfs/dbraw/zinc/84/57/13/867845713.db2.gz FERCCJIEYMNFAV-CABCVRRESA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001355707992 867845722 /nfs/dbraw/zinc/84/57/22/867845722.db2.gz FERCCJIEYMNFAV-CABCVRRESA-N 2 2 350.467 0.212 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357250148 868093311 /nfs/dbraw/zinc/09/33/11/868093311.db2.gz QGUYEBZIEIFMFD-HNNXBMFYSA-N 2 2 360.524 0.279 20 0 FCADLP C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357250148 868093320 /nfs/dbraw/zinc/09/33/20/868093320.db2.gz QGUYEBZIEIFMFD-HNNXBMFYSA-N 2 2 360.524 0.279 20 0 FCADLP OCC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC001321161603 868384923 /nfs/dbraw/zinc/38/49/23/868384923.db2.gz BDJHKGRXZNUCDP-LJQANCHMSA-N 2 2 355.523 0.550 20 0 FCADLP OCC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCOCC1 ZINC001321161603 868384939 /nfs/dbraw/zinc/38/49/39/868384939.db2.gz BDJHKGRXZNUCDP-LJQANCHMSA-N 2 2 355.523 0.550 20 0 FCADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC001321917770 868663645 /nfs/dbraw/zinc/66/36/45/868663645.db2.gz PHRMWNJUMLXFNE-CQSZACIVSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC001321964931 868683957 /nfs/dbraw/zinc/68/39/57/868683957.db2.gz ZXWVRCYTRRHBSI-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)C(=O)NC1CC(F)(F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322917539 868989083 /nfs/dbraw/zinc/98/90/83/868989083.db2.gz WHOUWGYSDISGLR-CQSZACIVSA-N 2 2 358.433 0.527 20 0 FCADLP CN(C(=O)C(=O)NC1CC(F)(F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322917539 868989088 /nfs/dbraw/zinc/98/90/88/868989088.db2.gz WHOUWGYSDISGLR-CQSZACIVSA-N 2 2 358.433 0.527 20 0 FCADLP CN(C(=O)NCCCCS(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325948160 870108484 /nfs/dbraw/zinc/10/84/84/870108484.db2.gz LNEXSWYLJRZIRF-INIZCTEOSA-N 2 2 374.551 0.621 20 0 FCADLP CN(C(=O)NCCCCS(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325948160 870108489 /nfs/dbraw/zinc/10/84/89/870108489.db2.gz LNEXSWYLJRZIRF-INIZCTEOSA-N 2 2 374.551 0.621 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCC3(C)CC3)CC2)CC1 ZINC001326000209 870133727 /nfs/dbraw/zinc/13/37/27/870133727.db2.gz WOCLTOZUSVOQNQ-UHFFFAOYSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001326193702 870204187 /nfs/dbraw/zinc/20/41/87/870204187.db2.gz GHZHAVYGLNQJGE-DZGCQCFKSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001326193702 870204200 /nfs/dbraw/zinc/20/42/00/870204200.db2.gz GHZHAVYGLNQJGE-DZGCQCFKSA-N 2 2 356.536 0.481 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC001326200667 870206623 /nfs/dbraw/zinc/20/66/23/870206623.db2.gz OSIKREGOQQBXKH-QGZVFWFLSA-N 2 2 356.488 0.560 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326880757 870548706 /nfs/dbraw/zinc/54/87/06/870548706.db2.gz BCBXYAVVEPJWKK-YDHLFZDLSA-N 2 2 354.520 0.281 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326880757 870548716 /nfs/dbraw/zinc/54/87/16/870548716.db2.gz BCBXYAVVEPJWKK-YDHLFZDLSA-N 2 2 354.520 0.281 20 0 FCADLP CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346308051 871765674 /nfs/dbraw/zinc/76/56/74/871765674.db2.gz SWBMQTLCWUQRKJ-YQQAZPJKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346308051 871765679 /nfs/dbraw/zinc/76/56/79/871765679.db2.gz SWBMQTLCWUQRKJ-YQQAZPJKSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001346760858 871984049 /nfs/dbraw/zinc/98/40/49/871984049.db2.gz BTQVGVKCNVLPIR-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001346760858 871984054 /nfs/dbraw/zinc/98/40/54/871984054.db2.gz BTQVGVKCNVLPIR-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001347186436 872209109 /nfs/dbraw/zinc/20/91/09/872209109.db2.gz NEAKXFPMBNEYFG-BBWFWOEESA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1CN(C)CC[N@H+]1C ZINC001347186436 872209136 /nfs/dbraw/zinc/20/91/36/872209136.db2.gz NEAKXFPMBNEYFG-BBWFWOEESA-N 2 2 355.527 0.373 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCN(C=O)CC3)CC2)CC1 ZINC001330170346 872506529 /nfs/dbraw/zinc/50/65/29/872506529.db2.gz RBMYKCMIQXNPJS-UHFFFAOYSA-N 2 2 351.495 0.419 20 0 FCADLP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCN(C4CCOCC4)C3=O)CC2)CC1 ZINC001330705485 872774054 /nfs/dbraw/zinc/77/40/54/872774054.db2.gz KSWQZRSGNSLESK-GOSISDBHSA-N 2 2 350.507 0.478 20 0 FCADLP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001331322586 873061019 /nfs/dbraw/zinc/06/10/19/873061019.db2.gz QQFIBMAMSFCYTO-UAGQMJEPSA-N 2 2 367.515 0.918 20 0 FCADLP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001331322586 873061034 /nfs/dbraw/zinc/06/10/34/873061034.db2.gz QQFIBMAMSFCYTO-UAGQMJEPSA-N 2 2 367.515 0.918 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001331322587 873061846 /nfs/dbraw/zinc/06/18/46/873061846.db2.gz QQFIBMAMSFCYTO-XIRDDKMYSA-N 2 2 367.515 0.918 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001331322587 873061860 /nfs/dbraw/zinc/06/18/60/873061860.db2.gz QQFIBMAMSFCYTO-XIRDDKMYSA-N 2 2 367.515 0.918 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1Cl ZINC001332215097 873412276 /nfs/dbraw/zinc/41/22/76/873412276.db2.gz KHQGCCHUUQYZIZ-HUBLWGQQSA-N 2 2 350.850 0.632 20 0 FCADLP COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001332340837 873464573 /nfs/dbraw/zinc/46/45/73/873464573.db2.gz RGGGZGJXVNYPFV-BZUAXINKSA-N 2 2 373.519 0.545 20 0 FCADLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825464349 947197993 /nfs/dbraw/zinc/19/79/93/947197993.db2.gz BYJWGBGRNUNWKJ-ZDUSSCGKSA-N 2 2 357.462 0.945 20 0 FCADLP CN1CCO[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826044185 947417218 /nfs/dbraw/zinc/41/72/18/947417218.db2.gz BJWPMSNYOUJKCM-SFHVURJKSA-N 2 2 371.489 0.751 20 0 FCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574920018 948883355 /nfs/dbraw/zinc/88/33/55/948883355.db2.gz AHIJNHGEWNUZAA-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574923058 948932736 /nfs/dbraw/zinc/93/27/36/948932736.db2.gz BYLNIKLCKFBAEO-NSHDSACASA-N 2 2 360.447 0.809 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574945775 949418931 /nfs/dbraw/zinc/41/89/31/949418931.db2.gz NXDDUSBBUZMRCO-GFCCVEGCSA-N 2 2 354.418 0.437 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574946602 949435369 /nfs/dbraw/zinc/43/53/69/949435369.db2.gz WNVWZOBOEBFGOZ-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946746 949439378 /nfs/dbraw/zinc/43/93/78/949439378.db2.gz XUEXWKHSFUFVMR-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574730656 950034466 /nfs/dbraw/zinc/03/44/66/950034466.db2.gz AYGBOSKOZXXJMN-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575904700 950280833 /nfs/dbraw/zinc/28/08/33/950280833.db2.gz AKCAAEDHQBLJQG-DGCLKSJQSA-N 2 2 372.458 0.904 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574516312 950636099 /nfs/dbraw/zinc/63/60/99/950636099.db2.gz HNSQRSVNSXHUCR-UPJWGTAASA-N 2 2 367.417 0.591 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571037088 951616041 /nfs/dbraw/zinc/61/60/41/951616041.db2.gz FPOJIBJNBYZBEC-ZDUSSCGKSA-N 2 2 367.417 0.292 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089435 951749985 /nfs/dbraw/zinc/74/99/85/951749985.db2.gz FPAKNNXSAVZBGZ-GFCCVEGCSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104470 951886714 /nfs/dbraw/zinc/88/67/14/951886714.db2.gz DCAQNRXYVSOLQI-CQSZACIVSA-N 2 2 368.445 0.995 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001571062787 951958432 /nfs/dbraw/zinc/95/84/32/951958432.db2.gz CSEVJYIGZOGWPJ-CXAGYDPISA-N 2 2 369.473 0.850 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571062787 951958439 /nfs/dbraw/zinc/95/84/39/951958439.db2.gz CSEVJYIGZOGWPJ-CXAGYDPISA-N 2 2 369.473 0.850 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)cn2cc[nH+]c12 ZINC000293124073 214147875 /nfs/dbraw/zinc/14/78/75/214147875.db2.gz UHNIHQGWVFCINE-UHFFFAOYSA-N 2 2 372.473 0.723 20 0 FCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000293455739 214175012 /nfs/dbraw/zinc/17/50/12/214175012.db2.gz WHMJYPWRMAUSGK-AWEZNQCLSA-N 2 2 357.476 0.100 20 0 FCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000293455739 214175016 /nfs/dbraw/zinc/17/50/16/214175016.db2.gz WHMJYPWRMAUSGK-AWEZNQCLSA-N 2 2 357.476 0.100 20 0 FCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000293455739 214175018 /nfs/dbraw/zinc/17/50/18/214175018.db2.gz WHMJYPWRMAUSGK-AWEZNQCLSA-N 2 2 357.476 0.100 20 0 FCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000293455739 214175022 /nfs/dbraw/zinc/17/50/22/214175022.db2.gz WHMJYPWRMAUSGK-AWEZNQCLSA-N 2 2 357.476 0.100 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cn2cc[nH+]c12 ZINC000294397849 214242676 /nfs/dbraw/zinc/24/26/76/214242676.db2.gz SHLKCSHMMOIQCU-AWEZNQCLSA-N 2 2 373.457 0.885 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cn2cc[nH+]c12 ZINC000294397849 214242679 /nfs/dbraw/zinc/24/26/79/214242679.db2.gz SHLKCSHMMOIQCU-AWEZNQCLSA-N 2 2 373.457 0.885 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NCC[NH+]2CCC(O)CC2)c2ccccc2)CC1 ZINC000296978171 214372588 /nfs/dbraw/zinc/37/25/88/214372588.db2.gz PAPHIOZYOPWLKC-IBGZPJMESA-N 2 2 360.502 0.548 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865136 210237769 /nfs/dbraw/zinc/23/77/69/210237769.db2.gz GFHJOJCSLWSCOM-MSOLQXFVSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865136 210237773 /nfs/dbraw/zinc/23/77/73/210237773.db2.gz GFHJOJCSLWSCOM-MSOLQXFVSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265865136 210237778 /nfs/dbraw/zinc/23/77/78/210237778.db2.gz GFHJOJCSLWSCOM-MSOLQXFVSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265865136 210237784 /nfs/dbraw/zinc/23/77/84/210237784.db2.gz GFHJOJCSLWSCOM-MSOLQXFVSA-N 2 2 374.485 0.343 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000410873436 529696932 /nfs/dbraw/zinc/69/69/32/529696932.db2.gz WTOIZKNSQIDADD-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCN(C)C3=O)CC2)c1 ZINC000265671574 210193648 /nfs/dbraw/zinc/19/36/48/210193648.db2.gz XOFVKMOTQHLVQU-SFHVURJKSA-N 2 2 358.486 0.802 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCN(C)C3=O)CC2)c1 ZINC000265671574 210193655 /nfs/dbraw/zinc/19/36/55/210193655.db2.gz XOFVKMOTQHLVQU-SFHVURJKSA-N 2 2 358.486 0.802 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410431702 529907787 /nfs/dbraw/zinc/90/77/87/529907787.db2.gz ICFPSPLDDQVKDJ-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410431702 529907788 /nfs/dbraw/zinc/90/77/88/529907788.db2.gz ICFPSPLDDQVKDJ-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410431793 529907804 /nfs/dbraw/zinc/90/78/04/529907804.db2.gz IMBDGZIWNYOWRK-INIZCTEOSA-N 2 2 361.490 0.755 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410921502 529909155 /nfs/dbraw/zinc/90/91/55/529909155.db2.gz RJYNCLZYVORZNX-MRXNPFEDSA-N 2 2 364.490 0.028 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410921502 529909156 /nfs/dbraw/zinc/90/91/56/529909156.db2.gz RJYNCLZYVORZNX-MRXNPFEDSA-N 2 2 364.490 0.028 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265548811 210163249 /nfs/dbraw/zinc/16/32/49/210163249.db2.gz YGKBIGMOQITLSF-GXTWGEPZSA-N 2 2 354.476 0.623 20 0 FCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331678810 215032802 /nfs/dbraw/zinc/03/28/02/215032802.db2.gz QAOMIARGKHKHNO-HOTGVXAUSA-N 2 2 364.515 0.897 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000331681064 215033536 /nfs/dbraw/zinc/03/35/36/215033536.db2.gz ZCXWLFTXHDTOSF-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000331797780 215048280 /nfs/dbraw/zinc/04/82/80/215048280.db2.gz AOVWFUQQBCCWDC-NFAWXSAZSA-N 2 2 350.488 0.759 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000331841793 215055847 /nfs/dbraw/zinc/05/58/47/215055847.db2.gz CPXQJXKWQSHWQC-AWEZNQCLSA-N 2 2 365.503 0.396 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000331841793 215055851 /nfs/dbraw/zinc/05/58/51/215055851.db2.gz CPXQJXKWQSHWQC-AWEZNQCLSA-N 2 2 365.503 0.396 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000331925668 215067453 /nfs/dbraw/zinc/06/74/53/215067453.db2.gz KLVNHPMHCCPROS-DOTOQJQBSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000331925668 215067456 /nfs/dbraw/zinc/06/74/56/215067456.db2.gz KLVNHPMHCCPROS-DOTOQJQBSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000331925668 215067458 /nfs/dbraw/zinc/06/74/58/215067458.db2.gz KLVNHPMHCCPROS-DOTOQJQBSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000331925668 215067460 /nfs/dbraw/zinc/06/74/60/215067460.db2.gz KLVNHPMHCCPROS-DOTOQJQBSA-N 2 2 367.490 0.726 20 0 FCADLP O=C(CC[N@H+]1CCSC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332065555 215085461 /nfs/dbraw/zinc/08/54/61/215085461.db2.gz RRGANCOFXAOBRA-INIZCTEOSA-N 2 2 364.515 0.920 20 0 FCADLP O=C(CC[N@@H+]1CCSC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332065555 215085464 /nfs/dbraw/zinc/08/54/64/215085464.db2.gz RRGANCOFXAOBRA-INIZCTEOSA-N 2 2 364.515 0.920 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000332076361 215087037 /nfs/dbraw/zinc/08/70/37/215087037.db2.gz YSBZIXTUKPTCRX-ZIAGYGMSSA-N 2 2 374.489 0.387 20 0 FCADLP O=C(CC[N@H+]1CCSC[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332077327 215087947 /nfs/dbraw/zinc/08/79/47/215087947.db2.gz GUQHDIPIFBLDIC-OAHLLOKOSA-N 2 2 350.488 0.530 20 0 FCADLP O=C(CC[N@@H+]1CCSC[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332077327 215087951 /nfs/dbraw/zinc/08/79/51/215087951.db2.gz GUQHDIPIFBLDIC-OAHLLOKOSA-N 2 2 350.488 0.530 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000332084175 215088757 /nfs/dbraw/zinc/08/87/57/215088757.db2.gz PLOKJYDBPKSSIA-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000332090290 215091912 /nfs/dbraw/zinc/09/19/12/215091912.db2.gz UXPIGWMVUDKYEF-STQMWFEESA-N 2 2 361.446 0.374 20 0 FCADLP C[C@H]1CSCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332081824 215089459 /nfs/dbraw/zinc/08/94/59/215089459.db2.gz MZWLISPRGFNPHA-AWEZNQCLSA-N 2 2 368.547 0.625 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000264925986 210017001 /nfs/dbraw/zinc/01/70/01/210017001.db2.gz RCQUVBSCXCGYOB-UHFFFAOYSA-N 2 2 374.532 0.494 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000264925986 210017005 /nfs/dbraw/zinc/01/70/05/210017005.db2.gz RCQUVBSCXCGYOB-UHFFFAOYSA-N 2 2 374.532 0.494 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332386707 215142276 /nfs/dbraw/zinc/14/22/76/215142276.db2.gz YGBBRKDSZQZOKO-YLFCFFPRSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332386707 215142280 /nfs/dbraw/zinc/14/22/80/215142280.db2.gz YGBBRKDSZQZOKO-YLFCFFPRSA-N 2 2 366.506 0.155 20 0 FCADLP NC(=O)[C@]1(O)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332462582 215156397 /nfs/dbraw/zinc/15/63/97/215156397.db2.gz JRPGGPWMOFCXKN-KRWDZBQOSA-N 2 2 366.487 0.754 20 0 FCADLP NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332462582 215156400 /nfs/dbraw/zinc/15/64/00/215156400.db2.gz JRPGGPWMOFCXKN-KRWDZBQOSA-N 2 2 366.487 0.754 20 0 FCADLP COCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000332515446 215165315 /nfs/dbraw/zinc/16/53/15/215165315.db2.gz OPRMTZCOXXKPLG-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000332528951 215169530 /nfs/dbraw/zinc/16/95/30/215169530.db2.gz OWSMSTHIWHRJOU-DLBZAZTESA-N 2 2 358.486 0.848 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C[C@H]1C ZINC000332648259 215197234 /nfs/dbraw/zinc/19/72/34/215197234.db2.gz KRKFEPFOMGQTMR-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C[C@H]1C ZINC000332648259 215197237 /nfs/dbraw/zinc/19/72/37/215197237.db2.gz KRKFEPFOMGQTMR-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000332978924 215220779 /nfs/dbraw/zinc/22/07/79/215220779.db2.gz KBMSALYEGBDZKS-IKGGRYGDSA-N 2 2 371.547 0.666 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000332978924 215220782 /nfs/dbraw/zinc/22/07/82/215220782.db2.gz KBMSALYEGBDZKS-IKGGRYGDSA-N 2 2 371.547 0.666 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000332978924 215220784 /nfs/dbraw/zinc/22/07/84/215220784.db2.gz KBMSALYEGBDZKS-IKGGRYGDSA-N 2 2 371.547 0.666 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000332978924 215220785 /nfs/dbraw/zinc/22/07/85/215220785.db2.gz KBMSALYEGBDZKS-IKGGRYGDSA-N 2 2 371.547 0.666 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333033761 215226976 /nfs/dbraw/zinc/22/69/76/215226976.db2.gz NABBTMWYOXBDRF-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333033761 215226978 /nfs/dbraw/zinc/22/69/78/215226978.db2.gz NABBTMWYOXBDRF-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333054010 215230404 /nfs/dbraw/zinc/23/04/04/215230404.db2.gz QZQFGJYTJNJPJC-SJORKVTESA-N 2 2 366.506 0.528 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000333076794 215232894 /nfs/dbraw/zinc/23/28/94/215232894.db2.gz WDZVWRRIBAHOQX-KRWDZBQOSA-N 2 2 371.547 0.687 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000333319935 215262968 /nfs/dbraw/zinc/26/29/68/215262968.db2.gz KYCURKDVAODULH-SFHVURJKSA-N 2 2 360.458 0.620 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000333319935 215262971 /nfs/dbraw/zinc/26/29/71/215262971.db2.gz KYCURKDVAODULH-SFHVURJKSA-N 2 2 360.458 0.620 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000333459783 215284097 /nfs/dbraw/zinc/28/40/97/215284097.db2.gz GGTLCKFFLGHDBR-BFYDXBDKSA-N 2 2 362.478 0.385 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000333459784 215284594 /nfs/dbraw/zinc/28/45/94/215284594.db2.gz GGTLCKFFLGHDBR-HLLBOEOZSA-N 2 2 362.478 0.385 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333466843 215286258 /nfs/dbraw/zinc/28/62/58/215286258.db2.gz AIWNVBDUAYOMEE-VEZWFGLTSA-N 2 2 367.538 0.299 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333466843 215286261 /nfs/dbraw/zinc/28/62/61/215286261.db2.gz AIWNVBDUAYOMEE-VEZWFGLTSA-N 2 2 367.538 0.299 20 0 FCADLP COCC1(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000333740407 215314949 /nfs/dbraw/zinc/31/49/49/215314949.db2.gz XNPCOQHRZMFHTE-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333733310 215313823 /nfs/dbraw/zinc/31/38/23/215313823.db2.gz IATXYNJBQYCDJM-GTPINHCMSA-N 2 2 353.511 0.223 20 0 FCADLP COCC1(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC[NH2+]CC1 ZINC000333740404 215315205 /nfs/dbraw/zinc/31/52/05/215315205.db2.gz XNPCOQHRZMFHTE-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000333799491 215320476 /nfs/dbraw/zinc/32/04/76/215320476.db2.gz NVRAXWWUBCPPFW-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000333799491 215320479 /nfs/dbraw/zinc/32/04/79/215320479.db2.gz NVRAXWWUBCPPFW-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000333799491 215320482 /nfs/dbraw/zinc/32/04/82/215320482.db2.gz NVRAXWWUBCPPFW-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000333799491 215320486 /nfs/dbraw/zinc/32/04/86/215320486.db2.gz NVRAXWWUBCPPFW-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cn2c1 ZINC000333839914 215324546 /nfs/dbraw/zinc/32/45/46/215324546.db2.gz UWHUEWRRYNAYQO-MRXNPFEDSA-N 2 2 370.457 0.749 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333846972 215324602 /nfs/dbraw/zinc/32/46/02/215324602.db2.gz PHTIWZVLUTUZOY-MRXNPFEDSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333834388 215322917 /nfs/dbraw/zinc/32/29/17/215322917.db2.gz NBGQYLOCQDVNAC-OWCLPIDISA-N 2 2 351.495 0.323 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863985 215325700 /nfs/dbraw/zinc/32/57/00/215325700.db2.gz QNPJXWGYWXLWPB-YESZJQIVSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863985 215325702 /nfs/dbraw/zinc/32/57/02/215325702.db2.gz QNPJXWGYWXLWPB-YESZJQIVSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000333874261 215327677 /nfs/dbraw/zinc/32/76/77/215327677.db2.gz CGQBOBRRRWYEEE-JKSUJKDBSA-N 2 2 373.501 0.966 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@H](C)C[NH2+]1 ZINC000333889050 215328457 /nfs/dbraw/zinc/32/84/57/215328457.db2.gz GNSVJTNYSKRUHS-HZPDHXFCSA-N 2 2 373.501 0.966 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000333889048 215328797 /nfs/dbraw/zinc/32/87/97/215328797.db2.gz GNSVJTNYSKRUHS-CVEARBPZSA-N 2 2 373.501 0.966 20 0 FCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000334064224 215340164 /nfs/dbraw/zinc/34/01/64/215340164.db2.gz CMAFKCFGPZFNSQ-GJZGRUSLSA-N 2 2 362.478 0.912 20 0 FCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000334064224 215340168 /nfs/dbraw/zinc/34/01/68/215340168.db2.gz CMAFKCFGPZFNSQ-GJZGRUSLSA-N 2 2 362.478 0.912 20 0 FCADLP CCOC(=O)CCCNC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000361014198 215378869 /nfs/dbraw/zinc/37/88/69/215378869.db2.gz YMHHKRJVAXIQCI-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCOC(=O)CCCNC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000361014198 215378873 /nfs/dbraw/zinc/37/88/73/215378873.db2.gz YMHHKRJVAXIQCI-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000361084661 215380530 /nfs/dbraw/zinc/38/05/30/215380530.db2.gz LRISRZCPFHCWOT-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000361084661 215380535 /nfs/dbraw/zinc/38/05/35/215380535.db2.gz LRISRZCPFHCWOT-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000284928311 213251221 /nfs/dbraw/zinc/25/12/21/213251221.db2.gz NMYZIUADRYJOGE-GOEBONIOSA-N 2 2 368.441 0.436 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000284928311 213251223 /nfs/dbraw/zinc/25/12/23/213251223.db2.gz NMYZIUADRYJOGE-GOEBONIOSA-N 2 2 368.441 0.436 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000284758391 213213859 /nfs/dbraw/zinc/21/38/59/213213859.db2.gz CYYGDQCJFCSRHV-UHFFFAOYSA-N 2 2 370.457 0.746 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000284758391 213213862 /nfs/dbraw/zinc/21/38/62/213213862.db2.gz CYYGDQCJFCSRHV-UHFFFAOYSA-N 2 2 370.457 0.746 20 0 FCADLP CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000363497927 215538331 /nfs/dbraw/zinc/53/83/31/215538331.db2.gz VXODNTGDXHOCQZ-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c[nH+]1 ZINC000284677816 213195539 /nfs/dbraw/zinc/19/55/39/213195539.db2.gz VFEGLNPHCSRDSF-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284624010 213182642 /nfs/dbraw/zinc/18/26/42/213182642.db2.gz YPTMPARRIDHIDV-INIZCTEOSA-N 2 2 371.441 0.054 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284624010 213182644 /nfs/dbraw/zinc/18/26/44/213182644.db2.gz YPTMPARRIDHIDV-INIZCTEOSA-N 2 2 371.441 0.054 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000284514022 213158700 /nfs/dbraw/zinc/15/87/00/213158700.db2.gz QTGFJDMVOZJXQG-UHFFFAOYSA-N 2 2 373.457 0.635 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284484212 213149899 /nfs/dbraw/zinc/14/98/99/213149899.db2.gz RLVTXOJRKSANSD-GJZGRUSLSA-N 2 2 366.462 0.178 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417715 213135599 /nfs/dbraw/zinc/13/55/99/213135599.db2.gz XQMSPGFXRPDTCQ-CABCVRRESA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417715 213135601 /nfs/dbraw/zinc/13/56/01/213135601.db2.gz XQMSPGFXRPDTCQ-CABCVRRESA-N 2 2 368.503 0.304 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CC1 ZINC000284391801 213129151 /nfs/dbraw/zinc/12/91/51/213129151.db2.gz ADWNERFJPWYGLP-UHFFFAOYSA-N 2 2 364.515 0.645 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)C1CC1 ZINC000284391801 213129155 /nfs/dbraw/zinc/12/91/55/213129155.db2.gz ADWNERFJPWYGLP-UHFFFAOYSA-N 2 2 364.515 0.645 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000284381282 213125241 /nfs/dbraw/zinc/12/52/41/213125241.db2.gz LZRRUCUEPWARRN-NFAHFFEMSA-N 2 2 354.476 0.780 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326882 213112480 /nfs/dbraw/zinc/11/24/80/213112480.db2.gz LDGXMKLFYIYZFE-GOEBONIOSA-N 2 2 357.458 0.792 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326882 213112484 /nfs/dbraw/zinc/11/24/84/213112484.db2.gz LDGXMKLFYIYZFE-GOEBONIOSA-N 2 2 357.458 0.792 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)n1C ZINC000284324846 213111946 /nfs/dbraw/zinc/11/19/46/213111946.db2.gz AAINLNPSDGIWDQ-UHFFFAOYSA-N 2 2 372.473 0.351 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)n1C ZINC000284324846 213111949 /nfs/dbraw/zinc/11/19/49/213111949.db2.gz AAINLNPSDGIWDQ-UHFFFAOYSA-N 2 2 372.473 0.351 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccco1 ZINC000284314796 213109358 /nfs/dbraw/zinc/10/93/58/213109358.db2.gz JDEDWVVJEZVZIG-CQSZACIVSA-N 2 2 366.462 0.226 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccco1 ZINC000284314796 213109363 /nfs/dbraw/zinc/10/93/63/213109363.db2.gz JDEDWVVJEZVZIG-CQSZACIVSA-N 2 2 366.462 0.226 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000284162238 213089122 /nfs/dbraw/zinc/08/91/22/213089122.db2.gz ZNXYKJIYPYBFNS-HUUCEWRRSA-N 2 2 359.430 0.934 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000284108694 213075313 /nfs/dbraw/zinc/07/53/13/213075313.db2.gz CGYBOCOIEHQPBZ-HOTGVXAUSA-N 2 2 372.473 0.177 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000284108694 213075316 /nfs/dbraw/zinc/07/53/16/213075316.db2.gz CGYBOCOIEHQPBZ-HOTGVXAUSA-N 2 2 372.473 0.177 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284073785 213068217 /nfs/dbraw/zinc/06/82/17/213068217.db2.gz TWAMCBMUKOWJJE-ZBFHGGJFSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284073785 213068219 /nfs/dbraw/zinc/06/82/19/213068219.db2.gz TWAMCBMUKOWJJE-ZBFHGGJFSA-N 2 2 355.442 0.893 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1C ZINC000284072237 213068295 /nfs/dbraw/zinc/06/82/95/213068295.db2.gz PAXILLAXIDTMPO-MRXNPFEDSA-N 2 2 372.473 0.521 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000283998658 213052775 /nfs/dbraw/zinc/05/27/75/213052775.db2.gz NDEPLAKVKTXZCC-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000283998658 213052777 /nfs/dbraw/zinc/05/27/77/213052777.db2.gz NDEPLAKVKTXZCC-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000283955232 213042611 /nfs/dbraw/zinc/04/26/11/213042611.db2.gz OESZKTLAEOEQHQ-CABCVRRESA-N 2 2 363.462 0.100 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000283955232 213042614 /nfs/dbraw/zinc/04/26/14/213042614.db2.gz OESZKTLAEOEQHQ-CABCVRRESA-N 2 2 363.462 0.100 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283951648 213042065 /nfs/dbraw/zinc/04/20/65/213042065.db2.gz HZZVVASQYUNVST-CQSZACIVSA-N 2 2 351.451 0.200 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283951648 213042067 /nfs/dbraw/zinc/04/20/67/213042067.db2.gz HZZVVASQYUNVST-CQSZACIVSA-N 2 2 351.451 0.200 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000283924941 213035953 /nfs/dbraw/zinc/03/59/53/213035953.db2.gz DUQJRECLDVCHTA-KRWDZBQOSA-N 2 2 371.485 0.767 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000283888522 213027908 /nfs/dbraw/zinc/02/79/08/213027908.db2.gz KGLLBXPKSAPHCZ-UHFFFAOYSA-N 2 2 356.430 0.701 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000283854704 213021420 /nfs/dbraw/zinc/02/14/20/213021420.db2.gz MOGOHFJPXQNXHK-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000283291067 212931268 /nfs/dbraw/zinc/93/12/68/212931268.db2.gz OUHXBSPYYUWNJK-HUUCEWRRSA-N 2 2 365.478 0.393 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000411986254 237133347 /nfs/dbraw/zinc/13/33/47/237133347.db2.gz FKBIHEKHESBFNA-OALUTQOASA-N 2 2 361.486 0.708 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411998150 237134702 /nfs/dbraw/zinc/13/47/02/237134702.db2.gz VMBMONCNZKNHRR-SJORKVTESA-N 2 2 367.515 0.769 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000412093877 237164491 /nfs/dbraw/zinc/16/44/91/237164491.db2.gz PKCGHUHHYIZSGN-LUKYLMHMSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000412093877 237164499 /nfs/dbraw/zinc/16/44/99/237164499.db2.gz PKCGHUHHYIZSGN-LUKYLMHMSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000412093877 237164505 /nfs/dbraw/zinc/16/45/05/237164505.db2.gz PKCGHUHHYIZSGN-LUKYLMHMSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000412093877 237164512 /nfs/dbraw/zinc/16/45/12/237164512.db2.gz PKCGHUHHYIZSGN-LUKYLMHMSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@]2(CCCOC2)O1 ZINC000366620476 216004899 /nfs/dbraw/zinc/00/48/99/216004899.db2.gz RFFHEGSCXWPBPZ-QFBILLFUSA-N 2 2 368.522 0.992 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000412438491 237210907 /nfs/dbraw/zinc/21/09/07/237210907.db2.gz UAQBRADNMZUHOL-GOSISDBHSA-N 2 2 369.506 0.435 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000412438491 237210915 /nfs/dbraw/zinc/21/09/15/237210915.db2.gz UAQBRADNMZUHOL-GOSISDBHSA-N 2 2 369.506 0.435 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000413231260 237297029 /nfs/dbraw/zinc/29/70/29/237297029.db2.gz MDBTVZLTYAKSEC-UHFFFAOYSA-N 2 2 372.510 0.086 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000413231260 237297035 /nfs/dbraw/zinc/29/70/35/237297035.db2.gz MDBTVZLTYAKSEC-UHFFFAOYSA-N 2 2 372.510 0.086 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000366809453 216036504 /nfs/dbraw/zinc/03/65/04/216036504.db2.gz VSZQFIDZXSHADT-QGZVFWFLSA-N 2 2 359.474 0.683 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000366809453 216036508 /nfs/dbraw/zinc/03/65/08/216036508.db2.gz VSZQFIDZXSHADT-QGZVFWFLSA-N 2 2 359.474 0.683 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000413487988 237346784 /nfs/dbraw/zinc/34/67/84/237346784.db2.gz NZKKHYPZPDAXTF-QGZVFWFLSA-N 2 2 368.522 0.992 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000413487988 237346797 /nfs/dbraw/zinc/34/67/97/237346797.db2.gz NZKKHYPZPDAXTF-QGZVFWFLSA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)(C)c1ncc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000366927564 216051275 /nfs/dbraw/zinc/05/12/75/216051275.db2.gz YTOOBKYSFAMUOA-INIZCTEOSA-N 2 2 361.490 0.797 20 0 FCADLP O=C1C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)CN1CC[NH+]1CCOCC1 ZINC000367085616 216072805 /nfs/dbraw/zinc/07/28/05/216072805.db2.gz QQUDHBFIQIKRNC-IAGOWNOFSA-N 2 2 351.491 0.858 20 0 FCADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000367598910 216140980 /nfs/dbraw/zinc/14/09/80/216140980.db2.gz AQUTYDVZWAPCDG-OLEVXBPZSA-N 2 2 351.491 0.569 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000367731129 216154959 /nfs/dbraw/zinc/15/49/59/216154959.db2.gz VLDQBERUIDUSMR-NJAFHUGGSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000367731129 216154962 /nfs/dbraw/zinc/15/49/62/216154962.db2.gz VLDQBERUIDUSMR-NJAFHUGGSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNc3ccccc3C(N)=O)C2)CC1 ZINC000367690101 216150607 /nfs/dbraw/zinc/15/06/07/216150607.db2.gz XABVLUZMCVSBQJ-CQSZACIVSA-N 2 2 359.474 0.482 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNc3ccccc3C(N)=O)C2)CC1 ZINC000367690101 216150609 /nfs/dbraw/zinc/15/06/09/216150609.db2.gz XABVLUZMCVSBQJ-CQSZACIVSA-N 2 2 359.474 0.482 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000367940246 216181027 /nfs/dbraw/zinc/18/10/27/216181027.db2.gz DIHRKMBOOIOVCT-GDBMZVCRSA-N 2 2 351.447 0.461 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000367940246 216181030 /nfs/dbraw/zinc/18/10/30/216181030.db2.gz DIHRKMBOOIOVCT-GDBMZVCRSA-N 2 2 351.447 0.461 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1CCOC ZINC000368022207 216193724 /nfs/dbraw/zinc/19/37/24/216193724.db2.gz ALRZNAHRXGLMCU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368022207 216193725 /nfs/dbraw/zinc/19/37/25/216193725.db2.gz ALRZNAHRXGLMCU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022207 216193727 /nfs/dbraw/zinc/19/37/27/216193727.db2.gz ALRZNAHRXGLMCU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022207 216193729 /nfs/dbraw/zinc/19/37/29/216193729.db2.gz ALRZNAHRXGLMCU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573586 209394386 /nfs/dbraw/zinc/39/43/86/209394386.db2.gz LLIRQBYZYPFHMK-DOTOQJQBSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573586 209394390 /nfs/dbraw/zinc/39/43/90/209394390.db2.gz LLIRQBYZYPFHMK-DOTOQJQBSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246573586 209394393 /nfs/dbraw/zinc/39/43/93/209394393.db2.gz LLIRQBYZYPFHMK-DOTOQJQBSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246573586 209394396 /nfs/dbraw/zinc/39/43/96/209394396.db2.gz LLIRQBYZYPFHMK-DOTOQJQBSA-N 2 2 359.536 0.891 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000245463104 209368397 /nfs/dbraw/zinc/36/83/97/209368397.db2.gz ONDITLQOONEOMU-MOPGFXCFSA-N 2 2 361.486 0.767 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000245463104 209368399 /nfs/dbraw/zinc/36/83/99/209368399.db2.gz ONDITLQOONEOMU-MOPGFXCFSA-N 2 2 361.486 0.767 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246126015 209378887 /nfs/dbraw/zinc/37/88/87/209378887.db2.gz IQYFZDQLICGFKM-ROUUACIJSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246126015 209378889 /nfs/dbraw/zinc/37/88/89/209378889.db2.gz IQYFZDQLICGFKM-ROUUACIJSA-N 2 2 368.522 0.849 20 0 FCADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000245834773 209376376 /nfs/dbraw/zinc/37/63/76/209376376.db2.gz CGWCRTALXJZHLA-GVDBMIGSSA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000368280138 216227603 /nfs/dbraw/zinc/22/76/03/216227603.db2.gz FZYOYWGZAWCLNX-QGZVFWFLSA-N 2 2 374.485 0.411 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237816308 209358484 /nfs/dbraw/zinc/35/84/84/209358484.db2.gz WPKKJBXVOFQWRB-BPUTZDHNSA-N 2 2 369.473 0.933 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237736162 209357318 /nfs/dbraw/zinc/35/73/18/209357318.db2.gz AIFQYEPRCUGEMM-UHFFFAOYSA-N 2 2 351.414 0.784 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3([NH3+])CCCC3)CC2)cc1 ZINC000237442239 209353120 /nfs/dbraw/zinc/35/31/20/209353120.db2.gz NKKPTWWHEKIQKA-UHFFFAOYSA-N 2 2 374.485 0.841 20 0 FCADLP C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC000237369357 209351660 /nfs/dbraw/zinc/35/16/60/209351660.db2.gz MMJHBSZXZQZYPB-GJZGRUSLSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000236957029 209346666 /nfs/dbraw/zinc/34/66/66/209346666.db2.gz RHUHWMDRBNSPCS-HNNXBMFYSA-N 2 2 354.476 0.689 20 0 FCADLP CCNC(=O)CN(CC)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000236881397 209344718 /nfs/dbraw/zinc/34/47/18/209344718.db2.gz LSGZGPAULVJNKB-KRWDZBQOSA-N 2 2 357.458 0.786 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000236726110 209343049 /nfs/dbraw/zinc/34/30/49/209343049.db2.gz YCDAVBMOYWQEQR-INIZCTEOSA-N 2 2 350.438 0.683 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000193662863 209316303 /nfs/dbraw/zinc/31/63/03/209316303.db2.gz DIMCMUFAMBXEON-OAHLLOKOSA-N 2 2 356.430 0.727 20 0 FCADLP CN(C(=O)NCCCO[C@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368434811 216246594 /nfs/dbraw/zinc/24/65/94/216246594.db2.gz UWQJIWGDMNXGRU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCCO[C@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368434811 216246597 /nfs/dbraw/zinc/24/65/97/216246597.db2.gz UWQJIWGDMNXGRU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP O=C1CO[C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501465 216255992 /nfs/dbraw/zinc/25/59/92/216255992.db2.gz BCBMNMYAPUHIOX-GUDVDZBRSA-N 2 2 359.470 0.867 20 0 FCADLP O=C1CO[C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501465 216255995 /nfs/dbraw/zinc/25/59/95/216255995.db2.gz BCBMNMYAPUHIOX-GUDVDZBRSA-N 2 2 359.470 0.867 20 0 FCADLP O=C1CO[C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501465 216255997 /nfs/dbraw/zinc/25/59/97/216255997.db2.gz BCBMNMYAPUHIOX-GUDVDZBRSA-N 2 2 359.470 0.867 20 0 FCADLP O=C1CO[C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501465 216256001 /nfs/dbraw/zinc/25/60/01/216256001.db2.gz BCBMNMYAPUHIOX-GUDVDZBRSA-N 2 2 359.470 0.867 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000369248985 216371251 /nfs/dbraw/zinc/37/12/51/216371251.db2.gz GWGMLKYZWCQLSX-JQHSSLGASA-N 2 2 363.506 0.861 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000369248985 216371253 /nfs/dbraw/zinc/37/12/53/216371253.db2.gz GWGMLKYZWCQLSX-JQHSSLGASA-N 2 2 363.506 0.861 20 0 FCADLP CC(=O)N[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273954 216373871 /nfs/dbraw/zinc/37/38/71/216373871.db2.gz LFGGIEWPVWYVQG-FUHWJXTLSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273954 216373873 /nfs/dbraw/zinc/37/38/73/216373873.db2.gz LFGGIEWPVWYVQG-FUHWJXTLSA-N 2 2 350.507 0.966 20 0 FCADLP Cn1c2ccccc2n(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000369275426 216375789 /nfs/dbraw/zinc/37/57/89/216375789.db2.gz XNHSKYYUXWTLFO-HNNXBMFYSA-N 2 2 371.485 0.625 20 0 FCADLP Cn1c2ccccc2n(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000369275426 216375791 /nfs/dbraw/zinc/37/57/91/216375791.db2.gz XNHSKYYUXWTLFO-HNNXBMFYSA-N 2 2 371.485 0.625 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)Cc3ccccc3)C2)CC1 ZINC000369275425 216376533 /nfs/dbraw/zinc/37/65/33/216376533.db2.gz XMAHYIKXRCMBOL-QGZVFWFLSA-N 2 2 358.486 0.630 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)Cc3ccccc3)C2)CC1 ZINC000369275425 216376534 /nfs/dbraw/zinc/37/65/34/216376534.db2.gz XMAHYIKXRCMBOL-QGZVFWFLSA-N 2 2 358.486 0.630 20 0 FCADLP CC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362793 216389579 /nfs/dbraw/zinc/38/95/79/216389579.db2.gz HVXXYQGAMBGZAF-IAGOWNOFSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362793 216389582 /nfs/dbraw/zinc/38/95/82/216389582.db2.gz HVXXYQGAMBGZAF-IAGOWNOFSA-N 2 2 365.522 0.713 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369395059 216393551 /nfs/dbraw/zinc/39/35/51/216393551.db2.gz YFJXZCGLFYUOCW-KRWDZBQOSA-N 3 2 367.538 0.565 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369395059 216393554 /nfs/dbraw/zinc/39/35/54/216393554.db2.gz YFJXZCGLFYUOCW-KRWDZBQOSA-N 3 2 367.538 0.565 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C1 ZINC000369396416 216397105 /nfs/dbraw/zinc/39/71/05/216397105.db2.gz XNKOPTFQCUOPBN-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C1 ZINC000369396416 216397110 /nfs/dbraw/zinc/39/71/10/216397110.db2.gz XNKOPTFQCUOPBN-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000189563589 209256284 /nfs/dbraw/zinc/25/62/84/209256284.db2.gz VCOYPTCJWAAUNM-INIZCTEOSA-N 3 2 369.554 0.499 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000189563589 209256288 /nfs/dbraw/zinc/25/62/88/209256288.db2.gz VCOYPTCJWAAUNM-INIZCTEOSA-N 3 2 369.554 0.499 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NCC[N@@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000189472119 209251071 /nfs/dbraw/zinc/25/10/71/209251071.db2.gz URCMNINTZGPYGX-LJQANCHMSA-N 2 2 360.502 0.814 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NCC[N@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000189472119 209251076 /nfs/dbraw/zinc/25/10/76/209251076.db2.gz URCMNINTZGPYGX-LJQANCHMSA-N 2 2 360.502 0.814 20 0 FCADLP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000182675122 209135547 /nfs/dbraw/zinc/13/55/47/209135547.db2.gz GNUBLHNJDKXZQG-HOTGVXAUSA-N 2 2 371.507 0.245 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000188945775 209241984 /nfs/dbraw/zinc/24/19/84/209241984.db2.gz MMCFDDPBRRJGLV-SJORKVTESA-N 2 2 369.554 0.357 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000188945775 209241987 /nfs/dbraw/zinc/24/19/87/209241987.db2.gz MMCFDDPBRRJGLV-SJORKVTESA-N 2 2 369.554 0.357 20 0 FCADLP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000188695663 209236140 /nfs/dbraw/zinc/23/61/40/209236140.db2.gz JIFKYRUQLHPAOF-UHFFFAOYSA-N 2 2 355.442 0.892 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188711565 209235776 /nfs/dbraw/zinc/23/57/76/209235776.db2.gz STOFKEYCYADLRM-UHFFFAOYSA-N 2 2 362.478 0.072 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188711565 209235779 /nfs/dbraw/zinc/23/57/79/209235779.db2.gz STOFKEYCYADLRM-UHFFFAOYSA-N 2 2 362.478 0.072 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188742365 209235039 /nfs/dbraw/zinc/23/50/39/209235039.db2.gz HEHYFGBCETUHNZ-DOTOQJQBSA-N 2 2 351.422 0.714 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1CCO ZINC000187281563 209209012 /nfs/dbraw/zinc/20/90/12/209209012.db2.gz PIVKDQHEZUUHTP-QFBILLFUSA-N 2 2 361.486 0.709 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1CCO ZINC000187281563 209209016 /nfs/dbraw/zinc/20/90/16/209209016.db2.gz PIVKDQHEZUUHTP-QFBILLFUSA-N 2 2 361.486 0.709 20 0 FCADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000186280844 209188721 /nfs/dbraw/zinc/18/87/21/209188721.db2.gz DBQMILFSCDPRIE-UHFFFAOYSA-N 2 2 374.485 0.400 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000931433478 674114538 /nfs/dbraw/zinc/11/45/38/674114538.db2.gz ABWDMKNJWNVNCD-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000931433478 674114531 /nfs/dbraw/zinc/11/45/31/674114531.db2.gz ABWDMKNJWNVNCD-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000931433478 674114533 /nfs/dbraw/zinc/11/45/33/674114533.db2.gz ABWDMKNJWNVNCD-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000931433478 674114535 /nfs/dbraw/zinc/11/45/35/674114535.db2.gz ABWDMKNJWNVNCD-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000275658669 212068294 /nfs/dbraw/zinc/06/82/94/212068294.db2.gz NTHSRAKOEVPPHR-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000275658669 212068304 /nfs/dbraw/zinc/06/83/04/212068304.db2.gz NTHSRAKOEVPPHR-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP CC1C[C@@H](C(=O)NCCn2cc[nH+]c2)[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000185688753 209179673 /nfs/dbraw/zinc/17/96/73/209179673.db2.gz JGVRWILBDGYJTC-HZPDHXFCSA-N 2 2 358.446 0.675 20 0 FCADLP CC1C[C@H](C(=O)NCCn2cc[nH+]c2)[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000185688772 209179805 /nfs/dbraw/zinc/17/98/05/209179805.db2.gz JGVRWILBDGYJTC-HOTGVXAUSA-N 2 2 358.446 0.675 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCOCC1 ZINC000414681408 245311175 /nfs/dbraw/zinc/31/11/75/245311175.db2.gz OZRRESMBZHHWTI-SFHVURJKSA-N 2 2 374.485 0.744 20 0 FCADLP C[C@@H]1C[C@@H](C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752405 245319233 /nfs/dbraw/zinc/31/92/33/245319233.db2.gz BVRJUZGSPVMWQV-NEPJUHHUSA-N 2 2 372.457 0.825 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414899481 245331191 /nfs/dbraw/zinc/33/11/91/245331191.db2.gz BYTHGUJFGVZOQG-CYBMUJFWSA-N 2 2 362.430 0.180 20 0 FCADLP C[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000415237026 245365222 /nfs/dbraw/zinc/36/52/22/245365222.db2.gz HKRHTIONBWMAHY-ZBFHGGJFSA-N 2 2 350.467 0.806 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415292710 245379813 /nfs/dbraw/zinc/37/98/13/245379813.db2.gz KFLOPFMXYQSGEP-MRXNPFEDSA-N 2 2 359.474 0.322 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000415299907 245381351 /nfs/dbraw/zinc/38/13/51/245381351.db2.gz ITIZYIKCRNKVTQ-WMLDXEAASA-N 2 2 360.458 0.887 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1)[NH+]1CCOCC1 ZINC000415316331 245383903 /nfs/dbraw/zinc/38/39/03/245383903.db2.gz JGMSYEQFGVAINW-HNNXBMFYSA-N 2 2 360.458 0.840 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000415331104 245390495 /nfs/dbraw/zinc/39/04/95/245390495.db2.gz ZXDOYXWHHAVHDN-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415339062 245392491 /nfs/dbraw/zinc/39/24/91/245392491.db2.gz AXKPTNOKXCSJQY-OAHLLOKOSA-N 2 2 359.474 0.193 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184237039 209159338 /nfs/dbraw/zinc/15/93/38/209159338.db2.gz BNRFNNAPRDIVSP-UHFFFAOYSA-N 2 2 359.536 0.911 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217584 217109807 /nfs/dbraw/zinc/10/98/07/217109807.db2.gz AHPDGFKYJPVALQ-MSOLQXFVSA-N 2 2 374.533 0.902 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217584 217109811 /nfs/dbraw/zinc/10/98/11/217109811.db2.gz AHPDGFKYJPVALQ-MSOLQXFVSA-N 2 2 374.533 0.902 20 0 FCADLP O=C(NCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000374801569 217175145 /nfs/dbraw/zinc/17/51/45/217175145.db2.gz NUTWQUIHKVFWTE-UHFFFAOYSA-N 2 2 353.385 0.214 20 0 FCADLP C[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000374951273 217195330 /nfs/dbraw/zinc/19/53/30/217195330.db2.gz KAMNFQZXMVBGDA-HNNXBMFYSA-N 2 2 357.520 0.109 20 0 FCADLP C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000374951274 217195597 /nfs/dbraw/zinc/19/55/97/217195597.db2.gz KAMNFQZXMVBGDA-OAHLLOKOSA-N 2 2 357.520 0.109 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[NH+](Cc4cccnc4)CC3)cn2)CC1 ZINC000183662117 209150935 /nfs/dbraw/zinc/15/09/35/209150935.db2.gz NITPLZUBLKAWTJ-UHFFFAOYSA-N 2 2 367.501 0.941 20 0 FCADLP C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000183174174 209141472 /nfs/dbraw/zinc/14/14/72/209141472.db2.gz VJBLJCAPPVOLCE-GJZGRUSLSA-N 2 2 350.463 0.861 20 0 FCADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183179031 209142166 /nfs/dbraw/zinc/14/21/66/209142166.db2.gz APNMIROTXXENNR-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183179031 209142169 /nfs/dbraw/zinc/14/21/69/209142169.db2.gz APNMIROTXXENNR-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000375251498 217239480 /nfs/dbraw/zinc/23/94/80/217239480.db2.gz WDAYNJXQLVQLKB-QRFRQXIXSA-N 2 2 359.470 0.570 20 0 FCADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000375251496 217239488 /nfs/dbraw/zinc/23/94/88/217239488.db2.gz WDAYNJXQLVQLKB-IMFGXOCKSA-N 2 2 359.470 0.570 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376379 217255872 /nfs/dbraw/zinc/25/58/72/217255872.db2.gz BPYJUISSJOCPKU-MSOLQXFVSA-N 2 2 373.501 0.895 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376379 217255875 /nfs/dbraw/zinc/25/58/75/217255875.db2.gz BPYJUISSJOCPKU-MSOLQXFVSA-N 2 2 373.501 0.895 20 0 FCADLP C[C@H]1OCC[C@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CCO2 ZINC000375675823 217298183 /nfs/dbraw/zinc/29/81/83/217298183.db2.gz UXYJKSWEEJWIPF-QAPCUYQASA-N 2 2 354.495 0.602 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CC12CC[NH2+]CC2 ZINC000375704872 217300780 /nfs/dbraw/zinc/30/07/80/217300780.db2.gz NWZHSPLOFHPYTI-PMPSAXMXSA-N 3 2 361.490 0.880 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417661098 245712363 /nfs/dbraw/zinc/71/23/63/245712363.db2.gz OOXZYEDKYJETIJ-DOMZBBRYSA-N 2 2 355.433 0.770 20 0 FCADLP C[C@](O)(CNC(=O)NC[C@H]1CCCn2cc[nH+]c21)C[NH+]1CCOCC1 ZINC000375959084 217338877 /nfs/dbraw/zinc/33/88/77/217338877.db2.gz FGMVXJCXBKRCGO-PBHICJAKSA-N 2 2 351.451 0.143 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000376017362 217345360 /nfs/dbraw/zinc/34/53/60/217345360.db2.gz CQXKPGBTZAVCQO-OKZBNKHCSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000376017362 217345362 /nfs/dbraw/zinc/34/53/62/217345362.db2.gz CQXKPGBTZAVCQO-OKZBNKHCSA-N 2 2 351.491 0.687 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376364788 217389790 /nfs/dbraw/zinc/38/97/90/217389790.db2.gz LAPPYBKRYVHPCY-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376364788 217389793 /nfs/dbraw/zinc/38/97/93/217389793.db2.gz LAPPYBKRYVHPCY-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)NCCNC(=O)C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376318560 217383258 /nfs/dbraw/zinc/38/32/58/217383258.db2.gz KZCWHEMWRRYBJN-MRXNPFEDSA-N 2 2 367.538 0.959 20 0 FCADLP CN(C(=O)NCCNC(=O)C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376318560 217383261 /nfs/dbraw/zinc/38/32/61/217383261.db2.gz KZCWHEMWRRYBJN-MRXNPFEDSA-N 2 2 367.538 0.959 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000376319015 217383348 /nfs/dbraw/zinc/38/33/48/217383348.db2.gz CEFWVTFHSANELJ-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181037343 209107758 /nfs/dbraw/zinc/10/77/58/209107758.db2.gz MFUQUNZAADIPGX-RTBURBONSA-N 2 2 361.486 0.767 20 0 FCADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181037365 209107554 /nfs/dbraw/zinc/10/75/54/209107554.db2.gz MFUQUNZAADIPGX-MOPGFXCFSA-N 2 2 361.486 0.767 20 0 FCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022362 209107578 /nfs/dbraw/zinc/10/75/78/209107578.db2.gz FYYADOVBQHYZNN-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419124522 246000018 /nfs/dbraw/zinc/00/00/18/246000018.db2.gz XLWIWQWWSQXGDB-CVEARBPZSA-N 2 2 354.495 0.093 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419128237 246002239 /nfs/dbraw/zinc/00/22/39/246002239.db2.gz VQRHUCHQRDPANB-JKSUJKDBSA-N 2 2 369.469 0.799 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c[nH+]2)CC1 ZINC000419206946 246055324 /nfs/dbraw/zinc/05/53/24/246055324.db2.gz NTZLGWDSMJJETK-MRXNPFEDSA-N 2 2 359.474 0.802 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228977 246067364 /nfs/dbraw/zinc/06/73/64/246067364.db2.gz HAEPZNLWQKIFLD-OLZOCXBDSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228977 246067370 /nfs/dbraw/zinc/06/73/70/246067370.db2.gz HAEPZNLWQKIFLD-OLZOCXBDSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@@H]1C[NH3+] ZINC000419199846 246048285 /nfs/dbraw/zinc/04/82/85/246048285.db2.gz DCHBVGGTWCXSPE-GDBMZVCRSA-N 2 2 359.474 0.884 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH2+]1 ZINC000419282870 246086683 /nfs/dbraw/zinc/08/66/83/246086683.db2.gz RLVTUUSPZOTZJA-UHFFFAOYSA-N 2 2 355.442 0.758 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CC1 ZINC000419300329 246091814 /nfs/dbraw/zinc/09/18/14/246091814.db2.gz BTMQKZSCYCBPLS-MRXNPFEDSA-N 2 2 359.474 0.932 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419351811 246113188 /nfs/dbraw/zinc/11/31/88/246113188.db2.gz JUWKRBRYTOBMKU-QGZVFWFLSA-N 2 2 374.485 0.770 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508965 246185828 /nfs/dbraw/zinc/18/58/28/246185828.db2.gz RTDFUJYTPYXWGQ-SJORKVTESA-N 2 2 373.501 0.134 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419640646 246227263 /nfs/dbraw/zinc/22/72/63/246227263.db2.gz KTNAAJDQHCSATB-PBHICJAKSA-N 2 2 355.442 0.662 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419638285 246227319 /nfs/dbraw/zinc/22/73/19/246227319.db2.gz GBIMFKJTFHARBY-UHFFFAOYSA-N 2 2 355.442 0.987 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000419688630 246253060 /nfs/dbraw/zinc/25/30/60/246253060.db2.gz RIIGRFXHQNKDPN-MXSMSXNCSA-N 2 2 374.485 0.165 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000419699923 246257419 /nfs/dbraw/zinc/25/74/19/246257419.db2.gz AUNFCFQKQPPCDG-BFHYXJOUSA-N 2 2 361.446 0.006 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419708180 246261308 /nfs/dbraw/zinc/26/13/08/246261308.db2.gz GWUQHXHEOSKYHE-ZDUSSCGKSA-N 2 2 366.893 0.786 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419708180 246261311 /nfs/dbraw/zinc/26/13/11/246261311.db2.gz GWUQHXHEOSKYHE-ZDUSSCGKSA-N 2 2 366.893 0.786 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)n1C ZINC000419714759 246266327 /nfs/dbraw/zinc/26/63/27/246266327.db2.gz YCVXEGVDKGRTMK-CYBMUJFWSA-N 2 2 358.512 0.237 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419736442 246276841 /nfs/dbraw/zinc/27/68/41/246276841.db2.gz WMQPUUOYYGNEKA-IAGOWNOFSA-N 2 2 371.485 0.767 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419872545 246339416 /nfs/dbraw/zinc/33/94/16/246339416.db2.gz YKCKGSIIXVRRCY-KRWDZBQOSA-N 2 2 374.485 0.325 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419841817 246315882 /nfs/dbraw/zinc/31/58/82/246315882.db2.gz AKOXFGHDPSUKHR-INIZCTEOSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419841817 246315888 /nfs/dbraw/zinc/31/58/88/246315888.db2.gz AKOXFGHDPSUKHR-INIZCTEOSA-N 2 2 358.486 0.978 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000419853344 246324968 /nfs/dbraw/zinc/32/49/68/246324968.db2.gz AOQSJWIOGHUEKU-INIZCTEOSA-N 2 2 359.474 0.779 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000419900635 246359342 /nfs/dbraw/zinc/35/93/42/246359342.db2.gz SSWSBQIHPPOFPV-UHFFFAOYSA-N 2 2 363.849 0.901 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419963439 246389707 /nfs/dbraw/zinc/38/97/07/246389707.db2.gz WEMIAZOBRRWNDZ-GJZGRUSLSA-N 2 2 362.474 0.611 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972072 246395235 /nfs/dbraw/zinc/39/52/35/246395235.db2.gz XUAFRWSIRBMSLD-GOEBONIOSA-N 2 2 354.495 0.189 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000419971812 246397658 /nfs/dbraw/zinc/39/76/58/246397658.db2.gz XKHQTRIHDYJACR-DLBZAZTESA-N 2 2 366.506 0.333 20 0 FCADLP [NH3+]C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCO1 ZINC000420389019 246555416 /nfs/dbraw/zinc/55/54/16/246555416.db2.gz LUXYDDAIHPSHCS-OAHLLOKOSA-N 2 2 352.504 0.442 20 0 FCADLP C[C@](C[NH3+])(NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000422822762 246924006 /nfs/dbraw/zinc/92/40/06/246924006.db2.gz BQMFBNGPURRJAO-LJQANCHMSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000423020266 246948307 /nfs/dbraw/zinc/94/83/07/246948307.db2.gz ZPVBKKIXHYTBCD-CQSZACIVSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423361986 247012241 /nfs/dbraw/zinc/01/22/41/247012241.db2.gz HJCFKGMQUOGXRU-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000423372799 247013028 /nfs/dbraw/zinc/01/30/28/247013028.db2.gz HEDKREPWKMMXNQ-QGZVFWFLSA-N 2 2 373.501 0.087 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423311370 247002520 /nfs/dbraw/zinc/00/25/20/247002520.db2.gz PRUGNTQWDLRLLW-LZLYRXPVSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423311370 247002525 /nfs/dbraw/zinc/00/25/25/247002525.db2.gz PRUGNTQWDLRLLW-LZLYRXPVSA-N 2 2 358.486 0.915 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000423549604 247048075 /nfs/dbraw/zinc/04/80/75/247048075.db2.gz HVYUGJUMWCOTNA-NVXWUHKLSA-N 2 2 374.485 0.678 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000423549604 247048079 /nfs/dbraw/zinc/04/80/79/247048079.db2.gz HVYUGJUMWCOTNA-NVXWUHKLSA-N 2 2 374.485 0.678 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423546717 247048807 /nfs/dbraw/zinc/04/88/07/247048807.db2.gz KPOHZUGWJJSVGE-UKRRQHHQSA-N 2 2 353.488 0.750 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000423579050 247059213 /nfs/dbraw/zinc/05/92/13/247059213.db2.gz NIZFDTSRWNPJKT-HUUCEWRRSA-N 2 2 359.474 0.875 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423583802 247063427 /nfs/dbraw/zinc/06/34/27/247063427.db2.gz AZODRFKSXFDIDO-AEFFLSMTSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423583802 247063432 /nfs/dbraw/zinc/06/34/32/247063432.db2.gz AZODRFKSXFDIDO-AEFFLSMTSA-N 2 2 374.485 0.296 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000423590061 247066059 /nfs/dbraw/zinc/06/60/59/247066059.db2.gz DENREUSLKBAOIE-HOTGVXAUSA-N 2 2 374.485 0.721 20 0 FCADLP O=C(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423433685 247024684 /nfs/dbraw/zinc/02/46/84/247024684.db2.gz NJVMYOPGVHZIGA-MSOLQXFVSA-N 2 2 373.501 0.970 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423487120 247035982 /nfs/dbraw/zinc/03/59/82/247035982.db2.gz UZVVLXKJHGSNQT-HIFRSBDPSA-N 2 2 366.487 0.139 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000423688691 247110314 /nfs/dbraw/zinc/11/03/14/247110314.db2.gz XJTCJBSRAUAIPW-CVEARBPZSA-N 2 2 354.495 0.284 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000423692519 247112070 /nfs/dbraw/zinc/11/20/70/247112070.db2.gz QTAMVOVUTRVOFZ-UHFFFAOYSA-N 2 2 374.485 0.550 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423612514 247074229 /nfs/dbraw/zinc/07/42/29/247074229.db2.gz UHYMXTAKNAVPCQ-CQSZACIVSA-N 2 2 350.488 0.732 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000423615717 247076428 /nfs/dbraw/zinc/07/64/28/247076428.db2.gz ZGBWDOPKYANCDP-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000423615717 247076433 /nfs/dbraw/zinc/07/64/33/247076433.db2.gz ZGBWDOPKYANCDP-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423626149 247081181 /nfs/dbraw/zinc/08/11/81/247081181.db2.gz GVBDYGKSSUBFGP-CVEARBPZSA-N 2 2 374.485 0.548 20 0 FCADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423652459 247095008 /nfs/dbraw/zinc/09/50/08/247095008.db2.gz XGSUHKJBCXMUSH-SQNIBIBYSA-N 2 2 374.485 0.466 20 0 FCADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423652459 247095012 /nfs/dbraw/zinc/09/50/12/247095012.db2.gz XGSUHKJBCXMUSH-SQNIBIBYSA-N 2 2 374.485 0.466 20 0 FCADLP CC(C)(C[NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000423755119 247140133 /nfs/dbraw/zinc/14/01/33/247140133.db2.gz HAOYTRNEBWHUGB-CQSZACIVSA-N 2 2 362.478 0.383 20 0 FCADLP CC(C)(C[NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000423755119 247140137 /nfs/dbraw/zinc/14/01/37/247140137.db2.gz HAOYTRNEBWHUGB-CQSZACIVSA-N 2 2 362.478 0.383 20 0 FCADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423780652 247141536 /nfs/dbraw/zinc/14/15/36/247141536.db2.gz WMEQCWNMQAGMCZ-SFHVURJKSA-N 2 2 355.442 0.505 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423922618 247151624 /nfs/dbraw/zinc/15/16/24/247151624.db2.gz JYLYYXNZURRYEB-IHRRRGAJSA-N 2 2 356.467 0.811 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423922618 247151627 /nfs/dbraw/zinc/15/16/27/247151627.db2.gz JYLYYXNZURRYEB-IHRRRGAJSA-N 2 2 356.467 0.811 20 0 FCADLP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423995982 247158406 /nfs/dbraw/zinc/15/84/06/247158406.db2.gz VPFHGWPHACMOHC-WMLDXEAASA-N 2 2 350.438 0.441 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423715894 247123137 /nfs/dbraw/zinc/12/31/37/247123137.db2.gz HXTTVAZZFWWUJY-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@H]1C[NH2+]CCN1C)CC2 ZINC000423717147 247123480 /nfs/dbraw/zinc/12/34/80/247123480.db2.gz JSSKYYGFTVRUBO-INIZCTEOSA-N 2 2 362.474 0.082 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@H]1C[NH2+]CCN1C)CC2 ZINC000423717147 247123483 /nfs/dbraw/zinc/12/34/83/247123483.db2.gz JSSKYYGFTVRUBO-INIZCTEOSA-N 2 2 362.474 0.082 20 0 FCADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1COCC[NH2+]1)CC2 ZINC000424193917 247176869 /nfs/dbraw/zinc/17/68/69/247176869.db2.gz VMMFCCVMAHXMBG-ZIAGYGMSSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1COCC[NH2+]1)CC2 ZINC000424193917 247176875 /nfs/dbraw/zinc/17/68/75/247176875.db2.gz VMMFCCVMAHXMBG-ZIAGYGMSSA-N 2 2 350.488 0.944 20 0 FCADLP C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C[NH2+]1 ZINC000272610252 211573738 /nfs/dbraw/zinc/57/37/38/211573738.db2.gz WBGNNHWIDOHELP-HOTGVXAUSA-N 2 2 359.474 0.719 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000424468693 247228168 /nfs/dbraw/zinc/22/81/68/247228168.db2.gz PKMVCSHDQABXIW-QGZVFWFLSA-N 2 2 360.458 0.715 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424541109 247256951 /nfs/dbraw/zinc/25/69/51/247256951.db2.gz DMGYQFGDWUFGRH-LSDHHAIUSA-N 2 2 372.460 0.728 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424541109 247256958 /nfs/dbraw/zinc/25/69/58/247256958.db2.gz DMGYQFGDWUFGRH-LSDHHAIUSA-N 2 2 372.460 0.728 20 0 FCADLP COc1ccc(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1S(N)(=O)=O ZINC000425363550 247326550 /nfs/dbraw/zinc/32/65/50/247326550.db2.gz WQDOZFUOXAVKOA-UHFFFAOYSA-N 2 2 367.475 0.474 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000425377059 247327990 /nfs/dbraw/zinc/32/79/90/247327990.db2.gz ZFBVBNFCJJEOTE-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000426601083 247470543 /nfs/dbraw/zinc/47/05/43/247470543.db2.gz PSSRIMMLVLENDQ-HZPDHXFCSA-N 2 2 374.445 0.340 20 0 FCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000435604518 248003632 /nfs/dbraw/zinc/00/36/32/248003632.db2.gz AHUQFVYPISBINQ-QZTJIDSGSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000435604518 248003637 /nfs/dbraw/zinc/00/36/37/248003637.db2.gz AHUQFVYPISBINQ-QZTJIDSGSA-N 2 2 370.538 0.833 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567613 248002400 /nfs/dbraw/zinc/00/24/00/248002400.db2.gz QYROSONPIXSXRM-LSDHHAIUSA-N 2 2 359.474 0.759 20 0 FCADLP C[C@@H](C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000435571030 248002662 /nfs/dbraw/zinc/00/26/62/248002662.db2.gz QMBGOKITLXWOJH-JKSUJKDBSA-N 2 2 361.490 0.612 20 0 FCADLP CCNC(=O)NC(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690593 248009258 /nfs/dbraw/zinc/00/92/58/248009258.db2.gz BDUNOKJNHHSWOL-CQSZACIVSA-N 2 2 362.478 0.693 20 0 FCADLP O=C1C[NH2+]CCN1Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000435727735 248016513 /nfs/dbraw/zinc/01/65/13/248016513.db2.gz FETOCXYZHYUMIV-UHFFFAOYSA-N 2 2 357.414 0.501 20 0 FCADLP O=C1C[NH2+]CCN1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000435720641 248017099 /nfs/dbraw/zinc/01/70/99/248017099.db2.gz CJLLDYVBZCSXJX-UHFFFAOYSA-N 2 2 357.414 0.501 20 0 FCADLP Cc1ncsc1C[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@H]1CC[NH2+]C1 ZINC000435737329 248017273 /nfs/dbraw/zinc/01/72/73/248017273.db2.gz HCQVZVRZEQECOJ-ZDUSSCGKSA-N 2 2 363.487 0.461 20 0 FCADLP Cc1ncsc1C[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@H]1CC[NH2+]C1 ZINC000435737329 248017275 /nfs/dbraw/zinc/01/72/75/248017275.db2.gz HCQVZVRZEQECOJ-ZDUSSCGKSA-N 2 2 363.487 0.461 20 0 FCADLP C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000436047684 248029174 /nfs/dbraw/zinc/02/91/74/248029174.db2.gz DFOSUHSQQYHAOR-DLBZAZTESA-N 2 2 360.502 0.817 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000436048181 248029796 /nfs/dbraw/zinc/02/97/96/248029796.db2.gz FQGIQWZZAGUPSM-HNNXBMFYSA-N 2 2 367.494 0.464 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000436048181 248029799 /nfs/dbraw/zinc/02/97/99/248029799.db2.gz FQGIQWZZAGUPSM-HNNXBMFYSA-N 2 2 367.494 0.464 20 0 FCADLP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+]1CC(C)(C)O ZINC000436222816 248035957 /nfs/dbraw/zinc/03/59/57/248035957.db2.gz MNKMJVBQNNVTDC-ZDUSSCGKSA-N 2 2 352.483 0.473 20 0 FCADLP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+]1CC(C)(C)O ZINC000436222816 248035959 /nfs/dbraw/zinc/03/59/59/248035959.db2.gz MNKMJVBQNNVTDC-ZDUSSCGKSA-N 2 2 352.483 0.473 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253163 248245660 /nfs/dbraw/zinc/24/56/60/248245660.db2.gz AKXJDFIVTYXRNM-OKZBNKHCSA-N 3 2 352.523 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441253163 248245662 /nfs/dbraw/zinc/24/56/62/248245662.db2.gz AKXJDFIVTYXRNM-OKZBNKHCSA-N 3 2 352.523 0.770 20 0 FCADLP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000445858700 248378402 /nfs/dbraw/zinc/37/84/02/248378402.db2.gz FOFOYNKEIVDYDD-UHFFFAOYSA-N 2 2 361.494 0.382 20 0 FCADLP CC(C)C(=O)NC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000271031988 211321411 /nfs/dbraw/zinc/32/14/11/211321411.db2.gz DAWFGDGFYUDAEH-UHFFFAOYSA-N 2 2 360.506 0.965 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270664001 211242667 /nfs/dbraw/zinc/24/26/67/211242667.db2.gz KPIVVPCVPHKHSN-GOSISDBHSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270664001 211242672 /nfs/dbraw/zinc/24/26/72/211242672.db2.gz KPIVVPCVPHKHSN-GOSISDBHSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270664001 211242660 /nfs/dbraw/zinc/24/26/60/211242660.db2.gz KPIVVPCVPHKHSN-GOSISDBHSA-N 2 2 373.501 0.772 20 0 FCADLP CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1)C1CC1 ZINC000469989762 250017976 /nfs/dbraw/zinc/01/79/76/250017976.db2.gz GVHWJJQMDAGZPH-ZDUSSCGKSA-N 2 2 365.503 0.945 20 0 FCADLP CC(=O)N(c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1)C1CC1 ZINC000469989762 250017979 /nfs/dbraw/zinc/01/79/79/250017979.db2.gz GVHWJJQMDAGZPH-ZDUSSCGKSA-N 2 2 365.503 0.945 20 0 FCADLP CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)N(C(C)=O)C1 ZINC000469740481 250001080 /nfs/dbraw/zinc/00/10/80/250001080.db2.gz YUVDSJGJXVRYTG-FHLIZLRMSA-N 2 2 366.506 0.249 20 0 FCADLP CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)N(C(C)=O)C1 ZINC000469740481 250001084 /nfs/dbraw/zinc/00/10/84/250001084.db2.gz YUVDSJGJXVRYTG-FHLIZLRMSA-N 2 2 366.506 0.249 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470361191 250038981 /nfs/dbraw/zinc/03/89/81/250038981.db2.gz BZLJZBKULZCCMC-UHFFFAOYSA-N 2 2 363.425 0.929 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964909 250082303 /nfs/dbraw/zinc/08/23/03/250082303.db2.gz BVBNHXQLIGHFOB-QGZVFWFLSA-N 2 2 362.518 0.731 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964909 250082307 /nfs/dbraw/zinc/08/23/07/250082307.db2.gz BVBNHXQLIGHFOB-QGZVFWFLSA-N 2 2 362.518 0.731 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964909 250082308 /nfs/dbraw/zinc/08/23/08/250082308.db2.gz BVBNHXQLIGHFOB-QGZVFWFLSA-N 2 2 362.518 0.731 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964909 250082311 /nfs/dbraw/zinc/08/23/11/250082311.db2.gz BVBNHXQLIGHFOB-QGZVFWFLSA-N 2 2 362.518 0.731 20 0 FCADLP C[NH+](C)CCOCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000471636108 250112055 /nfs/dbraw/zinc/11/20/55/250112055.db2.gz LWNCLXUBOZSIRJ-UHFFFAOYSA-N 2 2 364.490 0.971 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000472951530 250190531 /nfs/dbraw/zinc/19/05/31/250190531.db2.gz MVKOLAMFZLHIFC-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472750551 250179181 /nfs/dbraw/zinc/17/91/81/250179181.db2.gz LFHMGBYJPVRTLF-ROUUACIJSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472750551 250179183 /nfs/dbraw/zinc/17/91/83/250179183.db2.gz LFHMGBYJPVRTLF-ROUUACIJSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651773 250244624 /nfs/dbraw/zinc/24/46/24/250244624.db2.gz XSUZUUIBXWZCQV-LSDHHAIUSA-N 2 2 361.446 0.541 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651773 250244628 /nfs/dbraw/zinc/24/46/28/250244628.db2.gz XSUZUUIBXWZCQV-LSDHHAIUSA-N 2 2 361.446 0.541 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000473874803 250255135 /nfs/dbraw/zinc/25/51/35/250255135.db2.gz JWJGWMADYSDEDZ-UHFFFAOYSA-N 2 2 356.511 0.632 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000473951629 250259236 /nfs/dbraw/zinc/25/92/36/250259236.db2.gz SURQTXYUHBIRFL-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000473951629 250259239 /nfs/dbraw/zinc/25/92/39/250259239.db2.gz SURQTXYUHBIRFL-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CO[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480905971 250293906 /nfs/dbraw/zinc/29/39/06/250293906.db2.gz JZTKWCHZGNNCHA-LSDHHAIUSA-N 2 2 356.492 0.546 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C)[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000481867969 250368856 /nfs/dbraw/zinc/36/88/56/250368856.db2.gz BZBICIFHRMJYSR-PFJGLKMASA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000481867969 250368862 /nfs/dbraw/zinc/36/88/62/250368862.db2.gz BZBICIFHRMJYSR-PFJGLKMASA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C)[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000481867969 250368867 /nfs/dbraw/zinc/36/88/67/250368867.db2.gz BZBICIFHRMJYSR-PFJGLKMASA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C)[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000481867969 250368873 /nfs/dbraw/zinc/36/88/73/250368873.db2.gz BZBICIFHRMJYSR-PFJGLKMASA-N 2 2 364.534 0.974 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000413065817 532994269 /nfs/dbraw/zinc/99/42/69/532994269.db2.gz CAGOYPFRRNISMV-CVEARBPZSA-N 2 2 370.494 0.089 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000413065817 532994272 /nfs/dbraw/zinc/99/42/72/532994272.db2.gz CAGOYPFRRNISMV-CVEARBPZSA-N 2 2 370.494 0.089 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499597 533008765 /nfs/dbraw/zinc/00/87/65/533008765.db2.gz NLPGVDABCRMTBT-HUUCEWRRSA-N 2 2 363.462 0.226 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499597 533008768 /nfs/dbraw/zinc/00/87/68/533008768.db2.gz NLPGVDABCRMTBT-HUUCEWRRSA-N 2 2 363.462 0.226 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nnnn3C3CC3)CC2)CC1 ZINC000066568242 208020735 /nfs/dbraw/zinc/02/07/35/208020735.db2.gz YCWTUTFWWGMMOG-UHFFFAOYSA-N 2 2 361.494 0.774 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000081528846 208100427 /nfs/dbraw/zinc/10/04/27/208100427.db2.gz JFJZIBZOUQJQJQ-GJZGRUSLSA-N 2 2 370.519 0.685 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074655322 208058651 /nfs/dbraw/zinc/05/86/51/208058651.db2.gz CPKPGCYITRSZRX-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077622160 208072000 /nfs/dbraw/zinc/07/20/00/208072000.db2.gz XYXPHBYGWNLKGY-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000079072565 208088159 /nfs/dbraw/zinc/08/81/59/208088159.db2.gz GDROZWBNGJQFEB-CQSZACIVSA-N 2 2 353.511 0.711 20 0 FCADLP Cn1nccc1C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000080203237 208092619 /nfs/dbraw/zinc/09/26/19/208092619.db2.gz QCMWPGLCFGHKJQ-UHFFFAOYSA-N 2 2 363.487 0.646 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000090003725 208128747 /nfs/dbraw/zinc/12/87/47/208128747.db2.gz MXBGMVZIZOCORG-LBPRGKRZSA-N 2 2 374.445 0.010 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000090003725 208128753 /nfs/dbraw/zinc/12/87/53/208128753.db2.gz MXBGMVZIZOCORG-LBPRGKRZSA-N 2 2 374.445 0.010 20 0 FCADLP CC[N@H+](CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CC1 ZINC000101989948 208169624 /nfs/dbraw/zinc/16/96/24/208169624.db2.gz AEFIPAYNQYEBBE-QGZVFWFLSA-N 2 2 356.536 0.978 20 0 FCADLP CC[N@@H+](CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CC1 ZINC000101989948 208169629 /nfs/dbraw/zinc/16/96/29/208169629.db2.gz AEFIPAYNQYEBBE-QGZVFWFLSA-N 2 2 356.536 0.978 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093017778 208151270 /nfs/dbraw/zinc/15/12/70/208151270.db2.gz LPUXRLUZCWPLAV-GOSISDBHSA-N 2 2 374.533 0.773 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093017778 208151275 /nfs/dbraw/zinc/15/12/75/208151275.db2.gz LPUXRLUZCWPLAV-GOSISDBHSA-N 2 2 374.533 0.773 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)cn2)CC1 ZINC000093017778 208151283 /nfs/dbraw/zinc/15/12/83/208151283.db2.gz LPUXRLUZCWPLAV-GOSISDBHSA-N 2 2 374.533 0.773 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(N4CCCC4=O)CC3)cn2)CC1 ZINC000093088142 208153741 /nfs/dbraw/zinc/15/37/41/208153741.db2.gz DEIIPCWTNYQBKF-UHFFFAOYSA-N 2 2 358.490 0.815 20 0 FCADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000093187956 208154604 /nfs/dbraw/zinc/15/46/04/208154604.db2.gz VXHBWEKKTSIEJG-QZTJIDSGSA-N 3 2 366.550 0.972 20 0 FCADLP Cc1cnc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000106041540 208207514 /nfs/dbraw/zinc/20/75/14/208207514.db2.gz YIKMCLYRXICSDQ-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000106041608 208207716 /nfs/dbraw/zinc/20/77/16/208207716.db2.gz VDJCUAIWHCTHOB-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104061481 208182502 /nfs/dbraw/zinc/18/25/02/208182502.db2.gz ULOXZILPYIAXDP-GOSISDBHSA-N 2 2 359.474 0.577 20 0 FCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104061481 208182508 /nfs/dbraw/zinc/18/25/08/208182508.db2.gz ULOXZILPYIAXDP-GOSISDBHSA-N 2 2 359.474 0.577 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000105177875 208194430 /nfs/dbraw/zinc/19/44/30/208194430.db2.gz CNZDQDIUIQBVEI-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(=O)N2CCc3ccccc32)CC1 ZINC000267302832 210513183 /nfs/dbraw/zinc/51/31/83/210513183.db2.gz KSTBVFOFLDSHCL-UHFFFAOYSA-N 2 2 373.501 0.901 20 0 FCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220243 208276168 /nfs/dbraw/zinc/27/61/68/208276168.db2.gz IIIRTVJZKBQQBM-GOEBONIOSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220243 208276174 /nfs/dbraw/zinc/27/61/74/208276174.db2.gz IIIRTVJZKBQQBM-GOEBONIOSA-N 2 2 364.515 0.978 20 0 FCADLP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514039 208308345 /nfs/dbraw/zinc/30/83/45/208308345.db2.gz NMBKXRGXDUXVHF-CRAIPNDOSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514039 208308349 /nfs/dbraw/zinc/30/83/49/208308349.db2.gz NMBKXRGXDUXVHF-CRAIPNDOSA-N 2 2 359.470 0.996 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000119886691 208369374 /nfs/dbraw/zinc/36/93/74/208369374.db2.gz KXAGWXWLSQNXEE-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842005 208351745 /nfs/dbraw/zinc/35/17/45/208351745.db2.gz SIJTVFNECGWNPY-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842005 208351746 /nfs/dbraw/zinc/35/17/46/208351746.db2.gz SIJTVFNECGWNPY-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842005 208351749 /nfs/dbraw/zinc/35/17/49/208351749.db2.gz SIJTVFNECGWNPY-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842005 208351751 /nfs/dbraw/zinc/35/17/51/208351751.db2.gz SIJTVFNECGWNPY-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000118834728 208351935 /nfs/dbraw/zinc/35/19/35/208351935.db2.gz MYYXUTNKGGWWGD-QGZVFWFLSA-N 2 2 374.485 0.743 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000118834728 208351937 /nfs/dbraw/zinc/35/19/37/208351937.db2.gz MYYXUTNKGGWWGD-QGZVFWFLSA-N 2 2 374.485 0.743 20 0 FCADLP Cc1cccc(C(=O)N2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000120642990 208386790 /nfs/dbraw/zinc/38/67/90/208386790.db2.gz NFMKZMQLONIGOT-UHFFFAOYSA-N 2 2 358.486 0.917 20 0 FCADLP Cc1cccc(C(=O)N2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000120642990 208386793 /nfs/dbraw/zinc/38/67/93/208386793.db2.gz NFMKZMQLONIGOT-UHFFFAOYSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748252 210396652 /nfs/dbraw/zinc/39/66/52/210396652.db2.gz BOEUGRLESNGRSP-GOEBONIOSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748252 210396656 /nfs/dbraw/zinc/39/66/56/210396656.db2.gz BOEUGRLESNGRSP-GOEBONIOSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411945141 533209446 /nfs/dbraw/zinc/20/94/46/533209446.db2.gz PAONZTAWBAPPAB-HOTGVXAUSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411945141 533209450 /nfs/dbraw/zinc/20/94/50/533209450.db2.gz PAONZTAWBAPPAB-HOTGVXAUSA-N 2 2 359.474 0.529 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CC[NH+](C4CCOCC4)CC3)nc[nH+]2)C1 ZINC000176742611 209009576 /nfs/dbraw/zinc/00/95/76/209009576.db2.gz CXOJUQMWEFUFIN-INIZCTEOSA-N 2 2 361.490 0.986 20 0 FCADLP CC(=O)N1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000176923581 209011297 /nfs/dbraw/zinc/01/12/97/209011297.db2.gz UXAKXZQEVAGYLJ-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCNC(=O)Cc2ccccc2)CC1 ZINC000177155130 209017412 /nfs/dbraw/zinc/01/74/12/209017412.db2.gz KBKNEQFFXXVQLI-UHFFFAOYSA-N 2 2 360.502 0.878 20 0 FCADLP CCS(=O)(=O)NCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257072 209020411 /nfs/dbraw/zinc/02/04/11/209020411.db2.gz IJXWGIFBESEREH-UHFFFAOYSA-N 2 2 354.520 0.960 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257072 209020414 /nfs/dbraw/zinc/02/04/14/209020414.db2.gz IJXWGIFBESEREH-UHFFFAOYSA-N 2 2 354.520 0.960 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000178855388 209064322 /nfs/dbraw/zinc/06/43/22/209064322.db2.gz TUFYJMFFNSENAX-AEFFLSMTSA-N 2 2 358.486 0.712 20 0 FCADLP C[C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC000178876097 209062953 /nfs/dbraw/zinc/06/29/53/209062953.db2.gz UWIGYKKZKCLCJT-INIZCTEOSA-N 2 2 360.506 0.741 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000179034308 209069343 /nfs/dbraw/zinc/06/93/43/209069343.db2.gz KZJDCJUPYOGYJW-HNNXBMFYSA-N 2 2 372.469 0.767 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000179034308 209069345 /nfs/dbraw/zinc/06/93/45/209069345.db2.gz KZJDCJUPYOGYJW-HNNXBMFYSA-N 2 2 372.469 0.767 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000192453544 533448837 /nfs/dbraw/zinc/44/88/37/533448837.db2.gz DTWBSHJOGOXGDJ-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000192453544 533448843 /nfs/dbraw/zinc/44/88/43/533448843.db2.gz DTWBSHJOGOXGDJ-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1C ZINC000410431810 533406836 /nfs/dbraw/zinc/40/68/36/533406836.db2.gz DJYQYDWGVUSNDJ-GOEBONIOSA-N 2 2 360.458 0.828 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1C ZINC000410431810 533406843 /nfs/dbraw/zinc/40/68/43/533406843.db2.gz DJYQYDWGVUSNDJ-GOEBONIOSA-N 2 2 360.458 0.828 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173952914 229213362 /nfs/dbraw/zinc/21/33/62/229213362.db2.gz ZMTGQYAZONHREL-UHFFFAOYSA-N 3 2 365.526 0.934 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173952914 229213364 /nfs/dbraw/zinc/21/33/64/229213364.db2.gz ZMTGQYAZONHREL-UHFFFAOYSA-N 3 2 365.526 0.934 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175716133 229214936 /nfs/dbraw/zinc/21/49/36/229214936.db2.gz CXLAPNMEDSNIDM-XDNAFOTISA-N 2 2 370.538 0.687 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175716133 229214942 /nfs/dbraw/zinc/21/49/42/229214942.db2.gz CXLAPNMEDSNIDM-XDNAFOTISA-N 2 2 370.538 0.687 20 0 FCADLP COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000189716214 229256483 /nfs/dbraw/zinc/25/64/83/229256483.db2.gz XTFUKOBKHFCYOT-IRXDYDNUSA-N 2 2 362.474 0.856 20 0 FCADLP COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000189716214 229256488 /nfs/dbraw/zinc/25/64/88/229256488.db2.gz XTFUKOBKHFCYOT-IRXDYDNUSA-N 2 2 362.474 0.856 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000194834950 229271277 /nfs/dbraw/zinc/27/12/77/229271277.db2.gz GEPDTVGFAITKIY-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000194834950 229271281 /nfs/dbraw/zinc/27/12/81/229271281.db2.gz GEPDTVGFAITKIY-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC000194834950 229271286 /nfs/dbraw/zinc/27/12/86/229271286.db2.gz GEPDTVGFAITKIY-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC000194834950 229271291 /nfs/dbraw/zinc/27/12/91/229271291.db2.gz GEPDTVGFAITKIY-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000410433551 230077559 /nfs/dbraw/zinc/07/75/59/230077559.db2.gz LYJXOGXGSMEICZ-KRWDZBQOSA-N 2 2 373.501 0.841 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000410629701 230162883 /nfs/dbraw/zinc/16/28/83/230162883.db2.gz CKJVBYBDCHTDHY-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000410629701 230162887 /nfs/dbraw/zinc/16/28/87/230162887.db2.gz CKJVBYBDCHTDHY-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000410629701 230162889 /nfs/dbraw/zinc/16/28/89/230162889.db2.gz CKJVBYBDCHTDHY-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000410629701 230162893 /nfs/dbraw/zinc/16/28/93/230162893.db2.gz CKJVBYBDCHTDHY-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000410707741 230204364 /nfs/dbraw/zinc/20/43/64/230204364.db2.gz ZYEVTPRNBRSWFA-OAHLLOKOSA-N 2 2 373.457 0.919 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000410771122 230240354 /nfs/dbraw/zinc/24/03/54/230240354.db2.gz KNOCPNGFEUNTAA-INIZCTEOSA-N 2 2 368.522 0.092 20 0 FCADLP CCOC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932623545 674204529 /nfs/dbraw/zinc/20/45/29/674204529.db2.gz ZYRKFYXXZKEXLT-ZFWWWQNUSA-N 2 2 370.519 0.803 20 0 FCADLP CCOC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932623545 674204530 /nfs/dbraw/zinc/20/45/30/674204530.db2.gz ZYRKFYXXZKEXLT-ZFWWWQNUSA-N 2 2 370.519 0.803 20 0 FCADLP CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932623543 674204611 /nfs/dbraw/zinc/20/46/11/674204611.db2.gz ZYRKFYXXZKEXLT-HIFRSBDPSA-N 2 2 370.519 0.803 20 0 FCADLP CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932623543 674204616 /nfs/dbraw/zinc/20/46/16/674204616.db2.gz ZYRKFYXXZKEXLT-HIFRSBDPSA-N 2 2 370.519 0.803 20 0 FCADLP CCc1noc(COCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932621031 674204635 /nfs/dbraw/zinc/20/46/35/674204635.db2.gz FAIDZSXOUDLYMA-ZDUSSCGKSA-N 2 2 351.451 0.433 20 0 FCADLP CCc1noc(COCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932621031 674204637 /nfs/dbraw/zinc/20/46/37/674204637.db2.gz FAIDZSXOUDLYMA-ZDUSSCGKSA-N 2 2 351.451 0.433 20 0 FCADLP OC[C@H]1CCCN1c1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000301396704 488880074 /nfs/dbraw/zinc/88/00/74/488880074.db2.gz NBXDSIJHNTXMIG-IAGOWNOFSA-N 2 2 361.490 0.986 20 0 FCADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000301396706 488880109 /nfs/dbraw/zinc/88/01/09/488880109.db2.gz NBXDSIJHNTXMIG-SJORKVTESA-N 2 2 361.490 0.986 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794822 491189369 /nfs/dbraw/zinc/18/93/69/491189369.db2.gz ROFRKPBQTBQOEL-HIFRSBDPSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794822 491189370 /nfs/dbraw/zinc/18/93/70/491189370.db2.gz ROFRKPBQTBQOEL-HIFRSBDPSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794822 491189373 /nfs/dbraw/zinc/18/93/73/491189373.db2.gz ROFRKPBQTBQOEL-HIFRSBDPSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794822 491189374 /nfs/dbraw/zinc/18/93/74/491189374.db2.gz ROFRKPBQTBQOEL-HIFRSBDPSA-N 3 2 351.520 0.779 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[C@H](C[NH+]4CCOCC4)C3)nc[nH+]2)C1 ZINC000301475784 488881118 /nfs/dbraw/zinc/88/11/18/488881118.db2.gz WHKITBUIHPUFGE-IAGOWNOFSA-N 2 2 361.490 0.844 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000301647092 488882663 /nfs/dbraw/zinc/88/26/63/488882663.db2.gz PZSKPVDWMHKNCR-LBPRGKRZSA-N 2 2 356.434 0.034 20 0 FCADLP Nc1nc(-n2cccn2)cc(NC[C@]2([NH+]3CCOCC3)CCSC2)[nH+]1 ZINC000301641697 488882810 /nfs/dbraw/zinc/88/28/10/488882810.db2.gz NOUIRYJQGQFDJX-MRXNPFEDSA-N 2 2 361.475 0.864 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363824830 488889816 /nfs/dbraw/zinc/88/98/16/488889816.db2.gz PNHJEZBRCIAVSD-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363824830 488889819 /nfs/dbraw/zinc/88/98/19/488889819.db2.gz PNHJEZBRCIAVSD-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995705 488909424 /nfs/dbraw/zinc/90/94/24/488909424.db2.gz CBICPGNRZGKINQ-KXBFYZLASA-N 2 2 373.457 0.080 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995705 488909427 /nfs/dbraw/zinc/90/94/27/488909427.db2.gz CBICPGNRZGKINQ-KXBFYZLASA-N 2 2 373.457 0.080 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000287794564 488906895 /nfs/dbraw/zinc/90/68/95/488906895.db2.gz LTXMMKZHAMRQPA-HNNXBMFYSA-N 2 2 365.478 0.267 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC1 ZINC000287961940 488926404 /nfs/dbraw/zinc/92/64/04/488926404.db2.gz YOVKARYOTDVHJX-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCC1 ZINC000287961940 488926408 /nfs/dbraw/zinc/92/64/08/488926408.db2.gz YOVKARYOTDVHJX-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP CCOC(=O)N1CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000364188270 488932941 /nfs/dbraw/zinc/93/29/41/488932941.db2.gz FPZFQNVHCAKVHL-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000364188270 488932943 /nfs/dbraw/zinc/93/29/43/488932943.db2.gz FPZFQNVHCAKVHL-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP Cc1ccc2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)n2c1 ZINC000364204950 488935048 /nfs/dbraw/zinc/93/50/48/488935048.db2.gz DAUFFIOXSBBICM-HNNXBMFYSA-N 2 2 369.469 0.901 20 0 FCADLP Cc1ccc2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)n2c1 ZINC000364204950 488935051 /nfs/dbraw/zinc/93/50/51/488935051.db2.gz DAUFFIOXSBBICM-HNNXBMFYSA-N 2 2 369.469 0.901 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364218092 488937710 /nfs/dbraw/zinc/93/77/10/488937710.db2.gz WETCJTZKOADVEO-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364374317 488952758 /nfs/dbraw/zinc/95/27/58/488952758.db2.gz JLKOAOFZRDQMIV-MSOLQXFVSA-N 2 2 362.474 0.198 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364374317 488952761 /nfs/dbraw/zinc/95/27/61/488952761.db2.gz JLKOAOFZRDQMIV-MSOLQXFVSA-N 2 2 362.474 0.198 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000364408450 488956598 /nfs/dbraw/zinc/95/65/98/488956598.db2.gz DVVHZVNTRNPRIM-LSDHHAIUSA-N 2 2 368.503 0.413 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000328980680 488957566 /nfs/dbraw/zinc/95/75/66/488957566.db2.gz RLVHKTAOZCKBBC-SJORKVTESA-N 2 2 361.490 0.564 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000328980680 488957568 /nfs/dbraw/zinc/95/75/68/488957568.db2.gz RLVHKTAOZCKBBC-SJORKVTESA-N 2 2 361.490 0.564 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000046228491 487973417 /nfs/dbraw/zinc/97/34/17/487973417.db2.gz HFKAEWKQZRTLCT-UHFFFAOYSA-N 2 2 363.462 0.271 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051958608 488152991 /nfs/dbraw/zinc/15/29/91/488152991.db2.gz RYDZAUDRBTXFMB-QGZVFWFLSA-N 3 2 352.523 0.583 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000329070981 488965650 /nfs/dbraw/zinc/96/56/50/488965650.db2.gz YSGJCHHXAJZFLY-GJZGRUSLSA-N 2 2 371.507 0.163 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000329070982 488965704 /nfs/dbraw/zinc/96/57/04/488965704.db2.gz YSGJCHHXAJZFLY-HUUCEWRRSA-N 2 2 371.507 0.163 20 0 FCADLP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000052552400 488170576 /nfs/dbraw/zinc/17/05/76/488170576.db2.gz OLTBFWYJCIUFKS-MRXNPFEDSA-N 2 2 361.494 0.382 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000052552400 488170587 /nfs/dbraw/zinc/17/05/87/488170587.db2.gz OLTBFWYJCIUFKS-MRXNPFEDSA-N 2 2 361.494 0.382 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000054117986 488218221 /nfs/dbraw/zinc/21/82/21/488218221.db2.gz NXWNZMDTYACSFZ-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000054117986 488218227 /nfs/dbraw/zinc/21/82/27/488218227.db2.gz NXWNZMDTYACSFZ-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CC(C)(CNC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000059386291 488287804 /nfs/dbraw/zinc/28/78/04/488287804.db2.gz JNKDJGJCGRJGLI-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000067322645 488348248 /nfs/dbraw/zinc/34/82/48/488348248.db2.gz ZEXSPVFUQQUALF-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000068642743 488368657 /nfs/dbraw/zinc/36/86/57/488368657.db2.gz UJZOJWMNMGHVIP-OAHLLOKOSA-N 2 2 362.474 0.914 20 0 FCADLP CC(C)(CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000069916909 488374501 /nfs/dbraw/zinc/37/45/01/488374501.db2.gz VAGTVPRKFISNSI-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802970 488382780 /nfs/dbraw/zinc/38/27/80/488382780.db2.gz AGJLECHXVUXEFR-GOSISDBHSA-N 2 2 374.485 0.475 20 0 FCADLP NC(=O)[C@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802970 488382781 /nfs/dbraw/zinc/38/27/81/488382781.db2.gz AGJLECHXVUXEFR-GOSISDBHSA-N 2 2 374.485 0.475 20 0 FCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859327 488383174 /nfs/dbraw/zinc/38/31/74/488383174.db2.gz AXGIUIPOYALCSM-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859327 488383175 /nfs/dbraw/zinc/38/31/75/488383175.db2.gz AXGIUIPOYALCSM-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859327 488383176 /nfs/dbraw/zinc/38/31/76/488383176.db2.gz AXGIUIPOYALCSM-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859327 488383177 /nfs/dbraw/zinc/38/31/77/488383177.db2.gz AXGIUIPOYALCSM-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859324 488383237 /nfs/dbraw/zinc/38/32/37/488383237.db2.gz AXGIUIPOYALCSM-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859324 488383238 /nfs/dbraw/zinc/38/32/38/488383238.db2.gz AXGIUIPOYALCSM-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859324 488383239 /nfs/dbraw/zinc/38/32/39/488383239.db2.gz AXGIUIPOYALCSM-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000072859324 488383240 /nfs/dbraw/zinc/38/32/40/488383240.db2.gz AXGIUIPOYALCSM-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000073444489 488384597 /nfs/dbraw/zinc/38/45/97/488384597.db2.gz UEMDNZFSQGIHFE-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000073483930 488384791 /nfs/dbraw/zinc/38/47/91/488384791.db2.gz ZUMUDDZNGLOTAI-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000073483930 488384792 /nfs/dbraw/zinc/38/47/92/488384792.db2.gz ZUMUDDZNGLOTAI-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000073483928 488384828 /nfs/dbraw/zinc/38/48/28/488384828.db2.gz ZUMUDDZNGLOTAI-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000073483928 488384827 /nfs/dbraw/zinc/38/48/27/488384827.db2.gz ZUMUDDZNGLOTAI-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP C[NH+]1CCC(CNC(=O)NCC(=O)N2CCCC2)([NH+]2CCCCC2)CC1 ZINC000073571069 488384966 /nfs/dbraw/zinc/38/49/66/488384966.db2.gz GWSOLJSQDYXJLU-UHFFFAOYSA-N 2 2 365.522 0.858 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000073586396 488384983 /nfs/dbraw/zinc/38/49/83/488384983.db2.gz QQDBCEDPBHRCCC-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000073586396 488384984 /nfs/dbraw/zinc/38/49/84/488384984.db2.gz QQDBCEDPBHRCCC-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074110353 488387546 /nfs/dbraw/zinc/38/75/46/488387546.db2.gz JJSUMHCDSVQPOU-BRWVUGGUSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000185815467 488403087 /nfs/dbraw/zinc/40/30/87/488403087.db2.gz REDGZZPOCQSILC-QZTJIDSGSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@H](CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000185815467 488403088 /nfs/dbraw/zinc/40/30/88/488403088.db2.gz REDGZZPOCQSILC-QZTJIDSGSA-N 2 2 368.570 0.195 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000076454155 488404945 /nfs/dbraw/zinc/40/49/45/488404945.db2.gz KTOKWMFNCHCHLM-OAHLLOKOSA-N 2 2 371.445 0.335 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000076454155 488404947 /nfs/dbraw/zinc/40/49/47/488404947.db2.gz KTOKWMFNCHCHLM-OAHLLOKOSA-N 2 2 371.445 0.335 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000076454327 488405126 /nfs/dbraw/zinc/40/51/26/488405126.db2.gz SDJMICRTKFOHKR-INIZCTEOSA-N 2 2 370.457 0.940 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000076454327 488405128 /nfs/dbraw/zinc/40/51/28/488405128.db2.gz SDJMICRTKFOHKR-INIZCTEOSA-N 2 2 370.457 0.940 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000077180174 488409530 /nfs/dbraw/zinc/40/95/30/488409530.db2.gz QARVGMPTILTCFX-UHFFFAOYSA-N 2 2 355.442 0.825 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077828043 488418713 /nfs/dbraw/zinc/41/87/13/488418713.db2.gz INUYNOYAHQGZPA-KRWDZBQOSA-N 2 2 356.511 0.755 20 0 FCADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000191135631 488418793 /nfs/dbraw/zinc/41/87/93/488418793.db2.gz DDJNVSKSQZBSNI-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP CC(C)[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079066527 488426871 /nfs/dbraw/zinc/42/68/71/488426871.db2.gz ISLKBWXPAMQDGJ-KRWDZBQOSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)[C@H](CNC(=O)NCCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000079066527 488426874 /nfs/dbraw/zinc/42/68/74/488426874.db2.gz ISLKBWXPAMQDGJ-KRWDZBQOSA-N 2 2 355.527 0.280 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083002414 488446801 /nfs/dbraw/zinc/44/68/01/488446801.db2.gz MZOOJNIYHHXXJV-AEFFLSMTSA-N 2 2 353.507 0.793 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083002414 488446804 /nfs/dbraw/zinc/44/68/04/488446804.db2.gz MZOOJNIYHHXXJV-AEFFLSMTSA-N 2 2 353.507 0.793 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000087136789 488453815 /nfs/dbraw/zinc/45/38/15/488453815.db2.gz GRWMZROFKHCUMH-DLBZAZTESA-N 2 2 365.522 0.666 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000087136789 488453817 /nfs/dbraw/zinc/45/38/17/488453817.db2.gz GRWMZROFKHCUMH-DLBZAZTESA-N 2 2 365.522 0.666 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000087138112 488453858 /nfs/dbraw/zinc/45/38/58/488453858.db2.gz HWDZVBDONQCXLP-HZPDHXFCSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000087138112 488453860 /nfs/dbraw/zinc/45/38/60/488453860.db2.gz HWDZVBDONQCXLP-HZPDHXFCSA-N 2 2 365.522 0.807 20 0 FCADLP C[NH+](C)CCOc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1Cl ZINC000237196936 488454985 /nfs/dbraw/zinc/45/49/85/488454985.db2.gz UPQBELNNZSVKBQ-UHFFFAOYSA-N 2 2 354.838 0.651 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237422725 488455462 /nfs/dbraw/zinc/45/54/62/488455462.db2.gz FYVALEXYBOGDOL-AEFFLSMTSA-N 2 2 374.485 0.120 20 0 FCADLP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000268900271 488456005 /nfs/dbraw/zinc/45/60/05/488456005.db2.gz LDOCIGLGUWOBPD-AWEZNQCLSA-N 2 2 368.503 0.237 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000245950278 488468430 /nfs/dbraw/zinc/46/84/30/488468430.db2.gz YLANQCBGLQPBOY-JZXOWHBKSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246441975 488472778 /nfs/dbraw/zinc/47/27/78/488472778.db2.gz NWZUENUQUNHEHA-QBPKDAKJSA-N 2 2 356.511 0.894 20 0 FCADLP Cn1cc(C[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)c(=O)n(C)c1=O ZINC000092032250 488472779 /nfs/dbraw/zinc/47/27/79/488472779.db2.gz AINJUEZDGJSNJR-UHFFFAOYSA-N 2 2 351.476 0.083 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)cn2)CC1 ZINC000093278396 488479529 /nfs/dbraw/zinc/47/95/29/488479529.db2.gz AWPSOBWCXQMKRV-KRWDZBQOSA-N 2 2 358.490 0.815 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)cn2)CC1 ZINC000093278396 488479531 /nfs/dbraw/zinc/47/95/31/488479531.db2.gz AWPSOBWCXQMKRV-KRWDZBQOSA-N 2 2 358.490 0.815 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269228308 488480842 /nfs/dbraw/zinc/48/08/42/488480842.db2.gz GRASVCHFAPINIY-LPHOPBHVSA-N 2 2 371.485 0.638 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340907 488485140 /nfs/dbraw/zinc/48/51/40/488485140.db2.gz ZWWJSPODHIFVJH-NJAFHUGGSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340907 488485142 /nfs/dbraw/zinc/48/51/42/488485142.db2.gz ZWWJSPODHIFVJH-NJAFHUGGSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340907 488485146 /nfs/dbraw/zinc/48/51/46/488485146.db2.gz ZWWJSPODHIFVJH-NJAFHUGGSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340907 488485150 /nfs/dbraw/zinc/48/51/50/488485150.db2.gz ZWWJSPODHIFVJH-NJAFHUGGSA-N 2 2 371.485 0.475 20 0 FCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000247701176 488488835 /nfs/dbraw/zinc/48/88/35/488488835.db2.gz XXFDGHXFXQCXNA-INIZCTEOSA-N 2 2 374.551 0.192 20 0 FCADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000247701176 488488836 /nfs/dbraw/zinc/48/88/36/488488836.db2.gz XXFDGHXFXQCXNA-INIZCTEOSA-N 2 2 374.551 0.192 20 0 FCADLP [NH3+]Cc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000269313360 488490545 /nfs/dbraw/zinc/49/05/45/488490545.db2.gz YDHPPACCLLYWPF-UHFFFAOYSA-N 3 2 360.487 0.939 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000103150727 488499586 /nfs/dbraw/zinc/49/95/86/488499586.db2.gz QGQAZUMDBFNIGF-KRWDZBQOSA-N 2 2 365.449 0.805 20 0 FCADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649508 488500237 /nfs/dbraw/zinc/50/02/37/488500237.db2.gz LFJONWBYHWREFG-ZWKOTPCHSA-N 2 2 373.501 0.559 20 0 FCADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649508 488500239 /nfs/dbraw/zinc/50/02/39/488500239.db2.gz LFJONWBYHWREFG-ZWKOTPCHSA-N 2 2 373.501 0.559 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649508 488500245 /nfs/dbraw/zinc/50/02/45/488500245.db2.gz LFJONWBYHWREFG-ZWKOTPCHSA-N 2 2 373.501 0.559 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000103505144 488502878 /nfs/dbraw/zinc/50/28/78/488502878.db2.gz DRDIWLRPQYIQPQ-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780530 488506034 /nfs/dbraw/zinc/50/60/34/488506034.db2.gz SOMQBJMLCKJCOB-HNNXBMFYSA-N 2 2 372.473 0.763 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780530 488506036 /nfs/dbraw/zinc/50/60/36/488506036.db2.gz SOMQBJMLCKJCOB-HNNXBMFYSA-N 2 2 372.473 0.763 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)nn1 ZINC000269474469 488507190 /nfs/dbraw/zinc/50/71/90/488507190.db2.gz MMFFRTBVROCZOB-UHFFFAOYSA-N 2 2 360.418 0.219 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105233199 488508803 /nfs/dbraw/zinc/50/88/03/488508803.db2.gz WKHVRZIFRRJJCZ-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249594407 488512950 /nfs/dbraw/zinc/51/29/50/488512950.db2.gz WKPLENMPGGZOIP-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249594407 488512952 /nfs/dbraw/zinc/51/29/52/488512952.db2.gz WKPLENMPGGZOIP-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249594407 488512955 /nfs/dbraw/zinc/51/29/55/488512955.db2.gz WKPLENMPGGZOIP-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249594407 488512957 /nfs/dbraw/zinc/51/29/57/488512957.db2.gz WKPLENMPGGZOIP-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC000249650098 488513710 /nfs/dbraw/zinc/51/37/10/488513710.db2.gz YPHDAZRFMQVZNT-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC000249650098 488513712 /nfs/dbraw/zinc/51/37/12/488513712.db2.gz YPHDAZRFMQVZNT-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC000249650098 488513715 /nfs/dbraw/zinc/51/37/15/488513715.db2.gz YPHDAZRFMQVZNT-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC000249650098 488513718 /nfs/dbraw/zinc/51/37/18/488513718.db2.gz YPHDAZRFMQVZNT-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000269916703 488514202 /nfs/dbraw/zinc/51/42/02/488514202.db2.gz LKCQNRLCGFXVJP-GOSISDBHSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000269916703 488514205 /nfs/dbraw/zinc/51/42/05/488514205.db2.gz LKCQNRLCGFXVJP-GOSISDBHSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000269916703 488514208 /nfs/dbraw/zinc/51/42/08/488514208.db2.gz LKCQNRLCGFXVJP-GOSISDBHSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000269916703 488514211 /nfs/dbraw/zinc/51/42/11/488514211.db2.gz LKCQNRLCGFXVJP-GOSISDBHSA-N 2 2 358.486 0.837 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106524995 488514853 /nfs/dbraw/zinc/51/48/53/488514853.db2.gz DUFWVISHORERIY-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106524995 488514855 /nfs/dbraw/zinc/51/48/55/488514855.db2.gz DUFWVISHORERIY-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000253556582 488521745 /nfs/dbraw/zinc/52/17/45/488521745.db2.gz RUYSKLCWOVMSOO-NEPJUHHUSA-N 2 2 360.418 0.513 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000253556582 488521747 /nfs/dbraw/zinc/52/17/47/488521747.db2.gz RUYSKLCWOVMSOO-NEPJUHHUSA-N 2 2 360.418 0.513 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCOCC2)c1 ZINC000109948318 488524670 /nfs/dbraw/zinc/52/46/70/488524670.db2.gz LKKFWOQJUVEEPZ-LJQANCHMSA-N 2 2 360.502 0.732 20 0 FCADLP Cc1cccc([C@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCOCC2)c1 ZINC000109948322 488524798 /nfs/dbraw/zinc/52/47/98/488524798.db2.gz LKKFWOQJUVEEPZ-IBGZPJMESA-N 2 2 360.502 0.732 20 0 FCADLP C[NH2+][C@H]1CCCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261691932 488531408 /nfs/dbraw/zinc/53/14/08/488531408.db2.gz FFTFWKCJCFRUEK-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000111812427 488531570 /nfs/dbraw/zinc/53/15/70/488531570.db2.gz MBBJXARASHWELR-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000111812427 488531572 /nfs/dbraw/zinc/53/15/72/488531572.db2.gz MBBJXARASHWELR-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP O=S(=O)(NCC(F)(F)F)NC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261835191 488537558 /nfs/dbraw/zinc/53/75/58/488537558.db2.gz RNBUFIGVARVWEG-LLVKDONJSA-N 2 2 358.430 0.437 20 0 FCADLP O=C(NCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@H]1CCC[NH2+]1 ZINC000261864568 488539024 /nfs/dbraw/zinc/53/90/24/488539024.db2.gz USHIWRCHSAJDOA-MRXNPFEDSA-N 2 2 371.441 0.937 20 0 FCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000114368263 488539693 /nfs/dbraw/zinc/53/96/93/488539693.db2.gz BTWVLGNLKCNIST-INIZCTEOSA-N 2 2 361.490 0.674 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902370 488541250 /nfs/dbraw/zinc/54/12/50/488541250.db2.gz RVDVNYNMPDNKHH-ZIAGYGMSSA-N 2 2 365.503 0.686 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902370 488541253 /nfs/dbraw/zinc/54/12/53/488541253.db2.gz RVDVNYNMPDNKHH-ZIAGYGMSSA-N 2 2 365.503 0.686 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cn2)CC1 ZINC000119529492 488557684 /nfs/dbraw/zinc/55/76/84/488557684.db2.gz PIAHXKKLLGEEPD-UHFFFAOYSA-N 3 2 373.549 0.442 20 0 FCADLP C[NH2+][C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357899 488566143 /nfs/dbraw/zinc/56/61/43/488566143.db2.gz JZYPQONRHPWEKT-IRXDYDNUSA-N 2 2 370.457 0.769 20 0 FCADLP C[NH2+][C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357899 488566146 /nfs/dbraw/zinc/56/61/46/488566146.db2.gz JZYPQONRHPWEKT-IRXDYDNUSA-N 2 2 370.457 0.769 20 0 FCADLP C[C@H](NC(=O)c1ccco1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122981779 488582144 /nfs/dbraw/zinc/58/21/44/488582144.db2.gz IBIHXPNHACVFJQ-AWEZNQCLSA-N 2 2 350.463 0.882 20 0 FCADLP C[C@H](NC(=O)c1ccco1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122981779 488582146 /nfs/dbraw/zinc/58/21/46/488582146.db2.gz IBIHXPNHACVFJQ-AWEZNQCLSA-N 2 2 350.463 0.882 20 0 FCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000262679121 488585916 /nfs/dbraw/zinc/58/59/16/488585916.db2.gz SDIICQRZTBUIRV-HOCLYGCPSA-N 2 2 351.472 0.233 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CSC[NH2+]1 ZINC000262680577 488586115 /nfs/dbraw/zinc/58/61/15/488586115.db2.gz SMIYEYZGTIODNR-OAHLLOKOSA-N 2 2 351.472 0.676 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)CC1 ZINC000262702107 488587092 /nfs/dbraw/zinc/58/70/92/488587092.db2.gz ZIBUVEIYOYBTBC-AWEZNQCLSA-N 2 2 370.500 0.224 20 0 FCADLP C[C@]1(O)CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000123830904 488587638 /nfs/dbraw/zinc/58/76/38/488587638.db2.gz YVJJROZYQLOIOK-SFHVURJKSA-N 2 2 353.507 0.985 20 0 FCADLP C[C@]1(O)CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000123830904 488587640 /nfs/dbraw/zinc/58/76/40/488587640.db2.gz YVJJROZYQLOIOK-SFHVURJKSA-N 2 2 353.507 0.985 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000272603415 488591643 /nfs/dbraw/zinc/59/16/43/488591643.db2.gz YASNIXSWDKIBRS-UHFFFAOYSA-N 2 2 367.515 0.686 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000272603415 488591645 /nfs/dbraw/zinc/59/16/45/488591645.db2.gz YASNIXSWDKIBRS-UHFFFAOYSA-N 2 2 367.515 0.686 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000124391288 488592387 /nfs/dbraw/zinc/59/23/87/488592387.db2.gz GDKJQNCMBLZVFI-CVEARBPZSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000124391288 488592390 /nfs/dbraw/zinc/59/23/90/488592390.db2.gz GDKJQNCMBLZVFI-CVEARBPZSA-N 2 2 374.551 0.621 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000563056341 491210883 /nfs/dbraw/zinc/21/08/83/491210883.db2.gz IWEANVBPBIPMJJ-ULQDDVLXSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000125193932 488598610 /nfs/dbraw/zinc/59/86/10/488598610.db2.gz HYIOWORCCIXWHR-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000125254930 488599224 /nfs/dbraw/zinc/59/92/24/488599224.db2.gz CYPBCELERKHHCO-RBUKOAKNSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000125255135 488599417 /nfs/dbraw/zinc/59/94/17/488599417.db2.gz CYPBCELERKHHCO-RTBURBONSA-N 2 2 373.545 0.949 20 0 FCADLP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000263247017 488607360 /nfs/dbraw/zinc/60/73/60/488607360.db2.gz IAHOTUWCFGHRAP-HOTGVXAUSA-N 2 2 360.458 0.815 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000263255757 488608145 /nfs/dbraw/zinc/60/81/45/488608145.db2.gz QPNBTJTUIPRNLT-CJNGLKHVSA-N 2 2 356.417 0.783 20 0 FCADLP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000263667973 488617370 /nfs/dbraw/zinc/61/73/70/488617370.db2.gz IGKLEEVMBIJYBD-GOSISDBHSA-N 3 2 374.533 0.346 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000127669013 488619070 /nfs/dbraw/zinc/61/90/70/488619070.db2.gz PZSXRMBIRAYPDW-KRWDZBQOSA-N 2 2 360.506 0.986 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000263813197 488628899 /nfs/dbraw/zinc/62/88/99/488628899.db2.gz XFWAZLKJYCMDDY-HNNXBMFYSA-N 2 2 365.478 0.684 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000263813197 488628900 /nfs/dbraw/zinc/62/89/00/488628900.db2.gz XFWAZLKJYCMDDY-HNNXBMFYSA-N 2 2 365.478 0.684 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000263814146 488629034 /nfs/dbraw/zinc/62/90/34/488629034.db2.gz XQGWMAVKZCMXEN-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000263814146 488629037 /nfs/dbraw/zinc/62/90/37/488629037.db2.gz XQGWMAVKZCMXEN-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000129691872 488632844 /nfs/dbraw/zinc/63/28/44/488632844.db2.gz WTADZOMBDGZOOP-RDJZCZTQSA-N 2 2 356.536 0.787 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000131869028 488649267 /nfs/dbraw/zinc/64/92/67/488649267.db2.gz XGHBQAAGBYDEEZ-GOSISDBHSA-N 2 2 359.430 0.454 20 0 FCADLP COc1ccc(C(=O)NCCN2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000131934218 488649714 /nfs/dbraw/zinc/64/97/14/488649714.db2.gz BTIVDQFETUETNI-UHFFFAOYSA-N 2 2 357.458 0.939 20 0 FCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264169699 488651871 /nfs/dbraw/zinc/65/18/71/488651871.db2.gz HOGPYENSRPCRSU-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264169699 488651873 /nfs/dbraw/zinc/65/18/73/488651873.db2.gz HOGPYENSRPCRSU-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000264370819 488668016 /nfs/dbraw/zinc/66/80/16/488668016.db2.gz QVCUXVKYBMKBFD-QGZVFWFLSA-N 2 2 360.506 0.545 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264479631 488677689 /nfs/dbraw/zinc/67/76/89/488677689.db2.gz ZUKYYZFCXZWEJI-UYAOXDASSA-N 2 2 373.545 0.727 20 0 FCADLP CSCC[C@@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000138079729 488681920 /nfs/dbraw/zinc/68/19/20/488681920.db2.gz TYIYZYPDBQWECM-HNNXBMFYSA-N 2 2 358.552 0.958 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(C[NH+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000138737026 488682962 /nfs/dbraw/zinc/68/29/62/488682962.db2.gz MQTJMFUKSVOMIA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(C[NH+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000138737026 488682965 /nfs/dbraw/zinc/68/29/65/488682965.db2.gz MQTJMFUKSVOMIA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000138737026 488682966 /nfs/dbraw/zinc/68/29/66/488682966.db2.gz MQTJMFUKSVOMIA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1 ZINC000138737026 488682969 /nfs/dbraw/zinc/68/29/69/488682969.db2.gz MQTJMFUKSVOMIA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264556236 488685242 /nfs/dbraw/zinc/68/52/42/488685242.db2.gz DOXQQKMZTAQORA-MRXNPFEDSA-N 2 2 374.489 0.821 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264556236 488685245 /nfs/dbraw/zinc/68/52/45/488685245.db2.gz DOXQQKMZTAQORA-MRXNPFEDSA-N 2 2 374.489 0.821 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)c1ccsc1 ZINC000274247992 488693598 /nfs/dbraw/zinc/69/35/98/488693598.db2.gz XTPPRRVODKSGAC-HNNXBMFYSA-N 2 2 361.533 0.993 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCOCC1 ZINC000151212331 488702830 /nfs/dbraw/zinc/70/28/30/488702830.db2.gz QDXCTIVSPVGMAH-QGZVFWFLSA-N 2 2 370.538 0.831 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151332000 488704142 /nfs/dbraw/zinc/70/41/42/488704142.db2.gz BXOFGMIITFKICN-HNNXBMFYSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151332000 488704145 /nfs/dbraw/zinc/70/41/45/488704145.db2.gz BXOFGMIITFKICN-HNNXBMFYSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151332000 488704147 /nfs/dbraw/zinc/70/41/47/488704147.db2.gz BXOFGMIITFKICN-HNNXBMFYSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151332000 488704150 /nfs/dbraw/zinc/70/41/50/488704150.db2.gz BXOFGMIITFKICN-HNNXBMFYSA-N 2 2 360.462 0.056 20 0 FCADLP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000570118699 491218239 /nfs/dbraw/zinc/21/82/39/491218239.db2.gz CZLZGPHVGGYAHB-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000152629262 488720971 /nfs/dbraw/zinc/72/09/71/488720971.db2.gz MSTLMAKKVSAHSO-INIZCTEOSA-N 2 2 355.442 0.642 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000152629262 488720973 /nfs/dbraw/zinc/72/09/73/488720973.db2.gz MSTLMAKKVSAHSO-INIZCTEOSA-N 2 2 355.442 0.642 20 0 FCADLP C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000153470862 488731785 /nfs/dbraw/zinc/73/17/85/488731785.db2.gz RPVAMDRMWFAKDG-DNVCBOLYSA-N 2 2 366.481 0.765 20 0 FCADLP C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000274762132 488732282 /nfs/dbraw/zinc/73/22/82/488732282.db2.gz IGHYGHXNCMKXNB-PBHICJAKSA-N 2 2 350.438 0.522 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266833550 488735321 /nfs/dbraw/zinc/73/53/21/488735321.db2.gz LKLKBMOEKOOPDA-UHFFFAOYSA-N 2 2 374.485 0.413 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000266898610 488741345 /nfs/dbraw/zinc/74/13/45/488741345.db2.gz FSWCVZBHXUMGCQ-UHFFFAOYSA-N 2 2 365.459 0.269 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000266927521 488744948 /nfs/dbraw/zinc/74/49/48/488744948.db2.gz NORKDIIXVSPEQS-UHFFFAOYSA-N 2 2 362.459 0.630 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)Cc1ccccc1 ZINC000274945797 488746498 /nfs/dbraw/zinc/74/64/98/488746498.db2.gz CHYBTHZSUVCDID-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000274945797 488746499 /nfs/dbraw/zinc/74/64/99/488746499.db2.gz CHYBTHZSUVCDID-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)CC1=O ZINC000274979777 488750118 /nfs/dbraw/zinc/75/01/18/488750118.db2.gz ZCWRKHVMFDJRMY-HNNXBMFYSA-N 2 2 374.489 0.668 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]cn2)CC1=O ZINC000274979777 488750122 /nfs/dbraw/zinc/75/01/22/488750122.db2.gz ZCWRKHVMFDJRMY-HNNXBMFYSA-N 2 2 374.489 0.668 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000155053561 488750383 /nfs/dbraw/zinc/75/03/83/488750383.db2.gz HHWNWGBTPDFEMM-HUUCEWRRSA-N 2 2 373.461 0.689 20 0 FCADLP C[NH+]1CCC(NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000155214165 488752917 /nfs/dbraw/zinc/75/29/17/488752917.db2.gz ZLGFMTVDSVWWME-UHFFFAOYSA-N 2 2 351.495 0.324 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000155874829 488760521 /nfs/dbraw/zinc/76/05/21/488760521.db2.gz OZIDZWQVPGWZNG-UHFFFAOYSA-N 2 2 357.462 0.792 20 0 FCADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288634 488770127 /nfs/dbraw/zinc/77/01/27/488770127.db2.gz ZTQMKAVDAIEQDY-IRXDYDNUSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](O)C[C@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288634 488770130 /nfs/dbraw/zinc/77/01/30/488770130.db2.gz ZTQMKAVDAIEQDY-IRXDYDNUSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288792 488770482 /nfs/dbraw/zinc/77/04/82/488770482.db2.gz ZTQMKAVDAIEQDY-SJORKVTESA-N 2 2 362.474 0.592 20 0 FCADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288792 488770483 /nfs/dbraw/zinc/77/04/83/488770483.db2.gz ZTQMKAVDAIEQDY-SJORKVTESA-N 2 2 362.474 0.592 20 0 FCADLP CN(C)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000267230191 488770810 /nfs/dbraw/zinc/77/08/10/488770810.db2.gz KSSIOXWRTYNJLW-CQSZACIVSA-N 2 2 361.446 0.267 20 0 FCADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275208714 488773074 /nfs/dbraw/zinc/77/30/74/488773074.db2.gz RTUWJKNPNRYADV-ZYSHUDEJSA-N 2 2 371.485 0.822 20 0 FCADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275208714 488773076 /nfs/dbraw/zinc/77/30/76/488773076.db2.gz RTUWJKNPNRYADV-ZYSHUDEJSA-N 2 2 371.485 0.822 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000570165242 491221314 /nfs/dbraw/zinc/22/13/14/491221314.db2.gz PSPHGDPMHNNDSP-IIBYNOLFSA-N 2 2 370.497 0.729 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000267323990 488777889 /nfs/dbraw/zinc/77/78/89/488777889.db2.gz HXWPJDVZVMILDL-UHFFFAOYSA-N 2 2 358.450 0.810 20 0 FCADLP Cn1cc(CCC[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000158701467 488779891 /nfs/dbraw/zinc/77/98/91/488779891.db2.gz ZWJPQWPGDPPWFO-UHFFFAOYSA-N 2 2 371.489 0.802 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000159169057 488783690 /nfs/dbraw/zinc/78/36/90/488783690.db2.gz WREKLJOBMGHRGV-UHFFFAOYSA-N 2 2 374.489 0.119 20 0 FCADLP Cn1cccc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161724133 488798329 /nfs/dbraw/zinc/79/83/29/488798329.db2.gz DQOMRVYKJMEDSK-UHFFFAOYSA-N 2 2 363.487 0.662 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000563152183 491222648 /nfs/dbraw/zinc/22/26/48/491222648.db2.gz VQLPDOKQIBXHJO-IKGGRYGDSA-N 2 2 359.474 0.989 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)n1C ZINC000267647164 488809246 /nfs/dbraw/zinc/80/92/46/488809246.db2.gz VMHHYSNUESDLAP-UHFFFAOYSA-N 2 2 373.461 0.717 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000563152185 491222826 /nfs/dbraw/zinc/22/28/26/491222826.db2.gz VQLPDOKQIBXHJO-ZACQAIPSSA-N 2 2 359.474 0.989 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[NH2+]CC3CC3)c2)CC1 ZINC000166133017 488811560 /nfs/dbraw/zinc/81/15/60/488811560.db2.gz YYUQDKDLDVOODJ-UHFFFAOYSA-N 2 2 366.487 0.561 20 0 FCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000168176784 488812553 /nfs/dbraw/zinc/81/25/53/488812553.db2.gz VFBHICKNKIOECH-GJZGRUSLSA-N 2 2 353.488 0.958 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000168553055 488812738 /nfs/dbraw/zinc/81/27/38/488812738.db2.gz SKKABRVJJVHFPL-QGZVFWFLSA-N 2 2 374.485 0.711 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000168550703 488812860 /nfs/dbraw/zinc/81/28/60/488812860.db2.gz LHOQLHRDTDTIAM-KRWDZBQOSA-N 2 2 374.485 0.569 20 0 FCADLP C[C@@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000171243344 488821501 /nfs/dbraw/zinc/82/15/01/488821501.db2.gz TXRGUZRSDMMHCS-PKOBYXMFSA-N 2 2 360.502 0.812 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)c1ccco1 ZINC000171607318 488824343 /nfs/dbraw/zinc/82/43/43/488824343.db2.gz NMJKWWVXVWTXLJ-UHFFFAOYSA-N 2 2 365.478 0.677 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)c1ccco1 ZINC000171607318 488824344 /nfs/dbraw/zinc/82/43/44/488824344.db2.gz NMJKWWVXVWTXLJ-UHFFFAOYSA-N 2 2 365.478 0.677 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000171961637 488829320 /nfs/dbraw/zinc/82/93/20/488829320.db2.gz NMJHLHILKQMFDN-HOTGVXAUSA-N 2 2 359.474 0.577 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000171961637 488829321 /nfs/dbraw/zinc/82/93/21/488829321.db2.gz NMJHLHILKQMFDN-HOTGVXAUSA-N 2 2 359.474 0.577 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171977996 488829499 /nfs/dbraw/zinc/82/94/99/488829499.db2.gz ILSFZTAZKTVSOA-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171977996 488829500 /nfs/dbraw/zinc/82/95/00/488829500.db2.gz ILSFZTAZKTVSOA-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP Cc1ccc(N2CCC(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000172199527 488831214 /nfs/dbraw/zinc/83/12/14/488831214.db2.gz OIDBNAIOJMKHEQ-UHFFFAOYSA-N 2 2 373.501 0.887 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000172323943 488833165 /nfs/dbraw/zinc/83/31/65/488833165.db2.gz AHDGCCWMYRWRIB-MJGOQNOKSA-N 2 2 374.485 0.339 20 0 FCADLP O=C1C[C@H]([NH2+]CC2=Cc3ccccc3OC2)CN1CC[NH+]1CCOCC1 ZINC000172697354 488836810 /nfs/dbraw/zinc/83/68/10/488836810.db2.gz MHVLFWCNHMFRQN-SFHVURJKSA-N 2 2 357.454 0.985 20 0 FCADLP CCc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172696853 488836827 /nfs/dbraw/zinc/83/68/27/488836827.db2.gz OYTJJILTOAZGAQ-CYBMUJFWSA-N 2 2 369.897 0.659 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172789142 488837741 /nfs/dbraw/zinc/83/77/41/488837741.db2.gz FDKLNEMIHJCQKR-LJQANCHMSA-N 2 2 373.545 0.951 20 0 FCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173219986 488841680 /nfs/dbraw/zinc/84/16/80/488841680.db2.gz XRPMXEOFQRGVOY-OAHLLOKOSA-N 2 2 352.398 0.679 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000173290182 488842184 /nfs/dbraw/zinc/84/21/84/488842184.db2.gz DOJIHVWPGJUSFU-IAGOWNOFSA-N 2 2 361.490 0.117 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000173290182 488842185 /nfs/dbraw/zinc/84/21/85/488842185.db2.gz DOJIHVWPGJUSFU-IAGOWNOFSA-N 2 2 361.490 0.117 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173600577 488843833 /nfs/dbraw/zinc/84/38/33/488843833.db2.gz FESHLBZNVYWEAL-QZTJIDSGSA-N 2 2 350.507 0.921 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173600577 488843834 /nfs/dbraw/zinc/84/38/34/488843834.db2.gz FESHLBZNVYWEAL-QZTJIDSGSA-N 2 2 350.507 0.921 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000174243331 488848074 /nfs/dbraw/zinc/84/80/74/488848074.db2.gz ZNDZFHKMDGPFHJ-IAGOWNOFSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000174691050 488850601 /nfs/dbraw/zinc/85/06/01/488850601.db2.gz QUWHRHJGEMJLRD-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000174691050 488850602 /nfs/dbraw/zinc/85/06/02/488850602.db2.gz QUWHRHJGEMJLRD-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000174726564 488850945 /nfs/dbraw/zinc/85/09/45/488850945.db2.gz AFDLXZRMYCNVEF-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000174726564 488850946 /nfs/dbraw/zinc/85/09/46/488850946.db2.gz AFDLXZRMYCNVEF-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000174760343 488851255 /nfs/dbraw/zinc/85/12/55/488851255.db2.gz GUHURVVDAUBDNC-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000174785353 488851291 /nfs/dbraw/zinc/85/12/91/488851291.db2.gz RMSYBLRTPDHULK-DLBZAZTESA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000175179829 488853279 /nfs/dbraw/zinc/85/32/79/488853279.db2.gz UGEQRVVIODPWAO-SJORKVTESA-N 2 2 355.527 0.137 20 0 FCADLP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000175179829 488853280 /nfs/dbraw/zinc/85/32/80/488853280.db2.gz UGEQRVVIODPWAO-SJORKVTESA-N 2 2 355.527 0.137 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000175548246 488854512 /nfs/dbraw/zinc/85/45/12/488854512.db2.gz UVHHSTKVLLNTGD-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000175693260 488854917 /nfs/dbraw/zinc/85/49/17/488854917.db2.gz MSYSWLZIRJVAGT-ZWKOTPCHSA-N 2 2 368.522 0.707 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000175803703 488855554 /nfs/dbraw/zinc/85/55/54/488855554.db2.gz IIJYQSDCJVEBRU-ZACQAIPSSA-N 2 2 354.495 0.317 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000176339491 488858273 /nfs/dbraw/zinc/85/82/73/488858273.db2.gz ZDRMQXARYODYFN-KRWDZBQOSA-N 2 2 369.554 0.811 20 0 FCADLP CC(C)([NH3+])CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000178770022 488860638 /nfs/dbraw/zinc/86/06/38/488860638.db2.gz GPFNCJIBDBYTNB-UHFFFAOYSA-N 2 2 350.438 0.827 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000179128282 488860865 /nfs/dbraw/zinc/86/08/65/488860865.db2.gz FXHHZLROHSABIY-QGZVFWFLSA-N 3 2 353.555 0.497 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000179285181 488860980 /nfs/dbraw/zinc/86/09/80/488860980.db2.gz YUPAMYZRHMZSMC-KRWDZBQOSA-N 3 2 367.538 0.376 20 0 FCADLP CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000179612524 488861366 /nfs/dbraw/zinc/86/13/66/488861366.db2.gz QURJVGHGVKRAOJ-UHFFFAOYSA-N 2 2 370.538 0.744 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182200436 488864347 /nfs/dbraw/zinc/86/43/47/488864347.db2.gz GKBZLNBQTWNAMG-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000329172149 488976733 /nfs/dbraw/zinc/97/67/33/488976733.db2.gz KXVUJGLIZDCGNB-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000329172149 488976739 /nfs/dbraw/zinc/97/67/39/488976739.db2.gz KXVUJGLIZDCGNB-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COCC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000329172149 488976742 /nfs/dbraw/zinc/97/67/42/488976742.db2.gz KXVUJGLIZDCGNB-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COCC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000329172149 488976746 /nfs/dbraw/zinc/97/67/46/488976746.db2.gz KXVUJGLIZDCGNB-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000329277138 488988712 /nfs/dbraw/zinc/98/87/12/488988712.db2.gz JEDPBRPIVQUMGH-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000329277138 488988715 /nfs/dbraw/zinc/98/87/15/488988715.db2.gz JEDPBRPIVQUMGH-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000329277138 488988718 /nfs/dbraw/zinc/98/87/18/488988718.db2.gz JEDPBRPIVQUMGH-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000329277138 488988720 /nfs/dbraw/zinc/98/87/20/488988720.db2.gz JEDPBRPIVQUMGH-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334820 488994403 /nfs/dbraw/zinc/99/44/03/488994403.db2.gz KXMWMNUGYAGWSO-CRAIPNDOSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334820 488994406 /nfs/dbraw/zinc/99/44/06/488994406.db2.gz KXMWMNUGYAGWSO-CRAIPNDOSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329334820 488994410 /nfs/dbraw/zinc/99/44/10/488994410.db2.gz KXMWMNUGYAGWSO-CRAIPNDOSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329334820 488994413 /nfs/dbraw/zinc/99/44/13/488994413.db2.gz KXMWMNUGYAGWSO-CRAIPNDOSA-N 2 2 353.507 0.933 20 0 FCADLP CN(C)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364760443 488998586 /nfs/dbraw/zinc/99/85/86/488998586.db2.gz VWNSHANDPMVUDJ-HNNXBMFYSA-N 2 2 373.501 0.976 20 0 FCADLP CN(C)c1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364760443 488998588 /nfs/dbraw/zinc/99/85/88/488998588.db2.gz VWNSHANDPMVUDJ-HNNXBMFYSA-N 2 2 373.501 0.976 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483410 489008368 /nfs/dbraw/zinc/00/83/68/489008368.db2.gz FFTGKSMSLUPATD-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483410 489008371 /nfs/dbraw/zinc/00/83/71/489008371.db2.gz FFTGKSMSLUPATD-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329483410 489008374 /nfs/dbraw/zinc/00/83/74/489008374.db2.gz FFTGKSMSLUPATD-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329483410 489008377 /nfs/dbraw/zinc/00/83/77/489008377.db2.gz FFTGKSMSLUPATD-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP CCO[C@@H]1C[C@](CO)([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000364840033 489009057 /nfs/dbraw/zinc/00/90/57/489009057.db2.gz LIELFZDLJCBLTQ-UYAOXDASSA-N 2 2 369.550 0.939 20 0 FCADLP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000364840033 489009061 /nfs/dbraw/zinc/00/90/61/489009061.db2.gz LIELFZDLJCBLTQ-UYAOXDASSA-N 2 2 369.550 0.939 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000364898861 489015753 /nfs/dbraw/zinc/01/57/53/489015753.db2.gz KUNKKSGWMARTDN-SQNIBIBYSA-N 2 2 368.522 0.990 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000364898861 489015754 /nfs/dbraw/zinc/01/57/54/489015754.db2.gz KUNKKSGWMARTDN-SQNIBIBYSA-N 2 2 368.522 0.990 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899825 489015920 /nfs/dbraw/zinc/01/59/20/489015920.db2.gz YUQFZKOJNVILFB-JKSUJKDBSA-N 2 2 368.503 0.158 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899825 489015923 /nfs/dbraw/zinc/01/59/23/489015923.db2.gz YUQFZKOJNVILFB-JKSUJKDBSA-N 2 2 368.503 0.158 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000364909408 489016550 /nfs/dbraw/zinc/01/65/50/489016550.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000364909408 489016554 /nfs/dbraw/zinc/01/65/54/489016554.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364909408 489016555 /nfs/dbraw/zinc/01/65/55/489016555.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364909408 489016559 /nfs/dbraw/zinc/01/65/59/489016559.db2.gz DGXVCAKGBFRBPA-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP CCCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364949131 489021818 /nfs/dbraw/zinc/02/18/18/489021818.db2.gz GZGVDJIKGJJAAZ-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CCCN1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364949131 489021821 /nfs/dbraw/zinc/02/18/21/489021821.db2.gz GZGVDJIKGJJAAZ-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000280659778 489023560 /nfs/dbraw/zinc/02/35/60/489023560.db2.gz KWURZFMISLFYTA-RLLQIKCJSA-N 2 2 372.513 0.734 20 0 FCADLP C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000280659778 489023563 /nfs/dbraw/zinc/02/35/63/489023563.db2.gz KWURZFMISLFYTA-RLLQIKCJSA-N 2 2 372.513 0.734 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3C[C@H](OC)C[NH2+]3)CC2)c1 ZINC000365091181 489037369 /nfs/dbraw/zinc/03/73/69/489037369.db2.gz NAUGZMVAPQXNMW-ZWKOTPCHSA-N 2 2 363.458 0.595 20 0 FCADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000570280651 491229652 /nfs/dbraw/zinc/22/96/52/491229652.db2.gz HDRYQYGYVBCNRO-QLFBSQMISA-N 2 2 360.462 0.136 20 0 FCADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000570280651 491229655 /nfs/dbraw/zinc/22/96/55/491229655.db2.gz HDRYQYGYVBCNRO-QLFBSQMISA-N 2 2 360.462 0.136 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H](c3c[nH+]cn3C)N(C)C)CC2)c1 ZINC000281020668 489047380 /nfs/dbraw/zinc/04/73/80/489047380.db2.gz UDIHREJDHXUHDV-QGZVFWFLSA-N 2 2 358.446 0.775 20 0 FCADLP CCNC(=O)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365200873 489048953 /nfs/dbraw/zinc/04/89/53/489048953.db2.gz KKXQFLRXXCGNFO-OAHLLOKOSA-N 2 2 365.522 0.761 20 0 FCADLP CCNC(=O)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365200873 489048957 /nfs/dbraw/zinc/04/89/57/489048957.db2.gz KKXQFLRXXCGNFO-OAHLLOKOSA-N 2 2 365.522 0.761 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000329951666 489054206 /nfs/dbraw/zinc/05/42/06/489054206.db2.gz MYDGFHCBTFMWAK-UHFFFAOYSA-N 2 2 355.446 0.640 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC23CCC3)CC1 ZINC000329951666 489054208 /nfs/dbraw/zinc/05/42/08/489054208.db2.gz MYDGFHCBTFMWAK-UHFFFAOYSA-N 2 2 355.446 0.640 20 0 FCADLP C[C@H]1CC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000330074205 489066614 /nfs/dbraw/zinc/06/66/14/489066614.db2.gz FOBQWMPCKWPBII-DOTOQJQBSA-N 2 2 366.506 0.251 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000289718254 489088272 /nfs/dbraw/zinc/08/82/72/489088272.db2.gz GARWIGFFNNLNJO-UONOGXRCSA-N 2 2 369.487 0.860 20 0 FCADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C1)CCCC2 ZINC000330348219 489093248 /nfs/dbraw/zinc/09/32/48/489093248.db2.gz INHAPZOBEAHJOW-AWEZNQCLSA-N 2 2 357.458 0.915 20 0 FCADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C1)CCCC2 ZINC000330348219 489093250 /nfs/dbraw/zinc/09/32/50/489093250.db2.gz INHAPZOBEAHJOW-AWEZNQCLSA-N 2 2 357.458 0.915 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000570308298 491232740 /nfs/dbraw/zinc/23/27/40/491232740.db2.gz YKEZBLWOFCUFSU-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000289831388 489096351 /nfs/dbraw/zinc/09/63/51/489096351.db2.gz JSXQLPHFKKBPAC-KBPBESRZSA-N 2 2 369.487 0.827 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000554935466 491233282 /nfs/dbraw/zinc/23/32/82/491233282.db2.gz FWVSZPXSXSECJN-HWMZRRJGSA-N 2 2 355.479 0.484 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000554935466 491233285 /nfs/dbraw/zinc/23/32/85/491233285.db2.gz FWVSZPXSXSECJN-HWMZRRJGSA-N 2 2 355.479 0.484 20 0 FCADLP Cc1nn(C)cc1S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000570316431 491233400 /nfs/dbraw/zinc/23/34/00/491233400.db2.gz RGDCSLGGJPNWEU-UHFFFAOYSA-N 2 2 350.448 0.676 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940402 491233624 /nfs/dbraw/zinc/23/36/24/491233624.db2.gz JTVABSQFLJMGGJ-GOEBONIOSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940402 491233626 /nfs/dbraw/zinc/23/36/26/491233626.db2.gz JTVABSQFLJMGGJ-GOEBONIOSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000554940402 491233627 /nfs/dbraw/zinc/23/36/27/491233627.db2.gz JTVABSQFLJMGGJ-GOEBONIOSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000554940402 491233628 /nfs/dbraw/zinc/23/36/28/491233628.db2.gz JTVABSQFLJMGGJ-GOEBONIOSA-N 2 2 367.494 0.740 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000365898740 489123828 /nfs/dbraw/zinc/12/38/28/489123828.db2.gz XCNFYYYXLGUACS-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000365898740 489123830 /nfs/dbraw/zinc/12/38/30/489123830.db2.gz XCNFYYYXLGUACS-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000365898740 489123834 /nfs/dbraw/zinc/12/38/34/489123834.db2.gz XCNFYYYXLGUACS-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000365898740 489123837 /nfs/dbraw/zinc/12/38/37/489123837.db2.gz XCNFYYYXLGUACS-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@]3(CO)CCOc4ccccc43)cn2)CC1 ZINC000282056785 489128883 /nfs/dbraw/zinc/12/88/83/489128883.db2.gz BGZNETMZSGQADI-HXUWFJFHSA-N 2 2 369.469 0.988 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CCS(=O)(=O)C1 ZINC000365994947 489133372 /nfs/dbraw/zinc/13/33/72/489133372.db2.gz GKUFYBJJCSSQOR-UONOGXRCSA-N 2 2 354.476 0.338 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290471321 489143077 /nfs/dbraw/zinc/14/30/77/489143077.db2.gz LTFSLKZYMMWOOK-WBVHZDCISA-N 2 2 373.501 0.965 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559430 489149603 /nfs/dbraw/zinc/14/96/03/489149603.db2.gz PFKPLYZGLYQFNO-IRXDYDNUSA-N 2 2 373.501 0.871 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559430 489149606 /nfs/dbraw/zinc/14/96/06/489149606.db2.gz PFKPLYZGLYQFNO-IRXDYDNUSA-N 2 2 373.501 0.871 20 0 FCADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000282406697 489160883 /nfs/dbraw/zinc/16/08/83/489160883.db2.gz FPXMRLHAWWDHNR-QGZVFWFLSA-N 2 2 358.486 0.835 20 0 FCADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000282406697 489160885 /nfs/dbraw/zinc/16/08/85/489160885.db2.gz FPXMRLHAWWDHNR-QGZVFWFLSA-N 2 2 358.486 0.835 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000330974197 489161912 /nfs/dbraw/zinc/16/19/12/489161912.db2.gz CINPXPDSCZTRLG-INIZCTEOSA-N 2 2 355.504 0.825 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373080 489175092 /nfs/dbraw/zinc/17/50/92/489175092.db2.gz MFZYAYBVOBJEEM-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373080 489175095 /nfs/dbraw/zinc/17/50/95/489175095.db2.gz MFZYAYBVOBJEEM-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000366373080 489175100 /nfs/dbraw/zinc/17/51/00/489175100.db2.gz MFZYAYBVOBJEEM-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)C1 ZINC000366373080 489175102 /nfs/dbraw/zinc/17/51/02/489175102.db2.gz MFZYAYBVOBJEEM-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000331373592 489203143 /nfs/dbraw/zinc/20/31/43/489203143.db2.gz CUJFQGXBULMIAK-BQJWPVKWSA-N 2 2 366.506 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000331373592 489203145 /nfs/dbraw/zinc/20/31/45/489203145.db2.gz CUJFQGXBULMIAK-BQJWPVKWSA-N 2 2 366.506 0.140 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283025059 489207757 /nfs/dbraw/zinc/20/77/57/489207757.db2.gz QQGYKIOLTOYLJE-SFHVURJKSA-N 2 2 355.442 0.631 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283025059 489207760 /nfs/dbraw/zinc/20/77/60/489207760.db2.gz QQGYKIOLTOYLJE-SFHVURJKSA-N 2 2 355.442 0.631 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283025059 489207764 /nfs/dbraw/zinc/20/77/64/489207764.db2.gz QQGYKIOLTOYLJE-SFHVURJKSA-N 2 2 355.442 0.631 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283025059 489207768 /nfs/dbraw/zinc/20/77/68/489207768.db2.gz QQGYKIOLTOYLJE-SFHVURJKSA-N 2 2 355.442 0.631 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)cc[nH+]1 ZINC000570417184 491239765 /nfs/dbraw/zinc/23/97/65/491239765.db2.gz MXOPSKZWFJJQJN-INIZCTEOSA-N 2 2 372.473 0.130 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000332561562 489220632 /nfs/dbraw/zinc/22/06/32/489220632.db2.gz WVOSZYKETQZVLZ-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332780535 489229426 /nfs/dbraw/zinc/22/94/26/489229426.db2.gz SUPWMMDGPUVARA-DLBZAZTESA-N 2 2 365.522 0.759 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369364461 489230484 /nfs/dbraw/zinc/23/04/84/489230484.db2.gz SAFGLSCACZFAHZ-MRXNPFEDSA-N 3 2 353.511 0.129 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369364461 489230488 /nfs/dbraw/zinc/23/04/88/489230488.db2.gz SAFGLSCACZFAHZ-MRXNPFEDSA-N 3 2 353.511 0.129 20 0 FCADLP C[N@@H+]1CCCC12CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000369385580 489232171 /nfs/dbraw/zinc/23/21/71/489232171.db2.gz XSJLOOAQCBAXTG-UHFFFAOYSA-N 2 2 352.523 0.774 20 0 FCADLP C[N@H+]1CCCC12CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000369385580 489232175 /nfs/dbraw/zinc/23/21/75/489232175.db2.gz XSJLOOAQCBAXTG-UHFFFAOYSA-N 2 2 352.523 0.774 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283262085 489234686 /nfs/dbraw/zinc/23/46/86/489234686.db2.gz AADSCMBTXUVCBC-UHFFFAOYSA-N 2 2 355.442 0.736 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)cc1 ZINC000297776095 489238907 /nfs/dbraw/zinc/23/89/07/489238907.db2.gz GLJSAHVXCFSYMD-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000297776095 489238909 /nfs/dbraw/zinc/23/89/09/489238909.db2.gz GLJSAHVXCFSYMD-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC[N@@H+]1CCOC ZINC000297785389 489240177 /nfs/dbraw/zinc/24/01/77/489240177.db2.gz KGGWDEVJJAFLKP-OAHLLOKOSA-N 2 2 365.478 0.338 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC[N@H+]1CCOC ZINC000297785389 489240180 /nfs/dbraw/zinc/24/01/80/489240180.db2.gz KGGWDEVJJAFLKP-OAHLLOKOSA-N 2 2 365.478 0.338 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297788231 489240505 /nfs/dbraw/zinc/24/05/05/489240505.db2.gz RCNAURRPQMHOOM-HOTGVXAUSA-N 2 2 365.478 0.329 20 0 FCADLP COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000369464690 489240819 /nfs/dbraw/zinc/24/08/19/489240819.db2.gz RQPBMRJDEOTENH-HYVNUMGLSA-N 2 2 354.495 0.648 20 0 FCADLP COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000369464690 489240823 /nfs/dbraw/zinc/24/08/23/489240823.db2.gz RQPBMRJDEOTENH-HYVNUMGLSA-N 2 2 354.495 0.648 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283305257 489242181 /nfs/dbraw/zinc/24/21/81/489242181.db2.gz AFFRDRBQDSZJKY-OAHLLOKOSA-N 2 2 357.458 0.793 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283305257 489242182 /nfs/dbraw/zinc/24/21/82/489242182.db2.gz AFFRDRBQDSZJKY-OAHLLOKOSA-N 2 2 357.458 0.793 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000283305426 489242326 /nfs/dbraw/zinc/24/23/26/489242326.db2.gz DAVWNCFIQYTJFM-ZIAGYGMSSA-N 2 2 365.478 0.383 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000283307136 489242772 /nfs/dbraw/zinc/24/27/72/489242772.db2.gz DOSLLOJBECGXKJ-HNNXBMFYSA-N 2 2 373.457 0.078 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000332922468 489246470 /nfs/dbraw/zinc/24/64/70/489246470.db2.gz DRJTWHFIXYDUOC-KBPBESRZSA-N 2 2 372.477 0.678 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC000332922468 489246472 /nfs/dbraw/zinc/24/64/72/489246472.db2.gz DRJTWHFIXYDUOC-KBPBESRZSA-N 2 2 372.477 0.678 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297853151 489252370 /nfs/dbraw/zinc/25/23/70/489252370.db2.gz MNKPURQQCCQJQD-FQEVSTJZSA-N 2 2 371.485 0.675 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297853151 489252373 /nfs/dbraw/zinc/25/23/73/489252373.db2.gz MNKPURQQCCQJQD-FQEVSTJZSA-N 2 2 371.485 0.675 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000297861956 489253375 /nfs/dbraw/zinc/25/33/75/489253375.db2.gz VWHFBANXVLLBFR-NVXWUHKLSA-N 2 2 359.474 0.989 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@H]21 ZINC000333005145 489256209 /nfs/dbraw/zinc/25/62/09/489256209.db2.gz NERFSLYHYJHXFG-QBPKDAKJSA-N 2 2 352.479 0.089 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C[C@H]21 ZINC000333005145 489256213 /nfs/dbraw/zinc/25/62/13/489256213.db2.gz NERFSLYHYJHXFG-QBPKDAKJSA-N 2 2 352.479 0.089 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208188 489258721 /nfs/dbraw/zinc/25/87/21/489258721.db2.gz BBMLYUCPIHTCMM-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@H+]1C ZINC000333208188 489258723 /nfs/dbraw/zinc/25/87/23/489258723.db2.gz BBMLYUCPIHTCMM-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208188 489258726 /nfs/dbraw/zinc/25/87/26/489258726.db2.gz BBMLYUCPIHTCMM-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208188 489258729 /nfs/dbraw/zinc/25/87/29/489258729.db2.gz BBMLYUCPIHTCMM-ILXRZTDVSA-N 2 2 361.494 0.757 20 0 FCADLP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000333981678 489264328 /nfs/dbraw/zinc/26/43/28/489264328.db2.gz AVTMHZZBIUQRCG-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000333981678 489264332 /nfs/dbraw/zinc/26/43/32/489264332.db2.gz AVTMHZZBIUQRCG-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369735485 489269135 /nfs/dbraw/zinc/26/91/35/489269135.db2.gz GRJCAFHPTVFWQU-INIZCTEOSA-N 2 2 366.506 0.746 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369735485 489269140 /nfs/dbraw/zinc/26/91/40/489269140.db2.gz GRJCAFHPTVFWQU-INIZCTEOSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000283520627 489269797 /nfs/dbraw/zinc/26/97/97/489269797.db2.gz OQXKCQQTNTXFBU-UHFFFAOYSA-N 2 2 359.474 0.722 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297966222 489269951 /nfs/dbraw/zinc/26/99/51/489269951.db2.gz VVQNROQVDMNXRF-MRXNPFEDSA-N 2 2 359.474 0.530 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297966222 489269955 /nfs/dbraw/zinc/26/99/55/489269955.db2.gz VVQNROQVDMNXRF-MRXNPFEDSA-N 2 2 359.474 0.530 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820629 489279163 /nfs/dbraw/zinc/27/91/63/489279163.db2.gz CHSLUMQYJBPXJB-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820629 489279165 /nfs/dbraw/zinc/27/91/65/489279165.db2.gz CHSLUMQYJBPXJB-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000283604795 489280664 /nfs/dbraw/zinc/28/06/64/489280664.db2.gz PNBGMGCJKJBYDE-MRXNPFEDSA-N 2 2 361.421 0.948 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccsc1 ZINC000283633386 489284002 /nfs/dbraw/zinc/28/40/02/489284002.db2.gz AFMCEFPNKXBPRM-AWEZNQCLSA-N 2 2 370.544 0.632 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000298082792 489287936 /nfs/dbraw/zinc/28/79/36/489287936.db2.gz MSNNYJHSHIJJBP-CQSZACIVSA-N 2 2 352.504 0.973 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000555328606 491246363 /nfs/dbraw/zinc/24/63/63/491246363.db2.gz XMMYPUAYNARUPC-MBOZVWFJSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000555328606 491246366 /nfs/dbraw/zinc/24/63/66/491246366.db2.gz XMMYPUAYNARUPC-MBOZVWFJSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000369949455 489295413 /nfs/dbraw/zinc/29/54/13/489295413.db2.gz XDWBVJJVCMHVIP-MGLUKCQKSA-N 2 2 351.491 0.805 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)C[NH+]1CCOCC1 ZINC000285902137 489332180 /nfs/dbraw/zinc/33/21/80/489332180.db2.gz MYBATPXEZAKVDS-CQSZACIVSA-N 2 2 359.430 0.035 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000285939701 489336111 /nfs/dbraw/zinc/33/61/11/489336111.db2.gz PGKWDMIYWCNBDW-INIZCTEOSA-N 2 2 365.478 0.267 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000285939701 489336115 /nfs/dbraw/zinc/33/61/15/489336115.db2.gz PGKWDMIYWCNBDW-INIZCTEOSA-N 2 2 365.478 0.267 20 0 FCADLP C[C@H](O)C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)CO ZINC000370455815 489362606 /nfs/dbraw/zinc/36/26/06/489362606.db2.gz UTTUFJOLFRKVLI-IRXDYDNUSA-N 2 2 371.522 0.201 20 0 FCADLP C[C@H](O)C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)CO ZINC000370455815 489362607 /nfs/dbraw/zinc/36/26/07/489362607.db2.gz UTTUFJOLFRKVLI-IRXDYDNUSA-N 2 2 371.522 0.201 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000370557652 489374492 /nfs/dbraw/zinc/37/44/92/489374492.db2.gz LJRKYZCEERCKNB-KZNAEPCWSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370560044 489374960 /nfs/dbraw/zinc/37/49/60/489374960.db2.gz WVYJDRZJEYAEDD-KZNAEPCWSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370560044 489374964 /nfs/dbraw/zinc/37/49/64/489374964.db2.gz WVYJDRZJEYAEDD-KZNAEPCWSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC000286288144 489376829 /nfs/dbraw/zinc/37/68/29/489376829.db2.gz PGYTWLVWBZLTFZ-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000286305348 489377808 /nfs/dbraw/zinc/37/78/08/489377808.db2.gz XQKYZOKDOHSXLZ-KRWDZBQOSA-N 2 2 362.474 0.630 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000286343802 489381743 /nfs/dbraw/zinc/38/17/43/489381743.db2.gz ZLYWIULGRZCJSN-OAHLLOKOSA-N 2 2 369.469 0.871 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000286343802 489381747 /nfs/dbraw/zinc/38/17/47/489381747.db2.gz ZLYWIULGRZCJSN-OAHLLOKOSA-N 2 2 369.469 0.871 20 0 FCADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000370616335 489382857 /nfs/dbraw/zinc/38/28/57/489382857.db2.gz RNSQTLHBALLEAE-WMZOPIPTSA-N 2 2 371.489 0.719 20 0 FCADLP C[N@@H+]1CCc2ncnc(NC[C@H]3C[C@@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690499 489392232 /nfs/dbraw/zinc/39/22/32/489392232.db2.gz NLFNNAVYGPHDJL-IAGOWNOFSA-N 2 2 353.470 1.512 20 0 FCADLP C[N@H+]1CCc2ncnc(NC[C@H]3C[C@@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690499 489392234 /nfs/dbraw/zinc/39/22/34/489392234.db2.gz NLFNNAVYGPHDJL-IAGOWNOFSA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)c2C1 ZINC000362690499 489392237 /nfs/dbraw/zinc/39/22/37/489392237.db2.gz NLFNNAVYGPHDJL-IAGOWNOFSA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)c2C1 ZINC000362690499 489392240 /nfs/dbraw/zinc/39/22/40/489392240.db2.gz NLFNNAVYGPHDJL-IAGOWNOFSA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3c(=O)cnc4ccccc43)C2)CC1 ZINC000362710401 489394267 /nfs/dbraw/zinc/39/42/67/489394267.db2.gz JEJWLZGYPJGULU-OAHLLOKOSA-N 2 2 369.469 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3c(=O)cnc4ccccc43)C2)CC1 ZINC000362710401 489394270 /nfs/dbraw/zinc/39/42/70/489394270.db2.gz JEJWLZGYPJGULU-OAHLLOKOSA-N 2 2 369.469 0.681 20 0 FCADLP C[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[NH+]1CCSCC1 ZINC000362783166 489397467 /nfs/dbraw/zinc/39/74/67/489397467.db2.gz YVZHNBKPCVNCCJ-ZBFHGGJFSA-N 2 2 359.561 0.748 20 0 FCADLP C[N@H+](CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000362838391 489400714 /nfs/dbraw/zinc/40/07/14/489400714.db2.gz HZQRSAKVPGCIQC-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+](CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000362838391 489400717 /nfs/dbraw/zinc/40/07/17/489400717.db2.gz HZQRSAKVPGCIQC-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638558234 492960232 /nfs/dbraw/zinc/96/02/32/492960232.db2.gz WEMJBJYCQIYXLW-NEPJUHHUSA-N 2 2 352.401 0.429 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638558234 492960235 /nfs/dbraw/zinc/96/02/35/492960235.db2.gz WEMJBJYCQIYXLW-NEPJUHHUSA-N 2 2 352.401 0.429 20 0 FCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)cn1 ZINC000363058710 489417673 /nfs/dbraw/zinc/41/76/73/489417673.db2.gz UZIHJNDJRPYZBV-FUHWJXTLSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2=O)cn1 ZINC000363058710 489417675 /nfs/dbraw/zinc/41/76/75/489417675.db2.gz UZIHJNDJRPYZBV-FUHWJXTLSA-N 2 2 360.506 0.627 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000563549838 491254450 /nfs/dbraw/zinc/25/44/50/491254450.db2.gz GWYAEVJDMQPBKV-IYBDPMFKSA-N 2 2 359.478 0.135 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000363109263 489424519 /nfs/dbraw/zinc/42/45/19/489424519.db2.gz OAQAOKGYDGRRKI-RTBURBONSA-N 2 2 358.486 0.566 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000363109263 489424521 /nfs/dbraw/zinc/42/45/21/489424521.db2.gz OAQAOKGYDGRRKI-RTBURBONSA-N 2 2 358.486 0.566 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000299390026 489436927 /nfs/dbraw/zinc/43/69/27/489436927.db2.gz UGHFQSFIGPAZFR-UHFFFAOYSA-N 2 2 362.474 0.855 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1n1cc[nH+]c1 ZINC000286990718 489449948 /nfs/dbraw/zinc/44/99/48/489449948.db2.gz PSDODROILJRMAN-UKRRQHHQSA-N 2 2 373.461 0.409 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312868 489451175 /nfs/dbraw/zinc/45/11/75/489451175.db2.gz CBAIATIVQDZJKZ-KGLIPLIRSA-N 2 2 360.462 0.047 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312868 489451177 /nfs/dbraw/zinc/45/11/77/489451177.db2.gz CBAIATIVQDZJKZ-KGLIPLIRSA-N 2 2 360.462 0.047 20 0 FCADLP COc1cc2[nH+]c(N3CC[NH+]([C@@H]4CCOC4)CC3)nc(N)c2cc1OC ZINC000371107128 489452651 /nfs/dbraw/zinc/45/26/51/489452651.db2.gz MZZGJGUJUTYBJR-GFCCVEGCSA-N 2 2 359.430 1.140 20 0 FCADLP CCCS(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299555531 489455930 /nfs/dbraw/zinc/45/59/30/489455930.db2.gz MCCNEMKDWHNSDA-UHFFFAOYSA-N 2 2 368.503 0.535 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363349948 489455947 /nfs/dbraw/zinc/45/59/47/489455947.db2.gz UARZNGQLXGPSFX-IBGZPJMESA-N 3 2 365.566 0.641 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363349948 489455950 /nfs/dbraw/zinc/45/59/50/489455950.db2.gz UARZNGQLXGPSFX-IBGZPJMESA-N 3 2 365.566 0.641 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000371307356 489475737 /nfs/dbraw/zinc/47/57/37/489475737.db2.gz DBSZSPZAPHLJAI-OAHLLOKOSA-N 2 2 369.473 0.744 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000371307356 489475739 /nfs/dbraw/zinc/47/57/39/489475739.db2.gz DBSZSPZAPHLJAI-OAHLLOKOSA-N 2 2 369.473 0.744 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000563581467 491256007 /nfs/dbraw/zinc/25/60/07/491256007.db2.gz JGSXRUKCSJMQLY-LSDHHAIUSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000563581467 491256008 /nfs/dbraw/zinc/25/60/08/491256008.db2.gz JGSXRUKCSJMQLY-LSDHHAIUSA-N 2 2 365.865 0.730 20 0 FCADLP CCn1cc[nH+]c1CN1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000371415534 489483456 /nfs/dbraw/zinc/48/34/56/489483456.db2.gz QIDRYXKOFAFYEW-UHFFFAOYSA-N 2 2 360.462 0.008 20 0 FCADLP CCn1cc[nH+]c1CN1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000371415534 489483458 /nfs/dbraw/zinc/48/34/58/489483458.db2.gz QIDRYXKOFAFYEW-UHFFFAOYSA-N 2 2 360.462 0.008 20 0 FCADLP CC[C@@H](CNS(C)(=O)=O)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000414214682 489492786 /nfs/dbraw/zinc/49/27/86/489492786.db2.gz SUGOZFLMUHVWBG-NSHDSACASA-N 2 2 361.431 0.950 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423092951 489492972 /nfs/dbraw/zinc/49/29/72/489492972.db2.gz DZEKYAOGXLJMPM-HIFRSBDPSA-N 2 2 359.467 0.803 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1C ZINC000423220604 489504612 /nfs/dbraw/zinc/50/46/12/489504612.db2.gz YKGGHGIGYXEYNY-CABCVRRESA-N 2 2 360.458 0.733 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000423249271 489507252 /nfs/dbraw/zinc/50/72/52/489507252.db2.gz OKPYPEICQZHOQG-MRXNPFEDSA-N 2 2 360.458 0.160 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000423255339 489507649 /nfs/dbraw/zinc/50/76/49/489507649.db2.gz BSCIDWCKFGRXMU-HZPDHXFCSA-N 2 2 374.485 0.708 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000423260337 489508722 /nfs/dbraw/zinc/50/87/22/489508722.db2.gz QBFQIEZDMWQYDR-DOTOQJQBSA-N 2 2 374.485 0.850 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423294045 489511778 /nfs/dbraw/zinc/51/17/78/489511778.db2.gz BBBXYJREIHTUTF-BQFCYCMXSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423294045 489511783 /nfs/dbraw/zinc/51/17/83/489511783.db2.gz BBBXYJREIHTUTF-BQFCYCMXSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423294046 489512238 /nfs/dbraw/zinc/51/22/38/489512238.db2.gz BBBXYJREIHTUTF-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423294046 489512240 /nfs/dbraw/zinc/51/22/40/489512240.db2.gz BBBXYJREIHTUTF-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423295470 489512736 /nfs/dbraw/zinc/51/27/36/489512736.db2.gz AOSFYSRQEPLVCH-NXHRZFHOSA-N 2 2 356.470 0.397 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423295470 489512739 /nfs/dbraw/zinc/51/27/39/489512739.db2.gz AOSFYSRQEPLVCH-NXHRZFHOSA-N 2 2 356.470 0.397 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000415190107 489513104 /nfs/dbraw/zinc/51/31/04/489513104.db2.gz QXLHBAFQLILIKI-UHFFFAOYSA-N 2 2 372.473 1.208 20 0 FCADLP C[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]1C[NH3+] ZINC000415188369 489513263 /nfs/dbraw/zinc/51/32/63/489513263.db2.gz OBBCXIYVXKGPIO-HUUCEWRRSA-N 2 2 350.467 0.806 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000371830916 489515437 /nfs/dbraw/zinc/51/54/37/489515437.db2.gz OSDSQOHZZPTBQM-UHFFFAOYSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000371830649 489515634 /nfs/dbraw/zinc/51/56/34/489515634.db2.gz LCIMYEZYBCMUIG-UHFFFAOYSA-N 2 2 362.478 0.917 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000415374017 489516531 /nfs/dbraw/zinc/51/65/31/489516531.db2.gz IIKCFGBZFSSJLD-YOEHRIQHSA-N 2 2 360.458 0.887 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000415416494 489518033 /nfs/dbraw/zinc/51/80/33/489518033.db2.gz NOQPGHJSEYBYGI-OAHLLOKOSA-N 2 2 362.478 0.964 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000415421796 489519238 /nfs/dbraw/zinc/51/92/38/489519238.db2.gz VTUSDSHRFXHQCO-OAHLLOKOSA-N 2 2 361.490 0.568 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC[NH2+]1 ZINC000415430767 489520330 /nfs/dbraw/zinc/52/03/30/489520330.db2.gz JUMMOXGFFUZEJP-CQSZACIVSA-N 2 2 362.499 0.994 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000570721192 491260467 /nfs/dbraw/zinc/26/04/67/491260467.db2.gz UOYMOHIRHYGGHI-GJZGRUSLSA-N 2 2 362.474 0.377 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000415442907 489522019 /nfs/dbraw/zinc/52/20/19/489522019.db2.gz SYAYAFVIGLDNGJ-HUUCEWRRSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371966279 489529926 /nfs/dbraw/zinc/52/99/26/489529926.db2.gz KXGUHXMSHPWKDU-HFTRVMKXSA-N 2 2 368.547 0.976 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371966279 489529929 /nfs/dbraw/zinc/52/99/29/489529929.db2.gz KXGUHXMSHPWKDU-HFTRVMKXSA-N 2 2 368.547 0.976 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000570729098 491260984 /nfs/dbraw/zinc/26/09/84/491260984.db2.gz AGUIEDHNNIVCTD-MRXNPFEDSA-N 2 2 359.467 0.539 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371986334 489531697 /nfs/dbraw/zinc/53/16/97/489531697.db2.gz IHZIWTGZYZLKNV-QZTJIDSGSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@]1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000415576775 489532624 /nfs/dbraw/zinc/53/26/24/489532624.db2.gz GQBZDYQURYCDGD-FQEVSTJZSA-N 2 2 374.485 0.963 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415604588 489535905 /nfs/dbraw/zinc/53/59/05/489535905.db2.gz GDUQDKINNPLZDW-UHFFFAOYSA-N 2 2 356.373 0.168 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638094 491261667 /nfs/dbraw/zinc/26/16/67/491261667.db2.gz XQHYHAJANCNWEA-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638094 491261668 /nfs/dbraw/zinc/26/16/68/491261668.db2.gz XQHYHAJANCNWEA-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000555638094 491261669 /nfs/dbraw/zinc/26/16/69/491261669.db2.gz XQHYHAJANCNWEA-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000555638094 491261670 /nfs/dbraw/zinc/26/16/70/491261670.db2.gz XQHYHAJANCNWEA-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049644 489553407 /nfs/dbraw/zinc/55/34/07/489553407.db2.gz MPTUGCFGNFHFPE-MSOLQXFVSA-N 2 2 369.554 0.670 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049644 489553412 /nfs/dbraw/zinc/55/34/12/489553412.db2.gz MPTUGCFGNFHFPE-MSOLQXFVSA-N 2 2 369.554 0.670 20 0 FCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000453965466 489556219 /nfs/dbraw/zinc/55/62/19/489556219.db2.gz IKUYEGASTQBWSQ-AWEZNQCLSA-N 2 2 356.430 1.149 20 0 FCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000453965466 489556222 /nfs/dbraw/zinc/55/62/22/489556222.db2.gz IKUYEGASTQBWSQ-AWEZNQCLSA-N 2 2 356.430 1.149 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1O ZINC000426146948 489556752 /nfs/dbraw/zinc/55/67/52/489556752.db2.gz BBAQXVVBHGANMM-QFBILLFUSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1O ZINC000426146948 489556754 /nfs/dbraw/zinc/55/67/54/489556754.db2.gz BBAQXVVBHGANMM-QFBILLFUSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1O ZINC000426146947 489557091 /nfs/dbraw/zinc/55/70/91/489557091.db2.gz BBAQXVVBHGANMM-LPHOPBHVSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1O ZINC000426146947 489557093 /nfs/dbraw/zinc/55/70/93/489557093.db2.gz BBAQXVVBHGANMM-LPHOPBHVSA-N 2 2 361.486 0.838 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415890377 489563734 /nfs/dbraw/zinc/56/37/34/489563734.db2.gz HWCVYKXJTJSZSS-DOTOQJQBSA-N 2 2 372.469 0.525 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000415958193 489566184 /nfs/dbraw/zinc/56/61/84/489566184.db2.gz WJBSXBXCXLGFFQ-HNNXBMFYSA-N 2 2 363.466 0.119 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000415958193 489566186 /nfs/dbraw/zinc/56/61/86/489566186.db2.gz WJBSXBXCXLGFFQ-HNNXBMFYSA-N 2 2 363.466 0.119 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416003525 489567417 /nfs/dbraw/zinc/56/74/17/489567417.db2.gz GZZSJKUMPHASIP-JQWIXIFHSA-N 2 2 365.400 0.260 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000416142341 489571430 /nfs/dbraw/zinc/57/14/30/489571430.db2.gz CHNLLYSVXCGPHA-ARFHVFGLSA-N 2 2 361.552 0.930 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000416142341 489571432 /nfs/dbraw/zinc/57/14/32/489571432.db2.gz CHNLLYSVXCGPHA-ARFHVFGLSA-N 2 2 361.552 0.930 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000555669260 491264623 /nfs/dbraw/zinc/26/46/23/491264623.db2.gz LULCIZBYCCYLQJ-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372483577 489589271 /nfs/dbraw/zinc/58/92/71/489589271.db2.gz VOIAKSLQCBBWIP-INIZCTEOSA-N 2 2 355.446 0.659 20 0 FCADLP O=C(CC[N@H+]1CC[C@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372483577 489589273 /nfs/dbraw/zinc/58/92/73/489589273.db2.gz VOIAKSLQCBBWIP-INIZCTEOSA-N 2 2 355.446 0.659 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)ccn2)CC1 ZINC000372487863 489589998 /nfs/dbraw/zinc/58/99/98/489589998.db2.gz UOVLGXVTJPTAFC-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000372531279 489595804 /nfs/dbraw/zinc/59/58/04/489595804.db2.gz DWSMBOHSCSTPEF-INIZCTEOSA-N 2 2 357.414 0.130 20 0 FCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000372531279 489595807 /nfs/dbraw/zinc/59/58/07/489595807.db2.gz DWSMBOHSCSTPEF-INIZCTEOSA-N 2 2 357.414 0.130 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]CC1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000427282463 489600774 /nfs/dbraw/zinc/60/07/74/489600774.db2.gz UBVXINATQRONOX-MRXNPFEDSA-N 2 2 350.507 0.827 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](OCCO)C3)C2)CC1 ZINC000372591718 489604816 /nfs/dbraw/zinc/60/48/16/489604816.db2.gz OJWXUVUHPUTQCX-RDJZCZTQSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](OCCO)C3)C2)CC1 ZINC000372591718 489604820 /nfs/dbraw/zinc/60/48/20/489604820.db2.gz OJWXUVUHPUTQCX-RDJZCZTQSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000570817149 491266498 /nfs/dbraw/zinc/26/64/98/491266498.db2.gz KGPUYPGAKCNCPZ-CQSZACIVSA-N 2 2 351.495 0.370 20 0 FCADLP CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372656046 489616978 /nfs/dbraw/zinc/61/69/78/489616978.db2.gz QVJWZZHGOSMEIM-SOUVJXGZSA-N 2 2 353.511 0.757 20 0 FCADLP CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372656046 489616981 /nfs/dbraw/zinc/61/69/81/489616981.db2.gz QVJWZZHGOSMEIM-SOUVJXGZSA-N 2 2 353.511 0.757 20 0 FCADLP C[NH+]1CCC(CNC(=O)CC(=O)NCC2CC2)([NH+]2CCCCC2)CC1 ZINC000427853739 489623780 /nfs/dbraw/zinc/62/37/80/489623780.db2.gz PDGRFYLDQJBBBD-UHFFFAOYSA-N 2 2 350.507 0.969 20 0 FCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999031 489631441 /nfs/dbraw/zinc/63/14/41/489631441.db2.gz SICBDFMSLPGZIF-GOSISDBHSA-N 2 2 362.474 0.330 20 0 FCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999031 489631444 /nfs/dbraw/zinc/63/14/44/489631444.db2.gz SICBDFMSLPGZIF-GOSISDBHSA-N 2 2 362.474 0.330 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428034349 489633449 /nfs/dbraw/zinc/63/34/49/489633449.db2.gz NZUVBYBRHWCQIM-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428034349 489633452 /nfs/dbraw/zinc/63/34/52/489633452.db2.gz NZUVBYBRHWCQIM-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417034742 489639167 /nfs/dbraw/zinc/63/91/67/489639167.db2.gz JIJVJALYFDQBQO-KRWDZBQOSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000372824438 489640633 /nfs/dbraw/zinc/64/06/33/489640633.db2.gz OVOUMCNPDPNLPL-MRXNPFEDSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000372824438 489640636 /nfs/dbraw/zinc/64/06/36/489640636.db2.gz OVOUMCNPDPNLPL-MRXNPFEDSA-N 2 2 366.506 0.348 20 0 FCADLP O=C(NCCC[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417158129 489643815 /nfs/dbraw/zinc/64/38/15/489643815.db2.gz NLJBATXPISNVPH-MRXNPFEDSA-N 2 2 361.494 0.430 20 0 FCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000417211436 489645026 /nfs/dbraw/zinc/64/50/26/489645026.db2.gz DSHMXDGPGZWWTN-BXKDBHETSA-N 2 2 368.235 0.476 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@@H](C[NH3+])C1 ZINC000417269169 489646226 /nfs/dbraw/zinc/64/62/26/489646226.db2.gz MEWUBBMVXCWXGC-INMHGKMJSA-N 2 2 356.536 0.963 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457439618 489646487 /nfs/dbraw/zinc/64/64/87/489646487.db2.gz QWWFOPYTXWGIEP-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457439618 489646490 /nfs/dbraw/zinc/64/64/90/489646490.db2.gz QWWFOPYTXWGIEP-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@@H]1CCC[NH2+]C1 ZINC000417299931 489646833 /nfs/dbraw/zinc/64/68/33/489646833.db2.gz SKBSKEFVTKVPOB-QGZVFWFLSA-N 2 2 362.474 0.949 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417297470 489646894 /nfs/dbraw/zinc/64/68/94/489646894.db2.gz OCIZWLIQLNKEMY-OAHLLOKOSA-N 2 2 350.463 0.792 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000457555517 489649221 /nfs/dbraw/zinc/64/92/21/489649221.db2.gz COWFKFPLMBPGSJ-YVSFHVDLSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@H+]1CCO ZINC000457555517 489649223 /nfs/dbraw/zinc/64/92/23/489649223.db2.gz COWFKFPLMBPGSJ-YVSFHVDLSA-N 2 2 370.538 0.971 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457600615 489650671 /nfs/dbraw/zinc/65/06/71/489650671.db2.gz NXDOBWSLVFSKPE-BBWFWOEESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457600615 489650673 /nfs/dbraw/zinc/65/06/73/489650673.db2.gz NXDOBWSLVFSKPE-BBWFWOEESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000428565352 489653536 /nfs/dbraw/zinc/65/35/36/489653536.db2.gz YSZFBXSKOUJDIM-WBVHZDCISA-N 2 2 354.520 0.929 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000428565352 489653537 /nfs/dbraw/zinc/65/35/37/489653537.db2.gz YSZFBXSKOUJDIM-WBVHZDCISA-N 2 2 354.520 0.929 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417710918 489662174 /nfs/dbraw/zinc/66/21/74/489662174.db2.gz PNNYUKGHNNQTAW-MRXNPFEDSA-N 2 2 351.495 0.372 20 0 FCADLP CC(C)(CCC[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000417721309 489663005 /nfs/dbraw/zinc/66/30/05/489663005.db2.gz YFPSJXDGGGDYAE-UHFFFAOYSA-N 2 2 353.511 0.747 20 0 FCADLP CCOC[C@H](O)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000563806428 491269906 /nfs/dbraw/zinc/26/99/06/491269906.db2.gz VMFRTKUBYWITRY-MRXNPFEDSA-N 2 2 371.503 0.110 20 0 FCADLP COC1(CO)CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000428974356 489668852 /nfs/dbraw/zinc/66/88/52/489668852.db2.gz FHCVQTNSKYSPAG-MRXNPFEDSA-N 2 2 362.474 0.592 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859961 491270244 /nfs/dbraw/zinc/27/02/44/491270244.db2.gz QIWLBGMCAKVSMS-YOEHRIQHSA-N 2 2 366.510 0.110 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859961 491270245 /nfs/dbraw/zinc/27/02/45/491270245.db2.gz QIWLBGMCAKVSMS-YOEHRIQHSA-N 2 2 366.510 0.110 20 0 FCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956970 489673139 /nfs/dbraw/zinc/67/31/39/489673139.db2.gz TZWSUEBNYPQJBS-HOTGVXAUSA-N 2 2 370.881 0.674 20 0 FCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956970 489673142 /nfs/dbraw/zinc/67/31/42/489673142.db2.gz TZWSUEBNYPQJBS-HOTGVXAUSA-N 2 2 370.881 0.674 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458238240 489675281 /nfs/dbraw/zinc/67/52/81/489675281.db2.gz LYXRXOXWDRSVPB-CALCHBBNSA-N 2 2 354.495 0.650 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458238240 489675283 /nfs/dbraw/zinc/67/52/83/489675283.db2.gz LYXRXOXWDRSVPB-CALCHBBNSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418292936 489689526 /nfs/dbraw/zinc/68/95/26/489689526.db2.gz DFWVMBZAKXGMAH-AWEZNQCLSA-N 2 2 351.495 0.642 20 0 FCADLP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000418295986 489689641 /nfs/dbraw/zinc/68/96/41/489689641.db2.gz INNWTCBUZIXVLN-UHFFFAOYSA-N 2 2 351.520 0.871 20 0 FCADLP CCC[C@H](C)C(=O)NCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458580094 489689823 /nfs/dbraw/zinc/68/98/23/489689823.db2.gz FIGZXQYCOVAKSP-HNNXBMFYSA-N 2 2 355.527 0.864 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418300586 489690019 /nfs/dbraw/zinc/69/00/19/489690019.db2.gz QJRVNMAUHSUASF-MOPGFXCFSA-N 2 2 373.501 0.186 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418300586 489690023 /nfs/dbraw/zinc/69/00/23/489690023.db2.gz QJRVNMAUHSUASF-MOPGFXCFSA-N 2 2 373.501 0.186 20 0 FCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000429526121 489691059 /nfs/dbraw/zinc/69/10/59/489691059.db2.gz GLCREPRQEWWLPF-INIZCTEOSA-N 2 2 362.474 0.980 20 0 FCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000429526121 489691063 /nfs/dbraw/zinc/69/10/63/489691063.db2.gz GLCREPRQEWWLPF-INIZCTEOSA-N 2 2 362.474 0.980 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000489038552 489692276 /nfs/dbraw/zinc/69/22/76/489692276.db2.gz JXRPOTCOSLNDBF-KRWDZBQOSA-N 2 2 364.494 0.216 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000418350758 489693602 /nfs/dbraw/zinc/69/36/02/489693602.db2.gz RENXGHCGXJDEJU-INIZCTEOSA-N 2 2 351.495 0.326 20 0 FCADLP [NH3+]CCCCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000418535964 489705227 /nfs/dbraw/zinc/70/52/27/489705227.db2.gz ZUZLQADBNNXVST-MRXNPFEDSA-N 2 2 350.463 0.492 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458849758 489705571 /nfs/dbraw/zinc/70/55/71/489705571.db2.gz SRFVGGAVUBWGLO-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000458849758 489705576 /nfs/dbraw/zinc/70/55/76/489705576.db2.gz SRFVGGAVUBWGLO-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458849758 489705578 /nfs/dbraw/zinc/70/55/78/489705578.db2.gz SRFVGGAVUBWGLO-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000458849758 489705579 /nfs/dbraw/zinc/70/55/79/489705579.db2.gz SRFVGGAVUBWGLO-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cccc(C[NH+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000489361147 489708255 /nfs/dbraw/zinc/70/82/55/489708255.db2.gz MQTJMFUKSVOMIA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cccc(C[NH+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000489361147 489708257 /nfs/dbraw/zinc/70/82/57/489708257.db2.gz MQTJMFUKSVOMIA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000489361147 489708260 /nfs/dbraw/zinc/70/82/60/489708260.db2.gz MQTJMFUKSVOMIA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1 ZINC000489361147 489708264 /nfs/dbraw/zinc/70/82/64/489708264.db2.gz MQTJMFUKSVOMIA-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@](O)(CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)C[NH+]1CCOCC1 ZINC000418633361 489713325 /nfs/dbraw/zinc/71/33/25/489713325.db2.gz ICNFQDGYOILGKZ-PKOBYXMFSA-N 2 2 362.474 0.256 20 0 FCADLP C[C@](O)(CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)C[NH+]1CCOCC1 ZINC000418633360 489713466 /nfs/dbraw/zinc/71/34/66/489713466.db2.gz ICNFQDGYOILGKZ-MJGOQNOKSA-N 2 2 362.474 0.256 20 0 FCADLP C[C@H](CCC[NH3+])NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418698350 489719102 /nfs/dbraw/zinc/71/91/02/489719102.db2.gz HKLWKYPLKOJPRQ-HZPDHXFCSA-N 2 2 353.511 0.842 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418731860 489720224 /nfs/dbraw/zinc/72/02/24/489720224.db2.gz TZSPUEVPYPVULE-HZPDHXFCSA-N 2 2 353.511 0.700 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000418732744 489720411 /nfs/dbraw/zinc/72/04/11/489720411.db2.gz UUGULLYULGAHNS-JKSUJKDBSA-N 2 2 351.495 0.454 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000418758257 489723147 /nfs/dbraw/zinc/72/31/47/489723147.db2.gz CHKIKSRBTLWGRY-INIZCTEOSA-N 2 2 351.495 0.468 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418798307 489729498 /nfs/dbraw/zinc/72/94/98/489729498.db2.gz HCPVTDRGDXGABM-ZDUSSCGKSA-N 2 2 368.428 0.901 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418798307 489729503 /nfs/dbraw/zinc/72/95/03/489729503.db2.gz HCPVTDRGDXGABM-ZDUSSCGKSA-N 2 2 368.428 0.901 20 0 FCADLP C[C@H]([C@H](C)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCOCC1 ZINC000376036687 489729835 /nfs/dbraw/zinc/72/98/35/489729835.db2.gz ZGLMAHUSYYCMJZ-LSDHHAIUSA-N 2 2 364.494 1.381 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)cn21 ZINC000418800496 489730177 /nfs/dbraw/zinc/73/01/77/489730177.db2.gz XBNBFHZUCOXGML-OCCSQVGLSA-N 2 2 359.430 0.488 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H](O)C(F)(F)F ZINC000430310284 489730394 /nfs/dbraw/zinc/73/03/94/489730394.db2.gz ZLDCLYZPMSYEFE-UONOGXRCSA-N 2 2 356.348 0.841 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCCOC1CCCCC1 ZINC000489856260 489731716 /nfs/dbraw/zinc/73/17/16/489731716.db2.gz IYSHCZCNTZWHKT-KRWDZBQOSA-N 2 2 352.523 0.822 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489885770 489733536 /nfs/dbraw/zinc/73/35/36/489733536.db2.gz PYQQQVJOMAZNTQ-GOSISDBHSA-N 2 2 360.502 0.860 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)C2=O)c1 ZINC000489959819 489737910 /nfs/dbraw/zinc/73/79/10/489737910.db2.gz WFOPMPIEXPBXEE-BEFAXECRSA-N 2 2 374.485 0.789 20 0 FCADLP CN1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCC1=O ZINC000430524859 489744221 /nfs/dbraw/zinc/74/42/21/489744221.db2.gz MRYHHLCSZNOCDB-WBVHZDCISA-N 2 2 355.442 0.538 20 0 FCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000430548318 489744495 /nfs/dbraw/zinc/74/44/95/489744495.db2.gz GWPNRUXHWPIHPL-SFHVURJKSA-N 3 2 352.523 0.855 20 0 FCADLP C[C@](C[NH3+])([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430546792 489744892 /nfs/dbraw/zinc/74/48/92/489744892.db2.gz KDGHWOLUWQJHTF-NVXWUHKLSA-N 2 2 357.520 0.662 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430576255 489748491 /nfs/dbraw/zinc/74/84/91/489748491.db2.gz SBBBIPLLSZDBCO-GOSISDBHSA-N 2 2 350.463 0.867 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000555852223 491276601 /nfs/dbraw/zinc/27/66/01/491276601.db2.gz AHNAPALEFVMUNB-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000555852223 491276604 /nfs/dbraw/zinc/27/66/04/491276604.db2.gz AHNAPALEFVMUNB-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418840903 489751380 /nfs/dbraw/zinc/75/13/80/489751380.db2.gz YLGJUSIZURKPJJ-JQHSSLGASA-N 2 2 374.485 0.199 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418840903 489751382 /nfs/dbraw/zinc/75/13/82/489751382.db2.gz YLGJUSIZURKPJJ-JQHSSLGASA-N 2 2 374.485 0.199 20 0 FCADLP CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000459785879 489752867 /nfs/dbraw/zinc/75/28/67/489752867.db2.gz AMFMCMAPCRXGFU-ZWKOTPCHSA-N 2 2 363.458 0.138 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000418844782 489753321 /nfs/dbraw/zinc/75/33/21/489753321.db2.gz LCOORXZWMJODDM-IMJJTQAJSA-N 2 2 355.442 0.845 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614374 489753337 /nfs/dbraw/zinc/75/33/37/489753337.db2.gz YVLNQOGVAPXDCM-JKSUJKDBSA-N 2 2 362.474 0.884 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614374 489753341 /nfs/dbraw/zinc/75/33/41/489753341.db2.gz YVLNQOGVAPXDCM-JKSUJKDBSA-N 2 2 362.474 0.884 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[NH2+]C1 ZINC000418846700 489753526 /nfs/dbraw/zinc/75/35/26/489753526.db2.gz SMQBDNFKTZDWLG-LJQANCHMSA-N 2 2 355.442 0.994 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)cn2c1 ZINC000418844168 489753580 /nfs/dbraw/zinc/75/35/80/489753580.db2.gz JOUOJPIGUHEETK-TZMCWYRMSA-N 2 2 359.430 0.488 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2c1 ZINC000418844779 489753628 /nfs/dbraw/zinc/75/36/28/489753628.db2.gz LCOORXZWMJODDM-CWRNSKLLSA-N 2 2 355.442 0.845 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418847602 489754080 /nfs/dbraw/zinc/75/40/80/489754080.db2.gz VQTVIBWUSYYPQC-HNNXBMFYSA-N 2 2 355.442 0.994 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1C ZINC000430618998 489755238 /nfs/dbraw/zinc/75/52/38/489755238.db2.gz YKSHGFFXIUSLSA-ZDUSSCGKSA-N 2 2 354.476 0.512 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1C ZINC000430618998 489755243 /nfs/dbraw/zinc/75/52/43/489755243.db2.gz YKSHGFFXIUSLSA-ZDUSSCGKSA-N 2 2 354.476 0.512 20 0 FCADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430622307 489755815 /nfs/dbraw/zinc/75/58/15/489755815.db2.gz FIWXSULXHZJDSB-KMYSJOAASA-N 2 2 362.518 0.824 20 0 FCADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430622307 489755818 /nfs/dbraw/zinc/75/58/18/489755818.db2.gz FIWXSULXHZJDSB-KMYSJOAASA-N 2 2 362.518 0.824 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000430621047 489755841 /nfs/dbraw/zinc/75/58/41/489755841.db2.gz JAHLSFYTHMAZGL-WMZOPIPTSA-N 2 2 374.485 0.386 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000430621044 489756076 /nfs/dbraw/zinc/75/60/76/489756076.db2.gz JAHLSFYTHMAZGL-SJLPKXTDSA-N 2 2 374.485 0.386 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000430625268 489757268 /nfs/dbraw/zinc/75/72/68/489757268.db2.gz JTJUBCPXAPHODD-LBPRGKRZSA-N 2 2 365.503 0.747 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000430625268 489757271 /nfs/dbraw/zinc/75/72/71/489757271.db2.gz JTJUBCPXAPHODD-LBPRGKRZSA-N 2 2 365.503 0.747 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430641839 489761137 /nfs/dbraw/zinc/76/11/37/489761137.db2.gz JGWIXADHHNATHD-UHFFFAOYSA-N 2 2 362.474 0.162 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430641839 489761141 /nfs/dbraw/zinc/76/11/41/489761141.db2.gz JGWIXADHHNATHD-UHFFFAOYSA-N 2 2 362.474 0.162 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1)N1CC[NH2+]CC1 ZINC000430651568 489762955 /nfs/dbraw/zinc/76/29/55/489762955.db2.gz VYVIXDVPAAYFEB-LLVKDONJSA-N 2 2 361.368 0.818 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1)N1CC[NH2+]CC1 ZINC000430651568 489762958 /nfs/dbraw/zinc/76/29/58/489762958.db2.gz VYVIXDVPAAYFEB-LLVKDONJSA-N 2 2 361.368 0.818 20 0 FCADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430694341 489764702 /nfs/dbraw/zinc/76/47/02/489764702.db2.gz DCFDIQXVAIOCEP-ZNXRZULTSA-N 2 2 362.518 0.968 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CC1CC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000430696882 489765514 /nfs/dbraw/zinc/76/55/14/489765514.db2.gz WSANMTHAAKZHHO-MAUKXSAKSA-N 2 2 368.522 0.355 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430703257 489765727 /nfs/dbraw/zinc/76/57/27/489765727.db2.gz JMTJECRVYSXJIB-VGWMRTNUSA-N 2 2 354.495 0.093 20 0 FCADLP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000430722910 489766774 /nfs/dbraw/zinc/76/67/74/489766774.db2.gz NYDKGOXMZOQHQQ-CHWSQXEVSA-N 2 2 350.467 0.350 20 0 FCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430727824 489768153 /nfs/dbraw/zinc/76/81/53/489768153.db2.gz ZUCZGLVAQVBNFO-GOSISDBHSA-N 2 2 358.486 0.617 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000474600843 489772945 /nfs/dbraw/zinc/77/29/45/489772945.db2.gz PVUVBGNWBBYLHH-QGZVFWFLSA-N 2 2 371.489 0.909 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000474600843 489772947 /nfs/dbraw/zinc/77/29/47/489772947.db2.gz PVUVBGNWBBYLHH-QGZVFWFLSA-N 2 2 371.489 0.909 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418884015 489774413 /nfs/dbraw/zinc/77/44/13/489774413.db2.gz DSJAILMPVMUJBD-OAHLLOKOSA-N 2 2 373.457 0.346 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418886317 489775622 /nfs/dbraw/zinc/77/56/22/489775622.db2.gz KSJQEJIEWWPVGX-AWEZNQCLSA-N 2 2 359.430 0.037 20 0 FCADLP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000430914039 489776461 /nfs/dbraw/zinc/77/64/61/489776461.db2.gz HMOCEEPBMKNYKR-QGZVFWFLSA-N 2 2 360.458 0.353 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459873634 489776702 /nfs/dbraw/zinc/77/67/02/489776702.db2.gz WAEPSSDKZOLCMF-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000430930999 489778132 /nfs/dbraw/zinc/77/81/32/489778132.db2.gz BXYLKLLKJRLQQG-KGLIPLIRSA-N 2 2 350.488 0.702 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000430930999 489778135 /nfs/dbraw/zinc/77/81/35/489778135.db2.gz BXYLKLLKJRLQQG-KGLIPLIRSA-N 2 2 350.488 0.702 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C[C@H]1c1ccccc1 ZINC000418895812 489779883 /nfs/dbraw/zinc/77/98/83/489779883.db2.gz JUUUWQLNFOAOCA-DLBZAZTESA-N 2 2 363.421 0.904 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000459883097 489780504 /nfs/dbraw/zinc/78/05/04/489780504.db2.gz FTKRVCYOZHDSCH-UHFFFAOYSA-N 2 2 368.522 0.357 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430942141 489780761 /nfs/dbraw/zinc/78/07/61/489780761.db2.gz KUMVKLPIFVGFAN-GOEBONIOSA-N 2 2 359.536 0.861 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)C2)CC1 ZINC000376712855 489782366 /nfs/dbraw/zinc/78/23/66/489782366.db2.gz SNFKEMDBNUHCFG-LLVKDONJSA-N 2 2 365.865 0.732 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)C2)CC1 ZINC000376712855 489782370 /nfs/dbraw/zinc/78/23/70/489782370.db2.gz SNFKEMDBNUHCFG-LLVKDONJSA-N 2 2 365.865 0.732 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968696 489782751 /nfs/dbraw/zinc/78/27/51/489782751.db2.gz AZOQKFRDGZRLNU-LALPHHSUSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968696 489782753 /nfs/dbraw/zinc/78/27/53/489782753.db2.gz AZOQKFRDGZRLNU-LALPHHSUSA-N 2 2 366.487 0.281 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418906670 489785025 /nfs/dbraw/zinc/78/50/25/489785025.db2.gz QRUIZFMURHBWOK-WBVHZDCISA-N 2 2 353.426 0.368 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000431011889 489785890 /nfs/dbraw/zinc/78/58/90/489785890.db2.gz CLUSFRAFAQAGFW-LSDHHAIUSA-N 2 2 357.520 0.486 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000431046232 489786212 /nfs/dbraw/zinc/78/62/12/489786212.db2.gz CCVAPCGDUKXPEF-DLBZAZTESA-N 2 2 360.458 0.815 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459905927 489786280 /nfs/dbraw/zinc/78/62/80/489786280.db2.gz OHWZCBSNCOQSNU-UHFFFAOYSA-N 2 2 361.490 0.776 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000474853418 489790431 /nfs/dbraw/zinc/79/04/31/489790431.db2.gz UEQDNSXEUSVLFP-HNNXBMFYSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000474853418 489790436 /nfs/dbraw/zinc/79/04/36/489790436.db2.gz UEQDNSXEUSVLFP-HNNXBMFYSA-N 2 2 374.551 0.621 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000418919137 489791125 /nfs/dbraw/zinc/79/11/25/489791125.db2.gz WPTJZTRZYCCSLZ-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000490994991 489792402 /nfs/dbraw/zinc/79/24/02/489792402.db2.gz MYBKZPGQBKHPJZ-HKUYNNGSSA-N 3 2 365.566 0.545 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000490994991 489792408 /nfs/dbraw/zinc/79/24/08/489792408.db2.gz MYBKZPGQBKHPJZ-HKUYNNGSSA-N 3 2 365.566 0.545 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H](C)[NH2+]1 ZINC000418932730 489794996 /nfs/dbraw/zinc/79/49/96/489794996.db2.gz ADZLMLCBMQAJHF-BETUJISGSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H](C)[NH2+]1 ZINC000418932730 489794999 /nfs/dbraw/zinc/79/49/99/489794999.db2.gz ADZLMLCBMQAJHF-BETUJISGSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418935028 489796276 /nfs/dbraw/zinc/79/62/76/489796276.db2.gz CNLZTJQHJZRBBL-UKRRQHHQSA-N 2 2 364.515 0.951 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418935028 489796282 /nfs/dbraw/zinc/79/62/82/489796282.db2.gz CNLZTJQHJZRBBL-UKRRQHHQSA-N 2 2 364.515 0.951 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418935789 489796388 /nfs/dbraw/zinc/79/63/88/489796388.db2.gz DBIGIPFVPPMIRQ-CQSZACIVSA-N 2 2 364.515 0.810 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418935789 489796392 /nfs/dbraw/zinc/79/63/92/489796392.db2.gz DBIGIPFVPPMIRQ-CQSZACIVSA-N 2 2 364.515 0.810 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418948399 489800392 /nfs/dbraw/zinc/80/03/92/489800392.db2.gz UBKUBGPTSFGQDK-HIFRSBDPSA-N 2 2 362.499 0.290 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418948399 489800398 /nfs/dbraw/zinc/80/03/98/489800398.db2.gz UBKUBGPTSFGQDK-HIFRSBDPSA-N 2 2 362.499 0.290 20 0 FCADLP CCCN(C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]C1 ZINC000418947761 489800803 /nfs/dbraw/zinc/80/08/03/489800803.db2.gz SWWXKTRIAMLIDU-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP CCCN(C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]C1 ZINC000418947761 489800805 /nfs/dbraw/zinc/80/08/05/489800805.db2.gz SWWXKTRIAMLIDU-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000555883296 491279579 /nfs/dbraw/zinc/27/95/79/491279579.db2.gz KBSHCCPUYMICJR-AWEZNQCLSA-N 2 2 359.474 0.928 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418950043 489801723 /nfs/dbraw/zinc/80/17/23/489801723.db2.gz VKJNRKXBPVCYFT-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418950043 489801726 /nfs/dbraw/zinc/80/17/26/489801726.db2.gz VKJNRKXBPVCYFT-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000376830509 489802251 /nfs/dbraw/zinc/80/22/51/489802251.db2.gz NNGWSYNGDBUIJH-GJZGRUSLSA-N 2 2 350.467 0.772 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000459990825 489810122 /nfs/dbraw/zinc/81/01/22/489810122.db2.gz NIVVDZWFBXXEJT-UHFFFAOYSA-N 2 2 371.485 0.593 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418982575 489810149 /nfs/dbraw/zinc/81/01/49/489810149.db2.gz CAVDFCOLEALYHU-OAHLLOKOSA-N 2 2 357.458 0.967 20 0 FCADLP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000459993858 489811372 /nfs/dbraw/zinc/81/13/72/489811372.db2.gz UBBYJVIMHQHETR-QGZVFWFLSA-N 2 2 358.442 0.616 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CN1CC[NH+]1CCOCC1 ZINC000376886187 489811936 /nfs/dbraw/zinc/81/19/36/489811936.db2.gz GEYRDDYASZVFAY-RDBSUJKOSA-N 2 2 365.396 0.619 20 0 FCADLP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000459993856 489811958 /nfs/dbraw/zinc/81/19/58/489811958.db2.gz UBBYJVIMHQHETR-KRWDZBQOSA-N 2 2 358.442 0.616 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459994354 489812318 /nfs/dbraw/zinc/81/23/18/489812318.db2.gz UWLSSNVMZGIJFD-KRWDZBQOSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000459994354 489812323 /nfs/dbraw/zinc/81/23/23/489812323.db2.gz UWLSSNVMZGIJFD-KRWDZBQOSA-N 3 2 367.538 0.023 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419005869 489815432 /nfs/dbraw/zinc/81/54/32/489815432.db2.gz VZQLURWJWKGJJU-HRCADAONSA-N 2 2 369.469 0.965 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc2[nH+]ccn2C)o1 ZINC000460017380 489819172 /nfs/dbraw/zinc/81/91/72/489819172.db2.gz GNHDJDQBIJOTMH-UHFFFAOYSA-N 2 2 361.446 0.870 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@@H]1[NH3+] ZINC000419016908 489819299 /nfs/dbraw/zinc/81/92/99/489819299.db2.gz AHTKUHIORPEGQQ-WFASDCNBSA-N 2 2 359.405 0.823 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000419017172 489819491 /nfs/dbraw/zinc/81/94/91/489819491.db2.gz AQTORSBUAYJRFY-GOSISDBHSA-N 2 2 359.405 0.825 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000460027064 489822710 /nfs/dbraw/zinc/82/27/10/489822710.db2.gz HLYFOEGUOBOYIO-INIZCTEOSA-N 2 2 368.522 0.092 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419046949 489832843 /nfs/dbraw/zinc/83/28/43/489832843.db2.gz XAEBFWDEXKESAP-UHFFFAOYSA-N 2 2 368.235 0.357 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432438327 489841577 /nfs/dbraw/zinc/84/15/77/489841577.db2.gz YIWWRONLYSDVQR-UHFFFAOYSA-N 2 2 364.494 0.907 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)CC[NH2+]1 ZINC000419067443 489843097 /nfs/dbraw/zinc/84/30/97/489843097.db2.gz DLINKVZPZDQBOH-WFASDCNBSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C[C@H](C)[NH2+]1 ZINC000419071774 489845329 /nfs/dbraw/zinc/84/53/29/489845329.db2.gz IZAWPRGAUNEVOK-ZENOOKHLSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419071798 489845348 /nfs/dbraw/zinc/84/53/48/489845348.db2.gz JBVGLDDJXPVGAA-SWLSCSKDSA-N 2 2 359.405 0.585 20 0 FCADLP COCc1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(N)n1 ZINC000493371203 489845418 /nfs/dbraw/zinc/84/54/18/489845418.db2.gz UREBZIRXYWJYOY-UHFFFAOYSA-N 2 2 362.478 0.494 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000460082163 489847632 /nfs/dbraw/zinc/84/76/32/489847632.db2.gz UHCWIDYYGUXTGQ-MRXNPFEDSA-N 2 2 359.474 0.875 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000460082163 489847636 /nfs/dbraw/zinc/84/76/36/489847636.db2.gz UHCWIDYYGUXTGQ-MRXNPFEDSA-N 2 2 359.474 0.875 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH+](C(C)C)CC2)([NH+]2CCOCC2)C1 ZINC000377077560 489848667 /nfs/dbraw/zinc/84/86/67/489848667.db2.gz LLNLKILJYVEPCE-UHFFFAOYSA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419111180 489859928 /nfs/dbraw/zinc/85/99/28/489859928.db2.gz DCHJORLIJOTCCA-HZMVEIRTSA-N 2 2 366.506 0.045 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419114028 489860942 /nfs/dbraw/zinc/86/09/42/489860942.db2.gz HLFZQBIENBQXPL-IAGOWNOFSA-N 2 2 368.522 0.483 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000419116947 489862402 /nfs/dbraw/zinc/86/24/02/489862402.db2.gz LWGZBADGJDIHEN-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165909 489862621 /nfs/dbraw/zinc/86/26/21/489862621.db2.gz SWWRCAXZXDLNBY-IRXDYDNUSA-N 2 2 368.522 0.008 20 0 FCADLP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165909 489862624 /nfs/dbraw/zinc/86/26/24/489862624.db2.gz SWWRCAXZXDLNBY-IRXDYDNUSA-N 2 2 368.522 0.008 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000419119804 489864493 /nfs/dbraw/zinc/86/44/93/489864493.db2.gz PGAGPNLWRZQYFC-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000419119803 489864551 /nfs/dbraw/zinc/86/45/51/489864551.db2.gz PGAGPNLWRZQYFC-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419122391 489865969 /nfs/dbraw/zinc/86/59/69/489865969.db2.gz TXNVTPJCMDWOMM-PMPSAXMXSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000419122366 489866354 /nfs/dbraw/zinc/86/63/54/489866354.db2.gz TVCNWQFBDCKGJF-JKSUJKDBSA-N 2 2 356.511 0.291 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419123565 489866971 /nfs/dbraw/zinc/86/69/71/489866971.db2.gz HBVFHQFNSTZVMS-DOTOQJQBSA-N 2 2 369.469 0.847 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000419123360 489867127 /nfs/dbraw/zinc/86/71/27/489867127.db2.gz VSBNCEGPLPEESY-VYDXJSESSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419123808 489868081 /nfs/dbraw/zinc/86/80/81/489868081.db2.gz WKUBRFQQJGEHDA-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000433150292 489868694 /nfs/dbraw/zinc/86/86/94/489868694.db2.gz LJZXCXSMELBFJW-HRCADAONSA-N 2 2 356.511 0.197 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419125075 489868666 /nfs/dbraw/zinc/86/86/66/489868666.db2.gz YVSWRSAVZIXVFI-ZACQAIPSSA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)OC[C@@H](CO)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433168115 489869417 /nfs/dbraw/zinc/86/94/17/489869417.db2.gz QISZEQUGLBXXOQ-QGZVFWFLSA-N 2 2 364.490 0.838 20 0 FCADLP CC(C)OC[C@@H](CO)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433168115 489869423 /nfs/dbraw/zinc/86/94/23/489869423.db2.gz QISZEQUGLBXXOQ-QGZVFWFLSA-N 2 2 364.490 0.838 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000419982769 489872454 /nfs/dbraw/zinc/87/24/54/489872454.db2.gz BOLMZDDLRHVIEA-HNNXBMFYSA-N 2 2 362.474 0.583 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419981787 489872534 /nfs/dbraw/zinc/87/25/34/489872534.db2.gz UPSMPJHLKFGLMO-OAHLLOKOSA-N 2 2 354.495 0.237 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419981787 489872539 /nfs/dbraw/zinc/87/25/39/489872539.db2.gz UPSMPJHLKFGLMO-OAHLLOKOSA-N 2 2 354.495 0.237 20 0 FCADLP C[C@@H]1CN(Cc2nnnn2C2CCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000433242337 489873460 /nfs/dbraw/zinc/87/34/60/489873460.db2.gz FTRSAIQBMVIKBS-OAHLLOKOSA-N 2 2 363.510 0.625 20 0 FCADLP C[C@@H]1CN(Cc2nnnn2C2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000433242337 489873463 /nfs/dbraw/zinc/87/34/63/489873463.db2.gz FTRSAIQBMVIKBS-OAHLLOKOSA-N 2 2 363.510 0.625 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420005538 489879468 /nfs/dbraw/zinc/87/94/68/489879468.db2.gz WQQUNOBKEIWXBV-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420005538 489879470 /nfs/dbraw/zinc/87/94/70/489879470.db2.gz WQQUNOBKEIWXBV-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000420025946 489885156 /nfs/dbraw/zinc/88/51/56/489885156.db2.gz BVVLVCZFRXWEJD-TZMCWYRMSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420031294 489886825 /nfs/dbraw/zinc/88/68/25/489886825.db2.gz RKBGTHNTBYFAKR-ZDUSSCGKSA-N 2 2 352.866 0.838 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420031294 489886830 /nfs/dbraw/zinc/88/68/30/489886830.db2.gz RKBGTHNTBYFAKR-ZDUSSCGKSA-N 2 2 352.866 0.838 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000476460639 489890897 /nfs/dbraw/zinc/89/08/97/489890897.db2.gz PRFBDSPZQMFEBV-CALCHBBNSA-N 2 2 356.511 0.849 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000476460639 489890899 /nfs/dbraw/zinc/89/08/99/489890899.db2.gz PRFBDSPZQMFEBV-CALCHBBNSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420067447 489901127 /nfs/dbraw/zinc/90/11/27/489901127.db2.gz YANBYUPEVDKCHK-YJBOKZPZSA-N 2 2 373.501 0.921 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420068726 489902517 /nfs/dbraw/zinc/90/25/17/489902517.db2.gz VBGVUTMPFHEOIP-SFHVURJKSA-N 2 2 374.485 0.583 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070578 489903659 /nfs/dbraw/zinc/90/36/59/489903659.db2.gz JUFHETCAOFFAFG-KRWDZBQOSA-N 3 2 367.538 0.105 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420070578 489903664 /nfs/dbraw/zinc/90/36/64/489903664.db2.gz JUFHETCAOFFAFG-KRWDZBQOSA-N 3 2 367.538 0.105 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434096660 489912772 /nfs/dbraw/zinc/91/27/72/489912772.db2.gz WZFKWCJUKAJFTM-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000434285515 489920281 /nfs/dbraw/zinc/92/02/81/489920281.db2.gz CHPOHDASAOKKDW-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420132090 489923960 /nfs/dbraw/zinc/92/39/60/489923960.db2.gz ADJIMBBSYSALLC-QPJJXVBHSA-N 2 2 368.481 0.880 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434435051 489927423 /nfs/dbraw/zinc/92/74/23/489927423.db2.gz OYXSUEXAFCCYAC-UHFFFAOYSA-N 2 2 353.511 0.176 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000495227819 489932031 /nfs/dbraw/zinc/93/20/31/489932031.db2.gz IKWAJYLEYMZQSE-AEFFLSMTSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000495227819 489932034 /nfs/dbraw/zinc/93/20/34/489932034.db2.gz IKWAJYLEYMZQSE-AEFFLSMTSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420152298 489933705 /nfs/dbraw/zinc/93/37/05/489933705.db2.gz OKUCEIVQUUXEDO-UHFFFAOYSA-N 2 2 368.428 0.820 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420152298 489933706 /nfs/dbraw/zinc/93/37/06/489933706.db2.gz OKUCEIVQUUXEDO-UHFFFAOYSA-N 2 2 368.428 0.820 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556013100 491289138 /nfs/dbraw/zinc/28/91/38/491289138.db2.gz TWMDLMZPMWGNPE-KRWDZBQOSA-N 2 2 367.453 0.901 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000556013100 491289140 /nfs/dbraw/zinc/28/91/40/491289140.db2.gz TWMDLMZPMWGNPE-KRWDZBQOSA-N 2 2 367.453 0.901 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000420165224 489937645 /nfs/dbraw/zinc/93/76/45/489937645.db2.gz NARKNATUXGPYEQ-SFHVURJKSA-N 2 2 356.470 0.928 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000420165224 489937646 /nfs/dbraw/zinc/93/76/46/489937646.db2.gz NARKNATUXGPYEQ-SFHVURJKSA-N 2 2 356.470 0.928 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@@H](C[NH3+])C1CC1 ZINC000461900502 489944230 /nfs/dbraw/zinc/94/42/30/489944230.db2.gz SOBBHAWGLUGYCT-IBGZPJMESA-N 2 2 372.513 0.935 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420188010 489945751 /nfs/dbraw/zinc/94/57/51/489945751.db2.gz MNBQXDSFYQBXGQ-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000477209787 489949778 /nfs/dbraw/zinc/94/97/78/489949778.db2.gz WJWCRIRNTOONTL-QFBILLFUSA-N 2 2 368.522 0.404 20 0 FCADLP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297404 489960717 /nfs/dbraw/zinc/96/07/17/489960717.db2.gz DCSOVABQBFQAOI-ULQDDVLXSA-N 2 2 355.504 0.321 20 0 FCADLP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297404 489960720 /nfs/dbraw/zinc/96/07/20/489960720.db2.gz DCSOVABQBFQAOI-ULQDDVLXSA-N 2 2 355.504 0.321 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1S(N)(=O)=O ZINC000420295927 489960900 /nfs/dbraw/zinc/96/09/00/489960900.db2.gz WHEVJGFZCWMFPY-CQSZACIVSA-N 2 2 356.492 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1S(N)(=O)=O ZINC000420295927 489960903 /nfs/dbraw/zinc/96/09/03/489960903.db2.gz WHEVJGFZCWMFPY-CQSZACIVSA-N 2 2 356.492 0.886 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000420300718 489961214 /nfs/dbraw/zinc/96/12/14/489961214.db2.gz DBRDAVDHPSJBBF-RWMBFGLXSA-N 2 2 355.446 0.797 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000420300718 489961218 /nfs/dbraw/zinc/96/12/18/489961218.db2.gz DBRDAVDHPSJBBF-RWMBFGLXSA-N 2 2 355.446 0.797 20 0 FCADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1 ZINC000420306365 489961224 /nfs/dbraw/zinc/96/12/24/489961224.db2.gz ALQRQHWPXFNQAC-MRXNPFEDSA-N 2 2 357.458 0.653 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000420300716 489961728 /nfs/dbraw/zinc/96/17/28/489961728.db2.gz DBRDAVDHPSJBBF-AVGNSLFASA-N 2 2 355.446 0.797 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000420300716 489961731 /nfs/dbraw/zinc/96/17/31/489961731.db2.gz DBRDAVDHPSJBBF-AVGNSLFASA-N 2 2 355.446 0.797 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329214 489963500 /nfs/dbraw/zinc/96/35/00/489963500.db2.gz OBQDAUUOGUUMNP-LZWOXQAQSA-N 2 2 355.479 0.378 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329214 489963504 /nfs/dbraw/zinc/96/35/04/489963504.db2.gz OBQDAUUOGUUMNP-LZWOXQAQSA-N 2 2 355.479 0.378 20 0 FCADLP COC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000434873457 489964110 /nfs/dbraw/zinc/96/41/10/489964110.db2.gz JWAFLBWMKJOTEP-SJORKVTESA-N 2 2 356.511 0.848 20 0 FCADLP COC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000434873457 489964112 /nfs/dbraw/zinc/96/41/12/489964112.db2.gz JWAFLBWMKJOTEP-SJORKVTESA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000420341759 489964573 /nfs/dbraw/zinc/96/45/73/489964573.db2.gz QDWZOUCXDOAAMR-OCCSQVGLSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000420341759 489964575 /nfs/dbraw/zinc/96/45/75/489964575.db2.gz QDWZOUCXDOAAMR-OCCSQVGLSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000420353306 489966254 /nfs/dbraw/zinc/96/62/54/489966254.db2.gz AINQKEHRWLAFFA-IQMDTDKHSA-N 2 2 374.894 0.902 20 0 FCADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420352361 489966299 /nfs/dbraw/zinc/96/62/99/489966299.db2.gz MLEVFDIUQIKBCR-CZUORRHYSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420352361 489966302 /nfs/dbraw/zinc/96/63/02/489966302.db2.gz MLEVFDIUQIKBCR-CZUORRHYSA-N 2 2 351.447 0.619 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350279 489966403 /nfs/dbraw/zinc/96/64/03/489966403.db2.gz GIAKRJNBAAOHOM-DNVCBOLYSA-N 2 2 365.474 0.913 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350279 489966408 /nfs/dbraw/zinc/96/64/08/489966408.db2.gz GIAKRJNBAAOHOM-DNVCBOLYSA-N 2 2 365.474 0.913 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1[NH3+] ZINC000420353357 489967414 /nfs/dbraw/zinc/96/74/14/489967414.db2.gz AZRDUDLVNIXREQ-YJBOKZPZSA-N 2 2 358.486 0.545 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1C ZINC000420378165 489969793 /nfs/dbraw/zinc/96/97/93/489969793.db2.gz WYQYWUNJLGQWPV-ANTHHZPCSA-N 2 2 368.503 0.865 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374767 489970028 /nfs/dbraw/zinc/97/00/28/489970028.db2.gz SJLIKEXXHAEMSI-ROUUACIJSA-N 3 2 354.539 0.957 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374767 489970030 /nfs/dbraw/zinc/97/00/30/489970030.db2.gz SJLIKEXXHAEMSI-ROUUACIJSA-N 3 2 354.539 0.957 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396497 489971525 /nfs/dbraw/zinc/97/15/25/489971525.db2.gz FJQYGUPDRVFUOV-AAEUAGOBSA-N 2 2 354.476 0.498 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396497 489971528 /nfs/dbraw/zinc/97/15/28/489971528.db2.gz FJQYGUPDRVFUOV-AAEUAGOBSA-N 2 2 354.476 0.498 20 0 FCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000462383825 489972350 /nfs/dbraw/zinc/97/23/50/489972350.db2.gz JLXJWONYRKTEPZ-SFHVURJKSA-N 2 2 362.499 0.718 20 0 FCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000462383825 489972354 /nfs/dbraw/zinc/97/23/54/489972354.db2.gz JLXJWONYRKTEPZ-SFHVURJKSA-N 2 2 362.499 0.718 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477559603 489972993 /nfs/dbraw/zinc/97/29/93/489972993.db2.gz OCKXRTXSGSEHGT-MRXNPFEDSA-N 2 2 371.503 0.062 20 0 FCADLP COCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000556078601 491292735 /nfs/dbraw/zinc/29/27/35/491292735.db2.gz XDSDZTHFVQPINH-INIZCTEOSA-N 2 2 362.474 0.592 20 0 FCADLP O=C(N1CC[NH+](Cc2ccccn2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000564090797 491288106 /nfs/dbraw/zinc/28/81/06/491288106.db2.gz VOTYOBMRRUWEQU-UHFFFAOYSA-N 2 2 354.458 0.701 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435380002 490000319 /nfs/dbraw/zinc/00/03/19/490000319.db2.gz OYUVJPFRMWFFTQ-INIZCTEOSA-N 2 2 363.458 0.856 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435380002 490000322 /nfs/dbraw/zinc/00/03/22/490000322.db2.gz OYUVJPFRMWFFTQ-INIZCTEOSA-N 2 2 363.458 0.856 20 0 FCADLP O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478013600 490000690 /nfs/dbraw/zinc/00/06/90/490000690.db2.gz DWLAFUFCRFSRIC-CZUORRHYSA-N 2 2 359.430 0.099 20 0 FCADLP O=C(Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478013600 490000694 /nfs/dbraw/zinc/00/06/94/490000694.db2.gz DWLAFUFCRFSRIC-CZUORRHYSA-N 2 2 359.430 0.099 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[NH+]2CCN1CCC2 ZINC000478067478 490003557 /nfs/dbraw/zinc/00/35/57/490003557.db2.gz ZIZPWHZGXPCQBA-RTBURBONSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478067478 490003561 /nfs/dbraw/zinc/00/35/61/490003561.db2.gz ZIZPWHZGXPCQBA-RTBURBONSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000478067478 490003566 /nfs/dbraw/zinc/00/35/66/490003566.db2.gz ZIZPWHZGXPCQBA-RTBURBONSA-N 2 2 358.486 0.394 20 0 FCADLP C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(CC[NH+]2CCCOCC2)CCO1 ZINC000463196871 490003802 /nfs/dbraw/zinc/00/38/02/490003802.db2.gz GLOQCCGANWMGQA-KRWDZBQOSA-N 2 2 371.522 0.683 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C[C@H]1CN(CC[N@@H+]2CCCOCC2)CCO1 ZINC000463196871 490003810 /nfs/dbraw/zinc/00/38/10/490003810.db2.gz GLOQCCGANWMGQA-KRWDZBQOSA-N 2 2 371.522 0.683 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C[C@H]1CN(CC[N@H+]2CCCOCC2)CCO1 ZINC000463196871 490003813 /nfs/dbraw/zinc/00/38/13/490003813.db2.gz GLOQCCGANWMGQA-KRWDZBQOSA-N 2 2 371.522 0.683 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478199505 490009426 /nfs/dbraw/zinc/00/94/26/490009426.db2.gz RNQYGJTWQWWLIP-WMZOPIPTSA-N 2 2 370.538 0.831 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000478266230 490012944 /nfs/dbraw/zinc/01/29/44/490012944.db2.gz PNMREOUZGNOHDF-QGZVFWFLSA-N 2 2 350.438 0.524 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000478266230 490012948 /nfs/dbraw/zinc/01/29/48/490012948.db2.gz PNMREOUZGNOHDF-QGZVFWFLSA-N 2 2 350.438 0.524 20 0 FCADLP CC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC1 ZINC000437084394 490018331 /nfs/dbraw/zinc/01/83/31/490018331.db2.gz VWPLGYTVIBTORT-UHFFFAOYSA-N 2 2 372.457 0.921 20 0 FCADLP [NH3+]Cc1cc(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)ccn1 ZINC000463496599 490020727 /nfs/dbraw/zinc/02/07/27/490020727.db2.gz YFWWMJKKWZMDDH-UHFFFAOYSA-N 2 2 373.501 0.995 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000420814571 490024075 /nfs/dbraw/zinc/02/40/75/490024075.db2.gz HVMWYPRUTFCEEE-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000420814571 490024079 /nfs/dbraw/zinc/02/40/79/490024079.db2.gz HVMWYPRUTFCEEE-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP CCOC1CC(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)([NH+]2CCOCC2)C1 ZINC000420838369 490024531 /nfs/dbraw/zinc/02/45/31/490024531.db2.gz LDEYYJKTPNVWKE-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)([NH+]2CCOCC2)C1 ZINC000420838369 490024534 /nfs/dbraw/zinc/02/45/34/490024534.db2.gz LDEYYJKTPNVWKE-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000478543831 490024552 /nfs/dbraw/zinc/02/45/52/490024552.db2.gz QPGISYLOTRITDU-MRXNPFEDSA-N 2 2 367.538 0.119 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000478543831 490024554 /nfs/dbraw/zinc/02/45/54/490024554.db2.gz QPGISYLOTRITDU-MRXNPFEDSA-N 2 2 367.538 0.119 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556108492 491294826 /nfs/dbraw/zinc/29/48/26/491294826.db2.gz QJNLKBZPLUVUKO-OAHLLOKOSA-N 2 2 361.490 0.869 20 0 FCADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)CN1CCOCC1 ZINC000420919288 490032408 /nfs/dbraw/zinc/03/24/08/490032408.db2.gz YXIKQMWHSLHZPD-HXUWFJFHSA-N 2 2 363.502 0.644 20 0 FCADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)CN1CCOCC1 ZINC000420919288 490032410 /nfs/dbraw/zinc/03/24/10/490032410.db2.gz YXIKQMWHSLHZPD-HXUWFJFHSA-N 2 2 363.502 0.644 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438341949 490034554 /nfs/dbraw/zinc/03/45/54/490034554.db2.gz QBFAPYFYBWJICX-OAHLLOKOSA-N 2 2 352.483 1.067 20 0 FCADLP CNS(=O)(=O)N1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420958025 490036289 /nfs/dbraw/zinc/03/62/89/490036289.db2.gz DMELEJIGENZHOX-UHFFFAOYSA-N 2 2 368.503 0.101 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000378284457 490039647 /nfs/dbraw/zinc/03/96/47/490039647.db2.gz CDRFCDFPVJMINR-AWEZNQCLSA-N 2 2 360.458 0.750 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000378284457 490039652 /nfs/dbraw/zinc/03/96/52/490039652.db2.gz CDRFCDFPVJMINR-AWEZNQCLSA-N 2 2 360.458 0.750 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421224714 490059493 /nfs/dbraw/zinc/05/94/93/490059493.db2.gz LSNBAXOFHGIXPK-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421224714 490059494 /nfs/dbraw/zinc/05/94/94/490059494.db2.gz LSNBAXOFHGIXPK-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CCCCN(C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059294 490065825 /nfs/dbraw/zinc/06/58/25/490065825.db2.gz MHRHZQUVQGZMLK-HZPDHXFCSA-N 2 2 359.536 0.863 20 0 FCADLP CCCCN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059294 490065829 /nfs/dbraw/zinc/06/58/29/490065829.db2.gz MHRHZQUVQGZMLK-HZPDHXFCSA-N 2 2 359.536 0.863 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059881 490066039 /nfs/dbraw/zinc/06/60/39/490066039.db2.gz NRPHZUVCVJHLIY-HOTGVXAUSA-N 2 2 359.536 0.719 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059881 490066041 /nfs/dbraw/zinc/06/60/41/490066041.db2.gz NRPHZUVCVJHLIY-HOTGVXAUSA-N 2 2 359.536 0.719 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000378502297 490073973 /nfs/dbraw/zinc/07/39/73/490073973.db2.gz VXVNNVYQIHGUHU-NUJGCVRESA-N 2 2 368.547 0.930 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000378502297 490073976 /nfs/dbraw/zinc/07/39/76/490073976.db2.gz VXVNNVYQIHGUHU-NUJGCVRESA-N 2 2 368.547 0.930 20 0 FCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000444179659 490080044 /nfs/dbraw/zinc/08/00/44/490080044.db2.gz DGMJFNUIXLMHDC-KSSFIOAISA-N 2 2 365.478 0.686 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000465265616 490098103 /nfs/dbraw/zinc/09/81/03/490098103.db2.gz LNQXHTWZAAGHRH-KRWDZBQOSA-N 2 2 354.539 0.972 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000506525139 490101707 /nfs/dbraw/zinc/10/17/07/490101707.db2.gz QQCGVDSHJUHYCY-SFHVURJKSA-N 3 2 355.527 0.157 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000496246085 490109436 /nfs/dbraw/zinc/10/94/36/490109436.db2.gz OUAAPGNWCVLGBI-CQSZACIVSA-N 2 2 354.838 0.066 20 0 FCADLP C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000465358306 490111441 /nfs/dbraw/zinc/11/14/41/490111441.db2.gz MFIGWIFPXABZKM-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000520190254 490115761 /nfs/dbraw/zinc/11/57/61/490115761.db2.gz FEYQYEPYGWHBAG-UHFFFAOYSA-N 2 2 360.458 0.991 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000479757280 490122862 /nfs/dbraw/zinc/12/28/62/490122862.db2.gz SRDVFGGBTAKFDY-NZBPQXDJSA-N 2 2 366.487 0.051 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000479757280 490122869 /nfs/dbraw/zinc/12/28/69/490122869.db2.gz SRDVFGGBTAKFDY-NZBPQXDJSA-N 2 2 366.487 0.051 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000520259810 490124847 /nfs/dbraw/zinc/12/48/47/490124847.db2.gz QSBGYRNUVKHBTL-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)CC1 ZINC000422023512 490127498 /nfs/dbraw/zinc/12/74/98/490127498.db2.gz PNLZWYZMVLTMAR-LJQANCHMSA-N 3 2 363.550 0.395 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)CC1 ZINC000422023512 490127506 /nfs/dbraw/zinc/12/75/06/490127506.db2.gz PNLZWYZMVLTMAR-LJQANCHMSA-N 3 2 363.550 0.395 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000422023512 490127508 /nfs/dbraw/zinc/12/75/08/490127508.db2.gz PNLZWYZMVLTMAR-LJQANCHMSA-N 3 2 363.550 0.395 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000422023512 490127514 /nfs/dbraw/zinc/12/75/14/490127514.db2.gz PNLZWYZMVLTMAR-LJQANCHMSA-N 3 2 363.550 0.395 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341683 491301960 /nfs/dbraw/zinc/30/19/60/491301960.db2.gz PSEWXEQTZZDNKE-HKUYNNGSSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341683 491301963 /nfs/dbraw/zinc/30/19/63/491301963.db2.gz PSEWXEQTZZDNKE-HKUYNNGSSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341683 491301965 /nfs/dbraw/zinc/30/19/65/491301965.db2.gz PSEWXEQTZZDNKE-HKUYNNGSSA-N 2 2 350.459 0.742 20 0 FCADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc(Cl)c1OCC(N)=O ZINC000392629775 490153361 /nfs/dbraw/zinc/15/33/61/490153361.db2.gz XXYMHPVQDXTAFX-ZDUSSCGKSA-N 2 2 370.881 0.548 20 0 FCADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc(Cl)c1OCC(N)=O ZINC000392629775 490153369 /nfs/dbraw/zinc/15/33/69/490153369.db2.gz XXYMHPVQDXTAFX-ZDUSSCGKSA-N 2 2 370.881 0.548 20 0 FCADLP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000392668588 490153851 /nfs/dbraw/zinc/15/38/51/490153851.db2.gz XDHKGEWUAKCGNM-INIZCTEOSA-N 2 2 359.854 0.615 20 0 FCADLP CC(C)n1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000520491264 490155352 /nfs/dbraw/zinc/15/53/52/490155352.db2.gz DVAPFBPLKCOFRE-UHFFFAOYSA-N 2 2 364.494 0.887 20 0 FCADLP CC(C)n1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000520491264 490155361 /nfs/dbraw/zinc/15/53/61/490155361.db2.gz DVAPFBPLKCOFRE-UHFFFAOYSA-N 2 2 364.494 0.887 20 0 FCADLP C[C@](O)(CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000466025532 490160053 /nfs/dbraw/zinc/16/00/53/490160053.db2.gz ILAHWZRUARIURF-IBGZPJMESA-N 2 2 373.457 0.755 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000497471285 490166613 /nfs/dbraw/zinc/16/66/13/490166613.db2.gz WKBWBSKPLDEAMJ-INIZCTEOSA-N 2 2 367.538 0.960 20 0 FCADLP CCC[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000520586923 490168248 /nfs/dbraw/zinc/16/82/48/490168248.db2.gz OMMYHWZEJNXTIA-CQSZACIVSA-N 2 2 368.503 0.949 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000556354094 491310923 /nfs/dbraw/zinc/31/09/23/491310923.db2.gz WHEYSMFIXQKRQP-UHFFFAOYSA-N 2 2 361.490 0.619 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000556354094 491310924 /nfs/dbraw/zinc/31/09/24/491310924.db2.gz WHEYSMFIXQKRQP-UHFFFAOYSA-N 2 2 361.490 0.619 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556245607 491305706 /nfs/dbraw/zinc/30/57/06/491305706.db2.gz JHRNDVCDBIZKLU-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000556245607 491305707 /nfs/dbraw/zinc/30/57/07/491305707.db2.gz JHRNDVCDBIZKLU-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000497727499 490205114 /nfs/dbraw/zinc/20/51/14/490205114.db2.gz YBRPQMAFNQWZGH-CZUORRHYSA-N 2 2 353.488 0.311 20 0 FCADLP C[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000497727499 490205118 /nfs/dbraw/zinc/20/51/18/490205118.db2.gz YBRPQMAFNQWZGH-CZUORRHYSA-N 2 2 353.488 0.311 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000497749713 490209885 /nfs/dbraw/zinc/20/98/85/490209885.db2.gz GFJMUVVRDYTRRD-BJWYYQGGSA-N 2 2 370.490 0.898 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000497749713 490209891 /nfs/dbraw/zinc/20/98/91/490209891.db2.gz GFJMUVVRDYTRRD-BJWYYQGGSA-N 2 2 370.490 0.898 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000497749713 490209899 /nfs/dbraw/zinc/20/98/99/490209899.db2.gz GFJMUVVRDYTRRD-BJWYYQGGSA-N 2 2 370.490 0.898 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000497749713 490209907 /nfs/dbraw/zinc/20/99/07/490209907.db2.gz GFJMUVVRDYTRRD-BJWYYQGGSA-N 2 2 370.490 0.898 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769769 490211008 /nfs/dbraw/zinc/21/10/08/490211008.db2.gz ZAEBETLELKPYNT-WBVHZDCISA-N 2 2 363.506 0.419 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769769 490211013 /nfs/dbraw/zinc/21/10/13/490211013.db2.gz ZAEBETLELKPYNT-WBVHZDCISA-N 2 2 363.506 0.419 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000521068337 490220653 /nfs/dbraw/zinc/22/06/53/490220653.db2.gz VCUOZVLCOOKMMQ-UHFFFAOYSA-N 2 2 370.417 0.508 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000556314964 491309472 /nfs/dbraw/zinc/30/94/72/491309472.db2.gz ZEFIQQNKBUFADV-OAHLLOKOSA-N 2 2 366.425 0.949 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000447435937 490235723 /nfs/dbraw/zinc/23/57/23/490235723.db2.gz SDRIFDXYHALLLU-MRXNPFEDSA-N 2 2 354.495 0.191 20 0 FCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201654 490236409 /nfs/dbraw/zinc/23/64/09/490236409.db2.gz NQGCWUWDMRCZMF-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201654 490236411 /nfs/dbraw/zinc/23/64/11/490236411.db2.gz NQGCWUWDMRCZMF-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000497983273 490243979 /nfs/dbraw/zinc/24/39/79/490243979.db2.gz PNVIDMWEDBNIQE-UHFFFAOYSA-N 2 2 355.508 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000422311413 490249604 /nfs/dbraw/zinc/24/96/04/490249604.db2.gz YJGLFBFOVBXXOL-HNNXBMFYSA-N 2 2 355.442 0.769 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000422311413 490249610 /nfs/dbraw/zinc/24/96/10/490249610.db2.gz YJGLFBFOVBXXOL-HNNXBMFYSA-N 2 2 355.442 0.769 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521379258 490255101 /nfs/dbraw/zinc/25/51/01/490255101.db2.gz KXVUKIDFCUOOSB-LJQANCHMSA-N 2 2 374.533 0.354 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521379258 490255113 /nfs/dbraw/zinc/25/51/13/490255113.db2.gz KXVUKIDFCUOOSB-LJQANCHMSA-N 2 2 374.533 0.354 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)no1 ZINC000447671102 490257620 /nfs/dbraw/zinc/25/76/20/490257620.db2.gz LPQAJJAIVRWASZ-UHFFFAOYSA-N 2 2 357.414 0.832 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)no1 ZINC000447671102 490257625 /nfs/dbraw/zinc/25/76/25/490257625.db2.gz LPQAJJAIVRWASZ-UHFFFAOYSA-N 2 2 357.414 0.832 20 0 FCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498165372 490266802 /nfs/dbraw/zinc/26/68/02/490266802.db2.gz HXDKJJSWNUARBU-DGFSRKRXSA-N 2 2 356.829 0.791 20 0 FCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498165372 490266806 /nfs/dbraw/zinc/26/68/06/490266806.db2.gz HXDKJJSWNUARBU-DGFSRKRXSA-N 2 2 356.829 0.791 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000422360231 490277494 /nfs/dbraw/zinc/27/74/94/490277494.db2.gz FKSJYLUPPVFAHP-HNNXBMFYSA-N 2 2 359.474 0.767 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000422360231 490277502 /nfs/dbraw/zinc/27/75/02/490277502.db2.gz FKSJYLUPPVFAHP-HNNXBMFYSA-N 2 2 359.474 0.767 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000547329971 490279203 /nfs/dbraw/zinc/27/92/03/490279203.db2.gz RLHVFECRJIWPJW-AWEZNQCLSA-N 2 2 361.508 0.275 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346093 490280146 /nfs/dbraw/zinc/28/01/46/490280146.db2.gz VFVCEIALZYMXNI-BPQIPLTHSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346093 490280149 /nfs/dbraw/zinc/28/01/49/490280149.db2.gz VFVCEIALZYMXNI-BPQIPLTHSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000547346093 490280154 /nfs/dbraw/zinc/28/01/54/490280154.db2.gz VFVCEIALZYMXNI-BPQIPLTHSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000547346093 490280163 /nfs/dbraw/zinc/28/01/63/490280163.db2.gz VFVCEIALZYMXNI-BPQIPLTHSA-N 2 2 373.501 0.769 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000447901555 490284986 /nfs/dbraw/zinc/28/49/86/490284986.db2.gz CHIOXGLCRBRAOZ-HZPDHXFCSA-N 2 2 353.488 0.522 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000408245478 490286197 /nfs/dbraw/zinc/28/61/97/490286197.db2.gz VTXGLQRPMGBRKV-UHFFFAOYSA-N 2 2 359.536 0.989 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571541217 491314831 /nfs/dbraw/zinc/31/48/31/491314831.db2.gz YWASZWFPGWVCFM-LZLYRXPVSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571541217 491314833 /nfs/dbraw/zinc/31/48/33/491314833.db2.gz YWASZWFPGWVCFM-LZLYRXPVSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000483273517 490299579 /nfs/dbraw/zinc/29/95/79/490299579.db2.gz ULTYITMZKJCEQD-QGZVFWFLSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000483273517 490299588 /nfs/dbraw/zinc/29/95/88/490299588.db2.gz ULTYITMZKJCEQD-QGZVFWFLSA-N 2 2 350.488 0.590 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1c[nH+]c2cccc(C)n12 ZINC000467515765 490305752 /nfs/dbraw/zinc/30/57/52/490305752.db2.gz ACXNGXHABIMELH-UHFFFAOYSA-N 2 2 359.474 0.865 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483397044 490314035 /nfs/dbraw/zinc/31/40/35/490314035.db2.gz FIIRLYWVCLXMSG-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483397044 490314037 /nfs/dbraw/zinc/31/40/37/490314037.db2.gz FIIRLYWVCLXMSG-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000521998598 490323731 /nfs/dbraw/zinc/32/37/31/490323731.db2.gz NDJIMBRHJKAMSW-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1ncccc1O ZINC000508409117 490326901 /nfs/dbraw/zinc/32/69/01/490326901.db2.gz VSKHAKOYVAYVHY-UHFFFAOYSA-N 2 2 363.462 0.001 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1ncccc1O ZINC000508409117 490326909 /nfs/dbraw/zinc/32/69/09/490326909.db2.gz VSKHAKOYVAYVHY-UHFFFAOYSA-N 2 2 363.462 0.001 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@@H](C)O1 ZINC000467694729 490330359 /nfs/dbraw/zinc/33/03/59/490330359.db2.gz PEXFFHZLTDIBCK-DEFDSWJHSA-N 2 2 363.502 0.901 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467688744 490330400 /nfs/dbraw/zinc/33/04/00/490330400.db2.gz NJJIUPDASOZNOJ-MUSFGAPCSA-N 2 2 367.515 0.125 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)[NH+]1CCOCC1 ZINC000467690398 490330445 /nfs/dbraw/zinc/33/04/45/490330445.db2.gz DYRYICZVQVTXNW-HMQMGEFJSA-N 2 2 351.491 0.664 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467694732 490330528 /nfs/dbraw/zinc/33/05/28/490330528.db2.gz PEXFFHZLTDIBCK-HMQBUONMSA-N 2 2 363.502 0.901 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467694732 490330532 /nfs/dbraw/zinc/33/05/32/490330532.db2.gz PEXFFHZLTDIBCK-HMQBUONMSA-N 2 2 363.502 0.901 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522189813 490351428 /nfs/dbraw/zinc/35/14/28/490351428.db2.gz MTDFADADUVWFQB-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000448474339 490352509 /nfs/dbraw/zinc/35/25/09/490352509.db2.gz VUVRFKUVPZOTMW-MRXNPFEDSA-N 2 2 367.538 0.946 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000448474339 490352515 /nfs/dbraw/zinc/35/25/15/490352515.db2.gz VUVRFKUVPZOTMW-MRXNPFEDSA-N 2 2 367.538 0.946 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000422492157 490356323 /nfs/dbraw/zinc/35/63/23/490356323.db2.gz OSLKMYMKFTTZCW-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000422492157 490356327 /nfs/dbraw/zinc/35/63/27/490356327.db2.gz OSLKMYMKFTTZCW-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](O)C[C@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468090419 490365558 /nfs/dbraw/zinc/36/55/58/490365558.db2.gz UTLIYHQVYRDVRJ-YJBOKZPZSA-N 2 2 368.522 0.726 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483986599 490366609 /nfs/dbraw/zinc/36/66/09/490366609.db2.gz WSQABSZPEHSIJH-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483986599 490366613 /nfs/dbraw/zinc/36/66/13/490366613.db2.gz WSQABSZPEHSIJH-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507871 490369871 /nfs/dbraw/zinc/36/98/71/490369871.db2.gz IQPGHWOMTKCQHR-ZIAGYGMSSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507871 490369873 /nfs/dbraw/zinc/36/98/73/490369873.db2.gz IQPGHWOMTKCQHR-ZIAGYGMSSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000509055805 490385166 /nfs/dbraw/zinc/38/51/66/490385166.db2.gz MMHUPBZKFQBTLE-QAPCUYQASA-N 2 2 359.470 0.578 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000509055805 490385169 /nfs/dbraw/zinc/38/51/69/490385169.db2.gz MMHUPBZKFQBTLE-QAPCUYQASA-N 2 2 359.470 0.578 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000509080585 490386958 /nfs/dbraw/zinc/38/69/58/490386958.db2.gz GNQRPZZKJNXFDK-GPMSIDNRSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000509080585 490386966 /nfs/dbraw/zinc/38/69/66/490386966.db2.gz GNQRPZZKJNXFDK-GPMSIDNRSA-N 2 2 361.486 0.836 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000484184845 490394223 /nfs/dbraw/zinc/39/42/23/490394223.db2.gz BRXYMOKAFZJZMW-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000484184845 490394230 /nfs/dbraw/zinc/39/42/30/490394230.db2.gz BRXYMOKAFZJZMW-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1cc(C)c(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000411165529 490399680 /nfs/dbraw/zinc/39/96/80/490399680.db2.gz PPZMNRDYGCYING-UHFFFAOYSA-N 2 2 361.446 0.226 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000534718400 490401400 /nfs/dbraw/zinc/40/14/00/490401400.db2.gz XBBBMXCZJFNJDK-KRWDZBQOSA-N 2 2 365.522 0.809 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCN2C1=O ZINC000564739799 491323962 /nfs/dbraw/zinc/32/39/62/491323962.db2.gz HCEKSUWCSFHQLD-CABCVRRESA-N 2 2 358.446 0.135 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCN4C(=O)CC[C@@H]4C3)CC2)c1 ZINC000499257972 490404402 /nfs/dbraw/zinc/40/44/02/490404402.db2.gz XBYLHNVLVHTSRK-LJQANCHMSA-N 2 2 370.497 0.946 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCN4C(=O)CC[C@@H]4C3)CC2)c1 ZINC000499257972 490404404 /nfs/dbraw/zinc/40/44/04/490404404.db2.gz XBYLHNVLVHTSRK-LJQANCHMSA-N 2 2 370.497 0.946 20 0 FCADLP C[N@H+](CCC(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000548065252 490415758 /nfs/dbraw/zinc/41/57/58/490415758.db2.gz QZUHONRPFWEOGJ-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP C[N@@H+](CCC(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000548065252 490415763 /nfs/dbraw/zinc/41/57/63/490415763.db2.gz QZUHONRPFWEOGJ-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723286 491325191 /nfs/dbraw/zinc/32/51/91/491325191.db2.gz FJYCDODNBZZQOC-INIZCTEOSA-N 2 2 355.504 0.835 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723286 491325193 /nfs/dbraw/zinc/32/51/93/491325193.db2.gz FJYCDODNBZZQOC-INIZCTEOSA-N 2 2 355.504 0.835 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723286 491325194 /nfs/dbraw/zinc/32/51/94/491325194.db2.gz FJYCDODNBZZQOC-INIZCTEOSA-N 2 2 355.504 0.835 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000548193914 490434442 /nfs/dbraw/zinc/43/44/42/490434442.db2.gz FWJCQVNUSGNEMB-MRXNPFEDSA-N 2 2 365.522 0.524 20 0 FCADLP C[N@H+](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCSC1 ZINC000535004584 490434954 /nfs/dbraw/zinc/43/49/54/490434954.db2.gz RSQQRBOCYNPDPE-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP C[N@@H+](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCSC1 ZINC000535004584 490434961 /nfs/dbraw/zinc/43/49/61/490434961.db2.gz RSQQRBOCYNPDPE-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468792452 490448824 /nfs/dbraw/zinc/44/88/24/490448824.db2.gz BXEZNWCGEOBEDL-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468792452 490448832 /nfs/dbraw/zinc/44/88/32/490448832.db2.gz BXEZNWCGEOBEDL-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484628578 490449477 /nfs/dbraw/zinc/44/94/77/490449477.db2.gz MWUAFXNGUDVGER-IRXDYDNUSA-N 2 2 362.474 0.904 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)[NH+](CC)CC ZINC000468891727 490460243 /nfs/dbraw/zinc/46/02/43/490460243.db2.gz GTBZRMPPRABIBW-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP O=C1CCCN1CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523452254 490466857 /nfs/dbraw/zinc/46/68/57/490466857.db2.gz GIIHIRVFXVJJIZ-UHFFFAOYSA-N 2 2 374.489 0.448 20 0 FCADLP COCC[C@@H](CCCC(=O)N1CC[NH+](C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC000499903974 490467480 /nfs/dbraw/zinc/46/74/80/490467480.db2.gz LIOAAFCQNCCZHF-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP NC(=O)NC(=O)CC[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000571790542 491329207 /nfs/dbraw/zinc/32/92/07/491329207.db2.gz UHQXUCTXEYVEBN-UHFFFAOYSA-N 2 2 350.419 0.072 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484907605 490477645 /nfs/dbraw/zinc/47/76/45/490477645.db2.gz PVPGBRBXNBQXMT-ZIAGYGMSSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484907605 490477651 /nfs/dbraw/zinc/47/76/51/490477651.db2.gz PVPGBRBXNBQXMT-ZIAGYGMSSA-N 2 2 352.504 0.882 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906167 490477787 /nfs/dbraw/zinc/47/77/87/490477787.db2.gz MTGROGNVMYUOPB-STQMWFEESA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906167 490477796 /nfs/dbraw/zinc/47/77/96/490477796.db2.gz MTGROGNVMYUOPB-STQMWFEESA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906160 490478067 /nfs/dbraw/zinc/47/80/67/490478067.db2.gz MTGROGNVMYUOPB-OLZOCXBDSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906160 490478072 /nfs/dbraw/zinc/47/80/72/490478072.db2.gz MTGROGNVMYUOPB-OLZOCXBDSA-N 2 2 354.476 0.545 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000484919631 490479408 /nfs/dbraw/zinc/47/94/08/490479408.db2.gz UUAPTKVTOTUOCW-OLZOCXBDSA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000484919631 490479412 /nfs/dbraw/zinc/47/94/12/490479412.db2.gz UUAPTKVTOTUOCW-OLZOCXBDSA-N 2 2 354.476 0.558 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843319 490485548 /nfs/dbraw/zinc/48/55/48/490485548.db2.gz HVIUIAJPOVOKAB-ZWKOTPCHSA-N 3 2 361.490 0.477 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422864711 490488194 /nfs/dbraw/zinc/48/81/94/490488194.db2.gz NTVDMQQVLCAHRS-UKRRQHHQSA-N 2 2 353.488 0.879 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996972 490488906 /nfs/dbraw/zinc/48/89/06/490488906.db2.gz QTNDGKPUZPHAMP-KGLIPLIRSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996972 490488910 /nfs/dbraw/zinc/48/89/10/490488910.db2.gz QTNDGKPUZPHAMP-KGLIPLIRSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996974 490489168 /nfs/dbraw/zinc/48/91/68/490489168.db2.gz QTNDGKPUZPHAMP-ZIAGYGMSSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996974 490489170 /nfs/dbraw/zinc/48/91/70/490489170.db2.gz QTNDGKPUZPHAMP-ZIAGYGMSSA-N 2 2 368.503 0.853 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422871657 490489721 /nfs/dbraw/zinc/48/97/21/490489721.db2.gz ZKGCGXHRQSFZDR-HOTGVXAUSA-N 2 2 359.474 0.754 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC[NH+](C)CCOC)CC1 ZINC000524035441 490512629 /nfs/dbraw/zinc/51/26/29/490512629.db2.gz OSDVQVBJVFYHJP-UHFFFAOYSA-N 2 2 371.526 0.150 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC[NH+](C)CCOC)CC1 ZINC000524035441 490512636 /nfs/dbraw/zinc/51/26/36/490512636.db2.gz OSDVQVBJVFYHJP-UHFFFAOYSA-N 2 2 371.526 0.150 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000524035441 490512640 /nfs/dbraw/zinc/51/26/40/490512640.db2.gz OSDVQVBJVFYHJP-UHFFFAOYSA-N 2 2 371.526 0.150 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000524035441 490512646 /nfs/dbraw/zinc/51/26/46/490512646.db2.gz OSDVQVBJVFYHJP-UHFFFAOYSA-N 2 2 371.526 0.150 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000423015103 490518558 /nfs/dbraw/zinc/51/85/58/490518558.db2.gz QLCIYIGMDOUUBM-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000423013212 490519779 /nfs/dbraw/zinc/51/97/79/490519779.db2.gz FKSHCDALRWGNDH-GJZGRUSLSA-N 2 2 364.515 0.836 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413921667 490519743 /nfs/dbraw/zinc/51/97/43/490519743.db2.gz OPTUKASITNTQHF-YYIAUSFCSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413921667 490519747 /nfs/dbraw/zinc/51/97/47/490519747.db2.gz OPTUKASITNTQHF-YYIAUSFCSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413921667 490519753 /nfs/dbraw/zinc/51/97/53/490519753.db2.gz OPTUKASITNTQHF-YYIAUSFCSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413921667 490519757 /nfs/dbraw/zinc/51/97/57/490519757.db2.gz OPTUKASITNTQHF-YYIAUSFCSA-N 2 2 369.506 0.683 20 0 FCADLP CCN1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548673964 490526841 /nfs/dbraw/zinc/52/68/41/490526841.db2.gz KVAZJEPPDJRLNX-CQSZACIVSA-N 2 2 360.466 0.798 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423042657 490528503 /nfs/dbraw/zinc/52/85/03/490528503.db2.gz ZWBKSDJNAGJGDC-HNNXBMFYSA-N 2 2 362.449 0.680 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423042657 490528505 /nfs/dbraw/zinc/52/85/05/490528505.db2.gz ZWBKSDJNAGJGDC-HNNXBMFYSA-N 2 2 362.449 0.680 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423058215 490531546 /nfs/dbraw/zinc/53/15/46/490531546.db2.gz BPZPDXYNEDOQSL-HZPDHXFCSA-N 2 2 364.490 0.988 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000423062461 490533952 /nfs/dbraw/zinc/53/39/52/490533952.db2.gz TXXQZMOGYQKDCL-UHFFFAOYSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000571866879 491334094 /nfs/dbraw/zinc/33/40/94/491334094.db2.gz RVENZHWAQJCLFO-LBPRGKRZSA-N 2 2 350.850 0.633 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000535994270 490545145 /nfs/dbraw/zinc/54/51/45/490545145.db2.gz QBPIYBVQEXESTE-ZDUSSCGKSA-N 2 2 365.397 0.955 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000524598323 490545641 /nfs/dbraw/zinc/54/56/41/490545641.db2.gz PZZYCEHQQIHAJC-NVXWUHKLSA-N 2 2 372.535 0.214 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000524598323 490545646 /nfs/dbraw/zinc/54/56/46/490545646.db2.gz PZZYCEHQQIHAJC-NVXWUHKLSA-N 2 2 372.535 0.214 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000485589916 490546934 /nfs/dbraw/zinc/54/69/34/490546934.db2.gz HGYOYWZFDPHDMD-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000485589916 490546938 /nfs/dbraw/zinc/54/69/38/490546938.db2.gz HGYOYWZFDPHDMD-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000485631945 490550959 /nfs/dbraw/zinc/55/09/59/490550959.db2.gz WYUSKJVQAHHTQD-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000485631945 490550962 /nfs/dbraw/zinc/55/09/62/490550962.db2.gz WYUSKJVQAHHTQD-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063747 490557989 /nfs/dbraw/zinc/55/79/89/490557989.db2.gz IKUZTUJXWMKCTE-CVEARBPZSA-N 2 2 374.551 0.142 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063747 490557993 /nfs/dbraw/zinc/55/79/93/490557993.db2.gz IKUZTUJXWMKCTE-CVEARBPZSA-N 2 2 374.551 0.142 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000485808495 490560115 /nfs/dbraw/zinc/56/01/15/490560115.db2.gz AHEHILWDRBRSKI-HOTGVXAUSA-N 2 2 364.494 0.679 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000564922410 491337099 /nfs/dbraw/zinc/33/70/99/491337099.db2.gz GRPFLTKEPATLBH-GVDBMIGSSA-N 2 2 368.522 0.579 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000549985305 490617088 /nfs/dbraw/zinc/61/70/88/490617088.db2.gz HZBCPLSKYARALQ-YOEHRIQHSA-N 2 2 374.485 0.767 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000549985305 490617094 /nfs/dbraw/zinc/61/70/94/490617094.db2.gz HZBCPLSKYARALQ-YOEHRIQHSA-N 2 2 374.485 0.767 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000549984634 490617880 /nfs/dbraw/zinc/61/78/80/490617880.db2.gz DKOCUEMCCGHNQK-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083147 490623234 /nfs/dbraw/zinc/62/32/34/490623234.db2.gz URNKKCBWABVTRL-DOTOQJQBSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083147 490623236 /nfs/dbraw/zinc/62/32/36/490623236.db2.gz URNKKCBWABVTRL-DOTOQJQBSA-N 2 2 355.442 0.951 20 0 FCADLP O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486431996 490623987 /nfs/dbraw/zinc/62/39/87/490623987.db2.gz FFTHBONPSOBFSX-IEBWSBKVSA-N 2 2 356.470 0.903 20 0 FCADLP O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486431996 490623990 /nfs/dbraw/zinc/62/39/90/490623990.db2.gz FFTHBONPSOBFSX-IEBWSBKVSA-N 2 2 356.470 0.903 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486437634 490624777 /nfs/dbraw/zinc/62/47/77/490624777.db2.gz OJNRTLUCJBJYJK-CABCVRRESA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486437634 490624782 /nfs/dbraw/zinc/62/47/82/490624782.db2.gz OJNRTLUCJBJYJK-CABCVRRESA-N 2 2 362.478 0.687 20 0 FCADLP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486434256 490625422 /nfs/dbraw/zinc/62/54/22/490625422.db2.gz INPPFPWTSIYTNK-MRXNPFEDSA-N 2 2 360.458 0.920 20 0 FCADLP COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486434256 490625427 /nfs/dbraw/zinc/62/54/27/490625427.db2.gz INPPFPWTSIYTNK-MRXNPFEDSA-N 2 2 360.458 0.920 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634331 490627394 /nfs/dbraw/zinc/62/73/94/490627394.db2.gz CSVRZGWRGBBFFW-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634331 490627396 /nfs/dbraw/zinc/62/73/96/490627396.db2.gz CSVRZGWRGBBFFW-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501634331 490627398 /nfs/dbraw/zinc/62/73/98/490627398.db2.gz CSVRZGWRGBBFFW-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501634331 490627403 /nfs/dbraw/zinc/62/74/03/490627403.db2.gz CSVRZGWRGBBFFW-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1cc(F)cc(F)c1 ZINC000486453362 490628766 /nfs/dbraw/zinc/62/87/66/490628766.db2.gz FNDAJTMKLIJRRM-OAHLLOKOSA-N 2 2 352.385 0.800 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1cc(F)cc(F)c1 ZINC000486453362 490628769 /nfs/dbraw/zinc/62/87/69/490628769.db2.gz FNDAJTMKLIJRRM-OAHLLOKOSA-N 2 2 352.385 0.800 20 0 FCADLP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486452503 490628788 /nfs/dbraw/zinc/62/87/88/490628788.db2.gz PTTVXBZIHNAOLX-GJZGRUSLSA-N 2 2 364.515 0.692 20 0 FCADLP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486452503 490628792 /nfs/dbraw/zinc/62/87/92/490628792.db2.gz PTTVXBZIHNAOLX-GJZGRUSLSA-N 2 2 364.515 0.692 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454855 490630096 /nfs/dbraw/zinc/63/00/96/490630096.db2.gz AWYVQHAMMBBBRK-HIFRSBDPSA-N 2 2 374.441 0.639 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454855 490630100 /nfs/dbraw/zinc/63/01/00/490630100.db2.gz AWYVQHAMMBBBRK-HIFRSBDPSA-N 2 2 374.441 0.639 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCCO2 ZINC000486454050 490630619 /nfs/dbraw/zinc/63/06/19/490630619.db2.gz XILRFUXTIVIQFV-HNNXBMFYSA-N 2 2 374.441 0.293 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCCO2 ZINC000486454050 490630623 /nfs/dbraw/zinc/63/06/23/490630623.db2.gz XILRFUXTIVIQFV-HNNXBMFYSA-N 2 2 374.441 0.293 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000550150426 490630902 /nfs/dbraw/zinc/63/09/02/490630902.db2.gz LLBOZYKFFWWEQF-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000550150426 490630911 /nfs/dbraw/zinc/63/09/11/490630911.db2.gz LLBOZYKFFWWEQF-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458633 490631424 /nfs/dbraw/zinc/63/14/24/490631424.db2.gz SBQYUDKUZDALMN-RDJZCZTQSA-N 2 2 372.469 0.697 20 0 FCADLP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458633 490631429 /nfs/dbraw/zinc/63/14/29/490631429.db2.gz SBQYUDKUZDALMN-RDJZCZTQSA-N 2 2 372.469 0.697 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454464 490631496 /nfs/dbraw/zinc/63/14/96/490631496.db2.gz YQSPFLAHGQHGHA-TWMKSMIVSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454464 490631499 /nfs/dbraw/zinc/63/14/99/490631499.db2.gz YQSPFLAHGQHGHA-TWMKSMIVSA-N 2 2 350.507 0.966 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCC1(c2ccccc2)CC1 ZINC000486456117 490631641 /nfs/dbraw/zinc/63/16/41/490631641.db2.gz DGMTURHBQGYGBS-GOSISDBHSA-N 2 2 370.497 0.731 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCC1(c2ccccc2)CC1 ZINC000486456117 490631646 /nfs/dbraw/zinc/63/16/46/490631646.db2.gz DGMTURHBQGYGBS-GOSISDBHSA-N 2 2 370.497 0.731 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460847 490633628 /nfs/dbraw/zinc/63/36/28/490633628.db2.gz BGSRMDCZRDMNIZ-HOTGVXAUSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460847 490633633 /nfs/dbraw/zinc/63/36/33/490633633.db2.gz BGSRMDCZRDMNIZ-HOTGVXAUSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486466099 490635272 /nfs/dbraw/zinc/63/52/72/490635272.db2.gz HQKMTXNVIDDGPB-CJNGLKHVSA-N 2 2 373.457 0.009 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486466099 490635278 /nfs/dbraw/zinc/63/52/78/490635278.db2.gz HQKMTXNVIDDGPB-CJNGLKHVSA-N 2 2 373.457 0.009 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486463007 490635624 /nfs/dbraw/zinc/63/56/24/490635624.db2.gz RFKXRLUKFWWXRK-WBVHZDCISA-N 2 2 356.470 0.860 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486463007 490635625 /nfs/dbraw/zinc/63/56/25/490635625.db2.gz RFKXRLUKFWWXRK-WBVHZDCISA-N 2 2 356.470 0.860 20 0 FCADLP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc(=O)n2c1 ZINC000486469229 490637061 /nfs/dbraw/zinc/63/70/61/490637061.db2.gz NSGHQJKZQOQMAE-MRXNPFEDSA-N 2 2 355.442 0.399 20 0 FCADLP Cc1ccc2nc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc(=O)n2c1 ZINC000486469229 490637065 /nfs/dbraw/zinc/63/70/65/490637065.db2.gz NSGHQJKZQOQMAE-MRXNPFEDSA-N 2 2 355.442 0.399 20 0 FCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486470350 490637451 /nfs/dbraw/zinc/63/74/51/490637451.db2.gz PTLUAJNFHNQRNW-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486470350 490637455 /nfs/dbraw/zinc/63/74/55/490637455.db2.gz PTLUAJNFHNQRNW-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001200 491342144 /nfs/dbraw/zinc/34/21/44/491342144.db2.gz BEWWFQKTKXAEDV-MOPGFXCFSA-N 3 2 359.518 0.385 20 0 FCADLP COc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1OCCO ZINC000537075141 490645190 /nfs/dbraw/zinc/64/51/90/490645190.db2.gz IJSXXJHHHWUJBP-AWEZNQCLSA-N 2 2 351.447 0.491 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277361 490651716 /nfs/dbraw/zinc/65/17/16/490651716.db2.gz LYAUJTLPZNIQFJ-WBVHZDCISA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277361 490651723 /nfs/dbraw/zinc/65/17/23/490651723.db2.gz LYAUJTLPZNIQFJ-WBVHZDCISA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000550360804 490664421 /nfs/dbraw/zinc/66/44/21/490664421.db2.gz KRJUXXQLYGOKQG-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP NC(=O)[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000512240457 490666751 /nfs/dbraw/zinc/66/67/51/490666751.db2.gz AUPBREVYUZTRTI-QGZVFWFLSA-N 2 2 352.454 0.332 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000526981307 490690259 /nfs/dbraw/zinc/69/02/59/490690259.db2.gz OIQRBIWCCZEEPJ-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000526981307 490690262 /nfs/dbraw/zinc/69/02/62/490690262.db2.gz OIQRBIWCCZEEPJ-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991238 491347152 /nfs/dbraw/zinc/34/71/52/491347152.db2.gz XZWHTUZLAHLMTM-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991238 491347153 /nfs/dbraw/zinc/34/71/53/491347153.db2.gz XZWHTUZLAHLMTM-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000556991238 491347156 /nfs/dbraw/zinc/34/71/56/491347156.db2.gz XZWHTUZLAHLMTM-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000556991238 491347157 /nfs/dbraw/zinc/34/71/57/491347157.db2.gz XZWHTUZLAHLMTM-NVXWUHKLSA-N 2 2 367.490 0.631 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512820557 490701079 /nfs/dbraw/zinc/70/10/79/490701079.db2.gz MPUFWJAMGMELRB-UHFFFAOYSA-N 2 2 369.554 0.360 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)ccc2n1C ZINC000527137510 490702874 /nfs/dbraw/zinc/70/28/74/490702874.db2.gz SYHPDETXCPUSHZ-UHFFFAOYSA-N 2 2 369.429 0.936 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000527156589 490704651 /nfs/dbraw/zinc/70/46/51/490704651.db2.gz MDVYRHHVSFSDFS-ZNMIVQPWSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000527156589 490704653 /nfs/dbraw/zinc/70/46/53/490704653.db2.gz MDVYRHHVSFSDFS-ZNMIVQPWSA-N 2 2 352.458 0.726 20 0 FCADLP CCC(=O)N1CCC[NH+](CC(O)C[N@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000572103690 491348584 /nfs/dbraw/zinc/34/85/84/491348584.db2.gz JZBSYHOXNHZHPX-UHFFFAOYSA-N 2 2 368.522 0.236 20 0 FCADLP CCC(=O)N1CCC[NH+](CC(O)C[N@@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000572103690 491348587 /nfs/dbraw/zinc/34/85/87/491348587.db2.gz JZBSYHOXNHZHPX-UHFFFAOYSA-N 2 2 368.522 0.236 20 0 FCADLP CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000513179431 490713228 /nfs/dbraw/zinc/71/32/28/490713228.db2.gz XYFLWSYTHHIGFO-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000513179431 490713231 /nfs/dbraw/zinc/71/32/31/490713231.db2.gz XYFLWSYTHHIGFO-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486988 490715729 /nfs/dbraw/zinc/71/57/29/490715729.db2.gz HEZQGADZQKXPCV-OAGGEKHMSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486988 490715731 /nfs/dbraw/zinc/71/57/31/490715731.db2.gz HEZQGADZQKXPCV-OAGGEKHMSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486988 490715735 /nfs/dbraw/zinc/71/57/35/490715735.db2.gz HEZQGADZQKXPCV-OAGGEKHMSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486988 490715741 /nfs/dbraw/zinc/71/57/41/490715741.db2.gz HEZQGADZQKXPCV-OAGGEKHMSA-N 2 2 369.506 0.685 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000487671604 490724198 /nfs/dbraw/zinc/72/41/98/490724198.db2.gz GKSPGCNHRIRVCD-UHFFFAOYSA-N 2 2 364.494 0.857 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469038 490731786 /nfs/dbraw/zinc/73/17/86/490731786.db2.gz MIWMIIZOEUNPMX-OWCLPIDISA-N 2 2 370.538 0.647 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469038 490731790 /nfs/dbraw/zinc/73/17/90/490731790.db2.gz MIWMIIZOEUNPMX-OWCLPIDISA-N 2 2 370.538 0.647 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000513469682 490732010 /nfs/dbraw/zinc/73/20/10/490732010.db2.gz RKGCAIOGRNNJSY-HNNXBMFYSA-N 2 2 361.490 0.823 20 0 FCADLP Cc1cc(C[NH+]2CCN(C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)on1 ZINC000513485255 490734317 /nfs/dbraw/zinc/73/43/17/490734317.db2.gz OZYMYTSHEJZRHN-ULQDDVLXSA-N 2 2 352.479 0.571 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000503009303 490735358 /nfs/dbraw/zinc/73/53/58/490735358.db2.gz NNGWELIYERXYPB-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000503009303 490735359 /nfs/dbraw/zinc/73/53/59/490735359.db2.gz NNGWELIYERXYPB-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000503063692 490737704 /nfs/dbraw/zinc/73/77/04/490737704.db2.gz USDXSIXWYIZXLX-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000503063692 490737707 /nfs/dbraw/zinc/73/77/07/490737707.db2.gz USDXSIXWYIZXLX-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1OC ZINC000487962296 490739485 /nfs/dbraw/zinc/73/94/85/490739485.db2.gz YAICLISPPZSIBA-IYBDPMFKSA-N 2 2 353.488 0.738 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1OC ZINC000487962296 490739486 /nfs/dbraw/zinc/73/94/86/490739486.db2.gz YAICLISPPZSIBA-IYBDPMFKSA-N 2 2 353.488 0.738 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000538682762 490743762 /nfs/dbraw/zinc/74/37/62/490743762.db2.gz YRKHDFHJYXNVSH-CQSZACIVSA-N 2 2 373.505 0.790 20 0 FCADLP CCOC[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000527723506 490755074 /nfs/dbraw/zinc/75/50/74/490755074.db2.gz BMFRKNYPLDDLTH-GOSISDBHSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000527769241 490758737 /nfs/dbraw/zinc/75/87/37/490758737.db2.gz YTHSCKNRLUGTRE-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP Cc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000514082795 490761039 /nfs/dbraw/zinc/76/10/39/490761039.db2.gz JUIFKZVHXLHEMB-UHFFFAOYSA-N 2 2 358.486 0.917 20 0 FCADLP COc1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1S(N)(=O)=O ZINC000539065893 490762929 /nfs/dbraw/zinc/76/29/29/490762929.db2.gz KXJHCZKSQWLGQO-WFASDCNBSA-N 2 2 353.488 0.957 20 0 FCADLP COc1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1S(N)(=O)=O ZINC000539065893 490762934 /nfs/dbraw/zinc/76/29/34/490762934.db2.gz KXJHCZKSQWLGQO-WFASDCNBSA-N 2 2 353.488 0.957 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)NCC[NH+]2CCC2)c1)[NH+]1CCOCC1 ZINC000503610410 490766667 /nfs/dbraw/zinc/76/66/67/490766667.db2.gz AOKNBYSRAVCWQQ-HNNXBMFYSA-N 2 2 360.458 0.840 20 0 FCADLP COCCn1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000539232481 490772258 /nfs/dbraw/zinc/77/22/58/490772258.db2.gz JYXMZDYGUUSSAC-UHFFFAOYSA-N 2 2 373.523 0.176 20 0 FCADLP COCCn1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000539232481 490772261 /nfs/dbraw/zinc/77/22/61/490772261.db2.gz JYXMZDYGUUSSAC-UHFFFAOYSA-N 2 2 373.523 0.176 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000572175953 491354253 /nfs/dbraw/zinc/35/42/53/491354253.db2.gz YGNFGWDRECUBML-GOSISDBHSA-N 2 2 365.474 0.982 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000572175953 491354255 /nfs/dbraw/zinc/35/42/55/491354255.db2.gz YGNFGWDRECUBML-GOSISDBHSA-N 2 2 365.474 0.982 20 0 FCADLP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748657 490774074 /nfs/dbraw/zinc/77/40/74/490774074.db2.gz QMDCZDHUOPBPFU-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748657 490774077 /nfs/dbraw/zinc/77/40/77/490774077.db2.gz QMDCZDHUOPBPFU-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851631 490778926 /nfs/dbraw/zinc/77/89/26/490778926.db2.gz JIZKLBNKFNMNQP-MLHJIOFPSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851631 490778929 /nfs/dbraw/zinc/77/89/29/490778929.db2.gz JIZKLBNKFNMNQP-MLHJIOFPSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@@H](C)O1 ZINC000514669140 490779896 /nfs/dbraw/zinc/77/98/96/490779896.db2.gz UIOCMJSJFBIPJN-BRWVUGGUSA-N 2 2 365.522 0.997 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000514862605 490794438 /nfs/dbraw/zinc/79/44/38/490794438.db2.gz AHHSFWRGIKDVMH-KSWRQPAISA-N 2 2 371.547 0.860 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000514862605 490794440 /nfs/dbraw/zinc/79/44/40/490794440.db2.gz AHHSFWRGIKDVMH-KSWRQPAISA-N 2 2 371.547 0.860 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171685 490809081 /nfs/dbraw/zinc/80/90/81/490809081.db2.gz VPJXWIXPDYUVSX-YOEHRIQHSA-N 2 2 372.535 0.100 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171685 490809083 /nfs/dbraw/zinc/80/90/83/490809083.db2.gz VPJXWIXPDYUVSX-YOEHRIQHSA-N 2 2 372.535 0.100 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000557167265 491357290 /nfs/dbraw/zinc/35/72/90/491357290.db2.gz QNGXVVIVCKSMDT-MRXNPFEDSA-N 2 2 365.453 0.447 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000557167265 491357292 /nfs/dbraw/zinc/35/72/92/491357292.db2.gz QNGXVVIVCKSMDT-MRXNPFEDSA-N 2 2 365.453 0.447 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)C[C@@H](C)O1 ZINC000515166392 490810971 /nfs/dbraw/zinc/81/09/71/490810971.db2.gz NMGSXBSRBBJBDA-UMVBOHGHSA-N 2 2 367.881 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)C[C@H](C)O1 ZINC000515166390 490811141 /nfs/dbraw/zinc/81/11/41/490811141.db2.gz NMGSXBSRBBJBDA-GUTXKFCHSA-N 2 2 367.881 0.985 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)C[C@H](C)O1 ZINC000515166390 490811144 /nfs/dbraw/zinc/81/11/44/490811144.db2.gz NMGSXBSRBBJBDA-GUTXKFCHSA-N 2 2 367.881 0.985 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3C[C@@H](CO)[C@H](CO)C3)CC2)c1 ZINC000528606531 490812421 /nfs/dbraw/zinc/81/24/21/490812421.db2.gz LOGKVQLOZQVNNA-OALUTQOASA-N 2 2 361.486 0.172 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000528685069 490819390 /nfs/dbraw/zinc/81/93/90/490819390.db2.gz LGGHDLUXMRCFEZ-KRWDZBQOSA-N 2 2 374.489 0.931 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515850367 490841065 /nfs/dbraw/zinc/84/10/65/490841065.db2.gz BYXYYQQONHYZBU-CQSZACIVSA-N 2 2 356.430 0.196 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515850367 490841067 /nfs/dbraw/zinc/84/10/67/490841067.db2.gz BYXYYQQONHYZBU-CQSZACIVSA-N 2 2 356.430 0.196 20 0 FCADLP COc1ccc([C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000529284466 490847638 /nfs/dbraw/zinc/84/76/38/490847638.db2.gz OLGLOAKXUGJFDO-GOEBONIOSA-N 2 2 359.430 0.806 20 0 FCADLP C[C@H](O)[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014005 490847842 /nfs/dbraw/zinc/84/78/42/490847842.db2.gz WQLLFKBBCBQOID-WMZOPIPTSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014005 490847843 /nfs/dbraw/zinc/84/78/43/490847843.db2.gz WQLLFKBBCBQOID-WMZOPIPTSA-N 2 2 361.486 0.838 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000529305364 490848902 /nfs/dbraw/zinc/84/89/02/490848902.db2.gz KFJQGKIMCYNNHT-OAHLLOKOSA-N 2 2 360.524 0.135 20 0 FCADLP CC[N@H+](CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000541182958 490854288 /nfs/dbraw/zinc/85/42/88/490854288.db2.gz GTYSBTLCGFIBQN-OAHLLOKOSA-N 2 2 364.494 0.941 20 0 FCADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000541182958 490854289 /nfs/dbraw/zinc/85/42/89/490854289.db2.gz GTYSBTLCGFIBQN-OAHLLOKOSA-N 2 2 364.494 0.941 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000516175623 490854374 /nfs/dbraw/zinc/85/43/74/490854374.db2.gz QPVRNZGWLINEMM-CPUCHLNUSA-N 2 2 353.438 0.615 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000516173864 490854463 /nfs/dbraw/zinc/85/44/63/490854463.db2.gz GHXPFTZUKIHUJI-UKRRQHHQSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000516175624 490854816 /nfs/dbraw/zinc/85/48/16/490854816.db2.gz QPVRNZGWLINEMM-JKIFEVAISA-N 2 2 353.438 0.615 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000516334741 490861121 /nfs/dbraw/zinc/86/11/21/490861121.db2.gz MQWAJTWQGLYNFD-OAHLLOKOSA-N 2 2 361.490 0.974 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000516435586 490863744 /nfs/dbraw/zinc/86/37/44/490863744.db2.gz PELUYHHJDXCZAC-CQSZACIVSA-N 2 2 363.462 0.243 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000516435585 490863807 /nfs/dbraw/zinc/86/38/07/490863807.db2.gz PELUYHHJDXCZAC-AWEZNQCLSA-N 2 2 363.462 0.243 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000516470375 490864723 /nfs/dbraw/zinc/86/47/23/490864723.db2.gz QBKOSMKGKNRLNP-JKSUJKDBSA-N 3 2 361.490 0.752 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)C1(C)C ZINC000516568718 490868851 /nfs/dbraw/zinc/86/88/51/490868851.db2.gz VTRDTJJRBWBMQG-HBUWYVDXSA-N 2 2 355.479 0.520 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)C1(C)C ZINC000516568718 490868852 /nfs/dbraw/zinc/86/88/52/490868852.db2.gz VTRDTJJRBWBMQG-HBUWYVDXSA-N 2 2 355.479 0.520 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1[NH+](C)C ZINC000541755269 490871118 /nfs/dbraw/zinc/87/11/18/490871118.db2.gz KVRLYFYOBYMGPZ-RHSMWYFYSA-N 2 2 374.489 0.883 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660095 490873561 /nfs/dbraw/zinc/87/35/61/490873561.db2.gz KSVYRHAJXLQSSD-GOEBONIOSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660095 490873563 /nfs/dbraw/zinc/87/35/63/490873563.db2.gz KSVYRHAJXLQSSD-GOEBONIOSA-N 2 2 373.519 0.527 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123383 490886577 /nfs/dbraw/zinc/88/65/77/490886577.db2.gz OWRFDVMBQFQAFY-GJZGRUSLSA-N 2 2 362.478 0.647 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123383 490886579 /nfs/dbraw/zinc/88/65/79/490886579.db2.gz OWRFDVMBQFQAFY-GJZGRUSLSA-N 2 2 362.478 0.647 20 0 FCADLP C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361243 490901631 /nfs/dbraw/zinc/90/16/31/490901631.db2.gz NMGVYQCWJWDFTC-MAUKXSAKSA-N 2 2 359.470 0.721 20 0 FCADLP C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361243 490901633 /nfs/dbraw/zinc/90/16/33/490901633.db2.gz NMGVYQCWJWDFTC-MAUKXSAKSA-N 2 2 359.470 0.721 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000517574150 490913027 /nfs/dbraw/zinc/91/30/27/490913027.db2.gz IJNPSDGJFORUCD-MRXNPFEDSA-N 2 2 356.511 0.489 20 0 FCADLP C[NH+](CCN1CCCC1=O)CC1(C[N@H+](C)CCN2CCCC2=O)COC1 ZINC000542927853 490916311 /nfs/dbraw/zinc/91/63/11/490916311.db2.gz HDRQCHKXGPACEN-UHFFFAOYSA-N 2 2 366.506 0.111 20 0 FCADLP C[NH+](CCN1CCCC1=O)CC1(C[N@@H+](C)CCN2CCCC2=O)COC1 ZINC000542927853 490916312 /nfs/dbraw/zinc/91/63/12/490916312.db2.gz HDRQCHKXGPACEN-UHFFFAOYSA-N 2 2 366.506 0.111 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000530661068 490918228 /nfs/dbraw/zinc/91/82/28/490918228.db2.gz AJOKKYOLWDKJIQ-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000530661068 490918230 /nfs/dbraw/zinc/91/82/30/490918230.db2.gz AJOKKYOLWDKJIQ-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000543108081 490922750 /nfs/dbraw/zinc/92/27/50/490922750.db2.gz FOPQXMFSKKYRTG-OAHLLOKOSA-N 2 2 351.451 0.122 20 0 FCADLP CS[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985050 490927153 /nfs/dbraw/zinc/92/71/53/490927153.db2.gz DFBPWKBUIIKRPE-CQSZACIVSA-N 2 2 356.536 0.435 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000518175657 490932243 /nfs/dbraw/zinc/93/22/43/490932243.db2.gz LMZNWXRYESAXSP-DLBZAZTESA-N 2 2 362.474 0.372 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000518175657 490932246 /nfs/dbraw/zinc/93/22/46/490932246.db2.gz LMZNWXRYESAXSP-DLBZAZTESA-N 2 2 362.474 0.372 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000518175657 490932248 /nfs/dbraw/zinc/93/22/48/490932248.db2.gz LMZNWXRYESAXSP-DLBZAZTESA-N 2 2 362.474 0.372 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)n1C ZINC000530962157 490933276 /nfs/dbraw/zinc/93/32/76/490933276.db2.gz WCVLXNOQHRNBEL-UHFFFAOYSA-N 2 2 360.466 0.247 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CCO1 ZINC000518258732 490935193 /nfs/dbraw/zinc/93/51/93/490935193.db2.gz SWSUBDYSSVHJRX-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CCO1 ZINC000518258732 490935196 /nfs/dbraw/zinc/93/51/96/490935196.db2.gz SWSUBDYSSVHJRX-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000518258732 490935198 /nfs/dbraw/zinc/93/51/98/490935198.db2.gz SWSUBDYSSVHJRX-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000518258732 490935201 /nfs/dbraw/zinc/93/52/01/490935201.db2.gz SWSUBDYSSVHJRX-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP O=c1ccc(Br)cn1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000518360174 490938040 /nfs/dbraw/zinc/93/80/40/490938040.db2.gz RBSIFJGYWAFPBM-UKRRQHHQSA-N 2 2 356.264 0.967 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000531178978 490944932 /nfs/dbraw/zinc/94/49/32/490944932.db2.gz KHNUBYAYTCUYBL-HNNXBMFYSA-N 2 2 359.474 0.383 20 0 FCADLP Cc1cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189491 490945237 /nfs/dbraw/zinc/94/52/37/490945237.db2.gz GELNSVSYPGLTFI-INIZCTEOSA-N 2 2 363.510 0.826 20 0 FCADLP Cc1cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189491 490945240 /nfs/dbraw/zinc/94/52/40/490945240.db2.gz GELNSVSYPGLTFI-INIZCTEOSA-N 2 2 363.510 0.826 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000518575263 490945951 /nfs/dbraw/zinc/94/59/51/490945951.db2.gz OOASCZBUXZELSL-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000518575263 490945953 /nfs/dbraw/zinc/94/59/53/490945953.db2.gz OOASCZBUXZELSL-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP Cn1cnc(CCNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000531271206 490949301 /nfs/dbraw/zinc/94/93/01/490949301.db2.gz QYGDTDGFQCYNKU-UHFFFAOYSA-N 2 2 363.510 0.607 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000518763845 490950422 /nfs/dbraw/zinc/95/04/22/490950422.db2.gz AVNUNAZAIYXWEP-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378616 490954839 /nfs/dbraw/zinc/95/48/39/490954839.db2.gz HBLSUZIZPLPIDJ-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378616 490954841 /nfs/dbraw/zinc/95/48/41/490954841.db2.gz HBLSUZIZPLPIDJ-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378616 490954842 /nfs/dbraw/zinc/95/48/42/490954842.db2.gz HBLSUZIZPLPIDJ-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378616 490954844 /nfs/dbraw/zinc/95/48/44/490954844.db2.gz HBLSUZIZPLPIDJ-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP COC[C@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000519148588 490963117 /nfs/dbraw/zinc/96/31/17/490963117.db2.gz MBUSORGDFBWRJK-FQEVSTJZSA-N 2 2 374.485 0.832 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000519432494 490972293 /nfs/dbraw/zinc/97/22/93/490972293.db2.gz RYQKVEKLWXBXSB-CVEARBPZSA-N 2 2 355.442 0.733 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000572400000 491367620 /nfs/dbraw/zinc/36/76/20/491367620.db2.gz KSYKMSDFUXGRNV-CVEARBPZSA-N 2 2 359.474 0.788 20 0 FCADLP COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000519651078 490981974 /nfs/dbraw/zinc/98/19/74/490981974.db2.gz WNLUEAAPQMLDHB-INIZCTEOSA-N 2 2 358.508 0.725 20 0 FCADLP COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000519651078 490981975 /nfs/dbraw/zinc/98/19/75/490981975.db2.gz WNLUEAAPQMLDHB-INIZCTEOSA-N 2 2 358.508 0.725 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC3=CC[N@H+](C)CC3)nc2)CC1 ZINC000544845554 490983472 /nfs/dbraw/zinc/98/34/72/490983472.db2.gz FBSBPDWYTZFFEL-UHFFFAOYSA-N 2 2 365.503 0.692 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC3=CC[N@@H+](C)CC3)nc2)CC1 ZINC000544845554 490983474 /nfs/dbraw/zinc/98/34/74/490983474.db2.gz FBSBPDWYTZFFEL-UHFFFAOYSA-N 2 2 365.503 0.692 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC)cc1 ZINC000519702837 490985248 /nfs/dbraw/zinc/98/52/48/490985248.db2.gz GZSZZHQABQRVHW-UKRRQHHQSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC)cc1 ZINC000519702837 490985249 /nfs/dbraw/zinc/98/52/49/490985249.db2.gz GZSZZHQABQRVHW-UKRRQHHQSA-N 2 2 359.492 0.184 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)C2)CC1 ZINC000532348787 490991385 /nfs/dbraw/zinc/99/13/85/490991385.db2.gz MBSONKXTDBUCEH-QZTJIDSGSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)C2)CC1 ZINC000532348787 490991386 /nfs/dbraw/zinc/99/13/86/490991386.db2.gz MBSONKXTDBUCEH-QZTJIDSGSA-N 2 2 367.538 0.517 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cccc(-n3cccn3)c2)CN1CC[NH+]1CCOCC1 ZINC000532495737 490993380 /nfs/dbraw/zinc/99/33/80/490993380.db2.gz LHHSPCWKTZLNND-GOSISDBHSA-N 2 2 369.469 0.895 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cccc(-n3cccn3)c2)CN1CC[NH+]1CCOCC1 ZINC000532495742 490993480 /nfs/dbraw/zinc/99/34/80/490993480.db2.gz LHHSPCWKTZLNND-SFHVURJKSA-N 2 2 369.469 0.895 20 0 FCADLP O=C(CN1CCOCC1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000569611682 491174756 /nfs/dbraw/zinc/17/47/56/491174756.db2.gz MJTGNPZPFIXKES-UHFFFAOYSA-N 2 2 358.486 0.309 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000554199922 491183501 /nfs/dbraw/zinc/18/35/01/491183501.db2.gz OQKZCYLREYSEKU-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000554199922 491183503 /nfs/dbraw/zinc/18/35/03/491183503.db2.gz OQKZCYLREYSEKU-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000562770452 491187486 /nfs/dbraw/zinc/18/74/86/491187486.db2.gz ZKDOXDYSGFJSNB-UHFFFAOYSA-N 2 2 352.402 0.856 20 0 FCADLP O=C(C[NH2+]CC1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000565300980 491368466 /nfs/dbraw/zinc/36/84/66/491368466.db2.gz HYGHPBPPMZDELI-MRXNPFEDSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(C[NH2+]CC1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000565300980 491368467 /nfs/dbraw/zinc/36/84/67/491368467.db2.gz HYGHPBPPMZDELI-MRXNPFEDSA-N 2 2 374.489 0.398 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000572476939 491373020 /nfs/dbraw/zinc/37/30/20/491373020.db2.gz TYABLIGCVPQQQK-GJZGRUSLSA-N 2 2 355.398 0.665 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572501702 491374839 /nfs/dbraw/zinc/37/48/39/491374839.db2.gz BGDSLEZZRXIWLY-OAHLLOKOSA-N 2 2 364.515 0.898 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000572517499 491375719 /nfs/dbraw/zinc/37/57/19/491375719.db2.gz UXHSGNHXXIEUDU-HIFRSBDPSA-N 2 2 357.462 0.920 20 0 FCADLP CC(C)[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565479737 491379376 /nfs/dbraw/zinc/37/93/76/491379376.db2.gz LWVARPBWNXPXDZ-HZSPNIEDSA-N 2 2 365.482 0.287 20 0 FCADLP CC(C)[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565479737 491379378 /nfs/dbraw/zinc/37/93/78/491379378.db2.gz LWVARPBWNXPXDZ-HZSPNIEDSA-N 2 2 365.482 0.287 20 0 FCADLP CC(C)[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000565479745 491379448 /nfs/dbraw/zinc/37/94/48/491379448.db2.gz LWVARPBWNXPXDZ-MGPQQGTHSA-N 2 2 365.482 0.287 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000572612675 491381529 /nfs/dbraw/zinc/38/15/29/491381529.db2.gz TWSBJZYQCWPNAH-INIZCTEOSA-N 2 2 353.488 0.726 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000660281353 493339051 /nfs/dbraw/zinc/33/90/51/493339051.db2.gz XRIOPDTZOSFLPQ-HUUCEWRRSA-N 2 2 362.478 0.023 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000660281353 493339055 /nfs/dbraw/zinc/33/90/55/493339055.db2.gz XRIOPDTZOSFLPQ-HUUCEWRRSA-N 2 2 362.478 0.023 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000572706469 491387593 /nfs/dbraw/zinc/38/75/93/491387593.db2.gz GXJMWJDQGWRTDI-SJLPKXTDSA-N 2 2 373.501 0.121 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000572740489 491390682 /nfs/dbraw/zinc/39/06/82/491390682.db2.gz ZVDLLPSTWWZBMV-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557707454 491392952 /nfs/dbraw/zinc/39/29/52/491392952.db2.gz JPPSWMCWYXYBET-YESZJQIVSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557707454 491392955 /nfs/dbraw/zinc/39/29/55/491392955.db2.gz JPPSWMCWYXYBET-YESZJQIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000557706423 491392980 /nfs/dbraw/zinc/39/29/80/491392980.db2.gz GJRUXGXYRQDJSP-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000557706423 491392982 /nfs/dbraw/zinc/39/29/82/491392982.db2.gz GJRUXGXYRQDJSP-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000565833705 491402280 /nfs/dbraw/zinc/40/22/80/491402280.db2.gz PSJLEMRDQNGQGR-ZWKOTPCHSA-N 2 2 356.470 0.541 20 0 FCADLP OCC1([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)Cc2ccccc2C1 ZINC000558088740 491412825 /nfs/dbraw/zinc/41/28/25/491412825.db2.gz ZQZAMRGEELHBCE-UHFFFAOYSA-N 2 2 359.514 0.903 20 0 FCADLP OCC1([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)Cc2ccccc2C1 ZINC000558088740 491412828 /nfs/dbraw/zinc/41/28/28/491412828.db2.gz ZQZAMRGEELHBCE-UHFFFAOYSA-N 2 2 359.514 0.903 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000566163066 491421823 /nfs/dbraw/zinc/42/18/23/491421823.db2.gz SYXIAYXCZFVZPV-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000566201326 491425533 /nfs/dbraw/zinc/42/55/33/491425533.db2.gz XUPPLCLRJZSOOO-JKSUJKDBSA-N 2 2 359.474 0.706 20 0 FCADLP COC1(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC[NH2+]CC1 ZINC000573372437 491429497 /nfs/dbraw/zinc/42/94/97/491429497.db2.gz MUZWUMYZYNIIDD-KBPBESRZSA-N 2 2 353.442 0.217 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CN=NC1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000566248734 491430559 /nfs/dbraw/zinc/43/05/59/491430559.db2.gz OZCYMVBMJYNTRP-ZDUSSCGKSA-N 2 2 359.434 0.371 20 0 FCADLP O=C(CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)NCC[NH+]1CCCCCC1 ZINC000573398050 491431075 /nfs/dbraw/zinc/43/10/75/491431075.db2.gz XDESIPJHUXESTC-HNNXBMFYSA-N 2 2 362.478 0.489 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000566301378 491433930 /nfs/dbraw/zinc/43/39/30/491433930.db2.gz XRLPBTQJSMHBMK-IBGZPJMESA-N 3 2 364.453 0.846 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000558702063 491441971 /nfs/dbraw/zinc/44/19/71/491441971.db2.gz FYVGUQLBTIIZES-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000558702063 491441972 /nfs/dbraw/zinc/44/19/72/491441972.db2.gz FYVGUQLBTIIZES-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000573643816 491445835 /nfs/dbraw/zinc/44/58/35/491445835.db2.gz KJWKNEZVFXMSAS-HNNXBMFYSA-N 2 2 373.457 0.806 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000573675011 491447479 /nfs/dbraw/zinc/44/74/79/491447479.db2.gz ZHDNGNSVUOUGSE-UHDSXZAQSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000573754199 491452779 /nfs/dbraw/zinc/45/27/79/491452779.db2.gz SQWSDPAGDRHCHE-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000573754199 491452782 /nfs/dbraw/zinc/45/27/82/491452782.db2.gz SQWSDPAGDRHCHE-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000566569419 491454003 /nfs/dbraw/zinc/45/40/03/491454003.db2.gz SOTITZFWQLNGSP-INIZCTEOSA-N 2 2 355.504 0.742 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000566569419 491454005 /nfs/dbraw/zinc/45/40/05/491454005.db2.gz SOTITZFWQLNGSP-INIZCTEOSA-N 2 2 355.504 0.742 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785315 491454576 /nfs/dbraw/zinc/45/45/76/491454576.db2.gz LNBIFFPUKQSANR-QZTJIDSGSA-N 2 2 361.490 0.090 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785315 491454578 /nfs/dbraw/zinc/45/45/78/491454578.db2.gz LNBIFFPUKQSANR-QZTJIDSGSA-N 2 2 361.490 0.090 20 0 FCADLP CSc1cccc(N2C[C@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)c1 ZINC000573918355 491462624 /nfs/dbraw/zinc/46/26/24/491462624.db2.gz CCQVQYPMNSESLI-UKRRQHHQSA-N 2 2 362.499 0.863 20 0 FCADLP CSc1cccc(N2C[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)c1 ZINC000573918355 491462625 /nfs/dbraw/zinc/46/26/25/491462625.db2.gz CCQVQYPMNSESLI-UKRRQHHQSA-N 2 2 362.499 0.863 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000566734993 491463770 /nfs/dbraw/zinc/46/37/70/491463770.db2.gz VXRMEJWNBNDKCR-GOSISDBHSA-N 2 2 374.485 0.393 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559380707 491469052 /nfs/dbraw/zinc/46/90/52/491469052.db2.gz WYTKFSSMWFFCDG-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559380707 491469054 /nfs/dbraw/zinc/46/90/54/491469054.db2.gz WYTKFSSMWFFCDG-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000574077819 491473180 /nfs/dbraw/zinc/47/31/80/491473180.db2.gz AZAFHAPRADOZGG-SJORKVTESA-N 2 2 351.495 0.934 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1)[NH+]1CCOCC1 ZINC000559465289 491475728 /nfs/dbraw/zinc/47/57/28/491475728.db2.gz LQZHRNLVWASVQV-IEBWSBKVSA-N 2 2 369.506 0.123 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000559550966 491480061 /nfs/dbraw/zinc/48/00/61/491480061.db2.gz BYPJAEUSTRRMGF-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000559550966 491480063 /nfs/dbraw/zinc/48/00/63/491480063.db2.gz BYPJAEUSTRRMGF-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552295 491480778 /nfs/dbraw/zinc/48/07/78/491480778.db2.gz SVWSIZQDHZISGY-IRXDYDNUSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552295 491480779 /nfs/dbraw/zinc/48/07/79/491480779.db2.gz SVWSIZQDHZISGY-IRXDYDNUSA-N 2 2 368.522 0.258 20 0 FCADLP O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051866 491482825 /nfs/dbraw/zinc/48/28/25/491482825.db2.gz BZTUGIIXSDHKAG-AZUAARDMSA-N 2 2 372.513 0.676 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051866 491482827 /nfs/dbraw/zinc/48/28/27/491482827.db2.gz BZTUGIIXSDHKAG-AZUAARDMSA-N 3 2 372.513 0.676 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051866 491482828 /nfs/dbraw/zinc/48/28/28/491482828.db2.gz BZTUGIIXSDHKAG-AZUAARDMSA-N 3 2 372.513 0.676 20 0 FCADLP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600459 491484463 /nfs/dbraw/zinc/48/44/63/491484463.db2.gz HKJGFTCRRGWVCW-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600459 491484465 /nfs/dbraw/zinc/48/44/65/491484465.db2.gz HKJGFTCRRGWVCW-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600455 491484705 /nfs/dbraw/zinc/48/47/05/491484705.db2.gz HKJGFTCRRGWVCW-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600455 491484708 /nfs/dbraw/zinc/48/47/08/491484708.db2.gz HKJGFTCRRGWVCW-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567225184 491493098 /nfs/dbraw/zinc/49/30/98/491493098.db2.gz ZDLVHTPWGMVNJQ-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567225184 491493101 /nfs/dbraw/zinc/49/31/01/491493101.db2.gz ZDLVHTPWGMVNJQ-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000567223022 491493145 /nfs/dbraw/zinc/49/31/45/491493145.db2.gz SFVBUIZEVMBDEP-JYYAWHABSA-N 2 2 363.506 0.369 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000574443226 491496638 /nfs/dbraw/zinc/49/66/38/491496638.db2.gz PGEGDARVZLNNHY-LAVFITLUSA-N 2 2 371.485 0.483 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000574505648 491501228 /nfs/dbraw/zinc/50/12/28/491501228.db2.gz PMFKYBDVAYIJDR-GOEBONIOSA-N 2 2 359.474 0.431 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000574505648 491501230 /nfs/dbraw/zinc/50/12/30/491501230.db2.gz PMFKYBDVAYIJDR-GOEBONIOSA-N 2 2 359.474 0.431 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000567362133 491501926 /nfs/dbraw/zinc/50/19/26/491501926.db2.gz QUZQXOAVTCKUOQ-SJORKVTESA-N 2 2 363.506 0.467 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000574512504 491502304 /nfs/dbraw/zinc/50/23/04/491502304.db2.gz PMPFPASSAYMPAV-OAHLLOKOSA-N 2 2 362.430 0.802 20 0 FCADLP CSCC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)N(C)C ZINC000567423882 491505809 /nfs/dbraw/zinc/50/58/09/491505809.db2.gz GYFRBOSRHNYVMN-HNNXBMFYSA-N 2 2 366.535 0.528 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000559902911 491508694 /nfs/dbraw/zinc/50/86/94/491508694.db2.gz VTKSBXGFUFNEBT-HUUCEWRRSA-N 2 2 359.474 0.786 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000559902911 491508695 /nfs/dbraw/zinc/50/86/95/491508695.db2.gz VTKSBXGFUFNEBT-HUUCEWRRSA-N 2 2 359.474 0.786 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000559970208 491512866 /nfs/dbraw/zinc/51/28/66/491512866.db2.gz LNAVBPJSZBQQBY-ZDUSSCGKSA-N 2 2 361.421 0.905 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000567586308 491515815 /nfs/dbraw/zinc/51/58/15/491515815.db2.gz QMSGQRMXNUZZQK-ULQDDVLXSA-N 2 2 367.469 0.545 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000567586308 491515818 /nfs/dbraw/zinc/51/58/18/491515818.db2.gz QMSGQRMXNUZZQK-ULQDDVLXSA-N 2 2 367.469 0.545 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000567596370 491516693 /nfs/dbraw/zinc/51/66/93/491516693.db2.gz SVRCFIUQMZTRBS-NSHDSACASA-N 2 2 357.252 0.939 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000567596370 491516696 /nfs/dbraw/zinc/51/66/96/491516696.db2.gz SVRCFIUQMZTRBS-NSHDSACASA-N 2 2 357.252 0.939 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000574741502 491517119 /nfs/dbraw/zinc/51/71/19/491517119.db2.gz NGCKBILKNJNRAG-ZBFHGGJFSA-N 2 2 362.478 0.433 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000574766920 491518830 /nfs/dbraw/zinc/51/88/30/491518830.db2.gz WQLHWQNNSMKCLK-MRXNPFEDSA-N 2 2 351.495 0.733 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000574766920 491518831 /nfs/dbraw/zinc/51/88/31/491518831.db2.gz WQLHWQNNSMKCLK-MRXNPFEDSA-N 2 2 351.495 0.733 20 0 FCADLP CC(C)OC[C@@H](CO)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683375593 493348086 /nfs/dbraw/zinc/34/80/86/493348086.db2.gz GEORMOSLMWRSRK-NVXWUHKLSA-N 2 2 356.511 0.582 20 0 FCADLP CC(C)OC[C@@H](CO)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683375593 493348089 /nfs/dbraw/zinc/34/80/89/493348089.db2.gz GEORMOSLMWRSRK-NVXWUHKLSA-N 2 2 356.511 0.582 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000574880389 491525455 /nfs/dbraw/zinc/52/54/55/491525455.db2.gz FYDSOFHNDFGLSY-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCN3CCCC3=O)CC2)CC1 ZINC000574880389 491525456 /nfs/dbraw/zinc/52/54/56/491525456.db2.gz FYDSOFHNDFGLSY-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000574875612 491525517 /nfs/dbraw/zinc/52/55/17/491525517.db2.gz WTXNREPJSSZZIX-HOTGVXAUSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000574875612 491525519 /nfs/dbraw/zinc/52/55/19/491525519.db2.gz WTXNREPJSSZZIX-HOTGVXAUSA-N 2 2 354.495 0.188 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000574939198 491529010 /nfs/dbraw/zinc/52/90/10/491529010.db2.gz GGWLXINZXMTPFR-DUVNUKRYSA-N 2 2 359.474 0.784 20 0 FCADLP Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)nc1 ZINC000574956151 491530496 /nfs/dbraw/zinc/53/04/96/491530496.db2.gz IDVWYFOPTGSZQL-UHFFFAOYSA-N 2 2 359.474 0.959 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000567802105 491530749 /nfs/dbraw/zinc/53/07/49/491530749.db2.gz XIRWMXBJFQFNTI-IKGGRYGDSA-N 2 2 366.506 0.012 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000574995935 491532698 /nfs/dbraw/zinc/53/26/98/491532698.db2.gz NPEPQTIQFOVLCF-UHFFFAOYSA-N 2 2 364.515 0.810 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000574995935 491532699 /nfs/dbraw/zinc/53/26/99/491532699.db2.gz NPEPQTIQFOVLCF-UHFFFAOYSA-N 2 2 364.515 0.810 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000575046190 491535714 /nfs/dbraw/zinc/53/57/14/491535714.db2.gz GHYMYOHHKOHVPF-XLAORIBOSA-N 2 2 352.475 0.794 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000575060959 491536863 /nfs/dbraw/zinc/53/68/63/491536863.db2.gz SNEQRNQDCKNNJT-ZIAGYGMSSA-N 2 2 353.488 0.831 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000575060956 491537030 /nfs/dbraw/zinc/53/70/30/491537030.db2.gz SNEQRNQDCKNNJT-KBPBESRZSA-N 2 2 353.488 0.831 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567889257 491538629 /nfs/dbraw/zinc/53/86/29/491538629.db2.gz GENFPTIFRKKESR-DZGCQCFKSA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567889257 491538631 /nfs/dbraw/zinc/53/86/31/491538631.db2.gz GENFPTIFRKKESR-DZGCQCFKSA-N 2 2 363.458 0.870 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000575163837 491543213 /nfs/dbraw/zinc/54/32/13/491543213.db2.gz YSVQTFYSGPSXML-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000575163837 491543215 /nfs/dbraw/zinc/54/32/15/491543215.db2.gz YSVQTFYSGPSXML-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(=O)[nH]n1 ZINC000560529285 491543974 /nfs/dbraw/zinc/54/39/74/491543974.db2.gz MCNMJQUPCCUHEQ-AWEZNQCLSA-N 2 2 356.430 0.967 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192766 491544663 /nfs/dbraw/zinc/54/46/63/491544663.db2.gz MLTFUEXTCRHIKM-HOTGVXAUSA-N 2 2 359.474 0.849 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000568051474 491550388 /nfs/dbraw/zinc/55/03/88/491550388.db2.gz NIBQLZRUXRFGDI-DLBZAZTESA-N 2 2 364.515 0.455 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000560668875 491551530 /nfs/dbraw/zinc/55/15/30/491551530.db2.gz ANGCFMNLTFAHJM-CQSZACIVSA-N 2 2 352.504 0.849 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C(C)C)cc1 ZINC000575430847 491554173 /nfs/dbraw/zinc/55/41/73/491554173.db2.gz LSVOTZUGBYQAKR-SZVBFZGTSA-N 2 2 374.485 0.752 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C(C)C)cc1 ZINC000575430847 491554175 /nfs/dbraw/zinc/55/41/75/491554175.db2.gz LSVOTZUGBYQAKR-SZVBFZGTSA-N 2 2 374.485 0.752 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164777 491557019 /nfs/dbraw/zinc/55/70/19/491557019.db2.gz ZYORNBKUTBLHAU-DLBZAZTESA-N 2 2 364.490 0.980 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164777 491557020 /nfs/dbraw/zinc/55/70/20/491557020.db2.gz ZYORNBKUTBLHAU-DLBZAZTESA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164777 491557021 /nfs/dbraw/zinc/55/70/21/491557021.db2.gz ZYORNBKUTBLHAU-DLBZAZTESA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164777 491557022 /nfs/dbraw/zinc/55/70/22/491557022.db2.gz ZYORNBKUTBLHAU-DLBZAZTESA-N 2 2 364.490 0.980 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)nn1 ZINC000568177048 491557501 /nfs/dbraw/zinc/55/75/01/491557501.db2.gz LONPVIGPUPNBTH-CQSZACIVSA-N 2 2 351.451 0.179 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)nn1 ZINC000568177048 491557503 /nfs/dbraw/zinc/55/75/03/491557503.db2.gz LONPVIGPUPNBTH-CQSZACIVSA-N 2 2 351.451 0.179 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000575766296 491559623 /nfs/dbraw/zinc/55/96/23/491559623.db2.gz PXNLFIPLDIVVHK-IXDOHACOSA-N 2 2 368.522 0.448 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000560860708 491560796 /nfs/dbraw/zinc/56/07/96/491560796.db2.gz RWSOWSRACRUPJK-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000575852651 491564971 /nfs/dbraw/zinc/56/49/71/491564971.db2.gz JVNFUIGLFWEOGO-ROUUACIJSA-N 2 2 361.490 0.263 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3(CC(N)=O)CC3)CC2)CC1 ZINC000575913490 491569537 /nfs/dbraw/zinc/56/95/37/491569537.db2.gz IUTUQXKTYFRIHX-UHFFFAOYSA-N 2 2 365.522 0.844 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3(CC(N)=O)CC3)CC2)CC1 ZINC000575913490 491569538 /nfs/dbraw/zinc/56/95/38/491569538.db2.gz IUTUQXKTYFRIHX-UHFFFAOYSA-N 2 2 365.522 0.844 20 0 FCADLP O=C(CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CCOCC1 ZINC000575933882 491571171 /nfs/dbraw/zinc/57/11/71/491571171.db2.gz YMFBPRLKXXSUQC-SFHVURJKSA-N 2 2 374.485 0.073 20 0 FCADLP O=C(CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CCOCC1 ZINC000575933882 491571174 /nfs/dbraw/zinc/57/11/74/491571174.db2.gz YMFBPRLKXXSUQC-SFHVURJKSA-N 2 2 374.485 0.073 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000575999615 491574698 /nfs/dbraw/zinc/57/46/98/491574698.db2.gz KBBYYBXSBXGKAC-NSHDSACASA-N 2 2 359.356 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000575999615 491574701 /nfs/dbraw/zinc/57/47/01/491574701.db2.gz KBBYYBXSBXGKAC-NSHDSACASA-N 2 2 359.356 0.975 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CCN2C1=O ZINC000576053321 491578985 /nfs/dbraw/zinc/57/89/85/491578985.db2.gz KLPRRGNCYGOILN-IRXDYDNUSA-N 2 2 353.426 0.244 20 0 FCADLP CCOC(=O)c1csc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000568502748 491580715 /nfs/dbraw/zinc/58/07/15/491580715.db2.gz ZQMUZZITUHGCTI-MCIONIFRSA-N 2 2 371.503 0.922 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)cc1 ZINC000568506798 491581397 /nfs/dbraw/zinc/58/13/97/491581397.db2.gz BFMKUYZAVYSDNT-GOSISDBHSA-N 2 2 374.485 0.697 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000561195172 491581829 /nfs/dbraw/zinc/58/18/29/491581829.db2.gz ZSBXPLKLPJUTSF-KFWWJZLASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000561195172 491581832 /nfs/dbraw/zinc/58/18/32/491581832.db2.gz ZSBXPLKLPJUTSF-KFWWJZLASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000561195172 491581834 /nfs/dbraw/zinc/58/18/34/491581834.db2.gz ZSBXPLKLPJUTSF-KFWWJZLASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000561195172 491581836 /nfs/dbraw/zinc/58/18/36/491581836.db2.gz ZSBXPLKLPJUTSF-KFWWJZLASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561198548 491582826 /nfs/dbraw/zinc/58/28/26/491582826.db2.gz UIEYXHZPXOGLPJ-WBVHZDCISA-N 2 2 361.490 0.833 20 0 FCADLP C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561198548 491582830 /nfs/dbraw/zinc/58/28/30/491582830.db2.gz UIEYXHZPXOGLPJ-WBVHZDCISA-N 2 2 361.490 0.833 20 0 FCADLP C[C@@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000561205464 491583688 /nfs/dbraw/zinc/58/36/88/491583688.db2.gz DBUGJXQYNLVQJW-KRWDZBQOSA-N 2 2 358.486 0.787 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576149021 491586138 /nfs/dbraw/zinc/58/61/38/491586138.db2.gz FFJWGQBJSJYZSN-HZPDHXFCSA-N 2 2 374.489 0.479 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576149021 491586143 /nfs/dbraw/zinc/58/61/43/491586143.db2.gz FFJWGQBJSJYZSN-HZPDHXFCSA-N 2 2 374.489 0.479 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447834 493352787 /nfs/dbraw/zinc/35/27/87/493352787.db2.gz OIIVXUMSPLIJOE-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447834 493352790 /nfs/dbraw/zinc/35/27/90/493352790.db2.gz OIIVXUMSPLIJOE-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000660449296 493352979 /nfs/dbraw/zinc/35/29/79/493352979.db2.gz UHZOUPZWYOSFJE-XWTMOSNGSA-N 2 2 350.484 0.862 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000660449296 493352982 /nfs/dbraw/zinc/35/29/82/493352982.db2.gz UHZOUPZWYOSFJE-XWTMOSNGSA-N 2 2 350.484 0.862 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000660449296 493352985 /nfs/dbraw/zinc/35/29/85/493352985.db2.gz UHZOUPZWYOSFJE-XWTMOSNGSA-N 2 2 350.484 0.862 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000660449296 493352987 /nfs/dbraw/zinc/35/29/87/493352987.db2.gz UHZOUPZWYOSFJE-XWTMOSNGSA-N 2 2 350.484 0.862 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000584413474 491588419 /nfs/dbraw/zinc/58/84/19/491588419.db2.gz YHIYKMKATATXAM-KBXCAEBGSA-N 2 2 356.470 0.685 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000577084994 491588896 /nfs/dbraw/zinc/58/88/96/491588896.db2.gz QGAJJLZSSNHXMR-SJORKVTESA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561252424 491589365 /nfs/dbraw/zinc/58/93/65/491589365.db2.gz GMGQIDLPMBSCLC-XYJFISCASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561252424 491589367 /nfs/dbraw/zinc/58/93/67/491589367.db2.gz GMGQIDLPMBSCLC-XYJFISCASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561252422 491589766 /nfs/dbraw/zinc/58/97/66/491589766.db2.gz GMGQIDLPMBSCLC-JZXOWHBKSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561252422 491589769 /nfs/dbraw/zinc/58/97/69/491589769.db2.gz GMGQIDLPMBSCLC-JZXOWHBKSA-N 2 2 374.485 0.212 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584422314 491589958 /nfs/dbraw/zinc/58/99/58/491589958.db2.gz SHVVMXOHDPVQHV-LSDHHAIUSA-N 2 2 370.457 0.688 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584422312 491590129 /nfs/dbraw/zinc/59/01/29/491590129.db2.gz SHVVMXOHDPVQHV-GJZGRUSLSA-N 2 2 370.457 0.688 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000561258092 491590428 /nfs/dbraw/zinc/59/04/28/491590428.db2.gz BWTUQPUNSVWATI-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568608406 491591625 /nfs/dbraw/zinc/59/16/25/491591625.db2.gz ODFNXYSQAGUBGI-LJQANCHMSA-N 2 2 373.505 0.384 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000668429836 493353363 /nfs/dbraw/zinc/35/33/63/493353363.db2.gz RYDOMCIZBJPLSU-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000668429836 493353364 /nfs/dbraw/zinc/35/33/64/493353364.db2.gz RYDOMCIZBJPLSU-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000660470333 493353954 /nfs/dbraw/zinc/35/39/54/493353954.db2.gz NWXNGRKBQMTLPP-KRWDZBQOSA-N 2 2 367.453 0.958 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000660470333 493353955 /nfs/dbraw/zinc/35/39/55/493353955.db2.gz NWXNGRKBQMTLPP-KRWDZBQOSA-N 2 2 367.453 0.958 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@H]3CC[N@@H+](C)C[C@@H]31)CCC2 ZINC000576308066 491604204 /nfs/dbraw/zinc/60/42/04/491604204.db2.gz COFINUAAKNJHNP-PMPSAXMXSA-N 2 2 359.474 0.738 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@H]3CC[N@H+](C)C[C@@H]31)CCC2 ZINC000576308066 491604207 /nfs/dbraw/zinc/60/42/07/491604207.db2.gz COFINUAAKNJHNP-PMPSAXMXSA-N 2 2 359.474 0.738 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238523 491605876 /nfs/dbraw/zinc/60/58/76/491605876.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238523 491605878 /nfs/dbraw/zinc/60/58/78/491605878.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238523 491605880 /nfs/dbraw/zinc/60/58/80/491605880.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238523 491605882 /nfs/dbraw/zinc/60/58/82/491605882.db2.gz BLAGGZWKCWYNEM-JKSUJKDBSA-N 3 2 367.538 0.070 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000568760734 491607415 /nfs/dbraw/zinc/60/74/15/491607415.db2.gz XZCGWRYDXODISR-CABCVRRESA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000568760734 491607416 /nfs/dbraw/zinc/60/74/16/491607416.db2.gz XZCGWRYDXODISR-CABCVRRESA-N 2 2 350.850 0.794 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000577278272 491608957 /nfs/dbraw/zinc/60/89/57/491608957.db2.gz ZXKSUXQYOQAMDZ-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000577285983 491609461 /nfs/dbraw/zinc/60/94/61/491609461.db2.gz PPNJQIJASBOECY-UHFFFAOYSA-N 2 2 350.438 0.668 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000576382986 491610405 /nfs/dbraw/zinc/61/04/05/491610405.db2.gz BYODTQCMQVQLRI-UHFFFAOYSA-N 2 2 370.563 0.873 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000576382986 491610407 /nfs/dbraw/zinc/61/04/07/491610407.db2.gz BYODTQCMQVQLRI-UHFFFAOYSA-N 2 2 370.563 0.873 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000576397600 491611319 /nfs/dbraw/zinc/61/13/19/491611319.db2.gz WPCQVCXZVDQKNE-OALUTQOASA-N 2 2 370.497 0.931 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000576397600 491611322 /nfs/dbraw/zinc/61/13/22/491611322.db2.gz WPCQVCXZVDQKNE-OALUTQOASA-N 2 2 370.497 0.931 20 0 FCADLP CN1C[C@H]([N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000568878658 491616600 /nfs/dbraw/zinc/61/66/00/491616600.db2.gz FNCDEMMPGAGDAD-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CN1C[C@H]([N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000568878658 491616602 /nfs/dbraw/zinc/61/66/02/491616602.db2.gz FNCDEMMPGAGDAD-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP [NH3+][C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000576461673 491617117 /nfs/dbraw/zinc/61/71/17/491617117.db2.gz FFZPUJPJLPAVFY-INIZCTEOSA-N 3 2 360.487 0.866 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1=O ZINC000568894111 491617999 /nfs/dbraw/zinc/61/79/99/491617999.db2.gz LOQMVMOFENIJDH-LSDHHAIUSA-N 2 2 351.451 0.130 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1=O ZINC000568894111 491618002 /nfs/dbraw/zinc/61/80/02/491618002.db2.gz LOQMVMOFENIJDH-LSDHHAIUSA-N 2 2 351.451 0.130 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396950 491618425 /nfs/dbraw/zinc/61/84/25/491618425.db2.gz UWRQSKAHIAGCPF-STQMWFEESA-N 2 2 365.478 0.027 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396950 491618426 /nfs/dbraw/zinc/61/84/26/491618426.db2.gz UWRQSKAHIAGCPF-STQMWFEESA-N 2 2 365.478 0.027 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600230 491628744 /nfs/dbraw/zinc/62/87/44/491628744.db2.gz WESSTRCGXDZFFF-DLBZAZTESA-N 2 2 367.453 0.137 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600230 491628745 /nfs/dbraw/zinc/62/87/45/491628745.db2.gz WESSTRCGXDZFFF-DLBZAZTESA-N 2 2 367.453 0.137 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)CCC2 ZINC000561750582 491629241 /nfs/dbraw/zinc/62/92/41/491629241.db2.gz LFQSRWKSGXXAQF-AWEZNQCLSA-N 2 2 365.503 0.350 20 0 FCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000569115671 491635256 /nfs/dbraw/zinc/63/52/56/491635256.db2.gz RSAFTNLVJZCKFX-UHFFFAOYSA-N 2 2 363.487 0.822 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704238 491637568 /nfs/dbraw/zinc/63/75/68/491637568.db2.gz CCNNMIRJNXVZMN-MJGOQNOKSA-N 2 2 370.497 0.967 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704238 491637571 /nfs/dbraw/zinc/63/75/71/491637571.db2.gz CCNNMIRJNXVZMN-MJGOQNOKSA-N 2 2 370.497 0.967 20 0 FCADLP CCS(=O)(=O)N1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000561907652 491639817 /nfs/dbraw/zinc/63/98/17/491639817.db2.gz SRSXGYSWPOBEJC-QGZVFWFLSA-N 2 2 360.568 0.758 20 0 FCADLP CCS(=O)(=O)N1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000561907652 491639820 /nfs/dbraw/zinc/63/98/20/491639820.db2.gz SRSXGYSWPOBEJC-QGZVFWFLSA-N 2 2 360.568 0.758 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000577658348 491640814 /nfs/dbraw/zinc/64/08/14/491640814.db2.gz GKZUBRFKENGSOD-MRXNPFEDSA-N 2 2 359.474 0.575 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000577662943 491641273 /nfs/dbraw/zinc/64/12/73/491641273.db2.gz DZRHHPCBXAZLPQ-HUUCEWRRSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000577662943 491641275 /nfs/dbraw/zinc/64/12/75/491641275.db2.gz DZRHHPCBXAZLPQ-HUUCEWRRSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000561998066 491644824 /nfs/dbraw/zinc/64/48/24/491644824.db2.gz BVUUUQUTGKADRK-HOCLYGCPSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000561998066 491644825 /nfs/dbraw/zinc/64/48/25/491644825.db2.gz BVUUUQUTGKADRK-HOCLYGCPSA-N 2 2 359.474 0.869 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577752535 491649143 /nfs/dbraw/zinc/64/91/43/491649143.db2.gz ARPZKKVTLWHIML-FRRDWIJNSA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577752535 491649145 /nfs/dbraw/zinc/64/91/45/491649145.db2.gz ARPZKKVTLWHIML-FRRDWIJNSA-N 2 2 352.460 0.202 20 0 FCADLP CN1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCC1=O ZINC000577766151 491650559 /nfs/dbraw/zinc/65/05/59/491650559.db2.gz VJRBUAAXMCEIGP-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP CN1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCC1=O ZINC000577766151 491650561 /nfs/dbraw/zinc/65/05/61/491650561.db2.gz VJRBUAAXMCEIGP-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP COCC[C@@]1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559004 493358602 /nfs/dbraw/zinc/35/86/02/493358602.db2.gz JLRTUEQXNSZEAB-CRAIPNDOSA-N 2 2 354.495 0.650 20 0 FCADLP COCC[C@@]1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559004 493358605 /nfs/dbraw/zinc/35/86/05/493358605.db2.gz JLRTUEQXNSZEAB-CRAIPNDOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000576880581 491653793 /nfs/dbraw/zinc/65/37/93/491653793.db2.gz RFTAWQXUYOAOTJ-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CSC1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CC[NH+](C)CC1 ZINC000562249209 491662418 /nfs/dbraw/zinc/66/24/18/491662418.db2.gz OBFSZCGLDODFKY-UHFFFAOYSA-N 2 2 356.536 0.978 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(Cl)cc1 ZINC000577999514 491667207 /nfs/dbraw/zinc/66/72/07/491667207.db2.gz PQJBXKFCYSLTSL-GFCCVEGCSA-N 2 2 362.808 0.769 20 0 FCADLP CSC1(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000578288237 491674044 /nfs/dbraw/zinc/67/40/44/491674044.db2.gz QKZAMULDQSNHFS-UHFFFAOYSA-N 2 2 362.565 0.382 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000578933548 491687411 /nfs/dbraw/zinc/68/74/11/491687411.db2.gz UOQDDUCEGJZOHF-GDBMZVCRSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000578933548 491687412 /nfs/dbraw/zinc/68/74/12/491687412.db2.gz UOQDDUCEGJZOHF-GDBMZVCRSA-N 2 2 359.474 0.880 20 0 FCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)no1 ZINC000578985951 491688322 /nfs/dbraw/zinc/68/83/22/491688322.db2.gz IJJCPUVCTRZTFM-CYBMUJFWSA-N 2 2 361.450 0.917 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@H](C[NH3+])C1 ZINC000579091463 491690757 /nfs/dbraw/zinc/69/07/57/491690757.db2.gz UUVPLCYLGMNBDO-QZTJIDSGSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@H](C[NH3+])C1 ZINC000579091463 491690758 /nfs/dbraw/zinc/69/07/58/491690758.db2.gz UUVPLCYLGMNBDO-QZTJIDSGSA-N 2 2 373.501 0.504 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000579119219 491691435 /nfs/dbraw/zinc/69/14/35/491691435.db2.gz LHAXKPDYYUSBCC-KRWDZBQOSA-N 2 2 368.522 0.437 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254191 491694095 /nfs/dbraw/zinc/69/40/95/491694095.db2.gz AKLAGMKDFIASLN-CABCVRRESA-N 2 2 355.483 0.597 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254191 491694096 /nfs/dbraw/zinc/69/40/96/491694096.db2.gz AKLAGMKDFIASLN-CABCVRRESA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254191 491694097 /nfs/dbraw/zinc/69/40/97/491694097.db2.gz AKLAGMKDFIASLN-CABCVRRESA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254191 491694098 /nfs/dbraw/zinc/69/40/98/491694098.db2.gz AKLAGMKDFIASLN-CABCVRRESA-N 2 2 355.483 0.597 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000579320593 491695245 /nfs/dbraw/zinc/69/52/45/491695245.db2.gz DRCWWJXQOBQROE-HUUCEWRRSA-N 2 2 360.462 0.839 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000579570894 491700645 /nfs/dbraw/zinc/70/06/45/491700645.db2.gz BESXWASIZFJILE-HUUCEWRRSA-N 2 2 367.519 0.324 20 0 FCADLP CC1(C(=O)N2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C[NH2+]C1 ZINC000579702115 491703343 /nfs/dbraw/zinc/70/33/43/491703343.db2.gz YSRSTZUXXJLWPO-SFHVURJKSA-N 2 2 370.497 0.931 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000579856775 491707018 /nfs/dbraw/zinc/70/70/18/491707018.db2.gz XKHWWTFESBFPIF-DLBZAZTESA-N 2 2 371.547 0.355 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000579856778 491707173 /nfs/dbraw/zinc/70/71/73/491707173.db2.gz XKHWWTFESBFPIF-SJORKVTESA-N 2 2 371.547 0.355 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000580431069 491731034 /nfs/dbraw/zinc/73/10/34/491731034.db2.gz BWCYNLHAVZDBIE-LSDHHAIUSA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000580431069 491731036 /nfs/dbraw/zinc/73/10/36/491731036.db2.gz BWCYNLHAVZDBIE-LSDHHAIUSA-N 2 2 361.442 0.080 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580505904 491733823 /nfs/dbraw/zinc/73/38/23/491733823.db2.gz XBSJEBRKHFJXQR-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580505904 491733825 /nfs/dbraw/zinc/73/38/25/491733825.db2.gz XBSJEBRKHFJXQR-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000580596611 491738005 /nfs/dbraw/zinc/73/80/05/491738005.db2.gz BCULDJPSDKNYRJ-HNNXBMFYSA-N 2 2 355.508 0.898 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000580713521 491742705 /nfs/dbraw/zinc/74/27/05/491742705.db2.gz VMSWXHAOGYZWQS-LBPRGKRZSA-N 2 2 353.492 0.772 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000580713521 491742707 /nfs/dbraw/zinc/74/27/07/491742707.db2.gz VMSWXHAOGYZWQS-LBPRGKRZSA-N 2 2 353.492 0.772 20 0 FCADLP CSCC[C@@H](C)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236847 491742868 /nfs/dbraw/zinc/74/28/68/491742868.db2.gz OMCGQARIGLYXDK-HUUCEWRRSA-N 2 2 370.563 0.871 20 0 FCADLP CSCC[C@@H](C)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236847 491742869 /nfs/dbraw/zinc/74/28/69/491742869.db2.gz OMCGQARIGLYXDK-HUUCEWRRSA-N 2 2 370.563 0.871 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889305 491750304 /nfs/dbraw/zinc/75/03/04/491750304.db2.gz WNSSGHWRAONNKN-HXUWFJFHSA-N 3 2 374.529 0.929 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889305 491750305 /nfs/dbraw/zinc/75/03/05/491750305.db2.gz WNSSGHWRAONNKN-HXUWFJFHSA-N 3 2 374.529 0.929 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C[C@@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021276 491755968 /nfs/dbraw/zinc/75/59/68/491755968.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C[C@@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021276 491755970 /nfs/dbraw/zinc/75/59/70/491755970.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C[C@@H](O)C[N@H+](C)CCOC)CC2)CC1 ZINC000581021276 491755971 /nfs/dbraw/zinc/75/59/71/491755971.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C[C@@H](O)C[N@@H+](C)CCOC)CC2)CC1 ZINC000581021276 491755973 /nfs/dbraw/zinc/75/59/73/491755973.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021276 491755975 /nfs/dbraw/zinc/75/59/75/491755975.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021276 491755976 /nfs/dbraw/zinc/75/59/76/491755976.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC2)CC1 ZINC000581021276 491755978 /nfs/dbraw/zinc/75/59/78/491755978.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC2)CC1 ZINC000581021276 491755980 /nfs/dbraw/zinc/75/59/80/491755980.db2.gz VBLOEQUJWIKNBS-IBGZPJMESA-N 3 2 356.555 0.418 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000581126281 491760237 /nfs/dbraw/zinc/76/02/37/491760237.db2.gz BAUCLNNDUYDPHL-XHSDSOJGSA-N 2 2 371.503 0.025 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000581126281 491760238 /nfs/dbraw/zinc/76/02/38/491760238.db2.gz BAUCLNNDUYDPHL-XHSDSOJGSA-N 2 2 371.503 0.025 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000581366991 491770093 /nfs/dbraw/zinc/77/00/93/491770093.db2.gz DUMHZTALVYNLBJ-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000581366991 491770094 /nfs/dbraw/zinc/77/00/94/491770094.db2.gz DUMHZTALVYNLBJ-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000590819039 491787462 /nfs/dbraw/zinc/78/74/62/491787462.db2.gz VBGGPFKIEGXPJU-GDBMZVCRSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000590819039 491787463 /nfs/dbraw/zinc/78/74/63/491787463.db2.gz VBGGPFKIEGXPJU-GDBMZVCRSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581895761 491789575 /nfs/dbraw/zinc/78/95/75/491789575.db2.gz OUQKIYHXITXGLY-WQGACYEGSA-N 2 2 366.412 0.256 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581895761 491789577 /nfs/dbraw/zinc/78/95/77/491789577.db2.gz OUQKIYHXITXGLY-WQGACYEGSA-N 2 2 366.412 0.256 20 0 FCADLP CS[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982596 491790945 /nfs/dbraw/zinc/79/09/45/491790945.db2.gz AXLVUZJOGQBGRO-HOTGVXAUSA-N 2 2 368.547 0.577 20 0 FCADLP CS[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982596 491790947 /nfs/dbraw/zinc/79/09/47/491790947.db2.gz AXLVUZJOGQBGRO-HOTGVXAUSA-N 2 2 368.547 0.577 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1C ZINC000581954806 491791976 /nfs/dbraw/zinc/79/19/76/491791976.db2.gz KKZZCVCWFXFGBR-GJZGRUSLSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1C ZINC000581954806 491791977 /nfs/dbraw/zinc/79/19/77/491791977.db2.gz KKZZCVCWFXFGBR-GJZGRUSLSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CS(=O)(=O)CCO3)c2cc1C ZINC000582058256 491796157 /nfs/dbraw/zinc/79/61/57/491796157.db2.gz UWLRDUMRDDMFPE-HUUCEWRRSA-N 2 2 367.471 0.417 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+](C)C1 ZINC000591149808 491797550 /nfs/dbraw/zinc/79/75/50/491797550.db2.gz DYHNYOPSYMZPDC-KRWDZBQOSA-N 2 2 360.458 0.748 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+](C)C1 ZINC000591149808 491797551 /nfs/dbraw/zinc/79/75/51/491797551.db2.gz DYHNYOPSYMZPDC-KRWDZBQOSA-N 2 2 360.458 0.748 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000582116356 491798569 /nfs/dbraw/zinc/79/85/69/491798569.db2.gz YQPMFRREKMRHTL-RCCFBDPRSA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000582116356 491798570 /nfs/dbraw/zinc/79/85/70/491798570.db2.gz YQPMFRREKMRHTL-RCCFBDPRSA-N 2 2 356.470 0.570 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000582231010 491803142 /nfs/dbraw/zinc/80/31/42/491803142.db2.gz BDSHWIWSHIREEB-OAHLLOKOSA-N 2 2 351.495 0.324 20 0 FCADLP C[NH+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000591538736 491807594 /nfs/dbraw/zinc/80/75/94/491807594.db2.gz MEIGTEOZJXSYKA-UHFFFAOYSA-N 2 2 362.478 0.534 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000582476535 491814105 /nfs/dbraw/zinc/81/41/05/491814105.db2.gz HURRZWWKMSWPBH-ULQDDVLXSA-N 2 2 366.506 0.333 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)C[C@H](C)O1 ZINC000582481756 491814135 /nfs/dbraw/zinc/81/41/35/491814135.db2.gz GJAWOJQUVORSKD-XUWVNRHRSA-N 2 2 352.454 0.859 20 0 FCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000582554194 491817562 /nfs/dbraw/zinc/81/75/62/491817562.db2.gz FXLRRRDGYOHASR-UHFFFAOYSA-N 2 2 371.503 0.538 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000582556241 491817628 /nfs/dbraw/zinc/81/76/28/491817628.db2.gz VHOKUTWUDNVPJW-INIZCTEOSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC(F)(F)C[NH3+])cc2)CC1 ZINC000582613796 491820077 /nfs/dbraw/zinc/82/00/77/491820077.db2.gz QYTSLKYIAYJPGZ-UHFFFAOYSA-N 2 2 354.401 0.926 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000582722326 491823874 /nfs/dbraw/zinc/82/38/74/491823874.db2.gz CUGIFRQABSCNCN-QZTJIDSGSA-N 2 2 374.485 0.353 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000582754706 491825327 /nfs/dbraw/zinc/82/53/27/491825327.db2.gz NMMPZWFWHWZIIP-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000582754706 491825328 /nfs/dbraw/zinc/82/53/28/491825328.db2.gz NMMPZWFWHWZIIP-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1cc(N2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000582841771 491828952 /nfs/dbraw/zinc/82/89/52/491828952.db2.gz BTURQEFZUGVOQZ-HNNXBMFYSA-N 2 2 374.489 0.425 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CCN2C1=O ZINC000582856214 491829609 /nfs/dbraw/zinc/82/96/09/491829609.db2.gz FKVBNCPPAAKTFS-IAGOWNOFSA-N 2 2 368.441 0.385 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000583154510 491839184 /nfs/dbraw/zinc/83/91/84/491839184.db2.gz DAAPZBFRDFOVRF-CABCVRRESA-N 2 2 358.446 0.004 20 0 FCADLP O=C([C@H]1CCCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000583265295 491841308 /nfs/dbraw/zinc/84/13/08/491841308.db2.gz YQMZHIIPGGJIEJ-MRXNPFEDSA-N 2 2 374.489 0.494 20 0 FCADLP O=C([C@H]1CCCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583265295 491841309 /nfs/dbraw/zinc/84/13/09/491841309.db2.gz YQMZHIIPGGJIEJ-MRXNPFEDSA-N 2 2 374.489 0.494 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000583371054 491843531 /nfs/dbraw/zinc/84/35/31/491843531.db2.gz VEXJQTUVFPYUQH-DOTOQJQBSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668503588 493366320 /nfs/dbraw/zinc/36/63/20/493366320.db2.gz LPLAJVMHRJQMDK-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000668503588 493366322 /nfs/dbraw/zinc/36/63/22/493366322.db2.gz LPLAJVMHRJQMDK-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000583476979 491845776 /nfs/dbraw/zinc/84/57/76/491845776.db2.gz BOWSNCOXVHGYLV-HZPDHXFCSA-N 2 2 368.522 0.489 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583527015 491846928 /nfs/dbraw/zinc/84/69/28/491846928.db2.gz KPVDKXHEAWNVBW-GDBMZVCRSA-N 2 2 374.489 0.382 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583527015 491846929 /nfs/dbraw/zinc/84/69/29/491846929.db2.gz KPVDKXHEAWNVBW-GDBMZVCRSA-N 2 2 374.489 0.382 20 0 FCADLP COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000583807608 491852388 /nfs/dbraw/zinc/85/23/88/491852388.db2.gz SFLOKLFVHZIDMC-HLLBOEOZSA-N 2 2 365.474 0.485 20 0 FCADLP COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000583807608 491852389 /nfs/dbraw/zinc/85/23/89/491852389.db2.gz SFLOKLFVHZIDMC-HLLBOEOZSA-N 2 2 365.474 0.485 20 0 FCADLP CCS(=O)(=O)c1ccc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000583811376 491852470 /nfs/dbraw/zinc/85/24/70/491852470.db2.gz WSBJGCZSABGTAK-HNNXBMFYSA-N 2 2 353.488 0.514 20 0 FCADLP CCS(=O)(=O)c1ccc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000583811376 491852471 /nfs/dbraw/zinc/85/24/71/491852471.db2.gz WSBJGCZSABGTAK-HNNXBMFYSA-N 2 2 353.488 0.514 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850460 491853260 /nfs/dbraw/zinc/85/32/60/491853260.db2.gz MWTXLVWGYVKXFR-HIFRSBDPSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850460 491853261 /nfs/dbraw/zinc/85/32/61/491853261.db2.gz MWTXLVWGYVKXFR-HIFRSBDPSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850460 491853263 /nfs/dbraw/zinc/85/32/63/491853263.db2.gz MWTXLVWGYVKXFR-HIFRSBDPSA-N 2 2 359.492 0.266 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000584066899 491857707 /nfs/dbraw/zinc/85/77/07/491857707.db2.gz RPURMURGRZVIKQ-MRXNPFEDSA-N 2 2 357.458 0.668 20 0 FCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584299803 491862563 /nfs/dbraw/zinc/86/25/63/491862563.db2.gz VVXYAXSHXNGWRM-MRXNPFEDSA-N 2 2 356.492 0.479 20 0 FCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584299803 491862564 /nfs/dbraw/zinc/86/25/64/491862564.db2.gz VVXYAXSHXNGWRM-MRXNPFEDSA-N 2 2 356.492 0.479 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874721 491869339 /nfs/dbraw/zinc/86/93/39/491869339.db2.gz QWZFWXZKKCGEHZ-MPKXVKKWSA-N 2 2 368.384 0.859 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874721 491869340 /nfs/dbraw/zinc/86/93/40/491869340.db2.gz QWZFWXZKKCGEHZ-MPKXVKKWSA-N 2 2 368.384 0.859 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874722 491869442 /nfs/dbraw/zinc/86/94/42/491869442.db2.gz QWZFWXZKKCGEHZ-OSMZGAPFSA-N 2 2 368.384 0.859 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874722 491869444 /nfs/dbraw/zinc/86/94/44/491869444.db2.gz QWZFWXZKKCGEHZ-OSMZGAPFSA-N 2 2 368.384 0.859 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)[nH+]c1 ZINC000594882552 491870871 /nfs/dbraw/zinc/87/08/71/491870871.db2.gz VSUBFYCMWZCRBM-HOTGVXAUSA-N 2 2 357.458 0.377 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611838138 491877462 /nfs/dbraw/zinc/87/74/62/491877462.db2.gz GGZLZVJLKMIELI-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611838138 491877463 /nfs/dbraw/zinc/87/74/63/491877463.db2.gz GGZLZVJLKMIELI-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000600778485 491881660 /nfs/dbraw/zinc/88/16/60/491881660.db2.gz ZXJGFAQAARXMTF-UHFFFAOYSA-N 2 2 362.434 0.696 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000612020593 491891642 /nfs/dbraw/zinc/89/16/42/491891642.db2.gz XYFWCNUNSOVKCZ-ZFWWWQNUSA-N 2 2 354.476 0.023 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000601066114 491895952 /nfs/dbraw/zinc/89/59/52/491895952.db2.gz KGHRUCOYPXZFPU-MRXNPFEDSA-N 2 2 355.504 0.493 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000601066114 491895953 /nfs/dbraw/zinc/89/59/53/491895953.db2.gz KGHRUCOYPXZFPU-MRXNPFEDSA-N 2 2 355.504 0.493 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000612057740 491896052 /nfs/dbraw/zinc/89/60/52/491896052.db2.gz QJFGHUPJVFUTJN-HOCLYGCPSA-N 2 2 368.503 0.413 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000601362320 491908910 /nfs/dbraw/zinc/90/89/10/491908910.db2.gz LBSBISJXOUSRFC-OAHLLOKOSA-N 2 2 361.508 0.371 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000612333927 491910681 /nfs/dbraw/zinc/91/06/81/491910681.db2.gz WWDPZAGSFFBFJQ-UHFFFAOYSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000612484343 491924495 /nfs/dbraw/zinc/92/44/95/491924495.db2.gz ASPDBTARQLGFEU-HOTGVXAUSA-N 2 2 361.490 0.973 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000595406373 491929683 /nfs/dbraw/zinc/92/96/83/491929683.db2.gz CXQJXNDAPXQKIO-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000595406373 491929686 /nfs/dbraw/zinc/92/96/86/491929686.db2.gz CXQJXNDAPXQKIO-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543556 491931445 /nfs/dbraw/zinc/93/14/45/491931445.db2.gz QSGAQJBKKBYQRS-MOPGFXCFSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543556 491931448 /nfs/dbraw/zinc/93/14/48/491931448.db2.gz QSGAQJBKKBYQRS-MOPGFXCFSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543556 491931451 /nfs/dbraw/zinc/93/14/51/491931451.db2.gz QSGAQJBKKBYQRS-MOPGFXCFSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543556 491931453 /nfs/dbraw/zinc/93/14/53/491931453.db2.gz QSGAQJBKKBYQRS-MOPGFXCFSA-N 2 2 372.513 0.972 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471861 491934724 /nfs/dbraw/zinc/93/47/24/491934724.db2.gz FQPWJFRCZLTUHY-CVEARBPZSA-N 2 2 353.463 0.337 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471861 491934727 /nfs/dbraw/zinc/93/47/27/491934727.db2.gz FQPWJFRCZLTUHY-CVEARBPZSA-N 2 2 353.463 0.337 20 0 FCADLP CCOC(=O)c1sc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1C ZINC000595897344 491959910 /nfs/dbraw/zinc/95/99/10/491959910.db2.gz UXFARWPHGRRMPW-UHFFFAOYSA-N 2 2 355.460 0.876 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965584 491960316 /nfs/dbraw/zinc/96/03/16/491960316.db2.gz ADOHBWAWODMBDC-WMLDXEAASA-N 2 2 354.520 0.636 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCN3C(=O)CCC3=O)C2)CC1 ZINC000602194323 491966844 /nfs/dbraw/zinc/96/68/44/491966844.db2.gz GTSXNQJMEBLXCH-CQSZACIVSA-N 2 2 350.463 0.200 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCN3C(=O)CCC3=O)C2)CC1 ZINC000602194323 491966845 /nfs/dbraw/zinc/96/68/45/491966845.db2.gz GTSXNQJMEBLXCH-CQSZACIVSA-N 2 2 350.463 0.200 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3nnc4ccccc4c3=O)C2)CC1 ZINC000602200226 491967297 /nfs/dbraw/zinc/96/72/97/491967297.db2.gz HRWDZWUPBUMWCD-AWEZNQCLSA-N 2 2 370.457 0.076 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3nnc4ccccc4c3=O)C2)CC1 ZINC000602200226 491967300 /nfs/dbraw/zinc/96/73/00/491967300.db2.gz HRWDZWUPBUMWCD-AWEZNQCLSA-N 2 2 370.457 0.076 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199292 491967447 /nfs/dbraw/zinc/96/74/47/491967447.db2.gz HPPZWYGVCRCXIP-SUMWQHHRSA-N 2 2 352.504 0.337 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199292 491967448 /nfs/dbraw/zinc/96/74/48/491967448.db2.gz HPPZWYGVCRCXIP-SUMWQHHRSA-N 2 2 352.504 0.337 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602204723 491967806 /nfs/dbraw/zinc/96/78/06/491967806.db2.gz XXQIFSLKUIVFJL-LLVKDONJSA-N 2 2 372.516 0.294 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602204723 491967808 /nfs/dbraw/zinc/96/78/08/491967808.db2.gz XXQIFSLKUIVFJL-LLVKDONJSA-N 2 2 372.516 0.294 20 0 FCADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1OCC(=O)N(C)C ZINC000613361680 491978711 /nfs/dbraw/zinc/97/87/11/491978711.db2.gz ZEUCQONVVCPFEP-INIZCTEOSA-N 2 2 365.474 0.709 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000602514679 491990792 /nfs/dbraw/zinc/99/07/92/491990792.db2.gz UMKKHOFEBYAJIR-RHSMWYFYSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000602514679 491990793 /nfs/dbraw/zinc/99/07/93/491990793.db2.gz UMKKHOFEBYAJIR-RHSMWYFYSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1C ZINC000603428095 492032274 /nfs/dbraw/zinc/03/22/74/492032274.db2.gz JROZUBKINUQCDO-KRWDZBQOSA-N 2 2 364.490 0.698 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163648 492052265 /nfs/dbraw/zinc/05/22/65/492052265.db2.gz NOCQCZARHSABOA-RDJZCZTQSA-N 2 2 359.474 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163648 492052267 /nfs/dbraw/zinc/05/22/67/492052267.db2.gz NOCQCZARHSABOA-RDJZCZTQSA-N 2 2 359.474 0.681 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604651861 492066177 /nfs/dbraw/zinc/06/61/77/492066177.db2.gz TUFUUKNMZAYOFK-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604651861 492066178 /nfs/dbraw/zinc/06/61/78/492066178.db2.gz TUFUUKNMZAYOFK-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604651861 492066179 /nfs/dbraw/zinc/06/61/79/492066179.db2.gz TUFUUKNMZAYOFK-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604651861 492066180 /nfs/dbraw/zinc/06/61/80/492066180.db2.gz TUFUUKNMZAYOFK-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CC[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000615278313 492084556 /nfs/dbraw/zinc/08/45/56/492084556.db2.gz DIUUMXCNTPGPOX-ROUUACIJSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000615278313 492084557 /nfs/dbraw/zinc/08/45/57/492084557.db2.gz DIUUMXCNTPGPOX-ROUUACIJSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000615278313 492084558 /nfs/dbraw/zinc/08/45/58/492084558.db2.gz DIUUMXCNTPGPOX-ROUUACIJSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000615278313 492084560 /nfs/dbraw/zinc/08/45/60/492084560.db2.gz DIUUMXCNTPGPOX-ROUUACIJSA-N 2 2 352.523 0.582 20 0 FCADLP C[NH+](C)CC1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000615504138 492092475 /nfs/dbraw/zinc/09/24/75/492092475.db2.gz OWBBSGRRMLURKX-UHFFFAOYSA-N 2 2 359.474 0.530 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605558410 492098720 /nfs/dbraw/zinc/09/87/20/492098720.db2.gz WCCYCNQJWMEATP-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605558410 492098721 /nfs/dbraw/zinc/09/87/21/492098721.db2.gz WCCYCNQJWMEATP-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(C)(C)CO ZINC000605574829 492099476 /nfs/dbraw/zinc/09/94/76/492099476.db2.gz OLOQAVXCVMNYNC-UHFFFAOYSA-N 2 2 361.486 0.968 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(C)(C)CO ZINC000605574829 492099477 /nfs/dbraw/zinc/09/94/77/492099477.db2.gz OLOQAVXCVMNYNC-UHFFFAOYSA-N 2 2 361.486 0.968 20 0 FCADLP CN(CC(=O)N1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605875703 492104270 /nfs/dbraw/zinc/10/42/70/492104270.db2.gz BGDDYHSDUGPNPM-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP CN(CC(=O)N1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605875703 492104271 /nfs/dbraw/zinc/10/42/71/492104271.db2.gz BGDDYHSDUGPNPM-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605971355 492109673 /nfs/dbraw/zinc/10/96/73/492109673.db2.gz ZSIIACOUAQKGPL-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605971355 492109676 /nfs/dbraw/zinc/10/96/76/492109676.db2.gz ZSIIACOUAQKGPL-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633827 492125307 /nfs/dbraw/zinc/12/53/07/492125307.db2.gz WMWLPQNTXPGUQO-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633827 492125308 /nfs/dbraw/zinc/12/53/08/492125308.db2.gz WMWLPQNTXPGUQO-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000606632993 492125569 /nfs/dbraw/zinc/12/55/69/492125569.db2.gz BXFNNKQUUATESB-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000606632993 492125572 /nfs/dbraw/zinc/12/55/72/492125572.db2.gz BXFNNKQUUATESB-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP CCC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)S(N)(=O)=O ZINC000616381521 492128492 /nfs/dbraw/zinc/12/84/92/492128492.db2.gz TTWATJHWJSIFSM-INIZCTEOSA-N 2 2 374.551 0.462 20 0 FCADLP CCC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)S(N)(=O)=O ZINC000616381521 492128493 /nfs/dbraw/zinc/12/84/93/492128493.db2.gz TTWATJHWJSIFSM-INIZCTEOSA-N 2 2 374.551 0.462 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1=O ZINC000617483488 492170547 /nfs/dbraw/zinc/17/05/47/492170547.db2.gz VAHNLKRKIBVRRH-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C[NH+]1CCN(C)CC1 ZINC000608709082 492188846 /nfs/dbraw/zinc/18/88/46/492188846.db2.gz OULCKLJOVGZVLL-QGZVFWFLSA-N 2 2 363.506 0.990 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000608704394 492188922 /nfs/dbraw/zinc/18/89/22/492188922.db2.gz PSYBSYDERRACCO-IIAWOOMASA-N 2 2 351.495 0.463 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000608704394 492188924 /nfs/dbraw/zinc/18/89/24/492188924.db2.gz PSYBSYDERRACCO-IIAWOOMASA-N 2 2 351.495 0.463 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@H](O)[C@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000608718852 492189570 /nfs/dbraw/zinc/18/95/70/492189570.db2.gz UFPPHQUDVYNQAP-IRXDYDNUSA-N 2 2 368.522 0.633 20 0 FCADLP CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617766810 492190950 /nfs/dbraw/zinc/19/09/50/492190950.db2.gz VSJCJVDLHFFRPW-UHFFFAOYSA-N 2 2 373.523 0.315 20 0 FCADLP CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617766810 492190953 /nfs/dbraw/zinc/19/09/53/492190953.db2.gz VSJCJVDLHFFRPW-UHFFFAOYSA-N 2 2 373.523 0.315 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000609716534 492219579 /nfs/dbraw/zinc/21/95/79/492219579.db2.gz RELDRXUAYXGTEP-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000609716534 492219581 /nfs/dbraw/zinc/21/95/81/492219581.db2.gz RELDRXUAYXGTEP-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609920236 492227591 /nfs/dbraw/zinc/22/75/91/492227591.db2.gz CBYXTTZHGULUFF-XILIYIEPSA-N 2 2 356.536 0.706 20 0 FCADLP C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609920236 492227593 /nfs/dbraw/zinc/22/75/93/492227593.db2.gz CBYXTTZHGULUFF-XILIYIEPSA-N 2 2 356.536 0.706 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600013980 492229945 /nfs/dbraw/zinc/22/99/45/492229945.db2.gz CRYUJOMWAGTRIK-CVEARBPZSA-N 2 2 363.462 0.101 20 0 FCADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[nH+]1 ZINC000641719288 492298263 /nfs/dbraw/zinc/29/82/63/492298263.db2.gz OWYUPZYSBVOLQF-OAHLLOKOSA-N 2 2 372.477 0.453 20 0 FCADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH+]1 ZINC000641719288 492298267 /nfs/dbraw/zinc/29/82/67/492298267.db2.gz OWYUPZYSBVOLQF-OAHLLOKOSA-N 2 2 372.477 0.453 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000647518975 492302838 /nfs/dbraw/zinc/30/28/38/492302838.db2.gz RCZSWYFTJPADBS-HNNXBMFYSA-N 2 2 358.421 0.803 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000647518975 492302841 /nfs/dbraw/zinc/30/28/41/492302841.db2.gz RCZSWYFTJPADBS-HNNXBMFYSA-N 2 2 358.421 0.803 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1(C)C ZINC000641776113 492304134 /nfs/dbraw/zinc/30/41/34/492304134.db2.gz RXBDZJSUOZTKQW-QGZVFWFLSA-N 2 2 356.536 0.930 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1(C)C ZINC000641776113 492304137 /nfs/dbraw/zinc/30/41/37/492304137.db2.gz RXBDZJSUOZTKQW-QGZVFWFLSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C(C)(C)n1cncn1 ZINC000641786677 492305425 /nfs/dbraw/zinc/30/54/25/492305425.db2.gz QXMJELCFEPTAKT-DLBZAZTESA-N 2 2 350.511 0.788 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000627461546 492305562 /nfs/dbraw/zinc/30/55/62/492305562.db2.gz SPJHWFVJRSEFCC-RYQLBKOJSA-N 2 2 358.486 0.976 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000627461546 492305566 /nfs/dbraw/zinc/30/55/66/492305566.db2.gz SPJHWFVJRSEFCC-RYQLBKOJSA-N 2 2 358.486 0.976 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627473707 492311283 /nfs/dbraw/zinc/31/12/83/492311283.db2.gz UAOVHEISVDDQGS-QGZVFWFLSA-N 2 2 374.485 0.214 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627473707 492311285 /nfs/dbraw/zinc/31/12/85/492311285.db2.gz UAOVHEISVDDQGS-QGZVFWFLSA-N 2 2 374.485 0.214 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620479154 492313198 /nfs/dbraw/zinc/31/31/98/492313198.db2.gz OTBXQXZGWMSXRT-ROUUACIJSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620479154 492313200 /nfs/dbraw/zinc/31/32/00/492313200.db2.gz OTBXQXZGWMSXRT-ROUUACIJSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620479154 492313203 /nfs/dbraw/zinc/31/32/03/492313203.db2.gz OTBXQXZGWMSXRT-ROUUACIJSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620479154 492313204 /nfs/dbraw/zinc/31/32/04/492313204.db2.gz OTBXQXZGWMSXRT-ROUUACIJSA-N 2 2 351.491 0.687 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000641915865 492322704 /nfs/dbraw/zinc/32/27/04/492322704.db2.gz PQBABFMCOXKZDX-RFBLXINOSA-N 2 2 350.442 0.192 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000641915865 492322705 /nfs/dbraw/zinc/32/27/05/492322705.db2.gz PQBABFMCOXKZDX-RFBLXINOSA-N 2 2 350.442 0.192 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CN3CCCC[C@H](O)C3=O)c2)CC1 ZINC000634194835 492326005 /nfs/dbraw/zinc/32/60/05/492326005.db2.gz QXXUHEVUAJXXFL-HNNXBMFYSA-N 2 2 361.446 0.145 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CN3CCN(C4CC4)C3=O)c2)CC1 ZINC000634195170 492326425 /nfs/dbraw/zinc/32/64/25/492326425.db2.gz UVIZNOHYYLUBFP-UHFFFAOYSA-N 2 2 358.446 0.672 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634298644 492335180 /nfs/dbraw/zinc/33/51/80/492335180.db2.gz WLPUFRUYFUXMNI-SJORKVTESA-N 2 2 365.522 0.857 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000654660892 492336365 /nfs/dbraw/zinc/33/63/65/492336365.db2.gz KBBHGTZWUOKBKR-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000654660892 492336368 /nfs/dbraw/zinc/33/63/68/492336368.db2.gz KBBHGTZWUOKBKR-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654728808 492343492 /nfs/dbraw/zinc/34/34/92/492343492.db2.gz BGNCNSZXZIEHDV-CABCVRRESA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654728808 492343495 /nfs/dbraw/zinc/34/34/95/492343495.db2.gz BGNCNSZXZIEHDV-CABCVRRESA-N 2 2 351.495 0.594 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000647691691 492346155 /nfs/dbraw/zinc/34/61/55/492346155.db2.gz YUIWWPDPUTYRDB-LSDHHAIUSA-N 2 2 351.451 0.366 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000647691691 492346158 /nfs/dbraw/zinc/34/61/58/492346158.db2.gz YUIWWPDPUTYRDB-LSDHHAIUSA-N 2 2 351.451 0.366 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](CCc3cnccn3)CC1)C2 ZINC000634508858 492347222 /nfs/dbraw/zinc/34/72/22/492347222.db2.gz OSFILUOEVBLKCP-INIZCTEOSA-N 2 2 354.458 0.931 20 0 FCADLP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773603 492349655 /nfs/dbraw/zinc/34/96/55/492349655.db2.gz DZQKPBQGUDJCFW-KRWDZBQOSA-N 3 2 362.522 0.685 20 0 FCADLP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773603 492349660 /nfs/dbraw/zinc/34/96/60/492349660.db2.gz DZQKPBQGUDJCFW-KRWDZBQOSA-N 3 2 362.522 0.685 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000642337457 492352665 /nfs/dbraw/zinc/35/26/65/492352665.db2.gz JFYHVMMOOZXICS-WCXIOVBPSA-N 2 2 366.506 0.332 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000642337506 492353043 /nfs/dbraw/zinc/35/30/43/492353043.db2.gz RRTJDGCCBAZQRY-ZACQAIPSSA-N 2 2 368.522 0.578 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000642337525 492353091 /nfs/dbraw/zinc/35/30/91/492353091.db2.gz XGOPOTMJXHZWKP-UGUYLWEFSA-N 2 2 352.479 0.132 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642519127 492360980 /nfs/dbraw/zinc/36/09/80/492360980.db2.gz FZJHDYZBCYHGQD-BXUZGUMPSA-N 2 2 361.833 0.814 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1S(N)(=O)=O ZINC000647815149 492364749 /nfs/dbraw/zinc/36/47/49/492364749.db2.gz RFGNOKPCDPUGKQ-UHFFFAOYSA-N 2 2 366.487 0.797 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1S(N)(=O)=O ZINC000647815149 492364755 /nfs/dbraw/zinc/36/47/55/492364755.db2.gz RFGNOKPCDPUGKQ-UHFFFAOYSA-N 2 2 366.487 0.797 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621279742 492368779 /nfs/dbraw/zinc/36/87/79/492368779.db2.gz BDSOZBBLSHVMBJ-CZUORRHYSA-N 2 2 367.457 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621279742 492368782 /nfs/dbraw/zinc/36/87/82/492368782.db2.gz BDSOZBBLSHVMBJ-CZUORRHYSA-N 2 2 367.457 0.830 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(c3cc(N4CCSCC4)[nH+]cn3)C2)nn1 ZINC000634810580 492370401 /nfs/dbraw/zinc/37/04/01/492370401.db2.gz BGYBFVUDSBOZCJ-CQSZACIVSA-N 2 2 360.491 0.922 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(c3cc(N4CCSCC4)nc[nH+]3)C2)nn1 ZINC000634810580 492370402 /nfs/dbraw/zinc/37/04/02/492370402.db2.gz BGYBFVUDSBOZCJ-CQSZACIVSA-N 2 2 360.491 0.922 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657851 492371131 /nfs/dbraw/zinc/37/11/31/492371131.db2.gz IPPPFKRCHXVVHY-ZWKOTPCHSA-N 2 2 370.538 0.999 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657851 492371133 /nfs/dbraw/zinc/37/11/33/492371133.db2.gz IPPPFKRCHXVVHY-ZWKOTPCHSA-N 2 2 370.538 0.999 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657850 492371195 /nfs/dbraw/zinc/37/11/95/492371195.db2.gz IPPPFKRCHXVVHY-ROUUACIJSA-N 2 2 370.538 0.999 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657850 492371197 /nfs/dbraw/zinc/37/11/97/492371197.db2.gz IPPPFKRCHXVVHY-ROUUACIJSA-N 2 2 370.538 0.999 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c[nH+]1 ZINC000642687091 492373369 /nfs/dbraw/zinc/37/33/69/492373369.db2.gz JPRQZOSUMHYIBF-CVEARBPZSA-N 2 2 359.474 0.754 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[C@H]1[NH3+] ZINC000642687075 492373703 /nfs/dbraw/zinc/37/37/03/492373703.db2.gz IHWJYRGIZRFQLW-JKSUJKDBSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642705199 492375894 /nfs/dbraw/zinc/37/58/94/492375894.db2.gz IEURXHZORJLBBI-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP CCNC(=O)COc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1OC ZINC000635001374 492376038 /nfs/dbraw/zinc/37/60/38/492376038.db2.gz QUXQOIZKHNTDGQ-UHFFFAOYSA-N 2 2 365.474 0.756 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000647925755 492383656 /nfs/dbraw/zinc/38/36/56/492383656.db2.gz WEOZAIRMGWEQTC-OLZOCXBDSA-N 2 2 368.503 0.713 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647934761 492385691 /nfs/dbraw/zinc/38/56/91/492385691.db2.gz PBNIKRQQPXNGCM-OCCSQVGLSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647934761 492385695 /nfs/dbraw/zinc/38/56/95/492385695.db2.gz PBNIKRQQPXNGCM-OCCSQVGLSA-N 2 2 354.476 0.640 20 0 FCADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000621491984 492386229 /nfs/dbraw/zinc/38/62/29/492386229.db2.gz PJISXDVDEZJSBN-UHFFFAOYSA-N 2 2 358.364 0.425 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[C@H]1c1[nH+]ccn1C ZINC000627796173 492389067 /nfs/dbraw/zinc/38/90/67/492389067.db2.gz JDIHYFWQSOEXAB-BPUTZDHNSA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[C@H]1c1[nH+]ccn1C ZINC000627796173 492389071 /nfs/dbraw/zinc/38/90/71/492389071.db2.gz JDIHYFWQSOEXAB-BPUTZDHNSA-N 2 2 363.462 0.261 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000654996426 492389775 /nfs/dbraw/zinc/38/97/75/492389775.db2.gz FZSLZFJPIKQHEO-KSZLIROESA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000654996426 492389781 /nfs/dbraw/zinc/38/97/81/492389781.db2.gz FZSLZFJPIKQHEO-KSZLIROESA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000654996426 492389783 /nfs/dbraw/zinc/38/97/83/492389783.db2.gz FZSLZFJPIKQHEO-KSZLIROESA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000654996426 492389787 /nfs/dbraw/zinc/38/97/87/492389787.db2.gz FZSLZFJPIKQHEO-KSZLIROESA-N 2 2 369.554 0.355 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635122070 492396005 /nfs/dbraw/zinc/39/60/05/492396005.db2.gz KHJHQORMVHKBBZ-INIZCTEOSA-N 2 2 374.489 0.659 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635122070 492396009 /nfs/dbraw/zinc/39/60/09/492396009.db2.gz KHJHQORMVHKBBZ-INIZCTEOSA-N 2 2 374.489 0.659 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000642893675 492397662 /nfs/dbraw/zinc/39/76/62/492397662.db2.gz UJPAERAIFDKCJT-INIZCTEOSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000642893675 492397663 /nfs/dbraw/zinc/39/76/63/492397663.db2.gz UJPAERAIFDKCJT-INIZCTEOSA-N 2 2 358.486 0.835 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000642898400 492398081 /nfs/dbraw/zinc/39/80/81/492398081.db2.gz XILVVCOKADIQJH-INIZCTEOSA-N 2 2 360.458 0.126 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000642902282 492399315 /nfs/dbraw/zinc/39/93/15/492399315.db2.gz OOGVQGISZCWSIK-SFHVURJKSA-N 2 2 358.486 0.898 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000642906231 492400461 /nfs/dbraw/zinc/40/04/61/492400461.db2.gz ARIVHUNXECZLHI-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000642906231 492400462 /nfs/dbraw/zinc/40/04/62/492400462.db2.gz ARIVHUNXECZLHI-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642908966 492401598 /nfs/dbraw/zinc/40/15/98/492401598.db2.gz CTCDMJFGCSXOLR-JKSUJKDBSA-N 2 2 362.474 0.199 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000642908963 492401652 /nfs/dbraw/zinc/40/16/52/492401652.db2.gz CTCDMJFGCSXOLR-CVEARBPZSA-N 2 2 362.474 0.199 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000642914282 492402890 /nfs/dbraw/zinc/40/28/90/492402890.db2.gz XZSZOYQNHGCLDC-UHFFFAOYSA-N 2 2 362.474 0.374 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642940941 492405768 /nfs/dbraw/zinc/40/57/68/492405768.db2.gz NBAVKLZZMUAVIG-DOTOQJQBSA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642940941 492405773 /nfs/dbraw/zinc/40/57/73/492405773.db2.gz NBAVKLZZMUAVIG-DOTOQJQBSA-N 3 2 367.538 0.103 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000648150248 492408756 /nfs/dbraw/zinc/40/87/56/492408756.db2.gz CJDKWIBBISQUKK-UHFFFAOYSA-N 2 2 361.490 0.697 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000648150248 492408761 /nfs/dbraw/zinc/40/87/61/492408761.db2.gz CJDKWIBBISQUKK-UHFFFAOYSA-N 2 2 361.490 0.697 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)C2 ZINC000621837463 492420770 /nfs/dbraw/zinc/42/07/70/492420770.db2.gz IPMZGNPLJREKFP-KXBFYZLASA-N 2 2 353.426 0.828 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c[nH+]1 ZINC000621841582 492423621 /nfs/dbraw/zinc/42/36/21/492423621.db2.gz XBVSOQPNOPEQPG-BEFAXECRSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(N3CCCC3)[nH+]c1)C2 ZINC000621841398 492423799 /nfs/dbraw/zinc/42/37/99/492423799.db2.gz VBJASYYLZJSLPC-KXBFYZLASA-N 2 2 357.458 0.638 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCO[C@@H]3C)CC2)CC1 ZINC000643401861 492449320 /nfs/dbraw/zinc/44/93/20/492449320.db2.gz BNTZNONAIDHUKO-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCO[C@@H]3C)CC2)CC1 ZINC000643401861 492449323 /nfs/dbraw/zinc/44/93/23/492449323.db2.gz BNTZNONAIDHUKO-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)CC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000635456072 492451387 /nfs/dbraw/zinc/45/13/87/492451387.db2.gz LKKNDEROLRXHKU-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000635494930 492457767 /nfs/dbraw/zinc/45/77/67/492457767.db2.gz OYSQBHBTYONPPQ-OAHLLOKOSA-N 2 2 361.490 0.785 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000628104058 492464805 /nfs/dbraw/zinc/46/48/05/492464805.db2.gz FUCQVNVTDNJRNY-HNNXBMFYSA-N 2 2 357.414 0.208 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000628104058 492464807 /nfs/dbraw/zinc/46/48/07/492464807.db2.gz FUCQVNVTDNJRNY-HNNXBMFYSA-N 2 2 357.414 0.208 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000643476973 492474473 /nfs/dbraw/zinc/47/44/73/492474473.db2.gz KVORILUBMHBNFS-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP Cc1cn2ccc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2[nH+]1 ZINC000635573467 492475380 /nfs/dbraw/zinc/47/53/80/492475380.db2.gz VVPQCIGMZLQGQQ-QGZVFWFLSA-N 2 2 357.458 0.779 20 0 FCADLP Cc1cn2ccc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2[nH+]1 ZINC000635573467 492475383 /nfs/dbraw/zinc/47/53/83/492475383.db2.gz VVPQCIGMZLQGQQ-QGZVFWFLSA-N 2 2 357.458 0.779 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000643479753 492476003 /nfs/dbraw/zinc/47/60/03/492476003.db2.gz VJTMXLQYOGBHAC-HOTGVXAUSA-N 2 2 364.515 0.978 20 0 FCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1CCSCC1 ZINC000655710709 492478511 /nfs/dbraw/zinc/47/85/11/492478511.db2.gz CTDNXTXYRWCOBD-OAHLLOKOSA-N 2 2 363.549 0.208 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000655734708 492478766 /nfs/dbraw/zinc/47/87/66/492478766.db2.gz MOGRUVQAILODEL-OAHLLOKOSA-N 2 2 354.476 0.203 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000643512294 492485561 /nfs/dbraw/zinc/48/55/61/492485561.db2.gz CROXRHAGIOTYRR-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000643512294 492485566 /nfs/dbraw/zinc/48/55/66/492485566.db2.gz CROXRHAGIOTYRR-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643515255 492487279 /nfs/dbraw/zinc/48/72/79/492487279.db2.gz VKJSNMHZGQTHQD-JFIYKMOQSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643515255 492487284 /nfs/dbraw/zinc/48/72/84/492487284.db2.gz VKJSNMHZGQTHQD-JFIYKMOQSA-N 2 2 374.485 0.294 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000643524349 492490137 /nfs/dbraw/zinc/49/01/37/492490137.db2.gz KFACZVOHCLPPQU-MRXNPFEDSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000643563119 492498422 /nfs/dbraw/zinc/49/84/22/492498422.db2.gz IYCMGJKVRXPAIR-RYRKJORJSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000643563119 492498426 /nfs/dbraw/zinc/49/84/26/492498426.db2.gz IYCMGJKVRXPAIR-RYRKJORJSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563218 492498897 /nfs/dbraw/zinc/49/88/97/492498897.db2.gz NOXJOJSUPCBVQF-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563218 492498899 /nfs/dbraw/zinc/49/88/99/492498899.db2.gz NOXJOJSUPCBVQF-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643591787 492501564 /nfs/dbraw/zinc/50/15/64/492501564.db2.gz KADCWSHRNBXLTL-JYJNAYRXSA-N 2 2 352.479 0.038 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000643592726 492502883 /nfs/dbraw/zinc/50/28/83/492502883.db2.gz BOUDJSPGFZFQDJ-HNNXBMFYSA-N 2 2 362.474 0.453 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643592893 492502988 /nfs/dbraw/zinc/50/29/88/492502988.db2.gz IQRBXLNWZRAXGB-INIZCTEOSA-N 2 2 364.515 0.993 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(C[NH+]3CCOCC3)cn1)CCO2 ZINC000649129715 492503828 /nfs/dbraw/zinc/50/38/28/492503828.db2.gz HTVCTGOPVLXLFR-UHFFFAOYSA-N 2 2 374.485 0.851 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)[C@H](C[NH3+])C1 ZINC000623066251 492504856 /nfs/dbraw/zinc/50/48/56/492504856.db2.gz CFYFSDJKSSDIQJ-OAHLLOKOSA-N 2 2 355.446 0.998 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)[C@H](C[NH3+])C1 ZINC000623066251 492504858 /nfs/dbraw/zinc/50/48/58/492504858.db2.gz CFYFSDJKSSDIQJ-OAHLLOKOSA-N 2 2 355.446 0.998 20 0 FCADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649279331 492519157 /nfs/dbraw/zinc/51/91/57/492519157.db2.gz GIUDUEFNFFNOTM-INIZCTEOSA-N 2 2 356.430 0.897 20 0 FCADLP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000623176015 492523350 /nfs/dbraw/zinc/52/33/50/492523350.db2.gz ZOLLJHWEWSNJSX-LBPRGKRZSA-N 2 2 363.443 0.321 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)c[nH+]2)CCO1 ZINC000649289238 492523837 /nfs/dbraw/zinc/52/38/37/492523837.db2.gz CXMOBGGZCKZDOO-DZGCQCFKSA-N 2 2 371.445 0.363 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000635923049 492528754 /nfs/dbraw/zinc/52/87/54/492528754.db2.gz ZPXKQNCJMKMREM-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000635923049 492528756 /nfs/dbraw/zinc/52/87/56/492528756.db2.gz ZPXKQNCJMKMREM-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)nn1 ZINC000649318349 492531431 /nfs/dbraw/zinc/53/14/31/492531431.db2.gz AUZIXQYHBNYBSU-DZGCQCFKSA-N 2 2 355.402 0.575 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077855 492539178 /nfs/dbraw/zinc/53/91/78/492539178.db2.gz XRMGFYVKMNAEEW-UUAJXVIYSA-N 2 2 368.522 0.541 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077855 492539182 /nfs/dbraw/zinc/53/91/82/492539182.db2.gz XRMGFYVKMNAEEW-UUAJXVIYSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077855 492539186 /nfs/dbraw/zinc/53/91/86/492539186.db2.gz XRMGFYVKMNAEEW-UUAJXVIYSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077855 492539191 /nfs/dbraw/zinc/53/91/91/492539191.db2.gz XRMGFYVKMNAEEW-UUAJXVIYSA-N 2 2 368.522 0.541 20 0 FCADLP COC[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000649351289 492544483 /nfs/dbraw/zinc/54/44/83/492544483.db2.gz HRPHTGNEOZSVQZ-IBGZPJMESA-N 2 2 364.465 0.833 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000649408632 492551527 /nfs/dbraw/zinc/55/15/27/492551527.db2.gz YODGIEAQBODPEQ-UHFFFAOYSA-N 2 2 360.458 0.007 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCO1 ZINC000649410611 492552292 /nfs/dbraw/zinc/55/22/92/492552292.db2.gz KISWZJDYSSXLDS-GOEBONIOSA-N 2 2 352.504 0.440 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649411313 492552641 /nfs/dbraw/zinc/55/26/41/492552641.db2.gz HGCFBTSXUCGJMV-UHFFFAOYSA-N 2 2 360.502 0.943 20 0 FCADLP Cn1cc(-c2nc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cs2)cn1 ZINC000649415821 492552710 /nfs/dbraw/zinc/55/27/10/492552710.db2.gz NNTWJSYQLRQFRB-OAHLLOKOSA-N 2 2 360.487 0.940 20 0 FCADLP Cn1cc(-c2nc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cs2)cn1 ZINC000649415821 492552711 /nfs/dbraw/zinc/55/27/11/492552711.db2.gz NNTWJSYQLRQFRB-OAHLLOKOSA-N 2 2 360.487 0.940 20 0 FCADLP C[N@@H+]1CC[C@@](N)(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799367 492564224 /nfs/dbraw/zinc/56/42/24/492564224.db2.gz ZVTBKPSIQIDSLI-KXBFYZLASA-N 2 2 359.474 0.695 20 0 FCADLP C[N@H+]1CC[C@@](N)(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799367 492564229 /nfs/dbraw/zinc/56/42/29/492564229.db2.gz ZVTBKPSIQIDSLI-KXBFYZLASA-N 2 2 359.474 0.695 20 0 FCADLP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000643799237 492564244 /nfs/dbraw/zinc/56/42/44/492564244.db2.gz ASQRGYSSWDUKIJ-HZPDHXFCSA-N 2 2 360.458 0.898 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000636313525 492579037 /nfs/dbraw/zinc/57/90/37/492579037.db2.gz DLKMXBYBHPBKNA-GOSISDBHSA-N 2 2 374.485 0.502 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000636313525 492579041 /nfs/dbraw/zinc/57/90/41/492579041.db2.gz DLKMXBYBHPBKNA-GOSISDBHSA-N 2 2 374.485 0.502 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649760300 492581003 /nfs/dbraw/zinc/58/10/03/492581003.db2.gz MQDZUPQFMBAXMF-IAGOWNOFSA-N 2 2 369.506 0.219 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649760300 492581008 /nfs/dbraw/zinc/58/10/08/492581008.db2.gz MQDZUPQFMBAXMF-IAGOWNOFSA-N 2 2 369.506 0.219 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000656333807 492598473 /nfs/dbraw/zinc/59/84/73/492598473.db2.gz LGWWQQGXHWIROY-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000656333807 492598474 /nfs/dbraw/zinc/59/84/74/492598474.db2.gz LGWWQQGXHWIROY-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CN1CCN(c2cc(N3CCC([C@@H]4CCC[NH2+]C4)CC3)[nH+]cn2)CC1=O ZINC000656608845 492636630 /nfs/dbraw/zinc/63/66/30/492636630.db2.gz NJTHJQHPTPELEK-MRXNPFEDSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC([C@@H]4CCC[NH2+]C4)CC3)nc[nH+]2)CC1=O ZINC000656608845 492636636 /nfs/dbraw/zinc/63/66/36/492636636.db2.gz NJTHJQHPTPELEK-MRXNPFEDSA-N 2 2 358.490 0.971 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccccn3)C2)nn1 ZINC000629541133 492642581 /nfs/dbraw/zinc/64/25/81/492642581.db2.gz ZWLONCPJJMDQTH-AWEZNQCLSA-N 2 2 350.448 0.243 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccccn3)C2)nn1 ZINC000629541133 492642582 /nfs/dbraw/zinc/64/25/82/492642582.db2.gz ZWLONCPJJMDQTH-AWEZNQCLSA-N 2 2 350.448 0.243 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000629558691 492644753 /nfs/dbraw/zinc/64/47/53/492644753.db2.gz LVGLJRZRPCVITA-QGZVFWFLSA-N 3 2 361.490 0.167 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629557746 492644822 /nfs/dbraw/zinc/64/48/22/492644822.db2.gz VPBMHBJJAXTAJA-INIZCTEOSA-N 2 2 371.503 0.158 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000650560348 492650101 /nfs/dbraw/zinc/65/01/01/492650101.db2.gz CJSVCKGDOOOQNN-UHFFFAOYSA-N 2 2 372.510 0.087 20 0 FCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650559758 492650545 /nfs/dbraw/zinc/65/05/45/492650545.db2.gz KHIOUNISNHGERR-MOPGFXCFSA-N 2 2 374.485 0.348 20 0 FCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650559758 492650548 /nfs/dbraw/zinc/65/05/48/492650548.db2.gz KHIOUNISNHGERR-MOPGFXCFSA-N 2 2 374.485 0.348 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650559758 492650552 /nfs/dbraw/zinc/65/05/52/492650552.db2.gz KHIOUNISNHGERR-MOPGFXCFSA-N 2 2 374.485 0.348 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650559758 492650556 /nfs/dbraw/zinc/65/05/56/492650556.db2.gz KHIOUNISNHGERR-MOPGFXCFSA-N 2 2 374.485 0.348 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000650589205 492652530 /nfs/dbraw/zinc/65/25/30/492652530.db2.gz XBFCSZDOWKYUQV-UHFFFAOYSA-N 2 2 356.511 0.853 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000650611358 492654294 /nfs/dbraw/zinc/65/42/94/492654294.db2.gz ITFHBHZQZQKVJF-MSOLQXFVSA-N 2 2 368.522 0.584 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000650611358 492654297 /nfs/dbraw/zinc/65/42/97/492654297.db2.gz ITFHBHZQZQKVJF-MSOLQXFVSA-N 2 2 368.522 0.584 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000650642066 492657478 /nfs/dbraw/zinc/65/74/78/492657478.db2.gz SFSUSSZIQUJOMR-UHFFFAOYSA-N 2 2 365.478 0.638 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636688384 492661743 /nfs/dbraw/zinc/66/17/43/492661743.db2.gz IAUXFPQKOQWFQP-QGZVFWFLSA-N 2 2 351.451 0.107 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636688384 492661746 /nfs/dbraw/zinc/66/17/46/492661746.db2.gz IAUXFPQKOQWFQP-QGZVFWFLSA-N 2 2 351.451 0.107 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636707991 492667390 /nfs/dbraw/zinc/66/73/90/492667390.db2.gz ZUUQVVUOVPUSHB-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636707991 492667393 /nfs/dbraw/zinc/66/73/93/492667393.db2.gz ZUUQVVUOVPUSHB-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N(C)CCOCC[NH3+])c1C ZINC000629793515 492674419 /nfs/dbraw/zinc/67/44/19/492674419.db2.gz DVGLJPIZTLZYTD-UHFFFAOYSA-N 2 2 352.435 0.099 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000629805499 492681431 /nfs/dbraw/zinc/68/14/31/492681431.db2.gz RMOZTHCUOKLOJB-GOSISDBHSA-N 2 2 358.486 0.787 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000629805499 492681436 /nfs/dbraw/zinc/68/14/36/492681436.db2.gz RMOZTHCUOKLOJB-GOSISDBHSA-N 2 2 358.486 0.787 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000650970973 492689333 /nfs/dbraw/zinc/68/93/33/492689333.db2.gz JKMBBXBBDZBNCF-INIZCTEOSA-N 2 2 358.527 0.953 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)CC1 ZINC000650994923 492692442 /nfs/dbraw/zinc/69/24/42/492692442.db2.gz WGLRMVRMZBCDQB-HZPDHXFCSA-N 2 2 354.495 0.600 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@](C)(CO)[C@](C)(CO)C3)C2)CC1 ZINC000636792592 492694315 /nfs/dbraw/zinc/69/43/15/492694315.db2.gz XQIVVNWWKXNHQG-LZQZEXGQSA-N 2 2 368.522 0.177 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@](C)(CO)[C@](C)(CO)C3)C2)CC1 ZINC000636792592 492694318 /nfs/dbraw/zinc/69/43/18/492694318.db2.gz XQIVVNWWKXNHQG-LZQZEXGQSA-N 2 2 368.522 0.177 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCN(C)C1=O ZINC000636791228 492694392 /nfs/dbraw/zinc/69/43/92/492694392.db2.gz DVHMBVSTAZEMSI-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCN(C)C1=O ZINC000636791228 492694394 /nfs/dbraw/zinc/69/43/94/492694394.db2.gz DVHMBVSTAZEMSI-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629912906 492702866 /nfs/dbraw/zinc/70/28/66/492702866.db2.gz ATFSNSCDDALGOZ-YJBOKZPZSA-N 2 2 364.465 0.519 20 0 FCADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629912906 492702870 /nfs/dbraw/zinc/70/28/70/492702870.db2.gz ATFSNSCDDALGOZ-YJBOKZPZSA-N 2 2 364.465 0.519 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2C[C@H](OC)C[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000644338420 492714594 /nfs/dbraw/zinc/71/45/94/492714594.db2.gz OROSAYHYPONSTR-CABCVRRESA-N 2 2 351.451 0.992 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000657090851 492714838 /nfs/dbraw/zinc/71/48/38/492714838.db2.gz IMPHKOGGKWMSGH-UHFFFAOYSA-N 3 2 356.536 0.910 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000657090851 492714840 /nfs/dbraw/zinc/71/48/40/492714840.db2.gz IMPHKOGGKWMSGH-UHFFFAOYSA-N 3 2 356.536 0.910 20 0 FCADLP CCc1nn(C)c(CC)c1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091257 492715368 /nfs/dbraw/zinc/71/53/68/492715368.db2.gz LBKCHVRTVRZEPY-UHFFFAOYSA-N 2 2 359.540 0.707 20 0 FCADLP CCc1nn(C)c(CC)c1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091257 492715371 /nfs/dbraw/zinc/71/53/71/492715371.db2.gz LBKCHVRTVRZEPY-UHFFFAOYSA-N 2 2 359.540 0.707 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000657091622 492715677 /nfs/dbraw/zinc/71/56/77/492715677.db2.gz NIERRLLJDATUEO-UHFFFAOYSA-N 2 2 369.531 0.967 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000657091622 492715680 /nfs/dbraw/zinc/71/56/80/492715680.db2.gz NIERRLLJDATUEO-UHFFFAOYSA-N 2 2 369.531 0.967 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000636902019 492724605 /nfs/dbraw/zinc/72/46/05/492724605.db2.gz HDYARNXYLOHLJL-QGZVFWFLSA-N 2 2 357.458 0.992 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000636902019 492724609 /nfs/dbraw/zinc/72/46/09/492724609.db2.gz HDYARNXYLOHLJL-QGZVFWFLSA-N 2 2 357.458 0.992 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000637094547 492766794 /nfs/dbraw/zinc/76/67/94/492766794.db2.gz QDJIABINEUUTEP-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000637094547 492766797 /nfs/dbraw/zinc/76/67/97/492766797.db2.gz QDJIABINEUUTEP-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@@H](C)O1 ZINC000644515743 492780218 /nfs/dbraw/zinc/78/02/18/492780218.db2.gz YSYIVBWBESWCEL-IIDMSEBBSA-N 2 2 365.474 0.944 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743478 492787630 /nfs/dbraw/zinc/78/76/30/492787630.db2.gz CCXZSTOPYKSQLS-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1CC ZINC000644596451 492790235 /nfs/dbraw/zinc/79/02/35/492790235.db2.gz ZERKRWLYDHFTRU-IHRRRGAJSA-N 2 2 352.479 0.867 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000637212932 492790971 /nfs/dbraw/zinc/79/09/71/492790971.db2.gz VYJXPRHLYJHDSB-IBGZPJMESA-N 2 2 373.457 0.749 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000637212932 492790975 /nfs/dbraw/zinc/79/09/75/492790975.db2.gz VYJXPRHLYJHDSB-IBGZPJMESA-N 2 2 373.457 0.749 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3CN(S(C)(=O)=O)C3)c2cc1C ZINC000644627219 492793064 /nfs/dbraw/zinc/79/30/64/492793064.db2.gz UYCIUTAHYONKCH-OAHLLOKOSA-N 2 2 366.487 0.495 20 0 FCADLP CCn1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000657823195 492799551 /nfs/dbraw/zinc/79/95/51/492799551.db2.gz AWQGWVNWOOYDBL-UHFFFAOYSA-N 2 2 350.467 0.326 20 0 FCADLP CCn1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000657823195 492799554 /nfs/dbraw/zinc/79/95/54/492799554.db2.gz AWQGWVNWOOYDBL-UHFFFAOYSA-N 2 2 350.467 0.326 20 0 FCADLP O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000644714236 492800630 /nfs/dbraw/zinc/80/06/30/492800630.db2.gz PQZDHKAVSKJCQX-BWTSREIZSA-N 2 2 359.470 0.305 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000644714236 492800633 /nfs/dbraw/zinc/80/06/33/492800633.db2.gz PQZDHKAVSKJCQX-BWTSREIZSA-N 2 2 359.470 0.305 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000637260828 492800990 /nfs/dbraw/zinc/80/09/90/492800990.db2.gz SPZNSYVOOXPTSK-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000637260828 492800995 /nfs/dbraw/zinc/80/09/95/492800995.db2.gz SPZNSYVOOXPTSK-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000637260828 492801000 /nfs/dbraw/zinc/80/10/00/492801000.db2.gz SPZNSYVOOXPTSK-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000637260828 492801002 /nfs/dbraw/zinc/80/10/02/492801002.db2.gz SPZNSYVOOXPTSK-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)cc1 ZINC000644714768 492801131 /nfs/dbraw/zinc/80/11/31/492801131.db2.gz GPKHUXVNPKZOMY-PMOLBWCYSA-N 2 2 373.497 0.900 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)cc1 ZINC000644714768 492801137 /nfs/dbraw/zinc/80/11/37/492801137.db2.gz GPKHUXVNPKZOMY-PMOLBWCYSA-N 2 2 373.497 0.900 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)cc1 ZINC000644714768 492801143 /nfs/dbraw/zinc/80/11/43/492801143.db2.gz GPKHUXVNPKZOMY-PMOLBWCYSA-N 2 2 373.497 0.900 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)cc1 ZINC000644714768 492801147 /nfs/dbraw/zinc/80/11/47/492801147.db2.gz GPKHUXVNPKZOMY-PMOLBWCYSA-N 2 2 373.497 0.900 20 0 FCADLP CNS(=O)(=O)CCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631230652 492805405 /nfs/dbraw/zinc/80/54/05/492805405.db2.gz XMSXTKOFQFLVKB-UHFFFAOYSA-N 2 2 371.503 0.427 20 0 FCADLP Cc1nn(C)c2ncc(C[NH2+]CCCCN3CC[NH+](CCO)CC3)cc12 ZINC000657883097 492809097 /nfs/dbraw/zinc/80/90/97/492809097.db2.gz PIISDERNHRXIPE-UHFFFAOYSA-N 2 2 360.506 0.756 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2[nH+]1 ZINC000657936692 492816127 /nfs/dbraw/zinc/81/61/27/492816127.db2.gz OBTRHWWEAZILGA-UHFFFAOYSA-N 2 2 355.402 0.978 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cnnn2-c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000651752616 492818265 /nfs/dbraw/zinc/81/82/65/492818265.db2.gz NADIWUQXWYZLJU-INIZCTEOSA-N 2 2 370.457 0.290 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)Oc3ccccc3NC2=O)CC1 ZINC000631624467 492826727 /nfs/dbraw/zinc/82/67/27/492826727.db2.gz HQLIXBVTOVJYPF-IBGZPJMESA-N 2 2 360.458 0.918 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000644954657 492833031 /nfs/dbraw/zinc/83/30/31/492833031.db2.gz ZTXCYWTYZZWLNW-AWEZNQCLSA-N 2 2 360.487 1.000 20 0 FCADLP O=C(C[N@H+]1CC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000644954657 492833035 /nfs/dbraw/zinc/83/30/35/492833035.db2.gz ZTXCYWTYZZWLNW-AWEZNQCLSA-N 2 2 360.487 1.000 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCCn3cncn3)CC2)CC1 ZINC000637576374 492849951 /nfs/dbraw/zinc/84/99/51/492849951.db2.gz KQQYDXFNXHBOTB-UHFFFAOYSA-N 2 2 363.510 0.870 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCCn3cncn3)CC2)CC1 ZINC000637576374 492849954 /nfs/dbraw/zinc/84/99/54/492849954.db2.gz KQQYDXFNXHBOTB-UHFFFAOYSA-N 2 2 363.510 0.870 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)nn1 ZINC000631847278 492862755 /nfs/dbraw/zinc/86/27/55/492862755.db2.gz QUCCCMKFIRUZKC-HOCLYGCPSA-N 2 2 356.430 0.624 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)nn1 ZINC000631847278 492862759 /nfs/dbraw/zinc/86/27/59/492862759.db2.gz QUCCCMKFIRUZKC-HOCLYGCPSA-N 2 2 356.430 0.624 20 0 FCADLP O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000631853643 492863743 /nfs/dbraw/zinc/86/37/43/492863743.db2.gz COKAZEGDCZGJHO-KDURUIRLSA-N 2 2 358.486 0.571 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631868561 492866853 /nfs/dbraw/zinc/86/68/53/492866853.db2.gz JLZWSOQYHYLSDY-APWZRJJASA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH2+]Cc3ccccc32)CC1 ZINC000631903811 492874693 /nfs/dbraw/zinc/87/46/93/492874693.db2.gz VHRUFRDMQSXEMR-UHFFFAOYSA-N 2 2 352.504 0.564 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC3CCSCC3)CC2)CC1 ZINC000637944569 492882496 /nfs/dbraw/zinc/88/24/96/492882496.db2.gz WOFNORWZFYVEOD-UHFFFAOYSA-N 2 2 362.565 0.239 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[NH+]1CCOCC1 ZINC000652127552 492883792 /nfs/dbraw/zinc/88/37/92/492883792.db2.gz WYORJDOCKKMNOB-TWMKSMIVSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)CO1 ZINC000658427078 492885814 /nfs/dbraw/zinc/88/58/14/492885814.db2.gz XXZZDUPHHPFAMA-HUUCEWRRSA-N 2 2 362.474 0.912 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)CO1 ZINC000658427078 492885818 /nfs/dbraw/zinc/88/58/18/492885818.db2.gz XXZZDUPHHPFAMA-HUUCEWRRSA-N 2 2 362.474 0.912 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000631927375 492888806 /nfs/dbraw/zinc/88/88/06/492888806.db2.gz XKKSSFOMABHBRI-HOTGVXAUSA-N 2 2 360.524 0.148 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645305443 492890818 /nfs/dbraw/zinc/89/08/18/492890818.db2.gz SDQKBCCCSWWUBJ-HZPDHXFCSA-N 2 2 364.494 0.507 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000652218915 492895596 /nfs/dbraw/zinc/89/55/96/492895596.db2.gz KPFCXCIIWVGPFB-QAQDUYKDSA-N 2 2 356.511 0.742 20 0 FCADLP C[C@H]([C@H](C)NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)[NH+]1CCOCC1 ZINC000638101232 492905888 /nfs/dbraw/zinc/90/58/88/492905888.db2.gz OTYNQWGLEPNNCX-TUAOUCFPSA-N 2 2 372.420 0.589 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000638103800 492906748 /nfs/dbraw/zinc/90/67/48/492906748.db2.gz UELQOZRDTAHVAN-QGZVFWFLSA-N 2 2 359.430 0.862 20 0 FCADLP CC[NH2+][C@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000638116922 492909382 /nfs/dbraw/zinc/90/93/82/492909382.db2.gz HSMLDVYTGQWLDK-CQSZACIVSA-N 2 2 368.503 0.237 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116186 492910101 /nfs/dbraw/zinc/91/01/01/492910101.db2.gz HRBHIXKZDUNYMX-LPHOPBHVSA-N 3 2 360.502 0.850 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116186 492910104 /nfs/dbraw/zinc/91/01/04/492910104.db2.gz HRBHIXKZDUNYMX-LPHOPBHVSA-N 3 2 360.502 0.850 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)N1CC[NH2+]CC1=O ZINC000638136762 492915269 /nfs/dbraw/zinc/91/52/69/492915269.db2.gz MBKNSQPJKGSPTJ-HNNXBMFYSA-N 2 2 359.474 0.193 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)N1CC[NH2+]CC1=O ZINC000638136762 492915273 /nfs/dbraw/zinc/91/52/73/492915273.db2.gz MBKNSQPJKGSPTJ-HNNXBMFYSA-N 2 2 359.474 0.193 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638139191 492917835 /nfs/dbraw/zinc/91/78/35/492917835.db2.gz JRWHOXSYMCDYGU-HNNXBMFYSA-N 2 2 354.458 0.876 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@H]1C[C@@H](O)C1 ZINC000626043551 492921903 /nfs/dbraw/zinc/92/19/03/492921903.db2.gz ULBNIDUFMYUJHH-UWUNEBHHSA-N 2 2 361.486 0.838 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@H]1C[C@@H](O)C1 ZINC000626043551 492921907 /nfs/dbraw/zinc/92/19/07/492921907.db2.gz ULBNIDUFMYUJHH-UWUNEBHHSA-N 2 2 361.486 0.838 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1[nH+]ccn1C ZINC000638258117 492925595 /nfs/dbraw/zinc/92/55/95/492925595.db2.gz FWKNSVAMUFQWSJ-IRXDYDNUSA-N 2 2 369.425 0.950 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101174 492929293 /nfs/dbraw/zinc/92/92/93/492929293.db2.gz QTSZGEBGCYLYKC-CVEARBPZSA-N 2 2 363.510 0.656 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101174 492929295 /nfs/dbraw/zinc/92/92/95/492929295.db2.gz QTSZGEBGCYLYKC-CVEARBPZSA-N 2 2 363.510 0.656 20 0 FCADLP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c2ccccc2O1 ZINC000632102514 492930606 /nfs/dbraw/zinc/93/06/06/492930606.db2.gz JGFXPXJKMFZFCQ-CABCVRRESA-N 2 2 369.487 0.476 20 0 FCADLP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c2ccccc2O1 ZINC000632102514 492930609 /nfs/dbraw/zinc/93/06/09/492930609.db2.gz JGFXPXJKMFZFCQ-CABCVRRESA-N 2 2 369.487 0.476 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N1CC[NH2+]CC1=O ZINC000638411255 492944509 /nfs/dbraw/zinc/94/45/09/492944509.db2.gz MJQJYRUXBCVQFV-AXAPSJFSSA-N 2 2 366.412 0.347 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cl ZINC000638411229 492944588 /nfs/dbraw/zinc/94/45/88/492944588.db2.gz HGJFYZZWQODDPP-UHFFFAOYSA-N 2 2 361.895 0.924 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)[C@H](C)CO1 ZINC000638407139 492944628 /nfs/dbraw/zinc/94/46/28/492944628.db2.gz UOAXHPZWWBSAMN-IJLUTSLNSA-N 2 2 372.420 0.589 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)[C@H](C)CO1 ZINC000638407139 492944630 /nfs/dbraw/zinc/94/46/30/492944630.db2.gz UOAXHPZWWBSAMN-IJLUTSLNSA-N 2 2 372.420 0.589 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638529617 492957986 /nfs/dbraw/zinc/95/79/86/492957986.db2.gz RKAIVXAESGWAIH-CQSZACIVSA-N 2 2 358.450 0.200 20 0 FCADLP O=C1C[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCN1 ZINC000638528558 492957994 /nfs/dbraw/zinc/95/79/94/492957994.db2.gz DZVYXXHHQCUNAP-JKSUJKDBSA-N 2 2 374.489 0.540 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000652516371 492958554 /nfs/dbraw/zinc/95/85/54/492958554.db2.gz ACPXRFBGLLVMJP-WBVHZDCISA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000652516371 492958560 /nfs/dbraw/zinc/95/85/60/492958560.db2.gz ACPXRFBGLLVMJP-WBVHZDCISA-N 2 2 368.522 0.497 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](Cc2ccccc2)C1 ZINC000652527812 492961484 /nfs/dbraw/zinc/96/14/84/492961484.db2.gz AWYBLTXMABCQBL-IBGZPJMESA-N 2 2 370.497 0.678 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](Cc2ccccc2)C1 ZINC000652527812 492961487 /nfs/dbraw/zinc/96/14/87/492961487.db2.gz AWYBLTXMABCQBL-IBGZPJMESA-N 2 2 370.497 0.678 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000652580848 492969911 /nfs/dbraw/zinc/96/99/11/492969911.db2.gz DLQBTVBAMNPQBV-YJBOKZPZSA-N 2 2 362.478 0.808 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000638752646 492975745 /nfs/dbraw/zinc/97/57/45/492975745.db2.gz MYDYZZKHQBJMKS-KRWDZBQOSA-N 2 2 351.414 0.987 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906450 492986971 /nfs/dbraw/zinc/98/69/71/492986971.db2.gz TUFZZWHWRQGZAU-MSOLQXFVSA-N 2 2 370.457 0.411 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906450 492986976 /nfs/dbraw/zinc/98/69/76/492986976.db2.gz TUFZZWHWRQGZAU-MSOLQXFVSA-N 2 2 370.457 0.411 20 0 FCADLP CN1C(=O)c2ccc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)cc2C1=O ZINC000638986790 492990279 /nfs/dbraw/zinc/99/02/79/492990279.db2.gz BOVQVVLYKJYWBM-UHFFFAOYSA-N 2 2 365.393 0.969 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990690 492991254 /nfs/dbraw/zinc/99/12/54/492991254.db2.gz NVESKAZZWUPNJE-CQSZACIVSA-N 2 2 363.487 0.119 20 0 FCADLP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003170 492991443 /nfs/dbraw/zinc/99/14/43/492991443.db2.gz DXGGIXHKEAAYBT-HNNXBMFYSA-N 2 2 369.473 0.667 20 0 FCADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(S(N)(=O)=O)o3)CC2)CC1 ZINC000639043968 492993544 /nfs/dbraw/zinc/99/35/44/492993544.db2.gz CVUFCQAZKCACIC-UHFFFAOYSA-N 2 2 370.519 0.777 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652698724 492993995 /nfs/dbraw/zinc/99/39/95/492993995.db2.gz JCBMHSDYSOFBLO-ROUUACIJSA-N 2 2 360.502 0.861 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652698724 492993998 /nfs/dbraw/zinc/99/39/98/492993998.db2.gz JCBMHSDYSOFBLO-ROUUACIJSA-N 2 2 360.502 0.861 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033872 493003732 /nfs/dbraw/zinc/00/37/32/493003732.db2.gz TZKXLYDNRHYOHZ-INIZCTEOSA-N 2 2 355.442 1.021 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCC[NH+](C)C)CC2)CC1 ZINC000632489179 493008632 /nfs/dbraw/zinc/00/86/32/493008632.db2.gz CHSKFVQQWOESLH-UHFFFAOYSA-N 3 2 360.568 0.760 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCC[NH+](C)C)CC2)CC1 ZINC000632489179 493008636 /nfs/dbraw/zinc/00/86/36/493008636.db2.gz CHSKFVQQWOESLH-UHFFFAOYSA-N 3 2 360.568 0.760 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104688 493013047 /nfs/dbraw/zinc/01/30/47/493013047.db2.gz MLAKZCMDRMOOLM-AWEZNQCLSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104688 493013053 /nfs/dbraw/zinc/01/30/53/493013053.db2.gz MLAKZCMDRMOOLM-AWEZNQCLSA-N 2 2 360.458 0.909 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702174 493034227 /nfs/dbraw/zinc/03/42/27/493034227.db2.gz OEKGIQHEMDEMLV-NVXWUHKLSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702174 493034231 /nfs/dbraw/zinc/03/42/31/493034231.db2.gz OEKGIQHEMDEMLV-NVXWUHKLSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)ccn1 ZINC000639702174 493034236 /nfs/dbraw/zinc/03/42/36/493034236.db2.gz OEKGIQHEMDEMLV-NVXWUHKLSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)ccn1 ZINC000639702174 493034240 /nfs/dbraw/zinc/03/42/40/493034240.db2.gz OEKGIQHEMDEMLV-NVXWUHKLSA-N 2 2 362.474 0.740 20 0 FCADLP O=C(CC[NH+]1CCN(c2nc[nH]n2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000639730868 493040473 /nfs/dbraw/zinc/04/04/73/493040473.db2.gz RCJJDLPOWBRQCM-UHFFFAOYSA-N 2 2 370.461 0.061 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457768 493051793 /nfs/dbraw/zinc/05/17/93/493051793.db2.gz DMITVUURYAHZJD-SCTDSRPQSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457768 493051798 /nfs/dbraw/zinc/05/17/98/493051798.db2.gz DMITVUURYAHZJD-SCTDSRPQSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457768 493051801 /nfs/dbraw/zinc/05/18/01/493051801.db2.gz DMITVUURYAHZJD-SCTDSRPQSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457768 493051805 /nfs/dbraw/zinc/05/18/05/493051805.db2.gz DMITVUURYAHZJD-SCTDSRPQSA-N 2 2 366.550 0.826 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000639806296 493052005 /nfs/dbraw/zinc/05/20/05/493052005.db2.gz YTHCIHVHVSNIEN-MRXNPFEDSA-N 2 2 364.490 0.939 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000639806296 493052009 /nfs/dbraw/zinc/05/20/09/493052009.db2.gz YTHCIHVHVSNIEN-MRXNPFEDSA-N 2 2 364.490 0.939 20 0 FCADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000626919793 493062527 /nfs/dbraw/zinc/06/25/27/493062527.db2.gz NWGLXRHGIMBORS-UONOGXRCSA-N 2 2 354.476 0.409 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000653045945 493064472 /nfs/dbraw/zinc/06/44/72/493064472.db2.gz XXVBNRIFBWWFKT-HNNXBMFYSA-N 2 2 359.474 0.432 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000653066078 493065615 /nfs/dbraw/zinc/06/56/15/493065615.db2.gz CSNWRNIAEYFDOI-MRXNPFEDSA-N 2 2 350.438 0.779 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000653071661 493066455 /nfs/dbraw/zinc/06/64/55/493066455.db2.gz OOTXSFSFHQDCNH-MRXNPFEDSA-N 2 2 366.437 0.154 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NCCOCCC[NH3+])c[nH+]2)CCO1 ZINC000626932643 493066736 /nfs/dbraw/zinc/06/67/36/493066736.db2.gz XRPWXCYWIOMSTP-CQSZACIVSA-N 2 2 351.451 0.471 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NCCOCCC[NH3+])c[nH+]2)CCO1 ZINC000626932640 493066779 /nfs/dbraw/zinc/06/67/79/493066779.db2.gz XRPWXCYWIOMSTP-AWEZNQCLSA-N 2 2 351.451 0.471 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000653075662 493066969 /nfs/dbraw/zinc/06/69/69/493066969.db2.gz VXJCRQUDUYHSLX-ZDUSSCGKSA-N 2 2 371.279 0.574 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000653074291 493067174 /nfs/dbraw/zinc/06/71/74/493067174.db2.gz CMDRYUUJOQWOJF-GFCCVEGCSA-N 2 2 357.252 0.783 20 0 FCADLP COc1cc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)ccc1C ZINC000653074658 493067253 /nfs/dbraw/zinc/06/72/53/493067253.db2.gz QFAWIRSZVUUPDV-INIZCTEOSA-N 2 2 362.474 0.567 20 0 FCADLP CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079643 493067986 /nfs/dbraw/zinc/06/79/86/493067986.db2.gz IJWIFFISSDVEPF-INIZCTEOSA-N 2 2 371.503 0.596 20 0 FCADLP [NH3+]CC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000626945614 493069303 /nfs/dbraw/zinc/06/93/03/493069303.db2.gz FKSJPYBREWTPNL-INIZCTEOSA-N 2 2 358.508 0.001 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000653094862 493069500 /nfs/dbraw/zinc/06/95/00/493069500.db2.gz SSYWDFJUNKUCMJ-CYBMUJFWSA-N 2 2 358.439 0.484 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000626946580 493069585 /nfs/dbraw/zinc/06/95/85/493069585.db2.gz TXOOOVWRMGIGNA-DOTOQJQBSA-N 2 2 356.536 0.834 20 0 FCADLP CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653090594 493069616 /nfs/dbraw/zinc/06/96/16/493069616.db2.gz USALKJHRKOUWBV-CQSZACIVSA-N 2 2 354.476 0.105 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000653112603 493072089 /nfs/dbraw/zinc/07/20/89/493072089.db2.gz CVJFFMIGSWRXRQ-KRWDZBQOSA-N 2 2 355.442 0.651 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000653113863 493072422 /nfs/dbraw/zinc/07/24/22/493072422.db2.gz QMHBKLTZGBCQCG-DLBZAZTESA-N 2 2 352.454 0.594 20 0 FCADLP C[NH+](C)CC[C@H](N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000653113847 493072562 /nfs/dbraw/zinc/07/25/62/493072562.db2.gz PJSQPFYYWDGVSG-SFHVURJKSA-N 2 2 364.490 0.293 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123298 493075266 /nfs/dbraw/zinc/07/52/66/493075266.db2.gz UMJJMBMCVLDEBB-QAPCUYQASA-N 3 2 364.490 0.673 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123298 493075270 /nfs/dbraw/zinc/07/52/70/493075270.db2.gz UMJJMBMCVLDEBB-QAPCUYQASA-N 3 2 364.490 0.673 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000653122273 493075300 /nfs/dbraw/zinc/07/53/00/493075300.db2.gz RTNFHDJANQQQPQ-VIFPVBQESA-N 2 2 355.240 0.616 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640051132 493080134 /nfs/dbraw/zinc/08/01/34/493080134.db2.gz ISTKNKWCYBOLNH-UHFFFAOYSA-N 2 2 368.503 0.143 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640051132 493080138 /nfs/dbraw/zinc/08/01/38/493080138.db2.gz ISTKNKWCYBOLNH-UHFFFAOYSA-N 2 2 368.503 0.143 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000640060018 493082023 /nfs/dbraw/zinc/08/20/23/493082023.db2.gz WPDJLVHAGDGTQX-OAHLLOKOSA-N 2 2 360.458 0.613 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000640060018 493082027 /nfs/dbraw/zinc/08/20/27/493082027.db2.gz WPDJLVHAGDGTQX-OAHLLOKOSA-N 2 2 360.458 0.613 20 0 FCADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000653201921 493082834 /nfs/dbraw/zinc/08/28/34/493082834.db2.gz BKFYZZAQWLRHAV-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000653201921 493082836 /nfs/dbraw/zinc/08/28/36/493082836.db2.gz BKFYZZAQWLRHAV-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1CC[NH3+] ZINC000653239613 493084598 /nfs/dbraw/zinc/08/45/98/493084598.db2.gz CIQJQVCGONSCNQ-ZACQAIPSSA-N 2 2 366.506 0.143 20 0 FCADLP O=C1C[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653280001 493089153 /nfs/dbraw/zinc/08/91/53/493089153.db2.gz SMQJIJLCFKQBAI-JKSUJKDBSA-N 2 2 357.458 0.331 20 0 FCADLP O=C1C[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653280001 493089157 /nfs/dbraw/zinc/08/91/57/493089157.db2.gz SMQJIJLCFKQBAI-JKSUJKDBSA-N 2 2 357.458 0.331 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH2+]C23CCC3)CCC(=O)N1C ZINC000627118430 493090941 /nfs/dbraw/zinc/09/09/41/493090941.db2.gz AQJFLPFMOCUEPK-YDHLFZDLSA-N 2 2 360.462 0.666 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126140 493092734 /nfs/dbraw/zinc/09/27/34/493092734.db2.gz BPFQMQFJEHUHEZ-IRXDYDNUSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126140 493092736 /nfs/dbraw/zinc/09/27/36/493092736.db2.gz BPFQMQFJEHUHEZ-IRXDYDNUSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632949224 493097902 /nfs/dbraw/zinc/09/79/02/493097902.db2.gz DAFFUDQEFCIOQQ-UHFFFAOYSA-N 2 2 367.457 0.910 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1)[NH+]1CCOCC1 ZINC000633026161 493104883 /nfs/dbraw/zinc/10/48/83/493104883.db2.gz FIFDUIXPZPDLSD-JQFCIGGWSA-N 2 2 358.442 0.591 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653376029 493106857 /nfs/dbraw/zinc/10/68/57/493106857.db2.gz SOFGWKLLJHPCTO-SJLPKXTDSA-N 2 2 369.469 0.773 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653383430 493110936 /nfs/dbraw/zinc/11/09/36/493110936.db2.gz OOGDNTINAFIESL-AEFFLSMTSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653383430 493110940 /nfs/dbraw/zinc/11/09/40/493110940.db2.gz OOGDNTINAFIESL-AEFFLSMTSA-N 2 2 360.502 0.828 20 0 FCADLP CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000640521072 493111717 /nfs/dbraw/zinc/11/17/17/493111717.db2.gz SRRBIZQPTKENAU-CABCVRRESA-N 2 2 356.430 0.891 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530341 493113286 /nfs/dbraw/zinc/11/32/86/493113286.db2.gz CKJDCMRBXFDHRQ-HZPDHXFCSA-N 2 2 359.536 0.876 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530341 493113289 /nfs/dbraw/zinc/11/32/89/493113289.db2.gz CKJDCMRBXFDHRQ-HZPDHXFCSA-N 2 2 359.536 0.876 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653389207 493113770 /nfs/dbraw/zinc/11/37/70/493113770.db2.gz WQPDKXRPFYKWQH-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653389207 493113774 /nfs/dbraw/zinc/11/37/74/493113774.db2.gz WQPDKXRPFYKWQH-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653389207 493113779 /nfs/dbraw/zinc/11/37/79/493113779.db2.gz WQPDKXRPFYKWQH-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653389207 493113781 /nfs/dbraw/zinc/11/37/81/493113781.db2.gz WQPDKXRPFYKWQH-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633075180 493115319 /nfs/dbraw/zinc/11/53/19/493115319.db2.gz FAIGGOLVMRXTKM-HDICACEKSA-N 2 2 374.460 0.823 20 0 FCADLP O=C(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633075180 493115322 /nfs/dbraw/zinc/11/53/22/493115322.db2.gz FAIGGOLVMRXTKM-HDICACEKSA-N 2 2 374.460 0.823 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000653397179 493118512 /nfs/dbraw/zinc/11/85/12/493118512.db2.gz NUUIUKAZKUAHLR-QRQLOZEOSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)CC[N@H+]1C ZINC000653397179 493118515 /nfs/dbraw/zinc/11/85/15/493118515.db2.gz NUUIUKAZKUAHLR-QRQLOZEOSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397179 493118520 /nfs/dbraw/zinc/11/85/20/493118520.db2.gz NUUIUKAZKUAHLR-QRQLOZEOSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397179 493118524 /nfs/dbraw/zinc/11/85/24/493118524.db2.gz NUUIUKAZKUAHLR-QRQLOZEOSA-N 2 2 372.513 0.971 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000633116942 493132606 /nfs/dbraw/zinc/13/26/06/493132606.db2.gz YEDSWAZLWQBQSY-LSDHHAIUSA-N 2 2 374.489 0.505 20 0 FCADLP CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000653445836 493141962 /nfs/dbraw/zinc/14/19/62/493141962.db2.gz ATMVRSPSXNPDDT-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000653445836 493141965 /nfs/dbraw/zinc/14/19/65/493141965.db2.gz ATMVRSPSXNPDDT-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000633362672 493149321 /nfs/dbraw/zinc/14/93/21/493149321.db2.gz OUZHDIBCTAARIS-UHFFFAOYSA-N 2 2 350.511 0.591 20 0 FCADLP [NH3+]CCCCc1cn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000640954784 493153747 /nfs/dbraw/zinc/15/37/47/493153747.db2.gz XRSSUDZOTWKGLD-UHFFFAOYSA-N 2 2 362.503 0.965 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000659113766 493160353 /nfs/dbraw/zinc/16/03/53/493160353.db2.gz HAQUKUFHKIRHCH-HNNXBMFYSA-N 2 2 361.490 0.487 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672531849 493195480 /nfs/dbraw/zinc/19/54/80/493195480.db2.gz WFZILNYDACWXMH-HIFRSBDPSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672531849 493195484 /nfs/dbraw/zinc/19/54/84/493195484.db2.gz WFZILNYDACWXMH-HIFRSBDPSA-N 2 2 354.520 0.235 20 0 FCADLP CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638356 493221408 /nfs/dbraw/zinc/22/14/08/493221408.db2.gz OZJZKGLCNHQQOA-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638356 493221412 /nfs/dbraw/zinc/22/14/12/493221412.db2.gz OZJZKGLCNHQQOA-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCCN(CCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638441 493221663 /nfs/dbraw/zinc/22/16/63/493221663.db2.gz SMQJJKIMIUEJSM-MRXNPFEDSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCN(CCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638441 493221666 /nfs/dbraw/zinc/22/16/66/493221666.db2.gz SMQJJKIMIUEJSM-MRXNPFEDSA-N 2 2 368.522 0.282 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CC(C)(C)O)C3CC3)C2)CC1 ZINC000672638492 493221737 /nfs/dbraw/zinc/22/17/37/493221737.db2.gz QWNLXTJHIFECHX-AWEZNQCLSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CC(C)(C)O)C3CC3)C2)CC1 ZINC000672638492 493221740 /nfs/dbraw/zinc/22/17/40/493221740.db2.gz QWNLXTJHIFECHX-AWEZNQCLSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](c1cccnc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638742 493221799 /nfs/dbraw/zinc/22/17/99/493221799.db2.gz IEGXILHCLPWZFE-NVXWUHKLSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1cccnc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638742 493221800 /nfs/dbraw/zinc/22/18/00/493221800.db2.gz IEGXILHCLPWZFE-NVXWUHKLSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639356 493222222 /nfs/dbraw/zinc/22/22/22/493222222.db2.gz MFFILEORIPRBNQ-OAGGEKHMSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639356 493222224 /nfs/dbraw/zinc/22/22/24/493222224.db2.gz MFFILEORIPRBNQ-OAGGEKHMSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@H](CCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638121 493222723 /nfs/dbraw/zinc/22/27/23/493222723.db2.gz LCFHQTTXKBBNDU-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](CCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638121 493222726 /nfs/dbraw/zinc/22/27/26/493222726.db2.gz LCFHQTTXKBBNDU-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627001 493222874 /nfs/dbraw/zinc/22/28/74/493222874.db2.gz PLALEYDERONBPC-FDYSRKEFSA-N 2 2 357.502 0.935 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627001 493222876 /nfs/dbraw/zinc/22/28/76/493222876.db2.gz PLALEYDERONBPC-FDYSRKEFSA-N 2 2 357.502 0.935 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCC4)C3)C2)CC1 ZINC000672640738 493224637 /nfs/dbraw/zinc/22/46/37/493224637.db2.gz ZBJXEBJXVCHIFO-HNNXBMFYSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOC4(CCC4)C3)C2)CC1 ZINC000672640738 493224641 /nfs/dbraw/zinc/22/46/41/493224641.db2.gz ZBJXEBJXVCHIFO-HNNXBMFYSA-N 2 2 364.490 0.053 20 0 FCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640593 493224708 /nfs/dbraw/zinc/22/47/08/493224708.db2.gz YHACNNIKTNNFQE-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640593 493224712 /nfs/dbraw/zinc/22/47/12/493224712.db2.gz YHACNNIKTNNFQE-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000672640555 493224961 /nfs/dbraw/zinc/22/49/61/493224961.db2.gz XIMIHKSPUZXRJA-CVEARBPZSA-N 2 2 374.485 0.880 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000672640555 493224965 /nfs/dbraw/zinc/22/49/65/493224965.db2.gz XIMIHKSPUZXRJA-CVEARBPZSA-N 2 2 374.485 0.880 20 0 FCADLP CC[C@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641200 493225047 /nfs/dbraw/zinc/22/50/47/493225047.db2.gz NEXSCAZJBRPZOX-HNAYVOBHSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@]1(C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641200 493225048 /nfs/dbraw/zinc/22/50/48/493225048.db2.gz NEXSCAZJBRPZOX-HNAYVOBHSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641975 493226940 /nfs/dbraw/zinc/22/69/40/493226940.db2.gz VEYXTKXHVDRJBX-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641975 493226941 /nfs/dbraw/zinc/22/69/41/493226941.db2.gz VEYXTKXHVDRJBX-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642262 493226984 /nfs/dbraw/zinc/22/69/84/493226984.db2.gz CYJACUSDRVNDIV-HNNXBMFYSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642262 493226986 /nfs/dbraw/zinc/22/69/86/493226986.db2.gz CYJACUSDRVNDIV-HNNXBMFYSA-N 2 2 368.522 0.545 20 0 FCADLP CN(Cc1cscn1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643082 493228252 /nfs/dbraw/zinc/22/82/52/493228252.db2.gz OJRZYAJOSDVEMG-CYBMUJFWSA-N 2 2 365.503 0.386 20 0 FCADLP CN(Cc1cscn1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643082 493228255 /nfs/dbraw/zinc/22/82/55/493228255.db2.gz OJRZYAJOSDVEMG-CYBMUJFWSA-N 2 2 365.503 0.386 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH+](C)C ZINC000672650693 493229134 /nfs/dbraw/zinc/22/91/34/493229134.db2.gz YYUVQXVVEJYUDG-WMLDXEAASA-N 2 2 355.442 0.897 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000672708144 493237862 /nfs/dbraw/zinc/23/78/62/493237862.db2.gz FIBAICGGQZARAG-IRXDYDNUSA-N 2 2 367.538 0.517 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC000672764019 493246414 /nfs/dbraw/zinc/24/64/14/493246414.db2.gz YDWIIOKVNLCTEV-UHFFFAOYSA-N 2 2 357.458 0.902 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCC1 ZINC000659682230 493248720 /nfs/dbraw/zinc/24/87/20/493248720.db2.gz HUTZUEJTXFUNOD-LSDHHAIUSA-N 2 2 352.479 0.134 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000659683133 493249918 /nfs/dbraw/zinc/24/99/18/493249918.db2.gz OBWQCQVGUPRXHA-AWEZNQCLSA-N 2 2 361.421 0.961 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791715 493250841 /nfs/dbraw/zinc/25/08/41/493250841.db2.gz OPJSEQIVAQWGNZ-YOEHRIQHSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791715 493250844 /nfs/dbraw/zinc/25/08/44/493250844.db2.gz OPJSEQIVAQWGNZ-YOEHRIQHSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000659688384 493254704 /nfs/dbraw/zinc/25/47/04/493254704.db2.gz YQFZPUZCLRJDFB-HNNXBMFYSA-N 2 2 357.458 0.856 20 0 FCADLP CC1(C)CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000672951387 493269591 /nfs/dbraw/zinc/26/95/91/493269591.db2.gz FGJSXLFYENLJNB-SJORKVTESA-N 2 2 368.522 0.728 20 0 FCADLP CC1(C)CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000672951387 493269596 /nfs/dbraw/zinc/26/95/96/493269596.db2.gz FGJSXLFYENLJNB-SJORKVTESA-N 2 2 368.522 0.728 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[NH2+]C3CC3)c2)CC1 ZINC000667294450 493273341 /nfs/dbraw/zinc/27/33/41/493273341.db2.gz XCHHGAQNWQNMRE-UHFFFAOYSA-N 2 2 359.474 0.241 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000641666698 493274077 /nfs/dbraw/zinc/27/40/77/493274077.db2.gz ITYMOJULFVIGCS-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000641666698 493274079 /nfs/dbraw/zinc/27/40/79/493274079.db2.gz ITYMOJULFVIGCS-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000641668865 493274699 /nfs/dbraw/zinc/27/46/99/493274699.db2.gz QOSJNZDNCHKGJZ-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000641668865 493274702 /nfs/dbraw/zinc/27/47/02/493274702.db2.gz QOSJNZDNCHKGJZ-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667337593 493277201 /nfs/dbraw/zinc/27/72/01/493277201.db2.gz LVKQTQOIFFFZCZ-GOSISDBHSA-N 2 2 368.522 0.443 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000659733371 493277859 /nfs/dbraw/zinc/27/78/59/493277859.db2.gz XVOUWPXWORGCMP-UHFFFAOYSA-N 2 2 350.488 0.780 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732835 493278220 /nfs/dbraw/zinc/27/82/20/493278220.db2.gz OQDRGGQDVPVGGG-OAHLLOKOSA-N 2 2 359.474 0.675 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166860 493297124 /nfs/dbraw/zinc/29/71/24/493297124.db2.gz XDKWUKVDMPZIAC-IRXDYDNUSA-N 2 2 366.506 0.155 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166860 493297126 /nfs/dbraw/zinc/29/71/26/493297126.db2.gz XDKWUKVDMPZIAC-IRXDYDNUSA-N 2 2 366.506 0.155 20 0 FCADLP CN(C(=O)C(=O)NCCn1cccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673197930 493302013 /nfs/dbraw/zinc/30/20/13/493302013.db2.gz MHLRVCMYFHFQRY-QGZVFWFLSA-N 2 2 361.490 0.231 20 0 FCADLP CN(C(=O)C(=O)NCCn1cccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673197930 493302016 /nfs/dbraw/zinc/30/20/16/493302016.db2.gz MHLRVCMYFHFQRY-QGZVFWFLSA-N 2 2 361.490 0.231 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000673283996 493311283 /nfs/dbraw/zinc/31/12/83/493311283.db2.gz VHYDVECRJAFPSW-SJLPKXTDSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000673283996 493311285 /nfs/dbraw/zinc/31/12/85/493311285.db2.gz VHYDVECRJAFPSW-SJLPKXTDSA-N 2 2 356.470 0.986 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659995661 493313241 /nfs/dbraw/zinc/31/32/41/493313241.db2.gz GCGHIDDHKQASPT-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659995661 493313243 /nfs/dbraw/zinc/31/32/43/493313243.db2.gz GCGHIDDHKQASPT-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP C[NH+](C)C1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1 ZINC000668100705 493317913 /nfs/dbraw/zinc/31/79/13/493317913.db2.gz VNWRVXHGPPWYCC-UHFFFAOYSA-N 2 2 360.458 0.781 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656352 493370360 /nfs/dbraw/zinc/37/03/60/493370360.db2.gz LUPFQJBRQPKBLO-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656352 493370362 /nfs/dbraw/zinc/37/03/62/493370362.db2.gz LUPFQJBRQPKBLO-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656352 493370364 /nfs/dbraw/zinc/37/03/64/493370364.db2.gz LUPFQJBRQPKBLO-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656352 493370366 /nfs/dbraw/zinc/37/03/66/493370366.db2.gz LUPFQJBRQPKBLO-FXAWDEMLSA-N 2 2 372.517 0.931 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000673875543 493370526 /nfs/dbraw/zinc/37/05/26/493370526.db2.gz CJQSBRWUVFRBIB-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683972283 493382856 /nfs/dbraw/zinc/38/28/56/493382856.db2.gz DERDNABPARQTIV-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[NH+](CCn2cncn2)CC1 ZINC000674096665 493388036 /nfs/dbraw/zinc/38/80/36/493388036.db2.gz WLHXKDBLNKKSNL-SFHVURJKSA-N 2 2 369.473 0.482 20 0 FCADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[NH+](CCn2cncn2)CC1 ZINC000674096665 493388038 /nfs/dbraw/zinc/38/80/38/493388038.db2.gz WLHXKDBLNKKSNL-SFHVURJKSA-N 2 2 369.473 0.482 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000668670654 493393690 /nfs/dbraw/zinc/39/36/90/493393690.db2.gz KBHZRBSZEJPTJY-SJLPKXTDSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000668670654 493393693 /nfs/dbraw/zinc/39/36/93/493393693.db2.gz KBHZRBSZEJPTJY-SJLPKXTDSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668670654 493393694 /nfs/dbraw/zinc/39/36/94/493393694.db2.gz KBHZRBSZEJPTJY-SJLPKXTDSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668670654 493393697 /nfs/dbraw/zinc/39/36/97/493393697.db2.gz KBHZRBSZEJPTJY-SJLPKXTDSA-N 2 2 356.470 0.730 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178669 493416275 /nfs/dbraw/zinc/41/62/75/493416275.db2.gz ILHOQCIUBZBCPD-KURKYZTESA-N 2 2 357.454 0.559 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178669 493416276 /nfs/dbraw/zinc/41/62/76/493416276.db2.gz ILHOQCIUBZBCPD-KURKYZTESA-N 2 2 357.454 0.559 20 0 FCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178669 493416278 /nfs/dbraw/zinc/41/62/78/493416278.db2.gz ILHOQCIUBZBCPD-KURKYZTESA-N 2 2 357.454 0.559 20 0 FCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178669 493416279 /nfs/dbraw/zinc/41/62/79/493416279.db2.gz ILHOQCIUBZBCPD-KURKYZTESA-N 2 2 357.454 0.559 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000668829200 493417922 /nfs/dbraw/zinc/41/79/22/493417922.db2.gz LAPPUDDKTSKROC-ULQDDVLXSA-N 2 2 368.522 0.448 20 0 FCADLP COC[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000661227072 493419524 /nfs/dbraw/zinc/41/95/24/493419524.db2.gz DEZKNFMTKPOSRS-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP COC[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661227072 493419526 /nfs/dbraw/zinc/41/95/26/493419526.db2.gz DEZKNFMTKPOSRS-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CNC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660512 493427346 /nfs/dbraw/zinc/42/73/46/493427346.db2.gz MBSVLFOIWKARIT-KSSFIOAISA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660512 493427347 /nfs/dbraw/zinc/42/73/47/493427347.db2.gz MBSVLFOIWKARIT-KSSFIOAISA-N 2 2 351.495 0.323 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1F ZINC000668889112 493428841 /nfs/dbraw/zinc/42/88/41/493428841.db2.gz RXZQAYGRWNCAMI-XJKSGUPXSA-N 2 2 360.437 0.851 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668920527 493437778 /nfs/dbraw/zinc/43/77/78/493437778.db2.gz NJMAMZDZIWQPGC-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668920527 493437779 /nfs/dbraw/zinc/43/77/79/493437779.db2.gz NJMAMZDZIWQPGC-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668920523 493437821 /nfs/dbraw/zinc/43/78/21/493437821.db2.gz NJMAMZDZIWQPGC-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668920523 493437823 /nfs/dbraw/zinc/43/78/23/493437823.db2.gz NJMAMZDZIWQPGC-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661506720 493443361 /nfs/dbraw/zinc/44/33/61/493443361.db2.gz HKGSQVMOYHZKJH-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661506720 493443363 /nfs/dbraw/zinc/44/33/63/493443363.db2.gz HKGSQVMOYHZKJH-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596578 493450100 /nfs/dbraw/zinc/45/01/00/493450100.db2.gz DTCODCAPJHFDHJ-DOTOQJQBSA-N 2 2 360.458 0.524 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596578 493450102 /nfs/dbraw/zinc/45/01/02/493450102.db2.gz DTCODCAPJHFDHJ-DOTOQJQBSA-N 2 2 360.458 0.524 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)[nH+]1 ZINC000674889932 493456042 /nfs/dbraw/zinc/45/60/42/493456042.db2.gz XZFDWOACYWWALF-INIZCTEOSA-N 2 2 359.474 0.875 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)[nH+]1 ZINC000674889932 493456046 /nfs/dbraw/zinc/45/60/46/493456046.db2.gz XZFDWOACYWWALF-INIZCTEOSA-N 2 2 359.474 0.875 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661811299 493466870 /nfs/dbraw/zinc/46/68/70/493466870.db2.gz VCRRVVAXOQACLC-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661811299 493466872 /nfs/dbraw/zinc/46/68/72/493466872.db2.gz VCRRVVAXOQACLC-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338292 493478244 /nfs/dbraw/zinc/47/82/44/493478244.db2.gz ZZXGWOCIUIRDBD-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338292 493478247 /nfs/dbraw/zinc/47/82/47/493478247.db2.gz ZZXGWOCIUIRDBD-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000669232184 493480875 /nfs/dbraw/zinc/48/08/75/493480875.db2.gz BWIGWKREKPUGAX-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000669397233 493502340 /nfs/dbraw/zinc/50/23/40/493502340.db2.gz KHNZHPZQHQMFHH-BRWVUGGUSA-N 2 2 373.505 0.367 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662334990 493507726 /nfs/dbraw/zinc/50/77/26/493507726.db2.gz FUUXIRKWGZCFQK-CQSZACIVSA-N 2 2 373.461 0.934 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662334990 493507728 /nfs/dbraw/zinc/50/77/28/493507728.db2.gz FUUXIRKWGZCFQK-CQSZACIVSA-N 2 2 373.461 0.934 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336133 493507842 /nfs/dbraw/zinc/50/78/42/493507842.db2.gz VSBVIKOUPYEQQL-ZDUSSCGKSA-N 3 2 374.493 0.776 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336133 493507844 /nfs/dbraw/zinc/50/78/44/493507844.db2.gz VSBVIKOUPYEQQL-ZDUSSCGKSA-N 3 2 374.493 0.776 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)nc[nH+]1 ZINC000669506072 493508144 /nfs/dbraw/zinc/50/81/44/493508144.db2.gz QWVALDYBFGKKQH-KFWWJZLASA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)[nH+]cn1 ZINC000669506072 493508146 /nfs/dbraw/zinc/50/81/46/493508146.db2.gz QWVALDYBFGKKQH-KFWWJZLASA-N 2 2 359.478 0.881 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@H](N3CC[NH2+]CC3=O)C1)CCC2 ZINC000669541062 493510506 /nfs/dbraw/zinc/51/05/06/493510506.db2.gz IQCXQHOZNARQQH-CVEARBPZSA-N 2 2 374.489 0.675 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2CCc3sccc3C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662406461 493513504 /nfs/dbraw/zinc/51/35/04/493513504.db2.gz ZXVWDFHSVHKYKG-AWEZNQCLSA-N 2 2 360.487 0.971 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2CCc3sccc3C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662406461 493513506 /nfs/dbraw/zinc/51/35/06/493513506.db2.gz ZXVWDFHSVHKYKG-AWEZNQCLSA-N 2 2 360.487 0.971 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662456044 493517311 /nfs/dbraw/zinc/51/73/11/493517311.db2.gz ULEVWVWIDLCTBV-SMDDNHRTSA-N 2 2 355.280 0.811 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662456044 493517314 /nfs/dbraw/zinc/51/73/14/493517314.db2.gz ULEVWVWIDLCTBV-SMDDNHRTSA-N 2 2 355.280 0.811 20 0 FCADLP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C[C@H]1[NH+]1CCOCC1 ZINC000662481598 493519902 /nfs/dbraw/zinc/51/99/02/493519902.db2.gz KUEYSSYRMLCLMC-BZUAXINKSA-N 2 2 362.478 0.304 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662531661 493524051 /nfs/dbraw/zinc/52/40/51/493524051.db2.gz ZQIOWXBBAIGPEU-OAGGEKHMSA-N 2 2 362.478 0.494 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631781 493528991 /nfs/dbraw/zinc/52/89/91/493528991.db2.gz VJZAURVAMVZCSN-STQMWFEESA-N 2 2 350.467 0.350 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631781 493528992 /nfs/dbraw/zinc/52/89/92/493528992.db2.gz VJZAURVAMVZCSN-STQMWFEESA-N 2 2 350.467 0.350 20 0 FCADLP CC(C)(CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662662048 493530090 /nfs/dbraw/zinc/53/00/90/493530090.db2.gz NCRXLNPHWLQXTC-CQSZACIVSA-N 2 2 350.467 0.433 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662661374 493530169 /nfs/dbraw/zinc/53/01/69/493530169.db2.gz AIHGUULJYYDLPR-SJLPKXTDSA-N 2 2 363.458 0.712 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665230 493530814 /nfs/dbraw/zinc/53/08/14/493530814.db2.gz JIWBGXMEJKRQBW-HZPDHXFCSA-N 2 2 362.478 0.530 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662690073 493532153 /nfs/dbraw/zinc/53/21/53/493532153.db2.gz ZFEQVRFCRMOBJY-CVEARBPZSA-N 2 2 362.478 0.530 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676251370 493535355 /nfs/dbraw/zinc/53/53/55/493535355.db2.gz LQYVMXIQUSGLLL-QKPAOTATSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676251370 493535357 /nfs/dbraw/zinc/53/53/57/493535357.db2.gz LQYVMXIQUSGLLL-QKPAOTATSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676251370 493535359 /nfs/dbraw/zinc/53/53/59/493535359.db2.gz LQYVMXIQUSGLLL-QKPAOTATSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676251370 493535362 /nfs/dbraw/zinc/53/53/62/493535362.db2.gz LQYVMXIQUSGLLL-QKPAOTATSA-N 2 2 356.511 0.893 20 0 FCADLP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1(O)C[NH2+]C1 ZINC000662751571 493537900 /nfs/dbraw/zinc/53/79/00/493537900.db2.gz LGRNXVOYJGVRSN-UHFFFAOYSA-N 2 2 368.275 0.864 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676264332 493538232 /nfs/dbraw/zinc/53/82/32/493538232.db2.gz NKDNGRPUOLDRNB-LSDHHAIUSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676264332 493538233 /nfs/dbraw/zinc/53/82/33/493538233.db2.gz NKDNGRPUOLDRNB-LSDHHAIUSA-N 2 2 366.466 0.056 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662787310 493542006 /nfs/dbraw/zinc/54/20/06/493542006.db2.gz MRQZZXVDLAMATE-UHFFFAOYSA-N 2 2 350.488 0.678 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662787310 493542008 /nfs/dbraw/zinc/54/20/08/493542008.db2.gz MRQZZXVDLAMATE-UHFFFAOYSA-N 2 2 350.488 0.678 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@@H](C)CO1 ZINC000662858910 493547272 /nfs/dbraw/zinc/54/72/72/493547272.db2.gz JTNPFWLDSCBVLA-ZNMIVQPWSA-N 2 2 350.467 0.432 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@@H](C)CO1 ZINC000662858910 493547274 /nfs/dbraw/zinc/54/72/74/493547274.db2.gz JTNPFWLDSCBVLA-ZNMIVQPWSA-N 2 2 350.467 0.432 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H](C)CO1 ZINC000662858908 493547322 /nfs/dbraw/zinc/54/73/22/493547322.db2.gz JTNPFWLDSCBVLA-RRFJBIMHSA-N 2 2 350.467 0.432 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H](C)CO1 ZINC000662858908 493547324 /nfs/dbraw/zinc/54/73/24/493547324.db2.gz JTNPFWLDSCBVLA-RRFJBIMHSA-N 2 2 350.467 0.432 20 0 FCADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676387283 493548389 /nfs/dbraw/zinc/54/83/89/493548389.db2.gz FCRAHOCLUHOJRV-UYAOXDASSA-N 2 2 359.470 0.557 20 0 FCADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676387283 493548391 /nfs/dbraw/zinc/54/83/91/493548391.db2.gz FCRAHOCLUHOJRV-UYAOXDASSA-N 2 2 359.470 0.557 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000662868530 493548749 /nfs/dbraw/zinc/54/87/49/493548749.db2.gz JPLXYEBFEILXCJ-IAGOWNOFSA-N 2 2 364.465 0.844 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000662868530 493548751 /nfs/dbraw/zinc/54/87/51/493548751.db2.gz JPLXYEBFEILXCJ-IAGOWNOFSA-N 2 2 364.465 0.844 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000662923817 493553992 /nfs/dbraw/zinc/55/39/92/493553992.db2.gz SHWSODVDJDQIED-UHFFFAOYSA-N 2 2 362.474 0.405 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676506774 493556449 /nfs/dbraw/zinc/55/64/49/493556449.db2.gz BVYQYZHSUBURRU-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676506774 493556452 /nfs/dbraw/zinc/55/64/52/493556452.db2.gz BVYQYZHSUBURRU-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676506774 493556453 /nfs/dbraw/zinc/55/64/53/493556453.db2.gz BVYQYZHSUBURRU-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676506774 493556456 /nfs/dbraw/zinc/55/64/56/493556456.db2.gz BVYQYZHSUBURRU-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574516 493560584 /nfs/dbraw/zinc/56/05/84/493560584.db2.gz PPTYMCKDLHPUQG-GDBMZVCRSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574516 493560587 /nfs/dbraw/zinc/56/05/87/493560587.db2.gz PPTYMCKDLHPUQG-GDBMZVCRSA-N 2 2 353.488 0.067 20 0 FCADLP C[C@@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)N1CC[NH+](C)CC1 ZINC000670399267 493560956 /nfs/dbraw/zinc/56/09/56/493560956.db2.gz KCTCTCOVZSHZKB-AWEZNQCLSA-N 2 2 350.467 0.308 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCC(=O)N1C ZINC000662972417 493562589 /nfs/dbraw/zinc/56/25/89/493562589.db2.gz PFQOOPRXYZLTGV-GVXVVHGQSA-N 2 2 355.389 0.443 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670422103 493564419 /nfs/dbraw/zinc/56/44/19/493564419.db2.gz SYOYHKDLUXIXTP-SFHVURJKSA-N 2 2 373.501 0.367 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670422103 493564422 /nfs/dbraw/zinc/56/44/22/493564422.db2.gz SYOYHKDLUXIXTP-SFHVURJKSA-N 2 2 373.501 0.367 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423133 493564730 /nfs/dbraw/zinc/56/47/30/493564730.db2.gz OOCIAKMTGLUAJT-HOCLYGCPSA-N 2 2 359.474 0.544 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423133 493564732 /nfs/dbraw/zinc/56/47/32/493564732.db2.gz OOCIAKMTGLUAJT-HOCLYGCPSA-N 2 2 359.474 0.544 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670475214 493571068 /nfs/dbraw/zinc/57/10/68/493571068.db2.gz KKRXKGWFUAJAPS-SFHVURJKSA-N 2 2 358.486 0.930 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670475214 493571069 /nfs/dbraw/zinc/57/10/69/493571069.db2.gz KKRXKGWFUAJAPS-SFHVURJKSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670500347 493574476 /nfs/dbraw/zinc/57/44/76/493574476.db2.gz OFLUVNDKBPWQNG-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670500347 493574478 /nfs/dbraw/zinc/57/44/78/493574478.db2.gz OFLUVNDKBPWQNG-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000670537414 493578186 /nfs/dbraw/zinc/57/81/86/493578186.db2.gz DICBJSAWFYXBGJ-HNNXBMFYSA-N 2 2 363.462 0.274 20 0 FCADLP Cc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670644040 493584787 /nfs/dbraw/zinc/58/47/87/493584787.db2.gz SYZHKZUQZJQENO-KRWDZBQOSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670644040 493584789 /nfs/dbraw/zinc/58/47/89/493584789.db2.gz SYZHKZUQZJQENO-KRWDZBQOSA-N 2 2 358.486 0.896 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(C)(C)CO ZINC000663404970 493587569 /nfs/dbraw/zinc/58/75/69/493587569.db2.gz PKDJVSMONCXIIM-AWEZNQCLSA-N 2 2 353.467 0.501 20 0 FCADLP CSc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000677265894 493593882 /nfs/dbraw/zinc/59/38/82/493593882.db2.gz BWBQIHNELBGWIL-KBPBESRZSA-N 2 2 362.499 0.957 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000663558113 493598157 /nfs/dbraw/zinc/59/81/57/493598157.db2.gz IYQJMLNLRNZEFY-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000663558113 493598159 /nfs/dbraw/zinc/59/81/59/493598159.db2.gz IYQJMLNLRNZEFY-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000663558113 493598162 /nfs/dbraw/zinc/59/81/62/493598162.db2.gz IYQJMLNLRNZEFY-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000663558113 493598164 /nfs/dbraw/zinc/59/81/64/493598164.db2.gz IYQJMLNLRNZEFY-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663558115 493598225 /nfs/dbraw/zinc/59/82/25/493598225.db2.gz IYQJMLNLRNZEFY-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663558115 493598227 /nfs/dbraw/zinc/59/82/27/493598227.db2.gz IYQJMLNLRNZEFY-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000663558115 493598228 /nfs/dbraw/zinc/59/82/28/493598228.db2.gz IYQJMLNLRNZEFY-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000663558115 493598230 /nfs/dbraw/zinc/59/82/30/493598230.db2.gz IYQJMLNLRNZEFY-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663637718 493608683 /nfs/dbraw/zinc/60/86/83/493608683.db2.gz CSECIOMAKULLND-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913747 493611575 /nfs/dbraw/zinc/61/15/75/493611575.db2.gz KREZATZXDIORAQ-PMPSAXMXSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913747 493611578 /nfs/dbraw/zinc/61/15/78/493611578.db2.gz KREZATZXDIORAQ-PMPSAXMXSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913746 493611671 /nfs/dbraw/zinc/61/16/71/493611671.db2.gz KREZATZXDIORAQ-OWCLPIDISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913746 493611672 /nfs/dbraw/zinc/61/16/72/493611672.db2.gz KREZATZXDIORAQ-OWCLPIDISA-N 2 2 350.507 0.966 20 0 FCADLP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677912634 493623540 /nfs/dbraw/zinc/62/35/40/493623540.db2.gz UHOAQYNFUINNGT-AWEZNQCLSA-N 2 2 370.475 0.168 20 0 FCADLP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677912634 493623543 /nfs/dbraw/zinc/62/35/43/493623543.db2.gz UHOAQYNFUINNGT-AWEZNQCLSA-N 2 2 370.475 0.168 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000678070010 493632666 /nfs/dbraw/zinc/63/26/66/493632666.db2.gz WUTPRIZNEUUORT-HNNXBMFYSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000678070010 493632669 /nfs/dbraw/zinc/63/26/69/493632669.db2.gz WUTPRIZNEUUORT-HNNXBMFYSA-N 2 2 360.462 0.232 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671337592 493656957 /nfs/dbraw/zinc/65/69/57/493656957.db2.gz ZCPWOOUCDKVYLM-RDJZCZTQSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671337592 493656959 /nfs/dbraw/zinc/65/69/59/493656959.db2.gz ZCPWOOUCDKVYLM-RDJZCZTQSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000671374287 493661854 /nfs/dbraw/zinc/66/18/54/493661854.db2.gz SDUIZALEARCRQW-SFHVURJKSA-N 2 2 374.485 0.516 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000671374287 493661855 /nfs/dbraw/zinc/66/18/55/493661855.db2.gz SDUIZALEARCRQW-SFHVURJKSA-N 2 2 374.485 0.516 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000664489424 493662666 /nfs/dbraw/zinc/66/26/66/493662666.db2.gz BBMRVILJAFDBET-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000664489424 493662667 /nfs/dbraw/zinc/66/26/67/493662667.db2.gz BBMRVILJAFDBET-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000664538915 493666396 /nfs/dbraw/zinc/66/63/96/493666396.db2.gz JLIMADQQHKESQP-GOSISDBHSA-N 3 2 367.538 0.565 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)CC1 ZINC000664596260 493670238 /nfs/dbraw/zinc/67/02/38/493670238.db2.gz IDAZXEXJCKZBAE-MRXNPFEDSA-N 2 2 361.490 0.863 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)CC1 ZINC000664596260 493670239 /nfs/dbraw/zinc/67/02/39/493670239.db2.gz IDAZXEXJCKZBAE-MRXNPFEDSA-N 2 2 361.490 0.863 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)CC1 ZINC000664596260 493670240 /nfs/dbraw/zinc/67/02/40/493670240.db2.gz IDAZXEXJCKZBAE-MRXNPFEDSA-N 2 2 361.490 0.863 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)CC1 ZINC000664596260 493670241 /nfs/dbraw/zinc/67/02/41/493670241.db2.gz IDAZXEXJCKZBAE-MRXNPFEDSA-N 2 2 361.490 0.863 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000664815045 493684867 /nfs/dbraw/zinc/68/48/67/493684867.db2.gz KHPDNRLQAVIFEH-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000664815045 493684870 /nfs/dbraw/zinc/68/48/70/493684870.db2.gz KHPDNRLQAVIFEH-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000664815045 493684871 /nfs/dbraw/zinc/68/48/71/493684871.db2.gz KHPDNRLQAVIFEH-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000664815045 493684874 /nfs/dbraw/zinc/68/48/74/493684874.db2.gz KHPDNRLQAVIFEH-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679635957 493689840 /nfs/dbraw/zinc/68/98/40/493689840.db2.gz JGAYRYPIRNAZGH-CQSZACIVSA-N 2 2 358.446 0.675 20 0 FCADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679635957 493689841 /nfs/dbraw/zinc/68/98/41/493689841.db2.gz JGAYRYPIRNAZGH-CQSZACIVSA-N 2 2 358.446 0.675 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](CC(N)=O)CC2)CC1 ZINC000671609304 493696742 /nfs/dbraw/zinc/69/67/42/493696742.db2.gz BVDJKINUPLHNLR-OAHLLOKOSA-N 2 2 353.511 0.700 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000665163463 493702686 /nfs/dbraw/zinc/70/26/86/493702686.db2.gz PJADBDGYIASLAK-UHFFFAOYSA-N 2 2 358.527 0.737 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000665163463 493702688 /nfs/dbraw/zinc/70/26/88/493702688.db2.gz PJADBDGYIASLAK-UHFFFAOYSA-N 2 2 358.527 0.737 20 0 FCADLP COC[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671811513 493706333 /nfs/dbraw/zinc/70/63/33/493706333.db2.gz SJSUWWAYDSOYIE-ZBFHGGJFSA-N 2 2 354.495 0.012 20 0 FCADLP COC[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671811513 493706335 /nfs/dbraw/zinc/70/63/35/493706335.db2.gz SJSUWWAYDSOYIE-ZBFHGGJFSA-N 2 2 354.495 0.012 20 0 FCADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000680339248 493714600 /nfs/dbraw/zinc/71/46/00/493714600.db2.gz PVHKGJLSNFRDQP-FQEVSTJZSA-N 2 2 374.529 0.986 20 0 FCADLP CN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680438357 493717137 /nfs/dbraw/zinc/71/71/37/493717137.db2.gz BLKRXMZCEUSWFF-HNNXBMFYSA-N 2 2 357.462 0.604 20 0 FCADLP CN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680438357 493717139 /nfs/dbraw/zinc/71/71/39/493717139.db2.gz BLKRXMZCEUSWFF-HNNXBMFYSA-N 2 2 357.462 0.604 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000672007266 493723589 /nfs/dbraw/zinc/72/35/89/493723589.db2.gz GAZYKCOGJLNYMK-RDJZCZTQSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672010681 493723941 /nfs/dbraw/zinc/72/39/41/493723941.db2.gz XQFUUXZKOBNDBV-MRXNPFEDSA-N 2 2 373.501 0.885 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000672206631 493742889 /nfs/dbraw/zinc/74/28/89/493742889.db2.gz CICZSMDQOMCJJU-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000672206631 493742890 /nfs/dbraw/zinc/74/28/90/493742890.db2.gz CICZSMDQOMCJJU-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214927 493750931 /nfs/dbraw/zinc/75/09/31/493750931.db2.gz DWQLQIDHLUDWAN-WMZOPIPTSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214927 493750932 /nfs/dbraw/zinc/75/09/32/493750932.db2.gz DWQLQIDHLUDWAN-WMZOPIPTSA-N 2 2 368.522 0.849 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000672358574 493759354 /nfs/dbraw/zinc/75/93/54/493759354.db2.gz SLDKBXGIXDMVCG-CQSZACIVSA-N 2 2 363.462 0.015 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000672358574 493759356 /nfs/dbraw/zinc/75/93/56/493759356.db2.gz SLDKBXGIXDMVCG-CQSZACIVSA-N 2 2 363.462 0.015 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441401554 534694830 /nfs/dbraw/zinc/69/48/30/534694830.db2.gz HWCZVPDJPBYBAZ-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441401554 534694836 /nfs/dbraw/zinc/69/48/36/534694836.db2.gz HWCZVPDJPBYBAZ-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441401554 534694842 /nfs/dbraw/zinc/69/48/42/534694842.db2.gz HWCZVPDJPBYBAZ-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441401554 534694848 /nfs/dbraw/zinc/69/48/48/534694848.db2.gz HWCZVPDJPBYBAZ-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000410892593 527841192 /nfs/dbraw/zinc/84/11/92/527841192.db2.gz WQOFBPQXQKPMRU-DLBZAZTESA-N 2 2 368.522 0.356 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000410892593 527841196 /nfs/dbraw/zinc/84/11/96/527841196.db2.gz WQOFBPQXQKPMRU-DLBZAZTESA-N 2 2 368.522 0.356 20 0 FCADLP CCO[C@H]1C[C@@](CO)(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000189563145 528115495 /nfs/dbraw/zinc/11/54/95/528115495.db2.gz DHIWLOYSQLURKP-LPHOPBHVSA-N 2 2 370.538 0.878 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)CC[N@@H+]1C ZINC000410699327 528718353 /nfs/dbraw/zinc/71/83/53/528718353.db2.gz POWZDFVYVCYXRO-BBWFWOEESA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)CC[N@H+]1C ZINC000410699327 528718360 /nfs/dbraw/zinc/71/83/60/528718360.db2.gz POWZDFVYVCYXRO-BBWFWOEESA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)CC[NH+]1C ZINC000410699327 528718366 /nfs/dbraw/zinc/71/83/66/528718366.db2.gz POWZDFVYVCYXRO-BBWFWOEESA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)CC[NH+]1C ZINC000410699327 528718372 /nfs/dbraw/zinc/71/83/72/528718372.db2.gz POWZDFVYVCYXRO-BBWFWOEESA-N 2 2 350.507 0.870 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410468069 529115549 /nfs/dbraw/zinc/11/55/49/529115549.db2.gz LQCPCDKXRMJMQR-CABCVRRESA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410469000 529116270 /nfs/dbraw/zinc/11/62/70/529116270.db2.gz CGPPHZAMHMUPMX-GJZGRUSLSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410469000 529116273 /nfs/dbraw/zinc/11/62/73/529116273.db2.gz CGPPHZAMHMUPMX-GJZGRUSLSA-N 2 2 362.478 0.168 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)CN2CCOCC2)CC1 ZINC000178933866 529130715 /nfs/dbraw/zinc/13/07/15/529130715.db2.gz XMISKGYJVFSIEM-QGZVFWFLSA-N 2 2 354.539 0.829 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)CN2CCOCC2)CC1 ZINC000178933866 529130719 /nfs/dbraw/zinc/13/07/19/529130719.db2.gz XMISKGYJVFSIEM-QGZVFWFLSA-N 2 2 354.539 0.829 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000413428150 529217880 /nfs/dbraw/zinc/21/78/80/529217880.db2.gz PLQTZELQOAOEGV-HRCADAONSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000330974198 529229810 /nfs/dbraw/zinc/22/98/10/529229810.db2.gz CINPXPDSCZTRLG-MRXNPFEDSA-N 2 2 355.504 0.825 20 0 FCADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613061 529303765 /nfs/dbraw/zinc/30/37/65/529303765.db2.gz CROSPPPGTQTYDS-JKSUJKDBSA-N 2 2 374.489 0.139 20 0 FCADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613061 529303767 /nfs/dbraw/zinc/30/37/67/529303767.db2.gz CROSPPPGTQTYDS-JKSUJKDBSA-N 2 2 374.489 0.139 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000424125546 535015070 /nfs/dbraw/zinc/01/50/70/535015070.db2.gz AFKZLTVMAGSLMA-ZBFHGGJFSA-N 2 2 350.467 0.289 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOCC)CC1)C1CC[NH2+]CC1 ZINC000423702588 535188062 /nfs/dbraw/zinc/18/80/62/535188062.db2.gz YSWZDAWLQFHPGH-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000423545944 535604240 /nfs/dbraw/zinc/60/42/40/535604240.db2.gz BGHHUELTCUSRFE-ILXRZTDVSA-N 2 2 362.478 0.201 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000423733386 535605055 /nfs/dbraw/zinc/60/50/55/535605055.db2.gz NJNBWLJRHCVSIA-ZNMIVQPWSA-N 2 2 362.478 0.201 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681671 535792324 /nfs/dbraw/zinc/79/23/24/535792324.db2.gz JFHDABFOKLEHDO-UONOGXRCSA-N 2 2 362.478 0.598 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691617 536073501 /nfs/dbraw/zinc/07/35/01/536073501.db2.gz HDPUCPRWQLYDDV-OAHLLOKOSA-N 2 2 369.535 0.646 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691617 536073505 /nfs/dbraw/zinc/07/35/05/536073505.db2.gz HDPUCPRWQLYDDV-OAHLLOKOSA-N 2 2 369.535 0.646 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000419307703 536368223 /nfs/dbraw/zinc/36/82/23/536368223.db2.gz OCTMRMALGJZXAY-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415261571 536416789 /nfs/dbraw/zinc/41/67/89/536416789.db2.gz DSPLRCSDKPHYJZ-MRXNPFEDSA-N 2 2 359.474 0.322 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419708178 536449808 /nfs/dbraw/zinc/44/98/08/536449808.db2.gz GWUQHXHEOSKYHE-CYBMUJFWSA-N 2 2 366.893 0.786 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419708178 536449811 /nfs/dbraw/zinc/44/98/11/536449811.db2.gz GWUQHXHEOSKYHE-CYBMUJFWSA-N 2 2 366.893 0.786 20 0 FCADLP COC[C@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[NH2+]C1 ZINC000423305760 536654225 /nfs/dbraw/zinc/65/42/25/536654225.db2.gz CSDNRRYAKKRLLW-IBGZPJMESA-N 2 2 357.458 0.605 20 0 FCADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OCC(=O)N1CCOCC1 ZINC000414853331 536799897 /nfs/dbraw/zinc/79/98/97/536799897.db2.gz XMFOLXQEPHOKHP-MRXNPFEDSA-N 2 2 363.458 0.774 20 0 FCADLP CN(C(=O)CCCNC(=O)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830495 546534908 /nfs/dbraw/zinc/53/49/08/546534908.db2.gz NLWYMKPSJNHKTG-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)CCCNC(=O)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830495 546534911 /nfs/dbraw/zinc/53/49/11/546534911.db2.gz NLWYMKPSJNHKTG-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1=O ZINC000593908615 546766713 /nfs/dbraw/zinc/76/67/13/546766713.db2.gz BHFGKDPNCMFKHE-NWDGAFQWSA-N 2 2 368.459 0.035 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000594305998 546780570 /nfs/dbraw/zinc/78/05/70/546780570.db2.gz LMXCPDIJQHXKRW-HNNXBMFYSA-N 2 2 356.511 0.896 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000594305998 546780576 /nfs/dbraw/zinc/78/05/76/546780576.db2.gz LMXCPDIJQHXKRW-HNNXBMFYSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000245384897 546843592 /nfs/dbraw/zinc/84/35/92/546843592.db2.gz YTXQNCWLQKFVQW-BRWVUGGUSA-N 2 2 354.495 0.602 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000447036189 546851928 /nfs/dbraw/zinc/85/19/28/546851928.db2.gz GEZICCVPDCDXBD-UHFFFAOYSA-N 2 2 354.495 0.197 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000647940318 546872363 /nfs/dbraw/zinc/87/23/63/546872363.db2.gz SWNHCSMNRVEEOJ-CZUORRHYSA-N 2 2 368.503 0.935 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000647940318 546872367 /nfs/dbraw/zinc/87/23/67/546872367.db2.gz SWNHCSMNRVEEOJ-CZUORRHYSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000550656580 547095017 /nfs/dbraw/zinc/09/50/17/547095017.db2.gz HGKLWXIDOWYMRH-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000550656580 547095020 /nfs/dbraw/zinc/09/50/20/547095020.db2.gz HGKLWXIDOWYMRH-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000551142335 547128430 /nfs/dbraw/zinc/12/84/30/547128430.db2.gz APZIDEYINPSVBU-CVEARBPZSA-N 2 2 374.551 0.573 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000551142335 547128431 /nfs/dbraw/zinc/12/84/31/547128431.db2.gz APZIDEYINPSVBU-CVEARBPZSA-N 2 2 374.551 0.573 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624347 547156381 /nfs/dbraw/zinc/15/63/81/547156381.db2.gz OTHGUUUKQRFFAQ-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624347 547156385 /nfs/dbraw/zinc/15/63/85/547156385.db2.gz OTHGUUUKQRFFAQ-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000552499135 547212833 /nfs/dbraw/zinc/21/28/33/547212833.db2.gz VLXOLWUCTKQJNS-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000552984806 547244185 /nfs/dbraw/zinc/24/41/85/547244185.db2.gz HHINAGIWVITAPR-HOTGVXAUSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000552984806 547244187 /nfs/dbraw/zinc/24/41/87/547244187.db2.gz HHINAGIWVITAPR-HOTGVXAUSA-N 2 2 370.563 0.825 20 0 FCADLP Cc1onc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000550684331 547379417 /nfs/dbraw/zinc/37/94/17/547379417.db2.gz SLWUSSORRFLNJE-UHFFFAOYSA-N 2 2 351.451 0.714 20 0 FCADLP Cc1onc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000550684331 547379420 /nfs/dbraw/zinc/37/94/20/547379420.db2.gz SLWUSSORRFLNJE-UHFFFAOYSA-N 2 2 351.451 0.714 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccs1 ZINC000162360882 547390472 /nfs/dbraw/zinc/39/04/72/547390472.db2.gz FPIXEXKVXNWKGS-HNNXBMFYSA-N 2 2 370.519 0.687 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000170741962 547401391 /nfs/dbraw/zinc/40/13/91/547401391.db2.gz YTXQNCWLQKFVQW-ZACQAIPSSA-N 2 2 354.495 0.602 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000047983556 547412807 /nfs/dbraw/zinc/41/28/07/547412807.db2.gz NHZAYHMKPXMRGD-RDJZCZTQSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000047983556 547412811 /nfs/dbraw/zinc/41/28/11/547412811.db2.gz NHZAYHMKPXMRGD-RDJZCZTQSA-N 2 2 350.507 0.777 20 0 FCADLP O=C1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000181979981 568331564 /nfs/dbraw/zinc/33/15/64/568331564.db2.gz ZCWVWOSMIRMYBP-JFRXWTBNSA-N 2 2 363.502 0.857 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736858469 599079781 /nfs/dbraw/zinc/07/97/81/599079781.db2.gz RYCNFZDHBHCNHU-QGZVFWFLSA-N 2 2 371.489 0.957 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736858469 599079783 /nfs/dbraw/zinc/07/97/83/599079783.db2.gz RYCNFZDHBHCNHU-QGZVFWFLSA-N 2 2 371.489 0.957 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736748037 598275296 /nfs/dbraw/zinc/27/52/96/598275296.db2.gz VHXAIFOEUHKEAT-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736748037 598275298 /nfs/dbraw/zinc/27/52/98/598275298.db2.gz VHXAIFOEUHKEAT-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCCC[C@H]1C ZINC000736266066 598521248 /nfs/dbraw/zinc/52/12/48/598521248.db2.gz FGBOLGVEVHRBJG-MGPQQGTHSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCCC[C@H]1C ZINC000736266066 598521250 /nfs/dbraw/zinc/52/12/50/598521250.db2.gz FGBOLGVEVHRBJG-MGPQQGTHSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736247718 598531728 /nfs/dbraw/zinc/53/17/28/598531728.db2.gz GUVADPWZLHIGSM-MGPQQGTHSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000736198189 599316454 /nfs/dbraw/zinc/31/64/54/599316454.db2.gz HLRAEMXYLSHBSR-QAPCUYQASA-N 2 2 371.489 0.876 20 0 FCADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000736198189 599316458 /nfs/dbraw/zinc/31/64/58/599316458.db2.gz HLRAEMXYLSHBSR-QAPCUYQASA-N 2 2 371.489 0.876 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737987961 599319377 /nfs/dbraw/zinc/31/93/77/599319377.db2.gz FOHAUUIDUBAPKU-UHFFFAOYSA-N 2 2 366.429 0.798 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737987961 599319379 /nfs/dbraw/zinc/31/93/79/599319379.db2.gz FOHAUUIDUBAPKU-UHFFFAOYSA-N 2 2 366.429 0.798 20 0 FCADLP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCCNc1cccc[nH+]1)C2 ZINC000738436644 599599462 /nfs/dbraw/zinc/59/94/62/599599462.db2.gz UJPQXBDIMDUTSJ-CYBMUJFWSA-N 2 2 368.449 0.982 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826330692 607529664 /nfs/dbraw/zinc/52/96/64/607529664.db2.gz DLPMRXYGGKSLKK-UHFFFAOYSA-N 2 2 353.434 0.979 20 0 FCADLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000821989434 606043359 /nfs/dbraw/zinc/04/33/59/606043359.db2.gz KYXKFVWJOAGSLI-AWEZNQCLSA-N 2 2 357.462 0.851 20 0 FCADLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000821989434 606043365 /nfs/dbraw/zinc/04/33/65/606043365.db2.gz KYXKFVWJOAGSLI-AWEZNQCLSA-N 2 2 357.462 0.851 20 0 FCADLP C[NH+](C)[C@]1(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CCSC1 ZINC000821581814 606238381 /nfs/dbraw/zinc/23/83/81/606238381.db2.gz VFLBJEHBZLFBDE-NHYWBVRUSA-N 2 2 363.495 0.132 20 0 FCADLP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCNc1cccc[nH+]1)C2 ZINC000823787951 606337935 /nfs/dbraw/zinc/33/79/35/606337935.db2.gz RQADAPOFTWHIFX-LBPRGKRZSA-N 2 2 354.422 0.592 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821576000 606414800 /nfs/dbraw/zinc/41/48/00/606414800.db2.gz YAUOTTYZYIJOPQ-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821576000 606414802 /nfs/dbraw/zinc/41/48/02/606414802.db2.gz YAUOTTYZYIJOPQ-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824992336 608170901 /nfs/dbraw/zinc/17/09/01/608170901.db2.gz MFFKHTGZBCTWQM-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824992336 608170903 /nfs/dbraw/zinc/17/09/03/608170903.db2.gz MFFKHTGZBCTWQM-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP COC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736981317 609184756 /nfs/dbraw/zinc/18/47/56/609184756.db2.gz YUXMKOSLOPNHMB-ZDUSSCGKSA-N 2 2 369.429 0.544 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000891230787 663333629 /nfs/dbraw/zinc/33/36/29/663333629.db2.gz NSXHUDZFFHSCDK-FVQBIDKESA-N 2 2 352.479 0.605 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000891230787 663333632 /nfs/dbraw/zinc/33/36/32/663333632.db2.gz NSXHUDZFFHSCDK-FVQBIDKESA-N 2 2 352.479 0.605 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891412049 663385748 /nfs/dbraw/zinc/38/57/48/663385748.db2.gz UQZTWRPSTAFPBU-YQQAZPJKSA-N 2 2 354.520 0.730 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000933336942 663392799 /nfs/dbraw/zinc/39/27/99/663392799.db2.gz SHYCKEXDLKZOBD-KURKYZTESA-N 2 2 351.491 0.811 20 0 FCADLP C[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000891515940 663411316 /nfs/dbraw/zinc/41/13/16/663411316.db2.gz DEIGCSQPCLNORF-NEPJUHHUSA-N 2 2 353.492 0.779 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891528258 663412224 /nfs/dbraw/zinc/41/22/24/663412224.db2.gz NYQZJLBBBDWTBC-FRRDWIJNSA-N 2 2 351.417 0.401 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@H]1C[NH2+]CCO1 ZINC000892181047 663486143 /nfs/dbraw/zinc/48/61/43/663486143.db2.gz QKYFFAIRQKUMSZ-CQSZACIVSA-N 2 2 351.476 0.422 20 0 FCADLP CC(C)=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431400 663533219 /nfs/dbraw/zinc/53/32/19/663533219.db2.gz QFYUXACNUUSRPV-LMMKCTJWSA-N 2 2 351.491 0.975 20 0 FCADLP CC(C)=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431400 663533221 /nfs/dbraw/zinc/53/32/21/663533221.db2.gz QFYUXACNUUSRPV-LMMKCTJWSA-N 2 2 351.491 0.975 20 0 FCADLP CC(C)=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431400 663533222 /nfs/dbraw/zinc/53/32/22/663533222.db2.gz QFYUXACNUUSRPV-LMMKCTJWSA-N 2 2 351.491 0.975 20 0 FCADLP CC(C)=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431400 663533223 /nfs/dbraw/zinc/53/32/23/663533223.db2.gz QFYUXACNUUSRPV-LMMKCTJWSA-N 2 2 351.491 0.975 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001023451337 663628142 /nfs/dbraw/zinc/62/81/42/663628142.db2.gz OQTMCWUWLIWXPE-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001023451337 663628145 /nfs/dbraw/zinc/62/81/45/663628145.db2.gz OQTMCWUWLIWXPE-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001023451337 663628147 /nfs/dbraw/zinc/62/81/47/663628147.db2.gz OQTMCWUWLIWXPE-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001023451337 663628148 /nfs/dbraw/zinc/62/81/48/663628148.db2.gz OQTMCWUWLIWXPE-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001023451338 663628324 /nfs/dbraw/zinc/62/83/24/663628324.db2.gz OQTMCWUWLIWXPE-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001023451338 663628325 /nfs/dbraw/zinc/62/83/25/663628325.db2.gz OQTMCWUWLIWXPE-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001023451338 663628327 /nfs/dbraw/zinc/62/83/27/663628327.db2.gz OQTMCWUWLIWXPE-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001023451338 663628330 /nfs/dbraw/zinc/62/83/30/663628330.db2.gz OQTMCWUWLIWXPE-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCO1 ZINC000892513816 663994258 /nfs/dbraw/zinc/99/42/58/663994258.db2.gz LMAVTFRYOGWYBS-HNNXBMFYSA-N 2 2 365.503 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnns2)O1 ZINC001025002215 664035822 /nfs/dbraw/zinc/03/58/22/664035822.db2.gz YEFBFXULKDDQKG-UMVBOHGHSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnns2)O1 ZINC001025002215 664035825 /nfs/dbraw/zinc/03/58/25/664035825.db2.gz YEFBFXULKDDQKG-UMVBOHGHSA-N 2 2 353.492 0.728 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)CC[NH+]2CCOCC2)c2cccs2)CC1 ZINC000725878882 664201766 /nfs/dbraw/zinc/20/17/66/664201766.db2.gz ZJHROEIOYKQPBX-INIZCTEOSA-N 2 2 366.531 0.875 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC001027966768 664479458 /nfs/dbraw/zinc/47/94/58/664479458.db2.gz UUBVBYJUOBMIRD-UMVBOHGHSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC001027966768 664479460 /nfs/dbraw/zinc/47/94/60/664479460.db2.gz UUBVBYJUOBMIRD-UMVBOHGHSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)sn1 ZINC001027966768 664479462 /nfs/dbraw/zinc/47/94/62/664479462.db2.gz UUBVBYJUOBMIRD-UMVBOHGHSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)sn1 ZINC001027966768 664479465 /nfs/dbraw/zinc/47/94/65/664479465.db2.gz UUBVBYJUOBMIRD-UMVBOHGHSA-N 2 2 368.503 0.951 20 0 FCADLP C[NH+](C)Cc1ccc(C[NH2+]CCNS(C)(=O)=O)c2c1OC(F)(F)O2 ZINC000894136899 664897310 /nfs/dbraw/zinc/89/73/10/664897310.db2.gz GEFAJJIIDBPRIA-UHFFFAOYSA-N 2 2 365.402 0.709 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323564 665037976 /nfs/dbraw/zinc/03/79/76/665037976.db2.gz DMMUZZLOEQGTSH-IEBWSBKVSA-N 2 2 350.459 0.715 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323564 665037978 /nfs/dbraw/zinc/03/79/78/665037978.db2.gz DMMUZZLOEQGTSH-IEBWSBKVSA-N 2 2 350.459 0.715 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000896593557 665098595 /nfs/dbraw/zinc/09/85/95/665098595.db2.gz BUTUZTAEJQWAOV-GJZGRUSLSA-N 2 2 367.519 0.945 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC000896593557 665098597 /nfs/dbraw/zinc/09/85/97/665098597.db2.gz BUTUZTAEJQWAOV-GJZGRUSLSA-N 2 2 367.519 0.945 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766516 665171388 /nfs/dbraw/zinc/17/13/88/665171388.db2.gz CMQRGEXBMUHJRV-XNRPHZJLSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766516 665171389 /nfs/dbraw/zinc/17/13/89/665171389.db2.gz CMQRGEXBMUHJRV-XNRPHZJLSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nonc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766516 665171391 /nfs/dbraw/zinc/17/13/91/665171391.db2.gz CMQRGEXBMUHJRV-XNRPHZJLSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nonc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766516 665171392 /nfs/dbraw/zinc/17/13/92/665171392.db2.gz CMQRGEXBMUHJRV-XNRPHZJLSA-N 2 2 351.451 0.377 20 0 FCADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCOC1 ZINC000905051490 666002389 /nfs/dbraw/zinc/00/23/89/666002389.db2.gz CTSUGWADMJAGHU-RBUKOAKNSA-N 2 2 350.459 0.511 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906578535 666058669 /nfs/dbraw/zinc/05/86/69/666058669.db2.gz DQMMLPHLEKHKPH-UHFFFAOYSA-N 2 2 352.479 0.471 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000906813160 666069268 /nfs/dbraw/zinc/06/92/68/666069268.db2.gz BYCUCAYYEZYSJH-MWDXBVQZSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000906813160 666069270 /nfs/dbraw/zinc/06/92/70/666069270.db2.gz BYCUCAYYEZYSJH-MWDXBVQZSA-N 2 2 350.507 0.728 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000908527421 666210494 /nfs/dbraw/zinc/21/04/94/666210494.db2.gz UIECKUJALUFHBK-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000908527421 666210497 /nfs/dbraw/zinc/21/04/97/666210497.db2.gz UIECKUJALUFHBK-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000908527421 666210500 /nfs/dbraw/zinc/21/05/00/666210500.db2.gz UIECKUJALUFHBK-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000908527421 666210503 /nfs/dbraw/zinc/21/05/03/666210503.db2.gz UIECKUJALUFHBK-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000911065434 666309134 /nfs/dbraw/zinc/30/91/34/666309134.db2.gz CEEAFNGPJBOSRY-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@@H]1C ZINC000911533172 666363143 /nfs/dbraw/zinc/36/31/43/666363143.db2.gz IYNGPMIYUYRQRG-HDICACEKSA-N 2 2 354.539 0.970 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@@H]1C ZINC000911533172 666363147 /nfs/dbraw/zinc/36/31/47/666363147.db2.gz IYNGPMIYUYRQRG-HDICACEKSA-N 2 2 354.539 0.970 20 0 FCADLP Cc1nc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001031765733 666495727 /nfs/dbraw/zinc/49/57/27/666495727.db2.gz NNSAIZOWNKLFMS-MLGOLLRUSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001031765733 666495732 /nfs/dbraw/zinc/49/57/32/666495732.db2.gz NNSAIZOWNKLFMS-MLGOLLRUSA-N 2 2 352.504 0.761 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000069109646 666496446 /nfs/dbraw/zinc/49/64/46/666496446.db2.gz NFQXYMZURZLQOT-HZPDHXFCSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000069109646 666496449 /nfs/dbraw/zinc/49/64/49/666496449.db2.gz NFQXYMZURZLQOT-HZPDHXFCSA-N 2 2 372.535 0.421 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC000069440464 666512879 /nfs/dbraw/zinc/51/28/79/666512879.db2.gz PEXQPLXRGBINEN-ZDUSSCGKSA-N 2 2 360.524 0.277 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+](C)C1CC1 ZINC000069440464 666512881 /nfs/dbraw/zinc/51/28/81/666512881.db2.gz PEXQPLXRGBINEN-ZDUSSCGKSA-N 2 2 360.524 0.277 20 0 FCADLP O=C(NCC1C[NH+](CC2CCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001031869389 666537910 /nfs/dbraw/zinc/53/79/10/666537910.db2.gz UNBIXADVJVDTLY-MSOLQXFVSA-N 2 2 351.491 0.714 20 0 FCADLP O=C(NCC1C[NH+](CCC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001031868845 666537957 /nfs/dbraw/zinc/53/79/57/666537957.db2.gz KWLFOJGYTOUODU-MSOLQXFVSA-N 2 2 351.491 0.714 20 0 FCADLP CCOC(=O)[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000349354432 666548404 /nfs/dbraw/zinc/54/84/04/666548404.db2.gz YYXBEGNCABPUPH-AWEZNQCLSA-N 2 2 352.435 0.029 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000171938624 666598152 /nfs/dbraw/zinc/59/81/52/666598152.db2.gz VITOACRGAMUVHT-QGZVFWFLSA-N 2 2 367.515 0.915 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000173900996 666607094 /nfs/dbraw/zinc/60/70/94/666607094.db2.gz QPMGBSQDQWRVGL-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000173900996 666607098 /nfs/dbraw/zinc/60/70/98/666607098.db2.gz QPMGBSQDQWRVGL-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000173900996 666607100 /nfs/dbraw/zinc/60/71/00/666607100.db2.gz QPMGBSQDQWRVGL-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000173900996 666607103 /nfs/dbraw/zinc/60/71/03/666607103.db2.gz QPMGBSQDQWRVGL-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP O=C(NC1C[NH+](CC2CCCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001030718317 666612870 /nfs/dbraw/zinc/61/28/70/666612870.db2.gz TZUVICCXJXSJQR-MSOLQXFVSA-N 2 2 351.491 0.857 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031986796 666692584 /nfs/dbraw/zinc/69/25/84/666692584.db2.gz FEHXREGOJSCXOP-NFAWXSAZSA-N 2 2 354.401 0.996 20 0 FCADLP C[NH+](C)CCNC(=S)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000731951790 666849294 /nfs/dbraw/zinc/84/92/94/666849294.db2.gz KMDZVLFZUSGVES-KRWDZBQOSA-N 2 2 350.532 0.956 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000732463725 666874666 /nfs/dbraw/zinc/87/46/66/666874666.db2.gz QQASVHFDIRRHEB-MRXNPFEDSA-N 2 2 374.551 0.667 20 0 FCADLP CC1(C)CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H]1[NH2+]CCF ZINC000996074624 666898971 /nfs/dbraw/zinc/89/89/71/666898971.db2.gz BLIWGNFJWWGCQJ-PMPSAXMXSA-N 2 2 357.470 0.662 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993579572 666917828 /nfs/dbraw/zinc/91/78/28/666917828.db2.gz RTTYFPIWSDAMTN-QJPTWQEYSA-N 2 2 355.389 0.048 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993579572 666917829 /nfs/dbraw/zinc/91/78/29/666917829.db2.gz RTTYFPIWSDAMTN-QJPTWQEYSA-N 2 2 355.389 0.048 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(F)F ZINC000993591837 666922535 /nfs/dbraw/zinc/92/25/35/666922535.db2.gz MHYQWZAIUODMQY-IJLUTSLNSA-N 2 2 355.389 0.190 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(F)F ZINC000993591837 666922537 /nfs/dbraw/zinc/92/25/37/666922537.db2.gz MHYQWZAIUODMQY-IJLUTSLNSA-N 2 2 355.389 0.190 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000996715494 666965341 /nfs/dbraw/zinc/96/53/41/666965341.db2.gz GLKGVOGXYGQRQV-LALPHHSUSA-N 2 2 350.467 0.474 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000996715494 666965344 /nfs/dbraw/zinc/96/53/44/666965344.db2.gz GLKGVOGXYGQRQV-LALPHHSUSA-N 2 2 350.467 0.474 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000735983528 667063552 /nfs/dbraw/zinc/06/35/52/667063552.db2.gz ASKWUBPITSCNHP-UHFFFAOYSA-N 2 2 370.563 0.627 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000919990158 667215612 /nfs/dbraw/zinc/21/56/12/667215612.db2.gz MVXLZHLHKCCELC-WMLDXEAASA-N 2 2 354.520 0.661 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000919990158 667215614 /nfs/dbraw/zinc/21/56/14/667215614.db2.gz MVXLZHLHKCCELC-WMLDXEAASA-N 2 2 354.520 0.661 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499063 667240907 /nfs/dbraw/zinc/24/09/07/667240907.db2.gz YYCBBBAHKOOFSX-RBSFLKMASA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499063 667240911 /nfs/dbraw/zinc/24/09/11/667240911.db2.gz YYCBBBAHKOOFSX-RBSFLKMASA-N 2 2 350.467 0.098 20 0 FCADLP O=C(NCC1CC[NH+](CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001001675155 667498342 /nfs/dbraw/zinc/49/83/42/667498342.db2.gz WSSASUOISAFMMH-SJORKVTESA-N 2 2 357.470 0.664 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001033185691 667713675 /nfs/dbraw/zinc/71/36/75/667713675.db2.gz PEWITOAUNQKSBG-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001033185691 667713677 /nfs/dbraw/zinc/71/36/77/667713677.db2.gz PEWITOAUNQKSBG-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)O1 ZINC001033185691 667713678 /nfs/dbraw/zinc/71/36/78/667713678.db2.gz PEWITOAUNQKSBG-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)O1 ZINC001033185691 667713680 /nfs/dbraw/zinc/71/36/80/667713680.db2.gz PEWITOAUNQKSBG-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[N@H+](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCSC1 ZINC000758020110 667741931 /nfs/dbraw/zinc/74/19/31/667741931.db2.gz GNBOPCFPJXYPNU-AWEZNQCLSA-N 2 2 363.549 0.049 20 0 FCADLP C[N@@H+](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCSC1 ZINC000758020110 667741935 /nfs/dbraw/zinc/74/19/35/667741935.db2.gz GNBOPCFPJXYPNU-AWEZNQCLSA-N 2 2 363.549 0.049 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923333277 667826060 /nfs/dbraw/zinc/82/60/60/667826060.db2.gz QAMCBARCMAHLNK-CABCVRRESA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000923333277 667826066 /nfs/dbraw/zinc/82/60/66/667826066.db2.gz QAMCBARCMAHLNK-CABCVRRESA-N 2 2 367.877 0.976 20 0 FCADLP CCc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000961991071 674853349 /nfs/dbraw/zinc/85/33/49/674853349.db2.gz OGKSGGVWBBEAEV-BLYZHGLHSA-N 2 2 367.519 0.804 20 0 FCADLP CCc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000961991071 674853350 /nfs/dbraw/zinc/85/33/50/674853350.db2.gz OGKSGGVWBBEAEV-BLYZHGLHSA-N 2 2 367.519 0.804 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H]([C@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304916 667886240 /nfs/dbraw/zinc/88/62/40/667886240.db2.gz SAURFENQHUFEAH-BPUTZDHNSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H]([C@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304916 667886242 /nfs/dbraw/zinc/88/62/42/667886242.db2.gz SAURFENQHUFEAH-BPUTZDHNSA-N 2 2 350.463 0.502 20 0 FCADLP CCOC1CC(CNC(=S)NC2CC[NH+](C)CC2)([NH+]2CCOCC2)C1 ZINC000766522444 668030912 /nfs/dbraw/zinc/03/09/12/668030912.db2.gz LMJQEUMYKCOAFW-UHFFFAOYSA-N 2 2 370.563 0.815 20 0 FCADLP CN(C(=O)NC[C@@H]1COC(C)(C)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771778365 668273266 /nfs/dbraw/zinc/27/32/66/668273266.db2.gz PBKYSDIEGQWNJB-HZPDHXFCSA-N 2 2 354.495 0.948 20 0 FCADLP CN(C(=O)NC[C@@H]1COC(C)(C)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771778365 668273268 /nfs/dbraw/zinc/27/32/68/668273268.db2.gz PBKYSDIEGQWNJB-HZPDHXFCSA-N 2 2 354.495 0.948 20 0 FCADLP C[C@@H]1CN(C)C(=O)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000782577008 668568849 /nfs/dbraw/zinc/56/88/49/668568849.db2.gz ZBPNLOGRCRFWRQ-CQSZACIVSA-N 2 2 351.495 0.417 20 0 FCADLP Cn1nc(Br)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000785450761 668713662 /nfs/dbraw/zinc/71/36/62/668713662.db2.gz DZSSGAXOYDCKRW-LLVKDONJSA-N 2 2 358.284 0.860 20 0 FCADLP Cn1nc(Br)cc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000785450761 668713666 /nfs/dbraw/zinc/71/36/66/668713666.db2.gz DZSSGAXOYDCKRW-LLVKDONJSA-N 2 2 358.284 0.860 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796552274 669108384 /nfs/dbraw/zinc/10/83/84/669108384.db2.gz UZBZBRBCVQJCEV-IXDOHACOSA-N 2 2 355.479 0.813 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796552274 669108390 /nfs/dbraw/zinc/10/83/90/669108390.db2.gz UZBZBRBCVQJCEV-IXDOHACOSA-N 2 2 355.479 0.813 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000829116524 669684240 /nfs/dbraw/zinc/68/42/40/669684240.db2.gz RXTXQJHMGZLJJM-RHSMWYFYSA-N 2 2 367.515 0.948 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000829116633 669684315 /nfs/dbraw/zinc/68/43/15/669684315.db2.gz TVPFQFYPZUWMCS-INIZCTEOSA-N 2 2 359.536 0.909 20 0 FCADLP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817891535 670047114 /nfs/dbraw/zinc/04/71/14/670047114.db2.gz CLJMEHYYEJFUHS-IRXDYDNUSA-N 2 2 353.488 0.463 20 0 FCADLP [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000843261592 670789860 /nfs/dbraw/zinc/78/98/60/670789860.db2.gz LELCDDPQMHVVDB-CVEARBPZSA-N 2 2 354.495 0.381 20 0 FCADLP [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000843261593 670790099 /nfs/dbraw/zinc/79/00/99/670790099.db2.gz LELCDDPQMHVVDB-HOTGVXAUSA-N 2 2 354.495 0.381 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000843355775 670805295 /nfs/dbraw/zinc/80/52/95/670805295.db2.gz JBSNGRZDAXMUDA-PTXATLKXSA-N 2 2 353.467 0.481 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000845047598 670961005 /nfs/dbraw/zinc/96/10/05/670961005.db2.gz OCSAXUXWPUKKSB-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000845047598 670961007 /nfs/dbraw/zinc/96/10/07/670961007.db2.gz OCSAXUXWPUKKSB-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000846939255 671160982 /nfs/dbraw/zinc/16/09/82/671160982.db2.gz PBHWBLALDFUTCF-UHFFFAOYSA-N 2 2 355.504 0.701 20 0 FCADLP CC(C)[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000849111299 671318305 /nfs/dbraw/zinc/31/83/05/671318305.db2.gz YTMDTQFTDDEEAO-CQSZACIVSA-N 2 2 357.499 0.982 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087841 671486937 /nfs/dbraw/zinc/48/69/37/671486937.db2.gz VHCGHHZOAHJRSN-OAHLLOKOSA-N 2 2 360.524 0.279 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087841 671486939 /nfs/dbraw/zinc/48/69/39/671486939.db2.gz VHCGHHZOAHJRSN-OAHLLOKOSA-N 2 2 360.524 0.279 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000852804670 671525977 /nfs/dbraw/zinc/52/59/77/671525977.db2.gz FDOYLWNZYLSZHX-UHFFFAOYSA-N 2 2 371.528 0.633 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853033370 671535489 /nfs/dbraw/zinc/53/54/89/671535489.db2.gz QVEDAKSYBMBGNE-MRXNPFEDSA-N 2 2 356.536 0.426 20 0 FCADLP C[Si](C)(CC[NH+]1CCn2cnnc2C1)CC[N@@H+]1CCn2cnnc2C1 ZINC000859127365 671795214 /nfs/dbraw/zinc/79/52/14/671795214.db2.gz RIFUNGGERHWPQK-UHFFFAOYSA-N 2 2 360.542 0.909 20 0 FCADLP C[Si](C)(CC[NH+]1CCn2cnnc2C1)CC[N@H+]1CCn2cnnc2C1 ZINC000859127365 671795218 /nfs/dbraw/zinc/79/52/18/671795218.db2.gz RIFUNGGERHWPQK-UHFFFAOYSA-N 2 2 360.542 0.909 20 0 FCADLP C[NH+]1CCN(C[C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740726 675966101 /nfs/dbraw/zinc/96/61/01/675966101.db2.gz KJFKOOVYJJJMHD-ROUUACIJSA-N 2 2 352.523 0.093 20 0 FCADLP [NH3+][C@@H](CC(F)F)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000903909960 675981767 /nfs/dbraw/zinc/98/17/67/675981767.db2.gz YOWDSMUYKRPYKU-ZDUSSCGKSA-N 2 2 356.421 0.418 20 0 FCADLP COC[C@@](C)(O)CNc1cc(N2C[C@@H](OC)C[C@H]2C[NH+](C)C)nc[nH+]1 ZINC000864704032 672206195 /nfs/dbraw/zinc/20/61/95/672206195.db2.gz JSCABCJCWSPIBB-ZQIUZPCESA-N 2 2 353.467 0.441 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000120209081 672209615 /nfs/dbraw/zinc/20/96/15/672209615.db2.gz HJJNZLUWOAMBDG-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000120209081 672209620 /nfs/dbraw/zinc/20/96/20/672209620.db2.gz HJJNZLUWOAMBDG-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865594834 672246100 /nfs/dbraw/zinc/24/61/00/672246100.db2.gz XVEUPFIMBYZFPT-QGZVFWFLSA-N 2 2 350.511 0.963 20 0 FCADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870058117 672463795 /nfs/dbraw/zinc/46/37/95/672463795.db2.gz MOUAXYCKONKQCM-SFHVURJKSA-N 2 2 351.491 0.811 20 0 FCADLP CC(C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055523026 676022131 /nfs/dbraw/zinc/02/21/31/676022131.db2.gz ZQMJKCYOLXVOQQ-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055523026 676022133 /nfs/dbraw/zinc/02/21/33/676022133.db2.gz ZQMJKCYOLXVOQQ-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000875306145 672865308 /nfs/dbraw/zinc/86/53/08/672865308.db2.gz JJLQCPRKFOWFTA-QGZVFWFLSA-N 2 2 355.527 0.424 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000875306145 672865310 /nfs/dbraw/zinc/86/53/10/672865310.db2.gz JJLQCPRKFOWFTA-QGZVFWFLSA-N 2 2 355.527 0.424 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H]1C[N@H+](C)CCO1 ZINC000875401042 672877901 /nfs/dbraw/zinc/87/79/01/672877901.db2.gz ULWDPPCBJVBNLM-HZPDHXFCSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000875401042 672877902 /nfs/dbraw/zinc/87/79/02/672877902.db2.gz ULWDPPCBJVBNLM-HZPDHXFCSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H]1C[N@H+](C)CCO1 ZINC000875401044 672878078 /nfs/dbraw/zinc/87/80/78/672878078.db2.gz ULWDPPCBJVBNLM-JKSUJKDBSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000875401044 672878081 /nfs/dbraw/zinc/87/80/81/672878081.db2.gz ULWDPPCBJVBNLM-JKSUJKDBSA-N 2 2 354.495 0.459 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000875534097 672890570 /nfs/dbraw/zinc/89/05/70/672890570.db2.gz WWMVYXLHDXOWEH-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000875534097 672890576 /nfs/dbraw/zinc/89/05/76/672890576.db2.gz WWMVYXLHDXOWEH-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000875534097 672890579 /nfs/dbraw/zinc/89/05/79/672890579.db2.gz WWMVYXLHDXOWEH-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000875534097 672890580 /nfs/dbraw/zinc/89/05/80/672890580.db2.gz WWMVYXLHDXOWEH-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000875534096 672890807 /nfs/dbraw/zinc/89/08/07/672890807.db2.gz WWMVYXLHDXOWEH-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000875534096 672890810 /nfs/dbraw/zinc/89/08/10/672890810.db2.gz WWMVYXLHDXOWEH-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000875534096 672890812 /nfs/dbraw/zinc/89/08/12/672890812.db2.gz WWMVYXLHDXOWEH-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000875534096 672890816 /nfs/dbraw/zinc/89/08/16/672890816.db2.gz WWMVYXLHDXOWEH-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000875749250 672913083 /nfs/dbraw/zinc/91/30/83/672913083.db2.gz XPEPJRWFISHDFO-IRXDYDNUSA-N 2 2 354.495 0.650 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000875749250 672913085 /nfs/dbraw/zinc/91/30/85/672913085.db2.gz XPEPJRWFISHDFO-IRXDYDNUSA-N 2 2 354.495 0.650 20 0 FCADLP Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)s1 ZINC001001533134 676075734 /nfs/dbraw/zinc/07/57/34/676075734.db2.gz OWFORAFIXWOOEI-IUODEOHRSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)s1 ZINC001001533134 676075736 /nfs/dbraw/zinc/07/57/36/676075736.db2.gz OWFORAFIXWOOEI-IUODEOHRSA-N 2 2 367.519 0.894 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877434374 673014042 /nfs/dbraw/zinc/01/40/42/673014042.db2.gz QMIVASPOALJFPI-HUUCEWRRSA-N 2 2 350.467 0.433 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877434374 673014047 /nfs/dbraw/zinc/01/40/47/673014047.db2.gz QMIVASPOALJFPI-HUUCEWRRSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2COCC[NH+]2CC2CC(C)(C)C2)O1 ZINC001050985214 676098078 /nfs/dbraw/zinc/09/80/78/676098078.db2.gz DHKPFEYTJWENJX-HYVNUMGLSA-N 2 2 353.507 0.959 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2COCC[NH+]2CC2CC(C)(C)C2)O1 ZINC001050985214 676098081 /nfs/dbraw/zinc/09/80/81/676098081.db2.gz DHKPFEYTJWENJX-HYVNUMGLSA-N 2 2 353.507 0.959 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2COCC[N@@H+]2CC2CC(C)(C)C2)O1 ZINC001050985214 676098083 /nfs/dbraw/zinc/09/80/83/676098083.db2.gz DHKPFEYTJWENJX-HYVNUMGLSA-N 2 2 353.507 0.959 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2COCC[N@H+]2CC2CC(C)(C)C2)O1 ZINC001050985214 676098084 /nfs/dbraw/zinc/09/80/84/676098084.db2.gz DHKPFEYTJWENJX-HYVNUMGLSA-N 2 2 353.507 0.959 20 0 FCADLP C[S@](=O)CC[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878255490 673051031 /nfs/dbraw/zinc/05/10/31/673051031.db2.gz QDLQDJIEZXMKMG-DFBJGRDBSA-N 2 2 365.543 0.620 20 0 FCADLP C[S@](=O)CC[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878255490 673051032 /nfs/dbraw/zinc/05/10/32/673051032.db2.gz QDLQDJIEZXMKMG-DFBJGRDBSA-N 2 2 365.543 0.620 20 0 FCADLP C[S@@](=O)CC[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878255491 673051106 /nfs/dbraw/zinc/05/11/06/673051106.db2.gz QDLQDJIEZXMKMG-KBMIEXCESA-N 2 2 365.543 0.620 20 0 FCADLP C[S@@](=O)CC[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878255491 673051119 /nfs/dbraw/zinc/05/11/19/673051119.db2.gz QDLQDJIEZXMKMG-KBMIEXCESA-N 2 2 365.543 0.620 20 0 FCADLP CCN(C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000879247035 673106686 /nfs/dbraw/zinc/10/66/86/673106686.db2.gz LCVCNHSNHFQKIB-INIZCTEOSA-N 2 2 371.547 0.830 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)on1 ZINC001051680941 676108376 /nfs/dbraw/zinc/10/83/76/676108376.db2.gz SVQWQZHNIKGCGV-VNQPRFMTSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)on1 ZINC001051680941 676108378 /nfs/dbraw/zinc/10/83/78/676108378.db2.gz SVQWQZHNIKGCGV-VNQPRFMTSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)co1 ZINC001051680763 676108653 /nfs/dbraw/zinc/10/86/53/676108653.db2.gz RIDNYEZUGDOAHD-DAXOMENPSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)co1 ZINC001051680763 676108656 /nfs/dbraw/zinc/10/86/56/676108656.db2.gz RIDNYEZUGDOAHD-DAXOMENPSA-N 2 2 352.435 0.019 20 0 FCADLP C[N@H+](CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)CCOCCO ZINC000882950935 673361661 /nfs/dbraw/zinc/36/16/61/673361661.db2.gz HIJIZDGRTKCFLA-UHFFFAOYSA-N 2 2 353.467 0.180 20 0 FCADLP C[N@@H+](CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)CCOCCO ZINC000882950935 673361665 /nfs/dbraw/zinc/36/16/65/673361665.db2.gz HIJIZDGRTKCFLA-UHFFFAOYSA-N 2 2 353.467 0.180 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883117863 673366791 /nfs/dbraw/zinc/36/67/91/673366791.db2.gz JRVUVRUNTUNRSI-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883484505 673379256 /nfs/dbraw/zinc/37/92/56/673379256.db2.gz UCICUTFJVNYDQN-JKSUJKDBSA-N 2 2 350.444 0.532 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774225 673480860 /nfs/dbraw/zinc/48/08/60/673480860.db2.gz HOMLXDOCRODQFK-JONQDZQNSA-N 2 2 354.495 0.330 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774225 673480861 /nfs/dbraw/zinc/48/08/61/673480861.db2.gz HOMLXDOCRODQFK-JONQDZQNSA-N 2 2 354.495 0.330 20 0 FCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(Br)CC1 ZINC000925447642 673792510 /nfs/dbraw/zinc/79/25/10/673792510.db2.gz ZYWVMRAJYQFNAY-OLZOCXBDSA-N 2 2 360.296 0.825 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000925611914 673797006 /nfs/dbraw/zinc/79/70/06/673797006.db2.gz NYDKOIKDQWPLFM-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CCOCCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927534692 673866474 /nfs/dbraw/zinc/86/64/74/673866474.db2.gz IQROLUBUIXGSKS-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CCOCCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927534692 673866478 /nfs/dbraw/zinc/86/64/78/673866478.db2.gz IQROLUBUIXGSKS-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927634914 673872308 /nfs/dbraw/zinc/87/23/08/673872308.db2.gz ASMHDYQVTVDUPA-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927634914 673872311 /nfs/dbraw/zinc/87/23/11/673872311.db2.gz ASMHDYQVTVDUPA-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC000968738356 675228076 /nfs/dbraw/zinc/22/80/76/675228076.db2.gz UKQGDMDVTJBKDL-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC000968738356 675228077 /nfs/dbraw/zinc/22/80/77/675228077.db2.gz UKQGDMDVTJBKDL-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000969071723 675268308 /nfs/dbraw/zinc/26/83/08/675268308.db2.gz BWYYABODARVJRG-LALPHHSUSA-N 2 2 355.870 0.483 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000969071723 675268312 /nfs/dbraw/zinc/26/83/12/675268312.db2.gz BWYYABODARVJRG-LALPHHSUSA-N 2 2 355.870 0.483 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000969071971 675268548 /nfs/dbraw/zinc/26/85/48/675268548.db2.gz PTCREXUWUMYYQO-IIAWOOMASA-N 2 2 350.467 0.269 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000969071971 675268553 /nfs/dbraw/zinc/26/85/53/675268553.db2.gz PTCREXUWUMYYQO-IIAWOOMASA-N 2 2 350.467 0.269 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001007375581 675288660 /nfs/dbraw/zinc/28/86/60/675288660.db2.gz FDCCPIDLZIFVDG-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001007375581 675288662 /nfs/dbraw/zinc/28/86/62/675288662.db2.gz FDCCPIDLZIFVDG-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001007375581 675288664 /nfs/dbraw/zinc/28/86/64/675288664.db2.gz FDCCPIDLZIFVDG-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001007375581 675288667 /nfs/dbraw/zinc/28/86/67/675288667.db2.gz FDCCPIDLZIFVDG-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922722 675393194 /nfs/dbraw/zinc/39/31/94/675393194.db2.gz DSPGNRZULPBMPH-XNRPHZJLSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922722 675393197 /nfs/dbraw/zinc/39/31/97/675393197.db2.gz DSPGNRZULPBMPH-XNRPHZJLSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922722 675393201 /nfs/dbraw/zinc/39/32/01/675393201.db2.gz DSPGNRZULPBMPH-XNRPHZJLSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922722 675393205 /nfs/dbraw/zinc/39/32/05/675393205.db2.gz DSPGNRZULPBMPH-XNRPHZJLSA-N 2 2 352.504 0.904 20 0 FCADLP COCCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001018866326 675418009 /nfs/dbraw/zinc/41/80/09/675418009.db2.gz ZGKUXDKJTZMFOH-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP COCCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001018866326 675418011 /nfs/dbraw/zinc/41/80/11/675418011.db2.gz ZGKUXDKJTZMFOH-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001018994345 675419291 /nfs/dbraw/zinc/41/92/91/675419291.db2.gz TYAJIYKXADLTEM-RRFJBIMHSA-N 2 2 366.487 0.529 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001018994345 675419296 /nfs/dbraw/zinc/41/92/96/675419296.db2.gz TYAJIYKXADLTEM-RRFJBIMHSA-N 2 2 366.487 0.529 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001039607038 675449592 /nfs/dbraw/zinc/44/95/92/675449592.db2.gz CSPYVLKQRNYTOG-ZOFXXKQRSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001039607038 675449594 /nfs/dbraw/zinc/44/95/94/675449594.db2.gz CSPYVLKQRNYTOG-ZOFXXKQRSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)CC[NH+]1C ZINC001039607038 675449596 /nfs/dbraw/zinc/44/95/96/675449596.db2.gz CSPYVLKQRNYTOG-ZOFXXKQRSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)CC[NH+]1C ZINC001039607038 675449597 /nfs/dbraw/zinc/44/95/97/675449597.db2.gz CSPYVLKQRNYTOG-ZOFXXKQRSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001039607037 675449721 /nfs/dbraw/zinc/44/97/21/675449721.db2.gz CSPYVLKQRNYTOG-UHDSXZAQSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H](C)C(=O)NC)CC[N@H+]1C ZINC001039607037 675449723 /nfs/dbraw/zinc/44/97/23/675449723.db2.gz CSPYVLKQRNYTOG-UHDSXZAQSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)CC[NH+]1C ZINC001039607037 675449727 /nfs/dbraw/zinc/44/97/27/675449727.db2.gz CSPYVLKQRNYTOG-UHDSXZAQSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)CC[NH+]1C ZINC001039607037 675449730 /nfs/dbraw/zinc/44/97/30/675449730.db2.gz CSPYVLKQRNYTOG-UHDSXZAQSA-N 2 2 350.507 0.917 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000900603518 675699146 /nfs/dbraw/zinc/69/91/46/675699146.db2.gz WWOKNRTVLZOKMV-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000900603518 675699147 /nfs/dbraw/zinc/69/91/47/675699147.db2.gz WWOKNRTVLZOKMV-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000900647716 675703606 /nfs/dbraw/zinc/70/36/06/675703606.db2.gz RIHVDQHADGRTFG-UHFFFAOYSA-N 2 2 353.555 0.498 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000900647716 675703610 /nfs/dbraw/zinc/70/36/10/675703610.db2.gz RIHVDQHADGRTFG-UHFFFAOYSA-N 2 2 353.555 0.498 20 0 FCADLP CN(C(=O)CNC(=O)N1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668385 675705988 /nfs/dbraw/zinc/70/59/88/675705988.db2.gz ATUHVVYZBJJTFO-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CN(C(=O)CNC(=O)N1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668385 675705991 /nfs/dbraw/zinc/70/59/91/675705991.db2.gz ATUHVVYZBJJTFO-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900693493 675708101 /nfs/dbraw/zinc/70/81/01/675708101.db2.gz UNERQIBZWHCWTI-UHFFFAOYSA-N 3 2 350.511 0.543 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900693493 675708104 /nfs/dbraw/zinc/70/81/04/675708104.db2.gz UNERQIBZWHCWTI-UHFFFAOYSA-N 3 2 350.511 0.543 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)C[C@H]1C ZINC000901319278 675781531 /nfs/dbraw/zinc/78/15/31/675781531.db2.gz WZSVJNDUIYJCMV-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)C[C@H]1C ZINC000901319278 675781533 /nfs/dbraw/zinc/78/15/33/675781533.db2.gz WZSVJNDUIYJCMV-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3conc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001047386468 675796616 /nfs/dbraw/zinc/79/66/16/675796616.db2.gz UZYWGHKKBJPWTP-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3conc3C)C[C@@H]2O)CC[N@H+]1C ZINC001047386468 675796619 /nfs/dbraw/zinc/79/66/19/675796619.db2.gz UZYWGHKKBJPWTP-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)CC[NH+]1C ZINC001047386468 675796622 /nfs/dbraw/zinc/79/66/22/675796622.db2.gz UZYWGHKKBJPWTP-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)CC[NH+]1C ZINC001047386468 675796624 /nfs/dbraw/zinc/79/66/24/675796624.db2.gz UZYWGHKKBJPWTP-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2O)c(C)[nH+]1 ZINC000969601928 1168024060 /nfs/dbraw/zinc/02/40/60/1168024060.db2.gz WKHDSHTVNCBWJF-XHSDSOJGSA-N 2 2 360.458 0.260 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2O)c(C)[nH+]1 ZINC000969601928 1168024063 /nfs/dbraw/zinc/02/40/63/1168024063.db2.gz WKHDSHTVNCBWJF-XHSDSOJGSA-N 2 2 360.458 0.260 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083191987 1168109783 /nfs/dbraw/zinc/10/97/83/1168109783.db2.gz CWEBTUOCRVJLFN-DLBZAZTESA-N 2 2 361.490 0.564 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083191987 1168109786 /nfs/dbraw/zinc/10/97/86/1168109786.db2.gz CWEBTUOCRVJLFN-DLBZAZTESA-N 2 2 361.490 0.564 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCN2CCCC2=O)C1 ZINC000970439338 1168868192 /nfs/dbraw/zinc/86/81/92/1168868192.db2.gz GMOIXQGCLYROJC-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CC([C@@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000970447745 1168882023 /nfs/dbraw/zinc/88/20/23/1168882023.db2.gz SRFGMDJVKLIDFR-CSMYWGQOSA-N 2 2 371.489 0.869 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104345595 1170126840 /nfs/dbraw/zinc/12/68/40/1170126840.db2.gz JWCSSLOQYOJOMW-HUUCEWRRSA-N 2 2 362.474 0.795 20 0 FCADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345654 1170126936 /nfs/dbraw/zinc/12/69/36/1170126936.db2.gz MXARMZNTYGYRKW-QLFBSQMISA-N 2 2 362.474 0.841 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ncccn1 ZINC001104346454 1170131361 /nfs/dbraw/zinc/13/13/61/1170131361.db2.gz BLCXPVLAMNNYGQ-QBPKDAKJSA-N 2 2 361.490 0.770 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ncccn1 ZINC001104346454 1170131363 /nfs/dbraw/zinc/13/13/63/1170131363.db2.gz BLCXPVLAMNNYGQ-QBPKDAKJSA-N 2 2 361.490 0.770 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1)C1CC1 ZINC001021937375 1170323587 /nfs/dbraw/zinc/32/35/87/1170323587.db2.gz IGVPTCMPMGRVCZ-YXJHDRRASA-N 2 2 359.474 0.742 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1)C1CC1 ZINC001021937375 1170323596 /nfs/dbraw/zinc/32/35/96/1170323596.db2.gz IGVPTCMPMGRVCZ-YXJHDRRASA-N 2 2 359.474 0.742 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001021996476 1170369643 /nfs/dbraw/zinc/36/96/43/1170369643.db2.gz GZGIXQHMKQOLME-GVDBMIGSSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087158239 1170407723 /nfs/dbraw/zinc/40/77/23/1170407723.db2.gz SOOYHUSOSIKKJI-RDBSUJKOSA-N 2 2 361.446 0.364 20 0 FCADLP CCc1cc(NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001111585774 1170411870 /nfs/dbraw/zinc/41/18/70/1170411870.db2.gz MBTPFTUTTXAFEI-CZUORRHYSA-N 2 2 365.478 0.299 20 0 FCADLP CCc1cc(NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001111585774 1170411874 /nfs/dbraw/zinc/41/18/74/1170411874.db2.gz MBTPFTUTTXAFEI-CZUORRHYSA-N 2 2 365.478 0.299 20 0 FCADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1)C(N)=O ZINC001022095308 1170619501 /nfs/dbraw/zinc/61/95/01/1170619501.db2.gz OIBXGKLQECJLIM-IBEHDNSVSA-N 2 2 359.474 0.655 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncn2C)C1 ZINC001022095532 1170620638 /nfs/dbraw/zinc/62/06/38/1170620638.db2.gz SUVCWQKTPVYFEZ-LVQVYYBASA-N 2 2 369.473 0.719 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001022195567 1170721705 /nfs/dbraw/zinc/72/17/05/1170721705.db2.gz KVULYVBKNOBZFM-FCEWJHQRSA-N 2 2 371.485 0.886 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001022195960 1170722395 /nfs/dbraw/zinc/72/23/95/1170722395.db2.gz OIZDQJJOGUBEDU-KVSKMBFKSA-N 2 2 371.485 0.886 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)CC[N@@H+]1C ZINC001022253074 1170808403 /nfs/dbraw/zinc/80/84/03/1170808403.db2.gz MIQGTKYFOXTQLF-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)CC[N@H+]1C ZINC001022253074 1170808404 /nfs/dbraw/zinc/80/84/04/1170808404.db2.gz MIQGTKYFOXTQLF-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP CCn1nnc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781879 1170823245 /nfs/dbraw/zinc/82/32/45/1170823245.db2.gz NEJYQONFBRRJNQ-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781879 1170823248 /nfs/dbraw/zinc/82/32/48/1170823248.db2.gz NEJYQONFBRRJNQ-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781879 1170823250 /nfs/dbraw/zinc/82/32/50/1170823250.db2.gz NEJYQONFBRRJNQ-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781879 1170823253 /nfs/dbraw/zinc/82/32/53/1170823253.db2.gz NEJYQONFBRRJNQ-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276331 1170824049 /nfs/dbraw/zinc/82/40/49/1170824049.db2.gz GZKQGORLBKQBQG-XGFWRYKXSA-N 2 2 367.450 0.233 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276331 1170824050 /nfs/dbraw/zinc/82/40/50/1170824050.db2.gz GZKQGORLBKQBQG-XGFWRYKXSA-N 2 2 367.450 0.233 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000891698819 1170825447 /nfs/dbraw/zinc/82/54/47/1170825447.db2.gz KXZUAKWPHCQIJN-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000891698819 1170825448 /nfs/dbraw/zinc/82/54/48/1170825448.db2.gz KXZUAKWPHCQIJN-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@H+](C)CC2)C[C@H](C)O1 ZINC000891698819 1170825453 /nfs/dbraw/zinc/82/54/53/1170825453.db2.gz KXZUAKWPHCQIJN-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000891698819 1170825455 /nfs/dbraw/zinc/82/54/55/1170825455.db2.gz KXZUAKWPHCQIJN-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001022314848 1170849635 /nfs/dbraw/zinc/84/96/35/1170849635.db2.gz OJTJWZQVOKJXJQ-JLJPHGGASA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC001022314848 1170849638 /nfs/dbraw/zinc/84/96/38/1170849638.db2.gz OJTJWZQVOKJXJQ-JLJPHGGASA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001022315117 1170850049 /nfs/dbraw/zinc/85/00/49/1170850049.db2.gz USJPDWPMKMDZAL-WMLDXEAASA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001022315117 1170850050 /nfs/dbraw/zinc/85/00/50/1170850050.db2.gz USJPDWPMKMDZAL-WMLDXEAASA-N 2 2 359.474 0.804 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087177005 1170897254 /nfs/dbraw/zinc/89/72/54/1170897254.db2.gz ATTRDXZVSHYDFH-OAGGEKHMSA-N 2 2 363.510 0.801 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087177005 1170897259 /nfs/dbraw/zinc/89/72/59/1170897259.db2.gz ATTRDXZVSHYDFH-OAGGEKHMSA-N 2 2 363.510 0.801 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001691286459 1171039415 /nfs/dbraw/zinc/03/94/15/1171039415.db2.gz WNLTZICVDUJGHI-BHYGNILZSA-N 2 2 360.462 0.362 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC001022522347 1171361037 /nfs/dbraw/zinc/36/10/37/1171361037.db2.gz AZPWFHURQVCOBP-FCEWJHQRSA-N 2 2 371.485 0.886 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087201284 1171693611 /nfs/dbraw/zinc/69/36/11/1171693611.db2.gz JNCQDICBBLNZMB-ILXRZTDVSA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087201284 1171693624 /nfs/dbraw/zinc/69/36/24/1171693624.db2.gz JNCQDICBBLNZMB-ILXRZTDVSA-N 2 2 364.494 0.309 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000892184695 1171699601 /nfs/dbraw/zinc/69/96/01/1171699601.db2.gz VXRVANNXIAQIMJ-QZTJIDSGSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000892184695 1171699608 /nfs/dbraw/zinc/69/96/08/1171699608.db2.gz VXRVANNXIAQIMJ-QZTJIDSGSA-N 2 2 362.474 0.483 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022725282 1171820060 /nfs/dbraw/zinc/82/00/60/1171820060.db2.gz NBDCENXTHRQIQR-LSDHHAIUSA-N 2 2 359.474 0.743 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022725282 1171820063 /nfs/dbraw/zinc/82/00/63/1171820063.db2.gz NBDCENXTHRQIQR-LSDHHAIUSA-N 2 2 359.474 0.743 20 0 FCADLP COc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001022735893 1171838879 /nfs/dbraw/zinc/83/88/79/1171838879.db2.gz IUJIPMYEXVMPOP-AYRXBEOTSA-N 2 2 356.430 0.759 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC000972236849 1171874870 /nfs/dbraw/zinc/87/48/70/1171874870.db2.gz JCDBRZDBJDOAIS-BFYDXBDKSA-N 2 2 367.453 0.959 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC000972236849 1171874873 /nfs/dbraw/zinc/87/48/73/1171874873.db2.gz JCDBRZDBJDOAIS-BFYDXBDKSA-N 2 2 367.453 0.959 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)ncn1 ZINC001083248078 1172002705 /nfs/dbraw/zinc/00/27/05/1172002705.db2.gz QPNXBVMJPNWJIU-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@H]3C2)ncn1 ZINC001083248078 1172002715 /nfs/dbraw/zinc/00/27/15/1172002715.db2.gz QPNXBVMJPNWJIU-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@H]3C2)ncn1 ZINC001083248078 1172002722 /nfs/dbraw/zinc/00/27/22/1172002722.db2.gz QPNXBVMJPNWJIU-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@H]3C2)ncn1 ZINC001083248078 1172002731 /nfs/dbraw/zinc/00/27/31/1172002731.db2.gz QPNXBVMJPNWJIU-RYQLBKOJSA-N 2 2 359.474 0.538 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC001022843498 1172050489 /nfs/dbraw/zinc/05/04/89/1172050489.db2.gz NDCJUHFOXNVFHG-WDYCEAGBSA-N 2 2 371.485 0.886 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@H]3O)ccn12 ZINC001083461110 1192500276 /nfs/dbraw/zinc/50/02/76/1192500276.db2.gz NKHHVBYUSYDSDU-OIISXLGYSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@@H]3O)ccn12 ZINC001083461110 1192500282 /nfs/dbraw/zinc/50/02/82/1192500282.db2.gz NKHHVBYUSYDSDU-OIISXLGYSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@@H]3O)ccn12 ZINC001083461012 1192501047 /nfs/dbraw/zinc/50/10/47/1192501047.db2.gz JAENKZNEYXDOTR-ZACQAIPSSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@@H]3O)ccn12 ZINC001083461012 1192501051 /nfs/dbraw/zinc/50/10/51/1192501051.db2.gz JAENKZNEYXDOTR-ZACQAIPSSA-N 2 2 358.442 0.987 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988811805 1192519098 /nfs/dbraw/zinc/51/90/98/1192519098.db2.gz RJLVZKVHGQXTJM-HIFRSBDPSA-N 2 2 363.462 0.551 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989021511 1192628866 /nfs/dbraw/zinc/62/88/66/1192628866.db2.gz VKYJNJPKIWUOOG-SKDZVZGDSA-N 2 2 359.474 0.932 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000989023370 1192630085 /nfs/dbraw/zinc/63/00/85/1192630085.db2.gz CSYNGFAKBOOURG-CABCVRRESA-N 2 2 359.474 0.995 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CCc1c[nH+]cn1C ZINC000989063927 1192668170 /nfs/dbraw/zinc/66/81/70/1192668170.db2.gz GDIGEWUQULKHQO-ZBFHGGJFSA-N 2 2 359.474 0.554 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000989066648 1192670387 /nfs/dbraw/zinc/67/03/87/1192670387.db2.gz KZMNNORDVCVTHK-HIFRSBDPSA-N 2 2 356.430 0.764 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088621082 1192682314 /nfs/dbraw/zinc/68/23/14/1192682314.db2.gz PEOLPSWKYMSQHC-VNQPRFMTSA-N 2 2 359.474 0.960 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088621082 1192682323 /nfs/dbraw/zinc/68/23/23/1192682323.db2.gz PEOLPSWKYMSQHC-VNQPRFMTSA-N 2 2 359.474 0.960 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272166557 1192683517 /nfs/dbraw/zinc/68/35/17/1192683517.db2.gz JGAUWRKSMDHTTO-PVAVHDDUSA-N 2 2 357.458 0.496 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088635704 1192742001 /nfs/dbraw/zinc/74/20/01/1192742001.db2.gz KRPFEMGRKMECQY-MIGQKNRLSA-N 2 2 355.442 0.991 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)[C@@H]2C)c[nH+]1 ZINC001088657069 1192805240 /nfs/dbraw/zinc/80/52/40/1192805240.db2.gz QNIYRQNIZVKETD-CABCVRRESA-N 2 2 362.478 0.531 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@@H]2C)c[nH+]1 ZINC001088657069 1192805242 /nfs/dbraw/zinc/80/52/42/1192805242.db2.gz QNIYRQNIZVKETD-CABCVRRESA-N 2 2 362.478 0.531 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCN1CCNC1=O ZINC001088663522 1192809558 /nfs/dbraw/zinc/80/95/58/1192809558.db2.gz GZNXVCQCVPCPFY-OCCSQVGLSA-N 2 2 356.430 0.781 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCN1CCNC1=O ZINC001088663522 1192809561 /nfs/dbraw/zinc/80/95/61/1192809561.db2.gz GZNXVCQCVPCPFY-OCCSQVGLSA-N 2 2 356.430 0.781 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C)n1 ZINC001088679397 1192818630 /nfs/dbraw/zinc/81/86/30/1192818630.db2.gz OKGSVBFWGXJWHC-COXVUDFISA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C)n1 ZINC001088679397 1192818632 /nfs/dbraw/zinc/81/86/32/1192818632.db2.gz OKGSVBFWGXJWHC-COXVUDFISA-N 2 2 371.489 0.933 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842052868 1192863814 /nfs/dbraw/zinc/86/38/14/1192863814.db2.gz WUIVUXFISNIGJW-MDZRGWNJSA-N 2 2 364.490 0.101 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C(C)(C)C)CC[C@@H]2C1 ZINC001691570861 1192887317 /nfs/dbraw/zinc/88/73/17/1192887317.db2.gz WVCFBIBHBKDOKY-CABCVRRESA-N 2 2 363.510 0.660 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C(C)(C)C)CC[C@@H]2C1 ZINC001691570861 1192887318 /nfs/dbraw/zinc/88/73/18/1192887318.db2.gz WVCFBIBHBKDOKY-CABCVRRESA-N 2 2 363.510 0.660 20 0 FCADLP CN1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+](C)CC1 ZINC000888990770 1179203557 /nfs/dbraw/zinc/20/35/57/1179203557.db2.gz CRXPGJWQNDMJKO-UHFFFAOYSA-N 2 2 373.545 0.753 20 0 FCADLP CN1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+](C)CC1 ZINC000888990770 1179203567 /nfs/dbraw/zinc/20/35/67/1179203567.db2.gz CRXPGJWQNDMJKO-UHFFFAOYSA-N 2 2 373.545 0.753 20 0 FCADLP CCn1ncc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023452442 1179755105 /nfs/dbraw/zinc/75/51/05/1179755105.db2.gz ZTPAAMNCBAXWEU-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023452442 1179755116 /nfs/dbraw/zinc/75/51/16/1179755116.db2.gz ZTPAAMNCBAXWEU-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023452442 1179755125 /nfs/dbraw/zinc/75/51/25/1179755125.db2.gz ZTPAAMNCBAXWEU-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023452442 1179755148 /nfs/dbraw/zinc/75/51/48/1179755148.db2.gz ZTPAAMNCBAXWEU-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NCCCOC ZINC001691465748 1180090506 /nfs/dbraw/zinc/09/05/06/1180090506.db2.gz GFGOTWSLTUOUKI-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NCCCOC ZINC001691465748 1180090512 /nfs/dbraw/zinc/09/05/12/1180090512.db2.gz GFGOTWSLTUOUKI-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001691465748 1180090518 /nfs/dbraw/zinc/09/05/18/1180090518.db2.gz GFGOTWSLTUOUKI-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001691465748 1180090523 /nfs/dbraw/zinc/09/05/23/1180090523.db2.gz GFGOTWSLTUOUKI-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC000972641300 1180105990 /nfs/dbraw/zinc/10/59/90/1180105990.db2.gz ZDTKMTAFLCKQEA-GDBMZVCRSA-N 2 2 359.474 0.804 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972644005 1180163464 /nfs/dbraw/zinc/16/34/64/1180163464.db2.gz KHLPRQWHBAHRTA-QGPMSJSTSA-N 2 2 359.474 0.362 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972846579 1180890754 /nfs/dbraw/zinc/89/07/54/1180890754.db2.gz QITOTPYRTPSSNW-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972846579 1180890759 /nfs/dbraw/zinc/89/07/59/1180890759.db2.gz QITOTPYRTPSSNW-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ncnc4c3C[NH+](C)CC4)C2)CC[N@@H+]1C ZINC001058579966 1181210677 /nfs/dbraw/zinc/21/06/77/1181210677.db2.gz BKPADHZUBRFDHD-QLFBSQMISA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ncnc4c3C[NH+](C)CC4)C2)CC[N@H+]1C ZINC001058579966 1181210681 /nfs/dbraw/zinc/21/06/81/1181210681.db2.gz BKPADHZUBRFDHD-QLFBSQMISA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ncnc4c3C[N@H+](C)CC4)C2)CC[NH+]1C ZINC001058579966 1181210683 /nfs/dbraw/zinc/21/06/83/1181210683.db2.gz BKPADHZUBRFDHD-QLFBSQMISA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ncnc4c3C[N@@H+](C)CC4)C2)CC[NH+]1C ZINC001058579966 1181210685 /nfs/dbraw/zinc/21/06/85/1181210685.db2.gz BKPADHZUBRFDHD-QLFBSQMISA-N 2 2 358.490 0.500 20 0 FCADLP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572819 1181347278 /nfs/dbraw/zinc/34/72/78/1181347278.db2.gz VOLMOUPSWJVTEA-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP COCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572819 1181347288 /nfs/dbraw/zinc/34/72/88/1181347288.db2.gz VOLMOUPSWJVTEA-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)CCC1 ZINC001024623897 1181409734 /nfs/dbraw/zinc/40/97/34/1181409734.db2.gz TYMSTSQSABXKIZ-UKRRQHHQSA-N 2 2 371.441 0.120 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000936110569 1181863422 /nfs/dbraw/zinc/86/34/22/1181863422.db2.gz UZPUWKTYQIJMEL-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP Cc1cnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001267572677 1181874997 /nfs/dbraw/zinc/87/49/97/1181874997.db2.gz SVVAKKADNPKLTL-IAGOWNOFSA-N 2 2 363.506 0.899 20 0 FCADLP Cc1cnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001267572677 1181875002 /nfs/dbraw/zinc/87/50/02/1181875002.db2.gz SVVAKKADNPKLTL-IAGOWNOFSA-N 2 2 363.506 0.899 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2O)c(C)[nH+]1 ZINC001025044430 1181883116 /nfs/dbraw/zinc/88/31/16/1181883116.db2.gz WKHDSHTVNCBWJF-ARFHVFGLSA-N 2 2 360.458 0.260 20 0 FCADLP 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CC(C)N1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981440202 1186419816 /nfs/dbraw/zinc/41/98/16/1186419816.db2.gz RTISCQNUYVIPGU-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)N1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981440202 1186419819 /nfs/dbraw/zinc/41/98/19/1186419819.db2.gz RTISCQNUYVIPGU-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)N1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000981440202 1186419825 /nfs/dbraw/zinc/41/98/25/1186419825.db2.gz RTISCQNUYVIPGU-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000981478088 1186425432 /nfs/dbraw/zinc/42/54/32/1186425432.db2.gz YRVIRPJLCVAIFP-XHSDSOJGSA-N 2 2 363.462 0.005 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000981478088 1186425435 /nfs/dbraw/zinc/42/54/35/1186425435.db2.gz YRVIRPJLCVAIFP-XHSDSOJGSA-N 2 2 363.462 0.005 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CCC1)C2 ZINC000982021942 1186629267 /nfs/dbraw/zinc/62/92/67/1186629267.db2.gz NLYUFVOXRLXCAD-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CCC1)C2 ZINC000982021942 1186629270 /nfs/dbraw/zinc/62/92/70/1186629270.db2.gz NLYUFVOXRLXCAD-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1)C(=O)N(C)C ZINC001211733658 1187534998 /nfs/dbraw/zinc/53/49/98/1187534998.db2.gz BQILSAHYTHSUAG-RYQLBKOJSA-N 2 2 369.469 0.944 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644974 1187582393 /nfs/dbraw/zinc/58/23/93/1187582393.db2.gz JZHGCQGDJHWBSF-BMGDILEWSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644974 1187582400 /nfs/dbraw/zinc/58/24/00/1187582400.db2.gz JZHGCQGDJHWBSF-BMGDILEWSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644974 1187582405 /nfs/dbraw/zinc/58/24/05/1187582405.db2.gz JZHGCQGDJHWBSF-BMGDILEWSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644974 1187582408 /nfs/dbraw/zinc/58/24/08/1187582408.db2.gz JZHGCQGDJHWBSF-BMGDILEWSA-N 2 2 362.474 0.909 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571199 1187584188 /nfs/dbraw/zinc/58/41/88/1187584188.db2.gz ISIROSZBKHBKFX-RVJFBUOYSA-N 2 2 359.474 0.568 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571199 1187584191 /nfs/dbraw/zinc/58/41/91/1187584191.db2.gz ISIROSZBKHBKFX-RVJFBUOYSA-N 2 2 359.474 0.568 20 0 FCADLP CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385221 1187713355 /nfs/dbraw/zinc/71/33/55/1187713355.db2.gz HKGCDHMWKMBHKD-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385221 1187713357 /nfs/dbraw/zinc/71/33/57/1187713357.db2.gz HKGCDHMWKMBHKD-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385221 1187713360 /nfs/dbraw/zinc/71/33/60/1187713360.db2.gz HKGCDHMWKMBHKD-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385221 1187713362 /nfs/dbraw/zinc/71/33/62/1187713362.db2.gz HKGCDHMWKMBHKD-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP CC(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385605 1187713973 /nfs/dbraw/zinc/71/39/73/1187713973.db2.gz SWVGWJBSNFVBIX-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385605 1187713976 /nfs/dbraw/zinc/71/39/76/1187713976.db2.gz SWVGWJBSNFVBIX-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385605 1187713978 /nfs/dbraw/zinc/71/39/78/1187713978.db2.gz SWVGWJBSNFVBIX-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385605 1187713980 /nfs/dbraw/zinc/71/39/80/1187713980.db2.gz SWVGWJBSNFVBIX-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP CCCn1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628895 1187756808 /nfs/dbraw/zinc/75/68/08/1187756808.db2.gz BESBIIYYIDKSTJ-OWCLPIDISA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628895 1187756814 /nfs/dbraw/zinc/75/68/14/1187756814.db2.gz BESBIIYYIDKSTJ-OWCLPIDISA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628895 1187756820 /nfs/dbraw/zinc/75/68/20/1187756820.db2.gz BESBIIYYIDKSTJ-OWCLPIDISA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628895 1187756825 /nfs/dbraw/zinc/75/68/25/1187756825.db2.gz BESBIIYYIDKSTJ-OWCLPIDISA-N 2 2 364.494 0.345 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812345 1187910345 /nfs/dbraw/zinc/91/03/45/1187910345.db2.gz ZOTPVUXMZDSXAF-FVQBIDKESA-N 2 2 370.457 0.961 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812345 1187910349 /nfs/dbraw/zinc/91/03/49/1187910349.db2.gz ZOTPVUXMZDSXAF-FVQBIDKESA-N 2 2 370.457 0.961 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028812277 1187910383 /nfs/dbraw/zinc/91/03/83/1187910383.db2.gz YFRUDGBXCSTURY-DJIMGWMZSA-N 2 2 356.474 0.938 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001028812277 1187910386 /nfs/dbraw/zinc/91/03/86/1187910386.db2.gz YFRUDGBXCSTURY-DJIMGWMZSA-N 2 2 356.474 0.938 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001075741230 1188054312 /nfs/dbraw/zinc/05/43/12/1188054312.db2.gz VSHOXXGQPYKABY-JKSUJKDBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001075741230 1188054318 /nfs/dbraw/zinc/05/43/18/1188054318.db2.gz VSHOXXGQPYKABY-JKSUJKDBSA-N 2 2 359.474 0.888 20 0 FCADLP C[C@H](C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1)n1cc[nH+]c1 ZINC001270292491 1188082951 /nfs/dbraw/zinc/08/29/51/1188082951.db2.gz QSIRMPACTAHPFP-QAPCUYQASA-N 2 2 363.462 0.083 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@]2(F)C(=O)N(CCn3cc[nH+]c3)C[C@@]2(F)C1 ZINC001270359493 1188117721 /nfs/dbraw/zinc/11/77/21/1188117721.db2.gz WXNCAOXNSQGNJK-IAGOWNOFSA-N 2 2 369.416 0.326 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270491779 1188172469 /nfs/dbraw/zinc/17/24/69/1188172469.db2.gz XYRNKCMTFSMPFT-HNNXBMFYSA-N 2 2 359.474 0.713 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270491779 1188172472 /nfs/dbraw/zinc/17/24/72/1188172472.db2.gz XYRNKCMTFSMPFT-HNNXBMFYSA-N 2 2 359.474 0.713 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550033387 1188213117 /nfs/dbraw/zinc/21/31/17/1188213117.db2.gz CHQZONBPKPCLHW-QGZVFWFLSA-N 2 2 368.522 0.450 20 0 FCADLP CCOC1CC(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000894465848 1188221220 /nfs/dbraw/zinc/22/12/20/1188221220.db2.gz RLRJJBBOADXPIM-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000894465848 1188221223 /nfs/dbraw/zinc/22/12/23/1188221223.db2.gz RLRJJBBOADXPIM-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP CN(CC(=O)NC12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2)C(N)=[NH2+] ZINC001270686106 1188262338 /nfs/dbraw/zinc/26/23/38/1188262338.db2.gz BRXAXXZCWNULKM-UHFFFAOYSA-N 2 2 355.402 0.137 20 0 FCADLP Cc1nnc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029112194 1188294317 /nfs/dbraw/zinc/29/43/17/1188294317.db2.gz XITOQSZUYGWKIW-XJKCOSOUSA-N 2 2 365.478 0.814 20 0 FCADLP Cc1nnc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029112194 1188294322 /nfs/dbraw/zinc/29/43/22/1188294322.db2.gz XITOQSZUYGWKIW-XJKCOSOUSA-N 2 2 365.478 0.814 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2)C(=O)NC1CC1 ZINC001112535848 1188322961 /nfs/dbraw/zinc/32/29/61/1188322961.db2.gz DHSIIPZBAZUZOO-NJSLBKSFSA-N 2 2 359.474 0.838 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001691516110 1188401059 /nfs/dbraw/zinc/40/10/59/1188401059.db2.gz URHHBSIDRYWPQM-IXDOHACOSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001691516110 1188401063 /nfs/dbraw/zinc/40/10/63/1188401063.db2.gz URHHBSIDRYWPQM-IXDOHACOSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1nc(C)nc1C ZINC001087529638 1189383179 /nfs/dbraw/zinc/38/31/79/1189383179.db2.gz OCAGEGAETNKVCI-GVDBMIGSSA-N 2 2 364.494 0.195 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1nc(C)nc1C ZINC001087529638 1189383182 /nfs/dbraw/zinc/38/31/82/1189383182.db2.gz OCAGEGAETNKVCI-GVDBMIGSSA-N 2 2 364.494 0.195 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1nc(C)nc1C ZINC001087529638 1189383193 /nfs/dbraw/zinc/38/31/93/1189383193.db2.gz OCAGEGAETNKVCI-GVDBMIGSSA-N 2 2 364.494 0.195 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCc2ccnn2C)O1 ZINC001029357026 1189433361 /nfs/dbraw/zinc/43/33/61/1189433361.db2.gz AEHODSZYFDNYNY-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCc2ccnn2C)O1 ZINC001029357026 1189433364 /nfs/dbraw/zinc/43/33/64/1189433364.db2.gz AEHODSZYFDNYNY-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccnn2C)O1 ZINC001029357026 1189433374 /nfs/dbraw/zinc/43/33/74/1189433374.db2.gz AEHODSZYFDNYNY-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccnn2C)O1 ZINC001029357026 1189433381 /nfs/dbraw/zinc/43/33/81/1189433381.db2.gz AEHODSZYFDNYNY-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cnnn1CC ZINC001087622340 1189672818 /nfs/dbraw/zinc/67/28/18/1189672818.db2.gz GVQBPMXHZNPHTA-XLNGHYISSA-N 2 2 364.494 0.486 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cnnn1CC ZINC001087622340 1189672827 /nfs/dbraw/zinc/67/28/27/1189672827.db2.gz GVQBPMXHZNPHTA-XLNGHYISSA-N 2 2 364.494 0.486 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnnn1CC ZINC001087622340 1189672838 /nfs/dbraw/zinc/67/28/38/1189672838.db2.gz GVQBPMXHZNPHTA-XLNGHYISSA-N 2 2 364.494 0.486 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnnn1CC ZINC001087622340 1189672844 /nfs/dbraw/zinc/67/28/44/1189672844.db2.gz GVQBPMXHZNPHTA-XLNGHYISSA-N 2 2 364.494 0.486 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000550502061 1189725994 /nfs/dbraw/zinc/72/59/94/1189725994.db2.gz ICFDGSSCMXVOEI-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC[N@@H+]1CC(=O)N(C)C ZINC001087703293 1189786172 /nfs/dbraw/zinc/78/61/72/1189786172.db2.gz PGURHCLEVLSUHN-BHYGNILZSA-N 2 2 361.490 0.811 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC[N@H+]1CC(=O)N(C)C ZINC001087703293 1189786177 /nfs/dbraw/zinc/78/61/77/1189786177.db2.gz PGURHCLEVLSUHN-BHYGNILZSA-N 2 2 361.490 0.811 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@@H+]1CC(=O)NC ZINC001087728276 1189804669 /nfs/dbraw/zinc/80/46/69/1189804669.db2.gz NZSLINLDHHSBOF-GOEBONIOSA-N 2 2 363.462 0.599 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@H+]1CC(=O)NC ZINC001087728276 1189804670 /nfs/dbraw/zinc/80/46/70/1189804670.db2.gz NZSLINLDHHSBOF-GOEBONIOSA-N 2 2 363.462 0.599 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCO)CCOC)cc2)CC1 ZINC000729543605 1189867984 /nfs/dbraw/zinc/86/79/84/1189867984.db2.gz JJUVVPIRLSZXEP-UHFFFAOYSA-N 2 2 364.490 0.708 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCO)CCOC)cc2)CC1 ZINC000729543605 1189867985 /nfs/dbraw/zinc/86/79/85/1189867985.db2.gz JJUVVPIRLSZXEP-UHFFFAOYSA-N 2 2 364.490 0.708 20 0 FCADLP O=C1COc2ccc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)cc2N1 ZINC000895685741 1189874778 /nfs/dbraw/zinc/87/47/78/1189874778.db2.gz OEHWZTFLCNRLBH-KRWDZBQOSA-N 2 2 374.485 0.904 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)on1 ZINC000895684152 1189875065 /nfs/dbraw/zinc/87/50/65/1189875065.db2.gz ADRXGPIXLNCOLN-OAHLLOKOSA-N 2 2 366.462 0.738 20 0 FCADLP COC(=O)CN1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000895687884 1189875165 /nfs/dbraw/zinc/87/51/65/1189875165.db2.gz GBAJVDQTMIVXIX-GOSISDBHSA-N 2 2 368.522 0.010 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000895849812 1189888112 /nfs/dbraw/zinc/88/81/12/1189888112.db2.gz ZSWFLJKMDNJIKS-ROUUACIJSA-N 2 2 372.469 0.796 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000895849812 1189888115 /nfs/dbraw/zinc/88/81/15/1189888115.db2.gz ZSWFLJKMDNJIKS-ROUUACIJSA-N 2 2 372.469 0.796 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1C ZINC001087908790 1189894346 /nfs/dbraw/zinc/89/43/46/1189894346.db2.gz NIEJWVQAJTWXSE-PMPSAXMXSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1C ZINC001087908790 1189894349 /nfs/dbraw/zinc/89/43/49/1189894349.db2.gz NIEJWVQAJTWXSE-PMPSAXMXSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1C ZINC001087908790 1189894352 /nfs/dbraw/zinc/89/43/52/1189894352.db2.gz NIEJWVQAJTWXSE-PMPSAXMXSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1C ZINC001087908790 1189894355 /nfs/dbraw/zinc/89/43/55/1189894355.db2.gz NIEJWVQAJTWXSE-PMPSAXMXSA-N 2 2 360.506 0.752 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920194 1189904069 /nfs/dbraw/zinc/90/40/69/1189904069.db2.gz HMZZHGBCIIWXOO-IXDOHACOSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920194 1189904076 /nfs/dbraw/zinc/90/40/76/1189904076.db2.gz HMZZHGBCIIWXOO-IXDOHACOSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920194 1189904084 /nfs/dbraw/zinc/90/40/84/1189904084.db2.gz HMZZHGBCIIWXOO-IXDOHACOSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920194 1189904089 /nfs/dbraw/zinc/90/40/89/1189904089.db2.gz HMZZHGBCIIWXOO-IXDOHACOSA-N 2 2 362.474 0.902 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087950460 1189981288 /nfs/dbraw/zinc/98/12/88/1189981288.db2.gz TYBDZHXDIFEVIF-PMPSAXMXSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087950460 1189981294 /nfs/dbraw/zinc/98/12/94/1189981294.db2.gz TYBDZHXDIFEVIF-PMPSAXMXSA-N 2 2 369.473 0.902 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)n1 ZINC001087968046 1190024363 /nfs/dbraw/zinc/02/43/63/1190024363.db2.gz XYQLJLZEOGAPGM-SOLBZPMBSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)n1 ZINC001087968046 1190024369 /nfs/dbraw/zinc/02/43/69/1190024369.db2.gz XYQLJLZEOGAPGM-SOLBZPMBSA-N 2 2 358.490 0.437 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000984696088 1190079008 /nfs/dbraw/zinc/07/90/08/1190079008.db2.gz LNCIWOQVDXTWPM-GVDBMIGSSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000984696088 1190079014 /nfs/dbraw/zinc/07/90/14/1190079014.db2.gz LNCIWOQVDXTWPM-GVDBMIGSSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896567236 1190095234 /nfs/dbraw/zinc/09/52/34/1190095234.db2.gz FJNMGTUUTKQUJQ-XLIONFOSSA-N 2 2 373.545 0.798 20 0 FCADLP C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896567236 1190095237 /nfs/dbraw/zinc/09/52/37/1190095237.db2.gz FJNMGTUUTKQUJQ-XLIONFOSSA-N 2 2 373.545 0.798 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCCC1=O ZINC001029481136 1190105472 /nfs/dbraw/zinc/10/54/72/1190105472.db2.gz BXRQIGWFURCJBL-YYIAUSFCSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCCC1=O ZINC001029481136 1190105476 /nfs/dbraw/zinc/10/54/76/1190105476.db2.gz BXRQIGWFURCJBL-YYIAUSFCSA-N 2 2 371.485 0.821 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC000984819286 1190159426 /nfs/dbraw/zinc/15/94/26/1190159426.db2.gz VQUILMFXFLUIDZ-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nncn1C ZINC000984824673 1190162892 /nfs/dbraw/zinc/16/28/92/1190162892.db2.gz OSHWZYVIEPXYTO-KJWHEZOQSA-N 2 2 357.462 0.898 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000984945442 1190312543 /nfs/dbraw/zinc/31/25/43/1190312543.db2.gz BKBSJDHLKSOUHS-MXASKKJJSA-N 2 2 361.490 0.799 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000984945442 1190312547 /nfs/dbraw/zinc/31/25/47/1190312547.db2.gz BKBSJDHLKSOUHS-MXASKKJJSA-N 2 2 361.490 0.799 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1=O ZINC001075866813 1190719162 /nfs/dbraw/zinc/71/91/62/1190719162.db2.gz TWUDFXAWGDJDMO-BHYGNILZSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1=O ZINC001075866813 1190719167 /nfs/dbraw/zinc/71/91/67/1190719167.db2.gz TWUDFXAWGDJDMO-BHYGNILZSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001075866813 1190719173 /nfs/dbraw/zinc/71/91/73/1190719173.db2.gz TWUDFXAWGDJDMO-BHYGNILZSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001075866813 1190719182 /nfs/dbraw/zinc/71/91/82/1190719182.db2.gz TWUDFXAWGDJDMO-BHYGNILZSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1)NC1CC1 ZINC001276756210 1224108664 /nfs/dbraw/zinc/10/86/64/1224108664.db2.gz KKXJBSBWDDSNJS-SFHVURJKSA-N 2 2 359.430 0.003 20 0 FCADLP O=C(C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1)NC1CC1 ZINC001276756210 1224108666 /nfs/dbraw/zinc/10/86/66/1224108666.db2.gz KKXJBSBWDDSNJS-SFHVURJKSA-N 2 2 359.430 0.003 20 0 FCADLP CN(C)C(=O)CCN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276756172 1224108900 /nfs/dbraw/zinc/10/89/00/1224108900.db2.gz JNMVFJGGMHCKIR-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)CCN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276756172 1224108903 /nfs/dbraw/zinc/10/89/03/1224108903.db2.gz JNMVFJGGMHCKIR-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1C[C@@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168129003 1190869553 /nfs/dbraw/zinc/86/95/53/1190869553.db2.gz WDHYLGIEKDLFBG-ZBFHGGJFSA-N 2 2 372.473 0.972 20 0 FCADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168129003 1190869556 /nfs/dbraw/zinc/86/95/56/1190869556.db2.gz WDHYLGIEKDLFBG-ZBFHGGJFSA-N 2 2 372.473 0.972 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)C1 ZINC000986125622 1190898678 /nfs/dbraw/zinc/89/86/78/1190898678.db2.gz BSZQHZRYYQMDRB-IKGGRYGDSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)C1 ZINC000986125622 1190898681 /nfs/dbraw/zinc/89/86/81/1190898681.db2.gz BSZQHZRYYQMDRB-IKGGRYGDSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)C1 ZINC000986125626 1190898703 /nfs/dbraw/zinc/89/87/03/1190898703.db2.gz BSZQHZRYYQMDRB-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)C1 ZINC000986125626 1190898707 /nfs/dbraw/zinc/89/87/07/1190898707.db2.gz BSZQHZRYYQMDRB-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986134609 1190905296 /nfs/dbraw/zinc/90/52/96/1190905296.db2.gz QCDAUXXEIKNYFD-OAGGEKHMSA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986134609 1190905314 /nfs/dbraw/zinc/90/53/14/1190905314.db2.gz QCDAUXXEIKNYFD-OAGGEKHMSA-N 2 2 359.474 0.519 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986190610 1190917400 /nfs/dbraw/zinc/91/74/00/1190917400.db2.gz LSDJESZSFHLZRM-LVQVYYBASA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@H+]1C ZINC000986190610 1190917403 /nfs/dbraw/zinc/91/74/03/1190917403.db2.gz LSDJESZSFHLZRM-LVQVYYBASA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986335876 1190951615 /nfs/dbraw/zinc/95/16/15/1190951615.db2.gz DRKYCQJCLOPIGF-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986335876 1190951617 /nfs/dbraw/zinc/95/16/17/1190951617.db2.gz DRKYCQJCLOPIGF-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000986418440 1190983508 /nfs/dbraw/zinc/98/35/08/1190983508.db2.gz LBPGJTGULXHPMD-PMPSAXMXSA-N 2 2 359.474 0.221 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000986418440 1190983511 /nfs/dbraw/zinc/98/35/11/1190983511.db2.gz LBPGJTGULXHPMD-PMPSAXMXSA-N 2 2 359.474 0.221 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276759013 1224122591 /nfs/dbraw/zinc/12/25/91/1224122591.db2.gz XYVHSEHZLFGTEM-DNVCBOLYSA-N 2 2 367.490 0.583 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276759013 1224122593 /nfs/dbraw/zinc/12/25/93/1224122593.db2.gz XYVHSEHZLFGTEM-DNVCBOLYSA-N 2 2 367.490 0.583 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000986437906 1190994486 /nfs/dbraw/zinc/99/44/86/1190994486.db2.gz NJQWKBDSRNPCCE-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000986437906 1190994487 /nfs/dbraw/zinc/99/44/87/1190994487.db2.gz NJQWKBDSRNPCCE-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1(C)C ZINC000897421757 1191117345 /nfs/dbraw/zinc/11/73/45/1191117345.db2.gz OMRMQCBSGDGKFE-UHFFFAOYSA-N 2 2 373.501 0.715 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1(C)C ZINC000897421757 1191117347 /nfs/dbraw/zinc/11/73/47/1191117347.db2.gz OMRMQCBSGDGKFE-UHFFFAOYSA-N 2 2 373.501 0.715 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000988113380 1191151148 /nfs/dbraw/zinc/15/11/48/1191151148.db2.gz LZJIWQBFYUYBSU-ZBFHGGJFSA-N 2 2 363.462 0.019 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000988143266 1191153202 /nfs/dbraw/zinc/15/32/02/1191153202.db2.gz VTKALIZOPDJXKZ-HLLBOEOZSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000988143266 1191153204 /nfs/dbraw/zinc/15/32/04/1191153204.db2.gz VTKALIZOPDJXKZ-HLLBOEOZSA-N 2 2 361.490 0.610 20 0 FCADLP COC(C)(C)CN1CC[C@@]2(CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276764859 1224132133 /nfs/dbraw/zinc/13/21/33/1224132133.db2.gz YCORQGZWOYVLEJ-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP COC(C)(C)CN1CC[C@@]2(CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276764859 1224132135 /nfs/dbraw/zinc/13/21/35/1224132135.db2.gz YCORQGZWOYVLEJ-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C)C1 ZINC000988366552 1191194895 /nfs/dbraw/zinc/19/48/95/1191194895.db2.gz ZNPDANPCGBDDJT-KBMXLJTQSA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C)C1 ZINC000988366552 1191194897 /nfs/dbraw/zinc/19/48/97/1191194897.db2.gz ZNPDANPCGBDDJT-KBMXLJTQSA-N 2 2 363.462 0.018 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213905 1224147649 /nfs/dbraw/zinc/14/76/49/1224147649.db2.gz JVXWSSUFVYELKU-RRQGHBQHSA-N 2 2 366.462 0.422 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213905 1224147650 /nfs/dbraw/zinc/14/76/50/1224147650.db2.gz JVXWSSUFVYELKU-RRQGHBQHSA-N 2 2 366.462 0.422 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550687236 1193734686 /nfs/dbraw/zinc/73/46/86/1193734686.db2.gz UESDUATXIQWLLV-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550687236 1193734690 /nfs/dbraw/zinc/73/46/90/1193734690.db2.gz UESDUATXIQWLLV-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001691582018 1193735544 /nfs/dbraw/zinc/73/55/44/1193735544.db2.gz LYVWONMSILLVTA-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001691582018 1193735547 /nfs/dbraw/zinc/73/55/47/1193735547.db2.gz LYVWONMSILLVTA-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001691582018 1193735550 /nfs/dbraw/zinc/73/55/50/1193735550.db2.gz LYVWONMSILLVTA-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001691582018 1193735551 /nfs/dbraw/zinc/73/55/51/1193735551.db2.gz LYVWONMSILLVTA-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550702968 1193737555 /nfs/dbraw/zinc/73/75/55/1193737555.db2.gz ZUZSWKWOAFOHRT-UHFFFAOYSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000550702968 1193737557 /nfs/dbraw/zinc/73/75/57/1193737557.db2.gz ZUZSWKWOAFOHRT-UHFFFAOYSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000550758558 1193761560 /nfs/dbraw/zinc/76/15/60/1193761560.db2.gz WBEAKXYMUHBLJE-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000550758558 1193761562 /nfs/dbraw/zinc/76/15/62/1193761562.db2.gz WBEAKXYMUHBLJE-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083465427 1193762696 /nfs/dbraw/zinc/76/26/96/1193762696.db2.gz DVYMZYALGXEZRF-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083465427 1193762699 /nfs/dbraw/zinc/76/26/99/1193762699.db2.gz DVYMZYALGXEZRF-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)ccn1 ZINC001083465639 1193793403 /nfs/dbraw/zinc/79/34/03/1193793403.db2.gz MDBUIICCFQYGDS-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)ccn1 ZINC001083465639 1193793405 /nfs/dbraw/zinc/79/34/05/1193793405.db2.gz MDBUIICCFQYGDS-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000551039263 1193830152 /nfs/dbraw/zinc/83/01/52/1193830152.db2.gz FVZJNPBWZMBUQV-UHFFFAOYSA-N 2 2 370.457 0.750 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)C1=O ZINC001075949936 1193840856 /nfs/dbraw/zinc/84/08/56/1193840856.db2.gz BORWFIYULPBGPE-JCURWCKSSA-N 2 2 353.426 0.940 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)C1=O ZINC001075949936 1193840862 /nfs/dbraw/zinc/84/08/62/1193840862.db2.gz BORWFIYULPBGPE-JCURWCKSSA-N 2 2 353.426 0.940 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576141 1224176470 /nfs/dbraw/zinc/17/64/70/1224176470.db2.gz XLSOHZODCRRTJS-DLBZAZTESA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576141 1224176474 /nfs/dbraw/zinc/17/64/74/1224176474.db2.gz XLSOHZODCRRTJS-DLBZAZTESA-N 2 2 366.506 0.107 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083477789 1193924867 /nfs/dbraw/zinc/92/48/67/1193924867.db2.gz FSIILXCGEZLSBI-CABCVRRESA-N 2 2 368.428 0.969 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083477789 1193924871 /nfs/dbraw/zinc/92/48/71/1193924871.db2.gz FSIILXCGEZLSBI-CABCVRRESA-N 2 2 368.428 0.969 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000552537492 1193937288 /nfs/dbraw/zinc/93/72/88/1193937288.db2.gz FCEXKWQDZQWRBM-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000552538702 1193938651 /nfs/dbraw/zinc/93/86/51/1193938651.db2.gz LJZMLCPWZZYUQX-HNNXBMFYSA-N 2 2 358.446 0.758 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668029 1193946623 /nfs/dbraw/zinc/94/66/23/1193946623.db2.gz VYRLMNLUCCVZII-PSBWJHGTSA-N 2 2 364.490 0.311 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000552864697 1193956564 /nfs/dbraw/zinc/95/65/64/1193956564.db2.gz NGAMKXWXSGRBPW-UHFFFAOYSA-N 2 2 366.506 0.299 20 0 FCADLP CCNc1nc(NC[C@@H](O)C[NH+]2CCC(C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553058623 1193969045 /nfs/dbraw/zinc/96/90/45/1193969045.db2.gz HBPLUDSHMMZECZ-CQSZACIVSA-N 2 2 365.526 0.862 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105670097 1193998411 /nfs/dbraw/zinc/99/84/11/1193998411.db2.gz XTOPXPGJTPURBA-PSBWJHGTSA-N 2 2 364.490 0.873 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cn1 ZINC000842161849 1194071735 /nfs/dbraw/zinc/07/17/35/1194071735.db2.gz FZESAEGEEKJLMW-CHWSQXEVSA-N 2 2 356.430 0.401 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000842194708 1194087204 /nfs/dbraw/zinc/08/72/04/1194087204.db2.gz VLTWDFIKFFFXSA-UHFFFAOYSA-N 2 2 359.474 0.269 20 0 FCADLP CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218659022 1224191883 /nfs/dbraw/zinc/19/18/83/1224191883.db2.gz GMPXJPSNPAMNRE-GWCFXTLKSA-N 2 2 361.377 0.816 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521750 1194136708 /nfs/dbraw/zinc/13/67/08/1194136708.db2.gz GBTCIXVKLFDPMM-ZACQAIPSSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521750 1194136712 /nfs/dbraw/zinc/13/67/12/1194136712.db2.gz GBTCIXVKLFDPMM-ZACQAIPSSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521750 1194136715 /nfs/dbraw/zinc/13/67/15/1194136715.db2.gz GBTCIXVKLFDPMM-ZACQAIPSSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521750 1194136719 /nfs/dbraw/zinc/13/67/19/1194136719.db2.gz GBTCIXVKLFDPMM-ZACQAIPSSA-N 2 2 364.490 0.931 20 0 FCADLP 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COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)n1 ZINC001076046717 1194273612 /nfs/dbraw/zinc/27/36/12/1194273612.db2.gz IGEDYAVCSJAEJB-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)Nc2ccc(N3CCC([NH3+])CC3)nc2)CC[NH2+]1 ZINC001218723929 1224205740 /nfs/dbraw/zinc/20/57/40/1224205740.db2.gz AKZIYMYNDBNYFM-IUODEOHRSA-N 2 2 361.446 0.489 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)Nc1ccc(N3CCC([NH3+])CC3)nc1)C[NH2+]C2 ZINC001218725591 1224206141 /nfs/dbraw/zinc/20/61/41/1224206141.db2.gz XZSJBUVWIKWXCW-AWEZNQCLSA-N 2 2 370.461 0.446 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001076179429 1194340467 /nfs/dbraw/zinc/34/04/67/1194340467.db2.gz FOCMCCVTVGTVAX-XYJFISCASA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001076179429 1194340471 /nfs/dbraw/zinc/34/04/71/1194340471.db2.gz FOCMCCVTVGTVAX-XYJFISCASA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]31)CC2 ZINC001076186722 1194345155 /nfs/dbraw/zinc/34/51/55/1194345155.db2.gz JQCFPYDCERQRFU-RLFYNMQTSA-N 2 2 369.473 0.615 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]31)CC2 ZINC001076186722 1194345160 /nfs/dbraw/zinc/34/51/60/1194345160.db2.gz JQCFPYDCERQRFU-RLFYNMQTSA-N 2 2 369.473 0.615 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001076248011 1194367295 /nfs/dbraw/zinc/36/72/95/1194367295.db2.gz SDHNJWCOVYOJOM-HEHGZKQESA-N 2 2 361.446 0.291 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001076248011 1194367299 /nfs/dbraw/zinc/36/72/99/1194367299.db2.gz SDHNJWCOVYOJOM-HEHGZKQESA-N 2 2 361.446 0.291 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076243649 1194371133 /nfs/dbraw/zinc/37/11/33/1194371133.db2.gz BEDDXJPJICOOBV-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076243649 1194371139 /nfs/dbraw/zinc/37/11/39/1194371139.db2.gz BEDDXJPJICOOBV-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076243649 1194371146 /nfs/dbraw/zinc/37/11/46/1194371146.db2.gz BEDDXJPJICOOBV-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076243649 1194371150 /nfs/dbraw/zinc/37/11/50/1194371150.db2.gz BEDDXJPJICOOBV-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COC(CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)OC ZINC001276794629 1224213036 /nfs/dbraw/zinc/21/30/36/1224213036.db2.gz OYXXLUMBYPQGLD-BEFAXECRSA-N 2 2 371.522 0.811 20 0 FCADLP COC(CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)OC ZINC001276794629 1224213040 /nfs/dbraw/zinc/21/30/40/1224213040.db2.gz OYXXLUMBYPQGLD-BEFAXECRSA-N 2 2 371.522 0.811 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cn1 ZINC001076365587 1194421227 /nfs/dbraw/zinc/42/12/27/1194421227.db2.gz DXWLOHNWIJIBEF-ZWKOTPCHSA-N 2 2 359.474 0.540 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cn1 ZINC001076365587 1194421231 /nfs/dbraw/zinc/42/12/31/1194421231.db2.gz DXWLOHNWIJIBEF-ZWKOTPCHSA-N 2 2 359.474 0.540 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515579 1194531300 /nfs/dbraw/zinc/53/13/00/1194531300.db2.gz GPNLYTFLMYFAST-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515579 1194531303 /nfs/dbraw/zinc/53/13/03/1194531303.db2.gz GPNLYTFLMYFAST-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576501 1194583176 /nfs/dbraw/zinc/58/31/76/1194583176.db2.gz OCKDMSMZEIHBCX-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576501 1194583188 /nfs/dbraw/zinc/58/31/88/1194583188.db2.gz OCKDMSMZEIHBCX-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001076633166 1194606821 /nfs/dbraw/zinc/60/68/21/1194606821.db2.gz AJYQHBFRGFRLRL-ZWKOTPCHSA-N 2 2 367.453 0.976 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001076633166 1194606824 /nfs/dbraw/zinc/60/68/24/1194606824.db2.gz AJYQHBFRGFRLRL-ZWKOTPCHSA-N 2 2 367.453 0.976 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001076633283 1194606866 /nfs/dbraw/zinc/60/68/66/1194606866.db2.gz HCUDTDGVDNSKDH-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001076633283 1194606869 /nfs/dbraw/zinc/60/68/69/1194606869.db2.gz HCUDTDGVDNSKDH-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076747245 1194978683 /nfs/dbraw/zinc/97/86/83/1194978683.db2.gz PLJCLIAKAOPCQG-SQWLQELKSA-N 2 2 362.474 0.984 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076747245 1194978690 /nfs/dbraw/zinc/97/86/90/1194978690.db2.gz PLJCLIAKAOPCQG-SQWLQELKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001076805660 1195024987 /nfs/dbraw/zinc/02/49/87/1195024987.db2.gz PQHBIRDYBRHRQB-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805660 1195024991 /nfs/dbraw/zinc/02/49/91/1195024991.db2.gz PQHBIRDYBRHRQB-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805660 1195024996 /nfs/dbraw/zinc/02/49/96/1195024996.db2.gz PQHBIRDYBRHRQB-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805660 1195025001 /nfs/dbraw/zinc/02/50/01/1195025001.db2.gz PQHBIRDYBRHRQB-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835873 1195043270 /nfs/dbraw/zinc/04/32/70/1195043270.db2.gz OVPXJSQCFKYGPD-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835873 1195043273 /nfs/dbraw/zinc/04/32/73/1195043273.db2.gz OVPXJSQCFKYGPD-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835873 1195043276 /nfs/dbraw/zinc/04/32/76/1195043276.db2.gz OVPXJSQCFKYGPD-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835873 1195043279 /nfs/dbraw/zinc/04/32/79/1195043279.db2.gz OVPXJSQCFKYGPD-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560316 1195155394 /nfs/dbraw/zinc/15/53/94/1195155394.db2.gz ZXTYOGPAFCVILM-SJORKVTESA-N 2 2 362.474 0.829 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560316 1195155399 /nfs/dbraw/zinc/15/53/99/1195155399.db2.gz ZXTYOGPAFCVILM-SJORKVTESA-N 2 2 362.474 0.829 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077032972 1195165897 /nfs/dbraw/zinc/16/58/97/1195165897.db2.gz JFYVRKAMCLUZSI-BRWVUGGUSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001077032972 1195165902 /nfs/dbraw/zinc/16/59/02/1195165902.db2.gz JFYVRKAMCLUZSI-BRWVUGGUSA-N 2 2 362.474 0.492 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)n1 ZINC001083566517 1195299386 /nfs/dbraw/zinc/29/93/86/1195299386.db2.gz ONIIYFIHXKRRBX-NKGKWGDASA-N 2 2 362.474 0.079 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)n1 ZINC001083566517 1195299392 /nfs/dbraw/zinc/29/93/92/1195299392.db2.gz ONIIYFIHXKRRBX-NKGKWGDASA-N 2 2 362.474 0.079 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)n1 ZINC001083566517 1195299398 /nfs/dbraw/zinc/29/93/98/1195299398.db2.gz ONIIYFIHXKRRBX-NKGKWGDASA-N 2 2 362.474 0.079 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)n1 ZINC001083566517 1195299405 /nfs/dbraw/zinc/29/94/05/1195299405.db2.gz ONIIYFIHXKRRBX-NKGKWGDASA-N 2 2 362.474 0.079 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CC1 ZINC001218958662 1224272328 /nfs/dbraw/zinc/27/23/28/1224272328.db2.gz IBNHYFVSFZATDA-OKZBNKHCSA-N 2 2 362.474 0.689 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CC1 ZINC001218958662 1224272330 /nfs/dbraw/zinc/27/23/30/1224272330.db2.gz IBNHYFVSFZATDA-OKZBNKHCSA-N 2 2 362.474 0.689 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001218952404 1224272602 /nfs/dbraw/zinc/27/26/02/1224272602.db2.gz QTIYALNEUUZCMI-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001218952404 1224272607 /nfs/dbraw/zinc/27/26/07/1224272607.db2.gz QTIYALNEUUZCMI-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001077220577 1195330090 /nfs/dbraw/zinc/33/00/90/1195330090.db2.gz ONIIYFIHXKRRBX-BNEJOLLZSA-N 2 2 362.474 0.079 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001077220577 1195330094 /nfs/dbraw/zinc/33/00/94/1195330094.db2.gz ONIIYFIHXKRRBX-BNEJOLLZSA-N 2 2 362.474 0.079 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001077220577 1195330099 /nfs/dbraw/zinc/33/00/99/1195330099.db2.gz ONIIYFIHXKRRBX-BNEJOLLZSA-N 2 2 362.474 0.079 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001077220577 1195330106 /nfs/dbraw/zinc/33/01/06/1195330106.db2.gz ONIIYFIHXKRRBX-BNEJOLLZSA-N 2 2 362.474 0.079 20 0 FCADLP Cc1cc(C)cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077221243 1195330783 /nfs/dbraw/zinc/33/07/83/1195330783.db2.gz JIOBTCXFYHDYHT-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP Cc1cc(C)cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077221243 1195330788 /nfs/dbraw/zinc/33/07/88/1195330788.db2.gz JIOBTCXFYHDYHT-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077221243 1195330791 /nfs/dbraw/zinc/33/07/91/1195330791.db2.gz JIOBTCXFYHDYHT-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP Cc1cc(C)cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077221243 1195330795 /nfs/dbraw/zinc/33/07/95/1195330795.db2.gz JIOBTCXFYHDYHT-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001077233177 1195342316 /nfs/dbraw/zinc/34/23/16/1195342316.db2.gz MZDQSYIAFOZSEM-IAGOWNOFSA-N 2 2 354.414 0.314 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001077233177 1195342321 /nfs/dbraw/zinc/34/23/21/1195342321.db2.gz MZDQSYIAFOZSEM-IAGOWNOFSA-N 2 2 354.414 0.314 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001077274761 1195375072 /nfs/dbraw/zinc/37/50/72/1195375072.db2.gz BTVVWLZBWSXOIG-DNDXXGFKSA-N 2 2 366.462 0.326 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001077274761 1195375078 /nfs/dbraw/zinc/37/50/78/1195375078.db2.gz BTVVWLZBWSXOIG-DNDXXGFKSA-N 2 2 366.462 0.326 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280840 1195381486 /nfs/dbraw/zinc/38/14/86/1195381486.db2.gz NLWXHBFVUMTOOE-KZNAEPCWSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280840 1195381492 /nfs/dbraw/zinc/38/14/92/1195381492.db2.gz NLWXHBFVUMTOOE-KZNAEPCWSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280840 1195381499 /nfs/dbraw/zinc/38/14/99/1195381499.db2.gz NLWXHBFVUMTOOE-KZNAEPCWSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280840 1195381504 /nfs/dbraw/zinc/38/15/04/1195381504.db2.gz NLWXHBFVUMTOOE-KZNAEPCWSA-N 2 2 363.506 0.510 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366616 1195465637 /nfs/dbraw/zinc/46/56/37/1195465637.db2.gz RRWBUQHICUJTTO-KBAYOESNSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366616 1195465643 /nfs/dbraw/zinc/46/56/43/1195465643.db2.gz RRWBUQHICUJTTO-KBAYOESNSA-N 2 2 371.441 0.611 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)ncn1 ZINC001219000876 1224282680 /nfs/dbraw/zinc/28/26/80/1224282680.db2.gz DSSTXAHFGJKNIR-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCCC[NH+](C)C)[C@H]3C2)ncn1 ZINC001219000876 1224282686 /nfs/dbraw/zinc/28/26/86/1224282686.db2.gz DSSTXAHFGJKNIR-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001077394976 1195492478 /nfs/dbraw/zinc/49/24/78/1195492478.db2.gz MYWQWSLVEDICET-HUUCEWRRSA-N 2 2 361.446 0.973 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001077394976 1195492481 /nfs/dbraw/zinc/49/24/81/1195492481.db2.gz MYWQWSLVEDICET-HUUCEWRRSA-N 2 2 361.446 0.973 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580090 1195528361 /nfs/dbraw/zinc/52/83/61/1195528361.db2.gz PNWYIROTRXIPDO-UHOSZYNNSA-N 2 2 354.454 0.850 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)no1 ZINC001083590655 1195586006 /nfs/dbraw/zinc/58/60/06/1195586006.db2.gz PPMJKATUZGOTJZ-IMJJTQAJSA-N 2 2 366.462 0.326 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)no1 ZINC001083590655 1195586011 /nfs/dbraw/zinc/58/60/11/1195586011.db2.gz PPMJKATUZGOTJZ-IMJJTQAJSA-N 2 2 366.462 0.326 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593438 1195599822 /nfs/dbraw/zinc/59/98/22/1195599822.db2.gz NLWXHBFVUMTOOE-KURKYZTESA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593438 1195599825 /nfs/dbraw/zinc/59/98/25/1195599825.db2.gz NLWXHBFVUMTOOE-KURKYZTESA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593438 1195599827 /nfs/dbraw/zinc/59/98/27/1195599827.db2.gz NLWXHBFVUMTOOE-KURKYZTESA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593438 1195599830 /nfs/dbraw/zinc/59/98/30/1195599830.db2.gz NLWXHBFVUMTOOE-KURKYZTESA-N 2 2 363.506 0.510 20 0 FCADLP C[N@H+](Cc1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1)C(C)(C)C ZINC000905789604 1195601725 /nfs/dbraw/zinc/60/17/25/1195601725.db2.gz VXYOMCLOLSYMTI-UHFFFAOYSA-N 2 2 366.510 0.735 20 0 FCADLP C[N@@H+](Cc1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1)C(C)(C)C ZINC000905789604 1195601728 /nfs/dbraw/zinc/60/17/28/1195601728.db2.gz VXYOMCLOLSYMTI-UHFFFAOYSA-N 2 2 366.510 0.735 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000906266761 1195621909 /nfs/dbraw/zinc/62/19/09/1195621909.db2.gz KGHPILLUDKKJGJ-UHFFFAOYSA-N 2 2 360.502 0.628 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000906266761 1195621913 /nfs/dbraw/zinc/62/19/13/1195621913.db2.gz KGHPILLUDKKJGJ-UHFFFAOYSA-N 2 2 360.502 0.628 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccn1CC[NH+]1CCOCC1 ZINC000906459104 1195631726 /nfs/dbraw/zinc/63/17/26/1195631726.db2.gz JNPIPIRVQSEDCT-IRXDYDNUSA-N 2 2 362.474 0.413 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785106 1195664148 /nfs/dbraw/zinc/66/41/48/1195664148.db2.gz DVBSIIVRXWGARN-PXNSSMCTSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785106 1195664157 /nfs/dbraw/zinc/66/41/57/1195664157.db2.gz DVBSIIVRXWGARN-PXNSSMCTSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000906785106 1195664166 /nfs/dbraw/zinc/66/41/66/1195664166.db2.gz DVBSIIVRXWGARN-PXNSSMCTSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000906785106 1195664170 /nfs/dbraw/zinc/66/41/70/1195664170.db2.gz DVBSIIVRXWGARN-PXNSSMCTSA-N 2 2 374.529 0.886 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602210 1195666315 /nfs/dbraw/zinc/66/63/15/1195666315.db2.gz JQXHWGABAHUUFV-SJORKVTESA-N 2 2 371.441 0.513 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602210 1195666320 /nfs/dbraw/zinc/66/63/20/1195666320.db2.gz JQXHWGABAHUUFV-SJORKVTESA-N 2 2 371.441 0.513 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1=O ZINC001083607410 1195686328 /nfs/dbraw/zinc/68/63/28/1195686328.db2.gz WRIRBNBLJFJEGE-IKGGRYGDSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1=O ZINC001083607410 1195686332 /nfs/dbraw/zinc/68/63/32/1195686332.db2.gz WRIRBNBLJFJEGE-IKGGRYGDSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033484 1224304755 /nfs/dbraw/zinc/30/47/55/1224304755.db2.gz NYNMNDJCSVXZSJ-FGTMMUONSA-N 2 2 369.506 0.027 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033484 1224304763 /nfs/dbraw/zinc/30/47/63/1224304763.db2.gz NYNMNDJCSVXZSJ-FGTMMUONSA-N 2 2 369.506 0.027 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3CCCCC[NH2+]3)[nH+]c12 ZINC000911077056 1195886581 /nfs/dbraw/zinc/88/65/81/1195886581.db2.gz ARCPATKJDFDKBN-HNNXBMFYSA-N 2 2 357.458 0.950 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000911187042 1195904321 /nfs/dbraw/zinc/90/43/21/1195904321.db2.gz AXWFGHAYPTUAGV-QGZVFWFLSA-N 2 2 373.501 0.122 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219049795 1224319230 /nfs/dbraw/zinc/31/92/30/1224319230.db2.gz WMUMFXYNDZHZSK-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219049795 1224319236 /nfs/dbraw/zinc/31/92/36/1224319236.db2.gz WMUMFXYNDZHZSK-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219064178 1224331129 /nfs/dbraw/zinc/33/11/29/1224331129.db2.gz QGZCGOVKJXCUNT-IXDOHACOSA-N 2 2 366.506 0.428 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219064178 1224331143 /nfs/dbraw/zinc/33/11/43/1224331143.db2.gz QGZCGOVKJXCUNT-IXDOHACOSA-N 2 2 366.506 0.428 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067309 1224334159 /nfs/dbraw/zinc/33/41/59/1224334159.db2.gz QBRMYHGLKDPIDT-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067309 1224334167 /nfs/dbraw/zinc/33/41/67/1224334167.db2.gz QBRMYHGLKDPIDT-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083647805 1196316893 /nfs/dbraw/zinc/31/68/93/1196316893.db2.gz UGRIOQMLHOMPMS-LESCRADOSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083647805 1196316898 /nfs/dbraw/zinc/31/68/98/1196316898.db2.gz UGRIOQMLHOMPMS-LESCRADOSA-N 2 2 362.474 0.492 20 0 FCADLP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000911938081 1196322223 /nfs/dbraw/zinc/32/22/23/1196322223.db2.gz BKPQVVPJVRKPNB-IBGZPJMESA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000911938081 1196322228 /nfs/dbraw/zinc/32/22/28/1196322228.db2.gz BKPQVVPJVRKPNB-IBGZPJMESA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3CO)cc2)CC1 ZINC000912746489 1196366757 /nfs/dbraw/zinc/36/67/57/1196366757.db2.gz LBQPYUIUTFPFMX-IBGZPJMESA-N 2 2 360.502 0.966 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3CO)cc2)CC1 ZINC000912746489 1196366761 /nfs/dbraw/zinc/36/67/61/1196366761.db2.gz LBQPYUIUTFPFMX-IBGZPJMESA-N 2 2 360.502 0.966 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000592551329 1196567866 /nfs/dbraw/zinc/56/78/66/1196567866.db2.gz LAXMNCZSNIVQOF-KRWDZBQOSA-N 2 2 356.426 0.837 20 0 FCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592564489 1196569004 /nfs/dbraw/zinc/56/90/04/1196569004.db2.gz MEJSLSGNDHTIEY-JKSUJKDBSA-N 2 2 361.490 0.902 20 0 FCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592564489 1196569008 /nfs/dbraw/zinc/56/90/08/1196569008.db2.gz MEJSLSGNDHTIEY-JKSUJKDBSA-N 2 2 361.490 0.902 20 0 FCADLP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000592885334 1196586511 /nfs/dbraw/zinc/58/65/11/1196586511.db2.gz QAVSEVYSBZJGNB-RDJZCZTQSA-N 2 2 366.506 0.014 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000592963296 1196597665 /nfs/dbraw/zinc/59/76/65/1196597665.db2.gz JXUPUXNZKAOIDD-SJORKVTESA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000592963296 1196597678 /nfs/dbraw/zinc/59/76/78/1196597678.db2.gz JXUPUXNZKAOIDD-SJORKVTESA-N 2 2 361.442 0.251 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000761084578 1196740555 /nfs/dbraw/zinc/74/05/55/1196740555.db2.gz ZPISNTZLMHZRRX-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000761084578 1196740560 /nfs/dbraw/zinc/74/05/60/1196740560.db2.gz ZPISNTZLMHZRRX-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP COc1coc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1=O ZINC001088984034 1196856913 /nfs/dbraw/zinc/85/69/13/1196856913.db2.gz CIVXEWCVFXQWPJ-HIFRSBDPSA-N 2 2 361.442 0.823 20 0 FCADLP COc1coc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1=O ZINC001088984034 1196856914 /nfs/dbraw/zinc/85/69/14/1196856914.db2.gz CIVXEWCVFXQWPJ-HIFRSBDPSA-N 2 2 361.442 0.823 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001272459762 1197088048 /nfs/dbraw/zinc/08/80/48/1197088048.db2.gz NZUWNUBCBRYVNX-FHLIZLRMSA-N 2 2 363.462 0.056 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2)[C@H](CO)n1cc[nH+]c1 ZINC001272459313 1197088372 /nfs/dbraw/zinc/08/83/72/1197088372.db2.gz GNLQRDUJRBMYLF-JQHSSLGASA-N 2 2 358.446 0.891 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106153657 1197315089 /nfs/dbraw/zinc/31/50/89/1197315089.db2.gz NBTDIVHDYZASAY-HZPDHXFCSA-N 2 2 371.489 0.738 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153548 1197315176 /nfs/dbraw/zinc/31/51/76/1197315176.db2.gz HVGPRQLVMLQLDE-RBSFLKMASA-N 2 2 361.490 0.581 20 0 FCADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001106171676 1197324869 /nfs/dbraw/zinc/32/48/69/1197324869.db2.gz FYUAQSSJSVRYTO-BPLDGKMQSA-N 2 2 363.462 0.271 20 0 FCADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001106171676 1197324875 /nfs/dbraw/zinc/32/48/75/1197324875.db2.gz FYUAQSSJSVRYTO-BPLDGKMQSA-N 2 2 363.462 0.271 20 0 FCADLP C[C@@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC000992949350 1197627770 /nfs/dbraw/zinc/62/77/70/1197627770.db2.gz SIDYFTAMTDEFTC-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@@]12CN(C(=O)CCn3cc[nH+]c3)C[C@@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC000992950997 1197628946 /nfs/dbraw/zinc/62/89/46/1197628946.db2.gz GQPYFRXLGNNPHJ-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992990471 1197647480 /nfs/dbraw/zinc/64/74/80/1197647480.db2.gz FPBLWRYYMKHQJU-UMHPPVOVSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992990471 1197647489 /nfs/dbraw/zinc/64/74/89/1197647489.db2.gz FPBLWRYYMKHQJU-UMHPPVOVSA-N 2 2 359.474 0.599 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3CC[N@@H+]3C)CC2)CC1 ZINC000925410949 1197664358 /nfs/dbraw/zinc/66/43/58/1197664358.db2.gz KULSXOORERPAEW-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3CC[N@H+]3C)CC2)CC1 ZINC000925410949 1197664366 /nfs/dbraw/zinc/66/43/66/1197664366.db2.gz KULSXOORERPAEW-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1)C1CC1 ZINC000993026263 1197691615 /nfs/dbraw/zinc/69/16/15/1197691615.db2.gz QELCEOZLHTULME-BJZITVGISA-N 2 2 359.474 0.599 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1 ZINC000993047157 1197737198 /nfs/dbraw/zinc/73/71/98/1197737198.db2.gz JCIIEPMOYRUOEV-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1 ZINC000993047157 1197737208 /nfs/dbraw/zinc/73/72/08/1197737208.db2.gz JCIIEPMOYRUOEV-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993047157 1197737229 /nfs/dbraw/zinc/73/72/29/1197737229.db2.gz JCIIEPMOYRUOEV-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993047157 1197737243 /nfs/dbraw/zinc/73/72/43/1197737243.db2.gz JCIIEPMOYRUOEV-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085248246 1197744437 /nfs/dbraw/zinc/74/44/37/1197744437.db2.gz ALPHKABKVGVSLB-IAOVAPTHSA-N 2 2 357.462 0.791 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085250053 1197746640 /nfs/dbraw/zinc/74/66/40/1197746640.db2.gz CYKAQGXUGXJJRC-BPLDGKMQSA-N 2 2 358.450 0.186 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106225874 1197749085 /nfs/dbraw/zinc/74/90/85/1197749085.db2.gz KPWPXMMGKMYYTN-BFYDXBDKSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106225874 1197749094 /nfs/dbraw/zinc/74/90/94/1197749094.db2.gz KPWPXMMGKMYYTN-BFYDXBDKSA-N 2 2 360.462 0.284 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1)N1CCC1 ZINC001085250463 1197749444 /nfs/dbraw/zinc/74/94/44/1197749444.db2.gz VMSCUKWEAWSTCW-USXIJHARSA-N 2 2 359.474 0.695 20 0 FCADLP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C[NH+](C)C)on2)C1=O ZINC001085252695 1197750843 /nfs/dbraw/zinc/75/08/43/1197750843.db2.gz CDVBBFFPHWPEDI-KFWWJZLASA-N 2 2 363.462 0.598 20 0 FCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224417 1197752178 /nfs/dbraw/zinc/75/21/78/1197752178.db2.gz XQSAHBUKVPAVMC-BFYDXBDKSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224417 1197752190 /nfs/dbraw/zinc/75/21/90/1197752190.db2.gz XQSAHBUKVPAVMC-BFYDXBDKSA-N 2 2 368.478 0.050 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC000993079927 1197803040 /nfs/dbraw/zinc/80/30/40/1197803040.db2.gz DQECQVDYVZLARW-KVSKMBFKSA-N 2 2 359.474 0.530 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993079403 1197805178 /nfs/dbraw/zinc/80/51/78/1197805178.db2.gz BFLZDNTZVUSYFC-TXPKVOOTSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993079403 1197805180 /nfs/dbraw/zinc/80/51/80/1197805180.db2.gz BFLZDNTZVUSYFC-TXPKVOOTSA-N 2 2 359.474 0.674 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725730 1197809839 /nfs/dbraw/zinc/80/98/39/1197809839.db2.gz MSHLOKWZQATQCD-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725730 1197809849 /nfs/dbraw/zinc/80/98/49/1197809849.db2.gz MSHLOKWZQATQCD-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725730 1197809851 /nfs/dbraw/zinc/80/98/51/1197809851.db2.gz MSHLOKWZQATQCD-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725730 1197809852 /nfs/dbraw/zinc/80/98/52/1197809852.db2.gz MSHLOKWZQATQCD-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726009 1197812710 /nfs/dbraw/zinc/81/27/10/1197812710.db2.gz WZBZTRMSWYLVMP-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726009 1197812713 /nfs/dbraw/zinc/81/27/13/1197812713.db2.gz WZBZTRMSWYLVMP-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726009 1197812717 /nfs/dbraw/zinc/81/27/17/1197812717.db2.gz WZBZTRMSWYLVMP-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726009 1197812719 /nfs/dbraw/zinc/81/27/19/1197812719.db2.gz WZBZTRMSWYLVMP-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001085337495 1197831277 /nfs/dbraw/zinc/83/12/77/1197831277.db2.gz CWIRTBNLTCWTDL-KLHDSHLOSA-N 2 2 359.474 0.773 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085350406 1197838134 /nfs/dbraw/zinc/83/81/34/1197838134.db2.gz GDEWJXGBDCLYPF-ZIAGYGMSSA-N 2 2 360.466 0.747 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001085394654 1197863409 /nfs/dbraw/zinc/86/34/09/1197863409.db2.gz WRBBRTLECZQTNB-HUUCEWRRSA-N 2 2 358.450 0.501 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106339961 1197869874 /nfs/dbraw/zinc/86/98/74/1197869874.db2.gz HHQSVSKXZIZFSL-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001085405998 1197871046 /nfs/dbraw/zinc/87/10/46/1197871046.db2.gz JQPVGWOCWYJLPX-HUUCEWRRSA-N 2 2 363.462 0.136 20 0 FCADLP C[C@@]12CN(C(=O)Cn3cc[nH+]c3)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC000993149670 1197884031 /nfs/dbraw/zinc/88/40/31/1197884031.db2.gz IYQNCJYQMAXMBC-APWZRJJASA-N 2 2 371.485 0.818 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001085421870 1197887151 /nfs/dbraw/zinc/88/71/51/1197887151.db2.gz ABKBUXDCFSFGHY-RRFJBIMHSA-N 2 2 363.510 0.897 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001085421870 1197887157 /nfs/dbraw/zinc/88/71/57/1197887157.db2.gz ABKBUXDCFSFGHY-RRFJBIMHSA-N 2 2 363.510 0.897 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C(C)C ZINC001085424587 1197888599 /nfs/dbraw/zinc/88/85/99/1197888599.db2.gz XHOCTYQEOAPYMF-HUUCEWRRSA-N 2 2 360.466 0.976 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106419296 1197913081 /nfs/dbraw/zinc/91/30/81/1197913081.db2.gz DJTPARQNLONRBK-HUUCEWRRSA-N 2 2 370.457 0.657 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3CO)cc21 ZINC000828716027 1197946595 /nfs/dbraw/zinc/94/65/95/1197946595.db2.gz JAFNFVXGMPRZPU-CQSZACIVSA-N 2 2 361.446 0.052 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)cc21 ZINC000828716027 1197946599 /nfs/dbraw/zinc/94/65/99/1197946599.db2.gz JAFNFVXGMPRZPU-CQSZACIVSA-N 2 2 361.446 0.052 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106498688 1197979524 /nfs/dbraw/zinc/97/95/24/1197979524.db2.gz KRRKKMVQDBMTSF-HUUCEWRRSA-N 2 2 371.445 0.386 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1)C(N)=O ZINC001086088596 1198152321 /nfs/dbraw/zinc/15/23/21/1198152321.db2.gz GJTLDUYVJWLDNU-DGXTUMSLSA-N 2 2 359.474 0.512 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086112071 1198174714 /nfs/dbraw/zinc/17/47/14/1198174714.db2.gz QFQODRSFPBXAAQ-XLWJZTARSA-N 2 2 355.446 0.777 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086112071 1198174720 /nfs/dbraw/zinc/17/47/20/1198174720.db2.gz QFQODRSFPBXAAQ-XLWJZTARSA-N 2 2 355.446 0.777 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001086201160 1198249790 /nfs/dbraw/zinc/24/97/90/1198249790.db2.gz LSYZLXRHKAMDGB-ZVDSWSACSA-N 2 2 369.473 0.787 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400318 1198354900 /nfs/dbraw/zinc/35/49/00/1198354900.db2.gz BKVOMCRRMAOLAG-KBUPBQIOSA-N 2 2 364.494 0.632 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400318 1198354907 /nfs/dbraw/zinc/35/49/07/1198354907.db2.gz BKVOMCRRMAOLAG-KBUPBQIOSA-N 2 2 364.494 0.632 20 0 FCADLP COc1cc2c(cc1NC(=O)C[NH2+]C1CC[NH2+]CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500951 1224489383 /nfs/dbraw/zinc/48/93/83/1224489383.db2.gz LVNMPWHAVLMGEV-IBGZPJMESA-N 3 2 373.457 0.159 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543645 1224504777 /nfs/dbraw/zinc/50/47/77/1224504777.db2.gz ORXYBTJHQQUXHT-WBVHZDCISA-N 2 2 357.458 0.770 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543645 1224504779 /nfs/dbraw/zinc/50/47/79/1224504779.db2.gz ORXYBTJHQQUXHT-WBVHZDCISA-N 2 2 357.458 0.770 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1C ZINC000746384924 1199018859 /nfs/dbraw/zinc/01/88/59/1199018859.db2.gz RGABERYKOCFVII-UHFFFAOYSA-N 2 2 374.445 0.720 20 0 FCADLP CCOC(=O)C1=C(C[N@H+](C)CCCN2CC[NH+](C)CC2)NC(=O)N[C@H]1C ZINC000746463101 1199033534 /nfs/dbraw/zinc/03/35/34/1199033534.db2.gz JONDDPJJIPHMMY-AWEZNQCLSA-N 2 2 367.494 0.074 20 0 FCADLP CCOC(=O)C1=C(C[N@@H+](C)CCCN2CC[NH+](C)CC2)NC(=O)N[C@H]1C ZINC000746463101 1199033542 /nfs/dbraw/zinc/03/35/42/1199033542.db2.gz JONDDPJJIPHMMY-AWEZNQCLSA-N 2 2 367.494 0.074 20 0 FCADLP NC(=O)C1([NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1 ZINC000746473398 1199035133 /nfs/dbraw/zinc/03/51/33/1199035133.db2.gz UCXDFFQLSDHMBQ-UHFFFAOYSA-N 2 2 366.506 0.525 20 0 FCADLP CCOC(=O)C1CCN(c2cncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2)CC1 ZINC001169073888 1199044553 /nfs/dbraw/zinc/04/45/53/1199044553.db2.gz GAYVIZFAJSLAHE-OAHLLOKOSA-N 2 2 373.457 0.909 20 0 FCADLP CC[NH+]1CCC([NH2+]CC(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC001169230112 1199057140 /nfs/dbraw/zinc/05/71/40/1199057140.db2.gz QKVRGYGEDOYHKX-KRWDZBQOSA-N 2 2 365.474 0.927 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109222873 1200118893 /nfs/dbraw/zinc/11/88/93/1200118893.db2.gz FRPPZCQPTWBWFV-WCVJEAGWSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109222873 1200118900 /nfs/dbraw/zinc/11/89/00/1200118900.db2.gz FRPPZCQPTWBWFV-WCVJEAGWSA-N 2 2 359.474 0.980 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223293 1200119490 /nfs/dbraw/zinc/11/94/90/1200119490.db2.gz USTYWROHEWVJPK-UGUYLWEFSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223293 1200119494 /nfs/dbraw/zinc/11/94/94/1200119494.db2.gz USTYWROHEWVJPK-UGUYLWEFSA-N 2 2 366.462 0.088 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402605 1200251057 /nfs/dbraw/zinc/25/10/57/1200251057.db2.gz WGKNBAZFIMKQKC-DFEOGRTESA-N 2 2 362.518 0.917 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402605 1200251062 /nfs/dbraw/zinc/25/10/62/1200251062.db2.gz WGKNBAZFIMKQKC-DFEOGRTESA-N 2 2 362.518 0.917 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109465071 1200304757 /nfs/dbraw/zinc/30/47/57/1200304757.db2.gz KDOQXMCIRRRALV-CRWXNKLISA-N 2 2 367.494 0.282 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109465071 1200304766 /nfs/dbraw/zinc/30/47/66/1200304766.db2.gz KDOQXMCIRRRALV-CRWXNKLISA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109465071 1200304778 /nfs/dbraw/zinc/30/47/78/1200304778.db2.gz KDOQXMCIRRRALV-CRWXNKLISA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001109465071 1200304788 /nfs/dbraw/zinc/30/47/88/1200304788.db2.gz KDOQXMCIRRRALV-CRWXNKLISA-N 2 2 367.494 0.282 20 0 FCADLP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)cc1=O ZINC001109579183 1200400094 /nfs/dbraw/zinc/40/00/94/1200400094.db2.gz HLKHFPYBOJEFJH-IKGGRYGDSA-N 2 2 355.442 0.894 20 0 FCADLP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)cc1=O ZINC001109579183 1200400098 /nfs/dbraw/zinc/40/00/98/1200400098.db2.gz HLKHFPYBOJEFJH-IKGGRYGDSA-N 2 2 355.442 0.894 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650154 1200441939 /nfs/dbraw/zinc/44/19/39/1200441939.db2.gz VXCLCXJGPBMPHZ-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650154 1200441943 /nfs/dbraw/zinc/44/19/43/1200441943.db2.gz VXCLCXJGPBMPHZ-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](C(=O)NCc1ccco1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672908 1200460360 /nfs/dbraw/zinc/46/03/60/1200460360.db2.gz YJZBKXMSVRUNFJ-FSDCSDTHSA-N 2 2 362.474 0.958 20 0 FCADLP C[C@@H](C(=O)NCc1ccco1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672908 1200460367 /nfs/dbraw/zinc/46/03/67/1200460367.db2.gz YJZBKXMSVRUNFJ-FSDCSDTHSA-N 2 2 362.474 0.958 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)C1 ZINC001109721650 1200487302 /nfs/dbraw/zinc/48/73/02/1200487302.db2.gz QSCHLBMDYLBLAZ-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)C1 ZINC001109721650 1200487308 /nfs/dbraw/zinc/48/73/08/1200487308.db2.gz QSCHLBMDYLBLAZ-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)C1 ZINC001109721650 1200487314 /nfs/dbraw/zinc/48/73/14/1200487314.db2.gz QSCHLBMDYLBLAZ-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)C1 ZINC001109721650 1200487325 /nfs/dbraw/zinc/48/73/25/1200487325.db2.gz QSCHLBMDYLBLAZ-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O)C(C)C ZINC001109859431 1200571087 /nfs/dbraw/zinc/57/10/87/1200571087.db2.gz UQTOOUKXKVJSMM-ORIJERBGSA-N 2 2 367.494 0.269 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O)C(C)C ZINC001109859431 1200571091 /nfs/dbraw/zinc/57/10/91/1200571091.db2.gz UQTOOUKXKVJSMM-ORIJERBGSA-N 2 2 367.494 0.269 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878173 1200586528 /nfs/dbraw/zinc/58/65/28/1200586528.db2.gz KBSIVODSAARKFD-KBXIAJHMSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878173 1200586537 /nfs/dbraw/zinc/58/65/37/1200586537.db2.gz KBSIVODSAARKFD-KBXIAJHMSA-N 2 2 365.478 0.023 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902645 1200602433 /nfs/dbraw/zinc/60/24/33/1200602433.db2.gz UIKHYKOFQZKXPU-PVAVHDDUSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902645 1200602439 /nfs/dbraw/zinc/60/24/39/1200602439.db2.gz UIKHYKOFQZKXPU-PVAVHDDUSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)CC1 ZINC001109918640 1200606609 /nfs/dbraw/zinc/60/66/09/1200606609.db2.gz SHGNMQCLRRHWHS-ILXRZTDVSA-N 2 2 365.478 0.023 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)CC1 ZINC001109918640 1200606616 /nfs/dbraw/zinc/60/66/16/1200606616.db2.gz SHGNMQCLRRHWHS-ILXRZTDVSA-N 2 2 365.478 0.023 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975838 1200656959 /nfs/dbraw/zinc/65/69/59/1200656959.db2.gz GYHDBTNZTKCLJA-JHNDHUHGSA-N 2 2 361.490 0.939 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975838 1200656967 /nfs/dbraw/zinc/65/69/67/1200656967.db2.gz GYHDBTNZTKCLJA-JHNDHUHGSA-N 2 2 361.490 0.939 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975989 1200657616 /nfs/dbraw/zinc/65/76/16/1200657616.db2.gz MUDGXWNTTJNGDL-KBMXLJTQSA-N 2 2 362.478 0.392 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975989 1200657617 /nfs/dbraw/zinc/65/76/17/1200657617.db2.gz MUDGXWNTTJNGDL-KBMXLJTQSA-N 2 2 362.478 0.392 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034682 1200716726 /nfs/dbraw/zinc/71/67/26/1200716726.db2.gz JLXCBJYVEFFCBH-JHNDHUHGSA-N 2 2 366.462 0.006 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034682 1200716742 /nfs/dbraw/zinc/71/67/42/1200716742.db2.gz JLXCBJYVEFFCBH-JHNDHUHGSA-N 2 2 366.462 0.006 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660952 1200786100 /nfs/dbraw/zinc/78/61/00/1200786100.db2.gz LKYHCZPHMUMXGF-IRXDYDNUSA-N 2 2 367.490 0.585 20 0 FCADLP C[N@H+]1CCCC[C@H]1CCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660952 1200786107 /nfs/dbraw/zinc/78/61/07/1200786107.db2.gz LKYHCZPHMUMXGF-IRXDYDNUSA-N 2 2 367.490 0.585 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001219827867 1224641401 /nfs/dbraw/zinc/64/14/01/1224641401.db2.gz OVYVURRJUXGZHM-SRABZTEZSA-N 2 2 373.461 0.137 20 0 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Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000788794753 1200974876 /nfs/dbraw/zinc/97/48/76/1200974876.db2.gz IFFXOGUPWXVURM-LSDHHAIUSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000788794753 1200974884 /nfs/dbraw/zinc/97/48/84/1200974884.db2.gz IFFXOGUPWXVURM-LSDHHAIUSA-N 2 2 359.474 0.727 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579073 1201022677 /nfs/dbraw/zinc/02/26/77/1201022677.db2.gz KZOPXRWFYCESJC-IPMKNSEASA-N 2 2 370.497 0.897 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579073 1201022691 /nfs/dbraw/zinc/02/26/91/1201022691.db2.gz KZOPXRWFYCESJC-IPMKNSEASA-N 2 2 370.497 0.897 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579073 1201022700 /nfs/dbraw/zinc/02/27/00/1201022700.db2.gz KZOPXRWFYCESJC-IPMKNSEASA-N 2 2 370.497 0.897 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579073 1201022709 /nfs/dbraw/zinc/02/27/09/1201022709.db2.gz KZOPXRWFYCESJC-IPMKNSEASA-N 2 2 370.497 0.897 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000790273090 1201065141 /nfs/dbraw/zinc/06/51/41/1201065141.db2.gz CRKGYZBQSSBUTR-BZUAXINKSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000790273090 1201065151 /nfs/dbraw/zinc/06/51/51/1201065151.db2.gz CRKGYZBQSSBUTR-BZUAXINKSA-N 2 2 359.474 0.869 20 0 FCADLP O=C1O[C@]2(CN1C[N@@H+]1CCOCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790381724 1201071376 /nfs/dbraw/zinc/07/13/76/1201071376.db2.gz AWTMEBXETMAPMY-IBGZPJMESA-N 2 2 365.474 0.990 20 0 FCADLP O=C1O[C@]2(CN1C[N@H+]1CCOCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790381724 1201071382 /nfs/dbraw/zinc/07/13/82/1201071382.db2.gz AWTMEBXETMAPMY-IBGZPJMESA-N 2 2 365.474 0.990 20 0 FCADLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC001170338650 1201207269 /nfs/dbraw/zinc/20/72/69/1201207269.db2.gz VLKZNOUJWFZMFM-UHFFFAOYSA-N 2 2 359.434 0.002 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129404590 1201308624 /nfs/dbraw/zinc/30/86/24/1201308624.db2.gz XOLLQXJZBATRPJ-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129404590 1201308633 /nfs/dbraw/zinc/30/86/33/1201308633.db2.gz XOLLQXJZBATRPJ-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129404590 1201308641 /nfs/dbraw/zinc/30/86/41/1201308641.db2.gz XOLLQXJZBATRPJ-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129404590 1201308645 /nfs/dbraw/zinc/30/86/45/1201308645.db2.gz XOLLQXJZBATRPJ-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623820 1201351954 /nfs/dbraw/zinc/35/19/54/1201351954.db2.gz YUCOJXHBBZXJNB-RYQLBKOJSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623820 1201351956 /nfs/dbraw/zinc/35/19/56/1201351956.db2.gz YUCOJXHBBZXJNB-RYQLBKOJSA-N 2 2 358.486 0.801 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]([NH2+]CCCO)[C@@H](n4ccnn4)C3)ccn12 ZINC001129855999 1201405540 /nfs/dbraw/zinc/40/55/40/1201405540.db2.gz UMECPPBVDCYRRT-CVEARBPZSA-N 2 2 369.429 0.272 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001219894085 1224672904 /nfs/dbraw/zinc/67/29/04/1224672904.db2.gz URGVAEZUJMLCHY-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001219894085 1224672905 /nfs/dbraw/zinc/67/29/05/1224672905.db2.gz URGVAEZUJMLCHY-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001129900193 1201433108 /nfs/dbraw/zinc/43/31/08/1201433108.db2.gz AFMYWIWKQGBDGG-USXIJHARSA-N 2 2 358.442 0.967 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001129900193 1201433111 /nfs/dbraw/zinc/43/31/11/1201433111.db2.gz AFMYWIWKQGBDGG-USXIJHARSA-N 2 2 358.442 0.967 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896692 1224673073 /nfs/dbraw/zinc/67/30/73/1224673073.db2.gz DSKPTRNKHNWOSN-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896692 1224673074 /nfs/dbraw/zinc/67/30/74/1224673074.db2.gz DSKPTRNKHNWOSN-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896692 1224673076 /nfs/dbraw/zinc/67/30/76/1224673076.db2.gz DSKPTRNKHNWOSN-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896692 1224673078 /nfs/dbraw/zinc/67/30/78/1224673078.db2.gz DSKPTRNKHNWOSN-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941211 1201439068 /nfs/dbraw/zinc/43/90/68/1201439068.db2.gz OIKDJOVBGSMQRF-CVEARBPZSA-N 2 2 357.462 0.952 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219902376 1224675105 /nfs/dbraw/zinc/67/51/05/1224675105.db2.gz ACUNJIFVVVNFIZ-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219902376 1224675109 /nfs/dbraw/zinc/67/51/09/1224675109.db2.gz ACUNJIFVVVNFIZ-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219902376 1224675113 /nfs/dbraw/zinc/67/51/13/1224675113.db2.gz ACUNJIFVVVNFIZ-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001219902376 1224675117 /nfs/dbraw/zinc/67/51/17/1224675117.db2.gz ACUNJIFVVVNFIZ-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219906345 1224676902 /nfs/dbraw/zinc/67/69/02/1224676902.db2.gz KXQRBNYHWBLVML-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219906345 1224676906 /nfs/dbraw/zinc/67/69/06/1224676906.db2.gz KXQRBNYHWBLVML-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219906345 1224676912 /nfs/dbraw/zinc/67/69/12/1224676912.db2.gz KXQRBNYHWBLVML-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001219906345 1224676920 /nfs/dbraw/zinc/67/69/20/1224676920.db2.gz KXQRBNYHWBLVML-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910815 1224678123 /nfs/dbraw/zinc/67/81/23/1224678123.db2.gz TZNGZHIHQFHNCP-MSOLQXFVSA-N 2 2 355.442 0.664 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910815 1224678126 /nfs/dbraw/zinc/67/81/26/1224678126.db2.gz TZNGZHIHQFHNCP-MSOLQXFVSA-N 2 2 355.442 0.664 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130151098 1201517612 /nfs/dbraw/zinc/51/76/12/1201517612.db2.gz IRNZWYIOJBYNGP-CVEARBPZSA-N 2 2 359.434 0.085 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nc(-c2ccco2)no1 ZINC001130184391 1201537434 /nfs/dbraw/zinc/53/74/34/1201537434.db2.gz OJHUHDWURCXRTF-YRGRVCCFSA-N 2 2 363.418 0.816 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nc(-c2ccco2)no1 ZINC001130184391 1201537436 /nfs/dbraw/zinc/53/74/36/1201537436.db2.gz OJHUHDWURCXRTF-YRGRVCCFSA-N 2 2 363.418 0.816 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001130223411 1201551866 /nfs/dbraw/zinc/55/18/66/1201551866.db2.gz SBFLMBDDPHROOS-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001130223411 1201551871 /nfs/dbraw/zinc/55/18/71/1201551871.db2.gz SBFLMBDDPHROOS-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130223411 1201551876 /nfs/dbraw/zinc/55/18/76/1201551876.db2.gz SBFLMBDDPHROOS-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001130223411 1201551877 /nfs/dbraw/zinc/55/18/77/1201551877.db2.gz SBFLMBDDPHROOS-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130222947 1201552345 /nfs/dbraw/zinc/55/23/45/1201552345.db2.gz JGDHTMWCNSUZOY-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130222947 1201552349 /nfs/dbraw/zinc/55/23/49/1201552349.db2.gz JGDHTMWCNSUZOY-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130222947 1201552351 /nfs/dbraw/zinc/55/23/51/1201552351.db2.gz JGDHTMWCNSUZOY-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130222947 1201552354 /nfs/dbraw/zinc/55/23/54/1201552354.db2.gz JGDHTMWCNSUZOY-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130251521 1201570520 /nfs/dbraw/zinc/57/05/20/1201570520.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130251521 1201570525 /nfs/dbraw/zinc/57/05/25/1201570525.db2.gz YVVVUMPRRDPRAX-GJZGRUSLSA-N 2 2 364.494 0.633 20 0 FCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219923227 1224683879 /nfs/dbraw/zinc/68/38/79/1224683879.db2.gz XXHUMFYKQGWMMM-PMPSAXMXSA-N 2 2 366.506 0.079 20 0 FCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219923227 1224683883 /nfs/dbraw/zinc/68/38/83/1224683883.db2.gz XXHUMFYKQGWMMM-PMPSAXMXSA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219923227 1224683886 /nfs/dbraw/zinc/68/38/86/1224683886.db2.gz XXHUMFYKQGWMMM-PMPSAXMXSA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219923227 1224683889 /nfs/dbraw/zinc/68/38/89/1224683889.db2.gz XXHUMFYKQGWMMM-PMPSAXMXSA-N 2 2 366.506 0.079 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)NCc1cccnc1C1CC[NH2+]CC1)C[NH2+]C2 ZINC001219928986 1224685770 /nfs/dbraw/zinc/68/57/70/1224685770.db2.gz AEOVHXQNXJBQQX-HNNXBMFYSA-N 2 2 369.473 0.663 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001219931101 1224687759 /nfs/dbraw/zinc/68/77/59/1224687759.db2.gz LTRIQOVFFSFAGV-GOEBONIOSA-N 2 2 360.458 0.706 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C[NH2+]1 ZINC001219967774 1224706016 /nfs/dbraw/zinc/70/60/16/1224706016.db2.gz JPCAXOJLIIWXTF-SQNIBIBYSA-N 2 2 374.485 0.479 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978222 1224710611 /nfs/dbraw/zinc/71/06/11/1224710611.db2.gz HGMSSGOUUYPJNY-IAGOWNOFSA-N 2 2 356.470 0.766 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978222 1224710618 /nfs/dbraw/zinc/71/06/18/1224710618.db2.gz HGMSSGOUUYPJNY-IAGOWNOFSA-N 2 2 356.470 0.766 20 0 FCADLP [NH3+]CCOCCOCCNc1nc[nH+]c2cc(N3CCOCC3)ccc21 ZINC001170506777 1202725753 /nfs/dbraw/zinc/72/57/53/1202725753.db2.gz AGNYTAVTRVMVRK-UHFFFAOYSA-N 2 2 361.446 0.870 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130637576 1202740351 /nfs/dbraw/zinc/74/03/51/1202740351.db2.gz AEUQGUMHKXPSTB-YQQAZPJKSA-N 2 2 360.462 0.626 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)nc1 ZINC001130670234 1202751891 /nfs/dbraw/zinc/75/18/91/1202751891.db2.gz SFPKWBHHIAKWHG-DOTOQJQBSA-N 2 2 371.489 0.554 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685521 1202753760 /nfs/dbraw/zinc/75/37/60/1202753760.db2.gz WZFUTJKJLJDXCP-UKPHBRMFSA-N 2 2 360.462 0.431 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739811 1202771648 /nfs/dbraw/zinc/77/16/48/1202771648.db2.gz PGGKHAVJDRQXIW-HLLBOEOZSA-N 2 2 360.462 0.362 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772521 1202788016 /nfs/dbraw/zinc/78/80/16/1202788016.db2.gz QATCXTUEMRDBFL-SOUVJXGZSA-N 2 2 364.494 0.981 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@H+]3C)n2)O1 ZINC001130772521 1202788020 /nfs/dbraw/zinc/78/80/20/1202788020.db2.gz QATCXTUEMRDBFL-SOUVJXGZSA-N 2 2 364.494 0.981 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130772614 1202788046 /nfs/dbraw/zinc/78/80/46/1202788046.db2.gz UJSFCLFYTIUIFA-BFHYXJOUSA-N 2 2 368.457 0.684 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130772614 1202788051 /nfs/dbraw/zinc/78/80/51/1202788051.db2.gz UJSFCLFYTIUIFA-BFHYXJOUSA-N 2 2 368.457 0.684 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1)[NH+](C)C ZINC001130790142 1202798462 /nfs/dbraw/zinc/79/84/62/1202798462.db2.gz KAKLCFDETQMIGE-BFHYXJOUSA-N 2 2 368.482 0.217 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCCC3)n2)O1 ZINC001130817293 1202808013 /nfs/dbraw/zinc/80/80/13/1202808013.db2.gz KNSJSDQQLDEFBD-LSDHHAIUSA-N 2 2 364.494 0.982 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130820559 1202809815 /nfs/dbraw/zinc/80/98/15/1202809815.db2.gz YCNMVMCEYJWRLZ-UONOGXRCSA-N 2 2 370.473 0.930 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130820559 1202809816 /nfs/dbraw/zinc/80/98/16/1202809816.db2.gz YCNMVMCEYJWRLZ-UONOGXRCSA-N 2 2 370.473 0.930 20 0 FCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807280769 1202816634 /nfs/dbraw/zinc/81/66/34/1202816634.db2.gz KTSICCYHHXYOCY-IAGOWNOFSA-N 2 2 371.441 0.848 20 0 FCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000807280769 1202816637 /nfs/dbraw/zinc/81/66/37/1202816637.db2.gz KTSICCYHHXYOCY-IAGOWNOFSA-N 2 2 371.441 0.848 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCCO ZINC001131076039 1202859869 /nfs/dbraw/zinc/85/98/69/1202859869.db2.gz FSBPGLTWRMZTFT-KLHDSHLOSA-N 2 2 372.473 0.224 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108214 1202864210 /nfs/dbraw/zinc/86/42/10/1202864210.db2.gz NBFGDXWQQZADBE-HZPDHXFCSA-N 2 2 360.462 0.317 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000747471242 1202878051 /nfs/dbraw/zinc/87/80/51/1202878051.db2.gz UEDWVFNWYASKQN-HNNXBMFYSA-N 2 2 368.478 0.478 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000747471242 1202878052 /nfs/dbraw/zinc/87/80/52/1202878052.db2.gz UEDWVFNWYASKQN-HNNXBMFYSA-N 2 2 368.478 0.478 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)nc(C2CC2)[nH+]1 ZINC001090500189 1202891705 /nfs/dbraw/zinc/89/17/05/1202891705.db2.gz QYUDIAFLTDHMLO-INMHGKMJSA-N 2 2 359.474 0.668 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131585126 1202917939 /nfs/dbraw/zinc/91/79/39/1202917939.db2.gz OEONVGLUHKCRLA-QEORTHHSSA-N 2 2 363.462 0.072 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131612276 1202921154 /nfs/dbraw/zinc/92/11/54/1202921154.db2.gz FPMCVBKKOSDUPL-QAPCUYQASA-N 2 2 363.462 0.005 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](O)C1 ZINC001220090502 1224755276 /nfs/dbraw/zinc/75/52/76/1224755276.db2.gz MUVMGSSZPIEIJU-OLMNPRSZSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](O)C1 ZINC001220090502 1224755283 /nfs/dbraw/zinc/75/52/83/1224755283.db2.gz MUVMGSSZPIEIJU-OLMNPRSZSA-N 2 2 358.442 0.808 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001110103251 1202974173 /nfs/dbraw/zinc/97/41/73/1202974173.db2.gz LHSYJIICVRMYSW-PMPSAXMXSA-N 2 2 362.478 0.621 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001110103251 1202974186 /nfs/dbraw/zinc/97/41/86/1202974186.db2.gz LHSYJIICVRMYSW-PMPSAXMXSA-N 2 2 362.478 0.621 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086733099 1203059361 /nfs/dbraw/zinc/05/93/61/1203059361.db2.gz TURQAOFFWQHIHE-WCQYABFASA-N 2 2 354.418 0.775 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001086737295 1203063201 /nfs/dbraw/zinc/06/32/01/1203063201.db2.gz FDGOKBUTZADZTJ-HRCADAONSA-N 2 2 357.462 0.612 20 0 FCADLP COc1ccc(C)cc1C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105628 1224765256 /nfs/dbraw/zinc/76/52/56/1224765256.db2.gz DWDSEDOZRVFBME-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP COc1ccc(C)cc1C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105628 1224765262 /nfs/dbraw/zinc/76/52/62/1224765262.db2.gz DWDSEDOZRVFBME-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1)N1CCC1 ZINC001086799874 1203099779 /nfs/dbraw/zinc/09/97/79/1203099779.db2.gz JVPCDALDPQBZFA-RRFJBIMHSA-N 2 2 359.474 0.936 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001086806568 1203107528 /nfs/dbraw/zinc/10/75/28/1203107528.db2.gz BHBVQVHJKRLDNZ-ZJIFWQFVSA-N 2 2 359.474 0.630 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817785199 1203117199 /nfs/dbraw/zinc/11/71/99/1203117199.db2.gz IITQXYTVBBRJOV-INIZCTEOSA-N 2 2 370.457 0.745 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4C[C@]45CC[NH2+]C5)n3)cn2)CC1 ZINC000822973330 1203243246 /nfs/dbraw/zinc/24/32/46/1203243246.db2.gz UEIDMRVSLMFSTJ-KUHUBIRLSA-N 2 2 368.441 0.986 20 0 FCADLP COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136737322 1203260990 /nfs/dbraw/zinc/26/09/90/1203260990.db2.gz DJMMIKYVCFWNMV-LBPRGKRZSA-N 2 2 365.434 0.137 20 0 FCADLP COc1c(=O)[nH]c(=O)[nH]c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136737322 1203260996 /nfs/dbraw/zinc/26/09/96/1203260996.db2.gz DJMMIKYVCFWNMV-LBPRGKRZSA-N 2 2 365.434 0.137 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[N@H+](Cc2ccccc2)C1 ZINC001220228253 1224809597 /nfs/dbraw/zinc/80/95/97/1224809597.db2.gz GFEAMKDWLIHPAL-YAJHFMINSA-N 3 2 372.469 0.142 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228253 1224809599 /nfs/dbraw/zinc/80/95/99/1224809599.db2.gz GFEAMKDWLIHPAL-YAJHFMINSA-N 3 2 372.469 0.142 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229253 1224810342 /nfs/dbraw/zinc/81/03/42/1224810342.db2.gz UXDAUHVYUOXBOB-BMFZPTHFSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229253 1224810343 /nfs/dbraw/zinc/81/03/43/1224810343.db2.gz UXDAUHVYUOXBOB-BMFZPTHFSA-N 2 2 368.522 0.183 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230300 1224811032 /nfs/dbraw/zinc/81/10/32/1224811032.db2.gz ACQJMFGFIHXFOA-SJORKVTESA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230300 1224811034 /nfs/dbraw/zinc/81/10/34/1224811034.db2.gz ACQJMFGFIHXFOA-SJORKVTESA-N 2 2 363.506 0.776 20 0 FCADLP COCCn1c[nH+]cc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220275244 1224819593 /nfs/dbraw/zinc/81/95/93/1224819593.db2.gz WIZRJZYNNCAAKB-OXQOHEQNSA-N 2 2 369.469 0.872 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091121584 1204522783 /nfs/dbraw/zinc/52/27/83/1204522783.db2.gz IAOCKEWPOYFRRJ-MSOLQXFVSA-N 2 2 369.469 0.891 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+](C)Cc3ccccc3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091121584 1204522785 /nfs/dbraw/zinc/52/27/85/1204522785.db2.gz IAOCKEWPOYFRRJ-MSOLQXFVSA-N 2 2 369.469 0.891 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929791 1204673493 /nfs/dbraw/zinc/67/34/93/1204673493.db2.gz ZWLKAWTWNUISDI-OKZBNKHCSA-N 2 2 366.458 0.520 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929791 1204673496 /nfs/dbraw/zinc/67/34/96/1204673496.db2.gz ZWLKAWTWNUISDI-OKZBNKHCSA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929791 1204673502 /nfs/dbraw/zinc/67/35/02/1204673502.db2.gz ZWLKAWTWNUISDI-OKZBNKHCSA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000846929791 1204673505 /nfs/dbraw/zinc/67/35/05/1204673505.db2.gz ZWLKAWTWNUISDI-OKZBNKHCSA-N 2 2 366.458 0.520 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905270 1204673591 /nfs/dbraw/zinc/67/35/91/1204673591.db2.gz ZRYAQNWTKCOULY-SJORKVTESA-N 2 2 370.538 0.926 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905270 1204673596 /nfs/dbraw/zinc/67/35/96/1204673596.db2.gz ZRYAQNWTKCOULY-SJORKVTESA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905270 1204673602 /nfs/dbraw/zinc/67/36/02/1204673602.db2.gz ZRYAQNWTKCOULY-SJORKVTESA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905270 1204673607 /nfs/dbraw/zinc/67/36/07/1204673607.db2.gz ZRYAQNWTKCOULY-SJORKVTESA-N 2 2 370.538 0.926 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H]1O)CC(C)(C)C ZINC001220359237 1224843837 /nfs/dbraw/zinc/84/38/37/1224843837.db2.gz GBONUXOCFYBROX-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H]1O)CC(C)(C)C ZINC001220359237 1224843838 /nfs/dbraw/zinc/84/38/38/1224843838.db2.gz GBONUXOCFYBROX-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O)CC(C)(C)C ZINC001220359237 1224843839 /nfs/dbraw/zinc/84/38/39/1224843839.db2.gz GBONUXOCFYBROX-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O)CC(C)(C)C ZINC001220359237 1224843842 /nfs/dbraw/zinc/84/38/42/1224843842.db2.gz GBONUXOCFYBROX-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530799 1204701195 /nfs/dbraw/zinc/70/11/95/1204701195.db2.gz HHYUXBGAUNJCQW-VKJFTORMSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530799 1204701198 /nfs/dbraw/zinc/70/11/98/1204701198.db2.gz HHYUXBGAUNJCQW-VKJFTORMSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091530799 1204701200 /nfs/dbraw/zinc/70/12/00/1204701200.db2.gz HHYUXBGAUNJCQW-VKJFTORMSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530799 1204701205 /nfs/dbraw/zinc/70/12/05/1204701205.db2.gz HHYUXBGAUNJCQW-VKJFTORMSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369777 1224846284 /nfs/dbraw/zinc/84/62/84/1224846284.db2.gz QOWORJHKOGXXOO-OAGGEKHMSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369777 1224846287 /nfs/dbraw/zinc/84/62/87/1224846287.db2.gz QOWORJHKOGXXOO-OAGGEKHMSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369777 1224846291 /nfs/dbraw/zinc/84/62/91/1224846291.db2.gz QOWORJHKOGXXOO-OAGGEKHMSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369777 1224846295 /nfs/dbraw/zinc/84/62/95/1224846295.db2.gz QOWORJHKOGXXOO-OAGGEKHMSA-N 2 2 370.538 0.381 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635814 1204791259 /nfs/dbraw/zinc/79/12/59/1204791259.db2.gz XQKCPXFYSQCSQC-VCBZYWHSSA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635814 1204791262 /nfs/dbraw/zinc/79/12/62/1204791262.db2.gz XQKCPXFYSQCSQC-VCBZYWHSSA-N 2 2 359.474 0.743 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774560 1204807386 /nfs/dbraw/zinc/80/73/86/1204807386.db2.gz XPEQXVZVCLRBDO-HZPDHXFCSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774560 1204807388 /nfs/dbraw/zinc/80/73/88/1204807388.db2.gz XPEQXVZVCLRBDO-HZPDHXFCSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774560 1204807389 /nfs/dbraw/zinc/80/73/89/1204807389.db2.gz XPEQXVZVCLRBDO-HZPDHXFCSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774560 1204807390 /nfs/dbraw/zinc/80/73/90/1204807390.db2.gz XPEQXVZVCLRBDO-HZPDHXFCSA-N 2 2 366.506 0.107 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677259 1204817863 /nfs/dbraw/zinc/81/78/63/1204817863.db2.gz OKLREBIHVYMPNG-MDZRGWNJSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677259 1204817865 /nfs/dbraw/zinc/81/78/65/1204817865.db2.gz OKLREBIHVYMPNG-MDZRGWNJSA-N 2 2 358.490 0.437 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)C1 ZINC001086880714 1204855993 /nfs/dbraw/zinc/85/59/93/1204855993.db2.gz LSORNUBWJKRODV-BBWFWOEESA-N 2 2 361.490 0.880 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)C1 ZINC001086880714 1204855994 /nfs/dbraw/zinc/85/59/94/1204855994.db2.gz LSORNUBWJKRODV-BBWFWOEESA-N 2 2 361.490 0.880 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C(=O)NC(C)(C)C)c1 ZINC001273455707 1204860999 /nfs/dbraw/zinc/86/09/99/1204860999.db2.gz XICSUJDETKQVCL-RRFJBIMHSA-N 2 2 361.490 0.829 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C(=O)NC(C)(C)C)c1 ZINC001273455707 1204861000 /nfs/dbraw/zinc/86/10/00/1204861000.db2.gz XICSUJDETKQVCL-RRFJBIMHSA-N 2 2 361.490 0.829 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001086971105 1204870637 /nfs/dbraw/zinc/87/06/37/1204870637.db2.gz XRHOFFNZPUUNJN-BBWFWOEESA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001086971105 1204870639 /nfs/dbraw/zinc/87/06/39/1204870639.db2.gz XRHOFFNZPUUNJN-BBWFWOEESA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2cncs2)cn1 ZINC001086999638 1204888822 /nfs/dbraw/zinc/88/88/22/1204888822.db2.gz OPHTVVMYPBCLAC-JKSUJKDBSA-N 2 2 371.470 0.927 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087010763 1204898210 /nfs/dbraw/zinc/89/82/10/1204898210.db2.gz PXMFDCYJCOLDDN-KSZLIROESA-N 2 2 361.490 0.435 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087049709 1204926347 /nfs/dbraw/zinc/92/63/47/1204926347.db2.gz WHGGURSKSIICNA-HUUCEWRRSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087060395 1204945339 /nfs/dbraw/zinc/94/53/39/1204945339.db2.gz DOLGDLZLULQNLL-YFHUEUNASA-N 2 2 372.473 0.900 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087060395 1204945342 /nfs/dbraw/zinc/94/53/42/1204945342.db2.gz DOLGDLZLULQNLL-YFHUEUNASA-N 2 2 372.473 0.900 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087059306 1204968298 /nfs/dbraw/zinc/96/82/98/1204968298.db2.gz YLBHYJUCJUXXTA-VNQPRFMTSA-N 2 2 363.462 0.074 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087059306 1204968306 /nfs/dbraw/zinc/96/83/06/1204968306.db2.gz YLBHYJUCJUXXTA-VNQPRFMTSA-N 2 2 363.462 0.074 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1nc(C)no1 ZINC001087088066 1204976877 /nfs/dbraw/zinc/97/68/77/1204976877.db2.gz IPJCWORNJHFBFD-NJZAAPMLSA-N 2 2 362.434 0.858 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCN(CC)C1=O ZINC001087088178 1204976902 /nfs/dbraw/zinc/97/69/02/1204976902.db2.gz MKKWOCUFOALPDN-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087094008 1204986742 /nfs/dbraw/zinc/98/67/42/1204986742.db2.gz NOQOAZRJTUSRRS-HZPDHXFCSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087093878 1204986757 /nfs/dbraw/zinc/98/67/57/1204986757.db2.gz HOJFVTKEADTKOS-GDBMZVCRSA-N 2 2 360.462 0.822 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087096714 1205004685 /nfs/dbraw/zinc/00/46/85/1205004685.db2.gz YXCGWAQNVYFJRY-RHSMWYFYSA-N 2 2 361.446 0.912 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnoc1C ZINC001087096902 1205004780 /nfs/dbraw/zinc/00/47/80/1205004780.db2.gz KFELGZOOXTXDEW-NVXWUHKLSA-N 2 2 361.446 0.912 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091797013 1205016609 /nfs/dbraw/zinc/01/66/09/1205016609.db2.gz DFZUUOTXVIPEFW-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091797013 1205016612 /nfs/dbraw/zinc/01/66/12/1205016612.db2.gz DFZUUOTXVIPEFW-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001091848597 1205036474 /nfs/dbraw/zinc/03/64/74/1205036474.db2.gz CZIWBBZIYJNFGI-TYILLQQXSA-N 2 2 353.426 0.617 20 0 FCADLP C[C@]12CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091848597 1205036477 /nfs/dbraw/zinc/03/64/77/1205036477.db2.gz CZIWBBZIYJNFGI-TYILLQQXSA-N 2 2 353.426 0.617 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001091875445 1205061404 /nfs/dbraw/zinc/06/14/04/1205061404.db2.gz HNLVKCGVUGKSGC-CLCXKQKWSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001091875445 1205061405 /nfs/dbraw/zinc/06/14/05/1205061405.db2.gz HNLVKCGVUGKSGC-CLCXKQKWSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001092003349 1205100363 /nfs/dbraw/zinc/10/03/63/1205100363.db2.gz LKGGJKFJJODDHO-RCDCFZSISA-N 2 2 371.485 0.889 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001092003349 1205100365 /nfs/dbraw/zinc/10/03/65/1205100365.db2.gz LKGGJKFJJODDHO-RCDCFZSISA-N 2 2 371.485 0.889 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015293 1205114737 /nfs/dbraw/zinc/11/47/37/1205114737.db2.gz MXOGSNNQUQHEKT-KDOFPFPSSA-N 2 2 361.494 0.222 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015293 1205114738 /nfs/dbraw/zinc/11/47/38/1205114738.db2.gz MXOGSNNQUQHEKT-KDOFPFPSSA-N 2 2 361.494 0.222 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015293 1205114739 /nfs/dbraw/zinc/11/47/39/1205114739.db2.gz MXOGSNNQUQHEKT-KDOFPFPSSA-N 2 2 361.494 0.222 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015293 1205114740 /nfs/dbraw/zinc/11/47/40/1205114740.db2.gz MXOGSNNQUQHEKT-KDOFPFPSSA-N 2 2 361.494 0.222 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092026213 1205122231 /nfs/dbraw/zinc/12/22/31/1205122231.db2.gz FUPUFKWLYDLVEV-NLDJYOPPSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092026213 1205122235 /nfs/dbraw/zinc/12/22/35/1205122235.db2.gz FUPUFKWLYDLVEV-NLDJYOPPSA-N 2 2 371.485 0.536 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092052950 1205126103 /nfs/dbraw/zinc/12/61/03/1205126103.db2.gz SSJBARKQZYLYCV-KDOFPFPSSA-N 2 2 357.462 0.853 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092052950 1205126105 /nfs/dbraw/zinc/12/61/05/1205126105.db2.gz SSJBARKQZYLYCV-KDOFPFPSSA-N 2 2 357.462 0.853 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086755 1205139161 /nfs/dbraw/zinc/13/91/61/1205139161.db2.gz RZVZRLJOYJSKKT-RKVPGOIHSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086755 1205139168 /nfs/dbraw/zinc/13/91/68/1205139168.db2.gz RZVZRLJOYJSKKT-RKVPGOIHSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086755 1205139175 /nfs/dbraw/zinc/13/91/75/1205139175.db2.gz RZVZRLJOYJSKKT-RKVPGOIHSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086755 1205139180 /nfs/dbraw/zinc/13/91/80/1205139180.db2.gz RZVZRLJOYJSKKT-RKVPGOIHSA-N 2 2 357.462 0.660 20 0 FCADLP Cn1ccnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101807 1205158484 /nfs/dbraw/zinc/15/84/84/1205158484.db2.gz ORLSHZGHEPGURT-APWZRJJASA-N 2 2 361.490 0.423 20 0 FCADLP Cn1ccnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092101807 1205158488 /nfs/dbraw/zinc/15/84/88/1205158488.db2.gz ORLSHZGHEPGURT-APWZRJJASA-N 2 2 361.490 0.423 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092200747 1205195368 /nfs/dbraw/zinc/19/53/68/1205195368.db2.gz OIQOMPXSAIRYCS-TYILLQQXSA-N 2 2 359.474 0.698 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092200747 1205195371 /nfs/dbraw/zinc/19/53/71/1205195371.db2.gz OIQOMPXSAIRYCS-TYILLQQXSA-N 2 2 359.474 0.698 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203112 1205197856 /nfs/dbraw/zinc/19/78/56/1205197856.db2.gz DGULXNOZQHIZCT-CPUCHLNUSA-N 2 2 359.478 0.147 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203112 1205197861 /nfs/dbraw/zinc/19/78/61/1205197861.db2.gz DGULXNOZQHIZCT-CPUCHLNUSA-N 2 2 359.478 0.147 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092232597 1205204818 /nfs/dbraw/zinc/20/48/18/1205204818.db2.gz TZXQTSGPTPPJGO-OGWOLHLISA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092232597 1205204824 /nfs/dbraw/zinc/20/48/24/1205204824.db2.gz TZXQTSGPTPPJGO-OGWOLHLISA-N 2 2 359.474 0.662 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232380 1205205325 /nfs/dbraw/zinc/20/53/25/1205205325.db2.gz JYOQAELMSGRKMY-ALKREAHSSA-N 2 2 359.474 0.662 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232380 1205205328 /nfs/dbraw/zinc/20/53/28/1205205328.db2.gz JYOQAELMSGRKMY-ALKREAHSSA-N 2 2 359.474 0.662 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)nn1 ZINC001092278222 1205224244 /nfs/dbraw/zinc/22/42/44/1205224244.db2.gz LALJFSJBDFVUGV-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)nn1 ZINC001092278222 1205224251 /nfs/dbraw/zinc/22/42/51/1205224251.db2.gz LALJFSJBDFVUGV-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301482 1205234832 /nfs/dbraw/zinc/23/48/32/1205234832.db2.gz KDFNERLEPDAXHH-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301482 1205234837 /nfs/dbraw/zinc/23/48/37/1205234837.db2.gz KDFNERLEPDAXHH-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301482 1205234840 /nfs/dbraw/zinc/23/48/40/1205234840.db2.gz KDFNERLEPDAXHH-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301482 1205234844 /nfs/dbraw/zinc/23/48/44/1205234844.db2.gz KDFNERLEPDAXHH-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304891 1205236545 /nfs/dbraw/zinc/23/65/45/1205236545.db2.gz QVCSJBLCFDGRHG-SUMDDJOVSA-N 2 2 359.474 0.211 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304891 1205236550 /nfs/dbraw/zinc/23/65/50/1205236550.db2.gz QVCSJBLCFDGRHG-SUMDDJOVSA-N 2 2 359.474 0.211 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092373175 1205276375 /nfs/dbraw/zinc/27/63/75/1205276375.db2.gz TYCRKPSRAZAMQT-ZIAGYGMSSA-N 2 2 359.478 0.892 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092373175 1205276378 /nfs/dbraw/zinc/27/63/78/1205276378.db2.gz TYCRKPSRAZAMQT-ZIAGYGMSSA-N 2 2 359.478 0.892 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092510816 1205299422 /nfs/dbraw/zinc/29/94/22/1205299422.db2.gz ZVYBKUMAZMEWES-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092510816 1205299426 /nfs/dbraw/zinc/29/94/26/1205299426.db2.gz ZVYBKUMAZMEWES-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092510816 1205299430 /nfs/dbraw/zinc/29/94/30/1205299430.db2.gz ZVYBKUMAZMEWES-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092510816 1205299436 /nfs/dbraw/zinc/29/94/36/1205299436.db2.gz ZVYBKUMAZMEWES-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725386 1205343724 /nfs/dbraw/zinc/34/37/24/1205343724.db2.gz HESVYIXWIMESLM-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725386 1205343726 /nfs/dbraw/zinc/34/37/26/1205343726.db2.gz HESVYIXWIMESLM-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725386 1205343728 /nfs/dbraw/zinc/34/37/28/1205343728.db2.gz HESVYIXWIMESLM-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725386 1205343730 /nfs/dbraw/zinc/34/37/30/1205343730.db2.gz HESVYIXWIMESLM-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001092747585 1205350651 /nfs/dbraw/zinc/35/06/51/1205350651.db2.gz DSMCNJFDRPIWJS-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001092747585 1205350653 /nfs/dbraw/zinc/35/06/53/1205350653.db2.gz DSMCNJFDRPIWJS-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092823916 1205358194 /nfs/dbraw/zinc/35/81/94/1205358194.db2.gz AINIBOJKBFDAGO-HUUCEWRRSA-N 2 2 370.457 0.657 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092823916 1205358196 /nfs/dbraw/zinc/35/81/96/1205358196.db2.gz AINIBOJKBFDAGO-HUUCEWRRSA-N 2 2 370.457 0.657 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001220489854 1224889742 /nfs/dbraw/zinc/88/97/42/1224889742.db2.gz JNSYGOXDUUWQGV-JONQDZQNSA-N 2 2 355.446 0.381 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220489854 1224889746 /nfs/dbraw/zinc/88/97/46/1224889746.db2.gz JNSYGOXDUUWQGV-JONQDZQNSA-N 2 2 355.446 0.381 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910933 1205940823 /nfs/dbraw/zinc/94/08/23/1205940823.db2.gz LHIICVQGHRILFT-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910933 1205940825 /nfs/dbraw/zinc/94/08/25/1205940825.db2.gz LHIICVQGHRILFT-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910933 1205940828 /nfs/dbraw/zinc/94/08/28/1205940828.db2.gz LHIICVQGHRILFT-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910933 1205940833 /nfs/dbraw/zinc/94/08/33/1205940833.db2.gz LHIICVQGHRILFT-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910990 1205941225 /nfs/dbraw/zinc/94/12/25/1205941225.db2.gz MMQWDCDXHVNIRS-ZACQAIPSSA-N 2 2 361.490 0.770 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910990 1205941230 /nfs/dbraw/zinc/94/12/30/1205941230.db2.gz MMQWDCDXHVNIRS-ZACQAIPSSA-N 2 2 361.490 0.770 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910990 1205941235 /nfs/dbraw/zinc/94/12/35/1205941235.db2.gz MMQWDCDXHVNIRS-ZACQAIPSSA-N 2 2 361.490 0.770 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910990 1205941239 /nfs/dbraw/zinc/94/12/39/1205941239.db2.gz MMQWDCDXHVNIRS-ZACQAIPSSA-N 2 2 361.490 0.770 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnn(C)n3)C[C@H]1C)C2 ZINC001092966291 1205968047 /nfs/dbraw/zinc/96/80/47/1205968047.db2.gz YPMMTMSQLBMRAI-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnn(C)n3)C[C@H]1C)C2 ZINC001092966291 1205968051 /nfs/dbraw/zinc/96/80/51/1205968051.db2.gz YPMMTMSQLBMRAI-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001093041002 1206001704 /nfs/dbraw/zinc/00/17/04/1206001704.db2.gz TXQWWSLCXKTWPR-YUELXQCFSA-N 2 2 357.462 0.931 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213628 1206060073 /nfs/dbraw/zinc/06/00/73/1206060073.db2.gz DBEYPVIUOPEPGJ-KYJSFNMBSA-N 2 2 363.506 0.633 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213628 1206060076 /nfs/dbraw/zinc/06/00/76/1206060076.db2.gz DBEYPVIUOPEPGJ-KYJSFNMBSA-N 2 2 363.506 0.633 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213628 1206060079 /nfs/dbraw/zinc/06/00/79/1206060079.db2.gz DBEYPVIUOPEPGJ-KYJSFNMBSA-N 2 2 363.506 0.633 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213628 1206060084 /nfs/dbraw/zinc/06/00/84/1206060084.db2.gz DBEYPVIUOPEPGJ-KYJSFNMBSA-N 2 2 363.506 0.633 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213629 1206060708 /nfs/dbraw/zinc/06/07/08/1206060708.db2.gz DBEYPVIUOPEPGJ-QGPMSJSTSA-N 2 2 363.506 0.633 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213629 1206060711 /nfs/dbraw/zinc/06/07/11/1206060711.db2.gz DBEYPVIUOPEPGJ-QGPMSJSTSA-N 2 2 363.506 0.633 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213629 1206060713 /nfs/dbraw/zinc/06/07/13/1206060713.db2.gz DBEYPVIUOPEPGJ-QGPMSJSTSA-N 2 2 363.506 0.633 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)C1 ZINC001093213629 1206060716 /nfs/dbraw/zinc/06/07/16/1206060716.db2.gz DBEYPVIUOPEPGJ-QGPMSJSTSA-N 2 2 363.506 0.633 20 0 FCADLP CC(C)N1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093291440 1206074188 /nfs/dbraw/zinc/07/41/88/1206074188.db2.gz JKKAAEKLDZNATC-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH+]cn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093476502 1206087430 /nfs/dbraw/zinc/08/74/30/1206087430.db2.gz BWXLBNICODBJNZ-ZAWLATJESA-N 2 2 364.490 0.311 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH+]cn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093476500 1206087610 /nfs/dbraw/zinc/08/76/10/1206087610.db2.gz BWXLBNICODBJNZ-PSBWJHGTSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093813285 1206133270 /nfs/dbraw/zinc/13/32/70/1206133270.db2.gz ASSOJZYKFIHPTO-FMKPAKJESA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093813285 1206133277 /nfs/dbraw/zinc/13/32/77/1206133277.db2.gz ASSOJZYKFIHPTO-FMKPAKJESA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093861478 1206136728 /nfs/dbraw/zinc/13/67/28/1206136728.db2.gz WJQTTYRMCNOZPZ-DGCLKSJQSA-N 2 2 354.418 0.584 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)[nH]1 ZINC001093870838 1206138053 /nfs/dbraw/zinc/13/80/53/1206138053.db2.gz BLFAVNZOLKSYHH-BPLDGKMQSA-N 2 2 357.462 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093871861 1206138591 /nfs/dbraw/zinc/13/85/91/1206138591.db2.gz XLDTYOKNFRVCNF-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093873309 1206139040 /nfs/dbraw/zinc/13/90/40/1206139040.db2.gz JRFOTTFJNMYSMQ-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001093873157 1206139371 /nfs/dbraw/zinc/13/93/71/1206139371.db2.gz IHHDRBPRMCLUGT-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093922734 1206149795 /nfs/dbraw/zinc/14/97/95/1206149795.db2.gz CNUOIBIIPQAAHB-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093951986 1206157016 /nfs/dbraw/zinc/15/70/16/1206157016.db2.gz YUFMSGMIJHTPML-ZIAGYGMSSA-N 2 2 358.450 0.479 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094072719 1206179683 /nfs/dbraw/zinc/17/96/83/1206179683.db2.gz SFNULIPEKAHSKU-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001094166449 1206198053 /nfs/dbraw/zinc/19/80/53/1206198053.db2.gz COIQFBJICORBIW-KFWWJZLASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001094166683 1206198397 /nfs/dbraw/zinc/19/83/97/1206198397.db2.gz KXSPAZFUKMLGOZ-HUUCEWRRSA-N 2 2 356.474 0.990 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001094254780 1206212817 /nfs/dbraw/zinc/21/28/17/1206212817.db2.gz LKSFSELSIMEDIZ-ZIAGYGMSSA-N 2 2 359.430 0.828 20 0 FCADLP Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4CCC[NH+]4C)CCC[C@@H]23)nc1=O ZINC001094379948 1206222227 /nfs/dbraw/zinc/22/22/27/1206222227.db2.gz HKFQHTBRWMQLDU-PMUMKWKESA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H]4CCC[NH+]4C)CCC[C@@H]23)nc1=O ZINC001094379948 1206222228 /nfs/dbraw/zinc/22/22/28/1206222228.db2.gz HKFQHTBRWMQLDU-PMUMKWKESA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4CCC[N@@H+]4C)CCC[C@@H]23)nc1=O ZINC001094379948 1206222229 /nfs/dbraw/zinc/22/22/29/1206222229.db2.gz HKFQHTBRWMQLDU-PMUMKWKESA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4CCC[N@H+]4C)CCC[C@@H]23)nc1=O ZINC001094379948 1206222230 /nfs/dbraw/zinc/22/22/30/1206222230.db2.gz HKFQHTBRWMQLDU-PMUMKWKESA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001110161589 1206243807 /nfs/dbraw/zinc/24/38/07/1206243807.db2.gz KZHYVBCTOLIIET-IKGGRYGDSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001110161589 1206243809 /nfs/dbraw/zinc/24/38/09/1206243809.db2.gz KZHYVBCTOLIIET-IKGGRYGDSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001110161589 1206243812 /nfs/dbraw/zinc/24/38/12/1206243812.db2.gz KZHYVBCTOLIIET-IKGGRYGDSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001110161589 1206243818 /nfs/dbraw/zinc/24/38/18/1206243818.db2.gz KZHYVBCTOLIIET-IKGGRYGDSA-N 2 2 366.506 0.343 20 0 FCADLP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624118 1206249991 /nfs/dbraw/zinc/24/99/91/1206249991.db2.gz NDEVFCGYZGPDDO-UHFFFAOYSA-N 2 2 370.494 0.023 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172014927 1206253830 /nfs/dbraw/zinc/25/38/30/1206253830.db2.gz NSRXJVBLECJFTC-GOSISDBHSA-N 2 2 372.517 0.600 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172014927 1206253835 /nfs/dbraw/zinc/25/38/35/1206253835.db2.gz NSRXJVBLECJFTC-GOSISDBHSA-N 2 2 372.517 0.600 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568426 1224938534 /nfs/dbraw/zinc/93/85/34/1224938534.db2.gz MRSCLLXISKDIEG-BBWFWOEESA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568426 1224938540 /nfs/dbraw/zinc/93/85/40/1224938540.db2.gz MRSCLLXISKDIEG-BBWFWOEESA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568426 1224938548 /nfs/dbraw/zinc/93/85/48/1224938548.db2.gz MRSCLLXISKDIEG-BBWFWOEESA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568426 1224938556 /nfs/dbraw/zinc/93/85/56/1224938556.db2.gz MRSCLLXISKDIEG-BBWFWOEESA-N 2 2 370.538 0.575 20 0 FCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223480 1206259642 /nfs/dbraw/zinc/25/96/42/1206259642.db2.gz XVPWVBGFIGAFJF-SXPAGVDESA-N 2 2 361.446 0.112 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110193060 1206311674 /nfs/dbraw/zinc/31/16/74/1206311674.db2.gz NWOVJHVTEVUPNL-QPSCCSFWSA-N 2 2 359.430 0.190 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110193060 1206311678 /nfs/dbraw/zinc/31/16/78/1206311678.db2.gz NWOVJHVTEVUPNL-QPSCCSFWSA-N 2 2 359.430 0.190 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220584914 1224948956 /nfs/dbraw/zinc/94/89/56/1224948956.db2.gz OKCCVLKOFAMBNL-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220584914 1224948966 /nfs/dbraw/zinc/94/89/66/1224948966.db2.gz OKCCVLKOFAMBNL-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3cn(C)c[nH+]3)CC2)CC1 ZINC001179013966 1206370797 /nfs/dbraw/zinc/37/07/97/1206370797.db2.gz JPIWRLJCXHSDSM-UHFFFAOYSA-N 2 2 361.490 0.802 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220584824 1224950614 /nfs/dbraw/zinc/95/06/14/1224950614.db2.gz LDQLWEIWWRZIDH-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220584824 1224950628 /nfs/dbraw/zinc/95/06/28/1224950628.db2.gz LDQLWEIWWRZIDH-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CCn1cncn1 ZINC001181781360 1206414636 /nfs/dbraw/zinc/41/46/36/1206414636.db2.gz NUSDVQPOWJWKGZ-ATNYBXOESA-N 2 2 357.462 0.879 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCn1cncn1 ZINC001181781360 1206414637 /nfs/dbraw/zinc/41/46/37/1206414637.db2.gz NUSDVQPOWJWKGZ-ATNYBXOESA-N 2 2 357.462 0.879 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]CC(=O)N(C)C ZINC001182669061 1206440904 /nfs/dbraw/zinc/44/09/04/1206440904.db2.gz CUKIVZVXMLIJPJ-DEXNDLTESA-N 2 2 361.490 0.686 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]CCn1cncn1 ZINC001182669043 1206440946 /nfs/dbraw/zinc/44/09/46/1206440946.db2.gz BSUSUXAVKSKAOG-YKTARERQSA-N 2 2 371.489 0.890 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001182654241 1206441653 /nfs/dbraw/zinc/44/16/53/1206441653.db2.gz GWRAZBXFVKDKKY-QBPKDAKJSA-N 2 2 362.474 0.352 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001185231509 1206475953 /nfs/dbraw/zinc/47/59/53/1206475953.db2.gz AZSMVVXVIUYHMG-SFHVURJKSA-N 2 2 363.502 0.785 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001185231509 1206475954 /nfs/dbraw/zinc/47/59/54/1206475954.db2.gz AZSMVVXVIUYHMG-SFHVURJKSA-N 2 2 363.502 0.785 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001185250596 1206476945 /nfs/dbraw/zinc/47/69/45/1206476945.db2.gz HPGFNOODBCWJRG-QGZVFWFLSA-N 2 2 356.474 0.453 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001185250596 1206476946 /nfs/dbraw/zinc/47/69/46/1206476946.db2.gz HPGFNOODBCWJRG-QGZVFWFLSA-N 2 2 356.474 0.453 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001186043794 1206492045 /nfs/dbraw/zinc/49/20/45/1206492045.db2.gz AQFCHCRUUVWFJI-LBPRGKRZSA-N 2 2 373.379 0.647 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001186043794 1206492047 /nfs/dbraw/zinc/49/20/47/1206492047.db2.gz AQFCHCRUUVWFJI-LBPRGKRZSA-N 2 2 373.379 0.647 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@H]2CC[NH+]3Cc2cccnc2)C1 ZINC001186107444 1206493382 /nfs/dbraw/zinc/49/33/82/1206493382.db2.gz SVWJUBNHAGQWTN-OKZBNKHCSA-N 2 2 372.469 0.752 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)C1 ZINC001186107444 1206493384 /nfs/dbraw/zinc/49/33/84/1206493384.db2.gz SVWJUBNHAGQWTN-OKZBNKHCSA-N 2 2 372.469 0.752 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)C1 ZINC001186107444 1206493385 /nfs/dbraw/zinc/49/33/85/1206493385.db2.gz SVWJUBNHAGQWTN-OKZBNKHCSA-N 2 2 372.469 0.752 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186402249 1206496652 /nfs/dbraw/zinc/49/66/52/1206496652.db2.gz JNDUGVZZBIUEJZ-ARFHVFGLSA-N 2 2 362.474 0.740 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H](C[NH2+]CCCO)C2(C1)CCOCC2 ZINC001186402249 1206496654 /nfs/dbraw/zinc/49/66/54/1206496654.db2.gz JNDUGVZZBIUEJZ-ARFHVFGLSA-N 2 2 362.474 0.740 20 0 FCADLP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000775049392 1206505482 /nfs/dbraw/zinc/50/54/82/1206505482.db2.gz XZTIBRIYINZIMH-HNNXBMFYSA-N 2 2 370.494 0.424 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001110385959 1206510595 /nfs/dbraw/zinc/51/05/95/1206510595.db2.gz BYFJLASOUUQRKG-WCVJEAGWSA-N 2 2 365.522 0.900 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001110385959 1206510597 /nfs/dbraw/zinc/51/05/97/1206510597.db2.gz BYFJLASOUUQRKG-WCVJEAGWSA-N 2 2 365.522 0.900 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)(C)C ZINC001110385959 1206510602 /nfs/dbraw/zinc/51/06/02/1206510602.db2.gz BYFJLASOUUQRKG-WCVJEAGWSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857755 1207395680 /nfs/dbraw/zinc/39/56/80/1207395680.db2.gz QGYSUNWSTYUULN-RCCFBDPRSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857755 1207395684 /nfs/dbraw/zinc/39/56/84/1207395684.db2.gz QGYSUNWSTYUULN-RCCFBDPRSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857755 1207395690 /nfs/dbraw/zinc/39/56/90/1207395690.db2.gz QGYSUNWSTYUULN-RCCFBDPRSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857755 1207395693 /nfs/dbraw/zinc/39/56/93/1207395693.db2.gz QGYSUNWSTYUULN-RCCFBDPRSA-N 2 2 362.518 0.918 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001188561471 1207463618 /nfs/dbraw/zinc/46/36/18/1207463618.db2.gz HPYAQEVRUHNUAA-YESZJQIVSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001188561471 1207463621 /nfs/dbraw/zinc/46/36/21/1207463621.db2.gz HPYAQEVRUHNUAA-YESZJQIVSA-N 2 2 361.490 0.885 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188819128 1207482888 /nfs/dbraw/zinc/48/28/88/1207482888.db2.gz SNCGNESDZLUPMW-OKZBNKHCSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188819128 1207482892 /nfs/dbraw/zinc/48/28/92/1207482892.db2.gz SNCGNESDZLUPMW-OKZBNKHCSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188819128 1207482897 /nfs/dbraw/zinc/48/28/97/1207482897.db2.gz SNCGNESDZLUPMW-OKZBNKHCSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188819128 1207482904 /nfs/dbraw/zinc/48/29/04/1207482904.db2.gz SNCGNESDZLUPMW-OKZBNKHCSA-N 2 2 362.518 0.920 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926837 1207487509 /nfs/dbraw/zinc/48/75/09/1207487509.db2.gz QDYATXOQGUSFML-BBWFWOEESA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926837 1207487512 /nfs/dbraw/zinc/48/75/12/1207487512.db2.gz QDYATXOQGUSFML-BBWFWOEESA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926837 1207487518 /nfs/dbraw/zinc/48/75/18/1207487518.db2.gz QDYATXOQGUSFML-BBWFWOEESA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926837 1207487522 /nfs/dbraw/zinc/48/75/22/1207487522.db2.gz QDYATXOQGUSFML-BBWFWOEESA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667343 1225000186 /nfs/dbraw/zinc/00/01/86/1225000186.db2.gz FFCLKEBVLYGVEM-UAGQMJEPSA-N 2 2 368.522 0.183 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667343 1225000197 /nfs/dbraw/zinc/00/01/97/1225000197.db2.gz FFCLKEBVLYGVEM-UAGQMJEPSA-N 2 2 368.522 0.183 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189167581 1207521073 /nfs/dbraw/zinc/52/10/73/1207521073.db2.gz VKPZRYFIZQXIHB-BVIKNXMNSA-N 2 2 371.485 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189167581 1207521081 /nfs/dbraw/zinc/52/10/81/1207521081.db2.gz VKPZRYFIZQXIHB-BVIKNXMNSA-N 2 2 371.485 0.583 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167560 1207521438 /nfs/dbraw/zinc/52/14/38/1207521438.db2.gz UMBCQYRCFHVQKF-BVIKNXMNSA-N 2 2 373.501 0.923 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167560 1207521448 /nfs/dbraw/zinc/52/14/48/1207521448.db2.gz UMBCQYRCFHVQKF-BVIKNXMNSA-N 2 2 373.501 0.923 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246543 1207524443 /nfs/dbraw/zinc/52/44/43/1207524443.db2.gz RMNNKXWHMPPNQI-OFQRWUPVSA-N 2 2 363.462 0.026 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246543 1207524448 /nfs/dbraw/zinc/52/44/48/1207524448.db2.gz RMNNKXWHMPPNQI-OFQRWUPVSA-N 2 2 363.462 0.026 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189471318 1207551640 /nfs/dbraw/zinc/55/16/40/1207551640.db2.gz STCLEZNBQCRGHB-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189471318 1207551645 /nfs/dbraw/zinc/55/16/45/1207551645.db2.gz STCLEZNBQCRGHB-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189439829 1207555009 /nfs/dbraw/zinc/55/50/09/1207555009.db2.gz XNDYYWUAKLOZAF-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189439829 1207555015 /nfs/dbraw/zinc/55/50/15/1207555015.db2.gz XNDYYWUAKLOZAF-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263680 1207671047 /nfs/dbraw/zinc/67/10/47/1207671047.db2.gz YLEWOENRGMOUOI-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263680 1207671051 /nfs/dbraw/zinc/67/10/51/1207671051.db2.gz YLEWOENRGMOUOI-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263680 1207671054 /nfs/dbraw/zinc/67/10/54/1207671054.db2.gz YLEWOENRGMOUOI-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263680 1207671056 /nfs/dbraw/zinc/67/10/56/1207671056.db2.gz YLEWOENRGMOUOI-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001190237398 1207672101 /nfs/dbraw/zinc/67/21/01/1207672101.db2.gz BCAMURLTLMYHBA-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001190237398 1207672108 /nfs/dbraw/zinc/67/21/08/1207672108.db2.gz BCAMURLTLMYHBA-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001190237398 1207672112 /nfs/dbraw/zinc/67/21/12/1207672112.db2.gz BCAMURLTLMYHBA-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001190237398 1207672122 /nfs/dbraw/zinc/67/21/22/1207672122.db2.gz BCAMURLTLMYHBA-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190480921 1207687031 /nfs/dbraw/zinc/68/70/31/1207687031.db2.gz MHWAUESQSXLLHC-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190480921 1207687033 /nfs/dbraw/zinc/68/70/33/1207687033.db2.gz MHWAUESQSXLLHC-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001190473793 1207692233 /nfs/dbraw/zinc/69/22/33/1207692233.db2.gz NQROMXIDOLOBKJ-JENIJYKNSA-N 2 2 370.453 0.856 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001190473793 1207692241 /nfs/dbraw/zinc/69/22/41/1207692241.db2.gz NQROMXIDOLOBKJ-JENIJYKNSA-N 2 2 370.453 0.856 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193455714 1207876611 /nfs/dbraw/zinc/87/66/11/1207876611.db2.gz FTZJSVIMEPSGRQ-ARFHVFGLSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193455714 1207876612 /nfs/dbraw/zinc/87/66/12/1207876612.db2.gz FTZJSVIMEPSGRQ-ARFHVFGLSA-N 2 2 370.469 0.887 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193737675 1207886358 /nfs/dbraw/zinc/88/63/58/1207886358.db2.gz DZLABGXRMCVWJY-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193737675 1207886359 /nfs/dbraw/zinc/88/63/59/1207886359.db2.gz DZLABGXRMCVWJY-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193737675 1207886362 /nfs/dbraw/zinc/88/63/62/1207886362.db2.gz DZLABGXRMCVWJY-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001193737675 1207886364 /nfs/dbraw/zinc/88/63/64/1207886364.db2.gz DZLABGXRMCVWJY-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774010 1207887984 /nfs/dbraw/zinc/88/79/84/1207887984.db2.gz FTXFWXJBACDABG-ARFHVFGLSA-N 2 2 366.506 0.033 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773718 1207888030 /nfs/dbraw/zinc/88/80/30/1207888030.db2.gz CDINUHNATSEYDW-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)cc1F ZINC001193791600 1207889376 /nfs/dbraw/zinc/88/93/76/1207889376.db2.gz MKQZMVXUKPROJB-IAGOWNOFSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)cc1F ZINC001193791600 1207889377 /nfs/dbraw/zinc/88/93/77/1207889377.db2.gz MKQZMVXUKPROJB-IAGOWNOFSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1F ZINC001193791600 1207889380 /nfs/dbraw/zinc/88/93/80/1207889380.db2.gz MKQZMVXUKPROJB-IAGOWNOFSA-N 2 2 365.449 0.980 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193755155 1207890343 /nfs/dbraw/zinc/89/03/43/1207890343.db2.gz GVTNKTOEFSSRTJ-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193755155 1207890344 /nfs/dbraw/zinc/89/03/44/1207890344.db2.gz GVTNKTOEFSSRTJ-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804672 1207891443 /nfs/dbraw/zinc/89/14/43/1207891443.db2.gz CHPSJWFXBYJZGQ-IAOVAPTHSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804672 1207891445 /nfs/dbraw/zinc/89/14/45/1207891445.db2.gz CHPSJWFXBYJZGQ-IAOVAPTHSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193804672 1207891446 /nfs/dbraw/zinc/89/14/46/1207891446.db2.gz CHPSJWFXBYJZGQ-IAOVAPTHSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193804672 1207891448 /nfs/dbraw/zinc/89/14/48/1207891448.db2.gz CHPSJWFXBYJZGQ-IAOVAPTHSA-N 2 2 366.506 0.079 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806028 1207892058 /nfs/dbraw/zinc/89/20/58/1207892058.db2.gz XVAGCHZOAQMXPU-USXIJHARSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806028 1207892061 /nfs/dbraw/zinc/89/20/61/1207892061.db2.gz XVAGCHZOAQMXPU-USXIJHARSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193806028 1207892063 /nfs/dbraw/zinc/89/20/63/1207892063.db2.gz XVAGCHZOAQMXPU-USXIJHARSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193806028 1207892064 /nfs/dbraw/zinc/89/20/64/1207892064.db2.gz XVAGCHZOAQMXPU-USXIJHARSA-N 2 2 368.522 0.183 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)cn1 ZINC001193892917 1207897715 /nfs/dbraw/zinc/89/77/15/1207897715.db2.gz VZULOLIPZDZTLA-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)cn1 ZINC001193892917 1207897718 /nfs/dbraw/zinc/89/77/18/1207897718.db2.gz VZULOLIPZDZTLA-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001193892917 1207897720 /nfs/dbraw/zinc/89/77/20/1207897720.db2.gz VZULOLIPZDZTLA-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001193892917 1207897721 /nfs/dbraw/zinc/89/77/21/1207897721.db2.gz VZULOLIPZDZTLA-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102194 1207918576 /nfs/dbraw/zinc/91/85/76/1207918576.db2.gz DLMIMSQBHQKCTL-HUUCEWRRSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102194 1207918581 /nfs/dbraw/zinc/91/85/81/1207918581.db2.gz DLMIMSQBHQKCTL-HUUCEWRRSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)o1 ZINC001194102201 1207919422 /nfs/dbraw/zinc/91/94/22/1207919422.db2.gz DNRDKVUWIJPHGH-HZPDHXFCSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)o1 ZINC001194102201 1207919429 /nfs/dbraw/zinc/91/94/29/1207919429.db2.gz DNRDKVUWIJPHGH-HZPDHXFCSA-N 2 2 366.462 0.003 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194408219 1207943778 /nfs/dbraw/zinc/94/37/78/1207943778.db2.gz IJQOEAAWQXIYSX-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194408219 1207943781 /nfs/dbraw/zinc/94/37/81/1207943781.db2.gz IJQOEAAWQXIYSX-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194909357 1207982477 /nfs/dbraw/zinc/98/24/77/1207982477.db2.gz OATZWEYESPGUHJ-BRWVUGGUSA-N 2 2 364.490 0.455 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001194909357 1207982479 /nfs/dbraw/zinc/98/24/79/1207982479.db2.gz OATZWEYESPGUHJ-BRWVUGGUSA-N 2 2 364.490 0.455 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001195128384 1208000316 /nfs/dbraw/zinc/00/03/16/1208000316.db2.gz IANMJDUEHKIEDX-BRWVUGGUSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001195128384 1208000318 /nfs/dbraw/zinc/00/03/18/1208000318.db2.gz IANMJDUEHKIEDX-BRWVUGGUSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001195149036 1208002120 /nfs/dbraw/zinc/00/21/20/1208002120.db2.gz IBTSJKOZJHJYAN-IAGOWNOFSA-N 2 2 364.396 0.955 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001195149036 1208002125 /nfs/dbraw/zinc/00/21/25/1208002125.db2.gz IBTSJKOZJHJYAN-IAGOWNOFSA-N 2 2 364.396 0.955 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220724076 1225036132 /nfs/dbraw/zinc/03/61/32/1225036132.db2.gz DDKIWBVCQBMSNF-NVXWUHKLSA-N 2 2 363.458 0.674 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220724076 1225036144 /nfs/dbraw/zinc/03/61/44/1225036144.db2.gz DDKIWBVCQBMSNF-NVXWUHKLSA-N 2 2 363.458 0.674 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001195707953 1208036126 /nfs/dbraw/zinc/03/61/26/1208036126.db2.gz BJSIQWCVFIUEOJ-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001195707953 1208036129 /nfs/dbraw/zinc/03/61/29/1208036129.db2.gz BJSIQWCVFIUEOJ-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821273 1208042258 /nfs/dbraw/zinc/04/22/58/1208042258.db2.gz IJPWYJZEJPNGKF-USXIJHARSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821273 1208042260 /nfs/dbraw/zinc/04/22/60/1208042260.db2.gz IJPWYJZEJPNGKF-USXIJHARSA-N 2 2 368.522 0.040 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc3ccccc3)C2)cn1 ZINC001196222373 1208067697 /nfs/dbraw/zinc/06/76/97/1208067697.db2.gz MDJSDRANPZZGCY-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc3ccccc3)C2)cn1 ZINC001196222373 1208067701 /nfs/dbraw/zinc/06/77/01/1208067701.db2.gz MDJSDRANPZZGCY-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc3ccccc3)C2)cn1 ZINC001196222373 1208067705 /nfs/dbraw/zinc/06/77/05/1208067705.db2.gz MDJSDRANPZZGCY-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc3ccccc3)C2)cn1 ZINC001196222373 1208067708 /nfs/dbraw/zinc/06/77/08/1208067708.db2.gz MDJSDRANPZZGCY-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197049280 1208131103 /nfs/dbraw/zinc/13/11/03/1208131103.db2.gz LONYZTIQRYDPBX-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197049280 1208131105 /nfs/dbraw/zinc/13/11/05/1208131105.db2.gz LONYZTIQRYDPBX-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001197493399 1208171561 /nfs/dbraw/zinc/17/15/61/1208171561.db2.gz LLVTZVZQFKTSCP-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001197493399 1208171563 /nfs/dbraw/zinc/17/15/63/1208171563.db2.gz LLVTZVZQFKTSCP-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001197493399 1208171566 /nfs/dbraw/zinc/17/15/66/1208171566.db2.gz LLVTZVZQFKTSCP-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001197493399 1208171568 /nfs/dbraw/zinc/17/15/68/1208171568.db2.gz LLVTZVZQFKTSCP-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493235 1208171598 /nfs/dbraw/zinc/17/15/98/1208171598.db2.gz HHRAKNKAZSQEBG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493235 1208171599 /nfs/dbraw/zinc/17/15/99/1208171599.db2.gz HHRAKNKAZSQEBG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493235 1208171600 /nfs/dbraw/zinc/17/16/00/1208171600.db2.gz HHRAKNKAZSQEBG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493235 1208171601 /nfs/dbraw/zinc/17/16/01/1208171601.db2.gz HHRAKNKAZSQEBG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001220740414 1225046929 /nfs/dbraw/zinc/04/69/29/1225046929.db2.gz IBJOVYWSLRKFCZ-MSOLQXFVSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001220740414 1225046940 /nfs/dbraw/zinc/04/69/40/1225046940.db2.gz IBJOVYWSLRKFCZ-MSOLQXFVSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001220740414 1225046950 /nfs/dbraw/zinc/04/69/50/1225046950.db2.gz IBJOVYWSLRKFCZ-MSOLQXFVSA-N 2 2 365.522 0.984 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001197609677 1208176943 /nfs/dbraw/zinc/17/69/43/1208176943.db2.gz DLBPRHTXXYMZKZ-IAGOWNOFSA-N 2 2 361.442 0.182 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001197609677 1208176947 /nfs/dbraw/zinc/17/69/47/1208176947.db2.gz DLBPRHTXXYMZKZ-IAGOWNOFSA-N 2 2 361.442 0.182 20 0 FCADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197609677 1208176950 /nfs/dbraw/zinc/17/69/50/1208176950.db2.gz DLBPRHTXXYMZKZ-IAGOWNOFSA-N 2 2 361.442 0.182 20 0 FCADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197609677 1208176958 /nfs/dbraw/zinc/17/69/58/1208176958.db2.gz DLBPRHTXXYMZKZ-IAGOWNOFSA-N 2 2 361.442 0.182 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001197723443 1208190493 /nfs/dbraw/zinc/19/04/93/1208190493.db2.gz HWXVVTYAAWSGDT-IAGOWNOFSA-N 2 2 370.538 0.575 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1O ZINC001197723443 1208190497 /nfs/dbraw/zinc/19/04/97/1208190497.db2.gz HWXVVTYAAWSGDT-IAGOWNOFSA-N 2 2 370.538 0.575 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001197948757 1208208336 /nfs/dbraw/zinc/20/83/36/1208208336.db2.gz LCOHSFCKTMYPAP-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001197948757 1208208339 /nfs/dbraw/zinc/20/83/39/1208208339.db2.gz LCOHSFCKTMYPAP-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046845 1208213196 /nfs/dbraw/zinc/21/31/96/1208213196.db2.gz GQSAZODGVAVDCH-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046845 1208213198 /nfs/dbraw/zinc/21/31/98/1208213198.db2.gz GQSAZODGVAVDCH-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046845 1208213202 /nfs/dbraw/zinc/21/32/02/1208213202.db2.gz GQSAZODGVAVDCH-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046845 1208213206 /nfs/dbraw/zinc/21/32/06/1208213206.db2.gz GQSAZODGVAVDCH-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001198028456 1208214660 /nfs/dbraw/zinc/21/46/60/1208214660.db2.gz ALKCUXCWYLKWSO-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001198028456 1208214663 /nfs/dbraw/zinc/21/46/63/1208214663.db2.gz ALKCUXCWYLKWSO-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001198028456 1208214664 /nfs/dbraw/zinc/21/46/64/1208214664.db2.gz ALKCUXCWYLKWSO-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001198028456 1208214666 /nfs/dbraw/zinc/21/46/66/1208214666.db2.gz ALKCUXCWYLKWSO-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037975 1208216189 /nfs/dbraw/zinc/21/61/89/1208216189.db2.gz DUUWEMHVQOGCHE-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037975 1208216191 /nfs/dbraw/zinc/21/61/91/1208216191.db2.gz DUUWEMHVQOGCHE-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037975 1208216195 /nfs/dbraw/zinc/21/61/95/1208216195.db2.gz DUUWEMHVQOGCHE-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001198037975 1208216197 /nfs/dbraw/zinc/21/61/97/1208216197.db2.gz DUUWEMHVQOGCHE-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001198275955 1208233301 /nfs/dbraw/zinc/23/33/01/1208233301.db2.gz IGAUCPAHGVGSFY-QZTJIDSGSA-N 2 2 358.442 0.593 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001198275955 1208233304 /nfs/dbraw/zinc/23/33/04/1208233304.db2.gz IGAUCPAHGVGSFY-QZTJIDSGSA-N 2 2 358.442 0.593 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220749973 1225052740 /nfs/dbraw/zinc/05/27/40/1225052740.db2.gz DWKGHVLHYHGFGF-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220749973 1225052749 /nfs/dbraw/zinc/05/27/49/1225052749.db2.gz DWKGHVLHYHGFGF-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023891 1208310013 /nfs/dbraw/zinc/31/00/13/1208310013.db2.gz SFBGBYXYTDENHP-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023891 1208310014 /nfs/dbraw/zinc/31/00/14/1208310014.db2.gz SFBGBYXYTDENHP-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024064 1208310449 /nfs/dbraw/zinc/31/04/49/1208310449.db2.gz ZAKHXQTZKDHUKH-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024064 1208310450 /nfs/dbraw/zinc/31/04/50/1208310450.db2.gz ZAKHXQTZKDHUKH-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)ccn1 ZINC001199071187 1208315637 /nfs/dbraw/zinc/31/56/37/1208315637.db2.gz NFJYMSWGDDUHDH-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)ccn1 ZINC001199071187 1208315639 /nfs/dbraw/zinc/31/56/39/1208315639.db2.gz NFJYMSWGDDUHDH-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095027 1208317145 /nfs/dbraw/zinc/31/71/45/1208317145.db2.gz CUMNMDHXUKLAGE-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095027 1208317147 /nfs/dbraw/zinc/31/71/47/1208317147.db2.gz CUMNMDHXUKLAGE-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001199095027 1208317150 /nfs/dbraw/zinc/31/71/50/1208317150.db2.gz CUMNMDHXUKLAGE-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O)[NH+]1CCCCC1 ZINC001199097111 1208317717 /nfs/dbraw/zinc/31/77/17/1208317717.db2.gz WDCRQMUFQIFSDV-KZNAEPCWSA-N 2 2 363.506 0.592 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119500 1208323195 /nfs/dbraw/zinc/32/31/95/1208323195.db2.gz HMVBXFOUPHFHRU-KZNAEPCWSA-N 2 2 365.474 0.114 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119500 1208323196 /nfs/dbraw/zinc/32/31/96/1208323196.db2.gz HMVBXFOUPHFHRU-KZNAEPCWSA-N 2 2 365.474 0.114 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)cn1 ZINC001199398512 1208349206 /nfs/dbraw/zinc/34/92/06/1208349206.db2.gz SXXVIUGQZOTVBS-IAGOWNOFSA-N 2 2 360.462 0.284 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)cn1 ZINC001199398512 1208349209 /nfs/dbraw/zinc/34/92/09/1208349209.db2.gz SXXVIUGQZOTVBS-IAGOWNOFSA-N 2 2 360.462 0.284 20 0 FCADLP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125395 1208447578 /nfs/dbraw/zinc/44/75/78/1208447578.db2.gz VMEPIKAPRLWGPU-ARFHVFGLSA-N 2 2 366.462 0.118 20 0 FCADLP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125395 1208447581 /nfs/dbraw/zinc/44/75/81/1208447581.db2.gz VMEPIKAPRLWGPU-ARFHVFGLSA-N 2 2 366.462 0.118 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3CC(=O)N(C)C3=O)CC2)CC1 ZINC000776199796 1208460561 /nfs/dbraw/zinc/46/05/61/1208460561.db2.gz DIBAIQWSUMUPSM-UHFFFAOYSA-N 2 2 365.478 0.104 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816886 1225086287 /nfs/dbraw/zinc/08/62/87/1225086287.db2.gz FWCNABZRTPITNN-BBWFWOEESA-N 2 2 370.538 0.430 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816886 1225086292 /nfs/dbraw/zinc/08/62/92/1225086292.db2.gz FWCNABZRTPITNN-BBWFWOEESA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816886 1225086296 /nfs/dbraw/zinc/08/62/96/1225086296.db2.gz FWCNABZRTPITNN-BBWFWOEESA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816886 1225086301 /nfs/dbraw/zinc/08/63/01/1225086301.db2.gz FWCNABZRTPITNN-BBWFWOEESA-N 2 2 370.538 0.430 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822379 1225089194 /nfs/dbraw/zinc/08/91/94/1225089194.db2.gz WEDRDMSYZAXFBW-BBWFWOEESA-N 2 2 370.538 0.523 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822379 1225089200 /nfs/dbraw/zinc/08/92/00/1225089200.db2.gz WEDRDMSYZAXFBW-BBWFWOEESA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822379 1225089206 /nfs/dbraw/zinc/08/92/06/1225089206.db2.gz WEDRDMSYZAXFBW-BBWFWOEESA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822379 1225089213 /nfs/dbraw/zinc/08/92/13/1225089213.db2.gz WEDRDMSYZAXFBW-BBWFWOEESA-N 2 2 370.538 0.523 20 0 FCADLP CCOC(=O)C1=C(NC(=O)c2ccccc2C[NH+]2CCN(C)CC2)C[NH2+]C1 ZINC001220834054 1225097413 /nfs/dbraw/zinc/09/74/13/1225097413.db2.gz GCIJTWZLYVBRQE-UHFFFAOYSA-N 2 2 372.469 0.584 20 0 FCADLP COC(=O)[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1c[nH]c2ccc(OC)cc21 ZINC001220842885 1225102893 /nfs/dbraw/zinc/10/28/93/1225102893.db2.gz CIQPLJNPIAHMBH-JJMVLAAESA-N 2 2 360.414 0.239 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)CC1 ZINC001490047800 1209226647 /nfs/dbraw/zinc/22/66/47/1209226647.db2.gz ZEKXWQMWXLQKNL-CABCVRRESA-N 2 2 359.474 0.601 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001220882117 1225121078 /nfs/dbraw/zinc/12/10/78/1225121078.db2.gz MZBGLBYQYPFYPO-MOPGFXCFSA-N 2 2 371.485 0.780 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001220882117 1225121082 /nfs/dbraw/zinc/12/10/82/1225121082.db2.gz MZBGLBYQYPFYPO-MOPGFXCFSA-N 2 2 371.485 0.780 20 0 FCADLP COC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000852128068 1209534408 /nfs/dbraw/zinc/53/44/08/1209534408.db2.gz FEUPRKAOUBXEMN-OAHLLOKOSA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000852128068 1209534411 /nfs/dbraw/zinc/53/44/11/1209534411.db2.gz FEUPRKAOUBXEMN-OAHLLOKOSA-N 2 2 367.494 0.685 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852890153 1209574198 /nfs/dbraw/zinc/57/41/98/1209574198.db2.gz RYQKFVSDUJYSLV-MRXNPFEDSA-N 2 2 359.430 0.393 20 0 FCADLP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110661591 1209583357 /nfs/dbraw/zinc/58/33/57/1209583357.db2.gz ZLTQMPBYDMXFIQ-BDXSIMOUSA-N 2 2 363.506 0.961 20 0 FCADLP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110661591 1209583361 /nfs/dbraw/zinc/58/33/61/1209583361.db2.gz ZLTQMPBYDMXFIQ-BDXSIMOUSA-N 2 2 363.506 0.961 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001110661493 1209584109 /nfs/dbraw/zinc/58/41/09/1209584109.db2.gz VBUSUFPQROMHDG-BDXSIMOUSA-N 2 2 371.489 0.432 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001110661493 1209584118 /nfs/dbraw/zinc/58/41/18/1209584118.db2.gz VBUSUFPQROMHDG-BDXSIMOUSA-N 2 2 371.489 0.432 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939588 1225149721 /nfs/dbraw/zinc/14/97/21/1225149721.db2.gz PIZPARNMCUHCEG-RDJZCZTQSA-N 2 2 362.449 0.632 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939588 1225149724 /nfs/dbraw/zinc/14/97/24/1225149724.db2.gz PIZPARNMCUHCEG-RDJZCZTQSA-N 2 2 362.449 0.632 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817111 1209909903 /nfs/dbraw/zinc/90/99/03/1209909903.db2.gz NQYBRMWKISIOKG-OAGGEKHMSA-N 2 2 363.462 0.066 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817111 1209909905 /nfs/dbraw/zinc/90/99/05/1209909905.db2.gz NQYBRMWKISIOKG-OAGGEKHMSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001110817254 1209910015 /nfs/dbraw/zinc/91/00/15/1209910015.db2.gz URGKQRDTKPLVBC-ZACQAIPSSA-N 2 2 359.474 0.829 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001110817254 1209910020 /nfs/dbraw/zinc/91/00/20/1209910020.db2.gz URGKQRDTKPLVBC-ZACQAIPSSA-N 2 2 359.474 0.829 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)c1 ZINC000863755376 1209950407 /nfs/dbraw/zinc/95/04/07/1209950407.db2.gz NVVDYIVXSRTMRI-LSDHHAIUSA-N 2 2 362.474 0.706 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000866556344 1209998980 /nfs/dbraw/zinc/99/89/80/1209998980.db2.gz RYWYNWSEHIGFCB-KPFFTGBYSA-N 2 2 374.485 0.509 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000866556344 1209998984 /nfs/dbraw/zinc/99/89/84/1209998984.db2.gz RYWYNWSEHIGFCB-KPFFTGBYSA-N 2 2 374.485 0.509 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cn(CC[NH3+])nn3)C2)c1 ZINC000867997633 1210038160 /nfs/dbraw/zinc/03/81/60/1210038160.db2.gz IEEOMMSTWIFHEL-MRXNPFEDSA-N 2 2 358.446 0.176 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cn(CC[NH3+])nn3)C2)c1 ZINC000867997633 1210038164 /nfs/dbraw/zinc/03/81/64/1210038164.db2.gz IEEOMMSTWIFHEL-MRXNPFEDSA-N 2 2 358.446 0.176 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000868303373 1210051087 /nfs/dbraw/zinc/05/10/87/1210051087.db2.gz YEJFAFPDJDBYGA-OFQRWUPVSA-N 2 2 360.458 0.872 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000875243533 1210355911 /nfs/dbraw/zinc/35/59/11/1210355911.db2.gz WBZWWEGWDTYRKY-IAGOWNOFSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)[NH+]1CCC(CCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000876029278 1210398886 /nfs/dbraw/zinc/39/88/86/1210398886.db2.gz BYOYMZCIYXDJTG-SFHVURJKSA-N 2 2 370.538 0.831 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071632 1225208970 /nfs/dbraw/zinc/20/89/70/1225208970.db2.gz DXOGULCYRKTDHB-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071632 1225208977 /nfs/dbraw/zinc/20/89/77/1225208977.db2.gz DXOGULCYRKTDHB-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073197 1225210087 /nfs/dbraw/zinc/21/00/87/1225210087.db2.gz KTRKAXPGTBLWGY-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073197 1225210095 /nfs/dbraw/zinc/21/00/95/1225210095.db2.gz KTRKAXPGTBLWGY-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)n1 ZINC001221079417 1225213486 /nfs/dbraw/zinc/21/34/86/1225213486.db2.gz YHAASRIKUWJMAJ-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)n1 ZINC001221079417 1225213493 /nfs/dbraw/zinc/21/34/93/1225213493.db2.gz YHAASRIKUWJMAJ-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2cc[nH]n2)CC3)cn1 ZINC001137129191 1210455666 /nfs/dbraw/zinc/45/56/66/1210455666.db2.gz YBZXDGUVTUZBQD-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2cc[nH]n2)CC3)cn1 ZINC001137129191 1210455668 /nfs/dbraw/zinc/45/56/68/1210455668.db2.gz YBZXDGUVTUZBQD-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000879692023 1210494573 /nfs/dbraw/zinc/49/45/73/1210494573.db2.gz DYZIHMTYJULPFQ-KDURUIRLSA-N 2 2 361.486 0.172 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000879692023 1210494574 /nfs/dbraw/zinc/49/45/74/1210494574.db2.gz DYZIHMTYJULPFQ-KDURUIRLSA-N 2 2 361.486 0.172 20 0 FCADLP O=C(C[NH+]1CCC(CO)(CO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000879969090 1210507252 /nfs/dbraw/zinc/50/72/52/1210507252.db2.gz VKEWLOYZURKSOO-UHFFFAOYSA-N 2 2 361.486 0.398 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091129 1225217734 /nfs/dbraw/zinc/21/77/34/1225217734.db2.gz CUMNMDHXUKLAGE-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091129 1225217737 /nfs/dbraw/zinc/21/77/37/1225217737.db2.gz CUMNMDHXUKLAGE-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091129 1225217743 /nfs/dbraw/zinc/21/77/43/1225217743.db2.gz CUMNMDHXUKLAGE-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091129 1225217750 /nfs/dbraw/zinc/21/77/50/1225217750.db2.gz CUMNMDHXUKLAGE-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C1CC1 ZINC001221091667 1225217831 /nfs/dbraw/zinc/21/78/31/1225217831.db2.gz SNJDCXSXXCLPAP-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C1CC1 ZINC001221091667 1225217836 /nfs/dbraw/zinc/21/78/36/1225217836.db2.gz SNJDCXSXXCLPAP-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1)C1CC1 ZINC001221091667 1225217841 /nfs/dbraw/zinc/21/78/41/1225217841.db2.gz SNJDCXSXXCLPAP-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1)C1CC1 ZINC001221091667 1225217847 /nfs/dbraw/zinc/21/78/47/1225217847.db2.gz SNJDCXSXXCLPAP-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP C[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn1 ZINC000881305747 1210583109 /nfs/dbraw/zinc/58/31/09/1210583109.db2.gz CVDRWOGLEJGTSD-AWEZNQCLSA-N 2 2 370.457 0.577 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cccc3c2CCOC3)CN1CC[NH+]1CCOCC1 ZINC000883015787 1210648898 /nfs/dbraw/zinc/64/88/98/1210648898.db2.gz CRNIPSNQWHDURO-GOSISDBHSA-N 2 2 359.470 0.782 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+](CC1CCOCC1)CC2 ZINC001202566697 1210701908 /nfs/dbraw/zinc/70/19/08/1210701908.db2.gz GSLUPIZLZCGTLQ-UHFFFAOYSA-N 2 2 361.490 0.592 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+](CC1CCOCC1)CC2 ZINC001202566697 1210701909 /nfs/dbraw/zinc/70/19/09/1210701909.db2.gz GSLUPIZLZCGTLQ-UHFFFAOYSA-N 2 2 361.490 0.592 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884188974 1210721353 /nfs/dbraw/zinc/72/13/53/1210721353.db2.gz UDFRZECYJIGDEQ-OAHLLOKOSA-N 2 2 372.391 0.986 20 0 FCADLP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000884210621 1210723478 /nfs/dbraw/zinc/72/34/78/1210723478.db2.gz FXWIALLUGBTLKR-GOSISDBHSA-N 2 2 373.501 0.818 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(OCC[NH2+]C)c2)CC1 ZINC000884307251 1210729466 /nfs/dbraw/zinc/72/94/66/1210729466.db2.gz DGMPIGALAHPLOB-UHFFFAOYSA-N 2 2 362.474 0.569 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(OCC[NH2+]C)c2)CC1 ZINC000884307251 1210729468 /nfs/dbraw/zinc/72/94/68/1210729468.db2.gz DGMPIGALAHPLOB-UHFFFAOYSA-N 2 2 362.474 0.569 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1C(F)(F)F ZINC000884527967 1210745133 /nfs/dbraw/zinc/74/51/33/1210745133.db2.gz DEXJZMOESKZNCR-RYUDHWBXSA-N 2 2 369.347 0.546 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1C(F)(F)F ZINC000884527965 1210745894 /nfs/dbraw/zinc/74/58/94/1210745894.db2.gz DEXJZMOESKZNCR-NEPJUHHUSA-N 2 2 369.347 0.546 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000884628365 1210766772 /nfs/dbraw/zinc/76/67/72/1210766772.db2.gz WYQQAYRQQOKMFE-CQSZACIVSA-N 2 2 361.490 0.773 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884644255 1210771453 /nfs/dbraw/zinc/77/14/53/1210771453.db2.gz IYFPTSUCIIXDBJ-JXFKEZNVSA-N 2 2 371.485 0.769 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884644257 1210771466 /nfs/dbraw/zinc/77/14/66/1210771466.db2.gz IYFPTSUCIIXDBJ-OXQOHEQNSA-N 2 2 371.485 0.769 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)cc1 ZINC000884675890 1210778202 /nfs/dbraw/zinc/77/82/02/1210778202.db2.gz ULSXXLUDJXIFDO-SFHVURJKSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)cc1 ZINC000884675890 1210778214 /nfs/dbraw/zinc/77/82/14/1210778214.db2.gz ULSXXLUDJXIFDO-SFHVURJKSA-N 2 2 374.485 0.180 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884847572 1210801262 /nfs/dbraw/zinc/80/12/62/1210801262.db2.gz BGKMGDGLXJHATJ-INIZCTEOSA-N 2 2 367.453 0.698 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884886391 1210802846 /nfs/dbraw/zinc/80/28/46/1210802846.db2.gz LDXREBAUFFTJTG-IAGOWNOFSA-N 2 2 369.469 0.812 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000884968918 1210805656 /nfs/dbraw/zinc/80/56/56/1210805656.db2.gz XICUNMXYCNIPOW-HOTGVXAUSA-N 2 2 366.506 0.204 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000884966680 1210805872 /nfs/dbraw/zinc/80/58/72/1210805872.db2.gz PXIVPDPZKJSQPW-OAHLLOKOSA-N 2 2 359.474 0.625 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000884983337 1210807087 /nfs/dbraw/zinc/80/70/87/1210807087.db2.gz ILZDKYCOENHRJH-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000884983337 1210807089 /nfs/dbraw/zinc/80/70/89/1210807089.db2.gz ILZDKYCOENHRJH-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000885111977 1210811186 /nfs/dbraw/zinc/81/11/86/1210811186.db2.gz AWTVTILFDKYSLE-UHFFFAOYSA-N 2 2 369.469 0.882 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000885226998 1210815968 /nfs/dbraw/zinc/81/59/68/1210815968.db2.gz DOUKHAPVBZPHQS-IAGOWNOFSA-N 2 2 355.442 0.951 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000885284272 1210817138 /nfs/dbraw/zinc/81/71/38/1210817138.db2.gz FJFDLNOWXUQQEI-GXTWGEPZSA-N 2 2 368.384 0.422 20 0 FCADLP COC(=O)c1cncc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000886529114 1210832043 /nfs/dbraw/zinc/83/20/43/1210832043.db2.gz WOCJKGOCRONJKK-QAPCUYQASA-N 2 2 362.474 0.925 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872184 1210838917 /nfs/dbraw/zinc/83/89/17/1210838917.db2.gz LSBIXSYDYHNXMM-AZUAARDMSA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872184 1210838918 /nfs/dbraw/zinc/83/89/18/1210838918.db2.gz LSBIXSYDYHNXMM-AZUAARDMSA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872184 1210838920 /nfs/dbraw/zinc/83/89/20/1210838920.db2.gz LSBIXSYDYHNXMM-AZUAARDMSA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886872184 1210838922 /nfs/dbraw/zinc/83/89/22/1210838922.db2.gz LSBIXSYDYHNXMM-AZUAARDMSA-N 3 2 366.550 0.925 20 0 FCADLP CNC(=O)C1([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000887084794 1210846607 /nfs/dbraw/zinc/84/66/07/1210846607.db2.gz LQMRPBAQKYXRMY-UHFFFAOYSA-N 2 2 374.485 0.216 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887132686 1210848944 /nfs/dbraw/zinc/84/89/44/1210848944.db2.gz KZCZIYBQVZUHLZ-RDJZCZTQSA-N 2 2 359.474 0.719 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887132686 1210848946 /nfs/dbraw/zinc/84/89/46/1210848946.db2.gz KZCZIYBQVZUHLZ-RDJZCZTQSA-N 2 2 359.474 0.719 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887132332 1210849060 /nfs/dbraw/zinc/84/90/60/1210849060.db2.gz CWIKOYUNJHUSTR-OAHLLOKOSA-N 2 2 359.474 0.719 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887132332 1210849062 /nfs/dbraw/zinc/84/90/62/1210849062.db2.gz CWIKOYUNJHUSTR-OAHLLOKOSA-N 2 2 359.474 0.719 20 0 FCADLP COC(=O)CC[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000349340207 1210861588 /nfs/dbraw/zinc/86/15/88/1210861588.db2.gz NBOTWGWGZAXRQY-OAHLLOKOSA-N 2 2 366.462 0.419 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221161575 1225246401 /nfs/dbraw/zinc/24/64/01/1225246401.db2.gz UBIAVKJURYJDMT-BBWFWOEESA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221161575 1225246409 /nfs/dbraw/zinc/24/64/09/1225246409.db2.gz UBIAVKJURYJDMT-BBWFWOEESA-N 2 2 366.462 0.020 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221163094 1225247559 /nfs/dbraw/zinc/24/75/59/1225247559.db2.gz RNSKQDXEUVFAQX-MOPGFXCFSA-N 2 2 354.454 0.875 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221163094 1225247563 /nfs/dbraw/zinc/24/75/63/1225247563.db2.gz RNSKQDXEUVFAQX-MOPGFXCFSA-N 2 2 354.454 0.875 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221163094 1225247567 /nfs/dbraw/zinc/24/75/67/1225247567.db2.gz RNSKQDXEUVFAQX-MOPGFXCFSA-N 2 2 354.454 0.875 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221163094 1225247573 /nfs/dbraw/zinc/24/75/73/1225247573.db2.gz RNSKQDXEUVFAQX-MOPGFXCFSA-N 2 2 354.454 0.875 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756682 1210947838 /nfs/dbraw/zinc/94/78/38/1210947838.db2.gz OEODFXFNVRAUBO-HZPDHXFCSA-N 2 2 372.473 0.894 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174716110 1210985139 /nfs/dbraw/zinc/98/51/39/1210985139.db2.gz QKIXFULRZLVAFI-UHFFFAOYSA-N 2 2 362.474 0.981 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174716110 1210985143 /nfs/dbraw/zinc/98/51/43/1210985143.db2.gz QKIXFULRZLVAFI-UHFFFAOYSA-N 2 2 362.474 0.981 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110873431 1211005729 /nfs/dbraw/zinc/00/57/29/1211005729.db2.gz YUSJQADXPZYMNK-VQHPVUNQSA-N 2 2 358.446 0.252 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110873431 1211005732 /nfs/dbraw/zinc/00/57/32/1211005732.db2.gz YUSJQADXPZYMNK-VQHPVUNQSA-N 2 2 358.446 0.252 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)n1 ZINC001110876381 1211007850 /nfs/dbraw/zinc/00/78/50/1211007850.db2.gz KNPUQDOITZLYNB-ZACQAIPSSA-N 2 2 357.462 0.903 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)n1 ZINC001110876381 1211007851 /nfs/dbraw/zinc/00/78/51/1211007851.db2.gz KNPUQDOITZLYNB-ZACQAIPSSA-N 2 2 357.462 0.903 20 0 FCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(N)[nH+]c1 ZINC001274230972 1211011772 /nfs/dbraw/zinc/01/17/72/1211011772.db2.gz OKXPLMFZPQVMSI-MQVJKMGUSA-N 2 2 359.474 0.796 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)CC1 ZINC001274371530 1211039679 /nfs/dbraw/zinc/03/96/79/1211039679.db2.gz ZOENLLOZMRSCMY-HXUWFJFHSA-N 2 2 365.566 0.500 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)CC1 ZINC001274371530 1211039681 /nfs/dbraw/zinc/03/96/81/1211039681.db2.gz ZOENLLOZMRSCMY-HXUWFJFHSA-N 2 2 365.566 0.500 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001274371530 1211039684 /nfs/dbraw/zinc/03/96/84/1211039684.db2.gz ZOENLLOZMRSCMY-HXUWFJFHSA-N 2 2 365.566 0.500 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274410002 1211046718 /nfs/dbraw/zinc/04/67/18/1211046718.db2.gz YXPGJQYCYPKFNY-KSZLIROESA-N 2 2 361.490 0.669 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274410002 1211046722 /nfs/dbraw/zinc/04/67/22/1211046722.db2.gz YXPGJQYCYPKFNY-KSZLIROESA-N 2 2 361.490 0.669 20 0 FCADLP COC(=O)c1ccc(CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184437 1225258852 /nfs/dbraw/zinc/25/88/52/1225258852.db2.gz WHDSLCZGYMLWEG-XSLAGTTESA-N 3 2 374.485 0.618 20 0 FCADLP COC(=O)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275130079 1211176916 /nfs/dbraw/zinc/17/69/16/1211176916.db2.gz FASARZBLQIPLNX-SFHVURJKSA-N 2 2 364.446 0.387 20 0 FCADLP COC(=O)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275130079 1211176918 /nfs/dbraw/zinc/17/69/18/1211176918.db2.gz FASARZBLQIPLNX-SFHVURJKSA-N 2 2 364.446 0.387 20 0 FCADLP COC(=O)CCC[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001275132955 1211177489 /nfs/dbraw/zinc/17/74/89/1211177489.db2.gz NUQDHGASDFDTFN-SFHVURJKSA-N 2 2 364.446 0.424 20 0 FCADLP COC(=O)CCC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001275132955 1211177492 /nfs/dbraw/zinc/17/74/92/1211177492.db2.gz NUQDHGASDFDTFN-SFHVURJKSA-N 2 2 364.446 0.424 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)[nH]n1 ZINC001275165924 1211186662 /nfs/dbraw/zinc/18/66/62/1211186662.db2.gz WYWHTZGIHYNSNR-SFHVURJKSA-N 2 2 356.430 0.956 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)[nH]n1 ZINC001275165924 1211186665 /nfs/dbraw/zinc/18/66/65/1211186665.db2.gz WYWHTZGIHYNSNR-SFHVURJKSA-N 2 2 356.430 0.956 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](CCCC3OCCO3)C2)OCC1=O ZINC001275293287 1211210120 /nfs/dbraw/zinc/21/01/20/1211210120.db2.gz ONKHOKZBYMLQHC-GOSISDBHSA-N 2 2 364.446 0.377 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](CCCC3OCCO3)C2)OCC1=O ZINC001275293287 1211210123 /nfs/dbraw/zinc/21/01/23/1211210123.db2.gz ONKHOKZBYMLQHC-GOSISDBHSA-N 2 2 364.446 0.377 20 0 FCADLP C[C@@H]1C[C@@H](C[NH+]2CC3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C[C@H](C)O1 ZINC001275313417 1211213731 /nfs/dbraw/zinc/21/37/31/1211213731.db2.gz DRIXAALZLYHGBT-BJWYYQGGSA-N 2 2 362.474 1.000 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343518 1211219181 /nfs/dbraw/zinc/21/91/81/1211219181.db2.gz ONBJWLDSUSRTBV-HXUWFJFHSA-N 3 2 366.550 0.975 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343518 1211219182 /nfs/dbraw/zinc/21/91/82/1211219182.db2.gz ONBJWLDSUSRTBV-HXUWFJFHSA-N 3 2 366.550 0.975 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383364 1211227478 /nfs/dbraw/zinc/22/74/78/1211227478.db2.gz PFQXKGJBUZMAPT-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383364 1211227482 /nfs/dbraw/zinc/22/74/82/1211227482.db2.gz PFQXKGJBUZMAPT-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383364 1211227483 /nfs/dbraw/zinc/22/74/83/1211227483.db2.gz PFQXKGJBUZMAPT-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383364 1211227486 /nfs/dbraw/zinc/22/74/86/1211227486.db2.gz PFQXKGJBUZMAPT-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP CN1C[C@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)OCC1=O ZINC001275389259 1211228854 /nfs/dbraw/zinc/22/88/54/1211228854.db2.gz ALGQAABNRJPYDH-FQEVSTJZSA-N 2 2 359.470 0.952 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392203 1211230049 /nfs/dbraw/zinc/23/00/49/1211230049.db2.gz GWQUTKXXCLGOBT-RDTXWAMCSA-N 2 2 361.446 0.334 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392203 1211230052 /nfs/dbraw/zinc/23/00/52/1211230052.db2.gz GWQUTKXXCLGOBT-RDTXWAMCSA-N 2 2 361.446 0.334 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)OCC1=O ZINC001275440395 1211237806 /nfs/dbraw/zinc/23/78/06/1211237806.db2.gz AVAAYWBIYZGRDV-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)OCC1=O ZINC001275440395 1211237807 /nfs/dbraw/zinc/23/78/07/1211237807.db2.gz AVAAYWBIYZGRDV-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275446779 1211238942 /nfs/dbraw/zinc/23/89/42/1211238942.db2.gz BVQQYCIQXURXGD-SFHVURJKSA-N 2 2 362.430 0.249 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275446779 1211238945 /nfs/dbraw/zinc/23/89/45/1211238945.db2.gz BVQQYCIQXURXGD-SFHVURJKSA-N 2 2 362.430 0.249 20 0 FCADLP Cn1cnnc1CNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275455375 1211241727 /nfs/dbraw/zinc/24/17/27/1211241727.db2.gz JCVXSUZSZVCVHG-CQSZACIVSA-N 2 2 355.446 0.541 20 0 FCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@@H]2C(=O)NC[C@H]2CCC(=O)N2)CC1 ZINC001275456256 1211242488 /nfs/dbraw/zinc/24/24/88/1211242488.db2.gz YBWWVINQGOVBSP-HUUCEWRRSA-N 2 2 357.458 0.491 20 0 FCADLP CCOC(=O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275555680 1211255818 /nfs/dbraw/zinc/25/58/18/1211255818.db2.gz WOBDCLDICSGVQT-IBGZPJMESA-N 2 2 366.506 0.111 20 0 FCADLP CCOC(=O)C[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275555680 1211255821 /nfs/dbraw/zinc/25/58/21/1211255821.db2.gz WOBDCLDICSGVQT-IBGZPJMESA-N 2 2 366.506 0.111 20 0 FCADLP CCOC(=O)C[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275555680 1211255824 /nfs/dbraw/zinc/25/58/24/1211255824.db2.gz WOBDCLDICSGVQT-IBGZPJMESA-N 2 2 366.506 0.111 20 0 FCADLP CCOC(=O)C[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275555680 1211255826 /nfs/dbraw/zinc/25/58/26/1211255826.db2.gz WOBDCLDICSGVQT-IBGZPJMESA-N 2 2 366.506 0.111 20 0 FCADLP CN1C[C@@]2(CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)OCC1=O ZINC001275642034 1211267734 /nfs/dbraw/zinc/26/77/34/1211267734.db2.gz RGQIXPYOMVUGRS-HXUWFJFHSA-N 2 2 359.470 0.952 20 0 FCADLP CN1C[C@@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)OCC1=O ZINC001275642034 1211267737 /nfs/dbraw/zinc/26/77/37/1211267737.db2.gz RGQIXPYOMVUGRS-HXUWFJFHSA-N 2 2 359.470 0.952 20 0 FCADLP Cn1cncc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275683840 1211272585 /nfs/dbraw/zinc/27/25/85/1211272585.db2.gz SSQCPXGMALMLBQ-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cncc1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275683840 1211272586 /nfs/dbraw/zinc/27/25/86/1211272586.db2.gz SSQCPXGMALMLBQ-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275798817 1211285131 /nfs/dbraw/zinc/28/51/31/1211285131.db2.gz GTCRROGDQQNILW-INIZCTEOSA-N 2 2 360.458 0.278 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275798817 1211285133 /nfs/dbraw/zinc/28/51/33/1211285133.db2.gz GTCRROGDQQNILW-INIZCTEOSA-N 2 2 360.458 0.278 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC3)n(C)n1 ZINC001275801713 1211286223 /nfs/dbraw/zinc/28/62/23/1211286223.db2.gz UWZCMUXXRUDHPG-KRWDZBQOSA-N 2 2 361.490 0.220 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC3)n(C)n1 ZINC001275801713 1211286225 /nfs/dbraw/zinc/28/62/25/1211286225.db2.gz UWZCMUXXRUDHPG-KRWDZBQOSA-N 2 2 361.490 0.220 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](CCCn3cccn3)C2)CN1CCn1cc[nH+]c1 ZINC001275831091 1211293398 /nfs/dbraw/zinc/29/33/98/1211293398.db2.gz URJLNFGWPDVNMO-GOSISDBHSA-N 2 2 358.446 0.473 20 0 FCADLP O=C1CO[C@@]2(CC[N@@H+](CCCn3cccn3)C2)CN1CCn1cc[nH+]c1 ZINC001275831091 1211293401 /nfs/dbraw/zinc/29/34/01/1211293401.db2.gz URJLNFGWPDVNMO-GOSISDBHSA-N 2 2 358.446 0.473 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000370830467 1211333165 /nfs/dbraw/zinc/33/31/65/1211333165.db2.gz NJZNKKJDUSQQFV-MRXNPFEDSA-N 2 2 371.489 0.982 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000370830467 1211333169 /nfs/dbraw/zinc/33/31/69/1211333169.db2.gz NJZNKKJDUSQQFV-MRXNPFEDSA-N 2 2 371.489 0.982 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001221256881 1225282530 /nfs/dbraw/zinc/28/25/30/1225282530.db2.gz PRFFXEFZWHZDDR-ILXRZTDVSA-N 2 2 366.462 0.556 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247536 1211391705 /nfs/dbraw/zinc/39/17/05/1211391705.db2.gz PQTSMAPXHBBIGI-SCLBCKFNSA-N 2 2 362.430 0.570 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247536 1211391708 /nfs/dbraw/zinc/39/17/08/1211391708.db2.gz PQTSMAPXHBBIGI-SCLBCKFNSA-N 2 2 362.430 0.570 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248962 1211392122 /nfs/dbraw/zinc/39/21/22/1211392122.db2.gz YINNVQSZNSSOHF-KSSFIOAISA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248962 1211392125 /nfs/dbraw/zinc/39/21/25/1211392125.db2.gz YINNVQSZNSSOHF-KSSFIOAISA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252689 1211394097 /nfs/dbraw/zinc/39/40/97/1211394097.db2.gz WJLPDIWOVWQNRI-KDOFPFPSSA-N 2 2 364.446 0.280 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252689 1211394099 /nfs/dbraw/zinc/39/40/99/1211394099.db2.gz WJLPDIWOVWQNRI-KDOFPFPSSA-N 2 2 364.446 0.280 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]ccn21 ZINC001095531866 1211398227 /nfs/dbraw/zinc/39/82/27/1211398227.db2.gz WENCLNCFZRMDLS-FXUDXRNXSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]ccn21 ZINC001095531866 1211398230 /nfs/dbraw/zinc/39/82/30/1211398230.db2.gz WENCLNCFZRMDLS-FXUDXRNXSA-N 2 2 355.446 0.774 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925043673 1211489345 /nfs/dbraw/zinc/48/93/45/1211489345.db2.gz NYZLBNPRXHLQRQ-IAGOWNOFSA-N 2 2 360.458 0.678 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925043673 1211489346 /nfs/dbraw/zinc/48/93/46/1211489346.db2.gz NYZLBNPRXHLQRQ-IAGOWNOFSA-N 2 2 360.458 0.678 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn(C)n1 ZINC000925395138 1211497749 /nfs/dbraw/zinc/49/77/49/1211497749.db2.gz DGYMNPKMWKHNBF-HUUCEWRRSA-N 2 2 372.477 0.761 20 0 FCADLP [NH3+]CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000925568430 1211502281 /nfs/dbraw/zinc/50/22/81/1211502281.db2.gz ARKXKKQCQAGYKA-OALUTQOASA-N 3 2 360.502 0.989 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000925613189 1211505153 /nfs/dbraw/zinc/50/51/53/1211505153.db2.gz QKUOCGXBKFOFJE-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1=O ZINC000927091219 1211564554 /nfs/dbraw/zinc/56/45/54/1211564554.db2.gz HPTCEBVECUQERY-HNNXBMFYSA-N 2 2 359.474 0.895 20 0 FCADLP COc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1nnc(C)o1 ZINC001221338722 1225300044 /nfs/dbraw/zinc/30/00/44/1225300044.db2.gz VGYFEIWUVTVVDQ-DZGCQCFKSA-N 2 2 356.386 0.885 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000928642965 1211607482 /nfs/dbraw/zinc/60/74/82/1211607482.db2.gz XLFPKELMKMQLCX-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000928642965 1211607486 /nfs/dbraw/zinc/60/74/86/1211607486.db2.gz XLFPKELMKMQLCX-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000929514420 1211644196 /nfs/dbraw/zinc/64/41/96/1211644196.db2.gz PMGKWZKVBQZVKH-UHFFFAOYSA-N 2 2 370.457 0.656 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000929863448 1211665304 /nfs/dbraw/zinc/66/53/04/1211665304.db2.gz LYWZKLZDJCCQBQ-CQSZACIVSA-N 2 2 363.462 0.003 20 0 FCADLP COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110977839 1211675034 /nfs/dbraw/zinc/67/50/34/1211675034.db2.gz BOGIZEOZNMBNSH-NCOADZHNSA-N 2 2 363.462 0.215 20 0 FCADLP COCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110977839 1211675037 /nfs/dbraw/zinc/67/50/37/1211675037.db2.gz BOGIZEOZNMBNSH-NCOADZHNSA-N 2 2 363.462 0.215 20 0 FCADLP COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001110977839 1211675040 /nfs/dbraw/zinc/67/50/40/1211675040.db2.gz BOGIZEOZNMBNSH-NCOADZHNSA-N 2 2 363.462 0.215 20 0 FCADLP COCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001110977839 1211675042 /nfs/dbraw/zinc/67/50/42/1211675042.db2.gz BOGIZEOZNMBNSH-NCOADZHNSA-N 2 2 363.462 0.215 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C(=O)NCC3(C)C)CC2)c1 ZINC000931662568 1211768967 /nfs/dbraw/zinc/76/89/67/1211768967.db2.gz GHLGQJPFGCYQHG-SFHVURJKSA-N 2 2 358.486 0.753 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H](C2OCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000932007049 1211792882 /nfs/dbraw/zinc/79/28/82/1211792882.db2.gz CCFXBCUUSVYPAZ-MRXNPFEDSA-N 2 2 360.458 0.815 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H](C2OCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000932007049 1211792885 /nfs/dbraw/zinc/79/28/85/1211792885.db2.gz CCFXBCUUSVYPAZ-MRXNPFEDSA-N 2 2 360.458 0.815 20 0 FCADLP Cc1occc(=O)c1OCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932576228 1211813464 /nfs/dbraw/zinc/81/34/64/1211813464.db2.gz LRTXRADGTCQLSA-MRXNPFEDSA-N 2 2 363.458 0.954 20 0 FCADLP Cc1occc(=O)c1OCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932576228 1211813466 /nfs/dbraw/zinc/81/34/66/1211813466.db2.gz LRTXRADGTCQLSA-MRXNPFEDSA-N 2 2 363.458 0.954 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146853 1211899947 /nfs/dbraw/zinc/89/99/47/1211899947.db2.gz CHJZKWNOUKNXQS-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146853 1211899948 /nfs/dbraw/zinc/89/99/48/1211899948.db2.gz CHJZKWNOUKNXQS-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151663 1211901343 /nfs/dbraw/zinc/90/13/43/1211901343.db2.gz GMDYZJQXYUUMBS-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151663 1211901346 /nfs/dbraw/zinc/90/13/46/1211901346.db2.gz GMDYZJQXYUUMBS-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001111169418 1211910442 /nfs/dbraw/zinc/91/04/42/1211910442.db2.gz SPCSACYMQRVMIR-OIISXLGYSA-N 2 2 362.474 0.959 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000948116649 1212136146 /nfs/dbraw/zinc/13/61/46/1212136146.db2.gz PYOSRDBDPQJFKH-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000948116649 1212136150 /nfs/dbraw/zinc/13/61/50/1212136150.db2.gz PYOSRDBDPQJFKH-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948465159 1212184531 /nfs/dbraw/zinc/18/45/31/1212184531.db2.gz MZUGXYWUQSNLRG-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948465159 1212184536 /nfs/dbraw/zinc/18/45/36/1212184536.db2.gz MZUGXYWUQSNLRG-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276161 1212191237 /nfs/dbraw/zinc/19/12/37/1212191237.db2.gz GYHDBTNZTKCLJA-ABFRBSLYSA-N 2 2 361.490 0.939 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276161 1212191240 /nfs/dbraw/zinc/19/12/40/1212191240.db2.gz GYHDBTNZTKCLJA-ABFRBSLYSA-N 2 2 361.490 0.939 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001111276461 1212192243 /nfs/dbraw/zinc/19/22/43/1212192243.db2.gz WQEWRHRCYOEMGC-SPUZQDLCSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001111276461 1212192246 /nfs/dbraw/zinc/19/22/46/1212192246.db2.gz WQEWRHRCYOEMGC-SPUZQDLCSA-N 2 2 362.474 0.880 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001111277107 1212203802 /nfs/dbraw/zinc/20/38/02/1212203802.db2.gz ATSWSGVZPJRRKJ-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001111277107 1212203804 /nfs/dbraw/zinc/20/38/04/1212203804.db2.gz ATSWSGVZPJRRKJ-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001111280336 1212225623 /nfs/dbraw/zinc/22/56/23/1212225623.db2.gz UMUCQVHLOHYDLI-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001111280336 1212225629 /nfs/dbraw/zinc/22/56/29/1212225629.db2.gz UMUCQVHLOHYDLI-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281527 1212233305 /nfs/dbraw/zinc/23/33/05/1212233305.db2.gz WKIGTTCUTNVUNI-HZMVEIRTSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281527 1212233307 /nfs/dbraw/zinc/23/33/07/1212233307.db2.gz WKIGTTCUTNVUNI-HZMVEIRTSA-N 2 2 368.522 0.591 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC000969062859 1212252967 /nfs/dbraw/zinc/25/29/67/1212252967.db2.gz ZHEYMQKZHGHFQY-YYIAUSFCSA-N 2 2 371.485 0.821 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC000969071941 1212255423 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/nfs/dbraw/zinc/52/06/22/1225520622.db2.gz PZWYUZJLGFWIFR-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221878402 1225520627 /nfs/dbraw/zinc/52/06/27/1225520627.db2.gz PZWYUZJLGFWIFR-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399203 1214354608 /nfs/dbraw/zinc/35/46/08/1214354608.db2.gz LCNVXJPACVNASB-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399203 1214354611 /nfs/dbraw/zinc/35/46/11/1214354611.db2.gz LCNVXJPACVNASB-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399203 1214354618 /nfs/dbraw/zinc/35/46/18/1214354618.db2.gz LCNVXJPACVNASB-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399203 1214354622 /nfs/dbraw/zinc/35/46/22/1214354622.db2.gz LCNVXJPACVNASB-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039614852 1214411140 /nfs/dbraw/zinc/41/11/40/1214411140.db2.gz RJQFHEBLJLEQQO-VYDXJSESSA-N 2 2 370.461 0.581 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039614959 1214412380 /nfs/dbraw/zinc/41/23/80/1214412380.db2.gz XKYAYRALHGKASQ-CABCVRRESA-N 2 2 370.461 0.725 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2nncn2C)C3)CC[N@@H+]1C ZINC001040208936 1214484464 /nfs/dbraw/zinc/48/44/64/1214484464.db2.gz DMTMKLDXLGXOMQ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2nncn2C)C3)CC[N@H+]1C ZINC001040208936 1214484471 /nfs/dbraw/zinc/48/44/71/1214484471.db2.gz DMTMKLDXLGXOMQ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2nncn2C)C3)CC[NH+]1C ZINC001040208936 1214484477 /nfs/dbraw/zinc/48/44/77/1214484477.db2.gz DMTMKLDXLGXOMQ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2nncn2C)C3)CC[NH+]1C ZINC001040208936 1214484483 /nfs/dbraw/zinc/48/44/83/1214484483.db2.gz DMTMKLDXLGXOMQ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[NH+](C)CC4)C[C@H]21 ZINC001040547483 1214530439 /nfs/dbraw/zinc/53/04/39/1214530439.db2.gz MHXZISOVWDRDKE-JCGIZDLHSA-N 2 2 370.501 0.596 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[NH+](C)CC4)C[C@H]21 ZINC001040547483 1214530445 /nfs/dbraw/zinc/53/04/45/1214530445.db2.gz MHXZISOVWDRDKE-JCGIZDLHSA-N 2 2 370.501 0.596 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](C)CC4)C[C@H]21 ZINC001040547483 1214530451 /nfs/dbraw/zinc/53/04/51/1214530451.db2.gz MHXZISOVWDRDKE-JCGIZDLHSA-N 2 2 370.501 0.596 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](C)CC4)C[C@H]21 ZINC001040547483 1214530460 /nfs/dbraw/zinc/53/04/60/1214530460.db2.gz MHXZISOVWDRDKE-JCGIZDLHSA-N 2 2 370.501 0.596 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001040786711 1214589914 /nfs/dbraw/zinc/58/99/14/1214589914.db2.gz KKAGZSBGZYIOIU-CWRNSKLLSA-N 2 2 369.473 0.885 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001040786711 1214589919 /nfs/dbraw/zinc/58/99/19/1214589919.db2.gz KKAGZSBGZYIOIU-CWRNSKLLSA-N 2 2 369.473 0.885 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c2c([nH+]1)CCCC2 ZINC001041109095 1214704795 /nfs/dbraw/zinc/70/47/95/1214704795.db2.gz QBUUMHCREVCZMX-IAGOWNOFSA-N 2 2 371.485 0.425 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@@H+]1C ZINC000963925848 1214875944 /nfs/dbraw/zinc/87/59/44/1214875944.db2.gz WEQGEIADOGDHSW-BMFZPTHFSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@H+]1C ZINC000963925848 1214875948 /nfs/dbraw/zinc/87/59/48/1214875948.db2.gz WEQGEIADOGDHSW-BMFZPTHFSA-N 2 2 359.474 0.790 20 0 FCADLP O=C(NC1CC2(C1)CC([NH2+][C@@H]1CCCNC1=O)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000964013706 1214886250 /nfs/dbraw/zinc/88/62/50/1214886250.db2.gz FHSGKBYBVYBNHE-BCEGUSRUSA-N 2 2 357.458 0.809 20 0 FCADLP O=C(NC1CC2(C1)CC([NH2+][C@@H]1CCCNC1=O)C2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000964013706 1214886253 /nfs/dbraw/zinc/88/62/53/1214886253.db2.gz FHSGKBYBVYBNHE-BCEGUSRUSA-N 2 2 357.458 0.809 20 0 FCADLP Cn1cnnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000965159979 1215026366 /nfs/dbraw/zinc/02/63/66/1215026366.db2.gz JLZRSODIQXNNCZ-AGTUJZOGSA-N 2 2 369.473 0.869 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000968010987 1215272448 /nfs/dbraw/zinc/27/24/48/1215272448.db2.gz UNRJCEHUDHUZGH-RHSMWYFYSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000968010987 1215272450 /nfs/dbraw/zinc/27/24/50/1215272450.db2.gz UNRJCEHUDHUZGH-RHSMWYFYSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968090012 1215283353 /nfs/dbraw/zinc/28/33/53/1215283353.db2.gz AXTLXDCKVOWDMC-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968090012 1215283356 /nfs/dbraw/zinc/28/33/56/1215283356.db2.gz AXTLXDCKVOWDMC-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968090012 1215283362 /nfs/dbraw/zinc/28/33/62/1215283362.db2.gz AXTLXDCKVOWDMC-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968090012 1215283365 /nfs/dbraw/zinc/28/33/65/1215283365.db2.gz AXTLXDCKVOWDMC-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001222050127 1225591234 /nfs/dbraw/zinc/59/12/34/1225591234.db2.gz TXGALSOOBRTKHR-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001222050127 1225591241 /nfs/dbraw/zinc/59/12/41/1225591241.db2.gz TXGALSOOBRTKHR-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001222050127 1225591245 /nfs/dbraw/zinc/59/12/45/1225591245.db2.gz TXGALSOOBRTKHR-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001222595902 1225637602 /nfs/dbraw/zinc/63/76/02/1225637602.db2.gz LJJREESHFCFXIB-WKULXVSPSA-N 2 2 360.454 0.913 20 0 FCADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001222595902 1225637606 /nfs/dbraw/zinc/63/76/06/1225637606.db2.gz LJJREESHFCFXIB-WKULXVSPSA-N 2 2 360.454 0.913 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001055652803 1215901036 /nfs/dbraw/zinc/90/10/36/1215901036.db2.gz ODWFUPMMMGSFOS-GDBMZVCRSA-N 2 2 363.462 0.147 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001056682927 1215983258 /nfs/dbraw/zinc/98/32/58/1215983258.db2.gz TYHDOMCIDKDHJW-KLZNWCGWSA-N 2 2 359.474 0.914 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056682927 1215983261 /nfs/dbraw/zinc/98/32/61/1215983261.db2.gz TYHDOMCIDKDHJW-KLZNWCGWSA-N 2 2 359.474 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001000002639 1215987796 /nfs/dbraw/zinc/98/77/96/1215987796.db2.gz KONOINMNMYPUPF-HUUCEWRRSA-N 2 2 357.458 0.479 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001000476179 1216067798 /nfs/dbraw/zinc/06/77/98/1216067798.db2.gz KQCYWUHWOREMDN-IRWJRLHMSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001000476179 1216067804 /nfs/dbraw/zinc/06/78/04/1216067804.db2.gz KQCYWUHWOREMDN-IRWJRLHMSA-N 2 2 359.474 0.851 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnnn3C)[C@H]2C1 ZINC001222799583 1225654408 /nfs/dbraw/zinc/65/44/08/1225654408.db2.gz MECWEHRVOUZYNE-PVAVHDDUSA-N 2 2 366.485 0.918 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnnn3C)[C@H]2C1 ZINC001222799583 1225654411 /nfs/dbraw/zinc/65/44/11/1225654411.db2.gz MECWEHRVOUZYNE-PVAVHDDUSA-N 2 2 366.485 0.918 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841922 1225656197 /nfs/dbraw/zinc/65/61/97/1225656197.db2.gz GLUXUSYRGNHLQO-KBXCAEBGSA-N 2 2 361.446 0.632 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841922 1225656203 /nfs/dbraw/zinc/65/62/03/1225656203.db2.gz GLUXUSYRGNHLQO-KBXCAEBGSA-N 2 2 361.446 0.632 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222849585 1225659567 /nfs/dbraw/zinc/65/95/67/1225659567.db2.gz XZOSLQGZGCOYJV-PBHICJAKSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222849585 1225659572 /nfs/dbraw/zinc/65/95/72/1225659572.db2.gz XZOSLQGZGCOYJV-PBHICJAKSA-N 2 2 359.474 0.791 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4nncn4C)C[C@H]32)CC[N@@H+]1C ZINC001050051096 1216275018 /nfs/dbraw/zinc/27/50/18/1216275018.db2.gz OZTIRGCJKUWAFE-MWDXBVQZSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4nncn4C)C[C@H]32)CC[N@H+]1C ZINC001050051096 1216275031 /nfs/dbraw/zinc/27/50/31/1216275031.db2.gz OZTIRGCJKUWAFE-MWDXBVQZSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4nncn4C)C[C@H]32)CC[NH+]1C ZINC001050051096 1216275042 /nfs/dbraw/zinc/27/50/42/1216275042.db2.gz OZTIRGCJKUWAFE-MWDXBVQZSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4nncn4C)C[C@H]32)CC[NH+]1C ZINC001050051096 1216275053 /nfs/dbraw/zinc/27/50/53/1216275053.db2.gz OZTIRGCJKUWAFE-MWDXBVQZSA-N 2 2 360.506 0.968 20 0 FCADLP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843393 1225662679 /nfs/dbraw/zinc/66/26/79/1225662679.db2.gz FYRMIJVGYZCGRN-RDTXWAMCSA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843393 1225662683 /nfs/dbraw/zinc/66/26/83/1225662683.db2.gz FYRMIJVGYZCGRN-RDTXWAMCSA-N 2 2 362.430 0.676 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ncccn2)CC3)O1 ZINC001050562688 1216335744 /nfs/dbraw/zinc/33/57/44/1216335744.db2.gz FTLCUNRUQYJWOW-HZPDHXFCSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ncccn2)CC3)O1 ZINC001050562688 1216335748 /nfs/dbraw/zinc/33/57/48/1216335748.db2.gz FTLCUNRUQYJWOW-HZPDHXFCSA-N 2 2 359.474 0.620 20 0 FCADLP 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CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4nnnn4C)C3)C2)CC[NH+]1C ZINC001041300277 1217273115 /nfs/dbraw/zinc/27/31/15/1217273115.db2.gz GSBMVZFGQRDOSP-DAYGRLMNSA-N 2 2 361.494 0.365 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001041344329 1217288781 /nfs/dbraw/zinc/28/87/81/1217288781.db2.gz SEXFZWZZKVUKDV-NUEKZKHPSA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001041344329 1217288785 /nfs/dbraw/zinc/28/87/85/1217288785.db2.gz SEXFZWZZKVUKDV-NUEKZKHPSA-N 2 2 361.490 0.916 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@H]1O ZINC001041403386 1217313847 /nfs/dbraw/zinc/31/38/47/1217313847.db2.gz JPAFIDLVSGMOTD-IXDOHACOSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@H]1O ZINC001041403386 1217313855 /nfs/dbraw/zinc/31/38/55/1217313855.db2.gz JPAFIDLVSGMOTD-IXDOHACOSA-N 2 2 361.490 0.888 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001041695913 1217355015 /nfs/dbraw/zinc/35/50/15/1217355015.db2.gz HDHCDHLGLYZRSC-QINHECLXSA-N 2 2 371.485 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001041695913 1217355022 /nfs/dbraw/zinc/35/50/22/1217355022.db2.gz HDHCDHLGLYZRSC-QINHECLXSA-N 2 2 371.485 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001041696227 1217355518 /nfs/dbraw/zinc/35/55/18/1217355518.db2.gz MHSMUWIPEZKDNL-JXXFODFXSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001041696227 1217355520 /nfs/dbraw/zinc/35/55/20/1217355520.db2.gz MHSMUWIPEZKDNL-JXXFODFXSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042502603 1217425206 /nfs/dbraw/zinc/42/52/06/1217425206.db2.gz OKJFTVHSTPIMSE-GZBFAFLISA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001042502603 1217425212 /nfs/dbraw/zinc/42/52/12/1217425212.db2.gz OKJFTVHSTPIMSE-GZBFAFLISA-N 2 2 357.462 0.646 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001043206348 1217589173 /nfs/dbraw/zinc/58/91/73/1217589173.db2.gz HIHZDVSMOYXXMC-BXUZGUMPSA-N 2 2 354.418 0.827 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)NCC1CCC1 ZINC001224297762 1225771263 /nfs/dbraw/zinc/77/12/63/1225771263.db2.gz DJTXBPDSDQZSCW-SJORKVTESA-N 2 2 359.474 0.722 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)NCC1CCC1 ZINC001224297762 1225771269 /nfs/dbraw/zinc/77/12/69/1225771269.db2.gz DJTXBPDSDQZSCW-SJORKVTESA-N 2 2 359.474 0.722 20 0 FCADLP CC(C)OC(=O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276966602 1225778865 /nfs/dbraw/zinc/77/88/65/1225778865.db2.gz WVCHGDFDTRRFQA-GOSISDBHSA-N 2 2 362.430 0.676 20 0 FCADLP CC(C)OC(=O)C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276966602 1225778869 /nfs/dbraw/zinc/77/88/69/1225778869.db2.gz WVCHGDFDTRRFQA-GOSISDBHSA-N 2 2 362.430 0.676 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044813619 1217883529 /nfs/dbraw/zinc/88/35/29/1217883529.db2.gz JMRCILOCCQFBKP-SJORKVTESA-N 2 2 366.425 0.975 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N(C)C)C2 ZINC001096019800 1217922484 /nfs/dbraw/zinc/92/24/84/1217922484.db2.gz XNKXMHCZLUQJKV-FSDCSDTHSA-N 2 2 359.474 0.564 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N(C)C)C2 ZINC001096019800 1217922487 /nfs/dbraw/zinc/92/24/87/1217922487.db2.gz XNKXMHCZLUQJKV-FSDCSDTHSA-N 2 2 359.474 0.564 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001045563746 1217941908 /nfs/dbraw/zinc/94/19/08/1217941908.db2.gz KDFLTIRFVPEWEE-RBSFLKMASA-N 2 2 359.474 0.773 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000900646886 1218017313 /nfs/dbraw/zinc/01/73/13/1218017313.db2.gz JXAABTWGBUKBNP-UHFFFAOYSA-N 2 2 367.582 0.889 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000900646886 1218017319 /nfs/dbraw/zinc/01/73/19/1218017319.db2.gz JXAABTWGBUKBNP-UHFFFAOYSA-N 2 2 367.582 0.889 20 0 FCADLP CN(C(=O)c1ccnc2[nH]c(=O)[nH]c21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669343 1218021781 /nfs/dbraw/zinc/02/17/81/1218021781.db2.gz KLOMNLHBTWGRGV-CYBMUJFWSA-N 2 2 358.446 0.904 20 0 FCADLP CN(C(=O)c1ccnc2[nH]c(=O)[nH]c21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669343 1218021786 /nfs/dbraw/zinc/02/17/86/1218021786.db2.gz KLOMNLHBTWGRGV-CYBMUJFWSA-N 2 2 358.446 0.904 20 0 FCADLP Cn1nccc1[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800859493 1218028537 /nfs/dbraw/zinc/02/85/37/1218028537.db2.gz JSDAKECKRXAXIU-CQSZACIVSA-N 2 2 360.462 0.573 20 0 FCADLP Cn1nccc1[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800859493 1218028541 /nfs/dbraw/zinc/02/85/41/1218028541.db2.gz JSDAKECKRXAXIU-CQSZACIVSA-N 2 2 360.462 0.573 20 0 FCADLP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800079 1218039213 /nfs/dbraw/zinc/03/92/13/1218039213.db2.gz BBRPYOCJVNGTAH-RDJZCZTQSA-N 2 2 360.506 0.198 20 0 FCADLP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800079 1218039218 /nfs/dbraw/zinc/03/92/18/1218039218.db2.gz BBRPYOCJVNGTAH-RDJZCZTQSA-N 2 2 360.506 0.198 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900810778 1218040495 /nfs/dbraw/zinc/04/04/95/1218040495.db2.gz INXZSGHQGOREKX-DOMZBBRYSA-N 2 2 359.478 0.587 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900810778 1218040499 /nfs/dbraw/zinc/04/04/99/1218040499.db2.gz INXZSGHQGOREKX-DOMZBBRYSA-N 2 2 359.478 0.587 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046632621 1218059798 /nfs/dbraw/zinc/05/97/98/1218059798.db2.gz FYKHIUXQMMYZNS-HBUWYVDXSA-N 2 2 360.462 0.129 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046632621 1218059803 /nfs/dbraw/zinc/05/98/03/1218059803.db2.gz FYKHIUXQMMYZNS-HBUWYVDXSA-N 2 2 360.462 0.129 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000901084209 1218078127 /nfs/dbraw/zinc/07/81/27/1218078127.db2.gz FJHBEEPHCUQTSM-HNNXBMFYSA-N 2 2 363.462 0.344 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000901084209 1218078131 /nfs/dbraw/zinc/07/81/31/1218078131.db2.gz FJHBEEPHCUQTSM-HNNXBMFYSA-N 2 2 363.462 0.344 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096140413 1218090226 /nfs/dbraw/zinc/09/02/26/1218090226.db2.gz XGLMIPLZMSFLQC-NJAFHUGGSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096140413 1218090229 /nfs/dbraw/zinc/09/02/29/1218090229.db2.gz XGLMIPLZMSFLQC-NJAFHUGGSA-N 2 2 371.489 0.714 20 0 FCADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001047383583 1218136339 /nfs/dbraw/zinc/13/63/39/1218136339.db2.gz GITUPZSMLFVHSJ-NCOADZHNSA-N 2 2 362.474 0.304 20 0 FCADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001047383583 1218136342 /nfs/dbraw/zinc/13/63/42/1218136342.db2.gz GITUPZSMLFVHSJ-NCOADZHNSA-N 2 2 362.474 0.304 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnc(C)nc3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386008 1218137993 /nfs/dbraw/zinc/13/79/93/1218137993.db2.gz IVHWMDVFYUOLNF-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnc(C)nc3)C[C@@H]2O)CC[N@H+]1C ZINC001047386008 1218137998 /nfs/dbraw/zinc/13/79/98/1218137998.db2.gz IVHWMDVFYUOLNF-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cnc(C)nc3)C[C@@H]2O)CC[NH+]1C ZINC001047386008 1218138003 /nfs/dbraw/zinc/13/80/03/1218138003.db2.gz IVHWMDVFYUOLNF-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@@H]2O)CC[NH+]1C ZINC001047386008 1218138010 /nfs/dbraw/zinc/13/80/10/1218138010.db2.gz IVHWMDVFYUOLNF-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001096249301 1218185476 /nfs/dbraw/zinc/18/54/76/1218185476.db2.gz VESJHTDWOFGSKN-QZWWFDLISA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001096249301 1218185482 /nfs/dbraw/zinc/18/54/82/1218185482.db2.gz VESJHTDWOFGSKN-QZWWFDLISA-N 2 2 366.425 0.491 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)cn1 ZINC001048873771 1218331625 /nfs/dbraw/zinc/33/16/25/1218331625.db2.gz WSVYZHYTXXDIOM-YYIAUSFCSA-N 2 2 354.458 0.880 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)cn1 ZINC001048873771 1218331634 /nfs/dbraw/zinc/33/16/34/1218331634.db2.gz WSVYZHYTXXDIOM-YYIAUSFCSA-N 2 2 354.458 0.880 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)cn1 ZINC001048873771 1218331640 /nfs/dbraw/zinc/33/16/40/1218331640.db2.gz WSVYZHYTXXDIOM-YYIAUSFCSA-N 2 2 354.458 0.880 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)cn1 ZINC001048873771 1218331645 /nfs/dbraw/zinc/33/16/45/1218331645.db2.gz WSVYZHYTXXDIOM-YYIAUSFCSA-N 2 2 354.458 0.880 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)cn4)C[C@@H]3C2)O1 ZINC001048891682 1218336998 /nfs/dbraw/zinc/33/69/98/1218336998.db2.gz UGRDDNOCDYHKPN-ZXFNITATSA-N 2 2 362.449 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)cn4)C[C@@H]3C2)O1 ZINC001048891682 1218337005 /nfs/dbraw/zinc/33/70/05/1218337005.db2.gz UGRDDNOCDYHKPN-ZXFNITATSA-N 2 2 362.449 0.830 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)cn4)C[C@@H]3C2)O1 ZINC001048891682 1218337011 /nfs/dbraw/zinc/33/70/11/1218337011.db2.gz UGRDDNOCDYHKPN-ZXFNITATSA-N 2 2 362.449 0.830 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(F)cn4)C[C@@H]3C2)O1 ZINC001048891682 1218337021 /nfs/dbraw/zinc/33/70/21/1218337021.db2.gz UGRDDNOCDYHKPN-ZXFNITATSA-N 2 2 362.449 0.830 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049066291 1218373063 /nfs/dbraw/zinc/37/30/63/1218373063.db2.gz CXRFFSDGWDYWOJ-OCVGTWLNSA-N 2 2 355.446 0.243 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049066291 1218373069 /nfs/dbraw/zinc/37/30/69/1218373069.db2.gz CXRFFSDGWDYWOJ-OCVGTWLNSA-N 2 2 355.446 0.243 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803348963 1218393083 /nfs/dbraw/zinc/39/30/83/1218393083.db2.gz SUTRFOZFOZMYQP-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC001049538839 1218480648 /nfs/dbraw/zinc/48/06/48/1218480648.db2.gz ZSNOTYVIRUOSJP-JHNDHUHGSA-N 2 2 355.446 0.870 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC001049538839 1218480654 /nfs/dbraw/zinc/48/06/54/1218480654.db2.gz ZSNOTYVIRUOSJP-JHNDHUHGSA-N 2 2 355.446 0.870 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)NC1CC1 ZINC001097444719 1218806597 /nfs/dbraw/zinc/80/65/97/1218806597.db2.gz DVEUEMPBGJDOJY-OIISXLGYSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)NC1CC1 ZINC001097444719 1218806598 /nfs/dbraw/zinc/80/65/98/1218806598.db2.gz DVEUEMPBGJDOJY-OIISXLGYSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)N1CCC1 ZINC001097550264 1218817279 /nfs/dbraw/zinc/81/72/79/1218817279.db2.gz QZYQGMCUWANNJH-OIISXLGYSA-N 2 2 353.426 0.902 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)N1CCC1 ZINC001097550264 1218817280 /nfs/dbraw/zinc/81/72/80/1218817280.db2.gz QZYQGMCUWANNJH-OIISXLGYSA-N 2 2 353.426 0.902 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001097551484 1218817545 /nfs/dbraw/zinc/81/75/45/1218817545.db2.gz MBULNXYWTNIEMC-KFWWJZLASA-N 2 2 359.430 0.062 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001097551484 1218817546 /nfs/dbraw/zinc/81/75/46/1218817546.db2.gz MBULNXYWTNIEMC-KFWWJZLASA-N 2 2 359.430 0.062 20 0 FCADLP Cc1ccnc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736940 1218862313 /nfs/dbraw/zinc/86/23/13/1218862313.db2.gz UMVUCTQODYUKQT-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1ccnc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736940 1218862315 /nfs/dbraw/zinc/86/23/15/1218862315.db2.gz UMVUCTQODYUKQT-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001052937239 1218868284 /nfs/dbraw/zinc/86/82/84/1218868284.db2.gz ASORUONAWHCIKL-UKRRQHHQSA-N 2 2 371.489 0.894 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226697117 1225852625 /nfs/dbraw/zinc/85/26/25/1225852625.db2.gz RWGOBFONWRXJMN-IAGOWNOFSA-N 2 2 365.478 0.512 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226697117 1225852629 /nfs/dbraw/zinc/85/26/29/1225852629.db2.gz RWGOBFONWRXJMN-IAGOWNOFSA-N 2 2 365.478 0.512 20 0 FCADLP COc1ncc(F)cc1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277166391 1225857988 /nfs/dbraw/zinc/85/79/88/1225857988.db2.gz UWKVXRZBVSWSKZ-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001055224105 1219015155 /nfs/dbraw/zinc/01/51/55/1219015155.db2.gz BXWRALRPIZZTDH-UVQHHTHUSA-N 2 2 369.473 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001055224105 1219015159 /nfs/dbraw/zinc/01/51/59/1219015159.db2.gz BXWRALRPIZZTDH-UVQHHTHUSA-N 2 2 369.473 0.929 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227164719 1225864827 /nfs/dbraw/zinc/86/48/27/1225864827.db2.gz FIZWZTDUIIPBIY-DJIMGWMZSA-N 2 2 361.490 0.989 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001055352556 1219032030 /nfs/dbraw/zinc/03/20/30/1219032030.db2.gz UAXGVSVPNFDDOG-BMFZPTHFSA-N 2 2 369.473 0.931 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227164717 1225864976 /nfs/dbraw/zinc/86/49/76/1225864976.db2.gz FGOAUEPQHFRWIZ-ARFHVFGLSA-N 2 2 361.490 0.989 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055510558 1219062885 /nfs/dbraw/zinc/06/28/85/1219062885.db2.gz ZFECEWIIBQNCDC-OHNRDTAOSA-N 2 2 369.473 0.933 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001055510558 1219062890 /nfs/dbraw/zinc/06/28/90/1219062890.db2.gz ZFECEWIIBQNCDC-OHNRDTAOSA-N 2 2 369.473 0.933 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](n2ccnn2)C1 ZINC001070073308 1219140438 /nfs/dbraw/zinc/14/04/38/1219140438.db2.gz FHDDCBRBTZTTKX-SJORKVTESA-N 2 2 366.429 0.924 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](n2ccnn2)C1 ZINC001070073308 1219140440 /nfs/dbraw/zinc/14/04/40/1219140440.db2.gz FHDDCBRBTZTTKX-SJORKVTESA-N 2 2 366.429 0.924 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070109373 1219183875 /nfs/dbraw/zinc/18/38/75/1219183875.db2.gz ULGZBXWGCZAALK-OAGGEKHMSA-N 2 2 359.434 0.085 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070109373 1219183881 /nfs/dbraw/zinc/18/38/81/1219183881.db2.gz ULGZBXWGCZAALK-OAGGEKHMSA-N 2 2 359.434 0.085 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158469 1219245150 /nfs/dbraw/zinc/24/51/50/1219245150.db2.gz LTHRNQSBUMENFB-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158469 1219245156 /nfs/dbraw/zinc/24/51/56/1219245156.db2.gz LTHRNQSBUMENFB-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070185219 1219277783 /nfs/dbraw/zinc/27/77/83/1219277783.db2.gz JXFWBWLUVPKYOI-ZNMIVQPWSA-N 2 2 359.434 0.012 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070209027 1219294592 /nfs/dbraw/zinc/29/45/92/1219294592.db2.gz JHUJZIXBLHEJSD-PMPSAXMXSA-N 2 2 359.434 0.148 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217917 1219300601 /nfs/dbraw/zinc/30/06/01/1219300601.db2.gz YQYZVLOAVXVQKC-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220027 1219302055 /nfs/dbraw/zinc/30/20/55/1219302055.db2.gz YDPCQMFXOPYALZ-UAGQMJEPSA-N 2 2 355.446 0.489 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220480 1219302944 /nfs/dbraw/zinc/30/29/44/1219302944.db2.gz HPJILUNGEABYGK-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070234686 1219310645 /nfs/dbraw/zinc/31/06/45/1219310645.db2.gz BREYIXJYXHUZLR-ZBFHGGJFSA-N 2 2 361.425 0.365 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070302618 1219361220 /nfs/dbraw/zinc/36/12/20/1219361220.db2.gz BHOHLVKBXGVOKF-ZNMIVQPWSA-N 2 2 359.434 0.155 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)co1 ZINC001070327206 1219378125 /nfs/dbraw/zinc/37/81/25/1219378125.db2.gz XTJLRYXRENKTEG-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)co1 ZINC001070327206 1219378129 /nfs/dbraw/zinc/37/81/29/1219378129.db2.gz XTJLRYXRENKTEG-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070328099 1219378782 /nfs/dbraw/zinc/37/87/82/1219378782.db2.gz NTWLLHIIUUQJOK-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839532 1225888013 /nfs/dbraw/zinc/88/80/13/1225888013.db2.gz DZBMJHNVESKYMJ-IAGOWNOFSA-N 2 2 365.478 0.443 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)C1 ZINC001070525919 1219453477 /nfs/dbraw/zinc/45/34/77/1219453477.db2.gz HHAAJNHDXDJORR-UAGQMJEPSA-N 2 2 367.469 0.383 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)C1 ZINC001070525919 1219453479 /nfs/dbraw/zinc/45/34/79/1219453479.db2.gz HHAAJNHDXDJORR-UAGQMJEPSA-N 2 2 367.469 0.383 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCF ZINC001070661884 1219512947 /nfs/dbraw/zinc/51/29/47/1219512947.db2.gz GQYBSJGAUPRMPR-NUEKZKHPSA-N 2 2 360.437 0.733 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cncs1 ZINC001070695105 1219529506 /nfs/dbraw/zinc/52/95/06/1219529506.db2.gz OWQNZZWNYLYDME-HUUCEWRRSA-N 2 2 371.470 0.927 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(N)=O ZINC001071091542 1219604270 /nfs/dbraw/zinc/60/42/70/1219604270.db2.gz KDRLOJKJVQOETE-INMHGKMJSA-N 2 2 363.462 0.202 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001071204481 1219610511 /nfs/dbraw/zinc/61/05/11/1219610511.db2.gz PGVASGIUBHPXMO-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071364753 1219614932 /nfs/dbraw/zinc/61/49/32/1219614932.db2.gz PABMYSZTWPFEAX-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071364753 1219614937 /nfs/dbraw/zinc/61/49/37/1219614937.db2.gz PABMYSZTWPFEAX-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC001073062304 1219634441 /nfs/dbraw/zinc/63/44/41/1219634441.db2.gz SSZAOKGBCLIKJY-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC001073062304 1219634445 /nfs/dbraw/zinc/63/44/45/1219634445.db2.gz SSZAOKGBCLIKJY-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001074895730 1219729793 /nfs/dbraw/zinc/72/97/93/1219729793.db2.gz KTXUTRJLHNFDMP-YJNKXOJESA-N 2 2 360.462 0.128 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001098439747 1219781014 /nfs/dbraw/zinc/78/10/14/1219781014.db2.gz IKEXHPLYPHTGRE-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001098439747 1219781016 /nfs/dbraw/zinc/78/10/16/1219781016.db2.gz IKEXHPLYPHTGRE-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)C1 ZINC001098439747 1219781021 /nfs/dbraw/zinc/78/10/21/1219781021.db2.gz IKEXHPLYPHTGRE-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)C1 ZINC001098439747 1219781023 /nfs/dbraw/zinc/78/10/23/1219781023.db2.gz IKEXHPLYPHTGRE-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC2(CC[NH+](CCCO)CC2)O1 ZINC001098609395 1219805346 /nfs/dbraw/zinc/80/53/46/1219805346.db2.gz BCTRHOXINFBQAB-BZUAXINKSA-N 2 2 362.474 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC2(CC[NH+](CCCO)CC2)O1 ZINC001098609395 1219805347 /nfs/dbraw/zinc/80/53/47/1219805347.db2.gz BCTRHOXINFBQAB-BZUAXINKSA-N 2 2 362.474 0.978 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001098910624 1219859608 /nfs/dbraw/zinc/85/96/08/1219859608.db2.gz KYPQZFQMKNCPMY-DOXZYTNZSA-N 2 2 359.474 0.504 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001098910624 1219859610 /nfs/dbraw/zinc/85/96/10/1219859610.db2.gz KYPQZFQMKNCPMY-DOXZYTNZSA-N 2 2 359.474 0.504 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001233 1219885881 /nfs/dbraw/zinc/88/58/81/1219885881.db2.gz DCDDLHARJRVIMR-DOXZYTNZSA-N 2 2 359.474 0.471 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001233 1219885882 /nfs/dbraw/zinc/88/58/82/1219885882.db2.gz DCDDLHARJRVIMR-DOXZYTNZSA-N 2 2 359.474 0.471 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099120511 1219919912 /nfs/dbraw/zinc/91/99/12/1219919912.db2.gz CFJUWAQONKANEB-TYILLQQXSA-N 2 2 359.474 0.600 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099120511 1219919916 /nfs/dbraw/zinc/91/99/16/1219919916.db2.gz CFJUWAQONKANEB-TYILLQQXSA-N 2 2 359.474 0.600 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120711 1219920123 /nfs/dbraw/zinc/92/01/23/1219920123.db2.gz HFHLASVUDQXPNG-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120711 1219920126 /nfs/dbraw/zinc/92/01/26/1219920126.db2.gz HFHLASVUDQXPNG-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3ncnn3C)C2)CC[N@@H+]1C ZINC001099254888 1219957691 /nfs/dbraw/zinc/95/76/91/1219957691.db2.gz ZMVBLTNUJUKYGD-FDYHWXHSSA-N 2 2 374.411 0.634 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3ncnn3C)C2)CC[N@H+]1C ZINC001099254888 1219957694 /nfs/dbraw/zinc/95/76/94/1219957694.db2.gz ZMVBLTNUJUKYGD-FDYHWXHSSA-N 2 2 374.411 0.634 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001099254572 1219958164 /nfs/dbraw/zinc/95/81/64/1219958164.db2.gz MLKGAPILTGETRG-FMKGYKFTSA-N 2 2 374.411 0.634 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001099254572 1219958166 /nfs/dbraw/zinc/95/81/66/1219958166.db2.gz MLKGAPILTGETRG-FMKGYKFTSA-N 2 2 374.411 0.634 20 0 FCADLP Cc1noc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)n1 ZINC001099404079 1219983683 /nfs/dbraw/zinc/98/36/83/1219983683.db2.gz UXOYNHRHRIBADR-MPGHIAIKSA-N 2 2 363.462 0.427 20 0 FCADLP Cc1noc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001099404079 1219983685 /nfs/dbraw/zinc/98/36/85/1219983685.db2.gz UXOYNHRHRIBADR-MPGHIAIKSA-N 2 2 363.462 0.427 20 0 FCADLP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2[nH]cc[nH+]2)C3)C1=O ZINC001099426431 1219990943 /nfs/dbraw/zinc/99/09/43/1219990943.db2.gz VSDUXLJXWIFCGD-KHYOSLBOSA-N 2 2 359.474 0.791 20 0 FCADLP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001099472928 1220007537 /nfs/dbraw/zinc/00/75/37/1220007537.db2.gz NZEQWHKQXAXGRM-BXWFABGCSA-N 2 2 359.474 0.722 20 0 FCADLP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001099526061 1220023577 /nfs/dbraw/zinc/02/35/77/1220023577.db2.gz HAVMCKPLWPNIFH-KSSFIOAISA-N 2 2 357.462 0.510 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099533534 1220025411 /nfs/dbraw/zinc/02/54/11/1220025411.db2.gz UYQDSIHHLJGQPW-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187774 1220216741 /nfs/dbraw/zinc/21/67/41/1220216741.db2.gz WROSQJGKBXNKMJ-CLCXKQKWSA-N 2 2 366.506 0.012 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187774 1220216746 /nfs/dbraw/zinc/21/67/46/1220216746.db2.gz WROSQJGKBXNKMJ-CLCXKQKWSA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187774 1220216750 /nfs/dbraw/zinc/21/67/50/1220216750.db2.gz WROSQJGKBXNKMJ-CLCXKQKWSA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187774 1220216755 /nfs/dbraw/zinc/21/67/55/1220216755.db2.gz WROSQJGKBXNKMJ-CLCXKQKWSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001101257027 1220249992 /nfs/dbraw/zinc/24/99/92/1220249992.db2.gz DKSJGJQKAGOGAS-RKVPGOIHSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001101257027 1220249996 /nfs/dbraw/zinc/24/99/96/1220249996.db2.gz DKSJGJQKAGOGAS-RKVPGOIHSA-N 2 2 366.485 0.775 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101278420 1220263949 /nfs/dbraw/zinc/26/39/49/1220263949.db2.gz IKUXVRGRJXBKFE-BEFAXECRSA-N 2 2 358.442 0.966 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101278420 1220263953 /nfs/dbraw/zinc/26/39/53/1220263953.db2.gz IKUXVRGRJXBKFE-BEFAXECRSA-N 2 2 358.442 0.966 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1C ZINC001101341646 1220294755 /nfs/dbraw/zinc/29/47/55/1220294755.db2.gz NOXLDAPDTAOSCW-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1C ZINC001101341646 1220294759 /nfs/dbraw/zinc/29/47/59/1220294759.db2.gz NOXLDAPDTAOSCW-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367633 1220304284 /nfs/dbraw/zinc/30/42/84/1220304284.db2.gz CWWKSJCXYSRVIB-NLDJYOPPSA-N 2 2 373.501 0.830 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367633 1220304287 /nfs/dbraw/zinc/30/42/87/1220304287.db2.gz CWWKSJCXYSRVIB-NLDJYOPPSA-N 2 2 373.501 0.830 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375578 1220308165 /nfs/dbraw/zinc/30/81/65/1220308165.db2.gz ZIGOHPLNCGSABL-KHYOSLBOSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375578 1220308170 /nfs/dbraw/zinc/30/81/70/1220308170.db2.gz ZIGOHPLNCGSABL-KHYOSLBOSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375530 1220308228 /nfs/dbraw/zinc/30/82/28/1220308228.db2.gz XRPBTBXLKACTSK-KUHUBIRLSA-N 2 2 361.490 0.895 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375530 1220308234 /nfs/dbraw/zinc/30/82/34/1220308234.db2.gz XRPBTBXLKACTSK-KUHUBIRLSA-N 2 2 361.490 0.895 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404932 1220325902 /nfs/dbraw/zinc/32/59/02/1220325902.db2.gz YRJRWCYLDAKELV-KHYOSLBOSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404932 1220325905 /nfs/dbraw/zinc/32/59/05/1220325905.db2.gz YRJRWCYLDAKELV-KHYOSLBOSA-N 2 2 361.490 0.988 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430311 1220340174 /nfs/dbraw/zinc/34/01/74/1220340174.db2.gz YMEVCGOXKDSKDG-CLCXKQKWSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430311 1220340176 /nfs/dbraw/zinc/34/01/76/1220340176.db2.gz YMEVCGOXKDSKDG-CLCXKQKWSA-N 2 2 361.490 0.658 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101444525 1220348337 /nfs/dbraw/zinc/34/83/37/1220348337.db2.gz FJDRQSZLYDVXDI-BEFAXECRSA-N 2 2 361.490 0.813 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101444525 1220348340 /nfs/dbraw/zinc/34/83/40/1220348340.db2.gz FJDRQSZLYDVXDI-BEFAXECRSA-N 2 2 361.490 0.813 20 0 FCADLP 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Cc1nc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)no1 ZINC001102468458 1220638673 /nfs/dbraw/zinc/63/86/73/1220638673.db2.gz JSDSMRQJOJDAQS-IIAWOOMASA-N 2 2 365.478 0.845 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540326 1220688992 /nfs/dbraw/zinc/68/89/92/1220688992.db2.gz JTKQUWCMPSVAAP-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540326 1220688996 /nfs/dbraw/zinc/68/89/96/1220688996.db2.gz JTKQUWCMPSVAAP-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102603195 1220724370 /nfs/dbraw/zinc/72/43/70/1220724370.db2.gz UQFASVYTRRHPIV-KBAYOESNSA-N 2 2 371.489 0.660 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102603195 1220724379 /nfs/dbraw/zinc/72/43/79/1220724379.db2.gz UQFASVYTRRHPIV-KBAYOESNSA-N 2 2 371.489 0.660 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001102603196 1220724908 /nfs/dbraw/zinc/72/49/08/1220724908.db2.gz UQFASVYTRRHPIV-NXHRZFHOSA-N 2 2 371.489 0.660 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001102603196 1220724913 /nfs/dbraw/zinc/72/49/13/1220724913.db2.gz UQFASVYTRRHPIV-NXHRZFHOSA-N 2 2 371.489 0.660 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103586 1220834125 /nfs/dbraw/zinc/83/41/25/1220834125.db2.gz OPGNYUWIYKPJNN-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103586 1220834126 /nfs/dbraw/zinc/83/41/26/1220834126.db2.gz OPGNYUWIYKPJNN-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103586 1220834127 /nfs/dbraw/zinc/83/41/27/1220834127.db2.gz OPGNYUWIYKPJNN-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103586 1220834129 /nfs/dbraw/zinc/83/41/29/1220834129.db2.gz OPGNYUWIYKPJNN-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103163067 1220842284 /nfs/dbraw/zinc/84/22/84/1220842284.db2.gz VYDUJHHUWILLIS-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103163067 1220842286 /nfs/dbraw/zinc/84/22/86/1220842286.db2.gz VYDUJHHUWILLIS-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290135 1220861004 /nfs/dbraw/zinc/86/10/04/1220861004.db2.gz ABSPFJJNDMDIGY-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290135 1220861008 /nfs/dbraw/zinc/86/10/08/1220861008.db2.gz ABSPFJJNDMDIGY-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)no1 ZINC001229301796 1225998184 /nfs/dbraw/zinc/99/81/84/1225998184.db2.gz XTQLXRLGRQXVJV-CHWSQXEVSA-N 2 2 360.418 0.904 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103452005 1220885660 /nfs/dbraw/zinc/88/56/60/1220885660.db2.gz HGHVZDLGUMKWCW-QBPKDAKJSA-N 2 2 364.490 0.607 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103452005 1220885663 /nfs/dbraw/zinc/88/56/63/1220885663.db2.gz HGHVZDLGUMKWCW-QBPKDAKJSA-N 2 2 364.490 0.607 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451960 1220885959 /nfs/dbraw/zinc/88/59/59/1220885959.db2.gz FAPLDHAZJBZIEL-MUIFIZLQSA-N 2 2 373.501 0.876 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451960 1220885961 /nfs/dbraw/zinc/88/59/61/1220885961.db2.gz FAPLDHAZJBZIEL-MUIFIZLQSA-N 2 2 373.501 0.876 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643877 1220926010 /nfs/dbraw/zinc/92/60/10/1220926010.db2.gz USIJHVVPOPZUKP-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643877 1220926014 /nfs/dbraw/zinc/92/60/14/1220926014.db2.gz USIJHVVPOPZUKP-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643751 1220926367 /nfs/dbraw/zinc/92/63/67/1220926367.db2.gz OZVHYFWVXIVJFI-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643751 1220926372 /nfs/dbraw/zinc/92/63/72/1220926372.db2.gz OZVHYFWVXIVJFI-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1 ZINC001104033711 1221001389 /nfs/dbraw/zinc/00/13/89/1221001389.db2.gz DLCYYADIBKGZHO-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1 ZINC001104033711 1221001394 /nfs/dbraw/zinc/00/13/94/1221001394.db2.gz DLCYYADIBKGZHO-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034249 1221001508 /nfs/dbraw/zinc/00/15/08/1221001508.db2.gz ZVOSALOJKBEDEM-KYJSFNMBSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034249 1221001513 /nfs/dbraw/zinc/00/15/13/1221001513.db2.gz ZVOSALOJKBEDEM-KYJSFNMBSA-N 2 2 361.490 0.690 20 0 FCADLP COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033833 1221001788 /nfs/dbraw/zinc/00/17/88/1221001788.db2.gz JABZINYNJFAHHY-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033833 1221001792 /nfs/dbraw/zinc/00/17/92/1221001792.db2.gz JABZINYNJFAHHY-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001229471699 1226013810 /nfs/dbraw/zinc/01/38/10/1226013810.db2.gz CHSGKIBFYKPTCA-HUUCEWRRSA-N 2 2 356.430 0.644 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001111824865 1221127041 /nfs/dbraw/zinc/12/70/41/1221127041.db2.gz ADZNFAUJTODPJB-FCEWJHQRSA-N 2 2 359.474 0.865 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001111824865 1221127045 /nfs/dbraw/zinc/12/70/45/1221127045.db2.gz ADZNFAUJTODPJB-FCEWJHQRSA-N 2 2 359.474 0.865 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111826489 1221128235 /nfs/dbraw/zinc/12/82/35/1221128235.db2.gz LKYOCSFKICGLDR-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111826489 1221128239 /nfs/dbraw/zinc/12/82/39/1221128239.db2.gz LKYOCSFKICGLDR-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111876943 1221146160 /nfs/dbraw/zinc/14/61/60/1221146160.db2.gz LURFVGFEGCKGOY-MKSNKDDYSA-N 2 2 362.474 0.503 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111876943 1221146162 /nfs/dbraw/zinc/14/61/62/1221146162.db2.gz LURFVGFEGCKGOY-MKSNKDDYSA-N 2 2 362.474 0.503 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001112021270 1221203220 /nfs/dbraw/zinc/20/32/20/1221203220.db2.gz DGVKHINQBXYNPD-KXBFYZLASA-N 2 2 359.474 0.913 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001112021270 1221203224 /nfs/dbraw/zinc/20/32/24/1221203224.db2.gz DGVKHINQBXYNPD-KXBFYZLASA-N 2 2 359.474 0.913 20 0 FCADLP CN(C(=O)/C=C/c1ccc[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000783613037 1221213807 /nfs/dbraw/zinc/21/38/07/1221213807.db2.gz PDQTZRHQLIXFAJ-AATRIKPKSA-N 2 2 373.501 0.725 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3nncn3C)CCCCC2)O1 ZINC001115593167 1221316610 /nfs/dbraw/zinc/31/66/10/1221316610.db2.gz AKDSYGXHGSZJEW-HUUCEWRRSA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3nncn3C)CCCCC2)O1 ZINC001115593167 1221316614 /nfs/dbraw/zinc/31/66/14/1221316614.db2.gz AKDSYGXHGSZJEW-HUUCEWRRSA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)n1cc[nH+]c1 ZINC001116369260 1221357527 /nfs/dbraw/zinc/35/75/27/1221357527.db2.gz HEHDGLWOKIRWGF-RDJZCZTQSA-N 2 2 357.458 0.849 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001229933179 1226040390 /nfs/dbraw/zinc/04/03/90/1226040390.db2.gz JJJCBZAIKAYBTH-ZIAGYGMSSA-N 2 2 371.445 0.706 20 0 FCADLP COCCCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001117136918 1221477918 /nfs/dbraw/zinc/47/79/18/1221477918.db2.gz ROYZTHMUTHLFTK-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001117326092 1221519323 /nfs/dbraw/zinc/51/93/23/1221519323.db2.gz OOZULPBXTXDPGH-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001117326092 1221519329 /nfs/dbraw/zinc/51/93/29/1221519329.db2.gz OOZULPBXTXDPGH-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H]1C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC001117629580 1221594304 /nfs/dbraw/zinc/59/43/04/1221594304.db2.gz MIOPXDRLKZJIJZ-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]1C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC001117629580 1221594310 /nfs/dbraw/zinc/59/43/10/1221594310.db2.gz MIOPXDRLKZJIJZ-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC001118164565 1221722950 /nfs/dbraw/zinc/72/29/50/1221722950.db2.gz SSKOVDOZVZZACI-AWEZNQCLSA-N 2 2 358.402 0.180 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH]n1 ZINC001118202347 1221732653 /nfs/dbraw/zinc/73/26/53/1221732653.db2.gz VRCSUIZSEZCJPT-LQDVMPOASA-N 2 2 363.462 0.760 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH]n1 ZINC001118202347 1221732659 /nfs/dbraw/zinc/73/26/59/1221732659.db2.gz VRCSUIZSEZCJPT-LQDVMPOASA-N 2 2 363.462 0.760 20 0 FCADLP CN(C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118319867 1221758069 /nfs/dbraw/zinc/75/80/69/1221758069.db2.gz RFGJJWNDBXLAGJ-KFWWJZLASA-N 2 2 370.444 0.337 20 0 FCADLP CN(C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118319867 1221758073 /nfs/dbraw/zinc/75/80/73/1221758073.db2.gz RFGJJWNDBXLAGJ-KFWWJZLASA-N 2 2 370.444 0.337 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001118328599 1221760989 /nfs/dbraw/zinc/76/09/89/1221760989.db2.gz MEHZVNHWAYLYMB-VPWXQRGCSA-N 2 2 356.470 0.877 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001118328599 1221760992 /nfs/dbraw/zinc/76/09/92/1221760992.db2.gz MEHZVNHWAYLYMB-VPWXQRGCSA-N 2 2 356.470 0.877 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001230344232 1226075546 /nfs/dbraw/zinc/07/55/46/1226075546.db2.gz KCQWKDFNUSZECA-KFWWJZLASA-N 2 2 361.446 0.486 20 0 FCADLP CN(CC1(C)COC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118822489 1221832869 /nfs/dbraw/zinc/83/28/69/1221832869.db2.gz JZROZLFMKFLNMJ-INIZCTEOSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC1(C)COC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118822489 1221832870 /nfs/dbraw/zinc/83/28/70/1221832870.db2.gz JZROZLFMKFLNMJ-INIZCTEOSA-N 2 2 366.506 0.108 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC001230348039 1226076962 /nfs/dbraw/zinc/07/69/62/1226076962.db2.gz QXMLSLKQBZMYHM-ARFHVFGLSA-N 2 2 363.462 0.195 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC001119290186 1221897341 /nfs/dbraw/zinc/89/73/41/1221897341.db2.gz QZZLPFMYXPVLKE-NVXWUHKLSA-N 2 2 360.458 0.078 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001119369109 1221908166 /nfs/dbraw/zinc/90/81/66/1221908166.db2.gz SEGCGLOAPIKHSK-HDICACEKSA-N 2 2 358.486 0.747 20 0 FCADLP c1ccn2c(c1)nnc2CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001120042855 1222012685 /nfs/dbraw/zinc/01/26/85/1222012685.db2.gz BKJAJEAXGSUHHC-UHFFFAOYSA-N 2 2 358.490 0.658 20 0 FCADLP Cn1ccc(-c2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)no2)n1 ZINC001120604288 1222108608 /nfs/dbraw/zinc/10/86/08/1222108608.db2.gz GZTHTECJWAVPRV-ZDUSSCGKSA-N 2 2 358.446 0.973 20 0 FCADLP Cn1ccc(-c2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)no2)n1 ZINC001120604288 1222108609 /nfs/dbraw/zinc/10/86/09/1222108609.db2.gz GZTHTECJWAVPRV-ZDUSSCGKSA-N 2 2 358.446 0.973 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(-c4nc[nH]n4)n3C)CC2)CC1 ZINC001121296267 1222161191 /nfs/dbraw/zinc/16/11/91/1222161191.db2.gz GYWGAKLKWBYCSB-UHFFFAOYSA-N 2 2 359.482 0.597 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(-c4nc[nH]n4)n3C)CC2)CC1 ZINC001121296267 1222161196 /nfs/dbraw/zinc/16/11/96/1222161196.db2.gz GYWGAKLKWBYCSB-UHFFFAOYSA-N 2 2 359.482 0.597 20 0 FCADLP C[C@@H]1Cn2nc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2C[NH2+]1 ZINC001122009979 1222233683 /nfs/dbraw/zinc/23/36/83/1222233683.db2.gz YOTDUKOCKJDNQQ-CQSZACIVSA-N 2 2 369.473 0.452 20 0 FCADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001122748683 1222293467 /nfs/dbraw/zinc/29/34/67/1222293467.db2.gz XNKNBVYJCMMABT-BPLDGKMQSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001122748683 1222293471 /nfs/dbraw/zinc/29/34/71/1222293471.db2.gz XNKNBVYJCMMABT-BPLDGKMQSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001122834495 1222299812 /nfs/dbraw/zinc/29/98/12/1222299812.db2.gz AOKDWWJINYVZPS-QLFBSQMISA-N 2 2 365.478 0.517 20 0 FCADLP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001122834495 1222299815 /nfs/dbraw/zinc/29/98/15/1222299815.db2.gz AOKDWWJINYVZPS-QLFBSQMISA-N 2 2 365.478 0.517 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123506143 1222336326 /nfs/dbraw/zinc/33/63/26/1222336326.db2.gz VPEMAXGVQVMBHA-SZMVWBNQSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123506143 1222336330 /nfs/dbraw/zinc/33/63/30/1222336330.db2.gz VPEMAXGVQVMBHA-SZMVWBNQSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123506142 1222336665 /nfs/dbraw/zinc/33/66/65/1222336665.db2.gz VPEMAXGVQVMBHA-RYQLBKOJSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123506142 1222336669 /nfs/dbraw/zinc/33/66/69/1222336669.db2.gz VPEMAXGVQVMBHA-RYQLBKOJSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123632087 1222345882 /nfs/dbraw/zinc/34/58/82/1222345882.db2.gz YNWOTZWMBKSUBL-MLHJIOFPSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123632087 1222345886 /nfs/dbraw/zinc/34/58/86/1222345886.db2.gz YNWOTZWMBKSUBL-MLHJIOFPSA-N 2 2 367.538 0.563 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cn4ccncc4n3)CC[C@@H]2C1 ZINC001139695813 1222555667 /nfs/dbraw/zinc/55/56/67/1222555667.db2.gz XWAZAWRXSPHOFT-NVXWUHKLSA-N 2 2 372.473 0.340 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cn4ccncc4n3)CC[C@@H]2C1 ZINC001139695813 1222555670 /nfs/dbraw/zinc/55/56/70/1222555670.db2.gz XWAZAWRXSPHOFT-NVXWUHKLSA-N 2 2 372.473 0.340 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cn4ccncc4n3)CC[C@@H]2C1 ZINC001139695813 1222555671 /nfs/dbraw/zinc/55/56/71/1222555671.db2.gz XWAZAWRXSPHOFT-NVXWUHKLSA-N 2 2 372.473 0.340 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cn4ccncc4n3)CC[C@@H]2C1 ZINC001139695813 1222555673 /nfs/dbraw/zinc/55/56/73/1222555673.db2.gz XWAZAWRXSPHOFT-NVXWUHKLSA-N 2 2 372.473 0.340 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2nccnc2N)CC3)CC1 ZINC001140015362 1222564490 /nfs/dbraw/zinc/56/44/90/1222564490.db2.gz YJWHCKMOYWKUGT-UHFFFAOYSA-N 2 2 354.462 0.201 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2nccnc2N)CC3)CC1 ZINC001140015362 1222564493 /nfs/dbraw/zinc/56/44/93/1222564493.db2.gz YJWHCKMOYWKUGT-UHFFFAOYSA-N 2 2 354.462 0.201 20 0 FCADLP COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001232364599 1226149207 /nfs/dbraw/zinc/14/92/07/1226149207.db2.gz WUAGWGLKFRQTNB-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000842149010 1222837259 /nfs/dbraw/zinc/83/72/59/1222837259.db2.gz SDOFYNHPEKTJHB-RRFJBIMHSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@H]1[NH3+] ZINC000842194291 1222840240 /nfs/dbraw/zinc/84/02/40/1222840240.db2.gz CSLCWHRIOPFFKU-RDTXWAMCSA-N 2 2 373.501 0.643 20 0 FCADLP CCCCCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477193 1222848219 /nfs/dbraw/zinc/84/82/19/1222848219.db2.gz NWKAAZOUYXVPGH-SJORKVTESA-N 2 2 365.522 0.903 20 0 FCADLP CCCCCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477193 1222848223 /nfs/dbraw/zinc/84/82/23/1222848223.db2.gz NWKAAZOUYXVPGH-SJORKVTESA-N 2 2 365.522 0.903 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@]4(F)CC[NH2+]C4)n3)cn2)CC1 ZINC000843207343 1222860930 /nfs/dbraw/zinc/86/09/30/1222860930.db2.gz YURFYZBJWOWUTI-KRWDZBQOSA-N 2 2 360.393 0.677 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000843357946 1222872566 /nfs/dbraw/zinc/87/25/66/1222872566.db2.gz YGBQCBBTLJAJCH-UHFFFAOYSA-N 2 2 361.490 0.299 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000843357946 1222872567 /nfs/dbraw/zinc/87/25/67/1222872567.db2.gz YGBQCBBTLJAJCH-UHFFFAOYSA-N 2 2 361.490 0.299 20 0 FCADLP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610199 1223079385 /nfs/dbraw/zinc/07/93/85/1223079385.db2.gz SQYVIDDVMZVFOP-WEBJUUICSA-N 2 2 356.470 0.174 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001158000563 1223086745 /nfs/dbraw/zinc/08/67/45/1223086745.db2.gz YSLWWDRQPWHIPW-INIZCTEOSA-N 2 2 360.458 0.357 20 0 FCADLP COc1cc(C)nc(N2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC2)n1 ZINC001158075642 1223087966 /nfs/dbraw/zinc/08/79/66/1223087966.db2.gz MAADWHORGJCXFV-UHFFFAOYSA-N 2 2 369.473 0.925 20 0 FCADLP CCOC(=O)[C@H]1CCCN(c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nn2)C1 ZINC001158209606 1223091401 /nfs/dbraw/zinc/09/14/01/1223091401.db2.gz ZSQBNMCTFFLXEO-UONOGXRCSA-N 2 2 374.445 0.304 20 0 FCADLP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158249622 1223091800 /nfs/dbraw/zinc/09/18/00/1223091800.db2.gz NGCCQSSODDVSED-HZPDHXFCSA-N 2 2 361.490 0.776 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001158249820 1223091821 /nfs/dbraw/zinc/09/18/21/1223091821.db2.gz OQPIIVZXMSOHSF-GDBMZVCRSA-N 2 2 359.474 0.528 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001158260636 1223092424 /nfs/dbraw/zinc/09/24/24/1223092424.db2.gz GNNVLXSOXTXMRF-OAHLLOKOSA-N 3 2 358.490 0.129 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001158260636 1223092427 /nfs/dbraw/zinc/09/24/27/1223092427.db2.gz GNNVLXSOXTXMRF-OAHLLOKOSA-N 3 2 358.490 0.129 20 0 FCADLP CCc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001158261660 1223092449 /nfs/dbraw/zinc/09/24/49/1223092449.db2.gz ONSANSLHKKRMAP-HNNXBMFYSA-N 3 2 360.506 0.877 20 0 FCADLP CCc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001158261660 1223092453 /nfs/dbraw/zinc/09/24/53/1223092453.db2.gz ONSANSLHKKRMAP-HNNXBMFYSA-N 3 2 360.506 0.877 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2noc(C3CCOCC3)n2)CC[N@@H+]1C ZINC001158381068 1223096157 /nfs/dbraw/zinc/09/61/57/1223096157.db2.gz XDSYYKAVNJWDMA-UKRRQHHQSA-N 2 2 365.478 0.900 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2noc(C3CCOCC3)n2)CC[N@H+]1C ZINC001158381068 1223096161 /nfs/dbraw/zinc/09/61/61/1223096161.db2.gz XDSYYKAVNJWDMA-UKRRQHHQSA-N 2 2 365.478 0.900 20 0 FCADLP O=C(N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158602006 1223103229 /nfs/dbraw/zinc/10/32/29/1223103229.db2.gz ULPFOPLLGARRAY-DJJJIMSYSA-N 2 2 355.442 0.857 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158680278 1223104806 /nfs/dbraw/zinc/10/48/06/1223104806.db2.gz BKSAIUUKMQDXTJ-KCTOORRSSA-N 2 2 372.469 0.307 20 0 FCADLP O=C(N1CCC2(CCCN2c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158758985 1223107130 /nfs/dbraw/zinc/10/71/30/1223107130.db2.gz GPGCMVITRSDRJC-BEFAXECRSA-N 2 2 356.474 0.390 20 0 FCADLP CCOC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)Cc2nn(CC3CC3)cc21 ZINC001158797927 1223110044 /nfs/dbraw/zinc/11/00/44/1223110044.db2.gz DXRXOQDMYFCKBN-YRNRMSPPSA-N 2 2 373.501 0.707 20 0 FCADLP CC(C)OCc1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001159006479 1223115243 /nfs/dbraw/zinc/11/52/43/1223115243.db2.gz UUIKSSFNHWVGLL-ZBFHGGJFSA-N 2 2 361.490 0.792 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CC3CCC3)C2)C1 ZINC001159126268 1223117797 /nfs/dbraw/zinc/11/77/97/1223117797.db2.gz NFIWNPCGRNEILW-LPHOPBHVSA-N 2 2 366.506 0.191 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CC3CCC3)C2)C1 ZINC001159126268 1223117799 /nfs/dbraw/zinc/11/77/99/1223117799.db2.gz NFIWNPCGRNEILW-LPHOPBHVSA-N 2 2 366.506 0.191 20 0 FCADLP [NH3+][C@H](C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192897 1223120084 /nfs/dbraw/zinc/12/00/84/1223120084.db2.gz YTVPLRDKUYGIKB-YJBOKZPZSA-N 3 2 361.490 0.595 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001159471612 1223127768 /nfs/dbraw/zinc/12/77/68/1223127768.db2.gz ITSPYPJFCXZIIM-NMDDUFOESA-N 3 2 362.518 0.143 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001159471612 1223127770 /nfs/dbraw/zinc/12/77/70/1223127770.db2.gz ITSPYPJFCXZIIM-NMDDUFOESA-N 3 2 362.518 0.143 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159585921 1223130328 /nfs/dbraw/zinc/13/03/28/1223130328.db2.gz VJXLVVQVXBIUQB-LUKYLMHMSA-N 2 2 359.474 0.218 20 0 FCADLP CC(C)(C)[C@H]([NH3+])CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633328 1223131886 /nfs/dbraw/zinc/13/18/86/1223131886.db2.gz IYWUGULYKLOISM-OAHLLOKOSA-N 2 2 372.473 0.984 20 0 FCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001159680610 1223133452 /nfs/dbraw/zinc/13/34/52/1223133452.db2.gz KNDOOSXSWQNPPP-ZBFHGGJFSA-N 2 2 372.448 0.935 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001159969985 1223141189 /nfs/dbraw/zinc/14/11/89/1223141189.db2.gz WYBLZVBHXKMNGM-CGBFIWBNSA-N 2 2 374.485 0.543 20 0 FCADLP O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159970451 1223141492 /nfs/dbraw/zinc/14/14/92/1223141492.db2.gz ZRQMOVWNTQFRSU-GKTLAZJLSA-N 2 2 372.444 0.450 20 0 FCADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001160036594 1223143470 /nfs/dbraw/zinc/14/34/70/1223143470.db2.gz SJDHIOWRNWHSSB-GOSISDBHSA-N 2 2 366.469 0.695 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001160156226 1223147137 /nfs/dbraw/zinc/14/71/37/1223147137.db2.gz OLWLHDKGORESBW-KRWDZBQOSA-N 2 2 367.453 0.761 20 0 FCADLP O=C(N1CCC2(CC1)Cc1ccccc1CNC2=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160156453 1223147198 /nfs/dbraw/zinc/14/71/98/1223147198.db2.gz PWIRVSBZPWPGQB-UWJYYQICSA-N 2 2 368.481 0.419 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160231474 1223151194 /nfs/dbraw/zinc/15/11/94/1223151194.db2.gz QVQPTIYVOJEWPL-HEHGZKQESA-N 2 2 366.416 0.087 20 0 FCADLP CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001160274322 1223152798 /nfs/dbraw/zinc/15/27/98/1223152798.db2.gz OAQSUWUZPOAXOW-BBWFWOEESA-N 2 2 356.470 0.683 20 0 FCADLP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001160323183 1223154942 /nfs/dbraw/zinc/15/49/42/1223154942.db2.gz JCYUSTJUYJKOIS-GPINWOSQSA-N 2 2 374.489 0.445 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC001160479038 1223161958 /nfs/dbraw/zinc/16/19/58/1223161958.db2.gz KXWLQCIGIJQMDT-RHSMWYFYSA-N 2 2 364.490 0.123 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CC(=O)NC3CC3)CC2)O1 ZINC001160479038 1223161962 /nfs/dbraw/zinc/16/19/62/1223161962.db2.gz KXWLQCIGIJQMDT-RHSMWYFYSA-N 2 2 364.490 0.123 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](CC(=O)NC3CC3)CC2)O1 ZINC001160479038 1223161966 /nfs/dbraw/zinc/16/19/66/1223161966.db2.gz KXWLQCIGIJQMDT-RHSMWYFYSA-N 2 2 364.490 0.123 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](CC(=O)NC3CC3)CC2)O1 ZINC001160479038 1223161970 /nfs/dbraw/zinc/16/19/70/1223161970.db2.gz KXWLQCIGIJQMDT-RHSMWYFYSA-N 2 2 364.490 0.123 20 0 FCADLP [NH3+]C1(C(=O)N2CCN(C(=O)c3c[nH]c4ccccc43)CC2)CC[NH2+]CC1 ZINC001160538003 1223164047 /nfs/dbraw/zinc/16/40/47/1223164047.db2.gz ROXRRMDBCMGKEK-UHFFFAOYSA-N 2 2 355.442 0.533 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160693708 1223168706 /nfs/dbraw/zinc/16/87/06/1223168706.db2.gz OFZOJMWOYBITEA-HOTGVXAUSA-N 2 2 355.442 0.802 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160710485 1223169221 /nfs/dbraw/zinc/16/92/21/1223169221.db2.gz NSIGBWDKVBJEAM-INIZCTEOSA-N 2 2 355.446 0.119 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160710485 1223169224 /nfs/dbraw/zinc/16/92/24/1223169224.db2.gz NSIGBWDKVBJEAM-INIZCTEOSA-N 2 2 355.446 0.119 20 0 FCADLP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C1)C2 ZINC001160777917 1223172041 /nfs/dbraw/zinc/17/20/41/1223172041.db2.gz JZEWDMHUFOBRSO-HSSOGYSNSA-N 2 2 357.454 0.655 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CCc3ccc(N)[nH+]c3)C[C@H]1C2 ZINC001160794154 1223173123 /nfs/dbraw/zinc/17/31/23/1223173123.db2.gz LSEZBQQPNYRERV-GJRWTSMGSA-N 2 2 358.442 0.454 20 0 FCADLP CN(C(=O)CN1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001160894314 1223179462 /nfs/dbraw/zinc/17/94/62/1223179462.db2.gz JNTGFXCTIJFINS-QGZVFWFLSA-N 2 2 370.457 0.087 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902028 1223180143 /nfs/dbraw/zinc/18/01/43/1223180143.db2.gz JTXCZZHFVCGBMI-IMSKVBIZSA-N 2 2 371.489 0.491 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902028 1223180144 /nfs/dbraw/zinc/18/01/44/1223180144.db2.gz JTXCZZHFVCGBMI-IMSKVBIZSA-N 2 2 371.489 0.491 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2CC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161137504 1223186236 /nfs/dbraw/zinc/18/62/36/1223186236.db2.gz FOJBCBRKFKUUMH-MGPUTAFESA-N 2 2 357.454 0.898 20 0 FCADLP [NH3+]C1(C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001161152234 1223187945 /nfs/dbraw/zinc/18/79/45/1223187945.db2.gz CSOZQPLIMRDFHF-UHFFFAOYSA-N 3 2 372.395 0.661 20 0 FCADLP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001161153467 1223188076 /nfs/dbraw/zinc/18/80/76/1223188076.db2.gz JJDGOAMVSMIMGL-OAHLLOKOSA-N 2 2 365.430 0.188 20 0 FCADLP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161171246 1223188520 /nfs/dbraw/zinc/18/85/20/1223188520.db2.gz NSVYDDGBPPHCCR-GUTXKFCHSA-N 2 2 374.445 0.269 20 0 FCADLP CC1(C)[NH2+][C@H](C(=O)N(CCC[NH+]2CCOCC2)CC2CC[NH2+]CC2)CO1 ZINC001161197494 1223189363 /nfs/dbraw/zinc/18/93/63/1223189363.db2.gz ATDKBFCBWBTIKC-KRWDZBQOSA-N 3 2 368.522 0.261 20 0 FCADLP COC[C@H](O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252692 1223191992 /nfs/dbraw/zinc/19/19/92/1223191992.db2.gz CQECOVRGPJLXBU-BRWVUGGUSA-N 2 2 362.474 0.669 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252692 1223191995 /nfs/dbraw/zinc/19/19/95/1223191995.db2.gz CQECOVRGPJLXBU-BRWVUGGUSA-N 2 2 362.474 0.669 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252694 1223192310 /nfs/dbraw/zinc/19/23/10/1223192310.db2.gz CQECOVRGPJLXBU-GVDBMIGSSA-N 2 2 362.474 0.669 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252694 1223192313 /nfs/dbraw/zinc/19/23/13/1223192313.db2.gz CQECOVRGPJLXBU-GVDBMIGSSA-N 2 2 362.474 0.669 20 0 FCADLP CCn1c2ccccc2nc1N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161297209 1223194334 /nfs/dbraw/zinc/19/43/34/1223194334.db2.gz SZDYBBHGHLCKDV-FOIQADDNSA-N 2 2 368.485 0.656 20 0 FCADLP O=C(N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161316441 1223195990 /nfs/dbraw/zinc/19/59/90/1223195990.db2.gz KSVGXPKBRCNUCB-JZKQVHKSSA-N 2 2 372.444 0.724 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3O[C@H]3CC[NH2+]C3)C2)CC1 ZINC001161381888 1223197768 /nfs/dbraw/zinc/19/77/68/1223197768.db2.gz QQUZROOFRVBPRV-HOTGVXAUSA-N 3 2 359.474 0.460 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH2+]C4(CC4)C3)cn21 ZINC001161556821 1223203848 /nfs/dbraw/zinc/20/38/48/1223203848.db2.gz VVFRFMUVCWZMFT-OAHLLOKOSA-N 2 2 369.473 0.226 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH2+]C4(CC4)C3)cn21 ZINC001161556821 1223203850 /nfs/dbraw/zinc/20/38/50/1223203850.db2.gz VVFRFMUVCWZMFT-OAHLLOKOSA-N 2 2 369.473 0.226 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2NCN[C@@H]21 ZINC001162437280 1223215907 /nfs/dbraw/zinc/21/59/07/1223215907.db2.gz BENUJVVYYDKBKW-VAMGGRTRSA-N 2 2 365.485 0.137 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2NCN[C@@H]21 ZINC001162437280 1223215913 /nfs/dbraw/zinc/21/59/13/1223215913.db2.gz BENUJVVYYDKBKW-VAMGGRTRSA-N 2 2 365.485 0.137 20 0 FCADLP COc1ccc(C[NH+]2CCN(C)CC2)cc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163254618 1223228501 /nfs/dbraw/zinc/22/85/01/1223228501.db2.gz OPXFWDSBDJRTQA-MJGOQNOKSA-N 2 2 359.474 0.433 20 0 FCADLP NC(=O)[C@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070891 1223241243 /nfs/dbraw/zinc/24/12/43/1223241243.db2.gz CBVRJYXLFALSCE-QGZVFWFLSA-N 2 2 352.442 0.298 20 0 FCADLP NC(=O)[C@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070891 1223241246 /nfs/dbraw/zinc/24/12/46/1223241246.db2.gz CBVRJYXLFALSCE-QGZVFWFLSA-N 2 2 352.442 0.298 20 0 FCADLP NC(=O)[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070857 1223241318 /nfs/dbraw/zinc/24/13/18/1223241318.db2.gz BIHPRAUNVVZSFL-SFHVURJKSA-N 2 2 351.454 0.903 20 0 FCADLP c1cn(Cc2nnn3c2CN(c2ncnc4c2CC[NH2+]C4)CCC3)c[nH+]1 ZINC001165882494 1223260789 /nfs/dbraw/zinc/26/07/89/1223260789.db2.gz PQDYUQBMCIBCFR-UHFFFAOYSA-N 2 2 351.418 0.369 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1cccc(N)[nH+]1)CC2 ZINC001166494086 1223280020 /nfs/dbraw/zinc/28/00/20/1223280020.db2.gz VLJPDCJDBFRRKD-UHFFFAOYSA-N 2 2 366.429 0.587 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977914582 1248669575 /nfs/dbraw/zinc/66/95/75/1248669575.db2.gz CZRCYUPJTKCWGJ-RRFJBIMHSA-N 2 2 357.458 0.668 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977914582 1248669585 /nfs/dbraw/zinc/66/95/85/1248669585.db2.gz CZRCYUPJTKCWGJ-RRFJBIMHSA-N 2 2 357.458 0.668 20 0 FCADLP [NH3+]C[C@H]1CN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)CCO1 ZINC001166937502 1223289770 /nfs/dbraw/zinc/28/97/70/1223289770.db2.gz AHWSLXNXUMMEOU-ZDUSSCGKSA-N 2 2 373.438 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001206325588 1223354998 /nfs/dbraw/zinc/35/49/98/1223354998.db2.gz NHRMQHMVLDDWGS-HZPDHXFCSA-N 2 2 359.474 0.630 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3[nH+]cc4ccccn43)CC[C@@H]2C1 ZINC001207051464 1223410184 /nfs/dbraw/zinc/41/01/84/1223410184.db2.gz IBNLTCYNZQWGBP-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3[nH+]cc4ccccn43)CC[C@@H]2C1 ZINC001207051464 1223410189 /nfs/dbraw/zinc/41/01/89/1223410189.db2.gz IBNLTCYNZQWGBP-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001207262935 1223431356 /nfs/dbraw/zinc/43/13/56/1223431356.db2.gz MNEJAICRAYQYJA-DJIMGWMZSA-N 2 2 370.513 0.971 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001207262935 1223431367 /nfs/dbraw/zinc/43/13/67/1223431367.db2.gz MNEJAICRAYQYJA-DJIMGWMZSA-N 2 2 370.513 0.971 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CC(C)(C)N1CCOCC1)CCC2 ZINC001207301355 1223434033 /nfs/dbraw/zinc/43/40/33/1223434033.db2.gz FADLIRWEEPJLEF-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CC(C)(C)N1CCOCC1)CCC2 ZINC001207301355 1223434039 /nfs/dbraw/zinc/43/40/39/1223434039.db2.gz FADLIRWEEPJLEF-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)CN(CC(C)(C)[NH+]1CCOCC1)CCC2 ZINC001207301355 1223434042 /nfs/dbraw/zinc/43/40/42/1223434042.db2.gz FADLIRWEEPJLEF-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335896 1223438238 /nfs/dbraw/zinc/43/82/38/1223438238.db2.gz CVVRPQFHGHPIRP-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335896 1223438240 /nfs/dbraw/zinc/43/82/40/1223438240.db2.gz CVVRPQFHGHPIRP-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335896 1223438242 /nfs/dbraw/zinc/43/82/42/1223438242.db2.gz CVVRPQFHGHPIRP-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335896 1223438244 /nfs/dbraw/zinc/43/82/44/1223438244.db2.gz CVVRPQFHGHPIRP-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207541211 1223453939 /nfs/dbraw/zinc/45/39/39/1223453939.db2.gz YXHZGLRXDWVRSZ-BZUAXINKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207541211 1223453941 /nfs/dbraw/zinc/45/39/41/1223453941.db2.gz YXHZGLRXDWVRSZ-BZUAXINKSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546814 1223454094 /nfs/dbraw/zinc/45/40/94/1223454094.db2.gz AVTDAKWFVWBHHP-KURKYZTESA-N 2 2 365.522 0.922 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546814 1223454096 /nfs/dbraw/zinc/45/40/96/1223454096.db2.gz AVTDAKWFVWBHHP-KURKYZTESA-N 2 2 365.522 0.922 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547139 1223454600 /nfs/dbraw/zinc/45/46/00/1223454600.db2.gz MGFFFGWRAOOVPD-BRWVUGGUSA-N 2 2 359.478 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547139 1223454603 /nfs/dbraw/zinc/45/46/03/1223454603.db2.gz MGFFFGWRAOOVPD-BRWVUGGUSA-N 2 2 359.478 0.147 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708690 1223473310 /nfs/dbraw/zinc/47/33/10/1223473310.db2.gz HGYJASXDHHSILX-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708690 1223473313 /nfs/dbraw/zinc/47/33/13/1223473313.db2.gz HGYJASXDHHSILX-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207708690 1223473315 /nfs/dbraw/zinc/47/33/15/1223473315.db2.gz HGYJASXDHHSILX-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001207708690 1223473318 /nfs/dbraw/zinc/47/33/18/1223473318.db2.gz HGYJASXDHHSILX-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208074453 1223514332 /nfs/dbraw/zinc/51/43/32/1223514332.db2.gz VMPFYCSGVLYWMS-BJZITVGISA-N 2 2 362.518 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208074453 1223514337 /nfs/dbraw/zinc/51/43/37/1223514337.db2.gz VMPFYCSGVLYWMS-BJZITVGISA-N 2 2 362.518 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001208207612 1223522533 /nfs/dbraw/zinc/52/25/33/1223522533.db2.gz XEAKWVOPFYHQPV-CRAIPNDOSA-N 2 2 358.442 0.931 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001208207612 1223522535 /nfs/dbraw/zinc/52/25/35/1223522535.db2.gz XEAKWVOPFYHQPV-CRAIPNDOSA-N 2 2 358.442 0.931 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281420 1223530099 /nfs/dbraw/zinc/53/00/99/1223530099.db2.gz HOLZIQJGFRYIPP-HZSPNIEDSA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281420 1223530102 /nfs/dbraw/zinc/53/01/02/1223530102.db2.gz HOLZIQJGFRYIPP-HZSPNIEDSA-N 2 2 367.494 0.141 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001208482303 1223549571 /nfs/dbraw/zinc/54/95/71/1223549571.db2.gz BFSIWQXNUFNZOO-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001208482303 1223549575 /nfs/dbraw/zinc/54/95/75/1223549575.db2.gz BFSIWQXNUFNZOO-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001208482303 1223549579 /nfs/dbraw/zinc/54/95/79/1223549579.db2.gz BFSIWQXNUFNZOO-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001208482303 1223549588 /nfs/dbraw/zinc/54/95/88/1223549588.db2.gz BFSIWQXNUFNZOO-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]2C)C1 ZINC001208591189 1223561518 /nfs/dbraw/zinc/56/15/18/1223561518.db2.gz RJHGZSOVZWCNDK-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]2C)C1 ZINC001208591189 1223561521 /nfs/dbraw/zinc/56/15/21/1223561521.db2.gz RJHGZSOVZWCNDK-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]2C)C1 ZINC001208591189 1223561524 /nfs/dbraw/zinc/56/15/24/1223561524.db2.gz RJHGZSOVZWCNDK-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]2C)C1 ZINC001208591189 1223561527 /nfs/dbraw/zinc/56/15/27/1223561527.db2.gz RJHGZSOVZWCNDK-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611320 1223563485 /nfs/dbraw/zinc/56/34/85/1223563485.db2.gz BRCVTECISGZXFC-BGTYHANMSA-N 2 2 359.474 0.780 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611320 1223563488 /nfs/dbraw/zinc/56/34/88/1223563488.db2.gz BRCVTECISGZXFC-BGTYHANMSA-N 2 2 359.474 0.780 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611320 1223563494 /nfs/dbraw/zinc/56/34/94/1223563494.db2.gz BRCVTECISGZXFC-BGTYHANMSA-N 2 2 359.474 0.780 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611320 1223563499 /nfs/dbraw/zinc/56/34/99/1223563499.db2.gz BRCVTECISGZXFC-BGTYHANMSA-N 2 2 359.474 0.780 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506205 1223625846 /nfs/dbraw/zinc/62/58/46/1223625846.db2.gz JAVJIZKMEUZOMF-NVXWUHKLSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506205 1223625849 /nfs/dbraw/zinc/62/58/49/1223625849.db2.gz JAVJIZKMEUZOMF-NVXWUHKLSA-N 2 2 366.506 0.062 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514243 1223626506 /nfs/dbraw/zinc/62/65/06/1223626506.db2.gz JDAOVHVLLFGMNB-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514243 1223626507 /nfs/dbraw/zinc/62/65/07/1223626507.db2.gz JDAOVHVLLFGMNB-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515350 1223627058 /nfs/dbraw/zinc/62/70/58/1223627058.db2.gz VYWQYAXUTNVGHJ-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209515350 1223627059 /nfs/dbraw/zinc/62/70/59/1223627059.db2.gz VYWQYAXUTNVGHJ-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515346 1223627256 /nfs/dbraw/zinc/62/72/56/1223627256.db2.gz VVMFSRFMJKXGNC-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515346 1223627259 /nfs/dbraw/zinc/62/72/59/1223627259.db2.gz VVMFSRFMJKXGNC-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698375 1223642141 /nfs/dbraw/zinc/64/21/41/1223642141.db2.gz AHDIIKLEXTWCBE-BZUAXINKSA-N 2 2 361.490 0.876 20 0 FCADLP Nc1cc[nH+]cc1CN1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001209731003 1223645317 /nfs/dbraw/zinc/64/53/17/1223645317.db2.gz SFIOMJAACGKQIN-FQEVSTJZSA-N 2 2 369.469 0.993 20 0 FCADLP Nc1cc[nH+]cc1CN1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001209731003 1223645319 /nfs/dbraw/zinc/64/53/19/1223645319.db2.gz SFIOMJAACGKQIN-FQEVSTJZSA-N 2 2 369.469 0.993 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717877 1223704371 /nfs/dbraw/zinc/70/43/71/1223704371.db2.gz MEGPVOJWGYJNLR-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717877 1223704377 /nfs/dbraw/zinc/70/43/77/1223704377.db2.gz MEGPVOJWGYJNLR-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210723477 1223704413 /nfs/dbraw/zinc/70/44/13/1223704413.db2.gz LYTTXTPEYNMCKN-FVQBIDKESA-N 2 2 357.462 0.568 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723079 1223704816 /nfs/dbraw/zinc/70/48/16/1223704816.db2.gz CQEDUBDWQRTNCP-GDBMZVCRSA-N 2 2 364.494 0.497 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723079 1223704817 /nfs/dbraw/zinc/70/48/17/1223704817.db2.gz CQEDUBDWQRTNCP-GDBMZVCRSA-N 2 2 364.494 0.497 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210718759 1223704936 /nfs/dbraw/zinc/70/49/36/1223704936.db2.gz ZOOHMIICMFJFPB-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210718759 1223704938 /nfs/dbraw/zinc/70/49/38/1223704938.db2.gz ZOOHMIICMFJFPB-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369359 1223737534 /nfs/dbraw/zinc/73/75/34/1223737534.db2.gz GLSKNJNVHRNRGC-RBSFLKMASA-N 2 2 362.478 0.580 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369359 1223737536 /nfs/dbraw/zinc/73/75/36/1223737536.db2.gz GLSKNJNVHRNRGC-RBSFLKMASA-N 2 2 362.478 0.580 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369359 1223737539 /nfs/dbraw/zinc/73/75/39/1223737539.db2.gz GLSKNJNVHRNRGC-RBSFLKMASA-N 2 2 362.478 0.580 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369359 1223737542 /nfs/dbraw/zinc/73/75/42/1223737542.db2.gz GLSKNJNVHRNRGC-RBSFLKMASA-N 2 2 362.478 0.580 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447690 1223742664 /nfs/dbraw/zinc/74/26/64/1223742664.db2.gz BQMVKUKTIHSTJN-KBAYOESNSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447690 1223742666 /nfs/dbraw/zinc/74/26/66/1223742666.db2.gz BQMVKUKTIHSTJN-KBAYOESNSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211447690 1223742668 /nfs/dbraw/zinc/74/26/68/1223742668.db2.gz BQMVKUKTIHSTJN-KBAYOESNSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211447690 1223742671 /nfs/dbraw/zinc/74/26/71/1223742671.db2.gz BQMVKUKTIHSTJN-KBAYOESNSA-N 2 2 358.486 0.786 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378204 1223792233 /nfs/dbraw/zinc/79/22/33/1223792233.db2.gz HCFHSFBGAICFGL-HUUCEWRRSA-N 2 2 363.462 0.327 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378204 1223792235 /nfs/dbraw/zinc/79/22/35/1223792235.db2.gz HCFHSFBGAICFGL-HUUCEWRRSA-N 2 2 363.462 0.327 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446358 1223799899 /nfs/dbraw/zinc/79/98/99/1223799899.db2.gz JPIZABJUGWKFSF-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446358 1223799901 /nfs/dbraw/zinc/79/99/01/1223799901.db2.gz JPIZABJUGWKFSF-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446358 1223799903 /nfs/dbraw/zinc/79/99/03/1223799903.db2.gz JPIZABJUGWKFSF-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446358 1223799906 /nfs/dbraw/zinc/79/99/06/1223799906.db2.gz JPIZABJUGWKFSF-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526839 1223809856 /nfs/dbraw/zinc/80/98/56/1223809856.db2.gz XMJYDPYGBQHGIC-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526839 1223809858 /nfs/dbraw/zinc/80/98/58/1223809858.db2.gz XMJYDPYGBQHGIC-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580818 1223817551 /nfs/dbraw/zinc/81/75/51/1223817551.db2.gz JYRABLJIPSTADK-NVXWUHKLSA-N 2 2 366.462 0.329 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213580818 1223817552 /nfs/dbraw/zinc/81/75/52/1223817552.db2.gz JYRABLJIPSTADK-NVXWUHKLSA-N 2 2 366.462 0.329 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678443 1223832054 /nfs/dbraw/zinc/83/20/54/1223832054.db2.gz WVIBPPBCJYOYBD-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678443 1223832055 /nfs/dbraw/zinc/83/20/55/1223832055.db2.gz WVIBPPBCJYOYBD-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678443 1223832057 /nfs/dbraw/zinc/83/20/57/1223832057.db2.gz WVIBPPBCJYOYBD-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678443 1223832059 /nfs/dbraw/zinc/83/20/59/1223832059.db2.gz WVIBPPBCJYOYBD-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213713741 1223837934 /nfs/dbraw/zinc/83/79/34/1223837934.db2.gz YQRUOYDPJQJELG-BRWVUGGUSA-N 2 2 370.538 0.968 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213713741 1223837936 /nfs/dbraw/zinc/83/79/36/1223837936.db2.gz YQRUOYDPJQJELG-BRWVUGGUSA-N 2 2 370.538 0.968 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754351 1223844741 /nfs/dbraw/zinc/84/47/41/1223844741.db2.gz YXHJWKGVHBPEGP-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754351 1223844742 /nfs/dbraw/zinc/84/47/42/1223844742.db2.gz YXHJWKGVHBPEGP-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213757340 1223844840 /nfs/dbraw/zinc/84/48/40/1223844840.db2.gz DRWHTALLCMFOIF-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213757340 1223844842 /nfs/dbraw/zinc/84/48/42/1223844842.db2.gz DRWHTALLCMFOIF-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213757340 1223844845 /nfs/dbraw/zinc/84/48/45/1223844845.db2.gz DRWHTALLCMFOIF-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802616 1223853044 /nfs/dbraw/zinc/85/30/44/1223853044.db2.gz ZDIBFJOORBARNG-GVDBMIGSSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802616 1223853046 /nfs/dbraw/zinc/85/30/46/1223853046.db2.gz ZDIBFJOORBARNG-GVDBMIGSSA-N 2 2 364.490 0.983 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001213917020 1223871643 /nfs/dbraw/zinc/87/16/43/1223871643.db2.gz XCXLGBJOOCDANR-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001213917020 1223871645 /nfs/dbraw/zinc/87/16/45/1223871645.db2.gz XCXLGBJOOCDANR-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921939 1223873064 /nfs/dbraw/zinc/87/30/64/1223873064.db2.gz ODXVRCDIVDPWQI-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921939 1223873067 /nfs/dbraw/zinc/87/30/67/1223873067.db2.gz ODXVRCDIVDPWQI-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001213931109 1223875111 /nfs/dbraw/zinc/87/51/11/1223875111.db2.gz DFTCMOFRQWQOIG-KZNAEPCWSA-N 2 2 365.474 0.114 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001213931109 1223875113 /nfs/dbraw/zinc/87/51/13/1223875113.db2.gz DFTCMOFRQWQOIG-KZNAEPCWSA-N 2 2 365.474 0.114 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974258 1223879905 /nfs/dbraw/zinc/87/99/05/1223879905.db2.gz OWTIABHVSKKEBT-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974258 1223879907 /nfs/dbraw/zinc/87/99/07/1223879907.db2.gz OWTIABHVSKKEBT-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001213975606 1223880740 /nfs/dbraw/zinc/88/07/40/1223880740.db2.gz OJPOSKNCUZYCNX-RTBURBONSA-N 2 2 371.485 0.831 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001213975606 1223880742 /nfs/dbraw/zinc/88/07/42/1223880742.db2.gz OJPOSKNCUZYCNX-RTBURBONSA-N 2 2 371.485 0.831 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001213975606 1223880744 /nfs/dbraw/zinc/88/07/44/1223880744.db2.gz OJPOSKNCUZYCNX-RTBURBONSA-N 2 2 371.485 0.831 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cccn2)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001213975606 1223880746 /nfs/dbraw/zinc/88/07/46/1223880746.db2.gz OJPOSKNCUZYCNX-RTBURBONSA-N 2 2 371.485 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214531228 1223918871 /nfs/dbraw/zinc/91/88/71/1223918871.db2.gz SZCDUEVFNUXLDW-CHWSQXEVSA-N 2 2 357.418 0.208 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215005722 1223962853 /nfs/dbraw/zinc/96/28/53/1223962853.db2.gz FVVBCHYFNQBYDM-IIAWOOMASA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215006159 1223963706 /nfs/dbraw/zinc/96/37/06/1223963706.db2.gz UFERUIHBVSFEAO-IJEWVQPXSA-N 2 2 359.474 0.503 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215023952 1223964693 /nfs/dbraw/zinc/96/46/93/1223964693.db2.gz CDLYVVDKANDPFP-XJKCOSOUSA-N 2 2 365.478 0.701 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001215585801 1224007680 /nfs/dbraw/zinc/00/76/80/1224007680.db2.gz OTRKPNPHKVIHIE-KLHDSHLOSA-N 2 2 361.490 0.829 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@H]2C)n1 ZINC001215599318 1224008575 /nfs/dbraw/zinc/00/85/75/1224008575.db2.gz ZQKHVIWGUFOYGP-IJEWVQPXSA-N 2 2 365.478 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001215685486 1224012794 /nfs/dbraw/zinc/01/27/94/1224012794.db2.gz RIUNKFOYTPRTEZ-MLGOLLRUSA-N 2 2 357.414 0.733 20 0 FCADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001215742403 1224014951 /nfs/dbraw/zinc/01/49/51/1224014951.db2.gz MAFRIMGFTJTNFU-IAGOWNOFSA-N 2 2 369.506 0.077 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001215934322 1224025361 /nfs/dbraw/zinc/02/53/61/1224025361.db2.gz NYQYQJLGEUHVBT-VNHYZAJKSA-N 2 2 360.466 0.693 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001215972995 1224027621 /nfs/dbraw/zinc/02/76/21/1224027621.db2.gz JUUZGSXATGYSSC-HUUCEWRRSA-N 2 2 366.510 0.557 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001215972995 1224027625 /nfs/dbraw/zinc/02/76/25/1224027625.db2.gz JUUZGSXATGYSSC-HUUCEWRRSA-N 2 2 366.510 0.557 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC001216064961 1224032672 /nfs/dbraw/zinc/03/26/72/1224032672.db2.gz JVTUJCKWYAYKSZ-HLLBOEOZSA-N 2 2 358.442 0.829 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216392905 1224048517 /nfs/dbraw/zinc/04/85/17/1224048517.db2.gz SVGQHULEAXZRIQ-CHWSQXEVSA-N 2 2 371.445 0.553 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216392806 1224048550 /nfs/dbraw/zinc/04/85/50/1224048550.db2.gz PLVZUQFILRHONN-ZIAGYGMSSA-N 2 2 365.478 0.277 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630876 1224059535 /nfs/dbraw/zinc/05/95/35/1224059535.db2.gz SKDLOBMBAVAROG-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)c2ccccc2[C@@]12CC[N@@H+](C[C@H](O)CO)C2 ZINC001277717956 1226171147 /nfs/dbraw/zinc/17/11/47/1226171147.db2.gz ATIPEQSYAYWXLZ-KXBFYZLASA-N 2 2 356.426 0.227 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)c2ccccc2[C@@]12CC[N@H+](C[C@H](O)CO)C2 ZINC001277717956 1226171152 /nfs/dbraw/zinc/17/11/52/1226171152.db2.gz ATIPEQSYAYWXLZ-KXBFYZLASA-N 2 2 356.426 0.227 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978356848 1248731917 /nfs/dbraw/zinc/73/19/17/1248731917.db2.gz PMRUPIOAQIKBJD-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978356848 1248731924 /nfs/dbraw/zinc/73/19/24/1248731924.db2.gz PMRUPIOAQIKBJD-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978356848 1248731930 /nfs/dbraw/zinc/73/19/30/1248731930.db2.gz PMRUPIOAQIKBJD-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978356848 1248731938 /nfs/dbraw/zinc/73/19/38/1248731938.db2.gz PMRUPIOAQIKBJD-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CN(C[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000978426060 1248751961 /nfs/dbraw/zinc/75/19/61/1248751961.db2.gz NDVRZLUTUPCRMN-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP CCCn1nnnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000985440079 1248922899 /nfs/dbraw/zinc/92/28/99/1248922899.db2.gz DCBOJGFCIFKDEV-GDBMZVCRSA-N 2 2 363.510 0.846 20 0 FCADLP CCCn1nnnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000985440079 1248922910 /nfs/dbraw/zinc/92/29/10/1248922910.db2.gz DCBOJGFCIFKDEV-GDBMZVCRSA-N 2 2 363.510 0.846 20 0 FCADLP CCCn1nnnc1C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985440079 1248922918 /nfs/dbraw/zinc/92/29/18/1248922918.db2.gz DCBOJGFCIFKDEV-GDBMZVCRSA-N 2 2 363.510 0.846 20 0 FCADLP CCCn1nnnc1C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985440079 1248922930 /nfs/dbraw/zinc/92/29/30/1248922930.db2.gz DCBOJGFCIFKDEV-GDBMZVCRSA-N 2 2 363.510 0.846 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000987952596 1249273322 /nfs/dbraw/zinc/27/33/22/1249273322.db2.gz XMBJVZFBSKMGHZ-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000987952596 1249273333 /nfs/dbraw/zinc/27/33/33/1249273333.db2.gz XMBJVZFBSKMGHZ-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993571817 1249714486 /nfs/dbraw/zinc/71/44/86/1249714486.db2.gz JOTSUAOKPHDILE-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993571817 1249714494 /nfs/dbraw/zinc/71/44/94/1249714494.db2.gz JOTSUAOKPHDILE-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000993573265 1249717364 /nfs/dbraw/zinc/71/73/64/1249717364.db2.gz STRBRVJPQUNFLD-NUJGCVRESA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000993577560 1249723434 /nfs/dbraw/zinc/72/34/34/1249723434.db2.gz KWMULMBPEDINRC-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000993577560 1249723442 /nfs/dbraw/zinc/72/34/42/1249723442.db2.gz KWMULMBPEDINRC-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000993582362 1249731406 /nfs/dbraw/zinc/73/14/06/1249731406.db2.gz XRZDRYQTVVGCCH-RBSFLKMASA-N 2 2 371.441 0.689 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000993582362 1249731416 /nfs/dbraw/zinc/73/14/16/1249731416.db2.gz XRZDRYQTVVGCCH-RBSFLKMASA-N 2 2 371.441 0.689 20 0 FCADLP CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000993583663 1249733302 /nfs/dbraw/zinc/73/33/02/1249733302.db2.gz KXNJVDWKNVJOQY-ARFHVFGLSA-N 2 2 359.474 0.749 20 0 FCADLP CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000993583663 1249733308 /nfs/dbraw/zinc/73/33/08/1249733308.db2.gz KXNJVDWKNVJOQY-ARFHVFGLSA-N 2 2 359.474 0.749 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000993599417 1249768553 /nfs/dbraw/zinc/76/85/53/1249768553.db2.gz QBEHITDIVFTBIX-BRWVUGGUSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000993599417 1249768567 /nfs/dbraw/zinc/76/85/67/1249768567.db2.gz QBEHITDIVFTBIX-BRWVUGGUSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993602550 1249781647 /nfs/dbraw/zinc/78/16/47/1249781647.db2.gz CMNCCNHWRAUZGT-CGXZTUQUSA-N 2 2 371.485 0.749 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993602550 1249781662 /nfs/dbraw/zinc/78/16/62/1249781662.db2.gz CMNCCNHWRAUZGT-CGXZTUQUSA-N 2 2 371.485 0.749 20 0 FCADLP C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1c[nH+]cn1C ZINC000993604697 1249787570 /nfs/dbraw/zinc/78/75/70/1249787570.db2.gz BCLCRZQDWXMQCA-CAOSSQGBSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccco1 ZINC000993608472 1249799949 /nfs/dbraw/zinc/79/99/49/1249799949.db2.gz VBVSWLWHSINAKC-RBSFLKMASA-N 2 2 371.441 0.689 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccco1 ZINC000993608472 1249799952 /nfs/dbraw/zinc/79/99/52/1249799952.db2.gz VBVSWLWHSINAKC-RBSFLKMASA-N 2 2 371.441 0.689 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccoc1 ZINC000993608881 1249803981 /nfs/dbraw/zinc/80/39/81/1249803981.db2.gz ZBXHIIFLPRJVJJ-FVQBIDKESA-N 2 2 371.441 0.689 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccoc1 ZINC000993608881 1249804002 /nfs/dbraw/zinc/80/40/02/1249804002.db2.gz ZBXHIIFLPRJVJJ-FVQBIDKESA-N 2 2 371.441 0.689 20 0 FCADLP CC(C)C(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1c[nH+]cn1C ZINC000993613410 1249817005 /nfs/dbraw/zinc/81/70/05/1249817005.db2.gz UQCPXLAUOZCQPN-HUUCEWRRSA-N 2 2 361.490 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993624855 1249855192 /nfs/dbraw/zinc/85/51/92/1249855192.db2.gz APJLBOYXXJPHBR-RBSFLKMASA-N 2 2 361.490 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993624855 1249855209 /nfs/dbraw/zinc/85/52/09/1249855209.db2.gz APJLBOYXXJPHBR-RBSFLKMASA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993840106 1250010948 /nfs/dbraw/zinc/01/09/48/1250010948.db2.gz WXCFAHRNCXKMLP-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000993840106 1250010958 /nfs/dbraw/zinc/01/09/58/1250010958.db2.gz WXCFAHRNCXKMLP-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)CC[N@@H+]1C ZINC000994090981 1250186890 /nfs/dbraw/zinc/18/68/90/1250186890.db2.gz UYXGOSBMWJBBJA-QBPKDAKJSA-N 2 2 361.490 0.824 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)CC[N@H+]1C ZINC000994090981 1250186899 /nfs/dbraw/zinc/18/68/99/1250186899.db2.gz UYXGOSBMWJBBJA-QBPKDAKJSA-N 2 2 361.490 0.824 20 0 FCADLP C[NH+]1CCC(CNC(=O)N2CC(=O)N(C3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000888405864 1245446048 /nfs/dbraw/zinc/44/60/48/1245446048.db2.gz YHDRXXGSMCXVEK-UHFFFAOYSA-N 2 2 363.506 0.910 20 0 FCADLP CN1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+](C)CC1 ZINC000888992510 1245448878 /nfs/dbraw/zinc/44/88/78/1245448878.db2.gz OCDORRAQYVSTDS-FQEVSTJZSA-N 2 2 373.545 0.681 20 0 FCADLP CN1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+](C)CC1 ZINC000888992510 1245448879 /nfs/dbraw/zinc/44/88/79/1245448879.db2.gz OCDORRAQYVSTDS-FQEVSTJZSA-N 2 2 373.545 0.681 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)CC[N@@H+]1C ZINC000994093099 1250189388 /nfs/dbraw/zinc/18/93/88/1250189388.db2.gz UVYBTPFVVOKYCH-KLHDSHLOSA-N 2 2 361.490 0.893 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)CC[N@H+]1C ZINC000994093099 1250189403 /nfs/dbraw/zinc/18/94/03/1250189403.db2.gz UVYBTPFVVOKYCH-KLHDSHLOSA-N 2 2 361.490 0.893 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000923517494 1245724103 /nfs/dbraw/zinc/72/41/03/1245724103.db2.gz DJCFEVYYUUJSEN-RBUKOAKNSA-N 2 2 370.497 0.967 20 0 FCADLP 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/nfs/dbraw/zinc/78/00/16/1252780016.db2.gz GCZKSRRNPZMOHJ-RRFJBIMHSA-N 2 2 355.446 0.873 20 0 FCADLP O=C(NC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001003069429 1252780022 /nfs/dbraw/zinc/78/00/22/1252780022.db2.gz GCZKSRRNPZMOHJ-RRFJBIMHSA-N 2 2 355.446 0.873 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)O1 ZINC001003132254 1252788070 /nfs/dbraw/zinc/78/80/70/1252788070.db2.gz ADVNYTOPOLYJMP-RDTXWAMCSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)O1 ZINC001003132254 1252788082 /nfs/dbraw/zinc/78/80/82/1252788082.db2.gz ADVNYTOPOLYJMP-RDTXWAMCSA-N 2 2 361.490 0.629 20 0 FCADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ccn1 ZINC001003138764 1252790522 /nfs/dbraw/zinc/79/05/22/1252790522.db2.gz LCGFYXADOHZTEI-RHSMWYFYSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ccn1 ZINC001003138764 1252790531 /nfs/dbraw/zinc/79/05/31/1252790531.db2.gz LCGFYXADOHZTEI-RHSMWYFYSA-N 2 2 362.474 0.890 20 0 FCADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001003356519 1252868715 /nfs/dbraw/zinc/86/87/15/1252868715.db2.gz OIGLGJRVDTYNGK-JQHSSLGASA-N 2 2 369.506 0.482 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001003651345 1253032643 /nfs/dbraw/zinc/03/26/43/1253032643.db2.gz CDNGNEBTIYSMLT-ARFHVFGLSA-N 2 2 369.473 0.883 20 0 FCADLP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001003658464 1253035259 /nfs/dbraw/zinc/03/52/59/1253035259.db2.gz HLSWTIOLDXXBNL-HZMVEIRTSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004304795 1253278898 /nfs/dbraw/zinc/27/88/98/1253278898.db2.gz ZGJKWZXSLIQMFW-OAGGEKHMSA-N 2 2 357.458 0.829 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+](C)C1CCC1 ZINC001004377868 1253309041 /nfs/dbraw/zinc/30/90/41/1253309041.db2.gz YORXUDOWIXFHKK-OIISXLGYSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C1CCC1 ZINC001004377868 1253309046 /nfs/dbraw/zinc/30/90/46/1253309046.db2.gz YORXUDOWIXFHKK-OIISXLGYSA-N 2 2 359.474 0.695 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001004815841 1253411332 /nfs/dbraw/zinc/41/13/32/1253411332.db2.gz XJNGXPZVHVQIKW-MXASKKJJSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001004815841 1253411335 /nfs/dbraw/zinc/41/13/35/1253411335.db2.gz XJNGXPZVHVQIKW-MXASKKJJSA-N 2 2 359.474 0.993 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)CC[C@@H]21 ZINC001519642693 1265741516 /nfs/dbraw/zinc/74/15/16/1265741516.db2.gz ZSNFTHNOIVNJKP-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)CC[C@@H]21 ZINC001519642693 1265741519 /nfs/dbraw/zinc/74/15/19/1265741519.db2.gz ZSNFTHNOIVNJKP-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC[C@@H]21 ZINC001519642693 1265741526 /nfs/dbraw/zinc/74/15/26/1265741526.db2.gz ZSNFTHNOIVNJKP-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC[C@@H]21 ZINC001519642693 1265741530 /nfs/dbraw/zinc/74/15/30/1265741530.db2.gz ZSNFTHNOIVNJKP-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001006020640 1253688488 /nfs/dbraw/zinc/68/84/88/1253688488.db2.gz VLYNXGVOGXHCRB-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001022423983 1253806275 /nfs/dbraw/zinc/80/62/75/1253806275.db2.gz MQGPDNUZGYKVRJ-BHYGNILZSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001022423983 1253806287 /nfs/dbraw/zinc/80/62/87/1253806287.db2.gz MQGPDNUZGYKVRJ-BHYGNILZSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1cnc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464469 1253856224 /nfs/dbraw/zinc/85/62/24/1253856224.db2.gz MQRFHIGKLVHSPX-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464469 1253856227 /nfs/dbraw/zinc/85/62/27/1253856227.db2.gz MQRFHIGKLVHSPX-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464469 1253856231 /nfs/dbraw/zinc/85/62/31/1253856231.db2.gz MQRFHIGKLVHSPX-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464469 1253856234 /nfs/dbraw/zinc/85/62/34/1253856234.db2.gz MQRFHIGKLVHSPX-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCOc3ccccc3F)C2)O1 ZINC001031765786 1253893161 /nfs/dbraw/zinc/89/31/61/1253893161.db2.gz PKRXQZIBYSTRJZ-RDTXWAMCSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCOc3ccccc3F)C2)O1 ZINC001031765786 1253893171 /nfs/dbraw/zinc/89/31/71/1253893171.db2.gz PKRXQZIBYSTRJZ-RDTXWAMCSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cnn(C(C)(C)C)c3)C2)O1 ZINC001031765242 1253893684 /nfs/dbraw/zinc/89/36/84/1253893684.db2.gz DHHRBOUCMFNXLH-RHSMWYFYSA-N 2 2 363.506 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cnn(C(C)(C)C)c3)C2)O1 ZINC001031765242 1253893692 /nfs/dbraw/zinc/89/36/92/1253893692.db2.gz DHHRBOUCMFNXLH-RHSMWYFYSA-N 2 2 363.506 0.905 20 0 FCADLP Cc1noc(CCC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001031987245 1253910374 /nfs/dbraw/zinc/91/03/74/1253910374.db2.gz ZZWSBQVEWPYJFX-HUUCEWRRSA-N 2 2 358.446 0.896 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cc(=O)n3nccc3[nH]2)CC[N@@H+]1C ZINC001032411377 1253919389 /nfs/dbraw/zinc/91/93/89/1253919389.db2.gz MSVOARHVECNILN-SYAUCNOPSA-N 2 2 370.457 0.148 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cc(=O)n3nccc3[nH]2)CC[N@H+]1C ZINC001032411377 1253919395 /nfs/dbraw/zinc/91/93/95/1253919395.db2.gz MSVOARHVECNILN-SYAUCNOPSA-N 2 2 370.457 0.148 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cc(=O)n3nccc3[nH]2)CC[NH+]1C ZINC001032411377 1253919398 /nfs/dbraw/zinc/91/93/98/1253919398.db2.gz MSVOARHVECNILN-SYAUCNOPSA-N 2 2 370.457 0.148 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cc(=O)n3nccc3[nH]2)CC[NH+]1C ZINC001032411377 1253919407 /nfs/dbraw/zinc/91/94/07/1253919407.db2.gz MSVOARHVECNILN-SYAUCNOPSA-N 2 2 370.457 0.148 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032532465 1253929422 /nfs/dbraw/zinc/92/94/22/1253929422.db2.gz BFWZMIWBTSETAC-OKYOBFRVSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032532465 1253929442 /nfs/dbraw/zinc/92/94/42/1253929442.db2.gz BFWZMIWBTSETAC-OKYOBFRVSA-N 2 2 363.502 0.951 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001033839725 1253968315 /nfs/dbraw/zinc/96/83/15/1253968315.db2.gz USVPITUSAVMJEY-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001033839725 1253968321 /nfs/dbraw/zinc/96/83/21/1253968321.db2.gz USVPITUSAVMJEY-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001033839725 1253968325 /nfs/dbraw/zinc/96/83/25/1253968325.db2.gz USVPITUSAVMJEY-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001033839725 1253968331 /nfs/dbraw/zinc/96/83/31/1253968331.db2.gz USVPITUSAVMJEY-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273974 1253985768 /nfs/dbraw/zinc/98/57/68/1253985768.db2.gz SDBDQGQLVRMCLP-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273974 1253985784 /nfs/dbraw/zinc/98/57/84/1253985784.db2.gz SDBDQGQLVRMCLP-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273974 1253985801 /nfs/dbraw/zinc/98/58/01/1253985801.db2.gz SDBDQGQLVRMCLP-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273974 1253985810 /nfs/dbraw/zinc/98/58/10/1253985810.db2.gz SDBDQGQLVRMCLP-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001034676463 1254000920 /nfs/dbraw/zinc/00/09/20/1254000920.db2.gz YYVNWXHASUNVQG-CCECPURYSA-N 2 2 364.494 0.910 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001034676463 1254000926 /nfs/dbraw/zinc/00/09/26/1254000926.db2.gz YYVNWXHASUNVQG-CCECPURYSA-N 2 2 364.494 0.910 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]Cc3nnnn3C)cc2)CC[N@@H+]1C ZINC001034819151 1254007086 /nfs/dbraw/zinc/00/70/86/1254007086.db2.gz WQYCIZYPHBOPSF-CZUORRHYSA-N 2 2 357.462 0.456 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]Cc3nnnn3C)cc2)CC[N@H+]1C ZINC001034819151 1254007100 /nfs/dbraw/zinc/00/71/00/1254007100.db2.gz WQYCIZYPHBOPSF-CZUORRHYSA-N 2 2 357.462 0.456 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228703 1254023224 /nfs/dbraw/zinc/02/32/24/1254023224.db2.gz BWVZKJRTGWEQBT-RRFJBIMHSA-N 2 2 359.474 0.712 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228703 1254023232 /nfs/dbraw/zinc/02/32/32/1254023232.db2.gz BWVZKJRTGWEQBT-RRFJBIMHSA-N 2 2 359.474 0.712 20 0 FCADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369826 1254026044 /nfs/dbraw/zinc/02/60/44/1254026044.db2.gz ASWIFVJNPFKWEO-KSZLIROESA-N 2 2 369.506 0.197 20 0 FCADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369826 1254026051 /nfs/dbraw/zinc/02/60/51/1254026051.db2.gz ASWIFVJNPFKWEO-KSZLIROESA-N 2 2 369.506 0.197 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCc3cnn(C)c3)CCO2)CC[N@@H+]1C ZINC001035376727 1254031733 /nfs/dbraw/zinc/03/17/33/1254031733.db2.gz SOXJWNSOQRQGBX-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCc3cnn(C)c3)CCO2)CC[N@H+]1C ZINC001035376727 1254031741 /nfs/dbraw/zinc/03/17/41/1254031741.db2.gz SOXJWNSOQRQGBX-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CCc3cnn(C)c3)CCO2)CC[NH+]1C ZINC001035376727 1254031750 /nfs/dbraw/zinc/03/17/50/1254031750.db2.gz SOXJWNSOQRQGBX-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CCc3cnn(C)c3)CCO2)CC[NH+]1C ZINC001035376727 1254031759 /nfs/dbraw/zinc/03/17/59/1254031759.db2.gz SOXJWNSOQRQGBX-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC001035799108 1254065542 /nfs/dbraw/zinc/06/55/42/1254065542.db2.gz XBJDLMLEMAVCQI-OAGGEKHMSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001059732365 1254113065 /nfs/dbraw/zinc/11/30/65/1254113065.db2.gz QCUYRYPQHYQTIF-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001059732365 1254113082 /nfs/dbraw/zinc/11/30/82/1254113082.db2.gz QCUYRYPQHYQTIF-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001062044499 1254241281 /nfs/dbraw/zinc/24/12/81/1254241281.db2.gz HDMBSFOFVMANFZ-APIJFGDWSA-N 2 2 369.473 0.883 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001062044499 1254241290 /nfs/dbraw/zinc/24/12/90/1254241290.db2.gz HDMBSFOFVMANFZ-APIJFGDWSA-N 2 2 369.473 0.883 20 0 FCADLP C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001063721619 1254382590 /nfs/dbraw/zinc/38/25/90/1254382590.db2.gz RBUYHQRPDXRJML-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001063721619 1254382603 /nfs/dbraw/zinc/38/26/03/1254382603.db2.gz RBUYHQRPDXRJML-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065613856 1254549289 /nfs/dbraw/zinc/54/92/89/1254549289.db2.gz FAVXFFYKMJIUAB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065613856 1254549302 /nfs/dbraw/zinc/54/93/02/1254549302.db2.gz FAVXFFYKMJIUAB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065613856 1254549310 /nfs/dbraw/zinc/54/93/10/1254549310.db2.gz FAVXFFYKMJIUAB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065613856 1254549324 /nfs/dbraw/zinc/54/93/24/1254549324.db2.gz FAVXFFYKMJIUAB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001065713000 1254582932 /nfs/dbraw/zinc/58/29/32/1254582932.db2.gz JTUDUVFNCNMVHO-OKZBNKHCSA-N 2 2 362.518 0.729 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075962093 1254657153 /nfs/dbraw/zinc/65/71/53/1254657153.db2.gz DRXJZKLQXMXBME-HLLBOEOZSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075962093 1254657166 /nfs/dbraw/zinc/65/71/66/1254657166.db2.gz DRXJZKLQXMXBME-HLLBOEOZSA-N 2 2 355.446 0.270 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566742 1254705275 /nfs/dbraw/zinc/70/52/75/1254705275.db2.gz MNRSAVIMULRXJA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566742 1254705287 /nfs/dbraw/zinc/70/52/87/1254705287.db2.gz MNRSAVIMULRXJA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566742 1254705295 /nfs/dbraw/zinc/70/52/95/1254705295.db2.gz MNRSAVIMULRXJA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566742 1254705313 /nfs/dbraw/zinc/70/53/13/1254705313.db2.gz MNRSAVIMULRXJA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@H]1O)CC2 ZINC001077583665 1254737539 /nfs/dbraw/zinc/73/75/39/1254737539.db2.gz HJWSPYBEWJKPIN-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@H]1O)CC2 ZINC001077583665 1254737548 /nfs/dbraw/zinc/73/75/48/1254737548.db2.gz HJWSPYBEWJKPIN-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679170 1254862359 /nfs/dbraw/zinc/86/23/59/1254862359.db2.gz IYTJVNCARZWRAG-CSMYWGQOSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679170 1254862363 /nfs/dbraw/zinc/86/23/63/1254862363.db2.gz IYTJVNCARZWRAG-CSMYWGQOSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679170 1254862373 /nfs/dbraw/zinc/86/23/73/1254862373.db2.gz IYTJVNCARZWRAG-CSMYWGQOSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679170 1254862378 /nfs/dbraw/zinc/86/23/78/1254862378.db2.gz IYTJVNCARZWRAG-CSMYWGQOSA-N 2 2 359.430 0.226 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@H]1O)C2 ZINC001077683001 1254874445 /nfs/dbraw/zinc/87/44/45/1254874445.db2.gz UUPHNCKSZHINPB-ZTFGCOKTSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@H]1O)C2 ZINC001077683001 1254874449 /nfs/dbraw/zinc/87/44/49/1254874449.db2.gz UUPHNCKSZHINPB-ZTFGCOKTSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077776040 1254975737 /nfs/dbraw/zinc/97/57/37/1254975737.db2.gz AHHYFIOSEAJJFQ-FGTMMUONSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077776040 1254975742 /nfs/dbraw/zinc/97/57/42/1254975742.db2.gz AHHYFIOSEAJJFQ-FGTMMUONSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776040 1254975751 /nfs/dbraw/zinc/97/57/51/1254975751.db2.gz AHHYFIOSEAJJFQ-FGTMMUONSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776040 1254975755 /nfs/dbraw/zinc/97/57/55/1254975755.db2.gz AHHYFIOSEAJJFQ-FGTMMUONSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923930 1255104678 /nfs/dbraw/zinc/10/46/78/1255104678.db2.gz KMGDABCMUMGPNB-QZTJIDSGSA-N 2 2 361.490 0.567 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923930 1255104681 /nfs/dbraw/zinc/10/46/81/1255104681.db2.gz KMGDABCMUMGPNB-QZTJIDSGSA-N 2 2 361.490 0.567 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001077933053 1255109038 /nfs/dbraw/zinc/10/90/38/1255109038.db2.gz URABJKJZZROEKN-BMGDILEWSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001077933053 1255109040 /nfs/dbraw/zinc/10/90/40/1255109040.db2.gz URABJKJZZROEKN-BMGDILEWSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941492 1255113622 /nfs/dbraw/zinc/11/36/22/1255113622.db2.gz RRAWZVGMRFAWBB-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941492 1255113627 /nfs/dbraw/zinc/11/36/27/1255113627.db2.gz RRAWZVGMRFAWBB-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001078005580 1255162296 /nfs/dbraw/zinc/16/22/96/1255162296.db2.gz FYAVSDISZJPLKX-USXIJHARSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001078005580 1255162301 /nfs/dbraw/zinc/16/23/01/1255162301.db2.gz FYAVSDISZJPLKX-USXIJHARSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001078005580 1255162308 /nfs/dbraw/zinc/16/23/08/1255162308.db2.gz FYAVSDISZJPLKX-USXIJHARSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001078005580 1255162313 /nfs/dbraw/zinc/16/23/13/1255162313.db2.gz FYAVSDISZJPLKX-USXIJHARSA-N 2 2 365.449 0.837 20 0 FCADLP CCc1ccccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009572 1255166168 /nfs/dbraw/zinc/16/61/68/1255166168.db2.gz HUTLXVHSEJHYFR-RTBURBONSA-N 2 2 356.470 0.929 20 0 FCADLP CCc1ccccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009572 1255166183 /nfs/dbraw/zinc/16/61/83/1255166183.db2.gz HUTLXVHSEJHYFR-RTBURBONSA-N 2 2 356.470 0.929 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175918 1255289387 /nfs/dbraw/zinc/28/93/87/1255289387.db2.gz SJQGTIZMRQBSJU-KFKAGJAMSA-N 2 2 370.453 0.955 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175918 1255289394 /nfs/dbraw/zinc/28/93/94/1255289394.db2.gz SJQGTIZMRQBSJU-KFKAGJAMSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175918 1255289401 /nfs/dbraw/zinc/28/94/01/1255289401.db2.gz SJQGTIZMRQBSJU-KFKAGJAMSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175918 1255289408 /nfs/dbraw/zinc/28/94/08/1255289408.db2.gz SJQGTIZMRQBSJU-KFKAGJAMSA-N 2 2 370.453 0.955 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175807 1255289902 /nfs/dbraw/zinc/28/99/02/1255289902.db2.gz NOMMHKUMOPFDFG-QXAKKESOSA-N 2 2 369.469 0.485 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175807 1255289909 /nfs/dbraw/zinc/28/99/09/1255289909.db2.gz NOMMHKUMOPFDFG-QXAKKESOSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175807 1255289912 /nfs/dbraw/zinc/28/99/12/1255289912.db2.gz NOMMHKUMOPFDFG-QXAKKESOSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175807 1255289918 /nfs/dbraw/zinc/28/99/18/1255289918.db2.gz NOMMHKUMOPFDFG-QXAKKESOSA-N 2 2 369.469 0.485 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001078178880 1255293918 /nfs/dbraw/zinc/29/39/18/1255293918.db2.gz HXFPSNMZAZHTGP-RTBURBONSA-N 2 2 354.454 0.992 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001078178880 1255293922 /nfs/dbraw/zinc/29/39/22/1255293922.db2.gz HXFPSNMZAZHTGP-RTBURBONSA-N 2 2 354.454 0.992 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209837 1255324987 /nfs/dbraw/zinc/32/49/87/1255324987.db2.gz MFZKXSOFMHCHOQ-KZNAEPCWSA-N 2 2 365.449 0.538 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209837 1255324996 /nfs/dbraw/zinc/32/49/96/1255324996.db2.gz MFZKXSOFMHCHOQ-KZNAEPCWSA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209837 1255325005 /nfs/dbraw/zinc/32/50/05/1255325005.db2.gz MFZKXSOFMHCHOQ-KZNAEPCWSA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209837 1255325014 /nfs/dbraw/zinc/32/50/14/1255325014.db2.gz MFZKXSOFMHCHOQ-KZNAEPCWSA-N 2 2 365.449 0.538 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@H]2O)C1 ZINC001078209632 1255325525 /nfs/dbraw/zinc/32/55/25/1255325525.db2.gz KABYIWWZDYQLMC-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@H]2O)C1 ZINC001078209632 1255325532 /nfs/dbraw/zinc/32/55/32/1255325532.db2.gz KABYIWWZDYQLMC-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@H]2O)C1 ZINC001078209632 1255325539 /nfs/dbraw/zinc/32/55/39/1255325539.db2.gz KABYIWWZDYQLMC-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@H]2O)C1 ZINC001078209632 1255325546 /nfs/dbraw/zinc/32/55/46/1255325546.db2.gz KABYIWWZDYQLMC-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC001078434461 1255413104 /nfs/dbraw/zinc/41/31/04/1255413104.db2.gz HWTZRGYLQLHAGY-SQNIBIBYSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526954 1255534702 /nfs/dbraw/zinc/53/47/02/1255534702.db2.gz XWQRWMFBVIPURC-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526954 1255534709 /nfs/dbraw/zinc/53/47/09/1255534709.db2.gz XWQRWMFBVIPURC-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526954 1255534713 /nfs/dbraw/zinc/53/47/13/1255534713.db2.gz XWQRWMFBVIPURC-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526954 1255534716 /nfs/dbraw/zinc/53/47/16/1255534716.db2.gz XWQRWMFBVIPURC-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCn4cncn4)C[C@H]3C)ccn12 ZINC001079698363 1255578164 /nfs/dbraw/zinc/57/81/64/1255578164.db2.gz YNNOIMLOEBGPPV-CZUORRHYSA-N 2 2 353.430 0.985 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCn4cncn4)C[C@H]3C)ccn12 ZINC001079698363 1255578166 /nfs/dbraw/zinc/57/81/66/1255578166.db2.gz YNNOIMLOEBGPPV-CZUORRHYSA-N 2 2 353.430 0.985 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079707403 1255582426 /nfs/dbraw/zinc/58/24/26/1255582426.db2.gz DCVWJLGAEQBVLF-XOKHGSTOSA-N 2 2 359.474 0.764 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079707403 1255582430 /nfs/dbraw/zinc/58/24/30/1255582430.db2.gz DCVWJLGAEQBVLF-XOKHGSTOSA-N 2 2 359.474 0.764 20 0 FCADLP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079853939 1255634487 /nfs/dbraw/zinc/63/44/87/1255634487.db2.gz OPGCKQNDKSSHFW-JJRVBVJISA-N 2 2 361.490 0.988 20 0 FCADLP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079853939 1255634492 /nfs/dbraw/zinc/63/44/92/1255634492.db2.gz OPGCKQNDKSSHFW-JJRVBVJISA-N 2 2 361.490 0.988 20 0 FCADLP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079853939 1255634495 /nfs/dbraw/zinc/63/44/95/1255634495.db2.gz OPGCKQNDKSSHFW-JJRVBVJISA-N 2 2 361.490 0.988 20 0 FCADLP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079853939 1255634502 /nfs/dbraw/zinc/63/45/02/1255634502.db2.gz OPGCKQNDKSSHFW-JJRVBVJISA-N 2 2 361.490 0.988 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962396 1255683186 /nfs/dbraw/zinc/68/31/86/1255683186.db2.gz HGHBGIYGHUBQMT-DDUZABMNSA-N 2 2 368.441 0.871 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962396 1255683194 /nfs/dbraw/zinc/68/31/94/1255683194.db2.gz HGHBGIYGHUBQMT-DDUZABMNSA-N 2 2 368.441 0.871 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962700 1255683984 /nfs/dbraw/zinc/68/39/84/1255683984.db2.gz XTYOKSCRRNZXBA-MLGOLLRUSA-N 2 2 369.425 0.762 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962700 1255683997 /nfs/dbraw/zinc/68/39/97/1255683997.db2.gz XTYOKSCRRNZXBA-MLGOLLRUSA-N 2 2 369.425 0.762 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079967293 1255684979 /nfs/dbraw/zinc/68/49/79/1255684979.db2.gz DAKNMYRBBOOGKC-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079967293 1255684986 /nfs/dbraw/zinc/68/49/86/1255684986.db2.gz DAKNMYRBBOOGKC-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079967293 1255684996 /nfs/dbraw/zinc/68/49/96/1255684996.db2.gz DAKNMYRBBOOGKC-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079967293 1255685009 /nfs/dbraw/zinc/68/50/09/1255685009.db2.gz DAKNMYRBBOOGKC-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991403 1255695597 /nfs/dbraw/zinc/69/55/97/1255695597.db2.gz GYWQDCDWWLFSNC-IIDMSEBBSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991403 1255695602 /nfs/dbraw/zinc/69/56/02/1255695602.db2.gz GYWQDCDWWLFSNC-IIDMSEBBSA-N 2 2 356.474 0.858 20 0 FCADLP CCN(C(=O)Cn1c[nH+]cc1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080107328 1255748733 /nfs/dbraw/zinc/74/87/33/1255748733.db2.gz AGWUGMZFDYBCCH-HZPDHXFCSA-N 2 2 370.457 0.788 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318284 1255837161 /nfs/dbraw/zinc/83/71/61/1255837161.db2.gz MHCFSGWIBOFPIB-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318284 1255837170 /nfs/dbraw/zinc/83/71/70/1255837170.db2.gz MHCFSGWIBOFPIB-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318284 1255837184 /nfs/dbraw/zinc/83/71/84/1255837184.db2.gz MHCFSGWIBOFPIB-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318284 1255837194 /nfs/dbraw/zinc/83/71/94/1255837194.db2.gz MHCFSGWIBOFPIB-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325221 1255842211 /nfs/dbraw/zinc/84/22/11/1255842211.db2.gz WOKNAQCCYQCGDF-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325221 1255842227 /nfs/dbraw/zinc/84/22/27/1255842227.db2.gz WOKNAQCCYQCGDF-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325221 1255842240 /nfs/dbraw/zinc/84/22/40/1255842240.db2.gz WOKNAQCCYQCGDF-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325221 1255842255 /nfs/dbraw/zinc/84/22/55/1255842255.db2.gz WOKNAQCCYQCGDF-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1=O ZINC001080449739 1255894366 /nfs/dbraw/zinc/89/43/66/1255894366.db2.gz XONNVIOQHAYBAP-SQWLQELKSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1=O ZINC001080449739 1255894378 /nfs/dbraw/zinc/89/43/78/1255894378.db2.gz XONNVIOQHAYBAP-SQWLQELKSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1=O ZINC001080449739 1255894390 /nfs/dbraw/zinc/89/43/90/1255894390.db2.gz XONNVIOQHAYBAP-SQWLQELKSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1=O ZINC001080449739 1255894402 /nfs/dbraw/zinc/89/44/02/1255894402.db2.gz XONNVIOQHAYBAP-SQWLQELKSA-N 2 2 363.458 0.927 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(N)=O)C2)no1 ZINC001081137946 1256190591 /nfs/dbraw/zinc/19/05/91/1256190591.db2.gz YCZKPYVEDXRLOS-DOTOQJQBSA-N 2 2 371.441 0.419 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081153947 1256194844 /nfs/dbraw/zinc/19/48/44/1256194844.db2.gz NJULDPODOWVUBT-OKZBNKHCSA-N 2 2 367.453 0.746 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001081189186 1256202201 /nfs/dbraw/zinc/20/22/01/1256202201.db2.gz NQCKGQBUUNBRQA-HYVNUMGLSA-N 2 2 355.442 0.904 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081203483 1256204578 /nfs/dbraw/zinc/20/45/78/1256204578.db2.gz MULBAZQNKFNXHV-ARFHVFGLSA-N 2 2 353.426 0.425 20 0 FCADLP CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001081213750 1256208850 /nfs/dbraw/zinc/20/88/50/1256208850.db2.gz NDRSDSWBBXAABX-LSDHHAIUSA-N 2 2 355.442 0.757 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081233782 1256214152 /nfs/dbraw/zinc/21/41/52/1256214152.db2.gz MOJLBWCRUKQWRO-DLBZAZTESA-N 2 2 365.441 0.796 20 0 FCADLP CO[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481432 1256270819 /nfs/dbraw/zinc/27/08/19/1256270819.db2.gz IRAZGJHFBNMIKE-KURKYZTESA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481432 1256270825 /nfs/dbraw/zinc/27/08/25/1256270825.db2.gz IRAZGJHFBNMIKE-KURKYZTESA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481432 1256270832 /nfs/dbraw/zinc/27/08/32/1256270832.db2.gz IRAZGJHFBNMIKE-KURKYZTESA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481432 1256270837 /nfs/dbraw/zinc/27/08/37/1256270837.db2.gz IRAZGJHFBNMIKE-KURKYZTESA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001081793017 1256372780 /nfs/dbraw/zinc/37/27/80/1256372780.db2.gz NZYJICVVIPGSQH-OWCLPIDISA-N 2 2 358.446 0.473 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001081793017 1256372781 /nfs/dbraw/zinc/37/27/81/1256372781.db2.gz NZYJICVVIPGSQH-OWCLPIDISA-N 2 2 358.446 0.473 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880066 1256427438 /nfs/dbraw/zinc/42/74/38/1256427438.db2.gz IRZWGXIAQHHCBP-APHBMKBZSA-N 2 2 359.430 0.206 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880066 1256427442 /nfs/dbraw/zinc/42/74/42/1256427442.db2.gz IRZWGXIAQHHCBP-APHBMKBZSA-N 2 2 359.430 0.206 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092732 1256531400 /nfs/dbraw/zinc/53/14/00/1256531400.db2.gz MNUNNKFFDVDUPK-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092732 1256531404 /nfs/dbraw/zinc/53/14/04/1256531404.db2.gz MNUNNKFFDVDUPK-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134740 1256552888 /nfs/dbraw/zinc/55/28/88/1256552888.db2.gz ATQCEZKSKWVYMA-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134740 1256552891 /nfs/dbraw/zinc/55/28/91/1256552891.db2.gz ATQCEZKSKWVYMA-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134740 1256552896 /nfs/dbraw/zinc/55/28/96/1256552896.db2.gz ATQCEZKSKWVYMA-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134740 1256552901 /nfs/dbraw/zinc/55/29/01/1256552901.db2.gz ATQCEZKSKWVYMA-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082139230 1256556837 /nfs/dbraw/zinc/55/68/37/1256556837.db2.gz KAACSISEJWWZDV-KBRIMQKVSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082139230 1256556843 /nfs/dbraw/zinc/55/68/43/1256556843.db2.gz KAACSISEJWWZDV-KBRIMQKVSA-N 2 2 366.462 0.734 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241227 1256604618 /nfs/dbraw/zinc/60/46/18/1256604618.db2.gz IGGXAVMHJADYRP-KBRIMQKVSA-N 2 2 362.474 0.312 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241227 1256604626 /nfs/dbraw/zinc/60/46/26/1256604626.db2.gz IGGXAVMHJADYRP-KBRIMQKVSA-N 2 2 362.474 0.312 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241226 1256605336 /nfs/dbraw/zinc/60/53/36/1256605336.db2.gz IGGXAVMHJADYRP-IAOVAPTHSA-N 2 2 362.474 0.312 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241226 1256605342 /nfs/dbraw/zinc/60/53/42/1256605342.db2.gz IGGXAVMHJADYRP-IAOVAPTHSA-N 2 2 362.474 0.312 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001082276314 1256626030 /nfs/dbraw/zinc/62/60/30/1256626030.db2.gz IBGNZHOUXPFFLD-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291147 1256636770 /nfs/dbraw/zinc/63/67/70/1256636770.db2.gz CNDDUKBOFXKKSE-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291147 1256636773 /nfs/dbraw/zinc/63/67/73/1256636773.db2.gz CNDDUKBOFXKKSE-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327205 1256667609 /nfs/dbraw/zinc/66/76/09/1256667609.db2.gz INGPLOVXCUFGOE-IAGOWNOFSA-N 2 2 360.462 0.292 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327205 1256667617 /nfs/dbraw/zinc/66/76/17/1256667617.db2.gz INGPLOVXCUFGOE-IAGOWNOFSA-N 2 2 360.462 0.292 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371750 1256721899 /nfs/dbraw/zinc/72/18/99/1256721899.db2.gz YZJWJQVCBYCOIZ-HZPDHXFCSA-N 2 2 363.462 0.019 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371750 1256721904 /nfs/dbraw/zinc/72/19/04/1256721904.db2.gz YZJWJQVCBYCOIZ-HZPDHXFCSA-N 2 2 363.462 0.019 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395068 1256744729 /nfs/dbraw/zinc/74/47/29/1256744729.db2.gz TVMWCMALTXHYSO-KZNAEPCWSA-N 2 2 358.442 0.302 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395068 1256744734 /nfs/dbraw/zinc/74/47/34/1256744734.db2.gz TVMWCMALTXHYSO-KZNAEPCWSA-N 2 2 358.442 0.302 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+][C@H]4CCN(C)C4=O)C3)ccn12 ZINC001082511549 1256797184 /nfs/dbraw/zinc/79/71/84/1256797184.db2.gz ANLJGKUINNUSMF-UHOFOFEASA-N 2 2 355.442 0.924 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+][C@H](C)c4nnnn4C)C3)ccn12 ZINC001082511813 1256797353 /nfs/dbraw/zinc/79/73/53/1256797353.db2.gz RRVQGJPJPJRHFU-UXIGCNINSA-N 2 2 368.445 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082601472 1256911663 /nfs/dbraw/zinc/91/16/63/1256911663.db2.gz DIWRUQZWHPTCEG-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601174 1256912618 /nfs/dbraw/zinc/91/26/18/1256912618.db2.gz OGLDTYWHSCCSDN-JKIFEVAISA-N 2 2 357.462 0.694 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082603257 1256913272 /nfs/dbraw/zinc/91/32/72/1256913272.db2.gz RFABCLUHCCPKPM-DJIMGWMZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082604104 1256914320 /nfs/dbraw/zinc/91/43/20/1256914320.db2.gz CQVUUAMPJSWBOD-IIDMSEBBSA-N 2 2 356.474 0.858 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)nn1 ZINC001082604502 1256916110 /nfs/dbraw/zinc/91/61/10/1256916110.db2.gz RTNZOJOGBVZMOA-CKEIUWERSA-N 2 2 370.457 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082604629 1256916514 /nfs/dbraw/zinc/91/65/14/1256916514.db2.gz WFGJJHLQDXJVQY-BFYDXBDKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)c1nnnn1C ZINC001082608906 1256919117 /nfs/dbraw/zinc/91/91/17/1256919117.db2.gz FZCQDCMHLKMMHA-JTNHKYCSSA-N 2 2 362.438 0.071 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)c1nnnn1C ZINC001082608907 1256919152 /nfs/dbraw/zinc/91/91/52/1256919152.db2.gz FZCQDCMHLKMMHA-UHIISALHSA-N 2 2 362.438 0.071 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082640816 1256945082 /nfs/dbraw/zinc/94/50/82/1256945082.db2.gz YALLTCSUQMCMBG-JHJVBQTASA-N 2 2 355.398 0.190 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]Cc1nncn1C ZINC001082647345 1256952497 /nfs/dbraw/zinc/95/24/97/1256952497.db2.gz GBNHOXABRINPIA-UKRRQHHQSA-N 2 2 357.462 0.527 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082664142 1256966891 /nfs/dbraw/zinc/96/68/91/1256966891.db2.gz XLVYZSGMSDVDBV-BRWVUGGUSA-N 2 2 364.494 0.216 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082664142 1256966892 /nfs/dbraw/zinc/96/68/92/1256966892.db2.gz XLVYZSGMSDVDBV-BRWVUGGUSA-N 2 2 364.494 0.216 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082673698 1256972656 /nfs/dbraw/zinc/97/26/56/1256972656.db2.gz HWQWBIVGMNDCNZ-CZUORRHYSA-N 2 2 359.430 0.971 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001082673566 1256973025 /nfs/dbraw/zinc/97/30/25/1256973025.db2.gz XRCNFHBXLKYUHM-ZIAGYGMSSA-N 2 2 359.434 0.032 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)n3)C1)CC2 ZINC001082708709 1257001242 /nfs/dbraw/zinc/00/12/42/1257001242.db2.gz JBRHUXAAXPMXQK-HACGYAERSA-N 2 2 357.462 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)n3)C1)C2 ZINC001082743180 1257022340 /nfs/dbraw/zinc/02/23/40/1257022340.db2.gz MGAGYKNATWFPCU-SUYBPPKGSA-N 2 2 357.462 0.519 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082743510 1257023883 /nfs/dbraw/zinc/02/38/83/1257023883.db2.gz HMVKJGJWNCEYBP-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082743510 1257023891 /nfs/dbraw/zinc/02/38/91/1257023891.db2.gz HMVKJGJWNCEYBP-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C)C(N)=O ZINC001082776560 1257044520 /nfs/dbraw/zinc/04/45/20/1257044520.db2.gz IGLOULOSPFXINA-BZUAXINKSA-N 2 2 366.506 0.332 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001082861276 1257112390 /nfs/dbraw/zinc/11/23/90/1257112390.db2.gz UEDSALMLALTQJN-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001082884095 1257122727 /nfs/dbraw/zinc/12/27/27/1257122727.db2.gz CSPSOLMRDHVZIU-IAQYHMDHSA-N 2 2 369.429 0.233 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001082922720 1257146429 /nfs/dbraw/zinc/14/64/29/1257146429.db2.gz XVDKISUXIJBIOJ-TZMCWYRMSA-N 2 2 360.466 0.570 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)on1 ZINC001082923373 1257146608 /nfs/dbraw/zinc/14/66/08/1257146608.db2.gz GVPBSUZTZFAGKK-IJEWVQPXSA-N 2 2 366.462 0.588 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)C1 ZINC001082934122 1257154189 /nfs/dbraw/zinc/15/41/89/1257154189.db2.gz ZXADVYMIZJDXJR-BZUAXINKSA-N 2 2 364.494 0.516 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)C1 ZINC001082934122 1257154191 /nfs/dbraw/zinc/15/41/91/1257154191.db2.gz ZXADVYMIZJDXJR-BZUAXINKSA-N 2 2 364.494 0.516 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082934234 1257154860 /nfs/dbraw/zinc/15/48/60/1257154860.db2.gz DYNFCZZJGGSGMB-OLMNPRSZSA-N 2 2 361.490 0.467 20 0 FCADLP Cc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@H]3C2)c1 ZINC001083034705 1257227352 /nfs/dbraw/zinc/22/73/52/1257227352.db2.gz OGGRNSNXLXYMAC-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@H]3C2)c1 ZINC001083034705 1257227357 /nfs/dbraw/zinc/22/73/57/1257227357.db2.gz OGGRNSNXLXYMAC-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@H]3C2)c1 ZINC001083034705 1257227365 /nfs/dbraw/zinc/22/73/65/1257227365.db2.gz OGGRNSNXLXYMAC-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@H]3C2)c1 ZINC001083034705 1257227369 /nfs/dbraw/zinc/22/73/69/1257227369.db2.gz OGGRNSNXLXYMAC-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21 ZINC001083080109 1257277963 /nfs/dbraw/zinc/27/79/63/1257277963.db2.gz GNVXRKJTWKKIPH-OKZBNKHCSA-N 2 2 361.490 0.705 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21 ZINC001083080109 1257277968 /nfs/dbraw/zinc/27/79/68/1257277968.db2.gz GNVXRKJTWKKIPH-OKZBNKHCSA-N 2 2 361.490 0.705 20 0 FCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088736 1257290179 /nfs/dbraw/zinc/29/01/79/1257290179.db2.gz AJNSNOOINSHOLG-IXDOHACOSA-N 2 2 363.462 0.084 20 0 FCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088736 1257290182 /nfs/dbraw/zinc/29/01/82/1257290182.db2.gz AJNSNOOINSHOLG-IXDOHACOSA-N 2 2 363.462 0.084 20 0 FCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088736 1257290185 /nfs/dbraw/zinc/29/01/85/1257290185.db2.gz AJNSNOOINSHOLG-IXDOHACOSA-N 2 2 363.462 0.084 20 0 FCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088736 1257290186 /nfs/dbraw/zinc/29/01/86/1257290186.db2.gz AJNSNOOINSHOLG-IXDOHACOSA-N 2 2 363.462 0.084 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089790 1257291323 /nfs/dbraw/zinc/29/13/23/1257291323.db2.gz UQLLIHWRTRFOKF-HYVNUMGLSA-N 2 2 362.474 0.708 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089790 1257291328 /nfs/dbraw/zinc/29/13/28/1257291328.db2.gz UQLLIHWRTRFOKF-HYVNUMGLSA-N 2 2 362.474 0.708 20 0 FCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083105413 1257318952 /nfs/dbraw/zinc/31/89/52/1257318952.db2.gz YYWPKHDXWAEQRY-IXDOHACOSA-N 2 2 370.457 0.569 20 0 FCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083105413 1257318956 /nfs/dbraw/zinc/31/89/56/1257318956.db2.gz YYWPKHDXWAEQRY-IXDOHACOSA-N 2 2 370.457 0.569 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139960 1257389061 /nfs/dbraw/zinc/38/90/61/1257389061.db2.gz DHRHVNKQQFVCQY-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139960 1257389070 /nfs/dbraw/zinc/38/90/70/1257389070.db2.gz DHRHVNKQQFVCQY-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140137 1257389243 /nfs/dbraw/zinc/38/92/43/1257389243.db2.gz ODCUELBLYJRWOH-XOKHGSTOSA-N 2 2 357.414 0.173 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140137 1257389252 /nfs/dbraw/zinc/38/92/52/1257389252.db2.gz ODCUELBLYJRWOH-XOKHGSTOSA-N 2 2 357.414 0.173 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083151788 1257407700 /nfs/dbraw/zinc/40/77/00/1257407700.db2.gz ULDWISKJDXYCCU-YESZJQIVSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083151788 1257407702 /nfs/dbraw/zinc/40/77/02/1257407702.db2.gz ULDWISKJDXYCCU-YESZJQIVSA-N 2 2 362.474 0.691 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001521342603 1266113933 /nfs/dbraw/zinc/11/39/33/1266113933.db2.gz LZIQEQRDFLEKEV-KZNAEPCWSA-N 2 2 369.554 0.763 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001521342603 1266113935 /nfs/dbraw/zinc/11/39/35/1266113935.db2.gz LZIQEQRDFLEKEV-KZNAEPCWSA-N 2 2 369.554 0.763 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182436 1257443245 /nfs/dbraw/zinc/44/32/45/1257443245.db2.gz DUEHBELYXFPSFS-ZWKOTPCHSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182436 1257443249 /nfs/dbraw/zinc/44/32/49/1257443249.db2.gz DUEHBELYXFPSFS-ZWKOTPCHSA-N 2 2 362.474 0.990 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182928 1257444237 /nfs/dbraw/zinc/44/42/37/1257444237.db2.gz DUKZMDQAKMFSON-FHLIZLRMSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182928 1257444240 /nfs/dbraw/zinc/44/42/40/1257444240.db2.gz DUKZMDQAKMFSON-FHLIZLRMSA-N 2 2 359.474 0.791 20 0 FCADLP COc1ccc(C)cc1C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645388 1257463348 /nfs/dbraw/zinc/46/33/48/1257463348.db2.gz YOHZFMMGTMSAIX-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C)cc1C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645388 1257463352 /nfs/dbraw/zinc/46/33/52/1257463352.db2.gz YOHZFMMGTMSAIX-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC1 ZINC001083750384 1257488761 /nfs/dbraw/zinc/48/87/61/1257488761.db2.gz UKNKQJWBAVWDDJ-MSOLQXFVSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC1 ZINC001083750384 1257488763 /nfs/dbraw/zinc/48/87/63/1257488763.db2.gz UKNKQJWBAVWDDJ-MSOLQXFVSA-N 2 2 365.449 0.321 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@@H]1O)C2 ZINC001083780662 1257523203 /nfs/dbraw/zinc/52/32/03/1257523203.db2.gz FXHCIVKIPOLBPT-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@@H]1O)C2 ZINC001083780662 1257523207 /nfs/dbraw/zinc/52/32/07/1257523207.db2.gz FXHCIVKIPOLBPT-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@@H]1O)C2 ZINC001083781085 1257523482 /nfs/dbraw/zinc/52/34/82/1257523482.db2.gz UFOZBKFUFBRXRX-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@@H]1O)C2 ZINC001083781085 1257523486 /nfs/dbraw/zinc/52/34/86/1257523486.db2.gz UFOZBKFUFBRXRX-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781799 1257525911 /nfs/dbraw/zinc/52/59/11/1257525911.db2.gz WBXHBJIAOGBMDT-QGTPRVQTSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781799 1257525916 /nfs/dbraw/zinc/52/59/16/1257525916.db2.gz WBXHBJIAOGBMDT-QGTPRVQTSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781799 1257525920 /nfs/dbraw/zinc/52/59/20/1257525920.db2.gz WBXHBJIAOGBMDT-QGTPRVQTSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781799 1257525924 /nfs/dbraw/zinc/52/59/24/1257525924.db2.gz WBXHBJIAOGBMDT-QGTPRVQTSA-N 2 2 363.506 0.776 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cn1 ZINC001083789770 1257541063 /nfs/dbraw/zinc/54/10/63/1257541063.db2.gz VLKLYWABINLOFP-KONPQCLYSA-N 2 2 372.473 0.144 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cn1 ZINC001083789770 1257541069 /nfs/dbraw/zinc/54/10/69/1257541069.db2.gz VLKLYWABINLOFP-KONPQCLYSA-N 2 2 372.473 0.144 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831506 1257584678 /nfs/dbraw/zinc/58/46/78/1257584678.db2.gz PBGKCXITYUZWQV-NXHRZFHOSA-N 2 2 363.506 0.654 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831506 1257584680 /nfs/dbraw/zinc/58/46/80/1257584680.db2.gz PBGKCXITYUZWQV-NXHRZFHOSA-N 2 2 363.506 0.654 20 0 FCADLP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001521482241 1266126241 /nfs/dbraw/zinc/12/62/41/1266126241.db2.gz JCYXCRHBTRFZCH-UYAOXDASSA-N 2 2 361.486 0.551 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)CC1 ZINC001083889587 1257662201 /nfs/dbraw/zinc/66/22/01/1257662201.db2.gz XUPFDEGJLADJSY-MOPGFXCFSA-N 2 2 361.486 0.959 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)CC1 ZINC001083889587 1257662207 /nfs/dbraw/zinc/66/22/07/1257662207.db2.gz XUPFDEGJLADJSY-MOPGFXCFSA-N 2 2 361.486 0.959 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083939060 1257724378 /nfs/dbraw/zinc/72/43/78/1257724378.db2.gz VTNYLXMOHJFHGM-ZACQAIPSSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083939060 1257724382 /nfs/dbraw/zinc/72/43/82/1257724382.db2.gz VTNYLXMOHJFHGM-ZACQAIPSSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083939060 1257724386 /nfs/dbraw/zinc/72/43/86/1257724386.db2.gz VTNYLXMOHJFHGM-ZACQAIPSSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083939060 1257724393 /nfs/dbraw/zinc/72/43/93/1257724393.db2.gz VTNYLXMOHJFHGM-ZACQAIPSSA-N 2 2 364.494 0.094 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953509 1257742116 /nfs/dbraw/zinc/74/21/16/1257742116.db2.gz VLFDHUONXOUVFF-OIISXLGYSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953509 1257742124 /nfs/dbraw/zinc/74/21/24/1257742124.db2.gz VLFDHUONXOUVFF-OIISXLGYSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953509 1257742128 /nfs/dbraw/zinc/74/21/28/1257742128.db2.gz VLFDHUONXOUVFF-OIISXLGYSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953509 1257742132 /nfs/dbraw/zinc/74/21/32/1257742132.db2.gz VLFDHUONXOUVFF-OIISXLGYSA-N 2 2 362.474 0.483 20 0 FCADLP CC(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)n1 ZINC001083958467 1257748079 /nfs/dbraw/zinc/74/80/79/1257748079.db2.gz ILRFGEHFTBOFJI-MSOLQXFVSA-N 2 2 358.486 0.962 20 0 FCADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)n1 ZINC001083958467 1257748081 /nfs/dbraw/zinc/74/80/81/1257748081.db2.gz ILRFGEHFTBOFJI-MSOLQXFVSA-N 2 2 358.486 0.962 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053997 1257865796 /nfs/dbraw/zinc/86/57/96/1257865796.db2.gz SJQGTIZMRQBSJU-IPELMVKDSA-N 2 2 370.453 0.955 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053997 1257865808 /nfs/dbraw/zinc/86/58/08/1257865808.db2.gz SJQGTIZMRQBSJU-IPELMVKDSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053997 1257865819 /nfs/dbraw/zinc/86/58/19/1257865819.db2.gz SJQGTIZMRQBSJU-IPELMVKDSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053997 1257865830 /nfs/dbraw/zinc/86/58/30/1257865830.db2.gz SJQGTIZMRQBSJU-IPELMVKDSA-N 2 2 370.453 0.955 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001084057647 1257870575 /nfs/dbraw/zinc/87/05/75/1257870575.db2.gz VESSBJXUOULHOG-MSOLQXFVSA-N 2 2 359.470 0.985 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001084057647 1257870582 /nfs/dbraw/zinc/87/05/82/1257870582.db2.gz VESSBJXUOULHOG-MSOLQXFVSA-N 2 2 359.470 0.985 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001084057946 1257871289 /nfs/dbraw/zinc/87/12/89/1257871289.db2.gz BRHDIKDATIAOCY-MSOLQXFVSA-N 2 2 354.454 0.992 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001084057946 1257871293 /nfs/dbraw/zinc/87/12/93/1257871293.db2.gz BRHDIKDATIAOCY-MSOLQXFVSA-N 2 2 354.454 0.992 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001084060458 1257879416 /nfs/dbraw/zinc/87/94/16/1257879416.db2.gz ZDEQBHXOYUCUBZ-IKGGRYGDSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001084060458 1257879428 /nfs/dbraw/zinc/87/94/28/1257879428.db2.gz ZDEQBHXOYUCUBZ-IKGGRYGDSA-N 2 2 362.405 0.226 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078129 1257905610 /nfs/dbraw/zinc/90/56/10/1257905610.db2.gz NWBGAXHUONJFRX-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078129 1257905614 /nfs/dbraw/zinc/90/56/14/1257905614.db2.gz NWBGAXHUONJFRX-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078129 1257905622 /nfs/dbraw/zinc/90/56/22/1257905622.db2.gz NWBGAXHUONJFRX-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@@H]2O)C1 ZINC001084078129 1257905625 /nfs/dbraw/zinc/90/56/25/1257905625.db2.gz NWBGAXHUONJFRX-SQNIBIBYSA-N 2 2 365.449 0.516 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001521615900 1266150269 /nfs/dbraw/zinc/15/02/69/1266150269.db2.gz GXUVRVHJQGSJMJ-KRWDZBQOSA-N 2 2 355.527 0.375 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC001331118372 1266150885 /nfs/dbraw/zinc/15/08/85/1266150885.db2.gz HSGWMMNHGHPXKK-LUKYLMHMSA-N 2 2 366.506 0.380 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349372 1258042590 /nfs/dbraw/zinc/04/25/90/1258042590.db2.gz IPVOLJPHDDWSDN-KBAYOESNSA-N 2 2 358.490 0.673 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349372 1258042596 /nfs/dbraw/zinc/04/25/96/1258042596.db2.gz IPVOLJPHDDWSDN-KBAYOESNSA-N 2 2 358.490 0.673 20 0 FCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084352041 1258045161 /nfs/dbraw/zinc/04/51/61/1258045161.db2.gz NLSMINDLOSQGFR-CRAIPNDOSA-N 2 2 371.489 0.525 20 0 FCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084352041 1258045165 /nfs/dbraw/zinc/04/51/65/1258045165.db2.gz NLSMINDLOSQGFR-CRAIPNDOSA-N 2 2 371.489 0.525 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084406829 1258087005 /nfs/dbraw/zinc/08/70/05/1258087005.db2.gz ZYXMGQWGCMOXGQ-IXDOHACOSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084406829 1258087015 /nfs/dbraw/zinc/08/70/15/1258087015.db2.gz ZYXMGQWGCMOXGQ-IXDOHACOSA-N 2 2 371.485 0.916 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001084561101 1258170201 /nfs/dbraw/zinc/17/02/01/1258170201.db2.gz SLSGSKXSVGWHNY-BRWVUGGUSA-N 2 2 358.446 0.064 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001084561101 1258170205 /nfs/dbraw/zinc/17/02/05/1258170205.db2.gz SLSGSKXSVGWHNY-BRWVUGGUSA-N 2 2 358.446 0.064 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607752 1258196174 /nfs/dbraw/zinc/19/61/74/1258196174.db2.gz GXKFSPXHNQVEHD-NXHRZFHOSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607752 1258196179 /nfs/dbraw/zinc/19/61/79/1258196179.db2.gz GXKFSPXHNQVEHD-NXHRZFHOSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607752 1258196181 /nfs/dbraw/zinc/19/61/81/1258196181.db2.gz GXKFSPXHNQVEHD-NXHRZFHOSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607752 1258196185 /nfs/dbraw/zinc/19/61/85/1258196185.db2.gz GXKFSPXHNQVEHD-NXHRZFHOSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662318 1258224026 /nfs/dbraw/zinc/22/40/26/1258224026.db2.gz FJJNFPFUOMJLHJ-BFYDXBDKSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662318 1258224031 /nfs/dbraw/zinc/22/40/31/1258224031.db2.gz FJJNFPFUOMJLHJ-BFYDXBDKSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662318 1258224035 /nfs/dbraw/zinc/22/40/35/1258224035.db2.gz FJJNFPFUOMJLHJ-BFYDXBDKSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662318 1258224041 /nfs/dbraw/zinc/22/40/41/1258224041.db2.gz FJJNFPFUOMJLHJ-BFYDXBDKSA-N 2 2 362.518 0.918 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662425 1258224331 /nfs/dbraw/zinc/22/43/31/1258224331.db2.gz JKVSOWQKWJNWRU-YXJHDRRASA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662425 1258224338 /nfs/dbraw/zinc/22/43/38/1258224338.db2.gz JKVSOWQKWJNWRU-YXJHDRRASA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662425 1258224341 /nfs/dbraw/zinc/22/43/41/1258224341.db2.gz JKVSOWQKWJNWRU-YXJHDRRASA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662425 1258224349 /nfs/dbraw/zinc/22/43/49/1258224349.db2.gz JKVSOWQKWJNWRU-YXJHDRRASA-N 2 2 360.506 0.981 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084694433 1258248597 /nfs/dbraw/zinc/24/85/97/1258248597.db2.gz CZAXSZOPTNBFMC-HZPDHXFCSA-N 2 2 357.462 0.831 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084694433 1258248602 /nfs/dbraw/zinc/24/86/02/1258248602.db2.gz CZAXSZOPTNBFMC-HZPDHXFCSA-N 2 2 357.462 0.831 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722445 1258267377 /nfs/dbraw/zinc/26/73/77/1258267377.db2.gz PKSBPMZIIQUPNL-LZLYRXPVSA-N 2 2 359.474 0.793 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722445 1258267382 /nfs/dbraw/zinc/26/73/82/1258267382.db2.gz PKSBPMZIIQUPNL-LZLYRXPVSA-N 2 2 359.474 0.793 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC1 ZINC001084738567 1258280009 /nfs/dbraw/zinc/28/00/09/1258280009.db2.gz PSAYOASTEBAHSI-SJLPKXTDSA-N 2 2 362.518 0.872 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C4CC4)C[C@H]32)CC1 ZINC001084738567 1258280014 /nfs/dbraw/zinc/28/00/14/1258280014.db2.gz PSAYOASTEBAHSI-SJLPKXTDSA-N 2 2 362.518 0.872 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084775559 1258317144 /nfs/dbraw/zinc/31/71/44/1258317144.db2.gz LJLOCBDEIFETSY-IIAWOOMASA-N 2 2 355.446 0.274 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084775559 1258317153 /nfs/dbraw/zinc/31/71/53/1258317153.db2.gz LJLOCBDEIFETSY-IIAWOOMASA-N 2 2 355.446 0.274 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001084779707 1258321353 /nfs/dbraw/zinc/32/13/53/1258321353.db2.gz WGKGCXMQWWJADI-CRAIPNDOSA-N 2 2 371.485 0.916 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001084779707 1258321361 /nfs/dbraw/zinc/32/13/61/1258321361.db2.gz WGKGCXMQWWJADI-CRAIPNDOSA-N 2 2 371.485 0.916 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001331293339 1266184775 /nfs/dbraw/zinc/18/47/75/1266184775.db2.gz ZGEVUHMKTZHLSU-FRQCXROJSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001331293339 1266184776 /nfs/dbraw/zinc/18/47/76/1266184776.db2.gz ZGEVUHMKTZHLSU-FRQCXROJSA-N 2 2 368.522 0.774 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21)NC1CC1 ZINC001084974738 1258486206 /nfs/dbraw/zinc/48/62/06/1258486206.db2.gz SNMYAQSEPHCGHQ-VKJFTORMSA-N 2 2 371.485 0.647 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21)NC1CC1 ZINC001084974738 1258486211 /nfs/dbraw/zinc/48/62/11/1258486211.db2.gz SNMYAQSEPHCGHQ-VKJFTORMSA-N 2 2 371.485 0.647 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001084981945 1258494200 /nfs/dbraw/zinc/49/42/00/1258494200.db2.gz SNXJDLMMBWFSRO-PBHICJAKSA-N 2 2 355.442 0.959 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001084981945 1258494203 /nfs/dbraw/zinc/49/42/03/1258494203.db2.gz SNXJDLMMBWFSRO-PBHICJAKSA-N 2 2 355.442 0.959 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001085014819 1258520989 /nfs/dbraw/zinc/52/09/89/1258520989.db2.gz GHSQUPLVHWEDGB-NEWSRXKRSA-N 2 2 365.518 0.935 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001085014819 1258520992 /nfs/dbraw/zinc/52/09/92/1258520992.db2.gz GHSQUPLVHWEDGB-NEWSRXKRSA-N 2 2 365.518 0.935 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001085014819 1258520995 /nfs/dbraw/zinc/52/09/95/1258520995.db2.gz GHSQUPLVHWEDGB-NEWSRXKRSA-N 2 2 365.518 0.935 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001085014819 1258520998 /nfs/dbraw/zinc/52/09/98/1258520998.db2.gz GHSQUPLVHWEDGB-NEWSRXKRSA-N 2 2 365.518 0.935 20 0 FCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)cn1 ZINC001085075453 1258570474 /nfs/dbraw/zinc/57/04/74/1258570474.db2.gz KYNGGHOSRORBQN-AEFFLSMTSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)cn1 ZINC001085075453 1258570478 /nfs/dbraw/zinc/57/04/78/1258570478.db2.gz KYNGGHOSRORBQN-AEFFLSMTSA-N 2 2 356.474 0.862 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1C ZINC001085092982 1258587345 /nfs/dbraw/zinc/58/73/45/1258587345.db2.gz YTNUTPLUZOYMRC-OAGGEKHMSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1C ZINC001085092982 1258587349 /nfs/dbraw/zinc/58/73/49/1258587349.db2.gz YTNUTPLUZOYMRC-OAGGEKHMSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1C ZINC001085092982 1258587354 /nfs/dbraw/zinc/58/73/54/1258587354.db2.gz YTNUTPLUZOYMRC-OAGGEKHMSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1C ZINC001085092982 1258587360 /nfs/dbraw/zinc/58/73/60/1258587360.db2.gz YTNUTPLUZOYMRC-OAGGEKHMSA-N 2 2 360.506 0.752 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001085207051 1258631568 /nfs/dbraw/zinc/63/15/68/1258631568.db2.gz ABOXTNJTSTVUJW-BZUAXINKSA-N 2 2 359.474 0.667 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]2C1 ZINC001088159145 1258673149 /nfs/dbraw/zinc/67/31/49/1258673149.db2.gz FEUNZSCQWJJPHH-ZNMIVQPWSA-N 2 2 368.441 0.535 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]2C1 ZINC001088159145 1258673154 /nfs/dbraw/zinc/67/31/54/1258673154.db2.gz FEUNZSCQWJJPHH-ZNMIVQPWSA-N 2 2 368.441 0.535 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199328 1258719541 /nfs/dbraw/zinc/71/95/41/1258719541.db2.gz KLRSTCZSEFIFJZ-IKGGRYGDSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199328 1258719544 /nfs/dbraw/zinc/71/95/44/1258719544.db2.gz KLRSTCZSEFIFJZ-IKGGRYGDSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199328 1258719547 /nfs/dbraw/zinc/71/95/47/1258719547.db2.gz KLRSTCZSEFIFJZ-IKGGRYGDSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199328 1258719550 /nfs/dbraw/zinc/71/95/50/1258719550.db2.gz KLRSTCZSEFIFJZ-IKGGRYGDSA-N 2 2 360.506 0.838 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1C ZINC001088199606 1258720076 /nfs/dbraw/zinc/72/00/76/1258720076.db2.gz VPZNLBHFNLEGNV-PMPSAXMXSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1C ZINC001088199606 1258720087 /nfs/dbraw/zinc/72/00/87/1258720087.db2.gz VPZNLBHFNLEGNV-PMPSAXMXSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1C ZINC001088199606 1258720089 /nfs/dbraw/zinc/72/00/89/1258720089.db2.gz VPZNLBHFNLEGNV-PMPSAXMXSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1C ZINC001088199606 1258720093 /nfs/dbraw/zinc/72/00/93/1258720093.db2.gz VPZNLBHFNLEGNV-PMPSAXMXSA-N 2 2 360.506 0.610 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088201968 1258724839 /nfs/dbraw/zinc/72/48/39/1258724839.db2.gz DHEVQKUKGKILGF-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088201968 1258724840 /nfs/dbraw/zinc/72/48/40/1258724840.db2.gz DHEVQKUKGKILGF-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219713 1258740397 /nfs/dbraw/zinc/74/03/97/1258740397.db2.gz RHBMGLZPYDVEIW-CABCVRRESA-N 2 2 356.430 0.662 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219713 1258740400 /nfs/dbraw/zinc/74/04/00/1258740400.db2.gz RHBMGLZPYDVEIW-CABCVRRESA-N 2 2 356.430 0.662 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c(C)n1 ZINC001088219761 1258741421 /nfs/dbraw/zinc/74/14/21/1258741421.db2.gz UZQMVXFMWLBPJH-WBVHZDCISA-N 2 2 370.457 0.971 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c(C)n1 ZINC001088219761 1258741426 /nfs/dbraw/zinc/74/14/26/1258741426.db2.gz UZQMVXFMWLBPJH-WBVHZDCISA-N 2 2 370.457 0.971 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725900 1258803825 /nfs/dbraw/zinc/80/38/25/1258803825.db2.gz RIKGKEMJDRBSBU-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725900 1258803836 /nfs/dbraw/zinc/80/38/36/1258803836.db2.gz RIKGKEMJDRBSBU-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725900 1258803846 /nfs/dbraw/zinc/80/38/46/1258803846.db2.gz RIKGKEMJDRBSBU-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725900 1258803857 /nfs/dbraw/zinc/80/38/57/1258803857.db2.gz RIKGKEMJDRBSBU-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724637 1258818248 /nfs/dbraw/zinc/81/82/48/1258818248.db2.gz QAOWNWUOFJAXNC-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724637 1258818251 /nfs/dbraw/zinc/81/82/51/1258818251.db2.gz QAOWNWUOFJAXNC-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724637 1258818256 /nfs/dbraw/zinc/81/82/56/1258818256.db2.gz QAOWNWUOFJAXNC-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724637 1258818266 /nfs/dbraw/zinc/81/82/66/1258818266.db2.gz QAOWNWUOFJAXNC-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782709 1258844985 /nfs/dbraw/zinc/84/49/85/1258844985.db2.gz WOQPESWCMNPYHS-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782709 1258844996 /nfs/dbraw/zinc/84/49/96/1258844996.db2.gz WOQPESWCMNPYHS-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001100341328 1258908379 /nfs/dbraw/zinc/90/83/79/1258908379.db2.gz SADMWKSJVGNBHP-PRLABOORSA-N 2 2 359.474 0.384 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104364101 1258915846 /nfs/dbraw/zinc/91/58/46/1258915846.db2.gz WZWSCNBJDBTXSL-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104364109 1258915960 /nfs/dbraw/zinc/91/59/60/1258915960.db2.gz XQKSSLVTTXAVMM-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621342 1258929119 /nfs/dbraw/zinc/92/91/19/1258929119.db2.gz GJHGFGOLVLPRMJ-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621342 1258929123 /nfs/dbraw/zinc/92/91/23/1258929123.db2.gz GJHGFGOLVLPRMJ-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106621678 1258929409 /nfs/dbraw/zinc/92/94/09/1258929409.db2.gz YTOCVTBXRYHVLR-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106621678 1258929415 /nfs/dbraw/zinc/92/94/15/1258929415.db2.gz YTOCVTBXRYHVLR-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106704838 1258943286 /nfs/dbraw/zinc/94/32/86/1258943286.db2.gz DVWYAIVRUUECFN-CHWSQXEVSA-N 2 2 357.418 0.065 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(N)=O ZINC001106869426 1258982434 /nfs/dbraw/zinc/98/24/34/1258982434.db2.gz DOQXVGWEEWTTLT-MGPQQGTHSA-N 2 2 356.430 0.439 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106874382 1258985398 /nfs/dbraw/zinc/98/53/98/1258985398.db2.gz GBQDDHJZNBHHPP-HUUCEWRRSA-N 2 2 361.490 0.994 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106874467 1258985441 /nfs/dbraw/zinc/98/54/41/1258985441.db2.gz JMBBPLGWGSSBNQ-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC001106923046 1258996726 /nfs/dbraw/zinc/99/67/26/1258996726.db2.gz ZLHRYTLWMPZHSR-CZUORRHYSA-N 2 2 361.490 0.813 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)on1 ZINC001107077567 1259028339 /nfs/dbraw/zinc/02/83/39/1259028339.db2.gz KFXDKSVJJZKDAC-TZMCWYRMSA-N 2 2 360.418 0.502 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)no1 ZINC001107078676 1259029366 /nfs/dbraw/zinc/02/93/66/1259029366.db2.gz JFPIVICHWDVIPM-TZMCWYRMSA-N 2 2 360.418 0.502 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107472816 1259097854 /nfs/dbraw/zinc/09/78/54/1259097854.db2.gz KNAHMGLEJMADEY-RHSMWYFYSA-N 2 2 358.450 0.276 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107472816 1259097860 /nfs/dbraw/zinc/09/78/60/1259097860.db2.gz KNAHMGLEJMADEY-RHSMWYFYSA-N 2 2 358.450 0.276 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)n1)CC2 ZINC001107472726 1259098890 /nfs/dbraw/zinc/09/88/90/1259098890.db2.gz DWVAWXXJRNGUBX-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnn(C)n1)CC2 ZINC001107472726 1259098893 /nfs/dbraw/zinc/09/88/93/1259098893.db2.gz DWVAWXXJRNGUBX-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481251 1259101003 /nfs/dbraw/zinc/10/10/03/1259101003.db2.gz PCEWWWTUASRDTH-DNVCBOLYSA-N 2 2 361.490 0.802 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481251 1259101005 /nfs/dbraw/zinc/10/10/05/1259101005.db2.gz PCEWWWTUASRDTH-DNVCBOLYSA-N 2 2 361.490 0.802 20 0 FCADLP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2)[NH+](C)C ZINC001107538830 1259110311 /nfs/dbraw/zinc/11/03/11/1259110311.db2.gz XCARPONFQPCAPJ-QGPMSJSTSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2)[NH+](C)C ZINC001107538830 1259110315 /nfs/dbraw/zinc/11/03/15/1259110315.db2.gz XCARPONFQPCAPJ-QGPMSJSTSA-N 2 2 363.510 0.657 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107622581 1259135635 /nfs/dbraw/zinc/13/56/35/1259135635.db2.gz MADOFDSDAGLEGM-IEBWSBKVSA-N 2 2 364.490 0.722 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107622581 1259135641 /nfs/dbraw/zinc/13/56/41/1259135641.db2.gz MADOFDSDAGLEGM-IEBWSBKVSA-N 2 2 364.490 0.722 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001127547177 1259179206 /nfs/dbraw/zinc/17/92/06/1259179206.db2.gz DRUBJXOYXLDWFF-HZPDHXFCSA-N 2 2 359.474 0.482 20 0 FCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127570941 1259180186 /nfs/dbraw/zinc/18/01/86/1259180186.db2.gz GRMHQTCVKJBMLI-AEFFLSMTSA-N 2 2 361.490 0.738 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC001128350867 1259195836 /nfs/dbraw/zinc/19/58/36/1259195836.db2.gz KTGDLSNUSYKGGQ-BFYDXBDKSA-N 2 2 363.506 0.816 20 0 FCADLP C[C@@H](O)CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC001128350867 1259195840 /nfs/dbraw/zinc/19/58/40/1259195840.db2.gz KTGDLSNUSYKGGQ-BFYDXBDKSA-N 2 2 363.506 0.816 20 0 FCADLP C[C@@H](O)CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2C1 ZINC001128350867 1259195843 /nfs/dbraw/zinc/19/58/43/1259195843.db2.gz KTGDLSNUSYKGGQ-BFYDXBDKSA-N 2 2 363.506 0.816 20 0 FCADLP C[C@@H](O)CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC001128350867 1259195847 /nfs/dbraw/zinc/19/58/47/1259195847.db2.gz KTGDLSNUSYKGGQ-BFYDXBDKSA-N 2 2 363.506 0.816 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122645 1259320080 /nfs/dbraw/zinc/32/00/80/1259320080.db2.gz QDDDNQVLPFGBHC-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122645 1259320086 /nfs/dbraw/zinc/32/00/86/1259320086.db2.gz QDDDNQVLPFGBHC-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228381 1259348964 /nfs/dbraw/zinc/34/89/64/1259348964.db2.gz PXXLGDBYTWUFDU-BMFZPTHFSA-N 2 2 358.450 0.123 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228381 1259348967 /nfs/dbraw/zinc/34/89/67/1259348967.db2.gz PXXLGDBYTWUFDU-BMFZPTHFSA-N 2 2 358.450 0.123 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212289541 1259455265 /nfs/dbraw/zinc/45/52/65/1259455265.db2.gz KUKHIUDFIKFCHG-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212289541 1259455270 /nfs/dbraw/zinc/45/52/70/1259455270.db2.gz KUKHIUDFIKFCHG-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403832 1259491475 /nfs/dbraw/zinc/49/14/75/1259491475.db2.gz XDQCXCRSHJSGDW-GVDBMIGSSA-N 2 2 368.522 0.591 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403832 1259491478 /nfs/dbraw/zinc/49/14/78/1259491478.db2.gz XDQCXCRSHJSGDW-GVDBMIGSSA-N 2 2 368.522 0.591 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403832 1259491482 /nfs/dbraw/zinc/49/14/82/1259491482.db2.gz XDQCXCRSHJSGDW-GVDBMIGSSA-N 2 2 368.522 0.591 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403832 1259491487 /nfs/dbraw/zinc/49/14/87/1259491487.db2.gz XDQCXCRSHJSGDW-GVDBMIGSSA-N 2 2 368.522 0.591 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001212436772 1259505647 /nfs/dbraw/zinc/50/56/47/1259505647.db2.gz JHLJUXIUCLXHKZ-NUJGCVRESA-N 2 2 364.490 0.992 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001212436772 1259505655 /nfs/dbraw/zinc/50/56/55/1259505655.db2.gz JHLJUXIUCLXHKZ-NUJGCVRESA-N 2 2 364.490 0.992 20 0 FCADLP COC(=O)[C@@H]([NH3+])Cc1ccc(-c2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001235917496 1259586528 /nfs/dbraw/zinc/58/65/28/1259586528.db2.gz JMUUIRIBRXTHFM-KRWDZBQOSA-N 2 2 355.442 0.938 20 0 FCADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)C[NH2+]C3CC[NH2+]CC3)ccc12 ZINC001246514477 1259653868 /nfs/dbraw/zinc/65/38/68/1259653868.db2.gz NGSNCCNTSDLCNG-UHFFFAOYSA-N 2 2 372.425 0.498 20 0 FCADLP O=C1NCC[C@]12C[N@@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631940 1259657935 /nfs/dbraw/zinc/65/79/35/1259657935.db2.gz YBADMZLZZGRRCO-WFXMLNOXSA-N 3 2 354.498 0.761 20 0 FCADLP O=C1NCC[C@]12C[N@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631940 1259657944 /nfs/dbraw/zinc/65/79/44/1259657944.db2.gz YBADMZLZZGRRCO-WFXMLNOXSA-N 3 2 354.498 0.761 20 0 FCADLP Cc1nc(C)n(C[C@@H]2Cn3ccnc3C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707645 1259665798 /nfs/dbraw/zinc/66/57/98/1259665798.db2.gz ZUOGIJFPJFEKRY-IAGOWNOFSA-N 2 2 370.505 0.317 20 0 FCADLP Cc1nc(C)n(C[C@@H]2Cn3ccnc3C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707645 1259665809 /nfs/dbraw/zinc/66/58/09/1259665809.db2.gz ZUOGIJFPJFEKRY-IAGOWNOFSA-N 2 2 370.505 0.317 20 0 FCADLP COC(=O)[C@@H]1C[C@H](n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246732009 1259672587 /nfs/dbraw/zinc/67/25/87/1259672587.db2.gz ZEGBUJGWUHBRIE-OBJOEFQTSA-N 2 2 361.446 0.229 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C[NH2+]1 ZINC001246735534 1259673083 /nfs/dbraw/zinc/67/30/83/1259673083.db2.gz UEKUFBGJSURXFF-MHORFTMASA-N 2 2 360.458 0.260 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C[NH2+]1 ZINC001246735534 1259673094 /nfs/dbraw/zinc/67/30/94/1259673094.db2.gz UEKUFBGJSURXFF-MHORFTMASA-N 2 2 360.458 0.260 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC[NH2+]1 ZINC001246738596 1259674906 /nfs/dbraw/zinc/67/49/06/1259674906.db2.gz QAAGMIBDWOTBFN-HUMVNOLHSA-N 2 2 359.474 0.826 20 0 FCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC[NH2+]1 ZINC001246738596 1259674916 /nfs/dbraw/zinc/67/49/16/1259674916.db2.gz QAAGMIBDWOTBFN-HUMVNOLHSA-N 2 2 359.474 0.826 20 0 FCADLP O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739871 1259675398 /nfs/dbraw/zinc/67/53/98/1259675398.db2.gz UFLPNVJWFDORHI-QHGSJHJHSA-N 2 2 371.485 0.969 20 0 FCADLP O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739871 1259675407 /nfs/dbraw/zinc/67/54/07/1259675407.db2.gz UFLPNVJWFDORHI-QHGSJHJHSA-N 2 2 371.485 0.969 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C[NH2+]1 ZINC001246743291 1259678144 /nfs/dbraw/zinc/67/81/44/1259678144.db2.gz FQVCYAUKHNXBSR-ONIAQPFYSA-N 2 2 363.433 0.867 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C[NH2+]1 ZINC001246743291 1259678149 /nfs/dbraw/zinc/67/81/49/1259678149.db2.gz FQVCYAUKHNXBSR-ONIAQPFYSA-N 2 2 363.433 0.867 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246772735 1259689396 /nfs/dbraw/zinc/68/93/96/1259689396.db2.gz GPZGZVKMKNPIGO-CQSZACIVSA-N 2 2 357.462 0.157 20 0 FCADLP COc1cccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1OC ZINC001247334670 1259701715 /nfs/dbraw/zinc/70/17/15/1259701715.db2.gz UKXFQBYQKCJQDN-LBPRGKRZSA-N 2 2 372.385 0.663 20 0 FCADLP [NH3+]CCN1CCN(Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)CC1 ZINC001248204214 1259710144 /nfs/dbraw/zinc/71/01/44/1259710144.db2.gz ZUACTXWUWZOGHA-UHFFFAOYSA-N 2 2 353.430 0.999 20 0 FCADLP CCOC(=O)C1CCC(O)(C[NH2+]CCC(=O)NCCc2c[nH]c[nH+]2)CC1 ZINC001251073362 1259735702 /nfs/dbraw/zinc/73/57/02/1259735702.db2.gz KKMXSDDPANDZOA-UHFFFAOYSA-N 2 2 366.462 0.533 20 0 FCADLP CCOC(=O)C1CCC(O)(C[NH2+]CCC(=O)NCCc2c[nH+]c[nH]2)CC1 ZINC001251073362 1259735710 /nfs/dbraw/zinc/73/57/10/1259735710.db2.gz KKMXSDDPANDZOA-UHFFFAOYSA-N 2 2 366.462 0.533 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001335604423 1259738718 /nfs/dbraw/zinc/73/87/18/1259738718.db2.gz NUTOERXHBSFVRR-JKSUJKDBSA-N 2 2 352.479 0.261 20 0 FCADLP Cn1cc(C2=NO[C@H](C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cn1 ZINC001335741064 1259817029 /nfs/dbraw/zinc/81/70/29/1259817029.db2.gz FHGMSWXIYJOAHM-SFHVURJKSA-N 2 2 374.489 0.588 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001253055282 1259818452 /nfs/dbraw/zinc/81/84/52/1259818452.db2.gz MJMMNOYADCTPQY-LJQANCHMSA-N 2 2 363.502 0.547 20 0 FCADLP COc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001253962037 1259867545 /nfs/dbraw/zinc/86/75/45/1259867545.db2.gz UZSIJFJUPFUECH-CVEARBPZSA-N 2 2 365.474 0.577 20 0 FCADLP COc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001253962037 1259867555 /nfs/dbraw/zinc/86/75/55/1259867555.db2.gz UZSIJFJUPFUECH-CVEARBPZSA-N 2 2 365.474 0.577 20 0 FCADLP [NH3+]CCOCCOCCOCCn1cc(-c2cccc3[nH+]ccn32)nn1 ZINC001254152447 1259875627 /nfs/dbraw/zinc/87/56/27/1259875627.db2.gz KZRCWQFMXDLWET-UHFFFAOYSA-N 2 2 360.418 0.601 20 0 FCADLP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856194 1259897208 /nfs/dbraw/zinc/89/72/08/1259897208.db2.gz DKDRWEUBMGRWLZ-UYAOXDASSA-N 2 2 364.534 0.631 20 0 FCADLP CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856194 1259897219 /nfs/dbraw/zinc/89/72/19/1259897219.db2.gz DKDRWEUBMGRWLZ-UYAOXDASSA-N 2 2 364.534 0.631 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001335927267 1259906951 /nfs/dbraw/zinc/90/69/51/1259906951.db2.gz JEDGEBMVCGHQFD-UHFFFAOYSA-N 2 2 373.461 0.998 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@H]2CC[N@H+](C)C2)CC3)cn1 ZINC001255434120 1259912717 /nfs/dbraw/zinc/91/27/17/1259912717.db2.gz NKZOVNOJPUPGJN-HNNXBMFYSA-N 2 2 357.462 0.109 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@H]2CC[N@@H+](C)C2)CC3)cn1 ZINC001255434120 1259912722 /nfs/dbraw/zinc/91/27/22/1259912722.db2.gz NKZOVNOJPUPGJN-HNNXBMFYSA-N 2 2 357.462 0.109 20 0 FCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256336136 1259946185 /nfs/dbraw/zinc/94/61/85/1259946185.db2.gz NKOOQCAFPVKVSJ-AWEZNQCLSA-N 2 2 359.430 0.915 20 0 FCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256336136 1259946192 /nfs/dbraw/zinc/94/61/92/1259946192.db2.gz NKOOQCAFPVKVSJ-AWEZNQCLSA-N 2 2 359.430 0.915 20 0 FCADLP COCCOc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC001336054338 1259959061 /nfs/dbraw/zinc/95/90/61/1259959061.db2.gz GFPMZSRMEJRABN-INIZCTEOSA-N 2 2 353.463 0.801 20 0 FCADLP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001257216661 1260003365 /nfs/dbraw/zinc/00/33/65/1260003365.db2.gz NCOHXQVFKMMKFZ-KBAYOESNSA-N 2 2 359.474 0.778 20 0 FCADLP CC(C)[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001257216661 1260003377 /nfs/dbraw/zinc/00/33/77/1260003377.db2.gz NCOHXQVFKMMKFZ-KBAYOESNSA-N 2 2 359.474 0.778 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974512 1260272983 /nfs/dbraw/zinc/27/29/83/1260272983.db2.gz YUUUJLUBYPDQKW-PXNSSMCTSA-N 3 2 373.501 0.965 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337087248 1260305653 /nfs/dbraw/zinc/30/56/53/1260305653.db2.gz QDKPDWULLOZTDS-IAGOWNOFSA-N 2 2 355.442 0.999 20 0 FCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001273193281 1260619999 /nfs/dbraw/zinc/61/99/99/1260619999.db2.gz WEPVDUFTLUSORT-FCEWJHQRSA-N 2 2 359.474 0.674 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211400 1260624612 /nfs/dbraw/zinc/62/46/12/1260624612.db2.gz XPQPACAHKMEEMP-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211400 1260624619 /nfs/dbraw/zinc/62/46/19/1260624619.db2.gz XPQPACAHKMEEMP-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273211400 1260624627 /nfs/dbraw/zinc/62/46/27/1260624627.db2.gz XPQPACAHKMEEMP-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273211400 1260624636 /nfs/dbraw/zinc/62/46/36/1260624636.db2.gz XPQPACAHKMEEMP-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001273254811 1260637469 /nfs/dbraw/zinc/63/74/69/1260637469.db2.gz MEQILOLHAAQCPB-BZSNNMDCSA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001273254811 1260637478 /nfs/dbraw/zinc/63/74/78/1260637478.db2.gz MEQILOLHAAQCPB-BZSNNMDCSA-N 2 2 361.490 0.527 20 0 FCADLP NC(=O)C1CC[NH+](CCC(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001273311214 1260655977 /nfs/dbraw/zinc/65/59/77/1260655977.db2.gz SOTMLTCQPZCBMJ-UHFFFAOYSA-N 2 2 359.474 0.246 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@@H]3CCOC3)C2)N1 ZINC001278464488 1260694473 /nfs/dbraw/zinc/69/44/73/1260694473.db2.gz UAELIDYQYMAKAK-PKOBYXMFSA-N 2 2 361.490 0.576 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@@H]3CCOC3)C2)N1 ZINC001278464488 1260694474 /nfs/dbraw/zinc/69/44/74/1260694474.db2.gz UAELIDYQYMAKAK-PKOBYXMFSA-N 2 2 361.490 0.576 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001279571922 1260895525 /nfs/dbraw/zinc/89/55/25/1260895525.db2.gz CXDWPSMMAHSRIS-SFHVURJKSA-N 2 2 363.462 0.572 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001279571922 1260895532 /nfs/dbraw/zinc/89/55/32/1260895532.db2.gz CXDWPSMMAHSRIS-SFHVURJKSA-N 2 2 363.462 0.572 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001279571922 1260895536 /nfs/dbraw/zinc/89/55/36/1260895536.db2.gz CXDWPSMMAHSRIS-SFHVURJKSA-N 2 2 363.462 0.572 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001279571922 1260895542 /nfs/dbraw/zinc/89/55/42/1260895542.db2.gz CXDWPSMMAHSRIS-SFHVURJKSA-N 2 2 363.462 0.572 20 0 FCADLP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)[nH]n1 ZINC001279670476 1260911730 /nfs/dbraw/zinc/91/17/30/1260911730.db2.gz UHHDELWOPGMWFB-ZIAGYGMSSA-N 2 2 361.446 0.229 20 0 FCADLP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)[nH]n1 ZINC001279670476 1260911732 /nfs/dbraw/zinc/91/17/32/1260911732.db2.gz UHHDELWOPGMWFB-ZIAGYGMSSA-N 2 2 361.446 0.229 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1 ZINC001280219375 1261037760 /nfs/dbraw/zinc/03/77/60/1261037760.db2.gz QNRQHUBIFBZYFZ-GOSISDBHSA-N 2 2 363.462 0.441 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1 ZINC001280219375 1261037766 /nfs/dbraw/zinc/03/77/66/1261037766.db2.gz QNRQHUBIFBZYFZ-GOSISDBHSA-N 2 2 363.462 0.441 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC2(CN(Cc3c[nH+]cn3C)C2)O1 ZINC001280290786 1261049204 /nfs/dbraw/zinc/04/92/04/1261049204.db2.gz FDRXEZOUMAXRAO-QGZVFWFLSA-N 2 2 363.506 0.954 20 0 FCADLP Cc1nc[nH]c1C[NH+]1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280341399 1261057905 /nfs/dbraw/zinc/05/79/05/1261057905.db2.gz MGSDVBMUDGVBNO-OAHLLOKOSA-N 2 2 357.462 0.937 20 0 FCADLP CS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC001473995989 1261504386 /nfs/dbraw/zinc/50/43/86/1261504386.db2.gz NCZZUEJOAXHZBR-QGZVFWFLSA-N 2 2 367.515 0.586 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCc3cccnc3)CC2)CC1 ZINC001345526216 1261729273 /nfs/dbraw/zinc/72/92/73/1261729273.db2.gz BBMTWDGTLSYMSF-UHFFFAOYSA-N 2 2 373.501 0.415 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284534825 1261763076 /nfs/dbraw/zinc/76/30/76/1261763076.db2.gz CFLLVWMUQJTRPG-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284534825 1261763083 /nfs/dbraw/zinc/76/30/83/1261763083.db2.gz CFLLVWMUQJTRPG-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001285697866 1261868010 /nfs/dbraw/zinc/86/80/10/1261868010.db2.gz WXDLARFWVWCFTD-BZUAXINKSA-N 2 2 361.490 0.876 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001289836041 1262354956 /nfs/dbraw/zinc/35/49/56/1262354956.db2.gz PGJWXBFRECYOSW-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001289836041 1262354961 /nfs/dbraw/zinc/35/49/61/1262354961.db2.gz PGJWXBFRECYOSW-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)NCc3c[nH+]c4n3CCCC4)C2)nn1 ZINC001580349002 1278147800 /nfs/dbraw/zinc/14/78/00/1278147800.db2.gz FJCBZSZSXIPHTG-AWEZNQCLSA-N 2 2 358.450 0.816 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001580353945 1278155033 /nfs/dbraw/zinc/15/50/33/1278155033.db2.gz CUDSEIWFRIKFMU-CHWSQXEVSA-N 2 2 367.417 0.347 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C1CC[NH+](C)CC1 ZINC001296379656 1262808759 /nfs/dbraw/zinc/80/87/59/1262808759.db2.gz GZCOPMDBAUYXMC-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580375392 1278187482 /nfs/dbraw/zinc/18/74/82/1278187482.db2.gz XUSLWUWILQBVBH-ZLDLUXBVSA-N 2 2 356.434 0.439 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580375392 1278187492 /nfs/dbraw/zinc/18/74/92/1278187492.db2.gz XUSLWUWILQBVBH-ZLDLUXBVSA-N 2 2 356.434 0.439 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580375391 1278188091 /nfs/dbraw/zinc/18/80/91/1278188091.db2.gz XUSLWUWILQBVBH-OSAQELSMSA-N 2 2 356.434 0.439 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580375391 1278188097 /nfs/dbraw/zinc/18/80/97/1278188097.db2.gz XUSLWUWILQBVBH-OSAQELSMSA-N 2 2 356.434 0.439 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316644145 1263391496 /nfs/dbraw/zinc/39/14/96/1263391496.db2.gz KEXFEURDPLQMFS-HYVNUMGLSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316644145 1263391510 /nfs/dbraw/zinc/39/15/10/1263391510.db2.gz KEXFEURDPLQMFS-HYVNUMGLSA-N 2 2 358.486 0.786 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001319032211 1263642618 /nfs/dbraw/zinc/64/26/18/1263642618.db2.gz XHWKIXRTNVBICH-GVDBMIGSSA-N 2 2 364.490 0.749 20 0 FCADLP C[C@@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001319886448 1263739692 /nfs/dbraw/zinc/73/96/92/1263739692.db2.gz VFBQIRZGYFSZCF-NUEKZKHPSA-N 2 2 361.490 0.958 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001319886448 1263739705 /nfs/dbraw/zinc/73/97/05/1263739705.db2.gz VFBQIRZGYFSZCF-NUEKZKHPSA-N 2 2 361.490 0.958 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC001321343604 1263939112 /nfs/dbraw/zinc/93/91/12/1263939112.db2.gz FRXLMMQSNPHYNQ-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001499195374 1264011805 /nfs/dbraw/zinc/01/18/05/1264011805.db2.gz BPSCDASCOMNNOL-MRXNPFEDSA-N 2 2 366.510 0.330 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001321632934 1264017399 /nfs/dbraw/zinc/01/73/99/1264017399.db2.gz UNNAAQUGWVCGJV-OAHLLOKOSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001321676244 1264030790 /nfs/dbraw/zinc/03/07/90/1264030790.db2.gz UYRXTXUOJBIYHZ-GVDBMIGSSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001321676244 1264030791 /nfs/dbraw/zinc/03/07/91/1264030791.db2.gz UYRXTXUOJBIYHZ-GVDBMIGSSA-N 2 2 373.501 0.944 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001321856034 1264081796 /nfs/dbraw/zinc/08/17/96/1264081796.db2.gz JLNDWOHJJWFGGB-HUUCEWRRSA-N 2 2 363.462 0.005 20 0 FCADLP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942171 1264105793 /nfs/dbraw/zinc/10/57/93/1264105793.db2.gz SXMCBYIAXVNEHL-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942171 1264105800 /nfs/dbraw/zinc/10/58/00/1264105800.db2.gz SXMCBYIAXVNEHL-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)n2)CC1 ZINC001322238745 1264170988 /nfs/dbraw/zinc/17/09/88/1264170988.db2.gz NFOWNSZNPKMLSA-UHFFFAOYSA-N 2 2 359.434 0.491 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC001322574757 1264221914 /nfs/dbraw/zinc/22/19/14/1264221914.db2.gz MXNADTZTGTXZRL-GJZGRUSLSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001506210023 1264302982 /nfs/dbraw/zinc/30/29/82/1264302982.db2.gz FFSZYUGJLSWOGC-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001506210023 1264302994 /nfs/dbraw/zinc/30/29/94/1264302994.db2.gz FFSZYUGJLSWOGC-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](C2CC2)N(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001510379594 1264496751 /nfs/dbraw/zinc/49/67/51/1264496751.db2.gz KARKSXVJQNQLAS-KBRIMQKVSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](C2CC2)N(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001510379594 1264496756 /nfs/dbraw/zinc/49/67/56/1264496756.db2.gz KARKSXVJQNQLAS-KBRIMQKVSA-N 2 2 361.490 0.656 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCn4c[nH+]cc4C3)n2)CC1 ZINC001324182760 1264592106 /nfs/dbraw/zinc/59/21/06/1264592106.db2.gz RKULKKXJPLFAGY-UHFFFAOYSA-N 2 2 357.418 0.327 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(OCCO)CC3)CC2)CC1 ZINC001324467028 1264651946 /nfs/dbraw/zinc/65/19/46/1264651946.db2.gz MHHPZGHXIHQBBM-UHFFFAOYSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001326702697 1265154284 /nfs/dbraw/zinc/15/42/84/1265154284.db2.gz RPSZNMAXFXOGKV-JZXOWHBKSA-N 2 2 362.518 0.824 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001326702697 1265154286 /nfs/dbraw/zinc/15/42/86/1265154286.db2.gz RPSZNMAXFXOGKV-JZXOWHBKSA-N 2 2 362.518 0.824 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001514058853 1265320118 /nfs/dbraw/zinc/32/01/18/1265320118.db2.gz PILUHSOQGLTQEJ-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575028 1266636173 /nfs/dbraw/zinc/63/61/73/1266636173.db2.gz RBDDXEWBODYEDN-BZUAXINKSA-N 2 2 350.463 0.597 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575028 1266636177 /nfs/dbraw/zinc/63/61/77/1266636177.db2.gz RBDDXEWBODYEDN-BZUAXINKSA-N 2 2 350.463 0.597 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H]1C[NH+](C)CCN1C ZINC001528130319 1266948836 /nfs/dbraw/zinc/94/88/36/1266948836.db2.gz KCFJMTDXHSABLE-SJORKVTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H]1C[NH+](C)CCN1C ZINC001528130319 1266948842 /nfs/dbraw/zinc/94/88/42/1266948842.db2.gz KCFJMTDXHSABLE-SJORKVTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001528130319 1266948846 /nfs/dbraw/zinc/94/88/46/1266948846.db2.gz KCFJMTDXHSABLE-SJORKVTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001528130319 1266948849 /nfs/dbraw/zinc/94/88/49/1266948849.db2.gz KCFJMTDXHSABLE-SJORKVTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001528130319 1266948852 /nfs/dbraw/zinc/94/88/52/1266948852.db2.gz KCFJMTDXHSABLE-SJORKVTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001528130319 1266948859 /nfs/dbraw/zinc/94/88/59/1266948859.db2.gz KCFJMTDXHSABLE-SJORKVTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401694 1266967551 /nfs/dbraw/zinc/96/75/51/1266967551.db2.gz SYZJNKLJQGRROE-NVXWUHKLSA-N 2 2 357.462 0.034 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401694 1266967553 /nfs/dbraw/zinc/96/75/53/1266967553.db2.gz SYZJNKLJQGRROE-NVXWUHKLSA-N 2 2 357.462 0.034 20 0 FCADLP C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC001528433202 1266969937 /nfs/dbraw/zinc/96/99/37/1266969937.db2.gz FHXOKDCAKPGHRH-KRWDZBQOSA-N 2 2 368.570 0.338 20 0 FCADLP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001531434718 1267135022 /nfs/dbraw/zinc/13/50/22/1267135022.db2.gz HMIOCNPALPQHMH-RBSFLKMASA-N 2 2 361.490 0.876 20 0 FCADLP c1cc(N2CC[NH2+]CC2)oc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001334753456 1267161908 /nfs/dbraw/zinc/16/19/08/1267161908.db2.gz DDIMOTWMCPJAAS-UHFFFAOYSA-N 3 2 371.489 0.764 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC001548940160 1267773965 /nfs/dbraw/zinc/77/39/65/1267773965.db2.gz RRPIBQDKANVVEB-JJRVBVJISA-N 2 2 368.478 0.726 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC001548940160 1267773971 /nfs/dbraw/zinc/77/39/71/1267773971.db2.gz RRPIBQDKANVVEB-JJRVBVJISA-N 2 2 368.478 0.726 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152269 1267830987 /nfs/dbraw/zinc/83/09/87/1267830987.db2.gz BPQWQVZDCLIOPT-CVGURMSBSA-N 2 2 360.462 0.522 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152269 1267830989 /nfs/dbraw/zinc/83/09/89/1267830989.db2.gz BPQWQVZDCLIOPT-CVGURMSBSA-N 2 2 360.462 0.522 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001549156599 1267836104 /nfs/dbraw/zinc/83/61/04/1267836104.db2.gz SBDCOFAYQRENNQ-BSXFFOKHSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001549156599 1267836118 /nfs/dbraw/zinc/83/61/18/1267836118.db2.gz SBDCOFAYQRENNQ-BSXFFOKHSA-N 2 2 374.489 0.866 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549158217 1267839408 /nfs/dbraw/zinc/83/94/08/1267839408.db2.gz GYPICVRHXMRPKJ-KEYYUXOJSA-N 2 2 362.478 0.913 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[NH+]1CCCCC1 ZINC001549158636 1267839640 /nfs/dbraw/zinc/83/96/40/1267839640.db2.gz OLWZAKBBNFMEKN-KEYYUXOJSA-N 2 2 362.478 0.913 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549163025 1267843402 /nfs/dbraw/zinc/84/34/02/1267843402.db2.gz SRDNFGUGBQYNEN-GRDNDAEWSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001549176487 1267853894 /nfs/dbraw/zinc/85/38/94/1267853894.db2.gz IRHJXJSEGPBAGL-UFGOTCBOSA-N 2 2 356.377 0.036 20 0 FCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC001549239489 1267872980 /nfs/dbraw/zinc/87/29/80/1267872980.db2.gz VTOKENPDFYDYLQ-QAPCUYQASA-N 2 2 374.489 0.818 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001338356600 1267918994 /nfs/dbraw/zinc/91/89/94/1267918994.db2.gz VBFMJWVQKNNBIW-CVEARBPZSA-N 2 2 361.490 0.850 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549493002 1267925849 /nfs/dbraw/zinc/92/58/49/1267925849.db2.gz MWMCFEBIYRQVIC-ZWKOTPCHSA-N 2 2 364.534 0.774 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549490728 1267925908 /nfs/dbraw/zinc/92/59/08/1267925908.db2.gz HBAKLUUGIQWNHR-ZACQAIPSSA-N 2 2 351.491 0.714 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)CN1CC[NH+]1CCOCC1 ZINC001338489498 1267958219 /nfs/dbraw/zinc/95/82/19/1267958219.db2.gz UCMBDFINTANLTM-OALUTQOASA-N 2 2 361.486 0.503 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H](N3CC[NH+](C)CC3)C1)n2C ZINC001550002279 1268042693 /nfs/dbraw/zinc/04/26/93/1268042693.db2.gz SEBMYGKQYZMKIA-AWEZNQCLSA-N 2 2 371.489 0.496 20 0 FCADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)CC1 ZINC001550005051 1268045823 /nfs/dbraw/zinc/04/58/23/1268045823.db2.gz RILDLUUTCKDQPO-QYZOEREBSA-N 2 2 364.534 0.582 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCOC[C@@H]([NH3+])C3)C2)c1 ZINC001550283202 1268104602 /nfs/dbraw/zinc/10/46/02/1268104602.db2.gz OAKAJAGTCAIMDP-ZWKOTPCHSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCOC[C@@H]([NH3+])C3)C2)c1 ZINC001550283202 1268104604 /nfs/dbraw/zinc/10/46/04/1268104604.db2.gz OAKAJAGTCAIMDP-ZWKOTPCHSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001550543888 1268130306 /nfs/dbraw/zinc/13/03/06/1268130306.db2.gz ZQMMQDWMKLBDFC-JKSUJKDBSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001550543888 1268130310 /nfs/dbraw/zinc/13/03/10/1268130310.db2.gz ZQMMQDWMKLBDFC-JKSUJKDBSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550543888 1268130313 /nfs/dbraw/zinc/13/03/13/1268130313.db2.gz ZQMMQDWMKLBDFC-JKSUJKDBSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC001550543888 1268130316 /nfs/dbraw/zinc/13/03/16/1268130316.db2.gz ZQMMQDWMKLBDFC-JKSUJKDBSA-N 2 2 354.520 0.928 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576793 1268275756 /nfs/dbraw/zinc/27/57/56/1268275756.db2.gz RAUNJMAHTKFGQG-NRGCRIOASA-N 2 2 357.502 0.982 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576793 1268275762 /nfs/dbraw/zinc/27/57/62/1268275762.db2.gz RAUNJMAHTKFGQG-NRGCRIOASA-N 2 2 357.502 0.982 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585172 1268278503 /nfs/dbraw/zinc/27/85/03/1268278503.db2.gz ZQIYSFYAZJCPDO-YDHLFZDLSA-N 2 2 373.448 0.177 20 0 FCADLP Cn1nccc1[C@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001551587568 1268279933 /nfs/dbraw/zinc/27/99/33/1268279933.db2.gz PMCIXXHGMVUXIO-CJNGLKHVSA-N 2 2 350.467 0.220 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001552078267 1268362187 /nfs/dbraw/zinc/36/21/87/1268362187.db2.gz UYCJAXOUPBOXLK-YVSFHVDLSA-N 2 2 352.479 0.306 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001552078267 1268362198 /nfs/dbraw/zinc/36/21/98/1268362198.db2.gz UYCJAXOUPBOXLK-YVSFHVDLSA-N 2 2 352.479 0.306 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001552078265 1268362446 /nfs/dbraw/zinc/36/24/46/1268362446.db2.gz UYCJAXOUPBOXLK-TWMKSMIVSA-N 2 2 352.479 0.306 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001552078265 1268362459 /nfs/dbraw/zinc/36/24/59/1268362459.db2.gz UYCJAXOUPBOXLK-TWMKSMIVSA-N 2 2 352.479 0.306 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cnn1C ZINC001552088715 1268367127 /nfs/dbraw/zinc/36/71/27/1268367127.db2.gz GXVHIVSMUABNLP-XIRDDKMYSA-N 2 2 354.458 0.822 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nn1 ZINC001552166925 1268398625 /nfs/dbraw/zinc/39/86/25/1268398625.db2.gz DVOIZKZKLUDWDQ-BBRMVZONSA-N 2 2 359.434 0.109 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nn1 ZINC001552166925 1268398636 /nfs/dbraw/zinc/39/86/36/1268398636.db2.gz DVOIZKZKLUDWDQ-BBRMVZONSA-N 2 2 359.434 0.109 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC001552167114 1268398896 /nfs/dbraw/zinc/39/88/96/1268398896.db2.gz MRUKMLAKAHJGEM-GZBFAFLISA-N 2 2 359.434 0.109 20 0 FCADLP CC(C)C[NH+]1CCN(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CC1 ZINC001339989706 1268398997 /nfs/dbraw/zinc/39/89/97/1268398997.db2.gz FSGNBHQHWLVOIJ-UHFFFAOYSA-N 2 2 350.511 0.797 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC001340118192 1268441469 /nfs/dbraw/zinc/44/14/69/1268441469.db2.gz GNJCNPLXQWDHBI-MAUKXSAKSA-N 2 2 361.490 0.776 20 0 FCADLP Cc1c(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437419 1268463692 /nfs/dbraw/zinc/46/36/92/1268463692.db2.gz XMORCWMNKHXQMS-INIZCTEOSA-N 2 2 372.477 0.203 20 0 FCADLP Cc1c(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552437419 1268463697 /nfs/dbraw/zinc/46/36/97/1268463697.db2.gz XMORCWMNKHXQMS-INIZCTEOSA-N 2 2 372.477 0.203 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1n1ccnn1 ZINC001552601362 1268485363 /nfs/dbraw/zinc/48/53/63/1268485363.db2.gz ZAKNHPRIBKGWPA-LSDHHAIUSA-N 2 2 358.450 0.508 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@H]1n1ccnn1 ZINC001552607811 1268490991 /nfs/dbraw/zinc/49/09/91/1268490991.db2.gz CLIOEOHAIOWFHK-LSDHHAIUSA-N 2 2 358.450 0.508 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723220 1268535980 /nfs/dbraw/zinc/53/59/80/1268535980.db2.gz VZPGXHUZXAPZIU-AEFFLSMTSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723220 1268535984 /nfs/dbraw/zinc/53/59/84/1268535984.db2.gz VZPGXHUZXAPZIU-AEFFLSMTSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001552723220 1268535991 /nfs/dbraw/zinc/53/59/91/1268535991.db2.gz VZPGXHUZXAPZIU-AEFFLSMTSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001552723220 1268535993 /nfs/dbraw/zinc/53/59/93/1268535993.db2.gz VZPGXHUZXAPZIU-AEFFLSMTSA-N 2 2 369.469 0.903 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@@]3(O)CCC[NH2+]C3)c2)CC1 ZINC001340399529 1268535948 /nfs/dbraw/zinc/53/59/48/1268535948.db2.gz LROHEQOPRWXLEN-FQEVSTJZSA-N 2 2 374.485 0.794 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552838400 1268557117 /nfs/dbraw/zinc/55/71/17/1268557117.db2.gz MCJBLENUJDUALN-YUMQZZPRSA-N 2 2 350.320 0.477 20 0 FCADLP O=C(CCNC(=O)[C@]12CCC[C@@H]1[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC001552832294 1268557308 /nfs/dbraw/zinc/55/73/08/1268557308.db2.gz BSABYHLHEACPQR-JXFKEZNVSA-N 2 2 371.485 0.769 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552838704 1268557354 /nfs/dbraw/zinc/55/73/54/1268557354.db2.gz QAUYKSBILFJEPW-RKDXNWHRSA-N 2 2 364.347 0.725 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001553105644 1268590759 /nfs/dbraw/zinc/59/07/59/1268590759.db2.gz PMLDZRHTEGVAIV-BZSNNMDCSA-N 2 2 351.491 0.953 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553114171 1268592069 /nfs/dbraw/zinc/59/20/69/1268592069.db2.gz LKVSUEKHDJMEKA-ZJPYXAASSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553114171 1268592072 /nfs/dbraw/zinc/59/20/72/1268592072.db2.gz LKVSUEKHDJMEKA-ZJPYXAASSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553125711 1268593607 /nfs/dbraw/zinc/59/36/07/1268593607.db2.gz XHGLPQOIVFMUCB-XDNAFOTISA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553125711 1268593613 /nfs/dbraw/zinc/59/36/13/1268593613.db2.gz XHGLPQOIVFMUCB-XDNAFOTISA-N 2 2 351.491 0.809 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001553166183 1268602532 /nfs/dbraw/zinc/60/25/32/1268602532.db2.gz MJZTVWFRRJMVJN-IAGOWNOFSA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001553166183 1268602538 /nfs/dbraw/zinc/60/25/38/1268602538.db2.gz MJZTVWFRRJMVJN-IAGOWNOFSA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001553166183 1268602546 /nfs/dbraw/zinc/60/25/46/1268602546.db2.gz MJZTVWFRRJMVJN-IAGOWNOFSA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001553166183 1268602553 /nfs/dbraw/zinc/60/25/53/1268602553.db2.gz MJZTVWFRRJMVJN-IAGOWNOFSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)n1 ZINC001553171636 1268603940 /nfs/dbraw/zinc/60/39/40/1268603940.db2.gz JZZATFWYFIAINV-ARFHVFGLSA-N 2 2 358.446 0.707 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)n1 ZINC001553171636 1268603947 /nfs/dbraw/zinc/60/39/47/1268603947.db2.gz JZZATFWYFIAINV-ARFHVFGLSA-N 2 2 358.446 0.707 20 0 FCADLP C[C@@H](CNC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[NH+]1CCOCC1 ZINC001553425999 1268648996 /nfs/dbraw/zinc/64/89/96/1268648996.db2.gz HMMLZXYNWCRUTQ-YJBOKZPZSA-N 2 2 354.495 0.494 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553453799 1268652870 /nfs/dbraw/zinc/65/28/70/1268652870.db2.gz ZRIJHRZJDMYCAH-CABCVRRESA-N 2 2 372.535 0.136 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC001340803325 1268665088 /nfs/dbraw/zinc/66/50/88/1268665088.db2.gz YHNNNEPTFJBMLA-CABCVRRESA-N 2 2 365.478 0.028 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C2)nn1 ZINC001553865880 1268730498 /nfs/dbraw/zinc/73/04/98/1268730498.db2.gz PJLOWVKBQRYJKS-QGZVFWFLSA-N 2 2 365.441 0.998 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nn1 ZINC001554035584 1268745136 /nfs/dbraw/zinc/74/51/36/1268745136.db2.gz HZBYRIZWQBJXOJ-MLGOLLRUSA-N 2 2 355.402 0.803 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccccc2-n2cc[nH+]c2)nn1 ZINC001554035703 1268745497 /nfs/dbraw/zinc/74/54/97/1268745497.db2.gz JYEWIUIYDAUQAU-CXAGYDPISA-N 2 2 367.413 0.804 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nn1 ZINC001554035583 1268745653 /nfs/dbraw/zinc/74/56/53/1268745653.db2.gz HZBYRIZWQBJXOJ-LRDDRELGSA-N 2 2 355.402 0.803 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001555582332 1268788887 /nfs/dbraw/zinc/78/88/87/1268788887.db2.gz UGAVGCKFYWWAMR-JKSUJKDBSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001555582332 1268788894 /nfs/dbraw/zinc/78/88/94/1268788894.db2.gz UGAVGCKFYWWAMR-JKSUJKDBSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001555582332 1268788903 /nfs/dbraw/zinc/78/89/03/1268788903.db2.gz UGAVGCKFYWWAMR-JKSUJKDBSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001555582332 1268788910 /nfs/dbraw/zinc/78/89/10/1268788910.db2.gz UGAVGCKFYWWAMR-JKSUJKDBSA-N 2 2 366.510 0.464 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001341144184 1268805191 /nfs/dbraw/zinc/80/51/91/1268805191.db2.gz GZBHIHXTUMOKQJ-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC001341628057 1269118226 /nfs/dbraw/zinc/11/82/26/1269118226.db2.gz VZZWLALWJCHIMN-QGZVFWFLSA-N 2 2 372.473 0.280 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC001341642730 1269126961 /nfs/dbraw/zinc/12/69/61/1269126961.db2.gz JONAKKWNSXKALD-UHFFFAOYSA-N 2 2 351.414 0.784 20 0 FCADLP [NH3+]CCc1ccc(C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC001341765941 1269193733 /nfs/dbraw/zinc/19/37/33/1269193733.db2.gz LCUXYQSKZYQFTH-UHFFFAOYSA-N 2 2 354.458 0.902 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2C)CC1 ZINC001341797521 1269213007 /nfs/dbraw/zinc/21/30/07/1269213007.db2.gz PAYJLEGYRCPJPY-MRXNPFEDSA-N 2 2 366.510 0.755 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2C)CC1 ZINC001341797521 1269213010 /nfs/dbraw/zinc/21/30/10/1269213010.db2.gz PAYJLEGYRCPJPY-MRXNPFEDSA-N 2 2 366.510 0.755 20 0 FCADLP [NH3+][C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[C@@H]1C(F)(F)F ZINC001342480227 1269486954 /nfs/dbraw/zinc/48/69/54/1269486954.db2.gz DOOKVUYPGZYOOS-RFGFWPKPSA-N 2 2 365.396 0.604 20 0 FCADLP CC(C)n1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001568580721 1269742004 /nfs/dbraw/zinc/74/20/04/1269742004.db2.gz ZCPLAUZHYLTVEX-BZUAXINKSA-N 2 2 360.462 0.568 20 0 FCADLP Cc1nc([C@@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001570413887 1269880722 /nfs/dbraw/zinc/88/07/22/1269880722.db2.gz IFPVRULRJQLOJB-UMVBOHGHSA-N 2 2 365.478 0.722 20 0 FCADLP Cc1nc([C@@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001570413887 1269880734 /nfs/dbraw/zinc/88/07/34/1269880734.db2.gz IFPVRULRJQLOJB-UMVBOHGHSA-N 2 2 365.478 0.722 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001572962523 1270417389 /nfs/dbraw/zinc/41/73/89/1270417389.db2.gz SAZWFKRBYMDBPW-CPUCHLNUSA-N 2 2 365.478 0.271 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001573057748 1270577727 /nfs/dbraw/zinc/57/77/27/1270577727.db2.gz UUNCFPLADVWQOD-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001573057748 1270577733 /nfs/dbraw/zinc/57/77/33/1270577733.db2.gz UUNCFPLADVWQOD-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574252359 1271121665 /nfs/dbraw/zinc/12/16/65/1271121665.db2.gz UQGLLKINVDBANB-UHFFFAOYSA-N 2 2 357.462 0.850 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574252359 1271121671 /nfs/dbraw/zinc/12/16/71/1271121671.db2.gz UQGLLKINVDBANB-UHFFFAOYSA-N 2 2 357.462 0.850 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574264966 1271141612 /nfs/dbraw/zinc/14/16/12/1271141612.db2.gz UBABNIRKBFLAJU-VIKVFOODSA-N 2 2 356.434 0.153 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574264966 1271141615 /nfs/dbraw/zinc/14/16/15/1271141615.db2.gz UBABNIRKBFLAJU-VIKVFOODSA-N 2 2 356.434 0.153 20 0 FCADLP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574541998 1271322978 /nfs/dbraw/zinc/32/29/78/1271322978.db2.gz CYOGDXKFRHBBKE-QWHCGFSZSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574612263 1271419226 /nfs/dbraw/zinc/41/92/26/1271419226.db2.gz FTEGOZIVVUJHPD-LBPRGKRZSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574612588 1271419780 /nfs/dbraw/zinc/41/97/80/1271419780.db2.gz IHFGZBMQGVYAAY-LBPRGKRZSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574781977 1271516357 /nfs/dbraw/zinc/51/63/57/1271516357.db2.gz RALULAZXHFBEFM-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574781977 1271516360 /nfs/dbraw/zinc/51/63/60/1271516360.db2.gz RALULAZXHFBEFM-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574805536 1271546397 /nfs/dbraw/zinc/54/63/97/1271546397.db2.gz TYRMRVKHODHQCP-LBPRGKRZSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875053 1271627116 /nfs/dbraw/zinc/62/71/16/1271627116.db2.gz VKUOCTUXECGLGA-DOMZBBRYSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875053 1271627123 /nfs/dbraw/zinc/62/71/23/1271627123.db2.gz VKUOCTUXECGLGA-DOMZBBRYSA-N 2 2 358.450 0.332 20 0 FCADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001575160742 1271757241 /nfs/dbraw/zinc/75/72/41/1271757241.db2.gz PMZVHCGBFBLXQD-DZGCQCFKSA-N 2 2 352.479 0.796 20 0 FCADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+][C@]1(CO)CCC[NH2+]C1)O2 ZINC001575173095 1271763862 /nfs/dbraw/zinc/76/38/62/1271763862.db2.gz TZOSBLJFMQPJRA-RHSMWYFYSA-N 2 2 355.479 0.859 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001575214756 1271794278 /nfs/dbraw/zinc/79/42/78/1271794278.db2.gz FTIRXWUXRMNRAA-KGLIPLIRSA-N 2 2 358.458 0.792 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001575214757 1271794753 /nfs/dbraw/zinc/79/47/53/1271794753.db2.gz FTIRXWUXRMNRAA-UONOGXRCSA-N 2 2 358.458 0.792 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575293510 1271880063 /nfs/dbraw/zinc/88/00/63/1271880063.db2.gz JVNLZTIXHYSWAT-ZDUSSCGKSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575390714 1272036788 /nfs/dbraw/zinc/03/67/88/1272036788.db2.gz CMEWWRPBVYISIH-VXGBXAGGSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575389367 1272037055 /nfs/dbraw/zinc/03/70/55/1272037055.db2.gz USSHWGBGRVVLAX-NWDGAFQWSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575401472 1272051730 /nfs/dbraw/zinc/05/17/30/1272051730.db2.gz QMSSJJXCDWBSPZ-QWHCGFSZSA-N 2 2 368.445 0.826 20 0 FCADLP C[C@H](C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]Cc1c[nH]nn1 ZINC001575509467 1272174005 /nfs/dbraw/zinc/17/40/05/1272174005.db2.gz IGPDMJKCLRHHTD-KGLIPLIRSA-N 2 2 352.483 0.536 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]Cc2cnn[nH]2)CCCC1 ZINC001575567177 1272203716 /nfs/dbraw/zinc/20/37/16/1272203716.db2.gz RXHZXLBJHACDNZ-AWEZNQCLSA-N 2 2 350.467 0.292 20 0 FCADLP C[C@](C[NH2+]CCc1cn[nH]n1)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001575611042 1272233842 /nfs/dbraw/zinc/23/38/42/1272233842.db2.gz HQRKYEWTEBOWLX-LJQANCHMSA-N 2 2 371.489 0.997 20 0 FCADLP C[C@@H]([NH2+]CCc1cn[nH]n1)[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001575685266 1272297271 /nfs/dbraw/zinc/29/72/71/1272297271.db2.gz DBXBJMBIKCVMIF-OLZOCXBDSA-N 2 2 361.450 0.728 20 0 FCADLP C[C@@H]([NH2+]CCc1c[nH]nn1)[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001575685266 1272297278 /nfs/dbraw/zinc/29/72/78/1272297278.db2.gz DBXBJMBIKCVMIF-OLZOCXBDSA-N 2 2 361.450 0.728 20 0 FCADLP CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001575726981 1272388026 /nfs/dbraw/zinc/38/80/26/1272388026.db2.gz MVBBTQGVGDEQOF-AWEZNQCLSA-N 2 2 367.417 0.489 20 0 FCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)CC[N@@H+]1C ZINC001575843606 1272517996 /nfs/dbraw/zinc/51/79/96/1272517996.db2.gz YTHPZXUUCZSOJE-KDOFPFPSSA-N 2 2 355.479 0.485 20 0 FCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)CC[N@H+]1C ZINC001575843606 1272518002 /nfs/dbraw/zinc/51/80/02/1272518002.db2.gz YTHPZXUUCZSOJE-KDOFPFPSSA-N 2 2 355.479 0.485 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575994586 1272664800 /nfs/dbraw/zinc/66/48/00/1272664800.db2.gz YHLKDXPOHDNCPJ-KBPBESRZSA-N 2 2 370.461 0.831 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021008 1272722769 /nfs/dbraw/zinc/72/27/69/1272722769.db2.gz HVYVBHQWCJFMLZ-WBMJQRKESA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001576044280 1272767480 /nfs/dbraw/zinc/76/74/80/1272767480.db2.gz HEDGOYQNCKTISS-CHWSQXEVSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC001576163760 1272971276 /nfs/dbraw/zinc/97/12/76/1272971276.db2.gz BSZNTVJVFCVVSY-YOEHRIQHSA-N 2 2 350.463 0.541 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576269928 1273065848 /nfs/dbraw/zinc/06/58/48/1273065848.db2.gz AVJRMJKHXHEOFZ-JSGCOSHPSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576270513 1273067950 /nfs/dbraw/zinc/06/79/50/1273067950.db2.gz JVOLBZSUXZJERQ-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576271579 1273071120 /nfs/dbraw/zinc/07/11/20/1273071120.db2.gz SJJCEWLEQOZCPE-DGCLKSJQSA-N 2 2 372.458 0.761 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499412 1273361082 /nfs/dbraw/zinc/36/10/82/1273361082.db2.gz KCZFQKZXUCRESU-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499412 1273361089 /nfs/dbraw/zinc/36/10/89/1273361089.db2.gz KCZFQKZXUCRESU-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001576512060 1273386765 /nfs/dbraw/zinc/38/67/65/1273386765.db2.gz JYTVVGNNELRKSB-SFDCQRBFSA-N 2 2 356.434 0.153 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCOCC2)C1 ZINC001576748220 1273619497 /nfs/dbraw/zinc/61/94/97/1273619497.db2.gz VGTYTVFBTKKFPU-ZBFHGGJFSA-N 2 2 364.494 0.680 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCOCC2)C1 ZINC001576748220 1273619503 /nfs/dbraw/zinc/61/95/03/1273619503.db2.gz VGTYTVFBTKKFPU-ZBFHGGJFSA-N 2 2 364.494 0.680 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001580721975 1278800505 /nfs/dbraw/zinc/80/05/05/1278800505.db2.gz SOSFXDHWDONILX-CQSZACIVSA-N 2 2 354.414 0.244 20 0 FCADLP C[C@@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC001576806562 1273715817 /nfs/dbraw/zinc/71/58/17/1273715817.db2.gz ICNMQKDAPLBUEI-OAHLLOKOSA-N 2 2 353.488 0.808 20 0 FCADLP C[C@@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC001576806562 1273715821 /nfs/dbraw/zinc/71/58/21/1273715821.db2.gz ICNMQKDAPLBUEI-OAHLLOKOSA-N 2 2 353.488 0.808 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)[C@H](C)CO1 ZINC001576808185 1273720621 /nfs/dbraw/zinc/72/06/21/1273720621.db2.gz ZYEADQLSERCDEX-ZIAGYGMSSA-N 2 2 358.483 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)[C@H](C)CO1 ZINC001576808185 1273720626 /nfs/dbraw/zinc/72/06/26/1273720626.db2.gz ZYEADQLSERCDEX-ZIAGYGMSSA-N 2 2 358.483 0.408 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576835309 1273764194 /nfs/dbraw/zinc/76/41/94/1273764194.db2.gz LIKTVBCILJSZIU-ZDUSSCGKSA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576836040 1273769295 /nfs/dbraw/zinc/76/92/95/1273769295.db2.gz VWHGWARLHJZPMR-AWEZNQCLSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC001576837847 1273773587 /nfs/dbraw/zinc/77/35/87/1273773587.db2.gz MJMZVOBAWXFLCR-BZUAXINKSA-N 2 2 364.494 0.301 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902221 1273905285 /nfs/dbraw/zinc/90/52/85/1273905285.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902221 1273905296 /nfs/dbraw/zinc/90/52/96/1273905296.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCc1c[nH]nn1 ZINC001576902221 1273905302 /nfs/dbraw/zinc/90/53/02/1273905302.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CCc1c[nH]nn1 ZINC001576902221 1273905309 /nfs/dbraw/zinc/90/53/09/1273905309.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902221 1273905317 /nfs/dbraw/zinc/90/53/17/1273905317.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902221 1273905324 /nfs/dbraw/zinc/90/53/24/1273905324.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCc1cn[nH]n1 ZINC001576902221 1273905332 /nfs/dbraw/zinc/90/53/32/1273905332.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CCc1cn[nH]n1 ZINC001576902221 1273905344 /nfs/dbraw/zinc/90/53/44/1273905344.db2.gz CUDYLFRXECOSGV-MOPGFXCFSA-N 2 2 368.485 0.985 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563265 1274515569 /nfs/dbraw/zinc/51/55/69/1274515569.db2.gz NRNQKIKSLXPBCE-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563265 1274515573 /nfs/dbraw/zinc/51/55/73/1274515573.db2.gz NRNQKIKSLXPBCE-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563265 1274515580 /nfs/dbraw/zinc/51/55/80/1274515580.db2.gz NRNQKIKSLXPBCE-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563265 1274515583 /nfs/dbraw/zinc/51/55/83/1274515583.db2.gz NRNQKIKSLXPBCE-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577571760 1274535593 /nfs/dbraw/zinc/53/55/93/1274535593.db2.gz JPWHTQVJSSLPNS-VZEFYGNVSA-N 2 2 355.446 0.161 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577571760 1274535599 /nfs/dbraw/zinc/53/55/99/1274535599.db2.gz JPWHTQVJSSLPNS-VZEFYGNVSA-N 2 2 355.446 0.161 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577571760 1274535608 /nfs/dbraw/zinc/53/56/08/1274535608.db2.gz JPWHTQVJSSLPNS-VZEFYGNVSA-N 2 2 355.446 0.161 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577571760 1274535617 /nfs/dbraw/zinc/53/56/17/1274535617.db2.gz JPWHTQVJSSLPNS-VZEFYGNVSA-N 2 2 355.446 0.161 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001577767203 1274851221 /nfs/dbraw/zinc/85/12/21/1274851221.db2.gz HTHIPJUNHRTHSS-QFBILLFUSA-N 3 2 352.523 0.901 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001577767203 1274851233 /nfs/dbraw/zinc/85/12/33/1274851233.db2.gz HTHIPJUNHRTHSS-QFBILLFUSA-N 3 2 352.523 0.901 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577899293 1275110005 /nfs/dbraw/zinc/11/00/05/1275110005.db2.gz XLNONJQRNALNGI-XPKDYRNWSA-N 2 2 370.461 0.829 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001578042326 1275327739 /nfs/dbraw/zinc/32/77/39/1275327739.db2.gz NHEBRUZQJBSNCZ-ZDUSSCGKSA-N 2 2 352.402 0.637 20 0 FCADLP CCc1nnc(N2CCO[C@@H](C[NH3+])C2)n1CCc1cn2ccccc2[nH+]1 ZINC001578326681 1275672408 /nfs/dbraw/zinc/67/24/08/1275672408.db2.gz NCKZLOZCMAIGOK-HNNXBMFYSA-N 2 2 355.446 0.895 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578533399 1275963120 /nfs/dbraw/zinc/96/31/20/1275963120.db2.gz ZUKUFBXPNYKRBO-KGLIPLIRSA-N 2 2 355.483 0.589 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578533399 1275963124 /nfs/dbraw/zinc/96/31/24/1275963124.db2.gz ZUKUFBXPNYKRBO-KGLIPLIRSA-N 2 2 355.483 0.589 20 0 FCADLP C[NH2+][C@@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578577626 1276009898 /nfs/dbraw/zinc/00/98/98/1276009898.db2.gz YDTMMTYXYNRDNM-HNNXBMFYSA-N 2 2 359.478 0.716 20 0 FCADLP C[NH2+]CCn1c(C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001578721831 1276195015 /nfs/dbraw/zinc/19/50/15/1276195015.db2.gz UKBJVCXUFZIIRB-QGZVFWFLSA-N 2 2 365.526 0.037 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798373 1276288179 /nfs/dbraw/zinc/28/81/79/1276288179.db2.gz YLZZOYSLWMRUHL-HOCLYGCPSA-N 2 2 359.426 0.602 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798373 1276288186 /nfs/dbraw/zinc/28/81/86/1276288186.db2.gz YLZZOYSLWMRUHL-HOCLYGCPSA-N 2 2 359.426 0.602 20 0 FCADLP C[NH+](C)C1(C(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578966063 1276509728 /nfs/dbraw/zinc/50/97/28/1276509728.db2.gz DGPIOFUNBFXAMI-ZDUSSCGKSA-N 2 2 370.461 0.689 20 0 FCADLP C[NH+](C)CC1(C(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001578971496 1276516603 /nfs/dbraw/zinc/51/66/03/1276516603.db2.gz HLBLWPHTNNOUKF-UHFFFAOYSA-N 2 2 355.446 0.509 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001579007136 1276576574 /nfs/dbraw/zinc/57/65/74/1276576574.db2.gz OVQSGCWMWYVMDU-AWEZNQCLSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001579007136 1276576579 /nfs/dbraw/zinc/57/65/79/1276576579.db2.gz OVQSGCWMWYVMDU-AWEZNQCLSA-N 2 2 370.461 0.783 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])CC(F)(F)F)CC1 ZINC001579016335 1276592092 /nfs/dbraw/zinc/59/20/92/1276592092.db2.gz RNXSPQPAABKIML-CHWSQXEVSA-N 2 2 354.417 0.425 20 0 FCADLP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579019259 1276597048 /nfs/dbraw/zinc/59/70/48/1276597048.db2.gz WOZZESQKZVWHBV-HNNXBMFYSA-N 2 2 372.477 0.674 20 0 FCADLP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579019259 1276597055 /nfs/dbraw/zinc/59/70/55/1276597055.db2.gz WOZZESQKZVWHBV-HNNXBMFYSA-N 2 2 372.477 0.674 20 0 FCADLP CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579076740 1276693879 /nfs/dbraw/zinc/69/38/79/1276693879.db2.gz VOESIHVGIWHYDL-CYBMUJFWSA-N 2 2 367.417 0.586 20 0 FCADLP CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579076741 1276695702 /nfs/dbraw/zinc/69/57/02/1276695702.db2.gz VOESIHVGIWHYDL-ZDUSSCGKSA-N 2 2 367.417 0.586 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[NH+]1CCCC1 ZINC001579098704 1276750663 /nfs/dbraw/zinc/75/06/63/1276750663.db2.gz PFNGTPFODFQDLB-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[NH+]1CCCC1 ZINC001579098704 1276750672 /nfs/dbraw/zinc/75/06/72/1276750672.db2.gz PFNGTPFODFQDLB-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001579101686 1276757514 /nfs/dbraw/zinc/75/75/14/1276757514.db2.gz KKGGUGPSBQKXIQ-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001579101686 1276757518 /nfs/dbraw/zinc/75/75/18/1276757518.db2.gz KKGGUGPSBQKXIQ-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579101686 1276757522 /nfs/dbraw/zinc/75/75/22/1276757522.db2.gz KKGGUGPSBQKXIQ-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579101686 1276757527 /nfs/dbraw/zinc/75/75/27/1276757527.db2.gz KKGGUGPSBQKXIQ-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[NH+]1C ZINC001579102926 1276759023 /nfs/dbraw/zinc/75/90/23/1276759023.db2.gz SLIWUNGVMOFKDR-DOTOQJQBSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[NH+]1C ZINC001579102926 1276759030 /nfs/dbraw/zinc/75/90/30/1276759030.db2.gz SLIWUNGVMOFKDR-DOTOQJQBSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579102926 1276759037 /nfs/dbraw/zinc/75/90/37/1276759037.db2.gz SLIWUNGVMOFKDR-DOTOQJQBSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579102926 1276759043 /nfs/dbraw/zinc/75/90/43/1276759043.db2.gz SLIWUNGVMOFKDR-DOTOQJQBSA-N 2 2 369.473 0.994 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579133567 1276831884 /nfs/dbraw/zinc/83/18/84/1276831884.db2.gz YVEDFFBWMDGVMD-ZDUSSCGKSA-N 2 2 363.491 0.913 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579133567 1276831900 /nfs/dbraw/zinc/83/19/00/1276831900.db2.gz YVEDFFBWMDGVMD-ZDUSSCGKSA-N 2 2 363.491 0.913 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579133567 1276831918 /nfs/dbraw/zinc/83/19/18/1276831918.db2.gz YVEDFFBWMDGVMD-ZDUSSCGKSA-N 2 2 363.491 0.913 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579133567 1276831932 /nfs/dbraw/zinc/83/19/32/1276831932.db2.gz YVEDFFBWMDGVMD-ZDUSSCGKSA-N 2 2 363.491 0.913 20 0 FCADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579256528 1277052945 /nfs/dbraw/zinc/05/29/45/1277052945.db2.gz ZNWKKQHHIXZPAM-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579256528 1277052947 /nfs/dbraw/zinc/05/29/47/1277052947.db2.gz ZNWKKQHHIXZPAM-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579281328 1277097920 /nfs/dbraw/zinc/09/79/20/1277097920.db2.gz AEGNJKQIMQQQEL-CQSZACIVSA-N 2 2 370.461 0.785 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350416 1277205749 /nfs/dbraw/zinc/20/57/49/1277205749.db2.gz DPEJZYCNGHFJPB-CVEARBPZSA-N 2 2 370.461 0.427 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350416 1277205757 /nfs/dbraw/zinc/20/57/57/1277205757.db2.gz DPEJZYCNGHFJPB-CVEARBPZSA-N 2 2 370.461 0.427 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579353461 1277211459 /nfs/dbraw/zinc/21/14/59/1277211459.db2.gz MSAWBGPOOIPZFO-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579353461 1277211460 /nfs/dbraw/zinc/21/14/60/1277211460.db2.gz MSAWBGPOOIPZFO-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356207 1277219945 /nfs/dbraw/zinc/21/99/45/1277219945.db2.gz IZXRWKKBAJPZIA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356207 1277219950 /nfs/dbraw/zinc/21/99/50/1277219950.db2.gz IZXRWKKBAJPZIA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356207 1277219955 /nfs/dbraw/zinc/21/99/55/1277219955.db2.gz IZXRWKKBAJPZIA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356207 1277219962 /nfs/dbraw/zinc/21/99/62/1277219962.db2.gz IZXRWKKBAJPZIA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579357620 1277225609 /nfs/dbraw/zinc/22/56/09/1277225609.db2.gz ZSCGBERUKKJTQS-VBNZEHGJSA-N 2 2 368.445 0.393 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579357620 1277225614 /nfs/dbraw/zinc/22/56/14/1277225614.db2.gz ZSCGBERUKKJTQS-VBNZEHGJSA-N 2 2 368.445 0.393 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358568 1277226986 /nfs/dbraw/zinc/22/69/86/1277226986.db2.gz GHVJUZUZAALKQS-CJNGLKHVSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358568 1277226988 /nfs/dbraw/zinc/22/69/88/1277226988.db2.gz GHVJUZUZAALKQS-CJNGLKHVSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359201 1277231650 /nfs/dbraw/zinc/23/16/50/1277231650.db2.gz QALYAJDAIYBHNR-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359201 1277231651 /nfs/dbraw/zinc/23/16/51/1277231651.db2.gz QALYAJDAIYBHNR-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366036 1277246054 /nfs/dbraw/zinc/24/60/54/1277246054.db2.gz NCZNWQJZDWALLJ-SWLSCSKDSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366036 1277246057 /nfs/dbraw/zinc/24/60/57/1277246057.db2.gz NCZNWQJZDWALLJ-SWLSCSKDSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368817 1277250538 /nfs/dbraw/zinc/25/05/38/1277250538.db2.gz LCBNCKQIJWIHAE-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368817 1277250539 /nfs/dbraw/zinc/25/05/39/1277250539.db2.gz LCBNCKQIJWIHAE-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369215 1277251663 /nfs/dbraw/zinc/25/16/63/1277251663.db2.gz VKTKVOHJWBNAGK-TYNCELHUSA-N 2 2 356.434 0.227 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369215 1277251664 /nfs/dbraw/zinc/25/16/64/1277251664.db2.gz VKTKVOHJWBNAGK-TYNCELHUSA-N 2 2 356.434 0.227 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369216 1277251852 /nfs/dbraw/zinc/25/18/52/1277251852.db2.gz VKTKVOHJWBNAGK-ZOWXZIJZSA-N 2 2 356.434 0.227 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369216 1277251853 /nfs/dbraw/zinc/25/18/53/1277251853.db2.gz VKTKVOHJWBNAGK-ZOWXZIJZSA-N 2 2 356.434 0.227 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579369962 1277253581 /nfs/dbraw/zinc/25/35/81/1277253581.db2.gz DPRFECISCPZQKP-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579369962 1277253582 /nfs/dbraw/zinc/25/35/82/1277253582.db2.gz DPRFECISCPZQKP-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579369962 1277253583 /nfs/dbraw/zinc/25/35/83/1277253583.db2.gz DPRFECISCPZQKP-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579369962 1277253584 /nfs/dbraw/zinc/25/35/84/1277253584.db2.gz DPRFECISCPZQKP-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372063 1277253611 /nfs/dbraw/zinc/25/36/11/1277253611.db2.gz ZHKYEWIKMIDRHC-CJNGLKHVSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372063 1277253612 /nfs/dbraw/zinc/25/36/12/1277253612.db2.gz ZHKYEWIKMIDRHC-CJNGLKHVSA-N 2 2 370.461 0.689 20 0 FCADLP CC[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713765890 1287296246 /nfs/dbraw/zinc/29/62/46/1287296246.db2.gz FUNRQCJVQJEBCX-BZUAXINKSA-N 2 2 361.490 0.958 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713765890 1287296247 /nfs/dbraw/zinc/29/62/47/1287296247.db2.gz FUNRQCJVQJEBCX-BZUAXINKSA-N 2 2 361.490 0.958 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]CCN(C(=O)OC(C)(C)C)CC1 ZINC001579827088 1277925894 /nfs/dbraw/zinc/92/58/94/1277925894.db2.gz ZHWGCAXPCLAVOP-UHFFFAOYSA-N 2 2 351.451 0.860 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001580274334 1278068447 /nfs/dbraw/zinc/06/84/47/1278068447.db2.gz QKORFHATUBSYIY-NSHDSACASA-N 2 2 358.381 0.497 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1[nH+]ccn1C ZINC001580276905 1278072835 /nfs/dbraw/zinc/07/28/35/1278072835.db2.gz GCGLISSTZZOWRP-NSHDSACASA-N 2 2 374.474 0.889 20 0 FCADLP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580977623 1279178249 /nfs/dbraw/zinc/17/82/49/1279178249.db2.gz MCJXGLCMECLKCM-VIKVFOODSA-N 2 2 365.401 0.018 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580987792 1279185260 /nfs/dbraw/zinc/18/52/60/1279185260.db2.gz DTBXROOJLWBBJO-OLZOCXBDSA-N 2 2 369.433 0.502 20 0 FCADLP Cc1cc(NC2(CNC(=O)Cn3cc[nH+]c3)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581000427 1279216141 /nfs/dbraw/zinc/21/61/41/1279216141.db2.gz YVNTZILYEQNYIO-UHFFFAOYSA-N 2 2 367.417 0.340 20 0 FCADLP Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002688 1279219116 /nfs/dbraw/zinc/21/91/16/1279219116.db2.gz VFHCOYJQCZFNTF-YPMHNXCESA-N 2 2 367.417 0.359 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581039092 1279276630 /nfs/dbraw/zinc/27/66/30/1279276630.db2.gz JCWRRXLAFIVDIU-JOCQHMNTSA-N 2 2 367.417 0.256 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001581201122 1279499820 /nfs/dbraw/zinc/49/98/20/1279499820.db2.gz PFZPKKMJQXFWEE-KLHDSHLOSA-N 2 2 361.490 0.829 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001581201122 1279499821 /nfs/dbraw/zinc/49/98/21/1279499821.db2.gz PFZPKKMJQXFWEE-KLHDSHLOSA-N 2 2 361.490 0.829 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001603318383 1287353095 /nfs/dbraw/zinc/35/30/95/1287353095.db2.gz JFCWGKJPPSAQTP-OCCSQVGLSA-N 2 2 358.450 0.685 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001603318383 1287353097 /nfs/dbraw/zinc/35/30/97/1287353097.db2.gz JFCWGKJPPSAQTP-OCCSQVGLSA-N 2 2 358.450 0.685 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)c[nH+]1 ZINC001581305278 1279633780 /nfs/dbraw/zinc/63/37/80/1279633780.db2.gz VWSXPNJYGGRCCE-NSHDSACASA-N 2 2 369.433 0.540 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001581337731 1279714621 /nfs/dbraw/zinc/71/46/21/1279714621.db2.gz HEPSKXXEHZYHPB-UHFFFAOYSA-N 2 2 366.429 0.716 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581338481 1279718650 /nfs/dbraw/zinc/71/86/50/1279718650.db2.gz MAZJTLFBYZPIQW-OAHLLOKOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581338481 1279718658 /nfs/dbraw/zinc/71/86/58/1279718658.db2.gz MAZJTLFBYZPIQW-OAHLLOKOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581339022 1279720039 /nfs/dbraw/zinc/72/00/39/1279720039.db2.gz ZODDHPCVHBAKEH-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581339022 1279720050 /nfs/dbraw/zinc/72/00/50/1279720050.db2.gz ZODDHPCVHBAKEH-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581339003 1279720479 /nfs/dbraw/zinc/72/04/79/1279720479.db2.gz YXTKJDMMLFSDJD-JOCQHMNTSA-N 2 2 367.417 0.195 20 0 FCADLP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001603457266 1287377097 /nfs/dbraw/zinc/37/70/97/1287377097.db2.gz HWQJIMWOXMRTTE-CHWSQXEVSA-N 2 2 369.433 0.666 20 0 FCADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603458604 1287378629 /nfs/dbraw/zinc/37/86/29/1287378629.db2.gz PGUCSLIFLBTDPW-NEPJUHHUSA-N 2 2 369.433 0.355 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581567744 1280152228 /nfs/dbraw/zinc/15/22/28/1280152228.db2.gz YDMVORVGPROHOL-UHFFFAOYSA-N 2 2 369.433 0.799 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581814618 1280558726 /nfs/dbraw/zinc/55/87/26/1280558726.db2.gz VIRIAWJDBVZFRQ-OAHLLOKOSA-N 2 2 366.429 0.533 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582089007 1281041895 /nfs/dbraw/zinc/04/18/95/1281041895.db2.gz QYZZKWZDFWGLEC-GFCCVEGCSA-N 2 2 353.390 0.243 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582089186 1281044778 /nfs/dbraw/zinc/04/47/78/1281044778.db2.gz XNVBIGOAOZEGPV-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582090017 1281045321 /nfs/dbraw/zinc/04/53/21/1281045321.db2.gz KEMLDLNMFFXPRK-JOCQHMNTSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582089879 1281045757 /nfs/dbraw/zinc/04/57/57/1281045757.db2.gz CHWMXASFBHGELD-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582089879 1281045760 /nfs/dbraw/zinc/04/57/60/1281045760.db2.gz CHWMXASFBHGELD-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(C[NH+]1CCCC1)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001582097856 1281052855 /nfs/dbraw/zinc/05/28/55/1281052855.db2.gz QEMNOQFQGNAFJN-UHFFFAOYSA-N 2 2 370.461 0.620 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582100250 1281057150 /nfs/dbraw/zinc/05/71/50/1281057150.db2.gz BTLTXVOCMWXTAV-UHFFFAOYSA-N 2 2 361.475 0.572 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582169206 1281135746 /nfs/dbraw/zinc/13/57/46/1281135746.db2.gz IMYLVYYAYIVOEX-MRXNPFEDSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582184029 1281163429 /nfs/dbraw/zinc/16/34/29/1281163429.db2.gz VHKUEWBVOBBIGC-XYPYZODXSA-N 2 2 372.458 0.878 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582195037 1281174889 /nfs/dbraw/zinc/17/48/89/1281174889.db2.gz HOJOLYJXSUWCFF-HNNXBMFYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582195166 1281175875 /nfs/dbraw/zinc/17/58/75/1281175875.db2.gz NNBHTKLIUNYKPF-AWEZNQCLSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582196167 1281176512 /nfs/dbraw/zinc/17/65/12/1281176512.db2.gz FRKYWJVMPHTIMV-INIZCTEOSA-N 2 2 366.429 0.748 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC001603944539 1287541508 /nfs/dbraw/zinc/54/15/08/1287541508.db2.gz LALNASKZEJOGLC-LBPRGKRZSA-N 2 2 354.422 0.143 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCc1c[nH+]cn1C ZINC001603944539 1287541510 /nfs/dbraw/zinc/54/15/10/1287541510.db2.gz LALNASKZEJOGLC-LBPRGKRZSA-N 2 2 354.422 0.143 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810914 1282034650 /nfs/dbraw/zinc/03/46/50/1282034650.db2.gz WCXCGNZEWRYXDN-IRXDYDNUSA-N 2 2 358.446 0.431 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810914 1282034651 /nfs/dbraw/zinc/03/46/51/1282034651.db2.gz WCXCGNZEWRYXDN-IRXDYDNUSA-N 2 2 358.446 0.431 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001587110602 1282329585 /nfs/dbraw/zinc/32/95/85/1282329585.db2.gz RLPWVJIDCOQVDS-UHFFFAOYSA-N 2 2 372.429 0.914 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001589934067 1283137890 /nfs/dbraw/zinc/13/78/90/1283137890.db2.gz MJBOMULRBXVXQL-LBPRGKRZSA-N 2 2 358.450 0.650 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590172956 1283271759 /nfs/dbraw/zinc/27/17/59/1283271759.db2.gz AFUDPIUMFKILRB-LRDDRELGSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590199355 1283313109 /nfs/dbraw/zinc/31/31/09/1283313109.db2.gz QRRRKBBJIOGZLV-CHWSQXEVSA-N 2 2 367.417 0.632 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001682310642 1283562964 /nfs/dbraw/zinc/56/29/64/1283562964.db2.gz MVMHAIISVKBEBY-DOTOQJQBSA-N 2 2 370.457 0.997 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)n2)CC1 ZINC001591002590 1284061296 /nfs/dbraw/zinc/06/12/96/1284061296.db2.gz YOXBFOQHMZJXRE-UHFFFAOYSA-N 2 2 358.450 0.294 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCc2ccc[nH+]c2N)c1 ZINC001683896661 1284124986 /nfs/dbraw/zinc/12/49/86/1284124986.db2.gz ADILBZVLJUUCOZ-UHFFFAOYSA-N 2 2 370.457 0.955 20 0 FCADLP CN(CCCNC(=O)CCn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591073205 1284137607 /nfs/dbraw/zinc/13/76/07/1284137607.db2.gz XBSJARSCZMKKDD-UHFFFAOYSA-N 2 2 355.406 0.491 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCc1[nH+]ccn1C ZINC001591103078 1284173503 /nfs/dbraw/zinc/17/35/03/1284173503.db2.gz JLBXSDQKRSOGSB-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCOCc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001591116185 1284192055 /nfs/dbraw/zinc/19/20/55/1284192055.db2.gz OPHLKKJEERCMGI-KRWDZBQOSA-N 2 2 360.462 0.770 20 0 FCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCOCc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001591116185 1284192057 /nfs/dbraw/zinc/19/20/57/1284192057.db2.gz OPHLKKJEERCMGI-KRWDZBQOSA-N 2 2 360.462 0.770 20 0 FCADLP C[NH+](CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC001591116185 1284192061 /nfs/dbraw/zinc/19/20/61/1284192061.db2.gz OPHLKKJEERCMGI-KRWDZBQOSA-N 2 2 360.462 0.770 20 0 FCADLP C[NH+](CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC001591116185 1284192065 /nfs/dbraw/zinc/19/20/65/1284192065.db2.gz OPHLKKJEERCMGI-KRWDZBQOSA-N 2 2 360.462 0.770 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183359 1284287884 /nfs/dbraw/zinc/28/78/84/1284287884.db2.gz DNFHPOPZNUXZTC-IUODEOHRSA-N 2 2 369.429 0.430 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183359 1284287889 /nfs/dbraw/zinc/28/78/89/1284287889.db2.gz DNFHPOPZNUXZTC-IUODEOHRSA-N 2 2 369.429 0.430 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001591189907 1284306805 /nfs/dbraw/zinc/30/68/05/1284306805.db2.gz YDOUTPGAYNKHPM-UHFFFAOYSA-N 2 2 370.461 0.642 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001591193185 1284311573 /nfs/dbraw/zinc/31/15/73/1284311573.db2.gz UPEYFKYNRJETPM-UHFFFAOYSA-N 2 2 365.401 0.661 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591421142 1284570900 /nfs/dbraw/zinc/57/09/00/1284570900.db2.gz RIJPBBLZYOWLQS-SFHVURJKSA-N 2 2 374.489 0.985 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591421142 1284570906 /nfs/dbraw/zinc/57/09/06/1284570906.db2.gz RIJPBBLZYOWLQS-SFHVURJKSA-N 2 2 374.489 0.985 20 0 FCADLP COc1c[nH+]ccc1N1CCN(c2ccc(-c3nn[nH]n3)c(N)[nH+]2)CC1 ZINC001591658946 1284787931 /nfs/dbraw/zinc/78/79/31/1284787931.db2.gz KPXHQPUEBAPGJH-UHFFFAOYSA-N 2 2 353.390 0.574 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001592589783 1285518242 /nfs/dbraw/zinc/51/82/42/1285518242.db2.gz PSIOODNLUSFVNH-UHFFFAOYSA-N 2 2 358.381 0.188 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592590453 1285522973 /nfs/dbraw/zinc/52/29/73/1285522973.db2.gz GXVHOIIAZSWABI-IHWYPQMZSA-N 2 2 367.417 0.134 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001592742034 1285660682 /nfs/dbraw/zinc/66/06/82/1285660682.db2.gz BDKPUXDESSLBJA-FVRSWCFKSA-N 2 2 358.446 0.810 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001592742034 1285660690 /nfs/dbraw/zinc/66/06/90/1285660690.db2.gz BDKPUXDESSLBJA-FVRSWCFKSA-N 2 2 358.446 0.810 20 0 FCADLP CN(C)CC[NH+]1CCC(C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001609268488 1289032514 /nfs/dbraw/zinc/03/25/14/1289032514.db2.gz NMJFMSYZWYQHNK-UHFFFAOYSA-N 2 2 350.496 0.686 20 0 FCADLP C[NH+](C)CCN1CCC(C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001609268488 1289032521 /nfs/dbraw/zinc/03/25/21/1289032521.db2.gz NMJFMSYZWYQHNK-UHFFFAOYSA-N 2 2 350.496 0.686 20 0 FCADLP CN(C(=O)c1cnccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001609283617 1289047757 /nfs/dbraw/zinc/04/77/57/1289047757.db2.gz HMVUCOGBSXPDQT-CQSZACIVSA-N 2 2 370.461 0.502 20 0 FCADLP CN(C(=O)c1cnccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001609283617 1289047760 /nfs/dbraw/zinc/04/77/60/1289047760.db2.gz HMVUCOGBSXPDQT-CQSZACIVSA-N 2 2 370.461 0.502 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593400582 1286122091 /nfs/dbraw/zinc/12/20/91/1286122091.db2.gz RKJTYEUEWSFPEO-INIZCTEOSA-N 2 2 355.446 0.305 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593400582 1286122093 /nfs/dbraw/zinc/12/20/93/1286122093.db2.gz RKJTYEUEWSFPEO-INIZCTEOSA-N 2 2 355.446 0.305 20 0 FCADLP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593504228 1286182957 /nfs/dbraw/zinc/18/29/57/1286182957.db2.gz ILOXVWLHCHWDPF-IAGOWNOFSA-N 2 2 358.446 0.743 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507275 1286186844 /nfs/dbraw/zinc/18/68/44/1286186844.db2.gz ZHXBGYTWCWXWRE-DJIMGWMZSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507275 1286186851 /nfs/dbraw/zinc/18/68/51/1286186851.db2.gz ZHXBGYTWCWXWRE-DJIMGWMZSA-N 2 2 358.446 0.823 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001704283516 1286214683 /nfs/dbraw/zinc/21/46/83/1286214683.db2.gz CVXGGABFPYCBHN-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001704283516 1286214692 /nfs/dbraw/zinc/21/46/92/1286214692.db2.gz CVXGGABFPYCBHN-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC001600755372 1286539412 /nfs/dbraw/zinc/53/94/12/1286539412.db2.gz QREXPRQMBZLGMI-RHSMWYFYSA-N 2 2 360.462 0.856 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC001600755372 1286539415 /nfs/dbraw/zinc/53/94/15/1286539415.db2.gz QREXPRQMBZLGMI-RHSMWYFYSA-N 2 2 360.462 0.856 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860358 1287800791 /nfs/dbraw/zinc/80/07/91/1287800791.db2.gz HTBVVXPEGGSHJR-WFASDCNBSA-N 2 2 356.434 0.393 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860358 1287800793 /nfs/dbraw/zinc/80/07/93/1287800793.db2.gz HTBVVXPEGGSHJR-WFASDCNBSA-N 2 2 356.434 0.393 20 0 FCADLP Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC001605893459 1288101224 /nfs/dbraw/zinc/10/12/24/1288101224.db2.gz CJEWFCVEJYERRH-QWHCGFSZSA-N 2 2 351.414 0.979 20 0 FCADLP Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC001605893459 1288101228 /nfs/dbraw/zinc/10/12/28/1288101228.db2.gz CJEWFCVEJYERRH-QWHCGFSZSA-N 2 2 351.414 0.979 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720978730 1288279450 /nfs/dbraw/zinc/27/94/50/1288279450.db2.gz BOEJFBLPJFYWAF-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720978730 1288279455 /nfs/dbraw/zinc/27/94/55/1288279455.db2.gz BOEJFBLPJFYWAF-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721105136 1288292853 /nfs/dbraw/zinc/29/28/53/1288292853.db2.gz UKRKJKLVLKBLKU-HUUCEWRRSA-N 2 2 359.474 0.727 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606620881 1288413612 /nfs/dbraw/zinc/41/36/12/1288413612.db2.gz SHKOBYITTYISEG-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP CN(C)c1ccccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732656779 1288591313 /nfs/dbraw/zinc/59/13/13/1288591313.db2.gz GBIDBQJUPDDBED-GVDBMIGSSA-N 2 2 371.485 0.857 20 0 FCADLP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001609506067 1289187678 /nfs/dbraw/zinc/18/76/78/1289187678.db2.gz PPFMICDUPYYMQC-MRXNPFEDSA-N 2 2 370.461 0.431 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C[NH2+]CCCO ZINC001692031493 1289372766 /nfs/dbraw/zinc/37/27/66/1289372766.db2.gz FROIIYFRJLQLFX-HZPDHXFCSA-N 2 2 352.479 0.762 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)[C@@H]1C ZINC001692232323 1289433594 /nfs/dbraw/zinc/43/35/94/1289433594.db2.gz AQMNXXVNROGJCK-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1C ZINC001692232323 1289433598 /nfs/dbraw/zinc/43/35/98/1289433598.db2.gz AQMNXXVNROGJCK-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP COCCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)n1 ZINC001692281021 1289441321 /nfs/dbraw/zinc/44/13/21/1289441321.db2.gz OKICQXZAXAKOPE-CABCVRRESA-N 2 2 365.478 0.491 20 0 FCADLP COCCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)n1 ZINC001692281021 1289441322 /nfs/dbraw/zinc/44/13/22/1289441322.db2.gz OKICQXZAXAKOPE-CABCVRRESA-N 2 2 365.478 0.491 20 0 FCADLP C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001692703707 1289462864 /nfs/dbraw/zinc/46/28/64/1289462864.db2.gz RCDVVJYLDJUKFQ-OAHLLOKOSA-N 2 2 361.494 0.992 20 0 FCADLP C[C@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1)C(N)=O ZINC001698716380 1289533779 /nfs/dbraw/zinc/53/37/79/1289533779.db2.gz MJNWXRFVQQZALJ-APHBMKBZSA-N 2 2 355.442 0.803 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001698765179 1289534732 /nfs/dbraw/zinc/53/47/32/1289534732.db2.gz ZXJHBQXLHUTOQV-DAXOMENPSA-N 2 2 359.478 0.774 20 0 FCADLP O=C(NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699653501 1289560623 /nfs/dbraw/zinc/56/06/23/1289560623.db2.gz JXYQLOUGJIVKLV-JHJVBQTASA-N 2 2 352.460 0.186 20 0 FCADLP O=C(NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699653501 1289560628 /nfs/dbraw/zinc/56/06/28/1289560628.db2.gz JXYQLOUGJIVKLV-JHJVBQTASA-N 2 2 352.460 0.186 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001611359916 1289644200 /nfs/dbraw/zinc/64/42/00/1289644200.db2.gz GGTWVSRNUXDVNS-UHFFFAOYSA-N 2 2 365.459 0.739 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001739725611 1290396775 /nfs/dbraw/zinc/39/67/75/1290396775.db2.gz WFERHRCUCCTSNO-NVXWUHKLSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001752745719 1290614699 /nfs/dbraw/zinc/61/46/99/1290614699.db2.gz LKVCZAHBMTUYRU-OJXPSDODSA-N 2 2 357.882 0.856 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)cc1=O ZINC001754445718 1290628857 /nfs/dbraw/zinc/62/88/57/1290628857.db2.gz WZECPPYLJYWEFW-OAGGEKHMSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)cc1=O ZINC001754445718 1290628866 /nfs/dbraw/zinc/62/88/66/1290628866.db2.gz WZECPPYLJYWEFW-OAGGEKHMSA-N 2 2 355.442 0.897 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)CCn4cc[nH+]c4)[C@@H]3C2)CC[N@@H+]1C ZINC001756214775 1290651172 /nfs/dbraw/zinc/65/11/72/1290651172.db2.gz JLCRJZNFIQIOGY-HHARLNAUSA-N 2 2 359.474 0.434 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)CCn4cc[nH+]c4)[C@@H]3C2)CC[N@H+]1C ZINC001756214775 1290651182 /nfs/dbraw/zinc/65/11/82/1290651182.db2.gz JLCRJZNFIQIOGY-HHARLNAUSA-N 2 2 359.474 0.434 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001758269509 1290831656 /nfs/dbraw/zinc/83/16/56/1290831656.db2.gz CGWSTQLFHLVOQQ-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CNC(=O)NC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001654733028 1291432317 /nfs/dbraw/zinc/43/23/17/1291432317.db2.gz IVYXQWRBWPKHOD-UHFFFAOYSA-N 2 2 374.489 0.514 20 0 FCADLP CC[N@@H+](Cc1cn(CC(N)=O)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001658445824 1291624385 /nfs/dbraw/zinc/62/43/85/1291624385.db2.gz YHIPSHXINUFWSE-UHFFFAOYSA-N 2 2 357.462 0.897 20 0 FCADLP CC[N@H+](Cc1cn(CC(N)=O)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001658445824 1291624389 /nfs/dbraw/zinc/62/43/89/1291624389.db2.gz YHIPSHXINUFWSE-UHFFFAOYSA-N 2 2 357.462 0.897 20 0 FCADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)s1 ZINC001667894559 1291948916 /nfs/dbraw/zinc/94/89/16/1291948916.db2.gz UCZCKCUYLOPUOR-BFHYXJOUSA-N 2 2 363.487 0.864 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001688667792 1294517507 /nfs/dbraw/zinc/51/75/07/1294517507.db2.gz LBMZVHZYCQZFSR-HZPDHXFCSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001688667792 1294517518 /nfs/dbraw/zinc/51/75/18/1294517518.db2.gz LBMZVHZYCQZFSR-HZPDHXFCSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001689092856 1294611336 /nfs/dbraw/zinc/61/13/36/1294611336.db2.gz GEWQYQIISRXOJK-PMPSAXMXSA-N 2 2 361.490 0.750 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1nccnc1C ZINC001689188767 1294654659 /nfs/dbraw/zinc/65/46/59/1294654659.db2.gz ASYIXUBMPJWMPP-FUHWJXTLSA-N 2 2 361.490 0.976 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1nccnc1C ZINC001689188767 1294654668 /nfs/dbraw/zinc/65/46/68/1294654668.db2.gz ASYIXUBMPJWMPP-FUHWJXTLSA-N 2 2 361.490 0.976 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001689655167 1294819421 /nfs/dbraw/zinc/81/94/21/1294819421.db2.gz OJNIDXGQCXRPHX-XOKHGSTOSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001689655167 1294819431 /nfs/dbraw/zinc/81/94/31/1294819431.db2.gz OJNIDXGQCXRPHX-XOKHGSTOSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001689655167 1294819441 /nfs/dbraw/zinc/81/94/41/1294819441.db2.gz OJNIDXGQCXRPHX-XOKHGSTOSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001689655167 1294819444 /nfs/dbraw/zinc/81/94/44/1294819444.db2.gz OJNIDXGQCXRPHX-XOKHGSTOSA-N 2 2 361.490 0.988 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001689728658 1294831226 /nfs/dbraw/zinc/83/12/26/1294831226.db2.gz PGELKISTQFWGDL-SPYBWZPUSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001689728658 1294831235 /nfs/dbraw/zinc/83/12/35/1294831235.db2.gz PGELKISTQFWGDL-SPYBWZPUSA-N 2 2 361.490 0.973 20 0 FCADLP CS(=O)(=O)CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001690535363 1294872009 /nfs/dbraw/zinc/87/20/09/1294872009.db2.gz ICTOWPWUYAOKND-NWINJMCUSA-N 2 2 354.476 0.575 20 0 FCADLP CS(=O)(=O)CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001690535363 1294872016 /nfs/dbraw/zinc/87/20/16/1294872016.db2.gz ICTOWPWUYAOKND-NWINJMCUSA-N 2 2 354.476 0.575 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001690623152 1294876681 /nfs/dbraw/zinc/87/66/81/1294876681.db2.gz GUXGAYRGWHRBHU-MGPQQGTHSA-N 2 2 368.503 0.443 20 0 FCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001690657612 1294878048 /nfs/dbraw/zinc/87/80/48/1294878048.db2.gz RIJDTIVWIHCEKY-BZUAXINKSA-N 2 2 361.490 0.876 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001690943407 1294893878 /nfs/dbraw/zinc/89/38/78/1294893878.db2.gz DTIFRPGSKKXZNR-JKSUJKDBSA-N 2 2 350.463 0.674 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NCc2ccco2)CC[N@H+]1C ZINC001690943407 1294893889 /nfs/dbraw/zinc/89/38/89/1294893889.db2.gz DTIFRPGSKKXZNR-JKSUJKDBSA-N 2 2 350.463 0.674 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCc2ccco2)CC[NH+]1C ZINC001690943407 1294893904 /nfs/dbraw/zinc/89/39/04/1294893904.db2.gz DTIFRPGSKKXZNR-JKSUJKDBSA-N 2 2 350.463 0.674 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCc2ccco2)CC[NH+]1C ZINC001690943407 1294893916 /nfs/dbraw/zinc/89/39/16/1294893916.db2.gz DTIFRPGSKKXZNR-JKSUJKDBSA-N 2 2 350.463 0.674 20 0 FCADLP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(=O)Nc1ncccn1 ZINC001691651216 1294902275 /nfs/dbraw/zinc/90/22/75/1294902275.db2.gz JASMFIVOLLJYFI-MELADBBJSA-N 2 2 371.445 0.644 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001691659337 1294906918 /nfs/dbraw/zinc/90/69/18/1294906918.db2.gz FYUBOMVPPIFWAF-UONOGXRCSA-N 2 2 358.446 0.836 20 0 FCADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(n3)CC[NH2+]C4)CC2)C1=O ZINC001164636940 719269062 /nfs/dbraw/zinc/26/90/62/719269062.db2.gz ZBLHRFLUOXBKCV-UHFFFAOYSA-N 2 2 373.501 0.487 20 0 FCADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(n3)CC[NH2+]C4)CC2)C1=O ZINC001164636940 719269063 /nfs/dbraw/zinc/26/90/63/719269063.db2.gz ZBLHRFLUOXBKCV-UHFFFAOYSA-N 2 2 373.501 0.487 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2[nH+]ccc3c2NC(=O)CO3)CC1 ZINC001165011926 721738085 /nfs/dbraw/zinc/73/80/85/721738085.db2.gz XWOUOBOQSULAQH-UHFFFAOYSA-N 2 2 373.457 0.936 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928832 837565253 /nfs/dbraw/zinc/56/52/53/837565253.db2.gz LDVULYSGWYEWND-ULGWUFGESA-N 2 2 364.881 0.714 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928832 837565254 /nfs/dbraw/zinc/56/52/54/837565254.db2.gz LDVULYSGWYEWND-ULGWUFGESA-N 2 2 364.881 0.714 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC1 ZINC001070012612 837597069 /nfs/dbraw/zinc/59/70/69/837597069.db2.gz FLYXTWTVPFMFNF-NUOYGZHNSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC1 ZINC001070012612 837597074 /nfs/dbraw/zinc/59/70/74/837597074.db2.gz FLYXTWTVPFMFNF-NUOYGZHNSA-N 2 2 352.870 0.714 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070328370 837647233 /nfs/dbraw/zinc/64/72/33/837647233.db2.gz ZKXQUMBRVUERLX-KGLIPLIRSA-N 2 2 361.475 0.372 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074711354 837827169 /nfs/dbraw/zinc/82/71/69/837827169.db2.gz XYJGFONZTHJTTL-BFJAYTPKSA-N 2 2 350.467 0.096 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074711354 837827176 /nfs/dbraw/zinc/82/71/76/837827176.db2.gz XYJGFONZTHJTTL-BFJAYTPKSA-N 2 2 350.467 0.096 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ncc(Cl)n2C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074711398 837827981 /nfs/dbraw/zinc/82/79/81/837827981.db2.gz ZNUIXJUISNRBEB-ZOBORPQBSA-N 2 2 369.897 0.872 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ncc(Cl)n2C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074711398 837827994 /nfs/dbraw/zinc/82/79/94/837827994.db2.gz ZNUIXJUISNRBEB-ZOBORPQBSA-N 2 2 369.897 0.872 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001099307141 844015125 /nfs/dbraw/zinc/01/51/25/844015125.db2.gz FBDLILMRAUHAQK-UTUOFQBUSA-N 2 2 362.400 0.634 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F)N1CCC1 ZINC001099313323 844017761 /nfs/dbraw/zinc/01/77/61/844017761.db2.gz CFCUZGQNZXOVQH-VXGBXAGGSA-N 2 2 359.352 0.163 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099337075 844030868 /nfs/dbraw/zinc/03/08/68/844030868.db2.gz GHGUJWSCUHNAJW-JFGNBEQYSA-N 2 2 361.368 0.503 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(CCC[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025832 /nfs/dbraw/zinc/02/58/32/836025832.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(CCC[N@@H+]2CCN(C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025848 /nfs/dbraw/zinc/02/58/48/836025848.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(CCC[NH+]2CCN(C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025862 /nfs/dbraw/zinc/02/58/62/836025862.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(CCC[NH+]2CCN(C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025876 /nfs/dbraw/zinc/02/58/76/836025876.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@@H](O)CN1CC[N@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025888 /nfs/dbraw/zinc/02/58/88/836025888.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@@H](O)CN1CC[N@@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025900 /nfs/dbraw/zinc/02/59/00/836025900.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@@H](O)CN1CC[NH+](CCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025917 /nfs/dbraw/zinc/02/59/17/836025917.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@@H](O)CN1CC[NH+](CCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202478 836025925 /nfs/dbraw/zinc/02/59/25/836025925.db2.gz AHDBKXCERXAOMJ-SEXKYXSUSA-N 2 2 356.555 0.150 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745802376 836153007 /nfs/dbraw/zinc/15/30/07/836153007.db2.gz LMYHLHUUSIDIHG-GVDBMIGSSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745802376 836153013 /nfs/dbraw/zinc/15/30/13/836153013.db2.gz LMYHLHUUSIDIHG-GVDBMIGSSA-N 2 2 352.479 0.356 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)C[C@H]3CCCO3)C2)CC1 ZINC000884164012 836554060 /nfs/dbraw/zinc/55/40/60/836554060.db2.gz VNKAXBVVVWQYRX-ZMSDIMECSA-N 2 2 354.495 0.384 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)C[C@H]3CCCO3)C2)CC1 ZINC000884164012 836554066 /nfs/dbraw/zinc/55/40/66/836554066.db2.gz VNKAXBVVVWQYRX-ZMSDIMECSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncs4)C[C@H]32)O1 ZINC001075940206 837930944 /nfs/dbraw/zinc/93/09/44/837930944.db2.gz CXXPQNMKLOVQPF-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncs4)C[C@H]32)O1 ZINC001075940206 837930948 /nfs/dbraw/zinc/93/09/48/837930948.db2.gz CXXPQNMKLOVQPF-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cncs4)C[C@H]32)O1 ZINC001075940206 837930954 /nfs/dbraw/zinc/93/09/54/837930954.db2.gz CXXPQNMKLOVQPF-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cncs4)C[C@H]32)O1 ZINC001075940206 837930957 /nfs/dbraw/zinc/93/09/57/837930957.db2.gz CXXPQNMKLOVQPF-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076295037 837978595 /nfs/dbraw/zinc/97/85/95/837978595.db2.gz CFHKVOHWOOCELA-IJEWVQPXSA-N 2 2 366.487 0.310 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076295037 837978598 /nfs/dbraw/zinc/97/85/98/837978598.db2.gz CFHKVOHWOOCELA-IJEWVQPXSA-N 2 2 366.487 0.310 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237800 838843330 /nfs/dbraw/zinc/84/33/30/838843330.db2.gz RSEGXNIWMHDJQS-IXDOHACOSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237800 838843336 /nfs/dbraw/zinc/84/33/36/838843336.db2.gz RSEGXNIWMHDJQS-IXDOHACOSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077237800 838843341 /nfs/dbraw/zinc/84/33/41/838843341.db2.gz RSEGXNIWMHDJQS-IXDOHACOSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237800 838843346 /nfs/dbraw/zinc/84/33/46/838843346.db2.gz RSEGXNIWMHDJQS-IXDOHACOSA-N 2 2 350.463 0.691 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299681 838887619 /nfs/dbraw/zinc/88/76/19/838887619.db2.gz NAZMOWULPGAHPL-MCIONIFRSA-N 2 2 359.417 0.200 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299681 838887633 /nfs/dbraw/zinc/88/76/33/838887633.db2.gz NAZMOWULPGAHPL-MCIONIFRSA-N 2 2 359.417 0.200 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308621 838894292 /nfs/dbraw/zinc/89/42/92/838894292.db2.gz CZOQXVISOAFDJI-HZPDHXFCSA-N 2 2 357.439 0.808 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308621 838894304 /nfs/dbraw/zinc/89/43/04/838894304.db2.gz CZOQXVISOAFDJI-HZPDHXFCSA-N 2 2 357.439 0.808 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077582535 839054170 /nfs/dbraw/zinc/05/41/70/839054170.db2.gz KKJJDGBXXNZOCH-HZPDHXFCSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077582535 839054181 /nfs/dbraw/zinc/05/41/81/839054181.db2.gz KKJJDGBXXNZOCH-HZPDHXFCSA-N 2 2 351.447 0.685 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O ZINC001077697797 839119784 /nfs/dbraw/zinc/11/97/84/839119784.db2.gz AHHNFZOZZIAPQK-KCYZZUKISA-N 2 2 360.483 0.989 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O ZINC001077697797 839119788 /nfs/dbraw/zinc/11/97/88/839119788.db2.gz AHHNFZOZZIAPQK-KCYZZUKISA-N 2 2 360.483 0.989 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174625 839378361 /nfs/dbraw/zinc/37/83/61/839378361.db2.gz QOLQRXJAMWZPCL-RRFJBIMHSA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174625 839378375 /nfs/dbraw/zinc/37/83/75/839378375.db2.gz QOLQRXJAMWZPCL-RRFJBIMHSA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174625 839378388 /nfs/dbraw/zinc/37/83/88/839378388.db2.gz QOLQRXJAMWZPCL-RRFJBIMHSA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174625 839378404 /nfs/dbraw/zinc/37/84/04/839378404.db2.gz QOLQRXJAMWZPCL-RRFJBIMHSA-N 2 2 350.463 0.719 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1Cl ZINC001078174561 839379657 /nfs/dbraw/zinc/37/96/57/839379657.db2.gz PHBYHLCBSBOPPI-RBSFLKMASA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1Cl ZINC001078174561 839379670 /nfs/dbraw/zinc/37/96/70/839379670.db2.gz PHBYHLCBSBOPPI-RBSFLKMASA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1Cl ZINC001078174561 839379685 /nfs/dbraw/zinc/37/96/85/839379685.db2.gz PHBYHLCBSBOPPI-RBSFLKMASA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1Cl ZINC001078174561 839379700 /nfs/dbraw/zinc/37/97/00/839379700.db2.gz PHBYHLCBSBOPPI-RBSFLKMASA-N 2 2 367.877 0.962 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175332 839380750 /nfs/dbraw/zinc/38/07/50/839380750.db2.gz YERZYCUKGDTKTL-JCURWCKSSA-N 2 2 353.413 0.620 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175332 839380766 /nfs/dbraw/zinc/38/07/66/839380766.db2.gz YERZYCUKGDTKTL-JCURWCKSSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175332 839380777 /nfs/dbraw/zinc/38/07/77/839380777.db2.gz YERZYCUKGDTKTL-JCURWCKSSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175332 839380787 /nfs/dbraw/zinc/38/07/87/839380787.db2.gz YERZYCUKGDTKTL-JCURWCKSSA-N 2 2 353.413 0.620 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079495060 839537265 /nfs/dbraw/zinc/53/72/65/839537265.db2.gz XDVCCQBJKCZSSJ-BPLDGKMQSA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079495060 839537268 /nfs/dbraw/zinc/53/72/68/839537268.db2.gz XDVCCQBJKCZSSJ-BPLDGKMQSA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079495060 839537273 /nfs/dbraw/zinc/53/72/73/839537273.db2.gz XDVCCQBJKCZSSJ-BPLDGKMQSA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079495060 839537278 /nfs/dbraw/zinc/53/72/78/839537278.db2.gz XDVCCQBJKCZSSJ-BPLDGKMQSA-N 2 2 352.504 0.749 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079967726 839634624 /nfs/dbraw/zinc/63/46/24/839634624.db2.gz VWAJAHJUEHLJQO-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079967726 839634631 /nfs/dbraw/zinc/63/46/31/839634631.db2.gz VWAJAHJUEHLJQO-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079967726 839634640 /nfs/dbraw/zinc/63/46/40/839634640.db2.gz VWAJAHJUEHLJQO-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079967726 839634643 /nfs/dbraw/zinc/63/46/43/839634643.db2.gz VWAJAHJUEHLJQO-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080941225 839838046 /nfs/dbraw/zinc/83/80/46/839838046.db2.gz XWAGOWHIDHVRIP-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080941225 839838053 /nfs/dbraw/zinc/83/80/53/839838053.db2.gz XWAGOWHIDHVRIP-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036933 839871917 /nfs/dbraw/zinc/87/19/17/839871917.db2.gz HUZHKVCRKAIVSY-RBSFLKMASA-N 2 2 354.476 0.144 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036933 839871922 /nfs/dbraw/zinc/87/19/22/839871922.db2.gz HUZHKVCRKAIVSY-RBSFLKMASA-N 2 2 354.476 0.144 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481884 839941573 /nfs/dbraw/zinc/94/15/73/839941573.db2.gz YXCQWGHQBVMYQG-OAGGEKHMSA-N 2 2 353.488 0.703 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481884 839941580 /nfs/dbraw/zinc/94/15/80/839941580.db2.gz YXCQWGHQBVMYQG-OAGGEKHMSA-N 2 2 353.488 0.703 20 0 FCADLP CO[C@@H]1C[NH+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481884 839941587 /nfs/dbraw/zinc/94/15/87/839941587.db2.gz YXCQWGHQBVMYQG-OAGGEKHMSA-N 2 2 353.488 0.703 20 0 FCADLP CO[C@@H]1C[NH+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481884 839941595 /nfs/dbraw/zinc/94/15/95/839941595.db2.gz YXCQWGHQBVMYQG-OAGGEKHMSA-N 2 2 353.488 0.703 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102465914 844508629 /nfs/dbraw/zinc/50/86/29/844508629.db2.gz BOHJBHZUHAQNBY-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102465914 844508632 /nfs/dbraw/zinc/50/86/32/844508632.db2.gz BOHJBHZUHAQNBY-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102482852 844521554 /nfs/dbraw/zinc/52/15/54/844521554.db2.gz MEOQEDUVHRRXMM-MGPQQGTHSA-N 2 2 356.492 0.317 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102482852 844521560 /nfs/dbraw/zinc/52/15/60/844521560.db2.gz MEOQEDUVHRRXMM-MGPQQGTHSA-N 2 2 356.492 0.317 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327505 840312291 /nfs/dbraw/zinc/31/22/91/840312291.db2.gz XWNBLEZFUAEQPR-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327505 840312306 /nfs/dbraw/zinc/31/23/06/840312306.db2.gz XWNBLEZFUAEQPR-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](OC)C2)C1 ZINC001082345857 840328604 /nfs/dbraw/zinc/32/86/04/840328604.db2.gz FQEZHLUYLSJKHA-GMGZGELVSA-N 2 2 350.463 0.891 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](OC)C2)C1 ZINC001082345857 840328615 /nfs/dbraw/zinc/32/86/15/840328615.db2.gz FQEZHLUYLSJKHA-GMGZGELVSA-N 2 2 350.463 0.891 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082492308 840436603 /nfs/dbraw/zinc/43/66/03/840436603.db2.gz PBCYQSPFULKDER-UKRRQHHQSA-N 2 2 368.503 0.604 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001082559741 840465489 /nfs/dbraw/zinc/46/54/89/840465489.db2.gz NYAOXEHFFQXIKF-KFNAQCHYSA-N 2 2 351.451 0.493 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC001082590336 840478955 /nfs/dbraw/zinc/47/89/55/840478955.db2.gz QEQIDYWJXCMIFZ-CZPYZCIJSA-N 2 2 369.897 0.729 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC001082590336 840478961 /nfs/dbraw/zinc/47/89/61/840478961.db2.gz QEQIDYWJXCMIFZ-CZPYZCIJSA-N 2 2 369.897 0.729 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082766627 840548185 /nfs/dbraw/zinc/54/81/85/840548185.db2.gz MXSFTGJMWGXGQU-IUODEOHRSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082798290 840563023 /nfs/dbraw/zinc/56/30/23/840563023.db2.gz LMQNAQFGJJBPFX-IUODEOHRSA-N 2 2 363.491 0.547 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC001082828174 840577000 /nfs/dbraw/zinc/57/70/00/840577000.db2.gz WMFFRZIPYGMFMZ-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)no1 ZINC001082923264 840603566 /nfs/dbraw/zinc/60/35/66/840603566.db2.gz AMBYXNBWZUJINI-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082923331 840603682 /nfs/dbraw/zinc/60/36/82/840603682.db2.gz DYUWSNZIMWZESR-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001083086216 840698600 /nfs/dbraw/zinc/69/86/00/840698600.db2.gz GINVURXIYKZBAN-OWCLPIDISA-N 2 2 350.463 0.955 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001083086216 840698609 /nfs/dbraw/zinc/69/86/09/840698609.db2.gz GINVURXIYKZBAN-OWCLPIDISA-N 2 2 350.463 0.955 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579934 844574227 /nfs/dbraw/zinc/57/42/27/844574227.db2.gz XRNAOKRCZYLEPD-ZIAGYGMSSA-N 2 2 350.467 0.416 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579934 844574233 /nfs/dbraw/zinc/57/42/33/844574233.db2.gz XRNAOKRCZYLEPD-ZIAGYGMSSA-N 2 2 350.467 0.416 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369360 840941120 /nfs/dbraw/zinc/94/11/20/840941120.db2.gz TXDDOJVXIIDVCA-KFWWJZLASA-N 2 2 361.471 0.447 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369360 840941133 /nfs/dbraw/zinc/94/11/33/840941133.db2.gz TXDDOJVXIIDVCA-KFWWJZLASA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369360 840941143 /nfs/dbraw/zinc/94/11/43/840941143.db2.gz TXDDOJVXIIDVCA-KFWWJZLASA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369360 840941152 /nfs/dbraw/zinc/94/11/52/840941152.db2.gz TXDDOJVXIIDVCA-KFWWJZLASA-N 2 2 361.471 0.447 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372839 840945885 /nfs/dbraw/zinc/94/58/85/840945885.db2.gz HIJZHRPFPQWCSJ-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372839 840945888 /nfs/dbraw/zinc/94/58/88/840945888.db2.gz HIJZHRPFPQWCSJ-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372839 840945891 /nfs/dbraw/zinc/94/58/91/840945891.db2.gz HIJZHRPFPQWCSJ-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372839 840945900 /nfs/dbraw/zinc/94/59/00/840945900.db2.gz HIJZHRPFPQWCSJ-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455906 841023234 /nfs/dbraw/zinc/02/32/34/841023234.db2.gz YGLWNXJJNDRWKR-ZACQAIPSSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455906 841023247 /nfs/dbraw/zinc/02/32/47/841023247.db2.gz YGLWNXJJNDRWKR-ZACQAIPSSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455906 841023255 /nfs/dbraw/zinc/02/32/55/841023255.db2.gz YGLWNXJJNDRWKR-ZACQAIPSSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455906 841023263 /nfs/dbraw/zinc/02/32/63/841023263.db2.gz YGLWNXJJNDRWKR-ZACQAIPSSA-N 2 2 350.463 0.826 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001083470082 841042828 /nfs/dbraw/zinc/04/28/28/841042828.db2.gz YDMYTBFOCHNROU-IMXUSNCQSA-N 2 2 371.909 0.647 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001083470082 841042842 /nfs/dbraw/zinc/04/28/42/841042842.db2.gz YDMYTBFOCHNROU-IMXUSNCQSA-N 2 2 371.909 0.647 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083474719 841050838 /nfs/dbraw/zinc/05/08/38/841050838.db2.gz WYKKOWPIYJBYPA-SVGFKBNWSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@@H]2O)CC[N@H+]1C ZINC001083474719 841050850 /nfs/dbraw/zinc/05/08/50/841050850.db2.gz WYKKOWPIYJBYPA-SVGFKBNWSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@@H]2O)CC[NH+]1C ZINC001083474719 841050864 /nfs/dbraw/zinc/05/08/64/841050864.db2.gz WYKKOWPIYJBYPA-SVGFKBNWSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@@H]2O)CC[NH+]1C ZINC001083474719 841050881 /nfs/dbraw/zinc/05/08/81/841050881.db2.gz WYKKOWPIYJBYPA-SVGFKBNWSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1)OC ZINC001083478162 841054372 /nfs/dbraw/zinc/05/43/72/841054372.db2.gz XZGUJQWYQURTGQ-OAGGEKHMSA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1)OC ZINC001083478162 841054385 /nfs/dbraw/zinc/05/43/85/841054385.db2.gz XZGUJQWYQURTGQ-OAGGEKHMSA-N 2 2 350.463 0.348 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616600 844604410 /nfs/dbraw/zinc/60/44/10/844604410.db2.gz IWVXVZJIIBGKRB-UKRRQHHQSA-N 2 2 363.487 0.799 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616600 844604418 /nfs/dbraw/zinc/60/44/18/844604418.db2.gz IWVXVZJIIBGKRB-UKRRQHHQSA-N 2 2 363.487 0.799 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616583 844605337 /nfs/dbraw/zinc/60/53/37/844605337.db2.gz IALNRWNTMLIOHM-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616583 844605342 /nfs/dbraw/zinc/60/53/42/844605342.db2.gz IALNRWNTMLIOHM-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522303 841120145 /nfs/dbraw/zinc/12/01/45/841120145.db2.gz BCYSCFKUEJPEDE-KFWWJZLASA-N 2 2 361.471 0.621 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522303 841120151 /nfs/dbraw/zinc/12/01/51/841120151.db2.gz BCYSCFKUEJPEDE-KFWWJZLASA-N 2 2 361.471 0.621 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cs1 ZINC001083565362 841176552 /nfs/dbraw/zinc/17/65/52/841176552.db2.gz ODWPHBNXDKPKSJ-BQDHKBFISA-N 2 2 353.488 0.437 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cs1 ZINC001083565362 841176553 /nfs/dbraw/zinc/17/65/53/841176553.db2.gz ODWPHBNXDKPKSJ-BQDHKBFISA-N 2 2 353.488 0.437 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cs1 ZINC001083565362 841176556 /nfs/dbraw/zinc/17/65/56/841176556.db2.gz ODWPHBNXDKPKSJ-BQDHKBFISA-N 2 2 353.488 0.437 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cs1 ZINC001083565362 841176560 /nfs/dbraw/zinc/17/65/60/841176560.db2.gz ODWPHBNXDKPKSJ-BQDHKBFISA-N 2 2 353.488 0.437 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583840 841199524 /nfs/dbraw/zinc/19/95/24/841199524.db2.gz ULSUUASPMJBXIC-CFVMTHIKSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583840 841199532 /nfs/dbraw/zinc/19/95/32/841199532.db2.gz ULSUUASPMJBXIC-CFVMTHIKSA-N 2 2 354.401 0.652 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668419 841292173 /nfs/dbraw/zinc/29/21/73/841292173.db2.gz QDONQECKKSKHMY-HLLBOEOZSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668419 841292182 /nfs/dbraw/zinc/29/21/82/841292182.db2.gz QDONQECKKSKHMY-HLLBOEOZSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749458 841391444 /nfs/dbraw/zinc/39/14/44/841391444.db2.gz ALDOYWYNSXZUKF-CVEARBPZSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749458 841391457 /nfs/dbraw/zinc/39/14/57/841391457.db2.gz ALDOYWYNSXZUKF-CVEARBPZSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)s1 ZINC001083778275 841422652 /nfs/dbraw/zinc/42/26/52/841422652.db2.gz HHNNMILSUSDOSX-GLQYFDAESA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)s1 ZINC001083778275 841422657 /nfs/dbraw/zinc/42/26/57/841422657.db2.gz HHNNMILSUSDOSX-GLQYFDAESA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)s1 ZINC001083778275 841422662 /nfs/dbraw/zinc/42/26/62/841422662.db2.gz HHNNMILSUSDOSX-GLQYFDAESA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)s1 ZINC001083778275 841422667 /nfs/dbraw/zinc/42/26/67/841422667.db2.gz HHNNMILSUSDOSX-GLQYFDAESA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083778272 841423086 /nfs/dbraw/zinc/42/30/86/841423086.db2.gz HEZBQXCCGVYJDN-MAZHCROVSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083778272 841423088 /nfs/dbraw/zinc/42/30/88/841423088.db2.gz HEZBQXCCGVYJDN-MAZHCROVSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083778272 841423097 /nfs/dbraw/zinc/42/30/97/841423097.db2.gz HEZBQXCCGVYJDN-MAZHCROVSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)cs1 ZINC001083778272 841423103 /nfs/dbraw/zinc/42/31/03/841423103.db2.gz HEZBQXCCGVYJDN-MAZHCROVSA-N 2 2 352.504 0.640 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780514 841426298 /nfs/dbraw/zinc/42/62/98/841426298.db2.gz AWNCZCZMMFBAMU-VUCTXSBTSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780514 841426300 /nfs/dbraw/zinc/42/63/00/841426300.db2.gz AWNCZCZMMFBAMU-VUCTXSBTSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780514 841426302 /nfs/dbraw/zinc/42/63/02/841426302.db2.gz AWNCZCZMMFBAMU-VUCTXSBTSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780514 841426305 /nfs/dbraw/zinc/42/63/05/841426305.db2.gz AWNCZCZMMFBAMU-VUCTXSBTSA-N 2 2 350.463 0.549 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780935 841427311 /nfs/dbraw/zinc/42/73/11/841427311.db2.gz PLULXUUCZIRHCM-XZJROXQQSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780935 841427314 /nfs/dbraw/zinc/42/73/14/841427314.db2.gz PLULXUUCZIRHCM-XZJROXQQSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780935 841427318 /nfs/dbraw/zinc/42/73/18/841427318.db2.gz PLULXUUCZIRHCM-XZJROXQQSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780935 841427319 /nfs/dbraw/zinc/42/73/19/841427319.db2.gz PLULXUUCZIRHCM-XZJROXQQSA-N 2 2 352.504 0.763 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053915 841667762 /nfs/dbraw/zinc/66/77/62/841667762.db2.gz PHBYHLCBSBOPPI-ZNMIVQPWSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053915 841667768 /nfs/dbraw/zinc/66/77/68/841667768.db2.gz PHBYHLCBSBOPPI-ZNMIVQPWSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053915 841667776 /nfs/dbraw/zinc/66/77/76/841667776.db2.gz PHBYHLCBSBOPPI-ZNMIVQPWSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053915 841667783 /nfs/dbraw/zinc/66/77/83/841667783.db2.gz PHBYHLCBSBOPPI-ZNMIVQPWSA-N 2 2 367.877 0.962 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054139 841669147 /nfs/dbraw/zinc/66/91/47/841669147.db2.gz YERZYCUKGDTKTL-VUCTXSBTSA-N 2 2 353.413 0.620 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054139 841669150 /nfs/dbraw/zinc/66/91/50/841669150.db2.gz YERZYCUKGDTKTL-VUCTXSBTSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054139 841669154 /nfs/dbraw/zinc/66/91/54/841669154.db2.gz YERZYCUKGDTKTL-VUCTXSBTSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054139 841669158 /nfs/dbraw/zinc/66/91/58/841669158.db2.gz YERZYCUKGDTKTL-VUCTXSBTSA-N 2 2 353.413 0.620 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056718 841671353 /nfs/dbraw/zinc/67/13/53/841671353.db2.gz KYEWUYIOHWLYKU-WQVCFCJDSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056718 841671359 /nfs/dbraw/zinc/67/13/59/841671359.db2.gz KYEWUYIOHWLYKU-WQVCFCJDSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056718 841671365 /nfs/dbraw/zinc/67/13/65/841671365.db2.gz KYEWUYIOHWLYKU-WQVCFCJDSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056718 841671369 /nfs/dbraw/zinc/67/13/69/841671369.db2.gz KYEWUYIOHWLYKU-WQVCFCJDSA-N 2 2 351.422 0.447 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345599 841773556 /nfs/dbraw/zinc/77/35/56/841773556.db2.gz IIMSZAMDCYBGAB-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345599 841773559 /nfs/dbraw/zinc/77/35/59/841773559.db2.gz IIMSZAMDCYBGAB-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877363 861241262 /nfs/dbraw/zinc/24/12/62/861241262.db2.gz AZSLYKDCILGPKX-APWZRJJASA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877363 861241275 /nfs/dbraw/zinc/24/12/75/861241275.db2.gz AZSLYKDCILGPKX-APWZRJJASA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877363 861241285 /nfs/dbraw/zinc/24/12/85/861241285.db2.gz AZSLYKDCILGPKX-APWZRJJASA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877363 861241296 /nfs/dbraw/zinc/24/12/96/861241296.db2.gz AZSLYKDCILGPKX-APWZRJJASA-N 3 2 350.507 0.731 20 0 FCADLP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(COCCOC)C(=O)CO3)CC1 ZINC001275878059 861241458 /nfs/dbraw/zinc/24/14/58/861241458.db2.gz GTXFIYQSXLBDQX-UHFFFAOYSA-N 2 2 355.479 0.252 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](Cc3cncs3)C[C@H]21 ZINC001084722401 841900274 /nfs/dbraw/zinc/90/02/74/841900274.db2.gz NLNIRFOQGQZRML-GDBMZVCRSA-N 2 2 350.488 0.898 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](Cc3cncs3)C[C@H]21 ZINC001084722401 841900283 /nfs/dbraw/zinc/90/02/83/841900283.db2.gz NLNIRFOQGQZRML-GDBMZVCRSA-N 2 2 350.488 0.898 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084844246 841932321 /nfs/dbraw/zinc/93/23/21/841932321.db2.gz LQKNOKBOBBLTFV-DJIMGWMZSA-N 2 2 364.515 0.939 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084844246 841932330 /nfs/dbraw/zinc/93/23/30/841932330.db2.gz LQKNOKBOBBLTFV-DJIMGWMZSA-N 2 2 364.515 0.939 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084844246 841932338 /nfs/dbraw/zinc/93/23/38/841932338.db2.gz LQKNOKBOBBLTFV-DJIMGWMZSA-N 2 2 364.515 0.939 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084844246 841932344 /nfs/dbraw/zinc/93/23/44/841932344.db2.gz LQKNOKBOBBLTFV-DJIMGWMZSA-N 2 2 364.515 0.939 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC001085159347 842030479 /nfs/dbraw/zinc/03/04/79/842030479.db2.gz QFGZZTOMFJVYJZ-MGPQQGTHSA-N 2 2 367.519 0.948 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC001085159347 842030493 /nfs/dbraw/zinc/03/04/93/842030493.db2.gz QFGZZTOMFJVYJZ-MGPQQGTHSA-N 2 2 367.519 0.948 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737268 842113637 /nfs/dbraw/zinc/11/36/37/842113637.db2.gz JFQMKAKIAJGRQP-KURKYZTESA-N 2 2 351.491 0.809 20 0 FCADLP CN(C[C@H]1CC[N@H+]1CC1CC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737268 842113640 /nfs/dbraw/zinc/11/36/40/842113640.db2.gz JFQMKAKIAJGRQP-KURKYZTESA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086400418 842130357 /nfs/dbraw/zinc/13/03/57/842130357.db2.gz GTBAVEZVJSTXGG-KJWHEZOQSA-N 2 2 350.467 0.080 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086400418 842130361 /nfs/dbraw/zinc/13/03/61/842130361.db2.gz GTBAVEZVJSTXGG-KJWHEZOQSA-N 2 2 350.467 0.080 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086400419 842130671 /nfs/dbraw/zinc/13/06/71/842130671.db2.gz GTBAVEZVJSTXGG-XLWJZTARSA-N 2 2 350.467 0.080 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086400419 842130678 /nfs/dbraw/zinc/13/06/78/842130678.db2.gz GTBAVEZVJSTXGG-XLWJZTARSA-N 2 2 350.467 0.080 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)oc1C ZINC001086664409 842145792 /nfs/dbraw/zinc/14/57/92/842145792.db2.gz NDPAUEOLQACVAQ-XHSDSOJGSA-N 2 2 350.463 0.997 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)oc1C ZINC001086664409 842145798 /nfs/dbraw/zinc/14/57/98/842145798.db2.gz NDPAUEOLQACVAQ-XHSDSOJGSA-N 2 2 350.463 0.997 20 0 FCADLP CN(C)c1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ns1 ZINC001086874671 842186636 /nfs/dbraw/zinc/18/66/36/842186636.db2.gz NHCCYONJMJVHOK-BFHYXJOUSA-N 2 2 366.535 0.930 20 0 FCADLP CN(C)c1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ns1 ZINC001086874671 842186640 /nfs/dbraw/zinc/18/66/40/842186640.db2.gz NHCCYONJMJVHOK-BFHYXJOUSA-N 2 2 366.535 0.930 20 0 FCADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276015771 861289592 /nfs/dbraw/zinc/28/95/92/861289592.db2.gz IQFHAZLLHMWXTM-KRWDZBQOSA-N 2 2 369.897 0.747 20 0 FCADLP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276015771 861289604 /nfs/dbraw/zinc/28/96/04/861289604.db2.gz IQFHAZLLHMWXTM-KRWDZBQOSA-N 2 2 369.897 0.747 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087070660 842265086 /nfs/dbraw/zinc/26/50/86/842265086.db2.gz BIUMFCUNTBTXSH-GVDBMIGSSA-N 2 2 350.463 0.763 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001087087918 842281076 /nfs/dbraw/zinc/28/10/76/842281076.db2.gz BFOBJGWLUUUAKQ-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001087094256 842284294 /nfs/dbraw/zinc/28/42/94/842284294.db2.gz ZODDSBWJDXPKCF-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087097174 842286739 /nfs/dbraw/zinc/28/67/39/842286739.db2.gz ZZDGOZCQMBPNJH-IUODEOHRSA-N 2 2 364.475 0.467 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087097019 842287078 /nfs/dbraw/zinc/28/70/78/842287078.db2.gz QKXGUZCPDPJBHT-TZMCWYRMSA-N 2 2 364.475 0.467 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001087219801 842320222 /nfs/dbraw/zinc/32/02/22/842320222.db2.gz PBUDWQAGXPILSB-FMKPAKJESA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001088658173 842643600 /nfs/dbraw/zinc/64/36/00/842643600.db2.gz MEJVMRUXXJNVCX-LUYZLQTOSA-N 2 2 369.897 0.835 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCn1cc(Cl)cn1 ZINC001088658173 842643607 /nfs/dbraw/zinc/64/36/07/842643607.db2.gz MEJVMRUXXJNVCX-LUYZLQTOSA-N 2 2 369.897 0.835 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001088658173 842643620 /nfs/dbraw/zinc/64/36/20/842643620.db2.gz MEJVMRUXXJNVCX-LUYZLQTOSA-N 2 2 369.897 0.835 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001088658173 842643626 /nfs/dbraw/zinc/64/36/26/842643626.db2.gz MEJVMRUXXJNVCX-LUYZLQTOSA-N 2 2 369.897 0.835 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088666292 842645847 /nfs/dbraw/zinc/64/58/47/842645847.db2.gz BOYQWESGINWKAJ-PVAVHDDUSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088666292 842645850 /nfs/dbraw/zinc/64/58/50/842645850.db2.gz BOYQWESGINWKAJ-PVAVHDDUSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088666292 842645853 /nfs/dbraw/zinc/64/58/53/842645853.db2.gz BOYQWESGINWKAJ-PVAVHDDUSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088666292 842645855 /nfs/dbraw/zinc/64/58/55/842645855.db2.gz BOYQWESGINWKAJ-PVAVHDDUSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088666291 842645996 /nfs/dbraw/zinc/64/59/96/842645996.db2.gz BOYQWESGINWKAJ-HYVNUMGLSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088666291 842645998 /nfs/dbraw/zinc/64/59/98/842645998.db2.gz BOYQWESGINWKAJ-HYVNUMGLSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088666291 842646003 /nfs/dbraw/zinc/64/60/03/842646003.db2.gz BOYQWESGINWKAJ-HYVNUMGLSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088666291 842646007 /nfs/dbraw/zinc/64/60/07/842646007.db2.gz BOYQWESGINWKAJ-HYVNUMGLSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+]1CCCF ZINC001088763139 842668743 /nfs/dbraw/zinc/66/87/43/842668743.db2.gz PWODZPXTKFBTKJ-NCOADZHNSA-N 2 2 357.470 0.805 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+]1CCCF ZINC001088763139 842668748 /nfs/dbraw/zinc/66/87/48/842668748.db2.gz PWODZPXTKFBTKJ-NCOADZHNSA-N 2 2 357.470 0.805 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccnc1F)C2 ZINC001276224324 861357599 /nfs/dbraw/zinc/35/75/99/861357599.db2.gz GJEKFLGKLJXLBW-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccnc1F)C2 ZINC001276224324 861357614 /nfs/dbraw/zinc/35/76/14/861357614.db2.gz GJEKFLGKLJXLBW-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291496 843180345 /nfs/dbraw/zinc/18/03/45/843180345.db2.gz DCWWZDBXDDXRHY-LMMKCTJWSA-N 2 2 351.491 0.524 20 0 FCADLP COCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291496 843180348 /nfs/dbraw/zinc/18/03/48/843180348.db2.gz DCWWZDBXDDXRHY-LMMKCTJWSA-N 2 2 351.491 0.524 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753461 843291779 /nfs/dbraw/zinc/29/17/79/843291779.db2.gz KEKXGCKIOONKDN-FRRDWIJNSA-N 2 2 351.451 0.168 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753461 843291792 /nfs/dbraw/zinc/29/17/92/843291792.db2.gz KEKXGCKIOONKDN-FRRDWIJNSA-N 2 2 351.451 0.168 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911731 843340068 /nfs/dbraw/zinc/34/00/68/843340068.db2.gz XNJGJUSPUVFETC-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911731 843340076 /nfs/dbraw/zinc/34/00/76/843340076.db2.gz XNJGJUSPUVFETC-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911731 843340084 /nfs/dbraw/zinc/34/00/84/843340084.db2.gz XNJGJUSPUVFETC-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911731 843340091 /nfs/dbraw/zinc/34/00/91/843340091.db2.gz XNJGJUSPUVFETC-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CCOC(=O)CC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317984 861412130 /nfs/dbraw/zinc/41/21/30/861412130.db2.gz QULNEHLAVGBKQC-QGZVFWFLSA-N 2 2 350.419 0.177 20 0 FCADLP CCOC(=O)CC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317984 861412141 /nfs/dbraw/zinc/41/21/41/861412141.db2.gz QULNEHLAVGBKQC-QGZVFWFLSA-N 2 2 350.419 0.177 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001098400656 843913952 /nfs/dbraw/zinc/91/39/52/843913952.db2.gz HRGHYVQJABTEES-HZMVEIRTSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001098400656 843913955 /nfs/dbraw/zinc/91/39/55/843913955.db2.gz HRGHYVQJABTEES-HZMVEIRTSA-N 2 2 369.531 0.629 20 0 FCADLP COCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482443 843923425 /nfs/dbraw/zinc/92/34/25/843923425.db2.gz GTVFVFNJYIHPNG-HZPDHXFCSA-N 2 2 350.463 0.455 20 0 FCADLP COCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482443 843923431 /nfs/dbraw/zinc/92/34/31/843923431.db2.gz GTVFVFNJYIHPNG-HZPDHXFCSA-N 2 2 350.463 0.455 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098482600 843924113 /nfs/dbraw/zinc/92/41/13/843924113.db2.gz PQHXAPYAUIGUQV-HZPDHXFCSA-N 2 2 350.463 0.191 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098482600 843924116 /nfs/dbraw/zinc/92/41/16/843924116.db2.gz PQHXAPYAUIGUQV-HZPDHXFCSA-N 2 2 350.463 0.191 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093005 843961595 /nfs/dbraw/zinc/96/15/95/843961595.db2.gz RPTXQHJTNOFAQS-GJYPPUQNSA-N 2 2 350.507 0.824 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093005 843961598 /nfs/dbraw/zinc/96/15/98/843961598.db2.gz RPTXQHJTNOFAQS-GJYPPUQNSA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099297767 844010678 /nfs/dbraw/zinc/01/06/78/844010678.db2.gz OUVXVUVXNYINQG-GHMZBOCLSA-N 2 2 362.352 0.419 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001103271648 844729849 /nfs/dbraw/zinc/72/98/49/844729849.db2.gz YKOLFESPVMRWHW-KURKYZTESA-N 2 2 355.523 0.944 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001103271648 844729856 /nfs/dbraw/zinc/72/98/56/844729856.db2.gz YKOLFESPVMRWHW-KURKYZTESA-N 2 2 355.523 0.944 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001103271648 844729859 /nfs/dbraw/zinc/72/98/59/844729859.db2.gz YKOLFESPVMRWHW-KURKYZTESA-N 2 2 355.523 0.944 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001103271648 844729864 /nfs/dbraw/zinc/72/98/64/844729864.db2.gz YKOLFESPVMRWHW-KURKYZTESA-N 2 2 355.523 0.944 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688125 844800126 /nfs/dbraw/zinc/80/01/26/844800126.db2.gz LGQWKKSKSHMQLO-INMHGKMJSA-N 2 2 352.479 0.434 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688125 844800129 /nfs/dbraw/zinc/80/01/29/844800129.db2.gz LGQWKKSKSHMQLO-INMHGKMJSA-N 2 2 352.479 0.434 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccon1 ZINC001104346452 844896167 /nfs/dbraw/zinc/89/61/67/844896167.db2.gz BKFZEOLJTFTSLA-KCYZZUKISA-N 2 2 350.463 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccon1 ZINC001104346452 844896170 /nfs/dbraw/zinc/89/61/70/844896170.db2.gz BKFZEOLJTFTSLA-KCYZZUKISA-N 2 2 350.463 0.968 20 0 FCADLP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440349 844912258 /nfs/dbraw/zinc/91/22/58/844912258.db2.gz ALUZHSMUDVQNBE-BZUAXINKSA-N 2 2 352.479 0.434 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104468908 844915247 /nfs/dbraw/zinc/91/52/47/844915247.db2.gz UZEVTBMDAMQVKF-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104910766 844959001 /nfs/dbraw/zinc/95/90/01/844959001.db2.gz OLZUVQBJXOBJKV-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106333271 845157881 /nfs/dbraw/zinc/15/78/81/845157881.db2.gz HDPHBBVRHMPKAN-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106748244 845240159 /nfs/dbraw/zinc/24/01/59/845240159.db2.gz PJSMBLZTTCFYKU-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106748244 845240174 /nfs/dbraw/zinc/24/01/74/845240174.db2.gz PJSMBLZTTCFYKU-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001106801254 845256424 /nfs/dbraw/zinc/25/64/24/845256424.db2.gz YIOKWDLCJIFDHU-OAGGEKHMSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001107079134 845326603 /nfs/dbraw/zinc/32/66/03/845326603.db2.gz UNAHPSANIWQOAV-ZACQAIPSSA-N 2 2 350.463 0.763 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001107078692 845327179 /nfs/dbraw/zinc/32/71/79/845327179.db2.gz JLQPHTSUJOSISH-RBSFLKMASA-N 2 2 356.492 0.248 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001107077859 845327225 /nfs/dbraw/zinc/32/72/25/845327225.db2.gz QFQMEJWQZDNYME-CHWSQXEVSA-N 2 2 362.459 0.662 20 0 FCADLP COC[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276727742 861557501 /nfs/dbraw/zinc/55/75/01/861557501.db2.gz SJUJMTOTSHOZAK-PBHICJAKSA-N 2 2 350.419 0.033 20 0 FCADLP COC[C@H](C(=O)OC)[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276727742 861557511 /nfs/dbraw/zinc/55/75/11/861557511.db2.gz SJUJMTOTSHOZAK-PBHICJAKSA-N 2 2 350.419 0.033 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107472810 845381620 /nfs/dbraw/zinc/38/16/20/845381620.db2.gz KBCBTAOWEQRTKP-NVXWUHKLSA-N 2 2 368.503 0.597 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107472810 845381632 /nfs/dbraw/zinc/38/16/32/845381632.db2.gz KBCBTAOWEQRTKP-NVXWUHKLSA-N 2 2 368.503 0.597 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588784 845404217 /nfs/dbraw/zinc/40/42/17/845404217.db2.gz RVBXCNZSITVAFY-CRAIPNDOSA-N 2 2 350.463 0.976 20 0 FCADLP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588784 845404224 /nfs/dbraw/zinc/40/42/24/845404224.db2.gz RVBXCNZSITVAFY-CRAIPNDOSA-N 2 2 350.463 0.976 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107652221 845416688 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CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020541 846015413 /nfs/dbraw/zinc/01/54/13/846015413.db2.gz FLQBPEWZYDYCOM-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020541 846015418 /nfs/dbraw/zinc/01/54/18/846015418.db2.gz FLQBPEWZYDYCOM-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111020541 846015422 /nfs/dbraw/zinc/01/54/22/846015422.db2.gz FLQBPEWZYDYCOM-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111020541 846015430 /nfs/dbraw/zinc/01/54/30/846015430.db2.gz FLQBPEWZYDYCOM-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021386 846016652 /nfs/dbraw/zinc/01/66/52/846016652.db2.gz SBSYTRDGNVWUIW-JJXSEGSLSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021386 846016660 /nfs/dbraw/zinc/01/66/60/846016660.db2.gz SBSYTRDGNVWUIW-JJXSEGSLSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111021386 846016666 /nfs/dbraw/zinc/01/66/66/846016666.db2.gz SBSYTRDGNVWUIW-JJXSEGSLSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111021386 846016672 /nfs/dbraw/zinc/01/66/72/846016672.db2.gz SBSYTRDGNVWUIW-JJXSEGSLSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111171877 846052924 /nfs/dbraw/zinc/05/29/24/846052924.db2.gz YDNLDRBOBJLBHW-FPCVCCKLSA-N 2 2 359.536 0.730 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111171877 846052929 /nfs/dbraw/zinc/05/29/29/846052929.db2.gz YDNLDRBOBJLBHW-FPCVCCKLSA-N 2 2 359.536 0.730 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111171397 846053559 /nfs/dbraw/zinc/05/35/59/846053559.db2.gz BNVKWQWAONWZSR-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111171397 846053564 /nfs/dbraw/zinc/05/35/64/846053564.db2.gz BNVKWQWAONWZSR-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179400 846054433 /nfs/dbraw/zinc/05/44/33/846054433.db2.gz FYEFYJTWPJSYRX-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179400 846054445 /nfs/dbraw/zinc/05/44/45/846054445.db2.gz FYEFYJTWPJSYRX-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1(CS(C)(=O)=O)CC1 ZINC001111233340 846066407 /nfs/dbraw/zinc/06/64/07/846066407.db2.gz MUGFSBMIESBDGX-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1(CS(C)(=O)=O)CC1 ZINC001111233340 846066414 /nfs/dbraw/zinc/06/64/14/846066414.db2.gz MUGFSBMIESBDGX-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001111233340 846066417 /nfs/dbraw/zinc/06/64/17/846066417.db2.gz MUGFSBMIESBDGX-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001111233340 846066424 /nfs/dbraw/zinc/06/64/24/846066424.db2.gz MUGFSBMIESBDGX-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276826149 861636627 /nfs/dbraw/zinc/63/66/27/861636627.db2.gz BRICARSKPCDQFX-WMZOPIPTSA-N 2 2 350.463 0.488 20 0 FCADLP CC(C)[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276826149 861636632 /nfs/dbraw/zinc/63/66/32/861636632.db2.gz BRICARSKPCDQFX-WMZOPIPTSA-N 2 2 350.463 0.488 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)CS(C)(=O)=O ZINC001111282105 846077945 /nfs/dbraw/zinc/07/79/45/846077945.db2.gz BENJFTIKVBLKHA-FPCVCCKLSA-N 2 2 369.531 0.484 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)CS(C)(=O)=O ZINC001111282105 846077953 /nfs/dbraw/zinc/07/79/53/846077953.db2.gz BENJFTIKVBLKHA-FPCVCCKLSA-N 2 2 369.531 0.484 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407046 846100312 /nfs/dbraw/zinc/10/03/12/846100312.db2.gz LLCMVQQGZRBSMC-JJXSEGSLSA-N 2 2 350.507 0.822 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407046 846100319 /nfs/dbraw/zinc/10/03/19/846100319.db2.gz LLCMVQQGZRBSMC-JJXSEGSLSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407046 846100324 /nfs/dbraw/zinc/10/03/24/846100324.db2.gz LLCMVQQGZRBSMC-JJXSEGSLSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407046 846100327 /nfs/dbraw/zinc/10/03/27/846100327.db2.gz LLCMVQQGZRBSMC-JJXSEGSLSA-N 2 2 350.507 0.822 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)C1 ZINC001111432824 846110513 /nfs/dbraw/zinc/11/05/13/846110513.db2.gz DKWSNUVASIHKIB-KBXIAJHMSA-N 2 2 361.433 0.710 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)C1 ZINC001111432824 846110519 /nfs/dbraw/zinc/11/05/19/846110519.db2.gz DKWSNUVASIHKIB-KBXIAJHMSA-N 2 2 361.433 0.710 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(F)F)C1 ZINC001111432824 846110523 /nfs/dbraw/zinc/11/05/23/846110523.db2.gz DKWSNUVASIHKIB-KBXIAJHMSA-N 2 2 361.433 0.710 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC(F)F)C1 ZINC001111432824 846110527 /nfs/dbraw/zinc/11/05/27/846110527.db2.gz DKWSNUVASIHKIB-KBXIAJHMSA-N 2 2 361.433 0.710 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001111463314 846118903 /nfs/dbraw/zinc/11/89/03/846118903.db2.gz JFQYTDDZRQCKOC-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001111463314 846118890 /nfs/dbraw/zinc/11/88/90/846118890.db2.gz JFQYTDDZRQCKOC-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001111463314 846118895 /nfs/dbraw/zinc/11/88/95/846118895.db2.gz JFQYTDDZRQCKOC-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001111463314 846118899 /nfs/dbraw/zinc/11/88/99/846118899.db2.gz JFQYTDDZRQCKOC-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(C)(C)C)C2 ZINC001111658466 846166219 /nfs/dbraw/zinc/16/62/19/846166219.db2.gz BFYGOQDVQLPYDC-KHYOSLBOSA-N 2 2 350.507 0.966 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(C)(C)C)C2 ZINC001111658466 846166223 /nfs/dbraw/zinc/16/62/23/846166223.db2.gz BFYGOQDVQLPYDC-KHYOSLBOSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C2 ZINC001111658466 846166225 /nfs/dbraw/zinc/16/62/25/846166225.db2.gz BFYGOQDVQLPYDC-KHYOSLBOSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C2 ZINC001111658466 846166229 /nfs/dbraw/zinc/16/62/29/846166229.db2.gz BFYGOQDVQLPYDC-KHYOSLBOSA-N 2 2 350.507 0.966 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCC2CC2)C3)C1 ZINC001111678652 846173324 /nfs/dbraw/zinc/17/33/24/846173324.db2.gz OAWHBZPQZGTINO-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCC2CC2)C3)C1 ZINC001111678652 846173333 /nfs/dbraw/zinc/17/33/33/846173333.db2.gz OAWHBZPQZGTINO-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCC2CC2)C3)C1 ZINC001111678652 846173337 /nfs/dbraw/zinc/17/33/37/846173337.db2.gz OAWHBZPQZGTINO-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCC2CC2)C3)C1 ZINC001111678652 846173342 /nfs/dbraw/zinc/17/33/42/846173342.db2.gz OAWHBZPQZGTINO-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001276868272 861657936 /nfs/dbraw/zinc/65/79/36/861657936.db2.gz IGRAZDHAOQIHRZ-UHFFFAOYSA-N 2 2 353.463 0.385 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984893 846283571 /nfs/dbraw/zinc/28/35/71/846283571.db2.gz SYCKOCPRVIBUOV-LPHOPBHVSA-N 2 2 350.507 0.969 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984893 846283588 /nfs/dbraw/zinc/28/35/88/846283588.db2.gz SYCKOCPRVIBUOV-LPHOPBHVSA-N 2 2 350.507 0.969 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112199696 846457031 /nfs/dbraw/zinc/45/70/31/846457031.db2.gz ZPLNHXHHYVYAKI-ZYHUDNBSSA-N 2 2 361.368 0.376 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112198226 846457174 /nfs/dbraw/zinc/45/71/74/846457174.db2.gz IQNJZPJGGZYTJK-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112198226 846457176 /nfs/dbraw/zinc/45/71/76/846457176.db2.gz IQNJZPJGGZYTJK-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112205911 846463264 /nfs/dbraw/zinc/46/32/64/846463264.db2.gz DLSTUEYETDLRDA-VXGBXAGGSA-N 2 2 361.368 0.307 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570125 846526187 /nfs/dbraw/zinc/52/61/87/846526187.db2.gz FZCSCIFODTUFAF-DAYGRLMNSA-N 2 2 350.463 0.486 20 0 FCADLP CCCC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001117367928 846984241 /nfs/dbraw/zinc/98/42/41/846984241.db2.gz ADWQTONFSYERKO-HNNXBMFYSA-N 2 2 350.507 0.968 20 0 FCADLP CCCC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001117367928 846984249 /nfs/dbraw/zinc/98/42/49/846984249.db2.gz ADWQTONFSYERKO-HNNXBMFYSA-N 2 2 350.507 0.968 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117368427 846985157 /nfs/dbraw/zinc/98/51/57/846985157.db2.gz DPPJGWICJPVDJB-CQSZACIVSA-N 2 2 354.495 0.155 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117368427 846985166 /nfs/dbraw/zinc/98/51/66/846985166.db2.gz DPPJGWICJPVDJB-CQSZACIVSA-N 2 2 354.495 0.155 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC(F)(F)C1 ZINC001117425664 847014889 /nfs/dbraw/zinc/01/48/89/847014889.db2.gz IUFYNZNPXLGRPI-ZDUSSCGKSA-N 2 2 360.449 0.775 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC(F)(F)C1 ZINC001117425664 847014893 /nfs/dbraw/zinc/01/48/93/847014893.db2.gz IUFYNZNPXLGRPI-ZDUSSCGKSA-N 2 2 360.449 0.775 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C2CC2)CC1 ZINC001117569169 847086302 /nfs/dbraw/zinc/08/63/02/847086302.db2.gz CJDPBUROZYMOAV-UHFFFAOYSA-N 2 2 350.507 0.777 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C2CC2)CC1 ZINC001117569169 847086309 /nfs/dbraw/zinc/08/63/09/847086309.db2.gz CJDPBUROZYMOAV-UHFFFAOYSA-N 2 2 350.507 0.777 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001118106419 847281825 /nfs/dbraw/zinc/28/18/25/847281825.db2.gz DCTVRZQFAZNYHW-HYVNUMGLSA-N 2 2 350.507 0.776 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001118106419 847281837 /nfs/dbraw/zinc/28/18/37/847281837.db2.gz DCTVRZQFAZNYHW-HYVNUMGLSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118236289 847338243 /nfs/dbraw/zinc/33/82/43/847338243.db2.gz YBFCJFZDTCRGKI-CWRNSKLLSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118236289 847338251 /nfs/dbraw/zinc/33/82/51/847338251.db2.gz YBFCJFZDTCRGKI-CWRNSKLLSA-N 2 2 368.547 0.624 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC001119237837 847783748 /nfs/dbraw/zinc/78/37/48/847783748.db2.gz NNYYFPZLZGRYQJ-CYBMUJFWSA-N 2 2 352.460 0.587 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001119249283 847787949 /nfs/dbraw/zinc/78/79/49/847787949.db2.gz AXPDXWWXMICEJA-UHFFFAOYSA-N 2 2 369.491 0.060 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CN1CC[NH+]1CCOCC1 ZINC001120496196 848220682 /nfs/dbraw/zinc/22/06/82/848220682.db2.gz XPWVSHOQZFJDMR-SJORKVTESA-N 2 2 367.877 0.896 20 0 FCADLP CS(=O)(=O)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001121267469 848331129 /nfs/dbraw/zinc/33/11/29/848331129.db2.gz NRILWQBPRHSHOO-FZOOGMQUSA-N 2 2 366.487 0.575 20 0 FCADLP CS(=O)(=O)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001121267469 848331135 /nfs/dbraw/zinc/33/11/35/848331135.db2.gz NRILWQBPRHSHOO-FZOOGMQUSA-N 2 2 366.487 0.575 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220487 848819464 /nfs/dbraw/zinc/81/94/64/848819464.db2.gz XJZPDKXFIVZEEA-KFWWJZLASA-N 2 2 352.458 0.710 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220487 848819472 /nfs/dbraw/zinc/81/94/72/848819472.db2.gz XJZPDKXFIVZEEA-KFWWJZLASA-N 2 2 352.458 0.710 20 0 FCADLP CCS(=O)(=O)CCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891266 848908461 /nfs/dbraw/zinc/90/84/61/848908461.db2.gz GRZLXUJEAOBGMM-ZIAGYGMSSA-N 2 2 356.492 0.824 20 0 FCADLP CCS(=O)(=O)CCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891266 848908469 /nfs/dbraw/zinc/90/84/69/848908469.db2.gz GRZLXUJEAOBGMM-ZIAGYGMSSA-N 2 2 356.492 0.824 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(-c3ccsc3)no2)O1 ZINC001130184387 848963620 /nfs/dbraw/zinc/96/36/20/848963620.db2.gz OFFDMXGFOOTAJQ-DGCLKSJQSA-N 2 2 365.459 0.723 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(-c3ccsc3)no2)O1 ZINC001130184387 848963625 /nfs/dbraw/zinc/96/36/25/848963625.db2.gz OFFDMXGFOOTAJQ-DGCLKSJQSA-N 2 2 365.459 0.723 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772664 849039942 /nfs/dbraw/zinc/03/99/42/849039942.db2.gz WYRPZKDNAFTARH-BFHYXJOUSA-N 2 2 350.467 0.735 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001130772664 849039945 /nfs/dbraw/zinc/03/99/45/849039945.db2.gz WYRPZKDNAFTARH-BFHYXJOUSA-N 2 2 350.467 0.735 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]C/C=C\Cl ZINC001130945825 849062801 /nfs/dbraw/zinc/06/28/01/849062801.db2.gz CWEFIROUZKKQDO-MDPBFPLISA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]C/C=C\Cl ZINC001130945825 849062812 /nfs/dbraw/zinc/06/28/12/849062812.db2.gz CWEFIROUZKKQDO-MDPBFPLISA-N 2 2 367.881 0.387 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131510594 849116164 /nfs/dbraw/zinc/11/61/64/849116164.db2.gz RRALAHVMXNTYAO-AEFFLSMTSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131510594 849116169 /nfs/dbraw/zinc/11/61/69/849116169.db2.gz RRALAHVMXNTYAO-AEFFLSMTSA-N 2 2 350.463 0.710 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131595384 849128593 /nfs/dbraw/zinc/12/85/93/849128593.db2.gz WLOLAVCUDIDQDS-AEFFLSMTSA-N 2 2 350.463 0.331 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001131599855 849128609 /nfs/dbraw/zinc/12/86/09/849128609.db2.gz OCEJVLSLMQESLL-QAPCUYQASA-N 2 2 350.463 0.893 20 0 FCADLP CCCCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613548 849131220 /nfs/dbraw/zinc/13/12/20/849131220.db2.gz FMGLBYBMSCTHPS-SJORKVTESA-N 2 2 357.495 0.389 20 0 FCADLP O=C(NCC[NH2+]CCc1ccns1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613632 849131243 /nfs/dbraw/zinc/13/12/43/849131243.db2.gz INRZSUAEPCEJRZ-ZBFHGGJFSA-N 2 2 368.503 0.271 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001134043142 849171376 /nfs/dbraw/zinc/17/13/76/849171376.db2.gz UVRDBTCLXZJNTD-IJLUTSLNSA-N 2 2 364.368 0.169 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cnc(N3CCOCC3)s2)CCC1=O ZINC001139045985 849326469 /nfs/dbraw/zinc/32/64/69/849326469.db2.gz VNQAPSHZVKOWIM-UHFFFAOYSA-N 2 2 367.519 0.576 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cnc(N3CCOCC3)s2)CCC1=O ZINC001139045985 849326478 /nfs/dbraw/zinc/32/64/78/849326478.db2.gz VNQAPSHZVKOWIM-UHFFFAOYSA-N 2 2 367.519 0.576 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)s2)CC1 ZINC001139324923 849337868 /nfs/dbraw/zinc/33/78/68/849337868.db2.gz UORIVFPJHAQAMK-OAHLLOKOSA-N 2 2 351.520 0.801 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)s2)CC1 ZINC001139324923 849337877 /nfs/dbraw/zinc/33/78/77/849337877.db2.gz UORIVFPJHAQAMK-OAHLLOKOSA-N 2 2 351.520 0.801 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cscn3)CC2)C1=O ZINC001147365738 849580283 /nfs/dbraw/zinc/58/02/83/849580283.db2.gz YYCYPNZBPLTOQE-UHFFFAOYSA-N 2 2 365.503 0.454 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cscn3)CC2)C1=O ZINC001147365738 849580289 /nfs/dbraw/zinc/58/02/89/849580289.db2.gz YYCYPNZBPLTOQE-UHFFFAOYSA-N 2 2 365.503 0.454 20 0 FCADLP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O)OC ZINC001277732703 862044318 /nfs/dbraw/zinc/04/43/18/862044318.db2.gz HRLFUYWEKWIXSW-QGZVFWFLSA-N 2 2 350.419 0.678 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](CCCO)CC1 ZINC001151162220 849680269 /nfs/dbraw/zinc/68/02/69/849680269.db2.gz VFZYCZDOIUMJGP-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](CCCO)CC1 ZINC001151162220 849680274 /nfs/dbraw/zinc/68/02/74/849680274.db2.gz VFZYCZDOIUMJGP-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2nc3c(s2)C[N@H+](C)CC3)O1 ZINC001154223157 849783617 /nfs/dbraw/zinc/78/36/17/849783617.db2.gz OWOMNYVCXAGCIM-XHBSWPGZSA-N 2 2 354.476 0.586 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2nc3c(s2)C[N@@H+](C)CC3)O1 ZINC001154223157 849783623 /nfs/dbraw/zinc/78/36/23/849783623.db2.gz OWOMNYVCXAGCIM-XHBSWPGZSA-N 2 2 354.476 0.586 20 0 FCADLP COC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090145 850018118 /nfs/dbraw/zinc/01/81/18/850018118.db2.gz KNBRZWFQAZHFKV-QKPAOTATSA-N 2 2 350.463 0.833 20 0 FCADLP COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090145 850018119 /nfs/dbraw/zinc/01/81/19/850018119.db2.gz KNBRZWFQAZHFKV-QKPAOTATSA-N 2 2 350.463 0.833 20 0 FCADLP COC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090145 850018122 /nfs/dbraw/zinc/01/81/22/850018122.db2.gz KNBRZWFQAZHFKV-QKPAOTATSA-N 2 2 350.463 0.833 20 0 FCADLP COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090145 850018126 /nfs/dbraw/zinc/01/81/26/850018126.db2.gz KNBRZWFQAZHFKV-QKPAOTATSA-N 2 2 350.463 0.833 20 0 FCADLP CCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124161 850019811 /nfs/dbraw/zinc/01/98/11/850019811.db2.gz JZPNKOUQNBKZNM-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124161 850019817 /nfs/dbraw/zinc/01/98/17/850019817.db2.gz JZPNKOUQNBKZNM-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124161 850019825 /nfs/dbraw/zinc/01/98/25/850019825.db2.gz JZPNKOUQNBKZNM-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124161 850019833 /nfs/dbraw/zinc/01/98/33/850019833.db2.gz JZPNKOUQNBKZNM-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258761 850029557 /nfs/dbraw/zinc/02/95/57/850029557.db2.gz IQYSAZFLFUHEEO-LLVKDONJSA-N 2 2 366.491 0.772 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258761 850029562 /nfs/dbraw/zinc/02/95/62/850029562.db2.gz IQYSAZFLFUHEEO-LLVKDONJSA-N 2 2 366.491 0.772 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001158250417 850029719 /nfs/dbraw/zinc/02/97/19/850029719.db2.gz ZTSKFASNDZRUCL-HUUCEWRRSA-N 2 2 368.503 0.294 20 0 FCADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001158642929 850063816 /nfs/dbraw/zinc/06/38/16/850063816.db2.gz QOYRUVHJARBFKT-GUYCJALGSA-N 2 2 363.487 0.761 20 0 FCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159029913 850093008 /nfs/dbraw/zinc/09/30/08/850093008.db2.gz MXTPBAXIPVJXFW-INIZCTEOSA-N 3 2 350.463 0.539 20 0 FCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159029913 850093019 /nfs/dbraw/zinc/09/30/19/850093019.db2.gz MXTPBAXIPVJXFW-INIZCTEOSA-N 3 2 350.463 0.539 20 0 FCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159192831 850100946 /nfs/dbraw/zinc/10/09/46/850100946.db2.gz XKJSIMCIRCWKQP-YPPWHJBPSA-N 2 2 368.503 0.364 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326610 850165786 /nfs/dbraw/zinc/16/57/86/850165786.db2.gz OHGLUGQJRZXEIF-BFHYXJOUSA-N 2 2 354.476 0.434 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326610 850165788 /nfs/dbraw/zinc/16/57/88/850165788.db2.gz OHGLUGQJRZXEIF-BFHYXJOUSA-N 2 2 354.476 0.434 20 0 FCADLP CS(=O)(=O)CC1(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160325617 850165981 /nfs/dbraw/zinc/16/59/81/850165981.db2.gz BTZLNKJJSJSAQL-CHWSQXEVSA-N 2 2 354.476 0.434 20 0 FCADLP CS(=O)(=O)CC1(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160325617 850165988 /nfs/dbraw/zinc/16/59/88/850165988.db2.gz BTZLNKJJSJSAQL-CHWSQXEVSA-N 2 2 354.476 0.434 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)C2 ZINC001160381902 850168674 /nfs/dbraw/zinc/16/86/74/850168674.db2.gz HIMYSVBJCBXJJQ-KBPBESRZSA-N 2 2 352.458 0.941 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1)C2 ZINC001160381902 850168677 /nfs/dbraw/zinc/16/86/77/850168677.db2.gz HIMYSVBJCBXJJQ-KBPBESRZSA-N 2 2 352.458 0.941 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CC[NH2+]C[C@@H]1F)C2 ZINC001160381108 850168762 /nfs/dbraw/zinc/16/87/62/850168762.db2.gz QKMFXZCBKLPZOH-KGLIPLIRSA-N 2 2 352.458 0.798 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CC[NH2+]C[C@@H]1F)C2 ZINC001160381108 850168770 /nfs/dbraw/zinc/16/87/70/850168770.db2.gz QKMFXZCBKLPZOH-KGLIPLIRSA-N 2 2 352.458 0.798 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611194 850185836 /nfs/dbraw/zinc/18/58/36/850185836.db2.gz SHAPDEWARBWEPJ-CVEARBPZSA-N 2 2 362.455 0.365 20 0 FCADLP Nc1ccc(Br)c2c1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160846827 850203216 /nfs/dbraw/zinc/20/32/16/850203216.db2.gz OTDFVIGOEJBAJM-MGPLVRAMSA-N 2 2 365.275 0.868 20 0 FCADLP Nc1ccc(Br)c2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001160845746 850203316 /nfs/dbraw/zinc/20/33/16/850203316.db2.gz HATHLOJJDGKIAD-ULKVUYOBSA-N 2 2 365.275 0.866 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160845761 850203399 /nfs/dbraw/zinc/20/33/99/850203399.db2.gz HRBJHKSHAGXQQY-AWEZNQCLSA-N 2 2 366.487 0.530 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160845761 850203410 /nfs/dbraw/zinc/20/34/10/850203410.db2.gz HRBJHKSHAGXQQY-AWEZNQCLSA-N 2 2 366.487 0.530 20 0 FCADLP CC(C)Cc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)no1 ZINC001160857574 850207866 /nfs/dbraw/zinc/20/78/66/850207866.db2.gz LFPLXVNDWNWWMD-ZIAGYGMSSA-N 2 2 353.467 0.583 20 0 FCADLP CC(C)Cc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)no1 ZINC001160857574 850207881 /nfs/dbraw/zinc/20/78/81/850207881.db2.gz LFPLXVNDWNWWMD-ZIAGYGMSSA-N 2 2 353.467 0.583 20 0 FCADLP CC(C)Cc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160862382 850209040 /nfs/dbraw/zinc/20/90/40/850209040.db2.gz OUCPMMZGTCWTRS-ZIAGYGMSSA-N 2 2 353.467 0.583 20 0 FCADLP CC(C)Cc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160862382 850209050 /nfs/dbraw/zinc/20/90/50/850209050.db2.gz OUCPMMZGTCWTRS-ZIAGYGMSSA-N 2 2 353.467 0.583 20 0 FCADLP CCCCc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)no1 ZINC001160862886 850210326 /nfs/dbraw/zinc/21/03/26/850210326.db2.gz ZUGVKWIYJHOKIU-ZIAGYGMSSA-N 2 2 353.467 0.727 20 0 FCADLP CCCCc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)no1 ZINC001160862886 850210337 /nfs/dbraw/zinc/21/03/37/850210337.db2.gz ZUGVKWIYJHOKIU-ZIAGYGMSSA-N 2 2 353.467 0.727 20 0 FCADLP CCN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc1ccccc1)C1C[NH+](C)C1 ZINC001161137758 850232664 /nfs/dbraw/zinc/23/26/64/850232664.db2.gz GTUIXGBVHKEMLA-MRXNPFEDSA-N 2 2 364.515 0.526 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)C1 ZINC001161138592 850232865 /nfs/dbraw/zinc/23/28/65/850232865.db2.gz WQKNBTQDNKUGHS-ZQIUZPCESA-N 2 2 366.487 0.315 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2C(F)(F)F)C1 ZINC001161138384 850233190 /nfs/dbraw/zinc/23/31/90/850233190.db2.gz TXJWCBTXQRHNQR-WFASDCNBSA-N 2 2 359.348 0.678 20 0 FCADLP O=C([C@@H]1CSC[NH2+]1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196317 850238794 /nfs/dbraw/zinc/23/87/94/850238794.db2.gz CNLKZAYBAGGOCV-INIZCTEOSA-N 3 2 356.536 0.199 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)C3([NH3+])CCC4(CC3)OCCO4)C2)CC1 ZINC001161377050 850256165 /nfs/dbraw/zinc/25/61/65/850256165.db2.gz DYQUBFAEVMTAGZ-HNNXBMFYSA-N 3 2 352.479 0.025 20 0 FCADLP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376751 850256236 /nfs/dbraw/zinc/25/62/36/850256236.db2.gz CUEZOXHEGSBPKI-CABCVRRESA-N 3 2 354.495 0.330 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836893 862124396 /nfs/dbraw/zinc/12/43/96/862124396.db2.gz RKXWVVVUZRZLRU-MJGOQNOKSA-N 2 2 355.523 0.896 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836893 862124400 /nfs/dbraw/zinc/12/44/00/862124400.db2.gz RKXWVVVUZRZLRU-MJGOQNOKSA-N 2 2 355.523 0.896 20 0 FCADLP C[C@H](C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CS(C)(=O)=O ZINC001166968083 850516828 /nfs/dbraw/zinc/51/68/28/850516828.db2.gz LPCOTDBBKOXHFH-MGPQQGTHSA-N 2 2 356.492 0.300 20 0 FCADLP COC(=O)C[C@@H](C)c1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071263 850604000 /nfs/dbraw/zinc/60/40/00/850604000.db2.gz JFLSDRLMNJCOAA-NXEZZACHSA-N 2 2 353.810 0.844 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001169132119 850606785 /nfs/dbraw/zinc/60/67/85/850606785.db2.gz FQIGSAZUVUUYJK-CJNGLKHVSA-N 2 2 367.471 0.528 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2C[C@H]2[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170025107 850643822 /nfs/dbraw/zinc/64/38/22/850643822.db2.gz GIVGIVGYDCAURD-LPWJVIDDSA-N 2 2 356.492 0.587 20 0 FCADLP [NH3+]CCOCCOCCNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001170513337 850656021 /nfs/dbraw/zinc/65/60/21/850656021.db2.gz IZRFPSJMLSAKQC-UHFFFAOYSA-N 2 2 354.451 0.196 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C1C[C@@H]3COC[C@H](C1)[NH+]3C)CC2 ZINC001172136769 850705502 /nfs/dbraw/zinc/70/55/02/850705502.db2.gz MZRIYIUIKRKRAG-ALOPSCKCSA-N 2 2 350.507 0.524 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C1C[C@@H]3COC[C@H](C1)[NH+]3C)CC2 ZINC001172136769 850705507 /nfs/dbraw/zinc/70/55/07/850705507.db2.gz MZRIYIUIKRKRAG-ALOPSCKCSA-N 2 2 350.507 0.524 20 0 FCADLP CNC(=O)C[NH+]1CCCC12CCN(C1C[C@@H]3COC[C@H](C1)[N@@H+]3C)CC2 ZINC001172136769 850705514 /nfs/dbraw/zinc/70/55/14/850705514.db2.gz MZRIYIUIKRKRAG-ALOPSCKCSA-N 2 2 350.507 0.524 20 0 FCADLP CNC(=O)C[NH+]1CCCC12CCN(C1C[C@@H]3COC[C@H](C1)[N@H+]3C)CC2 ZINC001172136769 850705521 /nfs/dbraw/zinc/70/55/21/850705521.db2.gz MZRIYIUIKRKRAG-ALOPSCKCSA-N 2 2 350.507 0.524 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCC[NH2+]CCS(C)(=O)=O ZINC001179629916 850991861 /nfs/dbraw/zinc/99/18/61/850991861.db2.gz FBZWWNBSIRUWMV-HUUCEWRRSA-N 2 2 370.519 0.834 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[C@]3(F)Cl)CC2)C1=O ZINC001181657813 851126145 /nfs/dbraw/zinc/12/61/45/851126145.db2.gz CRYXGULJBHBEJX-CXAGYDPISA-N 2 2 374.888 0.608 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[C@]3(F)Cl)CC2)C1=O ZINC001181657813 851126153 /nfs/dbraw/zinc/12/61/53/851126153.db2.gz CRYXGULJBHBEJX-CXAGYDPISA-N 2 2 374.888 0.608 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001181992394 851144630 /nfs/dbraw/zinc/14/46/30/851144630.db2.gz CDWIQVVISZWWTF-CQSZACIVSA-N 2 2 370.475 0.483 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001181992394 851144639 /nfs/dbraw/zinc/14/46/39/851144639.db2.gz CDWIQVVISZWWTF-CQSZACIVSA-N 2 2 370.475 0.483 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001181992393 851144889 /nfs/dbraw/zinc/14/48/89/851144889.db2.gz CDWIQVVISZWWTF-AWEZNQCLSA-N 2 2 370.475 0.483 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001181992393 851144896 /nfs/dbraw/zinc/14/48/96/851144896.db2.gz CDWIQVVISZWWTF-AWEZNQCLSA-N 2 2 370.475 0.483 20 0 FCADLP CSC[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183216170 851233524 /nfs/dbraw/zinc/23/35/24/851233524.db2.gz LQOJJXWXNJRYHQ-HNNXBMFYSA-N 2 2 370.563 0.682 20 0 FCADLP CSC[C@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183216170 851233534 /nfs/dbraw/zinc/23/35/34/851233534.db2.gz LQOJJXWXNJRYHQ-HNNXBMFYSA-N 2 2 370.563 0.682 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305297 851542993 /nfs/dbraw/zinc/54/29/93/851542993.db2.gz UZLJQHNVFUGSTO-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305297 851543001 /nfs/dbraw/zinc/54/30/01/851543001.db2.gz UZLJQHNVFUGSTO-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305297 851543011 /nfs/dbraw/zinc/54/30/11/851543011.db2.gz UZLJQHNVFUGSTO-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305297 851543018 /nfs/dbraw/zinc/54/30/18/851543018.db2.gz UZLJQHNVFUGSTO-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188106897 851645410 /nfs/dbraw/zinc/64/54/10/851645410.db2.gz BQLWLVBYOLHCIY-ARFHVFGLSA-N 2 2 356.486 0.725 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818445 851729374 /nfs/dbraw/zinc/72/93/74/851729374.db2.gz FXBCWEKZZVFRAL-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818445 851729379 /nfs/dbraw/zinc/72/93/79/851729379.db2.gz FXBCWEKZZVFRAL-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818445 851729384 /nfs/dbraw/zinc/72/93/84/851729384.db2.gz FXBCWEKZZVFRAL-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818445 851729387 /nfs/dbraw/zinc/72/93/87/851729387.db2.gz FXBCWEKZZVFRAL-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246912 851768718 /nfs/dbraw/zinc/76/87/18/851768718.db2.gz XCUJWPLVWZBEQR-BHYGNILZSA-N 2 2 350.463 0.518 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246912 851768726 /nfs/dbraw/zinc/76/87/26/851768726.db2.gz XCUJWPLVWZBEQR-BHYGNILZSA-N 2 2 350.463 0.518 20 0 FCADLP COCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001278276299 862288064 /nfs/dbraw/zinc/28/80/64/862288064.db2.gz HOZRTHAVVQJOLH-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001278276299 862288079 /nfs/dbraw/zinc/28/80/79/862288079.db2.gz HOZRTHAVVQJOLH-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213049 851876963 /nfs/dbraw/zinc/87/69/63/851876963.db2.gz SSXMYXBPVXCWLS-DLBZAZTESA-N 2 2 371.547 0.830 20 0 FCADLP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213049 851876968 /nfs/dbraw/zinc/87/69/68/851876968.db2.gz SSXMYXBPVXCWLS-DLBZAZTESA-N 2 2 371.547 0.830 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190323731 851892045 /nfs/dbraw/zinc/89/20/45/851892045.db2.gz CWHJBSKHYUZFSW-JKSUJKDBSA-N 2 2 357.520 0.440 20 0 FCADLP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190323731 851892046 /nfs/dbraw/zinc/89/20/46/851892046.db2.gz CWHJBSKHYUZFSW-JKSUJKDBSA-N 2 2 357.520 0.440 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001193447090 852428883 /nfs/dbraw/zinc/42/88/83/852428883.db2.gz JADWVJCNOQNESC-RRFJBIMHSA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001193447090 852428889 /nfs/dbraw/zinc/42/88/89/852428889.db2.gz JADWVJCNOQNESC-RRFJBIMHSA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001193447181 852429037 /nfs/dbraw/zinc/42/90/37/852429037.db2.gz LYVZAHMDCVQPLU-MGPQQGTHSA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001193447181 852429041 /nfs/dbraw/zinc/42/90/41/852429041.db2.gz LYVZAHMDCVQPLU-MGPQQGTHSA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001193447180 852429344 /nfs/dbraw/zinc/42/93/44/852429344.db2.gz LYVZAHMDCVQPLU-BFHYXJOUSA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001193447180 852429346 /nfs/dbraw/zinc/42/93/46/852429346.db2.gz LYVZAHMDCVQPLU-BFHYXJOUSA-N 2 2 358.483 0.793 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)[NH+](C)C ZINC001193961742 852517164 /nfs/dbraw/zinc/51/71/64/852517164.db2.gz XFIORGSOQOSREZ-KFWWJZLASA-N 2 2 357.886 0.284 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)[NH+](C)C ZINC001193961742 852517172 /nfs/dbraw/zinc/51/71/72/852517172.db2.gz XFIORGSOQOSREZ-KFWWJZLASA-N 2 2 357.886 0.284 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)o1 ZINC001194086794 852535804 /nfs/dbraw/zinc/53/58/04/852535804.db2.gz WNSDCVUCJJDCQL-RBSFLKMASA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)o1 ZINC001194086794 852535809 /nfs/dbraw/zinc/53/58/09/852535809.db2.gz WNSDCVUCJJDCQL-RBSFLKMASA-N 2 2 352.479 0.937 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399738 852592726 /nfs/dbraw/zinc/59/27/26/852592726.db2.gz RWGFWDUJFXPORA-JHJVBQTASA-N 2 2 365.396 0.089 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399738 852592730 /nfs/dbraw/zinc/59/27/30/852592730.db2.gz RWGFWDUJFXPORA-JHJVBQTASA-N 2 2 365.396 0.089 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCC1 ZINC001194909484 852671093 /nfs/dbraw/zinc/67/10/93/852671093.db2.gz OZRYKTSJCHVXSV-OAGGEKHMSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCC1 ZINC001194909484 852671103 /nfs/dbraw/zinc/67/11/03/852671103.db2.gz OZRYKTSJCHVXSV-OAGGEKHMSA-N 2 2 350.463 0.329 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)N(C)CC3CC3)CC2)CC[N@@H+]1C ZINC001195894098 852843127 /nfs/dbraw/zinc/84/31/27/852843127.db2.gz QWRCGFKWAISAPE-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)N(C)CC3CC3)CC2)CC[N@H+]1C ZINC001195894098 852843137 /nfs/dbraw/zinc/84/31/37/852843137.db2.gz QWRCGFKWAISAPE-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)N(C)CC3CC3)CC2)CC[NH+]1C ZINC001195894098 852843144 /nfs/dbraw/zinc/84/31/44/852843144.db2.gz QWRCGFKWAISAPE-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)N(C)CC3CC3)CC2)CC[NH+]1C ZINC001195894098 852843156 /nfs/dbraw/zinc/84/31/56/852843156.db2.gz QWRCGFKWAISAPE-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196128920 852895855 /nfs/dbraw/zinc/89/58/55/852895855.db2.gz GQAGPGBPLDCULO-MGPQQGTHSA-N 2 2 369.428 0.847 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196128920 852895860 /nfs/dbraw/zinc/89/58/60/852895860.db2.gz GQAGPGBPLDCULO-MGPQQGTHSA-N 2 2 369.428 0.847 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001196269290 852929734 /nfs/dbraw/zinc/92/97/34/852929734.db2.gz SBBFHASOBDLERN-MGPQQGTHSA-N 2 2 367.412 0.553 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001196269290 852929739 /nfs/dbraw/zinc/92/97/39/852929739.db2.gz SBBFHASOBDLERN-MGPQQGTHSA-N 2 2 367.412 0.553 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001196269290 852929743 /nfs/dbraw/zinc/92/97/43/852929743.db2.gz SBBFHASOBDLERN-MGPQQGTHSA-N 2 2 367.412 0.553 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](C[C@H](O)CC(F)(F)F)CC2)O1 ZINC001196269290 852929749 /nfs/dbraw/zinc/92/97/49/852929749.db2.gz SBBFHASOBDLERN-MGPQQGTHSA-N 2 2 367.412 0.553 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919460 853030440 /nfs/dbraw/zinc/03/04/40/853030440.db2.gz MCHQNPZZPUCPIX-IAGOWNOFSA-N 2 2 352.479 0.950 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919460 853030451 /nfs/dbraw/zinc/03/04/51/853030451.db2.gz MCHQNPZZPUCPIX-IAGOWNOFSA-N 2 2 352.479 0.950 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198021296 853206997 /nfs/dbraw/zinc/20/69/97/853206997.db2.gz WONIAKOZXLUYDG-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198021296 853207004 /nfs/dbraw/zinc/20/70/04/853207004.db2.gz WONIAKOZXLUYDG-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198021296 853207014 /nfs/dbraw/zinc/20/70/14/853207014.db2.gz WONIAKOZXLUYDG-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198021296 853207017 /nfs/dbraw/zinc/20/70/17/853207017.db2.gz WONIAKOZXLUYDG-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023929 853356219 /nfs/dbraw/zinc/35/62/19/853356219.db2.gz UXRUDOFTJLNJCB-IAGOWNOFSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023929 853356225 /nfs/dbraw/zinc/35/62/25/853356225.db2.gz UXRUDOFTJLNJCB-IAGOWNOFSA-N 2 2 350.463 0.829 20 0 FCADLP CC[N@H+]1CCO[C@@H]2CN(C(=S)NCCC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001199942604 853464630 /nfs/dbraw/zinc/46/46/30/853464630.db2.gz PJOLGVQDQGMDHE-JKSUJKDBSA-N 2 2 356.536 0.236 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC001202551750 853568281 /nfs/dbraw/zinc/56/82/81/853568281.db2.gz DKYIELOZATWZEA-HUUCEWRRSA-N 2 2 368.503 0.539 20 0 FCADLP CS(=O)(=O)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487365 853615279 /nfs/dbraw/zinc/61/52/79/853615279.db2.gz CHHXKIXSQWJKHQ-ZIAGYGMSSA-N 2 2 354.476 0.386 20 0 FCADLP CS(=O)(=O)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487365 853615284 /nfs/dbraw/zinc/61/52/84/853615284.db2.gz CHHXKIXSQWJKHQ-ZIAGYGMSSA-N 2 2 354.476 0.386 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437472 853812961 /nfs/dbraw/zinc/81/29/61/853812961.db2.gz APCTWLDBBFYLGS-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437472 853812970 /nfs/dbraw/zinc/81/29/70/853812970.db2.gz APCTWLDBBFYLGS-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207437472 853812976 /nfs/dbraw/zinc/81/29/76/853812976.db2.gz APCTWLDBBFYLGS-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207437472 853812982 /nfs/dbraw/zinc/81/29/82/853812982.db2.gz APCTWLDBBFYLGS-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540793 853822414 /nfs/dbraw/zinc/82/24/14/853822414.db2.gz FBUJGUKXLSJMMZ-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540793 853822418 /nfs/dbraw/zinc/82/24/18/853822418.db2.gz FBUJGUKXLSJMMZ-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540793 853822419 /nfs/dbraw/zinc/82/24/19/853822419.db2.gz FBUJGUKXLSJMMZ-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540793 853822422 /nfs/dbraw/zinc/82/24/22/853822422.db2.gz FBUJGUKXLSJMMZ-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567962 853827124 /nfs/dbraw/zinc/82/71/24/853827124.db2.gz IFSZSCHETLXPJG-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567962 853827129 /nfs/dbraw/zinc/82/71/29/853827129.db2.gz IFSZSCHETLXPJG-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567962 853827134 /nfs/dbraw/zinc/82/71/34/853827134.db2.gz IFSZSCHETLXPJG-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567962 853827139 /nfs/dbraw/zinc/82/71/39/853827139.db2.gz IFSZSCHETLXPJG-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686509 853840688 /nfs/dbraw/zinc/84/06/88/853840688.db2.gz DBPVGPUXDDCWIN-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686509 853840691 /nfs/dbraw/zinc/84/06/91/853840691.db2.gz DBPVGPUXDDCWIN-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207686509 853840694 /nfs/dbraw/zinc/84/06/94/853840694.db2.gz DBPVGPUXDDCWIN-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207686509 853840697 /nfs/dbraw/zinc/84/06/97/853840697.db2.gz DBPVGPUXDDCWIN-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686906 853842272 /nfs/dbraw/zinc/84/22/72/853842272.db2.gz RSGXQWKLVYENAW-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686906 853842277 /nfs/dbraw/zinc/84/22/77/853842277.db2.gz RSGXQWKLVYENAW-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001207686906 853842282 /nfs/dbraw/zinc/84/22/82/853842282.db2.gz RSGXQWKLVYENAW-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001207686906 853842287 /nfs/dbraw/zinc/84/22/87/853842287.db2.gz RSGXQWKLVYENAW-KBUPBQIOSA-N 2 2 354.495 0.057 20 0 FCADLP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001207703298 853843170 /nfs/dbraw/zinc/84/31/70/853843170.db2.gz WQPKERXMRLIXHO-IAQYHMDHSA-N 2 2 365.459 0.162 20 0 FCADLP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001207703298 853843178 /nfs/dbraw/zinc/84/31/78/853843178.db2.gz WQPKERXMRLIXHO-IAQYHMDHSA-N 2 2 365.459 0.162 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207923374 853874953 /nfs/dbraw/zinc/87/49/53/853874953.db2.gz MYXHQJPUVIGMGV-LBPRGKRZSA-N 2 2 352.435 0.476 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](C[C@H]1COC(C)(C)O1)CC2 ZINC001207923374 853874960 /nfs/dbraw/zinc/87/49/60/853874960.db2.gz MYXHQJPUVIGMGV-LBPRGKRZSA-N 2 2 352.435 0.476 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247395 853905927 /nfs/dbraw/zinc/90/59/27/853905927.db2.gz FDUNBXASQYXUSM-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247395 853905933 /nfs/dbraw/zinc/90/59/33/853905933.db2.gz FDUNBXASQYXUSM-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485935 853940817 /nfs/dbraw/zinc/94/08/17/853940817.db2.gz WZINPSXTNPZYHL-GDBMZVCRSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485935 853940819 /nfs/dbraw/zinc/94/08/19/853940819.db2.gz WZINPSXTNPZYHL-GDBMZVCRSA-N 2 2 359.536 0.590 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC001209013061 853988653 /nfs/dbraw/zinc/98/86/53/853988653.db2.gz NGADQYHYYLEACB-INIZCTEOSA-N 3 2 360.568 0.758 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC001209013061 853988662 /nfs/dbraw/zinc/98/86/62/853988662.db2.gz NGADQYHYYLEACB-INIZCTEOSA-N 3 2 360.568 0.758 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)sn1 ZINC001210314904 854099798 /nfs/dbraw/zinc/09/97/98/854099798.db2.gz GCKCAXFKICQEJI-TZMCWYRMSA-N 2 2 356.492 0.666 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)sn1 ZINC001210314904 854099804 /nfs/dbraw/zinc/09/98/04/854099804.db2.gz GCKCAXFKICQEJI-TZMCWYRMSA-N 2 2 356.492 0.666 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210529653 854116575 /nfs/dbraw/zinc/11/65/75/854116575.db2.gz YZOZBJNBSHPAML-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210529653 854116577 /nfs/dbraw/zinc/11/65/77/854116577.db2.gz YZOZBJNBSHPAML-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210529653 854116579 /nfs/dbraw/zinc/11/65/79/854116579.db2.gz YZOZBJNBSHPAML-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210529653 854116581 /nfs/dbraw/zinc/11/65/81/854116581.db2.gz YZOZBJNBSHPAML-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538556 854117261 /nfs/dbraw/zinc/11/72/61/854117261.db2.gz FGJIZBRYSBYBOH-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538556 854117254 /nfs/dbraw/zinc/11/72/54/854117254.db2.gz FGJIZBRYSBYBOH-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538556 854117257 /nfs/dbraw/zinc/11/72/57/854117257.db2.gz FGJIZBRYSBYBOH-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210538556 854117264 /nfs/dbraw/zinc/11/72/64/854117264.db2.gz FGJIZBRYSBYBOH-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436867 854477711 /nfs/dbraw/zinc/47/77/11/854477711.db2.gz NXWZCLBYWVLMKS-INMHGKMJSA-N 2 2 356.511 0.256 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436867 854477717 /nfs/dbraw/zinc/47/77/17/854477717.db2.gz NXWZCLBYWVLMKS-INMHGKMJSA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436927 854478101 /nfs/dbraw/zinc/47/81/01/854478101.db2.gz RGKXYVNTNZIQNP-FMKPAKJESA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436927 854478103 /nfs/dbraw/zinc/47/81/03/854478103.db2.gz RGKXYVNTNZIQNP-FMKPAKJESA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213166074 854519993 /nfs/dbraw/zinc/51/99/93/854519993.db2.gz FXZVBQGLXOJSEP-YNEHKIRRSA-N 2 2 364.368 0.320 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213166074 854520000 /nfs/dbraw/zinc/52/00/00/854520000.db2.gz FXZVBQGLXOJSEP-YNEHKIRRSA-N 2 2 364.368 0.320 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346459 854583649 /nfs/dbraw/zinc/58/36/49/854583649.db2.gz NQNUSLUMRFQULI-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346459 854583656 /nfs/dbraw/zinc/58/36/56/854583656.db2.gz NQNUSLUMRFQULI-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348715 854584701 /nfs/dbraw/zinc/58/47/01/854584701.db2.gz SNXTUCASYVOFNK-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348715 854584707 /nfs/dbraw/zinc/58/47/07/854584707.db2.gz SNXTUCASYVOFNK-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374509 854592420 /nfs/dbraw/zinc/59/24/20/854592420.db2.gz JMWFQKPVIDAJPB-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374509 854592428 /nfs/dbraw/zinc/59/24/28/854592428.db2.gz JMWFQKPVIDAJPB-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377026 854593430 /nfs/dbraw/zinc/59/34/30/854593430.db2.gz USGNLAKVGXCDBL-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377026 854593436 /nfs/dbraw/zinc/59/34/36/854593436.db2.gz USGNLAKVGXCDBL-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376687 854593942 /nfs/dbraw/zinc/59/39/42/854593942.db2.gz BJJUNOQMLQFXRT-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376687 854593946 /nfs/dbraw/zinc/59/39/46/854593946.db2.gz BJJUNOQMLQFXRT-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434567 854614221 /nfs/dbraw/zinc/61/42/21/854614221.db2.gz HGYZJVDYBAHVGS-IXDOHACOSA-N 2 2 351.495 0.856 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434567 854614229 /nfs/dbraw/zinc/61/42/29/854614229.db2.gz HGYZJVDYBAHVGS-IXDOHACOSA-N 2 2 351.495 0.856 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001213440010 854616871 /nfs/dbraw/zinc/61/68/71/854616871.db2.gz FEUSBEBQQBEEPL-BFHYXJOUSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001213440010 854616873 /nfs/dbraw/zinc/61/68/73/854616873.db2.gz FEUSBEBQQBEEPL-BFHYXJOUSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001213440010 854616875 /nfs/dbraw/zinc/61/68/75/854616875.db2.gz FEUSBEBQQBEEPL-BFHYXJOUSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001213440010 854616876 /nfs/dbraw/zinc/61/68/76/854616876.db2.gz FEUSBEBQQBEEPL-BFHYXJOUSA-N 2 2 367.412 0.865 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213595108 854679599 /nfs/dbraw/zinc/67/95/99/854679599.db2.gz ZOCFPJCXKBFSPH-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213595108 854679601 /nfs/dbraw/zinc/67/96/01/854679601.db2.gz ZOCFPJCXKBFSPH-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213675870 854711475 /nfs/dbraw/zinc/71/14/75/854711475.db2.gz CZFYFQDOFDOECL-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213675870 854711477 /nfs/dbraw/zinc/71/14/77/854711477.db2.gz CZFYFQDOFDOECL-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213675870 854711480 /nfs/dbraw/zinc/71/14/80/854711480.db2.gz CZFYFQDOFDOECL-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213675870 854711481 /nfs/dbraw/zinc/71/14/81/854711481.db2.gz CZFYFQDOFDOECL-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213712990 854729892 /nfs/dbraw/zinc/72/98/92/854729892.db2.gz JQKQRUSFVKKUQJ-ARFHVFGLSA-N 2 2 356.511 0.578 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001213712990 854729896 /nfs/dbraw/zinc/72/98/96/854729896.db2.gz JQKQRUSFVKKUQJ-ARFHVFGLSA-N 2 2 356.511 0.578 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759302 854754944 /nfs/dbraw/zinc/75/49/44/854754944.db2.gz FXLQWTKURKYQGW-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759302 854754950 /nfs/dbraw/zinc/75/49/50/854754950.db2.gz FXLQWTKURKYQGW-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759302 854754958 /nfs/dbraw/zinc/75/49/58/854754958.db2.gz FXLQWTKURKYQGW-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801748 854773820 /nfs/dbraw/zinc/77/38/20/854773820.db2.gz BUNPRKIGDWTJQG-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801748 854773825 /nfs/dbraw/zinc/77/38/25/854773825.db2.gz BUNPRKIGDWTJQG-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929592 854830585 /nfs/dbraw/zinc/83/05/85/854830585.db2.gz CVEMMLKUWBUCPN-HUUCEWRRSA-N 2 2 357.886 0.692 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929592 854830590 /nfs/dbraw/zinc/83/05/90/854830590.db2.gz CVEMMLKUWBUCPN-HUUCEWRRSA-N 2 2 357.886 0.692 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929592 854830594 /nfs/dbraw/zinc/83/05/94/854830594.db2.gz CVEMMLKUWBUCPN-HUUCEWRRSA-N 2 2 357.886 0.692 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929592 854830598 /nfs/dbraw/zinc/83/05/98/854830598.db2.gz CVEMMLKUWBUCPN-HUUCEWRRSA-N 2 2 357.886 0.692 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001214530850 854964314 /nfs/dbraw/zinc/96/43/14/854964314.db2.gz HKPFNOVKANWSIC-GHMZBOCLSA-N 2 2 363.447 0.269 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]CCOCCO ZINC001214672122 854990177 /nfs/dbraw/zinc/99/01/77/854990177.db2.gz FRGDVBUFRRQJFV-GDBMZVCRSA-N 2 2 350.463 0.207 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988095 855048673 /nfs/dbraw/zinc/04/86/73/855048673.db2.gz IXIMJEZVWMSVDA-HLLBOEOZSA-N 2 2 350.463 0.545 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001216392933 855198687 /nfs/dbraw/zinc/19/86/87/855198687.db2.gz UGGHOLNBDMUMKO-HYVNUMGLSA-N 2 2 350.463 0.595 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C1 ZINC001216565917 855212956 /nfs/dbraw/zinc/21/29/56/855212956.db2.gz QECYRWGNEVZDPD-CZUORRHYSA-N 2 2 370.519 0.910 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)CS(C)(=O)=O ZINC001216630687 855219832 /nfs/dbraw/zinc/21/98/32/855219832.db2.gz NIEBIEDNWDOSSE-IIAWOOMASA-N 2 2 370.519 0.470 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803337 855248341 /nfs/dbraw/zinc/24/83/41/855248341.db2.gz VWDAUDFYOQGFBP-KBAYOESNSA-N 2 2 353.507 0.959 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216826403 855250899 /nfs/dbraw/zinc/25/08/99/855250899.db2.gz DXEWFTCTILCKDU-UKRRQHHQSA-N 2 2 364.515 0.679 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216826403 855250904 /nfs/dbraw/zinc/25/09/04/855250904.db2.gz DXEWFTCTILCKDU-UKRRQHHQSA-N 2 2 364.515 0.679 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216974407 855272746 /nfs/dbraw/zinc/27/27/46/855272746.db2.gz IYDFMJDJPVXNGX-HZPDHXFCSA-N 2 2 370.519 0.925 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001216993421 855274167 /nfs/dbraw/zinc/27/41/67/855274167.db2.gz DZAIOZHPALWRRD-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005702 855274991 /nfs/dbraw/zinc/27/49/91/855274991.db2.gz PDGMDNADJMICPJ-HZPDHXFCSA-N 2 2 370.519 0.925 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]21 ZINC001217550396 855346264 /nfs/dbraw/zinc/34/62/64/855346264.db2.gz YXYCEGCAXLGGAP-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]21 ZINC001217550396 855346267 /nfs/dbraw/zinc/34/62/67/855346267.db2.gz YXYCEGCAXLGGAP-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001217550396 855346270 /nfs/dbraw/zinc/34/62/70/855346270.db2.gz YXYCEGCAXLGGAP-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001217550396 855346273 /nfs/dbraw/zinc/34/62/73/855346273.db2.gz YXYCEGCAXLGGAP-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP CCC/C=C/CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590160 855351463 /nfs/dbraw/zinc/35/14/63/855351463.db2.gz FHIKLFXBJLZTOI-UWBQZYMWSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C/CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590160 855351464 /nfs/dbraw/zinc/35/14/64/855351464.db2.gz FHIKLFXBJLZTOI-UWBQZYMWSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590160 855351468 /nfs/dbraw/zinc/35/14/68/855351468.db2.gz FHIKLFXBJLZTOI-UWBQZYMWSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590160 855351474 /nfs/dbraw/zinc/35/14/74/855351474.db2.gz FHIKLFXBJLZTOI-UWBQZYMWSA-N 2 2 351.491 0.975 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncnn2c(Br)ccc12 ZINC001218566375 855440577 /nfs/dbraw/zinc/44/05/77/855440577.db2.gz HDJQWCANAVMDMD-UHFFFAOYSA-N 2 2 353.224 0.194 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218567452 855441354 /nfs/dbraw/zinc/44/13/54/855441354.db2.gz QXKKWGGDIDAZOS-QMMMGPOBSA-N 2 2 350.180 0.145 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630714 855454398 /nfs/dbraw/zinc/45/43/98/855454398.db2.gz MNGSHYXHAUNZBC-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630714 855454405 /nfs/dbraw/zinc/45/44/05/855454405.db2.gz MNGSHYXHAUNZBC-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630714 855454408 /nfs/dbraw/zinc/45/44/08/855454408.db2.gz MNGSHYXHAUNZBC-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630714 855454413 /nfs/dbraw/zinc/45/44/13/855454413.db2.gz MNGSHYXHAUNZBC-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001218648181 855457299 /nfs/dbraw/zinc/45/72/99/855457299.db2.gz RTYYUCPVCQIFJG-UWVGGRQHSA-N 2 2 370.841 0.221 20 0 FCADLP CSc1nc(Br)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n2ccnc12 ZINC001218687977 855464716 /nfs/dbraw/zinc/46/47/16/855464716.db2.gz DSNFIZPZKZMTGU-BQBZGAKWSA-N 2 2 371.264 0.699 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218814627 855481165 /nfs/dbraw/zinc/48/11/65/855481165.db2.gz SZNHGAIBHHQENC-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001218814627 855481167 /nfs/dbraw/zinc/48/11/67/855481167.db2.gz SZNHGAIBHHQENC-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001219453668 855677056 /nfs/dbraw/zinc/67/70/56/855677056.db2.gz MZWHQUVLXJTEES-CORIIIEPSA-N 2 2 355.385 0.972 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001219610022 855732513 /nfs/dbraw/zinc/73/25/13/855732513.db2.gz JSYWAKJIFYWHIG-IUODEOHRSA-N 2 2 359.348 0.858 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662158 855758620 /nfs/dbraw/zinc/75/86/20/855758620.db2.gz CDGXFTUVRQUABE-CVEARBPZSA-N 2 2 350.463 0.348 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662158 855758624 /nfs/dbraw/zinc/75/86/24/855758624.db2.gz CDGXFTUVRQUABE-CVEARBPZSA-N 2 2 350.463 0.348 20 0 FCADLP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001219694231 855774719 /nfs/dbraw/zinc/77/47/19/855774719.db2.gz HLQSQLXSACPBNZ-HOTGVXAUSA-N 2 2 353.488 0.703 20 0 FCADLP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001219694231 855774722 /nfs/dbraw/zinc/77/47/22/855774722.db2.gz HLQSQLXSACPBNZ-HOTGVXAUSA-N 2 2 353.488 0.703 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803681 855822114 /nfs/dbraw/zinc/82/21/14/855822114.db2.gz CYMPWOYUUTUJJU-IXDOHACOSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803681 855822125 /nfs/dbraw/zinc/82/21/25/855822125.db2.gz CYMPWOYUUTUJJU-IXDOHACOSA-N 2 2 350.463 0.547 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001219845809 855843669 /nfs/dbraw/zinc/84/36/69/855843669.db2.gz UGPZDOZVRYITGT-PMPSAXMXSA-N 2 2 354.520 0.742 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001219845809 855843672 /nfs/dbraw/zinc/84/36/72/855843672.db2.gz UGPZDOZVRYITGT-PMPSAXMXSA-N 2 2 354.520 0.742 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219877810 855857479 /nfs/dbraw/zinc/85/74/79/855857479.db2.gz RYCFOQVFSZDTJP-OLZOCXBDSA-N 2 2 367.412 0.459 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001219877810 855857482 /nfs/dbraw/zinc/85/74/82/855857482.db2.gz RYCFOQVFSZDTJP-OLZOCXBDSA-N 2 2 367.412 0.459 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC001219965603 855899370 /nfs/dbraw/zinc/89/93/70/855899370.db2.gz UHUVDCNDGCJDFK-XGUBFFRZSA-N 2 2 366.487 0.232 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCC([NH3+])CC1 ZINC001220039840 855929648 /nfs/dbraw/zinc/92/96/48/855929648.db2.gz VNHRWJZJUPYLQG-OFKYTCTHSA-N 3 2 351.451 0.378 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220185305 855997815 /nfs/dbraw/zinc/99/78/15/855997815.db2.gz FKWGNCBTTAKOAW-STQMWFEESA-N 2 2 353.417 0.495 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)o1 ZINC001220230526 856023804 /nfs/dbraw/zinc/02/38/04/856023804.db2.gz ISJRPNYBZCKCTB-KGLIPLIRSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)o1 ZINC001220230526 856023807 /nfs/dbraw/zinc/02/38/07/856023807.db2.gz ISJRPNYBZCKCTB-KGLIPLIRSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)o1 ZINC001220296939 856049939 /nfs/dbraw/zinc/04/99/39/856049939.db2.gz CDQFDAADVQFMNQ-JKIFEVAISA-N 2 2 352.479 0.793 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)o1 ZINC001220296939 856049947 /nfs/dbraw/zinc/04/99/47/856049947.db2.gz CDQFDAADVQFMNQ-JKIFEVAISA-N 2 2 352.479 0.793 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369763 856089555 /nfs/dbraw/zinc/08/95/55/856089555.db2.gz PUHLLATWWDYTRY-ILXRZTDVSA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369763 856089559 /nfs/dbraw/zinc/08/95/59/856089559.db2.gz PUHLLATWWDYTRY-ILXRZTDVSA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369763 856089566 /nfs/dbraw/zinc/08/95/66/856089566.db2.gz PUHLLATWWDYTRY-ILXRZTDVSA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369763 856089571 /nfs/dbraw/zinc/08/95/71/856089571.db2.gz PUHLLATWWDYTRY-ILXRZTDVSA-N 2 2 356.511 0.170 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001220380192 856097007 /nfs/dbraw/zinc/09/70/07/856097007.db2.gz SWWCDZHTZWKLLY-PMPSAXMXSA-N 2 2 351.495 0.640 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001220380192 856097012 /nfs/dbraw/zinc/09/70/12/856097012.db2.gz SWWCDZHTZWKLLY-PMPSAXMXSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382684 856098666 /nfs/dbraw/zinc/09/86/66/856098666.db2.gz JMSQVOIWNXWRGP-ANQUJSFKSA-N 2 2 350.463 0.358 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382684 856098674 /nfs/dbraw/zinc/09/86/74/856098674.db2.gz JMSQVOIWNXWRGP-ANQUJSFKSA-N 2 2 350.463 0.358 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568261 856188536 /nfs/dbraw/zinc/18/85/36/856188536.db2.gz DFJBAPIYACIHNK-XHSDSOJGSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568261 856188547 /nfs/dbraw/zinc/18/85/47/856188547.db2.gz DFJBAPIYACIHNK-XHSDSOJGSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568261 856188557 /nfs/dbraw/zinc/18/85/57/856188557.db2.gz DFJBAPIYACIHNK-XHSDSOJGSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568261 856188561 /nfs/dbraw/zinc/18/85/61/856188561.db2.gz DFJBAPIYACIHNK-XHSDSOJGSA-N 2 2 356.511 0.137 20 0 FCADLP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC001220605713 856203025 /nfs/dbraw/zinc/20/30/25/856203025.db2.gz WLXGYSPTUZOLOF-CHWSQXEVSA-N 3 2 352.236 0.858 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccc(Br)cc1 ZINC001220607052 856203730 /nfs/dbraw/zinc/20/37/30/856203730.db2.gz HKGCFSPQIOYZBX-ZLDLUXBVSA-N 3 2 353.264 0.517 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681509 856238626 /nfs/dbraw/zinc/23/86/26/856238626.db2.gz JFBMHSGSRDMDRV-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681509 856238631 /nfs/dbraw/zinc/23/86/31/856238631.db2.gz JFBMHSGSRDMDRV-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681509 856238634 /nfs/dbraw/zinc/23/86/34/856238634.db2.gz JFBMHSGSRDMDRV-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681509 856238642 /nfs/dbraw/zinc/23/86/42/856238642.db2.gz JFBMHSGSRDMDRV-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220683011 856239657 /nfs/dbraw/zinc/23/96/57/856239657.db2.gz KDQITFQCSPRQGV-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220683011 856239665 /nfs/dbraw/zinc/23/96/65/856239665.db2.gz KDQITFQCSPRQGV-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220683011 856239677 /nfs/dbraw/zinc/23/96/77/856239677.db2.gz KDQITFQCSPRQGV-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220683011 856239684 /nfs/dbraw/zinc/23/96/84/856239684.db2.gz KDQITFQCSPRQGV-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771844 856290486 /nfs/dbraw/zinc/29/04/86/856290486.db2.gz FNFKUANCQVSSMM-WBVHZDCISA-N 2 2 350.463 0.739 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001220771844 856290493 /nfs/dbraw/zinc/29/04/93/856290493.db2.gz FNFKUANCQVSSMM-WBVHZDCISA-N 2 2 350.463 0.739 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220772199 856292036 /nfs/dbraw/zinc/29/20/36/856292036.db2.gz KMSZJLTWMXIYBS-GJZGRUSLSA-N 3 2 353.467 0.116 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CC1 ZINC001220888785 856360206 /nfs/dbraw/zinc/36/02/06/856360206.db2.gz WXYMAXAHYROXNY-IXDOHACOSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CC1 ZINC001220888785 856360207 /nfs/dbraw/zinc/36/02/07/856360207.db2.gz WXYMAXAHYROXNY-IXDOHACOSA-N 2 2 350.463 0.329 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220919211 856374654 /nfs/dbraw/zinc/37/46/54/856374654.db2.gz YEWLUOVMQNYLIA-ZNMIVQPWSA-N 2 2 368.275 0.720 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220919211 856374659 /nfs/dbraw/zinc/37/46/59/856374659.db2.gz YEWLUOVMQNYLIA-ZNMIVQPWSA-N 2 2 368.275 0.720 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220919073 856374842 /nfs/dbraw/zinc/37/48/42/856374842.db2.gz RNPWGDGSWXLCCV-KKUMJFAQSA-N 2 2 368.275 0.862 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220919073 856374847 /nfs/dbraw/zinc/37/48/47/856374847.db2.gz RNPWGDGSWXLCCV-KKUMJFAQSA-N 2 2 368.275 0.862 20 0 FCADLP CS(=O)(=O)N1CCC(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1 ZINC001220926283 856376748 /nfs/dbraw/zinc/37/67/48/856376748.db2.gz FIENRLZWADWWKV-OAHLLOKOSA-N 2 2 354.476 0.047 20 0 FCADLP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001220928374 856377884 /nfs/dbraw/zinc/37/78/84/856377884.db2.gz NBZXOZQZAPCJJG-ZEUIUJOJSA-N 2 2 353.488 0.482 20 0 FCADLP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001220928374 856377894 /nfs/dbraw/zinc/37/78/94/856377894.db2.gz NBZXOZQZAPCJJG-ZEUIUJOJSA-N 2 2 353.488 0.482 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001221161549 856493037 /nfs/dbraw/zinc/49/30/37/856493037.db2.gz SAWGOMFPMRREPR-BACDZXNISA-N 2 2 350.463 0.640 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001221161549 856493040 /nfs/dbraw/zinc/49/30/40/856493040.db2.gz SAWGOMFPMRREPR-BACDZXNISA-N 2 2 350.463 0.640 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(S(=O)(=O)c3ccccc3)cc2)C1 ZINC001221332291 856550299 /nfs/dbraw/zinc/55/02/99/856550299.db2.gz YFLUPRUCCFWWJA-YOEHRIQHSA-N 2 2 359.451 0.825 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221561059 856607345 /nfs/dbraw/zinc/60/73/45/856607345.db2.gz VXTJNUPJERSKRV-YYIAUSFCSA-N 2 2 350.507 0.776 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221561059 856607351 /nfs/dbraw/zinc/60/73/51/856607351.db2.gz VXTJNUPJERSKRV-YYIAUSFCSA-N 2 2 350.507 0.776 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221561059 856607353 /nfs/dbraw/zinc/60/73/53/856607353.db2.gz VXTJNUPJERSKRV-YYIAUSFCSA-N 2 2 350.507 0.776 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221561059 856607356 /nfs/dbraw/zinc/60/73/56/856607356.db2.gz VXTJNUPJERSKRV-YYIAUSFCSA-N 2 2 350.507 0.776 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001221620353 856626669 /nfs/dbraw/zinc/62/66/69/856626669.db2.gz APGMLKFYDJCDJL-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001221620353 856626672 /nfs/dbraw/zinc/62/66/72/856626672.db2.gz APGMLKFYDJCDJL-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001221620353 856626676 /nfs/dbraw/zinc/62/66/76/856626676.db2.gz APGMLKFYDJCDJL-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CCC1 ZINC001221620353 856626678 /nfs/dbraw/zinc/62/66/78/856626678.db2.gz APGMLKFYDJCDJL-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620761 856626973 /nfs/dbraw/zinc/62/69/73/856626973.db2.gz XAVCMIDGTTZAMY-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620761 856626977 /nfs/dbraw/zinc/62/69/77/856626977.db2.gz XAVCMIDGTTZAMY-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620761 856626989 /nfs/dbraw/zinc/62/69/89/856626989.db2.gz XAVCMIDGTTZAMY-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620761 856626993 /nfs/dbraw/zinc/62/69/93/856626993.db2.gz XAVCMIDGTTZAMY-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620514 856627284 /nfs/dbraw/zinc/62/72/84/856627284.db2.gz IQRNTEUILAZGLZ-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620514 856627290 /nfs/dbraw/zinc/62/72/90/856627290.db2.gz IQRNTEUILAZGLZ-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620514 856627297 /nfs/dbraw/zinc/62/72/97/856627297.db2.gz IQRNTEUILAZGLZ-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620514 856627303 /nfs/dbraw/zinc/62/73/03/856627303.db2.gz IQRNTEUILAZGLZ-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221692806 856654783 /nfs/dbraw/zinc/65/47/83/856654783.db2.gz MYONGUUWANFPLI-NUEKZKHPSA-N 2 2 368.503 0.405 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221692806 856654787 /nfs/dbraw/zinc/65/47/87/856654787.db2.gz MYONGUUWANFPLI-NUEKZKHPSA-N 2 2 368.503 0.405 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765361 856675921 /nfs/dbraw/zinc/67/59/21/856675921.db2.gz BGXJZIQRZRSHQD-MWDXBVQZSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765361 856675927 /nfs/dbraw/zinc/67/59/27/856675927.db2.gz BGXJZIQRZRSHQD-MWDXBVQZSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765361 856675931 /nfs/dbraw/zinc/67/59/31/856675931.db2.gz BGXJZIQRZRSHQD-MWDXBVQZSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765361 856675934 /nfs/dbraw/zinc/67/59/34/856675934.db2.gz BGXJZIQRZRSHQD-MWDXBVQZSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815011 856695254 /nfs/dbraw/zinc/69/52/54/856695254.db2.gz OAPJSWSFJUCDKX-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815011 856695259 /nfs/dbraw/zinc/69/52/59/856695259.db2.gz OAPJSWSFJUCDKX-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815011 856695266 /nfs/dbraw/zinc/69/52/66/856695266.db2.gz OAPJSWSFJUCDKX-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815011 856695271 /nfs/dbraw/zinc/69/52/71/856695271.db2.gz OAPJSWSFJUCDKX-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813477 856695910 /nfs/dbraw/zinc/69/59/10/856695910.db2.gz KUFOOMLUYUKTOS-GVDBMIGSSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813477 856695918 /nfs/dbraw/zinc/69/59/18/856695918.db2.gz KUFOOMLUYUKTOS-GVDBMIGSSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813477 856695921 /nfs/dbraw/zinc/69/59/21/856695921.db2.gz KUFOOMLUYUKTOS-GVDBMIGSSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813477 856695927 /nfs/dbraw/zinc/69/59/27/856695927.db2.gz KUFOOMLUYUKTOS-GVDBMIGSSA-N 2 2 350.507 0.870 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910467 856730641 /nfs/dbraw/zinc/73/06/41/856730641.db2.gz CPHRTANYEMRIND-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910467 856730646 /nfs/dbraw/zinc/73/06/46/856730646.db2.gz CPHRTANYEMRIND-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221968412 856752417 /nfs/dbraw/zinc/75/24/17/856752417.db2.gz MZDHMGVBMBEXNP-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221968412 856752423 /nfs/dbraw/zinc/75/24/23/856752423.db2.gz MZDHMGVBMBEXNP-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221968412 856752429 /nfs/dbraw/zinc/75/24/29/856752429.db2.gz MZDHMGVBMBEXNP-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221968412 856752433 /nfs/dbraw/zinc/75/24/33/856752433.db2.gz MZDHMGVBMBEXNP-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016695 856768156 /nfs/dbraw/zinc/76/81/56/856768156.db2.gz XBBPMBXZUUXZAP-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016695 856768164 /nfs/dbraw/zinc/76/81/64/856768164.db2.gz XBBPMBXZUUXZAP-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050672 856785360 /nfs/dbraw/zinc/78/53/60/856785360.db2.gz CCPNBIYBGLQJHG-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050672 856785366 /nfs/dbraw/zinc/78/53/66/856785366.db2.gz CCPNBIYBGLQJHG-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050672 856785373 /nfs/dbraw/zinc/78/53/73/856785373.db2.gz CCPNBIYBGLQJHG-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050672 856785380 /nfs/dbraw/zinc/78/53/80/856785380.db2.gz CCPNBIYBGLQJHG-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443558 856840641 /nfs/dbraw/zinc/84/06/41/856840641.db2.gz YWKQLCCVTQTZPH-OAGGEKHMSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443558 856840646 /nfs/dbraw/zinc/84/06/46/856840646.db2.gz YWKQLCCVTQTZPH-OAGGEKHMSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443558 856840655 /nfs/dbraw/zinc/84/06/55/856840655.db2.gz YWKQLCCVTQTZPH-OAGGEKHMSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222443558 856840663 /nfs/dbraw/zinc/84/06/63/856840663.db2.gz YWKQLCCVTQTZPH-OAGGEKHMSA-N 2 2 357.520 0.438 20 0 FCADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515698 856848333 /nfs/dbraw/zinc/84/83/33/856848333.db2.gz YALJNRXWLQWKAO-UHFFFAOYSA-N 3 2 363.531 0.973 20 0 FCADLP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515698 856848337 /nfs/dbraw/zinc/84/83/37/856848337.db2.gz YALJNRXWLQWKAO-UHFFFAOYSA-N 3 2 363.531 0.973 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223165940 856899083 /nfs/dbraw/zinc/89/90/83/856899083.db2.gz QRFQIEPDVCUPSE-OAGGEKHMSA-N 2 2 350.463 0.283 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223165940 856899085 /nfs/dbraw/zinc/89/90/85/856899085.db2.gz QRFQIEPDVCUPSE-OAGGEKHMSA-N 2 2 350.463 0.283 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC(F)(F)F)[C@H]2C1 ZINC001223430090 856915018 /nfs/dbraw/zinc/91/50/18/856915018.db2.gz GCJZRNRWJSZMJA-OLZOCXBDSA-N 2 2 364.412 0.539 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC(F)(F)F)[C@H]2C1 ZINC001223430090 856915028 /nfs/dbraw/zinc/91/50/28/856915028.db2.gz GCJZRNRWJSZMJA-OLZOCXBDSA-N 2 2 364.412 0.539 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001227028846 857137999 /nfs/dbraw/zinc/13/79/99/857137999.db2.gz PBHVEIJNVWZNQR-HZPDHXFCSA-N 2 2 351.447 0.659 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001227029051 857138364 /nfs/dbraw/zinc/13/83/64/857138364.db2.gz ZHVKPQCSMXGJSQ-BZUAXINKSA-N 2 2 351.447 0.657 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)CC1 ZINC001229287975 857263625 /nfs/dbraw/zinc/26/36/25/857263625.db2.gz SZDFKGLXVVQMQM-HZPDHXFCSA-N 2 2 359.536 0.780 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)CS(C)(=O)=O ZINC001229327254 857264935 /nfs/dbraw/zinc/26/49/35/857264935.db2.gz KGXZWWYFXYNPSX-MGPQQGTHSA-N 2 2 356.492 0.650 20 0 FCADLP COC1CC[NH+](C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC001231771512 857366065 /nfs/dbraw/zinc/36/60/65/857366065.db2.gz VYLARCLDCNGNRO-UHFFFAOYSA-N 2 2 350.463 0.159 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccns3)CC2)C1=O ZINC001232191583 857369796 /nfs/dbraw/zinc/36/97/96/857369796.db2.gz WCRRLAHJWSAISC-UHFFFAOYSA-N 2 2 351.520 0.813 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccns3)CC2)C1=O ZINC001232191583 857369803 /nfs/dbraw/zinc/36/98/03/857369803.db2.gz WCRRLAHJWSAISC-UHFFFAOYSA-N 2 2 351.520 0.813 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)O1 ZINC001235485034 857425000 /nfs/dbraw/zinc/42/50/00/857425000.db2.gz FTJLCTODNFRKRO-JJXSEGSLSA-N 2 2 353.463 0.887 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)O1 ZINC001235485034 857425003 /nfs/dbraw/zinc/42/50/03/857425003.db2.gz FTJLCTODNFRKRO-JJXSEGSLSA-N 2 2 353.463 0.887 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@H+](CCCC[NH3+])C2 ZINC001235555239 857427388 /nfs/dbraw/zinc/42/73/88/857427388.db2.gz QSASSKCEXLPJGM-INIZCTEOSA-N 3 2 351.495 0.407 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@@H+](CCCC[NH3+])C2 ZINC001235555239 857427391 /nfs/dbraw/zinc/42/73/91/857427391.db2.gz QSASSKCEXLPJGM-INIZCTEOSA-N 3 2 351.495 0.407 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(I)cc1 ZINC001238839059 857482606 /nfs/dbraw/zinc/48/26/06/857482606.db2.gz OVJPPZMXJPBDIB-UHFFFAOYSA-N 2 2 369.228 0.118 20 0 FCADLP [NH3+]CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001239077430 857507004 /nfs/dbraw/zinc/50/70/04/857507004.db2.gz NVBVRZKKKSTYMO-ZDUSSCGKSA-N 2 2 351.432 0.077 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364438 857526900 /nfs/dbraw/zinc/52/69/00/857526900.db2.gz XYAMDNMLPDIFHU-HNNXBMFYSA-N 3 2 355.552 0.047 20 0 FCADLP S=C(NCCc1ccc(Cl)cc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438706 857528956 /nfs/dbraw/zinc/52/89/56/857528956.db2.gz IVYHAXHTUMAJDS-UHFFFAOYSA-N 2 2 369.966 0.841 20 0 FCADLP O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000521 857562801 /nfs/dbraw/zinc/56/28/01/857562801.db2.gz PRJKOTDUFUPJBC-QGZVFWFLSA-N 3 2 351.466 0.860 20 0 FCADLP C[C@@H]1CC[C@H]([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246275065 857572605 /nfs/dbraw/zinc/57/26/05/857572605.db2.gz DEKRVGRMVUDXKB-SJORKVTESA-N 2 2 366.531 0.723 20 0 FCADLP COC(=O)[C@@H]1C[C@H](n2cc(Br)ccc2=NCCCC[NH3+])C[NH2+]1 ZINC001246330212 857574133 /nfs/dbraw/zinc/57/41/33/857574133.db2.gz VQIKMTVKJHRJFM-STQMWFEESA-N 2 2 371.279 0.966 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2)cc1 ZINC001246558279 857584593 /nfs/dbraw/zinc/58/45/93/857584593.db2.gz KHDZUDQVEYJDCB-IAGOWNOFSA-N 2 2 353.488 0.542 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)CC2)cc1 ZINC001246558279 857584598 /nfs/dbraw/zinc/58/45/98/857584598.db2.gz KHDZUDQVEYJDCB-IAGOWNOFSA-N 2 2 353.488 0.542 20 0 FCADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774361 857600173 /nfs/dbraw/zinc/60/01/73/857600173.db2.gz NBHWEUKXTHLPMR-VUHPKUFZSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774361 857600178 /nfs/dbraw/zinc/60/01/78/857600178.db2.gz NBHWEUKXTHLPMR-VUHPKUFZSA-N 2 2 351.491 0.857 20 0 FCADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419745 857803245 /nfs/dbraw/zinc/80/32/45/857803245.db2.gz DXWXLTQUWJJIIB-FVQBIDKESA-N 2 2 369.487 0.508 20 0 FCADLP COC(=O)[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419745 857803250 /nfs/dbraw/zinc/80/32/50/857803250.db2.gz DXWXLTQUWJJIIB-FVQBIDKESA-N 2 2 369.487 0.508 20 0 FCADLP COC(=O)[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419745 857803257 /nfs/dbraw/zinc/80/32/57/857803257.db2.gz DXWXLTQUWJJIIB-FVQBIDKESA-N 2 2 369.487 0.508 20 0 FCADLP COC(=O)[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419745 857803264 /nfs/dbraw/zinc/80/32/64/857803264.db2.gz DXWXLTQUWJJIIB-FVQBIDKESA-N 2 2 369.487 0.508 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cnsc2)C[C@]2(CCCC(=O)N2)C1 ZINC001279565059 862960114 /nfs/dbraw/zinc/96/01/14/862960114.db2.gz VYNZUTADZGYPOD-KRWDZBQOSA-N 2 2 351.520 0.861 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cnsc2)C[C@]2(CCCC(=O)N2)C1 ZINC001279565059 862960122 /nfs/dbraw/zinc/96/01/22/862960122.db2.gz VYNZUTADZGYPOD-KRWDZBQOSA-N 2 2 351.520 0.861 20 0 FCADLP CCOC(=O)c1n[nH]c([C@@H]2CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253395512 857886279 /nfs/dbraw/zinc/88/62/79/857886279.db2.gz ICNPUVOGSRNYBT-CHWSQXEVSA-N 2 2 353.467 0.910 20 0 FCADLP CCOC(=O)c1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253395512 857886291 /nfs/dbraw/zinc/88/62/91/857886291.db2.gz ICNPUVOGSRNYBT-CHWSQXEVSA-N 2 2 353.467 0.910 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)COC(C)(C)C)CCC2 ZINC001253452376 857888862 /nfs/dbraw/zinc/88/88/62/857888862.db2.gz KMGHDOUZLBHQIL-HNNXBMFYSA-N 2 2 352.479 0.687 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)COC(C)(C)C)CCC2 ZINC001253452376 857888864 /nfs/dbraw/zinc/88/88/64/857888864.db2.gz KMGHDOUZLBHQIL-HNNXBMFYSA-N 2 2 352.479 0.687 20 0 FCADLP O=C(NCC(F)(F)F)N1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001279614898 862980592 /nfs/dbraw/zinc/98/05/92/862980592.db2.gz GVUNBORQBIKHRD-BETUJISGSA-N 2 2 350.385 0.643 20 0 FCADLP O=C(NCC(F)(F)F)N1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001279614898 862980604 /nfs/dbraw/zinc/98/06/04/862980604.db2.gz GVUNBORQBIKHRD-BETUJISGSA-N 2 2 350.385 0.643 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC001256851656 858100455 /nfs/dbraw/zinc/10/04/55/858100455.db2.gz PZTCMIBGYIJIIU-CQSZACIVSA-N 2 2 350.463 0.941 20 0 FCADLP CS(=O)(=O)N1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001257236485 858131199 /nfs/dbraw/zinc/13/11/99/858131199.db2.gz MKHFKSMCDFHARP-CALCHBBNSA-N 2 2 364.515 0.869 20 0 FCADLP CS(=O)(=O)N1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001257236485 858131205 /nfs/dbraw/zinc/13/12/05/858131205.db2.gz MKHFKSMCDFHARP-CALCHBBNSA-N 2 2 364.515 0.869 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001257236485 858131210 /nfs/dbraw/zinc/13/12/10/858131210.db2.gz MKHFKSMCDFHARP-CALCHBBNSA-N 2 2 364.515 0.869 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001257236485 858131217 /nfs/dbraw/zinc/13/12/17/858131217.db2.gz MKHFKSMCDFHARP-CALCHBBNSA-N 2 2 364.515 0.869 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001258372460 858194102 /nfs/dbraw/zinc/19/41/02/858194102.db2.gz BPQRMXHVTWKWAE-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001258414489 858197330 /nfs/dbraw/zinc/19/73/30/858197330.db2.gz WBWSEMYCZUIVJD-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001258414489 858197334 /nfs/dbraw/zinc/19/73/34/858197334.db2.gz WBWSEMYCZUIVJD-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001258414488 858197499 /nfs/dbraw/zinc/19/74/99/858197499.db2.gz WBWSEMYCZUIVJD-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001258414488 858197500 /nfs/dbraw/zinc/19/75/00/858197500.db2.gz WBWSEMYCZUIVJD-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H](F)C3)C2)CC1 ZINC001261467343 858557469 /nfs/dbraw/zinc/55/74/69/858557469.db2.gz GNFUJVJCJGYNCJ-KKUMJFAQSA-N 2 2 354.470 0.668 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H](F)C3)C2)CC1 ZINC001261467343 858557479 /nfs/dbraw/zinc/55/74/79/858557479.db2.gz GNFUJVJCJGYNCJ-KKUMJFAQSA-N 2 2 354.470 0.668 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176833 860979586 /nfs/dbraw/zinc/97/95/86/860979586.db2.gz LPYYOHSMBPWHHY-IEBWSBKVSA-N 2 2 351.539 0.108 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176833 860979593 /nfs/dbraw/zinc/97/95/93/860979593.db2.gz LPYYOHSMBPWHHY-IEBWSBKVSA-N 2 2 351.539 0.108 20 0 FCADLP COC(C)(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280055978 863227150 /nfs/dbraw/zinc/22/71/50/863227150.db2.gz CTZOQOOWTDZOBA-IXDOHACOSA-N 2 2 351.491 0.807 20 0 FCADLP COC(C)(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280055978 863227168 /nfs/dbraw/zinc/22/71/68/863227168.db2.gz CTZOQOOWTDZOBA-IXDOHACOSA-N 2 2 351.491 0.807 20 0 FCADLP COCOCCC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001280089561 863256605 /nfs/dbraw/zinc/25/66/05/863256605.db2.gz CSUCWUZOYPJDKA-INIZCTEOSA-N 2 2 355.479 0.441 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC3(C[NH+](C[C@@H]4CCCO4)C3)O2)CC1 ZINC001280191916 863322241 /nfs/dbraw/zinc/32/22/41/863322241.db2.gz IPIBAZZGMZCEDG-IRXDYDNUSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259522 863367137 /nfs/dbraw/zinc/36/71/37/863367137.db2.gz PWQJZUJUDIJJJJ-DEORAPPZSA-N 2 2 351.491 0.305 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259522 863367145 /nfs/dbraw/zinc/36/71/45/863367145.db2.gz PWQJZUJUDIJJJJ-DEORAPPZSA-N 2 2 351.491 0.305 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259522 863367159 /nfs/dbraw/zinc/36/71/59/863367159.db2.gz PWQJZUJUDIJJJJ-DEORAPPZSA-N 2 2 351.491 0.305 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259522 863367167 /nfs/dbraw/zinc/36/71/67/863367167.db2.gz PWQJZUJUDIJJJJ-DEORAPPZSA-N 2 2 351.491 0.305 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259524 863367312 /nfs/dbraw/zinc/36/73/12/863367312.db2.gz PWQJZUJUDIJJJJ-MWTISTBLSA-N 2 2 351.491 0.305 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259524 863367327 /nfs/dbraw/zinc/36/73/27/863367327.db2.gz PWQJZUJUDIJJJJ-MWTISTBLSA-N 2 2 351.491 0.305 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259524 863367342 /nfs/dbraw/zinc/36/73/42/863367342.db2.gz PWQJZUJUDIJJJJ-MWTISTBLSA-N 2 2 351.491 0.305 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NCC2COC2)C1 ZINC001280259524 863367354 /nfs/dbraw/zinc/36/73/54/863367354.db2.gz PWQJZUJUDIJJJJ-MWTISTBLSA-N 2 2 351.491 0.305 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001351787975 866970141 /nfs/dbraw/zinc/97/01/41/866970141.db2.gz RPCNPZQTWDXTEW-IXDOHACOSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001351787975 866970162 /nfs/dbraw/zinc/97/01/62/866970162.db2.gz RPCNPZQTWDXTEW-IXDOHACOSA-N 2 2 353.511 0.127 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353679392 867470431 /nfs/dbraw/zinc/47/04/31/867470431.db2.gz XLBIFTMYUYPFNF-ULQDDVLXSA-N 2 2 350.507 0.968 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353679392 867470435 /nfs/dbraw/zinc/47/04/35/867470435.db2.gz XLBIFTMYUYPFNF-ULQDDVLXSA-N 2 2 350.507 0.968 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001318455616 867668971 /nfs/dbraw/zinc/66/89/71/867668971.db2.gz UUCZLEPMQWUMAS-UHFFFAOYSA-N 2 2 374.551 0.667 20 0 FCADLP CN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCC[N@H+](C)C1 ZINC001355226819 867749963 /nfs/dbraw/zinc/74/99/63/867749963.db2.gz QZVYUGUQDNEQPO-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCC[N@@H+](C)C1 ZINC001355226819 867749971 /nfs/dbraw/zinc/74/99/71/867749971.db2.gz QZVYUGUQDNEQPO-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP COCCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001355707997 867845116 /nfs/dbraw/zinc/84/51/16/867845116.db2.gz FERCCJIEYMNFAV-LSDHHAIUSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001355707997 867845129 /nfs/dbraw/zinc/84/51/29/867845129.db2.gz FERCCJIEYMNFAV-LSDHHAIUSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001355707997 867845143 /nfs/dbraw/zinc/84/51/43/867845143.db2.gz FERCCJIEYMNFAV-LSDHHAIUSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001355707997 867845152 /nfs/dbraw/zinc/84/51/52/867845152.db2.gz FERCCJIEYMNFAV-LSDHHAIUSA-N 2 2 350.467 0.212 20 0 FCADLP NC(=O)NC(=O)CC[NH2+]C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001356611378 868033959 /nfs/dbraw/zinc/03/39/59/868033959.db2.gz ZVFVRMINZVMVQX-UHFFFAOYSA-N 2 2 352.410 0.844 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001357914491 868163828 /nfs/dbraw/zinc/16/38/28/868163828.db2.gz YHCFWUGCRSDGMC-CYBMUJFWSA-N 2 2 350.467 0.031 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001357914491 868163839 /nfs/dbraw/zinc/16/38/39/868163839.db2.gz YHCFWUGCRSDGMC-CYBMUJFWSA-N 2 2 350.467 0.031 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001322649970 868896356 /nfs/dbraw/zinc/89/63/56/868896356.db2.gz HCQVWGGGKWQUIK-UHFFFAOYSA-N 2 2 374.551 0.621 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725293 868920548 /nfs/dbraw/zinc/92/05/48/868920548.db2.gz SWXUKUCVACDJEL-GJZGRUSLSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725293 868920554 /nfs/dbraw/zinc/92/05/54/868920554.db2.gz SWXUKUCVACDJEL-GJZGRUSLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001324387647 869567934 /nfs/dbraw/zinc/56/79/34/869567934.db2.gz UJSLSYCZFGPNNY-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001324387647 869567946 /nfs/dbraw/zinc/56/79/46/869567946.db2.gz UJSLSYCZFGPNNY-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001326193705 870204389 /nfs/dbraw/zinc/20/43/89/870204389.db2.gz GHZHAVYGLNQJGE-ZFWWWQNUSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001326193705 870204396 /nfs/dbraw/zinc/20/43/96/870204396.db2.gz GHZHAVYGLNQJGE-ZFWWWQNUSA-N 2 2 356.536 0.481 20 0 FCADLP COc1cc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)ccc1S(C)(=O)=O ZINC001327719589 871036233 /nfs/dbraw/zinc/03/62/33/871036233.db2.gz IOWITAYBHMLEIZ-JTQLQIEISA-N 2 2 366.443 0.904 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(O)(CO)CC3)CC2)CC1 ZINC001328553006 871501110 /nfs/dbraw/zinc/50/11/10/871501110.db2.gz KLADQFGYPSAAAB-UHFFFAOYSA-N 2 2 354.495 0.074 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001346213150 871709909 /nfs/dbraw/zinc/70/99/09/871709909.db2.gz JTKOINKHEQYTCM-UXLLHSPISA-N 2 2 354.520 0.445 20 0 FCADLP C[C@@H](N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306178 871764089 /nfs/dbraw/zinc/76/40/89/871764089.db2.gz MMJUGBKCNLLSFR-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306178 871764106 /nfs/dbraw/zinc/76/41/06/871764106.db2.gz MMJUGBKCNLLSFR-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346763498 871989830 /nfs/dbraw/zinc/98/98/30/871989830.db2.gz UIVKXZUTBOPVOC-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346763498 871989841 /nfs/dbraw/zinc/98/98/41/871989841.db2.gz UIVKXZUTBOPVOC-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491452 872065905 /nfs/dbraw/zinc/06/59/05/872065905.db2.gz SFKUWFQJVOUWBO-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491452 872065922 /nfs/dbraw/zinc/06/59/22/872065922.db2.gz SFKUWFQJVOUWBO-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056819 872139130 /nfs/dbraw/zinc/13/91/30/872139130.db2.gz TZSCJZJRMILKDF-RDJZCZTQSA-N 2 2 363.531 0.996 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056819 872139137 /nfs/dbraw/zinc/13/91/37/872139137.db2.gz TZSCJZJRMILKDF-RDJZCZTQSA-N 2 2 363.531 0.996 20 0 FCADLP Cn1cc[nH+]c1CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001348254883 872645036 /nfs/dbraw/zinc/64/50/36/872645036.db2.gz SAXWFNLYAKJDPU-ZDUSSCGKSA-N 2 2 353.467 0.924 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C1(C)C ZINC001330647870 872747877 /nfs/dbraw/zinc/74/78/77/872747877.db2.gz IFANDIOFLVHKQG-APWZRJJASA-N 2 2 352.523 0.757 20 0 FCADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC001330831382 872833733 /nfs/dbraw/zinc/83/37/33/872833733.db2.gz KNZBWYKVOPVHHY-OAHLLOKOSA-N 2 2 371.503 0.569 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001331191539 873000705 /nfs/dbraw/zinc/00/07/05/873000705.db2.gz ILNXWJHHYGLGAD-ZDUSSCGKSA-N 2 2 365.503 0.223 20 0 FCADLP O=C(C[C@H]1CSCC[NH2+]1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001332152110 873393496 /nfs/dbraw/zinc/39/34/96/873393496.db2.gz JOSGNPYRQWZLFE-ZDUSSCGKSA-N 2 2 350.492 0.182 20 0 FCADLP COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001332340838 873464269 /nfs/dbraw/zinc/46/42/69/873464269.db2.gz RGGGZGJXVNYPFV-OAGGEKHMSA-N 2 2 373.519 0.545 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[NH2+]CC1 ZINC001332507819 873534846 /nfs/dbraw/zinc/53/48/46/873534846.db2.gz VLQVMXAFPVHTMA-UHFFFAOYSA-N 2 2 366.487 0.465 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001332839058 873682396 /nfs/dbraw/zinc/68/23/96/873682396.db2.gz ABEQGBYUEUKYDD-HNNXBMFYSA-N 2 2 354.451 0.116 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001332839058 873682406 /nfs/dbraw/zinc/68/24/06/873682406.db2.gz ABEQGBYUEUKYDD-HNNXBMFYSA-N 2 2 354.451 0.116 20 0 FCADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824547625 946791136 /nfs/dbraw/zinc/79/11/36/946791136.db2.gz QSVMGBURZPYCAP-YJBOKZPZSA-N 2 2 371.489 0.924 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432443 948932544 /nfs/dbraw/zinc/93/25/44/948932544.db2.gz JTRZMXYFQOEVOL-UHFFFAOYSA-N 2 2 369.433 0.574 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574954994 949561060 /nfs/dbraw/zinc/56/10/60/949561060.db2.gz ABQZJPPOEVJEMQ-WFASDCNBSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574954994 949561075 /nfs/dbraw/zinc/56/10/75/949561075.db2.gz ABQZJPPOEVJEMQ-WFASDCNBSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574477142 949639479 /nfs/dbraw/zinc/63/94/79/949639479.db2.gz KGVKCNWRNCWHPP-LBPRGKRZSA-N 2 2 355.406 0.402 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574732942 950085670 /nfs/dbraw/zinc/08/56/70/950085670.db2.gz NIHHEDDHFCSODL-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574733168 950101449 /nfs/dbraw/zinc/10/14/49/950101449.db2.gz UROGVTAPSQBSPW-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192661 950256271 /nfs/dbraw/zinc/25/62/71/950256271.db2.gz ONLIWXRRXHSSNX-AWEZNQCLSA-N 2 2 372.477 0.674 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981470 950591698 /nfs/dbraw/zinc/59/16/98/950591698.db2.gz MNOLLWCDWAYPKB-DOMZBBRYSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981470 950591709 /nfs/dbraw/zinc/59/17/09/950591709.db2.gz MNOLLWCDWAYPKB-DOMZBBRYSA-N 2 2 356.434 0.181 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571025695 951456955 /nfs/dbraw/zinc/45/69/55/951456955.db2.gz FKEAOLYVUIDWEK-WFASDCNBSA-N 2 2 366.429 0.769 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571025979 951464466 /nfs/dbraw/zinc/46/44/66/951464466.db2.gz OQSNGYDRZICVBW-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571025979 951464470 /nfs/dbraw/zinc/46/44/70/951464470.db2.gz OQSNGYDRZICVBW-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571026578 951476122 /nfs/dbraw/zinc/47/61/22/951476122.db2.gz AOROLJAYNWKQNZ-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571032632 951551780 /nfs/dbraw/zinc/55/17/80/951551780.db2.gz AGERBGZXNSBMFV-LBPRGKRZSA-N 2 2 367.417 0.218 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575079475 951692293 /nfs/dbraw/zinc/69/22/93/951692293.db2.gz FFVMKSIWVWOVNJ-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575079831 951697396 /nfs/dbraw/zinc/69/73/96/951697396.db2.gz GWKVPDPZPPUIHH-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081365 951722644 /nfs/dbraw/zinc/72/26/44/951722644.db2.gz UBQSJNNGTWMNIG-NSHDSACASA-N 2 2 372.408 0.814 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088966 951744093 /nfs/dbraw/zinc/74/40/93/951744093.db2.gz DLGFSVXNAMGGDX-CQSZACIVSA-N 2 2 368.445 0.995 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575105579 951896096 /nfs/dbraw/zinc/89/60/96/951896096.db2.gz KTNMQOYYRCWQDI-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571071469 952058153 /nfs/dbraw/zinc/05/81/53/952058153.db2.gz XJAOKBCUJWZREH-ZDUSSCGKSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571103944 952363237 /nfs/dbraw/zinc/36/32/37/952363237.db2.gz WXGROGUELWEYNW-GFCCVEGCSA-N 2 2 372.458 0.906 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000292346279 214094148 /nfs/dbraw/zinc/09/41/48/214094148.db2.gz JNPCOGBSOWKTQE-UHFFFAOYSA-N 2 2 355.446 0.755 20 0 FCADLP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000265968488 210257838 /nfs/dbraw/zinc/25/78/38/210257838.db2.gz ZWJIITJKSJNWCS-YLJYHZDGSA-N 2 2 374.529 0.937 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000293854108 214206055 /nfs/dbraw/zinc/20/60/55/214206055.db2.gz YNXWGOMQNDWFNJ-HOCLYGCPSA-N 2 2 371.441 0.903 20 0 FCADLP C[NH+](Cc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)ccc1F)[C@@H]1COC[C@H]1O ZINC000295162587 214280295 /nfs/dbraw/zinc/28/02/95/214280295.db2.gz HDLDFXPVIADJBF-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP C[NH+](Cc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)ccc1F)[C@@H]1COC[C@H]1O ZINC000295162587 214280298 /nfs/dbraw/zinc/28/02/98/214280298.db2.gz HDLDFXPVIADJBF-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000295162587 214280302 /nfs/dbraw/zinc/28/03/02/214280302.db2.gz HDLDFXPVIADJBF-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1)[C@@H]1COC[C@H]1O ZINC000295162587 214280304 /nfs/dbraw/zinc/28/03/04/214280304.db2.gz HDLDFXPVIADJBF-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000295250230 214286247 /nfs/dbraw/zinc/28/62/47/214286247.db2.gz UEZHNBWMZJMYPQ-HNNXBMFYSA-N 2 2 362.478 0.350 20 0 FCADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000295250230 214286249 /nfs/dbraw/zinc/28/62/49/214286249.db2.gz UEZHNBWMZJMYPQ-HNNXBMFYSA-N 2 2 362.478 0.350 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265921171 210249122 /nfs/dbraw/zinc/24/91/22/210249122.db2.gz UQXURTCULOVVRF-LJQANCHMSA-N 2 2 374.485 0.168 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265921171 210249127 /nfs/dbraw/zinc/24/91/27/210249127.db2.gz UQXURTCULOVVRF-LJQANCHMSA-N 2 2 374.485 0.168 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)Cn1cc[nH+]c1C)C(=O)NCC[NH+]1CCOCC1 ZINC000297394749 214395358 /nfs/dbraw/zinc/39/53/58/214395358.db2.gz KNCSQVGUODDKOG-YOEHRIQHSA-N 2 2 365.478 0.171 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000265856428 210236227 /nfs/dbraw/zinc/23/62/27/210236227.db2.gz LFCNMJOASWQBQH-MRXNPFEDSA-N 2 2 363.458 0.727 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265661107 210191181 /nfs/dbraw/zinc/19/11/81/210191181.db2.gz XFFNPAZILNVIEO-TWKFVSLJSA-N 2 2 364.515 0.962 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265661107 210191184 /nfs/dbraw/zinc/19/11/84/210191184.db2.gz XFFNPAZILNVIEO-TWKFVSLJSA-N 2 2 364.515 0.962 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410502466 529865217 /nfs/dbraw/zinc/86/52/17/529865217.db2.gz ZFERBJYKEDGTDO-KRWDZBQOSA-N 2 2 360.458 0.862 20 0 FCADLP COCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000265631613 210183011 /nfs/dbraw/zinc/18/30/11/210183011.db2.gz FXAYEJKSGUCXHT-UHFFFAOYSA-N 2 2 365.474 0.280 20 0 FCADLP COCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000265631613 210183017 /nfs/dbraw/zinc/18/30/17/210183017.db2.gz FXAYEJKSGUCXHT-UHFFFAOYSA-N 2 2 365.474 0.280 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000410609743 529965295 /nfs/dbraw/zinc/96/52/95/529965295.db2.gz SSFRWZPGSRBMPG-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000410609743 529965296 /nfs/dbraw/zinc/96/52/96/529965296.db2.gz SSFRWZPGSRBMPG-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285724 530006580 /nfs/dbraw/zinc/00/65/80/530006580.db2.gz LFJONWBYHWREFG-MSOLQXFVSA-N 2 2 373.501 0.559 20 0 FCADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285724 530006582 /nfs/dbraw/zinc/00/65/82/530006582.db2.gz LFJONWBYHWREFG-MSOLQXFVSA-N 2 2 373.501 0.559 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285724 530006583 /nfs/dbraw/zinc/00/65/83/530006583.db2.gz LFJONWBYHWREFG-MSOLQXFVSA-N 2 2 373.501 0.559 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285724 530006585 /nfs/dbraw/zinc/00/65/85/530006585.db2.gz LFJONWBYHWREFG-MSOLQXFVSA-N 2 2 373.501 0.559 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000331572218 215017512 /nfs/dbraw/zinc/01/75/12/215017512.db2.gz DMJLTVHNGHFFIL-CVEARBPZSA-N 2 2 351.495 0.454 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000331646104 215027855 /nfs/dbraw/zinc/02/78/55/215027855.db2.gz VNVFKPOJRMYCIY-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000331646104 215027858 /nfs/dbraw/zinc/02/78/58/215027858.db2.gz VNVFKPOJRMYCIY-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000331646104 215027861 /nfs/dbraw/zinc/02/78/61/215027861.db2.gz VNVFKPOJRMYCIY-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000331646104 215027862 /nfs/dbraw/zinc/02/78/62/215027862.db2.gz VNVFKPOJRMYCIY-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[NH+]1CCOCC1 ZINC000265122326 210061314 /nfs/dbraw/zinc/06/13/14/210061314.db2.gz VXTSQXOMRYZJBC-UONOGXRCSA-N 2 2 372.429 0.431 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000331841795 215055811 /nfs/dbraw/zinc/05/58/11/215055811.db2.gz CPXQJXKWQSHWQC-CQSZACIVSA-N 2 2 365.503 0.396 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000331841795 215055812 /nfs/dbraw/zinc/05/58/12/215055812.db2.gz CPXQJXKWQSHWQC-CQSZACIVSA-N 2 2 365.503 0.396 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000332009252 215078408 /nfs/dbraw/zinc/07/84/08/215078408.db2.gz CWIVIERJFZFWIA-DLBZAZTESA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000332009252 215078412 /nfs/dbraw/zinc/07/84/12/215078412.db2.gz CWIVIERJFZFWIA-DLBZAZTESA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000332181567 215105517 /nfs/dbraw/zinc/10/55/17/215105517.db2.gz ZBYPUNVBCYZYFS-RDJZCZTQSA-N 2 2 359.474 0.447 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000332235868 215114278 /nfs/dbraw/zinc/11/42/78/215114278.db2.gz GNRWWNRZJDQOLI-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000332235868 215114282 /nfs/dbraw/zinc/11/42/82/215114282.db2.gz GNRWWNRZJDQOLI-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000332451793 215154366 /nfs/dbraw/zinc/15/43/66/215154366.db2.gz FWTIEDYSYLFYCQ-MRXNPFEDSA-N 2 2 364.515 0.993 20 0 FCADLP CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000332451793 215154370 /nfs/dbraw/zinc/15/43/70/215154370.db2.gz FWTIEDYSYLFYCQ-MRXNPFEDSA-N 2 2 364.515 0.993 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000332501005 215161735 /nfs/dbraw/zinc/16/17/35/215161735.db2.gz GJMSDMBFWNNKDI-JKSUJKDBSA-N 2 2 359.474 0.624 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000332499664 215162252 /nfs/dbraw/zinc/16/22/52/215162252.db2.gz YMHIRUSEKKEKHY-UONOGXRCSA-N 2 2 350.488 0.774 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C[NH2+]1 ZINC000332502731 215163418 /nfs/dbraw/zinc/16/34/18/215163418.db2.gz AGSLZPOSDYKXFB-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C[NH2+]1 ZINC000332502731 215163422 /nfs/dbraw/zinc/16/34/22/215163422.db2.gz AGSLZPOSDYKXFB-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000332525847 215169260 /nfs/dbraw/zinc/16/92/60/215169260.db2.gz NBPAMYYMIALKAT-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000332525847 215169263 /nfs/dbraw/zinc/16/92/63/215169263.db2.gz NBPAMYYMIALKAT-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000332525010 215167030 /nfs/dbraw/zinc/16/70/30/215167030.db2.gz RKLZENNOYDAEOP-HOCLYGCPSA-N 2 2 359.474 0.482 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C[C@@H]1C ZINC000332648257 215197923 /nfs/dbraw/zinc/19/79/23/215197923.db2.gz KRKFEPFOMGQTMR-QAETUUGQSA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C[C@@H]1C ZINC000332648257 215197927 /nfs/dbraw/zinc/19/79/27/215197927.db2.gz KRKFEPFOMGQTMR-QAETUUGQSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332665248 215200481 /nfs/dbraw/zinc/20/04/81/215200481.db2.gz PAENFFXAZMWKNN-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332665248 215200484 /nfs/dbraw/zinc/20/04/84/215200484.db2.gz PAENFFXAZMWKNN-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332821413 215214036 /nfs/dbraw/zinc/21/40/36/215214036.db2.gz ARIZPPILNRAPDB-VQIMIIECSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332821413 215214039 /nfs/dbraw/zinc/21/40/39/215214039.db2.gz ARIZPPILNRAPDB-VQIMIIECSA-N 2 2 354.454 0.981 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000333007085 215222912 /nfs/dbraw/zinc/22/29/12/215222912.db2.gz AHQAIBFPHZHQQJ-IAGOWNOFSA-N 2 2 369.554 0.499 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000333076795 215233179 /nfs/dbraw/zinc/23/31/79/215233179.db2.gz WDZVWRRIBAHOQX-QGZVFWFLSA-N 2 2 371.547 0.687 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CCO1 ZINC000333140160 215241386 /nfs/dbraw/zinc/24/13/86/215241386.db2.gz KDOKOFFWXKTZBT-ILXRZTDVSA-N 2 2 353.467 0.491 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CCO1 ZINC000333140160 215241390 /nfs/dbraw/zinc/24/13/90/215241390.db2.gz KDOKOFFWXKTZBT-ILXRZTDVSA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000333140160 215241393 /nfs/dbraw/zinc/24/13/93/215241393.db2.gz KDOKOFFWXKTZBT-ILXRZTDVSA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000333140160 215241396 /nfs/dbraw/zinc/24/13/96/215241396.db2.gz KDOKOFFWXKTZBT-ILXRZTDVSA-N 2 2 353.467 0.491 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC000333218648 215251788 /nfs/dbraw/zinc/25/17/88/215251788.db2.gz LSHWGHLLYHCKQF-SDDULXJBSA-N 2 2 366.506 0.602 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC000333218648 215251790 /nfs/dbraw/zinc/25/17/90/215251790.db2.gz LSHWGHLLYHCKQF-SDDULXJBSA-N 2 2 366.506 0.602 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333300109 215259927 /nfs/dbraw/zinc/25/99/27/215259927.db2.gz IVJGJARFMXEXAS-KDOFPFPSSA-N 2 2 359.478 0.882 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333300109 215259931 /nfs/dbraw/zinc/25/99/31/215259931.db2.gz IVJGJARFMXEXAS-KDOFPFPSSA-N 2 2 359.478 0.882 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000333297603 215260584 /nfs/dbraw/zinc/26/05/84/215260584.db2.gz SIJXWKUFOTWONZ-UKRRQHHQSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000333297603 215260587 /nfs/dbraw/zinc/26/05/87/215260587.db2.gz SIJXWKUFOTWONZ-UKRRQHHQSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000333297603 215260590 /nfs/dbraw/zinc/26/05/90/215260590.db2.gz SIJXWKUFOTWONZ-UKRRQHHQSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000333297603 215260594 /nfs/dbraw/zinc/26/05/94/215260594.db2.gz SIJXWKUFOTWONZ-UKRRQHHQSA-N 2 2 353.467 0.514 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333300115 215261448 /nfs/dbraw/zinc/26/14/48/215261448.db2.gz IVJGJARFMXEXAS-RDTXWAMCSA-N 2 2 359.478 0.882 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333300115 215261450 /nfs/dbraw/zinc/26/14/50/215261450.db2.gz IVJGJARFMXEXAS-RDTXWAMCSA-N 2 2 359.478 0.882 20 0 FCADLP C[C@@H](NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000333386632 215273513 /nfs/dbraw/zinc/27/35/13/215273513.db2.gz OFWKFWOXZHRGQQ-MRLCAUJQSA-N 2 2 367.538 0.611 20 0 FCADLP C[C@@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000333386632 215273516 /nfs/dbraw/zinc/27/35/16/215273516.db2.gz OFWKFWOXZHRGQQ-MRLCAUJQSA-N 2 2 367.538 0.611 20 0 FCADLP C[C@H]1CSC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000333384449 215273999 /nfs/dbraw/zinc/27/39/99/215273999.db2.gz BQAJRKXBGUBZOP-LSDHHAIUSA-N 2 2 370.544 0.875 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000333457390 215284214 /nfs/dbraw/zinc/28/42/14/215284214.db2.gz OVPPWXVUBARQTK-CYBMUJFWSA-N 2 2 359.478 0.588 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000333609854 215300405 /nfs/dbraw/zinc/30/04/05/215300405.db2.gz GNWCAKCBBRRWGP-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000333609854 215300407 /nfs/dbraw/zinc/30/04/07/215300407.db2.gz GNWCAKCBBRRWGP-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000333656832 215306119 /nfs/dbraw/zinc/30/61/19/215306119.db2.gz VSHZSIVXVXGUAA-SOUVJXGZSA-N 2 2 359.478 0.833 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000333656832 215306120 /nfs/dbraw/zinc/30/61/20/215306120.db2.gz VSHZSIVXVXGUAA-SOUVJXGZSA-N 2 2 359.478 0.833 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[nH+]cn1 ZINC000333656832 215306121 /nfs/dbraw/zinc/30/61/21/215306121.db2.gz VSHZSIVXVXGUAA-SOUVJXGZSA-N 2 2 359.478 0.833 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[nH+]cn1 ZINC000333656832 215306125 /nfs/dbraw/zinc/30/61/25/215306125.db2.gz VSHZSIVXVXGUAA-SOUVJXGZSA-N 2 2 359.478 0.833 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000333711723 215312025 /nfs/dbraw/zinc/31/20/25/215312025.db2.gz SLNWBOLFLRCJCO-IKGGRYGDSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333728964 215313303 /nfs/dbraw/zinc/31/33/03/215313303.db2.gz VUBSVSAKJSEAQV-WWDZGPRUSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333728964 215313306 /nfs/dbraw/zinc/31/33/06/215313306.db2.gz VUBSVSAKJSEAQV-WWDZGPRUSA-N 2 2 367.538 0.565 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000333745813 215315109 /nfs/dbraw/zinc/31/51/09/215315109.db2.gz YGDFTNFBYQOHOP-UHFFFAOYSA-N 2 2 353.511 0.176 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333745813 215315111 /nfs/dbraw/zinc/31/51/11/215315111.db2.gz YGDFTNFBYQOHOP-UHFFFAOYSA-N 2 2 353.511 0.176 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333796075 215319925 /nfs/dbraw/zinc/31/99/25/215319925.db2.gz HAIOYJVNBJNJNX-IAGOWNOFSA-N 2 2 365.522 0.714 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333846967 215324357 /nfs/dbraw/zinc/32/43/57/215324357.db2.gz PHQSFOQUCDYLPA-GOSISDBHSA-N 2 2 372.477 0.585 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285654744 213372990 /nfs/dbraw/zinc/37/29/90/213372990.db2.gz CMNOEPJFFSCTIU-QGZVFWFLSA-N 2 2 369.469 0.717 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000285654744 213372995 /nfs/dbraw/zinc/37/29/95/213372995.db2.gz CMNOEPJFFSCTIU-QGZVFWFLSA-N 2 2 369.469 0.717 20 0 FCADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCN(C)CC1 ZINC000360886210 215372078 /nfs/dbraw/zinc/37/20/78/215372078.db2.gz DYNHHCZPFJXBKN-INIZCTEOSA-N 2 2 371.489 0.950 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000285583757 213362293 /nfs/dbraw/zinc/36/22/93/213362293.db2.gz KQRSPBOYWAOYOU-UHFFFAOYSA-N 2 2 359.474 0.852 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000361084660 215380230 /nfs/dbraw/zinc/38/02/30/215380230.db2.gz LRISRZCPFHCWOT-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000361084660 215380233 /nfs/dbraw/zinc/38/02/33/215380233.db2.gz LRISRZCPFHCWOT-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000285269551 213314634 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361.421 0.866 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000284538875 213163959 /nfs/dbraw/zinc/16/39/59/213163959.db2.gz AUMYAVHDTGJIQU-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c[nH+]1 ZINC000284536720 213163552 /nfs/dbraw/zinc/16/35/52/213163552.db2.gz LCWIZTRHPZCCCG-MRXNPFEDSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c[nH+]1 ZINC000284536720 213163554 /nfs/dbraw/zinc/16/35/54/213163554.db2.gz LCWIZTRHPZCCCG-MRXNPFEDSA-N 2 2 359.474 0.897 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000284489415 213151445 /nfs/dbraw/zinc/15/14/45/213151445.db2.gz RSLXPTAPPUTFFJ-LSDHHAIUSA-N 2 2 371.441 0.789 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000284285238 213103711 /nfs/dbraw/zinc/10/37/11/213103711.db2.gz NPZTVQUZCVVUTD-ZFWWWQNUSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000284159099 213087254 /nfs/dbraw/zinc/08/72/54/213087254.db2.gz YKCVLUPDILGARY-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000284159099 213087257 /nfs/dbraw/zinc/08/72/57/213087257.db2.gz YKCVLUPDILGARY-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284143789 213084051 /nfs/dbraw/zinc/08/40/51/213084051.db2.gz XNRJIDFYBUZWNB-UHFFFAOYSA-N 2 2 354.414 0.864 20 0 FCADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000284127635 213080674 /nfs/dbraw/zinc/08/06/74/213080674.db2.gz UGQAPANOUJTBNW-KRWDZBQOSA-N 2 2 350.463 0.929 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284122644 213080371 /nfs/dbraw/zinc/08/03/71/213080371.db2.gz VPCUJGCNEWKDHP-UHFFFAOYSA-N 2 2 354.414 0.704 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000284073774 213068953 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C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000283855578 213021362 /nfs/dbraw/zinc/02/13/62/213021362.db2.gz GVOCCDPOGXQXKN-GOEBONIOSA-N 2 2 355.442 0.546 20 0 FCADLP C[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000412470721 237214988 /nfs/dbraw/zinc/21/49/88/237214988.db2.gz ZAQWFXJULMAMAJ-MRXNPFEDSA-N 2 2 370.563 0.337 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000413108250 237278306 /nfs/dbraw/zinc/27/83/06/237278306.db2.gz PFZZOPJUSXTSDV-UHFFFAOYSA-N 2 2 365.478 0.636 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000413181076 237287867 /nfs/dbraw/zinc/28/78/67/237287867.db2.gz ZEWMTBOKNCKRSZ-UHFFFAOYSA-N 2 2 372.510 0.086 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)nc[nH+]2)C1 ZINC000413250114 237301204 /nfs/dbraw/zinc/30/12/04/237301204.db2.gz QUPLZGIZHUVYHA-HRCADAONSA-N 2 2 363.506 0.965 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)nc[nH+]2)C1 ZINC000413250114 237301211 /nfs/dbraw/zinc/30/12/11/237301211.db2.gz QUPLZGIZHUVYHA-HRCADAONSA-N 2 2 363.506 0.965 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367200545 216090271 /nfs/dbraw/zinc/09/02/71/216090271.db2.gz JTHUROCQPYTYFJ-KZNAEPCWSA-N 2 2 367.538 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1CCOC ZINC000368022205 216193953 /nfs/dbraw/zinc/19/39/53/216193953.db2.gz ALRZNAHRXGLMCU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368022205 216193956 /nfs/dbraw/zinc/19/39/56/216193956.db2.gz ALRZNAHRXGLMCU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022205 216193957 /nfs/dbraw/zinc/19/39/57/216193957.db2.gz ALRZNAHRXGLMCU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022205 216193960 /nfs/dbraw/zinc/19/39/60/216193960.db2.gz ALRZNAHRXGLMCU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000368020759 216194308 /nfs/dbraw/zinc/19/43/08/216194308.db2.gz PUPCQFQERCFRBE-RDJZCZTQSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000368020759 216194311 /nfs/dbraw/zinc/19/43/11/216194311.db2.gz PUPCQFQERCFRBE-RDJZCZTQSA-N 2 2 362.478 0.773 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067367 216197734 /nfs/dbraw/zinc/19/77/34/216197734.db2.gz WTUKKUUYVSWZLK-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067367 216197737 /nfs/dbraw/zinc/19/77/37/216197737.db2.gz WTUKKUUYVSWZLK-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCO1 ZINC000368067367 216197741 /nfs/dbraw/zinc/19/77/41/216197741.db2.gz WTUKKUUYVSWZLK-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCO1 ZINC000368067367 216197743 /nfs/dbraw/zinc/19/77/43/216197743.db2.gz WTUKKUUYVSWZLK-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000246377178 209385471 /nfs/dbraw/zinc/38/54/71/209385471.db2.gz QNCVTFRNPQCOLL-BZSNNMDCSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685434 209394973 /nfs/dbraw/zinc/39/49/73/209394973.db2.gz JBPIMGCKUNSATR-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685434 209394979 /nfs/dbraw/zinc/39/49/79/209394979.db2.gz JBPIMGCKUNSATR-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685434 209394983 /nfs/dbraw/zinc/39/49/83/209394983.db2.gz JBPIMGCKUNSATR-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685434 209394988 /nfs/dbraw/zinc/39/49/88/209394988.db2.gz JBPIMGCKUNSATR-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000246555154 209392180 /nfs/dbraw/zinc/39/21/80/209392180.db2.gz DSFRUMDDXDJSFB-MSOLQXFVSA-N 2 2 352.523 0.583 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000246555154 209392185 /nfs/dbraw/zinc/39/21/85/209392185.db2.gz DSFRUMDDXDJSFB-MSOLQXFVSA-N 2 2 352.523 0.583 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000246509457 209391371 /nfs/dbraw/zinc/39/13/71/209391371.db2.gz URORZYBZBCVXJE-NCOADZHNSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000246509457 209391373 /nfs/dbraw/zinc/39/13/73/209391373.db2.gz URORZYBZBCVXJE-NCOADZHNSA-N 2 2 354.495 0.600 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000245463105 209367979 /nfs/dbraw/zinc/36/79/79/209367979.db2.gz ONDITLQOONEOMU-RTBURBONSA-N 2 2 361.486 0.767 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000245463105 209367981 /nfs/dbraw/zinc/36/79/81/209367981.db2.gz ONDITLQOONEOMU-RTBURBONSA-N 2 2 361.486 0.767 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000237228276 209348639 /nfs/dbraw/zinc/34/86/39/209348639.db2.gz STHZZZMKLDFZFJ-OAHLLOKOSA-N 2 2 352.460 0.313 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237563235 209353762 /nfs/dbraw/zinc/35/37/62/209353762.db2.gz NYFJJRHHCUTZEJ-MRXNPFEDSA-N 2 2 350.507 0.779 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237498503 209352519 /nfs/dbraw/zinc/35/25/19/209352519.db2.gz AQZDDANYGHIVOP-FUHWJXTLSA-N 2 2 358.486 0.884 20 0 FCADLP Cn1cc([C@@H]2C[N@H+](CCn3ccnc3)CCN2CCn2cc[nH+]c2)cn1 ZINC000368267313 216225819 /nfs/dbraw/zinc/22/58/19/216225819.db2.gz ZSLAPZXMCGAGKO-SFHVURJKSA-N 2 2 354.462 0.872 20 0 FCADLP Cn1cc([C@@H]2C[N@@H+](CCn3ccnc3)CCN2CCn2cc[nH+]c2)cn1 ZINC000368267313 216225821 /nfs/dbraw/zinc/22/58/21/216225821.db2.gz ZSLAPZXMCGAGKO-SFHVURJKSA-N 2 2 354.462 0.872 20 0 FCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)CC1 ZINC000237210765 209349292 /nfs/dbraw/zinc/34/92/92/209349292.db2.gz LMSBYKZBIMMPII-MRXNPFEDSA-N 2 2 350.488 0.914 20 0 FCADLP CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237150361 209347685 /nfs/dbraw/zinc/34/76/85/209347685.db2.gz JECNITIFDTXTFA-YOEHRIQHSA-N 2 2 357.458 0.642 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000236967814 209345330 /nfs/dbraw/zinc/34/53/30/209345330.db2.gz MBNWFOSOYSOJLO-OAHLLOKOSA-N 2 2 368.503 0.366 20 0 FCADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000236883785 209343739 /nfs/dbraw/zinc/34/37/39/209343739.db2.gz SLXAECFLYMITFA-HZPDHXFCSA-N 2 2 355.504 0.948 20 0 FCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000236695802 209342809 /nfs/dbraw/zinc/34/28/09/209342809.db2.gz HHVBZMSVSFUZGV-MAUKXSAKSA-N 2 2 354.495 0.047 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000195466796 209336670 /nfs/dbraw/zinc/33/66/70/209336670.db2.gz LIYHSFXXJNEWDM-IYBDPMFKSA-N 2 2 363.506 0.074 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000195466796 209336671 /nfs/dbraw/zinc/33/66/71/209336671.db2.gz LIYHSFXXJNEWDM-IYBDPMFKSA-N 2 2 363.506 0.074 20 0 FCADLP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000368332731 216235349 /nfs/dbraw/zinc/23/53/49/216235349.db2.gz OQCJWATXZRANAP-UHFFFAOYSA-N 3 2 351.539 0.110 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360941 216238061 /nfs/dbraw/zinc/23/80/61/216238061.db2.gz LFKFEEXIBUWTGA-QZTJIDSGSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360941 216238064 /nfs/dbraw/zinc/23/80/64/216238064.db2.gz LFKFEEXIBUWTGA-QZTJIDSGSA-N 2 2 359.474 0.772 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3C(=O)NCC[C@H]3C)CC2)cc1 ZINC000193612982 209315509 /nfs/dbraw/zinc/31/55/09/209315509.db2.gz DRQINUVIATYNGD-BEFAXECRSA-N 2 2 374.485 0.454 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000368439723 216248239 /nfs/dbraw/zinc/24/82/39/216248239.db2.gz XOXSIYVKCHNRLZ-IJEWVQPXSA-N 2 2 352.479 0.605 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000368439723 216248240 /nfs/dbraw/zinc/24/82/40/216248240.db2.gz XOXSIYVKCHNRLZ-IJEWVQPXSA-N 2 2 352.479 0.605 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@H]1CC ZINC000368642650 216275307 /nfs/dbraw/zinc/27/53/07/216275307.db2.gz LDBCGRSYMRVWGE-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@H]1CC ZINC000368642650 216275310 /nfs/dbraw/zinc/27/53/10/216275310.db2.gz LDBCGRSYMRVWGE-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C[C@H]1CC ZINC000368642650 216275312 /nfs/dbraw/zinc/27/53/12/216275312.db2.gz LDBCGRSYMRVWGE-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C[C@H]1CC ZINC000368642650 216275314 /nfs/dbraw/zinc/27/53/14/216275314.db2.gz LDBCGRSYMRVWGE-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000931281202 674107083 /nfs/dbraw/zinc/10/70/83/674107083.db2.gz NDVNFHZCQGDOGC-FOLVSLTJSA-N 2 2 352.460 0.154 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@H]21 ZINC000931281202 674107086 /nfs/dbraw/zinc/10/70/86/674107086.db2.gz NDVNFHZCQGDOGC-FOLVSLTJSA-N 2 2 352.460 0.154 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051712 216339532 /nfs/dbraw/zinc/33/95/32/216339532.db2.gz YNCYYYHXEKJCLV-ROUUACIJSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051712 216339535 /nfs/dbraw/zinc/33/95/35/216339535.db2.gz YNCYYYHXEKJCLV-ROUUACIJSA-N 2 2 359.474 0.772 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169759 216358103 /nfs/dbraw/zinc/35/81/03/216358103.db2.gz INGSOBUAYFTUDM-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169759 216358105 /nfs/dbraw/zinc/35/81/05/216358105.db2.gz INGSOBUAYFTUDM-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000190707728 209276544 /nfs/dbraw/zinc/27/65/44/209276544.db2.gz KKWXRDXFQHJWOQ-QZTJIDSGSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275132 216377334 /nfs/dbraw/zinc/37/73/34/216377334.db2.gz VVFSGGFTRXAUGH-DHSIGJKJSA-N 2 2 366.531 0.725 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275132 216377335 /nfs/dbraw/zinc/37/73/35/216377335.db2.gz VVFSGGFTRXAUGH-DHSIGJKJSA-N 2 2 366.531 0.725 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(=O)Nc3cccnc3)C2)CC1 ZINC000369371202 216391323 /nfs/dbraw/zinc/39/13/23/216391323.db2.gz TYYLOCUJCMVATL-HNNXBMFYSA-N 2 2 360.462 0.488 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(=O)Nc3cccnc3)C2)CC1 ZINC000369371202 216391325 /nfs/dbraw/zinc/39/13/25/216391325.db2.gz TYYLOCUJCMVATL-HNNXBMFYSA-N 2 2 360.462 0.488 20 0 FCADLP CC(=O)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372419 216392075 /nfs/dbraw/zinc/39/20/75/216392075.db2.gz IZDFPRUIQOEGTH-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP CC(=O)N1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372419 216392078 /nfs/dbraw/zinc/39/20/78/216392078.db2.gz IZDFPRUIQOEGTH-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000189892373 209263886 /nfs/dbraw/zinc/26/38/86/209263886.db2.gz RFPXBLJBSHHBLW-UHFFFAOYSA-N 2 2 369.469 0.813 20 0 FCADLP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000189478784 209251632 /nfs/dbraw/zinc/25/16/32/209251632.db2.gz NXFIJNQXTOAKGQ-UHFFFAOYSA-N 2 2 362.474 0.603 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000188945310 209243204 /nfs/dbraw/zinc/24/32/04/209243204.db2.gz OSYLIRRXZMFLOJ-IAGOWNOFSA-N 2 2 369.554 0.357 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000188945310 209243207 /nfs/dbraw/zinc/24/32/07/209243207.db2.gz OSYLIRRXZMFLOJ-IAGOWNOFSA-N 2 2 369.554 0.357 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000188551440 209232779 /nfs/dbraw/zinc/23/27/79/209232779.db2.gz SWFBVBRQHULRBM-OWCLPIDISA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000188551440 209232781 /nfs/dbraw/zinc/23/27/81/209232781.db2.gz SWFBVBRQHULRBM-OWCLPIDISA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000188551466 209231670 /nfs/dbraw/zinc/23/16/70/209231670.db2.gz SWFBVBRQHULRBM-HRCADAONSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000188551466 209231674 /nfs/dbraw/zinc/23/16/74/209231674.db2.gz SWFBVBRQHULRBM-HRCADAONSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000188358156 209228636 /nfs/dbraw/zinc/22/86/36/209228636.db2.gz HNKSILKQTUZZLT-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000188358156 209228639 /nfs/dbraw/zinc/22/86/39/209228639.db2.gz HNKSILKQTUZZLT-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000188358156 209228642 /nfs/dbraw/zinc/22/86/42/209228642.db2.gz HNKSILKQTUZZLT-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000188358156 209228645 /nfs/dbraw/zinc/22/86/45/209228645.db2.gz HNKSILKQTUZZLT-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1c2nncn2CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276858470 212298185 /nfs/dbraw/zinc/29/81/85/212298185.db2.gz UFMIFLYPOSGKPG-HNNXBMFYSA-N 2 2 355.446 0.789 20 0 FCADLP C[C@H]1c2nncn2CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276858470 212298190 /nfs/dbraw/zinc/29/81/90/212298190.db2.gz UFMIFLYPOSGKPG-HNNXBMFYSA-N 2 2 355.446 0.789 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCOCC2)C[C@H](C)O1 ZINC000186855969 209199558 /nfs/dbraw/zinc/19/95/58/209199558.db2.gz GTFVNJJVTNLQSB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCOCC2)C[C@H](C)O1 ZINC000186855969 209199562 /nfs/dbraw/zinc/19/95/62/209199562.db2.gz GTFVNJJVTNLQSB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000186855969 209199553 /nfs/dbraw/zinc/19/95/53/209199553.db2.gz GTFVNJJVTNLQSB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000186855969 209199555 /nfs/dbraw/zinc/19/95/55/209199555.db2.gz GTFVNJJVTNLQSB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186611705 209192457 /nfs/dbraw/zinc/19/24/57/209192457.db2.gz LJUQFHQPBSKISA-HNNXBMFYSA-N 2 2 355.442 0.768 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415015957 245341891 /nfs/dbraw/zinc/34/18/91/245341891.db2.gz BPLYQQJDQDGPMF-ZDUSSCGKSA-N 2 2 369.491 0.482 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000415299910 245382662 /nfs/dbraw/zinc/38/26/62/245382662.db2.gz ITIZYIKCRNKVTQ-YOEHRIQHSA-N 2 2 360.458 0.887 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000184984622 209170655 /nfs/dbraw/zinc/17/06/55/209170655.db2.gz PBPWZEXAMDIEKA-CABCVRRESA-N 2 2 362.478 0.726 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000415343561 245393334 /nfs/dbraw/zinc/39/33/34/245393334.db2.gz LQJXKIVDQJHBML-HUUCEWRRSA-N 2 2 360.458 0.839 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000373499761 217025031 /nfs/dbraw/zinc/02/50/31/217025031.db2.gz AANMQFKDXPTZJN-GOSISDBHSA-N 2 2 352.523 0.583 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000373499761 217025033 /nfs/dbraw/zinc/02/50/33/217025033.db2.gz AANMQFKDXPTZJN-GOSISDBHSA-N 2 2 352.523 0.583 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000373499761 217025035 /nfs/dbraw/zinc/02/50/35/217025035.db2.gz AANMQFKDXPTZJN-GOSISDBHSA-N 2 2 352.523 0.583 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000373499761 217025038 /nfs/dbraw/zinc/02/50/38/217025038.db2.gz AANMQFKDXPTZJN-GOSISDBHSA-N 2 2 352.523 0.583 20 0 FCADLP COc1ccc(OC)c2c1C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]2O ZINC000275349447 212011162 /nfs/dbraw/zinc/01/11/62/212011162.db2.gz ZMBUTOTVNWWXSY-OAHLLOKOSA-N 2 2 363.458 0.717 20 0 FCADLP COc1ccc(OC)c2c1C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]2O ZINC000275349447 212011167 /nfs/dbraw/zinc/01/11/67/212011167.db2.gz ZMBUTOTVNWWXSY-OAHLLOKOSA-N 2 2 363.458 0.717 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000373505378 217026022 /nfs/dbraw/zinc/02/60/22/217026022.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000373505378 217026023 /nfs/dbraw/zinc/02/60/23/217026023.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373505378 217026033 /nfs/dbraw/zinc/02/60/33/217026033.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373505378 217026034 /nfs/dbraw/zinc/02/60/34/217026034.db2.gz SLSVHFXOYUGUAF-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373707900 217048482 /nfs/dbraw/zinc/04/84/82/217048482.db2.gz MLLVRUCIDPXHIF-CABCVRRESA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373707900 217048485 /nfs/dbraw/zinc/04/84/85/217048485.db2.gz MLLVRUCIDPXHIF-CABCVRRESA-N 2 2 353.511 0.663 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000374082328 217094361 /nfs/dbraw/zinc/09/43/61/217094361.db2.gz XGDVSRDXIAFZCX-OIISXLGYSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000374082328 217094366 /nfs/dbraw/zinc/09/43/66/217094366.db2.gz XGDVSRDXIAFZCX-OIISXLGYSA-N 2 2 363.506 0.608 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217585 217109709 /nfs/dbraw/zinc/10/97/09/217109709.db2.gz AHPDGFKYJPVALQ-QZTJIDSGSA-N 2 2 374.533 0.902 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217585 217109713 /nfs/dbraw/zinc/10/97/13/217109713.db2.gz AHPDGFKYJPVALQ-QZTJIDSGSA-N 2 2 374.533 0.902 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)CC1 ZINC000374797203 217175137 /nfs/dbraw/zinc/17/51/37/217175137.db2.gz WWKTYQRJCOIROM-UHFFFAOYSA-N 2 2 368.485 0.849 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)CC1 ZINC000374797203 217175139 /nfs/dbraw/zinc/17/51/39/217175139.db2.gz WWKTYQRJCOIROM-UHFFFAOYSA-N 2 2 368.485 0.849 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1-n1cnnn1 ZINC000183232801 209144123 /nfs/dbraw/zinc/14/41/23/209144123.db2.gz HTRXCFXOGVAVBJ-UHFFFAOYSA-N 2 2 373.461 0.427 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417316092 245683814 /nfs/dbraw/zinc/68/38/14/245683814.db2.gz DOLIBFZMVPRFGM-OAHLLOKOSA-N 2 2 350.463 0.792 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000376246194 217374756 /nfs/dbraw/zinc/37/47/56/217374756.db2.gz CRJPRWLSIBMPSR-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000376246194 217374758 /nfs/dbraw/zinc/37/47/58/217374758.db2.gz CRJPRWLSIBMPSR-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000376246192 217375131 /nfs/dbraw/zinc/37/51/31/217375131.db2.gz CRJPRWLSIBMPSR-WNRNVDISSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000376246192 217375133 /nfs/dbraw/zinc/37/51/33/217375133.db2.gz CRJPRWLSIBMPSR-WNRNVDISSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000376319017 217384011 /nfs/dbraw/zinc/38/40/11/217384011.db2.gz CEFWVTFHSANELJ-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419121974 245997792 /nfs/dbraw/zinc/99/77/92/245997792.db2.gz SRFAIBURDDCFAR-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419153194 246019331 /nfs/dbraw/zinc/01/93/31/246019331.db2.gz OQIGQWRSJICIFW-UHFFFAOYSA-N 2 2 355.442 0.564 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000419151896 246020258 /nfs/dbraw/zinc/02/02/58/246020258.db2.gz MSKIZCNARLVCFK-INIZCTEOSA-N 2 2 355.442 0.692 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)c[nH+]2)CC1 ZINC000419196940 246045798 /nfs/dbraw/zinc/04/57/98/246045798.db2.gz AJQHGDGFWJXKIY-OAHLLOKOSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000419212340 246057012 /nfs/dbraw/zinc/05/70/12/246057012.db2.gz ZSVRPEKLSLGUJL-GDBMZVCRSA-N 2 2 359.474 0.741 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c[nH+]2)CC1 ZINC000419199298 246048337 /nfs/dbraw/zinc/04/83/37/246048337.db2.gz CUVZTTQFISTJBA-UHFFFAOYSA-N 2 2 369.416 0.644 20 0 FCADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@H]12 ZINC000419277634 246085679 /nfs/dbraw/zinc/08/56/79/246085679.db2.gz MGZXVSOORSQBPH-OKZBNKHCSA-N 2 2 367.453 0.743 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419287427 246087668 /nfs/dbraw/zinc/08/76/68/246087668.db2.gz WKZOIHLIRKLOOO-QGZVFWFLSA-N 2 2 355.442 0.887 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419240768 246073054 /nfs/dbraw/zinc/07/30/54/246073054.db2.gz PLWKKBNIDJVYJZ-UHFFFAOYSA-N 2 2 355.442 0.943 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419237218 246075524 /nfs/dbraw/zinc/07/55/24/246075524.db2.gz OICXUGSYJCNMQF-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419237218 246075529 /nfs/dbraw/zinc/07/55/29/246075529.db2.gz OICXUGSYJCNMQF-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H](C)[NH2+]1 ZINC000419268990 246080685 /nfs/dbraw/zinc/08/06/85/246080685.db2.gz AVSGVEGVBXRFKN-HUUCEWRRSA-N 2 2 355.442 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)[NH2+]1 ZINC000419266867 246081396 /nfs/dbraw/zinc/08/13/96/246081396.db2.gz ICVYQSHOIJMFGJ-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419303063 246092096 /nfs/dbraw/zinc/09/20/96/246092096.db2.gz HIQXZWRMUXLGTL-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)[nH+]c1 ZINC000419297151 246089072 /nfs/dbraw/zinc/08/90/72/246089072.db2.gz FVYYDNZJYDXVJF-CALCHBBNSA-N 2 2 371.485 0.828 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419303879 246090275 /nfs/dbraw/zinc/09/02/75/246090275.db2.gz ISMVSCDPLPTMTE-LSDHHAIUSA-N 2 2 359.474 0.897 20 0 FCADLP [NH3+]CCNC(=O)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000419355489 246114944 /nfs/dbraw/zinc/11/49/44/246114944.db2.gz NFFSVOJZZSODOZ-CYBMUJFWSA-N 2 2 356.829 0.807 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419412649 246147546 /nfs/dbraw/zinc/14/75/46/246147546.db2.gz CRVJOEJTNBITQJ-IKGGRYGDSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000419401185 246137589 /nfs/dbraw/zinc/13/75/89/246137589.db2.gz OMWPGFVKIDBUKA-INIZCTEOSA-N 2 2 362.499 0.152 20 0 FCADLP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000419401185 246137592 /nfs/dbraw/zinc/13/75/92/246137592.db2.gz OMWPGFVKIDBUKA-INIZCTEOSA-N 2 2 362.499 0.152 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419450715 246169745 /nfs/dbraw/zinc/16/97/45/246169745.db2.gz LZEGNJDCTMXYFT-SJORKVTESA-N 2 2 373.501 0.134 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419677344 246242594 /nfs/dbraw/zinc/24/25/94/246242594.db2.gz COESNNJCOIVKOY-CVEARBPZSA-N 2 2 368.522 0.640 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000419680665 246246106 /nfs/dbraw/zinc/24/61/06/246246106.db2.gz HPRUUTJRPLLQSV-SOUVJXGZSA-N 2 2 354.495 0.106 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419801588 246299676 /nfs/dbraw/zinc/29/96/76/246299676.db2.gz KJMNZTWHJUTYMI-HNNXBMFYSA-N 2 2 361.490 0.979 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419871320 246338903 /nfs/dbraw/zinc/33/89/03/246338903.db2.gz CIBKOUIYVHTEMM-AWEZNQCLSA-N 2 2 350.488 0.508 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)c1 ZINC000419832337 246311196 /nfs/dbraw/zinc/31/11/96/246311196.db2.gz NRMRORUYNYNIGM-HNNXBMFYSA-N 2 2 362.474 0.756 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419846040 246317780 /nfs/dbraw/zinc/31/77/80/246317780.db2.gz QUMPCBLPVFWRBI-MOTZXUDYSA-N 2 2 356.470 0.712 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000419855556 246326382 /nfs/dbraw/zinc/32/63/82/246326382.db2.gz CYUGNKXATMVFBK-NCRRVARUSA-N 2 2 356.470 0.698 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858027 246328277 /nfs/dbraw/zinc/32/82/77/246328277.db2.gz KXUJRPXPHLVXBK-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858027 246328283 /nfs/dbraw/zinc/32/82/83/246328283.db2.gz KXUJRPXPHLVXBK-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419861793 246331089 /nfs/dbraw/zinc/33/10/89/246331089.db2.gz PVLVKSZRVLVYDM-STISFXCESA-N 2 2 370.497 0.960 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419862247 246332296 /nfs/dbraw/zinc/33/22/96/246332296.db2.gz QDNPFMGTHCGQGT-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419862247 246332302 /nfs/dbraw/zinc/33/23/02/246332302.db2.gz QDNPFMGTHCGQGT-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419914949 246366248 /nfs/dbraw/zinc/36/62/48/246366248.db2.gz OODXKYDKBZIYHN-QGZVFWFLSA-N 2 2 374.485 0.325 20 0 FCADLP O=C(NCC1C[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419920259 246369197 /nfs/dbraw/zinc/36/91/97/246369197.db2.gz FYAKEHAREHIDHW-UHFFFAOYSA-N 2 2 364.877 0.710 20 0 FCADLP O=C(NCC1C[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419920259 246369200 /nfs/dbraw/zinc/36/92/00/246369200.db2.gz FYAKEHAREHIDHW-UHFFFAOYSA-N 2 2 364.877 0.710 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419877292 246343599 /nfs/dbraw/zinc/34/35/99/246343599.db2.gz PSCHACFSIFOJQV-KBPBESRZSA-N 2 2 350.488 0.778 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419877238 246343735 /nfs/dbraw/zinc/34/37/35/246343735.db2.gz YBPHUZPNTNXUEB-WFASDCNBSA-N 2 2 350.488 0.807 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419886806 246351820 /nfs/dbraw/zinc/35/18/20/246351820.db2.gz IGUTUTJJBIZWCH-GNJLHFKMSA-N 2 2 356.470 0.712 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419886809 246353104 /nfs/dbraw/zinc/35/31/04/246353104.db2.gz IGUTUTJJBIZWCH-KRZKXXONSA-N 2 2 356.470 0.712 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419894619 246356251 /nfs/dbraw/zinc/35/62/51/246356251.db2.gz NWFHVXDTCDHLGI-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419894619 246356253 /nfs/dbraw/zinc/35/62/53/246356253.db2.gz NWFHVXDTCDHLGI-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420176260 246512650 /nfs/dbraw/zinc/51/26/50/246512650.db2.gz PTVZEERYCOTINE-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000420382379 246554392 /nfs/dbraw/zinc/55/43/92/246554392.db2.gz PRPOYTHWFOWBCJ-SMDDNHRTSA-N 2 2 368.503 0.806 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000420382379 246554396 /nfs/dbraw/zinc/55/43/96/246554396.db2.gz PRPOYTHWFOWBCJ-SMDDNHRTSA-N 2 2 368.503 0.806 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000423344422 247008692 /nfs/dbraw/zinc/00/86/92/247008692.db2.gz MTZGBXRKVHXJKA-CPUCHLNUSA-N 2 2 363.458 0.802 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423308097 247000687 /nfs/dbraw/zinc/00/06/87/247000687.db2.gz IRAMNWGPLONKIF-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423308097 247000692 /nfs/dbraw/zinc/00/06/92/247000692.db2.gz IRAMNWGPLONKIF-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423314126 247003366 /nfs/dbraw/zinc/00/33/66/247003366.db2.gz GPCFBJXDBYXNBI-HNNXBMFYSA-N 2 2 361.490 0.730 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423315871 247003501 /nfs/dbraw/zinc/00/35/01/247003501.db2.gz XSFNDBQLRQSCEE-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423315871 247003506 /nfs/dbraw/zinc/00/35/06/247003506.db2.gz XSFNDBQLRQSCEE-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000423314153 247003807 /nfs/dbraw/zinc/00/38/07/247003807.db2.gz GRTKWHWEJHSGIL-IRXDYDNUSA-N 2 2 373.501 0.745 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423546719 247048658 /nfs/dbraw/zinc/04/86/58/247048658.db2.gz KPOHZUGWJJSVGE-ZFWWWQNUSA-N 2 2 353.488 0.750 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423583323 247060978 /nfs/dbraw/zinc/06/09/78/247060978.db2.gz AKTCWBMFZLQWIN-FUHWJXTLSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423583323 247060982 /nfs/dbraw/zinc/06/09/82/247060982.db2.gz AKTCWBMFZLQWIN-FUHWJXTLSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423489994 247038619 /nfs/dbraw/zinc/03/86/19/247038619.db2.gz HDVMPJCSYLWMMQ-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423612750 247074488 /nfs/dbraw/zinc/07/44/88/247074488.db2.gz OONAMGZWCJSGKQ-KRWDZBQOSA-N 2 2 374.485 0.420 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657295 247097669 /nfs/dbraw/zinc/09/76/69/247097669.db2.gz VQWHGWYHYZZUQS-JZXOWHBKSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657295 247097676 /nfs/dbraw/zinc/09/76/76/247097676.db2.gz VQWHGWYHYZZUQS-JZXOWHBKSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423662403 247099483 /nfs/dbraw/zinc/09/94/83/247099483.db2.gz FKDZELAWJKRVEV-UONOGXRCSA-N 2 2 350.488 0.588 20 0 FCADLP CCCN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@H]1CC[NH2+]C1 ZINC000423663182 247101269 /nfs/dbraw/zinc/10/12/69/247101269.db2.gz OEUYNVWFOWXNFD-HOTGVXAUSA-N 2 2 361.490 0.802 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423750355 247138299 /nfs/dbraw/zinc/13/82/99/247138299.db2.gz USWYQUYGYJQHFT-OAHLLOKOSA-N 2 2 364.515 0.993 20 0 FCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000423782415 247141696 /nfs/dbraw/zinc/14/16/96/247141696.db2.gz ZJZIIKVXLCUROG-HNNXBMFYSA-N 2 2 362.478 0.193 20 0 FCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000423782415 247141702 /nfs/dbraw/zinc/14/17/02/247141702.db2.gz ZJZIIKVXLCUROG-HNNXBMFYSA-N 2 2 362.478 0.193 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423915561 247150815 /nfs/dbraw/zinc/15/08/15/247150815.db2.gz MDYIHZQBWOMUOI-HOSILWTGSA-N 2 2 353.442 0.168 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423719302 247125042 /nfs/dbraw/zinc/12/50/42/247125042.db2.gz COSLPJVQOMDFIX-RYRKJORJSA-N 2 2 373.501 0.873 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423719297 247125260 /nfs/dbraw/zinc/12/52/60/247125260.db2.gz COSLPJVQOMDFIX-JFIYKMOQSA-N 2 2 373.501 0.873 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000423732187 247130640 /nfs/dbraw/zinc/13/06/40/247130640.db2.gz ZWICZADANIHBAN-HUUCEWRRSA-N 2 2 362.478 0.215 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423739848 247134954 /nfs/dbraw/zinc/13/49/54/247134954.db2.gz WLUAERTZIHALFO-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000424139934 247171450 /nfs/dbraw/zinc/17/14/50/247171450.db2.gz AQDDFNIAHZXGEV-JKSUJKDBSA-N 2 2 362.478 0.530 20 0 FCADLP CCOC(=O)CNC(=O)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425337633 247326432 /nfs/dbraw/zinc/32/64/32/247326432.db2.gz ODKGTTKTKOEORC-UHFFFAOYSA-N 2 2 351.451 0.377 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000425393725 247331764 /nfs/dbraw/zinc/33/17/64/247331764.db2.gz DRJJTBIRQLAPMQ-MWDXBVQZSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000425393725 247331766 /nfs/dbraw/zinc/33/17/66/247331766.db2.gz DRJJTBIRQLAPMQ-MWDXBVQZSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000425393724 247333426 /nfs/dbraw/zinc/33/34/26/247333426.db2.gz DRJJTBIRQLAPMQ-LUKYLMHMSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000425393724 247333428 /nfs/dbraw/zinc/33/34/28/247333428.db2.gz DRJJTBIRQLAPMQ-LUKYLMHMSA-N 2 2 359.474 0.845 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000425406671 247336005 /nfs/dbraw/zinc/33/60/05/247336005.db2.gz UELBQQIYQBLACK-NRFANRHFSA-N 2 2 370.497 0.885 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000425406671 247336008 /nfs/dbraw/zinc/33/60/08/247336008.db2.gz UELBQQIYQBLACK-NRFANRHFSA-N 2 2 370.497 0.885 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000425451989 247343133 /nfs/dbraw/zinc/34/31/33/247343133.db2.gz MYKOORLFTDKOHP-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP COCC(C)(C)[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000425211594 247305147 /nfs/dbraw/zinc/30/51/47/247305147.db2.gz XXMDSPKMTMVSNB-UHFFFAOYSA-N 2 2 363.524 0.081 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CCCC1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562804 248000163 /nfs/dbraw/zinc/00/01/63/248000163.db2.gz JJULBTKBUQNVLX-OAHLLOKOSA-N 2 2 359.474 0.996 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCOCC1 ZINC000435546838 248000184 /nfs/dbraw/zinc/00/01/84/248000184.db2.gz XTGLKSOHVWIIFU-OAHLLOKOSA-N 2 2 352.483 0.642 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000435580968 248001965 /nfs/dbraw/zinc/00/19/65/248001965.db2.gz SWMCZFLITBCWHH-IXDOHACOSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000435580968 248001968 /nfs/dbraw/zinc/00/19/68/248001968.db2.gz SWMCZFLITBCWHH-IXDOHACOSA-N 2 2 356.511 0.441 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000435796884 248019689 /nfs/dbraw/zinc/01/96/89/248019689.db2.gz IZCOUUKRBMMECN-INIZCTEOSA-N 2 2 355.479 0.585 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000435796884 248019692 /nfs/dbraw/zinc/01/96/92/248019692.db2.gz IZCOUUKRBMMECN-INIZCTEOSA-N 2 2 355.479 0.585 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000436047258 248029378 /nfs/dbraw/zinc/02/93/78/248029378.db2.gz DJLKESUVITVWHC-CQSZACIVSA-N 2 2 373.457 0.291 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000436047258 248029381 /nfs/dbraw/zinc/02/93/81/248029381.db2.gz DJLKESUVITVWHC-CQSZACIVSA-N 2 2 373.457 0.291 20 0 FCADLP C[C@H]1[NH2+]CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000436060856 248030484 /nfs/dbraw/zinc/03/04/84/248030484.db2.gz GOEIAEHJNLMIOI-SJORKVTESA-N 2 2 372.513 0.948 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000436059774 248031272 /nfs/dbraw/zinc/03/12/72/248031272.db2.gz LLRZYAUAJHDHEM-DOTOQJQBSA-N 2 2 374.485 0.946 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000436059774 248031273 /nfs/dbraw/zinc/03/12/73/248031273.db2.gz LLRZYAUAJHDHEM-DOTOQJQBSA-N 2 2 374.485 0.946 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000436059777 248031595 /nfs/dbraw/zinc/03/15/95/248031595.db2.gz LLRZYAUAJHDHEM-WBVHZDCISA-N 2 2 374.485 0.946 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000436059777 248031599 /nfs/dbraw/zinc/03/15/99/248031599.db2.gz LLRZYAUAJHDHEM-WBVHZDCISA-N 2 2 374.485 0.946 20 0 FCADLP CC[C@H](SC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000437221279 248059717 /nfs/dbraw/zinc/05/97/17/248059717.db2.gz KUDBQFMLKZYAEP-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000440980608 248229609 /nfs/dbraw/zinc/22/96/09/248229609.db2.gz NHUSXZSSXJUNBM-QGZVFWFLSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000440980608 248229612 /nfs/dbraw/zinc/22/96/12/248229612.db2.gz NHUSXZSSXJUNBM-QGZVFWFLSA-N 2 2 368.570 0.195 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000442778545 248297645 /nfs/dbraw/zinc/29/76/45/248297645.db2.gz GKPGWIBQERVXGU-DGCLKSJQSA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000442778545 248297646 /nfs/dbraw/zinc/29/76/46/248297646.db2.gz GKPGWIBQERVXGU-DGCLKSJQSA-N 2 2 354.476 0.558 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789301 248297707 /nfs/dbraw/zinc/29/77/07/248297707.db2.gz JXSDTOSKYPCFRA-UONOGXRCSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789301 248297709 /nfs/dbraw/zinc/29/77/09/248297709.db2.gz JXSDTOSKYPCFRA-UONOGXRCSA-N 2 2 368.503 0.853 20 0 FCADLP COCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000446075618 248382375 /nfs/dbraw/zinc/38/23/75/248382375.db2.gz ZVWMDYRSWBUGNC-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP COCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000446075618 248382377 /nfs/dbraw/zinc/38/23/77/248382377.db2.gz ZVWMDYRSWBUGNC-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271515649 211412536 /nfs/dbraw/zinc/41/25/36/211412536.db2.gz UDFXEIUNWPXDCM-HUUCEWRRSA-N 2 2 362.478 0.396 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270555333 211224011 /nfs/dbraw/zinc/22/40/11/211224011.db2.gz HONIDPBYMPHHLQ-HNNXBMFYSA-N 2 2 365.478 0.542 20 0 FCADLP C[NH+](C)CCOCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000471644905 250111269 /nfs/dbraw/zinc/11/12/69/250111269.db2.gz WYSSPWSIXPLNDG-UHFFFAOYSA-N 2 2 374.489 0.740 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000471652703 250113255 /nfs/dbraw/zinc/11/32/55/250113255.db2.gz LHOMJJQAXBDUOC-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000472232073 250139296 /nfs/dbraw/zinc/13/92/96/250139296.db2.gz RTPZRDCZHPRXPR-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000472232073 250139298 /nfs/dbraw/zinc/13/92/98/250139298.db2.gz RTPZRDCZHPRXPR-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000473171880 250205377 /nfs/dbraw/zinc/20/53/77/250205377.db2.gz NTZGPHLWLOEDFE-UHFFFAOYSA-N 2 2 355.527 0.914 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000473171880 250205382 /nfs/dbraw/zinc/20/53/82/250205382.db2.gz NTZGPHLWLOEDFE-UHFFFAOYSA-N 2 2 355.527 0.914 20 0 FCADLP CO[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000474152868 250273694 /nfs/dbraw/zinc/27/36/94/250273694.db2.gz LHDPISCTULQMRM-SFHVURJKSA-N 2 2 368.522 0.354 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000480879972 250290495 /nfs/dbraw/zinc/29/04/95/250290495.db2.gz LREBMAIVJLBXCP-STQMWFEESA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000480879972 250290499 /nfs/dbraw/zinc/29/04/99/250290499.db2.gz LREBMAIVJLBXCP-STQMWFEESA-N 2 2 357.524 0.775 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000480937550 250298419 /nfs/dbraw/zinc/29/84/19/250298419.db2.gz OJOGUPXTJKFAHM-IXDOHACOSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000480937550 250298423 /nfs/dbraw/zinc/29/84/23/250298423.db2.gz OJOGUPXTJKFAHM-IXDOHACOSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000481284762 250328237 /nfs/dbraw/zinc/32/82/37/250328237.db2.gz OYJVINXXJLIORO-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000481284762 250328241 /nfs/dbraw/zinc/32/82/41/250328241.db2.gz OYJVINXXJLIORO-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000481284762 250328245 /nfs/dbraw/zinc/32/82/45/250328245.db2.gz OYJVINXXJLIORO-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000481284762 250328251 /nfs/dbraw/zinc/32/82/51/250328251.db2.gz OYJVINXXJLIORO-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000482624624 250395967 /nfs/dbraw/zinc/39/59/67/250395967.db2.gz AFJQFFJUPMOTTJ-GOEBONIOSA-N 2 2 371.503 0.281 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853237 250368011 /nfs/dbraw/zinc/36/80/11/250368011.db2.gz NSWJGSFVGBOOGI-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853237 250368014 /nfs/dbraw/zinc/36/80/14/250368014.db2.gz NSWJGSFVGBOOGI-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000481853237 250368016 /nfs/dbraw/zinc/36/80/16/250368016.db2.gz NSWJGSFVGBOOGI-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000481853237 250368018 /nfs/dbraw/zinc/36/80/18/250368018.db2.gz NSWJGSFVGBOOGI-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cnc3n(c2=O)CCS3)CC1 ZINC000482013141 250375222 /nfs/dbraw/zinc/37/52/22/250375222.db2.gz FPHBEXDFBCQDCQ-UHFFFAOYSA-N 2 2 351.476 0.105 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413323943 532992210 /nfs/dbraw/zinc/99/22/10/532992210.db2.gz IWXPYXFNPYMPSZ-OAHLLOKOSA-N 2 2 351.451 0.718 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413323943 532992213 /nfs/dbraw/zinc/99/22/13/532992213.db2.gz IWXPYXFNPYMPSZ-OAHLLOKOSA-N 2 2 351.451 0.718 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073667618 208048725 /nfs/dbraw/zinc/04/87/25/208048725.db2.gz JQPHWPSDIBELQM-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP CC(C)(CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000077333992 208073244 /nfs/dbraw/zinc/07/32/44/208073244.db2.gz UIZGQUMYMUGCEQ-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000078647888 208082198 /nfs/dbraw/zinc/08/21/98/208082198.db2.gz UBBBTMCPTRJGIK-ICSRJNTNSA-N 2 2 373.545 0.727 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000079432720 208088410 /nfs/dbraw/zinc/08/84/10/208088410.db2.gz VLIBDGIDUHAPNG-GOSISDBHSA-N 2 2 373.501 0.895 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000079432720 208088412 /nfs/dbraw/zinc/08/84/12/208088412.db2.gz VLIBDGIDUHAPNG-GOSISDBHSA-N 2 2 373.501 0.895 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000079072567 208088619 /nfs/dbraw/zinc/08/86/19/208088619.db2.gz GDROZWBNGJQFEB-AWEZNQCLSA-N 2 2 353.511 0.711 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1=O ZINC000091211986 208135394 /nfs/dbraw/zinc/13/53/94/208135394.db2.gz XDSLFTOIQJRDNQ-MRXNPFEDSA-N 2 2 355.442 0.899 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000083692761 208109266 /nfs/dbraw/zinc/10/92/66/208109266.db2.gz CJOPNBWKNLGNCO-ROUUACIJSA-N 2 2 364.490 0.624 20 0 FCADLP C[C@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000097359527 208159785 /nfs/dbraw/zinc/15/97/85/208159785.db2.gz NRGZFXGAWOZJQO-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000097359527 208159789 /nfs/dbraw/zinc/15/97/89/208159789.db2.gz NRGZFXGAWOZJQO-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000093159312 208155709 /nfs/dbraw/zinc/15/57/09/208155709.db2.gz UNVYLQOCBVZNAZ-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnc2ccccn21 ZINC000105086257 208190824 /nfs/dbraw/zinc/19/08/24/208190824.db2.gz CQJOMORSSJAHPA-UHFFFAOYSA-N 2 2 359.478 0.897 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnc2ccccn21 ZINC000105086257 208190829 /nfs/dbraw/zinc/19/08/29/208190829.db2.gz CQJOMORSSJAHPA-UHFFFAOYSA-N 2 2 359.478 0.897 20 0 FCADLP C[C@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@H+](C)C1CC1 ZINC000105268480 208198108 /nfs/dbraw/zinc/19/81/08/208198108.db2.gz DCVCSNWSQOAQHH-CYBMUJFWSA-N 2 2 372.477 0.678 20 0 FCADLP C[C@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@@H+](C)C1CC1 ZINC000105268480 208198119 /nfs/dbraw/zinc/19/81/19/208198119.db2.gz DCVCSNWSQOAQHH-CYBMUJFWSA-N 2 2 372.477 0.678 20 0 FCADLP Cc1cccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000106041341 208205621 /nfs/dbraw/zinc/20/56/21/208205621.db2.gz YGODEPHIYWNFBD-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(N)=O ZINC000106444454 208223662 /nfs/dbraw/zinc/22/36/62/208223662.db2.gz DVACLDCAVSXYRP-KRWDZBQOSA-N 2 2 362.474 0.947 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000110195906 208266587 /nfs/dbraw/zinc/26/65/87/208266587.db2.gz CRHQHMKFQUBGGY-AWEZNQCLSA-N 2 2 362.478 0.308 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000110195906 208266595 /nfs/dbraw/zinc/26/65/95/208266595.db2.gz CRHQHMKFQUBGGY-AWEZNQCLSA-N 2 2 362.478 0.308 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000112215884 208293284 /nfs/dbraw/zinc/29/32/84/208293284.db2.gz GCDDGAGFIUZFLN-RCCFBDPRSA-N 2 2 368.522 0.849 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3C)c2)CC1 ZINC000118105346 208348569 /nfs/dbraw/zinc/34/85/69/208348569.db2.gz ZRDOYHLVSRAVDR-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000118105346 208348572 /nfs/dbraw/zinc/34/85/72/208348572.db2.gz ZRDOYHLVSRAVDR-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000118872181 208351914 /nfs/dbraw/zinc/35/19/14/208351914.db2.gz BXBMXLQBLIZTJE-UHFFFAOYSA-N 2 2 359.518 0.411 20 0 FCADLP C[C@@]1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCC[NH2+]C1 ZINC000120289832 208379931 /nfs/dbraw/zinc/37/99/31/208379931.db2.gz KYCJRCKDAUQBOO-YLJYHZDGSA-N 2 2 361.486 0.960 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)c1 ZINC000409450223 533067217 /nfs/dbraw/zinc/06/72/17/533067217.db2.gz LAYRYJVVYRLWBD-OAHLLOKOSA-N 2 2 351.447 0.769 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000266496926 210346324 /nfs/dbraw/zinc/34/63/24/210346324.db2.gz JZHZRHOKZZBVKW-UHFFFAOYSA-N 2 2 364.494 0.824 20 0 FCADLP [NH3+][C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)[C@@H]2CC[C@H]1C2 ZINC000168288310 208863791 /nfs/dbraw/zinc/86/37/91/208863791.db2.gz BHELIRIAXSRRKZ-QQBOBMDFSA-N 2 2 373.497 0.944 20 0 FCADLP COCCOc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccn1 ZINC000180520157 209097806 /nfs/dbraw/zinc/09/78/06/209097806.db2.gz DMMCHUNRWNRJIB-UHFFFAOYSA-N 2 2 350.463 0.863 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000167572551 533211253 /nfs/dbraw/zinc/21/12/53/533211253.db2.gz SAPKVGXLEMOEDM-HNNXBMFYSA-N 2 2 352.479 0.040 20 0 FCADLP NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177103570 209016527 /nfs/dbraw/zinc/01/65/27/209016527.db2.gz KVAITVSVYBLFRU-CYBMUJFWSA-N 2 2 350.448 0.272 20 0 FCADLP NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177103570 209016529 /nfs/dbraw/zinc/01/65/29/209016529.db2.gz KVAITVSVYBLFRU-CYBMUJFWSA-N 2 2 350.448 0.272 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000177147370 209017209 /nfs/dbraw/zinc/01/72/09/209017209.db2.gz ZPOUWTUFZHUDIR-HNNXBMFYSA-N 2 2 362.474 0.770 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000177136768 209018506 /nfs/dbraw/zinc/01/85/06/209018506.db2.gz LIHOWKCOTSFVQL-YOEHRIQHSA-N 2 2 354.520 0.583 20 0 FCADLP CCc1nc(CN2CC[NH+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)no1 ZINC000177299299 209021242 /nfs/dbraw/zinc/02/12/42/209021242.db2.gz MNEVMFYUTHCHFR-OAHLLOKOSA-N 2 2 364.494 0.302 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)c2ccccc2)CC1 ZINC000178732559 209060813 /nfs/dbraw/zinc/06/08/13/209060813.db2.gz DHHGQPKDJWGSBI-RBUKOAKNSA-N 2 2 357.502 0.091 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000178993270 209070516 /nfs/dbraw/zinc/07/05/16/209070516.db2.gz VKXOXFDYEGGJHY-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000178993270 209070519 /nfs/dbraw/zinc/07/05/19/209070519.db2.gz VKXOXFDYEGGJHY-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000179034301 209070391 /nfs/dbraw/zinc/07/03/91/209070391.db2.gz KZJDCJUPYOGYJW-OAHLLOKOSA-N 2 2 372.469 0.767 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000179034301 209070392 /nfs/dbraw/zinc/07/03/92/209070392.db2.gz KZJDCJUPYOGYJW-OAHLLOKOSA-N 2 2 372.469 0.767 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000167579576 533244561 /nfs/dbraw/zinc/24/45/61/533244561.db2.gz GAKBAOBQMULCAB-HNNXBMFYSA-N 2 2 350.507 0.968 20 0 FCADLP NC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109698988 132374248 /nfs/dbraw/zinc/37/42/48/132374248.db2.gz WCRHSVWQTOICPT-INIZCTEOSA-N 2 2 359.474 0.850 20 0 FCADLP NC(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109698988 132374249 /nfs/dbraw/zinc/37/42/49/132374249.db2.gz WCRHSVWQTOICPT-INIZCTEOSA-N 2 2 359.474 0.850 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175736091 229215664 /nfs/dbraw/zinc/21/56/64/229215664.db2.gz VTSBXGYQPPSHEW-ZBFHGGJFSA-N 2 2 353.467 0.162 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000194992462 229271404 /nfs/dbraw/zinc/27/14/04/229271404.db2.gz XCIHVRQAAKCWPB-OKZBNKHCSA-N 2 2 369.554 0.621 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000194992462 229271411 /nfs/dbraw/zinc/27/14/11/229271411.db2.gz XCIHVRQAAKCWPB-OKZBNKHCSA-N 2 2 369.554 0.621 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000194992462 229271417 /nfs/dbraw/zinc/27/14/17/229271417.db2.gz XCIHVRQAAKCWPB-OKZBNKHCSA-N 2 2 369.554 0.621 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000194992462 229271424 /nfs/dbraw/zinc/27/14/24/229271424.db2.gz XCIHVRQAAKCWPB-OKZBNKHCSA-N 2 2 369.554 0.621 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000409448383 230016515 /nfs/dbraw/zinc/01/65/15/230016515.db2.gz ICXRTOINQJKZOZ-IAGOWNOFSA-N 2 2 358.552 0.512 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497911 230103532 /nfs/dbraw/zinc/10/35/32/230103532.db2.gz LMNMRRZZAJNZRV-RDJZCZTQSA-N 2 2 373.501 0.896 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410497911 230103533 /nfs/dbraw/zinc/10/35/33/230103533.db2.gz LMNMRRZZAJNZRV-RDJZCZTQSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410702267 230198644 /nfs/dbraw/zinc/19/86/44/230198644.db2.gz WGNUVRSKNVRJOA-ZACQAIPSSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410702267 230198647 /nfs/dbraw/zinc/19/86/47/230198647.db2.gz WGNUVRSKNVRJOA-ZACQAIPSSA-N 2 2 364.490 0.005 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000410705084 230202852 /nfs/dbraw/zinc/20/28/52/230202852.db2.gz NYCDTAAVXCOOSO-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CN3CCNC3=O)CC2)CC1 ZINC000933590978 674262650 /nfs/dbraw/zinc/26/26/50/674262650.db2.gz NDJMDUMGAASLGV-OAHLLOKOSA-N 2 2 351.495 0.276 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000287384342 488864951 /nfs/dbraw/zinc/86/49/51/488864951.db2.gz QWVIPBQPRAZIFI-CKEIUWERSA-N 2 2 362.478 0.866 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000287384342 488864953 /nfs/dbraw/zinc/86/49/53/488864953.db2.gz QWVIPBQPRAZIFI-CKEIUWERSA-N 2 2 362.478 0.866 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000299677452 488866189 /nfs/dbraw/zinc/86/61/89/488866189.db2.gz UOWCWDCQPMFHPA-UHFFFAOYSA-N 2 2 374.533 0.477 20 0 FCADLP CCN1CC[NH+](CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000299677452 488866192 /nfs/dbraw/zinc/86/61/92/488866192.db2.gz UOWCWDCQPMFHPA-UHFFFAOYSA-N 2 2 374.533 0.477 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000363648388 488868337 /nfs/dbraw/zinc/86/83/37/488868337.db2.gz JNYXYLJIFHCFOO-SFHVURJKSA-N 2 2 370.563 0.338 20 0 FCADLP CN1CCN(c2cc(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)nc[nH+]2)CC1=O ZINC000363711469 488877623 /nfs/dbraw/zinc/87/76/23/488877623.db2.gz YVDZNGKTKPVYBV-CVEARBPZSA-N 2 2 374.489 0.810 20 0 FCADLP CC(C)c1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000302007181 488886729 /nfs/dbraw/zinc/88/67/29/488886729.db2.gz UNMYEYFEQXIGAY-UHFFFAOYSA-N 2 2 361.494 0.805 20 0 FCADLP COc1cc2[nH+]c(NCCC[N@@H+]3CCNC(=O)C3)nc(N)c2cc1OC ZINC000278677933 488889232 /nfs/dbraw/zinc/88/92/32/488889232.db2.gz GQQUQPWGNYNMMT-UHFFFAOYSA-N 2 2 360.418 0.463 20 0 FCADLP COc1cc2[nH+]c(NCCC[N@H+]3CCNC(=O)C3)nc(N)c2cc1OC ZINC000278677933 488889235 /nfs/dbraw/zinc/88/92/35/488889235.db2.gz GQQUQPWGNYNMMT-UHFFFAOYSA-N 2 2 360.418 0.463 20 0 FCADLP CN(C)c1nc(N2CCN(c3nc4c(cnn4C)c(N)[nH+]3)CC2)cc[nH+]1 ZINC000302899291 488893047 /nfs/dbraw/zinc/89/30/47/488893047.db2.gz SGACTHZFQMKPHE-UHFFFAOYSA-N 2 2 354.422 0.128 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870797 488894923 /nfs/dbraw/zinc/89/49/23/488894923.db2.gz XNOQWBITCNQNJI-ZIAGYGMSSA-N 2 2 363.510 0.816 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870797 488894926 /nfs/dbraw/zinc/89/49/26/488894926.db2.gz XNOQWBITCNQNJI-ZIAGYGMSSA-N 2 2 363.510 0.816 20 0 FCADLP COc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)cn1 ZINC000287776347 488904677 /nfs/dbraw/zinc/90/46/77/488904677.db2.gz RVZYKXGYGYXISQ-KBPBESRZSA-N 2 2 366.437 0.813 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H](C)O1 ZINC000278972693 488907964 /nfs/dbraw/zinc/90/79/64/488907964.db2.gz ZORMYJZZRAPFLX-GASCZTMLSA-N 2 2 362.478 0.300 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H](C)O1 ZINC000278972693 488907966 /nfs/dbraw/zinc/90/79/66/488907966.db2.gz ZORMYJZZRAPFLX-GASCZTMLSA-N 2 2 362.478 0.300 20 0 FCADLP CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364050083 488918360 /nfs/dbraw/zinc/91/83/60/488918360.db2.gz JAAHSMOFLKOWHE-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP CCN1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364050083 488918362 /nfs/dbraw/zinc/91/83/62/488918362.db2.gz JAAHSMOFLKOWHE-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000279331151 488932758 /nfs/dbraw/zinc/93/27/58/488932758.db2.gz QGEYWEZMXZQSRK-ZDUSSCGKSA-N 2 2 362.430 0.740 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000279331151 488932760 /nfs/dbraw/zinc/93/27/60/488932760.db2.gz QGEYWEZMXZQSRK-ZDUSSCGKSA-N 2 2 362.430 0.740 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000364274719 488942699 /nfs/dbraw/zinc/94/26/99/488942699.db2.gz UVRKOEMVZMXCNP-QZTJIDSGSA-N 2 2 351.491 0.668 20 0 FCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000364274719 488942702 /nfs/dbraw/zinc/94/27/02/488942702.db2.gz UVRKOEMVZMXCNP-QZTJIDSGSA-N 2 2 351.491 0.668 20 0 FCADLP CN(C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364289874 488944655 /nfs/dbraw/zinc/94/46/55/488944655.db2.gz KXJGZWSDVOTZER-YOEHRIQHSA-N 2 2 363.506 0.560 20 0 FCADLP CN(C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364289874 488944660 /nfs/dbraw/zinc/94/46/60/488944660.db2.gz KXJGZWSDVOTZER-YOEHRIQHSA-N 2 2 363.506 0.560 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000288117479 488945203 /nfs/dbraw/zinc/94/52/03/488945203.db2.gz XTIIEMJVSCYWNB-JKSUJKDBSA-N 2 2 373.501 0.886 20 0 FCADLP 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FCADLP COCC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000031096366 487753508 /nfs/dbraw/zinc/75/35/08/487753508.db2.gz KWSAMLTYFZNBTQ-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP O=C(NCCn1cc[nH+]c1)c1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000041816420 487842017 /nfs/dbraw/zinc/84/20/17/487842017.db2.gz JRRZNPKVOOFAFH-UHFFFAOYSA-N 2 2 352.398 0.940 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@H](O)C1 ZINC000042287022 487861129 /nfs/dbraw/zinc/86/11/29/487861129.db2.gz CQJYFGOULCKQPP-APWZRJJASA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@H](O)C1 ZINC000042287022 487861133 /nfs/dbraw/zinc/86/11/33/487861133.db2.gz CQJYFGOULCKQPP-APWZRJJASA-N 2 2 361.486 0.980 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCCn1cc[nH+]c1 ZINC000043310720 487896950 /nfs/dbraw/zinc/89/69/50/487896950.db2.gz CKFUEFBQXHUECD-UHFFFAOYSA-N 2 2 358.450 0.185 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000047027971 488007713 /nfs/dbraw/zinc/00/77/13/488007713.db2.gz JPNZKJJEMIRTFD-INIZCTEOSA-N 2 2 364.494 0.857 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000047027971 488007721 /nfs/dbraw/zinc/00/77/21/488007721.db2.gz JPNZKJJEMIRTFD-INIZCTEOSA-N 2 2 364.494 0.857 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000047597441 488037412 /nfs/dbraw/zinc/03/74/12/488037412.db2.gz KHUKEMCPONKSJX-UHFFFAOYSA-N 2 2 350.467 0.563 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1ccncc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048783888 488083188 /nfs/dbraw/zinc/08/31/88/488083188.db2.gz RYXOWRZZBALWBS-UHFFFAOYSA-N 2 2 361.471 0.718 20 0 FCADLP CC(=O)NC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000050990772 488119608 /nfs/dbraw/zinc/11/96/08/488119608.db2.gz WTHAABUZUVKHBN-OAHLLOKOSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760898 488144227 /nfs/dbraw/zinc/14/42/27/488144227.db2.gz HHXCJEXZRPIPBE-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760898 488144236 /nfs/dbraw/zinc/14/42/36/488144236.db2.gz HHXCJEXZRPIPBE-MRXNPFEDSA-N 2 2 367.538 0.565 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364489517 488965090 /nfs/dbraw/zinc/96/50/90/488965090.db2.gz GEASVHXAMHQVSD-GDBMZVCRSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364489517 488965091 /nfs/dbraw/zinc/96/50/91/488965091.db2.gz GEASVHXAMHQVSD-GDBMZVCRSA-N 2 2 353.511 0.663 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058970397 488287180 /nfs/dbraw/zinc/28/71/80/488287180.db2.gz MTANVCBTOIKQHW-CYBMUJFWSA-N 2 2 354.524 0.780 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058970397 488287183 /nfs/dbraw/zinc/28/71/83/488287183.db2.gz MTANVCBTOIKQHW-CYBMUJFWSA-N 2 2 354.524 0.780 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000066124649 488325395 /nfs/dbraw/zinc/32/53/95/488325395.db2.gz JRCQTMCCCHIODV-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000066124649 488325397 /nfs/dbraw/zinc/32/53/97/488325397.db2.gz JRCQTMCCCHIODV-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000068638322 488368628 /nfs/dbraw/zinc/36/86/28/488368628.db2.gz OQOGSKLWYWAHLV-UHFFFAOYSA-N 2 2 359.474 0.466 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069859158 488374103 /nfs/dbraw/zinc/37/41/03/488374103.db2.gz PVFMDWLINUXKSS-FUHWJXTLSA-N 2 2 366.506 0.110 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069859158 488374104 /nfs/dbraw/zinc/37/41/04/488374104.db2.gz PVFMDWLINUXKSS-FUHWJXTLSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)cn1 ZINC000071014746 488376379 /nfs/dbraw/zinc/37/63/79/488376379.db2.gz OSYOLKNCQGPDMW-CYBMUJFWSA-N 2 2 372.429 0.351 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C(N)=O)CC2)c1 ZINC000071088692 488376818 /nfs/dbraw/zinc/37/68/18/488376818.db2.gz HCJYKQVWYJSASD-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C(N)=O)CC2)c1 ZINC000071088692 488376819 /nfs/dbraw/zinc/37/68/19/488376819.db2.gz HCJYKQVWYJSASD-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073381759 488384348 /nfs/dbraw/zinc/38/43/48/488384348.db2.gz ZXPJAYBFKBZHCX-UHFFFAOYSA-N 2 2 373.501 0.218 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073381759 488384349 /nfs/dbraw/zinc/38/43/49/488384349.db2.gz ZXPJAYBFKBZHCX-UHFFFAOYSA-N 2 2 373.501 0.218 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000073589458 488384940 /nfs/dbraw/zinc/38/49/40/488384940.db2.gz KHMFCWMHJWPMEK-ROUUACIJSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000073589458 488384941 /nfs/dbraw/zinc/38/49/41/488384941.db2.gz KHMFCWMHJWPMEK-ROUUACIJSA-N 2 2 369.554 0.526 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073797204 488386443 /nfs/dbraw/zinc/38/64/43/488386443.db2.gz CODXFEKDGNRSRB-DLBZAZTESA-N 2 2 361.490 0.429 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073797204 488386444 /nfs/dbraw/zinc/38/64/44/488386444.db2.gz CODXFEKDGNRSRB-DLBZAZTESA-N 2 2 361.490 0.429 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000074086510 488387446 /nfs/dbraw/zinc/38/74/46/488387446.db2.gz QFLUVXOIGCTBCS-UHFFFAOYSA-N 2 2 367.538 0.914 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819493 491195330 /nfs/dbraw/zinc/19/53/30/491195330.db2.gz DTYXBCBTHWTXAD-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819493 491195334 /nfs/dbraw/zinc/19/53/34/491195334.db2.gz DTYXBCBTHWTXAD-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076317563 488403864 /nfs/dbraw/zinc/40/38/64/488403864.db2.gz SRMGSGBCKVKSFS-MRXNPFEDSA-N 2 2 372.469 0.810 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000076317563 488403866 /nfs/dbraw/zinc/40/38/66/488403866.db2.gz SRMGSGBCKVKSFS-MRXNPFEDSA-N 2 2 372.469 0.810 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000186128787 488404451 /nfs/dbraw/zinc/40/44/51/488404451.db2.gz ZZVXOHKOCRGVEG-IAGOWNOFSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000076492231 488405295 /nfs/dbraw/zinc/40/52/95/488405295.db2.gz WISXRJPHFOZDMF-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H]1C(=O)N(C)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000186556650 488407181 /nfs/dbraw/zinc/40/71/81/488407181.db2.gz HNHZWYPHZQMDFG-CQSZACIVSA-N 2 2 351.495 0.417 20 0 FCADLP Cc1ccc(CC[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000077314645 488410702 /nfs/dbraw/zinc/41/07/02/488410702.db2.gz KVRDBKFXFBVJSN-UHFFFAOYSA-N 2 2 366.531 0.647 20 0 FCADLP O=C(C[N@@H+]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)CC1)N1CCCC1 ZINC000077487920 488414685 /nfs/dbraw/zinc/41/46/85/488414685.db2.gz IPRMVSFMCKHFPK-UHFFFAOYSA-N 2 2 355.446 0.797 20 0 FCADLP O=C(C[N@H+]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)CC1)N1CCCC1 ZINC000077487920 488414686 /nfs/dbraw/zinc/41/46/86/488414686.db2.gz IPRMVSFMCKHFPK-UHFFFAOYSA-N 2 2 355.446 0.797 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077745931 488417279 /nfs/dbraw/zinc/41/72/79/488417279.db2.gz KQEQSSPPVCNZBP-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CCS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000190679673 488417959 /nfs/dbraw/zinc/41/79/59/488417959.db2.gz AMSUJMSCTBXKAS-UHFFFAOYSA-N 2 2 352.504 0.917 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077931046 488419346 /nfs/dbraw/zinc/41/93/46/488419346.db2.gz SHFCSMUULXFHQV-KRWDZBQOSA-N 2 2 356.511 0.755 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)C[C@H](C)N1CC[NH+]1CCOC[C@@H]1C ZINC000192806217 488424851 /nfs/dbraw/zinc/42/48/51/488424851.db2.gz IIDLZBKHXVUURV-YRPNKDGESA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCOC[C@@H]2C)C[C@H](C)N1CC[N@@H+]1CCOC[C@@H]1C ZINC000192806217 488424854 /nfs/dbraw/zinc/42/48/54/488424854.db2.gz IIDLZBKHXVUURV-YRPNKDGESA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCOC[C@@H]2C)C[C@H](C)N1CC[N@H+]1CCOC[C@@H]1C ZINC000192806217 488424856 /nfs/dbraw/zinc/42/48/56/488424856.db2.gz IIDLZBKHXVUURV-YRPNKDGESA-N 2 2 368.566 0.822 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000079100228 488427323 /nfs/dbraw/zinc/42/73/23/488427323.db2.gz ZWLGMRWSYRPJEC-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000079100228 488427325 /nfs/dbraw/zinc/42/73/25/488427325.db2.gz ZWLGMRWSYRPJEC-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000193831788 488429359 /nfs/dbraw/zinc/42/93/59/488429359.db2.gz FMLSVBUEGYPKKJ-UHFFFAOYSA-N 2 2 373.501 0.849 20 0 FCADLP CCc1nncn1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000080552980 488436023 /nfs/dbraw/zinc/43/60/23/488436023.db2.gz GIPDNNRUFCPEMP-UHFFFAOYSA-N 2 2 351.499 0.508 20 0 FCADLP CCc1nncn1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000080552980 488436025 /nfs/dbraw/zinc/43/60/25/488436025.db2.gz GIPDNNRUFCPEMP-UHFFFAOYSA-N 2 2 351.499 0.508 20 0 FCADLP C[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000080893736 488437633 /nfs/dbraw/zinc/43/76/33/488437633.db2.gz QEQXOSOJXDWSMK-UZLBHIALSA-N 2 2 361.486 0.633 20 0 FCADLP C[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000080893736 488437635 /nfs/dbraw/zinc/43/76/35/488437635.db2.gz 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FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081634462 488443659 /nfs/dbraw/zinc/44/36/59/488443659.db2.gz VUQDUICXLNKERD-MAUKXSAKSA-N 2 2 350.507 0.729 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000083700771 488447758 /nfs/dbraw/zinc/44/77/58/488447758.db2.gz LEGPPPQIEXOFSI-HZPDHXFCSA-N 2 2 370.519 0.685 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000083701424 488447858 /nfs/dbraw/zinc/44/78/58/488447858.db2.gz CCNZEFNKIWMRAX-GOSISDBHSA-N 2 2 370.538 0.833 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000083735941 488448634 /nfs/dbraw/zinc/44/86/34/488448634.db2.gz ZYWYLJLTCIVMAW-QZTJIDSGSA-N 2 2 368.522 0.585 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000083735941 488448635 /nfs/dbraw/zinc/44/86/35/488448635.db2.gz ZYWYLJLTCIVMAW-QZTJIDSGSA-N 2 2 368.522 0.585 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCc3c[nH+]c(N(C)C)n3C)CC2)c1 ZINC000083738876 488449212 /nfs/dbraw/zinc/44/92/12/488449212.db2.gz UEHNRPVNVAFDIG-UHFFFAOYSA-N 2 2 373.461 0.922 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1C ZINC000083739037 488449316 /nfs/dbraw/zinc/44/93/16/488449316.db2.gz PBJDPBARKSFRIU-AWEZNQCLSA-N 2 2 350.467 0.492 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000237443215 488455280 /nfs/dbraw/zinc/45/52/80/488455280.db2.gz CFTNMRIZZLKPAB-MSOLQXFVSA-N 2 2 374.485 0.697 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237491539 488455426 /nfs/dbraw/zinc/45/54/26/488455426.db2.gz KJPDWMFNTVNODB-WMZOPIPTSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237436932 488455543 /nfs/dbraw/zinc/45/55/43/488455543.db2.gz OATIEPVBFGNYJN-OAHLLOKOSA-N 2 2 360.458 0.150 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237491122 488455653 /nfs/dbraw/zinc/45/56/53/488455653.db2.gz 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C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000249082759 488506289 /nfs/dbraw/zinc/50/62/89/488506289.db2.gz HUHMRQVABBPPAD-OALUTQOASA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000249082759 488506290 /nfs/dbraw/zinc/50/62/90/488506290.db2.gz HUHMRQVABBPPAD-OALUTQOASA-N 2 2 374.529 0.718 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000105103668 488506914 /nfs/dbraw/zinc/50/69/14/488506914.db2.gz QXJZZQXFSWASIW-BBWFWOEESA-N 2 2 356.511 0.752 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105130319 488507813 /nfs/dbraw/zinc/50/78/13/488507813.db2.gz JSCFFDINVQDUHC-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105130319 488507816 /nfs/dbraw/zinc/50/78/16/488507816.db2.gz JSCFFDINVQDUHC-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105130319 488507818 /nfs/dbraw/zinc/50/78/18/488507818.db2.gz JSCFFDINVQDUHC-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105130319 488507821 /nfs/dbraw/zinc/50/78/21/488507821.db2.gz JSCFFDINVQDUHC-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP CN(C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1c[nH+]cn1C ZINC000554461274 491203696 /nfs/dbraw/zinc/20/36/96/491203696.db2.gz YGPUYKUWQZUIGO-QGZVFWFLSA-N 2 2 364.494 0.131 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C(N)=O)C1 ZINC000249562809 488512264 /nfs/dbraw/zinc/51/22/64/488512264.db2.gz MDKCPKMTHSCAFB-HZPDHXFCSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C(N)=O)C1 ZINC000249562809 488512265 /nfs/dbraw/zinc/51/22/65/488512265.db2.gz MDKCPKMTHSCAFB-HZPDHXFCSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H]1COCCN1CC[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C(C)(C)C1 ZINC000249636985 488513389 /nfs/dbraw/zinc/51/33/89/488513389.db2.gz WVBBVSNMYJMQNY-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C(C)(C)C1 ZINC000249636985 488513390 /nfs/dbraw/zinc/51/33/90/488513390.db2.gz WVBBVSNMYJMQNY-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)C(C)(C)C1 ZINC000249636985 488513391 /nfs/dbraw/zinc/51/33/91/488513391.db2.gz WVBBVSNMYJMQNY-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C(C)(C)C1 ZINC000249636985 488513394 /nfs/dbraw/zinc/51/33/94/488513394.db2.gz WVBBVSNMYJMQNY-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000250122704 488515422 /nfs/dbraw/zinc/51/54/22/488515422.db2.gz VPDYBFMZXJBBQP-MJGOQNOKSA-N 2 2 360.502 0.500 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000250122704 488515424 /nfs/dbraw/zinc/51/54/24/488515424.db2.gz VPDYBFMZXJBBQP-MJGOQNOKSA-N 2 2 360.502 0.500 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000107832956 488518465 /nfs/dbraw/zinc/51/84/65/488518465.db2.gz JOTFRWPXMKYSCH-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000107832956 488518468 /nfs/dbraw/zinc/51/84/68/488518468.db2.gz JOTFRWPXMKYSCH-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000252663727 488519478 /nfs/dbraw/zinc/51/94/78/488519478.db2.gz DPRLMFJJMKYJJW-FPCVCCKLSA-N 2 2 368.503 0.800 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000252663727 488519481 /nfs/dbraw/zinc/51/94/81/488519481.db2.gz DPRLMFJJMKYJJW-FPCVCCKLSA-N 2 2 368.503 0.800 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000271599686 488529677 /nfs/dbraw/zinc/52/96/77/488529677.db2.gz HRRIFJBBQOIGAF-AWEZNQCLSA-N 2 2 363.462 0.926 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000271599686 488529680 /nfs/dbraw/zinc/52/96/80/488529680.db2.gz HRRIFJBBQOIGAF-AWEZNQCLSA-N 2 2 363.462 0.926 20 0 FCADLP NC(=O)[C@H]1CSCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000271618242 488531780 /nfs/dbraw/zinc/53/17/80/488531780.db2.gz WOSIRJQGGJEUPH-CQSZACIVSA-N 2 2 363.487 0.023 20 0 FCADLP NC(=O)[C@H]1CSCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000271618242 488531781 /nfs/dbraw/zinc/53/17/81/488531781.db2.gz WOSIRJQGGJEUPH-CQSZACIVSA-N 2 2 363.487 0.023 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000261716200 488532447 /nfs/dbraw/zinc/53/24/47/488532447.db2.gz JBANGJKHDIJAIC-FQEVSTJZSA-N 2 2 374.485 0.446 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000261716200 488532450 /nfs/dbraw/zinc/53/24/50/488532450.db2.gz JBANGJKHDIJAIC-FQEVSTJZSA-N 2 2 374.485 0.446 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261751679 488534106 /nfs/dbraw/zinc/53/41/06/488534106.db2.gz LFWZKFWCYXSVHJ-SFHVURJKSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261751679 488534109 /nfs/dbraw/zinc/53/41/09/488534109.db2.gz LFWZKFWCYXSVHJ-SFHVURJKSA-N 2 2 351.447 0.999 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753191 488534630 /nfs/dbraw/zinc/53/46/30/488534630.db2.gz FKTBCBQQQFZZGR-HUUCEWRRSA-N 2 2 362.478 0.247 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753191 488534632 /nfs/dbraw/zinc/53/46/32/488534632.db2.gz FKTBCBQQQFZZGR-HUUCEWRRSA-N 2 2 362.478 0.247 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261762917 488535053 /nfs/dbraw/zinc/53/50/53/488535053.db2.gz GAIZFUYVUQGDRY-OLZOCXBDSA-N 2 2 364.412 0.587 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261762917 488535055 /nfs/dbraw/zinc/53/50/55/488535055.db2.gz GAIZFUYVUQGDRY-OLZOCXBDSA-N 2 2 364.412 0.587 20 0 FCADLP COCC1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000261803338 488536594 /nfs/dbraw/zinc/53/65/94/488536594.db2.gz VYKBBRZMHURGBP-UHFFFAOYSA-N 2 2 361.490 0.336 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261820376 488537289 /nfs/dbraw/zinc/53/72/89/488537289.db2.gz PHDPDMVNEZSEFZ-KRWDZBQOSA-N 2 2 360.458 0.767 20 0 FCADLP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000114602551 488541575 /nfs/dbraw/zinc/54/15/75/488541575.db2.gz CTHMHNIHKCGPFK-SFHVURJKSA-N 2 2 367.538 0.256 20 0 FCADLP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000114602551 488541577 /nfs/dbraw/zinc/54/15/77/488541577.db2.gz CTHMHNIHKCGPFK-SFHVURJKSA-N 2 2 367.538 0.256 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000271730084 488542469 /nfs/dbraw/zinc/54/24/69/488542469.db2.gz TYNDCBHLYMPBBR-CYBMUJFWSA-N 2 2 366.466 0.265 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000271730084 488542471 /nfs/dbraw/zinc/54/24/71/488542471.db2.gz TYNDCBHLYMPBBR-CYBMUJFWSA-N 2 2 366.466 0.265 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000271756861 488544770 /nfs/dbraw/zinc/54/47/70/488544770.db2.gz YUPPGVGZXJYYHQ-CQSZACIVSA-N 2 2 353.488 0.597 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119302704 488556403 /nfs/dbraw/zinc/55/64/03/488556403.db2.gz NSHFYJHYOJIHNK-KZNAEPCWSA-N 2 2 370.538 0.689 20 0 FCADLP [NH3+]CC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCOCC1 ZINC000262318831 488563838 /nfs/dbraw/zinc/56/38/38/488563838.db2.gz RBRDFUPURCKKDV-UHFFFAOYSA-N 2 2 357.458 0.734 20 0 FCADLP O=C(COCC(=O)NCCNc1cccc[nH+]1)NCCNc1cccc[nH+]1 ZINC000272131142 488564076 /nfs/dbraw/zinc/56/40/76/488564076.db2.gz SILCDBBUUSMCNM-UHFFFAOYSA-N 2 2 372.429 0.250 20 0 FCADLP C[NH2+][C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262398332 488568336 /nfs/dbraw/zinc/56/83/36/488568336.db2.gz PENOPGODWMQDTI-IBGZPJMESA-N 2 2 370.501 0.615 20 0 FCADLP C[NH2+][C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1cnn(C)c1 ZINC000262484142 488573051 /nfs/dbraw/zinc/57/30/51/488573051.db2.gz ZXMIGDUGXLZAHY-MAUKXSAKSA-N 2 2 371.489 0.403 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936044 488573252 /nfs/dbraw/zinc/57/32/52/488573252.db2.gz PDNBMXBFRLTQJK-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936044 488573254 /nfs/dbraw/zinc/57/32/54/488573254.db2.gz PDNBMXBFRLTQJK-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP CSC[C@@H](O)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562999356 491206937 /nfs/dbraw/zinc/20/69/37/491206937.db2.gz KZTWWHCEIPDQBG-CABCVRRESA-N 2 2 367.519 0.596 20 0 FCADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000122237552 488576593 /nfs/dbraw/zinc/57/65/93/488576593.db2.gz XZKFHWSCIJSRIA-OALUTQOASA-N 2 2 373.545 0.949 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000122993866 488582046 /nfs/dbraw/zinc/58/20/46/488582046.db2.gz HMIGTOQIRVTDHN-UHFFFAOYSA-N 2 2 372.469 0.767 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000122993866 488582047 /nfs/dbraw/zinc/58/20/47/488582047.db2.gz HMIGTOQIRVTDHN-UHFFFAOYSA-N 2 2 372.469 0.767 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000262660998 488585049 /nfs/dbraw/zinc/58/50/49/488585049.db2.gz GFKQRFVJGJLYEV-OAHLLOKOSA-N 2 2 363.458 0.966 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000262667361 488585412 /nfs/dbraw/zinc/58/54/12/488585412.db2.gz PYMDFDVKTWMGPF-AEFFLSMTSA-N 2 2 360.458 0.044 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000262682784 488586161 /nfs/dbraw/zinc/58/61/61/488586161.db2.gz WRGVYDSOPMVTNW-KRWDZBQOSA-N 2 2 354.458 0.723 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000123780713 488587538 /nfs/dbraw/zinc/58/75/38/488587538.db2.gz VAOJDQWQDRDDEE-UHFFFAOYSA-N 2 2 373.545 0.801 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262758556 488590930 /nfs/dbraw/zinc/59/09/30/488590930.db2.gz CJUCTUAHMHRJBD-GOSISDBHSA-N 2 2 372.469 0.087 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)cn1 ZINC000262761793 488591052 /nfs/dbraw/zinc/59/10/52/488591052.db2.gz LNXAGODPMLOTIN-KRWDZBQOSA-N 2 2 371.489 0.889 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)cn1 ZINC000262761793 488591055 /nfs/dbraw/zinc/59/10/55/488591055.db2.gz LNXAGODPMLOTIN-KRWDZBQOSA-N 2 2 371.489 0.889 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)C[C@@H]21 ZINC000124274799 488591128 /nfs/dbraw/zinc/59/11/28/488591128.db2.gz VQCFTJSMSQVFNS-DLBZAZTESA-N 2 2 359.474 0.135 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)C[C@@H]21 ZINC000124274799 488591130 /nfs/dbraw/zinc/59/11/30/488591130.db2.gz VQCFTJSMSQVFNS-DLBZAZTESA-N 2 2 359.474 0.135 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000563056323 491210864 /nfs/dbraw/zinc/21/08/64/491210864.db2.gz IWEANVBPBIPMJJ-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000563056263 491211043 /nfs/dbraw/zinc/21/10/43/491211043.db2.gz GDOIGRSQTHQVJJ-ROUUACIJSA-N 2 2 374.485 0.434 20 0 FCADLP CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000124955143 488597064 /nfs/dbraw/zinc/59/70/64/488597064.db2.gz RZKQTXGMQIDUFT-INIZCTEOSA-N 2 2 368.503 0.901 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263052657 488603766 /nfs/dbraw/zinc/60/37/66/488603766.db2.gz URYVVSKQZLEJRF-KBXCAEBGSA-N 2 2 357.462 0.920 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000263262696 488607754 /nfs/dbraw/zinc/60/77/54/488607754.db2.gz TYGUDEHDNPGOSH-AEFFLSMTSA-N 2 2 362.474 0.276 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCO[C@@H]1CCOC1 ZINC000128292324 488623505 /nfs/dbraw/zinc/62/35/05/488623505.db2.gz AMJQXXZBUJACRR-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCO[C@@H]1CCOC1 ZINC000128292324 488623507 /nfs/dbraw/zinc/62/35/07/488623507.db2.gz AMJQXXZBUJACRR-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000130714678 488639954 /nfs/dbraw/zinc/63/99/54/488639954.db2.gz GKWPPKYFXZJCJT-OAHLLOKOSA-N 2 2 362.449 0.699 20 0 FCADLP C[C@@H](CO[C@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000131203755 488643525 /nfs/dbraw/zinc/64/35/25/488643525.db2.gz ZRBUSBCXBBTEEJ-RDJZCZTQSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H](CO[C@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131203755 488643528 /nfs/dbraw/zinc/64/35/28/488643528.db2.gz ZRBUSBCXBBTEEJ-RDJZCZTQSA-N 2 2 356.511 0.848 20 0 FCADLP CC[N@H+](CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000131724937 488648040 /nfs/dbraw/zinc/64/80/40/488648040.db2.gz YNTOLSLLCIHXST-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CC[N@@H+](CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000131724937 488648041 /nfs/dbraw/zinc/64/80/41/488648041.db2.gz YNTOLSLLCIHXST-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CNC(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000264133874 488649961 /nfs/dbraw/zinc/64/99/61/488649961.db2.gz LCMQFWNYDQHACI-UHFFFAOYSA-N 2 2 359.474 0.730 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000264165616 488651695 /nfs/dbraw/zinc/65/16/95/488651695.db2.gz VNDFWNXCBWYDIJ-HNNXBMFYSA-N 2 2 363.462 0.643 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133082230 488657172 /nfs/dbraw/zinc/65/71/72/488657172.db2.gz UAZRFULPGZUPSD-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133082230 488657174 /nfs/dbraw/zinc/65/71/74/488657174.db2.gz UAZRFULPGZUPSD-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264240989 488657305 /nfs/dbraw/zinc/65/73/05/488657305.db2.gz OJRBTJYOUFBGMQ-LJQANCHMSA-N 2 2 360.502 0.766 20 0 FCADLP CC[C@](C)([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(N)=O ZINC000133107746 488657629 /nfs/dbraw/zinc/65/76/29/488657629.db2.gz UVMMRPIOUZQJOV-KRWDZBQOSA-N 2 2 354.495 0.381 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)c1 ZINC000264259938 488658492 /nfs/dbraw/zinc/65/84/92/488658492.db2.gz LVICJKOCMRVVGC-UHFFFAOYSA-N 2 2 363.462 0.644 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000264312100 488662905 /nfs/dbraw/zinc/66/29/05/488662905.db2.gz ZSXKBFBNLXXUEF-UHFFFAOYSA-N 2 2 362.478 0.737 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000138751696 488682663 /nfs/dbraw/zinc/68/26/63/488682663.db2.gz RWZCYWYQJORXNY-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000138751696 488682666 /nfs/dbraw/zinc/68/26/66/488682666.db2.gz RWZCYWYQJORXNY-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(C[NH+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000138751696 488682668 /nfs/dbraw/zinc/68/26/68/488682668.db2.gz RWZCYWYQJORXNY-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(C[NH+]2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000138751696 488682671 /nfs/dbraw/zinc/68/26/71/488682671.db2.gz RWZCYWYQJORXNY-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000264550254 488684867 /nfs/dbraw/zinc/68/48/67/488684867.db2.gz VBFBHWDUQLYIOA-UHFFFAOYSA-N 2 2 356.430 0.550 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060325 488686343 /nfs/dbraw/zinc/68/63/43/488686343.db2.gz GDQKUOOMRIBKGK-AEFFLSMTSA-N 2 2 374.485 0.583 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060325 488686345 /nfs/dbraw/zinc/68/63/45/488686345.db2.gz GDQKUOOMRIBKGK-AEFFLSMTSA-N 2 2 374.485 0.583 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060325 488686347 /nfs/dbraw/zinc/68/63/47/488686347.db2.gz GDQKUOOMRIBKGK-AEFFLSMTSA-N 2 2 374.485 0.583 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)CC[C@@H]21 ZINC000140060325 488686349 /nfs/dbraw/zinc/68/63/49/488686349.db2.gz GDQKUOOMRIBKGK-AEFFLSMTSA-N 2 2 374.485 0.583 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCN(C)CC1 ZINC000151217567 488703060 /nfs/dbraw/zinc/70/30/60/488703060.db2.gz NTOIZPUEEJDLBE-QGZVFWFLSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)N1CC[NH+](C)CC1 ZINC000151217567 488703063 /nfs/dbraw/zinc/70/30/63/488703063.db2.gz NTOIZPUEEJDLBE-QGZVFWFLSA-N 2 2 369.554 0.357 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151331932 488704063 /nfs/dbraw/zinc/70/40/63/488704063.db2.gz BXOFGMIITFKICN-OAHLLOKOSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151331932 488704066 /nfs/dbraw/zinc/70/40/66/488704066.db2.gz BXOFGMIITFKICN-OAHLLOKOSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151331932 488704068 /nfs/dbraw/zinc/70/40/68/488704068.db2.gz BXOFGMIITFKICN-OAHLLOKOSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151331932 488704070 /nfs/dbraw/zinc/70/40/70/488704070.db2.gz BXOFGMIITFKICN-OAHLLOKOSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000151398145 488704794 /nfs/dbraw/zinc/70/47/94/488704794.db2.gz JVZGLAIVNIAVEZ-UHFFFAOYSA-N 2 2 371.445 0.127 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796226 488712891 /nfs/dbraw/zinc/71/28/91/488712891.db2.gz VLMRUXZKICXYDH-MOPGFXCFSA-N 2 2 359.518 0.337 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796226 488712892 /nfs/dbraw/zinc/71/28/92/488712892.db2.gz VLMRUXZKICXYDH-MOPGFXCFSA-N 2 2 359.518 0.337 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000264808447 488714484 /nfs/dbraw/zinc/71/44/84/488714484.db2.gz WODVNEGDPYHPBN-UHFFFAOYSA-N 2 2 363.458 0.696 20 0 FCADLP CC[N@H+](CC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)C1CC1 ZINC000152211105 488714967 /nfs/dbraw/zinc/71/49/67/488714967.db2.gz NBJUEBQVOUTJPL-UHFFFAOYSA-N 2 2 359.474 0.884 20 0 FCADLP CC[N@@H+](CC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)C1CC1 ZINC000152211105 488714970 /nfs/dbraw/zinc/71/49/70/488714970.db2.gz NBJUEBQVOUTJPL-UHFFFAOYSA-N 2 2 359.474 0.884 20 0 FCADLP COC(=O)C1(O)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274563004 488719852 /nfs/dbraw/zinc/71/98/52/488719852.db2.gz CRDHRGYEMZRPTJ-MRXNPFEDSA-N 2 2 363.458 0.405 20 0 FCADLP C[NH2+]CC1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000563100426 491215221 /nfs/dbraw/zinc/21/52/21/491215221.db2.gz PQQVXJKESGBWOS-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153053266 488726404 /nfs/dbraw/zinc/72/64/04/488726404.db2.gz NLZBXQLLUXAEPM-MRXNPFEDSA-N 2 2 360.506 0.986 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000153173048 488727913 /nfs/dbraw/zinc/72/79/13/488727913.db2.gz LFINMTQHUQXROL-IBGZPJMESA-N 2 2 373.457 0.954 20 0 FCADLP CN1CCN(c2cc(N3CC[C@@H](C4CC[NH+](C)CC4)C3)[nH+]cn2)CC1=O ZINC000274822257 488735861 /nfs/dbraw/zinc/73/58/61/488735861.db2.gz BTPZWXRXGKGKFR-MRXNPFEDSA-N 2 2 358.490 0.923 20 0 FCADLP CN1CCN(c2cc(N3CC[C@@H](C4CC[NH+](C)CC4)C3)nc[nH+]2)CC1=O ZINC000274822257 488735862 /nfs/dbraw/zinc/73/58/62/488735862.db2.gz BTPZWXRXGKGKFR-MRXNPFEDSA-N 2 2 358.490 0.923 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000266894457 488740887 /nfs/dbraw/zinc/74/08/87/488740887.db2.gz DUNHOSUKPTZANX-AWEZNQCLSA-N 2 2 370.457 0.929 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000266894400 488741025 /nfs/dbraw/zinc/74/10/25/488741025.db2.gz DTFJBYKYXQRTNX-UHFFFAOYSA-N 2 2 356.430 0.568 20 0 FCADLP Nc1c(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000266904492 488742028 /nfs/dbraw/zinc/74/20/28/488742028.db2.gz HNRYWFJOZNRPRU-JTQLQIEISA-N 2 2 358.402 0.651 20 0 FCADLP Nc1c(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000266904492 488742029 /nfs/dbraw/zinc/74/20/29/488742029.db2.gz HNRYWFJOZNRPRU-JTQLQIEISA-N 2 2 358.402 0.651 20 0 FCADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266904424 488742196 /nfs/dbraw/zinc/74/21/96/488742196.db2.gz HKFCYURFLBRUMT-OAHLLOKOSA-N 2 2 370.457 0.957 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154529907 488744162 /nfs/dbraw/zinc/74/41/62/488744162.db2.gz QQKFMQQFPRHUBZ-OAGGEKHMSA-N 2 2 354.495 0.155 20 0 FCADLP CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000154691557 488746522 /nfs/dbraw/zinc/74/65/22/488746522.db2.gz HFHHPNBCYVHRTJ-UHFFFAOYSA-N 2 2 362.474 0.915 20 0 FCADLP CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000154691557 488746524 /nfs/dbraw/zinc/74/65/24/488746524.db2.gz HFHHPNBCYVHRTJ-UHFFFAOYSA-N 2 2 362.474 0.915 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000266950066 488747185 /nfs/dbraw/zinc/74/71/85/488747185.db2.gz UGKHNOXRXBUPQN-UHFFFAOYSA-N 2 2 362.459 0.731 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)C1 ZINC000155105709 488751427 /nfs/dbraw/zinc/75/14/27/488751427.db2.gz VYTWUPHIFPUJHD-ROUUACIJSA-N 2 2 357.539 0.889 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C[NH+]1CCOCC1 ZINC000156026078 488761184 /nfs/dbraw/zinc/76/11/84/488761184.db2.gz SDQLEVJFBXMHCY-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)C(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000157639405 488772654 /nfs/dbraw/zinc/77/26/54/488772654.db2.gz NGOMJSLJHCQLIX-UHFFFAOYSA-N 2 2 350.463 0.628 20 0 FCADLP CC(C)C(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000157639405 488772656 /nfs/dbraw/zinc/77/26/56/488772656.db2.gz NGOMJSLJHCQLIX-UHFFFAOYSA-N 2 2 350.463 0.628 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000157848176 488774002 /nfs/dbraw/zinc/77/40/02/488774002.db2.gz DNGOEGKTTWQNKT-MOPGFXCFSA-N 2 2 372.513 0.818 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000157848176 488774004 /nfs/dbraw/zinc/77/40/04/488774004.db2.gz DNGOEGKTTWQNKT-MOPGFXCFSA-N 2 2 372.513 0.818 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005316 488782233 /nfs/dbraw/zinc/78/22/33/488782233.db2.gz IHHYOMYOTNGVDZ-IRXDYDNUSA-N 2 2 374.485 0.980 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005316 488782234 /nfs/dbraw/zinc/78/22/34/488782234.db2.gz IHHYOMYOTNGVDZ-IRXDYDNUSA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005316 488782235 /nfs/dbraw/zinc/78/22/35/488782235.db2.gz IHHYOMYOTNGVDZ-IRXDYDNUSA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005316 488782236 /nfs/dbraw/zinc/78/22/36/488782236.db2.gz IHHYOMYOTNGVDZ-IRXDYDNUSA-N 2 2 374.485 0.980 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)[C@@H](C[NH3+])C1 ZINC000162408228 488802512 /nfs/dbraw/zinc/80/25/12/488802512.db2.gz CEVFOBXLRWMKCQ-HNNXBMFYSA-N 2 2 360.458 0.832 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)[C@@H](C[NH3+])C1 ZINC000162408228 488802513 /nfs/dbraw/zinc/80/25/13/488802513.db2.gz CEVFOBXLRWMKCQ-HNNXBMFYSA-N 2 2 360.458 0.832 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162443346 488802949 /nfs/dbraw/zinc/80/29/49/488802949.db2.gz KGTPESYBNDSVNL-ZWKOTPCHSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162443346 488802951 /nfs/dbraw/zinc/80/29/51/488802951.db2.gz KGTPESYBNDSVNL-ZWKOTPCHSA-N 2 2 361.486 0.973 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000163493700 488807982 /nfs/dbraw/zinc/80/79/82/488807982.db2.gz WOOPDXCTHJBDJX-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc1 ZINC000168551020 488813020 /nfs/dbraw/zinc/81/30/20/488813020.db2.gz OJRZFOYKEWIQTO-UHFFFAOYSA-N 2 2 374.485 0.569 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000170895093 488817592 /nfs/dbraw/zinc/81/75/92/488817592.db2.gz CXEOQVIVDWTHFT-UHFFFAOYSA-N 2 2 374.489 0.833 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000171079823 488819416 /nfs/dbraw/zinc/81/94/16/488819416.db2.gz OTAIGTRSUHJXIK-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000171079823 488819417 /nfs/dbraw/zinc/81/94/17/488819417.db2.gz OTAIGTRSUHJXIK-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000171623619 488824599 /nfs/dbraw/zinc/82/45/99/488824599.db2.gz VMHRSXWXCROZOR-CVEARBPZSA-N 2 2 360.506 0.956 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000171623619 488824601 /nfs/dbraw/zinc/82/46/01/488824601.db2.gz VMHRSXWXCROZOR-CVEARBPZSA-N 2 2 360.506 0.956 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)on1 ZINC000171657262 488824913 /nfs/dbraw/zinc/82/49/13/488824913.db2.gz NXTCDVIAUMQEOB-CYBMUJFWSA-N 2 2 351.451 0.700 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000171641173 488825286 /nfs/dbraw/zinc/82/52/86/488825286.db2.gz UKHRISGQVCWQTM-IAGOWNOFSA-N 2 2 359.474 0.943 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000171641173 488825287 /nfs/dbraw/zinc/82/52/87/488825287.db2.gz UKHRISGQVCWQTM-IAGOWNOFSA-N 2 2 359.474 0.943 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000171961639 488829359 /nfs/dbraw/zinc/82/93/59/488829359.db2.gz NMJHLHILKQMFDN-CVEARBPZSA-N 2 2 359.474 0.577 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000171961639 488829361 /nfs/dbraw/zinc/82/93/61/488829361.db2.gz NMJHLHILKQMFDN-CVEARBPZSA-N 2 2 359.474 0.577 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171982228 488829589 /nfs/dbraw/zinc/82/95/89/488829589.db2.gz OLLUHVJVCLHSPD-SFHVURJKSA-N 2 2 354.539 0.879 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171982228 488829591 /nfs/dbraw/zinc/82/95/91/488829591.db2.gz OLLUHVJVCLHSPD-SFHVURJKSA-N 2 2 354.539 0.879 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000172323945 488832906 /nfs/dbraw/zinc/83/29/06/488832906.db2.gz AHDGCCWMYRWRIB-IEBWSBKVSA-N 2 2 374.485 0.339 20 0 FCADLP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[NH+]1CCN(C)CC1 ZINC000172809975 488838321 /nfs/dbraw/zinc/83/83/21/488838321.db2.gz LKDBPBZWURWPCY-GOSISDBHSA-N 2 2 374.533 0.346 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000172967193 488839662 /nfs/dbraw/zinc/83/96/62/488839662.db2.gz KNFMQJGSRVLWLN-GASCZTMLSA-N 2 2 369.473 0.600 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000172967193 488839663 /nfs/dbraw/zinc/83/96/63/488839663.db2.gz KNFMQJGSRVLWLN-GASCZTMLSA-N 2 2 369.473 0.600 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000173529346 488843327 /nfs/dbraw/zinc/84/33/27/488843327.db2.gz VMOCZOKZNXGDBM-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000173816853 488845647 /nfs/dbraw/zinc/84/56/47/488845647.db2.gz OLLJGNYBLPAFHR-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000173816853 488845648 /nfs/dbraw/zinc/84/56/48/488845648.db2.gz OLLJGNYBLPAFHR-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000173961399 488846450 /nfs/dbraw/zinc/84/64/50/488846450.db2.gz IMLKWMIXPTYJRC-GJZGRUSLSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000173961399 488846451 /nfs/dbraw/zinc/84/64/51/488846451.db2.gz IMLKWMIXPTYJRC-GJZGRUSLSA-N 2 2 363.506 0.465 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174132623 488847682 /nfs/dbraw/zinc/84/76/82/488847682.db2.gz SJVHDENLSCZPAY-QGZVFWFLSA-N 2 2 371.489 0.254 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]C2CCOCC2)CC1 ZINC000174404326 488848820 /nfs/dbraw/zinc/84/88/20/488848820.db2.gz YTBQMOWNOKFQLB-UHFFFAOYSA-N 2 2 353.488 0.891 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000174677905 488850693 /nfs/dbraw/zinc/85/06/93/488850693.db2.gz ICSIJTGVVZJTHV-QGZVFWFLSA-N 2 2 360.458 0.653 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000174677905 488850694 /nfs/dbraw/zinc/85/06/94/488850694.db2.gz ICSIJTGVVZJTHV-QGZVFWFLSA-N 2 2 360.458 0.653 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000175558914 488854461 /nfs/dbraw/zinc/85/44/61/488854461.db2.gz NKQRULRIWPIHKD-KRWDZBQOSA-N 2 2 356.511 0.897 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000175604634 488854563 /nfs/dbraw/zinc/85/45/63/488854563.db2.gz OPSHHFMBKOTXMA-UHFFFAOYSA-N 2 2 362.478 0.137 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175609222 488854591 /nfs/dbraw/zinc/85/45/91/488854591.db2.gz LRAJCVXIEOHINP-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC(=O)N2CCCCC2)CC1 ZINC000175602188 488854667 /nfs/dbraw/zinc/85/46/67/488854667.db2.gz NKEPTBKVAOYJMH-UHFFFAOYSA-N 2 2 353.511 0.714 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175700496 488855007 /nfs/dbraw/zinc/85/50/07/488855007.db2.gz FQYGSSVNDZKTSX-INIZCTEOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000176150157 488857422 /nfs/dbraw/zinc/85/74/22/488857422.db2.gz ZJTVDHKVESFYNO-ULQDDVLXSA-N 2 2 354.495 0.459 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000176950973 488858989 /nfs/dbraw/zinc/85/89/89/488858989.db2.gz ZQCRXYANKYSLMJ-SJORKVTESA-N 2 2 361.490 0.844 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962371 488862825 /nfs/dbraw/zinc/86/28/25/488862825.db2.gz DADRSYUXGZWUCJ-HNNXBMFYSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962371 488862826 /nfs/dbraw/zinc/86/28/26/488862826.db2.gz DADRSYUXGZWUCJ-HNNXBMFYSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180962371 488862827 /nfs/dbraw/zinc/86/28/27/488862827.db2.gz DADRSYUXGZWUCJ-HNNXBMFYSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180962371 488862828 /nfs/dbraw/zinc/86/28/28/488862828.db2.gz DADRSYUXGZWUCJ-HNNXBMFYSA-N 2 2 367.538 0.057 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C2 ZINC000364575997 488974429 /nfs/dbraw/zinc/97/44/29/488974429.db2.gz ZWDGIWDQLYWIBK-IFXJQAMLSA-N 2 2 364.490 0.837 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)CC2 ZINC000364575997 488974432 /nfs/dbraw/zinc/97/44/32/488974432.db2.gz ZWDGIWDQLYWIBK-IFXJQAMLSA-N 2 2 364.490 0.837 20 0 FCADLP COCCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642397 488981190 /nfs/dbraw/zinc/98/11/90/488981190.db2.gz RASGNYQLXCXFSL-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP COCCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642397 488981191 /nfs/dbraw/zinc/98/11/91/488981191.db2.gz RASGNYQLXCXFSL-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329243027 488984623 /nfs/dbraw/zinc/98/46/23/488984623.db2.gz SPEFDZBOJPDUCW-INIZCTEOSA-N 2 2 373.461 1.108 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000288498380 488986421 /nfs/dbraw/zinc/98/64/21/488986421.db2.gz BEJYEEIIIUHREV-SJORKVTESA-N 2 2 363.458 0.327 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000288558565 488992084 /nfs/dbraw/zinc/99/20/84/488992084.db2.gz GNSIVYYXXAVBJA-OAHLLOKOSA-N 2 2 359.430 0.259 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4n[nH]cc4c3)C2)CC1 ZINC000364753789 488997051 /nfs/dbraw/zinc/99/70/51/488997051.db2.gz HAMJVQQPYJJWPJ-OAHLLOKOSA-N 2 2 370.457 0.786 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4n[nH]cc4c3)C2)CC1 ZINC000364753789 488997052 /nfs/dbraw/zinc/99/70/52/488997052.db2.gz HAMJVQQPYJJWPJ-OAHLLOKOSA-N 2 2 370.457 0.786 20 0 FCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)N1CC[NH+](CC)CC1)CC2 ZINC000329595083 489019211 /nfs/dbraw/zinc/01/92/11/489019211.db2.gz VEYOAVCSQPTGMV-YESZJQIVSA-N 2 2 353.507 0.791 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000563215755 491228481 /nfs/dbraw/zinc/22/84/81/491228481.db2.gz SEDLESANKDXTDD-GOSISDBHSA-N 3 2 372.517 0.100 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000563215755 491228484 /nfs/dbraw/zinc/22/84/84/491228484.db2.gz SEDLESANKDXTDD-GOSISDBHSA-N 3 2 372.517 0.100 20 0 FCADLP O[C@H](C[NH+]1CCS[C@H]2COCC[C@H]21)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976742 489025267 /nfs/dbraw/zinc/02/52/67/489025267.db2.gz FMGBPAHPXZCOON-ZUFZQKGWSA-N 2 2 374.572 0.760 20 0 FCADLP O[C@H](C[NH+]1CCS[C@H]2COCC[C@H]21)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976742 489025269 /nfs/dbraw/zinc/02/52/69/489025269.db2.gz FMGBPAHPXZCOON-ZUFZQKGWSA-N 2 2 374.572 0.760 20 0 FCADLP O[C@@H](C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000364976742 489025272 /nfs/dbraw/zinc/02/52/72/489025272.db2.gz FMGBPAHPXZCOON-ZUFZQKGWSA-N 2 2 374.572 0.760 20 0 FCADLP O[C@@H](C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000364976742 489025276 /nfs/dbraw/zinc/02/52/76/489025276.db2.gz FMGBPAHPXZCOON-ZUFZQKGWSA-N 2 2 374.572 0.760 20 0 FCADLP CN(C(=O)C[C@H]1CCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329768947 489034227 /nfs/dbraw/zinc/03/42/27/489034227.db2.gz FAZRRSSDHLCVRK-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP COCCOCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000289033442 489037580 /nfs/dbraw/zinc/03/75/80/489037580.db2.gz OZXJNHPBAZYUNU-UHFFFAOYSA-N 2 2 350.463 0.715 20 0 FCADLP COCCOCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000289033442 489037582 /nfs/dbraw/zinc/03/75/82/489037582.db2.gz OZXJNHPBAZYUNU-UHFFFAOYSA-N 2 2 350.463 0.715 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000280884349 489038352 /nfs/dbraw/zinc/03/83/52/489038352.db2.gz PLDWHLDWESKWCR-UZLBHIALSA-N 2 2 371.485 0.789 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000329910925 489048964 /nfs/dbraw/zinc/04/89/64/489048964.db2.gz AEVMQUBHNXYQHE-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000289241376 489052138 /nfs/dbraw/zinc/05/21/38/489052138.db2.gz PKAIIGIRNKUHLX-HOTGVXAUSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000289241376 489052142 /nfs/dbraw/zinc/05/21/42/489052142.db2.gz PKAIIGIRNKUHLX-HOTGVXAUSA-N 2 2 355.442 0.893 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329975032 489056768 /nfs/dbraw/zinc/05/67/68/489056768.db2.gz ZKUNSNCLDOOBFU-KKUMJFAQSA-N 2 2 358.483 0.699 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329975032 489056770 /nfs/dbraw/zinc/05/67/70/489056770.db2.gz ZKUNSNCLDOOBFU-KKUMJFAQSA-N 2 2 358.483 0.699 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000365380575 489069958 /nfs/dbraw/zinc/06/99/58/489069958.db2.gz NMXJXHQLTMMMMW-DOTOQJQBSA-N 2 2 369.535 0.714 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000365380575 489069961 /nfs/dbraw/zinc/06/99/61/489069961.db2.gz NMXJXHQLTMMMMW-DOTOQJQBSA-N 2 2 369.535 0.714 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000365380585 489070116 /nfs/dbraw/zinc/07/01/16/489070116.db2.gz NMXJXHQLTMMMMW-WBVHZDCISA-N 2 2 369.535 0.714 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000365380585 489070118 /nfs/dbraw/zinc/07/01/18/489070118.db2.gz NMXJXHQLTMMMMW-WBVHZDCISA-N 2 2 369.535 0.714 20 0 FCADLP CN(C)[C@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH+]cn1C ZINC000281376289 489071472 /nfs/dbraw/zinc/07/14/72/489071472.db2.gz WWHOBUXZFLUNEG-MJGOQNOKSA-N 2 2 371.485 0.558 20 0 FCADLP CN(C)[C@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH+]cn1C ZINC000281376289 489071476 /nfs/dbraw/zinc/07/14/76/489071476.db2.gz WWHOBUXZFLUNEG-MJGOQNOKSA-N 2 2 371.485 0.558 20 0 FCADLP COC1(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCC1 ZINC000330159950 489074816 /nfs/dbraw/zinc/07/48/16/489074816.db2.gz RLQSHVJONJRJMA-UHFFFAOYSA-N 2 2 360.524 0.055 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000289583467 489078695 /nfs/dbraw/zinc/07/86/95/489078695.db2.gz DYAXEMWRDJGRDN-WMLDXEAASA-N 2 2 353.488 0.758 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330261632 489085464 /nfs/dbraw/zinc/08/54/64/489085464.db2.gz UJSXUNQYPJWFPN-UHFFFAOYSA-N 2 2 373.461 1.350 20 0 FCADLP C[N@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773282 489092040 /nfs/dbraw/zinc/09/20/40/489092040.db2.gz KMKUIXIUCIFYBX-VQTJNVASSA-N 2 2 372.513 0.865 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773282 489092044 /nfs/dbraw/zinc/09/20/44/489092044.db2.gz KMKUIXIUCIFYBX-VQTJNVASSA-N 2 2 372.513 0.865 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000365619895 489093645 /nfs/dbraw/zinc/09/36/45/489093645.db2.gz CEABTGJDEYXWCM-CYBMUJFWSA-N 2 2 371.445 0.047 20 0 FCADLP CC(=O)CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330387375 489096472 /nfs/dbraw/zinc/09/64/72/489096472.db2.gz VXMCCNNLUMSPOQ-UHFFFAOYSA-N 2 2 352.479 0.052 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1)C1CC1 ZINC000289896891 489100686 /nfs/dbraw/zinc/10/06/86/489100686.db2.gz MUODTLZSJHJAFF-LJQANCHMSA-N 2 2 372.513 0.648 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1)C1CC1 ZINC000289896891 489100689 /nfs/dbraw/zinc/10/06/89/489100689.db2.gz MUODTLZSJHJAFF-LJQANCHMSA-N 2 2 372.513 0.648 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290361994 489133683 /nfs/dbraw/zinc/13/36/83/489133683.db2.gz GOXZLPRIOUCUIO-OAHLLOKOSA-N 2 2 359.474 0.719 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000570346669 491235340 /nfs/dbraw/zinc/23/53/40/491235340.db2.gz PSLRITIJVIVVCY-UHFFFAOYSA-N 2 2 365.522 0.668 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC000282224845 489146750 /nfs/dbraw/zinc/14/67/50/489146750.db2.gz NCPXCOCEQAPXBN-UHFFFAOYSA-N 2 2 360.506 0.939 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC000282224845 489146754 /nfs/dbraw/zinc/14/67/54/489146754.db2.gz NCPXCOCEQAPXBN-UHFFFAOYSA-N 2 2 360.506 0.939 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)C1 ZINC000366190070 489155572 /nfs/dbraw/zinc/15/55/72/489155572.db2.gz ZHBOYKYYZTZNJG-LJQANCHMSA-N 2 2 373.505 0.336 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2)C1 ZINC000366190070 489155575 /nfs/dbraw/zinc/15/55/75/489155575.db2.gz ZHBOYKYYZTZNJG-LJQANCHMSA-N 2 2 373.505 0.336 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348074 491238060 /nfs/dbraw/zinc/23/80/60/491238060.db2.gz HHSPPCNCPFWMFN-AAEUAGOBSA-N 2 2 352.460 0.035 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348074 491238063 /nfs/dbraw/zinc/23/80/63/491238063.db2.gz HHSPPCNCPFWMFN-AAEUAGOBSA-N 2 2 352.460 0.035 20 0 FCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000570402618 491238964 /nfs/dbraw/zinc/23/89/64/491238964.db2.gz BBPFXVSJQHEHSZ-LJQANCHMSA-N 2 2 364.490 0.013 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000570402618 491238966 /nfs/dbraw/zinc/23/89/66/491238966.db2.gz BBPFXVSJQHEHSZ-LJQANCHMSA-N 2 2 364.490 0.013 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331461628 489214215 /nfs/dbraw/zinc/21/42/15/489214215.db2.gz KUVGYTOHFHPYNN-CVEARBPZSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331461628 489214218 /nfs/dbraw/zinc/21/42/18/489214218.db2.gz KUVGYTOHFHPYNN-CVEARBPZSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331461630 489214459 /nfs/dbraw/zinc/21/44/59/489214459.db2.gz KUVGYTOHFHPYNN-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331461630 489214461 /nfs/dbraw/zinc/21/44/61/489214461.db2.gz KUVGYTOHFHPYNN-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CC(=O)N(C)C1=O ZINC000283183337 489224216 /nfs/dbraw/zinc/22/42/16/489224216.db2.gz ZUYNWESTPJRLTA-HNNXBMFYSA-N 2 2 360.462 0.198 20 0 FCADLP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CC(=O)N(C)C1=O ZINC000283183337 489224219 /nfs/dbraw/zinc/22/42/19/489224219.db2.gz ZUYNWESTPJRLTA-HNNXBMFYSA-N 2 2 360.462 0.198 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690134 489224879 /nfs/dbraw/zinc/22/48/79/489224879.db2.gz FERKQZXRVYQHEN-RHSMWYFYSA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690134 489224882 /nfs/dbraw/zinc/22/48/82/489224882.db2.gz FERKQZXRVYQHEN-RHSMWYFYSA-N 2 2 357.458 0.701 20 0 FCADLP CC1(C)C[NH+]=C(N2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)S1 ZINC000283215849 489228734 /nfs/dbraw/zinc/22/87/34/489228734.db2.gz AVAKVQLLLHGGFN-UHFFFAOYSA-N 2 2 364.475 0.025 20 0 FCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000332780309 489229363 /nfs/dbraw/zinc/22/93/63/489229363.db2.gz FMTLZRGSVORLPT-HOTGVXAUSA-N 2 2 364.515 0.897 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369140 489230925 /nfs/dbraw/zinc/23/09/25/489230925.db2.gz FLQFLTXVAHBQBU-ZBFHGGJFSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369140 489230927 /nfs/dbraw/zinc/23/09/27/489230927.db2.gz FLQFLTXVAHBQBU-ZBFHGGJFSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369368495 489231058 /nfs/dbraw/zinc/23/10/58/489231058.db2.gz CYXXCWZAGDSSIV-GDBMZVCRSA-N 2 2 351.495 0.321 20 0 FCADLP CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369368495 489231061 /nfs/dbraw/zinc/23/10/61/489231061.db2.gz CYXXCWZAGDSSIV-GDBMZVCRSA-N 2 2 351.495 0.321 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283245025 489232605 /nfs/dbraw/zinc/23/26/05/489232605.db2.gz DBBOPNBMBLYKKG-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283245025 489232607 /nfs/dbraw/zinc/23/26/07/489232607.db2.gz DBBOPNBMBLYKKG-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000283247204 489232735 /nfs/dbraw/zinc/23/27/35/489232735.db2.gz DELWUUCMLHLBQQ-UHFFFAOYSA-N 2 2 373.457 0.646 20 0 FCADLP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000297754823 489235348 /nfs/dbraw/zinc/23/53/48/489235348.db2.gz GIIFZUIDHLHNGR-UHFFFAOYSA-N 2 2 357.458 0.284 20 0 FCADLP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000283279955 489238153 /nfs/dbraw/zinc/23/81/53/489238153.db2.gz GMHNWBXALSNHHQ-UHFFFAOYSA-N 2 2 359.430 0.256 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000369464452 489241179 /nfs/dbraw/zinc/24/11/79/489241179.db2.gz RBGPORUENMOYOU-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000369464452 489241180 /nfs/dbraw/zinc/24/11/80/489241180.db2.gz RBGPORUENMOYOU-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000332906568 489244852 /nfs/dbraw/zinc/24/48/52/489244852.db2.gz WRFPBUURPSTTPE-CABCVRRESA-N 2 2 350.507 0.966 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000283331398 489246041 /nfs/dbraw/zinc/24/60/41/489246041.db2.gz CQEJTOCHJMMRAT-INIZCTEOSA-N 2 2 359.474 0.769 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)C2 ZINC000297850553 489251898 /nfs/dbraw/zinc/25/18/98/489251898.db2.gz VFWHMLPDRWBSDF-CJNGLKHVSA-N 2 2 361.490 0.837 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000332991348 489254929 /nfs/dbraw/zinc/25/49/29/489254929.db2.gz DZRBOXSHIVEIRX-CABCVRRESA-N 2 2 360.462 0.146 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000332991348 489254931 /nfs/dbraw/zinc/25/49/31/489254931.db2.gz DZRBOXSHIVEIRX-CABCVRRESA-N 2 2 360.462 0.146 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369608715 489256823 /nfs/dbraw/zinc/25/68/23/489256823.db2.gz HZRILXHEZRHXPF-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000333417435 489260763 /nfs/dbraw/zinc/26/07/63/489260763.db2.gz HMIJAWKQRIECKU-JKSUJKDBSA-N 2 2 364.494 1.162 20 0 FCADLP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000333417435 489260766 /nfs/dbraw/zinc/26/07/66/489260766.db2.gz HMIJAWKQRIECKU-JKSUJKDBSA-N 2 2 364.494 1.162 20 0 FCADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000333417434 489260804 /nfs/dbraw/zinc/26/08/04/489260804.db2.gz HMIJAWKQRIECKU-HZPDHXFCSA-N 2 2 364.494 1.162 20 0 FCADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000333417434 489260806 /nfs/dbraw/zinc/26/08/06/489260806.db2.gz HMIJAWKQRIECKU-HZPDHXFCSA-N 2 2 364.494 1.162 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NCCCn2cc[nH+]c2)[NH+](C)C)c1 ZINC000283517443 489269278 /nfs/dbraw/zinc/26/92/78/489269278.db2.gz QMKVPKDPWZTHDP-QGZVFWFLSA-N 2 2 373.457 0.817 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467604 491243069 /nfs/dbraw/zinc/24/30/69/491243069.db2.gz CLLRRFILBRHUMS-XJKSGUPXSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467604 491243071 /nfs/dbraw/zinc/24/30/71/491243071.db2.gz CLLRRFILBRHUMS-XJKSGUPXSA-N 2 2 359.474 0.477 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283608307 489280582 /nfs/dbraw/zinc/28/05/82/489280582.db2.gz PWVFJHPXPXJSIX-QGZVFWFLSA-N 2 2 355.442 0.780 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283608307 489280585 /nfs/dbraw/zinc/28/05/85/489280585.db2.gz PWVFJHPXPXJSIX-QGZVFWFLSA-N 2 2 355.442 0.780 20 0 FCADLP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283636485 489284372 /nfs/dbraw/zinc/28/43/72/489284372.db2.gz RYYDBIODSGPIFU-UHFFFAOYSA-N 2 2 353.467 0.206 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)CC1 ZINC000369899720 489289099 /nfs/dbraw/zinc/28/90/99/489289099.db2.gz JONAZASCDDDBGM-KRWDZBQOSA-N 2 2 359.474 0.957 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)CC1 ZINC000369899720 489289102 /nfs/dbraw/zinc/28/91/02/489289102.db2.gz JONAZASCDDDBGM-KRWDZBQOSA-N 2 2 359.474 0.957 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563439395 491246386 /nfs/dbraw/zinc/24/63/86/491246386.db2.gz FZPQLJPWAIMHQV-AXAPSJFSSA-N 2 2 366.412 0.728 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563439395 491246389 /nfs/dbraw/zinc/24/63/89/491246389.db2.gz FZPQLJPWAIMHQV-AXAPSJFSSA-N 2 2 366.412 0.728 20 0 FCADLP CC(C)OC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000369963490 489297898 /nfs/dbraw/zinc/29/78/98/489297898.db2.gz FZHJXQYZBSYBNM-QGZVFWFLSA-N 2 2 356.511 0.848 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000369973023 489298923 /nfs/dbraw/zinc/29/89/23/489298923.db2.gz JPLABTCAXYCUOA-MRXNPFEDSA-N 2 2 359.474 0.932 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243334 489305029 /nfs/dbraw/zinc/30/50/29/489305029.db2.gz LBKGURSTBAYIHY-JKSUJKDBSA-N 2 2 373.457 0.961 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243334 489305032 /nfs/dbraw/zinc/30/50/32/489305032.db2.gz LBKGURSTBAYIHY-JKSUJKDBSA-N 2 2 373.457 0.961 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243321 489305040 /nfs/dbraw/zinc/30/50/40/489305040.db2.gz LBKGURSTBAYIHY-CVEARBPZSA-N 2 2 373.457 0.961 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243321 489305043 /nfs/dbraw/zinc/30/50/43/489305043.db2.gz LBKGURSTBAYIHY-CVEARBPZSA-N 2 2 373.457 0.961 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000284265924 489308170 /nfs/dbraw/zinc/30/81/70/489308170.db2.gz WMSCMHNIOOWLCV-UHFFFAOYSA-N 2 2 355.442 0.941 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298262135 489309045 /nfs/dbraw/zinc/30/90/45/489309045.db2.gz GEKCMHGLUWQTHR-UHFFFAOYSA-N 2 2 350.438 0.490 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563450225 491248008 /nfs/dbraw/zinc/24/80/08/491248008.db2.gz BMDKUJDWNNEPSD-KGLIPLIRSA-N 2 2 356.430 0.298 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@H](C)C1 ZINC000563451688 491248048 /nfs/dbraw/zinc/24/80/48/491248048.db2.gz PWHRFMIIZVVDNZ-OAHLLOKOSA-N 2 2 372.473 0.982 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@H](C)C1 ZINC000563451688 491248050 /nfs/dbraw/zinc/24/80/50/491248050.db2.gz PWHRFMIIZVVDNZ-OAHLLOKOSA-N 2 2 372.473 0.982 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H](C)C[NH3+])CC2)cc(OC)c1OC ZINC000285825031 489323252 /nfs/dbraw/zinc/32/32/52/489323252.db2.gz UHLDFLZNKUZLFU-CYBMUJFWSA-N 2 2 351.447 0.951 20 0 FCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298505071 489332763 /nfs/dbraw/zinc/33/27/63/489332763.db2.gz KJFDPGPLWKUVMY-CQSZACIVSA-N 2 2 361.446 0.981 20 0 FCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298505071 489332765 /nfs/dbraw/zinc/33/27/65/489332765.db2.gz KJFDPGPLWKUVMY-CQSZACIVSA-N 2 2 361.446 0.981 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000370267519 489337344 /nfs/dbraw/zinc/33/73/44/489337344.db2.gz SHKZWPLPMPBGKG-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000370267519 489337345 /nfs/dbraw/zinc/33/73/45/489337345.db2.gz SHKZWPLPMPBGKG-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC1 ZINC000370294175 489340717 /nfs/dbraw/zinc/34/07/17/489340717.db2.gz MFSBGLHNHSAETK-LSDHHAIUSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC1 ZINC000370294175 489340720 /nfs/dbraw/zinc/34/07/20/489340720.db2.gz MFSBGLHNHSAETK-LSDHHAIUSA-N 2 2 351.495 0.465 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000298718965 489356736 /nfs/dbraw/zinc/35/67/36/489356736.db2.gz NEGWSRASHUZDIG-UHFFFAOYSA-N 2 2 361.446 0.431 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561238 491249622 /nfs/dbraw/zinc/24/96/22/491249622.db2.gz BOPSDRIBOVMYPR-MJGOQNOKSA-N 2 2 362.474 0.426 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561238 491249624 /nfs/dbraw/zinc/24/96/24/491249624.db2.gz BOPSDRIBOVMYPR-MJGOQNOKSA-N 2 2 362.474 0.426 20 0 FCADLP C[NH2+][C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000286153120 489362128 /nfs/dbraw/zinc/36/21/28/489362128.db2.gz PYQAIJTYQOHPBE-GOSISDBHSA-N 3 2 371.489 0.404 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000563477881 491250397 /nfs/dbraw/zinc/25/03/97/491250397.db2.gz ROOBREKXMZOVKR-BBRMVZONSA-N 2 2 360.462 0.589 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511893 489369160 /nfs/dbraw/zinc/36/91/60/489369160.db2.gz BQFRABNKWOEORH-HUUCEWRRSA-N 2 2 351.495 0.465 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511893 489369162 /nfs/dbraw/zinc/36/91/62/489369162.db2.gz BQFRABNKWOEORH-HUUCEWRRSA-N 2 2 351.495 0.465 20 0 FCADLP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236331 489371919 /nfs/dbraw/zinc/37/19/19/489371919.db2.gz UNWSJFBDSDQLLH-MOPGFXCFSA-N 2 2 360.502 0.860 20 0 FCADLP C[N@H+]1CCN(CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236331 489371922 /nfs/dbraw/zinc/37/19/22/489371922.db2.gz UNWSJFBDSDQLLH-MOPGFXCFSA-N 2 2 360.502 0.860 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000298840831 489372582 /nfs/dbraw/zinc/37/25/82/489372582.db2.gz WQUZUQWMIUJFPA-WMZOPIPTSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000298840822 489372585 /nfs/dbraw/zinc/37/25/85/489372585.db2.gz WQUZUQWMIUJFPA-SJLPKXTDSA-N 2 2 373.501 0.839 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708207 489393069 /nfs/dbraw/zinc/39/30/69/489393069.db2.gz VWOVELKIAUIVBE-IAGOWNOFSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708207 489393072 /nfs/dbraw/zinc/39/30/72/489393072.db2.gz VWOVELKIAUIVBE-IAGOWNOFSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362705211 489393078 /nfs/dbraw/zinc/39/30/78/489393078.db2.gz WSSGHUXWWIZXGZ-BPQIPLTHSA-N 2 2 360.506 0.483 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362705211 489393079 /nfs/dbraw/zinc/39/30/79/489393079.db2.gz WSSGHUXWWIZXGZ-BPQIPLTHSA-N 2 2 360.506 0.483 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000362711165 489393983 /nfs/dbraw/zinc/39/39/83/489393983.db2.gz OBVCQKBDMOAHFK-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000362711165 489393986 /nfs/dbraw/zinc/39/39/86/489393986.db2.gz OBVCQKBDMOAHFK-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000299010563 489394413 /nfs/dbraw/zinc/39/44/13/489394413.db2.gz AREYGBYNEIQRCK-UHFFFAOYSA-N 2 2 371.489 0.689 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000299010563 489394415 /nfs/dbraw/zinc/39/44/15/489394415.db2.gz AREYGBYNEIQRCK-UHFFFAOYSA-N 2 2 371.489 0.689 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286532273 489401751 /nfs/dbraw/zinc/40/17/51/489401751.db2.gz IAUOVIICNHLYEO-CABCVRRESA-N 2 2 365.478 0.313 20 0 FCADLP CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362952057 489407567 /nfs/dbraw/zinc/40/75/67/489407567.db2.gz LTJRUOXNPCGYQJ-HUUCEWRRSA-N 2 2 353.511 0.759 20 0 FCADLP CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362952057 489407570 /nfs/dbraw/zinc/40/75/70/489407570.db2.gz LTJRUOXNPCGYQJ-HUUCEWRRSA-N 2 2 353.511 0.759 20 0 FCADLP CN(C(=O)c1cccc(-n2cnnn2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370841866 489410039 /nfs/dbraw/zinc/41/00/39/489410039.db2.gz OSUWWBMVCJHJCQ-SFHVURJKSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1cccc(-n2cnnn2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370841866 489410041 /nfs/dbraw/zinc/41/00/41/489410041.db2.gz OSUWWBMVCJHJCQ-SFHVURJKSA-N 2 2 369.473 0.903 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1Cl ZINC000563549595 491254360 /nfs/dbraw/zinc/25/43/60/491254360.db2.gz JRGSTMOJLLZVEF-SLEUVZQESA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1Cl ZINC000563549595 491254362 /nfs/dbraw/zinc/25/43/62/491254362.db2.gz JRGSTMOJLLZVEF-SLEUVZQESA-N 2 2 350.850 0.761 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000363109260 489424550 /nfs/dbraw/zinc/42/45/50/489424550.db2.gz OAQAOKGYDGRRKI-MOPGFXCFSA-N 2 2 358.486 0.566 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000363109260 489424553 /nfs/dbraw/zinc/42/45/53/489424553.db2.gz OAQAOKGYDGRRKI-MOPGFXCFSA-N 2 2 358.486 0.566 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CCO)CCO)CC2)cc1 ZINC000370901820 489425438 /nfs/dbraw/zinc/42/54/38/489425438.db2.gz BWABQCSQVJLREB-UHFFFAOYSA-N 2 2 365.474 0.016 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CCO)CCO)CC2)cc1 ZINC000370901820 489425441 /nfs/dbraw/zinc/42/54/41/489425441.db2.gz BWABQCSQVJLREB-UHFFFAOYSA-N 2 2 365.474 0.016 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000286784058 489428574 /nfs/dbraw/zinc/42/85/74/489428574.db2.gz ZEDNHYGHQGQTPF-HRCADAONSA-N 2 2 363.462 0.130 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000286784058 489428577 /nfs/dbraw/zinc/42/85/77/489428577.db2.gz ZEDNHYGHQGQTPF-HRCADAONSA-N 2 2 363.462 0.130 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000363357256 489456667 /nfs/dbraw/zinc/45/66/67/489456667.db2.gz XNRUICQEUBTNGD-UHFFFAOYSA-N 2 2 366.466 0.059 20 0 FCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371337180 489478328 /nfs/dbraw/zinc/47/83/28/489478328.db2.gz STUZUNOIRQCBCY-QZTJIDSGSA-N 2 2 354.539 0.877 20 0 FCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371337180 489478330 /nfs/dbraw/zinc/47/83/30/489478330.db2.gz STUZUNOIRQCBCY-QZTJIDSGSA-N 2 2 354.539 0.877 20 0 FCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371337182 489478358 /nfs/dbraw/zinc/47/83/58/489478358.db2.gz STUZUNOIRQCBCY-ZWKOTPCHSA-N 2 2 354.539 0.877 20 0 FCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371337182 489478360 /nfs/dbraw/zinc/47/83/60/489478360.db2.gz STUZUNOIRQCBCY-ZWKOTPCHSA-N 2 2 354.539 0.877 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000563581465 491256219 /nfs/dbraw/zinc/25/62/19/491256219.db2.gz JGSXRUKCSJMQLY-GJZGRUSLSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000563581465 491256221 /nfs/dbraw/zinc/25/62/21/491256221.db2.gz JGSXRUKCSJMQLY-GJZGRUSLSA-N 2 2 365.865 0.730 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580176 489480884 /nfs/dbraw/zinc/48/08/84/489480884.db2.gz LKXASJZRSLWVRM-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580176 489480887 /nfs/dbraw/zinc/48/08/87/489480887.db2.gz LKXASJZRSLWVRM-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580176 489480890 /nfs/dbraw/zinc/48/08/90/489480890.db2.gz LKXASJZRSLWVRM-JKSUJKDBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580176 489480892 /nfs/dbraw/zinc/48/08/92/489480892.db2.gz LKXASJZRSLWVRM-JKSUJKDBSA-N 2 2 353.511 0.175 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2C1 ZINC000371400673 489482997 /nfs/dbraw/zinc/48/29/97/489482997.db2.gz INTHFTOXLBMCRS-QZTJIDSGSA-N 2 2 372.469 0.628 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2C1 ZINC000371400673 489482998 /nfs/dbraw/zinc/48/29/98/489482998.db2.gz INTHFTOXLBMCRS-QZTJIDSGSA-N 2 2 372.469 0.628 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423099762 489493293 /nfs/dbraw/zinc/49/32/93/489493293.db2.gz MKIUXQRWKIVWOD-WCQYABFASA-N 2 2 363.430 0.600 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)n1C ZINC000414358715 489497729 /nfs/dbraw/zinc/49/77/29/489497729.db2.gz HOYIHLRONZFHNY-UHFFFAOYSA-N 2 2 357.505 0.958 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423240096 489506567 /nfs/dbraw/zinc/50/65/67/489506567.db2.gz KIDGHISLTDPKMY-INIZCTEOSA-N 2 2 366.506 0.014 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000423255337 489507637 /nfs/dbraw/zinc/50/76/37/489507637.db2.gz BSCIDWCKFGRXMU-CVEARBPZSA-N 2 2 374.485 0.708 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)CC2)cc1 ZINC000451621517 489512329 /nfs/dbraw/zinc/51/23/29/489512329.db2.gz BVUXQJPZYOZROB-AZUAARDMSA-N 2 2 372.513 0.975 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)cc1 ZINC000451621517 489512332 /nfs/dbraw/zinc/51/23/32/489512332.db2.gz BVUXQJPZYOZROB-AZUAARDMSA-N 2 2 372.513 0.975 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423295010 489512870 /nfs/dbraw/zinc/51/28/70/489512870.db2.gz DDYKWCBOCIEWRR-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423295010 489512872 /nfs/dbraw/zinc/51/28/72/489512872.db2.gz DDYKWCBOCIEWRR-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000451636300 489513612 /nfs/dbraw/zinc/51/36/12/489513612.db2.gz ZMLIAYYBQCWUAO-HUUCEWRRSA-N 2 2 373.461 0.169 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415373687 489516361 /nfs/dbraw/zinc/51/63/61/489516361.db2.gz JGFMTHDKMYIEDB-MRXNPFEDSA-N 2 2 360.458 0.668 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)[NH+]1CCOCC1 ZINC000451701620 489518537 /nfs/dbraw/zinc/51/85/37/489518537.db2.gz HNAUAPBTWJZFTD-IXDOHACOSA-N 2 2 353.507 0.696 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)[NH+]1CCOCC1 ZINC000451701620 489518539 /nfs/dbraw/zinc/51/85/39/489518539.db2.gz HNAUAPBTWJZFTD-IXDOHACOSA-N 2 2 353.507 0.696 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000415454395 489522395 /nfs/dbraw/zinc/52/23/95/489522395.db2.gz NZNKNABDVDFMCK-SFHVURJKSA-N 2 2 373.501 0.616 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000415471706 489524004 /nfs/dbraw/zinc/52/40/04/489524004.db2.gz RJUBRYNRHSGOPI-GOSISDBHSA-N 2 2 373.501 0.712 20 0 FCADLP COC[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451927033 489531500 /nfs/dbraw/zinc/53/15/00/489531500.db2.gz NAOLRMJGSQEFAG-SFHVURJKSA-N 2 2 367.515 0.723 20 0 FCADLP COC[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451927033 489531502 /nfs/dbraw/zinc/53/15/02/489531502.db2.gz NAOLRMJGSQEFAG-SFHVURJKSA-N 2 2 367.515 0.723 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638093 491261535 /nfs/dbraw/zinc/26/15/35/491261535.db2.gz XQHYHAJANCNWEA-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638093 491261536 /nfs/dbraw/zinc/26/15/36/491261536.db2.gz XQHYHAJANCNWEA-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000555638093 491261539 /nfs/dbraw/zinc/26/15/39/491261539.db2.gz XQHYHAJANCNWEA-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000555638093 491261541 /nfs/dbraw/zinc/26/15/41/491261541.db2.gz XQHYHAJANCNWEA-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000563660969 491261594 /nfs/dbraw/zinc/26/15/94/491261594.db2.gz YHOZJBCNWNEVGC-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000425907678 489547197 /nfs/dbraw/zinc/54/71/97/489547197.db2.gz DCHVPAAZJRAREM-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000425907678 489547198 /nfs/dbraw/zinc/54/71/98/489547198.db2.gz DCHVPAAZJRAREM-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426049873 489553577 /nfs/dbraw/zinc/55/35/77/489553577.db2.gz NFQSEHWNBIVGFM-IYBDPMFKSA-N 2 2 367.538 0.946 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426049873 489553580 /nfs/dbraw/zinc/55/35/80/489553580.db2.gz NFQSEHWNBIVGFM-IYBDPMFKSA-N 2 2 367.538 0.946 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415816584 489554833 /nfs/dbraw/zinc/55/48/33/489554833.db2.gz NZORZCMRCIWUQF-PBHICJAKSA-N 2 2 358.442 0.278 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415890380 489563424 /nfs/dbraw/zinc/56/34/24/489563424.db2.gz HWCVYKXJTJSZSS-RDJZCZTQSA-N 2 2 372.469 0.525 20 0 FCADLP Cc1cccc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)c1 ZINC000372312360 489569834 /nfs/dbraw/zinc/56/98/34/489569834.db2.gz WFIXUFFERHHICF-PMACEKPBSA-N 2 2 372.513 0.874 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000555668134 491263830 /nfs/dbraw/zinc/26/38/30/491263830.db2.gz PDBNSSVDPLPRSA-HNNXBMFYSA-N 2 2 370.538 0.696 20 0 FCADLP O=C(CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000570785854 491264404 /nfs/dbraw/zinc/26/44/04/491264404.db2.gz AQBJMORTBSLBDD-DAXSKMNVSA-N 2 2 371.485 0.459 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535224 489596553 /nfs/dbraw/zinc/59/65/53/489596553.db2.gz SPIQEDLXGFSCHD-HZPDHXFCSA-N 2 2 365.478 0.912 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535224 489596556 /nfs/dbraw/zinc/59/65/56/489596556.db2.gz SPIQEDLXGFSCHD-HZPDHXFCSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535224 489596558 /nfs/dbraw/zinc/59/65/58/489596558.db2.gz SPIQEDLXGFSCHD-HZPDHXFCSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535224 489596562 /nfs/dbraw/zinc/59/65/62/489596562.db2.gz SPIQEDLXGFSCHD-HZPDHXFCSA-N 2 2 365.478 0.912 20 0 FCADLP O=C(C[C@@H]1CC[NH2+]C1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000427280359 489600622 /nfs/dbraw/zinc/60/06/22/489600622.db2.gz JIXLGAUWHXDUCP-INIZCTEOSA-N 2 2 350.507 0.827 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427303736 489601599 /nfs/dbraw/zinc/60/15/99/489601599.db2.gz CTQNDVVDOQDNJZ-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372649743 489615564 /nfs/dbraw/zinc/61/55/64/489615564.db2.gz OMCUKDDZHBOMBT-UFYCRDLUSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372649743 489615568 /nfs/dbraw/zinc/61/55/68/489615568.db2.gz OMCUKDDZHBOMBT-UFYCRDLUSA-N 2 2 373.497 0.945 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570815683 491266640 /nfs/dbraw/zinc/26/66/40/491266640.db2.gz CZXASGSXJIFIIJ-MZMPZRCHSA-N 2 2 360.462 0.525 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000372755387 489634047 /nfs/dbraw/zinc/63/40/47/489634047.db2.gz BGQBHPFPIUPIQG-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000372755387 489634050 /nfs/dbraw/zinc/63/40/50/489634050.db2.gz BGQBHPFPIUPIQG-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000372755387 489634054 /nfs/dbraw/zinc/63/40/54/489634054.db2.gz BGQBHPFPIUPIQG-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000372755387 489634055 /nfs/dbraw/zinc/63/40/55/489634055.db2.gz BGQBHPFPIUPIQG-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000428039740 489634103 /nfs/dbraw/zinc/63/41/03/489634103.db2.gz GJNNSUPRLIXPHK-PMACEKPBSA-N 2 2 372.513 0.819 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000372775867 489635257 /nfs/dbraw/zinc/63/52/57/489635257.db2.gz JUYARAOOUPLMPI-WMZOPIPTSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000372775867 489635259 /nfs/dbraw/zinc/63/52/59/489635259.db2.gz JUYARAOOUPLMPI-WMZOPIPTSA-N 2 2 351.491 0.811 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@H](C[NH3+])C1 ZINC000417269168 489646195 /nfs/dbraw/zinc/64/61/95/489646195.db2.gz MEWUBBMVXCWXGC-HLLBOEOZSA-N 2 2 356.536 0.963 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417275028 489646236 /nfs/dbraw/zinc/64/62/36/489646236.db2.gz UZDPXZDDZYKZKH-ZOBUZTSGSA-N 2 2 356.536 0.963 20 0 FCADLP COC[C@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]1 ZINC000417273831 489646255 /nfs/dbraw/zinc/64/62/55/489646255.db2.gz TUUUBGXFPARFSJ-SJORKVTESA-N 2 2 372.535 0.262 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000417291916 489646695 /nfs/dbraw/zinc/64/66/95/489646695.db2.gz BMSUIOLKQSAKEN-QGZVFWFLSA-N 2 2 362.474 0.901 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000417315932 489648218 /nfs/dbraw/zinc/64/82/18/489648218.db2.gz DLYIQOKVVVAJPI-KRWDZBQOSA-N 2 2 362.474 0.901 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417370911 489650417 /nfs/dbraw/zinc/65/04/17/489650417.db2.gz UOSNKHOQMFMDHH-INIZCTEOSA-N 2 2 374.489 0.514 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCO1 ZINC000417429254 489652689 /nfs/dbraw/zinc/65/26/89/489652689.db2.gz UWUOBJGIEKFSTH-HNNXBMFYSA-N 2 2 369.510 0.126 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCO1 ZINC000417429254 489652692 /nfs/dbraw/zinc/65/26/92/489652692.db2.gz UWUOBJGIEKFSTH-HNNXBMFYSA-N 2 2 369.510 0.126 20 0 FCADLP C[NH+](C)CCN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000457627143 489652839 /nfs/dbraw/zinc/65/28/39/489652839.db2.gz JHIHVHWQABDWFU-QGZVFWFLSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH2+]CCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417628348 489660072 /nfs/dbraw/zinc/66/00/72/489660072.db2.gz PGPICLYSPKZHGU-UHFFFAOYSA-N 2 2 353.511 0.620 20 0 FCADLP CC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373062145 489665466 /nfs/dbraw/zinc/66/54/66/489665466.db2.gz ANFQEQQJUJSROQ-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373062145 489665467 /nfs/dbraw/zinc/66/54/67/489665467.db2.gz ANFQEQQJUJSROQ-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CCCNC(=O)C1CCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000428962524 489668485 /nfs/dbraw/zinc/66/84/85/489668485.db2.gz KHNYIWRBGVMGLD-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417847310 489668570 /nfs/dbraw/zinc/66/85/70/489668570.db2.gz QOOIQJUPIYUDST-UHFFFAOYSA-N 2 2 356.474 0.830 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000373224499 489680043 /nfs/dbraw/zinc/68/00/43/489680043.db2.gz VDXOTSQPHCUFKQ-KZNAEPCWSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000373224499 489680047 /nfs/dbraw/zinc/68/00/47/489680047.db2.gz VDXOTSQPHCUFKQ-KZNAEPCWSA-N 2 2 352.523 0.724 20 0 FCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000458390512 489680303 /nfs/dbraw/zinc/68/03/03/489680303.db2.gz IDRMTJJKISBJGP-SFHVURJKSA-N 2 2 369.554 0.502 20 0 FCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000458390512 489680306 /nfs/dbraw/zinc/68/03/06/489680306.db2.gz IDRMTJJKISBJGP-SFHVURJKSA-N 2 2 369.554 0.502 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000418453499 489698796 /nfs/dbraw/zinc/69/87/96/489698796.db2.gz ZILAGPCGFKVBQB-ZDUSSCGKSA-N 2 2 360.466 0.712 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000489361151 489708187 /nfs/dbraw/zinc/70/81/87/489708187.db2.gz MQTJMFUKSVOMIA-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000489361151 489708192 /nfs/dbraw/zinc/70/81/92/489708192.db2.gz MQTJMFUKSVOMIA-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000489361151 489708196 /nfs/dbraw/zinc/70/81/96/489708196.db2.gz MQTJMFUKSVOMIA-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000489361151 489708202 /nfs/dbraw/zinc/70/82/02/489708202.db2.gz MQTJMFUKSVOMIA-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418595438 489708863 /nfs/dbraw/zinc/70/88/63/489708863.db2.gz WSQSJANVCSIUST-HZPDHXFCSA-N 2 2 353.511 0.713 20 0 FCADLP COCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCO[C@H]1C ZINC000489406563 489710287 /nfs/dbraw/zinc/71/02/87/489710287.db2.gz QBRCVTMNNZVDRU-HOTGVXAUSA-N 2 2 357.495 0.339 20 0 FCADLP COCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCO[C@H]1C ZINC000489406563 489710292 /nfs/dbraw/zinc/71/02/92/489710292.db2.gz QBRCVTMNNZVDRU-HOTGVXAUSA-N 2 2 357.495 0.339 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000469549018 489712107 /nfs/dbraw/zinc/71/21/07/489712107.db2.gz GCHMWHWANGKYEY-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000570914890 491273422 /nfs/dbraw/zinc/27/34/22/491273422.db2.gz HBTHUZLQSWRFIT-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000570914890 491273423 /nfs/dbraw/zinc/27/34/23/491273423.db2.gz HBTHUZLQSWRFIT-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000418656498 489716248 /nfs/dbraw/zinc/71/62/48/489716248.db2.gz SNCLRAHLZATQOY-AEFFLSMTSA-N 2 2 364.490 0.583 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(OCCO)CC1 ZINC000555799339 491273683 /nfs/dbraw/zinc/27/36/83/491273683.db2.gz FWMLFXYMHFLRIA-MRXNPFEDSA-N 2 2 362.474 0.592 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000418758261 489723336 /nfs/dbraw/zinc/72/33/36/489723336.db2.gz CHKIKSRBTLWGRY-MRXNPFEDSA-N 2 2 351.495 0.468 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000489822749 489730091 /nfs/dbraw/zinc/73/00/91/489730091.db2.gz DXLBOJNAAUBLKN-AZUAARDMSA-N 2 2 371.529 0.609 20 0 FCADLP CC(C)CN1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)C1=O ZINC000430310397 489730620 /nfs/dbraw/zinc/73/06/20/489730620.db2.gz ATXBDTUABQGUCV-MRXNPFEDSA-N 2 2 367.538 0.911 20 0 FCADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489886668 489733211 /nfs/dbraw/zinc/73/32/11/489733211.db2.gz QHPBNIURTKEFQM-LSDHHAIUSA-N 2 2 366.456 0.992 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NCCn2cc[nH+]c2)CCC(=O)N1C1CC1 ZINC000489903323 489734133 /nfs/dbraw/zinc/73/41/33/489734133.db2.gz ZBPLHDROJJNEBX-RHSMWYFYSA-N 2 2 356.430 0.875 20 0 FCADLP CC(C)[C@@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(N)=O ZINC000459481119 489734826 /nfs/dbraw/zinc/73/48/26/489734826.db2.gz MNJGPRCAYHLGMU-QGZVFWFLSA-N 2 2 352.504 0.882 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000570990675 491278610 /nfs/dbraw/zinc/27/86/10/491278610.db2.gz NVBOCDVVPDKXRL-UHFFFAOYSA-N 2 2 361.490 0.726 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489940579 489736367 /nfs/dbraw/zinc/73/63/67/489736367.db2.gz IZYALXMVJSWDLY-KSSFIOAISA-N 2 2 359.474 0.952 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCCOc1ccccc1F ZINC000489938443 489736512 /nfs/dbraw/zinc/73/65/12/489736512.db2.gz WYJZRKKTPCKAHG-INIZCTEOSA-N 2 2 364.465 0.690 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000489944597 489736973 /nfs/dbraw/zinc/73/69/73/489736973.db2.gz YSUDYTDNJLIABW-MRXNPFEDSA-N 2 2 359.474 0.931 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489953130 489737836 /nfs/dbraw/zinc/73/78/36/489737836.db2.gz BWYXLWUROLLSGU-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418822543 489739386 /nfs/dbraw/zinc/73/93/86/489739386.db2.gz AVJNBNRQXKPPNL-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418822543 489739391 /nfs/dbraw/zinc/73/93/91/489739391.db2.gz AVJNBNRQXKPPNL-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000418826121 489740839 /nfs/dbraw/zinc/74/08/39/489740839.db2.gz CGRPSQXAECQWOY-DLBZAZTESA-N 2 2 374.485 0.167 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899278 491275779 /nfs/dbraw/zinc/27/57/79/491275779.db2.gz SEFQWDNJLOJLJQ-RTBURBONSA-N 2 2 370.497 0.712 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899278 491275781 /nfs/dbraw/zinc/27/57/81/491275781.db2.gz SEFQWDNJLOJLJQ-RTBURBONSA-N 2 2 370.497 0.712 20 0 FCADLP C[NH2+]C[C@H]1CCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000430581539 489748401 /nfs/dbraw/zinc/74/84/01/489748401.db2.gz JJLAKVBBQQFTKI-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000430579028 489748469 /nfs/dbraw/zinc/74/84/69/489748469.db2.gz QCOWJVDILZFULA-HNNXBMFYSA-N 2 2 368.503 0.528 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000430579028 489748471 /nfs/dbraw/zinc/74/84/71/489748471.db2.gz QCOWJVDILZFULA-HNNXBMFYSA-N 2 2 368.503 0.528 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)ccc1C ZINC000430583507 489748602 /nfs/dbraw/zinc/74/86/02/489748602.db2.gz MQZYIXMTLVIMKM-INIZCTEOSA-N 2 2 354.476 0.559 20 0 FCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C1CC1 ZINC000430593595 489748965 /nfs/dbraw/zinc/74/89/65/489748965.db2.gz PEOQJCHNVLBYBY-NRFANRHFSA-N 2 2 372.513 0.983 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000430589415 489749334 /nfs/dbraw/zinc/74/93/34/489749334.db2.gz AKMGMABGUSRIGU-KBPBESRZSA-N 2 2 368.503 0.901 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000430589415 489749336 /nfs/dbraw/zinc/74/93/36/489749336.db2.gz AKMGMABGUSRIGU-KBPBESRZSA-N 2 2 368.503 0.901 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430586260 489749483 /nfs/dbraw/zinc/74/94/83/489749483.db2.gz YIGBBSPPYZJBKL-QWHCGFSZSA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430586260 489749487 /nfs/dbraw/zinc/74/94/87/489749487.db2.gz YIGBBSPPYZJBKL-QWHCGFSZSA-N 2 2 354.476 0.640 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000430600753 489750411 /nfs/dbraw/zinc/75/04/11/489750411.db2.gz YJDSELWXUATCJH-RDJZCZTQSA-N 2 2 359.536 0.908 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418840867 489751167 /nfs/dbraw/zinc/75/11/67/489751167.db2.gz YHDADWCWVWAWKJ-AEFFLSMTSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418840867 489751169 /nfs/dbraw/zinc/75/11/69/489751169.db2.gz YHDADWCWVWAWKJ-AEFFLSMTSA-N 2 2 374.485 0.119 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607252 489751860 /nfs/dbraw/zinc/75/18/60/489751860.db2.gz BRVMXNWUGWEBJQ-GOEBONIOSA-N 2 2 360.458 0.379 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607252 489751862 /nfs/dbraw/zinc/75/18/62/489751862.db2.gz BRVMXNWUGWEBJQ-GOEBONIOSA-N 2 2 360.458 0.379 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000430609127 489752106 /nfs/dbraw/zinc/75/21/06/489752106.db2.gz GSLQLZZMKXOSDZ-GOSISDBHSA-N 2 2 370.457 0.604 20 0 FCADLP CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430608252 489752307 /nfs/dbraw/zinc/75/23/07/489752307.db2.gz DVXBLJWOCJYTNA-LBPRGKRZSA-N 2 2 353.492 0.739 20 0 FCADLP CCc1nc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430608252 489752310 /nfs/dbraw/zinc/75/23/10/489752310.db2.gz DVXBLJWOCJYTNA-LBPRGKRZSA-N 2 2 353.492 0.739 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430606706 489752349 /nfs/dbraw/zinc/75/23/49/489752349.db2.gz AESPULFVLFOGRT-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430606706 489752352 /nfs/dbraw/zinc/75/23/52/489752352.db2.gz AESPULFVLFOGRT-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000418842366 489752376 /nfs/dbraw/zinc/75/23/76/489752376.db2.gz ZVWUJWCTHZTNFR-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000418842366 489752380 /nfs/dbraw/zinc/75/23/80/489752380.db2.gz ZVWUJWCTHZTNFR-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000418846259 489753597 /nfs/dbraw/zinc/75/35/97/489753597.db2.gz QWOMFTMUSWZFOB-GOEBONIOSA-N 2 2 355.442 0.932 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000430616486 489754712 /nfs/dbraw/zinc/75/47/12/489754712.db2.gz FRGPQLUBRKAUQF-ZDUSSCGKSA-N 2 2 364.446 0.394 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000430616486 489754718 /nfs/dbraw/zinc/75/47/18/489754718.db2.gz FRGPQLUBRKAUQF-ZDUSSCGKSA-N 2 2 364.446 0.394 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000430626739 489758049 /nfs/dbraw/zinc/75/80/49/489758049.db2.gz SDNILMQBSHPYEH-HNNXBMFYSA-N 2 2 350.850 0.809 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000430626739 489758051 /nfs/dbraw/zinc/75/80/51/489758051.db2.gz SDNILMQBSHPYEH-HNNXBMFYSA-N 2 2 350.850 0.809 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430635385 489759189 /nfs/dbraw/zinc/75/91/89/489759189.db2.gz VINRKFOHGRBTEQ-UHFFFAOYSA-N 2 2 370.400 0.268 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430635385 489759193 /nfs/dbraw/zinc/75/91/93/489759193.db2.gz VINRKFOHGRBTEQ-UHFFFAOYSA-N 2 2 370.400 0.268 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430645054 489762349 /nfs/dbraw/zinc/76/23/49/489762349.db2.gz NJXVUAPAKKVDJP-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430645054 489762353 /nfs/dbraw/zinc/76/23/53/489762353.db2.gz NJXVUAPAKKVDJP-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000430689410 489764390 /nfs/dbraw/zinc/76/43/90/489764390.db2.gz CPYOADISFJAPMV-ZMSDIMECSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430703099 489765739 /nfs/dbraw/zinc/76/57/39/489765739.db2.gz JMTJECRVYSXJIB-FZKCQIBNSA-N 2 2 354.495 0.093 20 0 FCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459847874 489767710 /nfs/dbraw/zinc/76/77/10/489767710.db2.gz DHIUJRKSUTVCIO-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459847874 489767716 /nfs/dbraw/zinc/76/77/16/489767716.db2.gz DHIUJRKSUTVCIO-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000418881114 489773678 /nfs/dbraw/zinc/77/36/78/489773678.db2.gz WVCYMZGWNWOGLL-DOMZBBRYSA-N 2 2 352.866 0.927 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000418883863 489774344 /nfs/dbraw/zinc/77/43/44/489774344.db2.gz DJMXODPYZZWWJM-UHFFFAOYSA-N 2 2 353.373 0.561 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000430925805 489777598 /nfs/dbraw/zinc/77/75/98/489777598.db2.gz MPAHPGMNYXPTOQ-INIZCTEOSA-N 2 2 358.486 0.949 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000430925805 489777603 /nfs/dbraw/zinc/77/76/03/489777603.db2.gz MPAHPGMNYXPTOQ-INIZCTEOSA-N 2 2 358.486 0.949 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934549 489779700 /nfs/dbraw/zinc/77/97/00/489779700.db2.gz NBJCXFRAXAYDFX-IHRRRGAJSA-N 2 2 368.503 0.441 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934549 489779703 /nfs/dbraw/zinc/77/97/03/489779703.db2.gz NBJCXFRAXAYDFX-IHRRRGAJSA-N 2 2 368.503 0.441 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000430970769 489783234 /nfs/dbraw/zinc/78/32/34/489783234.db2.gz IREYJFJANOUCGA-WFASDCNBSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000430970769 489783238 /nfs/dbraw/zinc/78/32/38/489783238.db2.gz IREYJFJANOUCGA-WFASDCNBSA-N 2 2 351.447 0.998 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000418906146 489784701 /nfs/dbraw/zinc/78/47/01/489784701.db2.gz FLQWHMRHHSHHHZ-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000570921397 491273388 /nfs/dbraw/zinc/27/33/88/491273388.db2.gz ZNJPQDAPEUWDBS-CSFFLVESSA-N 2 2 355.523 0.424 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000490897041 489788478 /nfs/dbraw/zinc/78/84/78/489788478.db2.gz ARIUZWDBAXEVNO-UHFFFAOYSA-N 2 2 371.551 0.325 20 0 FCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916154 489790199 /nfs/dbraw/zinc/79/01/99/489790199.db2.gz WHXUQSQXRZGMME-KCXAZCMYSA-N 2 2 366.412 0.776 20 0 FCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916154 489790201 /nfs/dbraw/zinc/79/02/01/489790201.db2.gz WHXUQSQXRZGMME-KCXAZCMYSA-N 2 2 366.412 0.776 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459914809 489790158 /nfs/dbraw/zinc/79/01/58/489790158.db2.gz ASIYHJBEWQOUOI-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459914809 489790161 /nfs/dbraw/zinc/79/01/61/489790161.db2.gz ASIYHJBEWQOUOI-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459914809 489790165 /nfs/dbraw/zinc/79/01/65/489790165.db2.gz ASIYHJBEWQOUOI-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459914809 489790167 /nfs/dbraw/zinc/79/01/67/489790167.db2.gz ASIYHJBEWQOUOI-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000459915608 489791124 /nfs/dbraw/zinc/79/11/24/489791124.db2.gz HNFIGGSJMWEYCG-QGZVFWFLSA-N 2 2 368.522 0.500 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000459915608 489791127 /nfs/dbraw/zinc/79/11/27/489791127.db2.gz HNFIGGSJMWEYCG-QGZVFWFLSA-N 2 2 368.522 0.500 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000474888228 489792596 /nfs/dbraw/zinc/79/25/96/489792596.db2.gz OPPNSTKOEUYXET-UHFFFAOYSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000474888228 489792597 /nfs/dbraw/zinc/79/25/97/489792597.db2.gz OPPNSTKOEUYXET-UHFFFAOYSA-N 2 2 356.511 0.448 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000490995009 489792606 /nfs/dbraw/zinc/79/26/06/489792606.db2.gz MYBKZPGQBKHPJZ-MJGOQNOKSA-N 3 2 365.566 0.545 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000490995009 489792610 /nfs/dbraw/zinc/79/26/10/489792610.db2.gz MYBKZPGQBKHPJZ-MJGOQNOKSA-N 3 2 365.566 0.545 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000418945510 489799746 /nfs/dbraw/zinc/79/97/46/489799746.db2.gz PQSIEKWTCMYVID-UHFFFAOYSA-N 2 2 364.515 0.680 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000418945510 489799748 /nfs/dbraw/zinc/79/97/48/489799748.db2.gz PQSIEKWTCMYVID-UHFFFAOYSA-N 2 2 364.515 0.680 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000376811629 489800202 /nfs/dbraw/zinc/80/02/02/489800202.db2.gz RBCMTZVMIONZRV-UHFFFAOYSA-N 2 2 361.446 0.511 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000376811629 489800206 /nfs/dbraw/zinc/80/02/06/489800206.db2.gz RBCMTZVMIONZRV-UHFFFAOYSA-N 2 2 361.446 0.511 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H](C)C[NH2+]1 ZINC000418950579 489801128 /nfs/dbraw/zinc/80/11/28/489801128.db2.gz WFSUTOZEEBENOR-OLZOCXBDSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H](C)C[NH2+]1 ZINC000418950579 489801133 /nfs/dbraw/zinc/80/11/33/489801133.db2.gz WFSUTOZEEBENOR-OLZOCXBDSA-N 2 2 350.488 0.431 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000475041529 489803576 /nfs/dbraw/zinc/80/35/76/489803576.db2.gz ZVTKCFMJXJONCX-IBGZPJMESA-N 3 2 362.518 0.794 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000475041529 489803579 /nfs/dbraw/zinc/80/35/79/489803579.db2.gz ZVTKCFMJXJONCX-IBGZPJMESA-N 3 2 362.518 0.794 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000459983073 489809396 /nfs/dbraw/zinc/80/93/96/489809396.db2.gz FMTNCMOJKPLAJV-GJZGRUSLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000459983073 489809399 /nfs/dbraw/zinc/80/93/99/489809399.db2.gz FMTNCMOJKPLAJV-GJZGRUSLSA-N 2 2 354.495 0.107 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418997132 489813328 /nfs/dbraw/zinc/81/33/28/489813328.db2.gz OGCYRZLOOMJKOA-DZGCQCFKSA-N 2 2 357.458 0.965 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419005867 489815328 /nfs/dbraw/zinc/81/53/28/489815328.db2.gz VZQLURWJWKGJJU-BZUAXINKSA-N 2 2 369.469 0.965 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C)C[NH2+]1 ZINC000419025128 489822434 /nfs/dbraw/zinc/82/24/34/489822434.db2.gz LWCUUKABBPWCDO-CHWSQXEVSA-N 2 2 359.405 0.836 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000419029734 489824827 /nfs/dbraw/zinc/82/48/27/489824827.db2.gz RXZOPBZOIUVYIF-JSGCOSHPSA-N 2 2 359.405 0.823 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000460032982 489825796 /nfs/dbraw/zinc/82/57/96/489825796.db2.gz OPCIAGIUDCWTEQ-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419033456 489826533 /nfs/dbraw/zinc/82/65/33/489826533.db2.gz CHZJXZZSAUZTOO-HNNXBMFYSA-N 2 2 355.442 0.994 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000460035456 489826721 /nfs/dbraw/zinc/82/67/21/489826721.db2.gz UNAXZRLUWNTNSC-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419033713 489826856 /nfs/dbraw/zinc/82/68/56/489826856.db2.gz YUQLOQYDIYSERM-CABCVRRESA-N 2 2 371.416 0.696 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C[NH3+] ZINC000419043772 489832129 /nfs/dbraw/zinc/83/21/29/489832129.db2.gz RRAPJQBLXJMZPY-HOCLYGCPSA-N 2 2 355.442 0.932 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCC(=O)c1cccs1 ZINC000492661857 489834192 /nfs/dbraw/zinc/83/41/92/489834192.db2.gz TUBBXJSOOYUYQQ-UHFFFAOYSA-N 2 2 352.504 0.616 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCC(=O)c1cccs1 ZINC000492661857 489834195 /nfs/dbraw/zinc/83/41/95/489834195.db2.gz TUBBXJSOOYUYQQ-UHFFFAOYSA-N 2 2 352.504 0.616 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC000419055460 489837652 /nfs/dbraw/zinc/83/76/52/489837652.db2.gz BCQGHPUJSLHEPK-XJKCOSOUSA-N 2 2 373.432 0.974 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460074650 489843681 /nfs/dbraw/zinc/84/36/81/489843681.db2.gz KLIXMQSBFBXFAT-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[NH2+]1 ZINC000419070091 489844325 /nfs/dbraw/zinc/84/43/25/489844325.db2.gz GSGYRGZGQQYVAB-SWLSCSKDSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC[NH2+]1 ZINC000419070491 489844443 /nfs/dbraw/zinc/84/44/43/489844443.db2.gz HJQZWUZIVWZROV-SWLSCSKDSA-N 2 2 359.405 0.585 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419069806 489844733 /nfs/dbraw/zinc/84/47/33/489844733.db2.gz GNEAFJZZPOSHNW-OAHLLOKOSA-N 2 2 361.421 0.881 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H](C)O1 ZINC000419084224 489850346 /nfs/dbraw/zinc/85/03/46/489850346.db2.gz LDZAXXQNUAUTTB-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCS(=O)(=O)CC1 ZINC000493601663 489851969 /nfs/dbraw/zinc/85/19/69/489851969.db2.gz JCAHBRIHPLDSPO-INIZCTEOSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCS(=O)(=O)CC1 ZINC000493601663 489851971 /nfs/dbraw/zinc/85/19/71/489851971.db2.gz JCAHBRIHPLDSPO-INIZCTEOSA-N 2 2 359.536 0.686 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000460176380 489853856 /nfs/dbraw/zinc/85/38/56/489853856.db2.gz XFCOGGIYKRIQAR-SFHVURJKSA-N 2 2 369.554 0.766 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419109264 489857795 /nfs/dbraw/zinc/85/77/95/489857795.db2.gz ARJXJZSSCAPJHW-HOTGVXAUSA-N 2 2 354.495 0.047 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419110181 489858674 /nfs/dbraw/zinc/85/86/74/489858674.db2.gz BQMGJLYZWXHSJJ-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419111185 489859821 /nfs/dbraw/zinc/85/98/21/489859821.db2.gz DCPGTWCBMRPYBN-MRXNPFEDSA-N 2 2 368.522 0.355 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419112971 489860938 /nfs/dbraw/zinc/86/09/38/489860938.db2.gz GIRZLRMJLIFQCD-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000419116298 489862423 /nfs/dbraw/zinc/86/24/23/489862423.db2.gz LKKXKPWRLQESHV-INIZCTEOSA-N 2 2 368.522 0.627 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC000419115741 489862697 /nfs/dbraw/zinc/86/26/97/489862697.db2.gz KIEDRYFCYSKFLX-BZUAXINKSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419117613 489862731 /nfs/dbraw/zinc/86/27/31/489862731.db2.gz MKSHEQHGPUKBLQ-JYJNAYRXSA-N 2 2 354.495 0.093 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419120102 489864439 /nfs/dbraw/zinc/86/44/39/489864439.db2.gz PRFUWOXNNLOOKK-IAGOWNOFSA-N 2 2 368.522 0.355 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCC1 ZINC000419119869 489864559 /nfs/dbraw/zinc/86/45/59/489864559.db2.gz PPHONQXTPNEBHR-MRXNPFEDSA-N 2 2 359.474 0.932 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000419122768 489866918 /nfs/dbraw/zinc/86/69/18/489866918.db2.gz UNSUXNPSRKZAFC-HOCLYGCPSA-N 2 2 354.495 0.060 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000433129676 489867327 /nfs/dbraw/zinc/86/73/27/489867327.db2.gz ONSBZYALWISZMO-UHFFFAOYSA-N 3 2 361.490 0.738 20 0 FCADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000433133241 489867746 /nfs/dbraw/zinc/86/77/46/489867746.db2.gz YSSFBZZJEJHLQM-MRXNPFEDSA-N 2 2 368.503 0.792 20 0 FCADLP CS(=O)(=O)Nc1nnc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433153515 489868426 /nfs/dbraw/zinc/86/84/26/489868426.db2.gz PSOOSMHOQXUTNI-UHFFFAOYSA-N 2 2 362.481 0.051 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187868 489873070 /nfs/dbraw/zinc/87/30/70/489873070.db2.gz FFKBQHBXWCUTPU-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187868 489873073 /nfs/dbraw/zinc/87/30/73/489873073.db2.gz FFKBQHBXWCUTPU-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000433380658 489880081 /nfs/dbraw/zinc/88/00/81/489880081.db2.gz DNICXOPVDLQMCE-GJZGRUSLSA-N 2 2 350.467 0.289 20 0 FCADLP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000433382469 489880550 /nfs/dbraw/zinc/88/05/50/489880550.db2.gz OJZLDQMKLXPEAL-HOTGVXAUSA-N 2 2 362.478 0.530 20 0 FCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433388531 489880729 /nfs/dbraw/zinc/88/07/29/489880729.db2.gz UYMGNCAKNHGBSL-SNVBAGLBSA-N 2 2 357.340 0.891 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000420012595 489880763 /nfs/dbraw/zinc/88/07/63/489880763.db2.gz BHJBLVDSAJLTHD-RRFJBIMHSA-N 2 2 362.478 0.249 20 0 FCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)no1 ZINC000433383174 489880970 /nfs/dbraw/zinc/88/09/70/489880970.db2.gz ABYNJGQXEAWRIX-GFCCVEGCSA-N 2 2 361.450 0.917 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420020010 489882268 /nfs/dbraw/zinc/88/22/68/489882268.db2.gz RLHTVGARMBBFTB-HZPDHXFCSA-N 2 2 354.495 0.189 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000377313881 489883122 /nfs/dbraw/zinc/88/31/22/489883122.db2.gz AATXGABELNXJKD-WMZOPIPTSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420024401 489884153 /nfs/dbraw/zinc/88/41/53/489884153.db2.gz YDMYLSSMMYWBNW-QKPAOTATSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420024401 489884156 /nfs/dbraw/zinc/88/41/56/489884156.db2.gz YDMYLSSMMYWBNW-QKPAOTATSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000433559101 489892059 /nfs/dbraw/zinc/89/20/59/489892059.db2.gz GEPGHUGJBPAQDN-MRXNPFEDSA-N 2 2 354.495 0.507 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000420047936 489892638 /nfs/dbraw/zinc/89/26/38/489892638.db2.gz WOXPLQWPFJCEDM-OAHLLOKOSA-N 2 2 374.489 0.411 20 0 FCADLP Cn1nnnc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494541480 489894769 /nfs/dbraw/zinc/89/47/69/489894769.db2.gz GYJLVASISDESEE-UHFFFAOYSA-N 2 2 371.489 0.670 20 0 FCADLP Cn1nnnc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494541480 489894775 /nfs/dbraw/zinc/89/47/75/489894775.db2.gz GYJLVASISDESEE-UHFFFAOYSA-N 2 2 371.489 0.670 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000420053782 489895580 /nfs/dbraw/zinc/89/55/80/489895580.db2.gz GPBMBRQSRATMGQ-QEJZJMRPSA-N 2 2 362.430 0.291 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000420059764 489897725 /nfs/dbraw/zinc/89/77/25/489897725.db2.gz GROVWQHGANKBHG-GOSISDBHSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000433884854 489903720 /nfs/dbraw/zinc/90/37/20/489903720.db2.gz WRRBIJOFOXJRAK-HNNXBMFYSA-N 2 2 355.504 0.995 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000494710166 489906820 /nfs/dbraw/zinc/90/68/20/489906820.db2.gz UVJDRJFRWUSEHW-BRWVUGGUSA-N 2 2 373.501 0.858 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000494710166 489906822 /nfs/dbraw/zinc/90/68/22/489906822.db2.gz UVJDRJFRWUSEHW-BRWVUGGUSA-N 2 2 373.501 0.858 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000433988988 489908878 /nfs/dbraw/zinc/90/88/78/489908878.db2.gz VDLUKGDBDHFLDB-BRWVUGGUSA-N 2 2 356.511 0.848 20 0 FCADLP CC1(CNC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000420093653 489909244 /nfs/dbraw/zinc/90/92/44/489909244.db2.gz WZKXVATUCLHDHF-UHFFFAOYSA-N 2 2 364.515 0.898 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433995863 489909972 /nfs/dbraw/zinc/90/99/72/489909972.db2.gz BAGORCKSEQSMPP-ZWKOTPCHSA-N 2 2 362.518 0.729 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000434097769 489912947 /nfs/dbraw/zinc/91/29/47/489912947.db2.gz LVGJYSLKPFYWGI-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000434097769 489912954 /nfs/dbraw/zinc/91/29/54/489912954.db2.gz LVGJYSLKPFYWGI-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420104726 489913679 /nfs/dbraw/zinc/91/36/79/489913679.db2.gz RJZVBVITCPMNIO-RNHKPAHNSA-N 2 2 370.497 0.958 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420110365 489915918 /nfs/dbraw/zinc/91/59/18/489915918.db2.gz FQNOEXMBFUOGGS-JFIYKMOQSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420110365 489915920 /nfs/dbraw/zinc/91/59/20/489915920.db2.gz FQNOEXMBFUOGGS-JFIYKMOQSA-N 2 2 358.486 0.834 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420126997 489921548 /nfs/dbraw/zinc/92/15/48/489921548.db2.gz OPTWKOLATOQEJW-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000420128860 489922602 /nfs/dbraw/zinc/92/26/02/489922602.db2.gz UHOOZGDJWDAJEV-HNNXBMFYSA-N 3 2 355.527 0.105 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420128860 489922609 /nfs/dbraw/zinc/92/26/09/489922609.db2.gz UHOOZGDJWDAJEV-HNNXBMFYSA-N 3 2 355.527 0.105 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420136051 489925542 /nfs/dbraw/zinc/92/55/42/489925542.db2.gz FJFXSFMTBXHTMB-AEFFLSMTSA-N 2 2 358.486 0.753 20 0 FCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477026486 489932192 /nfs/dbraw/zinc/93/21/92/489932192.db2.gz RQNLDCFXMKCULA-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000556012197 491288999 /nfs/dbraw/zinc/28/89/99/491288999.db2.gz UXMIYAAULQPBIR-UHFFFAOYSA-N 2 2 355.442 0.758 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154874 489934290 /nfs/dbraw/zinc/93/42/90/489934290.db2.gz SRLDCMHIQUJEMO-LLVKDONJSA-N 2 2 360.430 0.664 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000564105679 491289216 /nfs/dbraw/zinc/28/92/16/491289216.db2.gz FLYXTQSFQFZOBT-JKSUJKDBSA-N 2 2 363.462 0.149 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420160043 489936657 /nfs/dbraw/zinc/93/66/57/489936657.db2.gz DHIZSFYTXNCJHD-MRXNPFEDSA-N 2 2 371.485 0.713 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000420166428 489937583 /nfs/dbraw/zinc/93/75/83/489937583.db2.gz IDDPJAOWWDAEBA-ZIAGYGMSSA-N 2 2 363.462 0.242 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420176621 489941326 /nfs/dbraw/zinc/94/13/26/489941326.db2.gz QLDCAFPVGBWLBP-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420176621 489941332 /nfs/dbraw/zinc/94/13/32/489941332.db2.gz QLDCAFPVGBWLBP-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420178144 489942732 /nfs/dbraw/zinc/94/27/32/489942732.db2.gz AGBUADVDPWMZSB-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420178144 489942735 /nfs/dbraw/zinc/94/27/35/489942735.db2.gz AGBUADVDPWMZSB-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420203344 489951578 /nfs/dbraw/zinc/95/15/78/489951578.db2.gz ODZLMTSGSAQGAO-RDJZCZTQSA-N 2 2 374.485 0.583 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)CCc1c[nH+]cn1C ZINC000477373691 489960755 /nfs/dbraw/zinc/96/07/55/489960755.db2.gz HSYCICYUDCIZHP-QGZVFWFLSA-N 2 2 374.489 0.976 20 0 FCADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420305065 489961277 /nfs/dbraw/zinc/96/12/77/489961277.db2.gz FVJISAVOPDWXMO-BETUJISGSA-N 2 2 350.850 0.888 20 0 FCADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420305065 489961280 /nfs/dbraw/zinc/96/12/80/489961280.db2.gz FVJISAVOPDWXMO-BETUJISGSA-N 2 2 350.850 0.888 20 0 FCADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1 ZINC000420306364 489961813 /nfs/dbraw/zinc/96/18/13/489961813.db2.gz ALQRQHWPXFNQAC-INIZCTEOSA-N 2 2 357.458 0.653 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(C(=O)OC)c1 ZINC000420308139 489961910 /nfs/dbraw/zinc/96/19/10/489961910.db2.gz CMBYYCLNPLBXOA-NEPJUHHUSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(C(=O)OC)c1 ZINC000420308139 489961914 /nfs/dbraw/zinc/96/19/14/489961914.db2.gz CMBYYCLNPLBXOA-NEPJUHHUSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(C(=O)OC)c1 ZINC000420318117 489962917 /nfs/dbraw/zinc/96/29/17/489962917.db2.gz PKVJMQDENUTDKR-SFHVURJKSA-N 2 2 363.414 0.869 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(C(=O)OC)c1 ZINC000420318117 489962920 /nfs/dbraw/zinc/96/29/20/489962920.db2.gz PKVJMQDENUTDKR-SFHVURJKSA-N 2 2 363.414 0.869 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000434916942 489966948 /nfs/dbraw/zinc/96/69/48/489966948.db2.gz YKTFIUNQDLHISG-GOSISDBHSA-N 2 2 367.494 0.239 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC[C@@]1(C)NC(=O)NC1=O ZINC000434916942 489966951 /nfs/dbraw/zinc/96/69/51/489966951.db2.gz YKTFIUNQDLHISG-GOSISDBHSA-N 2 2 367.494 0.239 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420353645 489967505 /nfs/dbraw/zinc/96/75/05/489967505.db2.gz NLNZOBCMWHPYIL-ZFWWWQNUSA-N 2 2 350.463 0.286 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420353645 489967508 /nfs/dbraw/zinc/96/75/08/489967508.db2.gz NLNZOBCMWHPYIL-ZFWWWQNUSA-N 2 2 350.463 0.286 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000420356564 489967931 /nfs/dbraw/zinc/96/79/31/489967931.db2.gz CTNRNPFHLBXHQD-VGTOOOLASA-N 2 2 354.401 0.996 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420373752 489968814 /nfs/dbraw/zinc/96/88/14/489968814.db2.gz GOKIURYXSIJXET-QGZVFWFLSA-N 2 2 372.473 0.877 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420373752 489968817 /nfs/dbraw/zinc/96/88/17/489968817.db2.gz GOKIURYXSIJXET-QGZVFWFLSA-N 2 2 372.473 0.877 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420368601 489968901 /nfs/dbraw/zinc/96/89/01/489968901.db2.gz UIBWJZLEKZWMPP-HNNXBMFYSA-N 2 2 350.463 0.867 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1OC ZINC000420391061 489970488 /nfs/dbraw/zinc/97/04/88/489970488.db2.gz NVHQEPUQLBOOAB-HNNXBMFYSA-N 2 2 351.447 0.712 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1OC ZINC000420391061 489970492 /nfs/dbraw/zinc/97/04/92/489970492.db2.gz NVHQEPUQLBOOAB-HNNXBMFYSA-N 2 2 351.447 0.712 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420388581 489970719 /nfs/dbraw/zinc/97/07/19/489970719.db2.gz LKRJPYYUBMKVMZ-HNNXBMFYSA-N 2 2 351.447 0.712 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420388581 489970721 /nfs/dbraw/zinc/97/07/21/489970721.db2.gz LKRJPYYUBMKVMZ-HNNXBMFYSA-N 2 2 351.447 0.712 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406016 489972395 /nfs/dbraw/zinc/97/23/95/489972395.db2.gz NHNOMBSCOICDQI-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406016 489972398 /nfs/dbraw/zinc/97/23/98/489972398.db2.gz NHNOMBSCOICDQI-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000556079555 491292614 /nfs/dbraw/zinc/29/26/14/491292614.db2.gz RWRDPGBJNHBFGW-GJZGRUSLSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000435373457 490000364 /nfs/dbraw/zinc/00/03/64/490000364.db2.gz NLPNLHMLOGYGJH-GDBMZVCRSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000435373457 490000366 /nfs/dbraw/zinc/00/03/66/490000366.db2.gz NLPNLHMLOGYGJH-GDBMZVCRSA-N 2 2 353.488 0.877 20 0 FCADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](CO)O1 ZINC000420941178 490033675 /nfs/dbraw/zinc/03/36/75/490033675.db2.gz PDXSWCDYRZUTJI-INIZCTEOSA-N 2 2 362.474 0.592 20 0 FCADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](CO)O1 ZINC000420941178 490033677 /nfs/dbraw/zinc/03/36/77/490033677.db2.gz PDXSWCDYRZUTJI-INIZCTEOSA-N 2 2 362.474 0.592 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438317176 490033825 /nfs/dbraw/zinc/03/38/25/490033825.db2.gz RHMMHHDYQVQHMO-UHFFFAOYSA-N 2 2 364.494 1.213 20 0 FCADLP CC[N@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000438332976 490035118 /nfs/dbraw/zinc/03/51/18/490035118.db2.gz SVKXJHNBPFKTBG-UHFFFAOYSA-N 2 2 350.467 0.821 20 0 FCADLP CC[N@@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000438332976 490035120 /nfs/dbraw/zinc/03/51/20/490035120.db2.gz SVKXJHNBPFKTBG-UHFFFAOYSA-N 2 2 350.467 0.821 20 0 FCADLP COc1cc2[nH+]c(NCCN3CC[N@H+](C)C(C)(C)C3)nc(N)c2cc1OC ZINC000440653694 490049092 /nfs/dbraw/zinc/04/90/92/490049092.db2.gz QJBURDAYGRWPRM-UHFFFAOYSA-N 2 2 374.489 1.089 20 0 FCADLP COc1cc2[nH+]c(NCCN3CC[N@@H+](C)C(C)(C)C3)nc(N)c2cc1OC ZINC000440653694 490049097 /nfs/dbraw/zinc/04/90/97/490049097.db2.gz QJBURDAYGRWPRM-UHFFFAOYSA-N 2 2 374.489 1.089 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478903100 490051597 /nfs/dbraw/zinc/05/15/97/490051597.db2.gz WUBOGSQCBPGVIV-GOSISDBHSA-N 2 2 369.506 0.439 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[NH+]1CCSCC1 ZINC000478920879 490054099 /nfs/dbraw/zinc/05/40/99/490054099.db2.gz DXNXEVJJNDKQEB-JKSUJKDBSA-N 2 2 357.520 0.373 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205674 490055993 /nfs/dbraw/zinc/05/59/93/490055993.db2.gz SZYQXCMGOPQSKX-SJORKVTESA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205674 490055996 /nfs/dbraw/zinc/05/59/96/490055996.db2.gz SZYQXCMGOPQSKX-SJORKVTESA-N 2 2 368.522 0.401 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000479013694 490061409 /nfs/dbraw/zinc/06/14/09/490061409.db2.gz QMXHDRBFFGHGSO-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000479013694 490061415 /nfs/dbraw/zinc/06/14/15/490061415.db2.gz QMXHDRBFFGHGSO-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000491054160 490075584 /nfs/dbraw/zinc/07/55/84/490075584.db2.gz QBAZBFLKUNTMFH-MRXNPFEDSA-N 2 2 355.552 0.457 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[NH+]1CCOCC1 ZINC000495464226 490077853 /nfs/dbraw/zinc/07/78/53/490077853.db2.gz BOOPAWXLZKZKCC-HUUCEWRRSA-N 2 2 363.524 0.002 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C(=O)OC)CCC1 ZINC000378529101 490080675 /nfs/dbraw/zinc/08/06/75/490080675.db2.gz MHZHUSGNECQXEK-HZPDHXFCSA-N 2 2 367.490 0.631 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1[NH+](C)C ZINC000465285643 490099543 /nfs/dbraw/zinc/09/95/43/490099543.db2.gz ODIHAKWFWIFXBX-HZPDHXFCSA-N 2 2 361.494 0.190 20 0 FCADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1 ZINC000564308356 491299349 /nfs/dbraw/zinc/29/93/49/491299349.db2.gz BPXQWQOGOYYPAM-UHFFFAOYSA-N 2 2 361.494 0.559 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000479618471 490108106 /nfs/dbraw/zinc/10/81/06/490108106.db2.gz LYQGMACMLIHHAX-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000479618471 490108117 /nfs/dbraw/zinc/10/81/17/490108117.db2.gz LYQGMACMLIHHAX-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000465409503 490120068 /nfs/dbraw/zinc/12/00/68/490120068.db2.gz PDXPGMOXKIRMPG-OAHLLOKOSA-N 2 2 353.511 0.555 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000465409503 490120070 /nfs/dbraw/zinc/12/00/70/490120070.db2.gz PDXPGMOXKIRMPG-OAHLLOKOSA-N 2 2 353.511 0.555 20 0 FCADLP CCN1C[C@H](C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000422010785 490126104 /nfs/dbraw/zinc/12/61/04/490126104.db2.gz SZMIOFKGMDJGHZ-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP CCN1C[C@H](C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000422010785 490126107 /nfs/dbraw/zinc/12/61/07/490126107.db2.gz SZMIOFKGMDJGHZ-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)C1CC(O)C1 ZINC000545386928 490127750 /nfs/dbraw/zinc/12/77/50/490127750.db2.gz SEWYXFWXTCEXTO-MNNVXMFVSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)C1CC(O)C1 ZINC000545386928 490127755 /nfs/dbraw/zinc/12/77/55/490127755.db2.gz SEWYXFWXTCEXTO-MNNVXMFVSA-N 2 2 361.486 0.979 20 0 FCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000465546985 490128023 /nfs/dbraw/zinc/12/80/23/490128023.db2.gz SNSUQDNQCNPOBJ-QGZVFWFLSA-N 2 2 351.451 0.030 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000465521512 490128842 /nfs/dbraw/zinc/12/88/42/490128842.db2.gz VRLHKZRXMSXSMR-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000465521512 490128851 /nfs/dbraw/zinc/12/88/51/490128851.db2.gz VRLHKZRXMSXSMR-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)(C)C ZINC000479881630 490132927 /nfs/dbraw/zinc/13/29/27/490132927.db2.gz BSXXXBVHBAAXBK-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000479915970 490137665 /nfs/dbraw/zinc/13/76/65/490137665.db2.gz LECNUEQFRURQDH-MRXNPFEDSA-N 2 2 370.538 0.650 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000479915115 490138351 /nfs/dbraw/zinc/13/83/51/490138351.db2.gz JTJSCUIGPOENRG-LSDHHAIUSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000479915115 490138357 /nfs/dbraw/zinc/13/83/57/490138357.db2.gz JTJSCUIGPOENRG-LSDHHAIUSA-N 2 2 356.511 0.306 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000446889279 490169266 /nfs/dbraw/zinc/16/92/66/490169266.db2.gz UYDSGMXDWNFMIL-KRWDZBQOSA-N 2 2 354.495 0.195 20 0 FCADLP CC(=O)N1CCC(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000520609564 490169370 /nfs/dbraw/zinc/16/93/70/490169370.db2.gz MISUOWKWAGXZGY-UHFFFAOYSA-N 2 2 367.538 0.912 20 0 FCADLP CC(=O)N1CCC(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000520609564 490169377 /nfs/dbraw/zinc/16/93/77/490169377.db2.gz MISUOWKWAGXZGY-UHFFFAOYSA-N 2 2 367.538 0.912 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N(C)CCCOC)CC2)CC1 ZINC000422124779 490175684 /nfs/dbraw/zinc/17/56/84/490175684.db2.gz ZNRBJMYFHJVSIU-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N(C)CCCOC)CC2)CC1 ZINC000422124779 490175687 /nfs/dbraw/zinc/17/56/87/490175687.db2.gz ZNRBJMYFHJVSIU-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000571398803 491304969 /nfs/dbraw/zinc/30/49/69/491304969.db2.gz ACWLNEYOZSMFJW-UONOGXRCSA-N 2 2 366.487 0.106 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422134699 490182441 /nfs/dbraw/zinc/18/24/41/490182441.db2.gz JUDFQLHGSWRAQY-AEFFLSMTSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422134699 490182451 /nfs/dbraw/zinc/18/24/51/490182451.db2.gz JUDFQLHGSWRAQY-AEFFLSMTSA-N 2 2 373.501 0.839 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000556352863 491310930 /nfs/dbraw/zinc/31/09/30/491310930.db2.gz FAEUUGOECKJULC-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000520812897 490192304 /nfs/dbraw/zinc/19/23/04/490192304.db2.gz IRXBHSCVGSTXTR-BFHYXJOUSA-N 2 2 363.462 0.369 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000497689796 490194641 /nfs/dbraw/zinc/19/46/41/490194641.db2.gz SPEQYLWWLPCLDO-CVEARBPZSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000497689796 490194647 /nfs/dbraw/zinc/19/46/47/490194647.db2.gz SPEQYLWWLPCLDO-CVEARBPZSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000497689796 490194651 /nfs/dbraw/zinc/19/46/51/490194651.db2.gz SPEQYLWWLPCLDO-CVEARBPZSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000497689796 490194655 /nfs/dbraw/zinc/19/46/55/490194655.db2.gz SPEQYLWWLPCLDO-CVEARBPZSA-N 2 2 352.479 0.086 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000571422770 491306858 /nfs/dbraw/zinc/30/68/58/491306858.db2.gz QFZNAAONURKFFO-QLFBSQMISA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000571422770 491306860 /nfs/dbraw/zinc/30/68/60/491306860.db2.gz QFZNAAONURKFFO-QLFBSQMISA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000571422770 491306863 /nfs/dbraw/zinc/30/68/63/491306863.db2.gz QFZNAAONURKFFO-QLFBSQMISA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000571422770 491306864 /nfs/dbraw/zinc/30/68/64/491306864.db2.gz QFZNAAONURKFFO-QLFBSQMISA-N 2 2 366.506 0.343 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721110 490202414 /nfs/dbraw/zinc/20/24/14/490202414.db2.gz RDQKBCFLBOBYDS-VNQPRFMTSA-N 2 2 353.488 0.700 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721110 490202421 /nfs/dbraw/zinc/20/24/21/490202421.db2.gz RDQKBCFLBOBYDS-VNQPRFMTSA-N 2 2 353.488 0.700 20 0 FCADLP CON1CCC(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000422255331 490209671 /nfs/dbraw/zinc/20/96/71/490209671.db2.gz PCIOLADOUFDSHE-HNNXBMFYSA-N 2 2 353.511 0.822 20 0 FCADLP CON1CCC(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000422255331 490209678 /nfs/dbraw/zinc/20/96/78/490209678.db2.gz PCIOLADOUFDSHE-HNNXBMFYSA-N 2 2 353.511 0.822 20 0 FCADLP OC(C[NH+]1CCC(O)(C(F)F)CC1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000447265357 490212952 /nfs/dbraw/zinc/21/29/52/490212952.db2.gz QXCILXZHJVWVHJ-UHFFFAOYSA-N 2 2 358.376 0.531 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@H](C)COC)CC2)CC1 ZINC000422269031 490218539 /nfs/dbraw/zinc/21/85/39/490218539.db2.gz LDGVRJUOVPQEIZ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@H](C)COC)CC2)CC1 ZINC000422269031 490218546 /nfs/dbraw/zinc/21/85/46/490218546.db2.gz LDGVRJUOVPQEIZ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000556313166 491308872 /nfs/dbraw/zinc/30/88/72/491308872.db2.gz ITOQRHLDAKHBIQ-ZBFHGGJFSA-N 2 2 373.457 0.816 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000564482877 491309919 /nfs/dbraw/zinc/30/99/19/491309919.db2.gz VUGLGKIVWFAMQY-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000564482877 491309922 /nfs/dbraw/zinc/30/99/22/491309922.db2.gz VUGLGKIVWFAMQY-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000564482877 491309923 /nfs/dbraw/zinc/30/99/23/491309923.db2.gz VUGLGKIVWFAMQY-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP COC(=O)COc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000521228139 490238567 /nfs/dbraw/zinc/23/85/67/490238567.db2.gz MCFZRNFYHXQMRJ-HLLBOEOZSA-N 2 2 366.458 0.798 20 0 FCADLP COC(=O)COc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000521228139 490238576 /nfs/dbraw/zinc/23/85/76/490238576.db2.gz MCFZRNFYHXQMRJ-HLLBOEOZSA-N 2 2 366.458 0.798 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)[nH+]c12 ZINC000521252524 490242617 /nfs/dbraw/zinc/24/26/17/490242617.db2.gz JJFRBSQFRMMWHH-INIZCTEOSA-N 2 2 355.442 0.608 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000556352865 491311098 /nfs/dbraw/zinc/31/10/98/491311098.db2.gz FAEUUGOECKJULC-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000498040137 490249446 /nfs/dbraw/zinc/24/94/46/490249446.db2.gz UZXLNBFCLOIMIJ-HNNXBMFYSA-N 3 2 353.417 0.707 20 0 FCADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498041940 490249602 /nfs/dbraw/zinc/24/96/02/490249602.db2.gz QKIUJCRKXKBCFO-HNNXBMFYSA-N 2 2 362.478 0.335 20 0 FCADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498041940 490249603 /nfs/dbraw/zinc/24/96/03/490249603.db2.gz QKIUJCRKXKBCFO-HNNXBMFYSA-N 2 2 362.478 0.335 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@@H]1C ZINC000571501247 491311764 /nfs/dbraw/zinc/31/17/64/491311764.db2.gz BOXKZURXUOTKQF-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000507851696 490270833 /nfs/dbraw/zinc/27/08/33/490270833.db2.gz LZCUEVAWMWAENK-GOSISDBHSA-N 2 2 366.550 0.973 20 0 FCADLP C[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000507851696 490270835 /nfs/dbraw/zinc/27/08/35/490270835.db2.gz LZCUEVAWMWAENK-GOSISDBHSA-N 2 2 366.550 0.973 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000498206369 490271489 /nfs/dbraw/zinc/27/14/89/490271489.db2.gz DGLIJBFBLNYEQE-AWEZNQCLSA-N 2 2 357.401 0.996 20 0 FCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526680 491313388 /nfs/dbraw/zinc/31/33/88/491313388.db2.gz KOMJFIYNZVKSSN-GOSISDBHSA-N 3 2 372.513 0.936 20 0 FCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526680 491313390 /nfs/dbraw/zinc/31/33/90/491313390.db2.gz KOMJFIYNZVKSSN-GOSISDBHSA-N 3 2 372.513 0.936 20 0 FCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526680 491313393 /nfs/dbraw/zinc/31/33/93/491313393.db2.gz KOMJFIYNZVKSSN-GOSISDBHSA-N 3 2 372.513 0.936 20 0 FCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526680 491313394 /nfs/dbraw/zinc/31/33/94/491313394.db2.gz KOMJFIYNZVKSSN-GOSISDBHSA-N 3 2 372.513 0.936 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357046 490275332 /nfs/dbraw/zinc/27/53/32/490275332.db2.gz AGFJZEABYBWTDT-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357046 490275336 /nfs/dbraw/zinc/27/53/36/490275336.db2.gz AGFJZEABYBWTDT-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCCOc1ccc2c(c1)OCO2 ZINC000571533173 491313794 /nfs/dbraw/zinc/31/37/94/491313794.db2.gz JNJSNQSVYVGYGH-UHFFFAOYSA-N 2 2 373.413 0.456 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346095 490280808 /nfs/dbraw/zinc/28/08/08/490280808.db2.gz VFVCEIALZYMXNI-KBAYOESNSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346095 490280811 /nfs/dbraw/zinc/28/08/11/490280811.db2.gz VFVCEIALZYMXNI-KBAYOESNSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000547346095 490280813 /nfs/dbraw/zinc/28/08/13/490280813.db2.gz VFVCEIALZYMXNI-KBAYOESNSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000547346095 490280817 /nfs/dbraw/zinc/28/08/17/490280817.db2.gz VFVCEIALZYMXNI-KBAYOESNSA-N 2 2 373.501 0.769 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1C ZINC000564570212 491314498 /nfs/dbraw/zinc/31/44/98/491314498.db2.gz AMEZSFQSUUNBHK-UHFFFAOYSA-N 2 2 366.531 0.515 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000467388619 490288722 /nfs/dbraw/zinc/28/87/22/490288722.db2.gz MMYOTZCYJQDDJZ-CYBMUJFWSA-N 2 2 372.429 0.527 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)[nH+]c1 ZINC000547467433 490297356 /nfs/dbraw/zinc/29/73/56/490297356.db2.gz GEVYQCACQNPGSI-UHFFFAOYSA-N 2 2 371.489 1.453 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571580305 491316943 /nfs/dbraw/zinc/31/69/43/491316943.db2.gz PKNRDZJXNONKOK-HNNXBMFYSA-N 2 2 361.490 0.895 20 0 FCADLP CCN1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1=O ZINC000547647548 490335196 /nfs/dbraw/zinc/33/51/96/490335196.db2.gz ULYXUTYGBKJLIV-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CCN1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1=O ZINC000547647548 490335198 /nfs/dbraw/zinc/33/51/98/490335198.db2.gz ULYXUTYGBKJLIV-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000564729368 491323105 /nfs/dbraw/zinc/32/31/05/491323105.db2.gz OLJRBDLIBOKVAJ-LSDHHAIUSA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000564729368 491323106 /nfs/dbraw/zinc/32/31/06/491323106.db2.gz OLJRBDLIBOKVAJ-LSDHHAIUSA-N 2 2 361.442 0.080 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000522142760 490346579 /nfs/dbraw/zinc/34/65/79/490346579.db2.gz FAQKSLVCJNJTAU-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000522142760 490346586 /nfs/dbraw/zinc/34/65/86/490346586.db2.gz FAQKSLVCJNJTAU-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000508693141 490348772 /nfs/dbraw/zinc/34/87/72/490348772.db2.gz CFAMXWYQQBTBBE-UHFFFAOYSA-N 2 2 365.478 0.003 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000522207759 490354182 /nfs/dbraw/zinc/35/41/82/490354182.db2.gz AHPKCBZHOBAGHK-HNNXBMFYSA-N 2 2 357.462 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000522207759 490354189 /nfs/dbraw/zinc/35/41/89/490354189.db2.gz AHPKCBZHOBAGHK-HNNXBMFYSA-N 2 2 357.462 0.886 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422493798 490358909 /nfs/dbraw/zinc/35/89/09/490358909.db2.gz QNJHQFJOKHJLMR-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422493798 490358914 /nfs/dbraw/zinc/35/89/14/490358914.db2.gz QNJHQFJOKHJLMR-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000508868910 490367415 /nfs/dbraw/zinc/36/74/15/490367415.db2.gz WMUUQLWWGUTBFV-KBPBESRZSA-N 2 2 358.446 0.957 20 0 FCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn[nH]c1 ZINC000564706488 491321319 /nfs/dbraw/zinc/32/13/19/491321319.db2.gz NPPVJVUDOGKRRI-CQSZACIVSA-N 2 2 364.475 0.607 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410881832 490374438 /nfs/dbraw/zinc/37/44/38/490374438.db2.gz CPFKLCKMWQOROI-MRXNPFEDSA-N 2 2 363.506 1.000 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000522433153 490377246 /nfs/dbraw/zinc/37/72/46/490377246.db2.gz NLWJQJYHBSDTNG-DLBZAZTESA-N 2 2 356.511 0.755 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000522433153 490377248 /nfs/dbraw/zinc/37/72/48/490377248.db2.gz NLWJQJYHBSDTNG-DLBZAZTESA-N 2 2 356.511 0.755 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1=O ZINC000534528479 490377257 /nfs/dbraw/zinc/37/72/57/490377257.db2.gz GHJNKIJTYNNIKU-MRXNPFEDSA-N 2 2 364.515 0.802 20 0 FCADLP C[C@@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)S(C)(=O)=O ZINC000571670875 491322304 /nfs/dbraw/zinc/32/23/04/491322304.db2.gz KKWUXRYWVOWCMO-HNNXBMFYSA-N 2 2 355.508 0.402 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000556600994 491322438 /nfs/dbraw/zinc/32/24/38/491322438.db2.gz SONUYBBVKUTNAV-INIZCTEOSA-N 2 2 364.494 1.163 20 0 FCADLP CN(C(=O)[C@H]1CC1(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000448919401 490388279 /nfs/dbraw/zinc/38/82/79/490388279.db2.gz AOTSUNSDPGUMEX-CQSZACIVSA-N 2 2 358.433 0.338 20 0 FCADLP CN(C(=O)[C@@H]1CC1(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000448919400 490388796 /nfs/dbraw/zinc/38/87/96/490388796.db2.gz AOTSUNSDPGUMEX-AWEZNQCLSA-N 2 2 358.433 0.338 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCN2C1=O ZINC000564739801 491324231 /nfs/dbraw/zinc/32/42/31/491324231.db2.gz HCEKSUWCSFHQLD-HUUCEWRRSA-N 2 2 358.446 0.135 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC(C)C ZINC000422576207 490411777 /nfs/dbraw/zinc/41/17/77/490411777.db2.gz QMNNNDDYXOSILP-QGZVFWFLSA-N 2 2 370.538 0.648 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC(C)C ZINC000422576207 490411786 /nfs/dbraw/zinc/41/17/86/490411786.db2.gz QMNNNDDYXOSILP-QGZVFWFLSA-N 2 2 370.538 0.648 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc(C)[nH+]1 ZINC000422587469 490417700 /nfs/dbraw/zinc/41/77/00/490417700.db2.gz HZXFERQVEMTOLA-HNNXBMFYSA-N 2 2 362.474 0.618 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc(C)[nH+]1 ZINC000422587469 490417707 /nfs/dbraw/zinc/41/77/07/490417707.db2.gz HZXFERQVEMTOLA-HNNXBMFYSA-N 2 2 362.474 0.618 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH+]c2c1 ZINC000556653989 491325674 /nfs/dbraw/zinc/32/56/74/491325674.db2.gz KPRGQTNRMFHQGW-BBRMVZONSA-N 2 2 355.442 0.858 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH+]c2c1 ZINC000556653989 491325675 /nfs/dbraw/zinc/32/56/75/491325675.db2.gz KPRGQTNRMFHQGW-BBRMVZONSA-N 2 2 355.442 0.858 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422625231 490431840 /nfs/dbraw/zinc/43/18/40/490431840.db2.gz BACIIFFJFSLBDJ-IHRRRGAJSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422625231 490431842 /nfs/dbraw/zinc/43/18/42/490431842.db2.gz BACIIFFJFSLBDJ-IHRRRGAJSA-N 2 2 368.503 0.886 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000571744338 491326016 /nfs/dbraw/zinc/32/60/16/491326016.db2.gz JTKOINKHEQYTCM-BFYDXBDKSA-N 2 2 354.520 0.445 20 0 FCADLP CC(C)c1cc(N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000509610976 490443372 /nfs/dbraw/zinc/44/33/72/490443372.db2.gz YIBKXKORXPGJHR-ZDUSSCGKSA-N 2 2 350.467 0.288 20 0 FCADLP CC(C)c1cc(N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000509610976 490443376 /nfs/dbraw/zinc/44/33/76/490443376.db2.gz YIBKXKORXPGJHR-ZDUSSCGKSA-N 2 2 350.467 0.288 20 0 FCADLP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000509680215 490450912 /nfs/dbraw/zinc/45/09/12/490450912.db2.gz KIABDRTZLJHVST-UHFFFAOYSA-N 2 2 350.488 0.995 20 0 FCADLP Cc1nc2sccn2c(=O)c1CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000509680215 490450923 /nfs/dbraw/zinc/45/09/23/490450923.db2.gz KIABDRTZLJHVST-UHFFFAOYSA-N 2 2 350.488 0.995 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000509706465 490454719 /nfs/dbraw/zinc/45/47/19/490454719.db2.gz OBTIAHZUURNEMO-OAHLLOKOSA-N 2 2 365.478 0.270 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000509706465 490454723 /nfs/dbraw/zinc/45/47/23/490454723.db2.gz OBTIAHZUURNEMO-OAHLLOKOSA-N 2 2 365.478 0.270 20 0 FCADLP COCCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000571762671 491327375 /nfs/dbraw/zinc/32/73/75/491327375.db2.gz AVMXLODVACOSLD-BZSNNMDCSA-N 2 2 370.515 0.443 20 0 FCADLP COCCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000571762671 491327376 /nfs/dbraw/zinc/32/73/76/491327376.db2.gz AVMXLODVACOSLD-BZSNNMDCSA-N 2 2 370.515 0.443 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000523378078 490460375 /nfs/dbraw/zinc/46/03/75/490460375.db2.gz ANGSCLLRFDZSPL-UHFFFAOYSA-N 2 2 371.445 0.383 20 0 FCADLP CS[C@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000535298016 490475729 /nfs/dbraw/zinc/47/57/29/490475729.db2.gz IWRRWJOJUADWOK-OAHLLOKOSA-N 2 2 370.563 0.825 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000535314087 490478118 /nfs/dbraw/zinc/47/81/18/490478118.db2.gz OKKWLXQXTLEKQD-GFCCVEGCSA-N 2 2 363.443 0.496 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000535314087 490478126 /nfs/dbraw/zinc/47/81/26/490478126.db2.gz OKKWLXQXTLEKQD-GFCCVEGCSA-N 2 2 363.443 0.496 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993186 490487409 /nfs/dbraw/zinc/48/74/09/490487409.db2.gz GZNJBQOZSCQDOE-QFBILLFUSA-N 3 2 372.513 0.935 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993186 490487414 /nfs/dbraw/zinc/48/74/14/490487414.db2.gz GZNJBQOZSCQDOE-QFBILLFUSA-N 3 2 372.513 0.935 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000422864712 490487786 /nfs/dbraw/zinc/48/77/86/490487786.db2.gz NTVDMQQVLCAHRS-ZFWWWQNUSA-N 2 2 353.488 0.879 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990322 490487721 /nfs/dbraw/zinc/48/77/21/490487721.db2.gz SZBJTPJVYCNXAV-IPYPFGDCSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990322 490487731 /nfs/dbraw/zinc/48/77/31/490487731.db2.gz SZBJTPJVYCNXAV-IPYPFGDCSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209610 490498207 /nfs/dbraw/zinc/49/82/07/490498207.db2.gz OAKLBSMGIKQGBI-USXIJHARSA-N 2 2 357.458 1.317 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209610 490498211 /nfs/dbraw/zinc/49/82/11/490498211.db2.gz OAKLBSMGIKQGBI-USXIJHARSA-N 2 2 357.458 1.317 20 0 FCADLP C[C@@H](O)CNc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)nc[nH+]1 ZINC000413137893 490498802 /nfs/dbraw/zinc/49/88/02/490498802.db2.gz PAEMGIJFDQUQJI-CYBMUJFWSA-N 2 2 350.467 0.624 20 0 FCADLP C[C@@H](O)CNc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]cn1 ZINC000413137893 490498806 /nfs/dbraw/zinc/49/88/06/490498806.db2.gz PAEMGIJFDQUQJI-CYBMUJFWSA-N 2 2 350.467 0.624 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)no1 ZINC000564868515 491332260 /nfs/dbraw/zinc/33/22/60/491332260.db2.gz GSBMDBQAIFSLDY-GOOCMWNKSA-N 2 2 363.462 0.985 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)no1 ZINC000564868515 491332261 /nfs/dbraw/zinc/33/22/61/491332261.db2.gz GSBMDBQAIFSLDY-GOOCMWNKSA-N 2 2 363.462 0.985 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394137 490510409 /nfs/dbraw/zinc/51/04/09/490510409.db2.gz OOLDISZJUHCXSH-CVEARBPZSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394137 490510414 /nfs/dbraw/zinc/51/04/14/490510414.db2.gz OOLDISZJUHCXSH-CVEARBPZSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394145 490510621 /nfs/dbraw/zinc/51/06/21/490510621.db2.gz OOLDISZJUHCXSH-JKSUJKDBSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394145 490510623 /nfs/dbraw/zinc/51/06/23/490510623.db2.gz OOLDISZJUHCXSH-JKSUJKDBSA-N 3 2 355.527 0.109 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCSC1 ZINC000535717287 490515619 /nfs/dbraw/zinc/51/56/19/490515619.db2.gz NIAWSLVSTVAXLJ-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCSC1 ZINC000535717287 490515622 /nfs/dbraw/zinc/51/56/22/490515622.db2.gz NIAWSLVSTVAXLJ-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000423015102 490519901 /nfs/dbraw/zinc/51/99/01/490519901.db2.gz QLCIYIGMDOUUBM-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000423019986 490521381 /nfs/dbraw/zinc/52/13/81/490521381.db2.gz YDJCMBBYQNGCCI-HIFRSBDPSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025389 490522924 /nfs/dbraw/zinc/52/29/24/490522924.db2.gz LRBADIKGYDSGRS-QRQLOZEOSA-N 3 2 362.518 0.632 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423058216 490532142 /nfs/dbraw/zinc/53/21/42/490532142.db2.gz BPZPDXYNEDOQSL-JKSUJKDBSA-N 2 2 364.490 0.988 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000548790289 490541969 /nfs/dbraw/zinc/54/19/69/490541969.db2.gz BOZYBDZAMAMGKC-UHFFFAOYSA-N 2 2 357.462 0.471 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069181 490550197 /nfs/dbraw/zinc/55/01/97/490550197.db2.gz XHTCUQXZZUPIEY-HNNXBMFYSA-N 2 2 371.441 0.390 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069181 490550200 /nfs/dbraw/zinc/55/02/00/490550200.db2.gz XHTCUQXZZUPIEY-HNNXBMFYSA-N 2 2 371.441 0.390 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500767440 490550805 /nfs/dbraw/zinc/55/08/05/490550805.db2.gz BCCUBLWOMKYGBZ-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500767440 490550808 /nfs/dbraw/zinc/55/08/08/490550808.db2.gz BCCUBLWOMKYGBZ-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000485782990 490557837 /nfs/dbraw/zinc/55/78/37/490557837.db2.gz KVIZQAKYYGLQIQ-INIZCTEOSA-N 2 2 370.457 0.866 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536307082 490567120 /nfs/dbraw/zinc/56/71/20/490567120.db2.gz XKLGKZUYMWIUEY-MSOLQXFVSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536307082 490567122 /nfs/dbraw/zinc/56/71/22/490567122.db2.gz XKLGKZUYMWIUEY-MSOLQXFVSA-N 2 2 362.474 0.253 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1-n1cncn1 ZINC000486022720 490583399 /nfs/dbraw/zinc/58/33/99/490583399.db2.gz GZJPCLJNPWVSNS-KRWDZBQOSA-N 2 2 354.458 0.972 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1-n1cncn1 ZINC000486022720 490583406 /nfs/dbraw/zinc/58/34/06/490583406.db2.gz GZJPCLJNPWVSNS-KRWDZBQOSA-N 2 2 354.458 0.972 20 0 FCADLP Cn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(-c2cccnc2)n1 ZINC000486049606 490588117 /nfs/dbraw/zinc/58/81/17/490588117.db2.gz AZTBHDQRKLLJFD-QGZVFWFLSA-N 2 2 354.458 0.878 20 0 FCADLP Cn1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(-c2cccnc2)n1 ZINC000486049606 490588121 /nfs/dbraw/zinc/58/81/21/490588121.db2.gz AZTBHDQRKLLJFD-QGZVFWFLSA-N 2 2 354.458 0.878 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000486377721 490615816 /nfs/dbraw/zinc/61/58/16/490615816.db2.gz SLBWIUPQANUTCP-HNNXBMFYSA-N 2 2 362.478 0.092 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000486377721 490615819 /nfs/dbraw/zinc/61/58/19/490615819.db2.gz SLBWIUPQANUTCP-HNNXBMFYSA-N 2 2 362.478 0.092 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000549985481 490617003 /nfs/dbraw/zinc/61/70/03/490617003.db2.gz RZGTYLMPLVGTRJ-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000549985481 490617010 /nfs/dbraw/zinc/61/70/10/490617010.db2.gz RZGTYLMPLVGTRJ-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000486437998 490624403 /nfs/dbraw/zinc/62/44/03/490624403.db2.gz OVGMGFBTGNYACI-INIZCTEOSA-N 2 2 362.449 0.647 20 0 FCADLP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000486437998 490624410 /nfs/dbraw/zinc/62/44/10/490624410.db2.gz OVGMGFBTGNYACI-INIZCTEOSA-N 2 2 362.449 0.647 20 0 FCADLP CC(C)[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1(CO)CCC1 ZINC000550102291 490625154 /nfs/dbraw/zinc/62/51/54/490625154.db2.gz UXGXWCDCVYGAAN-QGZVFWFLSA-N 2 2 355.523 0.990 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc21 ZINC000486444585 490626020 /nfs/dbraw/zinc/62/60/20/490626020.db2.gz XSOQUUZEJKGUKZ-KRWDZBQOSA-N 2 2 356.470 0.862 20 0 FCADLP O=C(CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc21 ZINC000486444585 490626027 /nfs/dbraw/zinc/62/60/27/490626027.db2.gz XSOQUUZEJKGUKZ-KRWDZBQOSA-N 2 2 356.470 0.862 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000550131844 490629752 /nfs/dbraw/zinc/62/97/52/490629752.db2.gz BTXGTHHAJDYXEF-KRWDZBQOSA-N 2 2 366.506 0.302 20 0 FCADLP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486457676 490630730 /nfs/dbraw/zinc/63/07/30/490630730.db2.gz IGTIFVAEMZBESY-SFHVURJKSA-N 2 2 358.486 0.550 20 0 FCADLP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486457676 490630732 /nfs/dbraw/zinc/63/07/32/490630732.db2.gz IGTIFVAEMZBESY-SFHVURJKSA-N 2 2 358.486 0.550 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1nc2c(s1)CCC2 ZINC000486453634 490631039 /nfs/dbraw/zinc/63/10/39/490631039.db2.gz GPQJUJUTDKEPRV-LBPRGKRZSA-N 2 2 363.487 0.467 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1nc2c(s1)CCC2 ZINC000486453634 490631049 /nfs/dbraw/zinc/63/10/49/490631049.db2.gz GPQJUJUTDKEPRV-LBPRGKRZSA-N 2 2 363.487 0.467 20 0 FCADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996059 491341481 /nfs/dbraw/zinc/34/14/81/491341481.db2.gz KVAMRTNQYQLRKE-CABCVRRESA-N 2 2 352.504 0.531 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000550150424 490631870 /nfs/dbraw/zinc/63/18/70/490631870.db2.gz LLBOZYKFFWWEQF-CVEARBPZSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000550150424 490631873 /nfs/dbraw/zinc/63/18/73/490631873.db2.gz LLBOZYKFFWWEQF-CVEARBPZSA-N 2 2 354.495 0.202 20 0 FCADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486461547 490632772 /nfs/dbraw/zinc/63/27/72/490632772.db2.gz OVESIXALXAWPLO-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486461547 490632773 /nfs/dbraw/zinc/63/27/73/490632773.db2.gz OVESIXALXAWPLO-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N[C@@H]1CCOc2ccccc21 ZINC000486461149 490633427 /nfs/dbraw/zinc/63/34/27/490633427.db2.gz ONTJTIYPSTZRBO-DOTOQJQBSA-N 2 2 372.469 0.523 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N[C@@H]1CCOc2ccccc21 ZINC000486461149 490633428 /nfs/dbraw/zinc/63/34/28/490633428.db2.gz ONTJTIYPSTZRBO-DOTOQJQBSA-N 2 2 372.469 0.523 20 0 FCADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468409 490634923 /nfs/dbraw/zinc/63/49/23/490634923.db2.gz KRTHLTGWCAGLLB-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468409 490634928 /nfs/dbraw/zinc/63/49/28/490634928.db2.gz KRTHLTGWCAGLLB-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486462998 490635334 /nfs/dbraw/zinc/63/53/34/490635334.db2.gz RVZIPUOMXFFZRD-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486462998 490635339 /nfs/dbraw/zinc/63/53/39/490635339.db2.gz RVZIPUOMXFFZRD-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486466102 490635577 /nfs/dbraw/zinc/63/55/77/490635577.db2.gz HQKMTXNVIDDGPB-XJKSGUPXSA-N 2 2 373.457 0.009 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486466102 490635581 /nfs/dbraw/zinc/63/55/81/490635581.db2.gz HQKMTXNVIDDGPB-XJKSGUPXSA-N 2 2 373.457 0.009 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471831 490636666 /nfs/dbraw/zinc/63/66/66/490636666.db2.gz RVVLWGQERODJJR-KGLIPLIRSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471831 490636670 /nfs/dbraw/zinc/63/66/70/490636670.db2.gz RVVLWGQERODJJR-KGLIPLIRSA-N 2 2 350.488 0.822 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471459 490636873 /nfs/dbraw/zinc/63/68/73/490636873.db2.gz RJHJJBMDBZWXLI-ZBFHGGJFSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471459 490636876 /nfs/dbraw/zinc/63/68/76/490636876.db2.gz RJHJJBMDBZWXLI-ZBFHGGJFSA-N 2 2 360.458 0.918 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCc2sccc2C1 ZINC000486471584 490636946 /nfs/dbraw/zinc/63/69/46/490636946.db2.gz REOFCXZWEYJQQH-HNNXBMFYSA-N 2 2 362.499 0.529 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCc2sccc2C1 ZINC000486471584 490636951 /nfs/dbraw/zinc/63/69/51/490636951.db2.gz REOFCXZWEYJQQH-HNNXBMFYSA-N 2 2 362.499 0.529 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000565028711 491346468 /nfs/dbraw/zinc/34/64/68/491346468.db2.gz OCCJJXYXOMIZJQ-BEFAXECRSA-N 2 2 358.442 0.439 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000550211834 490642691 /nfs/dbraw/zinc/64/26/91/490642691.db2.gz MOCHGUCVRAHLOR-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCO[C@@H](C)C2)C[C@H](C)N1CC[NH+]1CCO[C@@H](C)C1 ZINC000501849449 490647192 /nfs/dbraw/zinc/64/71/92/490647192.db2.gz GRPBMTYXRPAKSZ-YRPNKDGESA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCO[C@@H](C)C2)C[C@H](C)N1CC[NH+]1CCO[C@@H](C)C1 ZINC000501849449 490647197 /nfs/dbraw/zinc/64/71/97/490647197.db2.gz GRPBMTYXRPAKSZ-YRPNKDGESA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCO[C@@H](C)C2)C[C@H](C)N1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000501849449 490647201 /nfs/dbraw/zinc/64/72/01/490647201.db2.gz GRPBMTYXRPAKSZ-YRPNKDGESA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCO[C@@H](C)C2)C[C@H](C)N1CC[N@H+]1CCO[C@@H](C)C1 ZINC000501849449 490647206 /nfs/dbraw/zinc/64/72/06/490647206.db2.gz GRPBMTYXRPAKSZ-YRPNKDGESA-N 2 2 368.566 0.822 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277384 490651406 /nfs/dbraw/zinc/65/14/06/490651406.db2.gz NLUHVRTUVUALDT-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277384 490651410 /nfs/dbraw/zinc/65/14/10/490651410.db2.gz NLUHVRTUVUALDT-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+]CCNS(=O)(=O)c2cccnc2)s1 ZINC000512039712 490653431 /nfs/dbraw/zinc/65/34/31/490653431.db2.gz XXBPTIDNXSQHMK-UHFFFAOYSA-N 2 2 355.489 0.668 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000550359120 490662876 /nfs/dbraw/zinc/66/28/76/490662876.db2.gz KGEARQXJFBRZKZ-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000550359120 490662879 /nfs/dbraw/zinc/66/28/79/490662879.db2.gz KGEARQXJFBRZKZ-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000564987671 491343887 /nfs/dbraw/zinc/34/38/87/491343887.db2.gz DVFOUNLDHXQZQD-NILFDRSVSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000564987671 491343890 /nfs/dbraw/zinc/34/38/90/491343890.db2.gz DVFOUNLDHXQZQD-NILFDRSVSA-N 2 2 352.460 0.332 20 0 FCADLP NC(=O)[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000512240448 490667157 /nfs/dbraw/zinc/66/71/57/490667157.db2.gz AUPBREVYUZTRTI-KRWDZBQOSA-N 2 2 352.454 0.332 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000550441441 490670712 /nfs/dbraw/zinc/67/07/12/490670712.db2.gz CKZCSTHTBKXSCR-INIZCTEOSA-N 2 2 373.457 0.520 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000502094327 490676154 /nfs/dbraw/zinc/67/61/54/490676154.db2.gz CTTUYWMBEIXDSZ-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000502094327 490676157 /nfs/dbraw/zinc/67/61/57/490676157.db2.gz CTTUYWMBEIXDSZ-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000556958250 491345150 /nfs/dbraw/zinc/34/51/50/491345150.db2.gz JIOXNBHIMFOYOM-OAHLLOKOSA-N 2 2 369.491 0.945 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000556958250 491345152 /nfs/dbraw/zinc/34/51/52/491345152.db2.gz JIOXNBHIMFOYOM-OAHLLOKOSA-N 2 2 369.491 0.945 20 0 FCADLP CN(C)C(=O)Cn1ccc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000556974929 491345571 /nfs/dbraw/zinc/34/55/71/491345571.db2.gz RZUQDGYHZKZDLJ-INIZCTEOSA-N 2 2 372.473 0.836 20 0 FCADLP CN(C)C(=O)Cn1ccc2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000556974929 491345574 /nfs/dbraw/zinc/34/55/74/491345574.db2.gz RZUQDGYHZKZDLJ-INIZCTEOSA-N 2 2 372.473 0.836 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H](C)[NH2+]C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000565032813 491347155 /nfs/dbraw/zinc/34/71/55/491347155.db2.gz UOXOGFSIOUXACU-LZWOXQAQSA-N 2 2 354.495 0.106 20 0 FCADLP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000512813256 490699836 /nfs/dbraw/zinc/69/98/36/490699836.db2.gz DVGHYBYFGYTVAX-UHFFFAOYSA-N 2 2 367.538 0.256 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000527230370 490710263 /nfs/dbraw/zinc/71/02/63/490710263.db2.gz XSZYERDFIQAHOI-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000527230370 490710267 /nfs/dbraw/zinc/71/02/67/490710267.db2.gz XSZYERDFIQAHOI-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000502652813 490714505 /nfs/dbraw/zinc/71/45/05/490714505.db2.gz VDRBCKVBWDGIOK-KRWDZBQOSA-N 2 2 351.451 0.030 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000513497715 490735723 /nfs/dbraw/zinc/73/57/23/490735723.db2.gz AUVXPIVTCGUHFZ-HUUCEWRRSA-N 2 2 361.490 0.869 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1OC ZINC000487995888 490740753 /nfs/dbraw/zinc/74/07/53/490740753.db2.gz BEANEZXNUPEPQO-RTBURBONSA-N 2 2 361.486 0.985 20 0 FCADLP CC(C)(CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000527631061 490752194 /nfs/dbraw/zinc/75/21/94/490752194.db2.gz IQINODBVNIPURT-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527746110 490756685 /nfs/dbraw/zinc/75/66/85/490756685.db2.gz OXEXOQCJBZNYPQ-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000527769243 490758823 /nfs/dbraw/zinc/75/88/23/490758823.db2.gz YTHSCKNRLUGTRE-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565093473 491352864 /nfs/dbraw/zinc/35/28/64/491352864.db2.gz RSCIPIYDQIVUTF-RBUKOAKNSA-N 2 2 374.485 0.520 20 0 FCADLP CCC(CC)[C@H](C(=O)NCC(=O)N1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000557100758 491352986 /nfs/dbraw/zinc/35/29/86/491352986.db2.gz QRIFURKYDCERPB-GOSISDBHSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[NH+]3CCC3)c2)CC1 ZINC000503589037 490764656 /nfs/dbraw/zinc/76/46/56/490764656.db2.gz PFEICFDSKGIGNZ-UHFFFAOYSA-N 2 2 359.474 0.194 20 0 FCADLP COCCCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539145856 490764939 /nfs/dbraw/zinc/76/49/39/490764939.db2.gz COHKACCLJKQGHY-IAGOWNOFSA-N 2 2 371.522 0.729 20 0 FCADLP C[C@H]1C[NH+](CCOC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000539145557 490765097 /nfs/dbraw/zinc/76/50/97/490765097.db2.gz ILTVJDXQNKJRAN-GJZGRUSLSA-N 2 2 368.478 0.128 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000557122234 491354342 /nfs/dbraw/zinc/35/43/42/491354342.db2.gz QPJODALUUAEJRW-IXDOHACOSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000539320692 490776663 /nfs/dbraw/zinc/77/66/63/490776663.db2.gz VFJJTMAMTSZYOE-OAHLLOKOSA-N 2 2 355.508 0.402 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000514726061 490784503 /nfs/dbraw/zinc/78/45/03/490784503.db2.gz UNKGYBKTWSAOQN-GOSISDBHSA-N 2 2 373.501 0.631 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000557132945 491356139 /nfs/dbraw/zinc/35/61/39/491356139.db2.gz HIYXCDWKEBRHKQ-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000557132945 491356140 /nfs/dbraw/zinc/35/61/40/491356140.db2.gz HIYXCDWKEBRHKQ-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000557132945 491356141 /nfs/dbraw/zinc/35/61/41/491356141.db2.gz HIYXCDWKEBRHKQ-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000557132945 491356142 /nfs/dbraw/zinc/35/61/42/491356142.db2.gz HIYXCDWKEBRHKQ-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)N1CC[NH+](C)CC1 ZINC000539785057 490795658 /nfs/dbraw/zinc/79/56/58/490795658.db2.gz AZOKRCGABKVGQW-ZDUSSCGKSA-N 2 2 359.478 0.400 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000565162310 491357072 /nfs/dbraw/zinc/35/70/72/491357072.db2.gz HMORZLVTKNMJCF-ZDUSSCGKSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000565162310 491357073 /nfs/dbraw/zinc/35/70/73/491357073.db2.gz HMORZLVTKNMJCF-ZDUSSCGKSA-N 2 2 355.401 0.316 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000540244915 490810974 /nfs/dbraw/zinc/81/09/74/490810974.db2.gz KQZQGVNOHIZLIF-KKUMJFAQSA-N 2 2 370.494 0.421 20 0 FCADLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000540265929 490812047 /nfs/dbraw/zinc/81/20/47/490812047.db2.gz SZHCLSUSCYLHSJ-JKSUJKDBSA-N 2 2 368.503 0.691 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@@H](C)C1 ZINC000515525630 490830478 /nfs/dbraw/zinc/83/04/78/490830478.db2.gz VIRIOZOCCJJBEX-AWEZNQCLSA-N 2 2 360.458 0.206 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505574413 490833931 /nfs/dbraw/zinc/83/39/31/490833931.db2.gz YNAYSSHOJCELJE-KRWDZBQOSA-N 2 2 356.536 0.930 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000505574416 490833936 /nfs/dbraw/zinc/83/39/36/490833936.db2.gz YNAYSSHOJCELJE-QGZVFWFLSA-N 2 2 356.536 0.930 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000515642557 490834083 /nfs/dbraw/zinc/83/40/83/490834083.db2.gz LDPBNNXDPYDDST-QZTJIDSGSA-N 2 2 374.485 0.353 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000515642559 490834131 /nfs/dbraw/zinc/83/41/31/490834131.db2.gz LDPBNNXDPYDDST-ZWKOTPCHSA-N 2 2 374.485 0.353 20 0 FCADLP Cc1ccc([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000515642558 490834322 /nfs/dbraw/zinc/83/43/22/490834322.db2.gz LDPBNNXDPYDDST-ROUUACIJSA-N 2 2 374.485 0.353 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515814643 490839357 /nfs/dbraw/zinc/83/93/57/490839357.db2.gz OOSGJCCMCFYBDS-OAHLLOKOSA-N 2 2 352.504 0.882 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515846921 490840650 /nfs/dbraw/zinc/84/06/50/490840650.db2.gz MCPNEYASINGYIW-SJORKVTESA-N 2 2 373.505 0.525 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515846921 490840653 /nfs/dbraw/zinc/84/06/53/490840653.db2.gz MCPNEYASINGYIW-SJORKVTESA-N 2 2 373.505 0.525 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529305069 490848639 /nfs/dbraw/zinc/84/86/39/490848639.db2.gz HMOSJXKEGLNLQM-FUHWJXTLSA-N 2 2 367.538 0.422 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)([NH+]2CCOCC2)C1 ZINC000529320080 490851766 /nfs/dbraw/zinc/85/17/66/490851766.db2.gz CZLJWASZWYFGLA-PQUAAJSLSA-N 2 2 366.506 0.840 20 0 FCADLP CO[C@H](C)CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000541152037 490853087 /nfs/dbraw/zinc/85/30/87/490853087.db2.gz NKBVIDQDYULFRY-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+]C2(C3CC3)CC2)CC1 ZINC000541596741 490867271 /nfs/dbraw/zinc/86/72/71/490867271.db2.gz JALQOFMSIDYCGP-UHFFFAOYSA-N 2 2 355.446 0.544 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000516651210 490872920 /nfs/dbraw/zinc/87/29/20/490872920.db2.gz UQMHLLRZVYCQKL-JKSUJKDBSA-N 2 2 357.520 0.344 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000516651302 490873063 /nfs/dbraw/zinc/87/30/63/490873063.db2.gz YFISASWLPOHYLK-NSHDSACASA-N 2 2 359.257 0.825 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000516651302 490873065 /nfs/dbraw/zinc/87/30/65/490873065.db2.gz YFISASWLPOHYLK-NSHDSACASA-N 2 2 359.257 0.825 20 0 FCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN(C)CC[NH3+])CC2)cc1OC ZINC000516973688 490888279 /nfs/dbraw/zinc/88/82/79/490888279.db2.gz XCJAIIFMYHSDKJ-UHFFFAOYSA-N 2 2 364.490 0.547 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975179 490888861 /nfs/dbraw/zinc/88/88/61/490888861.db2.gz PTHFSCQBTOZWKE-ZBFHGGJFSA-N 2 2 359.467 0.539 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975179 490888862 /nfs/dbraw/zinc/88/88/62/490888862.db2.gz PTHFSCQBTOZWKE-ZBFHGGJFSA-N 2 2 359.467 0.539 20 0 FCADLP CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)co1 ZINC000530214090 490893310 /nfs/dbraw/zinc/89/33/10/490893310.db2.gz XPGVDTYWZGMTPY-CQSZACIVSA-N 2 2 355.460 0.327 20 0 FCADLP CS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)co1 ZINC000530214090 490893312 /nfs/dbraw/zinc/89/33/12/490893312.db2.gz XPGVDTYWZGMTPY-CQSZACIVSA-N 2 2 355.460 0.327 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517145027 490896174 /nfs/dbraw/zinc/89/61/74/490896174.db2.gz RTAGDMCJNFUPJE-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517145027 490896176 /nfs/dbraw/zinc/89/61/76/490896176.db2.gz RTAGDMCJNFUPJE-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H](C(=O)NCC1(NC(=O)[C@H](C)[NH+]2CC(C)C2)CCC1)[NH+]1CC(C)C1 ZINC000517390400 490906990 /nfs/dbraw/zinc/90/69/90/490906990.db2.gz BCOLEJWJLJPROE-HOTGVXAUSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)c2cccs2)CC1 ZINC000530817774 490926628 /nfs/dbraw/zinc/92/66/28/490926628.db2.gz XXUNDLZSTIARGX-HUUCEWRRSA-N 2 2 352.504 0.483 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)c2cccs2)CC1 ZINC000530817774 490926630 /nfs/dbraw/zinc/92/66/30/490926630.db2.gz XXUNDLZSTIARGX-HUUCEWRRSA-N 2 2 352.504 0.483 20 0 FCADLP C[C@H]([C@H](C)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000530818077 490926665 /nfs/dbraw/zinc/92/66/65/490926665.db2.gz ZCXCHVHWEMTWSA-QKLQHJQFSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@H]([C@H](C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000530818077 490926666 /nfs/dbraw/zinc/92/66/66/490926666.db2.gz ZCXCHVHWEMTWSA-QKLQHJQFSA-N 2 2 361.486 0.849 20 0 FCADLP Cc1c[nH]cc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985662 490927227 /nfs/dbraw/zinc/92/72/27/490927227.db2.gz NLMCJPUWBLGUFR-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905603 490930967 /nfs/dbraw/zinc/93/09/67/490930967.db2.gz PGVKFODBFCAYLZ-CABCVRRESA-N 2 2 362.540 0.189 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905603 490930968 /nfs/dbraw/zinc/93/09/68/490930968.db2.gz PGVKFODBFCAYLZ-CABCVRRESA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905603 490930969 /nfs/dbraw/zinc/93/09/69/490930969.db2.gz PGVKFODBFCAYLZ-CABCVRRESA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905603 490930970 /nfs/dbraw/zinc/93/09/70/490930970.db2.gz PGVKFODBFCAYLZ-CABCVRRESA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000518144364 490931073 /nfs/dbraw/zinc/93/10/73/490931073.db2.gz ZYJWIQUKFQGTKX-UHFFFAOYSA-N 2 2 361.490 0.041 20 0 FCADLP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000543394626 490932023 /nfs/dbraw/zinc/93/20/23/490932023.db2.gz VICVHVMQMPVYHR-IAGOWNOFSA-N 2 2 358.552 0.923 20 0 FCADLP CC(C)(CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660216226 493334659 /nfs/dbraw/zinc/33/46/59/493334659.db2.gz QAHWNWARKNTWCP-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292656 491365458 /nfs/dbraw/zinc/36/54/58/491365458.db2.gz YWASZWFPGWVCFM-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292656 491365459 /nfs/dbraw/zinc/36/54/59/491365459.db2.gz YWASZWFPGWVCFM-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc4c(c3)C(=O)NCC4)cn2)CC1 ZINC000543621462 490939218 /nfs/dbraw/zinc/93/92/18/490939218.db2.gz QWFKJMFXPAQYTH-UHFFFAOYSA-N 2 2 366.469 0.804 20 0 FCADLP Cn1nncc1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000531191319 490945221 /nfs/dbraw/zinc/94/52/21/490945221.db2.gz SXDKJSRXNVARTK-UHFFFAOYSA-N 2 2 358.446 0.766 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246094 490947733 /nfs/dbraw/zinc/94/77/33/490947733.db2.gz GGQRYDZDILSXSK-CVEARBPZSA-N 2 2 365.522 0.711 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246094 490947735 /nfs/dbraw/zinc/94/77/35/490947735.db2.gz GGQRYDZDILSXSK-CVEARBPZSA-N 2 2 365.522 0.711 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000572376800 491366079 /nfs/dbraw/zinc/36/60/79/491366079.db2.gz UMYGJNNFPASJIT-INIZCTEOSA-N 2 2 371.441 0.986 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000531340608 490952974 /nfs/dbraw/zinc/95/29/74/490952974.db2.gz VEOIYVQJZYGQII-UHFFFAOYSA-N 2 2 367.538 0.520 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000531394177 490955887 /nfs/dbraw/zinc/95/58/87/490955887.db2.gz DBHISMYAAIOWLE-SFHVURJKSA-N 2 2 367.538 0.378 20 0 FCADLP O=C(C[N@H+]1CCSC[C@@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000544131712 490958390 /nfs/dbraw/zinc/95/83/90/490958390.db2.gz YVLOUWLOUVMCNU-KRWDZBQOSA-N 2 2 365.499 0.867 20 0 FCADLP O=C(C[N@@H+]1CCSC[C@@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000544131712 490958393 /nfs/dbraw/zinc/95/83/93/490958393.db2.gz YVLOUWLOUVMCNU-KRWDZBQOSA-N 2 2 365.499 0.867 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000519198452 490964876 /nfs/dbraw/zinc/96/48/76/490964876.db2.gz HEPYXSRVPBXTOC-GOSISDBHSA-N 2 2 370.497 0.992 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000519198452 490964878 /nfs/dbraw/zinc/96/48/78/490964878.db2.gz HEPYXSRVPBXTOC-GOSISDBHSA-N 2 2 370.497 0.992 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284269 490967524 /nfs/dbraw/zinc/96/75/24/490967524.db2.gz NGXPMLCBHDYPDT-SOLBZPMBSA-N 2 2 351.495 0.008 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284269 490967526 /nfs/dbraw/zinc/96/75/26/490967526.db2.gz NGXPMLCBHDYPDT-SOLBZPMBSA-N 2 2 351.495 0.008 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)C[C@H](C)O1 ZINC000544401055 490968143 /nfs/dbraw/zinc/96/81/43/490968143.db2.gz WLRASCPHQVDUEY-OKILXGFUSA-N 2 2 353.467 0.199 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)C[C@H](C)O1 ZINC000544401055 490968144 /nfs/dbraw/zinc/96/81/44/490968144.db2.gz WLRASCPHQVDUEY-OKILXGFUSA-N 2 2 353.467 0.199 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)nc[nH+]2)CC1=O ZINC000519424890 490971663 /nfs/dbraw/zinc/97/16/63/490971663.db2.gz FHIQQADZTNSQCQ-MRXNPFEDSA-N 2 2 374.489 0.446 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)[nH+]c12 ZINC000531732605 490972089 /nfs/dbraw/zinc/97/20/89/490972089.db2.gz JSFWDKCTWODRQX-QGZVFWFLSA-N 2 2 369.469 0.950 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)[nH+]c12 ZINC000531732605 490972091 /nfs/dbraw/zinc/97/20/91/490972091.db2.gz JSFWDKCTWODRQX-QGZVFWFLSA-N 2 2 369.469 0.950 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000519432502 490972181 /nfs/dbraw/zinc/97/21/81/490972181.db2.gz RYQKVEKLWXBXSB-JKSUJKDBSA-N 2 2 355.442 0.733 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000572399214 491367616 /nfs/dbraw/zinc/36/76/16/491367616.db2.gz XRZQDNMZGRVJDN-IRXDYDNUSA-N 2 2 360.458 0.044 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000531811130 490974874 /nfs/dbraw/zinc/97/48/74/490974874.db2.gz HVLARGGDHDAFCG-RDJZCZTQSA-N 2 2 365.522 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000531811130 490974877 /nfs/dbraw/zinc/97/48/77/490974877.db2.gz HVLARGGDHDAFCG-RDJZCZTQSA-N 2 2 365.522 0.665 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000531837946 490976187 /nfs/dbraw/zinc/97/61/87/490976187.db2.gz GHWQKQLPRSAFTJ-IAGOWNOFSA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000531837946 490976189 /nfs/dbraw/zinc/97/61/89/490976189.db2.gz GHWQKQLPRSAFTJ-IAGOWNOFSA-N 2 2 353.511 0.127 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000519652410 490982419 /nfs/dbraw/zinc/98/24/19/490982419.db2.gz YOCURGNQJBDFBA-MAUKXSAKSA-N 2 2 374.485 0.769 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000519710880 490986131 /nfs/dbraw/zinc/98/61/31/490986131.db2.gz IDTGATAEMNZBBM-OAHLLOKOSA-N 2 2 350.467 0.213 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000519748514 490987768 /nfs/dbraw/zinc/98/77/68/490987768.db2.gz RHCQNJZYZABQQV-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000519748514 490987770 /nfs/dbraw/zinc/98/77/70/490987770.db2.gz RHCQNJZYZABQQV-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000532343159 490991439 /nfs/dbraw/zinc/99/14/39/490991439.db2.gz GHRXANXEVBJZGD-QZTJIDSGSA-N 2 2 351.539 0.249 20 0 FCADLP CN(C(=O)c1ccc(-n2ccnc2)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478316 491925987 /nfs/dbraw/zinc/92/59/87/491925987.db2.gz CEBWHUGPUZPYJP-INIZCTEOSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccc(-n2ccnc2)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478316 491925990 /nfs/dbraw/zinc/92/59/90/491925990.db2.gz CEBWHUGPUZPYJP-INIZCTEOSA-N 2 2 369.473 0.903 20 0 FCADLP COC(=O)CNC(=O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000602750277 491997005 /nfs/dbraw/zinc/99/70/05/491997005.db2.gz OYYPMWBBTBQURT-UHFFFAOYSA-N 2 2 368.865 0.471 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000553936108 491165640 /nfs/dbraw/zinc/16/56/40/491165640.db2.gz CBPQZFANUNQJKA-UHFFFAOYSA-N 2 2 365.478 0.384 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000569656330 491178284 /nfs/dbraw/zinc/17/82/84/491178284.db2.gz LZIKQNQPVNMDGO-ZDUSSCGKSA-N 2 2 372.429 1.047 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000569656330 491178285 /nfs/dbraw/zinc/17/82/85/491178285.db2.gz LZIKQNQPVNMDGO-ZDUSSCGKSA-N 2 2 372.429 1.047 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000569721097 491185813 /nfs/dbraw/zinc/18/58/13/491185813.db2.gz WRSRZQUOWINOKO-SFHVURJKSA-N 2 2 360.458 0.668 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000554232344 491186470 /nfs/dbraw/zinc/18/64/70/491186470.db2.gz IBIKKUATJFOPSP-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000554232344 491186473 /nfs/dbraw/zinc/18/64/73/491186473.db2.gz IBIKKUATJFOPSP-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCN1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000572467106 491372150 /nfs/dbraw/zinc/37/21/50/491372150.db2.gz GVNGLXLKJXTSNJ-WMLDXEAASA-N 2 2 350.467 0.567 20 0 FCADLP COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000565417503 491374898 /nfs/dbraw/zinc/37/48/98/491374898.db2.gz ULVRAMWSPSJEOX-MPGHIAIKSA-N 2 2 365.474 0.831 20 0 FCADLP COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000565417504 491375196 /nfs/dbraw/zinc/37/51/96/491375196.db2.gz ULVRAMWSPSJEOX-RKVPGOIHSA-N 2 2 365.474 0.831 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000565435733 491376104 /nfs/dbraw/zinc/37/61/04/491376104.db2.gz BEJCAYRIQOHNGS-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000565435733 491376107 /nfs/dbraw/zinc/37/61/07/491376107.db2.gz BEJCAYRIQOHNGS-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000565435733 491376109 /nfs/dbraw/zinc/37/61/09/491376109.db2.gz BEJCAYRIQOHNGS-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000565435733 491376111 /nfs/dbraw/zinc/37/61/11/491376111.db2.gz BEJCAYRIQOHNGS-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565479747 491379407 /nfs/dbraw/zinc/37/94/07/491379407.db2.gz LWVARPBWNXPXDZ-MJBXVCDLSA-N 2 2 365.482 0.287 20 0 FCADLP CC(C)[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565479747 491379408 /nfs/dbraw/zinc/37/94/08/491379408.db2.gz LWVARPBWNXPXDZ-MJBXVCDLSA-N 2 2 365.482 0.287 20 0 FCADLP COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000572612814 491381276 /nfs/dbraw/zinc/38/12/76/491381276.db2.gz HPFMDSAMGSGSFN-GFCCVEGCSA-N 2 2 364.402 0.366 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[N@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573478 491384279 /nfs/dbraw/zinc/38/42/79/491384279.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[N@@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573478 491384280 /nfs/dbraw/zinc/38/42/80/491384280.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000557573478 491384281 /nfs/dbraw/zinc/38/42/81/491384281.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000557573478 491384282 /nfs/dbraw/zinc/38/42/82/491384282.db2.gz ZQQAREGYJFDNHB-HOTGVXAUSA-N 3 2 362.522 0.836 20 0 FCADLP C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000572668401 491385516 /nfs/dbraw/zinc/38/55/16/491385516.db2.gz GZJPAQHUYLJPIP-ZDUSSCGKSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000572668401 491385520 /nfs/dbraw/zinc/38/55/20/491385520.db2.gz GZJPAQHUYLJPIP-ZDUSSCGKSA-N 2 2 357.462 0.742 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000660281336 493339401 /nfs/dbraw/zinc/33/94/01/493339401.db2.gz VTUQDBYZOUMJBV-JKSUJKDBSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000660281336 493339404 /nfs/dbraw/zinc/33/94/04/493339404.db2.gz VTUQDBYZOUMJBV-JKSUJKDBSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000572717787 491388937 /nfs/dbraw/zinc/38/89/37/491388937.db2.gz COSTYYFSKVIPDF-GOEBONIOSA-N 2 2 374.489 0.539 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000572717787 491388940 /nfs/dbraw/zinc/38/89/40/491388940.db2.gz COSTYYFSKVIPDF-GOEBONIOSA-N 2 2 374.489 0.539 20 0 FCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565651424 491391164 /nfs/dbraw/zinc/39/11/64/491391164.db2.gz DIVXTTRFNNFYEO-CVEARBPZSA-N 3 2 367.519 0.250 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)C[C@H](C)O1 ZINC000572763374 491392195 /nfs/dbraw/zinc/39/21/95/491392195.db2.gz WTCURRDBFBQHEV-JYYAWHABSA-N 2 2 371.909 0.946 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)C[C@H](C)O1 ZINC000572763374 491392197 /nfs/dbraw/zinc/39/21/97/491392197.db2.gz WTCURRDBFBQHEV-JYYAWHABSA-N 2 2 371.909 0.946 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000557707069 491392795 /nfs/dbraw/zinc/39/27/95/491392795.db2.gz YMOOVMNMYWFIOU-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000572907295 491401129 /nfs/dbraw/zinc/40/11/29/491401129.db2.gz JSCCGAQZRIJNPM-GOSISDBHSA-N 2 2 370.497 0.726 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000572907295 491401131 /nfs/dbraw/zinc/40/11/31/491401131.db2.gz JSCCGAQZRIJNPM-GOSISDBHSA-N 2 2 370.497 0.726 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC000557900869 491404159 /nfs/dbraw/zinc/40/41/59/491404159.db2.gz VPSNXRYXIXLRFR-INIZCTEOSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC000557900869 491404162 /nfs/dbraw/zinc/40/41/62/491404162.db2.gz VPSNXRYXIXLRFR-INIZCTEOSA-N 2 2 356.511 0.448 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000565892015 491405867 /nfs/dbraw/zinc/40/58/67/491405867.db2.gz GOBZXEQQMWLLML-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565903540 491406419 /nfs/dbraw/zinc/40/64/19/491406419.db2.gz JIVBGRVHTPYDDU-KYOSRNDESA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565903540 491406422 /nfs/dbraw/zinc/40/64/22/491406422.db2.gz JIVBGRVHTPYDDU-KYOSRNDESA-N 2 2 350.850 0.589 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)[C@H]1C ZINC000573075272 491410846 /nfs/dbraw/zinc/41/08/46/491410846.db2.gz UIONKRGDZUIQCU-ILXRZTDVSA-N 2 2 371.489 0.988 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000566091573 491416844 /nfs/dbraw/zinc/41/68/44/491416844.db2.gz OUHOXLSVGNWZLK-CVEARBPZSA-N 2 2 357.458 0.331 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC(=O)NCC3CC3)CC2)CC1 ZINC000573197004 491418406 /nfs/dbraw/zinc/41/84/06/491418406.db2.gz OTMHFQJDUZRKQZ-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC(=O)NCC3CC3)CC2)CC1 ZINC000573197004 491418409 /nfs/dbraw/zinc/41/84/09/491418409.db2.gz OTMHFQJDUZRKQZ-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000573235029 491421593 /nfs/dbraw/zinc/42/15/93/491421593.db2.gz YJLSNRUGFLXRNY-CVEARBPZSA-N 2 2 374.489 0.819 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000573235029 491421596 /nfs/dbraw/zinc/42/15/96/491421596.db2.gz YJLSNRUGFLXRNY-CVEARBPZSA-N 2 2 374.489 0.819 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCS(=O)(=O)NC(C)(C)C)CC1 ZINC000573263033 491423081 /nfs/dbraw/zinc/42/30/81/491423081.db2.gz NEGJSDLZEZGAQG-UHFFFAOYSA-N 2 2 363.524 0.712 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000566179593 491423258 /nfs/dbraw/zinc/42/32/58/491423258.db2.gz QGGOWSUVMLKRCV-GJZGRUSLSA-N 2 2 362.449 0.698 20 0 FCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000566195834 491425038 /nfs/dbraw/zinc/42/50/38/491425038.db2.gz PMOKFYBYBGIXOE-ZWKOTPCHSA-N 2 2 374.485 0.296 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000573476223 491435981 /nfs/dbraw/zinc/43/59/81/491435981.db2.gz PGOLQGWYOSIGGR-AWEZNQCLSA-N 2 2 350.488 0.590 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000566371821 491440038 /nfs/dbraw/zinc/44/00/38/491440038.db2.gz HRKSJNNTOYFCQL-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000566371821 491440040 /nfs/dbraw/zinc/44/00/40/491440040.db2.gz HRKSJNNTOYFCQL-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000566371821 491440042 /nfs/dbraw/zinc/44/00/42/491440042.db2.gz HRKSJNNTOYFCQL-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000566371821 491440043 /nfs/dbraw/zinc/44/00/43/491440043.db2.gz HRKSJNNTOYFCQL-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000566392125 491440888 /nfs/dbraw/zinc/44/08/88/491440888.db2.gz CDNFGBHYNJVZPZ-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000566392125 491440890 /nfs/dbraw/zinc/44/08/90/491440890.db2.gz CDNFGBHYNJVZPZ-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000660331246 493343570 /nfs/dbraw/zinc/34/35/70/493343570.db2.gz ZHTBSYQZHBOEHD-GOSISDBHSA-N 2 2 373.501 0.771 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000660331246 493343573 /nfs/dbraw/zinc/34/35/73/493343573.db2.gz ZHTBSYQZHBOEHD-GOSISDBHSA-N 2 2 373.501 0.771 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573786085 491454833 /nfs/dbraw/zinc/45/48/33/491454833.db2.gz WXSHXXHISPAJDF-YQQAZPJKSA-N 2 2 354.520 0.445 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566631255 491457388 /nfs/dbraw/zinc/45/73/88/491457388.db2.gz MURVJFDOMGIIIO-UKPHBRMFSA-N 2 2 369.469 0.459 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566631255 491457391 /nfs/dbraw/zinc/45/73/91/491457391.db2.gz MURVJFDOMGIIIO-UKPHBRMFSA-N 2 2 369.469 0.459 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000573904450 491462208 /nfs/dbraw/zinc/46/22/08/491462208.db2.gz CXZRTYXAUIIKOD-QZTJIDSGSA-N 2 2 361.490 0.263 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000566728225 491462775 /nfs/dbraw/zinc/46/27/75/491462775.db2.gz QVNIRQMWOVMMEC-CVEARBPZSA-N 2 2 351.495 0.594 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000566728225 491462778 /nfs/dbraw/zinc/46/27/78/491462778.db2.gz QVNIRQMWOVMMEC-CVEARBPZSA-N 2 2 351.495 0.594 20 0 FCADLP CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000566738784 491464426 /nfs/dbraw/zinc/46/44/26/491464426.db2.gz SBJIQGXKHPYGSA-UHFFFAOYSA-N 2 2 368.459 0.742 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCOCC1 ZINC000559360109 491467181 /nfs/dbraw/zinc/46/71/81/491467181.db2.gz XHEHKGMCKGTCCF-JKSUJKDBSA-N 2 2 368.522 0.593 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660337240 493344678 /nfs/dbraw/zinc/34/46/78/493344678.db2.gz SRSXUWCVHZZGCF-QGZVFWFLSA-N 2 2 353.511 0.130 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660337240 493344680 /nfs/dbraw/zinc/34/46/80/493344680.db2.gz SRSXUWCVHZZGCF-QGZVFWFLSA-N 2 2 353.511 0.130 20 0 FCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000559377520 491468536 /nfs/dbraw/zinc/46/85/36/491468536.db2.gz GHADULKRISDKAQ-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000559377520 491468537 /nfs/dbraw/zinc/46/85/37/491468537.db2.gz GHADULKRISDKAQ-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000559392922 491470157 /nfs/dbraw/zinc/47/01/57/491470157.db2.gz NXMMIYZFIVOUTJ-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000559417110 491471010 /nfs/dbraw/zinc/47/10/10/491471010.db2.gz XATWKNCKVKDBJY-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000574052199 491471303 /nfs/dbraw/zinc/47/13/03/491471303.db2.gz XBWFNRAFNRJDRA-UHFFFAOYSA-N 2 2 350.507 0.779 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000574052199 491471306 /nfs/dbraw/zinc/47/13/06/491471306.db2.gz XBWFNRAFNRJDRA-UHFFFAOYSA-N 2 2 350.507 0.779 20 0 FCADLP Cc1cc(N2CCC([NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000566910527 491474768 /nfs/dbraw/zinc/47/47/68/491474768.db2.gz PMEQGYVCAUEKMJ-UXLLHSPISA-N 2 2 351.495 0.747 20 0 FCADLP Cc1cc(N2CCC([NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000566910527 491474769 /nfs/dbraw/zinc/47/47/69/491474769.db2.gz PMEQGYVCAUEKMJ-UXLLHSPISA-N 2 2 351.495 0.747 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000574107252 491474850 /nfs/dbraw/zinc/47/48/50/491474850.db2.gz LWGOYYKYNHCVRS-KRWDZBQOSA-N 2 2 373.501 0.767 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000559462926 491475346 /nfs/dbraw/zinc/47/53/46/491475346.db2.gz UIFVRCOGFVKQAM-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000559462923 491475478 /nfs/dbraw/zinc/47/54/78/491475478.db2.gz UIFVRCOGFVKQAM-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000559462925 491475543 /nfs/dbraw/zinc/47/55/43/491475543.db2.gz UIFVRCOGFVKQAM-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1)[NH+]1CCOCC1 ZINC000559465288 491475809 /nfs/dbraw/zinc/47/58/09/491475809.db2.gz LQZHRNLVWASVQV-HKUYNNGSSA-N 2 2 369.506 0.123 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000574135468 491476368 /nfs/dbraw/zinc/47/63/68/491476368.db2.gz MTFGUOCKKBCHNT-XWTMOSNGSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000574135468 491476369 /nfs/dbraw/zinc/47/63/69/491476369.db2.gz MTFGUOCKKBCHNT-XWTMOSNGSA-N 2 2 368.522 0.726 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000559550543 491480358 /nfs/dbraw/zinc/48/03/58/491480358.db2.gz MVTYDKLKHWCBNK-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000559563434 491481565 /nfs/dbraw/zinc/48/15/65/491481565.db2.gz MHKCQHQEPGJGCI-MRXNPFEDSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000559561193 491481599 /nfs/dbraw/zinc/48/15/99/491481599.db2.gz DMQJIJPTMOLCDE-INIZCTEOSA-N 2 2 357.458 0.792 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000559561193 491481600 /nfs/dbraw/zinc/48/16/00/491481600.db2.gz DMQJIJPTMOLCDE-INIZCTEOSA-N 2 2 357.458 0.792 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000567137477 491488253 /nfs/dbraw/zinc/48/82/53/491488253.db2.gz KFMCRYANUZNWHA-UHFFFAOYSA-N 2 2 370.538 0.839 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000567137477 491488255 /nfs/dbraw/zinc/48/82/55/491488255.db2.gz KFMCRYANUZNWHA-UHFFFAOYSA-N 2 2 370.538 0.839 20 0 FCADLP COC(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000567148811 491488517 /nfs/dbraw/zinc/48/85/17/491488517.db2.gz URFLWXWDVPKUBF-CYBMUJFWSA-N 2 2 350.419 0.266 20 0 FCADLP COC(=O)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000567148811 491488519 /nfs/dbraw/zinc/48/85/19/491488519.db2.gz URFLWXWDVPKUBF-CYBMUJFWSA-N 2 2 350.419 0.266 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559744598 491494944 /nfs/dbraw/zinc/49/49/44/491494944.db2.gz HXSVRICMZPGRPA-CALCHBBNSA-N 2 2 368.522 0.402 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559744598 491494947 /nfs/dbraw/zinc/49/49/47/491494947.db2.gz HXSVRICMZPGRPA-CALCHBBNSA-N 2 2 368.522 0.402 20 0 FCADLP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000559770702 491498268 /nfs/dbraw/zinc/49/82/68/491498268.db2.gz YLKXINWYZOXRLF-HNNXBMFYSA-N 2 2 356.430 0.652 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000559794966 491500405 /nfs/dbraw/zinc/50/04/05/491500405.db2.gz SCPBAKSAQZGGPM-IAGOWNOFSA-N 2 2 368.522 0.261 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000559810071 491501176 /nfs/dbraw/zinc/50/11/76/491501176.db2.gz RYYWUGGCKHVFBA-KRWDZBQOSA-N 2 2 368.522 0.452 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000559810071 491501179 /nfs/dbraw/zinc/50/11/79/491501179.db2.gz RYYWUGGCKHVFBA-KRWDZBQOSA-N 2 2 368.522 0.452 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000574676855 491512862 /nfs/dbraw/zinc/51/28/62/491512862.db2.gz VNKZPAVCTYRYKL-GJZGRUSLSA-N 2 2 370.457 0.764 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)CCCC[NH3+])CC1 ZINC000567585523 491515580 /nfs/dbraw/zinc/51/55/80/491515580.db2.gz FQDOSTKTKWVXHO-UHFFFAOYSA-N 2 2 368.503 0.368 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000574718325 491515822 /nfs/dbraw/zinc/51/58/22/491515822.db2.gz NSLJYCYIYDVCKE-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000574718325 491515824 /nfs/dbraw/zinc/51/58/24/491515824.db2.gz NSLJYCYIYDVCKE-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP Cc1cccn2cc(CC(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)[nH+]c12 ZINC000574751573 491517591 /nfs/dbraw/zinc/51/75/91/491517591.db2.gz ZXHGREKKTKXZBR-QGZVFWFLSA-N 2 2 369.469 0.997 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000574906642 491526658 /nfs/dbraw/zinc/52/66/58/491526658.db2.gz YYAPLHFKKANGNN-RISCZKNCSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000574906642 491526659 /nfs/dbraw/zinc/52/66/59/491526659.db2.gz YYAPLHFKKANGNN-RISCZKNCSA-N 2 2 367.400 0.354 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000574912993 491527476 /nfs/dbraw/zinc/52/74/76/491527476.db2.gz BINWBRBMBIHCKF-HNNXBMFYSA-N 2 2 355.446 0.728 20 0 FCADLP O=C(CC[N@H+]1CC[C@H](c2nnc[nH]2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000574912993 491527478 /nfs/dbraw/zinc/52/74/78/491527478.db2.gz BINWBRBMBIHCKF-HNNXBMFYSA-N 2 2 355.446 0.728 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCOCC1 ZINC000575023461 491534446 /nfs/dbraw/zinc/53/44/46/491534446.db2.gz HUJCOMGLXBQHIZ-QGZVFWFLSA-N 2 2 370.538 0.694 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000567893536 491538999 /nfs/dbraw/zinc/53/89/99/491538999.db2.gz OAIHXQBULWGXFE-HNNXBMFYSA-N 2 2 350.467 0.142 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000567893536 491539000 /nfs/dbraw/zinc/53/90/00/491539000.db2.gz OAIHXQBULWGXFE-HNNXBMFYSA-N 2 2 350.467 0.142 20 0 FCADLP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH2+]CC3([NH3+])CCC3)CC2)C1 ZINC000567891280 491539093 /nfs/dbraw/zinc/53/90/93/491539093.db2.gz WVOXWXGCWJWAPY-OAHLLOKOSA-N 2 2 350.507 0.955 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000575108464 491539836 /nfs/dbraw/zinc/53/98/36/491539836.db2.gz LRIVWPOTVZVATF-IAGOWNOFSA-N 2 2 365.522 0.747 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000575108465 491539845 /nfs/dbraw/zinc/53/98/45/491539845.db2.gz LRIVWPOTVZVATF-IRXDYDNUSA-N 2 2 365.522 0.747 20 0 FCADLP Cc1nc(N2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000567910484 491540833 /nfs/dbraw/zinc/54/08/33/491540833.db2.gz ZOTWLHUXQWLGNC-UHFFFAOYSA-N 2 2 355.446 0.409 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CN1CC[NH2+]CC1=O ZINC000575399152 491551677 /nfs/dbraw/zinc/55/16/77/491551677.db2.gz RCAIBSFOSZFVNV-UHFFFAOYSA-N 2 2 354.401 0.287 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000575401774 491552207 /nfs/dbraw/zinc/55/22/07/491552207.db2.gz MJVMARCZHQBCNM-VQIMIIECSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000575401774 491552208 /nfs/dbraw/zinc/55/22/08/491552208.db2.gz MJVMARCZHQBCNM-VQIMIIECSA-N 2 2 370.497 0.856 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000568086464 491552398 /nfs/dbraw/zinc/55/23/98/491552398.db2.gz ZOWDPMIIHALJCS-GDBMZVCRSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000568086464 491552399 /nfs/dbraw/zinc/55/23/99/491552399.db2.gz ZOWDPMIIHALJCS-GDBMZVCRSA-N 2 2 351.495 0.452 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4OCC[NH2+][C@@H]4C3)cc2)CC1 ZINC000568094300 491552772 /nfs/dbraw/zinc/55/27/72/491552772.db2.gz BRPVWZXMCWMRJV-MOPGFXCFSA-N 2 2 358.486 0.637 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000560734834 491554030 /nfs/dbraw/zinc/55/40/30/491554030.db2.gz HZQUBADCUNRWFA-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000560764061 491555743 /nfs/dbraw/zinc/55/57/43/491555743.db2.gz LXOHQBLPXSTHQT-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000575739725 491557199 /nfs/dbraw/zinc/55/71/99/491557199.db2.gz XWWNBJKOCXXYBV-IAGOWNOFSA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000575739725 491557201 /nfs/dbraw/zinc/55/72/01/491557201.db2.gz XWWNBJKOCXXYBV-IAGOWNOFSA-N 2 2 352.523 0.724 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748703 491558237 /nfs/dbraw/zinc/55/82/37/491558237.db2.gz UADBVRCQBFJIBP-OLZOCXBDSA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748703 491558240 /nfs/dbraw/zinc/55/82/40/491558240.db2.gz UADBVRCQBFJIBP-OLZOCXBDSA-N 2 2 354.476 0.640 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000568198271 491558238 /nfs/dbraw/zinc/55/82/38/491558238.db2.gz YMUGFTASTCHHIS-HNNXBMFYSA-N 2 2 359.536 0.686 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000568198271 491558241 /nfs/dbraw/zinc/55/82/41/491558241.db2.gz YMUGFTASTCHHIS-HNNXBMFYSA-N 2 2 359.536 0.686 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)[C@H](C[NH3+])C1 ZINC000568226321 491561240 /nfs/dbraw/zinc/56/12/40/491561240.db2.gz NXVIAGGXQOXBKP-SNVBAGLBSA-N 2 2 353.810 0.778 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)[C@H](C[NH3+])C1 ZINC000568226321 491561243 /nfs/dbraw/zinc/56/12/43/491561243.db2.gz NXVIAGGXQOXBKP-SNVBAGLBSA-N 2 2 353.810 0.778 20 0 FCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000560950984 491566588 /nfs/dbraw/zinc/56/65/88/491566588.db2.gz DHQVCIQBEVXKIT-DOTOQJQBSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560950984 491566589 /nfs/dbraw/zinc/56/65/89/491566589.db2.gz DHQVCIQBEVXKIT-DOTOQJQBSA-N 2 2 368.522 0.402 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000568302666 491568498 /nfs/dbraw/zinc/56/84/98/491568498.db2.gz LVVJOMMBPKSTCH-OAHLLOKOSA-N 2 2 365.478 0.270 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000568302666 491568500 /nfs/dbraw/zinc/56/85/00/491568500.db2.gz LVVJOMMBPKSTCH-OAHLLOKOSA-N 2 2 365.478 0.270 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000561056680 491572731 /nfs/dbraw/zinc/57/27/31/491572731.db2.gz CDEHHMRVCOHOQM-UHFFFAOYSA-N 3 2 367.538 0.119 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000576029834 491576900 /nfs/dbraw/zinc/57/69/00/491576900.db2.gz COFUBRIMKOTSSI-DAYGRLMNSA-N 2 2 367.465 0.544 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000576029834 491576901 /nfs/dbraw/zinc/57/69/01/491576901.db2.gz COFUBRIMKOTSSI-DAYGRLMNSA-N 2 2 367.465 0.544 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)nn1 ZINC000576035280 491577473 /nfs/dbraw/zinc/57/74/73/491577473.db2.gz HISPPUPGMVLEDM-QGZVFWFLSA-N 2 2 372.473 0.820 20 0 FCADLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1OC ZINC000561137581 491578071 /nfs/dbraw/zinc/57/80/71/491578071.db2.gz IUCQNRJABMOFAB-ZDUSSCGKSA-N 2 2 352.435 0.497 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000561151204 491578609 /nfs/dbraw/zinc/57/86/09/491578609.db2.gz KJYKMBGBUYWRSC-JKSUJKDBSA-N 2 2 374.489 0.560 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000561158127 491579113 /nfs/dbraw/zinc/57/91/13/491579113.db2.gz RWSQTMMQUJZXLF-ZWKOTPCHSA-N 2 2 362.474 0.299 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000568491375 491580130 /nfs/dbraw/zinc/58/01/30/491580130.db2.gz VQPSONFNGVCELX-SJLPKXTDSA-N 2 2 362.474 0.208 20 0 FCADLP CCNc1nc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000561189644 491581227 /nfs/dbraw/zinc/58/12/27/491581227.db2.gz GLVPSFFCIKSWSE-UHFFFAOYSA-N 2 2 359.482 0.981 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000561224291 491586036 /nfs/dbraw/zinc/58/60/36/491586036.db2.gz SFKOGAXAYREVFW-BVUBDWEXSA-N 2 2 352.458 0.759 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000561224291 491586041 /nfs/dbraw/zinc/58/60/41/491586041.db2.gz SFKOGAXAYREVFW-BVUBDWEXSA-N 2 2 352.458 0.759 20 0 FCADLP COc1cc(OC)cc(OCCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000584400203 491586606 /nfs/dbraw/zinc/58/66/06/491586606.db2.gz JEYPXOXWHIJVFA-CQSZACIVSA-N 2 2 366.462 0.757 20 0 FCADLP COc1cc(OC)cc(OCCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000584400203 491586609 /nfs/dbraw/zinc/58/66/09/491586609.db2.gz JEYPXOXWHIJVFA-CQSZACIVSA-N 2 2 366.462 0.757 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000577098856 491589229 /nfs/dbraw/zinc/58/92/29/491589229.db2.gz MLUPUYCJXGQGMU-BBZRVKOSSA-N 2 2 352.479 0.557 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000577098856 491589235 /nfs/dbraw/zinc/58/92/35/491589235.db2.gz MLUPUYCJXGQGMU-BBZRVKOSSA-N 2 2 352.479 0.557 20 0 FCADLP COC(=O)c1ccc(OCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000584427563 491590548 /nfs/dbraw/zinc/59/05/48/491590548.db2.gz BLIJTUCGRYQZJD-UXLLHSPISA-N 2 2 366.458 0.912 20 0 FCADLP COC(=O)c1ccc(OCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000584427563 491590554 /nfs/dbraw/zinc/59/05/54/491590554.db2.gz BLIJTUCGRYQZJD-UXLLHSPISA-N 2 2 366.458 0.912 20 0 FCADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000568616599 491592531 /nfs/dbraw/zinc/59/25/31/491592531.db2.gz TYIJKAGPXHLIRQ-GOSISDBHSA-N 2 2 367.515 0.985 20 0 FCADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000568616599 491592533 /nfs/dbraw/zinc/59/25/33/491592533.db2.gz TYIJKAGPXHLIRQ-GOSISDBHSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000561275683 491593004 /nfs/dbraw/zinc/59/30/04/491593004.db2.gz KVFTZEWMDRBQPJ-XHSDSOJGSA-N 2 2 361.490 0.798 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000561275683 491593005 /nfs/dbraw/zinc/59/30/05/491593005.db2.gz KVFTZEWMDRBQPJ-XHSDSOJGSA-N 2 2 361.490 0.798 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000561278826 491593634 /nfs/dbraw/zinc/59/36/34/491593634.db2.gz BISWSNONPIZWNL-HOCLYGCPSA-N 2 2 363.458 0.555 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000561278826 491593635 /nfs/dbraw/zinc/59/36/35/491593635.db2.gz BISWSNONPIZWNL-HOCLYGCPSA-N 2 2 363.458 0.555 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000576233535 491595686 /nfs/dbraw/zinc/59/56/86/491595686.db2.gz CFWDIMRWZLBMLW-IAGOWNOFSA-N 2 2 366.506 0.333 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000561368218 491602296 /nfs/dbraw/zinc/60/22/96/491602296.db2.gz UICLKNCIYLJZQB-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000561368806 491603156 /nfs/dbraw/zinc/60/31/56/491603156.db2.gz YVYMNNCCYVJATQ-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000561368806 491603160 /nfs/dbraw/zinc/60/31/60/491603160.db2.gz YVYMNNCCYVJATQ-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238521 491605597 /nfs/dbraw/zinc/60/55/97/491605597.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238521 491605599 /nfs/dbraw/zinc/60/55/99/491605599.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238521 491605602 /nfs/dbraw/zinc/60/56/02/491605602.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238521 491605604 /nfs/dbraw/zinc/60/56/04/491605604.db2.gz BLAGGZWKCWYNEM-HOTGVXAUSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000568852773 491614167 /nfs/dbraw/zinc/61/41/67/491614167.db2.gz RDKHAWHZKNYUKP-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000568852773 491614168 /nfs/dbraw/zinc/61/41/68/491614168.db2.gz RDKHAWHZKNYUKP-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000577359772 491614429 /nfs/dbraw/zinc/61/44/29/491614429.db2.gz XQGOTDWEEIYZOS-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000577359772 491614432 /nfs/dbraw/zinc/61/44/32/491614432.db2.gz XQGOTDWEEIYZOS-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000577359772 491614436 /nfs/dbraw/zinc/61/44/36/491614436.db2.gz XQGOTDWEEIYZOS-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000577359771 491614576 /nfs/dbraw/zinc/61/45/76/491614576.db2.gz XQGOTDWEEIYZOS-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000577359771 491614578 /nfs/dbraw/zinc/61/45/78/491614578.db2.gz XQGOTDWEEIYZOS-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000577359771 491614581 /nfs/dbraw/zinc/61/45/81/491614581.db2.gz XQGOTDWEEIYZOS-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000561539423 491615304 /nfs/dbraw/zinc/61/53/04/491615304.db2.gz OQLYSXNKVZUSTP-MAUKXSAKSA-N 2 2 365.478 0.737 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000561539423 491615305 /nfs/dbraw/zinc/61/53/05/491615305.db2.gz OQLYSXNKVZUSTP-MAUKXSAKSA-N 2 2 365.478 0.737 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)CC2)N1 ZINC000561566643 491617231 /nfs/dbraw/zinc/61/72/31/491617231.db2.gz CPZCSEKXEUXSEV-RXCRORICSA-N 2 2 372.469 0.732 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)CC2)N1 ZINC000561566643 491617232 /nfs/dbraw/zinc/61/72/32/491617232.db2.gz CPZCSEKXEUXSEV-RXCRORICSA-N 2 2 372.469 0.732 20 0 FCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[C@@H]2C1 ZINC000577418549 491621386 /nfs/dbraw/zinc/62/13/86/491621386.db2.gz ANAMHONMUDOYMV-QILXNOBMSA-N 2 2 353.507 0.693 20 0 FCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)[C@@H]2C1 ZINC000577418549 491621388 /nfs/dbraw/zinc/62/13/88/491621388.db2.gz ANAMHONMUDOYMV-QILXNOBMSA-N 2 2 353.507 0.693 20 0 FCADLP O=C(C[NH2+][C@H](CO)C1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000569026503 491628370 /nfs/dbraw/zinc/62/83/70/491628370.db2.gz BQSIKUHVLQHMSU-LJQANCHMSA-N 2 2 361.486 0.708 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577637706 491638989 /nfs/dbraw/zinc/63/89/89/491638989.db2.gz BGLCPDRTGFIYBS-SCTDSRPQSA-N 3 2 353.470 0.869 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000576743400 491640876 /nfs/dbraw/zinc/64/08/76/491640876.db2.gz AWEMQQHAKDDVKN-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000576743400 491640879 /nfs/dbraw/zinc/64/08/79/491640879.db2.gz AWEMQQHAKDDVKN-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000577721577 491645307 /nfs/dbraw/zinc/64/53/07/491645307.db2.gz SCXMMUJICFRBJN-GOSISDBHSA-N 2 2 360.458 0.668 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000562009915 491647525 /nfs/dbraw/zinc/64/75/25/491647525.db2.gz URLDETJDBAHLJP-AWEZNQCLSA-N 2 2 356.536 0.388 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000562009915 491647527 /nfs/dbraw/zinc/64/75/27/491647527.db2.gz URLDETJDBAHLJP-AWEZNQCLSA-N 2 2 356.536 0.388 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)C[C@H](C)O1 ZINC000577742593 491648157 /nfs/dbraw/zinc/64/81/57/491648157.db2.gz ZSPZLLHPLCDHBF-DXWTWGPWSA-N 2 2 352.479 0.700 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)C[C@H](C)O1 ZINC000577742593 491648159 /nfs/dbraw/zinc/64/81/59/491648159.db2.gz ZSPZLLHPLCDHBF-DXWTWGPWSA-N 2 2 352.479 0.700 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000576834665 491649009 /nfs/dbraw/zinc/64/90/09/491649009.db2.gz NTPLMJISYGKWJC-CYBMUJFWSA-N 2 2 356.430 0.919 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000576886236 491653546 /nfs/dbraw/zinc/65/35/46/491653546.db2.gz VNXONTZVRKWNGI-JJRVBVJISA-N 2 2 362.478 0.864 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000576886236 491653550 /nfs/dbraw/zinc/65/35/50/491653550.db2.gz VNXONTZVRKWNGI-JJRVBVJISA-N 2 2 362.478 0.864 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000578062763 491669012 /nfs/dbraw/zinc/66/90/12/491669012.db2.gz WVEUKKFGIFVZOW-IPMKNSEASA-N 2 2 370.497 0.835 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000578504937 491678541 /nfs/dbraw/zinc/67/85/41/491678541.db2.gz AUGOQMRQSXAOBK-BRSBDYLESA-N 2 2 371.485 0.428 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000578504937 491678542 /nfs/dbraw/zinc/67/85/42/491678542.db2.gz AUGOQMRQSXAOBK-BRSBDYLESA-N 2 2 371.485 0.428 20 0 FCADLP CSc1nnnn1-c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000578619903 491680824 /nfs/dbraw/zinc/68/08/24/491680824.db2.gz ZMLTWMKOIMSMCQ-CYBMUJFWSA-N 2 2 362.463 0.491 20 0 FCADLP CSc1nnnn1-c1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000578619903 491680825 /nfs/dbraw/zinc/68/08/25/491680825.db2.gz ZMLTWMKOIMSMCQ-CYBMUJFWSA-N 2 2 362.463 0.491 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000578649185 491681555 /nfs/dbraw/zinc/68/15/55/491681555.db2.gz GXEGOZPWEYMBOX-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000578649185 491681556 /nfs/dbraw/zinc/68/15/56/491681556.db2.gz GXEGOZPWEYMBOX-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000578675572 491682230 /nfs/dbraw/zinc/68/22/30/491682230.db2.gz IMHTVJIMNKXXAV-HOTGVXAUSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000578864020 491685826 /nfs/dbraw/zinc/68/58/26/491685826.db2.gz JHGIAXKPDSXLHT-ZBFHGGJFSA-N 2 2 351.495 0.228 20 0 FCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000578864019 491685914 /nfs/dbraw/zinc/68/59/14/491685914.db2.gz JHGIAXKPDSXLHT-HOCLYGCPSA-N 2 2 351.495 0.228 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000578879071 491686317 /nfs/dbraw/zinc/68/63/17/491686317.db2.gz LQWFFTVRFMGBKX-HNNXBMFYSA-N 2 2 371.441 0.787 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000578879071 491686318 /nfs/dbraw/zinc/68/63/18/491686318.db2.gz LQWFFTVRFMGBKX-HNNXBMFYSA-N 2 2 371.441 0.787 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@@H](C[NH3+])C1 ZINC000579091465 491690650 /nfs/dbraw/zinc/69/06/50/491690650.db2.gz UUVPLCYLGMNBDO-ZWKOTPCHSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)[C@@H](C[NH3+])C1 ZINC000579091465 491690651 /nfs/dbraw/zinc/69/06/51/491690651.db2.gz UUVPLCYLGMNBDO-ZWKOTPCHSA-N 2 2 373.501 0.504 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253189 491694123 /nfs/dbraw/zinc/69/41/23/491694123.db2.gz LBXLKBHFWXAPSQ-CZUORRHYSA-N 2 2 367.453 0.296 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000579364523 491696479 /nfs/dbraw/zinc/69/64/79/491696479.db2.gz LURBQKVNLHYJDF-GJZGRUSLSA-N 2 2 361.490 0.819 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000579364523 491696480 /nfs/dbraw/zinc/69/64/80/491696480.db2.gz LURBQKVNLHYJDF-GJZGRUSLSA-N 2 2 361.490 0.819 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC000579371448 491696593 /nfs/dbraw/zinc/69/65/93/491696593.db2.gz NYCSRIYDSZFEFL-NRFANRHFSA-N 2 2 372.513 0.977 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC000579371449 491696678 /nfs/dbraw/zinc/69/66/78/491696678.db2.gz NYCSRIYDSZFEFL-OAQYLSRUSA-N 2 2 372.513 0.977 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000579418931 491697604 /nfs/dbraw/zinc/69/76/04/491697604.db2.gz UXISIXYVXJOOCK-HNNXBMFYSA-N 2 2 369.535 1.160 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000579418931 491697605 /nfs/dbraw/zinc/69/76/05/491697605.db2.gz UXISIXYVXJOOCK-HNNXBMFYSA-N 2 2 369.535 1.160 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCCC[NH2+]C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000579454066 491698197 /nfs/dbraw/zinc/69/81/97/491698197.db2.gz CLJNRCGNLZURCP-CQSZACIVSA-N 2 2 350.467 0.119 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000579467925 491698329 /nfs/dbraw/zinc/69/83/29/491698329.db2.gz SFNXAKQKUAJNPJ-UHFFFAOYSA-N 2 2 372.473 0.984 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000579462037 491698342 /nfs/dbraw/zinc/69/83/42/491698342.db2.gz YLFXWEONBKJEJX-MHORFTMASA-N 2 2 356.470 0.697 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000579462037 491698343 /nfs/dbraw/zinc/69/83/43/491698343.db2.gz YLFXWEONBKJEJX-MHORFTMASA-N 2 2 356.470 0.697 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000579570895 491700497 /nfs/dbraw/zinc/70/04/97/491700497.db2.gz BESXWASIZFJILE-LSDHHAIUSA-N 2 2 367.519 0.324 20 0 FCADLP CN1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000579570435 491700617 /nfs/dbraw/zinc/70/06/17/491700617.db2.gz FRMVGAUTGUTMGJ-KRWDZBQOSA-N 2 2 356.474 0.758 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000579613647 491701544 /nfs/dbraw/zinc/70/15/44/491701544.db2.gz XPRUFZPCMJSUNB-JJRVBVJISA-N 2 2 356.430 0.739 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000579693493 491703064 /nfs/dbraw/zinc/70/30/64/491703064.db2.gz NHWCZIHBHTZBKR-OAHLLOKOSA-N 2 2 362.478 0.045 20 0 FCADLP CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000584604399 491709030 /nfs/dbraw/zinc/70/90/30/491709030.db2.gz RDSKLSDGARGQTH-UHFFFAOYSA-N 2 2 373.567 0.019 20 0 FCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000579948623 491710566 /nfs/dbraw/zinc/71/05/66/491710566.db2.gz POGIHVVPLKKRMG-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP COC[C@@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCC[NH2+]1 ZINC000579957540 491710967 /nfs/dbraw/zinc/71/09/67/491710967.db2.gz CVFVZXITPHVLCC-ICSRJNTNSA-N 3 2 371.485 0.686 20 0 FCADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)nc1 ZINC000580315822 491725719 /nfs/dbraw/zinc/72/57/19/491725719.db2.gz PMOOXCXIGUIFOC-INIZCTEOSA-N 2 2 360.487 0.948 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580505903 491733749 /nfs/dbraw/zinc/73/37/49/491733749.db2.gz XBSJEBRKHFJXQR-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000580505903 491733751 /nfs/dbraw/zinc/73/37/51/491733751.db2.gz XBSJEBRKHFJXQR-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000580521018 491734224 /nfs/dbraw/zinc/73/42/24/491734224.db2.gz URHOMHOKHRWTKZ-OAHLLOKOSA-N 2 2 362.478 0.914 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)O1 ZINC000580515558 491734337 /nfs/dbraw/zinc/73/43/37/491734337.db2.gz RNQPOVNZQGHNPE-OAGGEKHMSA-N 2 2 368.503 0.689 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583668 491737330 /nfs/dbraw/zinc/73/73/30/491737330.db2.gz ZJBIWXKNPZIKLN-SJORKVTESA-N 2 2 368.453 0.961 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583668 491737332 /nfs/dbraw/zinc/73/73/32/491737332.db2.gz ZJBIWXKNPZIKLN-SJORKVTESA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583668 491737334 /nfs/dbraw/zinc/73/73/34/491737334.db2.gz ZJBIWXKNPZIKLN-SJORKVTESA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583668 491737335 /nfs/dbraw/zinc/73/73/35/491737335.db2.gz ZJBIWXKNPZIKLN-SJORKVTESA-N 2 2 368.453 0.961 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660582648 493363150 /nfs/dbraw/zinc/36/31/50/493363150.db2.gz XONNUZVFAMYKFM-SFHVURJKSA-N 2 2 361.490 0.923 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660582648 493363153 /nfs/dbraw/zinc/36/31/53/493363153.db2.gz XONNUZVFAMYKFM-SFHVURJKSA-N 2 2 361.490 0.923 20 0 FCADLP CSC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236438 491742883 /nfs/dbraw/zinc/74/28/83/491742883.db2.gz TYOBMFYWIOYNCH-HOCLYGCPSA-N 2 2 368.547 0.625 20 0 FCADLP CSC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236438 491742884 /nfs/dbraw/zinc/74/28/84/491742884.db2.gz TYOBMFYWIOYNCH-HOCLYGCPSA-N 2 2 368.547 0.625 20 0 FCADLP CCSCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236863 491742989 /nfs/dbraw/zinc/74/29/89/491742989.db2.gz RQRSZKGACHCFNX-HUUCEWRRSA-N 2 2 370.563 0.919 20 0 FCADLP CCSCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236863 491742991 /nfs/dbraw/zinc/74/29/91/491742991.db2.gz RQRSZKGACHCFNX-HUUCEWRRSA-N 2 2 370.563 0.919 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000580849441 491748820 /nfs/dbraw/zinc/74/88/20/491748820.db2.gz DTYXEJUORLLWMJ-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000580849441 491748823 /nfs/dbraw/zinc/74/88/23/491748823.db2.gz DTYXEJUORLLWMJ-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP Cc1cccn2cc(CCNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)[nH+]c12 ZINC000673747039 493360439 /nfs/dbraw/zinc/36/04/39/493360439.db2.gz OKSNJMMWFCAGTM-HNNXBMFYSA-N 2 2 357.458 0.712 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000581149030 491761417 /nfs/dbraw/zinc/76/14/17/491761417.db2.gz RIJLRSXNCXJIAS-NXOAAHMSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000581149031 491761457 /nfs/dbraw/zinc/76/14/57/491761457.db2.gz RIJLRSXNCXJIAS-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000581383124 491770866 /nfs/dbraw/zinc/77/08/66/491770866.db2.gz TXXVZKDEWFGEGJ-ZACQAIPSSA-N 2 2 357.495 0.027 20 0 FCADLP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000581383124 491770867 /nfs/dbraw/zinc/77/08/67/491770867.db2.gz TXXVZKDEWFGEGJ-ZACQAIPSSA-N 2 2 357.495 0.027 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@]12CCNC2=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000581437205 491773044 /nfs/dbraw/zinc/77/30/44/491773044.db2.gz DVQOLISEWOOYTF-SFHVURJKSA-N 2 2 362.499 0.747 20 0 FCADLP O=C(C[N@H+]1CCC[C@@]12CCNC2=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000581437205 491773046 /nfs/dbraw/zinc/77/30/46/491773046.db2.gz DVQOLISEWOOYTF-SFHVURJKSA-N 2 2 362.499 0.747 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCC[NH2+]C3)ccn2)CC1 ZINC000581595689 491778965 /nfs/dbraw/zinc/77/89/65/491778965.db2.gz HRRSYKSYQYUDLS-HNNXBMFYSA-N 2 2 360.462 0.733 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(=O)NCc1ccco1 ZINC000590600161 491780897 /nfs/dbraw/zinc/78/08/97/491780897.db2.gz KLRFMYPOYMHHGD-HNNXBMFYSA-N 2 2 364.446 0.792 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(=O)NCc1ccco1 ZINC000590600161 491780898 /nfs/dbraw/zinc/78/08/98/491780898.db2.gz KLRFMYPOYMHHGD-HNNXBMFYSA-N 2 2 364.446 0.792 20 0 FCADLP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000581952098 491792025 /nfs/dbraw/zinc/79/20/25/491792025.db2.gz YTBBIEFUJFDDPJ-SFHVURJKSA-N 2 2 369.481 0.891 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000581952098 491792026 /nfs/dbraw/zinc/79/20/26/491792026.db2.gz YTBBIEFUJFDDPJ-SFHVURJKSA-N 2 2 369.481 0.891 20 0 FCADLP [NH3+]Cc1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000582062641 491796296 /nfs/dbraw/zinc/79/62/96/491796296.db2.gz SIKLQRHGSYFEEP-UHFFFAOYSA-N 2 2 358.446 0.996 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCc3ncccn3)CC2)CC1 ZINC000582133067 491799360 /nfs/dbraw/zinc/79/93/60/491799360.db2.gz IHVCWEKBNUTLDH-UHFFFAOYSA-N 2 2 374.489 0.111 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCc3ncccn3)CC2)CC1 ZINC000582133067 491799361 /nfs/dbraw/zinc/79/93/61/491799361.db2.gz IHVCWEKBNUTLDH-UHFFFAOYSA-N 2 2 374.489 0.111 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000582170972 491800863 /nfs/dbraw/zinc/80/08/63/491800863.db2.gz SWNMUOQKGFUCNI-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP O=C(C[NH+]1CCC[C@@H]1CF)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CF)CC1 ZINC000582194472 491802030 /nfs/dbraw/zinc/80/20/30/491802030.db2.gz KQUJCUYBLZZKTL-HZPDHXFCSA-N 2 2 372.460 0.525 20 0 FCADLP O=C(C[NH+]1CCC[C@@H]1CF)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CF)CC1 ZINC000582194472 491802032 /nfs/dbraw/zinc/80/20/32/491802032.db2.gz KQUJCUYBLZZKTL-HZPDHXFCSA-N 2 2 372.460 0.525 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460724 491806604 /nfs/dbraw/zinc/80/66/04/491806604.db2.gz XJFODTQWNBOKTI-PKOBYXMFSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460724 491806605 /nfs/dbraw/zinc/80/66/05/491806605.db2.gz XJFODTQWNBOKTI-PKOBYXMFSA-N 2 2 360.502 0.812 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312367 491807190 /nfs/dbraw/zinc/80/71/90/491807190.db2.gz VXDFXUJQURXNDO-OLZOCXBDSA-N 2 2 373.482 0.199 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312367 491807191 /nfs/dbraw/zinc/80/71/91/491807191.db2.gz VXDFXUJQURXNDO-OLZOCXBDSA-N 2 2 373.482 0.199 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)CCC2 ZINC000582383256 491810164 /nfs/dbraw/zinc/81/01/64/491810164.db2.gz SSVVLVTUFUGWAF-HZPDHXFCSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)CCC2 ZINC000582383256 491810166 /nfs/dbraw/zinc/81/01/66/491810166.db2.gz SSVVLVTUFUGWAF-HZPDHXFCSA-N 2 2 361.490 0.984 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582431818 491812117 /nfs/dbraw/zinc/81/21/17/491812117.db2.gz SEWYERNNJRUEES-VHDGCEQUSA-N 2 2 362.499 0.828 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582431818 491812119 /nfs/dbraw/zinc/81/21/19/491812119.db2.gz SEWYERNNJRUEES-VHDGCEQUSA-N 2 2 362.499 0.828 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582543861 491817019 /nfs/dbraw/zinc/81/70/19/491817019.db2.gz UBKUYZRKRDQCAB-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP C[C@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000582655721 491821319 /nfs/dbraw/zinc/82/13/19/491821319.db2.gz ZCGRWIQCAYZWDP-DLBZAZTESA-N 2 2 356.536 0.883 20 0 FCADLP CC1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]CC1 ZINC000582834731 491828652 /nfs/dbraw/zinc/82/86/52/491828652.db2.gz KELZGRLIWDORIP-UHFFFAOYSA-N 2 2 365.522 0.620 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)S(C)(=O)=O)CC2)CC1 ZINC000582915798 491832178 /nfs/dbraw/zinc/83/21/78/491832178.db2.gz QDZRATGLKYNRTL-CQSZACIVSA-N 2 2 359.536 0.732 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000583024566 491836667 /nfs/dbraw/zinc/83/66/67/491836667.db2.gz DDELEPGCXJSTKA-TXKKKEFDSA-N 2 2 365.478 0.040 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000583024566 491836668 /nfs/dbraw/zinc/83/66/68/491836668.db2.gz DDELEPGCXJSTKA-TXKKKEFDSA-N 2 2 365.478 0.040 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000583264139 491841226 /nfs/dbraw/zinc/84/12/26/491841226.db2.gz MCEQFDLGEYDURJ-OWCLPIDISA-N 2 2 357.520 0.344 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000583264139 491841227 /nfs/dbraw/zinc/84/12/27/491841227.db2.gz MCEQFDLGEYDURJ-OWCLPIDISA-N 2 2 357.520 0.344 20 0 FCADLP O=C([C@@H]1CCCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000583265293 491841347 /nfs/dbraw/zinc/84/13/47/491841347.db2.gz YQMZHIIPGGJIEJ-INIZCTEOSA-N 2 2 374.489 0.494 20 0 FCADLP O=C([C@@H]1CCCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583265293 491841348 /nfs/dbraw/zinc/84/13/48/491841348.db2.gz YQMZHIIPGGJIEJ-INIZCTEOSA-N 2 2 374.489 0.494 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000583318799 491842255 /nfs/dbraw/zinc/84/22/55/491842255.db2.gz ICRAEUJDGDDYCD-MRXNPFEDSA-N 2 2 361.442 0.481 20 0 FCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583434831 491844820 /nfs/dbraw/zinc/84/48/20/491844820.db2.gz FOSLYHGFMZZIAZ-HNNXBMFYSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583494067 491846057 /nfs/dbraw/zinc/84/60/57/491846057.db2.gz IPCBAGRYDUNVSJ-DYESRHJHSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583494067 491846058 /nfs/dbraw/zinc/84/60/58/491846058.db2.gz IPCBAGRYDUNVSJ-DYESRHJHSA-N 2 2 370.497 0.931 20 0 FCADLP COc1ccc([C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000583497513 491846186 /nfs/dbraw/zinc/84/61/86/491846186.db2.gz RTQAVPFWSIVWDI-RDJZCZTQSA-N 2 2 371.441 0.503 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@]12CCNC2=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000583508344 491846438 /nfs/dbraw/zinc/84/64/38/491846438.db2.gz IHYUXSMUILRRSA-SFHVURJKSA-N 2 2 362.499 0.747 20 0 FCADLP O=C(C[N@H+]1CCC[C@@]12CCNC2=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000583508344 491846439 /nfs/dbraw/zinc/84/64/39/491846439.db2.gz IHYUXSMUILRRSA-SFHVURJKSA-N 2 2 362.499 0.747 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000583587592 491848167 /nfs/dbraw/zinc/84/81/67/491848167.db2.gz SWKKPWITNJGABU-JKSUJKDBSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000583587592 491848168 /nfs/dbraw/zinc/84/81/68/491848168.db2.gz SWKKPWITNJGABU-JKSUJKDBSA-N 2 2 361.490 0.984 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000583683297 491849986 /nfs/dbraw/zinc/84/99/86/491849986.db2.gz DXPASIOWOGYNEE-GJZGRUSLSA-N 2 2 362.478 0.214 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000583750592 491851095 /nfs/dbraw/zinc/85/10/95/491851095.db2.gz ZNGUXHJAZKSDGP-KRWDZBQOSA-N 2 2 360.458 0.716 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584107416 491858642 /nfs/dbraw/zinc/85/86/42/491858642.db2.gz YGCYKLLPEOHYQW-HOCLYGCPSA-N 2 2 369.487 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138881 491859294 /nfs/dbraw/zinc/85/92/94/491859294.db2.gz IAKWKMYKTQYTEM-CZUORRHYSA-N 2 2 359.474 0.777 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138881 491859295 /nfs/dbraw/zinc/85/92/95/491859295.db2.gz IAKWKMYKTQYTEM-CZUORRHYSA-N 2 2 359.474 0.777 20 0 FCADLP O[C@@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)Cn1cccn1 ZINC000584167949 491859821 /nfs/dbraw/zinc/85/98/21/491859821.db2.gz MLCSSSNZJDOMTE-SFHVURJKSA-N 2 2 360.458 0.745 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000611675229 491867100 /nfs/dbraw/zinc/86/71/00/491867100.db2.gz ROXYIRAEWAMQHG-HNNXBMFYSA-N 2 2 351.520 0.994 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611692745 491868902 /nfs/dbraw/zinc/86/89/02/491868902.db2.gz WVLRAWBGOAFUDZ-GJZGRUSLSA-N 2 2 359.474 0.837 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611692745 491868903 /nfs/dbraw/zinc/86/89/03/491868903.db2.gz WVLRAWBGOAFUDZ-GJZGRUSLSA-N 2 2 359.474 0.837 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875786 491869196 /nfs/dbraw/zinc/86/91/96/491869196.db2.gz QLHAQGUOAJYGCZ-KCPJHIHWSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875786 491869198 /nfs/dbraw/zinc/86/91/98/491869198.db2.gz QLHAQGUOAJYGCZ-KCPJHIHWSA-N 2 2 350.850 0.589 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876299 491869906 /nfs/dbraw/zinc/86/99/06/491869906.db2.gz QHLCXVXTAIWGRM-KCPJHIHWSA-N 2 2 366.824 0.828 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876299 491869909 /nfs/dbraw/zinc/86/99/09/491869909.db2.gz QHLCXVXTAIWGRM-KCPJHIHWSA-N 2 2 366.824 0.828 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594977191 491874183 /nfs/dbraw/zinc/87/41/83/491874183.db2.gz VAHDOHDWVBVXGA-AEFFLSMTSA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594977191 491874185 /nfs/dbraw/zinc/87/41/85/491874185.db2.gz VAHDOHDWVBVXGA-AEFFLSMTSA-N 2 2 368.547 0.978 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000600724707 491878771 /nfs/dbraw/zinc/87/87/71/491878771.db2.gz HHEYQKHJSOLHNE-STQMWFEESA-N 2 2 365.396 0.857 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000600724707 491878772 /nfs/dbraw/zinc/87/87/72/491878772.db2.gz HHEYQKHJSOLHNE-STQMWFEESA-N 2 2 365.396 0.857 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000600980857 491891272 /nfs/dbraw/zinc/89/12/72/491891272.db2.gz LWLMWMOLTCAHOG-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000600980857 491891273 /nfs/dbraw/zinc/89/12/73/491891273.db2.gz LWLMWMOLTCAHOG-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CCOC(=O)C1(C)CC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000601271779 491901144 /nfs/dbraw/zinc/90/11/44/491901144.db2.gz SIQFSDKIWHSSKM-SYJJWHGVSA-N 2 2 353.463 0.241 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)CCN2C1=O ZINC000595265752 491909407 /nfs/dbraw/zinc/90/94/07/491909407.db2.gz CKUHFPYFWGPRKD-HOTGVXAUSA-N 2 2 372.473 0.525 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000612482891 491923758 /nfs/dbraw/zinc/92/37/58/491923758.db2.gz SEMQEMXWFIJPTR-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CCOC(=O)c1c(C)n[nH]c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000595363769 491924282 /nfs/dbraw/zinc/92/42/82/491924282.db2.gz BJKOSBHYFLXPCO-UHFFFAOYSA-N 2 2 365.478 0.785 20 0 FCADLP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601471988 491925249 /nfs/dbraw/zinc/92/52/49/491925249.db2.gz BNOOKZLGQWDOHD-QGZVFWFLSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601471988 491925251 /nfs/dbraw/zinc/92/52/51/491925251.db2.gz BNOOKZLGQWDOHD-QGZVFWFLSA-N 2 2 374.485 0.791 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391367 491927796 /nfs/dbraw/zinc/92/77/96/491927796.db2.gz IWXHIHCRAZZZBH-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391367 491927798 /nfs/dbraw/zinc/92/77/98/491927798.db2.gz IWXHIHCRAZZZBH-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)CCN1CC[C@H](N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000595391367 491927800 /nfs/dbraw/zinc/92/78/00/491927800.db2.gz IWXHIHCRAZZZBH-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)CCN1CC[C@H](N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000595391367 491927803 /nfs/dbraw/zinc/92/78/03/491927803.db2.gz IWXHIHCRAZZZBH-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543939 491931794 /nfs/dbraw/zinc/93/17/94/491931794.db2.gz TYDXDDOYPYXKLW-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543939 491931795 /nfs/dbraw/zinc/93/17/95/491931795.db2.gz TYDXDDOYPYXKLW-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543939 491931797 /nfs/dbraw/zinc/93/17/97/491931797.db2.gz TYDXDDOYPYXKLW-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543939 491931799 /nfs/dbraw/zinc/93/17/99/491931799.db2.gz TYDXDDOYPYXKLW-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478104 491935219 /nfs/dbraw/zinc/93/52/19/491935219.db2.gz ZJORPIOLTFRYOW-HZPDHXFCSA-N 2 2 353.463 0.195 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478104 491935221 /nfs/dbraw/zinc/93/52/21/491935221.db2.gz ZJORPIOLTFRYOW-HZPDHXFCSA-N 2 2 353.463 0.195 20 0 FCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612863417 491956065 /nfs/dbraw/zinc/95/60/65/491956065.db2.gz VKQHOCXYKCRXCQ-HNNXBMFYSA-N 2 2 372.477 0.605 20 0 FCADLP C[C@]1(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000612875973 491956540 /nfs/dbraw/zinc/95/65/40/491956540.db2.gz JIOYHFALANUHHS-IBGZPJMESA-N 2 2 362.474 0.949 20 0 FCADLP C[C@]1(NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612876312 491956652 /nfs/dbraw/zinc/95/66/52/491956652.db2.gz MBMVSDUYRRBBJT-IBGZPJMESA-N 2 2 362.474 0.949 20 0 FCADLP C[C@]1(NC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CC[NH2+]C1 ZINC000612876941 491956685 /nfs/dbraw/zinc/95/66/85/491956685.db2.gz TVOKZVUJJPRBHU-SFHVURJKSA-N 2 2 360.462 0.335 20 0 FCADLP C[C@@]1(NC(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CC[NH2+]C1 ZINC000612876940 491956693 /nfs/dbraw/zinc/95/66/93/491956693.db2.gz TVOKZVUJJPRBHU-GOSISDBHSA-N 2 2 360.462 0.335 20 0 FCADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000602200209 491967438 /nfs/dbraw/zinc/96/74/38/491967438.db2.gz DMYITWVXJCLIJA-CYBMUJFWSA-N 2 2 372.473 0.881 20 0 FCADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000602200209 491967439 /nfs/dbraw/zinc/96/74/39/491967439.db2.gz DMYITWVXJCLIJA-CYBMUJFWSA-N 2 2 372.473 0.881 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000602201522 491968194 /nfs/dbraw/zinc/96/81/94/491968194.db2.gz QSCYJVGSNIMTHK-KRWDZBQOSA-N 3 2 352.523 0.774 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000602201522 491968197 /nfs/dbraw/zinc/96/81/97/491968197.db2.gz QSCYJVGSNIMTHK-KRWDZBQOSA-N 3 2 352.523 0.774 20 0 FCADLP Cc1nnc2n1C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000596311367 491983825 /nfs/dbraw/zinc/98/38/25/491983825.db2.gz GZLYFSYHWQOFTQ-HNNXBMFYSA-N 2 2 351.499 0.332 20 0 FCADLP Cc1nnc2n1C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2 ZINC000596311367 491983826 /nfs/dbraw/zinc/98/38/26/491983826.db2.gz GZLYFSYHWQOFTQ-HNNXBMFYSA-N 2 2 351.499 0.332 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613552363 491985840 /nfs/dbraw/zinc/98/58/40/491985840.db2.gz FDZLDAQLCHHRMQ-VWYCJHECSA-N 2 2 370.375 0.698 20 0 FCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000613555122 491986139 /nfs/dbraw/zinc/98/61/39/491986139.db2.gz DPLXOFNTZHFDDQ-ROUUACIJSA-N 2 2 362.518 0.779 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@@H]1C ZINC000602503249 491989944 /nfs/dbraw/zinc/98/99/44/491989944.db2.gz PDJQRPQAOOLGQQ-WMLDXEAASA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@@H]1C ZINC000602503249 491989945 /nfs/dbraw/zinc/98/99/45/491989945.db2.gz PDJQRPQAOOLGQQ-WMLDXEAASA-N 2 2 363.458 0.661 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000602537253 491992417 /nfs/dbraw/zinc/99/24/17/491992417.db2.gz DAXIZJXALNYQTK-QGZVFWFLSA-N 2 2 374.485 0.521 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000602537253 491992419 /nfs/dbraw/zinc/99/24/19/491992419.db2.gz DAXIZJXALNYQTK-QGZVFWFLSA-N 2 2 374.485 0.521 20 0 FCADLP COC(=O)[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000596958033 492006544 /nfs/dbraw/zinc/00/65/44/492006544.db2.gz CHCORNJEAXBJBW-IIAWOOMASA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000596958033 492006545 /nfs/dbraw/zinc/00/65/45/492006545.db2.gz CHCORNJEAXBJBW-IIAWOOMASA-N 2 2 352.479 0.748 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613994746 492009111 /nfs/dbraw/zinc/00/91/11/492009111.db2.gz BEHSBNCQYGODKP-IAGOWNOFSA-N 2 2 350.507 0.539 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212818 492022599 /nfs/dbraw/zinc/02/25/99/492022599.db2.gz BMDJTLGZIWUKLR-SJORKVTESA-N 2 2 367.490 0.772 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212818 492022601 /nfs/dbraw/zinc/02/26/01/492022601.db2.gz BMDJTLGZIWUKLR-SJORKVTESA-N 2 2 367.490 0.772 20 0 FCADLP C[NH+]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000603607927 492038853 /nfs/dbraw/zinc/03/88/53/492038853.db2.gz LXNOQBYSBKTUON-UHFFFAOYSA-N 2 2 365.522 0.668 20 0 FCADLP CC(C)(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000603814766 492042839 /nfs/dbraw/zinc/04/28/39/492042839.db2.gz CDPGXFCHJBFSFN-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC(C)(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000603814766 492042840 /nfs/dbraw/zinc/04/28/40/492042840.db2.gz CDPGXFCHJBFSFN-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163646 492052191 /nfs/dbraw/zinc/05/21/91/492052191.db2.gz NOCQCZARHSABOA-NVXWUHKLSA-N 2 2 359.474 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163646 492052193 /nfs/dbraw/zinc/05/21/93/492052193.db2.gz NOCQCZARHSABOA-NVXWUHKLSA-N 2 2 359.474 0.681 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nnc4n3CCCC4)C2)CC1 ZINC000604177271 492052980 /nfs/dbraw/zinc/05/29/80/492052980.db2.gz QTPWEAZQYYNUNS-AWEZNQCLSA-N 2 2 361.494 0.582 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3nnc4n3CCCC4)C2)CC1 ZINC000604177271 492052982 /nfs/dbraw/zinc/05/29/82/492052982.db2.gz QTPWEAZQYYNUNS-AWEZNQCLSA-N 2 2 361.494 0.582 20 0 FCADLP CNC(=O)C1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604184262 492053139 /nfs/dbraw/zinc/05/31/39/492053139.db2.gz AGYZNWAVZLHXMY-GPANFISMSA-N 2 2 365.522 0.759 20 0 FCADLP CNC(=O)C1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604184262 492053141 /nfs/dbraw/zinc/05/31/41/492053141.db2.gz AGYZNWAVZLHXMY-GPANFISMSA-N 2 2 365.522 0.759 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000604184194 492053216 /nfs/dbraw/zinc/05/32/16/492053216.db2.gz IQCHLIFWAPZWKB-HOTGVXAUSA-N 2 2 371.526 0.195 20 0 FCADLP Cc1noc(CCCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604190518 492053950 /nfs/dbraw/zinc/05/39/50/492053950.db2.gz FKOQTSPDACJGCP-CQSZACIVSA-N 2 2 350.467 0.778 20 0 FCADLP Cc1noc(CCCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604190518 492053952 /nfs/dbraw/zinc/05/39/52/492053952.db2.gz FKOQTSPDACJGCP-CQSZACIVSA-N 2 2 350.467 0.778 20 0 FCADLP CN(C)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209717 492054895 /nfs/dbraw/zinc/05/48/95/492054895.db2.gz WMDBPYZDRFJRHP-OAHLLOKOSA-N 2 2 366.510 0.164 20 0 FCADLP CN(C)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209717 492054897 /nfs/dbraw/zinc/05/48/97/492054897.db2.gz WMDBPYZDRFJRHP-OAHLLOKOSA-N 2 2 366.510 0.164 20 0 FCADLP O=C(N1CCC[C@H]([NH+]2CCOCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615545663 492093709 /nfs/dbraw/zinc/09/37/09/492093709.db2.gz FOANDECQMFNPHX-FPOVZHCZSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CCC[C@H]([NH+]2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615545663 492093710 /nfs/dbraw/zinc/09/37/10/492093710.db2.gz FOANDECQMFNPHX-FPOVZHCZSA-N 2 2 373.497 0.947 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428043 492122571 /nfs/dbraw/zinc/12/25/71/492122571.db2.gz GAJQZRQDZOZBTK-MRXNPFEDSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428043 492122574 /nfs/dbraw/zinc/12/25/74/492122574.db2.gz GAJQZRQDZOZBTK-MRXNPFEDSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428043 492122577 /nfs/dbraw/zinc/12/25/77/492122577.db2.gz GAJQZRQDZOZBTK-MRXNPFEDSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428043 492122578 /nfs/dbraw/zinc/12/25/78/492122578.db2.gz GAJQZRQDZOZBTK-MRXNPFEDSA-N 2 2 374.489 0.446 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000616254385 492123071 /nfs/dbraw/zinc/12/30/71/492123071.db2.gz GHJITLZTOROFGB-CQSZACIVSA-N 2 2 350.463 0.629 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000616254385 492123073 /nfs/dbraw/zinc/12/30/73/492123073.db2.gz GHJITLZTOROFGB-CQSZACIVSA-N 2 2 350.463 0.629 20 0 FCADLP C[C@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000606716502 492128294 /nfs/dbraw/zinc/12/82/94/492128294.db2.gz SOLKKRBGCFGZBK-OAHLLOKOSA-N 2 2 350.467 0.205 20 0 FCADLP C[NH+]1CCC(O)(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000607230171 492141852 /nfs/dbraw/zinc/14/18/52/492141852.db2.gz DBZQBJIHPZZXBZ-UHFFFAOYSA-N 2 2 363.462 0.174 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352499 492164698 /nfs/dbraw/zinc/16/46/98/492164698.db2.gz XWIGSSAMHOWAOG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352499 492164700 /nfs/dbraw/zinc/16/47/00/492164700.db2.gz XWIGSSAMHOWAOG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352501 492164714 /nfs/dbraw/zinc/16/47/14/492164714.db2.gz XWIGSSAMHOWAOG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352501 492164716 /nfs/dbraw/zinc/16/47/16/492164716.db2.gz XWIGSSAMHOWAOG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CCC(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000608312619 492172172 /nfs/dbraw/zinc/17/21/72/492172172.db2.gz ICTWMRBCGSYGKW-UHFFFAOYSA-N 2 2 350.467 0.679 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000609716533 492219942 /nfs/dbraw/zinc/21/99/42/492219942.db2.gz RELDRXUAYXGTEP-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000609716533 492219944 /nfs/dbraw/zinc/21/99/44/492219944.db2.gz RELDRXUAYXGTEP-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609920240 492227526 /nfs/dbraw/zinc/22/75/26/492227526.db2.gz CBYXTTZHGULUFF-CFJKZRSOSA-N 2 2 356.536 0.706 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609920240 492227528 /nfs/dbraw/zinc/22/75/28/492227528.db2.gz CBYXTTZHGULUFF-CFJKZRSOSA-N 2 2 356.536 0.706 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995528 492273922 /nfs/dbraw/zinc/27/39/22/492273922.db2.gz WIGAFAIMFUCMKH-BZUAXINKSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995528 492273924 /nfs/dbraw/zinc/27/39/24/492273924.db2.gz WIGAFAIMFUCMKH-BZUAXINKSA-N 2 2 352.479 0.938 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641735071 492300948 /nfs/dbraw/zinc/30/09/48/492300948.db2.gz LYXZEAPNVIXHKO-QGZVFWFLSA-N 2 2 364.494 0.369 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641735071 492300949 /nfs/dbraw/zinc/30/09/49/492300949.db2.gz LYXZEAPNVIXHKO-QGZVFWFLSA-N 2 2 364.494 0.369 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000627457573 492304017 /nfs/dbraw/zinc/30/40/17/492304017.db2.gz APOMJGVPLTUMJT-ZWKOTPCHSA-N 2 2 358.486 0.896 20 0 FCADLP CN(C)C(=O)N1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641786133 492305255 /nfs/dbraw/zinc/30/52/55/492305255.db2.gz OKOVGTLPDIYDIM-GOSISDBHSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c2)CC1 ZINC000641822604 492310292 /nfs/dbraw/zinc/31/02/92/492310292.db2.gz VVPVKZNPFCWSSW-UHFFFAOYSA-N 2 2 361.490 0.616 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627474451 492313217 /nfs/dbraw/zinc/31/32/17/492313217.db2.gz OTCJVWVLXCNQRA-UKRRQHHQSA-N 2 2 366.487 0.058 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000627478348 492314576 /nfs/dbraw/zinc/31/45/76/492314576.db2.gz LJLAMZDOTBTFAE-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[NH2+]1 ZINC000627478726 492315567 /nfs/dbraw/zinc/31/55/67/492315567.db2.gz RCDFNVHWENYWCW-IAGOWNOFSA-N 2 2 374.485 0.466 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)Nc1cc(N3CC[NH+](C)CC3)cc[nH+]1)N(C)C2 ZINC000634194431 492325184 /nfs/dbraw/zinc/32/51/84/492325184.db2.gz MLECZDRPIHIUEO-OAHLLOKOSA-N 2 2 370.461 0.186 20 0 FCADLP COCCN1C[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1=O ZINC000634197331 492326255 /nfs/dbraw/zinc/32/62/55/492326255.db2.gz FBGWWVLVSRJKMS-CQSZACIVSA-N 2 2 361.446 0.267 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000642015647 492327869 /nfs/dbraw/zinc/32/78/69/492327869.db2.gz DLYKNSOMMGAJQH-QGZVFWFLSA-N 2 2 362.474 0.819 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccn2cc[nH+]c2c1 ZINC000647644559 492340046 /nfs/dbraw/zinc/34/00/46/492340046.db2.gz DPAFXBJXFYUILP-MRXNPFEDSA-N 2 2 371.441 0.986 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000642304553 492349670 /nfs/dbraw/zinc/34/96/70/492349670.db2.gz IUZNCIDWPQTWLZ-RDJZCZTQSA-N 2 2 362.474 0.594 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000642304553 492349672 /nfs/dbraw/zinc/34/96/72/492349672.db2.gz IUZNCIDWPQTWLZ-RDJZCZTQSA-N 2 2 362.474 0.594 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642329997 492352199 /nfs/dbraw/zinc/35/21/99/492352199.db2.gz CVTLXGVWKDYWNM-ZBFHGGJFSA-N 2 2 371.416 0.838 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000642337447 492353010 /nfs/dbraw/zinc/35/30/10/492353010.db2.gz GOUCGGZQTKMOBF-GJZGRUSLSA-N 2 2 352.479 0.086 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642381282 492355889 /nfs/dbraw/zinc/35/58/89/492355889.db2.gz ZTYUAGYYPDZNGS-HOTGVXAUSA-N 2 2 355.442 0.884 20 0 FCADLP O=C(C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000634640919 492357354 /nfs/dbraw/zinc/35/73/54/492357354.db2.gz JJEADMMAMDPAQV-NRFANRHFSA-N 2 2 372.513 0.520 20 0 FCADLP O=C(C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000634640919 492357356 /nfs/dbraw/zinc/35/73/56/492357356.db2.gz JJEADMMAMDPAQV-NRFANRHFSA-N 2 2 372.513 0.520 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642519160 492360616 /nfs/dbraw/zinc/36/06/16/492360616.db2.gz UBQXJCUPMSALPC-DLBZAZTESA-N 2 2 371.485 0.899 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@H]1[NH3+] ZINC000642519125 492360772 /nfs/dbraw/zinc/36/07/72/492360772.db2.gz FWYWCKYMANNCHO-HZPDHXFCSA-N 2 2 359.474 0.884 20 0 FCADLP C[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000621266723 492367387 /nfs/dbraw/zinc/36/73/87/492367387.db2.gz XYZXUXDIYNQXST-UHFFFAOYSA-N 2 2 367.457 0.927 20 0 FCADLP C[N@@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000621266723 492367391 /nfs/dbraw/zinc/36/73/91/492367391.db2.gz XYZXUXDIYNQXST-UHFFFAOYSA-N 2 2 367.457 0.927 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642687169 492373691 /nfs/dbraw/zinc/37/36/91/492373691.db2.gz YEUGNWYVWINPFD-CVEARBPZSA-N 2 2 357.458 0.508 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642705178 492375909 /nfs/dbraw/zinc/37/59/09/492375909.db2.gz COFPSOBPIOSFMT-SJORKVTESA-N 2 2 371.485 0.899 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000642728675 492381985 /nfs/dbraw/zinc/38/19/85/492381985.db2.gz SYYJQECZZJAEMZ-NILFDRSVSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728675 492381988 /nfs/dbraw/zinc/38/19/88/492381988.db2.gz SYYJQECZZJAEMZ-NILFDRSVSA-N 2 2 368.865 0.291 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@@H]1[NH3+] ZINC000647938484 492385742 /nfs/dbraw/zinc/38/57/42/492385742.db2.gz OKHXQQUVJLYDRA-WFASDCNBSA-N 2 2 366.487 0.282 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@@H]1[NH3+] ZINC000647938484 492385748 /nfs/dbraw/zinc/38/57/48/492385748.db2.gz OKHXQQUVJLYDRA-WFASDCNBSA-N 2 2 366.487 0.282 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936564 492385860 /nfs/dbraw/zinc/38/58/60/492385860.db2.gz HEPFTFQMNPEBCC-CABCVRRESA-N 2 2 362.540 0.222 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936564 492385862 /nfs/dbraw/zinc/38/58/62/492385862.db2.gz HEPFTFQMNPEBCC-CABCVRRESA-N 2 2 362.540 0.222 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])c(N2CCCC2)[nH+]1 ZINC000642778749 492389050 /nfs/dbraw/zinc/38/90/50/492389050.db2.gz ILQHURYPUUALFT-UHFFFAOYSA-N 2 2 355.389 0.317 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788790 492391716 /nfs/dbraw/zinc/39/17/16/492391716.db2.gz CQRWVVXZPTWTOU-VBNZEHGJSA-N 2 2 360.458 0.519 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788790 492391719 /nfs/dbraw/zinc/39/17/19/492391719.db2.gz CQRWVVXZPTWTOU-VBNZEHGJSA-N 2 2 360.458 0.519 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902736 492399295 /nfs/dbraw/zinc/39/92/95/492399295.db2.gz YYRSJXAOMGXARQ-SFHVURJKSA-N 2 2 358.486 0.898 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000642902151 492399370 /nfs/dbraw/zinc/39/93/70/492399370.db2.gz LLEGZSGFPCYGOZ-AWEZNQCLSA-N 2 2 350.488 0.651 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642905279 492400977 /nfs/dbraw/zinc/40/09/77/492400977.db2.gz JQDPMMQZNDZRPE-DOTOQJQBSA-N 2 2 359.474 0.545 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621651854 492402181 /nfs/dbraw/zinc/40/21/81/492402181.db2.gz RJVQQHXGCADNPR-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000642919922 492403949 /nfs/dbraw/zinc/40/39/49/492403949.db2.gz NXNAFWNJLGTZAL-HNNXBMFYSA-N 2 2 374.485 0.769 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621700598 492406195 /nfs/dbraw/zinc/40/61/95/492406195.db2.gz RORXIFVAQDXBKL-RDTXWAMCSA-N 2 2 365.499 0.975 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000642952536 492406955 /nfs/dbraw/zinc/40/69/55/492406955.db2.gz KSDWDBDQENHQFN-HNNXBMFYSA-N 2 2 362.474 0.501 20 0 FCADLP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000642971703 492409234 /nfs/dbraw/zinc/40/92/34/492409234.db2.gz YOHHUCOFRDZDNX-AWEZNQCLSA-N 2 2 373.457 0.740 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635182835 492411292 /nfs/dbraw/zinc/41/12/92/492411292.db2.gz ZGCOOXRHQRNMOT-UHFFFAOYSA-N 2 2 369.473 0.888 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C2 ZINC000621781871 492412195 /nfs/dbraw/zinc/41/21/95/492412195.db2.gz JMTMBPYBEQYGPC-TZIWHRDSSA-N 2 2 372.513 0.948 20 0 FCADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000643082329 492417977 /nfs/dbraw/zinc/41/79/77/492417977.db2.gz SXPVBIKLXZWNQW-JKSUJKDBSA-N 2 2 363.458 0.725 20 0 FCADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000643082329 492417980 /nfs/dbraw/zinc/41/79/80/492417980.db2.gz SXPVBIKLXZWNQW-JKSUJKDBSA-N 2 2 363.458 0.725 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(N3CCCC3)[nH+]c1)C2 ZINC000621841395 492423564 /nfs/dbraw/zinc/42/35/64/492423564.db2.gz VBJASYYLZJSLPC-BEFAXECRSA-N 2 2 357.458 0.638 20 0 FCADLP O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643252625 492435830 /nfs/dbraw/zinc/43/58/30/492435830.db2.gz AYQCXLRHSVOCLT-IBGZPJMESA-N 2 2 357.458 0.747 20 0 FCADLP O[C@@]1(Cn2ccnn2)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643252625 492435835 /nfs/dbraw/zinc/43/58/35/492435835.db2.gz AYQCXLRHSVOCLT-IBGZPJMESA-N 2 2 357.458 0.747 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)CC2)c1 ZINC000622025906 492441802 /nfs/dbraw/zinc/44/18/02/492441802.db2.gz YVXKPDYFFLFIER-RXVVDRJESA-N 2 2 370.497 0.979 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655443771 492443061 /nfs/dbraw/zinc/44/30/61/492443061.db2.gz YLBCJBWWHLTOII-RDTXWAMCSA-N 2 2 355.446 0.402 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000635400103 492443476 /nfs/dbraw/zinc/44/34/76/492443476.db2.gz KOEGWWIBWKUVIM-UHFFFAOYSA-N 2 2 371.441 0.882 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000635418899 492446139 /nfs/dbraw/zinc/44/61/39/492446139.db2.gz HHTDQRIYAGPDIP-CYBMUJFWSA-N 2 2 354.476 0.511 20 0 FCADLP COC1([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397889 492447907 /nfs/dbraw/zinc/44/79/07/492447907.db2.gz XXAMHYIOXVHUIB-LSDHHAIUSA-N 2 2 366.506 0.345 20 0 FCADLP COC1([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397889 492447910 /nfs/dbraw/zinc/44/79/10/492447910.db2.gz XXAMHYIOXVHUIB-LSDHHAIUSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397678 492448221 /nfs/dbraw/zinc/44/82/21/492448221.db2.gz IHZGSMIXMAVFTI-SJLPKXTDSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397678 492448225 /nfs/dbraw/zinc/44/82/25/492448225.db2.gz IHZGSMIXMAVFTI-SJLPKXTDSA-N 2 2 362.518 0.966 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000643399798 492449430 /nfs/dbraw/zinc/44/94/30/492449430.db2.gz RSHHVMANDXWOCZ-INIZCTEOSA-N 2 2 357.458 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000643399798 492449433 /nfs/dbraw/zinc/44/94/33/492449433.db2.gz RSHHVMANDXWOCZ-INIZCTEOSA-N 2 2 357.458 0.854 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552416 492455667 /nfs/dbraw/zinc/45/56/67/492455667.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552416 492455671 /nfs/dbraw/zinc/45/56/71/492455671.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552416 492455674 /nfs/dbraw/zinc/45/56/74/492455674.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552416 492455679 /nfs/dbraw/zinc/45/56/79/492455679.db2.gz XXVNDVILUJYISE-WMZOPIPTSA-N 3 2 367.538 0.301 20 0 FCADLP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000643454642 492467612 /nfs/dbraw/zinc/46/76/12/492467612.db2.gz YYUPPZAITRZGBO-SJORKVTESA-N 2 2 353.488 0.592 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643477217 492473960 /nfs/dbraw/zinc/47/39/60/492473960.db2.gz YNAYERUFHIBKFD-UHFFFAOYSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000643476989 492474042 /nfs/dbraw/zinc/47/40/42/492474042.db2.gz MBGUEOYVLSJDFW-OALUTQOASA-N 2 2 370.497 0.707 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000643477876 492474276 /nfs/dbraw/zinc/47/42/76/492474276.db2.gz HJDUOPLZTCLWKQ-GDBMZVCRSA-N 2 2 362.499 0.603 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643477174 492474508 /nfs/dbraw/zinc/47/45/08/492474508.db2.gz SNKLOUPMHHGIJI-RTBURBONSA-N 2 2 370.497 0.850 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655716250 492478731 /nfs/dbraw/zinc/47/87/31/492478731.db2.gz RHVJONGFBUOOFC-UXHICEINSA-N 3 2 366.550 0.626 20 0 FCADLP CN(C)[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1c[nH+]cn1C ZINC000622690210 492483292 /nfs/dbraw/zinc/48/32/92/492483292.db2.gz KIFSMOIVVFWFPJ-INIZCTEOSA-N 2 2 365.478 0.020 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H]3CC[NH2+][C@@H]3C1)C2 ZINC000643513768 492486300 /nfs/dbraw/zinc/48/63/00/492486300.db2.gz LVSMFQKGBFJZOL-ZIAGYGMSSA-N 2 2 359.474 0.639 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000643516579 492487432 /nfs/dbraw/zinc/48/74/32/492487432.db2.gz VOHJMNGBPDUTIS-BPQIPLTHSA-N 2 2 371.485 0.355 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000643516438 492487476 /nfs/dbraw/zinc/48/74/76/492487476.db2.gz CPZZQFWKRMILGP-OXQOHEQNSA-N 2 2 371.485 0.499 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643541450 492494577 /nfs/dbraw/zinc/49/45/77/492494577.db2.gz MZCSZJGTRZPFMG-CVEARBPZSA-N 2 2 357.458 0.249 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000643563121 492498517 /nfs/dbraw/zinc/49/85/17/492498517.db2.gz IYCMGJKVRXPAIR-XYJFISCASA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000643563121 492498518 /nfs/dbraw/zinc/49/85/18/492498518.db2.gz IYCMGJKVRXPAIR-XYJFISCASA-N 2 2 374.485 0.294 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563215 492498613 /nfs/dbraw/zinc/49/86/13/492498613.db2.gz NOXJOJSUPCBVQF-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563215 492498617 /nfs/dbraw/zinc/49/86/17/492498617.db2.gz NOXJOJSUPCBVQF-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562933 492499014 /nfs/dbraw/zinc/49/90/14/492499014.db2.gz DKTOBCOYCUMLIT-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562933 492499018 /nfs/dbraw/zinc/49/90/18/492499018.db2.gz DKTOBCOYCUMLIT-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649281588 492520487 /nfs/dbraw/zinc/52/04/87/492520487.db2.gz VJKKAGXWUCKIGB-IRXDYDNUSA-N 2 2 370.457 0.616 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649295982 492524890 /nfs/dbraw/zinc/52/48/90/492524890.db2.gz NOZSOKZJMSWJNZ-SJLPKXTDSA-N 2 2 370.457 0.616 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)CC)CC2)CC1 ZINC000656063048 492526414 /nfs/dbraw/zinc/52/64/14/492526414.db2.gz XCIBDPMZXUHKIO-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1CC)C(=O)NCC[NH+]1CCOCC1 ZINC000649301035 492526856 /nfs/dbraw/zinc/52/68/56/492526856.db2.gz CCUBYYKCZYVZPI-NXOAAHMSSA-N 2 2 368.522 0.354 20 0 FCADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414517 492552588 /nfs/dbraw/zinc/55/25/88/492552588.db2.gz DZJZTEILXBCSBO-FQEVSTJZSA-N 3 2 372.561 0.821 20 0 FCADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414517 492552591 /nfs/dbraw/zinc/55/25/91/492552591.db2.gz DZJZTEILXBCSBO-FQEVSTJZSA-N 3 2 372.561 0.821 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000643772544 492554008 /nfs/dbraw/zinc/55/40/08/492554008.db2.gz GOPOFPYCNRXCJF-CVEARBPZSA-N 2 2 357.462 0.914 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636252701 492570592 /nfs/dbraw/zinc/57/05/92/492570592.db2.gz DHXWRQLLGKRMTR-LPHOPBHVSA-N 2 2 351.491 0.735 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636252701 492570595 /nfs/dbraw/zinc/57/05/95/492570595.db2.gz DHXWRQLLGKRMTR-LPHOPBHVSA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636252701 492570596 /nfs/dbraw/zinc/57/05/96/492570596.db2.gz DHXWRQLLGKRMTR-LPHOPBHVSA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636252701 492570600 /nfs/dbraw/zinc/57/06/00/492570600.db2.gz DHXWRQLLGKRMTR-LPHOPBHVSA-N 2 2 351.491 0.735 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000649761119 492581471 /nfs/dbraw/zinc/58/14/71/492581471.db2.gz LZWOXSOGSWTJCV-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000649761119 492581474 /nfs/dbraw/zinc/58/14/74/492581474.db2.gz LZWOXSOGSWTJCV-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1C ZINC000656311760 492585710 /nfs/dbraw/zinc/58/57/10/492585710.db2.gz HTCCXWKAOUMTCV-CABCVRRESA-N 2 2 362.478 0.235 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464982 492593371 /nfs/dbraw/zinc/59/33/71/492593371.db2.gz OSZKFOFXAALREA-ZWKOTPCHSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464982 492593374 /nfs/dbraw/zinc/59/33/74/492593374.db2.gz OSZKFOFXAALREA-ZWKOTPCHSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636464982 492593378 /nfs/dbraw/zinc/59/33/78/492593378.db2.gz OSZKFOFXAALREA-ZWKOTPCHSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636464982 492593381 /nfs/dbraw/zinc/59/33/81/492593381.db2.gz OSZKFOFXAALREA-ZWKOTPCHSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000636467438 492594051 /nfs/dbraw/zinc/59/40/51/492594051.db2.gz JTCZGVOAWIQZCY-UHFFFAOYSA-N 2 2 374.470 0.264 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467328 492594401 /nfs/dbraw/zinc/59/44/01/492594401.db2.gz HBKGLJRBXVEXJH-AEFFLSMTSA-N 2 2 369.469 0.884 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467328 492594403 /nfs/dbraw/zinc/59/44/03/492594403.db2.gz HBKGLJRBXVEXJH-AEFFLSMTSA-N 2 2 369.469 0.884 20 0 FCADLP CC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636475887 492596074 /nfs/dbraw/zinc/59/60/74/492596074.db2.gz FKZGQPVYSWRJQP-GOSISDBHSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636475887 492596077 /nfs/dbraw/zinc/59/60/77/492596077.db2.gz FKZGQPVYSWRJQP-GOSISDBHSA-N 2 2 354.495 0.386 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656357757 492611440 /nfs/dbraw/zinc/61/14/40/492611440.db2.gz HCGHDDJIEBFOOY-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656357757 492611443 /nfs/dbraw/zinc/61/14/43/492611443.db2.gz HCGHDDJIEBFOOY-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CCO1 ZINC000656359870 492613496 /nfs/dbraw/zinc/61/34/96/492613496.db2.gz QUWKWSLZEQTBOQ-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CCO1 ZINC000656359870 492613499 /nfs/dbraw/zinc/61/34/99/492613499.db2.gz QUWKWSLZEQTBOQ-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000656359870 492613501 /nfs/dbraw/zinc/61/35/01/492613501.db2.gz QUWKWSLZEQTBOQ-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000656359870 492613506 /nfs/dbraw/zinc/61/35/06/492613506.db2.gz QUWKWSLZEQTBOQ-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472541 492623809 /nfs/dbraw/zinc/62/38/09/492623809.db2.gz IYOQCYUASYYEQN-QWHCGFSZSA-N 2 2 360.399 0.434 20 0 FCADLP O=S(=O)(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000629554187 492644583 /nfs/dbraw/zinc/64/45/83/492644583.db2.gz BZLYARDYLXINTI-AWEZNQCLSA-N 2 2 361.895 0.665 20 0 FCADLP COc1ccc(S(=O)(=O)N2CC([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000629573144 492651101 /nfs/dbraw/zinc/65/11/01/492651101.db2.gz CIDLGYGMMCFRGJ-OAHLLOKOSA-N 2 2 369.487 0.114 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644156994 492655513 /nfs/dbraw/zinc/65/55/13/492655513.db2.gz SDQIVCSFEIURFF-LSDHHAIUSA-N 2 2 362.478 0.254 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644156994 492655518 /nfs/dbraw/zinc/65/55/18/492655518.db2.gz SDQIVCSFEIURFF-LSDHHAIUSA-N 2 2 362.478 0.254 20 0 FCADLP COCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644161392 492655636 /nfs/dbraw/zinc/65/56/36/492655636.db2.gz VAUFERBUUPCTRY-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP COCC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644161392 492655641 /nfs/dbraw/zinc/65/56/41/492655641.db2.gz VAUFERBUUPCTRY-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000650669847 492660202 /nfs/dbraw/zinc/66/02/02/492660202.db2.gz QHIKPPRWSCWADB-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000650669847 492660203 /nfs/dbraw/zinc/66/02/03/492660203.db2.gz QHIKPPRWSCWADB-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(NCC[NH+]1CCc2sccc2C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650728270 492664691 /nfs/dbraw/zinc/66/46/91/492664691.db2.gz BGXJEFKZLITCMN-OAHLLOKOSA-N 2 2 350.488 0.567 20 0 FCADLP O=C(NCC[NH+]1CCc2sccc2C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650728270 492664696 /nfs/dbraw/zinc/66/46/96/492664696.db2.gz BGXJEFKZLITCMN-OAHLLOKOSA-N 2 2 350.488 0.567 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650728270 492664700 /nfs/dbraw/zinc/66/47/00/492664700.db2.gz BGXJEFKZLITCMN-OAHLLOKOSA-N 2 2 350.488 0.567 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650728270 492664703 /nfs/dbraw/zinc/66/47/03/492664703.db2.gz BGXJEFKZLITCMN-OAHLLOKOSA-N 2 2 350.488 0.567 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N2CC[NH+](CCOCCOC)CC2)CC1 ZINC000650815655 492671288 /nfs/dbraw/zinc/67/12/88/492671288.db2.gz YYZOIHQCKPGPRW-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000629810737 492683737 /nfs/dbraw/zinc/68/37/37/492683737.db2.gz CCKWHJKQVGVATF-GOSISDBHSA-N 2 2 358.486 0.787 20 0 FCADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000629810737 492683740 /nfs/dbraw/zinc/68/37/40/492683740.db2.gz CCKWHJKQVGVATF-GOSISDBHSA-N 2 2 358.486 0.787 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636819030 492702459 /nfs/dbraw/zinc/70/24/59/492702459.db2.gz SWPJNRQFAOOHPF-APWZRJJASA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636819030 492702462 /nfs/dbraw/zinc/70/24/62/492702462.db2.gz SWPJNRQFAOOHPF-APWZRJJASA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000636819030 492702467 /nfs/dbraw/zinc/70/24/67/492702467.db2.gz SWPJNRQFAOOHPF-APWZRJJASA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000636819030 492702469 /nfs/dbraw/zinc/70/24/69/492702469.db2.gz SWPJNRQFAOOHPF-APWZRJJASA-N 2 2 366.506 0.386 20 0 FCADLP CC(C)(C)n1nnc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000657351360 492749916 /nfs/dbraw/zinc/74/99/16/492749916.db2.gz DGZCKNMFYBYCLM-UHFFFAOYSA-N 2 2 373.509 0.910 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(CNC(=O)c2ccccc2N)nn1 ZINC000630611353 492755803 /nfs/dbraw/zinc/75/58/03/492755803.db2.gz DSIQCGCOVSNSSV-UHFFFAOYSA-N 2 2 359.478 0.674 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CNC(=O)c2ccccc2N)nn1 ZINC000630611353 492755808 /nfs/dbraw/zinc/75/58/08/492755808.db2.gz DSIQCGCOVSNSSV-UHFFFAOYSA-N 2 2 359.478 0.674 20 0 FCADLP C[C@H](CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)n1cc[nH+]c1 ZINC000651460864 492761533 /nfs/dbraw/zinc/76/15/33/492761533.db2.gz ATKOEPPZGMQDEA-CABCVRRESA-N 2 2 356.492 0.802 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637092707 492765974 /nfs/dbraw/zinc/76/59/74/492765974.db2.gz KKQFUJQEIMNQRI-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637092707 492765975 /nfs/dbraw/zinc/76/59/75/492765975.db2.gz KKQFUJQEIMNQRI-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2[nH+]1 ZINC000657679992 492775978 /nfs/dbraw/zinc/77/59/78/492775978.db2.gz HNAHXEYIGREEKV-HNNXBMFYSA-N 2 2 371.441 0.762 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000644519800 492781873 /nfs/dbraw/zinc/78/18/73/492781873.db2.gz UVKKBWSZSFIJGQ-QGZVFWFLSA-N 2 2 363.483 0.917 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000644519800 492781875 /nfs/dbraw/zinc/78/18/75/492781875.db2.gz UVKKBWSZSFIJGQ-QGZVFWFLSA-N 2 2 363.483 0.917 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644556243 492784529 /nfs/dbraw/zinc/78/45/29/492784529.db2.gz AAIGHCRQEZCNIG-IAGOWNOFSA-N 2 2 358.442 0.938 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556243 492784533 /nfs/dbraw/zinc/78/45/33/492784533.db2.gz AAIGHCRQEZCNIG-IAGOWNOFSA-N 2 2 358.442 0.938 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccccc1F ZINC000644569656 492785322 /nfs/dbraw/zinc/78/53/22/492785322.db2.gz JMODVXNCCYRNEE-DLBZAZTESA-N 2 2 367.465 0.562 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657743475 492787685 /nfs/dbraw/zinc/78/76/85/492787685.db2.gz BWNRTTAENSUVML-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657743475 492787691 /nfs/dbraw/zinc/78/76/91/492787691.db2.gz BWNRTTAENSUVML-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CCS(=O)(=O)NCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631052122 492795139 /nfs/dbraw/zinc/79/51/39/492795139.db2.gz ITSMOJDLFZUGNO-UHFFFAOYSA-N 2 2 371.503 0.427 20 0 FCADLP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000631049688 492795171 /nfs/dbraw/zinc/79/51/71/492795171.db2.gz KLGLWUSOXHUPHQ-IBGZPJMESA-N 3 2 363.502 0.944 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3CC(NS(C)(=O)=O)C3)c2cc1C ZINC000644641364 492795259 /nfs/dbraw/zinc/79/52/59/492795259.db2.gz MCSIFVXIYLPETO-NRXISQOPSA-N 2 2 366.487 0.684 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CC1 ZINC000644754471 492806448 /nfs/dbraw/zinc/80/64/48/492806448.db2.gz GYINWFAOQNILBE-MRXNPFEDSA-N 2 2 371.547 0.830 20 0 FCADLP CN1C(=O)COc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc21 ZINC000625523065 492810469 /nfs/dbraw/zinc/81/04/69/492810469.db2.gz WTJNYIZDJFKIKJ-OAHLLOKOSA-N 2 2 372.469 0.940 20 0 FCADLP CN1C(=O)COc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc21 ZINC000625523065 492810472 /nfs/dbraw/zinc/81/04/72/492810472.db2.gz WTJNYIZDJFKIKJ-OAHLLOKOSA-N 2 2 372.469 0.940 20 0 FCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000657916327 492813777 /nfs/dbraw/zinc/81/37/77/492813777.db2.gz YQHODPCFJIWQIR-CVEARBPZSA-N 2 2 372.477 0.552 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000637431114 492826212 /nfs/dbraw/zinc/82/62/12/492826212.db2.gz TTYFVRUJIAZTKE-ROUUACIJSA-N 2 2 370.538 0.999 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000637431113 492826264 /nfs/dbraw/zinc/82/62/64/492826264.db2.gz TTYFVRUJIAZTKE-QZTJIDSGSA-N 2 2 370.538 0.999 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000631687007 492835159 /nfs/dbraw/zinc/83/51/59/492835159.db2.gz QOGIHJXRYKBFSG-UHFFFAOYSA-N 2 2 365.503 0.733 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000631700652 492837494 /nfs/dbraw/zinc/83/74/94/492837494.db2.gz RELVQRJTSLZZKZ-KRWDZBQOSA-N 2 2 367.515 0.901 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000631700652 492837496 /nfs/dbraw/zinc/83/74/96/492837496.db2.gz RELVQRJTSLZZKZ-KRWDZBQOSA-N 2 2 367.515 0.901 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637477410 492838641 /nfs/dbraw/zinc/83/86/41/492838641.db2.gz UASRKHZRISKHFZ-OAHLLOKOSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637477410 492838645 /nfs/dbraw/zinc/83/86/45/492838645.db2.gz UASRKHZRISKHFZ-OAHLLOKOSA-N 2 2 351.495 0.594 20 0 FCADLP Cc1ccn2cc(CNS(=O)(=O)CCCN3CC[NH+](C)CC3)[nH+]c2c1 ZINC000631783059 492852467 /nfs/dbraw/zinc/85/24/67/492852467.db2.gz HIGLOVNOUAOQJQ-UHFFFAOYSA-N 2 2 365.503 0.700 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)CC2([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000631798698 492855119 /nfs/dbraw/zinc/85/51/19/492855119.db2.gz XSDIXLMHTZKJHU-BZUAXINKSA-N 2 2 359.536 0.984 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000637681279 492858639 /nfs/dbraw/zinc/85/86/39/492858639.db2.gz KFAGQXSLJLFCJV-KRWDZBQOSA-N 2 2 365.503 0.501 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000637681279 492858641 /nfs/dbraw/zinc/85/86/41/492858641.db2.gz KFAGQXSLJLFCJV-KRWDZBQOSA-N 2 2 365.503 0.501 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000631909742 492875447 /nfs/dbraw/zinc/87/54/47/492875447.db2.gz OCIBLAGCRDBRJW-UHFFFAOYSA-N 2 2 358.533 0.794 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)CCO2 ZINC000645258395 492884595 /nfs/dbraw/zinc/88/45/95/492884595.db2.gz YNTFRFYSFWZSHB-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)NCC[N@H+]1CCOCC1(C)C)CCO2 ZINC000645258395 492884598 /nfs/dbraw/zinc/88/45/98/492884598.db2.gz YNTFRFYSFWZSHB-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645269117 492885761 /nfs/dbraw/zinc/88/57/61/492885761.db2.gz INUPRNABYVEOEU-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000631927376 492889366 /nfs/dbraw/zinc/88/93/66/492889366.db2.gz XKKSSFOMABHBRI-HZPDHXFCSA-N 2 2 360.524 0.148 20 0 FCADLP CCOC1CC(CNC(=O)NCCC2CC[NH2+]CC2)([NH+]2CCOCC2)C1 ZINC000652182775 492891649 /nfs/dbraw/zinc/89/16/49/492891649.db2.gz BQPMPLXKXOITOQ-UHFFFAOYSA-N 2 2 368.522 0.945 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000652204979 492894909 /nfs/dbraw/zinc/89/49/09/492894909.db2.gz JAOWIWHJXQFYIG-QGZVFWFLSA-N 2 2 356.511 0.884 20 0 FCADLP COc1cc(OC)cc([C@H](NC(=O)CN2CC[NH2+]CC2)c2[nH+]ccn2C)c1 ZINC000638060012 492898802 /nfs/dbraw/zinc/89/88/02/492898802.db2.gz XQVCPBRKHFTTHK-SFHVURJKSA-N 2 2 373.457 0.548 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638069149 492900091 /nfs/dbraw/zinc/90/00/91/492900091.db2.gz HZPOAEUINRCXIB-HNNXBMFYSA-N 2 2 372.391 0.986 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCOC4(CC[NH+](C)CC4)C3)[nH+]cn2)C1 ZINC000645385907 492900934 /nfs/dbraw/zinc/90/09/34/492900934.db2.gz VOWOJCIMAOAVPA-HOTGVXAUSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090322 492903317 /nfs/dbraw/zinc/90/33/17/492903317.db2.gz HZYFYCOTPKGWJY-WDEREUQCSA-N 2 2 358.393 0.201 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090322 492903319 /nfs/dbraw/zinc/90/33/19/492903319.db2.gz HZYFYCOTPKGWJY-WDEREUQCSA-N 2 2 358.393 0.201 20 0 FCADLP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000658478968 492909089 /nfs/dbraw/zinc/90/90/89/492909089.db2.gz FKTPUQXEJHILHC-UHFFFAOYSA-N 2 2 364.515 0.455 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000658494732 492912988 /nfs/dbraw/zinc/91/29/88/492912988.db2.gz GKPOSGQWQDQIQC-IBGZPJMESA-N 2 2 370.497 0.931 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000658494732 492912989 /nfs/dbraw/zinc/91/29/89/492912989.db2.gz GKPOSGQWQDQIQC-IBGZPJMESA-N 2 2 370.497 0.931 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000638133719 492914351 /nfs/dbraw/zinc/91/43/51/492914351.db2.gz XGIWTNPHZMYNOZ-YJBOKZPZSA-N 2 2 374.485 0.850 20 0 FCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000638137978 492916017 /nfs/dbraw/zinc/91/60/17/492916017.db2.gz RWFHXNZOYYTXGE-MJGOQNOKSA-N 2 2 364.465 0.831 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626027260 492916825 /nfs/dbraw/zinc/91/68/25/492916825.db2.gz QGJRNNQBPFYVPU-CEXWTWQISA-N 2 2 361.486 0.483 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626027260 492916826 /nfs/dbraw/zinc/91/68/26/492916826.db2.gz QGJRNNQBPFYVPU-CEXWTWQISA-N 2 2 361.486 0.483 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658506755 492918423 /nfs/dbraw/zinc/91/84/23/492918423.db2.gz NDFCVIMWDGLGTN-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H]1c1[nH+]ccn1C ZINC000638164901 492920287 /nfs/dbraw/zinc/92/02/87/492920287.db2.gz NBMKCGMSJHRGMK-MPGHIAIKSA-N 2 2 363.462 0.214 20 0 FCADLP [NH3+][C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000645596876 492935773 /nfs/dbraw/zinc/93/57/73/492935773.db2.gz VSHRUAHHGLXUPY-GOSISDBHSA-N 2 2 368.485 0.675 20 0 FCADLP CC[C@](C)(C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000638369437 492941131 /nfs/dbraw/zinc/94/11/31/492941131.db2.gz AMWVZDUQHHDPRU-QGZVFWFLSA-N 2 2 370.519 0.938 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000652529306 492963380 /nfs/dbraw/zinc/96/33/80/492963380.db2.gz KADNIKAGIQRRPH-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000652529306 492963382 /nfs/dbraw/zinc/96/33/82/492963382.db2.gz KADNIKAGIQRRPH-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652529306 492963384 /nfs/dbraw/zinc/96/33/84/492963384.db2.gz KADNIKAGIQRRPH-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652529306 492963387 /nfs/dbraw/zinc/96/33/87/492963387.db2.gz KADNIKAGIQRRPH-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[NH2+]1 ZINC000638641939 492970034 /nfs/dbraw/zinc/97/00/34/492970034.db2.gz FRUBFPDFTILMPH-KGLIPLIRSA-N 2 2 353.488 0.892 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652627095 492972580 /nfs/dbraw/zinc/97/25/80/492972580.db2.gz RDSHNBQEKJZNCW-XEZPLFJOSA-N 2 2 362.430 0.774 20 0 FCADLP CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638779246 492978618 /nfs/dbraw/zinc/97/86/18/492978618.db2.gz IYDWGXBMWVPHKO-ZDUSSCGKSA-N 2 2 350.419 0.134 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941210 492990282 /nfs/dbraw/zinc/99/02/82/492990282.db2.gz UGJWTDLAOKVIEH-PZJWPPBQSA-N 2 2 372.513 0.393 20 0 FCADLP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003800 492991568 /nfs/dbraw/zinc/99/15/68/492991568.db2.gz JVZUVEBMLGTYPZ-GOSISDBHSA-N 2 2 369.473 0.598 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652703155 492995561 /nfs/dbraw/zinc/99/55/61/492995561.db2.gz LXPUXYYEQQSGRP-SFHVURJKSA-N 2 2 356.470 0.408 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652703155 492995565 /nfs/dbraw/zinc/99/55/65/492995565.db2.gz LXPUXYYEQQSGRP-SFHVURJKSA-N 2 2 356.470 0.408 20 0 FCADLP O=C(CO)N1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000639144693 492998269 /nfs/dbraw/zinc/99/82/69/492998269.db2.gz FJRQYWDCSWUGKA-UHFFFAOYSA-N 2 2 363.458 0.034 20 0 FCADLP [NH3+][C@H](CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646020853 493001765 /nfs/dbraw/zinc/00/17/65/493001765.db2.gz CUYAHIFQLOHKAZ-QZTJIDSGSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736965 493013316 /nfs/dbraw/zinc/01/33/16/493013316.db2.gz VELQMDOBGXKWAE-XLIONFOSSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736965 493013317 /nfs/dbraw/zinc/01/33/17/493013317.db2.gz VELQMDOBGXKWAE-XLIONFOSSA-N 2 2 358.486 0.569 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652736649 493013706 /nfs/dbraw/zinc/01/37/06/493013706.db2.gz LHUKJBJLPAAEQF-KRWDZBQOSA-N 2 2 360.502 0.815 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652736649 493013708 /nfs/dbraw/zinc/01/37/08/493013708.db2.gz LHUKJBJLPAAEQF-KRWDZBQOSA-N 2 2 360.502 0.815 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639514599 493016002 /nfs/dbraw/zinc/01/60/02/493016002.db2.gz LWGLOCVJHDCXHX-HXUWFJFHSA-N 2 2 360.502 0.505 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639514599 493016006 /nfs/dbraw/zinc/01/60/06/493016006.db2.gz LWGLOCVJHDCXHX-HXUWFJFHSA-N 2 2 360.502 0.505 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639514595 493016653 /nfs/dbraw/zinc/01/66/53/493016653.db2.gz LWGLOCVJHDCXHX-FQEVSTJZSA-N 2 2 360.502 0.505 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639514595 493016655 /nfs/dbraw/zinc/01/66/55/493016655.db2.gz LWGLOCVJHDCXHX-FQEVSTJZSA-N 2 2 360.502 0.505 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530506 493017726 /nfs/dbraw/zinc/01/77/26/493017726.db2.gz AMKAKINBKTVSIG-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530506 493017730 /nfs/dbraw/zinc/01/77/30/493017730.db2.gz AMKAKINBKTVSIG-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639530506 493017732 /nfs/dbraw/zinc/01/77/32/493017732.db2.gz AMKAKINBKTVSIG-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639530506 493017735 /nfs/dbraw/zinc/01/77/35/493017735.db2.gz AMKAKINBKTVSIG-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559144 493020290 /nfs/dbraw/zinc/02/02/90/493020290.db2.gz OFUKCWAMDVGJQF-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559144 493020293 /nfs/dbraw/zinc/02/02/93/493020293.db2.gz OFUKCWAMDVGJQF-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639559144 493020296 /nfs/dbraw/zinc/02/02/96/493020296.db2.gz OFUKCWAMDVGJQF-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639559144 493020297 /nfs/dbraw/zinc/02/02/97/493020297.db2.gz OFUKCWAMDVGJQF-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nnn1C1CC[NH2+]CC1 ZINC000646265254 493033413 /nfs/dbraw/zinc/03/34/13/493033413.db2.gz QEGXPOOSQPGUFS-CQSZACIVSA-N 2 2 355.446 0.915 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000632586880 493036946 /nfs/dbraw/zinc/03/69/46/493036946.db2.gz XNVDQCAABHGLAM-UHFFFAOYSA-N 2 2 351.451 0.185 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000626922249 493063701 /nfs/dbraw/zinc/06/37/01/493063701.db2.gz SILCOZFRTQLQIQ-CABCVRRESA-N 2 2 367.519 0.324 20 0 FCADLP COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653063413 493065682 /nfs/dbraw/zinc/06/56/82/493065682.db2.gz GROONGVPOSPMJS-CYBMUJFWSA-N 2 2 370.475 0.353 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000653069943 493066207 /nfs/dbraw/zinc/06/62/07/493066207.db2.gz CYQBBIFYPDHVOK-KRWDZBQOSA-N 2 2 364.465 0.960 20 0 FCADLP COCCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1Cl ZINC000653074461 493067179 /nfs/dbraw/zinc/06/71/79/493067179.db2.gz IKQAUALQGDPBHY-CQSZACIVSA-N 2 2 356.854 0.934 20 0 FCADLP CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653078187 493067224 /nfs/dbraw/zinc/06/72/24/493067224.db2.gz YQQQJQJFFKTEOU-INIZCTEOSA-N 2 2 370.519 0.611 20 0 FCADLP Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653083280 493068813 /nfs/dbraw/zinc/06/88/13/493068813.db2.gz UAKTYOURBMHFRP-KRWDZBQOSA-N 2 2 362.474 0.324 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000626946583 493069426 /nfs/dbraw/zinc/06/94/26/493069426.db2.gz TXOOOVWRMGIGNA-WBVHZDCISA-N 2 2 356.536 0.834 20 0 FCADLP COC[C@](C)(CO)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000639950618 493070581 /nfs/dbraw/zinc/07/05/81/493070581.db2.gz BQTNFTNOPOEBKY-IBGZPJMESA-N 2 2 365.474 0.122 20 0 FCADLP COc1ccc(F)cc1CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653106107 493070926 /nfs/dbraw/zinc/07/09/26/493070926.db2.gz UMDTZBBZCKNOSL-MRXNPFEDSA-N 2 2 352.454 0.758 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000653112199 493071897 /nfs/dbraw/zinc/07/18/97/493071897.db2.gz PUAJZDBNGAANGA-KRWDZBQOSA-N 3 2 361.490 0.221 20 0 FCADLP C[NH+](C)CC[C@@H](N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000653113846 493072416 /nfs/dbraw/zinc/07/24/16/493072416.db2.gz PJSQPFYYWDGVSG-GOSISDBHSA-N 2 2 364.490 0.293 20 0 FCADLP CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116296 493072926 /nfs/dbraw/zinc/07/29/26/493072926.db2.gz BCNRIIUKWUEJLN-NSHDSACASA-N 2 2 372.267 0.520 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000653117783 493074308 /nfs/dbraw/zinc/07/43/08/493074308.db2.gz VSHDMDUIQXZVCM-QGZVFWFLSA-N 2 2 367.538 0.106 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000653123990 493074798 /nfs/dbraw/zinc/07/47/98/493074798.db2.gz NJWXSQGDYYIDAZ-HNNXBMFYSA-N 3 2 355.527 0.008 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000653154719 493079238 /nfs/dbraw/zinc/07/92/38/493079238.db2.gz ZBPFWIIWJNQGMI-ZIAGYGMSSA-N 2 2 372.391 0.984 20 0 FCADLP CSc1ccc(OC[C@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640051539 493081466 /nfs/dbraw/zinc/08/14/66/493081466.db2.gz QEYRDDKGEWQFHZ-OAHLLOKOSA-N 2 2 367.515 0.854 20 0 FCADLP CSc1ccc(OC[C@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640051539 493081467 /nfs/dbraw/zinc/08/14/67/493081467.db2.gz QEYRDDKGEWQFHZ-OAHLLOKOSA-N 2 2 367.515 0.854 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000627119315 493090502 /nfs/dbraw/zinc/09/05/02/493090502.db2.gz MBWUZXMIJLAXTQ-IJEWVQPXSA-N 2 2 362.478 0.721 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126137 493091900 /nfs/dbraw/zinc/09/19/00/493091900.db2.gz BPFQMQFJEHUHEZ-DLBZAZTESA-N 2 2 359.474 0.866 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126137 493091903 /nfs/dbraw/zinc/09/19/03/493091903.db2.gz BPFQMQFJEHUHEZ-DLBZAZTESA-N 2 2 359.474 0.866 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@H](Cc2ccccc2)C1 ZINC000653350418 493096764 /nfs/dbraw/zinc/09/67/64/493096764.db2.gz UAUIBVUFRXEMMF-GOSISDBHSA-N 2 2 369.469 0.775 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@H](Cc2ccccc2)C1 ZINC000653350418 493096767 /nfs/dbraw/zinc/09/67/67/493096767.db2.gz UAUIBVUFRXEMMF-GOSISDBHSA-N 2 2 369.469 0.775 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000632937744 493097496 /nfs/dbraw/zinc/09/74/96/493097496.db2.gz KUIRFBPMMJCWES-IRXDYDNUSA-N 2 2 357.458 0.929 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NCC1([NH3+])CCC1 ZINC000640451174 493106955 /nfs/dbraw/zinc/10/69/55/493106955.db2.gz AWNGPDJYPYACLI-GJZGRUSLSA-N 2 2 352.458 0.855 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NCC1([NH3+])CCC1 ZINC000640451174 493106959 /nfs/dbraw/zinc/10/69/59/493106959.db2.gz AWNGPDJYPYACLI-GJZGRUSLSA-N 2 2 352.458 0.855 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000633035927 493107794 /nfs/dbraw/zinc/10/77/94/493107794.db2.gz HAXRQWYADKRXEA-LZWOXQAQSA-N 2 2 360.458 0.966 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)[C@H](C[NH3+])C1 ZINC000646835547 493109645 /nfs/dbraw/zinc/10/96/45/493109645.db2.gz BUCRJCVTEPFZOM-VQBCORBOSA-N 2 2 362.518 0.810 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)[C@H](C[NH3+])C1 ZINC000646835547 493109651 /nfs/dbraw/zinc/10/96/51/493109651.db2.gz BUCRJCVTEPFZOM-VQBCORBOSA-N 2 2 362.518 0.810 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653382094 493110448 /nfs/dbraw/zinc/11/04/48/493110448.db2.gz BNCUKQAIRGKHGA-GOSISDBHSA-N 2 2 358.486 0.582 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653382094 493110454 /nfs/dbraw/zinc/11/04/54/493110454.db2.gz BNCUKQAIRGKHGA-GOSISDBHSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653382094 493110455 /nfs/dbraw/zinc/11/04/55/493110455.db2.gz BNCUKQAIRGKHGA-GOSISDBHSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653382094 493110460 /nfs/dbraw/zinc/11/04/60/493110460.db2.gz BNCUKQAIRGKHGA-GOSISDBHSA-N 2 2 358.486 0.582 20 0 FCADLP C[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000646845767 493111227 /nfs/dbraw/zinc/11/12/27/493111227.db2.gz MDJGDXWKBKMMLZ-HDMKZQKVSA-N 2 2 364.465 0.911 20 0 FCADLP C[C@@H]1CCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H]1n1cc[nH+]c1 ZINC000627230155 493111643 /nfs/dbraw/zinc/11/16/43/493111643.db2.gz GBEOZXOUBVZBHX-BMFZPTHFSA-N 2 2 358.450 0.802 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653389208 493114184 /nfs/dbraw/zinc/11/41/84/493114184.db2.gz WQPDKXRPFYKWQH-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653389208 493114186 /nfs/dbraw/zinc/11/41/86/493114186.db2.gz WQPDKXRPFYKWQH-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653389208 493114188 /nfs/dbraw/zinc/11/41/88/493114188.db2.gz WQPDKXRPFYKWQH-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)C1CC1 ZINC000653389208 493114189 /nfs/dbraw/zinc/11/41/89/493114189.db2.gz WQPDKXRPFYKWQH-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390216 493115024 /nfs/dbraw/zinc/11/50/24/493115024.db2.gz VDZVVSPRKDTIEP-LPHOPBHVSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390216 493115026 /nfs/dbraw/zinc/11/50/26/493115026.db2.gz VDZVVSPRKDTIEP-LPHOPBHVSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000653390216 493115029 /nfs/dbraw/zinc/11/50/29/493115029.db2.gz VDZVVSPRKDTIEP-LPHOPBHVSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000653390216 493115031 /nfs/dbraw/zinc/11/50/31/493115031.db2.gz VDZVVSPRKDTIEP-LPHOPBHVSA-N 2 2 372.513 0.971 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640562171 493117034 /nfs/dbraw/zinc/11/70/34/493117034.db2.gz GIAFSHRMXKSNPU-HNNXBMFYSA-N 2 2 351.451 0.300 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640601194 493119543 /nfs/dbraw/zinc/11/95/43/493119543.db2.gz YSUDFIXXTJDOMR-UHFFFAOYSA-N 2 2 351.451 0.959 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]([N@@H+]3CC[C@H](O)C3)C1)n2C ZINC000627258581 493121245 /nfs/dbraw/zinc/12/12/45/493121245.db2.gz CUCJOLWLRBSOPZ-STQMWFEESA-N 2 2 358.446 0.315 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]([N@H+]3CC[C@H](O)C3)C1)n2C ZINC000627258581 493121248 /nfs/dbraw/zinc/12/12/48/493121248.db2.gz CUCJOLWLRBSOPZ-STQMWFEESA-N 2 2 358.446 0.315 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@@H+]1C1CC1 ZINC000633099815 493125268 /nfs/dbraw/zinc/12/52/68/493125268.db2.gz LVUJCBDKWFPGGR-RDJZCZTQSA-N 2 2 358.490 0.972 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@H+]1C1CC1 ZINC000633099815 493125271 /nfs/dbraw/zinc/12/52/71/493125271.db2.gz LVUJCBDKWFPGGR-RDJZCZTQSA-N 2 2 358.490 0.972 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000633115501 493132627 /nfs/dbraw/zinc/13/26/27/493132627.db2.gz LDTDKXKPUVPOOM-HOTGVXAUSA-N 2 2 360.458 0.158 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000633116489 493132770 /nfs/dbraw/zinc/13/27/70/493132770.db2.gz UNDUCTAYANNVLR-HLLBOEOZSA-N 2 2 374.485 0.849 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000640830634 493133163 /nfs/dbraw/zinc/13/31/63/493133163.db2.gz MKIHVKZCLOFNIX-AWEZNQCLSA-N 2 2 352.508 0.552 20 0 FCADLP Cc1[nH+]c2ccccc2n1Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640836915 493134667 /nfs/dbraw/zinc/13/46/67/493134667.db2.gz GSUPMXDPENVBJA-UHFFFAOYSA-N 2 2 353.430 0.759 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974544 493137663 /nfs/dbraw/zinc/13/76/63/493137663.db2.gz SNKBMBOVJSYTLO-DLBZAZTESA-N 2 2 364.490 0.053 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974544 493137668 /nfs/dbraw/zinc/13/76/68/493137668.db2.gz SNKBMBOVJSYTLO-DLBZAZTESA-N 2 2 364.490 0.053 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653443948 493141818 /nfs/dbraw/zinc/14/18/18/493141818.db2.gz BOZLHEZXNFQBKC-VQHPVUNQSA-N 2 2 364.490 0.049 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653443948 493141822 /nfs/dbraw/zinc/14/18/22/493141822.db2.gz BOZLHEZXNFQBKC-VQHPVUNQSA-N 2 2 364.490 0.049 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+](C)C1 ZINC000646990555 493143002 /nfs/dbraw/zinc/14/30/02/493143002.db2.gz PLZOHOCDHZDDDK-INIZCTEOSA-N 2 2 361.490 0.821 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](C)C1 ZINC000646990555 493143004 /nfs/dbraw/zinc/14/30/04/493143004.db2.gz PLZOHOCDHZDDDK-INIZCTEOSA-N 2 2 361.490 0.821 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000627303640 493143444 /nfs/dbraw/zinc/14/34/44/493143444.db2.gz XZYAHVDHDUGBPJ-OAHLLOKOSA-N 2 2 364.515 0.679 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000627303640 493143448 /nfs/dbraw/zinc/14/34/48/493143448.db2.gz XZYAHVDHDUGBPJ-OAHLLOKOSA-N 2 2 364.515 0.679 20 0 FCADLP CC[C@@H]([NH3+])c1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000640875670 493143644 /nfs/dbraw/zinc/14/36/44/493143644.db2.gz VVMRYQJVPWGRGE-QGZVFWFLSA-N 2 2 372.473 0.837 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000627310164 493144749 /nfs/dbraw/zinc/14/47/49/493144749.db2.gz KEUVWESCHNLQCC-KGLIPLIRSA-N 2 2 361.833 0.757 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000659094314 493148984 /nfs/dbraw/zinc/14/89/84/493148984.db2.gz JGZQDBRKEWJAQW-UONOGXRCSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000659094314 493148988 /nfs/dbraw/zinc/14/89/88/493148988.db2.gz JGZQDBRKEWJAQW-UONOGXRCSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000659095115 493150135 /nfs/dbraw/zinc/15/01/35/493150135.db2.gz YEOJDTYUVLFOMC-UONOGXRCSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000659095115 493150140 /nfs/dbraw/zinc/15/01/40/493150140.db2.gz YEOJDTYUVLFOMC-UONOGXRCSA-N 2 2 360.458 0.496 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000647101171 493164092 /nfs/dbraw/zinc/16/40/92/493164092.db2.gz ISTPBMFHCZGYEI-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000647101171 493164095 /nfs/dbraw/zinc/16/40/95/493164095.db2.gz ISTPBMFHCZGYEI-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP C[NH+]1CCN(Cc2cn(Cc3cccc(C[NH+]4CCOCC4)c3)nn2)CC1 ZINC000641181090 493177074 /nfs/dbraw/zinc/17/70/74/493177074.db2.gz RKLQJSQWLBZJEQ-UHFFFAOYSA-N 2 2 370.501 0.906 20 0 FCADLP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000641223995 493186025 /nfs/dbraw/zinc/18/60/25/493186025.db2.gz WOZDOZUKTIXDJQ-IBGZPJMESA-N 2 2 358.490 0.913 20 0 FCADLP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000641223995 493186032 /nfs/dbraw/zinc/18/60/32/493186032.db2.gz WOZDOZUKTIXDJQ-IBGZPJMESA-N 2 2 358.490 0.913 20 0 FCADLP Cc1cccn2cc(CCNC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)[nH+]c12 ZINC000659465931 493187361 /nfs/dbraw/zinc/18/73/61/493187361.db2.gz ZJGQGYJDKCBIPB-UHFFFAOYSA-N 2 2 355.402 0.639 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000654012962 493202332 /nfs/dbraw/zinc/20/23/32/493202332.db2.gz MKHMXKMJJBEAPU-CZUORRHYSA-N 2 2 374.449 0.320 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672638049 493220399 /nfs/dbraw/zinc/22/03/99/493220399.db2.gz QPEOTMPIUPUETP-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672638049 493220400 /nfs/dbraw/zinc/22/04/00/493220400.db2.gz QPEOTMPIUPUETP-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000672636641 493220560 /nfs/dbraw/zinc/22/05/60/493220560.db2.gz VPDXXGDPBVYQRV-KRWDZBQOSA-N 2 2 374.489 0.028 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000672636641 493220562 /nfs/dbraw/zinc/22/05/62/493220562.db2.gz VPDXXGDPBVYQRV-KRWDZBQOSA-N 2 2 374.489 0.028 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCCCO)C3CC3)C2)CC1 ZINC000672637461 493220786 /nfs/dbraw/zinc/22/07/86/493220786.db2.gz HUFOLIUKIMVAPQ-HNNXBMFYSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCCCO)C3CC3)C2)CC1 ZINC000672637461 493220788 /nfs/dbraw/zinc/22/07/88/493220788.db2.gz HUFOLIUKIMVAPQ-HNNXBMFYSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000666758692 493223359 /nfs/dbraw/zinc/22/33/59/493223359.db2.gz ZOOUTKRILFHTMX-IRXDYDNUSA-N 2 2 356.511 0.441 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3c3ccc[nH]3)C2)CC1 ZINC000672641213 493223559 /nfs/dbraw/zinc/22/35/59/493223559.db2.gz NNPRQYULRYDNNK-QAPCUYQASA-N 2 2 373.501 0.963 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3c3ccc[nH]3)C2)CC1 ZINC000672641213 493223562 /nfs/dbraw/zinc/22/35/62/493223562.db2.gz NNPRQYULRYDNNK-QAPCUYQASA-N 2 2 373.501 0.963 20 0 FCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640766 493223612 /nfs/dbraw/zinc/22/36/12/493223612.db2.gz ZNECWNDOCLEBNL-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640766 493223615 /nfs/dbraw/zinc/22/36/15/493223615.db2.gz ZNECWNDOCLEBNL-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641263 493223709 /nfs/dbraw/zinc/22/37/09/493223709.db2.gz OXKVHXWHVWEZQO-DOTOQJQBSA-N 2 2 373.501 0.414 20 0 FCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641263 493223712 /nfs/dbraw/zinc/22/37/12/493223712.db2.gz OXKVHXWHVWEZQO-DOTOQJQBSA-N 2 2 373.501 0.414 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000672642501 493226567 /nfs/dbraw/zinc/22/65/67/493226567.db2.gz MIMJRJMRTVYEAE-SFHVURJKSA-N 2 2 370.497 0.856 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000672642501 493226569 /nfs/dbraw/zinc/22/65/69/493226569.db2.gz MIMJRJMRTVYEAE-SFHVURJKSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641976 493226678 /nfs/dbraw/zinc/22/66/78/493226678.db2.gz VEYXTKXHVDRJBX-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641976 493226683 /nfs/dbraw/zinc/22/66/83/493226683.db2.gz VEYXTKXHVDRJBX-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643390 493228335 /nfs/dbraw/zinc/22/83/35/493228335.db2.gz WXAIYSWHLPYICJ-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643390 493228337 /nfs/dbraw/zinc/22/83/37/493228337.db2.gz WXAIYSWHLPYICJ-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643175 493228453 /nfs/dbraw/zinc/22/84/53/493228453.db2.gz SKPMTMMECJKLMM-MRXNPFEDSA-N 3 2 367.538 0.070 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643175 493228455 /nfs/dbraw/zinc/22/84/55/493228455.db2.gz SKPMTMMECJKLMM-MRXNPFEDSA-N 3 2 367.538 0.070 20 0 FCADLP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000666902419 493236469 /nfs/dbraw/zinc/23/64/69/493236469.db2.gz PZFCEQFGWCNKJJ-SJORKVTESA-N 2 2 360.458 0.843 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672727009 493241063 /nfs/dbraw/zinc/24/10/63/493241063.db2.gz UVPPNGQVEXYREJ-UHFFFAOYSA-N 2 2 369.554 0.502 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672727009 493241066 /nfs/dbraw/zinc/24/10/66/493241066.db2.gz UVPPNGQVEXYREJ-UHFFFAOYSA-N 2 2 369.554 0.502 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)[nH+]c12 ZINC000672764425 493246766 /nfs/dbraw/zinc/24/67/66/493246766.db2.gz NATLFPKEEBZKDY-INIZCTEOSA-N 2 2 357.458 0.854 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)NC[C@H](C)[NH3+])CC2)cc(OC)c1OC ZINC000641506335 493247502 /nfs/dbraw/zinc/24/75/02/493247502.db2.gz RQDMYGNLSKNFRU-ZDUSSCGKSA-N 2 2 366.462 0.887 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c12 ZINC000672766681 493247676 /nfs/dbraw/zinc/24/76/76/493247676.db2.gz VBJGBYJNYGWNJH-RDJZCZTQSA-N 2 2 369.469 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)[nH+]c12 ZINC000672766681 493247680 /nfs/dbraw/zinc/24/76/80/493247680.db2.gz VBJGBYJNYGWNJH-RDJZCZTQSA-N 2 2 369.469 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)[nH+]c12 ZINC000672766680 493247842 /nfs/dbraw/zinc/24/78/42/493247842.db2.gz VBJGBYJNYGWNJH-NVXWUHKLSA-N 2 2 369.469 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)[nH+]c12 ZINC000672766680 493247844 /nfs/dbraw/zinc/24/78/44/493247844.db2.gz VBJGBYJNYGWNJH-NVXWUHKLSA-N 2 2 369.469 0.854 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791714 493250894 /nfs/dbraw/zinc/25/08/94/493250894.db2.gz OPJSEQIVAQWGNZ-WMLDXEAASA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791714 493250895 /nfs/dbraw/zinc/25/08/95/493250895.db2.gz OPJSEQIVAQWGNZ-WMLDXEAASA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000681948502 493256461 /nfs/dbraw/zinc/25/64/61/493256461.db2.gz BBNVFBRLWCSISH-MRXNPFEDSA-N 2 2 369.554 0.499 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@H+]1CC(C)(C)O ZINC000681948502 493256462 /nfs/dbraw/zinc/25/64/62/493256462.db2.gz BBNVFBRLWCSISH-MRXNPFEDSA-N 2 2 369.554 0.499 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000659698745 493260339 /nfs/dbraw/zinc/26/03/39/493260339.db2.gz JHCHSWRYYQTVMP-UHFFFAOYSA-N 2 2 373.501 0.313 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)ccc2n1C ZINC000682065983 493267592 /nfs/dbraw/zinc/26/75/92/493267592.db2.gz XSAAVEAROZGQNV-UHFFFAOYSA-N 2 2 373.457 0.735 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)ccc2n1C ZINC000682065983 493267593 /nfs/dbraw/zinc/26/75/93/493267593.db2.gz XSAAVEAROZGQNV-UHFFFAOYSA-N 2 2 373.457 0.735 20 0 FCADLP Cc1cc(O)cc(=O)n1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682159158 493273153 /nfs/dbraw/zinc/27/31/53/493273153.db2.gz MAYWTPOOKOCVTF-HNNXBMFYSA-N 2 2 362.474 0.537 20 0 FCADLP Cc1cc(O)cc(=O)n1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682159158 493273157 /nfs/dbraw/zinc/27/31/57/493273157.db2.gz MAYWTPOOKOCVTF-HNNXBMFYSA-N 2 2 362.474 0.537 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000641666699 493273801 /nfs/dbraw/zinc/27/38/01/493273801.db2.gz ITYMOJULFVIGCS-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000641666699 493273806 /nfs/dbraw/zinc/27/38/06/493273806.db2.gz ITYMOJULFVIGCS-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP CC(C)n1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269264 493283704 /nfs/dbraw/zinc/28/37/04/493283704.db2.gz IOQTUMPJUCDPNY-AWEZNQCLSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269264 493283706 /nfs/dbraw/zinc/28/37/06/493283706.db2.gz IOQTUMPJUCDPNY-AWEZNQCLSA-N 2 2 362.478 0.687 20 0 FCADLP Cc1cnc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682271217 493284878 /nfs/dbraw/zinc/28/48/78/493284878.db2.gz YOTHKTNEASLZRG-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1cnc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682271217 493284882 /nfs/dbraw/zinc/28/48/82/493284882.db2.gz YOTHKTNEASLZRG-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673149568 493295799 /nfs/dbraw/zinc/29/57/99/493295799.db2.gz NPKNZTOHYMZKNZ-HNNXBMFYSA-N 2 2 351.451 0.131 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673149568 493295802 /nfs/dbraw/zinc/29/58/02/493295802.db2.gz NPKNZTOHYMZKNZ-HNNXBMFYSA-N 2 2 351.451 0.131 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000667712834 493298008 /nfs/dbraw/zinc/29/80/08/493298008.db2.gz QMFJPGINLKUNAT-ZIAGYGMSSA-N 2 2 365.437 0.868 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000659898002 493299475 /nfs/dbraw/zinc/29/94/75/493299475.db2.gz SAXLGZFNROSIBS-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000659898002 493299476 /nfs/dbraw/zinc/29/94/76/493299476.db2.gz SAXLGZFNROSIBS-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282542 493311388 /nfs/dbraw/zinc/31/13/88/493311388.db2.gz FNTPSNXHJHGQQU-GDBMZVCRSA-N 2 2 353.426 0.617 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282542 493311390 /nfs/dbraw/zinc/31/13/90/493311390.db2.gz FNTPSNXHJHGQQU-GDBMZVCRSA-N 2 2 353.426 0.617 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287889 493313540 /nfs/dbraw/zinc/31/35/40/493313540.db2.gz GPBGRJUOIAUGJJ-BVGQSLNGSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673287889 493313543 /nfs/dbraw/zinc/31/35/43/493313543.db2.gz GPBGRJUOIAUGJJ-BVGQSLNGSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287889 493313546 /nfs/dbraw/zinc/31/35/46/493313546.db2.gz GPBGRJUOIAUGJJ-BVGQSLNGSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287889 493313549 /nfs/dbraw/zinc/31/35/49/493313549.db2.gz GPBGRJUOIAUGJJ-BVGQSLNGSA-N 2 2 356.470 0.888 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000673301642 493314724 /nfs/dbraw/zinc/31/47/24/493314724.db2.gz LWUGHUROQJLCGJ-HRCADAONSA-N 2 2 359.474 0.718 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000673301642 493314726 /nfs/dbraw/zinc/31/47/26/493314726.db2.gz LWUGHUROQJLCGJ-HRCADAONSA-N 2 2 359.474 0.718 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673301254 493314801 /nfs/dbraw/zinc/31/48/01/493314801.db2.gz IQIBHUQSXNFVEF-INIZCTEOSA-N 2 2 361.490 0.823 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868634 493323841 /nfs/dbraw/zinc/32/38/41/493323841.db2.gz MEKFODBRSRUCOR-WBVHZDCISA-N 2 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868634 493323844 /nfs/dbraw/zinc/32/38/44/493323844.db2.gz MEKFODBRSRUCOR-WBVHZDCISA-N 2 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868632 493324125 /nfs/dbraw/zinc/32/41/25/493324125.db2.gz MEKFODBRSRUCOR-NVXWUHKLSA-N 2 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868632 493324127 /nfs/dbraw/zinc/32/41/27/493324127.db2.gz MEKFODBRSRUCOR-NVXWUHKLSA-N 2 2 363.506 0.561 20 0 FCADLP C[NH+](C)C1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000673871839 493370153 /nfs/dbraw/zinc/37/01/53/493370153.db2.gz CEXTWAGROYXMSE-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000660707716 493374693 /nfs/dbraw/zinc/37/46/93/493374693.db2.gz RIGGJZXPFURNMS-ZOBUZTSGSA-N 2 2 354.495 0.648 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668549024 493374768 /nfs/dbraw/zinc/37/47/68/493374768.db2.gz SCULMDVYEHTZNP-OAHLLOKOSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000668549024 493374773 /nfs/dbraw/zinc/37/47/73/493374773.db2.gz SCULMDVYEHTZNP-OAHLLOKOSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000668586133 493380864 /nfs/dbraw/zinc/38/08/64/493380864.db2.gz HDHLAALZYLKCAD-HUUCEWRRSA-N 2 2 368.503 0.799 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668652028 493391763 /nfs/dbraw/zinc/39/17/63/493391763.db2.gz RDWIETATVXVVTE-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668652028 493391765 /nfs/dbraw/zinc/39/17/65/493391765.db2.gz RDWIETATVXVVTE-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000668672077 493394607 /nfs/dbraw/zinc/39/46/07/493394607.db2.gz GHZSZRAIYUSUEN-HZPDHXFCSA-N 2 2 359.474 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000668672077 493394608 /nfs/dbraw/zinc/39/46/08/493394608.db2.gz GHZSZRAIYUSUEN-HZPDHXFCSA-N 2 2 359.474 0.680 20 0 FCADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)n1cnc2c1ncnc2N ZINC000668687010 493397569 /nfs/dbraw/zinc/39/75/69/493397569.db2.gz DLRCIBXWGMCCSR-CYBMUJFWSA-N 2 2 374.493 0.454 20 0 FCADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)n1cnc2c1ncnc2N ZINC000668687010 493397572 /nfs/dbraw/zinc/39/75/72/493397572.db2.gz DLRCIBXWGMCCSR-CYBMUJFWSA-N 2 2 374.493 0.454 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000674263387 493403890 /nfs/dbraw/zinc/40/38/90/493403890.db2.gz HHTDQRIYAGPDIP-ZDUSSCGKSA-N 2 2 354.476 0.511 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596482 493449513 /nfs/dbraw/zinc/44/95/13/493449513.db2.gz JCGFEEHBJXCBCO-IKGGRYGDSA-N 2 2 371.485 0.719 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596482 493449517 /nfs/dbraw/zinc/44/95/17/493449517.db2.gz JCGFEEHBJXCBCO-IKGGRYGDSA-N 2 2 371.485 0.719 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596580 493449880 /nfs/dbraw/zinc/44/98/80/493449880.db2.gz DTCODCAPJHFDHJ-RDJZCZTQSA-N 2 2 360.458 0.524 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596580 493449882 /nfs/dbraw/zinc/44/98/82/493449882.db2.gz DTCODCAPJHFDHJ-RDJZCZTQSA-N 2 2 360.458 0.524 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618402 493453174 /nfs/dbraw/zinc/45/31/74/493453174.db2.gz AUMJLHCZGGERKM-FUHWJXTLSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618402 493453178 /nfs/dbraw/zinc/45/31/78/493453178.db2.gz AUMJLHCZGGERKM-FUHWJXTLSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000661773136 493465048 /nfs/dbraw/zinc/46/50/48/493465048.db2.gz FKEIQSGRYJFYHK-QFBILLFUSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000661773136 493465052 /nfs/dbraw/zinc/46/50/52/493465052.db2.gz FKEIQSGRYJFYHK-QFBILLFUSA-N 2 2 361.486 0.980 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC(=O)N(C)CC3)CC2)c1 ZINC000661809292 493466179 /nfs/dbraw/zinc/46/61/79/493466179.db2.gz MTELRGQZDJYSRU-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC(=O)N(C)CC3)CC2)c1 ZINC000661809292 493466180 /nfs/dbraw/zinc/46/61/80/493466180.db2.gz MTELRGQZDJYSRU-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000685276302 493471274 /nfs/dbraw/zinc/47/12/74/493471274.db2.gz WZNZTMJJZVGMPO-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000685276302 493471277 /nfs/dbraw/zinc/47/12/77/493471277.db2.gz WZNZTMJJZVGMPO-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276302 493471278 /nfs/dbraw/zinc/47/12/78/493471278.db2.gz WZNZTMJJZVGMPO-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276302 493471281 /nfs/dbraw/zinc/47/12/81/493471281.db2.gz WZNZTMJJZVGMPO-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301323 493473226 /nfs/dbraw/zinc/47/32/26/493473226.db2.gz FWMCRZVSMXVHMV-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301323 493473228 /nfs/dbraw/zinc/47/32/28/493473228.db2.gz FWMCRZVSMXVHMV-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301323 493473230 /nfs/dbraw/zinc/47/32/30/493473230.db2.gz FWMCRZVSMXVHMV-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301323 493473231 /nfs/dbraw/zinc/47/32/31/493473231.db2.gz FWMCRZVSMXVHMV-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199557 493476001 /nfs/dbraw/zinc/47/60/01/493476001.db2.gz ZGDJUVRMNSWXSX-CABCVRRESA-N 2 2 359.474 0.766 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199557 493476003 /nfs/dbraw/zinc/47/60/03/493476003.db2.gz ZGDJUVRMNSWXSX-CABCVRRESA-N 2 2 359.474 0.766 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000675418358 493480519 /nfs/dbraw/zinc/48/05/19/493480519.db2.gz ZLNNDWLDYJQYIK-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000675418358 493480523 /nfs/dbraw/zinc/48/05/23/493480523.db2.gz ZLNNDWLDYJQYIK-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000662051540 493486784 /nfs/dbraw/zinc/48/67/84/493486784.db2.gz BCSQBNPYUBPZLP-KRWDZBQOSA-N 2 2 374.485 0.868 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CN2CCCC2=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000662051540 493486785 /nfs/dbraw/zinc/48/67/85/493486785.db2.gz BCSQBNPYUBPZLP-KRWDZBQOSA-N 2 2 374.485 0.868 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000662286527 493502756 /nfs/dbraw/zinc/50/27/56/493502756.db2.gz JMGHWZDPGUKFJE-UHFFFAOYSA-N 3 2 360.502 0.603 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC4CC3(C[NH3+])C4)CC2)cc1 ZINC000662304151 493505369 /nfs/dbraw/zinc/50/53/69/493505369.db2.gz JWEOOUZDFLRNFE-UHFFFAOYSA-N 2 2 358.486 0.763 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000669479438 493506251 /nfs/dbraw/zinc/50/62/51/493506251.db2.gz FHMNFXMHIDATCF-KRWDZBQOSA-N 2 2 365.522 0.844 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000675885862 493510667 /nfs/dbraw/zinc/51/06/67/493510667.db2.gz JBYFTQQZHPQMNK-SJLPKXTDSA-N 2 2 371.489 0.719 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685790284 493515664 /nfs/dbraw/zinc/51/56/64/493515664.db2.gz NUNDCYHJVPCOBO-BMFZPTHFSA-N 2 2 365.478 0.318 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685790284 493515666 /nfs/dbraw/zinc/51/56/66/493515666.db2.gz NUNDCYHJVPCOBO-BMFZPTHFSA-N 2 2 365.478 0.318 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000662481514 493519718 /nfs/dbraw/zinc/51/97/18/493519718.db2.gz HVKLORFJZAFPHT-RHSMWYFYSA-N 2 2 362.478 0.385 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000662481513 493519881 /nfs/dbraw/zinc/51/98/81/493519881.db2.gz HVKLORFJZAFPHT-PBHICJAKSA-N 2 2 362.478 0.385 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCOC4(CCOCC4)C3)C2)CC1 ZINC000676047087 493520743 /nfs/dbraw/zinc/52/07/43/493520743.db2.gz IERHSANMPJKGMF-MRXNPFEDSA-N 2 2 366.506 0.746 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCOC4(CCOCC4)C3)C2)CC1 ZINC000676047087 493520746 /nfs/dbraw/zinc/52/07/46/493520746.db2.gz IERHSANMPJKGMF-MRXNPFEDSA-N 2 2 366.506 0.746 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662525951 493523563 /nfs/dbraw/zinc/52/35/63/493523563.db2.gz MVDCHKOYIFZOMU-GOSISDBHSA-N 2 2 358.486 0.959 20 0 FCADLP Cc1c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662584401 493527136 /nfs/dbraw/zinc/52/71/36/493527136.db2.gz OQULHFMONANTSE-XPCVCDNBSA-N 2 2 350.467 0.348 20 0 FCADLP Cc1c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662584401 493527138 /nfs/dbraw/zinc/52/71/38/493527138.db2.gz OQULHFMONANTSE-XPCVCDNBSA-N 2 2 350.467 0.348 20 0 FCADLP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000662664170 493530406 /nfs/dbraw/zinc/53/04/06/493530406.db2.gz SLPARWGHMAKQCL-MRXNPFEDSA-N 2 2 368.503 0.949 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676252700 493535678 /nfs/dbraw/zinc/53/56/78/493535678.db2.gz RWUDPSYOTFGWQC-HOCLYGCPSA-N 2 2 363.462 0.641 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676252700 493535680 /nfs/dbraw/zinc/53/56/80/493535680.db2.gz RWUDPSYOTFGWQC-HOCLYGCPSA-N 2 2 363.462 0.641 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc(OC)c1 ZINC000662751586 493538025 /nfs/dbraw/zinc/53/80/25/493538025.db2.gz LPQYGCOTPDIWPV-QZTJIDSGSA-N 2 2 363.458 0.712 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000662867637 493548222 /nfs/dbraw/zinc/54/82/22/493548222.db2.gz GYHWMSJHPVXPSM-IAGOWNOFSA-N 2 2 364.465 0.844 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000662867637 493548223 /nfs/dbraw/zinc/54/82/23/493548223.db2.gz GYHWMSJHPVXPSM-IAGOWNOFSA-N 2 2 364.465 0.844 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)cc[nH+]1 ZINC000662982969 493563747 /nfs/dbraw/zinc/56/37/47/493563747.db2.gz GYZSNMBXCGBHSO-HIFRSBDPSA-N 2 2 360.462 0.019 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670471596 493570572 /nfs/dbraw/zinc/57/05/72/493570572.db2.gz UOEKMOAKQZIHNU-KRWDZBQOSA-N 3 2 367.538 0.071 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670471596 493570574 /nfs/dbraw/zinc/57/05/74/493570574.db2.gz UOEKMOAKQZIHNU-KRWDZBQOSA-N 3 2 367.538 0.071 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537447 493578034 /nfs/dbraw/zinc/57/80/34/493578034.db2.gz OQEGJOFQOZYYHB-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537447 493578036 /nfs/dbraw/zinc/57/80/36/493578036.db2.gz OQEGJOFQOZYYHB-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000670537647 493578316 /nfs/dbraw/zinc/57/83/16/493578316.db2.gz MFFHHDPGLVLOSX-CQSZACIVSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537305 493578431 /nfs/dbraw/zinc/57/84/31/493578431.db2.gz XLKDJDLTUYTOCD-HNNXBMFYSA-N 2 2 354.495 0.202 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663237741 493579310 /nfs/dbraw/zinc/57/93/10/493579310.db2.gz OBGWHBGDIQFJEG-HZPDHXFCSA-N 2 2 352.479 0.261 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670546692 493579478 /nfs/dbraw/zinc/57/94/78/493579478.db2.gz BFNZTEGVQLBJEW-CABCVRRESA-N 2 2 359.474 0.544 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547181 493579994 /nfs/dbraw/zinc/57/99/94/493579994.db2.gz XQAWRCPOISMIGB-DOTOQJQBSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547181 493579995 /nfs/dbraw/zinc/57/99/95/493579995.db2.gz XQAWRCPOISMIGB-DOTOQJQBSA-N 2 2 373.501 0.886 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663404013 493587511 /nfs/dbraw/zinc/58/75/11/493587511.db2.gz TYRMPOFIDFYXDG-UHFFFAOYSA-N 2 2 354.495 0.463 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000677184304 493588621 /nfs/dbraw/zinc/58/86/21/493588621.db2.gz ZYOMNKOBNYUQTK-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000677184304 493588622 /nfs/dbraw/zinc/58/86/22/493588622.db2.gz ZYOMNKOBNYUQTK-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000663480156 493591778 /nfs/dbraw/zinc/59/17/78/493591778.db2.gz NGBOMROLASQMDC-SJORKVTESA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000663480156 493591779 /nfs/dbraw/zinc/59/17/79/493591779.db2.gz NGBOMROLASQMDC-SJORKVTESA-N 2 2 354.495 0.459 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(OCCO)CC3)C2)CC1 ZINC000677477405 493603902 /nfs/dbraw/zinc/60/39/02/493603902.db2.gz ZXHLUIWOFOFUPT-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(OCCO)CC3)C2)CC1 ZINC000677477405 493603904 /nfs/dbraw/zinc/60/39/04/493603904.db2.gz ZXHLUIWOFOFUPT-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[NH+](C)CCO2)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000663730424 493615441 /nfs/dbraw/zinc/61/54/41/493615441.db2.gz PXVKKGHAGFAKND-SYMSYNOKSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[NH+](C)CCO2)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000663730424 493615443 /nfs/dbraw/zinc/61/54/43/493615443.db2.gz PXVKKGHAGFAKND-SYMSYNOKSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cn1)[C@@H]1C[NH+](C)CCO1 ZINC000663730424 493615446 /nfs/dbraw/zinc/61/54/46/493615446.db2.gz PXVKKGHAGFAKND-SYMSYNOKSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cn1)[C@@H]1C[NH+](C)CCO1 ZINC000663730424 493615448 /nfs/dbraw/zinc/61/54/48/493615448.db2.gz PXVKKGHAGFAKND-SYMSYNOKSA-N 2 2 364.494 0.739 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000677815386 493617611 /nfs/dbraw/zinc/61/76/11/493617611.db2.gz ZSQHPDCXTOJMBM-UHFFFAOYSA-N 2 2 352.454 0.960 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000677815386 493617614 /nfs/dbraw/zinc/61/76/14/493617614.db2.gz ZSQHPDCXTOJMBM-UHFFFAOYSA-N 2 2 352.454 0.960 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000670982232 493618783 /nfs/dbraw/zinc/61/87/83/493618783.db2.gz CXLFYIKRCCELSB-NWANDNLSSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000670982232 493618784 /nfs/dbraw/zinc/61/87/84/493618784.db2.gz CXLFYIKRCCELSB-NWANDNLSSA-N 2 2 368.503 0.302 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000663824169 493619305 /nfs/dbraw/zinc/61/93/05/493619305.db2.gz BIRKEQYFSQRYHQ-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000671033779 493625635 /nfs/dbraw/zinc/62/56/35/493625635.db2.gz AOPUPDBTDKUDDR-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000671033779 493625636 /nfs/dbraw/zinc/62/56/36/493625636.db2.gz AOPUPDBTDKUDDR-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664083688 493635155 /nfs/dbraw/zinc/63/51/55/493635155.db2.gz UWPDCEFLANGSTF-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664083688 493635158 /nfs/dbraw/zinc/63/51/58/493635158.db2.gz UWPDCEFLANGSTF-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678112553 493635174 /nfs/dbraw/zinc/63/51/74/493635174.db2.gz WWJXRHDETQYZOQ-HOCLYGCPSA-N 2 2 361.494 0.830 20 0 FCADLP Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678112553 493635175 /nfs/dbraw/zinc/63/51/75/493635175.db2.gz WWJXRHDETQYZOQ-HOCLYGCPSA-N 2 2 361.494 0.830 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664082548 493635430 /nfs/dbraw/zinc/63/54/30/493635430.db2.gz HUUPNCQYUMZZCQ-BRWVUGGUSA-N 2 2 365.522 0.175 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671126317 493639917 /nfs/dbraw/zinc/63/99/17/493639917.db2.gz YYZPMHLVLXBLMZ-MRXNPFEDSA-N 2 2 359.474 0.479 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671126317 493639918 /nfs/dbraw/zinc/63/99/18/493639918.db2.gz YYZPMHLVLXBLMZ-MRXNPFEDSA-N 2 2 359.474 0.479 20 0 FCADLP C[C@H](CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C[NH+]1CCOCC1 ZINC000664190210 493643397 /nfs/dbraw/zinc/64/33/97/493643397.db2.gz GAVXEFMRYJOLHX-HUUCEWRRSA-N 2 2 367.494 0.747 20 0 FCADLP C[C@H](CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)C[NH+]1CCOCC1 ZINC000664192500 493643442 /nfs/dbraw/zinc/64/34/42/493643442.db2.gz ZDSKSXRJHXNAMA-QGZVFWFLSA-N 2 2 368.522 0.709 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000671170705 493645300 /nfs/dbraw/zinc/64/53/00/493645300.db2.gz FGDBOKKTRZVNHS-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[nH+]c12 ZINC000664291440 493651104 /nfs/dbraw/zinc/65/11/04/493651104.db2.gz VOEICNZPXBQWKG-UHFFFAOYSA-N 2 2 374.489 0.847 20 0 FCADLP CN(C(=O)C(=O)NCc1nccs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671298156 493653458 /nfs/dbraw/zinc/65/34/58/493653458.db2.gz WHBIJRZROKFGGI-AWEZNQCLSA-N 2 2 365.503 0.386 20 0 FCADLP CN(C(=O)C(=O)NCc1nccs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671298156 493653462 /nfs/dbraw/zinc/65/34/62/493653462.db2.gz WHBIJRZROKFGGI-AWEZNQCLSA-N 2 2 365.503 0.386 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3Cc4ccccc43)C2)CC1 ZINC000671324504 493654882 /nfs/dbraw/zinc/65/48/82/493654882.db2.gz OUIUSADENBAMMT-DLBZAZTESA-N 2 2 370.497 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3Cc4ccccc43)C2)CC1 ZINC000671324504 493654884 /nfs/dbraw/zinc/65/48/84/493654884.db2.gz OUIUSADENBAMMT-DLBZAZTESA-N 2 2 370.497 0.727 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000671324509 493655131 /nfs/dbraw/zinc/65/51/31/493655131.db2.gz OUIUSADENBAMMT-SJORKVTESA-N 2 2 370.497 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000671324509 493655135 /nfs/dbraw/zinc/65/51/35/493655135.db2.gz OUIUSADENBAMMT-SJORKVTESA-N 2 2 370.497 0.727 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671348940 493658274 /nfs/dbraw/zinc/65/82/74/493658274.db2.gz VNSZTPFXDBPGMM-HNNXBMFYSA-N 2 2 356.430 0.570 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671365589 493660626 /nfs/dbraw/zinc/66/06/26/493660626.db2.gz AMEFNEKZNSCOLY-CVEARBPZSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671365589 493660628 /nfs/dbraw/zinc/66/06/28/493660628.db2.gz AMEFNEKZNSCOLY-CVEARBPZSA-N 3 2 367.538 0.118 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664472984 493661891 /nfs/dbraw/zinc/66/18/91/493661891.db2.gz IZUNCJSNMDNMNE-RCCFBDPRSA-N 2 2 366.506 0.480 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671395049 493664648 /nfs/dbraw/zinc/66/46/48/493664648.db2.gz RQNWPIKHZDSPMX-SFHVURJKSA-N 2 2 356.470 0.719 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671395049 493664649 /nfs/dbraw/zinc/66/46/49/493664649.db2.gz RQNWPIKHZDSPMX-SFHVURJKSA-N 2 2 356.470 0.719 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394493 493664701 /nfs/dbraw/zinc/66/47/01/493664701.db2.gz LPNWISBOSHEEAP-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394493 493664702 /nfs/dbraw/zinc/66/47/02/493664702.db2.gz LPNWISBOSHEEAP-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597680 493670262 /nfs/dbraw/zinc/67/02/62/493670262.db2.gz QKKHFOQMZVRYMF-UXLLHSPISA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597680 493670263 /nfs/dbraw/zinc/67/02/63/493670263.db2.gz QKKHFOQMZVRYMF-UXLLHSPISA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597680 493670264 /nfs/dbraw/zinc/67/02/64/493670264.db2.gz QKKHFOQMZVRYMF-UXLLHSPISA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597680 493670265 /nfs/dbraw/zinc/67/02/65/493670265.db2.gz QKKHFOQMZVRYMF-UXLLHSPISA-N 2 2 361.490 0.719 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+](C(C)(C)CO)CC1)n2C ZINC000679315129 493674737 /nfs/dbraw/zinc/67/47/37/493674737.db2.gz XZGDHPOFACTVBO-UHFFFAOYSA-N 2 2 360.462 0.563 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000664758270 493681936 /nfs/dbraw/zinc/68/19/36/493681936.db2.gz NTPNZPPSBJLQPA-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP CCOC1CC(CNC(=O)NCC[C@@H](C)[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000664767755 493682673 /nfs/dbraw/zinc/68/26/73/493682673.db2.gz XUDFAXYWNIEZHK-KLHKWILBSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)(CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000679500111 493683191 /nfs/dbraw/zinc/68/31/91/493683191.db2.gz IFEYZHSDRFMMKD-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000679509166 493685010 /nfs/dbraw/zinc/68/50/10/493685010.db2.gz YXUWPNBNIFXUOT-OAHLLOKOSA-N 2 2 352.398 0.679 20 0 FCADLP Cc1nc([C@H]2COCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)no1 ZINC000679617579 493689255 /nfs/dbraw/zinc/68/92/55/493689255.db2.gz UAHZBGGNEQCALN-OAHLLOKOSA-N 2 2 366.466 0.487 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000665143694 493701863 /nfs/dbraw/zinc/70/18/63/493701863.db2.gz MRHRNSXMPFHLTL-JQHSSLGASA-N 2 2 358.486 0.740 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000665143694 493701865 /nfs/dbraw/zinc/70/18/65/493701865.db2.gz MRHRNSXMPFHLTL-JQHSSLGASA-N 2 2 358.486 0.740 20 0 FCADLP COCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671914661 493714025 /nfs/dbraw/zinc/71/40/25/493714025.db2.gz QCFNSOQXPZKBGJ-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP COCCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671914661 493714026 /nfs/dbraw/zinc/71/40/26/493714026.db2.gz QCFNSOQXPZKBGJ-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@H](C4CC4)C3)CC2)CC1 ZINC000671950757 493717404 /nfs/dbraw/zinc/71/74/04/493717404.db2.gz JOJMWQNZRWVSKM-INIZCTEOSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@@H](C4CC4)C3)CC2)CC1 ZINC000671950758 493717542 /nfs/dbraw/zinc/71/75/42/493717542.db2.gz JOJMWQNZRWVSKM-MRXNPFEDSA-N 2 2 362.518 0.920 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000671962718 493718943 /nfs/dbraw/zinc/71/89/43/493718943.db2.gz JVUUIBFEPRPYIQ-UHFFFAOYSA-N 2 2 370.457 0.928 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680552872 493723622 /nfs/dbraw/zinc/72/36/22/493723622.db2.gz MNQDPXICPSYRSR-BHYGNILZSA-N 2 2 354.495 0.648 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680552872 493723624 /nfs/dbraw/zinc/72/36/24/493723624.db2.gz MNQDPXICPSYRSR-BHYGNILZSA-N 2 2 354.495 0.648 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099056 493735534 /nfs/dbraw/zinc/73/55/34/493735534.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099056 493735536 /nfs/dbraw/zinc/73/55/36/493735536.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672099056 493735537 /nfs/dbraw/zinc/73/55/37/493735537.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672099056 493735540 /nfs/dbraw/zinc/73/55/40/493735540.db2.gz ZGKUWJPAWXEUTO-CVEARBPZSA-N 3 2 367.538 0.118 20 0 FCADLP CCNc1nc(N2CC[NH+](C(C)(C)CO)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000672217063 493744445 /nfs/dbraw/zinc/74/44/45/493744445.db2.gz NOCOIORCGTVUDA-UHFFFAOYSA-N 2 2 351.499 0.829 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000672319916 493756236 /nfs/dbraw/zinc/75/62/36/493756236.db2.gz DEJBPGLDMHDINI-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000672320265 493756768 /nfs/dbraw/zinc/75/67/68/493756768.db2.gz BZEXVKQGXBNZRM-JYJNAYRXSA-N 2 2 363.462 0.272 20 0 FCADLP CC(C)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nncn1C ZINC000672427581 493766406 /nfs/dbraw/zinc/76/64/06/493766406.db2.gz PQNHJPGKKDFESU-GOEBONIOSA-N 2 2 363.510 0.980 20 0 FCADLP CC(C)[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nncn1C ZINC000672427581 493766407 /nfs/dbraw/zinc/76/64/07/493766407.db2.gz PQNHJPGKKDFESU-GOEBONIOSA-N 2 2 363.510 0.980 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)C2)CC1 ZINC000672427642 493767397 /nfs/dbraw/zinc/76/73/97/493767397.db2.gz WIXGCNRSBKYTQG-JQHSSLGASA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)C2)CC1 ZINC000672427642 493767400 /nfs/dbraw/zinc/76/74/00/493767400.db2.gz WIXGCNRSBKYTQG-JQHSSLGASA-N 2 2 366.506 0.744 20 0 FCADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698699 533991663 /nfs/dbraw/zinc/99/16/63/533991663.db2.gz NUQIUNZJDJLVKP-JKSUJKDBSA-N 2 2 374.489 0.139 20 0 FCADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698699 533991676 /nfs/dbraw/zinc/99/16/76/533991676.db2.gz NUQIUNZJDJLVKP-JKSUJKDBSA-N 2 2 374.489 0.139 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000409448382 534227456 /nfs/dbraw/zinc/22/74/56/534227456.db2.gz ICXRTOINQJKZOZ-CALCHBBNSA-N 2 2 358.552 0.512 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000409448382 534227459 /nfs/dbraw/zinc/22/74/59/534227459.db2.gz ICXRTOINQJKZOZ-CALCHBBNSA-N 2 2 358.552 0.512 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419117096 517428731 /nfs/dbraw/zinc/42/87/31/517428731.db2.gz LYKTYRTVSMENLT-APWZRJJASA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@H]1[NH+](C)C ZINC000410676218 534284218 /nfs/dbraw/zinc/28/42/18/534284218.db2.gz OSTJFJZHICCASK-OWCLPIDISA-N 2 2 361.490 0.610 20 0 FCADLP Nc1cc[nH+]cc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000188148544 534742815 /nfs/dbraw/zinc/74/28/15/534742815.db2.gz CYVVJTQSEFFMEM-UHFFFAOYSA-N 2 2 354.414 0.528 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000410843322 527801788 /nfs/dbraw/zinc/80/17/88/527801788.db2.gz MRNVPOFRTYASAZ-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000410843322 527801790 /nfs/dbraw/zinc/80/17/90/527801790.db2.gz MRNVPOFRTYASAZ-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000410843322 527801796 /nfs/dbraw/zinc/80/17/96/527801796.db2.gz MRNVPOFRTYASAZ-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000410843322 527801799 /nfs/dbraw/zinc/80/17/99/527801799.db2.gz MRNVPOFRTYASAZ-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410844224 527803787 /nfs/dbraw/zinc/80/37/87/527803787.db2.gz OPXQGQPLOLESSH-RDJZCZTQSA-N 2 2 360.458 0.862 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410844224 527803791 /nfs/dbraw/zinc/80/37/91/527803791.db2.gz OPXQGQPLOLESSH-RDJZCZTQSA-N 2 2 360.458 0.862 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631464 527823141 /nfs/dbraw/zinc/82/31/41/527823141.db2.gz MXDVVRUZPOAZFS-IXDOHACOSA-N 2 2 368.522 0.354 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631464 527823145 /nfs/dbraw/zinc/82/31/45/527823145.db2.gz MXDVVRUZPOAZFS-IXDOHACOSA-N 2 2 368.522 0.354 20 0 FCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631464 527823149 /nfs/dbraw/zinc/82/31/49/527823149.db2.gz MXDVVRUZPOAZFS-IXDOHACOSA-N 2 2 368.522 0.354 20 0 FCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631464 527823156 /nfs/dbraw/zinc/82/31/56/527823156.db2.gz MXDVVRUZPOAZFS-IXDOHACOSA-N 2 2 368.522 0.354 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000410712404 527921184 /nfs/dbraw/zinc/92/11/84/527921184.db2.gz OKCBQWXGDRJCEY-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000410712404 527921189 /nfs/dbraw/zinc/92/11/89/527921189.db2.gz OKCBQWXGDRJCEY-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000410712404 527921194 /nfs/dbraw/zinc/92/11/94/527921194.db2.gz OKCBQWXGDRJCEY-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000410712404 527921199 /nfs/dbraw/zinc/92/11/99/527921199.db2.gz OKCBQWXGDRJCEY-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@@H]1C ZINC000410706548 527923373 /nfs/dbraw/zinc/92/33/73/527923373.db2.gz YVCJDKYTXFELBH-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@@H]1C ZINC000410706548 527923379 /nfs/dbraw/zinc/92/33/79/527923379.db2.gz YVCJDKYTXFELBH-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000175650245 527960408 /nfs/dbraw/zinc/96/04/08/527960408.db2.gz WCYJGERQEJRPCD-KRWDZBQOSA-N 2 2 356.511 0.441 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@@H]1C ZINC000410706550 527963078 /nfs/dbraw/zinc/96/30/78/527963078.db2.gz YVCJDKYTXFELBH-IRXDYDNUSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@@H]1C ZINC000410706550 527963083 /nfs/dbraw/zinc/96/30/83/527963083.db2.gz YVCJDKYTXFELBH-IRXDYDNUSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000410814813 528433526 /nfs/dbraw/zinc/43/35/26/528433526.db2.gz ZMBFCMPKFNZKST-HNNXBMFYSA-N 2 2 364.494 0.415 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000410813850 528434138 /nfs/dbraw/zinc/43/41/38/528434138.db2.gz XHNXATHHXDRQAI-UHFFFAOYSA-N 2 2 356.511 0.356 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000410731688 528731014 /nfs/dbraw/zinc/73/10/14/528731014.db2.gz HRHLBHXHVIMENK-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP CC(C)[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000413077137 529002277 /nfs/dbraw/zinc/00/22/77/529002277.db2.gz RTLVLNVUUOJQBD-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC(=O)NC(=O)NC)[C@@H]1c1cnn(C)c1 ZINC000411581988 529047409 /nfs/dbraw/zinc/04/74/09/529047409.db2.gz JUDAASVXPFBUHS-WMLDXEAASA-N 2 2 364.494 0.971 20 0 FCADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC(=O)NC(=O)NC)[C@@H]1c1cnn(C)c1 ZINC000411581988 529047415 /nfs/dbraw/zinc/04/74/15/529047415.db2.gz JUDAASVXPFBUHS-WMLDXEAASA-N 2 2 364.494 0.971 20 0 FCADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC(=O)NC(=O)NC)[C@@H]1c1cnn(C)c1 ZINC000411581988 529047419 /nfs/dbraw/zinc/04/74/19/529047419.db2.gz JUDAASVXPFBUHS-WMLDXEAASA-N 2 2 364.494 0.971 20 0 FCADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC(=O)NC(=O)NC)[C@@H]1c1cnn(C)c1 ZINC000411581988 529047434 /nfs/dbraw/zinc/04/74/34/529047434.db2.gz JUDAASVXPFBUHS-WMLDXEAASA-N 2 2 364.494 0.971 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410733260 529118676 /nfs/dbraw/zinc/11/86/76/529118676.db2.gz USXMAUKEOZSRTE-PMPSAXMXSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410733260 529118679 /nfs/dbraw/zinc/11/86/79/529118679.db2.gz USXMAUKEOZSRTE-PMPSAXMXSA-N 2 2 374.489 0.310 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000410479077 529352313 /nfs/dbraw/zinc/35/23/13/529352313.db2.gz RDAVSZHKXJXQHS-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000410479077 529352315 /nfs/dbraw/zinc/35/23/15/529352315.db2.gz RDAVSZHKXJXQHS-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659019 535187343 /nfs/dbraw/zinc/18/73/43/535187343.db2.gz HHYHDMNUNOJNOR-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000430594298 535308244 /nfs/dbraw/zinc/30/82/44/535308244.db2.gz VFTXPHJWGXHUOY-MRXNPFEDSA-N 2 2 354.476 0.186 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414799735 535361205 /nfs/dbraw/zinc/36/12/05/535361205.db2.gz GXAAWNYAPMINRB-UHFFFAOYSA-N 2 2 364.446 0.190 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414799735 535361209 /nfs/dbraw/zinc/36/12/09/535361209.db2.gz GXAAWNYAPMINRB-UHFFFAOYSA-N 2 2 364.446 0.190 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419398543 535439215 /nfs/dbraw/zinc/43/92/15/535439215.db2.gz XHUIKUDJTNUDFQ-GOSISDBHSA-N 2 2 358.486 0.761 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419398543 535439216 /nfs/dbraw/zinc/43/92/16/535439216.db2.gz XHUIKUDJTNUDFQ-GOSISDBHSA-N 2 2 358.486 0.761 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424494839 535591493 /nfs/dbraw/zinc/59/14/93/535591493.db2.gz OKTDUFARGPZOBA-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423545948 535604140 /nfs/dbraw/zinc/60/41/40/535604140.db2.gz BGHHUELTCUSRFE-QLFBSQMISA-N 2 2 362.478 0.201 20 0 FCADLP CCN1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000415198550 535607665 /nfs/dbraw/zinc/60/76/65/535607665.db2.gz CKPVPFDMZLYUQQ-MRXNPFEDSA-N 2 2 370.457 0.973 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c[nH+]1 ZINC000419199286 535684373 /nfs/dbraw/zinc/68/43/73/535684373.db2.gz CUCTUHKSGMDBEL-HOCLYGCPSA-N 2 2 361.490 0.987 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423778010 536340379 /nfs/dbraw/zinc/34/03/79/536340379.db2.gz SHTPJQDGPFUYSX-KRWDZBQOSA-N 2 2 371.441 0.407 20 0 FCADLP CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831198 546534538 /nfs/dbraw/zinc/53/45/38/546534538.db2.gz SNNATFNEWGPOFO-FUHWJXTLSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831198 546534544 /nfs/dbraw/zinc/53/45/44/546534544.db2.gz SNNATFNEWGPOFO-FUHWJXTLSA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CCO2 ZINC000592184114 546618823 /nfs/dbraw/zinc/61/88/23/546618823.db2.gz ZBKPXRZHBFTTEA-UHFFFAOYSA-N 2 2 352.357 0.171 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CCO2 ZINC000592184114 546618827 /nfs/dbraw/zinc/61/88/27/546618827.db2.gz ZBKPXRZHBFTTEA-UHFFFAOYSA-N 2 2 352.357 0.171 20 0 FCADLP CSCC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nnc2ccccn21 ZINC000593906155 546767067 /nfs/dbraw/zinc/76/70/67/546767067.db2.gz RUOLKXVLZUGFCR-OLZOCXBDSA-N 2 2 350.492 0.919 20 0 FCADLP COC(=O)CCN1CC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1=O ZINC000594728069 546823384 /nfs/dbraw/zinc/82/33/84/546823384.db2.gz GEFSKWHZIFKBGJ-INIZCTEOSA-N 2 2 355.479 0.629 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000152572850 546920080 /nfs/dbraw/zinc/92/00/80/546920080.db2.gz CZNWBSBOSMFXQQ-RDJZCZTQSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000152572850 546920083 /nfs/dbraw/zinc/92/00/83/546920083.db2.gz CZNWBSBOSMFXQQ-RDJZCZTQSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152572850 546920089 /nfs/dbraw/zinc/92/00/89/546920089.db2.gz CZNWBSBOSMFXQQ-RDJZCZTQSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152572850 546920091 /nfs/dbraw/zinc/92/00/91/546920091.db2.gz CZNWBSBOSMFXQQ-RDJZCZTQSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)[NH+]1CCSCC1 ZINC000152872436 546927588 /nfs/dbraw/zinc/92/75/88/546927588.db2.gz VZZGUAFWBPOLBH-AWEZNQCLSA-N 2 2 364.519 0.629 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550086502 547077685 /nfs/dbraw/zinc/07/76/85/547077685.db2.gz GVLAAYVFBVPJKJ-UHFFFAOYSA-N 2 2 351.451 0.005 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000550662727 547096434 /nfs/dbraw/zinc/09/64/34/547096434.db2.gz AIASOLWHXKLXRF-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000550662727 547096438 /nfs/dbraw/zinc/09/64/38/547096438.db2.gz AIASOLWHXKLXRF-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000550687206 547097459 /nfs/dbraw/zinc/09/74/59/547097459.db2.gz STGKUOPSWUEYCP-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000551074194 547124766 /nfs/dbraw/zinc/12/47/66/547124766.db2.gz GEXLVBIISIGQFI-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000551122888 547127644 /nfs/dbraw/zinc/12/76/44/547127644.db2.gz BMRRQIRXUJETHJ-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000552176164 547193127 /nfs/dbraw/zinc/19/31/27/547193127.db2.gz ZJMQMUXPZOKGJE-HNNXBMFYSA-N 2 2 362.499 0.745 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000552176164 547193130 /nfs/dbraw/zinc/19/31/30/547193130.db2.gz ZJMQMUXPZOKGJE-HNNXBMFYSA-N 2 2 362.499 0.745 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747360 547229352 /nfs/dbraw/zinc/22/93/52/547229352.db2.gz FMIOQDLCRPLMTK-HRCADAONSA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747360 547229355 /nfs/dbraw/zinc/22/93/55/547229355.db2.gz FMIOQDLCRPLMTK-HRCADAONSA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747360 547229359 /nfs/dbraw/zinc/22/93/59/547229359.db2.gz FMIOQDLCRPLMTK-HRCADAONSA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747360 547229362 /nfs/dbraw/zinc/22/93/62/547229362.db2.gz FMIOQDLCRPLMTK-HRCADAONSA-N 2 2 356.511 0.401 20 0 FCADLP CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000552958714 547242943 /nfs/dbraw/zinc/24/29/43/547242943.db2.gz ZUOIWCPOCZHUQJ-KLHDSHLOSA-N 2 2 351.495 0.776 20 0 FCADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000736198190 599316289 /nfs/dbraw/zinc/31/62/89/599316289.db2.gz HLRAEMXYLSHBSR-YJBOKZPZSA-N 2 2 371.489 0.876 20 0 FCADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000736198190 599316291 /nfs/dbraw/zinc/31/62/91/599316291.db2.gz HLRAEMXYLSHBSR-YJBOKZPZSA-N 2 2 371.489 0.876 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826021642 607736564 /nfs/dbraw/zinc/73/65/64/607736564.db2.gz BLHLRXUBGRZRNJ-ZDUSSCGKSA-N 2 2 358.450 0.435 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826021642 607736565 /nfs/dbraw/zinc/73/65/65/607736565.db2.gz BLHLRXUBGRZRNJ-ZDUSSCGKSA-N 2 2 358.450 0.435 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cn2)CC1 ZINC000821628144 606794979 /nfs/dbraw/zinc/79/49/79/606794979.db2.gz BDVQYMOLCMWMCN-UHFFFAOYSA-N 2 2 365.445 0.698 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821600613 606899955 /nfs/dbraw/zinc/89/99/55/606899955.db2.gz VJAOZSAZGVVTLL-KRWDZBQOSA-N 2 2 360.462 0.679 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821600613 606899956 /nfs/dbraw/zinc/89/99/56/606899956.db2.gz VJAOZSAZGVVTLL-KRWDZBQOSA-N 2 2 360.462 0.679 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000820843149 606982206 /nfs/dbraw/zinc/98/22/06/606982206.db2.gz UMWLHXBZHVWHDI-MRXNPFEDSA-N 2 2 357.462 0.851 20 0 FCADLP O=S(=O)(CC[NH2+]CCCn1cc[nH+]c1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485273 607814186 /nfs/dbraw/zinc/81/41/86/607814186.db2.gz JAECTRALBHNJIJ-UHFFFAOYSA-N 2 2 361.431 0.517 20 0 FCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584634 609332859 /nfs/dbraw/zinc/33/28/59/609332859.db2.gz CXUDCLWGWKWWKG-GFCCVEGCSA-N 2 2 361.425 0.821 20 0 FCADLP CO[C@@H]1CCOC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898088360 665797581 /nfs/dbraw/zinc/79/75/81/665797581.db2.gz DOOCKKFZQQENOT-BRWVUGGUSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CCOC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898088360 665797582 /nfs/dbraw/zinc/79/75/82/665797582.db2.gz DOOCKKFZQQENOT-BRWVUGGUSA-N 2 2 354.495 0.600 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](C[C@@H]4CCCO4)C3=O)C2)CC1 ZINC000924633268 665856614 /nfs/dbraw/zinc/85/66/14/665856614.db2.gz HPSINDRJKYTVBY-JYJNAYRXSA-N 2 2 350.463 0.644 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](C[C@@H]4CCCO4)C3=O)C2)CC1 ZINC000924633268 665856618 /nfs/dbraw/zinc/85/66/18/665856618.db2.gz HPSINDRJKYTVBY-JYJNAYRXSA-N 2 2 350.463 0.644 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000891519199 663411563 /nfs/dbraw/zinc/41/15/63/663411563.db2.gz YFGCBYXVUUYJMN-XHSDSOJGSA-N 2 2 354.495 0.554 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022230600 663422844 /nfs/dbraw/zinc/42/28/44/663422844.db2.gz AUWATTSJVSFGII-VQJWOFKYSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022230600 663422846 /nfs/dbraw/zinc/42/28/46/663422846.db2.gz AUWATTSJVSFGII-VQJWOFKYSA-N 2 2 366.487 0.575 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037790 663867444 /nfs/dbraw/zinc/86/74/44/663867444.db2.gz BPGXCSXAYRWPIQ-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037790 663867447 /nfs/dbraw/zinc/86/74/47/663867447.db2.gz BPGXCSXAYRWPIQ-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000892514157 663996897 /nfs/dbraw/zinc/99/68/97/663996897.db2.gz XDHIMGXFQUMONT-UKRRQHHQSA-N 2 2 365.503 0.892 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CCO1 ZINC000892606088 664047248 /nfs/dbraw/zinc/04/72/48/664047248.db2.gz XKPBQSFOGRAQAU-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CCO1 ZINC000892606088 664047251 /nfs/dbraw/zinc/04/72/51/664047251.db2.gz XKPBQSFOGRAQAU-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892606088 664047252 /nfs/dbraw/zinc/04/72/52/664047252.db2.gz XKPBQSFOGRAQAU-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCO1 ZINC000892606088 664047256 /nfs/dbraw/zinc/04/72/56/664047256.db2.gz XKPBQSFOGRAQAU-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000892928941 664155344 /nfs/dbraw/zinc/15/53/44/664155344.db2.gz CVTXAQDFAYUSSR-HNNXBMFYSA-N 2 2 360.524 0.231 20 0 FCADLP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000892928941 664155346 /nfs/dbraw/zinc/15/53/46/664155346.db2.gz CVTXAQDFAYUSSR-HNNXBMFYSA-N 2 2 360.524 0.231 20 0 FCADLP Cc1nnsc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027463536 664411782 /nfs/dbraw/zinc/41/17/82/664411782.db2.gz CSNLQDDSVYHRJQ-BPLDGKMQSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027463536 664411786 /nfs/dbraw/zinc/41/17/86/664411786.db2.gz CSNLQDDSVYHRJQ-BPLDGKMQSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463536 664411788 /nfs/dbraw/zinc/41/17/88/664411788.db2.gz CSNLQDDSVYHRJQ-BPLDGKMQSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463536 664411790 /nfs/dbraw/zinc/41/17/90/664411790.db2.gz CSNLQDDSVYHRJQ-BPLDGKMQSA-N 2 2 367.519 0.988 20 0 FCADLP CCn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965370 664479257 /nfs/dbraw/zinc/47/92/57/664479257.db2.gz ACRLTNXMDZJIMN-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965370 664479260 /nfs/dbraw/zinc/47/92/60/664479260.db2.gz ACRLTNXMDZJIMN-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027965370 664479263 /nfs/dbraw/zinc/47/92/63/664479263.db2.gz ACRLTNXMDZJIMN-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027965370 664479264 /nfs/dbraw/zinc/47/92/64/664479264.db2.gz ACRLTNXMDZJIMN-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001028549514 664901446 /nfs/dbraw/zinc/90/14/46/664901446.db2.gz ABLDOYGTEJBKPA-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001028549514 664901447 /nfs/dbraw/zinc/90/14/47/664901447.db2.gz ABLDOYGTEJBKPA-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001028549514 664901449 /nfs/dbraw/zinc/90/14/49/664901449.db2.gz ABLDOYGTEJBKPA-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001028549514 664901451 /nfs/dbraw/zinc/90/14/51/664901451.db2.gz ABLDOYGTEJBKPA-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984013170 665013509 /nfs/dbraw/zinc/01/35/09/665013509.db2.gz HXTJHCQQNVZCEY-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984013170 665013510 /nfs/dbraw/zinc/01/35/10/665013510.db2.gz HXTJHCQQNVZCEY-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP CCc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984015383 665013575 /nfs/dbraw/zinc/01/35/75/665013575.db2.gz QASFGBBCRKCFOO-IXYNUQLISA-N 2 2 350.463 0.941 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC000984017311 665014107 /nfs/dbraw/zinc/01/41/07/665014107.db2.gz ZEOQBZWSJSTLPH-WPLOAARJSA-N 2 2 353.492 0.803 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC000984017311 665014109 /nfs/dbraw/zinc/01/41/09/665014109.db2.gz ZEOQBZWSJSTLPH-WPLOAARJSA-N 2 2 353.492 0.803 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000895486533 665046173 /nfs/dbraw/zinc/04/61/73/665046173.db2.gz FJGBNHPYQYKRKE-UKRRQHHQSA-N 2 2 366.487 0.750 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000895486533 665046176 /nfs/dbraw/zinc/04/61/76/665046176.db2.gz FJGBNHPYQYKRKE-UKRRQHHQSA-N 2 2 366.487 0.750 20 0 FCADLP COC(=O)c1coc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000895686643 665054932 /nfs/dbraw/zinc/05/49/32/665054932.db2.gz UEMHAJXEAHUYFB-INIZCTEOSA-N 2 2 351.447 0.952 20 0 FCADLP COC(=O)c1occc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895688795 665055268 /nfs/dbraw/zinc/05/52/68/665055268.db2.gz ZPEMRNISPNTAAR-INIZCTEOSA-N 2 2 351.447 0.952 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000895688126 665055276 /nfs/dbraw/zinc/05/52/76/665055276.db2.gz IWWZQGPBZHDPHV-OAHLLOKOSA-N 2 2 351.447 0.952 20 0 FCADLP Cc1noc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029766848 665171452 /nfs/dbraw/zinc/17/14/52/665171452.db2.gz HRWZCJVEBAYCGG-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1noc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029766848 665171454 /nfs/dbraw/zinc/17/14/54/665171454.db2.gz HRWZCJVEBAYCGG-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1noc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029766848 665171456 /nfs/dbraw/zinc/17/14/56/665171456.db2.gz HRWZCJVEBAYCGG-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1noc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029766848 665171458 /nfs/dbraw/zinc/17/14/58/665171458.db2.gz HRWZCJVEBAYCGG-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897466001 665289981 /nfs/dbraw/zinc/28/99/81/665289981.db2.gz MENUZPHZRRFCSZ-QAPCUYQASA-N 2 2 354.495 0.243 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897466001 665289982 /nfs/dbraw/zinc/28/99/82/665289982.db2.gz MENUZPHZRRFCSZ-QAPCUYQASA-N 2 2 354.495 0.243 20 0 FCADLP C[C@@H]1CC[NH+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000897466001 665289983 /nfs/dbraw/zinc/28/99/83/665289983.db2.gz MENUZPHZRRFCSZ-QAPCUYQASA-N 2 2 354.495 0.243 20 0 FCADLP C[C@@H]1CC[NH+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000897466001 665289984 /nfs/dbraw/zinc/28/99/84/665289984.db2.gz MENUZPHZRRFCSZ-QAPCUYQASA-N 2 2 354.495 0.243 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418944716 674706428 /nfs/dbraw/zinc/70/64/28/674706428.db2.gz OOIZMMJVFCFOHS-GOSISDBHSA-N 2 2 362.499 0.577 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000418944716 674706437 /nfs/dbraw/zinc/70/64/37/674706437.db2.gz OOIZMMJVFCFOHS-GOSISDBHSA-N 2 2 362.499 0.577 20 0 FCADLP CC(C)(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000906630761 666061210 /nfs/dbraw/zinc/06/12/10/666061210.db2.gz KRKNUJSGWFJYOE-UHFFFAOYSA-N 2 2 359.536 0.876 20 0 FCADLP C[NH+]1CCC(O)(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906856134 666074553 /nfs/dbraw/zinc/07/45/53/666074553.db2.gz LZMFZUNWXVYBED-UHFFFAOYSA-N 2 2 350.463 0.007 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000907835905 666165395 /nfs/dbraw/zinc/16/53/95/666165395.db2.gz KWASTAAZQUUSNA-GOSISDBHSA-N 2 2 354.539 0.972 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)[C@H]4CSCCN4C3=O)CC2)CC1 ZINC000349354475 666548475 /nfs/dbraw/zinc/54/84/75/666548475.db2.gz ZJZVLCDXLVAZKF-OAHLLOKOSA-N 2 2 352.504 0.925 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000913920018 666668148 /nfs/dbraw/zinc/66/81/48/666668148.db2.gz FMRGRPUIHKFSSL-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920018 666668149 /nfs/dbraw/zinc/66/81/49/666668149.db2.gz FMRGRPUIHKFSSL-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287385 666905377 /nfs/dbraw/zinc/90/53/77/666905377.db2.gz ZOCKHBWULAXGIC-GDBMZVCRSA-N 2 2 352.479 0.750 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287385 666905380 /nfs/dbraw/zinc/90/53/80/666905380.db2.gz ZOCKHBWULAXGIC-GDBMZVCRSA-N 2 2 352.479 0.750 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000993583749 666918561 /nfs/dbraw/zinc/91/85/61/666918561.db2.gz NFBSRHOOKDQPNR-MGPQQGTHSA-N 2 2 365.503 0.288 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000993583749 666918563 /nfs/dbraw/zinc/91/85/63/666918563.db2.gz NFBSRHOOKDQPNR-MGPQQGTHSA-N 2 2 365.503 0.288 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993608127 666921093 /nfs/dbraw/zinc/92/10/93/666921093.db2.gz UPWYUSODOGZZOC-QJPTWQEYSA-N 2 2 355.389 0.048 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993608127 666921094 /nfs/dbraw/zinc/92/10/94/666921094.db2.gz UPWYUSODOGZZOC-QJPTWQEYSA-N 2 2 355.389 0.048 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(F)F ZINC000993591838 666922572 /nfs/dbraw/zinc/92/25/72/666922572.db2.gz MHYQWZAIUODMQY-UTUOFQBUSA-N 2 2 355.389 0.190 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(F)F ZINC000993591838 666922573 /nfs/dbraw/zinc/92/25/73/666922573.db2.gz MHYQWZAIUODMQY-UTUOFQBUSA-N 2 2 355.389 0.190 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000734309753 666960968 /nfs/dbraw/zinc/96/09/68/666960968.db2.gz QSMVSRFTAORKCG-QGZVFWFLSA-N 2 2 369.579 0.295 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000734309753 666960970 /nfs/dbraw/zinc/96/09/70/666960970.db2.gz QSMVSRFTAORKCG-QGZVFWFLSA-N 2 2 369.579 0.295 20 0 FCADLP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)no1 ZINC000996721630 666968298 /nfs/dbraw/zinc/96/82/98/666968298.db2.gz ZDUVATSFVVMTPV-LALPHHSUSA-N 2 2 351.451 0.739 20 0 FCADLP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)no1 ZINC000996721630 666968299 /nfs/dbraw/zinc/96/82/99/666968299.db2.gz ZDUVATSFVVMTPV-LALPHHSUSA-N 2 2 351.451 0.739 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000154806876 667134407 /nfs/dbraw/zinc/13/44/07/667134407.db2.gz WUOZPIWFNQADHT-UHFFFAOYSA-N 2 2 352.401 0.541 20 0 FCADLP C[NH+]1CCC(NC(=S)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000920310324 667235084 /nfs/dbraw/zinc/23/50/84/667235084.db2.gz MRJDVXBZOMVNKU-INIZCTEOSA-N 2 2 358.577 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCCCC3)C2)CC[N@@H+]1C ZINC001031682248 667263909 /nfs/dbraw/zinc/26/39/09/667263909.db2.gz BPZOXMKOBROWLF-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCCCC3)C2)CC[N@H+]1C ZINC001031682248 667263913 /nfs/dbraw/zinc/26/39/13/667263913.db2.gz BPZOXMKOBROWLF-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CCCCC3)C2)CC[N@@H+]1C ZINC001031681475 667264419 /nfs/dbraw/zinc/26/44/19/667264419.db2.gz UKEXVFGDYVNCNQ-RHSMWYFYSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CCCCC3)C2)CC[N@H+]1C ZINC001031681475 667264422 /nfs/dbraw/zinc/26/44/22/667264422.db2.gz UKEXVFGDYVNCNQ-RHSMWYFYSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H](CCO)c1cccs1)[NH+]1CCOCC1 ZINC000754383321 667595044 /nfs/dbraw/zinc/59/50/44/667595044.db2.gz JIKRWHPNTSWKCJ-AWEZNQCLSA-N 2 2 355.504 0.988 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000702583060 667751755 /nfs/dbraw/zinc/75/17/55/667751755.db2.gz CVWMHDDNJVYFNE-SFHVURJKSA-N 2 2 367.515 0.639 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000702583060 667751757 /nfs/dbraw/zinc/75/17/57/667751757.db2.gz CVWMHDDNJVYFNE-SFHVURJKSA-N 2 2 367.515 0.639 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnnn3C)C2)O1 ZINC001034274671 667752615 /nfs/dbraw/zinc/75/26/15/667752615.db2.gz UPLVEOPSICHWDY-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnnn3C)C2)O1 ZINC001034274671 667752618 /nfs/dbraw/zinc/75/26/18/667752618.db2.gz UPLVEOPSICHWDY-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cnnn3C)C2)O1 ZINC001034274671 667752621 /nfs/dbraw/zinc/75/26/21/667752621.db2.gz UPLVEOPSICHWDY-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cnnn3C)C2)O1 ZINC001034274671 667752625 /nfs/dbraw/zinc/75/26/25/667752625.db2.gz UPLVEOPSICHWDY-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971670 667772572 /nfs/dbraw/zinc/77/25/72/667772572.db2.gz TYLBPNYIAFNPCM-RBSFLKMASA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971670 667772576 /nfs/dbraw/zinc/77/25/76/667772576.db2.gz TYLBPNYIAFNPCM-RBSFLKMASA-N 2 2 350.467 0.098 20 0 FCADLP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000761073713 667875856 /nfs/dbraw/zinc/87/58/56/667875856.db2.gz HDRXEKCIWOMZJI-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000761073713 667875858 /nfs/dbraw/zinc/87/58/58/667875858.db2.gz HDRXEKCIWOMZJI-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466377 667984344 /nfs/dbraw/zinc/98/43/44/667984344.db2.gz KABSPNVWGRVTCR-IRXDYDNUSA-N 2 2 361.552 0.396 20 0 FCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466377 667984346 /nfs/dbraw/zinc/98/43/46/667984346.db2.gz KABSPNVWGRVTCR-IRXDYDNUSA-N 2 2 361.552 0.396 20 0 FCADLP COCC[N@H+](CCC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000769424800 668131362 /nfs/dbraw/zinc/13/13/62/668131362.db2.gz HSUKUBBMEGCJLD-UHFFFAOYSA-N 2 2 351.451 0.240 20 0 FCADLP COCC[N@@H+](CCC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000769424800 668131364 /nfs/dbraw/zinc/13/13/64/668131364.db2.gz HSUKUBBMEGCJLD-UHFFFAOYSA-N 2 2 351.451 0.240 20 0 FCADLP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000782269791 668552234 /nfs/dbraw/zinc/55/22/34/668552234.db2.gz DIZZJVOIBGLRDA-MRXNPFEDSA-N 2 2 353.463 0.400 20 0 FCADLP CCOCCO[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790368863 668875474 /nfs/dbraw/zinc/87/54/74/668875474.db2.gz KFDCQVBBTRFYEM-FUHWJXTLSA-N 2 2 353.463 0.988 20 0 FCADLP CCOCCO[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790368863 668875476 /nfs/dbraw/zinc/87/54/76/668875476.db2.gz KFDCQVBBTRFYEM-FUHWJXTLSA-N 2 2 353.463 0.988 20 0 FCADLP CON(C)C(=O)CC[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000818979234 668968010 /nfs/dbraw/zinc/96/80/10/668968010.db2.gz XJVQGQATNOUKKO-UHFFFAOYSA-N 2 2 351.447 0.897 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000819078728 668976993 /nfs/dbraw/zinc/97/69/93/668976993.db2.gz YCKMXRMPEOFSGC-YJBOKZPZSA-N 2 2 355.429 0.994 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000819078726 668977000 /nfs/dbraw/zinc/97/70/00/668977000.db2.gz YCKMXRMPEOFSGC-MAUKXSAKSA-N 2 2 355.429 0.994 20 0 FCADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820805285 669130896 /nfs/dbraw/zinc/13/08/96/669130896.db2.gz HUPPQPSONUNATF-ZDUSSCGKSA-N 2 2 350.444 0.883 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOC1CCC1 ZINC000807163945 669475072 /nfs/dbraw/zinc/47/50/72/669475072.db2.gz GSHBOMHRAOFDRW-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOC1CCC1 ZINC000807163945 669475073 /nfs/dbraw/zinc/47/50/73/669475073.db2.gz GSHBOMHRAOFDRW-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CSC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000826661862 669506850 /nfs/dbraw/zinc/50/68/50/669506850.db2.gz DYNYJRAJJAXAKV-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP CS[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000807761738 669513235 /nfs/dbraw/zinc/51/32/35/669513235.db2.gz KASUXSCXVPYDCG-HOCLYGCPSA-N 2 2 370.563 0.871 20 0 FCADLP CS[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000807761738 669513240 /nfs/dbraw/zinc/51/32/40/669513240.db2.gz KASUXSCXVPYDCG-HOCLYGCPSA-N 2 2 370.563 0.871 20 0 FCADLP CN(CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000830768209 669804514 /nfs/dbraw/zinc/80/45/14/669804514.db2.gz ZSXQRYXTBAIPOI-INIZCTEOSA-N 2 2 370.519 0.159 20 0 FCADLP CN(CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000830768209 669804518 /nfs/dbraw/zinc/80/45/18/669804518.db2.gz ZSXQRYXTBAIPOI-INIZCTEOSA-N 2 2 370.519 0.159 20 0 FCADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817978822 670052209 /nfs/dbraw/zinc/05/22/09/670052209.db2.gz FGPLOFAIXMRJAQ-YPMHNXCESA-N 2 2 363.505 0.800 20 0 FCADLP C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346914 670802955 /nfs/dbraw/zinc/80/29/55/670802955.db2.gz KYMVXIUUAKAYDM-VXGBXAGGSA-N 2 2 353.854 0.849 20 0 FCADLP C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346914 670802960 /nfs/dbraw/zinc/80/29/60/670802960.db2.gz KYMVXIUUAKAYDM-VXGBXAGGSA-N 2 2 353.854 0.849 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851209 671154140 /nfs/dbraw/zinc/15/41/40/671154140.db2.gz PJLSNPWMZOSSBI-XJKSGUPXSA-N 2 2 359.492 0.648 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851209 671154149 /nfs/dbraw/zinc/15/41/49/671154149.db2.gz PJLSNPWMZOSSBI-XJKSGUPXSA-N 2 2 359.492 0.648 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851203 671154165 /nfs/dbraw/zinc/15/41/65/671154165.db2.gz PJLSNPWMZOSSBI-BBRMVZONSA-N 2 2 359.492 0.648 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851203 671154170 /nfs/dbraw/zinc/15/41/70/671154170.db2.gz PJLSNPWMZOSSBI-BBRMVZONSA-N 2 2 359.492 0.648 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851207 671154198 /nfs/dbraw/zinc/15/41/98/671154198.db2.gz PJLSNPWMZOSSBI-CZUORRHYSA-N 2 2 359.492 0.648 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851207 671154202 /nfs/dbraw/zinc/15/42/02/671154202.db2.gz PJLSNPWMZOSSBI-CZUORRHYSA-N 2 2 359.492 0.648 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848658300 671288721 /nfs/dbraw/zinc/28/87/21/671288721.db2.gz FBYXGMFCHSSBMK-KRWDZBQOSA-N 2 2 370.563 0.770 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000115825635 671748604 /nfs/dbraw/zinc/74/86/04/671748604.db2.gz DQEIWVLFNHVAJH-HNNXBMFYSA-N 2 2 374.551 0.479 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000115825635 671748606 /nfs/dbraw/zinc/74/86/06/671748606.db2.gz DQEIWVLFNHVAJH-HNNXBMFYSA-N 2 2 374.551 0.479 20 0 FCADLP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608911 675961897 /nfs/dbraw/zinc/96/18/97/675961897.db2.gz STHUXHLFXRJQAB-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608911 675961900 /nfs/dbraw/zinc/96/19/00/675961900.db2.gz STHUXHLFXRJQAB-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740727 675965942 /nfs/dbraw/zinc/96/59/42/675965942.db2.gz KJFKOOVYJJJMHD-ZWKOTPCHSA-N 2 2 352.523 0.093 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119293683 672101740 /nfs/dbraw/zinc/10/17/40/672101740.db2.gz NFQLDNBVRXYCFD-SFHVURJKSA-N 2 2 369.531 0.693 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119293683 672101746 /nfs/dbraw/zinc/10/17/46/672101746.db2.gz NFQLDNBVRXYCFD-SFHVURJKSA-N 2 2 369.531 0.693 20 0 FCADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863571467 672139863 /nfs/dbraw/zinc/13/98/63/672139863.db2.gz YYFSCZHWEUHQBC-HOTGVXAUSA-N 2 2 369.487 0.053 20 0 FCADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863571467 672139866 /nfs/dbraw/zinc/13/98/66/672139866.db2.gz YYFSCZHWEUHQBC-HOTGVXAUSA-N 2 2 369.487 0.053 20 0 FCADLP CC1CC(C[NH+]2CC3(C2)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO3)C1 ZINC001053304872 675993693 /nfs/dbraw/zinc/99/36/93/675993693.db2.gz SDSPCKPJUQASJL-MNAZLIDISA-N 2 2 351.491 0.665 20 0 FCADLP CC1CC(C[NH+]2CC3(C2)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO3)C1 ZINC001053304872 675993695 /nfs/dbraw/zinc/99/36/95/675993695.db2.gz SDSPCKPJUQASJL-MNAZLIDISA-N 2 2 351.491 0.665 20 0 FCADLP CC(C)[C@H](C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)N1CC[NH+](C)CC1 ZINC000865410832 672242113 /nfs/dbraw/zinc/24/21/13/672242113.db2.gz JXKNGGZMHJXIDF-ROUUACIJSA-N 2 2 350.511 0.819 20 0 FCADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870058113 672463851 /nfs/dbraw/zinc/46/38/51/672463851.db2.gz MOUAXYCKONKQCM-GOSISDBHSA-N 2 2 351.491 0.811 20 0 FCADLP O=S(=O)(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[NH2+]CC1 ZINC000923625464 672521709 /nfs/dbraw/zinc/52/17/09/672521709.db2.gz OLYJZWPMNULQKV-UHFFFAOYSA-N 2 2 360.524 0.009 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001000696143 676059087 /nfs/dbraw/zinc/05/90/87/676059087.db2.gz OTYQFEQDGSOMJG-JKSUJKDBSA-N 2 2 357.520 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001000696143 676059088 /nfs/dbraw/zinc/05/90/88/676059088.db2.gz OTYQFEQDGSOMJG-JKSUJKDBSA-N 2 2 357.520 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001000696143 676059089 /nfs/dbraw/zinc/05/90/89/676059089.db2.gz OTYQFEQDGSOMJG-JKSUJKDBSA-N 2 2 357.520 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001000696143 676059090 /nfs/dbraw/zinc/05/90/90/676059090.db2.gz OTYQFEQDGSOMJG-JKSUJKDBSA-N 2 2 357.520 0.510 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000875042552 672822577 /nfs/dbraw/zinc/82/25/77/672822577.db2.gz VXYMHFGXLLEYJZ-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000875042552 672822580 /nfs/dbraw/zinc/82/25/80/672822580.db2.gz VXYMHFGXLLEYJZ-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnns2)CC3)O1 ZINC001050562589 676086185 /nfs/dbraw/zinc/08/61/85/676086185.db2.gz BYQXGWPOIWJYBZ-UKRRQHHQSA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnns2)CC3)O1 ZINC001050562589 676086186 /nfs/dbraw/zinc/08/61/86/676086186.db2.gz BYQXGWPOIWJYBZ-UKRRQHHQSA-N 2 2 365.503 0.682 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000877443052 673014359 /nfs/dbraw/zinc/01/43/59/673014359.db2.gz BQYAHWQRJAOUGE-VYDXJSESSA-N 2 2 350.507 0.953 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(S(N)(=O)=O)c1 ZINC000877521721 673017921 /nfs/dbraw/zinc/01/79/21/673017921.db2.gz BAVFSDCMWRYUFH-UHFFFAOYSA-N 2 2 354.520 0.792 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(S(N)(=O)=O)c1 ZINC000877521721 673017925 /nfs/dbraw/zinc/01/79/25/673017925.db2.gz BAVFSDCMWRYUFH-UHFFFAOYSA-N 2 2 354.520 0.792 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878292552 673053425 /nfs/dbraw/zinc/05/34/25/673053425.db2.gz MMNVANNHSGOUND-IRXDYDNUSA-N 2 2 353.507 0.847 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878292552 673053428 /nfs/dbraw/zinc/05/34/28/673053428.db2.gz MMNVANNHSGOUND-IRXDYDNUSA-N 2 2 353.507 0.847 20 0 FCADLP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)cs1 ZINC001051678780 676108415 /nfs/dbraw/zinc/10/84/15/676108415.db2.gz DTDBJPMAMAOKAE-UHOFOFEASA-N 2 2 368.503 0.488 20 0 FCADLP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)cs1 ZINC001051678780 676108416 /nfs/dbraw/zinc/10/84/16/676108416.db2.gz DTDBJPMAMAOKAE-UHOFOFEASA-N 2 2 368.503 0.488 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccs3)C2)O1 ZINC001051679828 676108620 /nfs/dbraw/zinc/10/86/20/676108620.db2.gz JEEWJRAKXWIYGB-MGPQQGTHSA-N 2 2 354.476 0.179 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nccs3)C2)O1 ZINC001051679828 676108623 /nfs/dbraw/zinc/10/86/23/676108623.db2.gz JEEWJRAKXWIYGB-MGPQQGTHSA-N 2 2 354.476 0.179 20 0 FCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC001051729096 676109805 /nfs/dbraw/zinc/10/98/05/676109805.db2.gz GTWFMBBAHTXJPU-IKGGRYGDSA-N 2 2 355.479 0.092 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CCOC)CC3)C2)CC[N@@H+]1C ZINC001052030998 676113138 /nfs/dbraw/zinc/11/31/38/676113138.db2.gz AWLLSNLUDYSKIJ-FGTMMUONSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CCOC)CC3)C2)CC[N@H+]1C ZINC001052030998 676113140 /nfs/dbraw/zinc/11/31/40/676113140.db2.gz AWLLSNLUDYSKIJ-FGTMMUONSA-N 2 2 352.523 0.582 20 0 FCADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000881844622 673249706 /nfs/dbraw/zinc/24/97/06/673249706.db2.gz ZKGQZQXCYXQFNN-HZPDHXFCSA-N 2 2 365.499 0.816 20 0 FCADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000881844622 673249710 /nfs/dbraw/zinc/24/97/10/673249710.db2.gz ZKGQZQXCYXQFNN-HZPDHXFCSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000881844622 673249712 /nfs/dbraw/zinc/24/97/12/673249712.db2.gz ZKGQZQXCYXQFNN-HZPDHXFCSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000881844622 673249715 /nfs/dbraw/zinc/24/97/15/673249715.db2.gz ZKGQZQXCYXQFNN-HZPDHXFCSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000882616538 673324344 /nfs/dbraw/zinc/32/43/44/673324344.db2.gz FHRIHFFDLRFSBO-UHFFFAOYSA-N 2 2 372.535 0.216 20 0 FCADLP COC(=O)N1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000883370972 673372110 /nfs/dbraw/zinc/37/21/10/673372110.db2.gz WCWOAIKMJHLLES-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(OCCC[NH+]1CCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000800218519 673423621 /nfs/dbraw/zinc/42/36/21/673423621.db2.gz UMMZOKDMWABFSW-INIZCTEOSA-N 2 2 353.463 0.196 20 0 FCADLP [NH3+]Cc1ocnc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000884104835 673426876 /nfs/dbraw/zinc/42/68/76/673426876.db2.gz WPZRXMFTEOHONX-UHFFFAOYSA-N 2 2 350.341 0.860 20 0 FCADLP [NH3+]C1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000884976946 673495492 /nfs/dbraw/zinc/49/54/92/673495492.db2.gz FJVXRWPRZRBOTH-UHFFFAOYSA-N 2 2 363.487 0.201 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755277 673685993 /nfs/dbraw/zinc/68/59/93/673685993.db2.gz FIPIIJDIWYBNRI-SQNIBIBYSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755277 673685995 /nfs/dbraw/zinc/68/59/95/673685995.db2.gz FIPIIJDIWYBNRI-SQNIBIBYSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000889755277 673685996 /nfs/dbraw/zinc/68/59/96/673685996.db2.gz FIPIIJDIWYBNRI-SQNIBIBYSA-N 2 2 351.491 0.687 20 0 FCADLP C[C@@H]1COC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924723010 673761722 /nfs/dbraw/zinc/76/17/22/673761722.db2.gz JHXLRCYQPNKVES-CABCVRRESA-N 2 2 354.476 0.158 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000925485573 673792966 /nfs/dbraw/zinc/79/29/66/673792966.db2.gz NPZJEZLDLUGNSA-CVEARBPZSA-N 2 2 367.519 0.264 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000925611913 673796968 /nfs/dbraw/zinc/79/69/68/673796968.db2.gz NYDKOIKDQWPLFM-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000927632506 673871261 /nfs/dbraw/zinc/87/12/61/673871261.db2.gz FWUOKYVIVWZGPE-IRXDYDNUSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000927632506 673871265 /nfs/dbraw/zinc/87/12/65/673871265.db2.gz FWUOKYVIVWZGPE-IRXDYDNUSA-N 2 2 352.479 0.356 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000930008603 673992288 /nfs/dbraw/zinc/99/22/88/673992288.db2.gz FSKPODYXDZVKPP-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000930008603 673992290 /nfs/dbraw/zinc/99/22/90/673992290.db2.gz FSKPODYXDZVKPP-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000930008603 673992293 /nfs/dbraw/zinc/99/22/93/673992293.db2.gz FSKPODYXDZVKPP-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000930008603 673992294 /nfs/dbraw/zinc/99/22/94/673992294.db2.gz FSKPODYXDZVKPP-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287153 675439475 /nfs/dbraw/zinc/43/94/75/675439475.db2.gz UYUUREWROPEGGL-XKVFNRALSA-N 2 2 350.467 0.062 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287153 675439478 /nfs/dbraw/zinc/43/94/78/675439478.db2.gz UYUUREWROPEGGL-XKVFNRALSA-N 2 2 350.467 0.062 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001020287689 675439858 /nfs/dbraw/zinc/43/98/58/675439858.db2.gz GOVHSHCOCAPTRE-AAVRWANBSA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001020287689 675439859 /nfs/dbraw/zinc/43/98/59/675439859.db2.gz GOVHSHCOCAPTRE-AAVRWANBSA-N 2 2 351.451 0.649 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287756 675439864 /nfs/dbraw/zinc/43/98/64/675439864.db2.gz JRBLFPLKMOFREM-KBUPBQIOSA-N 2 2 350.467 0.144 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287756 675439865 /nfs/dbraw/zinc/43/98/65/675439865.db2.gz JRBLFPLKMOFREM-KBUPBQIOSA-N 2 2 350.467 0.144 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038267188 675443088 /nfs/dbraw/zinc/44/30/88/675443088.db2.gz YEPHQHDRGFUZIY-RBSFLKMASA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001038267188 675443090 /nfs/dbraw/zinc/44/30/90/675443090.db2.gz YEPHQHDRGFUZIY-RBSFLKMASA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038267188 675443091 /nfs/dbraw/zinc/44/30/91/675443091.db2.gz YEPHQHDRGFUZIY-RBSFLKMASA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001038267188 675443092 /nfs/dbraw/zinc/44/30/92/675443092.db2.gz YEPHQHDRGFUZIY-RBSFLKMASA-N 2 2 352.504 0.749 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1CC1CCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001038541550 675445078 /nfs/dbraw/zinc/44/50/78/675445078.db2.gz UNZIHHKAMNLNBO-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1CC1CCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001038541550 675445080 /nfs/dbraw/zinc/44/50/80/675445080.db2.gz UNZIHHKAMNLNBO-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000900614558 675699992 /nfs/dbraw/zinc/69/99/92/675699992.db2.gz POWLTZXCBMVDGA-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000900614558 675699994 /nfs/dbraw/zinc/69/99/94/675699994.db2.gz POWLTZXCBMVDGA-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000900963672 675735493 /nfs/dbraw/zinc/73/54/93/675735493.db2.gz BSTXRUPIXIHMNW-SFHVURJKSA-N 2 2 352.523 0.583 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386448 675796130 /nfs/dbraw/zinc/79/61/30/675796130.db2.gz TWIOVMUYFVTCDN-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2O)CC[N@H+]1C ZINC001047386448 675796132 /nfs/dbraw/zinc/79/61/32/675796132.db2.gz TWIOVMUYFVTCDN-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)CC[NH+]1C ZINC001047386448 675796134 /nfs/dbraw/zinc/79/61/34/675796134.db2.gz TWIOVMUYFVTCDN-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)CC[NH+]1C ZINC001047386448 675796138 /nfs/dbraw/zinc/79/61/38/675796138.db2.gz TWIOVMUYFVTCDN-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CCCn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020604093 1168150045 /nfs/dbraw/zinc/15/00/45/1168150045.db2.gz XDGSOHMWMZBQIE-AAVRWANBSA-N 2 2 358.450 0.357 20 0 FCADLP COc1ncccc1C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969957343 1168237450 /nfs/dbraw/zinc/23/74/50/1168237450.db2.gz FBJDAEYYXKAORD-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969957343 1168237457 /nfs/dbraw/zinc/23/74/57/1168237457.db2.gz FBJDAEYYXKAORD-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001690977478 1168334597 /nfs/dbraw/zinc/33/45/97/1168334597.db2.gz BQLLOSYWTDMPRW-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001690977478 1168334607 /nfs/dbraw/zinc/33/46/07/1168334607.db2.gz BQLLOSYWTDMPRW-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001690977478 1168334613 /nfs/dbraw/zinc/33/46/13/1168334613.db2.gz BQLLOSYWTDMPRW-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001690977478 1168334622 /nfs/dbraw/zinc/33/46/22/1168334622.db2.gz BQLLOSYWTDMPRW-MSOLQXFVSA-N 2 2 360.502 0.858 20 0 FCADLP Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001125327655 1168446581 /nfs/dbraw/zinc/44/65/81/1168446581.db2.gz WYAQZJBAXRLJRY-FVQBIDKESA-N 2 2 365.478 0.068 20 0 FCADLP Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001125327655 1168446585 /nfs/dbraw/zinc/44/65/85/1168446585.db2.gz WYAQZJBAXRLJRY-FVQBIDKESA-N 2 2 365.478 0.068 20 0 FCADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970458520 1168889166 /nfs/dbraw/zinc/88/91/66/1168889166.db2.gz AZWHTSVBFZCXHT-OLMNPRSZSA-N 2 2 358.486 0.514 20 0 FCADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970458520 1168889167 /nfs/dbraw/zinc/88/91/67/1168889167.db2.gz AZWHTSVBFZCXHT-OLMNPRSZSA-N 2 2 358.486 0.514 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC001021489455 1169464432 /nfs/dbraw/zinc/46/44/32/1169464432.db2.gz VZALNGZYGHYBSU-HRCADAONSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC001021489455 1169464439 /nfs/dbraw/zinc/46/44/39/1169464439.db2.gz VZALNGZYGHYBSU-HRCADAONSA-N 2 2 359.474 0.743 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021490659 1169471475 /nfs/dbraw/zinc/47/14/75/1169471475.db2.gz PPCBLJWMFNTCLW-GVDBMIGSSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC[N@@H+]1C ZINC000988659859 1192372451 /nfs/dbraw/zinc/37/24/51/1192372451.db2.gz DGNWGXGSVHCGTE-RHSMWYFYSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC[N@H+]1C ZINC000988659859 1192372456 /nfs/dbraw/zinc/37/24/56/1192372456.db2.gz DGNWGXGSVHCGTE-RHSMWYFYSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@H](CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21)n1cc[nH+]c1 ZINC001083209334 1169852991 /nfs/dbraw/zinc/85/29/91/1169852991.db2.gz BIDGMNICRFZFQP-IXDOHACOSA-N 2 2 358.446 0.643 20 0 FCADLP C[C@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21)n1cc[nH+]c1 ZINC001083209334 1169852993 /nfs/dbraw/zinc/85/29/93/1169852993.db2.gz BIDGMNICRFZFQP-IXDOHACOSA-N 2 2 358.446 0.643 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC1 ZINC001021636474 1169855800 /nfs/dbraw/zinc/85/58/00/1169855800.db2.gz QSTKNLCKKSXNJO-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021745059 1169967461 /nfs/dbraw/zinc/96/74/61/1169967461.db2.gz CUKBRKBKWRGHHI-YESZJQIVSA-N 2 2 357.458 0.284 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021750632 1169977636 /nfs/dbraw/zinc/97/76/36/1169977636.db2.gz AJGVRCBXNCAVNF-RCCFBDPRSA-N 2 2 371.485 0.674 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751860 1169980829 /nfs/dbraw/zinc/98/08/29/1169980829.db2.gz NPLNRAGITKYWQK-ARFHVFGLSA-N 2 2 357.458 0.353 20 0 FCADLP CCn1ccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141102 1170009088 /nfs/dbraw/zinc/00/90/88/1170009088.db2.gz BLYQOXZAKRYROU-IXDOHACOSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141102 1170009094 /nfs/dbraw/zinc/00/90/94/1170009094.db2.gz BLYQOXZAKRYROU-IXDOHACOSA-N 2 2 363.506 0.950 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)nn1C ZINC001087141220 1170009188 /nfs/dbraw/zinc/00/91/88/1170009188.db2.gz FMCWEWUJKIVGDK-JLSDUUJJSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)nn1C ZINC001087141220 1170009194 /nfs/dbraw/zinc/00/91/94/1170009194.db2.gz FMCWEWUJKIVGDK-JLSDUUJJSA-N 2 2 363.506 0.776 20 0 FCADLP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345383 1170126525 /nfs/dbraw/zinc/12/65/25/1170126525.db2.gz GCAXIHPWVOHGEW-BFYDXBDKSA-N 2 2 365.474 0.714 20 0 FCADLP CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276221555 1170360741 /nfs/dbraw/zinc/36/07/41/1170360741.db2.gz DNZQEEIUSRVKDI-GJZGRUSLSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276221555 1170360746 /nfs/dbraw/zinc/36/07/46/1170360746.db2.gz DNZQEEIUSRVKDI-GJZGRUSLSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(=O)[nH]1 ZINC000276221555 1170360751 /nfs/dbraw/zinc/36/07/51/1170360751.db2.gz DNZQEEIUSRVKDI-GJZGRUSLSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc(=O)[nH]1 ZINC000276221555 1170360758 /nfs/dbraw/zinc/36/07/58/1170360758.db2.gz DNZQEEIUSRVKDI-GJZGRUSLSA-N 2 2 362.478 0.375 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022035953 1170449633 /nfs/dbraw/zinc/44/96/33/1170449633.db2.gz ZGHPDMKONRFQMH-DOTOQJQBSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104365659 1170580574 /nfs/dbraw/zinc/58/05/74/1170580574.db2.gz TXJYXTHKNFICJH-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000891449013 1170586990 /nfs/dbraw/zinc/58/69/90/1170586990.db2.gz ZEXLTQVVVOKXDH-JCNLHEQBSA-N 2 2 362.474 0.934 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022095313 1170618657 /nfs/dbraw/zinc/61/86/57/1170618657.db2.gz OMKVDAWRAVBRCV-LJIZCISZSA-N 2 2 357.458 0.279 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022210586 1170749085 /nfs/dbraw/zinc/74/90/85/1170749085.db2.gz FMJUDCFJLXJQSU-YQQAZPJKSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022210586 1170749101 /nfs/dbraw/zinc/74/91/01/1170749101.db2.gz FMJUDCFJLXJQSU-YQQAZPJKSA-N 2 2 359.474 0.662 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022231129 1170790310 /nfs/dbraw/zinc/79/03/10/1170790310.db2.gz QDSFYPHMKMSMFR-IPQWEPCOSA-N 2 2 357.458 0.903 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022231129 1170790322 /nfs/dbraw/zinc/79/03/22/1170790322.db2.gz QDSFYPHMKMSMFR-IPQWEPCOSA-N 2 2 357.458 0.903 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)CCC1 ZINC001022251092 1170806261 /nfs/dbraw/zinc/80/62/61/1170806261.db2.gz CGTQDOBVNXXWTR-JKSUJKDBSA-N 2 2 359.474 0.817 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001022251273 1170806526 /nfs/dbraw/zinc/80/65/26/1170806526.db2.gz HXUBMZUBQVJMHD-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP COc1ncccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781657 1170823322 /nfs/dbraw/zinc/82/33/22/1170823322.db2.gz LPHRTOVSCYTHHR-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781657 1170823324 /nfs/dbraw/zinc/82/33/24/1170823324.db2.gz LPHRTOVSCYTHHR-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781657 1170823325 /nfs/dbraw/zinc/82/33/25/1170823325.db2.gz LPHRTOVSCYTHHR-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781657 1170823326 /nfs/dbraw/zinc/82/33/26/1170823326.db2.gz LPHRTOVSCYTHHR-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)O1 ZINC001022276089 1170823897 /nfs/dbraw/zinc/82/38/97/1170823897.db2.gz ZRDMLSZCXBFCLL-HGTKMLMNSA-N 2 2 364.494 0.489 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)O1 ZINC001022276089 1170823899 /nfs/dbraw/zinc/82/38/99/1170823899.db2.gz ZRDMLSZCXBFCLL-HGTKMLMNSA-N 2 2 364.494 0.489 20 0 FCADLP CCCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276290 1170824185 /nfs/dbraw/zinc/82/41/85/1170824185.db2.gz FHJZOYUREYUEDF-DMRZNYOFSA-N 2 2 364.494 0.452 20 0 FCADLP CCCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276290 1170824186 /nfs/dbraw/zinc/82/41/86/1170824186.db2.gz FHJZOYUREYUEDF-DMRZNYOFSA-N 2 2 364.494 0.452 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)n3C)C2)O1 ZINC001022277097 1170824765 /nfs/dbraw/zinc/82/47/65/1170824765.db2.gz VYOUCFMPTPVFNV-REBRKWNGSA-N 2 2 362.478 0.148 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)n3C)C2)O1 ZINC001022277097 1170824767 /nfs/dbraw/zinc/82/47/67/1170824767.db2.gz VYOUCFMPTPVFNV-REBRKWNGSA-N 2 2 362.478 0.148 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001691235959 1170877419 /nfs/dbraw/zinc/87/74/19/1170877419.db2.gz UOYNQKJDGGAEDG-RRFJBIMHSA-N 2 2 368.503 0.365 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001691258701 1170926725 /nfs/dbraw/zinc/92/67/25/1170926725.db2.gz LFRIBGIKRWEVHQ-UONOGXRCSA-N 2 2 357.462 0.955 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001087181479 1171037234 /nfs/dbraw/zinc/03/72/34/1171037234.db2.gz UHNICMVZCBFULL-WCXIOVBPSA-N 2 2 363.506 0.856 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001087181479 1171037241 /nfs/dbraw/zinc/03/72/41/1171037241.db2.gz UHNICMVZCBFULL-WCXIOVBPSA-N 2 2 363.506 0.856 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC000988757270 1192443814 /nfs/dbraw/zinc/44/38/14/1192443814.db2.gz SQGMKJUCNQGEGO-LVQVYYBASA-N 2 2 363.462 0.016 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC000988757270 1192443826 /nfs/dbraw/zinc/44/38/26/1192443826.db2.gz SQGMKJUCNQGEGO-LVQVYYBASA-N 2 2 363.462 0.016 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H]1CCC[NH2+]Cc1cnon1 ZINC001691394402 1171261904 /nfs/dbraw/zinc/26/19/04/1171261904.db2.gz FSVALIYQMJCOPF-DJIMGWMZSA-N 2 2 365.478 0.897 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H]1CCC[NH2+]Cc1cnon1 ZINC001691394402 1171261916 /nfs/dbraw/zinc/26/19/16/1171261916.db2.gz FSVALIYQMJCOPF-DJIMGWMZSA-N 2 2 365.478 0.897 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1)c1nnnn1C ZINC001087196493 1171519024 /nfs/dbraw/zinc/51/90/24/1171519024.db2.gz SOENOMZPIYKJIM-ILXRZTDVSA-N 2 2 360.466 0.775 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[NH+]2CCC(O)CC2)cn1 ZINC000892197270 1171729108 /nfs/dbraw/zinc/72/91/08/1171729108.db2.gz KPRUJZWPXASEQE-UHFFFAOYSA-N 2 2 358.446 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001022735942 1171839583 /nfs/dbraw/zinc/83/95/83/1171839583.db2.gz KDGJKTUYIQTKPP-IEHFGQBSSA-N 2 2 371.485 0.914 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083248466 1172008684 /nfs/dbraw/zinc/00/86/84/1172008684.db2.gz IJMXPPDOHKAINC-ZWKOTPCHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083248466 1172008688 /nfs/dbraw/zinc/00/86/88/1172008688.db2.gz IJMXPPDOHKAINC-ZWKOTPCHSA-N 2 2 362.474 0.691 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022842175 1172054110 /nfs/dbraw/zinc/05/41/10/1172054110.db2.gz BKFXIWIWCAXFCI-USXIJHARSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022842175 1172054118 /nfs/dbraw/zinc/05/41/18/1172054118.db2.gz BKFXIWIWCAXFCI-USXIJHARSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH+]ccn4C)C[C@H]32)CC[N@@H+]1C ZINC000972415317 1172098625 /nfs/dbraw/zinc/09/86/25/1172098625.db2.gz RNDZPIKASMBQID-QBPKDAKJSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH+]ccn4C)C[C@H]32)CC[N@H+]1C ZINC000972415317 1172098634 /nfs/dbraw/zinc/09/86/34/1172098634.db2.gz RNDZPIKASMBQID-QBPKDAKJSA-N 2 2 373.501 0.752 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000988990868 1192617196 /nfs/dbraw/zinc/61/71/96/1192617196.db2.gz PNVCGPAYYBWOFB-CVEARBPZSA-N 2 2 363.462 0.019 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000989061168 1192666828 /nfs/dbraw/zinc/66/68/28/1192666828.db2.gz KZVTYXNKNNRRAP-VYDXJSESSA-N 2 2 371.485 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000989062442 1192667743 /nfs/dbraw/zinc/66/77/43/1192667743.db2.gz WWBRVXFWUIUYNH-PMPSAXMXSA-N 2 2 371.485 0.647 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000989181575 1192728188 /nfs/dbraw/zinc/72/81/88/1192728188.db2.gz FYVGQAOFXGJVFX-ZJIFWQFVSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000989181575 1192728191 /nfs/dbraw/zinc/72/81/91/1192728191.db2.gz FYVGQAOFXGJVFX-ZJIFWQFVSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088674735 1192816895 /nfs/dbraw/zinc/81/68/95/1192816895.db2.gz VTAFMWCLLSYSRU-VYDXJSESSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCN1CCCC1=O ZINC001088674735 1192816897 /nfs/dbraw/zinc/81/68/97/1192816897.db2.gz VTAFMWCLLSYSRU-VYDXJSESSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088679460 1192818392 /nfs/dbraw/zinc/81/83/92/1192818392.db2.gz QKRGWMQNQZQWAQ-VYDXJSESSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCN1CCCC1=O ZINC001088679460 1192818393 /nfs/dbraw/zinc/81/83/93/1192818393.db2.gz QKRGWMQNQZQWAQ-VYDXJSESSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088679324 1192818406 /nfs/dbraw/zinc/81/84/06/1192818406.db2.gz MGAILRPATWJCTK-PMPSAXMXSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCN1CCCC1=O ZINC001088679324 1192818408 /nfs/dbraw/zinc/81/84/08/1192818408.db2.gz MGAILRPATWJCTK-PMPSAXMXSA-N 2 2 359.474 0.647 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)C1 ZINC000989385594 1192825903 /nfs/dbraw/zinc/82/59/03/1192825903.db2.gz JLTXPEOERXBBTN-KBMXLJTQSA-N 2 2 363.462 0.167 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)C1 ZINC000989385594 1192825905 /nfs/dbraw/zinc/82/59/05/1192825905.db2.gz JLTXPEOERXBBTN-KBMXLJTQSA-N 2 2 363.462 0.167 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000898017167 1192855123 /nfs/dbraw/zinc/85/51/23/1192855123.db2.gz KDSYNFAFFUBFSB-LSDHHAIUSA-N 2 2 368.441 0.446 20 0 FCADLP CN1C(=O)C(=C(N)NOCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C(=[NH2+])C12CCCC2 ZINC000842023460 1192857435 /nfs/dbraw/zinc/85/74/35/1192857435.db2.gz HXPKAINISJMSED-BETUJISGSA-N 2 2 363.462 0.346 20 0 FCADLP CN1C(=O)C(=C(N)NOCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C(=[NH2+])C12CCCC2 ZINC000842023460 1192857436 /nfs/dbraw/zinc/85/74/36/1192857436.db2.gz HXPKAINISJMSED-BETUJISGSA-N 2 2 363.462 0.346 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001691761299 1179510133 /nfs/dbraw/zinc/51/01/33/1179510133.db2.gz UODPOHWYDVQJCF-DAYGRLMNSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001691761299 1179510147 /nfs/dbraw/zinc/51/01/47/1179510147.db2.gz UODPOHWYDVQJCF-DAYGRLMNSA-N 2 2 361.490 0.832 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001083262281 1179898181 /nfs/dbraw/zinc/89/81/81/1179898181.db2.gz MYVKZQWQDDMDSR-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001083262281 1179898184 /nfs/dbraw/zinc/89/81/84/1179898184.db2.gz MYVKZQWQDDMDSR-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001087245909 1179958181 /nfs/dbraw/zinc/95/81/81/1179958181.db2.gz PZVDHMKGPSTQCN-CABCVRRESA-N 2 2 364.494 0.948 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)N(CC)CC ZINC001691466012 1180093523 /nfs/dbraw/zinc/09/35/23/1180093523.db2.gz PUQVYMORLTVNRM-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(=O)N(CC)CC ZINC001691466012 1180093529 /nfs/dbraw/zinc/09/35/29/1180093529.db2.gz PUQVYMORLTVNRM-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(=O)N(CC)CC ZINC001691466012 1180093536 /nfs/dbraw/zinc/09/35/36/1180093536.db2.gz PUQVYMORLTVNRM-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(=O)N(CC)CC ZINC001691466012 1180093541 /nfs/dbraw/zinc/09/35/41/1180093541.db2.gz PUQVYMORLTVNRM-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21)C1CC1 ZINC000972648695 1180188429 /nfs/dbraw/zinc/18/84/29/1180188429.db2.gz HZCIHXISXMEQFQ-QGPMSJSTSA-N 2 2 359.474 0.742 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21)C1CC1 ZINC000972648695 1180188433 /nfs/dbraw/zinc/18/84/33/1180188433.db2.gz HZCIHXISXMEQFQ-QGPMSJSTSA-N 2 2 359.474 0.742 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21)C1CC1 ZINC000972648691 1180188562 /nfs/dbraw/zinc/18/85/62/1180188562.db2.gz HZCIHXISXMEQFQ-KYJSFNMBSA-N 2 2 359.474 0.742 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21)C1CC1 ZINC000972648691 1180188564 /nfs/dbraw/zinc/18/85/64/1180188564.db2.gz HZCIHXISXMEQFQ-KYJSFNMBSA-N 2 2 359.474 0.742 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21)C1CCC1 ZINC000972738182 1180684359 /nfs/dbraw/zinc/68/43/59/1180684359.db2.gz RYGSKVCJQIRSOT-NVXWUHKLSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21)C1CCC1 ZINC000972738182 1180684370 /nfs/dbraw/zinc/68/43/70/1180684370.db2.gz RYGSKVCJQIRSOT-NVXWUHKLSA-N 2 2 359.474 0.817 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC000972738842 1180685381 /nfs/dbraw/zinc/68/53/81/1180685381.db2.gz IFFWBWNGWZGEQQ-RHSMWYFYSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC000972738842 1180685391 /nfs/dbraw/zinc/68/53/91/1180685391.db2.gz IFFWBWNGWZGEQQ-RHSMWYFYSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[nH]1 ZINC001087259883 1180756388 /nfs/dbraw/zinc/75/63/88/1180756388.db2.gz LCEFBEIQFWTJPN-ZIAGYGMSSA-N 2 2 356.430 0.835 20 0 FCADLP Cc1ncc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001024505502 1181258959 /nfs/dbraw/zinc/25/89/59/1181258959.db2.gz FEDFLJKQGGULRO-ZTFGCOKTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024505502 1181258963 /nfs/dbraw/zinc/25/89/63/1181258963.db2.gz FEDFLJKQGGULRO-ZTFGCOKTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024505502 1181258970 /nfs/dbraw/zinc/25/89/70/1181258970.db2.gz FEDFLJKQGGULRO-ZTFGCOKTSA-N 2 2 361.490 0.975 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)cc1 ZINC001024676190 1181460455 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362.474 0.982 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)no1 ZINC001088012060 1190211139 /nfs/dbraw/zinc/21/11/39/1190211139.db2.gz QEOUKRLGUYVNGS-XLMAVXFVSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)no1 ZINC001088012060 1190211142 /nfs/dbraw/zinc/21/11/42/1190211142.db2.gz QEOUKRLGUYVNGS-XLMAVXFVSA-N 2 2 362.474 0.982 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]2C1 ZINC001088037334 1190291371 /nfs/dbraw/zinc/29/13/71/1190291371.db2.gz HGBNKPCGUKYHQI-CABCVRRESA-N 2 2 368.441 0.407 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]2C1 ZINC001088037334 1190291374 /nfs/dbraw/zinc/29/13/74/1190291374.db2.gz HGBNKPCGUKYHQI-CABCVRRESA-N 2 2 368.441 0.407 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043272 1190302662 /nfs/dbraw/zinc/30/26/62/1190302662.db2.gz JHURHAHMSAPHPQ-ZNMIVQPWSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]2C1 ZINC001088043272 1190302666 /nfs/dbraw/zinc/30/26/66/1190302666.db2.gz JHURHAHMSAPHPQ-ZNMIVQPWSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050590 1190309918 /nfs/dbraw/zinc/30/99/18/1190309918.db2.gz NCARWXXZSGFQMZ-OAGGEKHMSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050590 1190309928 /nfs/dbraw/zinc/30/99/28/1190309928.db2.gz NCARWXXZSGFQMZ-OAGGEKHMSA-N 2 2 361.490 0.610 20 0 FCADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088053535 1190318217 /nfs/dbraw/zinc/31/82/17/1190318217.db2.gz MPAIOVAORDKAAB-CEXWTWQISA-N 2 2 365.518 0.650 20 0 FCADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088053535 1190318223 /nfs/dbraw/zinc/31/82/23/1190318223.db2.gz MPAIOVAORDKAAB-CEXWTWQISA-N 2 2 365.518 0.650 20 0 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/nfs/dbraw/zinc/88/56/89/1193885689.db2.gz JQSGXUWUBKPZFJ-YESZJQIVSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075965947 1193885692 /nfs/dbraw/zinc/88/56/92/1193885692.db2.gz JQSGXUWUBKPZFJ-YESZJQIVSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075968382 1193886443 /nfs/dbraw/zinc/88/64/43/1193886443.db2.gz DRVCBUUOKKPXCY-ZMSDIMECSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075968382 1193886445 /nfs/dbraw/zinc/88/64/45/1193886445.db2.gz DRVCBUUOKKPXCY-ZMSDIMECSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075968543 1193886538 /nfs/dbraw/zinc/88/65/38/1193886538.db2.gz GVOGBONLDXBKAW-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075968543 1193886540 /nfs/dbraw/zinc/88/65/40/1193886540.db2.gz GVOGBONLDXBKAW-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H](O)C2)o1 ZINC001083475079 1193907767 /nfs/dbraw/zinc/90/77/67/1193907767.db2.gz QQCUGBSEJXXXIE-JJXSEGSLSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H](O)C2)o1 ZINC001083475079 1193907771 /nfs/dbraw/zinc/90/77/71/1193907771.db2.gz QQCUGBSEJXXXIE-JJXSEGSLSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H](O)C2)o1 ZINC001083475079 1193907774 /nfs/dbraw/zinc/90/77/74/1193907774.db2.gz QQCUGBSEJXXXIE-JJXSEGSLSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H](O)C2)o1 ZINC001083475079 1193907779 /nfs/dbraw/zinc/90/77/79/1193907779.db2.gz QQCUGBSEJXXXIE-JJXSEGSLSA-N 2 2 364.490 0.937 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083478156 1193925670 /nfs/dbraw/zinc/92/56/70/1193925670.db2.gz XQCLXHLOCGMQIT-BBWFWOEESA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083478156 1193925675 /nfs/dbraw/zinc/92/56/75/1193925675.db2.gz XQCLXHLOCGMQIT-BBWFWOEESA-N 2 2 362.474 0.492 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748837 1193950146 /nfs/dbraw/zinc/95/01/46/1193950146.db2.gz KKSAYLSRXKMXMH-IRXDYDNUSA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748837 1193950149 /nfs/dbraw/zinc/95/01/49/1193950149.db2.gz KKSAYLSRXKMXMH-IRXDYDNUSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994813 1193950750 /nfs/dbraw/zinc/95/07/50/1193950750.db2.gz JPOYAWDDCHOWHV-UKPHBRMFSA-N 2 2 355.442 0.957 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994813 1193950752 /nfs/dbraw/zinc/95/07/52/1193950752.db2.gz JPOYAWDDCHOWHV-UKPHBRMFSA-N 2 2 355.442 0.957 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000552845500 1193954969 /nfs/dbraw/zinc/95/49/69/1193954969.db2.gz CMDITKKDBPQYTR-MRXNPFEDSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000552845500 1193954972 /nfs/dbraw/zinc/95/49/72/1193954972.db2.gz CMDITKKDBPQYTR-MRXNPFEDSA-N 2 2 370.497 0.856 20 0 FCADLP O=C(NCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553177793 1193978335 /nfs/dbraw/zinc/97/83/35/1193978335.db2.gz QIERIQXHHOKDEZ-CQSZACIVSA-N 2 2 359.474 0.969 20 0 FCADLP O=C(NCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000553177793 1193978339 /nfs/dbraw/zinc/97/83/39/1193978339.db2.gz QIERIQXHHOKDEZ-CQSZACIVSA-N 2 2 359.474 0.969 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000553355705 1193992261 /nfs/dbraw/zinc/99/22/61/1193992261.db2.gz JFKOVGJAGIZCMD-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000553355705 1193992264 /nfs/dbraw/zinc/99/22/64/1193992264.db2.gz JFKOVGJAGIZCMD-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000553355705 1193992268 /nfs/dbraw/zinc/99/22/68/1193992268.db2.gz JFKOVGJAGIZCMD-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000553355705 1193992272 /nfs/dbraw/zinc/99/22/72/1193992272.db2.gz JFKOVGJAGIZCMD-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000553484570 1194002689 /nfs/dbraw/zinc/00/26/89/1194002689.db2.gz UAZDJAGVUOMZTA-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001218645173 1224188416 /nfs/dbraw/zinc/18/84/16/1224188416.db2.gz FTSNFESJCTXSQL-RBUKOAKNSA-N 2 2 361.486 0.455 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCO[C@@H]2C[NH+](CCCO)C[C@@H]21 ZINC001218645173 1224188422 /nfs/dbraw/zinc/18/84/22/1224188422.db2.gz FTSNFESJCTXSQL-RBUKOAKNSA-N 2 2 361.486 0.455 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001218645173 1224188426 /nfs/dbraw/zinc/18/84/26/1224188426.db2.gz FTSNFESJCTXSQL-RBUKOAKNSA-N 2 2 361.486 0.455 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001218645173 1224188431 /nfs/dbraw/zinc/18/84/31/1224188431.db2.gz FTSNFESJCTXSQL-RBUKOAKNSA-N 2 2 361.486 0.455 20 0 FCADLP C[NH+]1CC(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)C1 ZINC001142594658 1194081723 /nfs/dbraw/zinc/08/17/23/1194081723.db2.gz UHFCNPLZSZJYBN-UHFFFAOYSA-N 2 2 356.470 0.541 20 0 FCADLP C[NH+]1CC(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)C1 ZINC001142594658 1194081726 /nfs/dbraw/zinc/08/17/26/1194081726.db2.gz UHFCNPLZSZJYBN-UHFFFAOYSA-N 2 2 356.470 0.541 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000842194647 1194087170 /nfs/dbraw/zinc/08/71/70/1194087170.db2.gz SGXRXPRLWNCOMM-INIZCTEOSA-N 2 2 373.501 0.706 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765743 1194116938 /nfs/dbraw/zinc/11/69/38/1194116938.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765743 1194116941 /nfs/dbraw/zinc/11/69/41/1194116941.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765743 1194116946 /nfs/dbraw/zinc/11/69/46/1194116946.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765743 1194116949 /nfs/dbraw/zinc/11/69/49/1194116949.db2.gz SXZBKNHTBQHVDE-ZXTQRBJTSA-N 2 2 362.478 0.062 20 0 FCADLP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000899173374 1194119213 /nfs/dbraw/zinc/11/92/13/1194119213.db2.gz PVWAOAKXMVDSAH-UHFFFAOYSA-N 2 2 359.474 0.274 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001142628814 1194145179 /nfs/dbraw/zinc/14/51/79/1194145179.db2.gz MGNUGHIJXNFTMJ-INIZCTEOSA-N 2 2 355.446 0.740 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083523422 1194146076 /nfs/dbraw/zinc/14/60/76/1194146076.db2.gz CPLKYVQXKDGSTD-ZACQAIPSSA-N 2 2 355.442 0.825 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083523422 1194146078 /nfs/dbraw/zinc/14/60/78/1194146078.db2.gz CPLKYVQXKDGSTD-ZACQAIPSSA-N 2 2 355.442 0.825 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000899970690 1194230116 /nfs/dbraw/zinc/23/01/16/1194230116.db2.gz WYTGOWJDODQWJQ-IRXDYDNUSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000899970690 1194230119 /nfs/dbraw/zinc/23/01/19/1194230119.db2.gz WYTGOWJDODQWJQ-IRXDYDNUSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000899970689 1194230176 /nfs/dbraw/zinc/23/01/76/1194230176.db2.gz WYTGOWJDODQWJQ-IAGOWNOFSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000899970689 1194230180 /nfs/dbraw/zinc/23/01/80/1194230180.db2.gz WYTGOWJDODQWJQ-IAGOWNOFSA-N 2 2 367.490 0.585 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218723015 1224204659 /nfs/dbraw/zinc/20/46/59/1224204659.db2.gz KDCYVPYEUYPTBB-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218723015 1224204666 /nfs/dbraw/zinc/20/46/66/1224204666.db2.gz KDCYVPYEUYPTBB-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076079062 1194300349 /nfs/dbraw/zinc/30/03/49/1194300349.db2.gz CDQLFLPWLXJTTG-HRCADAONSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076079062 1194300355 /nfs/dbraw/zinc/30/03/55/1194300355.db2.gz CDQLFLPWLXJTTG-HRCADAONSA-N 2 2 369.473 0.664 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076105542 1194307866 /nfs/dbraw/zinc/30/78/66/1194307866.db2.gz IENOMNXZMZYFOM-DOTOQJQBSA-N 2 2 357.462 0.926 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076105542 1194307871 /nfs/dbraw/zinc/30/78/71/1194307871.db2.gz IENOMNXZMZYFOM-DOTOQJQBSA-N 2 2 357.462 0.926 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccnn4C)C[C@H]32)C1 ZINC001076174749 1194339048 /nfs/dbraw/zinc/33/90/48/1194339048.db2.gz ZQTMSLIFTNKLSO-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001076174749 1194339050 /nfs/dbraw/zinc/33/90/50/1194339050.db2.gz ZQTMSLIFTNKLSO-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001076174749 1194339051 /nfs/dbraw/zinc/33/90/51/1194339051.db2.gz ZQTMSLIFTNKLSO-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]31)CC2 ZINC001076186323 1194344438 /nfs/dbraw/zinc/34/44/38/1194344438.db2.gz DPBHCUUJJIPUAJ-HDMKZQKVSA-N 2 2 371.485 0.565 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]31)CC2 ZINC001076186323 1194344443 /nfs/dbraw/zinc/34/44/43/1194344443.db2.gz DPBHCUUJJIPUAJ-HDMKZQKVSA-N 2 2 371.485 0.565 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076304611 1194386491 /nfs/dbraw/zinc/38/64/91/1194386491.db2.gz XDISUZJNDPUPBP-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076304611 1194386494 /nfs/dbraw/zinc/38/64/94/1194386494.db2.gz XDISUZJNDPUPBP-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794901 1224214556 /nfs/dbraw/zinc/21/45/56/1224214556.db2.gz ULMIBXLNWCASCB-VQIMIIECSA-N 2 2 371.522 0.813 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794901 1224214561 /nfs/dbraw/zinc/21/45/61/1224214561.db2.gz ULMIBXLNWCASCB-VQIMIIECSA-N 2 2 371.522 0.813 20 0 FCADLP COC(=O)c1c[nH]c2ncnc(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)c12 ZINC001218781405 1224219315 /nfs/dbraw/zinc/21/93/15/1224219315.db2.gz RZFJNXRXOZYCDP-LBPRGKRZSA-N 2 2 354.370 0.955 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001076504792 1194529301 /nfs/dbraw/zinc/52/93/01/1194529301.db2.gz ROXOFARNEPFIQP-YQQAZPJKSA-N 2 2 358.446 0.051 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001076504792 1194529309 /nfs/dbraw/zinc/52/93/09/1194529309.db2.gz ROXOFARNEPFIQP-YQQAZPJKSA-N 2 2 358.446 0.051 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076517611 1194532725 /nfs/dbraw/zinc/53/27/25/1194532725.db2.gz OTFFMCOQATYCSV-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076517611 1194532735 /nfs/dbraw/zinc/53/27/35/1194532735.db2.gz OTFFMCOQATYCSV-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076574558 1194571138 /nfs/dbraw/zinc/57/11/38/1194571138.db2.gz JIFJKRHBLGOEKA-DLBZAZTESA-N 2 2 359.474 0.737 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076574558 1194571149 /nfs/dbraw/zinc/57/11/49/1194571149.db2.gz JIFJKRHBLGOEKA-DLBZAZTESA-N 2 2 359.474 0.737 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)co1 ZINC001076576766 1194583003 /nfs/dbraw/zinc/58/30/03/1194583003.db2.gz ZVHFHOFFRDPVJO-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)co1 ZINC001076576766 1194583008 /nfs/dbraw/zinc/58/30/08/1194583008.db2.gz ZVHFHOFFRDPVJO-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076594138 1194587753 /nfs/dbraw/zinc/58/77/53/1194587753.db2.gz IJDNFQZTGQKJFM-BMGDILEWSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076594138 1194587758 /nfs/dbraw/zinc/58/77/58/1194587758.db2.gz IJDNFQZTGQKJFM-BMGDILEWSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594138 1194587763 /nfs/dbraw/zinc/58/77/63/1194587763.db2.gz IJDNFQZTGQKJFM-BMGDILEWSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594138 1194587764 /nfs/dbraw/zinc/58/77/64/1194587764.db2.gz IJDNFQZTGQKJFM-BMGDILEWSA-N 2 2 362.474 0.990 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594795 1194588227 /nfs/dbraw/zinc/58/82/27/1194588227.db2.gz SEUVMZDYEKHHLQ-CGTJXYLNSA-N 2 2 361.490 0.482 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594795 1194588231 /nfs/dbraw/zinc/58/82/31/1194588231.db2.gz SEUVMZDYEKHHLQ-CGTJXYLNSA-N 2 2 361.490 0.482 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594795 1194588234 /nfs/dbraw/zinc/58/82/34/1194588234.db2.gz SEUVMZDYEKHHLQ-CGTJXYLNSA-N 2 2 361.490 0.482 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594795 1194588236 /nfs/dbraw/zinc/58/82/36/1194588236.db2.gz SEUVMZDYEKHHLQ-CGTJXYLNSA-N 2 2 361.490 0.482 20 0 FCADLP NC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001076633262 1194606622 /nfs/dbraw/zinc/60/66/22/1194606622.db2.gz GBSHIAQIMJUPRV-DLBZAZTESA-N 2 2 353.426 0.715 20 0 FCADLP NC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001076633262 1194606623 /nfs/dbraw/zinc/60/66/23/1194606623.db2.gz GBSHIAQIMJUPRV-DLBZAZTESA-N 2 2 353.426 0.715 20 0 FCADLP CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633568 1194607093 /nfs/dbraw/zinc/60/70/93/1194607093.db2.gz UWANHIMYKGLGOY-ARFHVFGLSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633568 1194607097 /nfs/dbraw/zinc/60/70/97/1194607097.db2.gz UWANHIMYKGLGOY-ARFHVFGLSA-N 2 2 359.474 0.815 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218798696 1224227208 /nfs/dbraw/zinc/22/72/08/1224227208.db2.gz WPQBNDXMLVOFBE-CYBMUJFWSA-N 2 2 372.429 0.107 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cc2)CC1 ZINC001218845544 1224238840 /nfs/dbraw/zinc/23/88/40/1224238840.db2.gz DDDNXPKEWUOCOK-GOSISDBHSA-N 3 2 357.502 0.572 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cc2)CC1 ZINC001218845546 1224239018 /nfs/dbraw/zinc/23/90/18/1224239018.db2.gz DDDNXPKEWUOCOK-SFHVURJKSA-N 3 2 357.502 0.572 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(=O)OC)cc1 ZINC001218857326 1224240775 /nfs/dbraw/zinc/24/07/75/1224240775.db2.gz YFISUVADVLMBGU-HNNXBMFYSA-N 2 2 364.446 0.587 20 0 FCADLP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076812942 1195035124 /nfs/dbraw/zinc/03/51/24/1195035124.db2.gz YMXXNUFGJYOBHR-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076812942 1195035130 /nfs/dbraw/zinc/03/51/30/1195035130.db2.gz YMXXNUFGJYOBHR-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001076812942 1195035135 /nfs/dbraw/zinc/03/51/35/1195035135.db2.gz YMXXNUFGJYOBHR-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001076812942 1195035140 /nfs/dbraw/zinc/03/51/40/1195035140.db2.gz YMXXNUFGJYOBHR-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838755 1195043955 /nfs/dbraw/zinc/04/39/55/1195043955.db2.gz LBPUQJWJVSVIOT-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838755 1195043958 /nfs/dbraw/zinc/04/39/58/1195043958.db2.gz LBPUQJWJVSVIOT-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838755 1195043960 /nfs/dbraw/zinc/04/39/60/1195043960.db2.gz LBPUQJWJVSVIOT-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838755 1195043963 /nfs/dbraw/zinc/04/39/63/1195043963.db2.gz LBPUQJWJVSVIOT-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918672 1224257961 /nfs/dbraw/zinc/25/79/61/1224257961.db2.gz IZCRFTAFQFEKMX-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918672 1224257969 /nfs/dbraw/zinc/25/79/69/1224257969.db2.gz IZCRFTAFQFEKMX-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918672 1224257983 /nfs/dbraw/zinc/25/79/83/1224257983.db2.gz IZCRFTAFQFEKMX-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918672 1224257994 /nfs/dbraw/zinc/25/79/94/1224257994.db2.gz IZCRFTAFQFEKMX-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@H]2O)CC[N@@H+]1C ZINC001077026679 1195157214 /nfs/dbraw/zinc/15/72/14/1195157214.db2.gz FJFFQRSMEDYPHO-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@H]2O)CC[N@H+]1C ZINC001077026679 1195157218 /nfs/dbraw/zinc/15/72/18/1195157218.db2.gz FJFFQRSMEDYPHO-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2O)CC[NH+]1C ZINC001077026679 1195157223 /nfs/dbraw/zinc/15/72/23/1195157223.db2.gz FJFFQRSMEDYPHO-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2O)CC[NH+]1C ZINC001077026679 1195157229 /nfs/dbraw/zinc/15/72/29/1195157229.db2.gz FJFFQRSMEDYPHO-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127691 1195240971 /nfs/dbraw/zinc/24/09/71/1195240971.db2.gz FNMBGTIFBTUNJT-KBAYOESNSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127691 1195240978 /nfs/dbraw/zinc/24/09/78/1195240978.db2.gz FNMBGTIFBTUNJT-KBAYOESNSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127691 1195240983 /nfs/dbraw/zinc/24/09/83/1195240983.db2.gz FNMBGTIFBTUNJT-KBAYOESNSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127691 1195240987 /nfs/dbraw/zinc/24/09/87/1195240987.db2.gz FNMBGTIFBTUNJT-KBAYOESNSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001077131508 1195248055 /nfs/dbraw/zinc/24/80/55/1195248055.db2.gz DMLGNGZRORDPJR-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001077131508 1195248059 /nfs/dbraw/zinc/24/80/59/1195248059.db2.gz DMLGNGZRORDPJR-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001077131508 1195248064 /nfs/dbraw/zinc/24/80/64/1195248064.db2.gz DMLGNGZRORDPJR-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001077131508 1195248070 /nfs/dbraw/zinc/24/80/70/1195248070.db2.gz DMLGNGZRORDPJR-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP C[C@@H](CCNC(=O)CCCn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001077171141 1195296830 /nfs/dbraw/zinc/29/68/30/1195296830.db2.gz NJSXGNVQIZOUGI-ARFHVFGLSA-N 2 2 365.478 0.393 20 0 FCADLP C[C@@H](CCNC(=O)CCCn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001077171141 1195296838 /nfs/dbraw/zinc/29/68/38/1195296838.db2.gz NJSXGNVQIZOUGI-ARFHVFGLSA-N 2 2 365.478 0.393 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220056 1195329117 /nfs/dbraw/zinc/32/91/17/1195329117.db2.gz CYKDLNJFPRZUHK-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220056 1195329119 /nfs/dbraw/zinc/32/91/19/1195329119.db2.gz CYKDLNJFPRZUHK-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220056 1195329123 /nfs/dbraw/zinc/32/91/23/1195329123.db2.gz CYKDLNJFPRZUHK-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220056 1195329127 /nfs/dbraw/zinc/32/91/27/1195329127.db2.gz CYKDLNJFPRZUHK-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP Cc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077221010 1195329362 /nfs/dbraw/zinc/32/93/62/1195329362.db2.gz YQRZVUCFUJEEAI-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077221010 1195329368 /nfs/dbraw/zinc/32/93/68/1195329368.db2.gz YQRZVUCFUJEEAI-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221010 1195329372 /nfs/dbraw/zinc/32/93/72/1195329372.db2.gz YQRZVUCFUJEEAI-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221010 1195329377 /nfs/dbraw/zinc/32/93/77/1195329377.db2.gz YQRZVUCFUJEEAI-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251799 1195357226 /nfs/dbraw/zinc/35/72/26/1195357226.db2.gz PNWYIROTRXIPDO-QXAKKESOSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251799 1195357232 /nfs/dbraw/zinc/35/72/32/1195357232.db2.gz PNWYIROTRXIPDO-QXAKKESOSA-N 2 2 354.454 0.850 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275902 1195376539 /nfs/dbraw/zinc/37/65/39/1195376539.db2.gz BMPNHJKIMRIJJG-CSMYWGQOSA-N 2 2 371.441 0.085 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275902 1195376543 /nfs/dbraw/zinc/37/65/43/1195376543.db2.gz BMPNHJKIMRIJJG-CSMYWGQOSA-N 2 2 371.441 0.085 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1=O ZINC001077392885 1195490142 /nfs/dbraw/zinc/49/01/42/1195490142.db2.gz WBHFBZQXVWOZOY-IXDOHACOSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1=O ZINC001077392885 1195490146 /nfs/dbraw/zinc/49/01/46/1195490146.db2.gz WBHFBZQXVWOZOY-IXDOHACOSA-N 2 2 371.441 0.119 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077394807 1195491661 /nfs/dbraw/zinc/49/16/61/1195491661.db2.gz FGGVAUYLVCLNDS-HZPDHXFCSA-N 2 2 358.446 0.014 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077394807 1195491665 /nfs/dbraw/zinc/49/16/65/1195491665.db2.gz FGGVAUYLVCLNDS-HZPDHXFCSA-N 2 2 358.446 0.014 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077394914 1195491975 /nfs/dbraw/zinc/49/19/75/1195491975.db2.gz KCRRGEDRCVBRJO-QZTJIDSGSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001077394914 1195491978 /nfs/dbraw/zinc/49/19/78/1195491978.db2.gz KCRRGEDRCVBRJO-QZTJIDSGSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001077394850 1195492440 /nfs/dbraw/zinc/49/24/40/1195492440.db2.gz HAGIGHXYYHHBKK-IAGOWNOFSA-N 2 2 360.462 0.639 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001077394850 1195492442 /nfs/dbraw/zinc/49/24/42/1195492442.db2.gz HAGIGHXYYHHBKK-IAGOWNOFSA-N 2 2 360.462 0.639 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396262 1195494933 /nfs/dbraw/zinc/49/49/33/1195494933.db2.gz XCZJLAUZSFOEIL-IAGOWNOFSA-N 2 2 355.398 0.860 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396262 1195494941 /nfs/dbraw/zinc/49/49/41/1195494941.db2.gz XCZJLAUZSFOEIL-IAGOWNOFSA-N 2 2 355.398 0.860 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004626 1224287337 /nfs/dbraw/zinc/28/73/37/1224287337.db2.gz PIUIMAZKRHECBM-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004626 1224287339 /nfs/dbraw/zinc/28/73/39/1224287339.db2.gz PIUIMAZKRHECBM-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004626 1224287341 /nfs/dbraw/zinc/28/73/41/1224287341.db2.gz PIUIMAZKRHECBM-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004626 1224287348 /nfs/dbraw/zinc/28/73/48/1224287348.db2.gz PIUIMAZKRHECBM-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)COc1ccccc1 ZINC000905447741 1195586381 /nfs/dbraw/zinc/58/63/81/1195586381.db2.gz ULBXSKNPPMWWQR-MOPGFXCFSA-N 2 2 363.502 0.813 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591799 1195591499 /nfs/dbraw/zinc/59/14/99/1195591499.db2.gz XHWWXBDPZIEWTJ-SJORKVTESA-N 2 2 371.441 0.040 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591799 1195591502 /nfs/dbraw/zinc/59/15/02/1195591502.db2.gz XHWWXBDPZIEWTJ-SJORKVTESA-N 2 2 371.441 0.040 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccn1CC[NH+]1CCOCC1 ZINC000906459102 1195631402 /nfs/dbraw/zinc/63/14/02/1195631402.db2.gz JNPIPIRVQSEDCT-DLBZAZTESA-N 2 2 362.474 0.413 20 0 FCADLP O=C(NCCC[NH+]1CCC(O)CC1)c1cccn1CC[NH+]1CCOCC1 ZINC000906740584 1195652022 /nfs/dbraw/zinc/65/20/22/1195652022.db2.gz YDLYKIXSWUUWTC-UHFFFAOYSA-N 2 2 364.490 0.397 20 0 FCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)[nH]n1 ZINC000909315270 1195793161 /nfs/dbraw/zinc/79/31/61/1195793161.db2.gz GVTVUBMMRRPKDZ-INIZCTEOSA-N 2 2 362.478 0.508 20 0 FCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)[nH]n1 ZINC000909315270 1195793165 /nfs/dbraw/zinc/79/31/65/1195793165.db2.gz GVTVUBMMRRPKDZ-INIZCTEOSA-N 2 2 362.478 0.508 20 0 FCADLP CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000910613509 1195823138 /nfs/dbraw/zinc/82/31/38/1195823138.db2.gz NSMIKBVNGDAYKT-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000910613509 1195823141 /nfs/dbraw/zinc/82/31/41/1195823141.db2.gz NSMIKBVNGDAYKT-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000910613465 1195823462 /nfs/dbraw/zinc/82/34/62/1195823462.db2.gz NSMIKBVNGDAYKT-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000910613465 1195823464 /nfs/dbraw/zinc/82/34/64/1195823464.db2.gz NSMIKBVNGDAYKT-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000910951782 1195867933 /nfs/dbraw/zinc/86/79/33/1195867933.db2.gz FDXJONDBZMBZPC-MSOLQXFVSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000910951782 1195867935 /nfs/dbraw/zinc/86/79/35/1195867935.db2.gz FDXJONDBZMBZPC-MSOLQXFVSA-N 2 2 374.485 0.201 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037614 1224309458 /nfs/dbraw/zinc/30/94/58/1224309458.db2.gz UDKIAALZEGFZGX-IXDOHACOSA-N 2 2 366.506 0.428 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037614 1224309464 /nfs/dbraw/zinc/30/94/64/1224309464.db2.gz UDKIAALZEGFZGX-IXDOHACOSA-N 2 2 366.506 0.428 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCC3([NH3+])CC3)CC2)cc1 ZINC000911211705 1195915262 /nfs/dbraw/zinc/91/52/62/1195915262.db2.gz MMZUSPRWRUGHIC-UHFFFAOYSA-N 2 2 359.474 0.445 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219064179 1224330372 /nfs/dbraw/zinc/33/03/72/1224330372.db2.gz QGZCGOVKJXCUNT-YESZJQIVSA-N 2 2 366.506 0.428 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219064179 1224330376 /nfs/dbraw/zinc/33/03/76/1224330376.db2.gz QGZCGOVKJXCUNT-YESZJQIVSA-N 2 2 366.506 0.428 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000912897010 1196383323 /nfs/dbraw/zinc/38/33/23/1196383323.db2.gz JTORGROTBQDUCP-UHFFFAOYSA-N 2 2 368.522 0.358 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000912897010 1196383328 /nfs/dbraw/zinc/38/33/28/1196383328.db2.gz JTORGROTBQDUCP-UHFFFAOYSA-N 2 2 368.522 0.358 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083666953 1196384336 /nfs/dbraw/zinc/38/43/36/1196384336.db2.gz DQGGXYUFGWWCAY-MOPGFXCFSA-N 2 2 371.485 0.499 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077443991 1196397382 /nfs/dbraw/zinc/39/73/82/1196397382.db2.gz FZYSTEJCJYZFDZ-GUDVDZBRSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077443991 1196397387 /nfs/dbraw/zinc/39/73/87/1196397387.db2.gz FZYSTEJCJYZFDZ-GUDVDZBRSA-N 2 2 358.486 0.926 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1=O ZINC000913448145 1196436173 /nfs/dbraw/zinc/43/61/73/1196436173.db2.gz RDOJNIUTXMDLBV-OIISXLGYSA-N 2 2 374.489 0.215 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1=O ZINC000913448145 1196436178 /nfs/dbraw/zinc/43/61/78/1196436178.db2.gz RDOJNIUTXMDLBV-OIISXLGYSA-N 2 2 374.489 0.215 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000592489030 1196564284 /nfs/dbraw/zinc/56/42/84/1196564284.db2.gz WLNPCCYQLGDUJF-SFHVURJKSA-N 2 2 368.570 0.339 20 0 FCADLP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000592885336 1196587256 /nfs/dbraw/zinc/58/72/56/1196587256.db2.gz QAVSEVYSBZJGNB-WBVHZDCISA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC(=O)OC)cc2)CC1 ZINC000592956217 1196600263 /nfs/dbraw/zinc/60/02/63/1196600263.db2.gz FCDSUBZOIWJMAO-HNNXBMFYSA-N 2 2 362.430 0.293 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958943 1196600582 /nfs/dbraw/zinc/60/05/82/1196600582.db2.gz AGSTZVGYQCHDBK-HUUCEWRRSA-N 3 2 360.506 0.618 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958943 1196600586 /nfs/dbraw/zinc/60/05/86/1196600586.db2.gz AGSTZVGYQCHDBK-HUUCEWRRSA-N 3 2 360.506 0.618 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000594158996 1196692467 /nfs/dbraw/zinc/69/24/67/1196692467.db2.gz SSXMIRGUOAFTRF-MRXNPFEDSA-N 2 2 369.554 0.811 20 0 FCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064806 1196820888 /nfs/dbraw/zinc/82/08/88/1196820888.db2.gz IVDJYFJKFFJPPZ-BZUAXINKSA-N 2 2 368.478 0.050 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106068735 1196823169 /nfs/dbraw/zinc/82/31/69/1196823169.db2.gz NQZSTXSMCPZTFQ-BZUAXINKSA-N 2 2 360.462 0.284 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053367 1196876924 /nfs/dbraw/zinc/87/69/24/1196876924.db2.gz UBDSBILASYVBPC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053367 1196876926 /nfs/dbraw/zinc/87/69/26/1196876926.db2.gz UBDSBILASYVBPC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053367 1196876928 /nfs/dbraw/zinc/87/69/28/1196876928.db2.gz UBDSBILASYVBPC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053367 1196876929 /nfs/dbraw/zinc/87/69/29/1196876929.db2.gz UBDSBILASYVBPC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C2)CC[N@@H+]1C ZINC000992087235 1196943481 /nfs/dbraw/zinc/94/34/81/1196943481.db2.gz OLHYLDLAKPOVNA-CZUORRHYSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C2)CC[N@H+]1C ZINC000992087235 1196943491 /nfs/dbraw/zinc/94/34/91/1196943491.db2.gz OLHYLDLAKPOVNA-CZUORRHYSA-N 2 2 368.441 0.548 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001219193692 1224382211 /nfs/dbraw/zinc/38/22/11/1224382211.db2.gz JCIMTSMRTDMYHC-ZFWWWQNUSA-N 3 2 371.407 0.738 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@@H+]1C ZINC000992393490 1197086302 /nfs/dbraw/zinc/08/63/02/1197086302.db2.gz SGUNNZXATDISED-OFQRWUPVSA-N 2 2 359.474 0.887 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@H+]1C ZINC000992393490 1197086308 /nfs/dbraw/zinc/08/63/08/1197086308.db2.gz SGUNNZXATDISED-OFQRWUPVSA-N 2 2 359.474 0.887 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459124 1197087861 /nfs/dbraw/zinc/08/78/61/1197087861.db2.gz CNDFUDNNYVPCDD-WMZOPIPTSA-N 2 2 358.446 0.654 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459124 1197087865 /nfs/dbraw/zinc/08/78/65/1197087865.db2.gz CNDFUDNNYVPCDD-WMZOPIPTSA-N 2 2 358.446 0.654 20 0 FCADLP C[C@@H](CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000914067637 1197215490 /nfs/dbraw/zinc/21/54/90/1197215490.db2.gz XMJLADYQIDCHJM-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992939696 1197620040 /nfs/dbraw/zinc/62/00/40/1197620040.db2.gz IBPIRMNMOXFJIE-KHYOSLBOSA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992939696 1197620052 /nfs/dbraw/zinc/62/00/52/1197620052.db2.gz IBPIRMNMOXFJIE-KHYOSLBOSA-N 2 2 359.474 0.519 20 0 FCADLP C[C@@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000992963054 1197635017 /nfs/dbraw/zinc/63/50/17/1197635017.db2.gz SAEPRHPIHPESLJ-MDYRTPRTSA-N 2 2 371.485 0.601 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1)C1CCC1 ZINC000993050028 1197740423 /nfs/dbraw/zinc/74/04/23/1197740423.db2.gz ZYZDLYOKMCDOOX-HNAYVOBHSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1)C1CCC1 ZINC000993050028 1197740439 /nfs/dbraw/zinc/74/04/39/1197740439.db2.gz ZYZDLYOKMCDOOX-HNAYVOBHSA-N 2 2 359.474 0.674 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085243156 1197742180 /nfs/dbraw/zinc/74/21/80/1197742180.db2.gz XDXFVZXZNPPIKM-MWQQHZPXSA-N 2 2 364.494 0.534 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085243156 1197742191 /nfs/dbraw/zinc/74/21/91/1197742191.db2.gz XDXFVZXZNPPIKM-MWQQHZPXSA-N 2 2 364.494 0.534 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1)N1CCC1 ZINC001085249581 1197746811 /nfs/dbraw/zinc/74/68/11/1197746811.db2.gz JRMKAFRHXFZPPV-ARFHVFGLSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085249693 1197748303 /nfs/dbraw/zinc/74/83/03/1197748303.db2.gz NPNDKZFOHNLTPS-BZUAXINKSA-N 2 2 357.462 0.754 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106226111 1197751880 /nfs/dbraw/zinc/75/18/80/1197751880.db2.gz QNLJSJHRIJKROZ-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106226111 1197751884 /nfs/dbraw/zinc/75/18/84/1197751884.db2.gz QNLJSJHRIJKROZ-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993098749 1197822571 /nfs/dbraw/zinc/82/25/71/1197822571.db2.gz UCZVNNNUTXRMFG-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993098749 1197822573 /nfs/dbraw/zinc/82/25/73/1197822573.db2.gz UCZVNNNUTXRMFG-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201039 1197839610 /nfs/dbraw/zinc/83/96/10/1197839610.db2.gz MQZDIPKUOOSSDG-HUUCEWRRSA-N 2 2 361.450 0.066 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201039 1197839611 /nfs/dbraw/zinc/83/96/11/1197839611.db2.gz MQZDIPKUOOSSDG-HUUCEWRRSA-N 2 2 361.450 0.066 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(N)=O ZINC001085382687 1197854406 /nfs/dbraw/zinc/85/44/06/1197854406.db2.gz QLHMHQMCDSYZST-BPLDGKMQSA-N 2 2 356.430 0.772 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000993138099 1197860562 /nfs/dbraw/zinc/86/05/62/1197860562.db2.gz ZZHVDPILFQQRIR-BEFAXECRSA-N 2 2 370.457 0.854 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106334024 1197869333 /nfs/dbraw/zinc/86/93/33/1197869333.db2.gz TXXMLULSWJYUHA-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342726 1197871087 /nfs/dbraw/zinc/87/10/87/1197871087.db2.gz BGCRUDRSEMKFAW-VHDGCEQUSA-N 2 2 361.490 0.643 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342726 1197871089 /nfs/dbraw/zinc/87/10/89/1197871089.db2.gz BGCRUDRSEMKFAW-VHDGCEQUSA-N 2 2 361.490 0.643 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106342930 1197871213 /nfs/dbraw/zinc/87/12/13/1197871213.db2.gz JPSBVHIJVGHUHL-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106343102 1197871910 /nfs/dbraw/zinc/87/19/10/1197871910.db2.gz POTYMUMMFKEFNO-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)C2 ZINC001106342963 1197872322 /nfs/dbraw/zinc/87/23/22/1197872322.db2.gz KMODUBRMICLSJQ-VNQPRFMTSA-N 2 2 364.490 0.516 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)CC2 ZINC001106342963 1197872328 /nfs/dbraw/zinc/87/23/28/1197872328.db2.gz KMODUBRMICLSJQ-VNQPRFMTSA-N 2 2 364.490 0.516 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106344312 1197872646 /nfs/dbraw/zinc/87/26/46/1197872646.db2.gz RLYLRZCSVNZOTC-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001085424364 1197889016 /nfs/dbraw/zinc/88/90/16/1197889016.db2.gz LKDSIFBESYVVJQ-HUUCEWRRSA-N 2 2 358.450 0.730 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001085438289 1197908997 /nfs/dbraw/zinc/90/89/97/1197908997.db2.gz FVVFQUZIXYLAJX-CHWSQXEVSA-N 2 2 367.404 0.957 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993162688 1197914581 /nfs/dbraw/zinc/91/45/81/1197914581.db2.gz BAWMPORHUQQHMP-VCBZYWHSSA-N 2 2 361.490 0.989 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993173580 1197932345 /nfs/dbraw/zinc/93/23/45/1197932345.db2.gz CAKCMLBMTJVORZ-FRQCXROJSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993173580 1197932349 /nfs/dbraw/zinc/93/23/49/1197932349.db2.gz CAKCMLBMTJVORZ-FRQCXROJSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1)[NH+](C)C ZINC000993176000 1197936577 /nfs/dbraw/zinc/93/65/77/1197936577.db2.gz QQXHTBQVUDNNIA-TXPKVOOTSA-N 2 2 361.490 0.920 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3CO)cc21 ZINC000828716021 1197947567 /nfs/dbraw/zinc/94/75/67/1197947567.db2.gz JAFNFVXGMPRZPU-AWEZNQCLSA-N 2 2 361.446 0.052 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3CO)cc21 ZINC000828716021 1197947583 /nfs/dbraw/zinc/94/75/83/1197947583.db2.gz JAFNFVXGMPRZPU-AWEZNQCLSA-N 2 2 361.446 0.052 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491868 1197973587 /nfs/dbraw/zinc/97/35/87/1197973587.db2.gz VQXNXVFEDRAEIS-GDBMZVCRSA-N 2 2 355.442 0.916 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001085670721 1197977130 /nfs/dbraw/zinc/97/71/30/1197977130.db2.gz CXFSOQNATRVNRQ-AYOQOUSVSA-N 2 2 361.486 0.931 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001085670721 1197977138 /nfs/dbraw/zinc/97/71/38/1197977138.db2.gz CXFSOQNATRVNRQ-AYOQOUSVSA-N 2 2 361.486 0.931 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(CO)cc2)O1 ZINC001085670721 1197977144 /nfs/dbraw/zinc/97/71/44/1197977144.db2.gz CXFSOQNATRVNRQ-AYOQOUSVSA-N 2 2 361.486 0.931 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825906 1198015856 /nfs/dbraw/zinc/01/58/56/1198015856.db2.gz ZEZCFKBCSZTCSB-BRWVUGGUSA-N 2 2 369.469 0.955 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085825906 1198015862 /nfs/dbraw/zinc/01/58/62/1198015862.db2.gz ZEZCFKBCSZTCSB-BRWVUGGUSA-N 2 2 369.469 0.955 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832543 1198020763 /nfs/dbraw/zinc/02/07/63/1198020763.db2.gz JONSOSFHFGUBOH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832543 1198020772 /nfs/dbraw/zinc/02/07/72/1198020772.db2.gz JONSOSFHFGUBOH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832543 1198020782 /nfs/dbraw/zinc/02/07/82/1198020782.db2.gz JONSOSFHFGUBOH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832543 1198020785 /nfs/dbraw/zinc/02/07/85/1198020785.db2.gz JONSOSFHFGUBOH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411631 1224457062 /nfs/dbraw/zinc/45/70/62/1224457062.db2.gz QWDYUVXPKSCWKJ-OUUDBMBWSA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411631 1224457065 /nfs/dbraw/zinc/45/70/65/1224457065.db2.gz QWDYUVXPKSCWKJ-OUUDBMBWSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411631 1224457070 /nfs/dbraw/zinc/45/70/70/1224457070.db2.gz QWDYUVXPKSCWKJ-OUUDBMBWSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411631 1224457075 /nfs/dbraw/zinc/45/70/75/1224457075.db2.gz QWDYUVXPKSCWKJ-OUUDBMBWSA-N 2 2 359.470 0.582 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411716 1224457826 /nfs/dbraw/zinc/45/78/26/1224457826.db2.gz VBZUCLQZGFHANJ-FGTMMUONSA-N 2 2 369.506 0.075 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411716 1224457830 /nfs/dbraw/zinc/45/78/30/1224457830.db2.gz VBZUCLQZGFHANJ-FGTMMUONSA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411716 1224457835 /nfs/dbraw/zinc/45/78/35/1224457835.db2.gz VBZUCLQZGFHANJ-FGTMMUONSA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411716 1224457840 /nfs/dbraw/zinc/45/78/40/1224457840.db2.gz VBZUCLQZGFHANJ-FGTMMUONSA-N 2 2 369.506 0.075 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001086120624 1198181693 /nfs/dbraw/zinc/18/16/93/1198181693.db2.gz GVJIWJVDKJFSFQ-APIJFGDWSA-N 2 2 364.494 0.081 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001086120624 1198181700 /nfs/dbraw/zinc/18/17/00/1198181700.db2.gz GVJIWJVDKJFSFQ-APIJFGDWSA-N 2 2 364.494 0.081 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH+]ccn2C)C1 ZINC001006288257 1198241912 /nfs/dbraw/zinc/24/19/12/1198241912.db2.gz MGIABBAALJSLDS-HZMVEIRTSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH+]ccn2C)C1 ZINC001006288257 1198241923 /nfs/dbraw/zinc/24/19/23/1198241923.db2.gz MGIABBAALJSLDS-HZMVEIRTSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)C1 ZINC001006289151 1198252257 /nfs/dbraw/zinc/25/22/57/1198252257.db2.gz PWUGZWSNSNKKFS-ABFRBSLYSA-N 2 2 359.474 0.553 20 0 FCADLP CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001086482583 1198956481 /nfs/dbraw/zinc/95/64/81/1198956481.db2.gz MNDIENJCLZNIQW-QCODTGAPSA-N 2 2 359.474 0.629 20 0 FCADLP CC(C)CN1N=C(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1=O ZINC000766394663 1199027231 /nfs/dbraw/zinc/02/72/31/1199027231.db2.gz UDVQYSZFPRRPJV-HNNXBMFYSA-N 2 2 363.506 0.906 20 0 FCADLP CC(C)CN1N=C(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1=O ZINC000766394663 1199027238 /nfs/dbraw/zinc/02/72/38/1199027238.db2.gz UDVQYSZFPRRPJV-HNNXBMFYSA-N 2 2 363.506 0.906 20 0 FCADLP CON(C)C(=O)[C@H]1CCc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2O1 ZINC001169074999 1199045185 /nfs/dbraw/zinc/04/51/85/1199045185.db2.gz DPRGIYWDAJJCFO-CXAGYDPISA-N 2 2 360.414 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129370735 1199132565 /nfs/dbraw/zinc/13/25/65/1199132565.db2.gz ZPGNOPKEGPVQIY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129370735 1199132570 /nfs/dbraw/zinc/13/25/70/1199132570.db2.gz ZPGNOPKEGPVQIY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129370735 1199132572 /nfs/dbraw/zinc/13/25/72/1199132572.db2.gz ZPGNOPKEGPVQIY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129370735 1199132578 /nfs/dbraw/zinc/13/25/78/1199132578.db2.gz ZPGNOPKEGPVQIY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001219632793 1224538276 /nfs/dbraw/zinc/53/82/76/1224538276.db2.gz KERGJNXHSAYTEW-PMPSAXMXSA-N 2 2 368.522 0.456 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001219632793 1224538285 /nfs/dbraw/zinc/53/82/85/1224538285.db2.gz KERGJNXHSAYTEW-PMPSAXMXSA-N 2 2 368.522 0.456 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)c1 ZINC001219634321 1224540256 /nfs/dbraw/zinc/54/02/56/1224540256.db2.gz TWRUPADDBSIECQ-INIZCTEOSA-N 2 2 370.409 0.851 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656043 1224546363 /nfs/dbraw/zinc/54/63/63/1224546363.db2.gz IKKCLDGJEJLZKQ-VQHPVUNQSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656043 1224546369 /nfs/dbraw/zinc/54/63/69/1224546369.db2.gz IKKCLDGJEJLZKQ-VQHPVUNQSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656043 1224546377 /nfs/dbraw/zinc/54/63/77/1224546377.db2.gz IKKCLDGJEJLZKQ-VQHPVUNQSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656043 1224546383 /nfs/dbraw/zinc/54/63/83/1224546383.db2.gz IKKCLDGJEJLZKQ-VQHPVUNQSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662464 1224548090 /nfs/dbraw/zinc/54/80/90/1224548090.db2.gz IDYLEYZLUIMSOY-SJORKVTESA-N 2 2 364.490 0.596 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662464 1224548099 /nfs/dbraw/zinc/54/80/99/1224548099.db2.gz IDYLEYZLUIMSOY-SJORKVTESA-N 2 2 364.490 0.596 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001109067346 1200036032 /nfs/dbraw/zinc/03/60/32/1200036032.db2.gz BYFJLASOUUQRKG-FXUDXRNXSA-N 2 2 365.522 0.900 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001109067346 1200036039 /nfs/dbraw/zinc/03/60/39/1200036039.db2.gz BYFJLASOUUQRKG-FXUDXRNXSA-N 2 2 365.522 0.900 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)(C)C ZINC001109067346 1200036044 /nfs/dbraw/zinc/03/60/44/1200036044.db2.gz BYFJLASOUUQRKG-FXUDXRNXSA-N 2 2 365.522 0.900 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)(C)C ZINC001109067346 1200036048 /nfs/dbraw/zinc/03/60/48/1200036048.db2.gz BYFJLASOUUQRKG-FXUDXRNXSA-N 2 2 365.522 0.900 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428220 1200270634 /nfs/dbraw/zinc/27/06/34/1200270634.db2.gz TXXNBNBDCKESSH-CVYDXHPNSA-N 2 2 368.522 0.447 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428220 1200270639 /nfs/dbraw/zinc/27/06/39/1200270639.db2.gz TXXNBNBDCKESSH-CVYDXHPNSA-N 2 2 368.522 0.447 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466231 1200305742 /nfs/dbraw/zinc/30/57/42/1200305742.db2.gz QMKPTAOMARTDSU-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466231 1200305748 /nfs/dbraw/zinc/30/57/48/1200305748.db2.gz QMKPTAOMARTDSU-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109466231 1200305759 /nfs/dbraw/zinc/30/57/59/1200305759.db2.gz QMKPTAOMARTDSU-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109466231 1200305766 /nfs/dbraw/zinc/30/57/66/1200305766.db2.gz QMKPTAOMARTDSU-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001109581419 1200401137 /nfs/dbraw/zinc/40/11/37/1200401137.db2.gz YUSJQADXPZYMNK-NCOADZHNSA-N 2 2 358.446 0.252 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001109581419 1200401142 /nfs/dbraw/zinc/40/11/42/1200401142.db2.gz YUSJQADXPZYMNK-NCOADZHNSA-N 2 2 358.446 0.252 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649227 1200442332 /nfs/dbraw/zinc/44/23/32/1200442332.db2.gz YVGBDBORMBCWRC-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649227 1200442337 /nfs/dbraw/zinc/44/23/37/1200442337.db2.gz YVGBDBORMBCWRC-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP Cn1ccc(N2CC[C@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001109674319 1200461811 /nfs/dbraw/zinc/46/18/11/1200461811.db2.gz BGODQKLYOQUICK-UGUYLWEFSA-N 2 2 374.489 0.199 20 0 FCADLP Cn1ccc(N2CC[C@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001109674319 1200461820 /nfs/dbraw/zinc/46/18/20/1200461820.db2.gz BGODQKLYOQUICK-UGUYLWEFSA-N 2 2 374.489 0.199 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)NCC[C@@H]1C[NH2+]Cc3cccn3C1)C[NH2+]C2 ZINC001219787643 1224613606 /nfs/dbraw/zinc/61/36/06/1224613606.db2.gz IREOSBHWVLIJFN-HIFRSBDPSA-N 2 2 357.462 0.212 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109719124 1200485524 /nfs/dbraw/zinc/48/55/24/1200485524.db2.gz VTRIKNGVBKXNMV-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109719124 1200485527 /nfs/dbraw/zinc/48/55/27/1200485527.db2.gz VTRIKNGVBKXNMV-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109719124 1200485530 /nfs/dbraw/zinc/48/55/30/1200485530.db2.gz VTRIKNGVBKXNMV-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109719124 1200485534 /nfs/dbraw/zinc/48/55/34/1200485534.db2.gz VTRIKNGVBKXNMV-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001109732058 1200492662 /nfs/dbraw/zinc/49/26/62/1200492662.db2.gz ZJCMKQCNZIHBSF-MTSZKFMLSA-N 2 2 362.474 0.908 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001109732058 1200492674 /nfs/dbraw/zinc/49/26/74/1200492674.db2.gz ZJCMKQCNZIHBSF-MTSZKFMLSA-N 2 2 362.474 0.908 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)n1cc[nH+]c1 ZINC001109772606 1200515124 /nfs/dbraw/zinc/51/51/24/1200515124.db2.gz PDVQUUQDIHGSAY-WCVJEAGWSA-N 2 2 360.462 0.581 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)n1cc[nH+]c1 ZINC001109772606 1200515127 /nfs/dbraw/zinc/51/51/27/1200515127.db2.gz PDVQUUQDIHGSAY-WCVJEAGWSA-N 2 2 360.462 0.581 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843645 1200557520 /nfs/dbraw/zinc/55/75/20/1200557520.db2.gz VXJCQJIRCAWQIU-TWMKSMIVSA-N 2 2 366.506 0.474 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843645 1200557527 /nfs/dbraw/zinc/55/75/27/1200557527.db2.gz VXJCQJIRCAWQIU-TWMKSMIVSA-N 2 2 366.506 0.474 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970180 1200650815 /nfs/dbraw/zinc/65/08/15/1200650815.db2.gz QXCGHZWKFYNDTH-KCMWZYNZSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970180 1200650817 /nfs/dbraw/zinc/65/08/17/1200650817.db2.gz QXCGHZWKFYNDTH-KCMWZYNZSA-N 2 2 371.441 0.610 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001109976202 1200658515 /nfs/dbraw/zinc/65/85/15/1200658515.db2.gz WQEWRHRCYOEMGC-UBDQQSCGSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001109976202 1200658528 /nfs/dbraw/zinc/65/85/28/1200658528.db2.gz WQEWRHRCYOEMGC-UBDQQSCGSA-N 2 2 362.474 0.880 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109980388 1200663894 /nfs/dbraw/zinc/66/38/94/1200663894.db2.gz MZOMTUGEVAMAMC-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109980388 1200663908 /nfs/dbraw/zinc/66/39/08/1200663908.db2.gz MZOMTUGEVAMAMC-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109980388 1200663928 /nfs/dbraw/zinc/66/39/28/1200663928.db2.gz MZOMTUGEVAMAMC-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109980388 1200663961 /nfs/dbraw/zinc/66/39/61/1200663961.db2.gz MZOMTUGEVAMAMC-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109980475 1200664712 /nfs/dbraw/zinc/66/47/12/1200664712.db2.gz OKPYJZOFBJWPEZ-SIXLDLHFSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109980475 1200664716 /nfs/dbraw/zinc/66/47/16/1200664716.db2.gz OKPYJZOFBJWPEZ-SIXLDLHFSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001219804255 1224624860 /nfs/dbraw/zinc/62/48/60/1224624860.db2.gz QQAWDVSCDMNNHD-SOLBZPMBSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001219804255 1224624866 /nfs/dbraw/zinc/62/48/66/1224624866.db2.gz QQAWDVSCDMNNHD-SOLBZPMBSA-N 2 2 368.522 0.133 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)ccn1 ZINC001219812234 1224629255 /nfs/dbraw/zinc/62/92/55/1224629255.db2.gz TXVAITFZWLSMQH-SJORKVTESA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)ccn1 ZINC001219812234 1224629266 /nfs/dbraw/zinc/62/92/66/1224629266.db2.gz TXVAITFZWLSMQH-SJORKVTESA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)ccn1 ZINC001219812234 1224629268 /nfs/dbraw/zinc/62/92/68/1224629268.db2.gz TXVAITFZWLSMQH-SJORKVTESA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)ccn1 ZINC001219812234 1224629276 /nfs/dbraw/zinc/62/92/76/1224629276.db2.gz TXVAITFZWLSMQH-SJORKVTESA-N 2 2 361.490 0.293 20 0 FCADLP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001112556727 1200783286 /nfs/dbraw/zinc/78/32/86/1200783286.db2.gz NTUUKDQTDLSWOT-LIRRHRJNSA-N 2 2 368.441 0.585 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001219830436 1224642747 /nfs/dbraw/zinc/64/27/47/1224642747.db2.gz WYOSWQPGGFVTKW-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001219830436 1224642751 /nfs/dbraw/zinc/64/27/51/1224642751.db2.gz WYOSWQPGGFVTKW-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccn1 ZINC001219830436 1224642752 /nfs/dbraw/zinc/64/27/52/1224642752.db2.gz WYOSWQPGGFVTKW-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)ccn1 ZINC001219830436 1224642755 /nfs/dbraw/zinc/64/27/55/1224642755.db2.gz WYOSWQPGGFVTKW-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595570 1201130467 /nfs/dbraw/zinc/13/04/67/1201130467.db2.gz ISXPYXBGHYOSBT-KSZLIROESA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001086595570 1201130473 /nfs/dbraw/zinc/13/04/73/1201130473.db2.gz ISXPYXBGHYOSBT-KSZLIROESA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086595570 1201130479 /nfs/dbraw/zinc/13/04/79/1201130479.db2.gz ISXPYXBGHYOSBT-KSZLIROESA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086595570 1201130483 /nfs/dbraw/zinc/13/04/83/1201130483.db2.gz ISXPYXBGHYOSBT-KSZLIROESA-N 2 2 358.486 0.801 20 0 FCADLP C[C@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1nnnn1C1CC1)c1nnnn1C1CC1 ZINC000792472194 1201194712 /nfs/dbraw/zinc/19/47/12/1201194712.db2.gz CRAUEXCZNZKPSA-WGPFEIJOSA-N 2 2 358.454 0.887 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001111501535 1201207723 /nfs/dbraw/zinc/20/77/23/1201207723.db2.gz KGGYIRUUVDNMLE-UPJWGTAASA-N 2 2 373.379 0.673 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001111501535 1201207732 /nfs/dbraw/zinc/20/77/32/1201207732.db2.gz KGGYIRUUVDNMLE-UPJWGTAASA-N 2 2 373.379 0.673 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129397302 1201296113 /nfs/dbraw/zinc/29/61/13/1201296113.db2.gz SSZWWPWIXYYLDG-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129397302 1201296117 /nfs/dbraw/zinc/29/61/17/1201296117.db2.gz SSZWWPWIXYYLDG-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412399 1201299996 /nfs/dbraw/zinc/29/99/96/1201299996.db2.gz QBQQOMFHAWLPRQ-IMJJTQAJSA-N 2 2 363.441 0.734 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086623476 1201349440 /nfs/dbraw/zinc/34/94/40/1201349440.db2.gz GTLMMNBOBGQYOU-RBUKOAKNSA-N 2 2 370.497 0.945 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086623476 1201349449 /nfs/dbraw/zinc/34/94/49/1201349449.db2.gz GTLMMNBOBGQYOU-RBUKOAKNSA-N 2 2 370.497 0.945 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887677 1201413579 /nfs/dbraw/zinc/41/35/79/1201413579.db2.gz LMTRWBQPLXTMMO-BMFZPTHFSA-N 2 2 361.450 0.137 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887677 1201413582 /nfs/dbraw/zinc/41/35/82/1201413582.db2.gz LMTRWBQPLXTMMO-BMFZPTHFSA-N 2 2 361.450 0.137 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887665 1201413832 /nfs/dbraw/zinc/41/38/32/1201413832.db2.gz KZKWCUWHYVXDKB-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887665 1201413835 /nfs/dbraw/zinc/41/38/35/1201413835.db2.gz KZKWCUWHYVXDKB-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NC(=O)NC(C)(C)C ZINC001129891095 1201415401 /nfs/dbraw/zinc/41/54/01/1201415401.db2.gz BRXISCUBKHRZFP-QJPTWQEYSA-N 2 2 364.450 0.232 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129897857 1201431421 /nfs/dbraw/zinc/43/14/21/1201431421.db2.gz KPNINAVBUMPZBT-SRABZTEZSA-N 2 2 373.461 0.573 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129897857 1201431425 /nfs/dbraw/zinc/43/14/25/1201431425.db2.gz KPNINAVBUMPZBT-SRABZTEZSA-N 2 2 373.461 0.573 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129901524 1201433590 /nfs/dbraw/zinc/43/35/90/1201433590.db2.gz YTWPJGTWCZBLKN-JHJVBQTASA-N 2 2 364.450 0.089 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2n2ccnn2)o1 ZINC001130137305 1201515555 /nfs/dbraw/zinc/51/55/55/1201515555.db2.gz RYRWJBZKJOMKMA-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2n2ccnn2)o1 ZINC001130137305 1201515560 /nfs/dbraw/zinc/51/55/60/1201515560.db2.gz RYRWJBZKJOMKMA-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CC1 ZINC001219921500 1224681366 /nfs/dbraw/zinc/68/13/66/1224681366.db2.gz KMTXFOJBQDHLQX-IKGGRYGDSA-N 2 2 366.462 0.326 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CC1 ZINC001219921500 1224681369 /nfs/dbraw/zinc/68/13/69/1224681369.db2.gz KMTXFOJBQDHLQX-IKGGRYGDSA-N 2 2 366.462 0.326 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940909 1224692184 /nfs/dbraw/zinc/69/21/84/1224692184.db2.gz IDBRGILUCGKQKH-ICSRJNTNSA-N 3 2 373.545 0.765 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940909 1224692189 /nfs/dbraw/zinc/69/21/89/1224692189.db2.gz IDBRGILUCGKQKH-ICSRJNTNSA-N 3 2 373.545 0.765 20 0 FCADLP Cc1c[nH]c(CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])[nH+]1 ZINC001219952284 1224697546 /nfs/dbraw/zinc/69/75/46/1224697546.db2.gz RDFFYEVQRKTPGP-INIZCTEOSA-N 2 2 368.441 0.544 20 0 FCADLP CN(OCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806210768 1202714133 /nfs/dbraw/zinc/71/41/33/1202714133.db2.gz ZRIXRRILSXHCDG-QGZVFWFLSA-N 2 2 374.485 0.861 20 0 FCADLP CN(OCc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806210768 1202714137 /nfs/dbraw/zinc/71/41/37/1202714137.db2.gz ZRIXRRILSXHCDG-QGZVFWFLSA-N 2 2 374.485 0.861 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522687 1202749362 /nfs/dbraw/zinc/74/93/62/1202749362.db2.gz LTLROLQJOCYAGZ-GDBMZVCRSA-N 2 2 361.490 0.819 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522687 1202749365 /nfs/dbraw/zinc/74/93/65/1202749365.db2.gz LTLROLQJOCYAGZ-GDBMZVCRSA-N 2 2 361.490 0.819 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cc[nH+]c3)n2)O1 ZINC001130793841 1202794406 /nfs/dbraw/zinc/79/44/06/1202794406.db2.gz CCMDFZFMJXYYDL-UONOGXRCSA-N 2 2 361.450 0.927 20 0 FCADLP COCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130819708 1202809089 /nfs/dbraw/zinc/80/90/89/1202809089.db2.gz FMFORFKRCBALEY-UONOGXRCSA-N 2 2 368.482 0.217 20 0 FCADLP COCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130819708 1202809092 /nfs/dbraw/zinc/80/90/92/1202809092.db2.gz FMFORFKRCBALEY-UONOGXRCSA-N 2 2 368.482 0.217 20 0 FCADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945812 1202827702 /nfs/dbraw/zinc/82/77/02/1202827702.db2.gz CFZAFPVNUNPCGN-NUJGCVRESA-N 2 2 361.490 0.601 20 0 FCADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945812 1202827703 /nfs/dbraw/zinc/82/77/03/1202827703.db2.gz CFZAFPVNUNPCGN-NUJGCVRESA-N 2 2 361.490 0.601 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038538 1202849610 /nfs/dbraw/zinc/84/96/10/1202849610.db2.gz XBURTUIPQJIWAK-HZPDHXFCSA-N 2 2 360.462 0.627 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1ncccn1 ZINC001131059817 1202853390 /nfs/dbraw/zinc/85/33/90/1202853390.db2.gz KAOAEIJNLNVXFV-HZPDHXFCSA-N 2 2 371.489 0.636 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079709 1202860231 /nfs/dbraw/zinc/86/02/31/1202860231.db2.gz QIURKGAMUHCBBF-HZPDHXFCSA-N 2 2 360.462 0.695 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C)OC ZINC001131130709 1202869077 /nfs/dbraw/zinc/86/90/77/1202869077.db2.gz ZMZYBEPAZIIQPT-BZUAXINKSA-N 2 2 360.462 0.626 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131132593 1202869887 /nfs/dbraw/zinc/86/98/87/1202869887.db2.gz MVUCVLRZBYXLLE-HZPDHXFCSA-N 2 2 360.462 0.627 20 0 FCADLP Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC001220082455 1224751305 /nfs/dbraw/zinc/75/13/05/1224751305.db2.gz ZFAVTCIUCNQCHO-IBGZPJMESA-N 2 2 370.501 0.856 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1C ZINC001086664913 1202886986 /nfs/dbraw/zinc/88/69/86/1202886986.db2.gz ISPBNSBYVWGNQC-RRFJBIMHSA-N 2 2 364.494 0.083 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1C ZINC001086664913 1202886989 /nfs/dbraw/zinc/88/69/89/1202886989.db2.gz ISPBNSBYVWGNQC-RRFJBIMHSA-N 2 2 364.494 0.083 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001090499934 1202890591 /nfs/dbraw/zinc/89/05/91/1202890591.db2.gz MSIUELAXHBBFFR-BFYDXBDKSA-N 2 2 361.490 0.914 20 0 FCADLP O=C(NCC[NH2+]CC[C@@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613620 1202921816 /nfs/dbraw/zinc/92/18/16/1202921816.db2.gz IIJDHJSLYAWXBF-KSZLIROESA-N 2 2 369.506 0.531 20 0 FCADLP O=C(NCC[NH2+]CCOCC1CCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613468 1202921867 /nfs/dbraw/zinc/92/18/67/1202921867.db2.gz BUHNWMWGICRACI-MSOLQXFVSA-N 2 2 369.506 0.389 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103460 1203003455 /nfs/dbraw/zinc/00/34/55/1203003455.db2.gz VOLWKJNQMXIIAC-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103460 1203003459 /nfs/dbraw/zinc/00/34/59/1203003459.db2.gz VOLWKJNQMXIIAC-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP COc1cccc([C@H](O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001134045533 1203010996 /nfs/dbraw/zinc/01/09/96/1203010996.db2.gz KNFLOWVKCGWHEE-JFIYKMOQSA-N 2 2 358.442 0.972 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000815871689 1203054996 /nfs/dbraw/zinc/05/49/96/1203054996.db2.gz SGPQMRYFYQDIHQ-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000815871689 1203054999 /nfs/dbraw/zinc/05/49/99/1203054999.db2.gz SGPQMRYFYQDIHQ-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086735513 1203061594 /nfs/dbraw/zinc/06/15/94/1203061594.db2.gz AGESEOVBNAXLHK-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737636 1203062239 /nfs/dbraw/zinc/06/22/39/1203062239.db2.gz RRORDSBILALIRZ-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cccc2[nH+]ccn21 ZINC001086756524 1203080060 /nfs/dbraw/zinc/08/00/60/1203080060.db2.gz CXCMBJJPQVPERG-BFHYXJOUSA-N 2 2 369.425 0.628 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817785201 1203117381 /nfs/dbraw/zinc/11/73/81/1203117381.db2.gz IITQXYTVBBRJOV-MRXNPFEDSA-N 2 2 370.457 0.745 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817981962 1203130243 /nfs/dbraw/zinc/13/02/43/1203130243.db2.gz AIVJIAARKWMGSA-CGTJXYLNSA-N 2 2 363.458 0.991 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110104022 1203209464 /nfs/dbraw/zinc/20/94/64/1203209464.db2.gz BNXOKIFTOLMKEJ-IEAZIUSSSA-N 2 2 359.474 0.828 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110104022 1203209472 /nfs/dbraw/zinc/20/94/72/1203209472.db2.gz BNXOKIFTOLMKEJ-IEAZIUSSSA-N 2 2 359.474 0.828 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090870754 1203321604 /nfs/dbraw/zinc/32/16/04/1203321604.db2.gz LUJOBYAOOQPKJM-JKSUJKDBSA-N 2 2 371.441 0.420 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000844192560 1203338708 /nfs/dbraw/zinc/33/87/08/1203338708.db2.gz YNBKGOFIOBCHLH-UHFFFAOYSA-N 2 2 354.458 0.607 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)C1 ZINC001220159907 1224790894 /nfs/dbraw/zinc/79/08/94/1224790894.db2.gz SBAPCGMNBBRIRI-INIZCTEOSA-N 2 2 359.426 0.967 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203767 1224802467 /nfs/dbraw/zinc/80/24/67/1224802467.db2.gz POAMFVNWZJGJGG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203767 1224802470 /nfs/dbraw/zinc/80/24/70/1224802470.db2.gz POAMFVNWZJGJGG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203767 1224802472 /nfs/dbraw/zinc/80/24/72/1224802472.db2.gz POAMFVNWZJGJGG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203767 1224802474 /nfs/dbraw/zinc/80/24/74/1224802474.db2.gz POAMFVNWZJGJGG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1O ZINC001220271849 1224818107 /nfs/dbraw/zinc/81/81/07/1224818107.db2.gz JLXCNPXCAZCRDF-XHSDSOJGSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1O ZINC001220271849 1224818109 /nfs/dbraw/zinc/81/81/09/1224818109.db2.gz JLXCNPXCAZCRDF-XHSDSOJGSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1O ZINC001220271849 1224818112 /nfs/dbraw/zinc/81/81/12/1224818112.db2.gz JLXCNPXCAZCRDF-XHSDSOJGSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1O ZINC001220271849 1224818114 /nfs/dbraw/zinc/81/81/14/1224818114.db2.gz JLXCNPXCAZCRDF-XHSDSOJGSA-N 2 2 365.478 0.054 20 0 FCADLP COCCn1c[nH+]cc1CNC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220275242 1224819317 /nfs/dbraw/zinc/81/93/17/1224819317.db2.gz WIZRJZYNNCAAKB-JXFKEZNVSA-N 2 2 369.469 0.872 20 0 FCADLP COCCc1nc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001091037562 1204456260 /nfs/dbraw/zinc/45/62/60/1204456260.db2.gz NSTQZMBHGOUSAH-XSCHDIRWSA-N 2 2 365.478 0.583 20 0 FCADLP COCCc1nc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001091037562 1204456266 /nfs/dbraw/zinc/45/62/66/1204456266.db2.gz NSTQZMBHGOUSAH-XSCHDIRWSA-N 2 2 365.478 0.583 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001144350384 1204473236 /nfs/dbraw/zinc/47/32/36/1204473236.db2.gz SNFWKYJVKHXZEP-GOSISDBHSA-N 2 2 373.501 0.801 20 0 FCADLP COC/C(C)=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000845450146 1204501610 /nfs/dbraw/zinc/50/16/10/1204501610.db2.gz VWKKTQVYYKSWHG-DTQAZKPQSA-N 2 2 366.506 0.276 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC001091239781 1204630543 /nfs/dbraw/zinc/63/05/43/1204630543.db2.gz JICNEEJSFMWXHT-NEXFUWMNSA-N 2 2 371.489 0.899 20 0 FCADLP Cn1cc(CC[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001091239942 1204630721 /nfs/dbraw/zinc/63/07/21/1204630721.db2.gz QTLFGGYLCPKHMP-BHUNQDJPSA-N 2 2 356.474 0.984 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358017 1224842299 /nfs/dbraw/zinc/84/22/99/1224842299.db2.gz OGWKIQBPONOHOE-LUKYLMHMSA-N 3 2 360.458 0.109 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358667 1224842678 /nfs/dbraw/zinc/84/26/78/1224842678.db2.gz WBRSVJMGMSSQKY-QZWWFDLISA-N 3 2 360.458 0.251 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855808 1204669118 /nfs/dbraw/zinc/66/91/18/1204669118.db2.gz LQCAOBCTJJORFF-HZPDHXFCSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855808 1204669120 /nfs/dbraw/zinc/66/91/20/1204669120.db2.gz LQCAOBCTJJORFF-HZPDHXFCSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855808 1204669122 /nfs/dbraw/zinc/66/91/22/1204669122.db2.gz LQCAOBCTJJORFF-HZPDHXFCSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855808 1204669124 /nfs/dbraw/zinc/66/91/24/1204669124.db2.gz LQCAOBCTJJORFF-HZPDHXFCSA-N 2 2 362.474 0.459 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530797 1204701540 /nfs/dbraw/zinc/70/15/40/1204701540.db2.gz HHYUXBGAUNJCQW-RKVPGOIHSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530797 1204701547 /nfs/dbraw/zinc/70/15/47/1204701547.db2.gz HHYUXBGAUNJCQW-RKVPGOIHSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091530797 1204701556 /nfs/dbraw/zinc/70/15/56/1204701556.db2.gz HHYUXBGAUNJCQW-RKVPGOIHSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530797 1204701563 /nfs/dbraw/zinc/70/15/63/1204701563.db2.gz HHYUXBGAUNJCQW-RKVPGOIHSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369452 1224846176 /nfs/dbraw/zinc/84/61/76/1224846176.db2.gz JWERTXWJEOJOGD-XHSDSOJGSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369452 1224846177 /nfs/dbraw/zinc/84/61/77/1224846177.db2.gz JWERTXWJEOJOGD-XHSDSOJGSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369452 1224846181 /nfs/dbraw/zinc/84/61/81/1224846181.db2.gz JWERTXWJEOJOGD-XHSDSOJGSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369452 1224846184 /nfs/dbraw/zinc/84/61/84/1224846184.db2.gz JWERTXWJEOJOGD-XHSDSOJGSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369450 1224846481 /nfs/dbraw/zinc/84/64/81/1224846481.db2.gz JWERTXWJEOJOGD-OAGGEKHMSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369450 1224846488 /nfs/dbraw/zinc/84/64/88/1224846488.db2.gz JWERTXWJEOJOGD-OAGGEKHMSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369450 1224846490 /nfs/dbraw/zinc/84/64/90/1224846490.db2.gz JWERTXWJEOJOGD-OAGGEKHMSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369450 1224846492 /nfs/dbraw/zinc/84/64/92/1224846492.db2.gz JWERTXWJEOJOGD-OAGGEKHMSA-N 2 2 370.538 0.286 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001220379685 1224850210 /nfs/dbraw/zinc/85/02/10/1224850210.db2.gz DFDYPRSVRCMIBK-IKGGRYGDSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001220379685 1224850214 /nfs/dbraw/zinc/85/02/14/1224850214.db2.gz DFDYPRSVRCMIBK-IKGGRYGDSA-N 2 2 368.522 0.279 20 0 FCADLP Cc1cncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1 ZINC001147400656 1204782431 /nfs/dbraw/zinc/78/24/31/1204782431.db2.gz NIPSQMVWSCJUQP-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1cncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1 ZINC001147400656 1204782435 /nfs/dbraw/zinc/78/24/35/1204782435.db2.gz NIPSQMVWSCJUQP-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001091634772 1204791197 /nfs/dbraw/zinc/79/11/97/1204791197.db2.gz FDVKLFCWVZNVQC-KDOFPFPSSA-N 2 2 360.462 0.148 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001091634772 1204791201 /nfs/dbraw/zinc/79/12/01/1204791201.db2.gz FDVKLFCWVZNVQC-KDOFPFPSSA-N 2 2 360.462 0.148 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091635432 1204791626 /nfs/dbraw/zinc/79/16/26/1204791626.db2.gz PWJHIYYKPGWNMQ-VCBZYWHSSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091635432 1204791635 /nfs/dbraw/zinc/79/16/35/1204791635.db2.gz PWJHIYYKPGWNMQ-VCBZYWHSSA-N 2 2 369.473 0.902 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664327 1204811077 /nfs/dbraw/zinc/81/10/77/1204811077.db2.gz HNLVKAWXBOQMGD-VKJFTORMSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664327 1204811078 /nfs/dbraw/zinc/81/10/78/1204811078.db2.gz HNLVKAWXBOQMGD-VKJFTORMSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664327 1204811083 /nfs/dbraw/zinc/81/10/83/1204811083.db2.gz HNLVKAWXBOQMGD-VKJFTORMSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666613 1204812852 /nfs/dbraw/zinc/81/28/52/1204812852.db2.gz CKIGICBUZODIQX-MDZRGWNJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666613 1204812856 /nfs/dbraw/zinc/81/28/56/1204812856.db2.gz CKIGICBUZODIQX-MDZRGWNJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666613 1204812857 /nfs/dbraw/zinc/81/28/57/1204812857.db2.gz CKIGICBUZODIQX-MDZRGWNJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666613 1204812858 /nfs/dbraw/zinc/81/28/58/1204812858.db2.gz CKIGICBUZODIQX-MDZRGWNJSA-N 2 2 360.506 0.968 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@]3(C)C2)n1C ZINC001091683039 1204821382 /nfs/dbraw/zinc/82/13/82/1204821382.db2.gz DRVJMFANMOSMMQ-NLDJYOPPSA-N 2 2 374.533 0.998 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@]3(C)C2)n1C ZINC001091683039 1204821383 /nfs/dbraw/zinc/82/13/83/1204821383.db2.gz DRVJMFANMOSMMQ-NLDJYOPPSA-N 2 2 374.533 0.998 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@]3(C)C2)n1C ZINC001091683039 1204821386 /nfs/dbraw/zinc/82/13/86/1204821386.db2.gz DRVJMFANMOSMMQ-NLDJYOPPSA-N 2 2 374.533 0.998 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@]3(C)C2)n1C ZINC001091683039 1204821388 /nfs/dbraw/zinc/82/13/88/1204821388.db2.gz DRVJMFANMOSMMQ-NLDJYOPPSA-N 2 2 374.533 0.998 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091691736 1204822417 /nfs/dbraw/zinc/82/24/17/1204822417.db2.gz XSSIRSFQWABLFT-KUHUBIRLSA-N 2 2 359.474 0.288 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091691736 1204822418 /nfs/dbraw/zinc/82/24/18/1204822418.db2.gz XSSIRSFQWABLFT-KUHUBIRLSA-N 2 2 359.474 0.288 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091738078 1204837939 /nfs/dbraw/zinc/83/79/39/1204837939.db2.gz PKTFMIQFNMRCGA-IIMJZQEZSA-N 2 2 371.485 0.819 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091738078 1204837941 /nfs/dbraw/zinc/83/79/41/1204837941.db2.gz PKTFMIQFNMRCGA-IIMJZQEZSA-N 2 2 371.485 0.819 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH2+]CCO)C3)ccn12 ZINC001086979094 1204877335 /nfs/dbraw/zinc/87/73/35/1204877335.db2.gz IOZGYEYNRUNZIH-DLBZAZTESA-N 2 2 368.441 0.566 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2[NH2+]CCO)cn1 ZINC001086987379 1204881236 /nfs/dbraw/zinc/88/12/36/1204881236.db2.gz PGWLOOQIKZKSCQ-LSDHHAIUSA-N 2 2 354.414 0.258 20 0 FCADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086999605 1204888892 /nfs/dbraw/zinc/88/88/92/1204888892.db2.gz MWYWZNQXENMEBZ-DLBZAZTESA-N 2 2 369.429 0.767 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001086999791 1204889105 /nfs/dbraw/zinc/88/91/05/1204889105.db2.gz WANYWPYXMWLXAH-DLBZAZTESA-N 2 2 368.445 0.167 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087038352 1204915751 /nfs/dbraw/zinc/91/57/51/1204915751.db2.gz BHOUHXSARCNZMN-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087038352 1204915753 /nfs/dbraw/zinc/91/57/53/1204915753.db2.gz BHOUHXSARCNZMN-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087049676 1204926493 /nfs/dbraw/zinc/92/64/93/1204926493.db2.gz ULHNQJKRVGBTQM-ZIAGYGMSSA-N 2 2 362.434 0.687 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087070916 1204957761 /nfs/dbraw/zinc/95/77/61/1204957761.db2.gz PPDDCKWNLQJCHU-IAGOWNOFSA-N 2 2 360.462 0.660 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087071056 1204960373 /nfs/dbraw/zinc/96/03/73/1204960373.db2.gz YCEYVHOQAADTJO-GDBMZVCRSA-N 2 2 361.450 0.055 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087088154 1204976753 /nfs/dbraw/zinc/97/67/53/1204976753.db2.gz LTCSOWSAJHWEFN-CZUORRHYSA-N 2 2 361.450 0.217 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001087093821 1204985615 /nfs/dbraw/zinc/98/56/15/1204985615.db2.gz DZAQWSWHMAGVJO-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)c1nncn1C ZINC001087103621 1205000654 /nfs/dbraw/zinc/00/06/54/1205000654.db2.gz QPBYLHMSXOLSGZ-RBSFLKMASA-N 2 2 361.450 0.226 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087096980 1205005747 /nfs/dbraw/zinc/00/57/47/1205005747.db2.gz NRAIVUKIMVMAAC-NVXWUHKLSA-N 2 2 360.462 0.349 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091797008 1205016089 /nfs/dbraw/zinc/01/60/89/1205016089.db2.gz DFSRZQVPNLUKIG-KHYOSLBOSA-N 2 2 369.473 0.555 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091797008 1205016092 /nfs/dbraw/zinc/01/60/92/1205016092.db2.gz DFSRZQVPNLUKIG-KHYOSLBOSA-N 2 2 369.473 0.555 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3nc(COC)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780570 1205026195 /nfs/dbraw/zinc/02/61/95/1205026195.db2.gz QLRNCIJMRPJMME-LBTNJELSSA-N 2 2 365.478 0.837 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nc(COC)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001091780570 1205026197 /nfs/dbraw/zinc/02/61/97/1205026197.db2.gz QLRNCIJMRPJMME-LBTNJELSSA-N 2 2 365.478 0.837 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857646 1205052979 /nfs/dbraw/zinc/05/29/79/1205052979.db2.gz PUKHAJULDUYDFF-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857646 1205052984 /nfs/dbraw/zinc/05/29/84/1205052984.db2.gz PUKHAJULDUYDFF-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1 ZINC001091857422 1205053125 /nfs/dbraw/zinc/05/31/25/1205053125.db2.gz HLJXVLNPXPWFQY-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1 ZINC001091857422 1205053129 /nfs/dbraw/zinc/05/31/29/1205053129.db2.gz HLJXVLNPXPWFQY-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001092004134 1205100341 /nfs/dbraw/zinc/10/03/41/1205100341.db2.gz WMXRLTJOSDSMNL-CLCXKQKWSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001092004134 1205100342 /nfs/dbraw/zinc/10/03/42/1205100342.db2.gz WMXRLTJOSDSMNL-CLCXKQKWSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1c1[nH+]cnc2c1cnn2C ZINC001092042712 1205110662 /nfs/dbraw/zinc/11/06/62/1205110662.db2.gz FLWVICMHIHZMBY-OCCSQVGLSA-N 2 2 357.462 0.789 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013036 1205113809 /nfs/dbraw/zinc/11/38/09/1205113809.db2.gz GKAWJDZLGMGASN-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013036 1205113815 /nfs/dbraw/zinc/11/38/15/1205113815.db2.gz GKAWJDZLGMGASN-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013036 1205113821 /nfs/dbraw/zinc/11/38/21/1205113821.db2.gz GKAWJDZLGMGASN-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013036 1205113827 /nfs/dbraw/zinc/11/38/27/1205113827.db2.gz GKAWJDZLGMGASN-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP C[C@]12CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001092063787 1205132297 /nfs/dbraw/zinc/13/22/97/1205132297.db2.gz RVIODVKEYCDPNI-MJGOQNOKSA-N 2 2 365.518 0.794 20 0 FCADLP C[C@]12CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092063787 1205132302 /nfs/dbraw/zinc/13/23/02/1205132302.db2.gz RVIODVKEYCDPNI-MJGOQNOKSA-N 2 2 365.518 0.794 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C)[NH+](C)C ZINC001092387128 1205270471 /nfs/dbraw/zinc/27/04/71/1205270471.db2.gz QLDNWJOPSVNBEW-NFAWXSAZSA-N 2 2 359.478 0.892 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3CCF)C[C@H]2C)CC[NH+]1C ZINC001092620539 1205329792 /nfs/dbraw/zinc/32/97/92/1205329792.db2.gz NECZYLHVQRDSFX-KLHDSHLOSA-N 2 2 366.485 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncnn3CCF)C[C@H]2C)CC[NH+]1C ZINC001092620539 1205329795 /nfs/dbraw/zinc/32/97/95/1205329795.db2.gz NECZYLHVQRDSFX-KLHDSHLOSA-N 2 2 366.485 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3CCF)C[C@H]2C)CC[N@@H+]1C ZINC001092620539 1205329796 /nfs/dbraw/zinc/32/97/96/1205329796.db2.gz NECZYLHVQRDSFX-KLHDSHLOSA-N 2 2 366.485 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3CCF)C[C@H]2C)CC[N@H+]1C ZINC001092620539 1205329797 /nfs/dbraw/zinc/32/97/97/1205329797.db2.gz NECZYLHVQRDSFX-KLHDSHLOSA-N 2 2 366.485 0.772 20 0 FCADLP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)OC(C)(C)O1 ZINC001220466521 1224882057 /nfs/dbraw/zinc/88/20/57/1224882057.db2.gz DJKMMARUTBAHLZ-MQYQWHSLSA-N 2 2 371.478 0.434 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001092747586 1205350924 /nfs/dbraw/zinc/35/09/24/1205350924.db2.gz DSMCNJFDRPIWJS-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001092747586 1205350925 /nfs/dbraw/zinc/35/09/25/1205350925.db2.gz DSMCNJFDRPIWJS-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753248 1205351251 /nfs/dbraw/zinc/35/12/51/1205351251.db2.gz CVQBVSWXHCNXSC-MGPQQGTHSA-N 2 2 365.478 0.511 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753248 1205351254 /nfs/dbraw/zinc/35/12/54/1205351254.db2.gz CVQBVSWXHCNXSC-MGPQQGTHSA-N 2 2 365.478 0.511 20 0 FCADLP COCCOCCOCCOCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220514594 1224898148 /nfs/dbraw/zinc/89/81/48/1224898148.db2.gz RFANROGWTIWBMA-KRWDZBQOSA-N 2 2 369.462 0.071 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545504 1224919516 /nfs/dbraw/zinc/91/95/16/1224919516.db2.gz BZNMNCNFGPAZBU-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220545504 1224919522 /nfs/dbraw/zinc/91/95/22/1224919522.db2.gz BZNMNCNFGPAZBU-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553778 1224925951 /nfs/dbraw/zinc/92/59/51/1224925951.db2.gz SJPOZLVJPLSYLP-OLMNPRSZSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553778 1224925958 /nfs/dbraw/zinc/92/59/58/1224925958.db2.gz SJPOZLVJPLSYLP-OLMNPRSZSA-N 2 2 365.449 0.770 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208697 1206057072 /nfs/dbraw/zinc/05/70/72/1206057072.db2.gz BGHAMULXVPADII-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208697 1206057075 /nfs/dbraw/zinc/05/70/75/1206057075.db2.gz BGHAMULXVPADII-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208697 1206057079 /nfs/dbraw/zinc/05/70/79/1206057079.db2.gz BGHAMULXVPADII-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208697 1206057082 /nfs/dbraw/zinc/05/70/82/1206057082.db2.gz BGHAMULXVPADII-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553217 1224926175 /nfs/dbraw/zinc/92/61/75/1224926175.db2.gz COPJAEOEQCJJJS-MSOLQXFVSA-N 2 2 363.458 0.079 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553217 1224926178 /nfs/dbraw/zinc/92/61/78/1224926178.db2.gz COPJAEOEQCJJJS-MSOLQXFVSA-N 2 2 363.458 0.079 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093289630 1206073807 /nfs/dbraw/zinc/07/38/07/1206073807.db2.gz VTJJKJBSVDLZIE-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2[nH+]ccn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454462 1206088117 /nfs/dbraw/zinc/08/81/17/1206088117.db2.gz FJRLQSBONBKJIM-VVWQDTPRSA-N 2 2 364.490 0.311 20 0 FCADLP COC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545559 1206091809 /nfs/dbraw/zinc/09/18/09/1206091809.db2.gz KKWVXYOSBIFNJF-IIDMSEBBSA-N 2 2 369.506 0.432 20 0 FCADLP COC[C@@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545559 1206091811 /nfs/dbraw/zinc/09/18/11/1206091811.db2.gz KKWVXYOSBIFNJF-IIDMSEBBSA-N 2 2 369.506 0.432 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093691427 1206100898 /nfs/dbraw/zinc/10/08/98/1206100898.db2.gz UXJJZDNWDGRICI-BMFZPTHFSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093691427 1206100905 /nfs/dbraw/zinc/10/09/05/1206100905.db2.gz UXJJZDNWDGRICI-BMFZPTHFSA-N 2 2 364.494 0.121 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857666 1206135379 /nfs/dbraw/zinc/13/53/79/1206135379.db2.gz QTIBZZJSSXIEHE-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857666 1206135380 /nfs/dbraw/zinc/13/53/80/1206135380.db2.gz QTIBZZJSSXIEHE-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)nn1 ZINC001093871496 1206138266 /nfs/dbraw/zinc/13/82/66/1206138266.db2.gz NPHQYWHRQVRKKY-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093871253 1206138703 /nfs/dbraw/zinc/13/87/03/1206138703.db2.gz HRHWWQZQQCDQJF-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C)[nH]1 ZINC001093872994 1206139219 /nfs/dbraw/zinc/13/92/19/1206139219.db2.gz FEHUQJIKZRMFPR-VHDGCEQUSA-N 2 2 357.462 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093874045 1206140212 /nfs/dbraw/zinc/14/02/12/1206140212.db2.gz VZAQYRLQXAFHCC-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094034972 1206172975 /nfs/dbraw/zinc/17/29/75/1206172975.db2.gz YXGXPLGWRRQTQY-MCIONIFRSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094132379 1206189386 /nfs/dbraw/zinc/18/93/86/1206189386.db2.gz FUJFPRSHBIZSFW-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094132388 1206189650 /nfs/dbraw/zinc/18/96/50/1206189650.db2.gz GNHVRCJDPMMEMT-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001094132543 1206190239 /nfs/dbraw/zinc/19/02/39/1206190239.db2.gz JWIRQCPHXGBNCV-ZIAGYGMSSA-N 2 2 360.466 0.623 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094132630 1206190407 /nfs/dbraw/zinc/19/04/07/1206190407.db2.gz NYSQVMSVCYUHDJ-JHJVBQTASA-N 2 2 358.450 0.719 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001094196253 1206206389 /nfs/dbraw/zinc/20/63/89/1206206389.db2.gz DNTCXAXUGNFAMG-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001094234639 1206209067 /nfs/dbraw/zinc/20/90/67/1206209067.db2.gz GVNFNCYEKIJBGH-UNEWFSDZSA-N 2 2 363.462 0.365 20 0 FCADLP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001094254126 1206211207 /nfs/dbraw/zinc/21/12/07/1206211207.db2.gz WGTUHIZTDZGBRN-ZIAGYGMSSA-N 2 2 362.434 0.339 20 0 FCADLP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1=O ZINC001094254832 1206212931 /nfs/dbraw/zinc/21/29/31/1206212931.db2.gz ONOAXJQJJBHEDL-ZIAGYGMSSA-N 2 2 360.414 0.729 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2ncccn2)CC3)C1 ZINC001094385019 1206222575 /nfs/dbraw/zinc/22/25/75/1206222575.db2.gz WVTGRWRIJUNPOZ-FRQCXROJSA-N 2 2 359.474 0.668 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2ncccn2)CC3)C1 ZINC001094385019 1206222578 /nfs/dbraw/zinc/22/25/78/1206222578.db2.gz WVTGRWRIJUNPOZ-FRQCXROJSA-N 2 2 359.474 0.668 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ncccn2)CC3)C1 ZINC001094385019 1206222580 /nfs/dbraw/zinc/22/25/80/1206222580.db2.gz WVTGRWRIJUNPOZ-FRQCXROJSA-N 2 2 359.474 0.668 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2ncccn2)CC3)C1 ZINC001094385019 1206222581 /nfs/dbraw/zinc/22/25/81/1206222581.db2.gz WVTGRWRIJUNPOZ-FRQCXROJSA-N 2 2 359.474 0.668 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001110156809 1206224257 /nfs/dbraw/zinc/22/42/57/1206224257.db2.gz AVCBMYUZYPUSLM-NCOADZHNSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001110156809 1206224260 /nfs/dbraw/zinc/22/42/60/1206224260.db2.gz AVCBMYUZYPUSLM-NCOADZHNSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110156809 1206224264 /nfs/dbraw/zinc/22/42/64/1206224264.db2.gz AVCBMYUZYPUSLM-NCOADZHNSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110156809 1206224266 /nfs/dbraw/zinc/22/42/66/1206224266.db2.gz AVCBMYUZYPUSLM-NCOADZHNSA-N 2 2 366.506 0.201 20 0 FCADLP COCCC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001172255956 1206260306 /nfs/dbraw/zinc/26/03/06/1206260306.db2.gz PNPGIALWEAIESY-UHFFFAOYSA-N 3 2 366.550 0.973 20 0 FCADLP COCCC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC001172255956 1206260310 /nfs/dbraw/zinc/26/03/10/1206260310.db2.gz PNPGIALWEAIESY-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@@H+]3CCO[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026847 1206265489 /nfs/dbraw/zinc/26/54/89/1206265489.db2.gz QAQZEABGBHCIJZ-RDJZCZTQSA-N 2 2 363.458 0.854 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@H+]3CCO[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026847 1206265493 /nfs/dbraw/zinc/26/54/93/1206265493.db2.gz QAQZEABGBHCIJZ-RDJZCZTQSA-N 2 2 363.458 0.854 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173571404 1206280803 /nfs/dbraw/zinc/28/08/03/1206280803.db2.gz WPDKHOJGIWLHQU-VQHPVUNQSA-N 2 2 368.474 0.818 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173571404 1206280805 /nfs/dbraw/zinc/28/08/05/1206280805.db2.gz WPDKHOJGIWLHQU-VQHPVUNQSA-N 2 2 368.474 0.818 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220574951 1224941099 /nfs/dbraw/zinc/94/10/99/1224941099.db2.gz LONYZTIQRYDPBX-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220574951 1224941105 /nfs/dbraw/zinc/94/11/05/1224941105.db2.gz LONYZTIQRYDPBX-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)C(C)C ZINC001220573079 1224941497 /nfs/dbraw/zinc/94/14/97/1224941497.db2.gz PCYWMAJTXQWASJ-VYDXJSESSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)C(C)C ZINC001220573079 1224941506 /nfs/dbraw/zinc/94/15/06/1224941506.db2.gz PCYWMAJTXQWASJ-VYDXJSESSA-N 2 2 370.538 0.429 20 0 FCADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001178721613 1206362028 /nfs/dbraw/zinc/36/20/28/1206362028.db2.gz GYYGDMYOHVRXQY-QXSJWSMHSA-N 2 2 359.474 0.479 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220583310 1224948651 /nfs/dbraw/zinc/94/86/51/1224948651.db2.gz SYPAMTVQLWQOLF-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220583310 1224948667 /nfs/dbraw/zinc/94/86/67/1224948667.db2.gz SYPAMTVQLWQOLF-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178997861 1206370477 /nfs/dbraw/zinc/37/04/77/1206370477.db2.gz UUCMDCPMEIYJHA-QGZVFWFLSA-N 3 2 361.490 0.951 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178997861 1206370480 /nfs/dbraw/zinc/37/04/80/1206370480.db2.gz UUCMDCPMEIYJHA-QGZVFWFLSA-N 3 2 361.490 0.951 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001180758196 1206398555 /nfs/dbraw/zinc/39/85/55/1206398555.db2.gz AGDBNNFGQUNNMJ-APWZRJJASA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180758196 1206398556 /nfs/dbraw/zinc/39/85/56/1206398556.db2.gz AGDBNNFGQUNNMJ-APWZRJJASA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758196 1206398557 /nfs/dbraw/zinc/39/85/57/1206398557.db2.gz AGDBNNFGQUNNMJ-APWZRJJASA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758196 1206398558 /nfs/dbraw/zinc/39/85/58/1206398558.db2.gz AGDBNNFGQUNNMJ-APWZRJJASA-N 2 2 361.442 0.251 20 0 FCADLP Nc1cc(CC(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)cc[nH+]1 ZINC001181248142 1206406237 /nfs/dbraw/zinc/40/62/37/1206406237.db2.gz DZPAOWVBJZSYMA-HRCADAONSA-N 2 2 368.441 0.654 20 0 FCADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000774548733 1206444241 /nfs/dbraw/zinc/44/42/41/1206444241.db2.gz BAFNFILQJLQPLD-IBGZPJMESA-N 2 2 367.490 0.790 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185750455 1206485874 /nfs/dbraw/zinc/48/58/74/1206485874.db2.gz YQYXRHNLWIFHTQ-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001186039654 1206491047 /nfs/dbraw/zinc/49/10/47/1206491047.db2.gz ZFFPPCAPBUVDBI-INIZCTEOSA-N 2 2 370.457 0.024 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001186039654 1206491049 /nfs/dbraw/zinc/49/10/49/1206491049.db2.gz ZFFPPCAPBUVDBI-INIZCTEOSA-N 2 2 370.457 0.024 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001273543530 1207374168 /nfs/dbraw/zinc/37/41/68/1207374168.db2.gz FLBAFZCNERSSGJ-DNVCBOLYSA-N 2 2 361.490 0.991 20 0 FCADLP Cc1[nH]ccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001188152684 1207428796 /nfs/dbraw/zinc/42/87/96/1207428796.db2.gz FWCMSJSTPGRVKU-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP Cc1[nH]ccc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001188152684 1207428798 /nfs/dbraw/zinc/42/87/98/1207428798.db2.gz FWCMSJSTPGRVKU-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724115 1207477050 /nfs/dbraw/zinc/47/70/50/1207477050.db2.gz MMBVSPAALGABED-YESZJQIVSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724115 1207477052 /nfs/dbraw/zinc/47/70/52/1207477052.db2.gz MMBVSPAALGABED-YESZJQIVSA-N 2 2 361.490 0.967 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)C1CC1 ZINC001188724104 1207477373 /nfs/dbraw/zinc/47/73/73/1207477373.db2.gz MILGUGTZVAYINI-DOTOQJQBSA-N 2 2 359.474 0.817 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)C1CC1 ZINC001188724104 1207477377 /nfs/dbraw/zinc/47/73/77/1207477377.db2.gz MILGUGTZVAYINI-DOTOQJQBSA-N 2 2 359.474 0.817 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC001189054666 1207498641 /nfs/dbraw/zinc/49/86/41/1207498641.db2.gz JPHNIASEBKWMRP-DZGCQCFKSA-N 2 2 358.446 0.007 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC001189054666 1207498646 /nfs/dbraw/zinc/49/86/46/1207498646.db2.gz JPHNIASEBKWMRP-DZGCQCFKSA-N 2 2 358.446 0.007 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786585 1207600750 /nfs/dbraw/zinc/60/07/50/1207600750.db2.gz FVYPZRZRRHNYCU-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786585 1207600757 /nfs/dbraw/zinc/60/07/57/1207600757.db2.gz FVYPZRZRRHNYCU-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP CCc1noc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189820019 1207604561 /nfs/dbraw/zinc/60/45/61/1207604561.db2.gz KPMCTUFZPKDXPU-SOUVJXGZSA-N 2 2 365.478 0.804 20 0 FCADLP CCc1noc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189820019 1207604565 /nfs/dbraw/zinc/60/45/65/1207604565.db2.gz KPMCTUFZPKDXPU-SOUVJXGZSA-N 2 2 365.478 0.804 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681800 1225009378 /nfs/dbraw/zinc/00/93/78/1225009378.db2.gz PVQFIKCKUOPOTC-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681800 1225009384 /nfs/dbraw/zinc/00/93/84/1225009384.db2.gz PVQFIKCKUOPOTC-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681800 1225009392 /nfs/dbraw/zinc/00/93/92/1225009392.db2.gz PVQFIKCKUOPOTC-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681800 1225009399 /nfs/dbraw/zinc/00/93/99/1225009399.db2.gz PVQFIKCKUOPOTC-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)NCc1cccnc1 ZINC001190168123 1207655831 /nfs/dbraw/zinc/65/58/31/1207655831.db2.gz MZRPWDOTIQBMBW-ZWKOTPCHSA-N 2 2 371.485 0.326 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)NCc1cccnc1 ZINC001190168123 1207655840 /nfs/dbraw/zinc/65/58/40/1207655840.db2.gz MZRPWDOTIQBMBW-ZWKOTPCHSA-N 2 2 371.485 0.326 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263608 1207670197 /nfs/dbraw/zinc/67/01/97/1207670197.db2.gz WIQHEOYOPZJOMQ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263608 1207670201 /nfs/dbraw/zinc/67/02/01/1207670201.db2.gz WIQHEOYOPZJOMQ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263608 1207670203 /nfs/dbraw/zinc/67/02/03/1207670203.db2.gz WIQHEOYOPZJOMQ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263608 1207670206 /nfs/dbraw/zinc/67/02/06/1207670206.db2.gz WIQHEOYOPZJOMQ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220687808 1225012325 /nfs/dbraw/zinc/01/23/25/1225012325.db2.gz UPPOXQKVPHNHSY-MBOZVWFJSA-N 2 2 356.470 0.493 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190480820 1207686690 /nfs/dbraw/zinc/68/66/90/1207686690.db2.gz MHWAUESQSXLLHC-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190480820 1207686695 /nfs/dbraw/zinc/68/66/95/1207686695.db2.gz MHWAUESQSXLLHC-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466933 1207690778 /nfs/dbraw/zinc/69/07/78/1207690778.db2.gz IPDJOKDYNSCGKM-OKZBNKHCSA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466933 1207690780 /nfs/dbraw/zinc/69/07/80/1207690780.db2.gz IPDJOKDYNSCGKM-OKZBNKHCSA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466933 1207690783 /nfs/dbraw/zinc/69/07/83/1207690783.db2.gz IPDJOKDYNSCGKM-OKZBNKHCSA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466933 1207690786 /nfs/dbraw/zinc/69/07/86/1207690786.db2.gz IPDJOKDYNSCGKM-OKZBNKHCSA-N 2 2 358.486 0.915 20 0 FCADLP C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000775403326 1207715143 /nfs/dbraw/zinc/71/51/43/1207715143.db2.gz FYLBGRLAVDDGNO-OAHLLOKOSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000775403326 1207715150 /nfs/dbraw/zinc/71/51/50/1207715150.db2.gz FYLBGRLAVDDGNO-OAHLLOKOSA-N 2 2 369.510 0.931 20 0 FCADLP CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c2ccccc2)c1 ZINC001220700856 1225022551 /nfs/dbraw/zinc/02/25/51/1225022551.db2.gz QEMFNXXFBJDIII-RYQLBKOJSA-N 2 2 373.478 0.985 20 0 FCADLP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639850 1207841043 /nfs/dbraw/zinc/84/10/43/1207841043.db2.gz KLVXOAIIPCJHHL-HZPDHXFCSA-N 2 2 358.442 0.891 20 0 FCADLP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639850 1207841045 /nfs/dbraw/zinc/84/10/45/1207841045.db2.gz KLVXOAIIPCJHHL-HZPDHXFCSA-N 2 2 358.442 0.891 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2)o1 ZINC001193447114 1207873344 /nfs/dbraw/zinc/87/33/44/1207873344.db2.gz JNCZWIMLQGFNAO-RRFJBIMHSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2)o1 ZINC001193447114 1207873346 /nfs/dbraw/zinc/87/33/46/1207873346.db2.gz JNCZWIMLQGFNAO-RRFJBIMHSA-N 2 2 370.469 0.887 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737987 1207886371 /nfs/dbraw/zinc/88/63/71/1207886371.db2.gz LGMLPDTZVLPGOJ-ARFHVFGLSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737987 1207886372 /nfs/dbraw/zinc/88/63/72/1207886372.db2.gz LGMLPDTZVLPGOJ-ARFHVFGLSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737987 1207886373 /nfs/dbraw/zinc/88/63/73/1207886373.db2.gz LGMLPDTZVLPGOJ-ARFHVFGLSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737987 1207886375 /nfs/dbraw/zinc/88/63/75/1207886375.db2.gz LGMLPDTZVLPGOJ-ARFHVFGLSA-N 2 2 368.522 0.040 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193744968 1207886979 /nfs/dbraw/zinc/88/69/79/1207886979.db2.gz AKVDPMNNVMQZJZ-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193744968 1207886980 /nfs/dbraw/zinc/88/69/80/1207886980.db2.gz AKVDPMNNVMQZJZ-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)CCC1 ZINC001193773672 1207887864 /nfs/dbraw/zinc/88/78/64/1207887864.db2.gz BLDCSTMARWSTKO-HZPDHXFCSA-N 2 2 365.449 0.850 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774291 1207888562 /nfs/dbraw/zinc/88/85/62/1207888562.db2.gz KXALWEZDLSWOSC-HZPDHXFCSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774291 1207888564 /nfs/dbraw/zinc/88/85/64/1207888564.db2.gz KXALWEZDLSWOSC-HZPDHXFCSA-N 2 2 365.449 0.980 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CC1 ZINC001193791075 1207889127 /nfs/dbraw/zinc/88/91/27/1207889127.db2.gz DWRVQDOHIWHOLP-KURKYZTESA-N 2 2 365.449 0.320 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CC1 ZINC001193791075 1207889129 /nfs/dbraw/zinc/88/91/29/1207889129.db2.gz DWRVQDOHIWHOLP-KURKYZTESA-N 2 2 365.449 0.320 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001193757317 1207890232 /nfs/dbraw/zinc/89/02/32/1207890232.db2.gz YVQFZFNCSAFDOJ-GUDVDZBRSA-N 2 2 371.485 0.217 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001193757317 1207890234 /nfs/dbraw/zinc/89/02/34/1207890234.db2.gz YVQFZFNCSAFDOJ-GUDVDZBRSA-N 2 2 371.485 0.217 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CCC1 ZINC001193821402 1207892269 /nfs/dbraw/zinc/89/22/69/1207892269.db2.gz GVBMWMDTXJQQPU-IAGOWNOFSA-N 2 2 363.506 0.784 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CCC1 ZINC001193821402 1207892271 /nfs/dbraw/zinc/89/22/71/1207892271.db2.gz GVBMWMDTXJQQPU-IAGOWNOFSA-N 2 2 363.506 0.784 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CCC1 ZINC001193821402 1207892273 /nfs/dbraw/zinc/89/22/73/1207892273.db2.gz GVBMWMDTXJQQPU-IAGOWNOFSA-N 2 2 363.506 0.784 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CCC1 ZINC001193821402 1207892276 /nfs/dbraw/zinc/89/22/76/1207892276.db2.gz GVBMWMDTXJQQPU-IAGOWNOFSA-N 2 2 363.506 0.784 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1)C1CC1 ZINC001193893098 1207897945 /nfs/dbraw/zinc/89/79/45/1207897945.db2.gz ZEWVVABPZGUPGY-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1)C1CC1 ZINC001193893098 1207897947 /nfs/dbraw/zinc/89/79/47/1207897947.db2.gz ZEWVVABPZGUPGY-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001193893098 1207897948 /nfs/dbraw/zinc/89/79/48/1207897948.db2.gz ZEWVVABPZGUPGY-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001193893098 1207897950 /nfs/dbraw/zinc/89/79/50/1207897950.db2.gz ZEWVVABPZGUPGY-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001193960680 1207902346 /nfs/dbraw/zinc/90/23/46/1207902346.db2.gz ATHHIKCWEMEREW-NUJGCVRESA-N 2 2 367.465 0.952 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001193960680 1207902348 /nfs/dbraw/zinc/90/23/48/1207902348.db2.gz ATHHIKCWEMEREW-NUJGCVRESA-N 2 2 367.465 0.952 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194250892 1207927602 /nfs/dbraw/zinc/92/76/02/1207927602.db2.gz IORKQCNXYFKBAC-CGTJXYLNSA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194250892 1207927605 /nfs/dbraw/zinc/92/76/05/1207927605.db2.gz IORKQCNXYFKBAC-CGTJXYLNSA-N 2 2 364.490 0.670 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264764 1207928908 /nfs/dbraw/zinc/92/89/08/1207928908.db2.gz GAAFMOOKQWUYBC-RRFJBIMHSA-N 2 2 370.538 0.571 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264764 1207928910 /nfs/dbraw/zinc/92/89/10/1207928910.db2.gz GAAFMOOKQWUYBC-RRFJBIMHSA-N 2 2 370.538 0.571 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264764 1207928912 /nfs/dbraw/zinc/92/89/12/1207928912.db2.gz GAAFMOOKQWUYBC-RRFJBIMHSA-N 2 2 370.538 0.571 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264764 1207928914 /nfs/dbraw/zinc/92/89/14/1207928914.db2.gz GAAFMOOKQWUYBC-RRFJBIMHSA-N 2 2 370.538 0.571 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1=O ZINC001194298609 1207930226 /nfs/dbraw/zinc/93/02/26/1207930226.db2.gz HQPUICDNPQWQFC-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1=O ZINC001194298609 1207930231 /nfs/dbraw/zinc/93/02/31/1207930231.db2.gz HQPUICDNPQWQFC-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1=O ZINC001194298609 1207930236 /nfs/dbraw/zinc/93/02/36/1207930236.db2.gz HQPUICDNPQWQFC-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1=O ZINC001194298609 1207930242 /nfs/dbraw/zinc/93/02/42/1207930242.db2.gz HQPUICDNPQWQFC-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321021 1207932945 /nfs/dbraw/zinc/93/29/45/1207932945.db2.gz DCFNWQNGVAWJOV-IAGOWNOFSA-N 2 2 363.506 0.734 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321021 1207932947 /nfs/dbraw/zinc/93/29/47/1207932947.db2.gz DCFNWQNGVAWJOV-IAGOWNOFSA-N 2 2 363.506 0.734 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCCC1 ZINC001194909351 1207982146 /nfs/dbraw/zinc/98/21/46/1207982146.db2.gz NRALXAJTZIGCNA-ZACQAIPSSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCCC1 ZINC001194909351 1207982148 /nfs/dbraw/zinc/98/21/48/1207982148.db2.gz NRALXAJTZIGCNA-ZACQAIPSSA-N 2 2 364.490 0.719 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C2)cn1 ZINC001194982745 1207986608 /nfs/dbraw/zinc/98/66/08/1207986608.db2.gz RUNGHYGUJUJVLA-IAGOWNOFSA-N 2 2 363.506 0.594 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C2)cn1 ZINC001194982745 1207986611 /nfs/dbraw/zinc/98/66/11/1207986611.db2.gz RUNGHYGUJUJVLA-IAGOWNOFSA-N 2 2 363.506 0.594 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001195129054 1208001425 /nfs/dbraw/zinc/00/14/25/1208001425.db2.gz WDFXEVUULTVSSU-QZTJIDSGSA-N 2 2 370.453 0.612 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001195129054 1208001427 /nfs/dbraw/zinc/00/14/27/1208001427.db2.gz WDFXEVUULTVSSU-QZTJIDSGSA-N 2 2 370.453 0.612 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1O)CC2 ZINC001195640651 1208030857 /nfs/dbraw/zinc/03/08/57/1208030857.db2.gz JHAHHQQABDEQQG-KBAYOESNSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O)CC2 ZINC001195640651 1208030863 /nfs/dbraw/zinc/03/08/63/1208030863.db2.gz JHAHHQQABDEQQG-KBAYOESNSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@H]1O)CC2 ZINC001195640829 1208030986 /nfs/dbraw/zinc/03/09/86/1208030986.db2.gz QGQAZYOUQYJUTI-KBAYOESNSA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@H]1O)CC2 ZINC001195640829 1208030989 /nfs/dbraw/zinc/03/09/89/1208030989.db2.gz QGQAZYOUQYJUTI-KBAYOESNSA-N 2 2 362.474 0.342 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677096 1208032399 /nfs/dbraw/zinc/03/23/99/1208032399.db2.gz MJMBSZGEWBJHNZ-RRFJBIMHSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677096 1208032402 /nfs/dbraw/zinc/03/24/02/1208032402.db2.gz MJMBSZGEWBJHNZ-RRFJBIMHSA-N 2 2 368.522 0.183 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195708021 1208036069 /nfs/dbraw/zinc/03/60/69/1208036069.db2.gz CKCLDJPPPGJARN-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195708021 1208036072 /nfs/dbraw/zinc/03/60/72/1208036072.db2.gz CKCLDJPPPGJARN-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708747 1208036448 /nfs/dbraw/zinc/03/64/48/1208036448.db2.gz SXGBYLBVVMHNNW-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708747 1208036452 /nfs/dbraw/zinc/03/64/52/1208036452.db2.gz SXGBYLBVVMHNNW-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001195893208 1208043663 /nfs/dbraw/zinc/04/36/63/1208043663.db2.gz BIAINCIRYLOZIP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC001195893208 1208043667 /nfs/dbraw/zinc/04/36/67/1208043667.db2.gz BIAINCIRYLOZIP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)NC[C@H]3CCCO3)CC2)CC[NH+]1C ZINC001195893208 1208043671 /nfs/dbraw/zinc/04/36/71/1208043671.db2.gz BIAINCIRYLOZIP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC[C@H]3CCCO3)CC2)CC[NH+]1C ZINC001195893208 1208043675 /nfs/dbraw/zinc/04/36/75/1208043675.db2.gz BIAINCIRYLOZIP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C)C(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195872356 1208045917 /nfs/dbraw/zinc/04/59/17/1208045917.db2.gz YEKTVLXNGZGKBI-IAGOWNOFSA-N 2 2 362.474 0.001 20 0 FCADLP CN(C)C(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001195872356 1208045921 /nfs/dbraw/zinc/04/59/21/1208045921.db2.gz YEKTVLXNGZGKBI-IAGOWNOFSA-N 2 2 362.474 0.001 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001195972448 1208048752 /nfs/dbraw/zinc/04/87/52/1208048752.db2.gz FMOSQNFSHMAEFP-JFIYKMOQSA-N 2 2 370.538 0.379 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O)[NH+](C)C ZINC001195972609 1208048766 /nfs/dbraw/zinc/04/87/66/1208048766.db2.gz GLZZMDYQVAVBTA-JFIYKMOQSA-N 2 2 368.522 0.137 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115404 1208058500 /nfs/dbraw/zinc/05/85/00/1208058500.db2.gz MWKFYCVABANXMP-BRWVUGGUSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115404 1208058507 /nfs/dbraw/zinc/05/85/07/1208058507.db2.gz MWKFYCVABANXMP-BRWVUGGUSA-N 2 2 364.490 0.872 20 0 FCADLP C[NH+](C)[C@](C)(C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220738251 1225047243 /nfs/dbraw/zinc/04/72/43/1225047243.db2.gz UGEKMLCOJIJYIL-HBFSDRIKSA-N 2 2 371.485 0.521 20 0 FCADLP C[NH+](C)[C@](C)(C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220738251 1225047250 /nfs/dbraw/zinc/04/72/50/1225047250.db2.gz UGEKMLCOJIJYIL-HBFSDRIKSA-N 2 2 371.485 0.521 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197049331 1208130998 /nfs/dbraw/zinc/13/09/98/1208130998.db2.gz MJQWVGDJVDCCSX-GVDBMIGSSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197049331 1208131000 /nfs/dbraw/zinc/13/10/00/1208131000.db2.gz MJQWVGDJVDCCSX-GVDBMIGSSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O)C(C)C ZINC001197018192 1208132092 /nfs/dbraw/zinc/13/20/92/1208132092.db2.gz PJBMIZKDRLBNAO-KURKYZTESA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O)C(C)C ZINC001197018192 1208132094 /nfs/dbraw/zinc/13/20/94/1208132094.db2.gz PJBMIZKDRLBNAO-KURKYZTESA-N 2 2 363.506 0.813 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294502 1208154099 /nfs/dbraw/zinc/15/40/99/1208154099.db2.gz AAMLFWJCXXBDAA-PVAVHDDUSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294502 1208154100 /nfs/dbraw/zinc/15/41/00/1208154100.db2.gz AAMLFWJCXXBDAA-PVAVHDDUSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294502 1208154101 /nfs/dbraw/zinc/15/41/01/1208154101.db2.gz AAMLFWJCXXBDAA-PVAVHDDUSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294502 1208154102 /nfs/dbraw/zinc/15/41/02/1208154102.db2.gz AAMLFWJCXXBDAA-PVAVHDDUSA-N 2 2 369.473 0.768 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001197493319 1208171619 /nfs/dbraw/zinc/17/16/19/1208171619.db2.gz IDXKRPBXKFESRT-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001197493319 1208171620 /nfs/dbraw/zinc/17/16/20/1208171620.db2.gz IDXKRPBXKFESRT-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001197493319 1208171621 /nfs/dbraw/zinc/17/16/21/1208171621.db2.gz IDXKRPBXKFESRT-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001197493319 1208171622 /nfs/dbraw/zinc/17/16/22/1208171622.db2.gz IDXKRPBXKFESRT-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001197948030 1208208691 /nfs/dbraw/zinc/20/86/91/1208208691.db2.gz CZEWVAGXNCRUDJ-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001197948030 1208208694 /nfs/dbraw/zinc/20/86/94/1208208694.db2.gz CZEWVAGXNCRUDJ-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001198019380 1208211518 /nfs/dbraw/zinc/21/15/18/1208211518.db2.gz ZAHLPTMEXONPSW-RBUKOAKNSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001198019380 1208211521 /nfs/dbraw/zinc/21/15/21/1208211521.db2.gz ZAHLPTMEXONPSW-RBUKOAKNSA-N 2 2 363.502 0.885 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048810 1208213576 /nfs/dbraw/zinc/21/35/76/1208213576.db2.gz ZWWCXJRBWWPEMP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048810 1208213579 /nfs/dbraw/zinc/21/35/79/1208213579.db2.gz ZWWCXJRBWWPEMP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048810 1208213583 /nfs/dbraw/zinc/21/35/83/1208213583.db2.gz ZWWCXJRBWWPEMP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048810 1208213586 /nfs/dbraw/zinc/21/35/86/1208213586.db2.gz ZWWCXJRBWWPEMP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110506387 1208239266 /nfs/dbraw/zinc/23/92/66/1208239266.db2.gz PLSYUMOPWMBAPK-MCIONIFRSA-N 2 2 359.430 0.213 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110506387 1208239269 /nfs/dbraw/zinc/23/92/69/1208239269.db2.gz PLSYUMOPWMBAPK-MCIONIFRSA-N 2 2 359.430 0.213 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001110506499 1208239611 /nfs/dbraw/zinc/23/96/11/1208239611.db2.gz UOOCXGNRYIZLBV-MCIONIFRSA-N 2 2 374.445 0.006 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001110506499 1208239613 /nfs/dbraw/zinc/23/96/13/1208239613.db2.gz UOOCXGNRYIZLBV-MCIONIFRSA-N 2 2 374.445 0.006 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743762 1208285795 /nfs/dbraw/zinc/28/57/95/1208285795.db2.gz FJHYEBXZYCVILG-DJIMGWMZSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743762 1208285797 /nfs/dbraw/zinc/28/57/97/1208285797.db2.gz FJHYEBXZYCVILG-DJIMGWMZSA-N 2 2 366.506 0.081 20 0 FCADLP CC(C)CN1CCO[C@H](C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001198900727 1208299289 /nfs/dbraw/zinc/29/92/89/1208299289.db2.gz KLLBBHSDFZZGMI-GOSISDBHSA-N 2 2 362.522 0.675 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071360 1208316382 /nfs/dbraw/zinc/31/63/82/1208316382.db2.gz SRKDSRYPTYRILK-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071360 1208316385 /nfs/dbraw/zinc/31/63/85/1208316385.db2.gz SRKDSRYPTYRILK-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001199119588 1208319232 /nfs/dbraw/zinc/31/92/32/1208319232.db2.gz LGRHHVXORPMQHK-KZNAEPCWSA-N 2 2 357.458 0.347 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001199119588 1208319233 /nfs/dbraw/zinc/31/92/33/1208319233.db2.gz LGRHHVXORPMQHK-KZNAEPCWSA-N 2 2 357.458 0.347 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370022 1208343625 /nfs/dbraw/zinc/34/36/25/1208343625.db2.gz HBJLBAIFOUGPHR-KBAYOESNSA-N 2 2 361.490 0.965 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370022 1208343628 /nfs/dbraw/zinc/34/36/28/1208343628.db2.gz HBJLBAIFOUGPHR-KBAYOESNSA-N 2 2 361.490 0.965 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764779 1225061145 /nfs/dbraw/zinc/06/11/45/1225061145.db2.gz WJUATVFTILEVIC-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764779 1225061154 /nfs/dbraw/zinc/06/11/54/1225061154.db2.gz WJUATVFTILEVIC-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764779 1225061160 /nfs/dbraw/zinc/06/11/60/1225061160.db2.gz WJUATVFTILEVIC-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764779 1225061167 /nfs/dbraw/zinc/06/11/67/1225061167.db2.gz WJUATVFTILEVIC-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768457 1225062977 /nfs/dbraw/zinc/06/29/77/1225062977.db2.gz MXJISIBJCRAWNA-CABCVRRESA-N 2 2 368.478 0.346 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768457 1225062983 /nfs/dbraw/zinc/06/29/83/1225062983.db2.gz MXJISIBJCRAWNA-CABCVRRESA-N 2 2 368.478 0.346 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001110569348 1208462728 /nfs/dbraw/zinc/46/27/28/1208462728.db2.gz KZNCRPGMEHVSLR-TVFCKZIOSA-N 2 2 360.502 0.576 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001110569348 1208462734 /nfs/dbraw/zinc/46/27/34/1208462734.db2.gz KZNCRPGMEHVSLR-TVFCKZIOSA-N 2 2 360.502 0.576 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001110576325 1208481521 /nfs/dbraw/zinc/48/15/21/1208481521.db2.gz BXTBJHLHHLEZSB-ILOCAZANSA-N 2 2 362.518 0.964 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@H+]1C ZINC001110576325 1208481528 /nfs/dbraw/zinc/48/15/28/1208481528.db2.gz BXTBJHLHHLEZSB-ILOCAZANSA-N 2 2 362.518 0.964 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001110576325 1208481533 /nfs/dbraw/zinc/48/15/33/1208481533.db2.gz BXTBJHLHHLEZSB-ILOCAZANSA-N 2 2 362.518 0.964 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001110576325 1208481538 /nfs/dbraw/zinc/48/15/38/1208481538.db2.gz BXTBJHLHHLEZSB-ILOCAZANSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001220806454 1225082973 /nfs/dbraw/zinc/08/29/73/1225082973.db2.gz CZEWVAGXNCRUDJ-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001220806454 1225082981 /nfs/dbraw/zinc/08/29/81/1225082981.db2.gz CZEWVAGXNCRUDJ-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220809232 1225083918 /nfs/dbraw/zinc/08/39/18/1225083918.db2.gz OUXMFGFFXUZYFN-PMPSAXMXSA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220809232 1225083926 /nfs/dbraw/zinc/08/39/26/1225083926.db2.gz OUXMFGFFXUZYFN-PMPSAXMXSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817603 1225085890 /nfs/dbraw/zinc/08/58/90/1225085890.db2.gz ZHGYHCXIMQMSAD-OAGGEKHMSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817603 1225085896 /nfs/dbraw/zinc/08/58/96/1225085896.db2.gz ZHGYHCXIMQMSAD-OAGGEKHMSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817603 1225085900 /nfs/dbraw/zinc/08/59/00/1225085900.db2.gz ZHGYHCXIMQMSAD-OAGGEKHMSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817603 1225085908 /nfs/dbraw/zinc/08/59/08/1225085908.db2.gz ZHGYHCXIMQMSAD-OAGGEKHMSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220828569 1225092094 /nfs/dbraw/zinc/09/20/94/1225092094.db2.gz ALKCUXCWYLKWSO-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220828569 1225092097 /nfs/dbraw/zinc/09/20/97/1225092097.db2.gz ALKCUXCWYLKWSO-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220828569 1225092107 /nfs/dbraw/zinc/09/21/07/1225092107.db2.gz ALKCUXCWYLKWSO-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1)[NH+](C)C ZINC001489530605 1208885247 /nfs/dbraw/zinc/88/52/47/1208885247.db2.gz ZRXJONSWZXIFMK-OWCLPIDISA-N 2 2 365.478 0.346 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]([NH3+])COC(C)=O)CC2)c1 ZINC001220911438 1225136236 /nfs/dbraw/zinc/13/62/36/1225136236.db2.gz OMQFHAKZPBNVFH-KRWDZBQOSA-N 2 2 367.421 0.805 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001110644608 1209538889 /nfs/dbraw/zinc/53/88/89/1209538889.db2.gz SSNADZYKVCILAS-QXSJWSMHSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001110644608 1209538896 /nfs/dbraw/zinc/53/88/96/1209538896.db2.gz SSNADZYKVCILAS-QXSJWSMHSA-N 2 2 355.446 0.843 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000852759018 1209562253 /nfs/dbraw/zinc/56/22/53/1209562253.db2.gz IYFQTNSHRMUUBC-KGLIPLIRSA-N 2 2 365.478 0.722 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000852759018 1209562257 /nfs/dbraw/zinc/56/22/57/1209562257.db2.gz IYFQTNSHRMUUBC-KGLIPLIRSA-N 2 2 365.478 0.722 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000853077022 1209582270 /nfs/dbraw/zinc/58/22/70/1209582270.db2.gz RXGMCVBXBLBAKX-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP O=C1OCCN1C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000853610031 1209601079 /nfs/dbraw/zinc/60/10/79/1209601079.db2.gz MEJVQIZFVLDUMR-GOSISDBHSA-N 2 2 364.446 0.777 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939587 1225149865 /nfs/dbraw/zinc/14/98/65/1225149865.db2.gz PIZPARNMCUHCEG-NVXWUHKLSA-N 2 2 362.449 0.632 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939587 1225149870 /nfs/dbraw/zinc/14/98/70/1225149870.db2.gz PIZPARNMCUHCEG-NVXWUHKLSA-N 2 2 362.449 0.632 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000794565120 1209952956 /nfs/dbraw/zinc/95/29/56/1209952956.db2.gz JZZNOXGWXAZKJL-DLBZAZTESA-N 2 2 370.538 0.926 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000794565120 1209952960 /nfs/dbraw/zinc/95/29/60/1209952960.db2.gz JZZNOXGWXAZKJL-DLBZAZTESA-N 2 2 370.538 0.926 20 0 FCADLP O=C1COC[C@@]2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)COCCN12 ZINC000866555507 1209999043 /nfs/dbraw/zinc/99/90/43/1209999043.db2.gz MUZANESSYGLQJK-LJQANCHMSA-N 2 2 360.458 0.263 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215004 1210044302 /nfs/dbraw/zinc/04/43/02/1210044302.db2.gz AFENMDJMTUBRTB-QZTJIDSGSA-N 2 2 365.522 0.271 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215004 1210044304 /nfs/dbraw/zinc/04/43/04/1210044304.db2.gz AFENMDJMTUBRTB-QZTJIDSGSA-N 2 2 365.522 0.271 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001221007167 1225183637 /nfs/dbraw/zinc/18/36/37/1225183637.db2.gz YLDYCDZDMZQCNQ-XSLAGTTESA-N 2 2 374.485 0.981 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000872194681 1210178064 /nfs/dbraw/zinc/17/80/64/1210178064.db2.gz JAEAOILWUGWSKX-IRXDYDNUSA-N 2 2 362.449 0.981 20 0 FCADLP C[C@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1CCCCC1 ZINC000875129924 1210340570 /nfs/dbraw/zinc/34/05/70/1210340570.db2.gz BVPVQGBSYZLBPR-APWZRJJASA-N 2 2 368.522 0.776 20 0 FCADLP C[C@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1CCCCC1 ZINC000875129924 1210340572 /nfs/dbraw/zinc/34/05/72/1210340572.db2.gz BVPVQGBSYZLBPR-APWZRJJASA-N 2 2 368.522 0.776 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876722514 1210424856 /nfs/dbraw/zinc/42/48/56/1210424856.db2.gz XAKYSWQBXSBFSI-OAHLLOKOSA-N 2 2 372.391 0.986 20 0 FCADLP Cn1ccn2c(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)nnc2c1=O ZINC000878389891 1210459915 /nfs/dbraw/zinc/45/99/15/1210459915.db2.gz XHIFTEZLEZCDEN-UHFFFAOYSA-N 2 2 374.489 0.752 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095679 1225220656 /nfs/dbraw/zinc/22/06/56/1225220656.db2.gz HMVBXFOUPHFHRU-FGTMMUONSA-N 2 2 365.474 0.114 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095679 1225220663 /nfs/dbraw/zinc/22/06/63/1225220663.db2.gz HMVBXFOUPHFHRU-FGTMMUONSA-N 2 2 365.474 0.114 20 0 FCADLP C[NH+]1CCC(NC(=O)Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CC1 ZINC000881329247 1210583914 /nfs/dbraw/zinc/58/39/14/1210583914.db2.gz CDZBLOQYFDBTOH-UHFFFAOYSA-N 2 2 360.437 0.917 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000881624813 1210594798 /nfs/dbraw/zinc/59/47/98/1210594798.db2.gz DPOBGGLEUMHBEK-HNNXBMFYSA-N 2 2 359.474 0.778 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000882726235 1210634259 /nfs/dbraw/zinc/63/42/59/1210634259.db2.gz NTDISQXYSYSDAV-MRXNPFEDSA-N 2 2 374.489 0.492 20 0 FCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000883106571 1210653306 /nfs/dbraw/zinc/65/33/06/1210653306.db2.gz XNXSNQNPUXPYNG-SFHVURJKSA-N 2 2 373.501 0.968 20 0 FCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000883106571 1210653316 /nfs/dbraw/zinc/65/33/16/1210653316.db2.gz XNXSNQNPUXPYNG-SFHVURJKSA-N 2 2 373.501 0.968 20 0 FCADLP CO[C@H]1COCC[C@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000883249062 1210660559 /nfs/dbraw/zinc/66/05/59/1210660559.db2.gz RMOKHDABWQWZJG-MSOLQXFVSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001006337911 1210693132 /nfs/dbraw/zinc/69/31/32/1210693132.db2.gz FVVWSOSUMYJCSZ-APHBMKBZSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001006337911 1210693141 /nfs/dbraw/zinc/69/31/41/1210693141.db2.gz FVVWSOSUMYJCSZ-APHBMKBZSA-N 2 2 359.474 0.818 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2OCC[NH2+]C)CC1 ZINC000884307475 1210729363 /nfs/dbraw/zinc/72/93/63/1210729363.db2.gz KLSJGIREIRQYQE-UHFFFAOYSA-N 2 2 362.474 0.569 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2OCC[NH2+]C)CC1 ZINC000884307475 1210729366 /nfs/dbraw/zinc/72/93/66/1210729366.db2.gz KLSJGIREIRQYQE-UHFFFAOYSA-N 2 2 362.474 0.569 20 0 FCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884360225 1210731755 /nfs/dbraw/zinc/73/17/55/1210731755.db2.gz XDWBJFPIBSYXHS-HUUCEWRRSA-N 2 2 359.474 0.752 20 0 FCADLP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCCn2cc[nH+]c2C)c1 ZINC000884545633 1210747910 /nfs/dbraw/zinc/74/79/10/1210747910.db2.gz NDAOJPXVERHPOR-KRWDZBQOSA-N 2 2 371.441 0.489 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884627687 1210766719 /nfs/dbraw/zinc/76/67/19/1210766719.db2.gz YSWFSNIASXKFCA-KRWDZBQOSA-N 2 2 367.453 0.831 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884627800 1210766952 /nfs/dbraw/zinc/76/69/52/1210766952.db2.gz BQEDYMVXBSRZIW-FQEVSTJZSA-N 2 2 373.501 0.870 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884675588 1210777126 /nfs/dbraw/zinc/77/71/26/1210777126.db2.gz IHUPMZQVRVBXOA-QGZVFWFLSA-N 2 2 362.474 0.038 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884675588 1210777131 /nfs/dbraw/zinc/77/71/31/1210777131.db2.gz IHUPMZQVRVBXOA-QGZVFWFLSA-N 2 2 362.474 0.038 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884723304 1210789554 /nfs/dbraw/zinc/78/95/54/1210789554.db2.gz GFUGFRCKOGWZSA-DLBZAZTESA-N 2 2 371.441 0.235 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884723306 1210789704 /nfs/dbraw/zinc/78/97/04/1210789704.db2.gz GFUGFRCKOGWZSA-IRXDYDNUSA-N 2 2 371.441 0.235 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878828 1210802464 /nfs/dbraw/zinc/80/24/64/1210802464.db2.gz KXUWROAVNDUTFP-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878828 1210802465 /nfs/dbraw/zinc/80/24/65/1210802465.db2.gz KXUWROAVNDUTFP-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884887611 1210802915 /nfs/dbraw/zinc/80/29/15/1210802915.db2.gz BKCJCNQIZBIVGV-QGZVFWFLSA-N 2 2 357.458 0.808 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)C2)cc1 ZINC000885021326 1210809680 /nfs/dbraw/zinc/80/96/80/1210809680.db2.gz YUUXXASYLPUIIH-BPQIPLTHSA-N 2 2 374.485 0.260 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)C2)cc1 ZINC000885021326 1210809681 /nfs/dbraw/zinc/80/96/81/1210809681.db2.gz YUUXXASYLPUIIH-BPQIPLTHSA-N 2 2 374.485 0.260 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C[C@H]1C[NH3+] ZINC000885022198 1210809857 /nfs/dbraw/zinc/80/98/57/1210809857.db2.gz LYOJCVXVQKMIHX-DJIMGWMZSA-N 2 2 360.458 0.112 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C[C@H]1C[NH3+] ZINC000885022198 1210809859 /nfs/dbraw/zinc/80/98/59/1210809859.db2.gz LYOJCVXVQKMIHX-DJIMGWMZSA-N 2 2 360.458 0.112 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227489 1210816046 /nfs/dbraw/zinc/81/60/46/1210816046.db2.gz IXWVJQHAAQXQGL-QFBILLFUSA-N 2 2 355.442 0.938 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H]1C[NH3+] ZINC000885228409 1210816194 /nfs/dbraw/zinc/81/61/94/1210816194.db2.gz ULBHYDTWDXDEMO-OIISXLGYSA-N 2 2 355.442 0.794 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885227704 1210816513 /nfs/dbraw/zinc/81/65/13/1210816513.db2.gz LLTLPQHGUDLEJW-BBWFWOEESA-N 2 2 353.426 0.703 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000885285071 1210817107 /nfs/dbraw/zinc/81/71/07/1210817107.db2.gz LZHVPITWQMZFOQ-MCIONIFRSA-N 2 2 369.416 0.654 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)CN1CC[NH+]1CCOCC1 ZINC000885993019 1210822528 /nfs/dbraw/zinc/82/25/28/1210822528.db2.gz WMIGQZMBMNAHCJ-IRXDYDNUSA-N 2 2 367.490 0.237 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)cc2)CC1 ZINC000886503940 1210831791 /nfs/dbraw/zinc/83/17/91/1210831791.db2.gz LJXLPHMAJAJOHQ-QZTJIDSGSA-N 2 2 362.474 0.459 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)cc2)CC1 ZINC000886503940 1210831792 /nfs/dbraw/zinc/83/17/92/1210831792.db2.gz LJXLPHMAJAJOHQ-QZTJIDSGSA-N 2 2 362.474 0.459 20 0 FCADLP O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H]1CC[C@H]2C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000886880972 1210838789 /nfs/dbraw/zinc/83/87/89/1210838789.db2.gz KZCRZTLRVUUJIF-XCDZQEORSA-N 2 2 369.465 0.870 20 0 FCADLP O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H]1CC[C@H]2C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000886880972 1210838791 /nfs/dbraw/zinc/83/87/91/1210838791.db2.gz KZCRZTLRVUUJIF-XCDZQEORSA-N 2 2 369.465 0.870 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154709 1225243084 /nfs/dbraw/zinc/24/30/84/1225243084.db2.gz SGFZPYQPXUHYEK-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154709 1225243092 /nfs/dbraw/zinc/24/30/92/1225243092.db2.gz SGFZPYQPXUHYEK-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP O=C(C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000887079456 1210846108 /nfs/dbraw/zinc/84/61/08/1210846108.db2.gz RZRQUEYRSIFEEQ-HXUWFJFHSA-N 2 2 371.485 0.722 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887132687 1210849123 /nfs/dbraw/zinc/84/91/23/1210849123.db2.gz KZCZIYBQVZUHLZ-WBVHZDCISA-N 2 2 359.474 0.719 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887132687 1210849127 /nfs/dbraw/zinc/84/91/27/1210849127.db2.gz KZCZIYBQVZUHLZ-WBVHZDCISA-N 2 2 359.474 0.719 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C23CC[NH+](CC2)CC3)C[C@H]1c1cn(C)c[nH+]1 ZINC001274004521 1210858208 /nfs/dbraw/zinc/85/82/08/1210858208.db2.gz FKCQXAWCFXBELL-HUUCEWRRSA-N 2 2 359.474 0.536 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(=O)N(C)C)[C@H](c3cn(C)c[nH+]3)C2)C1 ZINC001274083474 1210875677 /nfs/dbraw/zinc/87/56/77/1210875677.db2.gz GNMXNKZMNQWIRL-ARFHVFGLSA-N 2 2 361.490 0.781 20 0 FCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(=O)N(C)C)[C@H](c3cn(C)c[nH+]3)C2)C1 ZINC001274083474 1210875679 /nfs/dbraw/zinc/87/56/79/1210875679.db2.gz GNMXNKZMNQWIRL-ARFHVFGLSA-N 2 2 361.490 0.781 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cn(C)c[nH+]1 ZINC001274102858 1210880481 /nfs/dbraw/zinc/88/04/81/1210880481.db2.gz ZTVXWIMHXOSKPI-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001221161244 1225246644 /nfs/dbraw/zinc/24/66/44/1225246644.db2.gz CEFZXCGFNQQLAW-KURKYZTESA-N 2 2 358.442 0.558 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001221161244 1225246648 /nfs/dbraw/zinc/24/66/48/1225246648.db2.gz CEFZXCGFNQQLAW-KURKYZTESA-N 2 2 358.442 0.558 20 0 FCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065133 1210963019 /nfs/dbraw/zinc/96/30/19/1210963019.db2.gz AQJWLPCXZVRUIJ-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065133 1210963021 /nfs/dbraw/zinc/96/30/21/1210963021.db2.gz AQJWLPCXZVRUIJ-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065133 1210963022 /nfs/dbraw/zinc/96/30/22/1210963022.db2.gz AQJWLPCXZVRUIJ-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065133 1210963023 /nfs/dbraw/zinc/96/30/23/1210963023.db2.gz AQJWLPCXZVRUIJ-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP CC1(C)CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000890078610 1210963490 /nfs/dbraw/zinc/96/34/90/1210963490.db2.gz JGUMDXDEAOPCJM-INIZCTEOSA-N 2 2 366.506 0.015 20 0 FCADLP CC1(C)CC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000890078610 1210963498 /nfs/dbraw/zinc/96/34/98/1210963498.db2.gz JGUMDXDEAOPCJM-INIZCTEOSA-N 2 2 366.506 0.015 20 0 FCADLP O=C(N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001274407172 1211045660 /nfs/dbraw/zinc/04/56/60/1211045660.db2.gz BWWMDPZCXNRAJB-IRXDYDNUSA-N 2 2 359.474 0.423 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274418671 1211049480 /nfs/dbraw/zinc/04/94/80/1211049480.db2.gz JADZMVJFPQBKQQ-KSZLIROESA-N 2 2 359.474 0.137 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274466292 1211060494 /nfs/dbraw/zinc/06/04/94/1211060494.db2.gz XKPKJAWDTNCLEN-ZACQAIPSSA-N 2 2 361.490 0.668 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274466292 1211060496 /nfs/dbraw/zinc/06/04/96/1211060496.db2.gz XKPKJAWDTNCLEN-ZACQAIPSSA-N 2 2 361.490 0.668 20 0 FCADLP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)Cc4cc[nH+]c(N)c4)C3)C2)n(C)n1 ZINC001274946197 1211149651 /nfs/dbraw/zinc/14/96/51/1211149651.db2.gz FJUODPFHGZDOCG-UHFFFAOYSA-N 2 2 354.458 0.983 20 0 FCADLP Cc1cc(C[N@H+]2CCC3(CN(C(=O)Cc4cc[nH+]c(N)c4)C3)C2)n(C)n1 ZINC001274946197 1211149655 /nfs/dbraw/zinc/14/96/55/1211149655.db2.gz FJUODPFHGZDOCG-UHFFFAOYSA-N 2 2 354.458 0.983 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](CC1CCOCC1)C2 ZINC001275144143 1211179537 /nfs/dbraw/zinc/17/95/37/1211179537.db2.gz ZKGQKTVDZCIATE-LJQANCHMSA-N 2 2 362.474 0.861 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](CC1CCOCC1)C2 ZINC001275144143 1211179540 /nfs/dbraw/zinc/17/95/40/1211179540.db2.gz ZKGQKTVDZCIATE-LJQANCHMSA-N 2 2 362.474 0.861 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH+](C)CCN2C)n(C)n1 ZINC001275177274 1211189511 /nfs/dbraw/zinc/18/95/11/1211189511.db2.gz OVJDNNMPAGOKJR-BZSNNMDCSA-N 2 2 360.506 0.150 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[NH+](C)CCN2C)n(C)n1 ZINC001275177274 1211189514 /nfs/dbraw/zinc/18/95/14/1211189514.db2.gz OVJDNNMPAGOKJR-BZSNNMDCSA-N 2 2 360.506 0.150 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[N@H+](C)CCN2C)n(C)n1 ZINC001275177274 1211189517 /nfs/dbraw/zinc/18/95/17/1211189517.db2.gz OVJDNNMPAGOKJR-BZSNNMDCSA-N 2 2 360.506 0.150 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[N@@H+](C)CCN2C)n(C)n1 ZINC001275177274 1211189520 /nfs/dbraw/zinc/18/95/20/1211189520.db2.gz OVJDNNMPAGOKJR-BZSNNMDCSA-N 2 2 360.506 0.150 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001275260591 1211205859 /nfs/dbraw/zinc/20/58/59/1211205859.db2.gz BGOUMZIZLLDMHW-SFHVURJKSA-N 2 2 356.430 0.806 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001275260591 1211205863 /nfs/dbraw/zinc/20/58/63/1211205863.db2.gz BGOUMZIZLLDMHW-SFHVURJKSA-N 2 2 356.430 0.806 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)n1 ZINC001275260554 1211205900 /nfs/dbraw/zinc/20/59/00/1211205900.db2.gz AUQQKUGKYKOOTG-HZPDHXFCSA-N 2 2 356.430 0.947 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)n1 ZINC001275260554 1211205903 /nfs/dbraw/zinc/20/59/03/1211205903.db2.gz AUQQKUGKYKOOTG-HZPDHXFCSA-N 2 2 356.430 0.947 20 0 FCADLP Cn1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275364505 1211221538 /nfs/dbraw/zinc/22/15/38/1211221538.db2.gz ZQAVNARWGBPWQE-GOSISDBHSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275364505 1211221539 /nfs/dbraw/zinc/22/15/39/1211221539.db2.gz ZQAVNARWGBPWQE-GOSISDBHSA-N 2 2 356.430 0.695 20 0 FCADLP COC(CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2)OC ZINC001275443632 1211238293 /nfs/dbraw/zinc/23/82/93/1211238293.db2.gz SBLDCGDNUDKUCZ-SFHVURJKSA-N 2 2 364.446 0.164 20 0 FCADLP COC(CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2)OC ZINC001275443632 1211238297 /nfs/dbraw/zinc/23/82/97/1211238297.db2.gz SBLDCGDNUDKUCZ-SFHVURJKSA-N 2 2 364.446 0.164 20 0 FCADLP O=c1cccc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)[nH]1 ZINC001275448205 1211239731 /nfs/dbraw/zinc/23/97/31/1211239731.db2.gz GFRACDXBYWSWBP-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP O=c1cccc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)[nH]1 ZINC001275448205 1211239733 /nfs/dbraw/zinc/23/97/33/1211239733.db2.gz GFRACDXBYWSWBP-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3cnoc3)C2)C1 ZINC001275455815 1211241535 /nfs/dbraw/zinc/24/15/35/1211241535.db2.gz QDHWVHVLMXVERF-GOSISDBHSA-N 2 2 357.414 0.733 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3cnoc3)C2)C1 ZINC001275455815 1211241538 /nfs/dbraw/zinc/24/15/38/1211241538.db2.gz QDHWVHVLMXVERF-GOSISDBHSA-N 2 2 357.414 0.733 20 0 FCADLP Cn1cnnc1CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH+]ccc1N ZINC001275456051 1211242698 /nfs/dbraw/zinc/24/26/98/1211242698.db2.gz TZSGSQOBIIUPKK-SFHVURJKSA-N 2 2 355.446 0.780 20 0 FCADLP Cn1cnnc1CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH+]ccc1N ZINC001275456051 1211242701 /nfs/dbraw/zinc/24/27/01/1211242701.db2.gz TZSGSQOBIIUPKK-SFHVURJKSA-N 2 2 355.446 0.780 20 0 FCADLP COC(C[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O)OC ZINC001275493952 1211250782 /nfs/dbraw/zinc/25/07/82/1211250782.db2.gz QTXRLWUZLUPESZ-IBGZPJMESA-N 2 2 368.522 0.310 20 0 FCADLP COC(C[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O)OC ZINC001275493952 1211250785 /nfs/dbraw/zinc/25/07/85/1211250785.db2.gz QTXRLWUZLUPESZ-IBGZPJMESA-N 2 2 368.522 0.310 20 0 FCADLP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275670424 1211271013 /nfs/dbraw/zinc/27/10/13/1211271013.db2.gz SAOVAUWOJKTSAE-GOSISDBHSA-N 2 2 358.446 0.764 20 0 FCADLP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275670424 1211271016 /nfs/dbraw/zinc/27/10/16/1211271016.db2.gz SAOVAUWOJKTSAE-GOSISDBHSA-N 2 2 358.446 0.764 20 0 FCADLP Cn1cncc1C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275683841 1211272887 /nfs/dbraw/zinc/27/28/87/1211272887.db2.gz SSQCPXGMALMLBQ-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cncc1C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275683841 1211272889 /nfs/dbraw/zinc/27/28/89/1211272889.db2.gz SSQCPXGMALMLBQ-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275799838 1211285800 /nfs/dbraw/zinc/28/58/00/1211285800.db2.gz OCYPHMBWGIXEKP-MRXNPFEDSA-N 2 2 360.458 0.278 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275799838 1211285803 /nfs/dbraw/zinc/28/58/03/1211285803.db2.gz OCYPHMBWGIXEKP-MRXNPFEDSA-N 2 2 360.458 0.278 20 0 FCADLP CC1(C)OC[C@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001275812589 1211289309 /nfs/dbraw/zinc/28/93/09/1211289309.db2.gz AQAHPFKHLNGZBB-YJBOKZPZSA-N 2 2 364.446 0.338 20 0 FCADLP CC1(C)OC[C@H](C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001275812589 1211289311 /nfs/dbraw/zinc/28/93/11/1211289311.db2.gz AQAHPFKHLNGZBB-YJBOKZPZSA-N 2 2 364.446 0.338 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@@H]2CC[NH+]3Cc2cn[nH]c2)C1 ZINC001275817625 1211290298 /nfs/dbraw/zinc/29/02/98/1211290298.db2.gz PRRUPSTUUBJKAX-JYJNAYRXSA-N 2 2 361.446 0.080 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3[C@@H]2CC[NH+]3Cc2cn[nH]c2)C1 ZINC001275817625 1211290303 /nfs/dbraw/zinc/29/03/03/1211290303.db2.gz PRRUPSTUUBJKAX-JYJNAYRXSA-N 2 2 361.446 0.080 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)C1 ZINC001275817625 1211290306 /nfs/dbraw/zinc/29/03/06/1211290306.db2.gz PRRUPSTUUBJKAX-JYJNAYRXSA-N 2 2 361.446 0.080 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)C1 ZINC001275817625 1211290311 /nfs/dbraw/zinc/29/03/11/1211290311.db2.gz PRRUPSTUUBJKAX-JYJNAYRXSA-N 2 2 361.446 0.080 20 0 FCADLP O=C1CO[C@]2(CC[N@H+](CCCn3cccn3)C2)CN1CCn1cc[nH+]c1 ZINC001275831093 1211293361 /nfs/dbraw/zinc/29/33/61/1211293361.db2.gz URJLNFGWPDVNMO-SFHVURJKSA-N 2 2 358.446 0.473 20 0 FCADLP O=C1CO[C@]2(CC[N@@H+](CCCn3cccn3)C2)CN1CCn1cc[nH+]c1 ZINC001275831093 1211293364 /nfs/dbraw/zinc/29/33/64/1211293364.db2.gz URJLNFGWPDVNMO-SFHVURJKSA-N 2 2 358.446 0.473 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@H+](CC3CC[NH+](CC)CC3)C[C@@]2(F)C1=O ZINC001275877453 1211302807 /nfs/dbraw/zinc/30/28/07/1211302807.db2.gz BUHYNIXMZOFPPE-ZWKOTPCHSA-N 2 2 372.460 0.429 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](CC)CC3)C[C@@]2(F)C1=O ZINC001275877453 1211302810 /nfs/dbraw/zinc/30/28/10/1211302810.db2.gz BUHYNIXMZOFPPE-ZWKOTPCHSA-N 2 2 372.460 0.429 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](Cc3cncnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275996116 1211321830 /nfs/dbraw/zinc/32/18/30/1211321830.db2.gz IPGGBXHYCKUUGA-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](Cc3cncnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275996116 1211321833 /nfs/dbraw/zinc/32/18/33/1211321833.db2.gz IPGGBXHYCKUUGA-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cncnc3)C2)C1=O ZINC001275999044 1211322754 /nfs/dbraw/zinc/32/27/54/1211322754.db2.gz CENAIKBLICUCLR-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cncnc3)C2)C1=O ZINC001275999044 1211322759 /nfs/dbraw/zinc/32/27/59/1211322759.db2.gz CENAIKBLICUCLR-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606252 1211423894 /nfs/dbraw/zinc/42/38/94/1211423894.db2.gz YKBUEVFCYCPTRG-PVAVHDDUSA-N 2 2 358.490 0.913 20 0 FCADLP Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606252 1211423897 /nfs/dbraw/zinc/42/38/97/1211423897.db2.gz YKBUEVFCYCPTRG-PVAVHDDUSA-N 2 2 358.490 0.913 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C2CC2)O1 ZINC001095610159 1211424182 /nfs/dbraw/zinc/42/41/82/1211424182.db2.gz GHOYDVMAAQMXFK-FMPTWSOUSA-N 2 2 364.490 0.048 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C2CC2)O1 ZINC001095610159 1211424185 /nfs/dbraw/zinc/42/41/85/1211424185.db2.gz GHOYDVMAAQMXFK-FMPTWSOUSA-N 2 2 364.490 0.048 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C2CC2)O1 ZINC001095610159 1211424187 /nfs/dbraw/zinc/42/41/87/1211424187.db2.gz GHOYDVMAAQMXFK-FMPTWSOUSA-N 2 2 364.490 0.048 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C2CC2)O1 ZINC001095610159 1211424190 /nfs/dbraw/zinc/42/41/90/1211424190.db2.gz GHOYDVMAAQMXFK-FMPTWSOUSA-N 2 2 364.490 0.048 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946979194 1211465219 /nfs/dbraw/zinc/46/52/19/1211465219.db2.gz OZLLPMLIRNNLJZ-OWCLPIDISA-N 2 2 363.462 0.169 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946979194 1211465220 /nfs/dbraw/zinc/46/52/20/1211465220.db2.gz OZLLPMLIRNNLJZ-OWCLPIDISA-N 2 2 363.462 0.169 20 0 FCADLP C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693636 1211477542 /nfs/dbraw/zinc/47/75/42/1211477542.db2.gz FHTNUEGRLYZOJH-DJIMGWMZSA-N 2 2 360.458 0.758 20 0 FCADLP C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693636 1211477544 /nfs/dbraw/zinc/47/75/44/1211477544.db2.gz FHTNUEGRLYZOJH-DJIMGWMZSA-N 2 2 360.458 0.758 20 0 FCADLP CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000925395840 1211498188 /nfs/dbraw/zinc/49/81/88/1211498188.db2.gz IEPKGOLPDXZFJT-RHSMWYFYSA-N 2 2 374.489 0.396 20 0 FCADLP CC(C)[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000925662978 1211506170 /nfs/dbraw/zinc/50/61/70/1211506170.db2.gz MTSPKBGVTRVNIP-LZALDCCUSA-N 2 2 372.517 0.793 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000926378227 1211542639 /nfs/dbraw/zinc/54/26/39/1211542639.db2.gz NPBFWVOYPXUQCZ-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000926378227 1211542649 /nfs/dbraw/zinc/54/26/49/1211542649.db2.gz NPBFWVOYPXUQCZ-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1nnc(C)o1 ZINC001221337837 1225300388 /nfs/dbraw/zinc/30/03/88/1225300388.db2.gz RLIABRCZURVOBL-XLWVJDPXSA-N 2 2 357.414 0.544 20 0 FCADLP COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C)c(C(=O)NC[C@H]2CC[NH+]2C)c1 ZINC000928570581 1211605455 /nfs/dbraw/zinc/60/54/55/1211605455.db2.gz FKVIAWYBPGAWQK-JKSUJKDBSA-N 2 2 374.485 0.492 20 0 FCADLP COc1ccc(CC(=O)NC[C@@H]2CC[N@H+]2C)c(C(=O)NC[C@H]2CC[NH+]2C)c1 ZINC000928570581 1211605458 /nfs/dbraw/zinc/60/54/58/1211605458.db2.gz FKVIAWYBPGAWQK-JKSUJKDBSA-N 2 2 374.485 0.492 20 0 FCADLP COc1ccc(CC(=O)NC[C@@H]2CC[NH+]2C)c(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000928570581 1211605461 /nfs/dbraw/zinc/60/54/61/1211605461.db2.gz FKVIAWYBPGAWQK-JKSUJKDBSA-N 2 2 374.485 0.492 20 0 FCADLP COc1ccc(CC(=O)NC[C@@H]2CC[NH+]2C)c(C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928570581 1211605465 /nfs/dbraw/zinc/60/54/65/1211605465.db2.gz FKVIAWYBPGAWQK-JKSUJKDBSA-N 2 2 374.485 0.492 20 0 FCADLP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000929157484 1211619811 /nfs/dbraw/zinc/61/98/11/1211619811.db2.gz VYVUYKTXMCHNNJ-SJLPKXTDSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000929157484 1211619812 /nfs/dbraw/zinc/61/98/12/1211619812.db2.gz VYVUYKTXMCHNNJ-SJLPKXTDSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCCC1 ZINC000929178929 1211621341 /nfs/dbraw/zinc/62/13/41/1211621341.db2.gz BNYMWBNMIQITSJ-RDJZCZTQSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCCC1 ZINC000929178929 1211621343 /nfs/dbraw/zinc/62/13/43/1211621343.db2.gz BNYMWBNMIQITSJ-RDJZCZTQSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000929199643 1211622698 /nfs/dbraw/zinc/62/26/98/1211622698.db2.gz BTQOWACCGYUEFN-SJLPKXTDSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000929199643 1211622702 /nfs/dbraw/zinc/62/27/02/1211622702.db2.gz BTQOWACCGYUEFN-SJLPKXTDSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431778 1211755219 /nfs/dbraw/zinc/75/52/19/1211755219.db2.gz OBAJOAFTKDFGNH-JKSUJKDBSA-N 2 2 374.485 0.787 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431778 1211755226 /nfs/dbraw/zinc/75/52/26/1211755226.db2.gz OBAJOAFTKDFGNH-JKSUJKDBSA-N 2 2 374.485 0.787 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431778 1211755231 /nfs/dbraw/zinc/75/52/31/1211755231.db2.gz OBAJOAFTKDFGNH-JKSUJKDBSA-N 2 2 374.485 0.787 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431778 1211755236 /nfs/dbraw/zinc/75/52/36/1211755236.db2.gz OBAJOAFTKDFGNH-JKSUJKDBSA-N 2 2 374.485 0.787 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000931607094 1211762823 /nfs/dbraw/zinc/76/28/23/1211762823.db2.gz CWUYELHJLJFJLD-ZDUSSCGKSA-N 2 2 356.430 0.893 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111027966 1211802029 /nfs/dbraw/zinc/80/20/29/1211802029.db2.gz AQSSGDQULYIFAG-SYQHCUMBSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111027966 1211802030 /nfs/dbraw/zinc/80/20/30/1211802030.db2.gz AQSSGDQULYIFAG-SYQHCUMBSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111027966 1211802033 /nfs/dbraw/zinc/80/20/33/1211802033.db2.gz AQSSGDQULYIFAG-SYQHCUMBSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111027966 1211802035 /nfs/dbraw/zinc/80/20/35/1211802035.db2.gz AQSSGDQULYIFAG-SYQHCUMBSA-N 2 2 365.478 0.023 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111035530 1211813370 /nfs/dbraw/zinc/81/33/70/1211813370.db2.gz FOCBYPRMFFSFAE-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111035530 1211813372 /nfs/dbraw/zinc/81/33/72/1211813372.db2.gz FOCBYPRMFFSFAE-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CC[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000933220302 1211838025 /nfs/dbraw/zinc/83/80/25/1211838025.db2.gz AAOJUBWGTQNYHJ-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1=O ZINC000936010859 1211889675 /nfs/dbraw/zinc/88/96/75/1211889675.db2.gz NTYHSSUPQLJTEP-AWEZNQCLSA-N 2 2 359.430 0.472 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1=O ZINC000936010859 1211889677 /nfs/dbraw/zinc/88/96/77/1211889677.db2.gz NTYHSSUPQLJTEP-AWEZNQCLSA-N 2 2 359.430 0.472 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169443 1211910421 /nfs/dbraw/zinc/91/04/21/1211910421.db2.gz UJMRKLUZPHKGOP-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CC1)OCCO2 ZINC000045750487 1211928903 /nfs/dbraw/zinc/92/89/03/1211928903.db2.gz XTCCXYXZAIWNJU-MRXNPFEDSA-N 2 2 360.458 0.958 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001111235019 1211937342 /nfs/dbraw/zinc/93/73/42/1211937342.db2.gz VQFGVZZSGVDZSF-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001111235019 1211937344 /nfs/dbraw/zinc/93/73/44/1211937344.db2.gz VQFGVZZSGVDZSF-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111235019 1211937348 /nfs/dbraw/zinc/93/73/48/1211937348.db2.gz VQFGVZZSGVDZSF-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111235019 1211937352 /nfs/dbraw/zinc/93/73/52/1211937352.db2.gz VQFGVZZSGVDZSF-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)n1 ZINC001095769115 1211979403 /nfs/dbraw/zinc/97/94/03/1211979403.db2.gz WVFWWOJTQMQTIE-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)n1 ZINC001095769115 1211979411 /nfs/dbraw/zinc/97/94/11/1211979411.db2.gz WVFWWOJTQMQTIE-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767632 1211980118 /nfs/dbraw/zinc/98/01/18/1211980118.db2.gz PPWASYYVLKOVKL-OEAJRASXSA-N 2 2 367.409 0.475 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767632 1211980123 /nfs/dbraw/zinc/98/01/23/1211980123.db2.gz PPWASYYVLKOVKL-OEAJRASXSA-N 2 2 367.409 0.475 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001095769317 1211984072 /nfs/dbraw/zinc/98/40/72/1211984072.db2.gz HFYRIFDFFFDSOL-QZWWFDLISA-N 2 2 359.474 0.922 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001095769317 1211984081 /nfs/dbraw/zinc/98/40/81/1211984081.db2.gz HFYRIFDFFFDSOL-QZWWFDLISA-N 2 2 359.474 0.922 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771929 1211985341 /nfs/dbraw/zinc/98/53/41/1211985341.db2.gz FRNFTSLWEJDMIV-DEICHXMPSA-N 2 2 373.501 0.960 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771929 1211985345 /nfs/dbraw/zinc/98/53/45/1211985345.db2.gz FRNFTSLWEJDMIV-DEICHXMPSA-N 2 2 373.501 0.960 20 0 FCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]c4c2CCCC4)C3)C1=O ZINC001095772600 1211986990 /nfs/dbraw/zinc/98/69/90/1211986990.db2.gz XCLOJNPOKYBJGE-HUHSQHJXSA-N 2 2 371.485 0.714 20 0 FCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]c4c2CCCC4)C3)C1=O ZINC001095772600 1211987004 /nfs/dbraw/zinc/98/70/04/1211987004.db2.gz XCLOJNPOKYBJGE-HUHSQHJXSA-N 2 2 371.485 0.714 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)[C@@H](O)C2)CCC1 ZINC000968834572 1212144680 /nfs/dbraw/zinc/14/46/80/1212144680.db2.gz TYMSTSQSABXKIZ-HIFRSBDPSA-N 2 2 371.441 0.120 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC000968836387 1212145808 /nfs/dbraw/zinc/14/58/08/1212145808.db2.gz RVIPAJDHSKUXTK-LZWOXQAQSA-N 2 2 371.441 0.120 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC000968836387 1212145811 /nfs/dbraw/zinc/14/58/11/1212145811.db2.gz RVIPAJDHSKUXTK-LZWOXQAQSA-N 2 2 371.441 0.120 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001111276212 1212191368 /nfs/dbraw/zinc/19/13/68/1212191368.db2.gz JJDOEIIOCNAHQI-DDBAPUKQSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1 ZINC001111276212 1212191370 /nfs/dbraw/zinc/19/13/70/1212191370.db2.gz JJDOEIIOCNAHQI-DDBAPUKQSA-N 2 2 362.474 0.880 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nncn3C)CC2)O1 ZINC000948541001 1212197398 /nfs/dbraw/zinc/19/73/98/1212197398.db2.gz BPIZDROOZAQUHG-OWCLPIDISA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nncn3C)CC2)O1 ZINC000948541001 1212197404 /nfs/dbraw/zinc/19/74/04/1212197404.db2.gz BPIZDROOZAQUHG-OWCLPIDISA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3nncn3C)CC2)O1 ZINC000948541001 1212197406 /nfs/dbraw/zinc/19/74/06/1212197406.db2.gz BPIZDROOZAQUHG-OWCLPIDISA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nncn3C)CC2)O1 ZINC000948541001 1212197410 /nfs/dbraw/zinc/19/74/10/1212197410.db2.gz BPIZDROOZAQUHG-OWCLPIDISA-N 2 2 364.494 0.347 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277102 1212203429 /nfs/dbraw/zinc/20/34/29/1212203429.db2.gz AJPAGZNGYBMIHX-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277102 1212203433 /nfs/dbraw/zinc/20/34/33/1212203433.db2.gz AJPAGZNGYBMIHX-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001111281557 1212233362 /nfs/dbraw/zinc/23/33/62/1212233362.db2.gz XSZAHNICHHRBSS-MLHJIOFPSA-N 2 2 362.518 0.966 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001111281557 1212233364 /nfs/dbraw/zinc/23/33/64/1212233364.db2.gz XSZAHNICHHRBSS-MLHJIOFPSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)C1 ZINC001111281557 1212233365 /nfs/dbraw/zinc/23/33/65/1212233365.db2.gz XSZAHNICHHRBSS-MLHJIOFPSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)C1 ZINC001111281557 1212233367 /nfs/dbraw/zinc/23/33/67/1212233367.db2.gz XSZAHNICHHRBSS-MLHJIOFPSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000948995191 1212272887 /nfs/dbraw/zinc/27/28/87/1212272887.db2.gz RWHWDUJGXYLRCM-RHSMWYFYSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221538264 1225356561 /nfs/dbraw/zinc/35/65/61/1225356561.db2.gz VJRYMYISKZBJIC-KZNAEPCWSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221538264 1225356567 /nfs/dbraw/zinc/35/65/67/1225356567.db2.gz VJRYMYISKZBJIC-KZNAEPCWSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221538264 1225356571 /nfs/dbraw/zinc/35/65/71/1225356571.db2.gz VJRYMYISKZBJIC-KZNAEPCWSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221538264 1225356573 /nfs/dbraw/zinc/35/65/73/1225356573.db2.gz VJRYMYISKZBJIC-KZNAEPCWSA-N 2 2 362.518 0.918 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001007189007 1212421132 /nfs/dbraw/zinc/42/11/32/1212421132.db2.gz KGDPDBIUMLKNQM-FCEWJHQRSA-N 2 2 359.474 0.865 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001007189007 1212421140 /nfs/dbraw/zinc/42/11/40/1212421140.db2.gz KGDPDBIUMLKNQM-FCEWJHQRSA-N 2 2 359.474 0.865 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001221560898 1225368519 /nfs/dbraw/zinc/36/85/19/1225368519.db2.gz NXZPBVDNVAMGBV-XMTFNYHQSA-N 2 2 362.518 0.776 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC4CC4)C[C@H]32)CC[N@H+]1C ZINC001221560898 1225368524 /nfs/dbraw/zinc/36/85/24/1225368524.db2.gz NXZPBVDNVAMGBV-XMTFNYHQSA-N 2 2 362.518 0.776 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC[NH+]1C ZINC001221560898 1225368528 /nfs/dbraw/zinc/36/85/28/1225368528.db2.gz NXZPBVDNVAMGBV-XMTFNYHQSA-N 2 2 362.518 0.776 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC[NH+]1C ZINC001221560898 1225368533 /nfs/dbraw/zinc/36/85/33/1225368533.db2.gz NXZPBVDNVAMGBV-XMTFNYHQSA-N 2 2 362.518 0.776 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298743 1212494209 /nfs/dbraw/zinc/49/42/09/1212494209.db2.gz OQHREYPJALYDLJ-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298743 1212494212 /nfs/dbraw/zinc/49/42/12/1212494212.db2.gz OQHREYPJALYDLJ-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001007617470 1212538693 /nfs/dbraw/zinc/53/86/93/1212538693.db2.gz JHTLMYJXBQJXOE-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001001417415 1216190996 /nfs/dbraw/zinc/19/09/96/1216190996.db2.gz CBSAJJQMBPGSFR-UKRRQHHQSA-N 2 2 363.462 0.782 20 0 FCADLP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001001532102 1216237990 /nfs/dbraw/zinc/23/79/90/1216237990.db2.gz KNZKOUFOISGYRU-RDTXWAMCSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001001532102 1216237998 /nfs/dbraw/zinc/23/79/98/1216237998.db2.gz KNZKOUFOISGYRU-RDTXWAMCSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001050316076 1216306209 /nfs/dbraw/zinc/30/62/09/1216306209.db2.gz WJAKVAUIIFLORF-ZBFHGGJFSA-N 2 2 358.490 0.644 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001050316076 1216306215 /nfs/dbraw/zinc/30/62/15/1216306215.db2.gz WJAKVAUIIFLORF-ZBFHGGJFSA-N 2 2 358.490 0.644 20 0 FCADLP Cc1noc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)CC2)n1 ZINC001050564012 1216336185 /nfs/dbraw/zinc/33/61/85/1216336185.db2.gz OKQSHMFMQWZCJH-UKRRQHHQSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1noc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)CC2)n1 ZINC001050564012 1216336189 /nfs/dbraw/zinc/33/61/89/1216336189.db2.gz OKQSHMFMQWZCJH-UKRRQHHQSA-N 2 2 363.462 0.522 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1c1[nH+]cnc2c1cnn2C ZINC001051026944 1216389446 /nfs/dbraw/zinc/38/94/46/1216389446.db2.gz JNVVXVQSQLCGRT-GUTXKFCHSA-N 2 2 357.462 0.931 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1[nH+]cnc2c1cnn2C ZINC001051026944 1216389453 /nfs/dbraw/zinc/38/94/53/1216389453.db2.gz JNVVXVQSQLCGRT-GUTXKFCHSA-N 2 2 357.462 0.931 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCO2)o1 ZINC001051624262 1216467875 /nfs/dbraw/zinc/46/78/75/1216467875.db2.gz ONQUJUHSVANAAQ-SOUVJXGZSA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCO2)o1 ZINC001051624262 1216467882 /nfs/dbraw/zinc/46/78/82/1216467882.db2.gz ONQUJUHSVANAAQ-SOUVJXGZSA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C4CC4)no3)C2)CC[N@@H+]1C ZINC001051624573 1216470356 /nfs/dbraw/zinc/47/03/56/1216470356.db2.gz RRNNNMBOEPQIFG-BPLDGKMQSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C4CC4)no3)C2)CC[N@H+]1C ZINC001051624573 1216470361 /nfs/dbraw/zinc/47/03/61/1216470361.db2.gz RRNNNMBOEPQIFG-BPLDGKMQSA-N 2 2 363.462 0.604 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223023805 1225673433 /nfs/dbraw/zinc/67/34/33/1225673433.db2.gz PIDINXJBGFTJIP-KGLIPLIRSA-N 2 2 364.494 0.262 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223023805 1225673437 /nfs/dbraw/zinc/67/34/37/1225673437.db2.gz PIDINXJBGFTJIP-KGLIPLIRSA-N 2 2 364.494 0.262 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223023805 1225673440 /nfs/dbraw/zinc/67/34/40/1225673440.db2.gz PIDINXJBGFTJIP-KGLIPLIRSA-N 2 2 364.494 0.262 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223023805 1225673445 /nfs/dbraw/zinc/67/34/45/1225673445.db2.gz PIDINXJBGFTJIP-KGLIPLIRSA-N 2 2 364.494 0.262 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051729090 1216478213 /nfs/dbraw/zinc/47/82/13/1216478213.db2.gz GLWQKTUGDSAMGV-KURKYZTESA-N 2 2 367.490 0.093 20 0 FCADLP Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834420 1216484833 /nfs/dbraw/zinc/48/48/33/1216484833.db2.gz MZKJWDXPKJYADL-BZUAXINKSA-N 2 2 358.446 0.274 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(Cc4cnon4)CC3)C2)CC[N@@H+]1C ZINC001052031210 1216490994 /nfs/dbraw/zinc/49/09/94/1216490994.db2.gz HIWQVBTXBGYDDI-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(Cc4cnon4)CC3)C2)CC[N@H+]1C ZINC001052031210 1216490999 /nfs/dbraw/zinc/49/09/99/1216490999.db2.gz HIWQVBTXBGYDDI-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052387907 1216545697 /nfs/dbraw/zinc/54/56/97/1216545697.db2.gz WLPFGJHDBPEUKD-OWCLPIDISA-N 2 2 359.474 0.610 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052387907 1216545705 /nfs/dbraw/zinc/54/57/05/1216545705.db2.gz WLPFGJHDBPEUKD-OWCLPIDISA-N 2 2 359.474 0.610 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394401 1216547747 /nfs/dbraw/zinc/54/77/47/1216547747.db2.gz XGUONRRFWBVSKU-OWCLPIDISA-N 2 2 363.510 0.894 20 0 FCADLP CCCn1nnnc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394401 1216547754 /nfs/dbraw/zinc/54/77/54/1216547754.db2.gz XGUONRRFWBVSKU-OWCLPIDISA-N 2 2 363.510 0.894 20 0 FCADLP CCCn1nnnc1C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394401 1216547761 /nfs/dbraw/zinc/54/77/61/1216547761.db2.gz XGUONRRFWBVSKU-OWCLPIDISA-N 2 2 363.510 0.894 20 0 FCADLP CCCn1nnnc1C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394401 1216547769 /nfs/dbraw/zinc/54/77/69/1216547769.db2.gz XGUONRRFWBVSKU-OWCLPIDISA-N 2 2 363.510 0.894 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)Nc3ccon3)CC2)CC[N@@H+]1C ZINC001052394557 1216547864 /nfs/dbraw/zinc/54/78/64/1216547864.db2.gz YQADAMBFOYFMSC-RBSFLKMASA-N 2 2 363.462 0.924 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)Nc3ccon3)CC2)CC[N@H+]1C ZINC001052394557 1216547877 /nfs/dbraw/zinc/54/78/77/1216547877.db2.gz YQADAMBFOYFMSC-RBSFLKMASA-N 2 2 363.462 0.924 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)Nc3ccon3)CC2)CC[NH+]1C ZINC001052394557 1216547881 /nfs/dbraw/zinc/54/78/81/1216547881.db2.gz YQADAMBFOYFMSC-RBSFLKMASA-N 2 2 363.462 0.924 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)Nc3ccon3)CC2)CC[NH+]1C ZINC001052394557 1216547886 /nfs/dbraw/zinc/54/78/86/1216547886.db2.gz YQADAMBFOYFMSC-RBSFLKMASA-N 2 2 363.462 0.924 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413276 1216597016 /nfs/dbraw/zinc/59/70/16/1216597016.db2.gz BSVRJLLHWWEENL-QWHCGFSZSA-N 2 2 372.477 0.254 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413276 1216597018 /nfs/dbraw/zinc/59/70/18/1216597018.db2.gz BSVRJLLHWWEENL-QWHCGFSZSA-N 2 2 372.477 0.254 20 0 FCADLP O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001069838813 1216805096 /nfs/dbraw/zinc/80/50/96/1216805096.db2.gz IWLAWRBROPKMCU-ARFHVFGLSA-N 2 2 370.457 0.385 20 0 FCADLP O=C(NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001069838813 1216805097 /nfs/dbraw/zinc/80/50/97/1216805097.db2.gz IWLAWRBROPKMCU-ARFHVFGLSA-N 2 2 370.457 0.385 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](n3ccnn3)C2)c1 ZINC001069902390 1216827486 /nfs/dbraw/zinc/82/74/86/1216827486.db2.gz UZCMVNZOMDFABF-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](n3ccnn3)C2)c1 ZINC001069902390 1216827488 /nfs/dbraw/zinc/82/74/88/1216827488.db2.gz UZCMVNZOMDFABF-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](n3ccnn3)C2)c1 ZINC001069902390 1216827489 /nfs/dbraw/zinc/82/74/89/1216827489.db2.gz UZCMVNZOMDFABF-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](n3ccnn3)C2)c1 ZINC001069902390 1216827490 /nfs/dbraw/zinc/82/74/90/1216827490.db2.gz UZCMVNZOMDFABF-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930377 1216849437 /nfs/dbraw/zinc/84/94/37/1216849437.db2.gz GEFSHWWHTVHKLO-CVEARBPZSA-N 2 2 357.462 0.804 20 0 FCADLP CC(C)[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930377 1216849440 /nfs/dbraw/zinc/84/94/40/1216849440.db2.gz GEFSHWWHTVHKLO-CVEARBPZSA-N 2 2 357.462 0.804 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001069962368 1216869333 /nfs/dbraw/zinc/86/93/33/1216869333.db2.gz RUOAUGYWRGYPNU-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001069962368 1216869336 /nfs/dbraw/zinc/86/93/36/1216869336.db2.gz RUOAUGYWRGYPNU-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001069963493 1216870376 /nfs/dbraw/zinc/87/03/76/1216870376.db2.gz JOMKNFZUHWPURP-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001069963493 1216870377 /nfs/dbraw/zinc/87/03/77/1216870377.db2.gz JOMKNFZUHWPURP-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001069963855 1216870610 /nfs/dbraw/zinc/87/06/10/1216870610.db2.gz RKMBAAUMWMQHHQ-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001069963855 1216870611 /nfs/dbraw/zinc/87/06/11/1216870611.db2.gz RKMBAAUMWMQHHQ-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)c(C)c(C)[nH+]1 ZINC001041326188 1217281647 /nfs/dbraw/zinc/28/16/47/1217281647.db2.gz UTRBBEZDDPJZSO-HZPDHXFCSA-N 2 2 361.490 0.799 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)c(C)c(C)[nH+]1 ZINC001041326188 1217281652 /nfs/dbraw/zinc/28/16/52/1217281652.db2.gz UTRBBEZDDPJZSO-HZPDHXFCSA-N 2 2 361.490 0.799 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@H]1O ZINC001041403460 1217314125 /nfs/dbraw/zinc/31/41/25/1217314125.db2.gz MAZYFBCJZIJJBV-OWCLPIDISA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@H]1O ZINC001041403460 1217314133 /nfs/dbraw/zinc/31/41/33/1217314133.db2.gz MAZYFBCJZIJJBV-OWCLPIDISA-N 2 2 361.490 0.888 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001041428211 1217327610 /nfs/dbraw/zinc/32/76/10/1217327610.db2.gz MCAZSEHCBNIXGB-BZUAXINKSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001041428211 1217327619 /nfs/dbraw/zinc/32/76/19/1217327619.db2.gz MCAZSEHCBNIXGB-BZUAXINKSA-N 2 2 359.474 0.812 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc(C)[nH+]1 ZINC001041444009 1217336704 /nfs/dbraw/zinc/33/67/04/1217336704.db2.gz VMDFPYOBVGBTGP-HZPDHXFCSA-N 2 2 366.425 0.975 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001041496939 1217343892 /nfs/dbraw/zinc/34/38/92/1217343892.db2.gz DUFFSDQTPASHIU-AOIWGVFYSA-N 2 2 369.481 0.760 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001041496939 1217343906 /nfs/dbraw/zinc/34/39/06/1217343906.db2.gz DUFFSDQTPASHIU-AOIWGVFYSA-N 2 2 369.481 0.760 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001041496940 1217344429 /nfs/dbraw/zinc/34/44/29/1217344429.db2.gz DUFFSDQTPASHIU-ZIFCJYIRSA-N 2 2 369.481 0.760 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001041496940 1217344434 /nfs/dbraw/zinc/34/44/34/1217344434.db2.gz DUFFSDQTPASHIU-ZIFCJYIRSA-N 2 2 369.481 0.760 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001042079881 1217383827 /nfs/dbraw/zinc/38/38/27/1217383827.db2.gz DYONIRZEQYYFSW-UMVBOHGHSA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001042079881 1217383835 /nfs/dbraw/zinc/38/38/35/1217383835.db2.gz DYONIRZEQYYFSW-UMVBOHGHSA-N 2 2 357.462 0.646 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916929 1225746659 /nfs/dbraw/zinc/74/66/59/1225746659.db2.gz UQBXOZPKNZDHGP-PBHICJAKSA-N 2 2 359.474 0.820 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001223916929 1225746660 /nfs/dbraw/zinc/74/66/60/1225746660.db2.gz UQBXOZPKNZDHGP-PBHICJAKSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@@H](O)Cc3ccccc3)C2)O1 ZINC001043067311 1217569821 /nfs/dbraw/zinc/56/98/21/1217569821.db2.gz MADUGSOAAQTARH-AYOQOUSVSA-N 2 2 361.486 0.452 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@@H](O)Cc3ccccc3)C2)O1 ZINC001043067311 1217569827 /nfs/dbraw/zinc/56/98/27/1217569827.db2.gz MADUGSOAAQTARH-AYOQOUSVSA-N 2 2 361.486 0.452 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3[nH+]cnc4c3cnn4C)C2)C1 ZINC001043516968 1217668156 /nfs/dbraw/zinc/66/81/56/1217668156.db2.gz IMSIBOXISMJFPL-UMVBOHGHSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3[nH+]cnc4c3cnn4C)C2)C1 ZINC001043516968 1217668157 /nfs/dbraw/zinc/66/81/57/1217668157.db2.gz IMSIBOXISMJFPL-UMVBOHGHSA-N 2 2 357.462 0.964 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043729753 1217721982 /nfs/dbraw/zinc/72/19/82/1217721982.db2.gz VHOWDVXGSMFMNL-DLBZAZTESA-N 2 2 370.457 0.969 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)Cn4c[nH+]cc4C)[C@H]3C2)cc(C)[nH+]1 ZINC001043770301 1217738397 /nfs/dbraw/zinc/73/83/97/1217738397.db2.gz OKBLOKQITZLIAO-JKSUJKDBSA-N 2 2 370.457 0.969 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044063100 1217800334 /nfs/dbraw/zinc/80/03/34/1217800334.db2.gz WCHAUFYFYSABPE-BMFZPTHFSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044063100 1217800338 /nfs/dbraw/zinc/80/03/38/1217800338.db2.gz WCHAUFYFYSABPE-BMFZPTHFSA-N 2 2 359.474 0.670 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044192469 1217815701 /nfs/dbraw/zinc/81/57/01/1217815701.db2.gz YBDBOIUBDFASEC-ZACQAIPSSA-N 2 2 361.490 0.886 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044192469 1217815703 /nfs/dbraw/zinc/81/57/03/1217815703.db2.gz YBDBOIUBDFASEC-ZACQAIPSSA-N 2 2 361.490 0.886 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224297999 1225771160 /nfs/dbraw/zinc/77/11/60/1225771160.db2.gz KIPJTKVSFRNKOS-BBWFWOEESA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224297999 1225771165 /nfs/dbraw/zinc/77/11/65/1225771165.db2.gz KIPJTKVSFRNKOS-BBWFWOEESA-N 2 2 361.490 0.967 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044466560 1217848429 /nfs/dbraw/zinc/84/84/29/1217848429.db2.gz DEVGOOGXVDWABD-CABCVRRESA-N 2 2 359.430 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cc3n(n2)CCC3)O1 ZINC001045091092 1217899425 /nfs/dbraw/zinc/89/94/25/1217899425.db2.gz QALGMSJXBHBQAL-FHLIZLRMSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cc3n(n2)CCC3)O1 ZINC001045091092 1217899427 /nfs/dbraw/zinc/89/94/27/1217899427.db2.gz QALGMSJXBHBQAL-FHLIZLRMSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC2CC2)O1 ZINC001045802706 1217961798 /nfs/dbraw/zinc/96/17/98/1217961798.db2.gz NOISRVDOHCXPGB-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC2CC2)O1 ZINC001045802706 1217961802 /nfs/dbraw/zinc/96/18/02/1217961802.db2.gz NOISRVDOHCXPGB-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)O1 ZINC001045802706 1217961806 /nfs/dbraw/zinc/96/18/06/1217961806.db2.gz NOISRVDOHCXPGB-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)O1 ZINC001045802706 1217961808 /nfs/dbraw/zinc/96/18/08/1217961808.db2.gz NOISRVDOHCXPGB-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900192323 1217969377 /nfs/dbraw/zinc/96/93/77/1217969377.db2.gz LKIWKTXFJNSGLQ-PZJWPPBQSA-N 2 2 374.529 0.895 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900192323 1217969381 /nfs/dbraw/zinc/96/93/81/1217969381.db2.gz LKIWKTXFJNSGLQ-PZJWPPBQSA-N 2 2 374.529 0.895 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693585 1218025957 /nfs/dbraw/zinc/02/59/57/1218025957.db2.gz XIQLAXQDFBUAPM-SJORKVTESA-N 2 2 368.522 0.261 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693585 1218025961 /nfs/dbraw/zinc/02/59/61/1218025961.db2.gz XIQLAXQDFBUAPM-SJORKVTESA-N 2 2 368.522 0.261 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900804845 1218039775 /nfs/dbraw/zinc/03/97/75/1218039775.db2.gz NRFRMPXJXLYPJJ-AZUAARDMSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000900804845 1218039779 /nfs/dbraw/zinc/03/97/79/1218039779.db2.gz NRFRMPXJXLYPJJ-AZUAARDMSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900808766 1218040903 /nfs/dbraw/zinc/04/09/03/1218040903.db2.gz WUZKFIJANJWLGX-MSOLQXFVSA-N 2 2 374.533 0.344 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900808766 1218040908 /nfs/dbraw/zinc/04/09/08/1218040908.db2.gz WUZKFIJANJWLGX-MSOLQXFVSA-N 2 2 374.533 0.344 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096248974 1218184734 /nfs/dbraw/zinc/18/47/34/1218184734.db2.gz DWXBJFARMNYCQU-IKGGRYGDSA-N 2 2 368.441 0.691 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096248974 1218184739 /nfs/dbraw/zinc/18/47/39/1218184739.db2.gz DWXBJFARMNYCQU-IKGGRYGDSA-N 2 2 368.441 0.691 20 0 FCADLP Cc1cc(N2CC[NH+](CCCNC(=O)[C@]34C[C@H]3COC4)CC2)nc(C)[nH+]1 ZINC001096260690 1218200018 /nfs/dbraw/zinc/20/00/18/1218200018.db2.gz JTXJPNFXBZBDQV-LPHOPBHVSA-N 2 2 359.474 0.758 20 0 FCADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1=O ZINC000902205415 1218224754 /nfs/dbraw/zinc/22/47/54/1218224754.db2.gz YZPJEULGJJOKDZ-PBHICJAKSA-N 2 2 364.490 0.334 20 0 FCADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1=O ZINC000902205415 1218224755 /nfs/dbraw/zinc/22/47/55/1218224755.db2.gz YZPJEULGJJOKDZ-PBHICJAKSA-N 2 2 364.490 0.334 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001096354523 1218262069 /nfs/dbraw/zinc/26/20/69/1218262069.db2.gz KBHVASZXVZTYSD-PMPSAXMXSA-N 2 2 357.458 0.803 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001096354523 1218262077 /nfs/dbraw/zinc/26/20/77/1218262077.db2.gz KBHVASZXVZTYSD-PMPSAXMXSA-N 2 2 357.458 0.803 20 0 FCADLP CCc1cnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891651 1218335360 /nfs/dbraw/zinc/33/53/60/1218335360.db2.gz TULBRHSTVZZAQK-PNBKFKSVSA-N 2 2 362.474 0.846 20 0 FCADLP CCc1cnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891651 1218335368 /nfs/dbraw/zinc/33/53/68/1218335368.db2.gz TULBRHSTVZZAQK-PNBKFKSVSA-N 2 2 362.474 0.846 20 0 FCADLP CCc1cnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891651 1218335374 /nfs/dbraw/zinc/33/53/74/1218335374.db2.gz TULBRHSTVZZAQK-PNBKFKSVSA-N 2 2 362.474 0.846 20 0 FCADLP CCc1cnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048891651 1218335379 /nfs/dbraw/zinc/33/53/79/1218335379.db2.gz TULBRHSTVZZAQK-PNBKFKSVSA-N 2 2 362.474 0.846 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048952905 1218352790 /nfs/dbraw/zinc/35/27/90/1218352790.db2.gz RPNHCRSRRAFNNR-HCXYKTFWSA-N 2 2 363.502 0.666 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048952905 1218352795 /nfs/dbraw/zinc/35/27/95/1218352795.db2.gz RPNHCRSRRAFNNR-HCXYKTFWSA-N 2 2 363.502 0.666 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049067846 1218374318 /nfs/dbraw/zinc/37/43/18/1218374318.db2.gz AATBJVRQURJYMW-JKJDWNRSSA-N 2 2 357.458 0.145 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049067846 1218374324 /nfs/dbraw/zinc/37/43/24/1218374324.db2.gz AATBJVRQURJYMW-JKJDWNRSSA-N 2 2 357.458 0.145 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001049244449 1218404522 /nfs/dbraw/zinc/40/45/22/1218404522.db2.gz HVHKCNGNHKVGFH-IJEWVQPXSA-N 2 2 369.473 0.742 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001049244449 1218404528 /nfs/dbraw/zinc/40/45/28/1218404528.db2.gz HVHKCNGNHKVGFH-IJEWVQPXSA-N 2 2 369.473 0.742 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001225947278 1225829482 /nfs/dbraw/zinc/82/94/82/1225829482.db2.gz SKBPRLNYLLOUHX-ZIAGYGMSSA-N 2 2 358.450 0.881 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225968866 1225829550 /nfs/dbraw/zinc/82/95/50/1225829550.db2.gz AOUAYECLVYTQSO-YNEHKIRRSA-N 2 2 364.450 0.203 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001096582957 1218564474 /nfs/dbraw/zinc/56/44/74/1218564474.db2.gz IKEXHPLYPHTGRE-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001096582957 1218564481 /nfs/dbraw/zinc/56/44/81/1218564481.db2.gz IKEXHPLYPHTGRE-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)C1 ZINC001096582957 1218564494 /nfs/dbraw/zinc/56/44/94/1218564494.db2.gz IKEXHPLYPHTGRE-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)C1 ZINC001096582957 1218564499 /nfs/dbraw/zinc/56/44/99/1218564499.db2.gz IKEXHPLYPHTGRE-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097086000 1218685476 /nfs/dbraw/zinc/68/54/76/1218685476.db2.gz SRGHLHLVHPSHSJ-SPUZQDLCSA-N 2 2 358.490 0.861 20 0 FCADLP CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097086000 1218685478 /nfs/dbraw/zinc/68/54/78/1218685478.db2.gz SRGHLHLVHPSHSJ-SPUZQDLCSA-N 2 2 358.490 0.861 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095535 1218687862 /nfs/dbraw/zinc/68/78/62/1218687862.db2.gz RVHQTLABYKRHCS-OLMNPRSZSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095535 1218687864 /nfs/dbraw/zinc/68/78/64/1218687864.db2.gz RVHQTLABYKRHCS-OLMNPRSZSA-N 2 2 371.489 0.714 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097342863 1218781753 /nfs/dbraw/zinc/78/17/53/1218781753.db2.gz BLHBDSGSPVKBMP-WCVJEAGWSA-N 2 2 362.474 0.341 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001097342863 1218781759 /nfs/dbraw/zinc/78/17/59/1218781759.db2.gz BLHBDSGSPVKBMP-WCVJEAGWSA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001097342863 1218781766 /nfs/dbraw/zinc/78/17/66/1218781766.db2.gz BLHBDSGSPVKBMP-WCVJEAGWSA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001097342863 1218781771 /nfs/dbraw/zinc/78/17/71/1218781771.db2.gz BLHBDSGSPVKBMP-WCVJEAGWSA-N 2 2 362.474 0.341 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001097712194 1218840195 /nfs/dbraw/zinc/84/01/95/1218840195.db2.gz GQGDNCUCPBELBF-ZJPYXAASSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001097712194 1218840196 /nfs/dbraw/zinc/84/01/96/1218840196.db2.gz GQGDNCUCPBELBF-ZJPYXAASSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnn(C)c2)C1 ZINC001097712194 1218840199 /nfs/dbraw/zinc/84/01/99/1218840199.db2.gz GQGDNCUCPBELBF-ZJPYXAASSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnn(C)c2)C1 ZINC001097712194 1218840201 /nfs/dbraw/zinc/84/02/01/1218840201.db2.gz GQGDNCUCPBELBF-ZJPYXAASSA-N 2 2 361.490 0.751 20 0 FCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C[NH+](C)C)C3)C1=O ZINC001097734737 1218842130 /nfs/dbraw/zinc/84/21/30/1218842130.db2.gz TVCWFYMHRWHZKZ-LVQVYYBASA-N 2 2 360.458 0.907 20 0 FCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C[NH+](C)C)C3)C1=O ZINC001097734737 1218842131 /nfs/dbraw/zinc/84/21/31/1218842131.db2.gz TVCWFYMHRWHZKZ-LVQVYYBASA-N 2 2 360.458 0.907 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001052725518 1218860811 /nfs/dbraw/zinc/86/08/11/1218860811.db2.gz RELGFYXAASJSHR-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052725518 1218860812 /nfs/dbraw/zinc/86/08/12/1218860812.db2.gz RELGFYXAASJSHR-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226678991 1225851408 /nfs/dbraw/zinc/85/14/08/1225851408.db2.gz CSSNDBOJAWBULY-ZIAGYGMSSA-N 2 2 364.450 0.205 20 0 FCADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226678991 1225851409 /nfs/dbraw/zinc/85/14/09/1225851409.db2.gz CSSNDBOJAWBULY-ZIAGYGMSSA-N 2 2 364.450 0.205 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4nnnn4C)C3)C2)CC[N@@H+]1C ZINC001054134929 1218898917 /nfs/dbraw/zinc/89/89/17/1218898917.db2.gz PXGMEXGJTRCFIT-IIDMSEBBSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4nnnn4C)C3)C2)CC[N@H+]1C ZINC001054134929 1218898918 /nfs/dbraw/zinc/89/89/18/1218898918.db2.gz PXGMEXGJTRCFIT-IIDMSEBBSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](Cc4nnnn4C)C3)C2)CC[NH+]1C ZINC001054134929 1218898919 /nfs/dbraw/zinc/89/89/19/1218898919.db2.gz PXGMEXGJTRCFIT-IIDMSEBBSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](Cc4nnnn4C)C3)C2)CC[NH+]1C ZINC001054134929 1218898920 /nfs/dbraw/zinc/89/89/20/1218898920.db2.gz PXGMEXGJTRCFIT-IIDMSEBBSA-N 2 2 361.494 0.365 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200106 1218899816 /nfs/dbraw/zinc/89/98/16/1218899816.db2.gz QLJAQICOPWJZAG-CLCXKQKWSA-N 2 2 359.474 0.584 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200106 1218899819 /nfs/dbraw/zinc/89/98/19/1218899819.db2.gz QLJAQICOPWJZAG-CLCXKQKWSA-N 2 2 359.474 0.584 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC3CC3)CC2)O1 ZINC001055594912 1219094068 /nfs/dbraw/zinc/09/40/68/1219094068.db2.gz NZKKDCFAEAGCTD-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC3CC3)CC2)O1 ZINC001055594912 1219094069 /nfs/dbraw/zinc/09/40/69/1219094069.db2.gz NZKKDCFAEAGCTD-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128745 1225864430 /nfs/dbraw/zinc/86/44/30/1225864430.db2.gz XVMZHPOANDDJGM-DJIMGWMZSA-N 2 2 361.490 0.989 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001098113392 1219118881 /nfs/dbraw/zinc/11/88/81/1219118881.db2.gz VESJHTDWOFGSKN-NCOADZHNSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001098113392 1219118887 /nfs/dbraw/zinc/11/88/87/1219118887.db2.gz VESJHTDWOFGSKN-NCOADZHNSA-N 2 2 366.425 0.491 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060478 1219121309 /nfs/dbraw/zinc/12/13/09/1219121309.db2.gz YTQUGBNDKRLQSN-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060478 1219121311 /nfs/dbraw/zinc/12/13/11/1219121311.db2.gz YTQUGBNDKRLQSN-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](n2ccnn2)C1 ZINC001070069221 1219134269 /nfs/dbraw/zinc/13/42/69/1219134269.db2.gz QUHMKSJRUKXFHO-SJORKVTESA-N 2 2 366.429 0.923 20 0 FCADLP CC(C)[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](n2ccnn2)C1 ZINC001070069221 1219134271 /nfs/dbraw/zinc/13/42/71/1219134271.db2.gz QUHMKSJRUKXFHO-SJORKVTESA-N 2 2 366.429 0.923 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1n1ccnn1 ZINC001070109308 1219184410 /nfs/dbraw/zinc/18/44/10/1219184410.db2.gz QKYIWKINYPNBBJ-CVEARBPZSA-N 2 2 371.470 0.821 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1n1ccnn1 ZINC001070109308 1219184414 /nfs/dbraw/zinc/18/44/14/1219184414.db2.gz QKYIWKINYPNBBJ-CVEARBPZSA-N 2 2 371.470 0.821 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC001227681062 1225881579 /nfs/dbraw/zinc/88/15/79/1225881579.db2.gz PTUBQXCMJUEXED-HZPDHXFCSA-N 2 2 361.490 0.992 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nocc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217918 1219300155 /nfs/dbraw/zinc/30/01/55/1219300155.db2.gz YVJYQTLXLBUXJH-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220920 1219303538 /nfs/dbraw/zinc/30/35/38/1219303538.db2.gz SWFUGMJFTZEZNY-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220940 1219303638 /nfs/dbraw/zinc/30/36/38/1219303638.db2.gz UMUPWKYBZIHGAX-UAGQMJEPSA-N 2 2 355.446 0.489 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001070222043 1219303736 /nfs/dbraw/zinc/30/37/36/1219303736.db2.gz DSGQBCBVYHCLHZ-XZJROXQQSA-N 2 2 355.402 0.191 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277152 1219343827 /nfs/dbraw/zinc/34/38/27/1219343827.db2.gz HHOZBLMVCHNMQV-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277303 1219343972 /nfs/dbraw/zinc/34/39/72/1219343972.db2.gz LZZVQTAMGDMZMN-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070305090 1219363490 /nfs/dbraw/zinc/36/34/90/1219363490.db2.gz DJNFLBZKDMYRMJ-SJORKVTESA-N 2 2 367.413 0.111 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)C1 ZINC001070310922 1219368175 /nfs/dbraw/zinc/36/81/75/1219368175.db2.gz CNYRVHBVAIXDFE-IMJJTQAJSA-N 2 2 359.434 0.150 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)C1 ZINC001070310922 1219368180 /nfs/dbraw/zinc/36/81/80/1219368180.db2.gz CNYRVHBVAIXDFE-IMJJTQAJSA-N 2 2 359.434 0.150 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2n2ccnn2)on1 ZINC001070328385 1219379071 /nfs/dbraw/zinc/37/90/71/1219379071.db2.gz ZVZIVAUXTGHBRG-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001070354330 1219391659 /nfs/dbraw/zinc/39/16/59/1219391659.db2.gz CSZSJFLBMOSLJG-KKUMJFAQSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001070354330 1219391664 /nfs/dbraw/zinc/39/16/64/1219391664.db2.gz CSZSJFLBMOSLJG-KKUMJFAQSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001070354330 1219391666 /nfs/dbraw/zinc/39/16/66/1219391666.db2.gz CSZSJFLBMOSLJG-KKUMJFAQSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001070354330 1219391670 /nfs/dbraw/zinc/39/16/70/1219391670.db2.gz CSZSJFLBMOSLJG-KKUMJFAQSA-N 2 2 364.494 0.776 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn3c[nH+]cc3c2)n1 ZINC001070354838 1219392499 /nfs/dbraw/zinc/39/24/99/1219392499.db2.gz XGZGWHQQTLJEDO-GJZGRUSLSA-N 2 2 369.429 0.864 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn3c[nH+]cc3c2)[nH]1 ZINC001070354838 1219392505 /nfs/dbraw/zinc/39/25/05/1219392505.db2.gz XGZGWHQQTLJEDO-GJZGRUSLSA-N 2 2 369.429 0.864 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn3c[nH+]cc3c2)n[nH]1 ZINC001070354838 1219392509 /nfs/dbraw/zinc/39/25/09/1219392509.db2.gz XGZGWHQQTLJEDO-GJZGRUSLSA-N 2 2 369.429 0.864 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070381715 1219407004 /nfs/dbraw/zinc/40/70/04/1219407004.db2.gz RDJABYAYUNLKQV-QAPCUYQASA-N 2 2 365.453 0.408 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001227954343 1225891551 /nfs/dbraw/zinc/89/15/51/1225891551.db2.gz TXXCDXUUPCNZMW-JKIFEVAISA-N 2 2 366.506 0.201 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001227954343 1225891552 /nfs/dbraw/zinc/89/15/52/1225891552.db2.gz TXXCDXUUPCNZMW-JKIFEVAISA-N 2 2 366.506 0.201 20 0 FCADLP CCN(C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001227954303 1225891902 /nfs/dbraw/zinc/89/19/02/1225891902.db2.gz RZJAIYRAYVXWKR-RHSMWYFYSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001227954303 1225891903 /nfs/dbraw/zinc/89/19/03/1225891903.db2.gz RZJAIYRAYVXWKR-RHSMWYFYSA-N 2 2 366.506 0.297 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2[NH2+]CCO)c1 ZINC001070533682 1219457399 /nfs/dbraw/zinc/45/73/99/1219457399.db2.gz KZFNGEMEQBHSTI-HEHGZKQESA-N 2 2 358.446 0.140 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2cncs2)c1 ZINC001070541485 1219460609 /nfs/dbraw/zinc/46/06/09/1219460609.db2.gz YPGVXFLLJONSKF-GOEBONIOSA-N 2 2 371.470 0.927 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]C[C@H]2CCOC2)c1 ZINC001070570531 1219474872 /nfs/dbraw/zinc/47/48/72/1219474872.db2.gz UXFSSCZWQXEVBC-HLLBOEOZSA-N 2 2 358.446 0.237 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1)[NH+](C)C ZINC001070659484 1219512357 /nfs/dbraw/zinc/51/23/57/1219512357.db2.gz OIAIRMDHQRYANA-BZUAXINKSA-N 2 2 360.462 0.833 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001070691650 1219527885 /nfs/dbraw/zinc/52/78/85/1219527885.db2.gz AMABYSXVLPUQEH-OAGGEKHMSA-N 2 2 371.489 0.635 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001070710593 1219537445 /nfs/dbraw/zinc/53/74/45/1219537445.db2.gz ISMIFBZNVYZWDW-MGPQQGTHSA-N 2 2 360.462 0.386 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915290 1219569675 /nfs/dbraw/zinc/56/96/75/1219569675.db2.gz USNWEWGLTGEXSL-OAGGEKHMSA-N 2 2 361.446 0.707 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915290 1219569677 /nfs/dbraw/zinc/56/96/77/1219569677.db2.gz USNWEWGLTGEXSL-OAGGEKHMSA-N 2 2 361.446 0.707 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916583 1219571171 /nfs/dbraw/zinc/57/11/71/1219571171.db2.gz QMVWBTPUFPYSMI-OAGGEKHMSA-N 2 2 361.446 0.789 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916583 1219571174 /nfs/dbraw/zinc/57/11/74/1219571174.db2.gz QMVWBTPUFPYSMI-OAGGEKHMSA-N 2 2 361.446 0.789 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071053892 1219595558 /nfs/dbraw/zinc/59/55/58/1219595558.db2.gz PFMHZGIGIOMVAW-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071053892 1219595560 /nfs/dbraw/zinc/59/55/60/1219595560.db2.gz PFMHZGIGIOMVAW-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071065939 1219598412 /nfs/dbraw/zinc/59/84/12/1219598412.db2.gz AUTITPBDCKLOME-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@@H](C)C(N)=O)CC1 ZINC001071101159 1219607145 /nfs/dbraw/zinc/60/71/45/1219607145.db2.gz LEUDCNMCSQWCDA-QEORTHHSSA-N 2 2 363.462 0.120 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)c2nnnn2C)C3)CC[N@@H+]1C ZINC001072754926 1219621850 /nfs/dbraw/zinc/62/18/50/1219621850.db2.gz KUDHJWIGNNYRDM-QLFBSQMISA-N 2 2 361.494 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H](C)c2nnnn2C)C3)CC[N@H+]1C ZINC001072754926 1219621852 /nfs/dbraw/zinc/62/18/52/1219621852.db2.gz KUDHJWIGNNYRDM-QLFBSQMISA-N 2 2 361.494 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)c2nnnn2C)C3)CC[NH+]1C ZINC001072754926 1219621857 /nfs/dbraw/zinc/62/18/57/1219621857.db2.gz KUDHJWIGNNYRDM-QLFBSQMISA-N 2 2 361.494 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@H](C)c2nnnn2C)C3)CC[NH+]1C ZINC001072754926 1219621860 /nfs/dbraw/zinc/62/18/60/1219621860.db2.gz KUDHJWIGNNYRDM-QLFBSQMISA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849745 1219624778 /nfs/dbraw/zinc/62/47/78/1219624778.db2.gz KJYFNNMRVZNKAS-BFYDXBDKSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849745 1219624782 /nfs/dbraw/zinc/62/47/82/1219624782.db2.gz KJYFNNMRVZNKAS-BFYDXBDKSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1cnccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849745 1219624783 /nfs/dbraw/zinc/62/47/83/1219624783.db2.gz KJYFNNMRVZNKAS-BFYDXBDKSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1cnccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849745 1219624786 /nfs/dbraw/zinc/62/47/86/1219624786.db2.gz KJYFNNMRVZNKAS-BFYDXBDKSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1oncc1C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073661216 1219676473 /nfs/dbraw/zinc/67/64/73/1219676473.db2.gz ZBQKUICAHPNCDG-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1oncc1C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073661216 1219676476 /nfs/dbraw/zinc/67/64/76/1219676476.db2.gz ZBQKUICAHPNCDG-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1oncc1C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661216 1219676482 /nfs/dbraw/zinc/67/64/82/1219676482.db2.gz ZBQKUICAHPNCDG-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1oncc1C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073661216 1219676489 /nfs/dbraw/zinc/67/64/89/1219676489.db2.gz ZBQKUICAHPNCDG-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074695173 1219716444 /nfs/dbraw/zinc/71/64/44/1219716444.db2.gz JPJZSOOLAJOAEO-DGAVXFQQSA-N 2 2 359.430 0.241 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074695173 1219716449 /nfs/dbraw/zinc/71/64/49/1219716449.db2.gz JPJZSOOLAJOAEO-DGAVXFQQSA-N 2 2 359.430 0.241 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074710881 1219717364 /nfs/dbraw/zinc/71/73/64/1219717364.db2.gz JIFXIAUHNYVEER-VWNJHIHFSA-N 2 2 364.494 0.405 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074710881 1219717367 /nfs/dbraw/zinc/71/73/67/1219717367.db2.gz JIFXIAUHNYVEER-VWNJHIHFSA-N 2 2 364.494 0.405 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001098230943 1219744967 /nfs/dbraw/zinc/74/49/67/1219744967.db2.gz UPXQQDGFTGVHPJ-XABYNWHXSA-N 2 2 371.441 0.288 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001098230943 1219744970 /nfs/dbraw/zinc/74/49/70/1219744970.db2.gz UPXQQDGFTGVHPJ-XABYNWHXSA-N 2 2 371.441 0.288 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC2(CC[NH+](CCCO)CC2)O1 ZINC001098609394 1219805488 /nfs/dbraw/zinc/80/54/88/1219805488.db2.gz BCTRHOXINFBQAB-ARFHVFGLSA-N 2 2 362.474 0.978 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC2(CC[NH+](CCCO)CC2)O1 ZINC001098609394 1219805490 /nfs/dbraw/zinc/80/54/90/1219805490.db2.gz BCTRHOXINFBQAB-ARFHVFGLSA-N 2 2 362.474 0.978 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001098841748 1219838990 /nfs/dbraw/zinc/83/89/90/1219838990.db2.gz PUAAUHXYMWOAFS-WDYCEAGBSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001098841748 1219838991 /nfs/dbraw/zinc/83/89/91/1219838991.db2.gz PUAAUHXYMWOAFS-WDYCEAGBSA-N 2 2 358.490 0.628 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1)N1CCC1 ZINC001098875684 1219847854 /nfs/dbraw/zinc/84/78/54/1219847854.db2.gz TZBBXOAWLVPUBA-FTRWYGJKSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1)N1CCC1 ZINC001098875684 1219847855 /nfs/dbraw/zinc/84/78/55/1219847855.db2.gz TZBBXOAWLVPUBA-FTRWYGJKSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001098910184 1219859622 /nfs/dbraw/zinc/85/96/22/1219859622.db2.gz GZTBLGLHVQTLSX-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001098910184 1219859625 /nfs/dbraw/zinc/85/96/25/1219859625.db2.gz GZTBLGLHVQTLSX-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)NC1CC1 ZINC001098910178 1219859952 /nfs/dbraw/zinc/85/99/52/1219859952.db2.gz GUTDMOQZNIKKHX-SIFCLUCFSA-N 2 2 371.485 0.695 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)NC1CC1 ZINC001098910178 1219859954 /nfs/dbraw/zinc/85/99/54/1219859954.db2.gz GUTDMOQZNIKKHX-SIFCLUCFSA-N 2 2 371.485 0.695 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111463948 1219885019 /nfs/dbraw/zinc/88/50/19/1219885019.db2.gz AVCBMYUZYPUSLM-HZMVEIRTSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111463948 1219885021 /nfs/dbraw/zinc/88/50/21/1219885021.db2.gz AVCBMYUZYPUSLM-HZMVEIRTSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111463948 1219885023 /nfs/dbraw/zinc/88/50/23/1219885023.db2.gz AVCBMYUZYPUSLM-HZMVEIRTSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111463948 1219885026 /nfs/dbraw/zinc/88/50/26/1219885026.db2.gz AVCBMYUZYPUSLM-HZMVEIRTSA-N 2 2 366.506 0.201 20 0 FCADLP NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098330 1219911909 /nfs/dbraw/zinc/91/19/09/1219911909.db2.gz YUINSEMNWIUZHR-KSSFIOAISA-N 2 2 354.414 0.337 20 0 FCADLP NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098330 1219911910 /nfs/dbraw/zinc/91/19/10/1219911910.db2.gz YUINSEMNWIUZHR-KSSFIOAISA-N 2 2 354.414 0.337 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099120510 1219920423 /nfs/dbraw/zinc/92/04/23/1219920423.db2.gz CFJUWAQONKANEB-NJSLBKSFSA-N 2 2 359.474 0.600 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099120510 1219920425 /nfs/dbraw/zinc/92/04/25/1219920425.db2.gz CFJUWAQONKANEB-NJSLBKSFSA-N 2 2 359.474 0.600 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001099123240 1219921833 /nfs/dbraw/zinc/92/18/33/1219921833.db2.gz ZPIJMAQWRMDZCI-KXBFYZLASA-N 2 2 358.490 0.865 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001099123240 1219921835 /nfs/dbraw/zinc/92/18/35/1219921835.db2.gz ZPIJMAQWRMDZCI-KXBFYZLASA-N 2 2 358.490 0.865 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)o1 ZINC001099404140 1219984277 /nfs/dbraw/zinc/98/42/77/1219984277.db2.gz XRCUKZIEUKDWBI-DAYGRLMNSA-N 2 2 363.462 0.427 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)o1 ZINC001099404140 1219984280 /nfs/dbraw/zinc/98/42/80/1219984280.db2.gz XRCUKZIEUKDWBI-DAYGRLMNSA-N 2 2 363.462 0.427 20 0 FCADLP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001099473111 1220007776 /nfs/dbraw/zinc/00/77/76/1220007776.db2.gz WTQBSUNXXMVJPX-YJBOKZPZSA-N 2 2 357.462 0.820 20 0 FCADLP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCn2cc[nH+]c2)C3)C1=O ZINC001099472929 1220008092 /nfs/dbraw/zinc/00/80/92/1220008092.db2.gz NZEQWHKQXAXGRM-FCEWJHQRSA-N 2 2 359.474 0.722 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2)c1nnnn1C ZINC001099506822 1220017346 /nfs/dbraw/zinc/01/73/46/1220017346.db2.gz VMLFUBQSYIDWHR-IGCXYCKISA-N 2 2 358.450 0.455 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277517 1220263528 /nfs/dbraw/zinc/26/35/28/1220263528.db2.gz LIFATYXWBCELRD-MDZRGWNJSA-N 2 2 363.458 0.420 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277517 1220263533 /nfs/dbraw/zinc/26/35/33/1220263533.db2.gz LIFATYXWBCELRD-MDZRGWNJSA-N 2 2 363.458 0.420 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)n1cc[nH+]c1 ZINC001228851746 1225958329 /nfs/dbraw/zinc/95/83/29/1225958329.db2.gz BZCQAWXNUBPFAD-MGPQQGTHSA-N 2 2 361.450 0.473 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345015 1220296784 /nfs/dbraw/zinc/29/67/84/1220296784.db2.gz PGQFYIXGGHREIS-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345015 1220296788 /nfs/dbraw/zinc/29/67/88/1220296788.db2.gz PGQFYIXGGHREIS-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP Cn1nc(C2CC2)nc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351900 1220298272 /nfs/dbraw/zinc/29/82/72/1220298272.db2.gz OZBPOLKALXOSDX-BEFAXECRSA-N 2 2 360.506 0.925 20 0 FCADLP Cn1nc(C2CC2)nc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351900 1220298274 /nfs/dbraw/zinc/29/82/74/1220298274.db2.gz OZBPOLKALXOSDX-BEFAXECRSA-N 2 2 360.506 0.925 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473204 1220365692 /nfs/dbraw/zinc/36/56/92/1220365692.db2.gz KOTASFSKFJOQCZ-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473204 1220365697 /nfs/dbraw/zinc/36/56/97/1220365697.db2.gz KOTASFSKFJOQCZ-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)n1C ZINC001101477112 1220368186 /nfs/dbraw/zinc/36/81/86/1220368186.db2.gz DDWCRTWQZQHSDE-BEFAXECRSA-N 2 2 362.522 0.998 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)n1C ZINC001101477112 1220368189 /nfs/dbraw/zinc/36/81/89/1220368189.db2.gz DDWCRTWQZQHSDE-BEFAXECRSA-N 2 2 362.522 0.998 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@]3(C)C2)n1C ZINC001101477112 1220368194 /nfs/dbraw/zinc/36/81/94/1220368194.db2.gz DDWCRTWQZQHSDE-BEFAXECRSA-N 2 2 362.522 0.998 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)n1C ZINC001101477112 1220368198 /nfs/dbraw/zinc/36/81/98/1220368198.db2.gz DDWCRTWQZQHSDE-BEFAXECRSA-N 2 2 362.522 0.998 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488079 1220371422 /nfs/dbraw/zinc/37/14/22/1220371422.db2.gz KYKSELSUNJERLC-KHYOSLBOSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488079 1220371423 /nfs/dbraw/zinc/37/14/23/1220371423.db2.gz KYKSELSUNJERLC-KHYOSLBOSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCCO[C@H]1CCOC1)C2 ZINC001101488160 1220371578 /nfs/dbraw/zinc/37/15/78/1220371578.db2.gz PHGSMIDEIBUSMS-AOIWGVFYSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCCO[C@H]1CCOC1)C2 ZINC001101488160 1220371583 /nfs/dbraw/zinc/37/15/83/1220371583.db2.gz PHGSMIDEIBUSMS-AOIWGVFYSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048499 1220477076 /nfs/dbraw/zinc/47/70/76/1220477076.db2.gz FAAIBDHMOZWDSC-SUYBPPKGSA-N 2 2 363.462 0.637 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102048499 1220477079 /nfs/dbraw/zinc/47/70/79/1220477079.db2.gz FAAIBDHMOZWDSC-SUYBPPKGSA-N 2 2 363.462 0.637 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071796 1220486150 /nfs/dbraw/zinc/48/61/50/1220486150.db2.gz VYVOUOSUGKYXLE-INMHGKMJSA-N 2 2 365.526 0.853 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071796 1220486151 /nfs/dbraw/zinc/48/61/51/1220486151.db2.gz VYVOUOSUGKYXLE-INMHGKMJSA-N 2 2 365.526 0.853 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2C)c[nH+]1 ZINC001102080125 1220489974 /nfs/dbraw/zinc/48/99/74/1220489974.db2.gz RWOAQQAAGSPJAK-GDBMZVCRSA-N 2 2 361.490 0.843 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)c[nH+]1 ZINC001102080125 1220489980 /nfs/dbraw/zinc/48/99/80/1220489980.db2.gz RWOAQQAAGSPJAK-GDBMZVCRSA-N 2 2 361.490 0.843 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)c[nH+]1 ZINC001102083844 1220490204 /nfs/dbraw/zinc/49/02/04/1220490204.db2.gz UCURBWHRFIEEFY-GDBMZVCRSA-N 2 2 359.478 0.902 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)c[nH+]1 ZINC001102083844 1220490206 /nfs/dbraw/zinc/49/02/06/1220490206.db2.gz UCURBWHRFIEEFY-GDBMZVCRSA-N 2 2 359.478 0.902 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104419 1220496971 /nfs/dbraw/zinc/49/69/71/1220496971.db2.gz UZMLVOGEFYZPDN-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104419 1220496985 /nfs/dbraw/zinc/49/69/85/1220496985.db2.gz UZMLVOGEFYZPDN-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102155873 1220528721 /nfs/dbraw/zinc/52/87/21/1220528721.db2.gz DYQWHMVBVMGWPS-UKRRQHHQSA-N 2 2 363.441 0.637 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102155873 1220528724 /nfs/dbraw/zinc/52/87/24/1220528724.db2.gz DYQWHMVBVMGWPS-UKRRQHHQSA-N 2 2 363.441 0.637 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366884 1220596831 /nfs/dbraw/zinc/59/68/31/1220596831.db2.gz TYQNOFWWBRRMAO-QLFBSQMISA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366884 1220596836 /nfs/dbraw/zinc/59/68/36/1220596836.db2.gz TYQNOFWWBRRMAO-QLFBSQMISA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366884 1220596842 /nfs/dbraw/zinc/59/68/42/1220596842.db2.gz TYQNOFWWBRRMAO-QLFBSQMISA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366884 1220596845 /nfs/dbraw/zinc/59/68/45/1220596845.db2.gz TYQNOFWWBRRMAO-QLFBSQMISA-N 2 2 361.494 0.676 20 0 FCADLP C[C@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468793 1220639515 /nfs/dbraw/zinc/63/95/15/1220639515.db2.gz ZZKXGRBIDDUANH-BRWVUGGUSA-N 2 2 361.490 0.944 20 0 FCADLP C[C@H](c1ncccn1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468793 1220639519 /nfs/dbraw/zinc/63/95/19/1220639519.db2.gz ZZKXGRBIDDUANH-BRWVUGGUSA-N 2 2 361.490 0.944 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497529 1220658157 /nfs/dbraw/zinc/65/81/57/1220658157.db2.gz XGEJGLBEKYLLAX-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497529 1220658159 /nfs/dbraw/zinc/65/81/59/1220658159.db2.gz XGEJGLBEKYLLAX-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102497529 1220658162 /nfs/dbraw/zinc/65/81/62/1220658162.db2.gz XGEJGLBEKYLLAX-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497529 1220658166 /nfs/dbraw/zinc/65/81/66/1220658166.db2.gz XGEJGLBEKYLLAX-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)c1nnnn1C ZINC001229142473 1225983111 /nfs/dbraw/zinc/98/31/11/1225983111.db2.gz UTSTVYQEKQTQHJ-RRFJBIMHSA-N 2 2 365.482 0.010 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513939 1220673934 /nfs/dbraw/zinc/67/39/34/1220673934.db2.gz HDEASYMQNHHLDM-OWCLPIDISA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513939 1220673937 /nfs/dbraw/zinc/67/39/37/1220673937.db2.gz HDEASYMQNHHLDM-OWCLPIDISA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513939 1220673940 /nfs/dbraw/zinc/67/39/40/1220673940.db2.gz HDEASYMQNHHLDM-OWCLPIDISA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513939 1220673942 /nfs/dbraw/zinc/67/39/42/1220673942.db2.gz HDEASYMQNHHLDM-OWCLPIDISA-N 2 2 363.510 0.780 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513906 1220674029 /nfs/dbraw/zinc/67/40/29/1220674029.db2.gz GGANHUPEYYGUPL-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102513906 1220674031 /nfs/dbraw/zinc/67/40/31/1220674031.db2.gz GGANHUPEYYGUPL-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102513906 1220674035 /nfs/dbraw/zinc/67/40/35/1220674035.db2.gz GGANHUPEYYGUPL-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102513906 1220674037 /nfs/dbraw/zinc/67/40/37/1220674037.db2.gz GGANHUPEYYGUPL-BZUAXINKSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514833 1220674559 /nfs/dbraw/zinc/67/45/59/1220674559.db2.gz PWRIRPGFGJAJSL-QLFBSQMISA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514833 1220674562 /nfs/dbraw/zinc/67/45/62/1220674562.db2.gz PWRIRPGFGJAJSL-QLFBSQMISA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001103011846 1220819448 /nfs/dbraw/zinc/81/94/48/1220819448.db2.gz UCLYIMRORMVTCO-XJKCOSOUSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001103011846 1220819450 /nfs/dbraw/zinc/81/94/50/1220819450.db2.gz UCLYIMRORMVTCO-XJKCOSOUSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001103011846 1220819453 /nfs/dbraw/zinc/81/94/53/1220819453.db2.gz UCLYIMRORMVTCO-XJKCOSOUSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001103011846 1220819454 /nfs/dbraw/zinc/81/94/54/1220819454.db2.gz UCLYIMRORMVTCO-XJKCOSOUSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103070241 1220828183 /nfs/dbraw/zinc/82/81/83/1220828183.db2.gz DGLPLQGVGQZDHT-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103070241 1220828184 /nfs/dbraw/zinc/82/81/84/1220828184.db2.gz DGLPLQGVGQZDHT-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103070241 1220828186 /nfs/dbraw/zinc/82/81/86/1220828186.db2.gz DGLPLQGVGQZDHT-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103070241 1220828190 /nfs/dbraw/zinc/82/81/90/1220828190.db2.gz DGLPLQGVGQZDHT-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103070214 1220828380 /nfs/dbraw/zinc/82/83/80/1220828380.db2.gz BZXOFCRQBWCNMC-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103070214 1220828381 /nfs/dbraw/zinc/82/83/81/1220828381.db2.gz BZXOFCRQBWCNMC-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103070214 1220828382 /nfs/dbraw/zinc/82/83/82/1220828382.db2.gz BZXOFCRQBWCNMC-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103070214 1220828383 /nfs/dbraw/zinc/82/83/83/1220828383.db2.gz BZXOFCRQBWCNMC-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136690 1220839274 /nfs/dbraw/zinc/83/92/74/1220839274.db2.gz OAPQXQRIMIKRFJ-KCYZZUKISA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136690 1220839276 /nfs/dbraw/zinc/83/92/76/1220839276.db2.gz OAPQXQRIMIKRFJ-KCYZZUKISA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136690 1220839279 /nfs/dbraw/zinc/83/92/79/1220839279.db2.gz OAPQXQRIMIKRFJ-KCYZZUKISA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[NH+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136690 1220839280 /nfs/dbraw/zinc/83/92/80/1220839280.db2.gz OAPQXQRIMIKRFJ-KCYZZUKISA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159247 1220841887 /nfs/dbraw/zinc/84/18/87/1220841887.db2.gz AQNHOEJAJQDOBM-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159247 1220841889 /nfs/dbraw/zinc/84/18/89/1220841889.db2.gz AQNHOEJAJQDOBM-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159635 1220842004 /nfs/dbraw/zinc/84/20/04/1220842004.db2.gz RLWOOFRBFWZYBI-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159635 1220842005 /nfs/dbraw/zinc/84/20/05/1220842005.db2.gz RLWOOFRBFWZYBI-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103162982 1220842530 /nfs/dbraw/zinc/84/25/30/1220842530.db2.gz SKQDXYBJRISSJS-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103162982 1220842531 /nfs/dbraw/zinc/84/25/31/1220842531.db2.gz SKQDXYBJRISSJS-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP COCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)no1 ZINC001103398550 1220877362 /nfs/dbraw/zinc/87/73/62/1220877362.db2.gz XUYPHDBRXKJBLN-HUUCEWRRSA-N 2 2 367.494 0.784 20 0 FCADLP COCCc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)no1 ZINC001103398550 1220877364 /nfs/dbraw/zinc/87/73/64/1220877364.db2.gz XUYPHDBRXKJBLN-HUUCEWRRSA-N 2 2 367.494 0.784 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537138 1220896885 /nfs/dbraw/zinc/89/68/85/1220896885.db2.gz VALCOKUMHQPOGF-HZPDHXFCSA-N 2 2 364.494 0.112 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537138 1220896886 /nfs/dbraw/zinc/89/68/86/1220896886.db2.gz VALCOKUMHQPOGF-HZPDHXFCSA-N 2 2 364.494 0.112 20 0 FCADLP Cc1ncn(C)c1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277377488 1226002977 /nfs/dbraw/zinc/00/29/77/1226002977.db2.gz ZYPRCITVZOYPAT-SFHVURJKSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1ncn(C)c1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277377488 1226002986 /nfs/dbraw/zinc/00/29/86/1226002986.db2.gz ZYPRCITVZOYPAT-SFHVURJKSA-N 2 2 358.446 0.429 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644496 1220925989 /nfs/dbraw/zinc/92/59/89/1220925989.db2.gz CFGBKEGHFOIIGE-BZUAXINKSA-N 2 2 371.489 0.816 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644496 1220925995 /nfs/dbraw/zinc/92/59/95/1220925995.db2.gz CFGBKEGHFOIIGE-BZUAXINKSA-N 2 2 371.489 0.816 20 0 FCADLP CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034061 1221001657 /nfs/dbraw/zinc/00/16/57/1221001657.db2.gz QXZUVUVFMUWRBZ-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034061 1221001660 /nfs/dbraw/zinc/00/16/60/1221001660.db2.gz QXZUVUVFMUWRBZ-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104133104 1221012022 /nfs/dbraw/zinc/01/20/22/1221012022.db2.gz OXEKECINPJYVFH-CHWSQXEVSA-N 2 2 361.450 0.039 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4(CNC(=O)O4)CC3)C2)CC1 ZINC000780465055 1221025899 /nfs/dbraw/zinc/02/58/99/1221025899.db2.gz HGNBIXYSOXHJBM-AWEZNQCLSA-N 2 2 365.478 0.439 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(CNC(=O)O4)CC3)C2)CC1 ZINC000780465055 1221025903 /nfs/dbraw/zinc/02/59/03/1221025903.db2.gz HGNBIXYSOXHJBM-AWEZNQCLSA-N 2 2 365.478 0.439 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111731895 1221080247 /nfs/dbraw/zinc/08/02/47/1221080247.db2.gz SJKWBLDEOWVKAB-KSSFIOAISA-N 2 2 360.462 0.338 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111731895 1221080249 /nfs/dbraw/zinc/08/02/49/1221080249.db2.gz SJKWBLDEOWVKAB-KSSFIOAISA-N 2 2 360.462 0.338 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782002198 1221121626 /nfs/dbraw/zinc/12/16/26/1221121626.db2.gz XFBYHPNGTWARKX-OAHLLOKOSA-N 2 2 373.457 0.693 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782002197 1221121988 /nfs/dbraw/zinc/12/19/88/1221121988.db2.gz XFBYHPNGTWARKX-HNNXBMFYSA-N 2 2 373.457 0.693 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)no1 ZINC001111861240 1221140183 /nfs/dbraw/zinc/14/01/83/1221140183.db2.gz CUKMSUPRIQEMEZ-KSSFIOAISA-N 2 2 363.462 0.844 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)no1 ZINC001111861240 1221140189 /nfs/dbraw/zinc/14/01/89/1221140189.db2.gz CUKMSUPRIQEMEZ-KSSFIOAISA-N 2 2 363.462 0.844 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001111866444 1221142468 /nfs/dbraw/zinc/14/24/68/1221142468.db2.gz WOEJEGHIRADMJK-DOXZYTNZSA-N 2 2 362.474 0.809 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001111866444 1221142471 /nfs/dbraw/zinc/14/24/71/1221142471.db2.gz WOEJEGHIRADMJK-DOXZYTNZSA-N 2 2 362.474 0.809 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111938269 1221178591 /nfs/dbraw/zinc/17/85/91/1221178591.db2.gz TWTFFEUITLPPLM-LPHOPBHVSA-N 2 2 361.490 0.834 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111938269 1221178594 /nfs/dbraw/zinc/17/85/94/1221178594.db2.gz TWTFFEUITLPPLM-LPHOPBHVSA-N 2 2 361.490 0.834 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112018624 1221202144 /nfs/dbraw/zinc/20/21/44/1221202144.db2.gz IBHKAGISDCKIMP-SYNHAJSKSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112018624 1221202147 /nfs/dbraw/zinc/20/21/47/1221202147.db2.gz IBHKAGISDCKIMP-SYNHAJSKSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112018624 1221202150 /nfs/dbraw/zinc/20/21/50/1221202150.db2.gz IBHKAGISDCKIMP-SYNHAJSKSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001112018624 1221202153 /nfs/dbraw/zinc/20/21/53/1221202153.db2.gz IBHKAGISDCKIMP-SYNHAJSKSA-N 2 2 358.486 0.963 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074323 1221334216 /nfs/dbraw/zinc/33/42/16/1221334216.db2.gz QGZFKIADEUIDCA-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074323 1221334219 /nfs/dbraw/zinc/33/42/19/1221334219.db2.gz QGZFKIADEUIDCA-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074323 1221334222 /nfs/dbraw/zinc/33/42/22/1221334222.db2.gz QGZFKIADEUIDCA-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074323 1221334226 /nfs/dbraw/zinc/33/42/26/1221334226.db2.gz QGZFKIADEUIDCA-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+]3CCO[C@H]2C3)CC1 ZINC001229956646 1226041999 /nfs/dbraw/zinc/04/19/99/1226041999.db2.gz RPMYZLNIXWACJZ-MSOLQXFVSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC001117171409 1221487390 /nfs/dbraw/zinc/48/73/90/1221487390.db2.gz YKEZIFZGLSJJJL-ZBFHGGJFSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC001230018493 1226045807 /nfs/dbraw/zinc/04/58/07/1226045807.db2.gz BALXABUJSOWLHT-IAGOWNOFSA-N 2 2 361.490 0.992 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC001117773542 1221623253 /nfs/dbraw/zinc/62/32/53/1221623253.db2.gz SQUVWDCQOZKPOG-HXUWFJFHSA-N 2 2 371.529 0.433 20 0 FCADLP C[NH+](C)CC[C@H](N)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC001118295884 1221753098 /nfs/dbraw/zinc/75/30/98/1221753098.db2.gz YXQMLZSJKDSKNZ-AWEZNQCLSA-N 2 2 373.461 0.471 20 0 FCADLP C[NH+]1CCN(c2ccccc2CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC001118411693 1221776502 /nfs/dbraw/zinc/77/65/02/1221776502.db2.gz NAAWYGQRTIHVLI-UHFFFAOYSA-N 3 2 374.533 0.775 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[C@@H]1C(F)(F)F ZINC001118867280 1221837365 /nfs/dbraw/zinc/83/73/65/1221837365.db2.gz JQAFBVFMWSKGPV-WOPDTQHZSA-N 2 2 373.379 0.300 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119145397 1221877592 /nfs/dbraw/zinc/87/75/92/1221877592.db2.gz VJCAOIFHTAKMLZ-SJLPKXTDSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119145397 1221877593 /nfs/dbraw/zinc/87/75/93/1221877593.db2.gz VJCAOIFHTAKMLZ-SJLPKXTDSA-N 2 2 368.522 0.897 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001119377962 1221910276 /nfs/dbraw/zinc/91/02/76/1221910276.db2.gz WIJQLXNMHRCDLT-OALUTQOASA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001119377962 1221910280 /nfs/dbraw/zinc/91/02/80/1221910280.db2.gz WIJQLXNMHRCDLT-OALUTQOASA-N 2 2 360.502 0.908 20 0 FCADLP O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001119682677 1221949976 /nfs/dbraw/zinc/94/99/76/1221949976.db2.gz QTQHXARRPYKXSO-CVEARBPZSA-N 2 2 365.478 0.117 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001120546847 1222103307 /nfs/dbraw/zinc/10/33/07/1222103307.db2.gz UDARWMXWTLRHRT-ABAIWWIYSA-N 2 2 373.375 0.727 20 0 FCADLP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001121952045 1222226853 /nfs/dbraw/zinc/22/68/53/1222226853.db2.gz RWHQUTFGOXLEIQ-JKSUJKDBSA-N 2 2 374.489 0.479 20 0 FCADLP [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001121952045 1222226858 /nfs/dbraw/zinc/22/68/58/1222226858.db2.gz RWHQUTFGOXLEIQ-JKSUJKDBSA-N 2 2 374.489 0.479 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)CC1 ZINC001121946055 1222227108 /nfs/dbraw/zinc/22/71/08/1222227108.db2.gz KSIFXIWGQJHKRR-IRJFHVNHSA-N 2 2 358.486 0.716 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(c3ccccc3)C[C@H]([NH3+])C2)CC1 ZINC001121946055 1222227112 /nfs/dbraw/zinc/22/71/12/1222227112.db2.gz KSIFXIWGQJHKRR-IRJFHVNHSA-N 2 2 358.486 0.716 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001122205098 1222250974 /nfs/dbraw/zinc/25/09/74/1222250974.db2.gz CAJQFJKBTSEONM-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC001123695790 1222350837 /nfs/dbraw/zinc/35/08/37/1222350837.db2.gz WOCORDYMAAGMCA-DLBZAZTESA-N 2 2 360.506 0.856 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC001123695790 1222350842 /nfs/dbraw/zinc/35/08/42/1222350842.db2.gz WOCORDYMAAGMCA-DLBZAZTESA-N 2 2 360.506 0.856 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123696009 1222351433 /nfs/dbraw/zinc/35/14/33/1222351433.db2.gz YYZQKDCRTGEDDT-RYRKJORJSA-N 2 2 360.506 0.936 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123696009 1222351437 /nfs/dbraw/zinc/35/14/37/1222351437.db2.gz YYZQKDCRTGEDDT-RYRKJORJSA-N 2 2 360.506 0.936 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001138469659 1222511632 /nfs/dbraw/zinc/51/16/32/1222511632.db2.gz OFRXPPSKJLSWPF-UHFFFAOYSA-N 2 2 371.445 0.909 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817180 1222591645 /nfs/dbraw/zinc/59/16/45/1222591645.db2.gz KLWOOUSLDQNGCI-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817180 1222591648 /nfs/dbraw/zinc/59/16/48/1222591648.db2.gz KLWOOUSLDQNGCI-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000834817180 1222591652 /nfs/dbraw/zinc/59/16/52/1222591652.db2.gz KLWOOUSLDQNGCI-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000834817180 1222591656 /nfs/dbraw/zinc/59/16/56/1222591656.db2.gz KLWOOUSLDQNGCI-LVQVYYBASA-N 2 2 366.506 0.295 20 0 FCADLP O=C1C[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C(=O)N1CCCO ZINC000840737737 1222801020 /nfs/dbraw/zinc/80/10/20/1222801020.db2.gz BYDVAHDITDPBFN-INIZCTEOSA-N 2 2 360.458 0.909 20 0 FCADLP COC(=O)c1ccc(C2CN(C(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)C2)cc1 ZINC001161220739 1222816437 /nfs/dbraw/zinc/81/64/37/1222816437.db2.gz AKIBKRVEFSSGHG-KRWDZBQOSA-N 2 2 360.458 0.149 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142344729 1222825443 /nfs/dbraw/zinc/82/54/43/1222825443.db2.gz MTMHXOVOGZWCEN-QGZVFWFLSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142344729 1222825444 /nfs/dbraw/zinc/82/54/44/1222825444.db2.gz MTMHXOVOGZWCEN-QGZVFWFLSA-N 2 2 360.458 0.609 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C[NH3+] ZINC000842058789 1222834243 /nfs/dbraw/zinc/83/42/43/1222834243.db2.gz XWPPLYHEADVMMF-HOCLYGCPSA-N 2 2 355.442 0.932 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842058742 1222834300 /nfs/dbraw/zinc/83/43/00/1222834300.db2.gz XGMJOLDTDSEZLW-IBGZPJMESA-N 2 2 353.426 0.843 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1C ZINC000842147133 1222837179 /nfs/dbraw/zinc/83/71/79/1222837179.db2.gz BKDXIJKMJYRWDH-TZMCWYRMSA-N 2 2 364.446 0.552 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000842202746 1222840824 /nfs/dbraw/zinc/84/08/24/1222840824.db2.gz LABVRTZOYNYXNH-QGZVFWFLSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000842202746 1222840825 /nfs/dbraw/zinc/84/08/25/1222840825.db2.gz LABVRTZOYNYXNH-QGZVFWFLSA-N 2 2 356.470 0.891 20 0 FCADLP CC[NH+]1CCN(c2ccc(-c3noc(CN4CC[NH2+]CC4=O)n3)cn2)CC1 ZINC000843208213 1222860914 /nfs/dbraw/zinc/86/09/14/1222860914.db2.gz RWALCNOTGXPKPB-UHFFFAOYSA-N 2 2 371.445 0.205 20 0 FCADLP CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C1=O ZINC000843356383 1222872580 /nfs/dbraw/zinc/87/25/80/1222872580.db2.gz VXCWJMRYCWNYEW-OALUTQOASA-N 2 2 373.457 0.592 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734256 1222888659 /nfs/dbraw/zinc/88/86/59/1222888659.db2.gz VQZLCTYZFJCPOR-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734256 1222888664 /nfs/dbraw/zinc/88/86/64/1222888664.db2.gz VQZLCTYZFJCPOR-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734256 1222888667 /nfs/dbraw/zinc/88/86/67/1222888667.db2.gz VQZLCTYZFJCPOR-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734256 1222888670 /nfs/dbraw/zinc/88/86/70/1222888670.db2.gz VQZLCTYZFJCPOR-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH+](CCCO)CC1 ZINC001151312127 1222921845 /nfs/dbraw/zinc/92/18/45/1222921845.db2.gz JLJGPTKSEUWRLV-HZPDHXFCSA-N 2 2 364.490 0.893 20 0 FCADLP CCN(C(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CC1 ZINC001154020318 1222997895 /nfs/dbraw/zinc/99/78/95/1222997895.db2.gz GMAYYXNBTLAFKZ-BFYDXBDKSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CC1 ZINC001154020318 1222997900 /nfs/dbraw/zinc/99/79/00/1222997900.db2.gz GMAYYXNBTLAFKZ-BFYDXBDKSA-N 2 2 368.522 0.543 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001154931497 1223020954 /nfs/dbraw/zinc/02/09/54/1223020954.db2.gz PBDMRDZEWLXDQG-UHFFFAOYSA-N 2 2 356.430 0.503 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001154931497 1223020960 /nfs/dbraw/zinc/02/09/60/1223020960.db2.gz PBDMRDZEWLXDQG-UHFFFAOYSA-N 2 2 356.430 0.503 20 0 FCADLP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)N1 ZINC001155574025 1223037905 /nfs/dbraw/zinc/03/79/05/1223037905.db2.gz DIPCTBQAAGRWQY-PXAZEXFGSA-N 2 2 358.450 0.062 20 0 FCADLP C1CCN(c2nc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc(N3CCCC3)[nH+]2)C1 ZINC001155627410 1223040352 /nfs/dbraw/zinc/04/03/52/1223040352.db2.gz ZWARILSJYGMFKW-BEFAXECRSA-N 2 2 373.505 0.817 20 0 FCADLP COC(=O)C1CCN(c2nccnc2NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001157914684 1223084222 /nfs/dbraw/zinc/08/42/22/1223084222.db2.gz FNWXRQVGCULGLW-UHFFFAOYSA-N 2 2 361.450 0.460 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001158007526 1223086612 /nfs/dbraw/zinc/08/66/12/1223086612.db2.gz ULFCUOVKLIUIRQ-WBVHZDCISA-N 2 2 356.426 0.468 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001157999284 1223086636 /nfs/dbraw/zinc/08/66/36/1223086636.db2.gz PWPDGVYVUFOOMQ-FXAWDEMLSA-N 2 2 359.470 0.962 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001158006396 1223086648 /nfs/dbraw/zinc/08/66/48/1223086648.db2.gz LFGHSJSCCFARKF-RIFZZMRRSA-N 2 2 372.469 0.076 20 0 FCADLP COc1cnc(N2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC2)nc1 ZINC001158064497 1223088229 /nfs/dbraw/zinc/08/82/29/1223088229.db2.gz JHHFNXUCWBTPKA-UHFFFAOYSA-N 2 2 355.446 0.616 20 0 FCADLP CCOC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C(=O)OCC ZINC001158209124 1223090796 /nfs/dbraw/zinc/09/07/96/1223090796.db2.gz HCFOXLVFDIECKM-LLVKDONJSA-N 2 2 362.386 0.483 20 0 FCADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158250201 1223091500 /nfs/dbraw/zinc/09/15/00/1223091500.db2.gz XOHSRSVJEXHUES-HZPDHXFCSA-N 2 2 361.490 0.728 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(C(=O)NC4CCOCC4)nn3)CC2)C1 ZINC001158266611 1223093122 /nfs/dbraw/zinc/09/31/22/1223093122.db2.gz DYOXGYRGDQKZRL-CQSZACIVSA-N 2 2 374.489 0.387 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(C(=O)NC4CCOCC4)nn3)CC2)C1 ZINC001158266611 1223093124 /nfs/dbraw/zinc/09/31/24/1223093124.db2.gz DYOXGYRGDQKZRL-CQSZACIVSA-N 2 2 374.489 0.387 20 0 FCADLP CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]([NH3+])C[NH2+]4)C[C@H]3O2)n1 ZINC001158645205 1223104432 /nfs/dbraw/zinc/10/44/32/1223104432.db2.gz CPNHVHPASIVFTI-QMPXSYISSA-N 2 2 359.474 0.968 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)C1 ZINC001158924878 1223112791 /nfs/dbraw/zinc/11/27/91/1223112791.db2.gz BCHASOZNSSTEJG-TXPKVOOTSA-N 2 2 360.433 0.466 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)cn1 ZINC001158982736 1223114806 /nfs/dbraw/zinc/11/48/06/1223114806.db2.gz LDEPGCMRBDWOQN-XJKSGUPXSA-N 2 2 358.446 0.578 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001159075736 1223116641 /nfs/dbraw/zinc/11/66/41/1223116641.db2.gz GIZWXLMGURHSES-LPHOPBHVSA-N 2 2 365.474 0.551 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001159077444 1223117316 /nfs/dbraw/zinc/11/73/16/1223117316.db2.gz PHEYIQUWVBCILH-BXWFABGCSA-N 2 2 367.490 0.759 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccc(C[NH3+])c3)C2)C1 ZINC001159124928 1223117942 /nfs/dbraw/zinc/11/79/42/1223117942.db2.gz ACSCSHQHJGFTHJ-FQEVSTJZSA-N 2 2 374.485 0.446 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccc(C[NH3+])c3)C2)C1 ZINC001159124928 1223117944 /nfs/dbraw/zinc/11/79/44/1223117944.db2.gz ACSCSHQHJGFTHJ-FQEVSTJZSA-N 2 2 374.485 0.446 20 0 FCADLP [NH3+]C1(C(=O)N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC[NH2+]CC1 ZINC001159146526 1223119087 /nfs/dbraw/zinc/11/90/87/1223119087.db2.gz OOHLMAXPEBQMTG-LJQANCHMSA-N 2 2 371.485 0.646 20 0 FCADLP [NH3+][C@H](C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192896 1223120354 /nfs/dbraw/zinc/12/03/54/1223120354.db2.gz YTVPLRDKUYGIKB-QAPCUYQASA-N 3 2 361.490 0.595 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)O1 ZINC001159245602 1223121714 /nfs/dbraw/zinc/12/17/14/1223121714.db2.gz MOBIMLZEBAAAAI-ZFRZLUBXSA-N 2 2 364.450 0.067 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)O1 ZINC001159245602 1223121718 /nfs/dbraw/zinc/12/17/18/1223121718.db2.gz MOBIMLZEBAAAAI-ZFRZLUBXSA-N 2 2 364.450 0.067 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)C1 ZINC001159278689 1223122713 /nfs/dbraw/zinc/12/27/13/1223122713.db2.gz AYYFNKQKGWDDRH-SJORKVTESA-N 2 2 356.470 0.831 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@@H]21 ZINC001159533405 1223129509 /nfs/dbraw/zinc/12/95/09/1223129509.db2.gz FPULTDPGDAYANX-ZBRFXRBCSA-N 3 2 360.506 0.272 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@@H]21 ZINC001159533405 1223129511 /nfs/dbraw/zinc/12/95/11/1223129511.db2.gz FPULTDPGDAYANX-ZBRFXRBCSA-N 3 2 360.506 0.272 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159585920 1223130452 /nfs/dbraw/zinc/13/04/52/1223130452.db2.gz VJXLVVQVXBIUQB-LTIDMASMSA-N 2 2 359.474 0.218 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)cc1 ZINC001159609623 1223131291 /nfs/dbraw/zinc/13/12/91/1223131291.db2.gz OCXPERHXXYWKAB-XMTFNYHQSA-N 2 2 372.469 0.401 20 0 FCADLP O=C([C@H]1CC[NH2+]C[C@@H]1F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633597 1223131665 /nfs/dbraw/zinc/13/16/65/1223131665.db2.gz OLIZWKXTSYWVLA-GJZGRUSLSA-N 2 2 374.420 0.168 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H]2C ZINC001159632941 1223131844 /nfs/dbraw/zinc/13/18/44/1223131844.db2.gz DDAFXFVVAITRMH-PBHICJAKSA-N 3 2 373.505 0.930 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H]2C ZINC001159632941 1223131846 /nfs/dbraw/zinc/13/18/46/1223131846.db2.gz DDAFXFVVAITRMH-PBHICJAKSA-N 3 2 373.505 0.930 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667140 1223132770 /nfs/dbraw/zinc/13/27/70/1223132770.db2.gz SUXGMRIIRUDJKO-RTBURBONSA-N 3 2 373.501 0.225 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667140 1223132774 /nfs/dbraw/zinc/13/27/74/1223132774.db2.gz SUXGMRIIRUDJKO-RTBURBONSA-N 3 2 373.501 0.225 20 0 FCADLP O=C(N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159699637 1223134632 /nfs/dbraw/zinc/13/46/32/1223134632.db2.gz XKKKMWKILFXNMW-ISIBIEBGSA-N 2 2 372.469 0.418 20 0 FCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000054937980 1223136581 /nfs/dbraw/zinc/13/65/81/1223136581.db2.gz WBKHMJRBCWTDCX-KRWDZBQOSA-N 2 2 360.458 0.320 20 0 FCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000054937980 1223136583 /nfs/dbraw/zinc/13/65/83/1223136583.db2.gz WBKHMJRBCWTDCX-KRWDZBQOSA-N 2 2 360.458 0.320 20 0 FCADLP O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001159965238 1223140772 /nfs/dbraw/zinc/14/07/72/1223140772.db2.gz ANVZDYMABWFKJL-SHAWWILOSA-N 2 2 372.444 0.449 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)C1 ZINC001159965286 1223140944 /nfs/dbraw/zinc/14/09/44/1223140944.db2.gz BFUCYROHYYVBMQ-AJYBTWMASA-N 2 2 374.485 0.685 20 0 FCADLP O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159970450 1223141323 /nfs/dbraw/zinc/14/13/23/1223141323.db2.gz ZRQMOVWNTQFRSU-FWYGIPPASA-N 2 2 372.444 0.450 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@H]12 ZINC001159989892 1223142042 /nfs/dbraw/zinc/14/20/42/1223142042.db2.gz DUSBFQTVIIKJRN-CGBFIWBNSA-N 2 2 356.470 0.467 20 0 FCADLP [NH3+]C1(C(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)CC[NH2+]CC1 ZINC001160083871 1223144610 /nfs/dbraw/zinc/14/46/10/1223144610.db2.gz DALGGSCPVSNKLD-MAUKXSAKSA-N 2 2 357.458 0.017 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160172845 1223147951 /nfs/dbraw/zinc/14/79/51/1223147951.db2.gz HQBJHSHTICZWPU-AWEZNQCLSA-N 2 2 368.397 0.826 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001160421052 1223158460 /nfs/dbraw/zinc/15/84/60/1223158460.db2.gz NWALGMJQNPDWCT-TUKIKUTGSA-N 2 2 358.417 0.588 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001160478980 1223161596 /nfs/dbraw/zinc/16/15/96/1223161596.db2.gz HLVYOWKOHJWBSQ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](CC(=O)N3CCC3)CC2)O1 ZINC001160478980 1223161599 /nfs/dbraw/zinc/16/15/99/1223161599.db2.gz HLVYOWKOHJWBSQ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](CC(=O)N3CCC3)CC2)O1 ZINC001160478980 1223161603 /nfs/dbraw/zinc/16/16/03/1223161603.db2.gz HLVYOWKOHJWBSQ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](CC(=O)N3CCC3)CC2)O1 ZINC001160478980 1223161605 /nfs/dbraw/zinc/16/16/05/1223161605.db2.gz HLVYOWKOHJWBSQ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001160696256 1223168557 /nfs/dbraw/zinc/16/85/57/1223168557.db2.gz LPSAMTDDABUCFE-CQSZACIVSA-N 2 2 359.434 0.334 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C[C@H]1C2 ZINC001160803625 1223174325 /nfs/dbraw/zinc/17/43/25/1223174325.db2.gz GECUXAXIORVZMD-VWQQLOEOSA-N 2 2 369.425 0.616 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161137503 1223186278 /nfs/dbraw/zinc/18/62/78/1223186278.db2.gz FOJBCBRKFKUUMH-FOIQADDNSA-N 2 2 357.454 0.898 20 0 FCADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161145737 1223187141 /nfs/dbraw/zinc/18/71/41/1223187141.db2.gz ITMRYEIXMFVZNR-IRXDYDNUSA-N 3 2 362.474 0.329 20 0 FCADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161145737 1223187143 /nfs/dbraw/zinc/18/71/43/1223187143.db2.gz ITMRYEIXMFVZNR-IRXDYDNUSA-N 3 2 362.474 0.329 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C2(Cc3ccccc3F)CC[NH2+]CC2)C1 ZINC001161139656 1223187161 /nfs/dbraw/zinc/18/71/61/1223187161.db2.gz ZSLDVYJSDHWKLQ-IBGZPJMESA-N 2 2 363.433 0.841 20 0 FCADLP O=C(NC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1)c1cccc(F)c1 ZINC001161252766 1223191842 /nfs/dbraw/zinc/19/18/42/1223191842.db2.gz NOEZXDVNHUVMLW-AUUYWEPGSA-N 2 2 360.433 0.498 20 0 FCADLP CCn1c2ccccc2nc1N1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001161295974 1223194414 /nfs/dbraw/zinc/19/44/14/1223194414.db2.gz GUIUANQXPXECNH-SXGZJXTBSA-N 2 2 368.485 0.927 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001161306703 1223194989 /nfs/dbraw/zinc/19/49/89/1223194989.db2.gz WJLQCFGFEXDXQZ-GUYCJALGSA-N 2 2 363.462 0.228 20 0 FCADLP COc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC2)cc1 ZINC001161304228 1223195096 /nfs/dbraw/zinc/19/50/96/1223195096.db2.gz XSKSKOBYMGAIML-KRWDZBQOSA-N 2 2 371.441 0.283 20 0 FCADLP O=C(N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161457254 1223199555 /nfs/dbraw/zinc/19/95/55/1223199555.db2.gz QMAZSHLPHAQTQS-MGPUTAFESA-N 2 2 354.454 0.416 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC001161473106 1223200185 /nfs/dbraw/zinc/20/01/85/1223200185.db2.gz ULTPCNSAHZWLSS-HUUCEWRRSA-N 2 2 359.478 0.169 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC001161473106 1223200190 /nfs/dbraw/zinc/20/01/90/1223200190.db2.gz ULTPCNSAHZWLSS-HUUCEWRRSA-N 2 2 359.478 0.169 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N2Cc3ccccc3C[C@H]2C[NH3+])nc[nH+]1 ZINC001162744841 1223219260 /nfs/dbraw/zinc/21/92/60/1223219260.db2.gz GTRWWEIVGCDZLR-HOTGVXAUSA-N 2 2 352.442 0.821 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1 ZINC001163280292 1223228482 /nfs/dbraw/zinc/22/84/82/1223228482.db2.gz SEZUHLMQSAHYEF-KUHUBIRLSA-N 2 2 374.489 0.749 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1 ZINC001163280292 1223228485 /nfs/dbraw/zinc/22/84/85/1223228485.db2.gz SEZUHLMQSAHYEF-KUHUBIRLSA-N 2 2 374.489 0.749 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(c3[nH+]ccc4c3NC(=O)CO4)CC2)CC1 ZINC001165082627 1223241726 /nfs/dbraw/zinc/24/17/26/1223241726.db2.gz SCCXSFIEOUMUFP-UHFFFAOYSA-N 2 2 359.430 0.403 20 0 FCADLP COC(=O)[C@H]1COCCC12CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001165160892 1223243244 /nfs/dbraw/zinc/24/32/44/1223243244.db2.gz PTQVVFKWXOAPSC-OAHLLOKOSA-N 2 2 360.458 0.849 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)on1 ZINC001166960279 1223290423 /nfs/dbraw/zinc/29/04/23/1223290423.db2.gz DCJAYWDKKQWGOA-CHWSQXEVSA-N 2 2 360.418 0.555 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1ncnn1CC(F)F ZINC001166960334 1223290584 /nfs/dbraw/zinc/29/05/84/1223290584.db2.gz DVVHXTGMNHOCTM-VXGBXAGGSA-N 2 2 367.404 0.676 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1ccccc1 ZINC001166960503 1223290646 /nfs/dbraw/zinc/29/06/46/1223290646.db2.gz IGRYFABEGVJYDM-IAGOWNOFSA-N 2 2 369.469 0.936 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cnc4ccccn34)CC[C@@H]2C1 ZINC001203148668 1223291481 /nfs/dbraw/zinc/29/14/81/1223291481.db2.gz ODTGAMRKBHKAGR-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cnc4ccccn34)CC[C@@H]2C1 ZINC001203148668 1223291485 /nfs/dbraw/zinc/29/14/85/1223291485.db2.gz ODTGAMRKBHKAGR-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cnc4ccccn34)CC[C@@H]2C1 ZINC001203148668 1223291489 /nfs/dbraw/zinc/29/14/89/1223291489.db2.gz ODTGAMRKBHKAGR-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cnc4ccccn34)CC[C@@H]2C1 ZINC001203148668 1223291492 /nfs/dbraw/zinc/29/14/92/1223291492.db2.gz ODTGAMRKBHKAGR-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(C[NH2+]CCN2CCCC2=O)CC1 ZINC001205484752 1223327203 /nfs/dbraw/zinc/32/72/03/1223327203.db2.gz SKBOJXQDZVDTMW-HZPDHXFCSA-N 2 2 359.474 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(C[NH2+]CCN2CCCC2=O)CC1 ZINC001205484752 1223327205 /nfs/dbraw/zinc/32/72/05/1223327205.db2.gz SKBOJXQDZVDTMW-HZPDHXFCSA-N 2 2 359.474 0.964 20 0 FCADLP CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325910 1223354930 /nfs/dbraw/zinc/35/49/30/1223354930.db2.gz RUOGASFSMSBSJK-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP Cc1cnc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001207075028 1223412455 /nfs/dbraw/zinc/41/24/55/1223412455.db2.gz KNZQTHRFIMBQLW-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP Cc1cnc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001207075028 1223412458 /nfs/dbraw/zinc/41/24/58/1223412458.db2.gz KNZQTHRFIMBQLW-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2CCn3c(CNC(=O)c4ccno4)cnc3C2)CC1 ZINC001207396999 1223443402 /nfs/dbraw/zinc/44/34/02/1223443402.db2.gz ZYEWDXRZAQECIW-UHFFFAOYSA-N 2 2 358.446 0.959 20 0 FCADLP C[NH+]1CCC(C[N@H+]2CCn3c(CNC(=O)c4ccno4)cnc3C2)CC1 ZINC001207396999 1223443406 /nfs/dbraw/zinc/44/34/06/1223443406.db2.gz ZYEWDXRZAQECIW-UHFFFAOYSA-N 2 2 358.446 0.959 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)c[nH+]1 ZINC001207680929 1223469263 /nfs/dbraw/zinc/46/92/63/1223469263.db2.gz DYILRVSWWPUBBC-CZUORRHYSA-N 2 2 361.490 0.889 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)c[nH+]1 ZINC001207680929 1223469267 /nfs/dbraw/zinc/46/92/67/1223469267.db2.gz DYILRVSWWPUBBC-CZUORRHYSA-N 2 2 361.490 0.889 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790762 1223480044 /nfs/dbraw/zinc/48/00/44/1223480044.db2.gz XVUAYHRNESDQEE-WQVCFCJDSA-N 2 2 365.478 0.830 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790762 1223480047 /nfs/dbraw/zinc/48/00/47/1223480047.db2.gz XVUAYHRNESDQEE-WQVCFCJDSA-N 2 2 365.478 0.830 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281421 1223531084 /nfs/dbraw/zinc/53/10/84/1223531084.db2.gz HOLZIQJGFRYIPP-MGPQQGTHSA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281421 1223531087 /nfs/dbraw/zinc/53/10/87/1223531087.db2.gz HOLZIQJGFRYIPP-MGPQQGTHSA-N 2 2 367.494 0.141 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637051 1223565350 /nfs/dbraw/zinc/56/53/50/1223565350.db2.gz CYRHYHJOQPMZSX-ZIAGYGMSSA-N 2 2 369.510 0.247 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637051 1223565354 /nfs/dbraw/zinc/56/53/54/1223565354.db2.gz CYRHYHJOQPMZSX-ZIAGYGMSSA-N 2 2 369.510 0.247 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208637051 1223565357 /nfs/dbraw/zinc/56/53/57/1223565357.db2.gz CYRHYHJOQPMZSX-ZIAGYGMSSA-N 2 2 369.510 0.247 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208637051 1223565361 /nfs/dbraw/zinc/56/53/61/1223565361.db2.gz CYRHYHJOQPMZSX-ZIAGYGMSSA-N 2 2 369.510 0.247 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C)[NH+](C)C ZINC001208699383 1223571080 /nfs/dbraw/zinc/57/10/80/1223571080.db2.gz OOIIEJOHHNBHKQ-KFWWJZLASA-N 2 2 369.510 0.245 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C)[NH+](C)C ZINC001208699383 1223571083 /nfs/dbraw/zinc/57/10/83/1223571083.db2.gz OOIIEJOHHNBHKQ-KFWWJZLASA-N 2 2 369.510 0.245 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276609634 1223592891 /nfs/dbraw/zinc/59/28/91/1223592891.db2.gz LATIVCDLXDXUMW-FQEVSTJZSA-N 3 2 365.566 0.500 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276609634 1223592896 /nfs/dbraw/zinc/59/28/96/1223592896.db2.gz LATIVCDLXDXUMW-FQEVSTJZSA-N 3 2 365.566 0.500 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](CCC[NH+](C)C)C3)C2=O)CC1 ZINC001276609634 1223592899 /nfs/dbraw/zinc/59/28/99/1223592899.db2.gz LATIVCDLXDXUMW-FQEVSTJZSA-N 3 2 365.566 0.500 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](CCC[NH+](C)C)C3)C2=O)CC1 ZINC001276609634 1223592904 /nfs/dbraw/zinc/59/29/04/1223592904.db2.gz LATIVCDLXDXUMW-FQEVSTJZSA-N 3 2 365.566 0.500 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001209514183 1223625980 /nfs/dbraw/zinc/62/59/80/1223625980.db2.gz IIRTZGLABMNQOW-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001209514183 1223625984 /nfs/dbraw/zinc/62/59/84/1223625984.db2.gz IIRTZGLABMNQOW-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209700379 1223642120 /nfs/dbraw/zinc/64/21/20/1223642120.db2.gz VELKQLKIJPRYBS-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179053 1223673267 /nfs/dbraw/zinc/67/32/67/1223673267.db2.gz GZWYNQZQLRIHOX-KFWWJZLASA-N 2 2 367.494 0.272 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179053 1223673270 /nfs/dbraw/zinc/67/32/70/1223673270.db2.gz GZWYNQZQLRIHOX-KFWWJZLASA-N 2 2 367.494 0.272 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179053 1223673272 /nfs/dbraw/zinc/67/32/72/1223673272.db2.gz GZWYNQZQLRIHOX-KFWWJZLASA-N 2 2 367.494 0.272 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179053 1223673275 /nfs/dbraw/zinc/67/32/75/1223673275.db2.gz GZWYNQZQLRIHOX-KFWWJZLASA-N 2 2 367.494 0.272 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210718305 1223704717 /nfs/dbraw/zinc/70/47/17/1223704717.db2.gz UMKDDNYGSJQCNO-RHSMWYFYSA-N 2 2 357.458 0.688 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210718305 1223704721 /nfs/dbraw/zinc/70/47/21/1223704721.db2.gz UMKDDNYGSJQCNO-RHSMWYFYSA-N 2 2 357.458 0.688 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](C[C@@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693169 1223720050 /nfs/dbraw/zinc/72/00/50/1223720050.db2.gz DXBUHXUWJPELFR-CRAIPNDOSA-N 2 2 362.430 0.140 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](C[C@@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693169 1223720051 /nfs/dbraw/zinc/72/00/51/1223720051.db2.gz DXBUHXUWJPELFR-CRAIPNDOSA-N 2 2 362.430 0.140 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038014 1223720613 /nfs/dbraw/zinc/72/06/13/1223720613.db2.gz AOIVDXMAWFHHAQ-QLFBSQMISA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038014 1223720615 /nfs/dbraw/zinc/72/06/15/1223720615.db2.gz AOIVDXMAWFHHAQ-QLFBSQMISA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211053758 1223721569 /nfs/dbraw/zinc/72/15/69/1223721569.db2.gz BLXAJAHDSSPYOL-IXDOHACOSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211053758 1223721571 /nfs/dbraw/zinc/72/15/71/1223721571.db2.gz BLXAJAHDSSPYOL-IXDOHACOSA-N 2 2 368.522 0.258 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001211054858 1223722360 /nfs/dbraw/zinc/72/23/60/1223722360.db2.gz WQUBJLBFVHBWOL-BZUAXINKSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001211054858 1223722362 /nfs/dbraw/zinc/72/23/62/1223722362.db2.gz WQUBJLBFVHBWOL-BZUAXINKSA-N 2 2 368.522 0.306 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452510 1223744209 /nfs/dbraw/zinc/74/42/09/1223744209.db2.gz ZGGCTYSDYCXGCU-OWCLPIDISA-N 2 2 365.478 0.251 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452510 1223744212 /nfs/dbraw/zinc/74/42/12/1223744212.db2.gz ZGGCTYSDYCXGCU-OWCLPIDISA-N 2 2 365.478 0.251 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CC1 ZINC001213204434 1223768066 /nfs/dbraw/zinc/76/80/66/1223768066.db2.gz KNHDZNHDYNDYGX-IXDOHACOSA-N 2 2 364.490 0.983 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CC1 ZINC001213204434 1223768069 /nfs/dbraw/zinc/76/80/69/1223768069.db2.gz KNHDZNHDYNDYGX-IXDOHACOSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241743 1223775701 /nfs/dbraw/zinc/77/57/01/1223775701.db2.gz MFDYLEMZQYFZQW-ARFHVFGLSA-N 2 2 363.462 0.005 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241743 1223775703 /nfs/dbraw/zinc/77/57/03/1223775703.db2.gz MFDYLEMZQYFZQW-ARFHVFGLSA-N 2 2 363.462 0.005 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)c(C)n1 ZINC001213348187 1223789254 /nfs/dbraw/zinc/78/92/54/1223789254.db2.gz HBDMBWDQYYCUIX-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)c(C)n1 ZINC001213348187 1223789256 /nfs/dbraw/zinc/78/92/56/1223789256.db2.gz HBDMBWDQYYCUIX-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378569 1223792592 /nfs/dbraw/zinc/79/25/92/1223792592.db2.gz WUJIDZQENAJUAS-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378569 1223792595 /nfs/dbraw/zinc/79/25/95/1223792595.db2.gz WUJIDZQENAJUAS-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449088 1223799940 /nfs/dbraw/zinc/79/99/40/1223799940.db2.gz GBSFTYXQVZWOLT-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449088 1223799943 /nfs/dbraw/zinc/79/99/43/1223799943.db2.gz GBSFTYXQVZWOLT-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449088 1223799945 /nfs/dbraw/zinc/79/99/45/1223799945.db2.gz GBSFTYXQVZWOLT-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449088 1223799947 /nfs/dbraw/zinc/79/99/47/1223799947.db2.gz GBSFTYXQVZWOLT-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1OC)[NH+](C)C ZINC001213455738 1223801173 /nfs/dbraw/zinc/80/11/73/1223801173.db2.gz LCSAHEDNKCGQPC-OWCLPIDISA-N 2 2 365.478 0.449 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1OC)[NH+](C)C ZINC001213455738 1223801175 /nfs/dbraw/zinc/80/11/75/1223801175.db2.gz LCSAHEDNKCGQPC-OWCLPIDISA-N 2 2 365.478 0.449 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578354 1223816741 /nfs/dbraw/zinc/81/67/41/1223816741.db2.gz MYAPUZDEZBKIER-QZTJIDSGSA-N 2 2 365.449 0.863 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578354 1223816742 /nfs/dbraw/zinc/81/67/42/1223816742.db2.gz MYAPUZDEZBKIER-QZTJIDSGSA-N 2 2 365.449 0.863 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213594694 1223819865 /nfs/dbraw/zinc/81/98/65/1223819865.db2.gz NILGJRFDSMXIBA-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1OC ZINC001213594694 1223819869 /nfs/dbraw/zinc/81/98/69/1223819869.db2.gz NILGJRFDSMXIBA-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213599289 1223820649 /nfs/dbraw/zinc/82/06/49/1223820649.db2.gz ZBFIZHOXVHSAGD-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213599289 1223820650 /nfs/dbraw/zinc/82/06/50/1223820650.db2.gz ZBFIZHOXVHSAGD-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213598791 1223820685 /nfs/dbraw/zinc/82/06/85/1223820685.db2.gz NJVFIKKQFQPWCH-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213598791 1223820687 /nfs/dbraw/zinc/82/06/87/1223820687.db2.gz NJVFIKKQFQPWCH-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671645 1223830328 /nfs/dbraw/zinc/83/03/28/1223830328.db2.gz PJAGFHMNEUMYHO-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671645 1223830331 /nfs/dbraw/zinc/83/03/31/1223830331.db2.gz PJAGFHMNEUMYHO-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671645 1223830333 /nfs/dbraw/zinc/83/03/33/1223830333.db2.gz PJAGFHMNEUMYHO-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671645 1223830335 /nfs/dbraw/zinc/83/03/35/1223830335.db2.gz PJAGFHMNEUMYHO-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP Cc1noc(CN2C(=O)C[C@@]3(CCC[N@H+](CCn4cc[nH+]c4)C3)C2=O)n1 ZINC001276704175 1223831201 /nfs/dbraw/zinc/83/12/01/1223831201.db2.gz AYLYUTGCAZUPQX-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1noc(CN2C(=O)C[C@@]3(CCC[N@@H+](CCn4cc[nH+]c4)C3)C2=O)n1 ZINC001276704175 1223831205 /nfs/dbraw/zinc/83/12/05/1223831205.db2.gz AYLYUTGCAZUPQX-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213712887 1223837142 /nfs/dbraw/zinc/83/71/42/1223837142.db2.gz GDQBKAIXTWGUED-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213712887 1223837145 /nfs/dbraw/zinc/83/71/45/1223837145.db2.gz GDQBKAIXTWGUED-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747370 1223843053 /nfs/dbraw/zinc/84/30/53/1223843053.db2.gz HVCQISDBALWINV-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747370 1223843054 /nfs/dbraw/zinc/84/30/54/1223843054.db2.gz HVCQISDBALWINV-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213756313 1223844725 /nfs/dbraw/zinc/84/47/25/1223844725.db2.gz RKWRBAKNAGBFIA-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213756313 1223844728 /nfs/dbraw/zinc/84/47/28/1223844728.db2.gz RKWRBAKNAGBFIA-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213756313 1223844729 /nfs/dbraw/zinc/84/47/29/1223844729.db2.gz RKWRBAKNAGBFIA-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213756313 1223844730 /nfs/dbraw/zinc/84/47/30/1223844730.db2.gz RKWRBAKNAGBFIA-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213765078 1223846274 /nfs/dbraw/zinc/84/62/74/1223846274.db2.gz SQDFCAVOFWIWHP-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213765078 1223846276 /nfs/dbraw/zinc/84/62/76/1223846276.db2.gz SQDFCAVOFWIWHP-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213765078 1223846278 /nfs/dbraw/zinc/84/62/78/1223846278.db2.gz SQDFCAVOFWIWHP-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213765078 1223846280 /nfs/dbraw/zinc/84/62/80/1223846280.db2.gz SQDFCAVOFWIWHP-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802612 1223852892 /nfs/dbraw/zinc/85/28/92/1223852892.db2.gz ZDIBFJOORBARNG-BRWVUGGUSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802612 1223852893 /nfs/dbraw/zinc/85/28/93/1223852893.db2.gz ZDIBFJOORBARNG-BRWVUGGUSA-N 2 2 364.490 0.983 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213860084 1223862873 /nfs/dbraw/zinc/86/28/73/1223862873.db2.gz SAXMJZBGJIDHNG-FVQBIDKESA-N 2 2 365.478 0.312 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213860084 1223862875 /nfs/dbraw/zinc/86/28/75/1223862875.db2.gz SAXMJZBGJIDHNG-FVQBIDKESA-N 2 2 365.478 0.312 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863175 1223864047 /nfs/dbraw/zinc/86/40/47/1223864047.db2.gz GMXQYXLYSIHMAA-CGTJXYLNSA-N 2 2 369.506 0.197 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863175 1223864048 /nfs/dbraw/zinc/86/40/48/1223864048.db2.gz GMXQYXLYSIHMAA-CGTJXYLNSA-N 2 2 369.506 0.197 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925851 1223874523 /nfs/dbraw/zinc/87/45/23/1223874523.db2.gz SPYOZCKFPWYEID-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925851 1223874525 /nfs/dbraw/zinc/87/45/25/1223874525.db2.gz SPYOZCKFPWYEID-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925851 1223874527 /nfs/dbraw/zinc/87/45/27/1223874527.db2.gz SPYOZCKFPWYEID-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925851 1223874529 /nfs/dbraw/zinc/87/45/29/1223874529.db2.gz SPYOZCKFPWYEID-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979951 1223881028 /nfs/dbraw/zinc/88/10/28/1223881028.db2.gz RHMZZWDBLAMQID-BRWVUGGUSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979951 1223881030 /nfs/dbraw/zinc/88/10/30/1223881030.db2.gz RHMZZWDBLAMQID-BRWVUGGUSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979770 1223881122 /nfs/dbraw/zinc/88/11/22/1223881122.db2.gz ISRZBJOLKCPBEK-HZPDHXFCSA-N 2 2 361.450 0.161 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979770 1223881125 /nfs/dbraw/zinc/88/11/25/1223881125.db2.gz ISRZBJOLKCPBEK-HZPDHXFCSA-N 2 2 361.450 0.161 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214988397 1223961570 /nfs/dbraw/zinc/96/15/70/1223961570.db2.gz UPQDMDHBPQMZDZ-IJEWVQPXSA-N 2 2 361.490 0.797 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215006450 1223963371 /nfs/dbraw/zinc/96/33/71/1223963371.db2.gz WUFGXSZVAHVSEQ-FVQBIDKESA-N 2 2 359.474 0.408 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008736 1223963387 /nfs/dbraw/zinc/96/33/87/1223963387.db2.gz YVIOJUYOCCEKTC-BFYDXBDKSA-N 2 2 361.490 0.798 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C1)C2 ZINC001215005744 1223963527 /nfs/dbraw/zinc/96/35/27/1223963527.db2.gz GXQODTUTCNAUSB-BTJLNZGRSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C1)CC2 ZINC001215005744 1223963530 /nfs/dbraw/zinc/96/35/30/1223963530.db2.gz GXQODTUTCNAUSB-BTJLNZGRSA-N 2 2 359.474 0.538 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005946 1223963581 /nfs/dbraw/zinc/96/35/81/1223963581.db2.gz LZFMSNUKIQNOMP-DDUZABMNSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005946 1223963583 /nfs/dbraw/zinc/96/35/83/1223963583.db2.gz LZFMSNUKIQNOMP-DDUZABMNSA-N 2 2 364.490 0.923 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215006178 1223963717 /nfs/dbraw/zinc/96/37/17/1223963717.db2.gz UPNBESNLHAFSKS-CKEIUWERSA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215008423 1223963771 /nfs/dbraw/zinc/96/37/71/1223963771.db2.gz NOCXAWBTHPYWJY-FRFSOERESA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215200458 1223981769 /nfs/dbraw/zinc/98/17/69/1223981769.db2.gz WPZVCUJUBIRGFT-ZIAGYGMSSA-N 2 2 371.445 0.218 20 0 FCADLP 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/nfs/dbraw/zinc/79/13/53/1250791353.db2.gz VKMQPIDSFJZPNI-QMTMVMCOSA-N 2 2 359.474 0.791 20 0 FCADLP C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)CCC1 ZINC000995973179 1251105373 /nfs/dbraw/zinc/10/53/73/1251105373.db2.gz BHHAXDYHTNNVFJ-UGUYLWEFSA-N 2 2 364.490 0.049 20 0 FCADLP C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)CCC1 ZINC000995973179 1251105376 /nfs/dbraw/zinc/10/53/76/1251105376.db2.gz BHHAXDYHTNNVFJ-UGUYLWEFSA-N 2 2 364.490 0.049 20 0 FCADLP C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2)C1CCC1 ZINC000995977013 1251106705 /nfs/dbraw/zinc/10/67/05/1251106705.db2.gz NBVKKFFMBIVXKV-LTIDMASMSA-N 2 2 364.490 0.049 20 0 FCADLP C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2)C1CCC1 ZINC000995977013 1251106708 /nfs/dbraw/zinc/10/67/08/1251106708.db2.gz NBVKKFFMBIVXKV-LTIDMASMSA-N 2 2 364.490 0.049 20 0 FCADLP C[NH+](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2)C1CCC1 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CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)CC[N@H+]1C ZINC000997886712 1251738228 /nfs/dbraw/zinc/73/82/28/1251738228.db2.gz OKAPXKFTVJKKJV-HMDCTGQHSA-N 2 2 359.474 0.862 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC000998625055 1251929518 /nfs/dbraw/zinc/92/95/18/1251929518.db2.gz KVSFOTPKBRTNQL-JHNDHUHGSA-N 2 2 359.474 0.553 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC000998625055 1251929529 /nfs/dbraw/zinc/92/95/29/1251929529.db2.gz KVSFOTPKBRTNQL-JHNDHUHGSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998654104 1251940754 /nfs/dbraw/zinc/94/07/54/1251940754.db2.gz IFTWBDUYRUPFFQ-ORQFMDKSSA-N 2 2 371.485 0.932 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998654104 1251940761 /nfs/dbraw/zinc/94/07/61/1251940761.db2.gz IFTWBDUYRUPFFQ-ORQFMDKSSA-N 2 2 371.485 0.932 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC000999425252 1252113615 /nfs/dbraw/zinc/11/36/15/1252113615.db2.gz AEVFOIQTNZVUIG-UZVIJOLCSA-N 2 2 370.461 0.624 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3C[C@H]4[C@@H](C3)C4(F)F)CC2)CC1 ZINC001328916832 1265651570 /nfs/dbraw/zinc/65/15/70/1265651570.db2.gz XHIPAEUAWXKICM-GASCZTMLSA-N 2 2 370.444 0.385 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001002462026 1252564438 /nfs/dbraw/zinc/56/44/38/1252564438.db2.gz SFVVTDPYQUBIKA-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001002462026 1252564445 /nfs/dbraw/zinc/56/44/45/1252564445.db2.gz SFVVTDPYQUBIKA-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001002462026 1252564456 /nfs/dbraw/zinc/56/44/56/1252564456.db2.gz SFVVTDPYQUBIKA-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001002462026 1252564462 /nfs/dbraw/zinc/56/44/62/1252564462.db2.gz SFVVTDPYQUBIKA-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001002792594 1252675931 /nfs/dbraw/zinc/67/59/31/1252675931.db2.gz YBCLJUCPJUAYOY-JJXSEGSLSA-N 2 2 359.474 0.553 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001002792594 1252675939 /nfs/dbraw/zinc/67/59/39/1252675939.db2.gz YBCLJUCPJUAYOY-JJXSEGSLSA-N 2 2 359.474 0.553 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001002918255 1252737849 /nfs/dbraw/zinc/73/78/49/1252737849.db2.gz OBXQBQUXDSQZJO-HZPDHXFCSA-N 2 2 359.474 0.440 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329083003 1265689559 /nfs/dbraw/zinc/68/95/59/1265689559.db2.gz TYJKDACVZZQTIJ-INMHGKMJSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329083003 1265689563 /nfs/dbraw/zinc/68/95/63/1265689563.db2.gz TYJKDACVZZQTIJ-INMHGKMJSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(CCF)c3)C2)CC1 ZINC001329108558 1265695257 /nfs/dbraw/zinc/69/52/57/1265695257.db2.gz PUFWGDRGWRWVKK-ZDUSSCGKSA-N 2 2 366.441 0.076 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(CCF)c3)C2)CC1 ZINC001329108558 1265695261 /nfs/dbraw/zinc/69/52/61/1265695261.db2.gz PUFWGDRGWRWVKK-ZDUSSCGKSA-N 2 2 366.441 0.076 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004365167 1253302583 /nfs/dbraw/zinc/30/25/83/1253302583.db2.gz PKZAPUBPRYLUDJ-ABFRBSLYSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004365167 1253302592 /nfs/dbraw/zinc/30/25/92/1253302592.db2.gz PKZAPUBPRYLUDJ-ABFRBSLYSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C12CC[NH+](CC1)C2 ZINC001004392323 1253311985 /nfs/dbraw/zinc/31/19/85/1253311985.db2.gz CBIUVYCEXQBLQF-IETPZCKNSA-N 2 2 369.469 0.857 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C12CC[NH+](CC1)C2 ZINC001004392323 1253311994 /nfs/dbraw/zinc/31/19/94/1253311994.db2.gz CBIUVYCEXQBLQF-IETPZCKNSA-N 2 2 369.469 0.857 20 0 FCADLP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001005580431 1253583006 /nfs/dbraw/zinc/58/30/06/1253583006.db2.gz FQTKJSIRWVYCEV-RDTXWAMCSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001005580431 1253583007 /nfs/dbraw/zinc/58/30/07/1253583007.db2.gz FQTKJSIRWVYCEV-RDTXWAMCSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005581296 1253583348 /nfs/dbraw/zinc/58/33/48/1253583348.db2.gz LDUBWRKEVQABFB-RDTXWAMCSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005581296 1253583359 /nfs/dbraw/zinc/58/33/59/1253583359.db2.gz LDUBWRKEVQABFB-RDTXWAMCSA-N 2 2 361.490 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@@H+]1C ZINC001006185493 1253724658 /nfs/dbraw/zinc/72/46/58/1253724658.db2.gz SFDBDZGGCPDERW-YLQAJVPDSA-N 2 2 361.490 0.954 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@H+]1C ZINC001006185493 1253724666 /nfs/dbraw/zinc/72/46/66/1253724666.db2.gz SFDBDZGGCPDERW-YLQAJVPDSA-N 2 2 361.490 0.954 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001027583524 1253865189 /nfs/dbraw/zinc/86/51/89/1253865189.db2.gz YWWHAOWFCJSQHU-ARFHVFGLSA-N 2 2 357.462 0.738 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027583524 1253865198 /nfs/dbraw/zinc/86/51/98/1253865198.db2.gz YWWHAOWFCJSQHU-ARFHVFGLSA-N 2 2 357.462 0.738 20 0 FCADLP C[N@H+](CCN1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC001329579444 1265785950 /nfs/dbraw/zinc/78/59/50/1265785950.db2.gz LWEHAQRELJZVEJ-UHFFFAOYSA-N 3 2 359.518 0.168 20 0 FCADLP C[N@@H+](CCN1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC001329579444 1265785955 /nfs/dbraw/zinc/78/59/55/1265785955.db2.gz LWEHAQRELJZVEJ-UHFFFAOYSA-N 3 2 359.518 0.168 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033956461 1253973242 /nfs/dbraw/zinc/97/32/42/1253973242.db2.gz GGQDLTGRIJTNLD-ARFHVFGLSA-N 2 2 357.462 0.738 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033956461 1253973250 /nfs/dbraw/zinc/97/32/50/1253973250.db2.gz GGQDLTGRIJTNLD-ARFHVFGLSA-N 2 2 357.462 0.738 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1C ZINC001035053706 1254015352 /nfs/dbraw/zinc/01/53/52/1254015352.db2.gz IQJPMUJPUKGCJF-RBSFLKMASA-N 2 2 371.489 0.995 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035195435 1254018941 /nfs/dbraw/zinc/01/89/41/1254018941.db2.gz CBYKUBPXWONWLA-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035195435 1254018947 /nfs/dbraw/zinc/01/89/47/1254018947.db2.gz CBYKUBPXWONWLA-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001035459183 1254043711 /nfs/dbraw/zinc/04/37/11/1254043711.db2.gz HZFTXGOVGUNPPS-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001035459183 1254043717 /nfs/dbraw/zinc/04/37/17/1254043717.db2.gz HZFTXGOVGUNPPS-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001063730871 1254381698 /nfs/dbraw/zinc/38/16/98/1254381698.db2.gz BJUNJANUCDAQJG-HUUCEWRRSA-N 2 2 371.485 0.775 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001064581513 1254447833 /nfs/dbraw/zinc/44/78/33/1254447833.db2.gz RCJZCIXUBRJIRE-HUUCEWRRSA-N 2 2 370.457 0.884 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC001065712999 1254582482 /nfs/dbraw/zinc/58/24/82/1254582482.db2.gz JTUDUVFNCNMVHO-FGTMMUONSA-N 2 2 362.518 0.729 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)cc1=O ZINC001075620106 1254618338 /nfs/dbraw/zinc/61/83/38/1254618338.db2.gz ZKEZVTOCSBQXSR-CWRNSKLLSA-N 2 2 361.442 0.775 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)cc1=O ZINC001075620106 1254618352 /nfs/dbraw/zinc/61/83/52/1254618352.db2.gz ZKEZVTOCSBQXSR-CWRNSKLLSA-N 2 2 361.442 0.775 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1=O ZINC001075620106 1254618369 /nfs/dbraw/zinc/61/83/69/1254618369.db2.gz ZKEZVTOCSBQXSR-CWRNSKLLSA-N 2 2 361.442 0.775 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cc1=O ZINC001075620106 1254618391 /nfs/dbraw/zinc/61/83/91/1254618391.db2.gz ZKEZVTOCSBQXSR-CWRNSKLLSA-N 2 2 361.442 0.775 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)cc1=O ZINC001075620107 1254618490 /nfs/dbraw/zinc/61/84/90/1254618490.db2.gz ZKEZVTOCSBQXSR-NUEKZKHPSA-N 2 2 361.442 0.775 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)cc1=O ZINC001075620107 1254618500 /nfs/dbraw/zinc/61/85/00/1254618500.db2.gz ZKEZVTOCSBQXSR-NUEKZKHPSA-N 2 2 361.442 0.775 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1=O ZINC001075620107 1254618512 /nfs/dbraw/zinc/61/85/12/1254618512.db2.gz ZKEZVTOCSBQXSR-NUEKZKHPSA-N 2 2 361.442 0.775 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)cc1=O ZINC001075620107 1254618521 /nfs/dbraw/zinc/61/85/21/1254618521.db2.gz ZKEZVTOCSBQXSR-NUEKZKHPSA-N 2 2 361.442 0.775 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCC1 ZINC001075967679 1254659691 /nfs/dbraw/zinc/65/96/91/1254659691.db2.gz RPOGHIHNPABROP-YQQAZPJKSA-N 2 2 357.458 0.211 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCC1 ZINC001075967679 1254659706 /nfs/dbraw/zinc/65/97/06/1254659706.db2.gz RPOGHIHNPABROP-YQQAZPJKSA-N 2 2 357.458 0.211 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001075967088 1254661806 /nfs/dbraw/zinc/66/18/06/1254661806.db2.gz GRSWLFSLTDNVKG-RLFYNMQTSA-N 2 2 371.485 0.599 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001075967088 1254661819 /nfs/dbraw/zinc/66/18/19/1254661819.db2.gz GRSWLFSLTDNVKG-RLFYNMQTSA-N 2 2 371.485 0.599 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@H]1O)CC2 ZINC001077583958 1254735979 /nfs/dbraw/zinc/73/59/79/1254735979.db2.gz VQXWGGQBFTYZNU-BMGDILEWSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@H]1O)CC2 ZINC001077583958 1254735999 /nfs/dbraw/zinc/73/59/99/1254735999.db2.gz VQXWGGQBFTYZNU-BMGDILEWSA-N 2 2 362.474 0.484 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680697 1254866192 /nfs/dbraw/zinc/86/61/92/1254866192.db2.gz STOKYDZIZPKZFL-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680697 1254866196 /nfs/dbraw/zinc/86/61/96/1254866196.db2.gz STOKYDZIZPKZFL-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680697 1254866205 /nfs/dbraw/zinc/86/62/05/1254866205.db2.gz STOKYDZIZPKZFL-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680697 1254866212 /nfs/dbraw/zinc/86/62/12/1254866212.db2.gz STOKYDZIZPKZFL-GPMSIDNRSA-N 2 2 364.465 0.955 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680792 1254869955 /nfs/dbraw/zinc/86/99/55/1254869955.db2.gz WSIIPZXOMBEKSD-IIDMSEBBSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680792 1254869957 /nfs/dbraw/zinc/86/99/57/1254869957.db2.gz WSIIPZXOMBEKSD-IIDMSEBBSA-N 2 2 367.469 0.294 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1)OC ZINC001077685708 1254878897 /nfs/dbraw/zinc/87/88/97/1254878897.db2.gz ZZWXSJUGLISSJK-IAOVAPTHSA-N 2 2 366.462 0.470 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1)OC ZINC001077685708 1254878905 /nfs/dbraw/zinc/87/89/05/1254878905.db2.gz ZZWXSJUGLISSJK-IAOVAPTHSA-N 2 2 366.462 0.470 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001077765481 1254960965 /nfs/dbraw/zinc/96/09/65/1254960965.db2.gz PMLDRSJAOJKDLA-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001077765481 1254960970 /nfs/dbraw/zinc/96/09/70/1254960970.db2.gz PMLDRSJAOJKDLA-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077765338 1254961835 /nfs/dbraw/zinc/96/18/35/1254961835.db2.gz JZQQCOXYPYPATP-BZUAXINKSA-N 2 2 364.490 0.983 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077765338 1254961841 /nfs/dbraw/zinc/96/18/41/1254961841.db2.gz JZQQCOXYPYPATP-BZUAXINKSA-N 2 2 364.490 0.983 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777245 1254979786 /nfs/dbraw/zinc/97/97/86/1254979786.db2.gz CZGQGKMVOLDSIC-GVDBMIGSSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777245 1254979795 /nfs/dbraw/zinc/97/97/95/1254979795.db2.gz CZGQGKMVOLDSIC-GVDBMIGSSA-N 2 2 366.506 0.035 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077779378 1254980420 /nfs/dbraw/zinc/98/04/20/1254980420.db2.gz KHFMUTLJSCSTCK-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077779378 1254980426 /nfs/dbraw/zinc/98/04/26/1254980426.db2.gz KHFMUTLJSCSTCK-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078008339 1255164632 /nfs/dbraw/zinc/16/46/32/1255164632.db2.gz DWPUUJCHNMQOAR-QZTJIDSGSA-N 2 2 358.442 0.471 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078008339 1255164635 /nfs/dbraw/zinc/16/46/35/1255164635.db2.gz DWPUUJCHNMQOAR-QZTJIDSGSA-N 2 2 358.442 0.471 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001078008742 1255166058 /nfs/dbraw/zinc/16/60/58/1255166058.db2.gz VBKOPWJTPZPVGB-QZTJIDSGSA-N 2 2 365.437 0.872 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001078008742 1255166062 /nfs/dbraw/zinc/16/60/62/1255166062.db2.gz VBKOPWJTPZPVGB-QZTJIDSGSA-N 2 2 365.437 0.872 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018205 1255175635 /nfs/dbraw/zinc/17/56/35/1255175635.db2.gz SKOJPYXSQKBVHV-FRFSOERESA-N 2 2 362.474 0.738 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018205 1255175640 /nfs/dbraw/zinc/17/56/40/1255175640.db2.gz SKOJPYXSQKBVHV-FRFSOERESA-N 2 2 362.474 0.738 20 0 FCADLP Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCO2)cn1 ZINC001078413752 1255410800 /nfs/dbraw/zinc/41/08/00/1255410800.db2.gz XXBDWECFDZHAPT-ARFHVFGLSA-N 2 2 358.446 0.654 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001078530107 1255427674 /nfs/dbraw/zinc/42/76/74/1255427674.db2.gz BFMBZFHVIDDMAJ-NWANDNLSSA-N 2 2 358.446 0.740 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079129680 1255443808 /nfs/dbraw/zinc/44/38/08/1255443808.db2.gz AGXRYQQSFSFJOD-QRVBRYPASA-N 2 2 361.486 0.799 20 0 FCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079129680 1255443813 /nfs/dbraw/zinc/44/38/13/1255443813.db2.gz AGXRYQQSFSFJOD-QRVBRYPASA-N 2 2 361.486 0.799 20 0 FCADLP CC(C)[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079129680 1255443815 /nfs/dbraw/zinc/44/38/15/1255443815.db2.gz AGXRYQQSFSFJOD-QRVBRYPASA-N 2 2 361.486 0.799 20 0 FCADLP CC(C)[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079129680 1255443820 /nfs/dbraw/zinc/44/38/20/1255443820.db2.gz AGXRYQQSFSFJOD-QRVBRYPASA-N 2 2 361.486 0.799 20 0 FCADLP CC(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231482 1255479699 /nfs/dbraw/zinc/47/96/99/1255479699.db2.gz MOTMDNRJNUZSEJ-RCCFBDPRSA-N 2 2 365.518 0.912 20 0 FCADLP CC(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231482 1255479703 /nfs/dbraw/zinc/47/97/03/1255479703.db2.gz MOTMDNRJNUZSEJ-RCCFBDPRSA-N 2 2 365.518 0.912 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CC4CC4)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231712 1255480549 /nfs/dbraw/zinc/48/05/49/1255480549.db2.gz YFJFNYXTSHQTOA-RCCFBDPRSA-N 2 2 363.502 0.666 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CC4CC4)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231712 1255480555 /nfs/dbraw/zinc/48/05/55/1255480555.db2.gz YFJFNYXTSHQTOA-RCCFBDPRSA-N 2 2 363.502 0.666 20 0 FCADLP CO[C@H](C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263255 1255493341 /nfs/dbraw/zinc/49/33/41/1255493341.db2.gz QGLBFJJZGKBUMQ-HYVNUMGLSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528143 1255535526 /nfs/dbraw/zinc/53/55/26/1255535526.db2.gz WCFSKBRYUQTUAK-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528143 1255535533 /nfs/dbraw/zinc/53/55/33/1255535533.db2.gz WCFSKBRYUQTUAK-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079528143 1255535536 /nfs/dbraw/zinc/53/55/36/1255535536.db2.gz WCFSKBRYUQTUAK-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079528143 1255535541 /nfs/dbraw/zinc/53/55/41/1255535541.db2.gz WCFSKBRYUQTUAK-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739974 1255589865 /nfs/dbraw/zinc/58/98/65/1255589865.db2.gz QXRGDTLFWSTXKE-IIAWOOMASA-N 2 2 361.490 0.675 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739974 1255589868 /nfs/dbraw/zinc/58/98/68/1255589868.db2.gz QXRGDTLFWSTXKE-IIAWOOMASA-N 2 2 361.490 0.675 20 0 FCADLP CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001080018383 1255710532 /nfs/dbraw/zinc/71/05/32/1255710532.db2.gz SWUGGZOCXCUEEL-BZUAXINKSA-N 2 2 361.490 0.923 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144765 1255759252 /nfs/dbraw/zinc/75/92/52/1255759252.db2.gz REXQOGANGZEXPF-UNEWFSDZSA-N 2 2 359.474 0.429 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144765 1255759257 /nfs/dbraw/zinc/75/92/57/1255759257.db2.gz REXQOGANGZEXPF-UNEWFSDZSA-N 2 2 359.474 0.429 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255484 1255809775 /nfs/dbraw/zinc/80/97/75/1255809775.db2.gz ZGDODYWABGQUMG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080255484 1255809792 /nfs/dbraw/zinc/80/97/92/1255809792.db2.gz ZGDODYWABGQUMG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318186 1255837459 /nfs/dbraw/zinc/83/74/59/1255837459.db2.gz JDCUAJQLDSDPMQ-OIISXLGYSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318186 1255837468 /nfs/dbraw/zinc/83/74/68/1255837468.db2.gz JDCUAJQLDSDPMQ-OIISXLGYSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318186 1255837480 /nfs/dbraw/zinc/83/74/80/1255837480.db2.gz JDCUAJQLDSDPMQ-OIISXLGYSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318186 1255837490 /nfs/dbraw/zinc/83/74/90/1255837490.db2.gz JDCUAJQLDSDPMQ-OIISXLGYSA-N 2 2 366.506 0.153 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)ncn1 ZINC001080324822 1255841778 /nfs/dbraw/zinc/84/17/78/1255841778.db2.gz DZOJUBXKFSCATE-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)ncn1 ZINC001080324822 1255841783 /nfs/dbraw/zinc/84/17/83/1255841783.db2.gz DZOJUBXKFSCATE-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)ncn1 ZINC001080324822 1255841790 /nfs/dbraw/zinc/84/17/90/1255841790.db2.gz DZOJUBXKFSCATE-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)ncn1 ZINC001080324822 1255841798 /nfs/dbraw/zinc/84/17/98/1255841798.db2.gz DZOJUBXKFSCATE-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC3CC3)C[C@H]1C)CC2 ZINC001080341982 1255855086 /nfs/dbraw/zinc/85/50/86/1255855086.db2.gz CJUKLSXTYGQLOJ-HACGYAERSA-N 2 2 359.474 0.469 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC3CC3)C[C@H]1C)CC2 ZINC001080341982 1255855095 /nfs/dbraw/zinc/85/50/95/1255855095.db2.gz CJUKLSXTYGQLOJ-HACGYAERSA-N 2 2 359.474 0.469 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001080715989 1256000582 /nfs/dbraw/zinc/00/05/82/1256000582.db2.gz SSLNGMDYWRBWRK-RHSMWYFYSA-N 2 2 366.429 0.609 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001080715989 1256000584 /nfs/dbraw/zinc/00/05/84/1256000584.db2.gz SSLNGMDYWRBWRK-RHSMWYFYSA-N 2 2 366.429 0.609 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783669 1256035831 /nfs/dbraw/zinc/03/58/31/1256035831.db2.gz ZXAFLJZZMUBOQB-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783669 1256035841 /nfs/dbraw/zinc/03/58/41/1256035841.db2.gz ZXAFLJZZMUBOQB-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1=O ZINC001080783474 1256036132 /nfs/dbraw/zinc/03/61/32/1256036132.db2.gz SXMJBSVSDZNWLW-IJEWVQPXSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1=O ZINC001080783474 1256036140 /nfs/dbraw/zinc/03/61/40/1256036140.db2.gz SXMJBSVSDZNWLW-IJEWVQPXSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001080783474 1256036144 /nfs/dbraw/zinc/03/61/44/1256036144.db2.gz SXMJBSVSDZNWLW-IJEWVQPXSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001080783474 1256036155 /nfs/dbraw/zinc/03/61/55/1256036155.db2.gz SXMJBSVSDZNWLW-IJEWVQPXSA-N 2 2 363.458 0.927 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782595 1256036433 /nfs/dbraw/zinc/03/64/33/1256036433.db2.gz SEZSELTZITXBAF-FVQBIDKESA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782595 1256036442 /nfs/dbraw/zinc/03/64/42/1256036442.db2.gz SEZSELTZITXBAF-FVQBIDKESA-N 2 2 361.490 0.799 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979301 1256123727 /nfs/dbraw/zinc/12/37/27/1256123727.db2.gz JNUPDQISSACZIN-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979301 1256123730 /nfs/dbraw/zinc/12/37/30/1256123730.db2.gz JNUPDQISSACZIN-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979301 1256123733 /nfs/dbraw/zinc/12/37/33/1256123733.db2.gz JNUPDQISSACZIN-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979301 1256123741 /nfs/dbraw/zinc/12/37/41/1256123741.db2.gz JNUPDQISSACZIN-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@H]2C)C1 ZINC001080979443 1256123924 /nfs/dbraw/zinc/12/39/24/1256123924.db2.gz PKGJLZBGLJMXFD-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@H]2C)C1 ZINC001080979443 1256123927 /nfs/dbraw/zinc/12/39/27/1256123927.db2.gz PKGJLZBGLJMXFD-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]2C)C1 ZINC001080979443 1256123938 /nfs/dbraw/zinc/12/39/38/1256123938.db2.gz PKGJLZBGLJMXFD-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@H]2C)C1 ZINC001080979443 1256123941 /nfs/dbraw/zinc/12/39/41/1256123941.db2.gz PKGJLZBGLJMXFD-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081177818 1256200337 /nfs/dbraw/zinc/20/03/37/1256200337.db2.gz DATLESSAFOPANH-YQQAZPJKSA-N 2 2 367.453 0.899 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2ccccc2)nn1 ZINC001081233373 1256213082 /nfs/dbraw/zinc/21/30/82/1256213082.db2.gz ATRXKLVLXSWSCJ-ZWKOTPCHSA-N 2 2 365.441 0.796 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481662 1256270382 /nfs/dbraw/zinc/27/03/82/1256270382.db2.gz QPOAXSMAUASHJV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481662 1256270390 /nfs/dbraw/zinc/27/03/90/1256270390.db2.gz QPOAXSMAUASHJV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481662 1256270395 /nfs/dbraw/zinc/27/03/95/1256270395.db2.gz QPOAXSMAUASHJV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481662 1256270398 /nfs/dbraw/zinc/27/03/98/1256270398.db2.gz QPOAXSMAUASHJV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481709 1256271169 /nfs/dbraw/zinc/27/11/69/1256271169.db2.gz SGUXTGPQPKXSDR-QRVBRYPASA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481709 1256271172 /nfs/dbraw/zinc/27/11/72/1256271172.db2.gz SGUXTGPQPKXSDR-QRVBRYPASA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481709 1256271178 /nfs/dbraw/zinc/27/11/78/1256271178.db2.gz SGUXTGPQPKXSDR-QRVBRYPASA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481709 1256271181 /nfs/dbraw/zinc/27/11/81/1256271181.db2.gz SGUXTGPQPKXSDR-QRVBRYPASA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481675 1256271587 /nfs/dbraw/zinc/27/15/87/1256271587.db2.gz RFIGFRIXWYIDJH-KZNAEPCWSA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481675 1256271594 /nfs/dbraw/zinc/27/15/94/1256271594.db2.gz RFIGFRIXWYIDJH-KZNAEPCWSA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481675 1256271601 /nfs/dbraw/zinc/27/16/01/1256271601.db2.gz RFIGFRIXWYIDJH-KZNAEPCWSA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481675 1256271610 /nfs/dbraw/zinc/27/16/10/1256271610.db2.gz RFIGFRIXWYIDJH-KZNAEPCWSA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481506 1256271810 /nfs/dbraw/zinc/27/18/10/1256271810.db2.gz KXIJEKPUCICQKJ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481506 1256271815 /nfs/dbraw/zinc/27/18/15/1256271815.db2.gz KXIJEKPUCICQKJ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481506 1256271820 /nfs/dbraw/zinc/27/18/20/1256271820.db2.gz KXIJEKPUCICQKJ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481506 1256271823 /nfs/dbraw/zinc/27/18/23/1256271823.db2.gz KXIJEKPUCICQKJ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081662073 1256324474 /nfs/dbraw/zinc/32/44/74/1256324474.db2.gz MFTIGIHDYRJRKC-BZUAXINKSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081662073 1256324477 /nfs/dbraw/zinc/32/44/77/1256324477.db2.gz MFTIGIHDYRJRKC-BZUAXINKSA-N 2 2 366.506 0.345 20 0 FCADLP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCC(c2c[nH+]cn2C)CC1 ZINC001520901095 1266032595 /nfs/dbraw/zinc/03/25/95/1266032595.db2.gz OIYNUPLBFRYKLL-CYBMUJFWSA-N 2 2 359.434 0.901 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081788181 1256368359 /nfs/dbraw/zinc/36/83/59/1256368359.db2.gz IDAKCPXHCLYVGS-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081788181 1256368367 /nfs/dbraw/zinc/36/83/67/1256368367.db2.gz IDAKCPXHCLYVGS-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081788181 1256368374 /nfs/dbraw/zinc/36/83/74/1256368374.db2.gz IDAKCPXHCLYVGS-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081788181 1256368385 /nfs/dbraw/zinc/36/83/85/1256368385.db2.gz IDAKCPXHCLYVGS-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081946972 1256466618 /nfs/dbraw/zinc/46/66/18/1256466618.db2.gz CKLQSKAYVFPVGO-IAGOWNOFSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081946972 1256466622 /nfs/dbraw/zinc/46/66/22/1256466622.db2.gz CKLQSKAYVFPVGO-IAGOWNOFSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948430 1256468652 /nfs/dbraw/zinc/46/86/52/1256468652.db2.gz YWIXZUHYQHQETF-IAGOWNOFSA-N 2 2 354.414 0.697 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948430 1256468658 /nfs/dbraw/zinc/46/86/58/1256468658.db2.gz YWIXZUHYQHQETF-IAGOWNOFSA-N 2 2 354.414 0.697 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053140 1256513134 /nfs/dbraw/zinc/51/31/34/1256513134.db2.gz ZXVRZKXMEWMEEN-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053140 1256513138 /nfs/dbraw/zinc/51/31/38/1256513138.db2.gz ZXVRZKXMEWMEEN-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053140 1256513145 /nfs/dbraw/zinc/51/31/45/1256513145.db2.gz ZXVRZKXMEWMEEN-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053140 1256513148 /nfs/dbraw/zinc/51/31/48/1256513148.db2.gz ZXVRZKXMEWMEEN-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082063813 1256516789 /nfs/dbraw/zinc/51/67/89/1256516789.db2.gz HVVYZLSFJDIKPU-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082063813 1256516795 /nfs/dbraw/zinc/51/67/95/1256516795.db2.gz HVVYZLSFJDIKPU-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082063813 1256516802 /nfs/dbraw/zinc/51/68/02/1256516802.db2.gz HVVYZLSFJDIKPU-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082063813 1256516810 /nfs/dbraw/zinc/51/68/10/1256516810.db2.gz HVVYZLSFJDIKPU-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138242 1256555876 /nfs/dbraw/zinc/55/58/76/1256555876.db2.gz VHBQNHSZHWFZKQ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138242 1256555879 /nfs/dbraw/zinc/55/58/79/1256555879.db2.gz VHBQNHSZHWFZKQ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138242 1256555882 /nfs/dbraw/zinc/55/58/82/1256555882.db2.gz VHBQNHSZHWFZKQ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138242 1256555887 /nfs/dbraw/zinc/55/58/87/1256555887.db2.gz VHBQNHSZHWFZKQ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001082296623 1256640239 /nfs/dbraw/zinc/64/02/39/1256640239.db2.gz BBLPIWSTZKCXEM-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP 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CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368442 1256717099 /nfs/dbraw/zinc/71/70/99/1256717099.db2.gz BORDDFYUIQXPRC-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368442 1256717102 /nfs/dbraw/zinc/71/71/02/1256717102.db2.gz BORDDFYUIQXPRC-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368442 1256717104 /nfs/dbraw/zinc/71/71/04/1256717104.db2.gz BORDDFYUIQXPRC-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368442 1256717108 /nfs/dbraw/zinc/71/71/08/1256717108.db2.gz BORDDFYUIQXPRC-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372061 1256722692 /nfs/dbraw/zinc/72/26/92/1256722692.db2.gz QRMVZARFZKXHFY-BZUAXINKSA-N 2 2 363.462 0.016 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372061 1256722698 /nfs/dbraw/zinc/72/26/98/1256722698.db2.gz QRMVZARFZKXHFY-BZUAXINKSA-N 2 2 363.462 0.016 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001082384416 1256736157 /nfs/dbraw/zinc/73/61/57/1256736157.db2.gz VJHLDRKVYQMCGL-IXDOHACOSA-N 2 2 360.458 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001082384416 1256736159 /nfs/dbraw/zinc/73/61/59/1256736159.db2.gz VJHLDRKVYQMCGL-IXDOHACOSA-N 2 2 360.458 0.066 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082525145 1256807944 /nfs/dbraw/zinc/80/79/44/1256807944.db2.gz AICHOMICWWAXMX-FVQBIDKESA-N 2 2 359.474 0.477 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082544735 1256835432 /nfs/dbraw/zinc/83/54/32/1256835432.db2.gz PBEOJOUZRWZIDS-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082544735 1256835444 /nfs/dbraw/zinc/83/54/44/1256835444.db2.gz PBEOJOUZRWZIDS-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)o1 ZINC001082558321 1256857432 /nfs/dbraw/zinc/85/74/32/1256857432.db2.gz KQZLCDZJRVEZOZ-FVQBIDKESA-N 2 2 360.462 0.746 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001082559367 1256857671 /nfs/dbraw/zinc/85/76/71/1256857671.db2.gz CIVMVRDNSWXWNV-SUYBPPKGSA-N 2 2 365.478 0.535 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)c[nH+]1 ZINC001082585741 1256901003 /nfs/dbraw/zinc/90/10/03/1256901003.db2.gz FDQZMOHQXQMZIL-GDBMZVCRSA-N 2 2 361.490 0.986 20 0 FCADLP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C)C1=O ZINC001082588890 1256902658 /nfs/dbraw/zinc/90/26/58/1256902658.db2.gz VPTXAJDUYYRKKO-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001082590662 1256903652 /nfs/dbraw/zinc/90/36/52/1256903652.db2.gz INMKVIGOEGPNOA-VNQPRFMTSA-N 2 2 360.458 0.690 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001082590661 1256903729 /nfs/dbraw/zinc/90/37/29/1256903729.db2.gz INMKVIGOEGPNOA-FVQBIDKESA-N 2 2 360.458 0.690 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001082603089 1256914011 /nfs/dbraw/zinc/91/40/11/1256914011.db2.gz ISSZUFQLNUOXHJ-IJEWVQPXSA-N 2 2 357.462 0.694 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082603722 1256914959 /nfs/dbraw/zinc/91/49/59/1256914959.db2.gz OGQYLPMEHLLSEX-DJIMGWMZSA-N 2 2 369.469 0.781 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001082604284 1256915302 /nfs/dbraw/zinc/91/53/02/1256915302.db2.gz KIPNVINGZLTBDR-MZMPZRCHSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082617523 1256928949 /nfs/dbraw/zinc/92/89/49/1256928949.db2.gz ZOJIKKSKJPTRSL-ZIAGYGMSSA-N 2 2 362.478 0.701 20 0 FCADLP CCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001082620087 1256931914 /nfs/dbraw/zinc/93/19/14/1256931914.db2.gz UWWXJYGEHIVEKD-CZUORRHYSA-N 2 2 368.445 0.981 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082637147 1256944291 /nfs/dbraw/zinc/94/42/91/1256944291.db2.gz OBTPBUULNIYVFM-CXAGYDPISA-N 2 2 366.429 0.646 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082673740 1256972620 /nfs/dbraw/zinc/97/26/20/1256972620.db2.gz KYKYPGRBDNMWIP-VNHYZAJKSA-N 2 2 358.450 0.792 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001082673880 1256972951 /nfs/dbraw/zinc/97/29/51/1256972951.db2.gz UMZQRONZMCKQQS-DJIMGWMZSA-N 2 2 359.474 0.863 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)nn1C ZINC001082703249 1256994122 /nfs/dbraw/zinc/99/41/22/1256994122.db2.gz GSHJMWXTJSNYDC-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)nn1C ZINC001082703249 1256994126 /nfs/dbraw/zinc/99/41/26/1256994126.db2.gz GSHJMWXTJSNYDC-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703108 1256994274 /nfs/dbraw/zinc/99/42/74/1256994274.db2.gz YFTCTXIWSUHRAM-BZUAXINKSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703108 1256994279 /nfs/dbraw/zinc/99/42/79/1256994279.db2.gz YFTCTXIWSUHRAM-BZUAXINKSA-N 2 2 364.494 0.344 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3nncn3C)C1)CC2 ZINC001082708571 1257002035 /nfs/dbraw/zinc/00/20/35/1257002035.db2.gz AYUOGVVWMDLFIP-IVMMDQJWSA-N 2 2 357.462 0.519 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001082709711 1257002312 /nfs/dbraw/zinc/00/23/12/1257002312.db2.gz LQQUXUSBXSXPMS-YRGRVCCFSA-N 2 2 361.450 0.676 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082774268 1257044590 /nfs/dbraw/zinc/04/45/90/1257044590.db2.gz LFGGERBPJKCZFM-CHWSQXEVSA-N 2 2 361.450 0.065 20 0 FCADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C)[C@H]([NH2+]CCn4cncn4)C3)[nH+]c12 ZINC001082806395 1257065369 /nfs/dbraw/zinc/06/53/69/1257065369.db2.gz CMMZTHFONYVSML-NVXWUHKLSA-N 2 2 367.457 0.913 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082827005 1257083645 /nfs/dbraw/zinc/08/36/45/1257083645.db2.gz XCPVXORTYYYVGP-CZUORRHYSA-N 2 2 366.429 0.646 20 0 FCADLP Cc1nc([C@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)no1 ZINC001082828739 1257085575 /nfs/dbraw/zinc/08/55/75/1257085575.db2.gz CRBZCWVKCHLABJ-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP NC(=O)C1CCN(C(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001330750500 1266088804 /nfs/dbraw/zinc/08/88/04/1266088804.db2.gz WESHSCKADQBNED-QGZVFWFLSA-N 2 2 355.442 0.938 20 0 FCADLP C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082853544 1257105653 /nfs/dbraw/zinc/10/56/53/1257105653.db2.gz FYUCWBGHCISDHQ-OGWOLHLISA-N 2 2 371.489 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082864408 1257114906 /nfs/dbraw/zinc/11/49/06/1257114906.db2.gz KNUXBDWGVPGMBO-IUODEOHRSA-N 2 2 370.461 0.719 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)n1C ZINC001082893032 1257128463 /nfs/dbraw/zinc/12/84/63/1257128463.db2.gz HBWBKWUNAAZLRG-UKRRQHHQSA-N 2 2 359.478 0.680 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001082892546 1257129043 /nfs/dbraw/zinc/12/90/43/1257129043.db2.gz GODJCSVNHHBUAC-DJIMGWMZSA-N 2 2 361.490 0.799 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001082922404 1257146286 /nfs/dbraw/zinc/14/62/86/1257146286.db2.gz BBLPTSNGUNRIMH-MBNYWOFBSA-N 2 2 362.434 0.919 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082934478 1257154955 /nfs/dbraw/zinc/15/49/55/1257154955.db2.gz MYQUKKJSOIZHAZ-ZTFGCOKTSA-N 2 2 361.490 0.467 20 0 FCADLP Cc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@H]3C2)cc1 ZINC001083034522 1257227195 /nfs/dbraw/zinc/22/71/95/1257227195.db2.gz FNLJDCQCSDYKLS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@H]3C2)cc1 ZINC001083034522 1257227199 /nfs/dbraw/zinc/22/71/99/1257227199.db2.gz FNLJDCQCSDYKLS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@H]3C2)cc1 ZINC001083034522 1257227200 /nfs/dbraw/zinc/22/72/00/1257227200.db2.gz FNLJDCQCSDYKLS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@H]3C2)cc1 ZINC001083034522 1257227204 /nfs/dbraw/zinc/22/72/04/1257227204.db2.gz FNLJDCQCSDYKLS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001330830875 1266105314 /nfs/dbraw/zinc/10/53/14/1266105314.db2.gz HFKPOKUMNWXRPB-DLBZAZTESA-N 2 2 358.486 0.960 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1)C1CC1 ZINC001083105925 1257322070 /nfs/dbraw/zinc/32/20/70/1257322070.db2.gz AMQGUZRWCKPJGK-DLBZAZTESA-N 2 2 364.490 0.003 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1)C1CC1 ZINC001083105925 1257322078 /nfs/dbraw/zinc/32/20/78/1257322078.db2.gz AMQGUZRWCKPJGK-DLBZAZTESA-N 2 2 364.490 0.003 20 0 FCADLP CN(C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1)C1CC1 ZINC001083105925 1257322088 /nfs/dbraw/zinc/32/20/88/1257322088.db2.gz AMQGUZRWCKPJGK-DLBZAZTESA-N 2 2 364.490 0.003 20 0 FCADLP CN(C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1)C1CC1 ZINC001083105925 1257322096 /nfs/dbraw/zinc/32/20/96/1257322096.db2.gz AMQGUZRWCKPJGK-DLBZAZTESA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)O1 ZINC001083119536 1257351925 /nfs/dbraw/zinc/35/19/25/1257351925.db2.gz YPWDRWYPAFCZCE-QXCFHYIPSA-N 2 2 359.470 0.817 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)O1 ZINC001083119536 1257351934 /nfs/dbraw/zinc/35/19/34/1257351934.db2.gz YPWDRWYPAFCZCE-QXCFHYIPSA-N 2 2 359.470 0.817 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)O1 ZINC001083119536 1257351942 /nfs/dbraw/zinc/35/19/42/1257351942.db2.gz YPWDRWYPAFCZCE-QXCFHYIPSA-N 2 2 359.470 0.817 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)O1 ZINC001083119536 1257351948 /nfs/dbraw/zinc/35/19/48/1257351948.db2.gz YPWDRWYPAFCZCE-QXCFHYIPSA-N 2 2 359.470 0.817 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155404 1257411739 /nfs/dbraw/zinc/41/17/39/1257411739.db2.gz SLGLKKYVCWXJHW-FHLIZLRMSA-N 2 2 356.426 0.778 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155404 1257411741 /nfs/dbraw/zinc/41/17/41/1257411741.db2.gz SLGLKKYVCWXJHW-FHLIZLRMSA-N 2 2 356.426 0.778 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001521342331 1266113762 /nfs/dbraw/zinc/11/37/62/1266113762.db2.gz FYYPASUKPTWLAJ-RDJZCZTQSA-N 2 2 351.495 0.987 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@@H]1CN(C)CC[N@H+]1C ZINC001521342331 1266113766 /nfs/dbraw/zinc/11/37/66/1266113766.db2.gz FYYPASUKPTWLAJ-RDJZCZTQSA-N 2 2 351.495 0.987 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001521342604 1266113959 /nfs/dbraw/zinc/11/39/59/1266113959.db2.gz LZIQEQRDFLEKEV-RCCFBDPRSA-N 2 2 369.554 0.763 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001521342604 1266113961 /nfs/dbraw/zinc/11/39/61/1266113961.db2.gz LZIQEQRDFLEKEV-RCCFBDPRSA-N 2 2 369.554 0.763 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)c1 ZINC001083645563 1257464069 /nfs/dbraw/zinc/46/40/69/1257464069.db2.gz HDVOFPJUIIPPOP-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)c1 ZINC001083645563 1257464072 /nfs/dbraw/zinc/46/40/72/1257464072.db2.gz HDVOFPJUIIPPOP-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@@H]1O)CC2 ZINC001083731547 1257468292 /nfs/dbraw/zinc/46/82/92/1257468292.db2.gz DJNSPFURRFXGCN-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@@H]1O)CC2 ZINC001083731547 1257468296 /nfs/dbraw/zinc/46/82/96/1257468296.db2.gz DJNSPFURRFXGCN-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778145 1257519411 /nfs/dbraw/zinc/51/94/11/1257519411.db2.gz CLCYPXNMLFSMBW-VUCTXSBTSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778145 1257519415 /nfs/dbraw/zinc/51/94/15/1257519415.db2.gz CLCYPXNMLFSMBW-VUCTXSBTSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778145 1257519419 /nfs/dbraw/zinc/51/94/19/1257519419.db2.gz CLCYPXNMLFSMBW-VUCTXSBTSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778145 1257519424 /nfs/dbraw/zinc/51/94/24/1257519424.db2.gz CLCYPXNMLFSMBW-VUCTXSBTSA-N 2 2 359.430 0.368 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781750 1257525535 /nfs/dbraw/zinc/52/55/35/1257525535.db2.gz UOXZYAMCSWOTHH-VKJFTORMSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781750 1257525541 /nfs/dbraw/zinc/52/55/41/1257525541.db2.gz UOXZYAMCSWOTHH-VKJFTORMSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781750 1257525544 /nfs/dbraw/zinc/52/55/44/1257525544.db2.gz UOXZYAMCSWOTHH-VKJFTORMSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H](O)C2)cn1 ZINC001083781750 1257525551 /nfs/dbraw/zinc/52/55/51/1257525551.db2.gz UOXZYAMCSWOTHH-VKJFTORMSA-N 2 2 367.469 0.294 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)o1 ZINC001083961702 1257753761 /nfs/dbraw/zinc/75/37/61/1257753761.db2.gz GCHFHHGDRSEKER-ZBFHGGJFSA-N 2 2 359.430 0.728 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)o1 ZINC001083961702 1257753764 /nfs/dbraw/zinc/75/37/64/1257753764.db2.gz GCHFHHGDRSEKER-ZBFHGGJFSA-N 2 2 359.430 0.728 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001084059397 1257875031 /nfs/dbraw/zinc/87/50/31/1257875031.db2.gz HAJMVVNSEXCQEK-SJORKVTESA-N 2 2 362.405 0.184 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001084059397 1257875041 /nfs/dbraw/zinc/87/50/41/1257875041.db2.gz HAJMVVNSEXCQEK-SJORKVTESA-N 2 2 362.405 0.184 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1C ZINC001084059547 1257876405 /nfs/dbraw/zinc/87/64/05/1257876405.db2.gz NLYGQNRYKRAUTI-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1C ZINC001084059547 1257876417 /nfs/dbraw/zinc/87/64/17/1257876417.db2.gz NLYGQNRYKRAUTI-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001084059403 1257876633 /nfs/dbraw/zinc/87/66/33/1257876633.db2.gz HOHLILUULBDXTC-CVEARBPZSA-N 2 2 356.386 0.089 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001084059403 1257876645 /nfs/dbraw/zinc/87/66/45/1257876645.db2.gz HOHLILUULBDXTC-CVEARBPZSA-N 2 2 356.386 0.089 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078137 1257904324 /nfs/dbraw/zinc/90/43/24/1257904324.db2.gz OCEKMELJHOQPGB-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078137 1257904327 /nfs/dbraw/zinc/90/43/27/1257904327.db2.gz OCEKMELJHOQPGB-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078137 1257904330 /nfs/dbraw/zinc/90/43/30/1257904330.db2.gz OCEKMELJHOQPGB-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078137 1257904334 /nfs/dbraw/zinc/90/43/34/1257904334.db2.gz OCEKMELJHOQPGB-SQNIBIBYSA-N 2 2 365.449 0.250 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091682 1257915381 /nfs/dbraw/zinc/91/53/81/1257915381.db2.gz KEDHYCWLOKDNJN-SQNIBIBYSA-N 2 2 363.506 0.536 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091682 1257915385 /nfs/dbraw/zinc/91/53/85/1257915385.db2.gz KEDHYCWLOKDNJN-SQNIBIBYSA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091682 1257915392 /nfs/dbraw/zinc/91/53/92/1257915392.db2.gz KEDHYCWLOKDNJN-SQNIBIBYSA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@@H]1O ZINC001084091682 1257915400 /nfs/dbraw/zinc/91/54/00/1257915400.db2.gz KEDHYCWLOKDNJN-SQNIBIBYSA-N 2 2 363.506 0.536 20 0 FCADLP COc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116591 1257935994 /nfs/dbraw/zinc/93/59/94/1257935994.db2.gz XRNRVJUESDFNSJ-SJORKVTESA-N 2 2 358.442 0.686 20 0 FCADLP COc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116591 1257936000 /nfs/dbraw/zinc/93/60/00/1257936000.db2.gz XRNRVJUESDFNSJ-SJORKVTESA-N 2 2 358.442 0.686 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC001331118381 1266150242 /nfs/dbraw/zinc/15/02/42/1266150242.db2.gz HSGWMMNHGHPXKK-VQHPVUNQSA-N 2 2 366.506 0.380 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084311759 1258015807 /nfs/dbraw/zinc/01/58/07/1258015807.db2.gz XABXUDDWYZSTTQ-RBSFLKMASA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084311759 1258015816 /nfs/dbraw/zinc/01/58/16/1258015816.db2.gz XABXUDDWYZSTTQ-RBSFLKMASA-N 2 2 355.446 0.654 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001084349345 1258043159 /nfs/dbraw/zinc/04/31/59/1258043159.db2.gz HYMZCFRFTONAIY-BPQIPLTHSA-N 2 2 371.485 0.860 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001084349345 1258043165 /nfs/dbraw/zinc/04/31/65/1258043165.db2.gz HYMZCFRFTONAIY-BPQIPLTHSA-N 2 2 371.485 0.860 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447674 1258116883 /nfs/dbraw/zinc/11/68/83/1258116883.db2.gz ZEVXXSKHNISBOR-MOIQIXESSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447674 1258116889 /nfs/dbraw/zinc/11/68/89/1258116889.db2.gz ZEVXXSKHNISBOR-MOIQIXESSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447674 1258116890 /nfs/dbraw/zinc/11/68/90/1258116890.db2.gz ZEVXXSKHNISBOR-MOIQIXESSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447674 1258116895 /nfs/dbraw/zinc/11/68/95/1258116895.db2.gz ZEVXXSKHNISBOR-MOIQIXESSA-N 2 2 361.490 0.480 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)N1CCC1 ZINC001084487987 1258132410 /nfs/dbraw/zinc/13/24/10/1258132410.db2.gz HDTXCWRIVRQRNK-NVXWUHKLSA-N 2 2 353.426 0.713 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)N1CCC1 ZINC001084487987 1258132414 /nfs/dbraw/zinc/13/24/14/1258132414.db2.gz HDTXCWRIVRQRNK-NVXWUHKLSA-N 2 2 353.426 0.713 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)NC1CC1 ZINC001084488003 1258133146 /nfs/dbraw/zinc/13/31/46/1258133146.db2.gz IEWIMKRFUJBOCN-RHSMWYFYSA-N 2 2 353.426 0.759 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)NC1CC1 ZINC001084488003 1258133148 /nfs/dbraw/zinc/13/31/48/1258133148.db2.gz IEWIMKRFUJBOCN-RHSMWYFYSA-N 2 2 353.426 0.759 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)n1 ZINC001084523462 1258149264 /nfs/dbraw/zinc/14/92/64/1258149264.db2.gz IBENYSXEKPUAKV-GDBMZVCRSA-N 2 2 356.430 0.723 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)n1 ZINC001084523462 1258149267 /nfs/dbraw/zinc/14/92/67/1258149267.db2.gz IBENYSXEKPUAKV-GDBMZVCRSA-N 2 2 356.430 0.723 20 0 FCADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084522187 1258149677 /nfs/dbraw/zinc/14/96/77/1258149677.db2.gz OSHWHTQODSFXPL-DAXOMENPSA-N 2 2 367.409 0.286 20 0 FCADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084522187 1258149679 /nfs/dbraw/zinc/14/96/79/1258149679.db2.gz OSHWHTQODSFXPL-DAXOMENPSA-N 2 2 367.409 0.286 20 0 FCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)cn1 ZINC001084539724 1258161230 /nfs/dbraw/zinc/16/12/30/1258161230.db2.gz DQXDHYCRSCFZBV-IAGOWNOFSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)cn1 ZINC001084539724 1258161232 /nfs/dbraw/zinc/16/12/32/1258161232.db2.gz DQXDHYCRSCFZBV-IAGOWNOFSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)cc1=O ZINC001084560311 1258169300 /nfs/dbraw/zinc/16/93/00/1258169300.db2.gz KGYLUEWKENGXKD-IAGOWNOFSA-N 2 2 355.442 0.705 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)cc1=O ZINC001084560311 1258169303 /nfs/dbraw/zinc/16/93/03/1258169303.db2.gz KGYLUEWKENGXKD-IAGOWNOFSA-N 2 2 355.442 0.705 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084560835 1258170562 /nfs/dbraw/zinc/17/05/62/1258170562.db2.gz FIQHUQPASYFMEG-IAGOWNOFSA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084560835 1258170567 /nfs/dbraw/zinc/17/05/67/1258170567.db2.gz FIQHUQPASYFMEG-IAGOWNOFSA-N 2 2 359.474 0.818 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001084613532 1258200632 /nfs/dbraw/zinc/20/06/32/1258200632.db2.gz LBQAWIAAXDCSTN-HLLBOEOZSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001084613532 1258200634 /nfs/dbraw/zinc/20/06/34/1258200634.db2.gz LBQAWIAAXDCSTN-HLLBOEOZSA-N 2 2 359.474 0.375 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614111 1258200746 /nfs/dbraw/zinc/20/07/46/1258200746.db2.gz FCDLIJUWQFADCM-SQWLQELKSA-N 2 2 362.474 0.964 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614111 1258200752 /nfs/dbraw/zinc/20/07/52/1258200752.db2.gz FCDLIJUWQFADCM-SQWLQELKSA-N 2 2 362.474 0.964 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722444 1258267490 /nfs/dbraw/zinc/26/74/90/1258267490.db2.gz PKSBPMZIIQUPNL-JFIYKMOQSA-N 2 2 359.474 0.793 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722444 1258267492 /nfs/dbraw/zinc/26/74/92/1258267492.db2.gz PKSBPMZIIQUPNL-JFIYKMOQSA-N 2 2 359.474 0.793 20 0 FCADLP 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CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214618 1258737573 /nfs/dbraw/zinc/73/75/73/1258737573.db2.gz UUQBDSBKHLPBIF-SOLBZPMBSA-N 2 2 359.474 0.211 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214618 1258737578 /nfs/dbraw/zinc/73/75/78/1258737578.db2.gz UUQBDSBKHLPBIF-SOLBZPMBSA-N 2 2 359.474 0.211 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728257 1258820579 /nfs/dbraw/zinc/82/05/79/1258820579.db2.gz JPPUPJWOXLCEFM-KFNAQCHYSA-N 2 2 369.425 0.666 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728257 1258820585 /nfs/dbraw/zinc/82/05/85/1258820585.db2.gz JPPUPJWOXLCEFM-KFNAQCHYSA-N 2 2 369.425 0.666 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686565 1258913896 /nfs/dbraw/zinc/91/38/96/1258913896.db2.gz JNGVFUMYDOGSGX-QDIHITRGSA-N 2 2 361.490 0.780 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104364011 1258915953 /nfs/dbraw/zinc/91/59/53/1258915953.db2.gz SNDJSIJUFRGKAQ-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106499002 1258924293 /nfs/dbraw/zinc/92/42/93/1258924293.db2.gz WWHKYPGJZTVPDK-ZIAGYGMSSA-N 2 2 360.418 0.584 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001331472276 1266221336 /nfs/dbraw/zinc/22/13/36/1266221336.db2.gz AIAIAQVHPFIQFZ-ZWKOTPCHSA-N 2 2 374.485 0.521 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106656396 1258933594 /nfs/dbraw/zinc/93/35/94/1258933594.db2.gz UOGKDSJZDBRNJD-RBSFLKMASA-N 2 2 359.474 0.746 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106748114 1258952958 /nfs/dbraw/zinc/95/29/58/1258952958.db2.gz KHJQEAXOTSBINX-IIAWOOMASA-N 2 2 361.490 0.799 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106748114 1258952962 /nfs/dbraw/zinc/95/29/62/1258952962.db2.gz KHJQEAXOTSBINX-IIAWOOMASA-N 2 2 361.490 0.799 20 0 FCADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C3)[nH+]c12 ZINC001106763736 1258957600 /nfs/dbraw/zinc/95/76/00/1258957600.db2.gz QIGJCLGIUCTBLJ-QLFBSQMISA-N 2 2 357.458 0.743 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)on1 ZINC001106799279 1258965836 /nfs/dbraw/zinc/96/58/36/1258965836.db2.gz FUDPRJZTCWWCEL-DGCLKSJQSA-N 2 2 360.418 0.571 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106799308 1258965988 /nfs/dbraw/zinc/96/59/88/1258965988.db2.gz GWFUHUJBLAOWPG-CHWSQXEVSA-N 2 2 357.418 0.065 20 0 FCADLP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(N)=O ZINC001106869849 1258982497 /nfs/dbraw/zinc/98/24/97/1258982497.db2.gz OPCGVHGHEMMFDZ-FMKPAKJESA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001107071032 1259026923 /nfs/dbraw/zinc/02/69/23/1259026923.db2.gz BVSOYRGBYDVZKF-HZPDHXFCSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001107071613 1259027072 /nfs/dbraw/zinc/02/70/72/1259027072.db2.gz OYEYNGXYRPWSEP-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001107076383 1259027883 /nfs/dbraw/zinc/02/78/83/1259027883.db2.gz SUPYISFHCWGNIF-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001107076267 1259028361 /nfs/dbraw/zinc/02/83/61/1259028361.db2.gz NEKNQULDSGQHOM-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)nn2)C1 ZINC001107172795 1259035644 /nfs/dbraw/zinc/03/56/44/1259035644.db2.gz MGHNWVFRUZZOOP-DLBZAZTESA-N 2 2 364.494 0.518 20 0 FCADLP CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC001107172795 1259035653 /nfs/dbraw/zinc/03/56/53/1259035653.db2.gz MGHNWVFRUZZOOP-DLBZAZTESA-N 2 2 364.494 0.518 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107384582 1259070219 /nfs/dbraw/zinc/07/02/19/1259070219.db2.gz LNWFNDJRJDVRLB-CRAIPNDOSA-N 2 2 357.462 0.995 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107384582 1259070227 /nfs/dbraw/zinc/07/02/27/1259070227.db2.gz LNWFNDJRJDVRLB-CRAIPNDOSA-N 2 2 357.462 0.995 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC/C=C\CNc2[nH+]cnc3c2cnn3C)O1 ZINC001107575884 1259121692 /nfs/dbraw/zinc/12/16/92/1259121692.db2.gz ATNCZXZYSUBFRP-YKEDUJKTSA-N 2 2 359.434 0.167 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC/C=C\CNc2[nH+]cnc3c2cnn3C)O1 ZINC001107575884 1259121695 /nfs/dbraw/zinc/12/16/95/1259121695.db2.gz ATNCZXZYSUBFRP-YKEDUJKTSA-N 2 2 359.434 0.167 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107610168 1259134624 /nfs/dbraw/zinc/13/46/24/1259134624.db2.gz QNANGFGDEHIUGQ-VQIMIIECSA-N 2 2 359.474 0.556 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107610168 1259134626 /nfs/dbraw/zinc/13/46/26/1259134626.db2.gz QNANGFGDEHIUGQ-VQIMIIECSA-N 2 2 359.474 0.556 20 0 FCADLP CC(C)COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108025114 1259152600 /nfs/dbraw/zinc/15/26/00/1259152600.db2.gz UISXHYTYYVTXHP-ZHALLVOQSA-N 2 2 371.522 0.585 20 0 FCADLP CC(C)COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108025114 1259152603 /nfs/dbraw/zinc/15/26/03/1259152603.db2.gz UISXHYTYYVTXHP-ZHALLVOQSA-N 2 2 371.522 0.585 20 0 FCADLP CC(C)COCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108025114 1259152607 /nfs/dbraw/zinc/15/26/07/1259152607.db2.gz UISXHYTYYVTXHP-ZHALLVOQSA-N 2 2 371.522 0.585 20 0 FCADLP CC(C)COCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108025114 1259152609 /nfs/dbraw/zinc/15/26/09/1259152609.db2.gz UISXHYTYYVTXHP-ZHALLVOQSA-N 2 2 371.522 0.585 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CCF)n3CC2)CC[N@@H+]1C ZINC001128006746 1259190164 /nfs/dbraw/zinc/19/01/64/1259190164.db2.gz XATCOEUSXKCRPU-QLFBSQMISA-N 2 2 366.485 0.889 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCc3nnc(C[NH2+]CCF)n3CC2)CC[N@H+]1C ZINC001128006746 1259190171 /nfs/dbraw/zinc/19/01/71/1259190171.db2.gz XATCOEUSXKCRPU-QLFBSQMISA-N 2 2 366.485 0.889 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139651 1259327465 /nfs/dbraw/zinc/32/74/65/1259327465.db2.gz QVDXTUPZKWGVEB-XHSDSOJGSA-N 2 2 361.450 0.067 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139651 1259327472 /nfs/dbraw/zinc/32/74/72/1259327472.db2.gz QVDXTUPZKWGVEB-XHSDSOJGSA-N 2 2 361.450 0.067 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288944 1259367653 /nfs/dbraw/zinc/36/76/53/1259367653.db2.gz LVHDPDYIJCDAFV-OAGGEKHMSA-N 2 2 361.450 0.504 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129288944 1259367656 /nfs/dbraw/zinc/36/76/56/1259367656.db2.gz LVHDPDYIJCDAFV-OAGGEKHMSA-N 2 2 361.450 0.504 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001212253858 1259442915 /nfs/dbraw/zinc/44/29/15/1259442915.db2.gz KCYINMCQDZUISW-BRWVUGGUSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001212253858 1259442917 /nfs/dbraw/zinc/44/29/17/1259442917.db2.gz KCYINMCQDZUISW-BRWVUGGUSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001212253858 1259442919 /nfs/dbraw/zinc/44/29/19/1259442919.db2.gz KCYINMCQDZUISW-BRWVUGGUSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001212253858 1259442921 /nfs/dbraw/zinc/44/29/21/1259442921.db2.gz KCYINMCQDZUISW-BRWVUGGUSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001212301131 1259457742 /nfs/dbraw/zinc/45/77/42/1259457742.db2.gz DKOYQCXAWUWAGW-USXIJHARSA-N 2 2 364.490 0.738 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001212301131 1259457744 /nfs/dbraw/zinc/45/77/44/1259457744.db2.gz DKOYQCXAWUWAGW-USXIJHARSA-N 2 2 364.490 0.738 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403672 1259491363 /nfs/dbraw/zinc/49/13/63/1259491363.db2.gz QWQQHGXBTINGNG-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403672 1259491369 /nfs/dbraw/zinc/49/13/69/1259491369.db2.gz QWQQHGXBTINGNG-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403704 1259492448 /nfs/dbraw/zinc/49/24/48/1259492448.db2.gz RZNYCDXLOZHMCN-GDBMZVCRSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403704 1259492452 /nfs/dbraw/zinc/49/24/52/1259492452.db2.gz RZNYCDXLOZHMCN-GDBMZVCRSA-N 2 2 364.494 0.406 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212496031 1259525796 /nfs/dbraw/zinc/52/57/96/1259525796.db2.gz VIPPOYFONSKYKT-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212496031 1259525798 /nfs/dbraw/zinc/52/57/98/1259525798.db2.gz VIPPOYFONSKYKT-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212496031 1259525800 /nfs/dbraw/zinc/52/58/00/1259525800.db2.gz VIPPOYFONSKYKT-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212496031 1259525803 /nfs/dbraw/zinc/52/58/03/1259525803.db2.gz VIPPOYFONSKYKT-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP CCOC(=O)[C@H]1C[C@@H]2CN(Cc3cccc(C(=O)NCC[NH3+])c3)C[C@@H]2[NH2+]1 ZINC001235284155 1259569105 /nfs/dbraw/zinc/56/91/05/1259569105.db2.gz SVFSBQWFKNRELW-ZACQAIPSSA-N 2 2 360.458 0.101 20 0 FCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198376 1259569631 /nfs/dbraw/zinc/56/96/31/1259569631.db2.gz DLANSDFARIAGJW-HXUWFJFHSA-N 3 2 360.502 0.677 20 0 FCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198376 1259569638 /nfs/dbraw/zinc/56/96/38/1259569638.db2.gz DLANSDFARIAGJW-HXUWFJFHSA-N 3 2 360.502 0.677 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658285 1259581299 /nfs/dbraw/zinc/58/12/99/1259581299.db2.gz XDMFUICCLDBSSS-BXWFABGCSA-N 2 2 367.490 0.441 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658285 1259581303 /nfs/dbraw/zinc/58/13/03/1259581303.db2.gz XDMFUICCLDBSSS-BXWFABGCSA-N 2 2 367.490 0.441 20 0 FCADLP Nc1ncc(-c2ccccc2C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236311970 1259588928 /nfs/dbraw/zinc/58/89/28/1259588928.db2.gz XZSIQPVYPCFKRY-UHFFFAOYSA-N 3 2 371.489 0.342 20 0 FCADLP Nc1ncc(-c2ccccc2C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236311970 1259588936 /nfs/dbraw/zinc/58/89/36/1259588936.db2.gz XZSIQPVYPCFKRY-UHFFFAOYSA-N 3 2 371.489 0.342 20 0 FCADLP Cn1nncc1C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001238158793 1259616898 /nfs/dbraw/zinc/61/68/98/1259616898.db2.gz RECNODJOCLOTNJ-UHFFFAOYSA-N 2 2 360.466 0.425 20 0 FCADLP Cn1nncc1C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001238158793 1259616906 /nfs/dbraw/zinc/61/69/06/1259616906.db2.gz RECNODJOCLOTNJ-UHFFFAOYSA-N 2 2 360.466 0.425 20 0 FCADLP Cc1c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cnn1-c1cc[nH+]cc1 ZINC001335364416 1259626167 /nfs/dbraw/zinc/62/61/67/1259626167.db2.gz QPDSWLRMGWHSJD-INIZCTEOSA-N 2 2 368.441 0.612 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccnc(-c3ccc(N4CC[NH2+]CC4)nc3)c2)CC1 ZINC001240485487 1259628766 /nfs/dbraw/zinc/62/87/66/1259628766.db2.gz ARUZOPBKAHNSKB-UHFFFAOYSA-N 2 2 366.469 0.941 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001335397380 1259645008 /nfs/dbraw/zinc/64/50/08/1259645008.db2.gz GHRAGCRDKCFJBU-YXJHDRRASA-N 2 2 365.474 0.437 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001335397380 1259645016 /nfs/dbraw/zinc/64/50/16/1259645016.db2.gz GHRAGCRDKCFJBU-YXJHDRRASA-N 2 2 365.474 0.437 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1C(=O)OC ZINC001246140246 1259648617 /nfs/dbraw/zinc/64/86/17/1259648617.db2.gz GJVKDSGVCMGRHY-QKPAOTATSA-N 3 2 367.490 0.581 20 0 FCADLP COc1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3C[NH2+]CCN3)CC2=O)c(OC)c1 ZINC001246489765 1259654198 /nfs/dbraw/zinc/65/41/98/1259654198.db2.gz ATSYSWKGEHBRMA-CVEARBPZSA-N 2 2 362.474 0.346 20 0 FCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651363 1259659170 /nfs/dbraw/zinc/65/91/70/1259659170.db2.gz CYVLLLSCBYRKCH-CKFHNAJUSA-N 2 2 374.489 0.416 20 0 FCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651363 1259659178 /nfs/dbraw/zinc/65/91/78/1259659178.db2.gz CYVLLLSCBYRKCH-CKFHNAJUSA-N 2 2 374.489 0.416 20 0 FCADLP COC(=O)[C@@H]1C[C@H](n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246732008 1259672827 /nfs/dbraw/zinc/67/28/27/1259672827.db2.gz ZEGBUJGWUHBRIE-DYEKYZERSA-N 2 2 361.446 0.229 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)CC[NH2+]1 ZINC001246738598 1259674940 /nfs/dbraw/zinc/67/49/40/1259674940.db2.gz QAAGMIBDWOTBFN-RTKZEXODSA-N 2 2 359.474 0.826 20 0 FCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)CC[NH2+]1 ZINC001246738598 1259674949 /nfs/dbraw/zinc/67/49/49/1259674949.db2.gz QAAGMIBDWOTBFN-RTKZEXODSA-N 2 2 359.474 0.826 20 0 FCADLP C[C@@H]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C[NH2+]1 ZINC001246772359 1259687374 /nfs/dbraw/zinc/68/73/74/1259687374.db2.gz DHLTXGWYQUCITP-CABCVRRESA-N 2 2 371.489 0.545 20 0 FCADLP C[C@H]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C[NH2+]1 ZINC001246772365 1259688200 /nfs/dbraw/zinc/68/82/00/1259688200.db2.gz DHLTXGWYQUCITP-LSDHHAIUSA-N 2 2 371.489 0.545 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335505560 1259689076 /nfs/dbraw/zinc/68/90/76/1259689076.db2.gz KGYDYHZSFPERSY-HOCLYGCPSA-N 2 2 354.470 0.431 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335505560 1259689082 /nfs/dbraw/zinc/68/90/82/1259689082.db2.gz KGYDYHZSFPERSY-HOCLYGCPSA-N 2 2 354.470 0.431 20 0 FCADLP Fc1ccc(Cc2nnc3n2CC[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246834484 1259691456 /nfs/dbraw/zinc/69/14/56/1259691456.db2.gz VGVIBDACPHTZIG-MRXNPFEDSA-N 2 2 356.449 0.918 20 0 FCADLP Fc1ccc(Cc2nnc3n2CC[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246834484 1259691463 /nfs/dbraw/zinc/69/14/63/1259691463.db2.gz VGVIBDACPHTZIG-MRXNPFEDSA-N 2 2 356.449 0.918 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCc1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247653959 1259704184 /nfs/dbraw/zinc/70/41/84/1259704184.db2.gz BORXZMXWXRDTRR-INIZCTEOSA-N 2 2 373.457 0.917 20 0 FCADLP c1cc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1C[NH+]1CCOCC1 ZINC001247828288 1259704303 /nfs/dbraw/zinc/70/43/03/1259704303.db2.gz CFLFTJCVIBUYOA-INIZCTEOSA-N 3 2 355.442 0.845 20 0 FCADLP C[NH+]1CCN(Cc2cccc(-c3noc([C@H]4C[NH2+]CC45C[NH2+]C5)n3)c2)CC1 ZINC001247832288 1259705407 /nfs/dbraw/zinc/70/54/07/1259705407.db2.gz XQODMUWZMFVOMW-QGZVFWFLSA-N 3 2 368.485 0.760 20 0 FCADLP CN1CC[NH+](Cc2cccc(-c3noc([C@H]4C[NH2+]CC45C[NH2+]C5)n3)c2)CC1 ZINC001247832288 1259705412 /nfs/dbraw/zinc/70/54/12/1259705412.db2.gz XQODMUWZMFVOMW-QGZVFWFLSA-N 3 2 368.485 0.760 20 0 FCADLP COCCOc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1OCCOC ZINC001249130136 1259721326 /nfs/dbraw/zinc/72/13/26/1259721326.db2.gz UMSQJZLWIVEILD-CYBMUJFWSA-N 2 2 366.418 0.616 20 0 FCADLP CC(C)(C)OC(=O)N1CCC(C(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251036313 1259734714 /nfs/dbraw/zinc/73/47/14/1259734714.db2.gz GCCAYUFVKOLUCC-HNNXBMFYSA-N 2 2 370.494 0.893 20 0 FCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@@H+](CC1(O)CCOCC1)C2 ZINC001252961170 1259815298 /nfs/dbraw/zinc/81/52/98/1259815298.db2.gz FWBPLRCWNRFWIP-UHFFFAOYSA-N 2 2 359.430 0.235 20 0 FCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCC[N@H+](CC1(O)CCOCC1)C2 ZINC001252961170 1259815305 /nfs/dbraw/zinc/81/53/05/1259815305.db2.gz FWBPLRCWNRFWIP-UHFFFAOYSA-N 2 2 359.430 0.235 20 0 FCADLP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335791166 1259840265 /nfs/dbraw/zinc/84/02/65/1259840265.db2.gz SGFUYHUVUNSKPG-ZFWWWQNUSA-N 2 2 362.478 0.173 20 0 FCADLP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335791166 1259840269 /nfs/dbraw/zinc/84/02/69/1259840269.db2.gz SGFUYHUVUNSKPG-ZFWWWQNUSA-N 2 2 362.478 0.173 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254804708 1259896759 /nfs/dbraw/zinc/89/67/59/1259896759.db2.gz VRPYWTUSIDXJGF-AWEZNQCLSA-N 2 2 367.494 0.927 20 0 FCADLP CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001256030720 1259930728 /nfs/dbraw/zinc/93/07/28/1259930728.db2.gz CRDAIRSJDPUZMA-NCOADZHNSA-N 2 2 362.478 0.904 20 0 FCADLP CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001256030720 1259930737 /nfs/dbraw/zinc/93/07/37/1259930737.db2.gz CRDAIRSJDPUZMA-NCOADZHNSA-N 2 2 362.478 0.904 20 0 FCADLP CCOC(=O)N1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)C1 ZINC001256030720 1259930747 /nfs/dbraw/zinc/93/07/47/1259930747.db2.gz CRDAIRSJDPUZMA-NCOADZHNSA-N 2 2 362.478 0.904 20 0 FCADLP CCOC(=O)N1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)C1 ZINC001256030720 1259930758 /nfs/dbraw/zinc/93/07/58/1259930758.db2.gz CRDAIRSJDPUZMA-NCOADZHNSA-N 2 2 362.478 0.904 20 0 FCADLP CC(=O)NCc1nnc2n1CC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256694243 1259956766 /nfs/dbraw/zinc/95/67/66/1259956766.db2.gz URWPLCJWUQEBMJ-UHFFFAOYSA-N 2 2 362.478 0.373 20 0 FCADLP CC(=O)NCc1nnc2n1CC[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256694243 1259956768 /nfs/dbraw/zinc/95/67/68/1259956768.db2.gz URWPLCJWUQEBMJ-UHFFFAOYSA-N 2 2 362.478 0.373 20 0 FCADLP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001256874378 1259976966 /nfs/dbraw/zinc/97/69/66/1259976966.db2.gz PSIMUNHUOLXELY-UHFFFAOYSA-N 2 2 370.457 0.068 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@]23CC[NH2+]C3)([NH+]2CCOCC2)C1 ZINC001336084755 1259980119 /nfs/dbraw/zinc/98/01/19/1259980119.db2.gz VLFOKNYKBQVPBK-CUYAVPTFSA-N 2 2 366.506 0.794 20 0 FCADLP COC1(OC)CCOC[C@@H]1[NH2+]CCC[NH2+][C@H]1COCCC1(OC)OC ZINC001336197345 1260036953 /nfs/dbraw/zinc/03/69/53/1260036953.db2.gz DUDWRSXYMFOXLQ-GJZGRUSLSA-N 2 2 362.467 0.112 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(-c2cnccn2)no1 ZINC001331909261 1266303523 /nfs/dbraw/zinc/30/35/23/1266303523.db2.gz DTXLMILJBQVHKM-UHFFFAOYSA-N 2 2 359.434 0.625 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(-c2cnccn2)no1 ZINC001331909261 1266303536 /nfs/dbraw/zinc/30/35/36/1266303536.db2.gz DTXLMILJBQVHKM-UHFFFAOYSA-N 2 2 359.434 0.625 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336779894 1260221391 /nfs/dbraw/zinc/22/13/91/1260221391.db2.gz KXKJMTYCBFZSMS-NXHRZFHOSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336779894 1260221397 /nfs/dbraw/zinc/22/13/97/1260221397.db2.gz KXKJMTYCBFZSMS-NXHRZFHOSA-N 2 2 351.491 0.797 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2cccc(N3CCOCC3)c2)CC1 ZINC001336877053 1260244605 /nfs/dbraw/zinc/24/46/05/1260244605.db2.gz QTXAAQBVEMSHIA-UHFFFAOYSA-N 2 2 361.490 0.746 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC001262073546 1260256935 /nfs/dbraw/zinc/25/69/35/1260256935.db2.gz VKJZDSSBFPEMSN-INMHGKMJSA-N 2 2 374.485 0.754 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)c1nnnn1CC(C)(C)[NH+]1CCOCC1 ZINC001336997311 1260279857 /nfs/dbraw/zinc/27/98/57/1260279857.db2.gz CXAXVKCCCUPSBI-UHFFFAOYSA-N 2 2 351.499 0.704 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1C[NH+](C)CCO1 ZINC001262578071 1260329083 /nfs/dbraw/zinc/32/90/83/1260329083.db2.gz HNPUKPKEBPOTOF-DZJNRPSUSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@H]1C[NH+](C)CCO1 ZINC001262578071 1260329090 /nfs/dbraw/zinc/32/90/90/1260329090.db2.gz HNPUKPKEBPOTOF-DZJNRPSUSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@H]1C[N@H+](C)CCO1 ZINC001262578071 1260329099 /nfs/dbraw/zinc/32/90/99/1260329099.db2.gz HNPUKPKEBPOTOF-DZJNRPSUSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001262578071 1260329105 /nfs/dbraw/zinc/32/91/05/1260329105.db2.gz HNPUKPKEBPOTOF-DZJNRPSUSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1C[NH+](C)CCO1 ZINC001262578073 1260330013 /nfs/dbraw/zinc/33/00/13/1260330013.db2.gz HNPUKPKEBPOTOF-OWLYRPNTSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@@H]1C[NH+](C)CCO1 ZINC001262578073 1260330021 /nfs/dbraw/zinc/33/00/21/1260330021.db2.gz HNPUKPKEBPOTOF-OWLYRPNTSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001262578073 1260330029 /nfs/dbraw/zinc/33/00/29/1260330029.db2.gz HNPUKPKEBPOTOF-OWLYRPNTSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001262578073 1260330037 /nfs/dbraw/zinc/33/00/37/1260330037.db2.gz HNPUKPKEBPOTOF-OWLYRPNTSA-N 3 2 365.522 0.316 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](CCn1ccnc1)CCO2 ZINC001272825033 1260512747 /nfs/dbraw/zinc/51/27/47/1260512747.db2.gz KGDAPUPRYQZXDG-PKOBYXMFSA-N 2 2 361.490 0.671 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](CCn1ccnc1)CCO2 ZINC001272825033 1260512754 /nfs/dbraw/zinc/51/27/54/1260512754.db2.gz KGDAPUPRYQZXDG-PKOBYXMFSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](CCn1ccnc1)CCO2 ZINC001272825033 1260512760 /nfs/dbraw/zinc/51/27/60/1260512760.db2.gz KGDAPUPRYQZXDG-PKOBYXMFSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](CCn1ccnc1)CCO2 ZINC001272825033 1260512767 /nfs/dbraw/zinc/51/27/67/1260512767.db2.gz KGDAPUPRYQZXDG-PKOBYXMFSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CCCC3(C[NH+](CCn4ccnc4)C3)C2)CC1 ZINC001272867580 1260519887 /nfs/dbraw/zinc/51/98/87/1260519887.db2.gz IVHGDHCPWCCUJM-UHFFFAOYSA-N 2 2 360.506 0.055 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[NH+](C)CC4)[C@@H]3C2)n(C)n1 ZINC001272867350 1260520211 /nfs/dbraw/zinc/52/02/11/1260520211.db2.gz HIJJYIVYLKKGNM-FUHWJXTLSA-N 2 2 360.506 0.009 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[NH+](C)CC4)[C@@H]3C2)n(C)n1 ZINC001272867350 1260520218 /nfs/dbraw/zinc/52/02/18/1260520218.db2.gz HIJJYIVYLKKGNM-FUHWJXTLSA-N 2 2 360.506 0.009 20 0 FCADLP CN1C[C@H](C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)CC1=O ZINC001273119091 1260594457 /nfs/dbraw/zinc/59/44/57/1260594457.db2.gz HKSRUKNQYQNRDP-LZQZEXGQSA-N 2 2 359.474 0.913 20 0 FCADLP CC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273249449 1260634756 /nfs/dbraw/zinc/63/47/56/1260634756.db2.gz VYCZODAUWJHEHO-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP CC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273249449 1260634764 /nfs/dbraw/zinc/63/47/64/1260634764.db2.gz VYCZODAUWJHEHO-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732521 1260664520 /nfs/dbraw/zinc/66/45/20/1260664520.db2.gz FORXNCPRKUMHNH-GOSISDBHSA-N 2 2 361.446 0.584 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732521 1260664527 /nfs/dbraw/zinc/66/45/27/1260664527.db2.gz FORXNCPRKUMHNH-GOSISDBHSA-N 2 2 361.446 0.584 20 0 FCADLP Cc1[nH]c(C[N@@H+]2CCC[C@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732450 1260666161 /nfs/dbraw/zinc/66/61/61/1260666161.db2.gz CQVUCVMFNWLTRL-UGSOOPFHSA-N 2 2 359.430 0.338 20 0 FCADLP Cc1[nH]c(C[N@H+]2CCC[C@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732450 1260666167 /nfs/dbraw/zinc/66/61/67/1260666167.db2.gz CQVUCVMFNWLTRL-UGSOOPFHSA-N 2 2 359.430 0.338 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(F)n2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279226344 1260803140 /nfs/dbraw/zinc/80/31/40/1260803140.db2.gz JMTDZGIJGVNQDV-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(F)n2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279226344 1260803145 /nfs/dbraw/zinc/80/31/45/1260803145.db2.gz JMTDZGIJGVNQDV-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)[nH]n1 ZINC001279670475 1260911797 /nfs/dbraw/zinc/91/17/97/1260911797.db2.gz UHHDELWOPGMWFB-KBPBESRZSA-N 2 2 361.446 0.229 20 0 FCADLP CCOC(=O)c1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)[nH]n1 ZINC001279670475 1260911800 /nfs/dbraw/zinc/91/18/00/1260911800.db2.gz UHHDELWOPGMWFB-KBPBESRZSA-N 2 2 361.446 0.229 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[C@@H]1C[N@H+](CCN1CCOCC1)C2 ZINC001279772585 1260934088 /nfs/dbraw/zinc/93/40/88/1260934088.db2.gz RAIGGDDLZBUFIE-DNVCBOLYSA-N 2 2 355.442 0.927 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC001279772585 1260934089 /nfs/dbraw/zinc/93/40/89/1260934089.db2.gz RAIGGDDLZBUFIE-DNVCBOLYSA-N 2 2 355.442 0.927 20 0 FCADLP CN(C)c1ncc(C[NH+]2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)cn1 ZINC001279880204 1260949848 /nfs/dbraw/zinc/94/98/48/1260949848.db2.gz VDZPIXOSXSQDFN-INIZCTEOSA-N 2 2 358.490 0.575 20 0 FCADLP COc1c[nH+]c(N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)nc1NC(C)C ZINC001280110524 1261005837 /nfs/dbraw/zinc/00/58/37/1261005837.db2.gz XOZJQZXSGYWQBJ-GASCZTMLSA-N 2 2 364.494 0.757 20 0 FCADLP Cc1c[nH+]c(N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)nc1N1CCCC1 ZINC001280113861 1261006393 /nfs/dbraw/zinc/00/63/93/1261006393.db2.gz UQJGUBMHSOFCRZ-UHFFFAOYSA-N 2 2 358.490 0.986 20 0 FCADLP Cc1c[nH+]c(N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)nc1N1CCCC1 ZINC001280113861 1261006399 /nfs/dbraw/zinc/00/63/99/1261006399.db2.gz UQJGUBMHSOFCRZ-UHFFFAOYSA-N 2 2 358.490 0.986 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001280119784 1261009105 /nfs/dbraw/zinc/00/91/05/1261009105.db2.gz IPXBTNPVQCHMQZ-HUUCEWRRSA-N 2 2 357.458 0.187 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001280119784 1261009107 /nfs/dbraw/zinc/00/91/07/1261009107.db2.gz IPXBTNPVQCHMQZ-HUUCEWRRSA-N 2 2 357.458 0.187 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2Cc3ccnn3CC[C@@H]2C(=O)NCC2COC2)CC1 ZINC001280126197 1261011210 /nfs/dbraw/zinc/01/12/10/1261011210.db2.gz SFQXTHAJRPKTRL-GOSISDBHSA-N 2 2 361.490 0.562 20 0 FCADLP C[NH+]1CCC(C[N@H+]2Cc3ccnn3CC[C@@H]2C(=O)NCC2COC2)CC1 ZINC001280126197 1261011215 /nfs/dbraw/zinc/01/12/15/1261011215.db2.gz SFQXTHAJRPKTRL-GOSISDBHSA-N 2 2 361.490 0.562 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280168589 1261018865 /nfs/dbraw/zinc/01/88/65/1261018865.db2.gz LSQHQRDRUSDNAP-IAGOWNOFSA-N 2 2 362.474 0.648 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001280168589 1261018869 /nfs/dbraw/zinc/01/88/69/1261018869.db2.gz LSQHQRDRUSDNAP-IAGOWNOFSA-N 2 2 362.474 0.648 20 0 FCADLP Cn1c[nH+]cc1CN1CCn2cc(C(=O)NC3CC[NH+](C)CC3)nc2C1 ZINC001280291521 1261050296 /nfs/dbraw/zinc/05/02/96/1261050296.db2.gz RWMPVJMURWQKEW-UHFFFAOYSA-N 2 2 357.462 0.456 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280303528 1261052453 /nfs/dbraw/zinc/05/24/53/1261052453.db2.gz WHKLYTSJGVONGH-IBGZPJMESA-N 2 2 365.522 0.620 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280303528 1261052458 /nfs/dbraw/zinc/05/24/58/1261052458.db2.gz WHKLYTSJGVONGH-IBGZPJMESA-N 2 2 365.522 0.620 20 0 FCADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)c2)CC1 ZINC001332363200 1266387223 /nfs/dbraw/zinc/38/72/23/1266387223.db2.gz CWEALUPXCZGBJO-IBGZPJMESA-N 2 2 372.513 0.819 20 0 FCADLP COc1cc2c(cc1C[NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)OCO2 ZINC001473996426 1261503703 /nfs/dbraw/zinc/50/37/03/1261503703.db2.gz VGKPOOVUQUAPGQ-INIZCTEOSA-N 2 2 363.458 0.920 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cn(CC(N)=O)nn3)cc2)C[C@@H](C)O1 ZINC001473929417 1261504485 /nfs/dbraw/zinc/50/44/85/1261504485.db2.gz HGSFCXKJQFVACG-HUUCEWRRSA-N 2 2 372.473 0.662 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143477 1261641293 /nfs/dbraw/zinc/64/12/93/1261641293.db2.gz WUVCRJQMICVPQO-GDBMZVCRSA-N 2 2 361.490 0.677 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143477 1261641299 /nfs/dbraw/zinc/64/12/99/1261641299.db2.gz WUVCRJQMICVPQO-GDBMZVCRSA-N 2 2 361.490 0.677 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143478 1261641324 /nfs/dbraw/zinc/64/13/24/1261641324.db2.gz WUVCRJQMICVPQO-GOEBONIOSA-N 2 2 361.490 0.677 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143478 1261641332 /nfs/dbraw/zinc/64/13/32/1261641332.db2.gz WUVCRJQMICVPQO-GOEBONIOSA-N 2 2 361.490 0.677 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284592634 1261768881 /nfs/dbraw/zinc/76/88/81/1261768881.db2.gz WBNUAHZDEVKXHU-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284592634 1261768885 /nfs/dbraw/zinc/76/88/85/1261768885.db2.gz WBNUAHZDEVKXHU-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001284945105 1261796839 /nfs/dbraw/zinc/79/68/39/1261796839.db2.gz XSWAHHUNNABJJK-HUUCEWRRSA-N 2 2 361.490 0.829 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001284945105 1261796845 /nfs/dbraw/zinc/79/68/45/1261796845.db2.gz XSWAHHUNNABJJK-HUUCEWRRSA-N 2 2 361.490 0.829 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580328071 1278128743 /nfs/dbraw/zinc/12/87/43/1278128743.db2.gz XGRMLXUIWVGLSL-IUODEOHRSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001580354567 1278155898 /nfs/dbraw/zinc/15/58/98/1278155898.db2.gz HRDSQHOPPSWVJU-TZMCWYRMSA-N 2 2 370.461 0.687 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001296379805 1262809731 /nfs/dbraw/zinc/80/97/31/1262809731.db2.gz LAXQBMLRXTZBEU-HUUCEWRRSA-N 2 2 361.490 0.830 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(C(=O)CC(C)(C)O)CC2)CC[N@@H+]1C ZINC001296826629 1262839272 /nfs/dbraw/zinc/83/92/72/1262839272.db2.gz OYAWXGQAYNHORR-HZPDHXFCSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(C(=O)CC(C)(C)O)CC2)CC[N@H+]1C ZINC001296826629 1262839277 /nfs/dbraw/zinc/83/92/77/1262839277.db2.gz OYAWXGQAYNHORR-HZPDHXFCSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001316708173 1263432055 /nfs/dbraw/zinc/43/20/55/1263432055.db2.gz CTDZZGJRBKASTE-WBVHZDCISA-N 2 2 361.490 0.802 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(=O)NC2CCCC2)CC1 ZINC001483767527 1263446189 /nfs/dbraw/zinc/44/61/89/1263446189.db2.gz CNURTYZSOFQPAD-HUUCEWRRSA-N 2 2 359.474 0.821 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001316755980 1263460412 /nfs/dbraw/zinc/46/04/12/1263460412.db2.gz UWBOERHWXDPAAD-CVEARBPZSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001316755980 1263460417 /nfs/dbraw/zinc/46/04/17/1263460417.db2.gz UWBOERHWXDPAAD-CVEARBPZSA-N 2 2 361.490 0.658 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001316758153 1263463809 /nfs/dbraw/zinc/46/38/09/1263463809.db2.gz PXEBZDIUUOLZEK-XHSDSOJGSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001316758153 1263463815 /nfs/dbraw/zinc/46/38/15/1263463815.db2.gz PXEBZDIUUOLZEK-XHSDSOJGSA-N 2 2 361.490 0.989 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001318459958 1263576629 /nfs/dbraw/zinc/57/66/29/1263576629.db2.gz AZKNHMIVEVCGSC-MSOLQXFVSA-N 2 2 358.486 0.965 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001318459958 1263576641 /nfs/dbraw/zinc/57/66/41/1263576641.db2.gz AZKNHMIVEVCGSC-MSOLQXFVSA-N 2 2 358.486 0.965 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001318459958 1263576650 /nfs/dbraw/zinc/57/66/50/1263576650.db2.gz AZKNHMIVEVCGSC-MSOLQXFVSA-N 2 2 358.486 0.965 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001318459958 1263576661 /nfs/dbraw/zinc/57/66/61/1263576661.db2.gz AZKNHMIVEVCGSC-MSOLQXFVSA-N 2 2 358.486 0.965 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001318863446 1263619101 /nfs/dbraw/zinc/61/91/01/1263619101.db2.gz WBYVOOZAEARODG-OAQYLSRUSA-N 2 2 374.529 0.766 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001318863446 1263619112 /nfs/dbraw/zinc/61/91/12/1263619112.db2.gz WBYVOOZAEARODG-OAQYLSRUSA-N 2 2 374.529 0.766 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)C2)cn1 ZINC001319394007 1263689041 /nfs/dbraw/zinc/68/90/41/1263689041.db2.gz JUGDZJZVOYIHOT-GOSISDBHSA-N 2 2 362.522 0.385 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncc(Cl)n1C ZINC001497057930 1263913484 /nfs/dbraw/zinc/91/34/84/1263913484.db2.gz MKRKALAZPBNUTA-IJLUTSLNSA-N 2 2 366.853 0.177 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001321856033 1264082254 /nfs/dbraw/zinc/08/22/54/1264082254.db2.gz JLNDWOHJJWFGGB-GJZGRUSLSA-N 2 2 363.462 0.005 20 0 FCADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942169 1264106015 /nfs/dbraw/zinc/10/60/15/1264106015.db2.gz SXMCBYIAXVNEHL-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942169 1264106022 /nfs/dbraw/zinc/10/60/22/1264106022.db2.gz SXMCBYIAXVNEHL-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942172 1264106225 /nfs/dbraw/zinc/10/62/25/1264106225.db2.gz SXMCBYIAXVNEHL-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942172 1264106229 /nfs/dbraw/zinc/10/62/29/1264106229.db2.gz SXMCBYIAXVNEHL-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1c[nH+]cn1C ZINC001580400922 1278225156 /nfs/dbraw/zinc/22/51/56/1278225156.db2.gz UYYRVCJCLPGOOC-LLVKDONJSA-N 2 2 372.408 0.576 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001323502677 1264442781 /nfs/dbraw/zinc/44/27/81/1264442781.db2.gz WSWVYQGUEAYZSC-WMZOPIPTSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001323502677 1264442783 /nfs/dbraw/zinc/44/27/83/1264442783.db2.gz WSWVYQGUEAYZSC-WMZOPIPTSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001323502677 1264442786 /nfs/dbraw/zinc/44/27/86/1264442786.db2.gz WSWVYQGUEAYZSC-WMZOPIPTSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001323502677 1264442789 /nfs/dbraw/zinc/44/27/89/1264442789.db2.gz WSWVYQGUEAYZSC-WMZOPIPTSA-N 2 2 356.470 0.986 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC001324906789 1264733486 /nfs/dbraw/zinc/73/34/86/1264733486.db2.gz OIOLTCYRVFSHBC-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC001324906789 1264733488 /nfs/dbraw/zinc/73/34/88/1264733488.db2.gz OIOLTCYRVFSHBC-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC001324906789 1264733499 /nfs/dbraw/zinc/73/34/99/1264733499.db2.gz OIOLTCYRVFSHBC-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC001324906789 1264733506 /nfs/dbraw/zinc/73/35/06/1264733506.db2.gz OIOLTCYRVFSHBC-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532330 1264920045 /nfs/dbraw/zinc/92/00/45/1264920045.db2.gz XAJFJTFOALNFDI-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532330 1264920050 /nfs/dbraw/zinc/92/00/50/1264920050.db2.gz XAJFJTFOALNFDI-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH+]cn1C ZINC001580406278 1278239566 /nfs/dbraw/zinc/23/95/66/1278239566.db2.gz DIYABOTWYMWBAF-LLVKDONJSA-N 2 2 372.408 0.576 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OC)[NH+](C)C ZINC001513401418 1265102352 /nfs/dbraw/zinc/10/23/52/1265102352.db2.gz XRJAIUVOLWHQFA-HZSPNIEDSA-N 2 2 351.451 0.025 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC001327005636 1265216245 /nfs/dbraw/zinc/21/62/45/1265216245.db2.gz SSKOVDOZVZZACI-CQSZACIVSA-N 2 2 358.402 0.180 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c(C)[nH+]1 ZINC001513637797 1265248262 /nfs/dbraw/zinc/24/82/62/1265248262.db2.gz BIIKJFSUOVHWHK-CVEARBPZSA-N 2 2 362.474 0.650 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCC1 ZINC001327472813 1265334389 /nfs/dbraw/zinc/33/43/89/1265334389.db2.gz UQJRVQBZGVZSJF-UHFFFAOYSA-N 2 2 355.442 0.935 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332690969 1266461140 /nfs/dbraw/zinc/46/11/40/1266461140.db2.gz OXKIPYNZUDCREC-VCBZYWHSSA-N 2 2 359.474 0.714 20 0 FCADLP C(=C/CN1CC[NH+]([C@H]2CCOC2)CC1)\CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333570981 1266634424 /nfs/dbraw/zinc/63/44/24/1266634424.db2.gz DVWBZTAKAIDUDN-FWDLARJDSA-N 2 2 364.534 0.356 20 0 FCADLP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC001334172281 1266864561 /nfs/dbraw/zinc/86/45/61/1266864561.db2.gz NEOXWMBVHDQMRC-CQSZACIVSA-N 2 2 368.503 0.816 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001548488575 1267726945 /nfs/dbraw/zinc/72/69/45/1267726945.db2.gz LHNNHIUIFFHMIL-LJQANCHMSA-N 2 2 361.486 0.569 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC001549153487 1267829907 /nfs/dbraw/zinc/82/99/07/1267829907.db2.gz QUSOTDHXCMCYMF-CXUUEIJPSA-N 2 2 360.462 0.664 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC001549153487 1267829913 /nfs/dbraw/zinc/82/99/13/1267829913.db2.gz QUSOTDHXCMCYMF-CXUUEIJPSA-N 2 2 360.462 0.664 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549155251 1267833396 /nfs/dbraw/zinc/83/33/96/1267833396.db2.gz KXLJHSMHYXLTJP-JKIFEVAISA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001549157952 1267837022 /nfs/dbraw/zinc/83/70/22/1267837022.db2.gz DIBJBMBAXIHQSP-YJBOKZPZSA-N 2 2 374.489 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001549157922 1267837359 /nfs/dbraw/zinc/83/73/59/1267837359.db2.gz DIBJBMBAXIHQSP-MAUKXSAKSA-N 2 2 374.489 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001549158321 1267837606 /nfs/dbraw/zinc/83/76/06/1267837606.db2.gz IVTWFMHEGBHEFS-UMPJEAMMSA-N 2 2 360.462 0.666 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001549158321 1267837622 /nfs/dbraw/zinc/83/76/22/1267837622.db2.gz IVTWFMHEGBHEFS-UMPJEAMMSA-N 2 2 360.462 0.666 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549157889 1267838373 /nfs/dbraw/zinc/83/83/73/1267838373.db2.gz COYDTPYTOWGUKE-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549157889 1267838389 /nfs/dbraw/zinc/83/83/89/1267838389.db2.gz COYDTPYTOWGUKE-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001549160582 1267840752 /nfs/dbraw/zinc/84/07/52/1267840752.db2.gz DSLYMUISGVKVKO-LJHODMEESA-N 2 2 374.489 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001549160582 1267840771 /nfs/dbraw/zinc/84/07/71/1267840771.db2.gz DSLYMUISGVKVKO-LJHODMEESA-N 2 2 374.489 0.867 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549163027 1267843657 /nfs/dbraw/zinc/84/36/57/1267843657.db2.gz SRDNFGUGBQYNEN-VBQJREDUSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001549176449 1267853742 /nfs/dbraw/zinc/85/37/42/1267853742.db2.gz GJRLCKPRKUPEHA-RLFYNMQTSA-N 2 2 374.489 0.913 20 0 FCADLP CCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CC)C1 ZINC001549336053 1267902632 /nfs/dbraw/zinc/90/26/32/1267902632.db2.gz DQXWLZXHZOKXQV-VBQJREDUSA-N 2 2 362.478 0.866 20 0 FCADLP CCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CC)C1 ZINC001549336053 1267902639 /nfs/dbraw/zinc/90/26/39/1267902639.db2.gz DQXWLZXHZOKXQV-VBQJREDUSA-N 2 2 362.478 0.866 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549490717 1267925604 /nfs/dbraw/zinc/92/56/04/1267925604.db2.gz HBAKLUUGIQWNHR-IKGGRYGDSA-N 2 2 351.491 0.714 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1n1ccnn1 ZINC001549664146 1267975832 /nfs/dbraw/zinc/97/58/32/1267975832.db2.gz JBOJJWGAJNUBEW-ZACQAIPSSA-N 2 2 362.478 0.235 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1n1ccnn1 ZINC001549664146 1267975850 /nfs/dbraw/zinc/97/58/50/1267975850.db2.gz JBOJJWGAJNUBEW-ZACQAIPSSA-N 2 2 362.478 0.235 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C[C@H]1n1ccnn1 ZINC001549824688 1268006852 /nfs/dbraw/zinc/00/68/52/1268006852.db2.gz HIYSKFVWIDJVBS-RCCFBDPRSA-N 2 2 369.473 0.961 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001549824688 1268006862 /nfs/dbraw/zinc/00/68/62/1268006862.db2.gz HIYSKFVWIDJVBS-RCCFBDPRSA-N 2 2 369.473 0.961 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001550000961 1268041603 /nfs/dbraw/zinc/04/16/03/1268041603.db2.gz JASVXEWNCCLSAQ-MKXGPGLRSA-N 2 2 366.550 0.969 20 0 FCADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)CC1 ZINC001550005047 1268044349 /nfs/dbraw/zinc/04/43/49/1268044349.db2.gz RILDLUUTCKDQPO-QRVBRYPASA-N 2 2 364.534 0.582 20 0 FCADLP CC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC001550614880 1268140137 /nfs/dbraw/zinc/14/01/37/1268140137.db2.gz NGYKTCUQKBAPDC-IRXDYDNUSA-N 2 2 351.491 0.953 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001550745677 1268160398 /nfs/dbraw/zinc/16/03/98/1268160398.db2.gz SQAQXMIUGZMZCS-QBIMZIAESA-N 2 2 360.462 0.667 20 0 FCADLP [NH3+][C@H]1c2ccccc2C[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001551494385 1268261159 /nfs/dbraw/zinc/26/11/59/1268261159.db2.gz YOYFNQRNTHIMAM-MOPGFXCFSA-N 2 2 366.469 0.971 20 0 FCADLP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001551543448 1268264582 /nfs/dbraw/zinc/26/45/82/1268264582.db2.gz UJHLCFCCLKOZGX-SNPRPXQTSA-N 2 2 362.396 0.645 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C[S@@](C)=O)n3C)CC2)CC1 ZINC001339637158 1268290076 /nfs/dbraw/zinc/29/00/76/1268290076.db2.gz XZFSJVKEJUOQIL-RUZDIDTESA-N 2 2 368.551 0.690 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C[S@@](C)=O)n3C)CC2)CC1 ZINC001339637158 1268290081 /nfs/dbraw/zinc/29/00/81/1268290081.db2.gz XZFSJVKEJUOQIL-RUZDIDTESA-N 2 2 368.551 0.690 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937512 1268312230 /nfs/dbraw/zinc/31/22/30/1268312230.db2.gz MEOLLCSJCREOBC-QLFBSQMISA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937512 1268312240 /nfs/dbraw/zinc/31/22/40/1268312240.db2.gz MEOLLCSJCREOBC-QLFBSQMISA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937512 1268312249 /nfs/dbraw/zinc/31/22/49/1268312249.db2.gz MEOLLCSJCREOBC-QLFBSQMISA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937512 1268312259 /nfs/dbraw/zinc/31/22/59/1268312259.db2.gz MEOLLCSJCREOBC-QLFBSQMISA-N 2 2 362.478 0.204 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001552077989 1268360735 /nfs/dbraw/zinc/36/07/35/1268360735.db2.gz GRSPGXGXHIRDQK-UBDQQSCGSA-N 2 2 366.506 0.648 20 0 FCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)cn1 ZINC001552087305 1268366489 /nfs/dbraw/zinc/36/64/89/1268366489.db2.gz MNQRCASMXAIMIP-INIZCTEOSA-N 2 2 372.477 0.377 20 0 FCADLP CCn1cc(C[N@H+]2CCCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)cn1 ZINC001552087305 1268366496 /nfs/dbraw/zinc/36/64/96/1268366496.db2.gz MNQRCASMXAIMIP-INIZCTEOSA-N 2 2 372.477 0.377 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC001552167782 1268399717 /nfs/dbraw/zinc/39/97/17/1268399717.db2.gz JDFCNSQDDXLBFC-XDKFSHSGSA-N 2 2 361.490 0.211 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC001552169126 1268400648 /nfs/dbraw/zinc/40/06/48/1268400648.db2.gz WHFVUNXVNYRSLM-UKRRQHHQSA-N 2 2 359.434 0.109 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1)Nc1ccccc1 ZINC001552199424 1268407223 /nfs/dbraw/zinc/40/72/23/1268407223.db2.gz DYKCDIBUFVHYMI-QRWLVFNGSA-N 2 2 372.469 0.442 20 0 FCADLP CCn1c(CCn2cc[nH+]c2C)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001340037863 1268413284 /nfs/dbraw/zinc/41/32/84/1268413284.db2.gz MOEKVKUYHAUQQC-MRXNPFEDSA-N 2 2 359.478 0.957 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC001340118190 1268441155 /nfs/dbraw/zinc/44/11/55/1268441155.db2.gz GNJCNPLXQWDHBI-CRAIPNDOSA-N 2 2 361.490 0.776 20 0 FCADLP CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001552335908 1268443344 /nfs/dbraw/zinc/44/33/44/1268443344.db2.gz AGYKIRXYZDMVID-BRWVUGGUSA-N 2 2 354.495 0.635 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001580499761 1278409704 /nfs/dbraw/zinc/40/97/04/1278409704.db2.gz UCUNUBAGERLMGN-HDJSIYSDSA-N 2 2 366.429 0.878 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC001552372554 1268455968 /nfs/dbraw/zinc/45/59/68/1268455968.db2.gz XEUSMOBBJKCCLA-YOEHRIQHSA-N 2 2 372.429 0.899 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001552420501 1268459983 /nfs/dbraw/zinc/45/99/83/1268459983.db2.gz LBXXJRORFWNRLB-MRXNPFEDSA-N 2 2 359.474 0.626 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CCO1 ZINC001552693109 1268521812 /nfs/dbraw/zinc/52/18/12/1268521812.db2.gz NIRKGHNUWURTKV-ZFWWWQNUSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CCO1 ZINC001552693109 1268521820 /nfs/dbraw/zinc/52/18/20/1268521820.db2.gz NIRKGHNUWURTKV-ZFWWWQNUSA-N 2 2 350.467 0.561 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC001552691244 1268522198 /nfs/dbraw/zinc/52/21/98/1268522198.db2.gz QGQJCYYEIJPWLR-PVAVHDDUSA-N 2 2 364.494 0.807 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001580502422 1278415434 /nfs/dbraw/zinc/41/54/34/1278415434.db2.gz VXWHEKQQSYLWCS-OAHLLOKOSA-N 2 2 366.429 0.831 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001580502422 1278415438 /nfs/dbraw/zinc/41/54/38/1278415438.db2.gz VXWHEKQQSYLWCS-OAHLLOKOSA-N 2 2 366.429 0.831 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](CCCF)CC2)n1 ZINC001552711954 1268530594 /nfs/dbraw/zinc/53/05/94/1268530594.db2.gz LZZYBZYOVSMPMH-HNNXBMFYSA-N 2 2 353.442 0.104 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](CCCF)CC2)n1 ZINC001552711954 1268530599 /nfs/dbraw/zinc/53/05/99/1268530599.db2.gz LZZYBZYOVSMPMH-HNNXBMFYSA-N 2 2 353.442 0.104 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723226 1268535607 /nfs/dbraw/zinc/53/56/07/1268535607.db2.gz VZPGXHUZXAPZIU-SJLPKXTDSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723226 1268535612 /nfs/dbraw/zinc/53/56/12/1268535612.db2.gz VZPGXHUZXAPZIU-SJLPKXTDSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001552723226 1268535619 /nfs/dbraw/zinc/53/56/19/1268535619.db2.gz VZPGXHUZXAPZIU-SJLPKXTDSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001552723226 1268535626 /nfs/dbraw/zinc/53/56/26/1268535626.db2.gz VZPGXHUZXAPZIU-SJLPKXTDSA-N 2 2 369.469 0.903 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813731 1268554005 /nfs/dbraw/zinc/55/40/05/1268554005.db2.gz SARABVXYFVBLIS-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813731 1268554009 /nfs/dbraw/zinc/55/40/09/1268554009.db2.gz SARABVXYFVBLIS-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001552813731 1268554013 /nfs/dbraw/zinc/55/40/13/1268554013.db2.gz SARABVXYFVBLIS-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001552813731 1268554016 /nfs/dbraw/zinc/55/40/16/1268554016.db2.gz SARABVXYFVBLIS-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813738 1268554271 /nfs/dbraw/zinc/55/42/71/1268554271.db2.gz SARABVXYFVBLIS-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[N@H+]1CCC[C@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813738 1268554277 /nfs/dbraw/zinc/55/42/77/1268554277.db2.gz SARABVXYFVBLIS-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001552813738 1268554281 /nfs/dbraw/zinc/55/42/81/1268554281.db2.gz SARABVXYFVBLIS-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001552813738 1268554289 /nfs/dbraw/zinc/55/42/89/1268554289.db2.gz SARABVXYFVBLIS-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC(F)(F)C1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552838950 1268556333 /nfs/dbraw/zinc/55/63/33/1268556333.db2.gz WCQYRRVLGDLLHI-MRVPVSSYSA-N 2 2 364.347 0.867 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC(F)(F)C1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552838399 1268556906 /nfs/dbraw/zinc/55/69/06/1268556906.db2.gz MCJBLENUJDUALN-SFYZADRCSA-N 2 2 350.320 0.477 20 0 FCADLP O=C(CCNC(=O)[C@@]12CCC[C@H]1[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC001552832302 1268557397 /nfs/dbraw/zinc/55/73/97/1268557397.db2.gz BSABYHLHEACPQR-OXQOHEQNSA-N 2 2 371.485 0.769 20 0 FCADLP O=C([C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[NH+](C2CCCC2)CC1 ZINC001553064928 1268586010 /nfs/dbraw/zinc/58/60/10/1268586010.db2.gz PDXCMIKFHNZIML-ZWKOTPCHSA-N 2 2 351.491 0.953 20 0 FCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553076957 1268588357 /nfs/dbraw/zinc/58/83/57/1268588357.db2.gz ZYSIVQUIRQOSRF-QZTJIDSGSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001553414695 1268647378 /nfs/dbraw/zinc/64/73/78/1268647378.db2.gz RWCDAFSURZZNGS-FTWQHDNSSA-N 2 2 359.470 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001553414695 1268647390 /nfs/dbraw/zinc/64/73/90/1268647390.db2.gz RWCDAFSURZZNGS-FTWQHDNSSA-N 2 2 359.470 0.772 20 0 FCADLP O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001340766315 1268648971 /nfs/dbraw/zinc/64/89/71/1268648971.db2.gz AFIDGZUPTBJJLN-KRWDZBQOSA-N 2 2 350.488 0.756 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450245 1268653634 /nfs/dbraw/zinc/65/36/34/1268653634.db2.gz ITFIGLJHLBAEOG-WBVHZDCISA-N 3 2 365.522 0.223 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450245 1268653641 /nfs/dbraw/zinc/65/36/41/1268653641.db2.gz ITFIGLJHLBAEOG-WBVHZDCISA-N 3 2 365.522 0.223 20 0 FCADLP CC[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001340922524 1268710383 /nfs/dbraw/zinc/71/03/83/1268710383.db2.gz MIGUTUJVHUIADQ-ZACQAIPSSA-N 2 2 368.522 0.722 20 0 FCADLP CC[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001340922524 1268710386 /nfs/dbraw/zinc/71/03/86/1268710386.db2.gz MIGUTUJVHUIADQ-ZACQAIPSSA-N 2 2 368.522 0.722 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)N(C)C2 ZINC001554034069 1268745470 /nfs/dbraw/zinc/74/54/70/1268745470.db2.gz XTCKDFSLELSFBB-HNNXBMFYSA-N 2 2 352.402 0.928 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001341018917 1268746392 /nfs/dbraw/zinc/74/63/92/1268746392.db2.gz DBXACTSDSGDSFW-HXUWFJFHSA-N 2 2 374.485 0.794 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001554036185 1268746768 /nfs/dbraw/zinc/74/67/68/1268746768.db2.gz UBCQELFSLYLMRJ-WBVHZDCISA-N 2 2 367.413 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001341150748 1268811501 /nfs/dbraw/zinc/81/15/01/1268811501.db2.gz DWDPCMHMHRCGFI-GOEBONIOSA-N 2 2 359.474 0.662 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001341627887 1269117775 /nfs/dbraw/zinc/11/77/75/1269117775.db2.gz UHALWVVYEGBCPM-GOSISDBHSA-N 2 2 358.486 0.693 20 0 FCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3C[NH2+]CCN3C)CCCC2)no1 ZINC001341672330 1269145077 /nfs/dbraw/zinc/14/50/77/1269145077.db2.gz DITQVRPNIRYSAL-CQSZACIVSA-N 2 2 364.494 0.701 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3COCCO3)CC2)CC1 ZINC001563700832 1269397224 /nfs/dbraw/zinc/39/72/24/1269397224.db2.gz CZETXAPMFNHESC-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H]3COCCO3)CC2)CC1 ZINC001563700832 1269397236 /nfs/dbraw/zinc/39/72/36/1269397236.db2.gz CZETXAPMFNHESC-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP CN(C)C(=O)[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076867 1269407801 /nfs/dbraw/zinc/40/78/01/1269407801.db2.gz IGMBGRYIYYJAJD-LSDHHAIUSA-N 2 2 351.495 0.275 20 0 FCADLP CN(C)C(=O)[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076867 1269407805 /nfs/dbraw/zinc/40/78/05/1269407805.db2.gz IGMBGRYIYYJAJD-LSDHHAIUSA-N 2 2 351.495 0.275 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001580584212 1278526083 /nfs/dbraw/zinc/52/60/83/1278526083.db2.gz XERMUYIKHFNAMQ-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2O)CCC1 ZINC001573004942 1270488120 /nfs/dbraw/zinc/48/81/20/1270488120.db2.gz VVYFMKUFAPPFTJ-HIFRSBDPSA-N 2 2 371.441 0.120 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(N3CC[NH2+]CC3)nnc2C(C)(C)C)CC1 ZINC001573370923 1270764879 /nfs/dbraw/zinc/76/48/79/1270764879.db2.gz OTYLXNOETBGEOK-UHFFFAOYSA-N 2 2 363.510 0.149 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574251469 1271119841 /nfs/dbraw/zinc/11/98/41/1271119841.db2.gz FCIBYWJDVWTWTD-UHFFFAOYSA-N 2 2 357.462 0.850 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001574251469 1271119844 /nfs/dbraw/zinc/11/98/44/1271119844.db2.gz FCIBYWJDVWTWTD-UHFFFAOYSA-N 2 2 357.462 0.850 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255929 1271127577 /nfs/dbraw/zinc/12/75/77/1271127577.db2.gz VDFOYLOKGIBFCL-QGZVFWFLSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255929 1271127583 /nfs/dbraw/zinc/12/75/83/1271127583.db2.gz VDFOYLOKGIBFCL-QGZVFWFLSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260397 1271131290 /nfs/dbraw/zinc/13/12/90/1271131290.db2.gz HTKRQSFKGJXYPT-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260397 1271131297 /nfs/dbraw/zinc/13/12/97/1271131297.db2.gz HTKRQSFKGJXYPT-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260397 1271131303 /nfs/dbraw/zinc/13/13/03/1271131303.db2.gz HTKRQSFKGJXYPT-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260397 1271131308 /nfs/dbraw/zinc/13/13/08/1271131308.db2.gz HTKRQSFKGJXYPT-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574296382 1271172329 /nfs/dbraw/zinc/17/23/29/1271172329.db2.gz GWUCILOKVJOKIP-MRXNPFEDSA-N 2 2 360.462 0.725 20 0 FCADLP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574366230 1271234433 /nfs/dbraw/zinc/23/44/33/1271234433.db2.gz YDOQZKBSKXPMGG-ZBFHGGJFSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574366230 1271234440 /nfs/dbraw/zinc/23/44/40/1271234440.db2.gz YDOQZKBSKXPMGG-ZBFHGGJFSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574782203 1271516481 /nfs/dbraw/zinc/51/64/81/1271516481.db2.gz WDDMZOQUVMKAOP-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574782203 1271516486 /nfs/dbraw/zinc/51/64/86/1271516486.db2.gz WDDMZOQUVMKAOP-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574782203 1271516489 /nfs/dbraw/zinc/51/64/89/1271516489.db2.gz WDDMZOQUVMKAOP-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574782203 1271516495 /nfs/dbraw/zinc/51/64/95/1271516495.db2.gz WDDMZOQUVMKAOP-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001574781732 1271517559 /nfs/dbraw/zinc/51/75/59/1271517559.db2.gz NMEKVZUPWZKOOU-LLVKDONJSA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001574781732 1271517566 /nfs/dbraw/zinc/51/75/66/1271517566.db2.gz NMEKVZUPWZKOOU-LLVKDONJSA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574890619 1271651611 /nfs/dbraw/zinc/65/16/11/1271651611.db2.gz QMTVMGUVSPSDPO-VXGBXAGGSA-N 2 2 355.406 0.448 20 0 FCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574889378 1271651629 /nfs/dbraw/zinc/65/16/29/1271651629.db2.gz NEFRJASZTHNFKO-STQMWFEESA-N 2 2 369.433 0.696 20 0 FCADLP CC(C)(C)OC(=O)[C@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC001575148398 1271749970 /nfs/dbraw/zinc/74/99/70/1271749970.db2.gz GZQKJUVAEHXXFP-KBXCAEBGSA-N 2 2 353.463 0.383 20 0 FCADLP CC(C)(C)OC(=O)[C@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC001575148401 1271750010 /nfs/dbraw/zinc/75/00/10/1271750010.db2.gz GZQKJUVAEHXXFP-RDTXWAMCSA-N 2 2 353.463 0.383 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575378711 1272022034 /nfs/dbraw/zinc/02/20/34/1272022034.db2.gz JCBWFVFEYKLCAU-GHMZBOCLSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575380883 1272023790 /nfs/dbraw/zinc/02/37/90/1272023790.db2.gz YCUFHCIXBLWIJQ-NWDGAFQWSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575388715 1272035933 /nfs/dbraw/zinc/03/59/33/1272035933.db2.gz YSALARXLAHASTL-QWHCGFSZSA-N 2 2 368.445 0.826 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575393249 1272041027 /nfs/dbraw/zinc/04/10/27/1272041027.db2.gz VKFGQSMPRZOTHJ-RYUDHWBXSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566798 1272203153 /nfs/dbraw/zinc/20/31/53/1272203153.db2.gz NOKHLAPVBVLFNI-HOCLYGCPSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566798 1272203154 /nfs/dbraw/zinc/20/31/54/1272203154.db2.gz NOKHLAPVBVLFNI-HOCLYGCPSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566798 1272203158 /nfs/dbraw/zinc/20/31/58/1272203158.db2.gz NOKHLAPVBVLFNI-HOCLYGCPSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566798 1272203165 /nfs/dbraw/zinc/20/31/65/1272203165.db2.gz NOKHLAPVBVLFNI-HOCLYGCPSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CCC([NH2+]Cc2cnn[nH]2)CC1 ZINC001575567760 1272204552 /nfs/dbraw/zinc/20/45/52/1272204552.db2.gz UYYHDXIMBYXJMQ-NFOMZHRRSA-N 2 2 350.467 0.290 20 0 FCADLP C[C@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001575797204 1272447089 /nfs/dbraw/zinc/44/70/89/1272447089.db2.gz JPRCXHDEPMHKQI-QGZVFWFLSA-N 2 2 367.417 0.231 20 0 FCADLP C[C@@]1(NC(=O)CCn2cc[nH+]c2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575815343 1272469978 /nfs/dbraw/zinc/46/99/78/1272469978.db2.gz YHAZQRPVAFJLPJ-QGZVFWFLSA-N 2 2 367.417 0.634 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576061993 1272810651 /nfs/dbraw/zinc/81/06/51/1272810651.db2.gz YATVMOJZMZIIBW-CJNGLKHVSA-N 2 2 366.429 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257309 1273041556 /nfs/dbraw/zinc/04/15/56/1273041556.db2.gz YFUXLGIABFNSRL-HIFRSBDPSA-N 2 2 370.461 0.428 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)[NH+](C)C ZINC001576515855 1273398240 /nfs/dbraw/zinc/39/82/40/1273398240.db2.gz HBPKWGFAEBGBEW-VNHYZAJKSA-N 2 2 370.461 0.497 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557671 1273437744 /nfs/dbraw/zinc/43/77/44/1273437744.db2.gz SOYFGZFDMXUSJB-KRWDZBQOSA-N 2 2 364.494 0.464 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557671 1273437748 /nfs/dbraw/zinc/43/77/48/1273437748.db2.gz SOYFGZFDMXUSJB-KRWDZBQOSA-N 2 2 364.494 0.464 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@H+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557671 1273437753 /nfs/dbraw/zinc/43/77/53/1273437753.db2.gz SOYFGZFDMXUSJB-KRWDZBQOSA-N 2 2 364.494 0.464 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@@H+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557671 1273437756 /nfs/dbraw/zinc/43/77/56/1273437756.db2.gz SOYFGZFDMXUSJB-KRWDZBQOSA-N 2 2 364.494 0.464 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC001576720526 1273590246 /nfs/dbraw/zinc/59/02/46/1273590246.db2.gz MNNCBWZHVFXHKE-KRWDZBQOSA-N 2 2 364.494 0.382 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576720526 1273590255 /nfs/dbraw/zinc/59/02/55/1273590255.db2.gz MNNCBWZHVFXHKE-KRWDZBQOSA-N 2 2 364.494 0.382 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC001576720526 1273590261 /nfs/dbraw/zinc/59/02/61/1273590261.db2.gz MNNCBWZHVFXHKE-KRWDZBQOSA-N 2 2 364.494 0.382 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576720526 1273590271 /nfs/dbraw/zinc/59/02/71/1273590271.db2.gz MNNCBWZHVFXHKE-KRWDZBQOSA-N 2 2 364.494 0.382 20 0 FCADLP CC[C@@H](CNC(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576818096 1273740302 /nfs/dbraw/zinc/74/03/02/1273740302.db2.gz XZLOKPXBNDONGH-ZDUSSCGKSA-N 2 2 369.433 0.667 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576834616 1273762978 /nfs/dbraw/zinc/76/29/78/1273762978.db2.gz GJQODRHTFAIQEL-GFCCVEGCSA-N 2 2 355.406 0.195 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001576860267 1273820718 /nfs/dbraw/zinc/82/07/18/1273820718.db2.gz HUBFUMAFQNNCGT-RRQGHBQHSA-N 2 2 350.438 0.983 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001576860267 1273820724 /nfs/dbraw/zinc/82/07/24/1273820724.db2.gz HUBFUMAFQNNCGT-RRQGHBQHSA-N 2 2 350.438 0.983 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)N(CC)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577562631 1274513221 /nfs/dbraw/zinc/51/32/21/1274513221.db2.gz CZKRSHPMWROPMN-CYBMUJFWSA-N 2 2 360.466 0.935 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)N(CC)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577562631 1274513225 /nfs/dbraw/zinc/51/32/25/1274513225.db2.gz CZKRSHPMWROPMN-CYBMUJFWSA-N 2 2 360.466 0.935 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC001577577720 1274544837 /nfs/dbraw/zinc/54/48/37/1274544837.db2.gz DBMXSECCTIDFFN-RDJZCZTQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC001577577720 1274544845 /nfs/dbraw/zinc/54/48/45/1274544845.db2.gz DBMXSECCTIDFFN-RDJZCZTQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC001577577720 1274544849 /nfs/dbraw/zinc/54/48/49/1274544849.db2.gz DBMXSECCTIDFFN-RDJZCZTQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC001577577720 1274544856 /nfs/dbraw/zinc/54/48/56/1274544856.db2.gz DBMXSECCTIDFFN-RDJZCZTQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1cn[nH]n1)CC2 ZINC001577577753 1274545035 /nfs/dbraw/zinc/54/50/35/1274545035.db2.gz DXQNWCZPMFKUPF-MRXNPFEDSA-N 2 2 373.461 0.497 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC2(CO1)CC[NH+](Cc1c[nH]nn1)CC2 ZINC001577577753 1274545041 /nfs/dbraw/zinc/54/50/41/1274545041.db2.gz DXQNWCZPMFKUPF-MRXNPFEDSA-N 2 2 373.461 0.497 20 0 FCADLP CC[NH+](CC)CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577879784 1275077620 /nfs/dbraw/zinc/07/76/20/1275077620.db2.gz NBWLOKBSFSNJCK-CYBMUJFWSA-N 2 2 358.450 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577891841 1275100975 /nfs/dbraw/zinc/10/09/75/1275100975.db2.gz HMHKPZLYZWZNME-HNNXBMFYSA-N 2 2 372.477 0.935 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577946980 1275167547 /nfs/dbraw/zinc/16/75/47/1275167547.db2.gz QXXLJESXZPJVEG-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577946980 1275167550 /nfs/dbraw/zinc/16/75/50/1275167550.db2.gz QXXLJESXZPJVEG-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP O=C(NCC1CC([NH2+]Cc2cnn[nH]2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577999772 1275252915 /nfs/dbraw/zinc/25/29/15/1275252915.db2.gz VQJKISNZEFUFNN-UHFFFAOYSA-N 2 2 352.402 0.684 20 0 FCADLP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578004820 1275264923 /nfs/dbraw/zinc/26/49/23/1275264923.db2.gz RGOSBOAZWJFJEJ-UHFFFAOYSA-N 2 2 363.491 0.962 20 0 FCADLP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578004820 1275264930 /nfs/dbraw/zinc/26/49/30/1275264930.db2.gz RGOSBOAZWJFJEJ-UHFFFAOYSA-N 2 2 363.491 0.962 20 0 FCADLP O=C(Nc1ccnn1C1C[NH2+]C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001580789328 1278936707 /nfs/dbraw/zinc/93/67/07/1278936707.db2.gz VWSVDCKTTOHVKW-UHFFFAOYSA-N 2 2 356.434 0.210 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H]([NH2+]Cc2cnn[nH]2)C1 ZINC001578041989 1275326845 /nfs/dbraw/zinc/32/68/45/1275326845.db2.gz JIKBCMPFZWRARP-AWEZNQCLSA-N 2 2 352.402 0.780 20 0 FCADLP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001578139019 1275437969 /nfs/dbraw/zinc/43/79/69/1275437969.db2.gz QJKZIVGROOTWGH-LSDHHAIUSA-N 2 2 352.483 0.463 20 0 FCADLP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001578139019 1275437973 /nfs/dbraw/zinc/43/79/73/1275437973.db2.gz QJKZIVGROOTWGH-LSDHHAIUSA-N 2 2 352.483 0.463 20 0 FCADLP CCN(c1cc(C)[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001578183876 1275472622 /nfs/dbraw/zinc/47/26/22/1275472622.db2.gz LLFABTNODUNUJM-CYBMUJFWSA-N 2 2 369.433 0.798 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798374 1276287727 /nfs/dbraw/zinc/28/77/27/1276287727.db2.gz YLZZOYSLWMRUHL-ZBFHGGJFSA-N 2 2 359.426 0.602 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798374 1276287732 /nfs/dbraw/zinc/28/77/32/1276287732.db2.gz YLZZOYSLWMRUHL-ZBFHGGJFSA-N 2 2 359.426 0.602 20 0 FCADLP C[N@H+](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579007791 1276581074 /nfs/dbraw/zinc/58/10/74/1276581074.db2.gz CWJDBRJUGUWAKE-UHFFFAOYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579007791 1276581080 /nfs/dbraw/zinc/58/10/80/1276581080.db2.gz CWJDBRJUGUWAKE-UHFFFAOYSA-N 2 2 370.461 0.831 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001579059251 1276666105 /nfs/dbraw/zinc/66/61/05/1276666105.db2.gz QJMUCGLSVFUWKC-HUUCEWRRSA-N 2 2 358.483 0.090 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001579099397 1276753628 /nfs/dbraw/zinc/75/36/28/1276753628.db2.gz ZVWPAIIOGNFYQU-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001579099397 1276753642 /nfs/dbraw/zinc/75/36/42/1276753642.db2.gz ZVWPAIIOGNFYQU-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP CO[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001579115093 1276781283 /nfs/dbraw/zinc/78/12/83/1276781283.db2.gz WNRISOFNOZHHCM-XHSDSOJGSA-N 2 2 364.494 0.648 20 0 FCADLP CO[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001579115093 1276781288 /nfs/dbraw/zinc/78/12/88/1276781288.db2.gz WNRISOFNOZHHCM-XHSDSOJGSA-N 2 2 364.494 0.648 20 0 FCADLP CN(CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579172127 1276927371 /nfs/dbraw/zinc/92/73/71/1276927371.db2.gz MYARWZSSRLTEBU-LBPRGKRZSA-N 2 2 367.417 0.273 20 0 FCADLP CN(CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579172409 1276927836 /nfs/dbraw/zinc/92/78/36/1276927836.db2.gz RQZURSDSIWLKNF-GFCCVEGCSA-N 2 2 367.417 0.273 20 0 FCADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323331 1277140214 /nfs/dbraw/zinc/14/02/14/1277140214.db2.gz SMJNQHHBKWYUIQ-HNNXBMFYSA-N 2 2 355.446 0.461 20 0 FCADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323331 1277140215 /nfs/dbraw/zinc/14/02/15/1277140215.db2.gz SMJNQHHBKWYUIQ-HNNXBMFYSA-N 2 2 355.446 0.461 20 0 FCADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323153 1277140624 /nfs/dbraw/zinc/14/06/24/1277140624.db2.gz QRDRGIOQRXGLHK-HNNXBMFYSA-N 2 2 355.446 0.461 20 0 FCADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323153 1277140626 /nfs/dbraw/zinc/14/06/26/1277140626.db2.gz QRDRGIOQRXGLHK-HNNXBMFYSA-N 2 2 355.446 0.461 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328825 1277156523 /nfs/dbraw/zinc/15/65/23/1277156523.db2.gz KSQZCTBXTBPWDV-OAHLLOKOSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328825 1277156526 /nfs/dbraw/zinc/15/65/26/1277156526.db2.gz KSQZCTBXTBPWDV-OAHLLOKOSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357596 1277223901 /nfs/dbraw/zinc/22/39/01/1277223901.db2.gz ZEOJJXQIVPVCJD-SGMGOOAPSA-N 2 2 373.486 0.808 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357596 1277223910 /nfs/dbraw/zinc/22/39/10/1277223910.db2.gz ZEOJJXQIVPVCJD-SGMGOOAPSA-N 2 2 373.486 0.808 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357596 1277223914 /nfs/dbraw/zinc/22/39/14/1277223914.db2.gz ZEOJJXQIVPVCJD-SGMGOOAPSA-N 2 2 373.486 0.808 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357596 1277223916 /nfs/dbraw/zinc/22/39/16/1277223916.db2.gz ZEOJJXQIVPVCJD-SGMGOOAPSA-N 2 2 373.486 0.808 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358435 1277227023 /nfs/dbraw/zinc/22/70/23/1277227023.db2.gz DNUGITGFFQZTNO-GJZGRUSLSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358435 1277227026 /nfs/dbraw/zinc/22/70/26/1277227026.db2.gz DNUGITGFFQZTNO-GJZGRUSLSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358884 1277228636 /nfs/dbraw/zinc/22/86/36/1277228636.db2.gz LEVLWRZPQRILFR-CZUORRHYSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358884 1277228638 /nfs/dbraw/zinc/22/86/38/1277228638.db2.gz LEVLWRZPQRILFR-CZUORRHYSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359180 1277231435 /nfs/dbraw/zinc/23/14/35/1277231435.db2.gz PTOGJBUGHVFTTM-DOMZBBRYSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359180 1277231439 /nfs/dbraw/zinc/23/14/39/1277231439.db2.gz PTOGJBUGHVFTTM-DOMZBBRYSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372071 1277253605 /nfs/dbraw/zinc/25/36/05/1277253605.db2.gz ATXSZPCKPPFXPO-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372071 1277253606 /nfs/dbraw/zinc/25/36/06/1277253606.db2.gz ATXSZPCKPPFXPO-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372071 1277253607 /nfs/dbraw/zinc/25/36/07/1277253607.db2.gz ATXSZPCKPPFXPO-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372071 1277253608 /nfs/dbraw/zinc/25/36/08/1277253608.db2.gz ATXSZPCKPPFXPO-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP Cc1nc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC[NH3+])CC2)cc[nH+]1 ZINC001579880463 1277947843 /nfs/dbraw/zinc/94/78/43/1277947843.db2.gz JTMJUSZKQOMTMS-HNNXBMFYSA-N 2 2 372.477 0.903 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1[nH+]ccn1C ZINC001580273025 1278067839 /nfs/dbraw/zinc/06/78/39/1278067839.db2.gz XXVINEYUNWOSKG-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH+]cn1C ZINC001580273824 1278067988 /nfs/dbraw/zinc/06/79/88/1278067988.db2.gz BMPFEXPZAWVCOQ-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CCn1cc[nH+]c1 ZINC001580276738 1278071783 /nfs/dbraw/zinc/07/17/83/1278071783.db2.gz LEOOHIDXGGMBOX-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP Cc1ccc(CNC(=O)C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001714542565 1287325709 /nfs/dbraw/zinc/32/57/09/1287325709.db2.gz JPMKKYKBMZXCJU-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1ccc(CNC(=O)C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001714542565 1287325712 /nfs/dbraw/zinc/32/57/12/1287325712.db2.gz JPMKKYKBMZXCJU-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1ccc(CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001714542565 1287325714 /nfs/dbraw/zinc/32/57/14/1287325714.db2.gz JPMKKYKBMZXCJU-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1ccc(CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1 ZINC001714542565 1287325715 /nfs/dbraw/zinc/32/57/15/1287325715.db2.gz JPMKKYKBMZXCJU-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1cc(N(CCNC(=O)Cn2cc[nH+]c2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580950302 1279156621 /nfs/dbraw/zinc/15/66/21/1279156621.db2.gz LHCQTSFQTMHNDZ-UHFFFAOYSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1cc(N[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996143 1279207340 /nfs/dbraw/zinc/20/73/40/1279207340.db2.gz VZUSEVAZRROJMZ-STQMWFEESA-N 2 2 369.433 0.756 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581006337 1279225455 /nfs/dbraw/zinc/22/54/55/1279225455.db2.gz PCJMCPWGJBUIJX-CYBMUJFWSA-N 2 2 367.417 0.210 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008747 1279231896 /nfs/dbraw/zinc/23/18/96/1279231896.db2.gz PGVKQRRILRAGPZ-ZUZCIYMTSA-N 2 2 367.417 0.217 20 0 FCADLP Cc1cc(NC[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011302 1279237523 /nfs/dbraw/zinc/23/75/23/1279237523.db2.gz HUPCGNVMSHCMRM-NSHDSACASA-N 2 2 355.406 0.217 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581011069 1279237660 /nfs/dbraw/zinc/23/76/60/1279237660.db2.gz BRVVQXWPYPNJCS-LLVKDONJSA-N 2 2 369.433 0.525 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581025899 1279257638 /nfs/dbraw/zinc/25/76/38/1279257638.db2.gz ILRCOOVKNZVUIT-LLVKDONJSA-N 2 2 369.433 0.504 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581025826 1279258335 /nfs/dbraw/zinc/25/83/35/1279258335.db2.gz ZROMNRTTYHKIMY-ARJAWSKDSA-N 2 2 367.417 0.351 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318762 1287354265 /nfs/dbraw/zinc/35/42/65/1287354265.db2.gz UOVBQPXKTZLFSI-AWEZNQCLSA-N 2 2 372.477 0.935 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318762 1287354270 /nfs/dbraw/zinc/35/42/70/1287354270.db2.gz UOVBQPXKTZLFSI-AWEZNQCLSA-N 2 2 372.477 0.935 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337960 1279715106 /nfs/dbraw/zinc/71/51/06/1279715106.db2.gz PJSSMIAMZFYIIC-ABAIWWIYSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581338056 1279715521 /nfs/dbraw/zinc/71/55/21/1279715521.db2.gz ACNJDCRFTUGORT-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581338056 1279715528 /nfs/dbraw/zinc/71/55/28/1279715528.db2.gz ACNJDCRFTUGORT-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581338975 1279720288 /nfs/dbraw/zinc/72/02/88/1279720288.db2.gz XXFPTICPICRPKU-TXEJJXNPSA-N 2 2 372.458 0.870 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581341055 1279724488 /nfs/dbraw/zinc/72/44/88/1279724488.db2.gz ZIFWSJFDEFJIHD-OAHLLOKOSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340889 1279725219 /nfs/dbraw/zinc/72/52/19/1279725219.db2.gz WSOFPLKGZFUEFM-LLVKDONJSA-N 2 2 355.406 0.195 20 0 FCADLP COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccn1 ZINC001716099207 1287372405 /nfs/dbraw/zinc/37/24/05/1287372405.db2.gz BAKMRWMCWXTVGK-RRFJBIMHSA-N 2 2 359.430 0.194 20 0 FCADLP COc1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001716100281 1287372305 /nfs/dbraw/zinc/37/23/05/1287372305.db2.gz NJPGXKZHEGBDMV-USXIJHARSA-N 2 2 358.442 0.799 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562457 1280137700 /nfs/dbraw/zinc/13/77/00/1280137700.db2.gz VCVBBINQXKNDRN-NSHDSACASA-N 2 2 355.406 0.148 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562845 1280139406 /nfs/dbraw/zinc/13/94/06/1280139406.db2.gz DSIHYDOLTFWURK-ZDUSSCGKSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563245 1280140117 /nfs/dbraw/zinc/14/01/17/1280140117.db2.gz HCMIELQOSPDDBK-NWDGAFQWSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581563758 1280140993 /nfs/dbraw/zinc/14/09/93/1280140993.db2.gz QXNSEOAZXMTNHD-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581563758 1280140999 /nfs/dbraw/zinc/14/09/99/1280140999.db2.gz QXNSEOAZXMTNHD-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581564179 1280143162 /nfs/dbraw/zinc/14/31/62/1280143162.db2.gz PPPWWSWDBOECHP-NSHDSACASA-N 2 2 355.406 0.408 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581565933 1280147959 /nfs/dbraw/zinc/14/79/59/1280147959.db2.gz BRVTWRCHGXSKEC-GFCCVEGCSA-N 2 2 369.433 0.586 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@H]2C1 ZINC001717012559 1287402128 /nfs/dbraw/zinc/40/21/28/1287402128.db2.gz LPGFFRLUOJTBDO-YYIAUSFCSA-N 2 2 371.485 0.440 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@H]2C1 ZINC001717012559 1287402129 /nfs/dbraw/zinc/40/21/29/1287402129.db2.gz LPGFFRLUOJTBDO-YYIAUSFCSA-N 2 2 371.485 0.440 20 0 FCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530510 1287408384 /nfs/dbraw/zinc/40/83/84/1287408384.db2.gz GHTFZAISBKHPAG-GFCCVEGCSA-N 2 2 369.433 0.569 20 0 FCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603614490 1287443973 /nfs/dbraw/zinc/44/39/73/1287443973.db2.gz TXTNJDLULMNYTM-STQMWFEESA-N 2 2 369.433 0.666 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001582088643 1281039396 /nfs/dbraw/zinc/03/93/96/1281039396.db2.gz JXIHOMGPNPFJDF-UHFFFAOYSA-N 2 2 367.417 0.421 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582099323 1281055942 /nfs/dbraw/zinc/05/59/42/1281055942.db2.gz OUKOCUTXTMPPHS-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582099323 1281055946 /nfs/dbraw/zinc/05/59/46/1281055946.db2.gz OUKOCUTXTMPPHS-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099427 1281056083 /nfs/dbraw/zinc/05/60/83/1281056083.db2.gz RGEUKBQQOMMGCW-CQSZACIVSA-N 2 2 370.461 0.690 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582100917 1281058499 /nfs/dbraw/zinc/05/84/99/1281058499.db2.gz VDGFAQLYASHFIX-UHFFFAOYSA-N 2 2 373.436 0.650 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582169512 1281136816 /nfs/dbraw/zinc/13/68/16/1281136816.db2.gz VZSXKUQERJCOCH-UHFFFAOYSA-N 2 2 366.429 0.867 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582169512 1281136818 /nfs/dbraw/zinc/13/68/18/1281136818.db2.gz VZSXKUQERJCOCH-UHFFFAOYSA-N 2 2 366.429 0.867 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582169511 1281137437 /nfs/dbraw/zinc/13/74/37/1281137437.db2.gz VYSNTHQACSKJGY-ZDUSSCGKSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582183281 1281160281 /nfs/dbraw/zinc/16/02/81/1281160281.db2.gz ZXCZIXWBPZKMOG-HNNXBMFYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582195367 1281177408 /nfs/dbraw/zinc/17/74/08/1281177408.db2.gz WZIGMUUYXXNWPU-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196644 1281178988 /nfs/dbraw/zinc/17/89/88/1281178988.db2.gz QIZFHYKIVDSUSP-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196644 1281178991 /nfs/dbraw/zinc/17/89/91/1281178991.db2.gz QIZFHYKIVDSUSP-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582197294 1281179972 /nfs/dbraw/zinc/17/99/72/1281179972.db2.gz KTHHOOIQMVUDEL-ZDUSSCGKSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197095 1281180997 /nfs/dbraw/zinc/18/09/97/1281180997.db2.gz DOXHTABYOZCMFU-LBPRGKRZSA-N 2 2 372.458 0.763 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197095 1281180999 /nfs/dbraw/zinc/18/09/99/1281180999.db2.gz DOXHTABYOZCMFU-LBPRGKRZSA-N 2 2 372.458 0.763 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197160 1281181222 /nfs/dbraw/zinc/18/12/22/1281181222.db2.gz GLEVHPDDKYPUMX-UHFFFAOYSA-N 2 2 352.402 0.311 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001582197746 1281181936 /nfs/dbraw/zinc/18/19/36/1281181936.db2.gz XHUHQXGWPCRYAN-OWOJBTEDSA-N 2 2 358.431 0.587 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582197499 1281182135 /nfs/dbraw/zinc/18/21/35/1281182135.db2.gz QQPMSTDJORVBRW-LBPRGKRZSA-N 2 2 353.390 0.101 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197371 1281183223 /nfs/dbraw/zinc/18/32/23/1281183223.db2.gz MLPKTKSFQROTQH-CQSZACIVSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197371 1281183225 /nfs/dbraw/zinc/18/32/25/1281183225.db2.gz MLPKTKSFQROTQH-CQSZACIVSA-N 2 2 366.429 0.702 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC001603944537 1287540912 /nfs/dbraw/zinc/54/09/12/1287540912.db2.gz LALNASKZEJOGLC-GFCCVEGCSA-N 2 2 354.422 0.143 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCc1c[nH+]cn1C ZINC001603944537 1287540916 /nfs/dbraw/zinc/54/09/16/1287540916.db2.gz LALNASKZEJOGLC-GFCCVEGCSA-N 2 2 354.422 0.143 20 0 FCADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810913 1282035134 /nfs/dbraw/zinc/03/51/34/1282035134.db2.gz WCXCGNZEWRYXDN-IAGOWNOFSA-N 2 2 358.446 0.431 20 0 FCADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810913 1282035139 /nfs/dbraw/zinc/03/51/39/1282035139.db2.gz WCXCGNZEWRYXDN-IAGOWNOFSA-N 2 2 358.446 0.431 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001585181046 1282208461 /nfs/dbraw/zinc/20/84/61/1282208461.db2.gz DDTPFDGLJNZDAX-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001585181046 1282208469 /nfs/dbraw/zinc/20/84/69/1282208469.db2.gz DDTPFDGLJNZDAX-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604256965 1287595029 /nfs/dbraw/zinc/59/50/29/1287595029.db2.gz BCCROKKRLOAXSK-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604256965 1287595037 /nfs/dbraw/zinc/59/50/37/1287595037.db2.gz BCCROKKRLOAXSK-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP CC(C)[C@@H](C[NH2+]Cc1nc(-c2nn[nH]n2)cs1)N1CC[NH+](C)CC1 ZINC001589456707 1282885554 /nfs/dbraw/zinc/88/55/54/1282885554.db2.gz LBTRJIABZICOJU-CYBMUJFWSA-N 2 2 350.496 0.685 20 0 FCADLP CCN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]cn1C ZINC001590711619 1283746686 /nfs/dbraw/zinc/74/66/86/1283746686.db2.gz AKLJFWAUAUDNFD-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001682725281 1283761722 /nfs/dbraw/zinc/76/17/22/1283761722.db2.gz JACBWVKPKLIHFM-CGTJXYLNSA-N 2 2 368.522 0.848 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001682725281 1283761732 /nfs/dbraw/zinc/76/17/32/1283761732.db2.gz JACBWVKPKLIHFM-CGTJXYLNSA-N 2 2 368.522 0.848 20 0 FCADLP CN(CCCNC(=O)CCc1c[nH+]cn1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591071770 1284133330 /nfs/dbraw/zinc/13/33/30/1284133330.db2.gz BCBRZWJEZRBKPI-UHFFFAOYSA-N 2 2 369.433 0.571 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001591103076 1284173845 /nfs/dbraw/zinc/17/38/45/1284173845.db2.gz JJYXMEOSNSFCNX-UHFFFAOYSA-N 2 2 358.381 0.520 20 0 FCADLP COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC001591240564 1284386180 /nfs/dbraw/zinc/38/61/80/1284386180.db2.gz MQCFMOHTFCWBLD-INIZCTEOSA-N 2 2 374.445 0.911 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC001604680278 1287726269 /nfs/dbraw/zinc/72/62/69/1287726269.db2.gz MNECRPWLAKGBJG-UHFFFAOYSA-N 2 2 365.463 0.255 20 0 FCADLP Cc1cc(NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592039252 1285081936 /nfs/dbraw/zinc/08/19/36/1285081936.db2.gz YCVMRXWLBCUHCQ-UHFFFAOYSA-N 2 2 367.417 0.292 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592847253 1285757114 /nfs/dbraw/zinc/75/71/14/1285757114.db2.gz XLPXLPVOSDTFGW-UHFFFAOYSA-N 2 2 354.418 0.819 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592847253 1285757117 /nfs/dbraw/zinc/75/71/17/1285757117.db2.gz XLPXLPVOSDTFGW-UHFFFAOYSA-N 2 2 354.418 0.819 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592860097 1285763159 /nfs/dbraw/zinc/76/31/59/1285763159.db2.gz BZMYUYPECUDLHF-UPHRSURJSA-N 2 2 353.390 0.055 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001592938136 1285828979 /nfs/dbraw/zinc/82/89/79/1285828979.db2.gz CRSKPHRPBPPABY-AWEZNQCLSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001593070234 1285962324 /nfs/dbraw/zinc/96/23/24/1285962324.db2.gz FPKURFRIVKANEH-UHFFFAOYSA-N 2 2 370.461 0.690 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001703515973 1286116237 /nfs/dbraw/zinc/11/62/37/1286116237.db2.gz PZZIEVJQGREIMU-GDBMZVCRSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001703515973 1286116244 /nfs/dbraw/zinc/11/62/44/1286116244.db2.gz PZZIEVJQGREIMU-GDBMZVCRSA-N 2 2 361.490 0.956 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1-c1nn[nH]n1 ZINC001609289542 1289055433 /nfs/dbraw/zinc/05/54/33/1289055433.db2.gz JYRLJURXZXZWPX-SNVBAGLBSA-N 2 2 370.421 0.139 20 0 FCADLP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593504227 1286182853 /nfs/dbraw/zinc/18/28/53/1286182853.db2.gz ILOXVWLHCHWDPF-DLBZAZTESA-N 2 2 358.446 0.743 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507281 1286187109 /nfs/dbraw/zinc/18/71/09/1286187109.db2.gz ZHXBGYTWCWXWRE-PVAVHDDUSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507281 1286187112 /nfs/dbraw/zinc/18/71/12/1286187112.db2.gz ZHXBGYTWCWXWRE-PVAVHDDUSA-N 2 2 358.446 0.823 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704601840 1286271163 /nfs/dbraw/zinc/27/11/63/1286271163.db2.gz YBMIZAVPMASOEL-CAOSSQGBSA-N 2 2 359.474 0.677 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704601840 1286271171 /nfs/dbraw/zinc/27/11/71/1286271171.db2.gz YBMIZAVPMASOEL-CAOSSQGBSA-N 2 2 359.474 0.677 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001707169607 1286488610 /nfs/dbraw/zinc/48/86/10/1286488610.db2.gz ZFGQOAIXXAYIKC-KGLIPLIRSA-N 2 2 352.483 0.167 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001707169607 1286488618 /nfs/dbraw/zinc/48/86/18/1286488618.db2.gz ZFGQOAIXXAYIKC-KGLIPLIRSA-N 2 2 352.483 0.167 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001707225792 1287073629 /nfs/dbraw/zinc/07/36/29/1287073629.db2.gz ZJLFPBMEOQOHKM-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001707225792 1287073640 /nfs/dbraw/zinc/07/36/40/1287073640.db2.gz ZJLFPBMEOQOHKM-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001707225792 1287073653 /nfs/dbraw/zinc/07/36/53/1287073653.db2.gz ZJLFPBMEOQOHKM-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(COC)no3)CC[C@@H]2C1 ZINC001707225792 1287073661 /nfs/dbraw/zinc/07/36/61/1287073661.db2.gz ZJLFPBMEOQOHKM-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001605738016 1288068408 /nfs/dbraw/zinc/06/84/08/1288068408.db2.gz VWVZWAVLEPEXEK-SNVBAGLBSA-N 2 2 355.406 0.183 20 0 FCADLP O=C(C[NH2+]Cc1cccc(-c2nn[nH]n2)n1)NCC[NH+]1CCCCCC1 ZINC001606554240 1288382420 /nfs/dbraw/zinc/38/24/20/1288382420.db2.gz BXOLFFSWFDDWFV-UHFFFAOYSA-N 2 2 358.450 0.344 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001606619941 1288412549 /nfs/dbraw/zinc/41/25/49/1288412549.db2.gz FJZLBBCPZOZHGC-UHFFFAOYSA-N 2 2 372.458 0.906 20 0 FCADLP COCCc1noc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)n1 ZINC001724785150 1288450281 /nfs/dbraw/zinc/45/02/81/1288450281.db2.gz IHQOUAVYHCKHEN-ZIAGYGMSSA-N 2 2 365.478 0.727 20 0 FCADLP COCCc1noc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)n1 ZINC001724785150 1288450285 /nfs/dbraw/zinc/45/02/85/1288450285.db2.gz IHQOUAVYHCKHEN-ZIAGYGMSSA-N 2 2 365.478 0.727 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001691886001 1289333451 /nfs/dbraw/zinc/33/34/51/1289333451.db2.gz VZNJUHKVTBGUMF-GOEBONIOSA-N 2 2 360.458 0.740 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001691937659 1289346276 /nfs/dbraw/zinc/34/62/76/1289346276.db2.gz ADPOJNVGWUPILY-QWHCGFSZSA-N 2 2 358.450 0.359 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]([NH3+])CCC(=O)[O-] ZINC001610130377 1289384482 /nfs/dbraw/zinc/38/44/82/1289384482.db2.gz QEURAAUUWWUNGB-KRWDZBQOSA-N 2 2 368.522 0.833 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001692080502 1289385710 /nfs/dbraw/zinc/38/57/10/1289385710.db2.gz FQOZJGGEPHMSIP-CABCVRRESA-N 2 2 362.478 0.440 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001692080502 1289385719 /nfs/dbraw/zinc/38/57/19/1289385719.db2.gz FQOZJGGEPHMSIP-CABCVRRESA-N 2 2 362.478 0.440 20 0 FCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001692087085 1289394096 /nfs/dbraw/zinc/39/40/96/1289394096.db2.gz YFPSHGWMIWCMEI-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001692087085 1289394101 /nfs/dbraw/zinc/39/41/01/1289394101.db2.gz YFPSHGWMIWCMEI-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001692097392 1289399294 /nfs/dbraw/zinc/39/92/94/1289399294.db2.gz JZYDIKLZEQFYQR-OCCSQVGLSA-N 2 2 371.507 0.027 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156446 1289408561 /nfs/dbraw/zinc/40/85/61/1289408561.db2.gz NMLIJRJGNHGAKH-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156446 1289408569 /nfs/dbraw/zinc/40/85/69/1289408569.db2.gz NMLIJRJGNHGAKH-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156446 1289408576 /nfs/dbraw/zinc/40/85/76/1289408576.db2.gz NMLIJRJGNHGAKH-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156446 1289408579 /nfs/dbraw/zinc/40/85/79/1289408579.db2.gz NMLIJRJGNHGAKH-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001692265412 1289439844 /nfs/dbraw/zinc/43/98/44/1289439844.db2.gz YIYFCZQHOLAUQO-CVEARBPZSA-N 2 2 359.474 0.649 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001692265412 1289439847 /nfs/dbraw/zinc/43/98/47/1289439847.db2.gz YIYFCZQHOLAUQO-CVEARBPZSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@H](CC[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699111053 1289545464 /nfs/dbraw/zinc/54/54/64/1289545464.db2.gz XMXNCRNTQHMIJN-GMTAPVOTSA-N 2 2 363.447 0.488 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1)CC(C)(C)C ZINC001739394289 1289905573 /nfs/dbraw/zinc/90/55/73/1289905573.db2.gz VWUYZMJQKRFCFM-GOEBONIOSA-N 2 2 361.490 0.989 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1)CC(C)(C)C ZINC001739394289 1289905574 /nfs/dbraw/zinc/90/55/74/1289905574.db2.gz VWUYZMJQKRFCFM-GOEBONIOSA-N 2 2 361.490 0.989 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1O ZINC001739450032 1290017170 /nfs/dbraw/zinc/01/71/70/1290017170.db2.gz SRGZRIRHCXMUTG-NUEKZKHPSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1O ZINC001739450032 1290017183 /nfs/dbraw/zinc/01/71/83/1290017183.db2.gz SRGZRIRHCXMUTG-NUEKZKHPSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001739450032 1290017196 /nfs/dbraw/zinc/01/71/96/1290017196.db2.gz SRGZRIRHCXMUTG-NUEKZKHPSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001739450032 1290017207 /nfs/dbraw/zinc/01/72/07/1290017207.db2.gz SRGZRIRHCXMUTG-NUEKZKHPSA-N 2 2 365.478 0.008 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2O)c(C)[nH+]1 ZINC001739450853 1290019915 /nfs/dbraw/zinc/01/99/15/1290019915.db2.gz CMEPDHONTZAISV-HZPDHXFCSA-N 2 2 362.474 0.650 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OC ZINC001702320007 1290037804 /nfs/dbraw/zinc/03/78/04/1290037804.db2.gz JJMGGPJQVOPBGH-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)n1cc[nH+]c1 ZINC001739655250 1290309344 /nfs/dbraw/zinc/30/93/44/1290309344.db2.gz BSLLXGKMVLUNIP-KFWWJZLASA-N 2 2 363.462 0.006 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC[N@@H+]1C ZINC001759900983 1290869638 /nfs/dbraw/zinc/86/96/38/1290869638.db2.gz SBALNGRGFGJXER-IIAWOOMASA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC[N@H+]1C ZINC001759900983 1290869654 /nfs/dbraw/zinc/86/96/54/1290869654.db2.gz SBALNGRGFGJXER-IIAWOOMASA-N 2 2 359.474 0.551 20 0 FCADLP COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC001661395207 1291691500 /nfs/dbraw/zinc/69/15/00/1291691500.db2.gz PEAJLHOPMIUGSI-UHFFFAOYSA-N 2 2 370.519 0.551 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001688986168 1294560694 /nfs/dbraw/zinc/56/06/94/1294560694.db2.gz DFSQYISIKBZTIZ-NUEKZKHPSA-N 2 2 360.458 0.738 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001689077292 1294597502 /nfs/dbraw/zinc/59/75/02/1294597502.db2.gz DLDVACSNMDGSQW-OWCLPIDISA-N 2 2 363.462 0.005 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001689103886 1294619931 /nfs/dbraw/zinc/61/99/31/1294619931.db2.gz JRCDMVODNNYMFU-CABCVRRESA-N 2 2 370.519 0.994 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1CCC[NH2+]CC(N)=O ZINC001689126618 1294621874 /nfs/dbraw/zinc/62/18/74/1294621874.db2.gz POMUVRPCUGGFQD-HLLBOEOZSA-N 2 2 361.490 0.928 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1cc(C)n(C)n1 ZINC001689189076 1294655738 /nfs/dbraw/zinc/65/57/38/1294655738.db2.gz GLAIFVIZOLNBTM-ZWKOTPCHSA-N 2 2 363.506 0.920 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1cc(C)n(C)n1 ZINC001689189076 1294655746 /nfs/dbraw/zinc/65/57/46/1294655746.db2.gz GLAIFVIZOLNBTM-ZWKOTPCHSA-N 2 2 363.506 0.920 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001689282530 1294710453 /nfs/dbraw/zinc/71/04/53/1294710453.db2.gz KIPSHWWCPJGMHJ-ILXRZTDVSA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001689282530 1294710461 /nfs/dbraw/zinc/71/04/61/1294710461.db2.gz KIPSHWWCPJGMHJ-ILXRZTDVSA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001689282530 1294710470 /nfs/dbraw/zinc/71/04/70/1294710470.db2.gz KIPSHWWCPJGMHJ-ILXRZTDVSA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001689282530 1294710479 /nfs/dbraw/zinc/71/04/79/1294710479.db2.gz KIPSHWWCPJGMHJ-ILXRZTDVSA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001689385882 1294775164 /nfs/dbraw/zinc/77/51/64/1294775164.db2.gz VNWMHYMYNVSXAY-JKSUJKDBSA-N 2 2 371.441 0.291 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(=O)NC[C@H]1CCOC1 ZINC001691688728 1294912695 /nfs/dbraw/zinc/91/26/95/1294912695.db2.gz DTRMGLPQDZARAU-INMHGKMJSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(=O)NC[C@H]1CCOC1 ZINC001691688728 1294912703 /nfs/dbraw/zinc/91/27/03/1294912703.db2.gz DTRMGLPQDZARAU-INMHGKMJSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@H]1CCOC1 ZINC001691688728 1294912709 /nfs/dbraw/zinc/91/27/09/1294912709.db2.gz DTRMGLPQDZARAU-INMHGKMJSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@H]1CCOC1 ZINC001691688728 1294912717 /nfs/dbraw/zinc/91/27/17/1294912717.db2.gz DTRMGLPQDZARAU-INMHGKMJSA-N 2 2 366.506 0.202 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164622424 719132461 /nfs/dbraw/zinc/13/24/61/719132461.db2.gz OTRYZTXJKSSHEJ-SFHVURJKSA-N 2 2 367.453 0.986 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164622424 719132471 /nfs/dbraw/zinc/13/24/71/719132471.db2.gz OTRYZTXJKSSHEJ-SFHVURJKSA-N 2 2 367.453 0.986 20 0 FCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5c4C[NH2+]C5)C3)O2)CC1 ZINC001164889755 721399493 /nfs/dbraw/zinc/39/94/93/721399493.db2.gz MEBMAWRTCCNQLB-OXQOHEQNSA-N 2 2 372.517 0.845 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2C[NH2+]C4)CC3)CC1 ZINC001164794131 721511325 /nfs/dbraw/zinc/51/13/25/721511325.db2.gz GYYZXLUFFGGSPP-UHFFFAOYSA-N 2 2 354.462 0.044 20 0 FCADLP [NH3+]Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164912777 721777209 /nfs/dbraw/zinc/77/72/09/721777209.db2.gz PTUGBBDZNZGWKG-IBGZPJMESA-N 2 2 370.457 0.438 20 0 FCADLP [NH3+]Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164912777 721777213 /nfs/dbraw/zinc/77/72/13/721777213.db2.gz PTUGBBDZNZGWKG-IBGZPJMESA-N 2 2 370.457 0.438 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217637 837635466 /nfs/dbraw/zinc/63/54/66/837635466.db2.gz MAAHTTVAEMUMCY-KFWWJZLASA-N 2 2 363.491 0.617 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001071076860 837724864 /nfs/dbraw/zinc/72/48/64/837724864.db2.gz KLQGAQVPCMJOIH-LESCRADOSA-N 2 2 350.463 0.640 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCC(F)(F)F)CCCO2)O1 ZINC001073660280 837782449 /nfs/dbraw/zinc/78/24/49/837782449.db2.gz AABLSKSCQKNKCG-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCC(F)(F)F)CCCO2)O1 ZINC001073660280 837782457 /nfs/dbraw/zinc/78/24/57/837782457.db2.gz AABLSKSCQKNKCG-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCC(F)(F)F)CCCO2)O1 ZINC001073660280 837782463 /nfs/dbraw/zinc/78/24/63/837782463.db2.gz AABLSKSCQKNKCG-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCC(F)(F)F)CCCO2)O1 ZINC001073660280 837782467 /nfs/dbraw/zinc/78/24/67/837782467.db2.gz AABLSKSCQKNKCG-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)n1 ZINC001099341415 844033855 /nfs/dbraw/zinc/03/38/55/844033855.db2.gz DIOLAJYJNNBAHK-MRVWCRGKSA-N 2 2 359.396 0.851 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)n1 ZINC001099341415 844033863 /nfs/dbraw/zinc/03/38/63/844033863.db2.gz DIOLAJYJNNBAHK-MRVWCRGKSA-N 2 2 359.396 0.851 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)c1cccnc1 ZINC001099345556 844036934 /nfs/dbraw/zinc/03/69/34/844036934.db2.gz HPSQXBZZOMYAGU-MCIONIFRSA-N 2 2 360.380 0.656 20 0 FCADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099346935 844037417 /nfs/dbraw/zinc/03/74/17/844037417.db2.gz WLVOIZZLKIYKBW-MCIONIFRSA-N 2 2 365.396 0.068 20 0 FCADLP O=C(NCC1CC([NH2+]CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001100524575 844053938 /nfs/dbraw/zinc/05/39/38/844053938.db2.gz GQWMFBZNFRNBMN-BACDZXNISA-N 2 2 357.470 0.710 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000747469673 836244875 /nfs/dbraw/zinc/24/48/75/836244875.db2.gz HUMUENCRQSJNQK-RHSMWYFYSA-N 2 2 356.467 0.334 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000747469673 836244888 /nfs/dbraw/zinc/24/48/88/836244888.db2.gz HUMUENCRQSJNQK-RHSMWYFYSA-N 2 2 356.467 0.334 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643739 837877342 /nfs/dbraw/zinc/87/73/42/837877342.db2.gz JPHXBCIJQIDSFY-USXIJHARSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643739 837877350 /nfs/dbraw/zinc/87/73/50/837877350.db2.gz JPHXBCIJQIDSFY-USXIJHARSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643739 837877357 /nfs/dbraw/zinc/87/73/57/837877357.db2.gz JPHXBCIJQIDSFY-USXIJHARSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001075643739 837877362 /nfs/dbraw/zinc/87/73/62/837877362.db2.gz JPHXBCIJQIDSFY-USXIJHARSA-N 2 2 364.515 0.857 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881139 837922314 /nfs/dbraw/zinc/92/23/14/837922314.db2.gz FNMQVVPKWBGNTM-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881139 837922320 /nfs/dbraw/zinc/92/23/20/837922320.db2.gz FNMQVVPKWBGNTM-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881139 837922325 /nfs/dbraw/zinc/92/23/25/837922325.db2.gz FNMQVVPKWBGNTM-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881139 837922331 /nfs/dbraw/zinc/92/23/31/837922331.db2.gz FNMQVVPKWBGNTM-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001076805285 838113035 /nfs/dbraw/zinc/11/30/35/838113035.db2.gz AMFRIJODKJTLOS-BZUAXINKSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001076805285 838113045 /nfs/dbraw/zinc/11/30/45/838113045.db2.gz AMFRIJODKJTLOS-BZUAXINKSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001076805285 838113052 /nfs/dbraw/zinc/11/30/52/838113052.db2.gz AMFRIJODKJTLOS-BZUAXINKSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001076805285 838113059 /nfs/dbraw/zinc/11/30/59/838113059.db2.gz AMFRIJODKJTLOS-BZUAXINKSA-N 2 2 351.422 0.460 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926635 844332180 /nfs/dbraw/zinc/33/21/80/844332180.db2.gz IFIGDAIZCZAVBL-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926635 844332191 /nfs/dbraw/zinc/33/21/91/844332191.db2.gz IFIGDAIZCZAVBL-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091241 838724319 /nfs/dbraw/zinc/72/43/19/838724319.db2.gz RPGNMYBEZMAWAY-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091241 838724331 /nfs/dbraw/zinc/72/43/31/838724331.db2.gz RPGNMYBEZMAWAY-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091241 838724340 /nfs/dbraw/zinc/72/43/40/838724340.db2.gz RPGNMYBEZMAWAY-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091241 838724350 /nfs/dbraw/zinc/72/43/50/838724350.db2.gz RPGNMYBEZMAWAY-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132364 838758379 /nfs/dbraw/zinc/75/83/79/838758379.db2.gz VJXWHYVSBDRXTM-ARFHVFGLSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132364 838758386 /nfs/dbraw/zinc/75/83/86/838758386.db2.gz VJXWHYVSBDRXTM-ARFHVFGLSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132364 838758395 /nfs/dbraw/zinc/75/83/95/838758395.db2.gz VJXWHYVSBDRXTM-ARFHVFGLSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132364 838758401 /nfs/dbraw/zinc/75/84/01/838758401.db2.gz VJXWHYVSBDRXTM-ARFHVFGLSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077217841 838820469 /nfs/dbraw/zinc/82/04/69/838820469.db2.gz GUPFCLRAHAXMDR-ARFHVFGLSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077217841 838820478 /nfs/dbraw/zinc/82/04/78/838820478.db2.gz GUPFCLRAHAXMDR-ARFHVFGLSA-N 2 2 350.463 0.515 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237798 838842512 /nfs/dbraw/zinc/84/25/12/838842512.db2.gz RSEGXNIWMHDJQS-BRWVUGGUSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237798 838842519 /nfs/dbraw/zinc/84/25/19/838842519.db2.gz RSEGXNIWMHDJQS-BRWVUGGUSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077237798 838842530 /nfs/dbraw/zinc/84/25/30/838842530.db2.gz RSEGXNIWMHDJQS-BRWVUGGUSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237798 838842539 /nfs/dbraw/zinc/84/25/39/838842539.db2.gz RSEGXNIWMHDJQS-BRWVUGGUSA-N 2 2 350.463 0.691 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001102015589 844373422 /nfs/dbraw/zinc/37/34/22/844373422.db2.gz LLJWRCIAXXEFCL-BPLDGKMQSA-N 2 2 354.474 0.977 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001102015589 844373432 /nfs/dbraw/zinc/37/34/32/844373432.db2.gz LLJWRCIAXXEFCL-BPLDGKMQSA-N 2 2 354.474 0.977 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260760 838858886 /nfs/dbraw/zinc/85/88/86/838858886.db2.gz ULSUUASPMJBXIC-BPLDGKMQSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260760 838858889 /nfs/dbraw/zinc/85/88/89/838858889.db2.gz ULSUUASPMJBXIC-BPLDGKMQSA-N 2 2 354.401 0.652 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001077394920 838947764 /nfs/dbraw/zinc/94/77/64/838947764.db2.gz KJBBBVGVRKTRLS-YNEHKIRRSA-N 2 2 361.273 0.937 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001077394920 838947774 /nfs/dbraw/zinc/94/77/74/838947774.db2.gz KJBBBVGVRKTRLS-YNEHKIRRSA-N 2 2 361.273 0.937 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566797 839040323 /nfs/dbraw/zinc/04/03/23/839040323.db2.gz OKGKZISBUUVWET-JHJVBQTASA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566797 839040328 /nfs/dbraw/zinc/04/03/28/839040328.db2.gz OKGKZISBUUVWET-JHJVBQTASA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566797 839040335 /nfs/dbraw/zinc/04/03/35/839040335.db2.gz OKGKZISBUUVWET-JHJVBQTASA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566797 839040343 /nfs/dbraw/zinc/04/03/43/839040343.db2.gz OKGKZISBUUVWET-JHJVBQTASA-N 2 2 353.385 0.209 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)CC2 ZINC001077583920 839053471 /nfs/dbraw/zinc/05/34/71/839053471.db2.gz UAJLGMIANNSOSR-IACUBPJLSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)CC2 ZINC001077583920 839053479 /nfs/dbraw/zinc/05/34/79/839053479.db2.gz UAJLGMIANNSOSR-IACUBPJLSA-N 2 2 360.380 0.868 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077676737 839103949 /nfs/dbraw/zinc/10/39/49/839103949.db2.gz HJTBXPAKGAIZOC-JCURWCKSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077676737 839103957 /nfs/dbraw/zinc/10/39/57/839103957.db2.gz HJTBXPAKGAIZOC-JCURWCKSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077676737 839103964 /nfs/dbraw/zinc/10/39/64/839103964.db2.gz HJTBXPAKGAIZOC-JCURWCKSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077676737 839103971 /nfs/dbraw/zinc/10/39/71/839103971.db2.gz HJTBXPAKGAIZOC-JCURWCKSSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)C2 ZINC001077682915 839110555 /nfs/dbraw/zinc/11/05/55/839110555.db2.gz RAPHQMPHYJYAAO-MRVWCRGKSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)C2 ZINC001077682915 839110565 /nfs/dbraw/zinc/11/05/65/839110565.db2.gz RAPHQMPHYJYAAO-MRVWCRGKSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923780 839233926 /nfs/dbraw/zinc/23/39/26/839233926.db2.gz DHPXWFGOYDFSOI-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923780 839233940 /nfs/dbraw/zinc/23/39/40/839233940.db2.gz DHPXWFGOYDFSOI-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078006667 839288931 /nfs/dbraw/zinc/28/89/31/839288931.db2.gz AXGKXIICFGZSMR-RAIGVLPGSA-N 2 2 361.273 0.708 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078006667 839288944 /nfs/dbraw/zinc/28/89/44/839288944.db2.gz AXGKXIICFGZSMR-RAIGVLPGSA-N 2 2 361.273 0.708 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175752 839381354 /nfs/dbraw/zinc/38/13/54/839381354.db2.gz KYEWUYIOHWLYKU-DAXOMENPSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078175752 839381361 /nfs/dbraw/zinc/38/13/61/839381361.db2.gz KYEWUYIOHWLYKU-DAXOMENPSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078175752 839381381 /nfs/dbraw/zinc/38/13/81/839381381.db2.gz KYEWUYIOHWLYKU-DAXOMENPSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175752 839381388 /nfs/dbraw/zinc/38/13/88/839381388.db2.gz KYEWUYIOHWLYKU-DAXOMENPSA-N 2 2 351.422 0.447 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078180212 839384701 /nfs/dbraw/zinc/38/47/01/839384701.db2.gz RKBZHYUUYSGHKV-BRWVUGGUSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078180212 839384711 /nfs/dbraw/zinc/38/47/11/839384711.db2.gz RKBZHYUUYSGHKV-BRWVUGGUSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001078272247 839439286 /nfs/dbraw/zinc/43/92/86/839439286.db2.gz OHWUTVINAKRTJF-HZPDHXFCSA-N 2 2 364.833 0.777 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001078272247 839439291 /nfs/dbraw/zinc/43/92/91/839439291.db2.gz OHWUTVINAKRTJF-HZPDHXFCSA-N 2 2 364.833 0.777 20 0 FCADLP Cc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405784 839458270 /nfs/dbraw/zinc/45/82/70/839458270.db2.gz YHMIBKYRTIXQER-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405784 839458275 /nfs/dbraw/zinc/45/82/75/839458275.db2.gz YHMIBKYRTIXQER-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494601 839535670 /nfs/dbraw/zinc/53/56/70/839535670.db2.gz JIWMBHJUBNLLJZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494601 839535675 /nfs/dbraw/zinc/53/56/75/839535675.db2.gz JIWMBHJUBNLLJZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494601 839535680 /nfs/dbraw/zinc/53/56/80/839535680.db2.gz JIWMBHJUBNLLJZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494601 839535683 /nfs/dbraw/zinc/53/56/83/839535683.db2.gz JIWMBHJUBNLLJZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526910 839542673 /nfs/dbraw/zinc/54/26/73/839542673.db2.gz WOWFGBQVOFOFDS-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526910 839542681 /nfs/dbraw/zinc/54/26/81/839542681.db2.gz WOWFGBQVOFOFDS-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526910 839542685 /nfs/dbraw/zinc/54/26/85/839542685.db2.gz WOWFGBQVOFOFDS-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526910 839542692 /nfs/dbraw/zinc/54/26/92/839542692.db2.gz WOWFGBQVOFOFDS-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cs1 ZINC001079526966 839543322 /nfs/dbraw/zinc/54/33/22/839543322.db2.gz YCSOAJSGSUHMKJ-WQVCFCJDSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cs1 ZINC001079526966 839543330 /nfs/dbraw/zinc/54/33/30/839543330.db2.gz YCSOAJSGSUHMKJ-WQVCFCJDSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cs1 ZINC001079526966 839543339 /nfs/dbraw/zinc/54/33/39/839543339.db2.gz YCSOAJSGSUHMKJ-WQVCFCJDSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cs1 ZINC001079526966 839543350 /nfs/dbraw/zinc/54/33/50/839543350.db2.gz YCSOAJSGSUHMKJ-WQVCFCJDSA-N 2 2 352.504 0.761 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079697986 839577143 /nfs/dbraw/zinc/57/71/43/839577143.db2.gz DWYYVDMKOUWBGK-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079697986 839577152 /nfs/dbraw/zinc/57/71/52/839577152.db2.gz DWYYVDMKOUWBGK-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080659287 839772549 /nfs/dbraw/zinc/77/25/49/839772549.db2.gz BTPRZEDYWYZOQL-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080659287 839772551 /nfs/dbraw/zinc/77/25/51/839772551.db2.gz BTPRZEDYWYZOQL-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001102350912 844472836 /nfs/dbraw/zinc/47/28/36/844472836.db2.gz DVUCRAISVXOATH-KFWWJZLASA-N 2 2 350.463 0.523 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001102350912 844472842 /nfs/dbraw/zinc/47/28/42/844472842.db2.gz DVUCRAISVXOATH-KFWWJZLASA-N 2 2 350.463 0.523 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941340 839837846 /nfs/dbraw/zinc/83/78/46/839837846.db2.gz ZDYKXMNTNVQDSN-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941340 839837857 /nfs/dbraw/zinc/83/78/57/839837857.db2.gz ZDYKXMNTNVQDSN-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407598 844488365 /nfs/dbraw/zinc/48/83/65/844488365.db2.gz DPVJEMMCADYCCN-INMHGKMJSA-N 2 2 352.479 0.670 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407598 844488369 /nfs/dbraw/zinc/48/83/69/844488369.db2.gz DPVJEMMCADYCCN-INMHGKMJSA-N 2 2 352.479 0.670 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856933 840071482 /nfs/dbraw/zinc/07/14/82/840071482.db2.gz QUNSRXTUPMVRCR-OWCLPIDISA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856933 840071490 /nfs/dbraw/zinc/07/14/90/840071490.db2.gz QUNSRXTUPMVRCR-OWCLPIDISA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081856933 840071500 /nfs/dbraw/zinc/07/15/00/840071500.db2.gz QUNSRXTUPMVRCR-OWCLPIDISA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081856933 840071510 /nfs/dbraw/zinc/07/15/10/840071510.db2.gz QUNSRXTUPMVRCR-OWCLPIDISA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880127 840080810 /nfs/dbraw/zinc/08/08/10/840080810.db2.gz LHOBNTHQOBNAGG-DAXOMENPSA-N 2 2 352.435 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880127 840080821 /nfs/dbraw/zinc/08/08/21/840080821.db2.gz LHOBNTHQOBNAGG-DAXOMENPSA-N 2 2 352.435 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371137 840357781 /nfs/dbraw/zinc/35/77/81/840357781.db2.gz UWOSAIKESZSOAH-HUUCEWRRSA-N 2 2 351.451 0.222 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371137 840357792 /nfs/dbraw/zinc/35/77/92/840357792.db2.gz UWOSAIKESZSOAH-HUUCEWRRSA-N 2 2 351.451 0.222 20 0 FCADLP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371389 840360119 /nfs/dbraw/zinc/36/01/19/840360119.db2.gz GRDSTLRXJJSZSC-MCIONIFRSA-N 2 2 358.389 0.431 20 0 FCADLP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371389 840360126 /nfs/dbraw/zinc/36/01/26/840360126.db2.gz GRDSTLRXJJSZSC-MCIONIFRSA-N 2 2 358.389 0.431 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1)[NH+](C)C ZINC001082589088 840477785 /nfs/dbraw/zinc/47/77/85/840477785.db2.gz HMVVLHHARNMBFD-MGPQQGTHSA-N 2 2 353.467 0.535 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)n1 ZINC001082596026 840482105 /nfs/dbraw/zinc/48/21/05/840482105.db2.gz RDMMFJIVPUUWRP-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C)n1 ZINC001082596026 840482110 /nfs/dbraw/zinc/48/21/10/840482110.db2.gz RDMMFJIVPUUWRP-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082653377 840512591 /nfs/dbraw/zinc/51/25/91/840512591.db2.gz IBIPTYYYGNLSGI-HDNNOUGTSA-N 2 2 363.487 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082653377 840512598 /nfs/dbraw/zinc/51/25/98/840512598.db2.gz IBIPTYYYGNLSGI-HDNNOUGTSA-N 2 2 363.487 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082673710 840520738 /nfs/dbraw/zinc/52/07/38/840520738.db2.gz ITEPZNZMVLOLLK-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001082703099 840530935 /nfs/dbraw/zinc/53/09/35/840530935.db2.gz XTNNHNMKKAAULB-YUELXQCFSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001082703099 840530944 /nfs/dbraw/zinc/53/09/44/840530944.db2.gz XTNNHNMKKAAULB-YUELXQCFSA-N 2 2 353.492 0.584 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082808084 840569535 /nfs/dbraw/zinc/56/95/35/840569535.db2.gz UHXBXIHKYONJSD-GDBMZVCRSA-N 2 2 350.463 0.896 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)s1 ZINC001082807478 840570357 /nfs/dbraw/zinc/57/03/57/840570357.db2.gz KMILNUJYHLCXPF-TZMCWYRMSA-N 2 2 353.492 0.505 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082823931 840575093 /nfs/dbraw/zinc/57/50/93/840575093.db2.gz YIAYGEWOAUBAQK-MGPQQGTHSA-N 2 2 354.476 0.214 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102532364 844556126 /nfs/dbraw/zinc/55/61/26/844556126.db2.gz ISVXXITXXWQEFK-GZBFAFLISA-N 2 2 370.519 0.625 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102532364 844556133 /nfs/dbraw/zinc/55/61/33/844556133.db2.gz ISVXXITXXWQEFK-GZBFAFLISA-N 2 2 370.519 0.625 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210906 840798617 /nfs/dbraw/zinc/79/86/17/840798617.db2.gz ZFDVBCDURAZGIQ-OWCLPIDISA-N 2 2 350.463 0.953 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210906 840798624 /nfs/dbraw/zinc/79/86/24/840798624.db2.gz ZFDVBCDURAZGIQ-OWCLPIDISA-N 2 2 350.463 0.953 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372680 840944008 /nfs/dbraw/zinc/94/40/08/840944008.db2.gz AMFRIJODKJTLOS-OAGGEKHMSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372680 840944020 /nfs/dbraw/zinc/94/40/20/840944020.db2.gz AMFRIJODKJTLOS-OAGGEKHMSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372680 840944030 /nfs/dbraw/zinc/94/40/30/840944030.db2.gz AMFRIJODKJTLOS-OAGGEKHMSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083372680 840944042 /nfs/dbraw/zinc/94/40/42/840944042.db2.gz AMFRIJODKJTLOS-OAGGEKHMSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385154 840955186 /nfs/dbraw/zinc/95/51/86/840955186.db2.gz FMXIYWRYSLKHLD-IKGGRYGDSA-N 2 2 351.422 0.148 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385154 840955194 /nfs/dbraw/zinc/95/51/94/840955194.db2.gz FMXIYWRYSLKHLD-IKGGRYGDSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385154 840955203 /nfs/dbraw/zinc/95/52/03/840955203.db2.gz FMXIYWRYSLKHLD-IKGGRYGDSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385154 840955207 /nfs/dbraw/zinc/95/52/07/840955207.db2.gz FMXIYWRYSLKHLD-IKGGRYGDSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)n1 ZINC001083470520 841043007 /nfs/dbraw/zinc/04/30/07/841043007.db2.gz XPMLZECQBDHVAZ-OLZOCXBDSA-N 2 2 363.384 0.172 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)n1 ZINC001083470520 841043013 /nfs/dbraw/zinc/04/30/13/841043013.db2.gz XPMLZECQBDHVAZ-OLZOCXBDSA-N 2 2 363.384 0.172 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615697 844603855 /nfs/dbraw/zinc/60/38/55/844603855.db2.gz MQWGBISWYULFDP-BRWVUGGUSA-N 2 2 352.479 0.601 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615697 844603860 /nfs/dbraw/zinc/60/38/60/844603860.db2.gz MQWGBISWYULFDP-BRWVUGGUSA-N 2 2 352.479 0.601 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)c[nH+]1 ZINC001083563235 841172518 /nfs/dbraw/zinc/17/25/18/841172518.db2.gz FYNCWICZSCKYSZ-CVEARBPZSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)c[nH+]1 ZINC001083563235 841172525 /nfs/dbraw/zinc/17/25/25/841172525.db2.gz FYNCWICZSCKYSZ-CVEARBPZSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563263 841172563 /nfs/dbraw/zinc/17/25/63/841172563.db2.gz GUPFCLRAHAXMDR-OAGGEKHMSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563263 841172569 /nfs/dbraw/zinc/17/25/69/841172569.db2.gz GUPFCLRAHAXMDR-OAGGEKHMSA-N 2 2 350.463 0.515 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083579855 841194047 /nfs/dbraw/zinc/19/40/47/841194047.db2.gz GCBDQRVNRBXLIZ-CFVMTHIKSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083579855 841194051 /nfs/dbraw/zinc/19/40/51/841194051.db2.gz GCBDQRVNRBXLIZ-CFVMTHIKSA-N 2 2 354.401 0.652 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723310 841359238 /nfs/dbraw/zinc/35/92/38/841359238.db2.gz DWWKTZNBKYPXLN-PMPSAXMXSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723310 841359249 /nfs/dbraw/zinc/35/92/49/841359249.db2.gz DWWKTZNBKYPXLN-PMPSAXMXSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723310 841359261 /nfs/dbraw/zinc/35/92/61/841359261.db2.gz DWWKTZNBKYPXLN-PMPSAXMXSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723310 841359274 /nfs/dbraw/zinc/35/92/74/841359274.db2.gz DWWKTZNBKYPXLN-PMPSAXMXSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001275799331 861194352 /nfs/dbraw/zinc/19/43/52/861194352.db2.gz KJDZMHQQFYGNQZ-OAHLLOKOSA-N 2 2 364.515 0.943 20 0 FCADLP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001275799331 861194366 /nfs/dbraw/zinc/19/43/66/861194366.db2.gz KJDZMHQQFYGNQZ-OAHLLOKOSA-N 2 2 364.515 0.943 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083733555 841377013 /nfs/dbraw/zinc/37/70/13/841377013.db2.gz SYFGNFQTCIOTIT-OAGGEKHMSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083733555 841377020 /nfs/dbraw/zinc/37/70/20/841377020.db2.gz SYFGNFQTCIOTIT-OAGGEKHMSA-N 2 2 351.447 0.685 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)C2 ZINC001083781003 841427357 /nfs/dbraw/zinc/42/73/57/841427357.db2.gz RAPHQMPHYJYAAO-BNOWGMLFSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)C2 ZINC001083781003 841427360 /nfs/dbraw/zinc/42/73/60/841427360.db2.gz RAPHQMPHYJYAAO-BNOWGMLFSA-N 2 2 360.380 0.868 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083887720 841534666 /nfs/dbraw/zinc/53/46/66/841534666.db2.gz ICLGUBIOQDYRSE-BBWFWOEESA-N 2 2 353.507 0.695 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083887720 841534674 /nfs/dbraw/zinc/53/46/74/841534674.db2.gz ICLGUBIOQDYRSE-BBWFWOEESA-N 2 2 353.507 0.695 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001083997914 841627687 /nfs/dbraw/zinc/62/76/87/841627687.db2.gz PRALXCZKBGQQKR-IKGGRYGDSA-N 2 2 350.463 0.627 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001083997914 841627689 /nfs/dbraw/zinc/62/76/89/841627689.db2.gz PRALXCZKBGQQKR-IKGGRYGDSA-N 2 2 350.463 0.627 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001084052673 841667814 /nfs/dbraw/zinc/66/78/14/841667814.db2.gz CVCOVKITKYSUGH-BMFZPTHFSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001084052673 841667822 /nfs/dbraw/zinc/66/78/22/841667822.db2.gz CVCOVKITKYSUGH-BMFZPTHFSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1F ZINC001084052673 841667827 /nfs/dbraw/zinc/66/78/27/841667827.db2.gz CVCOVKITKYSUGH-BMFZPTHFSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1F ZINC001084052673 841667833 /nfs/dbraw/zinc/66/78/33/841667833.db2.gz CVCOVKITKYSUGH-BMFZPTHFSA-N 2 2 351.422 0.447 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001084115412 841717491 /nfs/dbraw/zinc/71/74/91/841717491.db2.gz OHWUTVINAKRTJF-CVEARBPZSA-N 2 2 364.833 0.777 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001084115412 841717498 /nfs/dbraw/zinc/71/74/98/841717498.db2.gz OHWUTVINAKRTJF-CVEARBPZSA-N 2 2 364.833 0.777 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853153 841935604 /nfs/dbraw/zinc/93/56/04/841935604.db2.gz NRASDTRMDDDIRI-NUJGCVRESA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853153 841935607 /nfs/dbraw/zinc/93/56/07/841935607.db2.gz NRASDTRMDDDIRI-NUJGCVRESA-N 2 2 350.507 0.728 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001085242702 842053701 /nfs/dbraw/zinc/05/37/01/842053701.db2.gz CZFDZLICJJBGPQ-NMFUWQPSSA-N 2 2 350.467 0.349 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001085242702 842053711 /nfs/dbraw/zinc/05/37/11/842053711.db2.gz CZFDZLICJJBGPQ-NMFUWQPSSA-N 2 2 350.467 0.349 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001085430763 842103877 /nfs/dbraw/zinc/10/38/77/842103877.db2.gz AZWNNBGHLNSPAD-ZIAGYGMSSA-N 2 2 350.488 0.609 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001085430763 842103880 /nfs/dbraw/zinc/10/38/80/842103880.db2.gz AZWNNBGHLNSPAD-ZIAGYGMSSA-N 2 2 350.488 0.609 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086112068 842122731 /nfs/dbraw/zinc/12/27/31/842122731.db2.gz QCEIKTSLRGNRPG-VQJWOFKYSA-N 2 2 366.487 0.432 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086112068 842122732 /nfs/dbraw/zinc/12/27/32/842122732.db2.gz QCEIKTSLRGNRPG-VQJWOFKYSA-N 2 2 366.487 0.432 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087058788 842253861 /nfs/dbraw/zinc/25/38/61/842253861.db2.gz BGOODAXUUQZDPA-IUODEOHRSA-N 2 2 364.475 0.847 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087058788 842253870 /nfs/dbraw/zinc/25/38/70/842253870.db2.gz BGOODAXUUQZDPA-IUODEOHRSA-N 2 2 364.475 0.847 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087059075 842254115 /nfs/dbraw/zinc/25/41/15/842254115.db2.gz PPCRKWBORDOEEU-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087059075 842254125 /nfs/dbraw/zinc/25/41/25/842254125.db2.gz PPCRKWBORDOEEU-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP CSc1nccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001276051931 861306249 /nfs/dbraw/zinc/30/62/49/861306249.db2.gz CUWIIDABRCJHHX-KRWDZBQOSA-N 2 2 365.503 0.563 20 0 FCADLP CSc1nccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001276051931 861306267 /nfs/dbraw/zinc/30/62/67/861306267.db2.gz CUWIIDABRCJHHX-KRWDZBQOSA-N 2 2 365.503 0.563 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc(O)ccc3F)C2)OCC1=O ZINC001276062209 861306850 /nfs/dbraw/zinc/30/68/50/861306850.db2.gz STZBZNXWVGMHRG-SFHVURJKSA-N 2 2 351.422 0.896 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc(O)ccc3F)C2)OCC1=O ZINC001276062209 861306871 /nfs/dbraw/zinc/30/68/71/861306871.db2.gz STZBZNXWVGMHRG-SFHVURJKSA-N 2 2 351.422 0.896 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211082 842562962 /nfs/dbraw/zinc/56/29/62/842562962.db2.gz PZFBWPGRYYKOLF-HIFRSBDPSA-N 2 2 362.499 0.372 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211082 842562973 /nfs/dbraw/zinc/56/29/73/842562973.db2.gz PZFBWPGRYYKOLF-HIFRSBDPSA-N 2 2 362.499 0.372 20 0 FCADLP NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211082 842562985 /nfs/dbraw/zinc/56/29/85/842562985.db2.gz PZFBWPGRYYKOLF-HIFRSBDPSA-N 2 2 362.499 0.372 20 0 FCADLP NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC001088211082 842562994 /nfs/dbraw/zinc/56/29/94/842562994.db2.gz PZFBWPGRYYKOLF-HIFRSBDPSA-N 2 2 362.499 0.372 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C)cs1 ZINC001088506401 842592402 /nfs/dbraw/zinc/59/24/02/842592402.db2.gz TWIHIGNIXOLELU-KCXAZCMYSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C)cs1 ZINC001088506401 842592406 /nfs/dbraw/zinc/59/24/06/842592406.db2.gz TWIHIGNIXOLELU-KCXAZCMYSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)cs1 ZINC001088506401 842592409 /nfs/dbraw/zinc/59/24/09/842592409.db2.gz TWIHIGNIXOLELU-KCXAZCMYSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)cs1 ZINC001088506401 842592411 /nfs/dbraw/zinc/59/24/11/842592411.db2.gz TWIHIGNIXOLELU-KCXAZCMYSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001088750413 842666375 /nfs/dbraw/zinc/66/63/75/842666375.db2.gz LSWNCKTYDVJIHO-OAGGEKHMSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001088750413 842666378 /nfs/dbraw/zinc/66/63/78/842666378.db2.gz LSWNCKTYDVJIHO-OAGGEKHMSA-N 2 2 368.503 0.595 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814702 842685274 /nfs/dbraw/zinc/68/52/74/842685274.db2.gz FYXHDRSBVWLBRL-KBMXLJTQSA-N 2 2 350.467 0.003 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814702 842685277 /nfs/dbraw/zinc/68/52/77/842685277.db2.gz FYXHDRSBVWLBRL-KBMXLJTQSA-N 2 2 350.467 0.003 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814702 842685279 /nfs/dbraw/zinc/68/52/79/842685279.db2.gz FYXHDRSBVWLBRL-KBMXLJTQSA-N 2 2 350.467 0.003 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814702 842685281 /nfs/dbraw/zinc/68/52/81/842685281.db2.gz FYXHDRSBVWLBRL-KBMXLJTQSA-N 2 2 350.467 0.003 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2C)CC1 ZINC001088952735 842726291 /nfs/dbraw/zinc/72/62/91/842726291.db2.gz GXNVHHHRMQAYQK-ZBFHGGJFSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)CC1 ZINC001088952735 842726293 /nfs/dbraw/zinc/72/62/93/842726293.db2.gz GXNVHHHRMQAYQK-ZBFHGGJFSA-N 2 2 359.536 0.730 20 0 FCADLP CSc1ncc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276205697 861353427 /nfs/dbraw/zinc/35/34/27/861353427.db2.gz ZHUSZLCFQXFOQI-QGZVFWFLSA-N 2 2 365.503 0.563 20 0 FCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214558 861355651 /nfs/dbraw/zinc/35/56/51/861355651.db2.gz YZWIBVLDEBUBPT-RRFJBIMHSA-N 2 2 352.479 0.700 20 0 FCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214558 861355669 /nfs/dbraw/zinc/35/56/69/861355669.db2.gz YZWIBVLDEBUBPT-RRFJBIMHSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214558 861355684 /nfs/dbraw/zinc/35/56/84/861355684.db2.gz YZWIBVLDEBUBPT-RRFJBIMHSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214558 861355696 /nfs/dbraw/zinc/35/56/96/861355696.db2.gz YZWIBVLDEBUBPT-RRFJBIMHSA-N 2 2 352.479 0.700 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214494 861356295 /nfs/dbraw/zinc/35/62/95/861356295.db2.gz VKALGNUMBLSZAP-QLFBSQMISA-N 2 2 352.479 0.843 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214494 861356311 /nfs/dbraw/zinc/35/63/11/861356311.db2.gz VKALGNUMBLSZAP-QLFBSQMISA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214494 861356322 /nfs/dbraw/zinc/35/63/22/861356322.db2.gz VKALGNUMBLSZAP-QLFBSQMISA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214494 861356340 /nfs/dbraw/zinc/35/63/40/861356340.db2.gz VKALGNUMBLSZAP-QLFBSQMISA-N 2 2 352.479 0.843 20 0 FCADLP Cc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001091096268 842960775 /nfs/dbraw/zinc/96/07/75/842960775.db2.gz PZHXHUQLKMDQBR-WKIYYKSKSA-N 2 2 353.492 0.550 20 0 FCADLP Cc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001091096268 842960784 /nfs/dbraw/zinc/96/07/84/842960784.db2.gz PZHXHUQLKMDQBR-WKIYYKSKSA-N 2 2 353.492 0.550 20 0 FCADLP CCc1noc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097333 842961365 /nfs/dbraw/zinc/96/13/65/842961365.db2.gz OVLODMXSQHHXGY-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1noc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097333 842961373 /nfs/dbraw/zinc/96/13/73/842961373.db2.gz OVLODMXSQHHXGY-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001092049661 843145809 /nfs/dbraw/zinc/14/58/09/843145809.db2.gz FQVSYWQZPVKFJR-VBQJREDUSA-N 2 2 366.487 0.167 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001092049661 843145812 /nfs/dbraw/zinc/14/58/12/843145812.db2.gz FQVSYWQZPVKFJR-VBQJREDUSA-N 2 2 366.487 0.167 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522696 843228948 /nfs/dbraw/zinc/22/89/48/843228948.db2.gz UEOPTNIQUBVRTA-CKEIUWERSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522696 843228961 /nfs/dbraw/zinc/22/89/61/843228961.db2.gz UEOPTNIQUBVRTA-CKEIUWERSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092522696 843228974 /nfs/dbraw/zinc/22/89/74/843228974.db2.gz UEOPTNIQUBVRTA-CKEIUWERSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092522696 843228986 /nfs/dbraw/zinc/22/89/86/843228986.db2.gz UEOPTNIQUBVRTA-CKEIUWERSA-N 2 2 350.438 0.735 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753789 843292982 /nfs/dbraw/zinc/29/29/82/843292982.db2.gz WHXAUWWBJOXKJP-JMSVASOKSA-N 2 2 351.451 0.298 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753789 843292993 /nfs/dbraw/zinc/29/29/93/843292993.db2.gz WHXAUWWBJOXKJP-JMSVASOKSA-N 2 2 351.451 0.298 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911475 843339712 /nfs/dbraw/zinc/33/97/12/843339712.db2.gz SFASBNFMKFEUQG-FMKPAKJESA-N 2 2 351.451 0.363 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911475 843339722 /nfs/dbraw/zinc/33/97/22/843339722.db2.gz SFASBNFMKFEUQG-FMKPAKJESA-N 2 2 351.451 0.363 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911475 843339734 /nfs/dbraw/zinc/33/97/34/843339734.db2.gz SFASBNFMKFEUQG-FMKPAKJESA-N 2 2 351.451 0.363 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911475 843339743 /nfs/dbraw/zinc/33/97/43/843339743.db2.gz SFASBNFMKFEUQG-FMKPAKJESA-N 2 2 351.451 0.363 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211232 843408952 /nfs/dbraw/zinc/40/89/52/843408952.db2.gz BNKKDKXUKIBUQJ-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211232 843408955 /nfs/dbraw/zinc/40/89/55/843408955.db2.gz BNKKDKXUKIBUQJ-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211232 843408958 /nfs/dbraw/zinc/40/89/58/843408958.db2.gz BNKKDKXUKIBUQJ-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211232 843408960 /nfs/dbraw/zinc/40/89/60/843408960.db2.gz BNKKDKXUKIBUQJ-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690794 843456934 /nfs/dbraw/zinc/45/69/34/843456934.db2.gz FFKDHADXROPNFA-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690794 843456941 /nfs/dbraw/zinc/45/69/41/843456941.db2.gz FFKDHADXROPNFA-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnns2)CC3)C1 ZINC001094384834 843547636 /nfs/dbraw/zinc/54/76/36/843547636.db2.gz LLQRKIHMRXAFNL-BFYDXBDKSA-N 2 2 365.503 0.730 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnns2)CC3)C1 ZINC001094384834 843547639 /nfs/dbraw/zinc/54/76/39/843547639.db2.gz LLQRKIHMRXAFNL-BFYDXBDKSA-N 2 2 365.503 0.730 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnns2)CC3)C1 ZINC001094384834 843547642 /nfs/dbraw/zinc/54/76/42/843547642.db2.gz LLQRKIHMRXAFNL-BFYDXBDKSA-N 2 2 365.503 0.730 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2cnns2)CC3)C1 ZINC001094384834 843547645 /nfs/dbraw/zinc/54/76/45/843547645.db2.gz LLQRKIHMRXAFNL-BFYDXBDKSA-N 2 2 365.503 0.730 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096016036 843772358 /nfs/dbraw/zinc/77/23/58/843772358.db2.gz XUQXZDSEUPOUBX-KHSSZTOVSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096016036 843772365 /nfs/dbraw/zinc/77/23/65/843772365.db2.gz XUQXZDSEUPOUBX-KHSSZTOVSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096016036 843772370 /nfs/dbraw/zinc/77/23/70/843772370.db2.gz XUQXZDSEUPOUBX-KHSSZTOVSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096016036 843772377 /nfs/dbraw/zinc/77/23/77/843772377.db2.gz XUQXZDSEUPOUBX-KHSSZTOVSA-N 2 2 354.470 0.666 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3cncc(Cl)n3)CC2)CC[N@@H+]1C ZINC001096305592 843790331 /nfs/dbraw/zinc/79/03/31/843790331.db2.gz DLVXFHCCVWVVKF-ZIAGYGMSSA-N 2 2 366.897 0.708 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3cncc(Cl)n3)CC2)CC[N@H+]1C ZINC001096305592 843790336 /nfs/dbraw/zinc/79/03/36/843790336.db2.gz DLVXFHCCVWVVKF-ZIAGYGMSSA-N 2 2 366.897 0.708 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001096887658 843829536 /nfs/dbraw/zinc/82/95/36/843829536.db2.gz PJNZQMNQBOFWOK-WCXIOVBPSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001096887658 843829545 /nfs/dbraw/zinc/82/95/45/843829545.db2.gz PJNZQMNQBOFWOK-WCXIOVBPSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001096887658 843829557 /nfs/dbraw/zinc/82/95/57/843829557.db2.gz PJNZQMNQBOFWOK-WCXIOVBPSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001096887658 843829561 /nfs/dbraw/zinc/82/95/61/843829561.db2.gz PJNZQMNQBOFWOK-WCXIOVBPSA-N 2 2 369.531 0.627 20 0 FCADLP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482603 843923874 /nfs/dbraw/zinc/92/38/74/843923874.db2.gz PZWBMXMXVJRCOO-FVQBIDKESA-N 2 2 350.463 0.190 20 0 FCADLP C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482603 843923878 /nfs/dbraw/zinc/92/38/78/843923878.db2.gz PZWBMXMXVJRCOO-FVQBIDKESA-N 2 2 350.463 0.190 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CC[NH+](CCF)CC2)O1 ZINC001098611148 843927288 /nfs/dbraw/zinc/92/72/88/843927288.db2.gz YAFZSCOXOVKBRU-BZUAXINKSA-N 2 2 357.470 0.757 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CC[NH+](CCF)CC2)O1 ZINC001098611148 843927294 /nfs/dbraw/zinc/92/72/94/843927294.db2.gz YAFZSCOXOVKBRU-BZUAXINKSA-N 2 2 357.470 0.757 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCc2ccns2)C3)C1 ZINC001098773961 843935278 /nfs/dbraw/zinc/93/52/78/843935278.db2.gz SBPIKEIVENBNCN-ZVZYQTTQSA-N 2 2 364.515 0.987 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCc2ccns2)C3)C1 ZINC001098773961 843935280 /nfs/dbraw/zinc/93/52/80/843935280.db2.gz SBPIKEIVENBNCN-ZVZYQTTQSA-N 2 2 364.515 0.987 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCc2ccns2)C3)C1 ZINC001098773961 843935283 /nfs/dbraw/zinc/93/52/83/843935283.db2.gz SBPIKEIVENBNCN-ZVZYQTTQSA-N 2 2 364.515 0.987 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCc2ccns2)C3)C1 ZINC001098773961 843935285 /nfs/dbraw/zinc/93/52/85/843935285.db2.gz SBPIKEIVENBNCN-ZVZYQTTQSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818769 844652127 /nfs/dbraw/zinc/65/21/27/844652127.db2.gz GNQHYKWEYJAMSK-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818769 844652130 /nfs/dbraw/zinc/65/21/30/844652130.db2.gz GNQHYKWEYJAMSK-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818769 844652132 /nfs/dbraw/zinc/65/21/32/844652132.db2.gz GNQHYKWEYJAMSK-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818769 844652135 /nfs/dbraw/zinc/65/21/35/844652135.db2.gz GNQHYKWEYJAMSK-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@H](CC(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001103479990 844765750 /nfs/dbraw/zinc/76/57/50/844765750.db2.gz XQINZLIZOKCYFK-BZUAXINKSA-N 2 2 370.519 0.953 20 0 FCADLP C[C@H](CC(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001103479990 844765758 /nfs/dbraw/zinc/76/57/58/844765758.db2.gz XQINZLIZOKCYFK-BZUAXINKSA-N 2 2 370.519 0.953 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@]2(C1)CN(C[C@@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609121 861495739 /nfs/dbraw/zinc/49/57/39/861495739.db2.gz HDKLEUAJMXSXLL-QAPCUYQASA-N 2 2 355.479 0.393 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@]2(C1)CN(C[C@@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609121 861495742 /nfs/dbraw/zinc/49/57/42/861495742.db2.gz HDKLEUAJMXSXLL-QAPCUYQASA-N 2 2 355.479 0.393 20 0 FCADLP Cc1noc(CN2C[C@]3(CC2=O)COCC[N@@H+](CCC[NH+](C)C)C3)n1 ZINC001276611789 861500811 /nfs/dbraw/zinc/50/08/11/861500811.db2.gz XDQUFQKKMWXOBL-QGZVFWFLSA-N 2 2 351.451 0.381 20 0 FCADLP Cc1noc(CN2C[C@]3(CC2=O)COCC[N@H+](CCC[NH+](C)C)C3)n1 ZINC001276611789 861500818 /nfs/dbraw/zinc/50/08/18/861500818.db2.gz XDQUFQKKMWXOBL-QGZVFWFLSA-N 2 2 351.451 0.381 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276611839 861500874 /nfs/dbraw/zinc/50/08/74/861500874.db2.gz YAFMVJYPIFJGTL-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276611839 861500882 /nfs/dbraw/zinc/50/08/82/861500882.db2.gz YAFMVJYPIFJGTL-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104440534 844912053 /nfs/dbraw/zinc/91/20/53/844912053.db2.gz KQTCOIZHYMGFRR-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104452772 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/nfs/dbraw/zinc/77/21/94/845772194.db2.gz FKWOFFLJIJQGQM-SNPRPXQTSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)on1 ZINC001109979921 845772197 /nfs/dbraw/zinc/77/21/97/845772197.db2.gz FKWOFFLJIJQGQM-SNPRPXQTSA-N 2 2 352.435 0.483 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110017987 845777654 /nfs/dbraw/zinc/77/76/54/845777654.db2.gz WJFMZGJABBGAFZ-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110017987 845777659 /nfs/dbraw/zinc/77/76/59/845777659.db2.gz WJFMZGJABBGAFZ-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110017987 845777665 /nfs/dbraw/zinc/77/76/65/845777665.db2.gz WJFMZGJABBGAFZ-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110017987 845777671 /nfs/dbraw/zinc/77/76/71/845777671.db2.gz WJFMZGJABBGAFZ-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101786 845789877 /nfs/dbraw/zinc/78/98/77/845789877.db2.gz FOIZVHFMVRCXDX-PMPSAXMXSA-N 2 2 372.535 0.085 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101786 845789882 /nfs/dbraw/zinc/78/98/82/845789882.db2.gz FOIZVHFMVRCXDX-PMPSAXMXSA-N 2 2 372.535 0.085 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386747 845875331 /nfs/dbraw/zinc/87/53/31/845875331.db2.gz VWSUPRGKMMYMCV-LVQVYYBASA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386747 845875334 /nfs/dbraw/zinc/87/53/34/845875334.db2.gz VWSUPRGKMMYMCV-LVQVYYBASA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110386747 845875341 /nfs/dbraw/zinc/87/53/41/845875341.db2.gz VWSUPRGKMMYMCV-LVQVYYBASA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110386747 845875350 /nfs/dbraw/zinc/87/53/50/845875350.db2.gz VWSUPRGKMMYMCV-LVQVYYBASA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386749 845875491 /nfs/dbraw/zinc/87/54/91/845875491.db2.gz VWSUPRGKMMYMCV-WCVJEAGWSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386749 845875500 /nfs/dbraw/zinc/87/55/00/845875500.db2.gz VWSUPRGKMMYMCV-WCVJEAGWSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110386749 845875509 /nfs/dbraw/zinc/87/55/09/845875509.db2.gz VWSUPRGKMMYMCV-WCVJEAGWSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110386749 845875513 /nfs/dbraw/zinc/87/55/13/845875513.db2.gz VWSUPRGKMMYMCV-WCVJEAGWSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665139 845944676 /nfs/dbraw/zinc/94/46/76/845944676.db2.gz MELDNUZKGSSGAM-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665139 845944680 /nfs/dbraw/zinc/94/46/80/845944680.db2.gz MELDNUZKGSSGAM-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)O1 ZINC001110707908 845953717 /nfs/dbraw/zinc/95/37/17/845953717.db2.gz ANCADDRTRXDUDB-ARILJUKYSA-N 2 2 361.433 0.709 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)O1 ZINC001110707908 845953725 /nfs/dbraw/zinc/95/37/25/845953725.db2.gz ANCADDRTRXDUDB-ARILJUKYSA-N 2 2 361.433 0.709 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(F)F)O1 ZINC001110707908 845953737 /nfs/dbraw/zinc/95/37/37/845953737.db2.gz ANCADDRTRXDUDB-ARILJUKYSA-N 2 2 361.433 0.709 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC(F)F)O1 ZINC001110707908 845953743 /nfs/dbraw/zinc/95/37/43/845953743.db2.gz ANCADDRTRXDUDB-ARILJUKYSA-N 2 2 361.433 0.709 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707835 845954225 /nfs/dbraw/zinc/95/42/25/845954225.db2.gz XEFBXKMHTAOETE-FPCVCCKLSA-N 2 2 350.463 0.655 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707835 845954228 /nfs/dbraw/zinc/95/42/28/845954228.db2.gz XEFBXKMHTAOETE-FPCVCCKLSA-N 2 2 350.463 0.655 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021385 846017162 /nfs/dbraw/zinc/01/71/62/846017162.db2.gz SBSYTRDGNVWUIW-FPCVCCKLSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021385 846017166 /nfs/dbraw/zinc/01/71/66/846017166.db2.gz SBSYTRDGNVWUIW-FPCVCCKLSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111021385 846017170 /nfs/dbraw/zinc/01/71/70/846017170.db2.gz SBSYTRDGNVWUIW-FPCVCCKLSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111021385 846017176 /nfs/dbraw/zinc/01/71/76/846017176.db2.gz SBSYTRDGNVWUIW-FPCVCCKLSA-N 2 2 372.535 0.132 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276826146 861636501 /nfs/dbraw/zinc/63/65/01/861636501.db2.gz BRICARSKPCDQFX-AEFFLSMTSA-N 2 2 350.463 0.488 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276826146 861636507 /nfs/dbraw/zinc/63/65/07/861636507.db2.gz BRICARSKPCDQFX-AEFFLSMTSA-N 2 2 350.463 0.488 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001111309275 846082573 /nfs/dbraw/zinc/08/25/73/846082573.db2.gz NCRWDBILQODCCA-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001111309275 846082580 /nfs/dbraw/zinc/08/25/80/846082580.db2.gz NCRWDBILQODCCA-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001111309275 846082590 /nfs/dbraw/zinc/08/25/90/846082590.db2.gz NCRWDBILQODCCA-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001111309275 846082595 /nfs/dbraw/zinc/08/25/95/846082595.db2.gz NCRWDBILQODCCA-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111466259 846118417 /nfs/dbraw/zinc/11/84/17/846118417.db2.gz OUBCRFQKTJKRIE-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111466259 846118421 /nfs/dbraw/zinc/11/84/21/846118421.db2.gz OUBCRFQKTJKRIE-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111466259 846118426 /nfs/dbraw/zinc/11/84/26/846118426.db2.gz OUBCRFQKTJKRIE-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111466259 846118433 /nfs/dbraw/zinc/11/84/33/846118433.db2.gz OUBCRFQKTJKRIE-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP Cc1cc(NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001111585735 846146811 /nfs/dbraw/zinc/14/68/11/846146811.db2.gz KHPAMBVUERCGAD-UKRRQHHQSA-N 2 2 351.451 0.045 20 0 FCADLP Cc1cc(NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001111585735 846146818 /nfs/dbraw/zinc/14/68/18/846146818.db2.gz KHPAMBVUERCGAD-UKRRQHHQSA-N 2 2 351.451 0.045 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962520 846276107 /nfs/dbraw/zinc/27/61/07/846276107.db2.gz AMVKUCXOFAVQQX-LESCRADOSA-N 2 2 350.463 0.331 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962520 846276122 /nfs/dbraw/zinc/27/61/22/846276122.db2.gz AMVKUCXOFAVQQX-LESCRADOSA-N 2 2 350.463 0.331 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112090625 846371741 /nfs/dbraw/zinc/37/17/41/846371741.db2.gz PRPRWVMMYZGGSK-VXGBXAGGSA-N 2 2 364.368 0.330 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154303 846422107 /nfs/dbraw/zinc/42/21/07/846422107.db2.gz FDUMOZCLLIKOOI-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112199491 846456918 /nfs/dbraw/zinc/45/69/18/846456918.db2.gz UNWMVTOPPKBITD-CKYFFXLPSA-N 2 2 361.368 0.374 20 0 FCADLP C[C@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367960 846983924 /nfs/dbraw/zinc/98/39/24/846983924.db2.gz AWENLOBPONSQBA-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367960 846983934 /nfs/dbraw/zinc/98/39/34/846983934.db2.gz AWENLOBPONSQBA-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC001117425663 847014675 /nfs/dbraw/zinc/01/46/75/847014675.db2.gz IUFYNZNPXLGRPI-CYBMUJFWSA-N 2 2 360.449 0.775 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC001117425663 847014684 /nfs/dbraw/zinc/01/46/84/847014684.db2.gz IUFYNZNPXLGRPI-CYBMUJFWSA-N 2 2 360.449 0.775 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001118311815 847376467 /nfs/dbraw/zinc/37/64/67/847376467.db2.gz LIXXHURMCAIKNV-HNNXBMFYSA-N 2 2 354.520 0.224 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001118311815 847376473 /nfs/dbraw/zinc/37/64/73/847376473.db2.gz LIXXHURMCAIKNV-HNNXBMFYSA-N 2 2 354.520 0.224 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)CN1CC[NH+]1CCOCC1 ZINC001120495255 848220923 /nfs/dbraw/zinc/22/09/23/848220923.db2.gz IUGNQAYRIAHIQZ-DLBZAZTESA-N 2 2 351.422 0.382 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC001120613148 848254238 /nfs/dbraw/zinc/25/42/38/848254238.db2.gz ZRLZSGXSQXAXFI-MRXNPFEDSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1CO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001122125255 848451548 /nfs/dbraw/zinc/45/15/48/848451548.db2.gz ZZYRINYFFUMKRF-RHSMWYFYSA-N 2 2 350.438 0.129 20 0 FCADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1CO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001122125256 848451852 /nfs/dbraw/zinc/45/18/52/848451852.db2.gz ZZYRINYFFUMKRF-WMLDXEAASA-N 2 2 350.438 0.129 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129337347 848832073 /nfs/dbraw/zinc/83/20/73/848832073.db2.gz CQAHKUYGZQHTII-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129337347 848832079 /nfs/dbraw/zinc/83/20/79/848832079.db2.gz CQAHKUYGZQHTII-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129461639 848847693 /nfs/dbraw/zinc/84/76/93/848847693.db2.gz YEZFBNINAGJRGA-OLZOCXBDSA-N 2 2 362.400 0.912 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129461639 848847699 /nfs/dbraw/zinc/84/76/99/848847699.db2.gz YEZFBNINAGJRGA-OLZOCXBDSA-N 2 2 362.400 0.912 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129461639 848847703 /nfs/dbraw/zinc/84/77/03/848847703.db2.gz YEZFBNINAGJRGA-OLZOCXBDSA-N 2 2 362.400 0.912 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129461639 848847706 /nfs/dbraw/zinc/84/77/06/848847706.db2.gz YEZFBNINAGJRGA-OLZOCXBDSA-N 2 2 362.400 0.912 20 0 FCADLP CN(Cc1cccs1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129903147 848911914 /nfs/dbraw/zinc/91/19/14/848911914.db2.gz VXJHBBIZNGODHH-ZIAGYGMSSA-N 2 2 361.471 0.939 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCc1cccs1 ZINC001129901319 848912422 /nfs/dbraw/zinc/91/24/22/848912422.db2.gz SLGCBOILSGVMFZ-IACUBPJLSA-N 2 2 361.471 0.985 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001129982248 848925963 /nfs/dbraw/zinc/92/59/63/848925963.db2.gz AGFCZVJKZXUFTJ-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)cs1 ZINC001129994426 848927527 /nfs/dbraw/zinc/92/75/27/848927527.db2.gz NAZLTAAQYRTNDZ-CABCVRRESA-N 2 2 363.491 0.536 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001130137324 848951137 /nfs/dbraw/zinc/95/11/37/848951137.db2.gz TYVDECXOQFGPBY-KGLIPLIRSA-N 2 2 363.491 0.617 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001130137324 848951142 /nfs/dbraw/zinc/95/11/42/848951142.db2.gz TYVDECXOQFGPBY-KGLIPLIRSA-N 2 2 363.491 0.617 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc3ccc(F)cc3o2)O1 ZINC001130184260 848963505 /nfs/dbraw/zinc/96/35/05/848963505.db2.gz IMHDCSDWHVALJD-IAQYHMDHSA-N 2 2 350.394 0.892 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc3ccc(F)cc3o2)O1 ZINC001130184260 848963510 /nfs/dbraw/zinc/96/35/10/848963510.db2.gz IMHDCSDWHVALJD-IAQYHMDHSA-N 2 2 350.394 0.892 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]C/C=C/Cl ZINC001130945824 849062578 /nfs/dbraw/zinc/06/25/78/849062578.db2.gz CWEFIROUZKKQDO-DDQPWMFSSA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]C/C=C/Cl ZINC001130945824 849062588 /nfs/dbraw/zinc/06/25/88/849062588.db2.gz CWEFIROUZKKQDO-DDQPWMFSSA-N 2 2 367.881 0.387 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1cnsn1 ZINC001131061444 849076143 /nfs/dbraw/zinc/07/61/43/849076143.db2.gz DSQDIMPFKHKVFL-ZIAGYGMSSA-N 2 2 363.491 0.308 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001131538386 849120172 /nfs/dbraw/zinc/12/01/72/849120172.db2.gz MTFMFNGUOACXSH-AEFFLSMTSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131612678 849131323 /nfs/dbraw/zinc/13/13/23/849131323.db2.gz NLKZRIHZAPLQAI-LESCRADOSA-N 2 2 350.463 0.904 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001134049792 849171351 /nfs/dbraw/zinc/17/13/51/849171351.db2.gz OUXDTOLXCHRZDD-CHWSQXEVSA-N 2 2 350.467 0.327 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136522984 849225754 /nfs/dbraw/zinc/22/57/54/849225754.db2.gz GDVLHDZDBYELNZ-ZJPYXAASSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136522984 849225763 /nfs/dbraw/zinc/22/57/63/849225763.db2.gz GDVLHDZDBYELNZ-ZJPYXAASSA-N 2 2 353.507 0.933 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[N@H+](C)C(C)C ZINC001142584240 849452249 /nfs/dbraw/zinc/45/22/49/849452249.db2.gz OSICFRBMYKAQDK-QAPCUYQASA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001142584240 849452252 /nfs/dbraw/zinc/45/22/52/849452252.db2.gz OSICFRBMYKAQDK-QAPCUYQASA-N 2 2 355.479 0.582 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277718569 862029299 /nfs/dbraw/zinc/02/92/99/862029299.db2.gz GSHNXIUSWVJNLK-CVEARBPZSA-N 2 2 350.463 0.499 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)CC1 ZINC001152771519 849725017 /nfs/dbraw/zinc/72/50/17/849725017.db2.gz KMVKFPPYYRITNT-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)CC1 ZINC001152771519 849725022 /nfs/dbraw/zinc/72/50/22/849725022.db2.gz KMVKFPPYYRITNT-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@@H+]2C1 ZINC001154930693 849822588 /nfs/dbraw/zinc/82/25/88/849822588.db2.gz AONMYCHAGQWURI-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@H+]2C1 ZINC001154930693 849822596 /nfs/dbraw/zinc/82/25/96/849822596.db2.gz AONMYCHAGQWURI-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCC[N@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930693 849822604 /nfs/dbraw/zinc/82/26/04/849822604.db2.gz AONMYCHAGQWURI-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCC[N@@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930693 849822610 /nfs/dbraw/zinc/82/26/10/849822610.db2.gz AONMYCHAGQWURI-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC001157916458 850005048 /nfs/dbraw/zinc/00/50/48/850005048.db2.gz ZXQJWKKMPMNVMB-UHFFFAOYSA-N 2 2 352.464 0.460 20 0 FCADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158257476 850029393 /nfs/dbraw/zinc/02/93/93/850029393.db2.gz WRWIZMJVZOFMGU-BZUAXINKSA-N 2 2 350.463 0.257 20 0 FCADLP CCNC(=O)c1cc(Cl)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158267665 850032475 /nfs/dbraw/zinc/03/24/75/850032475.db2.gz UDWXDNKIUQFNPU-LLVKDONJSA-N 2 2 352.870 0.882 20 0 FCADLP CCNC(=O)c1cc(Cl)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158267665 850032481 /nfs/dbraw/zinc/03/24/81/850032481.db2.gz UDWXDNKIUQFNPU-LLVKDONJSA-N 2 2 352.870 0.882 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001159076893 850094219 /nfs/dbraw/zinc/09/42/19/850094219.db2.gz LCUZQGRPSMNGIJ-OLMNPRSZSA-N 2 2 353.463 0.241 20 0 FCADLP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160566 850098354 /nfs/dbraw/zinc/09/83/54/850098354.db2.gz LMEBJNOFSCOCNU-DOXZYTNZSA-N 3 2 350.507 0.476 20 0 FCADLP CC[C@@H]1N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCC[C@]12CCC(=O)N2CCOC ZINC001159275469 850105123 /nfs/dbraw/zinc/10/51/23/850105123.db2.gz FTGCMERIYFICQG-LLDVTBCESA-N 2 2 352.479 0.084 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834270 850139407 /nfs/dbraw/zinc/13/94/07/850139407.db2.gz UODOINIOFYUXRN-GOEBONIOSA-N 3 2 363.531 0.908 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834270 850139410 /nfs/dbraw/zinc/13/94/10/850139410.db2.gz UODOINIOFYUXRN-GOEBONIOSA-N 3 2 363.531 0.908 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832232 850140015 /nfs/dbraw/zinc/14/00/15/850140015.db2.gz BGKORXYDRPDRKS-VHDGCEQUSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832232 850140019 /nfs/dbraw/zinc/14/00/19/850140019.db2.gz BGKORXYDRPDRKS-VHDGCEQUSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832232 850140026 /nfs/dbraw/zinc/14/00/26/850140026.db2.gz BGKORXYDRPDRKS-VHDGCEQUSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832232 850140032 /nfs/dbraw/zinc/14/00/32/850140032.db2.gz BGKORXYDRPDRKS-VHDGCEQUSA-N 2 2 360.487 0.859 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CC[NH2+]C[C@H]1F)C2 ZINC001160381112 850168536 /nfs/dbraw/zinc/16/85/36/850168536.db2.gz QKMFXZCBKLPZOH-ZIAGYGMSSA-N 2 2 352.458 0.798 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1CC[NH2+]C[C@H]1F)C2 ZINC001160381112 850168542 /nfs/dbraw/zinc/16/85/42/850168542.db2.gz QKMFXZCBKLPZOH-ZIAGYGMSSA-N 2 2 352.458 0.798 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCn2c(Br)cnc2C1 ZINC001160542263 850179737 /nfs/dbraw/zinc/17/97/37/850179737.db2.gz QUPLWICMYWXXQY-JTQLQIEISA-N 2 2 353.224 0.291 20 0 FCADLP [NH3+]C1(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)CC[NH2+]CC1 ZINC001160841982 850203738 /nfs/dbraw/zinc/20/37/38/850203738.db2.gz BUVPRUIVGQKZSK-UHFFFAOYSA-N 2 2 358.368 0.225 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1)c1ccccc1 ZINC001160906666 850212326 /nfs/dbraw/zinc/21/23/26/850212326.db2.gz KAQJCIJKQGXAEV-DLBZAZTESA-N 3 2 366.531 0.538 20 0 FCADLP CCC[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800437 862104112 /nfs/dbraw/zinc/10/41/12/862104112.db2.gz GVGWKDWCYFANSA-SJLPKXTDSA-N 2 2 350.463 0.595 20 0 FCADLP CCC[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800437 862104118 /nfs/dbraw/zinc/10/41/18/862104118.db2.gz GVGWKDWCYFANSA-SJLPKXTDSA-N 2 2 350.463 0.595 20 0 FCADLP CSc1nc(Cl)cc(N2CCCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)n1 ZINC001161057486 850226317 /nfs/dbraw/zinc/22/63/17/850226317.db2.gz YOSMMIPGKIKLLY-QWRGUYRKSA-N 2 2 370.910 0.580 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N(CC)C1C[NH+](C)C1 ZINC001161136919 850233419 /nfs/dbraw/zinc/23/34/19/850233419.db2.gz AGHKISSCPWTGJY-QEJZJMRPSA-N 2 2 358.552 0.760 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CSCc2ccc(C)cc2)C1 ZINC001161137986 850233578 /nfs/dbraw/zinc/23/35/78/850233578.db2.gz JPMZKOFVZBQVBZ-YOEHRIQHSA-N 2 2 351.472 0.658 20 0 FCADLP [NH3+]CCNCC(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161516546 850266507 /nfs/dbraw/zinc/26/65/07/850266507.db2.gz DKYRIARGPXAWGJ-UHFFFAOYSA-N 2 2 350.438 0.481 20 0 FCADLP O=C(N1CC[C@@H](n2cc(Br)cn2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161520560 850266951 /nfs/dbraw/zinc/26/69/51/850266951.db2.gz QXYUTURKAANAIZ-MPKXVKKWSA-N 2 2 354.252 0.371 20 0 FCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996145 850342486 /nfs/dbraw/zinc/34/24/86/850342486.db2.gz NMPQPXKMSIMPCM-BBWFWOEESA-N 2 2 357.495 0.123 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2COCCOC ZINC001277836173 862123540 /nfs/dbraw/zinc/12/35/40/862123540.db2.gz NUGDSZCPNYRGID-BRWVUGGUSA-N 2 2 357.495 0.375 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2COCCOC ZINC001277836173 862123546 /nfs/dbraw/zinc/12/35/46/862123546.db2.gz NUGDSZCPNYRGID-BRWVUGGUSA-N 2 2 357.495 0.375 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837095 862124574 /nfs/dbraw/zinc/12/45/74/862124574.db2.gz UQCJOQWONLMOQA-UKRRQHHQSA-N 2 2 367.412 0.555 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837095 862124579 /nfs/dbraw/zinc/12/45/79/862124579.db2.gz UQCJOQWONLMOQA-UKRRQHHQSA-N 2 2 367.412 0.555 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166968049 850516585 /nfs/dbraw/zinc/51/65/85/850516585.db2.gz KNZOFIRVTGMRJC-BZUAXINKSA-N 2 2 352.479 0.653 20 0 FCADLP COC(=O)[C@@H](CCC[NH3+])Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001167902484 850562429 /nfs/dbraw/zinc/56/24/29/850562429.db2.gz YKRLNCHRJPZHDW-OAHLLOKOSA-N 2 2 352.435 0.485 20 0 FCADLP COCOc1ccc(CC(=O)OC)cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740118 850592514 /nfs/dbraw/zinc/59/25/14/850592514.db2.gz DFGVJKCMBBNOCB-UHFFFAOYSA-N 2 2 350.419 0.979 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)cc([C@H]2CCC(=O)NC2)n1 ZINC001169071325 850604075 /nfs/dbraw/zinc/60/40/75/850604075.db2.gz JYHCAXXBLUEQFV-VHSXEESVSA-N 2 2 350.810 0.171 20 0 FCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169369659 850619530 /nfs/dbraw/zinc/61/95/30/850619530.db2.gz HTDIXNATPVEFJI-ZOBORPQBSA-N 2 2 357.451 0.633 20 0 FCADLP CCOC(=O)CN(CC[NH3+])c1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001170996602 850673775 /nfs/dbraw/zinc/67/37/75/850673775.db2.gz VRWLIELGOKJFBC-UHFFFAOYSA-N 2 2 352.435 0.121 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc3n(n2)CCC[N@H+](C)C3)O1 ZINC001175105431 850752949 /nfs/dbraw/zinc/75/29/49/850752949.db2.gz YXRIZWLINDRTGR-INMHGKMJSA-N 2 2 351.451 0.173 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc3n(n2)CCC[N@@H+](C)C3)O1 ZINC001175105431 850752955 /nfs/dbraw/zinc/75/29/55/850752955.db2.gz YXRIZWLINDRTGR-INMHGKMJSA-N 2 2 351.451 0.173 20 0 FCADLP CS(=O)(=O)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178743646 850924126 /nfs/dbraw/zinc/92/41/26/850924126.db2.gz HSRSNYLWDFIFDD-ZIAGYGMSSA-N 2 2 356.492 0.824 20 0 FCADLP CS(=O)(=O)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178743646 850924133 /nfs/dbraw/zinc/92/41/33/850924133.db2.gz HSRSNYLWDFIFDD-ZIAGYGMSSA-N 2 2 356.492 0.824 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759784 851063825 /nfs/dbraw/zinc/06/38/25/851063825.db2.gz RGVLTKKNQXUJAO-KKUMJFAQSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759784 851063834 /nfs/dbraw/zinc/06/38/34/851063834.db2.gz RGVLTKKNQXUJAO-KKUMJFAQSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001180759784 851063839 /nfs/dbraw/zinc/06/38/39/851063839.db2.gz RGVLTKKNQXUJAO-KKUMJFAQSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001180759784 851063849 /nfs/dbraw/zinc/06/38/49/851063849.db2.gz RGVLTKKNQXUJAO-KKUMJFAQSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001188106924 851645768 /nfs/dbraw/zinc/64/57/68/851645768.db2.gz CVFRUVBTXDJDPR-CWRNSKLLSA-N 2 2 354.470 0.478 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001188561362 851709315 /nfs/dbraw/zinc/70/93/15/851709315.db2.gz BGILNGUNCXGMQS-VNQPRFMTSA-N 2 2 368.503 0.405 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001188561362 851709321 /nfs/dbraw/zinc/70/93/21/851709321.db2.gz BGILNGUNCXGMQS-VNQPRFMTSA-N 2 2 368.503 0.405 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819369 851729579 /nfs/dbraw/zinc/72/95/79/851729579.db2.gz WEYULFPLUIMEMP-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819369 851729582 /nfs/dbraw/zinc/72/95/82/851729582.db2.gz WEYULFPLUIMEMP-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188819369 851729584 /nfs/dbraw/zinc/72/95/84/851729584.db2.gz WEYULFPLUIMEMP-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188819369 851729586 /nfs/dbraw/zinc/72/95/86/851729586.db2.gz WEYULFPLUIMEMP-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995992 851742207 /nfs/dbraw/zinc/74/22/07/851742207.db2.gz ZABUYCFCJQUQEW-WBVHZDCISA-N 2 2 352.504 0.589 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995992 851742211 /nfs/dbraw/zinc/74/22/11/851742211.db2.gz ZABUYCFCJQUQEW-WBVHZDCISA-N 2 2 352.504 0.589 20 0 FCADLP CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899425 851979971 /nfs/dbraw/zinc/97/99/71/851979971.db2.gz JYPYOBRZKMAOPB-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899425 851979974 /nfs/dbraw/zinc/97/99/74/851979974.db2.gz JYPYOBRZKMAOPB-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899425 851979975 /nfs/dbraw/zinc/97/99/75/851979975.db2.gz JYPYOBRZKMAOPB-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899425 851979978 /nfs/dbraw/zinc/97/99/78/851979978.db2.gz JYPYOBRZKMAOPB-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CCOC(=O)c1[nH]ccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278396047 862313955 /nfs/dbraw/zinc/31/39/55/862313955.db2.gz WYIORSCPRFQRSX-CVEARBPZSA-N 2 2 350.463 0.638 20 0 FCADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278396047 862313971 /nfs/dbraw/zinc/31/39/71/862313971.db2.gz WYIORSCPRFQRSX-CVEARBPZSA-N 2 2 350.463 0.638 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1O ZINC001193447222 852429324 /nfs/dbraw/zinc/42/93/24/852429324.db2.gz NTQPPFXJHMGSKI-GVDBMIGSSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1O ZINC001193447222 852429325 /nfs/dbraw/zinc/42/93/25/852429325.db2.gz NTQPPFXJHMGSKI-GVDBMIGSSA-N 2 2 352.454 0.731 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193746871 852480784 /nfs/dbraw/zinc/48/07/84/852480784.db2.gz SLKDHRRSIURYKV-HUUCEWRRSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193746871 852480789 /nfs/dbraw/zinc/48/07/89/852480789.db2.gz SLKDHRRSIURYKV-HUUCEWRRSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782314 852487462 /nfs/dbraw/zinc/48/74/62/852487462.db2.gz WGIGGCDWXUCQJE-BZUAXINKSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782314 852487467 /nfs/dbraw/zinc/48/74/67/852487467.db2.gz WGIGGCDWXUCQJE-BZUAXINKSA-N 2 2 352.504 0.761 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001194244537 852563680 /nfs/dbraw/zinc/56/36/80/852563680.db2.gz RIRWRTFEUMNUHS-ARFHVFGLSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001194244537 852563683 /nfs/dbraw/zinc/56/36/83/852563683.db2.gz RIRWRTFEUMNUHS-ARFHVFGLSA-N 2 2 350.463 0.422 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265661 852569518 /nfs/dbraw/zinc/56/95/18/852569518.db2.gz VGGBKEAWWJGQSB-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265661 852569521 /nfs/dbraw/zinc/56/95/21/852569521.db2.gz VGGBKEAWWJGQSB-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194265661 852569523 /nfs/dbraw/zinc/56/95/23/852569523.db2.gz VGGBKEAWWJGQSB-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@H]2CC1 ZINC001278560428 862370843 /nfs/dbraw/zinc/37/08/43/862370843.db2.gz CAAVFKDGSQLIDM-OKILXGFUSA-N 2 2 352.435 0.652 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@H]2CC1 ZINC001278560428 862370864 /nfs/dbraw/zinc/37/08/64/862370864.db2.gz CAAVFKDGSQLIDM-OKILXGFUSA-N 2 2 352.435 0.652 20 0 FCADLP COCCOC[NH+]1CC[C@H]2C[N@@H+](CC3C(=O)N=CNC3=O)C[C@H]2CC1 ZINC001278560428 862370881 /nfs/dbraw/zinc/37/08/81/862370881.db2.gz CAAVFKDGSQLIDM-OKILXGFUSA-N 2 2 352.435 0.652 20 0 FCADLP COCCOC[NH+]1CC[C@H]2C[N@H+](CC3C(=O)N=CNC3=O)C[C@H]2CC1 ZINC001278560428 862370897 /nfs/dbraw/zinc/37/08/97/862370897.db2.gz CAAVFKDGSQLIDM-OKILXGFUSA-N 2 2 352.435 0.652 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc2Cl)CC1 ZINC001194655857 852625994 /nfs/dbraw/zinc/62/59/94/852625994.db2.gz ONQYOFCMMHINBW-UHFFFAOYSA-N 2 2 374.894 0.452 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001194908267 852669692 /nfs/dbraw/zinc/66/96/92/852669692.db2.gz ACJQWOYENQWFCL-RBSFLKMASA-N 2 2 350.463 0.329 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001194908267 852669697 /nfs/dbraw/zinc/66/96/97/852669697.db2.gz ACJQWOYENQWFCL-RBSFLKMASA-N 2 2 350.463 0.329 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001194923893 852672581 /nfs/dbraw/zinc/67/25/81/852672581.db2.gz JYKFDXOHBZZYRF-IIAWOOMASA-N 2 2 361.433 0.304 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001194923893 852672583 /nfs/dbraw/zinc/67/25/83/852672583.db2.gz JYKFDXOHBZZYRF-IIAWOOMASA-N 2 2 361.433 0.304 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001195149564 852714957 /nfs/dbraw/zinc/71/49/57/852714957.db2.gz SXUPSDRBCHBICV-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001195149564 852714964 /nfs/dbraw/zinc/71/49/64/852714964.db2.gz SXUPSDRBCHBICV-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184774 852906410 /nfs/dbraw/zinc/90/64/10/852906410.db2.gz HYHCXNZMDCJQHB-YNEHKIRRSA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184774 852906418 /nfs/dbraw/zinc/90/64/18/852906418.db2.gz HYHCXNZMDCJQHB-YNEHKIRRSA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184774 852906431 /nfs/dbraw/zinc/90/64/31/852906431.db2.gz HYHCXNZMDCJQHB-YNEHKIRRSA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)C1 ZINC001196184774 852906442 /nfs/dbraw/zinc/90/64/42/852906442.db2.gz HYHCXNZMDCJQHB-YNEHKIRRSA-N 2 2 367.412 0.193 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196500368 852966952 /nfs/dbraw/zinc/96/69/52/852966952.db2.gz SJEUYRYBWWQDDH-DJIMGWMZSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196500368 852966957 /nfs/dbraw/zinc/96/69/57/852966957.db2.gz SJEUYRYBWWQDDH-DJIMGWMZSA-N 2 2 350.463 0.812 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)s1 ZINC001196940373 853035797 /nfs/dbraw/zinc/03/57/97/853035797.db2.gz RGPMNDWLNFGKNW-HUUCEWRRSA-N 2 2 368.503 0.144 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)s1 ZINC001196940373 853035805 /nfs/dbraw/zinc/03/58/05/853035805.db2.gz RGPMNDWLNFGKNW-HUUCEWRRSA-N 2 2 368.503 0.144 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1O ZINC001197782979 853161782 /nfs/dbraw/zinc/16/17/82/853161782.db2.gz LZKPVVRWZZOWMY-HZPDHXFCSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1O ZINC001197782979 853161786 /nfs/dbraw/zinc/16/17/86/853161786.db2.gz LZKPVVRWZZOWMY-HZPDHXFCSA-N 2 2 355.866 0.580 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001198028844 853206455 /nfs/dbraw/zinc/20/64/55/853206455.db2.gz JVUADQFWSVNTPZ-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001198028844 853206461 /nfs/dbraw/zinc/20/64/61/853206461.db2.gz JVUADQFWSVNTPZ-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001198028844 853206471 /nfs/dbraw/zinc/20/64/71/853206471.db2.gz JVUADQFWSVNTPZ-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001198028844 853206478 /nfs/dbraw/zinc/20/64/78/853206478.db2.gz JVUADQFWSVNTPZ-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275833 853243321 /nfs/dbraw/zinc/24/33/21/853243321.db2.gz BSLWXIDVGWHXPW-IAGOWNOFSA-N 2 2 352.479 0.577 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275833 853243328 /nfs/dbraw/zinc/24/33/28/853243328.db2.gz BSLWXIDVGWHXPW-IAGOWNOFSA-N 2 2 352.479 0.577 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCC1 ZINC001198291619 853244996 /nfs/dbraw/zinc/24/49/96/853244996.db2.gz DGBMKDOUVLGEBS-ZACQAIPSSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCC1 ZINC001198291619 853245007 /nfs/dbraw/zinc/24/50/07/853245007.db2.gz DGBMKDOUVLGEBS-ZACQAIPSSA-N 2 2 350.463 0.329 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001199127970 853375028 /nfs/dbraw/zinc/37/50/28/853375028.db2.gz LXZVAWMDBCPOTI-IIAWOOMASA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001199127970 853375032 /nfs/dbraw/zinc/37/50/32/853375032.db2.gz LXZVAWMDBCPOTI-IIAWOOMASA-N 2 2 363.449 0.550 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC001199360324 853413966 /nfs/dbraw/zinc/41/39/66/853413966.db2.gz KWBXYSGNTRJTPN-JOCQHMNTSA-N 2 2 352.460 0.139 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CCC1 ZINC001199397842 853419355 /nfs/dbraw/zinc/41/93/55/853419355.db2.gz DBTWQWOWTCZVCR-ZACQAIPSSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CCC1 ZINC001199397842 853419360 /nfs/dbraw/zinc/41/93/60/853419360.db2.gz DBTWQWOWTCZVCR-ZACQAIPSSA-N 2 2 350.463 0.640 20 0 FCADLP Cn1ncc(I)c1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205248760 853602086 /nfs/dbraw/zinc/60/20/86/853602086.db2.gz SFZHLZLPASRIKL-GFCCVEGCSA-N 2 2 364.231 0.700 20 0 FCADLP Cn1ncc(I)c1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205248760 853602094 /nfs/dbraw/zinc/60/20/94/853602094.db2.gz SFZHLZLPASRIKL-GFCCVEGCSA-N 2 2 364.231 0.700 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586361 853701561 /nfs/dbraw/zinc/70/15/61/853701561.db2.gz XOSRMGSWCOVDSY-KFWWJZLASA-N 2 2 353.511 0.615 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586361 853701565 /nfs/dbraw/zinc/70/15/65/853701565.db2.gz XOSRMGSWCOVDSY-KFWWJZLASA-N 2 2 353.511 0.615 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206586361 853701569 /nfs/dbraw/zinc/70/15/69/853701569.db2.gz XOSRMGSWCOVDSY-KFWWJZLASA-N 2 2 353.511 0.615 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206586361 853701574 /nfs/dbraw/zinc/70/15/74/853701574.db2.gz XOSRMGSWCOVDSY-KFWWJZLASA-N 2 2 353.511 0.615 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207547508 853823648 /nfs/dbraw/zinc/82/36/48/853823648.db2.gz ZFTSWSPNJYYLEG-HUUCEWRRSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207547508 853823654 /nfs/dbraw/zinc/82/36/54/853823654.db2.gz ZFTSWSPNJYYLEG-HUUCEWRRSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001207659299 853835724 /nfs/dbraw/zinc/83/57/24/853835724.db2.gz RJUSKXUUPGXRSA-BRWVUGGUSA-N 2 2 352.479 0.916 20 0 FCADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001207659299 853835729 /nfs/dbraw/zinc/83/57/29/853835729.db2.gz RJUSKXUUPGXRSA-BRWVUGGUSA-N 2 2 352.479 0.916 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001208250428 853907858 /nfs/dbraw/zinc/90/78/58/853907858.db2.gz KUAKPCIFJMGVRM-RRFJBIMHSA-N 2 2 356.492 0.390 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001208250428 853907863 /nfs/dbraw/zinc/90/78/63/853907863.db2.gz KUAKPCIFJMGVRM-RRFJBIMHSA-N 2 2 356.492 0.390 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252223 853907910 /nfs/dbraw/zinc/90/79/10/853907910.db2.gz FGJQWHGROCFSJK-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252223 853907915 /nfs/dbraw/zinc/90/79/15/853907915.db2.gz FGJQWHGROCFSJK-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP COCOCCC[N@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001209025976 853990727 /nfs/dbraw/zinc/99/07/27/853990727.db2.gz KGNXDIXNBPJRGT-KRWDZBQOSA-N 2 2 351.495 0.573 20 0 FCADLP COCOCCC[N@@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001209025976 853990730 /nfs/dbraw/zinc/99/07/30/853990730.db2.gz KGNXDIXNBPJRGT-KRWDZBQOSA-N 2 2 351.495 0.573 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507138 854033185 /nfs/dbraw/zinc/03/31/85/854033185.db2.gz ZYNAOOBHQNERFN-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507138 854033189 /nfs/dbraw/zinc/03/31/89/854033189.db2.gz ZYNAOOBHQNERFN-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285453 854095561 /nfs/dbraw/zinc/09/55/61/854095561.db2.gz YSKNIPGGJRPOND-HYVNUMGLSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285453 854095566 /nfs/dbraw/zinc/09/55/66/854095566.db2.gz YSKNIPGGJRPOND-HYVNUMGLSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032170 854148007 /nfs/dbraw/zinc/14/80/07/854148007.db2.gz ULDWKHOHCJFQSP-HUUCEWRRSA-N 2 2 353.511 0.616 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032170 854148009 /nfs/dbraw/zinc/14/80/09/854148009.db2.gz ULDWKHOHCJFQSP-HUUCEWRRSA-N 2 2 353.511 0.616 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211046982 854149892 /nfs/dbraw/zinc/14/98/92/854149892.db2.gz XRKPQGMDSRWHMR-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211046982 854149898 /nfs/dbraw/zinc/14/98/98/854149898.db2.gz XRKPQGMDSRWHMR-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046007 854150201 /nfs/dbraw/zinc/15/02/01/854150201.db2.gz HDTKDSJCOVYRPH-UMVBOHGHSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046007 854150206 /nfs/dbraw/zinc/15/02/06/854150206.db2.gz HDTKDSJCOVYRPH-UMVBOHGHSA-N 2 2 367.519 0.751 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451944 854201284 /nfs/dbraw/zinc/20/12/84/854201284.db2.gz LZTBRTYENQCTLW-FRRDWIJNSA-N 2 2 364.368 0.259 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451944 854201292 /nfs/dbraw/zinc/20/12/92/854201292.db2.gz LZTBRTYENQCTLW-FRRDWIJNSA-N 2 2 364.368 0.259 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385158 854459133 /nfs/dbraw/zinc/45/91/33/854459133.db2.gz IBYHOPDTUQFATI-USXIJHARSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385158 854459134 /nfs/dbraw/zinc/45/91/34/854459134.db2.gz IBYHOPDTUQFATI-USXIJHARSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385158 854459136 /nfs/dbraw/zinc/45/91/36/854459136.db2.gz IBYHOPDTUQFATI-USXIJHARSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385158 854459137 /nfs/dbraw/zinc/45/91/37/854459137.db2.gz IBYHOPDTUQFATI-USXIJHARSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212406362 854466141 /nfs/dbraw/zinc/46/61/41/854466141.db2.gz PPHOJJQOOHJDKY-MCIONIFRSA-N 2 2 367.412 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212406362 854466145 /nfs/dbraw/zinc/46/61/45/854466145.db2.gz PPHOJJQOOHJDKY-MCIONIFRSA-N 2 2 367.412 0.721 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407867 854466290 /nfs/dbraw/zinc/46/62/90/854466290.db2.gz GXVFTVNLWJOQFN-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407867 854466293 /nfs/dbraw/zinc/46/62/93/854466293.db2.gz GXVFTVNLWJOQFN-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410057 854467693 /nfs/dbraw/zinc/46/76/93/854467693.db2.gz NGQDPLAHMLEXSW-ZACQAIPSSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410057 854467704 /nfs/dbraw/zinc/46/77/04/854467704.db2.gz NGQDPLAHMLEXSW-ZACQAIPSSA-N 2 2 350.463 0.893 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414825 854469400 /nfs/dbraw/zinc/46/94/00/854469400.db2.gz VPMIJRXWWDPORA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414825 854469406 /nfs/dbraw/zinc/46/94/06/854469406.db2.gz VPMIJRXWWDPORA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414825 854469410 /nfs/dbraw/zinc/46/94/10/854469410.db2.gz VPMIJRXWWDPORA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414825 854469417 /nfs/dbraw/zinc/46/94/17/854469417.db2.gz VPMIJRXWWDPORA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370281 854590846 /nfs/dbraw/zinc/59/08/46/854590846.db2.gz DGSUJSNLJSMDQI-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370281 854590849 /nfs/dbraw/zinc/59/08/49/854590849.db2.gz DGSUJSNLJSMDQI-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500247 854641304 /nfs/dbraw/zinc/64/13/04/854641304.db2.gz OITRMEHAWMPVLX-ARFHVFGLSA-N 2 2 354.451 0.313 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500247 854641317 /nfs/dbraw/zinc/64/13/17/854641317.db2.gz OITRMEHAWMPVLX-ARFHVFGLSA-N 2 2 354.451 0.313 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578637 854673101 /nfs/dbraw/zinc/67/31/01/854673101.db2.gz VLZJSYFCNCSHOE-RBSFLKMASA-N 2 2 351.451 0.051 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578637 854673109 /nfs/dbraw/zinc/67/31/09/854673109.db2.gz VLZJSYFCNCSHOE-RBSFLKMASA-N 2 2 351.451 0.051 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213753475 854751873 /nfs/dbraw/zinc/75/18/73/854751873.db2.gz IHXYBNWPNWTFIX-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213753475 854751875 /nfs/dbraw/zinc/75/18/75/854751875.db2.gz IHXYBNWPNWTFIX-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860034 854795285 /nfs/dbraw/zinc/79/52/85/854795285.db2.gz QVEWJNFOHQQEAA-YNEHKIRRSA-N 2 2 364.368 0.320 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860034 854795292 /nfs/dbraw/zinc/79/52/92/854795292.db2.gz QVEWJNFOHQQEAA-YNEHKIRRSA-N 2 2 364.368 0.320 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860043 854796075 /nfs/dbraw/zinc/79/60/75/854796075.db2.gz RAPDUDFCVWXIJT-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860043 854796077 /nfs/dbraw/zinc/79/60/77/854796077.db2.gz RAPDUDFCVWXIJT-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531075 854964105 /nfs/dbraw/zinc/96/41/05/854964105.db2.gz MVSRURBPVATBMM-ZIAGYGMSSA-N 2 2 371.507 0.108 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214964643 855040615 /nfs/dbraw/zinc/04/06/15/855040615.db2.gz JZEYXYAYBGCBRY-IAQYHMDHSA-N 2 2 350.444 0.658 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001215001924 855050325 /nfs/dbraw/zinc/05/03/25/855050325.db2.gz USTFKGZVKZRZCS-CHWSQXEVSA-N 2 2 353.467 0.883 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001215001924 855050332 /nfs/dbraw/zinc/05/03/32/855050332.db2.gz USTFKGZVKZRZCS-CHWSQXEVSA-N 2 2 353.467 0.883 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)C2 ZINC001215006358 855051120 /nfs/dbraw/zinc/05/11/20/855051120.db2.gz VGMTXEWJVRMNQW-SUYBPPKGSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)CC2 ZINC001215006358 855051128 /nfs/dbraw/zinc/05/11/28/855051128.db2.gz VGMTXEWJVRMNQW-SUYBPPKGSA-N 2 2 350.463 0.268 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511245 855122794 /nfs/dbraw/zinc/12/27/94/855122794.db2.gz IQTDIIXGXLJAKX-IJEWVQPXSA-N 2 2 350.463 0.929 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215685204 855136446 /nfs/dbraw/zinc/13/64/46/855136446.db2.gz OPNHMDDXOHUJIL-JFGNBEQYSA-N 2 2 361.368 0.456 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H](O)COCC(F)(F)F ZINC001216064587 855167457 /nfs/dbraw/zinc/16/74/57/855167457.db2.gz CWNFHPICFSGKNC-GRYCIOLGSA-N 2 2 364.368 0.329 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392643 855198585 /nfs/dbraw/zinc/19/85/85/855198585.db2.gz KMADZIOPBMTLMI-GDBMZVCRSA-N 2 2 370.519 0.612 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001216396575 855198696 /nfs/dbraw/zinc/19/86/96/855198696.db2.gz CUIWLLYJBWDYTF-MGPQQGTHSA-N 2 2 370.519 0.805 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)CS(C)(=O)=O ZINC001216630688 855219845 /nfs/dbraw/zinc/21/98/45/855219845.db2.gz NIEBIEDNWDOSSE-SQWLQELKSA-N 2 2 370.519 0.470 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCOC[C@H]1CCCCO1 ZINC001217010183 855274905 /nfs/dbraw/zinc/27/49/05/855274905.db2.gz JEWUCLVGTSORMK-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217596321 855352264 /nfs/dbraw/zinc/35/22/64/855352264.db2.gz WOMNKDSPNCCSRN-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217596321 855352268 /nfs/dbraw/zinc/35/22/68/855352268.db2.gz WOMNKDSPNCCSRN-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP COCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217596321 855352271 /nfs/dbraw/zinc/35/22/71/855352271.db2.gz WOMNKDSPNCCSRN-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP COCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217596321 855352276 /nfs/dbraw/zinc/35/22/76/855352276.db2.gz WOMNKDSPNCCSRN-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP CC(C)C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21)n1cc[nH+]c1 ZINC001218148024 855401774 /nfs/dbraw/zinc/40/17/74/855401774.db2.gz MWUZPVGEXLQDJT-IXDOHACOSA-N 2 2 350.463 0.764 20 0 FCADLP CC(C)C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)n1cc[nH+]c1 ZINC001218148024 855401776 /nfs/dbraw/zinc/40/17/76/855401776.db2.gz MWUZPVGEXLQDJT-IXDOHACOSA-N 2 2 350.463 0.764 20 0 FCADLP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@@H](C)C[NH+]1CCOCC1 ZINC001218213857 855407101 /nfs/dbraw/zinc/40/71/01/855407101.db2.gz LEIXBHGKMDNVMQ-JTQLQIEISA-N 2 2 354.407 0.262 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@H]21)[NH+](C)C ZINC001218644911 855457534 /nfs/dbraw/zinc/45/75/34/855457534.db2.gz ALPAUNALKGKPGZ-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@H]21)[NH+](C)C ZINC001218644911 855457540 /nfs/dbraw/zinc/45/75/40/855457540.db2.gz ALPAUNALKGKPGZ-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP COC(=O)c1cc(Br)cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218733959 855472250 /nfs/dbraw/zinc/47/22/50/855472250.db2.gz OWVMBYGXSVFNSF-UHFFFAOYSA-N 2 2 371.235 0.911 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001218797128 855480340 /nfs/dbraw/zinc/48/03/40/855480340.db2.gz CYLGDRJMBIUTGZ-JPQMIFPKSA-N 2 2 365.459 0.873 20 0 FCADLP C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2)C[C@H](C)O1 ZINC001218822955 855483237 /nfs/dbraw/zinc/48/32/37/855483237.db2.gz RDBRQNLIAYANMV-HUBLWGQQSA-N 2 2 370.475 0.099 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1C(N)=O ZINC001218842643 855484897 /nfs/dbraw/zinc/48/48/97/855484897.db2.gz AXSZWCSJBMPDEN-NSHDSACASA-N 2 2 366.219 0.790 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918062 855496001 /nfs/dbraw/zinc/49/60/01/855496001.db2.gz AUFLHRAYQWGPDX-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918062 855496006 /nfs/dbraw/zinc/49/60/06/855496006.db2.gz AUFLHRAYQWGPDX-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918062 855496009 /nfs/dbraw/zinc/49/60/09/855496009.db2.gz AUFLHRAYQWGPDX-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918062 855496012 /nfs/dbraw/zinc/49/60/12/855496012.db2.gz AUFLHRAYQWGPDX-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CN(C)C(=O)c1cc(Br)ccc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001219278463 855614747 /nfs/dbraw/zinc/61/47/47/855614747.db2.gz PBSTUZKWWSEESQ-CABZTGNLSA-N 2 2 355.236 0.779 20 0 FCADLP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219460210 855678864 /nfs/dbraw/zinc/67/88/64/855678864.db2.gz QCWMNMJAONBIQZ-LSDHHAIUSA-N 2 2 354.401 0.905 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219826406 855833804 /nfs/dbraw/zinc/83/38/04/855833804.db2.gz VKTAMPSGYCGVKB-OIISXLGYSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219826406 855833808 /nfs/dbraw/zinc/83/38/08/855833808.db2.gz VKTAMPSGYCGVKB-OIISXLGYSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219826406 855833816 /nfs/dbraw/zinc/83/38/16/855833816.db2.gz VKTAMPSGYCGVKB-OIISXLGYSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219826406 855833823 /nfs/dbraw/zinc/83/38/23/855833823.db2.gz VKTAMPSGYCGVKB-OIISXLGYSA-N 2 2 350.463 0.827 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830345 855836178 /nfs/dbraw/zinc/83/61/78/855836178.db2.gz WCOUDLWRCKPWIP-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830345 855836182 /nfs/dbraw/zinc/83/61/82/855836182.db2.gz WCOUDLWRCKPWIP-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830345 855836186 /nfs/dbraw/zinc/83/61/86/855836186.db2.gz WCOUDLWRCKPWIP-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830345 855836187 /nfs/dbraw/zinc/83/61/87/855836187.db2.gz WCOUDLWRCKPWIP-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219842744 855842579 /nfs/dbraw/zinc/84/25/79/855842579.db2.gz WMMCDJXEHFTXJC-VYDXJSESSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219842744 855842586 /nfs/dbraw/zinc/84/25/86/855842586.db2.gz WMMCDJXEHFTXJC-VYDXJSESSA-N 2 2 350.463 0.338 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)[NH+](C)C ZINC001219875891 855856925 /nfs/dbraw/zinc/85/69/25/855856925.db2.gz JFPLUXRELPWKGG-ZACQAIPSSA-N 2 2 353.438 0.320 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)[NH+](C)C ZINC001219875891 855856930 /nfs/dbraw/zinc/85/69/30/855856930.db2.gz JFPLUXRELPWKGG-ZACQAIPSSA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894160 855866419 /nfs/dbraw/zinc/86/64/19/855866419.db2.gz XBIXPCWULZYKQT-OIISXLGYSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894160 855866430 /nfs/dbraw/zinc/86/64/30/855866430.db2.gz XBIXPCWULZYKQT-OIISXLGYSA-N 2 2 350.463 0.279 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893659 855866760 /nfs/dbraw/zinc/86/67/60/855866760.db2.gz JJRXNSSIYRBJQB-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893659 855866767 /nfs/dbraw/zinc/86/67/67/855866767.db2.gz JJRXNSSIYRBJQB-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893658 855867113 /nfs/dbraw/zinc/86/71/13/855867113.db2.gz JJRXNSSIYRBJQB-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893658 855867117 /nfs/dbraw/zinc/86/71/17/855867117.db2.gz JJRXNSSIYRBJQB-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001219906208 855874878 /nfs/dbraw/zinc/87/48/78/855874878.db2.gz GIWSULSARAUGGN-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001219906208 855874880 /nfs/dbraw/zinc/87/48/80/855874880.db2.gz GIWSULSARAUGGN-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001219906208 855874883 /nfs/dbraw/zinc/87/48/83/855874883.db2.gz GIWSULSARAUGGN-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001219906208 855874886 /nfs/dbraw/zinc/87/48/86/855874886.db2.gz GIWSULSARAUGGN-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908436 855875829 /nfs/dbraw/zinc/87/58/29/855875829.db2.gz GFBHFXXMUGODGN-XHSDSOJGSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908436 855875835 /nfs/dbraw/zinc/87/58/35/855875835.db2.gz GFBHFXXMUGODGN-XHSDSOJGSA-N 2 2 350.463 0.424 20 0 FCADLP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC1C[NH+](C)C1 ZINC001220013525 855917883 /nfs/dbraw/zinc/91/78/83/855917883.db2.gz ZQWAVFLVJPJXLO-HOTGVXAUSA-N 2 2 364.515 0.225 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119478 855970866 /nfs/dbraw/zinc/97/08/66/855970866.db2.gz OIIXOWCTVZVFQU-UPJWGTAASA-N 2 2 367.412 0.335 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119478 855970872 /nfs/dbraw/zinc/97/08/72/855970872.db2.gz OIIXOWCTVZVFQU-UPJWGTAASA-N 2 2 367.412 0.335 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357748 856082021 /nfs/dbraw/zinc/08/20/21/856082021.db2.gz QEADZKAAYHHJTP-CVEARBPZSA-N 2 2 352.435 0.082 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357748 856082027 /nfs/dbraw/zinc/08/20/27/856082027.db2.gz QEADZKAAYHHJTP-CVEARBPZSA-N 2 2 352.435 0.082 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375852 856094303 /nfs/dbraw/zinc/09/43/03/856094303.db2.gz HLHRGSHTNABPKJ-PMPSAXMXSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375852 856094308 /nfs/dbraw/zinc/09/43/08/856094308.db2.gz HLHRGSHTNABPKJ-PMPSAXMXSA-N 2 2 356.511 0.137 20 0 FCADLP NC(=[NH2+])N(C(=O)c1cnc(C[NH3+])s1)c1ccc(N2CCOCC2)cc1 ZINC001220460222 856137832 /nfs/dbraw/zinc/13/78/32/856137832.db2.gz FGLALEOVYDDJRT-UHFFFAOYSA-N 2 2 360.443 0.979 20 0 FCADLP N=C(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccc(Br)cc1F ZINC001220510783 856160900 /nfs/dbraw/zinc/16/09/00/856160900.db2.gz LAGBITRZDHHYTL-CQFDHEJISA-N 2 2 355.211 0.980 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnn2C)C[C@@H]1O ZINC001220565723 856187132 /nfs/dbraw/zinc/18/71/32/856187132.db2.gz ZIPRTXVXIZSUQN-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnn2C)C[C@@H]1O ZINC001220565723 856187138 /nfs/dbraw/zinc/18/71/38/856187138.db2.gz ZIPRTXVXIZSUQN-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220565723 856187141 /nfs/dbraw/zinc/18/71/41/856187141.db2.gz ZIPRTXVXIZSUQN-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220565723 856187144 /nfs/dbraw/zinc/18/71/44/856187144.db2.gz ZIPRTXVXIZSUQN-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568260 856189155 /nfs/dbraw/zinc/18/91/55/856189155.db2.gz DFJBAPIYACIHNK-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568260 856189158 /nfs/dbraw/zinc/18/91/58/856189158.db2.gz DFJBAPIYACIHNK-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568260 856189161 /nfs/dbraw/zinc/18/91/61/856189161.db2.gz DFJBAPIYACIHNK-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220568260 856189163 /nfs/dbraw/zinc/18/91/63/856189163.db2.gz DFJBAPIYACIHNK-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220740725 856273751 /nfs/dbraw/zinc/27/37/51/856273751.db2.gz PGHJFLBORJDWNG-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001220740725 856273757 /nfs/dbraw/zinc/27/37/57/856273757.db2.gz PGHJFLBORJDWNG-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001220768770 856290723 /nfs/dbraw/zinc/29/07/23/856290723.db2.gz AWLRTTXPKFFSQE-WOPDTQHZSA-N 2 2 362.352 0.551 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807287 856310539 /nfs/dbraw/zinc/31/05/39/856310539.db2.gz UCMPXYOJBJYCIB-CABCVRRESA-N 2 2 356.511 0.184 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807287 856310544 /nfs/dbraw/zinc/31/05/44/856310544.db2.gz UCMPXYOJBJYCIB-CABCVRRESA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220828574 856327569 /nfs/dbraw/zinc/32/75/69/856327569.db2.gz AQMCHYSUNWEQNF-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220828574 856327579 /nfs/dbraw/zinc/32/75/79/856327579.db2.gz AQMCHYSUNWEQNF-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220828574 856327590 /nfs/dbraw/zinc/32/75/90/856327590.db2.gz AQMCHYSUNWEQNF-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220828574 856327602 /nfs/dbraw/zinc/32/76/02/856327602.db2.gz AQMCHYSUNWEQNF-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001220985886 856407904 /nfs/dbraw/zinc/40/79/04/856407904.db2.gz IURHXKDDRLGDIU-IMJJTQAJSA-N 2 2 353.488 0.378 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001220985886 856407905 /nfs/dbraw/zinc/40/79/05/856407905.db2.gz IURHXKDDRLGDIU-IMJJTQAJSA-N 2 2 353.488 0.378 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994415 856413506 /nfs/dbraw/zinc/41/35/06/856413506.db2.gz PZJGDQAQXBZOIF-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994415 856413512 /nfs/dbraw/zinc/41/35/12/856413512.db2.gz PZJGDQAQXBZOIF-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020459 856429001 /nfs/dbraw/zinc/42/90/01/856429001.db2.gz VIYUEGCUJLPYNC-HZSPNIEDSA-N 2 2 367.412 0.601 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020459 856429005 /nfs/dbraw/zinc/42/90/05/856429005.db2.gz VIYUEGCUJLPYNC-HZSPNIEDSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020459 856429007 /nfs/dbraw/zinc/42/90/07/856429007.db2.gz VIYUEGCUJLPYNC-HZSPNIEDSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020459 856429010 /nfs/dbraw/zinc/42/90/10/856429010.db2.gz VIYUEGCUJLPYNC-HZSPNIEDSA-N 2 2 367.412 0.601 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001221081457 856452386 /nfs/dbraw/zinc/45/23/86/856452386.db2.gz MXKCPFKAPNPMEX-CVEARBPZSA-N 2 2 369.897 0.574 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001221081457 856452391 /nfs/dbraw/zinc/45/23/91/856452391.db2.gz MXKCPFKAPNPMEX-CVEARBPZSA-N 2 2 369.897 0.574 20 0 FCADLP CC1(C)CO[C@H](C[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001221161252 856491262 /nfs/dbraw/zinc/49/12/62/856491262.db2.gz CRFOVVJAGFHMRO-XHSDSOJGSA-N 2 2 350.463 0.640 20 0 FCADLP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001221161252 856491267 /nfs/dbraw/zinc/49/12/67/856491267.db2.gz CRFOVVJAGFHMRO-XHSDSOJGSA-N 2 2 350.463 0.640 20 0 FCADLP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H]([NH3+])CCC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221260138 856532483 /nfs/dbraw/zinc/53/24/83/856532483.db2.gz IUSKYGPGYFWNBD-PELKAZGASA-N 3 2 364.418 0.343 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc(F)c1O ZINC001279283120 862809904 /nfs/dbraw/zinc/80/99/04/862809904.db2.gz AQLMOMGBSZQWAS-WBVHZDCISA-N 2 2 353.438 0.987 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc(F)c1O ZINC001279283120 862809919 /nfs/dbraw/zinc/80/99/19/862809919.db2.gz AQLMOMGBSZQWAS-WBVHZDCISA-N 2 2 353.438 0.987 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221587801 856614785 /nfs/dbraw/zinc/61/47/85/856614785.db2.gz ITTJOAMMHANNON-FVQBIDKESA-N 2 2 354.470 0.478 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221587801 856614791 /nfs/dbraw/zinc/61/47/91/856614791.db2.gz ITTJOAMMHANNON-FVQBIDKESA-N 2 2 354.470 0.478 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221616584 856625602 /nfs/dbraw/zinc/62/56/02/856625602.db2.gz QPTPMBFIGVIURU-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221616584 856625605 /nfs/dbraw/zinc/62/56/05/856625605.db2.gz QPTPMBFIGVIURU-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771745 856676972 /nfs/dbraw/zinc/67/69/72/856676972.db2.gz FYHDSFVBUDLTKI-HZPDHXFCSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771745 856676977 /nfs/dbraw/zinc/67/69/77/856676977.db2.gz FYHDSFVBUDLTKI-HZPDHXFCSA-N 2 2 350.507 0.633 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001221816345 856696886 /nfs/dbraw/zinc/69/68/86/856696886.db2.gz SYWUBTBSYRSTIX-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001221816345 856696891 /nfs/dbraw/zinc/69/68/91/856696891.db2.gz SYWUBTBSYRSTIX-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945143 856742785 /nfs/dbraw/zinc/74/27/85/856742785.db2.gz GMKDKNPPJWECBH-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221945143 856742789 /nfs/dbraw/zinc/74/27/89/856742789.db2.gz GMKDKNPPJWECBH-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034891 856780252 /nfs/dbraw/zinc/78/02/52/856780252.db2.gz NHKVJSKKXRAMOE-RBSFLKMASA-N 2 2 361.433 0.522 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034891 856780254 /nfs/dbraw/zinc/78/02/54/856780254.db2.gz NHKVJSKKXRAMOE-RBSFLKMASA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034891 856780257 /nfs/dbraw/zinc/78/02/57/856780257.db2.gz NHKVJSKKXRAMOE-RBSFLKMASA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034891 856780260 /nfs/dbraw/zinc/78/02/60/856780260.db2.gz NHKVJSKKXRAMOE-RBSFLKMASA-N 2 2 361.433 0.522 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046611 856784322 /nfs/dbraw/zinc/78/43/22/856784322.db2.gz MKBIKTJLMHIXCC-IAGOWNOFSA-N 2 2 371.547 0.830 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046611 856784330 /nfs/dbraw/zinc/78/43/30/856784330.db2.gz MKBIKTJLMHIXCC-IAGOWNOFSA-N 2 2 371.547 0.830 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053441 856787540 /nfs/dbraw/zinc/78/75/40/856787540.db2.gz QQUWQPJCSAFDJT-ARFHVFGLSA-N 2 2 357.520 0.294 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053441 856787545 /nfs/dbraw/zinc/78/75/45/856787545.db2.gz QQUWQPJCSAFDJT-ARFHVFGLSA-N 2 2 357.520 0.294 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053441 856787552 /nfs/dbraw/zinc/78/75/52/856787552.db2.gz QQUWQPJCSAFDJT-ARFHVFGLSA-N 2 2 357.520 0.294 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053441 856787557 /nfs/dbraw/zinc/78/75/57/856787557.db2.gz QQUWQPJCSAFDJT-ARFHVFGLSA-N 2 2 357.520 0.294 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976264 856886981 /nfs/dbraw/zinc/88/69/81/856886981.db2.gz IOYHVMIFHPXMOJ-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976264 856886987 /nfs/dbraw/zinc/88/69/87/856886987.db2.gz IOYHVMIFHPXMOJ-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976264 856886993 /nfs/dbraw/zinc/88/69/93/856886993.db2.gz IOYHVMIFHPXMOJ-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976264 856886999 /nfs/dbraw/zinc/88/69/99/856886999.db2.gz IOYHVMIFHPXMOJ-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)co1 ZINC001223916307 856950736 /nfs/dbraw/zinc/95/07/36/856950736.db2.gz FKPNEPMGDVRXRQ-WBVHZDCISA-N 2 2 350.463 0.984 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)co1 ZINC001223916307 856950746 /nfs/dbraw/zinc/95/07/46/856950746.db2.gz FKPNEPMGDVRXRQ-WBVHZDCISA-N 2 2 350.463 0.984 20 0 FCADLP Cc1nonc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916310 856951068 /nfs/dbraw/zinc/95/10/68/856951068.db2.gz FWAPPVZZCFNEJY-ZBFHGGJFSA-N 2 2 351.451 0.379 20 0 FCADLP Cc1nonc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916310 856951072 /nfs/dbraw/zinc/95/10/72/856951072.db2.gz FWAPPVZZCFNEJY-ZBFHGGJFSA-N 2 2 351.451 0.379 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001227840105 857179590 /nfs/dbraw/zinc/17/95/90/857179590.db2.gz YTWIABQUNVFUPD-ARFHVFGLSA-N 2 2 368.503 0.725 20 0 FCADLP CCCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953430 857186160 /nfs/dbraw/zinc/18/61/60/857186160.db2.gz GXHOBXPVPVFJNZ-GDBMZVCRSA-N 2 2 354.495 0.202 20 0 FCADLP CCCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953430 857186165 /nfs/dbraw/zinc/18/61/65/857186165.db2.gz GXHOBXPVPVFJNZ-GDBMZVCRSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954156 857186476 /nfs/dbraw/zinc/18/64/76/857186476.db2.gz PDEKQQAXXOVPDM-IIAWOOMASA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954156 857186470 /nfs/dbraw/zinc/18/64/70/857186470.db2.gz PDEKQQAXXOVPDM-IIAWOOMASA-N 2 2 354.495 0.201 20 0 FCADLP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001228799937 857230184 /nfs/dbraw/zinc/23/01/84/857230184.db2.gz BRGIDDAVJGPTLU-HUUCEWRRSA-N 2 2 368.503 0.794 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001229232009 857260255 /nfs/dbraw/zinc/26/02/55/857260255.db2.gz WGTYLFPCEOOVOM-ZIAGYGMSSA-N 2 2 352.483 0.994 20 0 FCADLP CON1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001230204964 857313997 /nfs/dbraw/zinc/31/39/97/857313997.db2.gz ISZPRQAQHLCUKZ-QGZVFWFLSA-N 2 2 353.511 0.822 20 0 FCADLP CON1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001230204964 857313999 /nfs/dbraw/zinc/31/39/99/857313999.db2.gz ISZPRQAQHLCUKZ-QGZVFWFLSA-N 2 2 353.511 0.822 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348228 857328262 /nfs/dbraw/zinc/32/82/62/857328262.db2.gz XNUMHWUCISCJAN-HZPDHXFCSA-N 2 2 351.451 0.053 20 0 FCADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231770757 857366420 /nfs/dbraw/zinc/36/64/20/857366420.db2.gz UIINNFASRYYOOJ-INIZCTEOSA-N 2 2 350.463 0.159 20 0 FCADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231770757 857366427 /nfs/dbraw/zinc/36/64/27/857366427.db2.gz UIINNFASRYYOOJ-INIZCTEOSA-N 2 2 350.463 0.159 20 0 FCADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(C[C@@H](C)[NH3+])CC3)C2=O)cs1 ZINC001235550659 857427729 /nfs/dbraw/zinc/42/77/29/857427729.db2.gz BMVYMVDUGVTDCE-CYBMUJFWSA-N 2 2 351.520 0.907 20 0 FCADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(C[C@@H](C)[NH3+])CC3)C2=O)cs1 ZINC001235550659 857427734 /nfs/dbraw/zinc/42/77/34/857427734.db2.gz BMVYMVDUGVTDCE-CYBMUJFWSA-N 2 2 351.520 0.907 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(Br)c(Cl)s1 ZINC001238839528 857483978 /nfs/dbraw/zinc/48/39/78/857483978.db2.gz SWIIZNPGBJJSLJ-UHFFFAOYSA-N 2 2 362.702 0.991 20 0 FCADLP COC(=O)c1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)C2CC[NH2+]CC2)c1 ZINC001239180968 857523723 /nfs/dbraw/zinc/52/37/23/857523723.db2.gz KOQCHVFHULDIEV-MRXNPFEDSA-N 2 2 367.471 0.501 20 0 FCADLP O=C(NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001239439464 857529167 /nfs/dbraw/zinc/52/91/67/857529167.db2.gz QMZRPSROLZIYFJ-UHFFFAOYSA-N 2 2 369.922 0.439 20 0 FCADLP CCOC(=O)C1=C(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C[NH2+]C1 ZINC001246354213 857574858 /nfs/dbraw/zinc/57/48/58/857574858.db2.gz YZHPUALOJNPROP-UHFFFAOYSA-N 2 2 353.463 0.803 20 0 FCADLP C[C@H]1C[C@@H]([N@@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703383 857592146 /nfs/dbraw/zinc/59/21/46/857592146.db2.gz IVKUICUWTHSHJQ-YTGMWSOZSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@H]1C[C@@H]([N@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703383 857592156 /nfs/dbraw/zinc/59/21/56/857592156.db2.gz IVKUICUWTHSHJQ-YTGMWSOZSA-N 2 2 351.491 0.998 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740859 857596179 /nfs/dbraw/zinc/59/61/79/857596179.db2.gz HXRJRSUQPCJFIY-ZQDZILKHSA-N 2 2 350.488 0.943 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740859 857596185 /nfs/dbraw/zinc/59/61/85/857596185.db2.gz HXRJRSUQPCJFIY-ZQDZILKHSA-N 2 2 350.488 0.943 20 0 FCADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746382 857597227 /nfs/dbraw/zinc/59/72/27/857597227.db2.gz JYBZJUIQTASSFM-MTNOOBJLSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746382 857597231 /nfs/dbraw/zinc/59/72/31/857597231.db2.gz JYBZJUIQTASSFM-MTNOOBJLSA-N 2 2 351.491 0.999 20 0 FCADLP CC(C)C(=O)N1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001246758991 857598964 /nfs/dbraw/zinc/59/89/64/857598964.db2.gz ISOWYHHXSWPPRW-GPMSIDNRSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)C(=O)N1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001246758991 857598970 /nfs/dbraw/zinc/59/89/70/857598970.db2.gz ISOWYHHXSWPPRW-GPMSIDNRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774358 857600002 /nfs/dbraw/zinc/60/00/02/857600002.db2.gz NBHWEUKXTHLPMR-DFEOGRTESA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774358 857600006 /nfs/dbraw/zinc/60/00/06/857600006.db2.gz NBHWEUKXTHLPMR-DFEOGRTESA-N 2 2 351.491 0.857 20 0 FCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2nccc(I)c2F)no1 ZINC001249128097 857641744 /nfs/dbraw/zinc/64/17/44/857641744.db2.gz HFRNIEILOPZTDW-RXMQYKEDSA-N 2 2 363.134 0.704 20 0 FCADLP CS(=O)(=O)c1ccc(-c2noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n2)cc1 ZINC001248635164 857634483 /nfs/dbraw/zinc/63/44/83/857634483.db2.gz LGYPMVBZNBQUDN-NSHDSACASA-N 2 2 352.420 0.403 20 0 FCADLP Cc1c[nH+]c2n1CCN(C)C21CCN(C(=S)NCC[NH+](C)C)CC1 ZINC001249832439 857649676 /nfs/dbraw/zinc/64/96/76/857649676.db2.gz HTXQTEJMHGDBDH-UHFFFAOYSA-N 2 2 350.536 0.864 20 0 FCADLP C[NH+](C)Cc1nc(CSCC[NH2+]C[C@@H](O)CN2CCOCC2)cs1 ZINC001251036354 857688496 /nfs/dbraw/zinc/68/84/96/857688496.db2.gz GWLWSBUZGQBIPE-OAHLLOKOSA-N 2 2 374.576 0.721 20 0 FCADLP C[NH+]1CCN(C2C[NH+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001251414511 857722004 /nfs/dbraw/zinc/72/20/04/857722004.db2.gz LXDQWTANPVHBPR-SFHVURJKSA-N 2 2 354.495 0.290 20 0 FCADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252417826 857801675 /nfs/dbraw/zinc/80/16/75/857801675.db2.gz NHXDDRDPAAYWQY-LTIDMASMSA-N 2 2 350.463 0.590 20 0 FCADLP COC(=O)[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252417826 857801687 /nfs/dbraw/zinc/80/16/87/857801687.db2.gz NHXDDRDPAAYWQY-LTIDMASMSA-N 2 2 350.463 0.590 20 0 FCADLP COC(=O)[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001252417826 857801694 /nfs/dbraw/zinc/80/16/94/857801694.db2.gz NHXDDRDPAAYWQY-LTIDMASMSA-N 2 2 350.463 0.590 20 0 FCADLP COC(=O)[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001252417826 857801698 /nfs/dbraw/zinc/80/16/98/857801698.db2.gz NHXDDRDPAAYWQY-LTIDMASMSA-N 2 2 350.463 0.590 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001253185102 857870312 /nfs/dbraw/zinc/87/03/12/857870312.db2.gz CDIMSRFJFCZHSG-QGZVFWFLSA-N 2 2 353.507 0.793 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001253796992 857914977 /nfs/dbraw/zinc/91/49/77/857914977.db2.gz QOAFZVIFAPFOFT-ZACQAIPSSA-N 2 2 350.463 0.488 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001253796992 857914988 /nfs/dbraw/zinc/91/49/88/857914988.db2.gz QOAFZVIFAPFOFT-ZACQAIPSSA-N 2 2 350.463 0.488 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001253796992 857914998 /nfs/dbraw/zinc/91/49/98/857914998.db2.gz QOAFZVIFAPFOFT-ZACQAIPSSA-N 2 2 350.463 0.488 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001253796992 857915009 /nfs/dbraw/zinc/91/50/09/857915009.db2.gz QOAFZVIFAPFOFT-ZACQAIPSSA-N 2 2 350.463 0.488 20 0 FCADLP CCOC(=O)CCC(CCC(=O)OCC)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001255994555 858045587 /nfs/dbraw/zinc/04/55/87/858045587.db2.gz YXCFRPLHOXGHBR-UHFFFAOYSA-N 2 2 356.467 0.813 20 0 FCADLP C[NH+]1CCC([NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)CC1 ZINC001256207787 858057198 /nfs/dbraw/zinc/05/71/98/858057198.db2.gz QLMCDJDOKJEEHU-MRXNPFEDSA-N 2 2 351.491 0.811 20 0 FCADLP CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256695381 858096591 /nfs/dbraw/zinc/09/65/91/858096591.db2.gz YMNPHSJFXMPMCU-UYSNPLJNSA-N 2 2 353.463 0.383 20 0 FCADLP CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256695381 858096594 /nfs/dbraw/zinc/09/65/94/858096594.db2.gz YMNPHSJFXMPMCU-UYSNPLJNSA-N 2 2 353.463 0.383 20 0 FCADLP CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(F)n1 ZINC001279701530 863017449 /nfs/dbraw/zinc/01/74/49/863017449.db2.gz GEECSVNCIVCCNX-CVEARBPZSA-N 2 2 351.470 0.733 20 0 FCADLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(F)n1 ZINC001279701530 863017456 /nfs/dbraw/zinc/01/74/56/863017456.db2.gz GEECSVNCIVCCNX-CVEARBPZSA-N 2 2 351.470 0.733 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC001262013848 858757276 /nfs/dbraw/zinc/75/72/76/858757276.db2.gz OOPGJLDBUBAXJX-UHFFFAOYSA-N 2 2 369.491 0.129 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(F)C1=O ZINC001270334721 859719966 /nfs/dbraw/zinc/71/99/66/859719966.db2.gz MMWSUQWNJKQCNW-HZPDHXFCSA-N 2 2 355.389 0.005 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868385 860286442 /nfs/dbraw/zinc/28/64/42/860286442.db2.gz RJHXKYODHCTRGL-LJQANCHMSA-N 2 2 351.539 0.110 20 0 FCADLP CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868385 860286451 /nfs/dbraw/zinc/28/64/51/860286451.db2.gz RJHXKYODHCTRGL-LJQANCHMSA-N 2 2 351.539 0.110 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001273209249 860409532 /nfs/dbraw/zinc/40/95/32/860409532.db2.gz BLZDEAAUNMWXKG-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001273209249 860409538 /nfs/dbraw/zinc/40/95/38/860409538.db2.gz BLZDEAAUNMWXKG-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001273209249 860409541 /nfs/dbraw/zinc/40/95/41/860409541.db2.gz BLZDEAAUNMWXKG-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001273209249 860409549 /nfs/dbraw/zinc/40/95/49/860409549.db2.gz BLZDEAAUNMWXKG-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP COC(C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1)OC ZINC001275492869 861110174 /nfs/dbraw/zinc/11/01/74/861110174.db2.gz AMBPLSDAVXCVLT-KRWDZBQOSA-N 2 2 352.435 0.090 20 0 FCADLP COC(C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1)OC ZINC001275492869 861110185 /nfs/dbraw/zinc/11/01/85/861110185.db2.gz AMBPLSDAVXCVLT-KRWDZBQOSA-N 2 2 352.435 0.090 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=S)NCC[NH+](C)C)[C@@H]2C1 ZINC001279975996 863161703 /nfs/dbraw/zinc/16/17/03/863161703.db2.gz WDSUDJSLHTVICK-LSDHHAIUSA-N 2 2 350.536 0.845 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=S)NCC[NH+](C)C)[C@@H]2C1 ZINC001279975996 863161706 /nfs/dbraw/zinc/16/17/06/863161706.db2.gz WDSUDJSLHTVICK-LSDHHAIUSA-N 2 2 350.536 0.845 20 0 FCADLP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001280045759 863214886 /nfs/dbraw/zinc/21/48/86/863214886.db2.gz NPQRZKDSWFUIIA-HOTGVXAUSA-N 2 2 350.463 1.000 20 0 FCADLP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001280045759 863214899 /nfs/dbraw/zinc/21/48/99/863214899.db2.gz NPQRZKDSWFUIIA-HOTGVXAUSA-N 2 2 350.463 1.000 20 0 FCADLP COC(C)(C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280056059 863228263 /nfs/dbraw/zinc/22/82/63/863228263.db2.gz GGQXSOVNELJQPH-BBWFWOEESA-N 2 2 351.491 0.807 20 0 FCADLP COC(C)(C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280056059 863228277 /nfs/dbraw/zinc/22/82/77/863228277.db2.gz GGQXSOVNELJQPH-BBWFWOEESA-N 2 2 351.491 0.807 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C[NH+](C[C@@H]4CCCCO4)C3)O2)CC1 ZINC001280206375 863336612 /nfs/dbraw/zinc/33/66/12/863336612.db2.gz YHOJKDDDUBPWCW-IRXDYDNUSA-N 2 2 351.491 0.999 20 0 FCADLP COCCOC[NH+]1CC2(C1)CC[NH+](CCCN1CC[NH+](C)CC1)CC2 ZINC001280246421 863357893 /nfs/dbraw/zinc/35/78/93/863357893.db2.gz YBOFLNISRKNDEA-UHFFFAOYSA-N 3 2 354.539 0.642 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001304089621 866498966 /nfs/dbraw/zinc/49/89/66/866498966.db2.gz DMBMNDOYYPPCNS-HUUCEWRRSA-N 2 2 366.487 0.828 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001304089621 866498976 /nfs/dbraw/zinc/49/89/76/866498976.db2.gz DMBMNDOYYPPCNS-HUUCEWRRSA-N 2 2 366.487 0.828 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)CN(C)CC(F)(F)F)CC1 ZINC001307774889 866674174 /nfs/dbraw/zinc/67/41/74/866674174.db2.gz UPETVLATIKWBMX-AWEZNQCLSA-N 2 2 355.445 0.914 20 0 FCADLP Cc1nn2c(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)c(C)nc2s1 ZINC001308262664 866710948 /nfs/dbraw/zinc/71/09/48/866710948.db2.gz ZOXKKSSVZHWCSX-HNNXBMFYSA-N 2 2 364.519 0.904 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351213626 866814459 /nfs/dbraw/zinc/81/44/59/866814459.db2.gz UFWJWNICCRAJCN-UAGQMJEPSA-N 2 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001351213626 866814476 /nfs/dbraw/zinc/81/44/76/866814476.db2.gz UFWJWNICCRAJCN-UAGQMJEPSA-N 2 2 353.511 0.173 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001312386482 867160835 /nfs/dbraw/zinc/16/08/35/867160835.db2.gz DVDSOAIWBSXZQV-HNNXBMFYSA-N 2 2 354.495 0.949 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001312386482 867160841 /nfs/dbraw/zinc/16/08/41/867160841.db2.gz DVDSOAIWBSXZQV-HNNXBMFYSA-N 2 2 354.495 0.949 20 0 FCADLP C[N@H+](CCNS(C)(=O)=O)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001352839863 867271727 /nfs/dbraw/zinc/27/17/27/867271727.db2.gz TUUKYMVVNFONFG-UHFFFAOYSA-N 2 2 371.503 0.379 20 0 FCADLP C[N@@H+](CCNS(C)(=O)=O)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001352839863 867271743 /nfs/dbraw/zinc/27/17/43/867271743.db2.gz TUUKYMVVNFONFG-UHFFFAOYSA-N 2 2 371.503 0.379 20 0 FCADLP COc1nc(Cl)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1C ZINC001353034052 867327926 /nfs/dbraw/zinc/32/79/26/867327926.db2.gz GEBSEGDTERKRMB-CQSZACIVSA-N 2 2 371.913 0.968 20 0 FCADLP CC(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001318857298 867765870 /nfs/dbraw/zinc/76/58/70/867765870.db2.gz LSPSUJULEAPFDW-INIZCTEOSA-N 2 2 351.495 0.465 20 0 FCADLP CC(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001318857298 867765882 /nfs/dbraw/zinc/76/58/82/867765882.db2.gz LSPSUJULEAPFDW-INIZCTEOSA-N 2 2 351.495 0.465 20 0 FCADLP CC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001318857299 867766499 /nfs/dbraw/zinc/76/64/99/867766499.db2.gz LSPSUJULEAPFDW-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP CC(=O)NC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001318857299 867766502 /nfs/dbraw/zinc/76/65/02/867766502.db2.gz LSPSUJULEAPFDW-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP CNc1nnc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC001320279916 868129913 /nfs/dbraw/zinc/12/99/13/868129913.db2.gz WBARVJPWVNIACV-UHFFFAOYSA-N 2 2 352.508 0.797 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001321683186 868570481 /nfs/dbraw/zinc/57/04/81/868570481.db2.gz XZAUHJWLZJYJHW-JKSUJKDBSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001321683186 868570491 /nfs/dbraw/zinc/57/04/91/868570491.db2.gz XZAUHJWLZJYJHW-JKSUJKDBSA-N 2 2 372.535 0.421 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC(F)(F)F)C2)CC1 ZINC001322031173 868715056 /nfs/dbraw/zinc/71/50/56/868715056.db2.gz SXPNWOBBCDHAFN-LLVKDONJSA-N 2 2 350.385 0.340 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC(F)(F)F)C2)CC1 ZINC001322031173 868715062 /nfs/dbraw/zinc/71/50/62/868715062.db2.gz SXPNWOBBCDHAFN-LLVKDONJSA-N 2 2 350.385 0.340 20 0 FCADLP COc1nc(Cl)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1C ZINC001326199461 870206460 /nfs/dbraw/zinc/20/64/60/870206460.db2.gz KDHKEPCOTZFVQZ-LBPRGKRZSA-N 2 2 355.870 0.726 20 0 FCADLP COc1nc(Cl)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1C ZINC001326199461 870206468 /nfs/dbraw/zinc/20/64/68/870206468.db2.gz KDHKEPCOTZFVQZ-LBPRGKRZSA-N 2 2 355.870 0.726 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001326401765 870297385 /nfs/dbraw/zinc/29/73/85/870297385.db2.gz OEWXCKGKPWPUMW-BBRMVZONSA-N 2 2 368.547 0.671 20 0 FCADLP CCC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001327816472 871095432 /nfs/dbraw/zinc/09/54/32/871095432.db2.gz TVJMVFMOCFBXAW-HNNXBMFYSA-N 2 2 360.524 0.118 20 0 FCADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001327958787 871156902 /nfs/dbraw/zinc/15/69/02/871156902.db2.gz ZOZHVBAJTCJRRC-WMZOPIPTSA-N 2 2 368.499 0.966 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001328330617 871365362 /nfs/dbraw/zinc/36/53/62/871365362.db2.gz WMHOKALNXSMUBR-LBPRGKRZSA-N 2 2 364.431 0.430 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001328490203 871459424 /nfs/dbraw/zinc/45/94/24/871459424.db2.gz LBNDEFMWLGOFMP-QWHCGFSZSA-N 3 2 350.467 0.344 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001328490203 871459432 /nfs/dbraw/zinc/45/94/32/871459432.db2.gz LBNDEFMWLGOFMP-QWHCGFSZSA-N 3 2 350.467 0.344 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001346016375 871604370 /nfs/dbraw/zinc/60/43/70/871604370.db2.gz BKTJQORQRHYMEP-JKSUJKDBSA-N 2 2 371.547 0.876 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001346016375 871604371 /nfs/dbraw/zinc/60/43/71/871604371.db2.gz BKTJQORQRHYMEP-JKSUJKDBSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346308046 871766071 /nfs/dbraw/zinc/76/60/71/871766071.db2.gz SWBMQTLCWUQRKJ-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346308046 871766075 /nfs/dbraw/zinc/76/60/75/871766075.db2.gz SWBMQTLCWUQRKJ-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP O=S(=O)(C1CC1)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001346507508 871873941 /nfs/dbraw/zinc/87/39/41/871873941.db2.gz WKXVBWQBVDHSRZ-MRXNPFEDSA-N 2 2 357.520 0.786 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346779001 871998175 /nfs/dbraw/zinc/99/81/75/871998175.db2.gz RPCNPZQTWDXTEW-ULQDDVLXSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346779001 871998182 /nfs/dbraw/zinc/99/81/82/871998182.db2.gz RPCNPZQTWDXTEW-ULQDDVLXSA-N 2 2 353.511 0.127 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001329562910 872109192 /nfs/dbraw/zinc/10/91/92/872109192.db2.gz YMCARSLEOQIIQA-UHFFFAOYSA-N 2 2 365.499 0.571 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1CN(C)CC[N@@H+]1C ZINC001347186437 872209214 /nfs/dbraw/zinc/20/92/14/872209214.db2.gz NEAKXFPMBNEYFG-GVDBMIGSSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1CN(C)CC[N@H+]1C ZINC001347186437 872209234 /nfs/dbraw/zinc/20/92/34/872209234.db2.gz NEAKXFPMBNEYFG-GVDBMIGSSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001347186690 872211240 /nfs/dbraw/zinc/21/12/40/872211240.db2.gz NIKUXRCSWCFBSS-JKSUJKDBSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001347186690 872211254 /nfs/dbraw/zinc/21/12/54/872211254.db2.gz NIKUXRCSWCFBSS-JKSUJKDBSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001347186690 872211270 /nfs/dbraw/zinc/21/12/70/872211270.db2.gz NIKUXRCSWCFBSS-JKSUJKDBSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001347186690 872211289 /nfs/dbraw/zinc/21/12/89/872211289.db2.gz NIKUXRCSWCFBSS-JKSUJKDBSA-N 2 2 355.527 0.373 20 0 FCADLP O=C(N1CCOCC1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001330794573 872817007 /nfs/dbraw/zinc/81/70/07/872817007.db2.gz QGTFOEBSZBIBHY-UHFFFAOYSA-N 2 2 350.488 0.964 20 0 FCADLP COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001332340840 873464443 /nfs/dbraw/zinc/46/44/43/873464443.db2.gz RGGGZGJXVNYPFV-XHSDSOJGSA-N 2 2 373.519 0.545 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574922990 948927053 /nfs/dbraw/zinc/92/70/53/948927053.db2.gz ASMZXJJTABJOPF-LBPRGKRZSA-N 2 2 355.406 0.489 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574943303 949376523 /nfs/dbraw/zinc/37/65/23/949376523.db2.gz VVPKYHDZSKAIKQ-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574943303 949376544 /nfs/dbraw/zinc/37/65/44/949376544.db2.gz VVPKYHDZSKAIKQ-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574944370 949389899 /nfs/dbraw/zinc/38/98/99/949389899.db2.gz BWIQVCGZUBVMSN-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574944370 949389921 /nfs/dbraw/zinc/38/99/21/949389921.db2.gz BWIQVCGZUBVMSN-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001570957187 949879864 /nfs/dbraw/zinc/87/98/64/949879864.db2.gz GJRKHBWEMHSKMU-ZDUSSCGKSA-N 2 2 352.402 0.523 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001575286487 949984629 /nfs/dbraw/zinc/98/46/29/949984629.db2.gz XDFUSIIACOWIGI-NEPJUHHUSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001575286487 949984650 /nfs/dbraw/zinc/98/46/50/949984650.db2.gz XDFUSIIACOWIGI-NEPJUHHUSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574731270 950048451 /nfs/dbraw/zinc/04/84/51/950048451.db2.gz CKIMQWRMXOXKGY-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574732580 950073139 /nfs/dbraw/zinc/07/31/39/950073139.db2.gz KJXQRCAIXOXLSM-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575904705 950283846 /nfs/dbraw/zinc/28/38/46/950283846.db2.gz AKCAAEDHQBLJQG-YPMHNXCESA-N 2 2 372.458 0.904 20 0 FCADLP CC1(C(=O)NCC[NH+]2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001575593813 950316884 /nfs/dbraw/zinc/31/68/84/950316884.db2.gz ONVJAZWKTHVIMM-UHFFFAOYSA-N 2 2 370.461 0.476 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205576 950529923 /nfs/dbraw/zinc/52/99/23/950529923.db2.gz AVKYTFUBWOKGKM-ZIAGYGMSSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205576 950529931 /nfs/dbraw/zinc/52/99/31/950529931.db2.gz AVKYTFUBWOKGKM-ZIAGYGMSSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206035 950552226 /nfs/dbraw/zinc/55/22/26/950552226.db2.gz SWZOKNGISNVUBS-CQSZACIVSA-N 2 2 372.477 0.580 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981471 950593149 /nfs/dbraw/zinc/59/31/49/950593149.db2.gz MNOLLWCDWAYPKB-IUODEOHRSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981471 950593165 /nfs/dbraw/zinc/59/31/65/950593165.db2.gz MNOLLWCDWAYPKB-IUODEOHRSA-N 2 2 356.434 0.181 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576207787 950598314 /nfs/dbraw/zinc/59/83/14/950598314.db2.gz JKBIKEDJYOHSAA-CYBMUJFWSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575927882 950761096 /nfs/dbraw/zinc/76/10/96/950761096.db2.gz VPKQCCMNZXSHMR-IUODEOHRSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575927882 950761106 /nfs/dbraw/zinc/76/11/06/950761106.db2.gz VPKQCCMNZXSHMR-IUODEOHRSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571025692 951456839 /nfs/dbraw/zinc/45/68/39/951456839.db2.gz FKEAOLYVUIDWEK-DOMZBBRYSA-N 2 2 366.429 0.769 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571028171 951510316 /nfs/dbraw/zinc/51/03/16/951510316.db2.gz RQPPKAGTJRHACY-CTYIDZIISA-N 2 2 366.429 0.817 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571038226 951641602 /nfs/dbraw/zinc/64/16/02/951641602.db2.gz REDGLFMQZTVVIF-WCQYABFASA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039053 951650956 /nfs/dbraw/zinc/65/09/56/951650956.db2.gz XBCHPPPTNRWQHH-LBPRGKRZSA-N 2 2 367.417 0.361 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575094841 951805602 /nfs/dbraw/zinc/80/56/02/951805602.db2.gz PZCVJVAMRYXYDU-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571052869 951830806 /nfs/dbraw/zinc/83/08/06/951830806.db2.gz ZSCGBERUKKJTQS-APHBMKBZSA-N 2 2 368.445 0.393 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571052869 951830817 /nfs/dbraw/zinc/83/08/17/951830817.db2.gz ZSCGBERUKKJTQS-APHBMKBZSA-N 2 2 368.445 0.393 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575103391 951876000 /nfs/dbraw/zinc/87/60/00/951876000.db2.gz SYXOBGWCBMJVRS-LLVKDONJSA-N 2 2 374.474 0.841 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113845 951947176 /nfs/dbraw/zinc/94/71/76/951947176.db2.gz GZLMAQCFDXKURJ-CYBMUJFWSA-N 2 2 368.445 0.685 20 0 FCADLP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571077088 952117387 /nfs/dbraw/zinc/11/73/87/952117387.db2.gz YEPREVVMXAGVOP-CHWSQXEVSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571077088 952117392 /nfs/dbraw/zinc/11/73/92/952117392.db2.gz YEPREVVMXAGVOP-CHWSQXEVSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001575145250 952181410 /nfs/dbraw/zinc/18/14/10/952181410.db2.gz UGGOOVWMADBTSG-QGZVFWFLSA-N 2 2 367.417 0.277 20 0 FCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266024687 210266838 /nfs/dbraw/zinc/26/68/38/210266838.db2.gz PWNQMQKLNDOJOZ-HNNXBMFYSA-N 2 2 369.487 0.367 20 0 FCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266024687 210266842 /nfs/dbraw/zinc/26/68/42/210266842.db2.gz PWNQMQKLNDOJOZ-HNNXBMFYSA-N 2 2 369.487 0.367 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083135 214075854 /nfs/dbraw/zinc/07/58/54/214075854.db2.gz CONSKIAKWWXBFH-NVXWUHKLSA-N 2 2 367.515 0.772 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083135 214075857 /nfs/dbraw/zinc/07/58/57/214075857.db2.gz CONSKIAKWWXBFH-NVXWUHKLSA-N 2 2 367.515 0.772 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293079152 214144008 /nfs/dbraw/zinc/14/40/08/214144008.db2.gz CYKJSRACESDVRS-ZDUSSCGKSA-N 2 2 363.462 0.479 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000293134186 214149322 /nfs/dbraw/zinc/14/93/22/214149322.db2.gz GAJVKFADVMGLAP-SFHVURJKSA-N 2 2 354.414 0.760 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000293134186 214149326 /nfs/dbraw/zinc/14/93/26/214149326.db2.gz GAJVKFADVMGLAP-SFHVURJKSA-N 2 2 354.414 0.760 20 0 FCADLP CCOC(=O)[C@H](F)C1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000293991556 214215553 /nfs/dbraw/zinc/21/55/53/214215553.db2.gz SDSJZZYQDXDVMO-OAHLLOKOSA-N 2 2 351.426 0.561 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000294580582 214254912 /nfs/dbraw/zinc/25/49/12/214254912.db2.gz YQOJSLHOKAKNOS-AWEZNQCLSA-N 2 2 350.467 0.260 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000294580582 214254915 /nfs/dbraw/zinc/25/49/15/214254915.db2.gz YQOJSLHOKAKNOS-AWEZNQCLSA-N 2 2 350.467 0.260 20 0 FCADLP C[NH+]1CCN(CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265786516 210220613 /nfs/dbraw/zinc/22/06/13/210220613.db2.gz HTPZQVHTSCNLGZ-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+]1CCN(CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265786516 210220620 /nfs/dbraw/zinc/22/06/20/210220620.db2.gz HTPZQVHTSCNLGZ-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1(O)CCOCC1 ZINC000189756032 529827408 /nfs/dbraw/zinc/82/74/08/529827408.db2.gz SSOCUKZUIFWMBN-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1(O)CCOCC1 ZINC000189756032 529827409 /nfs/dbraw/zinc/82/74/09/529827409.db2.gz SSOCUKZUIFWMBN-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410889534 529897455 /nfs/dbraw/zinc/89/74/55/529897455.db2.gz ZFLHWBGVUZPITD-INIZCTEOSA-N 2 2 357.414 0.807 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410900423 529918637 /nfs/dbraw/zinc/91/86/37/529918637.db2.gz QUDBGVCLDQKLBD-IRXDYDNUSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410900423 529918638 /nfs/dbraw/zinc/91/86/38/529918638.db2.gz QUDBGVCLDQKLBD-IRXDYDNUSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410900424 529918666 /nfs/dbraw/zinc/91/86/66/529918666.db2.gz QUDBGVCLDQKLBD-SJORKVTESA-N 2 2 368.522 0.233 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410900424 529918667 /nfs/dbraw/zinc/91/86/67/529918667.db2.gz QUDBGVCLDQKLBD-SJORKVTESA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410431794 529907825 /nfs/dbraw/zinc/90/78/25/529907825.db2.gz IMBDGZIWNYOWRK-MRXNPFEDSA-N 2 2 361.490 0.755 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000410442507 530066312 /nfs/dbraw/zinc/06/63/12/530066312.db2.gz MLYABXNDPKNZPU-UHFFFAOYSA-N 2 2 372.513 0.928 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000410442507 530066313 /nfs/dbraw/zinc/06/63/13/530066313.db2.gz MLYABXNDPKNZPU-UHFFFAOYSA-N 2 2 372.513 0.928 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000265439387 210136010 /nfs/dbraw/zinc/13/60/10/210136010.db2.gz HVUHOZRRYZHNSU-ROUUACIJSA-N 2 2 374.533 0.344 20 0 FCADLP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000331385398 214988327 /nfs/dbraw/zinc/98/83/27/214988327.db2.gz KPDDSVVDSZAEND-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331602114 215021461 /nfs/dbraw/zinc/02/14/61/215021461.db2.gz QEOUJRPVEVKNRL-HNNXBMFYSA-N 2 2 353.463 0.052 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331602114 215021465 /nfs/dbraw/zinc/02/14/65/215021465.db2.gz QEOUJRPVEVKNRL-HNNXBMFYSA-N 2 2 353.463 0.052 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000331646198 215027565 /nfs/dbraw/zinc/02/75/65/215027565.db2.gz VPDLFLBHMAWQQF-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000331646198 215027567 /nfs/dbraw/zinc/02/75/67/215027567.db2.gz VPDLFLBHMAWQQF-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H](C)[N@H+]1C ZINC000331836099 215053600 /nfs/dbraw/zinc/05/36/00/215053600.db2.gz SQZDIGMRMWWTAH-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H](C)[N@@H+]1C ZINC000331836099 215053606 /nfs/dbraw/zinc/05/36/06/215053606.db2.gz SQZDIGMRMWWTAH-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000265123377 210060666 /nfs/dbraw/zinc/06/06/66/210060666.db2.gz WEUGUCOKLSQQMG-UHFFFAOYSA-N 2 2 354.414 0.903 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000332009259 215078952 /nfs/dbraw/zinc/07/89/52/215078952.db2.gz CWIVIERJFZFWIA-SJORKVTESA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000332009259 215078955 /nfs/dbraw/zinc/07/89/55/215078955.db2.gz CWIVIERJFZFWIA-SJORKVTESA-N 2 2 373.501 0.837 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000332084177 215090136 /nfs/dbraw/zinc/09/01/36/215090136.db2.gz PLOKJYDBPKSSIA-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264982712 210032473 /nfs/dbraw/zinc/03/24/73/210032473.db2.gz HUBVHAPAILDEKE-UHFFFAOYSA-N 2 2 354.414 0.903 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000332126454 215097379 /nfs/dbraw/zinc/09/73/79/215097379.db2.gz CZNWMNIKIATRAP-ZDUSSCGKSA-N 2 2 351.451 0.944 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000332126454 215097383 /nfs/dbraw/zinc/09/73/83/215097383.db2.gz CZNWMNIKIATRAP-ZDUSSCGKSA-N 2 2 351.451 0.944 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CC1 ZINC000332126454 215097384 /nfs/dbraw/zinc/09/73/84/215097384.db2.gz CZNWMNIKIATRAP-ZDUSSCGKSA-N 2 2 351.451 0.944 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CC1 ZINC000332126454 215097388 /nfs/dbraw/zinc/09/73/88/215097388.db2.gz CZNWMNIKIATRAP-ZDUSSCGKSA-N 2 2 351.451 0.944 20 0 FCADLP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863420 210002037 /nfs/dbraw/zinc/00/20/37/210002037.db2.gz LGVVPIHWGYOVFM-QAPCUYQASA-N 2 2 373.501 0.711 20 0 FCADLP C[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863420 210002040 /nfs/dbraw/zinc/00/20/40/210002040.db2.gz LGVVPIHWGYOVFM-QAPCUYQASA-N 2 2 373.501 0.711 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000332500177 215162025 /nfs/dbraw/zinc/16/20/25/215162025.db2.gz YMHIRUSEKKEKHY-ZIAGYGMSSA-N 2 2 350.488 0.774 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+]1CCOCC1 ZINC000332510449 215163745 /nfs/dbraw/zinc/16/37/45/215163745.db2.gz JQVSUPYBZVIAHO-INIZCTEOSA-N 2 2 361.490 0.513 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000332528954 215168845 /nfs/dbraw/zinc/16/88/45/215168845.db2.gz OWSMSTHIWHRJOU-SJORKVTESA-N 2 2 358.486 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000332556505 215178645 /nfs/dbraw/zinc/17/86/45/215178645.db2.gz TYBGCSCHISCGPZ-IKGGRYGDSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000332556505 215178648 /nfs/dbraw/zinc/17/86/48/215178648.db2.gz TYBGCSCHISCGPZ-IKGGRYGDSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000332816459 215212528 /nfs/dbraw/zinc/21/25/28/215212528.db2.gz GXDWOZQLYSLIEV-ZACQAIPSSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333033759 215226828 /nfs/dbraw/zinc/22/68/28/215226828.db2.gz NABBTMWYOXBDRF-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333033759 215226831 /nfs/dbraw/zinc/22/68/31/215226831.db2.gz NABBTMWYOXBDRF-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333164515 215244468 /nfs/dbraw/zinc/24/44/68/215244468.db2.gz OIRWPHUNDLZYGV-MRXNPFEDSA-N 2 2 372.535 0.087 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333164515 215244472 /nfs/dbraw/zinc/24/44/72/215244472.db2.gz OIRWPHUNDLZYGV-MRXNPFEDSA-N 2 2 372.535 0.087 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333142981 215240994 /nfs/dbraw/zinc/24/09/94/215240994.db2.gz KQGFMRWEORUKBC-KBAYOESNSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214701 215250735 /nfs/dbraw/zinc/25/07/35/215250735.db2.gz CGMQWCLJQRTPNJ-VNHYZAJKSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214701 215250739 /nfs/dbraw/zinc/25/07/39/215250739.db2.gz CGMQWCLJQRTPNJ-VNHYZAJKSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214701 215250742 /nfs/dbraw/zinc/25/07/42/215250742.db2.gz CGMQWCLJQRTPNJ-VNHYZAJKSA-N 2 2 353.467 0.489 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000286152723 213453670 /nfs/dbraw/zinc/45/36/70/213453670.db2.gz ZMGLTTIBRQSONZ-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333488937 215288696 /nfs/dbraw/zinc/28/86/96/215288696.db2.gz DARRXEFGHNVAMY-OWCVQMPJSA-N 2 2 365.522 0.365 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333488937 215288700 /nfs/dbraw/zinc/28/87/00/215288700.db2.gz DARRXEFGHNVAMY-OWCVQMPJSA-N 2 2 365.522 0.365 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000333457396 215284909 /nfs/dbraw/zinc/28/49/09/215284909.db2.gz OVPPWXVUBARQTK-ZDUSSCGKSA-N 2 2 359.478 0.588 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333590774 215299988 /nfs/dbraw/zinc/29/99/88/215299988.db2.gz VDGFHPQVBRMKDN-IXDOHACOSA-N 2 2 365.522 0.570 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000333743485 215315564 /nfs/dbraw/zinc/31/55/64/215315564.db2.gz XYSKICPSPKSJLS-INIZCTEOSA-N 2 2 363.506 0.634 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333788954 215319156 /nfs/dbraw/zinc/31/91/56/215319156.db2.gz MDYTWQFLAVILHC-INIZCTEOSA-N 2 2 374.489 0.368 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000333811786 215321965 /nfs/dbraw/zinc/32/19/65/215321965.db2.gz GUXINQPUYYAOIE-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000333811786 215321969 /nfs/dbraw/zinc/32/19/69/215321969.db2.gz GUXINQPUYYAOIE-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333964438 215334487 /nfs/dbraw/zinc/33/44/87/215334487.db2.gz PAOLXQSLGFHWGV-QGZVFWFLSA-N 2 2 368.522 0.730 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333964438 215334490 /nfs/dbraw/zinc/33/44/90/215334490.db2.gz PAOLXQSLGFHWGV-QGZVFWFLSA-N 2 2 368.522 0.730 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000334117802 215345579 /nfs/dbraw/zinc/34/55/79/215345579.db2.gz IQVAZELIBRUGJA-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000334117801 215345789 /nfs/dbraw/zinc/34/57/89/215345789.db2.gz IQVAZELIBRUGJA-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCO[C@@H]3CCOC3)C2)CC1 ZINC000360913834 215374708 /nfs/dbraw/zinc/37/47/08/215374708.db2.gz RDCYZNRYKJHOJO-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCO[C@@H]3CCOC3)C2)CC1 ZINC000360913834 215374714 /nfs/dbraw/zinc/37/47/14/215374714.db2.gz RDCYZNRYKJHOJO-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000285548154 213356724 /nfs/dbraw/zinc/35/67/24/213356724.db2.gz IIHPYPXNSPFKLN-CQSZACIVSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c[nH+]1 ZINC000284677809 213195525 /nfs/dbraw/zinc/19/55/25/213195525.db2.gz VFEGLNPHCSRDSF-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP [NH3+]CC1(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000262677126 209636879 /nfs/dbraw/zinc/63/68/79/209636879.db2.gz RIKALYWHRPDEJR-INIZCTEOSA-N 2 2 366.506 0.335 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000284599814 213176969 /nfs/dbraw/zinc/17/69/69/213176969.db2.gz XLDSFLMZUIAWQH-OAHLLOKOSA-N 2 2 359.474 0.767 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000284415202 213133577 /nfs/dbraw/zinc/13/35/77/213133577.db2.gz JSYHPHWVYVNPLS-UHFFFAOYSA-N 2 2 372.513 0.974 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353628 213117748 /nfs/dbraw/zinc/11/77/48/213117748.db2.gz SGCFKWLPPOLBHT-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353628 213117753 /nfs/dbraw/zinc/11/77/53/213117753.db2.gz SGCFKWLPPOLBHT-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000284166424 213088576 /nfs/dbraw/zinc/08/85/76/213088576.db2.gz YUYQCEVABIEHGC-UHFFFAOYSA-N 2 2 355.442 0.734 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000284166424 213088580 /nfs/dbraw/zinc/08/85/80/213088580.db2.gz YUYQCEVABIEHGC-UHFFFAOYSA-N 2 2 355.442 0.734 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000284164694 213088472 /nfs/dbraw/zinc/08/84/72/213088472.db2.gz ZQOFOPMBPKCUJU-AWEZNQCLSA-N 2 2 372.429 0.140 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284130024 213080868 /nfs/dbraw/zinc/08/08/68/213080868.db2.gz DDQUMFFNQRTKKL-OWCLPIDISA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284130024 213080872 /nfs/dbraw/zinc/08/08/72/213080872.db2.gz DDQUMFFNQRTKKL-OWCLPIDISA-N 2 2 357.458 0.520 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000283908685 213032693 /nfs/dbraw/zinc/03/26/93/213032693.db2.gz LEHRCVYXTBFXFZ-QGZVFWFLSA-N 2 2 355.442 0.780 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCSC1 ZINC000283846870 213017712 /nfs/dbraw/zinc/01/77/12/213017712.db2.gz ASTZPSTZFZVDPH-CXAGYDPISA-N 2 2 365.503 0.669 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000283806341 213010862 /nfs/dbraw/zinc/01/08/62/213010862.db2.gz IHUBRCHZILPJFI-SOUVJXGZSA-N 2 2 365.478 0.392 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000283806341 213010865 /nfs/dbraw/zinc/01/08/65/213010865.db2.gz IHUBRCHZILPJFI-SOUVJXGZSA-N 2 2 365.478 0.392 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283795495 213010344 /nfs/dbraw/zinc/01/03/44/213010344.db2.gz HCXORNDEJVLIHA-OAHLLOKOSA-N 2 2 355.442 0.562 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283795495 213010345 /nfs/dbraw/zinc/01/03/45/213010345.db2.gz HCXORNDEJVLIHA-OAHLLOKOSA-N 2 2 355.442 0.562 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000366595247 216002601 /nfs/dbraw/zinc/00/26/01/216002601.db2.gz VGZZFCPIULCPPC-STQMWFEESA-N 2 2 353.385 0.165 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000366595247 216002604 /nfs/dbraw/zinc/00/26/04/216002604.db2.gz VGZZFCPIULCPPC-STQMWFEESA-N 2 2 353.385 0.165 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366595245 216002639 /nfs/dbraw/zinc/00/26/39/216002639.db2.gz VGZZFCPIULCPPC-OLZOCXBDSA-N 2 2 353.385 0.165 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366595245 216002642 /nfs/dbraw/zinc/00/26/42/216002642.db2.gz VGZZFCPIULCPPC-OLZOCXBDSA-N 2 2 353.385 0.165 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000412104710 237169387 /nfs/dbraw/zinc/16/93/87/237169387.db2.gz OCOLHGVDEQYQFD-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000412104710 237169403 /nfs/dbraw/zinc/16/94/03/237169403.db2.gz OCOLHGVDEQYQFD-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000412437279 237213519 /nfs/dbraw/zinc/21/35/19/237213519.db2.gz QPXOUSVUUMBMLN-GOSISDBHSA-N 2 2 371.522 0.585 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000413378074 237323646 /nfs/dbraw/zinc/32/36/46/237323646.db2.gz YFEFAXNJKBFWMW-PBHICJAKSA-N 2 2 354.495 0.458 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000413378074 237323648 /nfs/dbraw/zinc/32/36/48/237323648.db2.gz YFEFAXNJKBFWMW-PBHICJAKSA-N 2 2 354.495 0.458 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000413378077 237324883 /nfs/dbraw/zinc/32/48/83/237324883.db2.gz YFEFAXNJKBFWMW-YOEHRIQHSA-N 2 2 354.495 0.458 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000413378077 237324885 /nfs/dbraw/zinc/32/48/85/237324885.db2.gz YFEFAXNJKBFWMW-YOEHRIQHSA-N 2 2 354.495 0.458 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000931229701 674102424 /nfs/dbraw/zinc/10/24/24/674102424.db2.gz VSTKTGLCFVZTGF-OAHLLOKOSA-N 2 2 360.524 0.118 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000931229701 674102425 /nfs/dbraw/zinc/10/24/25/674102425.db2.gz VSTKTGLCFVZTGF-OAHLLOKOSA-N 2 2 360.524 0.118 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865636 216042819 /nfs/dbraw/zinc/04/28/19/216042819.db2.gz DFEMOIRADQXKJI-CABCVRRESA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865636 216042823 /nfs/dbraw/zinc/04/28/23/216042823.db2.gz DFEMOIRADQXKJI-CABCVRRESA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030319 216065749 /nfs/dbraw/zinc/06/57/49/216065749.db2.gz PYLPXXVQDJZHCM-JKSUJKDBSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030319 216065752 /nfs/dbraw/zinc/06/57/52/216065752.db2.gz PYLPXXVQDJZHCM-JKSUJKDBSA-N 2 2 365.522 0.665 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000367200247 216090694 /nfs/dbraw/zinc/09/06/94/216090694.db2.gz NMMDCXUBSUDRDG-INIZCTEOSA-N 2 2 371.547 0.830 20 0 FCADLP CCN(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000367200247 216090696 /nfs/dbraw/zinc/09/06/96/216090696.db2.gz NMMDCXUBSUDRDG-INIZCTEOSA-N 2 2 371.547 0.830 20 0 FCADLP CN(C(=O)C(C)(C)N1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367343980 216109750 /nfs/dbraw/zinc/10/97/50/216109750.db2.gz RMQHYSUVFOBCLC-KRWDZBQOSA-N 2 2 352.523 0.724 20 0 FCADLP CN(C(=O)C(C)(C)N1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367343980 216109753 /nfs/dbraw/zinc/10/97/53/216109753.db2.gz RMQHYSUVFOBCLC-KRWDZBQOSA-N 2 2 352.523 0.724 20 0 FCADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000367598908 216140718 /nfs/dbraw/zinc/14/07/18/216140718.db2.gz AQUTYDVZWAPCDG-BBZRVKOSSA-N 2 2 351.491 0.569 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCC(N)=O)CC2)cc1 ZINC000367606995 216143072 /nfs/dbraw/zinc/14/30/72/216143072.db2.gz LUJFNEQRXYMNHP-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCC(N)=O)CC2)cc1 ZINC000367606995 216143075 /nfs/dbraw/zinc/14/30/75/216143075.db2.gz LUJFNEQRXYMNHP-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCC(N)=O)CC2)cc1 ZINC000367606995 216143080 /nfs/dbraw/zinc/14/30/80/216143080.db2.gz LUJFNEQRXYMNHP-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP O=C1c2ccccc2C(=O)N1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367883153 216174791 /nfs/dbraw/zinc/17/47/91/216174791.db2.gz AUWNCLRHKQMLEV-UHFFFAOYSA-N 2 2 373.453 0.442 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367947919 216182350 /nfs/dbraw/zinc/18/23/50/216182350.db2.gz NWQUTNHOWLLXSY-MRXNPFEDSA-N 2 2 374.489 0.667 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367947919 216182353 /nfs/dbraw/zinc/18/23/53/216182353.db2.gz NWQUTNHOWLLXSY-MRXNPFEDSA-N 2 2 374.489 0.667 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180783 216211904 /nfs/dbraw/zinc/21/19/04/216211904.db2.gz POFNWUNAFMRILB-ILXRZTDVSA-N 2 2 355.479 0.628 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180783 216211910 /nfs/dbraw/zinc/21/19/10/216211910.db2.gz POFNWUNAFMRILB-ILXRZTDVSA-N 2 2 355.479 0.628 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000246476882 209390828 /nfs/dbraw/zinc/39/08/28/209390828.db2.gz RDRNCGHRDIKNQA-KURKYZTESA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000246476882 209390831 /nfs/dbraw/zinc/39/08/31/209390831.db2.gz RDRNCGHRDIKNQA-KURKYZTESA-N 2 2 367.538 0.517 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000245438170 209366450 /nfs/dbraw/zinc/36/64/50/209366450.db2.gz FESHLBZNVYWEAL-ZWKOTPCHSA-N 2 2 350.507 0.921 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000245438170 209366451 /nfs/dbraw/zinc/36/64/51/209366451.db2.gz FESHLBZNVYWEAL-ZWKOTPCHSA-N 2 2 350.507 0.921 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000368244055 216222913 /nfs/dbraw/zinc/22/29/13/216222913.db2.gz MZCRUZSWFSWEHB-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000368244055 216222919 /nfs/dbraw/zinc/22/29/19/216222919.db2.gz MZCRUZSWFSWEHB-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000237896587 209359988 /nfs/dbraw/zinc/35/99/88/209359988.db2.gz QQBROXSCLUGXCU-JKSUJKDBSA-N 2 2 359.474 0.754 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000237443318 209352405 /nfs/dbraw/zinc/35/24/05/209352405.db2.gz MYXMQBRGAAYESA-MRXNPFEDSA-N 2 2 360.458 0.179 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000236809890 209343888 /nfs/dbraw/zinc/34/38/88/209343888.db2.gz FCCHMHSJLLQMKA-UHFFFAOYSA-N 2 2 350.467 0.385 20 0 FCADLP CCOC1CC(CNC(=O)NCC[NH+](CC)CC)([NH+]2CCOCC2)C1 ZINC000193331276 209311027 /nfs/dbraw/zinc/31/10/27/209311027.db2.gz IDSLMFDYJZQLHX-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000368439722 216248850 /nfs/dbraw/zinc/24/88/50/216248850.db2.gz XOXSIYVKCHNRLZ-IIAWOOMASA-N 2 2 352.479 0.605 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000368439722 216248855 /nfs/dbraw/zinc/24/88/55/216248855.db2.gz XOXSIYVKCHNRLZ-IIAWOOMASA-N 2 2 352.479 0.605 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642653 216274948 /nfs/dbraw/zinc/27/49/48/216274948.db2.gz LDBCGRSYMRVWGE-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642653 216274951 /nfs/dbraw/zinc/27/49/51/216274951.db2.gz LDBCGRSYMRVWGE-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642653 216274955 /nfs/dbraw/zinc/27/49/55/216274955.db2.gz LDBCGRSYMRVWGE-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642653 216274958 /nfs/dbraw/zinc/27/49/58/216274958.db2.gz LDBCGRSYMRVWGE-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790501 216296011 /nfs/dbraw/zinc/29/60/11/216296011.db2.gz MBQBAWHZPDWJDY-RISCZKNCSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790501 216296013 /nfs/dbraw/zinc/29/60/13/216296013.db2.gz MBQBAWHZPDWJDY-RISCZKNCSA-N 2 2 352.401 0.767 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963092 216324694 /nfs/dbraw/zinc/32/46/94/216324694.db2.gz HPQXLNFULIAMGJ-GJYPPUQNSA-N 2 2 371.485 0.706 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963092 216324698 /nfs/dbraw/zinc/32/46/98/216324698.db2.gz HPQXLNFULIAMGJ-GJYPPUQNSA-N 2 2 371.485 0.706 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000369153802 216355460 /nfs/dbraw/zinc/35/54/60/216355460.db2.gz SBUVQSKCYHMAJQ-FUHWJXTLSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000369153802 216355463 /nfs/dbraw/zinc/35/54/63/216355463.db2.gz SBUVQSKCYHMAJQ-FUHWJXTLSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccc(F)c3)C2)CC1 ZINC000369259206 216372602 /nfs/dbraw/zinc/37/26/02/216372602.db2.gz YXVANINZRQJROT-MRXNPFEDSA-N 2 2 362.449 0.840 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccc(F)c3)C2)CC1 ZINC000369259206 216372603 /nfs/dbraw/zinc/37/26/03/216372603.db2.gz YXVANINZRQJROT-MRXNPFEDSA-N 2 2 362.449 0.840 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3cccc(F)c3)C2)CC1 ZINC000369259204 216372670 /nfs/dbraw/zinc/37/26/70/216372670.db2.gz YXVANINZRQJROT-INIZCTEOSA-N 2 2 362.449 0.840 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3cccc(F)c3)C2)CC1 ZINC000369259204 216372674 /nfs/dbraw/zinc/37/26/74/216372674.db2.gz YXVANINZRQJROT-INIZCTEOSA-N 2 2 362.449 0.840 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000369255370 216371365 /nfs/dbraw/zinc/37/13/65/216371365.db2.gz MOOYPXRYWCLBPT-ZDUSSCGKSA-N 2 2 356.426 0.469 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000369255370 216371367 /nfs/dbraw/zinc/37/13/67/216371367.db2.gz MOOYPXRYWCLBPT-ZDUSSCGKSA-N 2 2 356.426 0.469 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369269360 216374046 /nfs/dbraw/zinc/37/40/46/216374046.db2.gz IVPSPKVTIDMYIO-OAHLLOKOSA-N 2 2 370.494 0.016 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc4sccn4c3=O)C2)CC1 ZINC000369274103 216376624 /nfs/dbraw/zinc/37/66/24/216376624.db2.gz MOQYQNIKQJJBJE-GFCCVEGCSA-N 2 2 361.471 0.654 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc4sccn4c3=O)C2)CC1 ZINC000369274103 216376626 /nfs/dbraw/zinc/37/66/26/216376626.db2.gz MOQYQNIKQJJBJE-GFCCVEGCSA-N 2 2 361.471 0.654 20 0 FCADLP CCOC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372280 216391078 /nfs/dbraw/zinc/39/10/78/216391078.db2.gz HNQYAYMCXQUVBE-OAHLLOKOSA-N 2 2 367.494 0.639 20 0 FCADLP CCOC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372280 216391080 /nfs/dbraw/zinc/39/10/80/216391080.db2.gz HNQYAYMCXQUVBE-OAHLLOKOSA-N 2 2 367.494 0.639 20 0 FCADLP Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375829 216391573 /nfs/dbraw/zinc/39/15/73/216391573.db2.gz ZDPNVJYMSXYNIB-CABCVRRESA-N 2 2 361.494 0.369 20 0 FCADLP Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375829 216391575 /nfs/dbraw/zinc/39/15/75/216391575.db2.gz ZDPNVJYMSXYNIB-CABCVRRESA-N 2 2 361.494 0.369 20 0 FCADLP CCN1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000190229654 209268923 /nfs/dbraw/zinc/26/89/23/209268923.db2.gz XKTZTKPRCDYKIS-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP CCN1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000190229654 209268926 /nfs/dbraw/zinc/26/89/26/209268926.db2.gz XKTZTKPRCDYKIS-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000189753402 209260413 /nfs/dbraw/zinc/26/04/13/209260413.db2.gz HZBBNSOWSSCHGD-PKOBYXMFSA-N 2 2 360.502 0.500 20 0 FCADLP COC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000189385063 209250462 /nfs/dbraw/zinc/25/04/62/209250462.db2.gz ULOUMVQATPFJHI-DLBZAZTESA-N 2 2 362.474 0.856 20 0 FCADLP COC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000189385063 209250465 /nfs/dbraw/zinc/25/04/65/209250465.db2.gz ULOUMVQATPFJHI-DLBZAZTESA-N 2 2 362.474 0.856 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188748903 209239370 /nfs/dbraw/zinc/23/93/70/209239370.db2.gz JWQPIZADFOBVEI-GASCZTMLSA-N 2 2 360.506 0.686 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188748903 209239374 /nfs/dbraw/zinc/23/93/74/209239374.db2.gz JWQPIZADFOBVEI-GASCZTMLSA-N 2 2 360.506 0.686 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000277445806 212360269 /nfs/dbraw/zinc/36/02/69/212360269.db2.gz MXAJFRSLCRSOHM-OAHLLOKOSA-N 2 2 362.478 0.038 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000277445806 212360266 /nfs/dbraw/zinc/36/02/66/212360266.db2.gz MXAJFRSLCRSOHM-OAHLLOKOSA-N 2 2 362.478 0.038 20 0 FCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000277268075 212345573 /nfs/dbraw/zinc/34/55/73/212345573.db2.gz RJFKOXLJHHHFME-MRXNPFEDSA-N 2 2 362.474 0.583 20 0 FCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000277268075 212345575 /nfs/dbraw/zinc/34/55/75/212345575.db2.gz RJFKOXLJHHHFME-MRXNPFEDSA-N 2 2 362.474 0.583 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277258952 212343662 /nfs/dbraw/zinc/34/36/62/212343662.db2.gz QUTZSVJJIUHWMX-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277258952 212343666 /nfs/dbraw/zinc/34/36/66/212343666.db2.gz QUTZSVJJIUHWMX-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188308818 209229167 /nfs/dbraw/zinc/22/91/67/209229167.db2.gz XTXPXKMVTNKRAY-HNAYVOBHSA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188308818 209229173 /nfs/dbraw/zinc/22/91/73/209229173.db2.gz XTXPXKMVTNKRAY-HNAYVOBHSA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188308818 209229177 /nfs/dbraw/zinc/22/91/77/209229177.db2.gz XTXPXKMVTNKRAY-HNAYVOBHSA-N 2 2 362.474 0.789 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1CCO ZINC000187677766 209216746 /nfs/dbraw/zinc/21/67/46/209216746.db2.gz GNWFASZEXVIDSM-INIZCTEOSA-N 2 2 366.531 0.391 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1CCO ZINC000187677766 209216749 /nfs/dbraw/zinc/21/67/49/209216749.db2.gz GNWFASZEXVIDSM-INIZCTEOSA-N 2 2 366.531 0.391 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000187126611 209207420 /nfs/dbraw/zinc/20/74/20/209207420.db2.gz HIFDDTUXEFSXIM-SFHVURJKSA-N 2 2 364.490 0.673 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000187126611 209207421 /nfs/dbraw/zinc/20/74/21/209207421.db2.gz HIFDDTUXEFSXIM-SFHVURJKSA-N 2 2 364.490 0.673 20 0 FCADLP O=C(C[NH+]1CCC(Cn2cncn2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000186240917 209189397 /nfs/dbraw/zinc/18/93/97/209189397.db2.gz PLODMRQOSZTIIC-UHFFFAOYSA-N 2 2 372.473 0.928 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275766951 212088025 /nfs/dbraw/zinc/08/80/25/212088025.db2.gz HCCMQVGWOQVPEP-UHFFFAOYSA-N 2 2 362.474 0.520 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433906 674114621 /nfs/dbraw/zinc/11/46/21/674114621.db2.gz JMPVCTRTJOJEAV-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433906 674114622 /nfs/dbraw/zinc/11/46/22/674114622.db2.gz JMPVCTRTJOJEAV-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433906 674114625 /nfs/dbraw/zinc/11/46/25/674114625.db2.gz JMPVCTRTJOJEAV-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433906 674114626 /nfs/dbraw/zinc/11/46/26/674114626.db2.gz JMPVCTRTJOJEAV-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275655701 212068214 /nfs/dbraw/zinc/06/82/14/212068214.db2.gz UTWDDIXXZLNVAV-QZTJIDSGSA-N 2 2 358.486 0.965 20 0 FCADLP [NH3+]Cc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc(C(F)(F)F)c1 ZINC000415027634 245343441 /nfs/dbraw/zinc/34/34/41/245343441.db2.gz WSVVSLZOJOBBNN-UHFFFAOYSA-N 2 2 374.363 0.239 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415285703 245377486 /nfs/dbraw/zinc/37/74/86/245377486.db2.gz SJIMMOJDIAUMPC-MRXNPFEDSA-N 2 2 374.485 0.915 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)CCC2 ZINC000374418206 217127118 /nfs/dbraw/zinc/12/71/18/217127118.db2.gz DSNGKZJQAAXNCQ-QAPCUYQASA-N 2 2 365.478 0.451 20 0 FCADLP CC(C)c1nnc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000374563727 217144172 /nfs/dbraw/zinc/14/41/72/217144172.db2.gz VJAJBRDUKOURAC-CQSZACIVSA-N 2 2 351.451 0.730 20 0 FCADLP CC(C)c1nnc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)o1 ZINC000374563727 217144176 /nfs/dbraw/zinc/14/41/76/217144176.db2.gz VJAJBRDUKOURAC-CQSZACIVSA-N 2 2 351.451 0.730 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000374948619 217195635 /nfs/dbraw/zinc/19/56/35/217195635.db2.gz QXARTZJVSXKIEW-MRXNPFEDSA-N 2 2 365.522 0.855 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000374948619 217195637 /nfs/dbraw/zinc/19/56/37/217195637.db2.gz QXARTZJVSXKIEW-MRXNPFEDSA-N 2 2 365.522 0.855 20 0 FCADLP COCc1noc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000182654677 209134068 /nfs/dbraw/zinc/13/40/68/209134068.db2.gz QXIYZWBHTPSPLY-UHFFFAOYSA-N 2 2 351.451 0.592 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166576 209127325 /nfs/dbraw/zinc/12/73/25/209127325.db2.gz HSFIHSRIVYJZQY-PBHICJAKSA-N 2 2 362.478 0.382 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166576 209127328 /nfs/dbraw/zinc/12/73/28/209127328.db2.gz HSFIHSRIVYJZQY-PBHICJAKSA-N 2 2 362.478 0.382 20 0 FCADLP CC1(C)[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]2CCCO[C@@H]21 ZINC000181978882 209125660 /nfs/dbraw/zinc/12/56/60/209125660.db2.gz WUWQCNKYHFHIPV-AHCXZYCDSA-N 2 2 351.491 0.713 20 0 FCADLP CC1(C)[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000181978925 209126740 /nfs/dbraw/zinc/12/67/40/209126740.db2.gz WUWQCNKYHFHIPV-ATLSCFEFSA-N 2 2 351.491 0.713 20 0 FCADLP CC[C@H]([NH3+])CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417621224 245712475 /nfs/dbraw/zinc/71/24/75/245712475.db2.gz HATNIDHROBLBOZ-INIZCTEOSA-N 2 2 353.511 0.747 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000376193795 217366903 /nfs/dbraw/zinc/36/69/03/217366903.db2.gz GAQNAQUHQUUJMF-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000419115742 245991453 /nfs/dbraw/zinc/99/14/53/245991453.db2.gz KIEDRYFCYSKFLX-HRCADAONSA-N 2 2 354.495 0.045 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419153871 246019416 /nfs/dbraw/zinc/01/94/16/246019416.db2.gz PGJLGFSAGIFTDI-OAHLLOKOSA-N 2 2 355.442 0.562 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c[nH+]2)CC1 ZINC000419196893 246046742 /nfs/dbraw/zinc/04/67/42/246046742.db2.gz ADAZBFGHVMOJNI-CALCHBBNSA-N 2 2 371.485 0.612 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270040 246083633 /nfs/dbraw/zinc/08/36/33/246083633.db2.gz CNAHVTFOMWKRTP-WMLDXEAASA-N 2 2 355.442 0.662 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419232058 246070333 /nfs/dbraw/zinc/07/03/33/246070333.db2.gz KENNDQDOWAZHGU-RDBSUJKOSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419232058 246070339 /nfs/dbraw/zinc/07/03/39/246070339.db2.gz KENNDQDOWAZHGU-RDBSUJKOSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419237216 246075113 /nfs/dbraw/zinc/07/51/13/246075113.db2.gz OICXUGSYJCNMQF-OLZOCXBDSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419237216 246075116 /nfs/dbraw/zinc/07/51/16/246075116.db2.gz OICXUGSYJCNMQF-OLZOCXBDSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419246951 246076463 /nfs/dbraw/zinc/07/64/63/246076463.db2.gz WPXGZRURJJMWPD-LBPRGKRZSA-N 2 2 354.401 0.260 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419246951 246076468 /nfs/dbraw/zinc/07/64/68/246076468.db2.gz WPXGZRURJJMWPD-LBPRGKRZSA-N 2 2 354.401 0.260 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)[NH2+]1 ZINC000419268988 246080197 /nfs/dbraw/zinc/08/01/97/246080197.db2.gz AVSGVEGVBXRFKN-GJZGRUSLSA-N 2 2 355.442 0.756 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419273024 246082313 /nfs/dbraw/zinc/08/23/13/246082313.db2.gz HEXVFTOOTWLSAK-UHFFFAOYSA-N 2 2 357.458 0.991 20 0 FCADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419305956 246092750 /nfs/dbraw/zinc/09/27/50/246092750.db2.gz LZCKYBKZBXYDFF-CALCHBBNSA-N 2 2 371.485 0.756 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419379967 246125895 /nfs/dbraw/zinc/12/58/95/246125895.db2.gz BFZVZEWHQIFJNA-HUUCEWRRSA-N 2 2 368.865 0.164 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419379967 246125900 /nfs/dbraw/zinc/12/59/00/246125900.db2.gz BFZVZEWHQIFJNA-HUUCEWRRSA-N 2 2 368.865 0.164 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000419688632 246251562 /nfs/dbraw/zinc/25/15/62/246251562.db2.gz RIIGRFXHQNKDPN-XYVMCAHJSA-N 2 2 374.485 0.165 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000419688629 246253115 /nfs/dbraw/zinc/25/31/15/246253115.db2.gz RIIGRFXHQNKDPN-CIRFHOKZSA-N 2 2 374.485 0.165 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1C ZINC000419733525 246277036 /nfs/dbraw/zinc/27/70/36/246277036.db2.gz UGDKUYDJIHFSAG-RHSMWYFYSA-N 2 2 357.462 0.814 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000419865666 246335120 /nfs/dbraw/zinc/33/51/20/246335120.db2.gz ASWRPPMTTDYYOK-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000419865666 246335126 /nfs/dbraw/zinc/33/51/26/246335126.db2.gz ASWRPPMTTDYYOK-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419890373 246353823 /nfs/dbraw/zinc/35/38/23/246353823.db2.gz SQNFPKMDEWKIHB-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419890373 246353828 /nfs/dbraw/zinc/35/38/28/246353828.db2.gz SQNFPKMDEWKIHB-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000419938176 246377303 /nfs/dbraw/zinc/37/73/03/246377303.db2.gz WOAVXQXXPUQHNS-HZPDHXFCSA-N 2 2 370.457 0.431 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419903665 246359506 /nfs/dbraw/zinc/35/95/06/246359506.db2.gz VHDHAFAWTNKFED-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000419957495 246387440 /nfs/dbraw/zinc/38/74/40/246387440.db2.gz PNNIOZSCBOLKIL-ZDUSSCGKSA-N 2 2 362.478 0.268 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419963325 246390182 /nfs/dbraw/zinc/39/01/82/246390182.db2.gz HVZNIIRACDGUJK-HLLBOEOZSA-N 2 2 368.522 0.578 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419963325 246390185 /nfs/dbraw/zinc/39/01/85/246390185.db2.gz HVZNIIRACDGUJK-HLLBOEOZSA-N 2 2 368.522 0.578 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419940978 246379711 /nfs/dbraw/zinc/37/97/11/246379711.db2.gz VYNSTSWCAUCOSP-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3(C)C[NH2+]C3)c2)CC1 ZINC000423353143 247008471 /nfs/dbraw/zinc/00/84/71/247008471.db2.gz BBANKDSIPCSYJC-UHFFFAOYSA-N 2 2 352.460 0.171 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000423373790 247015074 /nfs/dbraw/zinc/01/50/74/247015074.db2.gz SGLZDBZHTVVEKR-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423308102 247000872 /nfs/dbraw/zinc/00/08/72/247000872.db2.gz IRAMNWGPLONKIF-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423308102 247000874 /nfs/dbraw/zinc/00/08/74/247000874.db2.gz IRAMNWGPLONKIF-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000423417160 247023691 /nfs/dbraw/zinc/02/36/91/247023691.db2.gz RWQAPQAFOFKYIO-YOEHRIQHSA-N 2 2 360.458 0.369 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423331286 247006712 /nfs/dbraw/zinc/00/67/12/247006712.db2.gz QBMGACBLOHKGJN-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423331286 247006716 /nfs/dbraw/zinc/00/67/16/247006716.db2.gz QBMGACBLOHKGJN-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000423331987 247006894 /nfs/dbraw/zinc/00/68/94/247006894.db2.gz QPNXBPGCUWTWSA-IYBDPMFKSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000423331987 247006899 /nfs/dbraw/zinc/00/68/99/247006899.db2.gz QPNXBPGCUWTWSA-IYBDPMFKSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423340911 247007039 /nfs/dbraw/zinc/00/70/39/247007039.db2.gz VZIOFPGJUSDNQC-IKGGRYGDSA-N 2 2 350.507 0.920 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000423590056 247065587 /nfs/dbraw/zinc/06/55/87/247065587.db2.gz DENREUSLKBAOIE-CVEARBPZSA-N 2 2 374.485 0.721 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423489997 247038547 /nfs/dbraw/zinc/03/85/47/247038547.db2.gz HDVMPJCSYLWMMQ-ZACQAIPSSA-N 2 2 366.506 0.014 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423510755 247039506 /nfs/dbraw/zinc/03/95/06/247039506.db2.gz PWDIXLJVSHBCCW-DLBZAZTESA-N 2 2 373.432 0.824 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000423673259 247105371 /nfs/dbraw/zinc/10/53/71/247105371.db2.gz OXHNTLSAOGWPJP-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423692380 247110907 /nfs/dbraw/zinc/11/09/07/247110907.db2.gz QKRSJRJSOKZTKY-UHFFFAOYSA-N 2 2 367.453 0.718 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000423693755 247112883 /nfs/dbraw/zinc/11/28/83/247112883.db2.gz ACIPKEHRRBNQOO-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423604294 247073603 /nfs/dbraw/zinc/07/36/03/247073603.db2.gz FIBCXFLXBWXECG-INIZCTEOSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000423604294 247073607 /nfs/dbraw/zinc/07/36/07/247073607.db2.gz FIBCXFLXBWXECG-INIZCTEOSA-N 2 2 358.486 0.917 20 0 FCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000423621976 247078835 /nfs/dbraw/zinc/07/88/35/247078835.db2.gz YQSRWAHTORTCJK-MRXNPFEDSA-N 2 2 362.474 0.625 20 0 FCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000423621976 247078839 /nfs/dbraw/zinc/07/88/39/247078839.db2.gz YQSRWAHTORTCJK-MRXNPFEDSA-N 2 2 362.474 0.625 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423662400 247099528 /nfs/dbraw/zinc/09/95/28/247099528.db2.gz FKDZELAWJKRVEV-KGLIPLIRSA-N 2 2 350.488 0.588 20 0 FCADLP [NH3+][C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCC1 ZINC000423769343 247140233 /nfs/dbraw/zinc/14/02/33/247140233.db2.gz DZUNOIKBMNURIE-KRWDZBQOSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCC1 ZINC000423769343 247140236 /nfs/dbraw/zinc/14/02/36/247140236.db2.gz DZUNOIKBMNURIE-KRWDZBQOSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000423751868 247140627 /nfs/dbraw/zinc/14/06/27/247140627.db2.gz BTZBBNGZZRQMRS-QAPCUYQASA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000423751868 247140631 /nfs/dbraw/zinc/14/06/31/247140631.db2.gz BTZBBNGZZRQMRS-QAPCUYQASA-N 2 2 374.489 0.526 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000423921937 247150365 /nfs/dbraw/zinc/15/03/65/247150365.db2.gz VEGYDWQMWIYCQV-KBPBESRZSA-N 2 2 354.426 0.699 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000423921937 247150368 /nfs/dbraw/zinc/15/03/68/247150368.db2.gz VEGYDWQMWIYCQV-KBPBESRZSA-N 2 2 354.426 0.699 20 0 FCADLP CN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423954219 247155063 /nfs/dbraw/zinc/15/50/63/247155063.db2.gz REXCPKKRJODDNZ-MRXNPFEDSA-N 2 2 359.474 0.706 20 0 FCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000423703172 247115954 /nfs/dbraw/zinc/11/59/54/247115954.db2.gz ZPOHOKALXLDZGX-QGZVFWFLSA-N 2 2 374.485 0.721 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000423742972 247134893 /nfs/dbraw/zinc/13/48/93/247134893.db2.gz LLMHVCDANNOOGO-SJLPKXTDSA-N 2 2 373.501 0.887 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000424539462 247254747 /nfs/dbraw/zinc/25/47/47/247254747.db2.gz FIZFIYDUMZBFTP-JKSUJKDBSA-N 2 2 356.430 0.001 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000425379328 247327468 /nfs/dbraw/zinc/32/74/68/247327468.db2.gz APDSPHCZBAAEMR-INIZCTEOSA-N 2 2 364.490 0.028 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000425386195 247330524 /nfs/dbraw/zinc/33/05/24/247330524.db2.gz LOVQZSZRPMUWFL-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000425386195 247330526 /nfs/dbraw/zinc/33/05/26/247330526.db2.gz LOVQZSZRPMUWFL-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000425393625 247332716 /nfs/dbraw/zinc/33/27/16/247332716.db2.gz DKXPSPIWGUZJBO-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425405943 247336947 /nfs/dbraw/zinc/33/69/47/247336947.db2.gz RRCACLOSUOMOHO-GOEBONIOSA-N 2 2 359.474 0.730 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425405943 247336952 /nfs/dbraw/zinc/33/69/52/247336952.db2.gz RRCACLOSUOMOHO-GOEBONIOSA-N 2 2 359.474 0.730 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)n1C ZINC000425353255 247326278 /nfs/dbraw/zinc/32/62/78/247326278.db2.gz NGJNJZJCMHYLHR-LBPRGKRZSA-N 2 2 358.489 0.472 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H](C)S(C)(=O)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435562187 248000312 /nfs/dbraw/zinc/00/03/12/248000312.db2.gz CJMMFDQHPOXHIK-KGLIPLIRSA-N 2 2 368.503 0.807 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567077 248000372 /nfs/dbraw/zinc/00/03/72/248000372.db2.gz PHCXTZOOTGVVLY-LSDHHAIUSA-N 2 2 359.474 0.900 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000435566135 248001007 /nfs/dbraw/zinc/00/10/07/248001007.db2.gz VQUYCRVFESRTBL-CABCVRRESA-N 2 2 359.474 0.900 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000435580969 248002430 /nfs/dbraw/zinc/00/24/30/248002430.db2.gz SWMCZFLITBCWHH-ZACQAIPSSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000435580969 248002433 /nfs/dbraw/zinc/00/24/33/248002433.db2.gz SWMCZFLITBCWHH-ZACQAIPSSA-N 2 2 356.511 0.441 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC(=O)c3cccs3)C2)CC1 ZINC000436368930 248039763 /nfs/dbraw/zinc/03/97/63/248039763.db2.gz KOJKOCUCSKAJQY-HNNXBMFYSA-N 2 2 364.515 0.759 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC(=O)c3cccs3)C2)CC1 ZINC000436368930 248039767 /nfs/dbraw/zinc/03/97/67/248039767.db2.gz KOJKOCUCSKAJQY-HNNXBMFYSA-N 2 2 364.515 0.759 20 0 FCADLP C[C@@H]1[NH2+]CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000436047686 248030045 /nfs/dbraw/zinc/03/00/45/248030045.db2.gz DFOSUHSQQYHAOR-IRXDYDNUSA-N 2 2 360.502 0.817 20 0 FCADLP C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000436060853 248030380 /nfs/dbraw/zinc/03/03/80/248030380.db2.gz GOEIAEHJNLMIOI-DLBZAZTESA-N 2 2 372.513 0.948 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000440273126 248166379 /nfs/dbraw/zinc/16/63/79/248166379.db2.gz VJEDOFLYEKCHPS-HNNXBMFYSA-N 2 2 360.458 0.620 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000440273126 248166381 /nfs/dbraw/zinc/16/63/81/248166381.db2.gz VJEDOFLYEKCHPS-HNNXBMFYSA-N 2 2 360.458 0.620 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000440273128 248166852 /nfs/dbraw/zinc/16/68/52/248166852.db2.gz VJEDOFLYEKCHPS-OAHLLOKOSA-N 2 2 360.458 0.620 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000440273128 248166855 /nfs/dbraw/zinc/16/68/55/248166855.db2.gz VJEDOFLYEKCHPS-OAHLLOKOSA-N 2 2 360.458 0.620 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441184248 248241778 /nfs/dbraw/zinc/24/17/78/248241778.db2.gz UXWQIYZGMRFEAH-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441184248 248241781 /nfs/dbraw/zinc/24/17/81/248241781.db2.gz UXWQIYZGMRFEAH-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(NCC(=O)OC(C)(C)C)C2)CC1 ZINC000440500039 248192273 /nfs/dbraw/zinc/19/22/73/248192273.db2.gz YFSWPJRPQJOPJT-SFHVURJKSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(NCC(=O)OC(C)(C)C)C2)CC1 ZINC000440500039 248192276 /nfs/dbraw/zinc/19/22/76/248192276.db2.gz YFSWPJRPQJOPJT-SFHVURJKSA-N 2 2 354.495 0.156 20 0 FCADLP C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757672 248295720 /nfs/dbraw/zinc/29/57/20/248295720.db2.gz MSHJLSFQVUEVLQ-XYPWUTKMSA-N 2 2 360.458 0.779 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757672 248295724 /nfs/dbraw/zinc/29/57/24/248295724.db2.gz MSHJLSFQVUEVLQ-XYPWUTKMSA-N 2 2 360.458 0.779 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000442759883 248295898 /nfs/dbraw/zinc/29/58/98/248295898.db2.gz FJFLFVZKTAEUOQ-IHRRRGAJSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000442759883 248295902 /nfs/dbraw/zinc/29/59/02/248295902.db2.gz FJFLFVZKTAEUOQ-IHRRRGAJSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771506 248297694 /nfs/dbraw/zinc/29/76/94/248297694.db2.gz TZAJNQGMZRHXAK-IAGOWNOFSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771506 248297695 /nfs/dbraw/zinc/29/76/95/248297695.db2.gz TZAJNQGMZRHXAK-IAGOWNOFSA-N 3 2 360.502 0.804 20 0 FCADLP Cn1cc[nH+]c1N1CCN(CCC[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000270832670 211278251 /nfs/dbraw/zinc/27/82/51/211278251.db2.gz SNUIPYRDIBYJFB-UHFFFAOYSA-N 3 2 372.521 0.488 20 0 FCADLP NC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000270673960 211246759 /nfs/dbraw/zinc/24/67/59/211246759.db2.gz SOTIYZXTGPUZHR-ZDUSSCGKSA-N 2 2 351.476 0.135 20 0 FCADLP NC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000270673960 211246763 /nfs/dbraw/zinc/24/67/63/211246763.db2.gz SOTIYZXTGPUZHR-ZDUSSCGKSA-N 2 2 351.476 0.135 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000270527875 211218218 /nfs/dbraw/zinc/21/82/18/211218218.db2.gz UZAYZEOLHPWKMG-LQKXBSAESA-N 2 2 366.462 0.744 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000270527875 211218222 /nfs/dbraw/zinc/21/82/22/211218222.db2.gz UZAYZEOLHPWKMG-LQKXBSAESA-N 2 2 366.462 0.744 20 0 FCADLP COCC1(O)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000270367744 211191864 /nfs/dbraw/zinc/19/18/64/211191864.db2.gz MBDAFVZUNSEOGJ-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000469994894 250019667 /nfs/dbraw/zinc/01/96/67/250019667.db2.gz YULBNLYWNMOQAN-UHFFFAOYSA-N 2 2 357.414 0.669 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000469994894 250019671 /nfs/dbraw/zinc/01/96/71/250019671.db2.gz YULBNLYWNMOQAN-UHFFFAOYSA-N 2 2 357.414 0.669 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000469763915 250004053 /nfs/dbraw/zinc/00/40/53/250004053.db2.gz MLVPYDZALLBTAY-KFWWJZLASA-N 2 2 352.483 0.861 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)CC1 ZINC000471754876 250118786 /nfs/dbraw/zinc/11/87/86/250118786.db2.gz DTPIMBPKWHYAEM-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)CC1 ZINC000471754876 250118791 /nfs/dbraw/zinc/11/87/91/250118791.db2.gz DTPIMBPKWHYAEM-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000472063590 250129382 /nfs/dbraw/zinc/12/93/82/250129382.db2.gz FUKLFKWPFVIJBX-INIZCTEOSA-N 2 2 355.479 0.585 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH+](C)[C@H]2CCSC2)cn1 ZINC000472668114 250171845 /nfs/dbraw/zinc/17/18/45/250171845.db2.gz FOEWGOCZDOHUHP-JYJNAYRXSA-N 2 2 369.510 0.886 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH+](C)[C@H]2CCSC2)cn1 ZINC000472668114 250171847 /nfs/dbraw/zinc/17/18/47/250171847.db2.gz FOEWGOCZDOHUHP-JYJNAYRXSA-N 2 2 369.510 0.886 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000472668114 250171851 /nfs/dbraw/zinc/17/18/51/250171851.db2.gz FOEWGOCZDOHUHP-JYJNAYRXSA-N 2 2 369.510 0.886 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)C[N@@H+](C)[C@H]2CCSC2)cn1 ZINC000472668114 250171853 /nfs/dbraw/zinc/17/18/53/250171853.db2.gz FOEWGOCZDOHUHP-JYJNAYRXSA-N 2 2 369.510 0.886 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000472985244 250191460 /nfs/dbraw/zinc/19/14/60/250191460.db2.gz FFZLCXNSYCJECU-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000472985244 250191463 /nfs/dbraw/zinc/19/14/63/250191463.db2.gz FFZLCXNSYCJECU-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP C[N@H+](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCSC1 ZINC000480646548 250275316 /nfs/dbraw/zinc/27/53/16/250275316.db2.gz KZOWLBDMHYOHAK-INIZCTEOSA-N 2 2 368.547 0.436 20 0 FCADLP C[N@@H+](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCSC1 ZINC000480646548 250275320 /nfs/dbraw/zinc/27/53/20/250275320.db2.gz KZOWLBDMHYOHAK-INIZCTEOSA-N 2 2 368.547 0.436 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000480879967 250290164 /nfs/dbraw/zinc/29/01/64/250290164.db2.gz LREBMAIVJLBXCP-CHWSQXEVSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000480879967 250290168 /nfs/dbraw/zinc/29/01/68/250290168.db2.gz LREBMAIVJLBXCP-CHWSQXEVSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000480905561 250294499 /nfs/dbraw/zinc/29/44/99/250294499.db2.gz YZRCEHHJOIJBFI-UONOGXRCSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000480905561 250294502 /nfs/dbraw/zinc/29/45/02/250294502.db2.gz YZRCEHHJOIJBFI-UONOGXRCSA-N 2 2 357.524 0.775 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000480970038 250304841 /nfs/dbraw/zinc/30/48/41/250304841.db2.gz IHGHZGPBOHQPFR-VVLHAWIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000480970038 250304844 /nfs/dbraw/zinc/30/48/44/250304844.db2.gz IHGHZGPBOHQPFR-VVLHAWIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000480970038 250304846 /nfs/dbraw/zinc/30/48/46/250304846.db2.gz IHGHZGPBOHQPFR-VVLHAWIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000480970038 250304849 /nfs/dbraw/zinc/30/48/49/250304849.db2.gz IHGHZGPBOHQPFR-VVLHAWIVSA-N 2 2 368.522 0.306 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481097954 250315128 /nfs/dbraw/zinc/31/51/28/250315128.db2.gz BAZICNFNVWFNEQ-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481097954 250315131 /nfs/dbraw/zinc/31/51/31/250315131.db2.gz BAZICNFNVWFNEQ-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481097956 250315565 /nfs/dbraw/zinc/31/55/65/250315565.db2.gz BAZICNFNVWFNEQ-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481097956 250315567 /nfs/dbraw/zinc/31/55/67/250315567.db2.gz BAZICNFNVWFNEQ-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)nn1 ZINC000269665692 211039036 /nfs/dbraw/zinc/03/90/36/211039036.db2.gz VPRPNPPDPUINGR-UHFFFAOYSA-N 2 2 366.491 0.493 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413507542 533009369 /nfs/dbraw/zinc/00/93/69/533009369.db2.gz WOPFXQVYXIPQTB-RBSFLKMASA-N 2 2 363.462 0.225 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413507542 533009374 /nfs/dbraw/zinc/00/93/74/533009374.db2.gz WOPFXQVYXIPQTB-RBSFLKMASA-N 2 2 363.462 0.225 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499665 533008470 /nfs/dbraw/zinc/00/84/70/533008470.db2.gz NRBKIMCHWCCWCN-CABCVRRESA-N 2 2 363.462 0.369 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499665 533008474 /nfs/dbraw/zinc/00/84/74/533008474.db2.gz NRBKIMCHWCCWCN-CABCVRRESA-N 2 2 363.462 0.369 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074134176 208053283 /nfs/dbraw/zinc/05/32/83/208053283.db2.gz PRIGUPYJULRLOC-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069029230 208029573 /nfs/dbraw/zinc/02/95/73/208029573.db2.gz BEMIMYVOUSVLSR-UHFFFAOYSA-N 2 2 360.458 0.768 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000069383008 208034174 /nfs/dbraw/zinc/03/41/74/208034174.db2.gz PWYSDFKJJDPPBH-OAHLLOKOSA-N 2 2 365.478 0.734 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804572 208035151 /nfs/dbraw/zinc/03/51/51/208035151.db2.gz QWWLETQQBZVZAY-HZPDHXFCSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804572 208035157 /nfs/dbraw/zinc/03/51/57/208035157.db2.gz QWWLETQQBZVZAY-HZPDHXFCSA-N 2 2 366.506 0.143 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000072961354 208043669 /nfs/dbraw/zinc/04/36/69/208043669.db2.gz GFQMAMYGHNHUSL-KRWDZBQOSA-N 2 2 360.458 0.150 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000072961354 208043673 /nfs/dbraw/zinc/04/36/73/208043673.db2.gz GFQMAMYGHNHUSL-KRWDZBQOSA-N 2 2 360.458 0.150 20 0 FCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000081482314 208100836 /nfs/dbraw/zinc/10/08/36/208100836.db2.gz AFNBUEDHEFVIQV-GOSISDBHSA-N 2 2 362.474 0.582 20 0 FCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000081482314 208100841 /nfs/dbraw/zinc/10/08/41/208100841.db2.gz AFNBUEDHEFVIQV-GOSISDBHSA-N 2 2 362.474 0.582 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000081482314 208100850 /nfs/dbraw/zinc/10/08/50/208100850.db2.gz AFNBUEDHEFVIQV-GOSISDBHSA-N 2 2 362.474 0.582 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000081482314 208100853 /nfs/dbraw/zinc/10/08/53/208100853.db2.gz AFNBUEDHEFVIQV-GOSISDBHSA-N 2 2 362.474 0.582 20 0 FCADLP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000081556039 208101126 /nfs/dbraw/zinc/10/11/26/208101126.db2.gz COFINGUUXSVPGZ-KRWDZBQOSA-N 2 2 360.502 0.953 20 0 FCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000081556039 208101132 /nfs/dbraw/zinc/10/11/32/208101132.db2.gz COFINGUUXSVPGZ-KRWDZBQOSA-N 2 2 360.502 0.953 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074655324 208056763 /nfs/dbraw/zinc/05/67/63/208056763.db2.gz CPKPGCYITRSZRX-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077121966 208069935 /nfs/dbraw/zinc/06/99/35/208069935.db2.gz YYVCMPOHPDHWFD-UHFFFAOYSA-N 2 2 353.448 0.803 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077594366 208072700 /nfs/dbraw/zinc/07/27/00/208072700.db2.gz MIVLHZAKULHGTJ-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000083692769 208108271 /nfs/dbraw/zinc/10/82/71/208108271.db2.gz CJOPNBWKNLGNCO-MSOLQXFVSA-N 2 2 364.490 0.624 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091593943 208139152 /nfs/dbraw/zinc/13/91/52/208139152.db2.gz SMKIGMYHLUQWQW-GFCCVEGCSA-N 2 2 350.385 0.293 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091593943 208139158 /nfs/dbraw/zinc/13/91/58/208139158.db2.gz SMKIGMYHLUQWQW-GFCCVEGCSA-N 2 2 350.385 0.293 20 0 FCADLP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000101636560 208166432 /nfs/dbraw/zinc/16/64/32/208166432.db2.gz SQACYBBJFNSWIS-HKUYNNGSSA-N 2 2 360.502 0.812 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000102791762 208171717 /nfs/dbraw/zinc/17/17/17/208171717.db2.gz RSJVUTJPHHJZEC-QGZVFWFLSA-N 2 2 360.502 0.975 20 0 FCADLP CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092707092 208147560 /nfs/dbraw/zinc/14/75/60/208147560.db2.gz NQRHXMJOGCMSHB-QGZVFWFLSA-N 2 2 360.506 0.965 20 0 FCADLP CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092707092 208147565 /nfs/dbraw/zinc/14/75/65/208147565.db2.gz NQRHXMJOGCMSHB-QGZVFWFLSA-N 2 2 360.506 0.965 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000106079419 208206209 /nfs/dbraw/zinc/20/62/09/208206209.db2.gz JSPQAQXLSNHOOT-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000106079419 208206217 /nfs/dbraw/zinc/20/62/17/208206217.db2.gz JSPQAQXLSNHOOT-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(N)nc(N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000103481211 208178940 /nfs/dbraw/zinc/17/89/40/208178940.db2.gz SQFSEUALOFOXIO-ZIAGYGMSSA-N 2 2 363.510 0.841 20 0 FCADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(N)nc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000103481208 208179068 /nfs/dbraw/zinc/17/90/68/208179068.db2.gz SQFSEUALOFOXIO-KBPBESRZSA-N 2 2 363.510 0.841 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000105140275 208193523 /nfs/dbraw/zinc/19/35/23/208193523.db2.gz ZDECXFSHZSGZAI-UHFFFAOYSA-N 2 2 361.490 0.953 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000105140275 208193532 /nfs/dbraw/zinc/19/35/32/208193532.db2.gz ZDECXFSHZSGZAI-UHFFFAOYSA-N 2 2 361.490 0.953 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000105319852 208197814 /nfs/dbraw/zinc/19/78/14/208197814.db2.gz XEURHWVUFLHQBQ-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000105319852 208197819 /nfs/dbraw/zinc/19/78/19/208197819.db2.gz XEURHWVUFLHQBQ-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000106122173 208211073 /nfs/dbraw/zinc/21/10/73/208211073.db2.gz XQMWRWDUVGTBQX-MOPGFXCFSA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000106122173 208211080 /nfs/dbraw/zinc/21/10/80/208211080.db2.gz XQMWRWDUVGTBQX-MOPGFXCFSA-N 2 2 360.502 0.940 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371942 208244290 /nfs/dbraw/zinc/24/42/90/208244290.db2.gz ZXOAUDJAISPBAE-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371942 208244296 /nfs/dbraw/zinc/24/42/96/208244296.db2.gz ZXOAUDJAISPBAE-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCCOCCC(C)C)C2)CC1 ZINC000107370386 208244316 /nfs/dbraw/zinc/24/43/16/208244316.db2.gz NMKJWAIBLAARCW-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCCOCCC(C)C)C2)CC1 ZINC000107370386 208244323 /nfs/dbraw/zinc/24/43/23/208244323.db2.gz NMKJWAIBLAARCW-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000106400009 208223030 /nfs/dbraw/zinc/22/30/30/208223030.db2.gz NZXXBQPRJMRILJ-UHFFFAOYSA-N 2 2 374.529 0.719 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000110195909 208265715 /nfs/dbraw/zinc/26/57/15/208265715.db2.gz CRHQHMKFQUBGGY-CQSZACIVSA-N 2 2 362.478 0.308 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000110195909 208265720 /nfs/dbraw/zinc/26/57/20/208265720.db2.gz CRHQHMKFQUBGGY-CQSZACIVSA-N 2 2 362.478 0.308 20 0 FCADLP Cc1nc(CN2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000114465447 208313424 /nfs/dbraw/zinc/31/34/24/208313424.db2.gz FYGSQZFZSWNMIS-UHFFFAOYSA-N 2 2 364.494 0.485 20 0 FCADLP CS[C@@H](CO)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000119871689 208371453 /nfs/dbraw/zinc/37/14/53/208371453.db2.gz XWZXDJHRLRMANV-BBRMVZONSA-N 2 2 358.552 0.957 20 0 FCADLP CN(CC[N@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O)C1CC[NH+](C)CC1 ZINC000120248767 208375538 /nfs/dbraw/zinc/37/55/38/208375538.db2.gz HNWYQPZRTJNGKX-QGZVFWFLSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O)C1CC[NH+](C)CC1 ZINC000120248767 208375543 /nfs/dbraw/zinc/37/55/43/208375543.db2.gz HNWYQPZRTJNGKX-QGZVFWFLSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120248767 208375548 /nfs/dbraw/zinc/37/55/48/208375548.db2.gz HNWYQPZRTJNGKX-QGZVFWFLSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120248767 208375554 /nfs/dbraw/zinc/37/55/54/208375554.db2.gz HNWYQPZRTJNGKX-QGZVFWFLSA-N 2 2 362.522 0.873 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C[NH+]1CCOCC1 ZINC000120923590 208394430 /nfs/dbraw/zinc/39/44/30/208394430.db2.gz JZLKRSGZSOCWDM-CQSZACIVSA-N 2 2 360.458 0.655 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C[NH+]1CCOCC1 ZINC000120923590 208394434 /nfs/dbraw/zinc/39/44/34/208394434.db2.gz JZLKRSGZSOCWDM-CQSZACIVSA-N 2 2 360.458 0.655 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748256 210396432 /nfs/dbraw/zinc/39/64/32/210396432.db2.gz BOEUGRLESNGRSP-ZBFHGGJFSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748256 210396435 /nfs/dbraw/zinc/39/64/35/210396435.db2.gz BOEUGRLESNGRSP-ZBFHGGJFSA-N 2 2 354.520 0.833 20 0 FCADLP COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000412109678 533115570 /nfs/dbraw/zinc/11/55/70/533115570.db2.gz ULNLWGOFDNYYJE-SFHVURJKSA-N 2 2 355.479 0.489 20 0 FCADLP COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000412109678 533115576 /nfs/dbraw/zinc/11/55/76/533115576.db2.gz ULNLWGOFDNYYJE-SFHVURJKSA-N 2 2 355.479 0.489 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176383230 209002840 /nfs/dbraw/zinc/00/28/40/209002840.db2.gz GCPAVNVVJAHMCC-UHFFFAOYSA-N 3 2 369.554 0.813 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176383230 209002844 /nfs/dbraw/zinc/00/28/44/209002844.db2.gz GCPAVNVVJAHMCC-UHFFFAOYSA-N 3 2 369.554 0.813 20 0 FCADLP CN1C(=O)c2ccc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc2C1=O ZINC000177118072 209016661 /nfs/dbraw/zinc/01/66/61/209016661.db2.gz JZBSWJPQGBAUGY-UHFFFAOYSA-N 2 2 358.442 0.668 20 0 FCADLP C[C@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000177120739 209016765 /nfs/dbraw/zinc/01/67/65/209016765.db2.gz CYKYGHLBFKPSEO-OAHLLOKOSA-N 2 2 374.485 0.943 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000177136784 209018282 /nfs/dbraw/zinc/01/82/82/209018282.db2.gz LIHOWKCOTSFVQL-RHSMWYFYSA-N 2 2 354.520 0.583 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178248001 209046204 /nfs/dbraw/zinc/04/62/04/209046204.db2.gz RPYNDAAKINZWHT-GDBMZVCRSA-N 2 2 360.458 0.826 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CCC[NH2+]C)c2)CC1 ZINC000178660722 209057059 /nfs/dbraw/zinc/05/70/59/209057059.db2.gz HZMLZLPJFVNJPR-UHFFFAOYSA-N 2 2 368.503 0.951 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000178804024 209062286 /nfs/dbraw/zinc/06/22/86/209062286.db2.gz QTXPLIIRMLWQKX-DOTOQJQBSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179424163 209080592 /nfs/dbraw/zinc/08/05/92/209080592.db2.gz MWHBNQLIQXFTKY-SJLPKXTDSA-N 2 2 374.485 0.926 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000163343296 229201739 /nfs/dbraw/zinc/20/17/39/229201739.db2.gz VSZSFCKLVFMTPI-AWEZNQCLSA-N 2 2 366.491 0.387 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000163343296 229201741 /nfs/dbraw/zinc/20/17/41/229201741.db2.gz VSZSFCKLVFMTPI-AWEZNQCLSA-N 2 2 366.491 0.387 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000175791025 229214597 /nfs/dbraw/zinc/21/45/97/229214597.db2.gz SOJLGWWIUHXJBP-JKSUJKDBSA-N 2 2 358.527 0.687 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000175791077 229214725 /nfs/dbraw/zinc/21/47/25/229214725.db2.gz SOJLGWWIUHXJBP-CVEARBPZSA-N 2 2 358.527 0.687 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000410474957 230093912 /nfs/dbraw/zinc/09/39/12/230093912.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 3 2 367.538 0.023 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000410474957 230093915 /nfs/dbraw/zinc/09/39/15/230093915.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 3 2 367.538 0.023 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410474957 230093918 /nfs/dbraw/zinc/09/39/18/230093918.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 3 2 367.538 0.023 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410474957 230093921 /nfs/dbraw/zinc/09/39/21/230093921.db2.gz LWVBSEATDLSGEH-INIZCTEOSA-N 3 2 367.538 0.023 20 0 FCADLP CCc1noc(COCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000932711522 674213446 /nfs/dbraw/zinc/21/34/46/674213446.db2.gz BTVMPGBDGLTGEN-UHFFFAOYSA-N 2 2 353.467 0.633 20 0 FCADLP CCc1noc(COCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000932711522 674213451 /nfs/dbraw/zinc/21/34/51/674213451.db2.gz BTVMPGBDGLTGEN-UHFFFAOYSA-N 2 2 353.467 0.633 20 0 FCADLP C[C@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000363673642 488872122 /nfs/dbraw/zinc/87/21/22/488872122.db2.gz RTSRQTKXMSPBIO-KZNAEPCWSA-N 2 2 366.550 0.970 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC000363763582 488882880 /nfs/dbraw/zinc/88/28/80/488882880.db2.gz ZPVTWISFWZNETB-UAGQMJEPSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC000363763582 488882881 /nfs/dbraw/zinc/88/28/81/488882881.db2.gz ZPVTWISFWZNETB-UAGQMJEPSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)C1 ZINC000302038009 488886802 /nfs/dbraw/zinc/88/68/02/488886802.db2.gz QFLIDQAJEQPPDB-GASCZTMLSA-N 2 2 359.474 0.807 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000302876280 488892118 /nfs/dbraw/zinc/89/21/18/488892118.db2.gz FNDRFIWILXYLFH-UHFFFAOYSA-N 2 2 360.462 0.058 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302876280 488892122 /nfs/dbraw/zinc/89/21/22/488892122.db2.gz FNDRFIWILXYLFH-UHFFFAOYSA-N 2 2 360.462 0.058 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363858929 488893391 /nfs/dbraw/zinc/89/33/91/488893391.db2.gz MWKYCEUFNRSLHN-QGZVFWFLSA-N 2 2 372.473 0.540 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000363858929 488893392 /nfs/dbraw/zinc/89/33/92/488893392.db2.gz MWKYCEUFNRSLHN-QGZVFWFLSA-N 2 2 372.473 0.540 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870795 488895045 /nfs/dbraw/zinc/89/50/45/488895045.db2.gz XNOQWBITCNQNJI-UONOGXRCSA-N 2 2 363.510 0.816 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870795 488895046 /nfs/dbraw/zinc/89/50/46/488895046.db2.gz XNOQWBITCNQNJI-UONOGXRCSA-N 2 2 363.510 0.816 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870791 488895071 /nfs/dbraw/zinc/89/50/71/488895071.db2.gz XNOQWBITCNQNJI-KBPBESRZSA-N 2 2 363.510 0.816 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870791 488895074 /nfs/dbraw/zinc/89/50/74/488895074.db2.gz XNOQWBITCNQNJI-KBPBESRZSA-N 2 2 363.510 0.816 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cn1 ZINC000319209465 488898626 /nfs/dbraw/zinc/89/86/26/488898626.db2.gz RGEIHFOLNGFHJO-ZDUSSCGKSA-N 2 2 368.279 0.762 20 0 FCADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cn1 ZINC000319209465 488898627 /nfs/dbraw/zinc/89/86/27/488898627.db2.gz RGEIHFOLNGFHJO-ZDUSSCGKSA-N 2 2 368.279 0.762 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258120 488909254 /nfs/dbraw/zinc/90/92/54/488909254.db2.gz MVGQLAFQOYCZRL-OLZOCXBDSA-N 2 2 351.476 0.662 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258120 488909256 /nfs/dbraw/zinc/90/92/56/488909256.db2.gz MVGQLAFQOYCZRL-OLZOCXBDSA-N 2 2 351.476 0.662 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258123 488909521 /nfs/dbraw/zinc/90/95/21/488909521.db2.gz MVGQLAFQOYCZRL-QWHCGFSZSA-N 2 2 351.476 0.662 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258123 488909523 /nfs/dbraw/zinc/90/95/23/488909523.db2.gz MVGQLAFQOYCZRL-QWHCGFSZSA-N 2 2 351.476 0.662 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278945499 488906782 /nfs/dbraw/zinc/90/67/82/488906782.db2.gz GOUYTMNTFPIWIS-LSDHHAIUSA-N 2 2 374.489 0.255 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287804700 488908182 /nfs/dbraw/zinc/90/81/82/488908182.db2.gz JLZNGDCVHRPUKD-CYBMUJFWSA-N 2 2 350.467 0.093 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287804700 488908185 /nfs/dbraw/zinc/90/81/85/488908185.db2.gz JLZNGDCVHRPUKD-CYBMUJFWSA-N 2 2 350.467 0.093 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000562804295 491190609 /nfs/dbraw/zinc/19/06/09/491190609.db2.gz CCFYWIRUGCNGAZ-INIZCTEOSA-N 2 2 351.495 0.324 20 0 FCADLP CCc1nc(C[NH+]2CCC(CNC(=O)CNC(=O)C[NH3+])CC2)cs1 ZINC000364238959 488939301 /nfs/dbraw/zinc/93/93/01/488939301.db2.gz BSUJYJDLRPWLFT-UHFFFAOYSA-N 2 2 353.492 0.109 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000279407258 488939960 /nfs/dbraw/zinc/93/99/60/488939960.db2.gz IDBYJJMSLCEKTK-HNNXBMFYSA-N 2 2 362.474 0.866 20 0 FCADLP CN(C(=O)NCCNC(=O)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364283973 488943845 /nfs/dbraw/zinc/94/38/45/488943845.db2.gz UCKBYIJNDBYWEO-MRXNPFEDSA-N 2 2 351.495 0.323 20 0 FCADLP CN(C(=O)NCCNC(=O)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364283973 488943846 /nfs/dbraw/zinc/94/38/46/488943846.db2.gz UCKBYIJNDBYWEO-MRXNPFEDSA-N 2 2 351.495 0.323 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCN(C4CCOCC4)C3=O)CC2)c1 ZINC000364320386 488947038 /nfs/dbraw/zinc/94/70/38/488947038.db2.gz QGEROBCPSCCZEZ-QGZVFWFLSA-N 2 2 360.458 0.992 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288216843 488957639 /nfs/dbraw/zinc/95/76/39/488957639.db2.gz QQIKNRWJWQOZDF-AWEZNQCLSA-N 2 2 351.451 0.200 20 0 FCADLP CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000042134019 487858541 /nfs/dbraw/zinc/85/85/41/487858541.db2.gz JHNCAJPELDLETP-HNNXBMFYSA-N 2 2 374.551 0.333 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000045101196 487930420 /nfs/dbraw/zinc/93/04/20/487930420.db2.gz QRUGBAPDAKPTLS-UHFFFAOYSA-N 2 2 372.473 0.808 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000045490902 487941800 /nfs/dbraw/zinc/94/18/00/487941800.db2.gz TUMGDJMJFDCHJQ-UHFFFAOYSA-N 2 2 374.489 0.645 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000047597643 488038119 /nfs/dbraw/zinc/03/81/19/488038119.db2.gz OWDJGVYJXAWGBI-UHFFFAOYSA-N 2 2 372.477 0.575 20 0 FCADLP Cc1occc1C(=O)NCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051463909 488134652 /nfs/dbraw/zinc/13/46/52/488134652.db2.gz ITZVSCIUSLFGJP-UHFFFAOYSA-N 2 2 362.474 0.993 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000051762504 488144135 /nfs/dbraw/zinc/14/41/35/488144135.db2.gz HWOOUAYNTHYLTO-MRXNPFEDSA-N 2 2 353.438 0.409 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762791 488145139 /nfs/dbraw/zinc/14/51/39/488145139.db2.gz UPJSYNFVKGFGOB-INIZCTEOSA-N 2 2 358.486 0.666 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119607 488971428 /nfs/dbraw/zinc/97/14/28/488971428.db2.gz VLFPNEGPQSECNB-JKSUJKDBSA-N 2 2 362.478 0.916 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119607 488971432 /nfs/dbraw/zinc/97/14/32/488971432.db2.gz VLFPNEGPQSECNB-JKSUJKDBSA-N 2 2 362.478 0.916 20 0 FCADLP CC[NH+](CC)CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057464712 488272303 /nfs/dbraw/zinc/27/23/03/488272303.db2.gz JZLJQMPIAYBIKZ-UHFFFAOYSA-N 2 2 363.510 0.630 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCn3cc[nH+]c3)c2)CC1 ZINC000067324722 488348109 /nfs/dbraw/zinc/34/81/09/488348109.db2.gz MYTSOTMFGHKDJM-UHFFFAOYSA-N 2 2 370.457 0.385 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000067413058 488350528 /nfs/dbraw/zinc/35/05/28/488350528.db2.gz WGRHJJBMKPYQME-QGZVFWFLSA-N 2 2 362.474 0.772 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000067413058 488350529 /nfs/dbraw/zinc/35/05/29/488350529.db2.gz WGRHJJBMKPYQME-QGZVFWFLSA-N 2 2 362.474 0.772 20 0 FCADLP O=C(CN1CC[NH+](CCO)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000071805259 488377512 /nfs/dbraw/zinc/37/75/12/488377512.db2.gz HWWLLEUTKWRJDF-UHFFFAOYSA-N 2 2 352.504 0.002 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073589512 488384915 /nfs/dbraw/zinc/38/49/15/488384915.db2.gz FJDFKVRDFXDZKI-MSOLQXFVSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C[NH+]1CCCC1 ZINC000073773819 488386269 /nfs/dbraw/zinc/38/62/69/488386269.db2.gz CYKPQEMKZRUDNC-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000554335193 491194884 /nfs/dbraw/zinc/19/48/84/491194884.db2.gz FPTGIUQWPOJLSJ-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000554335193 491194886 /nfs/dbraw/zinc/19/48/86/491194886.db2.gz FPTGIUQWPOJLSJ-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335193 491194889 /nfs/dbraw/zinc/19/48/89/491194889.db2.gz FPTGIUQWPOJLSJ-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335193 491194891 /nfs/dbraw/zinc/19/48/91/491194891.db2.gz FPTGIUQWPOJLSJ-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000554335190 491195132 /nfs/dbraw/zinc/19/51/32/491195132.db2.gz FPTGIUQWPOJLSJ-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000554335190 491195135 /nfs/dbraw/zinc/19/51/35/491195135.db2.gz FPTGIUQWPOJLSJ-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335190 491195138 /nfs/dbraw/zinc/19/51/38/491195138.db2.gz FPTGIUQWPOJLSJ-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335190 491195139 /nfs/dbraw/zinc/19/51/39/491195139.db2.gz FPTGIUQWPOJLSJ-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000186597306 488407067 /nfs/dbraw/zinc/40/70/67/488407067.db2.gz LKCZYDQAXQYPQZ-UHFFFAOYSA-N 2 2 373.523 0.062 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000187104646 488408715 /nfs/dbraw/zinc/40/87/15/488408715.db2.gz MKIQAEUNLRLYOY-UHFFFAOYSA-N 2 2 359.474 0.541 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000077760620 488417083 /nfs/dbraw/zinc/41/70/83/488417083.db2.gz KFGFIMMBWBAZJD-UHFFFAOYSA-N 3 2 356.559 0.147 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000077776716 488417787 /nfs/dbraw/zinc/41/77/87/488417787.db2.gz AXQUJFIQIQFRRL-UHFFFAOYSA-N 3 2 350.511 0.897 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000191517762 488420283 /nfs/dbraw/zinc/42/02/83/488420283.db2.gz GHNLHXWWSNTJHR-HUUCEWRRSA-N 2 2 370.519 0.849 20 0 FCADLP CNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000193348646 488426654 /nfs/dbraw/zinc/42/66/54/488426654.db2.gz COAMHYYOMXNONC-OAHLLOKOSA-N 2 2 359.474 0.577 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080114201 488433994 /nfs/dbraw/zinc/43/39/94/488433994.db2.gz ZGTKHHJMZKVLEZ-UHFFFAOYSA-N 2 2 364.494 0.846 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000268685841 488442023 /nfs/dbraw/zinc/44/20/23/488442023.db2.gz QMMXQZRURKCDPK-UHFFFAOYSA-N 2 2 356.430 0.503 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083002422 488446516 /nfs/dbraw/zinc/44/65/16/488446516.db2.gz MZOOJNIYHHXXJV-FUHWJXTLSA-N 2 2 353.507 0.793 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083002422 488446518 /nfs/dbraw/zinc/44/65/18/488446518.db2.gz MZOOJNIYHHXXJV-FUHWJXTLSA-N 2 2 353.507 0.793 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083002419 488446632 /nfs/dbraw/zinc/44/66/32/488446632.db2.gz MZOOJNIYHHXXJV-SJLPKXTDSA-N 2 2 353.507 0.793 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083002419 488446635 /nfs/dbraw/zinc/44/66/35/488446635.db2.gz MZOOJNIYHHXXJV-SJLPKXTDSA-N 2 2 353.507 0.793 20 0 FCADLP CC1CC[NH+](CCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000083696117 488448163 /nfs/dbraw/zinc/44/81/63/488448163.db2.gz RZELICINNBTOCZ-QGZVFWFLSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000083712524 488448847 /nfs/dbraw/zinc/44/88/47/488448847.db2.gz RWNOOPJPOZANOX-IAGOWNOFSA-N 2 2 356.511 0.443 20 0 FCADLP CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236899645 488453660 /nfs/dbraw/zinc/45/36/60/488453660.db2.gz BDGGLTAQAJTVQR-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236899645 488453662 /nfs/dbraw/zinc/45/36/62/488453662.db2.gz BDGGLTAQAJTVQR-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000087136779 488454112 /nfs/dbraw/zinc/45/41/12/488454112.db2.gz GRWMZROFKHCUMH-IRXDYDNUSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000087136779 488454114 /nfs/dbraw/zinc/45/41/14/488454114.db2.gz GRWMZROFKHCUMH-IRXDYDNUSA-N 2 2 365.522 0.666 20 0 FCADLP C[NH+]1CCC(CNC(=O)C[NH2+]C[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000237158974 488454418 /nfs/dbraw/zinc/45/44/18/488454418.db2.gz CTSCUWSWMRJHKY-QGZVFWFLSA-N 3 2 352.523 0.822 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1cccs1 ZINC000237123620 488454546 /nfs/dbraw/zinc/45/45/46/488454546.db2.gz APGOFROQDPFLPT-CXAGYDPISA-N 2 2 350.488 0.679 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1cccs1 ZINC000237123620 488454549 /nfs/dbraw/zinc/45/45/49/488454549.db2.gz APGOFROQDPFLPT-CXAGYDPISA-N 2 2 350.488 0.679 20 0 FCADLP COc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2=O)[NH+]2CCCCC2)cc1 ZINC000237487037 488455593 /nfs/dbraw/zinc/45/55/93/488455593.db2.gz GHROGGWEHOXGGV-GOSISDBHSA-N 2 2 374.485 0.770 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237735731 488456681 /nfs/dbraw/zinc/45/66/81/488456681.db2.gz NKFDIDPNZGFCGP-OAHLLOKOSA-N 2 2 365.441 0.754 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)[nH+]1 ZINC000268974679 488460129 /nfs/dbraw/zinc/46/01/29/488460129.db2.gz AKMSHABCNXMRNU-INIZCTEOSA-N 2 2 373.457 0.402 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)[nH+]1 ZINC000268974679 488460132 /nfs/dbraw/zinc/46/01/32/488460132.db2.gz AKMSHABCNXMRNU-INIZCTEOSA-N 2 2 373.457 0.402 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000246101090 488469509 /nfs/dbraw/zinc/46/95/09/488469509.db2.gz ILOXYNXWQMVCTL-ZHALLVOQSA-N 2 2 370.538 0.831 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246445234 488472746 /nfs/dbraw/zinc/47/27/46/488472746.db2.gz UJCVBHTUAMTGRM-QZTJIDSGSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246445234 488472749 /nfs/dbraw/zinc/47/27/49/488472749.db2.gz UJCVBHTUAMTGRM-QZTJIDSGSA-N 3 2 369.554 0.765 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000246507954 488473488 /nfs/dbraw/zinc/47/34/88/488473488.db2.gz ZQCRXYANKYSLMJ-DLBZAZTESA-N 2 2 361.490 0.844 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1 ZINC000093178795 488478089 /nfs/dbraw/zinc/47/80/89/488478089.db2.gz UFCXBDSLRSGRIS-QGZVFWFLSA-N 2 2 358.486 0.902 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1 ZINC000093178795 488478092 /nfs/dbraw/zinc/47/80/92/488478092.db2.gz UFCXBDSLRSGRIS-QGZVFWFLSA-N 2 2 358.486 0.902 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000247058073 488481364 /nfs/dbraw/zinc/48/13/64/488481364.db2.gz ZQDNKNGFGUUPIB-YOEHRIQHSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000247058073 488481366 /nfs/dbraw/zinc/48/13/66/488481366.db2.gz ZQDNKNGFGUUPIB-YOEHRIQHSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000247058073 488481367 /nfs/dbraw/zinc/48/13/67/488481367.db2.gz ZQDNKNGFGUUPIB-YOEHRIQHSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000247058073 488481369 /nfs/dbraw/zinc/48/13/69/488481369.db2.gz ZQDNKNGFGUUPIB-YOEHRIQHSA-N 2 2 367.519 0.647 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000247741149 488489392 /nfs/dbraw/zinc/48/93/92/488489392.db2.gz NQJSEYBFHSNTAG-FGTMMUONSA-N 2 2 367.538 0.517 20 0 FCADLP O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000247799789 488489913 /nfs/dbraw/zinc/48/99/13/488489913.db2.gz UNQUUTCXABFVOR-UHFFFAOYSA-N 2 2 362.474 0.067 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000247932233 488491751 /nfs/dbraw/zinc/49/17/51/488491751.db2.gz CDKFSXFGZOOTSV-SJLPKXTDSA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000247932233 488491753 /nfs/dbraw/zinc/49/17/53/488491753.db2.gz CDKFSXFGZOOTSV-SJLPKXTDSA-N 2 2 365.449 0.804 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000097428541 488492710 /nfs/dbraw/zinc/49/27/10/488492710.db2.gz RANRBUPYMCBZNN-QGZVFWFLSA-N 2 2 365.522 0.810 20 0 FCADLP CC(C)(CNC(=O)CN1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000248172110 488494394 /nfs/dbraw/zinc/49/43/94/488494394.db2.gz SQCHLRQHRCRXDB-KRWDZBQOSA-N 2 2 368.522 0.010 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000569912389 491202670 /nfs/dbraw/zinc/20/26/70/491202670.db2.gz MOCAWBVGZAKAIW-AWEZNQCLSA-N 2 2 361.446 0.444 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n2c1 ZINC000269383025 488497810 /nfs/dbraw/zinc/49/78/10/488497810.db2.gz YNOAYEMFCJGGIA-JKSUJKDBSA-N 2 2 364.471 0.230 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248584460 488498568 /nfs/dbraw/zinc/49/85/68/488498568.db2.gz FYITVMSQIPTXBW-QAETUUGQSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248584460 488498569 /nfs/dbraw/zinc/49/85/69/488498569.db2.gz FYITVMSQIPTXBW-QAETUUGQSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248747472 488501571 /nfs/dbraw/zinc/50/15/71/488501571.db2.gz DTXXARQLQJZFHD-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248747472 488501572 /nfs/dbraw/zinc/50/15/72/488501572.db2.gz DTXXARQLQJZFHD-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000248717764 488501874 /nfs/dbraw/zinc/50/18/74/488501874.db2.gz NYBYNKNCDCJJKS-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000248717764 488501878 /nfs/dbraw/zinc/50/18/78/488501878.db2.gz NYBYNKNCDCJJKS-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248717764 488501879 /nfs/dbraw/zinc/50/18/79/488501879.db2.gz NYBYNKNCDCJJKS-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248717764 488501882 /nfs/dbraw/zinc/50/18/82/488501882.db2.gz NYBYNKNCDCJJKS-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000248750488 488502665 /nfs/dbraw/zinc/50/26/65/488502665.db2.gz GHNLHXWWSNTJHR-GJZGRUSLSA-N 2 2 370.519 0.849 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000248750488 488502668 /nfs/dbraw/zinc/50/26/68/488502668.db2.gz GHNLHXWWSNTJHR-GJZGRUSLSA-N 2 2 370.519 0.849 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000103859206 488503094 /nfs/dbraw/zinc/50/30/94/488503094.db2.gz XRFUIKXAEAKSIM-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000103859206 488503096 /nfs/dbraw/zinc/50/30/96/488503096.db2.gz XRFUIKXAEAKSIM-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105134954 488508125 /nfs/dbraw/zinc/50/81/25/488508125.db2.gz NOCKWYGXUKUSJA-ROUUACIJSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105134954 488508129 /nfs/dbraw/zinc/50/81/29/488508129.db2.gz NOCKWYGXUKUSJA-ROUUACIJSA-N 2 2 369.554 0.813 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000249394988 488509652 /nfs/dbraw/zinc/50/96/52/488509652.db2.gz ZPJVHEGRAPCXPX-SJORKVTESA-N 2 2 361.490 0.986 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000106461172 488515056 /nfs/dbraw/zinc/51/50/56/488515056.db2.gz ZEKWPUKPGLWTIH-SFHVURJKSA-N 2 2 361.490 0.823 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000252663730 488519357 /nfs/dbraw/zinc/51/93/57/488519357.db2.gz DPRLMFJJMKYJJW-WCVJEAGWSA-N 2 2 368.503 0.800 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000252663730 488519360 /nfs/dbraw/zinc/51/93/60/488519360.db2.gz DPRLMFJJMKYJJW-WCVJEAGWSA-N 2 2 368.503 0.800 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000109174428 488522223 /nfs/dbraw/zinc/52/22/23/488522223.db2.gz BTVYQKRTPRPKFF-GVDBMIGSSA-N 2 2 356.511 0.488 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2[nH+]1 ZINC000271585256 488528287 /nfs/dbraw/zinc/52/82/87/488528287.db2.gz CLTFTOVDEUEUJA-CQSZACIVSA-N 2 2 372.429 0.037 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)ccc2[nH+]1 ZINC000271585256 488528290 /nfs/dbraw/zinc/52/82/90/488528290.db2.gz CLTFTOVDEUEUJA-CQSZACIVSA-N 2 2 372.429 0.037 20 0 FCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000111240718 488528913 /nfs/dbraw/zinc/52/89/13/488528913.db2.gz IHAVEHLFCDUUCZ-UHFFFAOYSA-N 2 2 362.540 0.190 20 0 FCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000111240718 488528916 /nfs/dbraw/zinc/52/89/16/488528916.db2.gz IHAVEHLFCDUUCZ-UHFFFAOYSA-N 2 2 362.540 0.190 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726692 488533360 /nfs/dbraw/zinc/53/33/60/488533360.db2.gz NYNVODQJUKNCCQ-UGSOOPFHSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726692 488533361 /nfs/dbraw/zinc/53/33/61/488533361.db2.gz NYNVODQJUKNCCQ-UGSOOPFHSA-N 2 2 350.438 0.790 20 0 FCADLP CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)on1 ZINC000261750066 488533976 /nfs/dbraw/zinc/53/39/76/488533976.db2.gz USGWASUJCIWHEF-GFCCVEGCSA-N 2 2 351.451 0.698 20 0 FCADLP CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)on1 ZINC000261750066 488533978 /nfs/dbraw/zinc/53/39/78/488533978.db2.gz USGWASUJCIWHEF-GFCCVEGCSA-N 2 2 351.451 0.698 20 0 FCADLP CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)on1 ZINC000261750072 488534226 /nfs/dbraw/zinc/53/42/26/488534226.db2.gz USGWASUJCIWHEF-LBPRGKRZSA-N 2 2 351.451 0.698 20 0 FCADLP CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)on1 ZINC000261750072 488534229 /nfs/dbraw/zinc/53/42/29/488534229.db2.gz USGWASUJCIWHEF-LBPRGKRZSA-N 2 2 351.451 0.698 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000112745590 488536357 /nfs/dbraw/zinc/53/63/57/488536357.db2.gz JJMGBRRJTUFTPI-QGZVFWFLSA-N 2 2 356.536 0.932 20 0 FCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676368 488537600 /nfs/dbraw/zinc/53/76/00/488537600.db2.gz IUXVVCZDUWZODD-IUODEOHRSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676368 488537602 /nfs/dbraw/zinc/53/76/02/488537602.db2.gz IUXVVCZDUWZODD-IUODEOHRSA-N 2 2 354.476 0.324 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000113513690 488538337 /nfs/dbraw/zinc/53/83/37/488538337.db2.gz WMKUGTHUMDXWOJ-INIZCTEOSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000113513690 488538338 /nfs/dbraw/zinc/53/83/38/488538338.db2.gz WMKUGTHUMDXWOJ-INIZCTEOSA-N 2 2 352.523 0.975 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000271688644 488538582 /nfs/dbraw/zinc/53/85/82/488538582.db2.gz JWEYLSQLBJRGTN-QGZVFWFLSA-N 2 2 365.499 0.741 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114480108 488541038 /nfs/dbraw/zinc/54/10/38/488541038.db2.gz GMIRERYYAAYCKL-OAHLLOKOSA-N 2 2 362.474 0.976 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114480108 488541040 /nfs/dbraw/zinc/54/10/40/488541040.db2.gz GMIRERYYAAYCKL-OAHLLOKOSA-N 2 2 362.474 0.976 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](C)[NH3+])cc2)CC1 ZINC000261937623 488542746 /nfs/dbraw/zinc/54/27/46/488542746.db2.gz ZRRQLTVSPUNECB-OAHLLOKOSA-N 2 2 362.474 0.235 20 0 FCADLP COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000261940787 488543292 /nfs/dbraw/zinc/54/32/92/488543292.db2.gz MRLAJLGFRQMUJD-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP COCCN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000261940787 488543295 /nfs/dbraw/zinc/54/32/95/488543295.db2.gz MRLAJLGFRQMUJD-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000271742757 488543302 /nfs/dbraw/zinc/54/33/02/488543302.db2.gz VTHGMTFMYJJRNK-UHFFFAOYSA-N 2 2 357.462 0.909 20 0 FCADLP C[C@H]1CCC[C@](CNC(=O)N(CCO)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000119082182 488555458 /nfs/dbraw/zinc/55/54/58/488555458.db2.gz VTCJLYJGBCBIFW-HKUYNNGSSA-N 2 2 370.538 0.833 20 0 FCADLP CNC(=O)[C@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@@H]2C(=O)NC)COC1 ZINC000119466569 488557045 /nfs/dbraw/zinc/55/70/45/488557045.db2.gz FDEWPYHEJKKRIY-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP CNC(=O)[C@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@@H]2C(=O)NC)COC1 ZINC000119466569 488557046 /nfs/dbraw/zinc/55/70/46/488557046.db2.gz FDEWPYHEJKKRIY-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000262243752 488559324 /nfs/dbraw/zinc/55/93/24/488559324.db2.gz PGYYNHLMBAXIDS-CJNGLKHVSA-N 2 2 368.503 0.337 20 0 FCADLP C[NH2+][C@@H](C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cnn(C)c1 ZINC000262459833 488571564 /nfs/dbraw/zinc/57/15/64/488571564.db2.gz WXXQVOVAJUWEPF-QGZVFWFLSA-N 2 2 357.462 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC000122166736 488576325 /nfs/dbraw/zinc/57/63/25/488576325.db2.gz MTNXJYZDRVQMMW-CALCHBBNSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC000122166736 488576326 /nfs/dbraw/zinc/57/63/26/488576326.db2.gz MTNXJYZDRVQMMW-CALCHBBNSA-N 2 2 369.554 0.811 20 0 FCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262561287 488578082 /nfs/dbraw/zinc/57/80/82/488578082.db2.gz WJDCHJPKNPGRFI-HZPDHXFCSA-N 2 2 352.866 0.301 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262583792 488578715 /nfs/dbraw/zinc/57/87/15/488578715.db2.gz UXWAGOCJVFFBMU-IFXJQAMLSA-N 2 2 369.473 0.792 20 0 FCADLP [NH3+]CC(=O)NCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000262673654 488585475 /nfs/dbraw/zinc/58/54/75/488585475.db2.gz SFCJDVGXRAIEQF-UHFFFAOYSA-N 2 2 359.455 0.715 20 0 FCADLP [NH3+]CC(=O)NCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000262673654 488585476 /nfs/dbraw/zinc/58/54/76/488585476.db2.gz SFCJDVGXRAIEQF-UHFFFAOYSA-N 2 2 359.455 0.715 20 0 FCADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000262680818 488585804 /nfs/dbraw/zinc/58/58/04/488585804.db2.gz XBFAFFRROHYQBW-GOSISDBHSA-N 2 2 358.486 0.713 20 0 FCADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000262680818 488585806 /nfs/dbraw/zinc/58/58/06/488585806.db2.gz XBFAFFRROHYQBW-GOSISDBHSA-N 2 2 358.486 0.713 20 0 FCADLP C[C@@]1(O)CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000123831117 488587903 /nfs/dbraw/zinc/58/79/03/488587903.db2.gz YVJJROZYQLOIOK-GOSISDBHSA-N 2 2 353.507 0.985 20 0 FCADLP C[C@@]1(O)CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000123831117 488587905 /nfs/dbraw/zinc/58/79/05/488587905.db2.gz YVJJROZYQLOIOK-GOSISDBHSA-N 2 2 353.507 0.985 20 0 FCADLP CC[NH+]1CCN(CCC(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)CC1 ZINC000262725353 488588044 /nfs/dbraw/zinc/58/80/44/488588044.db2.gz GZVATFCOXHOKID-UHFFFAOYSA-N 2 2 357.462 0.897 20 0 FCADLP CC[NH+]1CCN(CCC(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)CC1 ZINC000262725353 488588047 /nfs/dbraw/zinc/58/80/47/488588047.db2.gz GZVATFCOXHOKID-UHFFFAOYSA-N 2 2 357.462 0.897 20 0 FCADLP CCN1CC[NH+](CCC(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)CC1 ZINC000262725353 488588048 /nfs/dbraw/zinc/58/80/48/488588048.db2.gz GZVATFCOXHOKID-UHFFFAOYSA-N 2 2 357.462 0.897 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262761676 488590838 /nfs/dbraw/zinc/59/08/38/488590838.db2.gz LLCTZRRQLACFAL-LSDHHAIUSA-N 2 2 363.462 0.517 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262761674 488591117 /nfs/dbraw/zinc/59/11/17/488591117.db2.gz LLCTZRRQLACFAL-GJZGRUSLSA-N 2 2 363.462 0.517 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2)CC1 ZINC000124477818 488593543 /nfs/dbraw/zinc/59/35/43/488593543.db2.gz RTWBTKPUVVDVHB-MOPGFXCFSA-N 2 2 358.486 0.589 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2)CC1 ZINC000124477818 488593547 /nfs/dbraw/zinc/59/35/47/488593547.db2.gz RTWBTKPUVVDVHB-MOPGFXCFSA-N 2 2 358.486 0.589 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)cc(OC)c1 ZINC000262802375 488594009 /nfs/dbraw/zinc/59/40/09/488594009.db2.gz RFEQHMUZXIQHEC-QGZVFWFLSA-N 2 2 351.447 0.712 20 0 FCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000263271442 488608506 /nfs/dbraw/zinc/60/85/06/488608506.db2.gz SFHOSKRVQUIRED-QFBILLFUSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000273099994 488631585 /nfs/dbraw/zinc/63/15/85/488631585.db2.gz PPSBZAGCWRKVOA-INIZCTEOSA-N 2 2 361.490 0.418 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000130479354 488637855 /nfs/dbraw/zinc/63/78/55/488637855.db2.gz UKZYRSOXRXBBDP-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000130479354 488637859 /nfs/dbraw/zinc/63/78/59/488637859.db2.gz UKZYRSOXRXBBDP-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000130644006 488639446 /nfs/dbraw/zinc/63/94/46/488639446.db2.gz XQPBSCVPNRZWIC-GOEBONIOSA-N 2 2 370.519 0.938 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000130644006 488639448 /nfs/dbraw/zinc/63/94/48/488639448.db2.gz XQPBSCVPNRZWIC-GOEBONIOSA-N 2 2 370.519 0.938 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000130838931 488641114 /nfs/dbraw/zinc/64/11/14/488641114.db2.gz BJIPCNCAEWHFLI-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000130838931 488641116 /nfs/dbraw/zinc/64/11/16/488641116.db2.gz BJIPCNCAEWHFLI-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000130838931 488641117 /nfs/dbraw/zinc/64/11/17/488641117.db2.gz BJIPCNCAEWHFLI-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000130838931 488641119 /nfs/dbraw/zinc/64/11/19/488641119.db2.gz BJIPCNCAEWHFLI-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000131290997 488644448 /nfs/dbraw/zinc/64/44/48/488644448.db2.gz YXFLSVYKCMPUKJ-HZPDHXFCSA-N 2 2 359.474 0.754 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000131869258 488649153 /nfs/dbraw/zinc/64/91/53/488649153.db2.gz XGHBQAAGBYDEEZ-SFHVURJKSA-N 2 2 359.430 0.454 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000132022291 488650115 /nfs/dbraw/zinc/65/01/15/488650115.db2.gz BOJDHJDXARYAGY-IRXDYDNUSA-N 2 2 360.568 0.806 20 0 FCADLP C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+]1CCSCC1 ZINC000133026656 488656480 /nfs/dbraw/zinc/65/64/80/488656480.db2.gz VDGJUXFPFBQRKB-INIZCTEOSA-N 2 2 368.547 0.580 20 0 FCADLP C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[NH+]1CCSCC1 ZINC000133026656 488656482 /nfs/dbraw/zinc/65/64/82/488656482.db2.gz VDGJUXFPFBQRKB-INIZCTEOSA-N 2 2 368.547 0.580 20 0 FCADLP C[N@H+](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCSC1 ZINC000133922164 488663310 /nfs/dbraw/zinc/66/33/10/488663310.db2.gz LRAXBXSZIKMRPJ-HNNXBMFYSA-N 2 2 353.492 0.591 20 0 FCADLP C[N@@H+](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCSC1 ZINC000133922164 488663312 /nfs/dbraw/zinc/66/33/12/488663312.db2.gz LRAXBXSZIKMRPJ-HNNXBMFYSA-N 2 2 353.492 0.591 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000570097024 491216057 /nfs/dbraw/zinc/21/60/57/491216057.db2.gz XUWYXOGCWFVZHP-NVXWUHKLSA-N 2 2 358.486 0.758 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000563110528 491216293 /nfs/dbraw/zinc/21/62/93/491216293.db2.gz GGTQBAMYSQHWJH-HZPDHXFCSA-N 2 2 359.474 0.706 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCN(c4ncc(F)cn4)CC3)cn2)CC1 ZINC000273785020 488671198 /nfs/dbraw/zinc/67/11/98/488671198.db2.gz UEIGQIHQSPUPBW-UHFFFAOYSA-N 2 2 372.452 0.480 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000273798091 488671387 /nfs/dbraw/zinc/67/13/87/488671387.db2.gz ZNJQKADZZZFEOI-AWEZNQCLSA-N 2 2 350.442 0.290 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1cncs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000135919267 488675814 /nfs/dbraw/zinc/67/58/14/488675814.db2.gz VPDJDHPIJXVXLB-UHFFFAOYSA-N 2 2 367.500 0.780 20 0 FCADLP c1nc(N2CCN(CC[NH+]3CCCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000151200300 488702779 /nfs/dbraw/zinc/70/27/79/488702779.db2.gz LUAJQZRQYBNXNM-UHFFFAOYSA-N 2 2 360.506 0.921 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000264739840 488705364 /nfs/dbraw/zinc/70/53/64/488705364.db2.gz OUOYGIMKLBDPTP-HNNXBMFYSA-N 2 2 351.520 0.651 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000264739840 488705367 /nfs/dbraw/zinc/70/53/67/488705367.db2.gz OUOYGIMKLBDPTP-HNNXBMFYSA-N 2 2 351.520 0.651 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000264739840 488705368 /nfs/dbraw/zinc/70/53/68/488705368.db2.gz OUOYGIMKLBDPTP-HNNXBMFYSA-N 2 2 351.520 0.651 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000151665971 488708307 /nfs/dbraw/zinc/70/83/07/488708307.db2.gz ZKJZWHFUHIIMJZ-HOTGVXAUSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000151665971 488708310 /nfs/dbraw/zinc/70/83/10/488708310.db2.gz ZKJZWHFUHIIMJZ-HOTGVXAUSA-N 2 2 359.536 0.875 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1S(N)(=O)=O ZINC000152357769 488716358 /nfs/dbraw/zinc/71/63/58/488716358.db2.gz FIVVOBQHLJFRRA-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1S(N)(=O)=O ZINC000152357769 488716361 /nfs/dbraw/zinc/71/63/61/488716361.db2.gz FIVVOBQHLJFRRA-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1S(N)(=O)=O ZINC000152357769 488716364 /nfs/dbraw/zinc/71/63/64/488716364.db2.gz FIVVOBQHLJFRRA-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1S(N)(=O)=O ZINC000152357769 488716367 /nfs/dbraw/zinc/71/63/67/488716367.db2.gz FIVVOBQHLJFRRA-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000266899686 488741694 /nfs/dbraw/zinc/74/16/94/488741694.db2.gz YUKYEBLQMWZBSL-SFHVURJKSA-N 2 2 363.458 0.344 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000266899686 488741695 /nfs/dbraw/zinc/74/16/95/488741695.db2.gz YUKYEBLQMWZBSL-SFHVURJKSA-N 2 2 363.458 0.344 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000266939470 488746194 /nfs/dbraw/zinc/74/61/94/488746194.db2.gz QPTXTSISZRTVNF-LBPRGKRZSA-N 2 2 374.445 0.973 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000266939470 488746196 /nfs/dbraw/zinc/74/61/96/488746196.db2.gz QPTXTSISZRTVNF-LBPRGKRZSA-N 2 2 374.445 0.973 20 0 FCADLP CSC[C@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000275030453 488754680 /nfs/dbraw/zinc/75/46/80/488754680.db2.gz PIFBTFBLZNNUHJ-CQSZACIVSA-N 2 2 353.492 0.159 20 0 FCADLP CSC[C@@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000275030450 488754735 /nfs/dbraw/zinc/75/47/35/488754735.db2.gz PIFBTFBLZNNUHJ-AWEZNQCLSA-N 2 2 353.492 0.159 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000156202023 488763139 /nfs/dbraw/zinc/76/31/39/488763139.db2.gz XGZNMHZZGWDAEH-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000275131586 488764904 /nfs/dbraw/zinc/76/49/04/488764904.db2.gz BWINTEYWDLQPRE-GOSISDBHSA-N 2 2 357.458 0.388 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000267208123 488769513 /nfs/dbraw/zinc/76/95/13/488769513.db2.gz FFGOCTMNBWNHHD-UHFFFAOYSA-N 2 2 357.458 0.539 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000157379610 488770722 /nfs/dbraw/zinc/77/07/22/488770722.db2.gz APSMOZCHVUYQKY-KRWDZBQOSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000267230490 488771297 /nfs/dbraw/zinc/77/12/97/488771297.db2.gz WIVJAYXDQBMCSY-CYBMUJFWSA-N 2 2 363.462 0.689 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000167839092 488812456 /nfs/dbraw/zinc/81/24/56/488812456.db2.gz VVXVBXGVBGADMC-DOTOQJQBSA-N 2 2 362.449 0.827 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000170694247 488815251 /nfs/dbraw/zinc/81/52/51/488815251.db2.gz CLJZFNGJCLVQJR-UHFFFAOYSA-N 2 2 368.522 0.596 20 0 FCADLP NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000170732173 488815711 /nfs/dbraw/zinc/81/57/11/488815711.db2.gz ZZHYMCXXXQJHHK-INIZCTEOSA-N 2 2 362.474 0.901 20 0 FCADLP NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000170732173 488815713 /nfs/dbraw/zinc/81/57/13/488815713.db2.gz ZZHYMCXXXQJHHK-INIZCTEOSA-N 2 2 362.474 0.901 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000171592844 488824282 /nfs/dbraw/zinc/82/42/82/488824282.db2.gz WJPBEUAWMPTDCX-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000171592844 488824284 /nfs/dbraw/zinc/82/42/84/488824284.db2.gz WJPBEUAWMPTDCX-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]1 ZINC000570190025 491223455 /nfs/dbraw/zinc/22/34/55/491223455.db2.gz ZFRNQKCSCWSILJ-DZGCQCFKSA-N 2 2 350.488 0.649 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000171977810 488829344 /nfs/dbraw/zinc/82/93/44/488829344.db2.gz SJGHDYUDXZFQKH-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000171977810 488829346 /nfs/dbraw/zinc/82/93/46/488829346.db2.gz SJGHDYUDXZFQKH-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171982231 488829480 /nfs/dbraw/zinc/82/94/80/488829480.db2.gz OLLUHVJVCLHSPD-GOSISDBHSA-N 2 2 354.539 0.879 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171982231 488829481 /nfs/dbraw/zinc/82/94/81/488829481.db2.gz OLLUHVJVCLHSPD-GOSISDBHSA-N 2 2 354.539 0.879 20 0 FCADLP Cc1[nH+]cn(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1C ZINC000171993157 488829658 /nfs/dbraw/zinc/82/96/58/488829658.db2.gz VRQOERGACZBYPB-UHFFFAOYSA-N 2 2 354.418 0.525 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000267969592 488831585 /nfs/dbraw/zinc/83/15/85/488831585.db2.gz UCIXZKLDGBYZDP-HNNXBMFYSA-N 2 2 362.478 0.530 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000172351784 488833507 /nfs/dbraw/zinc/83/35/07/488833507.db2.gz ICPWXHIZAYTIJB-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000172351784 488833508 /nfs/dbraw/zinc/83/35/08/488833508.db2.gz ICPWXHIZAYTIJB-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]1CO)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000172399357 488833700 /nfs/dbraw/zinc/83/37/00/488833700.db2.gz QENZRRIKLLUHLI-SFHVURJKSA-N 2 2 359.470 0.722 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]1CO)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000172399357 488833702 /nfs/dbraw/zinc/83/37/02/488833702.db2.gz QENZRRIKLLUHLI-SFHVURJKSA-N 2 2 359.470 0.722 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173290814 488842045 /nfs/dbraw/zinc/84/20/45/488842045.db2.gz DVLJLDIRIILKPJ-UHFFFAOYSA-N 2 2 354.495 0.605 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000173605072 488843816 /nfs/dbraw/zinc/84/38/16/488843816.db2.gz OHDQRXMXFISKBF-GOSISDBHSA-N 2 2 372.517 0.933 20 0 FCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000173605072 488843817 /nfs/dbraw/zinc/84/38/17/488843817.db2.gz OHDQRXMXFISKBF-GOSISDBHSA-N 2 2 372.517 0.933 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173604606 488843890 /nfs/dbraw/zinc/84/38/90/488843890.db2.gz LGBWEXPZFYWXBO-FUHWJXTLSA-N 2 2 350.507 0.873 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173604606 488843891 /nfs/dbraw/zinc/84/38/91/488843891.db2.gz LGBWEXPZFYWXBO-FUHWJXTLSA-N 2 2 350.507 0.873 20 0 FCADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173726217 488844877 /nfs/dbraw/zinc/84/48/77/488844877.db2.gz GHSATRMTPNCPIS-SJLPKXTDSA-N 2 2 354.539 0.876 20 0 FCADLP CCC(CC)[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173726236 488844887 /nfs/dbraw/zinc/84/48/87/488844887.db2.gz GHSATRMTPNCPIS-FUHWJXTLSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@H](CNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000174204198 488847787 /nfs/dbraw/zinc/84/77/87/488847787.db2.gz FDBLGPDXDYZERS-QGZVFWFLSA-N 2 2 361.490 0.288 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174452584 488849218 /nfs/dbraw/zinc/84/92/18/488849218.db2.gz WLIBBNDBFPVJFB-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174452584 488849219 /nfs/dbraw/zinc/84/92/19/488849219.db2.gz WLIBBNDBFPVJFB-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000174501639 488849591 /nfs/dbraw/zinc/84/95/91/488849591.db2.gz MVMWYPOFLKXGFD-WMLDXEAASA-N 2 2 353.467 0.210 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174602105 488850251 /nfs/dbraw/zinc/85/02/51/488850251.db2.gz KDAYCPRZNGXKOZ-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174602105 488850252 /nfs/dbraw/zinc/85/02/52/488850252.db2.gz KDAYCPRZNGXKOZ-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000174602105 488850253 /nfs/dbraw/zinc/85/02/53/488850253.db2.gz KDAYCPRZNGXKOZ-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000174602105 488850254 /nfs/dbraw/zinc/85/02/54/488850254.db2.gz KDAYCPRZNGXKOZ-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000174671770 488850654 /nfs/dbraw/zinc/85/06/54/488850654.db2.gz NIOAEBJXWRWDBG-HXUWFJFHSA-N 2 2 374.529 0.963 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000175241653 488853547 /nfs/dbraw/zinc/85/35/47/488853547.db2.gz SXHNNBFBANZVJB-UHFFFAOYSA-N 2 2 359.430 0.895 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000175241653 488853548 /nfs/dbraw/zinc/85/35/48/488853548.db2.gz SXHNNBFBANZVJB-UHFFFAOYSA-N 2 2 359.430 0.895 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175551671 488854330 /nfs/dbraw/zinc/85/43/30/488854330.db2.gz NPSQNUOOOWZKGO-SFHVURJKSA-N 3 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175551671 488854331 /nfs/dbraw/zinc/85/43/31/488854331.db2.gz NPSQNUOOOWZKGO-SFHVURJKSA-N 3 2 369.554 0.668 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000175727607 488855113 /nfs/dbraw/zinc/85/51/13/488855113.db2.gz RUXZIIISRNCUIH-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000175727607 488855114 /nfs/dbraw/zinc/85/51/14/488855114.db2.gz RUXZIIISRNCUIH-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000175765248 488855441 /nfs/dbraw/zinc/85/54/41/488855441.db2.gz PGNYYAIXRZEGLG-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000175803715 488855574 /nfs/dbraw/zinc/85/55/74/488855574.db2.gz IIJYQSDCJVEBRU-IKGGRYGDSA-N 2 2 354.495 0.317 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000177138888 488859309 /nfs/dbraw/zinc/85/93/09/488859309.db2.gz KZCOBQPSKCZZGI-IYBDPMFKSA-N 2 2 364.490 0.304 20 0 FCADLP CCCNC(=O)C1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179286054 488861029 /nfs/dbraw/zinc/86/10/29/488861029.db2.gz DAZAQCQZJRTZQL-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC(C)(CO)CO ZINC000179563155 488861395 /nfs/dbraw/zinc/86/13/95/488861395.db2.gz VYPNLPPAHWMIQW-OAHLLOKOSA-N 2 2 350.463 0.041 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC(C)(CO)CO ZINC000179563155 488861396 /nfs/dbraw/zinc/86/13/96/488861396.db2.gz VYPNLPPAHWMIQW-OAHLLOKOSA-N 2 2 350.463 0.041 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000180942285 488862706 /nfs/dbraw/zinc/86/27/06/488862706.db2.gz SGOQZMMIARGMDD-KRWDZBQOSA-N 2 2 367.538 0.071 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000180942285 488862707 /nfs/dbraw/zinc/86/27/07/488862707.db2.gz SGOQZMMIARGMDD-KRWDZBQOSA-N 2 2 367.538 0.071 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000180942285 488862708 /nfs/dbraw/zinc/86/27/08/488862708.db2.gz SGOQZMMIARGMDD-KRWDZBQOSA-N 2 2 367.538 0.071 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000180942285 488862709 /nfs/dbraw/zinc/86/27/09/488862709.db2.gz SGOQZMMIARGMDD-KRWDZBQOSA-N 2 2 367.538 0.071 20 0 FCADLP CN(CC[N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000182272611 488864479 /nfs/dbraw/zinc/86/44/79/488864479.db2.gz NQPSWOXIHXGUKL-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP CN(CC[N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000182272611 488864480 /nfs/dbraw/zinc/86/44/80/488864480.db2.gz NQPSWOXIHXGUKL-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NCC(=O)OC(C)(C)C ZINC000182272611 488864481 /nfs/dbraw/zinc/86/44/81/488864481.db2.gz NQPSWOXIHXGUKL-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NCC(=O)OC(C)(C)C ZINC000182272611 488864482 /nfs/dbraw/zinc/86/44/82/488864482.db2.gz NQPSWOXIHXGUKL-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C2 ZINC000364575995 488974610 /nfs/dbraw/zinc/97/46/10/488974610.db2.gz ZWDGIWDQLYWIBK-AUUYWEPGSA-N 2 2 364.490 0.837 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)CC2 ZINC000364575995 488974612 /nfs/dbraw/zinc/97/46/12/488974612.db2.gz ZWDGIWDQLYWIBK-AUUYWEPGSA-N 2 2 364.490 0.837 20 0 FCADLP COCCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642398 488981128 /nfs/dbraw/zinc/98/11/28/488981128.db2.gz RASGNYQLXCXFSL-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP COCCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642398 488981129 /nfs/dbraw/zinc/98/11/29/488981129.db2.gz RASGNYQLXCXFSL-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CCc1ncsc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364753630 488997201 /nfs/dbraw/zinc/99/72/01/488997201.db2.gz GNBYKEZIDIPOON-GFCCVEGCSA-N 2 2 365.503 0.929 20 0 FCADLP CCc1ncsc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364753630 488997204 /nfs/dbraw/zinc/99/72/04/488997204.db2.gz GNBYKEZIDIPOON-GFCCVEGCSA-N 2 2 365.503 0.929 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000280339221 488999923 /nfs/dbraw/zinc/99/99/23/488999923.db2.gz RSVGQNBOIMLJNE-UHFFFAOYSA-N 2 2 357.458 0.961 20 0 FCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329467067 489006963 /nfs/dbraw/zinc/00/69/63/489006963.db2.gz WIDVQOXCQLQNRH-KRWDZBQOSA-N 2 2 368.441 0.646 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483408 489008270 /nfs/dbraw/zinc/00/82/70/489008270.db2.gz FFTGKSMSLUPATD-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483408 489008272 /nfs/dbraw/zinc/00/82/72/489008272.db2.gz FFTGKSMSLUPATD-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329483408 489008275 /nfs/dbraw/zinc/00/82/75/489008275.db2.gz FFTGKSMSLUPATD-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329483408 489008279 /nfs/dbraw/zinc/00/82/79/489008279.db2.gz FFTGKSMSLUPATD-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483407 489008662 /nfs/dbraw/zinc/00/86/62/489008662.db2.gz FFTGKSMSLUPATD-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483407 489008665 /nfs/dbraw/zinc/00/86/65/489008665.db2.gz FFTGKSMSLUPATD-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329483407 489008668 /nfs/dbraw/zinc/00/86/68/489008668.db2.gz FFTGKSMSLUPATD-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329483407 489008671 /nfs/dbraw/zinc/00/86/71/489008671.db2.gz FFTGKSMSLUPATD-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP O[C@H](C[NH+]1CCS[C@H]2COCC[C@@H]21)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976741 489025572 /nfs/dbraw/zinc/02/55/72/489025572.db2.gz FMGBPAHPXZCOON-VIQHNZTISA-N 2 2 374.572 0.760 20 0 FCADLP O[C@H](C[NH+]1CCS[C@H]2COCC[C@@H]21)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976741 489025573 /nfs/dbraw/zinc/02/55/73/489025573.db2.gz FMGBPAHPXZCOON-VIQHNZTISA-N 2 2 374.572 0.760 20 0 FCADLP O[C@@H](C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000364976741 489025574 /nfs/dbraw/zinc/02/55/74/489025574.db2.gz FMGBPAHPXZCOON-VIQHNZTISA-N 2 2 374.572 0.760 20 0 FCADLP O[C@@H](C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000364976741 489025575 /nfs/dbraw/zinc/02/55/75/489025575.db2.gz FMGBPAHPXZCOON-VIQHNZTISA-N 2 2 374.572 0.760 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1CC(C)(C)O ZINC000289210118 489049570 /nfs/dbraw/zinc/04/95/70/489049570.db2.gz MVMIEBHOIWCDOQ-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1CC(C)(C)O ZINC000289210118 489049575 /nfs/dbraw/zinc/04/95/75/489049575.db2.gz MVMIEBHOIWCDOQ-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000289249745 489052700 /nfs/dbraw/zinc/05/27/00/489052700.db2.gz PYKHJDXQZSECGT-MRXNPFEDSA-N 2 2 355.442 0.895 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281026 489055611 /nfs/dbraw/zinc/05/56/11/489055611.db2.gz SRARVKZZMJIXAT-HOTGVXAUSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281026 489055612 /nfs/dbraw/zinc/05/56/12/489055612.db2.gz SRARVKZZMJIXAT-HOTGVXAUSA-N 2 2 355.442 0.893 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454529 489068614 /nfs/dbraw/zinc/06/86/14/489068614.db2.gz XRELTTLWAYVIAN-ZIAGYGMSSA-N 2 2 361.446 0.979 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454529 489068616 /nfs/dbraw/zinc/06/86/16/489068616.db2.gz XRELTTLWAYVIAN-ZIAGYGMSSA-N 2 2 361.446 0.979 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000330122770 489071115 /nfs/dbraw/zinc/07/11/15/489071115.db2.gz KKZKRUFSDZRFHL-HNNXBMFYSA-N 2 2 350.467 0.631 20 0 FCADLP CN1CCO[C@@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000330276911 489087208 /nfs/dbraw/zinc/08/72/08/489087208.db2.gz NOUINVFSWCBODQ-IAGOWNOFSA-N 2 2 359.474 0.135 20 0 FCADLP CN1CCO[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000330276911 489087211 /nfs/dbraw/zinc/08/72/11/489087211.db2.gz NOUINVFSWCBODQ-IAGOWNOFSA-N 2 2 359.474 0.135 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000668332522 493332627 /nfs/dbraw/zinc/33/26/27/493332627.db2.gz OPXWCLSXMSLFIV-UHFFFAOYSA-N 2 2 356.430 0.701 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330601814 489122133 /nfs/dbraw/zinc/12/21/33/489122133.db2.gz VWDVAQOKGHSVRK-RVKKMQEKSA-N 2 2 368.522 0.447 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330601814 489122135 /nfs/dbraw/zinc/12/21/35/489122135.db2.gz VWDVAQOKGHSVRK-RVKKMQEKSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000554981835 491234718 /nfs/dbraw/zinc/23/47/18/491234718.db2.gz WSXFDXFEPPCSCN-INIZCTEOSA-N 2 2 358.446 0.528 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000554981835 491234719 /nfs/dbraw/zinc/23/47/19/491234719.db2.gz WSXFDXFEPPCSCN-INIZCTEOSA-N 2 2 358.446 0.528 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3CCc4ccccc4C3=O)C2)CC1 ZINC000366053033 489139651 /nfs/dbraw/zinc/13/96/51/489139651.db2.gz LXOGZULFOYAGQP-QGZVFWFLSA-N 2 2 370.497 0.970 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3CCc4ccccc4C3=O)C2)CC1 ZINC000366053033 489139653 /nfs/dbraw/zinc/13/96/53/489139653.db2.gz LXOGZULFOYAGQP-QGZVFWFLSA-N 2 2 370.497 0.970 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499121 489144541 /nfs/dbraw/zinc/14/45/41/489144541.db2.gz MVRRLRPQQRARDX-BZUAXINKSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290499121 489144544 /nfs/dbraw/zinc/14/45/44/489144544.db2.gz MVRRLRPQQRARDX-BZUAXINKSA-N 2 2 359.474 0.575 20 0 FCADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000290612185 489153329 /nfs/dbraw/zinc/15/33/29/489153329.db2.gz HYZLLJVOLUNMOI-GDBMZVCRSA-N 2 2 363.458 0.985 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000290682003 489157767 /nfs/dbraw/zinc/15/77/67/489157767.db2.gz VPNWCOPQIUIKIX-SJORKVTESA-N 2 2 371.485 0.721 20 0 FCADLP O=C(CCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000290723026 489160273 /nfs/dbraw/zinc/16/02/73/489160273.db2.gz WPAFPZAWQILYPD-DLBZAZTESA-N 2 2 371.485 0.578 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729898 489160989 /nfs/dbraw/zinc/16/09/89/489160989.db2.gz YFOXTWVOCJJZOQ-IXDOHACOSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729898 489160991 /nfs/dbraw/zinc/16/09/91/489160991.db2.gz YFOXTWVOCJJZOQ-IXDOHACOSA-N 2 2 371.485 0.719 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000330962516 489161349 /nfs/dbraw/zinc/16/13/49/489161349.db2.gz CFIKWLWHEMRCPF-UHFFFAOYSA-N 2 2 353.511 0.907 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000570381811 491237044 /nfs/dbraw/zinc/23/70/44/491237044.db2.gz LKGIFOSWCQVFTC-HOTGVXAUSA-N 2 2 361.494 0.286 20 0 FCADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115159 489174954 /nfs/dbraw/zinc/17/49/54/489174954.db2.gz LLZQLSBCZLQKHJ-HIFRSBDPSA-N 2 2 355.504 0.995 20 0 FCADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115159 489174955 /nfs/dbraw/zinc/17/49/55/489174955.db2.gz LLZQLSBCZLQKHJ-HIFRSBDPSA-N 2 2 355.504 0.995 20 0 FCADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366553470 489193812 /nfs/dbraw/zinc/19/38/12/489193812.db2.gz GZTSVJVBRGGVDR-YJBOKZPZSA-N 2 2 368.522 0.584 20 0 FCADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366553470 489193816 /nfs/dbraw/zinc/19/38/16/489193816.db2.gz GZTSVJVBRGGVDR-YJBOKZPZSA-N 2 2 368.522 0.584 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000297433738 489201295 /nfs/dbraw/zinc/20/12/95/489201295.db2.gz CFRSNRMAUCAWSQ-UHFFFAOYSA-N 2 2 362.449 0.634 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000297433738 489201299 /nfs/dbraw/zinc/20/12/99/489201299.db2.gz CFRSNRMAUCAWSQ-UHFFFAOYSA-N 2 2 362.449 0.634 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000283068216 489212313 /nfs/dbraw/zinc/21/23/13/489212313.db2.gz BPMMFRGNQFDAFR-UHFFFAOYSA-N 2 2 361.471 0.625 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000283068216 489212315 /nfs/dbraw/zinc/21/23/15/489212315.db2.gz BPMMFRGNQFDAFR-UHFFFAOYSA-N 2 2 361.471 0.625 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[NH+](C(C)C)CC1)C2 ZINC000297609918 489213688 /nfs/dbraw/zinc/21/36/88/489213688.db2.gz GPUSYKCIBRUTQQ-UHFFFAOYSA-N 2 2 361.490 0.981 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297632016 489216261 /nfs/dbraw/zinc/21/62/61/489216261.db2.gz ATIRDEJAYMNGMS-OAHLLOKOSA-N 2 2 365.478 0.035 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297632016 489216263 /nfs/dbraw/zinc/21/62/63/489216263.db2.gz ATIRDEJAYMNGMS-OAHLLOKOSA-N 2 2 365.478 0.035 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3(C[NH3+])CCCC3)ccn2)CC1 ZINC000570424112 491240188 /nfs/dbraw/zinc/24/01/88/491240188.db2.gz WIGYUXUWRLDSDG-UHFFFAOYSA-N 2 2 360.462 0.862 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297701960 489226431 /nfs/dbraw/zinc/22/64/31/489226431.db2.gz BYRITHNERVLZKV-QGZVFWFLSA-N 2 2 373.501 0.921 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297701960 489226434 /nfs/dbraw/zinc/22/64/34/489226434.db2.gz BYRITHNERVLZKV-QGZVFWFLSA-N 2 2 373.501 0.921 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000283231973 489230422 /nfs/dbraw/zinc/23/04/22/489230422.db2.gz CBVPAGAHEIUWHP-UHFFFAOYSA-N 2 2 355.442 0.912 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000297729948 489231403 /nfs/dbraw/zinc/23/14/03/489231403.db2.gz HFWQGZSOMNRQKP-UHFFFAOYSA-N 2 2 374.485 0.504 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000297729948 489231405 /nfs/dbraw/zinc/23/14/05/489231405.db2.gz HFWQGZSOMNRQKP-UHFFFAOYSA-N 2 2 374.485 0.504 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332829846 489236870 /nfs/dbraw/zinc/23/68/70/489236870.db2.gz DBXYCVYZKKVFSE-IKGGRYGDSA-N 2 2 354.495 0.384 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332829846 489236874 /nfs/dbraw/zinc/23/68/74/489236874.db2.gz DBXYCVYZKKVFSE-IKGGRYGDSA-N 2 2 354.495 0.384 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000283281717 489237971 /nfs/dbraw/zinc/23/79/71/489237971.db2.gz GQKNCVYBBIIZNY-HOTGVXAUSA-N 2 2 365.478 0.253 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000283281717 489237973 /nfs/dbraw/zinc/23/79/73/489237973.db2.gz GQKNCVYBBIIZNY-HOTGVXAUSA-N 2 2 365.478 0.253 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524083 489248365 /nfs/dbraw/zinc/24/83/65/489248365.db2.gz ZMQKFPDWKZERAH-DLBZAZTESA-N 3 2 367.538 0.422 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524083 489248374 /nfs/dbraw/zinc/24/83/74/489248374.db2.gz ZMQKFPDWKZERAH-DLBZAZTESA-N 3 2 367.538 0.422 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCOC[C@@H]3CCOC3)C2)CC1 ZINC000369585136 489254685 /nfs/dbraw/zinc/25/46/85/489254685.db2.gz QOYGMLUWMKXKKM-IRXDYDNUSA-N 2 2 368.522 0.897 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCOC[C@@H]3CCOC3)C2)CC1 ZINC000369585136 489254689 /nfs/dbraw/zinc/25/46/89/489254689.db2.gz QOYGMLUWMKXKKM-IRXDYDNUSA-N 2 2 368.522 0.897 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000333035644 489257082 /nfs/dbraw/zinc/25/70/82/489257082.db2.gz NIMUYLZQGMXCBA-UONOGXRCSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000333035644 489257087 /nfs/dbraw/zinc/25/70/87/489257087.db2.gz NIMUYLZQGMXCBA-UONOGXRCSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)[C@@H]1CCSC1 ZINC000333035644 489257091 /nfs/dbraw/zinc/25/70/91/489257091.db2.gz NIMUYLZQGMXCBA-UONOGXRCSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)[C@@H]1CCSC1 ZINC000333035644 489257094 /nfs/dbraw/zinc/25/70/94/489257094.db2.gz NIMUYLZQGMXCBA-UONOGXRCSA-N 2 2 364.519 0.529 20 0 FCADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000333417432 489260739 /nfs/dbraw/zinc/26/07/39/489260739.db2.gz HMIJAWKQRIECKU-HOTGVXAUSA-N 2 2 364.494 1.162 20 0 FCADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000333417432 489260742 /nfs/dbraw/zinc/26/07/42/489260742.db2.gz HMIJAWKQRIECKU-HOTGVXAUSA-N 2 2 364.494 1.162 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000563406437 491242713 /nfs/dbraw/zinc/24/27/13/491242713.db2.gz JLRDQQHYJXUIDR-ULQDDVLXSA-N 2 2 366.506 0.108 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[NH+]1CCOCC1 ZINC000283590892 489278930 /nfs/dbraw/zinc/27/89/30/489278930.db2.gz PVZYZJKMNWFWOM-HNNXBMFYSA-N 2 2 365.478 0.290 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000283618486 489281979 /nfs/dbraw/zinc/28/19/79/489281979.db2.gz XIUDCIVWBCIIAP-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000283618486 489281982 /nfs/dbraw/zinc/28/19/82/489281982.db2.gz XIUDCIVWBCIIAP-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000298121264 489293854 /nfs/dbraw/zinc/29/38/54/489293854.db2.gz PNTLQLQVTQATAB-UHFFFAOYSA-N 2 2 352.504 0.455 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000298249534 489308492 /nfs/dbraw/zinc/30/84/92/489308492.db2.gz TYGDGQSSGBIZNK-UHFFFAOYSA-N 2 2 371.441 0.844 20 0 FCADLP COC(=O)C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126725 489318808 /nfs/dbraw/zinc/31/88/08/489318808.db2.gz RJSRTWYOYSFCAR-HOCLYGCPSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126725 489318810 /nfs/dbraw/zinc/31/88/10/489318810.db2.gz RJSRTWYOYSFCAR-HOCLYGCPSA-N 2 2 368.478 0.128 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)[nH+]c2c1 ZINC000285504798 489319506 /nfs/dbraw/zinc/31/95/06/489319506.db2.gz NTQBQPNATMEMPT-HNNXBMFYSA-N 2 2 373.457 0.343 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000285867730 489328420 /nfs/dbraw/zinc/32/84/20/489328420.db2.gz KTLSQHNTXVNBIH-GJZGRUSLSA-N 2 2 363.462 0.548 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2noc(CCCC[NH+]3CCOCC3)n2)CC1 ZINC000350228369 489335798 /nfs/dbraw/zinc/33/57/98/489335798.db2.gz JPCPGDKMWSFTAR-UHFFFAOYSA-N 2 2 365.478 0.431 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000370427436 489358483 /nfs/dbraw/zinc/35/84/83/489358483.db2.gz FQWMPDLJPDMAAW-GOSISDBHSA-N 2 2 353.507 0.793 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000370427436 489358486 /nfs/dbraw/zinc/35/84/86/489358486.db2.gz FQWMPDLJPDMAAW-GOSISDBHSA-N 2 2 353.507 0.793 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000370427436 489358490 /nfs/dbraw/zinc/35/84/90/489358490.db2.gz FQWMPDLJPDMAAW-GOSISDBHSA-N 2 2 353.507 0.793 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000370427436 489358493 /nfs/dbraw/zinc/35/84/93/489358493.db2.gz FQWMPDLJPDMAAW-GOSISDBHSA-N 2 2 353.507 0.793 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561236 491249929 /nfs/dbraw/zinc/24/99/29/491249929.db2.gz BOPSDRIBOVMYPR-HKUYNNGSSA-N 2 2 362.474 0.426 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561236 491249932 /nfs/dbraw/zinc/24/99/32/491249932.db2.gz BOPSDRIBOVMYPR-HKUYNNGSSA-N 2 2 362.474 0.426 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000563505387 491251565 /nfs/dbraw/zinc/25/15/65/491251565.db2.gz RQOGCKGSQPWOON-FXAWDEMLSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000563505387 491251568 /nfs/dbraw/zinc/25/15/68/491251568.db2.gz RQOGCKGSQPWOON-FXAWDEMLSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000563505388 491251675 /nfs/dbraw/zinc/25/16/75/491251675.db2.gz RQOGCKGSQPWOON-PXNSSMCTSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000563505388 491251678 /nfs/dbraw/zinc/25/16/78/491251678.db2.gz RQOGCKGSQPWOON-PXNSSMCTSA-N 2 2 361.486 0.803 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000286501972 489398751 /nfs/dbraw/zinc/39/87/51/489398751.db2.gz WNWVXAVAAPJHCR-HNNXBMFYSA-N 2 2 359.474 0.767 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000286501972 489398754 /nfs/dbraw/zinc/39/87/54/489398754.db2.gz WNWVXAVAAPJHCR-HNNXBMFYSA-N 2 2 359.474 0.767 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000370766712 489399193 /nfs/dbraw/zinc/39/91/93/489399193.db2.gz OBZOMNIWPAHOSQ-SFHVURJKSA-N 2 2 364.421 0.389 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286532286 489401562 /nfs/dbraw/zinc/40/15/62/489401562.db2.gz IAUOVIICNHLYEO-HUUCEWRRSA-N 2 2 365.478 0.313 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000362896044 489404100 /nfs/dbraw/zinc/40/41/00/489404100.db2.gz GTSVCESKVJSVKE-FGTMMUONSA-N 2 2 367.538 0.111 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000286599391 489408422 /nfs/dbraw/zinc/40/84/22/489408422.db2.gz WVSLMHROFQEVKH-CVEARBPZSA-N 2 2 361.490 0.743 20 0 FCADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCC[NH+]1C ZINC000286606263 489409758 /nfs/dbraw/zinc/40/97/58/489409758.db2.gz BMKYXHWHPLBFAZ-KBXCAEBGSA-N 2 2 374.489 0.332 20 0 FCADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CCC[NH+]1C ZINC000286606263 489409762 /nfs/dbraw/zinc/40/97/62/489409762.db2.gz BMKYXHWHPLBFAZ-KBXCAEBGSA-N 2 2 374.489 0.332 20 0 FCADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CCC[N@@H+]1C ZINC000286606263 489409765 /nfs/dbraw/zinc/40/97/65/489409765.db2.gz BMKYXHWHPLBFAZ-KBXCAEBGSA-N 2 2 374.489 0.332 20 0 FCADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CCC[N@H+]1C ZINC000286606263 489409769 /nfs/dbraw/zinc/40/97/69/489409769.db2.gz BMKYXHWHPLBFAZ-KBXCAEBGSA-N 2 2 374.489 0.332 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000286743359 489424144 /nfs/dbraw/zinc/42/41/44/489424144.db2.gz GKOVARYSMUQZKG-RBSFLKMASA-N 2 2 363.462 0.137 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000299320623 489431983 /nfs/dbraw/zinc/43/19/83/489431983.db2.gz YXXBPNMBJMOASE-HOTGVXAUSA-N 2 2 358.446 0.819 20 0 FCADLP CCOCCO[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371002786 489436407 /nfs/dbraw/zinc/43/64/07/489436407.db2.gz DCGWNOOWMYFSFC-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCCO[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371002786 489436410 /nfs/dbraw/zinc/43/64/10/489436410.db2.gz DCGWNOOWMYFSFC-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000287172524 489467159 /nfs/dbraw/zinc/46/71/59/489467159.db2.gz NAPTVWWOMIBWKL-AWEZNQCLSA-N 2 2 358.446 0.784 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300597 489475627 /nfs/dbraw/zinc/47/56/27/489475627.db2.gz QENDCPBNTZIWRR-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300597 489475628 /nfs/dbraw/zinc/47/56/28/489475628.db2.gz QENDCPBNTZIWRR-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000363535722 489476785 /nfs/dbraw/zinc/47/67/85/489476785.db2.gz JZOAUTMSSUTRPH-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539933 489477496 /nfs/dbraw/zinc/47/74/96/489477496.db2.gz QNWFHUICNAXBRU-ROUUACIJSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539933 489477497 /nfs/dbraw/zinc/47/74/97/489477497.db2.gz QNWFHUICNAXBRU-ROUUACIJSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000363587606 489481769 /nfs/dbraw/zinc/48/17/69/489481769.db2.gz SDBUYRCBOMYDOY-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000371638836 489491557 /nfs/dbraw/zinc/49/15/57/489491557.db2.gz VFZJHJUJJCDVIU-OAHLLOKOSA-N 2 2 351.495 0.417 20 0 FCADLP CC(C)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000371638836 489491558 /nfs/dbraw/zinc/49/15/58/489491558.db2.gz VFZJHJUJJCDVIU-OAHLLOKOSA-N 2 2 351.495 0.417 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676697 491257088 /nfs/dbraw/zinc/25/70/88/491257088.db2.gz UZLVNDBRAIXCKZ-YWTNHNAXSA-N 2 2 355.523 0.547 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000414587571 489505628 /nfs/dbraw/zinc/50/56/28/489505628.db2.gz MQCDGAIXIDTWKK-QGZVFWFLSA-N 2 2 358.486 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000414587571 489505630 /nfs/dbraw/zinc/50/56/30/489505630.db2.gz MQCDGAIXIDTWKK-QGZVFWFLSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000423252119 489507095 /nfs/dbraw/zinc/50/70/95/489507095.db2.gz TYDATNVQTUWPIB-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423255205 489507627 /nfs/dbraw/zinc/50/76/27/489507627.db2.gz BENMRNJCGXVHMK-HOCLYGCPSA-N 2 2 360.458 0.460 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414783942 489511642 /nfs/dbraw/zinc/51/16/42/489511642.db2.gz HYBKQAPJSHXHLM-GASCZTMLSA-N 2 2 374.489 0.619 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414783942 489511644 /nfs/dbraw/zinc/51/16/44/489511644.db2.gz HYBKQAPJSHXHLM-GASCZTMLSA-N 2 2 374.489 0.619 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415544090 489527849 /nfs/dbraw/zinc/52/78/49/489527849.db2.gz STCIDONZKHCBHC-RDJZCZTQSA-N 2 2 373.501 0.568 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000415577736 489532583 /nfs/dbraw/zinc/53/25/83/489532583.db2.gz ZCXSHJJNXZFQSM-HOTGVXAUSA-N 2 2 373.501 0.581 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCCC[C@H]1C ZINC000426029379 489553635 /nfs/dbraw/zinc/55/36/35/489553635.db2.gz KFGSQPAFQLHGNQ-CABCVRRESA-N 2 2 353.511 0.840 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCCC[C@H]1C ZINC000426029379 489553637 /nfs/dbraw/zinc/55/36/37/489553637.db2.gz KFGSQPAFQLHGNQ-CABCVRRESA-N 2 2 353.511 0.840 20 0 FCADLP CC1(C)CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000415824804 489555989 /nfs/dbraw/zinc/55/59/89/489555989.db2.gz XBLSLZGTWLZUFJ-UHFFFAOYSA-N 2 2 360.458 0.668 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138805 489556082 /nfs/dbraw/zinc/55/60/82/489556082.db2.gz JEIKWLBRANNZMR-OLZOCXBDSA-N 2 2 364.412 0.539 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138805 489556083 /nfs/dbraw/zinc/55/60/83/489556083.db2.gz JEIKWLBRANNZMR-OLZOCXBDSA-N 2 2 364.412 0.539 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000426226581 489560192 /nfs/dbraw/zinc/56/01/92/489560192.db2.gz IJILEHBCTOHRBD-GJZGRUSLSA-N 2 2 369.510 0.077 20 0 FCADLP CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224655 489561154 /nfs/dbraw/zinc/56/11/54/489561154.db2.gz ZUBPZPMSQTWVPY-HUUCEWRRSA-N 2 2 367.494 0.685 20 0 FCADLP CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224655 489561157 /nfs/dbraw/zinc/56/11/57/489561157.db2.gz ZUBPZPMSQTWVPY-HUUCEWRRSA-N 2 2 367.494 0.685 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]1CCO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000426265992 489561674 /nfs/dbraw/zinc/56/16/74/489561674.db2.gz XEXPQVDEVJYHBE-IBGZPJMESA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]1CCO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000426265992 489561677 /nfs/dbraw/zinc/56/16/77/489561677.db2.gz XEXPQVDEVJYHBE-IBGZPJMESA-N 2 2 361.486 0.982 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415890382 489563388 /nfs/dbraw/zinc/56/33/88/489563388.db2.gz HWCVYKXJTJSZSS-WBVHZDCISA-N 2 2 372.469 0.525 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415890379 489563428 /nfs/dbraw/zinc/56/34/28/489563428.db2.gz HWCVYKXJTJSZSS-NVXWUHKLSA-N 2 2 372.469 0.525 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416003524 489567351 /nfs/dbraw/zinc/56/73/51/489567351.db2.gz GZZSJKUMPHASIP-CMPLNLGQSA-N 2 2 365.400 0.260 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000372292991 489567866 /nfs/dbraw/zinc/56/78/66/489567866.db2.gz FYNHVJXOGOQJRF-KRWDZBQOSA-N 2 2 359.474 0.636 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000372292991 489567869 /nfs/dbraw/zinc/56/78/69/489567869.db2.gz FYNHVJXOGOQJRF-KRWDZBQOSA-N 2 2 359.474 0.636 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000570699404 491259066 /nfs/dbraw/zinc/25/90/66/491259066.db2.gz WBELMEWPPBRKPE-KGLIPLIRSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000570699404 491259069 /nfs/dbraw/zinc/25/90/69/491259069.db2.gz WBELMEWPPBRKPE-KGLIPLIRSA-N 2 2 359.430 0.195 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000426601084 489576317 /nfs/dbraw/zinc/57/63/17/489576317.db2.gz PSSRIMMLVLENDQ-IYBDPMFKSA-N 2 2 374.445 0.340 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000555666556 491263902 /nfs/dbraw/zinc/26/39/02/491263902.db2.gz JEXKMYCLTDSNLW-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555667957 491264069 /nfs/dbraw/zinc/26/40/69/491264069.db2.gz NWFXTTSSCLKHKA-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000563714491 491264743 /nfs/dbraw/zinc/26/47/43/491264743.db2.gz JIWAYULHQDMHCL-JYJNAYRXSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000563714491 491264745 /nfs/dbraw/zinc/26/47/45/491264745.db2.gz JIWAYULHQDMHCL-JYJNAYRXSA-N 2 2 368.522 0.448 20 0 FCADLP COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+](C)C1 ZINC000416575837 489613010 /nfs/dbraw/zinc/61/30/10/489613010.db2.gz BZWQJIKNYSPPGY-OAHLLOKOSA-N 2 2 369.487 0.474 20 0 FCADLP COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+](C)C1 ZINC000416575837 489613013 /nfs/dbraw/zinc/61/30/13/489613013.db2.gz BZWQJIKNYSPPGY-OAHLLOKOSA-N 2 2 369.487 0.474 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372649745 489615328 /nfs/dbraw/zinc/61/53/28/489615328.db2.gz OMCUKDDZHBOMBT-ZCNNSNEGSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372649745 489615329 /nfs/dbraw/zinc/61/53/29/489615329.db2.gz OMCUKDDZHBOMBT-ZCNNSNEGSA-N 2 2 373.497 0.945 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000570817408 491266883 /nfs/dbraw/zinc/26/68/83/491266883.db2.gz VCTDNVPBEZYDRQ-KRWDZBQOSA-N 2 2 362.474 0.901 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000427737717 489619171 /nfs/dbraw/zinc/61/91/71/489619171.db2.gz WNZOHMKZBJKGON-MRXNPFEDSA-N 2 2 350.463 0.863 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000427737717 489619174 /nfs/dbraw/zinc/61/91/74/489619174.db2.gz WNZOHMKZBJKGON-MRXNPFEDSA-N 2 2 350.463 0.863 20 0 FCADLP CC(C)(CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416833992 489631398 /nfs/dbraw/zinc/63/13/98/489631398.db2.gz WBGGWYCJZVARIP-OAHLLOKOSA-N 2 2 369.510 0.126 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(CC[NH3+])CCO)cc1 ZINC000416880990 489633150 /nfs/dbraw/zinc/63/31/50/489633150.db2.gz FTTOMHCDCMWOPF-QGZVFWFLSA-N 2 2 350.463 0.331 20 0 FCADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000416960597 489636680 /nfs/dbraw/zinc/63/66/80/489636680.db2.gz QZXHZYVPUGWURA-UHFFFAOYSA-N 2 2 356.474 0.678 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417169517 489643875 /nfs/dbraw/zinc/64/38/75/489643875.db2.gz BOPHQGKMAXOVMH-MSOLQXFVSA-N 2 2 362.474 0.737 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417275027 489646258 /nfs/dbraw/zinc/64/62/58/489646258.db2.gz UZDPXZDDZYKZKH-ZMSDIMECSA-N 2 2 356.536 0.963 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC1CC[NH2+]CC1 ZINC000417300461 489647594 /nfs/dbraw/zinc/64/75/94/489647594.db2.gz UBNPGGMNSQLWRX-UHFFFAOYSA-N 2 2 362.474 0.949 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457599266 489650792 /nfs/dbraw/zinc/65/07/92/489650792.db2.gz MBRQMANHTGMDRV-FGTMMUONSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457599266 489650793 /nfs/dbraw/zinc/65/07/93/489650793.db2.gz MBRQMANHTGMDRV-FGTMMUONSA-N 2 2 370.538 0.830 20 0 FCADLP COc1cc2[nH+]c(N3CCC[N@H+](CC(N)=O)CC3)nc(N)c2cc1OC ZINC000372910187 489651070 /nfs/dbraw/zinc/65/10/70/489651070.db2.gz UCHZJCLVZBOUPL-UHFFFAOYSA-N 2 2 360.418 0.227 20 0 FCADLP COc1cc2[nH+]c(N3CCC[N@@H+](CC(N)=O)CC3)nc(N)c2cc1OC ZINC000372910187 489651073 /nfs/dbraw/zinc/65/10/73/489651073.db2.gz UCHZJCLVZBOUPL-UHFFFAOYSA-N 2 2 360.418 0.227 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428631582 489658564 /nfs/dbraw/zinc/65/85/64/489658564.db2.gz YGGAHVKCKIEGQE-HNNXBMFYSA-N 2 2 355.442 0.547 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000417768557 489665406 /nfs/dbraw/zinc/66/54/06/489665406.db2.gz CQJWNUNOOXRRGP-KBPBESRZSA-N 2 2 363.466 0.246 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCO[C@@H](C[NH3+])C2)[nH+]cn1 ZINC000417768557 489665409 /nfs/dbraw/zinc/66/54/09/489665409.db2.gz CQJWNUNOOXRRGP-KBPBESRZSA-N 2 2 363.466 0.246 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062130 489665599 /nfs/dbraw/zinc/66/55/99/489665599.db2.gz AJVRLOODIDOYBF-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062130 489665601 /nfs/dbraw/zinc/66/56/01/489665601.db2.gz AJVRLOODIDOYBF-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991274 489669575 /nfs/dbraw/zinc/66/95/75/489669575.db2.gz JHMQAMZZWFVBOG-KXBFYZLASA-N 2 2 359.474 0.577 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991274 489669576 /nfs/dbraw/zinc/66/95/76/489669576.db2.gz JHMQAMZZWFVBOG-KXBFYZLASA-N 2 2 359.474 0.577 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417899012 489669897 /nfs/dbraw/zinc/66/98/97/489669897.db2.gz ZTULASCWKRAWDY-OAHLLOKOSA-N 2 2 358.446 0.863 20 0 FCADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022708 489670855 /nfs/dbraw/zinc/67/08/55/489670855.db2.gz UDXXHMHCCIPVME-KZNAEPCWSA-N 2 2 366.550 0.876 20 0 FCADLP C[C@@H]1C[C@H]1[N@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022708 489670857 /nfs/dbraw/zinc/67/08/57/489670857.db2.gz UDXXHMHCCIPVME-KZNAEPCWSA-N 2 2 366.550 0.876 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000373128440 489671286 /nfs/dbraw/zinc/67/12/86/489671286.db2.gz VCUMBBZAIUPQHW-SJORKVTESA-N 2 2 373.505 0.334 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000373128440 489671287 /nfs/dbraw/zinc/67/12/87/489671287.db2.gz VCUMBBZAIUPQHW-SJORKVTESA-N 2 2 373.505 0.334 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@H]2C[NH2+]C)([NH+]2CCOCC2)C1 ZINC000418082213 489678119 /nfs/dbraw/zinc/67/81/19/489678119.db2.gz IQTSEKQGKBZAKO-HJOIGYKYSA-N 2 2 354.495 0.650 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469067187 489688166 /nfs/dbraw/zinc/68/81/66/489688166.db2.gz WVZPTKAGHSKSNM-JKSUJKDBSA-N 2 2 361.446 0.584 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469067187 489688167 /nfs/dbraw/zinc/68/81/67/489688167.db2.gz WVZPTKAGHSKSNM-JKSUJKDBSA-N 2 2 361.446 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000418304478 489689904 /nfs/dbraw/zinc/68/99/04/489689904.db2.gz YKXQHXQKQFIQFO-KRWDZBQOSA-N 3 2 366.554 0.092 20 0 FCADLP C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000418304478 489689909 /nfs/dbraw/zinc/68/99/09/489689909.db2.gz YKXQHXQKQFIQFO-KRWDZBQOSA-N 3 2 366.554 0.092 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418362303 489693362 /nfs/dbraw/zinc/69/33/62/489693362.db2.gz BDRHPBHBFVJRJV-HOTGVXAUSA-N 2 2 353.511 0.570 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000489071727 489693498 /nfs/dbraw/zinc/69/34/98/489693498.db2.gz BMHSRGURGVWQNF-HNNXBMFYSA-N 2 2 362.478 0.370 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000418392954 489695801 /nfs/dbraw/zinc/69/58/01/489695801.db2.gz QIVHEUQAFVBXBL-ILXRZTDVSA-N 2 2 354.474 0.829 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000418411478 489697215 /nfs/dbraw/zinc/69/72/15/489697215.db2.gz FUCAQTHMDBDKCO-CVEARBPZSA-N 2 2 371.526 0.228 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418424145 489697539 /nfs/dbraw/zinc/69/75/39/489697539.db2.gz GJLNRSWVJOYVCE-CVEARBPZSA-N 2 2 353.511 0.698 20 0 FCADLP CC(C)NC(=O)CN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000429789739 489701468 /nfs/dbraw/zinc/70/14/68/489701468.db2.gz TVHVDZGDLBSVKD-KRWDZBQOSA-N 2 2 357.458 0.784 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000375348952 489714469 /nfs/dbraw/zinc/71/44/69/489714469.db2.gz VEOYUBCLSLKLQO-PBFPGSCMSA-N 2 2 371.445 1.233 20 0 FCADLP C[C@H](CCC[NH3+])NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418698347 489718944 /nfs/dbraw/zinc/71/89/44/489718944.db2.gz HKLWKYPLKOJPRQ-CVEARBPZSA-N 2 2 353.511 0.842 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418748194 489721872 /nfs/dbraw/zinc/72/18/72/489721872.db2.gz KKENCNQTWRELTP-LSDHHAIUSA-N 2 2 351.495 0.513 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489769095 489727239 /nfs/dbraw/zinc/72/72/39/489727239.db2.gz OKFBFHMZLUKUNZ-PBHICJAKSA-N 2 2 359.474 0.353 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418791669 489727731 /nfs/dbraw/zinc/72/77/31/489727731.db2.gz OCEMDHIOVCDYOZ-QRVBRYPASA-N 2 2 374.485 0.660 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418791669 489727733 /nfs/dbraw/zinc/72/77/33/489727733.db2.gz OCEMDHIOVCDYOZ-QRVBRYPASA-N 2 2 374.485 0.660 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489797791 489727945 /nfs/dbraw/zinc/72/79/45/489727945.db2.gz BWJXAVQLBGQURC-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489803304 489728826 /nfs/dbraw/zinc/72/88/26/489728826.db2.gz UQBXZIQNVGMRHS-SFHVURJKSA-N 2 2 360.502 0.893 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000489822750 489730398 /nfs/dbraw/zinc/73/03/98/489730398.db2.gz DXLBOJNAAUBLKN-ICSRJNTNSA-N 2 2 371.529 0.609 20 0 FCADLP CCN(C(=O)C[N@H+](CCC[NH3+])CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000489860535 489731491 /nfs/dbraw/zinc/73/14/91/489731491.db2.gz SLRLIUFATXRNGM-INIZCTEOSA-N 2 2 359.536 0.863 20 0 FCADLP CCN(C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000489860535 489731492 /nfs/dbraw/zinc/73/14/92/489731492.db2.gz SLRLIUFATXRNGM-INIZCTEOSA-N 2 2 359.536 0.863 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489856151 489731978 /nfs/dbraw/zinc/73/19/78/489731978.db2.gz GSZZNDKOCXTCOT-GFCCVEGCSA-N 2 2 370.475 0.484 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489856151 489731983 /nfs/dbraw/zinc/73/19/83/489731983.db2.gz GSZZNDKOCXTCOT-GFCCVEGCSA-N 2 2 370.475 0.484 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548796 489745032 /nfs/dbraw/zinc/74/50/32/489745032.db2.gz HOVUAVVLWRTOTG-RWMBFGLXSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548796 489745036 /nfs/dbraw/zinc/74/50/36/489745036.db2.gz HOVUAVVLWRTOTG-RWMBFGLXSA-N 2 2 354.476 0.720 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000430560245 489746074 /nfs/dbraw/zinc/74/60/74/489746074.db2.gz GIPOKVXFGWRICG-MRXNPFEDSA-N 2 2 369.554 0.351 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000430560245 489746078 /nfs/dbraw/zinc/74/60/78/489746078.db2.gz GIPOKVXFGWRICG-MRXNPFEDSA-N 2 2 369.554 0.351 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)ccc1C ZINC000430569094 489746907 /nfs/dbraw/zinc/74/69/07/489746907.db2.gz IHSQWFNEOHKSPT-MRXNPFEDSA-N 2 2 356.492 0.805 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000570956200 491276240 /nfs/dbraw/zinc/27/62/40/491276240.db2.gz XQGBFGCKBHFJKS-QGZVFWFLSA-N 3 2 361.490 0.165 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000570956200 491276242 /nfs/dbraw/zinc/27/62/42/491276242.db2.gz XQGBFGCKBHFJKS-QGZVFWFLSA-N 3 2 361.490 0.165 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956200 491276245 /nfs/dbraw/zinc/27/62/45/491276245.db2.gz XQGBFGCKBHFJKS-QGZVFWFLSA-N 2 2 361.490 0.165 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956200 491276248 /nfs/dbraw/zinc/27/62/48/491276248.db2.gz XQGBFGCKBHFJKS-QGZVFWFLSA-N 2 2 361.490 0.165 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837420 489747786 /nfs/dbraw/zinc/74/77/86/489747786.db2.gz SUUVEYKGBXDGNE-IRXDYDNUSA-N 2 2 362.474 0.103 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837420 489747790 /nfs/dbraw/zinc/74/77/90/489747790.db2.gz SUUVEYKGBXDGNE-IRXDYDNUSA-N 2 2 362.474 0.103 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000430584465 489748283 /nfs/dbraw/zinc/74/82/83/489748283.db2.gz ZDBWFUYISOSNHO-ZIAGYGMSSA-N 2 2 368.503 0.949 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000430584465 489748287 /nfs/dbraw/zinc/74/82/87/489748287.db2.gz ZDBWFUYISOSNHO-ZIAGYGMSSA-N 2 2 368.503 0.949 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837336 489748291 /nfs/dbraw/zinc/74/82/91/489748291.db2.gz SKEATYIBZCCLJA-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837336 489748295 /nfs/dbraw/zinc/74/82/95/489748295.db2.gz SKEATYIBZCCLJA-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430583634 489748525 /nfs/dbraw/zinc/74/85/25/489748525.db2.gz NNOJDMHKAFGVNU-UHFFFAOYSA-N 2 2 356.492 0.792 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430583634 489748527 /nfs/dbraw/zinc/74/85/27/489748527.db2.gz NNOJDMHKAFGVNU-UHFFFAOYSA-N 2 2 356.492 0.792 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000418838991 489748713 /nfs/dbraw/zinc/74/87/13/489748713.db2.gz WGKCEXSPSRNZJN-AVGNSLFASA-N 2 2 352.435 0.228 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430586329 489749225 /nfs/dbraw/zinc/74/92/25/489749225.db2.gz VYOJXDNZSNJDEF-UHFFFAOYSA-N 2 2 350.463 0.820 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430586329 489749227 /nfs/dbraw/zinc/74/92/27/489749227.db2.gz VYOJXDNZSNJDEF-UHFFFAOYSA-N 2 2 350.463 0.820 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586987 489749261 /nfs/dbraw/zinc/74/92/61/489749261.db2.gz UPGXAOABKHCSRW-SWLSCSKDSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586987 489749264 /nfs/dbraw/zinc/74/92/64/489749264.db2.gz UPGXAOABKHCSRW-SWLSCSKDSA-N 2 2 356.492 0.966 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000430589418 489749300 /nfs/dbraw/zinc/74/93/00/489749300.db2.gz AKMGMABGUSRIGU-ZIAGYGMSSA-N 2 2 368.503 0.901 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000430589418 489749303 /nfs/dbraw/zinc/74/93/03/489749303.db2.gz AKMGMABGUSRIGU-ZIAGYGMSSA-N 2 2 368.503 0.901 20 0 FCADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430594546 489749416 /nfs/dbraw/zinc/74/94/16/489749416.db2.gz KVGWLBSSPRONHA-GOEBONIOSA-N 2 2 359.536 0.732 20 0 FCADLP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000563904488 491276558 /nfs/dbraw/zinc/27/65/58/491276558.db2.gz BAPHKIRMWWWOCR-KRWDZBQOSA-N 2 2 374.485 0.867 20 0 FCADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612884 489753390 /nfs/dbraw/zinc/75/33/90/489753390.db2.gz UOWQEHIIWQVMPH-HOTGVXAUSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612884 489753394 /nfs/dbraw/zinc/75/33/94/489753394.db2.gz UOWQEHIIWQVMPH-HOTGVXAUSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(NCC[N@H+]1CC=CCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000376567543 489755100 /nfs/dbraw/zinc/75/51/00/489755100.db2.gz XCJAWIDALWMXMT-KRWDZBQOSA-N 2 2 354.520 0.755 20 0 FCADLP O=C(NCC[N@@H+]1CC=CCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000376567543 489755104 /nfs/dbraw/zinc/75/51/04/489755104.db2.gz XCJAWIDALWMXMT-KRWDZBQOSA-N 2 2 354.520 0.755 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000555855647 491276904 /nfs/dbraw/zinc/27/69/04/491276904.db2.gz AMABLXFWMSQYLC-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000555855647 491276906 /nfs/dbraw/zinc/27/69/06/491276906.db2.gz AMABLXFWMSQYLC-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000430621037 489756440 /nfs/dbraw/zinc/75/64/40/489756440.db2.gz JAHLSFYTHMAZGL-AEFFLSMTSA-N 2 2 374.485 0.386 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430624760 489757136 /nfs/dbraw/zinc/75/71/36/489757136.db2.gz PNAIRDDABJOWTD-ZIAGYGMSSA-N 2 2 350.438 0.755 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430624760 489757138 /nfs/dbraw/zinc/75/71/38/489757138.db2.gz PNAIRDDABJOWTD-ZIAGYGMSSA-N 2 2 350.438 0.755 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000430628841 489757545 /nfs/dbraw/zinc/75/75/45/489757545.db2.gz VQOJWOCVFLFDBH-OAHLLOKOSA-N 2 2 362.540 0.094 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000430628841 489757549 /nfs/dbraw/zinc/75/75/49/489757549.db2.gz VQOJWOCVFLFDBH-OAHLLOKOSA-N 2 2 362.540 0.094 20 0 FCADLP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638935 489759973 /nfs/dbraw/zinc/75/99/73/489759973.db2.gz GQMWRHJRDQRFTA-ZIAGYGMSSA-N 2 2 351.451 0.811 20 0 FCADLP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638935 489759976 /nfs/dbraw/zinc/75/99/76/489759976.db2.gz GQMWRHJRDQRFTA-ZIAGYGMSSA-N 2 2 351.451 0.811 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000430642291 489761103 /nfs/dbraw/zinc/76/11/03/489761103.db2.gz VFJMINNTAWNTGM-HNNXBMFYSA-N 2 2 350.850 0.809 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000430642291 489761109 /nfs/dbraw/zinc/76/11/09/489761109.db2.gz VFJMINNTAWNTGM-HNNXBMFYSA-N 2 2 350.850 0.809 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)CCC2 ZINC000570971756 491277258 /nfs/dbraw/zinc/27/72/58/491277258.db2.gz MNFKGUSIOHYHRD-HNNXBMFYSA-N 2 2 363.462 0.024 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000430689411 489764943 /nfs/dbraw/zinc/76/49/43/489764943.db2.gz CPYOADISFJAPMV-ZOBUZTSGSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]([NH3+])c1ccccc1 ZINC000430728905 489768045 /nfs/dbraw/zinc/76/80/45/489768045.db2.gz DLVNAXOPEBBEBT-CRAIPNDOSA-N 2 2 357.458 1.490 20 0 FCADLP [NH3+][C@@H]1CC[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430731366 489768129 /nfs/dbraw/zinc/76/81/29/489768129.db2.gz VUURCEIUCWMAPA-DLBZAZTESA-N 2 2 350.507 0.955 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000459856886 489770020 /nfs/dbraw/zinc/77/00/20/489770020.db2.gz BUHZDLZQQHKQFW-MRXNPFEDSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000459856886 489770025 /nfs/dbraw/zinc/77/00/25/489770025.db2.gz BUHZDLZQQHKQFW-MRXNPFEDSA-N 2 2 368.522 0.090 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000459858746 489771212 /nfs/dbraw/zinc/77/12/12/489771212.db2.gz DXSYJUGOYCNPJU-UHFFFAOYSA-N 2 2 373.501 0.839 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@H](C)[NH3+])c2)CC1 ZINC000430859511 489774123 /nfs/dbraw/zinc/77/41/23/489774123.db2.gz WQNZTALVPPHVSK-ZDUSSCGKSA-N 2 2 354.476 0.689 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@H]3c3ccccc3)C[C@@H]21 ZINC000459868599 489774486 /nfs/dbraw/zinc/77/44/86/489774486.db2.gz AZNKULZDUCKRFF-SQNIBIBYSA-N 2 2 356.470 0.664 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@H]3c3ccccc3)C[C@@H]21 ZINC000459868599 489774489 /nfs/dbraw/zinc/77/44/89/489774489.db2.gz AZNKULZDUCKRFF-SQNIBIBYSA-N 2 2 356.470 0.664 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)C[C@@H]21 ZINC000459868599 489774494 /nfs/dbraw/zinc/77/44/94/489774494.db2.gz AZNKULZDUCKRFF-SQNIBIBYSA-N 2 2 356.470 0.664 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430936085 489779523 /nfs/dbraw/zinc/77/95/23/489779523.db2.gz WXYQULCCEPFRNE-HOCLYGCPSA-N 2 2 359.536 0.717 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430936216 489779756 /nfs/dbraw/zinc/77/97/56/489779756.db2.gz XXJIJVTUEBPIOG-ZBFHGGJFSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000430941711 489779949 /nfs/dbraw/zinc/77/99/49/489779949.db2.gz YJNKFBNPKFGTEG-WWGRRREGSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000430941711 489779955 /nfs/dbraw/zinc/77/99/55/489779955.db2.gz YJNKFBNPKFGTEG-WWGRRREGSA-N 2 2 350.438 0.788 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cc(OC)c(OC)cc2OC)C1 ZINC000430946749 489780877 /nfs/dbraw/zinc/78/08/77/489780877.db2.gz XSWRZEUUIBNVEL-CYBMUJFWSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cc(OC)c(OC)cc2OC)C1 ZINC000430946749 489780881 /nfs/dbraw/zinc/78/08/81/489780881.db2.gz XSWRZEUUIBNVEL-CYBMUJFWSA-N 2 2 351.447 0.870 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430951775 489781225 /nfs/dbraw/zinc/78/12/25/489781225.db2.gz NDTRXLRSVSADNR-OLZOCXBDSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430951775 489781229 /nfs/dbraw/zinc/78/12/29/489781229.db2.gz NDTRXLRSVSADNR-OLZOCXBDSA-N 2 2 354.476 0.545 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000459888002 489781683 /nfs/dbraw/zinc/78/16/83/489781683.db2.gz RLZYVLGSWJLMFP-UHFFFAOYSA-N 2 2 358.486 0.885 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000459888002 489781686 /nfs/dbraw/zinc/78/16/86/489781686.db2.gz RLZYVLGSWJLMFP-UHFFFAOYSA-N 2 2 358.486 0.885 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712726 489781919 /nfs/dbraw/zinc/78/19/19/489781919.db2.gz WQIOMOSJCBGGDZ-UKRRQHHQSA-N 2 2 360.449 0.237 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712726 489781925 /nfs/dbraw/zinc/78/19/25/489781925.db2.gz WQIOMOSJCBGGDZ-UKRRQHHQSA-N 2 2 360.449 0.237 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968697 489783331 /nfs/dbraw/zinc/78/33/31/489783331.db2.gz AZOQKFRDGZRLNU-TYNCELHUSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968697 489783334 /nfs/dbraw/zinc/78/33/34/489783334.db2.gz AZOQKFRDGZRLNU-TYNCELHUSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000418906148 489784655 /nfs/dbraw/zinc/78/46/55/489784655.db2.gz FLQWHMRHHSHHHZ-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418908920 489786867 /nfs/dbraw/zinc/78/68/67/489786867.db2.gz IOAWZHNQRHZARM-GOSISDBHSA-N 2 2 374.485 0.393 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418908950 489786944 /nfs/dbraw/zinc/78/69/44/489786944.db2.gz IRJZYRVRSPXHSB-ZWKOTPCHSA-N 2 2 374.485 0.521 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570986852 491278888 /nfs/dbraw/zinc/27/88/88/491278888.db2.gz PUTGTMWNSXOAIB-YXWQFLTLSA-N 2 2 360.458 0.505 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570986852 491278890 /nfs/dbraw/zinc/27/88/90/491278890.db2.gz PUTGTMWNSXOAIB-YXWQFLTLSA-N 2 2 360.458 0.505 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000459912733 489789921 /nfs/dbraw/zinc/78/99/21/489789921.db2.gz BLBCSFPQMHIJRF-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000459912733 489789925 /nfs/dbraw/zinc/78/99/25/489789925.db2.gz BLBCSFPQMHIJRF-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CN1CCO[C@@H]([C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950937 491278945 /nfs/dbraw/zinc/27/89/45/491278945.db2.gz AQCXCUUAXSIZLF-AEFFLSMTSA-N 2 2 366.893 0.733 20 0 FCADLP C[N@H+]1CCO[C@@H]([C@@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950937 491278948 /nfs/dbraw/zinc/27/89/48/491278948.db2.gz AQCXCUUAXSIZLF-AEFFLSMTSA-N 2 2 366.893 0.733 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000459915473 489791053 /nfs/dbraw/zinc/79/10/53/489791053.db2.gz BLDQGJPRGRDIJF-OAHLLOKOSA-N 2 2 362.478 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000459915473 489791056 /nfs/dbraw/zinc/79/10/56/489791056.db2.gz BLDQGJPRGRDIJF-OAHLLOKOSA-N 2 2 362.478 0.169 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000459920927 489794260 /nfs/dbraw/zinc/79/42/60/489794260.db2.gz NRIZCEIXCBEGNV-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000459920927 489794263 /nfs/dbraw/zinc/79/42/63/489794263.db2.gz NRIZCEIXCBEGNV-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000459920927 489794266 /nfs/dbraw/zinc/79/42/66/489794266.db2.gz NRIZCEIXCBEGNV-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000459920927 489794268 /nfs/dbraw/zinc/79/42/68/489794268.db2.gz NRIZCEIXCBEGNV-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H]1C[NH3+] ZINC000418942705 489797890 /nfs/dbraw/zinc/79/78/90/489797890.db2.gz LQOGIPWJYZJMRE-HIFRSBDPSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@H]1C[NH3+] ZINC000418942705 489797895 /nfs/dbraw/zinc/79/78/95/489797895.db2.gz LQOGIPWJYZJMRE-HIFRSBDPSA-N 2 2 364.515 0.808 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C1CCCC1 ZINC000418942021 489798845 /nfs/dbraw/zinc/79/88/45/489798845.db2.gz LIJCFGSJNLUOGP-HNNXBMFYSA-N 2 2 364.515 0.856 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC000418942021 489798850 /nfs/dbraw/zinc/79/88/50/489798850.db2.gz LIJCFGSJNLUOGP-HNNXBMFYSA-N 2 2 364.515 0.856 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945551 489799266 /nfs/dbraw/zinc/79/92/66/489799266.db2.gz PWRDRPUWWBXTHV-TZMCWYRMSA-N 2 2 350.488 0.479 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945551 489799268 /nfs/dbraw/zinc/79/92/68/489799268.db2.gz PWRDRPUWWBXTHV-TZMCWYRMSA-N 2 2 350.488 0.479 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418945525 489799597 /nfs/dbraw/zinc/79/95/97/489799597.db2.gz PSJNCTARFIJSRE-QWHCGFSZSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418945525 489799601 /nfs/dbraw/zinc/79/96/01/489799601.db2.gz PSJNCTARFIJSRE-QWHCGFSZSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000376830510 489802265 /nfs/dbraw/zinc/80/22/65/489802265.db2.gz NNGWSYNGDBUIJH-HUUCEWRRSA-N 2 2 350.467 0.772 20 0 FCADLP Nc1c(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]cnc1-n1cccn1 ZINC000431493940 489807948 /nfs/dbraw/zinc/80/79/48/489807948.db2.gz DQAKPRJQVYKRFL-UHFFFAOYSA-N 2 2 358.450 0.649 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000459994795 489811535 /nfs/dbraw/zinc/81/15/35/489811535.db2.gz WOJCUBKLCIWNHQ-OAHLLOKOSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000459994795 489811540 /nfs/dbraw/zinc/81/15/40/489811540.db2.gz WOJCUBKLCIWNHQ-OAHLLOKOSA-N 2 2 368.522 0.497 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418993188 489812325 /nfs/dbraw/zinc/81/23/25/489812325.db2.gz KQBGBHWFWVCYQP-IBGZPJMESA-N 2 2 355.442 0.673 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418997135 489813300 /nfs/dbraw/zinc/81/33/00/489813300.db2.gz OGCYRZLOOMJKOA-UKRRQHHQSA-N 2 2 357.458 0.965 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419007530 489815908 /nfs/dbraw/zinc/81/59/08/489815908.db2.gz YFAVFHUXRFYRSE-IBGZPJMESA-N 2 2 357.458 0.967 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000460011444 489816846 /nfs/dbraw/zinc/81/68/46/489816846.db2.gz QGNCAERLTADKJA-KRWDZBQOSA-N 2 2 373.501 0.981 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)CC1 ZINC000376919649 489818145 /nfs/dbraw/zinc/81/81/45/489818145.db2.gz OULISQNUVXHFGW-IRXDYDNUSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000460023271 489821461 /nfs/dbraw/zinc/82/14/61/489821461.db2.gz LXDGJLHKBWAXLA-CQSZACIVSA-N 2 2 363.462 0.031 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419033714 489826230 /nfs/dbraw/zinc/82/62/30/489826230.db2.gz YUQLOQYDIYSERM-GJZGRUSLSA-N 2 2 371.416 0.696 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000563985557 491281836 /nfs/dbraw/zinc/28/18/36/491281836.db2.gz FMYOVJYSROBPKM-GJZGRUSLSA-N 2 2 365.478 0.290 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000563985557 491281837 /nfs/dbraw/zinc/28/18/37/491281837.db2.gz FMYOVJYSROBPKM-GJZGRUSLSA-N 2 2 365.478 0.290 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000492657210 489834270 /nfs/dbraw/zinc/83/42/70/489834270.db2.gz JMHAWWSHVDTGDO-INIZCTEOSA-N 2 2 373.501 0.649 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000563985553 491282092 /nfs/dbraw/zinc/28/20/92/491282092.db2.gz FMYOVJYSROBPKM-CABCVRRESA-N 2 2 365.478 0.290 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000563985553 491282094 /nfs/dbraw/zinc/28/20/94/491282094.db2.gz FMYOVJYSROBPKM-CABCVRRESA-N 2 2 365.478 0.290 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)[C@@H](C)C[NH2+]1 ZINC000419055279 489837520 /nfs/dbraw/zinc/83/75/20/489837520.db2.gz ATBCOEUORXGZHQ-WWGRRREGSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000432362797 489839438 /nfs/dbraw/zinc/83/94/38/489839438.db2.gz PDJLFTNTGZBFAU-QGZVFWFLSA-N 2 2 362.522 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000432362797 489839442 /nfs/dbraw/zinc/83/94/42/489839442.db2.gz PDJLFTNTGZBFAU-QGZVFWFLSA-N 2 2 362.522 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNCc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000432362797 489839448 /nfs/dbraw/zinc/83/94/48/489839448.db2.gz PDJLFTNTGZBFAU-QGZVFWFLSA-N 2 2 362.522 0.819 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(F)c1 ZINC000419070095 489844627 /nfs/dbraw/zinc/84/46/27/489844627.db2.gz GTEDRDXVHKFNTE-KBMXLJTQSA-N 2 2 371.416 0.585 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000460239213 489857195 /nfs/dbraw/zinc/85/71/95/489857195.db2.gz ZABLJMSWNYTWHE-LJQANCHMSA-N 2 2 357.458 0.840 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000460239213 489857199 /nfs/dbraw/zinc/85/71/99/489857199.db2.gz ZABLJMSWNYTWHE-LJQANCHMSA-N 2 2 357.458 0.840 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000419110716 489858998 /nfs/dbraw/zinc/85/89/98/489858998.db2.gz CMEYSORJDYIBFO-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000419111158 489859776 /nfs/dbraw/zinc/85/97/76/489859776.db2.gz CWQYPYONAOKGJX-KRWDZBQOSA-N 2 2 368.522 0.308 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419111581 489860128 /nfs/dbraw/zinc/86/01/28/489860128.db2.gz DRLAZYVKQRXYEC-VXGBXAGGSA-N 2 2 361.833 0.672 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419111578 489860168 /nfs/dbraw/zinc/86/01/68/489860168.db2.gz DRLAZYVKQRXYEC-NEPJUHHUSA-N 2 2 361.833 0.672 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419114027 489860931 /nfs/dbraw/zinc/86/09/31/489860931.db2.gz HLFZQBIENBQXPL-DLBZAZTESA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419115100 489861535 /nfs/dbraw/zinc/86/15/35/489861535.db2.gz JKIXFHRTQILPMM-BRWVUGGUSA-N 2 2 368.522 0.435 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419117599 489862354 /nfs/dbraw/zinc/86/23/54/489862354.db2.gz MJBUIHDXPHJELJ-ARFHVFGLSA-N 2 2 354.495 0.106 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000419115740 489862808 /nfs/dbraw/zinc/86/28/08/489862808.db2.gz KIEDRYFCYSKFLX-ARFHVFGLSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419117601 489862882 /nfs/dbraw/zinc/86/28/82/489862882.db2.gz MJBUIHDXPHJELJ-HRCADAONSA-N 2 2 354.495 0.106 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419120540 489864994 /nfs/dbraw/zinc/86/49/94/489864994.db2.gz QPMIIOJHHSELMP-IXDOHACOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120485 489865319 /nfs/dbraw/zinc/86/53/19/489865319.db2.gz QLANYBMBGFXENB-ARFHVFGLSA-N 2 2 354.495 0.093 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419125076 489868912 /nfs/dbraw/zinc/86/89/12/489868912.db2.gz YVVUGSTVCQOHAG-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[C@@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433192636 489870824 /nfs/dbraw/zinc/87/08/24/489870824.db2.gz LZNRIKUASJAICX-LJQANCHMSA-N 2 2 368.522 0.234 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419992620 489875733 /nfs/dbraw/zinc/87/57/33/489875733.db2.gz LPCQFERRRAMBBO-AWEZNQCLSA-N 2 2 350.438 0.714 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419992620 489875735 /nfs/dbraw/zinc/87/57/35/489875735.db2.gz LPCQFERRRAMBBO-AWEZNQCLSA-N 2 2 350.438 0.714 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000419995686 489876725 /nfs/dbraw/zinc/87/67/25/489876725.db2.gz IMSVGSHJDMPCGI-HUUCEWRRSA-N 2 2 362.474 0.581 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000419995686 489876731 /nfs/dbraw/zinc/87/67/31/489876731.db2.gz IMSVGSHJDMPCGI-HUUCEWRRSA-N 2 2 362.474 0.581 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433334985 489876924 /nfs/dbraw/zinc/87/69/24/489876924.db2.gz JQIIVYMRRSPVPL-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433334985 489876927 /nfs/dbraw/zinc/87/69/27/489876927.db2.gz JQIIVYMRRSPVPL-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000494234676 489877005 /nfs/dbraw/zinc/87/70/05/489877005.db2.gz QTCBMZPXRAVABP-FZKQIMNGSA-N 2 2 373.461 0.169 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420005535 489879368 /nfs/dbraw/zinc/87/93/68/489879368.db2.gz WQQUNOBKEIWXBV-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420005535 489879373 /nfs/dbraw/zinc/87/93/73/489879373.db2.gz WQQUNOBKEIWXBV-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420016527 489881755 /nfs/dbraw/zinc/88/17/55/489881755.db2.gz MYNPSZUHXUGCLV-ZWKOTPCHSA-N 2 2 358.486 0.965 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420020113 489882633 /nfs/dbraw/zinc/88/26/33/489882633.db2.gz RPNLTZIILOCIAN-RDJZCZTQSA-N 3 2 367.538 0.105 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420020113 489882636 /nfs/dbraw/zinc/88/26/36/489882636.db2.gz RPNLTZIILOCIAN-RDJZCZTQSA-N 3 2 367.538 0.105 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3([NH3+])CCC3)c2)CC1 ZINC000571090304 491285109 /nfs/dbraw/zinc/28/51/09/491285109.db2.gz PZSJXJMBAOQQFX-UHFFFAOYSA-N 2 2 366.487 0.833 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420023090 489884473 /nfs/dbraw/zinc/88/44/73/489884473.db2.gz WXDVOHKIKBYIMQ-ARFHVFGLSA-N 2 2 361.490 0.835 20 0 FCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000476526316 489897217 /nfs/dbraw/zinc/89/72/17/489897217.db2.gz SOSYHAIEKOZBJM-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000420059767 489898150 /nfs/dbraw/zinc/89/81/50/489898150.db2.gz GROVWQHGANKBHG-SFHVURJKSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420067444 489901030 /nfs/dbraw/zinc/90/10/30/489901030.db2.gz YANBYUPEVDKCHK-CRAIPNDOSA-N 2 2 373.501 0.921 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)c1 ZINC000420088950 489908517 /nfs/dbraw/zinc/90/85/17/489908517.db2.gz IWYOBFARWKYHHI-OAHLLOKOSA-N 2 2 374.485 0.898 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420094179 489910542 /nfs/dbraw/zinc/91/05/42/489910542.db2.gz HFEZQCJGBPLPOF-RVKKMQEKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420094179 489910545 /nfs/dbraw/zinc/91/05/45/489910545.db2.gz HFEZQCJGBPLPOF-RVKKMQEKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@](O)(CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1)C[NH+]1CCOCC1 ZINC000434078096 489911227 /nfs/dbraw/zinc/91/12/27/489911227.db2.gz AWHNCKJVGSTPGF-MAUKXSAKSA-N 2 2 365.478 0.323 20 0 FCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000377503130 489912371 /nfs/dbraw/zinc/91/23/71/489912371.db2.gz AUBBJBHANUEVIC-UHFFFAOYSA-N 2 2 357.458 0.926 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434096659 489912606 /nfs/dbraw/zinc/91/26/06/489912606.db2.gz WZFKWCJUKAJFTM-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420110370 489915309 /nfs/dbraw/zinc/91/53/09/489915309.db2.gz FQNOEXMBFUOGGS-SOLBZPMBSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420110370 489915312 /nfs/dbraw/zinc/91/53/12/489915312.db2.gz FQNOEXMBFUOGGS-SOLBZPMBSA-N 2 2 358.486 0.834 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420116537 489917944 /nfs/dbraw/zinc/91/79/44/489917944.db2.gz HEKHQFULSKOYIS-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420116540 489918368 /nfs/dbraw/zinc/91/83/68/489918368.db2.gz HEKHQFULSKOYIS-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000434410100 489926329 /nfs/dbraw/zinc/92/63/29/489926329.db2.gz AYUQZDGSMYCDFK-QGZVFWFLSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000434410100 489926332 /nfs/dbraw/zinc/92/63/32/489926332.db2.gz AYUQZDGSMYCDFK-QGZVFWFLSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000434410100 489926336 /nfs/dbraw/zinc/92/63/36/489926336.db2.gz AYUQZDGSMYCDFK-QGZVFWFLSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000434427777 489927346 /nfs/dbraw/zinc/92/73/46/489927346.db2.gz FOXRNDQZGCWCFH-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000434427777 489927353 /nfs/dbraw/zinc/92/73/53/489927353.db2.gz FOXRNDQZGCWCFH-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000564105677 491289056 /nfs/dbraw/zinc/28/90/56/491289056.db2.gz FLYXTQSFQFZOBT-HOTGVXAUSA-N 2 2 363.462 0.149 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315055 489934797 /nfs/dbraw/zinc/93/47/97/489934797.db2.gz SPXJETVUFKZGMF-RDJZCZTQSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315055 489934801 /nfs/dbraw/zinc/93/48/01/489934801.db2.gz SPXJETVUFKZGMF-RDJZCZTQSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000495315055 489934804 /nfs/dbraw/zinc/93/48/04/489934804.db2.gz SPXJETVUFKZGMF-RDJZCZTQSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000495315055 489934806 /nfs/dbraw/zinc/93/48/06/489934806.db2.gz SPXJETVUFKZGMF-RDJZCZTQSA-N 2 2 366.506 0.333 20 0 FCADLP CN(C(=O)c1ccnc(-n2cncn2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638344 489936411 /nfs/dbraw/zinc/93/64/11/489936411.db2.gz YZHHKKLZJCLHFX-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccnc(-n2cncn2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638344 489936412 /nfs/dbraw/zinc/93/64/12/489936412.db2.gz YZHHKKLZJCLHFX-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420168036 489938217 /nfs/dbraw/zinc/93/82/17/489938217.db2.gz PWVNBMICAPODLC-CVEARBPZSA-N 2 2 360.458 0.956 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000477088867 489940411 /nfs/dbraw/zinc/94/04/11/489940411.db2.gz YZPGDHFSDWPJFB-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000434647508 489942140 /nfs/dbraw/zinc/94/21/40/489942140.db2.gz HCZKHPWYNSTGNI-HNNXBMFYSA-N 2 2 371.441 0.439 20 0 FCADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000434647508 489942142 /nfs/dbraw/zinc/94/21/42/489942142.db2.gz HCZKHPWYNSTGNI-HNNXBMFYSA-N 2 2 371.441 0.439 20 0 FCADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000434647509 489942202 /nfs/dbraw/zinc/94/22/02/489942202.db2.gz HCZKHPWYNSTGNI-OAHLLOKOSA-N 2 2 371.441 0.439 20 0 FCADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000434647509 489942205 /nfs/dbraw/zinc/94/22/05/489942205.db2.gz HCZKHPWYNSTGNI-OAHLLOKOSA-N 2 2 371.441 0.439 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420183023 489943345 /nfs/dbraw/zinc/94/33/45/489943345.db2.gz KWYOATQICATKOH-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420183023 489943349 /nfs/dbraw/zinc/94/33/49/489943349.db2.gz KWYOATQICATKOH-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP [NH3+]CC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000571169249 491290122 /nfs/dbraw/zinc/29/01/22/491290122.db2.gz HFYCABVYYJXPBO-UHFFFAOYSA-N 3 2 352.504 0.178 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000571170119 491290253 /nfs/dbraw/zinc/29/02/53/491290253.db2.gz QOCZPKOLCVPXCE-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000571170119 491290255 /nfs/dbraw/zinc/29/02/55/491290255.db2.gz QOCZPKOLCVPXCE-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000462019950 489951040 /nfs/dbraw/zinc/95/10/40/489951040.db2.gz GLPYXYCILMGOHQ-OAHLLOKOSA-N 2 2 350.507 0.918 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420215018 489954856 /nfs/dbraw/zinc/95/48/56/489954856.db2.gz VXOIGQIKLHEJNC-KBPBESRZSA-N 2 2 350.488 0.636 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CCC[C@H]([NH3+])C3)nc2)CC1 ZINC000420291698 489960291 /nfs/dbraw/zinc/96/02/91/489960291.db2.gz VYRBEPUHSCEITD-CABCVRRESA-N 2 2 367.519 0.947 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307355 489961190 /nfs/dbraw/zinc/96/11/90/489961190.db2.gz LYJYCUDTNXRSII-QWHCGFSZSA-N 2 2 362.396 0.436 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307355 489961193 /nfs/dbraw/zinc/96/11/93/489961193.db2.gz LYJYCUDTNXRSII-QWHCGFSZSA-N 2 2 362.396 0.436 20 0 FCADLP Cc1oc2nc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)nc(N)c2c1C ZINC000420302795 489961818 /nfs/dbraw/zinc/96/18/18/489961818.db2.gz GOLXZGJSTPOHMB-CYBMUJFWSA-N 2 2 358.446 0.818 20 0 FCADLP Cc1oc2nc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)nc(N)c2c1C ZINC000420302795 489961820 /nfs/dbraw/zinc/96/18/20/489961820.db2.gz GOLXZGJSTPOHMB-CYBMUJFWSA-N 2 2 358.446 0.818 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462266599 489964124 /nfs/dbraw/zinc/96/41/24/489964124.db2.gz GCNDVEWFBQOOBF-CQSZACIVSA-N 2 2 352.435 0.036 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000477430543 489964679 /nfs/dbraw/zinc/96/46/79/489964679.db2.gz OKOIBJRAODCNAY-MRXNPFEDSA-N 2 2 353.511 0.176 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000477430543 489964682 /nfs/dbraw/zinc/96/46/82/489964682.db2.gz OKOIBJRAODCNAY-MRXNPFEDSA-N 2 2 353.511 0.176 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420353428 489967682 /nfs/dbraw/zinc/96/76/82/489967682.db2.gz AMCAXEUJQYSZTK-JUFZMCDQSA-N 2 2 354.476 0.637 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1C ZINC000420372051 489968311 /nfs/dbraw/zinc/96/83/11/489968311.db2.gz XTAPLQRHLZIEPT-OAHLLOKOSA-N 2 2 368.503 0.819 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000420373298 489968947 /nfs/dbraw/zinc/96/89/47/489968947.db2.gz GAEANMIKSNDTRC-JQHSSLGASA-N 3 2 352.523 0.757 20 0 FCADLP C[NH2+]CCCN(C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000420384121 489969299 /nfs/dbraw/zinc/96/92/99/489969299.db2.gz CSRPRGAJBQTQJN-UHFFFAOYSA-N 2 2 360.502 0.807 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420396330 489971235 /nfs/dbraw/zinc/97/12/35/489971235.db2.gz VSGROFUZQAFQER-JKSUJKDBSA-N 2 2 362.474 0.479 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420396330 489971238 /nfs/dbraw/zinc/97/12/38/489971238.db2.gz VSGROFUZQAFQER-JKSUJKDBSA-N 2 2 362.474 0.479 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396502 489971905 /nfs/dbraw/zinc/97/19/05/489971905.db2.gz FJQYGUPDRVFUOV-YPMHNXCESA-N 2 2 354.476 0.498 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396502 489971909 /nfs/dbraw/zinc/97/19/09/489971909.db2.gz FJQYGUPDRVFUOV-YPMHNXCESA-N 2 2 354.476 0.498 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462392658 489973397 /nfs/dbraw/zinc/97/33/97/489973397.db2.gz GCUSUKYIILMIIC-WBMJQRKESA-N 2 2 352.460 0.346 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462392658 489973400 /nfs/dbraw/zinc/97/34/00/489973400.db2.gz GCUSUKYIILMIIC-WBMJQRKESA-N 2 2 352.460 0.346 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416281 489973449 /nfs/dbraw/zinc/97/34/49/489973449.db2.gz VRLIRGHMNWNNJL-CABCVRRESA-N 2 2 362.474 0.820 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416281 489973451 /nfs/dbraw/zinc/97/34/51/489973451.db2.gz VRLIRGHMNWNNJL-CABCVRRESA-N 2 2 362.474 0.820 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462397924 489973821 /nfs/dbraw/zinc/97/38/21/489973821.db2.gz WKMGEFMFLOANOC-LRDDRELGSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462397924 489973824 /nfs/dbraw/zinc/97/38/24/489973824.db2.gz WKMGEFMFLOANOC-LRDDRELGSA-N 2 2 352.460 0.346 20 0 FCADLP C[N@H+](CCN1CCOC(C)(C)C1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435050178 489979483 /nfs/dbraw/zinc/97/94/83/489979483.db2.gz KFCFFHKLTUGXSB-UHFFFAOYSA-N 2 2 362.522 0.771 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435050178 489979492 /nfs/dbraw/zinc/97/94/92/489979492.db2.gz KFCFFHKLTUGXSB-UHFFFAOYSA-N 2 2 362.522 0.771 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435050178 489979494 /nfs/dbraw/zinc/97/94/94/489979494.db2.gz KFCFFHKLTUGXSB-UHFFFAOYSA-N 2 2 362.522 0.771 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435231970 489990848 /nfs/dbraw/zinc/99/08/48/489990848.db2.gz HOWJBGULHPFZFQ-AWEZNQCLSA-N 2 2 352.460 0.489 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435231970 489990850 /nfs/dbraw/zinc/99/08/50/489990850.db2.gz HOWJBGULHPFZFQ-AWEZNQCLSA-N 2 2 352.460 0.489 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378003117 489994529 /nfs/dbraw/zinc/99/45/29/489994529.db2.gz LYUKMSMEEGQRPL-AWEZNQCLSA-N 3 2 353.511 0.698 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000463414133 490015627 /nfs/dbraw/zinc/01/56/27/490015627.db2.gz MQYYRXCKDSNJHY-KRWDZBQOSA-N 2 2 359.536 0.893 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000463414133 490015631 /nfs/dbraw/zinc/01/56/31/490015631.db2.gz MQYYRXCKDSNJHY-KRWDZBQOSA-N 2 2 359.536 0.893 20 0 FCADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)CN1CCOCC1 ZINC000420919287 490032097 /nfs/dbraw/zinc/03/20/97/490032097.db2.gz YXIKQMWHSLHZPD-FQEVSTJZSA-N 2 2 363.502 0.644 20 0 FCADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)CN1CCOCC1 ZINC000420919287 490032102 /nfs/dbraw/zinc/03/21/02/490032102.db2.gz YXIKQMWHSLHZPD-FQEVSTJZSA-N 2 2 363.502 0.644 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000478798615 490038530 /nfs/dbraw/zinc/03/85/30/490038530.db2.gz HGGREYPTJVUIQC-HUUCEWRRSA-N 2 2 362.478 0.215 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000478798615 490038534 /nfs/dbraw/zinc/03/85/34/490038534.db2.gz HGGREYPTJVUIQC-HUUCEWRRSA-N 2 2 362.478 0.215 20 0 FCADLP COc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283893 490039265 /nfs/dbraw/zinc/03/92/65/490039265.db2.gz PMGYKPAJCULSLJ-OCCSQVGLSA-N 2 2 355.398 0.945 20 0 FCADLP COc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283893 490039269 /nfs/dbraw/zinc/03/92/69/490039269.db2.gz PMGYKPAJCULSLJ-OCCSQVGLSA-N 2 2 355.398 0.945 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823418 490039640 /nfs/dbraw/zinc/03/96/40/490039640.db2.gz LXSNUHUYVZXBNN-CVEARBPZSA-N 2 2 361.490 0.802 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823418 490039643 /nfs/dbraw/zinc/03/96/43/490039643.db2.gz LXSNUHUYVZXBNN-CVEARBPZSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000556109540 491295619 /nfs/dbraw/zinc/29/56/19/491295619.db2.gz JISYKAXZAHJUHH-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000421134122 490048751 /nfs/dbraw/zinc/04/87/51/490048751.db2.gz XCLSYBXILRPXSX-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000421134122 490048755 /nfs/dbraw/zinc/04/87/55/490048755.db2.gz XCLSYBXILRPXSX-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000421134122 490048761 /nfs/dbraw/zinc/04/87/61/490048761.db2.gz XCLSYBXILRPXSX-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000421134122 490048765 /nfs/dbraw/zinc/04/87/65/490048765.db2.gz XCLSYBXILRPXSX-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[C@@H]1CCSC1 ZINC000478960432 490057158 /nfs/dbraw/zinc/05/71/58/490057158.db2.gz STQQSXHOKLYKRN-HZPDHXFCSA-N 2 2 357.520 0.373 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[C@@H]1CCSC1 ZINC000478960432 490057163 /nfs/dbraw/zinc/05/71/63/490057163.db2.gz STQQSXHOKLYKRN-HZPDHXFCSA-N 2 2 357.520 0.373 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421208369 490057242 /nfs/dbraw/zinc/05/72/42/490057242.db2.gz XRFZEISWUPGHII-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421208369 490057245 /nfs/dbraw/zinc/05/72/45/490057245.db2.gz XRFZEISWUPGHII-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000479018539 490062029 /nfs/dbraw/zinc/06/20/29/490062029.db2.gz YSFWELZWWCQSAW-KRWDZBQOSA-N 2 2 369.469 0.984 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000479018539 490062031 /nfs/dbraw/zinc/06/20/31/490062031.db2.gz YSFWELZWWCQSAW-KRWDZBQOSA-N 2 2 369.469 0.984 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCNC(=O)c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000571267984 491296936 /nfs/dbraw/zinc/29/69/36/491296936.db2.gz CYQGEHUKMGXQFZ-OAHLLOKOSA-N 2 2 351.426 0.230 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCNC(=O)c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000571267984 491296938 /nfs/dbraw/zinc/29/69/38/491296938.db2.gz CYQGEHUKMGXQFZ-OAHLLOKOSA-N 2 2 351.426 0.230 20 0 FCADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482455 490070766 /nfs/dbraw/zinc/07/07/66/490070766.db2.gz MENMHALUHPJRLV-GOEBONIOSA-N 2 2 351.447 0.636 20 0 FCADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000378482455 490070772 /nfs/dbraw/zinc/07/07/72/490070772.db2.gz MENMHALUHPJRLV-GOEBONIOSA-N 2 2 351.447 0.636 20 0 FCADLP CCOC1CC(CNC(=O)NCCn2cc[nH+]c2C)([NH+]2CCOCC2)C1 ZINC000444126233 490077651 /nfs/dbraw/zinc/07/76/51/490077651.db2.gz AHCHNSVIGCVRIW-UHFFFAOYSA-N 2 2 365.478 0.761 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)C1CC1 ZINC000519791775 490086003 /nfs/dbraw/zinc/08/60/03/490086003.db2.gz QQTWUNPUYXDEGV-GOSISDBHSA-N 2 2 352.523 0.462 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)C1CC1 ZINC000519791775 490086011 /nfs/dbraw/zinc/08/60/11/490086011.db2.gz QQTWUNPUYXDEGV-GOSISDBHSA-N 2 2 352.523 0.462 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000495788130 490093494 /nfs/dbraw/zinc/09/34/94/490093494.db2.gz IRMSLUFLKQIWDR-UHFFFAOYSA-N 2 2 367.494 0.145 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000495788130 490093496 /nfs/dbraw/zinc/09/34/96/490093496.db2.gz IRMSLUFLKQIWDR-UHFFFAOYSA-N 2 2 367.494 0.145 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000519832584 490094303 /nfs/dbraw/zinc/09/43/03/490094303.db2.gz IWCWJYPBXPUKIS-RDJZCZTQSA-N 2 2 360.458 0.334 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000519832584 490094312 /nfs/dbraw/zinc/09/43/12/490094312.db2.gz IWCWJYPBXPUKIS-RDJZCZTQSA-N 2 2 360.458 0.334 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000532783748 490115382 /nfs/dbraw/zinc/11/53/82/490115382.db2.gz LKBVHRDWAQTJBC-OAHLLOKOSA-N 2 2 356.430 0.989 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)CC1 ZINC000422025903 490128347 /nfs/dbraw/zinc/12/83/47/490128347.db2.gz SSTUBAXTBNLSIK-GOSISDBHSA-N 3 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)CC1 ZINC000422025903 490128351 /nfs/dbraw/zinc/12/83/51/490128351.db2.gz SSTUBAXTBNLSIK-GOSISDBHSA-N 3 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC000422025903 490128358 /nfs/dbraw/zinc/12/83/58/490128358.db2.gz SSTUBAXTBNLSIK-GOSISDBHSA-N 3 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC000422025903 490128362 /nfs/dbraw/zinc/12/83/62/490128362.db2.gz SSTUBAXTBNLSIK-GOSISDBHSA-N 3 2 352.523 0.726 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000465536200 490128418 /nfs/dbraw/zinc/12/84/18/490128418.db2.gz ACYQUSDBSNZQJS-UHFFFAOYSA-N 2 2 350.467 0.481 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)(C)C ZINC000479881628 490132824 /nfs/dbraw/zinc/13/28/24/490132824.db2.gz BSXXXBVHBAAXBK-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000465635459 490134417 /nfs/dbraw/zinc/13/44/17/490134417.db2.gz RASXWVHEAUOSRV-HNNXBMFYSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000389906237 490135844 /nfs/dbraw/zinc/13/58/44/490135844.db2.gz HCYUDVHIRJREAF-KBMXLJTQSA-N 2 2 353.488 0.385 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000389906237 490135854 /nfs/dbraw/zinc/13/58/54/490135854.db2.gz HCYUDVHIRJREAF-KBMXLJTQSA-N 2 2 353.488 0.385 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000479915968 490137580 /nfs/dbraw/zinc/13/75/80/490137580.db2.gz LECNUEQFRURQDH-INIZCTEOSA-N 2 2 370.538 0.650 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000392071213 490146427 /nfs/dbraw/zinc/14/64/27/490146427.db2.gz HZOJEBBCFDYBJH-HZPDHXFCSA-N 2 2 353.488 0.702 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000465863800 490149007 /nfs/dbraw/zinc/14/90/07/490149007.db2.gz RYHDHLRYQVHCFH-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000465863800 490149012 /nfs/dbraw/zinc/14/90/12/490149012.db2.gz RYHDHLRYQVHCFH-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3nc(C4CC4)no3)C2)CC1 ZINC000532986589 490150832 /nfs/dbraw/zinc/15/08/32/490150832.db2.gz DURBIOWWHDNPFY-OAHLLOKOSA-N 2 2 362.478 0.408 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3nc(C4CC4)no3)C2)CC1 ZINC000532986589 490150839 /nfs/dbraw/zinc/15/08/39/490150839.db2.gz DURBIOWWHDNPFY-OAHLLOKOSA-N 2 2 362.478 0.408 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000422102024 490154113 /nfs/dbraw/zinc/15/41/13/490154113.db2.gz FIQFFSDHKGLKRZ-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000422102024 490154120 /nfs/dbraw/zinc/15/41/20/490154120.db2.gz FIQFFSDHKGLKRZ-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864060 490158548 /nfs/dbraw/zinc/15/85/48/490158548.db2.gz NWWKYDCRDZGAAR-KXBFYZLASA-N 2 2 364.465 0.519 20 0 FCADLP C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864060 490158553 /nfs/dbraw/zinc/15/85/53/490158553.db2.gz NWWKYDCRDZGAAR-KXBFYZLASA-N 2 2 364.465 0.519 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000520615436 490171047 /nfs/dbraw/zinc/17/10/47/490171047.db2.gz XHBGUKPQWZNKGX-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000520615436 490171055 /nfs/dbraw/zinc/17/10/55/490171055.db2.gz XHBGUKPQWZNKGX-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000520615436 490171061 /nfs/dbraw/zinc/17/10/61/490171061.db2.gz XHBGUKPQWZNKGX-MRXNPFEDSA-N 2 2 367.538 0.565 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N(C)CC(C)(C)O)CC2)CC1 ZINC000422124970 490175742 /nfs/dbraw/zinc/17/57/42/490175742.db2.gz ZPAKKDICDXUVEC-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N(C)CC(C)(C)O)CC2)CC1 ZINC000422124970 490175751 /nfs/dbraw/zinc/17/57/51/490175751.db2.gz ZPAKKDICDXUVEC-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000520710511 490181603 /nfs/dbraw/zinc/18/16/03/490181603.db2.gz WLWKWEYGSVCTTI-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000520710511 490181610 /nfs/dbraw/zinc/18/16/10/490181610.db2.gz WLWKWEYGSVCTTI-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000520762837 490185389 /nfs/dbraw/zinc/18/53/89/490185389.db2.gz SCIKFCJQRIRFGJ-OAHLLOKOSA-N 2 2 369.491 0.945 20 0 FCADLP CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000520762837 490185395 /nfs/dbraw/zinc/18/53/95/490185395.db2.gz SCIKFCJQRIRFGJ-OAHLLOKOSA-N 2 2 369.491 0.945 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000520768707 490188317 /nfs/dbraw/zinc/18/83/17/490188317.db2.gz ZTBSGTISCCTBNO-YESZJQIVSA-N 2 2 373.505 0.286 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422149079 490191486 /nfs/dbraw/zinc/19/14/86/490191486.db2.gz YILVTLVXOXUSPJ-XHSDSOJGSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422149079 490191496 /nfs/dbraw/zinc/19/14/96/490191496.db2.gz YILVTLVXOXUSPJ-XHSDSOJGSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000422149079 490191506 /nfs/dbraw/zinc/19/15/06/490191506.db2.gz YILVTLVXOXUSPJ-XHSDSOJGSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000422149079 490191517 /nfs/dbraw/zinc/19/15/17/490191517.db2.gz YILVTLVXOXUSPJ-XHSDSOJGSA-N 2 2 354.495 0.107 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000571419202 491306281 /nfs/dbraw/zinc/30/62/81/491306281.db2.gz SSBPQTFQUQBIQB-AEFFLSMTSA-N 2 2 374.485 0.726 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000571419202 491306282 /nfs/dbraw/zinc/30/62/82/491306282.db2.gz SSBPQTFQUQBIQB-AEFFLSMTSA-N 2 2 374.485 0.726 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)[nH+]1 ZINC000447144796 490192234 /nfs/dbraw/zinc/19/22/34/490192234.db2.gz COUCVRJFGZIRHB-CQSZACIVSA-N 2 2 361.446 0.341 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)[nH+]1 ZINC000447144796 490192240 /nfs/dbraw/zinc/19/22/40/490192240.db2.gz COUCVRJFGZIRHB-CQSZACIVSA-N 2 2 361.446 0.341 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000497689798 490195439 /nfs/dbraw/zinc/19/54/39/490195439.db2.gz SPEQYLWWLPCLDO-HZPDHXFCSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000497689798 490195443 /nfs/dbraw/zinc/19/54/43/490195443.db2.gz SPEQYLWWLPCLDO-HZPDHXFCSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000497689798 490195448 /nfs/dbraw/zinc/19/54/48/490195448.db2.gz SPEQYLWWLPCLDO-HZPDHXFCSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000497689798 490195452 /nfs/dbraw/zinc/19/54/52/490195452.db2.gz SPEQYLWWLPCLDO-HZPDHXFCSA-N 2 2 352.479 0.086 20 0 FCADLP CCN(C)C(=O)CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422179946 490197522 /nfs/dbraw/zinc/19/75/22/490197522.db2.gz KTRPUJNCCYZMLY-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CCN(C)C(=O)CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422179946 490197528 /nfs/dbraw/zinc/19/75/28/490197528.db2.gz KTRPUJNCCYZMLY-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP C[NH+](C)CC1(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCC1 ZINC000546154560 490199748 /nfs/dbraw/zinc/19/97/48/490199748.db2.gz JRPXMACCXPRQSE-UHFFFAOYSA-N 2 2 353.511 0.700 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000556274592 491307695 /nfs/dbraw/zinc/30/76/95/491307695.db2.gz YPNJZQUQTNGZHU-WBVHZDCISA-N 2 2 373.501 0.821 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000556274592 491307697 /nfs/dbraw/zinc/30/76/97/491307697.db2.gz YPNJZQUQTNGZHU-WBVHZDCISA-N 2 2 373.501 0.821 20 0 FCADLP COc1ccc2nc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)[nH]c2n1 ZINC000546224741 490210584 /nfs/dbraw/zinc/21/05/84/490210584.db2.gz LYGYBGGUIIOYFV-UHFFFAOYSA-N 2 2 361.446 0.626 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000447254527 490210995 /nfs/dbraw/zinc/21/09/95/490210995.db2.gz BTXPRFNJDMQOHA-IAYULZFDSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000447254527 490210998 /nfs/dbraw/zinc/21/09/98/490210998.db2.gz BTXPRFNJDMQOHA-IAYULZFDSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000447254527 490211002 /nfs/dbraw/zinc/21/10/02/490211002.db2.gz BTXPRFNJDMQOHA-IAYULZFDSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000447254527 490211007 /nfs/dbraw/zinc/21/10/07/490211007.db2.gz BTXPRFNJDMQOHA-IAYULZFDSA-N 2 2 370.490 0.609 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000447308613 490219306 /nfs/dbraw/zinc/21/93/06/490219306.db2.gz GFJMUVVRDYTRRD-HOTGVXAUSA-N 2 2 370.490 0.898 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000447308613 490219318 /nfs/dbraw/zinc/21/93/18/490219318.db2.gz GFJMUVVRDYTRRD-HOTGVXAUSA-N 2 2 370.490 0.898 20 0 FCADLP COC(=O)COc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000521228142 490238758 /nfs/dbraw/zinc/23/87/58/490238758.db2.gz MCFZRNFYHXQMRJ-ZOBUZTSGSA-N 2 2 366.458 0.798 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000556331680 491310031 /nfs/dbraw/zinc/31/00/31/491310031.db2.gz MMHULWSKKDVVLK-UHFFFAOYSA-N 2 2 361.421 0.876 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000422301071 490243407 /nfs/dbraw/zinc/24/34/07/490243407.db2.gz WFKWXZIWVCYTIK-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000422301071 490243420 /nfs/dbraw/zinc/24/34/20/490243420.db2.gz WFKWXZIWVCYTIK-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000521448571 490263493 /nfs/dbraw/zinc/26/34/93/490263493.db2.gz KUDJKEJBYKVSFU-INIZCTEOSA-N 2 2 354.495 0.047 20 0 FCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498165379 490266327 /nfs/dbraw/zinc/26/63/27/490266327.db2.gz HXDKJJSWNUARBU-WDBKCZKBSA-N 2 2 356.829 0.791 20 0 FCADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498165379 490266333 /nfs/dbraw/zinc/26/63/33/490266333.db2.gz HXDKJJSWNUARBU-WDBKCZKBSA-N 2 2 356.829 0.791 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000571520457 491313140 /nfs/dbraw/zinc/31/31/40/491313140.db2.gz DAQMIRPDLJOSQO-HNNXBMFYSA-N 2 2 373.436 0.957 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000571520457 491313142 /nfs/dbraw/zinc/31/31/42/491313142.db2.gz DAQMIRPDLJOSQO-HNNXBMFYSA-N 2 2 373.436 0.957 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000547210862 490271062 /nfs/dbraw/zinc/27/10/62/490271062.db2.gz VDHJBALIVGGZDR-HNNXBMFYSA-N 2 2 357.462 0.802 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000547210862 490271065 /nfs/dbraw/zinc/27/10/65/490271065.db2.gz VDHJBALIVGGZDR-HNNXBMFYSA-N 2 2 357.462 0.802 20 0 FCADLP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000507851697 490271181 /nfs/dbraw/zinc/27/11/81/490271181.db2.gz LZCUEVAWMWAENK-SFHVURJKSA-N 2 2 366.550 0.973 20 0 FCADLP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000507851697 490271186 /nfs/dbraw/zinc/27/11/86/490271186.db2.gz LZCUEVAWMWAENK-SFHVURJKSA-N 2 2 366.550 0.973 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CSC)CC2)CC1 ZINC000422355460 490274175 /nfs/dbraw/zinc/27/41/75/490274175.db2.gz RVVKSWORMFXJEY-HNNXBMFYSA-N 2 2 370.563 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CSC)CC2)CC1 ZINC000422355460 490274188 /nfs/dbraw/zinc/27/41/88/490274188.db2.gz RVVKSWORMFXJEY-HNNXBMFYSA-N 2 2 370.563 0.873 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556513466 491317375 /nfs/dbraw/zinc/31/73/75/491317375.db2.gz SLIWELMXJIQISQ-ZSZQSSIHSA-N 2 2 371.485 0.766 20 0 FCADLP CC1(C)C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000447800523 490278807 /nfs/dbraw/zinc/27/88/07/490278807.db2.gz UGAAJSKJIZVUKZ-SFHVURJKSA-N 2 2 361.486 0.838 20 0 FCADLP CC1(C)C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000447800523 490278816 /nfs/dbraw/zinc/27/88/16/490278816.db2.gz UGAAJSKJIZVUKZ-SFHVURJKSA-N 2 2 361.486 0.838 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866183 490293334 /nfs/dbraw/zinc/29/33/34/490293334.db2.gz RIDCAYRBJHZASK-RDJZCZTQSA-N 2 2 355.442 0.813 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866183 490293340 /nfs/dbraw/zinc/29/33/40/490293340.db2.gz RIDCAYRBJHZASK-RDJZCZTQSA-N 2 2 355.442 0.813 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000564609768 491316376 /nfs/dbraw/zinc/31/63/76/491316376.db2.gz GPGXLLZDQKMICD-HZPDHXFCSA-N 2 2 373.432 0.872 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000571591692 491317777 /nfs/dbraw/zinc/31/77/77/491317777.db2.gz MFOGOKDQDRPESR-KRWDZBQOSA-N 2 2 367.538 0.070 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000571591692 491317779 /nfs/dbraw/zinc/31/77/79/491317779.db2.gz MFOGOKDQDRPESR-KRWDZBQOSA-N 2 2 367.538 0.070 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000522019346 490328432 /nfs/dbraw/zinc/32/84/32/490328432.db2.gz DGLWEFHBERQCCY-MRXNPFEDSA-N 2 2 367.515 0.899 20 0 FCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408435779 490336458 /nfs/dbraw/zinc/33/64/58/490336458.db2.gz PNEYMONJPQOCOV-GJZGRUSLSA-N 2 2 367.519 0.547 20 0 FCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408435779 490336460 /nfs/dbraw/zinc/33/64/60/490336460.db2.gz PNEYMONJPQOCOV-GJZGRUSLSA-N 2 2 367.519 0.547 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000564655703 491318796 /nfs/dbraw/zinc/31/87/96/491318796.db2.gz KMJBBIYCLJIIEK-ZWKOTPCHSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000564655703 491318799 /nfs/dbraw/zinc/31/87/99/491318799.db2.gz KMJBBIYCLJIIEK-ZWKOTPCHSA-N 2 2 358.486 0.569 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000534296338 490346068 /nfs/dbraw/zinc/34/60/68/490346068.db2.gz XFYGFHCFIPAPRO-CVEARBPZSA-N 2 2 353.511 0.569 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534296338 490346072 /nfs/dbraw/zinc/34/60/72/490346072.db2.gz XFYGFHCFIPAPRO-CVEARBPZSA-N 2 2 353.511 0.569 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000483901952 490354786 /nfs/dbraw/zinc/35/47/86/490354786.db2.gz ZKYMWLJZEAWERP-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000483901952 490354795 /nfs/dbraw/zinc/35/47/95/490354795.db2.gz ZKYMWLJZEAWERP-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000483901952 490354806 /nfs/dbraw/zinc/35/48/06/490354806.db2.gz ZKYMWLJZEAWERP-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000483901952 490354814 /nfs/dbraw/zinc/35/48/14/490354814.db2.gz ZKYMWLJZEAWERP-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000422491286 490356749 /nfs/dbraw/zinc/35/67/49/490356749.db2.gz TTYDGGDOIIJFGK-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000422491286 490356752 /nfs/dbraw/zinc/35/67/52/490356752.db2.gz TTYDGGDOIIJFGK-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000422491286 490356758 /nfs/dbraw/zinc/35/67/58/490356758.db2.gz TTYDGGDOIIJFGK-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000422491286 490356762 /nfs/dbraw/zinc/35/67/62/490356762.db2.gz TTYDGGDOIIJFGK-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000522220046 490356994 /nfs/dbraw/zinc/35/69/94/490356994.db2.gz BLRDUIRFEDMSTK-INIZCTEOSA-N 2 2 364.494 0.594 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1=O ZINC000534528478 490378056 /nfs/dbraw/zinc/37/80/56/490378056.db2.gz GHJNKIJTYNNIKU-INIZCTEOSA-N 2 2 364.515 0.802 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000564717639 491321853 /nfs/dbraw/zinc/32/18/53/491321853.db2.gz NBNDLJGKEXPSGD-UHFFFAOYSA-N 2 2 362.499 0.818 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000534559470 490381374 /nfs/dbraw/zinc/38/13/74/490381374.db2.gz KVFVSZMCSYVAJI-MRXNPFEDSA-N 2 2 359.474 0.764 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000534559470 490381380 /nfs/dbraw/zinc/38/13/80/490381380.db2.gz KVFVSZMCSYVAJI-MRXNPFEDSA-N 2 2 359.474 0.764 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000534559469 490381550 /nfs/dbraw/zinc/38/15/50/490381550.db2.gz KVFVSZMCSYVAJI-INIZCTEOSA-N 2 2 359.474 0.764 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000534559469 490381556 /nfs/dbraw/zinc/38/15/56/490381556.db2.gz KVFVSZMCSYVAJI-INIZCTEOSA-N 2 2 359.474 0.764 20 0 FCADLP COC1([C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000422530691 490383227 /nfs/dbraw/zinc/38/32/27/490383227.db2.gz RFOBZKPRJAJUBJ-OAHLLOKOSA-N 2 2 368.522 0.545 20 0 FCADLP COC1([C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000422530691 490383232 /nfs/dbraw/zinc/38/32/32/490383232.db2.gz RFOBZKPRJAJUBJ-OAHLLOKOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067131 490384850 /nfs/dbraw/zinc/38/48/50/490384850.db2.gz KCXLZTCSLDYVNU-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067131 490384852 /nfs/dbraw/zinc/38/48/52/490384852.db2.gz KCXLZTCSLDYVNU-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000499124003 490390543 /nfs/dbraw/zinc/39/05/43/490390543.db2.gz JUKDEFCPLNZGGH-SFHVURJKSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000499124003 490390546 /nfs/dbraw/zinc/39/05/46/490390546.db2.gz JUKDEFCPLNZGGH-SFHVURJKSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556513464 491317534 /nfs/dbraw/zinc/31/75/34/491317534.db2.gz SLIWELMXJIQISQ-URLQWDBASA-N 2 2 371.485 0.766 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000484236430 490402077 /nfs/dbraw/zinc/40/20/77/490402077.db2.gz UXILWOLIDMUGOT-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000484236430 490402081 /nfs/dbraw/zinc/40/20/81/490402081.db2.gz UXILWOLIDMUGOT-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000422594794 490419671 /nfs/dbraw/zinc/41/96/71/490419671.db2.gz XFNJXQLXGGJRST-IYBDPMFKSA-N 2 2 362.474 0.930 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000422594794 490419678 /nfs/dbraw/zinc/41/96/78/490419678.db2.gz XFNJXQLXGGJRST-IYBDPMFKSA-N 2 2 362.474 0.930 20 0 FCADLP Cn1cnnc1C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000509393128 490423360 /nfs/dbraw/zinc/42/33/60/490423360.db2.gz NYILGAHJAVSYDJ-UHFFFAOYSA-N 2 2 356.478 0.737 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556654795 491325785 /nfs/dbraw/zinc/32/57/85/491325785.db2.gz OREFAFZFPJDESJ-UHFFFAOYSA-N 2 2 358.446 0.971 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000571744339 491326154 /nfs/dbraw/zinc/32/61/54/491326154.db2.gz JTKOINKHEQYTCM-HLLBOEOZSA-N 2 2 354.520 0.445 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(=O)[nH]c1=O ZINC000422640962 490439633 /nfs/dbraw/zinc/43/96/33/490439633.db2.gz WRKVZHCSRWQEIF-WOPDTQHZSA-N 2 2 351.451 0.429 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(=O)[nH]c1=O ZINC000422640962 490439638 /nfs/dbraw/zinc/43/96/38/490439638.db2.gz WRKVZHCSRWQEIF-WOPDTQHZSA-N 2 2 351.451 0.429 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000509719400 490456597 /nfs/dbraw/zinc/45/65/97/490456597.db2.gz GMRZWNSHWLYWOT-MRXNPFEDSA-N 2 2 364.446 0.146 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000509719400 490456605 /nfs/dbraw/zinc/45/66/05/490456605.db2.gz GMRZWNSHWLYWOT-MRXNPFEDSA-N 2 2 364.446 0.146 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714587 490464904 /nfs/dbraw/zinc/46/49/04/490464904.db2.gz LDHSXUOMQFSXBH-ROUUACIJSA-N 3 2 362.522 0.735 20 0 FCADLP CC(C)OC[C@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448163 490465659 /nfs/dbraw/zinc/46/56/59/490465659.db2.gz KODVIZHJUSCRPH-MRXNPFEDSA-N 2 2 365.478 0.221 20 0 FCADLP CCNC(=O)C[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509845727 490470424 /nfs/dbraw/zinc/47/04/24/490470424.db2.gz FZVYOBKHDBATEH-UHFFFAOYSA-N 2 2 373.545 0.952 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000535263578 490470559 /nfs/dbraw/zinc/47/05/59/490470559.db2.gz AEBPHIBVNYPUNS-HOTGVXAUSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000535263578 490470569 /nfs/dbraw/zinc/47/05/69/490470569.db2.gz AEBPHIBVNYPUNS-HOTGVXAUSA-N 2 2 361.494 0.381 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484888854 490475339 /nfs/dbraw/zinc/47/53/39/490475339.db2.gz BENGBUAOWMPNOK-MLHJIOFPSA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484888854 490475346 /nfs/dbraw/zinc/47/53/46/490475346.db2.gz BENGBUAOWMPNOK-MLHJIOFPSA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484888854 490475358 /nfs/dbraw/zinc/47/53/58/490475358.db2.gz BENGBUAOWMPNOK-MLHJIOFPSA-N 2 2 352.523 0.676 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000523604497 490478275 /nfs/dbraw/zinc/47/82/75/490478275.db2.gz YBEPVHGNYHSKPY-UHFFFAOYSA-N 2 2 369.554 0.768 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000523604497 490478277 /nfs/dbraw/zinc/47/82/77/490478277.db2.gz YBEPVHGNYHSKPY-UHFFFAOYSA-N 2 2 369.554 0.768 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000484919633 490478682 /nfs/dbraw/zinc/47/86/82/490478682.db2.gz UUAPTKVTOTUOCW-STQMWFEESA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000484919633 490478689 /nfs/dbraw/zinc/47/86/89/490478689.db2.gz UUAPTKVTOTUOCW-STQMWFEESA-N 2 2 354.476 0.558 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000564837306 491329922 /nfs/dbraw/zinc/32/99/22/491329922.db2.gz PNSIPAXGCYCNPV-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000535381089 490486682 /nfs/dbraw/zinc/48/66/82/490486682.db2.gz UGCPAJZFBWWDBG-IBGZPJMESA-N 2 2 362.518 0.796 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000535381089 490486686 /nfs/dbraw/zinc/48/66/86/490486686.db2.gz UGCPAJZFBWWDBG-IBGZPJMESA-N 2 2 362.518 0.796 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)[C@H](C)C1 ZINC000523750869 490492191 /nfs/dbraw/zinc/49/21/91/490492191.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)[C@H](C)C1 ZINC000523750869 490492197 /nfs/dbraw/zinc/49/21/97/490492197.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)[C@H](C)C1 ZINC000523750869 490492204 /nfs/dbraw/zinc/49/22/04/490492204.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)[C@H](C)C1 ZINC000523750869 490492209 /nfs/dbraw/zinc/49/22/09/490492209.db2.gz MNXQBRNCRVJNJN-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422915079 490497013 /nfs/dbraw/zinc/49/70/13/490497013.db2.gz XAGUEVWWJSPVJC-QXAKKESOSA-N 2 2 360.502 0.468 20 0 FCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422915079 490497024 /nfs/dbraw/zinc/49/70/24/490497024.db2.gz XAGUEVWWJSPVJC-QXAKKESOSA-N 3 2 360.502 0.468 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413908693 490512886 /nfs/dbraw/zinc/51/28/86/490512886.db2.gz UZWMMUKXRSGDKH-BZUAXINKSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000413908693 490512887 /nfs/dbraw/zinc/51/28/87/490512887.db2.gz UZWMMUKXRSGDKH-BZUAXINKSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908693 490512892 /nfs/dbraw/zinc/51/28/92/490512892.db2.gz UZWMMUKXRSGDKH-BZUAXINKSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908693 490512895 /nfs/dbraw/zinc/51/28/95/490512895.db2.gz UZWMMUKXRSGDKH-BZUAXINKSA-N 2 2 355.479 0.439 20 0 FCADLP C[NH+](C)CCOc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)ccn1 ZINC000535692983 490513557 /nfs/dbraw/zinc/51/35/57/490513557.db2.gz IPWVWJWJZBFRMA-UHFFFAOYSA-N 2 2 367.413 0.928 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000535728414 490518422 /nfs/dbraw/zinc/51/84/22/490518422.db2.gz SXSHOCNWBBJQLF-KRWDZBQOSA-N 2 2 359.474 0.232 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000535728414 490518425 /nfs/dbraw/zinc/51/84/25/490518425.db2.gz SXSHOCNWBBJQLF-KRWDZBQOSA-N 2 2 359.474 0.232 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000535728414 490518427 /nfs/dbraw/zinc/51/84/27/490518427.db2.gz SXSHOCNWBBJQLF-KRWDZBQOSA-N 2 2 359.474 0.232 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000535728414 490518430 /nfs/dbraw/zinc/51/84/30/490518430.db2.gz SXSHOCNWBBJQLF-KRWDZBQOSA-N 2 2 359.474 0.232 20 0 FCADLP CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474553 490522412 /nfs/dbraw/zinc/52/24/12/490522412.db2.gz SLXZGAPYIFVSQH-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474553 490522416 /nfs/dbraw/zinc/52/24/16/490522416.db2.gz SLXZGAPYIFVSQH-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000500474553 490522420 /nfs/dbraw/zinc/52/24/20/490522420.db2.gz SLXZGAPYIFVSQH-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000500474553 490522423 /nfs/dbraw/zinc/52/24/23/490522423.db2.gz SLXZGAPYIFVSQH-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423029989 490523944 /nfs/dbraw/zinc/52/39/44/490523944.db2.gz AZLXLIJRRSSOTL-QGZVFWFLSA-N 2 2 362.449 0.810 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423029989 490523950 /nfs/dbraw/zinc/52/39/50/490523950.db2.gz AZLXLIJRRSSOTL-QGZVFWFLSA-N 2 2 362.449 0.810 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423038780 490527196 /nfs/dbraw/zinc/52/71/96/490527196.db2.gz PAPXYQUCQZONLF-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1CCOC ZINC000500685082 490543402 /nfs/dbraw/zinc/54/34/02/490543402.db2.gz ZGKVSCIMRKEONO-IRXDYDNUSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1CCOC ZINC000500685082 490543406 /nfs/dbraw/zinc/54/34/06/490543406.db2.gz ZGKVSCIMRKEONO-IRXDYDNUSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685082 490543409 /nfs/dbraw/zinc/54/34/09/490543409.db2.gz ZGKVSCIMRKEONO-IRXDYDNUSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685082 490543411 /nfs/dbraw/zinc/54/34/11/490543411.db2.gz ZGKVSCIMRKEONO-IRXDYDNUSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000524667087 490549739 /nfs/dbraw/zinc/54/97/39/490549739.db2.gz QYLWINNVBFXPRB-IAGOWNOFSA-N 3 2 369.554 0.763 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000524667087 490549743 /nfs/dbraw/zinc/54/97/43/490549743.db2.gz QYLWINNVBFXPRB-IAGOWNOFSA-N 3 2 369.554 0.763 20 0 FCADLP Cn1c2ccc(C[NH2+]CCCCN3CC[NH+](CCO)CC3)cc2oc1=O ZINC000511082595 490559701 /nfs/dbraw/zinc/55/97/01/490559701.db2.gz SUIALRRYITWWOU-UHFFFAOYSA-N 2 2 362.474 0.611 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485814255 490560030 /nfs/dbraw/zinc/56/00/30/490560030.db2.gz GOSAUAVLIAWQLU-CXAGYDPISA-N 2 2 365.503 0.424 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1C[NH2+]C1 ZINC000564918492 491336576 /nfs/dbraw/zinc/33/65/76/491336576.db2.gz VHGDURJNVSLAHT-GDBMZVCRSA-N 2 2 374.489 0.254 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1C[NH2+]C1 ZINC000564918492 491336579 /nfs/dbraw/zinc/33/65/79/491336579.db2.gz VHGDURJNVSLAHT-GDBMZVCRSA-N 2 2 374.489 0.254 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000524976220 490573388 /nfs/dbraw/zinc/57/33/88/490573388.db2.gz XISVLXDSCIIHGL-UHFFFAOYSA-N 2 2 363.458 0.696 20 0 FCADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486026318 490585495 /nfs/dbraw/zinc/58/54/95/490585495.db2.gz FHFPTKKATJGXFV-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486026318 490585499 /nfs/dbraw/zinc/58/54/99/490585499.db2.gz FHFPTKKATJGXFV-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(=O)NCc1ccco1 ZINC000501182868 490587007 /nfs/dbraw/zinc/58/70/07/490587007.db2.gz UMPGJWMKXUHHJN-MRXNPFEDSA-N 2 2 364.490 0.671 20 0 FCADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(=O)NCc1ccco1 ZINC000501182868 490587009 /nfs/dbraw/zinc/58/70/09/490587009.db2.gz UMPGJWMKXUHHJN-MRXNPFEDSA-N 2 2 364.490 0.671 20 0 FCADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(=O)NCc1ccco1 ZINC000501182867 490587161 /nfs/dbraw/zinc/58/71/61/490587161.db2.gz UMPGJWMKXUHHJN-INIZCTEOSA-N 2 2 364.490 0.671 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(=O)NCc1ccco1 ZINC000501182867 490587164 /nfs/dbraw/zinc/58/71/64/490587164.db2.gz UMPGJWMKXUHHJN-INIZCTEOSA-N 2 2 364.490 0.671 20 0 FCADLP Cc1ocnc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000511692437 490619094 /nfs/dbraw/zinc/61/90/94/490619094.db2.gz SJSZHRIHWMEAAK-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP Cc1ocnc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511692437 490619103 /nfs/dbraw/zinc/61/91/03/490619103.db2.gz SJSZHRIHWMEAAK-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCCc2ccccc21 ZINC000486437772 490624193 /nfs/dbraw/zinc/62/41/93/490624193.db2.gz OXGCEMLPFLUQFZ-KRWDZBQOSA-N 2 2 356.470 0.862 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCCc2ccccc21 ZINC000486437772 490624197 /nfs/dbraw/zinc/62/41/97/490624197.db2.gz OXGCEMLPFLUQFZ-KRWDZBQOSA-N 2 2 356.470 0.862 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000501612533 490624373 /nfs/dbraw/zinc/62/43/73/490624373.db2.gz JTILBUICORLVDC-HOTGVXAUSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000501612533 490624380 /nfs/dbraw/zinc/62/43/80/490624380.db2.gz JTILBUICORLVDC-HOTGVXAUSA-N 2 2 359.474 0.695 20 0 FCADLP COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486434253 490624870 /nfs/dbraw/zinc/62/48/70/490624870.db2.gz INPPFPWTSIYTNK-INIZCTEOSA-N 2 2 360.458 0.920 20 0 FCADLP COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486434253 490624875 /nfs/dbraw/zinc/62/48/75/490624875.db2.gz INPPFPWTSIYTNK-INIZCTEOSA-N 2 2 360.458 0.920 20 0 FCADLP CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486434783 490625372 /nfs/dbraw/zinc/62/53/72/490625372.db2.gz JGCWMUJADDKHHM-OAHLLOKOSA-N 2 2 360.458 0.920 20 0 FCADLP CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486434783 490625379 /nfs/dbraw/zinc/62/53/79/490625379.db2.gz JGCWMUJADDKHHM-OAHLLOKOSA-N 2 2 360.458 0.920 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)nc2)CC1 ZINC000571986577 491341138 /nfs/dbraw/zinc/34/11/38/491341138.db2.gz LAIXNYOLZHCMBT-CABCVRRESA-N 2 2 365.503 0.063 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1nc2c(s1)CCC2 ZINC000486453633 490627738 /nfs/dbraw/zinc/62/77/38/490627738.db2.gz GPQJUJUTDKEPRV-GFCCVEGCSA-N 2 2 363.487 0.467 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1nc2c(s1)CCC2 ZINC000486453633 490627740 /nfs/dbraw/zinc/62/77/40/490627740.db2.gz GPQJUJUTDKEPRV-GFCCVEGCSA-N 2 2 363.487 0.467 20 0 FCADLP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449295 490627853 /nfs/dbraw/zinc/62/78/53/490627853.db2.gz INHOPEBIBJKUAP-TZMCWYRMSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449295 490627860 /nfs/dbraw/zinc/62/78/60/490627860.db2.gz INHOPEBIBJKUAP-TZMCWYRMSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486449342 490629025 /nfs/dbraw/zinc/62/90/25/490629025.db2.gz SXRXTKPIBHTVKE-CABCVRRESA-N 2 2 362.478 0.260 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486449342 490629029 /nfs/dbraw/zinc/62/90/29/490629029.db2.gz SXRXTKPIBHTVKE-CABCVRRESA-N 2 2 362.478 0.260 20 0 FCADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460727 490633493 /nfs/dbraw/zinc/63/34/93/490633493.db2.gz BBERXJAHLBKBBJ-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460727 490633496 /nfs/dbraw/zinc/63/34/96/490633496.db2.gz BBERXJAHLBKBBJ-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459396 490633544 /nfs/dbraw/zinc/63/35/44/490633544.db2.gz UTEANEYALSJXLI-CYBMUJFWSA-N 2 2 364.412 0.682 20 0 FCADLP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459396 490633550 /nfs/dbraw/zinc/63/35/50/490633550.db2.gz UTEANEYALSJXLI-CYBMUJFWSA-N 2 2 364.412 0.682 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H](C)N(CC[NH+]3CCO[C@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849447 490647244 /nfs/dbraw/zinc/64/72/44/490647244.db2.gz GRPBMTYXRPAKSZ-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H](C)N(CC[NH+]3CCO[C@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849447 490647249 /nfs/dbraw/zinc/64/72/49/490647249.db2.gz GRPBMTYXRPAKSZ-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2C[C@@H](C)N(CC[N@@H+]3CCO[C@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849447 490647252 /nfs/dbraw/zinc/64/72/52/490647252.db2.gz GRPBMTYXRPAKSZ-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2C[C@@H](C)N(CC[N@H+]3CCO[C@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849447 490647256 /nfs/dbraw/zinc/64/72/56/490647256.db2.gz GRPBMTYXRPAKSZ-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512041007 490653561 /nfs/dbraw/zinc/65/35/61/490653561.db2.gz OIWZNLVBTYKKGO-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512041007 490653567 /nfs/dbraw/zinc/65/35/67/490653567.db2.gz OIWZNLVBTYKKGO-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000550320387 490659023 /nfs/dbraw/zinc/65/90/23/490659023.db2.gz SFYQXMTWGFVJAK-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000512135994 490661168 /nfs/dbraw/zinc/66/11/68/490661168.db2.gz BDCPTKJHBIGQOO-UHFFFAOYSA-N 2 2 372.477 0.493 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000550359123 490663084 /nfs/dbraw/zinc/66/30/84/490663084.db2.gz KGEARQXJFBRZKZ-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000550359123 490663086 /nfs/dbraw/zinc/66/30/86/490663086.db2.gz KGEARQXJFBRZKZ-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000550358560 490663211 /nfs/dbraw/zinc/66/32/11/490663211.db2.gz UZHHDKMCJGRZOP-MRXNPFEDSA-N 2 2 356.511 0.260 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCCn2cc[nH+]c2)Cc2ccccc2C1 ZINC000550446083 490670640 /nfs/dbraw/zinc/67/06/40/490670640.db2.gz KBTDJHICBWTZKP-UHFFFAOYSA-N 2 2 355.442 0.215 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000502054372 490673391 /nfs/dbraw/zinc/67/33/91/490673391.db2.gz MLKDPXVHISMNSQ-UHFFFAOYSA-N 2 2 353.488 0.846 20 0 FCADLP O=C(N1CC[NH+](Cc2ccncc2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000564994638 491344908 /nfs/dbraw/zinc/34/49/08/491344908.db2.gz GHADCQMYRZCXQN-UHFFFAOYSA-N 2 2 354.458 0.701 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000512370388 490677818 /nfs/dbraw/zinc/67/78/18/490677818.db2.gz QDUSIISHALBISM-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000512370388 490677820 /nfs/dbraw/zinc/67/78/20/490677820.db2.gz QDUSIISHALBISM-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C1 ZINC000527004275 490692032 /nfs/dbraw/zinc/69/20/32/490692032.db2.gz JGOCBMMSRWFOPR-QWHCGFSZSA-N 2 2 360.462 0.561 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C1 ZINC000527004275 490692035 /nfs/dbraw/zinc/69/20/35/490692035.db2.gz JGOCBMMSRWFOPR-QWHCGFSZSA-N 2 2 360.462 0.561 20 0 FCADLP Cn1ncc(Br)c1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000487305861 490703988 /nfs/dbraw/zinc/70/39/88/490703988.db2.gz VXRJEANVSMEWHO-UHFFFAOYSA-N 2 2 374.327 0.662 20 0 FCADLP C[N@H+](CCC(N)=O)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000513221907 490714786 /nfs/dbraw/zinc/71/47/86/490714786.db2.gz FLYSIMGJFBXQMV-UHFFFAOYSA-N 2 2 360.458 0.073 20 0 FCADLP C[N@@H+](CCC(N)=O)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000513221907 490714791 /nfs/dbraw/zinc/71/47/91/490714791.db2.gz FLYSIMGJFBXQMV-UHFFFAOYSA-N 2 2 360.458 0.073 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000538145797 490716632 /nfs/dbraw/zinc/71/66/32/490716632.db2.gz YSGMGAMKJJKQCF-UHFFFAOYSA-N 2 2 359.430 0.783 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000538145797 490716634 /nfs/dbraw/zinc/71/66/34/490716634.db2.gz YSGMGAMKJJKQCF-UHFFFAOYSA-N 2 2 359.430 0.783 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000557013494 491349333 /nfs/dbraw/zinc/34/93/33/491349333.db2.gz UTIDXLJGNMHQBY-HNNXBMFYSA-N 2 2 353.426 0.841 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557013494 491349335 /nfs/dbraw/zinc/34/93/35/491349335.db2.gz UTIDXLJGNMHQBY-HNNXBMFYSA-N 2 2 353.426 0.841 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538228264 490720743 /nfs/dbraw/zinc/72/07/43/490720743.db2.gz QXCSUODDRMZSPW-JKSUJKDBSA-N 2 2 353.511 0.840 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538228264 490720747 /nfs/dbraw/zinc/72/07/47/490720747.db2.gz QXCSUODDRMZSPW-JKSUJKDBSA-N 2 2 353.511 0.840 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538228262 490720991 /nfs/dbraw/zinc/72/09/91/490720991.db2.gz QXCSUODDRMZSPW-HOTGVXAUSA-N 2 2 353.511 0.840 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538228262 490720995 /nfs/dbraw/zinc/72/09/95/490720995.db2.gz QXCSUODDRMZSPW-HOTGVXAUSA-N 2 2 353.511 0.840 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000557014584 491349678 /nfs/dbraw/zinc/34/96/78/491349678.db2.gz IEODBNIXXFBYMR-KGLIPLIRSA-N 2 2 350.467 0.071 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513456211 490730679 /nfs/dbraw/zinc/73/06/79/490730679.db2.gz CPMRPPCLEMGDAK-AWEZNQCLSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513456211 490730685 /nfs/dbraw/zinc/73/06/85/490730685.db2.gz CPMRPPCLEMGDAK-AWEZNQCLSA-N 2 2 356.511 0.306 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000538587644 490739328 /nfs/dbraw/zinc/73/93/28/490739328.db2.gz GDSIMOYFKPLNCK-SJORKVTESA-N 2 2 367.515 0.442 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1OC ZINC000488031358 490742763 /nfs/dbraw/zinc/74/27/63/490742763.db2.gz DEUBZQPJKJZFTF-HZPDHXFCSA-N 2 2 353.488 0.738 20 0 FCADLP C[C@@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C[NH+]1CCOCC1 ZINC000538682570 490743708 /nfs/dbraw/zinc/74/37/08/490743708.db2.gz UEAFGXBNELBQJQ-ZDUSSCGKSA-N 2 2 360.462 0.732 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000572147328 491351612 /nfs/dbraw/zinc/35/16/12/491351612.db2.gz MPLPGEIFDXPVCH-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000572147328 491351615 /nfs/dbraw/zinc/35/16/15/491351615.db2.gz MPLPGEIFDXPVCH-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1nc(CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000513968608 490756372 /nfs/dbraw/zinc/75/63/72/490756372.db2.gz HDDYWSLEDLRPFU-UHFFFAOYSA-N 2 2 351.520 0.733 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527767025 490758794 /nfs/dbraw/zinc/75/87/94/490758794.db2.gz JYNTWBHTFXHUHS-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527767025 490758795 /nfs/dbraw/zinc/75/87/95/490758795.db2.gz JYNTWBHTFXHUHS-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@@H](C)O1 ZINC000514669142 490779908 /nfs/dbraw/zinc/77/99/08/490779908.db2.gz UIOCMJSJFBIPJN-ZACQAIPSSA-N 2 2 365.522 0.997 20 0 FCADLP CN(C)[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1c[nH+]cn1C ZINC000539488537 490785847 /nfs/dbraw/zinc/78/58/47/490785847.db2.gz LBIDLRWMYXGNGY-QGZVFWFLSA-N 2 2 351.495 0.982 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cccc(F)c1 ZINC000557135632 491356102 /nfs/dbraw/zinc/35/61/02/491356102.db2.gz KICXKFAMRCYWKX-HOTGVXAUSA-N 2 2 360.437 0.851 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000557137527 491356279 /nfs/dbraw/zinc/35/62/79/491356279.db2.gz UKIUACHSWIBFMC-IBGZPJMESA-N 3 2 374.533 0.089 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000514903013 490797154 /nfs/dbraw/zinc/79/71/54/490797154.db2.gz HSBZOQCLKGSRDY-IAGOWNOFSA-N 2 2 365.522 0.617 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000514903013 490797157 /nfs/dbraw/zinc/79/71/57/490797157.db2.gz HSBZOQCLKGSRDY-IAGOWNOFSA-N 2 2 365.522 0.617 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930502 490798208 /nfs/dbraw/zinc/79/82/08/490798208.db2.gz MDYWAIXHYCINGE-APWZRJJASA-N 3 2 360.502 0.931 20 0 FCADLP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930502 490798210 /nfs/dbraw/zinc/79/82/10/490798210.db2.gz MDYWAIXHYCINGE-APWZRJJASA-N 2 2 360.502 0.931 20 0 FCADLP C[C@H]1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000540009390 490804625 /nfs/dbraw/zinc/80/46/25/490804625.db2.gz KFUOBULMNOOBCP-DLBZAZTESA-N 2 2 358.552 0.923 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091346 490808453 /nfs/dbraw/zinc/80/84/53/490808453.db2.gz FEUXAVDJNRBMTP-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091346 490808455 /nfs/dbraw/zinc/80/84/55/490808455.db2.gz FEUXAVDJNRBMTP-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091346 490808456 /nfs/dbraw/zinc/80/84/56/490808456.db2.gz FEUXAVDJNRBMTP-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171684 490809124 /nfs/dbraw/zinc/80/91/24/490809124.db2.gz VPJXWIXPDYUVSX-WMLDXEAASA-N 2 2 372.535 0.100 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171684 490809126 /nfs/dbraw/zinc/80/91/26/490809126.db2.gz VPJXWIXPDYUVSX-WMLDXEAASA-N 2 2 372.535 0.100 20 0 FCADLP O=c1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)nc2ccccn12 ZINC000515158444 490810761 /nfs/dbraw/zinc/81/07/61/490810761.db2.gz JKOWSUFIRIVFAP-UHFFFAOYSA-N 2 2 371.485 0.581 20 0 FCADLP O=c1cc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)nc2ccccn12 ZINC000515158444 490810762 /nfs/dbraw/zinc/81/07/62/490810762.db2.gz JKOWSUFIRIVFAP-UHFFFAOYSA-N 2 2 371.485 0.581 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000557168244 491357521 /nfs/dbraw/zinc/35/75/21/491357521.db2.gz SZLIQAGBHORTKV-GDBMZVCRSA-N 2 2 351.495 0.357 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565188814 491358546 /nfs/dbraw/zinc/35/85/46/491358546.db2.gz ODYOULNXDNYQMS-AWEZNQCLSA-N 2 2 362.430 0.742 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)[C@H](C)C1 ZINC000515525634 490830406 /nfs/dbraw/zinc/83/04/06/490830406.db2.gz VIRIOZOCCJJBEX-CQSZACIVSA-N 2 2 360.458 0.206 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000557241454 491361147 /nfs/dbraw/zinc/36/11/47/491361147.db2.gz GPCOQRQHVPCXIG-MELADBBJSA-N 2 2 374.411 0.629 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000557241454 491361148 /nfs/dbraw/zinc/36/11/48/491361148.db2.gz GPCOQRQHVPCXIG-MELADBBJSA-N 2 2 374.411 0.629 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)C[NH2+]1 ZINC000516027852 490846957 /nfs/dbraw/zinc/84/69/57/490846957.db2.gz ZMENLQQKZVTIKE-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529305073 490848932 /nfs/dbraw/zinc/84/89/32/490848932.db2.gz HMOSJXKEGLNLQM-WMZOPIPTSA-N 2 2 367.538 0.422 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000529330200 490853475 /nfs/dbraw/zinc/85/34/75/490853475.db2.gz KANOLLYRIOLMOK-INIZCTEOSA-N 2 2 354.495 0.507 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000516334740 490860958 /nfs/dbraw/zinc/86/09/58/490860958.db2.gz MQWAJTWQGLYNFD-HNNXBMFYSA-N 2 2 361.490 0.974 20 0 FCADLP CCOC[C@@H](O)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000516563508 490868537 /nfs/dbraw/zinc/86/85/37/490868537.db2.gz JXEXEAIPQFCFNZ-CVEARBPZSA-N 2 2 365.478 0.269 20 0 FCADLP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1)C1CC1 ZINC000541668856 490868951 /nfs/dbraw/zinc/86/89/51/490868951.db2.gz XQLAFUPKYTXCNS-UHFFFAOYSA-N 2 2 374.485 0.398 20 0 FCADLP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1)C1CC1 ZINC000541668856 490868952 /nfs/dbraw/zinc/86/89/52/490868952.db2.gz XQLAFUPKYTXCNS-UHFFFAOYSA-N 2 2 374.485 0.398 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000516603996 490870443 /nfs/dbraw/zinc/87/04/43/490870443.db2.gz LGAQMGBXQGJTDK-INIZCTEOSA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000516603996 490870445 /nfs/dbraw/zinc/87/04/45/490870445.db2.gz LGAQMGBXQGJTDK-INIZCTEOSA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000529751570 490872545 /nfs/dbraw/zinc/87/25/45/490872545.db2.gz KYYJXCIZWPDHIZ-LJQANCHMSA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000529751570 490872547 /nfs/dbraw/zinc/87/25/47/490872547.db2.gz KYYJXCIZWPDHIZ-LJQANCHMSA-N 2 2 353.507 0.839 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529753407 490873223 /nfs/dbraw/zinc/87/32/23/490873223.db2.gz RMSVSOTWWSMCNT-KUHUBIRLSA-N 2 2 362.474 0.555 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529753407 490873225 /nfs/dbraw/zinc/87/32/25/490873225.db2.gz RMSVSOTWWSMCNT-KUHUBIRLSA-N 2 2 362.474 0.555 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660094 490873646 /nfs/dbraw/zinc/87/36/46/490873646.db2.gz KSVYRHAJXLQSSD-GDBMZVCRSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660094 490873648 /nfs/dbraw/zinc/87/36/48/490873648.db2.gz KSVYRHAJXLQSSD-GDBMZVCRSA-N 2 2 373.519 0.527 20 0 FCADLP COCCNC(=O)CN1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000516869349 490882099 /nfs/dbraw/zinc/88/20/99/490882099.db2.gz GFNJAWRVELEJHL-QGZVFWFLSA-N 2 2 364.490 0.118 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)CC1 ZINC000542023375 490882431 /nfs/dbraw/zinc/88/24/31/490882431.db2.gz BBDTYARJQPYUCQ-SFHVURJKSA-N 2 2 364.534 0.868 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923892 490884882 /nfs/dbraw/zinc/88/48/82/490884882.db2.gz ALVSBCFNZBZWNX-GOSISDBHSA-N 2 2 367.538 0.960 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923892 490884883 /nfs/dbraw/zinc/88/48/83/490884883.db2.gz ALVSBCFNZBZWNX-GOSISDBHSA-N 2 2 367.538 0.960 20 0 FCADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923892 490884885 /nfs/dbraw/zinc/88/48/85/490884885.db2.gz ALVSBCFNZBZWNX-GOSISDBHSA-N 2 2 367.538 0.960 20 0 FCADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923892 490884886 /nfs/dbraw/zinc/88/48/86/490884886.db2.gz ALVSBCFNZBZWNX-GOSISDBHSA-N 2 2 367.538 0.960 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123385 490886701 /nfs/dbraw/zinc/88/67/01/490886701.db2.gz OWRFDVMBQFQAFY-HUUCEWRRSA-N 2 2 362.478 0.647 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123385 490886703 /nfs/dbraw/zinc/88/67/03/490886703.db2.gz OWRFDVMBQFQAFY-HUUCEWRRSA-N 2 2 362.478 0.647 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000557205893 491359818 /nfs/dbraw/zinc/35/98/18/491359818.db2.gz JOOQBOPFJMJVLR-UHFFFAOYSA-N 2 2 361.446 0.375 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000517032565 490892297 /nfs/dbraw/zinc/89/22/97/490892297.db2.gz BSBSCZFLARPQMK-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000517032565 490892299 /nfs/dbraw/zinc/89/22/99/490892299.db2.gz BSBSCZFLARPQMK-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243392 490895230 /nfs/dbraw/zinc/89/52/30/490895230.db2.gz XSUBYMOWFIUEMG-FUHWJXTLSA-N 3 2 352.523 0.630 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000557212748 491360252 /nfs/dbraw/zinc/36/02/52/491360252.db2.gz BBEUYNJVDAKJMY-UHFFFAOYSA-N 2 2 361.490 0.871 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000557212748 491360253 /nfs/dbraw/zinc/36/02/53/491360253.db2.gz BBEUYNJVDAKJMY-UHFFFAOYSA-N 2 2 361.490 0.871 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000530571155 490913534 /nfs/dbraw/zinc/91/35/34/490913534.db2.gz ZMCPEIYJQCUYNJ-QGZVFWFLSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000530571155 490913535 /nfs/dbraw/zinc/91/35/35/490913535.db2.gz ZMCPEIYJQCUYNJ-QGZVFWFLSA-N 2 2 361.490 0.431 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517719275 490917935 /nfs/dbraw/zinc/91/79/35/490917935.db2.gz OSPKJSJFEPKZKO-FQEVSTJZSA-N 2 2 373.545 0.951 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517719275 490917937 /nfs/dbraw/zinc/91/79/37/490917937.db2.gz OSPKJSJFEPKZKO-FQEVSTJZSA-N 2 2 373.545 0.951 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000517865048 490922982 /nfs/dbraw/zinc/92/29/82/490922982.db2.gz VDENDSBTIKDQQA-INIZCTEOSA-N 2 2 371.526 0.195 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000517865048 490922983 /nfs/dbraw/zinc/92/29/83/490922983.db2.gz VDENDSBTIKDQQA-INIZCTEOSA-N 2 2 371.526 0.195 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)c2cccs2)CC1 ZINC000530817772 490926348 /nfs/dbraw/zinc/92/63/48/490926348.db2.gz XXUNDLZSTIARGX-CABCVRRESA-N 2 2 352.504 0.483 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c2cccs2)CC1 ZINC000530817772 490926351 /nfs/dbraw/zinc/92/63/51/490926351.db2.gz XXUNDLZSTIARGX-CABCVRRESA-N 2 2 352.504 0.483 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000518376998 490938385 /nfs/dbraw/zinc/93/83/85/490938385.db2.gz JRSVVAXFOLLHFH-SFHVURJKSA-N 2 2 365.499 0.848 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000572367582 491365664 /nfs/dbraw/zinc/36/56/64/491365664.db2.gz AHTBDVGUMBCVGP-RKVPGOIHSA-N 2 2 367.538 0.021 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCN1CCCC1=O ZINC000518554050 490944974 /nfs/dbraw/zinc/94/49/74/490944974.db2.gz ZUCBORNIVHPFKM-KRWDZBQOSA-N 2 2 355.442 0.540 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000518796807 490951864 /nfs/dbraw/zinc/95/18/64/490951864.db2.gz ALSFDKXOXGMFKT-SJORKVTESA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000518796807 490951865 /nfs/dbraw/zinc/95/18/65/490951865.db2.gz ALSFDKXOXGMFKT-SJORKVTESA-N 2 2 360.458 0.083 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000518813917 490952793 /nfs/dbraw/zinc/95/27/93/490952793.db2.gz DSNIUXIFLJHPFV-MRXNPFEDSA-N 2 2 356.511 0.489 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382233 490955221 /nfs/dbraw/zinc/95/52/21/490955221.db2.gz IQPWUBIYYCBVOT-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382233 490955223 /nfs/dbraw/zinc/95/52/23/490955223.db2.gz IQPWUBIYYCBVOT-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382233 490955225 /nfs/dbraw/zinc/95/52/25/490955225.db2.gz IQPWUBIYYCBVOT-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H]1C ZINC000531382233 490955226 /nfs/dbraw/zinc/95/52/26/490955226.db2.gz IQPWUBIYYCBVOT-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000544593532 490973023 /nfs/dbraw/zinc/97/30/23/490973023.db2.gz KWTZUNONFGWUIR-OAHLLOKOSA-N 2 2 360.462 0.685 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000544593532 490973024 /nfs/dbraw/zinc/97/30/24/490973024.db2.gz KWTZUNONFGWUIR-OAHLLOKOSA-N 2 2 360.462 0.685 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000572399213 491367618 /nfs/dbraw/zinc/36/76/18/491367618.db2.gz XRZQDNMZGRVJDN-IAGOWNOFSA-N 2 2 360.458 0.044 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000519700691 490985094 /nfs/dbraw/zinc/98/50/94/490985094.db2.gz GJRLCKPRKUPEHA-HDMKZQKVSA-N 2 2 374.489 0.913 20 0 FCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000519707498 490985502 /nfs/dbraw/zinc/98/55/02/490985502.db2.gz ARSQAKNUUYLEBO-ROUUACIJSA-N 2 2 374.485 0.296 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166171 /nfs/dbraw/zinc/16/61/71/491166171.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166172 /nfs/dbraw/zinc/16/61/72/491166172.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166173 /nfs/dbraw/zinc/16/61/73/491166173.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442363 491166174 /nfs/dbraw/zinc/16/61/74/491166174.db2.gz PUGCEZOGPBWIFA-SCTDSRPQSA-N 3 2 357.539 0.747 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000569525895 491166546 /nfs/dbraw/zinc/16/65/46/491166546.db2.gz ZEYSMWJNBDVEET-MRXNPFEDSA-N 2 2 367.538 0.071 20 0 FCADLP CN1C(=O)C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000683145381 493335337 /nfs/dbraw/zinc/33/53/37/493335337.db2.gz SUXPUZKXOZQIQX-CRAIPNDOSA-N 2 2 366.412 0.600 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncc(C[N@H+]3C[C@@H](OC)[C@@H](OC)C3)c2)C[C@@H]1OC ZINC000569556189 491168128 /nfs/dbraw/zinc/16/81/28/491168128.db2.gz CHCSWUHCPLJSMK-QGFMHUBQSA-N 2 2 365.474 0.773 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncc(C[N@@H+]3C[C@@H](OC)[C@@H](OC)C3)c2)C[C@@H]1OC ZINC000569556189 491168131 /nfs/dbraw/zinc/16/81/31/491168131.db2.gz CHCSWUHCPLJSMK-QGFMHUBQSA-N 2 2 365.474 0.773 20 0 FCADLP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000569577187 491170235 /nfs/dbraw/zinc/17/02/35/491170235.db2.gz JEZHTJSZZMJPLS-HDICACEKSA-N 2 2 356.470 0.684 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569710803 491183860 /nfs/dbraw/zinc/18/38/60/491183860.db2.gz WSMTXZGLOKOUPQ-BFJAYTPKSA-N 2 2 358.442 0.259 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569710803 491183862 /nfs/dbraw/zinc/18/38/62/491183862.db2.gz WSMTXZGLOKOUPQ-BFJAYTPKSA-N 2 2 358.442 0.259 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224512 491185613 /nfs/dbraw/zinc/18/56/13/491185613.db2.gz FXZPAAWPXJQXSU-JKSUJKDBSA-N 2 2 366.531 0.874 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224512 491185615 /nfs/dbraw/zinc/18/56/15/491185615.db2.gz FXZPAAWPXJQXSU-JKSUJKDBSA-N 2 2 366.531 0.874 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000562769464 491187435 /nfs/dbraw/zinc/18/74/35/491187435.db2.gz SZEMDBHZXSFJAB-UHFFFAOYSA-N 2 2 363.462 0.016 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000572476940 491372893 /nfs/dbraw/zinc/37/28/93/491372893.db2.gz TYABLIGCVPQQQK-HUUCEWRRSA-N 2 2 355.398 0.665 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000572523766 491376235 /nfs/dbraw/zinc/37/62/35/491376235.db2.gz MGOKDWKZTCYSEX-ZDUSSCGKSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000572523766 491376237 /nfs/dbraw/zinc/37/62/37/491376237.db2.gz MGOKDWKZTCYSEX-ZDUSSCGKSA-N 2 2 351.447 0.999 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000565480447 491379442 /nfs/dbraw/zinc/37/94/42/491379442.db2.gz DJYKKWMLZKMLEU-CABCVRRESA-N 2 2 357.458 0.984 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)ccn12 ZINC000565548062 491383796 /nfs/dbraw/zinc/38/37/96/491383796.db2.gz FNXQDJNGYRBOIS-UHFFFAOYSA-N 2 2 369.429 0.769 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000572738195 491390348 /nfs/dbraw/zinc/39/03/48/491390348.db2.gz ITHHKJULQMGNCE-MRXNPFEDSA-N 2 2 370.457 0.688 20 0 FCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565651430 491390897 /nfs/dbraw/zinc/39/08/97/491390897.db2.gz DIVXTTRFNNFYEO-HZPDHXFCSA-N 3 2 367.519 0.250 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000572740238 491390896 /nfs/dbraw/zinc/39/08/96/491390896.db2.gz MFSWPEPKVYOZIG-INIZCTEOSA-N 2 2 362.474 0.578 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000557706588 491392693 /nfs/dbraw/zinc/39/26/93/491392693.db2.gz LBMPZYZESHTCKV-HZMVEIRTSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000557706588 491392695 /nfs/dbraw/zinc/39/26/95/491392695.db2.gz LBMPZYZESHTCKV-HZMVEIRTSA-N 2 2 368.522 0.543 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000557743310 491395103 /nfs/dbraw/zinc/39/51/03/491395103.db2.gz WERZMECVYQJTQB-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000557743310 491395104 /nfs/dbraw/zinc/39/51/04/491395104.db2.gz WERZMECVYQJTQB-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000557743310 491395105 /nfs/dbraw/zinc/39/51/05/491395105.db2.gz WERZMECVYQJTQB-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC000557743310 491395106 /nfs/dbraw/zinc/39/51/06/491395106.db2.gz WERZMECVYQJTQB-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000565763524 491398203 /nfs/dbraw/zinc/39/82/03/491398203.db2.gz ABPITBAZYXFVMB-MRXNPFEDSA-N 2 2 355.442 0.692 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000558060204 491410887 /nfs/dbraw/zinc/41/08/87/491410887.db2.gz JHRPTIWXMYBEFU-UHFFFAOYSA-N 2 2 352.483 0.149 20 0 FCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000566067303 491415367 /nfs/dbraw/zinc/41/53/67/491415367.db2.gz UTBMRMOWGZJGSV-HNNXBMFYSA-N 2 2 366.487 0.114 20 0 FCADLP COc1ccc([C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2nccn2C)cc1 ZINC000566107205 491417715 /nfs/dbraw/zinc/41/77/15/491417715.db2.gz GVPAMWYYBDUSGL-IEBWSBKVSA-N 2 2 373.501 0.716 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118777 491418645 /nfs/dbraw/zinc/41/86/45/491418645.db2.gz ZPLRNXDZKYHHIQ-HOTGVXAUSA-N 2 2 362.474 0.146 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118777 491418647 /nfs/dbraw/zinc/41/86/47/491418647.db2.gz ZPLRNXDZKYHHIQ-HOTGVXAUSA-N 2 2 362.474 0.146 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118779 491418679 /nfs/dbraw/zinc/41/86/79/491418679.db2.gz ZPLRNXDZKYHHIQ-JKSUJKDBSA-N 2 2 362.474 0.146 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118779 491418680 /nfs/dbraw/zinc/41/86/80/491418680.db2.gz ZPLRNXDZKYHHIQ-JKSUJKDBSA-N 2 2 362.474 0.146 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)C1=O ZINC000566137428 491419723 /nfs/dbraw/zinc/41/97/23/491419723.db2.gz PARAULSIRSRYRL-HNNXBMFYSA-N 2 2 369.429 0.087 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558235441 491421712 /nfs/dbraw/zinc/42/17/12/491421712.db2.gz FTJNQUPZKNTUGI-IKGGRYGDSA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558235441 491421713 /nfs/dbraw/zinc/42/17/13/491421713.db2.gz FTJNQUPZKNTUGI-IKGGRYGDSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000566168891 491422279 /nfs/dbraw/zinc/42/22/79/491422279.db2.gz WUVBGALOHPOEKU-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000573475899 491436027 /nfs/dbraw/zinc/43/60/27/491436027.db2.gz BJOXRVDIMAOLFH-KRWDZBQOSA-N 2 2 371.485 0.578 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566379338 491439884 /nfs/dbraw/zinc/43/98/84/491439884.db2.gz MUEZGAPJCRDRAC-INIZCTEOSA-N 2 2 373.501 0.874 20 0 FCADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000558728663 491444309 /nfs/dbraw/zinc/44/43/09/491444309.db2.gz ZLOXBNKHSSCLRN-HNNXBMFYSA-N 2 2 352.479 0.445 20 0 FCADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000558728663 491444313 /nfs/dbraw/zinc/44/43/13/491444313.db2.gz ZLOXBNKHSSCLRN-HNNXBMFYSA-N 2 2 352.479 0.445 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)C1 ZINC000573673006 491447700 /nfs/dbraw/zinc/44/77/00/491447700.db2.gz XVYWQWJYDVXSOZ-LMMKCTJWSA-N 2 2 366.550 0.564 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C1 ZINC000573673006 491447701 /nfs/dbraw/zinc/44/77/01/491447701.db2.gz XVYWQWJYDVXSOZ-LMMKCTJWSA-N 2 2 366.550 0.564 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707030 491449746 /nfs/dbraw/zinc/44/97/46/491449746.db2.gz DNUCXXLTJRBREI-YOEHRIQHSA-N 2 2 368.503 0.487 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707030 491449747 /nfs/dbraw/zinc/44/97/47/491449747.db2.gz DNUCXXLTJRBREI-YOEHRIQHSA-N 2 2 368.503 0.487 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCN2C1=O ZINC000566512691 491450764 /nfs/dbraw/zinc/45/07/64/491450764.db2.gz NWOZSWGKMAOSRZ-HIFRSBDPSA-N 2 2 372.404 0.465 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](CCOCC[NH3+])CC2)c(OC)c1OC ZINC000566562151 491453251 /nfs/dbraw/zinc/45/32/51/491453251.db2.gz JPGZTYRJCNLYTF-UHFFFAOYSA-N 2 2 367.446 0.446 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785314 491454490 /nfs/dbraw/zinc/45/44/90/491454490.db2.gz LNBIFFPUKQSANR-MSOLQXFVSA-N 2 2 361.490 0.090 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785314 491454492 /nfs/dbraw/zinc/45/44/92/491454492.db2.gz LNBIFFPUKQSANR-MSOLQXFVSA-N 2 2 361.490 0.090 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573786086 491454650 /nfs/dbraw/zinc/45/46/50/491454650.db2.gz WXSHXXHISPAJDF-ZMSDIMECSA-N 2 2 354.520 0.445 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000573786172 491454764 /nfs/dbraw/zinc/45/47/64/491454764.db2.gz FVTQWGVETURJKO-CABCVRRESA-N 2 2 351.495 0.370 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000566584918 491454853 /nfs/dbraw/zinc/45/48/53/491454853.db2.gz XZSRBUWZJHMSKS-ILXRZTDVSA-N 2 2 359.474 0.927 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000566584918 491454855 /nfs/dbraw/zinc/45/48/55/491454855.db2.gz XZSRBUWZJHMSKS-ILXRZTDVSA-N 2 2 359.474 0.927 20 0 FCADLP Cc1nnnn1-c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000566623900 491457147 /nfs/dbraw/zinc/45/71/47/491457147.db2.gz HBVJBDUEFKBWNQ-UHFFFAOYSA-N 2 2 357.462 0.727 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000566673245 491459413 /nfs/dbraw/zinc/45/94/13/491459413.db2.gz FKFCRIVFRYPJBE-IJEWVQPXSA-N 2 2 351.447 0.110 20 0 FCADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000566732310 491463480 /nfs/dbraw/zinc/46/34/80/491463480.db2.gz XNUYIMYCINZIAO-DLBZAZTESA-N 2 2 359.536 0.793 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1C ZINC000559360639 491466902 /nfs/dbraw/zinc/46/69/02/491466902.db2.gz MKIHDHOUSYUMDZ-CABCVRRESA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000559360639 491466904 /nfs/dbraw/zinc/46/69/04/491466904.db2.gz MKIHDHOUSYUMDZ-CABCVRRESA-N 2 2 350.463 0.797 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCCn2cc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000574024561 491469355 /nfs/dbraw/zinc/46/93/55/491469355.db2.gz ZYCDUCFSPMCZSH-ZDUSSCGKSA-N 2 2 373.299 0.710 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCCn2cc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000574024561 491469358 /nfs/dbraw/zinc/46/93/58/491469358.db2.gz ZYCDUCFSPMCZSH-ZDUSSCGKSA-N 2 2 373.299 0.710 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000566833177 491470032 /nfs/dbraw/zinc/47/00/32/491470032.db2.gz OIOAWOHRDPTWAE-KRWDZBQOSA-N 3 2 356.474 0.951 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000559411089 491470646 /nfs/dbraw/zinc/47/06/46/491470646.db2.gz HPBBVNFAJSWWJI-DLBZAZTESA-N 2 2 369.469 0.603 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000559441108 491473137 /nfs/dbraw/zinc/47/31/37/491473137.db2.gz KNWXTPYTTPELEH-MRXNPFEDSA-N 2 2 365.478 0.205 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000559441108 491473140 /nfs/dbraw/zinc/47/31/40/491473140.db2.gz KNWXTPYTTPELEH-MRXNPFEDSA-N 2 2 365.478 0.205 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000559445896 491474127 /nfs/dbraw/zinc/47/41/27/491474127.db2.gz TVZFGQGRDQYVPK-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP [NH3+]CCn1cc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nn1 ZINC000566984991 491479064 /nfs/dbraw/zinc/47/90/64/491479064.db2.gz YZSDAWWGDZMLIZ-UHFFFAOYSA-N 2 2 371.445 0.070 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552292 491480608 /nfs/dbraw/zinc/48/06/08/491480608.db2.gz SVWSIZQDHZISGY-DLBZAZTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552292 491480609 /nfs/dbraw/zinc/48/06/09/491480609.db2.gz SVWSIZQDHZISGY-DLBZAZTESA-N 2 2 368.522 0.258 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262111 491484647 /nfs/dbraw/zinc/48/46/47/491484647.db2.gz GVWIHKMXCKQFHF-ROUUACIJSA-N 3 2 361.490 0.038 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262111 491484649 /nfs/dbraw/zinc/48/46/49/491484649.db2.gz GVWIHKMXCKQFHF-ROUUACIJSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262111 491484651 /nfs/dbraw/zinc/48/46/51/491484651.db2.gz GVWIHKMXCKQFHF-ROUUACIJSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262111 491484653 /nfs/dbraw/zinc/48/46/53/491484653.db2.gz GVWIHKMXCKQFHF-ROUUACIJSA-N 3 2 361.490 0.038 20 0 FCADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C[C@H]2[NH3+])cn1 ZINC000567159818 491489162 /nfs/dbraw/zinc/48/91/62/491489162.db2.gz RQMHSUYANCIXAG-LSDHHAIUSA-N 2 2 357.414 0.904 20 0 FCADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C[C@H]2[NH3+])cn1 ZINC000567159818 491489164 /nfs/dbraw/zinc/48/91/64/491489164.db2.gz RQMHSUYANCIXAG-LSDHHAIUSA-N 2 2 357.414 0.904 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000567163812 491489586 /nfs/dbraw/zinc/48/95/86/491489586.db2.gz CDMIMMCIMHJYEU-CRAIPNDOSA-N 2 2 374.485 0.567 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339758 491490529 /nfs/dbraw/zinc/49/05/29/491490529.db2.gz MZKUTTMWLPRHCM-GDBMZVCRSA-N 2 2 362.499 0.529 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339758 491490530 /nfs/dbraw/zinc/49/05/30/491490530.db2.gz MZKUTTMWLPRHCM-GDBMZVCRSA-N 2 2 362.499 0.529 20 0 FCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000574404121 491493902 /nfs/dbraw/zinc/49/39/02/491493902.db2.gz LEOGUOMMRBUZLU-QZTJIDSGSA-N 2 2 358.486 0.999 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463585 491499022 /nfs/dbraw/zinc/49/90/22/491499022.db2.gz ZHSXNNQNKDHFIF-DLBZAZTESA-N 3 2 352.523 0.949 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463585 491499025 /nfs/dbraw/zinc/49/90/25/491499025.db2.gz ZHSXNNQNKDHFIF-DLBZAZTESA-N 3 2 352.523 0.949 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000567345287 491500559 /nfs/dbraw/zinc/50/05/59/491500559.db2.gz BNZZOQKLBMPHPI-CQSZACIVSA-N 2 2 361.895 0.663 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000567345287 491500561 /nfs/dbraw/zinc/50/05/61/491500561.db2.gz BNZZOQKLBMPHPI-CQSZACIVSA-N 2 2 361.895 0.663 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3([NH3+])CCC3)CC2)cc1 ZINC000567350110 491501091 /nfs/dbraw/zinc/50/10/91/491501091.db2.gz STJIREFPLUVEMA-UHFFFAOYSA-N 2 2 360.458 0.451 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)c3ccn(CC[NH+](C)C)n3)c[nH+]2)CCO1 ZINC000567403376 491504607 /nfs/dbraw/zinc/50/46/07/491504607.db2.gz NCBDVGHLONSKME-OAHLLOKOSA-N 2 2 372.473 0.995 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000567484501 491508981 /nfs/dbraw/zinc/50/89/81/491508981.db2.gz QDJROQANNHHTHM-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000574635201 491510259 /nfs/dbraw/zinc/51/02/59/491510259.db2.gz YZKJGLKIJAMFRW-UHFFFAOYSA-N 2 2 358.446 0.389 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000567526673 491511861 /nfs/dbraw/zinc/51/18/61/491511861.db2.gz UASUYRLZYFQKQK-UHFFFAOYSA-N 2 2 367.413 1.208 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)CCC2 ZINC000574699114 491514708 /nfs/dbraw/zinc/51/47/08/491514708.db2.gz PZHGIUGQLVYXRX-CYBMUJFWSA-N 2 2 373.461 0.301 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000683373986 493347779 /nfs/dbraw/zinc/34/77/79/493347779.db2.gz WELPUUDUPHNHSO-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000683373986 493347781 /nfs/dbraw/zinc/34/77/81/493347781.db2.gz WELPUUDUPHNHSO-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000567608791 491517775 /nfs/dbraw/zinc/51/77/75/491517775.db2.gz NPAJKPNHDDTLPS-IRXDYDNUSA-N 2 2 360.458 0.044 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000574766919 491518869 /nfs/dbraw/zinc/51/88/69/491518869.db2.gz WQLHWQNNSMKCLK-INIZCTEOSA-N 2 2 351.495 0.733 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000574766919 491518871 /nfs/dbraw/zinc/51/88/71/491518871.db2.gz WQLHWQNNSMKCLK-INIZCTEOSA-N 2 2 351.495 0.733 20 0 FCADLP CCN1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000574900195 491526512 /nfs/dbraw/zinc/52/65/12/491526512.db2.gz UWKFYUIXCLALNA-OAHLLOKOSA-N 2 2 350.467 0.520 20 0 FCADLP CCN1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000574900195 491526514 /nfs/dbraw/zinc/52/65/14/491526514.db2.gz UWKFYUIXCLALNA-OAHLLOKOSA-N 2 2 350.467 0.520 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000567741879 491526930 /nfs/dbraw/zinc/52/69/30/491526930.db2.gz IBSMTDAUJJISNE-UHFFFAOYSA-N 2 2 373.501 0.965 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)CC(=O)N1C ZINC000574915165 491527742 /nfs/dbraw/zinc/52/77/42/491527742.db2.gz GLLQBIXWKSITMV-DOTOQJQBSA-N 2 2 370.457 0.898 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000560299323 491529258 /nfs/dbraw/zinc/52/92/58/491529258.db2.gz KWEZEPBLLFBAGM-GJZGRUSLSA-N 2 2 368.522 0.591 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560308044 491530109 /nfs/dbraw/zinc/53/01/09/491530109.db2.gz YFWBHGSVOIBFLE-KRWDZBQOSA-N 2 2 361.490 0.970 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560308044 491530110 /nfs/dbraw/zinc/53/01/10/491530110.db2.gz YFWBHGSVOIBFLE-KRWDZBQOSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@H](C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000574982691 491531774 /nfs/dbraw/zinc/53/17/74/491531774.db2.gz HSSCQCYRSGBYOB-CABCVRRESA-N 2 2 361.442 0.201 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000567845099 491534620 /nfs/dbraw/zinc/53/46/20/491534620.db2.gz JYOCDNRHPNUVQE-YJBOKZPZSA-N 2 2 363.481 0.356 20 0 FCADLP CS(=O)(=O)N(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000567910851 491540872 /nfs/dbraw/zinc/54/08/72/491540872.db2.gz IYSQCIIDXBSXED-UHFFFAOYSA-N 2 2 363.487 0.994 20 0 FCADLP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000567966271 491543843 /nfs/dbraw/zinc/54/38/43/491543843.db2.gz BMEHWVFVKLRSKM-CYBMUJFWSA-N 2 2 366.487 0.702 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000560558437 491544855 /nfs/dbraw/zinc/54/48/55/491544855.db2.gz KBLGDDCAUVBNEO-IAGOWNOFSA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000560558437 491544857 /nfs/dbraw/zinc/54/48/57/491544857.db2.gz KBLGDDCAUVBNEO-IAGOWNOFSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000568061272 491551285 /nfs/dbraw/zinc/55/12/85/491551285.db2.gz ZWPCOYRBRSVCEE-DLBZAZTESA-N 2 2 373.501 0.121 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000568083548 491552099 /nfs/dbraw/zinc/55/20/99/491552099.db2.gz JYBIQVAPPHSPAB-OAHLLOKOSA-N 2 2 357.462 0.931 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598444 493349715 /nfs/dbraw/zinc/34/97/15/493349715.db2.gz NBIDXTFSKMVRMJ-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598444 493349718 /nfs/dbraw/zinc/34/97/18/493349718.db2.gz NBIDXTFSKMVRMJ-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000560777969 491557146 /nfs/dbraw/zinc/55/71/46/491557146.db2.gz RSMWIJNRYHCJRC-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000560777969 491557148 /nfs/dbraw/zinc/55/71/48/491557148.db2.gz RSMWIJNRYHCJRC-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)[NH+]1CCOCC1 ZINC000575766311 491559264 /nfs/dbraw/zinc/55/92/64/491559264.db2.gz QIPGMTRYAWNLOO-SJORKVTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000568267165 491564690 /nfs/dbraw/zinc/56/46/90/491564690.db2.gz BSVVHQHFZFNRPG-ZWKOTPCHSA-N 2 2 358.486 0.713 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000568267165 491564692 /nfs/dbraw/zinc/56/46/92/491564692.db2.gz BSVVHQHFZFNRPG-ZWKOTPCHSA-N 2 2 358.486 0.713 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000575848258 491565093 /nfs/dbraw/zinc/56/50/93/491565093.db2.gz IZPCIECNRQGXIP-AWEZNQCLSA-N 2 2 356.430 0.675 20 0 FCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000575925389 491570687 /nfs/dbraw/zinc/57/06/87/491570687.db2.gz MISXKLPMFLOGNL-BBRMVZONSA-N 2 2 359.474 0.788 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000575985012 491573993 /nfs/dbraw/zinc/57/39/93/491573993.db2.gz WEMQNBGCVWCHSQ-KRWDZBQOSA-N 2 2 359.474 0.241 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000561151203 491578729 /nfs/dbraw/zinc/57/87/29/491578729.db2.gz KJYKMBGBUYWRSC-HZPDHXFCSA-N 2 2 374.489 0.560 20 0 FCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000576058224 491579581 /nfs/dbraw/zinc/57/95/81/491579581.db2.gz DEAIDZNWVOGOOH-BXUZGUMPSA-N 2 2 351.476 0.792 20 0 FCADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000568499998 491580619 /nfs/dbraw/zinc/58/06/19/491580619.db2.gz MKYFVQWSWRSIRD-JKSUJKDBSA-N 2 2 356.430 0.885 20 0 FCADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000568499998 491580620 /nfs/dbraw/zinc/58/06/20/491580620.db2.gz MKYFVQWSWRSIRD-JKSUJKDBSA-N 2 2 356.430 0.885 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000568508593 491581116 /nfs/dbraw/zinc/58/11/16/491581116.db2.gz ITXMSHONXKJKSQ-UXLLHSPISA-N 2 2 362.478 0.403 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000577047759 491583570 /nfs/dbraw/zinc/58/35/70/491583570.db2.gz YUACBDFGKWKOBP-BBWFWOEESA-N 2 2 366.506 0.347 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000561209359 491583641 /nfs/dbraw/zinc/58/36/41/491583641.db2.gz AIWMELXEJHZKPA-INIZCTEOSA-N 2 2 355.479 0.585 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000561209359 491583643 /nfs/dbraw/zinc/58/36/43/491583643.db2.gz AIWMELXEJHZKPA-INIZCTEOSA-N 2 2 355.479 0.585 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000576130807 491584226 /nfs/dbraw/zinc/58/42/26/491584226.db2.gz XHJYADKBLAOFGY-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP COc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000577068600 491585942 /nfs/dbraw/zinc/58/59/42/491585942.db2.gz SVHUWQRKQQOPSX-HNNXBMFYSA-N 2 2 351.422 0.857 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000561224293 491586270 /nfs/dbraw/zinc/58/62/70/491586270.db2.gz SFKOGAXAYREVFW-OEAJRASXSA-N 2 2 352.458 0.759 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000561224293 491586275 /nfs/dbraw/zinc/58/62/75/491586275.db2.gz SFKOGAXAYREVFW-OEAJRASXSA-N 2 2 352.458 0.759 20 0 FCADLP C[C@]1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000561243450 491589080 /nfs/dbraw/zinc/58/90/80/491589080.db2.gz WGOVYXWYPVORNO-FCEWJHQRSA-N 2 2 366.506 0.252 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584422311 491590510 /nfs/dbraw/zinc/59/05/10/491590510.db2.gz SHVVMXOHDPVQHV-CABCVRRESA-N 2 2 370.457 0.688 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447835 493353247 /nfs/dbraw/zinc/35/32/47/493353247.db2.gz OIIVXUMSPLIJOE-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447835 493353249 /nfs/dbraw/zinc/35/32/49/493353249.db2.gz OIIVXUMSPLIJOE-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000568616549 491592548 /nfs/dbraw/zinc/59/25/48/491592548.db2.gz HLQMQTKYPWOENT-QGZVFWFLSA-N 2 2 353.488 0.642 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000568616549 491592551 /nfs/dbraw/zinc/59/25/51/491592551.db2.gz HLQMQTKYPWOENT-QGZVFWFLSA-N 2 2 353.488 0.642 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000660469815 493353553 /nfs/dbraw/zinc/35/35/53/493353553.db2.gz KWEKIAWDBRTCPQ-SFHVURJKSA-N 3 2 352.523 0.774 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000660469815 493353557 /nfs/dbraw/zinc/35/35/57/493353557.db2.gz KWEKIAWDBRTCPQ-SFHVURJKSA-N 3 2 352.523 0.774 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000561337698 491598245 /nfs/dbraw/zinc/59/82/45/491598245.db2.gz QDDKBORQAGQUQY-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000561337698 491598246 /nfs/dbraw/zinc/59/82/46/491598246.db2.gz QDDKBORQAGQUQY-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000577193001 491600409 /nfs/dbraw/zinc/60/04/09/491600409.db2.gz WPYUXJMEDRYGSE-GLQYFDAESA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000577193001 491600412 /nfs/dbraw/zinc/60/04/12/491600412.db2.gz WPYUXJMEDRYGSE-GLQYFDAESA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584540602 491602366 /nfs/dbraw/zinc/60/23/66/491602366.db2.gz FWEXOHQZSSNXAU-UMVBOHGHSA-N 2 2 353.426 0.806 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584540602 491602371 /nfs/dbraw/zinc/60/23/71/491602371.db2.gz FWEXOHQZSSNXAU-UMVBOHGHSA-N 2 2 353.426 0.806 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561425980 491606881 /nfs/dbraw/zinc/60/68/81/491606881.db2.gz OEZVTTNPUHTHTJ-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000561425980 491606883 /nfs/dbraw/zinc/60/68/83/491606883.db2.gz OEZVTTNPUHTHTJ-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000561604823 491620830 /nfs/dbraw/zinc/62/08/30/491620830.db2.gz WNQMALWGPOENBC-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000577606415 491635867 /nfs/dbraw/zinc/63/58/67/491635867.db2.gz HZAGAXXLMBPKGS-GDBMZVCRSA-N 2 2 351.495 0.452 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562000617 491646110 /nfs/dbraw/zinc/64/61/10/491646110.db2.gz VJGUEUVXPTYCSU-RBSFLKMASA-N 2 2 362.478 0.214 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562000617 491646112 /nfs/dbraw/zinc/64/61/12/491646112.db2.gz VJGUEUVXPTYCSU-RBSFLKMASA-N 2 2 362.478 0.214 20 0 FCADLP C[C@@]1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000577740950 491648017 /nfs/dbraw/zinc/64/80/17/491648017.db2.gz IVSWGASVKGDNQL-DNVCBOLYSA-N 2 2 374.489 0.398 20 0 FCADLP C[C@@]1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000577740950 491648020 /nfs/dbraw/zinc/64/80/20/491648020.db2.gz IVSWGASVKGDNQL-DNVCBOLYSA-N 2 2 374.489 0.398 20 0 FCADLP C[C@]1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000577740952 491648202 /nfs/dbraw/zinc/64/82/02/491648202.db2.gz IVSWGASVKGDNQL-KXBFYZLASA-N 2 2 374.489 0.398 20 0 FCADLP C[C@]1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000577740952 491648205 /nfs/dbraw/zinc/64/82/05/491648205.db2.gz IVSWGASVKGDNQL-KXBFYZLASA-N 2 2 374.489 0.398 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000577747434 491648797 /nfs/dbraw/zinc/64/87/97/491648797.db2.gz YEHXYFJRGBXFGP-IAGOWNOFSA-N 3 2 366.531 0.982 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000569338296 491653491 /nfs/dbraw/zinc/65/34/91/491653491.db2.gz NMFMECWTSFRACC-QGZVFWFLSA-N 2 2 373.501 0.968 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCNC2=O)c1)[C@H]1CCNC1=O ZINC000577824045 491654614 /nfs/dbraw/zinc/65/46/14/491654614.db2.gz SFULVIGBYLMLOE-IYBDPMFKSA-N 2 2 364.877 0.981 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCNC2=O)c1)[C@H]1CCNC1=O ZINC000577824045 491654615 /nfs/dbraw/zinc/65/46/15/491654615.db2.gz SFULVIGBYLMLOE-IYBDPMFKSA-N 2 2 364.877 0.981 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCNC2=O)c1)[C@@H]1CCNC1=O ZINC000577824045 491654617 /nfs/dbraw/zinc/65/46/17/491654617.db2.gz SFULVIGBYLMLOE-IYBDPMFKSA-N 2 2 364.877 0.981 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCNC2=O)c1)[C@@H]1CCNC1=O ZINC000577824045 491654619 /nfs/dbraw/zinc/65/46/19/491654619.db2.gz SFULVIGBYLMLOE-IYBDPMFKSA-N 2 2 364.877 0.981 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000577841488 491656180 /nfs/dbraw/zinc/65/61/80/491656180.db2.gz RAFCBNNYBRKSAT-HNNXBMFYSA-N 2 2 356.488 0.920 20 0 FCADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000569396290 491659327 /nfs/dbraw/zinc/65/93/27/491659327.db2.gz MNCKFIKGKBPLSY-MRXNPFEDSA-N 2 2 355.442 0.899 20 0 FCADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000569396290 491659330 /nfs/dbraw/zinc/65/93/30/491659330.db2.gz MNCKFIKGKBPLSY-MRXNPFEDSA-N 2 2 355.442 0.899 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000569459696 491663713 /nfs/dbraw/zinc/66/37/13/491663713.db2.gz VNPFMXNDKBXOOT-KRWDZBQOSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577942101 491664151 /nfs/dbraw/zinc/66/41/51/491664151.db2.gz SPGDXDLAEMPJHM-DJIMGWMZSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577942101 491664155 /nfs/dbraw/zinc/66/41/55/491664155.db2.gz SPGDXDLAEMPJHM-DJIMGWMZSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCC[NH2+]C1 ZINC000578052085 491668837 /nfs/dbraw/zinc/66/88/37/491668837.db2.gz JUHXSVITNWGFTO-YQQAZPJKSA-N 2 2 356.536 0.882 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000578053865 491668863 /nfs/dbraw/zinc/66/88/63/491668863.db2.gz NZLHZRBUDPRHTF-ZDUSSCGKSA-N 2 2 368.840 0.648 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000578053865 491668864 /nfs/dbraw/zinc/66/88/64/491668864.db2.gz NZLHZRBUDPRHTF-ZDUSSCGKSA-N 2 2 368.840 0.648 20 0 FCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097302 491669988 /nfs/dbraw/zinc/66/99/88/491669988.db2.gz QZTHJEKESQUKSS-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097302 491669989 /nfs/dbraw/zinc/66/99/89/491669989.db2.gz QZTHJEKESQUKSS-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000578108229 491670067 /nfs/dbraw/zinc/67/00/67/491670067.db2.gz QIYSZORRSMXGLE-MRXNPFEDSA-N 2 2 362.478 0.611 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000578108229 491670068 /nfs/dbraw/zinc/67/00/68/491670068.db2.gz QIYSZORRSMXGLE-MRXNPFEDSA-N 2 2 362.478 0.611 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578248082 491673174 /nfs/dbraw/zinc/67/31/74/491673174.db2.gz TZYOQTSTLGKVFC-ROUUACIJSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578248082 491673175 /nfs/dbraw/zinc/67/31/75/491673175.db2.gz TZYOQTSTLGKVFC-ROUUACIJSA-N 2 2 374.485 0.472 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000578327621 491674842 /nfs/dbraw/zinc/67/48/42/491674842.db2.gz CXKVRMWTPDNIOB-OAHLLOKOSA-N 2 2 364.446 0.088 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578333998 491674983 /nfs/dbraw/zinc/67/49/83/491674983.db2.gz LWWMDBGNMVZNFK-CYBMUJFWSA-N 2 2 352.435 0.497 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578333998 491674984 /nfs/dbraw/zinc/67/49/84/491674984.db2.gz LWWMDBGNMVZNFK-CYBMUJFWSA-N 2 2 352.435 0.497 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)C[C@@H](C)O1 ZINC000578435397 491677096 /nfs/dbraw/zinc/67/70/96/491677096.db2.gz AQCTZMUOCBSWSR-CKEIUWERSA-N 2 2 368.499 0.576 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)C[C@@H](C)O1 ZINC000578435398 491677208 /nfs/dbraw/zinc/67/72/08/491677208.db2.gz AQCTZMUOCBSWSR-CPUCHLNUSA-N 2 2 368.499 0.576 20 0 FCADLP CC1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000578504196 491678462 /nfs/dbraw/zinc/67/84/62/491678462.db2.gz PRYUXIAXYGOJAL-UHFFFAOYSA-N 2 2 361.494 0.288 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000578530174 491679157 /nfs/dbraw/zinc/67/91/57/491679157.db2.gz UCPAEQAXDHKHIO-ARFHVFGLSA-N 2 2 353.511 0.840 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000578879072 491686304 /nfs/dbraw/zinc/68/63/04/491686304.db2.gz LQWFFTVRFMGBKX-OAHLLOKOSA-N 2 2 371.441 0.787 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000578879072 491686305 /nfs/dbraw/zinc/68/63/05/491686305.db2.gz LQWFFTVRFMGBKX-OAHLLOKOSA-N 2 2 371.441 0.787 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000578972244 491687985 /nfs/dbraw/zinc/68/79/85/491687985.db2.gz ZYFUHEFSSLGCHF-UHFFFAOYSA-N 2 2 361.490 0.041 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000579364522 491696464 /nfs/dbraw/zinc/69/64/64/491696464.db2.gz LURBQKVNLHYJDF-CABCVRRESA-N 2 2 361.490 0.819 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000579364522 491696465 /nfs/dbraw/zinc/69/64/65/491696465.db2.gz LURBQKVNLHYJDF-CABCVRRESA-N 2 2 361.490 0.819 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000579382810 491696915 /nfs/dbraw/zinc/69/69/15/491696915.db2.gz SRWBATXWDCBPBX-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000579382810 491696916 /nfs/dbraw/zinc/69/69/16/491696916.db2.gz SRWBATXWDCBPBX-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434164 491697885 /nfs/dbraw/zinc/69/78/85/491697885.db2.gz AYJGUMNSAIVTJE-JKSUJKDBSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434164 491697886 /nfs/dbraw/zinc/69/78/86/491697886.db2.gz AYJGUMNSAIVTJE-JKSUJKDBSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434164 491697887 /nfs/dbraw/zinc/69/78/87/491697887.db2.gz AYJGUMNSAIVTJE-JKSUJKDBSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434164 491697888 /nfs/dbraw/zinc/69/78/88/491697888.db2.gz AYJGUMNSAIVTJE-JKSUJKDBSA-N 2 2 350.463 0.010 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000579491409 491699127 /nfs/dbraw/zinc/69/91/27/491699127.db2.gz ANCIUWDXZFIPNI-YJBOKZPZSA-N 2 2 371.485 0.994 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000579491409 491699128 /nfs/dbraw/zinc/69/91/28/491699128.db2.gz ANCIUWDXZFIPNI-YJBOKZPZSA-N 2 2 371.485 0.994 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000579570893 491700625 /nfs/dbraw/zinc/70/06/25/491700625.db2.gz BESXWASIZFJILE-GJZGRUSLSA-N 2 2 367.519 0.324 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000579856776 491707110 /nfs/dbraw/zinc/70/71/10/491707110.db2.gz XKHWWTFESBFPIF-IAGOWNOFSA-N 2 2 371.547 0.355 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000584580655 491708396 /nfs/dbraw/zinc/70/83/96/491708396.db2.gz WELBCDOTCJAESG-HZPDHXFCSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000579958547 491711216 /nfs/dbraw/zinc/71/12/16/491711216.db2.gz JFNIGFMMWJLPRN-HZPDHXFCSA-N 2 2 362.474 0.452 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580002956 491713437 /nfs/dbraw/zinc/71/34/37/491713437.db2.gz YOBFIBAKBVNDMY-XKQJLSEDSA-N 2 2 358.442 0.660 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580002956 491713439 /nfs/dbraw/zinc/71/34/39/491713439.db2.gz YOBFIBAKBVNDMY-XKQJLSEDSA-N 2 2 358.442 0.660 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046203 491714772 /nfs/dbraw/zinc/71/47/72/491714772.db2.gz DQSNQKCDPKXRCI-SJORKVTESA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046203 491714774 /nfs/dbraw/zinc/71/47/74/491714774.db2.gz DQSNQKCDPKXRCI-SJORKVTESA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046203 491714775 /nfs/dbraw/zinc/71/47/75/491714775.db2.gz DQSNQKCDPKXRCI-SJORKVTESA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046203 491714777 /nfs/dbraw/zinc/71/47/77/491714777.db2.gz DQSNQKCDPKXRCI-SJORKVTESA-N 2 2 354.458 0.717 20 0 FCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000584847521 491716909 /nfs/dbraw/zinc/71/69/09/491716909.db2.gz QAUGELCIBMLANV-UHFFFAOYSA-N 2 2 368.400 0.590 20 0 FCADLP CCN(CC)C(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000580419634 491730591 /nfs/dbraw/zinc/73/05/91/491730591.db2.gz JKSWMRWNLKAVIY-QGZVFWFLSA-N 2 2 361.490 0.953 20 0 FCADLP CCN(CC)C(=O)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000580419634 491730592 /nfs/dbraw/zinc/73/05/92/491730592.db2.gz JKSWMRWNLKAVIY-QGZVFWFLSA-N 2 2 361.490 0.953 20 0 FCADLP O=C(CN1CCn2c[nH+]cc2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000660578949 493362692 /nfs/dbraw/zinc/36/26/92/493362692.db2.gz SBQHCYIZIXNOGD-UHFFFAOYSA-N 2 2 369.469 0.847 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C[NH3+])C1 ZINC000580532313 491734590 /nfs/dbraw/zinc/73/45/90/491734590.db2.gz IYQSTMKWNMZFRC-VIFPVBQESA-N 2 2 351.398 0.989 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)[C@@H](C[NH3+])C1 ZINC000580532313 491734591 /nfs/dbraw/zinc/73/45/91/491734591.db2.gz IYQSTMKWNMZFRC-VIFPVBQESA-N 2 2 351.398 0.989 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000580543531 491735256 /nfs/dbraw/zinc/73/52/56/491735256.db2.gz GXHPLEPRDIFJLX-BDUQCRIQSA-N 2 2 369.550 0.814 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000580630055 491739344 /nfs/dbraw/zinc/73/93/44/491739344.db2.gz BBIJAQNNCRPWAZ-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000580645180 491739914 /nfs/dbraw/zinc/73/99/14/491739914.db2.gz ZCZYUPXBEWITBK-KRWDZBQOSA-N 2 2 366.469 0.974 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000580663237 491740743 /nfs/dbraw/zinc/74/07/43/491740743.db2.gz MCLGXHZSXCNNEG-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000580663237 491740745 /nfs/dbraw/zinc/74/07/45/491740745.db2.gz MCLGXHZSXCNNEG-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000588236351 491742846 /nfs/dbraw/zinc/74/28/46/491742846.db2.gz FSBZHEIXMWWYNZ-CQSZACIVSA-N 2 2 368.547 0.673 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000588236351 491742847 /nfs/dbraw/zinc/74/28/47/491742847.db2.gz FSBZHEIXMWWYNZ-CQSZACIVSA-N 2 2 368.547 0.673 20 0 FCADLP Cc1cc(C)nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000683663994 493363542 /nfs/dbraw/zinc/36/35/42/493363542.db2.gz YOBAMIKPOCBKOJ-HNNXBMFYSA-N 2 2 359.474 0.922 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581185281 491762814 /nfs/dbraw/zinc/76/28/14/491762814.db2.gz PFZRHNJPHNPAKU-XGXHKWSGSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000581185281 491762815 /nfs/dbraw/zinc/76/28/15/491762815.db2.gz PFZRHNJPHNPAKU-XGXHKWSGSA-N 2 2 370.497 0.915 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)CC2 ZINC000581195706 491763366 /nfs/dbraw/zinc/76/33/66/491763366.db2.gz TWYMIVUBBMCFKY-WMZOPIPTSA-N 2 2 362.474 0.704 20 0 FCADLP C[NH+]1CCC(CNC(=O)N2CCOC[C@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000581236286 491765049 /nfs/dbraw/zinc/76/50/49/491765049.db2.gz VTGSTZYMDGJZOD-MRXNPFEDSA-N 2 2 354.495 0.339 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000581438268 491773154 /nfs/dbraw/zinc/77/31/54/491773154.db2.gz KUOPFOBMIPCJJA-KRWDZBQOSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000581438268 491773155 /nfs/dbraw/zinc/77/31/55/491773155.db2.gz KUOPFOBMIPCJJA-KRWDZBQOSA-N 2 2 358.486 0.917 20 0 FCADLP CN(C)[C@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1c[nH+]cn1C ZINC000581472581 491774358 /nfs/dbraw/zinc/77/43/58/491774358.db2.gz AZSICILKEIRMLD-SFHVURJKSA-N 2 2 363.506 0.984 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000581872395 491788185 /nfs/dbraw/zinc/78/81/85/491788185.db2.gz ZZODAYFHSPLWJB-INIZCTEOSA-N 2 2 351.426 0.769 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000581872395 491788186 /nfs/dbraw/zinc/78/81/86/491788186.db2.gz ZZODAYFHSPLWJB-INIZCTEOSA-N 2 2 351.426 0.769 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC000581879444 491788687 /nfs/dbraw/zinc/78/86/87/491788687.db2.gz KQSLJZLAZQTJCP-KRWDZBQOSA-N 2 2 361.490 0.328 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC000581879444 491788689 /nfs/dbraw/zinc/78/86/89/491788689.db2.gz KQSLJZLAZQTJCP-KRWDZBQOSA-N 2 2 361.490 0.328 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000582053263 491795736 /nfs/dbraw/zinc/79/57/36/491795736.db2.gz SXKXLGTXQIJTKI-CYBMUJFWSA-N 2 2 368.384 0.926 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000582053263 491795738 /nfs/dbraw/zinc/79/57/38/491795738.db2.gz SXKXLGTXQIJTKI-CYBMUJFWSA-N 2 2 368.384 0.926 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+](C)C1 ZINC000591175311 491798031 /nfs/dbraw/zinc/79/80/31/491798031.db2.gz XUJDRPRGMFWZJK-DOTOQJQBSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+](C)C1 ZINC000591175311 491798032 /nfs/dbraw/zinc/79/80/32/491798032.db2.gz XUJDRPRGMFWZJK-DOTOQJQBSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175311 491798033 /nfs/dbraw/zinc/79/80/33/491798033.db2.gz XUJDRPRGMFWZJK-DOTOQJQBSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175311 491798034 /nfs/dbraw/zinc/79/80/34/491798034.db2.gz XUJDRPRGMFWZJK-DOTOQJQBSA-N 2 2 360.458 0.919 20 0 FCADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000582123173 491798985 /nfs/dbraw/zinc/79/89/85/491798985.db2.gz LIGKKCSEJNQVLR-KRWDZBQOSA-N 2 2 366.469 0.802 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@H](C[NH3+])C1 ZINC000582290173 491805784 /nfs/dbraw/zinc/80/57/84/491805784.db2.gz PAUTVJFOOSYHSM-CYBMUJFWSA-N 2 2 374.411 1.187 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@H](C[NH3+])C1 ZINC000582290173 491805785 /nfs/dbraw/zinc/80/57/85/491805785.db2.gz PAUTVJFOOSYHSM-CYBMUJFWSA-N 2 2 374.411 1.187 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000591600739 491810393 /nfs/dbraw/zinc/81/03/93/491810393.db2.gz MQYVZVUMNQIVFC-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000591600739 491810394 /nfs/dbraw/zinc/81/03/94/491810394.db2.gz MQYVZVUMNQIVFC-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000591600739 491810395 /nfs/dbraw/zinc/81/03/95/491810395.db2.gz MQYVZVUMNQIVFC-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000591600739 491810396 /nfs/dbraw/zinc/81/03/96/491810396.db2.gz MQYVZVUMNQIVFC-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000582603735 491819348 /nfs/dbraw/zinc/81/93/48/491819348.db2.gz QGILEQRQUUSMOJ-GDBMZVCRSA-N 2 2 359.405 0.633 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1C[NH3+] ZINC000582779454 491826221 /nfs/dbraw/zinc/82/62/21/491826221.db2.gz CKGDWWUWMLSIME-GOEBONIOSA-N 2 2 364.515 0.836 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCO1 ZINC000583000628 491835929 /nfs/dbraw/zinc/83/59/29/491835929.db2.gz JDSQABQESXCYLH-QGZVFWFLSA-N 2 2 355.527 0.424 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCO1 ZINC000583000628 491835931 /nfs/dbraw/zinc/83/59/31/491835931.db2.gz JDSQABQESXCYLH-QGZVFWFLSA-N 2 2 355.527 0.424 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000583334871 491842842 /nfs/dbraw/zinc/84/28/42/491842842.db2.gz PATXDOWLPRQXKT-HNNXBMFYSA-N 2 2 367.519 0.406 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000583371057 491843501 /nfs/dbraw/zinc/84/35/01/491843501.db2.gz VEXJQTUVFPYUQH-WBVHZDCISA-N 2 2 365.522 0.842 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC000583437956 491844946 /nfs/dbraw/zinc/84/49/46/491844946.db2.gz MYUDILKDXAGEIV-MOPGFXCFSA-N 2 2 374.485 0.235 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC000583476977 491845633 /nfs/dbraw/zinc/84/56/33/491845633.db2.gz BOWSNCOXVHGYLV-CVEARBPZSA-N 2 2 368.522 0.489 20 0 FCADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCO1 ZINC000583489022 491846060 /nfs/dbraw/zinc/84/60/60/491846060.db2.gz HIUNBFQSQVHULP-ZIAGYGMSSA-N 2 2 354.476 0.409 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000583493960 491846063 /nfs/dbraw/zinc/84/60/63/491846063.db2.gz UYBFASJKIFSMBN-RBUKOAKNSA-N 2 2 370.497 0.707 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583527016 491846783 /nfs/dbraw/zinc/84/67/83/491846783.db2.gz KPVDKXHEAWNVBW-GOEBONIOSA-N 2 2 374.489 0.382 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583527016 491846784 /nfs/dbraw/zinc/84/67/84/491846784.db2.gz KPVDKXHEAWNVBW-GOEBONIOSA-N 2 2 374.489 0.382 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587971 491848200 /nfs/dbraw/zinc/84/82/00/491848200.db2.gz KBZWTYVKTSGWIS-HOTGVXAUSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587971 491848201 /nfs/dbraw/zinc/84/82/01/491848201.db2.gz KBZWTYVKTSGWIS-HOTGVXAUSA-N 2 2 353.488 0.067 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000583629990 491848950 /nfs/dbraw/zinc/84/89/50/491848950.db2.gz ZTBFMHIMNOKTHY-UHFFFAOYSA-N 2 2 373.501 0.681 20 0 FCADLP [NH3+]C1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCCC1 ZINC000583681208 491849802 /nfs/dbraw/zinc/84/98/02/491849802.db2.gz LPDQBMHUTYVLTH-UHFFFAOYSA-N 2 2 350.467 0.998 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000583683298 491849980 /nfs/dbraw/zinc/84/99/80/491849980.db2.gz DXPASIOWOGYNEE-HUUCEWRRSA-N 2 2 362.478 0.214 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000583828908 491852909 /nfs/dbraw/zinc/85/29/09/491852909.db2.gz BWSIGFLPVGIYKG-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2CCC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000583828908 491852910 /nfs/dbraw/zinc/85/29/10/491852910.db2.gz BWSIGFLPVGIYKG-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000583828908 491852911 /nfs/dbraw/zinc/85/29/11/491852911.db2.gz BWSIGFLPVGIYKG-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000583828908 491852912 /nfs/dbraw/zinc/85/29/12/491852912.db2.gz BWSIGFLPVGIYKG-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC)c1 ZINC000584239438 491861278 /nfs/dbraw/zinc/86/12/78/491861278.db2.gz ALUDDOWBOQIULA-HIFRSBDPSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC)c1 ZINC000584239438 491861279 /nfs/dbraw/zinc/86/12/79/491861279.db2.gz ALUDDOWBOQIULA-HIFRSBDPSA-N 2 2 359.492 0.184 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000584288901 491862236 /nfs/dbraw/zinc/86/22/36/491862236.db2.gz KIHVLOCRQZBCMY-AWEZNQCLSA-N 2 2 351.476 0.046 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000584288901 491862237 /nfs/dbraw/zinc/86/22/37/491862237.db2.gz KIHVLOCRQZBCMY-AWEZNQCLSA-N 2 2 351.476 0.046 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720813 491878562 /nfs/dbraw/zinc/87/85/62/491878562.db2.gz ICCLFDVPLRWJEA-SRVKXCTJSA-N 2 2 351.369 0.610 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720813 491878564 /nfs/dbraw/zinc/87/85/64/491878564.db2.gz ICCLFDVPLRWJEA-SRVKXCTJSA-N 2 2 351.369 0.610 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842178 491886651 /nfs/dbraw/zinc/88/66/51/491886651.db2.gz NADGPRWQSSRTDJ-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842178 491886652 /nfs/dbraw/zinc/88/66/52/491886652.db2.gz NADGPRWQSSRTDJ-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000600842178 491886653 /nfs/dbraw/zinc/88/66/53/491886653.db2.gz NADGPRWQSSRTDJ-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+]1CCOCC1 ZINC000600842178 491886654 /nfs/dbraw/zinc/88/66/54/491886654.db2.gz NADGPRWQSSRTDJ-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP COC(=O)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000601023491 491893419 /nfs/dbraw/zinc/89/34/19/491893419.db2.gz BAJKYQHKDDFHBJ-UHFFFAOYSA-N 2 2 363.462 0.495 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612044818 491894526 /nfs/dbraw/zinc/89/45/26/491894526.db2.gz OQPPJGGSCPDSLH-GVDBMIGSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612044818 491894528 /nfs/dbraw/zinc/89/45/28/491894528.db2.gz OQPPJGGSCPDSLH-GVDBMIGSSA-N 2 2 364.490 0.053 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000601155670 491897676 /nfs/dbraw/zinc/89/76/76/491897676.db2.gz KVSVJSCJLGTJKM-AWEZNQCLSA-N 2 2 363.462 0.447 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000601155670 491897679 /nfs/dbraw/zinc/89/76/79/491897679.db2.gz KVSVJSCJLGTJKM-AWEZNQCLSA-N 2 2 363.462 0.447 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000601293940 491902285 /nfs/dbraw/zinc/90/22/85/491902285.db2.gz MGWRXJQUONSLJK-WBTNSWJXSA-N 2 2 362.474 0.948 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000601293940 491902287 /nfs/dbraw/zinc/90/22/87/491902287.db2.gz MGWRXJQUONSLJK-WBTNSWJXSA-N 2 2 362.474 0.948 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000612316225 491910338 /nfs/dbraw/zinc/91/03/38/491910338.db2.gz KRHGSCKISZPLDM-IRXDYDNUSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000612316225 491910340 /nfs/dbraw/zinc/91/03/40/491910340.db2.gz KRHGSCKISZPLDM-IRXDYDNUSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000612484345 491924667 /nfs/dbraw/zinc/92/46/67/491924667.db2.gz ASPDBTARQLGFEU-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CN(C(=O)CCCCCNC(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472722 491924914 /nfs/dbraw/zinc/92/49/14/491924914.db2.gz PXZFPZWCKLXVDL-MRXNPFEDSA-N 2 2 353.511 0.842 20 0 FCADLP CN(C(=O)CCCCCNC(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472722 491924917 /nfs/dbraw/zinc/92/49/17/491924917.db2.gz PXZFPZWCKLXVDL-MRXNPFEDSA-N 2 2 353.511 0.842 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000612547044 491932744 /nfs/dbraw/zinc/93/27/44/491932744.db2.gz YNJWJOLVOINXPM-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000612547044 491932746 /nfs/dbraw/zinc/93/27/46/491932746.db2.gz YNJWJOLVOINXPM-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471101 491934600 /nfs/dbraw/zinc/93/46/00/491934600.db2.gz WVUGENDODUATCC-LSDHHAIUSA-N 2 2 356.467 0.034 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471101 491934602 /nfs/dbraw/zinc/93/46/02/491934602.db2.gz WVUGENDODUATCC-LSDHHAIUSA-N 2 2 356.467 0.034 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478105 491935571 /nfs/dbraw/zinc/93/55/71/491935571.db2.gz ZJORPIOLTFRYOW-JKSUJKDBSA-N 2 2 353.463 0.195 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478105 491935573 /nfs/dbraw/zinc/93/55/73/491935573.db2.gz ZJORPIOLTFRYOW-JKSUJKDBSA-N 2 2 353.463 0.195 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000595546644 491941116 /nfs/dbraw/zinc/94/11/16/491941116.db2.gz LKASNGAEPSOOSU-UHFFFAOYSA-N 2 2 355.479 0.631 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1)N1CCCC1 ZINC000612906650 491958224 /nfs/dbraw/zinc/95/82/24/491958224.db2.gz UKRCKXYBVXFLBU-DLBZAZTESA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1)N1CCCC1 ZINC000612906650 491958226 /nfs/dbraw/zinc/95/82/26/491958226.db2.gz UKRCKXYBVXFLBU-DLBZAZTESA-N 2 2 363.506 0.563 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000595956028 491965320 /nfs/dbraw/zinc/96/53/20/491965320.db2.gz OWWZTDZFKIKXRW-UHFFFAOYSA-N 2 2 361.442 0.280 20 0 FCADLP COCCn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1=O ZINC000602196512 491967262 /nfs/dbraw/zinc/96/72/62/491967262.db2.gz WCURKBIPQQMENW-INIZCTEOSA-N 2 2 362.474 0.393 20 0 FCADLP COCCn1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1=O ZINC000602196512 491967264 /nfs/dbraw/zinc/96/72/64/491967264.db2.gz WCURKBIPQQMENW-INIZCTEOSA-N 2 2 362.474 0.393 20 0 FCADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000595991263 491969758 /nfs/dbraw/zinc/96/97/58/491969758.db2.gz QUOLHNFKJFZKIL-ZOBUZTSGSA-N 2 2 356.426 0.869 20 0 FCADLP COC(=O)c1cnc([C@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)s1 ZINC000595995588 491970610 /nfs/dbraw/zinc/97/06/10/491970610.db2.gz PINPPNXVUYOFQC-RYUDHWBXSA-N 2 2 354.476 0.915 20 0 FCADLP Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(=O)n(-c2ccccc2)n1C ZINC000613552597 491985729 /nfs/dbraw/zinc/98/57/29/491985729.db2.gz MTYUYFOISMGTDV-ARFHVFGLSA-N 2 2 369.469 0.963 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000602503243 491989839 /nfs/dbraw/zinc/98/98/39/491989839.db2.gz PDJQRPQAOOLGQQ-PBHICJAKSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000602503243 491989841 /nfs/dbraw/zinc/98/98/41/491989841.db2.gz PDJQRPQAOOLGQQ-PBHICJAKSA-N 2 2 363.458 0.661 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212816 492022668 /nfs/dbraw/zinc/02/26/68/492022668.db2.gz BMDJTLGZIWUKLR-IAGOWNOFSA-N 2 2 367.490 0.772 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212816 492022670 /nfs/dbraw/zinc/02/26/70/492022670.db2.gz BMDJTLGZIWUKLR-IAGOWNOFSA-N 2 2 367.490 0.772 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOC[C@H]3CCOC3)C2)CC1 ZINC000604196160 492054304 /nfs/dbraw/zinc/05/43/04/492054304.db2.gz DAUPIWWLHDFXRO-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOC[C@H]3CCOC3)C2)CC1 ZINC000604196160 492054305 /nfs/dbraw/zinc/05/43/05/492054305.db2.gz DAUPIWWLHDFXRO-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606023376 492111704 /nfs/dbraw/zinc/11/17/04/492111704.db2.gz GGYQOVSLZCTNSH-UHFFFAOYSA-N 2 2 361.446 0.289 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607245338 492142361 /nfs/dbraw/zinc/14/23/61/492142361.db2.gz LDZGLVJVDVOZKR-KRWDZBQOSA-N 4 2 368.570 0.290 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607245338 492142362 /nfs/dbraw/zinc/14/23/62/492142362.db2.gz LDZGLVJVDVOZKR-KRWDZBQOSA-N 4 2 368.570 0.290 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000608690706 492187186 /nfs/dbraw/zinc/18/71/86/492187186.db2.gz GBZWIXPRILHPQT-OAHLLOKOSA-N 2 2 362.478 0.817 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000608690706 492187187 /nfs/dbraw/zinc/18/71/87/492187187.db2.gz GBZWIXPRILHPQT-OAHLLOKOSA-N 2 2 362.478 0.817 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@H](O)[C@@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000608718853 492189212 /nfs/dbraw/zinc/18/92/12/492189212.db2.gz UFPPHQUDVYNQAP-SJORKVTESA-N 2 2 368.522 0.633 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000611088313 492278014 /nfs/dbraw/zinc/27/80/14/492278014.db2.gz PELZIOMHXNLZDS-HOTGVXAUSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000611088313 492278015 /nfs/dbraw/zinc/27/80/15/492278015.db2.gz PELZIOMHXNLZDS-HOTGVXAUSA-N 2 2 370.563 0.825 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641756090 492302339 /nfs/dbraw/zinc/30/23/39/492302339.db2.gz AMHGLXOMUBGXPQ-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000641756090 492302343 /nfs/dbraw/zinc/30/23/43/492302343.db2.gz AMHGLXOMUBGXPQ-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)Cc3cnn(C)c3)c2cc1C ZINC000647537534 492303667 /nfs/dbraw/zinc/30/36/67/492303667.db2.gz MDJQQMZMCGMUBO-IAGOWNOFSA-N 2 2 357.458 0.941 20 0 FCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1C ZINC000641787227 492305810 /nfs/dbraw/zinc/30/58/10/492305810.db2.gz RZKYSBCSCGPFLC-MRXNPFEDSA-N 2 2 350.511 0.372 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627480220 492315678 /nfs/dbraw/zinc/31/56/78/492315678.db2.gz MQEIZLIIWCUSPA-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627480220 492315682 /nfs/dbraw/zinc/31/56/82/492315682.db2.gz MQEIZLIIWCUSPA-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647567984 492315969 /nfs/dbraw/zinc/31/59/69/492315969.db2.gz DVSCXGAEEJDZQP-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567984 492315972 /nfs/dbraw/zinc/31/59/72/492315972.db2.gz DVSCXGAEEJDZQP-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647567984 492315976 /nfs/dbraw/zinc/31/59/76/492315976.db2.gz DVSCXGAEEJDZQP-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567984 492315978 /nfs/dbraw/zinc/31/59/78/492315978.db2.gz DVSCXGAEEJDZQP-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[NH2+]1 ZINC000627478728 492316037 /nfs/dbraw/zinc/31/60/37/492316037.db2.gz RCDFNVHWENYWCW-SJORKVTESA-N 2 2 374.485 0.466 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841842 492318727 /nfs/dbraw/zinc/31/87/27/492318727.db2.gz YLMIFUFCRCGSSC-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841842 492318732 /nfs/dbraw/zinc/31/87/32/492318732.db2.gz YLMIFUFCRCGSSC-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841842 492318735 /nfs/dbraw/zinc/31/87/35/492318735.db2.gz YLMIFUFCRCGSSC-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841842 492318739 /nfs/dbraw/zinc/31/87/39/492318739.db2.gz YLMIFUFCRCGSSC-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)NS(C)(=O)=O)c2)CC1 ZINC000634195935 492326836 /nfs/dbraw/zinc/32/68/36/492326836.db2.gz KDGCKXUYHCJKRS-UHFFFAOYSA-N 2 2 355.464 0.100 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651141 492340899 /nfs/dbraw/zinc/34/08/99/492340899.db2.gz BAZZJRJZIZPRCN-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651141 492340902 /nfs/dbraw/zinc/34/09/02/492340902.db2.gz BAZZJRJZIZPRCN-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000647674129 492344089 /nfs/dbraw/zinc/34/40/89/492344089.db2.gz FKRCPLJOVVNFEZ-AWEZNQCLSA-N 2 2 351.451 0.640 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000654772928 492349545 /nfs/dbraw/zinc/34/95/45/492349545.db2.gz FONGJKMXQLLTDS-ZACQAIPSSA-N 2 2 352.523 0.924 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@@H]21 ZINC000642327462 492351224 /nfs/dbraw/zinc/35/12/24/492351224.db2.gz CNEKLQYSCSOTLK-OKZBNKHCSA-N 2 2 356.470 0.704 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000642337523 492352873 /nfs/dbraw/zinc/35/28/73/492352873.db2.gz XGOPOTMJXHZWKP-QKPAOTATSA-N 2 2 352.479 0.132 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642519156 492360707 /nfs/dbraw/zinc/36/07/07/492360707.db2.gz SXFWVBMYRWAMQA-CVEARBPZSA-N 2 2 357.458 0.508 20 0 FCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715550 492362802 /nfs/dbraw/zinc/36/28/02/492362802.db2.gz FSZUNRWYBMAAQK-IAGOWNOFSA-N 2 2 355.504 0.541 20 0 FCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715550 492362807 /nfs/dbraw/zinc/36/28/07/492362807.db2.gz FSZUNRWYBMAAQK-IAGOWNOFSA-N 2 2 355.504 0.541 20 0 FCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000647814806 492364886 /nfs/dbraw/zinc/36/48/86/492364886.db2.gz HAEZDYMBRKJQQN-UHFFFAOYSA-N 2 2 359.409 0.956 20 0 FCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000647814806 492364889 /nfs/dbraw/zinc/36/48/89/492364889.db2.gz HAEZDYMBRKJQQN-UHFFFAOYSA-N 2 2 359.409 0.956 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1)N1CC[NH2+]CC1 ZINC000647824826 492367591 /nfs/dbraw/zinc/36/75/91/492367591.db2.gz KZENLNJDWDPWNQ-AWEZNQCLSA-N 2 2 355.442 0.979 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1)N1CC[NH2+]CC1 ZINC000647824826 492367595 /nfs/dbraw/zinc/36/75/95/492367595.db2.gz KZENLNJDWDPWNQ-AWEZNQCLSA-N 2 2 355.442 0.979 20 0 FCADLP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000654928324 492380437 /nfs/dbraw/zinc/38/04/37/492380437.db2.gz KSNUVTZJYSJEJH-QGZVFWFLSA-N 2 2 371.547 0.357 20 0 FCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000655013681 492391056 /nfs/dbraw/zinc/39/10/56/492391056.db2.gz KIJWKLBNYKZYSY-XYJFISCASA-N 2 2 363.506 0.982 20 0 FCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000655013681 492391063 /nfs/dbraw/zinc/39/10/63/492391063.db2.gz KIJWKLBNYKZYSY-XYJFISCASA-N 2 2 363.506 0.982 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000642789298 492392686 /nfs/dbraw/zinc/39/26/86/492392686.db2.gz ZQSIXOTZZQNGOY-XOYOTBSWSA-N 2 2 356.470 0.875 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000642789298 492392689 /nfs/dbraw/zinc/39/26/89/492392689.db2.gz ZQSIXOTZZQNGOY-XOYOTBSWSA-N 2 2 356.470 0.875 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000621580651 492393781 /nfs/dbraw/zinc/39/37/81/492393781.db2.gz PIZLRBMMPHNQTN-NVXWUHKLSA-N 2 2 351.495 0.417 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000621580651 492393783 /nfs/dbraw/zinc/39/37/83/492393783.db2.gz PIZLRBMMPHNQTN-NVXWUHKLSA-N 2 2 351.495 0.417 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000642908524 492401330 /nfs/dbraw/zinc/40/13/30/492401330.db2.gz VQUQHGVQGMMEMM-CYBMUJFWSA-N 2 2 352.866 0.838 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000642908524 492401333 /nfs/dbraw/zinc/40/13/33/492401333.db2.gz VQUQHGVQGMMEMM-CYBMUJFWSA-N 2 2 352.866 0.838 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000642912386 492402158 /nfs/dbraw/zinc/40/21/58/492402158.db2.gz CKQWNBAOQRUEGR-CABCVRRESA-N 2 2 350.488 0.778 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000648123772 492402811 /nfs/dbraw/zinc/40/28/11/492402811.db2.gz IFIBSAKXGOVOBN-GDBMZVCRSA-N 2 2 365.499 0.846 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000643015554 492414397 /nfs/dbraw/zinc/41/43/97/492414397.db2.gz DRUVWWQCXKOZDT-QLFBSQMISA-N 2 2 373.501 0.933 20 0 FCADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000643082327 492418027 /nfs/dbraw/zinc/41/80/27/492418027.db2.gz SXPVBIKLXZWNQW-HOTGVXAUSA-N 2 2 363.458 0.725 20 0 FCADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000643082327 492418030 /nfs/dbraw/zinc/41/80/30/492418030.db2.gz SXPVBIKLXZWNQW-HOTGVXAUSA-N 2 2 363.458 0.725 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)[nH+]c12 ZINC000621840429 492422824 /nfs/dbraw/zinc/42/28/24/492422824.db2.gz ISRNSXSWCBPGQJ-KUHUBIRLSA-N 2 2 355.442 0.641 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622025898 492441829 /nfs/dbraw/zinc/44/18/29/492441829.db2.gz YTHYJCGJGUMZQG-WIYYLYMNSA-N 2 2 370.497 0.979 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000622025488 492442139 /nfs/dbraw/zinc/44/21/39/492442139.db2.gz QWWFKUKXYGWXPN-ABSDTBQOSA-N 2 2 356.470 0.842 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000622025488 492442141 /nfs/dbraw/zinc/44/21/41/492442141.db2.gz QWWFKUKXYGWXPN-ABSDTBQOSA-N 2 2 356.470 0.842 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000622029160 492444145 /nfs/dbraw/zinc/44/41/45/492444145.db2.gz AYSMNVQPGSYQAB-XLIONFOSSA-N 2 2 356.470 0.671 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC[NH2+]C3CC3)CC2)cc1 ZINC000655447722 492444216 /nfs/dbraw/zinc/44/42/16/492444216.db2.gz DESDTZVYBMHQBQ-UHFFFAOYSA-N 2 2 374.485 0.711 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000622031622 492445870 /nfs/dbraw/zinc/44/58/70/492445870.db2.gz QLVUGWWJQRNOAG-WAOWUJCRSA-N 2 2 370.497 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000622031622 492445873 /nfs/dbraw/zinc/44/58/73/492445873.db2.gz QLVUGWWJQRNOAG-WAOWUJCRSA-N 2 2 370.497 0.712 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397679 492447781 /nfs/dbraw/zinc/44/77/81/492447781.db2.gz IHZGSMIXMAVFTI-WMZOPIPTSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397679 492447785 /nfs/dbraw/zinc/44/77/85/492447785.db2.gz IHZGSMIXMAVFTI-WMZOPIPTSA-N 2 2 362.518 0.966 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000655508635 492449957 /nfs/dbraw/zinc/44/99/57/492449957.db2.gz VHQHNMVBYOXWBX-LRDDRELGSA-N 2 2 358.446 0.775 20 0 FCADLP CN(C(=O)Cc1nc(C2CC2)nn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648779941 492454734 /nfs/dbraw/zinc/45/47/34/492454734.db2.gz MMRJEAAIVXLPAI-MRXNPFEDSA-N 2 2 360.506 0.862 20 0 FCADLP CN(C(=O)Cc1nc(C2CC2)nn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648779941 492454737 /nfs/dbraw/zinc/45/47/37/492454737.db2.gz MMRJEAAIVXLPAI-MRXNPFEDSA-N 2 2 360.506 0.862 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421767 492455149 /nfs/dbraw/zinc/45/51/49/492455149.db2.gz IJFCYFMQORWTSG-IIAWOOMASA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421767 492455156 /nfs/dbraw/zinc/45/51/56/492455156.db2.gz IJFCYFMQORWTSG-IIAWOOMASA-N 2 2 368.547 0.624 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512571 492463127 /nfs/dbraw/zinc/46/31/27/492463127.db2.gz OAHIQUKEALONEW-MSOLQXFVSA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512571 492463131 /nfs/dbraw/zinc/46/31/31/492463131.db2.gz OAHIQUKEALONEW-MSOLQXFVSA-N 2 2 350.507 0.478 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000635553744 492470263 /nfs/dbraw/zinc/47/02/63/492470263.db2.gz DOVUZTHNAQWPQK-CABCVRRESA-N 2 2 362.478 0.348 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000635553744 492470265 /nfs/dbraw/zinc/47/02/65/492470265.db2.gz DOVUZTHNAQWPQK-CABCVRRESA-N 2 2 362.478 0.348 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628123108 492472896 /nfs/dbraw/zinc/47/28/96/492472896.db2.gz ANFJRVFRPKXJPK-GOSISDBHSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628123108 492472900 /nfs/dbraw/zinc/47/29/00/492472900.db2.gz ANFJRVFRPKXJPK-GOSISDBHSA-N 2 2 351.491 0.953 20 0 FCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NCC1CCC1 ZINC000655727768 492477968 /nfs/dbraw/zinc/47/79/68/492477968.db2.gz PWXOTDYYRNBPPG-KRWDZBQOSA-N 2 2 359.536 0.939 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cnc3ccccc3n2)CN1CC[NH+]1CCOCC1 ZINC000628233861 492482437 /nfs/dbraw/zinc/48/24/37/492482437.db2.gz YWBGUZKVDOYTFZ-HNNXBMFYSA-N 2 2 355.442 0.653 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1C ZINC000643503112 492483655 /nfs/dbraw/zinc/48/36/55/492483655.db2.gz KIBKXKJZJZJDCK-ZBFHGGJFSA-N 2 2 360.458 0.876 20 0 FCADLP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000635685512 492491381 /nfs/dbraw/zinc/49/13/81/492491381.db2.gz LKPYIKIFTQWDSF-QZTJIDSGSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000635685512 492491384 /nfs/dbraw/zinc/49/13/84/492491384.db2.gz LKPYIKIFTQWDSF-QZTJIDSGSA-N 2 2 351.491 0.953 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643541595 492495022 /nfs/dbraw/zinc/49/50/22/492495022.db2.gz XGNPNNFZOOBBOG-JKSUJKDBSA-N 2 2 357.458 0.107 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H]1C[NH3+] ZINC000643593369 492502868 /nfs/dbraw/zinc/50/28/68/492502868.db2.gz UUDONBVEQBYFCU-GOEBONIOSA-N 2 2 364.515 0.978 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635831288 492512576 /nfs/dbraw/zinc/51/25/76/492512576.db2.gz XEKBHUPGHHPCFF-HNNXBMFYSA-N 2 2 358.490 0.968 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635831288 492512580 /nfs/dbraw/zinc/51/25/80/492512580.db2.gz XEKBHUPGHHPCFF-HNNXBMFYSA-N 2 2 358.490 0.968 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649280970 492519785 /nfs/dbraw/zinc/51/97/85/492519785.db2.gz ZJGKJLMYIRVWSN-QGZVFWFLSA-N 2 2 370.457 0.575 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649295980 492524827 /nfs/dbraw/zinc/52/48/27/492524827.db2.gz NOZSOKZJMSWJNZ-AEFFLSMTSA-N 2 2 370.457 0.616 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)n2C ZINC000628584632 492525717 /nfs/dbraw/zinc/52/57/17/492525717.db2.gz HHSJBHAJMWUGBV-ZDUSSCGKSA-N 2 2 373.461 0.104 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)n2C ZINC000628584632 492525721 /nfs/dbraw/zinc/52/57/21/492525721.db2.gz HHSJBHAJMWUGBV-ZDUSSCGKSA-N 2 2 373.461 0.104 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CCC(C)(C)[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000649301124 492526489 /nfs/dbraw/zinc/52/64/89/492526489.db2.gz HAZUOAOPERQQJI-HOCLYGCPSA-N 2 2 356.511 0.483 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1CC)C(=O)NCC[NH+]1CCOCC1 ZINC000649301034 492526885 /nfs/dbraw/zinc/52/68/85/492526885.db2.gz CCUBYYKCZYVZPI-HZMVEIRTSA-N 2 2 368.522 0.354 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCc2cn3cc(C)ccc3[nH+]2)nn1 ZINC000649303587 492527735 /nfs/dbraw/zinc/52/77/35/492527735.db2.gz INQAADIICKCLRN-GOEBONIOSA-N 2 2 369.429 0.252 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077632 492538720 /nfs/dbraw/zinc/53/87/20/492538720.db2.gz RZRKRNWNCSMUQS-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077632 492538722 /nfs/dbraw/zinc/53/87/22/492538722.db2.gz RZRKRNWNCSMUQS-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077632 492538727 /nfs/dbraw/zinc/53/87/27/492538727.db2.gz RZRKRNWNCSMUQS-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077632 492538732 /nfs/dbraw/zinc/53/87/32/492538732.db2.gz RZRKRNWNCSMUQS-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP COCC[C@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717575 492540578 /nfs/dbraw/zinc/54/05/78/492540578.db2.gz VXZQRBSHJHLMCV-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP COCC[C@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717575 492540579 /nfs/dbraw/zinc/54/05/79/492540579.db2.gz VXZQRBSHJHLMCV-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346733 492540979 /nfs/dbraw/zinc/54/09/79/492540979.db2.gz DYLCLUVAKWXVPV-KGLIPLIRSA-N 2 2 358.433 0.386 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649352878 492546592 /nfs/dbraw/zinc/54/65/92/492546592.db2.gz RTCJPGYQQYICQD-HOCLYGCPSA-N 2 2 355.446 0.727 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000643781341 492557084 /nfs/dbraw/zinc/55/70/84/492557084.db2.gz RREIHGJEPWPLIV-CYBMUJFWSA-N 2 2 357.418 0.605 20 0 FCADLP CCO[C@@H]1COC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656247044 492566414 /nfs/dbraw/zinc/56/64/14/492566414.db2.gz MUKCHIGQBBZNOC-GVDBMIGSSA-N 2 2 354.495 0.600 20 0 FCADLP CCO[C@@H]1COC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656247044 492566418 /nfs/dbraw/zinc/56/64/18/492566418.db2.gz MUKCHIGQBBZNOC-GVDBMIGSSA-N 2 2 354.495 0.600 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000636224842 492567409 /nfs/dbraw/zinc/56/74/09/492567409.db2.gz PQLTYQNMTOCBIF-UHFFFAOYSA-N 2 2 353.507 0.916 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649761346 492581089 /nfs/dbraw/zinc/58/10/89/492581089.db2.gz VBUGNNBIEPWRMX-HUUCEWRRSA-N 2 2 353.488 0.474 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649761346 492581091 /nfs/dbraw/zinc/58/10/91/492581091.db2.gz VBUGNNBIEPWRMX-HUUCEWRRSA-N 2 2 353.488 0.474 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000636316557 492581395 /nfs/dbraw/zinc/58/13/95/492581395.db2.gz ZOTWFBRTGATPKN-UHFFFAOYSA-N 2 2 369.469 0.706 20 0 FCADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629173048 492581748 /nfs/dbraw/zinc/58/17/48/492581748.db2.gz ATFSNSCDDALGOZ-MAUKXSAKSA-N 2 2 364.465 0.519 20 0 FCADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629173048 492581750 /nfs/dbraw/zinc/58/17/50/492581750.db2.gz ATFSNSCDDALGOZ-MAUKXSAKSA-N 2 2 364.465 0.519 20 0 FCADLP C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000636318026 492582182 /nfs/dbraw/zinc/58/21/82/492582182.db2.gz ONHMBWJKXVTTHC-MRXNPFEDSA-N 2 2 358.486 0.666 20 0 FCADLP C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000636318026 492582185 /nfs/dbraw/zinc/58/21/85/492582185.db2.gz ONHMBWJKXVTTHC-MRXNPFEDSA-N 2 2 358.486 0.666 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636456545 492590830 /nfs/dbraw/zinc/59/08/30/492590830.db2.gz CYSBJOPAKLOXLJ-MRXNPFEDSA-N 2 2 371.441 0.385 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636456545 492590831 /nfs/dbraw/zinc/59/08/31/492590831.db2.gz CYSBJOPAKLOXLJ-MRXNPFEDSA-N 2 2 371.441 0.385 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000650005802 492605318 /nfs/dbraw/zinc/60/53/18/492605318.db2.gz JQXHWYKIIPUHGE-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000650005802 492605322 /nfs/dbraw/zinc/60/53/22/492605322.db2.gz JQXHWYKIIPUHGE-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636557353 492622097 /nfs/dbraw/zinc/62/20/97/492622097.db2.gz RHYQGGJTALSCAL-LPHOPBHVSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636557353 492622101 /nfs/dbraw/zinc/62/21/01/492622101.db2.gz RHYQGGJTALSCAL-LPHOPBHVSA-N 2 2 368.522 0.776 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC[NH+]2CCCCC2)[C@H]1c1[nH+]ccn1C ZINC000624135257 492623094 /nfs/dbraw/zinc/62/30/94/492623094.db2.gz XYASDMOCNLURJE-HOTGVXAUSA-N 2 2 363.462 0.311 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596628 492633679 /nfs/dbraw/zinc/63/36/79/492633679.db2.gz UDJGMNDJAHCGQR-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596628 492633682 /nfs/dbraw/zinc/63/36/82/492633682.db2.gz UDJGMNDJAHCGQR-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596628 492633684 /nfs/dbraw/zinc/63/36/84/492633684.db2.gz UDJGMNDJAHCGQR-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596628 492633686 /nfs/dbraw/zinc/63/36/86/492633686.db2.gz UDJGMNDJAHCGQR-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624335685 492638075 /nfs/dbraw/zinc/63/80/75/492638075.db2.gz XWLNHMUXFLBTDQ-YOEHRIQHSA-N 2 2 353.488 0.944 20 0 FCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624335685 492638081 /nfs/dbraw/zinc/63/80/81/492638081.db2.gz XWLNHMUXFLBTDQ-YOEHRIQHSA-N 2 2 353.488 0.944 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000629547676 492643522 /nfs/dbraw/zinc/64/35/22/492643522.db2.gz UBZDHPJSESKADQ-QGZVFWFLSA-N 2 2 363.506 0.563 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)c1 ZINC000629564507 492645274 /nfs/dbraw/zinc/64/52/74/492645274.db2.gz LQCXJODZYDJIRZ-YJBOKZPZSA-N 2 2 363.458 0.855 20 0 FCADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000629600894 492658905 /nfs/dbraw/zinc/65/89/05/492658905.db2.gz AXBUQQFTWDPTMF-UHFFFAOYSA-N 2 2 370.453 0.960 20 0 FCADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000629600894 492658910 /nfs/dbraw/zinc/65/89/10/492658910.db2.gz AXBUQQFTWDPTMF-UHFFFAOYSA-N 2 2 370.453 0.960 20 0 FCADLP CCC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707298 492667338 /nfs/dbraw/zinc/66/73/38/492667338.db2.gz KZLVERIVGZPNKT-WBVHZDCISA-N 2 2 368.522 0.593 20 0 FCADLP CCC[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707298 492667342 /nfs/dbraw/zinc/66/73/42/492667342.db2.gz KZLVERIVGZPNKT-WBVHZDCISA-N 2 2 368.522 0.593 20 0 FCADLP CCC[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707297 492668085 /nfs/dbraw/zinc/66/80/85/492668085.db2.gz KZLVERIVGZPNKT-RDJZCZTQSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707297 492668088 /nfs/dbraw/zinc/66/80/88/492668088.db2.gz KZLVERIVGZPNKT-RDJZCZTQSA-N 2 2 368.522 0.593 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000624733049 492677213 /nfs/dbraw/zinc/67/72/13/492677213.db2.gz RVHQZKFSTZAYAT-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000624733049 492677217 /nfs/dbraw/zinc/67/72/17/492677217.db2.gz RVHQZKFSTZAYAT-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629912904 492702482 /nfs/dbraw/zinc/70/24/82/492702482.db2.gz ATFSNSCDDALGOZ-QAPCUYQASA-N 2 2 364.465 0.519 20 0 FCADLP C[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629912904 492702487 /nfs/dbraw/zinc/70/24/87/492702487.db2.gz ATFSNSCDDALGOZ-QAPCUYQASA-N 2 2 364.465 0.519 20 0 FCADLP COc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000657092193 492715593 /nfs/dbraw/zinc/71/55/93/492715593.db2.gz GRGLULJVFHKZBY-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP COc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000657092193 492715596 /nfs/dbraw/zinc/71/55/96/492715596.db2.gz GRGLULJVFHKZBY-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921977 492729609 /nfs/dbraw/zinc/72/96/09/492729609.db2.gz OVZCRBSPWZESRO-OGWOLHLISA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921977 492729612 /nfs/dbraw/zinc/72/96/12/492729612.db2.gz OVZCRBSPWZESRO-OGWOLHLISA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636921977 492729614 /nfs/dbraw/zinc/72/96/14/492729614.db2.gz OVZCRBSPWZESRO-OGWOLHLISA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636921977 492729618 /nfs/dbraw/zinc/72/96/18/492729618.db2.gz OVZCRBSPWZESRO-OGWOLHLISA-N 2 2 366.506 0.384 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000625195341 492737776 /nfs/dbraw/zinc/73/77/76/492737776.db2.gz PCQYNXYIDAZNNI-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000625195341 492737778 /nfs/dbraw/zinc/73/77/78/492737778.db2.gz PCQYNXYIDAZNNI-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000630406284 492745463 /nfs/dbraw/zinc/74/54/63/492745463.db2.gz JRXVUWHEVCINMO-IYBDPMFKSA-N 2 2 358.446 0.819 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000630406283 492745822 /nfs/dbraw/zinc/74/58/22/492745822.db2.gz JRXVUWHEVCINMO-HZPDHXFCSA-N 2 2 358.446 0.819 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000644446524 492757012 /nfs/dbraw/zinc/75/70/12/492757012.db2.gz COUZMJAZEIGEAT-KURKYZTESA-N 3 2 367.538 0.299 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1 ZINC000644446524 492757016 /nfs/dbraw/zinc/75/70/16/492757016.db2.gz COUZMJAZEIGEAT-KURKYZTESA-N 3 2 367.538 0.299 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2[nH+]1 ZINC000657709481 492779604 /nfs/dbraw/zinc/77/96/04/492779604.db2.gz SJRZIMWPKTUYKH-UHFFFAOYSA-N 2 2 359.430 0.496 20 0 FCADLP Cc1cnn([C@H]2[C@H]([NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)C[C@@H]2O)c1 ZINC000657728504 492784036 /nfs/dbraw/zinc/78/40/36/492784036.db2.gz XTMJTRHPUJDSNW-IKGGRYGDSA-N 2 2 357.462 0.197 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1ccccc1 ZINC000644569121 492786040 /nfs/dbraw/zinc/78/60/40/492786040.db2.gz JMYACYRAEDJHPC-PMACEKPBSA-N 2 2 363.502 0.560 20 0 FCADLP CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1CC ZINC000644596454 492789867 /nfs/dbraw/zinc/78/98/67/492789867.db2.gz ZERKRWLYDHFTRU-MJBXVCDLSA-N 2 2 352.479 0.867 20 0 FCADLP CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1CC ZINC000644596454 492789870 /nfs/dbraw/zinc/78/98/70/492789870.db2.gz ZERKRWLYDHFTRU-MJBXVCDLSA-N 2 2 352.479 0.867 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3nnc4n3CCOC4)c2cc1C ZINC000644631838 492794276 /nfs/dbraw/zinc/79/42/76/492794276.db2.gz BTKIWUQOYMNJDZ-AWEZNQCLSA-N 2 2 356.430 0.926 20 0 FCADLP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631076950 492797456 /nfs/dbraw/zinc/79/74/56/492797456.db2.gz AWUVEOAJWSQWJR-UHFFFAOYSA-N 3 2 363.502 0.944 20 0 FCADLP O=C(NCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccn[nH]1 ZINC000631109262 492798327 /nfs/dbraw/zinc/79/83/27/492798327.db2.gz BKFCKVQGQKSPCS-UHFFFAOYSA-N 2 2 373.457 0.640 20 0 FCADLP c1nnn(-c2ccccc2)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651710609 492810737 /nfs/dbraw/zinc/81/07/37/492810737.db2.gz ICCNQSVXESEIBI-KRWDZBQOSA-N 2 2 356.474 0.763 20 0 FCADLP CC(C)(CNC(=O)CN1CCC([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000625550285 492817557 /nfs/dbraw/zinc/81/75/57/492817557.db2.gz VCOXIVXSHJXGPJ-UHFFFAOYSA-N 2 2 368.522 0.010 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccco1 ZINC000631655215 492830475 /nfs/dbraw/zinc/83/04/75/492830475.db2.gz XTIRJMQVYISBBX-HNNXBMFYSA-N 2 2 358.508 0.439 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000631679038 492833994 /nfs/dbraw/zinc/83/39/94/492833994.db2.gz PODODZXSDXQYFQ-UHFFFAOYSA-N 2 2 355.504 0.890 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000631720406 492841066 /nfs/dbraw/zinc/84/10/66/492841066.db2.gz ICLLSGNISADLJX-UHFFFAOYSA-N 2 2 354.476 0.432 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631773788 492850042 /nfs/dbraw/zinc/85/00/42/492850042.db2.gz SAJCYOMFUUOGFI-UHFFFAOYSA-N 3 2 360.568 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631773788 492850047 /nfs/dbraw/zinc/85/00/47/492850047.db2.gz SAJCYOMFUUOGFI-UHFFFAOYSA-N 3 2 360.568 0.760 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000637681280 492858546 /nfs/dbraw/zinc/85/85/46/492858546.db2.gz KFAGQXSLJLFCJV-QGZVFWFLSA-N 2 2 365.503 0.501 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000637681280 492858549 /nfs/dbraw/zinc/85/85/49/492858549.db2.gz KFAGQXSLJLFCJV-QGZVFWFLSA-N 2 2 365.503 0.501 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000637864315 492872963 /nfs/dbraw/zinc/87/29/63/492872963.db2.gz PMVJKQORYURIQK-YPMHNXCESA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000637864315 492872967 /nfs/dbraw/zinc/87/29/67/492872967.db2.gz PMVJKQORYURIQK-YPMHNXCESA-N 2 2 352.385 0.419 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233405 492881462 /nfs/dbraw/zinc/88/14/62/492881462.db2.gz DRBNNCWMVQGXEH-GOEBONIOSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233405 492881463 /nfs/dbraw/zinc/88/14/63/492881463.db2.gz DRBNNCWMVQGXEH-GOEBONIOSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000631944411 492894267 /nfs/dbraw/zinc/89/42/67/492894267.db2.gz XDTPDOPKLVYKLH-SFHVURJKSA-N 2 2 366.531 0.600 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000652223521 492896772 /nfs/dbraw/zinc/89/67/72/492896772.db2.gz HJRZNTUCZRXAGK-GVDBMIGSSA-N 2 2 354.495 0.365 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645393344 492902271 /nfs/dbraw/zinc/90/22/71/492902271.db2.gz QDPVMFYGGCQLFS-UHFFFAOYSA-N 3 2 367.538 0.519 20 0 FCADLP COC(C)(C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000645393457 492902309 /nfs/dbraw/zinc/90/23/09/492902309.db2.gz AWALVICJVSMNMI-OAHLLOKOSA-N 2 2 370.519 0.937 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116188 492909535 /nfs/dbraw/zinc/90/95/35/492909535.db2.gz HRBHIXKZDUNYMX-VQIMIIECSA-N 3 2 360.502 0.850 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116188 492909542 /nfs/dbraw/zinc/90/95/42/492909542.db2.gz HRBHIXKZDUNYMX-VQIMIIECSA-N 3 2 360.502 0.850 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cn1 ZINC000638112971 492910045 /nfs/dbraw/zinc/91/00/45/492910045.db2.gz OXMVIPVIHXAMAD-KRWDZBQOSA-N 2 2 355.442 0.609 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351388 492914475 /nfs/dbraw/zinc/91/44/75/492914475.db2.gz VKVMKZKWEGTZGF-YWZLYKJASA-N 2 2 374.485 0.964 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351388 492914477 /nfs/dbraw/zinc/91/44/77/492914477.db2.gz VKVMKZKWEGTZGF-YWZLYKJASA-N 2 2 374.485 0.964 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652350792 492914675 /nfs/dbraw/zinc/91/46/75/492914675.db2.gz IYPNGCFQQZPPJJ-LRDDRELGSA-N 2 2 352.460 0.333 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652350792 492914679 /nfs/dbraw/zinc/91/46/79/492914679.db2.gz IYPNGCFQQZPPJJ-LRDDRELGSA-N 2 2 352.460 0.333 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2C1=O ZINC000652351137 492915105 /nfs/dbraw/zinc/91/51/05/492915105.db2.gz IFMAHGZEOWWVHN-BUXKBTBVSA-N 2 2 356.426 0.912 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2C1=O ZINC000652351137 492915111 /nfs/dbraw/zinc/91/51/11/492915111.db2.gz IFMAHGZEOWWVHN-BUXKBTBVSA-N 2 2 356.426 0.912 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658504146 492917598 /nfs/dbraw/zinc/91/75/98/492917598.db2.gz KTTSOGUVUDVKKU-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632145817 492938720 /nfs/dbraw/zinc/93/87/20/492938720.db2.gz PTWNBWZFGOPQDX-OAHLLOKOSA-N 2 2 355.508 0.177 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000652473608 492944283 /nfs/dbraw/zinc/94/42/83/492944283.db2.gz CVZUSURDPWNMHR-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000652473608 492944288 /nfs/dbraw/zinc/94/42/88/492944288.db2.gz CVZUSURDPWNMHR-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000638433849 492946936 /nfs/dbraw/zinc/94/69/36/492946936.db2.gz PJJNMWWNJFSIGN-UHFFFAOYSA-N 2 2 353.467 0.689 20 0 FCADLP O=C1C[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCN1 ZINC000638528556 492958008 /nfs/dbraw/zinc/95/80/08/492958008.db2.gz DZVYXXHHQCUNAP-HOTGVXAUSA-N 2 2 374.489 0.540 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000652516370 492958412 /nfs/dbraw/zinc/95/84/12/492958412.db2.gz ACPXRFBGLLVMJP-RDJZCZTQSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000652516370 492958417 /nfs/dbraw/zinc/95/84/17/492958417.db2.gz ACPXRFBGLLVMJP-RDJZCZTQSA-N 2 2 368.522 0.497 20 0 FCADLP Cn1ncnc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638529613 492958858 /nfs/dbraw/zinc/95/88/58/492958858.db2.gz RKAIVXAESGWAIH-AWEZNQCLSA-N 2 2 358.450 0.200 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652528344 492963305 /nfs/dbraw/zinc/96/33/05/492963305.db2.gz SKYXHFBQIVUHNT-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652528344 492963307 /nfs/dbraw/zinc/96/33/07/492963307.db2.gz SKYXHFBQIVUHNT-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000638596463 492963932 /nfs/dbraw/zinc/96/39/32/492963932.db2.gz KVISRJCJXIAPDH-GOSISDBHSA-N 3 2 354.539 0.218 20 0 FCADLP CC(C)(O)C[NH+]1CCC(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000638596463 492963934 /nfs/dbraw/zinc/96/39/34/492963934.db2.gz KVISRJCJXIAPDH-GOSISDBHSA-N 2 2 354.539 0.218 20 0 FCADLP CC(C)(O)C[NH+]1CCC(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000638596463 492963938 /nfs/dbraw/zinc/96/39/38/492963938.db2.gz KVISRJCJXIAPDH-GOSISDBHSA-N 2 2 354.539 0.218 20 0 FCADLP CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638779244 492978232 /nfs/dbraw/zinc/97/82/32/492978232.db2.gz IYDWGXBMWVPHKO-CYBMUJFWSA-N 2 2 350.419 0.134 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906451 492986914 /nfs/dbraw/zinc/98/69/14/492986914.db2.gz TUFZZWHWRQGZAU-QZTJIDSGSA-N 2 2 370.457 0.411 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906451 492986918 /nfs/dbraw/zinc/98/69/18/492986918.db2.gz TUFZZWHWRQGZAU-QZTJIDSGSA-N 2 2 370.457 0.411 20 0 FCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1COc2ccc(O)cc2O1 ZINC000638984101 492990829 /nfs/dbraw/zinc/99/08/29/492990829.db2.gz RNKWHGJAWIUVEY-INIZCTEOSA-N 2 2 356.382 0.975 20 0 FCADLP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005271 492991850 /nfs/dbraw/zinc/99/18/50/492991850.db2.gz VQGZUWOERQQLCH-CQSZACIVSA-N 2 2 355.446 0.277 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658652843 492992536 /nfs/dbraw/zinc/99/25/36/492992536.db2.gz SIYVLNKUKCWJBY-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658652843 492992539 /nfs/dbraw/zinc/99/25/39/492992539.db2.gz SIYVLNKUKCWJBY-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981745 492995928 /nfs/dbraw/zinc/99/59/28/492995928.db2.gz XDNCKPVJJROVEM-ARFHVFGLSA-N 2 2 374.489 0.396 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981745 492995933 /nfs/dbraw/zinc/99/59/33/492995933.db2.gz XDNCKPVJJROVEM-ARFHVFGLSA-N 2 2 374.489 0.396 20 0 FCADLP [NH3+][C@@H](CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646020855 493001942 /nfs/dbraw/zinc/00/19/42/493001942.db2.gz CUYAHIFQLOHKAZ-ROUUACIJSA-N 2 2 374.485 0.516 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000639293080 493005212 /nfs/dbraw/zinc/00/52/12/493005212.db2.gz DDENAYILZSIRIG-DLBZAZTESA-N 2 2 354.458 0.777 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000639293080 493005214 /nfs/dbraw/zinc/00/52/14/493005214.db2.gz DDENAYILZSIRIG-DLBZAZTESA-N 2 2 354.458 0.777 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000639293082 493005626 /nfs/dbraw/zinc/00/56/26/493005626.db2.gz DDENAYILZSIRIG-IRXDYDNUSA-N 2 2 354.458 0.777 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000639293082 493005632 /nfs/dbraw/zinc/00/56/32/493005632.db2.gz DDENAYILZSIRIG-IRXDYDNUSA-N 2 2 354.458 0.777 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)N1CCCCC1 ZINC000646103302 493012609 /nfs/dbraw/zinc/01/26/09/493012609.db2.gz AYJMEONKQGRQQL-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)N1CCCCC1 ZINC000646103302 493012611 /nfs/dbraw/zinc/01/26/11/493012611.db2.gz AYJMEONKQGRQQL-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558893 493020386 /nfs/dbraw/zinc/02/03/86/493020386.db2.gz JMMHRPWRGNRZRL-IRXDYDNUSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558893 493020388 /nfs/dbraw/zinc/02/03/88/493020388.db2.gz JMMHRPWRGNRZRL-IRXDYDNUSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639558893 493020390 /nfs/dbraw/zinc/02/03/90/493020390.db2.gz JMMHRPWRGNRZRL-IRXDYDNUSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639558893 493020393 /nfs/dbraw/zinc/02/03/93/493020393.db2.gz JMMHRPWRGNRZRL-IRXDYDNUSA-N 2 2 353.488 0.376 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1CCO ZINC000658738329 493038532 /nfs/dbraw/zinc/03/85/32/493038532.db2.gz RGNKHYWULMABTA-AWEZNQCLSA-N 2 2 363.462 0.031 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1CCO ZINC000658738329 493038536 /nfs/dbraw/zinc/03/85/36/493038536.db2.gz RGNKHYWULMABTA-AWEZNQCLSA-N 2 2 363.462 0.031 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(c4nc[nH]n4)CC3)c2cc1C ZINC000639729914 493039829 /nfs/dbraw/zinc/03/98/29/493039829.db2.gz BEDKAZRIFNHUFQ-HNNXBMFYSA-N 2 2 355.446 0.954 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCOC ZINC000632604914 493044623 /nfs/dbraw/zinc/04/46/23/493044623.db2.gz AWTMQEXMPVVMQL-CQSZACIVSA-N 2 2 351.451 0.327 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC[N@H+]1CCOC ZINC000632604914 493044627 /nfs/dbraw/zinc/04/46/27/493044627.db2.gz AWTMQEXMPVVMQL-CQSZACIVSA-N 2 2 351.451 0.327 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646460915 493051171 /nfs/dbraw/zinc/05/11/71/493051171.db2.gz KTBKIZVRNUVVMQ-SFHVURJKSA-N 2 2 350.507 0.336 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646460915 493051176 /nfs/dbraw/zinc/05/11/76/493051176.db2.gz KTBKIZVRNUVVMQ-SFHVURJKSA-N 2 2 350.507 0.336 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646460915 493051184 /nfs/dbraw/zinc/05/11/84/493051184.db2.gz KTBKIZVRNUVVMQ-SFHVURJKSA-N 2 2 350.507 0.336 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646460915 493051189 /nfs/dbraw/zinc/05/11/89/493051189.db2.gz KTBKIZVRNUVVMQ-SFHVURJKSA-N 2 2 350.507 0.336 20 0 FCADLP C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H](CO)C1 ZINC000639870280 493061054 /nfs/dbraw/zinc/06/10/54/493061054.db2.gz FEFPVOKKMCATLX-MRXNPFEDSA-N 2 2 352.504 0.001 20 0 FCADLP C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H](CO)C1 ZINC000639870280 493061057 /nfs/dbraw/zinc/06/10/57/493061057.db2.gz FEFPVOKKMCATLX-MRXNPFEDSA-N 2 2 352.504 0.001 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000653056398 493064595 /nfs/dbraw/zinc/06/45/95/493064595.db2.gz DOZUQQCLQBTQGU-HNNXBMFYSA-N 2 2 354.476 0.689 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653061505 493065310 /nfs/dbraw/zinc/06/53/10/493065310.db2.gz SDDOUMDNKZSRJX-MRXNPFEDSA-N 2 2 370.519 0.612 20 0 FCADLP CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653067725 493066112 /nfs/dbraw/zinc/06/61/12/493066112.db2.gz JOJFVDJGLLUYKC-MRXNPFEDSA-N 2 2 362.474 0.649 20 0 FCADLP CN(Cc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653073481 493066794 /nfs/dbraw/zinc/06/67/94/493066794.db2.gz BOMDCGWJLMMBAX-KRWDZBQOSA-N 2 2 361.490 0.662 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000653073456 493066875 /nfs/dbraw/zinc/06/68/75/493066875.db2.gz AFWACROCQSIBIF-INIZCTEOSA-N 2 2 368.503 0.366 20 0 FCADLP CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653075550 493066933 /nfs/dbraw/zinc/06/69/33/493066933.db2.gz QQOBPNNMDAVWAV-LBPRGKRZSA-N 2 2 358.464 0.674 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000626933914 493066943 /nfs/dbraw/zinc/06/69/43/493066943.db2.gz PRZXWNAMARTRDJ-QZTJIDSGSA-N 2 2 362.474 0.656 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000653078628 493067003 /nfs/dbraw/zinc/06/70/03/493067003.db2.gz GDQXDQFLMSPAOD-OCCSQVGLSA-N 2 2 363.380 0.840 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)cn2c1 ZINC000626945724 493069224 /nfs/dbraw/zinc/06/92/24/493069224.db2.gz XOODRRYPTOEPMX-HNNXBMFYSA-N 2 2 354.418 0.768 20 0 FCADLP O=C(N1CCN(Cc2cn3ccccc3[nH+]2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653107072 493070469 /nfs/dbraw/zinc/07/04/69/493070469.db2.gz WUEZWKGBYGIKEI-KXBFYZLASA-N 2 2 355.442 0.215 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653109513 493071469 /nfs/dbraw/zinc/07/14/69/493071469.db2.gz DHOXNPNVJYJKFH-DLBZAZTESA-N 2 2 350.507 0.921 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000653114816 493072960 /nfs/dbraw/zinc/07/29/60/493072960.db2.gz XTLYKLPJJBGZKM-KRWDZBQOSA-N 2 2 361.490 0.121 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)C1 ZINC000653116754 493073045 /nfs/dbraw/zinc/07/30/45/493073045.db2.gz QZTOIGQGUKTYTF-IKGGRYGDSA-N 2 2 367.538 0.105 20 0 FCADLP Cc1cccn2cc(CCNC(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)[nH+]c12 ZINC000626991774 493077084 /nfs/dbraw/zinc/07/70/84/493077084.db2.gz KEVKHTCNNKTNPB-MRXNPFEDSA-N 2 2 368.445 0.811 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H](N)CC[NH+](C)C)c2)CC1 ZINC000653155071 493079037 /nfs/dbraw/zinc/07/90/37/493079037.db2.gz ITKNUEMKAODRCK-GOSISDBHSA-N 2 2 361.490 0.568 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000653155327 493079068 /nfs/dbraw/zinc/07/90/68/493079068.db2.gz PLJGAHGTWAFGBJ-UONOGXRCSA-N 2 2 356.829 0.980 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000653156033 493079187 /nfs/dbraw/zinc/07/91/87/493079187.db2.gz PEFYSIFUICDLGF-CABCVRRESA-N 2 2 360.524 0.118 20 0 FCADLP C[N@H+](CCC(=O)N1CCc2ccccc2C1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051035 493079718 /nfs/dbraw/zinc/07/97/18/493079718.db2.gz DMNIHQGKMHWELU-UHFFFAOYSA-N 2 2 358.486 0.667 20 0 FCADLP C[N@@H+](CCC(=O)N1CCc2ccccc2C1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051035 493079720 /nfs/dbraw/zinc/07/97/20/493079720.db2.gz DMNIHQGKMHWELU-UHFFFAOYSA-N 2 2 358.486 0.667 20 0 FCADLP C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653161113 493080072 /nfs/dbraw/zinc/08/00/72/493080072.db2.gz DITQLMMJHPWHSX-DZGCQCFKSA-N 2 2 356.492 0.139 20 0 FCADLP COc1ccccc1COC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640048948 493080469 /nfs/dbraw/zinc/08/04/69/493080469.db2.gz GMWAAEGFPUXHLR-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP COc1ccccc1COC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640048948 493080474 /nfs/dbraw/zinc/08/04/74/493080474.db2.gz GMWAAEGFPUXHLR-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000632754360 493085017 /nfs/dbraw/zinc/08/50/17/493085017.db2.gz REDHBWJTJQUMNJ-INIZCTEOSA-N 2 2 355.442 0.753 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000632754360 493085020 /nfs/dbraw/zinc/08/50/20/493085020.db2.gz REDHBWJTJQUMNJ-INIZCTEOSA-N 2 2 355.442 0.753 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000653275910 493088013 /nfs/dbraw/zinc/08/80/13/493088013.db2.gz QPZFFFBTAUHBPN-UHFFFAOYSA-N 2 2 364.490 0.833 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC(=O)N1C ZINC000627118429 493090608 /nfs/dbraw/zinc/09/06/08/493090608.db2.gz AQJFLPFMOCUEPK-GUTXKFCHSA-N 2 2 360.462 0.666 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000653354205 493098593 /nfs/dbraw/zinc/09/85/93/493098593.db2.gz QUCLPPVDFLNFQY-GOSISDBHSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000653354205 493098596 /nfs/dbraw/zinc/09/85/96/493098596.db2.gz QUCLPPVDFLNFQY-GOSISDBHSA-N 2 2 358.486 0.582 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000627190804 493105372 /nfs/dbraw/zinc/10/53/72/493105372.db2.gz VZQLZIOGVSTZEH-HNNXBMFYSA-N 2 2 352.435 0.112 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000646835304 493109322 /nfs/dbraw/zinc/10/93/22/493109322.db2.gz ADDWSXAMAHMKIT-SWLSCSKDSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000646835304 493109326 /nfs/dbraw/zinc/10/93/26/493109326.db2.gz ADDWSXAMAHMKIT-SWLSCSKDSA-N 2 2 354.401 0.633 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000627227903 493110778 /nfs/dbraw/zinc/11/07/78/493110778.db2.gz QWDXOASNWFOKAD-QGZVFWFLSA-N 2 2 370.461 0.235 20 0 FCADLP C[C@@H]1CCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H]1n1cc[nH+]c1 ZINC000627230161 493111759 /nfs/dbraw/zinc/11/17/59/493111759.db2.gz GBEOZXOUBVZBHX-FVQBIDKESA-N 2 2 358.450 0.802 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000633115698 493132579 /nfs/dbraw/zinc/13/25/79/493132579.db2.gz MCTDPLXFZVMMPS-DOTOQJQBSA-N 2 2 374.485 0.678 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000627293261 493137434 /nfs/dbraw/zinc/13/74/34/493137434.db2.gz OWGKXYSANNIZPM-DOMZBBRYSA-N 2 2 368.865 0.164 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000627293263 493137770 /nfs/dbraw/zinc/13/77/70/493137770.db2.gz OWGKXYSANNIZPM-SWLSCSKDSA-N 2 2 368.865 0.164 20 0 FCADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633197206 493140480 /nfs/dbraw/zinc/14/04/80/493140480.db2.gz WAEDEGKVJBHCDU-MRXNPFEDSA-N 2 2 369.473 0.805 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000646987832 493141877 /nfs/dbraw/zinc/14/18/77/493141877.db2.gz QWHGYCUASPNCFW-INIZCTEOSA-N 2 2 359.474 0.769 20 0 FCADLP C[NH2+]Cc1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000640879048 493145815 /nfs/dbraw/zinc/14/58/15/493145815.db2.gz RIEXIVDWUACXOV-UHFFFAOYSA-N 2 2 358.446 0.146 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000627317693 493149161 /nfs/dbraw/zinc/14/91/61/493149161.db2.gz VMYJOLJSMJQRAO-HNNXBMFYSA-N 2 2 359.430 0.059 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319459 493149796 /nfs/dbraw/zinc/14/97/96/493149796.db2.gz UIJIFOMFHHKFLC-OWCLPIDISA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319459 493149799 /nfs/dbraw/zinc/14/97/99/493149799.db2.gz UIJIFOMFHHKFLC-OWCLPIDISA-N 2 2 368.522 0.447 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659098493 493150808 /nfs/dbraw/zinc/15/08/08/493150808.db2.gz ACMGVKXLLUJSBY-KRWDZBQOSA-N 2 2 358.442 0.204 20 0 FCADLP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000647082125 493159136 /nfs/dbraw/zinc/15/91/36/493159136.db2.gz KLSIGZLAKDOPTA-MAUKXSAKSA-N 2 2 364.465 0.831 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000627338487 493160867 /nfs/dbraw/zinc/16/08/67/493160867.db2.gz IAPYHTXYBIBGAV-INIZCTEOSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641026150 493162648 /nfs/dbraw/zinc/16/26/48/493162648.db2.gz LQRQCQDABFFVIA-HOTGVXAUSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(CC[NH+](C)C)nn1 ZINC000641171111 493174564 /nfs/dbraw/zinc/17/45/64/493174564.db2.gz MQCODJVKXUHFKZ-HNNXBMFYSA-N 2 2 357.462 0.687 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000647173174 493174511 /nfs/dbraw/zinc/17/45/11/493174511.db2.gz XGNLPLGKERXIIY-LSDHHAIUSA-N 2 2 354.476 0.300 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c[nH+]1 ZINC000659432755 493175561 /nfs/dbraw/zinc/17/55/61/493175561.db2.gz MLZIPJLAFTWQES-UHFFFAOYSA-N 2 2 359.434 0.882 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cn(CC[NH3+])nn3)c2)CC1 ZINC000659317350 493188214 /nfs/dbraw/zinc/18/82/14/493188214.db2.gz XUZHLMCPCMENHL-UHFFFAOYSA-N 2 2 371.445 0.153 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681571288 493188616 /nfs/dbraw/zinc/18/86/16/493188616.db2.gz OJXBAVVWIBEDQK-FJIDUMEYSA-N 2 2 368.522 0.989 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681571288 493188622 /nfs/dbraw/zinc/18/86/22/493188622.db2.gz OJXBAVVWIBEDQK-FJIDUMEYSA-N 2 2 368.522 0.989 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000681602267 493195238 /nfs/dbraw/zinc/19/52/38/493195238.db2.gz XNXWEJJZIFDWRD-SFHVURJKSA-N 2 2 354.458 0.869 20 0 FCADLP O=C(C[N@H+]1CC[C@H](n2cncn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000681602267 493195243 /nfs/dbraw/zinc/19/52/43/493195243.db2.gz XNXWEJJZIFDWRD-SFHVURJKSA-N 2 2 354.458 0.869 20 0 FCADLP CCc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550418 493203676 /nfs/dbraw/zinc/20/36/76/493203676.db2.gz IKDQAVIGBTUANS-AWEZNQCLSA-N 2 2 363.462 0.138 20 0 FCADLP CCc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550418 493203681 /nfs/dbraw/zinc/20/36/81/493203681.db2.gz IKDQAVIGBTUANS-AWEZNQCLSA-N 2 2 363.462 0.138 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672591940 493210416 /nfs/dbraw/zinc/21/04/16/493210416.db2.gz YJZHLJBAUHRATD-APWZRJJASA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672591940 493210421 /nfs/dbraw/zinc/21/04/21/493210421.db2.gz YJZHLJBAUHRATD-APWZRJJASA-N 2 2 366.506 0.156 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664317 493212458 /nfs/dbraw/zinc/21/24/58/493212458.db2.gz ZPYWFZOMTJKUQR-WMZOPIPTSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664317 493212463 /nfs/dbraw/zinc/21/24/63/493212463.db2.gz ZPYWFZOMTJKUQR-WMZOPIPTSA-N 2 2 368.522 0.728 20 0 FCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)[C@@H]1c1cnn(C)c1 ZINC000659569594 493215215 /nfs/dbraw/zinc/21/52/15/493215215.db2.gz KXHZIOYPLPSJCB-PWFYPYPJSA-N 2 2 362.478 0.233 20 0 FCADLP CC[N@H+]1CCO[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)[C@@H]1c1cnn(C)c1 ZINC000659569594 493215219 /nfs/dbraw/zinc/21/52/19/493215219.db2.gz KXHZIOYPLPSJCB-PWFYPYPJSA-N 2 2 362.478 0.233 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659574038 493215973 /nfs/dbraw/zinc/21/59/73/493215973.db2.gz YOLXRAKMSUXCQQ-KBPBESRZSA-N 2 2 352.458 0.903 20 0 FCADLP C[C@@H]1N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637740 493220804 /nfs/dbraw/zinc/22/08/04/493220804.db2.gz NWOATNVUHNBAOR-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637740 493220808 /nfs/dbraw/zinc/22/08/08/493220808.db2.gz NWOATNVUHNBAOR-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP Cc1ccncc1[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638043 493221087 /nfs/dbraw/zinc/22/10/87/493221087.db2.gz QPEMVBXKDIMMNH-HZPDHXFCSA-N 2 2 373.501 0.852 20 0 FCADLP Cc1ccncc1[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638043 493221090 /nfs/dbraw/zinc/22/10/90/493221090.db2.gz QPEMVBXKDIMMNH-HZPDHXFCSA-N 2 2 373.501 0.852 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638372 493221817 /nfs/dbraw/zinc/22/18/17/493221817.db2.gz RYAFJEZBIIWGGE-HOCLYGCPSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638372 493221819 /nfs/dbraw/zinc/22/18/19/493221819.db2.gz RYAFJEZBIIWGGE-HOCLYGCPSA-N 2 2 354.495 0.058 20 0 FCADLP C[C@@H](CCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638119 493221955 /nfs/dbraw/zinc/22/19/55/493221955.db2.gz LCFHQTTXKBBNDU-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](CCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638119 493221958 /nfs/dbraw/zinc/22/19/58/493221958.db2.gz LCFHQTTXKBBNDU-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639538 493222074 /nfs/dbraw/zinc/22/20/74/493222074.db2.gz LQOKINGYYSFTFK-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639538 493222076 /nfs/dbraw/zinc/22/20/76/493222076.db2.gz LQOKINGYYSFTFK-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CN(Cc1ccc(O)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638932 493222134 /nfs/dbraw/zinc/22/21/34/493222134.db2.gz WDJYTHXLHWHJHH-MRXNPFEDSA-N 2 2 374.485 0.635 20 0 FCADLP CN(Cc1ccc(O)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638932 493222136 /nfs/dbraw/zinc/22/21/36/493222136.db2.gz WDJYTHXLHWHJHH-MRXNPFEDSA-N 2 2 374.485 0.635 20 0 FCADLP CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639225 493222199 /nfs/dbraw/zinc/22/21/99/493222199.db2.gz KILWOARSBHHZBG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639225 493222201 /nfs/dbraw/zinc/22/22/01/493222201.db2.gz KILWOARSBHHZBG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639355 493222352 /nfs/dbraw/zinc/22/23/52/493222352.db2.gz MFFILEORIPRBNQ-BZUAXINKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639355 493222356 /nfs/dbraw/zinc/22/23/56/493222356.db2.gz MFFILEORIPRBNQ-BZUAXINKSA-N 2 2 350.507 0.824 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638357 493222442 /nfs/dbraw/zinc/22/24/42/493222442.db2.gz RYAFJEZBIIWGGE-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638357 493222445 /nfs/dbraw/zinc/22/24/45/493222445.db2.gz RYAFJEZBIIWGGE-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP Cc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672639150 493222581 /nfs/dbraw/zinc/22/25/81/493222581.db2.gz ZYPNDJXVIUBBCC-QGZVFWFLSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672639150 493222584 /nfs/dbraw/zinc/22/25/84/493222584.db2.gz ZYPNDJXVIUBBCC-QGZVFWFLSA-N 2 2 373.501 0.633 20 0 FCADLP CN(Cc1cccnc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638392 493222818 /nfs/dbraw/zinc/22/28/18/493222818.db2.gz GMIKAPADASJROH-MRXNPFEDSA-N 2 2 359.474 0.325 20 0 FCADLP CN(Cc1cccnc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638392 493222822 /nfs/dbraw/zinc/22/28/22/493222822.db2.gz GMIKAPADASJROH-MRXNPFEDSA-N 2 2 359.474 0.325 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000659629841 493223574 /nfs/dbraw/zinc/22/35/74/493223574.db2.gz ACHUPVCXXVSOMN-UHFFFAOYSA-N 2 2 357.418 0.063 20 0 FCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641270 493224460 /nfs/dbraw/zinc/22/44/60/493224460.db2.gz OXKVHXWHVWEZQO-NVXWUHKLSA-N 2 2 373.501 0.414 20 0 FCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641270 493224464 /nfs/dbraw/zinc/22/44/64/493224464.db2.gz OXKVHXWHVWEZQO-NVXWUHKLSA-N 2 2 373.501 0.414 20 0 FCADLP C[C@@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639928 493225163 /nfs/dbraw/zinc/22/51/63/493225163.db2.gz PBBIUNZHSQIZOG-ZIAGYGMSSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639928 493225166 /nfs/dbraw/zinc/22/51/66/493225166.db2.gz PBBIUNZHSQIZOG-ZIAGYGMSSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641609 493225985 /nfs/dbraw/zinc/22/59/85/493225985.db2.gz UNJZVLXOJIGFJR-RDJZCZTQSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641609 493225987 /nfs/dbraw/zinc/22/59/87/493225987.db2.gz UNJZVLXOJIGFJR-RDJZCZTQSA-N 2 2 373.501 0.886 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641963 493226850 /nfs/dbraw/zinc/22/68/50/493226850.db2.gz UUNVEVSZOFYAME-ZIAGYGMSSA-N 2 2 372.460 0.823 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641963 493226852 /nfs/dbraw/zinc/22/68/52/493226852.db2.gz UUNVEVSZOFYAME-ZIAGYGMSSA-N 2 2 372.460 0.823 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000672641771 493226914 /nfs/dbraw/zinc/22/69/14/493226914.db2.gz TVSZEYKVSJLODJ-KGLIPLIRSA-N 2 2 354.520 0.140 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000672641771 493226916 /nfs/dbraw/zinc/22/69/16/493226916.db2.gz TVSZEYKVSJLODJ-KGLIPLIRSA-N 2 2 354.520 0.140 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC3(C)C)C2)CC1 ZINC000672642567 493227142 /nfs/dbraw/zinc/22/71/42/493227142.db2.gz CREVUWUCOOPPIV-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC3(C)C)C2)CC1 ZINC000672642567 493227143 /nfs/dbraw/zinc/22/71/43/493227143.db2.gz CREVUWUCOOPPIV-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCC(=O)N1C ZINC000659641386 493227280 /nfs/dbraw/zinc/22/72/80/493227280.db2.gz NJJZWCFUIYQZGP-RGHULWKBSA-N 2 2 360.462 0.461 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000672695208 493234248 /nfs/dbraw/zinc/23/42/48/493234248.db2.gz ODFXPLXESFXGNE-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000672695208 493234249 /nfs/dbraw/zinc/23/42/49/493234249.db2.gz ODFXPLXESFXGNE-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)[nH+]c12 ZINC000672761690 493245195 /nfs/dbraw/zinc/24/51/95/493245195.db2.gz JHDKXRFLFWZSLO-KRWDZBQOSA-N 2 2 369.469 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)[nH+]c12 ZINC000672761690 493245200 /nfs/dbraw/zinc/24/52/00/493245200.db2.gz JHDKXRFLFWZSLO-KRWDZBQOSA-N 2 2 369.469 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)[nH+]c12 ZINC000672761577 493245863 /nfs/dbraw/zinc/24/58/63/493245863.db2.gz BMAXOJKADWHFBO-KRWDZBQOSA-N 2 2 369.469 0.998 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)[nH+]c12 ZINC000672766352 493247860 /nfs/dbraw/zinc/24/78/60/493247860.db2.gz XADFBMPAGBTUEP-GDBMZVCRSA-N 2 2 373.457 0.137 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)[nH+]c12 ZINC000672766352 493247861 /nfs/dbraw/zinc/24/78/61/493247861.db2.gz XADFBMPAGBTUEP-GDBMZVCRSA-N 2 2 373.457 0.137 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659696810 493258817 /nfs/dbraw/zinc/25/88/17/493258817.db2.gz NPSWFPUBGIJZSF-JKSUJKDBSA-N 2 2 359.474 0.552 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672956251 493270406 /nfs/dbraw/zinc/27/04/06/493270406.db2.gz QAHYBNHWVXCJNR-MRXNPFEDSA-N 2 2 371.441 0.274 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000667328044 493276699 /nfs/dbraw/zinc/27/66/99/493276699.db2.gz CPGQQDRRAZBHOE-KRWDZBQOSA-N 2 2 373.501 0.852 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000667328044 493276701 /nfs/dbraw/zinc/27/67/01/493276701.db2.gz CPGQQDRRAZBHOE-KRWDZBQOSA-N 2 2 373.501 0.852 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000659736380 493279362 /nfs/dbraw/zinc/27/93/62/493279362.db2.gz ZWWOWUMCIJFQTQ-KRWDZBQOSA-N 2 2 358.486 0.759 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000659736380 493279364 /nfs/dbraw/zinc/27/93/64/493279364.db2.gz ZWWOWUMCIJFQTQ-KRWDZBQOSA-N 2 2 358.486 0.759 20 0 FCADLP Cc1noc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682228532 493280720 /nfs/dbraw/zinc/28/07/20/493280720.db2.gz CGYYAFBUMCOTPF-OAHLLOKOSA-N 2 2 363.462 0.857 20 0 FCADLP Cc1noc(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682228532 493280722 /nfs/dbraw/zinc/28/07/22/493280722.db2.gz CGYYAFBUMCOTPF-OAHLLOKOSA-N 2 2 363.462 0.857 20 0 FCADLP Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682229604 493280756 /nfs/dbraw/zinc/28/07/56/493280756.db2.gz KTMIRIYBNPXVDA-HNNXBMFYSA-N 2 2 362.478 0.294 20 0 FCADLP Cc1c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682229604 493280758 /nfs/dbraw/zinc/28/07/58/493280758.db2.gz KTMIRIYBNPXVDA-HNNXBMFYSA-N 2 2 362.478 0.294 20 0 FCADLP CCn1nccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682227702 493280938 /nfs/dbraw/zinc/28/09/38/493280938.db2.gz ZFUGWTMDYOYMMF-OAHLLOKOSA-N 2 2 362.478 0.468 20 0 FCADLP CCn1nccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682227702 493280942 /nfs/dbraw/zinc/28/09/42/493280942.db2.gz ZFUGWTMDYOYMMF-OAHLLOKOSA-N 2 2 362.478 0.468 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682271225 493284829 /nfs/dbraw/zinc/28/48/29/493284829.db2.gz YWHSNXNXUHGMJW-OAHLLOKOSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682271225 493284832 /nfs/dbraw/zinc/28/48/32/493284832.db2.gz YWHSNXNXUHGMJW-OAHLLOKOSA-N 2 2 359.474 0.922 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000659751663 493285992 /nfs/dbraw/zinc/28/59/92/493285992.db2.gz IKNQLUYOCRBZHM-CQSZACIVSA-N 2 2 350.438 0.584 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000659751663 493285995 /nfs/dbraw/zinc/28/59/95/493285995.db2.gz IKNQLUYOCRBZHM-CQSZACIVSA-N 2 2 350.438 0.584 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659757365 493286886 /nfs/dbraw/zinc/28/68/86/493286886.db2.gz XITIMEADGLWZNB-OAHLLOKOSA-N 2 2 361.490 0.871 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673149571 493296188 /nfs/dbraw/zinc/29/61/88/493296188.db2.gz NPKNZTOHYMZKNZ-OAHLLOKOSA-N 2 2 351.451 0.131 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673149571 493296190 /nfs/dbraw/zinc/29/61/90/493296190.db2.gz NPKNZTOHYMZKNZ-OAHLLOKOSA-N 2 2 351.451 0.131 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659878232 493297042 /nfs/dbraw/zinc/29/70/42/493297042.db2.gz JSEGSYUXFSOWDM-KSZLIROESA-N 2 2 370.538 0.254 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659878232 493297043 /nfs/dbraw/zinc/29/70/43/493297043.db2.gz JSEGSYUXFSOWDM-KSZLIROESA-N 2 2 370.538 0.254 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000673275247 493309675 /nfs/dbraw/zinc/30/96/75/493309675.db2.gz QCFSIAMPBVSWHO-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000673275247 493309677 /nfs/dbraw/zinc/30/96/77/493309677.db2.gz QCFSIAMPBVSWHO-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000673283994 493311477 /nfs/dbraw/zinc/31/14/77/493311477.db2.gz VHYDVECRJAFPSW-AEFFLSMTSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000673283994 493311479 /nfs/dbraw/zinc/31/14/79/493311479.db2.gz VHYDVECRJAFPSW-AEFFLSMTSA-N 2 2 356.470 0.986 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000673303946 493315657 /nfs/dbraw/zinc/31/56/57/493315657.db2.gz PVELZXOMPQDNMP-HOTGVXAUSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000673303946 493315658 /nfs/dbraw/zinc/31/56/58/493315658.db2.gz PVELZXOMPQDNMP-HOTGVXAUSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656353 493370663 /nfs/dbraw/zinc/37/06/63/493370663.db2.gz LUPFQJBRQPKBLO-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656353 493370667 /nfs/dbraw/zinc/37/06/67/493370667.db2.gz LUPFQJBRQPKBLO-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656353 493370670 /nfs/dbraw/zinc/37/06/70/493370670.db2.gz LUPFQJBRQPKBLO-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656353 493370673 /nfs/dbraw/zinc/37/06/73/493370673.db2.gz LUPFQJBRQPKBLO-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656555 493370734 /nfs/dbraw/zinc/37/07/34/493370734.db2.gz LUPFQJBRQPKBLO-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656555 493370735 /nfs/dbraw/zinc/37/07/35/493370735.db2.gz LUPFQJBRQPKBLO-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656555 493370738 /nfs/dbraw/zinc/37/07/38/493370738.db2.gz LUPFQJBRQPKBLO-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656555 493370741 /nfs/dbraw/zinc/37/07/41/493370741.db2.gz LUPFQJBRQPKBLO-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000660695308 493373066 /nfs/dbraw/zinc/37/30/66/493373066.db2.gz NTABRWVGOQEMJG-UHFFFAOYSA-N 2 2 366.506 0.924 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660701871 493373985 /nfs/dbraw/zinc/37/39/85/493373985.db2.gz CVFVUXCMFLUWEP-KRWDZBQOSA-N 2 2 366.506 0.748 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000446 493381241 /nfs/dbraw/zinc/38/12/41/493381241.db2.gz LZQCJAPJMDAPHS-UHFFFAOYSA-N 2 2 368.503 0.398 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000660846159 493384869 /nfs/dbraw/zinc/38/48/69/493384869.db2.gz HAVWMSOINIYBSD-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000660846159 493384870 /nfs/dbraw/zinc/38/48/70/493384870.db2.gz HAVWMSOINIYBSD-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000674061597 493385601 /nfs/dbraw/zinc/38/56/01/493385601.db2.gz BEVJFAMRNXPFCF-DLBZAZTESA-N 2 2 361.490 0.986 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660909920 493392550 /nfs/dbraw/zinc/39/25/50/493392550.db2.gz RNKKNTWNLZOLAJ-KURKYZTESA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668668723 493393542 /nfs/dbraw/zinc/39/35/42/493393542.db2.gz BRUZQWSYGHROCD-HNNXBMFYSA-N 2 2 357.458 0.651 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000668668723 493393543 /nfs/dbraw/zinc/39/35/43/493393543.db2.gz BRUZQWSYGHROCD-HNNXBMFYSA-N 2 2 357.458 0.651 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000668688607 493397700 /nfs/dbraw/zinc/39/77/00/493397700.db2.gz CZVANDFHDFTLQZ-HNNXBMFYSA-N 2 2 370.457 0.688 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674396131 493413144 /nfs/dbraw/zinc/41/31/44/493413144.db2.gz LVTAIPKVUKHEBD-GOSISDBHSA-N 2 2 362.474 0.337 20 0 FCADLP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668876678 493427019 /nfs/dbraw/zinc/42/70/19/493427019.db2.gz VWFXTNGEBBCAIW-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000668911653 493435739 /nfs/dbraw/zinc/43/57/39/493435739.db2.gz VLJPZUDWOVAZIZ-HNNXBMFYSA-N 2 2 368.522 0.593 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000668911653 493435742 /nfs/dbraw/zinc/43/57/42/493435742.db2.gz VLJPZUDWOVAZIZ-HNNXBMFYSA-N 2 2 368.522 0.593 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601279 493451447 /nfs/dbraw/zinc/45/14/47/493451447.db2.gz QACJQZGYCQXNAH-SJORKVTESA-N 2 2 371.485 0.721 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601279 493451449 /nfs/dbraw/zinc/45/14/49/493451449.db2.gz QACJQZGYCQXNAH-SJORKVTESA-N 2 2 371.485 0.721 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000669016372 493451618 /nfs/dbraw/zinc/45/16/18/493451618.db2.gz MSMVCEWQMCXMON-UHFFFAOYSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000669016372 493451619 /nfs/dbraw/zinc/45/16/19/493451619.db2.gz MSMVCEWQMCXMON-UHFFFAOYSA-N 2 2 360.462 0.056 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608010 493452561 /nfs/dbraw/zinc/45/25/61/493452561.db2.gz KMZKVIJPNKINKH-RTBURBONSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608010 493452563 /nfs/dbraw/zinc/45/25/63/493452563.db2.gz KMZKVIJPNKINKH-RTBURBONSA-N 2 2 370.497 0.931 20 0 FCADLP CN(C(=O)CNC(=O)c1ccc(O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675606201 493494872 /nfs/dbraw/zinc/49/48/72/493494872.db2.gz YDGZQFJAXUMZRV-QGZVFWFLSA-N 2 2 374.485 0.749 20 0 FCADLP CN(C(=O)CNC(=O)c1ccc(O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675606201 493494873 /nfs/dbraw/zinc/49/48/73/493494873.db2.gz YDGZQFJAXUMZRV-QGZVFWFLSA-N 2 2 374.485 0.749 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264082 493501672 /nfs/dbraw/zinc/50/16/72/493501672.db2.gz PSKJPYQBYFEGRJ-ROUUACIJSA-N 3 2 352.523 0.234 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264082 493501675 /nfs/dbraw/zinc/50/16/75/493501675.db2.gz PSKJPYQBYFEGRJ-ROUUACIJSA-N 3 2 352.523 0.234 20 0 FCADLP O=C(NCC[NH2+]C1CC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000669415705 493502492 /nfs/dbraw/zinc/50/24/92/493502492.db2.gz ZSMZJXNNQQMIFU-UHFFFAOYSA-N 2 2 362.474 0.949 20 0 FCADLP Cc1ccc(-c2noc(CCC[N@H+](CC[NH3+])C[C@H](O)CO)n2)cc1F ZINC000662287871 493503392 /nfs/dbraw/zinc/50/33/92/493503392.db2.gz BMYPWBBZOYTESU-AWEZNQCLSA-N 2 2 352.410 0.731 20 0 FCADLP Cc1ccc(-c2noc(CCC[N@@H+](CC[NH3+])C[C@H](O)CO)n2)cc1F ZINC000662287871 493503395 /nfs/dbraw/zinc/50/33/95/493503395.db2.gz BMYPWBBZOYTESU-AWEZNQCLSA-N 2 2 352.410 0.731 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292608 493503708 /nfs/dbraw/zinc/50/37/08/493503708.db2.gz OSQGCSLVHGWION-KBMXLJTQSA-N 2 2 357.520 0.390 20 0 FCADLP C[NH+](C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568541 493504162 /nfs/dbraw/zinc/50/41/62/493504162.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568541 493504164 /nfs/dbraw/zinc/50/41/64/493504164.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)C[N@H+]1CCN(C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568541 493504168 /nfs/dbraw/zinc/50/41/68/493504168.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568541 493504171 /nfs/dbraw/zinc/50/41/71/493504171.db2.gz HPJOCEIUWDFVSN-RBUKOAKNSA-N 3 2 368.566 0.293 20 0 FCADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000675885863 493510148 /nfs/dbraw/zinc/51/01/48/493510148.db2.gz JBYFTQQZHPQMNK-WMZOPIPTSA-N 2 2 371.489 0.719 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669542752 493510355 /nfs/dbraw/zinc/51/03/55/493510355.db2.gz CJMBIFKWCYQXKT-LSDHHAIUSA-N 2 2 360.462 0.157 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662375992 493510320 /nfs/dbraw/zinc/51/03/20/493510320.db2.gz HCACEJILVGSWRK-ZDUSSCGKSA-N 2 2 356.430 0.648 20 0 FCADLP Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662368297 493510436 /nfs/dbraw/zinc/51/04/36/493510436.db2.gz NWMIRXRRKOVOAY-CABCVRRESA-N 2 2 350.467 0.208 20 0 FCADLP Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662368298 493510564 /nfs/dbraw/zinc/51/05/64/493510564.db2.gz NWMIRXRRKOVOAY-GJZGRUSLSA-N 2 2 350.467 0.208 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000669594269 493513242 /nfs/dbraw/zinc/51/32/42/493513242.db2.gz RYTNIMWEMISAIN-UHFFFAOYSA-N 2 2 368.570 0.338 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000669594269 493513244 /nfs/dbraw/zinc/51/32/44/493513244.db2.gz RYTNIMWEMISAIN-UHFFFAOYSA-N 2 2 368.570 0.338 20 0 FCADLP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662464058 493518081 /nfs/dbraw/zinc/51/80/81/493518081.db2.gz CQMPSNHEGCDVKP-JKSUJKDBSA-N 2 2 354.495 0.047 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC4(CCOCC4)C3)C2)CC1 ZINC000676047085 493520704 /nfs/dbraw/zinc/52/07/04/493520704.db2.gz IERHSANMPJKGMF-INIZCTEOSA-N 2 2 366.506 0.746 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC4(CCOCC4)C3)C2)CC1 ZINC000676047085 493520707 /nfs/dbraw/zinc/52/07/07/493520707.db2.gz IERHSANMPJKGMF-INIZCTEOSA-N 2 2 366.506 0.746 20 0 FCADLP Cc1c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)nnn1[C@H]1CC[NH2+]C1 ZINC000662504626 493521614 /nfs/dbraw/zinc/52/16/14/493521614.db2.gz KJSHSJJOESQQCO-AWEZNQCLSA-N 2 2 371.445 0.913 20 0 FCADLP Cc1c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662584397 493527023 /nfs/dbraw/zinc/52/70/23/493527023.db2.gz OQULHFMONANTSE-RMRHIDDWSA-N 2 2 350.467 0.348 20 0 FCADLP Cc1c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662584397 493527026 /nfs/dbraw/zinc/52/70/26/493527026.db2.gz OQULHFMONANTSE-RMRHIDDWSA-N 2 2 350.467 0.348 20 0 FCADLP CN(C[C@@H]1COCCO1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000662657105 493530280 /nfs/dbraw/zinc/53/02/80/493530280.db2.gz JJPDBKSONZHCDZ-MSOLQXFVSA-N 2 2 358.442 0.675 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665226 493530733 /nfs/dbraw/zinc/53/07/33/493530733.db2.gz JIWBGXMEJKRQBW-HOTGVXAUSA-N 2 2 362.478 0.530 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000662672390 493531229 /nfs/dbraw/zinc/53/12/29/493531229.db2.gz YETKUDVMHPFQKW-SJORKVTESA-N 2 2 360.458 0.570 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676241319 493533723 /nfs/dbraw/zinc/53/37/23/493533723.db2.gz ABTQBVCPKZRHRK-GDBMZVCRSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241319 493533725 /nfs/dbraw/zinc/53/37/25/493533725.db2.gz ABTQBVCPKZRHRK-GDBMZVCRSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676241102 493533888 /nfs/dbraw/zinc/53/38/88/493533888.db2.gz JJSMZKLJUQANBZ-GDBMZVCRSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241102 493533890 /nfs/dbraw/zinc/53/38/90/493533890.db2.gz JJSMZKLJUQANBZ-GDBMZVCRSA-N 2 2 363.462 0.437 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662715255 493534219 /nfs/dbraw/zinc/53/42/19/493534219.db2.gz RHTXACDSEMBHBZ-AWEZNQCLSA-N 2 2 350.467 0.433 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662715255 493534220 /nfs/dbraw/zinc/53/42/20/493534220.db2.gz RHTXACDSEMBHBZ-AWEZNQCLSA-N 2 2 350.467 0.433 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733539 493536255 /nfs/dbraw/zinc/53/62/55/493536255.db2.gz LKYDCSTYOYQWPN-YOEHRIQHSA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733539 493536257 /nfs/dbraw/zinc/53/62/57/493536257.db2.gz LKYDCSTYOYQWPN-YOEHRIQHSA-N 2 2 368.428 0.487 20 0 FCADLP C[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000662751722 493537706 /nfs/dbraw/zinc/53/77/06/493537706.db2.gz DAYHBBCUOAGMNP-BFYDXBDKSA-N 2 2 362.478 0.385 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000662791838 493542393 /nfs/dbraw/zinc/54/23/93/493542393.db2.gz MRWDXKVJWBIWTI-OWCLPIDISA-N 2 2 364.494 0.774 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000662791838 493542394 /nfs/dbraw/zinc/54/23/94/493542394.db2.gz MRWDXKVJWBIWTI-OWCLPIDISA-N 2 2 364.494 0.774 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676304236 493544091 /nfs/dbraw/zinc/54/40/91/493544091.db2.gz CPAJUPYACPPXQD-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676304236 493544092 /nfs/dbraw/zinc/54/40/92/493544092.db2.gz CPAJUPYACPPXQD-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)cc2)CC1 ZINC000662945606 493558575 /nfs/dbraw/zinc/55/85/75/493558575.db2.gz FYTZZOLBWRMVNL-UHFFFAOYSA-N 2 2 370.457 0.318 20 0 FCADLP COC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000676568860 493559930 /nfs/dbraw/zinc/55/99/30/493559930.db2.gz PRUDKICJACOGFZ-HNNXBMFYSA-N 2 2 354.495 0.650 20 0 FCADLP COC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000676568860 493559932 /nfs/dbraw/zinc/55/99/32/493559932.db2.gz PRUDKICJACOGFZ-HNNXBMFYSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)N1CC[NH+](C)CC1 ZINC000670399268 493561074 /nfs/dbraw/zinc/56/10/74/493561074.db2.gz KCTCTCOVZSHZKB-CQSZACIVSA-N 2 2 350.467 0.308 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422964 493564804 /nfs/dbraw/zinc/56/48/04/493564804.db2.gz COKZYOIYVHJULB-MAUKXSAKSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422964 493564807 /nfs/dbraw/zinc/56/48/07/493564807.db2.gz COKZYOIYVHJULB-MAUKXSAKSA-N 2 2 373.501 0.886 20 0 FCADLP NC(=O)C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000676887764 493576961 /nfs/dbraw/zinc/57/69/61/493576961.db2.gz LAZKERAPLJEUIS-CQSZACIVSA-N 2 2 350.488 0.590 20 0 FCADLP NC(=O)C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000676887764 493576963 /nfs/dbraw/zinc/57/69/63/493576963.db2.gz LAZKERAPLJEUIS-CQSZACIVSA-N 2 2 350.488 0.590 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000670536877 493577964 /nfs/dbraw/zinc/57/79/64/493577964.db2.gz DYMFRCLEHXYIKG-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CN(CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)S(C)(=O)=O ZINC000677002938 493581469 /nfs/dbraw/zinc/58/14/69/493581469.db2.gz RFSUUAWHOCNAIW-UHFFFAOYSA-N 2 2 361.431 0.904 20 0 FCADLP Cc1nnccc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000677053578 493583498 /nfs/dbraw/zinc/58/34/98/493583498.db2.gz ZPHVDKBBFDHQEN-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP CC(C)(CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663439999 493589744 /nfs/dbraw/zinc/58/97/44/493589744.db2.gz CSEJENRTAQUMBM-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)(CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663439999 493589746 /nfs/dbraw/zinc/58/97/46/493589746.db2.gz CSEJENRTAQUMBM-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000670748759 493593418 /nfs/dbraw/zinc/59/34/18/493593418.db2.gz ATCJOZLFOHNANQ-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000670748759 493593420 /nfs/dbraw/zinc/59/34/20/493593420.db2.gz ATCJOZLFOHNANQ-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000670813592 493599465 /nfs/dbraw/zinc/59/94/65/493599465.db2.gz NSHQTFRCRDOKOM-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000670813592 493599467 /nfs/dbraw/zinc/59/94/67/493599467.db2.gz NSHQTFRCRDOKOM-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000670813591 493599757 /nfs/dbraw/zinc/59/97/57/493599757.db2.gz NSHQTFRCRDOKOM-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000670813591 493599759 /nfs/dbraw/zinc/59/97/59/493599759.db2.gz NSHQTFRCRDOKOM-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(F)c3)C2)CC1 ZINC000670840548 493604966 /nfs/dbraw/zinc/60/49/66/493604966.db2.gz SRYMTPOSLRAGLE-INIZCTEOSA-N 2 2 362.449 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(F)c3)C2)CC1 ZINC000670840548 493604967 /nfs/dbraw/zinc/60/49/67/493604967.db2.gz SRYMTPOSLRAGLE-INIZCTEOSA-N 2 2 362.449 0.727 20 0 FCADLP Cc1ccsc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670850390 493605829 /nfs/dbraw/zinc/60/58/29/493605829.db2.gz VFBAQTJSGKKZLA-CQSZACIVSA-N 2 2 364.515 0.957 20 0 FCADLP Cc1ccsc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670850390 493605831 /nfs/dbraw/zinc/60/58/31/493605831.db2.gz VFBAQTJSGKKZLA-CQSZACIVSA-N 2 2 364.515 0.957 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663637717 493608756 /nfs/dbraw/zinc/60/87/56/493608756.db2.gz CSECIOMAKULLND-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663637712 493608809 /nfs/dbraw/zinc/60/88/09/493608809.db2.gz CSECIOMAKULLND-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[C@H](C[NH+]4CCOCC4)C3)nc[nH+]2)CC1 ZINC000663666115 493610787 /nfs/dbraw/zinc/61/07/87/493610787.db2.gz QBUAPJQGMUCVIO-MRXNPFEDSA-N 2 2 361.490 0.986 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000663730422 493615568 /nfs/dbraw/zinc/61/55/68/493615568.db2.gz PXVKKGHAGFAKND-GEEKYZPCSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000663730422 493615571 /nfs/dbraw/zinc/61/55/71/493615571.db2.gz PXVKKGHAGFAKND-GEEKYZPCSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cn1)[C@H]1C[NH+](C)CCO1 ZINC000663730422 493615574 /nfs/dbraw/zinc/61/55/74/493615574.db2.gz PXVKKGHAGFAKND-GEEKYZPCSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cn1)[C@H]1C[NH+](C)CCO1 ZINC000663730422 493615577 /nfs/dbraw/zinc/61/55/77/493615577.db2.gz PXVKKGHAGFAKND-GEEKYZPCSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000670982224 493618443 /nfs/dbraw/zinc/61/84/43/493618443.db2.gz CXLFYIKRCCELSB-AEGPPILISA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000670982224 493618445 /nfs/dbraw/zinc/61/84/45/493618445.db2.gz CXLFYIKRCCELSB-AEGPPILISA-N 2 2 368.503 0.302 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000670983079 493619109 /nfs/dbraw/zinc/61/91/09/493619109.db2.gz CPIFZQHATCEEFO-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664027305 493631277 /nfs/dbraw/zinc/63/12/77/493631277.db2.gz ZPQVSXADHZLVJD-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107294 493635805 /nfs/dbraw/zinc/63/58/05/493635805.db2.gz CCFCHGYFFXFHRZ-ZMSDIMECSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107294 493635806 /nfs/dbraw/zinc/63/58/06/493635806.db2.gz CCFCHGYFFXFHRZ-ZMSDIMECSA-N 2 2 358.442 0.804 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000671134694 493641716 /nfs/dbraw/zinc/64/17/16/493641716.db2.gz OFBYXKCSIIZLCN-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000671134694 493641718 /nfs/dbraw/zinc/64/17/18/493641718.db2.gz OFBYXKCSIIZLCN-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000671134694 493641721 /nfs/dbraw/zinc/64/17/21/493641721.db2.gz OFBYXKCSIIZLCN-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000671134694 493641724 /nfs/dbraw/zinc/64/17/24/493641724.db2.gz OFBYXKCSIIZLCN-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000678446380 493644920 /nfs/dbraw/zinc/64/49/20/493644920.db2.gz HYDBWVQJYYVPDL-YJBOKZPZSA-N 2 2 354.495 0.650 20 0 FCADLP CC(C)Nc1nc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)nc(NCCO)[nH+]1 ZINC000664241516 493646843 /nfs/dbraw/zinc/64/68/43/493646843.db2.gz FYKZNEAQCXFEPU-STQMWFEESA-N 2 2 353.471 0.617 20 0 FCADLP CC(C)Nc1nc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)nc(NCCO)[nH+]1 ZINC000664241516 493646845 /nfs/dbraw/zinc/64/68/45/493646845.db2.gz FYKZNEAQCXFEPU-STQMWFEESA-N 2 2 353.471 0.617 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671180824 493647230 /nfs/dbraw/zinc/64/72/30/493647230.db2.gz ZLCBCMNNACBCGA-BBWFWOEESA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671180824 493647232 /nfs/dbraw/zinc/64/72/32/493647232.db2.gz ZLCBCMNNACBCGA-BBWFWOEESA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000671181251 493647865 /nfs/dbraw/zinc/64/78/65/493647865.db2.gz BVOSBLLLGGVABX-ZWKOTPCHSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671181251 493647868 /nfs/dbraw/zinc/64/78/68/493647868.db2.gz BVOSBLLLGGVABX-ZWKOTPCHSA-N 2 2 356.470 0.861 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000671324505 493654934 /nfs/dbraw/zinc/65/49/34/493654934.db2.gz OUIUSADENBAMMT-IAGOWNOFSA-N 2 2 370.497 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000671324505 493654936 /nfs/dbraw/zinc/65/49/36/493654936.db2.gz OUIUSADENBAMMT-IAGOWNOFSA-N 2 2 370.497 0.727 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671347322 493658265 /nfs/dbraw/zinc/65/82/65/493658265.db2.gz OKFHTVTXYIDBSB-MRXNPFEDSA-N 2 2 363.462 0.103 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)[nH+]c2c1 ZINC000671357962 493659200 /nfs/dbraw/zinc/65/92/00/493659200.db2.gz HJVNPKWAAGVHLQ-HNNXBMFYSA-N 2 2 355.442 0.859 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)[nH+]c2c1 ZINC000671357962 493659203 /nfs/dbraw/zinc/65/92/03/493659203.db2.gz HJVNPKWAAGVHLQ-HNNXBMFYSA-N 2 2 355.442 0.859 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000678792783 493661108 /nfs/dbraw/zinc/66/11/08/493661108.db2.gz SWHSTVNULZOQEZ-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000671376484 493662317 /nfs/dbraw/zinc/66/23/17/493662317.db2.gz MXMKZIPCZPRNEA-QGZVFWFLSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000671390475 493663054 /nfs/dbraw/zinc/66/30/54/493663054.db2.gz RJPJJHRYCQEJIC-WBVHZDCISA-N 2 2 362.474 0.070 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000671390475 493663057 /nfs/dbraw/zinc/66/30/57/493663057.db2.gz RJPJJHRYCQEJIC-WBVHZDCISA-N 2 2 362.474 0.070 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671390475 493663059 /nfs/dbraw/zinc/66/30/59/493663059.db2.gz RJPJJHRYCQEJIC-WBVHZDCISA-N 2 2 362.474 0.070 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671396038 493664408 /nfs/dbraw/zinc/66/44/08/493664408.db2.gz ADXBLXRHGOKKRR-UHFFFAOYSA-N 2 2 374.485 0.034 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395832 493664552 /nfs/dbraw/zinc/66/45/52/493664552.db2.gz DINQUOCZNIAMHG-MRXNPFEDSA-N 2 2 358.486 0.919 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395832 493664556 /nfs/dbraw/zinc/66/45/56/493664556.db2.gz DINQUOCZNIAMHG-MRXNPFEDSA-N 2 2 358.486 0.919 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000671397055 493665302 /nfs/dbraw/zinc/66/53/02/493665302.db2.gz PZYNWBKPQHNSNX-YOEHRIQHSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000671397055 493665305 /nfs/dbraw/zinc/66/53/05/493665305.db2.gz PZYNWBKPQHNSNX-YOEHRIQHSA-N 2 2 356.470 0.860 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671399378 493665617 /nfs/dbraw/zinc/66/56/17/493665617.db2.gz ZCYAAHDQNWCPML-UHFFFAOYSA-N 2 2 358.486 0.919 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664538337 493666360 /nfs/dbraw/zinc/66/63/60/493666360.db2.gz CWENZLLJQYUIIZ-GOSISDBHSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664538337 493666362 /nfs/dbraw/zinc/66/63/62/493666362.db2.gz CWENZLLJQYUIIZ-GOSISDBHSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000664538476 493666522 /nfs/dbraw/zinc/66/65/22/493666522.db2.gz FABIECRUCFOXPQ-OAHLLOKOSA-N 2 2 367.538 0.959 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCO1 ZINC000664758267 493681753 /nfs/dbraw/zinc/68/17/53/493681753.db2.gz NTPNZPPSBJLQPA-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP Cn1ncc2c1CCC[NH+](CC(O)C[N@H+]1CCCc3c(cnn3C)C1)C2 ZINC000664779083 493683245 /nfs/dbraw/zinc/68/32/45/493683245.db2.gz BICAXWORXBWKRI-UHFFFAOYSA-N 2 2 358.490 0.711 20 0 FCADLP Cn1ncc2c1CCC[NH+](CC(O)C[N@@H+]1CCCc3c(cnn3C)C1)C2 ZINC000664779083 493683248 /nfs/dbraw/zinc/68/32/48/493683248.db2.gz BICAXWORXBWKRI-UHFFFAOYSA-N 2 2 358.490 0.711 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000679510242 493684882 /nfs/dbraw/zinc/68/48/82/493684882.db2.gz OPHSVRWENUJONX-ZDUSSCGKSA-N 2 2 365.397 0.955 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CO)C3CCOCC3)C2)CC1 ZINC000679869875 493698245 /nfs/dbraw/zinc/69/82/45/493698245.db2.gz JWZHOUZXNVCQMN-NVXWUHKLSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CO)C3CCOCC3)C2)CC1 ZINC000679869875 493698247 /nfs/dbraw/zinc/69/82/47/493698247.db2.gz JWZHOUZXNVCQMN-NVXWUHKLSA-N 2 2 354.495 0.242 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)c1cc(C(=O)NCCCn2cc[nH+]c2)[nH]n1 ZINC000665106117 493699971 /nfs/dbraw/zinc/69/99/71/493699971.db2.gz ISYMCBSKUMXJNV-UHFFFAOYSA-N 2 2 370.417 0.443 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672010063 493724168 /nfs/dbraw/zinc/72/41/68/493724168.db2.gz TYAQQFNKXOMOQH-HOCLYGCPSA-N 2 2 359.474 0.623 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672013953 493725039 /nfs/dbraw/zinc/72/50/39/493725039.db2.gz IGTCZOOEBVZORM-ZFWWWQNUSA-N 2 2 362.478 0.071 20 0 FCADLP CC(C)OC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161226 493748241 /nfs/dbraw/zinc/74/82/41/493748241.db2.gz QNZUPGMMTRVPHW-FUHWJXTLSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)OC[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161226 493748243 /nfs/dbraw/zinc/74/82/43/493748243.db2.gz QNZUPGMMTRVPHW-FUHWJXTLSA-N 2 2 368.522 0.990 20 0 FCADLP CN(C(=O)N[C@H]1CCCN(C)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216738 493751471 /nfs/dbraw/zinc/75/14/71/493751471.db2.gz JOOZLYFELLRRJE-CVEARBPZSA-N 2 2 351.495 0.417 20 0 FCADLP CN(C(=O)N[C@H]1CCCN(C)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216738 493751472 /nfs/dbraw/zinc/75/14/72/493751472.db2.gz JOOZLYFELLRRJE-CVEARBPZSA-N 2 2 351.495 0.417 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306707 493752724 /nfs/dbraw/zinc/75/27/24/493752724.db2.gz VJSSICDNGLQMCC-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672306707 493752725 /nfs/dbraw/zinc/75/27/25/493752725.db2.gz VJSSICDNGLQMCC-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000672320266 493756743 /nfs/dbraw/zinc/75/67/43/493756743.db2.gz BZEXVKQGXBNZRM-XHSDSOJGSA-N 2 2 363.462 0.272 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000410889972 533850435 /nfs/dbraw/zinc/85/04/35/533850435.db2.gz OTOQOBSCDCCMNB-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410889972 533850442 /nfs/dbraw/zinc/85/04/42/533850442.db2.gz OTOQOBSCDCCMNB-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H]1CSCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410571390 534063013 /nfs/dbraw/zinc/06/30/13/534063013.db2.gz BXNKYCBJQXWYMS-AWEZNQCLSA-N 2 2 356.536 0.435 20 0 FCADLP C[C@H]1CSCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410571390 534063018 /nfs/dbraw/zinc/06/30/18/534063018.db2.gz BXNKYCBJQXWYMS-AWEZNQCLSA-N 2 2 356.536 0.435 20 0 FCADLP Cc1ccn2cc(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)[nH+]c2c1 ZINC000264461148 534360701 /nfs/dbraw/zinc/36/07/01/534360701.db2.gz IXININOBGOMGBZ-OAHLLOKOSA-N 2 2 358.446 0.782 20 0 FCADLP Cc1ccn2cc(CNC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)[nH+]c2c1 ZINC000264461148 534360710 /nfs/dbraw/zinc/36/07/10/534360710.db2.gz IXININOBGOMGBZ-OAHLLOKOSA-N 2 2 358.446 0.782 20 0 FCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423870345 536442478 /nfs/dbraw/zinc/44/24/78/536442478.db2.gz OVXRRXZLCCEQRL-SFHVURJKSA-N 3 2 352.523 0.759 20 0 FCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423870345 536442479 /nfs/dbraw/zinc/44/24/79/536442479.db2.gz OVXRRXZLCCEQRL-SFHVURJKSA-N 3 2 352.523 0.759 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC[N@@H+]1C ZINC000410730381 527822302 /nfs/dbraw/zinc/82/23/02/527822302.db2.gz MJINNBFOKCKOTP-DLBZAZTESA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC[N@H+]1C ZINC000410730381 527822306 /nfs/dbraw/zinc/82/23/06/527822306.db2.gz MJINNBFOKCKOTP-DLBZAZTESA-N 2 2 360.458 0.860 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410946039 527892597 /nfs/dbraw/zinc/89/25/97/527892597.db2.gz OVIVZTJRISWVQV-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410946039 527892602 /nfs/dbraw/zinc/89/26/02/527892602.db2.gz OVIVZTJRISWVQV-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000410885810 528248403 /nfs/dbraw/zinc/24/84/03/528248403.db2.gz DZUSTXKWFDHCON-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000410778616 528887359 /nfs/dbraw/zinc/88/73/59/528887359.db2.gz ZEEPFNZPLCCMHG-INIZCTEOSA-N 2 2 356.511 0.089 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410635761 529030642 /nfs/dbraw/zinc/03/06/42/529030642.db2.gz WUNKISYPSVQFEO-IYBDPMFKSA-N 2 2 354.495 0.107 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410635761 529030647 /nfs/dbraw/zinc/03/06/47/529030647.db2.gz WUNKISYPSVQFEO-IYBDPMFKSA-N 2 2 354.495 0.107 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410888166 529114240 /nfs/dbraw/zinc/11/42/40/529114240.db2.gz URMDGYNHZZHTRR-OAHLLOKOSA-N 2 2 364.494 0.414 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410568750 529116165 /nfs/dbraw/zinc/11/61/65/529116165.db2.gz CRHCPODXJPZTHO-INIZCTEOSA-N 2 2 374.489 0.312 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000419480489 535439297 /nfs/dbraw/zinc/43/92/97/535439297.db2.gz NMFGXBVFGCKDNI-QGZVFWFLSA-N 2 2 367.538 0.121 20 0 FCADLP CCN1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000415204458 535608833 /nfs/dbraw/zinc/60/88/33/535608833.db2.gz NXSHVENCHINOAH-MRXNPFEDSA-N 2 2 370.457 0.973 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)c1coc(C[NH3+])c1)C(=O)NCC[NH+]1CCOCC1 ZINC000444166130 535664326 /nfs/dbraw/zinc/66/43/26/535664326.db2.gz JPYMAHHVGJREIL-CZUORRHYSA-N 2 2 366.462 0.331 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000436222181 536353672 /nfs/dbraw/zinc/35/36/72/536353672.db2.gz UTTGTLXZGFLTNH-OAHLLOKOSA-N 2 2 350.463 0.154 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000436222181 536353674 /nfs/dbraw/zinc/35/36/74/536353674.db2.gz UTTGTLXZGFLTNH-OAHLLOKOSA-N 2 2 350.463 0.154 20 0 FCADLP COC[C@H]1C[N@H+](CCOCC[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281279 536585669 /nfs/dbraw/zinc/58/56/69/536585669.db2.gz GMYKPRYVZOTCHA-FZDBZEDMSA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281279 536585682 /nfs/dbraw/zinc/58/56/82/536585682.db2.gz GMYKPRYVZOTCHA-FZDBZEDMSA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281279 536585684 /nfs/dbraw/zinc/58/56/84/536585684.db2.gz GMYKPRYVZOTCHA-FZDBZEDMSA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281279 536585691 /nfs/dbraw/zinc/58/56/91/536585691.db2.gz GMYKPRYVZOTCHA-FZDBZEDMSA-N 2 2 360.495 0.474 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000363476536 546529803 /nfs/dbraw/zinc/52/98/03/546529803.db2.gz KEJHTNFYUHNKTP-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278277 546624677 /nfs/dbraw/zinc/62/46/77/546624677.db2.gz CHMZUVKQTIQHRP-XJKSGUPXSA-N 2 2 351.422 0.869 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278277 546624678 /nfs/dbraw/zinc/62/46/78/546624678.db2.gz CHMZUVKQTIQHRP-XJKSGUPXSA-N 2 2 351.422 0.869 20 0 FCADLP CCC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000592443447 546646739 /nfs/dbraw/zinc/64/67/39/546646739.db2.gz VHSSQFCQEABHSB-UHFFFAOYSA-N 2 2 368.503 0.903 20 0 FCADLP CCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000592443447 546646743 /nfs/dbraw/zinc/64/67/43/546646743.db2.gz VHSSQFCQEABHSB-UHFFFAOYSA-N 2 2 368.503 0.903 20 0 FCADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000592472071 546650774 /nfs/dbraw/zinc/65/07/74/546650774.db2.gz HRTUQZNHQPQFDM-UHFFFAOYSA-N 2 2 350.463 0.828 20 0 FCADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000592472071 546650779 /nfs/dbraw/zinc/65/07/79/546650779.db2.gz HRTUQZNHQPQFDM-UHFFFAOYSA-N 2 2 350.463 0.828 20 0 FCADLP COC(=O)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593902976 546767039 /nfs/dbraw/zinc/76/70/39/546767039.db2.gz ZFLFKZVAARKBHJ-CQSZACIVSA-N 2 2 350.419 0.197 20 0 FCADLP CSCC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nnc2ccccn21 ZINC000593906153 546767432 /nfs/dbraw/zinc/76/74/32/546767432.db2.gz RUOLKXVLZUGFCR-CHWSQXEVSA-N 2 2 350.492 0.919 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000594336244 546784744 /nfs/dbraw/zinc/78/47/44/546784744.db2.gz ITODBZZLEOUEOQ-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000594336244 546784745 /nfs/dbraw/zinc/78/47/45/546784745.db2.gz ITODBZZLEOUEOQ-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP CCS(=O)(=O)c1cccc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000545897161 547034901 /nfs/dbraw/zinc/03/49/01/547034901.db2.gz NZWHJGHXPUWCKD-UHFFFAOYSA-N 2 2 369.531 0.975 20 0 FCADLP Cc1nn(C)c(C)c1S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548473966 547060900 /nfs/dbraw/zinc/06/09/00/547060900.db2.gz YEVQHPYIKPCYQR-UHFFFAOYSA-N 2 2 364.475 0.985 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000549940481 547075057 /nfs/dbraw/zinc/07/50/57/547075057.db2.gz KDZOWCDIDUBQJJ-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000549995861 547076107 /nfs/dbraw/zinc/07/61/07/547076107.db2.gz YRSPETMWIFBNJG-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP COC(=O)CC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000550651163 547094505 /nfs/dbraw/zinc/09/45/05/547094505.db2.gz PDRLTQLOJOIFRV-UHFFFAOYSA-N 2 2 354.495 0.997 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000550691475 547098317 /nfs/dbraw/zinc/09/83/17/547098317.db2.gz HHSURVBSOHHCIH-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000550691475 547098320 /nfs/dbraw/zinc/09/83/20/547098320.db2.gz HHSURVBSOHHCIH-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1CCOCC1 ZINC000550822741 547108533 /nfs/dbraw/zinc/10/85/33/547108533.db2.gz YCRRABNYBQSCML-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1CCOCC1 ZINC000550822741 547108536 /nfs/dbraw/zinc/10/85/36/547108536.db2.gz YCRRABNYBQSCML-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[C@H](C)C(=O)NCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000551223743 547136874 /nfs/dbraw/zinc/13/68/74/547136874.db2.gz WLSBEALAMVSGEU-KRWDZBQOSA-N 2 2 354.539 0.925 20 0 FCADLP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000551223743 547136880 /nfs/dbraw/zinc/13/68/80/547136880.db2.gz WLSBEALAMVSGEU-KRWDZBQOSA-N 2 2 354.539 0.925 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000552309676 547200438 /nfs/dbraw/zinc/20/04/38/547200438.db2.gz RNLGWPVLCJMIBV-GDBMZVCRSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552339352 547201008 /nfs/dbraw/zinc/20/10/08/547201008.db2.gz LCHIAOZJMRZPHX-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000552339352 547201019 /nfs/dbraw/zinc/20/10/19/547201019.db2.gz LCHIAOZJMRZPHX-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000552340653 547201282 /nfs/dbraw/zinc/20/12/82/547201282.db2.gz BISCWOHEQPWYGV-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553615228 547293889 /nfs/dbraw/zinc/29/38/89/547293889.db2.gz GBTWPKXZIGCIOW-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000485407990 547351027 /nfs/dbraw/zinc/35/10/27/547351027.db2.gz KTYQTDMXXMEUQE-IRXDYDNUSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000485407990 547351031 /nfs/dbraw/zinc/35/10/31/547351031.db2.gz KTYQTDMXXMEUQE-IRXDYDNUSA-N 2 2 356.511 0.443 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000736865967 598995744 /nfs/dbraw/zinc/99/57/44/598995744.db2.gz ACCPKGHTTDVZBL-UHFFFAOYSA-N 2 2 365.401 0.661 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736266918 598522986 /nfs/dbraw/zinc/52/29/86/598522986.db2.gz QATXCTXTCSHDFQ-MGPQQGTHSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000736266918 598522987 /nfs/dbraw/zinc/52/29/87/598522987.db2.gz QATXCTXTCSHDFQ-MGPQQGTHSA-N 2 2 359.482 0.815 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000737875140 598686043 /nfs/dbraw/zinc/68/60/43/598686043.db2.gz CEDVETVHFXTIFH-UHFFFAOYSA-N 2 2 355.446 0.607 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821575700 606215672 /nfs/dbraw/zinc/21/56/72/606215672.db2.gz MGFMFBLFIZETFI-AWEZNQCLSA-N 2 2 363.491 0.961 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821575700 606215674 /nfs/dbraw/zinc/21/56/74/606215674.db2.gz MGFMFBLFIZETFI-AWEZNQCLSA-N 2 2 363.491 0.961 20 0 FCADLP c1sc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000823821475 606221012 /nfs/dbraw/zinc/22/10/12/606221012.db2.gz UNYLUCDOECNHIB-AWEZNQCLSA-N 2 2 363.491 0.424 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC000821628900 606316844 /nfs/dbraw/zinc/31/68/44/606316844.db2.gz UEULQJWZXVUJPN-UHFFFAOYSA-N 2 2 353.390 0.594 20 0 FCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479735 606860298 /nfs/dbraw/zinc/86/02/98/606860298.db2.gz BOECIIBHTUUNCX-CXAGYDPISA-N 2 2 360.462 0.677 20 0 FCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479735 606860300 /nfs/dbraw/zinc/86/03/00/606860300.db2.gz BOECIIBHTUUNCX-CXAGYDPISA-N 2 2 360.462 0.677 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625084 607072964 /nfs/dbraw/zinc/07/29/64/607072964.db2.gz FIUPUDJBERBHAF-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625084 607072966 /nfs/dbraw/zinc/07/29/66/607072966.db2.gz FIUPUDJBERBHAF-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625084 607072967 /nfs/dbraw/zinc/07/29/67/607072967.db2.gz FIUPUDJBERBHAF-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625084 607072969 /nfs/dbraw/zinc/07/29/69/607072969.db2.gz FIUPUDJBERBHAF-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825458186 608020912 /nfs/dbraw/zinc/02/09/12/608020912.db2.gz ABCJEGOXRZUQFU-LBPRGKRZSA-N 2 2 361.454 0.555 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825458186 608020913 /nfs/dbraw/zinc/02/09/13/608020913.db2.gz ABCJEGOXRZUQFU-LBPRGKRZSA-N 2 2 361.454 0.555 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825938071 608418565 /nfs/dbraw/zinc/41/85/65/608418565.db2.gz OAVLGIBPMVNRRU-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000825938071 608418566 /nfs/dbraw/zinc/41/85/66/608418566.db2.gz OAVLGIBPMVNRRU-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826021637 609213023 /nfs/dbraw/zinc/21/30/23/609213023.db2.gz BHPOUVIFOHGMLA-AWEZNQCLSA-N 2 2 358.450 0.435 20 0 FCADLP CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826021637 609213025 /nfs/dbraw/zinc/21/30/25/609213025.db2.gz BHPOUVIFOHGMLA-AWEZNQCLSA-N 2 2 358.450 0.435 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[NH+](CC2CC2)C1 ZINC000970197406 663247174 /nfs/dbraw/zinc/24/71/74/663247174.db2.gz AVGVKCZYYAPVGR-QGTPRVQTSA-N 2 2 351.491 0.713 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891412044 663385709 /nfs/dbraw/zinc/38/57/09/663385709.db2.gz UQZTWRPSTAFPBU-BFYDXBDKSA-N 2 2 354.520 0.730 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891512625 663411052 /nfs/dbraw/zinc/41/10/52/663411052.db2.gz RWRHDVSIEKUVKI-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891512625 663411054 /nfs/dbraw/zinc/41/10/54/663411054.db2.gz RWRHDVSIEKUVKI-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891528260 663412217 /nfs/dbraw/zinc/41/22/17/663412217.db2.gz NYQZJLBBBDWTBC-UPJWGTAASA-N 2 2 351.417 0.401 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022230126 663422577 /nfs/dbraw/zinc/42/25/77/663422577.db2.gz QAQKROBAOODFGF-VQJWOFKYSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022230126 663422581 /nfs/dbraw/zinc/42/25/81/663422581.db2.gz QAQKROBAOODFGF-VQJWOFKYSA-N 2 2 366.487 0.575 20 0 FCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC000935219398 663660263 /nfs/dbraw/zinc/66/02/63/663660263.db2.gz DLZJGNGTBMMRLJ-SJORKVTESA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC000935219398 663660266 /nfs/dbraw/zinc/66/02/66/663660266.db2.gz DLZJGNGTBMMRLJ-SJORKVTESA-N 2 2 351.491 0.953 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892484346 663963048 /nfs/dbraw/zinc/96/30/48/663963048.db2.gz CAPIUWXDTGNPKD-MRXNPFEDSA-N 2 2 356.511 0.755 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCO1 ZINC000892513817 663994211 /nfs/dbraw/zinc/99/42/11/663994211.db2.gz LMAVTFRYOGWYBS-OAHLLOKOSA-N 2 2 365.503 0.894 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CCO1 ZINC000892606090 664047342 /nfs/dbraw/zinc/04/73/42/664047342.db2.gz XKPBQSFOGRAQAU-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CCO1 ZINC000892606090 664047345 /nfs/dbraw/zinc/04/73/45/664047345.db2.gz XKPBQSFOGRAQAU-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892606090 664047349 /nfs/dbraw/zinc/04/73/49/664047349.db2.gz XKPBQSFOGRAQAU-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCO1 ZINC000892606090 664047353 /nfs/dbraw/zinc/04/73/53/664047353.db2.gz XKPBQSFOGRAQAU-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000892879591 664152642 /nfs/dbraw/zinc/15/26/42/664152642.db2.gz QNLZLOAWPBKGHK-ZDUSSCGKSA-N 2 2 365.503 0.877 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892882107 664152710 /nfs/dbraw/zinc/15/27/10/664152710.db2.gz DHCBPYBSPYOLKH-UHFFFAOYSA-N 2 2 353.492 0.734 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981194473 664817185 /nfs/dbraw/zinc/81/71/85/664817185.db2.gz ROQBVQFFJMWAKK-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981194473 664817190 /nfs/dbraw/zinc/81/71/90/664817190.db2.gz ROQBVQFFJMWAKK-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194473 664817195 /nfs/dbraw/zinc/81/71/95/664817195.db2.gz ROQBVQFFJMWAKK-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194473 664817198 /nfs/dbraw/zinc/81/71/98/664817198.db2.gz ROQBVQFFJMWAKK-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCc3ccns3)CC2)O1 ZINC000981439691 664827574 /nfs/dbraw/zinc/82/75/74/664827574.db2.gz HXCPIRQQYHLYHV-GDBMZVCRSA-N 2 2 352.504 0.939 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCc3ccns3)CC2)O1 ZINC000981439691 664827578 /nfs/dbraw/zinc/82/75/78/664827578.db2.gz HXCPIRQQYHLYHV-GDBMZVCRSA-N 2 2 352.504 0.939 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCc3ccns3)CC2)O1 ZINC000981439691 664827583 /nfs/dbraw/zinc/82/75/83/664827583.db2.gz HXCPIRQQYHLYHV-GDBMZVCRSA-N 2 2 352.504 0.939 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCc3ccns3)CC2)O1 ZINC000981439691 664827586 /nfs/dbraw/zinc/82/75/86/664827586.db2.gz HXCPIRQQYHLYHV-GDBMZVCRSA-N 2 2 352.504 0.939 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000893742630 664872893 /nfs/dbraw/zinc/87/28/93/664872893.db2.gz KYEYNBHXFRNVDO-HYVNUMGLSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000893742630 664872897 /nfs/dbraw/zinc/87/28/97/664872897.db2.gz KYEYNBHXFRNVDO-HYVNUMGLSA-N 2 2 354.495 0.384 20 0 FCADLP Cc1nc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628850 664930834 /nfs/dbraw/zinc/93/08/34/664930834.db2.gz APUXQXJJRXKCOO-DAXOMENPSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628850 664930836 /nfs/dbraw/zinc/93/08/36/664930836.db2.gz APUXQXJJRXKCOO-DAXOMENPSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628850 664930837 /nfs/dbraw/zinc/93/08/37/664930837.db2.gz APUXQXJJRXKCOO-DAXOMENPSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628850 664930838 /nfs/dbraw/zinc/93/08/38/664930838.db2.gz APUXQXJJRXKCOO-DAXOMENPSA-N 2 2 350.463 0.949 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000984417544 665040191 /nfs/dbraw/zinc/04/01/91/665040191.db2.gz YNEQUSXGXYGMIV-TVFCKZIOSA-N 2 2 351.491 0.761 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000895487190 665046128 /nfs/dbraw/zinc/04/61/28/665046128.db2.gz NHJDFMGHJKTAID-UHFFFAOYSA-N 2 2 368.503 0.996 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000895486532 665046232 /nfs/dbraw/zinc/04/62/32/665046232.db2.gz FJGBNHPYQYKRKE-HIFRSBDPSA-N 2 2 366.487 0.750 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000895486532 665046235 /nfs/dbraw/zinc/04/62/35/665046235.db2.gz FJGBNHPYQYKRKE-HIFRSBDPSA-N 2 2 366.487 0.750 20 0 FCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685983 665054962 /nfs/dbraw/zinc/05/49/62/665054962.db2.gz PDDPISWGIYSSDM-KZNAEPCWSA-N 2 2 352.523 0.820 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000896367542 665082321 /nfs/dbraw/zinc/08/23/21/665082321.db2.gz UNWXIIVGZYZEGY-GDBMZVCRSA-N 2 2 352.479 0.892 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000896367542 665082323 /nfs/dbraw/zinc/08/23/23/665082323.db2.gz UNWXIIVGZYZEGY-GDBMZVCRSA-N 2 2 352.479 0.892 20 0 FCADLP CS[C@@H]1CN(C(=O)c2cccn2CC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000907147216 666104016 /nfs/dbraw/zinc/10/40/16/666104016.db2.gz SFHYVIPQDRDRST-IAGOWNOFSA-N 2 2 366.531 0.938 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000908201272 666193851 /nfs/dbraw/zinc/19/38/51/666193851.db2.gz DASJMRKRBMRQQY-INIZCTEOSA-N 2 2 350.463 0.007 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911730415 666372560 /nfs/dbraw/zinc/37/25/60/666372560.db2.gz NVRKOBOZDOVUJT-XHSDSOJGSA-N 2 2 354.495 0.189 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911730415 666372563 /nfs/dbraw/zinc/37/25/63/666372563.db2.gz NVRKOBOZDOVUJT-XHSDSOJGSA-N 2 2 354.495 0.189 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000069109649 666496364 /nfs/dbraw/zinc/49/63/64/666496364.db2.gz NFQXYMZURZLQOT-JKSUJKDBSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000069109649 666496368 /nfs/dbraw/zinc/49/63/68/666496368.db2.gz NFQXYMZURZLQOT-JKSUJKDBSA-N 2 2 372.535 0.421 20 0 FCADLP C[N@H+](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCC1 ZINC000069111429 666496482 /nfs/dbraw/zinc/49/64/82/666496482.db2.gz GSKZYARQNQDKFL-UHFFFAOYSA-N 2 2 374.551 0.669 20 0 FCADLP C[N@@H+](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCC1 ZINC000069111429 666496484 /nfs/dbraw/zinc/49/64/84/666496484.db2.gz GSKZYARQNQDKFL-UHFFFAOYSA-N 2 2 374.551 0.669 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000168555654 666579018 /nfs/dbraw/zinc/57/90/18/666579018.db2.gz IOBVNCCDIYUTHW-CVEARBPZSA-N 2 2 359.536 0.909 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000731760797 666838705 /nfs/dbraw/zinc/83/87/05/666838705.db2.gz ANCFQBFFNMSTCF-MRXNPFEDSA-N 2 2 372.535 0.375 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286925 666903636 /nfs/dbraw/zinc/90/36/36/666903636.db2.gz QTDWYZZCOHOVID-YPMHNXCESA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286925 666903637 /nfs/dbraw/zinc/90/36/37/666903637.db2.gz QTDWYZZCOHOVID-YPMHNXCESA-N 2 2 352.401 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C(F)F ZINC000993605607 666920616 /nfs/dbraw/zinc/92/06/16/666920616.db2.gz GJKYHRAQBGTIDX-VXGBXAGGSA-N 2 2 355.389 0.192 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000734272239 666958643 /nfs/dbraw/zinc/95/86/43/666958643.db2.gz PEEGJCKOBSBDAR-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000734272239 666958644 /nfs/dbraw/zinc/95/86/44/666958644.db2.gz PEEGJCKOBSBDAR-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734279017 666959308 /nfs/dbraw/zinc/95/93/08/666959308.db2.gz QMVSZXOOTZXMKG-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000996715503 666965254 /nfs/dbraw/zinc/96/52/54/666965254.db2.gz GLKGVOGXYGQRQV-TYNCELHUSA-N 2 2 350.467 0.474 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000996715503 666965256 /nfs/dbraw/zinc/96/52/56/666965256.db2.gz GLKGVOGXYGQRQV-TYNCELHUSA-N 2 2 350.467 0.474 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000916017174 666986768 /nfs/dbraw/zinc/98/67/68/666986768.db2.gz VUWQIOCZMXCQJT-KRWDZBQOSA-N 2 2 370.563 0.770 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000916017174 666986771 /nfs/dbraw/zinc/98/67/71/666986771.db2.gz VUWQIOCZMXCQJT-KRWDZBQOSA-N 2 2 370.563 0.770 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CCCO)CN1CC[NH+]1CCOCC1 ZINC000925445761 667093475 /nfs/dbraw/zinc/09/34/75/667093475.db2.gz FJFFNNINPYVXPU-OKZBNKHCSA-N 2 2 353.507 0.840 20 0 FCADLP CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906332 667140399 /nfs/dbraw/zinc/14/03/99/667140399.db2.gz MZSJTZIJEYKWHL-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906332 667140403 /nfs/dbraw/zinc/14/04/03/667140403.db2.gz MZSJTZIJEYKWHL-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3csnn3)CC2)O1 ZINC000997857055 667178499 /nfs/dbraw/zinc/17/84/99/667178499.db2.gz VJDGZAQHAMGVAN-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3csnn3)CC2)O1 ZINC000997857055 667178504 /nfs/dbraw/zinc/17/85/04/667178504.db2.gz VJDGZAQHAMGVAN-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000919510571 667182577 /nfs/dbraw/zinc/18/25/77/667182577.db2.gz UZEYAIUWCCLLJG-QGZVFWFLSA-N 2 2 355.527 0.424 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000998983093 667225011 /nfs/dbraw/zinc/22/50/11/667225011.db2.gz IQYRUPWNIVSUHA-BLYZHGLHSA-N 2 2 351.451 0.430 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000998983093 667225015 /nfs/dbraw/zinc/22/50/15/667225015.db2.gz IQYRUPWNIVSUHA-BLYZHGLHSA-N 2 2 351.451 0.430 20 0 FCADLP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000999495952 667242187 /nfs/dbraw/zinc/24/21/87/667242187.db2.gz MSRMKSYIQNDVKW-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000999495952 667242189 /nfs/dbraw/zinc/24/21/89/667242189.db2.gz MSRMKSYIQNDVKW-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP CS/C=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000751576533 667476928 /nfs/dbraw/zinc/47/69/28/667476928.db2.gz CDKSVUWDCZRREZ-MLPAPPSSSA-N 2 2 354.520 0.560 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001033185690 667713489 /nfs/dbraw/zinc/71/34/89/667713489.db2.gz PEWITOAUNQKSBG-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001033185690 667713493 /nfs/dbraw/zinc/71/34/93/667713493.db2.gz PEWITOAUNQKSBG-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)O1 ZINC001033185690 667713496 /nfs/dbraw/zinc/71/34/96/667713496.db2.gz PEWITOAUNQKSBG-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)O1 ZINC001033185690 667713498 /nfs/dbraw/zinc/71/34/98/667713498.db2.gz PEWITOAUNQKSBG-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033289108 667727500 /nfs/dbraw/zinc/72/75/00/667727500.db2.gz GTGIIZXOWNWRQB-BBWFWOEESA-N 2 2 357.470 0.759 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001034674606 667763875 /nfs/dbraw/zinc/76/38/75/667763875.db2.gz KNNRDONUKFNQFJ-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001034674606 667763876 /nfs/dbraw/zinc/76/38/76/667763876.db2.gz KNNRDONUKFNQFJ-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000923316820 667824156 /nfs/dbraw/zinc/82/41/56/667824156.db2.gz AFLPUEFNNFEDPM-RCBQFDQVSA-N 2 2 352.866 0.747 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326778 667825565 /nfs/dbraw/zinc/82/55/65/667825565.db2.gz KCPZKAYIEARQHR-MSOLQXFVSA-N 3 2 352.523 0.092 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326778 667825570 /nfs/dbraw/zinc/82/55/70/667825570.db2.gz KCPZKAYIEARQHR-MSOLQXFVSA-N 3 2 352.523 0.092 20 0 FCADLP CC(C)(C)OC(=O)N1CC([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000769766039 668152464 /nfs/dbraw/zinc/15/24/64/668152464.db2.gz DKNNZVJQGWHOOR-UHFFFAOYSA-N 2 2 355.479 0.765 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CN1CC[NH+]1CCOCC1 ZINC000775408660 668214098 /nfs/dbraw/zinc/21/40/98/668214098.db2.gz BFANSHNERDWQDS-KLZNWCGWSA-N 2 2 371.572 0.889 20 0 FCADLP CN(C(=O)NC1COC(C)(C)OC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779733 668273731 /nfs/dbraw/zinc/27/37/31/668273731.db2.gz WYSYNHJTPTXSAU-MRXNPFEDSA-N 2 2 354.495 0.948 20 0 FCADLP CN(C(=O)NC1COC(C)(C)OC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779733 668273732 /nfs/dbraw/zinc/27/37/32/668273732.db2.gz WYSYNHJTPTXSAU-MRXNPFEDSA-N 2 2 354.495 0.948 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000772208567 668293621 /nfs/dbraw/zinc/29/36/21/668293621.db2.gz IXCSTRUBUDJGIX-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000772208567 668293627 /nfs/dbraw/zinc/29/36/27/668293627.db2.gz IXCSTRUBUDJGIX-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217858 668294305 /nfs/dbraw/zinc/29/43/05/668294305.db2.gz FHXKUQAPSUOLHQ-GJZGRUSLSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217858 668294306 /nfs/dbraw/zinc/29/43/06/668294306.db2.gz FHXKUQAPSUOLHQ-GJZGRUSLSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1CN(C)C(=O)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000782577006 668568900 /nfs/dbraw/zinc/56/89/00/668568900.db2.gz ZBPNLOGRCRFWRQ-AWEZNQCLSA-N 2 2 351.495 0.417 20 0 FCADLP NC(=O)CC[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361965 668875320 /nfs/dbraw/zinc/87/53/20/668875320.db2.gz IANOWEGQBHOSCI-KBXCAEBGSA-N 2 2 350.463 0.838 20 0 FCADLP NC(=O)CC[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361965 668875321 /nfs/dbraw/zinc/87/53/21/668875321.db2.gz IANOWEGQBHOSCI-KBXCAEBGSA-N 2 2 350.463 0.838 20 0 FCADLP CC(C)OC[C@@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771725 668995693 /nfs/dbraw/zinc/99/56/93/668995693.db2.gz BGMFYRAVSFCDNT-JKSUJKDBSA-N 2 2 352.479 0.843 20 0 FCADLP CC(C)OC[C@@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771725 668995695 /nfs/dbraw/zinc/99/56/95/668995695.db2.gz BGMFYRAVSFCDNT-JKSUJKDBSA-N 2 2 352.479 0.843 20 0 FCADLP CCNc1nc(N2CC[NH+](CCCCO)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000804502751 669383902 /nfs/dbraw/zinc/38/39/02/669383902.db2.gz ZQBAQLSDSSVYDP-UHFFFAOYSA-N 2 2 351.499 0.830 20 0 FCADLP CCn1nc(C)c(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000824700408 669408577 /nfs/dbraw/zinc/40/85/77/669408577.db2.gz HCDLBOKZPXDKFN-UHFFFAOYSA-N 2 2 351.499 0.774 20 0 FCADLP CCn1nc(C)c(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000824700408 669408582 /nfs/dbraw/zinc/40/85/82/669408582.db2.gz HCDLBOKZPXDKFN-UHFFFAOYSA-N 2 2 351.499 0.774 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4n[nH]c(=S)n4c3)C2)CC1 ZINC000825814511 669469640 /nfs/dbraw/zinc/46/96/40/669469640.db2.gz XNQDOGFDWYYMPC-ZDUSSCGKSA-N 2 2 360.487 0.916 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4n[nH]c(=S)n4c3)C2)CC1 ZINC000825814511 669469644 /nfs/dbraw/zinc/46/96/44/669469644.db2.gz XNQDOGFDWYYMPC-ZDUSSCGKSA-N 2 2 360.487 0.916 20 0 FCADLP CCC(F)(F)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000826662438 669507394 /nfs/dbraw/zinc/50/73/94/669507394.db2.gz JVNUHDQMHZTKPP-UHFFFAOYSA-N 2 2 360.449 0.729 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810073021 669661535 /nfs/dbraw/zinc/66/15/35/669661535.db2.gz YSWOHVAPQCXHGT-LBPRGKRZSA-N 2 2 350.385 0.151 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810073021 669661537 /nfs/dbraw/zinc/66/15/37/669661537.db2.gz YSWOHVAPQCXHGT-LBPRGKRZSA-N 2 2 350.385 0.151 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2csnn2)C3)O1 ZINC000964030571 675036605 /nfs/dbraw/zinc/03/66/05/675036605.db2.gz RDNCRLCORACLBH-OFVUARNUSA-N 2 2 365.503 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2csnn2)C3)O1 ZINC000964030571 675036608 /nfs/dbraw/zinc/03/66/08/675036608.db2.gz RDNCRLCORACLBH-OFVUARNUSA-N 2 2 365.503 0.774 20 0 FCADLP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817891536 670047075 /nfs/dbraw/zinc/04/70/75/670047075.db2.gz CLJMEHYYEJFUHS-SJORKVTESA-N 2 2 353.488 0.463 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121456875 670057294 /nfs/dbraw/zinc/05/72/94/670057294.db2.gz CJYZOYMRVFPLQR-OAHLLOKOSA-N 2 2 354.495 0.996 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121456875 670057296 /nfs/dbraw/zinc/05/72/96/670057296.db2.gz CJYZOYMRVFPLQR-OAHLLOKOSA-N 2 2 354.495 0.996 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000844184161 670906600 /nfs/dbraw/zinc/90/66/00/670906600.db2.gz AXTPMRIUPONGIB-MRXNPFEDSA-N 2 2 353.488 0.620 20 0 FCADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952543 675910000 /nfs/dbraw/zinc/91/00/00/675910000.db2.gz MWGLPONIPGPCGR-XDNAFOTISA-N 2 2 351.491 0.666 20 0 FCADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952543 675910003 /nfs/dbraw/zinc/91/00/03/675910003.db2.gz MWGLPONIPGPCGR-XDNAFOTISA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3ncc(Br)c3C2)CC1 ZINC000852625295 671515594 /nfs/dbraw/zinc/51/55/94/671515594.db2.gz MOUGMINBFROKKL-UHFFFAOYSA-N 2 2 356.268 0.625 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3ncc(Br)c3C2)CC1 ZINC000852625295 671515595 /nfs/dbraw/zinc/51/55/95/671515595.db2.gz MOUGMINBFROKKL-UHFFFAOYSA-N 2 2 356.268 0.625 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852709112 671518838 /nfs/dbraw/zinc/51/88/38/671518838.db2.gz CTHLLETVJWHSAF-CYBMUJFWSA-N 2 2 366.487 0.707 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852709112 671518839 /nfs/dbraw/zinc/51/88/39/671518839.db2.gz CTHLLETVJWHSAF-CYBMUJFWSA-N 2 2 366.487 0.707 20 0 FCADLP CN(C(=O)/C=C\CN1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728540 672249365 /nfs/dbraw/zinc/24/93/65/672249365.db2.gz WOYCUZNGENVQNK-DDKKJVIOSA-N 2 2 350.507 0.502 20 0 FCADLP CN(C(=O)/C=C\CN1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728540 672249368 /nfs/dbraw/zinc/24/93/68/672249368.db2.gz WOYCUZNGENVQNK-DDKKJVIOSA-N 2 2 350.507 0.502 20 0 FCADLP C[N@@H+]1CC[C@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232713 672390156 /nfs/dbraw/zinc/39/01/56/672390156.db2.gz RZRYPUHQLHDAGG-HOCLYGCPSA-N 2 2 372.535 0.231 20 0 FCADLP C[N@H+]1CC[C@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232713 672390158 /nfs/dbraw/zinc/39/01/58/672390158.db2.gz RZRYPUHQLHDAGG-HOCLYGCPSA-N 2 2 372.535 0.231 20 0 FCADLP CC1=C(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)S(=O)(=O)CCO1 ZINC000870667118 672505266 /nfs/dbraw/zinc/50/52/66/672505266.db2.gz RHDZSPAZLOEKPQ-UHFFFAOYSA-N 2 2 366.443 0.448 20 0 FCADLP CC(C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055595516 676026051 /nfs/dbraw/zinc/02/60/51/676026051.db2.gz YCNDJEYVMRSHPX-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055595516 676026053 /nfs/dbraw/zinc/02/60/53/676026053.db2.gz YCNDJEYVMRSHPX-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000874450499 672784690 /nfs/dbraw/zinc/78/46/90/672784690.db2.gz DAPXKCZBSIPQLS-INIZCTEOSA-N 2 2 357.520 0.629 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000874450499 672784695 /nfs/dbraw/zinc/78/46/95/672784695.db2.gz DAPXKCZBSIPQLS-INIZCTEOSA-N 2 2 357.520 0.629 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CN3CCCCS3(=O)=O)CC2)CC1 ZINC000878553813 673065899 /nfs/dbraw/zinc/06/58/99/673065899.db2.gz SANBALLMYSLEIL-UHFFFAOYSA-N 2 2 372.535 0.087 20 0 FCADLP CN(C(=O)CN1CCCCS1(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167847 673102410 /nfs/dbraw/zinc/10/24/10/673102410.db2.gz XPTGAZVIXSLDHK-INIZCTEOSA-N 2 2 372.535 0.039 20 0 FCADLP CN(C(=O)CN1CCCCS1(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167847 673102412 /nfs/dbraw/zinc/10/24/12/673102412.db2.gz XPTGAZVIXSLDHK-INIZCTEOSA-N 2 2 372.535 0.039 20 0 FCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254361 673183744 /nfs/dbraw/zinc/18/37/44/673183744.db2.gz UHUDEGXQEGRPMP-JKSUJKDBSA-N 2 2 357.495 0.205 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634008 673328704 /nfs/dbraw/zinc/32/87/04/673328704.db2.gz HIAQQEVOUFEWEY-IAGOWNOFSA-N 2 2 370.563 0.337 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634008 673328706 /nfs/dbraw/zinc/32/87/06/673328706.db2.gz HIAQQEVOUFEWEY-IAGOWNOFSA-N 2 2 370.563 0.337 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634007 673328839 /nfs/dbraw/zinc/32/88/39/673328839.db2.gz HIAQQEVOUFEWEY-DLBZAZTESA-N 2 2 370.563 0.337 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634007 673328841 /nfs/dbraw/zinc/32/88/41/673328841.db2.gz HIAQQEVOUFEWEY-DLBZAZTESA-N 2 2 370.563 0.337 20 0 FCADLP COC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOC1 ZINC000883371529 673372284 /nfs/dbraw/zinc/37/22/84/673372284.db2.gz OBRXIYFXVHLXHD-QRVBRYPASA-N 2 2 355.523 0.814 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774906 673480833 /nfs/dbraw/zinc/48/08/33/673480833.db2.gz ULDQXJXKUOXQGG-LVQVYYBASA-N 2 2 354.495 0.201 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774906 673480834 /nfs/dbraw/zinc/48/08/34/673480834.db2.gz ULDQXJXKUOXQGG-LVQVYYBASA-N 2 2 354.495 0.201 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887053964 673616948 /nfs/dbraw/zinc/61/69/48/673616948.db2.gz KAUPDAGXGFDCBT-HPFXQQBRSA-N 2 2 352.479 0.174 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887053964 673616949 /nfs/dbraw/zinc/61/69/49/673616949.db2.gz KAUPDAGXGFDCBT-HPFXQQBRSA-N 2 2 352.479 0.174 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887053964 673616953 /nfs/dbraw/zinc/61/69/53/673616953.db2.gz KAUPDAGXGFDCBT-HPFXQQBRSA-N 2 2 352.479 0.174 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887053964 673616957 /nfs/dbraw/zinc/61/69/57/673616957.db2.gz KAUPDAGXGFDCBT-HPFXQQBRSA-N 2 2 352.479 0.174 20 0 FCADLP CC[C@H](C)[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(N)=O ZINC000132070125 673731129 /nfs/dbraw/zinc/73/11/29/673731129.db2.gz DPIZEFUAERPVIG-BBRMVZONSA-N 2 2 352.504 0.882 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000925597228 673795729 /nfs/dbraw/zinc/79/57/29/673795729.db2.gz LUEQOEGLSRRCQI-JKSUJKDBSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000925597228 673795732 /nfs/dbraw/zinc/79/57/32/673795732.db2.gz LUEQOEGLSRRCQI-JKSUJKDBSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925600642 673796103 /nfs/dbraw/zinc/79/61/03/673796103.db2.gz HQXTWMVUBXKQKR-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP Cc1cccc(NCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000927480844 673863947 /nfs/dbraw/zinc/86/39/47/673863947.db2.gz PGVISNBHCXXKGS-HNNXBMFYSA-N 2 2 351.451 0.136 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3C3CCOCC3)C[C@H]21 ZINC000927637116 673872869 /nfs/dbraw/zinc/87/28/69/673872869.db2.gz NLZXJIOKLMSWPQ-BRWVUGGUSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)C[C@H]21 ZINC000927637116 673872871 /nfs/dbraw/zinc/87/28/71/673872871.db2.gz NLZXJIOKLMSWPQ-BRWVUGGUSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCOCC3)C[C@H]21 ZINC000927637116 673872874 /nfs/dbraw/zinc/87/28/74/673872874.db2.gz NLZXJIOKLMSWPQ-BRWVUGGUSA-N 2 2 352.479 0.354 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2cnns2)CC3)O1 ZINC001016691617 675404604 /nfs/dbraw/zinc/40/46/04/675404604.db2.gz WUKRQEHQAPBZOH-BPLDGKMQSA-N 2 2 365.503 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC23CC[NH+](Cc2cnns2)CC3)O1 ZINC001016691617 675404605 /nfs/dbraw/zinc/40/46/05/675404605.db2.gz WUKRQEHQAPBZOH-BPLDGKMQSA-N 2 2 365.503 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001019032044 675419925 /nfs/dbraw/zinc/41/99/25/675419925.db2.gz BWYYABODARVJRG-TYNCELHUSA-N 2 2 355.870 0.483 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001019032044 675419927 /nfs/dbraw/zinc/41/99/27/675419927.db2.gz BWYYABODARVJRG-TYNCELHUSA-N 2 2 355.870 0.483 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020255871 675438883 /nfs/dbraw/zinc/43/88/83/675438883.db2.gz AQMWPZWNLLULKD-KBUPBQIOSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020255871 675438887 /nfs/dbraw/zinc/43/88/87/675438887.db2.gz AQMWPZWNLLULKD-KBUPBQIOSA-N 2 2 366.487 0.575 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001020286633 675439395 /nfs/dbraw/zinc/43/93/95/675439395.db2.gz HDHGCWYDCPTUOB-DHGKCCLASA-N 2 2 350.467 0.384 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001020286633 675439398 /nfs/dbraw/zinc/43/93/98/675439398.db2.gz HDHGCWYDCPTUOB-DHGKCCLASA-N 2 2 350.467 0.384 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001038268624 675443082 /nfs/dbraw/zinc/44/30/82/675443082.db2.gz IVQUTJGZYHTEOD-IXDOHACOSA-N 2 2 371.547 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001038268624 675443083 /nfs/dbraw/zinc/44/30/83/675443083.db2.gz IVQUTJGZYHTEOD-IXDOHACOSA-N 2 2 371.547 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038268624 675443084 /nfs/dbraw/zinc/44/30/84/675443084.db2.gz IVQUTJGZYHTEOD-IXDOHACOSA-N 2 2 371.547 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038268624 675443085 /nfs/dbraw/zinc/44/30/85/675443085.db2.gz IVQUTJGZYHTEOD-IXDOHACOSA-N 2 2 371.547 0.732 20 0 FCADLP Cc1ncsc1CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043069525 675563265 /nfs/dbraw/zinc/56/32/65/675563265.db2.gz BRPTZDYRYWZHFJ-IUODEOHRSA-N 2 2 352.504 0.856 20 0 FCADLP Cc1ncsc1CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043069525 675563266 /nfs/dbraw/zinc/56/32/66/675563266.db2.gz BRPTZDYRYWZHFJ-IUODEOHRSA-N 2 2 352.504 0.856 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001045090803 675650349 /nfs/dbraw/zinc/65/03/49/675650349.db2.gz GCOUKPDZRIDTNU-HZSPNIEDSA-N 2 2 367.519 0.900 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001045090803 675650352 /nfs/dbraw/zinc/65/03/52/675650352.db2.gz GCOUKPDZRIDTNU-HZSPNIEDSA-N 2 2 367.519 0.900 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000900474416 675685829 /nfs/dbraw/zinc/68/58/29/675685829.db2.gz QNZJWQCYLKFDLK-AWEZNQCLSA-N 2 2 351.451 0.658 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000900474416 675685830 /nfs/dbraw/zinc/68/58/30/675685830.db2.gz QNZJWQCYLKFDLK-AWEZNQCLSA-N 2 2 351.451 0.658 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900598998 675698217 /nfs/dbraw/zinc/69/82/17/675698217.db2.gz BSCJOWJRLZEASR-UHFFFAOYSA-N 2 2 353.507 0.793 20 0 FCADLP C[C@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](CCCF)C1 ZINC001046505697 675721940 /nfs/dbraw/zinc/72/19/40/675721940.db2.gz JQTHPQAKYIYWFI-RYRKJORJSA-N 2 2 357.470 0.806 20 0 FCADLP C[C@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](CCCF)C1 ZINC001046505697 675721941 /nfs/dbraw/zinc/72/19/41/675721941.db2.gz JQTHPQAKYIYWFI-RYRKJORJSA-N 2 2 357.470 0.806 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000901227931 675773268 /nfs/dbraw/zinc/77/32/68/675773268.db2.gz JOAHWFOICUCDMT-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000901227931 675773274 /nfs/dbraw/zinc/77/32/74/675773274.db2.gz JOAHWFOICUCDMT-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801577097 675792788 /nfs/dbraw/zinc/79/27/88/675792788.db2.gz JCGJHGYNDLDTBC-SFHVURJKSA-N 2 2 354.495 0.997 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801577097 675792790 /nfs/dbraw/zinc/79/27/90/675792790.db2.gz JCGJHGYNDLDTBC-SFHVURJKSA-N 2 2 354.495 0.997 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cncs3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385860 675796304 /nfs/dbraw/zinc/79/63/04/675796304.db2.gz FQAXTUPNINMTLP-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cncs3)C[C@@H]2O)CC[N@H+]1C ZINC001047385860 675796306 /nfs/dbraw/zinc/79/63/06/675796306.db2.gz FQAXTUPNINMTLP-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)CC[NH+]1C ZINC001047385860 675796307 /nfs/dbraw/zinc/79/63/07/675796307.db2.gz FQAXTUPNINMTLP-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)CC[NH+]1C ZINC001047385860 675796309 /nfs/dbraw/zinc/79/63/09/675796309.db2.gz FQAXTUPNINMTLP-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001047426140 675798834 /nfs/dbraw/zinc/79/88/34/675798834.db2.gz FCQCFPTXFIZYHQ-IPOQPSJVSA-N 2 2 368.503 0.174 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001047426140 675798837 /nfs/dbraw/zinc/79/88/37/675798837.db2.gz FCQCFPTXFIZYHQ-IPOQPSJVSA-N 2 2 368.503 0.174 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001047426140 675798839 /nfs/dbraw/zinc/79/88/39/675798839.db2.gz FCQCFPTXFIZYHQ-IPOQPSJVSA-N 2 2 368.503 0.174 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001047426140 675798841 /nfs/dbraw/zinc/79/88/41/675798841.db2.gz FCQCFPTXFIZYHQ-IPOQPSJVSA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCC(F)(F)F)C[C@@H]2O)O1 ZINC001047429116 675799207 /nfs/dbraw/zinc/79/92/07/675799207.db2.gz YCXNWYHBXNCBRA-MROQNXINSA-N 2 2 353.385 0.161 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](CCC(F)(F)F)C[C@@H]2O)O1 ZINC001047429116 675799211 /nfs/dbraw/zinc/79/92/11/675799211.db2.gz YCXNWYHBXNCBRA-MROQNXINSA-N 2 2 353.385 0.161 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)O1 ZINC001047429116 675799215 /nfs/dbraw/zinc/79/92/15/675799215.db2.gz YCXNWYHBXNCBRA-MROQNXINSA-N 2 2 353.385 0.161 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)O1 ZINC001047429116 675799219 /nfs/dbraw/zinc/79/92/19/675799219.db2.gz YCXNWYHBXNCBRA-MROQNXINSA-N 2 2 353.385 0.161 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969299479 1167864367 /nfs/dbraw/zinc/86/43/67/1167864367.db2.gz KMXVHVCODWWLPY-AALSBFMBSA-N 2 2 357.458 0.667 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969299479 1167864368 /nfs/dbraw/zinc/86/43/68/1167864368.db2.gz KMXVHVCODWWLPY-AALSBFMBSA-N 2 2 357.458 0.667 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969299479 1167864375 /nfs/dbraw/zinc/86/43/75/1167864375.db2.gz KMXVHVCODWWLPY-AALSBFMBSA-N 2 2 357.458 0.667 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969299479 1167864377 /nfs/dbraw/zinc/86/43/77/1167864377.db2.gz KMXVHVCODWWLPY-AALSBFMBSA-N 2 2 357.458 0.667 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020603496 1168148616 /nfs/dbraw/zinc/14/86/16/1168148616.db2.gz CGGYGUGRAOHLJI-BTFPBAQTSA-N 2 2 355.446 0.539 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001020604114 1168150123 /nfs/dbraw/zinc/15/01/23/1168150123.db2.gz XZUXREJRYSXQDN-KBUPBQIOSA-N 2 2 369.473 0.967 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194158 1168304960 /nfs/dbraw/zinc/30/49/60/1168304960.db2.gz YONJYRFTBHKPPJ-RRQGHBQHSA-N 2 2 364.446 0.176 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194158 1168304965 /nfs/dbraw/zinc/30/49/65/1168304965.db2.gz YONJYRFTBHKPPJ-RRQGHBQHSA-N 2 2 364.446 0.176 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC000970078618 1168326287 /nfs/dbraw/zinc/32/62/87/1168326287.db2.gz GTOIZXLCLGBTSM-CVEARBPZSA-N 2 2 371.441 0.016 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001167270886 1168481839 /nfs/dbraw/zinc/48/18/39/1168481839.db2.gz DRCZZNKCLIIGET-HUUCEWRRSA-N 2 2 357.462 0.728 20 0 FCADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970458521 1168889311 /nfs/dbraw/zinc/88/93/11/1168889311.db2.gz AZWHTSVBFZCXHT-QGTPRVQTSA-N 2 2 358.486 0.514 20 0 FCADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970458521 1168889314 /nfs/dbraw/zinc/88/93/14/1168889314.db2.gz AZWHTSVBFZCXHT-QGTPRVQTSA-N 2 2 358.486 0.514 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2O)C1 ZINC000970649475 1169257935 /nfs/dbraw/zinc/25/79/35/1169257935.db2.gz RKEDPWOHJRRSHJ-JLZZUVOBSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2O)C1 ZINC000970649475 1169257947 /nfs/dbraw/zinc/25/79/47/1169257947.db2.gz RKEDPWOHJRRSHJ-JLZZUVOBSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@@H+]1C ZINC001021489488 1169463163 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/nfs/dbraw/zinc/57/40/23/1192574023.db2.gz VPFQROMLUJELCT-HOTGVXAUSA-N 2 2 361.446 0.901 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001272135254 1192574030 /nfs/dbraw/zinc/57/40/30/1192574030.db2.gz VPFQROMLUJELCT-HOTGVXAUSA-N 2 2 361.446 0.901 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000988950908 1192585935 /nfs/dbraw/zinc/58/59/35/1192585935.db2.gz XBKRFRLKMSSDLT-CJNGLKHVSA-N 2 2 352.398 0.950 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989021139 1192628276 /nfs/dbraw/zinc/62/82/76/1192628276.db2.gz MBJZJNCBZNZVDY-XUWXXGDYSA-N 2 2 359.474 0.932 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620623 1192639662 /nfs/dbraw/zinc/63/96/62/1192639662.db2.gz TXLZVMUSOKITMI-KFWWJZLASA-N 2 2 364.494 0.165 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620623 1192639669 /nfs/dbraw/zinc/63/96/69/1192639669.db2.gz TXLZVMUSOKITMI-KFWWJZLASA-N 2 2 364.494 0.165 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620623 1192639679 /nfs/dbraw/zinc/63/96/79/1192639679.db2.gz TXLZVMUSOKITMI-KFWWJZLASA-N 2 2 364.494 0.165 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620623 1192639686 /nfs/dbraw/zinc/63/96/86/1192639686.db2.gz TXLZVMUSOKITMI-KFWWJZLASA-N 2 2 364.494 0.165 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000519708889 1192800305 /nfs/dbraw/zinc/80/03/05/1192800305.db2.gz HXCKVMWJSQPUTG-INIZCTEOSA-N 2 2 357.462 0.144 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC000842056600 1192865091 /nfs/dbraw/zinc/86/50/91/1192865091.db2.gz AFAUVKBUXIXRLP-IBGZPJMESA-N 2 2 355.442 0.994 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000842056687 1192865109 /nfs/dbraw/zinc/86/51/09/1192865109.db2.gz CPGRXPJWWKUGPX-CVEARBPZSA-N 2 2 353.426 0.841 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548271 1192870054 /nfs/dbraw/zinc/87/00/54/1192870054.db2.gz ZYQUBHUKKKWLBS-PMPSAXMXSA-N 2 2 366.506 0.012 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548271 1192870055 /nfs/dbraw/zinc/87/00/55/1192870055.db2.gz ZYQUBHUKKKWLBS-PMPSAXMXSA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548271 1192870056 /nfs/dbraw/zinc/87/00/56/1192870056.db2.gz ZYQUBHUKKKWLBS-PMPSAXMXSA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548271 1192870059 /nfs/dbraw/zinc/87/00/59/1192870059.db2.gz ZYQUBHUKKKWLBS-PMPSAXMXSA-N 2 2 366.506 0.012 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1)C1CC1 ZINC001691558341 1192875505 /nfs/dbraw/zinc/87/55/05/1192875505.db2.gz VOFFLPWQYZPJPM-YYIAUSFCSA-N 2 2 371.485 0.820 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1)C1CC1 ZINC001691558341 1192875507 /nfs/dbraw/zinc/87/55/07/1192875507.db2.gz VOFFLPWQYZPJPM-YYIAUSFCSA-N 2 2 371.485 0.820 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000550636893 1192892178 /nfs/dbraw/zinc/89/21/78/1192892178.db2.gz YLOYQZOOLYBDSD-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267242037 1178967924 /nfs/dbraw/zinc/96/79/24/1178967924.db2.gz UOVLOBZYARGTIH-HUUCEWRRSA-N 2 2 364.494 0.743 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267242037 1178967947 /nfs/dbraw/zinc/96/79/47/1178967947.db2.gz UOVLOBZYARGTIH-HUUCEWRRSA-N 2 2 364.494 0.743 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267242037 1178967960 /nfs/dbraw/zinc/96/79/60/1178967960.db2.gz UOVLOBZYARGTIH-HUUCEWRRSA-N 2 2 364.494 0.743 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267242037 1178967981 /nfs/dbraw/zinc/96/79/81/1178967981.db2.gz UOVLOBZYARGTIH-HUUCEWRRSA-N 2 2 364.494 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001023377720 1179496323 /nfs/dbraw/zinc/49/63/23/1179496323.db2.gz UILJQDRTNFRDHW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001023377720 1179496332 /nfs/dbraw/zinc/49/63/32/1179496332.db2.gz UILJQDRTNFRDHW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001023377720 1179496352 /nfs/dbraw/zinc/49/63/52/1179496352.db2.gz UILJQDRTNFRDHW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001023377720 1179496361 /nfs/dbraw/zinc/49/63/61/1179496361.db2.gz UILJQDRTNFRDHW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001023380393 1179509496 /nfs/dbraw/zinc/50/94/96/1179509496.db2.gz XRLNITGSZLQSIF-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001023380393 1179509507 /nfs/dbraw/zinc/50/95/07/1179509507.db2.gz XRLNITGSZLQSIF-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001023380393 1179509515 /nfs/dbraw/zinc/50/95/15/1179509515.db2.gz XRLNITGSZLQSIF-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001023380393 1179509522 /nfs/dbraw/zinc/50/95/22/1179509522.db2.gz XRLNITGSZLQSIF-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001023427540 1179692208 /nfs/dbraw/zinc/69/22/08/1179692208.db2.gz LVNQGLZGFDDJRY-RRFJBIMHSA-N 2 2 360.462 0.367 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001023427540 1179692218 /nfs/dbraw/zinc/69/22/18/1179692218.db2.gz LVNQGLZGFDDJRY-RRFJBIMHSA-N 2 2 360.462 0.367 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023427540 1179692224 /nfs/dbraw/zinc/69/22/24/1179692224.db2.gz LVNQGLZGFDDJRY-RRFJBIMHSA-N 2 2 360.462 0.367 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023427540 1179692231 /nfs/dbraw/zinc/69/22/31/1179692231.db2.gz LVNQGLZGFDDJRY-RRFJBIMHSA-N 2 2 360.462 0.367 20 0 FCADLP CCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450540 1179752135 /nfs/dbraw/zinc/75/21/35/1179752135.db2.gz HBVQNTJHLBNFKP-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450540 1179752145 /nfs/dbraw/zinc/75/21/45/1179752145.db2.gz HBVQNTJHLBNFKP-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450540 1179752152 /nfs/dbraw/zinc/75/21/52/1179752152.db2.gz HBVQNTJHLBNFKP-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450540 1179752164 /nfs/dbraw/zinc/75/21/64/1179752164.db2.gz HBVQNTJHLBNFKP-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001023450413 1179752607 /nfs/dbraw/zinc/75/26/07/1179752607.db2.gz FUEZGDDRGDMCOQ-IJEWVQPXSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001023450413 1179752615 /nfs/dbraw/zinc/75/26/15/1179752615.db2.gz FUEZGDDRGDMCOQ-IJEWVQPXSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001023450413 1179752621 /nfs/dbraw/zinc/75/26/21/1179752621.db2.gz FUEZGDDRGDMCOQ-IJEWVQPXSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001023450413 1179752630 /nfs/dbraw/zinc/75/26/30/1179752630.db2.gz FUEZGDDRGDMCOQ-IJEWVQPXSA-N 2 2 366.462 0.731 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451868 1179760641 /nfs/dbraw/zinc/76/06/41/1179760641.db2.gz UPTMLGVKRPQWFR-SOLBZPMBSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451868 1179760648 /nfs/dbraw/zinc/76/06/48/1179760648.db2.gz UPTMLGVKRPQWFR-SOLBZPMBSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451868 1179760653 /nfs/dbraw/zinc/76/06/53/1179760653.db2.gz UPTMLGVKRPQWFR-SOLBZPMBSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451868 1179760660 /nfs/dbraw/zinc/76/06/60/1179760660.db2.gz UPTMLGVKRPQWFR-SOLBZPMBSA-N 2 2 361.490 0.832 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972587457 1179852998 /nfs/dbraw/zinc/85/29/98/1179852998.db2.gz FTIXUNYXKVTFRH-BZUAXINKSA-N 2 2 359.474 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972587457 1179852999 /nfs/dbraw/zinc/85/29/99/1179852999.db2.gz FTIXUNYXKVTFRH-BZUAXINKSA-N 2 2 359.474 0.886 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001083262399 1179904151 /nfs/dbraw/zinc/90/41/51/1179904151.db2.gz SREJPNBTYAHHLK-FGTMMUONSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001083262399 1179904162 /nfs/dbraw/zinc/90/41/62/1179904162.db2.gz SREJPNBTYAHHLK-FGTMMUONSA-N 2 2 362.474 0.833 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001691466244 1180094676 /nfs/dbraw/zinc/09/46/76/1180094676.db2.gz ZQIQVVCPZQMHNC-ZNMIVQPWSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001691466244 1180094683 /nfs/dbraw/zinc/09/46/83/1180094683.db2.gz ZQIQVVCPZQMHNC-ZNMIVQPWSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC(=O)NC(C)(C)C ZINC001691466244 1180094690 /nfs/dbraw/zinc/09/46/90/1180094690.db2.gz ZQIQVVCPZQMHNC-ZNMIVQPWSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(=O)NC(C)(C)C ZINC001691466244 1180094695 /nfs/dbraw/zinc/09/46/95/1180094695.db2.gz ZQIQVVCPZQMHNC-ZNMIVQPWSA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21)[NH+](C)C ZINC000972663651 1180210313 /nfs/dbraw/zinc/21/03/13/1180210313.db2.gz YCKCTRWIMODVOW-RKVPGOIHSA-N 2 2 361.490 0.988 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC000972664589 1180213350 /nfs/dbraw/zinc/21/33/50/1180213350.db2.gz JIAIFPNJHGQPTD-KYJSFNMBSA-N 2 2 361.490 0.906 20 0 FCADLP CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001067462360 1180228630 /nfs/dbraw/zinc/22/86/30/1180228630.db2.gz IUEQYIQFVBIPRL-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001067462360 1180228635 /nfs/dbraw/zinc/22/86/35/1180228635.db2.gz IUEQYIQFVBIPRL-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892475590 1181251225 /nfs/dbraw/zinc/25/12/25/1181251225.db2.gz ZUXRLCARWXSJRO-UHFFFAOYSA-N 2 2 370.461 0.561 20 0 FCADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)ncn1 ZINC001024505472 1181258922 /nfs/dbraw/zinc/25/89/22/1181258922.db2.gz DMSVAMNUTICITK-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP CCn1nncc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506593 1181262079 /nfs/dbraw/zinc/26/20/79/1181262079.db2.gz NYWOCBKNFDWCIY-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506593 1181262086 /nfs/dbraw/zinc/26/20/86/1181262086.db2.gz NYWOCBKNFDWCIY-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506593 1181262091 /nfs/dbraw/zinc/26/20/91/1181262091.db2.gz NYWOCBKNFDWCIY-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506593 1181262097 /nfs/dbraw/zinc/26/20/97/1181262097.db2.gz NYWOCBKNFDWCIY-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083273869 1181736646 /nfs/dbraw/zinc/73/66/46/1181736646.db2.gz LQLWGNSJGFICKF-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083273869 1181736654 /nfs/dbraw/zinc/73/66/54/1181736654.db2.gz LQLWGNSJGFICKF-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)cn1 ZINC001083273869 1181736661 /nfs/dbraw/zinc/73/66/61/1181736661.db2.gz LQLWGNSJGFICKF-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cn1 ZINC001083273869 1181736668 /nfs/dbraw/zinc/73/66/68/1181736668.db2.gz LQLWGNSJGFICKF-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274009 1181741098 /nfs/dbraw/zinc/74/10/98/1181741098.db2.gz RNPKCFKEMNDKMU-BHYGNILZSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274009 1181741103 /nfs/dbraw/zinc/74/11/03/1181741103.db2.gz RNPKCFKEMNDKMU-BHYGNILZSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083274009 1181741113 /nfs/dbraw/zinc/74/11/13/1181741113.db2.gz RNPKCFKEMNDKMU-BHYGNILZSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083274009 1181741122 /nfs/dbraw/zinc/74/11/22/1181741122.db2.gz RNPKCFKEMNDKMU-BHYGNILZSA-N 2 2 360.458 0.454 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083274891 1181774716 /nfs/dbraw/zinc/77/47/16/1181774716.db2.gz DZFUYKJLUCCQCS-YESZJQIVSA-N 2 2 364.490 0.003 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083274891 1181774721 /nfs/dbraw/zinc/77/47/21/1181774721.db2.gz DZFUYKJLUCCQCS-YESZJQIVSA-N 2 2 364.490 0.003 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275256 1181783057 /nfs/dbraw/zinc/78/30/57/1181783057.db2.gz VPTGRSBGIROZAI-QILLFSRXSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275256 1181783064 /nfs/dbraw/zinc/78/30/64/1181783064.db2.gz VPTGRSBGIROZAI-QILLFSRXSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275256 1181783070 /nfs/dbraw/zinc/78/30/70/1181783070.db2.gz VPTGRSBGIROZAI-QILLFSRXSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275256 1181783074 /nfs/dbraw/zinc/78/30/74/1181783074.db2.gz VPTGRSBGIROZAI-QILLFSRXSA-N 2 2 362.474 0.909 20 0 FCADLP Cc1cncc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000080080286 1181868350 /nfs/dbraw/zinc/86/83/50/1181868350.db2.gz XDURAWRXWALYMS-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001025090389 1181954368 /nfs/dbraw/zinc/95/43/68/1181954368.db2.gz HUDWDJOBNVPGMU-RBSFLKMASA-N 2 2 357.462 0.823 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104576920 1182106118 /nfs/dbraw/zinc/10/61/18/1182106118.db2.gz CZEBBKSELXOAJP-BFYDXBDKSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104576920 1182106122 /nfs/dbraw/zinc/10/61/22/1182106122.db2.gz CZEBBKSELXOAJP-BFYDXBDKSA-N 2 2 366.506 0.189 20 0 FCADLP COC[C@H](O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267603412 1182242223 /nfs/dbraw/zinc/24/22/23/1182242223.db2.gz QXFQXJWYERAZEX-BRWVUGGUSA-N 2 2 364.490 0.701 20 0 FCADLP COC[C@H](O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267603412 1182242228 /nfs/dbraw/zinc/24/22/28/1182242228.db2.gz QXFQXJWYERAZEX-BRWVUGGUSA-N 2 2 364.490 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001104732041 1182407880 /nfs/dbraw/zinc/40/78/80/1182407880.db2.gz KNBSPFNIRFEOQF-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001104732106 1182408320 /nfs/dbraw/zinc/40/83/20/1182408320.db2.gz OIVIJYFKZIKGDR-BFYDXBDKSA-N 2 2 360.462 0.284 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1OC ZINC000892750987 1182473576 /nfs/dbraw/zinc/47/35/76/1182473576.db2.gz OWZTUAIZVVPIBJ-FRQCXROJSA-N 2 2 362.474 0.902 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892762178 1182480816 /nfs/dbraw/zinc/48/08/16/1182480816.db2.gz FZJUTDNGXIDMOP-IXDOHACOSA-N 2 2 366.506 0.650 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815132 1182858946 /nfs/dbraw/zinc/85/89/46/1182858946.db2.gz BBBKIMGJXOYEGE-QYPXNLQLSA-N 2 2 357.458 0.569 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815132 1182858948 /nfs/dbraw/zinc/85/89/48/1182858948.db2.gz BBBKIMGJXOYEGE-QYPXNLQLSA-N 2 2 357.458 0.569 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815132 1182858952 /nfs/dbraw/zinc/85/89/52/1182858952.db2.gz BBBKIMGJXOYEGE-QYPXNLQLSA-N 2 2 357.458 0.569 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815132 1182858955 /nfs/dbraw/zinc/85/89/55/1182858955.db2.gz BBBKIMGJXOYEGE-QYPXNLQLSA-N 2 2 357.458 0.569 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001104775301 1182913314 /nfs/dbraw/zinc/91/33/14/1182913314.db2.gz DTRYXRSRSPOMJI-RBSFLKMASA-N 2 2 359.478 0.991 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001104775301 1182913329 /nfs/dbraw/zinc/91/33/29/1182913329.db2.gz DTRYXRSRSPOMJI-RBSFLKMASA-N 2 2 359.478 0.991 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(N)=O ZINC001104868397 1182966983 /nfs/dbraw/zinc/96/69/83/1182966983.db2.gz JHQZSQHKLZINQW-QLFBSQMISA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104908864 1182989137 /nfs/dbraw/zinc/98/91/37/1182989137.db2.gz NVIWQLKEYPSUKB-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104966898 1183025997 /nfs/dbraw/zinc/02/59/97/1183025997.db2.gz KBYQKCDUDAFYSW-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)CC[N@@H+]1C ZINC000974582509 1183361768 /nfs/dbraw/zinc/36/17/68/1183361768.db2.gz XUSUDEOIEUDYOJ-BZZMCLGOSA-N 2 2 373.501 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)CC[N@H+]1C ZINC000974582509 1183361775 /nfs/dbraw/zinc/36/17/75/1183361775.db2.gz XUSUDEOIEUDYOJ-BZZMCLGOSA-N 2 2 373.501 0.752 20 0 FCADLP CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000974584490 1183363740 /nfs/dbraw/zinc/36/37/40/1183363740.db2.gz QMTCEBCQOKZFHE-HUUCEWRRSA-N 2 2 371.485 0.842 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974591575 1183370069 /nfs/dbraw/zinc/37/00/69/1183370069.db2.gz NATOUXJGWKCCFP-BFYDXBDKSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974591575 1183370079 /nfs/dbraw/zinc/37/00/79/1183370079.db2.gz NATOUXJGWKCCFP-BFYDXBDKSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@H](CC(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)n1cc[nH+]c1 ZINC000974595511 1183373448 /nfs/dbraw/zinc/37/34/48/1183373448.db2.gz WSBOVFRLUZOHQZ-BRWVUGGUSA-N 2 2 371.485 0.989 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC000974628716 1183383186 /nfs/dbraw/zinc/38/31/86/1183383186.db2.gz USUQRVJQPRBFFG-BRWVUGGUSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC000974628716 1183383191 /nfs/dbraw/zinc/38/31/91/1183383191.db2.gz USUQRVJQPRBFFG-BRWVUGGUSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000974633029 1183396283 /nfs/dbraw/zinc/39/62/83/1183396283.db2.gz KSXNSZNQKRFTTR-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000974633029 1183396290 /nfs/dbraw/zinc/39/62/90/1183396290.db2.gz KSXNSZNQKRFTTR-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(=O)Nc1cnccn1 ZINC001268003337 1183446696 /nfs/dbraw/zinc/44/66/96/1183446696.db2.gz MLOVTQJLLBIQNY-MGPQQGTHSA-N 2 2 371.445 0.294 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000974696002 1183457999 /nfs/dbraw/zinc/45/79/99/1183457999.db2.gz CWGODLVEMMZWST-NVXWUHKLSA-N 2 2 371.485 0.948 20 0 FCADLP Cc1cc(C[NH+]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721552 1183497036 /nfs/dbraw/zinc/49/70/36/1183497036.db2.gz CCHSDFCIIUHALC-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[NH+]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721552 1183497042 /nfs/dbraw/zinc/49/70/42/1183497042.db2.gz CCHSDFCIIUHALC-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721552 1183497046 /nfs/dbraw/zinc/49/70/46/1183497046.db2.gz CCHSDFCIIUHALC-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721552 1183497050 /nfs/dbraw/zinc/49/70/50/1183497050.db2.gz CCHSDFCIIUHALC-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726749 1183506100 /nfs/dbraw/zinc/50/61/00/1183506100.db2.gz WHFOQGVFPVYSQN-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726749 1183506102 /nfs/dbraw/zinc/50/61/02/1183506102.db2.gz WHFOQGVFPVYSQN-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726749 1183506104 /nfs/dbraw/zinc/50/61/04/1183506104.db2.gz WHFOQGVFPVYSQN-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)CC2(C)C)O1 ZINC000974726749 1183506106 /nfs/dbraw/zinc/50/61/06/1183506106.db2.gz WHFOQGVFPVYSQN-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)CC2(C)C)O1 ZINC000974755648 1183519697 /nfs/dbraw/zinc/51/96/97/1183519697.db2.gz PHSBLWGVCSOAJR-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)CC2(C)C)O1 ZINC000974755648 1183519702 /nfs/dbraw/zinc/51/97/02/1183519702.db2.gz PHSBLWGVCSOAJR-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC2(C)C)O1 ZINC000974755648 1183519707 /nfs/dbraw/zinc/51/97/07/1183519707.db2.gz PHSBLWGVCSOAJR-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC2(C)C)O1 ZINC000974755648 1183519714 /nfs/dbraw/zinc/51/97/14/1183519714.db2.gz PHSBLWGVCSOAJR-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000975309674 1183822607 /nfs/dbraw/zinc/82/26/07/1183822607.db2.gz MJUJQMOJBGRXCI-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000975309674 1183822608 /nfs/dbraw/zinc/82/26/08/1183822608.db2.gz MJUJQMOJBGRXCI-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC000975620081 1183952540 /nfs/dbraw/zinc/95/25/40/1183952540.db2.gz KQFSNWSLWFLUFO-UAGQMJEPSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC000975620081 1183952548 /nfs/dbraw/zinc/95/25/48/1183952548.db2.gz KQFSNWSLWFLUFO-UAGQMJEPSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975822924 1185819326 /nfs/dbraw/zinc/81/93/26/1185819326.db2.gz YNISIUCMTOVOOI-RDJZCZTQSA-N 2 2 371.485 0.508 20 0 FCADLP O=C(NCc1ccc(CC[NH2+][C@@H]2CCNC2=O)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027255079 1185834797 /nfs/dbraw/zinc/83/47/97/1185834797.db2.gz ZXYDOQABTAXHAN-BRWVUGGUSA-N 2 2 367.453 0.850 20 0 FCADLP O=C(NCc1ccc(CC[NH2+][C@@H]2CCNC2=O)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027255079 1185834798 /nfs/dbraw/zinc/83/47/98/1185834798.db2.gz ZXYDOQABTAXHAN-BRWVUGGUSA-N 2 2 367.453 0.850 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975927313 1185851184 /nfs/dbraw/zinc/85/11/84/1185851184.db2.gz QJWCTLWUUJYLDE-JYJNAYRXSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975927313 1185851187 /nfs/dbraw/zinc/85/11/87/1185851187.db2.gz QJWCTLWUUJYLDE-JYJNAYRXSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975927314 1185851290 /nfs/dbraw/zinc/85/12/90/1185851290.db2.gz QJWCTLWUUJYLDE-PMPSAXMXSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975927314 1185851291 /nfs/dbraw/zinc/85/12/91/1185851291.db2.gz QJWCTLWUUJYLDE-PMPSAXMXSA-N 2 2 359.474 0.886 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087428190 1186174558 /nfs/dbraw/zinc/17/45/58/1186174558.db2.gz RFZZAADGUGENKA-CEXWTWQISA-N 2 2 370.497 0.788 20 0 FCADLP NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087428190 1186174561 /nfs/dbraw/zinc/17/45/61/1186174561.db2.gz RFZZAADGUGENKA-CEXWTWQISA-N 2 2 370.497 0.788 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000980576370 1186230189 /nfs/dbraw/zinc/23/01/89/1186230189.db2.gz LBGHCXOOTPKTHO-QCODTGAPSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000980576370 1186230194 /nfs/dbraw/zinc/23/01/94/1186230194.db2.gz LBGHCXOOTPKTHO-QCODTGAPSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NC2CCCC2)O1 ZINC001027965922 1186242764 /nfs/dbraw/zinc/24/27/64/1186242764.db2.gz IFZICJNLRPNJGY-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NC2CCCC2)O1 ZINC001027965922 1186242769 /nfs/dbraw/zinc/24/27/69/1186242769.db2.gz IFZICJNLRPNJGY-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CCCC2)O1 ZINC001027965922 1186242773 /nfs/dbraw/zinc/24/27/73/1186242773.db2.gz IFZICJNLRPNJGY-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CCCC2)O1 ZINC001027965922 1186242777 /nfs/dbraw/zinc/24/27/77/1186242777.db2.gz IFZICJNLRPNJGY-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3ccc(CO)cc3)CC2)O1 ZINC000981435400 1186417317 /nfs/dbraw/zinc/41/73/17/1186417317.db2.gz GZLOPYQVFGONOL-VQIMIIECSA-N 2 2 361.486 0.932 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](Cc3ccc(CO)cc3)CC2)O1 ZINC000981435400 1186417323 /nfs/dbraw/zinc/41/73/23/1186417323.db2.gz GZLOPYQVFGONOL-VQIMIIECSA-N 2 2 361.486 0.932 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(CO)cc3)CC2)O1 ZINC000981435400 1186417329 /nfs/dbraw/zinc/41/73/29/1186417329.db2.gz GZLOPYQVFGONOL-VQIMIIECSA-N 2 2 361.486 0.932 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(CO)cc3)CC2)O1 ZINC000981435400 1186417332 /nfs/dbraw/zinc/41/73/32/1186417332.db2.gz GZLOPYQVFGONOL-VQIMIIECSA-N 2 2 361.486 0.932 20 0 FCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667602 1186481163 /nfs/dbraw/zinc/48/11/63/1186481163.db2.gz SQPRJJRNSOSPGP-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667602 1186481166 /nfs/dbraw/zinc/48/11/66/1186481166.db2.gz SQPRJJRNSOSPGP-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001691501928 1186687024 /nfs/dbraw/zinc/68/70/24/1186687024.db2.gz IGIKKCAAZIHEMS-QLFBSQMISA-N 2 2 367.494 0.415 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001691501928 1186687028 /nfs/dbraw/zinc/68/70/28/1186687028.db2.gz IGIKKCAAZIHEMS-QLFBSQMISA-N 2 2 367.494 0.415 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713496 1186698669 /nfs/dbraw/zinc/69/86/69/1186698669.db2.gz NMFOVQDQCWDGFV-DOTOQJQBSA-N 2 2 355.442 0.591 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(C(=O)CC3CC3)CC2)CC[N@@H+]1C ZINC001745704545 1187486056 /nfs/dbraw/zinc/48/60/56/1187486056.db2.gz UCCDLGPRYCXVOK-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(C(=O)CC3CC3)CC2)CC[N@H+]1C ZINC001745704545 1187486057 /nfs/dbraw/zinc/48/60/57/1187486057.db2.gz UCCDLGPRYCXVOK-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441557 1187494414 /nfs/dbraw/zinc/49/44/14/1187494414.db2.gz NVILMHPHTZWRGD-KBAYOESNSA-N 2 2 358.486 0.788 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441557 1187494417 /nfs/dbraw/zinc/49/44/17/1187494417.db2.gz NVILMHPHTZWRGD-KBAYOESNSA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441557 1187494420 /nfs/dbraw/zinc/49/44/20/1187494420.db2.gz NVILMHPHTZWRGD-KBAYOESNSA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441557 1187494423 /nfs/dbraw/zinc/49/44/23/1187494423.db2.gz NVILMHPHTZWRGD-KBAYOESNSA-N 2 2 358.486 0.788 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211733646 1187534903 /nfs/dbraw/zinc/53/49/03/1187534903.db2.gz BHDZLPMUUSGBCO-DLBZAZTESA-N 2 2 355.442 0.733 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453740 1187548674 /nfs/dbraw/zinc/54/86/74/1187548674.db2.gz IOOPTARUFUTSNE-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453740 1187548678 /nfs/dbraw/zinc/54/86/78/1187548678.db2.gz IOOPTARUFUTSNE-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453740 1187548682 /nfs/dbraw/zinc/54/86/82/1187548682.db2.gz IOOPTARUFUTSNE-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2cccc(F)c2)C1 ZINC001087453740 1187548691 /nfs/dbraw/zinc/54/86/91/1187548691.db2.gz IOOPTARUFUTSNE-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643940 1187568639 /nfs/dbraw/zinc/56/86/39/1187568639.db2.gz QGNCPURLCHKALY-ARFHVFGLSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643940 1187568641 /nfs/dbraw/zinc/56/86/41/1187568641.db2.gz QGNCPURLCHKALY-ARFHVFGLSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643940 1187568644 /nfs/dbraw/zinc/56/86/44/1187568644.db2.gz QGNCPURLCHKALY-ARFHVFGLSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643940 1187568647 /nfs/dbraw/zinc/56/86/47/1187568647.db2.gz QGNCPURLCHKALY-ARFHVFGLSA-N 2 2 363.462 0.174 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644005 1187568662 /nfs/dbraw/zinc/56/86/62/1187568662.db2.gz RVIMTLZTSYRQCL-RCCFBDPRSA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644005 1187568665 /nfs/dbraw/zinc/56/86/65/1187568665.db2.gz RVIMTLZTSYRQCL-RCCFBDPRSA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644005 1187568668 /nfs/dbraw/zinc/56/86/68/1187568668.db2.gz RVIMTLZTSYRQCL-RCCFBDPRSA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644005 1187568671 /nfs/dbraw/zinc/56/86/71/1187568671.db2.gz RVIMTLZTSYRQCL-RCCFBDPRSA-N 2 2 361.490 0.309 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571990 1187584788 /nfs/dbraw/zinc/58/47/88/1187584788.db2.gz YKDGFEVOJFYSLS-OHHBCXFOSA-N 2 2 359.474 0.440 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571990 1187584795 /nfs/dbraw/zinc/58/47/95/1187584795.db2.gz YKDGFEVOJFYSLS-OHHBCXFOSA-N 2 2 359.474 0.440 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001028550590 1187602644 /nfs/dbraw/zinc/60/26/44/1187602644.db2.gz CZGNYAMXQRPPPU-SOUVJXGZSA-N 2 2 364.494 0.804 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001028550590 1187602646 /nfs/dbraw/zinc/60/26/46/1187602646.db2.gz CZGNYAMXQRPPPU-SOUVJXGZSA-N 2 2 364.494 0.804 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550590 1187602650 /nfs/dbraw/zinc/60/26/50/1187602650.db2.gz CZGNYAMXQRPPPU-SOUVJXGZSA-N 2 2 364.494 0.804 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550590 1187602655 /nfs/dbraw/zinc/60/26/55/1187602655.db2.gz CZGNYAMXQRPPPU-SOUVJXGZSA-N 2 2 364.494 0.804 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028545150 1187603646 /nfs/dbraw/zinc/60/36/46/1187603646.db2.gz BQCWJIZQMZAOPG-OWCLPIDISA-N 2 2 359.474 0.338 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028545150 1187603649 /nfs/dbraw/zinc/60/36/49/1187603649.db2.gz BQCWJIZQMZAOPG-OWCLPIDISA-N 2 2 359.474 0.338 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368366 1187690088 /nfs/dbraw/zinc/69/00/88/1187690088.db2.gz LAKUDRQURVHXEK-SQNIBIBYSA-N 2 2 354.454 0.990 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368366 1187690091 /nfs/dbraw/zinc/69/00/91/1187690091.db2.gz LAKUDRQURVHXEK-SQNIBIBYSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368366 1187690095 /nfs/dbraw/zinc/69/00/95/1187690095.db2.gz LAKUDRQURVHXEK-SQNIBIBYSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368366 1187690097 /nfs/dbraw/zinc/69/00/97/1187690097.db2.gz LAKUDRQURVHXEK-SQNIBIBYSA-N 2 2 354.454 0.990 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385175 1187712654 /nfs/dbraw/zinc/71/26/54/1187712654.db2.gz FYKSYONMJXXYHE-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385175 1187712657 /nfs/dbraw/zinc/71/26/57/1187712657.db2.gz FYKSYONMJXXYHE-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385175 1187712670 /nfs/dbraw/zinc/71/26/70/1187712670.db2.gz FYKSYONMJXXYHE-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385175 1187712673 /nfs/dbraw/zinc/71/26/73/1187712673.db2.gz FYKSYONMJXXYHE-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385174 1187713381 /nfs/dbraw/zinc/71/33/81/1187713381.db2.gz FYKSYONMJXXYHE-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385174 1187713385 /nfs/dbraw/zinc/71/33/85/1187713385.db2.gz FYKSYONMJXXYHE-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385174 1187713389 /nfs/dbraw/zinc/71/33/89/1187713389.db2.gz FYKSYONMJXXYHE-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]2O)C1 ZINC001083385174 1187713395 /nfs/dbraw/zinc/71/33/95/1187713395.db2.gz FYKSYONMJXXYHE-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629121 1187758009 /nfs/dbraw/zinc/75/80/09/1187758009.db2.gz GVYNJQKOLBUZEX-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629121 1187758011 /nfs/dbraw/zinc/75/80/11/1187758011.db2.gz GVYNJQKOLBUZEX-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629121 1187758012 /nfs/dbraw/zinc/75/80/12/1187758012.db2.gz GVYNJQKOLBUZEX-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629121 1187758015 /nfs/dbraw/zinc/75/80/15/1187758015.db2.gz GVYNJQKOLBUZEX-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001028810747 1187907471 /nfs/dbraw/zinc/90/74/71/1187907471.db2.gz CDIMAHTUFXUHPW-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028810747 1187907477 /nfs/dbraw/zinc/90/74/77/1187907477.db2.gz CDIMAHTUFXUHPW-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP C[C@H](C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)n1cc[nH+]c1 ZINC001270291612 1188083433 /nfs/dbraw/zinc/08/34/33/1188083433.db2.gz AZVLJFMNCDNXIJ-KDOFPFPSSA-N 2 2 361.446 0.373 20 0 FCADLP C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334009 1188099257 /nfs/dbraw/zinc/09/92/57/1188099257.db2.gz WHQYBLLREGQYLB-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP C[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334009 1188099260 /nfs/dbraw/zinc/09/92/60/1188099260.db2.gz WHQYBLLREGQYLB-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[C@@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491730 1188172981 /nfs/dbraw/zinc/17/29/81/1188172981.db2.gz XDMMVMRRIZJTLQ-HZPDHXFCSA-N 2 2 359.474 0.580 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[C@@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491730 1188172985 /nfs/dbraw/zinc/17/29/85/1188172985.db2.gz XDMMVMRRIZJTLQ-HZPDHXFCSA-N 2 2 359.474 0.580 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355844 1188342579 /nfs/dbraw/zinc/34/25/79/1188342579.db2.gz JCRITHBBQAELDQ-RDJZCZTQSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355844 1188342583 /nfs/dbraw/zinc/34/25/83/1188342583.db2.gz JCRITHBBQAELDQ-RDJZCZTQSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372105 1188342876 /nfs/dbraw/zinc/34/28/76/1188342876.db2.gz FUAAKDBEQFXVJH-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000550407832 1188354770 /nfs/dbraw/zinc/35/47/70/1188354770.db2.gz JIVLYWJPSLFCTM-KRWDZBQOSA-N 2 2 362.474 0.578 20 0 FCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691512185 1188384658 /nfs/dbraw/zinc/38/46/58/1188384658.db2.gz UXQXQASWAAPDPQ-TXTZMMAHSA-N 2 2 369.506 0.386 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983929129 1188399859 /nfs/dbraw/zinc/39/98/59/1188399859.db2.gz ZUEJTBNIYWSSSY-BTFPBAQTSA-N 2 2 355.446 0.777 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983929129 1188399861 /nfs/dbraw/zinc/39/98/61/1188399861.db2.gz ZUEJTBNIYWSSSY-BTFPBAQTSA-N 2 2 355.446 0.777 20 0 FCADLP CCCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984011379 1189369886 /nfs/dbraw/zinc/36/98/86/1189369886.db2.gz CMJZAYQXUNWMEF-KBUPBQIOSA-N 2 2 365.478 0.726 20 0 FCADLP CCCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984011379 1189369891 /nfs/dbraw/zinc/36/98/91/1189369891.db2.gz CMJZAYQXUNWMEF-KBUPBQIOSA-N 2 2 365.478 0.726 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(OC)nc1 ZINC001087529430 1189383913 /nfs/dbraw/zinc/38/39/13/1189383913.db2.gz GWGWFVSWVZNJAW-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(OC)nc1 ZINC001087529430 1189383917 /nfs/dbraw/zinc/38/39/17/1189383917.db2.gz GWGWFVSWVZNJAW-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(OC)nc1 ZINC001087529430 1189383923 /nfs/dbraw/zinc/38/39/23/1189383923.db2.gz GWGWFVSWVZNJAW-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(OC)nc1 ZINC001087529430 1189383930 /nfs/dbraw/zinc/38/39/30/1189383930.db2.gz GWGWFVSWVZNJAW-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCn1cncn1 ZINC001087630757 1189680522 /nfs/dbraw/zinc/68/05/22/1189680522.db2.gz WCJAYKWZYRKZAD-HRCADAONSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCn1cncn1 ZINC001087630757 1189680531 /nfs/dbraw/zinc/68/05/31/1189680531.db2.gz WCJAYKWZYRKZAD-HRCADAONSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001087700089 1189775877 /nfs/dbraw/zinc/77/58/77/1189775877.db2.gz AQQKAISPTHKNRP-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1ccn(C)n1 ZINC001087700089 1189775886 /nfs/dbraw/zinc/77/58/86/1189775886.db2.gz AQQKAISPTHKNRP-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1ccn(C)n1 ZINC001087700089 1189775904 /nfs/dbraw/zinc/77/59/04/1189775904.db2.gz AQQKAISPTHKNRP-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1ccn(C)n1 ZINC001087700089 1189775915 /nfs/dbraw/zinc/77/59/15/1189775915.db2.gz AQQKAISPTHKNRP-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1nonc1C ZINC001087700527 1189775985 /nfs/dbraw/zinc/77/59/85/1189775985.db2.gz OZOGUFHZAWGOJF-USXIJHARSA-N 2 2 365.478 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1nonc1C ZINC001087700527 1189775996 /nfs/dbraw/zinc/77/59/96/1189775996.db2.gz OZOGUFHZAWGOJF-USXIJHARSA-N 2 2 365.478 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1nonc1C ZINC001087700527 1189776009 /nfs/dbraw/zinc/77/60/09/1189776009.db2.gz OZOGUFHZAWGOJF-USXIJHARSA-N 2 2 365.478 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1nonc1C ZINC001087700527 1189776021 /nfs/dbraw/zinc/77/60/21/1189776021.db2.gz OZOGUFHZAWGOJF-USXIJHARSA-N 2 2 365.478 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)Nc1cnccn1 ZINC001087828270 1189841329 /nfs/dbraw/zinc/84/13/29/1189841329.db2.gz FTQGGEORSXNXLX-SOUVJXGZSA-N 2 2 360.462 0.336 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)Nc1cnccn1 ZINC001087828270 1189841330 /nfs/dbraw/zinc/84/13/30/1189841330.db2.gz FTQGGEORSXNXLX-SOUVJXGZSA-N 2 2 360.462 0.336 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)Nc1cnccn1 ZINC001087828270 1189841331 /nfs/dbraw/zinc/84/13/31/1189841331.db2.gz FTQGGEORSXNXLX-SOUVJXGZSA-N 2 2 360.462 0.336 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)Nc1cnccn1 ZINC001087828270 1189841332 /nfs/dbraw/zinc/84/13/32/1189841332.db2.gz FTQGGEORSXNXLX-SOUVJXGZSA-N 2 2 360.462 0.336 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001087828306 1189841497 /nfs/dbraw/zinc/84/14/97/1189841497.db2.gz HIZJUQSTGOJSKP-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001087828306 1189841498 /nfs/dbraw/zinc/84/14/98/1189841498.db2.gz HIZJUQSTGOJSKP-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001691523296 1189846158 /nfs/dbraw/zinc/84/61/58/1189846158.db2.gz CFRYOUXXHPXMCQ-RRCSTGOVSA-N 2 2 359.474 0.629 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908370 1189893884 /nfs/dbraw/zinc/89/38/84/1189893884.db2.gz ACQFDUOOCQEGNM-QLFBSQMISA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908370 1189893886 /nfs/dbraw/zinc/89/38/86/1189893886.db2.gz ACQFDUOOCQEGNM-QLFBSQMISA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908370 1189893891 /nfs/dbraw/zinc/89/38/91/1189893891.db2.gz ACQFDUOOCQEGNM-QLFBSQMISA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908370 1189893897 /nfs/dbraw/zinc/89/38/97/1189893897.db2.gz ACQFDUOOCQEGNM-QLFBSQMISA-N 2 2 362.478 0.510 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920274 1189903477 /nfs/dbraw/zinc/90/34/77/1189903477.db2.gz JOXDQAPLNHBBNU-VKJFTORMSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920274 1189903485 /nfs/dbraw/zinc/90/34/85/1189903485.db2.gz JOXDQAPLNHBBNU-VKJFTORMSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920274 1189903492 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1190204858 /nfs/dbraw/zinc/20/48/58/1190204858.db2.gz NJFMXZIIZJMCJJ-OAGGEKHMSA-N 2 2 361.490 0.841 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088009613 1190204865 /nfs/dbraw/zinc/20/48/65/1190204865.db2.gz NJFMXZIIZJMCJJ-OAGGEKHMSA-N 2 2 361.490 0.841 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)n1 ZINC001088026254 1190261332 /nfs/dbraw/zinc/26/13/32/1190261332.db2.gz ZLLRDTULBSMZAP-CVEARBPZSA-N 2 2 358.490 0.724 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]3C2)n1 ZINC001088026254 1190261338 /nfs/dbraw/zinc/26/13/38/1190261338.db2.gz ZLLRDTULBSMZAP-CVEARBPZSA-N 2 2 358.490 0.724 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001088109709 1190600831 /nfs/dbraw/zinc/60/08/31/1190600831.db2.gz UEKHDHRADAJCHL-PMPSAXMXSA-N 2 2 363.510 0.875 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001088109709 1190600835 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/nfs/dbraw/zinc/14/68/42/1224146842.db2.gz UUSNLYKAJVRCAF-JCGIZDLHSA-N 2 2 362.474 0.771 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@H]2C1 ZINC001218196696 1224146844 /nfs/dbraw/zinc/14/68/44/1224146844.db2.gz UUSNLYKAJVRCAF-JCGIZDLHSA-N 2 2 362.474 0.771 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@H]2C1 ZINC001218196696 1224146846 /nfs/dbraw/zinc/14/68/46/1224146846.db2.gz UUSNLYKAJVRCAF-JCGIZDLHSA-N 2 2 362.474 0.771 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584193 1193740661 /nfs/dbraw/zinc/74/06/61/1193740661.db2.gz ADPVITSEIREVDY-CVEARBPZSA-N 2 2 361.494 0.366 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584193 1193740663 /nfs/dbraw/zinc/74/06/63/1193740663.db2.gz ADPVITSEIREVDY-CVEARBPZSA-N 2 2 361.494 0.366 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550756821 1193761759 /nfs/dbraw/zinc/76/17/59/1193761759.db2.gz KSOYJHXPNJZMRJ-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CCc3[nH+]ccn3C)C2)C1=O ZINC001691609162 1193799886 /nfs/dbraw/zinc/79/98/86/1193799886.db2.gz AYBUZUMLJGIUPJ-XHSDSOJGSA-N 2 2 361.490 0.848 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000551038125 1193829729 /nfs/dbraw/zinc/82/97/29/1193829729.db2.gz SIDVUPZLVOXNOU-CQSZACIVSA-N 2 2 365.478 0.393 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000551350434 1193850931 /nfs/dbraw/zinc/85/09/31/1193850931.db2.gz PZOARXJKRFSEFW-UHFFFAOYSA-N 2 2 372.473 0.980 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558028 1224172857 /nfs/dbraw/zinc/17/28/57/1224172857.db2.gz QOZXSWXEDCWOEZ-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558028 1224172862 /nfs/dbraw/zinc/17/28/62/1224172862.db2.gz QOZXSWXEDCWOEZ-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655599 1193859946 /nfs/dbraw/zinc/85/99/46/1193859946.db2.gz JIEJUBDHZLFCEQ-RWQQGDIJSA-N 2 2 364.490 0.955 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001075965946 1193885480 /nfs/dbraw/zinc/88/54/80/1193885480.db2.gz JQSGXUWUBKPZFJ-GVDBMIGSSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075965946 1193885482 /nfs/dbraw/zinc/88/54/82/1193885482.db2.gz JQSGXUWUBKPZFJ-GVDBMIGSSA-N 2 2 354.458 0.875 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967961 1193886818 /nfs/dbraw/zinc/88/68/18/1193886818.db2.gz YHYDPXIXWSGRPP-JENIJYKNSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967961 1193886819 /nfs/dbraw/zinc/88/68/19/1193886819.db2.gz YHYDPXIXWSGRPP-JENIJYKNSA-N 2 2 368.485 0.954 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)c3ccc([C@@H](N)C[NH3+])cc3)cn2)CC1 ZINC001218579788 1224177017 /nfs/dbraw/zinc/17/70/17/1224177017.db2.gz LAGUBWWFEVPCSQ-INIZCTEOSA-N 2 2 355.446 0.439 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000553401769 1193995888 /nfs/dbraw/zinc/99/58/88/1193995888.db2.gz YTMHVASXVZTXDC-LMNJBCLMSA-N 2 2 373.497 0.945 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000553401769 1193995890 /nfs/dbraw/zinc/99/58/90/1193995890.db2.gz YTMHVASXVZTXDC-LMNJBCLMSA-N 2 2 373.497 0.945 20 0 FCADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@H]2C1 ZINC001218646044 1224188979 /nfs/dbraw/zinc/18/89/79/1224188979.db2.gz NPBSABZTHJIMRO-RBUKOAKNSA-N 2 2 361.486 0.719 20 0 FCADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@H]2C1 ZINC001218646044 1224188982 /nfs/dbraw/zinc/18/89/82/1224188982.db2.gz NPBSABZTHJIMRO-RBUKOAKNSA-N 2 2 361.486 0.719 20 0 FCADLP COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@H]2C1 ZINC001218646044 1224188986 /nfs/dbraw/zinc/18/89/86/1224188986.db2.gz NPBSABZTHJIMRO-RBUKOAKNSA-N 2 2 361.486 0.719 20 0 FCADLP COCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@H]2C1 ZINC001218646044 1224188992 /nfs/dbraw/zinc/18/89/92/1224188992.db2.gz NPBSABZTHJIMRO-RBUKOAKNSA-N 2 2 361.486 0.719 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815302 1194106897 /nfs/dbraw/zinc/10/68/97/1194106897.db2.gz ITAFQSFCWWXIDN-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815302 1194106900 /nfs/dbraw/zinc/10/69/00/1194106900.db2.gz ITAFQSFCWWXIDN-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815302 1194106903 /nfs/dbraw/zinc/10/69/03/1194106903.db2.gz ITAFQSFCWWXIDN-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815302 1194106908 /nfs/dbraw/zinc/10/69/08/1194106908.db2.gz ITAFQSFCWWXIDN-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815303 1194107546 /nfs/dbraw/zinc/10/75/46/1194107546.db2.gz ITAFQSFCWWXIDN-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815303 1194107548 /nfs/dbraw/zinc/10/75/48/1194107548.db2.gz ITAFQSFCWWXIDN-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815303 1194107550 /nfs/dbraw/zinc/10/75/50/1194107550.db2.gz ITAFQSFCWWXIDN-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815303 1194107552 /nfs/dbraw/zinc/10/75/52/1194107552.db2.gz ITAFQSFCWWXIDN-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP [NH3+][C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1Cc2ccccc2C1 ZINC001218668800 1224193488 /nfs/dbraw/zinc/19/34/88/1224193488.db2.gz IEYUJXZOVQFLAB-IBGZPJMESA-N 2 2 369.469 0.896 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218669619 1224193679 /nfs/dbraw/zinc/19/36/79/1224193679.db2.gz USFKULIRMNUJJD-MRXNPFEDSA-N 3 2 362.478 0.028 20 0 FCADLP Nc1cn(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708768 1224201138 /nfs/dbraw/zinc/20/11/38/1224201138.db2.gz HJIMNNSOVUKYGK-KRWDZBQOSA-N 3 2 372.448 0.746 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000899970688 1194229818 /nfs/dbraw/zinc/22/98/18/1194229818.db2.gz WYTGOWJDODQWJQ-DLBZAZTESA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000899970688 1194229822 /nfs/dbraw/zinc/22/98/22/1194229822.db2.gz WYTGOWJDODQWJQ-DLBZAZTESA-N 2 2 367.490 0.585 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCC([NH3+])CC3)nc2)CC[NH2+]1 ZINC001218723928 1224206519 /nfs/dbraw/zinc/20/65/19/1224206519.db2.gz AKZIYMYNDBNYFM-DOMZBBRYSA-N 2 2 361.446 0.489 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnc2cc(C3CCOCC3)nn2c1 ZINC001218735647 1224206798 /nfs/dbraw/zinc/20/67/98/1224206798.db2.gz FUFIXPZGOZKYKZ-HNNXBMFYSA-N 2 2 369.429 0.865 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001076179428 1194340046 /nfs/dbraw/zinc/34/00/46/1194340046.db2.gz FOCMCCVTVGTVAX-LZLYRXPVSA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001076179428 1194340050 /nfs/dbraw/zinc/34/00/50/1194340050.db2.gz FOCMCCVTVGTVAX-LZLYRXPVSA-N 2 2 371.485 0.519 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076260388 1194378216 /nfs/dbraw/zinc/37/82/16/1194378216.db2.gz HSBNIXDNYJGVNA-KLZNWCGWSA-N 2 2 357.458 0.289 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076260388 1194378218 /nfs/dbraw/zinc/37/82/18/1194378218.db2.gz HSBNIXDNYJGVNA-KLZNWCGWSA-N 2 2 357.458 0.289 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295798 1194387441 /nfs/dbraw/zinc/38/74/41/1194387441.db2.gz YLPZQFVKOVRROX-YQQAZPJKSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295798 1194387445 /nfs/dbraw/zinc/38/74/45/1194387445.db2.gz YLPZQFVKOVRROX-YQQAZPJKSA-N 2 2 359.474 0.886 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218797553 1224224116 /nfs/dbraw/zinc/22/41/16/1224224116.db2.gz FVXBVLQZCPEHPI-KZULUSFZSA-N 2 2 356.430 0.728 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576511 1194583595 /nfs/dbraw/zinc/58/35/95/1194583595.db2.gz OJWGBCWCBXVTJJ-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576511 1194583600 /nfs/dbraw/zinc/58/36/00/1194583600.db2.gz OJWGBCWCBXVTJJ-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594417 1194587199 /nfs/dbraw/zinc/58/71/99/1194587199.db2.gz NFBPRVYADYDPTJ-RCCFBDPRSA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594417 1194587201 /nfs/dbraw/zinc/58/72/01/1194587201.db2.gz NFBPRVYADYDPTJ-RCCFBDPRSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594417 1194587205 /nfs/dbraw/zinc/58/72/05/1194587205.db2.gz NFBPRVYADYDPTJ-RCCFBDPRSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594417 1194587209 /nfs/dbraw/zinc/58/72/09/1194587209.db2.gz NFBPRVYADYDPTJ-RCCFBDPRSA-N 2 2 359.474 0.538 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633569 1194606574 /nfs/dbraw/zinc/60/65/74/1194606574.db2.gz UWANHIMYKGLGOY-HRCADAONSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633569 1194606587 /nfs/dbraw/zinc/60/65/87/1194606587.db2.gz UWANHIMYKGLGOY-HRCADAONSA-N 2 2 359.474 0.815 20 0 FCADLP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805583 1195024672 /nfs/dbraw/zinc/02/46/72/1195024672.db2.gz NATGFCNRMYOTIB-OWCLPIDISA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805583 1195024677 /nfs/dbraw/zinc/02/46/77/1195024677.db2.gz NATGFCNRMYOTIB-OWCLPIDISA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805583 1195024680 /nfs/dbraw/zinc/02/46/80/1195024680.db2.gz NATGFCNRMYOTIB-OWCLPIDISA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805583 1195024685 /nfs/dbraw/zinc/02/46/85/1195024685.db2.gz NATGFCNRMYOTIB-OWCLPIDISA-N 2 2 363.458 0.330 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834154 1195042130 /nfs/dbraw/zinc/04/21/30/1195042130.db2.gz GOBUAGREEKHWQT-QRVBRYPASA-N 2 2 359.470 0.167 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834154 1195042135 /nfs/dbraw/zinc/04/21/35/1195042135.db2.gz GOBUAGREEKHWQT-QRVBRYPASA-N 2 2 359.470 0.167 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834154 1195042138 /nfs/dbraw/zinc/04/21/38/1195042138.db2.gz GOBUAGREEKHWQT-QRVBRYPASA-N 2 2 359.470 0.167 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834154 1195042141 /nfs/dbraw/zinc/04/21/41/1195042141.db2.gz GOBUAGREEKHWQT-QRVBRYPASA-N 2 2 359.470 0.167 20 0 FCADLP CCc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076838659 1195044378 /nfs/dbraw/zinc/04/43/78/1195044378.db2.gz HKGCDHMWKMBHKD-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076838659 1195044384 /nfs/dbraw/zinc/04/43/84/1195044384.db2.gz HKGCDHMWKMBHKD-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076838659 1195044387 /nfs/dbraw/zinc/04/43/87/1195044387.db2.gz HKGCDHMWKMBHKD-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076838659 1195044390 /nfs/dbraw/zinc/04/43/90/1195044390.db2.gz HKGCDHMWKMBHKD-QRVBRYPASA-N 2 2 361.486 0.283 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077002712 1195136872 /nfs/dbraw/zinc/13/68/72/1195136872.db2.gz DNAMYSAAKKSGSP-GVDBMIGSSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077002712 1195136877 /nfs/dbraw/zinc/13/68/77/1195136877.db2.gz DNAMYSAAKKSGSP-GVDBMIGSSA-N 2 2 362.474 0.549 20 0 FCADLP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218931106 1224262770 /nfs/dbraw/zinc/26/27/70/1224262770.db2.gz LLJXVURUDVQREK-UHFFFAOYSA-N 2 2 363.393 0.779 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023792 1195160230 /nfs/dbraw/zinc/16/02/30/1195160230.db2.gz SXWVLJWVCFZOSM-VDHUWJSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023792 1195160236 /nfs/dbraw/zinc/16/02/36/1195160236.db2.gz SXWVLJWVCFZOSM-VDHUWJSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023792 1195160242 /nfs/dbraw/zinc/16/02/42/1195160242.db2.gz SXWVLJWVCFZOSM-VDHUWJSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023792 1195160244 /nfs/dbraw/zinc/16/02/44/1195160244.db2.gz SXWVLJWVCFZOSM-VDHUWJSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563253 1195220386 /nfs/dbraw/zinc/22/03/86/1195220386.db2.gz GMGALUUJHXPPFU-SJORKVTESA-N 2 2 359.474 0.322 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563253 1195220390 /nfs/dbraw/zinc/22/03/90/1195220390.db2.gz GMGALUUJHXPPFU-SJORKVTESA-N 2 2 359.474 0.322 20 0 FCADLP Cc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566731 1195291641 /nfs/dbraw/zinc/29/16/41/1195291641.db2.gz YQRZVUCFUJEEAI-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566731 1195291646 /nfs/dbraw/zinc/29/16/46/1195291646.db2.gz YQRZVUCFUJEEAI-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566731 1195291649 /nfs/dbraw/zinc/29/16/49/1195291649.db2.gz YQRZVUCFUJEEAI-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566731 1195291654 /nfs/dbraw/zinc/29/16/54/1195291654.db2.gz YQRZVUCFUJEEAI-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cc(F)ccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077220932 1195329459 /nfs/dbraw/zinc/32/94/59/1195329459.db2.gz WMWQJQUBMFVFOX-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cc(F)ccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077220932 1195329464 /nfs/dbraw/zinc/32/94/64/1195329464.db2.gz WMWQJQUBMFVFOX-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220932 1195329469 /nfs/dbraw/zinc/32/94/69/1195329469.db2.gz WMWQJQUBMFVFOX-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220932 1195329473 /nfs/dbraw/zinc/32/94/73/1195329473.db2.gz WMWQJQUBMFVFOX-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1=O ZINC001077231347 1195334296 /nfs/dbraw/zinc/33/42/96/1195334296.db2.gz MXWQMFSIGCTNOE-IAGOWNOFSA-N 2 2 367.409 0.237 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1=O ZINC001077231347 1195334301 /nfs/dbraw/zinc/33/43/01/1195334301.db2.gz MXWQMFSIGCTNOE-IAGOWNOFSA-N 2 2 367.409 0.237 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001077232363 1195334819 /nfs/dbraw/zinc/33/48/19/1195334819.db2.gz JWIJCFMTCAXETK-HZPDHXFCSA-N 2 2 370.413 0.662 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001077232363 1195334828 /nfs/dbraw/zinc/33/48/28/1195334828.db2.gz JWIJCFMTCAXETK-HZPDHXFCSA-N 2 2 370.413 0.662 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001077237930 1195340060 /nfs/dbraw/zinc/34/00/60/1195340060.db2.gz VJIRVUYOIQSYFD-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001077237930 1195340064 /nfs/dbraw/zinc/34/00/64/1195340064.db2.gz VJIRVUYOIQSYFD-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001077237930 1195340068 /nfs/dbraw/zinc/34/00/68/1195340068.db2.gz VJIRVUYOIQSYFD-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965232 1224273895 /nfs/dbraw/zinc/27/38/95/1224273895.db2.gz HYRNBSWYJRHCOW-HRCADAONSA-N 2 2 366.506 0.155 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965232 1224273897 /nfs/dbraw/zinc/27/38/97/1224273897.db2.gz HYRNBSWYJRHCOW-HRCADAONSA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965232 1224273906 /nfs/dbraw/zinc/27/39/06/1224273906.db2.gz HYRNBSWYJRHCOW-HRCADAONSA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]32)C1 ZINC001218965232 1224273911 /nfs/dbraw/zinc/27/39/11/1224273911.db2.gz HYRNBSWYJRHCOW-HRCADAONSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001077233197 1195342384 /nfs/dbraw/zinc/34/23/84/1195342384.db2.gz OCFKLHQCGQDGJF-QZTJIDSGSA-N 2 2 368.441 0.851 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001077233197 1195342389 /nfs/dbraw/zinc/34/23/89/1195342389.db2.gz OCFKLHQCGQDGJF-QZTJIDSGSA-N 2 2 368.441 0.851 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236037 1195343594 /nfs/dbraw/zinc/34/35/94/1195343594.db2.gz CTDAKUBSBGUCMJ-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236037 1195343601 /nfs/dbraw/zinc/34/36/01/1195343601.db2.gz CTDAKUBSBGUCMJ-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236037 1195343607 /nfs/dbraw/zinc/34/36/07/1195343607.db2.gz CTDAKUBSBGUCMJ-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236037 1195343612 /nfs/dbraw/zinc/34/36/12/1195343612.db2.gz CTDAKUBSBGUCMJ-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077236016 1195343787 /nfs/dbraw/zinc/34/37/87/1195343787.db2.gz CDBUSFSLMGYEJX-IXDOHACOSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077236016 1195343793 /nfs/dbraw/zinc/34/37/93/1195343793.db2.gz CDBUSFSLMGYEJX-IXDOHACOSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077236016 1195343799 /nfs/dbraw/zinc/34/37/99/1195343799.db2.gz CDBUSFSLMGYEJX-IXDOHACOSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077236016 1195343805 /nfs/dbraw/zinc/34/38/05/1195343805.db2.gz CDBUSFSLMGYEJX-IXDOHACOSA-N 2 2 365.449 0.850 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001083570686 1195375010 /nfs/dbraw/zinc/37/50/10/1195375010.db2.gz JWIJCFMTCAXETK-CVEARBPZSA-N 2 2 370.413 0.662 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001083570686 1195375014 /nfs/dbraw/zinc/37/50/14/1195375014.db2.gz JWIJCFMTCAXETK-CVEARBPZSA-N 2 2 370.413 0.662 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573285 1195440018 /nfs/dbraw/zinc/44/00/18/1195440018.db2.gz DPAQBQJUDHGXRM-QRVBRYPASA-N 2 2 359.470 0.862 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573285 1195440023 /nfs/dbraw/zinc/44/00/23/1195440023.db2.gz DPAQBQJUDHGXRM-QRVBRYPASA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573285 1195440025 /nfs/dbraw/zinc/44/00/25/1195440025.db2.gz DPAQBQJUDHGXRM-QRVBRYPASA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573285 1195440027 /nfs/dbraw/zinc/44/00/27/1195440027.db2.gz DPAQBQJUDHGXRM-QRVBRYPASA-N 2 2 359.470 0.862 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001077392945 1195491083 /nfs/dbraw/zinc/49/10/83/1195491083.db2.gz YLHDXJDOOYOSFI-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001077392945 1195491088 /nfs/dbraw/zinc/49/10/88/1195491088.db2.gz YLHDXJDOOYOSFI-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)no1 ZINC000905446476 1195586132 /nfs/dbraw/zinc/58/61/32/1195586132.db2.gz HNNTZRUEHLEIRU-MRXNPFEDSA-N 2 2 365.478 0.698 20 0 FCADLP Cn1ccc(-n2cc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)nn2)n1 ZINC000906291974 1195622106 /nfs/dbraw/zinc/62/21/06/1195622106.db2.gz DNWFBEBOYPGNNB-UHFFFAOYSA-N 2 2 372.521 0.850 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219016969 1224294154 /nfs/dbraw/zinc/29/41/54/1224294154.db2.gz REDYHVKZPFJBKW-KRWDZBQOSA-N 2 2 355.442 0.526 20 0 FCADLP COc1cc(OC)nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906656452 1195642656 /nfs/dbraw/zinc/64/26/56/1195642656.db2.gz SAHDBUCMOPIGFK-AWEZNQCLSA-N 2 2 363.462 0.734 20 0 FCADLP COc1cc(OC)nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906656452 1195642659 /nfs/dbraw/zinc/64/26/59/1195642659.db2.gz SAHDBUCMOPIGFK-AWEZNQCLSA-N 2 2 363.462 0.734 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455402 1195696540 /nfs/dbraw/zinc/69/65/40/1195696540.db2.gz IEXCTXGALJKYJW-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455402 1195696548 /nfs/dbraw/zinc/69/65/48/1195696548.db2.gz IEXCTXGALJKYJW-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455402 1195696550 /nfs/dbraw/zinc/69/65/50/1195696550.db2.gz IEXCTXGALJKYJW-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455402 1195696554 /nfs/dbraw/zinc/69/65/54/1195696554.db2.gz IEXCTXGALJKYJW-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(N[C@@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123741 1195729378 /nfs/dbraw/zinc/72/93/78/1195729378.db2.gz ZJZLQUUJFAFKJX-GZOSKZMVSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123741 1195729387 /nfs/dbraw/zinc/72/93/87/1195729387.db2.gz ZJZLQUUJFAFKJX-GZOSKZMVSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000991123741 1195729388 /nfs/dbraw/zinc/72/93/88/1195729388.db2.gz ZJZLQUUJFAFKJX-GZOSKZMVSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000911033277 1195881822 /nfs/dbraw/zinc/88/18/22/1195881822.db2.gz YXYSTPXMJGREOG-GVDBMIGSSA-N 2 2 366.506 0.394 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1=O ZINC001083644788 1195934671 /nfs/dbraw/zinc/93/46/71/1195934671.db2.gz WBHFBZQXVWOZOY-ZACQAIPSSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1=O ZINC001083644788 1195934674 /nfs/dbraw/zinc/93/46/74/1195934674.db2.gz WBHFBZQXVWOZOY-ZACQAIPSSA-N 2 2 371.441 0.119 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363413 1196325281 /nfs/dbraw/zinc/32/52/81/1196325281.db2.gz XCRIIQIBFDEECI-JNNRSPCRSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363413 1196325287 /nfs/dbraw/zinc/32/52/87/1196325287.db2.gz XCRIIQIBFDEECI-JNNRSPCRSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363413 1196325292 /nfs/dbraw/zinc/32/52/92/1196325292.db2.gz XCRIIQIBFDEECI-JNNRSPCRSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363413 1196325297 /nfs/dbraw/zinc/32/52/97/1196325297.db2.gz XCRIIQIBFDEECI-JNNRSPCRSA-N 2 2 364.490 0.097 20 0 FCADLP Cn1cc([C@H]2CN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467571 1196437639 /nfs/dbraw/zinc/43/76/39/1196437639.db2.gz IXZNWTDVRBOGBP-UYAOXDASSA-N 2 2 369.469 0.530 20 0 FCADLP Cn1cc([C@H]2CN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467571 1196437647 /nfs/dbraw/zinc/43/76/47/1196437647.db2.gz IXZNWTDVRBOGBP-UYAOXDASSA-N 2 2 369.469 0.530 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000592551330 1196567816 /nfs/dbraw/zinc/56/78/16/1196567816.db2.gz LAXMNCZSNIVQOF-QGZVFWFLSA-N 2 2 356.426 0.837 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302802 1196811120 /nfs/dbraw/zinc/81/11/20/1196811120.db2.gz KMBSFNSKVAMTPV-IAGOWNOFSA-N 2 2 357.458 0.713 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302802 1196811123 /nfs/dbraw/zinc/81/11/23/1196811123.db2.gz KMBSFNSKVAMTPV-IAGOWNOFSA-N 2 2 357.458 0.713 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106061972 1196819891 /nfs/dbraw/zinc/81/98/91/1196819891.db2.gz PWDIXCIEQYRDQT-ZIAGYGMSSA-N 2 2 371.445 0.455 20 0 FCADLP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)C1CC1 ZINC001106068740 1196823177 /nfs/dbraw/zinc/82/31/77/1196823177.db2.gz NVERAYGEQHDVMO-IIAWOOMASA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CC(=O)N(C)C ZINC001088945225 1196844971 /nfs/dbraw/zinc/84/49/71/1196844971.db2.gz VNLQLPYGYZIIIW-CJNGLKHVSA-N 2 2 356.430 0.548 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CC(=O)N(C)C ZINC001088945225 1196844972 /nfs/dbraw/zinc/84/49/72/1196844972.db2.gz VNLQLPYGYZIIIW-CJNGLKHVSA-N 2 2 356.430 0.548 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2cncn2C)O1 ZINC001089192278 1197019824 /nfs/dbraw/zinc/01/98/24/1197019824.db2.gz SFSYXDGRBLMBKB-SOLBZPMBSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2cncn2C)O1 ZINC001089192278 1197019829 /nfs/dbraw/zinc/01/98/29/1197019829.db2.gz SFSYXDGRBLMBKB-SOLBZPMBSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2cncn2C)O1 ZINC001089192278 1197019835 /nfs/dbraw/zinc/01/98/35/1197019835.db2.gz SFSYXDGRBLMBKB-SOLBZPMBSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2cncn2C)O1 ZINC001089192278 1197019839 /nfs/dbraw/zinc/01/98/39/1197019839.db2.gz SFSYXDGRBLMBKB-SOLBZPMBSA-N 2 2 363.506 0.952 20 0 FCADLP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001272467636 1197102569 /nfs/dbraw/zinc/10/25/69/1197102569.db2.gz OWEAIAMWYIRVIF-RYQLBKOJSA-N 2 2 366.462 0.588 20 0 FCADLP O=CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001272472717 1197113646 /nfs/dbraw/zinc/11/36/46/1197113646.db2.gz GXEKNDJANVJKTO-KRWDZBQOSA-N 2 2 359.474 0.934 20 0 FCADLP O=CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001272472717 1197113650 /nfs/dbraw/zinc/11/36/50/1197113650.db2.gz GXEKNDJANVJKTO-KRWDZBQOSA-N 2 2 359.474 0.934 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000913736558 1197119484 /nfs/dbraw/zinc/11/94/84/1197119484.db2.gz RRUUTERLZDBTDS-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000913736558 1197119488 /nfs/dbraw/zinc/11/94/88/1197119488.db2.gz RRUUTERLZDBTDS-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000913736558 1197119495 /nfs/dbraw/zinc/11/94/95/1197119495.db2.gz RRUUTERLZDBTDS-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000913736558 1197119499 /nfs/dbraw/zinc/11/94/99/1197119499.db2.gz RRUUTERLZDBTDS-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236490 1224396140 /nfs/dbraw/zinc/39/61/40/1224396140.db2.gz VGASJMFBWHAIIG-QAPCUYQASA-N 3 2 360.506 0.303 20 0 FCADLP Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001106153318 1197312702 /nfs/dbraw/zinc/31/27/02/1197312702.db2.gz XHAWGHJXGKIFST-VHDGCEQUSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001106153318 1197312710 /nfs/dbraw/zinc/31/27/10/1197312710.db2.gz XHAWGHJXGKIFST-VHDGCEQUSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992851010 1197557653 /nfs/dbraw/zinc/55/76/53/1197557653.db2.gz IFGSVHNOHOLHLO-HNAYVOBHSA-N 2 2 370.457 0.854 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C1 ZINC000992934238 1197611553 /nfs/dbraw/zinc/61/15/53/1197611553.db2.gz KZJNTPTXDYVVCR-UHFFFAOYSA-N 2 2 370.457 0.704 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199289 1197649510 /nfs/dbraw/zinc/64/95/10/1197649510.db2.gz STRWOGDQPVVECR-ARFHVFGLSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199289 1197649527 /nfs/dbraw/zinc/64/95/27/1197649527.db2.gz STRWOGDQPVVECR-ARFHVFGLSA-N 2 2 366.462 0.353 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719828 1197653596 /nfs/dbraw/zinc/65/35/96/1197653596.db2.gz YJQKCKFICPAJCY-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719828 1197653597 /nfs/dbraw/zinc/65/35/97/1197653597.db2.gz YJQKCKFICPAJCY-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719828 1197653598 /nfs/dbraw/zinc/65/35/98/1197653598.db2.gz YJQKCKFICPAJCY-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719828 1197653599 /nfs/dbraw/zinc/65/35/99/1197653599.db2.gz YJQKCKFICPAJCY-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP CC1(C)c2ccc(NC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)cc2CNC1=O ZINC001219336725 1224432272 /nfs/dbraw/zinc/43/22/72/1224432272.db2.gz QCHUEKJZQRJNKT-MRXNPFEDSA-N 2 2 359.474 0.283 20 0 FCADLP COC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734271072 1197741510 /nfs/dbraw/zinc/74/15/10/1197741510.db2.gz CAFMBDXEBOXGQO-OAHLLOKOSA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734271072 1197741517 /nfs/dbraw/zinc/74/15/17/1197741517.db2.gz CAFMBDXEBOXGQO-OAHLLOKOSA-N 2 2 367.494 0.685 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1)N1CCC1 ZINC001085249582 1197747336 /nfs/dbraw/zinc/74/73/36/1197747336.db2.gz JRMKAFRHXFZPPV-BZUAXINKSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085250214 1197750161 /nfs/dbraw/zinc/75/01/61/1197750161.db2.gz KOCPDZDGNZEIPO-IAOVAPTHSA-N 2 2 357.462 0.791 20 0 FCADLP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224170 1197751099 /nfs/dbraw/zinc/75/10/99/1197751099.db2.gz TVIQEARUEMVUQL-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224170 1197751108 /nfs/dbraw/zinc/75/11/08/1197751108.db2.gz TVIQEARUEMVUQL-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224429 1197751261 /nfs/dbraw/zinc/75/12/61/1197751261.db2.gz XTKILJZKJGUROK-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224429 1197751265 /nfs/dbraw/zinc/75/12/65/1197751265.db2.gz XTKILJZKJGUROK-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001085253059 1197752049 /nfs/dbraw/zinc/75/20/49/1197752049.db2.gz VFMDWBPPHPALHY-ZIAGYGMSSA-N 2 2 361.450 0.696 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)n1 ZINC001085274991 1197782614 /nfs/dbraw/zinc/78/26/14/1197782614.db2.gz IWKRFTDQBGRSMG-HUUCEWRRSA-N 2 2 354.418 0.689 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CCC1 ZINC000993083233 1197805671 /nfs/dbraw/zinc/80/56/71/1197805671.db2.gz ZYZDLYOKMCDOOX-BEFAXECRSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CCC1 ZINC000993083233 1197805673 /nfs/dbraw/zinc/80/56/73/1197805673.db2.gz ZYZDLYOKMCDOOX-BEFAXECRSA-N 2 2 359.474 0.674 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200925 1197838751 /nfs/dbraw/zinc/83/87/51/1197838751.db2.gz HFCRRUFOJQIXBL-ZIAGYGMSSA-N 2 2 362.434 0.482 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200925 1197838757 /nfs/dbraw/zinc/83/87/57/1197838757.db2.gz HFCRRUFOJQIXBL-ZIAGYGMSSA-N 2 2 362.434 0.482 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106318576 1197864121 /nfs/dbraw/zinc/86/41/21/1197864121.db2.gz IAVWLMJKRVPKDJ-UKRRQHHQSA-N 2 2 370.457 0.886 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333309 1197868897 /nfs/dbraw/zinc/86/88/97/1197868897.db2.gz IPTULTQMKTXRFA-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342770 1197871112 /nfs/dbraw/zinc/87/11/12/1197871112.db2.gz CXKWUMXFKRADNK-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106344311 1197872779 /nfs/dbraw/zinc/87/27/79/1197872779.db2.gz RLYLRZCSVNZOTC-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085406813 1197873583 /nfs/dbraw/zinc/87/35/83/1197873583.db2.gz ZCLNHJQGFFNJPI-ZIAGYGMSSA-N 2 2 361.446 0.427 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993154548 1197896158 /nfs/dbraw/zinc/89/61/58/1197896158.db2.gz GSNPJGWRMRRABW-BEFAXECRSA-N 2 2 371.485 0.663 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993159202 1197908560 /nfs/dbraw/zinc/90/85/60/1197908560.db2.gz VOAHKONBBIMUCH-DOHHPOSVSA-N 2 2 373.501 0.610 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)CC[N@H+]1C ZINC000993159202 1197908563 /nfs/dbraw/zinc/90/85/63/1197908563.db2.gz VOAHKONBBIMUCH-DOHHPOSVSA-N 2 2 373.501 0.610 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993177844 1197942877 /nfs/dbraw/zinc/94/28/77/1197942877.db2.gz CAKCMLBMTJVORZ-TXPKVOOTSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993177844 1197942892 /nfs/dbraw/zinc/94/28/92/1197942892.db2.gz CAKCMLBMTJVORZ-TXPKVOOTSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993181959 1197960348 /nfs/dbraw/zinc/96/03/48/1197960348.db2.gz UAKFREWOFMQJHK-QFBILLFUSA-N 2 2 371.485 0.676 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)ccn1 ZINC001085670198 1197975629 /nfs/dbraw/zinc/97/56/29/1197975629.db2.gz RAJCUQJAAXUGSM-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)ccn1 ZINC001085670198 1197975650 /nfs/dbraw/zinc/97/56/50/1197975650.db2.gz RAJCUQJAAXUGSM-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccn1 ZINC001085670198 1197975667 /nfs/dbraw/zinc/97/56/67/1197975667.db2.gz RAJCUQJAAXUGSM-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccn1 ZINC001085670198 1197975680 /nfs/dbraw/zinc/97/56/80/1197975680.db2.gz RAJCUQJAAXUGSM-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669583 1197975930 /nfs/dbraw/zinc/97/59/30/1197975930.db2.gz CRYQHYUYVCDLNM-HYVNUMGLSA-N 2 2 362.474 0.137 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669583 1197975934 /nfs/dbraw/zinc/97/59/34/1197975934.db2.gz CRYQHYUYVCDLNM-HYVNUMGLSA-N 2 2 362.474 0.137 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669583 1197975937 /nfs/dbraw/zinc/97/59/37/1197975937.db2.gz CRYQHYUYVCDLNM-HYVNUMGLSA-N 2 2 362.474 0.137 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669583 1197975938 /nfs/dbraw/zinc/97/59/38/1197975938.db2.gz CRYQHYUYVCDLNM-HYVNUMGLSA-N 2 2 362.474 0.137 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411629 1224457762 /nfs/dbraw/zinc/45/77/62/1224457762.db2.gz QWDYUVXPKSCWKJ-FATMISGNSA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411629 1224457766 /nfs/dbraw/zinc/45/77/66/1224457766.db2.gz QWDYUVXPKSCWKJ-FATMISGNSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411629 1224457771 /nfs/dbraw/zinc/45/77/71/1224457771.db2.gz QWDYUVXPKSCWKJ-FATMISGNSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411629 1224457779 /nfs/dbraw/zinc/45/77/79/1224457779.db2.gz QWDYUVXPKSCWKJ-FATMISGNSA-N 2 2 359.470 0.582 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120656 1198182232 /nfs/dbraw/zinc/18/22/32/1198182232.db2.gz HSJHSRASSRWIKO-APIJFGDWSA-N 2 2 365.478 0.726 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120656 1198182245 /nfs/dbraw/zinc/18/22/45/1198182245.db2.gz HSJHSRASSRWIKO-APIJFGDWSA-N 2 2 365.478 0.726 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001086201159 1198248665 /nfs/dbraw/zinc/24/86/65/1198248665.db2.gz LSYZLXRHKAMDGB-YIDVYQOGSA-N 2 2 369.473 0.787 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086201236 1198250032 /nfs/dbraw/zinc/25/00/32/1198250032.db2.gz PDRVUVXAOILICO-QKPAOTATSA-N 2 2 359.474 0.630 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219453740 1224476160 /nfs/dbraw/zinc/47/61/60/1224476160.db2.gz NTCGYPOPNKTHKE-BFHYXJOUSA-N 2 2 366.368 0.975 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)c2)CC1 ZINC000746111580 1198966613 /nfs/dbraw/zinc/96/66/13/1198966613.db2.gz CMUIDCTUQPQAQD-UHFFFAOYSA-N 2 2 373.501 0.114 20 0 FCADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(NC(C)=O)cc1OC ZINC001169073125 1199044804 /nfs/dbraw/zinc/04/48/04/1199044804.db2.gz YXRWVSNQJVLCRV-LLVKDONJSA-N 2 2 362.386 0.488 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001169123100 1199045693 /nfs/dbraw/zinc/04/56/93/1199045693.db2.gz IZEQOSQKWHTLRF-IVSAIRAKSA-N 2 2 360.458 0.120 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001169123100 1199045701 /nfs/dbraw/zinc/04/57/01/1199045701.db2.gz IZEQOSQKWHTLRF-IVSAIRAKSA-N 2 2 360.458 0.120 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(CN3CC[NH+](C)CC3)ccc2OC)C[NH2+]1 ZINC001169137032 1199048566 /nfs/dbraw/zinc/04/85/66/1199048566.db2.gz RKLRAIKTGJDWQP-WBVHZDCISA-N 2 2 362.474 0.758 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)CO1 ZINC001169390789 1199063335 /nfs/dbraw/zinc/06/33/35/1199063335.db2.gz WCGAYOGDNJTEJM-HOTGVXAUSA-N 2 2 367.490 0.774 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CO1 ZINC001169390789 1199063339 /nfs/dbraw/zinc/06/33/39/1199063339.db2.gz WCGAYOGDNJTEJM-HOTGVXAUSA-N 2 2 367.490 0.774 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129334198 1199071095 /nfs/dbraw/zinc/07/10/95/1199071095.db2.gz WSIDMUCCCSBGES-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129334198 1199071099 /nfs/dbraw/zinc/07/10/99/1199071099.db2.gz WSIDMUCCCSBGES-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC(=O)N1CC[C@H]([NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)C1 ZINC001169548763 1199071793 /nfs/dbraw/zinc/07/17/93/1199071793.db2.gz HQEIZCOWHPIXRD-KRWDZBQOSA-N 2 2 361.490 0.910 20 0 FCADLP CC(=O)N1CC[C@H]([NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)C1 ZINC001169548763 1199071795 /nfs/dbraw/zinc/07/17/95/1199071795.db2.gz HQEIZCOWHPIXRD-KRWDZBQOSA-N 2 2 361.490 0.910 20 0 FCADLP CC(=O)N1CC[C@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)C1 ZINC001169548763 1199071800 /nfs/dbraw/zinc/07/18/00/1199071800.db2.gz HQEIZCOWHPIXRD-KRWDZBQOSA-N 2 2 361.490 0.910 20 0 FCADLP CC(=O)N1CC[C@H]([N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)C1 ZINC001169548763 1199071803 /nfs/dbraw/zinc/07/18/03/1199071803.db2.gz HQEIZCOWHPIXRD-KRWDZBQOSA-N 2 2 361.490 0.910 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129370397 1199129398 /nfs/dbraw/zinc/12/93/98/1199129398.db2.gz RPMBCWDZQNDNKF-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129370397 1199129403 /nfs/dbraw/zinc/12/94/03/1199129403.db2.gz RPMBCWDZQNDNKF-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129370397 1199129405 /nfs/dbraw/zinc/12/94/05/1199129405.db2.gz RPMBCWDZQNDNKF-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129370397 1199129410 /nfs/dbraw/zinc/12/94/10/1199129410.db2.gz RPMBCWDZQNDNKF-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219662407 1224547837 /nfs/dbraw/zinc/54/78/37/1224547837.db2.gz FFXDQMJKLDBVPT-IMJJTQAJSA-N 2 2 360.462 0.492 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219662407 1224547841 /nfs/dbraw/zinc/54/78/41/1224547841.db2.gz FFXDQMJKLDBVPT-IMJJTQAJSA-N 2 2 360.462 0.492 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001219665324 1224548515 /nfs/dbraw/zinc/54/85/15/1224548515.db2.gz GHUIWXMEWJQHPI-XHSDSOJGSA-N 2 2 368.478 0.221 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001219665324 1224548520 /nfs/dbraw/zinc/54/85/20/1224548520.db2.gz GHUIWXMEWJQHPI-XHSDSOJGSA-N 2 2 368.478 0.221 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129384799 1200088095 /nfs/dbraw/zinc/08/80/95/1200088095.db2.gz AZWXIPBKWUCXKM-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129384799 1200088107 /nfs/dbraw/zinc/08/81/07/1200088107.db2.gz AZWXIPBKWUCXKM-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001109223136 1200119224 /nfs/dbraw/zinc/11/92/24/1200119224.db2.gz NJCJVVQFYZQMDL-QPSCCSFWSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001109223136 1200119235 /nfs/dbraw/zinc/11/92/35/1200119235.db2.gz NJCJVVQFYZQMDL-QPSCCSFWSA-N 2 2 355.446 0.843 20 0 FCADLP C[C@H](CN(C)c1ncnc2c1C[N@H+](C)CC2)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001109284494 1200143653 /nfs/dbraw/zinc/14/36/53/1200143653.db2.gz SMMYAPAZOREBGU-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP C[C@H](CN(C)c1ncnc2c1C[N@@H+](C)CC2)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001109284494 1200143658 /nfs/dbraw/zinc/14/36/58/1200143658.db2.gz SMMYAPAZOREBGU-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP C[C@H](CN(C)c1ncnc2c1C[NH+](C)CC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001109284494 1200143660 /nfs/dbraw/zinc/14/36/60/1200143660.db2.gz SMMYAPAZOREBGU-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP C[C@H](CN(C)c1ncnc2c1C[NH+](C)CC2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001109284494 1200143663 /nfs/dbraw/zinc/14/36/63/1200143663.db2.gz SMMYAPAZOREBGU-RBSFLKMASA-N 2 2 360.506 0.746 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001109305037 1200160852 /nfs/dbraw/zinc/16/08/52/1200160852.db2.gz BXTBJHLHHLEZSB-ICUGJSFKSA-N 2 2 362.518 0.964 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@H+]1C ZINC001109305037 1200160858 /nfs/dbraw/zinc/16/08/58/1200160858.db2.gz BXTBJHLHHLEZSB-ICUGJSFKSA-N 2 2 362.518 0.964 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001109305037 1200160864 /nfs/dbraw/zinc/16/08/64/1200160864.db2.gz BXTBJHLHHLEZSB-ICUGJSFKSA-N 2 2 362.518 0.964 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001109305037 1200160866 /nfs/dbraw/zinc/16/08/66/1200160866.db2.gz BXTBJHLHHLEZSB-ICUGJSFKSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001109398279 1200243788 /nfs/dbraw/zinc/24/37/88/1200243788.db2.gz VBUSUFPQROMHDG-OWSLCNJRSA-N 2 2 371.489 0.432 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001109398279 1200243802 /nfs/dbraw/zinc/24/38/02/1200243802.db2.gz VBUSUFPQROMHDG-OWSLCNJRSA-N 2 2 371.489 0.432 20 0 FCADLP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400338 1200248515 /nfs/dbraw/zinc/24/85/15/1200248515.db2.gz BMRHZWGHYVIRGP-OWSLCNJRSA-N 2 2 363.506 0.961 20 0 FCADLP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400338 1200248524 /nfs/dbraw/zinc/24/85/24/1200248524.db2.gz BMRHZWGHYVIRGP-OWSLCNJRSA-N 2 2 363.506 0.961 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408065 1200256225 /nfs/dbraw/zinc/25/62/25/1200256225.db2.gz HGDLDQHYHBJPQR-RZFFKMDDSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408065 1200256230 /nfs/dbraw/zinc/25/62/30/1200256230.db2.gz HGDLDQHYHBJPQR-RZFFKMDDSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109408065 1200256237 /nfs/dbraw/zinc/25/62/37/1200256237.db2.gz HGDLDQHYHBJPQR-RZFFKMDDSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408065 1200256244 /nfs/dbraw/zinc/25/62/44/1200256244.db2.gz HGDLDQHYHBJPQR-RZFFKMDDSA-N 2 2 365.478 0.036 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442875 1200288111 /nfs/dbraw/zinc/28/81/11/1200288111.db2.gz KRAHSADRZGUFII-UHDSXZAQSA-N 2 2 366.506 0.294 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109442875 1200288117 /nfs/dbraw/zinc/28/81/17/1200288117.db2.gz KRAHSADRZGUFII-UHDSXZAQSA-N 2 2 366.506 0.294 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109442875 1200288123 /nfs/dbraw/zinc/28/81/23/1200288123.db2.gz KRAHSADRZGUFII-UHDSXZAQSA-N 2 2 366.506 0.294 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109442875 1200288128 /nfs/dbraw/zinc/28/81/28/1200288128.db2.gz KRAHSADRZGUFII-UHDSXZAQSA-N 2 2 366.506 0.294 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001109467007 1200305882 /nfs/dbraw/zinc/30/58/82/1200305882.db2.gz HUVOLRAVSGUAMJ-NCOADZHNSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001109467007 1200305892 /nfs/dbraw/zinc/30/58/92/1200305892.db2.gz HUVOLRAVSGUAMJ-NCOADZHNSA-N 2 2 362.474 0.830 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001109643320 1200435101 /nfs/dbraw/zinc/43/51/01/1200435101.db2.gz ASWKBOHGLIVVSO-JFMONLCZSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@H+]1C ZINC001109643320 1200435107 /nfs/dbraw/zinc/43/51/07/1200435107.db2.gz ASWKBOHGLIVVSO-JFMONLCZSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001109643320 1200435115 /nfs/dbraw/zinc/43/51/15/1200435115.db2.gz ASWKBOHGLIVVSO-JFMONLCZSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001109643320 1200435123 /nfs/dbraw/zinc/43/51/23/1200435123.db2.gz ASWKBOHGLIVVSO-JFMONLCZSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001109651286 1200443938 /nfs/dbraw/zinc/44/39/38/1200443938.db2.gz SMDAQVZAEHRGNN-ORQFMDKSSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001109651286 1200443943 /nfs/dbraw/zinc/44/39/43/1200443943.db2.gz SMDAQVZAEHRGNN-ORQFMDKSSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109653636 1200445517 /nfs/dbraw/zinc/44/55/17/1200445517.db2.gz ZZUSJQRGESSDQB-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109653636 1200445521 /nfs/dbraw/zinc/44/55/21/1200445521.db2.gz ZZUSJQRGESSDQB-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)CC1 ZINC001109671656 1200458664 /nfs/dbraw/zinc/45/86/64/1200458664.db2.gz VVCAPBKBRVTDMK-NJAFHUGGSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)CC1 ZINC001109671656 1200458671 /nfs/dbraw/zinc/45/86/71/1200458671.db2.gz VVCAPBKBRVTDMK-NJAFHUGGSA-N 2 2 374.485 0.959 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001109772989 1200515103 /nfs/dbraw/zinc/51/51/03/1200515103.db2.gz AUZDDHVXWVLWPG-WCVJEAGWSA-N 2 2 373.457 0.705 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001109772989 1200515105 /nfs/dbraw/zinc/51/51/05/1200515105.db2.gz AUZDDHVXWVLWPG-WCVJEAGWSA-N 2 2 373.457 0.705 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219800553 1224619372 /nfs/dbraw/zinc/61/93/72/1224619372.db2.gz RAVPKGUDTOMMLR-QYZOEREBSA-N 2 2 371.485 0.483 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219800553 1224619379 /nfs/dbraw/zinc/61/93/79/1224619379.db2.gz RAVPKGUDTOMMLR-QYZOEREBSA-N 2 2 371.485 0.483 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864782 1200575252 /nfs/dbraw/zinc/57/52/52/1200575252.db2.gz UJMRKLUZPHKGOP-XGUBFFRZSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864782 1200575255 /nfs/dbraw/zinc/57/52/55/1200575255.db2.gz UJMRKLUZPHKGOP-XGUBFFRZSA-N 2 2 367.494 0.284 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O ZINC001219799873 1224619536 /nfs/dbraw/zinc/61/95/36/1224619536.db2.gz AJCKXTXHQNZBNP-KURKYZTESA-N 2 2 361.490 0.475 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O ZINC001219799873 1224619540 /nfs/dbraw/zinc/61/95/40/1224619540.db2.gz AJCKXTXHQNZBNP-KURKYZTESA-N 2 2 361.490 0.475 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977262 1200660243 /nfs/dbraw/zinc/66/02/43/1200660243.db2.gz AJPAGZNGYBMIHX-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977262 1200660263 /nfs/dbraw/zinc/66/02/63/1200660263.db2.gz AJPAGZNGYBMIHX-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986279 1200677253 /nfs/dbraw/zinc/67/72/53/1200677253.db2.gz NLIPFTJISCKLSJ-WJNVRWDZSA-N 2 2 374.445 0.066 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986279 1200677258 /nfs/dbraw/zinc/67/72/58/1200677258.db2.gz NLIPFTJISCKLSJ-WJNVRWDZSA-N 2 2 374.445 0.066 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006045 1200692293 /nfs/dbraw/zinc/69/22/93/1200692293.db2.gz SHYREOKMOFXCFX-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110006045 1200692303 /nfs/dbraw/zinc/69/23/03/1200692303.db2.gz SHYREOKMOFXCFX-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NCC ZINC001110014662 1200704505 /nfs/dbraw/zinc/70/45/05/1200704505.db2.gz CNKXNOLBORGWAA-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NCC ZINC001110014662 1200704510 /nfs/dbraw/zinc/70/45/10/1200704510.db2.gz CNKXNOLBORGWAA-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC ZINC001110014662 1200704516 /nfs/dbraw/zinc/70/45/16/1200704516.db2.gz CNKXNOLBORGWAA-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC ZINC001110014662 1200704531 /nfs/dbraw/zinc/70/45/31/1200704531.db2.gz CNKXNOLBORGWAA-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001110053519 1200738745 /nfs/dbraw/zinc/73/87/45/1200738745.db2.gz JYZSKSBZINMWLC-IWCQGFGOSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001110053519 1200738747 /nfs/dbraw/zinc/73/87/47/1200738747.db2.gz JYZSKSBZINMWLC-IWCQGFGOSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O)C1CCC1 ZINC001219814146 1224630471 /nfs/dbraw/zinc/63/04/71/1224630471.db2.gz UZNFKRGFVGZDAT-MSOLQXFVSA-N 2 2 365.449 0.464 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O)C1CCC1 ZINC001219814146 1224630477 /nfs/dbraw/zinc/63/04/77/1224630477.db2.gz UZNFKRGFVGZDAT-MSOLQXFVSA-N 2 2 365.449 0.464 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)C1CCC1 ZINC001219814146 1224630481 /nfs/dbraw/zinc/63/04/81/1224630481.db2.gz UZNFKRGFVGZDAT-MSOLQXFVSA-N 2 2 365.449 0.464 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1)c1c[nH+]c[nH]1 ZINC001112563223 1200796288 /nfs/dbraw/zinc/79/62/88/1200796288.db2.gz LUDLSSNKESOJRZ-KXBFYZLASA-N 2 2 364.490 0.915 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112563037 1200796594 /nfs/dbraw/zinc/79/65/94/1200796594.db2.gz BUUPMHPQAKUJOH-YJBOKZPZSA-N 2 2 357.462 0.473 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112571559 1200803820 /nfs/dbraw/zinc/80/38/20/1200803820.db2.gz CAUQLQIUBFDECG-LPHOPBHVSA-N 2 2 371.489 0.863 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000786082730 1200821568 /nfs/dbraw/zinc/82/15/68/1200821568.db2.gz PBNAWBBRTDYAFG-AWEZNQCLSA-N 2 2 359.474 0.869 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000787485857 1200888672 /nfs/dbraw/zinc/88/86/72/1200888672.db2.gz RGBVMITXCNQRGR-OAHLLOKOSA-N 2 2 368.441 0.545 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000787485857 1200888676 /nfs/dbraw/zinc/88/86/76/1200888676.db2.gz RGBVMITXCNQRGR-OAHLLOKOSA-N 2 2 368.441 0.545 20 0 FCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000787938668 1200927273 /nfs/dbraw/zinc/92/72/73/1200927273.db2.gz GYPPCOPYCOEEKP-HNNXBMFYSA-N 2 2 364.490 0.811 20 0 FCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000787938668 1200927285 /nfs/dbraw/zinc/92/72/85/1200927285.db2.gz GYPPCOPYCOEEKP-HNNXBMFYSA-N 2 2 364.490 0.811 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001219830437 1224641960 /nfs/dbraw/zinc/64/19/60/1224641960.db2.gz WYOSWQPGGFVTKW-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001219830437 1224641964 /nfs/dbraw/zinc/64/19/64/1224641964.db2.gz WYOSWQPGGFVTKW-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)ccn1 ZINC001219830437 1224641970 /nfs/dbraw/zinc/64/19/70/1224641970.db2.gz WYOSWQPGGFVTKW-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)ccn1 ZINC001219830437 1224641974 /nfs/dbraw/zinc/64/19/74/1224641974.db2.gz WYOSWQPGGFVTKW-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000790273232 1201064998 /nfs/dbraw/zinc/06/49/98/1201064998.db2.gz CRKGYZBQSSBUTR-PMPSAXMXSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000790273232 1201065008 /nfs/dbraw/zinc/06/50/08/1201065008.db2.gz CRKGYZBQSSBUTR-PMPSAXMXSA-N 2 2 359.474 0.869 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001219842407 1224650370 /nfs/dbraw/zinc/65/03/70/1224650370.db2.gz POWUCXCTLFEMHD-RYRKJORJSA-N 2 2 363.506 0.395 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001219842407 1224650374 /nfs/dbraw/zinc/65/03/74/1224650374.db2.gz POWUCXCTLFEMHD-RYRKJORJSA-N 2 2 363.506 0.395 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599274 1201145748 /nfs/dbraw/zinc/14/57/48/1201145748.db2.gz GHHWKKDIGWVLES-BPQIPLTHSA-N 2 2 369.469 0.910 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599274 1201145752 /nfs/dbraw/zinc/14/57/52/1201145752.db2.gz GHHWKKDIGWVLES-BPQIPLTHSA-N 2 2 369.469 0.910 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000793700028 1201259082 /nfs/dbraw/zinc/25/90/82/1201259082.db2.gz OBYDHXWAHWVAQF-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620395 1201283424 /nfs/dbraw/zinc/28/34/24/1201283424.db2.gz OTIUCMDMQGDYPZ-DLBZAZTESA-N 2 2 356.470 0.412 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620395 1201283428 /nfs/dbraw/zinc/28/34/28/1201283428.db2.gz OTIUCMDMQGDYPZ-DLBZAZTESA-N 2 2 356.470 0.412 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O)[NH+](C)C ZINC001219869477 1224662932 /nfs/dbraw/zinc/66/29/32/1224662932.db2.gz NHUUJNJYNNHYQR-OAGGEKHMSA-N 2 2 363.458 0.459 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O)[NH+](C)C ZINC001219869477 1224662938 /nfs/dbraw/zinc/66/29/38/1224662938.db2.gz NHUUJNJYNNHYQR-OAGGEKHMSA-N 2 2 363.458 0.459 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102032 1201287782 /nfs/dbraw/zinc/28/77/82/1201287782.db2.gz PQYPQGCMUFBZLY-LMSBXDPUSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102032 1201287784 /nfs/dbraw/zinc/28/77/84/1201287784.db2.gz PQYPQGCMUFBZLY-LMSBXDPUSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110102032 1201287787 /nfs/dbraw/zinc/28/77/87/1201287787.db2.gz PQYPQGCMUFBZLY-LMSBXDPUSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110102032 1201287791 /nfs/dbraw/zinc/28/77/91/1201287791.db2.gz PQYPQGCMUFBZLY-LMSBXDPUSA-N 2 2 374.485 0.911 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461230 1201327976 /nfs/dbraw/zinc/32/79/76/1201327976.db2.gz SBFFZBQGADIMNO-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461230 1201327980 /nfs/dbraw/zinc/32/79/80/1201327980.db2.gz SBFFZBQGADIMNO-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461230 1201327982 /nfs/dbraw/zinc/32/79/82/1201327982.db2.gz SBFFZBQGADIMNO-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461230 1201327985 /nfs/dbraw/zinc/32/79/85/1201327985.db2.gz SBFFZBQGADIMNO-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623527 1201349197 /nfs/dbraw/zinc/34/91/97/1201349197.db2.gz JQQQVOZEZSBDBO-FGTMMUONSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623527 1201349203 /nfs/dbraw/zinc/34/92/03/1201349203.db2.gz JQQQVOZEZSBDBO-FGTMMUONSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086623527 1201349208 /nfs/dbraw/zinc/34/92/08/1201349208.db2.gz JQQQVOZEZSBDBO-FGTMMUONSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086623527 1201349213 /nfs/dbraw/zinc/34/92/13/1201349213.db2.gz JQQQVOZEZSBDBO-FGTMMUONSA-N 2 2 368.485 0.851 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624088 1201359463 /nfs/dbraw/zinc/35/94/63/1201359463.db2.gz MRGHTEZEHVVRBX-JCGIZDLHSA-N 2 2 369.469 0.910 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624088 1201359469 /nfs/dbraw/zinc/35/94/69/1201359469.db2.gz MRGHTEZEHVVRBX-JCGIZDLHSA-N 2 2 369.469 0.910 20 0 FCADLP O=C(NCC[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891695 1201415077 /nfs/dbraw/zinc/41/50/77/1201415077.db2.gz RJJNCYSAGQKJJF-HUUCEWRRSA-N 2 2 366.425 0.629 20 0 FCADLP O=C(NCC[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891695 1201415080 /nfs/dbraw/zinc/41/50/80/1201415080.db2.gz RJJNCYSAGQKJJF-HUUCEWRRSA-N 2 2 366.425 0.629 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129910207 1201422593 /nfs/dbraw/zinc/42/25/93/1201422593.db2.gz IHHYKQXRQBJDLN-CVEARBPZSA-N 2 2 355.402 0.192 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917432 1201427957 /nfs/dbraw/zinc/42/79/57/1201427957.db2.gz SEUJPJFBFIXMPU-XHSDSOJGSA-N 2 2 357.462 0.879 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCc1ccccc1 ZINC001129900840 1201433946 /nfs/dbraw/zinc/43/39/46/1201433946.db2.gz LFMDGTWSALSECE-NUEKZKHPSA-N 2 2 355.442 0.924 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896711 1224673118 /nfs/dbraw/zinc/67/31/18/1224673118.db2.gz GAAFMOOKQWUYBC-KFWWJZLASA-N 2 2 370.538 0.571 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896711 1224673120 /nfs/dbraw/zinc/67/31/20/1224673120.db2.gz GAAFMOOKQWUYBC-KFWWJZLASA-N 2 2 370.538 0.571 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896711 1224673122 /nfs/dbraw/zinc/67/31/22/1224673122.db2.gz GAAFMOOKQWUYBC-KFWWJZLASA-N 2 2 370.538 0.571 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896711 1224673125 /nfs/dbraw/zinc/67/31/25/1224673125.db2.gz GAAFMOOKQWUYBC-KFWWJZLASA-N 2 2 370.538 0.571 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158845 1201519284 /nfs/dbraw/zinc/51/92/84/1201519284.db2.gz UWWHLSXDPKPDBP-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919725 1224680526 /nfs/dbraw/zinc/68/05/26/1224680526.db2.gz KQRYNCKEKQGBFV-OLMNPRSZSA-N 2 2 370.457 0.620 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919725 1224680528 /nfs/dbraw/zinc/68/05/28/1224680528.db2.gz KQRYNCKEKQGBFV-OLMNPRSZSA-N 2 2 370.457 0.620 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130215699 1201546308 /nfs/dbraw/zinc/54/63/08/1201546308.db2.gz CFVWNTWWNYPOME-DZKIICNBSA-N 2 2 366.510 0.879 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2([NH+](C)C)CCC2)n[nH]1 ZINC001130221114 1201550725 /nfs/dbraw/zinc/55/07/25/1201550725.db2.gz VLECJPKLYAVVJZ-KBPBESRZSA-N 2 2 364.494 0.777 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2([NH+](C)C)CCC2)n[nH]1 ZINC001130221074 1201550893 /nfs/dbraw/zinc/55/08/93/1201550893.db2.gz SKVZASWCTORFRQ-KBPBESRZSA-N 2 2 364.494 0.776 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130238082 1201561291 /nfs/dbraw/zinc/56/12/91/1201561291.db2.gz SLHISKZUAWOEEP-IHRRRGAJSA-N 2 2 368.457 0.194 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130238082 1201561297 /nfs/dbraw/zinc/56/12/97/1201561297.db2.gz SLHISKZUAWOEEP-IHRRRGAJSA-N 2 2 368.457 0.194 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130238082 1201561299 /nfs/dbraw/zinc/56/12/99/1201561299.db2.gz SLHISKZUAWOEEP-IHRRRGAJSA-N 2 2 368.457 0.194 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130238082 1201561303 /nfs/dbraw/zinc/56/13/03/1201561303.db2.gz SLHISKZUAWOEEP-IHRRRGAJSA-N 2 2 368.457 0.194 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130683037 1202755681 /nfs/dbraw/zinc/75/56/81/1202755681.db2.gz VMBHOMGXBBXWBU-HLLBOEOZSA-N 2 2 360.462 0.798 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001130695498 1202757449 /nfs/dbraw/zinc/75/74/49/1202757449.db2.gz WLQZBCDUWOKCOT-GOEBONIOSA-N 2 2 361.450 0.229 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130712634 1202759729 /nfs/dbraw/zinc/75/97/29/1202759729.db2.gz DZENWWGRIJSSCS-DZGCQCFKSA-N 2 2 360.462 0.651 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001130708554 1202763493 /nfs/dbraw/zinc/76/34/93/1202763493.db2.gz XYXGDQJWLSYZCK-DOTOQJQBSA-N 2 2 371.489 0.636 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001130708554 1202763495 /nfs/dbraw/zinc/76/34/95/1202763495.db2.gz XYXGDQJWLSYZCK-DOTOQJQBSA-N 2 2 371.489 0.636 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001130736811 1202769582 /nfs/dbraw/zinc/76/95/82/1202769582.db2.gz OZZZZHOXUSYETQ-DOTOQJQBSA-N 2 2 371.489 0.635 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001130736811 1202769586 /nfs/dbraw/zinc/76/95/86/1202769586.db2.gz OZZZZHOXUSYETQ-DOTOQJQBSA-N 2 2 371.489 0.635 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739843 1202771729 /nfs/dbraw/zinc/77/17/29/1202771729.db2.gz QPLZIAQZPOWBNA-DOTOQJQBSA-N 2 2 360.462 0.627 20 0 FCADLP CCOC(=O)C1=C(Nc2cc(C(=O)N3CC[NH+](C)CC3)ccn2)CC[NH2+]C1 ZINC001170513334 1202783946 /nfs/dbraw/zinc/78/39/46/1202783946.db2.gz IWELTIGTQVZEDT-UHFFFAOYSA-N 2 2 373.457 0.692 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130817610 1202808669 /nfs/dbraw/zinc/80/86/69/1202808669.db2.gz WBNTVENLGFPKRX-UONOGXRCSA-N 2 2 368.457 0.686 20 0 FCADLP Cc1noc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2c[nH+]cn2C)n1 ZINC001131062019 1202854245 /nfs/dbraw/zinc/85/42/45/1202854245.db2.gz RQYAPANISMTJRG-ZIAGYGMSSA-N 2 2 361.450 0.147 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079028 1202859827 /nfs/dbraw/zinc/85/98/27/1202859827.db2.gz AUCJCNSAZKXADT-NUEKZKHPSA-N 2 2 360.462 0.431 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103091 1202872531 /nfs/dbraw/zinc/87/25/31/1202872531.db2.gz DDACRLIEVARPBD-KBXIAJHMSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103091 1202872534 /nfs/dbraw/zinc/87/25/34/1202872534.db2.gz DDACRLIEVARPBD-KBXIAJHMSA-N 2 2 365.478 0.038 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001086659713 1202872819 /nfs/dbraw/zinc/87/28/19/1202872819.db2.gz HZUQMXKCHPYFKQ-ZNMIVQPWSA-N 2 2 363.510 0.897 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001086659713 1202872820 /nfs/dbraw/zinc/87/28/20/1202872820.db2.gz HZUQMXKCHPYFKQ-ZNMIVQPWSA-N 2 2 363.510 0.897 20 0 FCADLP Cn1cnc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000808388458 1202880718 /nfs/dbraw/zinc/88/07/18/1202880718.db2.gz HTZGTDKERYWUPF-HNNXBMFYSA-N 2 2 357.462 0.805 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086665024 1202887488 /nfs/dbraw/zinc/88/74/88/1202887488.db2.gz NPGRZMIBINIMGQ-ZNMIVQPWSA-N 2 2 365.478 0.898 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086665024 1202887491 /nfs/dbraw/zinc/88/74/91/1202887491.db2.gz NPGRZMIBINIMGQ-ZNMIVQPWSA-N 2 2 365.478 0.898 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131585125 1202918000 /nfs/dbraw/zinc/91/80/00/1202918000.db2.gz OEONVGLUHKCRLA-MRRJBJDNSA-N 2 2 363.462 0.072 20 0 FCADLP Cc1noc(C)c1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610652 1202921180 /nfs/dbraw/zinc/92/11/80/1202921180.db2.gz BCQLESUKBFFCMX-WBVHZDCISA-N 2 2 366.462 0.377 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1cnccn1 ZINC001131613734 1202921802 /nfs/dbraw/zinc/92/18/02/1202921802.db2.gz LUXFJRIDQTXEAM-INMHGKMJSA-N 2 2 363.462 0.123 20 0 FCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000813324181 1202992916 /nfs/dbraw/zinc/99/29/16/1202992916.db2.gz HDJSVSRSGDGKIR-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)on1 ZINC001134045464 1203010734 /nfs/dbraw/zinc/01/07/34/1203010734.db2.gz HJAMDWFJVBXDDQ-YNEHKIRRSA-N 2 2 360.418 0.553 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001134043334 1203010808 /nfs/dbraw/zinc/01/08/08/1203010808.db2.gz XPQVXEWHUIVDBS-USXIJHARSA-N 2 2 358.442 0.669 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Nc1ncccn1 ZINC001134049879 1203011239 /nfs/dbraw/zinc/01/12/39/1203011239.db2.gz SHYWVRDQANVZNO-JHJVBQTASA-N 2 2 357.418 0.047 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001134046299 1203011699 /nfs/dbraw/zinc/01/16/99/1203011699.db2.gz XZEPELCOIJGIBI-FVQBIDKESA-N 2 2 362.430 0.400 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000815871690 1203054974 /nfs/dbraw/zinc/05/49/74/1203054974.db2.gz SGPQMRYFYQDIHQ-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000815871690 1203054975 /nfs/dbraw/zinc/05/49/75/1203054975.db2.gz SGPQMRYFYQDIHQ-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC001086737394 1203063390 /nfs/dbraw/zinc/06/33/90/1203063390.db2.gz IBBKKPVUBPHXMO-ARFHVFGLSA-N 2 2 371.489 0.989 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001086737394 1203063392 /nfs/dbraw/zinc/06/33/92/1203063392.db2.gz IBBKKPVUBPHXMO-ARFHVFGLSA-N 2 2 371.489 0.989 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220105988 1224765380 /nfs/dbraw/zinc/76/53/80/1224765380.db2.gz VOHFDWYTHXNXKW-MSOLQXFVSA-N 2 2 358.442 0.686 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220105988 1224765386 /nfs/dbraw/zinc/76/53/86/1224765386.db2.gz VOHFDWYTHXNXKW-MSOLQXFVSA-N 2 2 358.442 0.686 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cn1 ZINC000817426451 1203106219 /nfs/dbraw/zinc/10/62/19/1203106219.db2.gz BAEQFCUIFBWCAS-MRXNPFEDSA-N 2 2 370.457 0.745 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)cn1 ZINC000817426451 1203106221 /nfs/dbraw/zinc/10/62/21/1203106221.db2.gz BAEQFCUIFBWCAS-MRXNPFEDSA-N 2 2 370.457 0.745 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1C ZINC001220105585 1224766240 /nfs/dbraw/zinc/76/62/40/1224766240.db2.gz BRELFUJBKBJXLG-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1C ZINC001220105585 1224766243 /nfs/dbraw/zinc/76/62/43/1224766243.db2.gz BRELFUJBKBJXLG-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC001136660158 1203247482 /nfs/dbraw/zinc/24/74/82/1203247482.db2.gz FFCKGXFSGUUHEG-UHFFFAOYSA-N 2 2 359.478 0.402 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220197406 1224799350 /nfs/dbraw/zinc/79/93/50/1224799350.db2.gz BMJQTEFZIBHDFS-DYESRHJHSA-N 2 2 370.497 0.693 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216703 1224805249 /nfs/dbraw/zinc/80/52/49/1224805249.db2.gz UWROGHWUPNRZGF-SQNIBIBYSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216703 1224805255 /nfs/dbraw/zinc/80/52/55/1224805255.db2.gz UWROGHWUPNRZGF-SQNIBIBYSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216703 1224805257 /nfs/dbraw/zinc/80/52/57/1224805257.db2.gz UWROGHWUPNRZGF-SQNIBIBYSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216703 1224805260 /nfs/dbraw/zinc/80/52/60/1224805260.db2.gz UWROGHWUPNRZGF-SQNIBIBYSA-N 2 2 371.522 0.320 20 0 FCADLP COC(=O)[C@]1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228339 1224809684 /nfs/dbraw/zinc/80/96/84/1224809684.db2.gz JLTIQKOVGJHUCK-FQEVSTJZSA-N 3 2 374.485 0.262 20 0 FCADLP COC(=O)[C@]1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228339 1224809685 /nfs/dbraw/zinc/80/96/85/1224809685.db2.gz JLTIQKOVGJHUCK-FQEVSTJZSA-N 3 2 374.485 0.262 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220228906 1224810078 /nfs/dbraw/zinc/81/00/78/1224810078.db2.gz CMLXNRXAGHHLEY-CVEARBPZSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220228906 1224810081 /nfs/dbraw/zinc/81/00/81/1224810081.db2.gz CMLXNRXAGHHLEY-CVEARBPZSA-N 2 2 365.449 0.837 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001220228958 1224810545 /nfs/dbraw/zinc/81/05/45/1224810545.db2.gz GEQLXIGFLSENGR-IKGGRYGDSA-N 2 2 365.449 0.362 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001220228958 1224810549 /nfs/dbraw/zinc/81/05/49/1224810549.db2.gz GEQLXIGFLSENGR-IKGGRYGDSA-N 2 2 365.449 0.362 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268785 1224817620 /nfs/dbraw/zinc/81/76/20/1224817620.db2.gz IJPWYJZEJPNGKF-OIISXLGYSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268785 1224817621 /nfs/dbraw/zinc/81/76/21/1224817621.db2.gz IJPWYJZEJPNGKF-OIISXLGYSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[C@@H](O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001144172785 1204429076 /nfs/dbraw/zinc/42/90/76/1204429076.db2.gz JEPRMVMQVLFLKH-MRXNPFEDSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)C[C@@H](O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001144172785 1204429080 /nfs/dbraw/zinc/42/90/80/1204429080.db2.gz JEPRMVMQVLFLKH-MRXNPFEDSA-N 2 2 368.522 0.090 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091194650 1204597730 /nfs/dbraw/zinc/59/77/30/1204597730.db2.gz CBSUQWVEJXTWDU-ZACQAIPSSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091194650 1204597734 /nfs/dbraw/zinc/59/77/34/1204597734.db2.gz CBSUQWVEJXTWDU-ZACQAIPSSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565573 1204725409 /nfs/dbraw/zinc/72/54/09/1204725409.db2.gz QSCZJRHMCOGVFW-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565573 1204725415 /nfs/dbraw/zinc/72/54/15/1204725415.db2.gz QSCZJRHMCOGVFW-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565573 1204725420 /nfs/dbraw/zinc/72/54/20/1204725420.db2.gz QSCZJRHMCOGVFW-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565573 1204725423 /nfs/dbraw/zinc/72/54/23/1204725423.db2.gz QSCZJRHMCOGVFW-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(C)(C)C)C3)O1 ZINC001147773772 1204806765 /nfs/dbraw/zinc/80/67/65/1204806765.db2.gz MTZLDFNFJDQAQR-HUUCEWRRSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NC(C)(C)C)C3)O1 ZINC001147773772 1204806767 /nfs/dbraw/zinc/80/67/67/1204806767.db2.gz MTZLDFNFJDQAQR-HUUCEWRRSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NC(C)(C)C)C3)O1 ZINC001147773772 1204806768 /nfs/dbraw/zinc/80/67/68/1204806768.db2.gz MTZLDFNFJDQAQR-HUUCEWRRSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NC(C)(C)C)C3)O1 ZINC001147773772 1204806769 /nfs/dbraw/zinc/80/67/69/1204806769.db2.gz MTZLDFNFJDQAQR-HUUCEWRRSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4C[N@@H+]([C@H](C)C(N)=O)C[C@@]4(C)C3)ccn12 ZINC001091670588 1204815651 /nfs/dbraw/zinc/81/56/51/1204815651.db2.gz WPEYMVJUIUCSEW-MUKKUYKPSA-N 2 2 355.442 0.910 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4C[N@H+]([C@H](C)C(N)=O)C[C@@]4(C)C3)ccn12 ZINC001091670588 1204815654 /nfs/dbraw/zinc/81/56/54/1204815654.db2.gz WPEYMVJUIUCSEW-MUKKUYKPSA-N 2 2 355.442 0.910 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCOCC3)nn2)cc1 ZINC001220392139 1224854747 /nfs/dbraw/zinc/85/47/47/1224854747.db2.gz XATRGNCKOOEVBJ-INIZCTEOSA-N 2 2 356.430 0.202 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754173 1204844401 /nfs/dbraw/zinc/84/44/01/1204844401.db2.gz HKWZMSMEMRIPRL-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754173 1204844403 /nfs/dbraw/zinc/84/44/03/1204844403.db2.gz HKWZMSMEMRIPRL-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754173 1204844406 /nfs/dbraw/zinc/84/44/06/1204844406.db2.gz HKWZMSMEMRIPRL-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754173 1204844407 /nfs/dbraw/zinc/84/44/07/1204844407.db2.gz HKWZMSMEMRIPRL-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1)C(N)=O ZINC001086851827 1204848152 /nfs/dbraw/zinc/84/81/52/1204848152.db2.gz ZCLDSCWITOBSGP-HZSPNIEDSA-N 2 2 356.430 0.629 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001086971106 1204870728 /nfs/dbraw/zinc/87/07/28/1204870728.db2.gz XRHOFFNZPUUNJN-GVDBMIGSSA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001086971106 1204870729 /nfs/dbraw/zinc/87/07/29/1204870729.db2.gz XRHOFFNZPUUNJN-GVDBMIGSSA-N 2 2 369.473 0.389 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001086997125 1204887583 /nfs/dbraw/zinc/88/75/83/1204887583.db2.gz MIESXJKWGLQLSJ-BBWFWOEESA-N 2 2 371.489 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001087087969 1204976486 /nfs/dbraw/zinc/97/64/86/1204976486.db2.gz DALPVFHSCOOUAJ-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087088011 1204976850 /nfs/dbraw/zinc/97/68/50/1204976850.db2.gz GGATWLLJLAUTMI-RHSMWYFYSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087088313 1204977272 /nfs/dbraw/zinc/97/72/72/1204977272.db2.gz SPOIJHZKTLENFN-TZMCWYRMSA-N 2 2 362.434 0.551 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001087093827 1204986377 /nfs/dbraw/zinc/98/63/77/1204986377.db2.gz FHBQXHZROSIHBZ-TZMCWYRMSA-N 2 2 363.418 0.602 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001087103937 1205002349 /nfs/dbraw/zinc/00/23/49/1205002349.db2.gz IFKHNIMWFBFQTN-BPLDGKMQSA-N 2 2 361.450 0.524 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087097075 1205005434 /nfs/dbraw/zinc/00/54/34/1205005434.db2.gz UQYBFAJHNGTKJG-MGPQQGTHSA-N 2 2 363.462 0.029 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001091785424 1205011790 /nfs/dbraw/zinc/01/17/90/1205011790.db2.gz BUNRCMSVCOEDCZ-AZOIQLNYSA-N 2 2 353.426 0.845 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091785424 1205011794 /nfs/dbraw/zinc/01/17/94/1205011794.db2.gz BUNRCMSVCOEDCZ-AZOIQLNYSA-N 2 2 353.426 0.845 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798343 1205017337 /nfs/dbraw/zinc/01/73/37/1205017337.db2.gz VBKIGBUVTLWNSF-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798343 1205017338 /nfs/dbraw/zinc/01/73/38/1205017338.db2.gz VBKIGBUVTLWNSF-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001091857573 1205053203 /nfs/dbraw/zinc/05/32/03/1205053203.db2.gz MXGCKOZHODXJAV-VBQJREDUSA-N 2 2 358.450 0.257 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001091857573 1205053208 /nfs/dbraw/zinc/05/32/08/1205053208.db2.gz MXGCKOZHODXJAV-VBQJREDUSA-N 2 2 358.450 0.257 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091954019 1205089309 /nfs/dbraw/zinc/08/93/09/1205089309.db2.gz XZMMPQHACGHIDT-AFIMGQEJSA-N 2 2 361.494 0.221 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091954019 1205089316 /nfs/dbraw/zinc/08/93/16/1205089316.db2.gz XZMMPQHACGHIDT-AFIMGQEJSA-N 2 2 361.494 0.221 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091954019 1205089319 /nfs/dbraw/zinc/08/93/19/1205089319.db2.gz XZMMPQHACGHIDT-AFIMGQEJSA-N 2 2 361.494 0.221 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091954019 1205089320 /nfs/dbraw/zinc/08/93/20/1205089320.db2.gz XZMMPQHACGHIDT-AFIMGQEJSA-N 2 2 361.494 0.221 20 0 FCADLP CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001220432171 1224870447 /nfs/dbraw/zinc/87/04/47/1224870447.db2.gz ZLMJZZLWGIGWGR-JKSUJKDBSA-N 2 2 363.458 0.616 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](Cc4nncn4C)C[C@@]3(C)C2)CC1 ZINC001092130427 1205169863 /nfs/dbraw/zinc/16/98/63/1205169863.db2.gz VQEQWWHPTLCOIR-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](Cc4nncn4C)C[C@@]3(C)C2)CC1 ZINC001092130427 1205169867 /nfs/dbraw/zinc/16/98/67/1205169867.db2.gz VQEQWWHPTLCOIR-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092199179 1205194649 /nfs/dbraw/zinc/19/46/49/1205194649.db2.gz HBIIMEAEXXDMNW-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092199179 1205194657 /nfs/dbraw/zinc/19/46/57/1205194657.db2.gz HBIIMEAEXXDMNW-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092229458 1205203493 /nfs/dbraw/zinc/20/34/93/1205203493.db2.gz QRWBBVNSWXXECQ-BEFAXECRSA-N 2 2 359.474 0.663 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092229458 1205203498 /nfs/dbraw/zinc/20/34/98/1205203498.db2.gz QRWBBVNSWXXECQ-BEFAXECRSA-N 2 2 359.474 0.663 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220444105 1224874421 /nfs/dbraw/zinc/87/44/21/1224874421.db2.gz IMUIMUDJGMIZAB-SJORKVTESA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220444105 1224874427 /nfs/dbraw/zinc/87/44/27/1224874427.db2.gz IMUIMUDJGMIZAB-SJORKVTESA-N 2 2 364.490 0.985 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275910 1205223480 /nfs/dbraw/zinc/22/34/80/1205223480.db2.gz WIRMQAJIZIODLV-KDOFPFPSSA-N 2 2 362.478 0.512 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092275910 1205223484 /nfs/dbraw/zinc/22/34/84/1205223484.db2.gz WIRMQAJIZIODLV-KDOFPFPSSA-N 2 2 362.478 0.512 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001092276214 1205223891 /nfs/dbraw/zinc/22/38/91/1205223891.db2.gz HATSPYDFTDSBFC-DAYGRLMNSA-N 2 2 363.462 0.318 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001092276214 1205223894 /nfs/dbraw/zinc/22/38/94/1205223894.db2.gz HATSPYDFTDSBFC-DAYGRLMNSA-N 2 2 363.462 0.318 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1nccnc1F ZINC001092314779 1205243890 /nfs/dbraw/zinc/24/38/90/1205243890.db2.gz RBISHVNOLWRCDI-CHWSQXEVSA-N 2 2 361.425 0.707 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291986 1205255544 /nfs/dbraw/zinc/25/55/44/1205255544.db2.gz MNBQCSITXVQVAZ-GJYPPUQNSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291986 1205255549 /nfs/dbraw/zinc/25/55/49/1205255549.db2.gz MNBQCSITXVQVAZ-GJYPPUQNSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291986 1205255551 /nfs/dbraw/zinc/25/55/51/1205255551.db2.gz MNBQCSITXVQVAZ-GJYPPUQNSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nccn4C)C[C@@]3(C)C2)C1 ZINC001092291986 1205255557 /nfs/dbraw/zinc/25/55/57/1205255557.db2.gz MNBQCSITXVQVAZ-GJYPPUQNSA-N 2 2 361.490 0.421 20 0 FCADLP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]([NH3+])CC[NH3+])nc3ccc(C)cc3n12 ZINC001220456208 1224878018 /nfs/dbraw/zinc/87/80/18/1224878018.db2.gz HEPOXDFCWWPXRA-ZDUSSCGKSA-N 3 2 355.446 0.467 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523109 1205302485 /nfs/dbraw/zinc/30/24/85/1205302485.db2.gz AQIHEXMTRGNZDV-IIDMSEBBSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523109 1205302487 /nfs/dbraw/zinc/30/24/87/1205302487.db2.gz AQIHEXMTRGNZDV-IIDMSEBBSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092523109 1205302489 /nfs/dbraw/zinc/30/24/89/1205302489.db2.gz AQIHEXMTRGNZDV-IIDMSEBBSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092523109 1205302492 /nfs/dbraw/zinc/30/24/92/1205302492.db2.gz AQIHEXMTRGNZDV-IIDMSEBBSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]2C)CC[NH+]1C ZINC001092620337 1205330195 /nfs/dbraw/zinc/33/01/95/1205330195.db2.gz CMFCYKAZXMAQHV-IXYNUQLISA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]2C)CC[NH+]1C ZINC001092620337 1205330196 /nfs/dbraw/zinc/33/01/96/1205330196.db2.gz CMFCYKAZXMAQHV-IXYNUQLISA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C3CC3)C[C@H]2C)CC[N@@H+]1C ZINC001092620337 1205330197 /nfs/dbraw/zinc/33/01/97/1205330197.db2.gz CMFCYKAZXMAQHV-IXYNUQLISA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C3CC3)C[C@H]2C)CC[N@H+]1C ZINC001092620337 1205330200 /nfs/dbraw/zinc/33/02/00/1205330200.db2.gz CMFCYKAZXMAQHV-IXYNUQLISA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001092673079 1205335915 /nfs/dbraw/zinc/33/59/15/1205335915.db2.gz RZNQZPOHLAAYEO-HUUCEWRRSA-N 2 2 360.506 0.923 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001092673079 1205335917 /nfs/dbraw/zinc/33/59/17/1205335917.db2.gz RZNQZPOHLAAYEO-HUUCEWRRSA-N 2 2 360.506 0.923 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675099 1205336520 /nfs/dbraw/zinc/33/65/20/1205336520.db2.gz DYBFDZDVGLCDMD-IIAWOOMASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675099 1205336522 /nfs/dbraw/zinc/33/65/22/1205336522.db2.gz DYBFDZDVGLCDMD-IIAWOOMASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753643 1205351421 /nfs/dbraw/zinc/35/14/21/1205351421.db2.gz PSJSCGHBBGUBIL-IOASZLSFSA-N 2 2 363.462 0.313 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753643 1205351424 /nfs/dbraw/zinc/35/14/24/1205351424.db2.gz PSJSCGHBBGUBIL-IOASZLSFSA-N 2 2 363.462 0.313 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753799 1205351853 /nfs/dbraw/zinc/35/18/53/1205351853.db2.gz WPLZVADTKMDPLD-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753799 1205351858 /nfs/dbraw/zinc/35/18/58/1205351858.db2.gz WPLZVADTKMDPLD-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911823 1205940499 /nfs/dbraw/zinc/94/04/99/1205940499.db2.gz ZOFQKEABMAJVKD-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911823 1205940501 /nfs/dbraw/zinc/94/05/01/1205940501.db2.gz ZOFQKEABMAJVKD-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911823 1205940502 /nfs/dbraw/zinc/94/05/02/1205940502.db2.gz ZOFQKEABMAJVKD-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911823 1205940503 /nfs/dbraw/zinc/94/05/03/1205940503.db2.gz ZOFQKEABMAJVKD-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935142 1205962397 /nfs/dbraw/zinc/96/23/97/1205962397.db2.gz RSFZFAQGDILMIY-UKRRQHHQSA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935142 1205962399 /nfs/dbraw/zinc/96/23/99/1205962399.db2.gz RSFZFAQGDILMIY-UKRRQHHQSA-N 2 2 361.494 0.534 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001093024850 1205986512 /nfs/dbraw/zinc/98/65/12/1205986512.db2.gz GQFNTSHMXMEQJE-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001093024850 1205986513 /nfs/dbraw/zinc/98/65/13/1205986513.db2.gz GQFNTSHMXMEQJE-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001093024850 1205986514 /nfs/dbraw/zinc/98/65/14/1205986514.db2.gz GQFNTSHMXMEQJE-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001093024850 1205986516 /nfs/dbraw/zinc/98/65/16/1205986516.db2.gz GQFNTSHMXMEQJE-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102857 1206018035 /nfs/dbraw/zinc/01/80/35/1206018035.db2.gz PJNVAQFJBXPCIL-QLFBSQMISA-N 2 2 370.457 0.700 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102857 1206018038 /nfs/dbraw/zinc/01/80/38/1206018038.db2.gz PJNVAQFJBXPCIL-QLFBSQMISA-N 2 2 370.457 0.700 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093103217 1206018678 /nfs/dbraw/zinc/01/86/78/1206018678.db2.gz XXUAKGGEZDOEJI-CKEIUWERSA-N 2 2 370.457 0.829 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093103217 1206018684 /nfs/dbraw/zinc/01/86/84/1206018684.db2.gz XXUAKGGEZDOEJI-CKEIUWERSA-N 2 2 370.457 0.829 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214670 1206060174 /nfs/dbraw/zinc/06/01/74/1206060174.db2.gz QYOVEHQZYBLHQU-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214670 1206060177 /nfs/dbraw/zinc/06/01/77/1206060177.db2.gz QYOVEHQZYBLHQU-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214670 1206060180 /nfs/dbraw/zinc/06/01/80/1206060180.db2.gz QYOVEHQZYBLHQU-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214670 1206060183 /nfs/dbraw/zinc/06/01/83/1206060183.db2.gz QYOVEHQZYBLHQU-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093279973 1206070924 /nfs/dbraw/zinc/07/09/24/1206070924.db2.gz ALLVBCVGWILAIG-OAGGEKHMSA-N 2 2 361.490 0.706 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2[nH+]ccn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454459 1206088053 /nfs/dbraw/zinc/08/80/53/1206088053.db2.gz FJRLQSBONBKJIM-LTDCPUDJSA-N 2 2 364.490 0.311 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690505 1206101233 /nfs/dbraw/zinc/10/12/33/1206101233.db2.gz YNUWWRWGAXVJCY-RBSFLKMASA-N 2 2 365.478 0.708 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690505 1206101236 /nfs/dbraw/zinc/10/12/36/1206101236.db2.gz YNUWWRWGAXVJCY-RBSFLKMASA-N 2 2 365.478 0.708 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093784468 1206115595 /nfs/dbraw/zinc/11/55/95/1206115595.db2.gz HCHJBBMBEWRQNP-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001093871754 1206138118 /nfs/dbraw/zinc/13/81/18/1206138118.db2.gz UVFKSIRAHBBTPR-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093871742 1206138788 /nfs/dbraw/zinc/13/87/88/1206138788.db2.gz UKSSBAVWDFDCHG-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)nn1 ZINC001093873511 1206138908 /nfs/dbraw/zinc/13/89/08/1206138908.db2.gz NLHIGRYNZHOPLR-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093872764 1206139336 /nfs/dbraw/zinc/13/93/36/1206139336.db2.gz BVAJBWSFLXMUME-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)C2 ZINC001093875535 1206139801 /nfs/dbraw/zinc/13/98/01/1206139801.db2.gz YOPWYFZZJMDBGF-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)CC2 ZINC001093875535 1206139806 /nfs/dbraw/zinc/13/98/06/1206139806.db2.gz YOPWYFZZJMDBGF-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)C2 ZINC001093875397 1206140298 /nfs/dbraw/zinc/14/02/98/1206140298.db2.gz QDGIQHDFNGUGDU-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)CC2 ZINC001093875397 1206140301 /nfs/dbraw/zinc/14/03/01/1206140301.db2.gz QDGIQHDFNGUGDU-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001093993228 1206165645 /nfs/dbraw/zinc/16/56/45/1206165645.db2.gz IIJMYCMCAVKGBQ-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001093993228 1206165646 /nfs/dbraw/zinc/16/56/46/1206165646.db2.gz IIJMYCMCAVKGBQ-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093998057 1206166816 /nfs/dbraw/zinc/16/68/16/1206166816.db2.gz IPEVOTDLDUOPKM-TZMCWYRMSA-N 2 2 361.450 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094056315 1206177454 /nfs/dbraw/zinc/17/74/54/1206177454.db2.gz XDZQHQLILSAVDM-RRCSTGOVSA-N 2 2 357.462 0.536 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094074515 1206179908 /nfs/dbraw/zinc/17/99/08/1206179908.db2.gz FGDIEWVJYXZHOM-FRRDWIJNSA-N 2 2 358.450 0.719 20 0 FCADLP Cc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094110802 1206185986 /nfs/dbraw/zinc/18/59/86/1206185986.db2.gz PDGDNUJJLNNZBB-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1C ZINC001094165897 1206198166 /nfs/dbraw/zinc/19/81/66/1206198166.db2.gz DNNWQUFGECRJPN-ZIAGYGMSSA-N 2 2 359.478 0.538 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001094190042 1206204937 /nfs/dbraw/zinc/20/49/37/1206204937.db2.gz WPDJTHBVAQOKQS-DGCLKSJQSA-N 2 2 358.450 0.466 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094232065 1206208471 /nfs/dbraw/zinc/20/84/71/1206208471.db2.gz LEXYZSUUYXCTTJ-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094232065 1206208475 /nfs/dbraw/zinc/20/84/75/1206208475.db2.gz LEXYZSUUYXCTTJ-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384750 1206222736 /nfs/dbraw/zinc/22/27/36/1206222736.db2.gz HUHOFKDZXAFUIL-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384750 1206222737 /nfs/dbraw/zinc/22/27/37/1206222737.db2.gz HUHOFKDZXAFUIL-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384750 1206222738 /nfs/dbraw/zinc/22/27/38/1206222738.db2.gz HUHOFKDZXAFUIL-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384750 1206222739 /nfs/dbraw/zinc/22/27/39/1206222739.db2.gz HUHOFKDZXAFUIL-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1 ZINC001094782526 1206247014 /nfs/dbraw/zinc/24/70/14/1206247014.db2.gz AMKWUFUYNRUATH-USXIJHARSA-N 2 2 371.485 0.725 20 0 FCADLP CN(C)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)ccn1 ZINC001095265811 1206290889 /nfs/dbraw/zinc/29/08/89/1206290889.db2.gz QJIDXIGZBBRPFS-OWSLCNJRSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)ccn1 ZINC001095265811 1206290890 /nfs/dbraw/zinc/29/08/90/1206290890.db2.gz QJIDXIGZBBRPFS-OWSLCNJRSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)ccn1 ZINC001095265811 1206290891 /nfs/dbraw/zinc/29/08/91/1206290891.db2.gz QJIDXIGZBBRPFS-OWSLCNJRSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)ccn1 ZINC001095265811 1206290892 /nfs/dbraw/zinc/29/08/92/1206290892.db2.gz QJIDXIGZBBRPFS-OWSLCNJRSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)n1 ZINC001095266922 1206291403 /nfs/dbraw/zinc/29/14/03/1206291403.db2.gz MOYZZMIRMZTLAI-FXUDXRNXSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001095266922 1206291405 /nfs/dbraw/zinc/29/14/05/1206291405.db2.gz MOYZZMIRMZTLAI-FXUDXRNXSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001095266922 1206291407 /nfs/dbraw/zinc/29/14/07/1206291407.db2.gz MOYZZMIRMZTLAI-FXUDXRNXSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001095266922 1206291409 /nfs/dbraw/zinc/29/14/09/1206291409.db2.gz MOYZZMIRMZTLAI-FXUDXRNXSA-N 2 2 363.462 0.363 20 0 FCADLP C[NH+]1CCN(c2ncc(Nc3cnn(CC[NH+]4CCOCC4)c3)cn2)CC1 ZINC001174490882 1206294349 /nfs/dbraw/zinc/29/43/49/1206294349.db2.gz XGDBVZXRWMYFIE-UHFFFAOYSA-N 2 2 372.477 0.501 20 0 FCADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C1 ZINC001175066342 1206298965 /nfs/dbraw/zinc/29/89/65/1206298965.db2.gz WAUIRSUSFXZRHO-OAHLLOKOSA-N 2 2 371.489 0.749 20 0 FCADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C1 ZINC001175066342 1206298968 /nfs/dbraw/zinc/29/89/68/1206298968.db2.gz WAUIRSUSFXZRHO-OAHLLOKOSA-N 2 2 371.489 0.749 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001177089681 1206329382 /nfs/dbraw/zinc/32/93/82/1206329382.db2.gz YANWBEMHDOEKDC-GFCCVEGCSA-N 2 2 361.406 0.321 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001177089681 1206329385 /nfs/dbraw/zinc/32/93/85/1206329385.db2.gz YANWBEMHDOEKDC-GFCCVEGCSA-N 2 2 361.406 0.321 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)/C=C/c3ccc[nH]3)CC2)C1=O ZINC001177933773 1206350638 /nfs/dbraw/zinc/35/06/38/1206350638.db2.gz SYPKCCQSPLHTDD-VOTSOKGWSA-N 2 2 373.501 0.725 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)/C=C/c3ccc[nH]3)CC2)C1=O ZINC001177933773 1206350640 /nfs/dbraw/zinc/35/06/40/1206350640.db2.gz SYPKCCQSPLHTDD-VOTSOKGWSA-N 2 2 373.501 0.725 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179558112 1206382819 /nfs/dbraw/zinc/38/28/19/1206382819.db2.gz YQBZQRNLUGKEEN-JJXSEGSLSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001180342674 1206393110 /nfs/dbraw/zinc/39/31/10/1206393110.db2.gz FIEYUWSKGVPBDT-UHFFFAOYSA-N 2 2 364.494 0.180 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@]3(C)CCCO3)CC2)C1=O ZINC001180466443 1206395444 /nfs/dbraw/zinc/39/54/44/1206395444.db2.gz IJRVPXOGHYELBH-SFHVURJKSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@]3(C)CCCO3)CC2)C1=O ZINC001180466443 1206395445 /nfs/dbraw/zinc/39/54/45/1206395445.db2.gz IJRVPXOGHYELBH-SFHVURJKSA-N 2 2 366.506 0.252 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761091 1206397722 /nfs/dbraw/zinc/39/77/22/1206397722.db2.gz WLUDFQYUWBJQSP-WJFTUGDTSA-N 2 2 374.485 0.460 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761091 1206397723 /nfs/dbraw/zinc/39/77/23/1206397723.db2.gz WLUDFQYUWBJQSP-WJFTUGDTSA-N 2 2 374.485 0.460 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001180761091 1206397724 /nfs/dbraw/zinc/39/77/24/1206397724.db2.gz WLUDFQYUWBJQSP-WJFTUGDTSA-N 2 2 374.485 0.460 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001180761091 1206397726 /nfs/dbraw/zinc/39/77/26/1206397726.db2.gz WLUDFQYUWBJQSP-WJFTUGDTSA-N 2 2 374.485 0.460 20 0 FCADLP COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001220585603 1224951734 /nfs/dbraw/zinc/95/17/34/1224951734.db2.gz QRVDKMHTUNJMHU-BPUTZDHNSA-N 2 2 363.458 0.753 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001185250595 1206477015 /nfs/dbraw/zinc/47/70/15/1206477015.db2.gz HPGFNOODBCWJRG-KRWDZBQOSA-N 2 2 356.474 0.453 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001185250595 1206477017 /nfs/dbraw/zinc/47/70/17/1206477017.db2.gz HPGFNOODBCWJRG-KRWDZBQOSA-N 2 2 356.474 0.453 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001185750104 1206485690 /nfs/dbraw/zinc/48/56/90/1206485690.db2.gz STEOTSHXLKHHAK-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001186039668 1206491109 /nfs/dbraw/zinc/49/11/09/1206491109.db2.gz ZFFPPCAPBUVDBI-MRXNPFEDSA-N 2 2 370.457 0.024 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001186039668 1206491110 /nfs/dbraw/zinc/49/11/10/1206491110.db2.gz ZFFPPCAPBUVDBI-MRXNPFEDSA-N 2 2 370.457 0.024 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001186043781 1206491818 /nfs/dbraw/zinc/49/18/18/1206491818.db2.gz AQFCHCRUUVWFJI-GFCCVEGCSA-N 2 2 373.379 0.647 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001186043781 1206491820 /nfs/dbraw/zinc/49/18/20/1206491820.db2.gz AQFCHCRUUVWFJI-GFCCVEGCSA-N 2 2 373.379 0.647 20 0 FCADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000775099561 1206518235 /nfs/dbraw/zinc/51/82/35/1206518235.db2.gz NLTMIXRYPHPXJD-UHFFFAOYSA-N 2 2 357.458 0.632 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714522 1207386633 /nfs/dbraw/zinc/38/66/33/1207386633.db2.gz SYAMHPPYECAANI-JKSUJKDBSA-N 2 2 363.462 0.028 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714522 1207386636 /nfs/dbraw/zinc/38/66/36/1207386636.db2.gz SYAMHPPYECAANI-JKSUJKDBSA-N 2 2 363.462 0.028 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187926061 1207402697 /nfs/dbraw/zinc/40/26/97/1207402697.db2.gz YMAQTDHXINJQRS-GVDBMIGSSA-N 2 2 358.442 0.796 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187926061 1207402699 /nfs/dbraw/zinc/40/26/99/1207402699.db2.gz YMAQTDHXINJQRS-GVDBMIGSSA-N 2 2 358.442 0.796 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188107518 1207423052 /nfs/dbraw/zinc/42/30/52/1207423052.db2.gz SPCRMURQYJHMIN-YESZJQIVSA-N 2 2 368.497 0.725 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188107518 1207423057 /nfs/dbraw/zinc/42/30/57/1207423057.db2.gz SPCRMURQYJHMIN-YESZJQIVSA-N 2 2 368.497 0.725 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368905 1207446744 /nfs/dbraw/zinc/44/67/44/1207446744.db2.gz BUWITJDXSFRQJL-HLLBOEOZSA-N 2 2 359.474 0.457 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368905 1207446747 /nfs/dbraw/zinc/44/67/47/1207446747.db2.gz BUWITJDXSFRQJL-HLLBOEOZSA-N 2 2 359.474 0.457 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188382994 1207448609 /nfs/dbraw/zinc/44/86/09/1207448609.db2.gz LRHCMYINAFXJQI-YESZJQIVSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188382994 1207448615 /nfs/dbraw/zinc/44/86/15/1207448615.db2.gz LRHCMYINAFXJQI-YESZJQIVSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388815 1207449472 /nfs/dbraw/zinc/44/94/72/1207449472.db2.gz USOWAIAMTYFLQS-XYJFISCASA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388815 1207449474 /nfs/dbraw/zinc/44/94/74/1207449474.db2.gz USOWAIAMTYFLQS-XYJFISCASA-N 2 2 362.474 0.641 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455741 1207457440 /nfs/dbraw/zinc/45/74/40/1207457440.db2.gz DLMTUIVWRNFOOL-OSAQELSMSA-N 2 2 370.413 0.064 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455741 1207457441 /nfs/dbraw/zinc/45/74/41/1207457441.db2.gz DLMTUIVWRNFOOL-OSAQELSMSA-N 2 2 370.413 0.064 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561369 1207463531 /nfs/dbraw/zinc/46/35/31/1207463531.db2.gz BMSDCLDNEHSTNB-IXDOHACOSA-N 2 2 361.490 0.981 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561369 1207463534 /nfs/dbraw/zinc/46/35/34/1207463534.db2.gz BMSDCLDNEHSTNB-IXDOHACOSA-N 2 2 361.490 0.981 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927761 1207486553 /nfs/dbraw/zinc/48/65/53/1207486553.db2.gz ZYMNMKXELHSFDK-GVDBMIGSSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927761 1207486558 /nfs/dbraw/zinc/48/65/58/1207486558.db2.gz ZYMNMKXELHSFDK-GVDBMIGSSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927761 1207486560 /nfs/dbraw/zinc/48/65/60/1207486560.db2.gz ZYMNMKXELHSFDK-GVDBMIGSSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927761 1207486562 /nfs/dbraw/zinc/48/65/62/1207486562.db2.gz ZYMNMKXELHSFDK-GVDBMIGSSA-N 2 2 366.506 0.153 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001188978702 1207496332 /nfs/dbraw/zinc/49/63/32/1207496332.db2.gz CQOKXPVDWDDWNN-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001188978702 1207496334 /nfs/dbraw/zinc/49/63/34/1207496334.db2.gz CQOKXPVDWDDWNN-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151955 1207512603 /nfs/dbraw/zinc/51/26/03/1207512603.db2.gz WKQKONBLCBEIJN-BPQIPLTHSA-N 2 2 358.486 0.567 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151955 1207512606 /nfs/dbraw/zinc/51/26/06/1207512606.db2.gz WKQKONBLCBEIJN-BPQIPLTHSA-N 2 2 358.486 0.567 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151955 1207512608 /nfs/dbraw/zinc/51/26/08/1207512608.db2.gz WKQKONBLCBEIJN-BPQIPLTHSA-N 2 2 358.486 0.567 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151955 1207512612 /nfs/dbraw/zinc/51/26/12/1207512612.db2.gz WKQKONBLCBEIJN-BPQIPLTHSA-N 2 2 358.486 0.567 20 0 FCADLP CCOC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1cccc(O)c1 ZINC001220667927 1225001420 /nfs/dbraw/zinc/00/14/20/1225001420.db2.gz HHWXUGNBLHIZEW-JKSUJKDBSA-N 2 2 360.414 0.806 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189899100 1207624126 /nfs/dbraw/zinc/62/41/26/1207624126.db2.gz XYHOGKHNMKTLBO-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189899100 1207624132 /nfs/dbraw/zinc/62/41/32/1207624132.db2.gz XYHOGKHNMKTLBO-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189899100 1207624138 /nfs/dbraw/zinc/62/41/38/1207624138.db2.gz XYHOGKHNMKTLBO-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189899100 1207624142 /nfs/dbraw/zinc/62/41/42/1207624142.db2.gz XYHOGKHNMKTLBO-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001189953093 1207629308 /nfs/dbraw/zinc/62/93/08/1207629308.db2.gz JXZNKRSXGKAZRW-HLLBOEOZSA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001189953093 1207629312 /nfs/dbraw/zinc/62/93/12/1207629312.db2.gz JXZNKRSXGKAZRW-HLLBOEOZSA-N 2 2 361.490 0.954 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178585 1207659278 /nfs/dbraw/zinc/65/92/78/1207659278.db2.gz YUNFNQYYIWDPET-BHYGNILZSA-N 2 2 361.490 0.981 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178585 1207659282 /nfs/dbraw/zinc/65/92/82/1207659282.db2.gz YUNFNQYYIWDPET-BHYGNILZSA-N 2 2 361.490 0.981 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014690 1207816102 /nfs/dbraw/zinc/81/61/02/1207816102.db2.gz QWDYUVXPKSCWKJ-HJERPXMYSA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014690 1207816104 /nfs/dbraw/zinc/81/61/04/1207816104.db2.gz QWDYUVXPKSCWKJ-HJERPXMYSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014690 1207816105 /nfs/dbraw/zinc/81/61/05/1207816105.db2.gz QWDYUVXPKSCWKJ-HJERPXMYSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014690 1207816106 /nfs/dbraw/zinc/81/61/06/1207816106.db2.gz QWDYUVXPKSCWKJ-HJERPXMYSA-N 2 2 359.470 0.582 20 0 FCADLP CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c2ccccc2)c1 ZINC001220700857 1225023473 /nfs/dbraw/zinc/02/34/73/1225023473.db2.gz QEMFNXXFBJDIII-SZMVWBNQSA-N 2 2 373.478 0.985 20 0 FCADLP CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2ccccc2)c1 ZINC001220700854 1225023785 /nfs/dbraw/zinc/02/37/85/1225023785.db2.gz QEMFNXXFBJDIII-BPQIPLTHSA-N 2 2 373.478 0.985 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193113134 1207859261 /nfs/dbraw/zinc/85/92/61/1207859261.db2.gz ZKNILRDMSHFTOQ-IAGOWNOFSA-N 2 2 364.490 0.740 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193113134 1207859262 /nfs/dbraw/zinc/85/92/62/1207859262.db2.gz ZKNILRDMSHFTOQ-IAGOWNOFSA-N 2 2 364.490 0.740 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001193095034 1207859960 /nfs/dbraw/zinc/85/99/60/1207859960.db2.gz FFXDQMJKLDBVPT-FVQBIDKESA-N 2 2 360.462 0.492 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001193095034 1207859963 /nfs/dbraw/zinc/85/99/63/1207859963.db2.gz FFXDQMJKLDBVPT-FVQBIDKESA-N 2 2 360.462 0.492 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193131195 1207860743 /nfs/dbraw/zinc/86/07/43/1207860743.db2.gz PVYAAWMGNTUPJR-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193131195 1207860744 /nfs/dbraw/zinc/86/07/44/1207860744.db2.gz PVYAAWMGNTUPJR-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001193131195 1207860746 /nfs/dbraw/zinc/86/07/46/1207860746.db2.gz PVYAAWMGNTUPJR-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001193131195 1207860748 /nfs/dbraw/zinc/86/07/48/1207860748.db2.gz PVYAAWMGNTUPJR-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)CCC1 ZINC001193766804 1207890775 /nfs/dbraw/zinc/89/07/75/1207890775.db2.gz XVQHVFOGGXHJQQ-QLFBSQMISA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)CCC1 ZINC001193766804 1207890776 /nfs/dbraw/zinc/89/07/76/1207890776.db2.gz XVQHVFOGGXHJQQ-QLFBSQMISA-N 2 2 366.506 0.031 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805364 1207891467 /nfs/dbraw/zinc/89/14/67/1207891467.db2.gz NCLZAXBVSXEUPK-IAOVAPTHSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805364 1207891470 /nfs/dbraw/zinc/89/14/70/1207891470.db2.gz NCLZAXBVSXEUPK-IAOVAPTHSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805364 1207891471 /nfs/dbraw/zinc/89/14/71/1207891471.db2.gz NCLZAXBVSXEUPK-IAOVAPTHSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805364 1207891473 /nfs/dbraw/zinc/89/14/73/1207891473.db2.gz NCLZAXBVSXEUPK-IAOVAPTHSA-N 2 2 368.522 0.325 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892067 1207897384 /nfs/dbraw/zinc/89/73/84/1207897384.db2.gz CUPRXMUTJMPGPT-GVDBMIGSSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892067 1207897386 /nfs/dbraw/zinc/89/73/86/1207897386.db2.gz CUPRXMUTJMPGPT-GVDBMIGSSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892067 1207897389 /nfs/dbraw/zinc/89/73/89/1207897389.db2.gz CUPRXMUTJMPGPT-GVDBMIGSSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892067 1207897390 /nfs/dbraw/zinc/89/73/90/1207897390.db2.gz CUPRXMUTJMPGPT-GVDBMIGSSA-N 2 2 366.506 0.035 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194989258 1207987435 /nfs/dbraw/zinc/98/74/35/1207987435.db2.gz YFAQNUWHBFKRTJ-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194989258 1207987436 /nfs/dbraw/zinc/98/74/36/1207987436.db2.gz YFAQNUWHBFKRTJ-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194989258 1207987438 /nfs/dbraw/zinc/98/74/38/1207987438.db2.gz YFAQNUWHBFKRTJ-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194989258 1207987441 /nfs/dbraw/zinc/98/74/41/1207987441.db2.gz YFAQNUWHBFKRTJ-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194989258 1207987443 /nfs/dbraw/zinc/98/74/43/1207987443.db2.gz YFAQNUWHBFKRTJ-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194989258 1207987444 /nfs/dbraw/zinc/98/74/44/1207987444.db2.gz YFAQNUWHBFKRTJ-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007183 1207989097 /nfs/dbraw/zinc/98/90/97/1207989097.db2.gz ZEGZQMFSRYXUDZ-DJIMGWMZSA-N 2 2 361.490 0.963 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007183 1207989100 /nfs/dbraw/zinc/98/91/00/1207989100.db2.gz ZEGZQMFSRYXUDZ-DJIMGWMZSA-N 2 2 361.490 0.963 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195007132 1207989164 /nfs/dbraw/zinc/98/91/64/1207989164.db2.gz YDOWUCTYGNWVLT-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195007132 1207989166 /nfs/dbraw/zinc/98/91/66/1207989166.db2.gz YDOWUCTYGNWVLT-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1O)CC2 ZINC001195640650 1208031285 /nfs/dbraw/zinc/03/12/85/1208031285.db2.gz JHAHHQQABDEQQG-CGTJXYLNSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O)CC2 ZINC001195640650 1208031289 /nfs/dbraw/zinc/03/12/89/1208031289.db2.gz JHAHHQQABDEQQG-CGTJXYLNSA-N 2 2 364.490 0.588 20 0 FCADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708614 1208036958 /nfs/dbraw/zinc/03/69/58/1208036958.db2.gz PQWKIURHKTXKOX-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708614 1208036961 /nfs/dbraw/zinc/03/69/61/1208036961.db2.gz PQWKIURHKTXKOX-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821825 1208042208 /nfs/dbraw/zinc/04/22/08/1208042208.db2.gz OYWOYCCOGABJJT-IAOVAPTHSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821825 1208042211 /nfs/dbraw/zinc/04/22/11/1208042211.db2.gz OYWOYCCOGABJJT-IAOVAPTHSA-N 2 2 368.522 0.183 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001195893959 1208043602 /nfs/dbraw/zinc/04/36/02/1208043602.db2.gz POWHUGMDFQURHJ-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC001195893959 1208043606 /nfs/dbraw/zinc/04/36/06/1208043606.db2.gz POWHUGMDFQURHJ-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)NC[C@H]3CCOC3)CC2)CC[NH+]1C ZINC001195893959 1208043610 /nfs/dbraw/zinc/04/36/10/1208043610.db2.gz POWHUGMDFQURHJ-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC[C@H]3CCOC3)CC2)CC[NH+]1C ZINC001195893959 1208043614 /nfs/dbraw/zinc/04/36/14/1208043614.db2.gz POWHUGMDFQURHJ-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001195980625 1208049254 /nfs/dbraw/zinc/04/92/54/1208049254.db2.gz ATHHIKCWEMEREW-JFIYKMOQSA-N 2 2 367.465 0.952 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1O)[NH+](CC)CC ZINC001196115352 1208058826 /nfs/dbraw/zinc/05/88/26/1208058826.db2.gz MLYAVPIFGBNTSJ-BRWVUGGUSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1O)[NH+](CC)CC ZINC001196115352 1208058830 /nfs/dbraw/zinc/05/88/30/1208058830.db2.gz MLYAVPIFGBNTSJ-BRWVUGGUSA-N 2 2 364.490 0.872 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196184825 1208064663 /nfs/dbraw/zinc/06/46/63/1208064663.db2.gz INMWHSUSJSLJAT-IAGOWNOFSA-N 2 2 366.462 0.472 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196184825 1208064665 /nfs/dbraw/zinc/06/46/65/1208064665.db2.gz INMWHSUSJSLJAT-IAGOWNOFSA-N 2 2 366.462 0.472 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1O ZINC001197000815 1208127659 /nfs/dbraw/zinc/12/76/59/1208127659.db2.gz KZSWMXDRZCFQCM-QZTJIDSGSA-N 2 2 365.522 0.902 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1O ZINC001197000815 1208127663 /nfs/dbraw/zinc/12/76/63/1208127663.db2.gz KZSWMXDRZCFQCM-QZTJIDSGSA-N 2 2 365.522 0.902 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001197000815 1208127670 /nfs/dbraw/zinc/12/76/70/1208127670.db2.gz KZSWMXDRZCFQCM-QZTJIDSGSA-N 2 2 365.522 0.902 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001197049220 1208130895 /nfs/dbraw/zinc/13/08/95/1208130895.db2.gz KVKFRTXSWINWED-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001197049220 1208130897 /nfs/dbraw/zinc/13/08/97/1208130897.db2.gz KVKFRTXSWINWED-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001197049547 1208130957 /nfs/dbraw/zinc/13/09/57/1208130957.db2.gz NNVAFOIOYYFQET-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@H]1O ZINC001197049547 1208130960 /nfs/dbraw/zinc/13/09/60/1208130960.db2.gz NNVAFOIOYYFQET-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001197057414 1208132077 /nfs/dbraw/zinc/13/20/77/1208132077.db2.gz AZVLRLKMDPPPSE-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001197057414 1208132080 /nfs/dbraw/zinc/13/20/80/1208132080.db2.gz AZVLRLKMDPPPSE-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O)C(C)C ZINC001197024416 1208133224 /nfs/dbraw/zinc/13/32/24/1208133224.db2.gz CRRZGHFYWAKBFO-NUJGCVRESA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O)C(C)C ZINC001197024416 1208133226 /nfs/dbraw/zinc/13/32/26/1208133226.db2.gz CRRZGHFYWAKBFO-NUJGCVRESA-N 2 2 368.522 0.135 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001197493405 1208171457 /nfs/dbraw/zinc/17/14/57/1208171457.db2.gz LQDXIBZZFVYEJW-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001197493405 1208171465 /nfs/dbraw/zinc/17/14/65/1208171465.db2.gz LQDXIBZZFVYEJW-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001197493405 1208171468 /nfs/dbraw/zinc/17/14/68/1208171468.db2.gz LQDXIBZZFVYEJW-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001197493405 1208171472 /nfs/dbraw/zinc/17/14/72/1208171472.db2.gz LQDXIBZZFVYEJW-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493501 1208171684 /nfs/dbraw/zinc/17/16/84/1208171684.db2.gz PVQFIKCKUOPOTC-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493501 1208171687 /nfs/dbraw/zinc/17/16/87/1208171687.db2.gz PVQFIKCKUOPOTC-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493501 1208171691 /nfs/dbraw/zinc/17/16/91/1208171691.db2.gz PVQFIKCKUOPOTC-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493501 1208171696 /nfs/dbraw/zinc/17/16/96/1208171696.db2.gz PVQFIKCKUOPOTC-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1cc(C)n(-c2cc[nH+]cc2)n1 ZINC001197545739 1208174155 /nfs/dbraw/zinc/17/41/55/1208174155.db2.gz TUAOOPFCECMIML-MRXNPFEDSA-N 2 2 368.397 0.823 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197724929 1208191180 /nfs/dbraw/zinc/19/11/80/1208191180.db2.gz YTHZMGUXSDRONR-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001197724929 1208191183 /nfs/dbraw/zinc/19/11/83/1208191183.db2.gz YTHZMGUXSDRONR-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197782486 1208196260 /nfs/dbraw/zinc/19/62/60/1208196260.db2.gz JDLHABGERAZOOJ-QZTJIDSGSA-N 2 2 364.490 0.445 20 0 FCADLP CC(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001197782486 1208196264 /nfs/dbraw/zinc/19/62/64/1208196264.db2.gz JDLHABGERAZOOJ-QZTJIDSGSA-N 2 2 364.490 0.445 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001198019378 1208211435 /nfs/dbraw/zinc/21/14/35/1208211435.db2.gz ZAHLPTMEXONPSW-MOPGFXCFSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001198019378 1208211437 /nfs/dbraw/zinc/21/14/37/1208211437.db2.gz ZAHLPTMEXONPSW-MOPGFXCFSA-N 2 2 363.502 0.885 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197996885 1208212380 /nfs/dbraw/zinc/21/23/80/1208212380.db2.gz LENJTTMLVCQPDA-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197996885 1208212382 /nfs/dbraw/zinc/21/23/82/1208212382.db2.gz LENJTTMLVCQPDA-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197996885 1208212385 /nfs/dbraw/zinc/21/23/85/1208212385.db2.gz LENJTTMLVCQPDA-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197996885 1208212386 /nfs/dbraw/zinc/21/23/86/1208212386.db2.gz LENJTTMLVCQPDA-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046396 1208212851 /nfs/dbraw/zinc/21/28/51/1208212851.db2.gz CCEWVBSNUJQVCC-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046396 1208212853 /nfs/dbraw/zinc/21/28/53/1208212853.db2.gz CCEWVBSNUJQVCC-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046396 1208212857 /nfs/dbraw/zinc/21/28/57/1208212857.db2.gz CCEWVBSNUJQVCC-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046396 1208212860 /nfs/dbraw/zinc/21/28/60/1208212860.db2.gz CCEWVBSNUJQVCC-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001198048503 1208212973 /nfs/dbraw/zinc/21/29/73/1208212973.db2.gz WTHQGVNPBMQNQF-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001198048503 1208212975 /nfs/dbraw/zinc/21/29/75/1208212975.db2.gz WTHQGVNPBMQNQF-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001198048503 1208212978 /nfs/dbraw/zinc/21/29/78/1208212978.db2.gz WTHQGVNPBMQNQF-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001198048503 1208212980 /nfs/dbraw/zinc/21/29/80/1208212980.db2.gz WTHQGVNPBMQNQF-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038003 1208215947 /nfs/dbraw/zinc/21/59/47/1208215947.db2.gz FWCNABZRTPITNN-BRWVUGGUSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038003 1208215948 /nfs/dbraw/zinc/21/59/48/1208215948.db2.gz FWCNABZRTPITNN-BRWVUGGUSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038003 1208215949 /nfs/dbraw/zinc/21/59/49/1208215949.db2.gz FWCNABZRTPITNN-BRWVUGGUSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038003 1208215950 /nfs/dbraw/zinc/21/59/50/1208215950.db2.gz FWCNABZRTPITNN-BRWVUGGUSA-N 2 2 370.538 0.430 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023630 1208310466 /nfs/dbraw/zinc/31/04/66/1208310466.db2.gz MTZKBGKKZVRPHW-GVDBMIGSSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023630 1208310467 /nfs/dbraw/zinc/31/04/67/1208310467.db2.gz MTZKBGKKZVRPHW-GVDBMIGSSA-N 2 2 368.522 0.184 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCc2cc3n(n2)CCCO3)CC1 ZINC001199358418 1208342706 /nfs/dbraw/zinc/34/27/06/1208342706.db2.gz CTQDFUSYQYHOPD-UHFFFAOYSA-N 2 2 356.430 0.742 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1O ZINC001199405333 1208349400 /nfs/dbraw/zinc/34/94/00/1208349400.db2.gz AGXCEUBXQVYRBS-QZTJIDSGSA-N 2 2 358.442 0.651 20 0 FCADLP COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406633 1208349891 /nfs/dbraw/zinc/34/98/91/1208349891.db2.gz UYSGRESOPXKFBJ-FGTMMUONSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1ccccc1OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199414610 1208350314 /nfs/dbraw/zinc/35/03/14/1208350314.db2.gz DIAJXRVUZURPEC-IAGOWNOFSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1ccccc1OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199414610 1208350316 /nfs/dbraw/zinc/35/03/16/1208350316.db2.gz DIAJXRVUZURPEC-IAGOWNOFSA-N 2 2 358.442 0.822 20 0 FCADLP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC001201041629 1208445019 /nfs/dbraw/zinc/44/50/19/1208445019.db2.gz DYPBNXQUHSFHHM-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001110569349 1208463105 /nfs/dbraw/zinc/46/31/05/1208463105.db2.gz KZNCRPGMEHVSLR-XDNAFOTISA-N 2 2 360.502 0.576 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001110569349 1208463118 /nfs/dbraw/zinc/46/31/18/1208463118.db2.gz KZNCRPGMEHVSLR-XDNAFOTISA-N 2 2 360.502 0.576 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001489056393 1208616158 /nfs/dbraw/zinc/61/61/58/1208616158.db2.gz UZEWVDSCESIRBH-HYVNUMGLSA-N 2 2 352.479 0.577 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489199087 1208660400 /nfs/dbraw/zinc/66/04/00/1208660400.db2.gz AUQUCBKCQYJGCW-OAGGEKHMSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489199087 1208660402 /nfs/dbraw/zinc/66/04/02/1208660402.db2.gz AUQUCBKCQYJGCW-OAGGEKHMSA-N 2 2 361.490 0.988 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806676 1225082779 /nfs/dbraw/zinc/08/27/79/1225082779.db2.gz JRASZBSRUSMWHX-SJORKVTESA-N 2 2 364.490 0.874 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806676 1225082787 /nfs/dbraw/zinc/08/27/87/1225082787.db2.gz JRASZBSRUSMWHX-SJORKVTESA-N 2 2 364.490 0.874 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816856 1225087366 /nfs/dbraw/zinc/08/73/66/1225087366.db2.gz DUUWEMHVQOGCHE-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816856 1225087370 /nfs/dbraw/zinc/08/73/70/1225087370.db2.gz DUUWEMHVQOGCHE-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816856 1225087373 /nfs/dbraw/zinc/08/73/73/1225087373.db2.gz DUUWEMHVQOGCHE-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816856 1225087378 /nfs/dbraw/zinc/08/73/78/1225087378.db2.gz DUUWEMHVQOGCHE-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP COC(=O)[C@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)c1c[nH]c2ccc(OC)cc21 ZINC001220840642 1225101239 /nfs/dbraw/zinc/10/12/39/1225101239.db2.gz RKEPVRHPCNDXMZ-OAHLLOKOSA-N 2 2 374.441 0.630 20 0 FCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C3([NH3+])CC[NH2+]CC3)CC2)c1 ZINC001220913309 1225137199 /nfs/dbraw/zinc/13/71/99/1225137199.db2.gz OQHXHBGPQPHKAW-UHFFFAOYSA-N 3 2 374.485 0.635 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001110673676 1209608099 /nfs/dbraw/zinc/60/80/99/1209608099.db2.gz MHTOPJMYUCQPCZ-ZACQAIPSSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001110673676 1209608102 /nfs/dbraw/zinc/60/81/02/1209608102.db2.gz MHTOPJMYUCQPCZ-ZACQAIPSSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001110673676 1209608109 /nfs/dbraw/zinc/60/81/09/1209608109.db2.gz MHTOPJMYUCQPCZ-ZACQAIPSSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001110673676 1209608111 /nfs/dbraw/zinc/60/81/11/1209608111.db2.gz MHTOPJMYUCQPCZ-ZACQAIPSSA-N 2 2 364.490 0.051 20 0 FCADLP [NH3+]CCn1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000854146029 1209616930 /nfs/dbraw/zinc/61/69/30/1209616930.db2.gz ASEFDUCQSLQYBM-HNNXBMFYSA-N 2 2 355.402 0.860 20 0 FCADLP [NH3+]CCn1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000854146029 1209616933 /nfs/dbraw/zinc/61/69/33/1209616933.db2.gz ASEFDUCQSLQYBM-HNNXBMFYSA-N 2 2 355.402 0.860 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220933859 1225147582 /nfs/dbraw/zinc/14/75/82/1225147582.db2.gz CRHIHYKZWSIVHM-SJORKVTESA-N 2 2 367.453 0.463 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693322 1209651672 /nfs/dbraw/zinc/65/16/72/1209651672.db2.gz HDBHEEMBXGGBDK-CBZIJGRNSA-N 2 2 368.522 0.447 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693322 1209651675 /nfs/dbraw/zinc/65/16/75/1209651675.db2.gz HDBHEEMBXGGBDK-CBZIJGRNSA-N 2 2 368.522 0.447 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708348 1209709405 /nfs/dbraw/zinc/70/94/05/1209709405.db2.gz YBUUNBCZTBBKDQ-OVYGPGRDSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708348 1209709409 /nfs/dbraw/zinc/70/94/09/1209709409.db2.gz YBUUNBCZTBBKDQ-OVYGPGRDSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001110708348 1209709413 /nfs/dbraw/zinc/70/94/13/1209709413.db2.gz YBUUNBCZTBBKDQ-OVYGPGRDSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001110708348 1209709417 /nfs/dbraw/zinc/70/94/17/1209709417.db2.gz YBUUNBCZTBBKDQ-OVYGPGRDSA-N 2 2 366.506 0.295 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)CC1 ZINC000856800978 1209729607 /nfs/dbraw/zinc/72/96/07/1209729607.db2.gz IXMXTKIKZSVWCK-CRAIPNDOSA-N 2 2 363.506 0.718 20 0 FCADLP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220974632 1225169093 /nfs/dbraw/zinc/16/90/93/1225169093.db2.gz FUNPKTSHKZMIES-JXFKEZNVSA-N 3 2 360.477 0.806 20 0 FCADLP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220974633 1225169840 /nfs/dbraw/zinc/16/98/40/1225169840.db2.gz FUNPKTSHKZMIES-OXJNMPFZSA-N 3 2 360.477 0.806 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O ZINC001220986077 1225174655 /nfs/dbraw/zinc/17/46/55/1225174655.db2.gz RMZVSUBORDMKRK-QGTPRVQTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O ZINC001220986077 1225174658 /nfs/dbraw/zinc/17/46/58/1225174658.db2.gz RMZVSUBORDMKRK-QGTPRVQTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001220986167 1225175173 /nfs/dbraw/zinc/17/51/73/1225175173.db2.gz VGGCLWQRZJNQGL-QGTPRVQTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001220986167 1225175176 /nfs/dbraw/zinc/17/51/76/1225175176.db2.gz VGGCLWQRZJNQGL-QGTPRVQTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000794565134 1209953039 /nfs/dbraw/zinc/95/30/39/1209953039.db2.gz JZZNOXGWXAZKJL-IRXDYDNUSA-N 2 2 370.538 0.926 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000794565134 1209953042 /nfs/dbraw/zinc/95/30/42/1209953042.db2.gz JZZNOXGWXAZKJL-IRXDYDNUSA-N 2 2 370.538 0.926 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000866768146 1210005872 /nfs/dbraw/zinc/00/58/72/1210005872.db2.gz PLXRRPSDANFJLC-YSDNAHFUSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000866768146 1210005876 /nfs/dbraw/zinc/00/58/76/1210005876.db2.gz PLXRRPSDANFJLC-YSDNAHFUSA-N 2 2 373.497 0.874 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1(Cc2ccncc2)CCOCC1 ZINC001220996884 1225181060 /nfs/dbraw/zinc/18/10/60/1225181060.db2.gz MZRDVMCWGUJNQY-KRWDZBQOSA-N 2 2 357.458 0.841 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)CC1 ZINC000868282202 1210049195 /nfs/dbraw/zinc/04/91/95/1210049195.db2.gz UQSPKPITQSFBRW-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000868302901 1210050925 /nfs/dbraw/zinc/05/09/25/1210050925.db2.gz SCIQNEXBGUDKMS-CALCHBBNSA-N 2 2 373.501 0.616 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\CN3CCOCC3)CC2)CC1 ZINC000868924165 1210078238 /nfs/dbraw/zinc/07/82/38/1210078238.db2.gz YLJQWKAQIHSMAG-HYXAFXHYSA-N 2 2 364.534 0.893 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\CN3CCOCC3)CC2)CC1 ZINC000868924165 1210078242 /nfs/dbraw/zinc/07/82/42/1210078242.db2.gz YLJQWKAQIHSMAG-HYXAFXHYSA-N 2 2 364.534 0.893 20 0 FCADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221010885 1225185545 /nfs/dbraw/zinc/18/55/45/1225185545.db2.gz SLOSRBFJLAHAFU-GJZGRUSLSA-N 2 2 357.462 0.486 20 0 FCADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221010885 1225185552 /nfs/dbraw/zinc/18/55/52/1225185552.db2.gz SLOSRBFJLAHAFU-GJZGRUSLSA-N 2 2 357.462 0.486 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC[NH2+]2)cc1 ZINC000870140926 1210109729 /nfs/dbraw/zinc/10/97/29/1210109729.db2.gz PEHMQMLLPHETLI-WMZOPIPTSA-N 2 2 374.485 0.578 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062736 1225204935 /nfs/dbraw/zinc/20/49/35/1225204935.db2.gz ZAKHXQTZKDHUKH-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062736 1225204943 /nfs/dbraw/zinc/20/49/43/1225204943.db2.gz ZAKHXQTZKDHUKH-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875271533 1210359427 /nfs/dbraw/zinc/35/94/27/1210359427.db2.gz LCMPCKNLTUHYDA-GOSISDBHSA-N 2 2 357.502 0.760 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875271533 1210359432 /nfs/dbraw/zinc/35/94/32/1210359432.db2.gz LCMPCKNLTUHYDA-GOSISDBHSA-N 2 2 357.502 0.760 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077418 1225212155 /nfs/dbraw/zinc/21/21/55/1225212155.db2.gz JZIXXYXNYKLREK-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001221077418 1225212161 /nfs/dbraw/zinc/21/21/61/1225212161.db2.gz JZIXXYXNYKLREK-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP CN(C[C@@](C)(O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000879356017 1210479131 /nfs/dbraw/zinc/47/91/31/1210479131.db2.gz VSGCUILMQNLMNN-SFHVURJKSA-N 2 2 372.510 0.310 20 0 FCADLP CN(C[C@@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000879356017 1210479134 /nfs/dbraw/zinc/47/91/34/1210479134.db2.gz VSGCUILMQNLMNN-SFHVURJKSA-N 2 2 372.510 0.310 20 0 FCADLP O=C(NCCO)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000879402086 1210480095 /nfs/dbraw/zinc/48/00/95/1210480095.db2.gz FCSWKKDZODUTBO-UHFFFAOYSA-N 2 2 361.486 0.839 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572001 1210488628 /nfs/dbraw/zinc/48/86/28/1210488628.db2.gz MVLKPSXWVBNCOI-IXDOHACOSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572001 1210488631 /nfs/dbraw/zinc/48/86/31/1210488631.db2.gz MVLKPSXWVBNCOI-IXDOHACOSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572001 1210488633 /nfs/dbraw/zinc/48/86/33/1210488633.db2.gz MVLKPSXWVBNCOI-IXDOHACOSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572001 1210488636 /nfs/dbraw/zinc/48/86/36/1210488636.db2.gz MVLKPSXWVBNCOI-IXDOHACOSA-N 2 2 374.485 0.979 20 0 FCADLP COc1cccc(C2([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC2)c1 ZINC001221091937 1225220006 /nfs/dbraw/zinc/22/00/06/1225220006.db2.gz IAAIIBNMEPDGND-KRWDZBQOSA-N 3 2 357.458 0.775 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883143681 1210656231 /nfs/dbraw/zinc/65/62/31/1210656231.db2.gz RVDXVPMHBHZYBP-HNNXBMFYSA-N 2 2 362.478 0.787 20 0 FCADLP CC(=O)N1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@@H]2C1 ZINC000883416634 1210665467 /nfs/dbraw/zinc/66/54/67/1210665467.db2.gz ACRHMCUPVFNUMS-BBWFWOEESA-N 2 2 363.506 0.275 20 0 FCADLP CC(=O)N1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@@H]2C1 ZINC000883416634 1210665476 /nfs/dbraw/zinc/66/54/76/1210665476.db2.gz ACRHMCUPVFNUMS-BBWFWOEESA-N 2 2 363.506 0.275 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417293 1210665773 /nfs/dbraw/zinc/66/57/73/1210665773.db2.gz VTCZQBICGTWJRL-SJORKVTESA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417293 1210665777 /nfs/dbraw/zinc/66/57/77/1210665777.db2.gz VTCZQBICGTWJRL-SJORKVTESA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416826 1210665864 /nfs/dbraw/zinc/66/58/64/1210665864.db2.gz GPLDPIRDVBVJCI-JKSUJKDBSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416826 1210665870 /nfs/dbraw/zinc/66/58/70/1210665870.db2.gz GPLDPIRDVBVJCI-JKSUJKDBSA-N 2 2 363.506 0.465 20 0 FCADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000884313353 1210729842 /nfs/dbraw/zinc/72/98/42/1210729842.db2.gz BZSJKOYXTUMRHY-HNNXBMFYSA-N 2 2 374.489 0.207 20 0 FCADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000884313353 1210729844 /nfs/dbraw/zinc/72/98/44/1210729844.db2.gz BZSJKOYXTUMRHY-HNNXBMFYSA-N 2 2 374.489 0.207 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000884622475 1210764513 /nfs/dbraw/zinc/76/45/13/1210764513.db2.gz PKKWSQQYLAQIMI-YJBOKZPZSA-N 2 2 371.485 0.410 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674516 1210777219 /nfs/dbraw/zinc/77/72/19/1210777219.db2.gz XYFGORGHJSZDFP-MSOLQXFVSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674516 1210777224 /nfs/dbraw/zinc/77/72/24/1210777224.db2.gz XYFGORGHJSZDFP-MSOLQXFVSA-N 2 2 374.485 0.180 20 0 FCADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000884678155 1210778492 /nfs/dbraw/zinc/77/84/92/1210778492.db2.gz QBDVMVZRXNVTHP-KRWDZBQOSA-N 2 2 367.453 0.683 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884692087 1210782544 /nfs/dbraw/zinc/78/25/44/1210782544.db2.gz GFLIJNGWVJBTTO-RDJZCZTQSA-N 2 2 355.442 0.856 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000884703777 1210782950 /nfs/dbraw/zinc/78/29/50/1210782950.db2.gz KIERZVMYBUKFBF-NVXWUHKLSA-N 2 2 362.474 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000884703777 1210782954 /nfs/dbraw/zinc/78/29/54/1210782954.db2.gz KIERZVMYBUKFBF-NVXWUHKLSA-N 2 2 362.474 0.166 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000884698809 1210783094 /nfs/dbraw/zinc/78/30/94/1210783094.db2.gz SPZHIENQZPCCBG-WBVHZDCISA-N 2 2 362.474 0.023 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000884698809 1210783098 /nfs/dbraw/zinc/78/30/98/1210783098.db2.gz SPZHIENQZPCCBG-WBVHZDCISA-N 2 2 362.474 0.023 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884715755 1210786423 /nfs/dbraw/zinc/78/64/23/1210786423.db2.gz DFJYDQYSKAIZKD-IAGOWNOFSA-N 2 2 355.442 0.999 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884723305 1210789940 /nfs/dbraw/zinc/78/99/40/1210789940.db2.gz GFUGFRCKOGWZSA-IAGOWNOFSA-N 2 2 371.441 0.235 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C[NH2+]1 ZINC000884818040 1210798999 /nfs/dbraw/zinc/79/89/99/1210798999.db2.gz WCZDPMWMYJHMOH-PVAVHDDUSA-N 2 2 355.442 0.997 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884845307 1210801203 /nfs/dbraw/zinc/80/12/03/1210801203.db2.gz PCKCUCZHAMYXQN-UHFFFAOYSA-N 2 2 355.442 0.694 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000884853396 1210801578 /nfs/dbraw/zinc/80/15/78/1210801578.db2.gz MWNVQAUEALHUFU-HNNXBMFYSA-N 2 2 367.457 0.865 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000884853396 1210801580 /nfs/dbraw/zinc/80/15/80/1210801580.db2.gz MWNVQAUEALHUFU-HNNXBMFYSA-N 2 2 367.457 0.865 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884966064 1210805739 /nfs/dbraw/zinc/80/57/39/1210805739.db2.gz BHLMCQUOXILQKL-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000885017685 1210808696 /nfs/dbraw/zinc/80/86/96/1210808696.db2.gz BIRZJNNJDZPSLE-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000885017685 1210808698 /nfs/dbraw/zinc/80/86/98/1210808698.db2.gz BIRZJNNJDZPSLE-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021039 1210809515 /nfs/dbraw/zinc/80/95/15/1210809515.db2.gz STEOQTXDUROUSL-ROUUACIJSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021039 1210809519 /nfs/dbraw/zinc/80/95/19/1210809519.db2.gz STEOQTXDUROUSL-ROUUACIJSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)C2)cc1 ZINC000885021329 1210809868 /nfs/dbraw/zinc/80/98/68/1210809868.db2.gz YUUXXASYLPUIIH-RYQLBKOJSA-N 2 2 374.485 0.260 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)C2)cc1 ZINC000885021329 1210809870 /nfs/dbraw/zinc/80/98/70/1210809870.db2.gz YUUXXASYLPUIIH-RYQLBKOJSA-N 2 2 374.485 0.260 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000885226865 1210815995 /nfs/dbraw/zinc/81/59/95/1210815995.db2.gz CJYDTQRUGKPUGI-QGZVFWFLSA-N 2 2 355.442 0.938 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227490 1210816038 /nfs/dbraw/zinc/81/60/38/1210816038.db2.gz IXWVJQHAAQXQGL-VQIMIIECSA-N 2 2 355.442 0.938 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[C@H]1F ZINC000885227785 1210816285 /nfs/dbraw/zinc/81/62/85/1210816285.db2.gz MZSLVFNUYDDFFK-OAGGEKHMSA-N 2 2 359.405 0.638 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885228598 1210816522 /nfs/dbraw/zinc/81/65/22/1210816522.db2.gz XFIRGSVBJZNLOG-RDJZCZTQSA-N 2 2 355.442 0.809 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C)c1ccco1 ZINC001691720139 1210843746 /nfs/dbraw/zinc/84/37/46/1210843746.db2.gz SXIKIGJFFHNAJV-KFWWJZLASA-N 2 2 350.463 0.988 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C)c1ccco1 ZINC001691720139 1210843747 /nfs/dbraw/zinc/84/37/47/1210843747.db2.gz SXIKIGJFFHNAJV-KFWWJZLASA-N 2 2 350.463 0.988 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887132685 1210849037 /nfs/dbraw/zinc/84/90/37/1210849037.db2.gz KZCZIYBQVZUHLZ-NVXWUHKLSA-N 2 2 359.474 0.719 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887132685 1210849038 /nfs/dbraw/zinc/84/90/38/1210849038.db2.gz KZCZIYBQVZUHLZ-NVXWUHKLSA-N 2 2 359.474 0.719 20 0 FCADLP CO[C@@H]1CCN2C(=O)N(C3CC[NH+](C4CC[NH+](C)CC4)CC3)C(=O)[C@@H]2C1 ZINC000349355166 1210869142 /nfs/dbraw/zinc/86/91/42/1210869142.db2.gz ZRUDXVPDCDGJTG-SJORKVTESA-N 2 2 364.490 0.987 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C3(O)CC[NH+](C)CC3)[C@@H]2C1 ZINC001274204281 1210912165 /nfs/dbraw/zinc/91/21/65/1210912165.db2.gz STZBKEGVKNBNNJ-JKSUJKDBSA-N 2 2 361.490 0.392 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)C3(O)CC[NH+](C)CC3)[C@@H]2C1 ZINC001274204281 1210912169 /nfs/dbraw/zinc/91/21/69/1210912169.db2.gz STZBKEGVKNBNNJ-JKSUJKDBSA-N 2 2 361.490 0.392 20 0 FCADLP CCC[NH+](CCC)CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274471410 1211062215 /nfs/dbraw/zinc/06/22/15/1211062215.db2.gz IVHBUQOCTFSGPS-MSOLQXFVSA-N 2 2 363.506 0.917 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3COCC[NH+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694047 1211103666 /nfs/dbraw/zinc/10/36/66/1211103666.db2.gz HMFNFSCYCBRCLZ-GBESFXJTSA-N 2 2 359.470 0.819 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3COCC[NH+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694047 1211103667 /nfs/dbraw/zinc/10/36/67/1211103667.db2.gz HMFNFSCYCBRCLZ-GBESFXJTSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@H]2CN(C(=O)C[C@H]3COCC[N@@H+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694047 1211103668 /nfs/dbraw/zinc/10/36/68/1211103668.db2.gz HMFNFSCYCBRCLZ-GBESFXJTSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@H]2CN(C(=O)C[C@H]3COCC[N@H+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694047 1211103669 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LRKLWECNPWOVFR-LJQANCHMSA-N 2 2 362.474 0.898 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169169 1211189035 /nfs/dbraw/zinc/18/90/35/1211189035.db2.gz CJABZSIUEVCASY-LJQANCHMSA-N 2 2 360.506 0.614 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CCC[N@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169169 1211189036 /nfs/dbraw/zinc/18/90/36/1211189036.db2.gz CJABZSIUEVCASY-LJQANCHMSA-N 2 2 360.506 0.614 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169169 1211189038 /nfs/dbraw/zinc/18/90/38/1211189038.db2.gz CJABZSIUEVCASY-LJQANCHMSA-N 2 2 360.506 0.614 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CCC[N@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169169 1211189039 /nfs/dbraw/zinc/18/90/39/1211189039.db2.gz CJABZSIUEVCASY-LJQANCHMSA-N 2 2 360.506 0.614 20 0 FCADLP O=C1CO[C@]2(CC[N@@H+](Cc3ccc(CO)o3)C2)CN1CCn1cc[nH+]c1 ZINC001275253524 1211203415 /nfs/dbraw/zinc/20/34/15/1211203415.db2.gz AWBAYYUCRUZXHF-SFHVURJKSA-N 2 2 360.414 0.472 20 0 FCADLP O=C1CO[C@]2(CC[N@H+](Cc3ccc(CO)o3)C2)CN1CCn1cc[nH+]c1 ZINC001275253524 1211203419 /nfs/dbraw/zinc/20/34/19/1211203419.db2.gz AWBAYYUCRUZXHF-SFHVURJKSA-N 2 2 360.414 0.472 20 0 FCADLP Cc1nc[nH]c1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275289499 1211209731 /nfs/dbraw/zinc/20/97/31/1211209731.db2.gz RDCHYBJUEKSZKK-GOSISDBHSA-N 2 2 356.430 0.956 20 0 FCADLP Cc1nc[nH]c1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275289499 1211209734 /nfs/dbraw/zinc/20/97/34/1211209734.db2.gz RDCHYBJUEKSZKK-GOSISDBHSA-N 2 2 356.430 0.956 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3nc4ccccc4[nH]3)C2)OCC1=O ZINC001275295016 1211210481 /nfs/dbraw/zinc/21/04/81/1211210481.db2.gz UCWILYNFFHKAQE-IBGZPJMESA-N 2 2 357.458 0.928 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)OCC1=O ZINC001275295016 1211210485 /nfs/dbraw/zinc/21/04/85/1211210485.db2.gz UCWILYNFFHKAQE-IBGZPJMESA-N 2 2 357.458 0.928 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392935 1211230207 /nfs/dbraw/zinc/23/02/07/1211230207.db2.gz WNLPFTOHMKDYHL-GOSISDBHSA-N 2 2 364.446 0.690 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392935 1211230209 /nfs/dbraw/zinc/23/02/09/1211230209.db2.gz WNLPFTOHMKDYHL-GOSISDBHSA-N 2 2 364.446 0.690 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443292 1211238421 /nfs/dbraw/zinc/23/84/21/1211238421.db2.gz ONQKNWWYCNXZAG-FZKQIMNGSA-N 2 2 362.430 0.249 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443292 1211238424 /nfs/dbraw/zinc/23/84/24/1211238424.db2.gz ONQKNWWYCNXZAG-FZKQIMNGSA-N 2 2 362.430 0.249 20 0 FCADLP O=c1cccc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)[nH]1 ZINC001275448206 1211239577 /nfs/dbraw/zinc/23/95/77/1211239577.db2.gz GFRACDXBYWSWBP-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP O=c1cccc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)[nH]1 ZINC001275448206 1211239580 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CN(C)C(=O)CCN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275750747 1211281099 /nfs/dbraw/zinc/28/10/99/1211281099.db2.gz POZFMGWPYLNJHE-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP COCCOC[N@@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801225 1211285770 /nfs/dbraw/zinc/28/57/70/1211285770.db2.gz MLUJTDAZABKGNB-QGZVFWFLSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[N@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801225 1211285771 /nfs/dbraw/zinc/28/57/71/1211285771.db2.gz MLUJTDAZABKGNB-QGZVFWFLSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801225 1211285773 /nfs/dbraw/zinc/28/57/73/1211285773.db2.gz MLUJTDAZABKGNB-QGZVFWFLSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC001275801225 1211285775 /nfs/dbraw/zinc/28/57/75/1211285775.db2.gz MLUJTDAZABKGNB-QGZVFWFLSA-N 2 2 369.506 0.378 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001095447524 1211348463 /nfs/dbraw/zinc/34/84/63/1211348463.db2.gz AIWIUPXMYQZQPN-QZWWFDLISA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001095447524 1211348466 /nfs/dbraw/zinc/34/84/66/1211348466.db2.gz AIWIUPXMYQZQPN-QZWWFDLISA-N 2 2 371.485 0.762 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447648 1211348826 /nfs/dbraw/zinc/34/88/26/1211348826.db2.gz GSFWKNDJMBQYSY-QXSJWSMHSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447648 1211348829 /nfs/dbraw/zinc/34/88/29/1211348829.db2.gz GSFWKNDJMBQYSY-QXSJWSMHSA-N 2 2 359.474 0.747 20 0 FCADLP O=C1CO[C@@]2(CC[N@@H+](Cc3ncccc3O)C2)CN1CCn1cc[nH+]c1 ZINC001276118835 1211356022 /nfs/dbraw/zinc/35/60/22/1211356022.db2.gz CQUVUOOQPOHPPH-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](Cc3ncccc3O)C2)CN1CCn1cc[nH+]c1 ZINC001276118835 1211356026 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C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001221774003 1225477718 /nfs/dbraw/zinc/47/77/18/1225477718.db2.gz NYUQSJGEWDNMTP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001221774003 1225477722 /nfs/dbraw/zinc/47/77/22/1225477722.db2.gz NYUQSJGEWDNMTP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813423 1225488639 /nfs/dbraw/zinc/48/86/39/1225488639.db2.gz JGVFGYJFZBESAY-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813423 1225488643 /nfs/dbraw/zinc/48/86/43/1225488643.db2.gz JGVFGYJFZBESAY-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001012564494 1213892565 /nfs/dbraw/zinc/89/25/65/1213892565.db2.gz MJWKWSPEGVPLAF-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001012564494 1213892571 /nfs/dbraw/zinc/89/25/71/1213892571.db2.gz MJWKWSPEGVPLAF-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813423 1225488631 /nfs/dbraw/zinc/48/86/31/1225488631.db2.gz JGVFGYJFZBESAY-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813423 1225488636 /nfs/dbraw/zinc/48/86/36/1225488636.db2.gz JGVFGYJFZBESAY-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823049 1225494523 /nfs/dbraw/zinc/49/45/23/1225494523.db2.gz CSUQUNHPXWUWTM-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823049 1225494527 /nfs/dbraw/zinc/49/45/27/1225494527.db2.gz CSUQUNHPXWUWTM-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@H+](CCCCCn3cncn3)C[C@H]21 ZINC001221835679 1225499654 /nfs/dbraw/zinc/49/96/54/1225499654.db2.gz VQUSRQYAGNDSEI-NVXWUHKLSA-N 2 2 357.462 0.947 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@@H+](CCCCCn3cncn3)C[C@H]21 ZINC001221835679 1225499657 /nfs/dbraw/zinc/49/96/57/1225499657.db2.gz VQUSRQYAGNDSEI-NVXWUHKLSA-N 2 2 357.462 0.947 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)C(C)(C)C)C2 ZINC001276825476 1225496356 /nfs/dbraw/zinc/49/63/56/1225496356.db2.gz UIFOVXZZROBOPL-LPHOPBHVSA-N 2 2 364.490 0.878 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)C(C)(C)C)C2 ZINC001276825476 1225496359 /nfs/dbraw/zinc/49/63/59/1225496359.db2.gz UIFOVXZZROBOPL-LPHOPBHVSA-N 2 2 364.490 0.878 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1cnnn1C)CC2 ZINC001016831076 1214048473 /nfs/dbraw/zinc/04/84/73/1214048473.db2.gz LZPPHUKGOHUGRY-BFYDXBDKSA-N 2 2 369.473 0.823 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001017054780 1214069533 /nfs/dbraw/zinc/06/95/33/1214069533.db2.gz UPTJWELLAYVKCR-QDIHITRGSA-N 2 2 370.457 0.834 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cn2cc[nH+]c2)C3)CC[N@@H+]1C ZINC001019072377 1214192124 /nfs/dbraw/zinc/19/21/24/1214192124.db2.gz GJVHOQCHYIZHED-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cn2cc[nH+]c2)C3)CC[N@H+]1C ZINC001019072377 1214192128 /nfs/dbraw/zinc/19/21/28/1214192128.db2.gz GJVHOQCHYIZHED-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP COc1cncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001019407607 1214237803 /nfs/dbraw/zinc/23/78/03/1214237803.db2.gz LQMVUBZLVBHRLG-NWANDNLSSA-N 2 2 356.430 0.713 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000961600617 1214239284 /nfs/dbraw/zinc/23/92/84/1214239284.db2.gz RDCGXJKVDOVSOP-NQNKBUKLSA-N 2 2 371.485 0.392 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000961600617 1214239288 /nfs/dbraw/zinc/23/92/88/1214239288.db2.gz RDCGXJKVDOVSOP-NQNKBUKLSA-N 2 2 371.485 0.392 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nnnn1C1CC1 ZINC001020286591 1214328024 /nfs/dbraw/zinc/32/80/24/1214328024.db2.gz FBHRHUGHRLGSRN-WPLOAARJSA-N 2 2 363.466 0.025 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nnnn1C1CC1 ZINC001020286591 1214328031 /nfs/dbraw/zinc/32/80/31/1214328031.db2.gz FBHRHUGHRLGSRN-WPLOAARJSA-N 2 2 363.466 0.025 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001221878058 1225518792 /nfs/dbraw/zinc/51/87/92/1225518792.db2.gz ZHTKZIHZZUXUMY-FMKPAKJESA-N 2 2 367.494 0.080 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001221878058 1225518796 /nfs/dbraw/zinc/51/87/96/1225518796.db2.gz ZHTKZIHZZUXUMY-FMKPAKJESA-N 2 2 367.494 0.080 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C(N)=O)cc2)O1 ZINC001038397330 1214354812 /nfs/dbraw/zinc/35/48/12/1214354812.db2.gz YQXFBXGIPVGROP-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C(N)=O)cc2)O1 ZINC001038397330 1214354814 /nfs/dbraw/zinc/35/48/14/1214354814.db2.gz YQXFBXGIPVGROP-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C(N)=O)cc2)O1 ZINC001038397330 1214354819 /nfs/dbraw/zinc/35/48/19/1214354819.db2.gz YQXFBXGIPVGROP-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C(N)=O)cc2)O1 ZINC001038397330 1214354824 /nfs/dbraw/zinc/35/48/24/1214354824.db2.gz YQXFBXGIPVGROP-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N(C)C)CC2 ZINC001095933933 1214371056 /nfs/dbraw/zinc/37/10/56/1214371056.db2.gz GNTOAAFGMBOMGB-FSDCSDTHSA-N 2 2 359.474 0.564 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N(C)C)CC2 ZINC001095933933 1214371061 /nfs/dbraw/zinc/37/10/61/1214371061.db2.gz GNTOAAFGMBOMGB-FSDCSDTHSA-N 2 2 359.474 0.564 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001221890041 1225523611 /nfs/dbraw/zinc/52/36/11/1225523611.db2.gz ZMWLLVFYMWQVSN-QZTJIDSGSA-N 2 2 362.518 0.777 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001221890041 1225523614 /nfs/dbraw/zinc/52/36/14/1225523614.db2.gz ZMWLLVFYMWQVSN-QZTJIDSGSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2cn(C)nn2)C3)CC[N@@H+]1C ZINC001040211534 1214485286 /nfs/dbraw/zinc/48/52/86/1214485286.db2.gz WQUAGHDGAJEDFD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2cn(C)nn2)C3)CC[N@H+]1C ZINC001040211534 1214485289 /nfs/dbraw/zinc/48/52/89/1214485289.db2.gz WQUAGHDGAJEDFD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cn(C)nn2)C3)CC[NH+]1C ZINC001040211534 1214485293 /nfs/dbraw/zinc/48/52/93/1214485293.db2.gz WQUAGHDGAJEDFD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cn(C)nn2)C3)CC[NH+]1C ZINC001040211534 1214485294 /nfs/dbraw/zinc/48/52/94/1214485294.db2.gz WQUAGHDGAJEDFD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2ncnn2C)CC3)CC[N@@H+]1C ZINC001040708267 1214570595 /nfs/dbraw/zinc/57/05/95/1214570595.db2.gz SSHSSOKEQHXPLR-HZPDHXFCSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2ncnn2C)CC3)CC[N@H+]1C ZINC001040708267 1214570600 /nfs/dbraw/zinc/57/06/00/1214570600.db2.gz SSHSSOKEQHXPLR-HZPDHXFCSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)CC[N@@H+]1C ZINC001040857447 1214606291 /nfs/dbraw/zinc/60/62/91/1214606291.db2.gz PQMZHQOPGVIOCI-HLPPOEQASA-N 2 2 369.473 0.741 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)CC[N@H+]1C ZINC001040857447 1214606294 /nfs/dbraw/zinc/60/62/94/1214606294.db2.gz PQMZHQOPGVIOCI-HLPPOEQASA-N 2 2 369.473 0.741 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221946940 1225546735 /nfs/dbraw/zinc/54/67/35/1225546735.db2.gz KCODJVQCJCTEPJ-BPQIPLTHSA-N 2 2 364.490 0.529 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950135 1225549139 /nfs/dbraw/zinc/54/91/39/1225549139.db2.gz VFAZZZNJWXMSFP-BRWVUGGUSA-N 2 2 362.518 0.920 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950135 1225549144 /nfs/dbraw/zinc/54/91/44/1225549144.db2.gz VFAZZZNJWXMSFP-BRWVUGGUSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001221950802 1225550074 /nfs/dbraw/zinc/55/00/74/1225550074.db2.gz ZEIVONWEKUWYFC-HZPDHXFCSA-N 2 2 368.522 0.260 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001221950802 1225550077 /nfs/dbraw/zinc/55/00/77/1225550077.db2.gz ZEIVONWEKUWYFC-HZPDHXFCSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963151306 1214751975 /nfs/dbraw/zinc/75/19/75/1214751975.db2.gz HJYOFHSOPZJOGK-NCOADZHNSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963151306 1214751980 /nfs/dbraw/zinc/75/19/80/1214751980.db2.gz HJYOFHSOPZJOGK-NCOADZHNSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963333098 1214797540 /nfs/dbraw/zinc/79/75/40/1214797540.db2.gz JROHYHWDXWDWDV-QBPKDAKJSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963333098 1214797547 /nfs/dbraw/zinc/79/75/47/1214797547.db2.gz JROHYHWDXWDWDV-QBPKDAKJSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cn2cc[nH+]c2)CC3)CC[N@@H+]1C ZINC000963925587 1214876241 /nfs/dbraw/zinc/87/62/41/1214876241.db2.gz RDHVABMQTZLCLJ-OAGGEKHMSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cn2cc[nH+]c2)CC3)CC[N@H+]1C ZINC000963925587 1214876244 /nfs/dbraw/zinc/87/62/44/1214876244.db2.gz RDHVABMQTZLCLJ-OAGGEKHMSA-N 2 2 359.474 0.721 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001221979568 1225559992 /nfs/dbraw/zinc/55/99/92/1225559992.db2.gz IIVLWLPIYTVECR-SOLBZPMBSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001221979568 1225559998 /nfs/dbraw/zinc/55/99/98/1225559998.db2.gz IIVLWLPIYTVECR-SOLBZPMBSA-N 2 2 362.474 0.989 20 0 FCADLP CCNc1cc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC001221999840 1225569238 /nfs/dbraw/zinc/56/92/38/1225569238.db2.gz OHFXQUBEUPCRMP-HNNXBMFYSA-N 2 2 362.478 0.900 20 0 FCADLP CCNc1cc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC001221999840 1225569239 /nfs/dbraw/zinc/56/92/39/1225569239.db2.gz OHFXQUBEUPCRMP-HNNXBMFYSA-N 2 2 362.478 0.900 20 0 FCADLP CN(C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001222003234 1225570016 /nfs/dbraw/zinc/57/00/16/1225570016.db2.gz WGNMAPXXJQKXSG-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCN(C)C1=O)C2 ZINC000965159955 1215026420 /nfs/dbraw/zinc/02/64/20/1215026420.db2.gz JBQLRTFWGWPBGM-XLOZXQJESA-N 2 2 371.485 0.771 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018022 1225577445 /nfs/dbraw/zinc/57/74/45/1225577445.db2.gz JCOQOTOLTCOJPN-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018022 1225577449 /nfs/dbraw/zinc/57/74/49/1225577449.db2.gz JCOQOTOLTCOJPN-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001222053722 1225591946 /nfs/dbraw/zinc/59/19/46/1225591946.db2.gz ZLQFALNXROMVMJ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001222053722 1225591948 /nfs/dbraw/zinc/59/19/48/1225591948.db2.gz ZLQFALNXROMVMJ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001222053722 1225591950 /nfs/dbraw/zinc/59/19/50/1225591950.db2.gz ZLQFALNXROMVMJ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001222053722 1225591952 /nfs/dbraw/zinc/59/19/52/1225591952.db2.gz ZLQFALNXROMVMJ-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001222093624 1225597479 /nfs/dbraw/zinc/59/74/79/1225597479.db2.gz INJOYVFBCWMCCX-BRWVUGGUSA-N 2 2 369.473 0.975 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001222093624 1225597482 /nfs/dbraw/zinc/59/74/82/1225597482.db2.gz INJOYVFBCWMCCX-BRWVUGGUSA-N 2 2 369.473 0.975 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001222098588 1225599181 /nfs/dbraw/zinc/59/91/81/1225599181.db2.gz KTODZUBOZUBZRF-RTBURBONSA-N 2 2 368.485 0.943 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001222098588 1225599182 /nfs/dbraw/zinc/59/91/82/1225599182.db2.gz KTODZUBOZUBZRF-RTBURBONSA-N 2 2 368.485 0.943 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001222098588 1225599184 /nfs/dbraw/zinc/59/91/84/1225599184.db2.gz KTODZUBOZUBZRF-RTBURBONSA-N 2 2 368.485 0.943 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21)Cc1ccccc1 ZINC001222098588 1225599188 /nfs/dbraw/zinc/59/91/88/1225599188.db2.gz KTODZUBOZUBZRF-RTBURBONSA-N 2 2 368.485 0.943 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276828122 1225610364 /nfs/dbraw/zinc/61/03/64/1225610364.db2.gz QXNRUGHWTZTMAJ-MAUKXSAKSA-N 2 2 364.446 0.264 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276828122 1225610369 /nfs/dbraw/zinc/61/03/69/1225610369.db2.gz QXNRUGHWTZTMAJ-MAUKXSAKSA-N 2 2 364.446 0.264 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489560 1225628176 /nfs/dbraw/zinc/62/81/76/1225628176.db2.gz WZWLZQGFPBMFFQ-IKGGRYGDSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489560 1225628180 /nfs/dbraw/zinc/62/81/80/1225628180.db2.gz WZWLZQGFPBMFFQ-IKGGRYGDSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489560 1225628183 /nfs/dbraw/zinc/62/81/83/1225628183.db2.gz WZWLZQGFPBMFFQ-IKGGRYGDSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489560 1225628187 /nfs/dbraw/zinc/62/81/87/1225628187.db2.gz WZWLZQGFPBMFFQ-IKGGRYGDSA-N 2 2 366.506 0.012 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001055649877 1215897837 /nfs/dbraw/zinc/89/78/37/1215897837.db2.gz DMTBLKWCKLBJRT-RHSMWYFYSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001000006966 1215989264 /nfs/dbraw/zinc/98/92/64/1215989264.db2.gz BMODHURYBBACLR-OAGGEKHMSA-N 2 2 357.458 0.192 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001000008401 1215990113 /nfs/dbraw/zinc/99/01/13/1215990113.db2.gz NCXMHDGPTMQQNR-HZPDHXFCSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@H](C(N)=O)[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC001000259057 1216027282 /nfs/dbraw/zinc/02/72/82/1216027282.db2.gz KGZLRSJNPGNSHL-BPLDGKMQSA-N 2 2 359.474 0.758 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001000696753 1216106730 /nfs/dbraw/zinc/10/67/30/1216106730.db2.gz TVAJRZLKCKNQLR-LSDHHAIUSA-N 2 2 362.478 0.087 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001000696753 1216106732 /nfs/dbraw/zinc/10/67/32/1216106732.db2.gz TVAJRZLKCKNQLR-LSDHHAIUSA-N 2 2 362.478 0.087 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001000696753 1216106736 /nfs/dbraw/zinc/10/67/36/1216106736.db2.gz TVAJRZLKCKNQLR-LSDHHAIUSA-N 2 2 362.478 0.087 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001000696753 1216106738 /nfs/dbraw/zinc/10/67/38/1216106738.db2.gz TVAJRZLKCKNQLR-LSDHHAIUSA-N 2 2 362.478 0.087 20 0 FCADLP O=C(NCC1=CC[N@H+](C[C@@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001000809940 1216115776 /nfs/dbraw/zinc/11/57/76/1216115776.db2.gz DWLVXCKRDCTPDY-BRWVUGGUSA-N 2 2 370.457 0.519 20 0 FCADLP O=C(NCC1=CC[N@@H+](C[C@@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001000809940 1216115778 /nfs/dbraw/zinc/11/57/78/1216115778.db2.gz DWLVXCKRDCTPDY-BRWVUGGUSA-N 2 2 370.457 0.519 20 0 FCADLP O=C(NCC1=CC[N@H+](C[C@@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001000809940 1216115780 /nfs/dbraw/zinc/11/57/80/1216115780.db2.gz DWLVXCKRDCTPDY-BRWVUGGUSA-N 2 2 370.457 0.519 20 0 FCADLP O=C(NCC1=CC[N@@H+](C[C@@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001000809940 1216115782 /nfs/dbraw/zinc/11/57/82/1216115782.db2.gz DWLVXCKRDCTPDY-BRWVUGGUSA-N 2 2 370.457 0.519 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838519 1216119627 /nfs/dbraw/zinc/11/96/27/1216119627.db2.gz WHHYEAWBPFOPHX-CKEIUWERSA-N 2 2 364.490 0.121 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838519 1216119630 /nfs/dbraw/zinc/11/96/30/1216119630.db2.gz WHHYEAWBPFOPHX-CKEIUWERSA-N 2 2 364.490 0.121 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000838519 1216119631 /nfs/dbraw/zinc/11/96/31/1216119631.db2.gz WHHYEAWBPFOPHX-CKEIUWERSA-N 2 2 364.490 0.121 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000838519 1216119634 /nfs/dbraw/zinc/11/96/34/1216119634.db2.gz WHHYEAWBPFOPHX-CKEIUWERSA-N 2 2 364.490 0.121 20 0 FCADLP COc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001001534752 1216239465 /nfs/dbraw/zinc/23/94/65/1216239465.db2.gz ZRHSZMQETYGPEJ-CZUORRHYSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001001534752 1216239476 /nfs/dbraw/zinc/23/94/76/1216239476.db2.gz ZRHSZMQETYGPEJ-CZUORRHYSA-N 2 2 366.462 0.731 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001050367905 1216313038 /nfs/dbraw/zinc/31/30/38/1216313038.db2.gz CBFQVXOPZQDOMK-QCODTGAPSA-N 2 2 359.474 0.677 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2ncnn2C)CC3)CC[N@@H+]1C ZINC001050524030 1216331573 /nfs/dbraw/zinc/33/15/73/1216331573.db2.gz RBQIXJGRGMSRNN-JKSUJKDBSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2ncnn2C)CC3)CC[N@H+]1C ZINC001050524030 1216331580 /nfs/dbraw/zinc/33/15/80/1216331580.db2.gz RBQIXJGRGMSRNN-JKSUJKDBSA-N 2 2 360.506 0.970 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223012879 1225672953 /nfs/dbraw/zinc/67/29/53/1225672953.db2.gz GLNXKWDJYGTZEF-IKGGRYGDSA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223012879 1225672955 /nfs/dbraw/zinc/67/29/55/1225672955.db2.gz GLNXKWDJYGTZEF-IKGGRYGDSA-N 2 2 362.474 0.377 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624576 1216469356 /nfs/dbraw/zinc/46/93/56/1216469356.db2.gz RSRRDHWSYADDSL-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624576 1216469360 /nfs/dbraw/zinc/46/93/60/1216469360.db2.gz RSRRDHWSYADDSL-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP Cc1oncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834117 1216484856 /nfs/dbraw/zinc/48/48/56/1216484856.db2.gz HGYFKJBKDOBQGY-BZUAXINKSA-N 2 2 359.430 0.837 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001052395478 1216547549 /nfs/dbraw/zinc/54/75/49/1216547549.db2.gz SGCDFHYQEFDFOS-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001052395478 1216547553 /nfs/dbraw/zinc/54/75/53/1216547553.db2.gz SGCDFHYQEFDFOS-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001052395478 1216547563 /nfs/dbraw/zinc/54/75/63/1216547563.db2.gz SGCDFHYQEFDFOS-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001052395478 1216547574 /nfs/dbraw/zinc/54/75/74/1216547574.db2.gz SGCDFHYQEFDFOS-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052461414 1216557625 /nfs/dbraw/zinc/55/76/25/1216557625.db2.gz QFRVQRSBQKDOOJ-RBSFLKMASA-N 2 2 360.462 0.509 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052461414 1216557632 /nfs/dbraw/zinc/55/76/32/1216557632.db2.gz QFRVQRSBQKDOOJ-RBSFLKMASA-N 2 2 360.462 0.509 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052461414 1216557641 /nfs/dbraw/zinc/55/76/41/1216557641.db2.gz QFRVQRSBQKDOOJ-RBSFLKMASA-N 2 2 360.462 0.509 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052461414 1216557645 /nfs/dbraw/zinc/55/76/45/1216557645.db2.gz QFRVQRSBQKDOOJ-RBSFLKMASA-N 2 2 360.462 0.509 20 0 FCADLP CCc1noc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488590 1216562577 /nfs/dbraw/zinc/56/25/77/1216562577.db2.gz HXXMYKAYZJUMKW-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CCc1noc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488590 1216562585 /nfs/dbraw/zinc/56/25/85/1216562585.db2.gz HXXMYKAYZJUMKW-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488590 1216562590 /nfs/dbraw/zinc/56/25/90/1216562590.db2.gz HXXMYKAYZJUMKW-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488590 1216562594 /nfs/dbraw/zinc/56/25/94/1216562594.db2.gz HXXMYKAYZJUMKW-QLFBSQMISA-N 2 2 365.478 0.822 20 0 FCADLP CN(C(=O)c1cccc(-n2cncn2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827347654 1216589310 /nfs/dbraw/zinc/58/93/10/1216589310.db2.gz SBAZKQGISUJPQB-MRXNPFEDSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1cccc(-n2cncn2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827347654 1216589317 /nfs/dbraw/zinc/58/93/17/1216589317.db2.gz SBAZKQGISUJPQB-MRXNPFEDSA-N 2 2 369.473 0.903 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223116090 1225682890 /nfs/dbraw/zinc/68/28/90/1225682890.db2.gz SFFRYFVYEJRKNP-SJORKVTESA-N 2 2 359.474 0.641 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001223116090 1225682895 /nfs/dbraw/zinc/68/28/95/1225682895.db2.gz SFFRYFVYEJRKNP-SJORKVTESA-N 2 2 359.474 0.641 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001068610901 1216750026 /nfs/dbraw/zinc/75/00/26/1216750026.db2.gz VATHEDWMYNMTMY-NMFUWQPSSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001068610901 1216750028 /nfs/dbraw/zinc/75/00/28/1216750028.db2.gz VATHEDWMYNMTMY-NMFUWQPSSA-N 2 2 361.494 0.893 20 0 FCADLP CCC(=O)C[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001276873421 1225692350 /nfs/dbraw/zinc/69/23/50/1225692350.db2.gz LRWYMOFMMGLBEO-UHFFFAOYSA-N 2 2 364.534 0.918 20 0 FCADLP CCC(=O)C[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276873421 1225692351 /nfs/dbraw/zinc/69/23/51/1225692351.db2.gz LRWYMOFMMGLBEO-UHFFFAOYSA-N 2 2 364.534 0.918 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930362 1216849741 /nfs/dbraw/zinc/84/97/41/1216849741.db2.gz FLLYHJDUJUGNFW-FPCVCCKLSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930362 1216849742 /nfs/dbraw/zinc/84/97/42/1216849742.db2.gz FLLYHJDUJUGNFW-FPCVCCKLSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930362 1216849745 /nfs/dbraw/zinc/84/97/45/1216849745.db2.gz FLLYHJDUJUGNFW-FPCVCCKLSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930362 1216849747 /nfs/dbraw/zinc/84/97/47/1216849747.db2.gz FLLYHJDUJUGNFW-FPCVCCKLSA-N 2 2 373.461 0.456 20 0 FCADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958942 1216867750 /nfs/dbraw/zinc/86/77/50/1216867750.db2.gz URQHKDSYZJYFLP-WCXIOVBPSA-N 2 2 362.478 0.305 20 0 FCADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958942 1216867753 /nfs/dbraw/zinc/86/77/53/1216867753.db2.gz URQHKDSYZJYFLP-WCXIOVBPSA-N 2 2 362.478 0.305 20 0 FCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958942 1216867754 /nfs/dbraw/zinc/86/77/54/1216867754.db2.gz URQHKDSYZJYFLP-WCXIOVBPSA-N 2 2 362.478 0.305 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958942 1216867756 /nfs/dbraw/zinc/86/77/56/1216867756.db2.gz URQHKDSYZJYFLP-WCXIOVBPSA-N 2 2 362.478 0.305 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963873 1216870747 /nfs/dbraw/zinc/87/07/47/1216870747.db2.gz SEBNUBJFSLZYEB-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963873 1216870748 /nfs/dbraw/zinc/87/07/48/1216870748.db2.gz SEBNUBJFSLZYEB-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029141 1216907685 /nfs/dbraw/zinc/90/76/85/1216907685.db2.gz XDRNDHVYVZPKAK-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029141 1216907688 /nfs/dbraw/zinc/90/76/88/1216907688.db2.gz XDRNDHVYVZPKAK-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029141 1216907691 /nfs/dbraw/zinc/90/76/91/1216907691.db2.gz XDRNDHVYVZPKAK-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070029141 1216907695 /nfs/dbraw/zinc/90/76/95/1216907695.db2.gz XDRNDHVYVZPKAK-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070040816 1216916826 /nfs/dbraw/zinc/91/68/26/1216916826.db2.gz HIXWRLXCBJHDJW-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001070040816 1216916828 /nfs/dbraw/zinc/91/68/28/1216916828.db2.gz HIXWRLXCBJHDJW-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001070040911 1216916850 /nfs/dbraw/zinc/91/68/50/1216916850.db2.gz LPRCVLOSOKCJKF-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001070040911 1216916856 /nfs/dbraw/zinc/91/68/56/1216916856.db2.gz LPRCVLOSOKCJKF-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)C1CC1 ZINC001223572886 1225718145 /nfs/dbraw/zinc/71/81/45/1225718145.db2.gz VNAAMDQAKWBSHJ-UNEWFSDZSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)C1CC1 ZINC001223572886 1225718151 /nfs/dbraw/zinc/71/81/51/1225718151.db2.gz VNAAMDQAKWBSHJ-UNEWFSDZSA-N 2 2 359.474 0.790 20 0 FCADLP Cc1nonc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276907216 1225722429 /nfs/dbraw/zinc/72/24/29/1225722429.db2.gz SYTWSKYGIHVZQK-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1nonc1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276907216 1225722432 /nfs/dbraw/zinc/72/24/32/1225722432.db2.gz SYTWSKYGIHVZQK-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1nonc1C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276907215 1225722560 /nfs/dbraw/zinc/72/25/60/1225722560.db2.gz SYTWSKYGIHVZQK-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1nonc1C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276907215 1225722564 /nfs/dbraw/zinc/72/25/64/1225722564.db2.gz SYTWSKYGIHVZQK-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001041250236 1217253875 /nfs/dbraw/zinc/25/38/75/1217253875.db2.gz AVVBJTJQQPMUEB-HUUCEWRRSA-N 2 2 358.446 0.779 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc(C2CC2)[nH+]1 ZINC001041435059 1217331422 /nfs/dbraw/zinc/33/14/22/1217331422.db2.gz DHCMCZSJTNHXEZ-HZPDHXFCSA-N 2 2 371.485 0.957 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001042633708 1217437802 /nfs/dbraw/zinc/43/78/02/1217437802.db2.gz IPCCEHFCFLHOIX-BPLDGKMQSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001042633708 1217437805 /nfs/dbraw/zinc/43/78/05/1217437805.db2.gz IPCCEHFCFLHOIX-BPLDGKMQSA-N 2 2 357.462 0.789 20 0 FCADLP Cc1ccnc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916468 1225745763 /nfs/dbraw/zinc/74/57/63/1225745763.db2.gz JYQLOSNIKRZFHL-SJORKVTESA-N 2 2 361.490 0.786 20 0 FCADLP Cc1ccnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916468 1225745767 /nfs/dbraw/zinc/74/57/67/1225745767.db2.gz JYQLOSNIKRZFHL-SJORKVTESA-N 2 2 361.490 0.786 20 0 FCADLP CO[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001042834375 1217477437 /nfs/dbraw/zinc/47/74/37/1217477437.db2.gz OPMLOUZLGSCEKA-HZPDHXFCSA-N 2 2 358.446 0.927 20 0 FCADLP CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001043011235 1217553589 /nfs/dbraw/zinc/55/35/89/1217553589.db2.gz IQKWFHDTUOBPDF-QHSBEEBCSA-N 2 2 373.461 0.023 20 0 FCADLP CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001043011235 1217553596 /nfs/dbraw/zinc/55/35/96/1217553596.db2.gz IQKWFHDTUOBPDF-QHSBEEBCSA-N 2 2 373.461 0.023 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043253430 1217612908 /nfs/dbraw/zinc/61/29/08/1217612908.db2.gz ZRFUVVVWMYGQDC-UMVBOHGHSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043253430 1217612911 /nfs/dbraw/zinc/61/29/11/1217612911.db2.gz ZRFUVVVWMYGQDC-UMVBOHGHSA-N 2 2 357.462 0.964 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043874933 1217764449 /nfs/dbraw/zinc/76/44/49/1217764449.db2.gz LVODHELDBIUJCY-ZACQAIPSSA-N 2 2 359.474 0.424 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043874933 1217764452 /nfs/dbraw/zinc/76/44/52/1217764452.db2.gz LVODHELDBIUJCY-ZACQAIPSSA-N 2 2 359.474 0.424 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044326251 1217834949 /nfs/dbraw/zinc/83/49/49/1217834949.db2.gz CMIGPSQBDZRVKP-CVEARBPZSA-N 2 2 352.398 0.721 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001045090825 1217898934 /nfs/dbraw/zinc/89/89/34/1217898934.db2.gz HDMXXAVJATYBPR-QLFBSQMISA-N 2 2 364.494 0.728 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001045090825 1217898937 /nfs/dbraw/zinc/89/89/37/1217898937.db2.gz HDMXXAVJATYBPR-QLFBSQMISA-N 2 2 364.494 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2ccn(C)n2)O1 ZINC001045802819 1217961527 /nfs/dbraw/zinc/96/15/27/1217961527.db2.gz RZGUGQZEYDYWHJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2ccn(C)n2)O1 ZINC001045802819 1217961529 /nfs/dbraw/zinc/96/15/29/1217961529.db2.gz RZGUGQZEYDYWHJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccn(C)n2)O1 ZINC001045802819 1217961535 /nfs/dbraw/zinc/96/15/35/1217961535.db2.gz RZGUGQZEYDYWHJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccn(C)n2)O1 ZINC001045802819 1217961537 /nfs/dbraw/zinc/96/15/37/1217961537.db2.gz RZGUGQZEYDYWHJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900173190 1217966853 /nfs/dbraw/zinc/96/68/53/1217966853.db2.gz HILDVMBONBMOKL-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000900312866 1217979262 /nfs/dbraw/zinc/97/92/62/1217979262.db2.gz HJNUUBWOMFVUPA-YLJYHZDGSA-N 2 2 374.485 0.397 20 0 FCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000900312866 1217979272 /nfs/dbraw/zinc/97/92/72/1217979272.db2.gz HJNUUBWOMFVUPA-YLJYHZDGSA-N 2 2 374.485 0.397 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4ccon4)C3)CC2)CC[N@@H+]1C ZINC001046032514 1217987702 /nfs/dbraw/zinc/98/77/02/1217987702.db2.gz KZFGBYMBWQUNSF-BPQIPLTHSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4ccon4)C3)CC2)CC[N@H+]1C ZINC001046032514 1217987710 /nfs/dbraw/zinc/98/77/10/1217987710.db2.gz KZFGBYMBWQUNSF-BPQIPLTHSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccon4)C3)CC2)CC[NH+]1C ZINC001046032514 1217987716 /nfs/dbraw/zinc/98/77/16/1217987716.db2.gz KZFGBYMBWQUNSF-BPQIPLTHSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccon4)C3)CC2)CC[NH+]1C ZINC001046032514 1217987724 /nfs/dbraw/zinc/98/77/24/1217987724.db2.gz KZFGBYMBWQUNSF-BPQIPLTHSA-N 2 2 361.490 0.733 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900696781 1218027039 /nfs/dbraw/zinc/02/70/39/1218027039.db2.gz WQVCHEZNPKTCLX-LJQANCHMSA-N 2 2 367.582 0.792 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001096090885 1218029504 /nfs/dbraw/zinc/02/95/04/1218029504.db2.gz ZSJKLSDOFFRPPT-UGUYLWEFSA-N 2 2 359.474 0.959 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001096090885 1218029508 /nfs/dbraw/zinc/02/95/08/1218029508.db2.gz ZSJKLSDOFFRPPT-UGUYLWEFSA-N 2 2 359.474 0.959 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCN2CCCC2=O)C1 ZINC001046633797 1218059931 /nfs/dbraw/zinc/05/99/31/1218059931.db2.gz ZFKSVQZXAPMILY-SPYBWZPUSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046633797 1218059933 /nfs/dbraw/zinc/05/99/33/1218059933.db2.gz ZFKSVQZXAPMILY-SPYBWZPUSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046632622 1218059944 /nfs/dbraw/zinc/05/99/44/1218059944.db2.gz FYKHIUXQMMYZNS-LBTNJELSSA-N 2 2 360.462 0.129 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCN2CCNC2=O)C1 ZINC001046632622 1218059947 /nfs/dbraw/zinc/05/99/47/1218059947.db2.gz FYKHIUXQMMYZNS-LBTNJELSSA-N 2 2 360.462 0.129 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001046632752 1218059971 /nfs/dbraw/zinc/05/99/71/1218059971.db2.gz BOFRCWZRVAVFCD-REBRKWNGSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001046632752 1218059973 /nfs/dbraw/zinc/05/99/73/1218059973.db2.gz BOFRCWZRVAVFCD-REBRKWNGSA-N 2 2 361.494 0.893 20 0 FCADLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ccn1 ZINC001047385215 1218137579 /nfs/dbraw/zinc/13/75/79/1218137579.db2.gz AWZZUMMGGUBNJR-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)ccn1 ZINC001047385215 1218137582 /nfs/dbraw/zinc/13/75/82/1218137582.db2.gz AWZZUMMGGUBNJR-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1cc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC001047385215 1218137586 /nfs/dbraw/zinc/13/75/86/1218137586.db2.gz AWZZUMMGGUBNJR-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1cc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC001047385215 1218137588 /nfs/dbraw/zinc/13/75/88/1218137588.db2.gz AWZZUMMGGUBNJR-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001047425870 1218142416 /nfs/dbraw/zinc/14/24/16/1218142416.db2.gz BRELAVHTLCBKPH-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001047425870 1218142423 /nfs/dbraw/zinc/14/24/23/1218142423.db2.gz BRELAVHTLCBKPH-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001047425870 1218142427 /nfs/dbraw/zinc/14/24/27/1218142427.db2.gz BRELAVHTLCBKPH-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001047425870 1218142433 /nfs/dbraw/zinc/14/24/33/1218142433.db2.gz BRELAVHTLCBKPH-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001096364033 1218267868 /nfs/dbraw/zinc/26/78/68/1218267868.db2.gz HQMCMJOWDDCHBX-NQZOLGFYSA-N 2 2 357.458 0.713 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001096364033 1218267874 /nfs/dbraw/zinc/26/78/74/1218267874.db2.gz HQMCMJOWDDCHBX-NQZOLGFYSA-N 2 2 357.458 0.713 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1)[NH+](C)C ZINC001049437920 1218449068 /nfs/dbraw/zinc/44/90/68/1218449068.db2.gz NTUCNUBJTKNUMH-YCPHGPKFSA-N 2 2 371.489 0.988 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001096548931 1218477015 /nfs/dbraw/zinc/47/70/15/1218477015.db2.gz QJSDRPXMGUDOSU-IKGGRYGDSA-N 2 2 357.462 0.822 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001096548931 1218477022 /nfs/dbraw/zinc/47/70/22/1218477022.db2.gz QJSDRPXMGUDOSU-IKGGRYGDSA-N 2 2 357.462 0.822 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547215 1218483803 /nfs/dbraw/zinc/48/38/03/1218483803.db2.gz BTNFUPXJGZZULO-MXASKKJJSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547215 1218483805 /nfs/dbraw/zinc/48/38/05/1218483805.db2.gz BTNFUPXJGZZULO-MXASKKJJSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnnn2C)O1 ZINC001049547215 1218483810 /nfs/dbraw/zinc/48/38/10/1218483810.db2.gz BTNFUPXJGZZULO-MXASKKJJSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cnnn2C)O1 ZINC001049547215 1218483815 /nfs/dbraw/zinc/48/38/15/1218483815.db2.gz BTNFUPXJGZZULO-MXASKKJJSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112716 1218691419 /nfs/dbraw/zinc/69/14/19/1218691419.db2.gz AMQRUSFKAMDIFS-DZUCGIPZSA-N 2 2 373.501 0.960 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112716 1218691424 /nfs/dbraw/zinc/69/14/24/1218691424.db2.gz AMQRUSFKAMDIFS-DZUCGIPZSA-N 2 2 373.501 0.960 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001097364610 1218800073 /nfs/dbraw/zinc/80/00/73/1218800073.db2.gz ZFDYMYYEZRBOPE-IDCNUPLLSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001097364610 1218800075 /nfs/dbraw/zinc/80/00/75/1218800075.db2.gz ZFDYMYYEZRBOPE-IDCNUPLLSA-N 2 2 371.485 0.789 20 0 FCADLP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C[NH+](C)C)C3)C1=O ZINC001097734738 1218842677 /nfs/dbraw/zinc/84/26/77/1218842677.db2.gz TVCWFYMHRWHZKZ-WCVJEAGWSA-N 2 2 360.458 0.907 20 0 FCADLP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C[NH+](C)C)C3)C1=O ZINC001097734738 1218842678 /nfs/dbraw/zinc/84/26/78/1218842678.db2.gz TVCWFYMHRWHZKZ-WCVJEAGWSA-N 2 2 360.458 0.907 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N(C)C)C2 ZINC001097858771 1218853691 /nfs/dbraw/zinc/85/36/91/1218853691.db2.gz XNKXMHCZLUQJKV-ABFRBSLYSA-N 2 2 359.474 0.564 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N(C)C)C2 ZINC001097858771 1218853692 /nfs/dbraw/zinc/85/36/92/1218853692.db2.gz XNKXMHCZLUQJKV-ABFRBSLYSA-N 2 2 359.474 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@@H+]1C ZINC001054134492 1218899054 /nfs/dbraw/zinc/89/90/54/1218899054.db2.gz FRLDHKDKPRUOCC-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@H+]1C ZINC001054134492 1218899055 /nfs/dbraw/zinc/89/90/55/1218899055.db2.gz FRLDHKDKPRUOCC-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001054134492 1218899056 /nfs/dbraw/zinc/89/90/56/1218899056.db2.gz FRLDHKDKPRUOCC-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001054134492 1218899057 /nfs/dbraw/zinc/89/90/57/1218899057.db2.gz FRLDHKDKPRUOCC-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000826846351 1218908183 /nfs/dbraw/zinc/90/81/83/1218908183.db2.gz TVLSXKNZVORZTP-MRXNPFEDSA-N 2 2 355.442 0.966 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000826846351 1218908185 /nfs/dbraw/zinc/90/81/85/1218908185.db2.gz TVLSXKNZVORZTP-MRXNPFEDSA-N 2 2 355.442 0.966 20 0 FCADLP Nc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c1 ZINC001277192188 1225867621 /nfs/dbraw/zinc/86/76/21/1225867621.db2.gz UVZGDODPJWEVQE-LJQANCHMSA-N 2 2 355.442 0.969 20 0 FCADLP Nc1cccc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c1 ZINC001277192188 1225867622 /nfs/dbraw/zinc/86/76/22/1225867622.db2.gz UVZGDODPJWEVQE-LJQANCHMSA-N 2 2 355.442 0.969 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cn3cc[nH+]c3)CCOCC2)CC[N@@H+]1C ZINC001070133710 1219210210 /nfs/dbraw/zinc/21/02/10/1219210210.db2.gz MABSLISRXYOUOL-HUUCEWRRSA-N 2 2 363.462 0.005 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cn3cc[nH+]c3)CCOCC2)CC[N@H+]1C ZINC001070133710 1219210212 /nfs/dbraw/zinc/21/02/12/1219210212.db2.gz MABSLISRXYOUOL-HUUCEWRRSA-N 2 2 363.462 0.005 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)co1 ZINC001070197262 1219287795 /nfs/dbraw/zinc/28/77/95/1219287795.db2.gz XIIXVICVEAHWIP-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)co1 ZINC001070197262 1219287797 /nfs/dbraw/zinc/28/77/97/1219287797.db2.gz XIIXVICVEAHWIP-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070206757 1219293523 /nfs/dbraw/zinc/29/35/23/1219293523.db2.gz RWNKTWKKOZHPGJ-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070206757 1219293527 /nfs/dbraw/zinc/29/35/27/1219293527.db2.gz RWNKTWKKOZHPGJ-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001227673259 1225881688 /nfs/dbraw/zinc/88/16/88/1225881688.db2.gz MEYZNXNKKVSJNC-OAGGEKHMSA-N 2 2 361.490 0.991 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070217877 1219300471 /nfs/dbraw/zinc/30/04/71/1219300471.db2.gz WTDVVPCQMLYOFJ-CVEARBPZSA-N 2 2 356.430 0.676 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070234981 1219310884 /nfs/dbraw/zinc/31/08/84/1219310884.db2.gz RRIFKVFHHSZZNL-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)on1 ZINC001070327888 1219378305 /nfs/dbraw/zinc/37/83/05/1219378305.db2.gz HGPVDVPEHLZCQY-CVEARBPZSA-N 2 2 359.434 0.212 20 0 FCADLP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227840095 1225888197 /nfs/dbraw/zinc/88/81/97/1225888197.db2.gz YMVXJSKJZXFUFO-HUUCEWRRSA-N 2 2 360.466 0.887 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001070424172 1219411327 /nfs/dbraw/zinc/41/13/27/1219411327.db2.gz BZYITLDMXFVNEB-NWANDNLSSA-N 2 2 358.446 0.345 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001070424172 1219411330 /nfs/dbraw/zinc/41/13/30/1219411330.db2.gz BZYITLDMXFVNEB-NWANDNLSSA-N 2 2 358.446 0.345 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070555772 1219467624 /nfs/dbraw/zinc/46/76/24/1219467624.db2.gz RRGANTJLELGCHO-KCQAQPDRSA-N 2 2 360.462 0.386 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919785 1219574500 /nfs/dbraw/zinc/57/45/00/1219574500.db2.gz ULMUPAUDJRLCEK-XHSDSOJGSA-N 2 2 361.446 0.714 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919785 1219574502 /nfs/dbraw/zinc/57/45/02/1219574502.db2.gz ULMUPAUDJRLCEK-XHSDSOJGSA-N 2 2 361.446 0.714 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1 ZINC001071095871 1219605642 /nfs/dbraw/zinc/60/56/42/1219605642.db2.gz USQIRIYKPAYOJR-GMBSWORKSA-N 2 2 362.474 0.974 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[NH+](CCCF)CC3=O)C2)CC[N@@H+]1C ZINC001071265388 1219611532 /nfs/dbraw/zinc/61/15/32/1219611532.db2.gz GURAXANRJNANIA-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[NH+](CCCF)CC3=O)C2)CC[N@H+]1C ZINC001071265388 1219611534 /nfs/dbraw/zinc/61/15/34/1219611534.db2.gz GURAXANRJNANIA-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[N@H+](CCCF)CC3=O)C2)CC[NH+]1C ZINC001071265388 1219611537 /nfs/dbraw/zinc/61/15/37/1219611537.db2.gz GURAXANRJNANIA-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CC[N@@H+](CCCF)CC3=O)C2)CC[NH+]1C ZINC001071265388 1219611541 /nfs/dbraw/zinc/61/15/41/1219611541.db2.gz GURAXANRJNANIA-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP Cc1noc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850461 1219624762 /nfs/dbraw/zinc/62/47/62/1219624762.db2.gz YVMNFPZEKVLGPE-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1noc([C@@H](C)[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850461 1219624763 /nfs/dbraw/zinc/62/47/63/1219624763.db2.gz YVMNFPZEKVLGPE-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1noc([C@@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850461 1219624767 /nfs/dbraw/zinc/62/47/67/1219624767.db2.gz YVMNFPZEKVLGPE-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1noc([C@@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850461 1219624769 /nfs/dbraw/zinc/62/47/69/1219624769.db2.gz YVMNFPZEKVLGPE-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccnn1C)C2 ZINC001072994687 1219629707 /nfs/dbraw/zinc/62/97/07/1219629707.db2.gz MUIRSSYGFIXZHH-HZPDHXFCSA-N 2 2 354.458 0.992 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccnn1C)C2 ZINC001072994687 1219629710 /nfs/dbraw/zinc/62/97/10/1219629710.db2.gz MUIRSSYGFIXZHH-HZPDHXFCSA-N 2 2 354.458 0.992 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001098230237 1219744695 /nfs/dbraw/zinc/74/46/95/1219744695.db2.gz BHLVUYDHJVFKDW-UNEWFSDZSA-N 2 2 357.458 0.761 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001098230237 1219744698 /nfs/dbraw/zinc/74/46/98/1219744698.db2.gz BHLVUYDHJVFKDW-UNEWFSDZSA-N 2 2 357.458 0.761 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncn2C)C3)O1 ZINC001098901625 1219856423 /nfs/dbraw/zinc/85/64/23/1219856423.db2.gz FDYSJJBGXGGNFB-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncn2C)C3)O1 ZINC001098901625 1219856426 /nfs/dbraw/zinc/85/64/26/1219856426.db2.gz FDYSJJBGXGGNFB-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cncn2C)C3)O1 ZINC001098901625 1219856430 /nfs/dbraw/zinc/85/64/30/1219856430.db2.gz FDYSJJBGXGGNFB-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cncn2C)C3)O1 ZINC001098901625 1219856431 /nfs/dbraw/zinc/85/64/31/1219856431.db2.gz FDYSJJBGXGGNFB-GFIVTLFCSA-N 2 2 361.490 0.610 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)C1 ZINC001098994675 1219883542 /nfs/dbraw/zinc/88/35/42/1219883542.db2.gz UOCDLMWVHLYPKR-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)C1 ZINC001098994675 1219883545 /nfs/dbraw/zinc/88/35/45/1219883545.db2.gz UOCDLMWVHLYPKR-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C)C3)C1 ZINC001098994675 1219883548 /nfs/dbraw/zinc/88/35/48/1219883548.db2.gz UOCDLMWVHLYPKR-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001098994675 1219883552 /nfs/dbraw/zinc/88/35/52/1219883552.db2.gz UOCDLMWVHLYPKR-BXWFABGCSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111465493 1219899481 /nfs/dbraw/zinc/89/94/81/1219899481.db2.gz XYKFBKDOBIPZCK-TWMKSMIVSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111465493 1219899483 /nfs/dbraw/zinc/89/94/83/1219899483.db2.gz XYKFBKDOBIPZCK-TWMKSMIVSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111465493 1219899486 /nfs/dbraw/zinc/89/94/86/1219899486.db2.gz XYKFBKDOBIPZCK-TWMKSMIVSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111465493 1219899490 /nfs/dbraw/zinc/89/94/90/1219899490.db2.gz XYKFBKDOBIPZCK-TWMKSMIVSA-N 2 2 366.506 0.343 20 0 FCADLP Cc1nonc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001099402410 1219982948 /nfs/dbraw/zinc/98/29/48/1219982948.db2.gz BKHMDXDMZMSHFC-LESCRADOSA-N 2 2 363.462 0.427 20 0 FCADLP Cc1nonc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001099402410 1219982952 /nfs/dbraw/zinc/98/29/52/1219982952.db2.gz BKHMDXDMZMSHFC-LESCRADOSA-N 2 2 363.462 0.427 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001099473120 1220007918 /nfs/dbraw/zinc/00/79/18/1220007918.db2.gz XCBZKBYVWCWRGS-FCEWJHQRSA-N 2 2 359.474 0.770 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099526824 1220023473 /nfs/dbraw/zinc/02/34/73/1220023473.db2.gz SXVBYWNOAJPOMI-QOKNQOGYSA-N 2 2 359.474 0.460 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)c1nncn1C ZINC001099540824 1220027746 /nfs/dbraw/zinc/02/77/46/1220027746.db2.gz DRUDDQLGHULTAH-MPGHIAIKSA-N 2 2 357.462 0.991 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001101277629 1220263343 /nfs/dbraw/zinc/26/33/43/1220263343.db2.gz PZPIIYCZOJGMHY-GJYPPUQNSA-N 2 2 364.490 0.714 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001101277629 1220263347 /nfs/dbraw/zinc/26/33/47/1220263347.db2.gz PZPIIYCZOJGMHY-GJYPPUQNSA-N 2 2 364.490 0.714 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101282850 1220265861 /nfs/dbraw/zinc/26/58/61/1220265861.db2.gz HVTOLXJWGKWCKM-KHYOSLBOSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101282850 1220265867 /nfs/dbraw/zinc/26/58/67/1220265867.db2.gz HVTOLXJWGKWCKM-KHYOSLBOSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101286153 1220268174 /nfs/dbraw/zinc/26/81/74/1220268174.db2.gz LHRMECAYHJPGSW-ACJLOTCBSA-N 2 2 363.462 0.266 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001101286153 1220268178 /nfs/dbraw/zinc/26/81/78/1220268178.db2.gz LHRMECAYHJPGSW-ACJLOTCBSA-N 2 2 363.462 0.266 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367870 1220305789 /nfs/dbraw/zinc/30/57/89/1220305789.db2.gz PTQFSSBECPSQQE-GPINWOSQSA-N 2 2 359.474 0.440 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367870 1220305792 /nfs/dbraw/zinc/30/57/92/1220305792.db2.gz PTQFSSBECPSQQE-GPINWOSQSA-N 2 2 359.474 0.440 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393155 1220319342 /nfs/dbraw/zinc/31/93/42/1220319342.db2.gz ZAADJGISUGCAOE-APWZRJJASA-N 2 2 366.506 0.015 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393155 1220319346 /nfs/dbraw/zinc/31/93/46/1220319346.db2.gz ZAADJGISUGCAOE-APWZRJJASA-N 2 2 366.506 0.015 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430312 1220340516 /nfs/dbraw/zinc/34/05/16/1220340516.db2.gz YMEVCGOXKDSKDG-KHYOSLBOSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430312 1220340522 /nfs/dbraw/zinc/34/05/22/1220340522.db2.gz YMEVCGOXKDSKDG-KHYOSLBOSA-N 2 2 361.490 0.658 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461484 1220359015 /nfs/dbraw/zinc/35/90/15/1220359015.db2.gz DSOHLUCPGGWERR-OGWOLHLISA-N 2 2 361.490 0.887 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461484 1220359019 /nfs/dbraw/zinc/35/90/19/1220359019.db2.gz DSOHLUCPGGWERR-OGWOLHLISA-N 2 2 361.490 0.887 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487087 1220371895 /nfs/dbraw/zinc/37/18/95/1220371895.db2.gz MXWOLDRBBHTDKW-APWZRJJASA-N 2 2 361.490 0.968 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487087 1220371899 /nfs/dbraw/zinc/37/18/99/1220371899.db2.gz MXWOLDRBBHTDKW-APWZRJJASA-N 2 2 361.490 0.968 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488286 1220373302 /nfs/dbraw/zinc/37/33/02/1220373302.db2.gz XFHVVQVYKZWBFO-MDZRGWNJSA-N 2 2 361.490 0.919 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488286 1220373305 /nfs/dbraw/zinc/37/33/05/1220373305.db2.gz XFHVVQVYKZWBFO-MDZRGWNJSA-N 2 2 361.490 0.919 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927013 1220435062 /nfs/dbraw/zinc/43/50/62/1220435062.db2.gz USMXMKBNIAQGKA-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927013 1220435065 /nfs/dbraw/zinc/43/50/65/1220435065.db2.gz USMXMKBNIAQGKA-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032270 1220470663 /nfs/dbraw/zinc/47/06/63/1220470663.db2.gz YVCQGERDIAPFFX-FMKPAKJESA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032270 1220470667 /nfs/dbraw/zinc/47/06/67/1220470667.db2.gz YVCQGERDIAPFFX-FMKPAKJESA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032270 1220470671 /nfs/dbraw/zinc/47/06/71/1220470671.db2.gz YVCQGERDIAPFFX-FMKPAKJESA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032270 1220470672 /nfs/dbraw/zinc/47/06/72/1220470672.db2.gz YVCQGERDIAPFFX-FMKPAKJESA-N 2 2 357.462 0.805 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047922 1220476858 /nfs/dbraw/zinc/47/68/58/1220476858.db2.gz YDCIQKRVJVAJRV-HUUCEWRRSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047922 1220476860 /nfs/dbraw/zinc/47/68/60/1220476860.db2.gz YDCIQKRVJVAJRV-HUUCEWRRSA-N 2 2 363.510 0.752 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050158 1220478218 /nfs/dbraw/zinc/47/82/18/1220478218.db2.gz YHWSODFWULXDDC-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050158 1220478223 /nfs/dbraw/zinc/47/82/23/1220478223.db2.gz YHWSODFWULXDDC-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102050158 1220478226 /nfs/dbraw/zinc/47/82/26/1220478226.db2.gz YHWSODFWULXDDC-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102050158 1220478230 /nfs/dbraw/zinc/47/82/30/1220478230.db2.gz YHWSODFWULXDDC-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]2C)c[nH+]1 ZINC001102080096 1220490314 /nfs/dbraw/zinc/49/03/14/1220490314.db2.gz QVKMAVUTAFIAAE-BMFZPTHFSA-N 2 2 361.490 0.889 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2C)c[nH+]1 ZINC001102080096 1220490316 /nfs/dbraw/zinc/49/03/16/1220490316.db2.gz QVKMAVUTAFIAAE-BMFZPTHFSA-N 2 2 361.490 0.889 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105499 1220497120 /nfs/dbraw/zinc/49/71/20/1220497120.db2.gz SPSAFYVDVOXOLJ-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105499 1220497127 /nfs/dbraw/zinc/49/71/27/1220497127.db2.gz SPSAFYVDVOXOLJ-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102156254 1220527372 /nfs/dbraw/zinc/52/73/72/1220527372.db2.gz PAXCOEFWJMMYOD-UKRRQHHQSA-N 2 2 371.445 0.304 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1C ZINC001102156254 1220527376 /nfs/dbraw/zinc/52/73/76/1220527376.db2.gz PAXCOEFWJMMYOD-UKRRQHHQSA-N 2 2 371.445 0.304 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175430 1220535745 /nfs/dbraw/zinc/53/57/45/1220535745.db2.gz DGOCKMLLWMHNOV-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175430 1220535749 /nfs/dbraw/zinc/53/57/49/1220535749.db2.gz DGOCKMLLWMHNOV-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102176921 1220537684 /nfs/dbraw/zinc/53/76/84/1220537684.db2.gz ALDDABZAIYWKTP-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102176921 1220537690 /nfs/dbraw/zinc/53/76/90/1220537690.db2.gz ALDDABZAIYWKTP-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368346 1220595042 /nfs/dbraw/zinc/59/50/42/1220595042.db2.gz QECLEIYAAHUFQW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102368346 1220595052 /nfs/dbraw/zinc/59/50/52/1220595052.db2.gz QECLEIYAAHUFQW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102368346 1220595063 /nfs/dbraw/zinc/59/50/63/1220595063.db2.gz QECLEIYAAHUFQW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102368346 1220595070 /nfs/dbraw/zinc/59/50/70/1220595070.db2.gz QECLEIYAAHUFQW-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414976 1220614537 /nfs/dbraw/zinc/61/45/37/1220614537.db2.gz SSVFIGVSQABDAY-BZUAXINKSA-N 2 2 362.478 0.544 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414976 1220614542 /nfs/dbraw/zinc/61/45/42/1220614542.db2.gz SSVFIGVSQABDAY-BZUAXINKSA-N 2 2 362.478 0.544 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102428833 1220622275 /nfs/dbraw/zinc/62/22/75/1220622275.db2.gz VCMGBPOYOPPPOR-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102428833 1220622280 /nfs/dbraw/zinc/62/22/80/1220622280.db2.gz VCMGBPOYOPPPOR-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482472 1220648691 /nfs/dbraw/zinc/64/86/91/1220648691.db2.gz WBZQHDXKFJWXCK-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482472 1220648693 /nfs/dbraw/zinc/64/86/93/1220648693.db2.gz WBZQHDXKFJWXCK-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)nn1 ZINC001229141379 1225983622 /nfs/dbraw/zinc/98/36/22/1225983622.db2.gz FAZXRHYHXKRMOM-IAGOWNOFSA-N 2 2 364.494 0.537 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102531773 1220684604 /nfs/dbraw/zinc/68/46/04/1220684604.db2.gz FIACMEACWJWWEV-CZUORRHYSA-N 2 2 361.490 0.861 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C ZINC001102531773 1220684608 /nfs/dbraw/zinc/68/46/08/1220684608.db2.gz FIACMEACWJWWEV-CZUORRHYSA-N 2 2 361.490 0.861 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102531800 1220685236 /nfs/dbraw/zinc/68/52/36/1220685236.db2.gz GCGQWFOMOXXCKG-CZUORRHYSA-N 2 2 361.490 0.813 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001102531800 1220685237 /nfs/dbraw/zinc/68/52/37/1220685237.db2.gz GCGQWFOMOXXCKG-CZUORRHYSA-N 2 2 361.490 0.813 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540529 1220688818 /nfs/dbraw/zinc/68/88/18/1220688818.db2.gz PEMHBDOWVZOILF-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540529 1220688820 /nfs/dbraw/zinc/68/88/20/1220688820.db2.gz PEMHBDOWVZOILF-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580191 1220702453 /nfs/dbraw/zinc/70/24/53/1220702453.db2.gz JZYDOFLXDOCCGC-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580191 1220702461 /nfs/dbraw/zinc/70/24/61/1220702461.db2.gz JZYDOFLXDOCCGC-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583133 1220705726 /nfs/dbraw/zinc/70/57/26/1220705726.db2.gz WGOWXMRRIRTADD-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583133 1220705732 /nfs/dbraw/zinc/70/57/32/1220705732.db2.gz WGOWXMRRIRTADD-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613726 1220730992 /nfs/dbraw/zinc/73/09/92/1220730992.db2.gz RLDBCIGMOXAOCT-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613726 1220731002 /nfs/dbraw/zinc/73/10/02/1220731002.db2.gz RLDBCIGMOXAOCT-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612842 1220731574 /nfs/dbraw/zinc/73/15/74/1220731574.db2.gz ZTEKAHGXSAHPOV-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612842 1220731579 /nfs/dbraw/zinc/73/15/79/1220731579.db2.gz ZTEKAHGXSAHPOV-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926769 1220808272 /nfs/dbraw/zinc/80/82/72/1220808272.db2.gz SXFIESQOBLBVOU-MGPQQGTHSA-N 2 2 360.466 0.701 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926769 1220808274 /nfs/dbraw/zinc/80/82/74/1220808274.db2.gz SXFIESQOBLBVOU-MGPQQGTHSA-N 2 2 360.466 0.701 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977337 1220815868 /nfs/dbraw/zinc/81/58/68/1220815868.db2.gz WLCJNQAOJOSFKD-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977337 1220815870 /nfs/dbraw/zinc/81/58/70/1220815870.db2.gz WLCJNQAOJOSFKD-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977337 1220815873 /nfs/dbraw/zinc/81/58/73/1220815873.db2.gz WLCJNQAOJOSFKD-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977337 1220815874 /nfs/dbraw/zinc/81/58/74/1220815874.db2.gz WLCJNQAOJOSFKD-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162739 1220842102 /nfs/dbraw/zinc/84/21/02/1220842102.db2.gz IIOMEVUKNKPOOB-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162739 1220842105 /nfs/dbraw/zinc/84/21/05/1220842105.db2.gz IIOMEVUKNKPOOB-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258591 1220857376 /nfs/dbraw/zinc/85/73/76/1220857376.db2.gz HPLAPQDFRNLPEH-HUUCEWRRSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258591 1220857378 /nfs/dbraw/zinc/85/73/78/1220857378.db2.gz HPLAPQDFRNLPEH-HUUCEWRRSA-N 2 2 361.490 0.706 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)NCc1ccco1 ZINC001229301427 1225998088 /nfs/dbraw/zinc/99/80/88/1225998088.db2.gz QMYLWWZZNUZYCR-HUUCEWRRSA-N 2 2 359.430 0.879 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472301 1220887668 /nfs/dbraw/zinc/88/76/68/1220887668.db2.gz MPKYIDDBXBWKPX-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472301 1220887672 /nfs/dbraw/zinc/88/76/72/1220887672.db2.gz MPKYIDDBXBWKPX-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473911 1220887821 /nfs/dbraw/zinc/88/78/21/1220887821.db2.gz ZKULNVKVMHLYMR-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473911 1220887827 /nfs/dbraw/zinc/88/78/27/1220887827.db2.gz ZKULNVKVMHLYMR-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)C1CC1 ZINC001103473904 1220888241 /nfs/dbraw/zinc/88/82/41/1220888241.db2.gz ZADLRDABONTXJG-IJEWVQPXSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)C1CC1 ZINC001103473904 1220888242 /nfs/dbraw/zinc/88/82/42/1220888242.db2.gz ZADLRDABONTXJG-IJEWVQPXSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001103637617 1220923180 /nfs/dbraw/zinc/92/31/80/1220923180.db2.gz VHUDDXOLKTWNQX-ZIAGYGMSSA-N 2 2 356.430 0.440 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001103637617 1220923182 /nfs/dbraw/zinc/92/31/82/1220923182.db2.gz VHUDDXOLKTWNQX-ZIAGYGMSSA-N 2 2 356.430 0.440 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637472 1220923337 /nfs/dbraw/zinc/92/33/37/1220923337.db2.gz NTGIRGDYKCEKTA-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637472 1220923342 /nfs/dbraw/zinc/92/33/42/1220923342.db2.gz NTGIRGDYKCEKTA-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001103643899 1220926038 /nfs/dbraw/zinc/92/60/38/1220926038.db2.gz WCIRDGQDTHXZIF-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001103643899 1220926042 /nfs/dbraw/zinc/92/60/42/1220926042.db2.gz WCIRDGQDTHXZIF-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643878 1220926255 /nfs/dbraw/zinc/92/62/55/1220926255.db2.gz USIJHVVPOPZUKP-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643878 1220926258 /nfs/dbraw/zinc/92/62/58/1220926258.db2.gz USIJHVVPOPZUKP-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644751 1220927225 /nfs/dbraw/zinc/92/72/25/1220927225.db2.gz PICWVGOZCKPZJJ-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644751 1220927228 /nfs/dbraw/zinc/92/72/28/1220927228.db2.gz PICWVGOZCKPZJJ-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103676982 1220934713 /nfs/dbraw/zinc/93/47/13/1220934713.db2.gz DNBUIXBKQRDFOC-FRFSOERESA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1C ZINC001103676982 1220934716 /nfs/dbraw/zinc/93/47/16/1220934716.db2.gz DNBUIXBKQRDFOC-FRFSOERESA-N 2 2 361.490 0.956 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751885 1220963881 /nfs/dbraw/zinc/96/38/81/1220963881.db2.gz XEEFUPUSVXIXKD-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751885 1220963882 /nfs/dbraw/zinc/96/38/82/1220963882.db2.gz XEEFUPUSVXIXKD-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779898 1220973226 /nfs/dbraw/zinc/97/32/26/1220973226.db2.gz ONHHQVMPMDHNAB-BRWVUGGUSA-N 2 2 360.462 0.215 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779898 1220973228 /nfs/dbraw/zinc/97/32/28/1220973228.db2.gz ONHHQVMPMDHNAB-BRWVUGGUSA-N 2 2 360.462 0.215 20 0 FCADLP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1 ZINC001104033710 1221001737 /nfs/dbraw/zinc/00/17/37/1221001737.db2.gz DLCYYADIBKGZHO-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1 ZINC001104033710 1221001739 /nfs/dbraw/zinc/00/17/39/1221001739.db2.gz DLCYYADIBKGZHO-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104202793 1221020865 /nfs/dbraw/zinc/02/08/65/1221020865.db2.gz PMMWXUMICMPECJ-FVQBIDKESA-N 2 2 361.494 0.126 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658686 1221055424 /nfs/dbraw/zinc/05/54/24/1221055424.db2.gz LEDGJRXMYDHINQ-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658686 1221055426 /nfs/dbraw/zinc/05/54/26/1221055426.db2.gz LEDGJRXMYDHINQ-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658686 1221055429 /nfs/dbraw/zinc/05/54/29/1221055429.db2.gz LEDGJRXMYDHINQ-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658686 1221055432 /nfs/dbraw/zinc/05/54/32/1221055432.db2.gz LEDGJRXMYDHINQ-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658548 1221055515 /nfs/dbraw/zinc/05/55/15/1221055515.db2.gz FPEPJBSERGMUPN-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658548 1221055517 /nfs/dbraw/zinc/05/55/17/1221055517.db2.gz FPEPJBSERGMUPN-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658548 1221055520 /nfs/dbraw/zinc/05/55/20/1221055520.db2.gz FPEPJBSERGMUPN-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658548 1221055522 /nfs/dbraw/zinc/05/55/22/1221055522.db2.gz FPEPJBSERGMUPN-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001111776949 1221103972 /nfs/dbraw/zinc/10/39/72/1221103972.db2.gz HBYIFONRPYTWFM-KHYOSLBOSA-N 2 2 359.474 0.867 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001111776949 1221103975 /nfs/dbraw/zinc/10/39/75/1221103975.db2.gz HBYIFONRPYTWFM-KHYOSLBOSA-N 2 2 359.474 0.867 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001111776948 1221104255 /nfs/dbraw/zinc/10/42/55/1221104255.db2.gz HBYIFONRPYTWFM-DOXZYTNZSA-N 2 2 359.474 0.867 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001111776948 1221104257 /nfs/dbraw/zinc/10/42/57/1221104257.db2.gz HBYIFONRPYTWFM-DOXZYTNZSA-N 2 2 359.474 0.867 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815952 1221124778 /nfs/dbraw/zinc/12/47/78/1221124778.db2.gz GUWWUFUVCXGZMM-VCBZYWHSSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815952 1221124781 /nfs/dbraw/zinc/12/47/81/1221124781.db2.gz GUWWUFUVCXGZMM-VCBZYWHSSA-N 2 2 361.490 0.800 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902423 1221158434 /nfs/dbraw/zinc/15/84/34/1221158434.db2.gz BHARYTNXFDGYAM-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902423 1221158437 /nfs/dbraw/zinc/15/84/37/1221158437.db2.gz BHARYTNXFDGYAM-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938203 1221178776 /nfs/dbraw/zinc/17/87/76/1221178776.db2.gz PZSRYKIDHKBCFT-QOKNQOGYSA-N 2 2 361.490 0.977 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938203 1221178777 /nfs/dbraw/zinc/17/87/77/1221178777.db2.gz PZSRYKIDHKBCFT-QOKNQOGYSA-N 2 2 361.490 0.977 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947297 1221181275 /nfs/dbraw/zinc/18/12/75/1221181275.db2.gz BAKCVWRTJPTASM-MPGHIAIKSA-N 2 2 363.510 0.974 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947297 1221181280 /nfs/dbraw/zinc/18/12/80/1221181280.db2.gz BAKCVWRTJPTASM-MPGHIAIKSA-N 2 2 363.510 0.974 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001111984910 1221193488 /nfs/dbraw/zinc/19/34/88/1221193488.db2.gz UJBRKSNHIDQZFM-PXNSSMCTSA-N 2 2 362.518 0.969 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001111984910 1221193492 /nfs/dbraw/zinc/19/34/92/1221193492.db2.gz UJBRKSNHIDQZFM-PXNSSMCTSA-N 2 2 362.518 0.969 20 0 FCADLP CN(C(=O)/C=C\c1ccc[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000783613038 1221213915 /nfs/dbraw/zinc/21/39/15/1221213915.db2.gz PDQTZRHQLIXFAJ-WAYWQWQTSA-N 2 2 373.501 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCOCCO)CCCCC1 ZINC001115736253 1221320543 /nfs/dbraw/zinc/32/05/43/1221320543.db2.gz MZQSFPXSXALGSY-HZPDHXFCSA-N 2 2 364.490 0.941 20 0 FCADLP Cc1n[nH]c(=O)c(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC001116079865 1221334701 /nfs/dbraw/zinc/33/47/01/1221334701.db2.gz NMTVXLRWJSMUQG-AWEZNQCLSA-N 2 2 362.478 0.767 20 0 FCADLP Cc1n[nH]c(=O)c(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC001116079865 1221334703 /nfs/dbraw/zinc/33/47/03/1221334703.db2.gz NMTVXLRWJSMUQG-AWEZNQCLSA-N 2 2 362.478 0.767 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229940279 1226041092 /nfs/dbraw/zinc/04/10/92/1226041092.db2.gz ZWSFIRQNZGZOSO-JHJVBQTASA-N 2 2 364.450 0.122 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC001117035789 1221440332 /nfs/dbraw/zinc/44/03/32/1221440332.db2.gz RNUDMWUGYYVVGJ-INIZCTEOSA-N 2 2 374.485 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC001117035789 1221440337 /nfs/dbraw/zinc/44/03/37/1221440337.db2.gz RNUDMWUGYYVVGJ-INIZCTEOSA-N 2 2 374.485 0.336 20 0 FCADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001117668799 1221605011 /nfs/dbraw/zinc/60/50/11/1221605011.db2.gz UDNMZPXEGNNOBX-UHFFFAOYSA-N 2 2 360.458 0.957 20 0 FCADLP OC(C[NH+]1CCC2(CC1)OCCCO2)C[NH+]1CCC2(CC1)OCCCO2 ZINC001117707014 1221612383 /nfs/dbraw/zinc/61/23/83/1221612383.db2.gz UQRHZSCCZDCFHA-UHFFFAOYSA-N 2 2 370.490 0.805 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C ZINC001230150202 1226059311 /nfs/dbraw/zinc/05/93/11/1226059311.db2.gz YDECVUVNLZQSEP-BZUAXINKSA-N 2 2 364.494 0.300 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC1CCC1 ZINC001118193294 1221730730 /nfs/dbraw/zinc/73/07/30/1221730730.db2.gz TXXBLKFHRBTHOH-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC1CCC1 ZINC001118193294 1221730732 /nfs/dbraw/zinc/73/07/32/1221730732.db2.gz TXXBLKFHRBTHOH-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC001118198383 1221731633 /nfs/dbraw/zinc/73/16/33/1221731633.db2.gz MEYBREYCAGQIIQ-UHFFFAOYSA-N 2 2 358.486 0.585 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC001118198383 1221731639 /nfs/dbraw/zinc/73/16/39/1221731639.db2.gz MEYBREYCAGQIIQ-UHFFFAOYSA-N 2 2 358.486 0.585 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC001118218102 1221735770 /nfs/dbraw/zinc/73/57/70/1221735770.db2.gz AFAMAZMLWHOHFG-UHFFFAOYSA-N 2 2 372.458 0.283 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001119362396 1221906575 /nfs/dbraw/zinc/90/65/75/1221906575.db2.gz KBKIZUMMISDKFF-INIZCTEOSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001119406466 1221912852 /nfs/dbraw/zinc/91/28/52/1221912852.db2.gz LLLSBYHADQVKQU-WMLDXEAASA-N 2 2 360.458 0.083 20 0 FCADLP CNC(=O)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766736 1226086824 /nfs/dbraw/zinc/08/68/24/1226086824.db2.gz JDNPMSBSFKKNLF-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP CNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766736 1226086833 /nfs/dbraw/zinc/08/68/33/1226086833.db2.gz JDNPMSBSFKKNLF-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP CNC(=O)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766736 1226086835 /nfs/dbraw/zinc/08/68/35/1226086835.db2.gz JDNPMSBSFKKNLF-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP CNC(=O)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230766736 1226086843 /nfs/dbraw/zinc/08/68/43/1226086843.db2.gz JDNPMSBSFKKNLF-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001120493747 1222094150 /nfs/dbraw/zinc/09/41/50/1222094150.db2.gz QIXUAULXELAXCE-UHFFFAOYSA-N 2 2 354.414 0.406 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001120492129 1222094388 /nfs/dbraw/zinc/09/43/88/1222094388.db2.gz GDIFQPVKGJSXDS-CQSZACIVSA-N 2 2 354.414 0.358 20 0 FCADLP CCOC1CC(CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)([NH+]2CCOCC2)C1 ZINC001120531605 1222101316 /nfs/dbraw/zinc/10/13/16/1222101316.db2.gz FAFPXVULIHMODV-GSHBMFQSSA-N 2 2 366.506 0.698 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)CN1CC[NH+]1CCOCC1 ZINC001120582333 1222106535 /nfs/dbraw/zinc/10/65/35/1222106535.db2.gz HZQNKBZUTCDLPD-WMLDXEAASA-N 2 2 369.412 0.521 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001120594893 1222107175 /nfs/dbraw/zinc/10/71/75/1222107175.db2.gz WVXVVKDXQSYBPN-UHFFFAOYSA-N 2 2 361.490 0.154 20 0 FCADLP CNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791165 1222212263 /nfs/dbraw/zinc/21/22/63/1222212263.db2.gz JMCZGWDJKDFCQC-LNAAJCONSA-N 2 2 359.474 0.675 20 0 FCADLP C[C@H]1Cn2nc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cc2C[NH2+]1 ZINC001121928743 1222225222 /nfs/dbraw/zinc/22/52/22/1222225222.db2.gz STJUCXAZEKDKRH-INIZCTEOSA-N 2 2 368.485 0.927 20 0 FCADLP O=c1cc[nH]cc1C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277528150 1226108957 /nfs/dbraw/zinc/10/89/57/1226108957.db2.gz QJOOWXFVFHFLIO-GOSISDBHSA-N 2 2 357.414 0.075 20 0 FCADLP O=c1cc[nH]cc1C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277528150 1226108960 /nfs/dbraw/zinc/10/89/60/1226108960.db2.gz QJOOWXFVFHFLIO-GOSISDBHSA-N 2 2 357.414 0.075 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC001123695792 1222351842 /nfs/dbraw/zinc/35/18/42/1222351842.db2.gz WOCORDYMAAGMCA-IRXDYDNUSA-N 2 2 360.506 0.856 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC001123695792 1222351847 /nfs/dbraw/zinc/35/18/47/1222351847.db2.gz WOCORDYMAAGMCA-IRXDYDNUSA-N 2 2 360.506 0.856 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231768200 1226124610 /nfs/dbraw/zinc/12/46/10/1226124610.db2.gz PSCSJMLNATUANY-HUUCEWRRSA-N 2 2 355.442 0.043 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cc(C(=O)OC)n(C)c1)CC2 ZINC001139372573 1222547967 /nfs/dbraw/zinc/54/79/67/1222547967.db2.gz UPYUGARMTUTMPB-UHFFFAOYSA-N 2 2 362.474 0.988 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cc(C(=O)OC)n(C)c1)CC2 ZINC001139372573 1222547971 /nfs/dbraw/zinc/54/79/71/1222547971.db2.gz UPYUGARMTUTMPB-UHFFFAOYSA-N 2 2 362.474 0.988 20 0 FCADLP OCCC[NH+]1CCN(Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139760910 1222557500 /nfs/dbraw/zinc/55/75/00/1222557500.db2.gz APYFWNVPMNCPAB-UHFFFAOYSA-N 2 2 363.502 0.898 20 0 FCADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766674 1222587930 /nfs/dbraw/zinc/58/79/30/1222587930.db2.gz WMQULWJHTCBIHV-GLJUWKHASA-N 2 2 371.478 0.584 20 0 FCADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766674 1222587935 /nfs/dbraw/zinc/58/79/35/1222587935.db2.gz WMQULWJHTCBIHV-GLJUWKHASA-N 2 2 371.478 0.584 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817433 1222591728 /nfs/dbraw/zinc/59/17/28/1222591728.db2.gz QUQBWYLXADJXFS-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817433 1222591732 /nfs/dbraw/zinc/59/17/32/1222591732.db2.gz QUQBWYLXADJXFS-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817433 1222591737 /nfs/dbraw/zinc/59/17/37/1222591737.db2.gz QUQBWYLXADJXFS-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000834817433 1222591742 /nfs/dbraw/zinc/59/17/42/1222591742.db2.gz QUQBWYLXADJXFS-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001140803802 1222614918 /nfs/dbraw/zinc/61/49/18/1222614918.db2.gz XGSLEAWBDYBOOM-ZTFGCOKTSA-N 2 2 364.409 0.982 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000837886770 1222661649 /nfs/dbraw/zinc/66/16/49/1222661649.db2.gz RKRNHXMLZIRXQY-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000842034920 1222833296 /nfs/dbraw/zinc/83/32/96/1222833296.db2.gz DLMWASHWBZMIET-BETUJISGSA-N 2 2 356.430 0.401 20 0 FCADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@@](C)(O)c1ccccc1 ZINC000842626399 1222850402 /nfs/dbraw/zinc/85/04/02/1222850402.db2.gz PGCMZXVEMYYQBA-GOSISDBHSA-N 2 2 360.458 0.800 20 0 FCADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@@](C)(O)c1ccccc1 ZINC000842626399 1222850403 /nfs/dbraw/zinc/85/04/03/1222850403.db2.gz PGCMZXVEMYYQBA-GOSISDBHSA-N 2 2 360.458 0.800 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246770 1222862910 /nfs/dbraw/zinc/86/29/10/1222862910.db2.gz AIIFTQCXBXRTLR-NXOAAHMSSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246770 1222862914 /nfs/dbraw/zinc/86/29/14/1222862914.db2.gz AIIFTQCXBXRTLR-NXOAAHMSSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246770 1222862915 /nfs/dbraw/zinc/86/29/15/1222862915.db2.gz AIIFTQCXBXRTLR-NXOAAHMSSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246770 1222862917 /nfs/dbraw/zinc/86/29/17/1222862917.db2.gz AIIFTQCXBXRTLR-NXOAAHMSSA-N 2 2 368.522 0.495 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC12CCOCC2 ZINC000843388153 1222875111 /nfs/dbraw/zinc/87/51/11/1222875111.db2.gz KZQLFIVIMDVIEL-LBPRGKRZSA-N 2 2 359.430 0.894 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC12CCOCC2 ZINC000843388153 1222875116 /nfs/dbraw/zinc/87/51/16/1222875116.db2.gz KZQLFIVIMDVIEL-LBPRGKRZSA-N 2 2 359.430 0.894 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@H]4C3)cn21 ZINC001150403080 1222902588 /nfs/dbraw/zinc/90/25/88/1222902588.db2.gz SOMWQKUXVWONCF-HOTGVXAUSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@H]4C3)cn21 ZINC001150403080 1222902592 /nfs/dbraw/zinc/90/25/92/1222902592.db2.gz SOMWQKUXVWONCF-HOTGVXAUSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[N@@H+]4CC[C@H]4C3)cn21 ZINC001150403080 1222902598 /nfs/dbraw/zinc/90/25/98/1222902598.db2.gz SOMWQKUXVWONCF-HOTGVXAUSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[N@H+]4CC[C@H]4C3)cn21 ZINC001150403080 1222902602 /nfs/dbraw/zinc/90/26/02/1222902602.db2.gz SOMWQKUXVWONCF-HOTGVXAUSA-N 2 2 369.473 0.178 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)cc1 ZINC001153780493 1222985999 /nfs/dbraw/zinc/98/59/99/1222985999.db2.gz OTEYFSFAHMUBRY-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)cc1 ZINC001153780493 1222986005 /nfs/dbraw/zinc/98/60/05/1222986005.db2.gz OTEYFSFAHMUBRY-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC001153780493 1222986010 /nfs/dbraw/zinc/98/60/10/1222986010.db2.gz OTEYFSFAHMUBRY-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC001153780493 1222986013 /nfs/dbraw/zinc/98/60/13/1222986013.db2.gz OTEYFSFAHMUBRY-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]cn1 ZINC001155389491 1223034482 /nfs/dbraw/zinc/03/44/82/1223034482.db2.gz HUQKJXRFCBAUND-LSDHHAIUSA-N 2 2 374.489 0.891 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc[nH+]1 ZINC001155389491 1223034484 /nfs/dbraw/zinc/03/44/84/1223034484.db2.gz HUQKJXRFCBAUND-LSDHHAIUSA-N 2 2 374.489 0.891 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]cn1 ZINC001155461351 1223035680 /nfs/dbraw/zinc/03/56/80/1223035680.db2.gz CLFWMFSERLZVAA-HOCLYGCPSA-N 2 2 369.473 0.954 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc[nH+]1 ZINC001155461351 1223035683 /nfs/dbraw/zinc/03/56/83/1223035683.db2.gz CLFWMFSERLZVAA-HOCLYGCPSA-N 2 2 369.473 0.954 20 0 FCADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)N1 ZINC001155574026 1223038023 /nfs/dbraw/zinc/03/80/23/1223038023.db2.gz DIPCTBQAAGRWQY-SJCJKPOMSA-N 2 2 358.450 0.062 20 0 FCADLP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)N1 ZINC001155574027 1223038172 /nfs/dbraw/zinc/03/81/72/1223038172.db2.gz DIPCTBQAAGRWQY-SJKOYZFVSA-N 2 2 358.450 0.062 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001157036520 1223066651 /nfs/dbraw/zinc/06/66/51/1223066651.db2.gz AMOFUOPDDJOBIQ-APWZRJJASA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001157036520 1223066653 /nfs/dbraw/zinc/06/66/53/1223066653.db2.gz AMOFUOPDDJOBIQ-APWZRJJASA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001157036520 1223066658 /nfs/dbraw/zinc/06/66/58/1223066658.db2.gz AMOFUOPDDJOBIQ-APWZRJJASA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001157036520 1223066659 /nfs/dbraw/zinc/06/66/59/1223066659.db2.gz AMOFUOPDDJOBIQ-APWZRJJASA-N 2 2 372.425 0.247 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157379633 1223075329 /nfs/dbraw/zinc/07/53/29/1223075329.db2.gz OYICVPOGMBMPQO-DOTOQJQBSA-N 2 2 362.474 0.931 20 0 FCADLP COc1cc2c(cc1OC)[C@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001157423264 1223076694 /nfs/dbraw/zinc/07/66/94/1223076694.db2.gz QDZJBRLAEWXMES-BBRMVZONSA-N 2 2 362.474 0.210 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001158007225 1223086341 /nfs/dbraw/zinc/08/63/41/1223086341.db2.gz RTEMHZWFVMPBHA-RDJZCZTQSA-N 2 2 356.426 0.468 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001158006395 1223086534 /nfs/dbraw/zinc/08/65/34/1223086534.db2.gz LFGHSJSCCFARKF-OXFYSEKESA-N 2 2 372.469 0.076 20 0 FCADLP CCn1nnc2c1[C@H](COC)CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C2 ZINC001158799027 1223109997 /nfs/dbraw/zinc/10/99/97/1223109997.db2.gz LAGZCJBJTTXASV-LSDHHAIUSA-N 2 2 358.446 0.643 20 0 FCADLP Cn1ncc2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C[C@H]2COc1cccnc1 ZINC001158841463 1223111115 /nfs/dbraw/zinc/11/11/15/1223111115.db2.gz GRPUVRQDENQNGA-ZENOOKHLSA-N 2 2 356.430 0.009 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC3)cn1 ZINC001158982900 1223114569 /nfs/dbraw/zinc/11/45/69/1223114569.db2.gz MXGNDASXJXXHAV-YOEHRIQHSA-N 2 2 372.473 0.589 20 0 FCADLP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)cn1 ZINC001158982735 1223114676 /nfs/dbraw/zinc/11/46/76/1223114676.db2.gz LDEPGCMRBDWOQN-CZUORRHYSA-N 2 2 358.446 0.578 20 0 FCADLP N[C@@]1(C(=O)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CCC[NH2+]C1 ZINC001159038789 1223116259 /nfs/dbraw/zinc/11/62/59/1223116259.db2.gz WHVNTMRVDWNVIK-IBGZPJMESA-N 2 2 362.474 0.554 20 0 FCADLP N[C@@]1(C(=O)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CCC[NH2+]C1 ZINC001159038789 1223116260 /nfs/dbraw/zinc/11/62/60/1223116260.db2.gz WHVNTMRVDWNVIK-IBGZPJMESA-N 2 2 362.474 0.554 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001159075735 1223116747 /nfs/dbraw/zinc/11/67/47/1223116747.db2.gz GIZWXLMGURHSES-APWZRJJASA-N 2 2 365.474 0.551 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001159075184 1223116828 /nfs/dbraw/zinc/11/68/28/1223116828.db2.gz DNSMEACHDSQPKS-RCJHGTSTSA-N 2 2 367.490 0.629 20 0 FCADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159133922 1223118496 /nfs/dbraw/zinc/11/84/96/1223118496.db2.gz LAUYPAUGVYLAKE-CEXWTWQISA-N 3 2 372.517 0.007 20 0 FCADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159133922 1223118497 /nfs/dbraw/zinc/11/84/97/1223118497.db2.gz LAUYPAUGVYLAKE-CEXWTWQISA-N 3 2 372.517 0.007 20 0 FCADLP [NH3+]C1(C(=O)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]CC1 ZINC001159145482 1223119167 /nfs/dbraw/zinc/11/91/67/1223119167.db2.gz FIKYLJZOQHRPAY-OXJNMPFZSA-N 2 2 374.485 0.939 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159221351 1223121250 /nfs/dbraw/zinc/12/12/50/1223121250.db2.gz YIYGMJBJPVQFOU-NNPSNHGLSA-N 2 2 360.458 0.293 20 0 FCADLP Cc1cccc(N2CCC[C@@]3(CN(C(=O)[C@@H]4C[C@@H]([NH3+])C[NH2+]4)CCO3)C2)c1 ZINC001159291115 1223123143 /nfs/dbraw/zinc/12/31/43/1223123143.db2.gz KUTKSVWPEKUDIG-KPFFTGBYSA-N 2 2 358.486 0.882 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)C1 ZINC001159340513 1223124941 /nfs/dbraw/zinc/12/49/41/1223124941.db2.gz WYJRFSSSKNYISZ-YDHLFZDLSA-N 2 2 364.421 0.439 20 0 FCADLP [NH3+]C1(C(=O)N2CCCn3nnc(CNc4cccnc4)c3C2)CC[NH2+]CC1 ZINC001159388438 1223125988 /nfs/dbraw/zinc/12/59/88/1223125988.db2.gz OZFAGGAUVSHBOG-UHFFFAOYSA-N 2 2 370.461 0.098 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159432257 1223127020 /nfs/dbraw/zinc/12/70/20/1223127020.db2.gz GUMDZVBDKWOIIB-RTBURBONSA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159432257 1223127022 /nfs/dbraw/zinc/12/70/22/1223127022.db2.gz GUMDZVBDKWOIIB-RTBURBONSA-N 2 2 372.513 0.972 20 0 FCADLP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514696 1223129198 /nfs/dbraw/zinc/12/91/98/1223129198.db2.gz IDVLREDWPSHMRE-RRQGHBQHSA-N 2 2 371.445 0.022 20 0 FCADLP O=C(N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159593686 1223130381 /nfs/dbraw/zinc/13/03/81/1223130381.db2.gz HLGJAVSOOJNWAH-CNVJLJKISA-N 2 2 354.454 0.734 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)[C@@H]2C ZINC001159632993 1223132036 /nfs/dbraw/zinc/13/20/36/1223132036.db2.gz DVKVASBCFUYOKB-CLCXKQKWSA-N 3 2 360.506 0.578 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)[C@@H]2C ZINC001159632993 1223132039 /nfs/dbraw/zinc/13/20/39/1223132039.db2.gz DVKVASBCFUYOKB-CLCXKQKWSA-N 3 2 360.506 0.578 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)C1CC[NH2+]CC1 ZINC001159677072 1223133459 /nfs/dbraw/zinc/13/34/59/1223133459.db2.gz DABYGBBYSNZUDK-SFHVURJKSA-N 3 2 373.501 0.606 20 0 FCADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159898564 1223139312 /nfs/dbraw/zinc/13/93/12/1223139312.db2.gz PDWNQLIFBOAXSB-LJQANCHMSA-N 2 2 369.469 0.753 20 0 FCADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159898564 1223139314 /nfs/dbraw/zinc/13/93/14/1223139314.db2.gz PDWNQLIFBOAXSB-LJQANCHMSA-N 2 2 369.469 0.753 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905176 1223139571 /nfs/dbraw/zinc/13/95/71/1223139571.db2.gz KWAPOTQRINVLNH-AOIWGVFYSA-N 2 2 371.441 0.524 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001160049798 1223143363 /nfs/dbraw/zinc/14/33/63/1223143363.db2.gz LANRBTLHNIHDSX-NMDDUFOESA-N 2 2 372.469 0.023 20 0 FCADLP Cc1ccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054323 1223143397 /nfs/dbraw/zinc/14/33/97/1223143397.db2.gz ZMEDMACIVFJGSM-YJBOKZPZSA-N 3 2 374.489 0.110 20 0 FCADLP Cc1ccc(N2C[C@@]3(CCN(C(=O)[C@@H]4C[C@H]5C[NH2+]C[C@H]5[NH2+]4)C3)CC2=O)s1 ZINC001160093384 1223145314 /nfs/dbraw/zinc/14/53/14/1223145314.db2.gz FKJMESISMXSEOH-ZTENYAIWSA-N 2 2 374.510 0.962 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160231480 1223150988 /nfs/dbraw/zinc/15/09/88/1223150988.db2.gz QVQPTIYVOJEWPL-XEZPLFJOSA-N 2 2 366.416 0.087 20 0 FCADLP CC(C)CN1c2ccccc2[C@]2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C2)C1=O ZINC001160284189 1223153340 /nfs/dbraw/zinc/15/33/40/1223153340.db2.gz ZOQGPVSZPSLKEE-DKICVRJWSA-N 2 2 356.470 0.706 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC(C1CC1)C1CC1 ZINC001160325934 1223155111 /nfs/dbraw/zinc/15/51/11/1223155111.db2.gz GMSUXANSYKZXOL-HUUCEWRRSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NC(C1CC1)C1CC1 ZINC001160325934 1223155112 /nfs/dbraw/zinc/15/51/12/1223155112.db2.gz GMSUXANSYKZXOL-HUUCEWRRSA-N 2 2 359.474 0.914 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)CCCCNC(N)=[NH2+])C2 ZINC001160380028 1223156469 /nfs/dbraw/zinc/15/64/69/1223156469.db2.gz ADHPWDGROJWHDT-UHFFFAOYSA-N 2 2 364.498 0.504 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)CCCCNC(N)=[NH2+])C2 ZINC001160380028 1223156472 /nfs/dbraw/zinc/15/64/72/1223156472.db2.gz ADHPWDGROJWHDT-UHFFFAOYSA-N 2 2 364.498 0.504 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001160424382 1223158991 /nfs/dbraw/zinc/15/89/91/1223158991.db2.gz SKVVLPSXUDZSMX-BHNDVYRESA-N 3 2 357.502 0.687 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001160424382 1223158994 /nfs/dbraw/zinc/15/89/94/1223158994.db2.gz SKVVLPSXUDZSMX-BHNDVYRESA-N 3 2 357.502 0.687 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001160421813 1223159340 /nfs/dbraw/zinc/15/93/40/1223159340.db2.gz TZDQDNSZLACYSW-HNNXBMFYSA-N 2 2 371.416 0.942 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001160696255 1223168711 /nfs/dbraw/zinc/16/87/11/1223168711.db2.gz LPSAMTDDABUCFE-AWEZNQCLSA-N 2 2 359.434 0.334 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904452 1223180494 /nfs/dbraw/zinc/18/04/94/1223180494.db2.gz GJYAZLGVERONRY-ROUUACIJSA-N 3 2 358.486 0.327 20 0 FCADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161145664 1223186987 /nfs/dbraw/zinc/18/69/87/1223186987.db2.gz GUAAZGXTQFLWIM-VXNCWWDNSA-N 2 2 357.454 0.728 20 0 FCADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161145664 1223186992 /nfs/dbraw/zinc/18/69/92/1223186992.db2.gz GUAAZGXTQFLWIM-VXNCWWDNSA-N 2 2 357.454 0.728 20 0 FCADLP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161173432 1223188550 /nfs/dbraw/zinc/18/85/50/1223188550.db2.gz ZVJPQANLIKMQCQ-OUCADQQQSA-N 2 2 360.418 0.259 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001161238033 1223190991 /nfs/dbraw/zinc/19/09/91/1223190991.db2.gz QNWITMPPLWTWNI-YLJYHZDGSA-N 2 2 359.470 0.915 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001161238033 1223190994 /nfs/dbraw/zinc/19/09/94/1223190994.db2.gz QNWITMPPLWTWNI-YLJYHZDGSA-N 2 2 359.470 0.915 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001161236288 1223191319 /nfs/dbraw/zinc/19/13/19/1223191319.db2.gz CNOGMPFESYHCDW-NVXWUHKLSA-N 2 2 356.426 0.420 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001161236288 1223191324 /nfs/dbraw/zinc/19/13/24/1223191324.db2.gz CNOGMPFESYHCDW-NVXWUHKLSA-N 2 2 356.426 0.420 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+](CCOCCO)CC1 ZINC001161248962 1223191752 /nfs/dbraw/zinc/19/17/52/1223191752.db2.gz URUHGGQBYJTATO-IAGOWNOFSA-N 2 2 362.474 0.671 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+](CCOCCO)CC1 ZINC001161248962 1223191755 /nfs/dbraw/zinc/19/17/55/1223191755.db2.gz URUHGGQBYJTATO-IAGOWNOFSA-N 2 2 362.474 0.671 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C[N@@H+]1CCO ZINC001162249052 1223212272 /nfs/dbraw/zinc/21/22/72/1223212272.db2.gz OFYZTEMJUWMNSO-CVEARBPZSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C[N@H+]1CCO ZINC001162249052 1223212275 /nfs/dbraw/zinc/21/22/75/1223212275.db2.gz OFYZTEMJUWMNSO-CVEARBPZSA-N 2 2 363.506 0.546 20 0 FCADLP CN1CCN(c2cc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)[nH+]cn2)CC1=O ZINC001162958138 1223222707 /nfs/dbraw/zinc/22/27/07/1223222707.db2.gz YERDNBUIYUFVFN-OAHLLOKOSA-N 2 2 374.489 0.716 20 0 FCADLP CN1CCN(c2cc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)nc[nH+]2)CC1=O ZINC001162958138 1223222709 /nfs/dbraw/zinc/22/27/09/1223222709.db2.gz YERDNBUIYUFVFN-OAHLLOKOSA-N 2 2 374.489 0.716 20 0 FCADLP CC(C)COCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996356 1223223589 /nfs/dbraw/zinc/22/35/89/1223223589.db2.gz RHDLNEMKYDHDKP-MSOLQXFVSA-N 2 2 371.522 0.635 20 0 FCADLP O=c1cc(CNc2cc(O[C@@H]3CCOC3)cc[nH+]2)nc2n1CCC[NH2+]C2 ZINC001163124377 1223227341 /nfs/dbraw/zinc/22/73/41/1223227341.db2.gz MDUQHWJTFCBEQD-OAHLLOKOSA-N 2 2 357.414 0.911 20 0 FCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cccc(N3CCC([NH3+])CC3)n2)cn1 ZINC001163413571 1223229483 /nfs/dbraw/zinc/22/94/83/1223229483.db2.gz ZQZDNKXNWXXDEP-HNNXBMFYSA-N 2 2 358.446 0.628 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCN(C4CCOCC4)C(=O)C3)[nH+]2)CC1 ZINC001165111891 1223242336 /nfs/dbraw/zinc/24/23/36/1223242336.db2.gz GMJLGKJQYAKEJX-UHFFFAOYSA-N 2 2 359.474 0.661 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1nnc(C2CC2)n1C ZINC001166961025 1223290169 /nfs/dbraw/zinc/29/01/69/1223290169.db2.gz NEPDFLQQHCJANA-ZIAGYGMSSA-N 2 2 357.462 0.826 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2cccnc2)CC3)cn1 ZINC001204075537 1223299466 /nfs/dbraw/zinc/29/94/66/1223299466.db2.gz YJMRUZKAHSYTFQ-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2cccnc2)CC3)cn1 ZINC001204075537 1223299470 /nfs/dbraw/zinc/29/94/70/1223299470.db2.gz YJMRUZKAHSYTFQ-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205127176 1223310831 /nfs/dbraw/zinc/31/08/31/1223310831.db2.gz YPHMWNDFSVGYPK-IAGOWNOFSA-N 2 2 358.442 0.409 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205127176 1223310835 /nfs/dbraw/zinc/31/08/35/1223310835.db2.gz YPHMWNDFSVGYPK-IAGOWNOFSA-N 2 2 358.442 0.409 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586022 1223362257 /nfs/dbraw/zinc/36/22/57/1223362257.db2.gz LELBJGOKLMLOEQ-MGPQQGTHSA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586022 1223362259 /nfs/dbraw/zinc/36/22/59/1223362259.db2.gz LELBJGOKLMLOEQ-MGPQQGTHSA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206586022 1223362261 /nfs/dbraw/zinc/36/22/61/1223362261.db2.gz LELBJGOKLMLOEQ-MGPQQGTHSA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206586022 1223362263 /nfs/dbraw/zinc/36/22/63/1223362263.db2.gz LELBJGOKLMLOEQ-MGPQQGTHSA-N 2 2 367.494 0.141 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206619409 1223363067 /nfs/dbraw/zinc/36/30/67/1223363067.db2.gz AKHAMSVJHFIBOY-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206619409 1223363069 /nfs/dbraw/zinc/36/30/69/1223363069.db2.gz AKHAMSVJHFIBOY-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206619409 1223363074 /nfs/dbraw/zinc/36/30/74/1223363074.db2.gz AKHAMSVJHFIBOY-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206619409 1223363079 /nfs/dbraw/zinc/36/30/79/1223363079.db2.gz AKHAMSVJHFIBOY-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206954995 1223394026 /nfs/dbraw/zinc/39/40/26/1223394026.db2.gz GKSBURYHXFMYEY-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206954995 1223394030 /nfs/dbraw/zinc/39/40/30/1223394030.db2.gz GKSBURYHXFMYEY-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206954995 1223394033 /nfs/dbraw/zinc/39/40/33/1223394033.db2.gz GKSBURYHXFMYEY-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206954995 1223394035 /nfs/dbraw/zinc/39/40/35/1223394035.db2.gz GKSBURYHXFMYEY-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207546809 1223454166 /nfs/dbraw/zinc/45/41/66/1223454166.db2.gz AQFXPXWTLCVSRK-NXHRZFHOSA-N 2 2 356.474 0.845 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207546809 1223454168 /nfs/dbraw/zinc/45/41/68/1223454168.db2.gz AQFXPXWTLCVSRK-NXHRZFHOSA-N 2 2 356.474 0.845 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734274 1223474629 /nfs/dbraw/zinc/47/46/29/1223474629.db2.gz QXPSXLWAWBZGGV-BFYDXBDKSA-N 2 2 361.490 0.749 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734274 1223474632 /nfs/dbraw/zinc/47/46/32/1223474632.db2.gz QXPSXLWAWBZGGV-BFYDXBDKSA-N 2 2 361.490 0.749 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859890 1223486751 /nfs/dbraw/zinc/48/67/51/1223486751.db2.gz ZXRWYLGZLYZXKQ-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859890 1223486753 /nfs/dbraw/zinc/48/67/53/1223486753.db2.gz ZXRWYLGZLYZXKQ-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250311 1223523880 /nfs/dbraw/zinc/52/38/80/1223523880.db2.gz FBJDHGYEFHBNEX-BZUAXINKSA-N 2 2 365.478 0.251 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250311 1223523881 /nfs/dbraw/zinc/52/38/81/1223523881.db2.gz FBJDHGYEFHBNEX-BZUAXINKSA-N 2 2 365.478 0.251 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609706 1223561740 /nfs/dbraw/zinc/56/17/40/1223561740.db2.gz WBYFYIOLDJWRRD-YLFCFFPRSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609706 1223561749 /nfs/dbraw/zinc/56/17/49/1223561749.db2.gz WBYFYIOLDJWRRD-YLFCFFPRSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609706 1223561753 /nfs/dbraw/zinc/56/17/53/1223561753.db2.gz WBYFYIOLDJWRRD-YLFCFFPRSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609706 1223561758 /nfs/dbraw/zinc/56/17/58/1223561758.db2.gz WBYFYIOLDJWRRD-YLFCFFPRSA-N 2 2 361.490 0.724 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)C1CC[NH+](C)CC1 ZINC000977943762 1248689262 /nfs/dbraw/zinc/68/92/62/1248689262.db2.gz HKGHPBXXLZMRHQ-ARFHVFGLSA-N 2 2 359.474 0.914 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)C1CC[NH+](C)CC1 ZINC000977943762 1248689275 /nfs/dbraw/zinc/68/92/75/1248689275.db2.gz HKGHPBXXLZMRHQ-ARFHVFGLSA-N 2 2 359.474 0.914 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942465 1223586313 /nfs/dbraw/zinc/58/63/13/1223586313.db2.gz DOHRMGFKCOJRJJ-AQNXPRMDSA-N 2 2 372.513 0.640 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942465 1223586316 /nfs/dbraw/zinc/58/63/16/1223586316.db2.gz DOHRMGFKCOJRJJ-AQNXPRMDSA-N 2 2 372.513 0.640 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942465 1223586321 /nfs/dbraw/zinc/58/63/21/1223586321.db2.gz DOHRMGFKCOJRJJ-AQNXPRMDSA-N 2 2 372.513 0.640 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942465 1223586325 /nfs/dbraw/zinc/58/63/25/1223586325.db2.gz DOHRMGFKCOJRJJ-AQNXPRMDSA-N 2 2 372.513 0.640 20 0 FCADLP CCN(CC)C(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276609643 1223592913 /nfs/dbraw/zinc/59/29/13/1223592913.db2.gz LGKKHEQPSFOENS-IBGZPJMESA-N 2 2 368.522 0.357 20 0 FCADLP CCN(CC)C(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276609643 1223592916 /nfs/dbraw/zinc/59/29/16/1223592916.db2.gz LGKKHEQPSFOENS-IBGZPJMESA-N 2 2 368.522 0.357 20 0 FCADLP c1ncn(C[C@@H]2C[C@@H]3C[N@H+](CCN4CCOCC4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001209290089 1223607982 /nfs/dbraw/zinc/60/79/82/1223607982.db2.gz NFPUWPOSQBTLGK-AABGKKOBSA-N 2 2 374.533 0.785 20 0 FCADLP c1ncn(C[C@@H]2C[C@@H]3C[N@@H+](CCN4CCOCC4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001209290089 1223607984 /nfs/dbraw/zinc/60/79/84/1223607984.db2.gz NFPUWPOSQBTLGK-AABGKKOBSA-N 2 2 374.533 0.785 20 0 FCADLP c1ncn(C[C@@H]2C[C@@H]3C[NH+](CCN4CCOCC4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001209290089 1223607985 /nfs/dbraw/zinc/60/79/85/1223607985.db2.gz NFPUWPOSQBTLGK-AABGKKOBSA-N 2 2 374.533 0.785 20 0 FCADLP c1ncn(C[C@@H]2C[C@@H]3C[NH+](CCN4CCOCC4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001209290089 1223607987 /nfs/dbraw/zinc/60/79/87/1223607987.db2.gz NFPUWPOSQBTLGK-AABGKKOBSA-N 2 2 374.533 0.785 20 0 FCADLP c1ncn(C[C@@H]2C[C@@H]3CN(CC[NH+]4CCOCC4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001209290089 1223607989 /nfs/dbraw/zinc/60/79/89/1223607989.db2.gz NFPUWPOSQBTLGK-AABGKKOBSA-N 2 2 374.533 0.785 20 0 FCADLP c1ncn(C[C@@H]2C[C@@H]3CN(CC[NH+]4CCOCC4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001209290089 1223607990 /nfs/dbraw/zinc/60/79/90/1223607990.db2.gz NFPUWPOSQBTLGK-AABGKKOBSA-N 2 2 374.533 0.785 20 0 FCADLP O=C1CO[C@]2(CCN(CC[NH+]3CCCCC3)C2)CN1CCn1cc[nH+]c1 ZINC001276638983 1223616032 /nfs/dbraw/zinc/61/60/32/1223616032.db2.gz AWNHRYGMIJIISC-IBGZPJMESA-N 2 2 361.490 0.672 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CCN(CC[NH+]3CCCCC3)C2)OCC1=O ZINC001276639935 1223617394 /nfs/dbraw/zinc/61/73/94/1223617394.db2.gz UHZPNTNCMYPYTI-IBGZPJMESA-N 2 2 361.490 0.709 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209488131 1223624536 /nfs/dbraw/zinc/62/45/36/1223624536.db2.gz JIRCLSOLMRRXBP-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209488131 1223624541 /nfs/dbraw/zinc/62/45/41/1223624541.db2.gz JIRCLSOLMRRXBP-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514533 1223627635 /nfs/dbraw/zinc/62/76/35/1223627635.db2.gz MOWAGOXDKHCVGP-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514533 1223627638 /nfs/dbraw/zinc/62/76/38/1223627638.db2.gz MOWAGOXDKHCVGP-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209700380 1223642055 /nfs/dbraw/zinc/64/20/55/1223642055.db2.gz VELKQLKIJPRYBS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734050 1223646071 /nfs/dbraw/zinc/64/60/71/1223646071.db2.gz KUXKSOFANPRDDQ-PKOBYXMFSA-N 2 2 360.458 0.724 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734050 1223646073 /nfs/dbraw/zinc/64/60/73/1223646073.db2.gz KUXKSOFANPRDDQ-PKOBYXMFSA-N 2 2 360.458 0.724 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001209973335 1223659280 /nfs/dbraw/zinc/65/92/80/1223659280.db2.gz ZLZFZHQHKVMBQK-CRAIPNDOSA-N 2 2 358.442 0.931 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001209973335 1223659283 /nfs/dbraw/zinc/65/92/83/1223659283.db2.gz ZLZFZHQHKVMBQK-CRAIPNDOSA-N 2 2 358.442 0.931 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224206 1223771755 /nfs/dbraw/zinc/77/17/55/1223771755.db2.gz RCRIHYWUHNZQED-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224206 1223771760 /nfs/dbraw/zinc/77/17/60/1223771760.db2.gz RCRIHYWUHNZQED-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252349 1223778527 /nfs/dbraw/zinc/77/85/27/1223778527.db2.gz HWSWWWTVTGZOMH-BZUAXINKSA-N 2 2 368.522 0.720 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252349 1223778529 /nfs/dbraw/zinc/77/85/29/1223778529.db2.gz HWSWWWTVTGZOMH-BZUAXINKSA-N 2 2 368.522 0.720 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442851 1223799433 /nfs/dbraw/zinc/79/94/33/1223799433.db2.gz XEWVRZHWNNITTK-BZUAXINKSA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442851 1223799435 /nfs/dbraw/zinc/79/94/35/1223799435.db2.gz XEWVRZHWNNITTK-BZUAXINKSA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442851 1223799436 /nfs/dbraw/zinc/79/94/36/1223799436.db2.gz XEWVRZHWNNITTK-BZUAXINKSA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442851 1223799438 /nfs/dbraw/zinc/79/94/38/1223799438.db2.gz XEWVRZHWNNITTK-BZUAXINKSA-N 2 2 368.522 0.578 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213598700 1223820355 /nfs/dbraw/zinc/82/03/55/1223820355.db2.gz LFHCZIQMJAXQSQ-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213598700 1223820356 /nfs/dbraw/zinc/82/03/56/1223820356.db2.gz LFHCZIQMJAXQSQ-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629231 1223825215 /nfs/dbraw/zinc/82/52/15/1223825215.db2.gz PGGZTMBBCKLCOA-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629231 1223825218 /nfs/dbraw/zinc/82/52/18/1223825218.db2.gz PGGZTMBBCKLCOA-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671385 1223830289 /nfs/dbraw/zinc/83/02/89/1223830289.db2.gz FDIKRMZPYQFABZ-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671385 1223830293 /nfs/dbraw/zinc/83/02/93/1223830293.db2.gz FDIKRMZPYQFABZ-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671385 1223830295 /nfs/dbraw/zinc/83/02/95/1223830295.db2.gz FDIKRMZPYQFABZ-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671385 1223830296 /nfs/dbraw/zinc/83/02/96/1223830296.db2.gz FDIKRMZPYQFABZ-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671328 1223830501 /nfs/dbraw/zinc/83/05/01/1223830501.db2.gz BKBGEYBKVZKNNQ-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671328 1223830503 /nfs/dbraw/zinc/83/05/03/1223830503.db2.gz BKBGEYBKVZKNNQ-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671328 1223830505 /nfs/dbraw/zinc/83/05/05/1223830505.db2.gz BKBGEYBKVZKNNQ-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671328 1223830507 /nfs/dbraw/zinc/83/05/07/1223830507.db2.gz BKBGEYBKVZKNNQ-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](CCn1ccnc1)C2 ZINC001276704264 1223833731 /nfs/dbraw/zinc/83/37/31/1223833731.db2.gz CAXWJXMVTKVTOR-SFHVURJKSA-N 2 2 358.446 0.331 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](CCn1ccnc1)C2 ZINC001276704264 1223833734 /nfs/dbraw/zinc/83/37/34/1223833734.db2.gz CAXWJXMVTKVTOR-SFHVURJKSA-N 2 2 358.446 0.331 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213713159 1223837415 /nfs/dbraw/zinc/83/74/15/1223837415.db2.gz LSVDZWREKJEYTQ-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213713159 1223837416 /nfs/dbraw/zinc/83/74/16/1223837416.db2.gz LSVDZWREKJEYTQ-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755445 1223844934 /nfs/dbraw/zinc/84/49/34/1223844934.db2.gz AMAXHIGOTXMLIA-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755445 1223844936 /nfs/dbraw/zinc/84/49/36/1223844936.db2.gz AMAXHIGOTXMLIA-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755445 1223844940 /nfs/dbraw/zinc/84/49/40/1223844940.db2.gz AMAXHIGOTXMLIA-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755445 1223844944 /nfs/dbraw/zinc/84/49/44/1223844944.db2.gz AMAXHIGOTXMLIA-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914693 1223871293 /nfs/dbraw/zinc/87/12/93/1223871293.db2.gz RXJXLGORGZGFHD-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914693 1223871297 /nfs/dbraw/zinc/87/12/97/1223871297.db2.gz RXJXLGORGZGFHD-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921898 1223873019 /nfs/dbraw/zinc/87/30/19/1223873019.db2.gz MDJIEOBIWZOTHU-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921898 1223873023 /nfs/dbraw/zinc/87/30/23/1223873023.db2.gz MDJIEOBIWZOTHU-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975732 1223880446 /nfs/dbraw/zinc/88/04/46/1223880446.db2.gz RFFXHYPUEMEWOJ-IAGOWNOFSA-N 2 2 360.462 0.455 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975732 1223880450 /nfs/dbraw/zinc/88/04/50/1223880450.db2.gz RFFXHYPUEMEWOJ-IAGOWNOFSA-N 2 2 360.462 0.455 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531358 1223919271 /nfs/dbraw/zinc/91/92/71/1223919271.db2.gz ZYJJVLQLNOUNKV-FRRDWIJNSA-N 2 2 364.450 0.013 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214811520 1223944149 /nfs/dbraw/zinc/94/41/49/1223944149.db2.gz APYONSSLJZWYKN-VNQPRFMTSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214811520 1223944152 /nfs/dbraw/zinc/94/41/52/1223944152.db2.gz APYONSSLJZWYKN-VNQPRFMTSA-N 2 2 363.462 0.074 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005631 1223962944 /nfs/dbraw/zinc/96/29/44/1223962944.db2.gz BVRHNBRTHXMNJO-BZUAXINKSA-N 2 2 361.490 0.749 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215006179 1223963285 /nfs/dbraw/zinc/96/32/85/1223963285.db2.gz UPNBESNLHAFSKS-JKIFEVAISA-N 2 2 359.474 0.503 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705408 1224013122 /nfs/dbraw/zinc/01/31/22/1224013122.db2.gz KPSHNOBXIFHTCK-BZUAXINKSA-N 2 2 365.478 0.423 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215858594 1224021287 /nfs/dbraw/zinc/02/12/87/1224021287.db2.gz QCYALIQITLQTNE-IIAWOOMASA-N 2 2 365.478 0.178 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215858594 1224021291 /nfs/dbraw/zinc/02/12/91/1224021291.db2.gz QCYALIQITLQTNE-IIAWOOMASA-N 2 2 365.478 0.178 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001216065987 1224032367 /nfs/dbraw/zinc/03/23/67/1224032367.db2.gz WMUNZEOXWLDTDD-IIAWOOMASA-N 2 2 362.430 0.559 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216078155 1224033676 /nfs/dbraw/zinc/03/36/76/1224033676.db2.gz YFJNCESXJXTOOV-RBSFLKMASA-N 2 2 365.478 0.320 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)on1 ZINC001216382719 1224047537 /nfs/dbraw/zinc/04/75/37/1224047537.db2.gz APSXYJHYMGFNOG-BXUZGUMPSA-N 2 2 360.418 0.334 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCCCCn1cncn1 ZINC001216392777 1224048458 /nfs/dbraw/zinc/04/84/58/1224048458.db2.gz ORTZMSLKHHHVGC-NVXWUHKLSA-N 2 2 359.478 0.861 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n1 ZINC001216463271 1224052700 /nfs/dbraw/zinc/05/27/00/1224052700.db2.gz BMPDYVBAOUYJKG-HUUCEWRRSA-N 2 2 367.494 0.927 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001216490745 1224053244 /nfs/dbraw/zinc/05/32/44/1224053244.db2.gz NAXMGFXCPRMAKG-HUUCEWRRSA-N 2 2 367.494 0.927 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001216490745 1224053246 /nfs/dbraw/zinc/05/32/46/1224053246.db2.gz NAXMGFXCPRMAKG-HUUCEWRRSA-N 2 2 367.494 0.927 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001216565519 1224055859 /nfs/dbraw/zinc/05/58/59/1224055859.db2.gz MILFIHYAFHJWHN-MLGOLLRUSA-N 2 2 359.430 0.607 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216627216 1224059560 /nfs/dbraw/zinc/05/95/60/1224059560.db2.gz SQECOVRSLRJBSN-UKRRQHHQSA-N 2 2 371.445 0.218 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216804673 1224074128 /nfs/dbraw/zinc/07/41/28/1224074128.db2.gz LOMBPMMWNZKIGA-QGPMSJSTSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216805232 1224074347 /nfs/dbraw/zinc/07/43/47/1224074347.db2.gz YIRQSKGQZVKUTB-KYJSFNMBSA-N 2 2 366.506 0.058 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859370 1224079655 /nfs/dbraw/zinc/07/96/55/1224079655.db2.gz PIHJFYBVKMFAJN-KYJSFNMBSA-N 2 2 361.490 0.647 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001216993410 1224083071 /nfs/dbraw/zinc/08/30/71/1224083071.db2.gz DGOOCZLIWLDYEA-OWCLPIDISA-N 2 2 357.462 0.879 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C)n1C ZINC001216988620 1224083106 /nfs/dbraw/zinc/08/31/06/1224083106.db2.gz URHRCEHUJQVDNR-HUUCEWRRSA-N 2 2 359.478 0.991 20 0 FCADLP CCCn1cnc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001232798050 1226170545 /nfs/dbraw/zinc/17/05/45/1226170545.db2.gz YYNUXGGSAAHLSV-SJLPKXTDSA-N 2 2 363.506 0.904 20 0 FCADLP CCCn1cnc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001232798050 1226170549 /nfs/dbraw/zinc/17/05/49/1226170549.db2.gz YYNUXGGSAAHLSV-SJLPKXTDSA-N 2 2 363.506 0.904 20 0 FCADLP CCCn1cnc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001232798050 1226170551 /nfs/dbraw/zinc/17/05/51/1226170551.db2.gz YYNUXGGSAAHLSV-SJLPKXTDSA-N 2 2 363.506 0.904 20 0 FCADLP CCCn1cnc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001232798050 1226170553 /nfs/dbraw/zinc/17/05/53/1226170553.db2.gz YYNUXGGSAAHLSV-SJLPKXTDSA-N 2 2 363.506 0.904 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720290 1226173569 /nfs/dbraw/zinc/17/35/69/1226173569.db2.gz WAQJICLHYKKFKW-PKOBYXMFSA-N 2 2 364.490 0.985 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720290 1226173572 /nfs/dbraw/zinc/17/35/72/1226173572.db2.gz WAQJICLHYKKFKW-PKOBYXMFSA-N 2 2 364.490 0.985 20 0 FCADLP CN(C[C@H]1CCN1C(=O)C[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000978431955 1248753397 /nfs/dbraw/zinc/75/33/97/1248753397.db2.gz DNDZOCVJCKCFGM-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000983942829 1248791822 /nfs/dbraw/zinc/79/18/22/1248791822.db2.gz VOWDDLZARBBEDT-IKGGRYGDSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000983942829 1248791827 /nfs/dbraw/zinc/79/18/27/1248791827.db2.gz VOWDDLZARBBEDT-IKGGRYGDSA-N 2 2 361.490 0.968 20 0 FCADLP CCn1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1 ZINC000985495088 1248944491 /nfs/dbraw/zinc/94/44/91/1248944491.db2.gz IGZIXYQIKGUHBV-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1 ZINC000985495088 1248944505 /nfs/dbraw/zinc/94/45/05/1248944505.db2.gz IGZIXYQIKGUHBV-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000985495088 1248944510 /nfs/dbraw/zinc/94/45/10/1248944510.db2.gz IGZIXYQIKGUHBV-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC000985495088 1248944519 /nfs/dbraw/zinc/94/45/19/1248944519.db2.gz IGZIXYQIKGUHBV-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1)[NH+](C)C ZINC000993199800 1249373529 /nfs/dbraw/zinc/37/35/29/1249373529.db2.gz CNGIAHUHSKYAEG-ZSZQSSIHSA-N 2 2 361.490 0.908 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993314947 1249459167 /nfs/dbraw/zinc/45/91/67/1249459167.db2.gz BLTRZBHCSNLODN-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993314947 1249459172 /nfs/dbraw/zinc/45/91/72/1249459172.db2.gz BLTRZBHCSNLODN-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993325465 1249470228 /nfs/dbraw/zinc/47/02/28/1249470228.db2.gz NUPJMCVIQWYWBQ-KBXCAEBGSA-N 2 2 357.458 0.355 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993503489 1249598036 /nfs/dbraw/zinc/59/80/36/1249598036.db2.gz UCZVNNNUTXRMFG-URLQWDBASA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993503489 1249598060 /nfs/dbraw/zinc/59/80/60/1249598060.db2.gz UCZVNNNUTXRMFG-URLQWDBASA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993570927 1249711164 /nfs/dbraw/zinc/71/11/64/1249711164.db2.gz FQTGAZHCEYRQKO-NUEKZKHPSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993570927 1249711173 /nfs/dbraw/zinc/71/11/73/1249711173.db2.gz FQTGAZHCEYRQKO-NUEKZKHPSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000993577566 1249724909 /nfs/dbraw/zinc/72/49/09/1249724909.db2.gz KWMULMBPEDINRC-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000993577566 1249724918 /nfs/dbraw/zinc/72/49/18/1249724918.db2.gz KWMULMBPEDINRC-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993579514 1249728298 /nfs/dbraw/zinc/72/82/98/1249728298.db2.gz ASWYKVGKKKKVBE-BZUAXINKSA-N 2 2 361.490 0.829 20 0 FCADLP CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993579514 1249728307 /nfs/dbraw/zinc/72/83/07/1249728307.db2.gz ASWYKVGKKKKVBE-BZUAXINKSA-N 2 2 361.490 0.829 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000993579534 1249729978 /nfs/dbraw/zinc/72/99/78/1249729978.db2.gz RBNZBFHXCUUTHH-UPJWGTAASA-N 2 2 369.416 0.580 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000993579534 1249730005 /nfs/dbraw/zinc/73/00/05/1249730005.db2.gz RBNZBFHXCUUTHH-UPJWGTAASA-N 2 2 369.416 0.580 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000993584201 1249737844 /nfs/dbraw/zinc/73/78/44/1249737844.db2.gz OLKWRKAGZVZNTE-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000993584201 1249737855 /nfs/dbraw/zinc/73/78/55/1249737855.db2.gz OLKWRKAGZVZNTE-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000993589813 1249747751 /nfs/dbraw/zinc/74/77/51/1249747751.db2.gz VJZUNLDTVDDQSO-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C3CCC3)C2)CC[N@@H+]1C ZINC000993606103 1249794306 /nfs/dbraw/zinc/79/43/06/1249794306.db2.gz CEJGVPOTLMDECU-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C3CCC3)C2)CC[N@H+]1C ZINC000993606103 1249794342 /nfs/dbraw/zinc/79/43/42/1249794342.db2.gz CEJGVPOTLMDECU-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1c[nH+]cn1C ZINC000993608836 1249805101 /nfs/dbraw/zinc/80/51/01/1249805101.db2.gz YGKWKTMQLOOOIP-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1CC1 ZINC000993611774 1249810376 /nfs/dbraw/zinc/81/03/76/1249810376.db2.gz CVSISWUTKXNILP-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1CC1 ZINC000993611774 1249810397 /nfs/dbraw/zinc/81/03/97/1249810397.db2.gz CVSISWUTKXNILP-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)(F)F)C1)[NH+](C)C ZINC000993614103 1249818420 /nfs/dbraw/zinc/81/84/20/1249818420.db2.gz DLOTUPBHEGBUQV-UPJWGTAASA-N 2 2 371.432 0.826 20 0 FCADLP CC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1c[nH+]cn1C ZINC000993614058 1249821162 /nfs/dbraw/zinc/82/11/62/1249821162.db2.gz CBTPAQWWQGEKCT-HZPDHXFCSA-N 2 2 352.398 0.812 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC000993615143 1249823944 /nfs/dbraw/zinc/82/39/44/1249823944.db2.gz XBFHBGDGEVUKLV-ARLBYUKCSA-N 2 2 370.457 0.692 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1)[NH+](C)C ZINC000993617507 1249834556 /nfs/dbraw/zinc/83/45/56/1249834556.db2.gz GDQKGLGDTPJNBV-OXGONZEZSA-N 2 2 361.490 0.827 20 0 FCADLP 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359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC000998632435 1251936304 /nfs/dbraw/zinc/93/63/04/1251936304.db2.gz FPWVEJXMWPHGRJ-IWCQGFGOSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998660765 1251945349 /nfs/dbraw/zinc/94/53/49/1251945349.db2.gz XYUQSDXBDHGTLD-KBMXLJTQSA-N 2 2 357.458 0.307 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC[C@H]1C ZINC000999012222 1252023420 /nfs/dbraw/zinc/02/34/20/1252023420.db2.gz GIZPPGRSEGZQAV-IRWJRLHMSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC000999012222 1252023428 /nfs/dbraw/zinc/02/34/28/1252023428.db2.gz GIZPPGRSEGZQAV-IRWJRLHMSA-N 2 2 359.474 0.993 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000999425743 1252114697 /nfs/dbraw/zinc/11/46/97/1252114697.db2.gz HKGQODJSIWCOMO-QDIHITRGSA-N 2 2 359.474 0.725 20 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C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCN1C ZINC001518799290 1265681045 /nfs/dbraw/zinc/68/10/45/1265681045.db2.gz AQLIYBBNAPKZGN-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001518799290 1265681056 /nfs/dbraw/zinc/68/10/56/1265681056.db2.gz AQLIYBBNAPKZGN-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[NH+]1C ZINC001518799290 1265681070 /nfs/dbraw/zinc/68/10/70/1265681070.db2.gz AQLIYBBNAPKZGN-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[NH+]1C ZINC001518799290 1265681084 /nfs/dbraw/zinc/68/10/84/1265681084.db2.gz AQLIYBBNAPKZGN-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001518799290 1265681091 /nfs/dbraw/zinc/68/10/91/1265681091.db2.gz AQLIYBBNAPKZGN-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001518799290 1265681100 /nfs/dbraw/zinc/68/11/00/1265681100.db2.gz AQLIYBBNAPKZGN-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003334438 1252851746 /nfs/dbraw/zinc/85/17/46/1252851746.db2.gz VWEJMCABPFXGJX-HUUCEWRRSA-N 2 2 357.458 0.194 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329083001 1265688986 /nfs/dbraw/zinc/68/89/86/1265688986.db2.gz TYJKDACVZZQTIJ-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329083001 1265688996 /nfs/dbraw/zinc/68/89/96/1265688996.db2.gz TYJKDACVZZQTIJ-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001003664137 1253044770 /nfs/dbraw/zinc/04/47/70/1253044770.db2.gz XRUDICJFQSOXAC-VQHPVUNQSA-N 2 2 371.485 0.789 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4[NH2+]C[C@@H]5C[C@@H]54)n3)cn2)CC1 ZINC001329146549 1265701391 /nfs/dbraw/zinc/70/13/91/1265701391.db2.gz CFNLDRWGFDVMPE-KCQAQPDRSA-N 2 2 354.414 0.800 20 0 FCADLP C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001003744364 1253087579 /nfs/dbraw/zinc/08/75/79/1253087579.db2.gz UKXPDNOIYQRHFE-ZACQAIPSSA-N 2 2 359.474 0.863 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003747329 1253091155 /nfs/dbraw/zinc/09/11/55/1253091155.db2.gz ZIFXULPRAUFCEN-ZACQAIPSSA-N 2 2 373.501 0.943 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c[nH+]cn1C ZINC001004210116 1253248092 /nfs/dbraw/zinc/24/80/92/1253248092.db2.gz FRIRYTWMOZYSMB-OIISXLGYSA-N 2 2 370.457 0.806 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001004369902 1253304086 /nfs/dbraw/zinc/30/40/86/1253304086.db2.gz ISRXVZLFDIKWHS-OIISXLGYSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004369902 1253304093 /nfs/dbraw/zinc/30/40/93/1253304093.db2.gz ISRXVZLFDIKWHS-OIISXLGYSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392640 1253311812 /nfs/dbraw/zinc/31/18/12/1253311812.db2.gz VXQHJOHPBMBOJT-OIISXLGYSA-N 2 2 371.485 0.697 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001004813664 1253410353 /nfs/dbraw/zinc/41/03/53/1253410353.db2.gz AWNQLGNFFLYPFR-BMFZPTHFSA-N 2 2 357.458 0.605 20 0 FCADLP CN(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001519642176 1265741629 /nfs/dbraw/zinc/74/16/29/1265741629.db2.gz NXTDQCJIZMVHPZ-XYPWUTKMSA-N 2 2 352.479 0.702 20 0 FCADLP CN(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001519642176 1265741636 /nfs/dbraw/zinc/74/16/36/1265741636.db2.gz NXTDQCJIZMVHPZ-XYPWUTKMSA-N 2 2 352.479 0.702 20 0 FCADLP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001005579530 1253582944 /nfs/dbraw/zinc/58/29/44/1253582944.db2.gz AIBWJYZBXNBNLX-CZUORRHYSA-N 2 2 366.462 0.825 20 0 FCADLP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001005579530 1253582947 /nfs/dbraw/zinc/58/29/47/1253582947.db2.gz AIBWJYZBXNBNLX-CZUORRHYSA-N 2 2 366.462 0.825 20 0 FCADLP CN(C(=O)NCC[NH+]1CCC2(C1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001519642176 1265741618 /nfs/dbraw/zinc/74/16/18/1265741618.db2.gz NXTDQCJIZMVHPZ-XYPWUTKMSA-N 2 2 352.479 0.702 20 0 FCADLP CN(C(=O)NCC[NH+]1CCC2(C1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001519642176 1265741623 /nfs/dbraw/zinc/74/16/23/1265741623.db2.gz NXTDQCJIZMVHPZ-XYPWUTKMSA-N 2 2 352.479 0.702 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001006187237 1253724346 /nfs/dbraw/zinc/72/43/46/1253724346.db2.gz ZFDUDJHKGZSXSC-RRQGHBQHSA-N 2 2 361.490 0.656 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001006187237 1253724350 /nfs/dbraw/zinc/72/43/50/1253724350.db2.gz ZFDUDJHKGZSXSC-RRQGHBQHSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001022173229 1253797686 /nfs/dbraw/zinc/79/76/86/1253797686.db2.gz CPAUPZVBILYSCW-GOEBONIOSA-N 2 2 356.430 0.227 20 0 FCADLP CC(C)n1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029740901 1253868196 /nfs/dbraw/zinc/86/81/96/1253868196.db2.gz CXLSDMQTSHGXGR-OWCLPIDISA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029740901 1253868201 /nfs/dbraw/zinc/86/82/01/1253868201.db2.gz CXLSDMQTSHGXGR-OWCLPIDISA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029740901 1253868207 /nfs/dbraw/zinc/86/82/07/1253868207.db2.gz CXLSDMQTSHGXGR-OWCLPIDISA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029740901 1253868212 /nfs/dbraw/zinc/86/82/12/1253868212.db2.gz CXLSDMQTSHGXGR-OWCLPIDISA-N 2 2 363.510 0.875 20 0 FCADLP CCn1nncc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767327 1253869785 /nfs/dbraw/zinc/86/97/85/1253869785.db2.gz OHNKXYKYQVZQLG-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1nncc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767327 1253869792 /nfs/dbraw/zinc/86/97/92/1253869792.db2.gz OHNKXYKYQVZQLG-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1nncc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767327 1253869805 /nfs/dbraw/zinc/86/98/05/1253869805.db2.gz OHNKXYKYQVZQLG-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1nncc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767327 1253869811 /nfs/dbraw/zinc/86/98/11/1253869811.db2.gz OHNKXYKYQVZQLG-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP COc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766757 1253872380 /nfs/dbraw/zinc/87/23/80/1253872380.db2.gz GBTCKYIKVNIZDR-IJEWVQPXSA-N 2 2 366.462 0.683 20 0 FCADLP COc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766757 1253872383 /nfs/dbraw/zinc/87/23/83/1253872383.db2.gz GBTCKYIKVNIZDR-IJEWVQPXSA-N 2 2 366.462 0.683 20 0 FCADLP COc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766757 1253872391 /nfs/dbraw/zinc/87/23/91/1253872391.db2.gz GBTCKYIKVNIZDR-IJEWVQPXSA-N 2 2 366.462 0.683 20 0 FCADLP COc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766757 1253872402 /nfs/dbraw/zinc/87/24/02/1253872402.db2.gz GBTCKYIKVNIZDR-IJEWVQPXSA-N 2 2 366.462 0.683 20 0 FCADLP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767620 1253875856 /nfs/dbraw/zinc/87/58/56/1253875856.db2.gz VZOQXIBTVKQKKS-SOLBZPMBSA-N 2 2 363.506 0.728 20 0 FCADLP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767620 1253875863 /nfs/dbraw/zinc/87/58/63/1253875863.db2.gz VZOQXIBTVKQKKS-SOLBZPMBSA-N 2 2 363.506 0.728 20 0 FCADLP Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767620 1253875866 /nfs/dbraw/zinc/87/58/66/1253875866.db2.gz VZOQXIBTVKQKKS-SOLBZPMBSA-N 2 2 363.506 0.728 20 0 FCADLP Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767620 1253875878 /nfs/dbraw/zinc/87/58/78/1253875878.db2.gz VZOQXIBTVKQKKS-SOLBZPMBSA-N 2 2 363.506 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccnc(N(C)C)c3)C2)O1 ZINC001031769833 1253892508 /nfs/dbraw/zinc/89/25/08/1253892508.db2.gz QYUYUJOGQFXXEY-RHSMWYFYSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccnc(N(C)C)c3)C2)O1 ZINC001031769833 1253892525 /nfs/dbraw/zinc/89/25/25/1253892525.db2.gz QYUYUJOGQFXXEY-RHSMWYFYSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCOc3ccc(F)cc3)C2)O1 ZINC001031765432 1253894237 /nfs/dbraw/zinc/89/42/37/1253894237.db2.gz GIGJVURTYDGVKD-RDTXWAMCSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCOc3ccc(F)cc3)C2)O1 ZINC001031765432 1253894258 /nfs/dbraw/zinc/89/42/58/1253894258.db2.gz GIGJVURTYDGVKD-RDTXWAMCSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001031765462 1253895480 /nfs/dbraw/zinc/89/54/80/1253895480.db2.gz HKWQEMDYXCPAQT-CXAGYDPISA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001031765462 1253895487 /nfs/dbraw/zinc/89/54/87/1253895487.db2.gz HKWQEMDYXCPAQT-CXAGYDPISA-N 2 2 360.458 0.053 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001033432293 1253965334 /nfs/dbraw/zinc/96/53/34/1253965334.db2.gz LZEODAMANLWYMI-BRWVUGGUSA-N 2 2 371.489 0.965 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001033432293 1253965341 /nfs/dbraw/zinc/96/53/41/1253965341.db2.gz LZEODAMANLWYMI-BRWVUGGUSA-N 2 2 371.489 0.965 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001034216981 1253983255 /nfs/dbraw/zinc/98/32/55/1253983255.db2.gz MTFRKCCEIISVGT-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001034216981 1253983257 /nfs/dbraw/zinc/98/32/57/1253983257.db2.gz MTFRKCCEIISVGT-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001034216981 1253983258 /nfs/dbraw/zinc/98/32/58/1253983258.db2.gz MTFRKCCEIISVGT-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001034216981 1253983259 /nfs/dbraw/zinc/98/32/59/1253983259.db2.gz MTFRKCCEIISVGT-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001034736722 1254005462 /nfs/dbraw/zinc/00/54/62/1254005462.db2.gz JTWSZLWXGMCXOF-QCODTGAPSA-N 2 2 359.474 0.771 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)O1 ZINC001034821023 1254008615 /nfs/dbraw/zinc/00/86/15/1254008615.db2.gz NYTOJSMATWEJFS-CXAGYDPISA-N 2 2 359.430 0.695 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)O1 ZINC001034821023 1254008624 /nfs/dbraw/zinc/00/86/24/1254008624.db2.gz NYTOJSMATWEJFS-CXAGYDPISA-N 2 2 359.430 0.695 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063660457 1254369541 /nfs/dbraw/zinc/36/95/41/1254369541.db2.gz BNFPOAWXXOPAQD-HUUCEWRRSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063660457 1254369552 /nfs/dbraw/zinc/36/95/52/1254369552.db2.gz BNFPOAWXXOPAQD-HUUCEWRRSA-N 2 2 363.462 0.066 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001329815806 1265858964 /nfs/dbraw/zinc/85/89/64/1265858964.db2.gz WYOKDXXFLICJJC-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001329815806 1265858977 /nfs/dbraw/zinc/85/89/77/1265858977.db2.gz WYOKDXXFLICJJC-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001329815805 1265859703 /nfs/dbraw/zinc/85/97/03/1265859703.db2.gz WYOKDXXFLICJJC-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC001329815805 1265859714 /nfs/dbraw/zinc/85/97/14/1265859714.db2.gz WYOKDXXFLICJJC-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001065211121 1254491781 /nfs/dbraw/zinc/49/17/81/1254491781.db2.gz ISQWEADUAPKEMU-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001065211121 1254491785 /nfs/dbraw/zinc/49/17/85/1254491785.db2.gz ISQWEADUAPKEMU-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001065211121 1254491789 /nfs/dbraw/zinc/49/17/89/1254491789.db2.gz ISQWEADUAPKEMU-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001065211121 1254491793 /nfs/dbraw/zinc/49/17/93/1254491793.db2.gz ISQWEADUAPKEMU-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001065212776 1254496221 /nfs/dbraw/zinc/49/62/21/1254496221.db2.gz VPNDGBDBRAKDPY-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001065212776 1254496225 /nfs/dbraw/zinc/49/62/25/1254496225.db2.gz VPNDGBDBRAKDPY-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCC1 ZINC001075967680 1254659456 /nfs/dbraw/zinc/65/94/56/1254659456.db2.gz RPOGHIHNPABROP-ZMSDIMECSA-N 2 2 357.458 0.211 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCC1 ZINC001075967680 1254659469 /nfs/dbraw/zinc/65/94/69/1254659469.db2.gz RPOGHIHNPABROP-ZMSDIMECSA-N 2 2 357.458 0.211 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444196 1254664679 /nfs/dbraw/zinc/66/46/79/1254664679.db2.gz OKXDUHIZGNCSMN-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444196 1254664684 /nfs/dbraw/zinc/66/46/84/1254664684.db2.gz OKXDUHIZGNCSMN-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@H]1O)CC2 ZINC001077583959 1254736839 /nfs/dbraw/zinc/73/68/39/1254736839.db2.gz VQXWGGQBFTYZNU-ZTFGCOKTSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@H]1O)CC2 ZINC001077583959 1254736845 /nfs/dbraw/zinc/73/68/45/1254736845.db2.gz VQXWGGQBFTYZNU-ZTFGCOKTSA-N 2 2 362.474 0.484 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618212 1254783721 /nfs/dbraw/zinc/78/37/21/1254783721.db2.gz BLRJZMPBJPKNET-IAGOWNOFSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618212 1254783736 /nfs/dbraw/zinc/78/37/36/1254783736.db2.gz BLRJZMPBJPKNET-IAGOWNOFSA-N 2 2 365.449 0.837 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001077656755 1254829961 /nfs/dbraw/zinc/82/99/61/1254829961.db2.gz XMXBHLVKXIMHAR-USXIJHARSA-N 2 2 362.474 0.808 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001077656755 1254829974 /nfs/dbraw/zinc/82/99/74/1254829974.db2.gz XMXBHLVKXIMHAR-USXIJHARSA-N 2 2 362.474 0.808 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680763 1254871279 /nfs/dbraw/zinc/87/12/79/1254871279.db2.gz VXJKFIZXZKHZID-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680763 1254871283 /nfs/dbraw/zinc/87/12/83/1254871283.db2.gz VXJKFIZXZKHZID-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680763 1254871290 /nfs/dbraw/zinc/87/12/90/1254871290.db2.gz VXJKFIZXZKHZID-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680763 1254871305 /nfs/dbraw/zinc/87/13/05/1254871305.db2.gz VXJKFIZXZKHZID-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077697859 1254899863 /nfs/dbraw/zinc/89/98/63/1254899863.db2.gz DVDFPGIGJSLQER-YFHUEUNASA-N 2 2 362.474 0.502 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001077697859 1254899870 /nfs/dbraw/zinc/89/98/70/1254899870.db2.gz DVDFPGIGJSLQER-YFHUEUNASA-N 2 2 362.474 0.502 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001077778960 1254981211 /nfs/dbraw/zinc/98/12/11/1254981211.db2.gz ACYBBEKAVYZPOW-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001077778960 1254981219 /nfs/dbraw/zinc/98/12/19/1254981219.db2.gz ACYBBEKAVYZPOW-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001077933054 1255108735 /nfs/dbraw/zinc/10/87/35/1255108735.db2.gz URABJKJZZROEKN-ZTFGCOKTSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001077933054 1255108738 /nfs/dbraw/zinc/10/87/38/1255108738.db2.gz URABJKJZZROEKN-ZTFGCOKTSA-N 2 2 356.426 0.684 20 0 FCADLP 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CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082702994 1256994945 /nfs/dbraw/zinc/99/49/45/1256994945.db2.gz RYVIESXQXZTJFQ-OIISXLGYSA-N 2 2 364.494 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082709865 1257001368 /nfs/dbraw/zinc/00/13/68/1257001368.db2.gz UNZCHHVTXSIMHR-DGCLKSJQSA-N 2 2 362.434 0.013 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C)[nH]1 ZINC001082743226 1257022692 /nfs/dbraw/zinc/02/26/92/1257022692.db2.gz ONNRSCUHCOWAKM-DJSGYFEHSA-N 2 2 357.462 0.817 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC001082823669 1257081695 /nfs/dbraw/zinc/08/16/95/1257081695.db2.gz FKXLUHGJIIZCRH-MLGOLLRUSA-N 2 2 369.429 0.977 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082826973 1257084452 /nfs/dbraw/zinc/08/44/52/1257084452.db2.gz VCGZRXQZEPCWIY-IUODEOHRSA-N 2 2 367.417 0.041 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082826860 1257085069 /nfs/dbraw/zinc/08/50/69/1257085069.db2.gz OADPEFGIXVEVBV-MLGOLLRUSA-N 2 2 353.386 0.901 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001082861865 1257113676 /nfs/dbraw/zinc/11/36/76/1257113676.db2.gz QZBWFTCSQBIZDC-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001082861865 1257113680 /nfs/dbraw/zinc/11/36/80/1257113680.db2.gz QZBWFTCSQBIZDC-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082861768 1257114000 /nfs/dbraw/zinc/11/40/00/1257114000.db2.gz OAAZJXYPXVDFST-QLFBSQMISA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082861768 1257114002 /nfs/dbraw/zinc/11/40/02/1257114002.db2.gz OAAZJXYPXVDFST-QLFBSQMISA-N 2 2 363.510 0.706 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001082922733 1257147123 /nfs/dbraw/zinc/14/71/23/1257147123.db2.gz YROFNVNMCFSCIE-CXAGYDPISA-N 2 2 357.462 0.830 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923499 1257147869 /nfs/dbraw/zinc/14/78/69/1257147869.db2.gz MCKPJLAEFLORTB-HLLBOEOZSA-N 2 2 361.490 0.690 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082935367 1257156082 /nfs/dbraw/zinc/15/60/82/1257156082.db2.gz XYRNJNSBABGHRJ-NXHRZFHOSA-N 2 2 361.490 0.430 20 0 FCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1 ZINC001082957740 1257167711 /nfs/dbraw/zinc/16/77/11/1257167711.db2.gz DUYNRQDPBIGOOC-RHSMWYFYSA-N 2 2 355.442 0.879 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)n1 ZINC001083024419 1257214206 /nfs/dbraw/zinc/21/42/06/1257214206.db2.gz MYCXKXYAPHLBRQ-FGTMMUONSA-N 2 2 361.490 0.506 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)n1 ZINC001083024419 1257214211 /nfs/dbraw/zinc/21/42/11/1257214211.db2.gz MYCXKXYAPHLBRQ-FGTMMUONSA-N 2 2 361.490 0.506 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024419 1257214216 /nfs/dbraw/zinc/21/42/16/1257214216.db2.gz MYCXKXYAPHLBRQ-FGTMMUONSA-N 2 2 361.490 0.506 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024419 1257214222 /nfs/dbraw/zinc/21/42/22/1257214222.db2.gz MYCXKXYAPHLBRQ-FGTMMUONSA-N 2 2 361.490 0.506 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083065534 1257260180 /nfs/dbraw/zinc/26/01/80/1257260180.db2.gz HQRKJPCCTDDDMT-JKSUJKDBSA-N 2 2 358.446 0.230 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083065534 1257260184 /nfs/dbraw/zinc/26/01/84/1257260184.db2.gz HQRKJPCCTDDDMT-JKSUJKDBSA-N 2 2 358.446 0.230 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cnn(C)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083087647 1257288429 /nfs/dbraw/zinc/28/84/29/1257288429.db2.gz WNKQPYJZDQLBBI-XWTMOSNGSA-N 2 2 361.490 0.562 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cnn(C)c4)C[C@@H]32)CC[N@H+]1C ZINC001083087647 1257288432 /nfs/dbraw/zinc/28/84/32/1257288432.db2.gz WNKQPYJZDQLBBI-XWTMOSNGSA-N 2 2 361.490 0.562 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083087647 1257288437 /nfs/dbraw/zinc/28/84/37/1257288437.db2.gz WNKQPYJZDQLBBI-XWTMOSNGSA-N 2 2 361.490 0.562 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083087647 1257288443 /nfs/dbraw/zinc/28/84/43/1257288443.db2.gz WNKQPYJZDQLBBI-XWTMOSNGSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286699 1266108389 /nfs/dbraw/zinc/10/83/89/1266108389.db2.gz NNUROIWQADXYAO-HKUYNNGSSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286699 1266108394 /nfs/dbraw/zinc/10/83/94/1266108394.db2.gz NNUROIWQADXYAO-HKUYNNGSSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286699 1266108397 /nfs/dbraw/zinc/10/83/97/1266108397.db2.gz NNUROIWQADXYAO-HKUYNNGSSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286699 1266108402 /nfs/dbraw/zinc/10/84/02/1266108402.db2.gz NNUROIWQADXYAO-HKUYNNGSSA-N 2 2 363.550 0.392 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885259 1266111802 /nfs/dbraw/zinc/11/18/02/1266111802.db2.gz GDOCAMBQWBKKPQ-QZTJIDSGSA-N 2 2 358.486 0.932 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885259 1266111805 /nfs/dbraw/zinc/11/18/05/1266111805.db2.gz GDOCAMBQWBKKPQ-QZTJIDSGSA-N 2 2 358.486 0.932 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]21 ZINC001083144042 1257398383 /nfs/dbraw/zinc/39/83/83/1257398383.db2.gz MSYXILBRKFYHHS-DLBZAZTESA-N 2 2 358.446 0.345 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]21 ZINC001083144042 1257398392 /nfs/dbraw/zinc/39/83/92/1257398392.db2.gz MSYXILBRKFYHHS-DLBZAZTESA-N 2 2 358.446 0.345 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001083144517 1257399127 /nfs/dbraw/zinc/39/91/27/1257399127.db2.gz KVNXINDASKKALU-DLBZAZTESA-N 2 2 371.441 0.002 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001083144517 1257399136 /nfs/dbraw/zinc/39/91/36/1257399136.db2.gz KVNXINDASKKALU-DLBZAZTESA-N 2 2 371.441 0.002 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144411 1257400094 /nfs/dbraw/zinc/40/00/94/1257400094.db2.gz FSQJHGOQLZQRDY-OWCLPIDISA-N 2 2 357.414 0.123 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144411 1257400098 /nfs/dbraw/zinc/40/00/98/1257400098.db2.gz FSQJHGOQLZQRDY-OWCLPIDISA-N 2 2 357.414 0.123 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083645214 1257464198 /nfs/dbraw/zinc/46/41/98/1257464198.db2.gz PWWFTBNCMJBSBO-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083645214 1257464201 /nfs/dbraw/zinc/46/42/01/1257464201.db2.gz PWWFTBNCMJBSBO-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)ccn1 ZINC001083749420 1257488081 /nfs/dbraw/zinc/48/80/81/1257488081.db2.gz YDUYHZZCQJTSQQ-SJORKVTESA-N 2 2 361.490 0.151 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)ccn1 ZINC001083749420 1257488084 /nfs/dbraw/zinc/48/80/84/1257488084.db2.gz YDUYHZZCQJTSQQ-SJORKVTESA-N 2 2 361.490 0.151 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778362 1257519232 /nfs/dbraw/zinc/51/92/32/1257519232.db2.gz JWUHWMJROMYLDJ-OIISXLGYSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778362 1257519238 /nfs/dbraw/zinc/51/92/38/1257519238.db2.gz JWUHWMJROMYLDJ-OIISXLGYSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778362 1257519241 /nfs/dbraw/zinc/51/92/41/1257519241.db2.gz JWUHWMJROMYLDJ-OIISXLGYSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778362 1257519246 /nfs/dbraw/zinc/51/92/46/1257519246.db2.gz JWUHWMJROMYLDJ-OIISXLGYSA-N 2 2 361.490 0.293 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915393 1257697432 /nfs/dbraw/zinc/69/74/32/1257697432.db2.gz PBPNIYQWRZXEJW-XYPHTWIQSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915393 1257697440 /nfs/dbraw/zinc/69/74/40/1257697440.db2.gz PBPNIYQWRZXEJW-XYPHTWIQSA-N 2 2 357.414 0.079 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937116 1257723262 /nfs/dbraw/zinc/72/32/62/1257723262.db2.gz MZJDTFFNBKBKRC-MSOLQXFVSA-N 2 2 361.490 0.203 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083954104 1257741942 /nfs/dbraw/zinc/74/19/42/1257741942.db2.gz KXHDJDYESVJCSY-MSOLQXFVSA-N 2 2 364.490 0.863 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083954104 1257741946 /nfs/dbraw/zinc/74/19/46/1257741946.db2.gz KXHDJDYESVJCSY-MSOLQXFVSA-N 2 2 364.490 0.863 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001083954371 1257743087 /nfs/dbraw/zinc/74/30/87/1257743087.db2.gz XBEYXJHTVAZZQY-BEVDRBHNSA-N 2 2 368.481 0.929 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001083954371 1257743090 /nfs/dbraw/zinc/74/30/90/1257743090.db2.gz XBEYXJHTVAZZQY-BEVDRBHNSA-N 2 2 368.481 0.929 20 0 FCADLP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083955159 1257743931 /nfs/dbraw/zinc/74/39/31/1257743931.db2.gz YXTZQIJATYVMNW-MSOLQXFVSA-N 2 2 358.442 0.511 20 0 FCADLP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083955159 1257743935 /nfs/dbraw/zinc/74/39/35/1257743935.db2.gz YXTZQIJATYVMNW-MSOLQXFVSA-N 2 2 358.442 0.511 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955121 1257744467 /nfs/dbraw/zinc/74/44/67/1257744467.db2.gz XINIIWOBVYKLIB-JQHSSLGASA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955121 1257744472 /nfs/dbraw/zinc/74/44/72/1257744472.db2.gz XINIIWOBVYKLIB-JQHSSLGASA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955121 1257744476 /nfs/dbraw/zinc/74/44/76/1257744476.db2.gz XINIIWOBVYKLIB-JQHSSLGASA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955121 1257744479 /nfs/dbraw/zinc/74/44/79/1257744479.db2.gz XINIIWOBVYKLIB-JQHSSLGASA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955122 1257744763 /nfs/dbraw/zinc/74/47/63/1257744763.db2.gz XINIIWOBVYKLIB-NXHRZFHOSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083955122 1257744768 /nfs/dbraw/zinc/74/47/68/1257744768.db2.gz XINIIWOBVYKLIB-NXHRZFHOSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083955122 1257744772 /nfs/dbraw/zinc/74/47/72/1257744772.db2.gz XINIIWOBVYKLIB-NXHRZFHOSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955122 1257744777 /nfs/dbraw/zinc/74/47/77/1257744777.db2.gz XINIIWOBVYKLIB-NXHRZFHOSA-N 2 2 363.506 0.776 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957729 1257747063 /nfs/dbraw/zinc/74/70/63/1257747063.db2.gz NASNRZWXENFFFU-CVEARBPZSA-N 2 2 363.433 0.591 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957729 1257747067 /nfs/dbraw/zinc/74/70/67/1257747067.db2.gz NASNRZWXENFFFU-CVEARBPZSA-N 2 2 363.433 0.591 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083997752 1257784657 /nfs/dbraw/zinc/78/46/57/1257784657.db2.gz LNNGQVVOPKQEKP-MOPGFXCFSA-N 2 2 370.453 0.695 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083997752 1257784660 /nfs/dbraw/zinc/78/46/60/1257784660.db2.gz LNNGQVVOPKQEKP-MOPGFXCFSA-N 2 2 370.453 0.695 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053701 1257866475 /nfs/dbraw/zinc/86/64/75/1257866475.db2.gz HWWGKBQTGKCQIW-XHSDSOJGSA-N 2 2 361.442 0.071 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053701 1257866481 /nfs/dbraw/zinc/86/64/81/1257866481.db2.gz HWWGKBQTGKCQIW-XHSDSOJGSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053701 1257866489 /nfs/dbraw/zinc/86/64/89/1257866489.db2.gz HWWGKBQTGKCQIW-XHSDSOJGSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053701 1257866497 /nfs/dbraw/zinc/86/64/97/1257866497.db2.gz HWWGKBQTGKCQIW-XHSDSOJGSA-N 2 2 361.442 0.071 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001084116286 1257935115 /nfs/dbraw/zinc/93/51/15/1257935115.db2.gz IZNJKAIQOFCUTD-LZQZEXGQSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001084116286 1257935118 /nfs/dbraw/zinc/93/51/18/1257935118.db2.gz IZNJKAIQOFCUTD-LZQZEXGQSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084311758 1258016020 /nfs/dbraw/zinc/01/60/20/1258016020.db2.gz XABXUDDWYZSTTQ-QLFBSQMISA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084311758 1258016025 /nfs/dbraw/zinc/01/60/25/1258016025.db2.gz XABXUDDWYZSTTQ-QLFBSQMISA-N 2 2 355.446 0.654 20 0 FCADLP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001084488308 1258132880 /nfs/dbraw/zinc/13/28/80/1258132880.db2.gz WGRAVEBOPNEBFO-HYVNUMGLSA-N 2 2 353.426 0.711 20 0 FCADLP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001084488308 1258132883 /nfs/dbraw/zinc/13/28/83/1258132883.db2.gz WGRAVEBOPNEBFO-HYVNUMGLSA-N 2 2 353.426 0.711 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084522918 1258148984 /nfs/dbraw/zinc/14/89/84/1258148984.db2.gz OLQHMJZHDKVVLN-IXDOHACOSA-N 2 2 359.474 0.734 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084522918 1258148988 /nfs/dbraw/zinc/14/89/88/1258148988.db2.gz OLQHMJZHDKVVLN-IXDOHACOSA-N 2 2 359.474 0.734 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598680 1258191611 /nfs/dbraw/zinc/19/16/11/1258191611.db2.gz ASXIWILWWZWUAR-JFIYKMOQSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598680 1258191616 /nfs/dbraw/zinc/19/16/16/1258191616.db2.gz ASXIWILWWZWUAR-JFIYKMOQSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598680 1258191618 /nfs/dbraw/zinc/19/16/18/1258191618.db2.gz ASXIWILWWZWUAR-JFIYKMOQSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598680 1258191621 /nfs/dbraw/zinc/19/16/21/1258191621.db2.gz ASXIWILWWZWUAR-JFIYKMOQSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001084613044 1258199933 /nfs/dbraw/zinc/19/99/33/1258199933.db2.gz YRIWXLLAXFIBLH-JFIYKMOQSA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001084613044 1258199937 /nfs/dbraw/zinc/19/99/37/1258199937.db2.gz YRIWXLLAXFIBLH-JFIYKMOQSA-N 2 2 371.485 0.519 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CC[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664380 1258226356 /nfs/dbraw/zinc/22/63/56/1258226356.db2.gz SXWZCUCLKAAJIZ-RBSFLKMASA-N 2 2 362.474 0.056 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664380 1258226361 /nfs/dbraw/zinc/22/63/61/1258226361.db2.gz SXWZCUCLKAAJIZ-RBSFLKMASA-N 2 2 362.474 0.056 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664380 1258226368 /nfs/dbraw/zinc/22/63/68/1258226368.db2.gz SXWZCUCLKAAJIZ-RBSFLKMASA-N 2 2 362.474 0.056 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664380 1258226375 /nfs/dbraw/zinc/22/63/75/1258226375.db2.gz SXWZCUCLKAAJIZ-RBSFLKMASA-N 2 2 362.474 0.056 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084739059 1258280309 /nfs/dbraw/zinc/28/03/09/1258280309.db2.gz PFWOXHLWCAKMTL-OWCLPIDISA-N 2 2 362.474 0.056 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084739059 1258280312 /nfs/dbraw/zinc/28/03/12/1258280312.db2.gz PFWOXHLWCAKMTL-OWCLPIDISA-N 2 2 362.474 0.056 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084773697 1258316223 /nfs/dbraw/zinc/31/62/23/1258316223.db2.gz YXAWGPFWSJVGDR-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084773697 1258316232 /nfs/dbraw/zinc/31/62/32/1258316232.db2.gz YXAWGPFWSJVGDR-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001084773697 1258316241 /nfs/dbraw/zinc/31/62/41/1258316241.db2.gz YXAWGPFWSJVGDR-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001084773697 1258316247 /nfs/dbraw/zinc/31/62/47/1258316247.db2.gz YXAWGPFWSJVGDR-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084776215 1258319341 /nfs/dbraw/zinc/31/93/41/1258319341.db2.gz OTIULPCZEAMWRR-NVXWUHKLSA-N 2 2 355.442 0.394 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084776215 1258319349 /nfs/dbraw/zinc/31/93/49/1258319349.db2.gz OTIULPCZEAMWRR-NVXWUHKLSA-N 2 2 355.442 0.394 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001331244007 1266178197 /nfs/dbraw/zinc/17/81/97/1266178197.db2.gz QBVDWUHADXJTKK-HNNXBMFYSA-N 2 2 359.474 0.778 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829856 1258375854 /nfs/dbraw/zinc/37/58/54/1258375854.db2.gz BDEVFTKKPPATKM-BFYDXBDKSA-N 2 2 359.474 0.778 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829856 1258375863 /nfs/dbraw/zinc/37/58/63/1258375863.db2.gz BDEVFTKKPPATKM-BFYDXBDKSA-N 2 2 359.474 0.778 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829856 1258375872 /nfs/dbraw/zinc/37/58/72/1258375872.db2.gz BDEVFTKKPPATKM-BFYDXBDKSA-N 2 2 359.474 0.778 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829856 1258375878 /nfs/dbraw/zinc/37/58/78/1258375878.db2.gz BDEVFTKKPPATKM-BFYDXBDKSA-N 2 2 359.474 0.778 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911533 1258433486 /nfs/dbraw/zinc/43/34/86/1258433486.db2.gz JXVTZENMPPOSBV-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911533 1258433490 /nfs/dbraw/zinc/43/34/90/1258433490.db2.gz JXVTZENMPPOSBV-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911533 1258433494 /nfs/dbraw/zinc/43/34/94/1258433494.db2.gz JXVTZENMPPOSBV-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911533 1258433497 /nfs/dbraw/zinc/43/34/97/1258433497.db2.gz JXVTZENMPPOSBV-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084963161 1258476413 /nfs/dbraw/zinc/47/64/13/1258476413.db2.gz BXBZMGLKHPPBRY-ANQUJSFKSA-N 2 2 372.473 0.461 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084963161 1258476414 /nfs/dbraw/zinc/47/64/14/1258476414.db2.gz BXBZMGLKHPPBRY-ANQUJSFKSA-N 2 2 372.473 0.461 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)NC1CCCC1 ZINC001085043888 1258541834 /nfs/dbraw/zinc/54/18/34/1258541834.db2.gz KURPAQSKRYCEDM-PBHICJAKSA-N 2 2 359.474 0.934 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)NC1CCCC1 ZINC001085043888 1258541837 /nfs/dbraw/zinc/54/18/37/1258541837.db2.gz KURPAQSKRYCEDM-PBHICJAKSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001085053391 1258548330 /nfs/dbraw/zinc/54/83/30/1258548330.db2.gz SFPUJIBQQGRQBY-UXLLHSPISA-N 2 2 357.462 0.803 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001085053391 1258548334 /nfs/dbraw/zinc/54/83/34/1258548334.db2.gz SFPUJIBQQGRQBY-UXLLHSPISA-N 2 2 357.462 0.803 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001085053391 1258548338 /nfs/dbraw/zinc/54/83/38/1258548338.db2.gz SFPUJIBQQGRQBY-UXLLHSPISA-N 2 2 357.462 0.803 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001085053391 1258548343 /nfs/dbraw/zinc/54/83/43/1258548343.db2.gz SFPUJIBQQGRQBY-UXLLHSPISA-N 2 2 357.462 0.803 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21)C1CC1 ZINC001085075067 1258569325 /nfs/dbraw/zinc/56/93/25/1258569325.db2.gz PCBYUXHIENTLDU-PBHICJAKSA-N 2 2 359.474 0.506 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21)C1CC1 ZINC001085075067 1258569329 /nfs/dbraw/zinc/56/93/29/1258569329.db2.gz PCBYUXHIENTLDU-PBHICJAKSA-N 2 2 359.474 0.506 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001085075743 1258572556 /nfs/dbraw/zinc/57/25/56/1258572556.db2.gz IDXOTOVIDFLPCG-PBHICJAKSA-N 2 2 359.474 0.772 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001085075743 1258572561 /nfs/dbraw/zinc/57/25/61/1258572561.db2.gz IDXOTOVIDFLPCG-PBHICJAKSA-N 2 2 359.474 0.772 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001085159526 1258613418 /nfs/dbraw/zinc/61/34/18/1258613418.db2.gz YCOQSPWNEXKAIF-OAGGEKHMSA-N 2 2 363.462 0.333 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001085159526 1258613426 /nfs/dbraw/zinc/61/34/26/1258613426.db2.gz YCOQSPWNEXKAIF-OAGGEKHMSA-N 2 2 363.462 0.333 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159430 1258613869 /nfs/dbraw/zinc/61/38/69/1258613869.db2.gz UATXWJNAXRAZIG-OAGGEKHMSA-N 2 2 364.494 0.536 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159430 1258613878 /nfs/dbraw/zinc/61/38/78/1258613878.db2.gz UATXWJNAXRAZIG-OAGGEKHMSA-N 2 2 364.494 0.536 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170128 1258690313 /nfs/dbraw/zinc/69/03/13/1258690313.db2.gz FVJQCKQDCSSQAG-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170128 1258690324 /nfs/dbraw/zinc/69/03/24/1258690324.db2.gz FVJQCKQDCSSQAG-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170128 1258690334 /nfs/dbraw/zinc/69/03/34/1258690334.db2.gz FVJQCKQDCSSQAG-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170128 1258690341 /nfs/dbraw/zinc/69/03/41/1258690341.db2.gz FVJQCKQDCSSQAG-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088170895 1258690438 /nfs/dbraw/zinc/69/04/38/1258690438.db2.gz NAAZMLXNXOORRA-PMPSAXMXSA-N 2 2 369.473 0.522 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088170895 1258690446 /nfs/dbraw/zinc/69/04/46/1258690446.db2.gz NAAZMLXNXOORRA-PMPSAXMXSA-N 2 2 369.473 0.522 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088173155 1258693934 /nfs/dbraw/zinc/69/39/34/1258693934.db2.gz UYZTXNXYXBGXOZ-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088173155 1258693941 /nfs/dbraw/zinc/69/39/41/1258693941.db2.gz UYZTXNXYXBGXOZ-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088183848 1258705268 /nfs/dbraw/zinc/70/52/68/1258705268.db2.gz ZMOJWVMUWYXKKB-OWCLPIDISA-N 2 2 369.473 0.820 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088183848 1258705275 /nfs/dbraw/zinc/70/52/75/1258705275.db2.gz ZMOJWVMUWYXKKB-OWCLPIDISA-N 2 2 369.473 0.820 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725564 1258802359 /nfs/dbraw/zinc/80/23/59/1258802359.db2.gz KSZRHBCIUZRBKC-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725564 1258802363 /nfs/dbraw/zinc/80/23/63/1258802363.db2.gz KSZRHBCIUZRBKC-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725564 1258802369 /nfs/dbraw/zinc/80/23/69/1258802369.db2.gz KSZRHBCIUZRBKC-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725564 1258802376 /nfs/dbraw/zinc/80/23/76/1258802376.db2.gz KSZRHBCIUZRBKC-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735029 1258824209 /nfs/dbraw/zinc/82/42/09/1258824209.db2.gz NIFPFXLOCFMFLX-OAGGEKHMSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735029 1258824220 /nfs/dbraw/zinc/82/42/20/1258824220.db2.gz NIFPFXLOCFMFLX-OAGGEKHMSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092735029 1258824228 /nfs/dbraw/zinc/82/42/28/1258824228.db2.gz NIFPFXLOCFMFLX-OAGGEKHMSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092735029 1258824236 /nfs/dbraw/zinc/82/42/36/1258824236.db2.gz NIFPFXLOCFMFLX-OAGGEKHMSA-N 2 2 363.510 0.922 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710369 1258944810 /nfs/dbraw/zinc/94/48/10/1258944810.db2.gz HYJICIBWAGVPOD-OWCLPIDISA-N 2 2 362.478 0.544 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106877018 1258984940 /nfs/dbraw/zinc/98/49/40/1258984940.db2.gz IVKOPVCYPZPBBQ-CHWSQXEVSA-N 2 2 360.418 0.273 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106874411 1258985495 /nfs/dbraw/zinc/98/54/95/1258985495.db2.gz HAMCSEJZWGSQKZ-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP CCC(CC)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876934 1258985645 /nfs/dbraw/zinc/98/56/45/1258985645.db2.gz FUCBMPYCCJMIQL-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC001106922544 1258997192 /nfs/dbraw/zinc/99/71/92/1258997192.db2.gz HCPUHPMFEYWAFM-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001107076266 1259028269 /nfs/dbraw/zinc/02/82/69/1259028269.db2.gz NEKNQULDSGQHOM-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107386553 1259070879 /nfs/dbraw/zinc/07/08/79/1259070879.db2.gz WBUVISWKFXCDLE-DNVCBOLYSA-N 2 2 359.474 0.935 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107386553 1259070887 /nfs/dbraw/zinc/07/08/87/1259070887.db2.gz WBUVISWKFXCDLE-DNVCBOLYSA-N 2 2 359.474 0.935 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNc2ncnc3c2C[NH+](C)CC3)CC[N@@H+]1C ZINC001107555398 1259116415 /nfs/dbraw/zinc/11/64/15/1259116415.db2.gz XMSRBGQXKBBWDA-ZYDHHDLOSA-N 2 2 358.490 0.889 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNc2ncnc3c2C[NH+](C)CC3)CC[N@H+]1C ZINC001107555398 1259116420 /nfs/dbraw/zinc/11/64/20/1259116420.db2.gz XMSRBGQXKBBWDA-ZYDHHDLOSA-N 2 2 358.490 0.889 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNc2ncnc3c2C[N@H+](C)CC3)CC[NH+]1C ZINC001107555398 1259116423 /nfs/dbraw/zinc/11/64/23/1259116423.db2.gz XMSRBGQXKBBWDA-ZYDHHDLOSA-N 2 2 358.490 0.889 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNc2ncnc3c2C[N@@H+](C)CC3)CC[NH+]1C ZINC001107555398 1259116427 /nfs/dbraw/zinc/11/64/27/1259116427.db2.gz XMSRBGQXKBBWDA-ZYDHHDLOSA-N 2 2 358.490 0.889 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)n1)CC2 ZINC001107633734 1259140117 /nfs/dbraw/zinc/14/01/17/1259140117.db2.gz AYKARIVEBAHHLN-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnn(C)n1)CC2 ZINC001107633734 1259140122 /nfs/dbraw/zinc/14/01/22/1259140122.db2.gz AYKARIVEBAHHLN-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001127547706 1259178669 /nfs/dbraw/zinc/17/86/69/1259178669.db2.gz RNSZPBJQJNRKQU-GDBMZVCRSA-N 2 2 359.474 0.481 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)o1 ZINC001127571423 1259181926 /nfs/dbraw/zinc/18/19/26/1259181926.db2.gz RNOLMUCROJYXLX-WQVCFCJDSA-N 2 2 365.478 0.892 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129042899 1259295401 /nfs/dbraw/zinc/29/54/01/1259295401.db2.gz BMLXGZBKVILNKB-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129042899 1259295403 /nfs/dbraw/zinc/29/54/03/1259295403.db2.gz BMLXGZBKVILNKB-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1)OC ZINC001129139807 1259326857 /nfs/dbraw/zinc/32/68/57/1259326857.db2.gz VAOWSLTXCQTMEY-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1)OC ZINC001129139807 1259326865 /nfs/dbraw/zinc/32/68/65/1259326865.db2.gz VAOWSLTXCQTMEY-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228398 1259349692 /nfs/dbraw/zinc/34/96/92/1259349692.db2.gz QVNMOUOFUXBKNA-CVEARBPZSA-N 2 2 361.450 0.322 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228398 1259349698 /nfs/dbraw/zinc/34/96/98/1259349698.db2.gz QVNMOUOFUXBKNA-CVEARBPZSA-N 2 2 361.450 0.322 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271632 1259360337 /nfs/dbraw/zinc/36/03/37/1259360337.db2.gz KVRWMWKGOUSCJM-IKGGRYGDSA-N 2 2 357.462 0.555 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271632 1259360343 /nfs/dbraw/zinc/36/03/43/1259360343.db2.gz KVRWMWKGOUSCJM-IKGGRYGDSA-N 2 2 357.462 0.555 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276902 1259364056 /nfs/dbraw/zinc/36/40/56/1259364056.db2.gz YSNADIOAQAAISR-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276902 1259364059 /nfs/dbraw/zinc/36/40/59/1259364059.db2.gz YSNADIOAQAAISR-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212289762 1259454884 /nfs/dbraw/zinc/45/48/84/1259454884.db2.gz PCDIQBYVQRHBNU-BRWVUGGUSA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212289762 1259454890 /nfs/dbraw/zinc/45/48/90/1259454890.db2.gz PCDIQBYVQRHBNU-BRWVUGGUSA-N 2 2 366.506 0.010 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC001212315002 1259462352 /nfs/dbraw/zinc/46/23/52/1259462352.db2.gz OZOURTPOXZLRMJ-AWEZNQCLSA-N 2 2 354.418 0.740 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399267 1259488639 /nfs/dbraw/zinc/48/86/39/1259488639.db2.gz HMEGRVTTZLJTTF-BRWVUGGUSA-N 2 2 368.522 0.258 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399267 1259488642 /nfs/dbraw/zinc/48/86/42/1259488642.db2.gz HMEGRVTTZLJTTF-BRWVUGGUSA-N 2 2 368.522 0.258 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399267 1259488645 /nfs/dbraw/zinc/48/86/45/1259488645.db2.gz HMEGRVTTZLJTTF-BRWVUGGUSA-N 2 2 368.522 0.258 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212399267 1259488649 /nfs/dbraw/zinc/48/86/49/1259488649.db2.gz HMEGRVTTZLJTTF-BRWVUGGUSA-N 2 2 368.522 0.258 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212405947 1259491660 /nfs/dbraw/zinc/49/16/60/1259491660.db2.gz FZNGANPBCAORLX-BZUAXINKSA-N 2 2 366.462 0.239 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212405947 1259491661 /nfs/dbraw/zinc/49/16/61/1259491661.db2.gz FZNGANPBCAORLX-BZUAXINKSA-N 2 2 366.462 0.239 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408692 1259493494 /nfs/dbraw/zinc/49/34/94/1259493494.db2.gz YBSIDUGFETUUCU-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408692 1259493500 /nfs/dbraw/zinc/49/35/00/1259493500.db2.gz YBSIDUGFETUUCU-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001212411850 1259495674 /nfs/dbraw/zinc/49/56/74/1259495674.db2.gz LKOGZZXQHMSNQN-NUJGCVRESA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001212411850 1259495677 /nfs/dbraw/zinc/49/56/77/1259495677.db2.gz LKOGZZXQHMSNQN-NUJGCVRESA-N 2 2 366.506 0.153 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410374 1259495794 /nfs/dbraw/zinc/49/57/94/1259495794.db2.gz RCAQKUVFGFQWAF-JFIYKMOQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410374 1259495800 /nfs/dbraw/zinc/49/58/00/1259495800.db2.gz RCAQKUVFGFQWAF-JFIYKMOQSA-N 2 2 362.474 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430619 1259502553 /nfs/dbraw/zinc/50/25/53/1259502553.db2.gz ULKBOMATUKNNBY-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430619 1259502559 /nfs/dbraw/zinc/50/25/59/1259502559.db2.gz ULKBOMATUKNNBY-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430619 1259502563 /nfs/dbraw/zinc/50/25/63/1259502563.db2.gz ULKBOMATUKNNBY-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430619 1259502568 /nfs/dbraw/zinc/50/25/68/1259502568.db2.gz ULKBOMATUKNNBY-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430472 1259502780 /nfs/dbraw/zinc/50/27/80/1259502780.db2.gz OKGKMXPFXUJYPF-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430472 1259502784 /nfs/dbraw/zinc/50/27/84/1259502784.db2.gz OKGKMXPFXUJYPF-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430472 1259502786 /nfs/dbraw/zinc/50/27/86/1259502786.db2.gz OKGKMXPFXUJYPF-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430472 1259502790 /nfs/dbraw/zinc/50/27/90/1259502790.db2.gz OKGKMXPFXUJYPF-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212460349 1259515214 /nfs/dbraw/zinc/51/52/14/1259515214.db2.gz GQEIEMVOAOPFGP-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212460349 1259515218 /nfs/dbraw/zinc/51/52/18/1259515218.db2.gz GQEIEMVOAOPFGP-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)O1 ZINC001235516740 1259573901 /nfs/dbraw/zinc/57/39/01/1259573901.db2.gz FIOITRXPCPMGLO-HZMVEIRTSA-N 2 2 367.490 0.486 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)O1 ZINC001235516740 1259573908 /nfs/dbraw/zinc/57/39/08/1259573908.db2.gz FIOITRXPCPMGLO-HZMVEIRTSA-N 2 2 367.490 0.486 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3nccc(N4CC[NH2+]CC4)n3)cc2)CC1 ZINC001236555131 1259590665 /nfs/dbraw/zinc/59/06/65/1259590665.db2.gz FLCSJJDVINZWTJ-UHFFFAOYSA-N 2 2 366.469 0.941 20 0 FCADLP COC(=O)[C@H]1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1[NH3+] ZINC001236345178 1259591226 /nfs/dbraw/zinc/59/12/26/1259591226.db2.gz DARXQZOKGOZRJD-ROUUACIJSA-N 2 2 363.458 0.330 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)CC[C@@H]2C1 ZINC001237693217 1259608267 /nfs/dbraw/zinc/60/82/67/1259608267.db2.gz PKXJMGFHCFQRQL-QZTJIDSGSA-N 2 2 374.485 0.396 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)CC[C@@H]2C1 ZINC001237693217 1259608274 /nfs/dbraw/zinc/60/82/74/1259608274.db2.gz PKXJMGFHCFQRQL-QZTJIDSGSA-N 2 2 374.485 0.396 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC001335384169 1259636715 /nfs/dbraw/zinc/63/67/15/1259636715.db2.gz KKSOTSDBWDPKBV-UHFFFAOYSA-N 2 2 355.389 0.626 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246022364 1259643197 /nfs/dbraw/zinc/64/31/97/1259643197.db2.gz JLVOLOWBZYXWKS-HOJAQTOUSA-N 2 2 363.502 0.641 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246022364 1259643203 /nfs/dbraw/zinc/64/32/03/1259643203.db2.gz JLVOLOWBZYXWKS-HOJAQTOUSA-N 2 2 363.502 0.641 20 0 FCADLP O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739873 1259674513 /nfs/dbraw/zinc/67/45/13/1259674513.db2.gz UFLPNVJWFDORHI-XHXCXKCRSA-N 2 2 371.485 0.969 20 0 FCADLP O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739873 1259674521 /nfs/dbraw/zinc/67/45/21/1259674521.db2.gz UFLPNVJWFDORHI-XHXCXKCRSA-N 2 2 371.485 0.969 20 0 FCADLP COc1c(F)cccc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247330951 1259699792 /nfs/dbraw/zinc/69/97/92/1259699792.db2.gz FQTPESWOBKAPIY-LBPRGKRZSA-N 2 2 360.349 0.794 20 0 FCADLP COc1ccnc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1F ZINC001247333626 1259701148 /nfs/dbraw/zinc/70/11/48/1259701148.db2.gz KTYSGFVEUDBHQS-VIFPVBQESA-N 2 2 361.337 0.189 20 0 FCADLP C[NH+]1CCN(c2ccccc2-c2noc(C[NH+](CCO)CCO)n2)CC1 ZINC001247554229 1259703385 /nfs/dbraw/zinc/70/33/85/1259703385.db2.gz WBJGJDSFIRSVTB-UHFFFAOYSA-N 2 2 361.446 0.275 20 0 FCADLP C[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CCCNC(N)=O)n3)cc2)CC1 ZINC001247702839 1259705043 /nfs/dbraw/zinc/70/50/43/1259705043.db2.gz HXQIGIRJXLQSPY-OAHLLOKOSA-N 2 2 373.461 0.937 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]2C ZINC001251014776 1259728601 /nfs/dbraw/zinc/72/86/01/1259728601.db2.gz CJCSCAJBPDQUNU-AEFFLSMTSA-N 2 2 365.522 0.793 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]2C ZINC001251014776 1259728606 /nfs/dbraw/zinc/72/86/06/1259728606.db2.gz CJCSCAJBPDQUNU-AEFFLSMTSA-N 2 2 365.522 0.793 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252930517 1259813745 /nfs/dbraw/zinc/81/37/45/1259813745.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 2 356.426 0.883 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252930517 1259813756 /nfs/dbraw/zinc/81/37/56/1259813756.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 2 356.426 0.883 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252930517 1259813768 /nfs/dbraw/zinc/81/37/68/1259813768.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 2 356.426 0.883 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252930517 1259813775 /nfs/dbraw/zinc/81/37/75/1259813775.db2.gz XAFRQSSKSCAIHT-IBGZPJMESA-N 2 2 356.426 0.883 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948931 1259814527 /nfs/dbraw/zinc/81/45/27/1259814527.db2.gz BMMUSLRARFAKDR-ICSRJNTNSA-N 2 2 372.469 0.731 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948931 1259814533 /nfs/dbraw/zinc/81/45/33/1259814533.db2.gz BMMUSLRARFAKDR-ICSRJNTNSA-N 2 2 372.469 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001253176634 1259826164 /nfs/dbraw/zinc/82/61/64/1259826164.db2.gz LKEFYIRKQDNCRC-INIZCTEOSA-N 3 2 366.510 0.014 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001253404360 1259839654 /nfs/dbraw/zinc/83/96/54/1259839654.db2.gz UQUIAYMOOXJCNN-IHRRRGAJSA-N 2 2 373.494 0.876 20 0 FCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C1Cc2ccccc2C1 ZINC001255019676 1259903343 /nfs/dbraw/zinc/90/33/43/1259903343.db2.gz NPYVRCRPFBDJAU-ROUUACIJSA-N 2 2 367.453 0.569 20 0 FCADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205466 1259938028 /nfs/dbraw/zinc/93/80/28/1259938028.db2.gz SYPPDNBMBIQHGS-HXUWFJFHSA-N 2 2 371.485 0.815 20 0 FCADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205466 1259938035 /nfs/dbraw/zinc/93/80/35/1259938035.db2.gz SYPPDNBMBIQHGS-HXUWFJFHSA-N 2 2 371.485 0.815 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN(C2CC[NH+](C)CC2)CC3)cn1 ZINC001256207682 1259938446 /nfs/dbraw/zinc/93/84/46/1259938446.db2.gz ODYAWWAQOPVDDB-UHFFFAOYSA-N 2 2 371.489 0.499 20 0 FCADLP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CN1C(=O)OC(C)(C)C ZINC001256257241 1259940697 /nfs/dbraw/zinc/94/06/97/1259940697.db2.gz XAMIYBWJDATGHX-HUUCEWRRSA-N 2 2 371.478 0.584 20 0 FCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001256338493 1259946353 /nfs/dbraw/zinc/94/63/53/1259946353.db2.gz JEFGAKPUKBQROS-INIZCTEOSA-N 2 2 372.473 0.623 20 0 FCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001256338493 1259946359 /nfs/dbraw/zinc/94/63/59/1259946359.db2.gz JEFGAKPUKBQROS-INIZCTEOSA-N 2 2 372.473 0.623 20 0 FCADLP CCC[NH+]1CCC([NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001258771840 1260056738 /nfs/dbraw/zinc/05/67/38/1260056738.db2.gz XRCPVHYHQLNKGL-KRWDZBQOSA-N 2 2 362.474 0.369 20 0 FCADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC001261204239 1260101956 /nfs/dbraw/zinc/10/19/56/1260101956.db2.gz LEUXTGGCEQCIGO-UHFFFAOYSA-N 2 2 368.441 0.616 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC001261226173 1260105137 /nfs/dbraw/zinc/10/51/37/1260105137.db2.gz PKIHYNWCZIQOBT-UXLLHSPISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC001261226173 1260105140 /nfs/dbraw/zinc/10/51/40/1260105140.db2.gz PKIHYNWCZIQOBT-UXLLHSPISA-N 2 2 366.506 0.155 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([NH+](CC)CC)CC2)CC1 ZINC001261306707 1260112808 /nfs/dbraw/zinc/11/28/08/1260112808.db2.gz JWKAHRYBLPDUGQ-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515788 1260153557 /nfs/dbraw/zinc/15/35/57/1260153557.db2.gz UJVZCFXUHFVZDL-BRWVUGGUSA-N 2 2 364.494 0.818 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515788 1260153565 /nfs/dbraw/zinc/15/35/65/1260153565.db2.gz UJVZCFXUHFVZDL-BRWVUGGUSA-N 2 2 364.494 0.818 20 0 FCADLP COCc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827013 1260231399 /nfs/dbraw/zinc/23/13/99/1260231399.db2.gz PIWYNGVWPPEALF-IBGZPJMESA-N 2 2 357.458 0.932 20 0 FCADLP COCc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(N)n1 ZINC001336827013 1260231403 /nfs/dbraw/zinc/23/14/03/1260231403.db2.gz PIWYNGVWPPEALF-IBGZPJMESA-N 2 2 357.458 0.932 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH]n1 ZINC001262113612 1260260940 /nfs/dbraw/zinc/26/09/40/1260260940.db2.gz UJTZVBSJKKLVTA-OAHLLOKOSA-N 2 2 365.478 0.473 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001262170087 1260274149 /nfs/dbraw/zinc/27/41/49/1260274149.db2.gz CIIASOYBKWCYPS-IAGOWNOFSA-N 2 2 363.510 0.859 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001262170087 1260274151 /nfs/dbraw/zinc/27/41/51/1260274151.db2.gz CIIASOYBKWCYPS-IAGOWNOFSA-N 2 2 363.510 0.859 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337087249 1260305920 /nfs/dbraw/zinc/30/59/20/1260305920.db2.gz QDKPDWULLOZTDS-IRXDYDNUSA-N 2 2 355.442 0.999 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142037 1260321964 /nfs/dbraw/zinc/32/19/64/1260321964.db2.gz KNUHGKHGSSBVDH-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142037 1260321971 /nfs/dbraw/zinc/32/19/71/1260321971.db2.gz KNUHGKHGSSBVDH-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cnc(C2CC[NH2+]CC2)o1 ZINC001263099534 1260339125 /nfs/dbraw/zinc/33/91/25/1260339125.db2.gz NDHSFSKCMMXRPE-UHFFFAOYSA-N 2 2 374.445 0.923 20 0 FCADLP C[C@H]1Cn2nc(C(=O)NCc3cccnc3N3CC[NH+](C)CC3)cc2C[NH2+]1 ZINC001263104050 1260342569 /nfs/dbraw/zinc/34/25/69/1260342569.db2.gz UPWZGSGYVFKXLV-AWEZNQCLSA-N 2 2 369.473 0.452 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337337378 1260374592 /nfs/dbraw/zinc/37/45/92/1260374592.db2.gz AHBPETWFGCPQOL-CALCHBBNSA-N 2 2 353.426 0.510 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC001337471030 1260408400 /nfs/dbraw/zinc/40/84/00/1260408400.db2.gz KCQQHAYTVIHCMG-INIZCTEOSA-N 2 2 356.470 0.928 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001337547457 1260427926 /nfs/dbraw/zinc/42/79/26/1260427926.db2.gz IATAFGAUZVNBEG-UHFFFAOYSA-N 2 2 351.451 0.362 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@]3(F)C(=O)N(CCn4cc[nH+]c4)C[C@@]3(F)C2)CC1 ZINC001272905319 1260525060 /nfs/dbraw/zinc/52/50/60/1260525060.db2.gz PRBYJQDVESFGMH-IAGOWNOFSA-N 2 2 367.400 0.078 20 0 FCADLP CC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249406 1260635745 /nfs/dbraw/zinc/63/57/45/1260635745.db2.gz VCDFBLPDUQIILQ-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP CC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249406 1260635754 /nfs/dbraw/zinc/63/57/54/1260635754.db2.gz VCDFBLPDUQIILQ-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP CC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249406 1260635761 /nfs/dbraw/zinc/63/57/61/1260635761.db2.gz VCDFBLPDUQIILQ-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP CC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249406 1260635771 /nfs/dbraw/zinc/63/57/71/1260635771.db2.gz VCDFBLPDUQIILQ-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP Cc1[nH]c(C[N@@H+]2CCC[C@@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732446 1260664395 /nfs/dbraw/zinc/66/43/95/1260664395.db2.gz CQVUCVMFNWLTRL-FZKQIMNGSA-N 2 2 359.430 0.338 20 0 FCADLP Cc1[nH]c(C[N@H+]2CCC[C@@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732446 1260664403 /nfs/dbraw/zinc/66/44/03/1260664403.db2.gz CQVUCVMFNWLTRL-FZKQIMNGSA-N 2 2 359.430 0.338 20 0 FCADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2c[nH]c3ncncc23)c[nH+]1 ZINC001278888360 1260751275 /nfs/dbraw/zinc/75/12/75/1260751275.db2.gz QNUZIYLWLFFIEK-IYBDPMFKSA-N 2 2 353.430 0.691 20 0 FCADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2c[nH]c3ncncc23)c[nH+]1 ZINC001278888360 1260751279 /nfs/dbraw/zinc/75/12/79/1260751279.db2.gz QNUZIYLWLFFIEK-IYBDPMFKSA-N 2 2 353.430 0.691 20 0 FCADLP CN(C)C(=O)CN1CCC12C[NH+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001278994049 1260770000 /nfs/dbraw/zinc/77/00/00/1260770000.db2.gz OUXPRWMZYJFFLQ-UHFFFAOYSA-N 2 2 360.502 0.975 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccncc2F)C[C@]2(CCCC(=O)N2)C1 ZINC001279399061 1260861002 /nfs/dbraw/zinc/86/10/02/1260861002.db2.gz BPLIMRLQDQEETQ-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccncc2F)C[C@]2(CCCC(=O)N2)C1 ZINC001279399061 1260861006 /nfs/dbraw/zinc/86/10/06/1260861006.db2.gz BPLIMRLQDQEETQ-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501927 1260880785 /nfs/dbraw/zinc/88/07/85/1260880785.db2.gz LGWARDMRRDLSGK-BPUTZDHNSA-N 2 2 361.446 0.049 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501927 1260880791 /nfs/dbraw/zinc/88/07/91/1260880791.db2.gz LGWARDMRRDLSGK-BPUTZDHNSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501927 1260880796 /nfs/dbraw/zinc/88/07/96/1260880796.db2.gz LGWARDMRRDLSGK-BPUTZDHNSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501927 1260880801 /nfs/dbraw/zinc/88/08/01/1260880801.db2.gz LGWARDMRRDLSGK-BPUTZDHNSA-N 2 2 361.446 0.049 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501929 1260881419 /nfs/dbraw/zinc/88/14/19/1260881419.db2.gz LGWARDMRRDLSGK-KBMXLJTQSA-N 2 2 361.446 0.049 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501929 1260881422 /nfs/dbraw/zinc/88/14/22/1260881422.db2.gz LGWARDMRRDLSGK-KBMXLJTQSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501929 1260881425 /nfs/dbraw/zinc/88/14/25/1260881425.db2.gz LGWARDMRRDLSGK-KBMXLJTQSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3OCCN(C(=O)c4ccc(=O)[nH]n4)[C@H]3C2)C1 ZINC001279501929 1260881429 /nfs/dbraw/zinc/88/14/29/1260881429.db2.gz LGWARDMRRDLSGK-KBMXLJTQSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501458 1260881483 /nfs/dbraw/zinc/88/14/83/1260881483.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501458 1260881486 /nfs/dbraw/zinc/88/14/86/1260881486.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501458 1260881488 /nfs/dbraw/zinc/88/14/88/1260881488.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501458 1260881491 /nfs/dbraw/zinc/88/14/91/1260881491.db2.gz GKSHZLKOEXGGEB-QUCCMNQESA-N 3 2 365.566 0.546 20 0 FCADLP O=C([C@@H]1CC12C[NH+](CCC[NH+]1CCCCC1)C2)N1CCn2cnnc2C1 ZINC001279844948 1260941984 /nfs/dbraw/zinc/94/19/84/1260941984.db2.gz YYSVFJJEABCQEM-INIZCTEOSA-N 2 2 358.490 0.818 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280046138 1260984344 /nfs/dbraw/zinc/98/43/44/1260984344.db2.gz QCQHWCLHBUUCSM-GOEBONIOSA-N 2 2 358.446 0.182 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280046138 1260984354 /nfs/dbraw/zinc/98/43/54/1260984354.db2.gz QCQHWCLHBUUCSM-GOEBONIOSA-N 2 2 358.446 0.182 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001280070726 1260989585 /nfs/dbraw/zinc/98/95/85/1260989585.db2.gz YLIFUBMCVUNUOX-GOSISDBHSA-N 2 2 362.478 0.216 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001280070726 1260989592 /nfs/dbraw/zinc/98/95/92/1260989592.db2.gz YLIFUBMCVUNUOX-GOSISDBHSA-N 2 2 362.478 0.216 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001280169323 1261018818 /nfs/dbraw/zinc/01/88/18/1261018818.db2.gz AJNZTATWLLOGLX-QGZVFWFLSA-N 2 2 362.518 0.873 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)[NH+](C)C ZINC001281848204 1261230571 /nfs/dbraw/zinc/23/05/71/1261230571.db2.gz ZDCSOMYVZICQJD-QLFBSQMISA-N 2 2 365.478 0.035 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC1 ZINC001281986268 1261321874 /nfs/dbraw/zinc/32/18/74/1261321874.db2.gz NVPGDQYDTDAVLA-HUUCEWRRSA-N 2 2 359.474 0.743 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001282301552 1261409123 /nfs/dbraw/zinc/40/91/23/1261409123.db2.gz VVXZBVICIBXEII-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001282301552 1261409125 /nfs/dbraw/zinc/40/91/25/1261409125.db2.gz VVXZBVICIBXEII-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(O)c3)C2)CC1 ZINC001345288096 1261666776 /nfs/dbraw/zinc/66/67/76/1261666776.db2.gz APYGVLVOFUXOCW-HNNXBMFYSA-N 2 2 360.458 0.293 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(O)c3)C2)CC1 ZINC001345288096 1261666782 /nfs/dbraw/zinc/66/67/82/1261666782.db2.gz APYGVLVOFUXOCW-HNNXBMFYSA-N 2 2 360.458 0.293 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001284753797 1261785936 /nfs/dbraw/zinc/78/59/36/1261785936.db2.gz ZJXVYAPSHFZSDS-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001284753797 1261785941 /nfs/dbraw/zinc/78/59/41/1261785941.db2.gz ZJXVYAPSHFZSDS-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580341734 1278138307 /nfs/dbraw/zinc/13/83/07/1278138307.db2.gz MHGYMUMAKXJSRU-DGCLKSJQSA-N 2 2 372.458 0.761 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580341734 1278138310 /nfs/dbraw/zinc/13/83/10/1278138310.db2.gz MHGYMUMAKXJSRU-DGCLKSJQSA-N 2 2 372.458 0.761 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001580354611 1278157974 /nfs/dbraw/zinc/15/79/74/1278157974.db2.gz JISFBYQOLFGLSX-ZIAGYGMSSA-N 2 2 370.461 0.546 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926511 1263112249 /nfs/dbraw/zinc/11/22/49/1263112249.db2.gz IFLYANOYELPBKB-HLLBOEOZSA-N 2 2 354.495 0.506 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926511 1263112256 /nfs/dbraw/zinc/11/22/56/1263112256.db2.gz IFLYANOYELPBKB-HLLBOEOZSA-N 2 2 354.495 0.506 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3CNC(=O)C3)CC2)CC1 ZINC001478821327 1263146552 /nfs/dbraw/zinc/14/65/52/1263146552.db2.gz XNHUYEIQTSNRBS-OAHLLOKOSA-N 2 2 351.495 0.324 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H]3CNC(=O)C3)CC2)CC1 ZINC001478821327 1263146556 /nfs/dbraw/zinc/14/65/56/1263146556.db2.gz XNHUYEIQTSNRBS-OAHLLOKOSA-N 2 2 351.495 0.324 20 0 FCADLP COC[C@H](O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001483835476 1263447039 /nfs/dbraw/zinc/44/70/39/1263447039.db2.gz PWGFISOMRMGSCW-BZUAXINKSA-N 2 2 362.474 0.835 20 0 FCADLP COC[C@H](O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001483835476 1263447049 /nfs/dbraw/zinc/44/70/49/1263447049.db2.gz PWGFISOMRMGSCW-BZUAXINKSA-N 2 2 362.474 0.835 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487222878 1263596092 /nfs/dbraw/zinc/59/60/92/1263596092.db2.gz YVJYLUNOOSKILO-FVQBIDKESA-N 2 2 361.490 0.829 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487222878 1263596096 /nfs/dbraw/zinc/59/60/96/1263596096.db2.gz YVJYLUNOOSKILO-FVQBIDKESA-N 2 2 361.490 0.829 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CC2 ZINC001319398890 1263688296 /nfs/dbraw/zinc/68/82/96/1263688296.db2.gz IXSSDYDXYWKOJE-HNNXBMFYSA-N 2 2 360.506 0.824 20 0 FCADLP C[C@@H]1CN(CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001320030020 1263756247 /nfs/dbraw/zinc/75/62/47/1263756247.db2.gz NZXBEPXBDNWVHL-FGTMMUONSA-N 2 2 374.533 0.651 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3ccncc3)CC2)CC1 ZINC001321287067 1263929221 /nfs/dbraw/zinc/92/92/21/1263929221.db2.gz VCSODPQDRXIHDA-UHFFFAOYSA-N 2 2 359.474 0.373 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(C(N)=O)c3)C2)CC1 ZINC001321667699 1264027652 /nfs/dbraw/zinc/02/76/52/1264027652.db2.gz LUONISMBROQDIA-HNNXBMFYSA-N 2 2 373.457 0.009 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc(C(N)=O)c3)C2)CC1 ZINC001321667699 1264027659 /nfs/dbraw/zinc/02/76/59/1264027659.db2.gz LUONISMBROQDIA-HNNXBMFYSA-N 2 2 373.457 0.009 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC[N@@H+]1C ZINC001506130725 1264295798 /nfs/dbraw/zinc/29/57/98/1264295798.db2.gz IRVNPBCZAIZMIJ-QLFBSQMISA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC[N@H+]1C ZINC001506130725 1264295804 /nfs/dbraw/zinc/29/58/04/1264295804.db2.gz IRVNPBCZAIZMIJ-QLFBSQMISA-N 2 2 359.474 0.551 20 0 FCADLP CNC(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001323922950 1264541648 /nfs/dbraw/zinc/54/16/48/1264541648.db2.gz QVKPBXGZZFMIOJ-HNNXBMFYSA-N 2 2 359.474 0.682 20 0 FCADLP CNC(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001323922950 1264541651 /nfs/dbraw/zinc/54/16/51/1264541651.db2.gz QVKPBXGZZFMIOJ-HNNXBMFYSA-N 2 2 359.474 0.682 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001323962719 1264549252 /nfs/dbraw/zinc/54/92/52/1264549252.db2.gz CUFQLUQIOOGWJZ-JKSUJKDBSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001323962719 1264549258 /nfs/dbraw/zinc/54/92/58/1264549258.db2.gz CUFQLUQIOOGWJZ-JKSUJKDBSA-N 2 2 357.458 0.473 20 0 FCADLP CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532337 1264920414 /nfs/dbraw/zinc/92/04/14/1264920414.db2.gz XAJFJTFOALNFDI-USXIJHARSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532337 1264920425 /nfs/dbraw/zinc/92/04/25/1264920425.db2.gz XAJFJTFOALNFDI-USXIJHARSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325623059 1264950566 /nfs/dbraw/zinc/95/05/66/1264950566.db2.gz IULLSOJWSHOLJU-YQQAZPJKSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325623059 1264950554 /nfs/dbraw/zinc/95/05/54/1264950554.db2.gz IULLSOJWSHOLJU-YQQAZPJKSA-N 2 2 366.506 0.343 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001325652984 1264960580 /nfs/dbraw/zinc/96/05/80/1264960580.db2.gz TUTFYDCAPLXNSE-JKSUJKDBSA-N 2 2 361.490 0.867 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)CCn1cc[nH+]c1 ZINC001580406473 1278243148 /nfs/dbraw/zinc/24/31/48/1278243148.db2.gz LEOOHIDXGGMBOX-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC001326625254 1265145276 /nfs/dbraw/zinc/14/52/76/1265145276.db2.gz YJIZRBLFTWWEIF-QGZVFWFLSA-N 2 2 356.470 0.814 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3Cc4ccccc4C3)C2)CC1 ZINC001326625254 1265145282 /nfs/dbraw/zinc/14/52/82/1265145282.db2.gz YJIZRBLFTWWEIF-QGZVFWFLSA-N 2 2 356.470 0.814 20 0 FCADLP C[C@H](CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001327448044 1265324949 /nfs/dbraw/zinc/32/49/49/1265324949.db2.gz BHLQOMJDJMMYEI-VNQPRFMTSA-N 2 2 360.462 0.581 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001580417679 1278269515 /nfs/dbraw/zinc/26/95/15/1278269515.db2.gz IALPYVGOJCYMBK-VXGBXAGGSA-N 2 2 367.417 0.059 20 0 FCADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c2ccccc2O1 ZINC001333630762 1266658655 /nfs/dbraw/zinc/65/86/55/1266658655.db2.gz KJDWEKNJPDIGLG-STQMWFEESA-N 2 2 355.460 0.104 20 0 FCADLP CCN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[NH2+]C1 ZINC001333750529 1266701422 /nfs/dbraw/zinc/70/14/22/1266701422.db2.gz NHARGFULLSCEDN-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001334257415 1266913286 /nfs/dbraw/zinc/91/32/86/1266913286.db2.gz ZJXROAANSSZNCF-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001334257415 1266913295 /nfs/dbraw/zinc/91/32/95/1266913295.db2.gz ZJXROAANSSZNCF-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001528252931 1266958255 /nfs/dbraw/zinc/95/82/55/1266958255.db2.gz CNLJMJFWOPAUCQ-KZNAEPCWSA-N 2 2 367.538 0.565 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001335141180 1267360239 /nfs/dbraw/zinc/36/02/39/1267360239.db2.gz IBRCJQCCZHMHTM-JEJOPICUSA-N 2 2 374.485 0.706 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001335141180 1267360245 /nfs/dbraw/zinc/36/02/45/1267360245.db2.gz IBRCJQCCZHMHTM-JEJOPICUSA-N 2 2 374.485 0.706 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC001549152922 1267830361 /nfs/dbraw/zinc/83/03/61/1267830361.db2.gz GSCCYHOYPHDGNZ-PBHICJAKSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001549152476 1267831774 /nfs/dbraw/zinc/83/17/74/1267831774.db2.gz DJSIRPRCUPGOKS-LOUJCGABSA-N 2 2 362.478 0.912 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549158380 1267838421 /nfs/dbraw/zinc/83/84/21/1267838421.db2.gz JRHFTNYONXTAQQ-CPUCHLNUSA-N 2 2 362.478 0.769 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549158380 1267838434 /nfs/dbraw/zinc/83/84/34/1267838434.db2.gz JRHFTNYONXTAQQ-CPUCHLNUSA-N 2 2 362.478 0.769 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549160012 1267839202 /nfs/dbraw/zinc/83/92/02/1267839202.db2.gz LNOOWAJEWOPFEN-YOEHRIQHSA-N 2 2 362.478 0.867 20 0 FCADLP CC1CC[NH+](CCNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549158946 1267839313 /nfs/dbraw/zinc/83/93/13/1267839313.db2.gz SQOWWNLYUNOMSE-WMLDXEAASA-N 2 2 362.478 0.771 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549162441 1267842238 /nfs/dbraw/zinc/84/22/38/1267842238.db2.gz NVGFGJUOCWMLKN-CKEIUWERSA-N 2 2 362.478 0.913 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549162441 1267842254 /nfs/dbraw/zinc/84/22/54/1267842254.db2.gz NVGFGJUOCWMLKN-CKEIUWERSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC001549176452 1267853380 /nfs/dbraw/zinc/85/33/80/1267853380.db2.gz GZXSBYPWUPKSTC-WMLDXEAASA-N 2 2 374.420 0.837 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001549176812 1267854029 /nfs/dbraw/zinc/85/40/29/1267854029.db2.gz XKXQQBBOVYNRDX-ZXFNITATSA-N 2 2 374.489 0.771 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001338356601 1267919265 /nfs/dbraw/zinc/91/92/65/1267919265.db2.gz VBFMJWVQKNNBIW-HOTGVXAUSA-N 2 2 361.490 0.850 20 0 FCADLP C[C@H](C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH+](C)CC1 ZINC001549487888 1267926538 /nfs/dbraw/zinc/92/65/38/1267926538.db2.gz GLQJOTVQAGQAAT-IKGGRYGDSA-N 2 2 350.507 0.382 20 0 FCADLP Cc1c([C@@H]2C[N@H+](Cc3ncc(C[NH+](C)C)s3)C[C@H]2C(N)=O)cnn1C ZINC001549543278 1267950761 /nfs/dbraw/zinc/95/07/61/1267950761.db2.gz ZIJTXFWVIUNEHE-LSDHHAIUSA-N 2 2 362.503 0.948 20 0 FCADLP Cc1c([C@@H]2C[N@@H+](Cc3ncc(C[NH+](C)C)s3)C[C@H]2C(N)=O)cnn1C ZINC001549543278 1267950768 /nfs/dbraw/zinc/95/07/68/1267950768.db2.gz ZIJTXFWVIUNEHE-LSDHHAIUSA-N 2 2 362.503 0.948 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001549808318 1268001980 /nfs/dbraw/zinc/00/19/80/1268001980.db2.gz VNCFWEKRMGEMJH-QRTARXTBSA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001549808318 1268001992 /nfs/dbraw/zinc/00/19/92/1268001992.db2.gz VNCFWEKRMGEMJH-QRTARXTBSA-N 2 2 362.478 0.721 20 0 FCADLP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H](N4CC[NH+](C)CC4)C3)n2)CC1 ZINC001550002708 1268041634 /nfs/dbraw/zinc/04/16/34/1268041634.db2.gz UKPOWMKLKYFWMI-KRWDZBQOSA-N 2 2 372.517 0.295 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001550000964 1268042416 /nfs/dbraw/zinc/04/24/16/1268042416.db2.gz JASVXEWNCCLSAQ-YRXWBPOGSA-N 2 2 366.550 0.969 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)C[C@H]1C ZINC001338704156 1268051427 /nfs/dbraw/zinc/05/14/27/1268051427.db2.gz QYANGBIEAVRCCW-KGLIPLIRSA-N 2 2 363.510 0.431 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)C[C@H]1C ZINC001338704158 1268051972 /nfs/dbraw/zinc/05/19/72/1268051972.db2.gz QYANGBIEAVRCCW-ZIAGYGMSSA-N 2 2 363.510 0.431 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)C[C@H]1C ZINC001338704158 1268051978 /nfs/dbraw/zinc/05/19/78/1268051978.db2.gz QYANGBIEAVRCCW-ZIAGYGMSSA-N 2 2 363.510 0.431 20 0 FCADLP O=C([C@@H]1C[NH2+]C[C@@H]1C(F)(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001550100825 1268072863 /nfs/dbraw/zinc/07/28/63/1268072863.db2.gz COCDPULAGTYWCO-KGLIPLIRSA-N 2 2 357.380 0.561 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[NH2+]CCC12CCC2 ZINC001550268533 1268101907 /nfs/dbraw/zinc/10/19/07/1268101907.db2.gz UUHOOQWKRHQORH-CJNGLKHVSA-N 2 2 360.462 0.667 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCOC[C@H]([NH3+])C3)C2)c1 ZINC001550283197 1268104585 /nfs/dbraw/zinc/10/45/85/1268104585.db2.gz OAKAJAGTCAIMDP-QZTJIDSGSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCOC[C@H]([NH3+])C3)C2)c1 ZINC001550283197 1268104588 /nfs/dbraw/zinc/10/45/88/1268104588.db2.gz OAKAJAGTCAIMDP-QZTJIDSGSA-N 2 2 362.474 0.565 20 0 FCADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001550542019 1268129860 /nfs/dbraw/zinc/12/98/60/1268129860.db2.gz JAZROGUVNMTMTK-STQMWFEESA-N 2 2 366.412 0.903 20 0 FCADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001550542019 1268129862 /nfs/dbraw/zinc/12/98/62/1268129862.db2.gz JAZROGUVNMTMTK-STQMWFEESA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001550542019 1268129864 /nfs/dbraw/zinc/12/98/64/1268129864.db2.gz JAZROGUVNMTMTK-STQMWFEESA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC001550542019 1268129866 /nfs/dbraw/zinc/12/98/66/1268129866.db2.gz JAZROGUVNMTMTK-STQMWFEESA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3nc(-c4nc[nH]n4)no3)C2)CC1 ZINC001338959142 1268130730 /nfs/dbraw/zinc/13/07/30/1268130730.db2.gz ORAHWINMWREHED-GFCCVEGCSA-N 2 2 374.449 0.072 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3nc(-c4nc[nH]n4)no3)C2)CC1 ZINC001338959142 1268130737 /nfs/dbraw/zinc/13/07/37/1268130737.db2.gz ORAHWINMWREHED-GFCCVEGCSA-N 2 2 374.449 0.072 20 0 FCADLP C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C[C@@]2(C)C1 ZINC001550610022 1268140604 /nfs/dbraw/zinc/14/06/04/1268140604.db2.gz IDWNDSOEDFBNOL-RNIPGJKVSA-N 2 2 351.491 0.666 20 0 FCADLP Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001339486990 1268249374 /nfs/dbraw/zinc/24/93/74/1268249374.db2.gz LTOAFMAFCLBSCI-LSDHHAIUSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001339486990 1268249380 /nfs/dbraw/zinc/24/93/80/1268249380.db2.gz LTOAFMAFCLBSCI-LSDHHAIUSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001339486990 1268249390 /nfs/dbraw/zinc/24/93/90/1268249390.db2.gz LTOAFMAFCLBSCI-LSDHHAIUSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001339486990 1268249398 /nfs/dbraw/zinc/24/93/98/1268249398.db2.gz LTOAFMAFCLBSCI-LSDHHAIUSA-N 2 2 361.494 0.325 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001551471636 1268258369 /nfs/dbraw/zinc/25/83/69/1268258369.db2.gz RTLMZBNADRLFCK-GOSISDBHSA-N 2 2 361.490 0.222 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001551471636 1268258373 /nfs/dbraw/zinc/25/83/73/1268258373.db2.gz RTLMZBNADRLFCK-GOSISDBHSA-N 2 2 361.490 0.222 20 0 FCADLP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC001551541078 1268263400 /nfs/dbraw/zinc/26/34/00/1268263400.db2.gz LYVTVTSDJLLWHO-SNPRPXQTSA-N 2 2 362.396 0.645 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576790 1268275443 /nfs/dbraw/zinc/27/54/43/1268275443.db2.gz RAUNJMAHTKFGQG-AGYKMIKPSA-N 2 2 357.502 0.982 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576790 1268275446 /nfs/dbraw/zinc/27/54/46/1268275446.db2.gz RAUNJMAHTKFGQG-AGYKMIKPSA-N 2 2 357.502 0.982 20 0 FCADLP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001339781951 1268327689 /nfs/dbraw/zinc/32/76/89/1268327689.db2.gz ACENDBLWJVONJH-CYBMUJFWSA-N 2 2 362.459 0.684 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001552008988 1268351055 /nfs/dbraw/zinc/35/10/55/1268351055.db2.gz CSZPPVUKLQPCHM-FGTMMUONSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH2+]C1CCN(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CC1 ZINC001339881038 1268356401 /nfs/dbraw/zinc/35/64/01/1268356401.db2.gz GTGVYMBUIJQKSE-UHFFFAOYSA-N 2 2 350.511 0.986 20 0 FCADLP Cn1cc([C@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@@H]2[NH3+])cn1 ZINC001552098207 1268371371 /nfs/dbraw/zinc/37/13/71/1268371371.db2.gz SYNPCHNEYMYTHO-CVEARBPZSA-N 2 2 357.462 0.632 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1C ZINC001552167911 1268399389 /nfs/dbraw/zinc/39/93/89/1268399389.db2.gz WVXGTVFJLYFEKV-IRXDYDNUSA-N 2 2 356.474 0.923 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC001552167780 1268399438 /nfs/dbraw/zinc/39/94/38/1268399438.db2.gz JDFCNSQDDXLBFC-QCSYZSNVSA-N 2 2 361.490 0.211 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC001552276560 1268430898 /nfs/dbraw/zinc/43/08/98/1268430898.db2.gz ZPJDCCGGCHAPAK-WOJBJXKFSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC001552276560 1268430902 /nfs/dbraw/zinc/43/09/02/1268430902.db2.gz ZPJDCCGGCHAPAK-WOJBJXKFSA-N 2 2 359.470 0.950 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001552367462 1268450533 /nfs/dbraw/zinc/45/05/33/1268450533.db2.gz MKHMXKMJJBEAPU-CJNGLKHVSA-N 2 2 374.449 0.320 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001340204474 1268471152 /nfs/dbraw/zinc/47/11/52/1268471152.db2.gz FSVISJHLRBFACJ-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@H](C)O1 ZINC001552701124 1268524410 /nfs/dbraw/zinc/52/44/10/1268524410.db2.gz MGDKYQWXFPFSDU-JYYAWHABSA-N 2 2 364.494 0.902 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@H](C)O1 ZINC001552701124 1268524417 /nfs/dbraw/zinc/52/44/17/1268524417.db2.gz MGDKYQWXFPFSDU-JYYAWHABSA-N 2 2 364.494 0.902 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552830180 1268555488 /nfs/dbraw/zinc/55/54/88/1268555488.db2.gz GXWQOTPVVPJXIK-QFBILLFUSA-N 2 2 350.507 0.921 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552830180 1268555493 /nfs/dbraw/zinc/55/54/93/1268555493.db2.gz GXWQOTPVVPJXIK-QFBILLFUSA-N 2 2 350.507 0.921 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C1 ZINC001552839166 1268556412 /nfs/dbraw/zinc/55/64/12/1268556412.db2.gz FXNFQLUSYUVTMU-NSHDSACASA-N 2 2 358.393 0.201 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C1 ZINC001552839166 1268556416 /nfs/dbraw/zinc/55/64/16/1268556416.db2.gz FXNFQLUSYUVTMU-NSHDSACASA-N 2 2 358.393 0.201 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1 ZINC001553449282 1268651412 /nfs/dbraw/zinc/65/14/12/1268651412.db2.gz KNOMBCKDRMLDPK-IBGZPJMESA-N 2 2 368.522 0.884 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1 ZINC001553449282 1268651420 /nfs/dbraw/zinc/65/14/20/1268651420.db2.gz KNOMBCKDRMLDPK-IBGZPJMESA-N 2 2 368.522 0.884 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449586 1268652263 /nfs/dbraw/zinc/65/22/63/1268652263.db2.gz GQSYJAHYZJJDMA-DOTOQJQBSA-N 3 2 365.522 0.304 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449586 1268652274 /nfs/dbraw/zinc/65/22/74/1268652274.db2.gz GQSYJAHYZJJDMA-DOTOQJQBSA-N 3 2 365.522 0.304 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)n1 ZINC001553533187 1268666197 /nfs/dbraw/zinc/66/61/97/1268666197.db2.gz ZZKQFBLKSCJTHR-ZDUSSCGKSA-N 2 2 353.492 0.854 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCCCCC2)CC1 ZINC001340864758 1268686679 /nfs/dbraw/zinc/68/66/79/1268686679.db2.gz JUCMYPGVJBVFLQ-MRXNPFEDSA-N 2 2 359.536 0.909 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)nn1 ZINC001554035133 1268745036 /nfs/dbraw/zinc/74/50/36/1268745036.db2.gz AUZIXQYHBNYBSU-ZFWWWQNUSA-N 2 2 355.402 0.575 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001341627891 1269117630 /nfs/dbraw/zinc/11/76/30/1269117630.db2.gz UHALWVVYEGBCPM-SFHVURJKSA-N 2 2 358.486 0.693 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001341672866 1269145416 /nfs/dbraw/zinc/14/54/16/1269145416.db2.gz NVTSJQSDMKMOIQ-SFHVURJKSA-N 2 2 362.474 0.947 20 0 FCADLP CCOc1c(OC)cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC001560295488 1269200766 /nfs/dbraw/zinc/20/07/66/1269200766.db2.gz DFYBLZYNMPXDRD-UHFFFAOYSA-N 2 2 351.447 0.966 20 0 FCADLP NC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)nn1 ZINC001560365647 1269201261 /nfs/dbraw/zinc/20/12/61/1269201261.db2.gz DRDDOOLIRGCMQL-UHFFFAOYSA-N 2 2 358.446 0.010 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[C@H]1C(F)(F)F ZINC001342480229 1269487491 /nfs/dbraw/zinc/48/74/91/1269487491.db2.gz DOOKVUYPGZYOOS-SYQHCUMBSA-N 2 2 365.396 0.604 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001342549143 1269510793 /nfs/dbraw/zinc/51/07/93/1269510793.db2.gz PHJIZQWGQQCYMT-UPHRSURJSA-N 2 2 358.486 0.596 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001342939324 1269690694 /nfs/dbraw/zinc/69/06/94/1269690694.db2.gz IBBZMDFGPVGWMO-HZPDHXFCSA-N 2 2 363.462 0.087 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001342939324 1269690702 /nfs/dbraw/zinc/69/07/02/1269690702.db2.gz IBBZMDFGPVGWMO-HZPDHXFCSA-N 2 2 363.462 0.087 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001343318294 1269857177 /nfs/dbraw/zinc/85/71/77/1269857177.db2.gz LQVCBBSXCATGAG-MRXNPFEDSA-N 2 2 360.462 0.350 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001343318294 1269857191 /nfs/dbraw/zinc/85/71/91/1269857191.db2.gz LQVCBBSXCATGAG-MRXNPFEDSA-N 2 2 360.462 0.350 20 0 FCADLP CCN(C)C(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001571334467 1269929784 /nfs/dbraw/zinc/92/97/84/1269929784.db2.gz ZMBJMWMWEPOZCZ-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CCN(C)C(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001571334467 1269929787 /nfs/dbraw/zinc/92/97/87/1269929787.db2.gz ZMBJMWMWEPOZCZ-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H]1c2nncn2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001343558594 1269946790 /nfs/dbraw/zinc/94/67/90/1269946790.db2.gz DKUFAUOJUFDEEA-CQSZACIVSA-N 2 2 361.494 0.923 20 0 FCADLP CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)CCC[NH+](C)C ZINC001344181917 1270108995 /nfs/dbraw/zinc/10/89/95/1270108995.db2.gz WEXSFSKTPLZOKB-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001572962521 1270417675 /nfs/dbraw/zinc/41/76/75/1270417675.db2.gz RZSFFLFGXRQIKG-BFYDXBDKSA-N 2 2 365.478 0.201 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260396 1271131787 /nfs/dbraw/zinc/13/17/87/1271131787.db2.gz HTKRQSFKGJXYPT-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260396 1271131791 /nfs/dbraw/zinc/13/17/91/1271131791.db2.gz HTKRQSFKGJXYPT-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260396 1271131799 /nfs/dbraw/zinc/13/17/99/1271131799.db2.gz HTKRQSFKGJXYPT-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260396 1271131803 /nfs/dbraw/zinc/13/18/03/1271131803.db2.gz HTKRQSFKGJXYPT-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001574261920 1271138140 /nfs/dbraw/zinc/13/81/40/1271138140.db2.gz NDVQEUCAPHZGEG-OAHLLOKOSA-N 2 2 372.477 0.933 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001574261920 1271138145 /nfs/dbraw/zinc/13/81/45/1271138145.db2.gz NDVQEUCAPHZGEG-OAHLLOKOSA-N 2 2 372.477 0.933 20 0 FCADLP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598704 1271401562 /nfs/dbraw/zinc/40/15/62/1271401562.db2.gz WSWJXXUESCRFHH-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598704 1271401569 /nfs/dbraw/zinc/40/15/69/1271401569.db2.gz WSWJXXUESCRFHH-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574786715 1271518395 /nfs/dbraw/zinc/51/83/95/1271518395.db2.gz XFSBEWUAUCEMPL-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574786715 1271518402 /nfs/dbraw/zinc/51/84/02/1271518402.db2.gz XFSBEWUAUCEMPL-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574785761 1271518429 /nfs/dbraw/zinc/51/84/29/1271518429.db2.gz MGJJIEWOFDQDOM-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574785761 1271518438 /nfs/dbraw/zinc/51/84/38/1271518438.db2.gz MGJJIEWOFDQDOM-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574876407 1271633067 /nfs/dbraw/zinc/63/30/67/1271633067.db2.gz JEHDBRICFMYDCG-VXGBXAGGSA-N 2 2 367.417 0.059 20 0 FCADLP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC001575047541 1271700807 /nfs/dbraw/zinc/70/08/07/1271700807.db2.gz CKQXTXHCXDMCKT-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575292955 1271876412 /nfs/dbraw/zinc/87/64/12/1271876412.db2.gz GRUWFJFMAWNORN-NSHDSACASA-N 2 2 372.458 0.761 20 0 FCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575379099 1272022045 /nfs/dbraw/zinc/02/20/45/1272022045.db2.gz LVCHIBQXVBQMIP-QWRGUYRKSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575380887 1272023474 /nfs/dbraw/zinc/02/34/74/1272023474.db2.gz YCUFHCIXBLWIJQ-VXGBXAGGSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575386023 1272031931 /nfs/dbraw/zinc/03/19/31/1272031931.db2.gz QGEVAAHGTOBAMX-NWDGAFQWSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CCC([NH2+]Cc2cnn[nH]2)CC1 ZINC001575567763 1272204798 /nfs/dbraw/zinc/20/47/98/1272204798.db2.gz UYYHDXIMBYXJMQ-WLYUNCDWSA-N 2 2 350.467 0.290 20 0 FCADLP C[C@@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695976 1272313778 /nfs/dbraw/zinc/31/37/78/1272313778.db2.gz KQLVFXBKMNEDNL-RHSMWYFYSA-N 2 2 364.494 0.775 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2c[nH]nn2)CCOCC1 ZINC001576070057 1272829831 /nfs/dbraw/zinc/82/98/31/1272829831.db2.gz BUWGXCDACCJDPJ-KBPBESRZSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@H]([NH3+])C1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001576103903 1272888497 /nfs/dbraw/zinc/88/84/97/1272888497.db2.gz UBWWMOKHUATBCG-HOTGVXAUSA-N 2 2 355.479 0.080 20 0 FCADLP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256752 1273038893 /nfs/dbraw/zinc/03/88/93/1273038893.db2.gz SJCQRLAPJZCYLH-LRDDRELGSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256752 1273038900 /nfs/dbraw/zinc/03/89/00/1273038900.db2.gz SJCQRLAPJZCYLH-LRDDRELGSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576259850 1273049116 /nfs/dbraw/zinc/04/91/16/1273049116.db2.gz HBSUMOPDKVZKIF-MFKMUULPSA-N 2 2 372.458 0.831 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499607 1273361831 /nfs/dbraw/zinc/36/18/31/1273361831.db2.gz LUWFODKZSCQCKV-HOTGVXAUSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499607 1273361838 /nfs/dbraw/zinc/36/18/38/1273361838.db2.gz LUWFODKZSCQCKV-HOTGVXAUSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576506015 1273374007 /nfs/dbraw/zinc/37/40/07/1273374007.db2.gz LPRBTNAVJDWJIA-LBPRGKRZSA-N 2 2 351.480 0.816 20 0 FCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576506015 1273374015 /nfs/dbraw/zinc/37/40/15/1273374015.db2.gz LPRBTNAVJDWJIA-LBPRGKRZSA-N 2 2 351.480 0.816 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576508266 1273380512 /nfs/dbraw/zinc/38/05/12/1273380512.db2.gz GDBAGJXUKQDPOU-MEWXFMAXSA-N 2 2 370.461 0.828 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C)[NH+](C)C ZINC001576509082 1273382073 /nfs/dbraw/zinc/38/20/73/1273382073.db2.gz UKFXPFSSDAVZLY-KWCYVHTRSA-N 2 2 358.450 0.685 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576521970 1273407756 /nfs/dbraw/zinc/40/77/56/1273407756.db2.gz MPTTVZXHWSKUHP-GJZGRUSLSA-N 2 2 356.446 0.192 20 0 FCADLP CC[C@@H](C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576522493 1273410235 /nfs/dbraw/zinc/41/02/35/1273410235.db2.gz WAVOQDJSPAKXHY-SUMWQHHRSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@@H]1C[NH3+] ZINC001576700809 1273568292 /nfs/dbraw/zinc/56/82/92/1273568292.db2.gz WGEFHJCBTIQXPW-BFYDXBDKSA-N 2 2 356.536 0.963 20 0 FCADLP C[C@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC001576806556 1273716648 /nfs/dbraw/zinc/71/66/48/1273716648.db2.gz ICNMQKDAPLBUEI-HNNXBMFYSA-N 2 2 353.488 0.808 20 0 FCADLP C[C@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC2(CC[NH2+]CC2)O1 ZINC001576806556 1273716651 /nfs/dbraw/zinc/71/66/51/1273716651.db2.gz ICNMQKDAPLBUEI-HNNXBMFYSA-N 2 2 353.488 0.808 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576835525 1273765609 /nfs/dbraw/zinc/76/56/09/1273765609.db2.gz OKKRYFDZAJRWLA-CQSZACIVSA-N 2 2 372.408 0.887 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576836003 1273769233 /nfs/dbraw/zinc/76/92/33/1273769233.db2.gz UVMGKRHQZHYUCH-ZDUSSCGKSA-N 2 2 369.433 0.504 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001576855197 1273809550 /nfs/dbraw/zinc/80/95/50/1273809550.db2.gz SOVQGOCXLCEWQF-DJIMGWMZSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001576855197 1273809564 /nfs/dbraw/zinc/80/95/64/1273809564.db2.gz SOVQGOCXLCEWQF-DJIMGWMZSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861253 1273824481 /nfs/dbraw/zinc/82/44/81/1273824481.db2.gz PNLDHUQCARAEKN-HZPDHXFCSA-N 2 2 364.494 0.302 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861253 1273824485 /nfs/dbraw/zinc/82/44/85/1273824485.db2.gz PNLDHUQCARAEKN-HZPDHXFCSA-N 2 2 364.494 0.302 20 0 FCADLP C[C@@H]1C[N@H+](Cc2c[nH]nn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001577171201 1274219041 /nfs/dbraw/zinc/21/90/41/1274219041.db2.gz LPMMDXQMGKMNPX-HUUCEWRRSA-N 2 2 350.467 0.101 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2c[nH]nn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001577171201 1274219046 /nfs/dbraw/zinc/21/90/46/1274219046.db2.gz LPMMDXQMGKMNPX-HUUCEWRRSA-N 2 2 350.467 0.101 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577557041 1274498722 /nfs/dbraw/zinc/49/87/22/1274498722.db2.gz PHIOPZQWPQMKBH-UHFFFAOYSA-N 2 2 358.450 0.642 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577557041 1274498724 /nfs/dbraw/zinc/49/87/24/1274498724.db2.gz PHIOPZQWPQMKBH-UHFFFAOYSA-N 2 2 358.450 0.642 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577563711 1274518418 /nfs/dbraw/zinc/51/84/18/1274518418.db2.gz YGANFBPULAGIRJ-CYBMUJFWSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577563711 1274518421 /nfs/dbraw/zinc/51/84/21/1274518421.db2.gz YGANFBPULAGIRJ-CYBMUJFWSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563637 1274518523 /nfs/dbraw/zinc/51/85/23/1274518523.db2.gz VFWKZNIKZKQWEP-UHFFFAOYSA-N 2 2 351.480 0.818 20 0 FCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563637 1274518528 /nfs/dbraw/zinc/51/85/28/1274518528.db2.gz VFWKZNIKZKQWEP-UHFFFAOYSA-N 2 2 351.480 0.818 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577564945 1274520670 /nfs/dbraw/zinc/52/06/70/1274520670.db2.gz DMLQOPSIXLEHRA-TZMCWYRMSA-N 2 2 358.450 0.544 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577564945 1274520676 /nfs/dbraw/zinc/52/06/76/1274520676.db2.gz DMLQOPSIXLEHRA-TZMCWYRMSA-N 2 2 358.450 0.544 20 0 FCADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2 ZINC001580763953 1278886986 /nfs/dbraw/zinc/88/69/86/1278886986.db2.gz TVKYRQFSKIOOSQ-BDJLRTHQSA-N 2 2 364.402 0.584 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001577888778 1275097717 /nfs/dbraw/zinc/09/77/17/1275097717.db2.gz WKPQUHFVEGHLQI-OKILXGFUSA-N 2 2 370.461 0.498 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577946979 1275166243 /nfs/dbraw/zinc/16/62/43/1275166243.db2.gz QXXLJESXZPJVEG-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577946979 1275166245 /nfs/dbraw/zinc/16/62/45/1275166245.db2.gz QXXLJESXZPJVEG-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578038230 1275318500 /nfs/dbraw/zinc/31/85/00/1275318500.db2.gz QSWZBNJEYHEYSD-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578038230 1275318507 /nfs/dbraw/zinc/31/85/07/1275318507.db2.gz QSWZBNJEYHEYSD-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CCN(CCNC(=O)Cn1cc[nH+]c1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578045704 1275334970 /nfs/dbraw/zinc/33/49/70/1275334970.db2.gz OCBQATVRMOHGKE-UHFFFAOYSA-N 2 2 355.406 0.409 20 0 FCADLP CCOCCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001578115674 1275417197 /nfs/dbraw/zinc/41/71/97/1275417197.db2.gz SJXBEBMUIQDZGV-OAGGEKHMSA-N 2 2 366.510 0.676 20 0 FCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC001578155512 1275455408 /nfs/dbraw/zinc/45/54/08/1275455408.db2.gz OUNXSGPHRGMFLC-BRWVUGGUSA-N 2 2 361.490 0.414 20 0 FCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC001578155512 1275455410 /nfs/dbraw/zinc/45/54/10/1275455410.db2.gz OUNXSGPHRGMFLC-BRWVUGGUSA-N 2 2 361.490 0.414 20 0 FCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218027 1275511079 /nfs/dbraw/zinc/51/10/79/1275511079.db2.gz WLWYGOTYZYXDBI-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP CC[N@H+]1CC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218027 1275511082 /nfs/dbraw/zinc/51/10/82/1275511082.db2.gz WLWYGOTYZYXDBI-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP CC[NH+]1CC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218027 1275511085 /nfs/dbraw/zinc/51/10/85/1275511085.db2.gz WLWYGOTYZYXDBI-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP CC[NH+]1CC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218027 1275511087 /nfs/dbraw/zinc/51/10/87/1275511087.db2.gz WLWYGOTYZYXDBI-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578515690 1275953757 /nfs/dbraw/zinc/95/37/57/1275953757.db2.gz NNNDDPFNNSDMKC-IYHXRUFHSA-N 2 2 351.491 0.639 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578515690 1275953761 /nfs/dbraw/zinc/95/37/61/1275953761.db2.gz NNNDDPFNNSDMKC-IYHXRUFHSA-N 2 2 351.491 0.639 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578525017 1275957182 /nfs/dbraw/zinc/95/71/82/1275957182.db2.gz MJXOMTIEPDDZJG-IAGOWNOFSA-N 3 2 352.523 0.900 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578525017 1275957189 /nfs/dbraw/zinc/95/71/89/1275957189.db2.gz MJXOMTIEPDDZJG-IAGOWNOFSA-N 3 2 352.523 0.900 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578525020 1275957400 /nfs/dbraw/zinc/95/74/00/1275957400.db2.gz MJXOMTIEPDDZJG-SJORKVTESA-N 3 2 352.523 0.900 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578525020 1275957402 /nfs/dbraw/zinc/95/74/02/1275957402.db2.gz MJXOMTIEPDDZJG-SJORKVTESA-N 3 2 352.523 0.900 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532691 1275963149 /nfs/dbraw/zinc/96/31/49/1275963149.db2.gz SELDKSGBETWEKU-UONOGXRCSA-N 2 2 355.483 0.589 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532691 1275963155 /nfs/dbraw/zinc/96/31/55/1275963155.db2.gz SELDKSGBETWEKU-UONOGXRCSA-N 2 2 355.483 0.589 20 0 FCADLP CNC(=O)CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1Cc1c[nH+]ccc1OC ZINC001578553156 1275980203 /nfs/dbraw/zinc/98/02/03/1275980203.db2.gz LMRFEKGEYFCBGV-AWEZNQCLSA-N 2 2 373.461 0.727 20 0 FCADLP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001580829973 1279008513 /nfs/dbraw/zinc/00/85/13/1279008513.db2.gz YCLVRLYQYLTJBP-MRXNPFEDSA-N 2 2 354.458 0.882 20 0 FCADLP CN(C(=O)C1(C[NH+](C)C)CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578968084 1276511430 /nfs/dbraw/zinc/51/14/30/1276511430.db2.gz DMXZCJHVGBQFBF-UHFFFAOYSA-N 2 2 369.473 0.851 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001578980178 1276541068 /nfs/dbraw/zinc/54/10/68/1276541068.db2.gz CIEHVFFEJJSLIZ-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001578980178 1276541069 /nfs/dbraw/zinc/54/10/69/1276541069.db2.gz CIEHVFFEJJSLIZ-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579099371 1276754643 /nfs/dbraw/zinc/75/46/43/1276754643.db2.gz ZHHMPHZGBVXAMT-SJORKVTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579099371 1276754649 /nfs/dbraw/zinc/75/46/49/1276754649.db2.gz ZHHMPHZGBVXAMT-SJORKVTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579099371 1276754656 /nfs/dbraw/zinc/75/46/56/1276754656.db2.gz ZHHMPHZGBVXAMT-SJORKVTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579099371 1276754662 /nfs/dbraw/zinc/75/46/62/1276754662.db2.gz ZHHMPHZGBVXAMT-SJORKVTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001579131953 1276825403 /nfs/dbraw/zinc/82/54/03/1276825403.db2.gz HSUZCMOTPSGQHY-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001579131953 1276825406 /nfs/dbraw/zinc/82/54/06/1276825406.db2.gz HSUZCMOTPSGQHY-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579131953 1276825414 /nfs/dbraw/zinc/82/54/14/1276825414.db2.gz HSUZCMOTPSGQHY-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579131953 1276825424 /nfs/dbraw/zinc/82/54/24/1276825424.db2.gz HSUZCMOTPSGQHY-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]cn1C ZINC001579133902 1276831249 /nfs/dbraw/zinc/83/12/49/1276831249.db2.gz DLUXRMNLOBAGNK-UHFFFAOYSA-N 2 2 368.445 0.733 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]cn1C ZINC001579133902 1276831268 /nfs/dbraw/zinc/83/12/68/1276831268.db2.gz DLUXRMNLOBAGNK-UHFFFAOYSA-N 2 2 368.445 0.733 20 0 FCADLP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579166883 1276917055 /nfs/dbraw/zinc/91/70/55/1276917055.db2.gz LENLDMJQEPTQIR-UHFFFAOYSA-N 2 2 361.475 0.572 20 0 FCADLP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579166883 1276917065 /nfs/dbraw/zinc/91/70/65/1276917065.db2.gz LENLDMJQEPTQIR-UHFFFAOYSA-N 2 2 361.475 0.572 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579285211 1277106636 /nfs/dbraw/zinc/10/66/36/1277106636.db2.gz SGWAVDNBVWAZRA-LBPRGKRZSA-N 2 2 353.390 0.196 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335892 1277175581 /nfs/dbraw/zinc/17/55/81/1277175581.db2.gz WLIPIVYQZJJITI-RYUDHWBXSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335892 1277175593 /nfs/dbraw/zinc/17/55/93/1277175593.db2.gz WLIPIVYQZJJITI-RYUDHWBXSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335892 1277175594 /nfs/dbraw/zinc/17/55/94/1277175594.db2.gz WLIPIVYQZJJITI-RYUDHWBXSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335892 1277175595 /nfs/dbraw/zinc/17/55/95/1277175595.db2.gz WLIPIVYQZJJITI-RYUDHWBXSA-N 2 2 361.475 0.570 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579353463 1277211532 /nfs/dbraw/zinc/21/15/32/1277211532.db2.gz MSAWBGPOOIPZFO-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579353463 1277211535 /nfs/dbraw/zinc/21/15/35/1277211535.db2.gz MSAWBGPOOIPZFO-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP C[S@](=O)C1(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001579354635 1277217123 /nfs/dbraw/zinc/21/71/23/1277217123.db2.gz LMUQVBRIXJMVRJ-MYYSRTQBSA-N 2 2 353.463 0.799 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356518 1277222724 /nfs/dbraw/zinc/22/27/24/1277222724.db2.gz LIMUQCXDWUAYRN-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356518 1277222725 /nfs/dbraw/zinc/22/27/25/1277222725.db2.gz LIMUQCXDWUAYRN-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356518 1277222727 /nfs/dbraw/zinc/22/27/27/1277222727.db2.gz LIMUQCXDWUAYRN-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356518 1277222729 /nfs/dbraw/zinc/22/27/29/1277222729.db2.gz LIMUQCXDWUAYRN-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357595 1277225516 /nfs/dbraw/zinc/22/55/16/1277225516.db2.gz ZEOJJXQIVPVCJD-OBJOEFQTSA-N 2 2 373.486 0.808 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357595 1277225522 /nfs/dbraw/zinc/22/55/22/1277225522.db2.gz ZEOJJXQIVPVCJD-OBJOEFQTSA-N 2 2 373.486 0.808 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357595 1277225528 /nfs/dbraw/zinc/22/55/28/1277225528.db2.gz ZEOJJXQIVPVCJD-OBJOEFQTSA-N 2 2 373.486 0.808 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001579357595 1277225537 /nfs/dbraw/zinc/22/55/37/1277225537.db2.gz ZEOJJXQIVPVCJD-OBJOEFQTSA-N 2 2 373.486 0.808 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579358666 1277227003 /nfs/dbraw/zinc/22/70/03/1277227003.db2.gz HOFVBMRYPGWWQP-CQSZACIVSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579358666 1277227006 /nfs/dbraw/zinc/22/70/06/1277227006.db2.gz HOFVBMRYPGWWQP-CQSZACIVSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579359404 1277231210 /nfs/dbraw/zinc/23/12/10/1277231210.db2.gz UHPZQYNRUBVJCQ-OAHLLOKOSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579359404 1277231215 /nfs/dbraw/zinc/23/12/15/1277231215.db2.gz UHPZQYNRUBVJCQ-OAHLLOKOSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359957 1277233731 /nfs/dbraw/zinc/23/37/31/1277233731.db2.gz GCBCNQDRNDYRIG-ZOWXZIJZSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359957 1277233733 /nfs/dbraw/zinc/23/37/33/1277233733.db2.gz GCBCNQDRNDYRIG-ZOWXZIJZSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366282 1277247842 /nfs/dbraw/zinc/24/78/42/1277247842.db2.gz RDPFKXYCMOCUIV-CVEARBPZSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366282 1277247844 /nfs/dbraw/zinc/24/78/44/1277247844.db2.gz RDPFKXYCMOCUIV-CVEARBPZSA-N 2 2 370.461 0.475 20 0 FCADLP Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc(C[NH3+])n1C ZINC001579524228 1277482301 /nfs/dbraw/zinc/48/23/01/1277482301.db2.gz JXSVKOPUYLGBQO-UHFFFAOYSA-N 2 2 356.492 0.031 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001713452907 1287279216 /nfs/dbraw/zinc/27/92/16/1287279216.db2.gz HHZVKYRTDTVGRP-ZIAGYGMSSA-N 2 2 350.467 0.055 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001713452907 1287279221 /nfs/dbraw/zinc/27/92/21/1287279221.db2.gz HHZVKYRTDTVGRP-ZIAGYGMSSA-N 2 2 350.467 0.055 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n(C)n1 ZINC001713452907 1287279222 /nfs/dbraw/zinc/27/92/22/1287279222.db2.gz HHZVKYRTDTVGRP-ZIAGYGMSSA-N 2 2 350.467 0.055 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n(C)n1 ZINC001713452907 1287279223 /nfs/dbraw/zinc/27/92/23/1287279223.db2.gz HHZVKYRTDTVGRP-ZIAGYGMSSA-N 2 2 350.467 0.055 20 0 FCADLP Cc1cc(N2CCN(S(=O)(=O)CC3C[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC001579623639 1277669729 /nfs/dbraw/zinc/66/97/29/1277669729.db2.gz KIXXLAIASKHUBU-UHFFFAOYSA-N 2 2 353.492 0.580 20 0 FCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580248002 1278053028 /nfs/dbraw/zinc/05/30/28/1278053028.db2.gz QKIXBVLTSQJVMM-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987266 1279184405 /nfs/dbraw/zinc/18/44/05/1279184405.db2.gz HTMCLWXVYSGWEU-VXGBXAGGSA-N 2 2 369.433 0.653 20 0 FCADLP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991314 1279194693 /nfs/dbraw/zinc/19/46/93/1279194693.db2.gz YHDGKMVMCSKEHD-RYUDHWBXSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580991826 1279196416 /nfs/dbraw/zinc/19/64/16/1279196416.db2.gz WWEAGTRCAPXQJY-JTQLQIEISA-N 2 2 369.433 0.573 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580995091 1279205883 /nfs/dbraw/zinc/20/58/83/1279205883.db2.gz XDEFMQUVLUHWCL-GFCCVEGCSA-N 2 2 369.433 0.456 20 0 FCADLP Cc1cc(N[C@H](C)CNC(=O)CCc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996234 1279206621 /nfs/dbraw/zinc/20/66/21/1279206621.db2.gz YBNGXKZTIFFANX-GFCCVEGCSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002686 1279218514 /nfs/dbraw/zinc/21/85/14/1279218514.db2.gz VFHCOYJQCZFNTF-DGCLKSJQSA-N 2 2 367.417 0.359 20 0 FCADLP Cc1cc(N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004293 1279223479 /nfs/dbraw/zinc/22/34/79/1279223479.db2.gz PYBCHBODUMNDHG-GFCCVEGCSA-N 2 2 367.417 0.361 20 0 FCADLP Cc1cc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006348 1279224274 /nfs/dbraw/zinc/22/42/74/1279224274.db2.gz PJUWGXVRGRGAOP-OCCSQVGLSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(NC[C@H](C)N(C)C(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011742 1279238455 /nfs/dbraw/zinc/23/84/55/1279238455.db2.gz NYOHFIZJIQBHBW-LBPRGKRZSA-N 2 2 355.406 0.148 20 0 FCADLP Cc1cc(NC[C@@H](C)CNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012900 1279239708 /nfs/dbraw/zinc/23/97/08/1279239708.db2.gz DJNRYHFINLXOSV-LLVKDONJSA-N 2 2 369.433 0.132 20 0 FCADLP Cc1cc(NC[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013331 1279240126 /nfs/dbraw/zinc/24/01/26/1279240126.db2.gz NAVGCUZPNFTSEG-SNVBAGLBSA-N 2 2 355.406 0.122 20 0 FCADLP Cc1cc(NCCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027207 1279260531 /nfs/dbraw/zinc/26/05/31/1279260531.db2.gz NBIDQCDVNAGVME-CYBMUJFWSA-N 2 2 369.433 0.758 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337961 1279714969 /nfs/dbraw/zinc/71/49/69/1279714969.db2.gz PJSSMIAMZFYIIC-IAQYHMDHSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581339398 1279720314 /nfs/dbraw/zinc/72/03/14/1279720314.db2.gz GBFXSEILBDLUPE-KRWDZBQOSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581338827 1279720597 /nfs/dbraw/zinc/72/05/97/1279720597.db2.gz VXXWQBPEMOPOMN-ZDUSSCGKSA-N 2 2 367.417 0.552 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCn1cc[nH+]c1 ZINC001603493400 1287390461 /nfs/dbraw/zinc/39/04/61/1287390461.db2.gz LNURDBJQDWKQFT-CYBMUJFWSA-N 2 2 369.433 0.667 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCn1cc[nH+]c1 ZINC001603493401 1287390688 /nfs/dbraw/zinc/39/06/88/1287390688.db2.gz LNURDBJQDWKQFT-ZDUSSCGKSA-N 2 2 369.433 0.667 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563000 1280138854 /nfs/dbraw/zinc/13/88/54/1280138854.db2.gz FHOUCCNJRIUIST-GHMZBOCLSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001581563278 1280138866 /nfs/dbraw/zinc/13/88/66/1280138866.db2.gz KEURGEGFBZVHEP-UHFFFAOYSA-N 2 2 372.458 0.872 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581563689 1280141326 /nfs/dbraw/zinc/14/13/26/1280141326.db2.gz LFOPAXBMAGZYNH-UHFFFAOYSA-N 2 2 353.390 0.115 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563784 1280142076 /nfs/dbraw/zinc/14/20/76/1280142076.db2.gz RKOABQNVQNQHMT-CYBMUJFWSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581565377 1280144775 /nfs/dbraw/zinc/14/47/75/1280144775.db2.gz NQNCBOBNEBMBPH-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581565377 1280144779 /nfs/dbraw/zinc/14/47/79/1280144779.db2.gz NQNCBOBNEBMBPH-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581565203 1280145631 /nfs/dbraw/zinc/14/56/31/1280145631.db2.gz CSZVLUIQXSBFJY-HAQNSBGRSA-N 2 2 372.458 0.870 20 0 FCADLP C[C@H]([NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(N)=O ZINC001717003304 1287400582 /nfs/dbraw/zinc/40/05/82/1287400582.db2.gz UPMMPXMTBXOAEY-RFBLXINOSA-N 2 2 361.490 0.910 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2ccon2)CC1 ZINC001717323056 1287420052 /nfs/dbraw/zinc/42/00/52/1287420052.db2.gz MNMXLJABHBMBFB-HUUCEWRRSA-N 2 2 359.430 0.655 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581814639 1280558863 /nfs/dbraw/zinc/55/88/63/1280558863.db2.gz WEVNMODFGJMSTN-OAHLLOKOSA-N 2 2 366.429 0.533 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603591187 1287430950 /nfs/dbraw/zinc/43/09/50/1287430950.db2.gz ZEBBUSYIGOLRTH-IAQYHMDHSA-N 2 2 352.402 0.455 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582050212 1280972554 /nfs/dbraw/zinc/97/25/54/1280972554.db2.gz PEMVBBGJSOXSFG-ZDUSSCGKSA-N 2 2 367.417 0.373 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582097806 1281052954 /nfs/dbraw/zinc/05/29/54/1281052954.db2.gz OHEBOANSVHVXMU-CYBMUJFWSA-N 2 2 356.434 0.182 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582099442 1281055317 /nfs/dbraw/zinc/05/53/17/1281055317.db2.gz ROSDAAVMOWNZFH-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582099442 1281055321 /nfs/dbraw/zinc/05/53/21/1281055321.db2.gz ROSDAAVMOWNZFH-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582100327 1281057146 /nfs/dbraw/zinc/05/71/46/1281057146.db2.gz FYGLBBZXWRZHBM-HDJSIYSDSA-N 2 2 370.461 0.619 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582100837 1281058070 /nfs/dbraw/zinc/05/80/70/1281058070.db2.gz QTXVVGAXPMGMIW-LBPRGKRZSA-N 2 2 361.475 0.715 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582100837 1281058074 /nfs/dbraw/zinc/05/80/74/1281058074.db2.gz QTXVVGAXPMGMIW-LBPRGKRZSA-N 2 2 361.475 0.715 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171460 1281139212 /nfs/dbraw/zinc/13/92/12/1281139212.db2.gz MHGCAIHWBUDQNG-JOCQHMNTSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582171534 1281139432 /nfs/dbraw/zinc/13/94/32/1281139432.db2.gz POKSCYQSGISCPZ-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582171534 1281139437 /nfs/dbraw/zinc/13/94/37/1281139437.db2.gz POKSCYQSGISCPZ-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171260 1281140107 /nfs/dbraw/zinc/14/01/07/1281140107.db2.gz BVDZYKKYTNVDQZ-MQMHXKEQSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582171258 1281140313 /nfs/dbraw/zinc/14/03/13/1281140313.db2.gz BTUSYAPAEQMDPR-HDJSIYSDSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171591 1281141000 /nfs/dbraw/zinc/14/10/00/1281141000.db2.gz RORQJKBCUJYENY-ZDUSSCGKSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171591 1281141003 /nfs/dbraw/zinc/14/10/03/1281141003.db2.gz RORQJKBCUJYENY-ZDUSSCGKSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582171614 1281141087 /nfs/dbraw/zinc/14/10/87/1281141087.db2.gz SVRKDSZSBLRNDU-OTVXOJSOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582182925 1281158662 /nfs/dbraw/zinc/15/86/62/1281158662.db2.gz MJIBWTQALXTKHK-OAHLLOKOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582197080 1281180024 /nfs/dbraw/zinc/18/00/24/1281180024.db2.gz DBRRBDRPLWIJSV-ZDUSSCGKSA-N 2 2 367.417 0.491 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582197505 1281182583 /nfs/dbraw/zinc/18/25/83/1281182583.db2.gz RDOQKTYMCUJSEA-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582197505 1281182587 /nfs/dbraw/zinc/18/25/87/1281182587.db2.gz RDOQKTYMCUJSEA-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001582197747 1281182984 /nfs/dbraw/zinc/18/29/84/1281182984.db2.gz XHUHQXGWPCRYAN-UPHRSURJSA-N 2 2 358.431 0.587 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582198114 1281184172 /nfs/dbraw/zinc/18/41/72/1281184172.db2.gz MRJXYRBNGYFTGN-NSHDSACASA-N 2 2 358.431 0.515 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582198114 1281184174 /nfs/dbraw/zinc/18/41/74/1281184174.db2.gz MRJXYRBNGYFTGN-NSHDSACASA-N 2 2 358.431 0.515 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001603905161 1287529027 /nfs/dbraw/zinc/52/90/27/1287529027.db2.gz CEHNUCUXRYMMSL-CYBMUJFWSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001603905161 1287529029 /nfs/dbraw/zinc/52/90/29/1287529029.db2.gz CEHNUCUXRYMMSL-CYBMUJFWSA-N 2 2 370.461 0.689 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+](C3CCOCC3)CC1)n2C ZINC001587471216 1282358455 /nfs/dbraw/zinc/35/84/55/1282358455.db2.gz VXOXSFGHKGOHSP-UHFFFAOYSA-N 2 2 372.473 0.971 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001635475459 1282410625 /nfs/dbraw/zinc/41/06/25/1282410625.db2.gz BPZMQDWVHWLRRZ-DOTOQJQBSA-N 2 2 356.511 0.705 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001635475459 1282410628 /nfs/dbraw/zinc/41/06/28/1282410628.db2.gz BPZMQDWVHWLRRZ-DOTOQJQBSA-N 2 2 356.511 0.705 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3cc([C@@H](C)O)nn3)CC2)CC1 ZINC001639386499 1282784739 /nfs/dbraw/zinc/78/47/39/1282784739.db2.gz KZGDQTAPQFWNAZ-OAHLLOKOSA-N 2 2 364.494 0.350 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3cc([C@@H](C)O)nn3)CC2)CC1 ZINC001639386499 1282784751 /nfs/dbraw/zinc/78/47/51/1282784751.db2.gz KZGDQTAPQFWNAZ-OAHLLOKOSA-N 2 2 364.494 0.350 20 0 FCADLP CC(C)[C@H](C[NH2+]Cc1nc(-c2nn[nH]n2)cs1)N1CC[NH+](C)CC1 ZINC001589456708 1282884538 /nfs/dbraw/zinc/88/45/38/1282884538.db2.gz LBTRJIABZICOJU-ZDUSSCGKSA-N 2 2 350.496 0.685 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307480 1283448560 /nfs/dbraw/zinc/44/85/60/1283448560.db2.gz NDLPCCRLNGEMCI-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307480 1283448568 /nfs/dbraw/zinc/44/85/68/1283448568.db2.gz NDLPCCRLNGEMCI-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)[NH+](CC)CC ZINC001682504067 1283626329 /nfs/dbraw/zinc/62/63/29/1283626329.db2.gz XMPDRVBDJLVQTE-BZUAXINKSA-N 2 2 365.478 0.151 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)[NH+](CC)CC ZINC001682504067 1283626344 /nfs/dbraw/zinc/62/63/44/1283626344.db2.gz XMPDRVBDJLVQTE-BZUAXINKSA-N 2 2 365.478 0.151 20 0 FCADLP CCN(CCCNC(=O)CCn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590698396 1283741065 /nfs/dbraw/zinc/74/10/65/1283741065.db2.gz ULPQURYMINRRQQ-UHFFFAOYSA-N 2 2 369.433 0.881 20 0 FCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1(C)C ZINC001591010236 1284071334 /nfs/dbraw/zinc/07/13/34/1284071334.db2.gz UJBPJMMOBAAGNH-APHBMKBZSA-N 2 2 360.462 0.925 20 0 FCADLP C[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591177087 1284273700 /nfs/dbraw/zinc/27/37/00/1284273700.db2.gz VQORXAPEGSVDLL-GFCCVEGCSA-N 2 2 350.448 0.182 20 0 FCADLP C[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591177087 1284273709 /nfs/dbraw/zinc/27/37/09/1284273709.db2.gz VQORXAPEGSVDLL-GFCCVEGCSA-N 2 2 350.448 0.182 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1-c1nn[nH]n1 ZINC001591218495 1284353683 /nfs/dbraw/zinc/35/36/83/1284353683.db2.gz QMGPDHSFZKXKQO-GFCCVEGCSA-N 2 2 359.438 0.307 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1-c1nn[nH]n1 ZINC001591218495 1284353688 /nfs/dbraw/zinc/35/36/88/1284353688.db2.gz QMGPDHSFZKXKQO-GFCCVEGCSA-N 2 2 359.438 0.307 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001591791870 1284905321 /nfs/dbraw/zinc/90/53/21/1284905321.db2.gz TUSNCIDDAANYJU-UHFFFAOYSA-N 2 2 358.381 0.486 20 0 FCADLP [NH3+]C/C=C/CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592743823 1285663627 /nfs/dbraw/zinc/66/36/27/1285663627.db2.gz DXTQSTDFQNDCTA-OWOJBTEDSA-N 2 2 356.434 0.209 20 0 FCADLP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[NH2+]C[C@H]1C(F)F ZINC001592785907 1285710758 /nfs/dbraw/zinc/71/07/58/1285710758.db2.gz BCUFWCHJEGDYME-QWHCGFSZSA-N 2 2 363.372 0.119 20 0 FCADLP O=C(CC[NH2+][C@H]1CCn2c[nH+]cc2C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001592842395 1285750137 /nfs/dbraw/zinc/75/01/37/1285750137.db2.gz BQKLCGLSUDFFIF-ZDUSSCGKSA-N 2 2 352.402 0.996 20 0 FCADLP C[N@H+](Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001609281332 1289043094 /nfs/dbraw/zinc/04/30/94/1289043094.db2.gz VPEPWRKNFZOPCL-PBWFPOADSA-N 2 2 353.434 0.966 20 0 FCADLP C[N@@H+](Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001609281332 1289043103 /nfs/dbraw/zinc/04/31/03/1289043103.db2.gz VPEPWRKNFZOPCL-PBWFPOADSA-N 2 2 353.434 0.966 20 0 FCADLP C[NH+](Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001609281332 1289043110 /nfs/dbraw/zinc/04/31/10/1289043110.db2.gz VPEPWRKNFZOPCL-PBWFPOADSA-N 2 2 353.434 0.966 20 0 FCADLP C[NH+](Cc1cnc2c(-c3nn[nH]n3)cnn2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001609281332 1289043119 /nfs/dbraw/zinc/04/31/19/1289043119.db2.gz VPEPWRKNFZOPCL-PBWFPOADSA-N 2 2 353.434 0.966 20 0 FCADLP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)c1cc2c[nH+]ccc2[nH]1 ZINC001593075838 1285971597 /nfs/dbraw/zinc/97/15/97/1285971597.db2.gz FGMYQUQQJHVNAJ-UHFFFAOYSA-N 2 2 363.385 0.792 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCn2c[nH+]cc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504727 1286185121 /nfs/dbraw/zinc/18/51/21/1286185121.db2.gz MFTADTVHCCXKPC-DZGCQCFKSA-N 2 2 355.402 0.408 20 0 FCADLP c1cnc(NCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC001593584286 1286205880 /nfs/dbraw/zinc/20/58/80/1286205880.db2.gz KDHQEPNUVPOTFR-AWEZNQCLSA-N 2 2 358.450 0.517 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001704279030 1286211146 /nfs/dbraw/zinc/21/11/46/1286211146.db2.gz POFAYHUMZWMGDG-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001704279030 1286211153 /nfs/dbraw/zinc/21/11/53/1286211153.db2.gz POFAYHUMZWMGDG-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001735990768 1289113363 /nfs/dbraw/zinc/11/33/63/1289113363.db2.gz RUPPDTUYTNQFOO-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001735990768 1289113365 /nfs/dbraw/zinc/11/33/65/1289113365.db2.gz RUPPDTUYTNQFOO-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C[NH+](C)C)on2)c1-c1nn[nH]n1 ZINC001604892616 1287808982 /nfs/dbraw/zinc/80/89/82/1287808982.db2.gz RNROKQLINIFLLJ-UHFFFAOYSA-N 2 2 374.409 0.044 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001721154591 1288302676 /nfs/dbraw/zinc/30/26/76/1288302676.db2.gz IKXXYDDJIZPNRE-BZUAXINKSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001721154591 1288302684 /nfs/dbraw/zinc/30/26/84/1288302684.db2.gz IKXXYDDJIZPNRE-BZUAXINKSA-N 2 2 361.490 0.750 20 0 FCADLP O=C(CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO)Nc1cccc(-c2nn[nH]n2)c1 ZINC001606524171 1288361678 /nfs/dbraw/zinc/36/16/78/1288361678.db2.gz OQDQWKWEAHPBDQ-INIZCTEOSA-N 2 2 373.461 0.632 20 0 FCADLP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)Nc1cccc(-c2nn[nH]n2)c1 ZINC001606524171 1288361679 /nfs/dbraw/zinc/36/16/79/1288361679.db2.gz OQDQWKWEAHPBDQ-INIZCTEOSA-N 2 2 373.461 0.632 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001606620855 1288413764 /nfs/dbraw/zinc/41/37/64/1288413764.db2.gz QUJNHQAQNHWVAG-UHFFFAOYSA-N 2 2 366.429 0.748 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001734270925 1288646943 /nfs/dbraw/zinc/64/69/43/1288646943.db2.gz PIQOJIIWFNDKQP-NUEKZKHPSA-N 2 2 361.490 0.923 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001734270925 1288646948 /nfs/dbraw/zinc/64/69/48/1288646948.db2.gz PIQOJIIWFNDKQP-NUEKZKHPSA-N 2 2 361.490 0.923 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001692064662 1289382587 /nfs/dbraw/zinc/38/25/87/1289382587.db2.gz UYZMJZYOWDNYIO-VYDXJSESSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001692064662 1289382598 /nfs/dbraw/zinc/38/25/98/1289382598.db2.gz UYZMJZYOWDNYIO-VYDXJSESSA-N 2 2 366.485 0.775 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001692086776 1289395214 /nfs/dbraw/zinc/39/52/14/1289395214.db2.gz MRKPAZCFIFOWMA-SJORKVTESA-N 2 2 350.463 0.453 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001692086776 1289395220 /nfs/dbraw/zinc/39/52/20/1289395220.db2.gz MRKPAZCFIFOWMA-SJORKVTESA-N 2 2 350.463 0.453 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001692182062 1289419660 /nfs/dbraw/zinc/41/96/60/1289419660.db2.gz LSFHJXMOQDQODG-MCIONIFRSA-N 2 2 364.450 0.005 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001692182062 1289419665 /nfs/dbraw/zinc/41/96/65/1289419665.db2.gz LSFHJXMOQDQODG-MCIONIFRSA-N 2 2 364.450 0.005 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@H+](CCO)CCCO)C1 ZINC001692242447 1289435761 /nfs/dbraw/zinc/43/57/61/1289435761.db2.gz UNHBFXDLUATFME-ARFHVFGLSA-N 2 2 350.463 0.191 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@@H+](CCO)CCCO)C1 ZINC001692242447 1289435768 /nfs/dbraw/zinc/43/57/68/1289435768.db2.gz UNHBFXDLUATFME-ARFHVFGLSA-N 2 2 350.463 0.191 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C)CS(C)(=O)=O ZINC001692367812 1289455099 /nfs/dbraw/zinc/45/50/99/1289455099.db2.gz BQBBNMJTJGPYBQ-ZNMIVQPWSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C)CS(C)(=O)=O ZINC001692367812 1289455102 /nfs/dbraw/zinc/45/51/02/1289455102.db2.gz BQBBNMJTJGPYBQ-ZNMIVQPWSA-N 2 2 359.536 0.730 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001698081859 1289523928 /nfs/dbraw/zinc/52/39/28/1289523928.db2.gz ASTKXMWSMJVCPR-HOTGVXAUSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001698081859 1289523931 /nfs/dbraw/zinc/52/39/31/1289523931.db2.gz ASTKXMWSMJVCPR-HOTGVXAUSA-N 2 2 366.510 0.464 20 0 FCADLP C[C@@H](CC[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699111054 1289546339 /nfs/dbraw/zinc/54/63/39/1289546339.db2.gz XMXNCRNTQHMIJN-HBNTYKKESA-N 2 2 363.447 0.488 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(=O)n2nccc2[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699366559 1289550865 /nfs/dbraw/zinc/55/08/65/1289550865.db2.gz POCDKGIZEQCHPJ-RAIGVLPGSA-N 2 2 355.402 0.144 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(=O)n2nccc2[nH]1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699366559 1289550872 /nfs/dbraw/zinc/55/08/72/1289550872.db2.gz POCDKGIZEQCHPJ-RAIGVLPGSA-N 2 2 355.402 0.144 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001699310797 1289550888 /nfs/dbraw/zinc/55/08/88/1289550888.db2.gz JDTKCGANVPVNSK-JGPFYOFESA-N 2 2 355.442 0.685 20 0 FCADLP CC[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[C@H](C)C(N)=O ZINC001700341527 1289592764 /nfs/dbraw/zinc/59/27/64/1289592764.db2.gz OTICFCRKYIOZBO-FVQBIDKESA-N 2 2 361.490 0.958 20 0 FCADLP CC[N@@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[C@H](C)C(N)=O ZINC001700341527 1289592770 /nfs/dbraw/zinc/59/27/70/1289592770.db2.gz OTICFCRKYIOZBO-FVQBIDKESA-N 2 2 361.490 0.958 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001739381860 1289885578 /nfs/dbraw/zinc/88/55/78/1289885578.db2.gz NBQYFDPVWMRKST-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001739381860 1289885588 /nfs/dbraw/zinc/88/55/88/1289885588.db2.gz NBQYFDPVWMRKST-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001621967724 1290075479 /nfs/dbraw/zinc/07/54/79/1290075479.db2.gz PBYHQRVWNVDMMP-FUHWJXTLSA-N 2 2 366.531 0.979 20 0 FCADLP C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001621967724 1290075491 /nfs/dbraw/zinc/07/54/91/1290075491.db2.gz PBYHQRVWNVDMMP-FUHWJXTLSA-N 2 2 366.531 0.979 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC001623682027 1290229767 /nfs/dbraw/zinc/22/97/67/1290229767.db2.gz DFVJAGDPOVTTLM-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1cn2nnc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2c(=O)[nH]1 ZINC001626419856 1290397840 /nfs/dbraw/zinc/39/78/40/1290397840.db2.gz BUZPNVPGNASWME-UHFFFAOYSA-N 2 2 368.401 0.537 20 0 FCADLP C[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001741851704 1290562238 /nfs/dbraw/zinc/56/22/38/1290562238.db2.gz LBPBKFZIPNOEHU-HOTGVXAUSA-N 2 2 366.510 0.501 20 0 FCADLP CC(C)COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754757598 1290631259 /nfs/dbraw/zinc/63/12/59/1290631259.db2.gz NUDSITJWFFRDNR-MDZRGWNJSA-N 2 2 364.490 0.749 20 0 FCADLP CC(C)COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754757598 1290631267 /nfs/dbraw/zinc/63/12/67/1290631267.db2.gz NUDSITJWFFRDNR-MDZRGWNJSA-N 2 2 364.490 0.749 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001757082200 1290711871 /nfs/dbraw/zinc/71/18/71/1290711871.db2.gz IVEZZCMMNRPMLZ-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001757082200 1290711878 /nfs/dbraw/zinc/71/18/78/1290711878.db2.gz IVEZZCMMNRPMLZ-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001757363906 1290761167 /nfs/dbraw/zinc/76/11/67/1290761167.db2.gz QQGZEYDMRJYARX-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001757363906 1290761169 /nfs/dbraw/zinc/76/11/69/1290761169.db2.gz QQGZEYDMRJYARX-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001757363906 1290761172 /nfs/dbraw/zinc/76/11/72/1290761172.db2.gz QQGZEYDMRJYARX-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)CC[N@@H+]1C ZINC001759900598 1290871249 /nfs/dbraw/zinc/87/12/49/1290871249.db2.gz LEIBVOTVXFOSFQ-RBSFLKMASA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)CC[N@H+]1C ZINC001759900598 1290871259 /nfs/dbraw/zinc/87/12/59/1290871259.db2.gz LEIBVOTVXFOSFQ-RBSFLKMASA-N 2 2 359.474 0.551 20 0 FCADLP O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371822 1290881002 /nfs/dbraw/zinc/88/10/02/1290881002.db2.gz LXAUQKOUMHDBND-NVXWUHKLSA-N 2 2 365.499 0.459 20 0 FCADLP O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371822 1290881010 /nfs/dbraw/zinc/88/10/10/1290881010.db2.gz LXAUQKOUMHDBND-NVXWUHKLSA-N 2 2 365.499 0.459 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001666267703 1291906682 /nfs/dbraw/zinc/90/66/82/1291906682.db2.gz KENFJKNLXARDOC-UHFFFAOYSA-N 2 2 366.531 0.995 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001666267703 1291906686 /nfs/dbraw/zinc/90/66/86/1291906686.db2.gz KENFJKNLXARDOC-UHFFFAOYSA-N 2 2 366.531 0.995 20 0 FCADLP CC(C)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001688554210 1294507528 /nfs/dbraw/zinc/50/75/28/1294507528.db2.gz QWVQNOGRRZRCED-IAGOWNOFSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001688554210 1294507534 /nfs/dbraw/zinc/50/75/34/1294507534.db2.gz QWVQNOGRRZRCED-IAGOWNOFSA-N 2 2 352.523 0.975 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001688668108 1294518461 /nfs/dbraw/zinc/51/84/61/1294518461.db2.gz XTGFGKXVVIOCII-HUUCEWRRSA-N 2 2 359.474 0.583 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001689010392 1294566365 /nfs/dbraw/zinc/56/63/65/1294566365.db2.gz NKOFAQGHARLNKE-MELADBBJSA-N 2 2 354.476 0.261 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001689022007 1294572984 /nfs/dbraw/zinc/57/29/84/1294572984.db2.gz PLXFLSDOILPDQA-SOUVJXGZSA-N 2 2 356.492 0.438 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1CCC[NH2+]CC(N)=O ZINC001689126617 1294620970 /nfs/dbraw/zinc/62/09/70/1294620970.db2.gz POMUVRPCUGGFQD-BFYDXBDKSA-N 2 2 361.490 0.928 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)CC[C@@H]2C1 ZINC001689239619 1294699631 /nfs/dbraw/zinc/69/96/31/1294699631.db2.gz UXULHRQUTZZHOT-HZSPNIEDSA-N 2 2 360.380 0.977 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)CC[C@@H]2C1 ZINC001689239619 1294699638 /nfs/dbraw/zinc/69/96/38/1294699638.db2.gz UXULHRQUTZZHOT-HZSPNIEDSA-N 2 2 360.380 0.977 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298469 1294724251 /nfs/dbraw/zinc/72/42/51/1294724251.db2.gz DOKBRUVUBJTVPE-LZWOXQAQSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298469 1294724262 /nfs/dbraw/zinc/72/42/62/1294724262.db2.gz DOKBRUVUBJTVPE-LZWOXQAQSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H](C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298469 1294724269 /nfs/dbraw/zinc/72/42/69/1294724269.db2.gz DOKBRUVUBJTVPE-LZWOXQAQSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H](C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298469 1294724280 /nfs/dbraw/zinc/72/42/80/1294724280.db2.gz DOKBRUVUBJTVPE-LZWOXQAQSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001690060488 1294852920 /nfs/dbraw/zinc/85/29/20/1294852920.db2.gz YMWGEWCXPGGZFD-GVDBMIGSSA-N 2 2 367.538 0.105 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001690060488 1294852928 /nfs/dbraw/zinc/85/29/28/1294852928.db2.gz YMWGEWCXPGGZFD-GVDBMIGSSA-N 2 2 367.538 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001691760620 1294919714 /nfs/dbraw/zinc/91/97/14/1294919714.db2.gz FAORQBOMKGGICH-BBWFWOEESA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001691760620 1294919726 /nfs/dbraw/zinc/91/97/26/1294919726.db2.gz FAORQBOMKGGICH-BBWFWOEESA-N 2 2 368.522 0.401 20 0 FCADLP COCCN1CC[N@H+](C)C2(CCN(c3cccc(N(C)C)[nH+]3)CC2)C1=O ZINC001164635685 719269630 /nfs/dbraw/zinc/26/96/30/719269630.db2.gz TUTIGUSZEVNNIW-UHFFFAOYSA-N 2 2 361.490 0.907 20 0 FCADLP COCCN1CC[N@@H+](C)C2(CCN(c3cccc(N(C)C)[nH+]3)CC2)C1=O ZINC001164635685 719269635 /nfs/dbraw/zinc/26/96/35/719269635.db2.gz TUTIGUSZEVNNIW-UHFFFAOYSA-N 2 2 361.490 0.907 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001164701867 719853586 /nfs/dbraw/zinc/85/35/86/719853586.db2.gz LHLXNZDKZJDIOP-KBXCAEBGSA-N 2 2 361.446 0.313 20 0 FCADLP [NH3+]Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncn1 ZINC001164946918 721971856 /nfs/dbraw/zinc/97/18/56/721971856.db2.gz ZDHNRBMOWOVDFN-UHFFFAOYSA-N 2 2 366.469 0.906 20 0 FCADLP [NH3+]Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncn1 ZINC001164946918 721971858 /nfs/dbraw/zinc/97/18/58/721971858.db2.gz ZDHNRBMOWOVDFN-UHFFFAOYSA-N 2 2 366.469 0.906 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015142 837597495 /nfs/dbraw/zinc/59/74/95/837597495.db2.gz HHVMLBZPKDWOPE-OAGGEKHMSA-N 2 2 352.458 0.710 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015142 837597497 /nfs/dbraw/zinc/59/74/97/837597497.db2.gz HHVMLBZPKDWOPE-OAGGEKHMSA-N 2 2 352.458 0.710 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070158252 837628474 /nfs/dbraw/zinc/62/84/74/837628474.db2.gz CGFYIJLMNXRUCO-ILXRZTDVSA-N 2 2 361.475 0.371 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070158252 837628476 /nfs/dbraw/zinc/62/84/76/837628476.db2.gz CGFYIJLMNXRUCO-ILXRZTDVSA-N 2 2 361.475 0.371 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001071061069 837721854 /nfs/dbraw/zinc/72/18/54/837721854.db2.gz MGRYJLPEMWDHDJ-XCRHUMRWSA-N 2 2 350.463 0.709 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001071061069 837721864 /nfs/dbraw/zinc/72/18/64/837721864.db2.gz MGRYJLPEMWDHDJ-XCRHUMRWSA-N 2 2 350.463 0.709 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H](C)O)CC1 ZINC001071100947 837733723 /nfs/dbraw/zinc/73/37/23/837733723.db2.gz IVIVXJIJHOWDKP-DWQUBVKVSA-N 2 2 350.463 0.627 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCC(F)(F)F)CCCO2)O1 ZINC001073660281 837782268 /nfs/dbraw/zinc/78/22/68/837782268.db2.gz AABLSKSCQKNKCG-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCC(F)(F)F)CCCO2)O1 ZINC001073660281 837782274 /nfs/dbraw/zinc/78/22/74/837782274.db2.gz AABLSKSCQKNKCG-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCC(F)(F)F)CCCO2)O1 ZINC001073660281 837782279 /nfs/dbraw/zinc/78/22/79/837782279.db2.gz AABLSKSCQKNKCG-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCC(F)(F)F)CCCO2)O1 ZINC001073660281 837782284 /nfs/dbraw/zinc/78/22/84/837782284.db2.gz AABLSKSCQKNKCG-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CCn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)nn1 ZINC001074711060 837826998 /nfs/dbraw/zinc/82/69/98/837826998.db2.gz OSROKTIYPWCGDB-BFJAYTPKSA-N 2 2 350.467 0.096 20 0 FCADLP CCn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)nn1 ZINC001074711060 837827006 /nfs/dbraw/zinc/82/70/06/837827006.db2.gz OSROKTIYPWCGDB-BFJAYTPKSA-N 2 2 350.467 0.096 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001099337309 844031133 /nfs/dbraw/zinc/03/11/33/844031133.db2.gz PMLLCNRFUXUPOS-JFGNBEQYSA-N 2 2 359.352 0.128 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC001100686258 844055069 /nfs/dbraw/zinc/05/50/69/844055069.db2.gz BHLIIJIYGVZOFB-NEXFUWMNSA-N 2 2 368.503 0.443 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001101213886 844107605 /nfs/dbraw/zinc/10/76/05/844107605.db2.gz CCNPLBPYBUILDC-PBHICJAKSA-N 2 2 368.503 0.557 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001101213886 844107614 /nfs/dbraw/zinc/10/76/14/844107614.db2.gz CCNPLBPYBUILDC-PBHICJAKSA-N 2 2 368.503 0.557 20 0 FCADLP C[N@H+](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000068506744 835996438 /nfs/dbraw/zinc/99/64/38/835996438.db2.gz KPLFVEDDYKPNSU-UHFFFAOYSA-N 2 2 367.515 0.744 20 0 FCADLP C[N@@H+](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000068506744 835996448 /nfs/dbraw/zinc/99/64/48/835996448.db2.gz KPLFVEDDYKPNSU-UHFFFAOYSA-N 2 2 367.515 0.744 20 0 FCADLP CS(=O)(=O)N1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702573186 836099559 /nfs/dbraw/zinc/09/95/59/836099559.db2.gz KUGFQXWRAJIEHP-IRXDYDNUSA-N 2 2 353.488 0.247 20 0 FCADLP CS(=O)(=O)N1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702573186 836099571 /nfs/dbraw/zinc/09/95/71/836099571.db2.gz KUGFQXWRAJIEHP-IRXDYDNUSA-N 2 2 353.488 0.247 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000745898712 836156064 /nfs/dbraw/zinc/15/60/64/836156064.db2.gz YNRLBKZWIISGSS-UHFFFAOYSA-N 2 2 350.529 0.335 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101300274 844139135 /nfs/dbraw/zinc/13/91/35/844139135.db2.gz QLSXHLSVIFFRKM-WBVHZDCISA-N 2 2 368.503 0.407 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101300274 844139145 /nfs/dbraw/zinc/13/91/45/844139145.db2.gz QLSXHLSVIFFRKM-WBVHZDCISA-N 2 2 368.503 0.407 20 0 FCADLP CCCN1C(=O)C(=O)N(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000747472181 836245370 /nfs/dbraw/zinc/24/53/70/836245370.db2.gz ZXQOUHMUXNHUTP-AWEZNQCLSA-N 2 2 354.451 0.577 20 0 FCADLP CCCN1C(=O)C(=O)N(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000747472181 836245381 /nfs/dbraw/zinc/24/53/81/836245381.db2.gz ZXQOUHMUXNHUTP-AWEZNQCLSA-N 2 2 354.451 0.577 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101488058 844207207 /nfs/dbraw/zinc/20/72/07/844207207.db2.gz JWMKOBWTMPGBNV-INMHGKMJSA-N 2 2 368.503 0.344 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101488058 844207216 /nfs/dbraw/zinc/20/72/16/844207216.db2.gz JWMKOBWTMPGBNV-INMHGKMJSA-N 2 2 368.503 0.344 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC001076365811 837990714 /nfs/dbraw/zinc/99/07/14/837990714.db2.gz NYSPFWNUEWOZDD-GOEBONIOSA-N 2 2 350.488 0.898 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC001076365811 837990718 /nfs/dbraw/zinc/99/07/18/837990718.db2.gz NYSPFWNUEWOZDD-GOEBONIOSA-N 2 2 350.488 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076501780 838007030 /nfs/dbraw/zinc/00/70/30/838007030.db2.gz CQTJLTVRZWMSIA-IJEWVQPXSA-N 2 2 366.487 0.228 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076501780 838007040 /nfs/dbraw/zinc/00/70/40/838007040.db2.gz CQTJLTVRZWMSIA-IJEWVQPXSA-N 2 2 366.487 0.228 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076571559 838019411 /nfs/dbraw/zinc/01/94/11/838019411.db2.gz OGUAZJSETRFIJI-HRCADAONSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076571559 838019421 /nfs/dbraw/zinc/01/94/21/838019421.db2.gz OGUAZJSETRFIJI-HRCADAONSA-N 2 2 366.487 0.159 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834122 838127824 /nfs/dbraw/zinc/12/78/24/838127824.db2.gz FMXIYWRYSLKHLD-ZACQAIPSSA-N 2 2 351.422 0.148 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834122 838127829 /nfs/dbraw/zinc/12/78/29/838127829.db2.gz FMXIYWRYSLKHLD-ZACQAIPSSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834122 838127835 /nfs/dbraw/zinc/12/78/35/838127835.db2.gz FMXIYWRYSLKHLD-ZACQAIPSSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834122 838127844 /nfs/dbraw/zinc/12/78/44/838127844.db2.gz FMXIYWRYSLKHLD-ZACQAIPSSA-N 2 2 351.422 0.148 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)s1 ZINC001076985907 838194203 /nfs/dbraw/zinc/19/42/03/838194203.db2.gz CNQSNQCATZFODH-OWCLPIDISA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)s1 ZINC001076985907 838194217 /nfs/dbraw/zinc/19/42/17/838194217.db2.gz CNQSNQCATZFODH-OWCLPIDISA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)s1 ZINC001076985907 838194221 /nfs/dbraw/zinc/19/42/21/838194221.db2.gz CNQSNQCATZFODH-OWCLPIDISA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)s1 ZINC001076985907 838194228 /nfs/dbraw/zinc/19/42/28/838194228.db2.gz CNQSNQCATZFODH-OWCLPIDISA-N 2 2 352.504 0.986 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001077023756 838222319 /nfs/dbraw/zinc/22/23/19/838222319.db2.gz RAJORCXVKLWCPB-KBUPBQIOSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001077023756 838222332 /nfs/dbraw/zinc/22/23/32/838222332.db2.gz RAJORCXVKLWCPB-KBUPBQIOSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001077023756 838222344 /nfs/dbraw/zinc/22/23/44/838222344.db2.gz RAJORCXVKLWCPB-KBUPBQIOSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001077023756 838222351 /nfs/dbraw/zinc/22/23/51/838222351.db2.gz RAJORCXVKLWCPB-KBUPBQIOSA-N 2 2 350.463 0.547 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077258941 838856391 /nfs/dbraw/zinc/85/63/91/838856391.db2.gz CSSAZTKLHSVPHW-NUEKZKHPSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077258941 838856402 /nfs/dbraw/zinc/85/64/02/838856402.db2.gz CSSAZTKLHSVPHW-NUEKZKHPSA-N 2 2 360.483 0.911 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553732 839030434 /nfs/dbraw/zinc/03/04/34/839030434.db2.gz QBAVCADBRKEBAF-FVQBIDKESA-N 2 2 352.504 0.926 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553732 839030446 /nfs/dbraw/zinc/03/04/46/839030446.db2.gz QBAVCADBRKEBAF-FVQBIDKESA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553732 839030457 /nfs/dbraw/zinc/03/04/57/839030457.db2.gz QBAVCADBRKEBAF-FVQBIDKESA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553732 839030467 /nfs/dbraw/zinc/03/04/67/839030467.db2.gz QBAVCADBRKEBAF-FVQBIDKESA-N 2 2 352.504 0.926 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077565323 839038844 /nfs/dbraw/zinc/03/88/44/839038844.db2.gz CVJCEPXPODNPBP-HYEYJGRESA-N 2 2 350.463 0.683 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077565323 839038857 /nfs/dbraw/zinc/03/88/57/839038857.db2.gz CVJCEPXPODNPBP-HYEYJGRESA-N 2 2 350.463 0.683 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077565323 839038864 /nfs/dbraw/zinc/03/88/64/839038864.db2.gz CVJCEPXPODNPBP-HYEYJGRESA-N 2 2 350.463 0.683 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077565323 839038879 /nfs/dbraw/zinc/03/88/79/839038879.db2.gz CVJCEPXPODNPBP-HYEYJGRESA-N 2 2 350.463 0.683 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077765649 839143742 /nfs/dbraw/zinc/14/37/42/839143742.db2.gz XJCUXYNXDXMURF-HUUCEWRRSA-N 2 2 363.487 0.867 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077765649 839143749 /nfs/dbraw/zinc/14/37/49/839143749.db2.gz XJCUXYNXDXMURF-HUUCEWRRSA-N 2 2 363.487 0.867 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cs1 ZINC001077888286 839208749 /nfs/dbraw/zinc/20/87/49/839208749.db2.gz BBTKRCARJYNQJQ-IAGOWNOFSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cs1 ZINC001077888286 839208759 /nfs/dbraw/zinc/20/87/59/839208759.db2.gz BBTKRCARJYNQJQ-IAGOWNOFSA-N 2 2 366.531 0.887 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209509 839405020 /nfs/dbraw/zinc/40/50/20/839405020.db2.gz HXTMGWYNTDIUKT-BRWVUGGUSA-N 2 2 367.515 0.563 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209509 839405024 /nfs/dbraw/zinc/40/50/24/839405024.db2.gz HXTMGWYNTDIUKT-BRWVUGGUSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209509 839405033 /nfs/dbraw/zinc/40/50/33/839405033.db2.gz HXTMGWYNTDIUKT-BRWVUGGUSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209509 839405039 /nfs/dbraw/zinc/40/50/39/839405039.db2.gz HXTMGWYNTDIUKT-BRWVUGGUSA-N 2 2 367.515 0.563 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405783 839458442 /nfs/dbraw/zinc/45/84/42/839458442.db2.gz YHMIBKYRTIXQER-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078405783 839458445 /nfs/dbraw/zinc/45/84/45/839458445.db2.gz YHMIBKYRTIXQER-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203845 844443951 /nfs/dbraw/zinc/44/39/51/844443951.db2.gz IXJAIZLCSOUZNH-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203845 844443954 /nfs/dbraw/zinc/44/39/54/844443954.db2.gz IXJAIZLCSOUZNH-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001080704662 839780371 /nfs/dbraw/zinc/78/03/71/839780371.db2.gz DTTWQHLBSQDEKO-GDBMZVCRSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001080704662 839780380 /nfs/dbraw/zinc/78/03/80/839780380.db2.gz DTTWQHLBSQDEKO-GDBMZVCRSA-N 2 2 359.536 0.588 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942989 839839135 /nfs/dbraw/zinc/83/91/35/839839135.db2.gz JWGWTVJOXAYFQC-UKRRQHHQSA-N 2 2 352.504 0.751 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942989 839839150 /nfs/dbraw/zinc/83/91/50/839839150.db2.gz JWGWTVJOXAYFQC-UKRRQHHQSA-N 2 2 352.504 0.751 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001080948034 839839259 /nfs/dbraw/zinc/83/92/59/839839259.db2.gz YXCOZEZSSIIZMO-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001080948034 839839266 /nfs/dbraw/zinc/83/92/66/839839266.db2.gz YXCOZEZSSIIZMO-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481318 839940822 /nfs/dbraw/zinc/94/08/22/839940822.db2.gz DMKCHZHUQDQZAU-KFWWJZLASA-N 2 2 368.503 0.140 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481318 839940829 /nfs/dbraw/zinc/94/08/29/839940829.db2.gz DMKCHZHUQDQZAU-KFWWJZLASA-N 2 2 368.503 0.140 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481318 839940835 /nfs/dbraw/zinc/94/08/35/839940835.db2.gz DMKCHZHUQDQZAU-KFWWJZLASA-N 2 2 368.503 0.140 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481318 839940840 /nfs/dbraw/zinc/94/08/40/839940840.db2.gz DMKCHZHUQDQZAU-KFWWJZLASA-N 2 2 368.503 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407732 844488325 /nfs/dbraw/zinc/48/83/25/844488325.db2.gz JSHHGLXGPZNCNY-INMHGKMJSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407732 844488329 /nfs/dbraw/zinc/48/83/29/844488329.db2.gz JSHHGLXGPZNCNY-INMHGKMJSA-N 2 2 350.463 0.832 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291281 840280253 /nfs/dbraw/zinc/28/02/53/840280253.db2.gz KISJCICRYXBEFG-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291281 840280265 /nfs/dbraw/zinc/28/02/65/840280265.db2.gz KISJCICRYXBEFG-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082458266 840420428 /nfs/dbraw/zinc/42/04/28/840420428.db2.gz FDKMVHQIAOPSRV-JHJVBQTASA-N 2 2 355.870 0.341 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082458266 840420432 /nfs/dbraw/zinc/42/04/32/840420432.db2.gz FDKMVHQIAOPSRV-JHJVBQTASA-N 2 2 355.870 0.341 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459044 840422257 /nfs/dbraw/zinc/42/22/57/840422257.db2.gz IZZLTTIEDBUYSH-MRVWCRGKSA-N 2 2 354.476 0.419 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459044 840422261 /nfs/dbraw/zinc/42/22/61/840422261.db2.gz IZZLTTIEDBUYSH-MRVWCRGKSA-N 2 2 354.476 0.419 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082549560 840458780 /nfs/dbraw/zinc/45/87/80/840458780.db2.gz JKQDFGIQBLRKJM-VNHYZAJKSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082549560 840458784 /nfs/dbraw/zinc/45/87/84/840458784.db2.gz JKQDFGIQBLRKJM-VNHYZAJKSA-N 2 2 354.476 0.214 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001082559740 840464924 /nfs/dbraw/zinc/46/49/24/840464924.db2.gz NYAOXEHFFQXIKF-AXAPSJFSSA-N 2 2 351.451 0.493 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082559436 840465554 /nfs/dbraw/zinc/46/55/54/840465554.db2.gz FLQFCACNZPSKPO-KYOSRNDESA-N 2 2 350.467 0.412 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1)[NH+](C)C ZINC001082575064 840472476 /nfs/dbraw/zinc/47/24/76/840472476.db2.gz JEXJIWKUIPVADM-NFAWXSAZSA-N 2 2 352.483 0.658 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082575137 840473143 /nfs/dbraw/zinc/47/31/43/840473143.db2.gz NBQVXCBEESJTSO-IOASZLSFSA-N 2 2 353.467 0.739 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001082703059 840530132 /nfs/dbraw/zinc/53/01/32/840530132.db2.gz VZYZEHNEKYGJJT-YUELXQCFSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001082703059 840530138 /nfs/dbraw/zinc/53/01/38/840530138.db2.gz VZYZEHNEKYGJJT-YUELXQCFSA-N 2 2 353.492 0.584 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807518 840569326 /nfs/dbraw/zinc/56/93/26/840569326.db2.gz MWKDUGPGGXCIBW-UKRRQHHQSA-N 2 2 368.503 0.811 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082823435 840574997 /nfs/dbraw/zinc/57/49/97/840574997.db2.gz MDMGJZZASWGSPB-MGPQQGTHSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082892698 840594574 /nfs/dbraw/zinc/59/45/74/840594574.db2.gz QBXOQPQLHVWIPN-IIAWOOMASA-N 2 2 368.503 0.224 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)s1 ZINC001082921018 840602400 /nfs/dbraw/zinc/60/24/00/840602400.db2.gz QQZYGKJLYPBOOB-FRRDWIJNSA-N 2 2 353.492 0.825 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)s1 ZINC001082921018 840602406 /nfs/dbraw/zinc/60/24/06/840602406.db2.gz QQZYGKJLYPBOOB-FRRDWIJNSA-N 2 2 353.492 0.825 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001082921934 840603284 /nfs/dbraw/zinc/60/32/84/840603284.db2.gz XKEVETOCJJLLGQ-HZSPNIEDSA-N 2 2 351.451 0.809 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001082923440 840603978 /nfs/dbraw/zinc/60/39/78/840603978.db2.gz KGBOPYKMRWHILV-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)c(C)o3)C2)C1 ZINC001082933639 840613301 /nfs/dbraw/zinc/61/33/01/840613301.db2.gz CDJYWIVNQDNUIF-DAXOMENPSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)c(C)o3)C2)C1 ZINC001082933639 840613307 /nfs/dbraw/zinc/61/33/07/840613307.db2.gz CDJYWIVNQDNUIF-DAXOMENPSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)oc3C)C2)C1 ZINC001082934637 840614612 /nfs/dbraw/zinc/61/46/12/840614612.db2.gz SDDCIJOJQJIEFX-JLZZUVOBSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)oc3C)C2)C1 ZINC001082934637 840614617 /nfs/dbraw/zinc/61/46/17/840614617.db2.gz SDDCIJOJQJIEFX-JLZZUVOBSA-N 2 2 350.463 0.949 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001083023718 840660369 /nfs/dbraw/zinc/66/03/69/840660369.db2.gz MWYMUSPUEARYRH-HRCADAONSA-N 2 2 350.488 0.691 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001083023718 840660372 /nfs/dbraw/zinc/66/03/72/840660372.db2.gz MWYMUSPUEARYRH-HRCADAONSA-N 2 2 350.488 0.691 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001083023718 840660376 /nfs/dbraw/zinc/66/03/76/840660376.db2.gz MWYMUSPUEARYRH-HRCADAONSA-N 2 2 350.488 0.691 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001083023718 840660381 /nfs/dbraw/zinc/66/03/81/840660381.db2.gz MWYMUSPUEARYRH-HRCADAONSA-N 2 2 350.488 0.691 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035502 840667203 /nfs/dbraw/zinc/66/72/03/840667203.db2.gz SRQHTQZMUZYFKY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035502 840667209 /nfs/dbraw/zinc/66/72/09/840667209.db2.gz SRQHTQZMUZYFKY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035502 840667215 /nfs/dbraw/zinc/66/72/15/840667215.db2.gz SRQHTQZMUZYFKY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCCC4)C[C@@H]32)C1 ZINC001083035502 840667221 /nfs/dbraw/zinc/66/72/21/840667221.db2.gz SRQHTQZMUZYFKY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001102580604 844574963 /nfs/dbraw/zinc/57/49/63/844574963.db2.gz DGVCCRVPNVYIGD-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001102580604 844574970 /nfs/dbraw/zinc/57/49/70/844574970.db2.gz DGVCCRVPNVYIGD-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290446 840873612 /nfs/dbraw/zinc/87/36/12/840873612.db2.gz AEOHJQQBWHJTGL-LSDHHAIUSA-N 2 2 361.471 0.802 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290446 840873615 /nfs/dbraw/zinc/87/36/15/840873615.db2.gz AEOHJQQBWHJTGL-LSDHHAIUSA-N 2 2 361.471 0.802 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596210 844587209 /nfs/dbraw/zinc/58/72/09/844587209.db2.gz TYMJQVCVURCTEJ-UKRRQHHQSA-N 2 2 364.515 0.536 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596210 844587215 /nfs/dbraw/zinc/58/72/15/844587215.db2.gz TYMJQVCVURCTEJ-UKRRQHHQSA-N 2 2 364.515 0.536 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596210 844587222 /nfs/dbraw/zinc/58/72/22/844587222.db2.gz TYMJQVCVURCTEJ-UKRRQHHQSA-N 2 2 364.515 0.536 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596210 844587228 /nfs/dbraw/zinc/58/72/28/844587228.db2.gz TYMJQVCVURCTEJ-UKRRQHHQSA-N 2 2 364.515 0.536 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385512 840956113 /nfs/dbraw/zinc/95/61/13/840956113.db2.gz QEXXBXTUWVHDEU-IKGGRYGDSA-N 2 2 367.877 0.374 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385512 840956118 /nfs/dbraw/zinc/95/61/18/840956118.db2.gz QEXXBXTUWVHDEU-IKGGRYGDSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385512 840956126 /nfs/dbraw/zinc/95/61/26/840956126.db2.gz QEXXBXTUWVHDEU-IKGGRYGDSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083385512 840956131 /nfs/dbraw/zinc/95/61/31/840956131.db2.gz QEXXBXTUWVHDEU-IKGGRYGDSA-N 2 2 367.877 0.374 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456067 841022581 /nfs/dbraw/zinc/02/25/81/841022581.db2.gz FSEYQPFWUAAUMQ-KFWWJZLASA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083456067 841022585 /nfs/dbraw/zinc/02/25/85/841022585.db2.gz FSEYQPFWUAAUMQ-KFWWJZLASA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456067 841022590 /nfs/dbraw/zinc/02/25/90/841022590.db2.gz FSEYQPFWUAAUMQ-KFWWJZLASA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456067 841022595 /nfs/dbraw/zinc/02/25/95/841022595.db2.gz FSEYQPFWUAAUMQ-KFWWJZLASA-N 2 2 352.504 0.986 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083468119 841040562 /nfs/dbraw/zinc/04/05/62/841040562.db2.gz IVYRKYACDSQYTD-FPCVCCKLSA-N 2 2 350.438 0.675 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083468119 841040569 /nfs/dbraw/zinc/04/05/69/841040569.db2.gz IVYRKYACDSQYTD-FPCVCCKLSA-N 2 2 350.438 0.675 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505327 841091081 /nfs/dbraw/zinc/09/10/81/841091081.db2.gz IYGIECHMELJNGJ-PMPSAXMXSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505327 841091092 /nfs/dbraw/zinc/09/10/92/841091092.db2.gz IYGIECHMELJNGJ-PMPSAXMXSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505327 841091102 /nfs/dbraw/zinc/09/11/02/841091102.db2.gz IYGIECHMELJNGJ-PMPSAXMXSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505327 841091112 /nfs/dbraw/zinc/09/11/12/841091112.db2.gz IYGIECHMELJNGJ-PMPSAXMXSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505204 841091933 /nfs/dbraw/zinc/09/19/33/841091933.db2.gz DEESMHNDKIXYAY-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505204 841091945 /nfs/dbraw/zinc/09/19/45/841091945.db2.gz DEESMHNDKIXYAY-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505204 841091955 /nfs/dbraw/zinc/09/19/55/841091955.db2.gz DEESMHNDKIXYAY-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505204 841091966 /nfs/dbraw/zinc/09/19/66/841091966.db2.gz DEESMHNDKIXYAY-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)s1 ZINC001083573390 841187200 /nfs/dbraw/zinc/18/72/00/841187200.db2.gz HLGZUQQGOQFJLI-KFWWJZLASA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)s1 ZINC001083573390 841187204 /nfs/dbraw/zinc/18/72/04/841187204.db2.gz HLGZUQQGOQFJLI-KFWWJZLASA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)s1 ZINC001083573390 841187210 /nfs/dbraw/zinc/18/72/10/841187210.db2.gz HLGZUQQGOQFJLI-KFWWJZLASA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)s1 ZINC001083573390 841187215 /nfs/dbraw/zinc/18/72/15/841187215.db2.gz HLGZUQQGOQFJLI-KFWWJZLASA-N 2 2 352.504 0.906 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573696 841187590 /nfs/dbraw/zinc/18/75/90/841187590.db2.gz RSEGXNIWMHDJQS-IKGGRYGDSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573696 841187606 /nfs/dbraw/zinc/18/76/06/841187606.db2.gz RSEGXNIWMHDJQS-IKGGRYGDSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573696 841187611 /nfs/dbraw/zinc/18/76/11/841187611.db2.gz RSEGXNIWMHDJQS-IKGGRYGDSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573696 841187616 /nfs/dbraw/zinc/18/76/16/841187616.db2.gz RSEGXNIWMHDJQS-IKGGRYGDSA-N 2 2 350.463 0.691 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083733351 841377094 /nfs/dbraw/zinc/37/70/94/841377094.db2.gz KKJJDGBXXNZOCH-CVEARBPZSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083733351 841377104 /nfs/dbraw/zinc/37/71/04/841377104.db2.gz KKJJDGBXXNZOCH-CVEARBPZSA-N 2 2 351.447 0.685 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888063 841536201 /nfs/dbraw/zinc/53/62/01/841536201.db2.gz YFBSXLVDZFPREG-CABCVRRESA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888063 841536211 /nfs/dbraw/zinc/53/62/11/841536211.db2.gz YFBSXLVDZFPREG-CABCVRRESA-N 2 2 352.504 0.845 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083953885 841600015 /nfs/dbraw/zinc/60/00/15/841600015.db2.gz AXGKXIICFGZSMR-RTXFEEFZSA-N 2 2 361.273 0.708 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083953885 841600021 /nfs/dbraw/zinc/60/00/21/841600021.db2.gz AXGKXIICFGZSMR-RTXFEEFZSA-N 2 2 361.273 0.708 20 0 FCADLP COc1ccc(Cl)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053658 841667852 /nfs/dbraw/zinc/66/78/52/841667852.db2.gz GHCJMQBTAOMYAJ-JLZZUVOBSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053658 841667857 /nfs/dbraw/zinc/66/78/57/841667857.db2.gz GHCJMQBTAOMYAJ-JLZZUVOBSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053658 841667862 /nfs/dbraw/zinc/66/78/62/841667862.db2.gz GHCJMQBTAOMYAJ-JLZZUVOBSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053658 841667868 /nfs/dbraw/zinc/66/78/68/841667868.db2.gz GHCJMQBTAOMYAJ-JLZZUVOBSA-N 2 2 367.877 0.962 20 0 FCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)[C@@H]2C1 ZINC001084694515 841885040 /nfs/dbraw/zinc/88/50/40/841885040.db2.gz HWMGYUWHDAVQAF-GVDBMIGSSA-N 2 2 351.491 0.545 20 0 FCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)[C@@H]2C1 ZINC001084694515 841885044 /nfs/dbraw/zinc/88/50/44/841885044.db2.gz HWMGYUWHDAVQAF-GVDBMIGSSA-N 2 2 351.491 0.545 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001084775811 841914066 /nfs/dbraw/zinc/91/40/66/841914066.db2.gz VIACAJZTERKSLM-YUELXQCFSA-N 2 2 354.401 0.920 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001084775811 841914073 /nfs/dbraw/zinc/91/40/73/841914073.db2.gz VIACAJZTERKSLM-YUELXQCFSA-N 2 2 354.401 0.920 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853522 841935576 /nfs/dbraw/zinc/93/55/76/841935576.db2.gz XHCUBLZGFIZQBK-JFIYKMOQSA-N 2 2 350.507 0.776 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853522 841935579 /nfs/dbraw/zinc/93/55/79/841935579.db2.gz XHCUBLZGFIZQBK-JFIYKMOQSA-N 2 2 350.507 0.776 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853523 841935624 /nfs/dbraw/zinc/93/56/24/841935624.db2.gz XHCUBLZGFIZQBK-NUJGCVRESA-N 2 2 350.507 0.776 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853523 841935627 /nfs/dbraw/zinc/93/56/27/841935627.db2.gz XHCUBLZGFIZQBK-NUJGCVRESA-N 2 2 350.507 0.776 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159470 842031749 /nfs/dbraw/zinc/03/17/49/842031749.db2.gz VVHVPEHBHAEQHD-RBSFLKMASA-N 2 2 368.503 0.999 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159470 842031759 /nfs/dbraw/zinc/03/17/59/842031759.db2.gz VVHVPEHBHAEQHD-RBSFLKMASA-N 2 2 368.503 0.999 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159469 842031823 /nfs/dbraw/zinc/03/18/23/842031823.db2.gz VVHVPEHBHAEQHD-KFWWJZLASA-N 2 2 368.503 0.999 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159469 842031838 /nfs/dbraw/zinc/03/18/38/842031838.db2.gz VVHVPEHBHAEQHD-KFWWJZLASA-N 2 2 368.503 0.999 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001085375085 842089875 /nfs/dbraw/zinc/08/98/75/842089875.db2.gz YVXNPFZZHDNYNC-RBSFLKMASA-N 2 2 368.503 0.794 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nonc2C)C1 ZINC001085429429 842103012 /nfs/dbraw/zinc/10/30/12/842103012.db2.gz RQSDXGQFSKBOBQ-FMKPAKJESA-N 2 2 351.451 0.616 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nonc2C)C1 ZINC001085429429 842103014 /nfs/dbraw/zinc/10/30/14/842103014.db2.gz RQSDXGQFSKBOBQ-FMKPAKJESA-N 2 2 351.451 0.616 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085438868 842105432 /nfs/dbraw/zinc/10/54/32/842105432.db2.gz SCTBDFINCTZYFJ-RRFJBIMHSA-N 2 2 354.476 0.335 20 0 FCADLP CCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400616 842130441 /nfs/dbraw/zinc/13/04/41/842130441.db2.gz OVLODMXSQHHXGY-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400616 842130445 /nfs/dbraw/zinc/13/04/45/842130445.db2.gz OVLODMXSQHHXGY-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)O1 ZINC001086731567 842161134 /nfs/dbraw/zinc/16/11/34/842161134.db2.gz QQNLGXHLPNRLQU-XJFOESAGSA-N 2 2 353.492 0.632 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)O1 ZINC001086731567 842161142 /nfs/dbraw/zinc/16/11/42/842161142.db2.gz QQNLGXHLPNRLQU-XJFOESAGSA-N 2 2 353.492 0.632 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nonc3C)C2)C1 ZINC001086880499 842189340 /nfs/dbraw/zinc/18/93/40/842189340.db2.gz CGPZPXCRVOEOSG-LZWOXQAQSA-N 2 2 351.451 0.473 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nonc3C)C2)C1 ZINC001086880499 842189345 /nfs/dbraw/zinc/18/93/45/842189345.db2.gz CGPZPXCRVOEOSG-LZWOXQAQSA-N 2 2 351.451 0.473 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccnc(F)c1)C2 ZINC001275986268 861282930 /nfs/dbraw/zinc/28/29/30/861282930.db2.gz KGNFMSINOLHTNW-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccnc(F)c1)C2 ZINC001275986268 861282944 /nfs/dbraw/zinc/28/29/44/861282944.db2.gz KGNFMSINOLHTNW-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1OCC ZINC001087069997 842264155 /nfs/dbraw/zinc/26/41/55/842264155.db2.gz YNYONPJBNLAFEC-FGTMMUONSA-N 2 2 353.507 0.960 20 0 FCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1OCC ZINC001087069997 842264166 /nfs/dbraw/zinc/26/41/66/842264166.db2.gz YNYONPJBNLAFEC-FGTMMUONSA-N 2 2 353.507 0.960 20 0 FCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1OCC ZINC001087069998 842264188 /nfs/dbraw/zinc/26/41/88/842264188.db2.gz YNYONPJBNLAFEC-KZNAEPCWSA-N 2 2 353.507 0.960 20 0 FCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1OCC ZINC001087069998 842264200 /nfs/dbraw/zinc/26/42/00/842264200.db2.gz YNYONPJBNLAFEC-KZNAEPCWSA-N 2 2 353.507 0.960 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087070762 842265252 /nfs/dbraw/zinc/26/52/52/842265252.db2.gz HWXJNJKEVKQSKP-UKRRQHHQSA-N 2 2 364.475 0.778 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087098608 842287651 /nfs/dbraw/zinc/28/76/51/842287651.db2.gz CWCSUQXIICUZJZ-IUODEOHRSA-N 2 2 364.475 0.765 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725197 842416057 /nfs/dbraw/zinc/41/60/57/842416057.db2.gz GGVSRKLRCSWNMJ-HZSPNIEDSA-N 2 2 350.467 0.062 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725197 842416061 /nfs/dbraw/zinc/41/60/61/842416061.db2.gz GGVSRKLRCSWNMJ-HZSPNIEDSA-N 2 2 350.467 0.062 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725197 842416065 /nfs/dbraw/zinc/41/60/65/842416065.db2.gz GGVSRKLRCSWNMJ-HZSPNIEDSA-N 2 2 350.467 0.062 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725197 842416071 /nfs/dbraw/zinc/41/60/71/842416071.db2.gz GGVSRKLRCSWNMJ-HZSPNIEDSA-N 2 2 350.467 0.062 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920465 842471634 /nfs/dbraw/zinc/47/16/34/842471634.db2.gz PYOMWUVQPYWIDP-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920465 842471642 /nfs/dbraw/zinc/47/16/42/842471642.db2.gz PYOMWUVQPYWIDP-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920465 842471646 /nfs/dbraw/zinc/47/16/46/842471646.db2.gz PYOMWUVQPYWIDP-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920465 842471652 /nfs/dbraw/zinc/47/16/52/842471652.db2.gz PYOMWUVQPYWIDP-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087982440 842489698 /nfs/dbraw/zinc/48/96/98/842489698.db2.gz GWQIESMDAPOTIG-OCCSQVGLSA-N 2 2 350.488 0.689 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087982440 842489708 /nfs/dbraw/zinc/48/97/08/842489708.db2.gz GWQIESMDAPOTIG-OCCSQVGLSA-N 2 2 350.488 0.689 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnns4)CC[C@@H]3C2)O1 ZINC001088011677 842499713 /nfs/dbraw/zinc/49/97/13/842499713.db2.gz YIGUVGWSGFYFRK-HGTKMLMNSA-N 2 2 365.503 0.538 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnns4)CC[C@@H]3C2)O1 ZINC001088011677 842499721 /nfs/dbraw/zinc/49/97/21/842499721.db2.gz YIGUVGWSGFYFRK-HGTKMLMNSA-N 2 2 365.503 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnns4)CC[C@@H]3C2)O1 ZINC001088011677 842499731 /nfs/dbraw/zinc/49/97/31/842499731.db2.gz YIGUVGWSGFYFRK-HGTKMLMNSA-N 2 2 365.503 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnns4)CC[C@@H]3C2)O1 ZINC001088011677 842499740 /nfs/dbraw/zinc/49/97/40/842499740.db2.gz YIGUVGWSGFYFRK-HGTKMLMNSA-N 2 2 365.503 0.538 20 0 FCADLP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506393 842593144 /nfs/dbraw/zinc/59/31/44/842593144.db2.gz SZZDWTODZYMMOV-ILXRZTDVSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506393 842593148 /nfs/dbraw/zinc/59/31/48/842593148.db2.gz SZZDWTODZYMMOV-ILXRZTDVSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506393 842593155 /nfs/dbraw/zinc/59/31/55/842593155.db2.gz SZZDWTODZYMMOV-ILXRZTDVSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506393 842593160 /nfs/dbraw/zinc/59/31/60/842593160.db2.gz SZZDWTODZYMMOV-ILXRZTDVSA-N 2 2 352.504 0.904 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC001088859928 842697855 /nfs/dbraw/zinc/69/78/55/842697855.db2.gz QAZVFWPXZVKGOJ-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC001088859928 842697863 /nfs/dbraw/zinc/69/78/63/842697863.db2.gz QAZVFWPXZVKGOJ-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC001088859928 842697872 /nfs/dbraw/zinc/69/78/72/842697872.db2.gz QAZVFWPXZVKGOJ-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC001088859928 842697877 /nfs/dbraw/zinc/69/78/77/842697877.db2.gz QAZVFWPXZVKGOJ-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052958 842760572 /nfs/dbraw/zinc/76/05/72/842760572.db2.gz FXIGVWYOZONZMF-KBMXLJTQSA-N 2 2 369.897 0.836 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052958 842760580 /nfs/dbraw/zinc/76/05/80/842760580.db2.gz FXIGVWYOZONZMF-KBMXLJTQSA-N 2 2 369.897 0.836 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052958 842760584 /nfs/dbraw/zinc/76/05/84/842760584.db2.gz FXIGVWYOZONZMF-KBMXLJTQSA-N 2 2 369.897 0.836 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052958 842760592 /nfs/dbraw/zinc/76/05/92/842760592.db2.gz FXIGVWYOZONZMF-KBMXLJTQSA-N 2 2 369.897 0.836 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091713163 843080164 /nfs/dbraw/zinc/08/01/64/843080164.db2.gz LSCPCJUUDAPZKM-DYVFJYSZSA-N 2 2 350.488 0.689 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091713163 843080175 /nfs/dbraw/zinc/08/01/75/843080175.db2.gz LSCPCJUUDAPZKM-DYVFJYSZSA-N 2 2 350.488 0.689 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001092049660 843145771 /nfs/dbraw/zinc/14/57/71/843145771.db2.gz FQVSYWQZPVKFJR-CPUCHLNUSA-N 2 2 366.487 0.167 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001092049660 843145774 /nfs/dbraw/zinc/14/57/74/843145774.db2.gz FQVSYWQZPVKFJR-CPUCHLNUSA-N 2 2 366.487 0.167 20 0 FCADLP C[C@]12CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001092063794 843150799 /nfs/dbraw/zinc/15/07/99/843150799.db2.gz SKBKQCZWGCSLTH-AEFFLSMTSA-N 2 2 351.491 0.404 20 0 FCADLP C[C@]12CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092063794 843150806 /nfs/dbraw/zinc/15/08/06/843150806.db2.gz SKBKQCZWGCSLTH-AEFFLSMTSA-N 2 2 351.491 0.404 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092276545 843175411 /nfs/dbraw/zinc/17/54/11/843175411.db2.gz SQDCAFQPALBLFF-ZBFHGGJFSA-N 2 2 354.476 0.016 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001092276545 843175419 /nfs/dbraw/zinc/17/54/19/843175419.db2.gz SQDCAFQPALBLFF-ZBFHGGJFSA-N 2 2 354.476 0.016 20 0 FCADLP CCOC(=O)CC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276318015 861411465 /nfs/dbraw/zinc/41/14/65/861411465.db2.gz RRKUMAXQERDHMH-KRWDZBQOSA-N 2 2 350.419 0.140 20 0 FCADLP CCOC(=O)CC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276318015 861411471 /nfs/dbraw/zinc/41/14/71/861411471.db2.gz RRKUMAXQERDHMH-KRWDZBQOSA-N 2 2 350.419 0.140 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194036 843403875 /nfs/dbraw/zinc/40/38/75/843403875.db2.gz UUFFKKDGANFIFW-QLFBSQMISA-N 2 2 352.458 0.383 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194036 843403877 /nfs/dbraw/zinc/40/38/77/843403877.db2.gz UUFFKKDGANFIFW-QLFBSQMISA-N 2 2 352.458 0.383 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194036 843403880 /nfs/dbraw/zinc/40/38/80/843403880.db2.gz UUFFKKDGANFIFW-QLFBSQMISA-N 2 2 352.458 0.383 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194036 843403883 /nfs/dbraw/zinc/40/38/83/843403883.db2.gz UUFFKKDGANFIFW-QLFBSQMISA-N 2 2 352.458 0.383 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209229 843408168 /nfs/dbraw/zinc/40/81/68/843408168.db2.gz YTAOPPNTKWJANV-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209229 843408177 /nfs/dbraw/zinc/40/81/77/843408177.db2.gz YTAOPPNTKWJANV-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209229 843408186 /nfs/dbraw/zinc/40/81/86/843408186.db2.gz YTAOPPNTKWJANV-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209229 843408198 /nfs/dbraw/zinc/40/81/98/843408198.db2.gz YTAOPPNTKWJANV-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209050 843408672 /nfs/dbraw/zinc/40/86/72/843408672.db2.gz QAPQAOAHAALRRX-MCIONIFRSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209050 843408680 /nfs/dbraw/zinc/40/86/80/843408680.db2.gz QAPQAOAHAALRRX-MCIONIFRSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209050 843408686 /nfs/dbraw/zinc/40/86/86/843408686.db2.gz QAPQAOAHAALRRX-MCIONIFRSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209050 843408690 /nfs/dbraw/zinc/40/86/90/843408690.db2.gz QAPQAOAHAALRRX-MCIONIFRSA-N 2 2 353.492 0.443 20 0 FCADLP CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690476 843456060 /nfs/dbraw/zinc/45/60/60/843456060.db2.gz WHBKUQAKAFUCBT-IIAWOOMASA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690476 843456062 /nfs/dbraw/zinc/45/60/62/843456062.db2.gz WHBKUQAKAFUCBT-IIAWOOMASA-N 2 2 350.463 0.752 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c(C)o1 ZINC001093691443 843457465 /nfs/dbraw/zinc/45/74/65/843457465.db2.gz WFEBAZNANPNTDV-VMGRFDJRSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c(C)o1 ZINC001093691443 843457469 /nfs/dbraw/zinc/45/74/69/843457469.db2.gz WFEBAZNANPNTDV-VMGRFDJRSA-N 2 2 350.463 0.806 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)C1 ZINC001094232164 843537848 /nfs/dbraw/zinc/53/78/48/843537848.db2.gz NKMRNQMQCZPTRG-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)C1 ZINC001094232164 843537851 /nfs/dbraw/zinc/53/78/51/843537851.db2.gz NKMRNQMQCZPTRG-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001094254854 843541615 /nfs/dbraw/zinc/54/16/15/843541615.db2.gz QMSRHHPRSDQLNU-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096238327 843785155 /nfs/dbraw/zinc/78/51/55/843785155.db2.gz UWOYKQVLSFBZPY-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096238327 843785161 /nfs/dbraw/zinc/78/51/61/843785161.db2.gz UWOYKQVLSFBZPY-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001096544152 843800865 /nfs/dbraw/zinc/80/08/65/843800865.db2.gz FOHZSVCZCLEODE-YVSFHVDLSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001096544152 843800878 /nfs/dbraw/zinc/80/08/78/843800878.db2.gz FOHZSVCZCLEODE-YVSFHVDLSA-N 2 2 369.531 0.629 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138363 844707361 /nfs/dbraw/zinc/70/73/61/844707361.db2.gz HBHILXCNZSASFD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138363 844707365 /nfs/dbraw/zinc/70/73/65/844707365.db2.gz HBHILXCNZSASFD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103138363 844707370 /nfs/dbraw/zinc/70/73/70/844707370.db2.gz HBHILXCNZSASFD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103138363 844707376 /nfs/dbraw/zinc/70/73/76/844707376.db2.gz HBHILXCNZSASFD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001103271392 844730013 /nfs/dbraw/zinc/73/00/13/844730013.db2.gz MIPVUFOUNXJVNI-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001103271392 844730016 /nfs/dbraw/zinc/73/00/16/844730016.db2.gz MIPVUFOUNXJVNI-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001103271392 844730019 /nfs/dbraw/zinc/73/00/19/844730019.db2.gz MIPVUFOUNXJVNI-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001103271392 844730021 /nfs/dbraw/zinc/73/00/21/844730021.db2.gz MIPVUFOUNXJVNI-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@]2(C1)CN(C[C@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609123 861495689 /nfs/dbraw/zinc/49/56/89/861495689.db2.gz HDKLEUAJMXSXLL-YJBOKZPZSA-N 2 2 355.479 0.393 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@]2(C1)CN(C[C@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609123 861495693 /nfs/dbraw/zinc/49/56/93/861495693.db2.gz HDKLEUAJMXSXLL-YJBOKZPZSA-N 2 2 355.479 0.393 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537214 844776008 /nfs/dbraw/zinc/77/60/08/844776008.db2.gz ZOMMYSGTVCBZFT-HUUCEWRRSA-N 2 2 351.451 0.366 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537214 844776014 /nfs/dbraw/zinc/77/60/14/844776014.db2.gz ZOMMYSGTVCBZFT-HUUCEWRRSA-N 2 2 351.451 0.366 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677087 844797966 /nfs/dbraw/zinc/79/79/66/844797966.db2.gz KDFUFFCFWCEVLB-GDBMZVCRSA-N 2 2 352.479 0.998 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677087 844797970 /nfs/dbraw/zinc/79/79/70/844797970.db2.gz KDFUFFCFWCEVLB-GDBMZVCRSA-N 2 2 352.479 0.998 20 0 FCADLP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001103742380 844813086 /nfs/dbraw/zinc/81/30/86/844813086.db2.gz DNJUGYCDJVCLAF-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001103742380 844813093 /nfs/dbraw/zinc/81/30/93/844813093.db2.gz DNJUGYCDJVCLAF-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104132801 844867558 /nfs/dbraw/zinc/86/75/58/844867558.db2.gz AKSVRHZDURHODL-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1ccon1 ZINC001104794765 844944833 /nfs/dbraw/zinc/94/48/33/844944833.db2.gz GBUCCPMIAHWDLS-HZPDHXFCSA-N 2 2 350.463 0.971 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104924150 844960444 /nfs/dbraw/zinc/96/04/44/844960444.db2.gz INTWURYORBZKSQ-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673516 845017117 /nfs/dbraw/zinc/01/71/17/845017117.db2.gz MIMVJUWMCDUCLL-AHCXZYCDSA-N 2 2 350.463 0.496 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001106068667 845092553 /nfs/dbraw/zinc/09/25/53/845092553.db2.gz LMDVSNNPHNQLQA-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001106226084 845139578 /nfs/dbraw/zinc/13/95/78/845139578.db2.gz PZXOFUAGFSDFJK-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001106226084 845139582 /nfs/dbraw/zinc/13/95/82/845139582.db2.gz PZXOFUAGFSDFJK-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001106473864 845179736 /nfs/dbraw/zinc/17/97/36/845179736.db2.gz BHSBESGAMDHCHZ-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001106473864 845179739 /nfs/dbraw/zinc/17/97/39/845179739.db2.gz BHSBESGAMDHCHZ-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CCOCCO ZINC001106655399 845215609 /nfs/dbraw/zinc/21/56/09/845215609.db2.gz NISFSJKJGKSMEY-RBSFLKMASA-N 2 2 350.463 0.523 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710285 845230129 /nfs/dbraw/zinc/23/01/29/845230129.db2.gz FBBYSKOCAVLBOK-RBSFLKMASA-N 2 2 371.507 0.068 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748053 845239914 /nfs/dbraw/zinc/23/99/14/845239914.db2.gz GWLUTMCKLNFMMN-BZUAXINKSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748053 845239938 /nfs/dbraw/zinc/23/99/38/845239938.db2.gz GWLUTMCKLNFMMN-BZUAXINKSA-N 2 2 352.479 0.935 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106799095 845255366 /nfs/dbraw/zinc/25/53/66/845255366.db2.gz BFPZEDMAVHZNHY-VXGBXAGGSA-N 2 2 362.459 0.732 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705985 861549658 /nfs/dbraw/zinc/54/96/58/861549658.db2.gz WMMSXNLSMNIGKQ-YOEHRIQHSA-N 2 2 350.419 0.138 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705985 861549667 /nfs/dbraw/zinc/54/96/67/861549667.db2.gz WMMSXNLSMNIGKQ-YOEHRIQHSA-N 2 2 350.419 0.138 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106922964 845286111 /nfs/dbraw/zinc/28/61/11/845286111.db2.gz VFATZLKCRJWSMM-GZBFAFLISA-N 2 2 370.519 0.625 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621468 845408651 /nfs/dbraw/zinc/40/86/51/845408651.db2.gz PKLNGUZCVBDNPV-YXJHDRRASA-N 2 2 350.463 0.629 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621468 845408661 /nfs/dbraw/zinc/40/86/61/845408661.db2.gz PKLNGUZCVBDNPV-YXJHDRRASA-N 2 2 350.463 0.629 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276757075 861585993 /nfs/dbraw/zinc/58/59/93/861585993.db2.gz OCJJZUZJEBTUQI-SFHVURJKSA-N 2 2 353.463 0.541 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276757075 861586007 /nfs/dbraw/zinc/58/60/07/861586007.db2.gz OCJJZUZJEBTUQI-SFHVURJKSA-N 2 2 353.463 0.541 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649928 845704298 /nfs/dbraw/zinc/70/42/98/845704298.db2.gz KIIWTHRBVGDLKD-PMPSAXMXSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649928 845704306 /nfs/dbraw/zinc/70/43/06/845704306.db2.gz KIIWTHRBVGDLKD-PMPSAXMXSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001109688479 845713947 /nfs/dbraw/zinc/71/39/47/845713947.db2.gz RAWAMXRYIMTFRL-FXUDXRNXSA-N 2 2 374.551 0.186 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001109688479 845713955 /nfs/dbraw/zinc/71/39/55/845713955.db2.gz RAWAMXRYIMTFRL-FXUDXRNXSA-N 2 2 374.551 0.186 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001109732881 845723945 /nfs/dbraw/zinc/72/39/45/845723945.db2.gz AGOLZBYNNYURLO-QZWWFDLISA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001109732881 845723953 /nfs/dbraw/zinc/72/39/53/845723953.db2.gz AGOLZBYNNYURLO-QZWWFDLISA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001109865105 845750157 /nfs/dbraw/zinc/75/01/57/845750157.db2.gz HTXJDHGIEJMGCR-PMPSAXMXSA-N 2 2 372.535 0.085 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001109865105 845750165 /nfs/dbraw/zinc/75/01/65/845750165.db2.gz HTXJDHGIEJMGCR-PMPSAXMXSA-N 2 2 372.535 0.085 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110196067 845819185 /nfs/dbraw/zinc/81/91/85/845819185.db2.gz QUYBGCQDBYAJCH-QZWWFDLISA-N 2 2 350.463 0.638 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110196067 845819193 /nfs/dbraw/zinc/81/91/93/845819193.db2.gz QUYBGCQDBYAJCH-QZWWFDLISA-N 2 2 350.463 0.638 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794439 861611808 /nfs/dbraw/zinc/61/18/08/861611808.db2.gz JSSPQFWGCGDPLM-VQIMIIECSA-N 3 2 354.539 0.754 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794439 861611820 /nfs/dbraw/zinc/61/18/20/861611820.db2.gz JSSPQFWGCGDPLM-VQIMIIECSA-N 3 2 354.539 0.754 20 0 FCADLP COC(CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)OC ZINC001276795131 861612180 /nfs/dbraw/zinc/61/21/80/861612180.db2.gz WYYOZKMXUFYUTN-RBSFLKMASA-N 2 2 357.495 0.420 20 0 FCADLP COC(CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)OC ZINC001276795131 861612188 /nfs/dbraw/zinc/61/21/88/861612188.db2.gz WYYOZKMXUFYUTN-RBSFLKMASA-N 2 2 357.495 0.420 20 0 FCADLP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2)S(C)(=O)=O ZINC001110673541 845944588 /nfs/dbraw/zinc/94/45/88/845944588.db2.gz FQSDKMYUARJVRK-OAGGEKHMSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2)S(C)(=O)=O ZINC001110673541 845944593 /nfs/dbraw/zinc/94/45/93/845944593.db2.gz FQSDKMYUARJVRK-OAGGEKHMSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2)S(C)(=O)=O ZINC001110673541 845944599 /nfs/dbraw/zinc/94/45/99/845944599.db2.gz FQSDKMYUARJVRK-OAGGEKHMSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2)S(C)(=O)=O ZINC001110673541 845944603 /nfs/dbraw/zinc/94/46/03/845944603.db2.gz FQSDKMYUARJVRK-OAGGEKHMSA-N 2 2 372.535 0.084 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667757 845945272 /nfs/dbraw/zinc/94/52/72/845945272.db2.gz JGJHWUIHQXTBGV-XLMAVXFVSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667757 845945280 /nfs/dbraw/zinc/94/52/80/845945280.db2.gz JGJHWUIHQXTBGV-XLMAVXFVSA-N 2 2 350.507 0.820 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1)[NH+](C)C ZINC001110715363 845954820 /nfs/dbraw/zinc/95/48/20/845954820.db2.gz VYUMSGKWODDSQC-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1)[NH+](C)C ZINC001110715363 845954826 /nfs/dbraw/zinc/95/48/26/845954826.db2.gz VYUMSGKWODDSQC-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979147 846006891 /nfs/dbraw/zinc/00/68/91/846006891.db2.gz VFEPMFFOROFZOR-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979147 846006894 /nfs/dbraw/zinc/00/68/94/846006894.db2.gz VFEPMFFOROFZOR-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980118 846007489 /nfs/dbraw/zinc/00/74/89/846007489.db2.gz QKIYDKYXUHRCQL-OAGGEKHMSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980118 846007490 /nfs/dbraw/zinc/00/74/90/846007490.db2.gz QKIYDKYXUHRCQL-OAGGEKHMSA-N 2 2 359.536 0.873 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111024903 846016119 /nfs/dbraw/zinc/01/61/19/846016119.db2.gz ADYUHMVVOPHKRU-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111024903 846016127 /nfs/dbraw/zinc/01/61/27/846016127.db2.gz ADYUHMVVOPHKRU-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111024903 846016133 /nfs/dbraw/zinc/01/61/33/846016133.db2.gz ADYUHMVVOPHKRU-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111024903 846016140 /nfs/dbraw/zinc/01/61/40/846016140.db2.gz ADYUHMVVOPHKRU-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](C[C@H](O)C(C)(C)C)C2)OCC1=O ZINC001276824510 861633419 /nfs/dbraw/zinc/63/34/19/861633419.db2.gz OBGJMCIVRJVAFU-MAUKXSAKSA-N 2 2 350.463 0.630 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](C[C@H](O)C(C)(C)C)C2)OCC1=O ZINC001276824510 861633422 /nfs/dbraw/zinc/63/34/22/861633422.db2.gz OBGJMCIVRJVAFU-MAUKXSAKSA-N 2 2 350.463 0.630 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001111169536 846053533 /nfs/dbraw/zinc/05/35/33/846053533.db2.gz XVVNIVGYGWENMI-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001111169536 846053538 /nfs/dbraw/zinc/05/35/38/846053538.db2.gz XVVNIVGYGWENMI-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001111169097 846054043 /nfs/dbraw/zinc/05/40/43/846054043.db2.gz BUFLDNMYWGWZNN-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001111169097 846054048 /nfs/dbraw/zinc/05/40/48/846054048.db2.gz BUFLDNMYWGWZNN-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276825997 861636597 /nfs/dbraw/zinc/63/65/97/861636597.db2.gz AFPWRMXVOKZSEW-AEFFLSMTSA-N 2 2 350.463 0.451 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276825997 861636602 /nfs/dbraw/zinc/63/66/02/861636602.db2.gz AFPWRMXVOKZSEW-AEFFLSMTSA-N 2 2 350.463 0.451 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407187 846099417 /nfs/dbraw/zinc/09/94/17/846099417.db2.gz NWLLTCIATHQDRZ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407187 846099422 /nfs/dbraw/zinc/09/94/22/846099422.db2.gz NWLLTCIATHQDRZ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407187 846099426 /nfs/dbraw/zinc/09/94/26/846099426.db2.gz NWLLTCIATHQDRZ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407187 846099431 /nfs/dbraw/zinc/09/94/31/846099431.db2.gz NWLLTCIATHQDRZ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111466445 846117446 /nfs/dbraw/zinc/11/74/46/846117446.db2.gz VZTDJPFLARPWKL-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111466445 846117449 /nfs/dbraw/zinc/11/74/49/846117449.db2.gz VZTDJPFLARPWKL-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111466445 846117453 /nfs/dbraw/zinc/11/74/53/846117453.db2.gz VZTDJPFLARPWKL-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111466445 846117458 /nfs/dbraw/zinc/11/74/58/846117458.db2.gz VZTDJPFLARPWKL-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111658825 846168889 /nfs/dbraw/zinc/16/88/89/846168889.db2.gz QSLJNEGVQMEFEF-ZOBUZTSGSA-N 2 2 357.520 0.486 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111658825 846168895 /nfs/dbraw/zinc/16/88/95/846168895.db2.gz QSLJNEGVQMEFEF-ZOBUZTSGSA-N 2 2 357.520 0.486 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111658825 846168897 /nfs/dbraw/zinc/16/88/97/846168897.db2.gz QSLJNEGVQMEFEF-ZOBUZTSGSA-N 2 2 357.520 0.486 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111658825 846168901 /nfs/dbraw/zinc/16/89/01/846168901.db2.gz QSLJNEGVQMEFEF-ZOBUZTSGSA-N 2 2 357.520 0.486 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)n1 ZINC001111861696 846234793 /nfs/dbraw/zinc/23/47/93/846234793.db2.gz ZSBFOULBOMXKDP-GUYCJALGSA-N 2 2 351.451 0.638 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)n1 ZINC001111861696 846234802 /nfs/dbraw/zinc/23/48/02/846234802.db2.gz ZSBFOULBOMXKDP-GUYCJALGSA-N 2 2 351.451 0.638 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnns1)C2 ZINC001111939528 846269347 /nfs/dbraw/zinc/26/93/47/846269347.db2.gz FNNFWQLQXGZGHK-BBRMVZONSA-N 2 2 353.492 0.587 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnns1)C2 ZINC001111939528 846269356 /nfs/dbraw/zinc/26/93/56/846269356.db2.gz FNNFWQLQXGZGHK-BBRMVZONSA-N 2 2 353.492 0.587 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955636 846274214 /nfs/dbraw/zinc/27/42/14/846274214.db2.gz RLJLDRXMPOULOY-YJBOKZPZSA-N 2 2 350.463 0.894 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001111955636 846274224 /nfs/dbraw/zinc/27/42/24/846274224.db2.gz RLJLDRXMPOULOY-YJBOKZPZSA-N 2 2 350.463 0.894 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112140984 846412626 /nfs/dbraw/zinc/41/26/26/846412626.db2.gz BPDVFZJKXAQSQW-QJPTWQEYSA-N 2 2 361.368 0.387 20 0 FCADLP C[C@@H]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001117141199 846907654 /nfs/dbraw/zinc/90/76/54/846907654.db2.gz RPXHMHUASJSPMJ-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001117174760 846921127 /nfs/dbraw/zinc/92/11/27/846921127.db2.gz YFHIKBSIMWHGEX-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001118133721 847293237 /nfs/dbraw/zinc/29/32/37/847293237.db2.gz ALUKVDONVOJYQY-VHRNVKJDSA-N 2 2 357.520 0.532 20 0 FCADLP COCCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001118198103 847320985 /nfs/dbraw/zinc/32/09/85/847320985.db2.gz GSKNVSDATWNQCQ-ZIAGYGMSSA-N 2 2 351.451 0.339 20 0 FCADLP COCCc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001118198103 847320996 /nfs/dbraw/zinc/32/09/96/847320996.db2.gz GSKNVSDATWNQCQ-ZIAGYGMSSA-N 2 2 351.451 0.339 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]n1 ZINC001118264344 847353001 /nfs/dbraw/zinc/35/30/01/847353001.db2.gz DALGNSPPUWCAHR-AWEZNQCLSA-N 2 2 351.451 0.083 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001119345638 847816958 /nfs/dbraw/zinc/81/69/58/847816958.db2.gz YORACZWWAAJRRX-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001119345638 847816966 /nfs/dbraw/zinc/81/69/66/847816966.db2.gz YORACZWWAAJRRX-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](CF)C3)C2)CC1 ZINC001119474906 847855826 /nfs/dbraw/zinc/85/58/26/847855826.db2.gz PPXSXOYSIWHLQQ-CABCVRRESA-N 2 2 354.470 0.479 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H](CF)C3)C2)CC1 ZINC001119474906 847855836 /nfs/dbraw/zinc/85/58/36/847855836.db2.gz PPXSXOYSIWHLQQ-CABCVRRESA-N 2 2 354.470 0.479 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])CC1 ZINC001122048123 848440367 /nfs/dbraw/zinc/44/03/67/848440367.db2.gz VFGOAZSMHZESLO-AWEZNQCLSA-N 2 2 351.451 0.098 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001123794849 848639387 /nfs/dbraw/zinc/63/93/87/848639387.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001123794849 848639390 /nfs/dbraw/zinc/63/93/90/848639390.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123794849 848639393 /nfs/dbraw/zinc/63/93/93/848639393.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123794849 848639395 /nfs/dbraw/zinc/63/93/95/848639395.db2.gz OBZPZIOPLIPFPL-JQHSSLGASA-N 2 2 351.539 0.994 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3nnc(N)s3)CC2)CC1 ZINC001123903448 848652907 /nfs/dbraw/zinc/65/29/07/848652907.db2.gz NHNLGAXFAVGRDE-UHFFFAOYSA-N 2 2 352.508 0.681 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3nnc(N)s3)CC2)CC1 ZINC001123903448 848652913 /nfs/dbraw/zinc/65/29/13/848652913.db2.gz NHNLGAXFAVGRDE-UHFFFAOYSA-N 2 2 352.508 0.681 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nn(C)cc2Br)CC[N@@H+]1C ZINC001127639217 848730603 /nfs/dbraw/zinc/73/06/03/848730603.db2.gz WASCCBLQIGBKLS-GHMZBOCLSA-N 2 2 358.284 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nn(C)cc2Br)CC[N@H+]1C ZINC001127639217 848730610 /nfs/dbraw/zinc/73/06/10/848730610.db2.gz WASCCBLQIGBKLS-GHMZBOCLSA-N 2 2 358.284 0.729 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131585148 849127621 /nfs/dbraw/zinc/12/76/21/849127621.db2.gz PJPASTCSVOSJIB-JOQOYGCGSA-N 2 2 350.463 0.973 20 0 FCADLP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131613260 849131366 /nfs/dbraw/zinc/13/13/66/849131366.db2.gz ZILIRBOPNDWKFW-AEFFLSMTSA-N 2 2 350.463 0.905 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131621376 849132049 /nfs/dbraw/zinc/13/20/49/849132049.db2.gz VRFOHFITTYIUGW-LESCRADOSA-N 2 2 350.463 0.904 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001134043144 849170783 /nfs/dbraw/zinc/17/07/83/849170783.db2.gz UVRDBTCLXZJNTD-QJPTWQEYSA-N 2 2 364.368 0.169 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136522981 849226173 /nfs/dbraw/zinc/22/61/73/849226173.db2.gz GDVLHDZDBYELNZ-BDXSIMOUSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136522981 849226176 /nfs/dbraw/zinc/22/61/76/849226176.db2.gz GDVLHDZDBYELNZ-BDXSIMOUSA-N 2 2 353.507 0.933 20 0 FCADLP OC[C@H]1C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761838 849347902 /nfs/dbraw/zinc/34/79/02/849347902.db2.gz ODORDSCZEKXNNJ-MJGOQNOKSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761838 849347907 /nfs/dbraw/zinc/34/79/07/849347907.db2.gz ODORDSCZEKXNNJ-MJGOQNOKSA-N 2 2 350.459 0.573 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)CCC1=O ZINC001141179935 849385388 /nfs/dbraw/zinc/38/53/88/849385388.db2.gz MBLNTNGNZYZUNE-UHFFFAOYSA-N 2 2 368.503 0.654 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)CCC1=O ZINC001141179935 849385397 /nfs/dbraw/zinc/38/53/97/849385397.db2.gz MBLNTNGNZYZUNE-UHFFFAOYSA-N 2 2 368.503 0.654 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cn4c(n3)COCC4)CC[C@@H]2C1 ZINC001141530969 849400842 /nfs/dbraw/zinc/40/08/42/849400842.db2.gz LJXCUINBNFADEG-NVXWUHKLSA-N 2 2 350.463 0.582 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cn4c(n3)COCC4)CC[C@@H]2C1 ZINC001141530969 849400846 /nfs/dbraw/zinc/40/08/46/849400846.db2.gz LJXCUINBNFADEG-NVXWUHKLSA-N 2 2 350.463 0.582 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cn4c(n3)COCC4)CC[C@@H]2C1 ZINC001141530969 849400848 /nfs/dbraw/zinc/40/08/48/849400848.db2.gz LJXCUINBNFADEG-NVXWUHKLSA-N 2 2 350.463 0.582 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cn4c(n3)COCC4)CC[C@@H]2C1 ZINC001141530969 849400853 /nfs/dbraw/zinc/40/08/53/849400853.db2.gz LJXCUINBNFADEG-NVXWUHKLSA-N 2 2 350.463 0.582 20 0 FCADLP CC(C)/C=C/C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001142658132 849457253 /nfs/dbraw/zinc/45/72/53/849457253.db2.gz DOFRIIUWMJFMDE-VOTSOKGWSA-N 2 2 350.507 0.895 20 0 FCADLP CC(C)/C=C/C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001142658132 849457257 /nfs/dbraw/zinc/45/72/57/849457257.db2.gz DOFRIIUWMJFMDE-VOTSOKGWSA-N 2 2 350.507 0.895 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C(F)(F)F)CC2)C1=O ZINC001142764702 849460706 /nfs/dbraw/zinc/46/07/06/849460706.db2.gz RTZNALGPBUTDBL-UHFFFAOYSA-N 2 2 350.385 0.246 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C(F)(F)F)CC2)C1=O ZINC001142764702 849460708 /nfs/dbraw/zinc/46/07/08/849460708.db2.gz RTZNALGPBUTDBL-UHFFFAOYSA-N 2 2 350.385 0.246 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001277720027 862032555 /nfs/dbraw/zinc/03/25/55/862032555.db2.gz TXEQZFRVDMMSSO-HZPDHXFCSA-N 2 2 350.463 0.536 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001277719830 862033051 /nfs/dbraw/zinc/03/30/51/862033051.db2.gz SPTIVSXKALGJGW-MRXNPFEDSA-N 2 2 350.463 0.632 20 0 FCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415772 849794651 /nfs/dbraw/zinc/79/46/51/849794651.db2.gz YVGFHALJINMIOP-ZACQAIPSSA-N 2 2 357.495 0.075 20 0 FCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415772 849794658 /nfs/dbraw/zinc/79/46/58/849794658.db2.gz YVGFHALJINMIOP-ZACQAIPSSA-N 2 2 357.495 0.075 20 0 FCADLP CNS(=O)(=O)Cc1ccc2c(c1)c(CC[NH3+])cn2-c1cc(N)[nH+]cn1 ZINC001156705866 849921911 /nfs/dbraw/zinc/92/19/11/849921911.db2.gz XBROTWMGMOFIAP-UHFFFAOYSA-N 2 2 360.443 0.553 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC001157916288 850005030 /nfs/dbraw/zinc/00/50/30/850005030.db2.gz RNKBJBCNLVXERT-UHFFFAOYSA-N 2 2 352.464 0.460 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])Cc1ccccc1Cl ZINC001157998785 850010869 /nfs/dbraw/zinc/01/08/69/850010869.db2.gz HQPBTEMCVJDTEE-UKRRQHHQSA-N 2 2 353.850 0.963 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001157999269 850011101 /nfs/dbraw/zinc/01/11/01/850011101.db2.gz PTHQAGXYPHKKMD-XHSDSOJGSA-N 2 2 355.479 0.399 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(=O)OC(C)(CC)CC ZINC001158000501 850011498 /nfs/dbraw/zinc/01/14/98/850011498.db2.gz YNBQVDBAUSAEHQ-QWHCGFSZSA-N 2 2 357.451 0.189 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)C1 ZINC001158259666 850030670 /nfs/dbraw/zinc/03/06/70/850030670.db2.gz UVXKQPNRRJXVHS-LBPRGKRZSA-N 2 2 367.885 0.363 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)C1 ZINC001158259666 850030681 /nfs/dbraw/zinc/03/06/81/850030681.db2.gz UVXKQPNRRJXVHS-LBPRGKRZSA-N 2 2 367.885 0.363 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158266160 850031626 /nfs/dbraw/zinc/03/16/26/850031626.db2.gz AGPSJHGZMTYUGU-JTQLQIEISA-N 2 2 359.883 0.384 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158266160 850031634 /nfs/dbraw/zinc/03/16/34/850031634.db2.gz AGPSJHGZMTYUGU-JTQLQIEISA-N 2 2 359.883 0.384 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001158855583 850080657 /nfs/dbraw/zinc/08/06/57/850080657.db2.gz IEKQBUPRKCHWIB-HNNXBMFYSA-N 3 2 350.511 0.852 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001158855583 850080665 /nfs/dbraw/zinc/08/06/65/850080665.db2.gz IEKQBUPRKCHWIB-HNNXBMFYSA-N 3 2 350.511 0.852 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159833995 850140124 /nfs/dbraw/zinc/14/01/24/850140124.db2.gz SZEVQHDURROHFA-ZXORJKPCSA-N 2 2 370.544 0.662 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833995 850140131 /nfs/dbraw/zinc/14/01/31/850140131.db2.gz SZEVQHDURROHFA-ZXORJKPCSA-N 2 2 370.544 0.662 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)C1 ZINC001159910090 850145353 /nfs/dbraw/zinc/14/53/53/850145353.db2.gz OCYXKIBXLISZSP-GRYWWWGRSA-N 2 2 366.487 0.355 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159910809 850146553 /nfs/dbraw/zinc/14/65/53/850146553.db2.gz QEUSKJZPCOJYIR-XSEXMBABSA-N 2 2 366.487 0.212 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCC(F)(F)F ZINC001160336566 850169106 /nfs/dbraw/zinc/16/91/06/850169106.db2.gz CAPMOUZHADLVSF-GMTAPVOTSA-N 2 2 361.368 0.676 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)NCC(F)(F)F ZINC001160336566 850169116 /nfs/dbraw/zinc/16/91/16/850169116.db2.gz CAPMOUZHADLVSF-GMTAPVOTSA-N 2 2 361.368 0.676 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160337128 850169181 /nfs/dbraw/zinc/16/91/81/850169181.db2.gz SOIZLKOZWYIEQH-ZIAGYGMSSA-N 2 2 356.492 0.822 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160337128 850169191 /nfs/dbraw/zinc/16/91/91/850169191.db2.gz SOIZLKOZWYIEQH-ZIAGYGMSSA-N 2 2 356.492 0.822 20 0 FCADLP O=C(N1CCC(c2noc(C(F)(F)F)n2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160549484 850180792 /nfs/dbraw/zinc/18/07/92/850180792.db2.gz YVRNCZJKWHPBTR-QMTHXVAHSA-N 2 2 359.352 0.746 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]cn1 ZINC001160740680 850196506 /nfs/dbraw/zinc/19/65/06/850196506.db2.gz AAGSAXMITWYYIL-AXFHLTTASA-N 2 2 358.368 0.883 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc[nH+]1 ZINC001160740680 850196512 /nfs/dbraw/zinc/19/65/12/850196512.db2.gz AAGSAXMITWYYIL-AXFHLTTASA-N 2 2 358.368 0.883 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc(C(C)(C)C)n2)O1 ZINC001160862623 850210019 /nfs/dbraw/zinc/21/00/19/850210019.db2.gz SCKCCQSLCHKHRM-CHWSQXEVSA-N 2 2 353.467 0.682 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc(C(C)(C)C)n2)O1 ZINC001160862623 850210030 /nfs/dbraw/zinc/21/00/30/850210030.db2.gz SCKCCQSLCHKHRM-CHWSQXEVSA-N 2 2 353.467 0.682 20 0 FCADLP O=C(N1CCC(Oc2ccc(Cl)nn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160912748 850213581 /nfs/dbraw/zinc/21/35/81/850213581.db2.gz OFQKKSFYDCWERQ-MEDUHNTESA-N 2 2 351.838 0.451 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC001161138038 850232899 /nfs/dbraw/zinc/23/28/99/850232899.db2.gz LJMRBPNZAYXMFL-RISCZKNCSA-N 2 2 356.220 0.552 20 0 FCADLP [NH3+]C1(C(=O)N2c3ccccc3CN(C3CC[NH2+]CC3)S2(=O)=O)CC1 ZINC001161354985 850253223 /nfs/dbraw/zinc/25/32/23/850253223.db2.gz UEBCRBBOOZWNKW-UHFFFAOYSA-N 2 2 350.444 0.323 20 0 FCADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161478216 850262158 /nfs/dbraw/zinc/26/21/58/850262158.db2.gz LLNDSSWAVRBIQF-GJZGRUSLSA-N 2 2 360.449 0.952 20 0 FCADLP O=C(NCCC[NH2+]Cc1cscn1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163007711 850341975 /nfs/dbraw/zinc/34/19/75/850341975.db2.gz UVGLWTRMORPABM-CVEARBPZSA-N 2 2 368.503 0.619 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH+](CC)CC ZINC001277836960 862124299 /nfs/dbraw/zinc/12/42/99/862124299.db2.gz SXXALIMMBOBRAW-QKPAOTATSA-N 2 2 354.495 0.018 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH+](CC)CC ZINC001277836960 862124304 /nfs/dbraw/zinc/12/43/04/862124304.db2.gz SXXALIMMBOBRAW-QKPAOTATSA-N 2 2 354.495 0.018 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836891 862124385 /nfs/dbraw/zinc/12/43/85/862124385.db2.gz RKXWVVVUZRZLRU-HKUYNNGSSA-N 2 2 355.523 0.896 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836891 862124388 /nfs/dbraw/zinc/12/43/88/862124388.db2.gz RKXWVVVUZRZLRU-HKUYNNGSSA-N 2 2 355.523 0.896 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCOC[C@@](O)(C(F)(F)F)C3)[nH+]2)CC1 ZINC001164296079 850403976 /nfs/dbraw/zinc/40/39/76/850403976.db2.gz VZSSMQOMNLHUBO-OAHLLOKOSA-N 2 2 360.380 0.963 20 0 FCADLP Cc1[nH+]c2c(n1-c1nc(Cl)nc3c1S(=O)(=O)CC3)CC[NH2+]CC2 ZINC001165355134 850437733 /nfs/dbraw/zinc/43/77/33/850437733.db2.gz ARNFZBWMYYPFOM-UHFFFAOYSA-N 2 2 353.835 0.642 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001166962220 850515430 /nfs/dbraw/zinc/51/54/30/850515430.db2.gz ZCXZISJESGYKPD-GHMZBOCLSA-N 2 2 361.368 0.298 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166966553 850516628 /nfs/dbraw/zinc/51/66/28/850516628.db2.gz BURUDTXFYIZOLF-ZIAGYGMSSA-N 2 2 356.492 0.444 20 0 FCADLP CC(C)[NH+]1CC(Nc2cccc(N3CCN(S(C)(=O)=O)CC3)[nH+]2)C1 ZINC001168313212 850581344 /nfs/dbraw/zinc/58/13/44/850581344.db2.gz NCLSVBBUYAICGG-UHFFFAOYSA-N 2 2 353.492 0.668 20 0 FCADLP COCCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)C1CC[NH+](C)CC1 ZINC001176357726 850788233 /nfs/dbraw/zinc/78/82/33/850788233.db2.gz WNPIRAOYPOGTEM-MRXNPFEDSA-N 2 2 351.451 0.026 20 0 FCADLP COCCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)C1CC[NH+](C)CC1 ZINC001176357726 850788240 /nfs/dbraw/zinc/78/82/40/850788240.db2.gz WNPIRAOYPOGTEM-MRXNPFEDSA-N 2 2 351.451 0.026 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471975 851794285 /nfs/dbraw/zinc/79/42/85/851794285.db2.gz YRCLWKOGQDHZCB-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471975 851794291 /nfs/dbraw/zinc/79/42/91/851794291.db2.gz YRCLWKOGQDHZCB-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178333 851870728 /nfs/dbraw/zinc/87/07/28/851870728.db2.gz XHIDRQTVYGNJFV-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178333 851870730 /nfs/dbraw/zinc/87/07/30/851870730.db2.gz XHIDRQTVYGNJFV-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901632 851979919 /nfs/dbraw/zinc/97/99/19/851979919.db2.gz ZVIDEUNUKXAMRK-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901632 851979920 /nfs/dbraw/zinc/97/99/20/851979920.db2.gz ZVIDEUNUKXAMRK-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901632 851979922 /nfs/dbraw/zinc/97/99/22/851979922.db2.gz ZVIDEUNUKXAMRK-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901632 851979924 /nfs/dbraw/zinc/97/99/24/851979924.db2.gz ZVIDEUNUKXAMRK-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785108 852137634 /nfs/dbraw/zinc/13/76/34/852137634.db2.gz OBHFLGWSVSFHGN-IJLUTSLNSA-N 2 2 371.375 0.159 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785108 852137637 /nfs/dbraw/zinc/13/76/37/852137637.db2.gz OBHFLGWSVSFHGN-IJLUTSLNSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785108 852137639 /nfs/dbraw/zinc/13/76/39/852137639.db2.gz OBHFLGWSVSFHGN-IJLUTSLNSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785108 852137642 /nfs/dbraw/zinc/13/76/42/852137642.db2.gz OBHFLGWSVSFHGN-IJLUTSLNSA-N 2 2 371.375 0.159 20 0 FCADLP COCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426273 852235511 /nfs/dbraw/zinc/23/55/11/852235511.db2.gz OZOOBSFVYMSAMB-ARFHVFGLSA-N 2 2 350.463 0.719 20 0 FCADLP COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001192426273 852235517 /nfs/dbraw/zinc/23/55/17/852235517.db2.gz OZOOBSFVYMSAMB-ARFHVFGLSA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cs1 ZINC001193766795 852485685 /nfs/dbraw/zinc/48/56/85/852485685.db2.gz WYJYCUMKBIIVJY-HUUCEWRRSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cs1 ZINC001193766795 852485691 /nfs/dbraw/zinc/48/56/91/852485691.db2.gz WYJYCUMKBIIVJY-HUUCEWRRSA-N 2 2 352.504 0.640 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828430 852495818 /nfs/dbraw/zinc/49/58/18/852495818.db2.gz QCZRVHOKNYKQDB-HZPDHXFCSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828430 852495824 /nfs/dbraw/zinc/49/58/24/852495824.db2.gz QCZRVHOKNYKQDB-HZPDHXFCSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193828430 852495831 /nfs/dbraw/zinc/49/58/31/852495831.db2.gz QCZRVHOKNYKQDB-HZPDHXFCSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193828430 852495838 /nfs/dbraw/zinc/49/58/38/852495838.db2.gz QCZRVHOKNYKQDB-HZPDHXFCSA-N 2 2 350.463 0.691 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191972 852555241 /nfs/dbraw/zinc/55/52/41/852555241.db2.gz REQJVDGEKLWMKO-DJIMGWMZSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191972 852555247 /nfs/dbraw/zinc/55/52/47/852555247.db2.gz REQJVDGEKLWMKO-DJIMGWMZSA-N 2 2 350.463 0.422 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1O ZINC001194236261 852563012 /nfs/dbraw/zinc/56/30/12/852563012.db2.gz ZQKHPIZUZJXSRV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1O ZINC001194236261 852563014 /nfs/dbraw/zinc/56/30/14/852563014.db2.gz ZQKHPIZUZJXSRV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001194236261 852563020 /nfs/dbraw/zinc/56/30/20/852563020.db2.gz ZQKHPIZUZJXSRV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001194236261 852563025 /nfs/dbraw/zinc/56/30/25/852563025.db2.gz ZQKHPIZUZJXSRV-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244168 852563651 /nfs/dbraw/zinc/56/36/51/852563651.db2.gz JFQSJEGPPGFQGQ-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244168 852563654 /nfs/dbraw/zinc/56/36/54/852563654.db2.gz JFQSJEGPPGFQGQ-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244168 852563659 /nfs/dbraw/zinc/56/36/59/852563659.db2.gz JFQSJEGPPGFQGQ-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244168 852563663 /nfs/dbraw/zinc/56/36/63/852563663.db2.gz JFQSJEGPPGFQGQ-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746689 852644698 /nfs/dbraw/zinc/64/46/98/852644698.db2.gz YTNGEKXBKYEBMS-NVXWUHKLSA-N 2 2 350.463 0.348 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746689 852644703 /nfs/dbraw/zinc/64/47/03/852644703.db2.gz YTNGEKXBKYEBMS-NVXWUHKLSA-N 2 2 350.463 0.348 20 0 FCADLP CCc1[nH]c(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)c[nH+]1 ZINC001195635617 852802546 /nfs/dbraw/zinc/80/25/46/852802546.db2.gz LYGKVNRQRHAXHF-UHFFFAOYSA-N 2 2 354.480 0.826 20 0 FCADLP CCc1[nH]cc(CNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[nH+]1 ZINC001195635617 852802550 /nfs/dbraw/zinc/80/25/50/852802550.db2.gz LYGKVNRQRHAXHF-UHFFFAOYSA-N 2 2 354.480 0.826 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196128911 852895963 /nfs/dbraw/zinc/89/59/63/852895963.db2.gz GQAGPGBPLDCULO-HZSPNIEDSA-N 2 2 369.428 0.847 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)[NH+](CC)CC ZINC001196128911 852895967 /nfs/dbraw/zinc/89/59/67/852895967.db2.gz GQAGPGBPLDCULO-HZSPNIEDSA-N 2 2 369.428 0.847 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269265 852929986 /nfs/dbraw/zinc/92/99/86/852929986.db2.gz RPFYGJSBDGQNMY-HZPDHXFCSA-N 2 2 354.495 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269265 852929994 /nfs/dbraw/zinc/92/99/94/852929994.db2.gz RPFYGJSBDGQNMY-HZPDHXFCSA-N 2 2 354.495 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196269265 852930002 /nfs/dbraw/zinc/93/00/02/852930002.db2.gz RPFYGJSBDGQNMY-HZPDHXFCSA-N 2 2 354.495 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196269265 852930006 /nfs/dbraw/zinc/93/00/06/852930006.db2.gz RPFYGJSBDGQNMY-HZPDHXFCSA-N 2 2 354.495 0.107 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197048717 853052688 /nfs/dbraw/zinc/05/26/88/853052688.db2.gz DZRPPVKVCCVYLL-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197048717 853052690 /nfs/dbraw/zinc/05/26/90/853052690.db2.gz DZRPPVKVCCVYLL-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001197049658 853053177 /nfs/dbraw/zinc/05/31/77/853053177.db2.gz POZNKBOGQCLASL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001197049658 853053188 /nfs/dbraw/zinc/05/31/88/853053188.db2.gz POZNKBOGQCLASL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001197493381 853122890 /nfs/dbraw/zinc/12/28/90/853122890.db2.gz KXCJGQQOAILTAZ-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001197493381 853122894 /nfs/dbraw/zinc/12/28/94/853122894.db2.gz KXCJGQQOAILTAZ-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001197493381 853122895 /nfs/dbraw/zinc/12/28/95/853122895.db2.gz KXCJGQQOAILTAZ-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001197493381 853122900 /nfs/dbraw/zinc/12/29/00/853122900.db2.gz KXCJGQQOAILTAZ-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197782012 853160897 /nfs/dbraw/zinc/16/08/97/853160897.db2.gz DRCYKBKTFXLQAD-HZPDHXFCSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1O ZINC001197782012 853160903 /nfs/dbraw/zinc/16/09/03/853160903.db2.gz DRCYKBKTFXLQAD-HZPDHXFCSA-N 2 2 355.866 0.580 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948965 853189749 /nfs/dbraw/zinc/18/97/49/853189749.db2.gz OPLLDPZLDWISOK-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948965 853189754 /nfs/dbraw/zinc/18/97/54/853189754.db2.gz OPLLDPZLDWISOK-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001197996918 853201723 /nfs/dbraw/zinc/20/17/23/853201723.db2.gz NDICUFVWQDQHSK-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001197996918 853201728 /nfs/dbraw/zinc/20/17/28/853201728.db2.gz NDICUFVWQDQHSK-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001197996918 853201732 /nfs/dbraw/zinc/20/17/32/853201732.db2.gz NDICUFVWQDQHSK-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001197996918 853201737 /nfs/dbraw/zinc/20/17/37/853201737.db2.gz NDICUFVWQDQHSK-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C2)o1 ZINC001198020388 853205593 /nfs/dbraw/zinc/20/55/93/853205593.db2.gz LYYSUHWJGGTFBE-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C2)o1 ZINC001198020388 853205600 /nfs/dbraw/zinc/20/56/00/853205600.db2.gz LYYSUHWJGGTFBE-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C2)o1 ZINC001198020388 853205609 /nfs/dbraw/zinc/20/56/09/853205609.db2.gz LYYSUHWJGGTFBE-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046813 853211696 /nfs/dbraw/zinc/21/16/96/853211696.db2.gz FQWSPUWGBPQARD-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046813 853211703 /nfs/dbraw/zinc/21/17/03/853211703.db2.gz FQWSPUWGBPQARD-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046813 853211711 /nfs/dbraw/zinc/21/17/11/853211711.db2.gz FQWSPUWGBPQARD-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046813 853211720 /nfs/dbraw/zinc/21/17/20/853211720.db2.gz FQWSPUWGBPQARD-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)n1 ZINC001199103897 853369834 /nfs/dbraw/zinc/36/98/34/853369834.db2.gz DPHXLJSMJJKKSL-HZPDHXFCSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)n1 ZINC001199103897 853369839 /nfs/dbraw/zinc/36/98/39/853369839.db2.gz DPHXLJSMJJKKSL-HZPDHXFCSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001199103897 853369873 /nfs/dbraw/zinc/36/98/73/853369873.db2.gz DPHXLJSMJJKKSL-HZPDHXFCSA-N 2 2 350.463 0.482 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001199111886 853371803 /nfs/dbraw/zinc/37/18/03/853371803.db2.gz QMZZNUYYGORKRP-BRWVUGGUSA-N 2 2 369.893 0.875 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001199111886 853371818 /nfs/dbraw/zinc/37/18/18/853371818.db2.gz QMZZNUYYGORKRP-BRWVUGGUSA-N 2 2 369.893 0.875 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001199111886 853371829 /nfs/dbraw/zinc/37/18/29/853371829.db2.gz QMZZNUYYGORKRP-BRWVUGGUSA-N 2 2 369.893 0.875 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001199111886 853371838 /nfs/dbraw/zinc/37/18/38/853371838.db2.gz QMZZNUYYGORKRP-BRWVUGGUSA-N 2 2 369.893 0.875 20 0 FCADLP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739293 853717380 /nfs/dbraw/zinc/71/73/80/853717380.db2.gz DFZCVXFMYGQLDU-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739293 853717387 /nfs/dbraw/zinc/71/73/87/853717387.db2.gz DFZCVXFMYGQLDU-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001206739293 853717395 /nfs/dbraw/zinc/71/73/95/853717395.db2.gz DFZCVXFMYGQLDU-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001206739293 853717403 /nfs/dbraw/zinc/71/74/03/853717403.db2.gz DFZCVXFMYGQLDU-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)no1 ZINC001206817322 853722081 /nfs/dbraw/zinc/72/20/81/853722081.db2.gz LSLRRDAYNSHJER-UHFFFAOYSA-N 2 2 350.463 0.986 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)no1 ZINC001206817322 853722085 /nfs/dbraw/zinc/72/20/85/853722085.db2.gz LSLRRDAYNSHJER-UHFFFAOYSA-N 2 2 350.463 0.986 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207652950 853834512 /nfs/dbraw/zinc/83/45/12/853834512.db2.gz RMQUKBVWAQJRBT-OAGGEKHMSA-N 2 2 361.552 0.834 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207652950 853834519 /nfs/dbraw/zinc/83/45/19/853834519.db2.gz RMQUKBVWAQJRBT-OAGGEKHMSA-N 2 2 361.552 0.834 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207709060 853844583 /nfs/dbraw/zinc/84/45/83/853844583.db2.gz MXQXODGWWNVVPA-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207709060 853844590 /nfs/dbraw/zinc/84/45/90/853844590.db2.gz MXQXODGWWNVVPA-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207709060 853844599 /nfs/dbraw/zinc/84/45/99/853844599.db2.gz MXQXODGWWNVVPA-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207709060 853844608 /nfs/dbraw/zinc/84/46/08/853844608.db2.gz MXQXODGWWNVVPA-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207709573 853844689 /nfs/dbraw/zinc/84/46/89/853844689.db2.gz YXPADBUNNVEXEX-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207709573 853844692 /nfs/dbraw/zinc/84/46/92/853844692.db2.gz YXPADBUNNVEXEX-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207709573 853844702 /nfs/dbraw/zinc/84/47/02/853844702.db2.gz YXPADBUNNVEXEX-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001207709573 853844711 /nfs/dbraw/zinc/84/47/11/853844711.db2.gz YXPADBUNNVEXEX-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859310 853864716 /nfs/dbraw/zinc/86/47/16/853864716.db2.gz OKHJTIJBAJQIGE-OWCLPIDISA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859310 853864721 /nfs/dbraw/zinc/86/47/21/853864721.db2.gz OKHJTIJBAJQIGE-OWCLPIDISA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405056 853928192 /nfs/dbraw/zinc/92/81/92/853928192.db2.gz IFPCEHODIOEPLB-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405056 853928197 /nfs/dbraw/zinc/92/81/97/853928197.db2.gz IFPCEHODIOEPLB-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405056 853928205 /nfs/dbraw/zinc/92/82/05/853928205.db2.gz IFPCEHODIOEPLB-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405056 853928208 /nfs/dbraw/zinc/92/82/08/853928208.db2.gz IFPCEHODIOEPLB-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)n(C)n1 ZINC001208496180 853943438 /nfs/dbraw/zinc/94/34/38/853943438.db2.gz KXMJZGLMUFXCLQ-TZMCWYRMSA-N 2 2 350.467 0.055 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)n(C)n1 ZINC001208496180 853943440 /nfs/dbraw/zinc/94/34/40/853943440.db2.gz KXMJZGLMUFXCLQ-TZMCWYRMSA-N 2 2 350.467 0.055 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506626 854032472 /nfs/dbraw/zinc/03/24/72/854032472.db2.gz OHLFNFUEXXEARB-CXAGYDPISA-N 2 2 350.463 0.950 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506626 854032479 /nfs/dbraw/zinc/03/24/79/854032479.db2.gz OHLFNFUEXXEARB-CXAGYDPISA-N 2 2 350.463 0.950 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001209698895 854046901 /nfs/dbraw/zinc/04/69/01/854046901.db2.gz UEHUNBOCAYTUCR-NVXWUHKLSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001209698895 854046904 /nfs/dbraw/zinc/04/69/04/854046904.db2.gz UEHUNBOCAYTUCR-NVXWUHKLSA-N 2 2 350.507 0.681 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201093 854402912 /nfs/dbraw/zinc/40/29/12/854402912.db2.gz PCLOIHBTPGOJAX-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201093 854402913 /nfs/dbraw/zinc/40/29/13/854402913.db2.gz PCLOIHBTPGOJAX-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)[C@H](OC)C2)C1 ZINC001212384980 854459350 /nfs/dbraw/zinc/45/93/50/854459350.db2.gz CMWMODBSZFEZMF-OKEQZYBDSA-N 2 2 350.463 0.973 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)[C@H](OC)C2)C1 ZINC001212384980 854459360 /nfs/dbraw/zinc/45/93/60/854459360.db2.gz CMWMODBSZFEZMF-OKEQZYBDSA-N 2 2 350.463 0.973 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)[C@H](OC)C2)C1 ZINC001212384980 854459365 /nfs/dbraw/zinc/45/93/65/854459365.db2.gz CMWMODBSZFEZMF-OKEQZYBDSA-N 2 2 350.463 0.973 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)[C@H](OC)C2)C1 ZINC001212384980 854459375 /nfs/dbraw/zinc/45/93/75/854459375.db2.gz CMWMODBSZFEZMF-OKEQZYBDSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410035 854467531 /nfs/dbraw/zinc/46/75/31/854467531.db2.gz MNKVAJFEFNPRLB-DJIMGWMZSA-N 2 2 350.463 0.947 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410035 854467536 /nfs/dbraw/zinc/46/75/36/854467536.db2.gz MNKVAJFEFNPRLB-DJIMGWMZSA-N 2 2 350.463 0.947 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453612 854484766 /nfs/dbraw/zinc/48/47/66/854484766.db2.gz WOUFXIIXJCOQFB-QBPKDAKJSA-N 2 2 357.495 0.338 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453612 854484769 /nfs/dbraw/zinc/48/47/69/854484769.db2.gz WOUFXIIXJCOQFB-QBPKDAKJSA-N 2 2 357.495 0.338 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453612 854484772 /nfs/dbraw/zinc/48/47/72/854484772.db2.gz WOUFXIIXJCOQFB-QBPKDAKJSA-N 2 2 357.495 0.338 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453612 854484774 /nfs/dbraw/zinc/48/47/74/854484774.db2.gz WOUFXIIXJCOQFB-QBPKDAKJSA-N 2 2 357.495 0.338 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001212484951 854497241 /nfs/dbraw/zinc/49/72/41/854497241.db2.gz KVIDPLCMBUTWOC-USXIJHARSA-N 2 2 350.463 0.686 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001212484951 854497242 /nfs/dbraw/zinc/49/72/42/854497242.db2.gz KVIDPLCMBUTWOC-USXIJHARSA-N 2 2 350.463 0.686 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212487237 854499408 /nfs/dbraw/zinc/49/94/08/854499408.db2.gz XNVTUOAOVHLPNB-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212487237 854499413 /nfs/dbraw/zinc/49/94/13/854499413.db2.gz XNVTUOAOVHLPNB-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213166069 854520063 /nfs/dbraw/zinc/52/00/63/854520063.db2.gz FXZVBQGLXOJSEP-JHJVBQTASA-N 2 2 364.368 0.320 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213166069 854520069 /nfs/dbraw/zinc/52/00/69/854520069.db2.gz FXZVBQGLXOJSEP-JHJVBQTASA-N 2 2 364.368 0.320 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221557 854539135 /nfs/dbraw/zinc/53/91/35/854539135.db2.gz IIBAFYJFYULSCY-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221557 854539137 /nfs/dbraw/zinc/53/91/37/854539137.db2.gz IIBAFYJFYULSCY-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)n1 ZINC001213371381 854591063 /nfs/dbraw/zinc/59/10/63/854591063.db2.gz XZKMPRVPKLFEKD-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)n1 ZINC001213371381 854591073 /nfs/dbraw/zinc/59/10/73/854591073.db2.gz XZKMPRVPKLFEKD-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374788 854593534 /nfs/dbraw/zinc/59/35/34/854593534.db2.gz XVCCKTBQUDNROW-FVQBIDKESA-N 2 2 356.511 0.447 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374788 854593540 /nfs/dbraw/zinc/59/35/40/854593540.db2.gz XVCCKTBQUDNROW-FVQBIDKESA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213376922 854593665 /nfs/dbraw/zinc/59/36/65/854593665.db2.gz NRJIOBJLTVJFLD-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213376922 854593671 /nfs/dbraw/zinc/59/36/71/854593671.db2.gz NRJIOBJLTVJFLD-HUUCEWRRSA-N 2 2 354.495 0.058 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578024 854673327 /nfs/dbraw/zinc/67/33/27/854673327.db2.gz BZVWXFQZZHPDGC-IAGOWNOFSA-N 2 2 357.495 0.341 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578024 854673338 /nfs/dbraw/zinc/67/33/38/854673338.db2.gz BZVWXFQZZHPDGC-IAGOWNOFSA-N 2 2 357.495 0.341 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213676145 854712121 /nfs/dbraw/zinc/71/21/21/854712121.db2.gz RSALMVLZHFIAFS-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213676145 854712124 /nfs/dbraw/zinc/71/21/24/854712124.db2.gz RSALMVLZHFIAFS-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213676145 854712131 /nfs/dbraw/zinc/71/21/31/854712131.db2.gz RSALMVLZHFIAFS-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213676145 854712137 /nfs/dbraw/zinc/71/21/37/854712137.db2.gz RSALMVLZHFIAFS-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753925 854751739 /nfs/dbraw/zinc/75/17/39/854751739.db2.gz QAKJGQALZMRJCF-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753925 854751742 /nfs/dbraw/zinc/75/17/42/854751742.db2.gz QAKJGQALZMRJCF-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001213763334 854757072 /nfs/dbraw/zinc/75/70/72/854757072.db2.gz PEMRUQJGDCMMNF-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001213763334 854757078 /nfs/dbraw/zinc/75/70/78/854757078.db2.gz PEMRUQJGDCMMNF-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001213763334 854757086 /nfs/dbraw/zinc/75/70/86/854757086.db2.gz PEMRUQJGDCMMNF-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001213763334 854757093 /nfs/dbraw/zinc/75/70/93/854757093.db2.gz PEMRUQJGDCMMNF-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765073 854758457 /nfs/dbraw/zinc/75/84/57/854758457.db2.gz SLECKKDSTWTYAA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765073 854758458 /nfs/dbraw/zinc/75/84/58/854758458.db2.gz SLECKKDSTWTYAA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765073 854758459 /nfs/dbraw/zinc/75/84/59/854758459.db2.gz SLECKKDSTWTYAA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765073 854758460 /nfs/dbraw/zinc/75/84/60/854758460.db2.gz SLECKKDSTWTYAA-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213767504 854759492 /nfs/dbraw/zinc/75/94/92/854759492.db2.gz WSPBIKBGSMSCPQ-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213767504 854759494 /nfs/dbraw/zinc/75/94/94/854759494.db2.gz WSPBIKBGSMSCPQ-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213767504 854759501 /nfs/dbraw/zinc/75/95/01/854759501.db2.gz WSPBIKBGSMSCPQ-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213767504 854759505 /nfs/dbraw/zinc/75/95/05/854759505.db2.gz WSPBIKBGSMSCPQ-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802543 854775103 /nfs/dbraw/zinc/77/51/03/854775103.db2.gz WQGGELWFRLTRRK-BRWVUGGUSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802543 854775108 /nfs/dbraw/zinc/77/51/08/854775108.db2.gz WQGGELWFRLTRRK-BRWVUGGUSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802194 854775385 /nfs/dbraw/zinc/77/53/85/854775385.db2.gz NPYSPKPXOJRJGV-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802194 854775392 /nfs/dbraw/zinc/77/53/92/854775392.db2.gz NPYSPKPXOJRJGV-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859592 854794639 /nfs/dbraw/zinc/79/46/39/854794639.db2.gz GLTQHYPHEOXDEH-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859592 854794646 /nfs/dbraw/zinc/79/46/46/854794646.db2.gz GLTQHYPHEOXDEH-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927728 854829067 /nfs/dbraw/zinc/82/90/67/854829067.db2.gz YOCQJEHEYNTENS-HUUCEWRRSA-N 2 2 356.511 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927728 854829069 /nfs/dbraw/zinc/82/90/69/854829069.db2.gz YOCQJEHEYNTENS-HUUCEWRRSA-N 2 2 356.511 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927728 854829073 /nfs/dbraw/zinc/82/90/73/854829073.db2.gz YOCQJEHEYNTENS-HUUCEWRRSA-N 2 2 356.511 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927728 854829076 /nfs/dbraw/zinc/82/90/76/854829076.db2.gz YOCQJEHEYNTENS-HUUCEWRRSA-N 2 2 356.511 0.447 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975390 854851314 /nfs/dbraw/zinc/85/13/14/854851314.db2.gz GEAZHHCTRVDLSN-HZPDHXFCSA-N 2 2 354.451 0.142 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213975390 854851319 /nfs/dbraw/zinc/85/13/19/854851319.db2.gz GEAZHHCTRVDLSN-HZPDHXFCSA-N 2 2 354.451 0.142 20 0 FCADLP CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)n1cc[nH+]c1 ZINC001214917210 855033923 /nfs/dbraw/zinc/03/39/23/855033923.db2.gz QGDLRXXZLFNXQJ-BRWVUGGUSA-N 2 2 352.479 0.916 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215006173 855050369 /nfs/dbraw/zinc/05/03/69/855050369.db2.gz UOTJIZZCWLMCST-IJEWVQPXSA-N 2 2 368.503 0.317 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008788 855051761 /nfs/dbraw/zinc/05/17/61/855051761.db2.gz ZXCXTHZMRZILAZ-BFYDXBDKSA-N 2 2 350.463 0.545 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n1 ZINC001215421994 855112902 /nfs/dbraw/zinc/11/29/02/855112902.db2.gz TTZYHCOPEYBDOQ-ZIAGYGMSSA-N 2 2 353.467 0.537 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001215511244 855123185 /nfs/dbraw/zinc/12/31/85/855123185.db2.gz IQTDIIXGXLJAKX-IIAWOOMASA-N 2 2 350.463 0.929 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215585120 855129775 /nfs/dbraw/zinc/12/97/75/855129775.db2.gz AQHKQJWBRZSWFO-AAVRWANBSA-N 2 2 354.476 0.005 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855372 855151608 /nfs/dbraw/zinc/15/16/08/855151608.db2.gz PJUPXJLSTNHZPW-SQWLQELKSA-N 2 2 370.519 0.850 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855372 855151616 /nfs/dbraw/zinc/15/16/16/855151616.db2.gz PJUPXJLSTNHZPW-SQWLQELKSA-N 2 2 370.519 0.850 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1)C(C)C ZINC001215978070 855162080 /nfs/dbraw/zinc/16/20/80/855162080.db2.gz XMHYHDOXAAWOPJ-FMKPAKJESA-N 2 2 351.499 0.513 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1nccs1 ZINC001216061615 855167410 /nfs/dbraw/zinc/16/74/10/855167410.db2.gz MDAZFXMSPJIUAG-IJLUTSLNSA-N 2 2 362.459 0.872 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001216065272 855168215 /nfs/dbraw/zinc/16/82/15/855168215.db2.gz NSKKBLMIJXBPFJ-VXGBXAGGSA-N 2 2 362.459 0.508 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216396958 855198739 /nfs/dbraw/zinc/19/87/39/855198739.db2.gz KNMDXJQEOYJNKT-CHWSQXEVSA-N 2 2 371.507 0.015 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830665 855252498 /nfs/dbraw/zinc/25/24/98/855252498.db2.gz WVJQAYSODLHYLE-VNHYZAJKSA-N 2 2 364.515 0.677 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830665 855252507 /nfs/dbraw/zinc/25/25/07/855252507.db2.gz WVJQAYSODLHYLE-VNHYZAJKSA-N 2 2 364.515 0.677 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595539 855352713 /nfs/dbraw/zinc/35/27/13/855352713.db2.gz RDNPNGPOMZLYEK-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595539 855352721 /nfs/dbraw/zinc/35/27/21/855352721.db2.gz RDNPNGPOMZLYEK-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CC(C)OCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217595539 855352728 /nfs/dbraw/zinc/35/27/28/855352728.db2.gz RDNPNGPOMZLYEK-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CC(C)OCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217595539 855352734 /nfs/dbraw/zinc/35/27/34/855352734.db2.gz RDNPNGPOMZLYEK-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005418 855389517 /nfs/dbraw/zinc/38/95/17/855389517.db2.gz FQXHUTOKOKHJNQ-QMMMGPOBSA-N 2 2 360.361 0.137 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001218306941 855414480 /nfs/dbraw/zinc/41/44/80/855414480.db2.gz SKAOOTMBXPGNGF-UONOGXRCSA-N 2 2 358.389 0.385 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001218306941 855414481 /nfs/dbraw/zinc/41/44/81/855414481.db2.gz SKAOOTMBXPGNGF-UONOGXRCSA-N 2 2 358.389 0.385 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557684 855438543 /nfs/dbraw/zinc/43/85/43/855438543.db2.gz HNFIRPIZMZHIIZ-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557684 855438547 /nfs/dbraw/zinc/43/85/47/855438547.db2.gz HNFIRPIZMZHIIZ-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600829 855446224 /nfs/dbraw/zinc/44/62/24/855446224.db2.gz PSIFIAJKFZNYGL-DOTOQJQBSA-N 2 2 350.463 0.909 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600829 855446227 /nfs/dbraw/zinc/44/62/27/855446227.db2.gz PSIFIAJKFZNYGL-DOTOQJQBSA-N 2 2 350.463 0.909 20 0 FCADLP Nc1ncc(Br)nc1N(CC1CC1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218634126 855454434 /nfs/dbraw/zinc/45/44/34/855454434.db2.gz DSWLFNNXCYZFMZ-BDAKNGLRSA-N 2 2 355.240 0.254 20 0 FCADLP Nc1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(I)c1 ZINC001218679902 855463590 /nfs/dbraw/zinc/46/35/90/855463590.db2.gz PSHKDHMFNMRJGV-SECBINFHSA-N 2 2 372.170 0.500 20 0 FCADLP COC(=O)c1cc(Br)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1OC ZINC001218866527 855488396 /nfs/dbraw/zinc/48/83/96/855488396.db2.gz ZKBNYIJGZUXMCW-WPRPVWTQSA-N 2 2 372.219 0.730 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219006542 855511152 /nfs/dbraw/zinc/51/11/52/855511152.db2.gz OWWYIRCGKGXURW-RRFJBIMHSA-N 2 2 361.433 0.664 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219006542 855511157 /nfs/dbraw/zinc/51/11/57/855511157.db2.gz OWWYIRCGKGXURW-RRFJBIMHSA-N 2 2 361.433 0.664 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219006542 855511162 /nfs/dbraw/zinc/51/11/62/855511162.db2.gz OWWYIRCGKGXURW-RRFJBIMHSA-N 2 2 361.433 0.664 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219006542 855511165 /nfs/dbraw/zinc/51/11/65/855511165.db2.gz OWWYIRCGKGXURW-RRFJBIMHSA-N 2 2 361.433 0.664 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(-n3cnc(Br)n3)cc2)C1 ZINC001219251870 855602752 /nfs/dbraw/zinc/60/27/52/855602752.db2.gz KHCMHZBNEKEMQZ-KWQFWETISA-N 2 2 351.208 0.658 20 0 FCADLP COC(=O)NC(=S)N(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1N ZINC001219552263 855710417 /nfs/dbraw/zinc/71/04/17/855710417.db2.gz XXCRWQGTQDABPU-ZDUSSCGKSA-N 2 2 365.459 0.570 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1O ZINC001219731978 855790208 /nfs/dbraw/zinc/79/02/08/855790208.db2.gz LYVZAHMDCVQPLU-MCIONIFRSA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1O ZINC001219731978 855790211 /nfs/dbraw/zinc/79/02/11/855790211.db2.gz LYVZAHMDCVQPLU-MCIONIFRSA-N 2 2 358.483 0.793 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830028 855835099 /nfs/dbraw/zinc/83/50/99/855835099.db2.gz LSSHPRLDCVUQJW-OIISXLGYSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830028 855835104 /nfs/dbraw/zinc/83/51/04/855835104.db2.gz LSSHPRLDCVUQJW-OIISXLGYSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830028 855835106 /nfs/dbraw/zinc/83/51/06/855835106.db2.gz LSSHPRLDCVUQJW-OIISXLGYSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830028 855835109 /nfs/dbraw/zinc/83/51/09/855835109.db2.gz LSSHPRLDCVUQJW-OIISXLGYSA-N 2 2 350.463 0.773 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908527 855875484 /nfs/dbraw/zinc/87/54/84/855875484.db2.gz JFQSJEGPPGFQGQ-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908527 855875489 /nfs/dbraw/zinc/87/54/89/855875489.db2.gz JFQSJEGPPGFQGQ-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908527 855875494 /nfs/dbraw/zinc/87/54/94/855875494.db2.gz JFQSJEGPPGFQGQ-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908527 855875497 /nfs/dbraw/zinc/87/54/97/855875497.db2.gz JFQSJEGPPGFQGQ-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP CS(=O)(=O)N(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1ccc(C[NH3+])cc1 ZINC001219939133 855888140 /nfs/dbraw/zinc/88/81/40/855888140.db2.gz SGKNHAFACGKKDB-MRXNPFEDSA-N 3 2 362.455 0.710 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccsc2)N2CCC[NH2+]CC2)C[NH2+]1 ZINC001219965057 855899451 /nfs/dbraw/zinc/89/94/51/855899451.db2.gz ATNKSTGUSXEPCC-QLFBSQMISA-N 2 2 366.487 0.104 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072487 855946226 /nfs/dbraw/zinc/94/62/26/855946226.db2.gz YPMBYAAUUOPZFU-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220072487 855946231 /nfs/dbraw/zinc/94/62/31/855946231.db2.gz YPMBYAAUUOPZFU-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001220120507 855970758 /nfs/dbraw/zinc/97/07/58/855970758.db2.gz FQJMZPSMTRPFAN-LBPRGKRZSA-N 3 2 367.475 0.417 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cs1 ZINC001220129165 855973724 /nfs/dbraw/zinc/97/37/24/855973724.db2.gz ZKTGGTXNXXRCCF-OAHLLOKOSA-N 3 2 371.576 0.881 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220185383 855998201 /nfs/dbraw/zinc/99/82/01/855998201.db2.gz GVUXVIAIEQLYNC-UKRRQHHQSA-N 2 2 356.417 0.977 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269151 856037707 /nfs/dbraw/zinc/03/77/07/856037707.db2.gz RDCRPDFOGFEVSE-OLZOCXBDSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220269151 856037721 /nfs/dbraw/zinc/03/77/21/856037721.db2.gz RDCRPDFOGFEVSE-OLZOCXBDSA-N 2 2 353.385 0.068 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220298905 856050598 /nfs/dbraw/zinc/05/05/98/856050598.db2.gz JJZRDIYDFSWKHU-HLLBOEOZSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220298905 856050604 /nfs/dbraw/zinc/05/06/04/856050604.db2.gz JJZRDIYDFSWKHU-HLLBOEOZSA-N 2 2 352.479 0.793 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328442 856068774 /nfs/dbraw/zinc/06/87/74/856068774.db2.gz GFLPDKMVIMPYAW-IMJJTQAJSA-N 2 2 350.463 0.808 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328442 856068780 /nfs/dbraw/zinc/06/87/80/856068780.db2.gz GFLPDKMVIMPYAW-IMJJTQAJSA-N 2 2 350.463 0.808 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O)CC(C)(C)C ZINC001220359148 856081470 /nfs/dbraw/zinc/08/14/70/856081470.db2.gz CIAMEXIMCZGTRY-KGLIPLIRSA-N 2 2 356.511 0.040 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O)CC(C)(C)C ZINC001220359148 856081475 /nfs/dbraw/zinc/08/14/75/856081475.db2.gz CIAMEXIMCZGTRY-KGLIPLIRSA-N 2 2 356.511 0.040 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)CC(C)(C)C ZINC001220359148 856081484 /nfs/dbraw/zinc/08/14/84/856081484.db2.gz CIAMEXIMCZGTRY-KGLIPLIRSA-N 2 2 356.511 0.040 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)CC(C)(C)C ZINC001220359148 856081489 /nfs/dbraw/zinc/08/14/89/856081489.db2.gz CIAMEXIMCZGTRY-KGLIPLIRSA-N 2 2 356.511 0.040 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220372685 856093119 /nfs/dbraw/zinc/09/31/19/856093119.db2.gz HSUJQEGCMZRXHL-OLZOCXBDSA-N 2 2 369.428 0.705 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220372685 856093126 /nfs/dbraw/zinc/09/31/26/856093126.db2.gz HSUJQEGCMZRXHL-OLZOCXBDSA-N 2 2 369.428 0.705 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220372685 856093132 /nfs/dbraw/zinc/09/31/32/856093132.db2.gz HSUJQEGCMZRXHL-OLZOCXBDSA-N 2 2 369.428 0.705 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)CC(C)(C)C ZINC001220372685 856093135 /nfs/dbraw/zinc/09/31/35/856093135.db2.gz HSUJQEGCMZRXHL-OLZOCXBDSA-N 2 2 369.428 0.705 20 0 FCADLP CCCn1c(=O)cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n(CCC)c1=O ZINC001220424625 856119694 /nfs/dbraw/zinc/11/96/94/856119694.db2.gz NDSNSBPJFOYVEG-UHFFFAOYSA-N 2 2 351.451 0.110 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1O ZINC001220553561 856181763 /nfs/dbraw/zinc/18/17/63/856181763.db2.gz LEFJRWBNTUZBBC-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@@H]1O ZINC001220553561 856181769 /nfs/dbraw/zinc/18/17/69/856181769.db2.gz LEFJRWBNTUZBBC-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220575007 856191686 /nfs/dbraw/zinc/19/16/86/856191686.db2.gz MTINPTFUEXSRSN-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220575007 856191689 /nfs/dbraw/zinc/19/16/89/856191689.db2.gz MTINPTFUEXSRSN-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220574554 856191723 /nfs/dbraw/zinc/19/17/23/856191723.db2.gz DZRPPVKVCCVYLL-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220574554 856191726 /nfs/dbraw/zinc/19/17/26/856191726.db2.gz DZRPPVKVCCVYLL-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642841 856216404 /nfs/dbraw/zinc/21/64/04/856216404.db2.gz KZLPRPZTWRBVTP-CABCVRRESA-N 2 2 368.503 0.224 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642841 856216417 /nfs/dbraw/zinc/21/64/17/856216417.db2.gz KZLPRPZTWRBVTP-CABCVRRESA-N 2 2 368.503 0.224 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220689550 856242742 /nfs/dbraw/zinc/24/27/42/856242742.db2.gz KXCJGQQOAILTAZ-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220689550 856242752 /nfs/dbraw/zinc/24/27/52/856242752.db2.gz KXCJGQQOAILTAZ-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220689550 856242757 /nfs/dbraw/zinc/24/27/57/856242757.db2.gz KXCJGQQOAILTAZ-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220689550 856242770 /nfs/dbraw/zinc/24/27/70/856242770.db2.gz KXCJGQQOAILTAZ-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711140 856256178 /nfs/dbraw/zinc/25/61/78/856256178.db2.gz KYOSGVDDQLATAN-UKRRQHHQSA-N 2 2 365.865 0.070 20 0 FCADLP C[NH2+][C@H](C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC)[C@@H](C)OC(C)(C)C ZINC001220769954 856290274 /nfs/dbraw/zinc/29/02/74/856290274.db2.gz RTMXKKDPMGZLGK-XBFCOCLRSA-N 2 2 354.451 0.412 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798519 856306860 /nfs/dbraw/zinc/30/68/60/856306860.db2.gz AFOASKVMJJOMNV-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798519 856306868 /nfs/dbraw/zinc/30/68/68/856306868.db2.gz AFOASKVMJJOMNV-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806996 856310375 /nfs/dbraw/zinc/31/03/75/856310375.db2.gz OPLLDPZLDWISOK-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220806996 856310385 /nfs/dbraw/zinc/31/03/85/856310385.db2.gz OPLLDPZLDWISOK-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220816977 856318082 /nfs/dbraw/zinc/31/80/82/856318082.db2.gz JMUSRFCZWHGNRY-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220816977 856318087 /nfs/dbraw/zinc/31/80/87/856318087.db2.gz JMUSRFCZWHGNRY-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220816977 856318096 /nfs/dbraw/zinc/31/80/96/856318096.db2.gz JMUSRFCZWHGNRY-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220816977 856318100 /nfs/dbraw/zinc/31/81/00/856318100.db2.gz JMUSRFCZWHGNRY-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001220826312 856327324 /nfs/dbraw/zinc/32/73/24/856327324.db2.gz XKTFDNIJNDZLNV-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001220826312 856327336 /nfs/dbraw/zinc/32/73/36/856327336.db2.gz XKTFDNIJNDZLNV-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001220826312 856327349 /nfs/dbraw/zinc/32/73/49/856327349.db2.gz XKTFDNIJNDZLNV-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001220826312 856327362 /nfs/dbraw/zinc/32/73/62/856327362.db2.gz XKTFDNIJNDZLNV-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC001220947169 856388995 /nfs/dbraw/zinc/38/89/95/856388995.db2.gz XJMTUEZJXHWMLX-WFASDCNBSA-N 2 2 355.385 0.686 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001221085886 856456474 /nfs/dbraw/zinc/45/64/74/856456474.db2.gz WTGMNGRWEFCITJ-KURKYZTESA-N 2 2 353.507 0.839 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001221085886 856456480 /nfs/dbraw/zinc/45/64/80/856456480.db2.gz WTGMNGRWEFCITJ-KURKYZTESA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221085886 856456491 /nfs/dbraw/zinc/45/64/91/856456491.db2.gz WTGMNGRWEFCITJ-KURKYZTESA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221085886 856456499 /nfs/dbraw/zinc/45/64/99/856456499.db2.gz WTGMNGRWEFCITJ-KURKYZTESA-N 2 2 353.507 0.839 20 0 FCADLP [NH3+]CCCP(CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccccc1 ZINC001221271338 856535132 /nfs/dbraw/zinc/53/51/32/856535132.db2.gz AWKGHJRZXOZMAB-PDJKYDCYSA-N 3 2 362.458 0.599 20 0 FCADLP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCCOc1cc[nH+]cc1 ZINC001221393895 856557479 /nfs/dbraw/zinc/55/74/79/856557479.db2.gz QNNOKRILXBZZHM-LBPRGKRZSA-N 2 2 362.352 0.753 20 0 FCADLP CC[N@@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC001221460692 856576136 /nfs/dbraw/zinc/57/61/36/856576136.db2.gz KQKREXKHHRXKPD-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC001221460692 856576142 /nfs/dbraw/zinc/57/61/42/856576142.db2.gz KQKREXKHHRXKPD-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cnc1OC ZINC001279292381 862815251 /nfs/dbraw/zinc/81/52/51/862815251.db2.gz MZYDKWKCDBUBML-RDJZCZTQSA-N 2 2 350.463 0.545 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cnc1OC ZINC001279292381 862815264 /nfs/dbraw/zinc/81/52/64/862815264.db2.gz MZYDKWKCDBUBML-RDJZCZTQSA-N 2 2 350.463 0.545 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595128 856620641 /nfs/dbraw/zinc/62/06/41/856620641.db2.gz UKZKIRDCJWYWQA-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595128 856620647 /nfs/dbraw/zinc/62/06/47/856620647.db2.gz UKZKIRDCJWYWQA-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595128 856620650 /nfs/dbraw/zinc/62/06/50/856620650.db2.gz UKZKIRDCJWYWQA-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595128 856620653 /nfs/dbraw/zinc/62/06/53/856620653.db2.gz UKZKIRDCJWYWQA-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620697 856627204 /nfs/dbraw/zinc/62/72/04/856627204.db2.gz SSONAAPDABKSIR-ZMSDIMECSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620697 856627211 /nfs/dbraw/zinc/62/72/11/856627211.db2.gz SSONAAPDABKSIR-ZMSDIMECSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H](C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620697 856627219 /nfs/dbraw/zinc/62/72/19/856627219.db2.gz SSONAAPDABKSIR-ZMSDIMECSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H](C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620697 856627229 /nfs/dbraw/zinc/62/72/29/856627229.db2.gz SSONAAPDABKSIR-ZMSDIMECSA-N 2 2 371.547 0.684 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221657239 856641786 /nfs/dbraw/zinc/64/17/86/856641786.db2.gz PLYOXUGMHVPTTJ-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221657239 856641792 /nfs/dbraw/zinc/64/17/92/856641792.db2.gz PLYOXUGMHVPTTJ-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221657239 856641799 /nfs/dbraw/zinc/64/17/99/856641799.db2.gz PLYOXUGMHVPTTJ-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221657239 856641801 /nfs/dbraw/zinc/64/18/01/856641801.db2.gz PLYOXUGMHVPTTJ-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001279320048 862824244 /nfs/dbraw/zinc/82/42/44/862824244.db2.gz HBDDEVFQENUWLI-CVEARBPZSA-N 2 2 365.459 0.254 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001279320048 862824255 /nfs/dbraw/zinc/82/42/55/862824255.db2.gz HBDDEVFQENUWLI-CVEARBPZSA-N 2 2 365.459 0.254 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790129 856683775 /nfs/dbraw/zinc/68/37/75/856683775.db2.gz GFNRZLVBFOMSMF-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790129 856683784 /nfs/dbraw/zinc/68/37/84/856683784.db2.gz GFNRZLVBFOMSMF-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919473 856732491 /nfs/dbraw/zinc/73/24/91/856732491.db2.gz QLHQWXUCPSSSJV-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919473 856732494 /nfs/dbraw/zinc/73/24/94/856732494.db2.gz QLHQWXUCPSSSJV-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919473 856732501 /nfs/dbraw/zinc/73/25/01/856732501.db2.gz QLHQWXUCPSSSJV-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919473 856732506 /nfs/dbraw/zinc/73/25/06/856732506.db2.gz QLHQWXUCPSSSJV-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945224 856743216 /nfs/dbraw/zinc/74/32/16/856743216.db2.gz JLRYHMRTMFJPMN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945224 856743222 /nfs/dbraw/zinc/74/32/22/856743222.db2.gz JLRYHMRTMFJPMN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945224 856743227 /nfs/dbraw/zinc/74/32/27/856743227.db2.gz JLRYHMRTMFJPMN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945224 856743232 /nfs/dbraw/zinc/74/32/32/856743232.db2.gz JLRYHMRTMFJPMN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013581 856766419 /nfs/dbraw/zinc/76/64/19/856766419.db2.gz GRHKQSWWMQIJON-BZUAXINKSA-N 2 2 350.507 0.633 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013581 856766433 /nfs/dbraw/zinc/76/64/33/856766433.db2.gz GRHKQSWWMQIJON-BZUAXINKSA-N 2 2 350.507 0.633 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013581 856766441 /nfs/dbraw/zinc/76/64/41/856766441.db2.gz GRHKQSWWMQIJON-BZUAXINKSA-N 2 2 350.507 0.633 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013581 856766452 /nfs/dbraw/zinc/76/64/52/856766452.db2.gz GRHKQSWWMQIJON-BZUAXINKSA-N 2 2 350.507 0.633 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046402 856784349 /nfs/dbraw/zinc/78/43/49/856784349.db2.gz AUTKWFHAQKYMFD-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046402 856784354 /nfs/dbraw/zinc/78/43/54/856784354.db2.gz AUTKWFHAQKYMFD-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529938 857214231 /nfs/dbraw/zinc/21/42/31/857214231.db2.gz ZPDZAHQAZZFGDY-RBSFLKMASA-N 2 2 350.463 0.856 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001229038383 857246016 /nfs/dbraw/zinc/24/60/16/857246016.db2.gz SJTUIAJLWIHPOD-BPLDGKMQSA-N 2 2 356.492 0.650 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001229038383 857246024 /nfs/dbraw/zinc/24/60/24/857246024.db2.gz SJTUIAJLWIHPOD-BPLDGKMQSA-N 2 2 356.492 0.650 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnsn1 ZINC001229141633 857253346 /nfs/dbraw/zinc/25/33/46/857253346.db2.gz GFKPIAPQNMXWJB-HUUCEWRRSA-N 2 2 353.492 0.777 20 0 FCADLP COc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC001233304136 857381852 /nfs/dbraw/zinc/38/18/52/857381852.db2.gz BIYYKWLUKLWTGI-UHFFFAOYSA-N 2 2 356.492 0.022 20 0 FCADLP COc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC001233304136 857381857 /nfs/dbraw/zinc/38/18/57/857381857.db2.gz BIYYKWLUKLWTGI-UHFFFAOYSA-N 2 2 356.492 0.022 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(CC1=CS[C@H]([NH3+])N1)C2 ZINC001235278493 857421256 /nfs/dbraw/zinc/42/12/56/857421256.db2.gz XUCHLMSNLLEFCK-UPJWGTAASA-N 2 2 366.409 0.424 20 0 FCADLP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)O1 ZINC001235547908 857427785 /nfs/dbraw/zinc/42/77/85/857427785.db2.gz RJFPWVFDNHMCOW-RVKKMQEKSA-N 2 2 354.495 0.996 20 0 FCADLP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)O1 ZINC001235547908 857427790 /nfs/dbraw/zinc/42/77/90/857427790.db2.gz RJFPWVFDNHMCOW-RVKKMQEKSA-N 2 2 354.495 0.996 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235727782 857431590 /nfs/dbraw/zinc/43/15/90/857431590.db2.gz ZSEJHYRQHBQAOH-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235727782 857431592 /nfs/dbraw/zinc/43/15/92/857431592.db2.gz ZSEJHYRQHBQAOH-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235727782 857431593 /nfs/dbraw/zinc/43/15/93/857431593.db2.gz ZSEJHYRQHBQAOH-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235727782 857431595 /nfs/dbraw/zinc/43/15/95/857431595.db2.gz ZSEJHYRQHBQAOH-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP COC(=O)[C@]1(NS(=O)(=O)CC[NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC001238593724 857473870 /nfs/dbraw/zinc/47/38/70/857473870.db2.gz DBOTVTKUZVFVHQ-INIZCTEOSA-N 2 2 355.460 0.072 20 0 FCADLP COC(=O)[C@]1(NS(=O)(=O)CC[NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC001238593724 857473873 /nfs/dbraw/zinc/47/38/73/857473873.db2.gz DBOTVTKUZVFVHQ-INIZCTEOSA-N 2 2 355.460 0.072 20 0 FCADLP COc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1Br ZINC001238836924 857482749 /nfs/dbraw/zinc/48/27/49/857482749.db2.gz AMRYJINVRCTTHJ-UHFFFAOYSA-N 2 2 352.254 0.284 20 0 FCADLP COc1ccc(OC)c(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001239286199 857525476 /nfs/dbraw/zinc/52/54/76/857525476.db2.gz GDPDKBYZIAYQJQ-UHFFFAOYSA-N 2 2 351.451 0.320 20 0 FCADLP O[C@H](C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246000520 857563182 /nfs/dbraw/zinc/56/31/82/857563182.db2.gz PRJKOTDUFUPJBC-KRWDZBQOSA-N 3 2 351.466 0.860 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC001246102234 857569241 /nfs/dbraw/zinc/56/92/41/857569241.db2.gz SHFTVGGTWGCBLJ-ZWKOTPCHSA-N 3 2 366.531 0.174 20 0 FCADLP O=C([C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246138518 857569546 /nfs/dbraw/zinc/56/95/46/857569546.db2.gz JJVSPFAMVDNIPN-JYJNAYRXSA-N 3 2 368.547 0.388 20 0 FCADLP C[C@@H]1CC[C@@H]([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246275062 857572912 /nfs/dbraw/zinc/57/29/12/857572912.db2.gz DEKRVGRMVUDXKB-IAGOWNOFSA-N 2 2 366.531 0.723 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCNC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001251741920 857747960 /nfs/dbraw/zinc/74/79/60/857747960.db2.gz QPMSNOLGAYZGMD-HOCLYGCPSA-N 2 2 351.495 0.323 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCNC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001251741920 857747965 /nfs/dbraw/zinc/74/79/65/857747965.db2.gz QPMSNOLGAYZGMD-HOCLYGCPSA-N 2 2 351.495 0.323 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC001251932851 857770168 /nfs/dbraw/zinc/77/01/68/857770168.db2.gz OVYMGKBKPBEODO-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC001251932851 857770172 /nfs/dbraw/zinc/77/01/72/857770172.db2.gz OVYMGKBKPBEODO-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856046 857987869 /nfs/dbraw/zinc/98/78/69/857987869.db2.gz CVYFBWJPMVMIKH-LNLFQRSKSA-N 2 2 351.491 0.857 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856046 857987879 /nfs/dbraw/zinc/98/78/79/857987879.db2.gz CVYFBWJPMVMIKH-LNLFQRSKSA-N 2 2 351.491 0.857 20 0 FCADLP CN(C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1)S(=O)(=O)CC[NH3+] ZINC001254992285 857994187 /nfs/dbraw/zinc/99/41/87/857994187.db2.gz KZWRETFSQXESCI-ALOPSCKCSA-N 2 2 353.488 0.639 20 0 FCADLP CN(C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1)S(=O)(=O)CC[NH3+] ZINC001254992285 857994193 /nfs/dbraw/zinc/99/41/93/857994193.db2.gz KZWRETFSQXESCI-ALOPSCKCSA-N 2 2 353.488 0.639 20 0 FCADLP C[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1CC[NH3+] ZINC001262572291 859002978 /nfs/dbraw/zinc/00/29/78/859002978.db2.gz PYNHDMJVDYBOTM-ZBFHGGJFSA-N 2 2 374.551 0.654 20 0 FCADLP COC1(OC)CC(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001263085072 859095702 /nfs/dbraw/zinc/09/57/02/859095702.db2.gz OFVCXGVKZXMOII-OAHLLOKOSA-N 2 2 354.495 0.853 20 0 FCADLP COC1(OC)CC(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001263085072 859095705 /nfs/dbraw/zinc/09/57/05/859095705.db2.gz OFVCXGVKZXMOII-OAHLLOKOSA-N 2 2 354.495 0.853 20 0 FCADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001270175602 859677234 /nfs/dbraw/zinc/67/72/34/859677234.db2.gz HXCOREVUPGRXDB-UONOGXRCSA-N 2 2 367.412 0.148 20 0 FCADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2C[N@@H+](CCCC(F)(F)F)C[C@H]21 ZINC001270175602 859677238 /nfs/dbraw/zinc/67/72/38/859677238.db2.gz HXCOREVUPGRXDB-UONOGXRCSA-N 2 2 367.412 0.148 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001274371018 860739120 /nfs/dbraw/zinc/73/91/20/860739120.db2.gz UFEBJOTYOJSMRO-ROUUACIJSA-N 2 2 350.507 0.478 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001274371018 860739115 /nfs/dbraw/zinc/73/91/15/860739115.db2.gz UFEBJOTYOJSMRO-ROUUACIJSA-N 2 2 350.507 0.478 20 0 FCADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274908973 860869673 /nfs/dbraw/zinc/86/96/73/860869673.db2.gz QSAGOKYIJXDYKR-FQUUOJAGSA-N 2 2 365.396 0.306 20 0 FCADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274908973 860869676 /nfs/dbraw/zinc/86/96/76/860869676.db2.gz QSAGOKYIJXDYKR-FQUUOJAGSA-N 2 2 365.396 0.306 20 0 FCADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274908973 860869678 /nfs/dbraw/zinc/86/96/78/860869678.db2.gz QSAGOKYIJXDYKR-FQUUOJAGSA-N 2 2 365.396 0.306 20 0 FCADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001274908973 860869681 /nfs/dbraw/zinc/86/96/81/860869681.db2.gz QSAGOKYIJXDYKR-FQUUOJAGSA-N 2 2 365.396 0.306 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001275171948 860977700 /nfs/dbraw/zinc/97/77/00/860977700.db2.gz PKFZKOCAIWHZLI-XHSDSOJGSA-N 2 2 363.531 0.873 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001275171948 860977715 /nfs/dbraw/zinc/97/77/15/860977715.db2.gz PKFZKOCAIWHZLI-XHSDSOJGSA-N 2 2 363.531 0.873 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001275171948 860977727 /nfs/dbraw/zinc/97/77/27/860977727.db2.gz PKFZKOCAIWHZLI-XHSDSOJGSA-N 2 2 363.531 0.873 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001275171948 860977746 /nfs/dbraw/zinc/97/77/46/860977746.db2.gz PKFZKOCAIWHZLI-XHSDSOJGSA-N 2 2 363.531 0.873 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507314 861115650 /nfs/dbraw/zinc/11/56/50/861115650.db2.gz AIFYIIRUMBVLBM-LJQANCHMSA-N 3 2 354.539 0.687 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507314 861115657 /nfs/dbraw/zinc/11/56/57/861115657.db2.gz AIFYIIRUMBVLBM-LJQANCHMSA-N 3 2 354.539 0.687 20 0 FCADLP COC(=O)CNC(=S)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001280004510 863174440 /nfs/dbraw/zinc/17/44/40/863174440.db2.gz BLPBKVAHMFQTPF-SJORKVTESA-N 2 2 365.503 0.955 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3noc(COC)n3)C[C@H]2CC1 ZINC001280063782 863234018 /nfs/dbraw/zinc/23/40/18/863234018.db2.gz COSVRWQIXUDPSV-GASCZTMLSA-N 2 2 354.451 0.980 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3noc(COC)n3)C[C@H]2CC1 ZINC001280063782 863234034 /nfs/dbraw/zinc/23/40/34/863234034.db2.gz COSVRWQIXUDPSV-GASCZTMLSA-N 2 2 354.451 0.980 20 0 FCADLP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3noc(COC)n3)C[C@H]2CC1 ZINC001280063782 863234052 /nfs/dbraw/zinc/23/40/52/863234052.db2.gz COSVRWQIXUDPSV-GASCZTMLSA-N 2 2 354.451 0.980 20 0 FCADLP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3noc(COC)n3)C[C@H]2CC1 ZINC001280063782 863234073 /nfs/dbraw/zinc/23/40/73/863234073.db2.gz COSVRWQIXUDPSV-GASCZTMLSA-N 2 2 354.451 0.980 20 0 FCADLP COC1(CC(=O)N2CCO[C@H]3C[N@@H+](C4CC[NH+](C)CC4)C[C@@H]32)CCC1 ZINC001280070715 863240623 /nfs/dbraw/zinc/24/06/23/863240623.db2.gz YFAABDSPHPLXLB-IRXDYDNUSA-N 2 2 351.491 0.951 20 0 FCADLP COC1(CC(=O)N2CCO[C@H]3C[N@H+](C4CC[NH+](C)CC4)C[C@@H]32)CCC1 ZINC001280070715 863240630 /nfs/dbraw/zinc/24/06/30/863240630.db2.gz YFAABDSPHPLXLB-IRXDYDNUSA-N 2 2 351.491 0.951 20 0 FCADLP CC(C)NC(=O)N1CC2(C1)CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001280076342 863248098 /nfs/dbraw/zinc/24/80/98/863248098.db2.gz XQTXSSLCRZHLPQ-UHFFFAOYSA-N 2 2 351.495 0.276 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280188670 863318810 /nfs/dbraw/zinc/31/88/10/863318810.db2.gz IPZXZSXYKMDRKX-BBWFWOEESA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280188670 863318821 /nfs/dbraw/zinc/31/88/21/863318821.db2.gz IPZXZSXYKMDRKX-BBWFWOEESA-N 2 2 351.491 0.401 20 0 FCADLP O=C1C[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CN1C1CC1 ZINC001349567687 866380781 /nfs/dbraw/zinc/38/07/81/866380781.db2.gz BFOABLSHJZFNIM-MRXNPFEDSA-N 2 2 350.507 0.384 20 0 FCADLP O=C1C[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CN1C1CC1 ZINC001349567687 866380794 /nfs/dbraw/zinc/38/07/94/866380794.db2.gz BFOABLSHJZFNIM-MRXNPFEDSA-N 2 2 350.507 0.384 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001353339424 867400068 /nfs/dbraw/zinc/40/00/68/867400068.db2.gz KANNCPZZJXTBAN-KRWDZBQOSA-N 2 2 372.535 0.423 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001353508108 867439584 /nfs/dbraw/zinc/43/95/84/867439584.db2.gz WBFJTBZXUKHXGC-GFCCVEGCSA-N 2 2 353.492 0.732 20 0 FCADLP CN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[N@H+](C)C1 ZINC001355226834 867749403 /nfs/dbraw/zinc/74/94/03/867749403.db2.gz QZVYUGUQDNEQPO-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001355226834 867749418 /nfs/dbraw/zinc/74/94/18/867749418.db2.gz QZVYUGUQDNEQPO-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CNC(=O)CCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001320119889 868087499 /nfs/dbraw/zinc/08/74/99/868087499.db2.gz HOGRZEVRYNHUIU-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001357209252 868087457 /nfs/dbraw/zinc/08/74/57/868087457.db2.gz FWNGDRRUMJVNPK-KURKYZTESA-N 3 2 354.539 0.610 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001320490112 868185488 /nfs/dbraw/zinc/18/54/88/868185488.db2.gz KSYPATJFSZXNTK-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001320490112 868185493 /nfs/dbraw/zinc/18/54/93/868185493.db2.gz KSYPATJFSZXNTK-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322802800 868951332 /nfs/dbraw/zinc/95/13/32/868951332.db2.gz RERAXFHPTPQDEZ-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322802800 868951340 /nfs/dbraw/zinc/95/13/40/868951340.db2.gz RERAXFHPTPQDEZ-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001324387645 869567848 /nfs/dbraw/zinc/56/78/48/869567848.db2.gz UJSLSYCZFGPNNY-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001324387645 869567856 /nfs/dbraw/zinc/56/78/56/869567856.db2.gz UJSLSYCZFGPNNY-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCC(F)(F)F)CC2)CC1 ZINC001325506238 869917827 /nfs/dbraw/zinc/91/78/27/869917827.db2.gz KVFRHRFPWQYCJL-UHFFFAOYSA-N 2 2 364.412 0.730 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC001327206225 870716161 /nfs/dbraw/zinc/71/61/61/870716161.db2.gz MEOZUQLCZYMJTR-XJKSGUPXSA-N 2 2 371.507 0.453 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC001327206224 870716465 /nfs/dbraw/zinc/71/64/65/870716465.db2.gz MEOZUQLCZYMJTR-CZUORRHYSA-N 2 2 371.507 0.453 20 0 FCADLP C[C@H](C1CC1)N(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001327626153 870981389 /nfs/dbraw/zinc/98/13/89/870981389.db2.gz BHUZTSZVWAZTOD-CQSZACIVSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345541165 871401214 /nfs/dbraw/zinc/40/12/14/871401214.db2.gz UDKFAEIJRIIGAV-RHSMWYFYSA-N 2 2 350.507 0.966 20 0 FCADLP COCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001345706612 871465859 /nfs/dbraw/zinc/46/58/59/871465859.db2.gz PTYYQMZKKRHCLR-HNNXBMFYSA-N 2 2 352.483 0.460 20 0 FCADLP COCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001345706612 871465862 /nfs/dbraw/zinc/46/58/62/871465862.db2.gz PTYYQMZKKRHCLR-HNNXBMFYSA-N 2 2 352.483 0.460 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001346016368 871605030 /nfs/dbraw/zinc/60/50/30/871605030.db2.gz BKTJQORQRHYMEP-CVEARBPZSA-N 2 2 371.547 0.876 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001346016368 871605046 /nfs/dbraw/zinc/60/50/46/871605046.db2.gz BKTJQORQRHYMEP-CVEARBPZSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@]4(CCOC4=O)C3)C2)CC1 ZINC001346061719 871625909 /nfs/dbraw/zinc/62/59/09/871625909.db2.gz VJIILRNFASWGTL-KSSFIOAISA-N 2 2 350.463 0.504 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@]4(CCOC4=O)C3)C2)CC1 ZINC001346061719 871625911 /nfs/dbraw/zinc/62/59/11/871625911.db2.gz VJIILRNFASWGTL-KSSFIOAISA-N 2 2 350.463 0.504 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001329221414 871898612 /nfs/dbraw/zinc/89/86/12/871898612.db2.gz FBDCYNTVCKVVLL-RTXFEEFZSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001329221414 871898638 /nfs/dbraw/zinc/89/86/38/871898638.db2.gz FBDCYNTVCKVVLL-RTXFEEFZSA-N 2 2 364.412 0.558 20 0 FCADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c[nH+]1 ZINC001348647201 872751008 /nfs/dbraw/zinc/75/10/08/872751008.db2.gz YEBLHSYQGKTWCL-QGZVFWFLSA-N 2 2 350.488 0.868 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001331191537 873000888 /nfs/dbraw/zinc/00/08/88/873000888.db2.gz ILNXWJHHYGLGAD-CYBMUJFWSA-N 2 2 365.503 0.223 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@@H](CF)C3)CC2)CC1 ZINC001331665668 873187042 /nfs/dbraw/zinc/18/70/42/873187042.db2.gz KLBCABXUDALJNQ-AWEZNQCLSA-N 2 2 354.470 0.479 20 0 FCADLP [NH3+]Cc1nc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC001333262221 873881699 /nfs/dbraw/zinc/88/16/99/873881699.db2.gz PTQPCDCNVBGVAM-CYBMUJFWSA-N 2 2 353.492 0.128 20 0 FCADLP [NH3+]Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC001333262221 873881714 /nfs/dbraw/zinc/88/17/14/873881714.db2.gz PTQPCDCNVBGVAM-CYBMUJFWSA-N 2 2 353.492 0.128 20 0 FCADLP CN1CCO[C@H](C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826044184 947417426 /nfs/dbraw/zinc/41/74/26/947417426.db2.gz BJWPMSNYOUJKCM-GOSISDBHSA-N 2 2 371.489 0.751 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574923879 948960178 /nfs/dbraw/zinc/96/01/78/948960178.db2.gz SYTBVBFDIPVGSP-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574946600 949433364 /nfs/dbraw/zinc/43/33/64/949433364.db2.gz WNVWZOBOEBFGOZ-LLVKDONJSA-N 2 2 372.408 0.576 20 0 FCADLP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708274 949488103 /nfs/dbraw/zinc/48/81/03/949488103.db2.gz VEYUXXJMZDQRPG-SWLSCSKDSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708274 949488112 /nfs/dbraw/zinc/48/81/12/949488112.db2.gz VEYUXXJMZDQRPG-SWLSCSKDSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574715651 949660621 /nfs/dbraw/zinc/66/06/21/949660621.db2.gz JYEXXKMFHOEVSY-STQMWFEESA-N 2 2 369.433 0.790 20 0 FCADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575881835 949740049 /nfs/dbraw/zinc/74/00/49/949740049.db2.gz BTLQBFCITMZCMZ-TZMCWYRMSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574731402 950049812 /nfs/dbraw/zinc/04/98/12/950049812.db2.gz CZLBFQJVPYHRAP-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907575 950336924 /nfs/dbraw/zinc/33/69/24/950336924.db2.gz PFLBDTARNNRSER-WBMJQRKESA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196911 950370516 /nfs/dbraw/zinc/37/05/16/950370516.db2.gz IXYFMGJZEJQAFJ-AWEZNQCLSA-N 2 2 370.461 0.642 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196911 950370527 /nfs/dbraw/zinc/37/05/27/950370527.db2.gz IXYFMGJZEJQAFJ-AWEZNQCLSA-N 2 2 370.461 0.642 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205323 950506931 /nfs/dbraw/zinc/50/69/31/950506931.db2.gz XGHACIWMEGKFMK-CHWSQXEVSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576205323 950506944 /nfs/dbraw/zinc/50/69/44/950506944.db2.gz XGHACIWMEGKFMK-CHWSQXEVSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205571 950522107 /nfs/dbraw/zinc/52/21/07/950522107.db2.gz AVKYTFUBWOKGKM-KGLIPLIRSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205571 950522124 /nfs/dbraw/zinc/52/21/24/950522124.db2.gz AVKYTFUBWOKGKM-KGLIPLIRSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576205607 950530292 /nfs/dbraw/zinc/53/02/92/950530292.db2.gz KUDPXPLMUCYXMI-CYBMUJFWSA-N 2 2 358.450 0.332 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571027405 951494261 /nfs/dbraw/zinc/49/42/61/951494261.db2.gz IYTBSJLFESGUMK-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571027404 951494764 /nfs/dbraw/zinc/49/47/64/951494764.db2.gz IYTBSJLFESGUMK-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571038690 951646193 /nfs/dbraw/zinc/64/61/93/951646193.db2.gz UZTCUTJABCVZMI-CYBMUJFWSA-N 2 2 367.417 0.504 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571038699 951646267 /nfs/dbraw/zinc/64/62/67/951646267.db2.gz VBZJZMWKMSXXHE-UHFFFAOYSA-N 2 2 367.417 0.290 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080067 951703400 /nfs/dbraw/zinc/70/34/00/951703400.db2.gz KGDKEAJMVRWGQD-LBPRGKRZSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080472 951709569 /nfs/dbraw/zinc/70/95/69/951709569.db2.gz WSOITFNPFHEICU-GFCCVEGCSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103049 951873136 /nfs/dbraw/zinc/87/31/36/951873136.db2.gz RLUCKGSCLGWNAK-NSHDSACASA-N 2 2 372.408 0.814 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106241 951903277 /nfs/dbraw/zinc/90/32/77/951903277.db2.gz RJPGGSTZGJIJTH-CYBMUJFWSA-N 2 2 354.418 0.605 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107006 951911693 /nfs/dbraw/zinc/91/16/93/951911693.db2.gz XHRCCPUCMAUKSD-LBPRGKRZSA-N 2 2 354.418 0.674 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575147895 952202128 /nfs/dbraw/zinc/20/21/28/952202128.db2.gz WVGBNYHYQKBSTK-GFCCVEGCSA-N 2 2 369.433 0.309 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575147898 952202234 /nfs/dbraw/zinc/20/22/34/952202234.db2.gz WVGBNYHYQKBSTK-LBPRGKRZSA-N 2 2 369.433 0.309 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293112968 214146842 /nfs/dbraw/zinc/14/68/42/214146842.db2.gz YPMBOZWNBJQXNM-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293112968 214146845 /nfs/dbraw/zinc/14/68/45/214146845.db2.gz YPMBOZWNBJQXNM-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293112968 214146847 /nfs/dbraw/zinc/14/68/47/214146847.db2.gz YPMBOZWNBJQXNM-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293112968 214146849 /nfs/dbraw/zinc/14/68/49/214146849.db2.gz YPMBOZWNBJQXNM-YLJYHZDGSA-N 2 2 372.517 0.931 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CN1CC[NH+]1CCOCC1 ZINC000293645758 214189733 /nfs/dbraw/zinc/18/97/33/214189733.db2.gz OHBRRGZCZAPLKY-HNNXBMFYSA-N 2 2 374.441 0.040 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000293653519 214191087 /nfs/dbraw/zinc/19/10/87/214191087.db2.gz ISBORPQRSJHJNX-OAHLLOKOSA-N 2 2 372.473 0.723 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000293653519 214191092 /nfs/dbraw/zinc/19/10/92/214191092.db2.gz ISBORPQRSJHJNX-OAHLLOKOSA-N 2 2 372.473 0.723 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000294325407 214238116 /nfs/dbraw/zinc/23/81/16/214238116.db2.gz JCDBQWQFTGCVRE-ZDUSSCGKSA-N 2 2 350.467 0.672 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000294325407 214238117 /nfs/dbraw/zinc/23/81/17/214238117.db2.gz JCDBQWQFTGCVRE-ZDUSSCGKSA-N 2 2 350.467 0.672 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000295603387 214307061 /nfs/dbraw/zinc/30/70/61/214307061.db2.gz NGRSPFBMTYMYME-YESZJQIVSA-N 2 2 358.486 0.820 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000295603387 214307064 /nfs/dbraw/zinc/30/70/64/214307064.db2.gz NGRSPFBMTYMYME-YESZJQIVSA-N 2 2 358.486 0.820 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613058 529407913 /nfs/dbraw/zinc/40/79/13/529407913.db2.gz CROSPPPGTQTYDS-CVEARBPZSA-N 2 2 374.489 0.139 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613058 529407915 /nfs/dbraw/zinc/40/79/15/529407915.db2.gz CROSPPPGTQTYDS-CVEARBPZSA-N 2 2 374.489 0.139 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000413863792 529598134 /nfs/dbraw/zinc/59/81/34/529598134.db2.gz IKPQKDLGAYWEHO-ZWKOTPCHSA-N 2 2 371.522 0.681 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000413863792 529598136 /nfs/dbraw/zinc/59/81/36/529598136.db2.gz IKPQKDLGAYWEHO-ZWKOTPCHSA-N 2 2 371.522 0.681 20 0 FCADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)n(C)c1C ZINC000291019851 214009640 /nfs/dbraw/zinc/00/96/40/214009640.db2.gz AQGCIFSWHSSQDU-UHFFFAOYSA-N 2 2 350.463 0.762 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C[NH+]1CCOCC1 ZINC000265693286 210198868 /nfs/dbraw/zinc/19/88/68/210198868.db2.gz HEDHYTIEJDDVRN-AWEZNQCLSA-N 2 2 372.429 0.290 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]1C(C)(C)O ZINC000410615403 529903262 /nfs/dbraw/zinc/90/32/62/529903262.db2.gz PLOXGLCHPKJTGS-INIZCTEOSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]1C(C)(C)O ZINC000410615403 529903263 /nfs/dbraw/zinc/90/32/63/529903263.db2.gz PLOXGLCHPKJTGS-INIZCTEOSA-N 2 2 368.522 0.233 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000331572220 215017174 /nfs/dbraw/zinc/01/71/74/215017174.db2.gz DMJLTVHNGHFFIL-HOTGVXAUSA-N 2 2 351.495 0.454 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000331572125 215017212 /nfs/dbraw/zinc/01/72/12/215017212.db2.gz LSZXODZTWPWTNX-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000331572125 215017215 /nfs/dbraw/zinc/01/72/15/215017215.db2.gz LSZXODZTWPWTNX-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000331563165 215015798 /nfs/dbraw/zinc/01/57/98/215015798.db2.gz GPLKHTKEJUCIQX-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331602117 215021052 /nfs/dbraw/zinc/02/10/52/215021052.db2.gz QEOUJRPVEVKNRL-OAHLLOKOSA-N 2 2 353.463 0.052 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331602117 215021055 /nfs/dbraw/zinc/02/10/55/215021055.db2.gz QEOUJRPVEVKNRL-OAHLLOKOSA-N 2 2 353.463 0.052 20 0 FCADLP Cc1noc(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000331642061 215027814 /nfs/dbraw/zinc/02/78/14/215027814.db2.gz JKPXOXDHFFJOHY-UHFFFAOYSA-N 2 2 351.451 0.714 20 0 FCADLP Cc1noc(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000331642061 215027816 /nfs/dbraw/zinc/02/78/16/215027816.db2.gz JKPXOXDHFFJOHY-UHFFFAOYSA-N 2 2 351.451 0.714 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC000331682089 215033987 /nfs/dbraw/zinc/03/39/87/215033987.db2.gz SQQDDQFIVKOLJB-UHFFFAOYSA-N 2 2 350.467 0.151 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC000331682089 215033990 /nfs/dbraw/zinc/03/39/90/215033990.db2.gz SQQDDQFIVKOLJB-UHFFFAOYSA-N 2 2 350.467 0.151 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000331797781 215048801 /nfs/dbraw/zinc/04/88/01/215048801.db2.gz AOVWFUQQBCCWDC-UMVBOHGHSA-N 2 2 350.488 0.759 20 0 FCADLP CC(C)(CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[NH+]1CCOCC1 ZINC000265082399 210050226 /nfs/dbraw/zinc/05/02/26/210050226.db2.gz KCMXYEQNLWAYLN-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000265050913 210044850 /nfs/dbraw/zinc/04/48/50/210044850.db2.gz RQXLDZNVYMWMKW-INIZCTEOSA-N 2 2 363.462 0.021 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCSCC3)CC2)CC1 ZINC000332011236 215078230 /nfs/dbraw/zinc/07/82/30/215078230.db2.gz DEBFHUSYTAPKCO-UHFFFAOYSA-N 2 2 354.520 0.237 20 0 FCADLP C[C@@H]1OCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000332018933 215080462 /nfs/dbraw/zinc/08/04/62/215080462.db2.gz FJGHNTLPJMOAAL-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000332079435 215089257 /nfs/dbraw/zinc/08/92/57/215089257.db2.gz IHQGEOQHTMCSGR-UHFFFAOYSA-N 2 2 373.501 0.508 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000332067278 215086606 /nfs/dbraw/zinc/08/66/06/215086606.db2.gz SVHMAFSMLLBFIF-UHFFFAOYSA-N 2 2 374.489 0.389 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000332076359 215087376 /nfs/dbraw/zinc/08/73/76/215087376.db2.gz YSBZIXTUKPTCRX-KGLIPLIRSA-N 2 2 374.489 0.387 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000332087355 215091239 /nfs/dbraw/zinc/09/12/39/215091239.db2.gz SJTAZMVJUWRDPR-IAGOWNOFSA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332087355 215091241 /nfs/dbraw/zinc/09/12/41/215091241.db2.gz SJTAZMVJUWRDPR-IAGOWNOFSA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000332176214 215105640 /nfs/dbraw/zinc/10/56/40/215105640.db2.gz XKJWYMNPAYNZHH-HIFRSBDPSA-N 2 2 374.489 0.363 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000332255796 215116728 /nfs/dbraw/zinc/11/67/28/215116728.db2.gz CMQYCOQMGKKVSQ-AWEZNQCLSA-N 2 2 364.450 0.597 20 0 FCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000332255796 215116731 /nfs/dbraw/zinc/11/67/31/215116731.db2.gz CMQYCOQMGKKVSQ-AWEZNQCLSA-N 2 2 364.450 0.597 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000332256310 215117097 /nfs/dbraw/zinc/11/70/97/215117097.db2.gz AECMPVYUDOHFIS-RDJZCZTQSA-N 2 2 366.506 0.155 20 0 FCADLP NC(=O)[C@@]1(O)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332462586 215156310 /nfs/dbraw/zinc/15/63/10/215156310.db2.gz JRPGGPWMOFCXKN-QGZVFWFLSA-N 2 2 366.487 0.754 20 0 FCADLP NC(=O)[C@@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332462586 215156312 /nfs/dbraw/zinc/15/63/12/215156312.db2.gz JRPGGPWMOFCXKN-QGZVFWFLSA-N 2 2 366.487 0.754 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000332470115 215157143 /nfs/dbraw/zinc/15/71/43/215157143.db2.gz MUBWYWUNNBKDGK-KBPBESRZSA-N 2 2 350.488 0.774 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000332518252 215166715 /nfs/dbraw/zinc/16/67/15/215166715.db2.gz IRPSTKBPNZEYCU-HUUCEWRRSA-N 2 2 360.458 0.969 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000332533309 215171296 /nfs/dbraw/zinc/17/12/96/215171296.db2.gz HXYPTTRCVNUNNE-UKRRQHHQSA-N 2 2 360.462 0.162 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000332543724 215175592 /nfs/dbraw/zinc/17/55/92/215175592.db2.gz YQXNSEQAOYFLQK-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000332543724 215175596 /nfs/dbraw/zinc/17/55/96/215175596.db2.gz YQXNSEQAOYFLQK-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332550573 215176442 /nfs/dbraw/zinc/17/64/42/215176442.db2.gz PIOMQCLTXGOAEK-OAHLLOKOSA-N 2 2 359.474 0.497 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000332551154 215176873 /nfs/dbraw/zinc/17/68/73/215176873.db2.gz PRUGNTQWDLRLLW-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000332551154 215176874 /nfs/dbraw/zinc/17/68/74/215176874.db2.gz PRUGNTQWDLRLLW-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000332997913 215222036 /nfs/dbraw/zinc/22/20/36/215222036.db2.gz QTXWNQZIKCHSOQ-GVDBMIGSSA-N 2 2 354.495 0.459 20 0 FCADLP CN(C(=O)[C@H]1CCCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000333104722 215236686 /nfs/dbraw/zinc/23/66/86/215236686.db2.gz DIHSOXJOPVDGGX-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333297343 215260633 /nfs/dbraw/zinc/26/06/33/215260633.db2.gz ILMYMCSXCRDHEX-UHFFFAOYSA-N 2 2 355.552 0.551 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333297343 215260637 /nfs/dbraw/zinc/26/06/37/215260637.db2.gz ILMYMCSXCRDHEX-UHFFFAOYSA-N 2 2 355.552 0.551 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000333492681 215288480 /nfs/dbraw/zinc/28/84/80/215288480.db2.gz VCYJGKJPDWIDRK-CVEARBPZSA-N 2 2 374.489 0.709 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333638305 215303676 /nfs/dbraw/zinc/30/36/76/215303676.db2.gz HSQCYSWHOBPSGH-SZXPJGKVSA-N 2 2 371.547 0.921 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000333711722 215312336 /nfs/dbraw/zinc/31/23/36/215312336.db2.gz SLNWBOLFLRCJCO-BRWVUGGUSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333757178 215316339 /nfs/dbraw/zinc/31/63/39/215316339.db2.gz ZZJLQEUFQCBBEF-HZPDHXFCSA-N 2 2 351.495 0.467 20 0 FCADLP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333846552 215324164 /nfs/dbraw/zinc/32/41/64/215324164.db2.gz MLCAMMOXCYSKNM-HNNXBMFYSA-N 2 2 356.492 0.987 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333880177 215327124 /nfs/dbraw/zinc/32/71/24/215327124.db2.gz WAHFJKTUUHBKLK-LPHOPBHVSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000333876012 215327567 /nfs/dbraw/zinc/32/75/67/215327567.db2.gz VHQYGOMEBGJCMS-BRWVUGGUSA-N 2 2 365.522 0.713 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333897854 215329826 /nfs/dbraw/zinc/32/98/26/215329826.db2.gz IFHMWYSFALQXDE-QGZVFWFLSA-N 2 2 358.490 0.871 20 0 FCADLP Cc1ccn2cc(CNC(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)[nH+]c2c1 ZINC000333938689 215333534 /nfs/dbraw/zinc/33/35/34/215333534.db2.gz MRMAJQMVNIQCGH-INIZCTEOSA-N 2 2 370.457 0.749 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[NH+]1CCOCC1 ZINC000285652515 213373375 /nfs/dbraw/zinc/37/33/75/213373375.db2.gz OJJGBOWZBKUPFN-MRXNPFEDSA-N 2 2 373.457 0.424 20 0 FCADLP CCOC(=O)CCCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000361014199 215379306 /nfs/dbraw/zinc/37/93/06/215379306.db2.gz YMHHKRJVAXIQCI-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCOC(=O)CCCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000361014199 215379307 /nfs/dbraw/zinc/37/93/07/215379307.db2.gz YMHHKRJVAXIQCI-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)n1C ZINC000285370519 213332472 /nfs/dbraw/zinc/33/24/72/213332472.db2.gz VZBDIGZLHPEEBD-UHFFFAOYSA-N 2 2 359.434 0.116 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000285040732 213271505 /nfs/dbraw/zinc/27/15/05/213271505.db2.gz BPQWQVZDCLIOPT-MBMVNNNZSA-N 2 2 360.462 0.522 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000285040732 213271508 /nfs/dbraw/zinc/27/15/08/213271508.db2.gz BPQWQVZDCLIOPT-MBMVNNNZSA-N 2 2 360.462 0.522 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000284928305 213251875 /nfs/dbraw/zinc/25/18/75/213251875.db2.gz NMYZIUADRYJOGE-GDBMZVCRSA-N 2 2 368.441 0.436 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000284928305 213251878 /nfs/dbraw/zinc/25/18/78/213251878.db2.gz NMYZIUADRYJOGE-GDBMZVCRSA-N 2 2 368.441 0.436 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000284855898 213234533 /nfs/dbraw/zinc/23/45/33/213234533.db2.gz CPIMZNSJAPMPEU-UHFFFAOYSA-N 2 2 359.405 0.792 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000931185516 674098013 /nfs/dbraw/zinc/09/80/13/674098013.db2.gz NDFANKBKHQZDMV-KURKYZTESA-N 2 2 351.491 0.953 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c[nH+]1 ZINC000284493557 213153892 /nfs/dbraw/zinc/15/38/92/213153892.db2.gz IFHNFJDPVLCDEO-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284491484 213151740 /nfs/dbraw/zinc/15/17/40/213151740.db2.gz ICIPZVPCTRJTJN-UHFFFAOYSA-N 2 2 355.442 0.482 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284491484 213151746 /nfs/dbraw/zinc/15/17/46/213151746.db2.gz ICIPZVPCTRJTJN-UHFFFAOYSA-N 2 2 355.442 0.482 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000284393049 213128620 /nfs/dbraw/zinc/12/86/20/213128620.db2.gz VWIMVZAHRPXYOH-UHFFFAOYSA-N 2 2 363.462 0.021 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccco1 ZINC000284314772 213109766 /nfs/dbraw/zinc/10/97/66/213109766.db2.gz JDEDWVVJEZVZIG-AWEZNQCLSA-N 2 2 366.462 0.226 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccco1 ZINC000284314772 213109768 /nfs/dbraw/zinc/10/97/68/213109768.db2.gz JDEDWVVJEZVZIG-AWEZNQCLSA-N 2 2 366.462 0.226 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cn2cc(C)ccc2[nH+]1 ZINC000284217936 213099491 /nfs/dbraw/zinc/09/94/91/213099491.db2.gz COPLPUIJNJVJDQ-UHFFFAOYSA-N 2 2 359.474 0.865 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1(C)C ZINC000284153903 213085982 /nfs/dbraw/zinc/08/59/82/213085982.db2.gz YDLCPCIWHOHECI-UHFFFAOYSA-N 2 2 372.473 0.093 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1(C)C ZINC000284153903 213085983 /nfs/dbraw/zinc/08/59/83/213085983.db2.gz YDLCPCIWHOHECI-UHFFFAOYSA-N 2 2 372.473 0.093 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000284150703 213084956 /nfs/dbraw/zinc/08/49/56/213084956.db2.gz YYPUNGBAQNZLIA-CQSZACIVSA-N 2 2 361.421 0.775 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000284150703 213084959 /nfs/dbraw/zinc/08/49/59/213084959.db2.gz YYPUNGBAQNZLIA-CQSZACIVSA-N 2 2 361.421 0.775 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000284073777 213069119 /nfs/dbraw/zinc/06/91/19/213069119.db2.gz TWAMCBMUKOWJJE-GOEBONIOSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000284073777 213069121 /nfs/dbraw/zinc/06/91/21/213069121.db2.gz TWAMCBMUKOWJJE-GOEBONIOSA-N 2 2 355.442 0.893 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000284076175 213068693 /nfs/dbraw/zinc/06/86/93/213068693.db2.gz UXRZSIKAJQNLLG-CVEARBPZSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000284076175 213068696 /nfs/dbraw/zinc/06/86/96/213068696.db2.gz UXRZSIKAJQNLLG-CVEARBPZSA-N 2 2 369.469 0.951 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284071581 213068337 /nfs/dbraw/zinc/06/83/37/213068337.db2.gz TUGDICXRMIVLAQ-UHFFFAOYSA-N 2 2 361.421 0.729 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283979473 213048221 /nfs/dbraw/zinc/04/82/21/213048221.db2.gz MOYGAZHDOSBHQN-MRXNPFEDSA-N 2 2 357.458 0.984 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283979473 213048224 /nfs/dbraw/zinc/04/82/24/213048224.db2.gz MOYGAZHDOSBHQN-MRXNPFEDSA-N 2 2 357.458 0.984 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000283955243 213042629 /nfs/dbraw/zinc/04/26/29/213042629.db2.gz OESZKTLAEOEQHQ-HUUCEWRRSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000283955243 213042633 /nfs/dbraw/zinc/04/26/33/213042633.db2.gz OESZKTLAEOEQHQ-HUUCEWRRSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000283937996 213039034 /nfs/dbraw/zinc/03/90/34/213039034.db2.gz NOHHMISKQILVAJ-MRXNPFEDSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000283937996 213039037 /nfs/dbraw/zinc/03/90/37/213039037.db2.gz NOHHMISKQILVAJ-MRXNPFEDSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000283887750 213028048 /nfs/dbraw/zinc/02/80/48/213028048.db2.gz LONNUTJNMBYNIK-HNNXBMFYSA-N 2 2 373.457 0.645 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000283878743 213025014 /nfs/dbraw/zinc/02/50/14/213025014.db2.gz CNWCAYFWFZEACS-ZIAGYGMSSA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000283878743 213025019 /nfs/dbraw/zinc/02/50/19/213025019.db2.gz CNWCAYFWFZEACS-ZIAGYGMSSA-N 2 2 368.503 0.304 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000283786700 213008417 /nfs/dbraw/zinc/00/84/17/213008417.db2.gz GEBCVAOEADIDCA-HZPDHXFCSA-N 2 2 365.478 0.347 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000283786700 213008420 /nfs/dbraw/zinc/00/84/20/213008420.db2.gz GEBCVAOEADIDCA-HZPDHXFCSA-N 2 2 365.478 0.347 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000411924805 237107239 /nfs/dbraw/zinc/10/72/39/237107239.db2.gz QXXIWJWTHVTPSA-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000411924805 237107247 /nfs/dbraw/zinc/10/72/47/237107247.db2.gz QXXIWJWTHVTPSA-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000411986256 237131423 /nfs/dbraw/zinc/13/14/23/237131423.db2.gz FKBIHEKHESBFNA-RBUKOAKNSA-N 2 2 361.486 0.708 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000413235626 237297526 /nfs/dbraw/zinc/29/75/26/237297526.db2.gz JQBZMIJQCQHCBA-HZPDHXFCSA-N 2 2 372.510 0.084 20 0 FCADLP CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000366853825 216042002 /nfs/dbraw/zinc/04/20/02/216042002.db2.gz LTDXSMICHJJDDY-CYBMUJFWSA-N 2 2 370.475 0.086 20 0 FCADLP CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000366853825 216042003 /nfs/dbraw/zinc/04/20/03/216042003.db2.gz LTDXSMICHJJDDY-CYBMUJFWSA-N 2 2 370.475 0.086 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@@H](C)C1 ZINC000367591516 216140603 /nfs/dbraw/zinc/14/06/03/216140603.db2.gz ZWGSFUMLKONGGB-WNRNVDISSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@@H](C)C1 ZINC000367591516 216140607 /nfs/dbraw/zinc/14/06/07/216140607.db2.gz ZWGSFUMLKONGGB-WNRNVDISSA-N 2 2 368.522 0.726 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000367719244 216153901 /nfs/dbraw/zinc/15/39/01/216153901.db2.gz HVQAMDJKSIHLNQ-LJQANCHMSA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000367719244 216153906 /nfs/dbraw/zinc/15/39/06/216153906.db2.gz HVQAMDJKSIHLNQ-LJQANCHMSA-N 2 2 361.486 0.980 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000367850406 216171119 /nfs/dbraw/zinc/17/11/19/216171119.db2.gz QFMJEBPXWKZFQY-DOTOQJQBSA-N 2 2 363.462 0.246 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000367850406 216171123 /nfs/dbraw/zinc/17/11/23/216171123.db2.gz QFMJEBPXWKZFQY-DOTOQJQBSA-N 2 2 363.462 0.246 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000368020758 216194137 /nfs/dbraw/zinc/19/41/37/216194137.db2.gz PUPCQFQERCFRBE-NVXWUHKLSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000368020758 216194144 /nfs/dbraw/zinc/19/41/44/216194144.db2.gz PUPCQFQERCFRBE-NVXWUHKLSA-N 2 2 362.478 0.773 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067369 216197653 /nfs/dbraw/zinc/19/76/53/216197653.db2.gz WTUKKUUYVSWZLK-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067369 216197657 /nfs/dbraw/zinc/19/76/57/216197657.db2.gz WTUKKUUYVSWZLK-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCO1 ZINC000368067369 216197660 /nfs/dbraw/zinc/19/76/60/216197660.db2.gz WTUKKUUYVSWZLK-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCO1 ZINC000368067369 216197663 /nfs/dbraw/zinc/19/76/63/216197663.db2.gz WTUKKUUYVSWZLK-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1CCOC ZINC000368179429 216211643 /nfs/dbraw/zinc/21/16/43/216211643.db2.gz NRFWOWPYIGZXIP-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368179429 216211646 /nfs/dbraw/zinc/21/16/46/216211646.db2.gz NRFWOWPYIGZXIP-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179429 216211648 /nfs/dbraw/zinc/21/16/48/216211648.db2.gz NRFWOWPYIGZXIP-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179429 216211652 /nfs/dbraw/zinc/21/16/52/216211652.db2.gz NRFWOWPYIGZXIP-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000246152892 209378827 /nfs/dbraw/zinc/37/88/27/209378827.db2.gz MLMRPMVZQNBQFV-QAPCUYQASA-N 2 2 373.501 0.824 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000246152892 209378830 /nfs/dbraw/zinc/37/88/30/209378830.db2.gz MLMRPMVZQNBQFV-QAPCUYQASA-N 2 2 373.501 0.824 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245838727 209376515 /nfs/dbraw/zinc/37/65/15/209376515.db2.gz XRFUIKXAEAKSIM-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000245838727 209376519 /nfs/dbraw/zinc/37/65/19/209376519.db2.gz XRFUIKXAEAKSIM-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP [NH3+]Cc1nc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000238033046 209363245 /nfs/dbraw/zinc/36/32/45/209363245.db2.gz MLMGFGWGYGAHKY-UHFFFAOYSA-N 2 2 374.470 0.466 20 0 FCADLP [NH3+]CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000237872413 209359968 /nfs/dbraw/zinc/35/99/68/209359968.db2.gz FTXVXYSVGLOXDN-UHFFFAOYSA-N 2 2 373.270 0.781 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C[C@@H](C)O1 ZINC000368299456 216229030 /nfs/dbraw/zinc/22/90/30/216229030.db2.gz OSASVXHBUVDEIT-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C[C@@H](C)O1 ZINC000368299456 216229033 /nfs/dbraw/zinc/22/90/33/216229033.db2.gz OSASVXHBUVDEIT-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000237431583 209353200 /nfs/dbraw/zinc/35/32/00/209353200.db2.gz TUFYJMFFNSENAX-SJLPKXTDSA-N 2 2 358.486 0.712 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](CCOC(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000236809933 209344130 /nfs/dbraw/zinc/34/41/30/209344130.db2.gz MORIRCKSVFQPKP-UHFFFAOYSA-N 2 2 364.494 0.694 20 0 FCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000236691428 209342418 /nfs/dbraw/zinc/34/24/18/209342418.db2.gz HHVBZMSVSFUZGV-QAPCUYQASA-N 2 2 354.495 0.047 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000194021974 209322148 /nfs/dbraw/zinc/32/21/48/209322148.db2.gz HUHMRQVABBPPAD-RBUKOAKNSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000194021974 209322150 /nfs/dbraw/zinc/32/21/50/209322150.db2.gz HUHMRQVABBPPAD-RBUKOAKNSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194957585 209329515 /nfs/dbraw/zinc/32/95/15/209329515.db2.gz BXQNSJXYPVFCRV-ZACQAIPSSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000193608572 209315610 /nfs/dbraw/zinc/31/56/10/209315610.db2.gz VSMHMDFZIIWDGC-KDOFPFPSSA-N 2 2 360.458 0.572 20 0 FCADLP C[C@H]([NH3+])CCC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000193304696 209311779 /nfs/dbraw/zinc/31/17/79/209311779.db2.gz BSXJFUBJHMPYGC-ZDUSSCGKSA-N 2 2 354.476 0.689 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2C1 ZINC000192473289 209301705 /nfs/dbraw/zinc/30/17/05/209301705.db2.gz FCHOWKVDOOXIAZ-CALCHBBNSA-N 2 2 371.485 0.530 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2C1 ZINC000192473289 209301706 /nfs/dbraw/zinc/30/17/06/209301706.db2.gz FCHOWKVDOOXIAZ-CALCHBBNSA-N 2 2 371.485 0.530 20 0 FCADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000192102670 209296364 /nfs/dbraw/zinc/29/63/64/209296364.db2.gz UWYBXDVACXKDED-QWHCGFSZSA-N 2 2 354.476 0.545 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169758 216358074 /nfs/dbraw/zinc/35/80/74/216358074.db2.gz INGSOBUAYFTUDM-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169758 216358075 /nfs/dbraw/zinc/35/80/75/216358075.db2.gz INGSOBUAYFTUDM-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)COc3ccccc3)C2)CC1 ZINC000369257130 216371792 /nfs/dbraw/zinc/37/17/92/216371792.db2.gz QTSGABAJEBLFGN-INIZCTEOSA-N 2 2 374.485 0.466 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)COc3ccccc3)C2)CC1 ZINC000369257130 216371797 /nfs/dbraw/zinc/37/17/97/216371797.db2.gz QTSGABAJEBLFGN-INIZCTEOSA-N 2 2 374.485 0.466 20 0 FCADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369267916 216373635 /nfs/dbraw/zinc/37/36/35/216373635.db2.gz FPAUMEACJLJJRJ-SFHVURJKSA-N 2 2 361.486 0.975 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)Nc1ccc(Cl)cn1 ZINC000369271045 216373925 /nfs/dbraw/zinc/37/39/25/216373925.db2.gz NZFFDXAAUNCYKB-UHFFFAOYSA-N 2 2 368.865 0.833 20 0 FCADLP CN(CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ncnc2nc[nH]c21 ZINC000369272341 216374605 /nfs/dbraw/zinc/37/46/05/216374605.db2.gz BBWPCOZJXKKPBA-ZDUSSCGKSA-N 2 2 372.477 0.074 20 0 FCADLP CN(CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ncnc2nc[nH]c21 ZINC000369272341 216374606 /nfs/dbraw/zinc/37/46/06/216374606.db2.gz BBWPCOZJXKKPBA-ZDUSSCGKSA-N 2 2 372.477 0.074 20 0 FCADLP CN(CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ncnc2[nH]cnc21 ZINC000369272341 216374609 /nfs/dbraw/zinc/37/46/09/216374609.db2.gz BBWPCOZJXKKPBA-ZDUSSCGKSA-N 2 2 372.477 0.074 20 0 FCADLP CN(CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ncnc2[nH]cnc21 ZINC000369272341 216374610 /nfs/dbraw/zinc/37/46/10/216374610.db2.gz BBWPCOZJXKKPBA-ZDUSSCGKSA-N 2 2 372.477 0.074 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000369362954 216389699 /nfs/dbraw/zinc/38/96/99/216389699.db2.gz IHKOPUOSUCIXDP-CVEARBPZSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000369362954 216389700 /nfs/dbraw/zinc/38/97/00/216389700.db2.gz IHKOPUOSUCIXDP-CVEARBPZSA-N 2 2 366.506 0.949 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000189563566 209255927 /nfs/dbraw/zinc/25/59/27/209255927.db2.gz VCOYPTCJWAAUNM-MRXNPFEDSA-N 3 2 369.554 0.499 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000189563566 209255930 /nfs/dbraw/zinc/25/59/30/209255930.db2.gz VCOYPTCJWAAUNM-MRXNPFEDSA-N 3 2 369.554 0.499 20 0 FCADLP CCN1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000189182741 209246861 /nfs/dbraw/zinc/24/68/61/209246861.db2.gz YQWGPVAQMPGRMH-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000277780810 212397091 /nfs/dbraw/zinc/39/70/91/212397091.db2.gz LWSFZBAKMKZLFQ-AWEZNQCLSA-N 2 2 362.478 0.036 20 0 FCADLP C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000277780810 212397094 /nfs/dbraw/zinc/39/70/94/212397094.db2.gz LWSFZBAKMKZLFQ-AWEZNQCLSA-N 2 2 362.478 0.036 20 0 FCADLP [NH3+]Cc1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)co1 ZINC000188148583 209224381 /nfs/dbraw/zinc/22/43/81/209224381.db2.gz NXVNQJRZWMOPOQ-UHFFFAOYSA-N 2 2 357.414 0.602 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000187129135 209206709 /nfs/dbraw/zinc/20/67/09/209206709.db2.gz KEXFKHIPLGBSRB-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000187129135 209206712 /nfs/dbraw/zinc/20/67/12/209206712.db2.gz KEXFKHIPLGBSRB-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000186940573 209200756 /nfs/dbraw/zinc/20/07/56/209200756.db2.gz BQRVYJUABDFAJA-LMMKCTJWSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000186940573 209200760 /nfs/dbraw/zinc/20/07/60/209200760.db2.gz BQRVYJUABDFAJA-LMMKCTJWSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000186940573 209200763 /nfs/dbraw/zinc/20/07/63/209200763.db2.gz BQRVYJUABDFAJA-LMMKCTJWSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000186940573 209200765 /nfs/dbraw/zinc/20/07/65/209200765.db2.gz BQRVYJUABDFAJA-LMMKCTJWSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO ZINC000276211735 212187462 /nfs/dbraw/zinc/18/74/62/212187462.db2.gz OZWJXEPYZZVDRJ-JKSUJKDBSA-N 2 2 365.474 0.521 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO ZINC000276211735 212187466 /nfs/dbraw/zinc/18/74/66/212187466.db2.gz OZWJXEPYZZVDRJ-JKSUJKDBSA-N 2 2 365.474 0.521 20 0 FCADLP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275655704 212068399 /nfs/dbraw/zinc/06/83/99/212068399.db2.gz UTWDDIXXZLNVAV-ROUUACIJSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672927 209179413 /nfs/dbraw/zinc/17/94/13/209179413.db2.gz RNYBRBQQPFDHPJ-QWHCGFSZSA-N 2 2 374.489 0.703 20 0 FCADLP C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672927 209179414 /nfs/dbraw/zinc/17/94/14/209179414.db2.gz RNYBRBQQPFDHPJ-QWHCGFSZSA-N 2 2 374.489 0.703 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000372961300 216967658 /nfs/dbraw/zinc/96/76/58/216967658.db2.gz RVLJNXXJRMOCCR-UHFFFAOYSA-N 2 2 355.508 0.468 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000931482416 674116928 /nfs/dbraw/zinc/11/69/28/674116928.db2.gz UBMQQJANYHBQGB-UHFFFAOYSA-N 2 2 361.895 0.876 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000415082727 245344383 /nfs/dbraw/zinc/34/43/83/245344383.db2.gz ORKVWTYSSKKEDB-SFHVURJKSA-N 2 2 372.469 0.594 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)c1 ZINC000415194062 245360635 /nfs/dbraw/zinc/36/06/35/245360635.db2.gz XWIUXKJWNYVULY-QGZVFWFLSA-N 2 2 362.474 0.962 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](CC)C2)c1 ZINC000415194062 245360639 /nfs/dbraw/zinc/36/06/39/245360639.db2.gz XWIUXKJWNYVULY-QGZVFWFLSA-N 2 2 362.474 0.962 20 0 FCADLP C[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H]1C[NH3+] ZINC000415241257 245369159 /nfs/dbraw/zinc/36/91/59/245369159.db2.gz RUAMRQHVXUXVBS-HOCLYGCPSA-N 2 2 350.467 0.806 20 0 FCADLP [NH3+]C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000415242308 245369412 /nfs/dbraw/zinc/36/94/12/245369412.db2.gz UMHZZEUOICLGLA-INIZCTEOSA-N 2 2 350.467 0.854 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000415280368 245377665 /nfs/dbraw/zinc/37/76/65/245377665.db2.gz GGOMHDYXXASALL-GASCZTMLSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000415280368 245377677 /nfs/dbraw/zinc/37/76/77/245377677.db2.gz GGOMHDYXXASALL-GASCZTMLSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000415343559 245392606 /nfs/dbraw/zinc/39/26/06/245392606.db2.gz LQJXKIVDQJHBML-CABCVRRESA-N 2 2 360.458 0.839 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184382688 209161784 /nfs/dbraw/zinc/16/17/84/209161784.db2.gz QQDNNSPQSNNSJS-UHFFFAOYSA-N 2 2 364.494 0.413 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184382688 209161789 /nfs/dbraw/zinc/16/17/89/209161789.db2.gz QQDNNSPQSNNSJS-UHFFFAOYSA-N 2 2 364.494 0.413 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000275303361 212004599 /nfs/dbraw/zinc/00/45/99/212004599.db2.gz QILFAZWHBZJIQC-UHFFFAOYSA-N 2 2 373.501 0.407 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)CC1 ZINC000373867439 217069577 /nfs/dbraw/zinc/06/95/77/217069577.db2.gz ADZKZWWZGUFFNP-SHACYNPGSA-N 2 2 356.536 0.755 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)CC1 ZINC000373867439 217069580 /nfs/dbraw/zinc/06/95/80/217069580.db2.gz ADZKZWWZGUFFNP-SHACYNPGSA-N 2 2 356.536 0.755 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360388 217122258 /nfs/dbraw/zinc/12/22/58/217122258.db2.gz PEXJFENANZNCAM-HKUYNNGSSA-N 2 2 362.474 0.556 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360388 217122261 /nfs/dbraw/zinc/12/22/61/217122261.db2.gz PEXJFENANZNCAM-HKUYNNGSSA-N 2 2 362.474 0.556 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000374753244 217167590 /nfs/dbraw/zinc/16/75/90/217167590.db2.gz ZBWLLJMBUQNJOH-HOTGVXAUSA-N 2 2 351.495 0.465 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3c(sc4ncnc(N)c43)C2)CC1 ZINC000374871271 217183680 /nfs/dbraw/zinc/18/36/80/217183680.db2.gz DEUJYJCWWZAJAA-UHFFFAOYSA-N 2 2 360.487 0.796 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c(sc4ncnc(N)c43)C2)CC1 ZINC000374871271 217183681 /nfs/dbraw/zinc/18/36/81/217183681.db2.gz DEUJYJCWWZAJAA-UHFFFAOYSA-N 2 2 360.487 0.796 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)[C@H](C)C1 ZINC000375200566 217230862 /nfs/dbraw/zinc/23/08/62/217230862.db2.gz MUEAMVVGZUFQJO-CQSZACIVSA-N 2 2 363.462 0.998 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)[C@H](C)C1 ZINC000375200566 217230866 /nfs/dbraw/zinc/23/08/66/217230866.db2.gz MUEAMVVGZUFQJO-CQSZACIVSA-N 2 2 363.462 0.998 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299392 217247478 /nfs/dbraw/zinc/24/74/78/217247478.db2.gz HRUDYZOJXKSJAH-KXBFYZLASA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299392 217247481 /nfs/dbraw/zinc/24/74/81/217247481.db2.gz HRUDYZOJXKSJAH-KXBFYZLASA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375299392 217247485 /nfs/dbraw/zinc/24/74/85/217247485.db2.gz HRUDYZOJXKSJAH-KXBFYZLASA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375299392 217247486 /nfs/dbraw/zinc/24/74/86/217247486.db2.gz HRUDYZOJXKSJAH-KXBFYZLASA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299388 217246561 /nfs/dbraw/zinc/24/65/61/217246561.db2.gz HRUDYZOJXKSJAH-DNVCBOLYSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299388 217246564 /nfs/dbraw/zinc/24/65/64/217246564.db2.gz HRUDYZOJXKSJAH-DNVCBOLYSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375299388 217246565 /nfs/dbraw/zinc/24/65/65/217246565.db2.gz HRUDYZOJXKSJAH-DNVCBOLYSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375299388 217246567 /nfs/dbraw/zinc/24/65/67/217246567.db2.gz HRUDYZOJXKSJAH-DNVCBOLYSA-N 2 2 363.458 0.233 20 0 FCADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000181979740 209126850 /nfs/dbraw/zinc/12/68/50/209126850.db2.gz CGWCRTALXJZHLA-BRWVUGGUSA-N 2 2 351.491 0.857 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H](C)CC[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000375519081 217279193 /nfs/dbraw/zinc/27/91/93/217279193.db2.gz ICLLUOOFDAXSTL-KLHKWILBSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000375802012 217319634 /nfs/dbraw/zinc/31/96/34/217319634.db2.gz PTZVSTXSRZFDPL-IRXDYDNUSA-N 2 2 352.523 0.772 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376254083 217376444 /nfs/dbraw/zinc/37/64/44/217376444.db2.gz JLXPMGJVKVKQBF-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000376319016 217383358 /nfs/dbraw/zinc/38/33/58/217383358.db2.gz CEFWVTFHSANELJ-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419113490 245989100 /nfs/dbraw/zinc/98/91/00/245989100.db2.gz HAVGLCLMBYGFNL-HOCLYGCPSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1)C1CC1 ZINC000419130411 246004187 /nfs/dbraw/zinc/00/41/87/246004187.db2.gz BEOHEDIOUCXKSB-QGZVFWFLSA-N 2 2 369.469 0.986 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000419129471 246005065 /nfs/dbraw/zinc/00/50/65/246005065.db2.gz YEZFEJDCJROHCE-OAHLLOKOSA-N 2 2 355.442 0.410 20 0 FCADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419132316 246006922 /nfs/dbraw/zinc/00/69/22/246006922.db2.gz DRQKZZDFVDNTIO-INIZCTEOSA-N 2 2 355.442 0.610 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1c1ccccc1 ZINC000419220498 246060754 /nfs/dbraw/zinc/06/07/54/246060754.db2.gz BJDDCJPPHFEQIX-DLBZAZTESA-N 2 2 363.421 0.904 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c[nH+]2)CC1 ZINC000419209648 246054417 /nfs/dbraw/zinc/05/44/17/246054417.db2.gz TZNOSJQZXOMLQF-HNNXBMFYSA-N 2 2 359.474 0.754 20 0 FCADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@H]12 ZINC000419277632 246084328 /nfs/dbraw/zinc/08/43/28/246084328.db2.gz MGZXVSOORSQBPH-FGTMMUONSA-N 2 2 367.453 0.743 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[NH2+]1 ZINC000419264252 246078167 /nfs/dbraw/zinc/07/81/67/246078167.db2.gz AYESNTPDCXKLIJ-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419304162 246091757 /nfs/dbraw/zinc/09/17/57/246091757.db2.gz JGLACFFUHRGPLM-DLBZAZTESA-N 2 2 371.485 0.756 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000419316160 246095171 /nfs/dbraw/zinc/09/51/71/246095171.db2.gz WZESQBLHUZCTTL-IBGZPJMESA-N 2 2 359.474 0.885 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419319497 246097687 /nfs/dbraw/zinc/09/76/87/246097687.db2.gz ZOZSBAKXQZNPGG-UHFFFAOYSA-N 2 2 359.474 0.946 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CC1 ZINC000419295592 246089637 /nfs/dbraw/zinc/08/96/37/246089637.db2.gz ANZMZRQDBZNESR-MRXNPFEDSA-N 2 2 359.474 0.932 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)[nH+]c1 ZINC000419300619 246091464 /nfs/dbraw/zinc/09/14/64/246091464.db2.gz MHKYSYHDTVNKBS-HUUCEWRRSA-N 2 2 359.474 0.684 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000419659815 246233940 /nfs/dbraw/zinc/23/39/40/246233940.db2.gz ZQHKXLGDTPBQDC-UHFFFAOYSA-N 2 2 369.469 0.866 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000419623842 246221974 /nfs/dbraw/zinc/22/19/74/246221974.db2.gz GDROZEGJUVLRSK-AWEZNQCLSA-N 2 2 361.481 0.993 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000419623842 246221978 /nfs/dbraw/zinc/22/19/78/246221978.db2.gz GDROZEGJUVLRSK-AWEZNQCLSA-N 2 2 361.481 0.993 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCOCC1 ZINC000419677352 246243784 /nfs/dbraw/zinc/24/37/84/246243784.db2.gz COESNNJCOIVKOY-JKSUJKDBSA-N 2 2 368.522 0.640 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000419682659 246248265 /nfs/dbraw/zinc/24/82/65/246248265.db2.gz JTGJHGUDVWAOBL-CVEARBPZSA-N 2 2 362.474 0.199 20 0 FCADLP C[C@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000419682660 246248762 /nfs/dbraw/zinc/24/87/62/246248762.db2.gz JTGJHGUDVWAOBL-HOTGVXAUSA-N 2 2 362.474 0.199 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419801590 246298935 /nfs/dbraw/zinc/29/89/35/246298935.db2.gz KJMNZTWHJUTYMI-OAHLLOKOSA-N 2 2 361.490 0.979 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000419810534 246302856 /nfs/dbraw/zinc/30/28/56/246302856.db2.gz XGICSMZSKVNZLD-CQSZACIVSA-N 2 2 362.478 0.393 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000419732098 246274251 /nfs/dbraw/zinc/27/42/51/246274251.db2.gz RTLPNCMFHBXSDC-KRWDZBQOSA-N 2 2 367.453 0.764 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000419845518 246317902 /nfs/dbraw/zinc/31/79/02/246317902.db2.gz NZHCBLCYRQFQJY-HNNXBMFYSA-N 2 2 362.474 0.626 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000419855555 246326726 /nfs/dbraw/zinc/32/67/26/246326726.db2.gz CYUGNKXATMVFBK-GINYUPMKSA-N 2 2 356.470 0.698 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419862250 246332264 /nfs/dbraw/zinc/33/22/64/246332264.db2.gz QDNPFMGTHCGQGT-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419862250 246332269 /nfs/dbraw/zinc/33/22/69/246332269.db2.gz QDNPFMGTHCGQGT-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000419956729 246388818 /nfs/dbraw/zinc/38/88/18/246388818.db2.gz UPESHAVJZVAARN-SFHVURJKSA-N 2 2 358.486 0.898 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419974519 246397121 /nfs/dbraw/zinc/39/71/21/246397121.db2.gz JNNPFIIJQDHICF-QGZVFWFLSA-N 2 2 358.486 0.837 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000419938174 246379219 /nfs/dbraw/zinc/37/92/19/246379219.db2.gz WOAVXQXXPUQHNS-CVEARBPZSA-N 2 2 370.457 0.431 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1 ZINC000423380060 247014739 /nfs/dbraw/zinc/01/47/39/247014739.db2.gz GUMHETKVXZMYEX-AOIWGVFYSA-N 2 2 361.486 0.959 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000423389591 247017718 /nfs/dbraw/zinc/01/77/18/247017718.db2.gz VEVIYKBQNUUZGI-QGZVFWFLSA-N 2 2 360.458 0.909 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000423590062 247064744 /nfs/dbraw/zinc/06/47/44/247064744.db2.gz DENREUSLKBAOIE-HZPDHXFCSA-N 2 2 374.485 0.721 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423589945 247066169 /nfs/dbraw/zinc/06/61/69/247066169.db2.gz ANTVEKMGOWXTTR-CQSZACIVSA-N 2 2 350.488 0.603 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000423478580 247035344 /nfs/dbraw/zinc/03/53/44/247035344.db2.gz NIVUETXWFSQDJR-UONOGXRCSA-N 2 2 350.488 0.761 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423490086 247037749 /nfs/dbraw/zinc/03/77/49/247037749.db2.gz HMINLUZTLUHNHW-DOTOQJQBSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423688433 247111683 /nfs/dbraw/zinc/11/16/83/247111683.db2.gz WUYUNNVHDONQPN-NVXWUHKLSA-N 3 2 367.538 0.199 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423688433 247111688 /nfs/dbraw/zinc/11/16/88/247111688.db2.gz WUYUNNVHDONQPN-NVXWUHKLSA-N 3 2 367.538 0.199 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423600076 247070869 /nfs/dbraw/zinc/07/08/69/247070869.db2.gz XZEKBMOYSPVYAM-JKSUJKDBSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](C)C[NH2+]1 ZINC000423630414 247083264 /nfs/dbraw/zinc/08/32/64/247083264.db2.gz LGHCLTPQKXPSHY-ZIAGYGMSSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423631408 247083536 /nfs/dbraw/zinc/08/35/36/247083536.db2.gz ZUBRVWKFEBFUJV-RDJZCZTQSA-N 2 2 359.474 0.627 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423766701 247139361 /nfs/dbraw/zinc/13/93/61/247139361.db2.gz YGNUNYGGOOYCFL-MQVJKMGUSA-N 2 2 353.463 0.241 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423827730 247143818 /nfs/dbraw/zinc/14/38/18/247143818.db2.gz NSNZXNBRZODYAO-CJNGLKHVSA-N 2 2 356.829 0.806 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423827730 247143821 /nfs/dbraw/zinc/14/38/21/247143821.db2.gz NSNZXNBRZODYAO-CJNGLKHVSA-N 2 2 356.829 0.806 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423929039 247153450 /nfs/dbraw/zinc/15/34/50/247153450.db2.gz IDIKJOACJMKLSL-RYRKJORJSA-N 2 2 363.458 0.797 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423929039 247153454 /nfs/dbraw/zinc/15/34/54/247153454.db2.gz IDIKJOACJMKLSL-RYRKJORJSA-N 2 2 363.458 0.797 20 0 FCADLP C[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000423996715 247157759 /nfs/dbraw/zinc/15/77/59/247157759.db2.gz KPXGONFSGGRGNZ-SJORKVTESA-N 2 2 373.501 0.954 20 0 FCADLP O=C(C1C[NH2+]C1)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000424287456 247194589 /nfs/dbraw/zinc/19/45/89/247194589.db2.gz RIUBMUOSADNVLY-SFHVURJKSA-N 2 2 356.470 0.541 20 0 FCADLP C[C@@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000424043211 247162195 /nfs/dbraw/zinc/16/21/95/247162195.db2.gz FPNLDZYRFLFWJH-JCGIZDLHSA-N 2 2 362.449 0.535 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424217734 247178573 /nfs/dbraw/zinc/17/85/73/247178573.db2.gz NSLDGCCTYXXKEP-HZPDHXFCSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCc1cn3ccccc3[nH+]1)CC[NH2+]CC2 ZINC000424513739 247246143 /nfs/dbraw/zinc/24/61/43/247246143.db2.gz YDWQZVMJHBDPQR-AWEZNQCLSA-N 2 2 355.442 0.941 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424474674 247231226 /nfs/dbraw/zinc/23/12/26/247231226.db2.gz YFXSYVSGECDBTQ-CYBMUJFWSA-N 2 2 361.437 0.037 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1C ZINC000425331015 247326778 /nfs/dbraw/zinc/32/67/78/247326778.db2.gz AECKTIGVTRUBLY-UHFFFAOYSA-N 2 2 370.457 0.348 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000425399890 247334145 /nfs/dbraw/zinc/33/41/45/247334145.db2.gz JSHPDIOMZMBMGK-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425402004 247337129 /nfs/dbraw/zinc/33/71/29/247337129.db2.gz MNJSHKGALMOKQK-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP OC(C[NH+]1CCC[C@H](n2ccnn2)C1)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499395 247347250 /nfs/dbraw/zinc/34/72/50/247347250.db2.gz AQOKRIVVIYVOED-HOTGVXAUSA-N 2 2 360.466 0.205 20 0 FCADLP CC(C)[NH+](CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000435566338 248000504 /nfs/dbraw/zinc/00/05/04/248000504.db2.gz ARHNBIRYRYYFHQ-KRWDZBQOSA-N 2 2 358.527 0.830 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000435578445 248001830 /nfs/dbraw/zinc/00/18/30/248001830.db2.gz HXBRRMUQWBZEEC-BRWVUGGUSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000435578445 248001834 /nfs/dbraw/zinc/00/18/34/248001834.db2.gz HXBRRMUQWBZEEC-BRWVUGGUSA-N 2 2 356.511 0.584 20 0 FCADLP Cn1cc[nH+]c1CN(CC(=O)Nc1ccncc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695725 248009731 /nfs/dbraw/zinc/00/97/31/248009731.db2.gz SKBYDZXNKNDECU-INIZCTEOSA-N 2 2 354.458 0.820 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1C ZINC000438214918 248078772 /nfs/dbraw/zinc/07/87/72/248078772.db2.gz MOEGPLTZIYFISC-INIZCTEOSA-N 2 2 352.479 0.999 20 0 FCADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437340982 248065200 /nfs/dbraw/zinc/06/52/00/248065200.db2.gz DAXDEWLARWEKKE-SFHVURJKSA-N 2 2 360.527 0.965 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CN1CC[NH+]1CCOCC1 ZINC000440813657 248217058 /nfs/dbraw/zinc/21/70/58/248217058.db2.gz BJIXUTAGOMYQPS-LBPRGKRZSA-N 2 2 361.368 0.451 20 0 FCADLP C[C@@H]1CCNC(=O)[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000441180160 248240928 /nfs/dbraw/zinc/24/09/28/248240928.db2.gz MGMUEZKFNYUZBN-CJNGLKHVSA-N 2 2 351.495 0.369 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763216 248296012 /nfs/dbraw/zinc/29/60/12/248296012.db2.gz IHDFQZCUEQKQQQ-IAGOWNOFSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763216 248296015 /nfs/dbraw/zinc/29/60/15/248296015.db2.gz IHDFQZCUEQKQQQ-IAGOWNOFSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769615 248296558 /nfs/dbraw/zinc/29/65/58/248296558.db2.gz VUKMWNSBXSNBQV-QWHCGFSZSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769615 248296561 /nfs/dbraw/zinc/29/65/61/248296561.db2.gz VUKMWNSBXSNBQV-QWHCGFSZSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1CO ZINC000442897764 248298695 /nfs/dbraw/zinc/29/86/95/248298695.db2.gz YXXYBCSLHAZJFZ-LPHOPBHVSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1CO ZINC000442897764 248298697 /nfs/dbraw/zinc/29/86/97/248298697.db2.gz YXXYBCSLHAZJFZ-LPHOPBHVSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H](C)CO ZINC000443324717 248320556 /nfs/dbraw/zinc/32/05/56/248320556.db2.gz YNVDQCCHLBPYJZ-LSDHHAIUSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H](C)CO ZINC000443324717 248320559 /nfs/dbraw/zinc/32/05/59/248320559.db2.gz YNVDQCCHLBPYJZ-LSDHHAIUSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H](C)CO ZINC000443324713 248320990 /nfs/dbraw/zinc/32/09/90/248320990.db2.gz YNVDQCCHLBPYJZ-HUUCEWRRSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H](C)CO ZINC000443324713 248320993 /nfs/dbraw/zinc/32/09/93/248320993.db2.gz YNVDQCCHLBPYJZ-HUUCEWRRSA-N 2 2 355.504 0.456 20 0 FCADLP O=C(C[N@@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000444769196 248368000 /nfs/dbraw/zinc/36/80/00/248368000.db2.gz HRDJQMWOLVGSIC-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP O=C(C[N@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000444769196 248368005 /nfs/dbraw/zinc/36/80/05/248368005.db2.gz HRDJQMWOLVGSIC-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP CCO[C@@H]1C[C@@](CO)([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000444796289 248368386 /nfs/dbraw/zinc/36/83/86/248368386.db2.gz WGUJYVPQAHSFLR-BEFAXECRSA-N 2 2 371.522 0.369 20 0 FCADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)ccc21 ZINC000453702316 249357948 /nfs/dbraw/zinc/35/79/48/249357948.db2.gz UEHJUFPVJMWIQW-KRWDZBQOSA-N 2 2 360.458 0.311 20 0 FCADLP CCC[C@@H](C)C(=O)NCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458580097 249672217 /nfs/dbraw/zinc/67/22/17/249672217.db2.gz FIGZXQYCOVAKSP-OAHLLOKOSA-N 2 2 355.527 0.864 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270993443 211314740 /nfs/dbraw/zinc/31/47/40/211314740.db2.gz DRZOIIMJOHGMNW-OAHLLOKOSA-N 2 2 356.492 0.631 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000469796105 250004756 /nfs/dbraw/zinc/00/47/56/250004756.db2.gz CRAPMAKHNJZXNL-OWCLPIDISA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000469796105 250004761 /nfs/dbraw/zinc/00/47/61/250004761.db2.gz CRAPMAKHNJZXNL-OWCLPIDISA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470360983 250038920 /nfs/dbraw/zinc/03/89/20/250038920.db2.gz AJCJWKPUHCUECC-HNNXBMFYSA-N 2 2 372.469 0.295 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000471653470 250114523 /nfs/dbraw/zinc/11/45/23/250114523.db2.gz OLZBYUHEPTVIBT-INIZCTEOSA-N 2 2 360.524 0.072 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000472262480 250142421 /nfs/dbraw/zinc/14/24/21/250142421.db2.gz QVBVKXQRVNQLFI-HNNXBMFYSA-N 2 2 364.515 0.980 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000472262480 250142426 /nfs/dbraw/zinc/14/24/26/250142426.db2.gz QVBVKXQRVNQLFI-HNNXBMFYSA-N 2 2 364.515 0.980 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000472985243 250191749 /nfs/dbraw/zinc/19/17/49/250191749.db2.gz FFZLCXNSYCJECU-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000472985243 250191753 /nfs/dbraw/zinc/19/17/53/250191753.db2.gz FFZLCXNSYCJECU-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000269844665 211096893 /nfs/dbraw/zinc/09/68/93/211096893.db2.gz CMMHPKCCFFRMET-QGZVFWFLSA-N 2 2 351.451 0.030 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000473951630 250259817 /nfs/dbraw/zinc/25/98/17/250259817.db2.gz SURQTXYUHBIRFL-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000473951630 250259823 /nfs/dbraw/zinc/25/98/23/250259823.db2.gz SURQTXYUHBIRFL-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000480905565 250294145 /nfs/dbraw/zinc/29/41/45/250294145.db2.gz YZRCEHHJOIJBFI-ZIAGYGMSSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000480905565 250294149 /nfs/dbraw/zinc/29/41/49/250294149.db2.gz YZRCEHHJOIJBFI-ZIAGYGMSSA-N 2 2 357.524 0.775 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNc1nc(NC[C@](C)(O)C[NH+](C)C)c(Cl)c[nH+]1 ZINC000269762360 211069717 /nfs/dbraw/zinc/06/97/17/211069717.db2.gz FHOYVEWDDBWNLY-HOTGVXAUSA-N 3 2 374.917 0.579 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000481316368 250330915 /nfs/dbraw/zinc/33/09/15/250330915.db2.gz XHGROIHQWLJJFH-IKGGRYGDSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000481316368 250330921 /nfs/dbraw/zinc/33/09/21/250330921.db2.gz XHGROIHQWLJJFH-IKGGRYGDSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000482624621 250396617 /nfs/dbraw/zinc/39/66/17/250396617.db2.gz AFJQFFJUPMOTTJ-GDBMZVCRSA-N 2 2 371.503 0.281 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2ncc(=O)c3ccccc32)CC1 ZINC000481983308 250373462 /nfs/dbraw/zinc/37/34/62/250373462.db2.gz JWQFYHGHWLVRGW-UHFFFAOYSA-N 2 2 371.485 0.929 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000482028739 250375343 /nfs/dbraw/zinc/37/53/43/250375343.db2.gz GXYVPUJTEMDUGY-UHFFFAOYSA-N 2 2 367.494 0.239 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000269724477 211055034 /nfs/dbraw/zinc/05/50/34/211055034.db2.gz QUXUAXKHPWXKHG-OLZOCXBDSA-N 2 2 356.829 0.935 20 0 FCADLP COc1ncc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1C(N)=O ZINC000268548207 210817251 /nfs/dbraw/zinc/81/72/51/210817251.db2.gz MVMXWFMLTFUIFX-UHFFFAOYSA-N 2 2 364.450 0.337 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000073000843 208046642 /nfs/dbraw/zinc/04/66/42/208046642.db2.gz LLNWADHQWDAINI-KRWDZBQOSA-N 2 2 374.485 0.867 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC000066880739 208020332 /nfs/dbraw/zinc/02/03/32/208020332.db2.gz OJCKJAOJNOGQGV-OAHLLOKOSA-N 2 2 374.551 0.285 20 0 FCADLP O=C(C[NH+](CCO)CCO)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000072939731 208040845 /nfs/dbraw/zinc/04/08/45/208040845.db2.gz SLRUJPDJBQTKPM-QGZVFWFLSA-N 2 2 369.893 0.880 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000072801578 208040984 /nfs/dbraw/zinc/04/09/84/208040984.db2.gz LHXVVVNUVIQSIO-KRWDZBQOSA-N 2 2 353.507 0.842 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000072801578 208040993 /nfs/dbraw/zinc/04/09/93/208040993.db2.gz LHXVVVNUVIQSIO-KRWDZBQOSA-N 2 2 353.507 0.842 20 0 FCADLP CC[N@@H+](CC(=O)N1CCNC(=O)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108813 208064130 /nfs/dbraw/zinc/06/41/30/208064130.db2.gz ATYXJXUNTIBZBI-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP CC[N@H+](CC(=O)N1CCNC(=O)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108813 208064133 /nfs/dbraw/zinc/06/41/33/208064133.db2.gz ATYXJXUNTIBZBI-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077553904 208073309 /nfs/dbraw/zinc/07/33/09/208073309.db2.gz OJWNMXLXJQOFCZ-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000081237762 208098367 /nfs/dbraw/zinc/09/83/67/208098367.db2.gz DTQHQJZPVJSCLS-KRWDZBQOSA-N 2 2 360.458 0.536 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000081237762 208098370 /nfs/dbraw/zinc/09/83/70/208098370.db2.gz DTQHQJZPVJSCLS-KRWDZBQOSA-N 2 2 360.458 0.536 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000082985943 208104147 /nfs/dbraw/zinc/10/41/47/208104147.db2.gz HCIVYXLJCLZQJX-MOPGFXCFSA-N 2 2 361.486 0.803 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000082985943 208104154 /nfs/dbraw/zinc/10/41/54/208104154.db2.gz HCIVYXLJCLZQJX-MOPGFXCFSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(N4CCCNC4=O)CC3)cn2)CC1 ZINC000093669302 208156849 /nfs/dbraw/zinc/15/68/49/208156849.db2.gz SEHBPXXPRFUBQA-UHFFFAOYSA-N 2 2 373.505 0.608 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000103449151 208175817 /nfs/dbraw/zinc/17/58/17/208175817.db2.gz VOEQMPBIKHJLMI-UHFFFAOYSA-N 2 2 370.457 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(N)nc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000103481207 208178001 /nfs/dbraw/zinc/17/80/01/208178001.db2.gz SQFSEUALOFOXIO-OKILXGFUSA-N 2 2 363.510 0.841 20 0 FCADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(N)nc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000103481207 208178007 /nfs/dbraw/zinc/17/80/07/208178007.db2.gz SQFSEUALOFOXIO-OKILXGFUSA-N 2 2 363.510 0.841 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000105077882 208189210 /nfs/dbraw/zinc/18/92/10/208189210.db2.gz NEUUUZVBJMMZFH-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000105077882 208189214 /nfs/dbraw/zinc/18/92/14/208189214.db2.gz NEUUUZVBJMMZFH-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP CN(C(=O)[C@@H]1CCCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041203 208205711 /nfs/dbraw/zinc/20/57/11/208205711.db2.gz MNMLOQDVSRPKAV-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCCOc3ccccc3)C2)CC1 ZINC000107371441 208242014 /nfs/dbraw/zinc/24/20/14/208242014.db2.gz KTCRJPWODJOFAM-GOSISDBHSA-N 2 2 360.502 0.893 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCCOc3ccccc3)C2)CC1 ZINC000107371441 208242022 /nfs/dbraw/zinc/24/20/22/208242022.db2.gz KTCRJPWODJOFAM-GOSISDBHSA-N 2 2 360.502 0.893 20 0 FCADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000108368250 208245747 /nfs/dbraw/zinc/24/57/47/208245747.db2.gz ATAXNPPQEOJSFW-INIZCTEOSA-N 2 2 360.506 0.976 20 0 FCADLP C[N@H+](CCN1CC[NH+](CC(=O)N2CCNC2=O)CC1)Cc1ccccc1 ZINC000108865408 208250379 /nfs/dbraw/zinc/25/03/79/208250379.db2.gz BLCDMJCISIVRDZ-UHFFFAOYSA-N 2 2 359.474 0.288 20 0 FCADLP C[N@@H+](CCN1CC[NH+](CC(=O)N2CCNC2=O)CC1)Cc1ccccc1 ZINC000108865408 208250385 /nfs/dbraw/zinc/25/03/85/208250385.db2.gz BLCDMJCISIVRDZ-UHFFFAOYSA-N 2 2 359.474 0.288 20 0 FCADLP CCN(C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000109793320 208264198 /nfs/dbraw/zinc/26/41/98/208264198.db2.gz USFFNCNDBMWNMS-HNNXBMFYSA-N 2 2 354.476 0.556 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000120048449 208372336 /nfs/dbraw/zinc/37/23/36/208372336.db2.gz NUCDKPAIFOYFGC-XHSDSOJGSA-N 2 2 353.511 0.711 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000120048449 208372341 /nfs/dbraw/zinc/37/23/41/208372341.db2.gz NUCDKPAIFOYFGC-XHSDSOJGSA-N 2 2 353.511 0.711 20 0 FCADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266495003 210346143 /nfs/dbraw/zinc/34/61/43/210346143.db2.gz UFGDNYXSOZTASH-GOSISDBHSA-N 2 2 369.469 0.970 20 0 FCADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266495003 210346148 /nfs/dbraw/zinc/34/61/48/210346148.db2.gz UFGDNYXSOZTASH-GOSISDBHSA-N 2 2 369.469 0.970 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477472 210342979 /nfs/dbraw/zinc/34/29/79/210342979.db2.gz UKTYKVOFAFFGMA-OALUTQOASA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477472 210342981 /nfs/dbraw/zinc/34/29/81/210342981.db2.gz UKTYKVOFAFFGMA-OALUTQOASA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266477472 210342984 /nfs/dbraw/zinc/34/29/84/210342984.db2.gz UKTYKVOFAFFGMA-OALUTQOASA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266477472 210342989 /nfs/dbraw/zinc/34/29/89/210342989.db2.gz UKTYKVOFAFFGMA-OALUTQOASA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174642230 208965535 /nfs/dbraw/zinc/96/55/35/208965535.db2.gz AJBHATYKNOXEJC-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000176339334 209001501 /nfs/dbraw/zinc/00/15/01/209001501.db2.gz KGHPCKZYVQQGEA-QZTJIDSGSA-N 2 2 367.538 0.234 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413567950 533185162 /nfs/dbraw/zinc/18/51/62/533185162.db2.gz BUFBMISKDXQMSM-XUWVNRHRSA-N 2 2 359.536 0.825 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413567950 533185167 /nfs/dbraw/zinc/18/51/67/533185167.db2.gz BUFBMISKDXQMSM-XUWVNRHRSA-N 2 2 359.536 0.825 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CN1CC[NH+]1CCOCC1 ZINC000177351644 209022372 /nfs/dbraw/zinc/02/23/72/209022372.db2.gz LUZCPKOAKIEXKK-QGZVFWFLSA-N 2 2 370.453 0.963 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000177118107 209015787 /nfs/dbraw/zinc/01/57/87/209015787.db2.gz NTGDLSHDWCJRMJ-UHFFFAOYSA-N 2 2 367.515 0.987 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)CC1 ZINC000178172057 209044750 /nfs/dbraw/zinc/04/47/50/209044750.db2.gz BPBCYGPDEFTION-CQSZACIVSA-N 2 2 374.489 0.437 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000178439549 209050370 /nfs/dbraw/zinc/05/03/70/209050370.db2.gz JIFBQQGWGYEMST-YJBOKZPZSA-N 2 2 369.469 0.928 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000178803493 209061066 /nfs/dbraw/zinc/06/10/66/209061066.db2.gz HONATVDUFFKUOF-SZVBFZGTSA-N 2 2 374.485 0.372 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000178855434 209063557 /nfs/dbraw/zinc/06/35/57/209063557.db2.gz LYGFDMDXNABOOR-VQIMIIECSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000412470720 533253882 /nfs/dbraw/zinc/25/38/82/533253882.db2.gz ZAQWFXJULMAMAJ-INIZCTEOSA-N 2 2 370.563 0.337 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+](C)C1 ZINC000411764089 533474015 /nfs/dbraw/zinc/47/40/15/533474015.db2.gz WPHJXUBOZJQDDT-HNNXBMFYSA-N 2 2 374.441 0.134 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+](C)C1 ZINC000411764089 533474021 /nfs/dbraw/zinc/47/40/21/533474021.db2.gz WPHJXUBOZJQDDT-HNNXBMFYSA-N 2 2 374.441 0.134 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+](C)C1 ZINC000411764089 533474029 /nfs/dbraw/zinc/47/40/29/533474029.db2.gz WPHJXUBOZJQDDT-HNNXBMFYSA-N 2 2 374.441 0.134 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+](C)C1 ZINC000411764089 533474034 /nfs/dbraw/zinc/47/40/34/533474034.db2.gz WPHJXUBOZJQDDT-HNNXBMFYSA-N 2 2 374.441 0.134 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413509815 533491135 /nfs/dbraw/zinc/49/11/35/533491135.db2.gz YMJYRYICDZOYPN-ZDUSSCGKSA-N 2 2 351.476 0.571 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413509815 533491142 /nfs/dbraw/zinc/49/11/42/533491142.db2.gz YMJYRYICDZOYPN-ZDUSSCGKSA-N 2 2 351.476 0.571 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000179282560 209075518 /nfs/dbraw/zinc/07/55/18/209075518.db2.gz RAZWNKYSOCPGCQ-SFHVURJKSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000179291723 209075437 /nfs/dbraw/zinc/07/54/37/209075437.db2.gz HCSAFZPLIWDZIH-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000179282552 209076464 /nfs/dbraw/zinc/07/64/64/209076464.db2.gz RAZWNKYSOCPGCQ-GOSISDBHSA-N 2 2 367.538 0.519 20 0 FCADLP Cc1cc(O)cc(=O)n1CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000267886915 229391184 /nfs/dbraw/zinc/39/11/84/229391184.db2.gz YZUAFUBYXQCCDS-UHFFFAOYSA-N 2 2 364.490 0.737 20 0 FCADLP Cc1cc(O)cc(=O)n1CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000267886915 229391190 /nfs/dbraw/zinc/39/11/90/229391190.db2.gz YZUAFUBYXQCCDS-UHFFFAOYSA-N 2 2 364.490 0.737 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410441849 230082513 /nfs/dbraw/zinc/08/25/13/230082513.db2.gz YSODDZCPQMARGP-INIZCTEOSA-N 2 2 365.478 0.301 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410478221 230094453 /nfs/dbraw/zinc/09/44/53/230094453.db2.gz YQDYBWYFXKORQR-DLBZAZTESA-N 2 2 373.501 0.839 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000410478221 230094455 /nfs/dbraw/zinc/09/44/55/230094455.db2.gz YQDYBWYFXKORQR-DLBZAZTESA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410478224 230094581 /nfs/dbraw/zinc/09/45/81/230094581.db2.gz YQDYBWYFXKORQR-SJORKVTESA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000410478224 230094585 /nfs/dbraw/zinc/09/45/85/230094585.db2.gz YQDYBWYFXKORQR-SJORKVTESA-N 2 2 373.501 0.839 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H]1CC ZINC000410478075 230095453 /nfs/dbraw/zinc/09/54/53/230095453.db2.gz XUKXQAFMRAKSEZ-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H]1CC ZINC000410478075 230095457 /nfs/dbraw/zinc/09/54/57/230095457.db2.gz XUKXQAFMRAKSEZ-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H]1CC ZINC000410478075 230095459 /nfs/dbraw/zinc/09/54/59/230095459.db2.gz XUKXQAFMRAKSEZ-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H]1CC ZINC000410478075 230095461 /nfs/dbraw/zinc/09/54/61/230095461.db2.gz XUKXQAFMRAKSEZ-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410570418 230137738 /nfs/dbraw/zinc/13/77/38/230137738.db2.gz IILJKYRYNCTDGJ-INIZCTEOSA-N 2 2 373.501 0.898 20 0 FCADLP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000410834403 230267499 /nfs/dbraw/zinc/26/74/99/230267499.db2.gz KFIKVDJMTONICT-UHFFFAOYSA-N 2 2 368.522 0.357 20 0 FCADLP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000410834403 230267503 /nfs/dbraw/zinc/26/75/03/230267503.db2.gz KFIKVDJMTONICT-UHFFFAOYSA-N 2 2 368.522 0.357 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410893654 230293789 /nfs/dbraw/zinc/29/37/89/230293789.db2.gz ZIHTXGHMTNMPGT-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(C(=O)N3CC[NH+](CC)CC3)nc2)CC1 ZINC000006046603 487492295 /nfs/dbraw/zinc/49/22/95/487492295.db2.gz RKXPWMGZGFYGPM-UHFFFAOYSA-N 2 2 359.474 0.637 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)CC1 ZINC000301204251 488877164 /nfs/dbraw/zinc/87/71/64/488877164.db2.gz ROIWKWBREMGWMX-IRXDYDNUSA-N 2 2 360.506 0.654 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794824 491189445 /nfs/dbraw/zinc/18/94/45/491189445.db2.gz ROFRKPBQTBQOEL-ZFWWWQNUSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794824 491189446 /nfs/dbraw/zinc/18/94/46/491189446.db2.gz ROFRKPBQTBQOEL-ZFWWWQNUSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794824 491189449 /nfs/dbraw/zinc/18/94/49/491189449.db2.gz ROFRKPBQTBQOEL-ZFWWWQNUSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794824 491189451 /nfs/dbraw/zinc/18/94/51/491189451.db2.gz ROFRKPBQTBQOEL-ZFWWWQNUSA-N 3 2 351.520 0.779 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000287535422 488878880 /nfs/dbraw/zinc/87/88/80/488878880.db2.gz ZSSUHZOBHZBKFU-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000287535422 488878883 /nfs/dbraw/zinc/87/88/83/488878883.db2.gz ZSSUHZOBHZBKFU-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP NC(=O)c1c[nH+]ccc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000302029867 488886568 /nfs/dbraw/zinc/88/65/68/488886568.db2.gz MQGYPQUREMRACL-UHFFFAOYSA-N 2 2 354.414 0.889 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000302091461 488887806 /nfs/dbraw/zinc/88/78/06/488887806.db2.gz HAGJKSKOLRJLDO-SJORKVTESA-N 2 2 361.490 0.986 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000562795691 491189936 /nfs/dbraw/zinc/18/99/36/491189936.db2.gz RDVNXHVOMHNSQD-ZWKOTPCHSA-N 2 2 362.474 0.656 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995701 488909481 /nfs/dbraw/zinc/90/94/81/488909481.db2.gz CBICPGNRZGKINQ-HNAYVOBHSA-N 2 2 373.457 0.080 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995701 488909484 /nfs/dbraw/zinc/90/94/84/488909484.db2.gz CBICPGNRZGKINQ-HNAYVOBHSA-N 2 2 373.457 0.080 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279021847 488911081 /nfs/dbraw/zinc/91/10/81/488911081.db2.gz OTRUAQYPCFQTMB-AWEZNQCLSA-N 2 2 356.430 0.648 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279021852 488911329 /nfs/dbraw/zinc/91/13/29/488911329.db2.gz OTRUAQYPCFQTMB-CQSZACIVSA-N 2 2 356.430 0.648 20 0 FCADLP C[NH+]1CCC(CNC(=O)N2CCCO[C@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000562803852 491190410 /nfs/dbraw/zinc/19/04/10/491190410.db2.gz DZMONGKROLHJAZ-QGZVFWFLSA-N 3 2 367.538 0.696 20 0 FCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]CC2=CCCOC2)CC3)CC1 ZINC000328831025 488942214 /nfs/dbraw/zinc/94/22/14/488942214.db2.gz KUDZBMIEKCBBCH-INIZCTEOSA-N 2 2 373.501 0.769 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902908 488948562 /nfs/dbraw/zinc/94/85/62/488948562.db2.gz HEGUFZGHWIKFSF-ZWKOTPCHSA-N 2 2 373.563 0.538 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902908 488948564 /nfs/dbraw/zinc/94/85/64/488948564.db2.gz HEGUFZGHWIKFSF-ZWKOTPCHSA-N 2 2 373.563 0.538 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000328980678 488957552 /nfs/dbraw/zinc/95/75/52/488957552.db2.gz RLVHKTAOZCKBBC-IAGOWNOFSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000328980678 488957555 /nfs/dbraw/zinc/95/75/55/488957555.db2.gz RLVHKTAOZCKBBC-IAGOWNOFSA-N 2 2 361.490 0.564 20 0 FCADLP CC(C)(CNC(=O)CN1CC[NH+](Cc2ccco2)CC1)[NH+]1CCOCC1 ZINC000023467291 487636363 /nfs/dbraw/zinc/63/63/63/487636363.db2.gz JFKZTNXHVVGAKC-UHFFFAOYSA-N 2 2 364.490 0.624 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccs1 ZINC000043144002 487892888 /nfs/dbraw/zinc/89/28/88/487892888.db2.gz BOSSUYPFVVYPFU-AWEZNQCLSA-N 2 2 367.519 0.814 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000047617781 488038891 /nfs/dbraw/zinc/03/88/91/488038891.db2.gz QTMJFRFLJSAMAD-GOSISDBHSA-N 2 2 362.474 0.519 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000047617781 488038896 /nfs/dbraw/zinc/03/88/96/488038896.db2.gz QTMJFRFLJSAMAD-GOSISDBHSA-N 2 2 362.474 0.519 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000050797066 488113843 /nfs/dbraw/zinc/11/38/43/488113843.db2.gz NQLQBQPCYXCFAY-UHFFFAOYSA-N 2 2 374.485 0.839 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCC(=O)N3CCOCC3)CC2)CC1 ZINC000050802083 488115526 /nfs/dbraw/zinc/11/55/26/488115526.db2.gz DBRAHLHUMGFXIJ-UHFFFAOYSA-N 2 2 366.506 0.300 20 0 FCADLP CCNC(=O)CN1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051203674 488128070 /nfs/dbraw/zinc/12/80/70/488128070.db2.gz MJFYMYAJUXAMPZ-KRWDZBQOSA-N 2 2 373.501 0.768 20 0 FCADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762690 488144955 /nfs/dbraw/zinc/14/49/55/488144955.db2.gz IAAGYVCCOYCBBH-OAHLLOKOSA-N 2 2 364.465 0.878 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000052683481 488177531 /nfs/dbraw/zinc/17/75/31/488177531.db2.gz BVKBVHGMHPBBMD-HNNXBMFYSA-N 2 2 371.441 0.859 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000053048374 488191323 /nfs/dbraw/zinc/19/13/23/488191323.db2.gz RRXLHUPQFMXBCK-QGZVFWFLSA-N 2 2 372.513 0.972 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000053048374 488191326 /nfs/dbraw/zinc/19/13/26/488191326.db2.gz RRXLHUPQFMXBCK-QGZVFWFLSA-N 2 2 372.513 0.972 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000056895287 488261328 /nfs/dbraw/zinc/26/13/28/488261328.db2.gz UKAGQZXJDXPZKA-UHFFFAOYSA-N 2 2 370.457 0.836 20 0 FCADLP COCCCNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066666548 488334975 /nfs/dbraw/zinc/33/49/75/488334975.db2.gz BJUVJFHDDLDVGV-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP COCCCNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066666548 488334977 /nfs/dbraw/zinc/33/49/77/488334977.db2.gz BJUVJFHDDLDVGV-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000064657600 488314182 /nfs/dbraw/zinc/31/41/82/488314182.db2.gz MMLJRCKGKJTICI-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000554295034 491192235 /nfs/dbraw/zinc/19/22/35/491192235.db2.gz YLSHRVVBWOAAEI-UHFFFAOYSA-N 2 2 373.501 0.676 20 0 FCADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000554295034 491192236 /nfs/dbraw/zinc/19/22/36/491192236.db2.gz YLSHRVVBWOAAEI-UHFFFAOYSA-N 2 2 373.501 0.676 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067413573 488350419 /nfs/dbraw/zinc/35/04/19/488350419.db2.gz MVHALYXNRZKFLK-GOSISDBHSA-N 2 2 373.501 0.968 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067413573 488350421 /nfs/dbraw/zinc/35/04/21/488350421.db2.gz MVHALYXNRZKFLK-GOSISDBHSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000071952075 488377506 /nfs/dbraw/zinc/37/75/06/488377506.db2.gz RVFSERWQYZKTEQ-MRXNPFEDSA-N 2 2 352.504 0.857 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000073570104 488384925 /nfs/dbraw/zinc/38/49/25/488384925.db2.gz YOXOREUCELQWAC-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000562833005 491194680 /nfs/dbraw/zinc/19/46/80/491194680.db2.gz MRXKSXMWBHTDTA-UXBLZVDNSA-N 2 2 358.486 0.960 20 0 FCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860960 488399736 /nfs/dbraw/zinc/39/97/36/488399736.db2.gz POMFKYRWCAYETJ-KRWDZBQOSA-N 2 2 350.507 0.873 20 0 FCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860960 488399739 /nfs/dbraw/zinc/39/97/39/488399739.db2.gz POMFKYRWCAYETJ-KRWDZBQOSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860960 488399742 /nfs/dbraw/zinc/39/97/42/488399742.db2.gz POMFKYRWCAYETJ-KRWDZBQOSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860960 488399744 /nfs/dbraw/zinc/39/97/44/488399744.db2.gz POMFKYRWCAYETJ-KRWDZBQOSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000076003898 488400841 /nfs/dbraw/zinc/40/08/41/488400841.db2.gz GYIMYJRMYFHVQB-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000076003898 488400843 /nfs/dbraw/zinc/40/08/43/488400843.db2.gz GYIMYJRMYFHVQB-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185451201 488400881 /nfs/dbraw/zinc/40/08/81/488400881.db2.gz XCWSFQNRAVJHTM-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185451201 488400884 /nfs/dbraw/zinc/40/08/84/488400884.db2.gz XCWSFQNRAVJHTM-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000185648596 488402364 /nfs/dbraw/zinc/40/23/64/488402364.db2.gz VUZYUYDEZNZHOD-OAHLLOKOSA-N 2 2 362.478 0.524 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000185648596 488402367 /nfs/dbraw/zinc/40/23/67/488402367.db2.gz VUZYUYDEZNZHOD-OAHLLOKOSA-N 2 2 362.478 0.524 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000185648596 488402369 /nfs/dbraw/zinc/40/23/69/488402369.db2.gz VUZYUYDEZNZHOD-OAHLLOKOSA-N 2 2 362.478 0.524 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000185648596 488402372 /nfs/dbraw/zinc/40/23/72/488402372.db2.gz VUZYUYDEZNZHOD-OAHLLOKOSA-N 2 2 362.478 0.524 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000185825630 488403193 /nfs/dbraw/zinc/40/31/93/488403193.db2.gz USTFPZQAGSRDNY-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000185825630 488403196 /nfs/dbraw/zinc/40/31/96/488403196.db2.gz USTFPZQAGSRDNY-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000185825630 488403198 /nfs/dbraw/zinc/40/31/98/488403198.db2.gz USTFPZQAGSRDNY-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000185825630 488403200 /nfs/dbraw/zinc/40/32/00/488403200.db2.gz USTFPZQAGSRDNY-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000186300881 488405683 /nfs/dbraw/zinc/40/56/83/488405683.db2.gz ARODMTJWRRHJBU-QUCCMNQESA-N 2 2 374.529 0.682 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000077980663 488419809 /nfs/dbraw/zinc/41/98/09/488419809.db2.gz MXODPBHDLOPXSJ-GOSISDBHSA-N 2 2 373.501 0.716 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000077980663 488419811 /nfs/dbraw/zinc/41/98/11/488419811.db2.gz MXODPBHDLOPXSJ-GOSISDBHSA-N 2 2 373.501 0.716 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000077980663 488419812 /nfs/dbraw/zinc/41/98/12/488419812.db2.gz MXODPBHDLOPXSJ-GOSISDBHSA-N 2 2 373.501 0.716 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000077980663 488419814 /nfs/dbraw/zinc/41/98/14/488419814.db2.gz MXODPBHDLOPXSJ-GOSISDBHSA-N 2 2 373.501 0.716 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000191487117 488420143 /nfs/dbraw/zinc/42/01/43/488420143.db2.gz APUNELKXPNELDJ-MOPGFXCFSA-N 2 2 363.502 0.765 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000078505245 488422554 /nfs/dbraw/zinc/42/25/54/488422554.db2.gz WFXRNWPKFHOSAH-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000079124882 488427418 /nfs/dbraw/zinc/42/74/18/488427418.db2.gz YDLHYLZWKLAEKX-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000079124882 488427421 /nfs/dbraw/zinc/42/74/21/488427421.db2.gz YDLHYLZWKLAEKX-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000079167972 488428098 /nfs/dbraw/zinc/42/80/98/488428098.db2.gz VPAWCLMOLXJLGM-SFHVURJKSA-N 2 2 367.538 0.519 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000079167972 488428101 /nfs/dbraw/zinc/42/81/01/488428101.db2.gz VPAWCLMOLXJLGM-SFHVURJKSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000081255247 488440274 /nfs/dbraw/zinc/44/02/74/488440274.db2.gz DGBJMXRDTNHOBN-KRWDZBQOSA-N 2 2 359.474 0.278 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000081255247 488440276 /nfs/dbraw/zinc/44/02/76/488440276.db2.gz DGBJMXRDTNHOBN-KRWDZBQOSA-N 2 2 359.474 0.278 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)CC2)c1 ZINC000081385173 488441867 /nfs/dbraw/zinc/44/18/67/488441867.db2.gz GCZJCXGEWNARDJ-HXUWFJFHSA-N 2 2 373.545 0.869 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)CC2)c1 ZINC000081385173 488441870 /nfs/dbraw/zinc/44/18/70/488441870.db2.gz GCZJCXGEWNARDJ-HXUWFJFHSA-N 2 2 373.545 0.869 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000083700690 488447923 /nfs/dbraw/zinc/44/79/23/488447923.db2.gz JSPMFUJUQQHEDG-MSOLQXFVSA-N 2 2 370.538 0.831 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000236938073 488453790 /nfs/dbraw/zinc/45/37/90/488453790.db2.gz JZLYXKNNHIBVHE-QGZVFWFLSA-N 2 2 360.458 0.320 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCCC1 ZINC000237198683 488454845 /nfs/dbraw/zinc/45/48/45/488454845.db2.gz CYDYEMVDUGOALX-QGZVFWFLSA-N 2 2 374.485 0.770 20 0 FCADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237489264 488455709 /nfs/dbraw/zinc/45/57/09/488455709.db2.gz YSLURFUFXIQOGY-AWEZNQCLSA-N 2 2 364.877 0.977 20 0 FCADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237671546 488456550 /nfs/dbraw/zinc/45/65/50/488456550.db2.gz OUYFYLRMHFIGFP-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237671546 488456553 /nfs/dbraw/zinc/45/65/53/488456553.db2.gz OUYFYLRMHFIGFP-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP CC(=O)NC[C@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000246756997 488475300 /nfs/dbraw/zinc/47/53/00/488475300.db2.gz SRGHJYSMAIIFQL-IRXDYDNUSA-N 2 2 360.458 0.851 20 0 FCADLP CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000246756997 488475302 /nfs/dbraw/zinc/47/53/02/488475302.db2.gz SRGHJYSMAIIFQL-IRXDYDNUSA-N 2 2 360.458 0.851 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3([NH3+])CC3)cc2)CC1 ZINC000269264616 488484167 /nfs/dbraw/zinc/48/41/67/488484167.db2.gz YJSVFQOVLBPFJS-UHFFFAOYSA-N 2 2 374.485 0.380 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247382577 488485095 /nfs/dbraw/zinc/48/50/95/488485095.db2.gz FPOOFDNJSHDJQG-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247382577 488485097 /nfs/dbraw/zinc/48/50/97/488485097.db2.gz FPOOFDNJSHDJQG-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000247962044 488492046 /nfs/dbraw/zinc/49/20/46/488492046.db2.gz GJMZYTKYQDMCLH-WBVHZDCISA-N 2 2 351.447 0.396 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000247962044 488492048 /nfs/dbraw/zinc/49/20/48/488492048.db2.gz GJMZYTKYQDMCLH-WBVHZDCISA-N 2 2 351.447 0.396 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000103150337 488499416 /nfs/dbraw/zinc/49/94/16/488499416.db2.gz WIVQALJUYJNCFD-UHFFFAOYSA-N 2 2 369.469 0.706 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000103508570 488502829 /nfs/dbraw/zinc/50/28/29/488502829.db2.gz GNUBGUFGHHUEPM-ROUUACIJSA-N 2 2 369.554 0.813 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000105082197 488506927 /nfs/dbraw/zinc/50/69/27/488506927.db2.gz UZTUAMCYAHPPAJ-HOCLYGCPSA-N 2 2 350.463 0.928 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000105082197 488506929 /nfs/dbraw/zinc/50/69/29/488506929.db2.gz UZTUAMCYAHPPAJ-HOCLYGCPSA-N 2 2 350.463 0.928 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000249549805 488511526 /nfs/dbraw/zinc/51/15/26/488511526.db2.gz HMZHTJZABNFAFJ-FZKCQIBNSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000249549805 488511528 /nfs/dbraw/zinc/51/15/28/488511528.db2.gz HMZHTJZABNFAFJ-FZKCQIBNSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)C[C@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000249549805 488511529 /nfs/dbraw/zinc/51/15/29/488511529.db2.gz HMZHTJZABNFAFJ-FZKCQIBNSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)C[C@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000249549805 488511530 /nfs/dbraw/zinc/51/15/30/488511530.db2.gz HMZHTJZABNFAFJ-FZKCQIBNSA-N 2 2 354.495 0.175 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](CCO)[C@@H](C)C3)CC2)c1 ZINC000249604970 488513138 /nfs/dbraw/zinc/51/31/38/488513138.db2.gz ZKCQJQAFSXJTTG-IBGZPJMESA-N 2 2 374.529 0.638 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](CCO)[C@@H](C)C3)CC2)c1 ZINC000249604970 488513140 /nfs/dbraw/zinc/51/31/40/488513140.db2.gz ZKCQJQAFSXJTTG-IBGZPJMESA-N 2 2 374.529 0.638 20 0 FCADLP CC(C)C[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106525157 488515070 /nfs/dbraw/zinc/51/50/70/488515070.db2.gz GLDUZNSIRGYIGG-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106525157 488515071 /nfs/dbraw/zinc/51/50/71/488515071.db2.gz GLDUZNSIRGYIGG-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)NCC[NH+]1CCOCC1 ZINC000110028284 488525152 /nfs/dbraw/zinc/52/51/52/488525152.db2.gz IHDUHXUSUQMXAG-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)NCC[NH+]1CCOCC1 ZINC000110028284 488525154 /nfs/dbraw/zinc/52/51/54/488525154.db2.gz IHDUHXUSUQMXAG-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000261777830 488535750 /nfs/dbraw/zinc/53/57/50/488535750.db2.gz SALRCTLENAQMGG-INIZCTEOSA-N 2 2 369.473 0.354 20 0 FCADLP O=C(CC[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000261788488 488536170 /nfs/dbraw/zinc/53/61/70/488536170.db2.gz KDWQODUQBPNQDG-ROUUACIJSA-N 2 2 361.486 0.960 20 0 FCADLP O=S(=O)(NCC(F)(F)F)NC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261835195 488538064 /nfs/dbraw/zinc/53/80/64/488538064.db2.gz RNBUFIGVARVWEG-NSHDSACASA-N 2 2 358.430 0.437 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000271706277 488540781 /nfs/dbraw/zinc/54/07/81/488540781.db2.gz NLLUYKKJGRBSAS-UHFFFAOYSA-N 2 2 372.477 0.564 20 0 FCADLP C[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000261915249 488541497 /nfs/dbraw/zinc/54/14/97/488541497.db2.gz ZCLMWDCTCFFODK-INIZCTEOSA-N 2 2 358.486 0.559 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1C ZINC000261927345 488542150 /nfs/dbraw/zinc/54/21/50/488542150.db2.gz ZLXUQQPDGGNOMI-INIZCTEOSA-N 2 2 354.476 0.560 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1C ZINC000261927345 488542152 /nfs/dbraw/zinc/54/21/52/488542152.db2.gz ZLXUQQPDGGNOMI-INIZCTEOSA-N 2 2 354.476 0.560 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000554542824 491209194 /nfs/dbraw/zinc/20/91/94/491209194.db2.gz UAJBKCJBFLGOTJ-UHFFFAOYSA-N 2 2 371.445 0.658 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000261998684 488545070 /nfs/dbraw/zinc/54/50/70/488545070.db2.gz DJHFPDKHBNYHEJ-JKSUJKDBSA-N 2 2 361.421 0.864 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@@H]1CCCO1 ZINC000115846948 488545939 /nfs/dbraw/zinc/54/59/39/488545939.db2.gz MLRYULMVRAFPIH-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@@H]1CCCO1 ZINC000115846948 488545941 /nfs/dbraw/zinc/54/59/41/488545941.db2.gz MLRYULMVRAFPIH-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000118103104 488553429 /nfs/dbraw/zinc/55/34/29/488553429.db2.gz YGQOYOYUAKCHSS-GOSISDBHSA-N 2 2 374.485 0.914 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)N(CCO)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000119081852 488555261 /nfs/dbraw/zinc/55/52/61/488555261.db2.gz VTCJLYJGBCBIFW-IEBWSBKVSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119302446 488556690 /nfs/dbraw/zinc/55/66/90/488556690.db2.gz NSHFYJHYOJIHNK-FGTMMUONSA-N 2 2 370.538 0.689 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119302446 488556691 /nfs/dbraw/zinc/55/66/91/488556691.db2.gz NSHFYJHYOJIHNK-FGTMMUONSA-N 2 2 370.538 0.689 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000569942522 491205690 /nfs/dbraw/zinc/20/56/90/491205690.db2.gz YHPRITBXNVSYDS-SFHVURJKSA-N 3 2 361.490 0.668 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000569942522 491205692 /nfs/dbraw/zinc/20/56/92/491205692.db2.gz YHPRITBXNVSYDS-SFHVURJKSA-N 3 2 361.490 0.668 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1cccc(F)c1 ZINC000262338041 488564704 /nfs/dbraw/zinc/56/47/04/488564704.db2.gz FISACRRFYKEOSQ-OAHLLOKOSA-N 2 2 371.478 0.711 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[NH2+]1 ZINC000262333685 488564717 /nfs/dbraw/zinc/56/47/17/488564717.db2.gz FIJBDHZGDSEXBA-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]1 ZINC000262333685 488564719 /nfs/dbraw/zinc/56/47/19/488564719.db2.gz FIJBDHZGDSEXBA-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000121187114 488565149 /nfs/dbraw/zinc/56/51/49/488565149.db2.gz WNKXWBLEJQYJOR-INIZCTEOSA-N 2 2 374.489 0.512 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000121418661 488568191 /nfs/dbraw/zinc/56/81/91/488568191.db2.gz YRGZSYVAPAXGFW-UHFFFAOYSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000121506300 488568322 /nfs/dbraw/zinc/56/83/22/488568322.db2.gz GDUMEBRBBLUFQE-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000121506300 488568324 /nfs/dbraw/zinc/56/83/24/488568324.db2.gz GDUMEBRBBLUFQE-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936530 488573275 /nfs/dbraw/zinc/57/32/75/488573275.db2.gz PDNBMXBFRLTQJK-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936530 488573277 /nfs/dbraw/zinc/57/32/77/488573277.db2.gz PDNBMXBFRLTQJK-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H](C(N)=O)O1 ZINC000122083331 488574965 /nfs/dbraw/zinc/57/49/65/488574965.db2.gz LFFKUQPFFWIDLX-CRAIPNDOSA-N 2 2 374.485 0.473 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H](C(N)=O)O1 ZINC000122083331 488574968 /nfs/dbraw/zinc/57/49/68/488574968.db2.gz LFFKUQPFFWIDLX-CRAIPNDOSA-N 2 2 374.485 0.473 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000262531183 488575643 /nfs/dbraw/zinc/57/56/43/488575643.db2.gz OZYRTILINJEKHO-APWZRJJASA-N 2 2 370.497 0.856 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000262531183 488575645 /nfs/dbraw/zinc/57/56/45/488575645.db2.gz OZYRTILINJEKHO-APWZRJJASA-N 2 2 370.497 0.856 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000262543608 488576514 /nfs/dbraw/zinc/57/65/14/488576514.db2.gz SZWIGVBBQYFWSE-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000122237778 488576715 /nfs/dbraw/zinc/57/67/15/488576715.db2.gz XZKFHWSCIJSRIA-MOPGFXCFSA-N 2 2 373.545 0.949 20 0 FCADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000272463869 488582836 /nfs/dbraw/zinc/58/28/36/488582836.db2.gz OZYDJMDXCOMHDH-NVXWUHKLSA-N 2 2 367.515 0.651 20 0 FCADLP [NH3+]CC1(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000262677127 488586179 /nfs/dbraw/zinc/58/61/79/488586179.db2.gz RIKALYWHRPDEJR-MRXNPFEDSA-N 2 2 366.506 0.335 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000554573293 491210679 /nfs/dbraw/zinc/21/06/79/491210679.db2.gz WWCNDDNNYMQIJW-IRXDYDNUSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000554573293 491210682 /nfs/dbraw/zinc/21/06/82/491210682.db2.gz WWCNDDNNYMQIJW-IRXDYDNUSA-N 2 2 355.527 0.111 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262758557 488590872 /nfs/dbraw/zinc/59/08/72/488590872.db2.gz CJUCTUAHMHRJBD-SFHVURJKSA-N 2 2 372.469 0.087 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000554590293 491211525 /nfs/dbraw/zinc/21/15/25/491211525.db2.gz WXLCQUCELMCXNI-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000125951787 488605477 /nfs/dbraw/zinc/60/54/77/488605477.db2.gz RHYLUDHWBHJEAC-MRXNPFEDSA-N 2 2 369.473 0.886 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000263255754 488608172 /nfs/dbraw/zinc/60/81/72/488608172.db2.gz QPNBTJTUIPRNLT-BBRMVZONSA-N 2 2 356.417 0.783 20 0 FCADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000126340103 488608291 /nfs/dbraw/zinc/60/82/91/488608291.db2.gz BRVWVXNRJJEHAY-OWJWWREXSA-N 2 2 352.504 0.819 20 0 FCADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000263271444 488608327 /nfs/dbraw/zinc/60/83/27/488608327.db2.gz SFHOSKRVQUIRED-VQIMIIECSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000263643572 488615243 /nfs/dbraw/zinc/61/52/43/488615243.db2.gz CIVLKEWLNAPGGJ-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP COCCCNC(=O)[C@@H](C)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127339814 488616326 /nfs/dbraw/zinc/61/63/26/488616326.db2.gz IMZAONQIERGMMN-MRXNPFEDSA-N 2 2 351.495 0.740 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263753913 488624605 /nfs/dbraw/zinc/62/46/05/488624605.db2.gz UZXQWTMAELSBGJ-CABCVRRESA-N 2 2 350.467 0.514 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263753913 488624606 /nfs/dbraw/zinc/62/46/06/488624606.db2.gz UZXQWTMAELSBGJ-CABCVRRESA-N 2 2 350.467 0.514 20 0 FCADLP CN1CCO[C@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000130889249 488641424 /nfs/dbraw/zinc/64/14/24/488641424.db2.gz NOUINVFSWCBODQ-IRXDYDNUSA-N 2 2 359.474 0.135 20 0 FCADLP CN1CCO[C@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000130889249 488641426 /nfs/dbraw/zinc/64/14/26/488641426.db2.gz NOUINVFSWCBODQ-IRXDYDNUSA-N 2 2 359.474 0.135 20 0 FCADLP C[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[NH+]1CCSCC1 ZINC000130975271 488642205 /nfs/dbraw/zinc/64/22/05/488642205.db2.gz JTYBOAXOCPFLFQ-CQSZACIVSA-N 2 2 350.488 0.972 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000131203966 488643716 /nfs/dbraw/zinc/64/37/16/488643716.db2.gz ZRBUSBCXBBTEEJ-WBVHZDCISA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131203966 488643717 /nfs/dbraw/zinc/64/37/17/488643717.db2.gz ZRBUSBCXBBTEEJ-WBVHZDCISA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000264189718 488653501 /nfs/dbraw/zinc/65/35/01/488653501.db2.gz FDOQRKCHLYVEDN-OWCLPIDISA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000264189718 488653503 /nfs/dbraw/zinc/65/35/03/488653503.db2.gz FDOQRKCHLYVEDN-OWCLPIDISA-N 2 2 359.474 0.928 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCN(C)CC1 ZINC000264208507 488654667 /nfs/dbraw/zinc/65/46/67/488654667.db2.gz HFBJLOFRRMJIBG-KRWDZBQOSA-N 2 2 362.518 0.922 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133985091 488663793 /nfs/dbraw/zinc/66/37/93/488663793.db2.gz HBPZSWOOYTZOBY-PKOBYXMFSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133985091 488663795 /nfs/dbraw/zinc/66/37/95/488663795.db2.gz HBPZSWOOYTZOBY-PKOBYXMFSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000570097025 491216016 /nfs/dbraw/zinc/21/60/16/491216016.db2.gz XUWYXOGCWFVZHP-RDJZCZTQSA-N 2 2 358.486 0.758 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC000136102586 488676272 /nfs/dbraw/zinc/67/62/72/488676272.db2.gz BQBSBQITTAMODY-QGZVFWFLSA-N 2 2 360.506 0.768 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000137275245 488680856 /nfs/dbraw/zinc/68/08/56/488680856.db2.gz GKQHIOMAHGDJHR-UHFFFAOYSA-N 2 2 372.477 0.527 20 0 FCADLP CSCC[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000138079824 488681866 /nfs/dbraw/zinc/68/18/66/488681866.db2.gz TYIYZYPDBQWECM-OAHLLOKOSA-N 2 2 358.552 0.958 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC12CCOCC2 ZINC000563116089 491217570 /nfs/dbraw/zinc/21/75/70/491217570.db2.gz CWWFJDLUPJEQSW-QGZVFWFLSA-N 2 2 373.501 0.418 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000264685933 488698367 /nfs/dbraw/zinc/69/83/67/488698367.db2.gz CGRXFQAMVKYGPB-QGZVFWFLSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000264685933 488698368 /nfs/dbraw/zinc/69/83/68/488698368.db2.gz CGRXFQAMVKYGPB-QGZVFWFLSA-N 2 2 363.506 0.672 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151314507 488704484 /nfs/dbraw/zinc/70/44/84/488704484.db2.gz CTFOCEPEXBTLBI-UHFFFAOYSA-N 2 2 369.554 0.502 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151314507 488704485 /nfs/dbraw/zinc/70/44/85/488704485.db2.gz CTFOCEPEXBTLBI-UHFFFAOYSA-N 2 2 369.554 0.502 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000264820758 488716131 /nfs/dbraw/zinc/71/61/31/488716131.db2.gz HJLXCEVPWXHXNI-MRXNPFEDSA-N 2 2 365.547 0.864 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000264820758 488716132 /nfs/dbraw/zinc/71/61/32/488716132.db2.gz HJLXCEVPWXHXNI-MRXNPFEDSA-N 2 2 365.547 0.864 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1S(N)(=O)=O ZINC000152357853 488716540 /nfs/dbraw/zinc/71/65/40/488716540.db2.gz FIVVOBQHLJFRRA-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1S(N)(=O)=O ZINC000152357853 488716541 /nfs/dbraw/zinc/71/65/41/488716541.db2.gz FIVVOBQHLJFRRA-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1S(N)(=O)=O ZINC000152357853 488716543 /nfs/dbraw/zinc/71/65/43/488716543.db2.gz FIVVOBQHLJFRRA-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1S(N)(=O)=O ZINC000152357853 488716544 /nfs/dbraw/zinc/71/65/44/488716544.db2.gz FIVVOBQHLJFRRA-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cn2)CC1 ZINC000563136354 491219172 /nfs/dbraw/zinc/21/91/72/491219172.db2.gz ZBGNXLHOGKUURN-KRWDZBQOSA-N 3 2 360.506 0.416 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cn2)CC1 ZINC000563136354 491219175 /nfs/dbraw/zinc/21/91/75/491219175.db2.gz ZBGNXLHOGKUURN-KRWDZBQOSA-N 3 2 360.506 0.416 20 0 FCADLP COC(=O)CCNC(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154046908 488737787 /nfs/dbraw/zinc/73/77/87/488737787.db2.gz VCSPAXIEGQOKHU-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCSC1 ZINC000154118786 488738564 /nfs/dbraw/zinc/73/85/64/488738564.db2.gz XYQLLIFZKYFTAQ-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCSC1 ZINC000154118786 488738565 /nfs/dbraw/zinc/73/85/65/488738565.db2.gz XYQLLIFZKYFTAQ-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000266912542 488743142 /nfs/dbraw/zinc/74/31/42/488743142.db2.gz JHGYWCLOOWMMHV-UHFFFAOYSA-N 2 2 372.429 0.899 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266921354 488744249 /nfs/dbraw/zinc/74/42/49/488744249.db2.gz LZGUTOMRAWIXMJ-LBPRGKRZSA-N 2 2 363.443 0.875 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266921354 488744250 /nfs/dbraw/zinc/74/42/50/488744250.db2.gz LZGUTOMRAWIXMJ-LBPRGKRZSA-N 2 2 363.443 0.875 20 0 FCADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266934640 488745955 /nfs/dbraw/zinc/74/59/55/488745955.db2.gz PNZZYCYCOFVOQA-LSDHHAIUSA-N 2 2 362.478 0.947 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266934639 488745982 /nfs/dbraw/zinc/74/59/82/488745982.db2.gz PNZZYCYCOFVOQA-HUUCEWRRSA-N 2 2 362.478 0.947 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1n1cc[nH+]c1 ZINC000155053334 488750153 /nfs/dbraw/zinc/75/01/53/488750153.db2.gz HHWNWGBTPDFEMM-CABCVRRESA-N 2 2 373.461 0.689 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)nc[nH+]2)CC1=O ZINC000274979782 488750171 /nfs/dbraw/zinc/75/01/71/488750171.db2.gz ZCWRKHVMFDJRMY-OAHLLOKOSA-N 2 2 374.489 0.668 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]cn2)CC1=O ZINC000274979782 488750173 /nfs/dbraw/zinc/75/01/73/488750173.db2.gz ZCWRKHVMFDJRMY-OAHLLOKOSA-N 2 2 374.489 0.668 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000155929035 488760219 /nfs/dbraw/zinc/76/02/19/488760219.db2.gz WPTHOAKGZZPHTM-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)O1 ZINC000275122675 488764013 /nfs/dbraw/zinc/76/40/13/488764013.db2.gz JCKCRKYKEUPNTH-WCVJEAGWSA-N 2 2 374.445 0.337 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156501859 488765734 /nfs/dbraw/zinc/76/57/34/488765734.db2.gz NWPMEJFIQICZHD-RDJZCZTQSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156501859 488765735 /nfs/dbraw/zinc/76/57/35/488765735.db2.gz NWPMEJFIQICZHD-RDJZCZTQSA-N 2 2 359.474 0.847 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)CC1 ZINC000275199233 488771864 /nfs/dbraw/zinc/77/18/64/488771864.db2.gz FOUDWTDOMDFLNB-QGZVFWFLSA-N 2 2 352.866 0.794 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000158476528 488778441 /nfs/dbraw/zinc/77/84/41/488778441.db2.gz TVKILUYBNKKONP-IAGOWNOFSA-N 2 2 352.523 0.630 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000158476528 488778444 /nfs/dbraw/zinc/77/84/44/488778444.db2.gz TVKILUYBNKKONP-IAGOWNOFSA-N 2 2 352.523 0.630 20 0 FCADLP CN1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@@H]21 ZINC000158870048 488781080 /nfs/dbraw/zinc/78/10/80/488781080.db2.gz JTOAREQMZKEOFC-ZWKOTPCHSA-N 2 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)CC2)CC1 ZINC000158870048 488781083 /nfs/dbraw/zinc/78/10/83/488781083.db2.gz JTOAREQMZKEOFC-ZWKOTPCHSA-N 3 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)CC2)CC1 ZINC000158870048 488781084 /nfs/dbraw/zinc/78/10/84/488781084.db2.gz JTOAREQMZKEOFC-ZWKOTPCHSA-N 3 2 365.522 0.269 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000267418468 488785045 /nfs/dbraw/zinc/78/50/45/488785045.db2.gz CBWQNQVDSHKKBQ-KGLIPLIRSA-N 2 2 368.503 0.537 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000267522710 488793816 /nfs/dbraw/zinc/79/38/16/488793816.db2.gz QHCQUAFMLRXTHQ-QGZVFWFLSA-N 2 2 373.501 0.852 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000267522710 488793819 /nfs/dbraw/zinc/79/38/19/488793819.db2.gz QHCQUAFMLRXTHQ-QGZVFWFLSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C[NH+]1CCOCC1 ZINC000163539890 488807792 /nfs/dbraw/zinc/80/77/92/488807792.db2.gz QJSGCTAPFWWJOF-KRWDZBQOSA-N 2 2 361.490 0.877 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]([NH3+])C(C)C)c2)CC1 ZINC000163583272 488808557 /nfs/dbraw/zinc/80/85/57/488808557.db2.gz ISMIDUFQEHLCAL-INIZCTEOSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000163760923 488809108 /nfs/dbraw/zinc/80/91/08/488809108.db2.gz DIYAFOGZUCWGHB-IRXDYDNUSA-N 2 2 350.507 0.779 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]1CO)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000170643907 488814767 /nfs/dbraw/zinc/81/47/67/488814767.db2.gz QENZRRIKLLUHLI-GOSISDBHSA-N 2 2 359.470 0.722 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]1CO)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000170643907 488814768 /nfs/dbraw/zinc/81/47/68/488814768.db2.gz QENZRRIKLLUHLI-GOSISDBHSA-N 2 2 359.470 0.722 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171099432 488819737 /nfs/dbraw/zinc/81/97/37/488819737.db2.gz OQAZWEZMRGZVQK-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171099432 488819738 /nfs/dbraw/zinc/81/97/38/488819738.db2.gz OQAZWEZMRGZVQK-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171099432 488819739 /nfs/dbraw/zinc/81/97/39/488819739.db2.gz OQAZWEZMRGZVQK-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171099432 488819740 /nfs/dbraw/zinc/81/97/40/488819740.db2.gz OQAZWEZMRGZVQK-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP COCC[N@H+](C)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171193040 488820780 /nfs/dbraw/zinc/82/07/80/488820780.db2.gz KVHLVUFLLCSMHE-GOSISDBHSA-N 2 2 364.490 0.937 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171193040 488820782 /nfs/dbraw/zinc/82/07/82/488820782.db2.gz KVHLVUFLLCSMHE-GOSISDBHSA-N 2 2 364.490 0.937 20 0 FCADLP CC[C@H](C)C[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171948872 488829110 /nfs/dbraw/zinc/82/91/10/488829110.db2.gz ARNOMSFFQPMZIS-AWEZNQCLSA-N 2 2 359.478 0.990 20 0 FCADLP CC[C@H](C)C[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171948872 488829112 /nfs/dbraw/zinc/82/91/12/488829112.db2.gz ARNOMSFFQPMZIS-AWEZNQCLSA-N 2 2 359.478 0.990 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000171978752 488829649 /nfs/dbraw/zinc/82/96/49/488829649.db2.gz KTQABQSCBOVFKS-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000171978752 488829648 /nfs/dbraw/zinc/82/96/48/488829648.db2.gz KTQABQSCBOVFKS-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000172522373 488834651 /nfs/dbraw/zinc/83/46/51/488834651.db2.gz FCCHHMIAURXAFF-SJORKVTESA-N 2 2 356.511 0.611 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000172522373 488834652 /nfs/dbraw/zinc/83/46/52/488834652.db2.gz FCCHHMIAURXAFF-SJORKVTESA-N 2 2 356.511 0.611 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037611 488835656 /nfs/dbraw/zinc/83/56/56/488835656.db2.gz NTQFBYQSVDQYEY-QAPCUYQASA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037611 488835657 /nfs/dbraw/zinc/83/56/57/488835657.db2.gz NTQFBYQSVDQYEY-QAPCUYQASA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037611 488835659 /nfs/dbraw/zinc/83/56/59/488835659.db2.gz NTQFBYQSVDQYEY-QAPCUYQASA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037611 488835660 /nfs/dbraw/zinc/83/56/60/488835660.db2.gz NTQFBYQSVDQYEY-QAPCUYQASA-N 2 2 363.458 0.725 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172789158 488837867 /nfs/dbraw/zinc/83/78/67/488837867.db2.gz UZGQOLACIDISBH-GOSISDBHSA-N 2 2 374.533 0.346 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173604620 488843821 /nfs/dbraw/zinc/84/38/21/488843821.db2.gz LGBWEXPZFYWXBO-SJLPKXTDSA-N 2 2 350.507 0.873 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173604620 488843822 /nfs/dbraw/zinc/84/38/22/488843822.db2.gz LGBWEXPZFYWXBO-SJLPKXTDSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000173658037 488844270 /nfs/dbraw/zinc/84/42/70/488844270.db2.gz XNZOULNJTFGZHV-SFHVURJKSA-N 2 2 374.485 0.411 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000173905942 488846137 /nfs/dbraw/zinc/84/61/37/488846137.db2.gz BWJNGOZRRPYPDC-KRWDZBQOSA-N 3 2 355.527 0.376 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000173905942 488846138 /nfs/dbraw/zinc/84/61/38/488846138.db2.gz BWJNGOZRRPYPDC-KRWDZBQOSA-N 3 2 355.527 0.376 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000174362516 488848939 /nfs/dbraw/zinc/84/89/39/488848939.db2.gz RRAJODOVUYOPED-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000174444448 488849197 /nfs/dbraw/zinc/84/91/97/488849197.db2.gz AIRCKSCUFIEOBV-UHFFFAOYSA-N 2 2 373.545 0.801 20 0 FCADLP CN1CC[NH+](CCCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000174444448 488849198 /nfs/dbraw/zinc/84/91/98/488849198.db2.gz AIRCKSCUFIEOBV-UHFFFAOYSA-N 2 2 373.545 0.801 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000174545242 488849681 /nfs/dbraw/zinc/84/96/81/488849681.db2.gz UPCBSTCYYGGYDK-INIZCTEOSA-N 2 2 371.485 0.684 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000174545242 488849682 /nfs/dbraw/zinc/84/96/82/488849682.db2.gz UPCBSTCYYGGYDK-INIZCTEOSA-N 2 2 371.485 0.684 20 0 FCADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000570207074 491224466 /nfs/dbraw/zinc/22/44/66/491224466.db2.gz FOEGTELWVVJXQQ-HZPDHXFCSA-N 2 2 374.485 0.711 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175575204 488854499 /nfs/dbraw/zinc/85/44/99/488854499.db2.gz ACOXNOUOGBPFOQ-SFHVURJKSA-N 3 2 369.554 0.668 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000175617936 488854532 /nfs/dbraw/zinc/85/45/32/488854532.db2.gz RVJWSBBUHXVRHD-CABCVRRESA-N 2 2 354.451 0.217 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176121814 488857489 /nfs/dbraw/zinc/85/74/89/488857489.db2.gz LQVCMFDTDQFNGB-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176121814 488857490 /nfs/dbraw/zinc/85/74/90/488857490.db2.gz LQVCMFDTDQFNGB-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CN(CC[N@H+](C)CC(=O)NCCCN1CCCC1=O)C1CC[NH+](C)CC1 ZINC000180940071 488862572 /nfs/dbraw/zinc/86/25/72/488862572.db2.gz VZPBDASIOPDWSH-UHFFFAOYSA-N 2 2 367.538 0.073 20 0 FCADLP CN(CC[N@@H+](C)CC(=O)NCCCN1CCCC1=O)C1CC[NH+](C)CC1 ZINC000180940071 488862573 /nfs/dbraw/zinc/86/25/73/488862573.db2.gz VZPBDASIOPDWSH-UHFFFAOYSA-N 2 2 367.538 0.073 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NCCCN1CCCC1=O ZINC000180940071 488862574 /nfs/dbraw/zinc/86/25/74/488862574.db2.gz VZPBDASIOPDWSH-UHFFFAOYSA-N 2 2 367.538 0.073 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NCCCN1CCCC1=O ZINC000180940071 488862575 /nfs/dbraw/zinc/86/25/75/488862575.db2.gz VZPBDASIOPDWSH-UHFFFAOYSA-N 2 2 367.538 0.073 20 0 FCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000181744388 488863815 /nfs/dbraw/zinc/86/38/15/488863815.db2.gz NAVJJRIAVSAZQN-OAHLLOKOSA-N 2 2 354.476 0.149 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H](O)CN3CCCC3=O)CCC[NH+]2C)cn1 ZINC000364694665 488987253 /nfs/dbraw/zinc/98/72/53/488987253.db2.gz HTXPUEZTSYTILU-KVSKMBFKSA-N 2 2 363.506 0.718 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H](O)CN3CCCC3=O)CCC[NH+]2C)cn1 ZINC000364694665 488987255 /nfs/dbraw/zinc/98/72/55/488987255.db2.gz HTXPUEZTSYTILU-KVSKMBFKSA-N 2 2 363.506 0.718 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)CN3CCCC3=O)CCC[N@@H+]2C)cn1 ZINC000364694665 488987258 /nfs/dbraw/zinc/98/72/58/488987258.db2.gz HTXPUEZTSYTILU-KVSKMBFKSA-N 2 2 363.506 0.718 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)CN3CCCC3=O)CCC[N@H+]2C)cn1 ZINC000364694665 488987261 /nfs/dbraw/zinc/98/72/61/488987261.db2.gz HTXPUEZTSYTILU-KVSKMBFKSA-N 2 2 363.506 0.718 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329335974 488994907 /nfs/dbraw/zinc/99/49/07/488994907.db2.gz XWHSCQCPUXULEP-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329335974 488994910 /nfs/dbraw/zinc/99/49/10/488994910.db2.gz XWHSCQCPUXULEP-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000329342672 488995569 /nfs/dbraw/zinc/99/55/69/488995569.db2.gz PRTBIFOKGCNSNT-NVXWUHKLSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000329342672 488995572 /nfs/dbraw/zinc/99/55/72/488995572.db2.gz PRTBIFOKGCNSNT-NVXWUHKLSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342672 488995574 /nfs/dbraw/zinc/99/55/74/488995574.db2.gz PRTBIFOKGCNSNT-NVXWUHKLSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342672 488995576 /nfs/dbraw/zinc/99/55/76/488995576.db2.gz PRTBIFOKGCNSNT-NVXWUHKLSA-N 2 2 353.507 0.933 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000364826284 489006500 /nfs/dbraw/zinc/00/65/00/489006500.db2.gz HMRNLLHHIXRIRF-QGZVFWFLSA-N 2 2 359.474 0.373 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000364826284 489006503 /nfs/dbraw/zinc/00/65/03/489006503.db2.gz HMRNLLHHIXRIRF-QGZVFWFLSA-N 2 2 359.474 0.373 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000280507062 489014423 /nfs/dbraw/zinc/01/44/23/489014423.db2.gz LNXNSICMHQPWHO-LBPRGKRZSA-N 2 2 351.401 0.985 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000280507062 489014426 /nfs/dbraw/zinc/01/44/26/489014426.db2.gz LNXNSICMHQPWHO-LBPRGKRZSA-N 2 2 351.401 0.985 20 0 FCADLP CN(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c[nH+]cn1C ZINC000280696157 489025121 /nfs/dbraw/zinc/02/51/21/489025121.db2.gz ACDAAHLKHXYGSN-PKOBYXMFSA-N 2 2 371.485 0.906 20 0 FCADLP CN(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c[nH+]cn1C ZINC000280696157 489025125 /nfs/dbraw/zinc/02/51/25/489025125.db2.gz ACDAAHLKHXYGSN-PKOBYXMFSA-N 2 2 371.485 0.906 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@]1(CO)CCOC1 ZINC000329683953 489026615 /nfs/dbraw/zinc/02/66/15/489026615.db2.gz XWTFQSGBWDTMQR-KRWDZBQOSA-N 2 2 353.488 0.476 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@]1(CO)CCOC1 ZINC000329683953 489026616 /nfs/dbraw/zinc/02/66/16/489026616.db2.gz XWTFQSGBWDTMQR-KRWDZBQOSA-N 2 2 353.488 0.476 20 0 FCADLP C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000280720450 489026915 /nfs/dbraw/zinc/02/69/15/489026915.db2.gz KDQIPUIYNSDVEZ-KRWDZBQOSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000280720450 489026918 /nfs/dbraw/zinc/02/69/18/489026918.db2.gz KDQIPUIYNSDVEZ-KRWDZBQOSA-N 2 2 350.488 0.590 20 0 FCADLP CN(C)[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1c[nH+]cn1C ZINC000280790863 489031490 /nfs/dbraw/zinc/03/14/90/489031490.db2.gz OKDBQDJVGLRTKA-KRWDZBQOSA-N 2 2 359.478 0.491 20 0 FCADLP CN(C)[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1c[nH+]cn1C ZINC000280790863 489031492 /nfs/dbraw/zinc/03/14/92/489031492.db2.gz OKDBQDJVGLRTKA-KRWDZBQOSA-N 2 2 359.478 0.491 20 0 FCADLP CCNC(=O)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365200872 489048549 /nfs/dbraw/zinc/04/85/49/489048549.db2.gz KKXQFLRXXCGNFO-HNNXBMFYSA-N 2 2 365.522 0.761 20 0 FCADLP CCNC(=O)C1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000365200872 489048552 /nfs/dbraw/zinc/04/85/52/489048552.db2.gz KKXQFLRXXCGNFO-HNNXBMFYSA-N 2 2 365.522 0.761 20 0 FCADLP CN(C(=O)CCC(=O)N1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365231672 489051837 /nfs/dbraw/zinc/05/18/37/489051837.db2.gz YFJSGFPPNMTHEI-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(C(=O)CCC(=O)N1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365231672 489051841 /nfs/dbraw/zinc/05/18/41/489051841.db2.gz YFJSGFPPNMTHEI-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000365380583 489070133 /nfs/dbraw/zinc/07/01/33/489070133.db2.gz NMXJXHQLTMMMMW-RDJZCZTQSA-N 2 2 369.535 0.714 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000365380583 489070134 /nfs/dbraw/zinc/07/01/34/489070134.db2.gz NMXJXHQLTMMMMW-RDJZCZTQSA-N 2 2 369.535 0.714 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N3CCCC3)CC1)CC2 ZINC000563247539 491231478 /nfs/dbraw/zinc/23/14/78/491231478.db2.gz GYKIURGBSXRVRX-WBVHZDCISA-N 2 2 373.501 0.909 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000281449120 489076195 /nfs/dbraw/zinc/07/61/95/489076195.db2.gz UNSFFIKRCOOXRM-CVEARBPZSA-N 2 2 373.457 0.551 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000281449120 489076198 /nfs/dbraw/zinc/07/61/98/489076198.db2.gz UNSFFIKRCOOXRM-CVEARBPZSA-N 2 2 373.457 0.551 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000289689052 489086624 /nfs/dbraw/zinc/08/66/24/489086624.db2.gz DXDAANWXXVBBOM-DLBZAZTESA-N 2 2 363.458 0.765 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330311770 489090154 /nfs/dbraw/zinc/09/01/54/489090154.db2.gz VZOMTNMLGNGIFG-STQMWFEESA-N 2 2 360.462 0.750 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330311770 489090157 /nfs/dbraw/zinc/09/01/57/489090157.db2.gz VZOMTNMLGNGIFG-STQMWFEESA-N 2 2 360.462 0.750 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C2)CC1 ZINC000554931905 491232613 /nfs/dbraw/zinc/23/26/13/491232613.db2.gz CKULEPBHIHGFDT-RDJZCZTQSA-N 2 2 354.495 0.012 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C2)CC1 ZINC000554931905 491232616 /nfs/dbraw/zinc/23/26/16/491232616.db2.gz CKULEPBHIHGFDT-RDJZCZTQSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000570337252 491234964 /nfs/dbraw/zinc/23/49/64/491234964.db2.gz SQQPNNJTWHXUSD-HNNXBMFYSA-N 2 2 358.446 0.921 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000554943986 491233874 /nfs/dbraw/zinc/23/38/74/491233874.db2.gz GBRQWUDQQAKWLA-MRXNPFEDSA-N 2 2 365.478 0.322 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000554943986 491233878 /nfs/dbraw/zinc/23/38/78/491233878.db2.gz GBRQWUDQQAKWLA-MRXNPFEDSA-N 2 2 365.478 0.322 20 0 FCADLP C[NH+]1CCN(c2ncc(CNc3c[nH+]ccc3-n3ccnn3)cn2)CC1 ZINC000290117597 489115615 /nfs/dbraw/zinc/11/56/15/489115615.db2.gz LTKITDANYOUQMD-UHFFFAOYSA-N 2 2 351.418 0.816 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000563269566 491234182 /nfs/dbraw/zinc/23/41/82/491234182.db2.gz VUDOBZFDXWFPNM-GJZGRUSLSA-N 2 2 365.503 0.740 20 0 FCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000290279458 489127458 /nfs/dbraw/zinc/12/74/58/489127458.db2.gz WZUJYWRAZWFSBT-DZGCQCFKSA-N 2 2 357.462 0.646 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000290320852 489130885 /nfs/dbraw/zinc/13/08/85/489130885.db2.gz DKCFXYZFLHOABZ-DLBZAZTESA-N 2 2 371.485 0.863 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3)C2)CC1 ZINC000366052924 489139335 /nfs/dbraw/zinc/13/93/35/489139335.db2.gz NZSRKAGIIAXEMP-QGZVFWFLSA-N 2 2 353.511 0.129 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000290473805 489143293 /nfs/dbraw/zinc/14/32/93/489143293.db2.gz NHTSSCCZJKEOPH-OAHLLOKOSA-N 2 2 358.446 0.921 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290649439 489156085 /nfs/dbraw/zinc/15/60/85/489156085.db2.gz UBOZLXLUYUFNBQ-HNNXBMFYSA-N 2 2 356.430 0.522 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@H+]2CC=CCC2)([NH+]2CCOCC2)C1 ZINC000366274011 489165479 /nfs/dbraw/zinc/16/54/79/489165479.db2.gz UILUGUPUWQKNKP-UHFFFAOYSA-N 2 2 366.506 0.817 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@@H+]2CC=CCC2)([NH+]2CCOCC2)C1 ZINC000366274011 489165481 /nfs/dbraw/zinc/16/54/81/489165481.db2.gz UILUGUPUWQKNKP-UHFFFAOYSA-N 2 2 366.506 0.817 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366449885 489183291 /nfs/dbraw/zinc/18/32/91/489183291.db2.gz HOCBIKXFDZRFDC-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000331206824 489185268 /nfs/dbraw/zinc/18/52/68/489185268.db2.gz DUTPGBPWWFFSKJ-CABCVRRESA-N 2 2 355.504 0.824 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000331206824 489185271 /nfs/dbraw/zinc/18/52/71/489185271.db2.gz DUTPGBPWWFFSKJ-CABCVRRESA-N 2 2 355.504 0.824 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000282833783 489193098 /nfs/dbraw/zinc/19/30/98/489193098.db2.gz AOZCHTRFZHHOAN-XEZPLFJOSA-N 2 2 365.478 0.461 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000282833783 489193101 /nfs/dbraw/zinc/19/31/01/489193101.db2.gz AOZCHTRFZHHOAN-XEZPLFJOSA-N 2 2 365.478 0.461 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000283008514 489206162 /nfs/dbraw/zinc/20/61/62/489206162.db2.gz AEMUIDKHBLXFGQ-MRXNPFEDSA-N 2 2 361.490 0.745 20 0 FCADLP CN(C(=O)C1=CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331435470 489210764 /nfs/dbraw/zinc/21/07/64/489210764.db2.gz AVHXTYXRYILPLZ-UHFFFAOYSA-N 2 2 364.490 0.030 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000332561546 489220211 /nfs/dbraw/zinc/22/02/11/489220211.db2.gz WVOSZYKETQZVLZ-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC000332745743 489224370 /nfs/dbraw/zinc/22/43/70/489224370.db2.gz IRVOAUCZDGEAAW-FGTMMUONSA-N 2 2 351.491 0.998 20 0 FCADLP CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC000332745743 489224372 /nfs/dbraw/zinc/22/43/72/489224372.db2.gz IRVOAUCZDGEAAW-FGTMMUONSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000332750021 489224516 /nfs/dbraw/zinc/22/45/16/489224516.db2.gz PLEGJMYTUDXCMH-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000332750021 489224520 /nfs/dbraw/zinc/22/45/20/489224520.db2.gz PLEGJMYTUDXCMH-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297701958 489226451 /nfs/dbraw/zinc/22/64/51/489226451.db2.gz BYRITHNERVLZKV-KRWDZBQOSA-N 2 2 373.501 0.921 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297701958 489226455 /nfs/dbraw/zinc/22/64/55/489226455.db2.gz BYRITHNERVLZKV-KRWDZBQOSA-N 2 2 373.501 0.921 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000283212275 489227910 /nfs/dbraw/zinc/22/79/10/489227910.db2.gz AMHIHYRFHNZCJP-UHFFFAOYSA-N 2 2 356.430 0.701 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000297809690 489244282 /nfs/dbraw/zinc/24/42/82/489244282.db2.gz LMGXVDZMJGQGBR-IXDOHACOSA-N 2 2 357.458 0.765 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C2 ZINC000297819772 489246143 /nfs/dbraw/zinc/24/61/43/489246143.db2.gz SPUGADRCAPMHSK-AWEZNQCLSA-N 2 2 361.490 0.981 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000332922469 489246487 /nfs/dbraw/zinc/24/64/87/489246487.db2.gz DRJTWHFIXYDUOC-UONOGXRCSA-N 2 2 372.477 0.678 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC000332922469 489246489 /nfs/dbraw/zinc/24/64/89/489246489.db2.gz DRJTWHFIXYDUOC-UONOGXRCSA-N 2 2 372.477 0.678 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524084 489248615 /nfs/dbraw/zinc/24/86/15/489248615.db2.gz ZMQKFPDWKZERAH-IAGOWNOFSA-N 3 2 367.538 0.422 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524084 489248617 /nfs/dbraw/zinc/24/86/17/489248617.db2.gz ZMQKFPDWKZERAH-IAGOWNOFSA-N 3 2 367.538 0.422 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000332947183 489249634 /nfs/dbraw/zinc/24/96/34/489249634.db2.gz VILNHBWNOSQZEO-WCVJEAGWSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C[C@@H](C)O1 ZINC000332947183 489249637 /nfs/dbraw/zinc/24/96/37/489249637.db2.gz VILNHBWNOSQZEO-WCVJEAGWSA-N 2 2 354.495 0.599 20 0 FCADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297847936 489251087 /nfs/dbraw/zinc/25/10/87/489251087.db2.gz RVNYHAHDVOWUQL-UHFFFAOYSA-N 2 2 373.501 0.921 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000283404822 489255430 /nfs/dbraw/zinc/25/54/30/489255430.db2.gz YITFQMMJGGEKPS-UHFFFAOYSA-N 2 2 356.430 0.701 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NCc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000283409745 489256090 /nfs/dbraw/zinc/25/60/90/489256090.db2.gz KPJGEEYKTUSFRQ-HNNXBMFYSA-N 2 2 359.430 0.464 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369608716 489257108 /nfs/dbraw/zinc/25/71/08/489257108.db2.gz HZRILXHEZRHXPF-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000297930056 489264404 /nfs/dbraw/zinc/26/44/04/489264404.db2.gz UQLGRFKXVUYXEC-UHFFFAOYSA-N 2 2 367.453 0.612 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000297932892 489264585 /nfs/dbraw/zinc/26/45/85/489264585.db2.gz DTELJDRHQWLEAV-VVLHAWIVSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000297932892 489264586 /nfs/dbraw/zinc/26/45/86/489264586.db2.gz DTELJDRHQWLEAV-VVLHAWIVSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283568239 489276535 /nfs/dbraw/zinc/27/65/35/489276535.db2.gz UESGMCVCPDTBFS-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283568239 489276537 /nfs/dbraw/zinc/27/65/37/489276537.db2.gz UESGMCVCPDTBFS-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000283579163 489277592 /nfs/dbraw/zinc/27/75/92/489277592.db2.gz SKISPXTZSIPQQL-HNNXBMFYSA-N 2 2 373.457 0.298 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000283579163 489277593 /nfs/dbraw/zinc/27/75/93/489277593.db2.gz SKISPXTZSIPQQL-HNNXBMFYSA-N 2 2 373.457 0.298 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298019730 489278933 /nfs/dbraw/zinc/27/89/33/489278933.db2.gz MCGLQPGSRUILQJ-QGZVFWFLSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298019730 489278935 /nfs/dbraw/zinc/27/89/35/489278935.db2.gz MCGLQPGSRUILQJ-QGZVFWFLSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000298043207 489281708 /nfs/dbraw/zinc/28/17/08/489281708.db2.gz PEQNTBXLOQEGHV-JKSUJKDBSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000298043207 489281710 /nfs/dbraw/zinc/28/17/10/489281710.db2.gz PEQNTBXLOQEGHV-JKSUJKDBSA-N 2 2 359.474 0.671 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000369881557 489286273 /nfs/dbraw/zinc/28/62/73/489286273.db2.gz GXZPTBDCYVUWOI-CQSZACIVSA-N 2 2 367.412 0.820 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000369881557 489286275 /nfs/dbraw/zinc/28/62/75/489286275.db2.gz GXZPTBDCYVUWOI-CQSZACIVSA-N 2 2 367.412 0.820 20 0 FCADLP CC(C)Nc1nc(N2CC[NH+](Cc3cccnc3)CC2)nc(NCCO)[nH+]1 ZINC000283684385 489290622 /nfs/dbraw/zinc/29/06/22/489290622.db2.gz YBFQNSYWEJNSQQ-UHFFFAOYSA-N 2 2 372.477 0.813 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563438950 491246041 /nfs/dbraw/zinc/24/60/41/491246041.db2.gz FGITYNSAUXFXTO-KNXALSJPSA-N 2 2 359.430 0.216 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563438950 491246044 /nfs/dbraw/zinc/24/60/44/491246044.db2.gz FGITYNSAUXFXTO-KNXALSJPSA-N 2 2 359.430 0.216 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000284254101 489306922 /nfs/dbraw/zinc/30/69/22/489306922.db2.gz AAKGUNFYQJIRRP-CQSZACIVSA-N 2 2 359.430 0.096 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000284254101 489306924 /nfs/dbraw/zinc/30/69/24/489306924.db2.gz AAKGUNFYQJIRRP-CQSZACIVSA-N 2 2 359.430 0.096 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000370119457 489317186 /nfs/dbraw/zinc/31/71/86/489317186.db2.gz IFLSIXXPPRXHAP-KBPBESRZSA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149398 489320869 /nfs/dbraw/zinc/32/08/69/489320869.db2.gz OLECDVZPOIPKKW-BHIYHBOVSA-N 2 2 374.533 0.873 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149398 489320870 /nfs/dbraw/zinc/32/08/70/489320870.db2.gz OLECDVZPOIPKKW-BHIYHBOVSA-N 2 2 374.533 0.873 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000285855115 489326883 /nfs/dbraw/zinc/32/68/83/489326883.db2.gz KBPSDCKKVISKOX-HNNXBMFYSA-N 2 2 370.457 0.608 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209887 489328547 /nfs/dbraw/zinc/32/85/47/489328547.db2.gz LNVNCMHQFBRGDS-CRAIPNDOSA-N 2 2 357.458 0.859 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209887 489328548 /nfs/dbraw/zinc/32/85/48/489328548.db2.gz LNVNCMHQFBRGDS-CRAIPNDOSA-N 2 2 357.458 0.859 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)C2)CC1 ZINC000370294379 489340524 /nfs/dbraw/zinc/34/05/24/489340524.db2.gz OMVFJIDLDKIEHF-FMKPAKJESA-N 2 2 365.478 0.295 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)C2)CC1 ZINC000370294379 489340526 /nfs/dbraw/zinc/34/05/26/489340526.db2.gz OMVFJIDLDKIEHF-FMKPAKJESA-N 2 2 365.478 0.295 20 0 FCADLP C[C@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[NH+]1CCCCCC1 ZINC000350677695 489344324 /nfs/dbraw/zinc/34/43/24/489344324.db2.gz DKDLLUNOBAXDRX-OAHLLOKOSA-N 2 2 365.478 0.998 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298630933 489346255 /nfs/dbraw/zinc/34/62/55/489346255.db2.gz UODRPGCPUREMNK-GOSISDBHSA-N 2 2 373.501 0.669 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298630933 489346258 /nfs/dbraw/zinc/34/62/58/489346258.db2.gz UODRPGCPUREMNK-GOSISDBHSA-N 2 2 373.501 0.669 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000286078406 489353477 /nfs/dbraw/zinc/35/34/77/489353477.db2.gz YRWOZMDCSLSEKT-UHFFFAOYSA-N 2 2 365.478 0.125 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000286092508 489355623 /nfs/dbraw/zinc/35/56/23/489355623.db2.gz ZPXJOWXCRYBJHH-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000286092508 489355626 /nfs/dbraw/zinc/35/56/26/489355626.db2.gz ZPXJOWXCRYBJHH-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP [NH3+]C1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)Cc2ccccc2C1 ZINC000361710828 489363076 /nfs/dbraw/zinc/36/30/76/489363076.db2.gz MSNIIMQEGOVEPY-UHFFFAOYSA-N 2 2 355.442 0.650 20 0 FCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000361718564 489363742 /nfs/dbraw/zinc/36/37/42/489363742.db2.gz OZBMSJBNRKUDSR-RDJZCZTQSA-N 2 2 362.478 0.576 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000286312990 489378516 /nfs/dbraw/zinc/37/85/16/489378516.db2.gz YAKPPBFLPLTPBR-MRXNPFEDSA-N 2 2 350.438 0.442 20 0 FCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362880928 489402919 /nfs/dbraw/zinc/40/29/19/489402919.db2.gz QBHZVWGAQWSYBB-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930221 489406404 /nfs/dbraw/zinc/40/64/04/489406404.db2.gz BQNQMHPKFXFEAX-SJORKVTESA-N 2 2 369.425 0.790 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930221 489406405 /nfs/dbraw/zinc/40/64/05/489406405.db2.gz BQNQMHPKFXFEAX-SJORKVTESA-N 2 2 369.425 0.790 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000286585752 489406855 /nfs/dbraw/zinc/40/68/55/489406855.db2.gz HHPGCERKJVUEGV-UHFFFAOYSA-N 2 2 355.442 0.252 20 0 FCADLP CC[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555558901 491254745 /nfs/dbraw/zinc/25/47/45/491254745.db2.gz ASMGKWRYFMDIKA-QZTJIDSGSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000555558901 491254748 /nfs/dbraw/zinc/25/47/48/491254748.db2.gz ASMGKWRYFMDIKA-QZTJIDSGSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555558901 491254750 /nfs/dbraw/zinc/25/47/50/491254750.db2.gz ASMGKWRYFMDIKA-QZTJIDSGSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000555558901 491254752 /nfs/dbraw/zinc/25/47/52/491254752.db2.gz ASMGKWRYFMDIKA-QZTJIDSGSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362952058 489407673 /nfs/dbraw/zinc/40/76/73/489407673.db2.gz LTJRUOXNPCGYQJ-LSDHHAIUSA-N 2 2 353.511 0.759 20 0 FCADLP CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362952058 489407680 /nfs/dbraw/zinc/40/76/80/489407680.db2.gz LTJRUOXNPCGYQJ-LSDHHAIUSA-N 2 2 353.511 0.759 20 0 FCADLP CN(C(=O)CNC(=O)Cc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829662 489408376 /nfs/dbraw/zinc/40/83/76/489408376.db2.gz HYPKTUZVFWSNEX-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CN(C(=O)CNC(=O)Cc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829662 489408379 /nfs/dbraw/zinc/40/83/79/489408379.db2.gz HYPKTUZVFWSNEX-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299141659 489410004 /nfs/dbraw/zinc/41/00/04/489410004.db2.gz JBEDLQAXPGULJS-IBGZPJMESA-N 2 2 358.486 0.931 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299141659 489410005 /nfs/dbraw/zinc/41/00/05/489410005.db2.gz JBEDLQAXPGULJS-IBGZPJMESA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000570619435 491253670 /nfs/dbraw/zinc/25/36/70/491253670.db2.gz IPPOVDLMSJVSJL-UHFFFAOYSA-N 2 2 362.474 0.325 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370863915 489415452 /nfs/dbraw/zinc/41/54/52/489415452.db2.gz XBPFSXDGAPUXEQ-AWEZNQCLSA-N 2 2 353.511 0.616 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370863915 489415456 /nfs/dbraw/zinc/41/54/56/489415456.db2.gz XBPFSXDGAPUXEQ-AWEZNQCLSA-N 2 2 353.511 0.616 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000299320627 489431897 /nfs/dbraw/zinc/43/18/97/489431897.db2.gz YXXBPNMBJMOASE-HZPDHXFCSA-N 2 2 358.446 0.819 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000299389801 489436901 /nfs/dbraw/zinc/43/69/01/489436901.db2.gz TYIMVMLDJMYVQW-CYBMUJFWSA-N 2 2 360.466 0.535 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000286874336 489438274 /nfs/dbraw/zinc/43/82/74/489438274.db2.gz NQRIYRLNVLDACW-UHFFFAOYSA-N 2 2 361.421 0.766 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000371087985 489449829 /nfs/dbraw/zinc/44/98/29/489449829.db2.gz NHFOVKWLZQWTLI-MRXNPFEDSA-N 2 2 370.457 0.686 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000287112715 489461798 /nfs/dbraw/zinc/46/17/98/489461798.db2.gz ZTGCSGMKVJBCNQ-UHFFFAOYSA-N 2 2 373.432 0.910 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000287112715 489461800 /nfs/dbraw/zinc/46/18/00/489461800.db2.gz ZTGCSGMKVJBCNQ-UHFFFAOYSA-N 2 2 373.432 0.910 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000299638775 489466192 /nfs/dbraw/zinc/46/61/92/489466192.db2.gz IALQMJGIXVAQGQ-UHFFFAOYSA-N 2 2 351.451 0.942 20 0 FCADLP CN(CC[N@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O)C1CC[NH+](C)CC1 ZINC000363466099 489469734 /nfs/dbraw/zinc/46/97/34/489469734.db2.gz BQDUCOHYHWRDHL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CN(CC[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O)C1CC[NH+](C)CC1 ZINC000363466099 489469735 /nfs/dbraw/zinc/46/97/35/489469735.db2.gz BQDUCOHYHWRDHL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363466099 489469737 /nfs/dbraw/zinc/46/97/37/489469737.db2.gz BQDUCOHYHWRDHL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363466099 489469738 /nfs/dbraw/zinc/46/97/38/489469738.db2.gz BQDUCOHYHWRDHL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000363497926 489472236 /nfs/dbraw/zinc/47/22/36/489472236.db2.gz VXODNTGDXHOCQZ-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000363535720 489476961 /nfs/dbraw/zinc/47/69/61/489476961.db2.gz JZOAUTMSSUTRPH-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539932 489477606 /nfs/dbraw/zinc/47/76/06/489477606.db2.gz QNWFHUICNAXBRU-QZTJIDSGSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539932 489477608 /nfs/dbraw/zinc/47/76/08/489477608.db2.gz QNWFHUICNAXBRU-QZTJIDSGSA-N 3 2 351.539 0.251 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000287321954 489477809 /nfs/dbraw/zinc/47/78/09/489477809.db2.gz MFMAOZNLKDPJOI-WBVHZDCISA-N 2 2 362.474 0.957 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)CC1 ZINC000363572322 489480194 /nfs/dbraw/zinc/48/01/94/489480194.db2.gz CTSCLEVYXYCKSQ-KBXCAEBGSA-N 2 2 350.463 0.955 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)CC1 ZINC000363572322 489480197 /nfs/dbraw/zinc/48/01/97/489480197.db2.gz CTSCLEVYXYCKSQ-KBXCAEBGSA-N 2 2 350.463 0.955 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371428884 489484422 /nfs/dbraw/zinc/48/44/22/489484422.db2.gz OIKJYLANHQZGAR-IBGZPJMESA-N 2 2 361.486 0.708 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371428884 489484423 /nfs/dbraw/zinc/48/44/23/489484423.db2.gz OIKJYLANHQZGAR-IBGZPJMESA-N 2 2 361.486 0.708 20 0 FCADLP CN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371609670 489490500 /nfs/dbraw/zinc/49/05/00/489490500.db2.gz WRCNQEKMWDZUDO-CYBMUJFWSA-N 2 2 364.412 0.682 20 0 FCADLP CN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371609670 489490501 /nfs/dbraw/zinc/49/05/01/489490501.db2.gz WRCNQEKMWDZUDO-CYBMUJFWSA-N 2 2 364.412 0.682 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000423218453 489504215 /nfs/dbraw/zinc/50/42/15/489504215.db2.gz VNYXJUHPFZYWNZ-GJZGRUSLSA-N 2 2 360.458 0.733 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423256783 489507859 /nfs/dbraw/zinc/50/78/59/489507859.db2.gz FYSRVSZJNJTBOQ-OAHLLOKOSA-N 2 2 360.458 0.332 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000423260100 489508326 /nfs/dbraw/zinc/50/83/26/489508326.db2.gz PMMJOWVFSOTHNR-HNNXBMFYSA-N 2 2 362.474 0.578 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423300601 489512571 /nfs/dbraw/zinc/51/25/71/489512571.db2.gz SAGARTZKABCJQY-JXFKEZNVSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423300601 489512573 /nfs/dbraw/zinc/51/25/73/489512573.db2.gz SAGARTZKABCJQY-JXFKEZNVSA-N 2 2 358.486 0.917 20 0 FCADLP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000423304270 489513375 /nfs/dbraw/zinc/51/33/75/489513375.db2.gz NROPYXHDEDNRED-HNNXBMFYSA-N 2 2 358.486 0.873 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423305108 489513609 /nfs/dbraw/zinc/51/36/09/489513609.db2.gz BBBXYJREIHTUTF-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423305108 489513610 /nfs/dbraw/zinc/51/36/10/489513610.db2.gz BBBXYJREIHTUTF-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[N@H+](CC(N)=O)CC3)c2)CC1 ZINC000371820853 489513786 /nfs/dbraw/zinc/51/37/86/489513786.db2.gz QPAZVRJLHMYUMD-UHFFFAOYSA-N 2 2 373.501 0.067 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)c2)CC1 ZINC000371820853 489513788 /nfs/dbraw/zinc/51/37/88/489513788.db2.gz QPAZVRJLHMYUMD-UHFFFAOYSA-N 2 2 373.501 0.067 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000415414466 489518438 /nfs/dbraw/zinc/51/84/38/489518438.db2.gz JRWSPMXDTAJOLV-GOSISDBHSA-N 2 2 362.478 0.964 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000451749911 489521523 /nfs/dbraw/zinc/52/15/23/489521523.db2.gz ORRAQOILFHOKII-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000451749911 489521527 /nfs/dbraw/zinc/52/15/27/489521527.db2.gz ORRAQOILFHOKII-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000451749911 489521528 /nfs/dbraw/zinc/52/15/28/489521528.db2.gz ORRAQOILFHOKII-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000451749911 489521532 /nfs/dbraw/zinc/52/15/32/489521532.db2.gz ORRAQOILFHOKII-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371986335 489531484 /nfs/dbraw/zinc/53/14/84/489531484.db2.gz IHZIWTGZYZLKNV-ROUUACIJSA-N 2 2 368.522 0.994 20 0 FCADLP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000451943627 489533241 /nfs/dbraw/zinc/53/32/41/489533241.db2.gz KMMVNUJORTUIIB-QZTJIDSGSA-N 2 2 363.458 0.851 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)CC1 ZINC000451985023 489536094 /nfs/dbraw/zinc/53/60/94/489536094.db2.gz DMFUCSFJONPUHR-MRXNPFEDSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)CC1 ZINC000451985023 489536096 /nfs/dbraw/zinc/53/60/96/489536096.db2.gz DMFUCSFJONPUHR-MRXNPFEDSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563661295 491261422 /nfs/dbraw/zinc/26/14/22/491261422.db2.gz UJPAERAIFDKCJT-MRXNPFEDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563661295 491261424 /nfs/dbraw/zinc/26/14/24/491261424.db2.gz UJPAERAIFDKCJT-MRXNPFEDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CN(C(=O)NCCCCS(C)(=O)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425881204 489539293 /nfs/dbraw/zinc/53/92/93/489539293.db2.gz SQERXNAWVJMDPG-HNNXBMFYSA-N 2 2 374.551 0.621 20 0 FCADLP C[C@H]1C[C@H]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563662065 491261811 /nfs/dbraw/zinc/26/18/11/491261811.db2.gz VITXOFFXCJFULB-HOTGVXAUSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N(C)C2C[NH2+]C2)C[C@H](C)O1 ZINC000415734434 489548016 /nfs/dbraw/zinc/54/80/16/489548016.db2.gz JKKBDGXALWCTIW-KBPBESRZSA-N 2 2 360.458 0.665 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949486 489550745 /nfs/dbraw/zinc/55/07/45/489550745.db2.gz IJVTTXOWKVMLOI-SFHVURJKSA-N 2 2 369.531 0.837 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949486 489550748 /nfs/dbraw/zinc/55/07/48/489550748.db2.gz IJVTTXOWKVMLOI-SFHVURJKSA-N 2 2 369.531 0.837 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425949486 489550750 /nfs/dbraw/zinc/55/07/50/489550750.db2.gz IJVTTXOWKVMLOI-SFHVURJKSA-N 2 2 369.531 0.837 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425949486 489550752 /nfs/dbraw/zinc/55/07/52/489550752.db2.gz IJVTTXOWKVMLOI-SFHVURJKSA-N 2 2 369.531 0.837 20 0 FCADLP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000415791308 489553374 /nfs/dbraw/zinc/55/33/74/489553374.db2.gz RRKLEAYKKIOKSA-INIZCTEOSA-N 2 2 361.490 0.616 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C[NH+]1CCCCC1 ZINC000426047555 489553660 /nfs/dbraw/zinc/55/36/60/489553660.db2.gz RKFGFFVRGZLNDS-HNNXBMFYSA-N 2 2 353.511 0.700 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000426056019 489554308 /nfs/dbraw/zinc/55/43/08/489554308.db2.gz WNYLMJYPPHWFBM-UHFFFAOYSA-N 2 2 362.478 0.353 20 0 FCADLP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C(F)(F)F ZINC000415996010 489567346 /nfs/dbraw/zinc/56/73/46/489567346.db2.gz OEMMLFLLNQPHBV-GFCCVEGCSA-N 2 2 365.400 0.216 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000555660939 491263512 /nfs/dbraw/zinc/26/35/12/491263512.db2.gz USLXHPWCKTZEGU-UHFFFAOYSA-N 2 2 370.538 0.791 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000555660939 491263514 /nfs/dbraw/zinc/26/35/14/491263514.db2.gz USLXHPWCKTZEGU-UHFFFAOYSA-N 2 2 370.538 0.791 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000555675671 491265098 /nfs/dbraw/zinc/26/50/98/491265098.db2.gz OCPUMPGAMSLIFX-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535225 489596364 /nfs/dbraw/zinc/59/63/64/489596364.db2.gz SPIQEDLXGFSCHD-JKSUJKDBSA-N 2 2 365.478 0.912 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535225 489596366 /nfs/dbraw/zinc/59/63/66/489596366.db2.gz SPIQEDLXGFSCHD-JKSUJKDBSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535225 489596368 /nfs/dbraw/zinc/59/63/68/489596368.db2.gz SPIQEDLXGFSCHD-JKSUJKDBSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535225 489596369 /nfs/dbraw/zinc/59/63/69/489596369.db2.gz SPIQEDLXGFSCHD-JKSUJKDBSA-N 2 2 365.478 0.912 20 0 FCADLP C[N@H+](CCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000455612417 489596693 /nfs/dbraw/zinc/59/66/93/489596693.db2.gz MPIJKSWZYDNTQP-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP C[N@@H+](CCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000455612417 489596695 /nfs/dbraw/zinc/59/66/95/489596695.db2.gz MPIJKSWZYDNTQP-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCO1 ZINC000427864935 489624364 /nfs/dbraw/zinc/62/43/64/489624364.db2.gz NJFAUUFIGDBEGK-QGZVFWFLSA-N 2 2 360.458 0.798 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCO1 ZINC000427864935 489624365 /nfs/dbraw/zinc/62/43/65/489624365.db2.gz NJFAUUFIGDBEGK-QGZVFWFLSA-N 2 2 360.458 0.798 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCO1 ZINC000427864935 489624367 /nfs/dbraw/zinc/62/43/67/489624367.db2.gz NJFAUUFIGDBEGK-QGZVFWFLSA-N 2 2 360.458 0.798 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCO1 ZINC000427864935 489624368 /nfs/dbraw/zinc/62/43/68/489624368.db2.gz NJFAUUFIGDBEGK-QGZVFWFLSA-N 2 2 360.458 0.798 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416808963 489630091 /nfs/dbraw/zinc/63/00/91/489630091.db2.gz IQIXPHPEPYBKDX-KRWDZBQOSA-N 2 2 350.463 0.423 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416808963 489630092 /nfs/dbraw/zinc/63/00/92/489630092.db2.gz IQIXPHPEPYBKDX-KRWDZBQOSA-N 2 2 350.463 0.423 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038745 489634039 /nfs/dbraw/zinc/63/40/39/489634039.db2.gz ARYMZSYKJDYBMB-GJZGRUSLSA-N 2 2 362.499 0.716 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038745 489634041 /nfs/dbraw/zinc/63/40/41/489634041.db2.gz ARYMZSYKJDYBMB-GJZGRUSLSA-N 2 2 362.499 0.716 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCOCC2)c1 ZINC000417004306 489638224 /nfs/dbraw/zinc/63/82/24/489638224.db2.gz WRJVSNHOLNIMLN-ZWKOTPCHSA-N 2 2 362.474 0.737 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCO1 ZINC000417228877 489644935 /nfs/dbraw/zinc/64/49/35/489644935.db2.gz WXAUHHWVPMJLFE-GFCCVEGCSA-N 2 2 368.235 0.966 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H]1C[NH3+] ZINC000417256655 489645542 /nfs/dbraw/zinc/64/55/42/489645542.db2.gz GRXFWZHHFAPHRV-BFYDXBDKSA-N 2 2 356.536 0.821 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000417317707 489648014 /nfs/dbraw/zinc/64/80/14/489648014.db2.gz JPNCANVYFPQUDE-INIZCTEOSA-N 2 2 362.474 0.888 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417367150 489649433 /nfs/dbraw/zinc/64/94/33/489649433.db2.gz LNRMZXBQQFEGBG-HZPDHXFCSA-N 2 2 374.489 0.547 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417370912 489650328 /nfs/dbraw/zinc/65/03/28/489650328.db2.gz UOSNKHOQMFMDHH-MRXNPFEDSA-N 2 2 374.489 0.514 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457618308 489651998 /nfs/dbraw/zinc/65/19/98/489651998.db2.gz ZWEXKCJZCPKYNM-DLBZAZTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457618308 489652001 /nfs/dbraw/zinc/65/20/01/489652001.db2.gz ZWEXKCJZCPKYNM-DLBZAZTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCN(C)CC1 ZINC000457627958 489652252 /nfs/dbraw/zinc/65/22/52/489652252.db2.gz UGKBPPZVFMPHPG-KSZLIROESA-N 2 2 367.538 0.421 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCN(C)CC1 ZINC000457627958 489652255 /nfs/dbraw/zinc/65/22/55/489652255.db2.gz UGKBPPZVFMPHPG-KSZLIROESA-N 2 2 367.538 0.421 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000457736436 489655775 /nfs/dbraw/zinc/65/57/75/489655775.db2.gz GPDQPHZRDZHOLS-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000417515410 489656956 /nfs/dbraw/zinc/65/69/56/489656956.db2.gz DBRMRCQGUJIAGO-ARFHVFGLSA-N 2 2 369.510 0.125 20 0 FCADLP C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000563797412 491269795 /nfs/dbraw/zinc/26/97/95/491269795.db2.gz CXINDYUUZAISOT-CABCVRRESA-N 2 2 374.489 0.979 20 0 FCADLP C[C@H](O)C[N@H+](CCO)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428947451 489668447 /nfs/dbraw/zinc/66/84/47/489668447.db2.gz OQXLYZQRCCARMR-AWEZNQCLSA-N 2 2 370.519 0.989 20 0 FCADLP C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428947451 489668451 /nfs/dbraw/zinc/66/84/51/489668451.db2.gz OQXLYZQRCCARMR-AWEZNQCLSA-N 2 2 370.519 0.989 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(C1CC1)C1CC1 ZINC000373111392 489669659 /nfs/dbraw/zinc/66/96/59/489669659.db2.gz HARLWONQIJARIK-UHFFFAOYSA-N 2 2 351.491 0.450 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000373115160 489669799 /nfs/dbraw/zinc/66/97/99/489669799.db2.gz IAMINQHJHVVFLR-LLVKDONJSA-N 2 2 357.418 0.073 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000373115160 489669800 /nfs/dbraw/zinc/66/98/00/489669800.db2.gz IAMINQHJHVVFLR-LLVKDONJSA-N 2 2 357.418 0.073 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450484 489684211 /nfs/dbraw/zinc/68/42/11/489684211.db2.gz FXGOUIBYRRQKFV-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450484 489684213 /nfs/dbraw/zinc/68/42/13/489684213.db2.gz FXGOUIBYRRQKFV-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450484 489684215 /nfs/dbraw/zinc/68/42/15/489684215.db2.gz FXGOUIBYRRQKFV-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450484 489684216 /nfs/dbraw/zinc/68/42/16/489684216.db2.gz FXGOUIBYRRQKFV-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000458586650 489690242 /nfs/dbraw/zinc/69/02/42/489690242.db2.gz JGBDIJXQGDFFMK-UHFFFAOYSA-N 2 2 351.499 0.927 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000418392957 489695668 /nfs/dbraw/zinc/69/56/68/489695668.db2.gz QIVHEUQAFVBXBL-KKUMJFAQSA-N 2 2 354.474 0.829 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1cccs1 ZINC000489116972 489695682 /nfs/dbraw/zinc/69/56/82/489695682.db2.gz JNQDRVUMHRJSMB-CYBMUJFWSA-N 2 2 367.519 0.942 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418398479 489696640 /nfs/dbraw/zinc/69/66/40/489696640.db2.gz FEGVUUVYRADQLC-CVEARBPZSA-N 2 2 353.511 0.698 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)c1 ZINC000418547073 489705983 /nfs/dbraw/zinc/70/59/83/489705983.db2.gz XUPUBKPWHJSBLG-UHFFFAOYSA-N 2 2 372.416 0.995 20 0 FCADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000458941452 489709735 /nfs/dbraw/zinc/70/97/35/489709735.db2.gz TVEWRUMAXRAIJD-ROUUACIJSA-N 2 2 370.538 0.831 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418618710 489711201 /nfs/dbraw/zinc/71/12/01/489711201.db2.gz OPSJRPQEMMNZKY-INIZCTEOSA-N 2 2 367.538 0.960 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418762215 489724263 /nfs/dbraw/zinc/72/42/63/489724263.db2.gz IRTXWWMRZYJVFR-KSZLIROESA-N 2 2 360.458 0.270 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418762215 489724267 /nfs/dbraw/zinc/72/42/67/489724267.db2.gz IRTXWWMRZYJVFR-KSZLIROESA-N 2 2 360.458 0.270 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCOc1ccc(F)cc1 ZINC000489800503 489728756 /nfs/dbraw/zinc/72/87/56/489728756.db2.gz NDNSPSYTEBUXLK-MRXNPFEDSA-N 2 2 350.438 0.300 20 0 FCADLP CN(CCCNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489802073 489728796 /nfs/dbraw/zinc/72/87/96/489728796.db2.gz QKFCPVCTFKHAOF-LJQANCHMSA-N 2 2 359.518 0.609 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)cn21 ZINC000418800500 489730531 /nfs/dbraw/zinc/73/05/31/489730531.db2.gz XBNBFHZUCOXGML-TZMCWYRMSA-N 2 2 359.430 0.488 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000489856152 489731624 /nfs/dbraw/zinc/73/16/24/489731624.db2.gz GSZZNDKOCXTCOT-LBPRGKRZSA-N 2 2 370.475 0.484 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000489856152 489731629 /nfs/dbraw/zinc/73/16/29/489731629.db2.gz GSZZNDKOCXTCOT-LBPRGKRZSA-N 2 2 370.475 0.484 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCCOC1CCCCC1 ZINC000489856261 489731682 /nfs/dbraw/zinc/73/16/82/489731682.db2.gz IYSHCZCNTZWHKT-QGZVFWFLSA-N 2 2 352.523 0.822 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489904879 489735273 /nfs/dbraw/zinc/73/52/73/489735273.db2.gz DEJZVLRIWJHYQW-INIZCTEOSA-N 2 2 366.893 0.944 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418832205 489744777 /nfs/dbraw/zinc/74/47/77/489744777.db2.gz LWUPDKFXFVJMHA-NXHRZFHOSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418832205 489744785 /nfs/dbraw/zinc/74/47/85/489744785.db2.gz LWUPDKFXFVJMHA-NXHRZFHOSA-N 2 2 374.485 0.199 20 0 FCADLP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000418834623 489746650 /nfs/dbraw/zinc/74/66/50/489746650.db2.gz OWRPSVGYNAJYQX-GOSISDBHSA-N 2 2 374.485 0.770 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000430573041 489746962 /nfs/dbraw/zinc/74/69/62/489746962.db2.gz QOBOLYMDSHVPGE-INIZCTEOSA-N 2 2 356.492 0.838 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418837379 489747764 /nfs/dbraw/zinc/74/77/64/489747764.db2.gz SQACGOXKHFFNAF-FXAWDEMLSA-N 2 2 374.485 0.201 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418837379 489747769 /nfs/dbraw/zinc/74/77/69/489747769.db2.gz SQACGOXKHFFNAF-FXAWDEMLSA-N 2 2 374.485 0.201 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837421 489748318 /nfs/dbraw/zinc/74/83/18/489748318.db2.gz SUUVEYKGBXDGNE-SJORKVTESA-N 2 2 362.474 0.103 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837421 489748322 /nfs/dbraw/zinc/74/83/22/489748322.db2.gz SUUVEYKGBXDGNE-SJORKVTESA-N 2 2 362.474 0.103 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000430584461 489748624 /nfs/dbraw/zinc/74/86/24/489748624.db2.gz ZDBWFUYISOSNHO-KGLIPLIRSA-N 2 2 368.503 0.949 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000430584461 489748628 /nfs/dbraw/zinc/74/86/28/489748628.db2.gz ZDBWFUYISOSNHO-KGLIPLIRSA-N 2 2 368.503 0.949 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418838518 489748823 /nfs/dbraw/zinc/74/88/23/489748823.db2.gz BHAMHBXSVGIQJT-LJQANCHMSA-N 2 2 353.426 0.701 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418839331 489749993 /nfs/dbraw/zinc/74/99/93/489749993.db2.gz WLORQWHOAPYGDK-SQNIBIBYSA-N 2 2 374.485 0.247 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418839331 489749996 /nfs/dbraw/zinc/74/99/96/489749996.db2.gz WLORQWHOAPYGDK-SQNIBIBYSA-N 2 2 374.485 0.247 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430605421 489751515 /nfs/dbraw/zinc/75/15/15/489751515.db2.gz QRRQMBDXXWECEB-HNNXBMFYSA-N 2 2 355.446 0.306 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430605421 489751519 /nfs/dbraw/zinc/75/15/19/489751519.db2.gz QRRQMBDXXWECEB-HNNXBMFYSA-N 2 2 355.446 0.306 20 0 FCADLP Cc1cccc(N2CCN(C(=O)C[N@H+](C)CC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000430608812 489752042 /nfs/dbraw/zinc/75/20/42/489752042.db2.gz GERURMYAMMFEIP-UHFFFAOYSA-N 2 2 373.501 0.007 20 0 FCADLP Cc1cccc(N2CCN(C(=O)C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000430608812 489752044 /nfs/dbraw/zinc/75/20/44/489752044.db2.gz GERURMYAMMFEIP-UHFFFAOYSA-N 2 2 373.501 0.007 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000430614946 489753149 /nfs/dbraw/zinc/75/31/49/489753149.db2.gz ANWYLSWCNYIYLF-LBPRGKRZSA-N 2 2 350.385 0.151 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000430614946 489753150 /nfs/dbraw/zinc/75/31/50/489753150.db2.gz ANWYLSWCNYIYLF-LBPRGKRZSA-N 2 2 350.385 0.151 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418845716 489753425 /nfs/dbraw/zinc/75/34/25/489753425.db2.gz PDMGHMWLFVCUCV-CVEARBPZSA-N 2 2 353.426 0.556 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CCC[NH2+]C1 ZINC000418846699 489753717 /nfs/dbraw/zinc/75/37/17/489753717.db2.gz SMQBDNFKTZDWLG-IBGZPJMESA-N 2 2 355.442 0.994 20 0 FCADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430611749 489753787 /nfs/dbraw/zinc/75/37/87/489753787.db2.gz PFECMDUUKNKVSF-AWEZNQCLSA-N 2 2 355.442 0.925 20 0 FCADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430611749 489753790 /nfs/dbraw/zinc/75/37/90/489753790.db2.gz PFECMDUUKNKVSF-AWEZNQCLSA-N 2 2 355.442 0.925 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000459805149 489754403 /nfs/dbraw/zinc/75/44/03/489754403.db2.gz DCZHKPIKSHFTDI-KDURUIRLSA-N 2 2 370.497 0.741 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000459805149 489754408 /nfs/dbraw/zinc/75/44/08/489754408.db2.gz DCZHKPIKSHFTDI-KDURUIRLSA-N 2 2 370.497 0.741 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619529 489754860 /nfs/dbraw/zinc/75/48/60/489754860.db2.gz GFQPRDOBTQNZOE-STQMWFEESA-N 2 2 351.476 0.614 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619529 489754857 /nfs/dbraw/zinc/75/48/57/489754857.db2.gz GFQPRDOBTQNZOE-STQMWFEESA-N 2 2 351.476 0.614 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000459810911 489756303 /nfs/dbraw/zinc/75/63/03/489756303.db2.gz JNAGTWXBAVHIPA-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000459810911 489756308 /nfs/dbraw/zinc/75/63/08/489756308.db2.gz JNAGTWXBAVHIPA-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000418852824 489757498 /nfs/dbraw/zinc/75/74/98/489757498.db2.gz RJMZTLWQHPNTMJ-LZWOXQAQSA-N 2 2 362.474 0.623 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000555855645 491277026 /nfs/dbraw/zinc/27/70/26/491277026.db2.gz AMABLXFWMSQYLC-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000555855645 491277027 /nfs/dbraw/zinc/27/70/27/491277027.db2.gz AMABLXFWMSQYLC-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638934 489759906 /nfs/dbraw/zinc/75/99/06/489759906.db2.gz GQMWRHJRDQRFTA-UONOGXRCSA-N 2 2 351.451 0.811 20 0 FCADLP CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638934 489759913 /nfs/dbraw/zinc/75/99/13/489759913.db2.gz GQMWRHJRDQRFTA-UONOGXRCSA-N 2 2 351.451 0.811 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)CCC2 ZINC000570971757 491277180 /nfs/dbraw/zinc/27/71/80/491277180.db2.gz MNFKGUSIOHYHRD-OAHLLOKOSA-N 2 2 363.462 0.024 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655565 489763165 /nfs/dbraw/zinc/76/31/65/489763165.db2.gz RULZOZDHBCZBNJ-STQMWFEESA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655565 489763168 /nfs/dbraw/zinc/76/31/68/489763168.db2.gz RULZOZDHBCZBNJ-STQMWFEESA-N 2 2 354.476 0.592 20 0 FCADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430663478 489763856 /nfs/dbraw/zinc/76/38/56/489763856.db2.gz JTDKNYRINYKBAK-AWEZNQCLSA-N 2 2 350.438 0.709 20 0 FCADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430663478 489763861 /nfs/dbraw/zinc/76/38/61/489763861.db2.gz JTDKNYRINYKBAK-AWEZNQCLSA-N 2 2 350.438 0.709 20 0 FCADLP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000430722911 489766689 /nfs/dbraw/zinc/76/66/89/489766689.db2.gz NYDKGOXMZOQHQQ-OLZOCXBDSA-N 2 2 350.467 0.350 20 0 FCADLP C[NH2+]C1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000430918176 489777566 /nfs/dbraw/zinc/77/75/66/489777566.db2.gz GPOQSBCEIMRMPS-UHFFFAOYSA-N 2 2 360.502 0.819 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924613 489777744 /nfs/dbraw/zinc/77/77/44/489777744.db2.gz AWQFMVAJBFYJMU-UKRRQHHQSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924613 489777748 /nfs/dbraw/zinc/77/77/48/489777748.db2.gz AWQFMVAJBFYJMU-UKRRQHHQSA-N 2 2 368.503 0.853 20 0 FCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430929438 489778190 /nfs/dbraw/zinc/77/81/90/489778190.db2.gz WZDDMSXZGOSMLZ-GFCCVEGCSA-N 2 2 370.475 0.165 20 0 FCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430929438 489778196 /nfs/dbraw/zinc/77/81/96/489778196.db2.gz WZDDMSXZGOSMLZ-GFCCVEGCSA-N 2 2 370.475 0.165 20 0 FCADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000430931004 489778236 /nfs/dbraw/zinc/77/82/36/489778236.db2.gz BYEXBNDFPAHUOP-LPHOPBHVSA-N 2 2 360.502 0.804 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000430931004 489778243 /nfs/dbraw/zinc/77/82/43/489778243.db2.gz BYEXBNDFPAHUOP-LPHOPBHVSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000430931004 489778248 /nfs/dbraw/zinc/77/82/48/489778248.db2.gz BYEXBNDFPAHUOP-LPHOPBHVSA-N 3 2 360.502 0.804 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430928272 489778643 /nfs/dbraw/zinc/77/86/43/489778643.db2.gz LACGCSJLGZYZMT-AWEZNQCLSA-N 2 2 352.504 0.754 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430928272 489778645 /nfs/dbraw/zinc/77/86/45/489778645.db2.gz LACGCSJLGZYZMT-AWEZNQCLSA-N 2 2 352.504 0.754 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430941136 489779686 /nfs/dbraw/zinc/77/96/86/489779686.db2.gz ULSYBOQDQLOSJC-JSGCOSHPSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430941136 489779691 /nfs/dbraw/zinc/77/96/91/489779691.db2.gz ULSYBOQDQLOSJC-JSGCOSHPSA-N 2 2 351.447 0.998 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000430953338 489780528 /nfs/dbraw/zinc/78/05/28/489780528.db2.gz GTKACVMMNTYFEC-LLVKDONJSA-N 2 2 374.894 0.809 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000430953338 489780533 /nfs/dbraw/zinc/78/05/33/489780533.db2.gz GTKACVMMNTYFEC-LLVKDONJSA-N 2 2 374.894 0.809 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000431008340 489784125 /nfs/dbraw/zinc/78/41/25/489784125.db2.gz RQKDBFWSBGLGNB-CRAIPNDOSA-N 2 2 374.485 0.850 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2csc(C[NH3+])n2)CC1 ZINC000431006577 489784209 /nfs/dbraw/zinc/78/42/09/489784209.db2.gz NTRRKIVSZBFIEG-UHFFFAOYSA-N 2 2 367.519 0.958 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000418906129 489784466 /nfs/dbraw/zinc/78/44/66/489784466.db2.gz FLQWHMRHHSHHHZ-CVEARBPZSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431010490 489784539 /nfs/dbraw/zinc/78/45/39/489784539.db2.gz PNEZEXFSFWZURE-OAHLLOKOSA-N 2 2 373.457 0.755 20 0 FCADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431010490 489784543 /nfs/dbraw/zinc/78/45/43/489784543.db2.gz PNEZEXFSFWZURE-OAHLLOKOSA-N 2 2 373.457 0.755 20 0 FCADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CSC[NH2+]1 ZINC000431012630 489785485 /nfs/dbraw/zinc/78/54/85/489785485.db2.gz WZGVTUWDYLQNKB-CQSZACIVSA-N 2 2 350.492 0.158 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000459909402 489788286 /nfs/dbraw/zinc/78/82/86/489788286.db2.gz RFPSKPLGNCEKSB-UHFFFAOYSA-N 2 2 370.538 0.602 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431101645 489788868 /nfs/dbraw/zinc/78/88/68/489788868.db2.gz ISOPHNLGUAIGQQ-ZDUSSCGKSA-N 2 2 353.385 0.166 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418942840 489798041 /nfs/dbraw/zinc/79/80/41/489798041.db2.gz MATJSXLEUDFZRG-UKRRQHHQSA-N 2 2 364.515 0.856 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418942840 489798044 /nfs/dbraw/zinc/79/80/44/489798044.db2.gz MATJSXLEUDFZRG-UKRRQHHQSA-N 2 2 364.515 0.856 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418942712 489798249 /nfs/dbraw/zinc/79/82/49/489798249.db2.gz LQQSXFCMYDBDTQ-GOSISDBHSA-N 2 2 362.499 0.434 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418942712 489798252 /nfs/dbraw/zinc/79/82/52/489798252.db2.gz LQQSXFCMYDBDTQ-GOSISDBHSA-N 2 2 362.499 0.434 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H]1C[NH3+] ZINC000418942707 489798495 /nfs/dbraw/zinc/79/84/95/489798495.db2.gz LQOGIPWJYZJMRE-UKRRQHHQSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H]1C[NH3+] ZINC000418942707 489798497 /nfs/dbraw/zinc/79/84/97/489798497.db2.gz LQOGIPWJYZJMRE-UKRRQHHQSA-N 2 2 364.515 0.808 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418948401 489800798 /nfs/dbraw/zinc/80/07/98/489800798.db2.gz UBKUBGPTSFGQDK-ZFWWWQNUSA-N 2 2 362.499 0.290 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418948401 489800799 /nfs/dbraw/zinc/80/07/99/489800799.db2.gz UBKUBGPTSFGQDK-ZFWWWQNUSA-N 2 2 362.499 0.290 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000555883297 491279566 /nfs/dbraw/zinc/27/95/66/491279566.db2.gz KBSHCCPUYMICJR-CQSZACIVSA-N 2 2 359.474 0.928 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459992092 489810460 /nfs/dbraw/zinc/81/04/60/489810460.db2.gz PWJOOTCPTNUHFL-QGZVFWFLSA-N 2 2 373.501 0.755 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000418983987 489810573 /nfs/dbraw/zinc/81/05/73/489810573.db2.gz DMQAPWMGQPMTLM-WFASDCNBSA-N 2 2 373.457 0.690 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460010272 489817348 /nfs/dbraw/zinc/81/73/48/489817348.db2.gz GYIBGWSKPCBUBS-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000460016187 489819211 /nfs/dbraw/zinc/81/92/11/489819211.db2.gz DSFSZPKXALLONS-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000460016187 489819213 /nfs/dbraw/zinc/81/92/13/489819213.db2.gz DSFSZPKXALLONS-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000460022402 489821097 /nfs/dbraw/zinc/82/10/97/489821097.db2.gz FKQDGUIQZVFBJT-UHFFFAOYSA-N 2 2 364.465 0.880 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419033715 489826015 /nfs/dbraw/zinc/82/60/15/489826015.db2.gz YUQLOQYDIYSERM-HUUCEWRRSA-N 2 2 371.416 0.696 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000376971820 489827072 /nfs/dbraw/zinc/82/70/72/489827072.db2.gz AHWAEPDJOLXUIA-KURKYZTESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000376971820 489827076 /nfs/dbraw/zinc/82/70/76/489827076.db2.gz AHWAEPDJOLXUIA-KURKYZTESA-N 2 2 368.522 0.992 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419046008 489833059 /nfs/dbraw/zinc/83/30/59/489833059.db2.gz XCDSSEMNHCZMCJ-IBGZPJMESA-N 2 2 353.426 0.701 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000555909399 491282189 /nfs/dbraw/zinc/28/21/89/491282189.db2.gz NIIVUTQVMTYWMP-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1F ZINC000419086808 489851851 /nfs/dbraw/zinc/85/18/51/489851851.db2.gz YIJRTVNDXUVMLS-OAHLLOKOSA-N 2 2 373.432 0.975 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)C[C@H]21 ZINC000419106141 489856592 /nfs/dbraw/zinc/85/65/92/489856592.db2.gz COBDKMJOXSVLRY-NUEKZKHPSA-N 2 2 355.442 0.579 20 0 FCADLP CN(C)C(=O)NCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000460259291 489858794 /nfs/dbraw/zinc/85/87/94/489858794.db2.gz MWSDMWLELNNRSK-UHFFFAOYSA-N 2 2 368.526 0.458 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419116851 489862537 /nfs/dbraw/zinc/86/25/37/489862537.db2.gz LPHZJQLIUYRRRS-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419118363 489863175 /nfs/dbraw/zinc/86/31/75/489863175.db2.gz ACKLOPWOJPHMBJ-QGZVFWFLSA-N 2 2 369.469 0.848 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419121692 489866256 /nfs/dbraw/zinc/86/62/56/489866256.db2.gz SHKZFHMKDAENQG-YVSFHVDLSA-N 2 2 366.506 0.045 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000433116333 489866510 /nfs/dbraw/zinc/86/65/10/489866510.db2.gz KQQNPMLGDQMFEF-SFHVURJKSA-N 3 2 370.563 0.514 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)CC1 ZINC000433156581 489868842 /nfs/dbraw/zinc/86/88/42/489868842.db2.gz CETZOUWUFHHXLS-CVEARBPZSA-N 2 2 357.520 0.758 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187869 489872834 /nfs/dbraw/zinc/87/28/34/489872834.db2.gz FFKBQHBXWCUTPU-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187869 489872839 /nfs/dbraw/zinc/87/28/39/489872839.db2.gz FFKBQHBXWCUTPU-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnnn2C2CCOCC2)C1 ZINC000433260662 489874556 /nfs/dbraw/zinc/87/45/56/489874556.db2.gz LREZMOAOGDAHIW-INIZCTEOSA-N 2 2 352.483 0.957 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnnn2C2CCOCC2)C1 ZINC000433260662 489874558 /nfs/dbraw/zinc/87/45/58/489874558.db2.gz LREZMOAOGDAHIW-INIZCTEOSA-N 2 2 352.483 0.957 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000460781963 489881954 /nfs/dbraw/zinc/88/19/54/489881954.db2.gz LODVIAHVCGAVSL-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000460781963 489881958 /nfs/dbraw/zinc/88/19/58/489881958.db2.gz LODVIAHVCGAVSL-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420020009 489882543 /nfs/dbraw/zinc/88/25/43/489882543.db2.gz RLHTVGARMBBFTB-HOTGVXAUSA-N 2 2 354.495 0.189 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000377359098 489891965 /nfs/dbraw/zinc/89/19/65/489891965.db2.gz KCOQWGUKRJHQEB-HUUCEWRRSA-N 2 2 358.446 0.864 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000377359098 489891967 /nfs/dbraw/zinc/89/19/67/489891967.db2.gz KCOQWGUKRJHQEB-HUUCEWRRSA-N 2 2 358.446 0.864 20 0 FCADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)N1CCOCC1 ZINC000461290609 489901478 /nfs/dbraw/zinc/90/14/78/489901478.db2.gz IPVIKUHDXCBRAN-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP CN(C)c1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000433967288 489907571 /nfs/dbraw/zinc/90/75/71/489907571.db2.gz LAFPWOBHPNDHDD-UHFFFAOYSA-N 2 2 350.467 0.346 20 0 FCADLP CN(C)c1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000433967288 489907577 /nfs/dbraw/zinc/90/75/77/489907577.db2.gz LAFPWOBHPNDHDD-UHFFFAOYSA-N 2 2 350.467 0.346 20 0 FCADLP CC(C)[C@H](CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000433987271 489908916 /nfs/dbraw/zinc/90/89/16/489908916.db2.gz CUDUZPBDCXFXON-SJORKVTESA-N 2 2 356.511 0.705 20 0 FCADLP C[C@](O)(CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C[NH+]1CCOCC1 ZINC000434078098 489911952 /nfs/dbraw/zinc/91/19/52/489911952.db2.gz AWHNCKJVGSTPGF-QAPCUYQASA-N 2 2 365.478 0.323 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(=O)[nH]c1=O ZINC000494906307 489919480 /nfs/dbraw/zinc/91/94/80/489919480.db2.gz WRQSOOZUDRRLSF-ZDUSSCGKSA-N 2 2 374.445 0.793 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(=O)[nH]c1=O ZINC000494906307 489919485 /nfs/dbraw/zinc/91/94/85/489919485.db2.gz WRQSOOZUDRRLSF-ZDUSSCGKSA-N 2 2 374.445 0.793 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000420134534 489924493 /nfs/dbraw/zinc/92/44/93/489924493.db2.gz UVKNZXUQAZAFDD-KBPBESRZSA-N 2 2 350.488 0.649 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420136052 489925519 /nfs/dbraw/zinc/92/55/19/489925519.db2.gz FJFXSFMTBXHTMB-FUHWJXTLSA-N 2 2 358.486 0.753 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000420137076 489925576 /nfs/dbraw/zinc/92/55/76/489925576.db2.gz WQPVWFFQLTWCEB-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420144864 489929299 /nfs/dbraw/zinc/92/92/99/489929299.db2.gz NWJNZPQUSCHNRP-VIFPVBQESA-N 2 2 368.235 0.437 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434457616 489929629 /nfs/dbraw/zinc/92/96/29/489929629.db2.gz YHSVZFJZJHUILR-INIZCTEOSA-N 2 2 354.495 0.243 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434457862 489929697 /nfs/dbraw/zinc/92/96/97/489929697.db2.gz ZHBVLYWBRNQQLR-UHFFFAOYSA-N 2 2 353.511 0.176 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000434458883 489930027 /nfs/dbraw/zinc/93/00/27/489930027.db2.gz ICXCPPHEERLNJJ-QGZVFWFLSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000477088321 489940544 /nfs/dbraw/zinc/94/05/44/489940544.db2.gz YZPGDHFSDWPJFB-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000434699159 489949181 /nfs/dbraw/zinc/94/91/81/489949181.db2.gz IXCHMYUQUHOJKI-QGZVFWFLSA-N 2 2 364.490 0.576 20 0 FCADLP C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000434699159 489949185 /nfs/dbraw/zinc/94/91/85/489949185.db2.gz IXCHMYUQUHOJKI-QGZVFWFLSA-N 2 2 364.490 0.576 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420203346 489951366 /nfs/dbraw/zinc/95/13/66/489951366.db2.gz ODZLMTSGSAQGAO-WBVHZDCISA-N 2 2 374.485 0.583 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420218194 489955715 /nfs/dbraw/zinc/95/57/15/489955715.db2.gz WBSJRNGNRUYWNE-BRWVUGGUSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@H](C[NH3+])C1 ZINC000420258168 489958559 /nfs/dbraw/zinc/95/85/59/489958559.db2.gz JQXCVYRENNRLSJ-GJZGRUSLSA-N 2 2 367.519 0.581 20 0 FCADLP C[NH2+]CC1CC[NH+](Cc2nc(N)nc(Nc3ccccc3OC)n2)CC1 ZINC000420296731 489960508 /nfs/dbraw/zinc/96/05/08/489960508.db2.gz QSVUKRNIIIMFLL-UHFFFAOYSA-N 2 2 357.462 1.059 20 0 FCADLP CCCCn1c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312608 489962961 /nfs/dbraw/zinc/96/29/61/489962961.db2.gz SRHJWCBEXTUPKP-XQQFMLRXSA-N 2 2 360.462 0.805 20 0 FCADLP CCCCn1c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312608 489962963 /nfs/dbraw/zinc/96/29/63/489962963.db2.gz SRHJWCBEXTUPKP-XQQFMLRXSA-N 2 2 360.462 0.805 20 0 FCADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346451 489965898 /nfs/dbraw/zinc/96/58/98/489965898.db2.gz CWCKLINUTTZBET-INIZCTEOSA-N 2 2 360.458 0.700 20 0 FCADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346451 489965900 /nfs/dbraw/zinc/96/59/00/489965900.db2.gz CWCKLINUTTZBET-INIZCTEOSA-N 2 2 360.458 0.700 20 0 FCADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351612 489966535 /nfs/dbraw/zinc/96/65/35/489966535.db2.gz XQALKKCWOPDIRX-ZDUSSCGKSA-N 2 2 366.487 0.843 20 0 FCADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351612 489966539 /nfs/dbraw/zinc/96/65/39/489966539.db2.gz XQALKKCWOPDIRX-ZDUSSCGKSA-N 2 2 366.487 0.843 20 0 FCADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349350 489966740 /nfs/dbraw/zinc/96/67/40/489966740.db2.gz CPRDJWMSNAXOSB-CYBMUJFWSA-N 2 2 374.279 0.538 20 0 FCADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349350 489966741 /nfs/dbraw/zinc/96/67/41/489966741.db2.gz CPRDJWMSNAXOSB-CYBMUJFWSA-N 2 2 374.279 0.538 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420361302 489967441 /nfs/dbraw/zinc/96/74/41/489967441.db2.gz MBNNWQKAJDFRAO-CQSZACIVSA-N 2 2 356.492 0.838 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420355168 489967498 /nfs/dbraw/zinc/96/74/98/489967498.db2.gz DWOOZAINTYISKI-HNNXBMFYSA-N 2 2 354.476 0.770 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420360498 489967781 /nfs/dbraw/zinc/96/77/81/489967781.db2.gz WUKHMEBBWYINGQ-JBEPLPHGSA-N 2 2 352.479 0.421 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420360498 489967782 /nfs/dbraw/zinc/96/77/82/489967782.db2.gz WUKHMEBBWYINGQ-JBEPLPHGSA-N 2 2 352.479 0.421 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1C ZINC000420372050 489968222 /nfs/dbraw/zinc/96/82/22/489968222.db2.gz XTAPLQRHLZIEPT-HNNXBMFYSA-N 2 2 368.503 0.819 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374765 489969432 /nfs/dbraw/zinc/96/94/32/489969432.db2.gz SJLIKEXXHAEMSI-MSOLQXFVSA-N 3 2 354.539 0.957 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000420374765 489969434 /nfs/dbraw/zinc/96/94/34/489969434.db2.gz SJLIKEXXHAEMSI-MSOLQXFVSA-N 3 2 354.539 0.957 20 0 FCADLP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420383150 489969473 /nfs/dbraw/zinc/96/94/73/489969473.db2.gz FERDZYCGJIGEBT-GOEBONIOSA-N 2 2 365.474 0.801 20 0 FCADLP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420383150 489969475 /nfs/dbraw/zinc/96/94/75/489969475.db2.gz FERDZYCGJIGEBT-GOEBONIOSA-N 2 2 365.474 0.801 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000420376919 489969644 /nfs/dbraw/zinc/96/96/44/489969644.db2.gz VQJIWKCKQZVTBJ-PSTGCABASA-N 2 2 366.487 0.199 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420386943 489970575 /nfs/dbraw/zinc/97/05/75/489970575.db2.gz VJQFGZACDCKPHE-INIZCTEOSA-N 2 2 372.429 0.799 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420386943 489970576 /nfs/dbraw/zinc/97/05/76/489970576.db2.gz VJQFGZACDCKPHE-INIZCTEOSA-N 2 2 372.429 0.799 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000477995752 489999343 /nfs/dbraw/zinc/99/93/43/489999343.db2.gz VZQYHSIPDYONFT-GPMSIDNRSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000477995752 489999346 /nfs/dbraw/zinc/99/93/46/489999346.db2.gz VZQYHSIPDYONFT-GPMSIDNRSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCc3ccco3)CC2)CC1 ZINC000420590217 489999460 /nfs/dbraw/zinc/99/94/60/489999460.db2.gz VUJLJPOPBJPMFI-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCc3ccco3)CC2)CC1 ZINC000420590217 489999464 /nfs/dbraw/zinc/99/94/64/489999464.db2.gz VUJLJPOPBJPMFI-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCCCOC)CC2)CC1 ZINC000420635613 490003063 /nfs/dbraw/zinc/00/30/63/490003063.db2.gz ZYLSGXCZJGGORF-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCCCOC)CC2)CC1 ZINC000420635613 490003066 /nfs/dbraw/zinc/00/30/66/490003066.db2.gz ZYLSGXCZJGGORF-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CN(C)c1noc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000378083556 490007716 /nfs/dbraw/zinc/00/77/16/490007716.db2.gz ASLDIYHABWVNKH-LBPRGKRZSA-N 2 2 351.455 0.103 20 0 FCADLP CN(C)c1noc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000378083556 490007718 /nfs/dbraw/zinc/00/77/18/490007718.db2.gz ASLDIYHABWVNKH-LBPRGKRZSA-N 2 2 351.455 0.103 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000463356038 490012525 /nfs/dbraw/zinc/01/25/25/490012525.db2.gz YSVJHUOQQFDFPS-GOSISDBHSA-N 2 2 369.531 0.801 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000571284606 491298208 /nfs/dbraw/zinc/29/82/08/491298208.db2.gz FSNQXUZSHNKHKG-VXGBXAGGSA-N 2 2 354.476 0.371 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289397 491298214 /nfs/dbraw/zinc/29/82/14/491298214.db2.gz ABOVFFAXAPSWJZ-AZUAARDMSA-N 3 2 361.534 0.886 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289397 491298216 /nfs/dbraw/zinc/29/82/16/491298216.db2.gz ABOVFFAXAPSWJZ-AZUAARDMSA-N 3 2 361.534 0.886 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000378201402 490028037 /nfs/dbraw/zinc/02/80/37/490028037.db2.gz JJZJMNFTZDJGIJ-UHFFFAOYSA-N 2 2 372.513 0.885 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000378201402 490028041 /nfs/dbraw/zinc/02/80/41/490028041.db2.gz JJZJMNFTZDJGIJ-UHFFFAOYSA-N 2 2 372.513 0.885 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000556109889 491295465 /nfs/dbraw/zinc/29/54/65/491295465.db2.gz MVKITQQAMRNLRF-PMPSAXMXSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000556109889 491295467 /nfs/dbraw/zinc/29/54/67/491295467.db2.gz MVKITQQAMRNLRF-PMPSAXMXSA-N 2 2 354.495 0.155 20 0 FCADLP COc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283891 490039727 /nfs/dbraw/zinc/03/97/27/490039727.db2.gz PMGYKPAJCULSLJ-JSGCOSHPSA-N 2 2 355.398 0.945 20 0 FCADLP COc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283891 490039731 /nfs/dbraw/zinc/03/97/31/490039731.db2.gz PMGYKPAJCULSLJ-JSGCOSHPSA-N 2 2 355.398 0.945 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000556110951 491295553 /nfs/dbraw/zinc/29/55/53/491295553.db2.gz TTZYLMCGHOKJHL-NVXWUHKLSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000556110951 491295556 /nfs/dbraw/zinc/29/55/56/491295556.db2.gz TTZYLMCGHOKJHL-NVXWUHKLSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000556111848 491295604 /nfs/dbraw/zinc/29/56/04/491295604.db2.gz RVFSYJYOEAQOAI-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H]1[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000478855383 490043960 /nfs/dbraw/zinc/04/39/60/490043960.db2.gz FVSOSTRMUHURNA-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000478855383 490043963 /nfs/dbraw/zinc/04/39/63/490043963.db2.gz FVSOSTRMUHURNA-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855383 490043968 /nfs/dbraw/zinc/04/39/68/490043968.db2.gz FVSOSTRMUHURNA-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855383 490043973 /nfs/dbraw/zinc/04/39/73/490043973.db2.gz FVSOSTRMUHURNA-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000479038470 490064025 /nfs/dbraw/zinc/06/40/25/490064025.db2.gz DUDCLKZDFCBUKF-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000479038470 490064029 /nfs/dbraw/zinc/06/40/29/490064029.db2.gz DUDCLKZDFCBUKF-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000479038470 490064032 /nfs/dbraw/zinc/06/40/32/490064032.db2.gz DUDCLKZDFCBUKF-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000479038470 490064037 /nfs/dbraw/zinc/06/40/37/490064037.db2.gz DUDCLKZDFCBUKF-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[N@H+]1CC=C(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000378451390 490067646 /nfs/dbraw/zinc/06/76/46/490067646.db2.gz JPUQJBFVGYUZGW-QGZVFWFLSA-N 2 2 354.520 0.755 20 0 FCADLP C[N@@H+]1CC=C(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000378451390 490067647 /nfs/dbraw/zinc/06/76/47/490067647.db2.gz JPUQJBFVGYUZGW-QGZVFWFLSA-N 2 2 354.520 0.755 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000464800843 490069130 /nfs/dbraw/zinc/06/91/30/490069130.db2.gz YCZDYHWFLXKMLF-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000464800843 490069134 /nfs/dbraw/zinc/06/91/34/490069134.db2.gz YCZDYHWFLXKMLF-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP [NH3+]CCc1nc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cs1 ZINC000479206850 490073826 /nfs/dbraw/zinc/07/38/26/490073826.db2.gz OIUGSPVBOVDZAK-UHFFFAOYSA-N 2 2 365.503 0.415 20 0 FCADLP [NH3+]CCc1nc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cs1 ZINC000479206850 490073829 /nfs/dbraw/zinc/07/38/29/490073829.db2.gz OIUGSPVBOVDZAK-UHFFFAOYSA-N 2 2 365.503 0.415 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000378502296 490074606 /nfs/dbraw/zinc/07/46/06/490074606.db2.gz VXVNNVYQIHGUHU-JFIYKMOQSA-N 2 2 368.547 0.930 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000378502296 490074608 /nfs/dbraw/zinc/07/46/08/490074608.db2.gz VXVNNVYQIHGUHU-JFIYKMOQSA-N 2 2 368.547 0.930 20 0 FCADLP CC[C@H](COC)NC(=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421342572 490076403 /nfs/dbraw/zinc/07/64/03/490076403.db2.gz YDTUFQMFCKDVTN-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@H](COC)NC(=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421342572 490076411 /nfs/dbraw/zinc/07/64/11/490076411.db2.gz YDTUFQMFCKDVTN-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000545165304 490088553 /nfs/dbraw/zinc/08/85/53/490088553.db2.gz ABOZUJKNLQJEGZ-KRWDZBQOSA-N 2 2 356.463 0.695 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000545165304 490088555 /nfs/dbraw/zinc/08/85/55/490088555.db2.gz ABOZUJKNLQJEGZ-KRWDZBQOSA-N 2 2 356.463 0.695 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000519819951 490091459 /nfs/dbraw/zinc/09/14/59/490091459.db2.gz BTCMBSMIYDIVCH-TUVASFSCSA-N 2 2 374.428 0.764 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000506566375 490105001 /nfs/dbraw/zinc/10/50/01/490105001.db2.gz XWQLNKVIJKKAGN-GDBMZVCRSA-N 2 2 359.536 0.684 20 0 FCADLP CN(C(=O)[C@]12C[C@H]1CCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000421770406 490105725 /nfs/dbraw/zinc/10/57/25/490105725.db2.gz URNMEDQAYHRPMU-OXQOHEQNSA-N 2 2 362.518 0.873 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN3CSCC3=O)CC2)CC1 ZINC000422010829 490126170 /nfs/dbraw/zinc/12/61/70/490126170.db2.gz TWVBJUJITVBKTJ-UHFFFAOYSA-N 2 2 354.520 0.538 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN3CSCC3=O)CC2)CC1 ZINC000422010829 490126174 /nfs/dbraw/zinc/12/61/74/490126174.db2.gz TWVBJUJITVBKTJ-UHFFFAOYSA-N 2 2 354.520 0.538 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382772476 490128737 /nfs/dbraw/zinc/12/87/37/490128737.db2.gz DXEATBCMWDTRDY-DOTOQJQBSA-N 2 2 353.488 0.511 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382772476 490128742 /nfs/dbraw/zinc/12/87/42/490128742.db2.gz DXEATBCMWDTRDY-DOTOQJQBSA-N 2 2 353.488 0.511 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497050980 490138219 /nfs/dbraw/zinc/13/82/19/490138219.db2.gz YOOLHVNZXUFEKO-MHORFTMASA-N 2 2 371.522 0.272 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497050980 490138225 /nfs/dbraw/zinc/13/82/25/490138225.db2.gz YOOLHVNZXUFEKO-MHORFTMASA-N 2 2 371.522 0.272 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)c1 ZINC000497292042 490143519 /nfs/dbraw/zinc/14/35/19/490143519.db2.gz FUNJVCGZRPPDGS-UHFFFAOYSA-N 2 2 363.458 0.726 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000465829273 490143949 /nfs/dbraw/zinc/14/39/49/490143949.db2.gz AKCARHGGPAPUBD-MRXNPFEDSA-N 2 2 355.527 0.912 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000465829273 490143953 /nfs/dbraw/zinc/14/39/53/490143953.db2.gz AKCARHGGPAPUBD-MRXNPFEDSA-N 2 2 355.527 0.912 20 0 FCADLP COCCOC[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465819455 490144162 /nfs/dbraw/zinc/14/41/62/490144162.db2.gz QUJHKCMTGABGFV-OAHLLOKOSA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000545509982 490147713 /nfs/dbraw/zinc/14/77/13/490147713.db2.gz KYTXIKSJGYJSFH-OAHLLOKOSA-N 2 2 366.510 0.258 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000465923830 490152505 /nfs/dbraw/zinc/15/25/05/490152505.db2.gz RGZYXANUOUKZFC-INIZCTEOSA-N 2 2 357.568 0.608 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000465923830 490152513 /nfs/dbraw/zinc/15/25/13/490152513.db2.gz RGZYXANUOUKZFC-INIZCTEOSA-N 2 2 357.568 0.608 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000520611252 490170275 /nfs/dbraw/zinc/17/02/75/490170275.db2.gz JGUNVDLMBJSEQX-ZOBUZTSGSA-N 2 2 360.433 0.873 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000520611252 490170281 /nfs/dbraw/zinc/17/02/81/490170281.db2.gz JGUNVDLMBJSEQX-ZOBUZTSGSA-N 2 2 360.433 0.873 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCOCC[NH+](CC)CC)C2)CC1 ZINC000546042058 490181709 /nfs/dbraw/zinc/18/17/09/490181709.db2.gz RKIRUUXUAJWIOE-GOSISDBHSA-N 2 2 369.554 0.766 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000520812900 490192343 /nfs/dbraw/zinc/19/23/43/490192343.db2.gz IRXBHSCVGSTXTR-MJBXVCDLSA-N 2 2 363.462 0.369 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839758 490195899 /nfs/dbraw/zinc/19/58/99/490195899.db2.gz RGCGDKBKJUILMG-ZBFHGGJFSA-N 2 2 352.479 0.086 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839758 490195905 /nfs/dbraw/zinc/19/59/05/490195905.db2.gz RGCGDKBKJUILMG-ZBFHGGJFSA-N 2 2 352.479 0.086 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839756 490196834 /nfs/dbraw/zinc/19/68/34/490196834.db2.gz RGCGDKBKJUILMG-GOEBONIOSA-N 2 2 352.479 0.086 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839756 490196840 /nfs/dbraw/zinc/19/68/40/490196840.db2.gz RGCGDKBKJUILMG-GOEBONIOSA-N 2 2 352.479 0.086 20 0 FCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000507369956 490205487 /nfs/dbraw/zinc/20/54/87/490205487.db2.gz KUMZFVJMIQBRKT-UHFFFAOYSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000507369956 490205491 /nfs/dbraw/zinc/20/54/91/490205491.db2.gz KUMZFVJMIQBRKT-UHFFFAOYSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000520979806 490210490 /nfs/dbraw/zinc/21/04/90/490210490.db2.gz NWHIIFWIIHMYFO-CQSZACIVSA-N 2 2 350.467 0.514 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000556308127 491309094 /nfs/dbraw/zinc/30/90/94/491309094.db2.gz APCHZGDWJBPEBD-HOTGVXAUSA-N 2 2 365.478 0.251 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000497936563 490234680 /nfs/dbraw/zinc/23/46/80/490234680.db2.gz GLWSABXCWPSOKD-LBPRGKRZSA-N 2 2 355.402 0.464 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000447438732 490236144 /nfs/dbraw/zinc/23/61/44/490236144.db2.gz HVIYRLNESSNFIU-JXFKEZNVSA-N 2 2 374.485 0.252 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000422311414 490249647 /nfs/dbraw/zinc/24/96/47/490249647.db2.gz YJGLFBFOVBXXOL-OAHLLOKOSA-N 2 2 355.442 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000422311414 490249653 /nfs/dbraw/zinc/24/96/53/490249653.db2.gz YJGLFBFOVBXXOL-OAHLLOKOSA-N 2 2 355.442 0.769 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cnn(C)c3C)CC2)CC1 ZINC000521431349 490259989 /nfs/dbraw/zinc/25/99/89/490259989.db2.gz QUJJJGKOLKNSOW-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cnn(C)c3C)CC2)CC1 ZINC000521431349 490259994 /nfs/dbraw/zinc/25/99/94/490259994.db2.gz QUJJJGKOLKNSOW-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508717 491312365 /nfs/dbraw/zinc/31/23/65/491312365.db2.gz FHLVWUCSPGYVBV-IRXDYDNUSA-N 2 2 370.457 0.494 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508717 491312366 /nfs/dbraw/zinc/31/23/66/491312366.db2.gz FHLVWUCSPGYVBV-IRXDYDNUSA-N 2 2 370.457 0.494 20 0 FCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498165377 490265921 /nfs/dbraw/zinc/26/59/21/490265921.db2.gz HXDKJJSWNUARBU-RIEGTJTDSA-N 2 2 356.829 0.791 20 0 FCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498165377 490265927 /nfs/dbraw/zinc/26/59/27/490265927.db2.gz HXDKJJSWNUARBU-RIEGTJTDSA-N 2 2 356.829 0.791 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCOCC[NH+](C)C)c1C ZINC000521494666 490269553 /nfs/dbraw/zinc/26/95/53/490269553.db2.gz PYLFUMPSQXFHTF-UHFFFAOYSA-N 2 2 366.462 0.360 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571541218 491314637 /nfs/dbraw/zinc/31/46/37/491314637.db2.gz YWASZWFPGWVCFM-XYJFISCASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571541218 491314638 /nfs/dbraw/zinc/31/46/38/491314638.db2.gz YWASZWFPGWVCFM-XYJFISCASA-N 2 2 374.485 0.212 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000447912535 490290087 /nfs/dbraw/zinc/29/00/87/490290087.db2.gz GWLAHYNJMCXHDG-RTBURBONSA-N 2 2 361.486 0.769 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467489242 490298458 /nfs/dbraw/zinc/29/84/58/490298458.db2.gz DANHRAXXGJSLHM-MJQMVNBJSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467489242 490298464 /nfs/dbraw/zinc/29/84/64/490298464.db2.gz DANHRAXXGJSLHM-MJQMVNBJSA-N 2 2 371.522 0.320 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[NH+]2CCC1CC2 ZINC000556455473 491315604 /nfs/dbraw/zinc/31/56/04/491315604.db2.gz ZLQUXOYGYZJJSH-UHFFFAOYSA-N 2 2 363.506 0.420 20 0 FCADLP CC(C)C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000571565651 491316203 /nfs/dbraw/zinc/31/62/03/491316203.db2.gz MBQJPEFDFHSOKJ-KRWDZBQOSA-N 3 2 367.538 0.057 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000521925893 490312384 /nfs/dbraw/zinc/31/23/84/490312384.db2.gz NNSGQAKMZUHHIR-AWEZNQCLSA-N 2 2 366.487 0.513 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000521925893 490312390 /nfs/dbraw/zinc/31/23/90/490312390.db2.gz NNSGQAKMZUHHIR-AWEZNQCLSA-N 2 2 366.487 0.513 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000534126524 490322428 /nfs/dbraw/zinc/32/24/28/490322428.db2.gz UBEFJQCGNOLSSL-HKUYNNGSSA-N 2 2 373.497 0.968 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000534126524 490322432 /nfs/dbraw/zinc/32/24/32/490322432.db2.gz UBEFJQCGNOLSSL-HKUYNNGSSA-N 2 2 373.497 0.968 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000467641644 490324975 /nfs/dbraw/zinc/32/49/75/490324975.db2.gz SNLITTIDCPJJBL-OAHLLOKOSA-N 2 2 370.519 0.974 20 0 FCADLP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])c3cscn3)cn2)CC1 ZINC000564653308 491318390 /nfs/dbraw/zinc/31/83/90/491318390.db2.gz CEOAXDREHRGHBT-MRXNPFEDSA-N 2 2 360.487 0.996 20 0 FCADLP C[C@@H]1CC[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470296 490340835 /nfs/dbraw/zinc/34/08/35/490340835.db2.gz AYPPASSMINKPPW-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1CC[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470296 490340841 /nfs/dbraw/zinc/34/08/41/490340841.db2.gz AYPPASSMINKPPW-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000422491285 490356441 /nfs/dbraw/zinc/35/64/41/490356441.db2.gz TTYDGGDOIIJFGK-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000422491285 490356444 /nfs/dbraw/zinc/35/64/44/490356444.db2.gz TTYDGGDOIIJFGK-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000422491285 490356452 /nfs/dbraw/zinc/35/64/52/490356452.db2.gz TTYDGGDOIIJFGK-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000422491285 490356460 /nfs/dbraw/zinc/35/64/60/490356460.db2.gz TTYDGGDOIIJFGK-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000522273622 490363266 /nfs/dbraw/zinc/36/32/66/490363266.db2.gz ZCZYAMGSXGIJCF-UHFFFAOYSA-N 2 2 355.446 0.516 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470849 490364028 /nfs/dbraw/zinc/36/40/28/490364028.db2.gz FGXJHCLHQQCARH-MJGOQNOKSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470849 490364037 /nfs/dbraw/zinc/36/40/37/490364037.db2.gz FGXJHCLHQQCARH-MJGOQNOKSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470849 490364046 /nfs/dbraw/zinc/36/40/46/490364046.db2.gz FGXJHCLHQQCARH-MJGOQNOKSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470849 490364054 /nfs/dbraw/zinc/36/40/54/490364054.db2.gz FGXJHCLHQQCARH-MJGOQNOKSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cn3c(n2)SCC3)CC1 ZINC000468136395 490368327 /nfs/dbraw/zinc/36/83/27/490368327.db2.gz OCQBWYRZUOQQMV-UHFFFAOYSA-N 2 2 366.535 0.857 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067135 490385310 /nfs/dbraw/zinc/38/53/10/490385310.db2.gz KCXLZTCSLDYVNU-JYJNAYRXSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067135 490385314 /nfs/dbraw/zinc/38/53/14/490385314.db2.gz KCXLZTCSLDYVNU-JYJNAYRXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000509080588 490386037 /nfs/dbraw/zinc/38/60/37/490386037.db2.gz GNQRPZZKJNXFDK-JTDSTZFVSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000509080588 490386045 /nfs/dbraw/zinc/38/60/45/490386045.db2.gz GNQRPZZKJNXFDK-JTDSTZFVSA-N 2 2 361.486 0.836 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000556600995 491322380 /nfs/dbraw/zinc/32/23/80/491322380.db2.gz SONUYBBVKUTNAV-MRXNPFEDSA-N 2 2 364.494 1.163 20 0 FCADLP CC[NH+]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000522726461 490398402 /nfs/dbraw/zinc/39/84/02/490398402.db2.gz HCTQYNOTIBEILH-UHFFFAOYSA-N 3 2 360.506 0.941 20 0 FCADLP CC[C@]1(O)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000547972099 490399278 /nfs/dbraw/zinc/39/92/78/490399278.db2.gz ADOATAFTLCPGEU-IBGZPJMESA-N 2 2 353.507 0.985 20 0 FCADLP CC[C@]1(O)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000547972099 490399285 /nfs/dbraw/zinc/39/92/85/490399285.db2.gz ADOATAFTLCPGEU-IBGZPJMESA-N 2 2 353.507 0.985 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000548009299 490404340 /nfs/dbraw/zinc/40/43/40/490404340.db2.gz SLNDDHCCUNJKAM-ZWKOTPCHSA-N 2 2 363.506 0.982 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000548009299 490404341 /nfs/dbraw/zinc/40/43/41/490404341.db2.gz SLNDDHCCUNJKAM-ZWKOTPCHSA-N 2 2 363.506 0.982 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411231855 490409561 /nfs/dbraw/zinc/40/95/61/490409561.db2.gz XAEUWVIAMGTHDJ-HNNXBMFYSA-N 2 2 359.430 0.482 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000499510358 490431532 /nfs/dbraw/zinc/43/15/32/490431532.db2.gz GOZXWSSJBOUTOH-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000499510358 490431536 /nfs/dbraw/zinc/43/15/36/490431536.db2.gz GOZXWSSJBOUTOH-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP OCC[NH+]1CCN(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000509478138 490432192 /nfs/dbraw/zinc/43/21/92/490432192.db2.gz UZJLIGBPLAICEM-UHFFFAOYSA-N 2 2 366.472 0.993 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000422627100 490433011 /nfs/dbraw/zinc/43/30/11/490433011.db2.gz MSYZDSNUMCJGFS-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000422627100 490433018 /nfs/dbraw/zinc/43/30/18/490433018.db2.gz MSYZDSNUMCJGFS-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422634155 490436763 /nfs/dbraw/zinc/43/67/63/490436763.db2.gz JFSANZSEKYGQAT-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422634155 490436769 /nfs/dbraw/zinc/43/67/69/490436769.db2.gz JFSANZSEKYGQAT-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535011677 490437509 /nfs/dbraw/zinc/43/75/09/490437509.db2.gz CUNLSXODCYARJK-SQNIBIBYSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535011677 490437516 /nfs/dbraw/zinc/43/75/16/490437516.db2.gz CUNLSXODCYARJK-SQNIBIBYSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)c1cc(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000509610975 490442849 /nfs/dbraw/zinc/44/28/49/490442849.db2.gz YIBKXKORXPGJHR-CYBMUJFWSA-N 2 2 350.467 0.288 20 0 FCADLP CC(C)c1cc(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000509610975 490442853 /nfs/dbraw/zinc/44/28/53/490442853.db2.gz YIBKXKORXPGJHR-CYBMUJFWSA-N 2 2 350.467 0.288 20 0 FCADLP COCCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000571762672 491327350 /nfs/dbraw/zinc/32/73/50/491327350.db2.gz AVMXLODVACOSLD-SQNIBIBYSA-N 2 2 370.515 0.443 20 0 FCADLP COCCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000571762672 491327351 /nfs/dbraw/zinc/32/73/51/491327351.db2.gz AVMXLODVACOSLD-SQNIBIBYSA-N 2 2 370.515 0.443 20 0 FCADLP CO[C@H]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](C[NH3+])C1 ZINC000564802220 491327531 /nfs/dbraw/zinc/32/75/31/491327531.db2.gz KCAALVDFSHOBSD-CVEARBPZSA-N 2 2 366.531 0.830 20 0 FCADLP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000548343335 490466097 /nfs/dbraw/zinc/46/60/97/490466097.db2.gz FRSNLRRUVGYGNI-GDBMZVCRSA-N 2 2 351.451 0.662 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2cc(F)cc3c2OCOC3)[C@@H](C[NH3+])C1 ZINC000571773386 491328362 /nfs/dbraw/zinc/32/83/62/491328362.db2.gz UOMJAFOVMFNPTP-HNNXBMFYSA-N 2 2 352.410 0.519 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2cc(F)cc3c2OCOC3)[C@@H](C[NH3+])C1 ZINC000571773386 491328363 /nfs/dbraw/zinc/32/83/63/491328363.db2.gz UOMJAFOVMFNPTP-HNNXBMFYSA-N 2 2 352.410 0.519 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484888855 490475556 /nfs/dbraw/zinc/47/55/56/490475556.db2.gz BENGBUAOWMPNOK-TVFCKZIOSA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484888855 490475565 /nfs/dbraw/zinc/47/55/65/490475565.db2.gz BENGBUAOWMPNOK-TVFCKZIOSA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484888855 490475574 /nfs/dbraw/zinc/47/55/74/490475574.db2.gz BENGBUAOWMPNOK-TVFCKZIOSA-N 2 2 352.523 0.676 20 0 FCADLP COCC[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000469001044 490476560 /nfs/dbraw/zinc/47/65/60/490476560.db2.gz OHJCMTKJZOQRBY-UHFFFAOYSA-N 2 2 361.490 0.384 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906152 490477582 /nfs/dbraw/zinc/47/75/82/490477582.db2.gz MTGROGNVMYUOPB-CHWSQXEVSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906152 490477588 /nfs/dbraw/zinc/47/75/88/490477588.db2.gz MTGROGNVMYUOPB-CHWSQXEVSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000484910446 490477927 /nfs/dbraw/zinc/47/79/27/490477927.db2.gz UYSZLAPCNTWOSC-FRRDWIJNSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000484910446 490477931 /nfs/dbraw/zinc/47/79/31/490477931.db2.gz UYSZLAPCNTWOSC-FRRDWIJNSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)[NH2+]1 ZINC000422826343 490481390 /nfs/dbraw/zinc/48/13/90/490481390.db2.gz QTVGVSAUQWWHIH-HZPDHXFCSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422842828 490484946 /nfs/dbraw/zinc/48/49/46/490484946.db2.gz GPEDZVHCPXRMDS-IAGOWNOFSA-N 3 2 361.490 0.477 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422842828 490484951 /nfs/dbraw/zinc/48/49/51/490484951.db2.gz GPEDZVHCPXRMDS-IAGOWNOFSA-N 2 2 361.490 0.477 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993185 490487356 /nfs/dbraw/zinc/48/73/56/490487356.db2.gz GZNJBQOZSCQDOE-LPHOPBHVSA-N 3 2 372.513 0.935 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993185 490487361 /nfs/dbraw/zinc/48/73/61/490487361.db2.gz GZNJBQOZSCQDOE-LPHOPBHVSA-N 3 2 372.513 0.935 20 0 FCADLP COc1cc2[nH+]c(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)nc(N)c2cc1OC ZINC000450794952 490490180 /nfs/dbraw/zinc/49/01/80/490490180.db2.gz OFNIYILMYSCDKN-TXEJJXNPSA-N 2 2 361.446 1.121 20 0 FCADLP COc1cc2[nH+]c(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)nc(N)c2cc1OC ZINC000450794952 490490186 /nfs/dbraw/zinc/49/01/86/490490186.db2.gz OFNIYILMYSCDKN-TXEJJXNPSA-N 2 2 361.446 1.121 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000660192870 493333680 /nfs/dbraw/zinc/33/36/80/493333680.db2.gz RZVLLSXNKWCVRG-QGZVFWFLSA-N 2 2 368.522 0.545 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000510332709 490508707 /nfs/dbraw/zinc/50/87/07/490508707.db2.gz KOESEXZLMMCBTR-RHSMWYFYSA-N 2 2 351.451 0.254 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000423016739 490518493 /nfs/dbraw/zinc/51/84/93/490518493.db2.gz ULVLJTWPDSYYHA-QGZVFWFLSA-N 2 2 358.486 0.707 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423025843 490523276 /nfs/dbraw/zinc/52/32/76/490523276.db2.gz PEWMHESHTKJLJF-MRXNPFEDSA-N 2 2 360.458 0.030 20 0 FCADLP C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000510516982 490523603 /nfs/dbraw/zinc/52/36/03/490523603.db2.gz GDBTXQPWZVXJPP-UHFFFAOYSA-N 2 2 367.515 0.855 20 0 FCADLP C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000510516982 490523608 /nfs/dbraw/zinc/52/36/08/490523608.db2.gz GDBTXQPWZVXJPP-UHFFFAOYSA-N 2 2 367.515 0.855 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423032843 490524962 /nfs/dbraw/zinc/52/49/62/490524962.db2.gz YUDQNMUCAWMCMN-INIZCTEOSA-N 2 2 360.458 0.159 20 0 FCADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C(C)(C)C1 ZINC000500487736 490525492 /nfs/dbraw/zinc/52/54/92/490525492.db2.gz DALOVCPNVQMWGM-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C(C)(C)C1 ZINC000500487736 490525496 /nfs/dbraw/zinc/52/54/96/490525496.db2.gz DALOVCPNVQMWGM-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000423038781 490527373 /nfs/dbraw/zinc/52/73/73/490527373.db2.gz PAPXYQUCQZONLF-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000564882415 491333613 /nfs/dbraw/zinc/33/36/13/491333613.db2.gz LFKSTUINTGCKQA-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423058096 490531505 /nfs/dbraw/zinc/53/15/05/490531505.db2.gz IVCQKQNCWFNDMY-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)[C@@H](C[NH3+])C1 ZINC000571891510 491335131 /nfs/dbraw/zinc/33/51/31/491335131.db2.gz AHEBWJYSFXXTLA-ZDUSSCGKSA-N 2 2 364.425 0.852 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)[C@@H](C[NH3+])C1 ZINC000571891510 491335132 /nfs/dbraw/zinc/33/51/32/491335132.db2.gz AHEBWJYSFXXTLA-ZDUSSCGKSA-N 2 2 364.425 0.852 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000524640171 490548961 /nfs/dbraw/zinc/54/89/61/490548961.db2.gz IOOMVUONTIKGIG-SFHVURJKSA-N 2 2 360.506 0.591 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000524640171 490548963 /nfs/dbraw/zinc/54/89/63/490548963.db2.gz IOOMVUONTIKGIG-SFHVURJKSA-N 2 2 360.506 0.591 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000524640171 490548964 /nfs/dbraw/zinc/54/89/64/490548964.db2.gz IOOMVUONTIKGIG-SFHVURJKSA-N 2 2 360.506 0.591 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000524640171 490548966 /nfs/dbraw/zinc/54/89/66/490548966.db2.gz IOOMVUONTIKGIG-SFHVURJKSA-N 2 2 360.506 0.591 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000485632546 490550847 /nfs/dbraw/zinc/55/08/47/490550847.db2.gz WYUSKJVQAHHTQD-IKGGRYGDSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000485632546 490550855 /nfs/dbraw/zinc/55/08/55/490550855.db2.gz WYUSKJVQAHHTQD-IKGGRYGDSA-N 2 2 350.507 0.729 20 0 FCADLP C[N@H+](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCSC1 ZINC000536072360 490551055 /nfs/dbraw/zinc/55/10/55/490551055.db2.gz NVXPUSMQRWUYTF-GDBMZVCRSA-N 2 2 359.561 0.748 20 0 FCADLP C[N@@H+](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCSC1 ZINC000536072360 490551057 /nfs/dbraw/zinc/55/10/57/490551057.db2.gz NVXPUSMQRWUYTF-GDBMZVCRSA-N 2 2 359.561 0.748 20 0 FCADLP C[N@H+](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCSC1 ZINC000536072370 490551073 /nfs/dbraw/zinc/55/10/73/490551073.db2.gz NVXPUSMQRWUYTF-HOCLYGCPSA-N 2 2 359.561 0.748 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCSC1 ZINC000536072370 490551074 /nfs/dbraw/zinc/55/10/74/490551074.db2.gz NVXPUSMQRWUYTF-HOCLYGCPSA-N 2 2 359.561 0.748 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000500790228 490553620 /nfs/dbraw/zinc/55/36/20/490553620.db2.gz HJHBYUCXCLQDGE-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000511081267 490559687 /nfs/dbraw/zinc/55/96/87/490559687.db2.gz IMUYJBKWRUCRFL-INIZCTEOSA-N 2 2 363.506 0.859 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)[C@H]1CCNC1=O ZINC000536181475 490560180 /nfs/dbraw/zinc/56/01/80/490560180.db2.gz YOFNPBBJTRSMNZ-YJBOKZPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)[C@H]1CCNC1=O ZINC000536181475 490560184 /nfs/dbraw/zinc/56/01/84/490560184.db2.gz YOFNPBBJTRSMNZ-YJBOKZPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000571901884 491336495 /nfs/dbraw/zinc/33/64/95/491336495.db2.gz JLWSQKJQEVFFFQ-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000524925492 490570809 /nfs/dbraw/zinc/57/08/09/490570809.db2.gz YGLQKMVUBVHIPI-MRXNPFEDSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000524925492 490570815 /nfs/dbraw/zinc/57/08/15/490570815.db2.gz YGLQKMVUBVHIPI-MRXNPFEDSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@H]1CN(CC[N@@H+]2CCCN(CC[NH+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129392 490581667 /nfs/dbraw/zinc/58/16/67/490581667.db2.gz ADBVOGNCCRKNRW-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP C[C@H]1CN(CC[N@H+]2CCCN(CC[NH+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129392 490581670 /nfs/dbraw/zinc/58/16/70/490581670.db2.gz ADBVOGNCCRKNRW-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP C[C@H]1CN(CC[NH+]2CCCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129392 490581674 /nfs/dbraw/zinc/58/16/74/490581674.db2.gz ADBVOGNCCRKNRW-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP C[C@H]1CN(CC[NH+]2CCCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129392 490581675 /nfs/dbraw/zinc/58/16/75/490581675.db2.gz ADBVOGNCCRKNRW-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114323 490591568 /nfs/dbraw/zinc/59/15/68/490591568.db2.gz ALNKOPMDQBNQSA-CZUORRHYSA-N 2 2 359.474 0.597 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114323 490591571 /nfs/dbraw/zinc/59/15/71/490591571.db2.gz ALNKOPMDQBNQSA-CZUORRHYSA-N 2 2 359.474 0.597 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCC1 ZINC000550003064 490619749 /nfs/dbraw/zinc/61/97/49/490619749.db2.gz LZLXXPRYYFKTOF-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000550081953 490623568 /nfs/dbraw/zinc/62/35/68/490623568.db2.gz FMERKLBTKOVNIW-HNNXBMFYSA-N 2 2 359.430 0.427 20 0 FCADLP O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486431999 490625184 /nfs/dbraw/zinc/62/51/84/490625184.db2.gz FFTHBONPSOBFSX-MJGOQNOKSA-N 2 2 356.470 0.903 20 0 FCADLP O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486431999 490625189 /nfs/dbraw/zinc/62/51/89/490625189.db2.gz FFTHBONPSOBFSX-MJGOQNOKSA-N 2 2 356.470 0.903 20 0 FCADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458632 490630231 /nfs/dbraw/zinc/63/02/31/490630231.db2.gz SBQYUDKUZDALMN-NVXWUHKLSA-N 2 2 372.469 0.697 20 0 FCADLP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458632 490630235 /nfs/dbraw/zinc/63/02/35/490630235.db2.gz SBQYUDKUZDALMN-NVXWUHKLSA-N 2 2 372.469 0.697 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000486458163 490630377 /nfs/dbraw/zinc/63/03/77/490630377.db2.gz HBUQACRWIUHJAO-MRXNPFEDSA-N 2 2 355.446 0.101 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000486458163 490630380 /nfs/dbraw/zinc/63/03/80/490630380.db2.gz HBUQACRWIUHJAO-MRXNPFEDSA-N 2 2 355.446 0.101 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454718 490630705 /nfs/dbraw/zinc/63/07/05/490630705.db2.gz KAWSEXJWJQPKCY-CQSZACIVSA-N 2 2 350.488 0.569 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454718 490630709 /nfs/dbraw/zinc/63/07/09/490630709.db2.gz KAWSEXJWJQPKCY-CQSZACIVSA-N 2 2 350.488 0.569 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486458581 490630803 /nfs/dbraw/zinc/63/08/03/490630803.db2.gz IYVOQSBBUKZIIA-HKUYNNGSSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486458581 490630813 /nfs/dbraw/zinc/63/08/13/490630813.db2.gz IYVOQSBBUKZIIA-HKUYNNGSSA-N 2 2 372.513 0.938 20 0 FCADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486465054 490634513 /nfs/dbraw/zinc/63/45/13/490634513.db2.gz WIVSYNJKBOXZHN-KRWDZBQOSA-N 2 2 374.485 0.250 20 0 FCADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486465054 490634517 /nfs/dbraw/zinc/63/45/17/490634517.db2.gz WIVSYNJKBOXZHN-KRWDZBQOSA-N 2 2 374.485 0.250 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486463001 490634993 /nfs/dbraw/zinc/63/49/93/490634993.db2.gz RFKXRLUKFWWXRK-DOTOQJQBSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486463001 490634998 /nfs/dbraw/zinc/63/49/98/490634998.db2.gz RFKXRLUKFWWXRK-DOTOQJQBSA-N 2 2 356.470 0.860 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486468923 490635738 /nfs/dbraw/zinc/63/57/38/490635738.db2.gz NLRQWYFEFTZHGL-JCYILVPMSA-N 2 2 350.507 0.920 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486468923 490635740 /nfs/dbraw/zinc/63/57/40/490635740.db2.gz NLRQWYFEFTZHGL-JCYILVPMSA-N 2 2 350.507 0.920 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471457 490636709 /nfs/dbraw/zinc/63/67/09/490636709.db2.gz RJHJJBMDBZWXLI-HOCLYGCPSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471457 490636713 /nfs/dbraw/zinc/63/67/13/490636713.db2.gz RJHJJBMDBZWXLI-HOCLYGCPSA-N 2 2 360.458 0.918 20 0 FCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486470347 490636908 /nfs/dbraw/zinc/63/69/08/490636908.db2.gz PTLUAJNFHNQRNW-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486470347 490636912 /nfs/dbraw/zinc/63/69/12/490636912.db2.gz PTLUAJNFHNQRNW-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021032 490638948 /nfs/dbraw/zinc/63/89/48/490638948.db2.gz ZGFFZBRHHJBCNT-CVEARBPZSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021032 490638953 /nfs/dbraw/zinc/63/89/53/490638953.db2.gz ZGFFZBRHHJBCNT-CVEARBPZSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000537021032 490638958 /nfs/dbraw/zinc/63/89/58/490638958.db2.gz ZGFFZBRHHJBCNT-CVEARBPZSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537021032 490638961 /nfs/dbraw/zinc/63/89/61/490638961.db2.gz ZGFFZBRHHJBCNT-CVEARBPZSA-N 2 2 367.538 0.057 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277473 490650971 /nfs/dbraw/zinc/65/09/71/490650971.db2.gz NTYHLONCPAETDY-HOTGVXAUSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277473 490650975 /nfs/dbraw/zinc/65/09/75/490650975.db2.gz NTYHLONCPAETDY-HOTGVXAUSA-N 2 2 356.511 0.306 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCCO1 ZINC000572013345 491342964 /nfs/dbraw/zinc/34/29/64/491342964.db2.gz UTOFAFUCLRLDON-ZWKOTPCHSA-N 2 2 362.474 0.819 20 0 FCADLP Cn1c2ccc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2oc1=O ZINC000512116849 490660137 /nfs/dbraw/zinc/66/01/37/490660137.db2.gz WPZOBNKYIJEIKY-OAHLLOKOSA-N 2 2 374.441 0.154 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000550361341 490664847 /nfs/dbraw/zinc/66/48/47/490664847.db2.gz ATCCTWOPHYREOI-GJZGRUSLSA-N 2 2 354.495 0.201 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000486842945 490675628 /nfs/dbraw/zinc/67/56/28/490675628.db2.gz RCJNBMIRKBJZMF-CQSZACIVSA-N 2 2 364.446 0.980 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000486842945 490675632 /nfs/dbraw/zinc/67/56/32/490675632.db2.gz RCJNBMIRKBJZMF-CQSZACIVSA-N 2 2 364.446 0.980 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000502652814 490714484 /nfs/dbraw/zinc/71/44/84/490714484.db2.gz VDRBCKVBWDGIOK-QGZVFWFLSA-N 2 2 351.451 0.030 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)CCC(N)=O ZINC000513209801 490714627 /nfs/dbraw/zinc/71/46/27/490714627.db2.gz LEXRTQRQFOMCOV-OAHLLOKOSA-N 2 2 362.474 0.331 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)CCC(N)=O ZINC000513209801 490714631 /nfs/dbraw/zinc/71/46/31/490714631.db2.gz LEXRTQRQFOMCOV-OAHLLOKOSA-N 2 2 362.474 0.331 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000557013496 491349096 /nfs/dbraw/zinc/34/90/96/491349096.db2.gz UTIDXLJGNMHQBY-OAHLLOKOSA-N 2 2 353.426 0.841 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557013496 491349098 /nfs/dbraw/zinc/34/90/98/491349098.db2.gz UTIDXLJGNMHQBY-OAHLLOKOSA-N 2 2 353.426 0.841 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008947 491349319 /nfs/dbraw/zinc/34/93/19/491349319.db2.gz GZJRXIUTUIXLQW-WMZOPIPTSA-N 2 2 356.470 0.855 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008947 491349321 /nfs/dbraw/zinc/34/93/21/491349321.db2.gz GZJRXIUTUIXLQW-WMZOPIPTSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008947 491349322 /nfs/dbraw/zinc/34/93/22/491349322.db2.gz GZJRXIUTUIXLQW-WMZOPIPTSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008947 491349324 /nfs/dbraw/zinc/34/93/24/491349324.db2.gz GZJRXIUTUIXLQW-WMZOPIPTSA-N 2 2 356.470 0.855 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000513413819 490728101 /nfs/dbraw/zinc/72/81/01/490728101.db2.gz BSBZRNYDJWPRNU-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCn1cc[nH+]c1 ZINC000513427880 490728439 /nfs/dbraw/zinc/72/84/39/490728439.db2.gz YFYZCQYAIAFVAO-INIZCTEOSA-N 2 2 363.462 0.103 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000527518089 490731798 /nfs/dbraw/zinc/73/17/98/490731798.db2.gz BIHPHCGNWYOBSP-UHFFFAOYSA-N 2 2 357.462 0.519 20 0 FCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000503009302 490735485 /nfs/dbraw/zinc/73/54/85/490735485.db2.gz NNGWELIYERXYPB-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000503009302 490735487 /nfs/dbraw/zinc/73/54/87/490735487.db2.gz NNGWELIYERXYPB-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000572147325 491352014 /nfs/dbraw/zinc/35/20/14/491352014.db2.gz MPLPGEIFDXPVCH-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000572147325 491352016 /nfs/dbraw/zinc/35/20/16/491352016.db2.gz MPLPGEIFDXPVCH-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000488279278 490753164 /nfs/dbraw/zinc/75/31/64/490753164.db2.gz JESUEFLYGPUIKX-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000488279278 490753167 /nfs/dbraw/zinc/75/31/67/490753167.db2.gz JESUEFLYGPUIKX-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000488279278 490753169 /nfs/dbraw/zinc/75/31/69/490753169.db2.gz JESUEFLYGPUIKX-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000488279278 490753172 /nfs/dbraw/zinc/75/31/72/490753172.db2.gz JESUEFLYGPUIKX-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000572148928 491352416 /nfs/dbraw/zinc/35/24/16/491352416.db2.gz KDOSPIMTNRKUKH-LVQVYYBASA-N 2 2 351.495 0.776 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCC(=O)N1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000557100762 491353324 /nfs/dbraw/zinc/35/33/24/491353324.db2.gz QRIFURKYDCERPB-SFHVURJKSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000538922236 490757751 /nfs/dbraw/zinc/75/77/51/490757751.db2.gz NXIQGQWGTIYAMZ-FPCVCCKLSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000538922236 490757754 /nfs/dbraw/zinc/75/77/54/490757754.db2.gz NXIQGQWGTIYAMZ-FPCVCCKLSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000538922236 490757757 /nfs/dbraw/zinc/75/77/57/490757757.db2.gz NXIQGQWGTIYAMZ-FPCVCCKLSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000538922236 490757760 /nfs/dbraw/zinc/75/77/60/490757760.db2.gz NXIQGQWGTIYAMZ-FPCVCCKLSA-N 2 2 370.563 0.822 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1CC[NH+]1CCOCC1 ZINC000539082088 490762478 /nfs/dbraw/zinc/76/24/78/490762478.db2.gz JQHYBUUKTHYCLC-GOSISDBHSA-N 3 2 364.534 0.916 20 0 FCADLP CN1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000557193206 491358883 /nfs/dbraw/zinc/35/88/83/491358883.db2.gz HADIYNDFIDLJGQ-SWLSCSKDSA-N 2 2 355.433 0.852 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CCC2 ZINC000514730162 490785316 /nfs/dbraw/zinc/78/53/16/490785316.db2.gz QUTRNECYFMAUNC-CVEARBPZSA-N 2 2 359.474 0.882 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@H+]3CCCC[C@H]3C1)CCC2 ZINC000514730162 490785318 /nfs/dbraw/zinc/78/53/18/490785318.db2.gz QUTRNECYFMAUNC-CVEARBPZSA-N 2 2 359.474 0.882 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000514862606 490794274 /nfs/dbraw/zinc/79/42/74/490794274.db2.gz AHHSFWRGIKDVMH-SIRPWMCASA-N 2 2 371.547 0.860 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000514862606 490794278 /nfs/dbraw/zinc/79/42/78/490794278.db2.gz AHHSFWRGIKDVMH-SIRPWMCASA-N 2 2 371.547 0.860 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000514876229 490794678 /nfs/dbraw/zinc/79/46/78/490794678.db2.gz UJBGFODVDRMBHM-INIZCTEOSA-N 2 2 373.501 0.887 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000514876229 490794680 /nfs/dbraw/zinc/79/46/80/490794680.db2.gz UJBGFODVDRMBHM-INIZCTEOSA-N 2 2 373.501 0.887 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC(C)(C)[NH+]1CCOCC1)n2C ZINC000539783218 490795943 /nfs/dbraw/zinc/79/59/43/490795943.db2.gz IKPPZRHSVXMKTL-UHFFFAOYSA-N 2 2 360.462 0.875 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000515016091 490803054 /nfs/dbraw/zinc/80/30/54/490803054.db2.gz PEMREQMTEZPZCB-VYDXJSESSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000515016091 490803059 /nfs/dbraw/zinc/80/30/59/490803059.db2.gz PEMREQMTEZPZCB-VYDXJSESSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000540229789 490810300 /nfs/dbraw/zinc/81/03/00/490810300.db2.gz NOOWNNUZPPUUGM-JFIYKMOQSA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000540229789 490810302 /nfs/dbraw/zinc/81/03/02/490810302.db2.gz NOOWNNUZPPUUGM-JFIYKMOQSA-N 2 2 369.506 0.434 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244916 490810917 /nfs/dbraw/zinc/81/09/17/490810917.db2.gz KQZQGVNOHIZLIF-QLFBSQMISA-N 2 2 370.494 0.421 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244916 490810920 /nfs/dbraw/zinc/81/09/20/490810920.db2.gz KQZQGVNOHIZLIF-QLFBSQMISA-N 2 2 370.494 0.421 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000528614587 490813091 /nfs/dbraw/zinc/81/30/91/490813091.db2.gz BKYIYVFUSZXTNO-UHFFFAOYSA-N 2 2 358.552 0.512 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000540327287 490817158 /nfs/dbraw/zinc/81/71/58/490817158.db2.gz AMSGZYWDMDAGEY-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000540327287 490817159 /nfs/dbraw/zinc/81/71/59/490817159.db2.gz AMSGZYWDMDAGEY-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000540327287 490817162 /nfs/dbraw/zinc/81/71/62/490817162.db2.gz AMSGZYWDMDAGEY-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000540327287 490817163 /nfs/dbraw/zinc/81/71/63/490817163.db2.gz AMSGZYWDMDAGEY-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000540341355 490818769 /nfs/dbraw/zinc/81/87/69/490818769.db2.gz GZRIYIKUIZLPGS-LJQANCHMSA-N 2 2 360.502 0.732 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000540469845 490823950 /nfs/dbraw/zinc/82/39/50/490823950.db2.gz NPIAWUSSLQHIEO-GOSISDBHSA-N 3 2 361.490 0.431 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000540469845 490823952 /nfs/dbraw/zinc/82/39/52/490823952.db2.gz NPIAWUSSLQHIEO-GOSISDBHSA-N 3 2 361.490 0.431 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619371 490833539 /nfs/dbraw/zinc/83/35/39/490833539.db2.gz ZDPIWWJFCADMCK-MJGOQNOKSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619371 490833541 /nfs/dbraw/zinc/83/35/41/490833541.db2.gz ZDPIWWJFCADMCK-MJGOQNOKSA-N 3 2 374.533 0.481 20 0 FCADLP CCc1cc(N2CCC[C@@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)ncn1 ZINC000515811113 490839209 /nfs/dbraw/zinc/83/92/09/490839209.db2.gz RHPFSHXPASCNNX-HZPDHXFCSA-N 2 2 361.494 0.292 20 0 FCADLP CCc1cc(N2CCC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)ncn1 ZINC000515811113 490839210 /nfs/dbraw/zinc/83/92/10/490839210.db2.gz RHPFSHXPASCNNX-HZPDHXFCSA-N 2 2 361.494 0.292 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000515810829 490839218 /nfs/dbraw/zinc/83/92/18/490839218.db2.gz IXYZESAXYFWWSS-MTCRFPMVSA-N 2 2 357.502 0.931 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000515858570 490841595 /nfs/dbraw/zinc/84/15/95/490841595.db2.gz VRJCUPGURDDDCY-HNNXBMFYSA-N 2 2 362.478 0.202 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000572301072 491361191 /nfs/dbraw/zinc/36/11/91/491361191.db2.gz WFWJNIGTCYMFIE-BZSNNMDCSA-N 2 2 354.539 0.612 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000572301072 491361193 /nfs/dbraw/zinc/36/11/93/491361193.db2.gz WFWJNIGTCYMFIE-BZSNNMDCSA-N 2 2 354.539 0.612 20 0 FCADLP CC(C)(CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000529283408 490847472 /nfs/dbraw/zinc/84/74/72/490847472.db2.gz QUCGBHVXFBPWRC-QGZVFWFLSA-N 2 2 368.522 0.897 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000506050767 490849258 /nfs/dbraw/zinc/84/92/58/490849258.db2.gz DXTWSEKVQUDTJZ-UHFFFAOYSA-N 2 2 365.478 0.683 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000516102420 490850993 /nfs/dbraw/zinc/85/09/93/490850993.db2.gz HKHNNJQIPAFDHV-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000516102420 490850995 /nfs/dbraw/zinc/85/09/95/490850995.db2.gz HKHNNJQIPAFDHV-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529355115 490856216 /nfs/dbraw/zinc/85/62/16/490856216.db2.gz GKUAWOYXRKZHMQ-HZPDHXFCSA-N 2 2 363.506 0.609 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529355113 490856236 /nfs/dbraw/zinc/85/62/36/490856236.db2.gz GKUAWOYXRKZHMQ-HOTGVXAUSA-N 2 2 363.506 0.609 20 0 FCADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000541258258 490856697 /nfs/dbraw/zinc/85/66/97/490856697.db2.gz PMPZCBWNGYNPAO-RDJZCZTQSA-N 2 2 362.474 0.544 20 0 FCADLP CCCSCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000557252106 491362577 /nfs/dbraw/zinc/36/25/77/491362577.db2.gz LYISQEFGMICUBP-UHFFFAOYSA-N 2 2 370.563 0.826 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)C1(C)C ZINC000516568719 490869096 /nfs/dbraw/zinc/86/90/96/490869096.db2.gz VTRDTJJRBWBMQG-IYOUNJFTSA-N 2 2 355.479 0.520 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)C1(C)C ZINC000516568719 490869098 /nfs/dbraw/zinc/86/90/98/490869098.db2.gz VTRDTJJRBWBMQG-IYOUNJFTSA-N 2 2 355.479 0.520 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557199035 491359059 /nfs/dbraw/zinc/35/90/59/491359059.db2.gz KXKZRUWNESFAJE-MRXNPFEDSA-N 3 2 364.494 0.196 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557199035 491359062 /nfs/dbraw/zinc/35/90/62/491359062.db2.gz KXKZRUWNESFAJE-MRXNPFEDSA-N 3 2 364.494 0.196 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000516977988 490888940 /nfs/dbraw/zinc/88/89/40/490888940.db2.gz QSZIVVIMMDJELX-IBGZPJMESA-N 2 2 374.529 0.896 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000516977988 490888942 /nfs/dbraw/zinc/88/89/42/490888942.db2.gz QSZIVVIMMDJELX-IBGZPJMESA-N 2 2 374.529 0.896 20 0 FCADLP C[C@H](C(=O)NCC1(NC(=O)[C@H](C)[NH+]2CC(C)C2)CCC1)[NH+]1CC(C)C1 ZINC000517390398 490906853 /nfs/dbraw/zinc/90/68/53/490906853.db2.gz BCOLEJWJLJPROE-CVEARBPZSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000530654436 490918218 /nfs/dbraw/zinc/91/82/18/490918218.db2.gz AGALISHIPPHQBT-UHFFFAOYSA-N 2 2 374.532 0.080 20 0 FCADLP Cc1cc(NC(=O)NCC[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000530712164 490920839 /nfs/dbraw/zinc/92/08/39/490920839.db2.gz BKJBMOVNUWEMIB-UHFFFAOYSA-N 2 2 350.467 0.912 20 0 FCADLP C[C@H]([C@H](C)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000530818078 490926674 /nfs/dbraw/zinc/92/66/74/490926674.db2.gz ZCXCHVHWEMTWSA-SQGPQFPESA-N 2 2 361.486 0.849 20 0 FCADLP C[C@H]([C@H](C)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000530818078 490926676 /nfs/dbraw/zinc/92/66/76/490926676.db2.gz ZCXCHVHWEMTWSA-SQGPQFPESA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1CCCC[C@H]1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000543394628 490932178 /nfs/dbraw/zinc/93/21/78/490932178.db2.gz VICVHVMQMPVYHR-SJORKVTESA-N 2 2 358.552 0.923 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000518824457 490953244 /nfs/dbraw/zinc/95/32/44/490953244.db2.gz ZAQQWYYVSNGYTI-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000518824457 490953246 /nfs/dbraw/zinc/95/32/46/490953246.db2.gz ZAQQWYYVSNGYTI-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000531391510 490955832 /nfs/dbraw/zinc/95/58/32/490955832.db2.gz LMGHPVRZUAMDLY-KRWDZBQOSA-N 2 2 368.485 0.869 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000531391510 490955833 /nfs/dbraw/zinc/95/58/33/490955833.db2.gz LMGHPVRZUAMDLY-KRWDZBQOSA-N 2 2 368.485 0.869 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978789 490957226 /nfs/dbraw/zinc/95/72/26/490957226.db2.gz CODZAGVGTULCNZ-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978789 490957230 /nfs/dbraw/zinc/95/72/30/490957230.db2.gz CODZAGVGTULCNZ-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)CC2)CC1 ZINC000544487072 490969863 /nfs/dbraw/zinc/96/98/63/490969863.db2.gz MROSLUALROGCMG-UHFFFAOYSA-N 2 2 358.490 0.872 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000565290438 491367925 /nfs/dbraw/zinc/36/79/25/491367925.db2.gz ULPQTCVFMQTNPP-XWTMOSNGSA-N 2 2 366.506 0.792 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000565290438 491367927 /nfs/dbraw/zinc/36/79/27/491367927.db2.gz ULPQTCVFMQTNPP-XWTMOSNGSA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cn2)CC1 ZINC000519603750 490978998 /nfs/dbraw/zinc/97/89/98/490978998.db2.gz IMPDNGJDMNPWKZ-MSOLQXFVSA-N 3 2 360.506 0.557 20 0 FCADLP CN(C(=O)CCSc1nnnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473515 491925765 /nfs/dbraw/zinc/92/57/65/491925765.db2.gz GJQRNDBNFPQPCL-CQSZACIVSA-N 2 2 367.523 0.319 20 0 FCADLP CN(C(=O)CCSc1nnnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473515 491925766 /nfs/dbraw/zinc/92/57/66/491925766.db2.gz GJQRNDBNFPQPCL-CQSZACIVSA-N 2 2 367.523 0.319 20 0 FCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000613996791 492009193 /nfs/dbraw/zinc/00/91/93/492009193.db2.gz TYJFILULEWDLJG-HOTGVXAUSA-N 2 2 357.458 0.514 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000569487221 491163802 /nfs/dbraw/zinc/16/38/02/491163802.db2.gz KZTDVJKNVIOPFW-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000569487221 491163803 /nfs/dbraw/zinc/16/38/03/491163803.db2.gz KZTDVJKNVIOPFW-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000668348047 493335033 /nfs/dbraw/zinc/33/50/33/493335033.db2.gz LEGAGPLUGZZDQU-MSOLQXFVSA-N 2 2 374.485 0.339 20 0 FCADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ccn1 ZINC000562494598 491169594 /nfs/dbraw/zinc/16/95/94/491169594.db2.gz XVPLPJULPWSNSI-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000569692462 491182090 /nfs/dbraw/zinc/18/20/90/491182090.db2.gz AVFWLZZTOVVHDH-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP O=C1CCc2cc(OC[C@H](O)C[NH2+]CCC[NH+]3CCOCC3)ccc2N1 ZINC000562782041 491189016 /nfs/dbraw/zinc/18/90/16/491189016.db2.gz KODLLRPFDAXTBJ-MRXNPFEDSA-N 2 2 363.458 0.623 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000572405480 491368381 /nfs/dbraw/zinc/36/83/81/491368381.db2.gz PHEYOGITAYGWHP-UAGQMJEPSA-N 2 2 371.547 0.732 20 0 FCADLP COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000565417502 491375179 /nfs/dbraw/zinc/37/51/79/491375179.db2.gz ULVRAMWSPSJEOX-DAYGRLMNSA-N 2 2 365.474 0.831 20 0 FCADLP COCC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000565417502 491375180 /nfs/dbraw/zinc/37/51/80/491375180.db2.gz ULVRAMWSPSJEOX-DAYGRLMNSA-N 2 2 365.474 0.831 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000565470321 491378532 /nfs/dbraw/zinc/37/85/32/491378532.db2.gz PVVPTULTMLYFQN-CQSZACIVSA-N 2 2 353.854 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000565470321 491378536 /nfs/dbraw/zinc/37/85/36/491378536.db2.gz PVVPTULTMLYFQN-CQSZACIVSA-N 2 2 353.854 0.354 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000557553736 491382179 /nfs/dbraw/zinc/38/21/79/491382179.db2.gz CMBVQGAYYDWKFR-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000557553736 491382180 /nfs/dbraw/zinc/38/21/80/491382180.db2.gz CMBVQGAYYDWKFR-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000557583494 491385122 /nfs/dbraw/zinc/38/51/22/491385122.db2.gz UXPQSGJETFHPNX-IAGOWNOFSA-N 2 2 373.501 0.769 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc(N)[nH+]1 ZINC000557627578 491388412 /nfs/dbraw/zinc/38/84/12/491388412.db2.gz YHBURNBYEBPWPE-AWEZNQCLSA-N 2 2 361.494 1.014 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc(N)[nH+]1 ZINC000557627578 491388415 /nfs/dbraw/zinc/38/84/15/491388415.db2.gz YHBURNBYEBPWPE-AWEZNQCLSA-N 2 2 361.494 1.014 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]c(N)n1 ZINC000557627578 491388418 /nfs/dbraw/zinc/38/84/18/491388418.db2.gz YHBURNBYEBPWPE-AWEZNQCLSA-N 2 2 361.494 1.014 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]c(N)n1 ZINC000557627578 491388422 /nfs/dbraw/zinc/38/84/22/491388422.db2.gz YHBURNBYEBPWPE-AWEZNQCLSA-N 2 2 361.494 1.014 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000572740239 491390803 /nfs/dbraw/zinc/39/08/03/491390803.db2.gz MFSWPEPKVYOZIG-MRXNPFEDSA-N 2 2 362.474 0.578 20 0 FCADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000673519415 493339812 /nfs/dbraw/zinc/33/98/12/493339812.db2.gz NREWRPPBTVNCLC-GOEBONIOSA-N 2 2 352.454 0.375 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000557706426 491392790 /nfs/dbraw/zinc/39/27/90/491392790.db2.gz GJRUXGXYRQDJSP-ZOBUZTSGSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000557706426 491392792 /nfs/dbraw/zinc/39/27/92/491392792.db2.gz GJRUXGXYRQDJSP-ZOBUZTSGSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1=O ZINC000557713881 491393394 /nfs/dbraw/zinc/39/33/94/491393394.db2.gz HHEKCNNDYVDZPC-OAHLLOKOSA-N 2 2 356.430 0.675 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C[NH3+])C1 ZINC000565765501 491398003 /nfs/dbraw/zinc/39/80/03/491398003.db2.gz SREJLENGMUXOJL-GVDBMIGSSA-N 3 2 353.511 0.039 20 0 FCADLP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C[NH3+])C1 ZINC000565765501 491398006 /nfs/dbraw/zinc/39/80/06/491398006.db2.gz SREJLENGMUXOJL-GVDBMIGSSA-N 3 2 353.511 0.039 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CC[NH+](CC)CC)CC1 ZINC000572891098 491400080 /nfs/dbraw/zinc/40/00/80/491400080.db2.gz UOVQVVOYQZCSMI-UHFFFAOYSA-N 2 2 362.540 0.238 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CCN2C1=O ZINC000573023112 491407923 /nfs/dbraw/zinc/40/79/23/491407923.db2.gz YBGKWVPDDQSBMJ-IAGOWNOFSA-N 2 2 368.441 0.385 20 0 FCADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099179 491412628 /nfs/dbraw/zinc/41/26/28/491412628.db2.gz QGIBDNBGUOUDRY-KSSFIOAISA-N 2 2 373.501 0.537 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000573197555 491418476 /nfs/dbraw/zinc/41/84/76/491418476.db2.gz IBLOPENVXYCZRR-NVXWUHKLSA-N 2 2 366.531 0.710 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573322817 491425992 /nfs/dbraw/zinc/42/59/92/491425992.db2.gz DCKQEBPPYVXTCE-MAUKXSAKSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573322817 491425993 /nfs/dbraw/zinc/42/59/93/491425993.db2.gz DCKQEBPPYVXTCE-MAUKXSAKSA-N 2 2 354.495 0.188 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)(N2CCOCC2)CC1 ZINC000566286187 491432856 /nfs/dbraw/zinc/43/28/56/491432856.db2.gz HSORVYRJXWGPNV-MRXNPFEDSA-N 2 2 361.490 0.358 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC1 ZINC000558630564 491439071 /nfs/dbraw/zinc/43/90/71/491439071.db2.gz OXTFDLSKZFHOPN-MRXNPFEDSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC1 ZINC000558630564 491439073 /nfs/dbraw/zinc/43/90/73/491439073.db2.gz OXTFDLSKZFHOPN-MRXNPFEDSA-N 2 2 359.536 0.875 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000566368122 491439526 /nfs/dbraw/zinc/43/95/26/491439526.db2.gz RPJPKXAXUVRBHR-HZPDHXFCSA-N 2 2 373.432 0.872 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000566406407 491441796 /nfs/dbraw/zinc/44/17/96/491441796.db2.gz NXLPEZNUBFNRRD-IRXDYDNUSA-N 2 2 372.425 0.202 20 0 FCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000566424252 491442813 /nfs/dbraw/zinc/44/28/13/491442813.db2.gz VXNKIWWMRQZSNL-ZWKOTPCHSA-N 2 2 361.486 0.884 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566441873 491443625 /nfs/dbraw/zinc/44/36/25/491443625.db2.gz LHRSTZMNJGLGMW-RBUKOAKNSA-N 2 2 361.486 0.660 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566441873 491443626 /nfs/dbraw/zinc/44/36/26/491443626.db2.gz LHRSTZMNJGLGMW-RBUKOAKNSA-N 2 2 361.486 0.660 20 0 FCADLP CSC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000566518887 491450828 /nfs/dbraw/zinc/45/08/28/491450828.db2.gz CQFRZRWEKQHAKF-CYBMUJFWSA-N 2 2 356.536 0.529 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000566559825 491453231 /nfs/dbraw/zinc/45/32/31/491453231.db2.gz ZFCOTPYTWQCNCA-BRWVUGGUSA-N 2 2 366.506 0.286 20 0 FCADLP O=C(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566664760 491458867 /nfs/dbraw/zinc/45/88/67/491458867.db2.gz BRSHDXCXCXBLJQ-NVXWUHKLSA-N 2 2 358.442 0.758 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000573904451 491462050 /nfs/dbraw/zinc/46/20/50/491462050.db2.gz CXZRTYXAUIIKOD-ROUUACIJSA-N 2 2 361.490 0.263 20 0 FCADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000566732312 491463239 /nfs/dbraw/zinc/46/32/39/491463239.db2.gz XNUYIMYCINZIAO-IRXDYDNUSA-N 2 2 359.536 0.793 20 0 FCADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000566732523 491463381 /nfs/dbraw/zinc/46/33/81/491463381.db2.gz ATBXAVQLZLQCJG-IAGOWNOFSA-N 2 2 365.474 0.438 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000559377518 491468548 /nfs/dbraw/zinc/46/85/48/491468548.db2.gz GHADULKRISDKAQ-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000559377518 491468549 /nfs/dbraw/zinc/46/85/49/491468549.db2.gz GHADULKRISDKAQ-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382287 491469032 /nfs/dbraw/zinc/46/90/32/491469032.db2.gz UVARRPVGSGAPKO-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382287 491469035 /nfs/dbraw/zinc/46/90/35/491469035.db2.gz UVARRPVGSGAPKO-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000559436712 491472458 /nfs/dbraw/zinc/47/24/58/491472458.db2.gz JLRIVCFXNSQVNC-UHFFFAOYSA-N 2 2 371.441 0.148 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559507114 491478075 /nfs/dbraw/zinc/47/80/75/491478075.db2.gz JOLHRZWFAIYIDL-IYBDPMFKSA-N 2 2 370.538 0.789 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559507114 491478077 /nfs/dbraw/zinc/47/80/77/491478077.db2.gz JOLHRZWFAIYIDL-IYBDPMFKSA-N 2 2 370.538 0.789 20 0 FCADLP C[C@@]1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCC[NH2+]C1 ZINC000574178932 491479264 /nfs/dbraw/zinc/47/92/64/491479264.db2.gz MTQVIYCWSJNRSH-LJQANCHMSA-N 2 2 365.522 0.620 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000559529411 491479285 /nfs/dbraw/zinc/47/92/85/491479285.db2.gz XWHDXXLGWGAMPI-INIZCTEOSA-N 2 2 355.442 0.836 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000559529411 491479287 /nfs/dbraw/zinc/47/92/87/491479287.db2.gz XWHDXXLGWGAMPI-INIZCTEOSA-N 2 2 355.442 0.836 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549646 491480319 /nfs/dbraw/zinc/48/03/19/491480319.db2.gz HQDKODYZVWACBF-INMHGKMJSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549646 491480320 /nfs/dbraw/zinc/48/03/20/491480320.db2.gz HQDKODYZVWACBF-INMHGKMJSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000559553004 491480861 /nfs/dbraw/zinc/48/08/61/491480861.db2.gz OKPUFOHBUGFMKA-QGZVFWFLSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559551930 491480901 /nfs/dbraw/zinc/48/09/01/491480901.db2.gz BBVUGZZVWZHQAO-KRWDZBQOSA-N 2 2 368.522 0.448 20 0 FCADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000567096977 491485319 /nfs/dbraw/zinc/48/53/19/491485319.db2.gz HCZDRXHLSFKTJB-GRYWWWGRSA-N 2 2 350.442 0.192 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339765 491490452 /nfs/dbraw/zinc/49/04/52/491490452.db2.gz MZKUTTMWLPRHCM-ZBFHGGJFSA-N 2 2 362.499 0.529 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339765 491490454 /nfs/dbraw/zinc/49/04/54/491490454.db2.gz MZKUTTMWLPRHCM-ZBFHGGJFSA-N 2 2 362.499 0.529 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000567267116 491495754 /nfs/dbraw/zinc/49/57/54/491495754.db2.gz SWBPILPDTUYAIQ-QWHCGFSZSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000567267116 491495755 /nfs/dbraw/zinc/49/57/55/491495755.db2.gz SWBPILPDTUYAIQ-QWHCGFSZSA-N 2 2 350.850 0.794 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000574667911 491512125 /nfs/dbraw/zinc/51/21/25/491512125.db2.gz VLIQFFXGLYNGMZ-HZPDHXFCSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000574667909 491512188 /nfs/dbraw/zinc/51/21/88/491512188.db2.gz VLIQFFXGLYNGMZ-CVEARBPZSA-N 2 2 351.495 0.324 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000567583637 491515254 /nfs/dbraw/zinc/51/52/54/491515254.db2.gz AQMKZUNAPZLEJL-UHFFFAOYSA-N 2 2 372.473 0.779 20 0 FCADLP C[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000574754403 491517967 /nfs/dbraw/zinc/51/79/67/491517967.db2.gz BEVHILPUQRLTSX-QAPCUYQASA-N 2 2 364.465 0.912 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813242 491521961 /nfs/dbraw/zinc/52/19/61/491521961.db2.gz VOYCTTIDOKDWNS-GJZGRUSLSA-N 2 2 362.499 0.574 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813242 491521962 /nfs/dbraw/zinc/52/19/62/491521962.db2.gz VOYCTTIDOKDWNS-GJZGRUSLSA-N 2 2 362.499 0.574 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736091 491526461 /nfs/dbraw/zinc/52/64/61/491526461.db2.gz HHXGZXSFGHKSFV-CHWSQXEVSA-N 2 2 364.412 0.859 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736091 491526462 /nfs/dbraw/zinc/52/64/62/491526462.db2.gz HHXGZXSFGHKSFV-CHWSQXEVSA-N 2 2 364.412 0.859 20 0 FCADLP Cc1ccc([C@H](CNC(=O)c2cn(CCC[NH3+])nn2)[NH+]2CCOCC2)cc1 ZINC000567786799 491530022 /nfs/dbraw/zinc/53/00/22/491530022.db2.gz ICVYYSXOPPXJCT-SFHVURJKSA-N 2 2 372.473 0.739 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000560309070 491530533 /nfs/dbraw/zinc/53/05/33/491530533.db2.gz RVVYNWXIEXZPRS-LSDHHAIUSA-N 2 2 351.451 0.005 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889608 491538690 /nfs/dbraw/zinc/53/86/90/491538690.db2.gz CGRGHUXZSCJNCC-DLBZAZTESA-N 2 2 356.470 0.736 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889608 491538693 /nfs/dbraw/zinc/53/86/93/491538693.db2.gz CGRGHUXZSCJNCC-DLBZAZTESA-N 2 2 356.470 0.736 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000575163836 491543127 /nfs/dbraw/zinc/54/31/27/491543127.db2.gz YSVQTFYSGPSXML-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000575163836 491543129 /nfs/dbraw/zinc/54/31/29/491543129.db2.gz YSVQTFYSGPSXML-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000575308730 491547845 /nfs/dbraw/zinc/54/78/45/491547845.db2.gz GBOUYTDHWDUEPD-OAHLLOKOSA-N 2 2 368.503 0.073 20 0 FCADLP Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000575308730 491547847 /nfs/dbraw/zinc/54/78/47/491547847.db2.gz GBOUYTDHWDUEPD-OAHLLOKOSA-N 2 2 368.503 0.073 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000575331076 491549453 /nfs/dbraw/zinc/54/94/53/491549453.db2.gz KHGQJKKTAHCVOK-DOTOQJQBSA-N 2 2 360.458 0.335 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000575331076 491549455 /nfs/dbraw/zinc/54/94/55/491549455.db2.gz KHGQJKKTAHCVOK-DOTOQJQBSA-N 2 2 360.458 0.335 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000568051477 491550452 /nfs/dbraw/zinc/55/04/52/491550452.db2.gz NIBQLZRUXRFGDI-SJORKVTESA-N 2 2 364.515 0.455 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4OCC[NH2+][C@@H]4C3)cc2)CC1 ZINC000568094304 491553032 /nfs/dbraw/zinc/55/30/32/491553032.db2.gz BRPVWZXMCWMRJV-RTBURBONSA-N 2 2 358.486 0.637 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560733079 491554313 /nfs/dbraw/zinc/55/43/13/491554313.db2.gz NWEHWHXFJBVGFH-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560733079 491554315 /nfs/dbraw/zinc/55/43/15/491554315.db2.gz NWEHWHXFJBVGFH-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000560778787 491557230 /nfs/dbraw/zinc/55/72/30/491557230.db2.gz XTEAFAMQDSGUQU-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000560778787 491557233 /nfs/dbraw/zinc/55/72/33/491557233.db2.gz XTEAFAMQDSGUQU-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP COCC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000575780760 491560639 /nfs/dbraw/zinc/56/06/39/491560639.db2.gz QSVORJOLEQGUPS-MRXNPFEDSA-N 2 2 354.495 0.509 20 0 FCADLP COCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560876963 491561532 /nfs/dbraw/zinc/56/15/32/491561532.db2.gz ZZGBNNFCWCBBIC-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000568267343 491564645 /nfs/dbraw/zinc/56/46/45/491564645.db2.gz FGCQWKBVUDCJJY-FUHWJXTLSA-N 2 2 374.485 0.384 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000568267343 491564646 /nfs/dbraw/zinc/56/46/46/491564646.db2.gz FGCQWKBVUDCJJY-FUHWJXTLSA-N 2 2 374.485 0.384 20 0 FCADLP CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000560950987 491566656 /nfs/dbraw/zinc/56/66/56/491566656.db2.gz DHQVCIQBEVXKIT-WBVHZDCISA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560950987 491566657 /nfs/dbraw/zinc/56/66/57/491566657.db2.gz DHQVCIQBEVXKIT-WBVHZDCISA-N 2 2 368.522 0.402 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000568302665 491568355 /nfs/dbraw/zinc/56/83/55/491568355.db2.gz LVVJOMMBPKSTCH-HNNXBMFYSA-N 2 2 365.478 0.270 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000568302665 491568356 /nfs/dbraw/zinc/56/83/56/491568356.db2.gz LVVJOMMBPKSTCH-HNNXBMFYSA-N 2 2 365.478 0.270 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000561039203 491571530 /nfs/dbraw/zinc/57/15/30/491571530.db2.gz XVUXPINFFKUJCT-GFCCVEGCSA-N 2 2 373.454 0.183 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000561039203 491571531 /nfs/dbraw/zinc/57/15/31/491571531.db2.gz XVUXPINFFKUJCT-GFCCVEGCSA-N 2 2 373.454 0.183 20 0 FCADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C1CC1)[NH+]1CC(C)C1 ZINC000561215466 491584300 /nfs/dbraw/zinc/58/43/00/491584300.db2.gz MZDBQQNQPLKQDS-HLLBOEOZSA-N 2 2 350.507 0.678 20 0 FCADLP COc1cc(OC)cc(OCCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000584400202 491586200 /nfs/dbraw/zinc/58/62/00/491586200.db2.gz JEYPXOXWHIJVFA-AWEZNQCLSA-N 2 2 366.462 0.757 20 0 FCADLP COc1cc(OC)cc(OCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000584400202 491586204 /nfs/dbraw/zinc/58/62/04/491586204.db2.gz JEYPXOXWHIJVFA-AWEZNQCLSA-N 2 2 366.462 0.757 20 0 FCADLP C[C@]1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000561243452 491588947 /nfs/dbraw/zinc/58/89/47/491588947.db2.gz WGOVYXWYPVORNO-MDZRGWNJSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)Nc1nc(N2CCC(CCC[NH+](C)C)CC2)nc(NCCO)[nH+]1 ZINC000561249358 491589663 /nfs/dbraw/zinc/58/96/63/491589663.db2.gz BTLJIAUSHZWQKP-UHFFFAOYSA-N 2 2 365.526 0.498 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000561249358 491589668 /nfs/dbraw/zinc/58/96/68/491589668.db2.gz BTLJIAUSHZWQKP-UHFFFAOYSA-N 2 2 365.526 0.498 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CCC(CCC[NH+](C)C)CC2)[nH+]1 ZINC000561249358 491589672 /nfs/dbraw/zinc/58/96/72/491589672.db2.gz BTLJIAUSHZWQKP-UHFFFAOYSA-N 2 2 365.526 0.498 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121781 491591955 /nfs/dbraw/zinc/59/19/55/491591955.db2.gz IYKAJZURLRCVCU-RBUKOAKNSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121781 491591962 /nfs/dbraw/zinc/59/19/62/491591962.db2.gz IYKAJZURLRCVCU-RBUKOAKNSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121781 491591965 /nfs/dbraw/zinc/59/19/65/491591965.db2.gz IYKAJZURLRCVCU-RBUKOAKNSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121781 491591968 /nfs/dbraw/zinc/59/19/68/491591968.db2.gz IYKAJZURLRCVCU-RBUKOAKNSA-N 2 2 354.466 0.992 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000561273155 491592352 /nfs/dbraw/zinc/59/23/52/491592352.db2.gz AGRCUUKIVYPNQC-KBPBESRZSA-N 2 2 361.471 0.795 20 0 FCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000568635577 491595494 /nfs/dbraw/zinc/59/54/94/491595494.db2.gz UJIZYTVGUVIEIF-QGZVFWFLSA-N 2 2 356.470 0.514 20 0 FCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000568635577 491595496 /nfs/dbraw/zinc/59/54/96/491595496.db2.gz UJIZYTVGUVIEIF-QGZVFWFLSA-N 2 2 356.470 0.514 20 0 FCADLP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568635577 491595498 /nfs/dbraw/zinc/59/54/98/491595498.db2.gz UJIZYTVGUVIEIF-QGZVFWFLSA-N 2 2 356.470 0.514 20 0 FCADLP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000568635577 491595499 /nfs/dbraw/zinc/59/54/99/491595499.db2.gz UJIZYTVGUVIEIF-QGZVFWFLSA-N 2 2 356.470 0.514 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@H](C)C1)[NH+]1CC(C)C1 ZINC000568646473 491596333 /nfs/dbraw/zinc/59/63/33/491596333.db2.gz GDUYHAXBBDRLMH-GJWQZFMSSA-N 2 2 364.534 0.974 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473434 493354544 /nfs/dbraw/zinc/35/45/44/493354544.db2.gz HJOOIUBZJJFEDX-QZTJIDSGSA-N 2 2 366.506 0.300 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473434 493354547 /nfs/dbraw/zinc/35/45/47/493354547.db2.gz HJOOIUBZJJFEDX-QZTJIDSGSA-N 2 2 366.506 0.300 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@H]3CC[N@@H+](C)C[C@H]31)CCC2 ZINC000576308065 491603984 /nfs/dbraw/zinc/60/39/84/491603984.db2.gz COFINUAAKNJHNP-OWCLPIDISA-N 2 2 359.474 0.738 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@H]3CC[N@H+](C)C[C@H]31)CCC2 ZINC000576308065 491603986 /nfs/dbraw/zinc/60/39/86/491603986.db2.gz COFINUAAKNJHNP-OWCLPIDISA-N 2 2 359.474 0.738 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000576331664 491605863 /nfs/dbraw/zinc/60/58/63/491605863.db2.gz YPYPVGOQOWKCJZ-YLFCFFPRSA-N 2 2 366.506 0.332 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000576367897 491608670 /nfs/dbraw/zinc/60/86/70/491608670.db2.gz VBJAMRWJJQXEDN-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000576367897 491608672 /nfs/dbraw/zinc/60/86/72/491608672.db2.gz VBJAMRWJJQXEDN-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000568777378 491609060 /nfs/dbraw/zinc/60/90/60/491609060.db2.gz KOSNFJYECZLKLH-ABHNRTSZSA-N 2 2 354.539 0.612 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000568777378 491609063 /nfs/dbraw/zinc/60/90/63/491609063.db2.gz KOSNFJYECZLKLH-ABHNRTSZSA-N 2 2 354.539 0.612 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000576397602 491611346 /nfs/dbraw/zinc/61/13/46/491611346.db2.gz WPCQVCXZVDQKNE-RTBURBONSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000576397602 491611348 /nfs/dbraw/zinc/61/13/48/491611348.db2.gz WPCQVCXZVDQKNE-RTBURBONSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000576397601 491611631 /nfs/dbraw/zinc/61/16/31/491611631.db2.gz WPCQVCXZVDQKNE-RBUKOAKNSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000576397601 491611633 /nfs/dbraw/zinc/61/16/33/491611633.db2.gz WPCQVCXZVDQKNE-RBUKOAKNSA-N 2 2 370.497 0.931 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000561536466 491614882 /nfs/dbraw/zinc/61/48/82/491614882.db2.gz HAZCYWMJIXEOLI-LSDHHAIUSA-N 2 2 362.478 0.758 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000561536466 491614883 /nfs/dbraw/zinc/61/48/83/491614883.db2.gz HAZCYWMJIXEOLI-LSDHHAIUSA-N 2 2 362.478 0.758 20 0 FCADLP O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000577382363 491617286 /nfs/dbraw/zinc/61/72/86/491617286.db2.gz PGRTUPLPYBZBON-MRXNPFEDSA-N 2 2 359.474 0.866 20 0 FCADLP CN1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000576492632 491619180 /nfs/dbraw/zinc/61/91/80/491619180.db2.gz OWUVQZWTSRYKJE-QGZVFWFLSA-N 2 2 356.474 0.910 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568976754 491623827 /nfs/dbraw/zinc/62/38/27/491623827.db2.gz GMGQIDLPMBSCLC-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568976754 491623830 /nfs/dbraw/zinc/62/38/30/491623830.db2.gz GMGQIDLPMBSCLC-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000577476205 491625050 /nfs/dbraw/zinc/62/50/50/491625050.db2.gz YNRAJFHQPCNUQX-XHSDSOJGSA-N 2 2 352.479 0.086 20 0 FCADLP Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2=O)cc1 ZINC000576611523 491629255 /nfs/dbraw/zinc/62/92/55/491629255.db2.gz GFTMCARCRIAQCR-SJORKVTESA-N 2 2 359.474 0.380 20 0 FCADLP Cc1ccc(CN2CC[C@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2=O)cc1 ZINC000576611523 491629256 /nfs/dbraw/zinc/62/92/56/491629256.db2.gz GFTMCARCRIAQCR-SJORKVTESA-N 2 2 359.474 0.380 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)C1C[NH2+]C1 ZINC000576634251 491631930 /nfs/dbraw/zinc/63/19/30/491631930.db2.gz DNXMBGNZMRNUEU-CQSZACIVSA-N 2 2 362.449 0.555 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000577591252 491634377 /nfs/dbraw/zinc/63/43/77/491634377.db2.gz XKKFAIATFIMJTC-XHSDSOJGSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000577591252 491634379 /nfs/dbraw/zinc/63/43/79/491634379.db2.gz XKKFAIATFIMJTC-XHSDSOJGSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000577606417 491635570 /nfs/dbraw/zinc/63/55/70/491635570.db2.gz HZAGAXXLMBPKGS-HOCLYGCPSA-N 2 2 351.495 0.452 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000577632662 491638237 /nfs/dbraw/zinc/63/82/37/491638237.db2.gz XUWCUVZGRHYCBS-HOTGVXAUSA-N 2 2 359.474 0.754 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000577634975 491638422 /nfs/dbraw/zinc/63/84/22/491638422.db2.gz KKJFDPFARVYDBM-KBPBESRZSA-N 2 2 353.442 0.204 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000577658347 491640869 /nfs/dbraw/zinc/64/08/69/491640869.db2.gz GKZUBRFKENGSOD-INIZCTEOSA-N 2 2 359.474 0.575 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000577724426 491645605 /nfs/dbraw/zinc/64/56/05/491645605.db2.gz RHLKLJSMRIVYKP-QZTJIDSGSA-N 2 2 362.474 0.738 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)C[C@@H](C)O1 ZINC000577742594 491648071 /nfs/dbraw/zinc/64/80/71/491648071.db2.gz ZSPZLLHPLCDHBF-HBPKQKSZSA-N 2 2 352.479 0.700 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000576880579 491653827 /nfs/dbraw/zinc/65/38/27/491653827.db2.gz RFTAWQXUYOAOTJ-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000562156074 491655882 /nfs/dbraw/zinc/65/58/82/491655882.db2.gz HLIQNAZXYBMYFZ-KRWDZBQOSA-N 2 2 353.426 0.795 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000562156074 491655883 /nfs/dbraw/zinc/65/58/83/491655883.db2.gz HLIQNAZXYBMYFZ-KRWDZBQOSA-N 2 2 353.426 0.795 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000577841489 491656309 /nfs/dbraw/zinc/65/63/09/491656309.db2.gz RAFCBNNYBRKSAT-OAHLLOKOSA-N 2 2 356.488 0.920 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000577858360 491657998 /nfs/dbraw/zinc/65/79/98/491657998.db2.gz OCCIQLOGVASBDA-CYBMUJFWSA-N 2 2 354.495 0.249 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000569385148 491658014 /nfs/dbraw/zinc/65/80/14/491658014.db2.gz FIXOHEWDGXOINU-UHFFFAOYSA-N 2 2 359.474 0.621 20 0 FCADLP CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)C1=O ZINC000577945972 491664819 /nfs/dbraw/zinc/66/48/19/491664819.db2.gz DATVLKYWYZTINZ-LJQANCHMSA-N 2 2 358.442 0.645 20 0 FCADLP CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)C1=O ZINC000577945972 491664822 /nfs/dbraw/zinc/66/48/22/491664822.db2.gz DATVLKYWYZTINZ-LJQANCHMSA-N 2 2 358.442 0.645 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000578041509 491668601 /nfs/dbraw/zinc/66/86/01/491668601.db2.gz MNTXOGSVJZZCBK-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578191718 491671914 /nfs/dbraw/zinc/67/19/14/491671914.db2.gz DUACXMASUDZJOC-OKILXGFUSA-N 2 2 351.472 0.313 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@@H]1CCCn3cc[nH+]c31)CC[NH2+]CC2 ZINC000578498596 491678464 /nfs/dbraw/zinc/67/84/64/491678464.db2.gz AJPZEROBBGIHHQ-GJZGRUSLSA-N 2 2 359.474 0.867 20 0 FCADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC000578625019 491681083 /nfs/dbraw/zinc/68/10/83/491681083.db2.gz IQANZJBBMWGAPQ-IHRRRGAJSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC000578625019 491681084 /nfs/dbraw/zinc/68/10/84/491681084.db2.gz IQANZJBBMWGAPQ-IHRRRGAJSA-N 2 2 356.467 0.948 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000578649184 491681613 /nfs/dbraw/zinc/68/16/13/491681613.db2.gz GXEGOZPWEYMBOX-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000578649184 491681614 /nfs/dbraw/zinc/68/16/14/491681614.db2.gz GXEGOZPWEYMBOX-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000578655554 491681790 /nfs/dbraw/zinc/68/17/90/491681790.db2.gz KUMXFHZHBNWHGS-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000578675574 491682139 /nfs/dbraw/zinc/68/21/39/491682139.db2.gz IMHTVJIMNKXXAV-JKSUJKDBSA-N 2 2 356.511 0.306 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@H](C[NH3+])C1 ZINC000578744248 491683452 /nfs/dbraw/zinc/68/34/52/491683452.db2.gz WZXSAMMAVOZADQ-WCVJEAGWSA-N 2 2 364.494 0.665 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@H](C[NH3+])C1 ZINC000578744248 491683453 /nfs/dbraw/zinc/68/34/53/491683453.db2.gz WZXSAMMAVOZADQ-WCVJEAGWSA-N 2 2 364.494 0.665 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763314 491683800 /nfs/dbraw/zinc/68/38/00/491683800.db2.gz TWZGQTXFVIAVRS-QZTJIDSGSA-N 2 2 361.486 0.911 20 0 FCADLP Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000578865111 491686073 /nfs/dbraw/zinc/68/60/73/491686073.db2.gz GMTYDMALZBPCAJ-OAHLLOKOSA-N 2 2 368.503 0.073 20 0 FCADLP Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000578865111 491686074 /nfs/dbraw/zinc/68/60/74/491686074.db2.gz GMTYDMALZBPCAJ-OAHLLOKOSA-N 2 2 368.503 0.073 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000578908148 491687091 /nfs/dbraw/zinc/68/70/91/491687091.db2.gz VRLPYXBNSCJXHG-SFHVURJKSA-N 2 2 354.454 0.953 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000578931291 491687228 /nfs/dbraw/zinc/68/72/28/491687228.db2.gz YRIWJXQHZNJVNI-OAHLLOKOSA-N 2 2 361.490 0.974 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O ZINC000579026244 491689597 /nfs/dbraw/zinc/68/95/97/491689597.db2.gz UEHNANHHMJPESL-BRWVUGGUSA-N 2 2 374.510 0.547 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000579110570 491691130 /nfs/dbraw/zinc/69/11/30/491691130.db2.gz BPRJSEWBTGDIRD-JSGCOSHPSA-N 2 2 367.471 0.685 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000579110570 491691131 /nfs/dbraw/zinc/69/11/31/491691131.db2.gz BPRJSEWBTGDIRD-JSGCOSHPSA-N 2 2 367.471 0.685 20 0 FCADLP C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000579235340 491693726 /nfs/dbraw/zinc/69/37/26/491693726.db2.gz GVVARRZXKZZNMY-CRAIPNDOSA-N 2 2 363.481 0.438 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000579284976 491694779 /nfs/dbraw/zinc/69/47/79/491694779.db2.gz QTRHLJSMSKBJSH-INIZCTEOSA-N 2 2 373.501 0.887 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434162 491697828 /nfs/dbraw/zinc/69/78/28/491697828.db2.gz AYJGUMNSAIVTJE-HOTGVXAUSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434162 491697829 /nfs/dbraw/zinc/69/78/29/491697829.db2.gz AYJGUMNSAIVTJE-HOTGVXAUSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434162 491697830 /nfs/dbraw/zinc/69/78/30/491697830.db2.gz AYJGUMNSAIVTJE-HOTGVXAUSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434162 491697831 /nfs/dbraw/zinc/69/78/31/491697831.db2.gz AYJGUMNSAIVTJE-HOTGVXAUSA-N 2 2 350.463 0.010 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000579462038 491698312 /nfs/dbraw/zinc/69/83/12/491698312.db2.gz YLFXWEONBKJEJX-XLAORIBOSA-N 2 2 356.470 0.697 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000579462038 491698313 /nfs/dbraw/zinc/69/83/13/491698313.db2.gz YLFXWEONBKJEJX-XLAORIBOSA-N 2 2 356.470 0.697 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000579693490 491702985 /nfs/dbraw/zinc/70/29/85/491702985.db2.gz NHWCZIHBHTZBKR-HNNXBMFYSA-N 2 2 362.478 0.045 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H]1n1cccn1 ZINC000579704940 491703282 /nfs/dbraw/zinc/70/32/82/491703282.db2.gz ZTMBVCMHHJYODF-MULDDASSSA-N 2 2 352.479 0.661 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H]1n1cccn1 ZINC000579704940 491703283 /nfs/dbraw/zinc/70/32/83/491703283.db2.gz ZTMBVCMHHJYODF-MULDDASSSA-N 2 2 352.479 0.661 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)C[C@@H](C)O1 ZINC000579710401 491703617 /nfs/dbraw/zinc/70/36/17/491703617.db2.gz LGVWAGZVLSCCKA-AHCXZYCDSA-N 2 2 356.507 0.614 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000579868488 491707231 /nfs/dbraw/zinc/70/72/31/491707231.db2.gz RMZFLYWOIHGCFO-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000579877639 491707613 /nfs/dbraw/zinc/70/76/13/491707613.db2.gz RWVHNVCCAJMRKV-QGZVFWFLSA-N 2 2 351.447 0.697 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)[C@H](C[NH3+])C1 ZINC000584577932 491707966 /nfs/dbraw/zinc/70/79/66/491707966.db2.gz ACXYXLMFQHOKOF-CQSZACIVSA-N 2 2 366.429 0.922 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)[C@H](C[NH3+])C1 ZINC000584577932 491707967 /nfs/dbraw/zinc/70/79/67/491707967.db2.gz ACXYXLMFQHOKOF-CQSZACIVSA-N 2 2 366.429 0.922 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)[C@@H](C[NH3+])C1 ZINC000584577931 491708149 /nfs/dbraw/zinc/70/81/49/491708149.db2.gz ACXYXLMFQHOKOF-AWEZNQCLSA-N 2 2 366.429 0.922 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)[C@@H](C[NH3+])C1 ZINC000584577931 491708151 /nfs/dbraw/zinc/70/81/51/491708151.db2.gz ACXYXLMFQHOKOF-AWEZNQCLSA-N 2 2 366.429 0.922 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C1CC1 ZINC000584749477 491712497 /nfs/dbraw/zinc/71/24/97/491712497.db2.gz SJGYPCSPXDSURY-OAHLLOKOSA-N 2 2 373.544 0.946 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C1CC1 ZINC000584749477 491712498 /nfs/dbraw/zinc/71/24/98/491712498.db2.gz SJGYPCSPXDSURY-OAHLLOKOSA-N 2 2 373.544 0.946 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccn2)CC1 ZINC000580409920 491729978 /nfs/dbraw/zinc/72/99/78/491729978.db2.gz CVPRQBNOGHAPLZ-IYBDPMFKSA-N 2 2 372.473 0.827 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C1(n2cccn2)CC[NH2+]CC1 ZINC000580449853 491731631 /nfs/dbraw/zinc/73/16/31/491731631.db2.gz CRSGUVGTULGUEF-UHFFFAOYSA-N 2 2 370.457 0.510 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000580561463 491736139 /nfs/dbraw/zinc/73/61/39/491736139.db2.gz BSPACPVKWRGTTB-GJZGRUSLSA-N 2 2 366.485 0.133 20 0 FCADLP CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236374 491742749 /nfs/dbraw/zinc/74/27/49/491742749.db2.gz JZCUBXYYMDWIND-CABCVRRESA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236374 491742750 /nfs/dbraw/zinc/74/27/50/491742750.db2.gz JZCUBXYYMDWIND-CABCVRRESA-N 2 2 370.563 0.871 20 0 FCADLP O=C(CC[NH2+][C@@H](CO)C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000580734947 491743762 /nfs/dbraw/zinc/74/37/62/491743762.db2.gz NQJAQZOZTVESNC-KRWDZBQOSA-N 2 2 362.474 0.497 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000580824197 491747103 /nfs/dbraw/zinc/74/71/03/491747103.db2.gz VZMQUAIVIDRUGS-UHFFFAOYSA-N 2 2 370.457 0.938 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000581860965 491787866 /nfs/dbraw/zinc/78/78/66/491787866.db2.gz GFMZCYAMXCESHN-UONOGXRCSA-N 2 2 354.410 0.867 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000581860965 491787867 /nfs/dbraw/zinc/78/78/67/491787867.db2.gz GFMZCYAMXCESHN-UONOGXRCSA-N 2 2 354.410 0.867 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581895759 491789591 /nfs/dbraw/zinc/78/95/91/491789591.db2.gz OUQKIYHXITXGLY-BFQNTYOBSA-N 2 2 366.412 0.256 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581895759 491789593 /nfs/dbraw/zinc/78/95/93/491789593.db2.gz OUQKIYHXITXGLY-BFQNTYOBSA-N 2 2 366.412 0.256 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000590954170 491789833 /nfs/dbraw/zinc/78/98/33/491789833.db2.gz VYICRTNUWYUCEE-UHFFFAOYSA-N 2 2 374.533 0.936 20 0 FCADLP CCc1nsc(N2CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)CC2)n1 ZINC000581951724 491791735 /nfs/dbraw/zinc/79/17/35/491791735.db2.gz LHHRMTKVCKMGFF-CQSZACIVSA-N 2 2 357.524 0.552 20 0 FCADLP CCc1nsc(N2CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC2)n1 ZINC000581951724 491791736 /nfs/dbraw/zinc/79/17/36/491791736.db2.gz LHHRMTKVCKMGFF-CQSZACIVSA-N 2 2 357.524 0.552 20 0 FCADLP CCc1nsc(N2CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000581951724 491791737 /nfs/dbraw/zinc/79/17/37/491791737.db2.gz LHHRMTKVCKMGFF-CQSZACIVSA-N 2 2 357.524 0.552 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C ZINC000581954808 491791980 /nfs/dbraw/zinc/79/19/80/491791980.db2.gz KKZZCVCWFXFGBR-LSDHHAIUSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C ZINC000581954808 491791981 /nfs/dbraw/zinc/79/19/81/491791981.db2.gz KKZZCVCWFXFGBR-LSDHHAIUSA-N 2 2 359.430 0.195 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000581997339 491793646 /nfs/dbraw/zinc/79/36/46/491793646.db2.gz XMYGJKFZGYKBHG-MRXNPFEDSA-N 2 2 364.515 0.993 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582063039 491796509 /nfs/dbraw/zinc/79/65/09/491796509.db2.gz MITRUSSIENLXFF-UPJWGTAASA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582063039 491796510 /nfs/dbraw/zinc/79/65/10/491796510.db2.gz MITRUSSIENLXFF-UPJWGTAASA-N 2 2 352.460 0.202 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC000591553615 491808023 /nfs/dbraw/zinc/80/80/23/491808023.db2.gz KBPODMCFGXMQDB-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC000591553615 491808025 /nfs/dbraw/zinc/80/80/25/491808025.db2.gz KBPODMCFGXMQDB-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591558596 491808338 /nfs/dbraw/zinc/80/83/38/491808338.db2.gz TWIZNRQCZQOFIX-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000582485596 491814699 /nfs/dbraw/zinc/81/46/99/491814699.db2.gz UWFSUHXKIBLCFE-HNNXBMFYSA-N 2 2 367.519 0.886 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000582484656 491814726 /nfs/dbraw/zinc/81/47/26/491814726.db2.gz PCLSVGCSQQNECD-HNNXBMFYSA-N 2 2 365.430 0.238 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537736 491816673 /nfs/dbraw/zinc/81/66/73/491816673.db2.gz CMZCGFWXJPAVCF-HUUCEWRRSA-N 2 2 363.462 0.022 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537736 491816675 /nfs/dbraw/zinc/81/66/75/491816675.db2.gz CMZCGFWXJPAVCF-HUUCEWRRSA-N 2 2 363.462 0.022 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000582668991 491821846 /nfs/dbraw/zinc/82/18/46/491821846.db2.gz UHSROASNRNBLNM-MRXNPFEDSA-N 2 2 358.442 0.409 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000582668990 491822004 /nfs/dbraw/zinc/82/20/04/491822004.db2.gz UHSROASNRNBLNM-INIZCTEOSA-N 2 2 358.442 0.409 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000582784912 491826719 /nfs/dbraw/zinc/82/67/19/491826719.db2.gz WUHXMMARZMELGU-CQSZACIVSA-N 2 2 369.487 0.350 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000582954862 491833964 /nfs/dbraw/zinc/83/39/64/491833964.db2.gz ALUCVWFSMJCXAK-KRWDZBQOSA-N 2 2 373.501 0.041 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000583133192 491838627 /nfs/dbraw/zinc/83/86/27/491838627.db2.gz XQVFGEOBEIFQHP-UHFFFAOYSA-N 2 2 373.505 0.384 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185275 491839750 /nfs/dbraw/zinc/83/97/50/491839750.db2.gz SKRVBUDNPALJQU-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185275 491839751 /nfs/dbraw/zinc/83/97/51/491839751.db2.gz SKRVBUDNPALJQU-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185275 491839752 /nfs/dbraw/zinc/83/97/52/491839752.db2.gz SKRVBUDNPALJQU-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185275 491839753 /nfs/dbraw/zinc/83/97/53/491839753.db2.gz SKRVBUDNPALJQU-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)[NH+]1CC(C)C1 ZINC000583211986 491840321 /nfs/dbraw/zinc/84/03/21/491840321.db2.gz HGEWLQPYDMYNNO-CQSZACIVSA-N 2 2 359.474 0.740 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262153 491841177 /nfs/dbraw/zinc/84/11/77/491841177.db2.gz UMRHEJGNBVJCBW-OXJNMPFZSA-N 2 2 359.470 0.919 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262153 491841178 /nfs/dbraw/zinc/84/11/78/491841178.db2.gz UMRHEJGNBVJCBW-OXJNMPFZSA-N 2 2 359.470 0.919 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000583318798 491842156 /nfs/dbraw/zinc/84/21/56/491842156.db2.gz ICRAEUJDGDDYCD-INIZCTEOSA-N 2 2 361.442 0.481 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668503594 493366184 /nfs/dbraw/zinc/36/61/84/493366184.db2.gz LPLAJVMHRJQMDK-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000668503594 493366187 /nfs/dbraw/zinc/36/61/87/493366187.db2.gz LPLAJVMHRJQMDK-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529218 491846821 /nfs/dbraw/zinc/84/68/21/491846821.db2.gz CJADFXPLDFSRNL-HOTGVXAUSA-N 2 2 361.490 0.798 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529218 491846822 /nfs/dbraw/zinc/84/68/22/491846822.db2.gz CJADFXPLDFSRNL-HOTGVXAUSA-N 2 2 361.490 0.798 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000583696311 491850257 /nfs/dbraw/zinc/85/02/57/491850257.db2.gz NWXYKPZSFJNVDK-INIZCTEOSA-N 2 2 360.458 0.525 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000583696312 491850281 /nfs/dbraw/zinc/85/02/81/491850281.db2.gz NWXYKPZSFJNVDK-MRXNPFEDSA-N 2 2 360.458 0.525 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 ZINC000583748071 491851170 /nfs/dbraw/zinc/85/11/70/491851170.db2.gz POXGPRYNODJCDP-GPMSIDNRSA-N 2 2 359.474 0.886 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000583825914 491852775 /nfs/dbraw/zinc/85/27/75/491852775.db2.gz MCPWNGZAWSFYIB-KRWDZBQOSA-N 2 2 368.522 0.450 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850462 491853210 /nfs/dbraw/zinc/85/32/10/491853210.db2.gz MWTXLVWGYVKXFR-ZFWWWQNUSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850462 491853211 /nfs/dbraw/zinc/85/32/11/491853211.db2.gz MWTXLVWGYVKXFR-ZFWWWQNUSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850462 491853213 /nfs/dbraw/zinc/85/32/13/491853213.db2.gz MWTXLVWGYVKXFR-ZFWWWQNUSA-N 2 2 359.492 0.266 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000584002013 491856393 /nfs/dbraw/zinc/85/63/93/491856393.db2.gz IUOKWEOUCHVYBB-XEZPLFJOSA-N 2 2 350.438 0.931 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000584002013 491856394 /nfs/dbraw/zinc/85/63/94/491856394.db2.gz IUOKWEOUCHVYBB-XEZPLFJOSA-N 2 2 350.438 0.931 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c2)CC1 ZINC000584052251 491857496 /nfs/dbraw/zinc/85/74/96/491857496.db2.gz YJPCLUKGXVSWLT-MSOLQXFVSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584147158 491859539 /nfs/dbraw/zinc/85/95/39/491859539.db2.gz PCPWIXOQTOFGRL-OXJNMPFZSA-N 2 2 371.485 0.721 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842175 491886559 /nfs/dbraw/zinc/88/65/59/491886559.db2.gz NADGPRWQSSRTDJ-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842175 491886562 /nfs/dbraw/zinc/88/65/62/491886562.db2.gz NADGPRWQSSRTDJ-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000600842175 491886564 /nfs/dbraw/zinc/88/65/64/491886564.db2.gz NADGPRWQSSRTDJ-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+]1CCOCC1 ZINC000600842175 491886566 /nfs/dbraw/zinc/88/65/66/491886566.db2.gz NADGPRWQSSRTDJ-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP C[NH+]1CCN(CC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000600928735 491889159 /nfs/dbraw/zinc/88/91/59/491889159.db2.gz MNVHEIXBMOFOIP-MRXNPFEDSA-N 2 2 365.547 0.400 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000612020592 491891560 /nfs/dbraw/zinc/89/15/60/491891560.db2.gz XYFWCNUNSOVKCZ-UKRRQHHQSA-N 2 2 354.476 0.023 20 0 FCADLP C[NH+]1CCN(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000601037456 491894303 /nfs/dbraw/zinc/89/43/03/491894303.db2.gz FNFUUYBLPNGNNP-LJQANCHMSA-N 2 2 360.502 0.294 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000612324961 491910005 /nfs/dbraw/zinc/91/00/05/491910005.db2.gz LNRMEYXBCHPOAQ-ZWKOTPCHSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442912 491918184 /nfs/dbraw/zinc/91/81/84/491918184.db2.gz CCYYLEHNJMKVEG-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442912 491918187 /nfs/dbraw/zinc/91/81/87/491918187.db2.gz CCYYLEHNJMKVEG-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612442912 491918189 /nfs/dbraw/zinc/91/81/89/491918189.db2.gz CCYYLEHNJMKVEG-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612442912 491918192 /nfs/dbraw/zinc/91/81/92/491918192.db2.gz CCYYLEHNJMKVEG-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472261 491925358 /nfs/dbraw/zinc/92/53/58/491925358.db2.gz GDGMNBITSRTPDG-JKSUJKDBSA-N 2 2 372.535 0.037 20 0 FCADLP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472261 491925359 /nfs/dbraw/zinc/92/53/59/491925359.db2.gz GDGMNBITSRTPDG-JKSUJKDBSA-N 2 2 372.535 0.037 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000612550959 491933456 /nfs/dbraw/zinc/93/34/56/491933456.db2.gz BSSSIULXOVMACG-LJQANCHMSA-N 2 2 372.513 0.974 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000612550959 491933457 /nfs/dbraw/zinc/93/34/57/491933457.db2.gz BSSSIULXOVMACG-LJQANCHMSA-N 2 2 372.513 0.974 20 0 FCADLP C[C@@]1(NC(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]C1 ZINC000612881293 491956667 /nfs/dbraw/zinc/95/66/67/491956667.db2.gz PMTVNCIEEAHIFP-LJQANCHMSA-N 2 2 365.522 0.762 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965583 491960326 /nfs/dbraw/zinc/96/03/26/491960326.db2.gz ADOHBWAWODMBDC-RHSMWYFYSA-N 2 2 354.520 0.636 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975237 491960630 /nfs/dbraw/zinc/96/06/30/491960630.db2.gz CPTRBARWBJEXOY-HZPDHXFCSA-N 2 2 363.506 0.467 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)([NH+]2CCOCC2)C1 ZINC000612987947 491961177 /nfs/dbraw/zinc/96/11/77/491961177.db2.gz ZTXLXXNWNNAKPR-WUJZJPHMSA-N 2 2 366.506 0.698 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4n(c3=O)CCS4)C2)CC1 ZINC000602200223 491967470 /nfs/dbraw/zinc/96/74/70/491967470.db2.gz HQTXFGAGRFULIU-LBPRGKRZSA-N 2 2 363.487 0.247 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4n(c3=O)CCS4)C2)CC1 ZINC000602200223 491967471 /nfs/dbraw/zinc/96/74/71/491967471.db2.gz HQTXFGAGRFULIU-LBPRGKRZSA-N 2 2 363.487 0.247 20 0 FCADLP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595977508 491967640 /nfs/dbraw/zinc/96/76/40/491967640.db2.gz LMMCVCQHBAVWAJ-RDJZCZTQSA-N 3 2 374.533 0.960 20 0 FCADLP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595977508 491967641 /nfs/dbraw/zinc/96/76/41/491967641.db2.gz LMMCVCQHBAVWAJ-RDJZCZTQSA-N 3 2 374.533 0.960 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)CC3CCCC3)C2)CC1 ZINC000602205197 491967900 /nfs/dbraw/zinc/96/79/00/491967900.db2.gz UUNUZBBBUGTUNG-MRXNPFEDSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)CC3CCCC3)C2)CC1 ZINC000602205197 491967901 /nfs/dbraw/zinc/96/79/01/491967901.db2.gz UUNUZBBBUGTUNG-MRXNPFEDSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc(Br)cn3)C2)CC1 ZINC000602202984 491968232 /nfs/dbraw/zinc/96/82/32/491968232.db2.gz AWOVARQYKCLABX-CYBMUJFWSA-N 2 2 370.295 0.930 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc(Br)cn3)C2)CC1 ZINC000602202984 491968234 /nfs/dbraw/zinc/96/82/34/491968234.db2.gz AWOVARQYKCLABX-CYBMUJFWSA-N 2 2 370.295 0.930 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)COc4ccccc43)C2)CC1 ZINC000602204925 491968264 /nfs/dbraw/zinc/96/82/64/491968264.db2.gz ZEJBGNZWMVFARG-HNNXBMFYSA-N 2 2 372.469 0.697 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)COc4ccccc43)C2)CC1 ZINC000602204925 491968266 /nfs/dbraw/zinc/96/82/66/491968266.db2.gz ZEJBGNZWMVFARG-HNNXBMFYSA-N 2 2 372.469 0.697 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000613415680 491980997 /nfs/dbraw/zinc/98/09/97/491980997.db2.gz JVYHRLUBBLYGFC-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000613555270 491986146 /nfs/dbraw/zinc/98/61/46/491986146.db2.gz IMLDLXDQYYABOT-IAGOWNOFSA-N 2 2 362.518 0.825 20 0 FCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000613555272 491986314 /nfs/dbraw/zinc/98/63/14/491986314.db2.gz IMLDLXDQYYABOT-IRXDYDNUSA-N 2 2 362.518 0.825 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000613996793 492008876 /nfs/dbraw/zinc/00/88/76/492008876.db2.gz TYJFILULEWDLJG-HZPDHXFCSA-N 2 2 357.458 0.514 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613996136 492008912 /nfs/dbraw/zinc/00/89/12/492008912.db2.gz PXHKIFDWZQQMJR-RTBURBONSA-N 3 2 372.513 0.881 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613996136 492008914 /nfs/dbraw/zinc/00/89/14/492008914.db2.gz PXHKIFDWZQQMJR-RTBURBONSA-N 3 2 372.513 0.881 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613996139 492009008 /nfs/dbraw/zinc/00/90/08/492009008.db2.gz QBHXJZSVKBCTPX-NSISKUIASA-N 3 2 372.513 0.675 20 0 FCADLP COC(=O)[C@H]([NH3+])Cc1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000603253893 492021332 /nfs/dbraw/zinc/02/13/32/492021332.db2.gz GMVVQVXMKIWPLU-QGZVFWFLSA-N 2 2 359.430 0.201 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215720 492022846 /nfs/dbraw/zinc/02/28/46/492022846.db2.gz MJNOFHFQVRWOCN-HOCLYGCPSA-N 2 2 353.463 0.430 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215720 492022848 /nfs/dbraw/zinc/02/28/48/492022848.db2.gz MJNOFHFQVRWOCN-HOCLYGCPSA-N 2 2 353.463 0.430 20 0 FCADLP CCc1cc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ncn1 ZINC000603395125 492030691 /nfs/dbraw/zinc/03/06/91/492030691.db2.gz SPMVGYCPSBDQEO-UHFFFAOYSA-N 2 2 360.506 0.714 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603867471 492044154 /nfs/dbraw/zinc/04/41/54/492044154.db2.gz SWTNFGZLIWXNAC-RKVPGOIHSA-N 2 2 370.453 0.519 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000614747632 492052743 /nfs/dbraw/zinc/05/27/43/492052743.db2.gz ONBYMDYBTNPIGG-OAHLLOKOSA-N 2 2 361.490 0.895 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615504735 492092460 /nfs/dbraw/zinc/09/24/60/492092460.db2.gz VLMVBPWXTHXHOG-UHFFFAOYSA-N 2 2 353.488 0.656 20 0 FCADLP O=C(N1CCC[C@@H]([NH+]2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615545665 492093702 /nfs/dbraw/zinc/09/37/02/492093702.db2.gz FOANDECQMFNPHX-TZIWHRDSSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CCC[C@@H]([NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615545665 492093703 /nfs/dbraw/zinc/09/37/03/492093703.db2.gz FOANDECQMFNPHX-TZIWHRDSSA-N 2 2 373.497 0.947 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000605952587 492108003 /nfs/dbraw/zinc/10/80/03/492108003.db2.gz WETDMGNXRHMPFL-UHFFFAOYSA-N 2 2 368.570 0.339 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000605952587 492108005 /nfs/dbraw/zinc/10/80/05/492108005.db2.gz WETDMGNXRHMPFL-UHFFFAOYSA-N 2 2 368.570 0.339 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000605985840 492110180 /nfs/dbraw/zinc/11/01/80/492110180.db2.gz PHOKQZUXAOPEEQ-QZTJIDSGSA-N 2 2 367.538 0.255 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000606611801 492124816 /nfs/dbraw/zinc/12/48/16/492124816.db2.gz GKHWKRPLWHTUOW-UHFFFAOYSA-N 2 2 362.478 0.517 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000606611801 492124818 /nfs/dbraw/zinc/12/48/18/492124818.db2.gz GKHWKRPLWHTUOW-UHFFFAOYSA-N 2 2 362.478 0.517 20 0 FCADLP CCC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)S(N)(=O)=O ZINC000616381522 492128497 /nfs/dbraw/zinc/12/84/97/492128497.db2.gz TTWATJHWJSIFSM-MRXNPFEDSA-N 2 2 374.551 0.462 20 0 FCADLP CCC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)S(N)(=O)=O ZINC000616381522 492128498 /nfs/dbraw/zinc/12/84/98/492128498.db2.gz TTWATJHWJSIFSM-MRXNPFEDSA-N 2 2 374.551 0.462 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2ccccc2-n2cncn2)CN1CC[NH+]1CCOCC1 ZINC000607287480 492143692 /nfs/dbraw/zinc/14/36/92/492143692.db2.gz GHUFCRFCYWBHQX-QGZVFWFLSA-N 2 2 370.457 0.290 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1=O ZINC000617483489 492170586 /nfs/dbraw/zinc/17/05/86/492170586.db2.gz VAHNLKRKIBVRRH-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)CN1CC[NH+](C)CC1 ZINC000608694561 492187895 /nfs/dbraw/zinc/18/78/95/492187895.db2.gz QTIYNPHZZYINQF-SFHVURJKSA-N 2 2 368.570 0.197 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000608693574 492188085 /nfs/dbraw/zinc/18/80/85/492188085.db2.gz SZJDOZKPTJQVLV-LSDHHAIUSA-N 2 2 365.522 0.711 20 0 FCADLP COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000608784532 492193083 /nfs/dbraw/zinc/19/30/83/492193083.db2.gz FTKIQSDSDHPYSY-OAHLLOKOSA-N 2 2 355.479 0.631 20 0 FCADLP COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000608784532 492193085 /nfs/dbraw/zinc/19/30/85/492193085.db2.gz FTKIQSDSDHPYSY-OAHLLOKOSA-N 2 2 355.479 0.631 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250496 492239379 /nfs/dbraw/zinc/23/93/79/492239379.db2.gz VOYROQJIWKFHPS-INIZCTEOSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250496 492239380 /nfs/dbraw/zinc/23/93/80/492239380.db2.gz VOYROQJIWKFHPS-INIZCTEOSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000610908477 492269101 /nfs/dbraw/zinc/26/91/01/492269101.db2.gz VESBTJSYVYBMKK-BZSNNMDCSA-N 2 2 367.538 0.515 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000610908477 492269105 /nfs/dbraw/zinc/26/91/05/492269105.db2.gz VESBTJSYVYBMKK-BZSNNMDCSA-N 2 2 367.538 0.515 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000647510237 492301277 /nfs/dbraw/zinc/30/12/77/492301277.db2.gz AXGJLEIYEYUMQZ-ZWKOTPCHSA-N 2 2 356.470 0.541 20 0 FCADLP O=C(NC1CC1)c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000647518943 492302263 /nfs/dbraw/zinc/30/22/63/492302263.db2.gz CHBGWPVPSXSYDL-GOSISDBHSA-N 2 2 356.470 0.975 20 0 FCADLP O=C(NC1CC1)c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000647518943 492302268 /nfs/dbraw/zinc/30/22/68/492302268.db2.gz CHBGWPVPSXSYDL-GOSISDBHSA-N 2 2 356.470 0.975 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000654445344 492304225 /nfs/dbraw/zinc/30/42/25/492304225.db2.gz PHPAQAVJEJXPBK-CYBMUJFWSA-N 2 2 364.498 0.396 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000654445344 492304229 /nfs/dbraw/zinc/30/42/29/492304229.db2.gz PHPAQAVJEJXPBK-CYBMUJFWSA-N 2 2 364.498 0.396 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647568101 492315612 /nfs/dbraw/zinc/31/56/12/492315612.db2.gz GUVIGYJKZBPSRQ-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647568101 492315616 /nfs/dbraw/zinc/31/56/16/492315616.db2.gz GUVIGYJKZBPSRQ-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647568101 492315620 /nfs/dbraw/zinc/31/56/20/492315620.db2.gz GUVIGYJKZBPSRQ-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000647568101 492315624 /nfs/dbraw/zinc/31/56/24/492315624.db2.gz GUVIGYJKZBPSRQ-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCCOC)CC2)CC1 ZINC000641859024 492318969 /nfs/dbraw/zinc/31/89/69/492318969.db2.gz YFUZVXNKCYMJPG-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCc4nnnn4CC3)c2)CC1 ZINC000634193720 492324652 /nfs/dbraw/zinc/32/46/52/492324652.db2.gz GCEYZHOVTUPVOP-ZDUSSCGKSA-N 2 2 356.434 0.411 20 0 FCADLP COCCn1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)ccc1=O ZINC000634195265 492325820 /nfs/dbraw/zinc/32/58/20/492325820.db2.gz SSPPAHPYAZMVCN-UHFFFAOYSA-N 2 2 371.441 0.894 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000642015655 492328413 /nfs/dbraw/zinc/32/84/13/492328413.db2.gz FKYIIXGWSUVPPN-MRXNPFEDSA-N 2 2 358.446 0.150 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000642082145 492331701 /nfs/dbraw/zinc/33/17/01/492331701.db2.gz JQAXYOPNMOOOMK-UHFFFAOYSA-N 2 2 366.506 0.206 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000620758045 492333505 /nfs/dbraw/zinc/33/35/05/492333505.db2.gz JCUTZXSOYIPIQX-UHFFFAOYSA-N 2 2 374.485 0.551 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)c1ccccc1Cl ZINC000642104460 492335289 /nfs/dbraw/zinc/33/52/89/492335289.db2.gz XIPHGOSRWMLZDI-OAHLLOKOSA-N 2 2 352.866 0.927 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000642257067 492346503 /nfs/dbraw/zinc/34/65/03/492346503.db2.gz OMIUEZPFWGFYSZ-UKRRQHHQSA-N 2 2 364.515 0.808 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000642257067 492346505 /nfs/dbraw/zinc/34/65/05/492346505.db2.gz OMIUEZPFWGFYSZ-UKRRQHHQSA-N 2 2 364.515 0.808 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642381283 492356159 /nfs/dbraw/zinc/35/61/59/492356159.db2.gz ZTYUAGYYPDZNGS-HZPDHXFCSA-N 2 2 355.442 0.884 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000647765351 492356798 /nfs/dbraw/zinc/35/67/98/492356798.db2.gz MFXXQYWFMYCDMG-DLBZAZTESA-N 2 2 371.547 0.621 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000642394779 492357092 /nfs/dbraw/zinc/35/70/92/492357092.db2.gz XTFFFEUKOWYZJA-OWCLPIDISA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000642394779 492357096 /nfs/dbraw/zinc/35/70/96/492357096.db2.gz XTFFFEUKOWYZJA-OWCLPIDISA-N 2 2 368.522 0.447 20 0 FCADLP CN1C(=O)N[C@@]2(CC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000634643528 492357402 /nfs/dbraw/zinc/35/74/02/492357402.db2.gz DGXSMMIUXAMQPT-RTBURBONSA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643528 492357403 /nfs/dbraw/zinc/35/74/03/492357403.db2.gz DGXSMMIUXAMQPT-RTBURBONSA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643528 492357405 /nfs/dbraw/zinc/35/74/05/492357405.db2.gz DGXSMMIUXAMQPT-RTBURBONSA-N 2 2 358.442 0.250 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000654857490 492360973 /nfs/dbraw/zinc/36/09/73/492360973.db2.gz VUSQGDQYAGRDHE-UHFFFAOYSA-N 2 2 374.551 0.190 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642519116 492361126 /nfs/dbraw/zinc/36/11/26/492361126.db2.gz CFLLPOVOEVJHBK-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814330 492364846 /nfs/dbraw/zinc/36/48/46/492364846.db2.gz IXASXDIVTFDJMQ-UHFFFAOYSA-N 2 2 352.460 0.489 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814330 492364853 /nfs/dbraw/zinc/36/48/53/492364853.db2.gz IXASXDIVTFDJMQ-UHFFFAOYSA-N 2 2 352.460 0.489 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CCO1 ZINC000647877073 492375508 /nfs/dbraw/zinc/37/55/08/492375508.db2.gz HJIMOMGTNYBNNI-ZFWWWQNUSA-N 2 2 369.487 0.210 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)C3C[NH+](C4CCCCC4)C3)CCO2)CC1 ZINC000654954849 492383399 /nfs/dbraw/zinc/38/33/99/492383399.db2.gz MJOXVLQFKRUOLU-IBGZPJMESA-N 2 2 364.534 0.726 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@H]1[NH3+] ZINC000647938482 492385497 /nfs/dbraw/zinc/38/54/97/492385497.db2.gz OKHXQQUVJLYDRA-IUODEOHRSA-N 2 2 366.487 0.282 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@H]1[NH3+] ZINC000647938482 492385500 /nfs/dbraw/zinc/38/55/00/492385500.db2.gz OKHXQQUVJLYDRA-IUODEOHRSA-N 2 2 366.487 0.282 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647938455 492385642 /nfs/dbraw/zinc/38/56/42/492385642.db2.gz NMYLTMGRXZDTTE-ZOWXZIJZSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647938455 492385647 /nfs/dbraw/zinc/38/56/47/492385647.db2.gz NMYLTMGRXZDTTE-ZOWXZIJZSA-N 2 2 354.476 0.720 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000647957364 492386815 /nfs/dbraw/zinc/38/68/15/492386815.db2.gz NKPNLOYLQROGLS-QRVBRYPASA-N 2 2 368.566 0.810 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000647957364 492386818 /nfs/dbraw/zinc/38/68/18/492386818.db2.gz NKPNLOYLQROGLS-QRVBRYPASA-N 2 2 368.566 0.810 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000647957363 492387108 /nfs/dbraw/zinc/38/71/08/492387108.db2.gz NKPNLOYLQROGLS-OTWHNJEPSA-N 2 2 368.566 0.810 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000647957363 492387110 /nfs/dbraw/zinc/38/71/10/492387110.db2.gz NKPNLOYLQROGLS-OTWHNJEPSA-N 2 2 368.566 0.810 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621646489 492400442 /nfs/dbraw/zinc/40/04/42/492400442.db2.gz XDIYZNMTTHVXTH-DLBZAZTESA-N 2 2 368.522 0.452 20 0 FCADLP C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000655081087 492401070 /nfs/dbraw/zinc/40/10/70/492401070.db2.gz BWDKFJGUKWRYNZ-WDEREUQCSA-N 2 2 363.384 0.639 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC000655143246 492406817 /nfs/dbraw/zinc/40/68/17/492406817.db2.gz QYSRKWGQMRZGDT-UHFFFAOYSA-N 2 2 365.478 0.056 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621778737 492411128 /nfs/dbraw/zinc/41/11/28/492411128.db2.gz UOMRNATWRVEVJU-SPYBWZPUSA-N 2 2 360.458 0.766 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621778737 492411135 /nfs/dbraw/zinc/41/11/35/492411135.db2.gz UOMRNATWRVEVJU-SPYBWZPUSA-N 2 2 360.458 0.766 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635359489 492439403 /nfs/dbraw/zinc/43/94/03/492439403.db2.gz AEQXURMTLRSCRE-UHFFFAOYSA-N 2 2 358.490 0.591 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000622025473 492441843 /nfs/dbraw/zinc/44/18/43/492441843.db2.gz QRAJZZOKOOZBJG-MAUKXSAKSA-N 2 2 362.499 0.732 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000622025491 492442164 /nfs/dbraw/zinc/44/21/64/492442164.db2.gz QWWFKUKXYGWXPN-ZWOKBUDYSA-N 2 2 356.470 0.842 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000622025491 492442166 /nfs/dbraw/zinc/44/21/66/492442166.db2.gz QWWFKUKXYGWXPN-ZWOKBUDYSA-N 2 2 356.470 0.842 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655444510 492443081 /nfs/dbraw/zinc/44/30/81/492443081.db2.gz GBNADTXUDAYNGM-HLIPFELVSA-N 2 2 362.518 0.921 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028569 492443222 /nfs/dbraw/zinc/44/32/22/492443222.db2.gz SEGJDXXBRUKOEZ-ABAIWWIYSA-N 2 2 373.379 0.744 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379213 492444096 /nfs/dbraw/zinc/44/40/96/492444096.db2.gz NFWXASFFIHUINF-GOEBONIOSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379213 492444098 /nfs/dbraw/zinc/44/40/98/492444098.db2.gz NFWXASFFIHUINF-GOEBONIOSA-N 2 2 354.495 0.336 20 0 FCADLP CN1CCCC[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000635456212 492451529 /nfs/dbraw/zinc/45/15/29/492451529.db2.gz ARJLVUNPVQKBNG-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)c1 ZINC000643477002 492474025 /nfs/dbraw/zinc/47/40/25/492474025.db2.gz MTMFBWCQMCWCTQ-SFHVURJKSA-N 2 2 358.486 0.837 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000643479754 492476244 /nfs/dbraw/zinc/47/62/44/492476244.db2.gz VJTMXLQYOGBHAC-HZPDHXFCSA-N 2 2 364.515 0.978 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714373 492478210 /nfs/dbraw/zinc/47/82/10/492478210.db2.gz BRPNZIJTYYBDAY-WMZOPIPTSA-N 3 2 352.523 0.807 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714373 492478216 /nfs/dbraw/zinc/47/82/16/492478216.db2.gz BRPNZIJTYYBDAY-WMZOPIPTSA-N 3 2 352.523 0.807 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655714651 492478670 /nfs/dbraw/zinc/47/86/70/492478670.db2.gz BRDNSZDDGWMRFR-MOPGFXCFSA-N 3 2 352.523 0.236 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC000643513767 492486516 /nfs/dbraw/zinc/48/65/16/492486516.db2.gz LVSMFQKGBFJZOL-UONOGXRCSA-N 2 2 359.474 0.639 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC[C@H]1[NH3+] ZINC000643516511 492487343 /nfs/dbraw/zinc/48/73/43/492487343.db2.gz IJEZDEYPMWIXSH-LZLYRXPVSA-N 2 2 373.501 0.873 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000643516436 492487376 /nfs/dbraw/zinc/48/73/76/492487376.db2.gz CPZZQFWKRMILGP-JXFKEZNVSA-N 2 2 371.485 0.499 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655937888 492492383 /nfs/dbraw/zinc/49/23/83/492492383.db2.gz GWDGGPQCCUNIQV-ZDUSSCGKSA-N 2 2 373.379 0.814 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655937888 492492387 /nfs/dbraw/zinc/49/23/87/492492387.db2.gz GWDGGPQCCUNIQV-ZDUSSCGKSA-N 2 2 373.379 0.814 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643592228 492503202 /nfs/dbraw/zinc/50/32/02/492503202.db2.gz KBIGQDZMHLQJGG-SFHVURJKSA-N 2 2 374.485 0.297 20 0 FCADLP CCNC(=O)C[NH+](C)Cc1cc(C[N@@H+](C)CC(=O)NCC)ccc1F ZINC000649250496 492515008 /nfs/dbraw/zinc/51/50/08/492515008.db2.gz KOJBMIDURKOGBV-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP CCNC(=O)C[NH+](C)Cc1cc(C[N@H+](C)CC(=O)NCC)ccc1F ZINC000649250496 492515011 /nfs/dbraw/zinc/51/50/11/492515011.db2.gz KOJBMIDURKOGBV-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP CCNC(=O)C[NH+](C)Cc1ccc(F)c(C[N@H+](C)CC(=O)NCC)c1 ZINC000649250496 492515015 /nfs/dbraw/zinc/51/50/15/492515015.db2.gz KOJBMIDURKOGBV-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP CCNC(=O)C[NH+](C)Cc1ccc(F)c(C[N@@H+](C)CC(=O)NCC)c1 ZINC000649250496 492515019 /nfs/dbraw/zinc/51/50/19/492515019.db2.gz KOJBMIDURKOGBV-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000628576009 492519506 /nfs/dbraw/zinc/51/95/06/492519506.db2.gz PONSMLRRBLFBAB-VQIMIIECSA-N 2 2 351.491 0.593 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000628576009 492519509 /nfs/dbraw/zinc/51/95/09/492519509.db2.gz PONSMLRRBLFBAB-VQIMIIECSA-N 2 2 351.491 0.593 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649293758 492525554 /nfs/dbraw/zinc/52/55/54/492525554.db2.gz IHLQAANQQNSSAH-LSDHHAIUSA-N 2 2 372.460 0.776 20 0 FCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649325981 492534763 /nfs/dbraw/zinc/53/47/63/492534763.db2.gz NIBHMYCPCXJHLI-HUUCEWRRSA-N 2 2 353.488 0.816 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCc2cn3cccc(C)c3[nH+]2)nn1 ZINC000649330063 492535543 /nfs/dbraw/zinc/53/55/43/492535543.db2.gz ULPROUQGIUOYOC-GOEBONIOSA-N 2 2 369.429 0.252 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000649335780 492538057 /nfs/dbraw/zinc/53/80/57/492538057.db2.gz YNORWSYSUSDRME-QAPCUYQASA-N 2 2 362.474 0.218 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335780 492538061 /nfs/dbraw/zinc/53/80/61/492538061.db2.gz YNORWSYSUSDRME-QAPCUYQASA-N 2 2 362.474 0.218 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077633 492539352 /nfs/dbraw/zinc/53/93/52/492539352.db2.gz RZRKRNWNCSMUQS-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077633 492539354 /nfs/dbraw/zinc/53/93/54/492539354.db2.gz RZRKRNWNCSMUQS-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077633 492539357 /nfs/dbraw/zinc/53/93/57/492539357.db2.gz RZRKRNWNCSMUQS-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077633 492539359 /nfs/dbraw/zinc/53/93/59/492539359.db2.gz RZRKRNWNCSMUQS-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000636023110 492541013 /nfs/dbraw/zinc/54/10/13/492541013.db2.gz ZRTODBZWZKZVIY-UHFFFAOYSA-N 2 2 357.495 0.150 20 0 FCADLP CC1(C)C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000649410185 492550727 /nfs/dbraw/zinc/55/07/27/492550727.db2.gz XNFBCZKMICHFIT-UHFFFAOYSA-N 2 2 372.513 0.950 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000649409789 492550830 /nfs/dbraw/zinc/55/08/30/492550830.db2.gz ZHMJKOQVPHBLEJ-UHFFFAOYSA-N 2 2 360.506 0.847 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000649409789 492550831 /nfs/dbraw/zinc/55/08/31/492550831.db2.gz ZHMJKOQVPHBLEJ-UHFFFAOYSA-N 2 2 360.506 0.847 20 0 FCADLP O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000649419530 492553737 /nfs/dbraw/zinc/55/37/37/492553737.db2.gz UKDJKBMDGBKGEW-FXAWDEMLSA-N 2 2 372.513 0.819 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623425086 492554134 /nfs/dbraw/zinc/55/41/34/492554134.db2.gz QKOPTFQDDQZOMK-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP Cc1cncc(CC[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000649538204 492559779 /nfs/dbraw/zinc/55/97/79/492559779.db2.gz DQSACHZXEMBXFF-UHFFFAOYSA-N 2 2 369.473 0.776 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000649613803 492564834 /nfs/dbraw/zinc/56/48/34/492564834.db2.gz HKKFKZOXNCPBJF-KRWDZBQOSA-N 2 2 373.501 0.909 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000649613803 492564836 /nfs/dbraw/zinc/56/48/36/492564836.db2.gz HKKFKZOXNCPBJF-KRWDZBQOSA-N 2 2 373.501 0.909 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000623571096 492568616 /nfs/dbraw/zinc/56/86/16/492568616.db2.gz MHBXOCIAVAVZTF-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000623571096 492568618 /nfs/dbraw/zinc/56/86/18/492568618.db2.gz MHBXOCIAVAVZTF-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3COCC[N@@H+]3C)ccc2[nH]c1=O ZINC000636279579 492575578 /nfs/dbraw/zinc/57/55/78/492575578.db2.gz UIRXVTVQRLNNLH-AWEZNQCLSA-N 2 2 361.446 0.364 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3COCC[N@H+]3C)ccc2[nH]c1=O ZINC000636279579 492575580 /nfs/dbraw/zinc/57/55/80/492575580.db2.gz UIRXVTVQRLNNLH-AWEZNQCLSA-N 2 2 361.446 0.364 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000649761257 492581399 /nfs/dbraw/zinc/58/13/99/492581399.db2.gz QXXIWJWTHVTPSA-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000649761257 492581402 /nfs/dbraw/zinc/58/14/02/492581402.db2.gz QXXIWJWTHVTPSA-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)cs1 ZINC000629177550 492583262 /nfs/dbraw/zinc/58/32/62/492583262.db2.gz XRERBDMRKRBIQU-MRXNPFEDSA-N 2 2 352.504 0.846 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)cs1 ZINC000629177550 492583267 /nfs/dbraw/zinc/58/32/67/492583267.db2.gz XRERBDMRKRBIQU-MRXNPFEDSA-N 2 2 352.504 0.846 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656354768 492608677 /nfs/dbraw/zinc/60/86/77/492608677.db2.gz HDSIDLDTPFAXHI-BZUAXINKSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656354768 492608682 /nfs/dbraw/zinc/60/86/82/492608682.db2.gz HDSIDLDTPFAXHI-BZUAXINKSA-N 2 2 359.474 0.869 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564651 492623132 /nfs/dbraw/zinc/62/31/32/492623132.db2.gz GEXGDAKEVHCBCA-ROUUACIJSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564651 492623134 /nfs/dbraw/zinc/62/31/34/492623134.db2.gz GEXGDAKEVHCBCA-ROUUACIJSA-N 2 2 362.474 0.426 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000636576024 492627207 /nfs/dbraw/zinc/62/72/07/492627207.db2.gz RWLMZEVBQKMIBV-LBPRGKRZSA-N 2 2 361.471 0.993 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000636576024 492627211 /nfs/dbraw/zinc/62/72/11/492627211.db2.gz RWLMZEVBQKMIBV-LBPRGKRZSA-N 2 2 361.471 0.993 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578571 492627346 /nfs/dbraw/zinc/62/73/46/492627346.db2.gz LREJAXFRUYBDII-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578571 492627351 /nfs/dbraw/zinc/62/73/51/492627351.db2.gz LREJAXFRUYBDII-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636578571 492627356 /nfs/dbraw/zinc/62/73/56/492627356.db2.gz LREJAXFRUYBDII-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636578571 492627360 /nfs/dbraw/zinc/62/73/60/492627360.db2.gz LREJAXFRUYBDII-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543033 492642562 /nfs/dbraw/zinc/64/25/62/492642562.db2.gz RMKQHXSJUVIKRY-HUUCEWRRSA-N 2 2 351.495 0.369 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543033 492642566 /nfs/dbraw/zinc/64/25/66/492642566.db2.gz RMKQHXSJUVIKRY-HUUCEWRRSA-N 2 2 351.495 0.369 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccccn3)C2)nn1 ZINC000629541138 492642798 /nfs/dbraw/zinc/64/27/98/492642798.db2.gz ZWLONCPJJMDQTH-CQSZACIVSA-N 2 2 350.448 0.243 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccccn3)C2)nn1 ZINC000629541138 492642802 /nfs/dbraw/zinc/64/28/02/492642802.db2.gz ZWLONCPJJMDQTH-CQSZACIVSA-N 2 2 350.448 0.243 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700766 492643229 /nfs/dbraw/zinc/64/32/29/492643229.db2.gz ZQCYCOSOMWCEJV-QZTJIDSGSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700766 492643231 /nfs/dbraw/zinc/64/32/31/492643231.db2.gz ZQCYCOSOMWCEJV-QZTJIDSGSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656700766 492643235 /nfs/dbraw/zinc/64/32/35/492643235.db2.gz ZQCYCOSOMWCEJV-QZTJIDSGSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656700766 492643238 /nfs/dbraw/zinc/64/32/38/492643238.db2.gz ZQCYCOSOMWCEJV-QZTJIDSGSA-N 2 2 374.489 0.948 20 0 FCADLP NC(=O)C1CCN(c2ncccc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629559795 492645432 /nfs/dbraw/zinc/64/54/32/492645432.db2.gz NDPIDNYZDUEZHR-QGZVFWFLSA-N 2 2 361.490 0.330 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000629568569 492646871 /nfs/dbraw/zinc/64/68/71/492646871.db2.gz UHPMISWHFLWQNG-OLZOCXBDSA-N 2 2 364.412 0.574 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000629568569 492646873 /nfs/dbraw/zinc/64/68/73/492646873.db2.gz UHPMISWHFLWQNG-OLZOCXBDSA-N 2 2 364.412 0.574 20 0 FCADLP Cc1[nH+]cc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)n1C ZINC000656771475 492649606 /nfs/dbraw/zinc/64/96/06/492649606.db2.gz FXBYSALXHCXEQE-UHFFFAOYSA-N 2 2 364.475 0.817 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000636666715 492653802 /nfs/dbraw/zinc/65/38/02/492653802.db2.gz DDFYXIRMTPBDDN-INIZCTEOSA-N 2 2 355.442 0.735 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000636666715 492653804 /nfs/dbraw/zinc/65/38/04/492653804.db2.gz DDFYXIRMTPBDDN-INIZCTEOSA-N 2 2 355.442 0.735 20 0 FCADLP Cn1cc[nH+]c1C([N-]c1nc(N2CCOCC2)cc[nH+]1)c1[nH+]ccn1C ZINC000624508817 492654216 /nfs/dbraw/zinc/65/42/16/492654216.db2.gz ADMPBVCYHHNCAJ-UHFFFAOYSA-N 2 2 354.418 0.982 20 0 FCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000629577477 492654650 /nfs/dbraw/zinc/65/46/50/492654650.db2.gz AHYLFOQNYJHQBG-UHFFFAOYSA-N 2 2 353.814 0.161 20 0 FCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000629577477 492654655 /nfs/dbraw/zinc/65/46/55/492654655.db2.gz AHYLFOQNYJHQBG-UHFFFAOYSA-N 2 2 353.814 0.161 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000650604165 492654834 /nfs/dbraw/zinc/65/48/34/492654834.db2.gz RABMACBMZXQSCI-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(CC[NH2+]CC[N@H+]1CC[C@@H](O)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000629606377 492658701 /nfs/dbraw/zinc/65/87/01/492658701.db2.gz GSEDCVQWWRMYBW-QGZVFWFLSA-N 2 2 360.458 0.798 20 0 FCADLP O=C(CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000629606377 492658704 /nfs/dbraw/zinc/65/87/04/492658704.db2.gz GSEDCVQWWRMYBW-QGZVFWFLSA-N 2 2 360.458 0.798 20 0 FCADLP CC[C@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707609 492667501 /nfs/dbraw/zinc/66/75/01/492667501.db2.gz PNXIGJLEXCFXGZ-BEFAXECRSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707609 492667503 /nfs/dbraw/zinc/66/75/03/492667503.db2.gz PNXIGJLEXCFXGZ-BEFAXECRSA-N 2 2 366.506 0.035 20 0 FCADLP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000644230885 492675112 /nfs/dbraw/zinc/67/51/12/492675112.db2.gz IZKYETYMBYQIOY-LMMKCTJWSA-N 2 2 374.485 0.631 20 0 FCADLP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000644230885 492675114 /nfs/dbraw/zinc/67/51/14/492675114.db2.gz IZKYETYMBYQIOY-LMMKCTJWSA-N 2 2 374.485 0.631 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000644231543 492676003 /nfs/dbraw/zinc/67/60/03/492676003.db2.gz MQKPSPXJRQSMCY-ZKXLYKBJSA-N 2 2 353.507 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000644231543 492676008 /nfs/dbraw/zinc/67/60/08/492676008.db2.gz MQKPSPXJRQSMCY-ZKXLYKBJSA-N 2 2 353.507 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1CCO[C@H](CC)C1 ZINC000644231543 492676012 /nfs/dbraw/zinc/67/60/12/492676012.db2.gz MQKPSPXJRQSMCY-ZKXLYKBJSA-N 2 2 353.507 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1CCO[C@H](CC)C1 ZINC000644231543 492676015 /nfs/dbraw/zinc/67/60/15/492676015.db2.gz MQKPSPXJRQSMCY-ZKXLYKBJSA-N 2 2 353.507 0.980 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000650865632 492677514 /nfs/dbraw/zinc/67/75/14/492677514.db2.gz FEDZBOBESGHMHT-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000650865632 492677517 /nfs/dbraw/zinc/67/75/17/492677517.db2.gz FEDZBOBESGHMHT-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650865632 492677519 /nfs/dbraw/zinc/67/75/19/492677519.db2.gz FEDZBOBESGHMHT-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650865632 492677520 /nfs/dbraw/zinc/67/75/20/492677520.db2.gz FEDZBOBESGHMHT-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629800778 492679180 /nfs/dbraw/zinc/67/91/80/492679180.db2.gz AUACDCZSNZNHCF-AWEZNQCLSA-N 2 2 368.503 0.387 20 0 FCADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629802963 492680721 /nfs/dbraw/zinc/68/07/21/492680721.db2.gz XSSTWASWDVVXDL-CQSZACIVSA-N 2 2 351.451 0.390 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000629811963 492684860 /nfs/dbraw/zinc/68/48/60/492684860.db2.gz LQAIXEXVWHPURP-INIZCTEOSA-N 2 2 364.515 0.849 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000651221968 492724578 /nfs/dbraw/zinc/72/45/78/492724578.db2.gz HXULXFBMMIFPHL-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000651221968 492724579 /nfs/dbraw/zinc/72/45/79/492724579.db2.gz HXULXFBMMIFPHL-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](C)C1 ZINC000636911739 492726937 /nfs/dbraw/zinc/72/69/37/492726937.db2.gz BUTDXYBPEBPYCH-MPGHIAIKSA-N 2 2 354.495 0.242 20 0 FCADLP CC[N@@H+]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](C)C1 ZINC000636911739 492726941 /nfs/dbraw/zinc/72/69/41/492726941.db2.gz BUTDXYBPEBPYCH-MPGHIAIKSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@@H](C)C1 ZINC000636911739 492726947 /nfs/dbraw/zinc/72/69/47/492726947.db2.gz BUTDXYBPEBPYCH-MPGHIAIKSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)[C@@H](C)C1 ZINC000636911739 492726951 /nfs/dbraw/zinc/72/69/51/492726951.db2.gz BUTDXYBPEBPYCH-MPGHIAIKSA-N 2 2 354.495 0.242 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000625152237 492730932 /nfs/dbraw/zinc/73/09/32/492730932.db2.gz WGGQWPZYMSZBRV-KBMXLJTQSA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313485 492740064 /nfs/dbraw/zinc/74/00/64/492740064.db2.gz DFIOQUNFEWWIPL-DOTOQJQBSA-N 2 2 365.522 0.665 20 0 FCADLP CCN1C[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313485 492740065 /nfs/dbraw/zinc/74/00/65/492740065.db2.gz DFIOQUNFEWWIPL-DOTOQJQBSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630394602 492745297 /nfs/dbraw/zinc/74/52/97/492745297.db2.gz JAHJZBGAPAIQRR-PBHICJAKSA-N 2 2 351.451 0.187 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630394602 492745299 /nfs/dbraw/zinc/74/52/99/492745299.db2.gz JAHJZBGAPAIQRR-PBHICJAKSA-N 2 2 351.451 0.187 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000637015082 492749295 /nfs/dbraw/zinc/74/92/95/492749295.db2.gz LGPMDGCTPZGAMR-HOTGVXAUSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@@H](CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)n1cc[nH+]c1 ZINC000651460865 492762046 /nfs/dbraw/zinc/76/20/46/492762046.db2.gz ATKOEPPZGMQDEA-GJZGRUSLSA-N 2 2 356.492 0.802 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000644569744 492786180 /nfs/dbraw/zinc/78/61/80/492786180.db2.gz UDGTXWXQTOZOKZ-MOPGFXCFSA-N 2 2 363.502 0.731 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657743419 492787710 /nfs/dbraw/zinc/78/77/10/492787710.db2.gz BFKZHXLLXIWMBP-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579340 492788259 /nfs/dbraw/zinc/78/82/59/492788259.db2.gz XBIUZQXWVWIISH-ZWKOTPCHSA-N 2 2 371.485 0.916 20 0 FCADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579340 492788262 /nfs/dbraw/zinc/78/82/62/492788262.db2.gz XBIUZQXWVWIISH-ZWKOTPCHSA-N 2 2 371.485 0.916 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000637217446 492791230 /nfs/dbraw/zinc/79/12/30/492791230.db2.gz UTDWQNMLXRPWRL-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000637217446 492791234 /nfs/dbraw/zinc/79/12/34/492791234.db2.gz UTDWQNMLXRPWRL-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637217446 492791237 /nfs/dbraw/zinc/79/12/37/492791237.db2.gz UTDWQNMLXRPWRL-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637217446 492791242 /nfs/dbraw/zinc/79/12/42/492791242.db2.gz UTDWQNMLXRPWRL-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2[nH+]1 ZINC000657771539 492793527 /nfs/dbraw/zinc/79/35/27/492793527.db2.gz JWOLHKVWXBHZKP-HOTGVXAUSA-N 2 2 371.441 0.639 20 0 FCADLP O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631042572 492793539 /nfs/dbraw/zinc/79/35/39/492793539.db2.gz LYFSMGSUENVRJF-QGZVFWFLSA-N 2 2 368.499 0.922 20 0 FCADLP NS(=O)(=O)c1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000631050579 492795012 /nfs/dbraw/zinc/79/50/12/492795012.db2.gz UYEYXPDXEFLIMM-UHFFFAOYSA-N 2 2 361.895 0.924 20 0 FCADLP COCCc1ncc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000631076889 492797776 /nfs/dbraw/zinc/79/77/76/492797776.db2.gz RRLJMBSRWUGCOS-CQSZACIVSA-N 2 2 368.503 0.355 20 0 FCADLP O=C(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)N1CCOCC1 ZINC000631107956 492798854 /nfs/dbraw/zinc/79/88/54/492798854.db2.gz JDDRFENIAWTADU-UHFFFAOYSA-N 2 2 363.458 0.346 20 0 FCADLP CN1C(=O)CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000631165148 492801965 /nfs/dbraw/zinc/80/19/65/492801965.db2.gz XCKXXRMSZOSCGC-KRWDZBQOSA-N 2 2 361.442 0.635 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCc3c[nH+]c(N(C)C)n3C)cc2[nH+]1 ZINC000657844629 492801950 /nfs/dbraw/zinc/80/19/50/492801950.db2.gz XFJZFBCPTMTXOB-UHFFFAOYSA-N 2 2 355.402 0.697 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CC1 ZINC000644754468 492806038 /nfs/dbraw/zinc/80/60/38/492806038.db2.gz GYINWFAOQNILBE-INIZCTEOSA-N 2 2 371.547 0.830 20 0 FCADLP Cn1cc(N2C[C@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519039 492807482 /nfs/dbraw/zinc/80/74/82/492807482.db2.gz HYMPIQGRGRLBTF-CABCVRRESA-N 2 2 374.489 0.058 20 0 FCADLP Cn1cc(N2C[C@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519039 492807486 /nfs/dbraw/zinc/80/74/86/492807486.db2.gz HYMPIQGRGRLBTF-CABCVRRESA-N 2 2 374.489 0.058 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000637376080 492815854 /nfs/dbraw/zinc/81/58/54/492815854.db2.gz FEKJWNMJAZYCPZ-INIZCTEOSA-N 2 2 363.462 0.447 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000637376080 492815856 /nfs/dbraw/zinc/81/58/56/492815856.db2.gz FEKJWNMJAZYCPZ-INIZCTEOSA-N 2 2 363.462 0.447 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccsc1 ZINC000631719802 492840519 /nfs/dbraw/zinc/84/05/19/492840519.db2.gz ADVXWPAQAJBPLI-INIZCTEOSA-N 2 2 374.576 0.908 20 0 FCADLP C[C@@H]1CN(c2ccc(CNS(=O)(=O)CC3([NH+](C)C)CC3)c[nH+]2)CCO1 ZINC000631755451 492847143 /nfs/dbraw/zinc/84/71/43/492847143.db2.gz BVKSHLDWMNJXBO-CQSZACIVSA-N 2 2 368.503 0.820 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000631785333 492852285 /nfs/dbraw/zinc/85/22/85/492852285.db2.gz FZYOIWNBUFRHKH-OAHLLOKOSA-N 2 2 363.549 0.208 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000631786096 492853401 /nfs/dbraw/zinc/85/34/01/492853401.db2.gz RGIVVVGHLKSWMK-AWEZNQCLSA-N 2 2 351.538 0.065 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680877 492858338 /nfs/dbraw/zinc/85/83/38/492858338.db2.gz ZYUZYYOPLNJRJB-OAHLLOKOSA-N 2 2 365.503 0.501 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680877 492858342 /nfs/dbraw/zinc/85/83/42/492858342.db2.gz ZYUZYYOPLNJRJB-OAHLLOKOSA-N 2 2 365.503 0.501 20 0 FCADLP O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000631849052 492862277 /nfs/dbraw/zinc/86/22/77/492862277.db2.gz VFBDYGSEPHAPKP-ROUUACIJSA-N 2 2 356.470 0.312 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000631911287 492877699 /nfs/dbraw/zinc/87/76/99/492877699.db2.gz ASRSLLPEMNUXCG-UHFFFAOYSA-N 2 2 363.487 0.950 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000645209794 492878506 /nfs/dbraw/zinc/87/85/06/492878506.db2.gz NQTOAMPFTCVGHA-OAHLLOKOSA-N 2 2 350.488 0.651 20 0 FCADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000645225875 492880581 /nfs/dbraw/zinc/88/05/81/492880581.db2.gz RIDSPTKSBWKKDB-MRXNPFEDSA-N 2 2 361.442 0.481 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNc2nc(N)[nH+]c3c2CCCC3)CC(=O)N1C ZINC000645240011 492882255 /nfs/dbraw/zinc/88/22/55/492882255.db2.gz WQRYMKRDTZBPSG-XHDPSFHLSA-N 2 2 355.446 0.725 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+](C2CC2)C2CC2)CC1 ZINC000625839804 492892989 /nfs/dbraw/zinc/89/29/89/492892989.db2.gz IYCBGSTWZZUDQT-UHFFFAOYSA-N 2 2 355.446 0.639 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000652223520 492896438 /nfs/dbraw/zinc/89/64/38/492896438.db2.gz HJRZNTUCZRXAGK-BRWVUGGUSA-N 2 2 354.495 0.365 20 0 FCADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC(C)(CO)CO ZINC000638092551 492903493 /nfs/dbraw/zinc/90/34/93/492903493.db2.gz BRXQRFPOLUGYMO-UHFFFAOYSA-N 2 2 352.475 0.820 20 0 FCADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC(C)(CO)CO ZINC000638092551 492903496 /nfs/dbraw/zinc/90/34/96/492903496.db2.gz BRXQRFPOLUGYMO-UHFFFAOYSA-N 2 2 352.475 0.820 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638105417 492906659 /nfs/dbraw/zinc/90/66/59/492906659.db2.gz IAYOSVYBKXHVJL-VXGBXAGGSA-N 2 2 372.420 0.543 20 0 FCADLP COCC[N@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@H]1C ZINC000638105417 492906663 /nfs/dbraw/zinc/90/66/63/492906663.db2.gz IAYOSVYBKXHVJL-VXGBXAGGSA-N 2 2 372.420 0.543 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638105415 492906851 /nfs/dbraw/zinc/90/68/51/492906851.db2.gz IAYOSVYBKXHVJL-NWDGAFQWSA-N 2 2 372.420 0.543 20 0 FCADLP COCC[N@H+]1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638105415 492906855 /nfs/dbraw/zinc/90/68/55/492906855.db2.gz IAYOSVYBKXHVJL-NWDGAFQWSA-N 2 2 372.420 0.543 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315193 492909591 /nfs/dbraw/zinc/90/95/91/492909591.db2.gz NUSCNSVKUJPFQX-MRXNPFEDSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652314032 492909672 /nfs/dbraw/zinc/90/96/72/492909672.db2.gz RDLFIPAPGDEMMS-CQSZACIVSA-N 2 2 351.495 0.370 20 0 FCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000638116529 492909844 /nfs/dbraw/zinc/90/98/44/492909844.db2.gz FLZZMWBRQHKSKX-JTDSTZFVSA-N 2 2 361.490 0.475 20 0 FCADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1CC[NH3+] ZINC000652353497 492914569 /nfs/dbraw/zinc/91/45/69/492914569.db2.gz LYKOJXLNYCIHQP-IUODEOHRSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1CC[NH3+] ZINC000652353497 492914571 /nfs/dbraw/zinc/91/45/71/492914571.db2.gz LYKOJXLNYCIHQP-IUODEOHRSA-N 2 2 354.476 0.722 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000652370671 492918376 /nfs/dbraw/zinc/91/83/76/492918376.db2.gz JLDXGQGKNINHSJ-BHYGNILZSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000652370671 492918380 /nfs/dbraw/zinc/91/83/80/492918380.db2.gz JLDXGQGKNINHSJ-BHYGNILZSA-N 2 2 363.506 0.608 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638173994 492920927 /nfs/dbraw/zinc/92/09/27/492920927.db2.gz MDMMOUSVFUXMEH-HNNXBMFYSA-N 2 2 369.425 0.614 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000638185472 492922296 /nfs/dbraw/zinc/92/22/96/492922296.db2.gz WCPRKCDEPVLNJX-BZUAXINKSA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c2ccccc2O1 ZINC000632102517 492930347 /nfs/dbraw/zinc/93/03/47/492930347.db2.gz JGFXPXJKMFZFCQ-LSDHHAIUSA-N 2 2 369.487 0.476 20 0 FCADLP C[NH+](C)C[C@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c2ccccc2O1 ZINC000632102517 492930351 /nfs/dbraw/zinc/93/03/51/492930351.db2.gz JGFXPXJKMFZFCQ-LSDHHAIUSA-N 2 2 369.487 0.476 20 0 FCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@@H+]1C1CC1 ZINC000652502255 492953300 /nfs/dbraw/zinc/95/33/00/492953300.db2.gz BMGVWXDBFQUNQK-OXJNMPFZSA-N 2 2 374.533 0.699 20 0 FCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@H+]1C1CC1 ZINC000652502255 492953304 /nfs/dbraw/zinc/95/33/04/492953304.db2.gz BMGVWXDBFQUNQK-OXJNMPFZSA-N 2 2 374.533 0.699 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000638605011 492964886 /nfs/dbraw/zinc/96/48/86/492964886.db2.gz NLGHDOAPPZXUDC-CHWSQXEVSA-N 2 2 356.829 0.980 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000638619657 492966587 /nfs/dbraw/zinc/96/65/87/492966587.db2.gz VMYAQOHAMVIMLH-INIZCTEOSA-N 2 2 357.414 0.630 20 0 FCADLP C[C@@H](C(=O)N(C)CCOCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638675565 492971697 /nfs/dbraw/zinc/97/16/97/492971697.db2.gz WFTLSAQOTBNXJI-HNNXBMFYSA-N 2 2 352.454 0.770 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)CC1 ZINC000645774922 492973786 /nfs/dbraw/zinc/97/37/86/492973786.db2.gz ZGLHJKJNZBSYDL-MRXNPFEDSA-N 2 2 359.536 0.845 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)CC1 ZINC000645774922 492973790 /nfs/dbraw/zinc/97/37/90/492973790.db2.gz ZGLHJKJNZBSYDL-MRXNPFEDSA-N 2 2 359.536 0.845 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000638747987 492975099 /nfs/dbraw/zinc/97/50/99/492975099.db2.gz FTQWZWRTXRVKMZ-ZIAGYGMSSA-N 2 2 359.517 0.863 20 0 FCADLP [NH3+]CCOCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000645828583 492979236 /nfs/dbraw/zinc/97/92/36/492979236.db2.gz YBVTWSBYEGCVLA-UHFFFAOYSA-N 2 2 365.865 0.997 20 0 FCADLP [NH3+]CCOCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000645828583 492979240 /nfs/dbraw/zinc/97/92/40/492979240.db2.gz YBVTWSBYEGCVLA-UHFFFAOYSA-N 2 2 365.865 0.997 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000658615977 492981800 /nfs/dbraw/zinc/98/18/00/492981800.db2.gz AXTZTODELPSTIF-GJZGRUSLSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000658615977 492981802 /nfs/dbraw/zinc/98/18/02/492981802.db2.gz AXTZTODELPSTIF-GJZGRUSLSA-N 2 2 370.563 0.823 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658623644 492985584 /nfs/dbraw/zinc/98/55/84/492985584.db2.gz YWZHOOQNEVNXQT-INIZCTEOSA-N 2 2 364.490 0.006 20 0 FCADLP Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984931 492990426 /nfs/dbraw/zinc/99/04/26/492990426.db2.gz VRXJRHDLJDJXMU-UHFFFAOYSA-N 2 2 366.429 0.971 20 0 FCADLP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003177 492991977 /nfs/dbraw/zinc/99/19/77/492991977.db2.gz DXGGIXHKEAAYBT-OAHLLOKOSA-N 2 2 369.473 0.667 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652698722 492993486 /nfs/dbraw/zinc/99/34/86/492993486.db2.gz JCBMHSDYSOFBLO-MSOLQXFVSA-N 2 2 360.502 0.861 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652698722 492993488 /nfs/dbraw/zinc/99/34/88/492993488.db2.gz JCBMHSDYSOFBLO-MSOLQXFVSA-N 2 2 360.502 0.861 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC2([NH+](C)C)CCC2)[C@H]1c1[nH+]ccn1C ZINC000626593960 493000544 /nfs/dbraw/zinc/00/05/44/493000544.db2.gz KFSAAMYWGKNCGP-GJZGRUSLSA-N 2 2 363.462 0.309 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000639478543 493012124 /nfs/dbraw/zinc/01/21/24/493012124.db2.gz RAFBNDKBANKKQE-OAHLLOKOSA-N 2 2 369.491 0.060 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000639478543 493012128 /nfs/dbraw/zinc/01/21/28/493012128.db2.gz RAFBNDKBANKKQE-OAHLLOKOSA-N 2 2 369.491 0.060 20 0 FCADLP C[NH+]1CCC2(CC1)CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CCO2 ZINC000646102865 493012966 /nfs/dbraw/zinc/01/29/66/493012966.db2.gz VAVHVMCWKPFCHP-UHFFFAOYSA-N 2 2 368.522 0.010 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736964 493013250 /nfs/dbraw/zinc/01/32/50/493013250.db2.gz VELQMDOBGXKWAE-PXNSSMCTSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736964 493013254 /nfs/dbraw/zinc/01/32/54/493013254.db2.gz VELQMDOBGXKWAE-PXNSSMCTSA-N 2 2 358.486 0.569 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485308 493013502 /nfs/dbraw/zinc/01/35/02/493013502.db2.gz OXBWRMLNVVPISD-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485308 493013504 /nfs/dbraw/zinc/01/35/04/493013504.db2.gz OXBWRMLNVVPISD-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639485308 493013507 /nfs/dbraw/zinc/01/35/07/493013507.db2.gz OXBWRMLNVVPISD-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639485308 493013512 /nfs/dbraw/zinc/01/35/12/493013512.db2.gz OXBWRMLNVVPISD-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736956 493013510 /nfs/dbraw/zinc/01/35/10/493013510.db2.gz UZNUARCAQYMRMN-RBUKOAKNSA-N 2 2 372.513 0.959 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736956 493013515 /nfs/dbraw/zinc/01/35/15/493013515.db2.gz UZNUARCAQYMRMN-RBUKOAKNSA-N 2 2 372.513 0.959 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736963 493013528 /nfs/dbraw/zinc/01/35/28/493013528.db2.gz VELQMDOBGXKWAE-FXAWDEMLSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736963 493013531 /nfs/dbraw/zinc/01/35/31/493013531.db2.gz VELQMDOBGXKWAE-FXAWDEMLSA-N 2 2 358.486 0.569 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508628 493014504 /nfs/dbraw/zinc/01/45/04/493014504.db2.gz XUZWGZOAYIYQFQ-HNNXBMFYSA-N 2 2 374.551 0.190 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508628 493014508 /nfs/dbraw/zinc/01/45/08/493014508.db2.gz XUZWGZOAYIYQFQ-HNNXBMFYSA-N 2 2 374.551 0.190 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508628 493014512 /nfs/dbraw/zinc/01/45/12/493014512.db2.gz XUZWGZOAYIYQFQ-HNNXBMFYSA-N 2 2 374.551 0.190 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508628 493014517 /nfs/dbraw/zinc/01/45/17/493014517.db2.gz XUZWGZOAYIYQFQ-HNNXBMFYSA-N 2 2 374.551 0.190 20 0 FCADLP C[N@@H+]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC12CCCCC2 ZINC000632534338 493022644 /nfs/dbraw/zinc/02/26/44/493022644.db2.gz TWKSFHCSKUDBDH-UHFFFAOYSA-N 2 2 359.536 0.989 20 0 FCADLP C[N@H+]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC12CCCCC2 ZINC000632534338 493022646 /nfs/dbraw/zinc/02/26/46/493022646.db2.gz TWKSFHCSKUDBDH-UHFFFAOYSA-N 2 2 359.536 0.989 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701657 493033865 /nfs/dbraw/zinc/03/38/65/493033865.db2.gz HUIXSQIWCFOAIQ-DOTOQJQBSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701657 493033873 /nfs/dbraw/zinc/03/38/73/493033873.db2.gz HUIXSQIWCFOAIQ-DOTOQJQBSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000639701657 493033876 /nfs/dbraw/zinc/03/38/76/493033876.db2.gz HUIXSQIWCFOAIQ-DOTOQJQBSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000639701657 493033882 /nfs/dbraw/zinc/03/38/82/493033882.db2.gz HUIXSQIWCFOAIQ-DOTOQJQBSA-N 2 2 364.490 0.986 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000626878748 493045064 /nfs/dbraw/zinc/04/50/64/493045064.db2.gz GVDPTCYGCVFNGB-CQSZACIVSA-N 2 2 371.441 0.806 20 0 FCADLP O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000639784194 493049218 /nfs/dbraw/zinc/04/92/18/493049218.db2.gz ZPLSRZBYBOBPNC-GJZGRUSLSA-N 2 2 353.488 0.210 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@@]3(C)CO)CC2)c1 ZINC000639853527 493057342 /nfs/dbraw/zinc/05/73/42/493057342.db2.gz GJKSXDHYYHDHHX-ICSRJNTNSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@@]3(C)CO)CC2)c1 ZINC000639853527 493057346 /nfs/dbraw/zinc/05/73/46/493057346.db2.gz GJKSXDHYYHDHHX-ICSRJNTNSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@]3(C)CO)CC2)c1 ZINC000639853529 493057593 /nfs/dbraw/zinc/05/75/93/493057593.db2.gz GJKSXDHYYHDHHX-UYAOXDASSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@]3(C)CO)CC2)c1 ZINC000639853529 493057598 /nfs/dbraw/zinc/05/75/98/493057598.db2.gz GJKSXDHYYHDHHX-UYAOXDASSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)C[C@@H]3CO)CC2)c1 ZINC000639868950 493061639 /nfs/dbraw/zinc/06/16/39/493061639.db2.gz PXEOISRLWANIGD-LJQANCHMSA-N 2 2 360.502 0.248 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)C[C@@H]3CO)CC2)c1 ZINC000639868950 493061643 /nfs/dbraw/zinc/06/16/43/493061643.db2.gz PXEOISRLWANIGD-LJQANCHMSA-N 2 2 360.502 0.248 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000626924583 493064116 /nfs/dbraw/zinc/06/41/16/493064116.db2.gz AOLGRSKZZLHCMC-ROUUACIJSA-N 2 2 362.474 0.656 20 0 FCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000653069072 493066343 /nfs/dbraw/zinc/06/63/43/493066343.db2.gz BAHNGFVKZZMNKD-DYVFJYSZSA-N 2 2 362.474 0.800 20 0 FCADLP CCN(CC[NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000626954626 493070173 /nfs/dbraw/zinc/07/01/73/493070173.db2.gz HNTWJFNMAAMKNU-UHFFFAOYSA-N 2 2 350.463 0.888 20 0 FCADLP COC[C@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000639957957 493072353 /nfs/dbraw/zinc/07/23/53/493072353.db2.gz XFPRNTKYPDHVLR-IBGZPJMESA-N 2 2 365.474 0.326 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000653156035 493079025 /nfs/dbraw/zinc/07/90/25/493079025.db2.gz PEFYSIFUICDLGF-HUUCEWRRSA-N 2 2 360.524 0.118 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000653156036 493079097 /nfs/dbraw/zinc/07/90/97/493079097.db2.gz PEFYSIFUICDLGF-LSDHHAIUSA-N 2 2 360.524 0.118 20 0 FCADLP COc1cc2c(c(OC)c1OC)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653156102 493079380 /nfs/dbraw/zinc/07/93/80/493079380.db2.gz RBDZLJUCPYZPLG-HNNXBMFYSA-N 2 2 365.474 0.919 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000653160107 493080324 /nfs/dbraw/zinc/08/03/24/493080324.db2.gz YGKKKABEWCFBGR-LSDHHAIUSA-N 2 2 359.430 0.916 20 0 FCADLP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)CC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000640059634 493081450 /nfs/dbraw/zinc/08/14/50/493081450.db2.gz UIXROPDFSBCQQD-QGZVFWFLSA-N 2 2 373.501 0.720 20 0 FCADLP Cc1cc2ncn(C[C@H](O)C[N@H+](C)CC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000640059634 493081451 /nfs/dbraw/zinc/08/14/51/493081451.db2.gz UIXROPDFSBCQQD-QGZVFWFLSA-N 2 2 373.501 0.720 20 0 FCADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1=O ZINC000653201922 493082778 /nfs/dbraw/zinc/08/27/78/493082778.db2.gz BKFYZZAQWLRHAV-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1=O ZINC000653201922 493082782 /nfs/dbraw/zinc/08/27/82/493082782.db2.gz BKFYZZAQWLRHAV-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccccc1C[NH+]1CCOCC1 ZINC000646801522 493097947 /nfs/dbraw/zinc/09/79/47/493097947.db2.gz XGAARDMQMKZWTM-UHFFFAOYSA-N 2 2 371.445 0.299 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1)[NH+]1CCOCC1 ZINC000633033191 493106754 /nfs/dbraw/zinc/10/67/54/493106754.db2.gz HKNXAIZFCLQNGM-OLMNPRSZSA-N 2 2 372.469 0.981 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1c(F)cccc1F ZINC000646835302 493109245 /nfs/dbraw/zinc/10/92/45/493109245.db2.gz ADDWSXAMAHMKIT-DOMZBBRYSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1c(F)cccc1F ZINC000646835302 493109246 /nfs/dbraw/zinc/10/92/46/493109246.db2.gz ADDWSXAMAHMKIT-DOMZBBRYSA-N 2 2 354.401 0.633 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000627232475 493113258 /nfs/dbraw/zinc/11/32/58/493113258.db2.gz CVBMIAKXGGKIPL-GOEBONIOSA-N 2 2 357.418 0.570 20 0 FCADLP C[C@]1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCC[NH2+]C1 ZINC000640552282 493116293 /nfs/dbraw/zinc/11/62/93/493116293.db2.gz BANPUWGVGRASQZ-SFHVURJKSA-N 2 2 351.495 0.326 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1 ZINC000640562639 493117623 /nfs/dbraw/zinc/11/76/23/493117623.db2.gz JPYATPLPMXLLPK-GOEBONIOSA-N 2 2 359.392 0.885 20 0 FCADLP C[C@@H](COCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653397935 493119390 /nfs/dbraw/zinc/11/93/90/493119390.db2.gz CPRMFJDJQONHEI-GOEBONIOSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](COCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653397935 493119394 /nfs/dbraw/zinc/11/93/94/493119394.db2.gz CPRMFJDJQONHEI-GOEBONIOSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633090369 493121752 /nfs/dbraw/zinc/12/17/52/493121752.db2.gz DCWXDVGPDHYMAS-OIISXLGYSA-N 2 2 357.458 0.250 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CCC1 ZINC000653404661 493123414 /nfs/dbraw/zinc/12/34/14/493123414.db2.gz KTHZELXGLSZDEQ-GOSISDBHSA-N 2 2 372.513 0.972 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CCC1 ZINC000653404661 493123416 /nfs/dbraw/zinc/12/34/16/493123416.db2.gz KTHZELXGLSZDEQ-GOSISDBHSA-N 2 2 372.513 0.972 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000633116941 493132431 /nfs/dbraw/zinc/13/24/31/493132431.db2.gz YEDSWAZLWQBQSY-HUUCEWRRSA-N 2 2 374.489 0.505 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000633129497 493134897 /nfs/dbraw/zinc/13/48/97/493134897.db2.gz NLOVWQONPAOUQV-DOTOQJQBSA-N 2 2 362.478 0.065 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000633129497 493134901 /nfs/dbraw/zinc/13/49/01/493134901.db2.gz NLOVWQONPAOUQV-DOTOQJQBSA-N 2 2 362.478 0.065 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000646971151 493137004 /nfs/dbraw/zinc/13/70/04/493137004.db2.gz HNFXWRGKGPMPOK-GJZGRUSLSA-N 2 2 350.463 0.941 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000646971151 493137007 /nfs/dbraw/zinc/13/70/07/493137007.db2.gz HNFXWRGKGPMPOK-GJZGRUSLSA-N 2 2 350.463 0.941 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000659095048 493150386 /nfs/dbraw/zinc/15/03/86/493150386.db2.gz WQWMMBDKRMUMIM-HUUCEWRRSA-N 2 2 362.474 0.960 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000659095048 493150391 /nfs/dbraw/zinc/15/03/91/493150391.db2.gz WQWMMBDKRMUMIM-HUUCEWRRSA-N 2 2 362.474 0.960 20 0 FCADLP [NH3+][C@@H](CO)Cc1cn(Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000640958953 493154288 /nfs/dbraw/zinc/15/42/88/493154288.db2.gz RNNLBYSGSKPDAA-SNVBAGLBSA-N 2 2 351.208 0.599 20 0 FCADLP Cc1cccc2[nH+]c(Cn3cc(CNC(=O)C4CC[NH2+]CC4)nn3)cn21 ZINC000641030330 493162753 /nfs/dbraw/zinc/16/27/53/493162753.db2.gz RKKDTUSWMHVFFR-UHFFFAOYSA-N 2 2 353.430 0.898 20 0 FCADLP C[NH2+][C@@H](C)c1cn(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)nn1 ZINC000641028343 493162991 /nfs/dbraw/zinc/16/29/91/493162991.db2.gz GWEACASHJHXWQO-HNNXBMFYSA-N 2 2 372.473 0.912 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000659284575 493183742 /nfs/dbraw/zinc/18/37/42/493183742.db2.gz LACMPFNZXXOXOS-INIZCTEOSA-N 2 2 358.446 0.349 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659454180 493183927 /nfs/dbraw/zinc/18/39/27/493183927.db2.gz YHUGENAQEUOFES-RCCFBDPRSA-N 2 2 363.481 0.816 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659454180 493183931 /nfs/dbraw/zinc/18/39/31/493183931.db2.gz YHUGENAQEUOFES-RCCFBDPRSA-N 2 2 363.481 0.816 20 0 FCADLP COc1ccc([C@H](NC(=O)c2cn(CC[NH3+])nn2)c2[nH+]ccn2C)cc1 ZINC000659290789 493185458 /nfs/dbraw/zinc/18/54/58/493185458.db2.gz ATEPQIKMOCJJSD-HNNXBMFYSA-N 2 2 355.402 0.498 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)O1 ZINC000666449806 493185427 /nfs/dbraw/zinc/18/54/27/493185427.db2.gz JCKCRKYKEUPNTH-GEEKYZPCSA-N 2 2 374.445 0.337 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cnn1C ZINC000659313160 493188786 /nfs/dbraw/zinc/18/87/86/493188786.db2.gz GXVHIVSMUABNLP-HYVNUMGLSA-N 2 2 354.458 0.822 20 0 FCADLP CN(C(=O)C(=O)N1CCSCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345035 493194694 /nfs/dbraw/zinc/19/46/94/493194694.db2.gz SMEUQKWYUYHYLQ-HNNXBMFYSA-N 2 2 354.520 0.189 20 0 FCADLP CN(C(=O)C(=O)N1CCSCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345035 493194699 /nfs/dbraw/zinc/19/46/99/493194699.db2.gz SMEUQKWYUYHYLQ-HNNXBMFYSA-N 2 2 354.520 0.189 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681603988 493194824 /nfs/dbraw/zinc/19/48/24/493194824.db2.gz HRINQEZSMHGAEV-HOTGVXAUSA-N 2 2 355.446 0.657 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000681603988 493194828 /nfs/dbraw/zinc/19/48/28/493194828.db2.gz HRINQEZSMHGAEV-HOTGVXAUSA-N 2 2 355.446 0.657 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000627390474 493197517 /nfs/dbraw/zinc/19/75/17/493197517.db2.gz NBWXURHBNXIOBN-NEPJUHHUSA-N 2 2 361.368 0.375 20 0 FCADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627397888 493202116 /nfs/dbraw/zinc/20/21/16/493202116.db2.gz YRCQIWOEKANVGE-HUUCEWRRSA-N 2 2 364.446 0.027 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)CCC(=O)N1C ZINC000659544812 493209501 /nfs/dbraw/zinc/20/95/01/493209501.db2.gz XVTUXIZRHAIXLO-LZWOXQAQSA-N 2 2 362.478 0.899 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)NCCC2CC[NH2+]CC2)CCC(=O)N1C ZINC000659560727 493212736 /nfs/dbraw/zinc/21/27/36/493212736.db2.gz ADGBHUIAEZBFAW-HOCLYGCPSA-N 2 2 362.478 0.771 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659579685 493215842 /nfs/dbraw/zinc/21/58/42/493215842.db2.gz KXHXCMWDGYOQQL-IAGOWNOFSA-N 2 2 373.501 0.723 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666692014 493217287 /nfs/dbraw/zinc/21/72/87/493217287.db2.gz PEDNKQFTDCILLB-QGZVFWFLSA-N 2 2 358.442 0.552 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609502 493220327 /nfs/dbraw/zinc/22/03/27/493220327.db2.gz AYVHXVOZOYBHDT-QPIRBTGLSA-N 2 2 357.502 0.854 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609502 493220331 /nfs/dbraw/zinc/22/03/31/493220331.db2.gz AYVHXVOZOYBHDT-QPIRBTGLSA-N 2 2 357.502 0.854 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637711 493220348 /nfs/dbraw/zinc/22/03/48/493220348.db2.gz NIUOTYGLAVNWKE-HOCLYGCPSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637711 493220351 /nfs/dbraw/zinc/22/03/51/493220351.db2.gz NIUOTYGLAVNWKE-HOCLYGCPSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672638046 493221071 /nfs/dbraw/zinc/22/10/71/493221071.db2.gz QPEOTMPIUPUETP-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672638046 493221074 /nfs/dbraw/zinc/22/10/74/493221074.db2.gz QPEOTMPIUPUETP-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617001 493221203 /nfs/dbraw/zinc/22/12/03/493221203.db2.gz ZGYVJHFXAWYOKH-CWVKQELPSA-N 2 2 350.442 0.384 20 0 FCADLP CCN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638201 493221776 /nfs/dbraw/zinc/22/17/76/493221776.db2.gz BFHZRAUCFTUXAQ-QGZVFWFLSA-N 2 2 373.501 0.715 20 0 FCADLP CCN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638201 493221779 /nfs/dbraw/zinc/22/17/79/493221779.db2.gz BFHZRAUCFTUXAQ-QGZVFWFLSA-N 2 2 373.501 0.715 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639136 493221831 /nfs/dbraw/zinc/22/18/31/493221831.db2.gz ZSQWXGFQDUFSMN-ZBFHGGJFSA-N 2 2 374.489 0.188 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639136 493221834 /nfs/dbraw/zinc/22/18/34/493221834.db2.gz ZSQWXGFQDUFSMN-ZBFHGGJFSA-N 2 2 374.489 0.188 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000672639425 493221845 /nfs/dbraw/zinc/22/18/45/493221845.db2.gz CFFCWYZYRGPUEF-XIRDDKMYSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000672639425 493221847 /nfs/dbraw/zinc/22/18/47/493221847.db2.gz CFFCWYZYRGPUEF-XIRDDKMYSA-N 2 2 366.506 0.345 20 0 FCADLP CCCCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639897 493222462 /nfs/dbraw/zinc/22/24/62/493222462.db2.gz OLFKPAFIOBJFAS-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCN(CCOC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639897 493222468 /nfs/dbraw/zinc/22/24/68/493222468.db2.gz OLFKPAFIOBJFAS-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CCOC[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640275 493225063 /nfs/dbraw/zinc/22/50/63/493225063.db2.gz YSTFYXVYKOMAGL-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640275 493225064 /nfs/dbraw/zinc/22/50/64/493225064.db2.gz YSTFYXVYKOMAGL-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641974 493226331 /nfs/dbraw/zinc/22/63/31/493226331.db2.gz VEYXTKXHVDRJBX-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641974 493226334 /nfs/dbraw/zinc/22/63/34/493226334.db2.gz VEYXTKXHVDRJBX-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672642346 493226882 /nfs/dbraw/zinc/22/68/82/493226882.db2.gz HABNSFWBUSAXKM-ZMSDIMECSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672642346 493226884 /nfs/dbraw/zinc/22/68/84/493226884.db2.gz HABNSFWBUSAXKM-ZMSDIMECSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H]1c2cccn2CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643373 493227622 /nfs/dbraw/zinc/22/76/22/493227622.db2.gz WNCAQGBBKZDFPU-HOTGVXAUSA-N 2 2 373.501 0.676 20 0 FCADLP C[C@H]1c2cccn2CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643373 493227624 /nfs/dbraw/zinc/22/76/24/493227624.db2.gz WNCAQGBBKZDFPU-HOTGVXAUSA-N 2 2 373.501 0.676 20 0 FCADLP CCN(CCC1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643069 493228149 /nfs/dbraw/zinc/22/81/49/493228149.db2.gz OBJZFPVFNQDSBZ-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CCC1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643069 493228154 /nfs/dbraw/zinc/22/81/54/493228154.db2.gz OBJZFPVFNQDSBZ-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672706456 493237751 /nfs/dbraw/zinc/23/77/51/493237751.db2.gz BVNASSIABNHKPK-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672706456 493237753 /nfs/dbraw/zinc/23/77/53/493237753.db2.gz BVNASSIABNHKPK-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000666974501 493244586 /nfs/dbraw/zinc/24/45/86/493244586.db2.gz RTJJUBPFHFJLIH-ZWKOTPCHSA-N 2 2 366.506 0.746 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672750982 493244988 /nfs/dbraw/zinc/24/49/88/493244988.db2.gz DPEFHASEXOTGGN-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672750982 493244990 /nfs/dbraw/zinc/24/49/90/493244990.db2.gz DPEFHASEXOTGGN-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)[nH+]c12 ZINC000672764426 493246806 /nfs/dbraw/zinc/24/68/06/493246806.db2.gz NATLFPKEEBZKDY-MRXNPFEDSA-N 2 2 357.458 0.854 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCCC1 ZINC000659677861 493247131 /nfs/dbraw/zinc/24/71/31/493247131.db2.gz IGTUEZZWDVGFHC-UHFFFAOYSA-N 2 2 350.488 0.610 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCCC1 ZINC000659677861 493247135 /nfs/dbraw/zinc/24/71/35/493247135.db2.gz IGTUEZZWDVGFHC-UHFFFAOYSA-N 2 2 350.488 0.610 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)NC[C@@H](C)[NH3+])CC2)cc(OC)c1OC ZINC000641506333 493247927 /nfs/dbraw/zinc/24/79/27/493247927.db2.gz RQDMYGNLSKNFRU-CYBMUJFWSA-N 2 2 366.462 0.887 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000659682755 493249707 /nfs/dbraw/zinc/24/97/07/493249707.db2.gz HVUDIIFWNNQOFU-CQSZACIVSA-N 2 2 361.421 0.961 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000659682879 493250288 /nfs/dbraw/zinc/25/02/88/493250288.db2.gz IPYNMBCNLXIOAC-CQSZACIVSA-N 2 2 361.421 0.961 20 0 FCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000681948500 493256087 /nfs/dbraw/zinc/25/60/87/493256087.db2.gz BBNVFBRLWCSISH-INIZCTEOSA-N 2 2 369.554 0.499 20 0 FCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC[N@H+]1CC(C)(C)O ZINC000681948500 493256090 /nfs/dbraw/zinc/25/60/90/493256090.db2.gz BBNVFBRLWCSISH-INIZCTEOSA-N 2 2 369.554 0.499 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672899344 493264666 /nfs/dbraw/zinc/26/46/66/493264666.db2.gz ZAFCCUIVRIYTNJ-KRWDZBQOSA-N 2 2 369.554 0.358 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672899344 493264673 /nfs/dbraw/zinc/26/46/73/493264673.db2.gz ZAFCCUIVRIYTNJ-KRWDZBQOSA-N 2 2 369.554 0.358 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672899344 493264674 /nfs/dbraw/zinc/26/46/74/493264674.db2.gz ZAFCCUIVRIYTNJ-KRWDZBQOSA-N 2 2 369.554 0.358 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672899344 493264679 /nfs/dbraw/zinc/26/46/79/493264679.db2.gz ZAFCCUIVRIYTNJ-KRWDZBQOSA-N 2 2 369.554 0.358 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641670728 493275974 /nfs/dbraw/zinc/27/59/74/493275974.db2.gz RMLFKODPQJFFST-GVDBMIGSSA-N 2 2 361.490 0.436 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641670728 493275976 /nfs/dbraw/zinc/27/59/76/493275976.db2.gz RMLFKODPQJFFST-GVDBMIGSSA-N 2 2 361.490 0.436 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659745013 493283158 /nfs/dbraw/zinc/28/31/58/493283158.db2.gz OFLUSVCEKQHHLV-FVWXCPNNSA-N 2 2 356.470 0.588 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659745013 493283160 /nfs/dbraw/zinc/28/31/60/493283160.db2.gz OFLUSVCEKQHHLV-FVWXCPNNSA-N 2 2 356.470 0.588 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269226 493283730 /nfs/dbraw/zinc/28/37/30/493283730.db2.gz HJDQVOGVROYJTA-CQSZACIVSA-N 2 2 361.446 0.313 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269226 493283732 /nfs/dbraw/zinc/28/37/32/493283732.db2.gz HJDQVOGVROYJTA-CQSZACIVSA-N 2 2 361.446 0.313 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673148471 493295991 /nfs/dbraw/zinc/29/59/91/493295991.db2.gz YEHALHFHUZZBJB-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673148471 493295994 /nfs/dbraw/zinc/29/59/94/493295994.db2.gz YEHALHFHUZZBJB-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673148471 493295997 /nfs/dbraw/zinc/29/59/97/493295997.db2.gz YEHALHFHUZZBJB-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673148471 493296000 /nfs/dbraw/zinc/29/60/00/493296000.db2.gz YEHALHFHUZZBJB-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284371 493311519 /nfs/dbraw/zinc/31/15/19/493311519.db2.gz KXLWWNRZOCLIAZ-QGZVFWFLSA-N 2 2 360.458 0.080 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284371 493311520 /nfs/dbraw/zinc/31/15/20/493311520.db2.gz KXLWWNRZOCLIAZ-QGZVFWFLSA-N 2 2 360.458 0.080 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284648 493312077 /nfs/dbraw/zinc/31/20/77/493312077.db2.gz LTTSSFSQCPYAHZ-SFHVURJKSA-N 2 2 374.485 0.470 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284648 493312079 /nfs/dbraw/zinc/31/20/79/493312079.db2.gz LTTSSFSQCPYAHZ-SFHVURJKSA-N 2 2 374.485 0.470 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000673288639 493313661 /nfs/dbraw/zinc/31/36/61/493313661.db2.gz OCNBKIBQVVGARK-MRXNPFEDSA-N 2 2 362.499 0.454 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000673288639 493313664 /nfs/dbraw/zinc/31/36/64/493313664.db2.gz OCNBKIBQVVGARK-MRXNPFEDSA-N 2 2 362.499 0.454 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1)N1CCCC1 ZINC000682825035 493321658 /nfs/dbraw/zinc/32/16/58/493321658.db2.gz OQQGZUJGQNPBEP-UHFFFAOYSA-N 2 2 351.495 0.422 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651824 493369881 /nfs/dbraw/zinc/36/98/81/493369881.db2.gz CLXLACGLBMRRRR-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651824 493369884 /nfs/dbraw/zinc/36/98/84/493369884.db2.gz CLXLACGLBMRRRR-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651824 493369886 /nfs/dbraw/zinc/36/98/86/493369886.db2.gz CLXLACGLBMRRRR-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651824 493369889 /nfs/dbraw/zinc/36/98/89/493369889.db2.gz CLXLACGLBMRRRR-HXUWFJFHSA-N 2 2 374.485 0.982 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673033 493371469 /nfs/dbraw/zinc/37/14/69/493371469.db2.gz ZINYQHJFFTXLOS-MRXNPFEDSA-N 2 2 372.535 0.403 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673033 493371471 /nfs/dbraw/zinc/37/14/71/493371471.db2.gz ZINYQHJFFTXLOS-MRXNPFEDSA-N 2 2 372.535 0.403 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673033 493371473 /nfs/dbraw/zinc/37/14/73/493371473.db2.gz ZINYQHJFFTXLOS-MRXNPFEDSA-N 2 2 372.535 0.403 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673033 493371475 /nfs/dbraw/zinc/37/14/75/493371475.db2.gz ZINYQHJFFTXLOS-MRXNPFEDSA-N 2 2 372.535 0.403 20 0 FCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664674 493371594 /nfs/dbraw/zinc/37/15/94/493371594.db2.gz RPOOYSWMJMPFPC-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664674 493371596 /nfs/dbraw/zinc/37/15/96/493371596.db2.gz RPOOYSWMJMPFPC-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664674 493371598 /nfs/dbraw/zinc/37/15/98/493371598.db2.gz RPOOYSWMJMPFPC-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664674 493371600 /nfs/dbraw/zinc/37/16/00/493371600.db2.gz RPOOYSWMJMPFPC-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000660694552 493373075 /nfs/dbraw/zinc/37/30/75/493373075.db2.gz DZCLQIWNQQHEAG-HOTGVXAUSA-N 2 2 368.522 0.171 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660831756 493383511 /nfs/dbraw/zinc/38/35/11/493383511.db2.gz VEXKKBWGJVOGGH-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660831756 493383512 /nfs/dbraw/zinc/38/35/12/493383512.db2.gz VEXKKBWGJVOGGH-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP CCn1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000683983677 493383785 /nfs/dbraw/zinc/38/37/85/493383785.db2.gz OUOHVJLDQPHSMF-INIZCTEOSA-N 2 2 361.490 0.836 20 0 FCADLP CCn1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000683983677 493383787 /nfs/dbraw/zinc/38/37/87/493383787.db2.gz OUOHVJLDQPHSMF-INIZCTEOSA-N 2 2 361.490 0.836 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294583 493405692 /nfs/dbraw/zinc/40/56/92/493405692.db2.gz HIEWPQYCGPJILH-CABCVRRESA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294583 493405696 /nfs/dbraw/zinc/40/56/96/493405696.db2.gz HIEWPQYCGPJILH-CABCVRRESA-N 2 2 351.495 0.463 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000684470657 493414251 /nfs/dbraw/zinc/41/42/51/493414251.db2.gz NEUGZAJWLHBBLC-UHFFFAOYSA-N 2 2 360.462 0.751 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661369451 493430722 /nfs/dbraw/zinc/43/07/22/493430722.db2.gz VZYNOBBWLKLZIO-XJKCOSOUSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661369451 493430723 /nfs/dbraw/zinc/43/07/23/493430723.db2.gz VZYNOBBWLKLZIO-XJKCOSOUSA-N 2 2 362.478 0.912 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCc3ccco3)C2)CC1 ZINC000668910136 493434898 /nfs/dbraw/zinc/43/48/98/493434898.db2.gz DPOYCFKYNPARMW-OAHLLOKOSA-N 2 2 362.474 0.613 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCc3ccco3)C2)CC1 ZINC000668910136 493434900 /nfs/dbraw/zinc/43/49/00/493434900.db2.gz DPOYCFKYNPARMW-OAHLLOKOSA-N 2 2 362.474 0.613 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000661403504 493435699 /nfs/dbraw/zinc/43/56/99/493435699.db2.gz RNYRZCQRVOKDGD-FUHWJXTLSA-N 2 2 371.485 0.591 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000661403504 493435703 /nfs/dbraw/zinc/43/57/03/493435703.db2.gz RNYRZCQRVOKDGD-FUHWJXTLSA-N 2 2 371.485 0.591 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000685081442 493448170 /nfs/dbraw/zinc/44/81/70/493448170.db2.gz IMWZFMRBJCJUHI-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000685081442 493448172 /nfs/dbraw/zinc/44/81/72/493448172.db2.gz IMWZFMRBJCJUHI-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000685081442 493448174 /nfs/dbraw/zinc/44/81/74/493448174.db2.gz IMWZFMRBJCJUHI-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000685081442 493448175 /nfs/dbraw/zinc/44/81/75/493448175.db2.gz IMWZFMRBJCJUHI-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@@H+]1C1CC1 ZINC000685276310 493471116 /nfs/dbraw/zinc/47/11/16/493471116.db2.gz XCEQSJGZAZGUEK-INMHGKMJSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@H+]1C1CC1 ZINC000685276310 493471119 /nfs/dbraw/zinc/47/11/19/493471119.db2.gz XCEQSJGZAZGUEK-INMHGKMJSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@@H+]1C1CC1 ZINC000685276311 493471157 /nfs/dbraw/zinc/47/11/57/493471157.db2.gz XCEQSJGZAZGUEK-VYDXJSESSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@H+]1C1CC1 ZINC000685276311 493471160 /nfs/dbraw/zinc/47/11/60/493471160.db2.gz XCEQSJGZAZGUEK-VYDXJSESSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305839 493473394 /nfs/dbraw/zinc/47/33/94/493473394.db2.gz ZXFRJPXVUYZEPW-LPHOPBHVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305839 493473397 /nfs/dbraw/zinc/47/33/97/493473397.db2.gz ZXFRJPXVUYZEPW-LPHOPBHVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301331 493473561 /nfs/dbraw/zinc/47/35/61/493473561.db2.gz FWMCRZVSMXVHMV-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301331 493473565 /nfs/dbraw/zinc/47/35/65/493473565.db2.gz FWMCRZVSMXVHMV-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301331 493473567 /nfs/dbraw/zinc/47/35/67/493473567.db2.gz FWMCRZVSMXVHMV-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301331 493473570 /nfs/dbraw/zinc/47/35/70/493473570.db2.gz FWMCRZVSMXVHMV-MPTYRVRUSA-N 2 2 366.506 0.153 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955475 493479535 /nfs/dbraw/zinc/47/95/35/493479535.db2.gz IHVNKCKHIBCKNS-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955475 493479538 /nfs/dbraw/zinc/47/95/38/493479538.db2.gz IHVNKCKHIBCKNS-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685359166 493485646 /nfs/dbraw/zinc/48/56/46/493485646.db2.gz JBXCXPMUMZSNLP-MRXNPFEDSA-N 2 2 361.490 0.895 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000662286352 493502288 /nfs/dbraw/zinc/50/22/88/493502288.db2.gz SRIXJVNTHUGNEK-UHFFFAOYSA-N 2 2 373.461 0.230 20 0 FCADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285710 493502621 /nfs/dbraw/zinc/50/26/21/493502621.db2.gz ORQADYPWCNIXND-HNNXBMFYSA-N 2 2 363.458 0.379 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000662286272 493502761 /nfs/dbraw/zinc/50/27/61/493502761.db2.gz XNSHNYAXAJMXDO-UHFFFAOYSA-N 2 2 364.837 0.563 20 0 FCADLP c1c([C@H]2CCC[N@@H+](Cc3nnnn3C3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338728 493507546 /nfs/dbraw/zinc/50/75/46/493507546.db2.gz VAOFKFWFDBXFKQ-ZDUSSCGKSA-N 2 2 357.466 0.520 20 0 FCADLP c1c([C@H]2CCC[N@H+](Cc3nnnn3C3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338728 493507550 /nfs/dbraw/zinc/50/75/50/493507550.db2.gz VAOFKFWFDBXFKQ-ZDUSSCGKSA-N 2 2 357.466 0.520 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669491572 493507773 /nfs/dbraw/zinc/50/77/73/493507773.db2.gz DEAUFLPKANYDHG-SJORKVTESA-N 2 2 363.506 0.182 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000675885860 493510543 /nfs/dbraw/zinc/51/05/43/493510543.db2.gz JBYFTQQZHPQMNK-AEFFLSMTSA-N 2 2 371.489 0.719 20 0 FCADLP C[N@H+](C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911344 493522286 /nfs/dbraw/zinc/52/22/86/493522286.db2.gz HEMWBUFNQGBEMC-ROUUACIJSA-N 2 2 372.473 0.702 20 0 FCADLP C[N@@H+](C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911344 493522290 /nfs/dbraw/zinc/52/22/90/493522290.db2.gz HEMWBUFNQGBEMC-ROUUACIJSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911344 493522294 /nfs/dbraw/zinc/52/22/94/493522294.db2.gz HEMWBUFNQGBEMC-ROUUACIJSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911344 493522296 /nfs/dbraw/zinc/52/22/96/493522296.db2.gz HEMWBUFNQGBEMC-ROUUACIJSA-N 2 2 372.473 0.702 20 0 FCADLP Cc1c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662534308 493524152 /nfs/dbraw/zinc/52/41/52/493524152.db2.gz JYZHDYKHUJWJBV-AWEZNQCLSA-N 2 2 356.434 0.182 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cnn1C ZINC000662543014 493524882 /nfs/dbraw/zinc/52/48/82/493524882.db2.gz QTMKSGNZIRZVMI-BBWFWOEESA-N 2 2 371.489 0.280 20 0 FCADLP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cn[nH]c3[C@@H]3CC[NH2+]C3)cc2)n[nH]1 ZINC000662556609 493525642 /nfs/dbraw/zinc/52/56/42/493525642.db2.gz BMVNRWDUWSBUNR-LLVKDONJSA-N 2 2 352.402 0.983 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662659127 493530130 /nfs/dbraw/zinc/53/01/30/493530130.db2.gz PJMVBQVSCYFKTP-HNNXBMFYSA-N 2 2 355.446 0.950 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662661375 493530245 /nfs/dbraw/zinc/53/02/45/493530245.db2.gz AIHGUULJYYDLPR-WMZOPIPTSA-N 2 2 363.458 0.712 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665224 493530755 /nfs/dbraw/zinc/53/07/55/493530755.db2.gz JIWBGXMEJKRQBW-CVEARBPZSA-N 2 2 362.478 0.530 20 0 FCADLP CC[C@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000662701925 493533268 /nfs/dbraw/zinc/53/32/68/493533268.db2.gz FWHKZYCBQHQISH-HNNXBMFYSA-N 2 2 354.476 0.559 20 0 FCADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676241340 493534085 /nfs/dbraw/zinc/53/40/85/493534085.db2.gz AIXBWGGOKMVZSA-GDBMZVCRSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241340 493534087 /nfs/dbraw/zinc/53/40/87/493534087.db2.gz AIXBWGGOKMVZSA-GDBMZVCRSA-N 2 2 363.462 0.437 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662797355 493542797 /nfs/dbraw/zinc/54/27/97/493542797.db2.gz YILQWOVXXRQOPK-QZTJIDSGSA-N 2 2 363.458 0.582 20 0 FCADLP CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670450593 493569501 /nfs/dbraw/zinc/56/95/01/493569501.db2.gz SMWDWIZTCBLVLT-QGZVFWFLSA-N 2 2 358.486 0.930 20 0 FCADLP CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670450593 493569503 /nfs/dbraw/zinc/56/95/03/493569503.db2.gz SMWDWIZTCBLVLT-QGZVFWFLSA-N 2 2 358.486 0.930 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813785 493572485 /nfs/dbraw/zinc/57/24/85/493572485.db2.gz HUDYONDCZSHSFO-DOTOQJQBSA-N 2 2 360.506 0.776 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813785 493572486 /nfs/dbraw/zinc/57/24/86/493572486.db2.gz HUDYONDCZSHSFO-DOTOQJQBSA-N 2 2 360.506 0.776 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000670503420 493575600 /nfs/dbraw/zinc/57/56/00/493575600.db2.gz VOPRBEJBXVYHKP-USXIJHARSA-N 2 2 362.474 0.241 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000670503420 493575603 /nfs/dbraw/zinc/57/56/03/493575603.db2.gz VOPRBEJBXVYHKP-USXIJHARSA-N 2 2 362.474 0.241 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccs3)C2)CC1 ZINC000670504884 493575713 /nfs/dbraw/zinc/57/57/13/493575713.db2.gz WGZSQPKPCOHUEC-CYBMUJFWSA-N 2 2 350.488 0.649 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccs3)C2)CC1 ZINC000670504884 493575714 /nfs/dbraw/zinc/57/57/14/493575714.db2.gz WGZSQPKPCOHUEC-CYBMUJFWSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000670503421 493575772 /nfs/dbraw/zinc/57/57/72/493575772.db2.gz VOPRBEJBXVYHKP-XIRDDKMYSA-N 2 2 362.474 0.241 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670503421 493575773 /nfs/dbraw/zinc/57/57/73/493575773.db2.gz VOPRBEJBXVYHKP-XIRDDKMYSA-N 2 2 362.474 0.241 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000670629974 493581558 /nfs/dbraw/zinc/58/15/58/493581558.db2.gz BFNXULGQVQCYIP-IAGOWNOFSA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000677203171 493589926 /nfs/dbraw/zinc/58/99/26/493589926.db2.gz YNPHOSQDPXPAHL-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CC[N@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000677203171 493589928 /nfs/dbraw/zinc/58/99/28/493589928.db2.gz YNPHOSQDPXPAHL-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CC(C)COCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670716995 493589963 /nfs/dbraw/zinc/58/99/63/493589963.db2.gz NWWAXPMZZGUFLY-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000663510476 493593286 /nfs/dbraw/zinc/59/32/86/493593286.db2.gz QNQOIRNNIKNUIH-CQSZACIVSA-N 2 2 351.447 0.630 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)nc[nH+]2)CC1 ZINC000663540693 493594989 /nfs/dbraw/zinc/59/49/89/493594989.db2.gz QCHFLZHSZZZHML-JKSUJKDBSA-N 2 2 361.490 0.863 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000670813152 493599796 /nfs/dbraw/zinc/59/97/96/493599796.db2.gz JZVDDLVVWZRGEX-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000670831147 493602670 /nfs/dbraw/zinc/60/26/70/493602670.db2.gz USRUGEXJXUXXHY-HNNXBMFYSA-N 2 2 360.458 0.293 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000670831147 493602673 /nfs/dbraw/zinc/60/26/73/493602673.db2.gz USRUGEXJXUXXHY-HNNXBMFYSA-N 2 2 360.458 0.293 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000670831148 493602885 /nfs/dbraw/zinc/60/28/85/493602885.db2.gz USRUGEXJXUXXHY-OAHLLOKOSA-N 2 2 360.458 0.293 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000670831148 493602887 /nfs/dbraw/zinc/60/28/87/493602887.db2.gz USRUGEXJXUXXHY-OAHLLOKOSA-N 2 2 360.458 0.293 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000670831984 493603290 /nfs/dbraw/zinc/60/32/90/493603290.db2.gz ONUAZECLQIPPCU-UHFFFAOYSA-N 2 2 369.469 0.801 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000670831984 493603291 /nfs/dbraw/zinc/60/32/91/493603291.db2.gz ONUAZECLQIPPCU-UHFFFAOYSA-N 2 2 369.469 0.801 20 0 FCADLP CN(C(=O)C(=O)NCCc1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670836462 493604293 /nfs/dbraw/zinc/60/42/93/493604293.db2.gz SPWCVZKMKZOCIR-GOSISDBHSA-N 2 2 373.501 0.367 20 0 FCADLP CN(C(=O)C(=O)NCCc1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670836462 493604295 /nfs/dbraw/zinc/60/42/95/493604295.db2.gz SPWCVZKMKZOCIR-GOSISDBHSA-N 2 2 373.501 0.367 20 0 FCADLP CC[C@@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670849451 493606126 /nfs/dbraw/zinc/60/61/26/493606126.db2.gz NRISJMSNSOXPDD-HOCLYGCPSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670849451 493606128 /nfs/dbraw/zinc/60/61/28/493606128.db2.gz NRISJMSNSOXPDD-HOCLYGCPSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)(CO)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000677647096 493611568 /nfs/dbraw/zinc/61/15/68/493611568.db2.gz KCDBCHRUPLMWAK-UHFFFAOYSA-N 2 2 361.490 0.119 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000677737632 493614638 /nfs/dbraw/zinc/61/46/38/493614638.db2.gz JMSDWVBURSUENM-INIZCTEOSA-N 2 2 367.538 0.070 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000663824631 493619364 /nfs/dbraw/zinc/61/93/64/493619364.db2.gz DQDVDYLFFTVEOM-HNNXBMFYSA-N 2 2 367.494 0.890 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000663898486 493623992 /nfs/dbraw/zinc/62/39/92/493623992.db2.gz GAPDPFFFGYWBGK-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000663898486 493623995 /nfs/dbraw/zinc/62/39/95/493623995.db2.gz GAPDPFFFGYWBGK-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000663898486 493623996 /nfs/dbraw/zinc/62/39/96/493623996.db2.gz GAPDPFFFGYWBGK-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000663898486 493623998 /nfs/dbraw/zinc/62/39/98/493623998.db2.gz GAPDPFFFGYWBGK-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CCOCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671030848 493624157 /nfs/dbraw/zinc/62/41/57/493624157.db2.gz MOJSLIAHXNKULI-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CCO1 ZINC000663898485 493624466 /nfs/dbraw/zinc/62/44/66/493624466.db2.gz GAPDPFFFGYWBGK-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CCO1 ZINC000663898485 493624467 /nfs/dbraw/zinc/62/44/67/493624467.db2.gz GAPDPFFFGYWBGK-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000663898485 493624468 /nfs/dbraw/zinc/62/44/68/493624468.db2.gz GAPDPFFFGYWBGK-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000663898485 493624469 /nfs/dbraw/zinc/62/44/69/493624469.db2.gz GAPDPFFFGYWBGK-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000677967638 493627517 /nfs/dbraw/zinc/62/75/17/493627517.db2.gz ARJKNIXYEBMDSP-HUUCEWRRSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000677967638 493627518 /nfs/dbraw/zinc/62/75/18/493627518.db2.gz ARJKNIXYEBMDSP-HUUCEWRRSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000677967638 493627520 /nfs/dbraw/zinc/62/75/20/493627520.db2.gz ARJKNIXYEBMDSP-HUUCEWRRSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000677967638 493627521 /nfs/dbraw/zinc/62/75/21/493627521.db2.gz ARJKNIXYEBMDSP-HUUCEWRRSA-N 2 2 362.474 0.761 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000678038424 493631264 /nfs/dbraw/zinc/63/12/64/493631264.db2.gz PXQLOWIEBBJJRD-ZACQAIPSSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000678038424 493631268 /nfs/dbraw/zinc/63/12/68/493631268.db2.gz PXQLOWIEBBJJRD-ZACQAIPSSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000678038424 493631270 /nfs/dbraw/zinc/63/12/70/493631270.db2.gz PXQLOWIEBBJJRD-ZACQAIPSSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000678038424 493631273 /nfs/dbraw/zinc/63/12/73/493631273.db2.gz PXQLOWIEBBJJRD-ZACQAIPSSA-N 2 2 356.511 0.848 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671107085 493635640 /nfs/dbraw/zinc/63/56/40/493635640.db2.gz FZMWZIALOFCHOP-BZUAXINKSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671107085 493635641 /nfs/dbraw/zinc/63/56/41/493635641.db2.gz FZMWZIALOFCHOP-BZUAXINKSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664095463 493636149 /nfs/dbraw/zinc/63/61/49/493636149.db2.gz KSGCJUGBXJVYQR-UHFFFAOYSA-N 2 2 356.536 0.789 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(CCOCCO)C3CCC3)C2)CC1 ZINC000664132526 493638752 /nfs/dbraw/zinc/63/87/52/493638752.db2.gz KERWAISOPVBOIO-MRXNPFEDSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(CCOCCO)C3CCC3)C2)CC1 ZINC000664132526 493638754 /nfs/dbraw/zinc/63/87/54/493638754.db2.gz KERWAISOPVBOIO-MRXNPFEDSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)CO1 ZINC000664175181 493641791 /nfs/dbraw/zinc/64/17/91/493641791.db2.gz XQOOUWBQCZSKLL-ZACQAIPSSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)CO1 ZINC000664175181 493641795 /nfs/dbraw/zinc/64/17/95/493641795.db2.gz XQOOUWBQCZSKLL-ZACQAIPSSA-N 2 2 368.522 0.896 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)C2)CC1 ZINC000678443889 493644431 /nfs/dbraw/zinc/64/44/31/493644431.db2.gz ACNVDWRXNQVNEM-GJYPPUQNSA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)C2)CC1 ZINC000678443889 493644434 /nfs/dbraw/zinc/64/44/34/493644434.db2.gz ACNVDWRXNQVNEM-GJYPPUQNSA-N 2 2 366.506 0.792 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664218809 493645426 /nfs/dbraw/zinc/64/54/26/493645426.db2.gz GBEDSJFKSXUFQT-FGTMMUONSA-N 2 2 369.554 0.668 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664218809 493645429 /nfs/dbraw/zinc/64/54/29/493645429.db2.gz GBEDSJFKSXUFQT-FGTMMUONSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664218809 493645432 /nfs/dbraw/zinc/64/54/32/493645432.db2.gz GBEDSJFKSXUFQT-FGTMMUONSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664218809 493645434 /nfs/dbraw/zinc/64/54/34/493645434.db2.gz GBEDSJFKSXUFQT-FGTMMUONSA-N 2 2 369.554 0.668 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664218813 493645475 /nfs/dbraw/zinc/64/54/75/493645475.db2.gz GBEDSJFKSXUFQT-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664218813 493645476 /nfs/dbraw/zinc/64/54/76/493645476.db2.gz GBEDSJFKSXUFQT-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664218813 493645478 /nfs/dbraw/zinc/64/54/78/493645478.db2.gz GBEDSJFKSXUFQT-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664218813 493645479 /nfs/dbraw/zinc/64/54/79/493645479.db2.gz GBEDSJFKSXUFQT-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000671348511 493658475 /nfs/dbraw/zinc/65/84/75/493658475.db2.gz DYQCQOOZMYCNHI-HNNXBMFYSA-N 2 2 365.478 0.083 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000671348511 493658477 /nfs/dbraw/zinc/65/84/77/493658477.db2.gz DYQCQOOZMYCNHI-HNNXBMFYSA-N 2 2 365.478 0.083 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671365620 493660815 /nfs/dbraw/zinc/66/08/15/493660815.db2.gz KHYLDLWMBYVSGY-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000671390472 493663524 /nfs/dbraw/zinc/66/35/24/493663524.db2.gz RJPJJHRYCQEJIC-DOTOQJQBSA-N 2 2 362.474 0.070 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000671390472 493663529 /nfs/dbraw/zinc/66/35/29/493663529.db2.gz RJPJJHRYCQEJIC-DOTOQJQBSA-N 2 2 362.474 0.070 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000671390472 493663531 /nfs/dbraw/zinc/66/35/31/493663531.db2.gz RJPJJHRYCQEJIC-DOTOQJQBSA-N 2 2 362.474 0.070 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671395018 493664711 /nfs/dbraw/zinc/66/47/11/493664711.db2.gz RBOUGTHYZBMOBA-INIZCTEOSA-N 2 2 358.486 0.919 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671395018 493664713 /nfs/dbraw/zinc/66/47/13/493664713.db2.gz RBOUGTHYZBMOBA-INIZCTEOSA-N 2 2 358.486 0.919 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000679377991 493677207 /nfs/dbraw/zinc/67/72/07/493677207.db2.gz KYWGBRUGFLJPQP-UHFFFAOYSA-N 2 2 363.849 0.554 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000679377991 493677210 /nfs/dbraw/zinc/67/72/10/493677210.db2.gz KYWGBRUGFLJPQP-UHFFFAOYSA-N 2 2 363.849 0.554 20 0 FCADLP NC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000671507066 493678929 /nfs/dbraw/zinc/67/89/29/493678929.db2.gz IQEQSOJWJSCQAX-INIZCTEOSA-N 2 2 362.474 0.901 20 0 FCADLP NC(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000671507066 493678931 /nfs/dbraw/zinc/67/89/31/493678931.db2.gz IQEQSOJWJSCQAX-INIZCTEOSA-N 2 2 362.474 0.901 20 0 FCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000679422330 493679609 /nfs/dbraw/zinc/67/96/09/493679609.db2.gz QRMBLAVZHZZPAO-UHFFFAOYSA-N 2 2 359.430 0.791 20 0 FCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000679507012 493683837 /nfs/dbraw/zinc/68/38/37/493683837.db2.gz PKLXWGCLGOAWTL-UHFFFAOYSA-N 2 2 354.414 0.903 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000679505544 493683982 /nfs/dbraw/zinc/68/39/82/493683982.db2.gz GXPOCVFFYVNQSV-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000679505544 493683984 /nfs/dbraw/zinc/68/39/84/493683984.db2.gz GXPOCVFFYVNQSV-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679511107 493685869 /nfs/dbraw/zinc/68/58/69/493685869.db2.gz SRFXLXKAUDXBFW-UHFFFAOYSA-N 2 2 353.386 0.951 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960468 493718520 /nfs/dbraw/zinc/71/85/20/493718520.db2.gz WSBZCKAPXWKUOD-CRAIPNDOSA-N 2 2 374.485 0.374 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960468 493718521 /nfs/dbraw/zinc/71/85/21/493718521.db2.gz WSBZCKAPXWKUOD-CRAIPNDOSA-N 2 2 374.485 0.374 20 0 FCADLP CN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680508152 493720661 /nfs/dbraw/zinc/72/06/61/493720661.db2.gz LRGNGEMCOWSGNJ-AAEUAGOBSA-N 2 2 352.401 0.720 20 0 FCADLP CN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680508152 493720663 /nfs/dbraw/zinc/72/06/63/493720663.db2.gz LRGNGEMCOWSGNJ-AAEUAGOBSA-N 2 2 352.401 0.720 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000672013792 493725058 /nfs/dbraw/zinc/72/50/58/493725058.db2.gz GYGHAFZRDXUPSM-HNNXBMFYSA-N 2 2 359.474 0.577 20 0 FCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672030294 493726026 /nfs/dbraw/zinc/72/60/26/493726026.db2.gz XDHSTHFEQIDKAG-ZMSDIMECSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672030294 493726028 /nfs/dbraw/zinc/72/60/28/493726028.db2.gz XDHSTHFEQIDKAG-ZMSDIMECSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000680993212 493740343 /nfs/dbraw/zinc/74/03/43/493740343.db2.gz VQLMFLWEKZLDID-SJLPKXTDSA-N 2 2 363.502 0.968 20 0 FCADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000681113432 493745581 /nfs/dbraw/zinc/74/55/81/493745581.db2.gz UFYNBHFXMIIHGO-HNNXBMFYSA-N 2 2 362.474 0.697 20 0 FCADLP CN(C)C(=O)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211500 493751519 /nfs/dbraw/zinc/75/15/19/493751519.db2.gz KPBFETUSKJOXKZ-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP CN(C)C(=O)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211500 493751520 /nfs/dbraw/zinc/75/15/20/493751520.db2.gz KPBFETUSKJOXKZ-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672307004 493752712 /nfs/dbraw/zinc/75/27/12/493752712.db2.gz IMRNDLHZYKZRHX-SJLPKXTDSA-N 2 2 356.470 0.890 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672307004 493752713 /nfs/dbraw/zinc/75/27/13/493752713.db2.gz IMRNDLHZYKZRHX-SJLPKXTDSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672307004 493752715 /nfs/dbraw/zinc/75/27/15/493752715.db2.gz IMRNDLHZYKZRHX-SJLPKXTDSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672307004 493752716 /nfs/dbraw/zinc/75/27/16/493752716.db2.gz IMRNDLHZYKZRHX-SJLPKXTDSA-N 2 2 356.470 0.890 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000666125102 493758881 /nfs/dbraw/zinc/75/88/81/493758881.db2.gz RUFWUHOGZIPUSC-OAHLLOKOSA-N 2 2 350.467 0.821 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000666125102 493758883 /nfs/dbraw/zinc/75/88/83/493758883.db2.gz RUFWUHOGZIPUSC-OAHLLOKOSA-N 2 2 350.467 0.821 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935975182 674336308 /nfs/dbraw/zinc/33/63/08/674336308.db2.gz FZTNOYUJNQIGDG-TVFCKZIOSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CCCO1 ZINC000413490410 533935041 /nfs/dbraw/zinc/93/50/41/533935041.db2.gz WDLAUXYQCDUFOW-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CCCO1 ZINC000413490410 533935049 /nfs/dbraw/zinc/93/50/49/533935049.db2.gz WDLAUXYQCDUFOW-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000173785393 534146466 /nfs/dbraw/zinc/14/64/66/534146466.db2.gz GWJZKMCJJJCTMM-ZIAGYGMSSA-N 2 2 357.462 0.885 20 0 FCADLP C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410580007 534250956 /nfs/dbraw/zinc/25/09/56/534250956.db2.gz HGFAQMPRRGIVBO-CABCVRRESA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410580007 534250958 /nfs/dbraw/zinc/25/09/58/534250958.db2.gz HGFAQMPRRGIVBO-CABCVRRESA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000187334090 534309307 /nfs/dbraw/zinc/30/93/07/534309307.db2.gz SZJOLPOWCSPPKN-MRXNPFEDSA-N 2 2 369.554 0.499 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000187334090 534309308 /nfs/dbraw/zinc/30/93/08/534309308.db2.gz SZJOLPOWCSPPKN-MRXNPFEDSA-N 2 2 369.554 0.499 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238095004 534334857 /nfs/dbraw/zinc/33/48/57/534334857.db2.gz XMGCSQCVRMYWJL-IKGGRYGDSA-N 2 2 358.490 0.636 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000413070855 534467230 /nfs/dbraw/zinc/46/72/30/534467230.db2.gz IVGUPLNNNAALAR-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700088 527920347 /nfs/dbraw/zinc/92/03/47/527920347.db2.gz JDTBOVOZOCCFHY-VQHPVUNQSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700088 527920352 /nfs/dbraw/zinc/92/03/52/527920352.db2.gz JDTBOVOZOCCFHY-VQHPVUNQSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700088 527920356 /nfs/dbraw/zinc/92/03/56/527920356.db2.gz JDTBOVOZOCCFHY-VQHPVUNQSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700088 527920358 /nfs/dbraw/zinc/92/03/58/527920358.db2.gz JDTBOVOZOCCFHY-VQHPVUNQSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705054 527920676 /nfs/dbraw/zinc/92/06/76/527920676.db2.gz UFQACHRRSSEODQ-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705054 527920678 /nfs/dbraw/zinc/92/06/78/527920678.db2.gz UFQACHRRSSEODQ-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705054 527920680 /nfs/dbraw/zinc/92/06/80/527920680.db2.gz UFQACHRRSSEODQ-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705054 527920683 /nfs/dbraw/zinc/92/06/83/527920683.db2.gz UFQACHRRSSEODQ-JKSUJKDBSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000410714052 527957473 /nfs/dbraw/zinc/95/74/73/527957473.db2.gz LHSSQELIQXLKLD-KRWDZBQOSA-N 2 2 364.490 0.028 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410983256 527957986 /nfs/dbraw/zinc/95/79/86/527957986.db2.gz PPWGDRBTPQLYCO-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410983256 527957989 /nfs/dbraw/zinc/95/79/89/527957989.db2.gz PPWGDRBTPQLYCO-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410910435 528063350 /nfs/dbraw/zinc/06/33/50/528063350.db2.gz NWXGKNYAWJFZKZ-CALCHBBNSA-N 2 2 370.538 0.744 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410910435 528063355 /nfs/dbraw/zinc/06/33/55/528063355.db2.gz NWXGKNYAWJFZKZ-CALCHBBNSA-N 2 2 370.538 0.744 20 0 FCADLP CCCN1C[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1=O ZINC000412226136 528299151 /nfs/dbraw/zinc/29/91/51/528299151.db2.gz HOWZAWMFJJRDHI-JKSUJKDBSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1=O ZINC000412226136 528299156 /nfs/dbraw/zinc/29/91/56/528299156.db2.gz HOWZAWMFJJRDHI-JKSUJKDBSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000410800822 528444613 /nfs/dbraw/zinc/44/46/13/528444613.db2.gz JMPOXEJZCDDSKT-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000410886246 528886918 /nfs/dbraw/zinc/88/69/18/528886918.db2.gz FSEVUJGCMVTAMO-QGZVFWFLSA-N 2 2 370.538 0.743 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410499474 529112384 /nfs/dbraw/zinc/11/23/84/529112384.db2.gz SOROOBCKQGYSJC-CVEARBPZSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410499474 529112390 /nfs/dbraw/zinc/11/23/90/529112390.db2.gz SOROOBCKQGYSJC-CVEARBPZSA-N 2 2 374.489 0.310 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@@H+]1C[C@H](C)O ZINC000410515775 529352968 /nfs/dbraw/zinc/35/29/68/529352968.db2.gz CFWGVFBJPHEMEY-BBWFWOEESA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@H+]1C[C@H](C)O ZINC000410515775 529352970 /nfs/dbraw/zinc/35/29/70/529352970.db2.gz CFWGVFBJPHEMEY-BBWFWOEESA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC[NH+]1C[C@H](C)O ZINC000410515775 529352972 /nfs/dbraw/zinc/35/29/72/529352972.db2.gz CFWGVFBJPHEMEY-BBWFWOEESA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC[NH+]1C[C@H](C)O ZINC000410515775 529352975 /nfs/dbraw/zinc/35/29/75/529352975.db2.gz CFWGVFBJPHEMEY-BBWFWOEESA-N 2 2 368.522 0.089 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)C1CC[NH2+]CC1 ZINC000423704754 535186955 /nfs/dbraw/zinc/18/69/55/535186955.db2.gz NGQMGKOBSLIKBW-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419889589 535462449 /nfs/dbraw/zinc/46/24/49/535462449.db2.gz LGFOMEPDDRJNDN-UHFFFAOYSA-N 2 2 368.235 0.439 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000419884871 535606676 /nfs/dbraw/zinc/60/66/76/535606676.db2.gz YIAVOLJXNQOWRF-MSOLQXFVSA-N 2 2 374.485 0.421 20 0 FCADLP CCOCCNC(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697461 535612969 /nfs/dbraw/zinc/61/29/69/535612969.db2.gz XWZJRUJGLOEIMK-MRXNPFEDSA-N 2 2 363.506 1.000 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000423684362 535919917 /nfs/dbraw/zinc/91/99/17/535919917.db2.gz RKOMNQGVFAFGRY-GFCCVEGCSA-N 2 2 363.430 0.734 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423256517 536367437 /nfs/dbraw/zinc/36/74/37/536367437.db2.gz FLKRILVUVNHLKB-DOTOQJQBSA-N 2 2 374.485 0.721 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000423900563 536453960 /nfs/dbraw/zinc/45/39/60/536453960.db2.gz ROTSWYPSGIVBHE-CABCVRRESA-N 2 2 363.462 0.517 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000423900563 536453963 /nfs/dbraw/zinc/45/39/63/536453963.db2.gz ROTSWYPSGIVBHE-CABCVRRESA-N 2 2 363.462 0.517 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119829673 546510327 /nfs/dbraw/zinc/51/03/27/546510327.db2.gz JLCLQKFUFONBAJ-HNNXBMFYSA-N 2 2 353.467 0.164 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000530952412 546516193 /nfs/dbraw/zinc/51/61/93/546516193.db2.gz SGSXPGVJZSUGGM-CQSZACIVSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000530952412 546516195 /nfs/dbraw/zinc/51/61/95/546516195.db2.gz SGSXPGVJZSUGGM-CQSZACIVSA-N 2 2 351.495 0.594 20 0 FCADLP CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592474271 546651300 /nfs/dbraw/zinc/65/13/00/546651300.db2.gz PMWRQUVHLPYHCO-UHFFFAOYSA-N 2 2 356.448 0.551 20 0 FCADLP CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592474271 546651301 /nfs/dbraw/zinc/65/13/01/546651301.db2.gz PMWRQUVHLPYHCO-UHFFFAOYSA-N 2 2 356.448 0.551 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592557792 546654578 /nfs/dbraw/zinc/65/45/78/546654578.db2.gz JBPPSKWKGOFQNP-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151217862 546874983 /nfs/dbraw/zinc/87/49/83/546874983.db2.gz OVKLHPHLEYIBRF-NSHDSACASA-N 2 2 359.352 0.980 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000152644494 546920755 /nfs/dbraw/zinc/92/07/55/546920755.db2.gz ZEDIQESSVCKHBR-BRWVUGGUSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000152644494 546920758 /nfs/dbraw/zinc/92/07/58/546920758.db2.gz ZEDIQESSVCKHBR-BRWVUGGUSA-N 2 2 354.495 0.459 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000550689354 547096998 /nfs/dbraw/zinc/09/69/98/547096998.db2.gz PHXNJTWWTLOXMW-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000550689354 547097002 /nfs/dbraw/zinc/09/70/02/547097002.db2.gz PHXNJTWWTLOXMW-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000550691479 547098776 /nfs/dbraw/zinc/09/87/76/547098776.db2.gz HHSURVBSOHHCIH-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000550691479 547098781 /nfs/dbraw/zinc/09/87/81/547098781.db2.gz HHSURVBSOHHCIH-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000551267583 547137408 /nfs/dbraw/zinc/13/74/08/547137408.db2.gz DMUNVVPTGXTRHN-JKSUJKDBSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CC(=O)N(C)C3=O)CC2)C[C@@H](C)O1 ZINC000552586857 547218059 /nfs/dbraw/zinc/21/80/59/547218059.db2.gz PABWNESOXNKUEE-IIAWOOMASA-N 2 2 353.463 0.334 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553279141 547265941 /nfs/dbraw/zinc/26/59/41/547265941.db2.gz NRPUBGPPQGKCIE-JKSUJKDBSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553279141 547265947 /nfs/dbraw/zinc/26/59/47/547265947.db2.gz NRPUBGPPQGKCIE-JKSUJKDBSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000553599109 547293849 /nfs/dbraw/zinc/29/38/49/547293849.db2.gz KDLLVOKGVDRAJS-VYDXJSESSA-N 2 2 356.536 0.928 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000157771928 547342841 /nfs/dbraw/zinc/34/28/41/547342841.db2.gz PRXNFHITWQIUBA-MRXNPFEDSA-N 2 2 351.495 0.324 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000157771928 547342848 /nfs/dbraw/zinc/34/28/48/547342848.db2.gz PRXNFHITWQIUBA-MRXNPFEDSA-N 2 2 351.495 0.324 20 0 FCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000157772076 547342911 /nfs/dbraw/zinc/34/29/11/547342911.db2.gz PRXNFHITWQIUBA-INIZCTEOSA-N 2 2 351.495 0.324 20 0 FCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000157772076 547342917 /nfs/dbraw/zinc/34/29/17/547342917.db2.gz PRXNFHITWQIUBA-INIZCTEOSA-N 2 2 351.495 0.324 20 0 FCADLP CC1CC[NH+](CCCNC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000162738661 547390966 /nfs/dbraw/zinc/39/09/66/547390966.db2.gz DIGGBLYZEGFVPQ-UHFFFAOYSA-N 2 2 356.511 0.445 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000281204162 547397271 /nfs/dbraw/zinc/39/72/71/547397271.db2.gz NJEANXBHDQNKHI-HNNXBMFYSA-N 2 2 356.492 0.700 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000281204162 547397275 /nfs/dbraw/zinc/39/72/75/547397275.db2.gz NJEANXBHDQNKHI-HNNXBMFYSA-N 2 2 356.492 0.700 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000170741955 547400945 /nfs/dbraw/zinc/40/09/45/547400945.db2.gz YTXQNCWLQKFVQW-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000170741955 547400951 /nfs/dbraw/zinc/40/09/51/547400951.db2.gz YTXQNCWLQKFVQW-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP Cn1nnnc1SCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797267 547414557 /nfs/dbraw/zinc/41/45/57/547414557.db2.gz QTXPWESGPVNOFD-UHFFFAOYSA-N 2 2 367.523 0.367 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401815 598837536 /nfs/dbraw/zinc/83/75/36/598837536.db2.gz YMGDOVMMNJVWQZ-UONOGXRCSA-N 2 2 359.482 0.959 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401815 598837537 /nfs/dbraw/zinc/83/75/37/598837537.db2.gz YMGDOVMMNJVWQZ-UONOGXRCSA-N 2 2 359.482 0.959 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267948 598524617 /nfs/dbraw/zinc/52/46/17/598524617.db2.gz VEYSCJAUXPROLR-MGPQQGTHSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267948 598524618 /nfs/dbraw/zinc/52/46/18/598524618.db2.gz VEYSCJAUXPROLR-MGPQQGTHSA-N 2 2 359.482 0.815 20 0 FCADLP CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000956594943 674527217 /nfs/dbraw/zinc/52/72/17/674527217.db2.gz VWNAKYBUXXFZQY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000956594943 674527219 /nfs/dbraw/zinc/52/72/19/674527219.db2.gz VWNAKYBUXXFZQY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+]1CCC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000821621813 606285254 /nfs/dbraw/zinc/28/52/54/606285254.db2.gz HLHJEHZJSKGKNP-UHFFFAOYSA-N 2 2 372.477 0.875 20 0 FCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)O1 ZINC000820758928 606848870 /nfs/dbraw/zinc/84/88/70/606848870.db2.gz GAIFYRNHRHWFHS-CPUCHLNUSA-N 2 2 360.462 0.989 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022229279 663422536 /nfs/dbraw/zinc/42/25/36/663422536.db2.gz AQMWPZWNLLULKD-LXTVHRRPSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022229279 663422539 /nfs/dbraw/zinc/42/25/39/663422539.db2.gz AQMWPZWNLLULKD-LXTVHRRPSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022230675 663422814 /nfs/dbraw/zinc/42/28/14/663422814.db2.gz FQLDGMZHQWPFDV-ODXJTPSBSA-N 2 2 352.460 0.185 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022230675 663422815 /nfs/dbraw/zinc/42/28/15/663422815.db2.gz FQLDGMZHQWPFDV-ODXJTPSBSA-N 2 2 352.460 0.185 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001022275035 663428823 /nfs/dbraw/zinc/42/88/23/663428823.db2.gz HDHGCWYDCPTUOB-XGFWRYKXSA-N 2 2 350.467 0.384 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001022275035 663428826 /nfs/dbraw/zinc/42/88/26/663428826.db2.gz HDHGCWYDCPTUOB-XGFWRYKXSA-N 2 2 350.467 0.384 20 0 FCADLP COC1CCC(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000891700497 663429526 /nfs/dbraw/zinc/42/95/26/663429526.db2.gz YWSOLTGIAOPQEF-UHFFFAOYSA-N 2 2 374.551 0.301 20 0 FCADLP C[N@H+](CC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971997181 663471549 /nfs/dbraw/zinc/47/15/49/663471549.db2.gz JKYUXYQREREZBK-KURKYZTESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971997181 663471550 /nfs/dbraw/zinc/47/15/50/663471550.db2.gz JKYUXYQREREZBK-KURKYZTESA-N 2 2 351.491 0.809 20 0 FCADLP COCC[NH2+]CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892050260 663471759 /nfs/dbraw/zinc/47/17/59/663471759.db2.gz BNKIGAMIOOZVNF-UHFFFAOYSA-N 2 2 353.492 0.670 20 0 FCADLP [NH3+]CCCOCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892296242 663523991 /nfs/dbraw/zinc/52/39/91/663523991.db2.gz QIHATCWLQPZNSY-UHFFFAOYSA-N 2 2 353.492 0.799 20 0 FCADLP C[C@@]1(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCC[NH2+]C1 ZINC000904335809 665987179 /nfs/dbraw/zinc/98/71/79/665987179.db2.gz CIVZQFIKUAGBAH-QGZVFWFLSA-N 2 2 352.504 0.846 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ncnn2C)O1 ZINC001024998840 664034181 /nfs/dbraw/zinc/03/41/81/664034181.db2.gz LOQSYNCLUNPPTC-RBSFLKMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ncnn2C)O1 ZINC001024998840 664034185 /nfs/dbraw/zinc/03/41/85/664034185.db2.gz LOQSYNCLUNPPTC-RBSFLKMASA-N 2 2 350.467 0.005 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760345 664138325 /nfs/dbraw/zinc/13/83/25/664138325.db2.gz SPQPWTWODZVREA-OWCLPIDISA-N 2 2 352.479 0.308 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760345 664138327 /nfs/dbraw/zinc/13/83/27/664138327.db2.gz SPQPWTWODZVREA-OWCLPIDISA-N 2 2 352.479 0.308 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880095 664153066 /nfs/dbraw/zinc/15/30/66/664153066.db2.gz ZPJPJSRCCJKNAT-UHFFFAOYSA-N 2 2 368.551 0.895 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(=O)O1 ZINC000893267999 664225001 /nfs/dbraw/zinc/22/50/01/664225001.db2.gz QGDCGKCEUMVYLA-LSDHHAIUSA-N 2 2 352.479 0.940 20 0 FCADLP Cc1noc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001026514388 664239477 /nfs/dbraw/zinc/23/94/77/664239477.db2.gz CEFDMKZOWQJYGD-GALLPEHLSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1noc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001026514388 664239480 /nfs/dbraw/zinc/23/94/80/664239480.db2.gz CEFDMKZOWQJYGD-GALLPEHLSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966567 664479650 /nfs/dbraw/zinc/47/96/50/664479650.db2.gz QZUCDAFMIWSDEZ-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966567 664479652 /nfs/dbraw/zinc/47/96/52/664479652.db2.gz QZUCDAFMIWSDEZ-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966567 664479654 /nfs/dbraw/zinc/47/96/54/664479654.db2.gz QZUCDAFMIWSDEZ-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966567 664479655 /nfs/dbraw/zinc/47/96/55/664479655.db2.gz QZUCDAFMIWSDEZ-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981194222 664817293 /nfs/dbraw/zinc/81/72/93/664817293.db2.gz NMEULHCEFNIVJV-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981194222 664817294 /nfs/dbraw/zinc/81/72/94/664817294.db2.gz NMEULHCEFNIVJV-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194222 664817295 /nfs/dbraw/zinc/81/72/95/664817295.db2.gz NMEULHCEFNIVJV-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194222 664817296 /nfs/dbraw/zinc/81/72/96/664817296.db2.gz NMEULHCEFNIVJV-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CC1(C)COC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000894183609 664911947 /nfs/dbraw/zinc/91/19/47/664911947.db2.gz ZPVJPYRLPQTEER-OAHLLOKOSA-N 2 2 368.503 0.548 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028628777 664930862 /nfs/dbraw/zinc/93/08/62/664930862.db2.gz ZCRQVUZXOROLAD-HZSPNIEDSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028628777 664930864 /nfs/dbraw/zinc/93/08/64/664930864.db2.gz ZCRQVUZXOROLAD-HZSPNIEDSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028628777 664930866 /nfs/dbraw/zinc/93/08/66/664930866.db2.gz ZCRQVUZXOROLAD-HZSPNIEDSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028628777 664930867 /nfs/dbraw/zinc/93/08/67/664930867.db2.gz ZCRQVUZXOROLAD-HZSPNIEDSA-N 2 2 367.519 0.758 20 0 FCADLP Cc1nc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984013165 665013633 /nfs/dbraw/zinc/01/36/33/665013633.db2.gz HXTJHCQQNVZCEY-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984013165 665013636 /nfs/dbraw/zinc/01/36/36/665013636.db2.gz HXTJHCQQNVZCEY-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000895486531 665046266 /nfs/dbraw/zinc/04/62/66/665046266.db2.gz FJGBNHPYQYKRKE-DZGCQCFKSA-N 2 2 366.487 0.750 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000895486531 665046268 /nfs/dbraw/zinc/04/62/68/665046268.db2.gz FJGBNHPYQYKRKE-DZGCQCFKSA-N 2 2 366.487 0.750 20 0 FCADLP CC(C)(CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000895552473 665049855 /nfs/dbraw/zinc/04/98/55/665049855.db2.gz XORVSADYNGRPEX-UHFFFAOYSA-N 2 2 352.523 0.903 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569002 665094484 /nfs/dbraw/zinc/09/44/84/665094484.db2.gz RBNYEWYEUSQIIM-ILOCAZANSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569002 665094485 /nfs/dbraw/zinc/09/44/85/665094485.db2.gz RBNYEWYEUSQIIM-ILOCAZANSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569002 665094488 /nfs/dbraw/zinc/09/44/88/665094488.db2.gz RBNYEWYEUSQIIM-ILOCAZANSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569002 665094490 /nfs/dbraw/zinc/09/44/90/665094490.db2.gz RBNYEWYEUSQIIM-ILOCAZANSA-N 2 2 354.539 0.871 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896634253 665101593 /nfs/dbraw/zinc/10/15/93/665101593.db2.gz WRIUTHYWODKPJH-IXDOHACOSA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000896634253 665101594 /nfs/dbraw/zinc/10/15/94/665101594.db2.gz WRIUTHYWODKPJH-IXDOHACOSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897465999 665289996 /nfs/dbraw/zinc/28/99/96/665289996.db2.gz MENUZPHZRRFCSZ-CRAIPNDOSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897465999 665289997 /nfs/dbraw/zinc/28/99/97/665289997.db2.gz MENUZPHZRRFCSZ-CRAIPNDOSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@@H]1CC[NH+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000897465999 665289998 /nfs/dbraw/zinc/28/99/98/665289998.db2.gz MENUZPHZRRFCSZ-CRAIPNDOSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@@H]1CC[NH+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000897465999 665289999 /nfs/dbraw/zinc/28/99/99/665289999.db2.gz MENUZPHZRRFCSZ-CRAIPNDOSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515667 665298577 /nfs/dbraw/zinc/29/85/77/665298577.db2.gz XYOXWWIXHMCQOB-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515667 665298578 /nfs/dbraw/zinc/29/85/78/665298578.db2.gz XYOXWWIXHMCQOB-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000897515667 665298579 /nfs/dbraw/zinc/29/85/79/665298579.db2.gz XYOXWWIXHMCQOB-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000897515667 665298580 /nfs/dbraw/zinc/29/85/80/665298580.db2.gz XYOXWWIXHMCQOB-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000908146312 666186883 /nfs/dbraw/zinc/18/68/83/666186883.db2.gz SJQVMLQSCRURAB-MSOLQXFVSA-N 2 2 352.523 0.724 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121273 666186900 /nfs/dbraw/zinc/18/69/00/666186900.db2.gz YTNGMTSLZOUVRE-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121273 666186902 /nfs/dbraw/zinc/18/69/02/666186902.db2.gz YTNGMTSLZOUVRE-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000911065432 666309092 /nfs/dbraw/zinc/30/90/92/666309092.db2.gz CEEAFNGPJBOSRY-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000175491258 666460359 /nfs/dbraw/zinc/46/03/59/666460359.db2.gz UBJNRMDACUZQIS-UHFFFAOYSA-N 2 2 362.540 0.527 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000175491258 666460362 /nfs/dbraw/zinc/46/03/62/666460362.db2.gz UBJNRMDACUZQIS-UHFFFAOYSA-N 2 2 362.540 0.527 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069469185 666514066 /nfs/dbraw/zinc/51/40/66/666514066.db2.gz ABHFPVVKJJZTRF-HNNXBMFYSA-N 2 2 360.524 0.231 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000168555743 666579051 /nfs/dbraw/zinc/57/90/51/666579051.db2.gz IOBVNCCDIYUTHW-HOTGVXAUSA-N 2 2 359.536 0.909 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447887588 666825413 /nfs/dbraw/zinc/82/54/13/666825413.db2.gz DZCABHMENNEOIZ-BRSBDYLESA-N 2 2 351.491 0.950 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447887588 666825417 /nfs/dbraw/zinc/82/54/17/666825417.db2.gz DZCABHMENNEOIZ-BRSBDYLESA-N 2 2 351.491 0.950 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3nn(C)cc3Cl)CC2)O1 ZINC000996717200 666967971 /nfs/dbraw/zinc/96/79/71/666967971.db2.gz KECDTLMGCULBIK-MLGOLLRUSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3nn(C)cc3Cl)CC2)O1 ZINC000996717200 666967972 /nfs/dbraw/zinc/96/79/72/666967972.db2.gz KECDTLMGCULBIK-MLGOLLRUSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000917006393 667044287 /nfs/dbraw/zinc/04/42/87/667044287.db2.gz BUCSANAOTXMFLR-YQQAZPJKSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000917006393 667044289 /nfs/dbraw/zinc/04/42/89/667044289.db2.gz BUCSANAOTXMFLR-YQQAZPJKSA-N 2 2 354.495 0.648 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906326 667140470 /nfs/dbraw/zinc/14/04/70/667140470.db2.gz MZSJTZIJEYKWHL-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906326 667140473 /nfs/dbraw/zinc/14/04/73/667140473.db2.gz MZSJTZIJEYKWHL-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1NC(=O)[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000918914477 667141101 /nfs/dbraw/zinc/14/11/01/667141101.db2.gz TTZMHXUAGBAUEB-ZQDZILKHSA-N 2 2 351.495 0.462 20 0 FCADLP C[C@@H]1NC(=O)[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000918914477 667141105 /nfs/dbraw/zinc/14/11/05/667141105.db2.gz TTZMHXUAGBAUEB-ZQDZILKHSA-N 2 2 351.495 0.462 20 0 FCADLP CN(C)S(=O)(=O)c1cnn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755780059 667648135 /nfs/dbraw/zinc/64/81/35/667648135.db2.gz LLQHSUORYADSSF-HNNXBMFYSA-N 2 2 355.508 0.755 20 0 FCADLP CN(C)S(=O)(=O)c1cnn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755780059 667648140 /nfs/dbraw/zinc/64/81/40/667648140.db2.gz LLQHSUORYADSSF-HNNXBMFYSA-N 2 2 355.508 0.755 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001033186702 667713656 /nfs/dbraw/zinc/71/36/56/667713656.db2.gz YKUFHIPEWOBNTM-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001033186702 667713660 /nfs/dbraw/zinc/71/36/60/667713660.db2.gz YKUFHIPEWOBNTM-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)O1 ZINC001033186702 667713662 /nfs/dbraw/zinc/71/36/62/667713662.db2.gz YKUFHIPEWOBNTM-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)O1 ZINC001033186702 667713665 /nfs/dbraw/zinc/71/36/65/667713665.db2.gz YKUFHIPEWOBNTM-XOKHGSTOSA-N 2 2 350.438 0.973 20 0 FCADLP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001034674600 667763814 /nfs/dbraw/zinc/76/38/14/667763814.db2.gz KLINRVJFWQVBGL-XKVFNRALSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001034674600 667763815 /nfs/dbraw/zinc/76/38/15/667763815.db2.gz KLINRVJFWQVBGL-XKVFNRALSA-N 2 2 351.451 0.614 20 0 FCADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001034697682 667765285 /nfs/dbraw/zinc/76/52/85/667765285.db2.gz SDWMNTBHMQIFNA-VQHPVUNQSA-N 2 2 357.470 0.853 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nn(C)cc2Cl)O1 ZINC001034975895 667772843 /nfs/dbraw/zinc/77/28/43/667772843.db2.gz ZBTYHIPZRSYVNV-XJKCOSOUSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nn(C)cc2Cl)O1 ZINC001034975895 667772848 /nfs/dbraw/zinc/77/28/48/667772848.db2.gz ZBTYHIPZRSYVNV-XJKCOSOUSA-N 2 2 369.897 0.873 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@H+](C)CC(F)F)CC2)CC1=O ZINC000074128992 667800753 /nfs/dbraw/zinc/80/07/53/667800753.db2.gz MASGGSXXJBICFX-ZDUSSCGKSA-N 2 2 360.449 0.584 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CC1=O ZINC000074128992 667800759 /nfs/dbraw/zinc/80/07/59/667800759.db2.gz MASGGSXXJBICFX-ZDUSSCGKSA-N 2 2 360.449 0.584 20 0 FCADLP CCc1noc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961987762 674852803 /nfs/dbraw/zinc/85/28/03/674852803.db2.gz DPTSEMWXHNPWOK-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1noc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961987762 674852806 /nfs/dbraw/zinc/85/28/06/674852806.db2.gz DPTSEMWXHNPWOK-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000838685940 667947284 /nfs/dbraw/zinc/94/72/84/667947284.db2.gz YZPWHKQXYHTVMQ-KBPBESRZSA-N 2 2 357.499 0.787 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000838685940 667947286 /nfs/dbraw/zinc/94/72/86/667947286.db2.gz YZPWHKQXYHTVMQ-KBPBESRZSA-N 2 2 357.499 0.787 20 0 FCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466374 667984300 /nfs/dbraw/zinc/98/43/00/667984300.db2.gz KABSPNVWGRVTCR-DLBZAZTESA-N 2 2 361.552 0.396 20 0 FCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466374 667984302 /nfs/dbraw/zinc/98/43/02/667984302.db2.gz KABSPNVWGRVTCR-DLBZAZTESA-N 2 2 361.552 0.396 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000765699794 668012470 /nfs/dbraw/zinc/01/24/70/668012470.db2.gz YMKSPRRRROQDIS-GJZGRUSLSA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000765699794 668012473 /nfs/dbraw/zinc/01/24/73/668012473.db2.gz YMKSPRRRROQDIS-GJZGRUSLSA-N 2 2 374.551 0.620 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000778214088 668355863 /nfs/dbraw/zinc/35/58/63/668355863.db2.gz AFNLZKBLAQJGGE-OAHLLOKOSA-N 2 2 351.447 0.462 20 0 FCADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000779035303 668404261 /nfs/dbraw/zinc/40/42/61/668404261.db2.gz DSXICSDBHUAQQB-GJZGRUSLSA-N 2 2 354.495 0.996 20 0 FCADLP CNC(=O)CC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365856 668875305 /nfs/dbraw/zinc/87/53/05/668875305.db2.gz IAXLSRRUVYNVPT-GOSISDBHSA-N 2 2 350.463 0.709 20 0 FCADLP CNC(=O)CC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365859 668875353 /nfs/dbraw/zinc/87/53/53/668875353.db2.gz IAXLSRRUVYNVPT-SFHVURJKSA-N 2 2 350.463 0.709 20 0 FCADLP CC(C)OC[C@@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771720 668995509 /nfs/dbraw/zinc/99/55/09/668995509.db2.gz BGMFYRAVSFCDNT-HZPDHXFCSA-N 2 2 352.479 0.843 20 0 FCADLP CC(C)OC[C@@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771720 668995513 /nfs/dbraw/zinc/99/55/13/668995513.db2.gz BGMFYRAVSFCDNT-HZPDHXFCSA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000820739197 669120427 /nfs/dbraw/zinc/12/04/27/669120427.db2.gz HJZJQSJKLDCTPZ-CQSZACIVSA-N 2 2 354.495 0.996 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000820739197 669120432 /nfs/dbraw/zinc/12/04/32/669120432.db2.gz HJZJQSJKLDCTPZ-CQSZACIVSA-N 2 2 354.495 0.996 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369066 669387378 /nfs/dbraw/zinc/38/73/78/669387378.db2.gz VGJGIVXAWINWLP-TVFCKZIOSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824369066 669387382 /nfs/dbraw/zinc/38/73/82/669387382.db2.gz VGJGIVXAWINWLP-TVFCKZIOSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(F)(F)CC3)C2)CC1 ZINC000806210481 669399337 /nfs/dbraw/zinc/39/93/37/669399337.db2.gz RJNYLXYJJSLHID-CYBMUJFWSA-N 2 2 358.433 0.529 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(F)(F)CC3)C2)CC1 ZINC000806210481 669399340 /nfs/dbraw/zinc/39/93/40/669399340.db2.gz RJNYLXYJJSLHID-CYBMUJFWSA-N 2 2 358.433 0.529 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000806777866 669444967 /nfs/dbraw/zinc/44/49/67/669444967.db2.gz RGEGPHBUJRWFRM-INIZCTEOSA-N 2 2 374.551 0.669 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000806777866 669444972 /nfs/dbraw/zinc/44/49/72/669444972.db2.gz RGEGPHBUJRWFRM-INIZCTEOSA-N 2 2 374.551 0.669 20 0 FCADLP COC(=O)N1CCC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000827526197 669575765 /nfs/dbraw/zinc/57/57/65/669575765.db2.gz JEUKEGHCHFKSFF-UHFFFAOYSA-N 2 2 354.495 0.949 20 0 FCADLP COC(=O)N1CCC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000827526197 669575768 /nfs/dbraw/zinc/57/57/68/669575768.db2.gz JEUKEGHCHFKSFF-UHFFFAOYSA-N 2 2 354.495 0.949 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000831127632 669829812 /nfs/dbraw/zinc/82/98/12/669829812.db2.gz VSMLVYJBZJJTMK-UHFFFAOYSA-N 2 2 368.503 0.454 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=S)NCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000818268951 670090202 /nfs/dbraw/zinc/09/02/02/670090202.db2.gz URLWLPYUFDYLPK-HZPDHXFCSA-N 2 2 358.552 0.672 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000844178458 670905890 /nfs/dbraw/zinc/90/58/90/670905890.db2.gz WFQDHPTYNFLMRI-UHFFFAOYSA-N 2 2 362.455 0.655 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957563 671161926 /nfs/dbraw/zinc/16/19/26/671161926.db2.gz LLCUIYYGWJGFNH-RDBSUJKOSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957563 671161929 /nfs/dbraw/zinc/16/19/29/671161929.db2.gz LLCUIYYGWJGFNH-RDBSUJKOSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957563 671161933 /nfs/dbraw/zinc/16/19/33/671161933.db2.gz LLCUIYYGWJGFNH-RDBSUJKOSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957563 671161938 /nfs/dbraw/zinc/16/19/38/671161938.db2.gz LLCUIYYGWJGFNH-RDBSUJKOSA-N 2 2 367.412 0.268 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnns4)C[C@@H]3C2)O1 ZINC001048891315 675906289 /nfs/dbraw/zinc/90/62/89/675906289.db2.gz NRJYPQDTRPNTKB-GUIRCDHDSA-N 2 2 351.476 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnns4)C[C@@H]3C2)O1 ZINC001048891315 675906292 /nfs/dbraw/zinc/90/62/92/675906292.db2.gz NRJYPQDTRPNTKB-GUIRCDHDSA-N 2 2 351.476 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnns4)C[C@@H]3C2)O1 ZINC001048891315 675906293 /nfs/dbraw/zinc/90/62/93/675906293.db2.gz NRJYPQDTRPNTKB-GUIRCDHDSA-N 2 2 351.476 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnns4)C[C@@H]3C2)O1 ZINC001048891315 675906296 /nfs/dbraw/zinc/90/62/96/675906296.db2.gz NRJYPQDTRPNTKB-GUIRCDHDSA-N 2 2 351.476 0.147 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736770 675965412 /nfs/dbraw/zinc/96/54/12/675965412.db2.gz MIQDYDPVWGQNGQ-QGZVFWFLSA-N 3 2 350.507 0.385 20 0 FCADLP CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000903938014 675984049 /nfs/dbraw/zinc/98/40/49/675984049.db2.gz XLQVNQAYUZPJFH-QGZVFWFLSA-N 2 2 352.504 0.716 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000866743899 672295561 /nfs/dbraw/zinc/29/55/61/672295561.db2.gz DZIPEHOEFITIOI-UCJZHXCISA-N 2 2 351.491 0.759 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000875215815 672850968 /nfs/dbraw/zinc/85/09/68/672850968.db2.gz NENWAZRZUDGYCO-KRWDZBQOSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000875215815 672850972 /nfs/dbraw/zinc/85/09/72/672850972.db2.gz NENWAZRZUDGYCO-KRWDZBQOSA-N 2 2 356.511 0.897 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877008544 672993124 /nfs/dbraw/zinc/99/31/24/672993124.db2.gz MPVDKMKHHWWMBX-UHFFFAOYSA-N 2 2 368.503 0.366 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878050619 673038105 /nfs/dbraw/zinc/03/81/05/673038105.db2.gz ZDEIEYFRSCSGNI-KRWDZBQOSA-N 2 2 353.507 0.673 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625293 676107168 /nfs/dbraw/zinc/10/71/68/676107168.db2.gz YOJMDMHSEJCKHP-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625293 676107170 /nfs/dbraw/zinc/10/71/70/676107170.db2.gz YOJMDMHSEJCKHP-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CN(C(=O)CN1CCCCS1(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167848 673102369 /nfs/dbraw/zinc/10/23/69/673102369.db2.gz XPTGAZVIXSLDHK-MRXNPFEDSA-N 2 2 372.535 0.039 20 0 FCADLP CN(C(=O)CN1CCCCS1(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167848 673102372 /nfs/dbraw/zinc/10/23/72/673102372.db2.gz XPTGAZVIXSLDHK-MRXNPFEDSA-N 2 2 372.535 0.039 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248570 673107230 /nfs/dbraw/zinc/10/72/30/673107230.db2.gz PPQGMWDSWSWOEC-LSDHHAIUSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592236 673129413 /nfs/dbraw/zinc/12/94/13/673129413.db2.gz IGUYLMJRXPQMGR-CQSZACIVSA-N 2 2 353.511 0.711 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cncs2)C1 ZINC001051834882 676112068 /nfs/dbraw/zinc/11/20/68/676112068.db2.gz ZKLVBFBJRZEFHY-BPLDGKMQSA-N 2 2 361.471 0.997 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CCOC)CC3)C2)CC[N@@H+]1C ZINC001052030999 676112987 /nfs/dbraw/zinc/11/29/87/676112987.db2.gz AWLLSNLUDYSKIJ-OKZBNKHCSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CCOC)CC3)C2)CC[N@H+]1C ZINC001052030999 676112990 /nfs/dbraw/zinc/11/29/90/676112990.db2.gz AWLLSNLUDYSKIJ-OKZBNKHCSA-N 2 2 352.523 0.582 20 0 FCADLP COC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCOC1 ZINC000883371528 673372131 /nfs/dbraw/zinc/37/21/31/673372131.db2.gz OBRXIYFXVHLXHD-OTWHNJEPSA-N 2 2 355.523 0.814 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000884684749 673472446 /nfs/dbraw/zinc/47/24/46/673472446.db2.gz OLUHVOFASFTMMJ-CZUORRHYSA-N 2 2 350.438 0.884 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000884727415 673478197 /nfs/dbraw/zinc/47/81/97/673478197.db2.gz SKDYECUHFDUSFC-QWHCGFSZSA-N 2 2 358.364 0.910 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774224 673480825 /nfs/dbraw/zinc/48/08/25/673480825.db2.gz HOMLXDOCRODQFK-CAOSSQGBSA-N 2 2 354.495 0.330 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774224 673480826 /nfs/dbraw/zinc/48/08/26/673480826.db2.gz HOMLXDOCRODQFK-CAOSSQGBSA-N 2 2 354.495 0.330 20 0 FCADLP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000884774933 673481204 /nfs/dbraw/zinc/48/12/04/673481204.db2.gz VDGUORRWGALRCO-KFWWJZLASA-N 2 2 354.495 0.330 20 0 FCADLP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000884774933 673481206 /nfs/dbraw/zinc/48/12/06/673481206.db2.gz VDGUORRWGALRCO-KFWWJZLASA-N 2 2 354.495 0.330 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000925532130 673793472 /nfs/dbraw/zinc/79/34/72/673793472.db2.gz CXGOVMXXPPFIQI-INIZCTEOSA-N 2 2 353.488 0.726 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000925602716 673796377 /nfs/dbraw/zinc/79/63/77/673796377.db2.gz XEBYKHZRAFANME-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3C3CCOCC3)C[C@@H]21 ZINC000927637119 673873717 /nfs/dbraw/zinc/87/37/17/673873717.db2.gz NLZXJIOKLMSWPQ-YESZJQIVSA-N 2 2 352.479 0.354 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3C3CCOCC3)C[C@@H]21 ZINC000927637119 673873720 /nfs/dbraw/zinc/87/37/20/673873720.db2.gz NLZXJIOKLMSWPQ-YESZJQIVSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC000927637119 673873723 /nfs/dbraw/zinc/87/37/23/673873723.db2.gz NLZXJIOKLMSWPQ-YESZJQIVSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC000927637119 673873727 /nfs/dbraw/zinc/87/37/27/673873727.db2.gz NLZXJIOKLMSWPQ-YESZJQIVSA-N 2 2 352.479 0.354 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)N(C)C)O1 ZINC000968913120 675249537 /nfs/dbraw/zinc/24/95/37/675249537.db2.gz BPJRKVSNWXVKOX-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC(=O)N(C)C)O1 ZINC000968913120 675249542 /nfs/dbraw/zinc/24/95/42/675249542.db2.gz BPJRKVSNWXVKOX-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071804 675268416 /nfs/dbraw/zinc/26/84/16/675268416.db2.gz HEBAVRHZRSLPKO-UXIGCNINSA-N 2 2 369.897 0.792 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071804 675268417 /nfs/dbraw/zinc/26/84/17/675268417.db2.gz HEBAVRHZRSLPKO-UXIGCNINSA-N 2 2 369.897 0.792 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014920347 675393129 /nfs/dbraw/zinc/39/31/29/675393129.db2.gz NCKCCVWVVIVMDW-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014920347 675393133 /nfs/dbraw/zinc/39/31/33/675393133.db2.gz NCKCCVWVVIVMDW-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014920347 675393137 /nfs/dbraw/zinc/39/31/37/675393137.db2.gz NCKCCVWVVIVMDW-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014920347 675393142 /nfs/dbraw/zinc/39/31/42/675393142.db2.gz NCKCCVWVVIVMDW-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP CC(C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001017758498 675415322 /nfs/dbraw/zinc/41/53/22/675415322.db2.gz ZCNLWHXLJAGGQZ-XDNAFOTISA-N 2 2 351.491 0.950 20 0 FCADLP CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001017758498 675415324 /nfs/dbraw/zinc/41/53/24/675415324.db2.gz ZCNLWHXLJAGGQZ-XDNAFOTISA-N 2 2 351.491 0.950 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001019032114 675420169 /nfs/dbraw/zinc/42/01/69/675420169.db2.gz GMUNVJFIJYFTBJ-IVMMDQJWSA-N 2 2 350.467 0.016 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001019032114 675420171 /nfs/dbraw/zinc/42/01/71/675420171.db2.gz GMUNVJFIJYFTBJ-IVMMDQJWSA-N 2 2 350.467 0.016 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606985 675699346 /nfs/dbraw/zinc/69/93/46/675699346.db2.gz WVHLMIIRRPYJOX-CVEARBPZSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606985 675699350 /nfs/dbraw/zinc/69/93/50/675699350.db2.gz WVHLMIIRRPYJOX-CVEARBPZSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCOC)C2)C1 ZINC000900606985 675699352 /nfs/dbraw/zinc/69/93/52/675699352.db2.gz WVHLMIIRRPYJOX-CVEARBPZSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000900606985 675699356 /nfs/dbraw/zinc/69/93/56/675699356.db2.gz WVHLMIIRRPYJOX-CVEARBPZSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000900784254 675716042 /nfs/dbraw/zinc/71/60/42/675716042.db2.gz SNYVTMHXJMFSFH-HZPDHXFCSA-N 2 2 355.479 0.346 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000900784254 675716044 /nfs/dbraw/zinc/71/60/44/675716044.db2.gz SNYVTMHXJMFSFH-HZPDHXFCSA-N 2 2 355.479 0.346 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000901225677 675772993 /nfs/dbraw/zinc/77/29/93/675772993.db2.gz AWXCSZXRQLWFRD-UHFFFAOYSA-N 2 2 354.539 0.708 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC001075906442 1192180553 /nfs/dbraw/zinc/18/05/53/1192180553.db2.gz KPUVQOAVTNPZFY-SOUVJXGZSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC001075906442 1192180588 /nfs/dbraw/zinc/18/05/88/1192180588.db2.gz KPUVQOAVTNPZFY-SOUVJXGZSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)nc1=O ZINC001075906442 1192180623 /nfs/dbraw/zinc/18/06/23/1192180623.db2.gz KPUVQOAVTNPZFY-SOUVJXGZSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCN(C(=O)CC[C@@H]4CCC[N@H+]4C)[C@@H]3C2)nc1=O ZINC001075906442 1192180636 /nfs/dbraw/zinc/18/06/36/1192180636.db2.gz KPUVQOAVTNPZFY-SOUVJXGZSA-N 2 2 362.478 0.016 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000988496425 1192226499 /nfs/dbraw/zinc/22/64/99/1192226499.db2.gz ISWQUMBELFBAQV-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCCc2ccccc2)CC[N@@H+]1C ZINC001266276895 1167824929 /nfs/dbraw/zinc/82/49/29/1167824929.db2.gz FQUPTQZVGRDCFZ-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCCc2ccccc2)CC[N@H+]1C ZINC001266276895 1167824932 /nfs/dbraw/zinc/82/49/32/1167824932.db2.gz FQUPTQZVGRDCFZ-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)NCCc2ccccc2)CC[NH+]1C ZINC001266276895 1167824935 /nfs/dbraw/zinc/82/49/35/1167824935.db2.gz FQUPTQZVGRDCFZ-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCCc2ccccc2)CC[NH+]1C ZINC001266276895 1167824939 /nfs/dbraw/zinc/82/49/39/1167824939.db2.gz FQUPTQZVGRDCFZ-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC001020603459 1168147099 /nfs/dbraw/zinc/14/70/99/1168147099.db2.gz ABFDBPWIFMREPD-AAVRWANBSA-N 2 2 357.462 0.652 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192504 1168156295 /nfs/dbraw/zinc/15/62/95/1168156295.db2.gz DPNBMQJBJGIOIW-FHLIZLRMSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192504 1168156299 /nfs/dbraw/zinc/15/62/99/1168156299.db2.gz DPNBMQJBJGIOIW-FHLIZLRMSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192504 1168156302 /nfs/dbraw/zinc/15/63/02/1168156302.db2.gz DPNBMQJBJGIOIW-FHLIZLRMSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192504 1168156305 /nfs/dbraw/zinc/15/63/05/1168156305.db2.gz DPNBMQJBJGIOIW-FHLIZLRMSA-N 2 2 361.490 0.482 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000078728918 1168308189 /nfs/dbraw/zinc/30/81/89/1168308189.db2.gz ICAVPCOHKCRGAF-HNNXBMFYSA-N 2 2 370.457 0.778 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001272091327 1192301611 /nfs/dbraw/zinc/30/16/11/1192301611.db2.gz URGXRLMYLMFBAP-QGZVFWFLSA-N 2 2 359.474 0.934 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001272091327 1192301617 /nfs/dbraw/zinc/30/16/17/1192301617.db2.gz URGXRLMYLMFBAP-QGZVFWFLSA-N 2 2 359.474 0.934 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001272091327 1192301624 /nfs/dbraw/zinc/30/16/24/1192301624.db2.gz URGXRLMYLMFBAP-QGZVFWFLSA-N 2 2 359.474 0.934 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001272091327 1192301629 /nfs/dbraw/zinc/30/16/29/1192301629.db2.gz URGXRLMYLMFBAP-QGZVFWFLSA-N 2 2 359.474 0.934 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1nccs1 ZINC001691020143 1168406686 /nfs/dbraw/zinc/40/66/86/1168406686.db2.gz ORXNKDBWQYGULC-CHWSQXEVSA-N 2 2 353.492 0.860 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1nccs1 ZINC001691020143 1168406689 /nfs/dbraw/zinc/40/66/89/1168406689.db2.gz ORXNKDBWQYGULC-CHWSQXEVSA-N 2 2 353.492 0.860 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1nccs1 ZINC001691020143 1168406693 /nfs/dbraw/zinc/40/66/93/1168406693.db2.gz ORXNKDBWQYGULC-CHWSQXEVSA-N 2 2 353.492 0.860 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1nccs1 ZINC001691020143 1168406697 /nfs/dbraw/zinc/40/66/97/1168406697.db2.gz ORXNKDBWQYGULC-CHWSQXEVSA-N 2 2 353.492 0.860 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnnn2C)CC1 ZINC001167270859 1168481290 /nfs/dbraw/zinc/48/12/90/1168481290.db2.gz BYXRHCAZEASYDG-CHWSQXEVSA-N 2 2 358.450 0.123 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001021381098 1169186008 /nfs/dbraw/zinc/18/60/08/1169186008.db2.gz AFXACGYJHKAHHL-SLUKUZTOSA-N 2 2 369.473 0.927 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001021381098 1169186019 /nfs/dbraw/zinc/18/60/19/1169186019.db2.gz AFXACGYJHKAHHL-SLUKUZTOSA-N 2 2 369.473 0.927 20 0 FCADLP 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C[C@@H](CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC000972183675 1171830393 /nfs/dbraw/zinc/83/03/93/1171830393.db2.gz XOSKFHLOKCHTDT-GVDBMIGSSA-N 2 2 359.474 0.989 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022734463 1171835119 /nfs/dbraw/zinc/83/51/19/1171835119.db2.gz YQCQLZWNFDQDMH-ZMJPVWNMSA-N 2 2 356.434 0.282 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C1CC1 ZINC001022736307 1171840540 /nfs/dbraw/zinc/84/05/40/1171840540.db2.gz QYSHTFFFLLDAEK-GGUBGCTKSA-N 2 2 370.461 0.843 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083248748 1172005716 /nfs/dbraw/zinc/00/57/16/1172005716.db2.gz WFAJBUUHKGSOLP-IPMKNSEASA-N 2 2 370.453 0.608 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083248748 1172005721 /nfs/dbraw/zinc/00/57/21/1172005721.db2.gz WFAJBUUHKGSOLP-IPMKNSEASA-N 2 2 370.453 0.608 20 0 FCADLP Cc1nc(C)n(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000972375124 1172031297 /nfs/dbraw/zinc/03/12/97/1172031297.db2.gz ABNZPWBGLCRXKI-BRWVUGGUSA-N 2 2 371.489 0.965 20 0 FCADLP Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000972375124 1172031308 /nfs/dbraw/zinc/03/13/08/1172031308.db2.gz ABNZPWBGLCRXKI-BRWVUGGUSA-N 2 2 371.489 0.965 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972378657 1172035528 /nfs/dbraw/zinc/03/55/28/1172035528.db2.gz MLHHLUCYIQDARB-ZMSDIMECSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972378657 1172035535 /nfs/dbraw/zinc/03/55/35/1172035535.db2.gz MLHHLUCYIQDARB-ZMSDIMECSA-N 2 2 371.485 0.743 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022843393 1172050416 /nfs/dbraw/zinc/05/04/16/1172050416.db2.gz JKLHYJWCHMKXQK-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022843393 1172050428 /nfs/dbraw/zinc/05/04/28/1172050428.db2.gz JKLHYJWCHMKXQK-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001022843275 1172051765 /nfs/dbraw/zinc/05/17/65/1172051765.db2.gz DLRZWZOWPJXPPK-SUMWQHHRSA-N 2 2 364.409 0.973 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000611724383 1172080645 /nfs/dbraw/zinc/08/06/45/1172080645.db2.gz OLAQIUTYUDLXGW-MSOLQXFVSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000611724762 1172087328 /nfs/dbraw/zinc/08/73/28/1172087328.db2.gz KHQUVIKMVXRCDX-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000611724762 1172087335 /nfs/dbraw/zinc/08/73/35/1172087335.db2.gz KHQUVIKMVXRCDX-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000611724762 1172087342 /nfs/dbraw/zinc/08/73/42/1172087342.db2.gz KHQUVIKMVXRCDX-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP C[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000947244019 1172135671 /nfs/dbraw/zinc/13/56/71/1172135671.db2.gz ZLHGSILBWGYOFC-HZPDHXFCSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000947244019 1172135699 /nfs/dbraw/zinc/13/56/99/1172135699.db2.gz ZLHGSILBWGYOFC-HZPDHXFCSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000988949585 1192585982 /nfs/dbraw/zinc/58/59/82/1192585982.db2.gz ZHAFODJENOAWBW-XOKHGSTOSA-N 2 2 371.441 0.384 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000988949585 1192585987 /nfs/dbraw/zinc/58/59/87/1192585987.db2.gz ZHAFODJENOAWBW-XOKHGSTOSA-N 2 2 371.441 0.384 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC000988990157 1192615786 /nfs/dbraw/zinc/61/57/86/1192615786.db2.gz ZSYJEQXOOGDSQN-VYDXJSESSA-N 2 2 370.457 0.756 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659357 1192806005 /nfs/dbraw/zinc/80/60/05/1192806005.db2.gz POPGXZSCARDRHQ-JJAZEVLHSA-N 2 2 364.494 0.405 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659357 1192806008 /nfs/dbraw/zinc/80/60/08/1192806008.db2.gz POPGXZSCARDRHQ-JJAZEVLHSA-N 2 2 364.494 0.405 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659357 1192806010 /nfs/dbraw/zinc/80/60/10/1192806010.db2.gz POPGXZSCARDRHQ-JJAZEVLHSA-N 2 2 364.494 0.405 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659357 1192806013 /nfs/dbraw/zinc/80/60/13/1192806013.db2.gz POPGXZSCARDRHQ-JJAZEVLHSA-N 2 2 364.494 0.405 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897559175 1192809184 /nfs/dbraw/zinc/80/91/84/1192809184.db2.gz SGULAOQOSMLBJU-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897559175 1192809186 /nfs/dbraw/zinc/80/91/86/1192809186.db2.gz SGULAOQOSMLBJU-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897559175 1192809187 /nfs/dbraw/zinc/80/91/87/1192809187.db2.gz SGULAOQOSMLBJU-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897559175 1192809188 /nfs/dbraw/zinc/80/91/88/1192809188.db2.gz SGULAOQOSMLBJU-LPHOPBHVSA-N 2 2 368.522 0.633 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897559177 1192809204 /nfs/dbraw/zinc/80/92/04/1192809204.db2.gz SGULAOQOSMLBJU-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897559177 1192809205 /nfs/dbraw/zinc/80/92/05/1192809205.db2.gz SGULAOQOSMLBJU-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897559177 1192809206 /nfs/dbraw/zinc/80/92/06/1192809206.db2.gz SGULAOQOSMLBJU-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897559177 1192809208 /nfs/dbraw/zinc/80/92/08/1192809208.db2.gz SGULAOQOSMLBJU-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP O=C(NCC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001059974034 1192829709 /nfs/dbraw/zinc/82/97/09/1192829709.db2.gz KGQYWQCURJYUFK-BZUAXINKSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(NCC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001059974034 1192829710 /nfs/dbraw/zinc/82/97/10/1192829710.db2.gz KGQYWQCURJYUFK-BZUAXINKSA-N 2 2 371.485 0.964 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104452705 1178888545 /nfs/dbraw/zinc/88/85/45/1178888545.db2.gz QSIAJXWECHNSQJ-OIISXLGYSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104452705 1178888546 /nfs/dbraw/zinc/88/85/46/1178888546.db2.gz QSIAJXWECHNSQJ-OIISXLGYSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104468665 1179072664 /nfs/dbraw/zinc/07/26/64/1179072664.db2.gz OJNBESCHDTYUIB-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083259658 1179320506 /nfs/dbraw/zinc/32/05/06/1179320506.db2.gz LXEIUKNQJLKCQY-IPMKNSEASA-N 2 2 370.453 0.906 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083259658 1179320513 /nfs/dbraw/zinc/32/05/13/1179320513.db2.gz LXEIUKNQJLKCQY-IPMKNSEASA-N 2 2 370.453 0.906 20 0 FCADLP COCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023505798 1179822691 /nfs/dbraw/zinc/82/26/91/1179822691.db2.gz CWDSJQVYXPVADB-KURKYZTESA-N 2 2 369.506 0.341 20 0 FCADLP COCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023505798 1179822693 /nfs/dbraw/zinc/82/26/93/1179822693.db2.gz CWDSJQVYXPVADB-KURKYZTESA-N 2 2 369.506 0.341 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001087245993 1179957799 /nfs/dbraw/zinc/95/77/99/1179957799.db2.gz UJKKVTWYEUZYDG-ILXRZTDVSA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001087245993 1179957817 /nfs/dbraw/zinc/95/78/17/1179957817.db2.gz UJKKVTWYEUZYDG-ILXRZTDVSA-N 2 2 364.494 0.804 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001087246271 1179976387 /nfs/dbraw/zinc/97/63/87/1179976387.db2.gz HQDOCGCWHOPCHR-NFAWXSAZSA-N 2 2 360.466 0.693 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001087247802 1180000707 /nfs/dbraw/zinc/00/07/07/1180000707.db2.gz BEJRVNNZIZFSLG-BPQIPLTHSA-N 2 2 363.506 0.858 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001087247802 1180000718 /nfs/dbraw/zinc/00/07/18/1180000718.db2.gz BEJRVNNZIZFSLG-BPQIPLTHSA-N 2 2 363.506 0.858 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000972822252 1180868118 /nfs/dbraw/zinc/86/81/18/1180868118.db2.gz GKUHOOXQJOHORN-JFIYKMOQSA-N 2 2 371.485 0.601 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)CC1 ZINC000548933644 1181361490 /nfs/dbraw/zinc/36/14/90/1181361490.db2.gz INTPHKKUVZLIDP-MXASKKJJSA-N 2 2 367.490 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)CC1 ZINC000548933644 1181361497 /nfs/dbraw/zinc/36/14/97/1181361497.db2.gz INTPHKKUVZLIDP-MXASKKJJSA-N 2 2 367.490 0.770 20 0 FCADLP OCc1c[nH+]ccc1N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000892499438 1181363151 /nfs/dbraw/zinc/36/31/51/1181363151.db2.gz RNGLEQLHJFODEJ-INIZCTEOSA-N 2 2 370.457 0.703 20 0 FCADLP OCc1c[nH+]ccc1N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000892499438 1181363156 /nfs/dbraw/zinc/36/31/56/1181363156.db2.gz RNGLEQLHJFODEJ-INIZCTEOSA-N 2 2 370.457 0.703 20 0 FCADLP COc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001024999869 1181844631 /nfs/dbraw/zinc/84/46/31/1181844631.db2.gz CZWNQEFKJALIHX-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001024999869 1181844637 /nfs/dbraw/zinc/84/46/37/1181844637.db2.gz CZWNQEFKJALIHX-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)CCOCC[NH3+])C2)c1 ZINC000892609466 1181927288 /nfs/dbraw/zinc/92/72/88/1181927288.db2.gz QBOOTNIRZRNFIJ-GOSISDBHSA-N 2 2 364.490 0.813 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)CCOCC[NH3+])C2)c1 ZINC000892609466 1181927292 /nfs/dbraw/zinc/92/72/92/1181927292.db2.gz QBOOTNIRZRNFIJ-GOSISDBHSA-N 2 2 364.490 0.813 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC[C@H]21 ZINC000659256387 1182105390 /nfs/dbraw/zinc/10/53/90/1182105390.db2.gz OXUIGRPPGDIVFC-BRWVUGGUSA-N 2 2 359.474 0.989 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC[C@H]21 ZINC000659256387 1182105397 /nfs/dbraw/zinc/10/53/97/1182105397.db2.gz OXUIGRPPGDIVFC-BRWVUGGUSA-N 2 2 359.474 0.989 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256411 1182105685 /nfs/dbraw/zinc/10/56/85/1182105685.db2.gz PTRWAEJAXODKSG-APWZRJJASA-N 2 2 359.474 0.991 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256411 1182105693 /nfs/dbraw/zinc/10/56/93/1182105693.db2.gz PTRWAEJAXODKSG-APWZRJJASA-N 2 2 359.474 0.991 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000973423564 1182299445 /nfs/dbraw/zinc/29/94/45/1182299445.db2.gz RANZBPBJUZBAFG-KLHDSHLOSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000973461952 1182322172 /nfs/dbraw/zinc/32/21/72/1182322172.db2.gz ZPWHTUGWHUAXOK-KLHDSHLOSA-N 2 2 371.485 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000973466800 1182322861 /nfs/dbraw/zinc/32/28/61/1182322861.db2.gz ZSVAVAZJMSSLNS-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000973466800 1182322869 /nfs/dbraw/zinc/32/28/69/1182322869.db2.gz ZSVAVAZJMSSLNS-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1)[NH+](CC)CC ZINC001104667733 1182352983 /nfs/dbraw/zinc/35/29/83/1182352983.db2.gz YCWYQORIMKVENJ-OAGGEKHMSA-N 2 2 365.526 0.905 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)n1cc[nH+]c1 ZINC001104738423 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CC(C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1)[NH+](C)C ZINC000975839259 1185823745 /nfs/dbraw/zinc/82/37/45/1185823745.db2.gz DNKZQWHQPIPQCM-XYJFISCASA-N 2 2 361.490 0.919 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC000975931730 1185854479 /nfs/dbraw/zinc/85/44/79/1185854479.db2.gz XWEHKXHEMTVBLH-BBWFWOEESA-N 2 2 371.485 0.743 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC000978705275 1185993097 /nfs/dbraw/zinc/99/30/97/1185993097.db2.gz AXBZZWIENMCQGI-HHARLNAUSA-N 2 2 371.485 0.438 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC000978705275 1185993101 /nfs/dbraw/zinc/99/31/01/1185993101.db2.gz AXBZZWIENMCQGI-HHARLNAUSA-N 2 2 371.485 0.438 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979319357 1186084384 /nfs/dbraw/zinc/08/43/84/1186084384.db2.gz LBGHCXOOTPKTHO-JKJDWNRSSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000979319357 1186084391 /nfs/dbraw/zinc/08/43/91/1186084391.db2.gz LBGHCXOOTPKTHO-JKJDWNRSSA-N 2 2 359.474 0.629 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccn1 ZINC001027966394 1186242042 /nfs/dbraw/zinc/24/20/42/1186242042.db2.gz OSBFLTJAOVLZGV-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccn1 ZINC001027966394 1186242051 /nfs/dbraw/zinc/24/20/51/1186242051.db2.gz OSBFLTJAOVLZGV-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211697296 1186335079 /nfs/dbraw/zinc/33/50/79/1186335079.db2.gz ZZFMKSUTBLNCCG-YESZJQIVSA-N 2 2 358.442 0.544 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001745515175 1186628610 /nfs/dbraw/zinc/62/86/10/1186628610.db2.gz YKDUGJALJKXBIF-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001745515175 1186628611 /nfs/dbraw/zinc/62/86/11/1186628611.db2.gz YKDUGJALJKXBIF-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707344 1186677586 /nfs/dbraw/zinc/67/75/86/1186677586.db2.gz NIYSTKJNPXWQDB-ZWKOTPCHSA-N 2 2 369.469 0.683 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)[N@H+](C)C1 ZINC000332783517 1187536271 /nfs/dbraw/zinc/53/62/71/1187536271.db2.gz ZPBVOPGVNDJWKN-XWSJACJDSA-N 2 2 361.486 0.705 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)[N@@H+](C)C1 ZINC000332783517 1187536281 /nfs/dbraw/zinc/53/62/81/1187536281.db2.gz ZPBVOPGVNDJWKN-XWSJACJDSA-N 2 2 361.486 0.705 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)[NH+](C)C1 ZINC000332783517 1187536285 /nfs/dbraw/zinc/53/62/85/1187536285.db2.gz ZPBVOPGVNDJWKN-XWSJACJDSA-N 2 2 361.486 0.705 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)[NH+](C)C1 ZINC000332783517 1187536290 /nfs/dbraw/zinc/53/62/90/1187536290.db2.gz ZPBVOPGVNDJWKN-XWSJACJDSA-N 2 2 361.486 0.705 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372944 1187694703 /nfs/dbraw/zinc/69/47/03/1187694703.db2.gz LOTDSXQNJDCLIW-KURKYZTESA-N 2 2 359.470 0.983 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372944 1187694718 /nfs/dbraw/zinc/69/47/18/1187694718.db2.gz LOTDSXQNJDCLIW-KURKYZTESA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372944 1187694723 /nfs/dbraw/zinc/69/47/23/1187694723.db2.gz LOTDSXQNJDCLIW-KURKYZTESA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372944 1187694733 /nfs/dbraw/zinc/69/47/33/1187694733.db2.gz LOTDSXQNJDCLIW-KURKYZTESA-N 2 2 359.470 0.983 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385641 1187714288 /nfs/dbraw/zinc/71/42/88/1187714288.db2.gz UIEXWQNDFHRKEP-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385641 1187714291 /nfs/dbraw/zinc/71/42/91/1187714291.db2.gz UIEXWQNDFHRKEP-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385641 1187714293 /nfs/dbraw/zinc/71/42/93/1187714293.db2.gz UIEXWQNDFHRKEP-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385641 1187714297 /nfs/dbraw/zinc/71/42/97/1187714297.db2.gz UIEXWQNDFHRKEP-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+](C)CC1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000237095236 1187718891 /nfs/dbraw/zinc/71/88/91/1187718891.db2.gz QDJICISKIWMRIL-UHFFFAOYSA-N 2 2 373.501 0.835 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627642 1187755724 /nfs/dbraw/zinc/75/57/24/1187755724.db2.gz HDWJWXSPEIOABJ-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627642 1187755727 /nfs/dbraw/zinc/75/57/27/1187755727.db2.gz HDWJWXSPEIOABJ-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1nccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627642 1187755731 /nfs/dbraw/zinc/75/57/31/1187755731.db2.gz HDWJWXSPEIOABJ-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1nccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627642 1187755735 /nfs/dbraw/zinc/75/57/35/1187755735.db2.gz HDWJWXSPEIOABJ-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627643 1187756278 /nfs/dbraw/zinc/75/62/78/1187756278.db2.gz HDWJWXSPEIOABJ-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028627643 1187756281 /nfs/dbraw/zinc/75/62/81/1187756281.db2.gz HDWJWXSPEIOABJ-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627643 1187756286 /nfs/dbraw/zinc/75/62/86/1187756286.db2.gz HDWJWXSPEIOABJ-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028627643 1187756289 /nfs/dbraw/zinc/75/62/89/1187756289.db2.gz HDWJWXSPEIOABJ-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C12CC[NH+](CC1)C2 ZINC000982925691 1187793274 /nfs/dbraw/zinc/79/32/74/1187793274.db2.gz JGPONRCBFQBJIL-RRFJBIMHSA-N 2 2 357.458 0.574 20 0 FCADLP O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C12CC[NH+](CC1)C2 ZINC000982925691 1187793277 /nfs/dbraw/zinc/79/32/77/1187793277.db2.gz JGPONRCBFQBJIL-RRFJBIMHSA-N 2 2 357.458 0.574 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000545883946 1187805797 /nfs/dbraw/zinc/80/57/97/1187805797.db2.gz KCGIFEBDKUMYOJ-IBGZPJMESA-N 2 2 362.474 0.385 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000545883946 1187805798 /nfs/dbraw/zinc/80/57/98/1187805798.db2.gz KCGIFEBDKUMYOJ-IBGZPJMESA-N 2 2 362.474 0.385 20 0 FCADLP Cn1cc(CC[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001028811949 1187910851 /nfs/dbraw/zinc/91/08/51/1187910851.db2.gz UANLMHYEZMKSDG-DJIMGWMZSA-N 2 2 356.474 0.938 20 0 FCADLP Cn1cc(CC[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001028811949 1187910855 /nfs/dbraw/zinc/91/08/55/1187910855.db2.gz UANLMHYEZMKSDG-DJIMGWMZSA-N 2 2 356.474 0.938 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001270155695 1188033635 /nfs/dbraw/zinc/03/36/35/1188033635.db2.gz QJEWQEBIHIIKAW-CVEARBPZSA-N 2 2 359.474 0.759 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)c1cccc3c[nH+]cn31)C2 ZINC001270369171 1188123696 /nfs/dbraw/zinc/12/36/96/1188123696.db2.gz QBJTZHGLGGZHAK-UHFFFAOYSA-N 2 2 355.442 0.961 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001270491780 1188172299 /nfs/dbraw/zinc/17/22/99/1188172299.db2.gz XYRNKCMTFSMPFT-OAHLLOKOSA-N 2 2 359.474 0.713 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001270491780 1188172308 /nfs/dbraw/zinc/17/23/08/1188172308.db2.gz XYRNKCMTFSMPFT-OAHLLOKOSA-N 2 2 359.474 0.713 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[C@@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491731 1188172487 /nfs/dbraw/zinc/17/24/87/1188172487.db2.gz XDMMVMRRIZJTLQ-JKSUJKDBSA-N 2 2 359.474 0.580 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCC3(C[C@@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491731 1188172490 /nfs/dbraw/zinc/17/24/90/1188172490.db2.gz XDMMVMRRIZJTLQ-JKSUJKDBSA-N 2 2 359.474 0.580 20 0 FCADLP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000550136468 1188233126 /nfs/dbraw/zinc/23/31/26/1188233126.db2.gz FSECUTPZWKJHST-QGZVFWFLSA-N 2 2 369.469 0.952 20 0 FCADLP C[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000550136468 1188233130 /nfs/dbraw/zinc/23/31/30/1188233130.db2.gz FSECUTPZWKJHST-QGZVFWFLSA-N 2 2 369.469 0.952 20 0 FCADLP CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cccc2[nH+]ccn21)C(N)=[NH2+] ZINC001270686756 1188262883 /nfs/dbraw/zinc/26/28/83/1188262883.db2.gz JEIJYKSMBQYEST-APPDUMDISA-N 2 2 355.402 0.089 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593322 1189640773 /nfs/dbraw/zinc/64/07/73/1189640773.db2.gz BETWDYWYLBRFOT-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593322 1189640782 /nfs/dbraw/zinc/64/07/82/1189640782.db2.gz BETWDYWYLBRFOT-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593322 1189640810 /nfs/dbraw/zinc/64/08/10/1189640810.db2.gz BETWDYWYLBRFOT-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593322 1189640821 /nfs/dbraw/zinc/64/08/21/1189640821.db2.gz BETWDYWYLBRFOT-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087631140 1189681206 /nfs/dbraw/zinc/68/12/06/1189681206.db2.gz MJYUVZQWHBWHAK-BHYGNILZSA-N 2 2 359.474 0.647 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087631140 1189681209 /nfs/dbraw/zinc/68/12/09/1189681209.db2.gz MJYUVZQWHBWHAK-BHYGNILZSA-N 2 2 359.474 0.647 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1ncccn1 ZINC001087665368 1189719748 /nfs/dbraw/zinc/71/97/48/1189719748.db2.gz LQLKPOSGCXNZTA-PVXQGDRASA-N 2 2 371.485 0.809 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1ncccn1 ZINC001087665368 1189719759 /nfs/dbraw/zinc/71/97/59/1189719759.db2.gz LQLKPOSGCXNZTA-PVXQGDRASA-N 2 2 371.485 0.809 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ncccn1 ZINC001087665368 1189719772 /nfs/dbraw/zinc/71/97/72/1189719772.db2.gz LQLKPOSGCXNZTA-PVXQGDRASA-N 2 2 371.485 0.809 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000984257945 1189724174 /nfs/dbraw/zinc/72/41/74/1189724174.db2.gz GQLPHKXDJGTWCT-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000984257945 1189724186 /nfs/dbraw/zinc/72/41/86/1189724186.db2.gz GQLPHKXDJGTWCT-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1cncn1C ZINC001087700280 1189774779 /nfs/dbraw/zinc/77/47/79/1189774779.db2.gz HQLASKRVTXREJZ-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1cncn1C ZINC001087700280 1189774795 /nfs/dbraw/zinc/77/47/95/1189774795.db2.gz HQLASKRVTXREJZ-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1cncn1C ZINC001087700280 1189774806 /nfs/dbraw/zinc/77/48/06/1189774806.db2.gz HQLASKRVTXREJZ-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1cncn1C ZINC001087700280 1189774825 /nfs/dbraw/zinc/77/48/25/1189774825.db2.gz HQLASKRVTXREJZ-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1cnnn1C ZINC001087700434 1189775065 /nfs/dbraw/zinc/77/50/65/1189775065.db2.gz LWHQZAWGMIKWKZ-GVDBMIGSSA-N 2 2 364.494 0.393 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1cnnn1C ZINC001087700434 1189775089 /nfs/dbraw/zinc/77/50/89/1189775089.db2.gz LWHQZAWGMIKWKZ-GVDBMIGSSA-N 2 2 364.494 0.393 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1cnnn1C ZINC001087700434 1189775107 /nfs/dbraw/zinc/77/51/07/1189775107.db2.gz LWHQZAWGMIKWKZ-GVDBMIGSSA-N 2 2 364.494 0.393 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1cnnn1C ZINC001087700434 1189775116 /nfs/dbraw/zinc/77/51/16/1189775116.db2.gz LWHQZAWGMIKWKZ-GVDBMIGSSA-N 2 2 364.494 0.393 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1cnnn1C ZINC001087700433 1189775306 /nfs/dbraw/zinc/77/53/06/1189775306.db2.gz LWHQZAWGMIKWKZ-BBWFWOEESA-N 2 2 364.494 0.393 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1cnnn1C ZINC001087700433 1189775312 /nfs/dbraw/zinc/77/53/12/1189775312.db2.gz LWHQZAWGMIKWKZ-BBWFWOEESA-N 2 2 364.494 0.393 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1cnnn1C ZINC001087700433 1189775319 /nfs/dbraw/zinc/77/53/19/1189775319.db2.gz LWHQZAWGMIKWKZ-BBWFWOEESA-N 2 2 364.494 0.393 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1cnnn1C ZINC001087700433 1189775326 /nfs/dbraw/zinc/77/53/26/1189775326.db2.gz LWHQZAWGMIKWKZ-BBWFWOEESA-N 2 2 364.494 0.393 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001271144232 1189815496 /nfs/dbraw/zinc/81/54/96/1189815496.db2.gz XIBFEPFQPOPLBA-ZACQAIPSSA-N 2 2 359.474 0.959 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001271144232 1189815498 /nfs/dbraw/zinc/81/54/98/1189815498.db2.gz XIBFEPFQPOPLBA-ZACQAIPSSA-N 2 2 359.474 0.959 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075819709 1189825972 /nfs/dbraw/zinc/82/59/72/1189825972.db2.gz ABAPOMIKCZHYMA-CWRNSKLLSA-N 2 2 357.458 0.183 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001075819709 1189825974 /nfs/dbraw/zinc/82/59/74/1189825974.db2.gz ABAPOMIKCZHYMA-CWRNSKLLSA-N 2 2 357.458 0.183 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908921 1189892941 /nfs/dbraw/zinc/89/29/41/1189892941.db2.gz RNASCMHEFVRXDY-OWCLPIDISA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908921 1189892944 /nfs/dbraw/zinc/89/29/44/1189892944.db2.gz RNASCMHEFVRXDY-OWCLPIDISA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908921 1189892947 /nfs/dbraw/zinc/89/29/47/1189892947.db2.gz RNASCMHEFVRXDY-OWCLPIDISA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908921 1189892949 /nfs/dbraw/zinc/89/29/49/1189892949.db2.gz RNASCMHEFVRXDY-OWCLPIDISA-N 2 2 361.494 0.629 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920558 1189905094 /nfs/dbraw/zinc/90/50/94/1189905094.db2.gz TZBKNBOUGDMWDO-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920558 1189905097 /nfs/dbraw/zinc/90/50/97/1189905097.db2.gz TZBKNBOUGDMWDO-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920558 1189905103 /nfs/dbraw/zinc/90/51/03/1189905103.db2.gz TZBKNBOUGDMWDO-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920558 1189905109 /nfs/dbraw/zinc/90/51/09/1189905109.db2.gz TZBKNBOUGDMWDO-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950509 1189981125 /nfs/dbraw/zinc/98/11/25/1189981125.db2.gz WGGDFVHLBJISIU-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950509 1189981127 /nfs/dbraw/zinc/98/11/27/1189981127.db2.gz WGGDFVHLBJISIU-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)n1C ZINC001087971611 1190032351 /nfs/dbraw/zinc/03/23/51/1190032351.db2.gz JPFGVWOIZYLMPQ-WCXIOVBPSA-N 2 2 374.533 0.998 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@@H]3C2)n1C ZINC001087971611 1190032356 /nfs/dbraw/zinc/03/23/56/1190032356.db2.gz JPFGVWOIZYLMPQ-WCXIOVBPSA-N 2 2 374.533 0.998 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]3C2)n1C ZINC001087971611 1190032360 /nfs/dbraw/zinc/03/23/60/1190032360.db2.gz JPFGVWOIZYLMPQ-WCXIOVBPSA-N 2 2 374.533 0.998 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)n1C ZINC001087971611 1190032366 /nfs/dbraw/zinc/03/23/66/1190032366.db2.gz JPFGVWOIZYLMPQ-WCXIOVBPSA-N 2 2 374.533 0.998 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C ZINC000984825361 1190163670 /nfs/dbraw/zinc/16/36/70/1190163670.db2.gz WWRZULWRBLHYLM-DHGKCCLASA-N 2 2 358.450 0.293 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984894784 1190223502 /nfs/dbraw/zinc/22/35/02/1190223502.db2.gz DNBIGMYLNMMTOX-OWCLPIDISA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984894784 1190223507 /nfs/dbraw/zinc/22/35/07/1190223507.db2.gz DNBIGMYLNMMTOX-OWCLPIDISA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081764 1190467260 /nfs/dbraw/zinc/46/72/60/1190467260.db2.gz DAZDFCFQKQVLMA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081764 1190467267 /nfs/dbraw/zinc/46/72/67/1190467267.db2.gz DAZDFCFQKQVLMA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[NH+]1C ZINC001088081764 1190467274 /nfs/dbraw/zinc/46/72/74/1190467274.db2.gz DAZDFCFQKQVLMA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[NH+]1C ZINC001088081764 1190467280 /nfs/dbraw/zinc/46/72/80/1190467280.db2.gz DAZDFCFQKQVLMA-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121759 1190616656 /nfs/dbraw/zinc/61/66/56/1190616656.db2.gz WLZWDSBTZNSLSY-VYDXJSESSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121759 1190616661 /nfs/dbraw/zinc/61/66/61/1190616661.db2.gz WLZWDSBTZNSLSY-VYDXJSESSA-N 2 2 359.474 0.742 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985163582 1190661154 /nfs/dbraw/zinc/66/11/54/1190661154.db2.gz FEFWVKFMMRNSIN-JKSUJKDBSA-N 2 2 359.474 0.554 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)CC[C@@H]3C2)CC1 ZINC001088150608 1190674321 /nfs/dbraw/zinc/67/43/21/1190674321.db2.gz MYFYFISKHFBJNE-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)CC[C@@H]3C2)CC1 ZINC001088150608 1190674328 /nfs/dbraw/zinc/67/43/28/1190674328.db2.gz MYFYFISKHFBJNE-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C)CC[C@@H]3C2)CC1 ZINC001088150482 1190674469 /nfs/dbraw/zinc/67/44/69/1190674469.db2.gz FRACLNRKNXQNMJ-CVEARBPZSA-N 2 2 361.494 0.222 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C)CC[C@@H]3C2)CC1 ZINC001088150482 1190674474 /nfs/dbraw/zinc/67/44/74/1190674474.db2.gz FRACLNRKNXQNMJ-CVEARBPZSA-N 2 2 361.494 0.222 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088151435 1190676449 /nfs/dbraw/zinc/67/64/49/1190676449.db2.gz DRGGVXABVMOJCT-ILXRZTDVSA-N 2 2 355.446 0.512 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088151435 1190676458 /nfs/dbraw/zinc/67/64/58/1190676458.db2.gz DRGGVXABVMOJCT-ILXRZTDVSA-N 2 2 355.446 0.512 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075866756 1190718786 /nfs/dbraw/zinc/71/87/86/1190718786.db2.gz QOBFEQWHKBKEEC-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075866756 1190718788 /nfs/dbraw/zinc/71/87/88/1190718788.db2.gz QOBFEQWHKBKEEC-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075866756 1190718790 /nfs/dbraw/zinc/71/87/90/1190718790.db2.gz QOBFEQWHKBKEEC-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075866756 1190718793 /nfs/dbraw/zinc/71/87/93/1190718793.db2.gz QOBFEQWHKBKEEC-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1cc(CN2C[C@]3(CC[N@@H+](C4CC[NH+](C)CC4)C3)OCC2=O)n(C)n1 ZINC001276756374 1224111460 /nfs/dbraw/zinc/11/14/60/1224111460.db2.gz OMPPCHUBTIVIPS-LJQANCHMSA-N 2 2 361.490 0.626 20 0 FCADLP Cc1cc(CN2C[C@]3(CC[N@H+](C4CC[NH+](C)CC4)C3)OCC2=O)n(C)n1 ZINC001276756374 1224111461 /nfs/dbraw/zinc/11/14/61/1224111461.db2.gz OMPPCHUBTIVIPS-LJQANCHMSA-N 2 2 361.490 0.626 20 0 FCADLP C[C@H]1C[C@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168129000 1190869488 /nfs/dbraw/zinc/86/94/88/1190869488.db2.gz WDHYLGIEKDLFBG-GOEBONIOSA-N 2 2 372.473 0.972 20 0 FCADLP C[C@H]1C[C@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168129000 1190869492 /nfs/dbraw/zinc/86/94/92/1190869492.db2.gz WDHYLGIEKDLFBG-GOEBONIOSA-N 2 2 372.473 0.972 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986131992 1190902255 /nfs/dbraw/zinc/90/22/55/1190902255.db2.gz WEXGCKUDVRJJSM-CVEARBPZSA-N 2 2 359.474 0.663 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1)[NH+](C)C ZINC000986260270 1190936255 /nfs/dbraw/zinc/93/62/55/1190936255.db2.gz DQESJGDQJZFVGU-RYRKJORJSA-N 2 2 361.490 0.776 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000986404122 1190974457 /nfs/dbraw/zinc/97/44/57/1190974457.db2.gz VBWWKPGWWMMQRC-SJORKVTESA-N 2 2 370.457 0.785 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1)[NH+](C)C ZINC000986424438 1190986556 /nfs/dbraw/zinc/98/65/56/1190986556.db2.gz GUNVLCDLZQDIPG-PMPSAXMXSA-N 2 2 361.490 0.989 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276759008 1224122778 /nfs/dbraw/zinc/12/27/78/1224122778.db2.gz XYVHSEHZLFGTEM-BEFAXECRSA-N 2 2 367.490 0.583 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276759008 1224122780 /nfs/dbraw/zinc/12/27/80/1224122780.db2.gz XYVHSEHZLFGTEM-BEFAXECRSA-N 2 2 367.490 0.583 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnn(C)n3)CC2)O1 ZINC001029972486 1191056056 /nfs/dbraw/zinc/05/60/56/1191056056.db2.gz IIDWQARDONWGRQ-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnn(C)n3)CC2)O1 ZINC001029972486 1191056058 /nfs/dbraw/zinc/05/60/58/1191056058.db2.gz IIDWQARDONWGRQ-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cnn(C)n3)CC2)O1 ZINC001029972486 1191056061 /nfs/dbraw/zinc/05/60/61/1191056061.db2.gz IIDWQARDONWGRQ-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3cnn(C)n3)CC2)O1 ZINC001029972486 1191056062 /nfs/dbraw/zinc/05/60/62/1191056062.db2.gz IIDWQARDONWGRQ-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000729605492 1191119669 /nfs/dbraw/zinc/11/96/69/1191119669.db2.gz KAHSNGOUUSXMJA-OAHLLOKOSA-N 2 2 363.462 0.643 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000729605492 1191119671 /nfs/dbraw/zinc/11/96/71/1191119671.db2.gz KAHSNGOUUSXMJA-OAHLLOKOSA-N 2 2 363.462 0.643 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1C ZINC000988108343 1191150035 /nfs/dbraw/zinc/15/00/35/1191150035.db2.gz KURKZWUCBLWGBA-KMFMINBZSA-N 2 2 370.457 0.756 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000988109811 1191150220 /nfs/dbraw/zinc/15/02/20/1191150220.db2.gz PVIWGPFZENITAJ-VYDXJSESSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988191007 1191157970 /nfs/dbraw/zinc/15/79/70/1191157970.db2.gz RYBULKZIRLKYBW-COXVUDFISA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988191007 1191157971 /nfs/dbraw/zinc/15/79/71/1191157971.db2.gz RYBULKZIRLKYBW-COXVUDFISA-N 2 2 359.474 0.790 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)CC)C[C@@H]32)CC[N@@H+]1C ZINC001217932570 1224132825 /nfs/dbraw/zinc/13/28/25/1224132825.db2.gz LYWWCLUHBFFYJV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)CC)C[C@@H]32)CC[N@H+]1C ZINC001217932570 1224132827 /nfs/dbraw/zinc/13/28/27/1224132827.db2.gz LYWWCLUHBFFYJV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N(C)CC)C[C@@H]32)CC[NH+]1C ZINC001217932570 1224132829 /nfs/dbraw/zinc/13/28/29/1224132829.db2.gz LYWWCLUHBFFYJV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N(C)CC)C[C@@H]32)CC[NH+]1C ZINC001217932570 1224132830 /nfs/dbraw/zinc/13/28/30/1224132830.db2.gz LYWWCLUHBFFYJV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC001218195128 1224146819 /nfs/dbraw/zinc/14/68/19/1224146819.db2.gz DIWGESYRONOSNR-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC001218195128 1224146821 /nfs/dbraw/zinc/14/68/21/1224146821.db2.gz DIWGESYRONOSNR-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213906 1224147778 /nfs/dbraw/zinc/14/77/78/1224147778.db2.gz JVXWSSUFVYELKU-XOKHGSTOSA-N 2 2 366.462 0.422 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213906 1224147781 /nfs/dbraw/zinc/14/77/81/1224147781.db2.gz JVXWSSUFVYELKU-XOKHGSTOSA-N 2 2 366.462 0.422 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001218282044 1224151518 /nfs/dbraw/zinc/15/15/18/1224151518.db2.gz MIAQMNNZXUGOME-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001218282044 1224151521 /nfs/dbraw/zinc/15/15/21/1224151521.db2.gz MIAQMNNZXUGOME-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306993 1224153494 /nfs/dbraw/zinc/15/34/94/1224153494.db2.gz UQKWNXJQXHWZPB-OWCLPIDISA-N 2 2 363.462 0.147 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306993 1224153496 /nfs/dbraw/zinc/15/34/96/1224153496.db2.gz UQKWNXJQXHWZPB-OWCLPIDISA-N 2 2 363.462 0.147 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218377377 1224156933 /nfs/dbraw/zinc/15/69/33/1224156933.db2.gz PAZLRYJNGCBGFC-OWCLPIDISA-N 2 2 366.506 0.426 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218377377 1224156936 /nfs/dbraw/zinc/15/69/36/1224156936.db2.gz PAZLRYJNGCBGFC-OWCLPIDISA-N 2 2 366.506 0.426 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000550685150 1193733541 /nfs/dbraw/zinc/73/35/41/1193733541.db2.gz ITEPMWXCWZWJIB-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000550756399 1193760667 /nfs/dbraw/zinc/76/06/67/1193760667.db2.gz KTVHNRTTZHHAPB-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000550756399 1193760670 /nfs/dbraw/zinc/76/06/70/1193760670.db2.gz KTVHNRTTZHHAPB-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000990004775 1193780140 /nfs/dbraw/zinc/78/01/40/1193780140.db2.gz HCIPZQNGOIDVCG-ZBFHGGJFSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000990004775 1193780142 /nfs/dbraw/zinc/78/01/42/1193780142.db2.gz HCIPZQNGOIDVCG-ZBFHGGJFSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088702766 1193802084 /nfs/dbraw/zinc/80/20/84/1193802084.db2.gz ICMGVXOQSZUYDL-CVEARBPZSA-N 2 2 364.490 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088702766 1193802087 /nfs/dbraw/zinc/80/20/87/1193802087.db2.gz ICMGVXOQSZUYDL-CVEARBPZSA-N 2 2 364.490 0.053 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCC[C@H]([NH2+]CCOCCO)C1 ZINC001691621548 1193807364 /nfs/dbraw/zinc/80/73/64/1193807364.db2.gz XVZLRWJLXNEYKZ-ARFHVFGLSA-N 2 2 350.463 0.883 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCOCCO)C1 ZINC001691621548 1193807365 /nfs/dbraw/zinc/80/73/65/1193807365.db2.gz XVZLRWJLXNEYKZ-ARFHVFGLSA-N 2 2 350.463 0.883 20 0 FCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncnc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001218536831 1224169297 /nfs/dbraw/zinc/16/92/97/1224169297.db2.gz OYBPTCWUDYEFIA-RDJZCZTQSA-N 2 2 370.457 0.665 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558029 1224172533 /nfs/dbraw/zinc/17/25/33/1224172533.db2.gz QOZXSWXEDCWOEZ-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558029 1224172539 /nfs/dbraw/zinc/17/25/39/1224172539.db2.gz QOZXSWXEDCWOEZ-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000550962841 1193822545 /nfs/dbraw/zinc/82/25/45/1193822545.db2.gz XNGXATGSLSLLDT-MRXNPFEDSA-N 2 2 361.490 0.677 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000550962841 1193822548 /nfs/dbraw/zinc/82/25/48/1193822548.db2.gz XNGXATGSLSLLDT-MRXNPFEDSA-N 2 2 361.490 0.677 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001075948820 1193825661 /nfs/dbraw/zinc/82/56/61/1193825661.db2.gz JUAKHSVVQXFPDU-JCURWCKSSA-N 2 2 353.426 0.988 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001075948820 1193825664 /nfs/dbraw/zinc/82/56/64/1193825664.db2.gz JUAKHSVVQXFPDU-JCURWCKSSA-N 2 2 353.426 0.988 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550696 1224171456 /nfs/dbraw/zinc/17/14/56/1224171456.db2.gz KAJOWNTVKBEGRC-HYVNUMGLSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550696 1224171459 /nfs/dbraw/zinc/17/14/59/1224171459.db2.gz KAJOWNTVKBEGRC-HYVNUMGLSA-N 2 2 359.474 0.791 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636926 1193843532 /nfs/dbraw/zinc/84/35/32/1193843532.db2.gz GVUSGBQEYMPTSD-FPAYPSAMSA-N 2 2 364.490 0.691 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636926 1193843534 /nfs/dbraw/zinc/84/35/34/1193843534.db2.gz GVUSGBQEYMPTSD-FPAYPSAMSA-N 2 2 364.490 0.691 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000551347133 1193851447 /nfs/dbraw/zinc/85/14/47/1193851447.db2.gz POYAUFHWUDAHNQ-UHFFFAOYSA-N 2 2 361.490 0.867 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5cc[nH+]c5C4)[C@@H]3C2)cn1 ZINC001075966267 1193886006 /nfs/dbraw/zinc/88/60/06/1193886006.db2.gz VMCVSEFIIXJOBQ-FGTMMUONSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5cc[nH+]c5C4)[C@@H]3C2)cn1 ZINC001075966267 1193886007 /nfs/dbraw/zinc/88/60/07/1193886007.db2.gz VMCVSEFIIXJOBQ-FGTMMUONSA-N 2 2 368.485 0.954 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)c3ccc([C@H](N)C[NH3+])cc3)cn2)CC1 ZINC001218579789 1224176457 /nfs/dbraw/zinc/17/64/57/1224176457.db2.gz LAGUBWWFEVPCSQ-MRXNPFEDSA-N 2 2 355.446 0.439 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1 ZINC001218582630 1224177456 /nfs/dbraw/zinc/17/74/56/1224177456.db2.gz RHRJJMXYLCBZAG-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1 ZINC001218582630 1224177463 /nfs/dbraw/zinc/17/74/63/1224177463.db2.gz RHRJJMXYLCBZAG-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582834 1224177986 /nfs/dbraw/zinc/17/79/86/1224177986.db2.gz VARQXGPGOQHEJJ-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582834 1224177992 /nfs/dbraw/zinc/17/79/92/1224177992.db2.gz VARQXGPGOQHEJJ-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075993393 1193929742 /nfs/dbraw/zinc/92/97/42/1193929742.db2.gz SJLBJXCAFRCKFC-WMLDXEAASA-N 2 2 351.414 0.809 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075993393 1193929745 /nfs/dbraw/zinc/92/97/45/1193929745.db2.gz SJLBJXCAFRCKFC-WMLDXEAASA-N 2 2 351.414 0.809 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000552846317 1193955092 /nfs/dbraw/zinc/95/50/92/1193955092.db2.gz WJGPVKQQOVQIHW-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000552846317 1193955094 /nfs/dbraw/zinc/95/50/94/1193955094.db2.gz WJGPVKQQOVQIHW-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000552881026 1193957643 /nfs/dbraw/zinc/95/76/43/1193957643.db2.gz DVZIEMDTTHVVSK-UHFFFAOYSA-N 2 2 361.421 0.825 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21)[NH+](CC)CC ZINC001218624921 1224185825 /nfs/dbraw/zinc/18/58/25/1224185825.db2.gz YGKVRYXDUHHZDN-YESZJQIVSA-N 2 2 364.494 0.310 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21)[NH+](CC)CC ZINC001218624921 1224185829 /nfs/dbraw/zinc/18/58/29/1224185829.db2.gz YGKVRYXDUHHZDN-YESZJQIVSA-N 2 2 364.494 0.310 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218644989 1224188288 /nfs/dbraw/zinc/18/82/88/1224188288.db2.gz ZNUZPZKOBRNWEA-NWDGAFQWSA-N 2 2 356.390 0.377 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645872 1224189361 /nfs/dbraw/zinc/18/93/61/1224189361.db2.gz LFVQDWWCHSKYPE-OWCLPIDISA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645872 1224189366 /nfs/dbraw/zinc/18/93/66/1224189366.db2.gz LFVQDWWCHSKYPE-OWCLPIDISA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645872 1224189370 /nfs/dbraw/zinc/18/93/70/1224189370.db2.gz LFVQDWWCHSKYPE-OWCLPIDISA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645872 1224189375 /nfs/dbraw/zinc/18/93/75/1224189375.db2.gz LFVQDWWCHSKYPE-OWCLPIDISA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000842194643 1194087344 /nfs/dbraw/zinc/08/73/44/1194087344.db2.gz SASFIBPYCMDWEA-CQSZACIVSA-N 2 2 361.490 0.691 20 0 FCADLP CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218659644 1224192230 /nfs/dbraw/zinc/19/22/30/1224192230.db2.gz LOKXEDVPKXXOOW-GWCFXTLKSA-N 2 2 361.377 0.673 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815529 1194111246 /nfs/dbraw/zinc/11/12/46/1194111246.db2.gz UKTJXPNXLXRIGF-PVAVHDDUSA-N 2 2 364.494 0.486 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815529 1194111253 /nfs/dbraw/zinc/11/12/53/1194111253.db2.gz UKTJXPNXLXRIGF-PVAVHDDUSA-N 2 2 364.494 0.486 20 0 FCADLP CCn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815529 1194111258 /nfs/dbraw/zinc/11/12/58/1194111258.db2.gz UKTJXPNXLXRIGF-PVAVHDDUSA-N 2 2 364.494 0.486 20 0 FCADLP CCn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815529 1194111262 /nfs/dbraw/zinc/11/12/62/1194111262.db2.gz UKTJXPNXLXRIGF-PVAVHDDUSA-N 2 2 364.494 0.486 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521615 1194136658 /nfs/dbraw/zinc/13/66/58/1194136658.db2.gz ASVAQKWHQGNOAM-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521615 1194136659 /nfs/dbraw/zinc/13/66/59/1194136659.db2.gz ASVAQKWHQGNOAM-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521615 1194136663 /nfs/dbraw/zinc/13/66/63/1194136663.db2.gz ASVAQKWHQGNOAM-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521615 1194136666 /nfs/dbraw/zinc/13/66/66/1194136666.db2.gz ASVAQKWHQGNOAM-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Nc1cn(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708771 1224201198 /nfs/dbraw/zinc/20/11/98/1224201198.db2.gz HJIMNNSOVUKYGK-QGZVFWFLSA-N 3 2 372.448 0.746 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001083540474 1194282229 /nfs/dbraw/zinc/28/22/29/1194282229.db2.gz HZBLLUDUYHLTHD-AHCXZYCDSA-N 2 2 362.474 0.881 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001083540474 1194282234 /nfs/dbraw/zinc/28/22/34/1194282234.db2.gz HZBLLUDUYHLTHD-AHCXZYCDSA-N 2 2 362.474 0.881 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001076076835 1194290491 /nfs/dbraw/zinc/29/04/91/1194290491.db2.gz KPWNIMDUVJRSSF-MLHJIOFPSA-N 2 2 369.481 0.759 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001076076835 1194290495 /nfs/dbraw/zinc/29/04/95/1194290495.db2.gz KPWNIMDUVJRSSF-MLHJIOFPSA-N 2 2 369.481 0.759 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085918 1194299015 /nfs/dbraw/zinc/29/90/15/1194299015.db2.gz HVMQGJFBFQDEEY-JQHSSLGASA-N 2 2 358.490 0.722 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085918 1194299020 /nfs/dbraw/zinc/29/90/20/1194299020.db2.gz HVMQGJFBFQDEEY-JQHSSLGASA-N 2 2 358.490 0.722 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076106644 1194308584 /nfs/dbraw/zinc/30/85/84/1194308584.db2.gz AQYWGKHARDABNM-GVDBMIGSSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076106644 1194308591 /nfs/dbraw/zinc/30/85/91/1194308591.db2.gz AQYWGKHARDABNM-GVDBMIGSSA-N 2 2 359.474 0.815 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076107499 1194309316 /nfs/dbraw/zinc/30/93/16/1194309316.db2.gz ZDTQLFIPHRENRS-HRCADAONSA-N 2 2 355.446 0.585 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076107499 1194309320 /nfs/dbraw/zinc/30/93/20/1194309320.db2.gz ZDTQLFIPHRENRS-HRCADAONSA-N 2 2 355.446 0.585 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218743319 1224208657 /nfs/dbraw/zinc/20/86/57/1224208657.db2.gz PWMHSZHOYJXVCA-ZDUSSCGKSA-N 2 2 360.418 0.464 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076295724 1194387716 /nfs/dbraw/zinc/38/77/16/1194387716.db2.gz UVPDBCARRQDPHU-IAOVAPTHSA-N 2 2 357.458 0.638 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076295724 1194387722 /nfs/dbraw/zinc/38/77/22/1194387722.db2.gz UVPDBCARRQDPHU-IAOVAPTHSA-N 2 2 357.458 0.638 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406429 1194451542 /nfs/dbraw/zinc/45/15/42/1194451542.db2.gz JFLMAVMLUKNJLS-WMLDXEAASA-N 2 2 368.441 0.502 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406429 1194451550 /nfs/dbraw/zinc/45/15/50/1194451550.db2.gz JFLMAVMLUKNJLS-WMLDXEAASA-N 2 2 368.441 0.502 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076462064 1194505848 /nfs/dbraw/zinc/50/58/48/1194505848.db2.gz GVISAFSMGFHSHX-HLLBOEOZSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076462064 1194505855 /nfs/dbraw/zinc/50/58/55/1194505855.db2.gz GVISAFSMGFHSHX-HLLBOEOZSA-N 2 2 359.474 0.412 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789271 1224222043 /nfs/dbraw/zinc/22/20/43/1224222043.db2.gz DSQXGCMZZSNRPJ-OWCLPIDISA-N 2 2 363.462 0.147 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789271 1224222061 /nfs/dbraw/zinc/22/20/61/1224222061.db2.gz DSQXGCMZZSNRPJ-OWCLPIDISA-N 2 2 363.462 0.147 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218797552 1224225013 /nfs/dbraw/zinc/22/50/13/1224225013.db2.gz FVXBVLQZCPEHPI-KPZWWZAWSA-N 2 2 356.430 0.728 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569181 1194574218 /nfs/dbraw/zinc/57/42/18/1194574218.db2.gz MTUZWQVUMZDSGN-YQQAZPJKSA-N 2 2 358.490 0.906 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569181 1194574221 /nfs/dbraw/zinc/57/42/21/1194574221.db2.gz MTUZWQVUMZDSGN-YQQAZPJKSA-N 2 2 358.490 0.906 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569181 1194574229 /nfs/dbraw/zinc/57/42/29/1194574229.db2.gz MTUZWQVUMZDSGN-YQQAZPJKSA-N 2 2 358.490 0.906 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569181 1194574233 /nfs/dbraw/zinc/57/42/33/1194574233.db2.gz MTUZWQVUMZDSGN-YQQAZPJKSA-N 2 2 358.490 0.906 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)no1 ZINC001076576446 1194582827 /nfs/dbraw/zinc/58/28/27/1194582827.db2.gz LNEQDWGFQCILPX-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)no1 ZINC001076576446 1194582830 /nfs/dbraw/zinc/58/28/30/1194582830.db2.gz LNEQDWGFQCILPX-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218798306 1224226284 /nfs/dbraw/zinc/22/62/84/1224226284.db2.gz OZCBOQKHZDSCLG-GFCCVEGCSA-N 3 2 356.430 0.586 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905745 1224252567 /nfs/dbraw/zinc/25/25/67/1224252567.db2.gz XUPQDWPYCZYRLJ-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905745 1224252580 /nfs/dbraw/zinc/25/25/80/1224252580.db2.gz XUPQDWPYCZYRLJ-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905745 1224252589 /nfs/dbraw/zinc/25/25/89/1224252589.db2.gz XUPQDWPYCZYRLJ-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905745 1224252598 /nfs/dbraw/zinc/25/25/98/1224252598.db2.gz XUPQDWPYCZYRLJ-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905746 1224253076 /nfs/dbraw/zinc/25/30/76/1224253076.db2.gz XUPQDWPYCZYRLJ-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905746 1224253083 /nfs/dbraw/zinc/25/30/83/1224253083.db2.gz XUPQDWPYCZYRLJ-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905746 1224253087 /nfs/dbraw/zinc/25/30/87/1224253087.db2.gz XUPQDWPYCZYRLJ-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218905746 1224253096 /nfs/dbraw/zinc/25/30/96/1224253096.db2.gz XUPQDWPYCZYRLJ-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812562 1195034290 /nfs/dbraw/zinc/03/42/90/1195034290.db2.gz LOTDSXQNJDCLIW-KZNAEPCWSA-N 2 2 359.470 0.983 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812562 1195034294 /nfs/dbraw/zinc/03/42/94/1195034294.db2.gz LOTDSXQNJDCLIW-KZNAEPCWSA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812562 1195034301 /nfs/dbraw/zinc/03/43/01/1195034301.db2.gz LOTDSXQNJDCLIW-KZNAEPCWSA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812562 1195034308 /nfs/dbraw/zinc/03/43/08/1195034308.db2.gz LOTDSXQNJDCLIW-KZNAEPCWSA-N 2 2 359.470 0.983 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838610 1195043923 /nfs/dbraw/zinc/04/39/23/1195043923.db2.gz FEOXDPBNQXKKRM-KZNAEPCWSA-N 2 2 358.442 0.160 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838610 1195043925 /nfs/dbraw/zinc/04/39/25/1195043925.db2.gz FEOXDPBNQXKKRM-KZNAEPCWSA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838610 1195043927 /nfs/dbraw/zinc/04/39/27/1195043927.db2.gz FEOXDPBNQXKKRM-KZNAEPCWSA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838610 1195043929 /nfs/dbraw/zinc/04/39/29/1195043929.db2.gz FEOXDPBNQXKKRM-KZNAEPCWSA-N 2 2 358.442 0.160 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001077023599 1195159756 /nfs/dbraw/zinc/15/97/56/1195159756.db2.gz JOPSHUZKSGYYIJ-MWQQHZPXSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001077023599 1195159762 /nfs/dbraw/zinc/15/97/62/1195159762.db2.gz JOPSHUZKSGYYIJ-MWQQHZPXSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001077023599 1195159765 /nfs/dbraw/zinc/15/97/65/1195159765.db2.gz JOPSHUZKSGYYIJ-MWQQHZPXSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001077023599 1195159769 /nfs/dbraw/zinc/15/97/69/1195159769.db2.gz JOPSHUZKSGYYIJ-MWQQHZPXSA-N 2 2 362.474 0.482 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127656 1195241545 /nfs/dbraw/zinc/24/15/45/1195241545.db2.gz DPJNBIWMKLPGHG-ZTFGCOKTSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127656 1195241551 /nfs/dbraw/zinc/24/15/51/1195241551.db2.gz DPJNBIWMKLPGHG-ZTFGCOKTSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127656 1195241557 /nfs/dbraw/zinc/24/15/57/1195241557.db2.gz DPJNBIWMKLPGHG-ZTFGCOKTSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127656 1195241561 /nfs/dbraw/zinc/24/15/61/1195241561.db2.gz DPJNBIWMKLPGHG-ZTFGCOKTSA-N 2 2 364.490 0.876 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127838 1195242516 /nfs/dbraw/zinc/24/25/16/1195242516.db2.gz LJGUKEUNNWUASR-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127838 1195242519 /nfs/dbraw/zinc/24/25/19/1195242519.db2.gz LJGUKEUNNWUASR-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127838 1195242525 /nfs/dbraw/zinc/24/25/25/1195242525.db2.gz LJGUKEUNNWUASR-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127838 1195242529 /nfs/dbraw/zinc/24/25/29/1195242529.db2.gz LJGUKEUNNWUASR-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C)cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565259 1195260785 /nfs/dbraw/zinc/26/07/85/1195260785.db2.gz JIOBTCXFYHDYHT-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1cc(C)cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565259 1195260791 /nfs/dbraw/zinc/26/07/91/1195260791.db2.gz JIOBTCXFYHDYHT-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1cc(C)cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565259 1195260801 /nfs/dbraw/zinc/26/08/01/1195260801.db2.gz JIOBTCXFYHDYHT-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565259 1195260808 /nfs/dbraw/zinc/26/08/08/1195260808.db2.gz JIOBTCXFYHDYHT-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1ccc(F)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565409 1195269915 /nfs/dbraw/zinc/26/99/15/1195269915.db2.gz QPAIWBSEGXKOBB-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565409 1195269923 /nfs/dbraw/zinc/26/99/23/1195269923.db2.gz QPAIWBSEGXKOBB-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565409 1195269931 /nfs/dbraw/zinc/26/99/31/1195269931.db2.gz QPAIWBSEGXKOBB-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083565409 1195269936 /nfs/dbraw/zinc/26/99/36/1195269936.db2.gz QPAIWBSEGXKOBB-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CC1 ZINC001218958666 1224272408 /nfs/dbraw/zinc/27/24/08/1224272408.db2.gz IBNHYFVSFZATDA-RCCFBDPRSA-N 2 2 362.474 0.689 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CC1 ZINC001218958666 1224272412 /nfs/dbraw/zinc/27/24/12/1224272412.db2.gz IBNHYFVSFZATDA-RCCFBDPRSA-N 2 2 362.474 0.689 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237117 1195338434 /nfs/dbraw/zinc/33/84/34/1195338434.db2.gz YNSUXAZKPFLRFH-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237117 1195338441 /nfs/dbraw/zinc/33/84/41/1195338441.db2.gz YNSUXAZKPFLRFH-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001077237117 1195338445 /nfs/dbraw/zinc/33/84/45/1195338445.db2.gz YNSUXAZKPFLRFH-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001077237117 1195338451 /nfs/dbraw/zinc/33/84/51/1195338451.db2.gz YNSUXAZKPFLRFH-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC001077299698 1195398648 /nfs/dbraw/zinc/39/86/48/1195398648.db2.gz NPFOJKYQIYKMRH-QZTJIDSGSA-N 2 2 359.470 0.985 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC001077299698 1195398654 /nfs/dbraw/zinc/39/86/54/1195398654.db2.gz NPFOJKYQIYKMRH-QZTJIDSGSA-N 2 2 359.470 0.985 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]21 ZINC001219002849 1224282778 /nfs/dbraw/zinc/28/27/78/1224282778.db2.gz GMRNNNMHWGRPNC-ZWKOTPCHSA-N 2 2 363.506 0.872 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3cn(C)nc3C)C[C@@H]21 ZINC001219002849 1224282785 /nfs/dbraw/zinc/28/27/85/1224282785.db2.gz GMRNNNMHWGRPNC-ZWKOTPCHSA-N 2 2 363.506 0.872 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]21 ZINC001219002849 1224282795 /nfs/dbraw/zinc/28/27/95/1224282795.db2.gz GMRNNNMHWGRPNC-ZWKOTPCHSA-N 2 2 363.506 0.872 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]21 ZINC001219002849 1224282801 /nfs/dbraw/zinc/28/28/01/1224282801.db2.gz GMRNNNMHWGRPNC-ZWKOTPCHSA-N 2 2 363.506 0.872 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001077394771 1195491428 /nfs/dbraw/zinc/49/14/28/1195491428.db2.gz CMUJCQKPNNZAFM-HUUCEWRRSA-N 2 2 361.446 0.802 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001077394771 1195491433 /nfs/dbraw/zinc/49/14/33/1195491433.db2.gz CMUJCQKPNNZAFM-HUUCEWRRSA-N 2 2 361.446 0.802 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1C ZINC001077395121 1195493254 /nfs/dbraw/zinc/49/32/54/1195493254.db2.gz VAURNQXNOAVMQK-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1C ZINC001077395121 1195493262 /nfs/dbraw/zinc/49/32/62/1195493262.db2.gz VAURNQXNOAVMQK-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583664 1195540648 /nfs/dbraw/zinc/54/06/48/1195540648.db2.gz NHWCCCPYKZAZAD-QRQLOZEOSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583664 1195540649 /nfs/dbraw/zinc/54/06/49/1195540649.db2.gz NHWCCCPYKZAZAD-QRQLOZEOSA-N 2 2 354.454 0.850 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C[C@]1(O)CCOC1 ZINC000905233048 1195578413 /nfs/dbraw/zinc/57/84/13/1195578413.db2.gz PYPQEWMVKZEGLT-SLFFLAALSA-N 2 2 364.486 0.770 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@]1(O)CCOC1 ZINC000905233048 1195578423 /nfs/dbraw/zinc/57/84/23/1195578423.db2.gz PYPQEWMVKZEGLT-SLFFLAALSA-N 2 2 364.486 0.770 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000910831830 1195850989 /nfs/dbraw/zinc/85/09/89/1195850989.db2.gz ZIRFBKIJVBUXBB-MRXNPFEDSA-N 2 2 370.457 0.864 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911368869 1195949774 /nfs/dbraw/zinc/94/97/74/1195949774.db2.gz UWJGBVWIHZQAGF-KSZLIROESA-N 2 2 367.453 0.809 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052078 1224318604 /nfs/dbraw/zinc/31/86/04/1224318604.db2.gz DAHZWNBFYGZZPB-YESZJQIVSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052078 1224318611 /nfs/dbraw/zinc/31/86/11/1224318611.db2.gz DAHZWNBFYGZZPB-YESZJQIVSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052078 1224318618 /nfs/dbraw/zinc/31/86/18/1224318618.db2.gz DAHZWNBFYGZZPB-YESZJQIVSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052078 1224318628 /nfs/dbraw/zinc/31/86/28/1224318628.db2.gz DAHZWNBFYGZZPB-YESZJQIVSA-N 2 2 368.522 0.543 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000912538423 1196350014 /nfs/dbraw/zinc/35/00/14/1196350014.db2.gz TWAHMLXRSDOEGY-MRXNPFEDSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000912538423 1196350019 /nfs/dbraw/zinc/35/00/19/1196350019.db2.gz TWAHMLXRSDOEGY-MRXNPFEDSA-N 2 2 367.490 0.585 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)c3ccccc3CC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001083667560 1196386363 /nfs/dbraw/zinc/38/63/63/1196386363.db2.gz YAGXWLTYCRNDNQ-MOPGFXCFSA-N 2 2 371.485 0.499 20 0 FCADLP 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CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085255094 1197758426 /nfs/dbraw/zinc/75/84/26/1197758426.db2.gz NITSRKJPDLJRPZ-BZUAXINKSA-N 2 2 363.510 0.848 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)nc1=O ZINC001085275297 1197783383 /nfs/dbraw/zinc/78/33/83/1197783383.db2.gz YWZVQXXOJOOGME-HUUCEWRRSA-N 2 2 369.429 0.587 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993070071 1197784430 /nfs/dbraw/zinc/78/44/30/1197784430.db2.gz CNGIAHUHSKYAEG-OGWOLHLISA-N 2 2 361.490 0.908 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725722 1197809525 /nfs/dbraw/zinc/80/95/25/1197809525.db2.gz MNRSAVIMULRXJA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725722 1197809528 /nfs/dbraw/zinc/80/95/28/1197809528.db2.gz MNRSAVIMULRXJA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725722 1197809529 /nfs/dbraw/zinc/80/95/29/1197809529.db2.gz MNRSAVIMULRXJA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725722 1197809531 /nfs/dbraw/zinc/80/95/31/1197809531.db2.gz MNRSAVIMULRXJA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1)C(N)=O ZINC001085351074 1197838439 /nfs/dbraw/zinc/83/84/39/1197838439.db2.gz OFZXWCGVEXNBKK-ARFHVFGLSA-N 2 2 366.506 0.522 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993134008 1197853874 /nfs/dbraw/zinc/85/38/74/1197853874.db2.gz IEXDSYZEXAOFHN-APWZRJJASA-N 2 2 370.457 0.785 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106308846 1197861135 /nfs/dbraw/zinc/86/11/35/1197861135.db2.gz DRAIFEGUSJVNDD-IJEWVQPXSA-N 2 2 362.474 0.794 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001085394571 1197863294 /nfs/dbraw/zinc/86/32/94/1197863294.db2.gz SAUXAAVQNZKHRW-USXIJHARSA-N 2 2 361.490 0.896 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106339791 1197870011 /nfs/dbraw/zinc/87/00/11/1197870011.db2.gz AMHLEGJKWWNLTA-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343268 1197871978 /nfs/dbraw/zinc/87/19/78/1197871978.db2.gz WZXROZINMDZYQT-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)n1 ZINC001085422705 1197887996 /nfs/dbraw/zinc/88/79/96/1197887996.db2.gz CQQIRQAMBBITFM-HUUCEWRRSA-N 2 2 365.478 0.871 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1)[NH+](C)C ZINC000993153795 1197892911 /nfs/dbraw/zinc/89/29/11/1197892911.db2.gz CPUNQMOXSPENGW-ZSZQSSIHSA-N 2 2 361.490 0.610 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC000993158307 1197903604 /nfs/dbraw/zinc/90/36/04/1197903604.db2.gz UHHPVKGDBKLQQN-HNAYVOBHSA-N 2 2 370.457 0.475 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC001085438472 1197908921 /nfs/dbraw/zinc/90/89/21/1197908921.db2.gz PIAIMEUEFUQIFM-ZIAGYGMSSA-N 2 2 359.434 0.222 20 0 FCADLP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461840 1197943697 /nfs/dbraw/zinc/94/36/97/1197943697.db2.gz OWHWLQMXAZFGJA-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498617 1197978552 /nfs/dbraw/zinc/97/85/52/1197978552.db2.gz GZSDFGHSGSQJJY-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085671530 1197980097 /nfs/dbraw/zinc/98/00/97/1197980097.db2.gz ZOOWBXDBZFBBFU-KBRIMQKVSA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085671530 1197980107 /nfs/dbraw/zinc/98/01/07/1197980107.db2.gz ZOOWBXDBZFBBFU-KBRIMQKVSA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085671530 1197980114 /nfs/dbraw/zinc/98/01/14/1197980114.db2.gz ZOOWBXDBZFBBFU-KBRIMQKVSA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085671530 1197980119 /nfs/dbraw/zinc/98/01/19/1197980119.db2.gz ZOOWBXDBZFBBFU-KBRIMQKVSA-N 2 2 364.494 0.147 20 0 FCADLP CC(C)N1C(=O)C(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738111749 1197991580 /nfs/dbraw/zinc/99/15/80/1197991580.db2.gz PRHXTRCDAKXVLX-UHFFFAOYSA-N 2 2 366.462 0.577 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273386217 1198087014 /nfs/dbraw/zinc/08/70/14/1198087014.db2.gz ZRQFCBVVVXRVGA-QFBILLFUSA-N 2 2 359.474 0.817 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273386217 1198087024 /nfs/dbraw/zinc/08/70/24/1198087024.db2.gz ZRQFCBVVVXRVGA-QFBILLFUSA-N 2 2 359.474 0.817 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086119825 1198177288 /nfs/dbraw/zinc/17/72/88/1198177288.db2.gz BDHSUPHQCUKBKN-JJAZEVLHSA-N 2 2 364.494 0.310 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086119825 1198177306 /nfs/dbraw/zinc/17/73/06/1198177306.db2.gz BDHSUPHQCUKBKN-JJAZEVLHSA-N 2 2 364.494 0.310 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120513 1198182895 /nfs/dbraw/zinc/18/28/95/1198182895.db2.gz BKVOMCRRMAOLAG-APIJFGDWSA-N 2 2 364.494 0.632 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120513 1198182909 /nfs/dbraw/zinc/18/29/09/1198182909.db2.gz BKVOMCRRMAOLAG-APIJFGDWSA-N 2 2 364.494 0.632 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001006285545 1198184852 /nfs/dbraw/zinc/18/48/52/1198184852.db2.gz IXNZYBZRNQKJBM-SRABZTEZSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001006285545 1198184860 /nfs/dbraw/zinc/18/48/60/1198184860.db2.gz IXNZYBZRNQKJBM-SRABZTEZSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nncn1C ZINC001086201311 1198249225 /nfs/dbraw/zinc/24/92/25/1198249225.db2.gz UALSMCPJPNQLQQ-VQJWOFKYSA-N 2 2 357.462 0.898 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086201089 1198249715 /nfs/dbraw/zinc/24/97/15/1198249715.db2.gz HWKRWQREZITILB-QKPAOTATSA-N 2 2 359.474 0.630 20 0 FCADLP CC(C)N1C(=O)C(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744441658 1198315629 /nfs/dbraw/zinc/31/56/29/1198315629.db2.gz RKJQCRGXYGUCOS-UHFFFAOYSA-N 2 2 366.462 0.720 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001086371726 1198334200 /nfs/dbraw/zinc/33/42/00/1198334200.db2.gz UPUVCFPWTROAMX-KBUPBQIOSA-N 2 2 363.510 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001086371726 1198334213 /nfs/dbraw/zinc/33/42/13/1198334213.db2.gz UPUVCFPWTROAMX-KBUPBQIOSA-N 2 2 363.510 0.753 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400798 1198356830 /nfs/dbraw/zinc/35/68/30/1198356830.db2.gz XWTDUDTZDUHGRW-DTZQCDIJSA-N 2 2 364.494 0.310 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400798 1198356833 /nfs/dbraw/zinc/35/68/33/1198356833.db2.gz XWTDUDTZDUHGRW-DTZQCDIJSA-N 2 2 364.494 0.310 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498348 1224488137 /nfs/dbraw/zinc/48/81/37/1224488137.db2.gz WTMJCOMIAZWEOK-SGTLLEGYSA-N 3 2 370.413 0.110 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)Nc1cccc3c1[C@H]1C[NH2+]C[C@H]1O3)C[NH2+]C2 ZINC001219533673 1224500497 /nfs/dbraw/zinc/50/04/97/1224500497.db2.gz NSSUDZOGAFRXRT-FIXISWKDSA-N 2 2 354.414 0.571 20 0 FCADLP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)c1 ZINC001219552795 1224506931 /nfs/dbraw/zinc/50/69/31/1224506931.db2.gz JSICLPXBZVFIBH-SJORKVTESA-N 2 2 358.442 0.891 20 0 FCADLP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)c1 ZINC001219552795 1224506935 /nfs/dbraw/zinc/50/69/35/1224506935.db2.gz JSICLPXBZVFIBH-SJORKVTESA-N 2 2 358.442 0.891 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219552822 1224506962 /nfs/dbraw/zinc/50/69/62/1224506962.db2.gz KPYGIBBFKZUIHU-OAGGEKHMSA-N 2 2 362.405 0.376 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219552822 1224506970 /nfs/dbraw/zinc/50/69/70/1224506970.db2.gz KPYGIBBFKZUIHU-OAGGEKHMSA-N 2 2 362.405 0.376 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCc1cncc(C(F)(F)F)c1 ZINC001219575174 1224515101 /nfs/dbraw/zinc/51/51/01/1224515101.db2.gz CJGNREYEQVWIOI-HNNXBMFYSA-N 2 2 373.423 0.900 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129370710 1199132030 /nfs/dbraw/zinc/13/20/30/1199132030.db2.gz YREZQOFIAXKQTR-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129370710 1199132032 /nfs/dbraw/zinc/13/20/32/1199132032.db2.gz YREZQOFIAXKQTR-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129370710 1199132034 /nfs/dbraw/zinc/13/20/34/1199132034.db2.gz YREZQOFIAXKQTR-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129370710 1199132036 /nfs/dbraw/zinc/13/20/36/1199132036.db2.gz YREZQOFIAXKQTR-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001219649942 1224546324 /nfs/dbraw/zinc/54/63/24/1224546324.db2.gz QUYSIXNRDVMTLD-VQHPVUNQSA-N 2 2 362.474 0.352 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001219649942 1224546334 /nfs/dbraw/zinc/54/63/34/1224546334.db2.gz QUYSIXNRDVMTLD-VQHPVUNQSA-N 2 2 362.474 0.352 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)C[NH2+]C1 ZINC001219722846 1224577022 /nfs/dbraw/zinc/57/70/22/1224577022.db2.gz GAHSXXZTDOVWTJ-QGZVFWFLSA-N 3 2 360.477 0.916 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)C[NH2+]C1 ZINC001219722846 1224577027 /nfs/dbraw/zinc/57/70/27/1224577027.db2.gz GAHSXXZTDOVWTJ-QGZVFWFLSA-N 3 2 360.477 0.916 20 0 FCADLP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC21CC[NH2+]CC1 ZINC001219751460 1224595699 /nfs/dbraw/zinc/59/56/99/1224595699.db2.gz SJUNRNQCDZXYFV-LSDHHAIUSA-N 2 2 355.446 0.260 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001109653522 1200445446 /nfs/dbraw/zinc/44/54/46/1200445446.db2.gz VUJBETKMNAVFLJ-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001109653522 1200445451 /nfs/dbraw/zinc/44/54/51/1200445451.db2.gz VUJBETKMNAVFLJ-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109723215 1200480910 /nfs/dbraw/zinc/48/09/10/1200480910.db2.gz ZWKPYALTTVNIFF-LMSBXDPUSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109723215 1200480915 /nfs/dbraw/zinc/48/09/15/1200480915.db2.gz ZWKPYALTTVNIFF-LMSBXDPUSA-N 2 2 373.501 0.954 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843675 1200558332 /nfs/dbraw/zinc/55/83/32/1200558332.db2.gz XDQWQKKJHBITIM-IKGGRYGDSA-N 2 2 366.506 0.347 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843675 1200558338 /nfs/dbraw/zinc/55/83/38/1200558338.db2.gz XDQWQKKJHBITIM-IKGGRYGDSA-N 2 2 366.506 0.347 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849279 1200562259 /nfs/dbraw/zinc/56/22/59/1200562259.db2.gz LGNYPGALHLIRSY-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849279 1200562266 /nfs/dbraw/zinc/56/22/66/1200562266.db2.gz LGNYPGALHLIRSY-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975965 1200657633 /nfs/dbraw/zinc/65/76/33/1200657633.db2.gz MCKWTOKIIMIGON-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975965 1200657634 /nfs/dbraw/zinc/65/76/34/1200657634.db2.gz MCKWTOKIIMIGON-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975965 1200657639 /nfs/dbraw/zinc/65/76/39/1200657639.db2.gz MCKWTOKIIMIGON-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975965 1200657641 /nfs/dbraw/zinc/65/76/41/1200657641.db2.gz MCKWTOKIIMIGON-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219806118 1224625684 /nfs/dbraw/zinc/62/56/84/1224625684.db2.gz KPCZUDIUKLYVQE-INIZCTEOSA-N 2 2 353.426 0.067 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001110014946 1200704655 /nfs/dbraw/zinc/70/46/55/1200704655.db2.gz PRVPFUOOLWHXCM-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001110014946 1200704671 /nfs/dbraw/zinc/70/46/71/1200704671.db2.gz PRVPFUOOLWHXCM-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001110014946 1200704677 /nfs/dbraw/zinc/70/46/77/1200704677.db2.gz PRVPFUOOLWHXCM-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001110014946 1200704682 /nfs/dbraw/zinc/70/46/82/1200704682.db2.gz PRVPFUOOLWHXCM-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110051847 1200737572 /nfs/dbraw/zinc/73/75/72/1200737572.db2.gz CDJIAZWWFDCVQM-BGTYHANMSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110051847 1200737573 /nfs/dbraw/zinc/73/75/73/1200737573.db2.gz CDJIAZWWFDCVQM-BGTYHANMSA-N 2 2 372.473 0.332 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)n1 ZINC001110053496 1200739428 /nfs/dbraw/zinc/73/94/28/1200739428.db2.gz IXDILKJZHPALOI-NJAFHUGGSA-N 2 2 371.489 0.983 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)n1 ZINC001110053496 1200739434 /nfs/dbraw/zinc/73/94/34/1200739434.db2.gz IXDILKJZHPALOI-NJAFHUGGSA-N 2 2 371.489 0.983 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563266 1200796335 /nfs/dbraw/zinc/79/63/35/1200796335.db2.gz NSCWXGUEERBYID-KXBFYZLASA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815643 1224631903 /nfs/dbraw/zinc/63/19/03/1224631903.db2.gz CHPSJWFXBYJZGQ-XKQJLSEDSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815643 1224631908 /nfs/dbraw/zinc/63/19/08/1224631908.db2.gz CHPSJWFXBYJZGQ-XKQJLSEDSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815643 1224631911 /nfs/dbraw/zinc/63/19/11/1224631911.db2.gz CHPSJWFXBYJZGQ-XKQJLSEDSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815643 1224631916 /nfs/dbraw/zinc/63/19/16/1224631916.db2.gz CHPSJWFXBYJZGQ-XKQJLSEDSA-N 2 2 366.506 0.079 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000786459939 1200839651 /nfs/dbraw/zinc/83/96/51/1200839651.db2.gz UZCUNYYYBCPUBH-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CN(C(=O)C(=O)NCc1cccn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000788335519 1200950902 /nfs/dbraw/zinc/95/09/02/1200950902.db2.gz MJDMBLSNTNNUJT-QGZVFWFLSA-N 2 2 361.490 0.268 20 0 FCADLP CN(C(=O)C(=O)NCc1cccn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000788335519 1200950910 /nfs/dbraw/zinc/95/09/10/1200950910.db2.gz MJDMBLSNTNNUJT-QGZVFWFLSA-N 2 2 361.490 0.268 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001090445334 1200986608 /nfs/dbraw/zinc/98/66/08/1200986608.db2.gz IAOCKEWPOYFRRJ-QZTJIDSGSA-N 2 2 369.469 0.891 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001090445334 1200986623 /nfs/dbraw/zinc/98/66/23/1200986623.db2.gz IAOCKEWPOYFRRJ-QZTJIDSGSA-N 2 2 369.469 0.891 20 0 FCADLP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1nnnn1C1CC1)c1nnnn1C1CC1 ZINC000792472193 1201194818 /nfs/dbraw/zinc/19/48/18/1201194818.db2.gz CRAUEXCZNZKPSA-ROUHBEFFSA-N 2 2 358.454 0.887 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609706 1201217120 /nfs/dbraw/zinc/21/71/20/1201217120.db2.gz TZVUJDCAXZFLFI-BPQIPLTHSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609706 1201217123 /nfs/dbraw/zinc/21/71/23/1201217123.db2.gz TZVUJDCAXZFLFI-BPQIPLTHSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001086609706 1201217129 /nfs/dbraw/zinc/21/71/29/1201217129.db2.gz TZVUJDCAXZFLFI-BPQIPLTHSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001086609706 1201217136 /nfs/dbraw/zinc/21/71/36/1201217136.db2.gz TZVUJDCAXZFLFI-BPQIPLTHSA-N 2 2 358.486 0.658 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CC1 ZINC001219864316 1224660786 /nfs/dbraw/zinc/66/07/86/1224660786.db2.gz NEEFAUNWVHSXSC-IXDOHACOSA-N 2 2 364.490 0.903 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CC1 ZINC001219864316 1224660793 /nfs/dbraw/zinc/66/07/93/1224660793.db2.gz NEEFAUNWVHSXSC-IXDOHACOSA-N 2 2 364.490 0.903 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001110101619 1201266251 /nfs/dbraw/zinc/26/62/51/1201266251.db2.gz WZWGDWDJGSWOST-FSDCSDTHSA-N 2 2 360.458 0.569 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001110101619 1201266257 /nfs/dbraw/zinc/26/62/57/1201266257.db2.gz WZWGDWDJGSWOST-FSDCSDTHSA-N 2 2 360.458 0.569 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)C1 ZINC001110101619 1201266261 /nfs/dbraw/zinc/26/62/61/1201266261.db2.gz WZWGDWDJGSWOST-FSDCSDTHSA-N 2 2 360.458 0.569 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)C1 ZINC001110101619 1201266265 /nfs/dbraw/zinc/26/62/65/1201266265.db2.gz WZWGDWDJGSWOST-FSDCSDTHSA-N 2 2 360.458 0.569 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129403767 1201308232 /nfs/dbraw/zinc/30/82/32/1201308232.db2.gz ILZVSOTZJZKUKF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129403767 1201308238 /nfs/dbraw/zinc/30/82/38/1201308238.db2.gz ILZVSOTZJZKUKF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129403767 1201308248 /nfs/dbraw/zinc/30/82/48/1201308248.db2.gz ILZVSOTZJZKUKF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129403767 1201308252 /nfs/dbraw/zinc/30/82/52/1201308252.db2.gz ILZVSOTZJZKUKF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O)[NH+](C)C ZINC001219875076 1224667018 /nfs/dbraw/zinc/66/70/18/1224667018.db2.gz OYLOGZWIGFZYCL-OAGGEKHMSA-N 2 2 363.458 0.459 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O)[NH+](C)C ZINC001219875076 1224667025 /nfs/dbraw/zinc/66/70/25/1224667025.db2.gz OYLOGZWIGFZYCL-OAGGEKHMSA-N 2 2 363.458 0.459 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896678 1224673163 /nfs/dbraw/zinc/67/31/63/1224673163.db2.gz CYTZEXJHGYKLHP-BMFZPTHFSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896678 1224673168 /nfs/dbraw/zinc/67/31/68/1224673168.db2.gz CYTZEXJHGYKLHP-BMFZPTHFSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219896678 1224673170 /nfs/dbraw/zinc/67/31/70/1224673170.db2.gz CYTZEXJHGYKLHP-BMFZPTHFSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219896678 1224673172 /nfs/dbraw/zinc/67/31/72/1224673172.db2.gz CYTZEXJHGYKLHP-BMFZPTHFSA-N 2 2 370.538 0.571 20 0 FCADLP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941083 1201439470 /nfs/dbraw/zinc/43/94/70/1201439470.db2.gz IVIZOQABIQTJJS-ZNMIVQPWSA-N 2 2 363.441 0.734 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918561 1201441069 /nfs/dbraw/zinc/44/10/69/1201441069.db2.gz DOOINUXUBOMZRX-UAGQMJEPSA-N 2 2 357.462 0.879 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930750 1201447061 /nfs/dbraw/zinc/44/70/61/1201447061.db2.gz RZWHKKFOBATLIF-HIFRSBDPSA-N 2 2 355.402 0.228 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130056990 1201484423 /nfs/dbraw/zinc/48/44/23/1201484423.db2.gz DEEHUPUUNFGBTA-CABCVRRESA-N 2 2 359.434 0.155 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001219906343 1224677287 /nfs/dbraw/zinc/67/72/87/1224677287.db2.gz KXFKKEYIYKTFEZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001219906343 1224677289 /nfs/dbraw/zinc/67/72/89/1224677289.db2.gz KXFKKEYIYKTFEZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001219906343 1224677292 /nfs/dbraw/zinc/67/72/92/1224677292.db2.gz KXFKKEYIYKTFEZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001219906343 1224677295 /nfs/dbraw/zinc/67/72/95/1224677295.db2.gz KXFKKEYIYKTFEZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908502 1224678183 /nfs/dbraw/zinc/67/81/83/1224678183.db2.gz IORKQCNXYFKBAC-JQHSSLGASA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908502 1224678186 /nfs/dbraw/zinc/67/81/86/1224678186.db2.gz IORKQCNXYFKBAC-JQHSSLGASA-N 2 2 364.490 0.670 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)n2C2CC2)O1 ZINC001130182753 1201534444 /nfs/dbraw/zinc/53/44/44/1201534444.db2.gz WHNFXLIIPZCGSS-IUODEOHRSA-N 2 2 362.478 0.415 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)n2C2CC2)O1 ZINC001130182753 1201534447 /nfs/dbraw/zinc/53/44/47/1201534447.db2.gz WHNFXLIIPZCGSS-IUODEOHRSA-N 2 2 362.478 0.415 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)C1CC1 ZINC001130220595 1201547694 /nfs/dbraw/zinc/54/76/94/1201547694.db2.gz FYHZKKJTNFVJSB-KCQAQPDRSA-N 2 2 368.457 0.193 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130223129 1201552650 /nfs/dbraw/zinc/55/26/50/1201552650.db2.gz NIJWPXPCKOSWES-STQMWFEESA-N 2 2 365.413 0.058 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130223129 1201552654 /nfs/dbraw/zinc/55/26/54/1201552654.db2.gz NIJWPXPCKOSWES-STQMWFEESA-N 2 2 365.413 0.058 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cc[nH+]c2C)n1 ZINC001130249015 1201568542 /nfs/dbraw/zinc/56/85/42/1201568542.db2.gz FTPYKOCPPOHFSJ-KBPBESRZSA-N 2 2 361.450 0.498 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001130249015 1201568544 /nfs/dbraw/zinc/56/85/44/1201568544.db2.gz FTPYKOCPPOHFSJ-KBPBESRZSA-N 2 2 361.450 0.498 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940910 1224692106 /nfs/dbraw/zinc/69/21/06/1224692106.db2.gz IDBRGILUCGKQKH-QUCCMNQESA-N 3 2 373.545 0.765 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940910 1224692109 /nfs/dbraw/zinc/69/21/09/1224692109.db2.gz IDBRGILUCGKQKH-QUCCMNQESA-N 3 2 373.545 0.765 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219943978 1224693298 /nfs/dbraw/zinc/69/32/98/1224693298.db2.gz IJQOEAAWQXIYSX-XHSDSOJGSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219943978 1224693299 /nfs/dbraw/zinc/69/32/99/1224693299.db2.gz IJQOEAAWQXIYSX-XHSDSOJGSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1c[nH]c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)[nH+]1 ZINC001219951781 1224697400 /nfs/dbraw/zinc/69/74/00/1224697400.db2.gz AUVXFFOFQZONMV-IRXDYDNUSA-N 2 2 369.469 0.856 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCCC1 ZINC001220051851 1224738788 /nfs/dbraw/zinc/73/87/88/1224738788.db2.gz NRALXAJTZIGCNA-IXDOHACOSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCCC1 ZINC001220051851 1224738792 /nfs/dbraw/zinc/73/87/92/1224738792.db2.gz NRALXAJTZIGCNA-IXDOHACOSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719214 1202765831 /nfs/dbraw/zinc/76/58/31/1202765831.db2.gz DDPSHDWANRQMKC-RVSPLBMKSA-N 2 2 360.462 0.613 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCCO ZINC001131117561 1202865144 /nfs/dbraw/zinc/86/51/44/1202865144.db2.gz DHZYDMGIHFAQGZ-HZPDHXFCSA-N 2 2 360.462 0.053 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001086659712 1202873017 /nfs/dbraw/zinc/87/30/17/1202873017.db2.gz HZUQMXKCHPYFKQ-RRFJBIMHSA-N 2 2 363.510 0.897 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001086659712 1202873020 /nfs/dbraw/zinc/87/30/20/1202873020.db2.gz HZUQMXKCHPYFKQ-RRFJBIMHSA-N 2 2 363.510 0.897 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131573323 1202915762 /nfs/dbraw/zinc/91/57/62/1202915762.db2.gz XBUXLEKJAUTRIE-MJEQTWJJSA-N 2 2 363.462 0.072 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001131610569 1202921195 /nfs/dbraw/zinc/92/11/95/1202921195.db2.gz WYVTUJWTAOIMIU-QAPCUYQASA-N 2 2 363.462 0.134 20 0 FCADLP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000811761117 1202972940 /nfs/dbraw/zinc/97/29/40/1202972940.db2.gz ZWLVAIRQANGMAA-QGZVFWFLSA-N 2 2 365.434 0.735 20 0 FCADLP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000811761117 1202972944 /nfs/dbraw/zinc/97/29/44/1202972944.db2.gz ZWLVAIRQANGMAA-QGZVFWFLSA-N 2 2 365.434 0.735 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086698826 1202973790 /nfs/dbraw/zinc/97/37/90/1202973790.db2.gz BXUHADUOHCYWFN-QKPAOTATSA-N 2 2 359.474 0.514 20 0 FCADLP COc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049894 1203011388 /nfs/dbraw/zinc/01/13/88/1203011388.db2.gz SXANEVUZKCQRFT-ZIAGYGMSSA-N 2 2 371.441 0.877 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134046286 1203011418 /nfs/dbraw/zinc/01/14/18/1203011418.db2.gz XRLCOJUOPFDCHJ-HUUCEWRRSA-N 2 2 359.430 0.481 20 0 FCADLP Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001134045749 1203011663 /nfs/dbraw/zinc/01/16/63/1203011663.db2.gz OXVPZCNFIZZRQH-IAGOWNOFSA-N 2 2 369.469 0.854 20 0 FCADLP CC1(C)[C@@H]2C[C@@H](n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)C[C@@H]21 ZINC001170737320 1203018092 /nfs/dbraw/zinc/01/80/92/1203018092.db2.gz XRQKYKRHHHCWEY-SLZITWOASA-N 2 2 359.474 0.836 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)N1CCC1 ZINC001086736550 1203062526 /nfs/dbraw/zinc/06/25/26/1203062526.db2.gz UTPGLIJPPHXRQW-ARFHVFGLSA-N 2 2 359.474 0.552 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001086737310 1203063480 /nfs/dbraw/zinc/06/34/80/1203063480.db2.gz FLIBPFYKEMGTNX-ARFHVFGLSA-N 2 2 357.462 0.612 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C[NH+](C)C)on3)C2)nn1 ZINC001086739292 1203065539 /nfs/dbraw/zinc/06/55/39/1203065539.db2.gz RZQNZDHHIUMWQE-QWHCGFSZSA-N 2 2 361.450 0.553 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn4c[nH+]cc4c3)C2)nc1=O ZINC001086746913 1203070680 /nfs/dbraw/zinc/07/06/80/1203070680.db2.gz XRWSSYBVYFQHDN-GXTWGEPZSA-N 2 2 369.429 0.444 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@@H](C(=O)OC)CC3=O)CC2)CC1 ZINC000817373845 1203102517 /nfs/dbraw/zinc/10/25/17/1203102517.db2.gz RXGDOKORYKKUKA-INIZCTEOSA-N 2 2 366.506 0.457 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@@H](C(=O)OC)CC3=O)CC2)CC1 ZINC000817373845 1203102520 /nfs/dbraw/zinc/10/25/20/1203102520.db2.gz RXGDOKORYKKUKA-INIZCTEOSA-N 2 2 366.506 0.457 20 0 FCADLP C[C@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296593 1203183060 /nfs/dbraw/zinc/18/30/60/1203183060.db2.gz WGWPABCXCDKGNR-GJZGRUSLSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296593 1203183062 /nfs/dbraw/zinc/18/30/62/1203183062.db2.gz WGWPABCXCDKGNR-GJZGRUSLSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296593 1203183068 /nfs/dbraw/zinc/18/30/68/1203183068.db2.gz WGWPABCXCDKGNR-GJZGRUSLSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296593 1203183078 /nfs/dbraw/zinc/18/30/78/1203183078.db2.gz WGWPABCXCDKGNR-GJZGRUSLSA-N 2 2 361.490 0.496 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCN(C)C(=O)OC)CC2)CC1 ZINC000822772828 1203237594 /nfs/dbraw/zinc/23/75/94/1203237594.db2.gz YRFQMCGHJBTOSB-UHFFFAOYSA-N 2 2 369.510 0.886 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCN(C)C(=O)OC)CC2)CC1 ZINC000822772828 1203237601 /nfs/dbraw/zinc/23/76/01/1203237601.db2.gz YRFQMCGHJBTOSB-UHFFFAOYSA-N 2 2 369.510 0.886 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001110107244 1203273938 /nfs/dbraw/zinc/27/39/38/1203273938.db2.gz APZJGEFTYXCOEQ-MVJTYMMSSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001110107244 1203273946 /nfs/dbraw/zinc/27/39/46/1203273946.db2.gz APZJGEFTYXCOEQ-MVJTYMMSSA-N 2 2 361.490 0.610 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cn4ccccc4n3)CC[C@@H]2C1 ZINC001136878315 1203294522 /nfs/dbraw/zinc/29/45/22/1203294522.db2.gz UDNTZGDZNCWBSH-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cn4ccccc4n3)CC[C@@H]2C1 ZINC001136878315 1203294526 /nfs/dbraw/zinc/29/45/26/1203294526.db2.gz UDNTZGDZNCWBSH-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cn4ccccc4n3)CC[C@@H]2C1 ZINC001136878315 1203294530 /nfs/dbraw/zinc/29/45/30/1203294530.db2.gz UDNTZGDZNCWBSH-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cn4ccccc4n3)CC[C@@H]2C1 ZINC001136878315 1203294532 /nfs/dbraw/zinc/29/45/32/1203294532.db2.gz UDNTZGDZNCWBSH-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP O=C([C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663814 1203319226 /nfs/dbraw/zinc/31/92/26/1203319226.db2.gz ICFBGXHJZSYRCS-UXHICEINSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663814 1203319230 /nfs/dbraw/zinc/31/92/30/1203319230.db2.gz ICFBGXHJZSYRCS-UXHICEINSA-N 2 2 373.497 0.945 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1OC ZINC001090896009 1203337144 /nfs/dbraw/zinc/33/71/44/1203337144.db2.gz LWWKCDANHGHPMT-ZIAGYGMSSA-N 2 2 361.450 0.025 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220189074 1224798002 /nfs/dbraw/zinc/79/80/02/1224798002.db2.gz LDUYLWZPSKPDAX-TUKIKUTGSA-N 2 2 364.396 0.460 20 0 FCADLP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220186263 1224797014 /nfs/dbraw/zinc/79/70/14/1224797014.db2.gz OBJNYTLWMUKFJO-UKRRQHHQSA-N 2 2 364.396 0.910 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237873 1224812365 /nfs/dbraw/zinc/81/23/65/1224812365.db2.gz GTMWRNNCTGZVHP-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237873 1224812366 /nfs/dbraw/zinc/81/23/66/1224812366.db2.gz GTMWRNNCTGZVHP-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H]1O ZINC001220275024 1224818812 /nfs/dbraw/zinc/81/88/12/1224818812.db2.gz MHWYJQXPKGDIHP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H]1O ZINC001220275024 1224818814 /nfs/dbraw/zinc/81/88/14/1224818814.db2.gz MHWYJQXPKGDIHP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001220289698 1224821601 /nfs/dbraw/zinc/82/16/01/1224821601.db2.gz ATHHIKCWEMEREW-SOLBZPMBSA-N 2 2 367.465 0.952 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001220289698 1224821603 /nfs/dbraw/zinc/82/16/03/1224821603.db2.gz ATHHIKCWEMEREW-SOLBZPMBSA-N 2 2 367.465 0.952 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001091175923 1204571606 /nfs/dbraw/zinc/57/16/06/1204571606.db2.gz YOAAEZZIIDWHEM-CABCVRRESA-N 2 2 361.490 0.916 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@@H]1O)C2 ZINC001220355164 1224839937 /nfs/dbraw/zinc/83/99/37/1224839937.db2.gz FXJLFJDXDAQHNY-NXHRZFHOSA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@@H]1O)C2 ZINC001220355164 1224839939 /nfs/dbraw/zinc/83/99/39/1224839939.db2.gz FXJLFJDXDAQHNY-NXHRZFHOSA-N 2 2 362.474 0.342 20 0 FCADLP CCn1cc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001091240229 1204630718 /nfs/dbraw/zinc/63/07/18/1204630718.db2.gz ZJBXTENUBJJLAF-BCAXMMLOSA-N 2 2 357.462 0.820 20 0 FCADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115065 1204631713 /nfs/dbraw/zinc/63/17/13/1204631713.db2.gz NNHMUAKZRZFLSJ-ILXRZTDVSA-N 2 2 365.478 0.169 20 0 FCADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115065 1204631718 /nfs/dbraw/zinc/63/17/18/1204631718.db2.gz NNHMUAKZRZFLSJ-ILXRZTDVSA-N 2 2 365.478 0.169 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358124 1224842760 /nfs/dbraw/zinc/84/27/60/1224842760.db2.gz ZRYPFOACJSEKFE-XYPHTWIQSA-N 2 2 366.462 0.206 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358124 1224842761 /nfs/dbraw/zinc/84/27/61/1224842761.db2.gz ZRYPFOACJSEKFE-XYPHTWIQSA-N 2 2 366.462 0.206 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC001144944441 1204665017 /nfs/dbraw/zinc/66/50/17/1204665017.db2.gz NKWUAVCBJPQHRA-CVEARBPZSA-N 2 2 360.414 0.199 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855809 1204669818 /nfs/dbraw/zinc/66/98/18/1204669818.db2.gz LQCAOBCTJJORFF-JKSUJKDBSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855809 1204669822 /nfs/dbraw/zinc/66/98/22/1204669822.db2.gz LQCAOBCTJJORFF-JKSUJKDBSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855809 1204669829 /nfs/dbraw/zinc/66/98/29/1204669829.db2.gz LQCAOBCTJJORFF-JKSUJKDBSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855809 1204669832 /nfs/dbraw/zinc/66/98/32/1204669832.db2.gz LQCAOBCTJJORFF-JKSUJKDBSA-N 2 2 362.474 0.459 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000846878730 1204670539 /nfs/dbraw/zinc/67/05/39/1204670539.db2.gz RATLGFFZMSXEKG-CQSZACIVSA-N 2 2 364.450 0.221 20 0 FCADLP COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846878282 1204670749 /nfs/dbraw/zinc/67/07/49/1204670749.db2.gz OXWBYWHHRDZUHR-AWEZNQCLSA-N 2 2 362.430 0.989 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543511 1204707504 /nfs/dbraw/zinc/70/75/04/1204707504.db2.gz LRVJDTHDWWRZAP-GLJUWKHASA-N 2 2 361.446 0.488 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543511 1204707515 /nfs/dbraw/zinc/70/75/15/1204707515.db2.gz LRVJDTHDWWRZAP-GLJUWKHASA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543511 1204707520 /nfs/dbraw/zinc/70/75/20/1204707520.db2.gz LRVJDTHDWWRZAP-GLJUWKHASA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543511 1204707523 /nfs/dbraw/zinc/70/75/23/1204707523.db2.gz LRVJDTHDWWRZAP-GLJUWKHASA-N 2 2 361.446 0.488 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CCc3ccccc3)[C@@H](O)C2)cn1 ZINC001220372836 1224846066 /nfs/dbraw/zinc/84/60/66/1224846066.db2.gz MDJSDRANPZZGCY-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CCc3ccccc3)[C@@H](O)C2)cn1 ZINC001220372836 1224846071 /nfs/dbraw/zinc/84/60/71/1224846071.db2.gz MDJSDRANPZZGCY-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CCc3ccccc3)[C@@H](O)C2)cn1 ZINC001220372836 1224846073 /nfs/dbraw/zinc/84/60/73/1224846073.db2.gz MDJSDRANPZZGCY-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CCc3ccccc3)[C@@H](O)C2)cn1 ZINC001220372836 1224846075 /nfs/dbraw/zinc/84/60/75/1224846075.db2.gz MDJSDRANPZZGCY-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565446 1204725484 /nfs/dbraw/zinc/72/54/84/1204725484.db2.gz PLZWQHSRWOIXQG-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565446 1204725490 /nfs/dbraw/zinc/72/54/90/1204725490.db2.gz PLZWQHSRWOIXQG-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565446 1204725496 /nfs/dbraw/zinc/72/54/96/1204725496.db2.gz PLZWQHSRWOIXQG-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565446 1204725503 /nfs/dbraw/zinc/72/55/03/1204725503.db2.gz PLZWQHSRWOIXQG-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565572 1204726270 /nfs/dbraw/zinc/72/62/70/1204726270.db2.gz QSCZJRHMCOGVFW-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565572 1204726278 /nfs/dbraw/zinc/72/62/78/1204726278.db2.gz QSCZJRHMCOGVFW-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565572 1204726283 /nfs/dbraw/zinc/72/62/83/1204726283.db2.gz QSCZJRHMCOGVFW-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565572 1204726292 /nfs/dbraw/zinc/72/62/92/1204726292.db2.gz QSCZJRHMCOGVFW-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP COC(=O)C[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(=O)OC(C)(C)C ZINC001220382209 1224849685 /nfs/dbraw/zinc/84/96/85/1224849685.db2.gz SOYJRUZFDGUYLN-KBPBESRZSA-N 2 2 365.430 0.648 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298952 1204826216 /nfs/dbraw/zinc/82/62/16/1204826216.db2.gz YKATULOENQVJKM-HUUCEWRRSA-N 2 2 359.474 0.536 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298952 1204826217 /nfs/dbraw/zinc/82/62/17/1204826217.db2.gz YKATULOENQVJKM-HUUCEWRRSA-N 2 2 359.474 0.536 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1cc[nH+]c(N)c1 ZINC001273448729 1204847976 /nfs/dbraw/zinc/84/79/76/1204847976.db2.gz AUYUBKWRZCLSSQ-LJQANCHMSA-N 2 2 359.474 0.752 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)no1 ZINC001086880602 1204856274 /nfs/dbraw/zinc/85/62/74/1204856274.db2.gz HDUNWVMZENSSNZ-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)no1 ZINC001086880602 1204856277 /nfs/dbraw/zinc/85/62/77/1204856277.db2.gz HDUNWVMZENSSNZ-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2[NH2+]CCF)cn1 ZINC001086985116 1204879344 /nfs/dbraw/zinc/87/93/44/1204879344.db2.gz UYHYKXRURZFPOA-CWRNSKLLSA-N 2 2 360.437 0.733 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001086987946 1204881550 /nfs/dbraw/zinc/88/15/50/1204881550.db2.gz VXRMQJYOOMAZTP-JKSUJKDBSA-N 2 2 370.417 0.092 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087063284 1204950274 /nfs/dbraw/zinc/95/02/74/1204950274.db2.gz QOVYSKPYXSAQPR-FRFSOERESA-N 2 2 371.441 0.518 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087070929 1204957585 /nfs/dbraw/zinc/95/75/85/1204957585.db2.gz QFUPAXQBXDKYST-HUUCEWRRSA-N 2 2 361.450 0.055 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087088835 1204978091 /nfs/dbraw/zinc/97/80/91/1204978091.db2.gz OSOQSOIUKBFZHM-SQWLQELKSA-N 2 2 362.434 0.871 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087088834 1204978489 /nfs/dbraw/zinc/97/84/89/1204978489.db2.gz OSOQSOIUKBFZHM-IIAWOOMASA-N 2 2 362.434 0.871 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087103383 1205001188 /nfs/dbraw/zinc/00/11/88/1205001188.db2.gz BQUVSUJGZHAEFW-GDBMZVCRSA-N 2 2 361.450 0.148 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087096776 1205004221 /nfs/dbraw/zinc/00/42/21/1205004221.db2.gz DDWSJZQVEJZMNW-RHSMWYFYSA-N 2 2 361.446 0.912 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091798016 1205017326 /nfs/dbraw/zinc/01/73/26/1205017326.db2.gz HHXGJQZBLHMBFS-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091798016 1205017328 /nfs/dbraw/zinc/01/73/28/1205017328.db2.gz HHXGJQZBLHMBFS-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]1C[N@H+](CCF)C2 ZINC001091873670 1205060303 /nfs/dbraw/zinc/06/03/03/1205060303.db2.gz GAWLPBOTMQRUMT-VXNCWWDNSA-N 2 2 369.481 0.616 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]1C[N@@H+](CCF)C2 ZINC001091873670 1205060308 /nfs/dbraw/zinc/06/03/08/1205060308.db2.gz GAWLPBOTMQRUMT-VXNCWWDNSA-N 2 2 369.481 0.616 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001091876674 1205061459 /nfs/dbraw/zinc/06/14/59/1205061459.db2.gz QYHBZRYHUDFDBF-VCBZYWHSSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001091876674 1205061463 /nfs/dbraw/zinc/06/14/63/1205061463.db2.gz QYHBZRYHUDFDBF-VCBZYWHSSA-N 2 2 359.474 0.412 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1CCN(c2ncnc3c2C[NH+](C)CC3)[C@@H]1C ZINC001092003094 1205099826 /nfs/dbraw/zinc/09/98/26/1205099826.db2.gz ICTUKHCXGZDHNB-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(c2ncnc3c2C[NH+](C)CC3)[C@@H]1C ZINC001092003094 1205099829 /nfs/dbraw/zinc/09/98/29/1205099829.db2.gz ICTUKHCXGZDHNB-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1C ZINC001092003094 1205099832 /nfs/dbraw/zinc/09/98/32/1205099832.db2.gz ICTUKHCXGZDHNB-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001092003094 1205099838 /nfs/dbraw/zinc/09/98/38/1205099838.db2.gz ICTUKHCXGZDHNB-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974647 1205105670 /nfs/dbraw/zinc/10/56/70/1205105670.db2.gz OPKBUJLESQANSV-APWZRJJASA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974647 1205105674 /nfs/dbraw/zinc/10/56/74/1205105674.db2.gz OPKBUJLESQANSV-APWZRJJASA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013037 1205113157 /nfs/dbraw/zinc/11/31/57/1205113157.db2.gz GKAWJDZLGMGASN-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013037 1205113158 /nfs/dbraw/zinc/11/31/58/1205113158.db2.gz GKAWJDZLGMGASN-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013037 1205113159 /nfs/dbraw/zinc/11/31/59/1205113159.db2.gz GKAWJDZLGMGASN-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@]3(C)C2)n1 ZINC001092013037 1205113160 /nfs/dbraw/zinc/11/31/60/1205113160.db2.gz GKAWJDZLGMGASN-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022197 1205119269 /nfs/dbraw/zinc/11/92/69/1205119269.db2.gz QLIDKVRQWGJAQN-GLJUWKHASA-N 2 2 364.494 0.756 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022197 1205119274 /nfs/dbraw/zinc/11/92/74/1205119274.db2.gz QLIDKVRQWGJAQN-GLJUWKHASA-N 2 2 364.494 0.756 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220441742 1224872806 /nfs/dbraw/zinc/87/28/06/1224872806.db2.gz MMFXSYLNEIATAV-UAGQMJEPSA-N 2 2 360.462 0.509 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220441742 1224872808 /nfs/dbraw/zinc/87/28/08/1224872808.db2.gz MMFXSYLNEIATAV-UAGQMJEPSA-N 2 2 360.462 0.509 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)n1 ZINC001092203144 1205197961 /nfs/dbraw/zinc/19/79/61/1205197961.db2.gz FFMOVLDYDXMINL-QAPCUYQASA-N 2 2 358.490 0.674 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@]3(C)C2)n1 ZINC001092203144 1205197963 /nfs/dbraw/zinc/19/79/63/1205197963.db2.gz FFMOVLDYDXMINL-QAPCUYQASA-N 2 2 358.490 0.674 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001092229198 1205202796 /nfs/dbraw/zinc/20/27/96/1205202796.db2.gz GXCWEOHULURBFB-UZLBHIALSA-N 2 2 369.469 0.940 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001092229198 1205202801 /nfs/dbraw/zinc/20/28/01/1205202801.db2.gz GXCWEOHULURBFB-UZLBHIALSA-N 2 2 369.469 0.940 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092242583 1205210232 /nfs/dbraw/zinc/21/02/32/1205210232.db2.gz RBURXYPMJNTOKX-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001092242583 1205210237 /nfs/dbraw/zinc/21/02/37/1205210237.db2.gz RBURXYPMJNTOKX-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273928 1205221576 /nfs/dbraw/zinc/22/15/76/1205221576.db2.gz WYQZEKBXUGCIEF-KHYOSLBOSA-N 2 2 358.490 0.914 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273928 1205221579 /nfs/dbraw/zinc/22/15/79/1205221579.db2.gz WYQZEKBXUGCIEF-KHYOSLBOSA-N 2 2 358.490 0.914 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273928 1205221581 /nfs/dbraw/zinc/22/15/81/1205221581.db2.gz WYQZEKBXUGCIEF-KHYOSLBOSA-N 2 2 358.490 0.914 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273928 1205221584 /nfs/dbraw/zinc/22/15/84/1205221584.db2.gz WYQZEKBXUGCIEF-KHYOSLBOSA-N 2 2 358.490 0.914 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304469 1205236374 /nfs/dbraw/zinc/23/63/74/1205236374.db2.gz KLLPYCZUZMAQKE-KPFFTGBYSA-N 2 2 358.486 0.816 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304469 1205236377 /nfs/dbraw/zinc/23/63/77/1205236377.db2.gz KLLPYCZUZMAQKE-KPFFTGBYSA-N 2 2 358.486 0.816 20 0 FCADLP Cc1ccnc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2c[nH+]cn2C)n1 ZINC001092314256 1205244308 /nfs/dbraw/zinc/24/43/08/1205244308.db2.gz CQRFOZMPFIJBRB-HUUCEWRRSA-N 2 2 357.462 0.877 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092320025 1205247666 /nfs/dbraw/zinc/24/76/66/1205247666.db2.gz YVLDKYJGSSMHHG-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092320025 1205247669 /nfs/dbraw/zinc/24/76/69/1205247669.db2.gz YVLDKYJGSSMHHG-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP Cc1cnc2c(N(CC[NH3+])C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nc3ccc(C)cc3n12 ZINC001220456186 1224878061 /nfs/dbraw/zinc/87/80/61/1224878061.db2.gz FVKILASSDIUVSM-HIFRSBDPSA-N 3 2 367.457 0.480 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC3(C[NH+](CCCF)C3)n3ccnc32)O1 ZINC001092374815 1205277351 /nfs/dbraw/zinc/27/73/51/1205277351.db2.gz GHWSEMJVTQSOBZ-RBSFLKMASA-N 2 2 365.453 0.534 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC3(C[NH+](CCCF)C3)n3ccnc32)O1 ZINC001092374815 1205277353 /nfs/dbraw/zinc/27/73/53/1205277353.db2.gz GHWSEMJVTQSOBZ-RBSFLKMASA-N 2 2 365.453 0.534 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001092415967 1205285293 /nfs/dbraw/zinc/28/52/93/1205285293.db2.gz LGRSWBSZJOZYRV-XNRPHZJLSA-N 2 2 371.489 0.892 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)on1 ZINC001092504176 1205297071 /nfs/dbraw/zinc/29/70/71/1205297071.db2.gz IRZQYUBOEFTDRZ-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)on1 ZINC001092504176 1205297076 /nfs/dbraw/zinc/29/70/76/1205297076.db2.gz IRZQYUBOEFTDRZ-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)on1 ZINC001092504176 1205297079 /nfs/dbraw/zinc/29/70/79/1205297079.db2.gz IRZQYUBOEFTDRZ-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@H](C)C2)on1 ZINC001092504176 1205297086 /nfs/dbraw/zinc/29/70/86/1205297086.db2.gz IRZQYUBOEFTDRZ-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747291 1205350352 /nfs/dbraw/zinc/35/03/52/1205350352.db2.gz BDGCAKXZRNQNCF-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747291 1205350353 /nfs/dbraw/zinc/35/03/53/1205350353.db2.gz BDGCAKXZRNQNCF-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092747571 1205350903 /nfs/dbraw/zinc/35/09/03/1205350903.db2.gz DJYYZQJJPBBCHZ-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092747571 1205350906 /nfs/dbraw/zinc/35/09/06/1205350906.db2.gz DJYYZQJJPBBCHZ-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092997851 1205977313 /nfs/dbraw/zinc/97/73/13/1205977313.db2.gz SGRBWZDOSJFSDO-YUELXQCFSA-N 2 2 357.462 0.931 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092997851 1205977314 /nfs/dbraw/zinc/97/73/14/1205977314.db2.gz SGRBWZDOSJFSDO-YUELXQCFSA-N 2 2 357.462 0.931 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001093037495 1206000911 /nfs/dbraw/zinc/00/09/11/1206000911.db2.gz LZVASXNWEMSSKY-YUELXQCFSA-N 2 2 369.473 0.931 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C)C[C@H]2C)CC1 ZINC001093094049 1206024122 /nfs/dbraw/zinc/02/41/22/1206024122.db2.gz YHLPLSDYXFGARK-GDBMZVCRSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@H]2C)CC1 ZINC001093094049 1206024127 /nfs/dbraw/zinc/02/41/27/1206024127.db2.gz YHLPLSDYXFGARK-GDBMZVCRSA-N 2 2 363.510 0.515 20 0 FCADLP NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCO2 ZINC001093400371 1206078029 /nfs/dbraw/zinc/07/80/29/1206078029.db2.gz TUBMBFKHLCSHEM-OOWFEOPPSA-N 2 2 361.446 0.128 20 0 FCADLP NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCO2 ZINC001093400371 1206078033 /nfs/dbraw/zinc/07/80/33/1206078033.db2.gz TUBMBFKHLCSHEM-OOWFEOPPSA-N 2 2 361.446 0.128 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220553410 1224927344 /nfs/dbraw/zinc/92/73/44/1224927344.db2.gz IRNZXSDZFACALG-MSOLQXFVSA-N 2 2 363.458 0.079 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220553410 1224927349 /nfs/dbraw/zinc/92/73/49/1224927349.db2.gz IRNZXSDZFACALG-MSOLQXFVSA-N 2 2 363.458 0.079 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001093742662 1206114966 /nfs/dbraw/zinc/11/49/66/1206114966.db2.gz HJPGZNUXOQFLHP-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093742877 1206115217 /nfs/dbraw/zinc/11/52/17/1206115217.db2.gz MRUBORWVFUTKKJ-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C2)c[nH+]1 ZINC001093856840 1206132942 /nfs/dbraw/zinc/13/29/42/1206132942.db2.gz HOOPZWUBXIBYDW-UKRRQHHQSA-N 2 2 359.478 0.939 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093813288 1206133081 /nfs/dbraw/zinc/13/30/81/1206133081.db2.gz ASSOJZYKFIHPTO-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093813288 1206133086 /nfs/dbraw/zinc/13/30/86/1206133086.db2.gz ASSOJZYKFIHPTO-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093870809 1206138282 /nfs/dbraw/zinc/13/82/82/1206138282.db2.gz ADQPMJRXYFUSOB-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093873577 1206139471 /nfs/dbraw/zinc/13/94/71/1206139471.db2.gz PQSZSWQQNNRHHL-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001093913674 1206147492 /nfs/dbraw/zinc/14/74/92/1206147492.db2.gz BQASLLGWPSJMDO-KFWWJZLASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093914082 1206147998 /nfs/dbraw/zinc/14/79/98/1206147998.db2.gz NZXOMICOGIABHU-ZIAGYGMSSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093913879 1206148282 /nfs/dbraw/zinc/14/82/82/1206148282.db2.gz INCRXZVQDKLHQN-ZIAGYGMSSA-N 2 2 353.430 0.961 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)n1 ZINC001093951889 1206157203 /nfs/dbraw/zinc/15/72/03/1206157203.db2.gz VALKHYDRJPXHFO-ZIAGYGMSSA-N 2 2 362.434 0.687 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001093940673 1206163611 /nfs/dbraw/zinc/16/36/11/1206163611.db2.gz XWKPLTQSKHVXFK-BFYDXBDKSA-N 2 2 365.478 0.755 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001093940673 1206163614 /nfs/dbraw/zinc/16/36/14/1206163614.db2.gz XWKPLTQSKHVXFK-BFYDXBDKSA-N 2 2 365.478 0.755 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094032422 1206172507 /nfs/dbraw/zinc/17/25/07/1206172507.db2.gz JLICYNOFCUQJEI-JHJVBQTASA-N 2 2 358.450 0.237 20 0 FCADLP COCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001094075022 1206179905 /nfs/dbraw/zinc/17/99/05/1206179905.db2.gz VQICPZZMCWMMGK-JHJVBQTASA-N 2 2 362.434 0.927 20 0 FCADLP COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(C)n1 ZINC001094074550 1206179926 /nfs/dbraw/zinc/17/99/26/1206179926.db2.gz ITHPDRCOMJOIIX-IUODEOHRSA-N 2 2 358.446 0.944 20 0 FCADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C[NH2+][C@@H]4CCNC4=O)[C@H](C)C3)[nH+]c12 ZINC001094110987 1206185464 /nfs/dbraw/zinc/18/54/64/1206185464.db2.gz TWNCOCNZNIBMSL-BFYDXBDKSA-N 2 2 369.469 0.758 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094110865 1206185883 /nfs/dbraw/zinc/18/58/83/1206185883.db2.gz RIJGAAQBFPWGOH-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094166628 1206197757 /nfs/dbraw/zinc/19/77/57/1206197757.db2.gz HWFAGCFADWGVDP-UPJWGTAASA-N 2 2 361.446 0.177 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)nn1 ZINC001094165990 1206198161 /nfs/dbraw/zinc/19/81/61/1206198161.db2.gz HKFXLUNMCHNXJO-ZIAGYGMSSA-N 2 2 358.446 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001094166870 1206198231 /nfs/dbraw/zinc/19/82/31/1206198231.db2.gz QBBWLRIJBKAVQT-CHWSQXEVSA-N 2 2 358.450 0.168 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001094166661 1206198269 /nfs/dbraw/zinc/19/82/69/1206198269.db2.gz JQKUIWDXNSNGAU-RBSFLKMASA-N 2 2 357.462 0.426 20 0 FCADLP Cn1ccnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385045 1206222628 /nfs/dbraw/zinc/22/26/28/1206222628.db2.gz XNVDGOMNUVGOIQ-GPMSIDNRSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385045 1206222631 /nfs/dbraw/zinc/22/26/31/1206222631.db2.gz XNVDGOMNUVGOIQ-GPMSIDNRSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccnc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094385045 1206222633 /nfs/dbraw/zinc/22/26/33/1206222633.db2.gz XNVDGOMNUVGOIQ-GPMSIDNRSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccnc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094385045 1206222636 /nfs/dbraw/zinc/22/26/36/1206222636.db2.gz XNVDGOMNUVGOIQ-GPMSIDNRSA-N 2 2 361.490 0.612 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2ncccn2)CC3)C1 ZINC001094385020 1206223065 /nfs/dbraw/zinc/22/30/65/1206223065.db2.gz WVTGRWRIJUNPOZ-GPMSIDNRSA-N 2 2 359.474 0.668 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2ncccn2)CC3)C1 ZINC001094385020 1206223067 /nfs/dbraw/zinc/22/30/67/1206223067.db2.gz WVTGRWRIJUNPOZ-GPMSIDNRSA-N 2 2 359.474 0.668 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ncccn2)CC3)C1 ZINC001094385020 1206223070 /nfs/dbraw/zinc/22/30/70/1206223070.db2.gz WVTGRWRIJUNPOZ-GPMSIDNRSA-N 2 2 359.474 0.668 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2ncccn2)CC3)C1 ZINC001094385020 1206223075 /nfs/dbraw/zinc/22/30/75/1206223075.db2.gz WVTGRWRIJUNPOZ-GPMSIDNRSA-N 2 2 359.474 0.668 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@H]1COCC[NH+]1C1CCCC1 ZINC001094497367 1206232207 /nfs/dbraw/zinc/23/22/07/1206232207.db2.gz UJVQFAZBKSUOOL-QWFCFKBJSA-N 2 2 365.518 0.983 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@H]1COCC[NH+]1C1CCCC1 ZINC001094497367 1206232210 /nfs/dbraw/zinc/23/22/10/1206232210.db2.gz UJVQFAZBKSUOOL-QWFCFKBJSA-N 2 2 365.518 0.983 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001094497367 1206232212 /nfs/dbraw/zinc/23/22/12/1206232212.db2.gz UJVQFAZBKSUOOL-QWFCFKBJSA-N 2 2 365.518 0.983 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001094497367 1206232216 /nfs/dbraw/zinc/23/22/16/1206232216.db2.gz UJVQFAZBKSUOOL-QWFCFKBJSA-N 2 2 365.518 0.983 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094514067 1206235594 /nfs/dbraw/zinc/23/55/94/1206235594.db2.gz FQZWAXLUUHLQNG-NPNMTCQASA-N 2 2 359.474 0.630 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094514067 1206235595 /nfs/dbraw/zinc/23/55/95/1206235595.db2.gz FQZWAXLUUHLQNG-NPNMTCQASA-N 2 2 359.474 0.630 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568552 1224937653 /nfs/dbraw/zinc/93/76/53/1224937653.db2.gz RTCQWJFHHLKJAX-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568552 1224937658 /nfs/dbraw/zinc/93/76/58/1224937658.db2.gz RTCQWJFHHLKJAX-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568552 1224937662 /nfs/dbraw/zinc/93/76/62/1224937662.db2.gz RTCQWJFHHLKJAX-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568552 1224937670 /nfs/dbraw/zinc/93/76/70/1224937670.db2.gz RTCQWJFHHLKJAX-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001095266877 1206291538 /nfs/dbraw/zinc/29/15/38/1206291538.db2.gz KWIMFFITDGGDOL-XWSJACJDSA-N 2 2 359.470 0.731 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001095266877 1206291542 /nfs/dbraw/zinc/29/15/42/1206291542.db2.gz KWIMFFITDGGDOL-XWSJACJDSA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CO)cc2)C1 ZINC001095266877 1206291547 /nfs/dbraw/zinc/29/15/47/1206291547.db2.gz KWIMFFITDGGDOL-XWSJACJDSA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(CO)cc2)C1 ZINC001095266877 1206291553 /nfs/dbraw/zinc/29/15/53/1206291553.db2.gz KWIMFFITDGGDOL-XWSJACJDSA-N 2 2 359.470 0.731 20 0 FCADLP NC(=O)[C@@](O)(C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccccc1 ZINC001175757360 1206307853 /nfs/dbraw/zinc/30/78/53/1206307853.db2.gz BYGDNEHJDVYAOB-HXUWFJFHSA-N 2 2 374.485 0.165 20 0 FCADLP Cn1nnc2c1CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]2COCC[NH+]1CCCC1 ZINC001176829373 1206321922 /nfs/dbraw/zinc/32/19/22/1206321922.db2.gz PWQYZWNPULSMIS-INIZCTEOSA-N 2 2 373.461 0.319 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O)C(C)C ZINC001220575306 1224944114 /nfs/dbraw/zinc/94/41/14/1224944114.db2.gz SEZMBMAEZHDUGO-FGTMMUONSA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O)C(C)C ZINC001220575306 1224944122 /nfs/dbraw/zinc/94/41/22/1224944122.db2.gz SEZMBMAEZHDUGO-FGTMMUONSA-N 2 2 363.506 0.813 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001177093903 1206330328 /nfs/dbraw/zinc/33/03/28/1206330328.db2.gz YBGFGIRUBNRSGZ-GFCCVEGCSA-N 2 2 361.406 0.321 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001177093903 1206330330 /nfs/dbraw/zinc/33/03/30/1206330330.db2.gz YBGFGIRUBNRSGZ-GFCCVEGCSA-N 2 2 361.406 0.321 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932610 1206367441 /nfs/dbraw/zinc/36/74/41/1206367441.db2.gz QRLKYPCIZVQJNM-XZDPQHSOSA-N 2 2 363.462 0.245 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932610 1206367445 /nfs/dbraw/zinc/36/74/45/1206367445.db2.gz QRLKYPCIZVQJNM-XZDPQHSOSA-N 2 2 363.462 0.245 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001180386678 1206394067 /nfs/dbraw/zinc/39/40/67/1206394067.db2.gz AFCOKFXPPWVIBX-UHFFFAOYSA-N 2 2 358.446 0.562 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](C)[NH+]1CCCC1 ZINC001180579878 1206396041 /nfs/dbraw/zinc/39/60/41/1206396041.db2.gz PMRWLBIVNNXDHE-FCEWJHQRSA-N 2 2 367.490 0.726 20 0 FCADLP CC(C)COCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001180750798 1206397927 /nfs/dbraw/zinc/39/79/27/1206397927.db2.gz JSQUPLJUWPQCKW-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)COCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001180750798 1206397930 /nfs/dbraw/zinc/39/79/30/1206397930.db2.gz JSQUPLJUWPQCKW-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C1 ZINC001180756860 1206398502 /nfs/dbraw/zinc/39/85/02/1206398502.db2.gz AYQVBLNTVIYWHJ-DFGXFYAUSA-N 2 2 360.458 0.512 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C1 ZINC001180756860 1206398503 /nfs/dbraw/zinc/39/85/03/1206398503.db2.gz AYQVBLNTVIYWHJ-DFGXFYAUSA-N 2 2 360.458 0.512 20 0 FCADLP C[NH+](C)CCOCc1ncn2c1CN(C(=O)Cc1cc[nH+]c(N)c1)CCC2 ZINC001181248211 1206406122 /nfs/dbraw/zinc/40/61/22/1206406122.db2.gz GETWISIBMLQYBW-UHFFFAOYSA-N 2 2 372.473 0.914 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001181885023 1206416816 /nfs/dbraw/zinc/41/68/16/1206416816.db2.gz PBUXTBKLEMTMRF-HOPMXRPOSA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001181885023 1206416818 /nfs/dbraw/zinc/41/68/18/1206416818.db2.gz PBUXTBKLEMTMRF-HOPMXRPOSA-N 2 2 364.494 0.406 20 0 FCADLP CCOC(=O)[C@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000774548737 1206444135 /nfs/dbraw/zinc/44/41/35/1206444135.db2.gz BAFNFILQJLQPLD-LJQANCHMSA-N 2 2 367.490 0.790 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001185225581 1206475853 /nfs/dbraw/zinc/47/58/53/1206475853.db2.gz FKUMCFCOABESSF-IBGZPJMESA-N 2 2 361.486 0.803 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001185225581 1206475854 /nfs/dbraw/zinc/47/58/54/1206475854.db2.gz FKUMCFCOABESSF-IBGZPJMESA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001185246781 1206476618 /nfs/dbraw/zinc/47/66/18/1206476618.db2.gz XIBOHQIZHUGHFT-GOSISDBHSA-N 2 2 362.522 0.656 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185246781 1206476620 /nfs/dbraw/zinc/47/66/20/1206476620.db2.gz XIBOHQIZHUGHFT-GOSISDBHSA-N 2 2 362.522 0.656 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001185750380 1206485683 /nfs/dbraw/zinc/48/56/83/1206485683.db2.gz XWCBJJZZTWONMK-BZUAXINKSA-N 2 2 359.474 0.630 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186354087 1206495922 /nfs/dbraw/zinc/49/59/22/1206495922.db2.gz VZPWNSRHHVLXRE-FCEWJHQRSA-N 2 2 367.490 0.583 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186354087 1206495923 /nfs/dbraw/zinc/49/59/23/1206495923.db2.gz VZPWNSRHHVLXRE-FCEWJHQRSA-N 2 2 367.490 0.583 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327115 1206520901 /nfs/dbraw/zinc/52/09/01/1206520901.db2.gz WUIPIFIMNXTQNP-RCCFBDPRSA-N 2 2 371.485 0.325 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327115 1206520902 /nfs/dbraw/zinc/52/09/02/1206520902.db2.gz WUIPIFIMNXTQNP-RCCFBDPRSA-N 2 2 371.485 0.325 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327115 1206520903 /nfs/dbraw/zinc/52/09/03/1206520903.db2.gz WUIPIFIMNXTQNP-RCCFBDPRSA-N 2 2 371.485 0.325 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220651268 1224990732 /nfs/dbraw/zinc/99/07/32/1224990732.db2.gz IJEPYFJHXZGDRZ-RTBURBONSA-N 3 2 371.529 0.786 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220651268 1224990738 /nfs/dbraw/zinc/99/07/38/1224990738.db2.gz IJEPYFJHXZGDRZ-RTBURBONSA-N 3 2 371.529 0.786 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)CCc2[nH]cc[nH+]2)C3)CC1 ZINC001273544295 1207378475 /nfs/dbraw/zinc/37/84/75/1207378475.db2.gz ONROFFOHVPJUSU-AUUYWEPGSA-N 2 2 359.474 0.743 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979159 1207406931 /nfs/dbraw/zinc/40/69/31/1207406931.db2.gz TVDVIPISMNYDHU-USXIJHARSA-N 2 2 362.474 0.302 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979159 1207406936 /nfs/dbraw/zinc/40/69/36/1207406936.db2.gz TVDVIPISMNYDHU-USXIJHARSA-N 2 2 362.474 0.302 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205430 1207434497 /nfs/dbraw/zinc/43/44/97/1207434497.db2.gz LMCVWVJOAZPHRJ-ARFHVFGLSA-N 2 2 359.474 0.819 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205430 1207434501 /nfs/dbraw/zinc/43/45/01/1207434501.db2.gz LMCVWVJOAZPHRJ-ARFHVFGLSA-N 2 2 359.474 0.819 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001188387182 1207448804 /nfs/dbraw/zinc/44/88/04/1207448804.db2.gz BRYZMOLOEFSDDT-LZLYRXPVSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001188387182 1207448809 /nfs/dbraw/zinc/44/88/09/1207448809.db2.gz BRYZMOLOEFSDDT-LZLYRXPVSA-N 2 2 371.485 0.504 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388813 1207448825 /nfs/dbraw/zinc/44/88/25/1207448825.db2.gz USOWAIAMTYFLQS-LZLYRXPVSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388813 1207448830 /nfs/dbraw/zinc/44/88/30/1207448830.db2.gz USOWAIAMTYFLQS-LZLYRXPVSA-N 2 2 362.474 0.641 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724421 1207477129 /nfs/dbraw/zinc/47/71/29/1207477129.db2.gz SYIOBYYHTXRQCM-JKSUJKDBSA-N 2 2 362.478 0.514 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724421 1207477131 /nfs/dbraw/zinc/47/71/31/1207477131.db2.gz SYIOBYYHTXRQCM-JKSUJKDBSA-N 2 2 362.478 0.514 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127391 1207509836 /nfs/dbraw/zinc/50/98/36/1207509836.db2.gz VFIUESBZEUBDPH-BPQIPLTHSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127391 1207509840 /nfs/dbraw/zinc/50/98/40/1207509840.db2.gz VFIUESBZEUBDPH-BPQIPLTHSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127391 1207509845 /nfs/dbraw/zinc/50/98/45/1207509845.db2.gz VFIUESBZEUBDPH-BPQIPLTHSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127391 1207509853 /nfs/dbraw/zinc/50/98/53/1207509853.db2.gz VFIUESBZEUBDPH-BPQIPLTHSA-N 2 2 362.518 0.920 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189639709 1207575775 /nfs/dbraw/zinc/57/57/75/1207575775.db2.gz COFQADULDQBXDD-YXJHDRRASA-N 2 2 371.441 0.421 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189639709 1207575786 /nfs/dbraw/zinc/57/57/86/1207575786.db2.gz COFQADULDQBXDD-YXJHDRRASA-N 2 2 371.441 0.421 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786242 1207601062 /nfs/dbraw/zinc/60/10/62/1207601062.db2.gz BHLHZQDGSNNHEC-RYQLBKOJSA-N 2 2 364.490 0.529 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786242 1207601070 /nfs/dbraw/zinc/60/10/70/1207601070.db2.gz BHLHZQDGSNNHEC-RYQLBKOJSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787597 1207602089 /nfs/dbraw/zinc/60/20/89/1207602089.db2.gz RBMXLIKEPRIWLN-OFQRWUPVSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787597 1207602094 /nfs/dbraw/zinc/60/20/94/1207602094.db2.gz RBMXLIKEPRIWLN-OFQRWUPVSA-N 2 2 361.490 0.799 20 0 FCADLP O=C(N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1)C12CC[NH+](CC1)CC2 ZINC001273590048 1207622301 /nfs/dbraw/zinc/62/23/01/1207622301.db2.gz XXUWKDWZWBSUMM-CALCHBBNSA-N 2 2 359.474 0.281 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1)C1CC1 ZINC001190176887 1207657980 /nfs/dbraw/zinc/65/79/80/1207657980.db2.gz JHSVFOIFOYYPRE-DOTOQJQBSA-N 2 2 359.474 0.735 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1)C1CC1 ZINC001190176887 1207657984 /nfs/dbraw/zinc/65/79/84/1207657984.db2.gz JHSVFOIFOYYPRE-DOTOQJQBSA-N 2 2 359.474 0.735 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486681 1207687887 /nfs/dbraw/zinc/68/78/87/1207687887.db2.gz KOJXUUACQIYSTP-YQQAZPJKSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486681 1207687891 /nfs/dbraw/zinc/68/78/91/1207687891.db2.gz KOJXUUACQIYSTP-YQQAZPJKSA-N 2 2 359.474 0.863 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466934 1207690914 /nfs/dbraw/zinc/69/09/14/1207690914.db2.gz IPDJOKDYNSCGKM-RCCFBDPRSA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466934 1207690917 /nfs/dbraw/zinc/69/09/17/1207690917.db2.gz IPDJOKDYNSCGKM-RCCFBDPRSA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466934 1207690923 /nfs/dbraw/zinc/69/09/23/1207690923.db2.gz IPDJOKDYNSCGKM-RCCFBDPRSA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190466934 1207690924 /nfs/dbraw/zinc/69/09/24/1207690924.db2.gz IPDJOKDYNSCGKM-RCCFBDPRSA-N 2 2 358.486 0.915 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21 ZINC001190474479 1207692563 /nfs/dbraw/zinc/69/25/63/1207692563.db2.gz YQYMMANBGBXPQA-DLBZAZTESA-N 2 2 357.462 0.878 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCCCCn3cncn3)C[C@H]21 ZINC001190474479 1207692572 /nfs/dbraw/zinc/69/25/72/1207692572.db2.gz YQYMMANBGBXPQA-DLBZAZTESA-N 2 2 357.462 0.878 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689455 1225015485 /nfs/dbraw/zinc/01/54/85/1225015485.db2.gz HHRAKNKAZSQEBG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689455 1225015494 /nfs/dbraw/zinc/01/54/94/1225015494.db2.gz HHRAKNKAZSQEBG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689455 1225015501 /nfs/dbraw/zinc/01/55/01/1225015501.db2.gz HHRAKNKAZSQEBG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689455 1225015511 /nfs/dbraw/zinc/01/55/11/1225015511.db2.gz HHRAKNKAZSQEBG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220689576 1225017737 /nfs/dbraw/zinc/01/77/37/1225017737.db2.gz LQDXIBZZFVYEJW-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468404 1207796267 /nfs/dbraw/zinc/79/62/67/1207796267.db2.gz FCJZXWOKTIJVJO-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468404 1207796277 /nfs/dbraw/zinc/79/62/77/1207796277.db2.gz FCJZXWOKTIJVJO-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP COC(=O)[C@H](COC(C)(C)C)NC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001191922029 1207813011 /nfs/dbraw/zinc/81/30/11/1207813011.db2.gz FSZVXJGWNZKYLP-AWEZNQCLSA-N 2 2 372.510 0.668 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220689576 1225017714 /nfs/dbraw/zinc/01/77/14/1225017714.db2.gz LQDXIBZZFVYEJW-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220689576 1225017724 /nfs/dbraw/zinc/01/77/24/1225017724.db2.gz LQDXIBZZFVYEJW-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220689576 1225017735 /nfs/dbraw/zinc/01/77/35/1225017735.db2.gz LQDXIBZZFVYEJW-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2ccccc2)c1 ZINC001220700855 1225022814 /nfs/dbraw/zinc/02/28/14/1225022814.db2.gz QEMFNXXFBJDIII-NJAFHUGGSA-N 2 2 373.478 0.985 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738001 1207886592 /nfs/dbraw/zinc/88/65/92/1207886592.db2.gz LJSUMEQGRSHAGC-ARFHVFGLSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738001 1207886593 /nfs/dbraw/zinc/88/65/93/1207886593.db2.gz LJSUMEQGRSHAGC-ARFHVFGLSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738001 1207886596 /nfs/dbraw/zinc/88/65/96/1207886596.db2.gz LJSUMEQGRSHAGC-ARFHVFGLSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738001 1207886598 /nfs/dbraw/zinc/88/65/98/1207886598.db2.gz LJSUMEQGRSHAGC-ARFHVFGLSA-N 2 2 368.522 0.325 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)cc1 ZINC001193738433 1207886635 /nfs/dbraw/zinc/88/66/35/1207886635.db2.gz UYLPEQQLURIFMY-CEXWTWQISA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)cc1 ZINC001193738433 1207886637 /nfs/dbraw/zinc/88/66/37/1207886637.db2.gz UYLPEQQLURIFMY-CEXWTWQISA-N 2 2 371.485 0.483 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CC1 ZINC001193791076 1207889290 /nfs/dbraw/zinc/88/92/90/1207889290.db2.gz DWRVQDOHIWHOLP-KZNAEPCWSA-N 2 2 365.449 0.320 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C1CC1 ZINC001193791076 1207889291 /nfs/dbraw/zinc/88/92/91/1207889291.db2.gz DWRVQDOHIWHOLP-KZNAEPCWSA-N 2 2 365.449 0.320 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1F ZINC001193755131 1207889887 /nfs/dbraw/zinc/88/98/87/1207889887.db2.gz GHZXDQLGBRDJIT-JFIYKMOQSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805059 1207891246 /nfs/dbraw/zinc/89/12/46/1207891246.db2.gz IZOGJNVMAOHQHK-IAGOWNOFSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805059 1207891247 /nfs/dbraw/zinc/89/12/47/1207891247.db2.gz IZOGJNVMAOHQHK-IAGOWNOFSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805059 1207891249 /nfs/dbraw/zinc/89/12/49/1207891249.db2.gz IZOGJNVMAOHQHK-IAGOWNOFSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805059 1207891251 /nfs/dbraw/zinc/89/12/51/1207891251.db2.gz IZOGJNVMAOHQHK-IAGOWNOFSA-N 2 2 365.449 0.980 20 0 FCADLP Cc1cnc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)nc1 ZINC001194070495 1207913776 /nfs/dbraw/zinc/91/37/76/1207913776.db2.gz ZKICOTPFTMEIFS-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290456 1207935151 /nfs/dbraw/zinc/93/51/51/1207935151.db2.gz YGMSMGDFWKIKKI-HZPDHXFCSA-N 2 2 359.430 0.566 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290456 1207935160 /nfs/dbraw/zinc/93/51/60/1207935160.db2.gz YGMSMGDFWKIKKI-HZPDHXFCSA-N 2 2 359.430 0.566 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001195139583 1208001880 /nfs/dbraw/zinc/00/18/80/1208001880.db2.gz VFMCEXOCKZSUPJ-QZTJIDSGSA-N 2 2 358.442 0.781 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001195139583 1208001883 /nfs/dbraw/zinc/00/18/83/1208001883.db2.gz VFMCEXOCKZSUPJ-QZTJIDSGSA-N 2 2 358.442 0.781 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549164 1208025310 /nfs/dbraw/zinc/02/53/10/1208025310.db2.gz RJTFDVZZTQWCND-BZUAXINKSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549164 1208025316 /nfs/dbraw/zinc/02/53/16/1208025316.db2.gz RJTFDVZZTQWCND-BZUAXINKSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549164 1208025320 /nfs/dbraw/zinc/02/53/20/1208025320.db2.gz RJTFDVZZTQWCND-BZUAXINKSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549164 1208025323 /nfs/dbraw/zinc/02/53/23/1208025323.db2.gz RJTFDVZZTQWCND-BZUAXINKSA-N 2 2 368.522 0.184 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001195676549 1208032735 /nfs/dbraw/zinc/03/27/35/1208032735.db2.gz GEQLXIGFLSENGR-IXDOHACOSA-N 2 2 365.449 0.362 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001195676549 1208032738 /nfs/dbraw/zinc/03/27/38/1208032738.db2.gz GEQLXIGFLSENGR-IXDOHACOSA-N 2 2 365.449 0.362 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CC1 ZINC001195676360 1208032781 /nfs/dbraw/zinc/03/27/81/1208032781.db2.gz CMBIBTUOWSBEJI-IAGOWNOFSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CC1 ZINC001195676360 1208032786 /nfs/dbraw/zinc/03/27/86/1208032786.db2.gz CMBIBTUOWSBEJI-IAGOWNOFSA-N 2 2 365.449 0.321 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195708246 1208036603 /nfs/dbraw/zinc/03/66/03/1208036603.db2.gz KDQZIQBJVWBBJY-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001195708246 1208036605 /nfs/dbraw/zinc/03/66/05/1208036605.db2.gz KDQZIQBJVWBBJY-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001195709016 1208036743 /nfs/dbraw/zinc/03/67/43/1208036743.db2.gz VVIDDBMGFKVBTP-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001195709016 1208036745 /nfs/dbraw/zinc/03/67/45/1208036745.db2.gz VVIDDBMGFKVBTP-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001195981092 1208049129 /nfs/dbraw/zinc/04/91/29/1208049129.db2.gz OSAPEJQAMYNZAI-BRWVUGGUSA-N 2 2 365.522 0.886 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196459855 1208085802 /nfs/dbraw/zinc/08/58/02/1208085802.db2.gz DOKMGOUIXRVSOL-KBRIMQKVSA-N 2 2 371.441 0.295 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196459855 1208085806 /nfs/dbraw/zinc/08/58/06/1208085806.db2.gz DOKMGOUIXRVSOL-KBRIMQKVSA-N 2 2 371.441 0.295 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638841 1208098569 /nfs/dbraw/zinc/09/85/69/1208098569.db2.gz ZWYFXJYTYIMUNP-HZPDHXFCSA-N 2 2 368.522 0.184 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638841 1208098570 /nfs/dbraw/zinc/09/85/70/1208098570.db2.gz ZWYFXJYTYIMUNP-HZPDHXFCSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636462 1208098659 /nfs/dbraw/zinc/09/86/59/1208098659.db2.gz ARDPSGMKZBHLIA-USXIJHARSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636462 1208098662 /nfs/dbraw/zinc/09/86/62/1208098662.db2.gz ARDPSGMKZBHLIA-USXIJHARSA-N 2 2 368.522 0.135 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196666541 1208100488 /nfs/dbraw/zinc/10/04/88/1208100488.db2.gz FHEQHXZISWLFEX-HZPDHXFCSA-N 2 2 368.478 0.221 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196666541 1208100493 /nfs/dbraw/zinc/10/04/93/1208100493.db2.gz FHEQHXZISWLFEX-HZPDHXFCSA-N 2 2 368.478 0.221 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196939014 1208122846 /nfs/dbraw/zinc/12/28/46/1208122846.db2.gz BSUCROIPZYXYEA-RTBURBONSA-N 2 2 361.486 0.633 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196939014 1208122850 /nfs/dbraw/zinc/12/28/50/1208122850.db2.gz BSUCROIPZYXYEA-RTBURBONSA-N 2 2 361.486 0.633 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2O)CC1 ZINC001197253105 1208148999 /nfs/dbraw/zinc/14/89/99/1208148999.db2.gz IBIMCKUPSQNJGB-QZTJIDSGSA-N 2 2 365.449 0.598 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2O)CC1 ZINC001197253105 1208149001 /nfs/dbraw/zinc/14/90/01/1208149001.db2.gz IBIMCKUPSQNJGB-QZTJIDSGSA-N 2 2 365.449 0.598 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197274028 1208149631 /nfs/dbraw/zinc/14/96/31/1208149631.db2.gz NLCQIGYQLJRYMB-IAGOWNOFSA-N 2 2 359.430 0.467 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197274028 1208149634 /nfs/dbraw/zinc/14/96/34/1208149634.db2.gz NLCQIGYQLJRYMB-IAGOWNOFSA-N 2 2 359.430 0.467 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492929 1208166647 /nfs/dbraw/zinc/16/66/47/1208166647.db2.gz BGEPXLDJTUGMNS-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492929 1208166649 /nfs/dbraw/zinc/16/66/49/1208166649.db2.gz BGEPXLDJTUGMNS-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492929 1208166651 /nfs/dbraw/zinc/16/66/51/1208166651.db2.gz BGEPXLDJTUGMNS-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492929 1208166653 /nfs/dbraw/zinc/16/66/53/1208166653.db2.gz BGEPXLDJTUGMNS-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791618 1208196647 /nfs/dbraw/zinc/19/66/47/1208196647.db2.gz FSWHPGSHNLGXMY-CSMYWGQOSA-N 2 2 371.428 0.765 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791618 1208196658 /nfs/dbraw/zinc/19/66/58/1208196658.db2.gz FSWHPGSHNLGXMY-CSMYWGQOSA-N 2 2 371.428 0.765 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825168 1208201902 /nfs/dbraw/zinc/20/19/02/1208201902.db2.gz ATUXIXNCBGUYBZ-HZPDHXFCSA-N 2 2 369.437 0.074 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825168 1208201903 /nfs/dbraw/zinc/20/19/03/1208201903.db2.gz ATUXIXNCBGUYBZ-HZPDHXFCSA-N 2 2 369.437 0.074 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)C(C)C ZINC001197948076 1208208598 /nfs/dbraw/zinc/20/85/98/1208208598.db2.gz FHWIRIOLOUUWIM-IAGOWNOFSA-N 2 2 370.538 0.525 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)C(C)C ZINC001197948076 1208208602 /nfs/dbraw/zinc/20/86/02/1208208602.db2.gz FHWIRIOLOUUWIM-IAGOWNOFSA-N 2 2 370.538 0.525 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955949 1208209323 /nfs/dbraw/zinc/20/93/23/1208209323.db2.gz ROQGXEPMUFRDMB-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955949 1208209325 /nfs/dbraw/zinc/20/93/25/1208209325.db2.gz ROQGXEPMUFRDMB-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048020 1208213117 /nfs/dbraw/zinc/21/31/17/1208213117.db2.gz QZEOFQNUKSJDBQ-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048020 1208213122 /nfs/dbraw/zinc/21/31/22/1208213122.db2.gz QZEOFQNUKSJDBQ-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048020 1208213126 /nfs/dbraw/zinc/21/31/26/1208213126.db2.gz QZEOFQNUKSJDBQ-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048020 1208213127 /nfs/dbraw/zinc/21/31/27/1208213127.db2.gz QZEOFQNUKSJDBQ-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046844 1208213840 /nfs/dbraw/zinc/21/38/40/1208213840.db2.gz GQSAZODGVAVDCH-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046844 1208213842 /nfs/dbraw/zinc/21/38/42/1208213842.db2.gz GQSAZODGVAVDCH-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046844 1208213843 /nfs/dbraw/zinc/21/38/43/1208213843.db2.gz GQSAZODGVAVDCH-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001198046844 1208213845 /nfs/dbraw/zinc/21/38/45/1208213845.db2.gz GQSAZODGVAVDCH-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038232 1208216090 /nfs/dbraw/zinc/21/60/90/1208216090.db2.gz LRGJOGULLPOOCH-OWCLPIDISA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038232 1208216094 /nfs/dbraw/zinc/21/60/94/1208216094.db2.gz LRGJOGULLPOOCH-OWCLPIDISA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038232 1208216100 /nfs/dbraw/zinc/21/61/00/1208216100.db2.gz LRGJOGULLPOOCH-OWCLPIDISA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038232 1208216101 /nfs/dbraw/zinc/21/61/01/1208216101.db2.gz LRGJOGULLPOOCH-OWCLPIDISA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220750201 1225052396 /nfs/dbraw/zinc/05/23/96/1225052396.db2.gz PNSWDQAGUQDKJJ-XKQJLSEDSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220750201 1225052403 /nfs/dbraw/zinc/05/24/03/1225052403.db2.gz PNSWDQAGUQDKJJ-XKQJLSEDSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C)C2)[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000775866383 1208262243 /nfs/dbraw/zinc/26/22/43/1208262243.db2.gz HSAFLWMEXCXLMU-PECIQYQJSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C)C2)[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000775866383 1208262248 /nfs/dbraw/zinc/26/22/48/1208262248.db2.gz HSAFLWMEXCXLMU-PECIQYQJSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)C1 ZINC000775866383 1208262250 /nfs/dbraw/zinc/26/22/50/1208262250.db2.gz HSAFLWMEXCXLMU-PECIQYQJSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000775866383 1208262255 /nfs/dbraw/zinc/26/22/55/1208262255.db2.gz HSAFLWMEXCXLMU-PECIQYQJSA-N 2 2 364.534 0.974 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690558 1208278429 /nfs/dbraw/zinc/27/84/29/1208278429.db2.gz YUKIWBNARBJVKC-CGTJXYLNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690558 1208278439 /nfs/dbraw/zinc/27/84/39/1208278439.db2.gz YUKIWBNARBJVKC-CGTJXYLNSA-N 2 2 362.474 0.020 20 0 FCADLP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742739 1208284707 /nfs/dbraw/zinc/28/47/07/1208284707.db2.gz QUTLMEWMBPTKDN-IIAWOOMASA-N 2 2 362.474 0.528 20 0 FCADLP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742739 1208284712 /nfs/dbraw/zinc/28/47/12/1208284712.db2.gz QUTLMEWMBPTKDN-IIAWOOMASA-N 2 2 362.474 0.528 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001198908432 1208305438 /nfs/dbraw/zinc/30/54/38/1208305438.db2.gz FXUVXQKYSYTZQB-OAGGEKHMSA-N 2 2 358.442 0.972 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097178 1208317844 /nfs/dbraw/zinc/31/78/44/1208317844.db2.gz WUBPNIJWTLXDMG-GVDBMIGSSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097178 1208317846 /nfs/dbraw/zinc/31/78/46/1208317846.db2.gz WUBPNIJWTLXDMG-GVDBMIGSSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199097178 1208317849 /nfs/dbraw/zinc/31/78/49/1208317849.db2.gz WUBPNIJWTLXDMG-GVDBMIGSSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199097178 1208317852 /nfs/dbraw/zinc/31/78/52/1208317852.db2.gz WUBPNIJWTLXDMG-GVDBMIGSSA-N 2 2 370.538 0.381 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](c3ccccc3)[NH+](C)C)C2)cn1 ZINC001199119381 1208322448 /nfs/dbraw/zinc/32/24/48/1208322448.db2.gz CCYFWYGBCFBOBG-QRVBRYPASA-N 2 2 371.485 0.427 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](c3ccccc3)[NH+](C)C)C2)cn1 ZINC001199119381 1208322454 /nfs/dbraw/zinc/32/24/54/1208322454.db2.gz CCYFWYGBCFBOBG-QRVBRYPASA-N 2 2 371.485 0.427 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@@H]2COCCC23OCCO3)CC1 ZINC001199358906 1208342579 /nfs/dbraw/zinc/34/25/79/1208342579.db2.gz DEJZQOAEYPQWAY-MRXNPFEDSA-N 2 2 362.430 0.095 20 0 FCADLP Cn1cc2c(n1)[C@H](CNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1)OCC2 ZINC001199360403 1208343187 /nfs/dbraw/zinc/34/31/87/1208343187.db2.gz LODIXUNDJUODRU-KRWDZBQOSA-N 2 2 370.457 0.611 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369936 1208343812 /nfs/dbraw/zinc/34/38/12/1208343812.db2.gz CIZYASYBQUYAKV-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369936 1208343815 /nfs/dbraw/zinc/34/38/15/1208343815.db2.gz CIZYASYBQUYAKV-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199370154 1208343951 /nfs/dbraw/zinc/34/39/51/1208343951.db2.gz MMSUSENOOCJMSH-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199370154 1208343953 /nfs/dbraw/zinc/34/39/53/1208343953.db2.gz MMSUSENOOCJMSH-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384376 1208345340 /nfs/dbraw/zinc/34/53/40/1208345340.db2.gz IQCKIMLSPXWFRC-IPMKNSEASA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384376 1208345343 /nfs/dbraw/zinc/34/53/43/1208345343.db2.gz IQCKIMLSPXWFRC-IPMKNSEASA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384376 1208345344 /nfs/dbraw/zinc/34/53/44/1208345344.db2.gz IQCKIMLSPXWFRC-IPMKNSEASA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384376 1208345347 /nfs/dbraw/zinc/34/53/47/1208345347.db2.gz IQCKIMLSPXWFRC-IPMKNSEASA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764283 1225061014 /nfs/dbraw/zinc/06/10/14/1225061014.db2.gz FSWHPGSHNLGXMY-VUCTXSBTSA-N 2 2 371.428 0.765 20 0 FCADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764283 1225061021 /nfs/dbraw/zinc/06/10/21/1225061021.db2.gz FSWHPGSHNLGXMY-VUCTXSBTSA-N 2 2 371.428 0.765 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220831155 1225095580 /nfs/dbraw/zinc/09/55/80/1225095580.db2.gz QZFNFQNXEOZDIZ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220831155 1225095587 /nfs/dbraw/zinc/09/55/87/1225095587.db2.gz QZFNFQNXEOZDIZ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220831155 1225095593 /nfs/dbraw/zinc/09/55/93/1225095593.db2.gz QZFNFQNXEOZDIZ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220831155 1225095602 /nfs/dbraw/zinc/09/56/02/1225095602.db2.gz QZFNFQNXEOZDIZ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001489543884 1208904312 /nfs/dbraw/zinc/90/43/12/1208904312.db2.gz XGZCTVHFMSHSSB-BFYDXBDKSA-N 2 2 365.478 0.189 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001489663116 1209078023 /nfs/dbraw/zinc/07/80/23/1209078023.db2.gz NKSHSYKRYPUDDJ-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001489663116 1209078026 /nfs/dbraw/zinc/07/80/26/1209078026.db2.gz NKSHSYKRYPUDDJ-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001220881901 1225121798 /nfs/dbraw/zinc/12/17/98/1225121798.db2.gz JRASMJKYRCFOSK-MSOLQXFVSA-N 2 2 358.442 0.723 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001220881901 1225121802 /nfs/dbraw/zinc/12/18/02/1225121802.db2.gz JRASMJKYRCFOSK-MSOLQXFVSA-N 2 2 358.442 0.723 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664747 1209590112 /nfs/dbraw/zinc/59/01/12/1209590112.db2.gz WBVYKTWHTWHQHM-OAGGEKHMSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664747 1209590118 /nfs/dbraw/zinc/59/01/18/1209590118.db2.gz WBVYKTWHTWHQHM-OAGGEKHMSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666220 1209593282 /nfs/dbraw/zinc/59/32/82/1209593282.db2.gz DBALCZDQXUPRFD-CBZIJGRNSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666220 1209593286 /nfs/dbraw/zinc/59/32/86/1209593286.db2.gz DBALCZDQXUPRFD-CBZIJGRNSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693777 1209651306 /nfs/dbraw/zinc/65/13/06/1209651306.db2.gz TXXNBNBDCKESSH-CBZIJGRNSA-N 2 2 368.522 0.447 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693777 1209651315 /nfs/dbraw/zinc/65/13/15/1209651315.db2.gz TXXNBNBDCKESSH-CBZIJGRNSA-N 2 2 368.522 0.447 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994580 1225180065 /nfs/dbraw/zinc/18/00/65/1225180065.db2.gz XQOWMNAHWOJJHF-JQHSSLGASA-N 2 2 361.490 0.965 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994580 1225180067 /nfs/dbraw/zinc/18/00/67/1225180067.db2.gz XQOWMNAHWOJJHF-JQHSSLGASA-N 2 2 361.490 0.965 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453817 1210110664 /nfs/dbraw/zinc/11/06/64/1210110664.db2.gz RCASTONQXXSWSH-NDOBWRGRSA-N 2 2 366.506 0.057 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453817 1210110666 /nfs/dbraw/zinc/11/06/66/1210110666.db2.gz RCASTONQXXSWSH-NDOBWRGRSA-N 2 2 366.506 0.057 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114453817 1210110668 /nfs/dbraw/zinc/11/06/68/1210110668.db2.gz RCASTONQXXSWSH-NDOBWRGRSA-N 2 2 366.506 0.057 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114453817 1210110669 /nfs/dbraw/zinc/11/06/69/1210110669.db2.gz RCASTONQXXSWSH-NDOBWRGRSA-N 2 2 366.506 0.057 20 0 FCADLP C[C@H](CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1CCCCC1 ZINC000875129927 1210340631 /nfs/dbraw/zinc/34/06/31/1210340631.db2.gz BVPVQGBSYZLBPR-VQIMIIECSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@H](CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1CCCCC1 ZINC000875129927 1210340634 /nfs/dbraw/zinc/34/06/34/1210340634.db2.gz BVPVQGBSYZLBPR-VQIMIIECSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1CCCCC1 ZINC000875129926 1210340826 /nfs/dbraw/zinc/34/08/26/1210340826.db2.gz BVPVQGBSYZLBPR-QFBILLFUSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1CCCCC1 ZINC000875129926 1210340830 /nfs/dbraw/zinc/34/08/30/1210340830.db2.gz BVPVQGBSYZLBPR-QFBILLFUSA-N 2 2 368.522 0.776 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081590 1225213894 /nfs/dbraw/zinc/21/38/94/1225213894.db2.gz PADFEVSHAJNRSO-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001221081590 1225213900 /nfs/dbraw/zinc/21/39/00/1225213900.db2.gz PADFEVSHAJNRSO-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)c1ccccc1 ZINC001221096331 1225221471 /nfs/dbraw/zinc/22/14/71/1225221471.db2.gz QEKSGXXADKMPBS-QYZOEREBSA-N 2 2 361.486 0.877 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)c1ccccc1 ZINC001221096331 1225221476 /nfs/dbraw/zinc/22/14/76/1225221476.db2.gz QEKSGXXADKMPBS-QYZOEREBSA-N 2 2 361.486 0.877 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCN1c1cc[nH+]cc1 ZINC000882820931 1210636415 /nfs/dbraw/zinc/63/64/15/1210636415.db2.gz FUHMALAIUUNWIH-OAHLLOKOSA-N 2 2 367.457 0.865 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCN1c1cc[nH+]cc1 ZINC000882820931 1210636418 /nfs/dbraw/zinc/63/64/18/1210636418.db2.gz FUHMALAIUUNWIH-OAHLLOKOSA-N 2 2 367.457 0.865 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000883653726 1210680102 /nfs/dbraw/zinc/68/01/02/1210680102.db2.gz HITZKZSTNUMUDT-IYBDPMFKSA-N 2 2 368.522 0.674 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000883653726 1210680106 /nfs/dbraw/zinc/68/01/06/1210680106.db2.gz HITZKZSTNUMUDT-IYBDPMFKSA-N 2 2 368.522 0.674 20 0 FCADLP O=C(C(=O)N1CC[NH2+]CCC12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000883657363 1210681905 /nfs/dbraw/zinc/68/19/05/1210681905.db2.gz ZEYCOJNKXUDURP-UHFFFAOYSA-N 2 2 357.458 0.475 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000883686619 1210684226 /nfs/dbraw/zinc/68/42/26/1210684226.db2.gz NORRYKOFYWWYFA-UHFFFAOYSA-N 2 2 362.478 0.478 20 0 FCADLP COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC000884164159 1210718464 /nfs/dbraw/zinc/71/84/64/1210718464.db2.gz ZOUNAMDIMJNFGH-JZXOWHBKSA-N 2 2 368.522 0.896 20 0 FCADLP 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/nfs/dbraw/zinc/97/31/12/1210973112.db2.gz PTNXOOKXJZQDSI-INIZCTEOSA-N 2 2 365.522 0.665 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)CC1 ZINC001274369012 1211037702 /nfs/dbraw/zinc/03/77/02/1211037702.db2.gz BBMRLNOXMFQTKF-UHFFFAOYSA-N 2 2 360.506 0.472 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)CC1 ZINC001274371529 1211039716 /nfs/dbraw/zinc/03/97/16/1211039716.db2.gz ZOENLLOZMRSCMY-FQEVSTJZSA-N 2 2 365.566 0.500 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)CC1 ZINC001274371529 1211039721 /nfs/dbraw/zinc/03/97/21/1211039721.db2.gz ZOENLLOZMRSCMY-FQEVSTJZSA-N 2 2 365.566 0.500 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001274371529 1211039725 /nfs/dbraw/zinc/03/97/25/1211039725.db2.gz ZOENLLOZMRSCMY-FQEVSTJZSA-N 2 2 365.566 0.500 20 0 FCADLP C[NH+]1CCC(C)(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CC1 ZINC001274400702 1211044967 /nfs/dbraw/zinc/04/49/67/1211044967.db2.gz LCIXWUWUQYQIKZ-SJORKVTESA-N 2 2 361.490 0.527 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274408440 1211046163 /nfs/dbraw/zinc/04/61/63/1211046163.db2.gz OAILESRGIWPGBA-KSZLIROESA-N 2 2 361.490 0.669 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274408440 1211046166 /nfs/dbraw/zinc/04/61/66/1211046166.db2.gz OAILESRGIWPGBA-KSZLIROESA-N 2 2 361.490 0.669 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274424079 1211050927 /nfs/dbraw/zinc/05/09/27/1211050927.db2.gz YAGOUGLPITVFBU-MSOLQXFVSA-N 2 2 361.490 0.671 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274466462 1211060761 /nfs/dbraw/zinc/06/07/61/1211060761.db2.gz ZAOOAADIFYZKKN-IXDOHACOSA-N 2 2 361.490 0.668 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274466462 1211060765 /nfs/dbraw/zinc/06/07/65/1211060765.db2.gz ZAOOAADIFYZKKN-IXDOHACOSA-N 2 2 361.490 0.668 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC1CC1)C2 ZINC001274925177 1211145649 /nfs/dbraw/zinc/14/56/49/1211145649.db2.gz YPCOFECOEZAUOU-KRWDZBQOSA-N 2 2 362.518 0.873 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC1CC1)C2 ZINC001274925177 1211145651 /nfs/dbraw/zinc/14/56/51/1211145651.db2.gz YPCOFECOEZAUOU-KRWDZBQOSA-N 2 2 362.518 0.873 20 0 FCADLP CCC[C@@H](C)C[NH+]1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275081738 1211173944 /nfs/dbraw/zinc/17/39/44/1211173944.db2.gz IIGUTROAMQIXSR-GOSISDBHSA-N 2 2 366.550 0.973 20 0 FCADLP O=C1CC[C@H](C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149280 1211181251 /nfs/dbraw/zinc/18/12/51/1211181251.db2.gz WCMQIBPZHCMLMP-RDTXWAMCSA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@H](C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149280 1211181256 /nfs/dbraw/zinc/18/12/56/1211181256.db2.gz WCMQIBPZHCMLMP-RDTXWAMCSA-N 2 2 359.430 0.003 20 0 FCADLP CCC1(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)COC1 ZINC001275151722 1211182560 /nfs/dbraw/zinc/18/25/60/1211182560.db2.gz BHJOXWXFZIPZTJ-IBGZPJMESA-N 2 2 362.474 0.861 20 0 FCADLP CCC1(C[N@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)COC1 ZINC001275151722 1211182563 /nfs/dbraw/zinc/18/25/63/1211182563.db2.gz BHJOXWXFZIPZTJ-IBGZPJMESA-N 2 2 362.474 0.861 20 0 FCADLP CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171044 1211188066 /nfs/dbraw/zinc/18/80/66/1211188066.db2.gz BUFQNGVYQPQMPF-INIZCTEOSA-N 2 2 360.506 0.183 20 0 FCADLP CCn1ccnc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171044 1211188067 /nfs/dbraw/zinc/18/80/67/1211188067.db2.gz BUFQNGVYQPQMPF-INIZCTEOSA-N 2 2 360.506 0.183 20 0 FCADLP CCn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275171044 1211188068 /nfs/dbraw/zinc/18/80/68/1211188068.db2.gz BUFQNGVYQPQMPF-INIZCTEOSA-N 2 2 360.506 0.183 20 0 FCADLP CCn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275171044 1211188069 /nfs/dbraw/zinc/18/80/69/1211188069.db2.gz BUFQNGVYQPQMPF-INIZCTEOSA-N 2 2 360.506 0.183 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172435 1211188949 /nfs/dbraw/zinc/18/89/49/1211188949.db2.gz WZWGIMJEMAYOKE-GVDBMIGSSA-N 2 2 360.506 0.182 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCN3C)[C@@H]2C1 ZINC001275172435 1211188952 /nfs/dbraw/zinc/18/89/52/1211188952.db2.gz WZWGIMJEMAYOKE-GVDBMIGSSA-N 2 2 360.506 0.182 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCN3C)[C@@H]2C1 ZINC001275172435 1211188953 /nfs/dbraw/zinc/18/89/53/1211188953.db2.gz WZWGIMJEMAYOKE-GVDBMIGSSA-N 2 2 360.506 0.182 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)[C@@H]2C1 ZINC001275172435 1211188954 /nfs/dbraw/zinc/18/89/54/1211188954.db2.gz WZWGIMJEMAYOKE-GVDBMIGSSA-N 2 2 360.506 0.182 20 0 FCADLP C[C@@H]1CC(C[NH+]2CC3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C[C@@H](C)O1 ZINC001275313420 1211213865 /nfs/dbraw/zinc/21/38/65/1211213865.db2.gz DRIXAALZLYHGBT-HZPDHXFCSA-N 2 2 362.474 1.000 20 0 FCADLP C[C@@H]1CC(C[NH+]2CC3(C2)COCC(=O)N3CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC001275314782 1211213976 /nfs/dbraw/zinc/21/39/76/1211213976.db2.gz MWPPRFOBZBQAES-HZPDHXFCSA-N 2 2 362.474 1.000 20 0 FCADLP COCCOCN1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343753 1211219562 /nfs/dbraw/zinc/21/95/62/1211219562.db2.gz SDJXYSAEKJURBS-IBGZPJMESA-N 2 2 369.506 0.786 20 0 FCADLP COCCOCN1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343753 1211219565 /nfs/dbraw/zinc/21/95/65/1211219565.db2.gz SDJXYSAEKJURBS-IBGZPJMESA-N 2 2 369.506 0.786 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2C[C@]3(F)CN(C[C@H]4CCC(=O)N4)C(=O)[C@]3(F)C2)CC1 ZINC001275555488 1211256859 /nfs/dbraw/zinc/25/68/59/1211256859.db2.gz UWUNZKJESRLTGX-FHLIZLRMSA-N 2 2 370.444 0.181 20 0 FCADLP C[NH+]1CCC(C[N@H+]2C[C@]3(F)CN(C[C@H]4CCC(=O)N4)C(=O)[C@]3(F)C2)CC1 ZINC001275555488 1211256863 /nfs/dbraw/zinc/25/68/63/1211256863.db2.gz UWUNZKJESRLTGX-FHLIZLRMSA-N 2 2 370.444 0.181 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738039 1211279272 /nfs/dbraw/zinc/27/92/72/1211279272.db2.gz SCGBHINZJISFJA-LJQANCHMSA-N 3 2 361.490 0.471 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738039 1211279275 /nfs/dbraw/zinc/27/92/75/1211279275.db2.gz SCGBHINZJISFJA-LJQANCHMSA-N 3 2 361.490 0.471 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275742960 1211280185 /nfs/dbraw/zinc/28/01/85/1211280185.db2.gz JQJIVFQTXULLMK-JCGIZDLHSA-N 2 2 372.460 0.557 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275742960 1211280188 /nfs/dbraw/zinc/28/01/88/1211280188.db2.gz JQJIVFQTXULLMK-JCGIZDLHSA-N 2 2 372.460 0.557 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccncn3)C2)C1=O ZINC001275845241 1211297180 /nfs/dbraw/zinc/29/71/80/1211297180.db2.gz XYQQWTDTDHDICE-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccncn3)C2)C1=O ZINC001275845241 1211297183 /nfs/dbraw/zinc/29/71/83/1211297183.db2.gz XYQQWTDTDHDICE-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1cnc2cc(C[NH+]3CC4(C3)COCC(=O)N4CC[NH+](C)C)ccc21 ZINC001275908467 1211309246 /nfs/dbraw/zinc/30/92/46/1211309246.db2.gz FKXMFNGIECAMRY-UHFFFAOYSA-N 2 2 357.458 0.548 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001221256567 1225282721 /nfs/dbraw/zinc/28/27/21/1225282721.db2.gz CKLNTSZVBZDIAF-DLBZAZTESA-N 2 2 356.426 0.725 20 0 FCADLP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684582 1211447376 /nfs/dbraw/zinc/44/73/76/1211447376.db2.gz MJMKHJSFGHOUEE-QZWWFDLISA-N 2 2 360.502 0.957 20 0 FCADLP CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001095684582 1211447377 /nfs/dbraw/zinc/44/73/77/1211447377.db2.gz MJMKHJSFGHOUEE-QZWWFDLISA-N 2 2 360.502 0.957 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000925593453 1211502870 /nfs/dbraw/zinc/50/28/70/1211502870.db2.gz ARYQBFTWFBZLCB-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000925593453 1211502873 /nfs/dbraw/zinc/50/28/73/1211502873.db2.gz ARYQBFTWFBZLCB-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3C(=O)NCC34CCOCC4)[nH+]c2)C1 ZINC000925938498 1211510988 /nfs/dbraw/zinc/51/09/88/1211510988.db2.gz ZHUYCYWOLLLGEY-DOTOQJQBSA-N 2 2 359.474 0.929 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)c2)CC1 ZINC000927884795 1211590325 /nfs/dbraw/zinc/59/03/25/1211590325.db2.gz ZKKPGLFIDBUAMA-INIZCTEOSA-N 2 2 373.501 0.570 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941095 1211597625 /nfs/dbraw/zinc/59/76/25/1211597625.db2.gz ONXVINWLLPVHJO-WCXIOVBPSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941095 1211597626 /nfs/dbraw/zinc/59/76/26/1211597626.db2.gz ONXVINWLLPVHJO-WCXIOVBPSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941095 1211597627 /nfs/dbraw/zinc/59/76/27/1211597627.db2.gz ONXVINWLLPVHJO-WCXIOVBPSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941095 1211597628 /nfs/dbraw/zinc/59/76/28/1211597628.db2.gz ONXVINWLLPVHJO-WCXIOVBPSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000929472391 1211640502 /nfs/dbraw/zinc/64/05/02/1211640502.db2.gz OPJLFLJDDCFARA-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000929472391 1211640503 /nfs/dbraw/zinc/64/05/03/1211640503.db2.gz OPJLFLJDDCFARA-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000929472392 1211640598 /nfs/dbraw/zinc/64/05/98/1211640598.db2.gz OPJLFLJDDCFARA-SQNIBIBYSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000929472392 1211640601 /nfs/dbraw/zinc/64/06/01/1211640601.db2.gz OPJLFLJDDCFARA-SQNIBIBYSA-N 2 2 369.506 0.339 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980004 1211683428 /nfs/dbraw/zinc/68/34/28/1211683428.db2.gz MSYPBQWELOOHMZ-OIISXLGYSA-N 2 2 362.474 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980004 1211683434 /nfs/dbraw/zinc/68/34/34/1211683434.db2.gz MSYPBQWELOOHMZ-OIISXLGYSA-N 2 2 362.474 0.911 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000931486177 1211757701 /nfs/dbraw/zinc/75/77/01/1211757701.db2.gz NLBGKGCLNGEOEO-UHFFFAOYSA-N 3 2 374.529 0.719 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999165 1211792422 /nfs/dbraw/zinc/79/24/22/1211792422.db2.gz FAXGIECJNKQDLN-JKSUJKDBSA-N 2 2 360.458 0.814 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931999165 1211792426 /nfs/dbraw/zinc/79/24/26/1211792426.db2.gz FAXGIECJNKQDLN-JKSUJKDBSA-N 2 2 360.458 0.814 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111027965 1211801952 /nfs/dbraw/zinc/80/19/52/1211801952.db2.gz AQSSGDQULYIFAG-DGAVXFQQSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111027965 1211801954 /nfs/dbraw/zinc/80/19/54/1211801954.db2.gz AQSSGDQULYIFAG-DGAVXFQQSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111027965 1211801955 /nfs/dbraw/zinc/80/19/55/1211801955.db2.gz AQSSGDQULYIFAG-DGAVXFQQSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111027965 1211801958 /nfs/dbraw/zinc/80/19/58/1211801958.db2.gz AQSSGDQULYIFAG-DGAVXFQQSA-N 2 2 365.478 0.023 20 0 FCADLP O=C1NC[C@@H](O)CC12CC[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000932830283 1211823995 /nfs/dbraw/zinc/82/39/95/1211823995.db2.gz ARHKCYXHKPSSBH-IBGZPJMESA-N 2 2 373.497 0.982 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001111146870 1211899810 /nfs/dbraw/zinc/89/98/10/1211899810.db2.gz CXGPRHXODYPCJS-NCOADZHNSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001111146870 1211899812 /nfs/dbraw/zinc/89/98/12/1211899812.db2.gz CXGPRHXODYPCJS-NCOADZHNSA-N 2 2 364.490 0.099 20 0 FCADLP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151492 1211901247 /nfs/dbraw/zinc/90/12/47/1211901247.db2.gz CRXCFPCBNBWKSK-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151492 1211901251 /nfs/dbraw/zinc/90/12/51/1211901251.db2.gz CRXCFPCBNBWKSK-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198330 1211923662 /nfs/dbraw/zinc/92/36/62/1211923662.db2.gz UIKHYKOFQZKXPU-OIISXLGYSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198330 1211923665 /nfs/dbraw/zinc/92/36/65/1211923665.db2.gz UIKHYKOFQZKXPU-OIISXLGYSA-N 2 2 366.506 0.343 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111235018 1211937016 /nfs/dbraw/zinc/93/70/16/1211937016.db2.gz VQFGVZZSGVDZSF-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111235018 1211937019 /nfs/dbraw/zinc/93/70/19/1211937019.db2.gz VQFGVZZSGVDZSF-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111235018 1211937022 /nfs/dbraw/zinc/93/70/22/1211937022.db2.gz VQFGVZZSGVDZSF-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111235018 1211937027 /nfs/dbraw/zinc/93/70/27/1211937027.db2.gz VQFGVZZSGVDZSF-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001095772299 1211988240 /nfs/dbraw/zinc/98/82/40/1211988240.db2.gz OBLSUZCVALYXAV-HFTRVMKXSA-N 2 2 369.473 0.775 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001095772299 1211988247 /nfs/dbraw/zinc/98/82/47/1211988247.db2.gz OBLSUZCVALYXAV-HFTRVMKXSA-N 2 2 369.473 0.775 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784293 1211999436 /nfs/dbraw/zinc/99/94/36/1211999436.db2.gz LONIVTKNPHNIHJ-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784293 1211999441 /nfs/dbraw/zinc/99/94/41/1211999441.db2.gz LONIVTKNPHNIHJ-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784293 1211999448 /nfs/dbraw/zinc/99/94/48/1211999448.db2.gz LONIVTKNPHNIHJ-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784293 1211999451 /nfs/dbraw/zinc/99/94/51/1211999451.db2.gz LONIVTKNPHNIHJ-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(=O)n4[nH]ccc4n3)C2)CC[N@@H+]1C ZINC000968728416 1212102442 /nfs/dbraw/zinc/10/24/42/1212102442.db2.gz NODJAGLYURYHIM-UMVBOHGHSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(=O)n4[nH]ccc4n3)C2)CC[N@H+]1C ZINC000968728416 1212102444 /nfs/dbraw/zinc/10/24/44/1212102444.db2.gz NODJAGLYURYHIM-UMVBOHGHSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000948113751 1212133300 /nfs/dbraw/zinc/13/33/00/1212133300.db2.gz KUSSXPSGROFYSZ-XYPHTWIQSA-N 2 2 371.441 0.242 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000948113751 1212133305 /nfs/dbraw/zinc/13/33/05/1212133305.db2.gz KUSSXPSGROFYSZ-XYPHTWIQSA-N 2 2 371.441 0.242 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276193 1212190985 /nfs/dbraw/zinc/19/09/85/1212190985.db2.gz ISGCXTJSVMVQOK-ABFRBSLYSA-N 2 2 361.490 0.941 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276193 1212190990 /nfs/dbraw/zinc/19/09/90/1212190990.db2.gz ISGCXTJSVMVQOK-ABFRBSLYSA-N 2 2 361.490 0.941 20 0 FCADLP COc1ccnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)c1 ZINC001111277235 1212203685 /nfs/dbraw/zinc/20/36/85/1212203685.db2.gz HUGSKCATEGNSMZ-NXHRZFHOSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)c1 ZINC001111277235 1212203687 /nfs/dbraw/zinc/20/36/87/1212203687.db2.gz HUGSKCATEGNSMZ-NXHRZFHOSA-N 2 2 362.474 0.890 20 0 FCADLP CC1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000968976618 1212210839 /nfs/dbraw/zinc/21/08/39/1212210839.db2.gz LMARAIFKNSVFMZ-BZUAXINKSA-N 2 2 359.474 0.962 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281528 1212233075 /nfs/dbraw/zinc/23/30/75/1212233075.db2.gz WKIGTTCUTNVUNI-VQHPVUNQSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281528 1212233078 /nfs/dbraw/zinc/23/30/78/1212233078.db2.gz WKIGTTCUTNVUNI-VQHPVUNQSA-N 2 2 368.522 0.591 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000949110558 1212295512 /nfs/dbraw/zinc/29/55/12/1212295512.db2.gz VSJZVHIYTLCXNG-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000949110558 1212295519 /nfs/dbraw/zinc/29/55/19/1212295519.db2.gz VSJZVHIYTLCXNG-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000949110558 1212295522 /nfs/dbraw/zinc/29/55/22/1212295522.db2.gz VSJZVHIYTLCXNG-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000949110558 1212295527 /nfs/dbraw/zinc/29/55/27/1212295527.db2.gz VSJZVHIYTLCXNG-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCOC2(CC[NH+](CCCO)CC2)C1 ZINC000949194248 1212319470 /nfs/dbraw/zinc/31/94/70/1212319470.db2.gz MIQCXUMGGNWKFZ-HZPDHXFCSA-N 2 2 362.474 0.599 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c[nH+]1 ZINC000949197570 1212320881 /nfs/dbraw/zinc/32/08/81/1212320881.db2.gz YLYAWHUKKFHHIQ-FVQBIDKESA-N 2 2 361.490 0.841 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c[nH+]1 ZINC000949197570 1212320889 /nfs/dbraw/zinc/32/08/89/1212320889.db2.gz YLYAWHUKKFHHIQ-FVQBIDKESA-N 2 2 361.490 0.841 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000949208584 1212324670 /nfs/dbraw/zinc/32/46/70/1212324670.db2.gz SIBCOGBOLWYPAG-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949474987 1212386693 /nfs/dbraw/zinc/38/66/93/1212386693.db2.gz RKUGUPDWWSLOTP-BZUAXINKSA-N 2 2 362.474 0.598 20 0 FCADLP C[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949474987 1212386699 /nfs/dbraw/zinc/38/66/99/1212386699.db2.gz RKUGUPDWWSLOTP-BZUAXINKSA-N 2 2 362.474 0.598 20 0 FCADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000077765882 1212496825 /nfs/dbraw/zinc/49/68/25/1212496825.db2.gz MWDQIEFBDDJTAQ-UHFFFAOYSA-N 2 2 370.457 0.780 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001007615568 1212537962 /nfs/dbraw/zinc/53/79/62/1212537962.db2.gz AZUGITKNXCTSIC-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001007615568 1212537966 /nfs/dbraw/zinc/53/79/66/1212537966.db2.gz AZUGITKNXCTSIC-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001007615568 1212537967 /nfs/dbraw/zinc/53/79/67/1212537967.db2.gz AZUGITKNXCTSIC-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001007615568 1212537973 /nfs/dbraw/zinc/53/79/73/1212537973.db2.gz AZUGITKNXCTSIC-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001007703260 1212559281 /nfs/dbraw/zinc/55/92/81/1212559281.db2.gz UMWGRTPTXSQLNK-KXBFYZLASA-N 2 2 359.474 0.865 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001007703260 1212559289 /nfs/dbraw/zinc/55/92/89/1212559289.db2.gz UMWGRTPTXSQLNK-KXBFYZLASA-N 2 2 359.474 0.865 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000950583728 1212599561 /nfs/dbraw/zinc/59/95/61/1212599561.db2.gz BETHPBNJJYXJGK-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c[nH+]1 ZINC000950701221 1212634147 /nfs/dbraw/zinc/63/41/47/1212634147.db2.gz UIXLWIPUGQEXKM-VNQPRFMTSA-N 2 2 361.490 0.841 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c[nH+]1 ZINC000950701221 1212634150 /nfs/dbraw/zinc/63/41/50/1212634150.db2.gz UIXLWIPUGQEXKM-VNQPRFMTSA-N 2 2 361.490 0.841 20 0 FCADLP Cc1cc(NC2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc(C)[nH+]1 ZINC001111321656 1212642234 /nfs/dbraw/zinc/64/22/34/1212642234.db2.gz XTNFIGIXEXSMKJ-CABCVRRESA-N 2 2 360.462 0.207 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001008161298 1212647159 /nfs/dbraw/zinc/64/71/59/1212647159.db2.gz JCVDMQNKQPNKDX-LIRRHRJNSA-N 2 2 357.458 0.545 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001008495277 1212709588 /nfs/dbraw/zinc/70/95/88/1212709588.db2.gz BIKFKYLUJYTVHP-KSSFIOAISA-N 2 2 359.474 0.934 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC001008583220 1212719149 /nfs/dbraw/zinc/71/91/49/1212719149.db2.gz OTZFJPIVIHYCET-RBSFLKMASA-N 2 2 360.462 0.129 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC001008583220 1212719153 /nfs/dbraw/zinc/71/91/53/1212719153.db2.gz OTZFJPIVIHYCET-RBSFLKMASA-N 2 2 360.462 0.129 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000951235077 1212800380 /nfs/dbraw/zinc/80/03/80/1212800380.db2.gz SVEIVLPVNKXRFX-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP 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C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cnnn3C)C2)O1 ZINC001017154241 1214077533 /nfs/dbraw/zinc/07/75/33/1214077533.db2.gz SVLFTMPSWGUXBA-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cnnn3C)C2)O1 ZINC001017154241 1214077542 /nfs/dbraw/zinc/07/75/42/1214077542.db2.gz SVLFTMPSWGUXBA-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001017748977 1214142820 /nfs/dbraw/zinc/14/28/20/1214142820.db2.gz VJGCVVJMQURQSW-BRWVUGGUSA-N 2 2 371.485 0.750 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001017748977 1214142827 /nfs/dbraw/zinc/14/28/27/1214142827.db2.gz VJGCVVJMQURQSW-BRWVUGGUSA-N 2 2 371.485 0.750 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)CC1 ZINC001019147744 1214204403 /nfs/dbraw/zinc/20/44/03/1214204403.db2.gz CYEYDIIJYIUBHE-HZPDHXFCSA-N 2 2 371.485 0.916 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C3)C2)CC1 ZINC001019147744 1214204409 /nfs/dbraw/zinc/20/44/09/1214204409.db2.gz CYEYDIIJYIUBHE-HZPDHXFCSA-N 2 2 371.485 0.916 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)C1 ZINC001019206714 1214216883 /nfs/dbraw/zinc/21/68/83/1214216883.db2.gz BEBRHYBQKFHVFM-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)C1 ZINC001019206714 1214216888 /nfs/dbraw/zinc/21/68/88/1214216888.db2.gz BEBRHYBQKFHVFM-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)C1 ZINC001019206714 1214216894 /nfs/dbraw/zinc/21/68/94/1214216894.db2.gz BEBRHYBQKFHVFM-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)C1 ZINC001019206714 1214216901 /nfs/dbraw/zinc/21/69/01/1214216901.db2.gz BEBRHYBQKFHVFM-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872326 1225515533 /nfs/dbraw/zinc/51/55/33/1225515533.db2.gz XJWPHUZSGVPGCN-BRWVUGGUSA-N 2 2 366.506 0.286 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872326 1225515535 /nfs/dbraw/zinc/51/55/35/1225515535.db2.gz XJWPHUZSGVPGCN-BRWVUGGUSA-N 2 2 366.506 0.286 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221873201 1225516564 /nfs/dbraw/zinc/51/65/64/1225516564.db2.gz RLKKNZVMKRDTLY-NVXWUHKLSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221873201 1225516567 /nfs/dbraw/zinc/51/65/67/1225516567.db2.gz RLKKNZVMKRDTLY-NVXWUHKLSA-N 2 2 359.474 0.783 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001020165798 1214315104 /nfs/dbraw/zinc/31/51/04/1214315104.db2.gz ADMYSGJGXQORTD-KCYZZUKISA-N 2 2 369.473 0.719 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)O1 ZINC001020287839 1214329533 /nfs/dbraw/zinc/32/95/33/1214329533.db2.gz NBXDAGRTEYKKNP-DNNBLBMLSA-N 2 2 362.478 0.144 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)O1 ZINC001020287839 1214329542 /nfs/dbraw/zinc/32/95/42/1214329542.db2.gz NBXDAGRTEYKKNP-DNNBLBMLSA-N 2 2 362.478 0.144 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038264241 1214348145 /nfs/dbraw/zinc/34/81/45/1214348145.db2.gz WQRXLWBPKFTZCX-JZXOWHBKSA-N 2 2 366.506 0.012 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038264241 1214348150 /nfs/dbraw/zinc/34/81/50/1214348150.db2.gz WQRXLWBPKFTZCX-JZXOWHBKSA-N 2 2 366.506 0.012 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717233 1214367024 /nfs/dbraw/zinc/36/70/24/1214367024.db2.gz MTDGIWXXXQXFFH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717233 1214367028 /nfs/dbraw/zinc/36/70/28/1214367028.db2.gz MTDGIWXXXQXFFH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038717233 1214367033 /nfs/dbraw/zinc/36/70/33/1214367033.db2.gz MTDGIWXXXQXFFH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038717233 1214367037 /nfs/dbraw/zinc/36/70/37/1214367037.db2.gz MTDGIWXXXQXFFH-KURKYZTESA-N 2 2 358.486 0.611 20 0 FCADLP COc1cncc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC000961950539 1214374301 /nfs/dbraw/zinc/37/43/01/1214374301.db2.gz XCVGYFJCPPQTTK-BBNOBNGHSA-N 2 2 356.430 0.996 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ncnc5c4C[NH+](C)CC5)C[C@H]32)C1 ZINC001040636068 1214547575 /nfs/dbraw/zinc/54/75/75/1214547575.db2.gz CAZQVQUJKVIPHQ-RLFYNMQTSA-N 2 2 370.501 0.453 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ncnc5c4C[NH+](C)CC5)C[C@H]32)C1 ZINC001040636068 1214547582 /nfs/dbraw/zinc/54/75/82/1214547582.db2.gz CAZQVQUJKVIPHQ-RLFYNMQTSA-N 2 2 370.501 0.453 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ncnc5c4C[N@H+](C)CC5)C[C@H]32)C1 ZINC001040636068 1214547586 /nfs/dbraw/zinc/54/75/86/1214547586.db2.gz CAZQVQUJKVIPHQ-RLFYNMQTSA-N 2 2 370.501 0.453 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CN(c4ncnc5c4C[N@@H+](C)CC5)C[C@H]32)C1 ZINC001040636068 1214547593 /nfs/dbraw/zinc/54/75/93/1214547593.db2.gz CAZQVQUJKVIPHQ-RLFYNMQTSA-N 2 2 370.501 0.453 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c2c([nH+]1)CCCC2 ZINC001040944597 1214631345 /nfs/dbraw/zinc/63/13/45/1214631345.db2.gz LVODHELDBIUJCY-BRWVUGGUSA-N 2 2 359.474 0.424 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c2c([nH+]1)CCCC2 ZINC001040944597 1214631347 /nfs/dbraw/zinc/63/13/47/1214631347.db2.gz LVODHELDBIUJCY-BRWVUGGUSA-N 2 2 359.474 0.424 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCCCCn3cncn3)C[C@H]21 ZINC001221946946 1225546385 /nfs/dbraw/zinc/54/63/85/1225546385.db2.gz KFZUXHBJIFMTOL-SJLPKXTDSA-N 2 2 371.489 0.957 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCCCCn3cncn3)C[C@H]21 ZINC001221946946 1225546386 /nfs/dbraw/zinc/54/63/86/1225546386.db2.gz KFZUXHBJIFMTOL-SJLPKXTDSA-N 2 2 371.489 0.957 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950445 1225548697 /nfs/dbraw/zinc/54/86/97/1225548697.db2.gz IGWGXWFKHDVFDD-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950445 1225548703 /nfs/dbraw/zinc/54/87/03/1225548703.db2.gz IGWGXWFKHDVFDD-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)c(C)c(C)[nH+]1 ZINC001041138609 1214718225 /nfs/dbraw/zinc/71/82/25/1214718225.db2.gz DPUGMJRJDCRQPM-IAGOWNOFSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963151308 1214751885 /nfs/dbraw/zinc/75/18/85/1214751885.db2.gz HJYOFHSOPZJOGK-QBPKDAKJSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963151308 1214751892 /nfs/dbraw/zinc/75/18/92/1214751892.db2.gz HJYOFHSOPZJOGK-QBPKDAKJSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963333100 1214797995 /nfs/dbraw/zinc/79/79/95/1214797995.db2.gz JROHYHWDXWDWDV-WCXIOVBPSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963333100 1214798000 /nfs/dbraw/zinc/79/80/00/1214798000.db2.gz JROHYHWDXWDWDV-WCXIOVBPSA-N 2 2 359.474 0.815 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3O)ccn12 ZINC000963810783 1214855308 /nfs/dbraw/zinc/85/53/08/1214855308.db2.gz GKPMZAQTLBWXHJ-CVEARBPZSA-N 2 2 371.441 0.040 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cc2[nH]cc[nH+]2)CC3)CC[N@@H+]1C ZINC000963924414 1214875385 /nfs/dbraw/zinc/87/53/85/1214875385.db2.gz JFLXJROJWMTSLJ-KFWWJZLASA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC23CCN(C(=O)Cc2[nH]cc[nH+]2)CC3)CC[N@H+]1C ZINC000963924414 1214875386 /nfs/dbraw/zinc/87/53/86/1214875386.db2.gz JFLXJROJWMTSLJ-KFWWJZLASA-N 2 2 359.474 0.790 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222017878 1225577775 /nfs/dbraw/zinc/57/77/75/1225577775.db2.gz AGDRMHXRESFOKB-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222017878 1225577779 /nfs/dbraw/zinc/57/77/79/1225577779.db2.gz AGDRMHXRESFOKB-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000967368857 1215234115 /nfs/dbraw/zinc/23/41/15/1215234115.db2.gz QRWXQORTMBSDQN-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000967368857 1215234119 /nfs/dbraw/zinc/23/41/19/1215234119.db2.gz QRWXQORTMBSDQN-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000968011009 1215272480 /nfs/dbraw/zinc/27/24/80/1215272480.db2.gz VFBFERFKBVAKIQ-GDBMZVCRSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000968011009 1215272483 /nfs/dbraw/zinc/27/24/83/1215272483.db2.gz VFBFERFKBVAKIQ-GDBMZVCRSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000968098784 1215286619 /nfs/dbraw/zinc/28/66/19/1215286619.db2.gz XAAUVEGRGCXURY-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000968098784 1215286622 /nfs/dbraw/zinc/28/66/22/1215286622.db2.gz XAAUVEGRGCXURY-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000968098784 1215286625 /nfs/dbraw/zinc/28/66/25/1215286625.db2.gz XAAUVEGRGCXURY-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000968098784 1215286626 /nfs/dbraw/zinc/28/66/26/1215286626.db2.gz XAAUVEGRGCXURY-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276828124 1225609903 /nfs/dbraw/zinc/60/99/03/1225609903.db2.gz QXNRUGHWTZTMAJ-YJBOKZPZSA-N 2 2 364.446 0.264 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276828124 1225609906 /nfs/dbraw/zinc/60/99/06/1225609906.db2.gz QXNRUGHWTZTMAJ-YJBOKZPZSA-N 2 2 364.446 0.264 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](Cc4nnnn4C)CC3)CC2)CC[N@@H+]1C ZINC001000159475 1216013401 /nfs/dbraw/zinc/01/34/01/1216013401.db2.gz APLSTPUREDRNGH-UKRRQHHQSA-N 2 2 361.494 0.411 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](Cc4nnnn4C)CC3)CC2)CC[N@H+]1C ZINC001000159475 1216013406 /nfs/dbraw/zinc/01/34/06/1216013406.db2.gz APLSTPUREDRNGH-UKRRQHHQSA-N 2 2 361.494 0.411 20 0 FCADLP C[NH+]1CCN(c2ccc(CN3CC[NH2+]C[C@]4(CCCCN4)C3)cn2)CC1 ZINC001222684140 1225646187 /nfs/dbraw/zinc/64/61/87/1225646187.db2.gz CODMYJRNPJQAEE-HXUWFJFHSA-N 2 2 358.534 0.751 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC001001427007 1216198755 /nfs/dbraw/zinc/19/87/55/1216198755.db2.gz ZRPGHOKHJLXEMR-VNQPRFMTSA-N 2 2 363.510 0.830 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC001001427007 1216198768 /nfs/dbraw/zinc/19/87/68/1216198768.db2.gz ZRPGHOKHJLXEMR-VNQPRFMTSA-N 2 2 363.510 0.830 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050553212 1216333948 /nfs/dbraw/zinc/33/39/48/1216333948.db2.gz XRLZCOXUJNJAHC-FMKPAKJESA-N 2 2 357.458 0.716 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cnnn1C)CC2 ZINC001050669849 1216347687 /nfs/dbraw/zinc/34/76/87/1216347687.db2.gz QBOSWZORBBSMNF-HZPDHXFCSA-N 2 2 369.473 0.777 20 0 FCADLP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843391 1225662191 /nfs/dbraw/zinc/66/21/91/1225662191.db2.gz FYRMIJVGYZCGRN-KDOFPFPSSA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843391 1225662194 /nfs/dbraw/zinc/66/21/94/1225662194.db2.gz FYRMIJVGYZCGRN-KDOFPFPSSA-N 2 2 362.430 0.676 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](n3ccnn3)C2)nc(C)[nH+]1 ZINC001051423652 1216439553 /nfs/dbraw/zinc/43/95/53/1216439553.db2.gz KMVJJHUQHWMJAV-OAGGEKHMSA-N 2 2 370.461 0.325 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](n3ccnn3)C2)nc(C)[nH+]1 ZINC001051423652 1216439557 /nfs/dbraw/zinc/43/95/57/1216439557.db2.gz KMVJJHUQHWMJAV-OAGGEKHMSA-N 2 2 370.461 0.325 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223012512 1225673094 /nfs/dbraw/zinc/67/30/94/1225673094.db2.gz DWVSYQXYHCTAPA-RYRKJORJSA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223012512 1225673097 /nfs/dbraw/zinc/67/30/97/1225673097.db2.gz DWVSYQXYHCTAPA-RYRKJORJSA-N 2 2 362.474 0.377 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834204 1216485064 /nfs/dbraw/zinc/48/50/64/1216485064.db2.gz JJTQNNGFVZOTQG-RBSFLKMASA-N 2 2 359.430 0.837 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834389 1216485208 /nfs/dbraw/zinc/48/52/08/1216485208.db2.gz MCTPULAXYGMKAZ-RBSFLKMASA-N 2 2 358.446 0.274 20 0 FCADLP CC(C)=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043202 1216491658 /nfs/dbraw/zinc/49/16/58/1216491658.db2.gz REMQDFRUFOVZKY-CEXWTWQISA-N 2 2 364.534 0.890 20 0 FCADLP CC(C)=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043202 1216491663 /nfs/dbraw/zinc/49/16/63/1216491663.db2.gz REMQDFRUFOVZKY-CEXWTWQISA-N 2 2 364.534 0.890 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1)[NH+](C)C ZINC001052401803 1216550555 /nfs/dbraw/zinc/55/05/55/1216550555.db2.gz ONRWDJNCRXQFQH-MUKKUYKPSA-N 2 2 371.489 0.988 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nc1 ZINC001052489910 1216561634 /nfs/dbraw/zinc/56/16/34/1216561634.db2.gz RBVFYAQKPZBIOX-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nc1 ZINC001052489910 1216561641 /nfs/dbraw/zinc/56/16/41/1216561641.db2.gz RBVFYAQKPZBIOX-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nc1 ZINC001052489910 1216561647 /nfs/dbraw/zinc/56/16/47/1216561647.db2.gz RBVFYAQKPZBIOX-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nc1 ZINC001052489910 1216561656 /nfs/dbraw/zinc/56/16/56/1216561656.db2.gz RBVFYAQKPZBIOX-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP Cn1c(=O)cccc1C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276868765 1225686477 /nfs/dbraw/zinc/68/64/77/1225686477.db2.gz RWXQXURBSHDODM-LJQANCHMSA-N 2 2 355.442 0.849 20 0 FCADLP Cn1c(=O)cccc1C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276868765 1225686480 /nfs/dbraw/zinc/68/64/80/1225686480.db2.gz RWXQXURBSHDODM-LJQANCHMSA-N 2 2 355.442 0.849 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930303 1216849233 /nfs/dbraw/zinc/84/92/33/1216849233.db2.gz ARPQDTZWGGDLAK-DZUCGIPZSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930303 1216849235 /nfs/dbraw/zinc/84/92/35/1216849235.db2.gz ARPQDTZWGGDLAK-DZUCGIPZSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930303 1216849237 /nfs/dbraw/zinc/84/92/37/1216849237.db2.gz ARPQDTZWGGDLAK-DZUCGIPZSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930303 1216849241 /nfs/dbraw/zinc/84/92/41/1216849241.db2.gz ARPQDTZWGGDLAK-DZUCGIPZSA-N 2 2 373.461 0.456 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959229 1216868105 /nfs/dbraw/zinc/86/81/05/1216868105.db2.gz KZOIVTVOIKNYDU-VUCTXSBTSA-N 2 2 369.429 0.845 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959229 1216868107 /nfs/dbraw/zinc/86/81/07/1216868107.db2.gz KZOIVTVOIKNYDU-VUCTXSBTSA-N 2 2 369.429 0.845 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962168 1216869112 /nfs/dbraw/zinc/86/91/12/1216869112.db2.gz IDUHSYCSLVDRTN-XHSDSOJGSA-N 2 2 357.462 0.879 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962168 1216869115 /nfs/dbraw/zinc/86/91/15/1216869115.db2.gz IDUHSYCSLVDRTN-XHSDSOJGSA-N 2 2 357.462 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963692 1216870637 /nfs/dbraw/zinc/87/06/37/1216870637.db2.gz OUIAJZXETLKBSV-UAGQMJEPSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963692 1216870639 /nfs/dbraw/zinc/87/06/39/1216870639.db2.gz OUIAJZXETLKBSV-UAGQMJEPSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001069963874 1216870698 /nfs/dbraw/zinc/87/06/98/1216870698.db2.gz SEBNUBJFSLZYEB-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001069963874 1216870700 /nfs/dbraw/zinc/87/07/00/1216870700.db2.gz SEBNUBJFSLZYEB-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001070040912 1216917069 /nfs/dbraw/zinc/91/70/69/1216917069.db2.gz LPRCVLOSOKCJKF-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001070040912 1216917074 /nfs/dbraw/zinc/91/70/74/1216917074.db2.gz LPRCVLOSOKCJKF-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572876 1225718052 /nfs/dbraw/zinc/71/80/52/1225718052.db2.gz VDJKCYUSEILVEV-ZBFHGGJFSA-N 2 2 363.462 0.028 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572876 1225718055 /nfs/dbraw/zinc/71/80/55/1225718055.db2.gz VDJKCYUSEILVEV-ZBFHGGJFSA-N 2 2 363.462 0.028 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)cc(C)[nH+]1 ZINC001041250992 1217254883 /nfs/dbraw/zinc/25/48/83/1217254883.db2.gz SEPMEGBDDPLYBQ-HZPDHXFCSA-N 2 2 366.425 0.975 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3occc3C[NH+](C)C)C2)nc(C)[nH+]1 ZINC001041317075 1217280083 /nfs/dbraw/zinc/28/00/83/1217280083.db2.gz DEVGOOGXVDWABD-HUUCEWRRSA-N 2 2 359.430 0.728 20 0 FCADLP CCn1ccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916930 1225746591 /nfs/dbraw/zinc/74/65/91/1225746591.db2.gz UQOHKOZJYGVDJI-SJORKVTESA-N 2 2 363.506 0.904 20 0 FCADLP CCn1ccnc1C[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916930 1225746598 /nfs/dbraw/zinc/74/65/98/1225746598.db2.gz UQOHKOZJYGVDJI-SJORKVTESA-N 2 2 363.506 0.904 20 0 FCADLP CO[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001042862199 1217488388 /nfs/dbraw/zinc/48/83/88/1217488388.db2.gz XDZHITYCVMQZMZ-HZPDHXFCSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043256296 1217614399 /nfs/dbraw/zinc/61/43/99/1217614399.db2.gz DTZLWDNMZINASL-TZMCWYRMSA-N 2 2 355.446 0.718 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)[nH+]1 ZINC001043512382 1217667521 /nfs/dbraw/zinc/66/75/21/1217667521.db2.gz NXOYRUMRJLDXIP-VNHYZAJKSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)[nH+]1 ZINC001043512382 1217667525 /nfs/dbraw/zinc/66/75/25/1217667525.db2.gz NXOYRUMRJLDXIP-VNHYZAJKSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043727280 1217719750 /nfs/dbraw/zinc/71/97/50/1217719750.db2.gz MPNDXPSZBDOVKK-YESZJQIVSA-N 2 2 359.474 0.770 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043727280 1217719751 /nfs/dbraw/zinc/71/97/51/1217719751.db2.gz MPNDXPSZBDOVKK-YESZJQIVSA-N 2 2 359.474 0.770 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)nc(C)[nH+]1 ZINC001043729230 1217721471 /nfs/dbraw/zinc/72/14/71/1217721471.db2.gz KVYQSFPHKPLDON-DLBZAZTESA-N 2 2 359.474 0.859 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044059317 1217799412 /nfs/dbraw/zinc/79/94/12/1217799412.db2.gz OPEZNUZSKBNNRR-ZBFHGGJFSA-N 2 2 356.430 0.534 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21)NC1CC1 ZINC001224306959 1225771948 /nfs/dbraw/zinc/77/19/48/1225771948.db2.gz QTGDDOCWVGXPIP-WBVHZDCISA-N 2 2 359.474 0.865 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21)NC1CC1 ZINC001224306959 1225771951 /nfs/dbraw/zinc/77/19/51/1225771951.db2.gz QTGDDOCWVGXPIP-WBVHZDCISA-N 2 2 359.474 0.865 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044547146 1217854088 /nfs/dbraw/zinc/85/40/88/1217854088.db2.gz MKBBXMVQQXPDQO-WQVCFCJDSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044547146 1217854089 /nfs/dbraw/zinc/85/40/89/1217854089.db2.gz MKBBXMVQQXPDQO-WQVCFCJDSA-N 2 2 359.474 0.670 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001045041855 1217895991 /nfs/dbraw/zinc/89/59/91/1217895991.db2.gz ZSNCAIKHBILOLJ-LZWOXQAQSA-N 2 2 369.473 0.742 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001045041855 1217895994 /nfs/dbraw/zinc/89/59/94/1217895994.db2.gz ZSNCAIKHBILOLJ-LZWOXQAQSA-N 2 2 369.473 0.742 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N(C)C)C2 ZINC001096019801 1217922144 /nfs/dbraw/zinc/92/21/44/1217922144.db2.gz XNKXMHCZLUQJKV-JHNDHUHGSA-N 2 2 359.474 0.564 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N(C)C)C2 ZINC001096019801 1217922149 /nfs/dbraw/zinc/92/21/49/1217922149.db2.gz XNKXMHCZLUQJKV-JHNDHUHGSA-N 2 2 359.474 0.564 20 0 FCADLP CC1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[NH+](CCCO)CC1 ZINC001045511512 1217935934 /nfs/dbraw/zinc/93/59/34/1217935934.db2.gz QMZLYIIUYZNJTH-SJORKVTESA-N 2 2 369.506 0.219 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001045563743 1217942045 /nfs/dbraw/zinc/94/20/45/1217942045.db2.gz KDFLTIRFVPEWEE-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199086 1217970157 /nfs/dbraw/zinc/97/01/57/1217970157.db2.gz OYMYDGXABVOLIO-YVWKXTFCSA-N 2 2 360.502 0.768 20 0 FCADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199086 1217970160 /nfs/dbraw/zinc/97/01/60/1217970160.db2.gz OYMYDGXABVOLIO-YVWKXTFCSA-N 2 2 360.502 0.768 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000900647062 1218017280 /nfs/dbraw/zinc/01/72/80/1218017280.db2.gz MHZOPKNUFAPPJB-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000900647062 1218017285 /nfs/dbraw/zinc/01/72/85/1218017285.db2.gz MHZOPKNUFAPPJB-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000900647062 1218017286 /nfs/dbraw/zinc/01/72/86/1218017286.db2.gz MHZOPKNUFAPPJB-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000900647062 1218017290 /nfs/dbraw/zinc/01/72/90/1218017290.db2.gz MHZOPKNUFAPPJB-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815368 1218041658 /nfs/dbraw/zinc/04/16/58/1218041658.db2.gz IRGYGQRTDHTTIU-CAIZAGQASA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815368 1218041665 /nfs/dbraw/zinc/04/16/65/1218041665.db2.gz IRGYGQRTDHTTIU-CAIZAGQASA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900815368 1218041670 /nfs/dbraw/zinc/04/16/70/1218041670.db2.gz IRGYGQRTDHTTIU-CAIZAGQASA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900815368 1218041673 /nfs/dbraw/zinc/04/16/73/1218041673.db2.gz IRGYGQRTDHTTIU-CAIZAGQASA-N 2 2 361.486 0.847 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)nn1 ZINC001096354488 1218262147 /nfs/dbraw/zinc/26/21/47/1218262147.db2.gz IEKJSPADGHBGLX-PMPSAXMXSA-N 2 2 357.458 0.803 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)nn1 ZINC001096354488 1218262151 /nfs/dbraw/zinc/26/21/51/1218262151.db2.gz IEKJSPADGHBGLX-PMPSAXMXSA-N 2 2 357.458 0.803 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)c4nnnn4C)C[C@@H]3C2)CC[N@@H+]1C ZINC001048830814 1218325136 /nfs/dbraw/zinc/32/51/36/1218325136.db2.gz WKMMGCHKOULHSN-RBGFHDKUSA-N 2 2 361.494 0.392 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H](C)c4nnnn4C)C[C@@H]3C2)CC[N@H+]1C ZINC001048830814 1218325146 /nfs/dbraw/zinc/32/51/46/1218325146.db2.gz WKMMGCHKOULHSN-RBGFHDKUSA-N 2 2 361.494 0.392 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H](C)c4nnnn4C)C[C@@H]3C2)CC[NH+]1C ZINC001048830814 1218325152 /nfs/dbraw/zinc/32/51/52/1218325152.db2.gz WKMMGCHKOULHSN-RBGFHDKUSA-N 2 2 361.494 0.392 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)c4nnnn4C)C[C@@H]3C2)CC[NH+]1C ZINC001048830814 1218325158 /nfs/dbraw/zinc/32/51/58/1218325158.db2.gz WKMMGCHKOULHSN-RBGFHDKUSA-N 2 2 361.494 0.392 20 0 FCADLP O=C1C[C@]2(CN1C1COC1)COCC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001277043824 1225811801 /nfs/dbraw/zinc/81/18/01/1225811801.db2.gz GMVPLMFRWSYNMF-IBGZPJMESA-N 2 2 356.426 0.784 20 0 FCADLP O=C1C[C@]2(CN1C1COC1)COCC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001277043824 1225811805 /nfs/dbraw/zinc/81/18/05/1225811805.db2.gz GMVPLMFRWSYNMF-IBGZPJMESA-N 2 2 356.426 0.784 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048873749 1218331708 /nfs/dbraw/zinc/33/17/08/1218331708.db2.gz VJFBGDTYBJGIEM-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048873749 1218331714 /nfs/dbraw/zinc/33/17/14/1218331714.db2.gz VJFBGDTYBJGIEM-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048873749 1218331720 /nfs/dbraw/zinc/33/17/20/1218331720.db2.gz VJFBGDTYBJGIEM-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048873749 1218331725 /nfs/dbraw/zinc/33/17/25/1218331725.db2.gz VJFBGDTYBJGIEM-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873812 1218333299 /nfs/dbraw/zinc/33/32/99/1218333299.db2.gz XVJKPOXOLCBISO-ZVDSWSACSA-N 2 2 367.457 0.682 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873812 1218333307 /nfs/dbraw/zinc/33/33/07/1218333307.db2.gz XVJKPOXOLCBISO-ZVDSWSACSA-N 2 2 367.457 0.682 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873812 1218333316 /nfs/dbraw/zinc/33/33/16/1218333316.db2.gz XVJKPOXOLCBISO-ZVDSWSACSA-N 2 2 367.457 0.682 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873812 1218333322 /nfs/dbraw/zinc/33/33/22/1218333322.db2.gz XVJKPOXOLCBISO-ZVDSWSACSA-N 2 2 367.457 0.682 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)nn1C ZINC001048890020 1218335453 /nfs/dbraw/zinc/33/54/53/1218335453.db2.gz DGWAWVIONFOGQO-XLMAVXFVSA-N 2 2 361.490 0.338 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)nn1C ZINC001048890020 1218335460 /nfs/dbraw/zinc/33/54/60/1218335460.db2.gz DGWAWVIONFOGQO-XLMAVXFVSA-N 2 2 361.490 0.338 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)nn1C ZINC001048890020 1218335466 /nfs/dbraw/zinc/33/54/66/1218335466.db2.gz DGWAWVIONFOGQO-XLMAVXFVSA-N 2 2 361.490 0.338 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)nn1C ZINC001048890020 1218335472 /nfs/dbraw/zinc/33/54/72/1218335472.db2.gz DGWAWVIONFOGQO-XLMAVXFVSA-N 2 2 361.490 0.338 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncc(F)c4)C[C@@H]3C2)O1 ZINC001048891310 1218336867 /nfs/dbraw/zinc/33/68/67/1218336867.db2.gz NOXKTKPWTYKAGZ-NYCLONFESA-N 2 2 362.449 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncc(F)c4)C[C@@H]3C2)O1 ZINC001048891310 1218336874 /nfs/dbraw/zinc/33/68/74/1218336874.db2.gz NOXKTKPWTYKAGZ-NYCLONFESA-N 2 2 362.449 0.830 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncc(F)c4)C[C@@H]3C2)O1 ZINC001048891310 1218336880 /nfs/dbraw/zinc/33/68/80/1218336880.db2.gz NOXKTKPWTYKAGZ-NYCLONFESA-N 2 2 362.449 0.830 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncc(F)c4)C[C@@H]3C2)O1 ZINC001048891310 1218336886 /nfs/dbraw/zinc/33/68/86/1218336886.db2.gz NOXKTKPWTYKAGZ-NYCLONFESA-N 2 2 362.449 0.830 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000803176100 1218360587 /nfs/dbraw/zinc/36/05/87/1218360587.db2.gz MEWIQLSEDGZAMY-HNNXBMFYSA-N 2 2 353.426 0.841 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000803176100 1218360593 /nfs/dbraw/zinc/36/05/93/1218360593.db2.gz MEWIQLSEDGZAMY-HNNXBMFYSA-N 2 2 353.426 0.841 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(N)ccnc1F)C2 ZINC001277055600 1225815503 /nfs/dbraw/zinc/81/55/03/1225815503.db2.gz WATOUZHDGCMJEY-SFHVURJKSA-N 2 2 365.453 0.415 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(N)ccnc1F)C2 ZINC001277055600 1225815504 /nfs/dbraw/zinc/81/55/04/1225815504.db2.gz WATOUZHDGCMJEY-SFHVURJKSA-N 2 2 365.453 0.415 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547213 1218483187 /nfs/dbraw/zinc/48/31/87/1218483187.db2.gz BTNFUPXJGZZULO-BSWAZPDLSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547213 1218483193 /nfs/dbraw/zinc/48/31/93/1218483193.db2.gz BTNFUPXJGZZULO-BSWAZPDLSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cnnn2C)O1 ZINC001049547213 1218483199 /nfs/dbraw/zinc/48/31/99/1218483199.db2.gz BTNFUPXJGZZULO-BSWAZPDLSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cnnn2C)O1 ZINC001049547213 1218483208 /nfs/dbraw/zinc/48/32/08/1218483208.db2.gz BTNFUPXJGZZULO-BSWAZPDLSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549482 1218484174 /nfs/dbraw/zinc/48/41/74/1218484174.db2.gz QAIFAOPHQWZBSK-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549482 1218484179 /nfs/dbraw/zinc/48/41/79/1218484179.db2.gz QAIFAOPHQWZBSK-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)O1 ZINC001049549482 1218484186 /nfs/dbraw/zinc/48/41/86/1218484186.db2.gz QAIFAOPHQWZBSK-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)N2CCC2)O1 ZINC001049549482 1218484194 /nfs/dbraw/zinc/48/41/94/1218484194.db2.gz QAIFAOPHQWZBSK-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001096582958 1218565374 /nfs/dbraw/zinc/56/53/74/1218565374.db2.gz IKEXHPLYPHTGRE-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001096582958 1218565384 /nfs/dbraw/zinc/56/53/84/1218565384.db2.gz IKEXHPLYPHTGRE-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)C1 ZINC001096582958 1218565393 /nfs/dbraw/zinc/56/53/93/1218565393.db2.gz IKEXHPLYPHTGRE-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)C1 ZINC001096582958 1218565403 /nfs/dbraw/zinc/56/54/03/1218565403.db2.gz IKEXHPLYPHTGRE-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001097112725 1218691852 /nfs/dbraw/zinc/69/18/52/1218691852.db2.gz BDHKLMQISQHUCY-ZACQAIPSSA-N 2 2 369.473 0.775 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001097112725 1218691856 /nfs/dbraw/zinc/69/18/56/1218691856.db2.gz BDHKLMQISQHUCY-ZACQAIPSSA-N 2 2 369.473 0.775 20 0 FCADLP Cc1ncc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)o1 ZINC001277115845 1225839053 /nfs/dbraw/zinc/83/90/53/1225839053.db2.gz JGVQFMCGJBTNRT-GOSISDBHSA-N 2 2 359.430 0.931 20 0 FCADLP Cc1ncc(C[N@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)o1 ZINC001277115845 1225839054 /nfs/dbraw/zinc/83/90/54/1225839054.db2.gz JGVQFMCGJBTNRT-GOSISDBHSA-N 2 2 359.430 0.931 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097341655 1218782958 /nfs/dbraw/zinc/78/29/58/1218782958.db2.gz WBAHUKHWVDZFTP-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097341655 1218782966 /nfs/dbraw/zinc/78/29/66/1218782966.db2.gz WBAHUKHWVDZFTP-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001097341655 1218782979 /nfs/dbraw/zinc/78/29/79/1218782979.db2.gz WBAHUKHWVDZFTP-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001097341655 1218782984 /nfs/dbraw/zinc/78/29/84/1218782984.db2.gz WBAHUKHWVDZFTP-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)N1CCC1 ZINC001097442754 1218806280 /nfs/dbraw/zinc/80/62/80/1218806280.db2.gz CTPOZTCXFPOJJL-OIISXLGYSA-N 2 2 353.426 0.902 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)N1CCC1 ZINC001097442754 1218806281 /nfs/dbraw/zinc/80/62/81/1218806281.db2.gz CTPOZTCXFPOJJL-OIISXLGYSA-N 2 2 353.426 0.902 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001097551368 1218817417 /nfs/dbraw/zinc/81/74/17/1218817417.db2.gz HFYRIFDFFFDSOL-NCOADZHNSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001097551368 1218817420 /nfs/dbraw/zinc/81/74/20/1218817420.db2.gz HFYRIFDFFFDSOL-NCOADZHNSA-N 2 2 359.474 0.922 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564856 1218820047 /nfs/dbraw/zinc/82/00/47/1218820047.db2.gz WBODOVIZOCGQSS-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564856 1218820048 /nfs/dbraw/zinc/82/00/48/1218820048.db2.gz WBODOVIZOCGQSS-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097564856 1218820049 /nfs/dbraw/zinc/82/00/49/1218820049.db2.gz WBODOVIZOCGQSS-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097564856 1218820051 /nfs/dbraw/zinc/82/00/51/1218820051.db2.gz WBODOVIZOCGQSS-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001097860909 1218854044 /nfs/dbraw/zinc/85/40/44/1218854044.db2.gz UKVJOJWANYXBSR-KBXIAJHMSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001097860909 1218854047 /nfs/dbraw/zinc/85/40/47/1218854047.db2.gz UKVJOJWANYXBSR-KBXIAJHMSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001097860909 1218854048 /nfs/dbraw/zinc/85/40/48/1218854048.db2.gz UKVJOJWANYXBSR-KBXIAJHMSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001097860909 1218854050 /nfs/dbraw/zinc/85/40/50/1218854050.db2.gz UKVJOJWANYXBSR-KBXIAJHMSA-N 2 2 362.474 0.245 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052724949 1218860201 /nfs/dbraw/zinc/86/02/01/1218860201.db2.gz FOZDDDAKMFCCPQ-NUEKZKHPSA-N 2 2 357.462 0.823 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052724949 1218860203 /nfs/dbraw/zinc/86/02/03/1218860203.db2.gz FOZDDDAKMFCCPQ-NUEKZKHPSA-N 2 2 357.462 0.823 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736533 1218861895 /nfs/dbraw/zinc/86/18/95/1218861895.db2.gz JNWWHMXNDIRSLN-RBSFLKMASA-N 2 2 355.446 0.568 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736533 1218861897 /nfs/dbraw/zinc/86/18/97/1218861897.db2.gz JNWWHMXNDIRSLN-RBSFLKMASA-N 2 2 355.446 0.568 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1)[NH+](C)C ZINC001052741648 1218863051 /nfs/dbraw/zinc/86/30/51/1218863051.db2.gz WGZDMVYTBLFSTN-RBSFLKMASA-N 2 2 357.462 0.957 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)CC[N@@H+]1C ZINC001053209409 1218875465 /nfs/dbraw/zinc/87/54/65/1218875465.db2.gz KKNDOOMIFDYTLC-KBUPBQIOSA-N 2 2 371.489 0.892 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)CC[N@H+]1C ZINC001053209409 1218875466 /nfs/dbraw/zinc/87/54/66/1218875466.db2.gz KKNDOOMIFDYTLC-KBUPBQIOSA-N 2 2 371.489 0.892 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CN(Cc4c[nH+]cn4C)C3)C2)CC[N@@H+]1C ZINC001053265181 1218878112 /nfs/dbraw/zinc/87/81/12/1218878112.db2.gz GRCOQTRUSADKSH-DLBZAZTESA-N 2 2 361.490 0.564 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC3(CN(Cc4c[nH+]cn4C)C3)C2)CC[N@H+]1C ZINC001053265181 1218878113 /nfs/dbraw/zinc/87/81/13/1218878113.db2.gz GRCOQTRUSADKSH-DLBZAZTESA-N 2 2 361.490 0.564 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001097958636 1218955359 /nfs/dbraw/zinc/95/53/59/1218955359.db2.gz ZJNQVXBSEVYPEM-OAGGEKHMSA-N 2 2 374.489 0.753 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001097958636 1218955366 /nfs/dbraw/zinc/95/53/66/1218955366.db2.gz ZJNQVXBSEVYPEM-OAGGEKHMSA-N 2 2 374.489 0.753 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227176192 1225865533 /nfs/dbraw/zinc/86/55/33/1225865533.db2.gz UZCFLFQZKPUMAC-BZUAXINKSA-N 2 2 361.490 0.941 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001055534539 1219070579 /nfs/dbraw/zinc/07/05/79/1219070579.db2.gz DNABHPVXCNDLMO-LIRRHRJNSA-N 2 2 369.473 0.934 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055535063 1219070820 /nfs/dbraw/zinc/07/08/20/1219070820.db2.gz PEQATXVFDUXQAU-NJSLBKSFSA-N 2 2 369.473 0.790 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001055535063 1219070822 /nfs/dbraw/zinc/07/08/22/1219070822.db2.gz PEQATXVFDUXQAU-NJSLBKSFSA-N 2 2 369.473 0.790 20 0 FCADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073611 1225863284 /nfs/dbraw/zinc/86/32/84/1225863284.db2.gz PUOFASAHWWFCHU-CHWSQXEVSA-N 2 2 358.402 0.388 20 0 FCADLP C[C@H]1C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055594765 1219093742 /nfs/dbraw/zinc/09/37/42/1219093742.db2.gz LAKBBMHIBISUOT-HDEZJCGLSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@H]1C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055594765 1219093746 /nfs/dbraw/zinc/09/37/46/1219093746.db2.gz LAKBBMHIBISUOT-HDEZJCGLSA-N 2 2 366.506 0.058 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077596 1219146088 /nfs/dbraw/zinc/14/60/88/1219146088.db2.gz KHNASNKTHFYQAN-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077596 1219146092 /nfs/dbraw/zinc/14/60/92/1219146092.db2.gz KHNASNKTHFYQAN-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070095137 1219165484 /nfs/dbraw/zinc/16/54/84/1219165484.db2.gz XLRCMFQATHEROK-ZACQAIPSSA-N 2 2 362.478 0.285 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070095137 1219165490 /nfs/dbraw/zinc/16/54/90/1219165490.db2.gz XLRCMFQATHEROK-ZACQAIPSSA-N 2 2 362.478 0.285 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)no1 ZINC001070196493 1219287264 /nfs/dbraw/zinc/28/72/64/1219287264.db2.gz AOYJCAPDOCGUGG-DZUCGIPZSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)no1 ZINC001070196493 1219287267 /nfs/dbraw/zinc/28/72/67/1219287267.db2.gz AOYJCAPDOCGUGG-DZUCGIPZSA-N 2 2 373.461 0.456 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001227662495 1225881487 /nfs/dbraw/zinc/88/14/87/1225881487.db2.gz CBSSOEWDVJZYAS-HZPDHXFCSA-N 2 2 361.490 0.896 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001227673731 1225881585 /nfs/dbraw/zinc/88/15/85/1225881585.db2.gz SLLDTFGZARDVGX-HUUCEWRRSA-N 2 2 362.478 0.395 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC)[C@@H](n2ccnn2)C1 ZINC001070241670 1219313695 /nfs/dbraw/zinc/31/36/95/1219313695.db2.gz SKLUSQKBCVHYBP-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC)[C@@H](n2ccnn2)C1 ZINC001070241670 1219313697 /nfs/dbraw/zinc/31/36/97/1219313697.db2.gz SKLUSQKBCVHYBP-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070337172 1219384982 /nfs/dbraw/zinc/38/49/82/1219384982.db2.gz QQIBDKWQVUGPRO-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP CC1(C)CC(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2n2ccnn2)C1 ZINC001070337993 1219385721 /nfs/dbraw/zinc/38/57/21/1219385721.db2.gz QBUWNHZMIZBZKC-CVEARBPZSA-N 2 2 357.462 0.953 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cncn1C ZINC001070659731 1219512444 /nfs/dbraw/zinc/51/24/44/1219512444.db2.gz ZQOSXFULEQUYKE-DXCKQFNASA-N 2 2 368.441 0.875 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC)C1 ZINC001070671386 1219517767 /nfs/dbraw/zinc/51/77/67/1219517767.db2.gz LOTSOCZCIYFVPV-JFIYKMOQSA-N 2 2 363.506 0.825 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC)C1 ZINC001070671386 1219517770 /nfs/dbraw/zinc/51/77/70/1219517770.db2.gz LOTSOCZCIYFVPV-JFIYKMOQSA-N 2 2 363.506 0.825 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCO ZINC001070688851 1219526470 /nfs/dbraw/zinc/52/64/70/1219526470.db2.gz VKOVPFVEMKNKEZ-UMVBOHGHSA-N 2 2 358.446 0.140 20 0 FCADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070723800 1219543441 /nfs/dbraw/zinc/54/34/41/1219543441.db2.gz QVRHFESSFLFQTM-HZPDHXFCSA-N 2 2 369.429 0.697 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001070915121 1219568955 /nfs/dbraw/zinc/56/89/55/1219568955.db2.gz PKILIAGFKYISHX-XHSDSOJGSA-N 2 2 361.446 0.706 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001070915121 1219568959 /nfs/dbraw/zinc/56/89/59/1219568959.db2.gz PKILIAGFKYISHX-XHSDSOJGSA-N 2 2 361.446 0.706 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922263 1219579320 /nfs/dbraw/zinc/57/93/20/1219579320.db2.gz FNOBKDDAGBLAEM-IMJJTQAJSA-N 2 2 361.446 0.479 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922263 1219579324 /nfs/dbraw/zinc/57/93/24/1219579324.db2.gz FNOBKDDAGBLAEM-IMJJTQAJSA-N 2 2 361.446 0.479 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001070927302 1219584380 /nfs/dbraw/zinc/58/43/80/1219584380.db2.gz WNUFAGDSCBBYTJ-ZNMIVQPWSA-N 2 2 365.409 0.349 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001070927302 1219584384 /nfs/dbraw/zinc/58/43/84/1219584384.db2.gz WNUFAGDSCBBYTJ-ZNMIVQPWSA-N 2 2 365.409 0.349 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001071074610 1219600939 /nfs/dbraw/zinc/60/09/39/1219600939.db2.gz QCNFHMWTDLDRAK-GMBSWORKSA-N 2 2 364.490 0.719 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001071362582 1219614963 /nfs/dbraw/zinc/61/49/63/1219614963.db2.gz SNSLABSZZIOQEZ-FPCVCCKLSA-N 2 2 361.490 0.971 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072752290 1219621882 /nfs/dbraw/zinc/62/18/82/1219621882.db2.gz DDMDJVPSPQEZID-HZPDHXFCSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1 ZINC001072752290 1219621885 /nfs/dbraw/zinc/62/18/85/1219621885.db2.gz DDMDJVPSPQEZID-HZPDHXFCSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072752290 1219621889 /nfs/dbraw/zinc/62/18/89/1219621889.db2.gz DDMDJVPSPQEZID-HZPDHXFCSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)n1 ZINC001072752290 1219621891 /nfs/dbraw/zinc/62/18/91/1219621891.db2.gz DDMDJVPSPQEZID-HZPDHXFCSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752152 1219622200 /nfs/dbraw/zinc/62/22/00/1219622200.db2.gz XAWGEZIDLANHDO-GDBMZVCRSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752152 1219622203 /nfs/dbraw/zinc/62/22/03/1219622203.db2.gz XAWGEZIDLANHDO-GDBMZVCRSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752152 1219622204 /nfs/dbraw/zinc/62/22/04/1219622204.db2.gz XAWGEZIDLANHDO-GDBMZVCRSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752152 1219622207 /nfs/dbraw/zinc/62/22/07/1219622207.db2.gz XAWGEZIDLANHDO-GDBMZVCRSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1cc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)nn1 ZINC001072849855 1219625268 /nfs/dbraw/zinc/62/52/68/1219625268.db2.gz NFFZIKRHEBATAI-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP CCn1cc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)nn1 ZINC001072849855 1219625271 /nfs/dbraw/zinc/62/52/71/1219625271.db2.gz NFFZIKRHEBATAI-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP CCn1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)nn1 ZINC001072849855 1219625273 /nfs/dbraw/zinc/62/52/73/1219625273.db2.gz NFFZIKRHEBATAI-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP CCn1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)nn1 ZINC001072849855 1219625275 /nfs/dbraw/zinc/62/52/75/1219625275.db2.gz NFFZIKRHEBATAI-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001072994579 1219629651 /nfs/dbraw/zinc/62/96/51/1219629651.db2.gz IJPBJDZIXWSFEB-KFWWJZLASA-N 2 2 357.458 0.337 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCCNC1=O)C2 ZINC001072994579 1219629656 /nfs/dbraw/zinc/62/96/56/1219629656.db2.gz IJPBJDZIXWSFEB-KFWWJZLASA-N 2 2 357.458 0.337 20 0 FCADLP Cc1cnc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001073610862 1219672772 /nfs/dbraw/zinc/67/27/72/1219672772.db2.gz GISYFMQLGRSRRM-BPQIPLTHSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001073610862 1219672775 /nfs/dbraw/zinc/67/27/75/1219672775.db2.gz GISYFMQLGRSRRM-BPQIPLTHSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073610862 1219672778 /nfs/dbraw/zinc/67/27/78/1219672778.db2.gz GISYFMQLGRSRRM-BPQIPLTHSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073610862 1219672781 /nfs/dbraw/zinc/67/27/81/1219672781.db2.gz GISYFMQLGRSRRM-BPQIPLTHSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001073611521 1219673879 /nfs/dbraw/zinc/67/38/79/1219673879.db2.gz ZIWFZOIPBZILCM-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001073611521 1219673883 /nfs/dbraw/zinc/67/38/83/1219673883.db2.gz ZIWFZOIPBZILCM-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001073611521 1219673887 /nfs/dbraw/zinc/67/38/87/1219673887.db2.gz ZIWFZOIPBZILCM-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001073611521 1219673889 /nfs/dbraw/zinc/67/38/89/1219673889.db2.gz ZIWFZOIPBZILCM-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccn3)CCCO2)O1 ZINC001073660603 1219675150 /nfs/dbraw/zinc/67/51/50/1219675150.db2.gz JXIILIYITYMQNK-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccn3)CCCO2)O1 ZINC001073660603 1219675154 /nfs/dbraw/zinc/67/51/54/1219675154.db2.gz JXIILIYITYMQNK-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccn3)CCCO2)O1 ZINC001073660603 1219675156 /nfs/dbraw/zinc/67/51/56/1219675156.db2.gz JXIILIYITYMQNK-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccn3)CCCO2)O1 ZINC001073660603 1219675159 /nfs/dbraw/zinc/67/51/59/1219675159.db2.gz JXIILIYITYMQNK-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccccn3)CCCO2)O1 ZINC001073660602 1219675570 /nfs/dbraw/zinc/67/55/70/1219675570.db2.gz JXIILIYITYMQNK-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccccn3)CCCO2)O1 ZINC001073660602 1219675573 /nfs/dbraw/zinc/67/55/73/1219675573.db2.gz JXIILIYITYMQNK-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccn3)CCCO2)O1 ZINC001073660602 1219675575 /nfs/dbraw/zinc/67/55/75/1219675575.db2.gz JXIILIYITYMQNK-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccn3)CCCO2)O1 ZINC001073660602 1219675577 /nfs/dbraw/zinc/67/55/77/1219675577.db2.gz JXIILIYITYMQNK-BPQIPLTHSA-N 2 2 362.474 0.508 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098218228 1219742037 /nfs/dbraw/zinc/74/20/37/1219742037.db2.gz ZZWVHAPFAZZBSU-SIXLDLHFSA-N 2 2 359.474 0.693 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098218228 1219742038 /nfs/dbraw/zinc/74/20/38/1219742038.db2.gz ZZWVHAPFAZZBSU-SIXLDLHFSA-N 2 2 359.474 0.693 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001098220737 1219743138 /nfs/dbraw/zinc/74/31/38/1219743138.db2.gz JNTMESRYLMDAGJ-ABFRBSLYSA-N 2 2 359.474 0.600 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001098220737 1219743144 /nfs/dbraw/zinc/74/31/44/1219743144.db2.gz JNTMESRYLMDAGJ-ABFRBSLYSA-N 2 2 359.474 0.600 20 0 FCADLP COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)c(C)n1 ZINC001098394817 1219772109 /nfs/dbraw/zinc/77/21/09/1219772109.db2.gz SFBMLZCNIPWWEY-SVGFKBNWSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)c(C)n1 ZINC001098394817 1219772112 /nfs/dbraw/zinc/77/21/12/1219772112.db2.gz SFBMLZCNIPWWEY-SVGFKBNWSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)c(C)n1 ZINC001098394817 1219772114 /nfs/dbraw/zinc/77/21/14/1219772114.db2.gz SFBMLZCNIPWWEY-SVGFKBNWSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)c(C)n1 ZINC001098394817 1219772115 /nfs/dbraw/zinc/77/21/15/1219772115.db2.gz SFBMLZCNIPWWEY-SVGFKBNWSA-N 2 2 359.474 0.967 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000749732157 1219808028 /nfs/dbraw/zinc/80/80/28/1219808028.db2.gz OAXKNRCOWIPGOL-QGZVFWFLSA-N 2 2 359.474 0.313 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000749732157 1219808031 /nfs/dbraw/zinc/80/80/31/1219808031.db2.gz OAXKNRCOWIPGOL-QGZVFWFLSA-N 2 2 359.474 0.313 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000749732157 1219808033 /nfs/dbraw/zinc/80/80/33/1219808033.db2.gz OAXKNRCOWIPGOL-QGZVFWFLSA-N 2 2 359.474 0.313 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000749732157 1219808035 /nfs/dbraw/zinc/80/80/35/1219808035.db2.gz OAXKNRCOWIPGOL-QGZVFWFLSA-N 2 2 359.474 0.313 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001098841747 1219838516 /nfs/dbraw/zinc/83/85/16/1219838516.db2.gz PUAAUHXYMWOAFS-IEZWGBDMSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001098841747 1219838517 /nfs/dbraw/zinc/83/85/17/1219838517.db2.gz PUAAUHXYMWOAFS-IEZWGBDMSA-N 2 2 358.490 0.628 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1)N1CCC1 ZINC001098911652 1219860002 /nfs/dbraw/zinc/86/00/02/1219860002.db2.gz WLQBJZSXBZUISZ-FTRWYGJKSA-N 2 2 371.485 0.649 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1)N1CCC1 ZINC001098911652 1219860005 /nfs/dbraw/zinc/86/00/05/1219860005.db2.gz WLQBJZSXBZUISZ-FTRWYGJKSA-N 2 2 371.485 0.649 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCCC[NH+]3C)C2)nc1=O ZINC001098985244 1219881382 /nfs/dbraw/zinc/88/13/82/1219881382.db2.gz ZMNPSWOXIOAXOJ-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCCC[NH+]3C)C2)nc1=O ZINC001098985244 1219881385 /nfs/dbraw/zinc/88/13/85/1219881385.db2.gz ZMNPSWOXIOAXOJ-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001098985244 1219881387 /nfs/dbraw/zinc/88/13/87/1219881387.db2.gz ZMNPSWOXIOAXOJ-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc1=O ZINC001098985244 1219881390 /nfs/dbraw/zinc/88/13/90/1219881390.db2.gz ZMNPSWOXIOAXOJ-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000750234394 1219887042 /nfs/dbraw/zinc/88/70/42/1219887042.db2.gz YDRBNVYPJFSDHF-UHFFFAOYSA-N 2 2 363.462 0.622 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001111465220 1219898643 /nfs/dbraw/zinc/89/86/43/1219898643.db2.gz JLAXNXXYKKDPRT-KFWWJZLASA-N 2 2 365.478 0.036 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001111465220 1219898645 /nfs/dbraw/zinc/89/86/45/1219898645.db2.gz JLAXNXXYKKDPRT-KFWWJZLASA-N 2 2 365.478 0.036 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111465220 1219898647 /nfs/dbraw/zinc/89/86/47/1219898647.db2.gz JLAXNXXYKKDPRT-KFWWJZLASA-N 2 2 365.478 0.036 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111465220 1219898649 /nfs/dbraw/zinc/89/86/49/1219898649.db2.gz JLAXNXXYKKDPRT-KFWWJZLASA-N 2 2 365.478 0.036 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC2CC2)C3)CC1 ZINC001099094679 1219909793 /nfs/dbraw/zinc/90/97/93/1219909793.db2.gz ZWZZCLYCDKNKIX-JXFKEZNVSA-N 2 2 362.518 0.968 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC2CC2)C3)CC1 ZINC001099094679 1219909797 /nfs/dbraw/zinc/90/97/97/1219909797.db2.gz ZWZZCLYCDKNKIX-JXFKEZNVSA-N 2 2 362.518 0.968 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001099137948 1219925279 /nfs/dbraw/zinc/92/52/79/1219925279.db2.gz KRQYVUOKPWZGMN-NJSLBKSFSA-N 2 2 359.474 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)NC1CC1)C2 ZINC001099137948 1219925284 /nfs/dbraw/zinc/92/52/84/1219925284.db2.gz KRQYVUOKPWZGMN-NJSLBKSFSA-N 2 2 359.474 0.898 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnnn2C)C3)C1 ZINC001099172045 1219939288 /nfs/dbraw/zinc/93/92/88/1219939288.db2.gz QAEZCFKEFKFVFR-ZVZYQTTQSA-N 2 2 362.478 0.007 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnnn2C)C3)C1 ZINC001099172045 1219939291 /nfs/dbraw/zinc/93/92/91/1219939291.db2.gz QAEZCFKEFKFVFR-ZVZYQTTQSA-N 2 2 362.478 0.007 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnnn2C)C3)C1 ZINC001099172045 1219939295 /nfs/dbraw/zinc/93/92/95/1219939295.db2.gz QAEZCFKEFKFVFR-ZVZYQTTQSA-N 2 2 362.478 0.007 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnnn2C)C3)C1 ZINC001099172045 1219939298 /nfs/dbraw/zinc/93/92/98/1219939298.db2.gz QAEZCFKEFKFVFR-ZVZYQTTQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001099332518 1219969763 /nfs/dbraw/zinc/96/97/63/1219969763.db2.gz FCVONLCTWIREMV-CHWSQXEVSA-N 2 2 371.407 0.995 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001099333198 1219969811 /nfs/dbraw/zinc/96/98/11/1219969811.db2.gz RMDMYGOYNMQGDB-ZIAGYGMSSA-N 2 2 370.379 0.875 20 0 FCADLP Cn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2[nH]cc[nH+]2)C3)n1 ZINC001099426423 1219990476 /nfs/dbraw/zinc/99/04/76/1219990476.db2.gz VPXQPKIYABHMOB-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]c[nH+]2)C3)C1=O ZINC001099443956 1219998383 /nfs/dbraw/zinc/99/83/83/1219998383.db2.gz KIMWLUQQXKAECV-QOKNQOGYSA-N 2 2 359.474 0.791 20 0 FCADLP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH+]c[nH]2)C3)C1=O ZINC001099443956 1219998387 /nfs/dbraw/zinc/99/83/87/1219998387.db2.gz KIMWLUQQXKAECV-QOKNQOGYSA-N 2 2 359.474 0.791 20 0 FCADLP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001099473073 1220007415 /nfs/dbraw/zinc/00/74/15/1220007415.db2.gz VBHWDWQZPNYGPI-YJBOKZPZSA-N 2 2 357.462 0.820 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001099504820 1220016158 /nfs/dbraw/zinc/01/61/58/1220016158.db2.gz BBBYHFPFAWVQMF-GMBSWORKSA-N 2 2 369.473 0.950 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001099525576 1220023951 /nfs/dbraw/zinc/02/39/51/1220023951.db2.gz JHQOTICDPVFUBA-GMBSWORKSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099532592 1220025401 /nfs/dbraw/zinc/02/54/01/1220025401.db2.gz BUKOGMQOXSUPNW-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099532359 1220025679 /nfs/dbraw/zinc/02/56/79/1220025679.db2.gz SYRZWNATGZTPOS-KSSFIOAISA-N 2 2 357.462 0.808 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000751304456 1220033213 /nfs/dbraw/zinc/03/32/13/1220033213.db2.gz WVULNCODODVRRE-UHFFFAOYSA-N 2 2 360.502 0.643 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001099768048 1220034923 /nfs/dbraw/zinc/03/49/23/1220034923.db2.gz VBJSSCGGEFUPCP-OUCADQQQSA-N 2 2 361.450 0.389 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001099768048 1220034927 /nfs/dbraw/zinc/03/49/27/1220034927.db2.gz VBJSSCGGEFUPCP-OUCADQQQSA-N 2 2 361.450 0.389 20 0 FCADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1C ZINC000754510256 1220113058 /nfs/dbraw/zinc/11/30/58/1220113058.db2.gz IRXPIKKPNFBIIE-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1C ZINC000754510256 1220113061 /nfs/dbraw/zinc/11/30/61/1220113061.db2.gz IRXPIKKPNFBIIE-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001101213992 1220230045 /nfs/dbraw/zinc/23/00/45/1220230045.db2.gz INYZIFSLYTUEGV-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001101213992 1220230050 /nfs/dbraw/zinc/23/00/50/1220230050.db2.gz INYZIFSLYTUEGV-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001101214237 1220230706 /nfs/dbraw/zinc/23/07/06/1220230706.db2.gz UHONUKSBWOANKX-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001101214237 1220230711 /nfs/dbraw/zinc/23/07/11/1220230711.db2.gz UHONUKSBWOANKX-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001101257298 1220250356 /nfs/dbraw/zinc/25/03/56/1220250356.db2.gz OAPKMZIBSOFMKL-HFTRVMKXSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001101257298 1220250358 /nfs/dbraw/zinc/25/03/58/1220250358.db2.gz OAPKMZIBSOFMKL-HFTRVMKXSA-N 2 2 366.485 0.775 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)c[nH+]1 ZINC001101277571 1220263255 /nfs/dbraw/zinc/26/32/55/1220263255.db2.gz NTNINHVFRNEKRK-APWZRJJASA-N 2 2 364.490 0.716 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)c[nH+]1 ZINC001101277571 1220263258 /nfs/dbraw/zinc/26/32/58/1220263258.db2.gz NTNINHVFRNEKRK-APWZRJJASA-N 2 2 364.490 0.716 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101283236 1220267090 /nfs/dbraw/zinc/26/70/90/1220267090.db2.gz YIVQGTNQFQITAQ-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101283236 1220267092 /nfs/dbraw/zinc/26/70/92/1220267092.db2.gz YIVQGTNQFQITAQ-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101297038 1220274741 /nfs/dbraw/zinc/27/47/41/1220274741.db2.gz LKTBKIIUZNLXMH-VCBZYWHSSA-N 2 2 358.442 0.736 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101297038 1220274745 /nfs/dbraw/zinc/27/47/45/1220274745.db2.gz LKTBKIIUZNLXMH-VCBZYWHSSA-N 2 2 358.442 0.736 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101316995 1220284607 /nfs/dbraw/zinc/28/46/07/1220284607.db2.gz BBHWAWKVHBFFKT-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101316995 1220284610 /nfs/dbraw/zinc/28/46/10/1220284610.db2.gz BBHWAWKVHBFFKT-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001101350054 1220297439 /nfs/dbraw/zinc/29/74/39/1220297439.db2.gz SWZYRHWWJIXKQJ-AYBZRNKSSA-N 2 2 359.474 0.647 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001101350054 1220297442 /nfs/dbraw/zinc/29/74/42/1220297442.db2.gz SWZYRHWWJIXKQJ-AYBZRNKSSA-N 2 2 359.474 0.647 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001101350054 1220297446 /nfs/dbraw/zinc/29/74/46/1220297446.db2.gz SWZYRHWWJIXKQJ-AYBZRNKSSA-N 2 2 359.474 0.647 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001101350054 1220297450 /nfs/dbraw/zinc/29/74/50/1220297450.db2.gz SWZYRHWWJIXKQJ-AYBZRNKSSA-N 2 2 359.474 0.647 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101397651 1220322866 /nfs/dbraw/zinc/32/28/66/1220322866.db2.gz AZFPOUOEQSOZHA-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101397651 1220322869 /nfs/dbraw/zinc/32/28/69/1220322869.db2.gz AZFPOUOEQSOZHA-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101431357 1220340735 /nfs/dbraw/zinc/34/07/35/1220340735.db2.gz LJFYFDLHDGJJHI-QAPCUYQASA-N 2 2 364.494 0.157 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101431357 1220340740 /nfs/dbraw/zinc/34/07/40/1220340740.db2.gz LJFYFDLHDGJJHI-QAPCUYQASA-N 2 2 364.494 0.157 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101445011 1220348042 /nfs/dbraw/zinc/34/80/42/1220348042.db2.gz WPGRHYFRIQQXRA-KUHUBIRLSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]2(C)C1 ZINC001101445011 1220348046 /nfs/dbraw/zinc/34/80/46/1220348046.db2.gz WPGRHYFRIQQXRA-KUHUBIRLSA-N 2 2 361.490 0.956 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101445908 1220348930 /nfs/dbraw/zinc/34/89/30/1220348930.db2.gz KCTQXSGZMZDAAT-CLCXKQKWSA-N 2 2 361.490 0.956 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101445908 1220348935 /nfs/dbraw/zinc/34/89/35/1220348935.db2.gz KCTQXSGZMZDAAT-CLCXKQKWSA-N 2 2 361.490 0.956 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)n1 ZINC001101477306 1220368570 /nfs/dbraw/zinc/36/85/70/1220368570.db2.gz NJBWHCYNOHRDLA-KDOFPFPSSA-N 2 2 365.478 0.837 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)n1 ZINC001101477306 1220368574 /nfs/dbraw/zinc/36/85/74/1220368574.db2.gz NJBWHCYNOHRDLA-KDOFPFPSSA-N 2 2 365.478 0.837 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@]3(C)C2)n1 ZINC001101477306 1220368578 /nfs/dbraw/zinc/36/85/78/1220368578.db2.gz NJBWHCYNOHRDLA-KDOFPFPSSA-N 2 2 365.478 0.837 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+](C)C(C)C)C[C@]3(C)C2)n1 ZINC001101477306 1220368580 /nfs/dbraw/zinc/36/85/80/1220368580.db2.gz NJBWHCYNOHRDLA-KDOFPFPSSA-N 2 2 365.478 0.837 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487962 1220371396 /nfs/dbraw/zinc/37/13/96/1220371396.db2.gz CXALHGKQUCKENW-MDZRGWNJSA-N 2 2 361.490 0.920 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487962 1220371400 /nfs/dbraw/zinc/37/14/00/1220371400.db2.gz CXALHGKQUCKENW-MDZRGWNJSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101488161 1220371952 /nfs/dbraw/zinc/37/19/52/1220371952.db2.gz PHGSMIDEIBUSMS-LMMKCTJWSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101488161 1220371956 /nfs/dbraw/zinc/37/19/56/1220371956.db2.gz PHGSMIDEIBUSMS-LMMKCTJWSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047489 1220477141 /nfs/dbraw/zinc/47/71/41/1220477141.db2.gz IXFJGALGAOLMTL-SUYBPPKGSA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047489 1220477143 /nfs/dbraw/zinc/47/71/43/1220477143.db2.gz IXFJGALGAOLMTL-SUYBPPKGSA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051630 1220479205 /nfs/dbraw/zinc/47/92/05/1220479205.db2.gz BJLHXRHXIYUOGL-ZIAGYGMSSA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051630 1220479206 /nfs/dbraw/zinc/47/92/06/1220479206.db2.gz BJLHXRHXIYUOGL-ZIAGYGMSSA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102051630 1220479209 /nfs/dbraw/zinc/47/92/09/1220479209.db2.gz BJLHXRHXIYUOGL-ZIAGYGMSSA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102051630 1220479211 /nfs/dbraw/zinc/47/92/11/1220479211.db2.gz BJLHXRHXIYUOGL-ZIAGYGMSSA-N 2 2 363.462 0.782 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084970 1220490996 /nfs/dbraw/zinc/49/09/96/1220490996.db2.gz RQHHWWWTLIVBAI-NVXWUHKLSA-N 2 2 365.474 0.980 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102084970 1220490998 /nfs/dbraw/zinc/49/09/98/1220490998.db2.gz RQHHWWWTLIVBAI-NVXWUHKLSA-N 2 2 365.474 0.980 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088386 1220491910 /nfs/dbraw/zinc/49/19/10/1220491910.db2.gz UKWRVNUTXUUNNS-BZUAXINKSA-N 2 2 365.526 0.998 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088386 1220491915 /nfs/dbraw/zinc/49/19/15/1220491915.db2.gz UKWRVNUTXUUNNS-BZUAXINKSA-N 2 2 365.526 0.998 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104108 1220496060 /nfs/dbraw/zinc/49/60/60/1220496060.db2.gz GHZBXFDADMYLTL-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104108 1220496062 /nfs/dbraw/zinc/49/60/62/1220496062.db2.gz GHZBXFDADMYLTL-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105228 1220498551 /nfs/dbraw/zinc/49/85/51/1220498551.db2.gz JZUCAGNIOVQRFZ-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105228 1220498553 /nfs/dbraw/zinc/49/85/53/1220498553.db2.gz JZUCAGNIOVQRFZ-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177112 1220536374 /nfs/dbraw/zinc/53/63/74/1220536374.db2.gz JIZVCNBHRPAIKM-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177112 1220536385 /nfs/dbraw/zinc/53/63/85/1220536385.db2.gz JIZVCNBHRPAIKM-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203865 1220550027 /nfs/dbraw/zinc/55/00/27/1220550027.db2.gz JSJMSCOEWZZTAI-ZACQAIPSSA-N 2 2 360.462 0.215 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203865 1220550034 /nfs/dbraw/zinc/55/00/34/1220550034.db2.gz JSJMSCOEWZZTAI-ZACQAIPSSA-N 2 2 360.462 0.215 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370254 1220595432 /nfs/dbraw/zinc/59/54/32/1220595432.db2.gz VKPDMVUJFJAYJJ-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370254 1220595443 /nfs/dbraw/zinc/59/54/43/1220595443.db2.gz VKPDMVUJFJAYJJ-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370254 1220595448 /nfs/dbraw/zinc/59/54/48/1220595448.db2.gz VKPDMVUJFJAYJJ-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370254 1220595456 /nfs/dbraw/zinc/59/54/56/1220595456.db2.gz VKPDMVUJFJAYJJ-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC001102371528 1220598364 /nfs/dbraw/zinc/59/83/64/1220598364.db2.gz HIPFKOITRZEUNB-RBSFLKMASA-N 2 2 363.462 0.639 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC001102371528 1220598367 /nfs/dbraw/zinc/59/83/67/1220598367.db2.gz HIPFKOITRZEUNB-RBSFLKMASA-N 2 2 363.462 0.639 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC001102371528 1220598369 /nfs/dbraw/zinc/59/83/69/1220598369.db2.gz HIPFKOITRZEUNB-RBSFLKMASA-N 2 2 363.462 0.639 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC001102371528 1220598374 /nfs/dbraw/zinc/59/83/74/1220598374.db2.gz HIPFKOITRZEUNB-RBSFLKMASA-N 2 2 363.462 0.639 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102373908 1220598424 /nfs/dbraw/zinc/59/84/24/1220598424.db2.gz RXCQGVNANBIZAX-ZIAGYGMSSA-N 2 2 364.494 0.024 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001102373908 1220598426 /nfs/dbraw/zinc/59/84/26/1220598426.db2.gz RXCQGVNANBIZAX-ZIAGYGMSSA-N 2 2 364.494 0.024 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001102373908 1220598430 /nfs/dbraw/zinc/59/84/30/1220598430.db2.gz RXCQGVNANBIZAX-ZIAGYGMSSA-N 2 2 364.494 0.024 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001102373908 1220598435 /nfs/dbraw/zinc/59/84/35/1220598435.db2.gz RXCQGVNANBIZAX-ZIAGYGMSSA-N 2 2 364.494 0.024 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001102377263 1220600430 /nfs/dbraw/zinc/60/04/30/1220600430.db2.gz WPNWQKUHDGSEIR-KFWWJZLASA-N 2 2 365.526 0.952 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001102377263 1220600431 /nfs/dbraw/zinc/60/04/31/1220600431.db2.gz WPNWQKUHDGSEIR-KFWWJZLASA-N 2 2 365.526 0.952 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406425 1220613023 /nfs/dbraw/zinc/61/30/23/1220613023.db2.gz SBBFOQYQDQFVBK-HZPDHXFCSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406425 1220613026 /nfs/dbraw/zinc/61/30/26/1220613026.db2.gz SBBFOQYQDQFVBK-HZPDHXFCSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419500 1220617153 /nfs/dbraw/zinc/61/71/53/1220617153.db2.gz HXPBTTGYYYMTSV-OWCLPIDISA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419500 1220617159 /nfs/dbraw/zinc/61/71/59/1220617159.db2.gz HXPBTTGYYYMTSV-OWCLPIDISA-N 2 2 366.506 0.189 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102454917 1220630124 /nfs/dbraw/zinc/63/01/24/1220630124.db2.gz YNWBKOKYDCDUAV-RBSFLKMASA-N 2 2 361.490 0.893 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102454917 1220630126 /nfs/dbraw/zinc/63/01/26/1220630126.db2.gz YNWBKOKYDCDUAV-RBSFLKMASA-N 2 2 361.490 0.893 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102466889 1220637116 /nfs/dbraw/zinc/63/71/16/1220637116.db2.gz XPSYIZUNJDSNHS-GDBMZVCRSA-N 2 2 359.478 0.985 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001102466889 1220637121 /nfs/dbraw/zinc/63/71/21/1220637121.db2.gz XPSYIZUNJDSNHS-GDBMZVCRSA-N 2 2 359.478 0.985 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)on1 ZINC001102468492 1220638504 /nfs/dbraw/zinc/63/85/04/1220638504.db2.gz KYYAFIOTSODJJJ-HUUCEWRRSA-N 2 2 366.462 0.590 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)on1 ZINC001102468492 1220638506 /nfs/dbraw/zinc/63/85/06/1220638506.db2.gz KYYAFIOTSODJJJ-HUUCEWRRSA-N 2 2 366.462 0.590 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102468589 1220638634 /nfs/dbraw/zinc/63/86/34/1220638634.db2.gz PQWLBDMCIQOYPY-IAGOWNOFSA-N 2 2 363.506 0.809 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102468589 1220638637 /nfs/dbraw/zinc/63/86/37/1220638637.db2.gz PQWLBDMCIQOYPY-IAGOWNOFSA-N 2 2 363.506 0.809 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102469059 1220639144 /nfs/dbraw/zinc/63/91/44/1220639144.db2.gz NMOQJXDUHJDCSV-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102469059 1220639148 /nfs/dbraw/zinc/63/91/48/1220639148.db2.gz NMOQJXDUHJDCSV-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP Cc1noc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102469236 1220640080 /nfs/dbraw/zinc/64/00/80/1220640080.db2.gz XAZXDUFFGWWRMY-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP Cc1noc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102469236 1220640082 /nfs/dbraw/zinc/64/00/82/1220640082.db2.gz XAZXDUFFGWWRMY-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)n1 ZINC001102512759 1220671398 /nfs/dbraw/zinc/67/13/98/1220671398.db2.gz BSNIICDNBJYKMJ-ZIAGYGMSSA-N 2 2 358.446 0.646 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)n1 ZINC001102512759 1220671402 /nfs/dbraw/zinc/67/14/02/1220671402.db2.gz BSNIICDNBJYKMJ-ZIAGYGMSSA-N 2 2 358.446 0.646 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)o1 ZINC001229141682 1225983935 /nfs/dbraw/zinc/98/39/35/1225983935.db2.gz HRZLOBYLTUBRGL-HUUCEWRRSA-N 2 2 365.478 0.871 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513307 1220671794 /nfs/dbraw/zinc/67/17/94/1220671794.db2.gz FENOOLYHWFMWJR-JFIYKMOQSA-N 2 2 364.490 0.842 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513307 1220671796 /nfs/dbraw/zinc/67/17/96/1220671796.db2.gz FENOOLYHWFMWJR-JFIYKMOQSA-N 2 2 364.490 0.842 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)C1=O ZINC001102513212 1220672529 /nfs/dbraw/zinc/67/25/29/1220672529.db2.gz AHDOOUCYZAKFNK-BFYDXBDKSA-N 2 2 361.490 0.656 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)C1=O ZINC001102513212 1220672532 /nfs/dbraw/zinc/67/25/32/1220672532.db2.gz AHDOOUCYZAKFNK-BFYDXBDKSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513479 1220672833 /nfs/dbraw/zinc/67/28/33/1220672833.db2.gz MHKHPIYZHOQCPA-KFWWJZLASA-N 2 2 357.462 0.426 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513479 1220672834 /nfs/dbraw/zinc/67/28/34/1220672834.db2.gz MHKHPIYZHOQCPA-KFWWJZLASA-N 2 2 357.462 0.426 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102532342 1220685198 /nfs/dbraw/zinc/68/51/98/1220685198.db2.gz HTNITPMVUNILCE-FRFSOERESA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102532342 1220685200 /nfs/dbraw/zinc/68/52/00/1220685200.db2.gz HTNITPMVUNILCE-FRFSOERESA-N 2 2 361.490 0.954 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538477 1220687739 /nfs/dbraw/zinc/68/77/39/1220687739.db2.gz CJVPBCFOTHMLJJ-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538477 1220687742 /nfs/dbraw/zinc/68/77/42/1220687742.db2.gz CJVPBCFOTHMLJJ-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538613 1220687972 /nfs/dbraw/zinc/68/79/72/1220687972.db2.gz KYPPYBZEZXRIGW-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538613 1220687974 /nfs/dbraw/zinc/68/79/74/1220687974.db2.gz KYPPYBZEZXRIGW-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579692 1220701630 /nfs/dbraw/zinc/70/16/30/1220701630.db2.gz KNARLCRAZKQGIE-HUUCEWRRSA-N 2 2 363.510 0.708 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579692 1220701632 /nfs/dbraw/zinc/70/16/32/1220701632.db2.gz KNARLCRAZKQGIE-HUUCEWRRSA-N 2 2 363.510 0.708 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001102580730 1220703383 /nfs/dbraw/zinc/70/33/83/1220703383.db2.gz JPAUNIMAHWGVBU-IXDOHACOSA-N 2 2 363.506 0.573 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001102580730 1220703389 /nfs/dbraw/zinc/70/33/89/1220703389.db2.gz JPAUNIMAHWGVBU-IXDOHACOSA-N 2 2 363.506 0.573 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102580117 1220703696 /nfs/dbraw/zinc/70/36/96/1220703696.db2.gz GYHNPSFIFMGLHR-UKRRQHHQSA-N 2 2 363.441 0.637 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102580117 1220703704 /nfs/dbraw/zinc/70/37/04/1220703704.db2.gz GYHNPSFIFMGLHR-UKRRQHHQSA-N 2 2 363.441 0.637 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102614323 1220733638 /nfs/dbraw/zinc/73/36/38/1220733638.db2.gz ZQNLCCTVBFNHOI-SJLPKXTDSA-N 2 2 369.469 0.884 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102614323 1220733647 /nfs/dbraw/zinc/73/36/47/1220733647.db2.gz ZQNLCCTVBFNHOI-SJLPKXTDSA-N 2 2 369.469 0.884 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819403 1220791695 /nfs/dbraw/zinc/79/16/95/1220791695.db2.gz SLIMRQOUUBIBNJ-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819403 1220791700 /nfs/dbraw/zinc/79/17/00/1220791700.db2.gz SLIMRQOUUBIBNJ-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819403 1220791709 /nfs/dbraw/zinc/79/17/09/1220791709.db2.gz SLIMRQOUUBIBNJ-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819403 1220791716 /nfs/dbraw/zinc/79/17/16/1220791716.db2.gz SLIMRQOUUBIBNJ-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)nn1 ZINC001102819637 1220791950 /nfs/dbraw/zinc/79/19/50/1220791950.db2.gz YCSSEBSXGLOJCT-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)nn1 ZINC001102819637 1220791954 /nfs/dbraw/zinc/79/19/54/1220791954.db2.gz YCSSEBSXGLOJCT-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001102819637 1220791956 /nfs/dbraw/zinc/79/19/56/1220791956.db2.gz YCSSEBSXGLOJCT-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001102819637 1220791959 /nfs/dbraw/zinc/79/19/59/1220791959.db2.gz YCSSEBSXGLOJCT-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060270 1220826490 /nfs/dbraw/zinc/82/64/90/1220826490.db2.gz DFXXRTVZBGAHJD-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060270 1220826494 /nfs/dbraw/zinc/82/64/94/1220826494.db2.gz DFXXRTVZBGAHJD-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060270 1220826495 /nfs/dbraw/zinc/82/64/95/1220826495.db2.gz DFXXRTVZBGAHJD-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060270 1220826496 /nfs/dbraw/zinc/82/64/96/1220826496.db2.gz DFXXRTVZBGAHJD-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103106986 1220834759 /nfs/dbraw/zinc/83/47/59/1220834759.db2.gz QAZOPZXXQVUXMJ-KLHDSHLOSA-N 2 2 374.489 0.613 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103106986 1220834763 /nfs/dbraw/zinc/83/47/63/1220834763.db2.gz QAZOPZXXQVUXMJ-KLHDSHLOSA-N 2 2 374.489 0.613 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001103106986 1220834764 /nfs/dbraw/zinc/83/47/64/1220834764.db2.gz QAZOPZXXQVUXMJ-KLHDSHLOSA-N 2 2 374.489 0.613 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001103106986 1220834765 /nfs/dbraw/zinc/83/47/65/1220834765.db2.gz QAZOPZXXQVUXMJ-KLHDSHLOSA-N 2 2 374.489 0.613 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162565 1220842310 /nfs/dbraw/zinc/84/23/10/1220842310.db2.gz BOISTGDSTWAPAO-OAGGEKHMSA-N 2 2 361.490 0.656 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162565 1220842311 /nfs/dbraw/zinc/84/23/11/1220842311.db2.gz BOISTGDSTWAPAO-OAGGEKHMSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001103162748 1220842459 /nfs/dbraw/zinc/84/24/59/1220842459.db2.gz IQOISNOJRXONTO-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001103162748 1220842462 /nfs/dbraw/zinc/84/24/62/1220842462.db2.gz IQOISNOJRXONTO-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232509 1220855163 /nfs/dbraw/zinc/85/51/63/1220855163.db2.gz RTTSNJJTKBNTFW-ZIAGYGMSSA-N 2 2 368.445 0.746 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232509 1220855165 /nfs/dbraw/zinc/85/51/65/1220855165.db2.gz RTTSNJJTKBNTFW-ZIAGYGMSSA-N 2 2 368.445 0.746 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001103271580 1220859228 /nfs/dbraw/zinc/85/92/28/1220859228.db2.gz VXGUSNKUCVVLJX-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001103271580 1220859230 /nfs/dbraw/zinc/85/92/30/1220859230.db2.gz VXGUSNKUCVVLJX-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001103271580 1220859234 /nfs/dbraw/zinc/85/92/34/1220859234.db2.gz VXGUSNKUCVVLJX-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001103271580 1220859236 /nfs/dbraw/zinc/85/92/36/1220859236.db2.gz VXGUSNKUCVVLJX-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103291643 1220860955 /nfs/dbraw/zinc/86/09/55/1220860955.db2.gz LZBXKJFZRHVQKD-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103291643 1220860958 /nfs/dbraw/zinc/86/09/58/1220860958.db2.gz LZBXKJFZRHVQKD-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290149 1220861357 /nfs/dbraw/zinc/86/13/57/1220861357.db2.gz AXXNULUKFYQCBN-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290149 1220861360 /nfs/dbraw/zinc/86/13/60/1220861360.db2.gz AXXNULUKFYQCBN-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)C(=O)Nc1ncccn1 ZINC001229301073 1225998165 /nfs/dbraw/zinc/99/81/65/1225998165.db2.gz KMANVIDMMAEANP-MGPQQGTHSA-N 2 2 371.445 0.786 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001103365036 1220871445 /nfs/dbraw/zinc/87/14/45/1220871445.db2.gz RDCOIHCVAIDYQE-BFYDXBDKSA-N 2 2 365.478 0.753 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001103365036 1220871448 /nfs/dbraw/zinc/87/14/48/1220871448.db2.gz RDCOIHCVAIDYQE-BFYDXBDKSA-N 2 2 365.478 0.753 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001103365036 1220871451 /nfs/dbraw/zinc/87/14/51/1220871451.db2.gz RDCOIHCVAIDYQE-BFYDXBDKSA-N 2 2 365.478 0.753 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001103365036 1220871454 /nfs/dbraw/zinc/87/14/54/1220871454.db2.gz RDCOIHCVAIDYQE-BFYDXBDKSA-N 2 2 365.478 0.753 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103395188 1220877355 /nfs/dbraw/zinc/87/73/55/1220877355.db2.gz YWFIOLFXYBDRBK-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103395188 1220877357 /nfs/dbraw/zinc/87/73/57/1220877357.db2.gz YWFIOLFXYBDRBK-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103395188 1220877358 /nfs/dbraw/zinc/87/73/58/1220877358.db2.gz YWFIOLFXYBDRBK-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP 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C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1C ZINC001103724767 1220954981 /nfs/dbraw/zinc/95/49/81/1220954981.db2.gz RZELUBKAWAIIEO-OWCLPIDISA-N 2 2 365.478 0.612 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1C ZINC001103724767 1220954985 /nfs/dbraw/zinc/95/49/85/1220954985.db2.gz RZELUBKAWAIIEO-OWCLPIDISA-N 2 2 365.478 0.612 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001103740718 1220958683 /nfs/dbraw/zinc/95/86/83/1220958683.db2.gz RUIYTPXEZZSUFZ-INMHGKMJSA-N 2 2 364.494 0.110 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001103740718 1220958685 /nfs/dbraw/zinc/95/86/85/1220958685.db2.gz RUIYTPXEZZSUFZ-INMHGKMJSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001103740718 1220958688 /nfs/dbraw/zinc/95/86/88/1220958688.db2.gz RUIYTPXEZZSUFZ-INMHGKMJSA-N 2 2 364.494 0.110 20 0 FCADLP 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ZINC001112386684 1221250876 /nfs/dbraw/zinc/25/08/76/1221250876.db2.gz HKGCBWXKCHMAAZ-YJBOKZPZSA-N 2 2 357.462 0.852 20 0 FCADLP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580666 1221314771 /nfs/dbraw/zinc/31/47/71/1221314771.db2.gz HENIDSXGNXIVMQ-VXGBXAGGSA-N 2 2 362.434 0.117 20 0 FCADLP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580666 1221314773 /nfs/dbraw/zinc/31/47/73/1221314773.db2.gz HENIDSXGNXIVMQ-VXGBXAGGSA-N 2 2 362.434 0.117 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001116041935 1221331538 /nfs/dbraw/zinc/33/15/38/1221331538.db2.gz BYUXJRSZSITLBB-SFHVURJKSA-N 2 2 373.501 0.669 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001116041935 1221331542 /nfs/dbraw/zinc/33/15/42/1221331542.db2.gz BYUXJRSZSITLBB-SFHVURJKSA-N 2 2 373.501 0.669 20 0 FCADLP C[C@@H](CCN1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCN(CC(C)(C)O)CC1 ZINC001116326290 1221353575 /nfs/dbraw/zinc/35/35/75/1221353575.db2.gz PRIURZXKOANPLR-SFHVURJKSA-N 2 2 370.582 0.542 20 0 FCADLP C[C@@H](CC[NH+]1CCN(CC(C)(C)O)CC1)N1CC[NH+](CC(C)(C)O)CC1 ZINC001116326290 1221353579 /nfs/dbraw/zinc/35/35/79/1221353579.db2.gz PRIURZXKOANPLR-SFHVURJKSA-N 2 2 370.582 0.542 20 0 FCADLP C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)n1cc[nH+]c1 ZINC001116369261 1221357189 /nfs/dbraw/zinc/35/71/89/1221357189.db2.gz HEHDGLWOKIRWGF-WBVHZDCISA-N 2 2 357.458 0.849 20 0 FCADLP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001116662943 1221377734 /nfs/dbraw/zinc/37/77/34/1221377734.db2.gz SSDPGDQYWWMZFX-RTBURBONSA-N 2 2 371.522 0.193 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001117326094 1221519745 /nfs/dbraw/zinc/51/97/45/1221519745.db2.gz OOZULPBXTXDPGH-JYJNAYRXSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001117326094 1221519750 /nfs/dbraw/zinc/51/97/50/1221519750.db2.gz OOZULPBXTXDPGH-JYJNAYRXSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001230149250 1226057690 /nfs/dbraw/zinc/05/76/90/1226057690.db2.gz BDTOZKYZPYQPHC-USXIJHARSA-N 2 2 364.494 0.300 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1 ZINC001117942021 1221661656 /nfs/dbraw/zinc/66/16/56/1221661656.db2.gz PPLKHQYVNKLBLO-UHFFFAOYSA-N 2 2 373.457 0.995 20 0 FCADLP [NH3+]Cc1nc(CN2C(=O)N[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)no1 ZINC001118135137 1221717408 /nfs/dbraw/zinc/71/74/08/1221717408.db2.gz JIAKNNQTCHWNTB-QGZVFWFLSA-N 2 2 356.386 0.225 20 0 FCADLP [NH3+]Cc1nc(CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)no1 ZINC001118135137 1221717417 /nfs/dbraw/zinc/71/74/17/1221717417.db2.gz JIAKNNQTCHWNTB-QGZVFWFLSA-N 2 2 356.386 0.225 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001118289178 1221752100 /nfs/dbraw/zinc/75/21/00/1221752100.db2.gz VPLUJBGIFZDEIM-DZGCQCFKSA-N 2 2 360.466 0.751 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001118289178 1221752105 /nfs/dbraw/zinc/75/21/05/1221752105.db2.gz VPLUJBGIFZDEIM-DZGCQCFKSA-N 2 2 360.466 0.751 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001118304820 1221754451 /nfs/dbraw/zinc/75/44/51/1221754451.db2.gz BAIVLFMRLOJWKC-UHFFFAOYSA-N 2 2 353.386 0.909 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1)c1nnnn1C ZINC001230344222 1226075174 /nfs/dbraw/zinc/07/51/74/1226075174.db2.gz JMBBTWFKPPCRPF-RRFJBIMHSA-N 2 2 360.466 0.965 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001230344320 1226076032 /nfs/dbraw/zinc/07/60/32/1226076032.db2.gz PFOKSPOCPUZMMS-HZPDHXFCSA-N 2 2 362.478 0.706 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[C@H]1C(F)(F)F ZINC001118867277 1221837336 /nfs/dbraw/zinc/83/73/36/1221837336.db2.gz JQAFBVFMWSKGPV-GRYCIOLGSA-N 2 2 373.379 0.300 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[C@H]1C(F)(F)F ZINC001118867278 1221837525 /nfs/dbraw/zinc/83/75/25/1221837525.db2.gz JQAFBVFMWSKGPV-IJLUTSLNSA-N 2 2 373.379 0.300 20 0 FCADLP C[C@H]1Cn2nc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)cc2C[NH2+]1 ZINC001122009978 1222233267 /nfs/dbraw/zinc/23/32/67/1222233267.db2.gz YOTDUKOCKJDNQQ-AWEZNQCLSA-N 2 2 369.473 0.452 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001122121733 1222242643 /nfs/dbraw/zinc/24/26/43/1222242643.db2.gz TUPVWBLQARBVOF-AEFFLSMTSA-N 2 2 354.454 0.872 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC001123733027 1222353969 /nfs/dbraw/zinc/35/39/69/1222353969.db2.gz DYSMDHNWMHIPAK-ZWKOTPCHSA-N 2 2 368.570 0.194 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231768196 1226123963 /nfs/dbraw/zinc/12/39/63/1226123963.db2.gz PSCSJMLNATUANY-GASCZTMLSA-N 2 2 355.442 0.043 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231768196 1226123966 /nfs/dbraw/zinc/12/39/66/1226123966.db2.gz PSCSJMLNATUANY-GASCZTMLSA-N 2 2 355.442 0.043 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231768196 1226123973 /nfs/dbraw/zinc/12/39/73/1226123973.db2.gz PSCSJMLNATUANY-GASCZTMLSA-N 2 2 355.442 0.043 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231768196 1226123977 /nfs/dbraw/zinc/12/39/77/1226123977.db2.gz PSCSJMLNATUANY-GASCZTMLSA-N 2 2 355.442 0.043 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140691725 1222606008 /nfs/dbraw/zinc/60/60/08/1222606008.db2.gz RPHRUWPVLTZSPB-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140691725 1222606011 /nfs/dbraw/zinc/60/60/11/1222606011.db2.gz RPHRUWPVLTZSPB-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140691725 1222606013 /nfs/dbraw/zinc/60/60/13/1222606013.db2.gz RPHRUWPVLTZSPB-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140691725 1222606015 /nfs/dbraw/zinc/60/60/15/1222606015.db2.gz RPHRUWPVLTZSPB-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@](O)(C(F)(F)F)C[C@H]3CO)cn2)CC1 ZINC001232360377 1226147585 /nfs/dbraw/zinc/14/75/85/1226147585.db2.gz GRHFJTJXEIHHHW-HOCLYGCPSA-N 2 2 374.407 0.693 20 0 FCADLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@](O)(C(F)(F)F)C[C@H]3CO)cn2)CC1 ZINC001232360377 1226147590 /nfs/dbraw/zinc/14/75/90/1226147590.db2.gz GRHFJTJXEIHHHW-HOCLYGCPSA-N 2 2 374.407 0.693 20 0 FCADLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4[nH]c(=O)[nH]c(=O)c4C3)cn2)CC1 ZINC001232365340 1226148959 /nfs/dbraw/zinc/14/89/59/1226148959.db2.gz GIUGGVMKEWNEBR-UHFFFAOYSA-N 2 2 356.430 0.593 20 0 FCADLP COC(=O)c1cnc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cn1 ZINC001141825488 1222779802 /nfs/dbraw/zinc/77/98/02/1222779802.db2.gz RQYUNYYXPQUFHQ-CVEARBPZSA-N 2 2 370.457 0.951 20 0 FCADLP COC(=O)c1cnc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cn1 ZINC001141825488 1222779806 /nfs/dbraw/zinc/77/98/06/1222779806.db2.gz RQYUNYYXPQUFHQ-CVEARBPZSA-N 2 2 370.457 0.951 20 0 FCADLP COC(=O)c1cnc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cn1 ZINC001141825488 1222779811 /nfs/dbraw/zinc/77/98/11/1222779811.db2.gz RQYUNYYXPQUFHQ-CVEARBPZSA-N 2 2 370.457 0.951 20 0 FCADLP COC(=O)c1cnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cn1 ZINC001141825488 1222779814 /nfs/dbraw/zinc/77/98/14/1222779814.db2.gz RQYUNYYXPQUFHQ-CVEARBPZSA-N 2 2 370.457 0.951 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000842057212 1222834046 /nfs/dbraw/zinc/83/40/46/1222834046.db2.gz HHCSPMRAMYQGMU-UHFFFAOYSA-N 2 2 355.442 0.947 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843207142 1222860531 /nfs/dbraw/zinc/86/05/31/1222860531.db2.gz VVACPYNRMBLDCJ-AWEZNQCLSA-N 2 2 372.429 0.050 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC3CC3)CCCO2)CC[N@@H+]1C ZINC001149734083 1222888545 /nfs/dbraw/zinc/88/85/45/1222888545.db2.gz SKZAGFGJTABLPV-HYVNUMGLSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CC(=O)NCC3CC3)CCCO2)CC[N@H+]1C ZINC001149734083 1222888549 /nfs/dbraw/zinc/88/85/49/1222888549.db2.gz SKZAGFGJTABLPV-HYVNUMGLSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CC(=O)NCC3CC3)CCCO2)CC[NH+]1C ZINC001149734083 1222888550 /nfs/dbraw/zinc/88/85/50/1222888550.db2.gz SKZAGFGJTABLPV-HYVNUMGLSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC3CC3)CCCO2)CC[NH+]1C ZINC001149734083 1222888553 /nfs/dbraw/zinc/88/85/53/1222888553.db2.gz SKZAGFGJTABLPV-HYVNUMGLSA-N 2 2 366.506 0.060 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH+](C[C@H](C)O)CC1 ZINC001151312320 1222921712 /nfs/dbraw/zinc/92/17/12/1222921712.db2.gz NGCGZMKKOCEZHX-ARFHVFGLSA-N 2 2 364.490 0.892 20 0 FCADLP CC[N@H+](Cc1cc2n(n1)CCC2)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998267 1222998060 /nfs/dbraw/zinc/99/80/60/1222998060.db2.gz LOOHAYWKSJFUDU-IIDMSEBBSA-N 2 2 363.506 0.875 20 0 FCADLP CC[N@@H+](Cc1cc2n(n1)CCC2)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998267 1222998068 /nfs/dbraw/zinc/99/80/68/1222998068.db2.gz LOOHAYWKSJFUDU-IIDMSEBBSA-N 2 2 363.506 0.875 20 0 FCADLP CC[NH+](Cc1cc2n(n1)CCC2)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998267 1222998075 /nfs/dbraw/zinc/99/80/75/1222998075.db2.gz LOOHAYWKSJFUDU-IIDMSEBBSA-N 2 2 363.506 0.875 20 0 FCADLP CC(C)N(CCC[NH3+])c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001156118664 1223049646 /nfs/dbraw/zinc/04/96/46/1223049646.db2.gz QUWILKHAJHVWGK-UHFFFAOYSA-N 2 2 365.482 0.108 20 0 FCADLP CC(C)N(CCC[NH3+])c1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001156118664 1223049649 /nfs/dbraw/zinc/04/96/49/1223049649.db2.gz QUWILKHAJHVWGK-UHFFFAOYSA-N 2 2 365.482 0.108 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081927 1223067547 /nfs/dbraw/zinc/06/75/47/1223067547.db2.gz FXQFKAZVZSINDU-XUWXXGDYSA-N 2 2 364.446 0.549 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081927 1223067553 /nfs/dbraw/zinc/06/75/53/1223067553.db2.gz FXQFKAZVZSINDU-XUWXXGDYSA-N 2 2 364.446 0.549 20 0 FCADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610046 1223079287 /nfs/dbraw/zinc/07/92/87/1223079287.db2.gz MUVMBPIEMZHZDR-ZGRWHYIRSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(=O)N(C)C ZINC001158257157 1223092283 /nfs/dbraw/zinc/09/22/83/1223092283.db2.gz RUUUUWLVOKXEPZ-BZUAXINKSA-N 2 2 361.490 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)CCOCCO ZINC001158491401 1223099809 /nfs/dbraw/zinc/09/98/09/1223099809.db2.gz RAKIEFVVIVDLPS-BRWVUGGUSA-N 2 2 364.490 0.845 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCOCCO ZINC001158491401 1223099813 /nfs/dbraw/zinc/09/98/13/1223099813.db2.gz RAKIEFVVIVDLPS-BRWVUGGUSA-N 2 2 364.490 0.845 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)s1 ZINC001158658085 1223104182 /nfs/dbraw/zinc/10/41/82/1223104182.db2.gz IHAZNTUOFNQKMT-UHFFFAOYSA-N 2 2 371.426 0.873 20 0 FCADLP [NH3+]C1(C(=O)N2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)CC[NH2+]CC1 ZINC001158681934 1223104857 /nfs/dbraw/zinc/10/48/57/1223104857.db2.gz QHWGLYGJFSBFOF-GVDBMIGSSA-N 2 2 360.458 0.438 20 0 FCADLP Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H]([NH3+])Cc4c[nH+]cn4C)C[C@H]3O2)n1 ZINC001158695125 1223105416 /nfs/dbraw/zinc/10/54/16/1223105416.db2.gz YPYJGKZHIGMWBS-CYUUQNCZSA-N 2 2 360.418 0.360 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)CC2 ZINC001158697579 1223105726 /nfs/dbraw/zinc/10/57/26/1223105726.db2.gz DDUJOAOFQPKNJR-INIZCTEOSA-N 2 2 373.505 0.714 20 0 FCADLP CCOC[C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)Cc2nn(CC3CC3)cc21 ZINC001158800850 1223109978 /nfs/dbraw/zinc/10/99/78/1223109978.db2.gz XNJTWLFLFDGXKA-OAHLLOKOSA-N 2 2 361.490 0.836 20 0 FCADLP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H]2C[C@H]4C[NH2+]C[C@H]4[NH2+]2)CC3)cn1 ZINC001158981628 1223114897 /nfs/dbraw/zinc/11/48/97/1223114897.db2.gz CMIQBZKFVNKWCG-HDEZJCGLSA-N 2 2 359.474 0.235 20 0 FCADLP CC(C)OCc1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001159006478 1223115151 /nfs/dbraw/zinc/11/51/51/1223115151.db2.gz UUIKSSFNHWVGLL-HOCLYGCPSA-N 2 2 361.490 0.792 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2Cc3cncn3C[C@H](COc3cccnc3)C2)C1 ZINC001159282813 1223122654 /nfs/dbraw/zinc/12/26/54/1223122654.db2.gz JFBRKZSQLLAOIK-KEYYUXOJSA-N 2 2 356.430 0.005 20 0 FCADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159282759 1223122675 /nfs/dbraw/zinc/12/26/75/1223122675.db2.gz IBYBCKZNXPFATO-FRFSOERESA-N 2 2 357.414 0.038 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2Cc3cncn3C[C@@H](COc3cccnc3)C2)C1 ZINC001159282814 1223122733 /nfs/dbraw/zinc/12/27/33/1223122733.db2.gz JFBRKZSQLLAOIK-ZQIUZPCESA-N 2 2 356.430 0.005 20 0 FCADLP CO[C@@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316772 1223124128 /nfs/dbraw/zinc/12/41/28/1223124128.db2.gz MISPAVXKAVCNAY-RCCFBDPRSA-N 3 2 373.501 0.210 20 0 FCADLP CO[C@@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316772 1223124131 /nfs/dbraw/zinc/12/41/31/1223124131.db2.gz MISPAVXKAVCNAY-RCCFBDPRSA-N 3 2 373.501 0.210 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159340905 1223125104 /nfs/dbraw/zinc/12/51/04/1223125104.db2.gz YRGLNKGKPRGYKD-YDHLFZDLSA-N 2 2 364.421 0.296 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159548523 1223129083 /nfs/dbraw/zinc/12/90/83/1223129083.db2.gz BIBWRVUWFBZJLZ-UHFFFAOYSA-N 3 2 360.506 0.599 20 0 FCADLP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159548408 1223129162 /nfs/dbraw/zinc/12/91/62/1223129162.db2.gz ADBTZUIPKAZSKM-KUHUBIRLSA-N 3 2 358.490 0.209 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)[C@@H]2C ZINC001159633790 1223131758 /nfs/dbraw/zinc/13/17/58/1223131758.db2.gz RCRXTILQFWDYRN-ZIGSKRJUSA-N 3 2 360.506 0.848 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)[C@@H]2C ZINC001159633790 1223131760 /nfs/dbraw/zinc/13/17/60/1223131760.db2.gz RCRXTILQFWDYRN-ZIGSKRJUSA-N 3 2 360.506 0.848 20 0 FCADLP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159635378 1223131817 /nfs/dbraw/zinc/13/18/17/1223131817.db2.gz MLTHFSLGPZKVJO-ZFWWWQNUSA-N 2 2 374.420 0.311 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001159636097 1223131904 /nfs/dbraw/zinc/13/19/04/1223131904.db2.gz RYLRWIUQWQTZPS-ZBFHGGJFSA-N 2 2 370.457 0.609 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@H]2C ZINC001159632942 1223131929 /nfs/dbraw/zinc/13/19/29/1223131929.db2.gz DDAFXFVVAITRMH-YOEHRIQHSA-N 3 2 373.505 0.930 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@H]2C ZINC001159632942 1223131931 /nfs/dbraw/zinc/13/19/31/1223131931.db2.gz DDAFXFVVAITRMH-YOEHRIQHSA-N 3 2 373.505 0.930 20 0 FCADLP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159696004 1223134106 /nfs/dbraw/zinc/13/41/06/1223134106.db2.gz HLRRLEMCKGRILF-MUKKUYKPSA-N 2 2 359.474 0.664 20 0 FCADLP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159696000 1223134147 /nfs/dbraw/zinc/13/41/47/1223134147.db2.gz HLRRLEMCKGRILF-FRIZHTMISA-N 2 2 359.474 0.664 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905745 1223139561 /nfs/dbraw/zinc/13/95/61/1223139561.db2.gz QSQPBNLATATESJ-BJZZIADLSA-N 2 2 358.442 0.170 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]12 ZINC001159989891 1223141973 /nfs/dbraw/zinc/14/19/73/1223141973.db2.gz DUSBFQTVIIKJRN-AJYBTWMASA-N 2 2 356.470 0.467 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@H]12 ZINC001159989895 1223141987 /nfs/dbraw/zinc/14/19/87/1223141987.db2.gz DUSBFQTVIIKJRN-JPLJXNOCSA-N 2 2 356.470 0.467 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]12 ZINC001159990863 1223141996 /nfs/dbraw/zinc/14/19/96/1223141996.db2.gz IQMTWQHAFOCFCP-GNBUJSLZSA-N 2 2 356.470 0.324 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]12 ZINC001159989898 1223142049 /nfs/dbraw/zinc/14/20/49/1223142049.db2.gz DUSBFQTVIIKJRN-RMJJICAUSA-N 2 2 356.470 0.467 20 0 FCADLP Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001160031886 1223142726 /nfs/dbraw/zinc/14/27/26/1223142726.db2.gz LQYKPMQSWWBZRH-WCVJEAGWSA-N 2 2 351.454 0.874 20 0 FCADLP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)CCO2 ZINC001160192307 1223148989 /nfs/dbraw/zinc/14/89/89/1223148989.db2.gz UUXVLCRSLDCIEU-IEBWSBKVSA-N 2 2 360.458 0.499 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)C1 ZINC001160231624 1223150766 /nfs/dbraw/zinc/15/07/66/1223150766.db2.gz SIZGIPFQCRDFEH-XEZPLFJOSA-N 2 2 366.416 0.230 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)C1 ZINC001160312198 1223154404 /nfs/dbraw/zinc/15/44/04/1223154404.db2.gz RQRYONYSBBKBFZ-UHYGZKCKSA-N 2 2 372.425 0.060 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001160326213 1223154845 /nfs/dbraw/zinc/15/48/45/1223154845.db2.gz PHTWUHWGZQREQD-CABCVRRESA-N 2 2 373.461 0.516 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NCc1cccnc1 ZINC001160325655 1223155118 /nfs/dbraw/zinc/15/51/18/1223155118.db2.gz CIDZODHSTKWVNT-HUUCEWRRSA-N 2 2 356.430 0.321 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NCc1cccnc1 ZINC001160325655 1223155119 /nfs/dbraw/zinc/15/51/19/1223155119.db2.gz CIDZODHSTKWVNT-HUUCEWRRSA-N 2 2 356.430 0.321 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H](O)COCc1ccco1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336780 1223156050 /nfs/dbraw/zinc/15/60/50/1223156050.db2.gz MAJGTSHHXFRQQD-FVQBIDKESA-N 2 2 362.430 0.780 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H](O)COCc1ccco1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336780 1223156052 /nfs/dbraw/zinc/15/60/52/1223156052.db2.gz MAJGTSHHXFRQQD-FVQBIDKESA-N 2 2 362.430 0.780 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)on1 ZINC001160336656 1223156142 /nfs/dbraw/zinc/15/61/42/1223156142.db2.gz HZNRZYLHRGWPIF-JHJVBQTASA-N 2 2 360.418 0.933 20 0 FCADLP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482784 1223162588 /nfs/dbraw/zinc/16/25/88/1223162588.db2.gz MJCWLXXMDHTKQS-UYAOXDASSA-N 2 2 371.529 0.842 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC001160555725 1223164805 /nfs/dbraw/zinc/16/48/05/1223164805.db2.gz FFAREZHYJQKAJU-AEGPPILISA-N 2 2 356.426 0.708 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001160690606 1223168479 /nfs/dbraw/zinc/16/84/79/1223168479.db2.gz FLMYTBYTEFUBHY-AWEZNQCLSA-N 2 2 359.434 0.158 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160692844 1223168942 /nfs/dbraw/zinc/16/89/42/1223168942.db2.gz FPXCOTVQJVEIIB-HOTGVXAUSA-N 2 2 355.442 0.802 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001160699821 1223169381 /nfs/dbraw/zinc/16/93/81/1223169381.db2.gz IZOBFLDDTXBTAV-AWEZNQCLSA-N 2 2 359.434 0.158 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726464 1223170230 /nfs/dbraw/zinc/17/02/30/1223170230.db2.gz NUHKGQFOGLYUAU-KRWDZBQOSA-N 2 2 355.442 0.733 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001160905516 1223180130 /nfs/dbraw/zinc/18/01/30/1223180130.db2.gz OJJGQBXCJWNBML-IRXDYDNUSA-N 2 2 363.458 0.799 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)CC1)c1ccccc1 ZINC001160905802 1223180447 /nfs/dbraw/zinc/18/04/47/1223180447.db2.gz VAKHIEUPSBIGLF-RBUKOAKNSA-N 2 2 371.485 0.822 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1)c1ccccc1 ZINC001160906833 1223180651 /nfs/dbraw/zinc/18/06/51/1223180651.db2.gz PVAPQCRBYNYELK-ROUUACIJSA-N 2 2 374.485 0.468 20 0 FCADLP CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1)C1C[NH+](C)C1 ZINC001161137847 1223186355 /nfs/dbraw/zinc/18/63/55/1223186355.db2.gz ICSLFXUCCCVHAZ-ROUUACIJSA-N 2 2 358.486 0.628 20 0 FCADLP CCOC(=O)c1c[nH]c2nc[nH+]c(NC3CC[NH+](CC(=O)NC)CC3)c12 ZINC001161135979 1223186614 /nfs/dbraw/zinc/18/66/14/1223186614.db2.gz QTGKSTXORGNOFF-UHFFFAOYSA-N 2 2 360.418 0.757 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C2(Cc3ccccc3F)CC[NH2+]CC2)C1 ZINC001161139657 1223187053 /nfs/dbraw/zinc/18/70/53/1223187053.db2.gz ZSLDVYJSDHWKLQ-LJQANCHMSA-N 2 2 363.433 0.841 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001161252701 1223192027 /nfs/dbraw/zinc/19/20/27/1223192027.db2.gz CUPBKPWSBJVKND-OAGGEKHMSA-N 2 2 357.458 0.551 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001161252701 1223192028 /nfs/dbraw/zinc/19/20/28/1223192028.db2.gz CUPBKPWSBJVKND-OAGGEKHMSA-N 2 2 357.458 0.551 20 0 FCADLP O=C(NC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1)c1cccc(F)c1 ZINC001161252767 1223192049 /nfs/dbraw/zinc/19/20/49/1223192049.db2.gz NOEZXDVNHUVMLW-IFXJQAMLSA-N 2 2 360.433 0.498 20 0 FCADLP COc1cc(N2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CC2)cc[nH+]1 ZINC001161306222 1223195224 /nfs/dbraw/zinc/19/52/24/1223195224.db2.gz HPLVXWCGMQPREU-HNNXBMFYSA-N 2 2 361.446 0.079 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001161457233 1223199673 /nfs/dbraw/zinc/19/96/73/1223199673.db2.gz QISQUYSCUHNWBT-JCGIZDLHSA-N 2 2 354.454 0.414 20 0 FCADLP O=C(NCCC[NH2+]CC[C@H]1CCOC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995870 1223223550 /nfs/dbraw/zinc/22/35/50/1223223550.db2.gz HOJDASCODFANSQ-KSZLIROESA-N 2 2 369.506 0.389 20 0 FCADLP CN1CCN(c2cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1=O ZINC001163278835 1223228438 /nfs/dbraw/zinc/22/84/38/1223228438.db2.gz KONVREVUEATVLX-KSSFIOAISA-N 2 2 360.462 0.326 20 0 FCADLP CN1CCN(c2cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1=O ZINC001163278835 1223228443 /nfs/dbraw/zinc/22/84/43/1223228443.db2.gz KONVREVUEATVLX-KSSFIOAISA-N 2 2 360.462 0.326 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001164565951 1223239782 /nfs/dbraw/zinc/23/97/82/1223239782.db2.gz HMZWSVPZBDMKKX-HUUCEWRRSA-N 2 2 359.474 0.515 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1cc(N)cc[nH+]1)CC2 ZINC001166490181 1223279986 /nfs/dbraw/zinc/27/99/86/1223279986.db2.gz PCFBPXODHGZSNO-UHFFFAOYSA-N 2 2 366.429 0.587 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001166969469 1223290370 /nfs/dbraw/zinc/29/03/70/1223290370.db2.gz WBWSVTCHUYILGO-OAGGEKHMSA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001166969673 1223290467 /nfs/dbraw/zinc/29/04/67/1223290467.db2.gz ZPZYSGQPXJEZLT-HZPDHXFCSA-N 2 2 371.441 0.964 20 0 FCADLP CC1CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001166962098 1223290680 /nfs/dbraw/zinc/29/06/80/1223290680.db2.gz YIJYFBLQWHREHN-HZPDHXFCSA-N 2 2 361.490 0.878 20 0 FCADLP COC(=O)C1(Nc2ccc(OCC[NH+]3CCOCC3)nc2)CC[NH2+]CC1 ZINC001166980213 1223290859 /nfs/dbraw/zinc/29/08/59/1223290859.db2.gz CIDYUIDSJSDZEC-UHFFFAOYSA-N 2 2 364.446 0.500 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccncc1)CC2 ZINC001204082650 1223300207 /nfs/dbraw/zinc/30/02/07/1223300207.db2.gz IJXXOCSAVKLQEX-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1ccncc1)CC2 ZINC001204082650 1223300210 /nfs/dbraw/zinc/30/02/10/1223300210.db2.gz IJXXOCSAVKLQEX-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001205194990 1223315412 /nfs/dbraw/zinc/31/54/12/1223315412.db2.gz GTXYCCXYTLHCMS-ZTFGCOKTSA-N 2 2 358.442 0.407 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001205194990 1223315414 /nfs/dbraw/zinc/31/54/14/1223315414.db2.gz GTXYCCXYTLHCMS-ZTFGCOKTSA-N 2 2 358.442 0.407 20 0 FCADLP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001205196251 1223316165 /nfs/dbraw/zinc/31/61/65/1223316165.db2.gz XBXDZVHPBVQTEM-QZTJIDSGSA-N 2 2 358.442 0.673 20 0 FCADLP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001205196251 1223316167 /nfs/dbraw/zinc/31/61/67/1223316167.db2.gz XBXDZVHPBVQTEM-QZTJIDSGSA-N 2 2 358.442 0.673 20 0 FCADLP Cn1cnc(C[N@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001206230022 1223351035 /nfs/dbraw/zinc/35/10/35/1223351035.db2.gz AQRISYJQFJXMGZ-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1cnc(C[N@@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001206230022 1223351037 /nfs/dbraw/zinc/35/10/37/1223351037.db2.gz AQRISYJQFJXMGZ-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccnn1C)CC2 ZINC001206342112 1223356527 /nfs/dbraw/zinc/35/65/27/1223356527.db2.gz BDINSKWKSAUFOG-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1ccnn1C)CC2 ZINC001206342112 1223356529 /nfs/dbraw/zinc/35/65/29/1223356529.db2.gz BDINSKWKSAUFOG-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955309 1223394286 /nfs/dbraw/zinc/39/42/86/1223394286.db2.gz QCGJEIZAHCENJP-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955309 1223394290 /nfs/dbraw/zinc/39/42/90/1223394290.db2.gz QCGJEIZAHCENJP-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955309 1223394295 /nfs/dbraw/zinc/39/42/95/1223394295.db2.gz QCGJEIZAHCENJP-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955309 1223394299 /nfs/dbraw/zinc/39/42/99/1223394299.db2.gz QCGJEIZAHCENJP-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001207015159 1223405544 /nfs/dbraw/zinc/40/55/44/1223405544.db2.gz URYCUIZFKWSGDO-XYPHTWIQSA-N 2 2 365.478 0.235 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001207015159 1223405550 /nfs/dbraw/zinc/40/55/50/1223405550.db2.gz URYCUIZFKWSGDO-XYPHTWIQSA-N 2 2 365.478 0.235 20 0 FCADLP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001207015159 1223405554 /nfs/dbraw/zinc/40/55/54/1223405554.db2.gz URYCUIZFKWSGDO-XYPHTWIQSA-N 2 2 365.478 0.235 20 0 FCADLP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001207015159 1223405557 /nfs/dbraw/zinc/40/55/57/1223405557.db2.gz URYCUIZFKWSGDO-XYPHTWIQSA-N 2 2 365.478 0.235 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686407 1223470704 /nfs/dbraw/zinc/47/07/04/1223470704.db2.gz ADWNPLZFHAURSD-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686407 1223470707 /nfs/dbraw/zinc/47/07/07/1223470707.db2.gz ADWNPLZFHAURSD-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001207686407 1223470710 /nfs/dbraw/zinc/47/07/10/1223470710.db2.gz ADWNPLZFHAURSD-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001207686407 1223470713 /nfs/dbraw/zinc/47/07/13/1223470713.db2.gz ADWNPLZFHAURSD-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686491 1223471265 /nfs/dbraw/zinc/47/12/65/1223471265.db2.gz CWCLWRCOGPDSBO-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686491 1223471266 /nfs/dbraw/zinc/47/12/66/1223471266.db2.gz CWCLWRCOGPDSBO-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207686491 1223471267 /nfs/dbraw/zinc/47/12/67/1223471267.db2.gz CWCLWRCOGPDSBO-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207686491 1223471269 /nfs/dbraw/zinc/47/12/69/1223471269.db2.gz CWCLWRCOGPDSBO-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733962 1223474175 /nfs/dbraw/zinc/47/41/75/1223474175.db2.gz KVWZYAJSISYECL-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733962 1223474177 /nfs/dbraw/zinc/47/41/77/1223474177.db2.gz KVWZYAJSISYECL-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@H+](CC1(C)COC1)C2 ZINC001207793880 1223480430 /nfs/dbraw/zinc/48/04/30/1223480430.db2.gz AZJHKLOAUNBURW-INIZCTEOSA-N 2 2 364.490 0.705 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@@H+](CC1(C)COC1)C2 ZINC001207793880 1223480434 /nfs/dbraw/zinc/48/04/34/1223480434.db2.gz AZJHKLOAUNBURW-INIZCTEOSA-N 2 2 364.490 0.705 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057154 1223510901 /nfs/dbraw/zinc/51/09/01/1223510901.db2.gz HQDSZAYEXLMAHV-IXDOHACOSA-N 2 2 366.506 0.823 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057154 1223510906 /nfs/dbraw/zinc/51/09/06/1223510906.db2.gz HQDSZAYEXLMAHV-IXDOHACOSA-N 2 2 366.506 0.823 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281284 1223530211 /nfs/dbraw/zinc/53/02/11/1223530211.db2.gz AVNNLUPPFBKWGL-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281284 1223530215 /nfs/dbraw/zinc/53/02/15/1223530215.db2.gz AVNNLUPPFBKWGL-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405351 1223539539 /nfs/dbraw/zinc/53/95/39/1223539539.db2.gz SPCIJKVWQJTJEQ-ZACQAIPSSA-N 2 2 368.522 0.304 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405351 1223539543 /nfs/dbraw/zinc/53/95/43/1223539543.db2.gz SPCIJKVWQJTJEQ-ZACQAIPSSA-N 2 2 368.522 0.304 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405351 1223539552 /nfs/dbraw/zinc/53/95/52/1223539552.db2.gz SPCIJKVWQJTJEQ-ZACQAIPSSA-N 2 2 368.522 0.304 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405351 1223539557 /nfs/dbraw/zinc/53/95/57/1223539557.db2.gz SPCIJKVWQJTJEQ-ZACQAIPSSA-N 2 2 368.522 0.304 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001208482557 1223549764 /nfs/dbraw/zinc/54/97/64/1223549764.db2.gz IKQBNPZBUQCWRA-XOKHGSTOSA-N 2 2 365.478 0.318 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001208482557 1223549768 /nfs/dbraw/zinc/54/97/68/1223549768.db2.gz IKQBNPZBUQCWRA-XOKHGSTOSA-N 2 2 365.478 0.318 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC001208482557 1223549771 /nfs/dbraw/zinc/54/97/71/1223549771.db2.gz IKQBNPZBUQCWRA-XOKHGSTOSA-N 2 2 365.478 0.318 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1C ZINC001208482557 1223549775 /nfs/dbraw/zinc/54/97/75/1223549775.db2.gz IKQBNPZBUQCWRA-XOKHGSTOSA-N 2 2 365.478 0.318 20 0 FCADLP CCN(CC)C(=O)CN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609159 1223591937 /nfs/dbraw/zinc/59/19/37/1223591937.db2.gz HNXWHXGGOJDPEB-IBGZPJMESA-N 2 2 366.506 0.648 20 0 FCADLP CCN(CC)C(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609159 1223591939 /nfs/dbraw/zinc/59/19/39/1223591939.db2.gz HNXWHXGGOJDPEB-IBGZPJMESA-N 2 2 366.506 0.648 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609319 1223593203 /nfs/dbraw/zinc/59/32/03/1223593203.db2.gz IZXOYRLCGSSIRY-KXBFYZLASA-N 2 2 367.490 0.931 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609319 1223593204 /nfs/dbraw/zinc/59/32/04/1223593204.db2.gz IZXOYRLCGSSIRY-KXBFYZLASA-N 2 2 367.490 0.931 20 0 FCADLP C[NH+]1CCN(C2C[NH+](CC[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 ZINC001209074781 1223596756 /nfs/dbraw/zinc/59/67/56/1223596756.db2.gz RDWBYUORFVAEMS-QGZVFWFLSA-N 2 2 368.522 0.944 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327160 1223611046 /nfs/dbraw/zinc/61/10/46/1223611046.db2.gz DJOFNOSQXMHLCU-JJRVBVJISA-N 2 2 357.458 0.924 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327160 1223611048 /nfs/dbraw/zinc/61/10/48/1223611048.db2.gz DJOFNOSQXMHLCU-JJRVBVJISA-N 2 2 357.458 0.924 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327160 1223611054 /nfs/dbraw/zinc/61/10/54/1223611054.db2.gz DJOFNOSQXMHLCU-JJRVBVJISA-N 2 2 357.458 0.924 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477904 1223623594 /nfs/dbraw/zinc/62/35/94/1223623594.db2.gz LHZWPCJAJQEXDN-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477904 1223623598 /nfs/dbraw/zinc/62/35/98/1223623598.db2.gz LHZWPCJAJQEXDN-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506869 1223626390 /nfs/dbraw/zinc/62/63/90/1223626390.db2.gz UIYLFEVLUZHBET-NVXWUHKLSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506869 1223626394 /nfs/dbraw/zinc/62/63/94/1223626394.db2.gz UIYLFEVLUZHBET-NVXWUHKLSA-N 2 2 366.506 0.014 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507110 1223626463 /nfs/dbraw/zinc/62/64/63/1223626463.db2.gz ZCEXORVXEKGTFT-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507110 1223626467 /nfs/dbraw/zinc/62/64/67/1223626467.db2.gz ZCEXORVXEKGTFT-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)C(C)C ZINC001209584970 1223632412 /nfs/dbraw/zinc/63/24/12/1223632412.db2.gz FKANLZNNKBSUHC-IIAWOOMASA-N 2 2 369.510 0.245 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C)C(C)C ZINC001209584970 1223632414 /nfs/dbraw/zinc/63/24/14/1223632414.db2.gz FKANLZNNKBSUHC-IIAWOOMASA-N 2 2 369.510 0.245 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001209726313 1223644033 /nfs/dbraw/zinc/64/40/33/1223644033.db2.gz PJHCYOLBNRSXPS-AOIWGVFYSA-N 2 2 360.458 0.865 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001209726313 1223644041 /nfs/dbraw/zinc/64/40/41/1223644041.db2.gz PJHCYOLBNRSXPS-AOIWGVFYSA-N 2 2 360.458 0.865 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001691748412 1223651198 /nfs/dbraw/zinc/65/11/98/1223651198.db2.gz OHZCLVXESNWJQY-ZBFHGGJFSA-N 2 2 350.463 0.817 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001691748412 1223651203 /nfs/dbraw/zinc/65/12/03/1223651203.db2.gz OHZCLVXESNWJQY-ZBFHGGJFSA-N 2 2 350.463 0.817 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001691748412 1223651208 /nfs/dbraw/zinc/65/12/08/1223651208.db2.gz OHZCLVXESNWJQY-ZBFHGGJFSA-N 2 2 350.463 0.817 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)[C@@H]1C ZINC001691748412 1223651212 /nfs/dbraw/zinc/65/12/12/1223651212.db2.gz OHZCLVXESNWJQY-ZBFHGGJFSA-N 2 2 350.463 0.817 20 0 FCADLP O=C(C[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2)N1CCCC1 ZINC001276678917 1223668428 /nfs/dbraw/zinc/66/84/28/1223668428.db2.gz QIOVPNKYJIDSSB-LJQANCHMSA-N 2 2 359.474 0.963 20 0 FCADLP O=C(C[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2)N1CCCC1 ZINC001276678917 1223668433 /nfs/dbraw/zinc/66/84/33/1223668433.db2.gz QIOVPNKYJIDSSB-LJQANCHMSA-N 2 2 359.474 0.963 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285338 1223680289 /nfs/dbraw/zinc/68/02/89/1223680289.db2.gz WDBAWANWBFJAPR-UKRRQHHQSA-N 2 2 364.494 0.497 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285338 1223680290 /nfs/dbraw/zinc/68/02/90/1223680290.db2.gz WDBAWANWBFJAPR-UKRRQHHQSA-N 2 2 364.494 0.497 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CCCC1)CC2 ZINC001276683229 1223685954 /nfs/dbraw/zinc/68/59/54/1223685954.db2.gz ICWWAOVCBNTRDN-INIZCTEOSA-N 2 2 359.474 0.761 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210724529 1223704827 /nfs/dbraw/zinc/70/48/27/1223704827.db2.gz YQKAQJRXUKJETH-BFYDXBDKSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210724529 1223704829 /nfs/dbraw/zinc/70/48/29/1223704829.db2.gz YQKAQJRXUKJETH-BFYDXBDKSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031207 1223719472 /nfs/dbraw/zinc/71/94/72/1223719472.db2.gz ACZLWDYQFKQSHG-RHSMWYFYSA-N 2 2 362.518 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031207 1223719476 /nfs/dbraw/zinc/71/94/76/1223719476.db2.gz ACZLWDYQFKQSHG-RHSMWYFYSA-N 2 2 362.518 0.824 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211045781 1223721754 /nfs/dbraw/zinc/72/17/54/1223721754.db2.gz ASKZTFSUVLOJED-RVKKMQEKSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211045781 1223721756 /nfs/dbraw/zinc/72/17/56/1223721756.db2.gz ASKZTFSUVLOJED-RVKKMQEKSA-N 2 2 361.490 0.690 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184268 1223729258 /nfs/dbraw/zinc/72/92/58/1223729258.db2.gz QJSHDBRYSFNANZ-OIISXLGYSA-N 2 2 366.506 0.012 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184268 1223729259 /nfs/dbraw/zinc/72/92/59/1223729259.db2.gz QJSHDBRYSFNANZ-OIISXLGYSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184268 1223729262 /nfs/dbraw/zinc/72/92/62/1223729262.db2.gz QJSHDBRYSFNANZ-OIISXLGYSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184268 1223729265 /nfs/dbraw/zinc/72/92/65/1223729265.db2.gz QJSHDBRYSFNANZ-OIISXLGYSA-N 2 2 366.506 0.012 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367168 1223737950 /nfs/dbraw/zinc/73/79/50/1223737950.db2.gz OUFSCAHHQCXXBP-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367168 1223737953 /nfs/dbraw/zinc/73/79/53/1223737953.db2.gz OUFSCAHHQCXXBP-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211367168 1223737956 /nfs/dbraw/zinc/73/79/56/1223737956.db2.gz OUFSCAHHQCXXBP-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211367168 1223737957 /nfs/dbraw/zinc/73/79/57/1223737957.db2.gz OUFSCAHHQCXXBP-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211448107 1223743178 /nfs/dbraw/zinc/74/31/78/1223743178.db2.gz YVAGCKKPSZEXGE-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211448107 1223743182 /nfs/dbraw/zinc/74/31/82/1223743182.db2.gz YVAGCKKPSZEXGE-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211448107 1223743190 /nfs/dbraw/zinc/74/31/90/1223743190.db2.gz YVAGCKKPSZEXGE-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211448107 1223743195 /nfs/dbraw/zinc/74/31/95/1223743195.db2.gz YVAGCKKPSZEXGE-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127633 1223751860 /nfs/dbraw/zinc/75/18/60/1223751860.db2.gz XSTRWKRPXNIZAX-IAGOWNOFSA-N 2 2 362.430 0.426 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127633 1223751863 /nfs/dbraw/zinc/75/18/63/1223751863.db2.gz XSTRWKRPXNIZAX-IAGOWNOFSA-N 2 2 362.430 0.426 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164388 1223761593 /nfs/dbraw/zinc/76/15/93/1223761593.db2.gz TXAQAULIBTWJCZ-HZPDHXFCSA-N 2 2 359.430 0.242 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164388 1223761598 /nfs/dbraw/zinc/76/15/98/1223761598.db2.gz TXAQAULIBTWJCZ-HZPDHXFCSA-N 2 2 359.430 0.242 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221625 1223771202 /nfs/dbraw/zinc/77/12/02/1223771202.db2.gz KSENOHIQYVYPBP-HZPDHXFCSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221625 1223771206 /nfs/dbraw/zinc/77/12/06/1223771206.db2.gz KSENOHIQYVYPBP-HZPDHXFCSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342197 1223788219 /nfs/dbraw/zinc/78/82/19/1223788219.db2.gz LHYQERDSUPXOKS-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342197 1223788220 /nfs/dbraw/zinc/78/82/20/1223788220.db2.gz LHYQERDSUPXOKS-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374494 1223791680 /nfs/dbraw/zinc/79/16/80/1223791680.db2.gz JADWBEHSUPTNSO-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374494 1223791683 /nfs/dbraw/zinc/79/16/83/1223791683.db2.gz JADWBEHSUPTNSO-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374550 1223791971 /nfs/dbraw/zinc/79/19/71/1223791971.db2.gz LUANLEAEGKBJGU-BRWVUGGUSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374550 1223791973 /nfs/dbraw/zinc/79/19/73/1223791973.db2.gz LUANLEAEGKBJGU-BRWVUGGUSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001213439991 1223798997 /nfs/dbraw/zinc/79/89/97/1223798997.db2.gz DPGPEQCBHFWJFT-KBAYOESNSA-N 2 2 364.490 0.994 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001213439991 1223798999 /nfs/dbraw/zinc/79/89/99/1223798999.db2.gz DPGPEQCBHFWJFT-KBAYOESNSA-N 2 2 364.490 0.994 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578765 1223817097 /nfs/dbraw/zinc/81/70/97/1223817097.db2.gz VUYAULBAKAEOIB-NUEKZKHPSA-N 2 2 365.478 0.264 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578765 1223817099 /nfs/dbraw/zinc/81/70/99/1223817099.db2.gz VUYAULBAKAEOIB-NUEKZKHPSA-N 2 2 365.478 0.264 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213598497 1223820212 /nfs/dbraw/zinc/82/02/12/1223820212.db2.gz HNGHOCJXHBUPOL-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213598497 1223820215 /nfs/dbraw/zinc/82/02/15/1223820215.db2.gz HNGHOCJXHBUPOL-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213598989 1223820555 /nfs/dbraw/zinc/82/05/55/1223820555.db2.gz PINFBXJFGZLWDL-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213598989 1223820557 /nfs/dbraw/zinc/82/05/57/1223820557.db2.gz PINFBXJFGZLWDL-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213598383 1223820588 /nfs/dbraw/zinc/82/05/88/1223820588.db2.gz FOJYSAWRKUUYEJ-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213598383 1223820590 /nfs/dbraw/zinc/82/05/90/1223820590.db2.gz FOJYSAWRKUUYEJ-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213599125 1223820677 /nfs/dbraw/zinc/82/06/77/1223820677.db2.gz TYTQMNXIBUFIGO-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213599125 1223820679 /nfs/dbraw/zinc/82/06/79/1223820679.db2.gz TYTQMNXIBUFIGO-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]1OC ZINC001213676204 1223831348 /nfs/dbraw/zinc/83/13/48/1223831348.db2.gz VNHHOLVFVVKQQZ-HZPDHXFCSA-N 2 2 370.538 0.696 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NCCC(C)(C)C)C[C@H]1OC ZINC001213676204 1223831349 /nfs/dbraw/zinc/83/13/49/1223831349.db2.gz VNHHOLVFVVKQQZ-HZPDHXFCSA-N 2 2 370.538 0.696 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1OC ZINC001213676204 1223831352 /nfs/dbraw/zinc/83/13/52/1223831352.db2.gz VNHHOLVFVVKQQZ-HZPDHXFCSA-N 2 2 370.538 0.696 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]1OC ZINC001213676204 1223831354 /nfs/dbraw/zinc/83/13/54/1223831354.db2.gz VNHHOLVFVVKQQZ-HZPDHXFCSA-N 2 2 370.538 0.696 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](CCn1ccnc1)C2 ZINC001276704262 1223833576 /nfs/dbraw/zinc/83/35/76/1223833576.db2.gz CAXWJXMVTKVTOR-GOSISDBHSA-N 2 2 358.446 0.331 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](CCn1ccnc1)C2 ZINC001276704262 1223833579 /nfs/dbraw/zinc/83/35/79/1223833579.db2.gz CAXWJXMVTKVTOR-GOSISDBHSA-N 2 2 358.446 0.331 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213712886 1223837429 /nfs/dbraw/zinc/83/74/29/1223837429.db2.gz GDQBKAIXTWGUED-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213712886 1223837430 /nfs/dbraw/zinc/83/74/30/1223837430.db2.gz GDQBKAIXTWGUED-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C(=O)N1Cc1ncccn1 ZINC001276704899 1223844338 /nfs/dbraw/zinc/84/43/38/1223844338.db2.gz JWJYJMSLEIJMJY-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C(=O)N1Cc1ncccn1 ZINC001276704899 1223844340 /nfs/dbraw/zinc/84/43/40/1223844340.db2.gz JWJYJMSLEIJMJY-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751506 1223844376 /nfs/dbraw/zinc/84/43/76/1223844376.db2.gz HRDORRCMBMENLQ-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751506 1223844379 /nfs/dbraw/zinc/84/43/79/1223844379.db2.gz HRDORRCMBMENLQ-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213763206 1223845531 /nfs/dbraw/zinc/84/55/31/1223845531.db2.gz HRGYMZAXASHZNQ-NVXWUHKLSA-N 2 2 366.510 0.654 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213763206 1223845533 /nfs/dbraw/zinc/84/55/33/1223845533.db2.gz HRGYMZAXASHZNQ-NVXWUHKLSA-N 2 2 366.510 0.654 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213763206 1223845534 /nfs/dbraw/zinc/84/55/34/1223845534.db2.gz HRGYMZAXASHZNQ-NVXWUHKLSA-N 2 2 366.510 0.654 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213763206 1223845536 /nfs/dbraw/zinc/84/55/36/1223845536.db2.gz HRGYMZAXASHZNQ-NVXWUHKLSA-N 2 2 366.510 0.654 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213763296 1223846317 /nfs/dbraw/zinc/84/63/17/1223846317.db2.gz NCCMFWKTLHORBL-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213763296 1223846321 /nfs/dbraw/zinc/84/63/21/1223846321.db2.gz NCCMFWKTLHORBL-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213763296 1223846322 /nfs/dbraw/zinc/84/63/22/1223846322.db2.gz NCCMFWKTLHORBL-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213763296 1223846323 /nfs/dbraw/zinc/84/63/23/1223846323.db2.gz NCCMFWKTLHORBL-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP O=C1C[C@@]2(CN1CCN1CCOCC1)CCCC[N@@H+]2CCn1cc[nH+]c1 ZINC001276705165 1223848995 /nfs/dbraw/zinc/84/89/95/1223848995.db2.gz MAICYEYDPTZDOZ-LJQANCHMSA-N 2 2 361.490 0.672 20 0 FCADLP O=C1C[C@@]2(CN1CCN1CCOCC1)CCCC[N@H+]2CCn1cc[nH+]c1 ZINC001276705165 1223848996 /nfs/dbraw/zinc/84/89/96/1223848996.db2.gz MAICYEYDPTZDOZ-LJQANCHMSA-N 2 2 361.490 0.672 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859587 1223862253 /nfs/dbraw/zinc/86/22/53/1223862253.db2.gz GKQKJYRXDQHZSG-NUEKZKHPSA-N 2 2 365.478 0.264 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859587 1223862254 /nfs/dbraw/zinc/86/22/54/1223862254.db2.gz GKQKJYRXDQHZSG-NUEKZKHPSA-N 2 2 365.478 0.264 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868364 1223865200 /nfs/dbraw/zinc/86/52/00/1223865200.db2.gz TZEACGQSXABXMW-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868364 1223865202 /nfs/dbraw/zinc/86/52/02/1223865202.db2.gz TZEACGQSXABXMW-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914828 1223871433 /nfs/dbraw/zinc/87/14/33/1223871433.db2.gz YYGFEAHJTBRLGU-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914828 1223871435 /nfs/dbraw/zinc/87/14/35/1223871435.db2.gz YYGFEAHJTBRLGU-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974396 1223880188 /nfs/dbraw/zinc/88/01/88/1223880188.db2.gz YACZYWVVZLOPCW-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974396 1223880189 /nfs/dbraw/zinc/88/01/89/1223880189.db2.gz YACZYWVVZLOPCW-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214531006 1223918516 /nfs/dbraw/zinc/91/85/16/1223918516.db2.gz JSKJAPJXWATEEL-RBSFLKMASA-N 2 2 363.462 0.074 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001214655141 1223929501 /nfs/dbraw/zinc/92/95/01/1223929501.db2.gz AKUNNTKOUVTWHU-QBPKDAKJSA-N 2 2 373.501 0.727 20 0 FCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812088 1223944705 /nfs/dbraw/zinc/94/47/05/1223944705.db2.gz RLUCMFODMPWNDA-TZMCWYRMSA-N 2 2 364.450 0.015 20 0 FCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812088 1223944710 /nfs/dbraw/zinc/94/47/10/1223944710.db2.gz RLUCMFODMPWNDA-TZMCWYRMSA-N 2 2 364.450 0.015 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214894464 1223952552 /nfs/dbraw/zinc/95/25/52/1223952552.db2.gz MGUNGKGWHIXXOE-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001214894464 1223952556 /nfs/dbraw/zinc/95/25/56/1223952556.db2.gz MGUNGKGWHIXXOE-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214988261 1223961854 /nfs/dbraw/zinc/96/18/54/1223961854.db2.gz RNNLXSOZYVYORC-FRFSOERESA-N 2 2 359.474 0.408 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005755 1223963618 /nfs/dbraw/zinc/96/36/18/1223963618.db2.gz HDQNVEWITIETTE-BZUAXINKSA-N 2 2 361.490 0.798 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C1)C2 ZINC001215005745 1223963738 /nfs/dbraw/zinc/96/37/38/1223963738.db2.gz GXQODTUTCNAUSB-CJBNDPTMSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C1)CC2 ZINC001215005745 1223963741 /nfs/dbraw/zinc/96/37/41/1223963741.db2.gz GXQODTUTCNAUSB-CJBNDPTMSA-N 2 2 359.474 0.538 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215005940 1223963768 /nfs/dbraw/zinc/96/37/68/1223963768.db2.gz LVGJTFSDSZBETK-RBSFLKMASA-N 2 2 361.490 0.797 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215134671 1223976981 /nfs/dbraw/zinc/97/69/81/1223976981.db2.gz YTILKPHBAQQQHX-BZUAXINKSA-N 2 2 368.441 0.642 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001215200148 1223981607 /nfs/dbraw/zinc/98/16/07/1223981607.db2.gz QZWMVRKPIGMDNY-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200109 1223981629 /nfs/dbraw/zinc/98/16/29/1223981629.db2.gz PIXYNPPCYUHIFV-BRWVUGGUSA-N 2 2 366.506 0.823 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001215199733 1223981688 /nfs/dbraw/zinc/98/16/88/1223981688.db2.gz BVLRPSVAEYFYHD-HZPDHXFCSA-N 2 2 361.490 0.802 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001215226835 1223983742 /nfs/dbraw/zinc/98/37/42/1223983742.db2.gz UJJPIDFWHATUAB-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)on1 ZINC001215268892 1223986907 /nfs/dbraw/zinc/98/69/07/1223986907.db2.gz BXUDDBIKVRVMJO-TZMCWYRMSA-N 2 2 360.418 0.645 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001215385665 1223995425 /nfs/dbraw/zinc/99/54/25/1223995425.db2.gz TZTKZIAABNVERM-NXHRZFHOSA-N 2 2 369.506 0.075 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001215385665 1223995429 /nfs/dbraw/zinc/99/54/29/1223995429.db2.gz TZTKZIAABNVERM-NXHRZFHOSA-N 2 2 369.506 0.075 20 0 FCADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)c1ccco1 ZINC001215681450 1224012587 /nfs/dbraw/zinc/01/25/87/1224012587.db2.gz ZZRSVNGJKLVXNQ-UMVBOHGHSA-N 2 2 359.430 0.859 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1)n1cc[nH+]c1 ZINC001215709608 1224013273 /nfs/dbraw/zinc/01/32/73/1224013273.db2.gz CMUDOLXJCZUQOI-HZSPNIEDSA-N 2 2 360.418 0.897 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1)n1cc[nH+]c1 ZINC001215704862 1224013285 /nfs/dbraw/zinc/01/32/85/1224013285.db2.gz ARWNZPLPYDWMCH-QLFBSQMISA-N 2 2 371.445 0.699 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216361450 1224046600 /nfs/dbraw/zinc/04/66/00/1224046600.db2.gz HWIUEJKJXMCLNR-RHSMWYFYSA-N 2 2 370.457 0.842 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216857567 1224079495 /nfs/dbraw/zinc/07/94/95/1224079495.db2.gz ZFLSWYJZKPERON-KYJSFNMBSA-N 2 2 361.490 0.599 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216857568 1224079846 /nfs/dbraw/zinc/07/98/46/1224079846.db2.gz ZFLSWYJZKPERON-QGPMSJSTSA-N 2 2 361.490 0.599 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216858868 1224079878 /nfs/dbraw/zinc/07/98/78/1224079878.db2.gz CHJQMCJSDNMJGV-MZMPZRCHSA-N 2 2 359.474 0.399 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216987455 1224083166 /nfs/dbraw/zinc/08/31/66/1224083166.db2.gz GZRACKAAFKNDCS-HUUCEWRRSA-N 2 2 371.445 0.529 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001217001435 1224083924 /nfs/dbraw/zinc/08/39/24/1224083924.db2.gz VVCKSEAYZLIQMS-MGPQQGTHSA-N 2 2 357.418 0.137 20 0 FCADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1 ZINC001217001497 1224084067 /nfs/dbraw/zinc/08/40/67/1224084067.db2.gz XCDIHGZMSHBXQX-RHSMWYFYSA-N 2 2 371.441 0.967 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719181 1226171902 /nfs/dbraw/zinc/17/19/02/1226171902.db2.gz LBTBLTQHWOEKBX-MAUKXSAKSA-N 2 2 364.446 0.159 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719181 1226171907 /nfs/dbraw/zinc/17/19/07/1226171907.db2.gz LBTBLTQHWOEKBX-MAUKXSAKSA-N 2 2 364.446 0.159 20 0 FCADLP O=C1COCC2(C[NH+](C[C@H](O)c3ccccc3)C2)N1CCn1cc[nH+]c1 ZINC001277722468 1226175173 /nfs/dbraw/zinc/17/51/73/1226175173.db2.gz LJVXUJHXHRSDNP-KRWDZBQOSA-N 2 2 356.426 0.530 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)oc1C ZINC000978347676 1248730836 /nfs/dbraw/zinc/73/08/36/1248730836.db2.gz DIOWBYRQDBBVMK-OFGYBXGMSA-N 2 2 362.474 0.805 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)oc1C ZINC000978347676 1248730846 /nfs/dbraw/zinc/73/08/46/1248730846.db2.gz DIOWBYRQDBBVMK-OFGYBXGMSA-N 2 2 362.474 0.805 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)oc1C ZINC000978347676 1248730853 /nfs/dbraw/zinc/73/08/53/1248730853.db2.gz DIOWBYRQDBBVMK-OFGYBXGMSA-N 2 2 362.474 0.805 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)oc1C ZINC000978347676 1248730862 /nfs/dbraw/zinc/73/08/62/1248730862.db2.gz DIOWBYRQDBBVMK-OFGYBXGMSA-N 2 2 362.474 0.805 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(F)cn4)C[C@H]32)O1 ZINC000978347327 1248731669 /nfs/dbraw/zinc/73/16/69/1248731669.db2.gz CKRNGWMHLNIIES-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(F)cn4)C[C@H]32)O1 ZINC000978347327 1248731675 /nfs/dbraw/zinc/73/16/75/1248731675.db2.gz CKRNGWMHLNIIES-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(F)cn4)C[C@H]32)O1 ZINC000978347327 1248731681 /nfs/dbraw/zinc/73/16/81/1248731681.db2.gz CKRNGWMHLNIIES-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(F)cn4)C[C@H]32)O1 ZINC000978347327 1248731687 /nfs/dbraw/zinc/73/16/87/1248731687.db2.gz CKRNGWMHLNIIES-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000985344571 1248884469 /nfs/dbraw/zinc/88/44/69/1248884469.db2.gz GMGNLZBKPQFCBG-HRCADAONSA-N 2 2 359.474 0.790 20 0 FCADLP CCn1ncc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491188 1248940472 /nfs/dbraw/zinc/94/04/72/1248940472.db2.gz DEMFLZDCSWKFMX-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1ncc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491188 1248940480 /nfs/dbraw/zinc/94/04/80/1248940480.db2.gz DEMFLZDCSWKFMX-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1ncc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491188 1248940486 /nfs/dbraw/zinc/94/04/86/1248940486.db2.gz DEMFLZDCSWKFMX-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1ncc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491188 1248940494 /nfs/dbraw/zinc/94/04/94/1248940494.db2.gz DEMFLZDCSWKFMX-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000986769859 1248993327 /nfs/dbraw/zinc/99/33/27/1248993327.db2.gz BQLLWEYTKFMGCA-CVEARBPZSA-N 2 2 371.485 0.888 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000993200472 1249373039 /nfs/dbraw/zinc/37/30/39/1249373039.db2.gz IBPIRMNMOXFJIE-ZRGWGRIASA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000993200472 1249373046 /nfs/dbraw/zinc/37/30/46/1249373046.db2.gz IBPIRMNMOXFJIE-ZRGWGRIASA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000993200214 1249373444 /nfs/dbraw/zinc/37/34/44/1249373444.db2.gz FCVDQOYRUJMAJW-ZSZQSSIHSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000993200214 1249373454 /nfs/dbraw/zinc/37/34/54/1249373454.db2.gz FCVDQOYRUJMAJW-ZSZQSSIHSA-N 2 2 359.474 0.662 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000993316579 1249460486 /nfs/dbraw/zinc/46/04/86/1249460486.db2.gz LGBHHKJKTADFLR-RZQQEMMASA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993436915 1249537231 /nfs/dbraw/zinc/53/72/31/1249537231.db2.gz NZMIMOQOICYYHB-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993436915 1249537239 /nfs/dbraw/zinc/53/72/39/1249537239.db2.gz NZMIMOQOICYYHB-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993570924 1249712148 /nfs/dbraw/zinc/71/21/48/1249712148.db2.gz FQTGAZHCEYRQKO-FVQBIDKESA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993570924 1249712160 /nfs/dbraw/zinc/71/21/60/1249712160.db2.gz FQTGAZHCEYRQKO-FVQBIDKESA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000993579395 1249726140 /nfs/dbraw/zinc/72/61/40/1249726140.db2.gz PEPYCWHTPMOPKJ-VXGBXAGGSA-N 2 2 367.400 0.192 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1cc[nH]c1 ZINC000993590235 1249747922 /nfs/dbraw/zinc/74/79/22/1249747922.db2.gz FOHPBODUYFDUIZ-BZUAXINKSA-N 2 2 370.457 0.567 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1cc[nH]c1 ZINC000993590235 1249747928 /nfs/dbraw/zinc/74/79/28/1249747928.db2.gz FOHPBODUYFDUIZ-BZUAXINKSA-N 2 2 370.457 0.567 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccc[nH]1 ZINC000993605537 1249790794 /nfs/dbraw/zinc/79/07/94/1249790794.db2.gz FQERYLNNZPWMRY-SQWLQELKSA-N 2 2 370.457 0.424 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccc[nH]1 ZINC000993605537 1249790809 /nfs/dbraw/zinc/79/08/09/1249790809.db2.gz FQERYLNNZPWMRY-SQWLQELKSA-N 2 2 370.457 0.424 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1c1c[nH+]cn1C ZINC000993610910 1249809637 /nfs/dbraw/zinc/80/96/37/1249809637.db2.gz CKUFIZUICVEAFX-HUUCEWRRSA-N 2 2 370.457 0.836 20 0 FCADLP CC(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1c[nH+]cn1C ZINC000993615100 1249822228 /nfs/dbraw/zinc/82/22/28/1249822228.db2.gz WKKSOPDPWQVWOF-NUJGCVRESA-N 2 2 359.474 0.725 20 0 FCADLP CC[C@H](F)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000993621889 1249847768 /nfs/dbraw/zinc/84/77/68/1249847768.db2.gz LMMKISYNJVWSMA-QLFBSQMISA-N 2 2 365.453 0.675 20 0 FCADLP O=C(CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc[nH+]2)CC1 ZINC000891464439 1245450965 /nfs/dbraw/zinc/45/09/65/1245450965.db2.gz LQNNJBLPSFFYBJ-IYBDPMFKSA-N 2 2 372.473 0.266 20 0 FCADLP C[NH+](C)C1(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000915543654 1245523257 /nfs/dbraw/zinc/52/32/57/1245523257.db2.gz YHMQBHDFOWPBTI-UHFFFAOYSA-N 2 2 374.489 0.514 20 0 FCADLP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000921748552 1245649943 /nfs/dbraw/zinc/64/99/43/1245649943.db2.gz XNCPENFYLWGSEV-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000938040141 1245814005 /nfs/dbraw/zinc/81/40/05/1245814005.db2.gz XAQFIRVFBIATSN-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000938040141 1245814015 /nfs/dbraw/zinc/81/40/15/1245814015.db2.gz XAQFIRVFBIATSN-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000938861301 1245940306 /nfs/dbraw/zinc/94/03/06/1245940306.db2.gz FUTLPIOOCRWICA-NUEKZKHPSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000938861301 1245940312 /nfs/dbraw/zinc/94/03/12/1245940312.db2.gz FUTLPIOOCRWICA-NUEKZKHPSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC000941273542 1246535731 /nfs/dbraw/zinc/53/57/31/1246535731.db2.gz JHQFWSHRJZXMBN-FRFSOERESA-N 2 2 371.441 0.384 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000941480534 1246643172 /nfs/dbraw/zinc/64/31/72/1246643172.db2.gz AWYBJLSVHMZGFM-HZPDHXFCSA-N 2 2 359.474 0.916 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000941480534 1246643179 /nfs/dbraw/zinc/64/31/79/1246643179.db2.gz AWYBJLSVHMZGFM-HZPDHXFCSA-N 2 2 359.474 0.916 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000942595979 1247153584 /nfs/dbraw/zinc/15/35/84/1247153584.db2.gz OMAXUIKVLQPAMX-OWCLPIDISA-N 2 2 363.462 0.087 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000942595979 1247153593 /nfs/dbraw/zinc/15/35/93/1247153593.db2.gz OMAXUIKVLQPAMX-OWCLPIDISA-N 2 2 363.462 0.087 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631727 1247927691 /nfs/dbraw/zinc/92/76/91/1247927691.db2.gz VVNARTJBOIAZAF-YCCFLXJFSA-N 2 2 359.474 0.948 20 0 FCADLP 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1251421999 /nfs/dbraw/zinc/42/19/99/1251421999.db2.gz WJHPGUJQLCKNOH-UKRRQHHQSA-N 2 2 365.478 0.993 20 0 FCADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996721701 1251424421 /nfs/dbraw/zinc/42/44/21/1251424421.db2.gz ZOIHDMGABXSZNA-VNHYZAJKSA-N 2 2 365.478 0.993 20 0 FCADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996721701 1251424428 /nfs/dbraw/zinc/42/44/28/1251424428.db2.gz ZOIHDMGABXSZNA-VNHYZAJKSA-N 2 2 365.478 0.993 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC000997021561 1251472934 /nfs/dbraw/zinc/47/29/34/1251472934.db2.gz HZPZGVIZLAFIQX-BZUAXINKSA-N 2 2 369.473 0.883 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997177244 1251504394 /nfs/dbraw/zinc/50/43/94/1251504394.db2.gz NNVZRPMUDIIBNV-IIDMSEBBSA-N 2 2 363.506 0.856 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000997177244 1251504398 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CCCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916561 1253848343 /nfs/dbraw/zinc/84/83/43/1253848343.db2.gz KGAYIHOLTIDSEC-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCCC3)C2)O1 ZINC001027463539 1253855295 /nfs/dbraw/zinc/85/52/95/1253855295.db2.gz CTSFQNFNWQOZAQ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)CC(=O)N3CCCC3)C2)O1 ZINC001027463539 1253855305 /nfs/dbraw/zinc/85/53/05/1253855305.db2.gz CTSFQNFNWQOZAQ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC(=O)N3CCCC3)C2)O1 ZINC001027463539 1253855314 /nfs/dbraw/zinc/85/53/14/1253855314.db2.gz CTSFQNFNWQOZAQ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)O1 ZINC001027463539 1253855319 /nfs/dbraw/zinc/85/53/19/1253855319.db2.gz CTSFQNFNWQOZAQ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)O1 ZINC001031764033 1253890459 /nfs/dbraw/zinc/89/04/59/1253890459.db2.gz RXLGHJSSFKHYHC-RDTXWAMCSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)O1 ZINC001031764033 1253890471 /nfs/dbraw/zinc/89/04/71/1253890471.db2.gz RXLGHJSSFKHYHC-RDTXWAMCSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031764017 1253891924 /nfs/dbraw/zinc/89/19/24/1253891924.db2.gz RCEPHFPVDIHRJZ-CKEIUWERSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031764017 1253891932 /nfs/dbraw/zinc/89/19/32/1253891932.db2.gz RCEPHFPVDIHRJZ-CKEIUWERSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@@H]3C)C2)O1 ZINC001031765512 1253893016 /nfs/dbraw/zinc/89/30/16/1253893016.db2.gz IHTGQTHPQVJKEL-ZMSDIMECSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@@H]3C)C2)O1 ZINC001031765512 1253893027 /nfs/dbraw/zinc/89/30/27/1253893027.db2.gz IHTGQTHPQVJKEL-ZMSDIMECSA-N 2 2 366.506 0.155 20 0 FCADLP COc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001031768469 1253893578 /nfs/dbraw/zinc/89/35/78/1253893578.db2.gz FANFMVCWNROPPW-MLGOLLRUSA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)n1 ZINC001031768469 1253893587 /nfs/dbraw/zinc/89/35/87/1253893587.db2.gz FANFMVCWNROPPW-MLGOLLRUSA-N 2 2 363.462 0.061 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183865 1253949702 /nfs/dbraw/zinc/94/97/02/1253949702.db2.gz GPIYTLHFDWADBG-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183865 1253949704 /nfs/dbraw/zinc/94/97/04/1253949704.db2.gz GPIYTLHFDWADBG-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183865 1253949707 /nfs/dbraw/zinc/94/97/07/1253949707.db2.gz GPIYTLHFDWADBG-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183865 1253949711 /nfs/dbraw/zinc/94/97/11/1253949711.db2.gz GPIYTLHFDWADBG-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034402412 1253992649 /nfs/dbraw/zinc/99/26/49/1253992649.db2.gz ORRTULLNAGMGLF-BZUAXINKSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034402412 1253992669 /nfs/dbraw/zinc/99/26/69/1253992669.db2.gz ORRTULLNAGMGLF-BZUAXINKSA-N 2 2 357.462 0.786 20 0 FCADLP COCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034939838 1254011445 /nfs/dbraw/zinc/01/14/45/1254011445.db2.gz ODDWBSPYMMBKGA-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP COCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034939838 1254011448 /nfs/dbraw/zinc/01/14/48/1254011448.db2.gz ODDWBSPYMMBKGA-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C3CC3)[nH]2)O1 ZINC001034975161 1254012879 /nfs/dbraw/zinc/01/28/79/1254012879.db2.gz OBVGXFXFCCTGML-BPLDGKMQSA-N 2 2 362.478 0.482 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C3CC3)[nH]2)O1 ZINC001034975161 1254012898 /nfs/dbraw/zinc/01/28/98/1254012898.db2.gz OBVGXFXFCCTGML-BPLDGKMQSA-N 2 2 362.478 0.482 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)CCO2)CC[N@@H+]1C ZINC001035372510 1254027819 /nfs/dbraw/zinc/02/78/19/1254027819.db2.gz ONDSOSYTXOHMCC-DJIMGWMZSA-N 2 2 362.474 0.043 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)CCO2)CC[N@H+]1C ZINC001035372510 1254027830 /nfs/dbraw/zinc/02/78/30/1254027830.db2.gz ONDSOSYTXOHMCC-DJIMGWMZSA-N 2 2 362.474 0.043 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CCO2)CC[NH+]1C ZINC001035372510 1254027842 /nfs/dbraw/zinc/02/78/42/1254027842.db2.gz ONDSOSYTXOHMCC-DJIMGWMZSA-N 2 2 362.474 0.043 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CCO2)CC[NH+]1C ZINC001035372510 1254027855 /nfs/dbraw/zinc/02/78/55/1254027855.db2.gz ONDSOSYTXOHMCC-DJIMGWMZSA-N 2 2 362.474 0.043 20 0 FCADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035517432 1254050559 /nfs/dbraw/zinc/05/05/59/1254050559.db2.gz UBGPAJRLGLSQEX-QRVBRYPASA-N 2 2 361.486 0.795 20 0 FCADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035517432 1254050572 /nfs/dbraw/zinc/05/05/72/1254050572.db2.gz UBGPAJRLGLSQEX-QRVBRYPASA-N 2 2 361.486 0.795 20 0 FCADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035517432 1254050582 /nfs/dbraw/zinc/05/05/82/1254050582.db2.gz UBGPAJRLGLSQEX-QRVBRYPASA-N 2 2 361.486 0.795 20 0 FCADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035517432 1254050593 /nfs/dbraw/zinc/05/05/93/1254050593.db2.gz UBGPAJRLGLSQEX-QRVBRYPASA-N 2 2 361.486 0.795 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC[N@@H+]1C ZINC001059854073 1254120737 /nfs/dbraw/zinc/12/07/37/1254120737.db2.gz YAASHQHBAYSSHL-APIJFGDWSA-N 2 2 358.490 0.864 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC[N@H+]1C ZINC001059854073 1254120743 /nfs/dbraw/zinc/12/07/43/1254120743.db2.gz YAASHQHBAYSSHL-APIJFGDWSA-N 2 2 358.490 0.864 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncnc4c3C[N@H+](C)CC4)C2)CC[NH+]1C ZINC001059854073 1254120748 /nfs/dbraw/zinc/12/07/48/1254120748.db2.gz YAASHQHBAYSSHL-APIJFGDWSA-N 2 2 358.490 0.864 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncnc4c3C[N@@H+](C)CC4)C2)CC[NH+]1C ZINC001059854073 1254120752 /nfs/dbraw/zinc/12/07/52/1254120752.db2.gz YAASHQHBAYSSHL-APIJFGDWSA-N 2 2 358.490 0.864 20 0 FCADLP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001063489201 1254344390 /nfs/dbraw/zinc/34/43/90/1254344390.db2.gz BGXYXWUWARUFRJ-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001063489201 1254344400 /nfs/dbraw/zinc/34/44/00/1254344400.db2.gz BGXYXWUWARUFRJ-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCc3c[nH+]cn3C)CCC2)CC[N@@H+]1C ZINC001063983334 1254408843 /nfs/dbraw/zinc/40/88/43/1254408843.db2.gz HSJNISJELFTNED-GDBMZVCRSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCc3c[nH+]cn3C)CCC2)CC[N@H+]1C ZINC001063983334 1254408853 /nfs/dbraw/zinc/40/88/53/1254408853.db2.gz HSJNISJELFTNED-GDBMZVCRSA-N 2 2 361.490 0.848 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065299014 1254508620 /nfs/dbraw/zinc/50/86/20/1254508620.db2.gz YHRRDJGQMFFRSQ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065299014 1254508629 /nfs/dbraw/zinc/50/86/29/1254508629.db2.gz YHRRDJGQMFFRSQ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065299014 1254508636 /nfs/dbraw/zinc/50/86/36/1254508636.db2.gz YHRRDJGQMFFRSQ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065299014 1254508641 /nfs/dbraw/zinc/50/86/41/1254508641.db2.gz YHRRDJGQMFFRSQ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CC[NH+](C)C)C3)CC2)O1 ZINC001065713412 1254581861 /nfs/dbraw/zinc/58/18/61/1254581861.db2.gz RSGVMHKMXIJLDH-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001065712867 1254582602 /nfs/dbraw/zinc/58/26/02/1254582602.db2.gz GYECUVFOVBMAIJ-NUJGCVRESA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001065712911 1254582820 /nfs/dbraw/zinc/58/28/20/1254582820.db2.gz HYKFJCTVMUTBOO-NUJGCVRESA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CC[NH+](C)C)C3)CC2)O1 ZINC001065713411 1254583328 /nfs/dbraw/zinc/58/33/28/1254583328.db2.gz RSGVMHKMXIJLDH-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001520257756 1265891131 /nfs/dbraw/zinc/89/11/31/1265891131.db2.gz AAXCRMIPABIUJE-HOCLYGCPSA-N 2 2 363.510 0.906 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001520257756 1265891135 /nfs/dbraw/zinc/89/11/35/1265891135.db2.gz AAXCRMIPABIUJE-HOCLYGCPSA-N 2 2 363.510 0.906 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)c1 ZINC001077565746 1254698907 /nfs/dbraw/zinc/69/89/07/1254698907.db2.gz WRPXNSJLNJHCTD-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC001077565746 1254698919 /nfs/dbraw/zinc/69/89/19/1254698919.db2.gz WRPXNSJLNJHCTD-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077565746 1254698938 /nfs/dbraw/zinc/69/89/38/1254698938.db2.gz WRPXNSJLNJHCTD-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077565746 1254698951 /nfs/dbraw/zinc/69/89/51/1254698951.db2.gz WRPXNSJLNJHCTD-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675729 1254856565 /nfs/dbraw/zinc/85/65/65/1254856565.db2.gz XBNDDFXSPLYQRG-BMGDILEWSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675729 1254856582 /nfs/dbraw/zinc/85/65/82/1254856582.db2.gz XBNDDFXSPLYQRG-BMGDILEWSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675729 1254856593 /nfs/dbraw/zinc/85/65/93/1254856593.db2.gz XBNDDFXSPLYQRG-BMGDILEWSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675729 1254856608 /nfs/dbraw/zinc/85/66/08/1254856608.db2.gz XBNDDFXSPLYQRG-BMGDILEWSA-N 2 2 363.506 0.918 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001077685318 1254879361 /nfs/dbraw/zinc/87/93/61/1254879361.db2.gz KPJMHHIAAPYQOJ-HUUCEWRRSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001077685318 1254879375 /nfs/dbraw/zinc/87/93/75/1254879375.db2.gz KPJMHHIAAPYQOJ-HUUCEWRRSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC001077685318 1254879384 /nfs/dbraw/zinc/87/93/84/1254879384.db2.gz KPJMHHIAAPYQOJ-HUUCEWRRSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC001077685318 1254879394 /nfs/dbraw/zinc/87/93/94/1254879394.db2.gz KPJMHHIAAPYQOJ-HUUCEWRRSA-N 2 2 364.490 0.939 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)n1 ZINC001077685340 1254880280 /nfs/dbraw/zinc/88/02/80/1254880280.db2.gz LORHGLKWNNQDLN-IAGOWNOFSA-N 2 2 363.506 0.393 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)n1 ZINC001077685340 1254880291 /nfs/dbraw/zinc/88/02/91/1254880291.db2.gz LORHGLKWNNQDLN-IAGOWNOFSA-N 2 2 363.506 0.393 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC001077685340 1254880301 /nfs/dbraw/zinc/88/03/01/1254880301.db2.gz LORHGLKWNNQDLN-IAGOWNOFSA-N 2 2 363.506 0.393 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC001077685340 1254880304 /nfs/dbraw/zinc/88/03/04/1254880304.db2.gz LORHGLKWNNQDLN-IAGOWNOFSA-N 2 2 363.506 0.393 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077843994 1255042131 /nfs/dbraw/zinc/04/21/31/1255042131.db2.gz QPLGSAIVDVXCRX-RTBURBONSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077843994 1255042136 /nfs/dbraw/zinc/04/21/36/1255042136.db2.gz QPLGSAIVDVXCRX-RTBURBONSA-N 2 2 371.485 0.765 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941515 1255114107 /nfs/dbraw/zinc/11/41/07/1255114107.db2.gz TVJWQBCDBDORTA-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941515 1255114113 /nfs/dbraw/zinc/11/41/13/1255114113.db2.gz TVJWQBCDBDORTA-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941455 1255114190 /nfs/dbraw/zinc/11/41/90/1255114190.db2.gz PBPNIYQWRZXEJW-IAOVAPTHSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941455 1255114198 /nfs/dbraw/zinc/11/41/98/1255114198.db2.gz PBPNIYQWRZXEJW-IAOVAPTHSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992105 1255151492 /nfs/dbraw/zinc/15/14/92/1255151492.db2.gz ITZWIOKFDPMBCS-KBRIMQKVSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992105 1255151496 /nfs/dbraw/zinc/15/14/96/1255151496.db2.gz ITZWIOKFDPMBCS-KBRIMQKVSA-N 2 2 357.414 0.079 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018066 1255173370 /nfs/dbraw/zinc/17/33/70/1255173370.db2.gz LVWJHDHYYOCOSU-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018066 1255173374 /nfs/dbraw/zinc/17/33/74/1255173374.db2.gz LVWJHDHYYOCOSU-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078080941 1255212496 /nfs/dbraw/zinc/21/24/96/1255212496.db2.gz LNNGQVVOPKQEKP-RTBURBONSA-N 2 2 370.453 0.695 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078080941 1255212502 /nfs/dbraw/zinc/21/25/02/1255212502.db2.gz LNNGQVVOPKQEKP-RTBURBONSA-N 2 2 370.453 0.695 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174304 1255288456 /nfs/dbraw/zinc/28/84/56/1255288456.db2.gz HWWGKBQTGKCQIW-ARFHVFGLSA-N 2 2 361.442 0.071 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174304 1255288463 /nfs/dbraw/zinc/28/84/63/1255288463.db2.gz HWWGKBQTGKCQIW-ARFHVFGLSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174304 1255288468 /nfs/dbraw/zinc/28/84/68/1255288468.db2.gz HWWGKBQTGKCQIW-ARFHVFGLSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174304 1255288472 /nfs/dbraw/zinc/28/84/72/1255288472.db2.gz HWWGKBQTGKCQIW-ARFHVFGLSA-N 2 2 361.442 0.071 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001078180004 1255295208 /nfs/dbraw/zinc/29/52/08/1255295208.db2.gz IRTQWPPKMJAMFJ-BZUAXINKSA-N 2 2 361.442 0.084 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1O ZINC001078180004 1255295214 /nfs/dbraw/zinc/29/52/14/1255295214.db2.gz IRTQWPPKMJAMFJ-BZUAXINKSA-N 2 2 361.442 0.084 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)cc1 ZINC001078206242 1255318818 /nfs/dbraw/zinc/31/88/18/1255318818.db2.gz UYVZWYWQZDUJQX-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)cc1 ZINC001078206242 1255318822 /nfs/dbraw/zinc/31/88/22/1255318822.db2.gz UYVZWYWQZDUJQX-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)cc1 ZINC001078206242 1255318829 /nfs/dbraw/zinc/31/88/29/1255318829.db2.gz UYVZWYWQZDUJQX-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](CC)CCO3)C2)cc1 ZINC001078206242 1255318838 /nfs/dbraw/zinc/31/88/38/1255318838.db2.gz UYVZWYWQZDUJQX-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)cc1 ZINC001078206243 1255319093 /nfs/dbraw/zinc/31/90/93/1255319093.db2.gz UYVZWYWQZDUJQX-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)cc1 ZINC001078206243 1255319100 /nfs/dbraw/zinc/31/91/00/1255319100.db2.gz UYVZWYWQZDUJQX-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)cc1 ZINC001078206243 1255319108 /nfs/dbraw/zinc/31/91/08/1255319108.db2.gz UYVZWYWQZDUJQX-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)cc1 ZINC001078206243 1255319118 /nfs/dbraw/zinc/31/91/18/1255319118.db2.gz UYVZWYWQZDUJQX-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209951 1255324354 /nfs/dbraw/zinc/32/43/54/1255324354.db2.gz OKWMFAVAJJPBIU-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209951 1255324360 /nfs/dbraw/zinc/32/43/60/1255324360.db2.gz OKWMFAVAJJPBIU-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209951 1255324365 /nfs/dbraw/zinc/32/43/65/1255324365.db2.gz OKWMFAVAJJPBIU-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209951 1255324370 /nfs/dbraw/zinc/32/43/70/1255324370.db2.gz OKWMFAVAJJPBIU-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCO2)cn1 ZINC001078413754 1255410469 /nfs/dbraw/zinc/41/04/69/1255410469.db2.gz XXBDWECFDZHAPT-BZUAXINKSA-N 2 2 358.446 0.654 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079181594 1255467394 /nfs/dbraw/zinc/46/73/94/1255467394.db2.gz XSXUVSFQVUICSZ-LSDHHAIUSA-N 2 2 359.405 0.551 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001079200884 1255470663 /nfs/dbraw/zinc/47/06/63/1255470663.db2.gz KHCVMTJKLZOBGE-YESZJQIVSA-N 2 2 371.416 0.564 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079272326 1255497341 /nfs/dbraw/zinc/49/73/41/1255497341.db2.gz ISRYGOIHTWLSHK-DLBZAZTESA-N 2 2 362.474 0.284 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001079950113 1255676987 /nfs/dbraw/zinc/67/69/87/1255676987.db2.gz BBDYJLVXFVJDMM-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001079950113 1255676992 /nfs/dbraw/zinc/67/69/92/1255676992.db2.gz BBDYJLVXFVJDMM-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001079950113 1255676996 /nfs/dbraw/zinc/67/69/96/1255676996.db2.gz BBDYJLVXFVJDMM-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001079950113 1255677005 /nfs/dbraw/zinc/67/70/05/1255677005.db2.gz BBDYJLVXFVJDMM-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107046 1255745888 /nfs/dbraw/zinc/74/58/88/1255745888.db2.gz MEWDKZYANOKOBY-DVOMOZLQSA-N 2 2 356.430 0.452 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107046 1255745891 /nfs/dbraw/zinc/74/58/91/1255745891.db2.gz MEWDKZYANOKOBY-DVOMOZLQSA-N 2 2 356.430 0.452 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107301 1255748558 /nfs/dbraw/zinc/74/85/58/1255748558.db2.gz YWBATNNGKCMOIB-CKEIUWERSA-N 2 2 370.457 0.794 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107301 1255748565 /nfs/dbraw/zinc/74/85/65/1255748565.db2.gz YWBATNNGKCMOIB-CKEIUWERSA-N 2 2 370.457 0.794 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144764 1255759510 /nfs/dbraw/zinc/75/95/10/1255759510.db2.gz REXQOGANGZEXPF-FRFSOERESA-N 2 2 359.474 0.429 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144764 1255759515 /nfs/dbraw/zinc/75/95/15/1255759515.db2.gz REXQOGANGZEXPF-FRFSOERESA-N 2 2 359.474 0.429 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164559 1255767245 /nfs/dbraw/zinc/76/72/45/1255767245.db2.gz HMOHQLMWFVDFRZ-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164559 1255767248 /nfs/dbraw/zinc/76/72/48/1255767248.db2.gz HMOHQLMWFVDFRZ-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164559 1255767252 /nfs/dbraw/zinc/76/72/52/1255767252.db2.gz HMOHQLMWFVDFRZ-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164559 1255767256 /nfs/dbraw/zinc/76/72/56/1255767256.db2.gz HMOHQLMWFVDFRZ-JISMVTRBSA-N 2 2 360.458 0.783 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449787 1255894494 /nfs/dbraw/zinc/89/44/94/1255894494.db2.gz ZIMCKPOUQVXIDR-MUKKUYKPSA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449787 1255894501 /nfs/dbraw/zinc/89/45/01/1255894501.db2.gz ZIMCKPOUQVXIDR-MUKKUYKPSA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080449787 1255894506 /nfs/dbraw/zinc/89/45/06/1255894506.db2.gz ZIMCKPOUQVXIDR-MUKKUYKPSA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080449787 1255894513 /nfs/dbraw/zinc/89/45/13/1255894513.db2.gz ZIMCKPOUQVXIDR-MUKKUYKPSA-N 2 2 368.497 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080573408 1255936674 /nfs/dbraw/zinc/93/66/74/1255936674.db2.gz JKAOMLPMVYRPFA-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080573202 1255937720 /nfs/dbraw/zinc/93/77/20/1255937720.db2.gz BLUWLHUPOIGMKW-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080573202 1255937727 /nfs/dbraw/zinc/93/77/27/1255937727.db2.gz BLUWLHUPOIGMKW-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001081037881 1256157251 /nfs/dbraw/zinc/15/72/51/1256157251.db2.gz DEMLOEIKXRWEFM-RHSMWYFYSA-N 2 2 355.442 0.879 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001081037881 1256157266 /nfs/dbraw/zinc/15/72/66/1256157266.db2.gz DEMLOEIKXRWEFM-RHSMWYFYSA-N 2 2 355.442 0.879 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1 ZINC001081135272 1256189972 /nfs/dbraw/zinc/18/99/72/1256189972.db2.gz OBCNNFNVZZUERC-IXDOHACOSA-N 2 2 367.453 0.515 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1)C(N)=O ZINC001081213492 1256208038 /nfs/dbraw/zinc/20/80/38/1256208038.db2.gz AIEAXLOAUBABOL-RCCFBDPRSA-N 2 2 369.469 0.811 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081234206 1256214518 /nfs/dbraw/zinc/21/45/18/1256214518.db2.gz ZMXYENPUAVWLJR-GVDBMIGSSA-N 2 2 353.426 0.356 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481310 1256271772 /nfs/dbraw/zinc/27/17/72/1256271772.db2.gz DHVHDAFUMBYNMW-GUDVDZBRSA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481310 1256271777 /nfs/dbraw/zinc/27/17/77/1256271777.db2.gz DHVHDAFUMBYNMW-GUDVDZBRSA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481310 1256271780 /nfs/dbraw/zinc/27/17/80/1256271780.db2.gz DHVHDAFUMBYNMW-GUDVDZBRSA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481310 1256271783 /nfs/dbraw/zinc/27/17/83/1256271783.db2.gz DHVHDAFUMBYNMW-GUDVDZBRSA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081662074 1256324509 /nfs/dbraw/zinc/32/45/09/1256324509.db2.gz MFTIGIHDYRJRKC-OWCLPIDISA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081662074 1256324514 /nfs/dbraw/zinc/32/45/14/1256324514.db2.gz MFTIGIHDYRJRKC-OWCLPIDISA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001081667310 1256327653 /nfs/dbraw/zinc/32/76/53/1256327653.db2.gz VTNCUSDGIBUZHF-IAGOWNOFSA-N 2 2 368.441 0.968 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001081667310 1256327656 /nfs/dbraw/zinc/32/76/56/1256327656.db2.gz VTNCUSDGIBUZHF-IAGOWNOFSA-N 2 2 368.441 0.968 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081676054 1256332229 /nfs/dbraw/zinc/33/22/29/1256332229.db2.gz RVBAZIANIHONKA-KBAYOESNSA-N 2 2 362.474 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081676054 1256332234 /nfs/dbraw/zinc/33/22/34/1256332234.db2.gz RVBAZIANIHONKA-KBAYOESNSA-N 2 2 362.474 0.894 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796147 1256373622 /nfs/dbraw/zinc/37/36/22/1256373622.db2.gz GOHVVLXPUYHJOM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796147 1256373628 /nfs/dbraw/zinc/37/36/28/1256373628.db2.gz GOHVVLXPUYHJOM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081796147 1256373638 /nfs/dbraw/zinc/37/36/38/1256373638.db2.gz GOHVVLXPUYHJOM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796147 1256373646 /nfs/dbraw/zinc/37/36/46/1256373646.db2.gz GOHVVLXPUYHJOM-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848082 1256409607 /nfs/dbraw/zinc/40/96/07/1256409607.db2.gz LGSGAAIKABWTFY-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848082 1256409611 /nfs/dbraw/zinc/40/96/11/1256409611.db2.gz LGSGAAIKABWTFY-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848082 1256409613 /nfs/dbraw/zinc/40/96/13/1256409613.db2.gz LGSGAAIKABWTFY-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848082 1256409615 /nfs/dbraw/zinc/40/96/15/1256409615.db2.gz LGSGAAIKABWTFY-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001081867494 1256419186 /nfs/dbraw/zinc/41/91/86/1256419186.db2.gz VSQMRFQFSGSXBY-DJIMGWMZSA-N 2 2 358.446 0.158 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001081867494 1256419189 /nfs/dbraw/zinc/41/91/89/1256419189.db2.gz VSQMRFQFSGSXBY-DJIMGWMZSA-N 2 2 358.446 0.158 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880100 1256427354 /nfs/dbraw/zinc/42/73/54/1256427354.db2.gz KAVNFIUSTBVHTD-BZUAXINKSA-N 2 2 359.430 0.336 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880100 1256427357 /nfs/dbraw/zinc/42/73/57/1256427357.db2.gz KAVNFIUSTBVHTD-BZUAXINKSA-N 2 2 359.430 0.336 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899677 1256443075 /nfs/dbraw/zinc/44/30/75/1256443075.db2.gz DLMJADXBMWUSRA-APHBMKBZSA-N 2 2 359.430 0.240 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899677 1256443078 /nfs/dbraw/zinc/44/30/78/1256443078.db2.gz DLMJADXBMWUSRA-APHBMKBZSA-N 2 2 359.430 0.240 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949173 1256468455 /nfs/dbraw/zinc/46/84/55/1256468455.db2.gz BJDFKQGKOSAEAG-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949173 1256468459 /nfs/dbraw/zinc/46/84/59/1256468459.db2.gz BJDFKQGKOSAEAG-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949335 1256468590 /nfs/dbraw/zinc/46/85/90/1256468590.db2.gz KLPDWMIVHOUCIS-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949335 1256468591 /nfs/dbraw/zinc/46/85/91/1256468591.db2.gz KLPDWMIVHOUCIS-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977496 1256480016 /nfs/dbraw/zinc/48/00/16/1256480016.db2.gz GTPNMCKJXZTRCP-WCXIOVBPSA-N 2 2 373.469 0.041 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977496 1256480019 /nfs/dbraw/zinc/48/00/19/1256480019.db2.gz GTPNMCKJXZTRCP-WCXIOVBPSA-N 2 2 373.469 0.041 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082020031 1256499989 /nfs/dbraw/zinc/49/99/89/1256499989.db2.gz ZLQGUFOFJPMZED-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082020031 1256499994 /nfs/dbraw/zinc/49/99/94/1256499994.db2.gz ZLQGUFOFJPMZED-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133930 1256550229 /nfs/dbraw/zinc/55/02/29/1256550229.db2.gz VEICPJCXYFCTTM-KBRIMQKVSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133930 1256550233 /nfs/dbraw/zinc/55/02/33/1256550233.db2.gz VEICPJCXYFCTTM-KBRIMQKVSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133930 1256550234 /nfs/dbraw/zinc/55/02/34/1256550234.db2.gz VEICPJCXYFCTTM-KBRIMQKVSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133930 1256550235 /nfs/dbraw/zinc/55/02/35/1256550235.db2.gz VEICPJCXYFCTTM-KBRIMQKVSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149578 1256564357 /nfs/dbraw/zinc/56/43/57/1256564357.db2.gz AZJMUAQYJFBDEB-YFHUEUNASA-N 2 2 362.474 0.908 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149578 1256564362 /nfs/dbraw/zinc/56/43/62/1256564362.db2.gz AZJMUAQYJFBDEB-YFHUEUNASA-N 2 2 362.474 0.908 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001082198956 1256585944 /nfs/dbraw/zinc/58/59/44/1256585944.db2.gz UCFRZHFJPXYTES-FGTMMUONSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001082198956 1256585946 /nfs/dbraw/zinc/58/59/46/1256585946.db2.gz UCFRZHFJPXYTES-FGTMMUONSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291399 1256635962 /nfs/dbraw/zinc/63/59/62/1256635962.db2.gz PWHJXSMNUVDEPR-IXDOHACOSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291399 1256635968 /nfs/dbraw/zinc/63/59/68/1256635968.db2.gz PWHJXSMNUVDEPR-IXDOHACOSA-N 2 2 366.506 0.201 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317890 1256656033 /nfs/dbraw/zinc/65/60/33/1256656033.db2.gz MOYBHIBJSVLKID-IXDOHACOSA-N 2 2 366.506 0.188 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317890 1256656040 /nfs/dbraw/zinc/65/60/40/1256656040.db2.gz MOYBHIBJSVLKID-IXDOHACOSA-N 2 2 366.506 0.188 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323114 1256661919 /nfs/dbraw/zinc/66/19/19/1256661919.db2.gz DLGWCEVDXDUUAX-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323114 1256661924 /nfs/dbraw/zinc/66/19/24/1256661924.db2.gz DLGWCEVDXDUUAX-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)n1 ZINC001082328244 1256670262 /nfs/dbraw/zinc/67/02/62/1256670262.db2.gz KISUZADGUICAJO-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)n1 ZINC001082328244 1256670269 /nfs/dbraw/zinc/67/02/69/1256670269.db2.gz KISUZADGUICAJO-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370233 1256719657 /nfs/dbraw/zinc/71/96/57/1256719657.db2.gz YJPGUNAPKMDAOJ-FGTMMUONSA-N 2 2 365.449 0.770 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370233 1256719662 /nfs/dbraw/zinc/71/96/62/1256719662.db2.gz YJPGUNAPKMDAOJ-FGTMMUONSA-N 2 2 365.449 0.770 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)ccn1 ZINC001082371355 1256721231 /nfs/dbraw/zinc/72/12/31/1256721231.db2.gz DVPXZBNLSKPLLE-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)ccn1 ZINC001082371355 1256721235 /nfs/dbraw/zinc/72/12/35/1256721235.db2.gz DVPXZBNLSKPLLE-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384237 1256734373 /nfs/dbraw/zinc/73/43/73/1256734373.db2.gz KZWUUVJKQUFPHD-IAOVAPTHSA-N 2 2 362.474 0.312 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384237 1256734377 /nfs/dbraw/zinc/73/43/77/1256734377.db2.gz KZWUUVJKQUFPHD-IAOVAPTHSA-N 2 2 362.474 0.312 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384467 1256735845 /nfs/dbraw/zinc/73/58/45/1256735845.db2.gz XZVXGVYRMZGJHK-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384467 1256735851 /nfs/dbraw/zinc/73/58/51/1256735851.db2.gz XZVXGVYRMZGJHK-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384468 1256736319 /nfs/dbraw/zinc/73/63/19/1256736319.db2.gz XZVXGVYRMZGJHK-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384468 1256736322 /nfs/dbraw/zinc/73/63/22/1256736322.db2.gz XZVXGVYRMZGJHK-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395069 1256743961 /nfs/dbraw/zinc/74/39/61/1256743961.db2.gz TVMWCMALTXHYSO-RCCFBDPRSA-N 2 2 358.442 0.302 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395069 1256743971 /nfs/dbraw/zinc/74/39/71/1256743971.db2.gz TVMWCMALTXHYSO-RCCFBDPRSA-N 2 2 358.442 0.302 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC001082457967 1256770046 /nfs/dbraw/zinc/77/00/46/1256770046.db2.gz QNKTVHPLQRFHMS-QBIMZIAESA-N 2 2 362.474 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC001082457967 1256770049 /nfs/dbraw/zinc/77/00/49/1256770049.db2.gz QNKTVHPLQRFHMS-QBIMZIAESA-N 2 2 362.474 0.821 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515305 1256799118 /nfs/dbraw/zinc/79/91/18/1256799118.db2.gz IHAQXEKZHVGESJ-VHDGCEQUSA-N 2 2 363.462 0.494 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001082522576 1256805521 /nfs/dbraw/zinc/80/55/21/1256805521.db2.gz QBLIWSKGDIPHQG-LXTVHRRPSA-N 2 2 365.478 0.883 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001082522576 1256805532 /nfs/dbraw/zinc/80/55/32/1256805532.db2.gz QBLIWSKGDIPHQG-LXTVHRRPSA-N 2 2 365.478 0.883 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082595048 1256908416 /nfs/dbraw/zinc/90/84/16/1256908416.db2.gz UDRHZQXGEIDJBM-MLGOLLRUSA-N 2 2 356.430 0.638 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082600934 1256911760 /nfs/dbraw/zinc/91/17/60/1256911760.db2.gz DXDJIFKBVJEROT-UWWQBHOKSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082603078 1256913995 /nfs/dbraw/zinc/91/39/95/1256913995.db2.gz IHVGYGFIEDUGEI-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082604427 1256915552 /nfs/dbraw/zinc/91/55/52/1256915552.db2.gz PDTLSXXLZJIIOO-QGPMSJSTSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082604594 1256915946 /nfs/dbraw/zinc/91/59/46/1256915946.db2.gz UVGYKPDPHGQOLU-QGPMSJSTSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082604408 1256915990 /nfs/dbraw/zinc/91/59/90/1256915990.db2.gz OEPHFMCGHMVZJK-HYVNUMGLSA-N 2 2 356.474 0.858 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001082609244 1256921050 /nfs/dbraw/zinc/92/10/50/1256921050.db2.gz YTHYQTFOJCRXSM-IUODEOHRSA-N 2 2 361.450 0.598 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082640645 1256945596 /nfs/dbraw/zinc/94/55/96/1256945596.db2.gz LSRGHHIYKJWKPN-HUUCEWRRSA-N 2 2 371.441 0.243 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082658607 1256961778 /nfs/dbraw/zinc/96/17/78/1256961778.db2.gz NFVFSQVRKKDURF-BZUAXINKSA-N 2 2 361.490 0.706 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001082664149 1256966017 /nfs/dbraw/zinc/96/60/17/1256966017.db2.gz XXGUYFZXDZAHDN-DJIMGWMZSA-N 2 2 364.494 0.253 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001082664149 1256966022 /nfs/dbraw/zinc/96/60/22/1256966022.db2.gz XXGUYFZXDZAHDN-DJIMGWMZSA-N 2 2 364.494 0.253 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)nn1 ZINC001082703338 1256994030 /nfs/dbraw/zinc/99/40/30/1256994030.db2.gz MNYUGOBKLBHGIH-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)nn1 ZINC001082703338 1256994033 /nfs/dbraw/zinc/99/40/33/1256994033.db2.gz MNYUGOBKLBHGIH-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082702923 1256995203 /nfs/dbraw/zinc/99/52/03/1256995203.db2.gz OZANRUUBJTYVHY-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082702923 1256995205 /nfs/dbraw/zinc/99/52/05/1256995205.db2.gz OZANRUUBJTYVHY-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C)n1 ZINC001082751595 1257031268 /nfs/dbraw/zinc/03/12/68/1257031268.db2.gz OFINYFPAWYWAND-DTZQCDIJSA-N 2 2 370.457 0.959 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)n1cc[nH+]c1 ZINC001082771485 1257041154 /nfs/dbraw/zinc/04/11/54/1257041154.db2.gz CCPJKGICVXBLAL-RBSFLKMASA-N 2 2 361.446 0.420 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119828 1266084848 /nfs/dbraw/zinc/08/48/48/1266084848.db2.gz QSROKOBGSOTXLE-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119828 1266084858 /nfs/dbraw/zinc/08/48/58/1266084858.db2.gz QSROKOBGSOTXLE-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001521119828 1266084865 /nfs/dbraw/zinc/08/48/65/1266084865.db2.gz QSROKOBGSOTXLE-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001521119828 1266084872 /nfs/dbraw/zinc/08/48/72/1266084872.db2.gz QSROKOBGSOTXLE-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082826919 1257083679 /nfs/dbraw/zinc/08/36/79/1257083679.db2.gz QZWGHPAYSXFWJO-CXAGYDPISA-N 2 2 366.429 0.646 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001082851964 1257104148 /nfs/dbraw/zinc/10/41/48/1257104148.db2.gz LUQKWXBNRKHGTK-OAGGEKHMSA-N 2 2 363.510 0.801 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001082851964 1257104150 /nfs/dbraw/zinc/10/41/50/1257104150.db2.gz LUQKWXBNRKHGTK-OAGGEKHMSA-N 2 2 363.510 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001082861262 1257112125 /nfs/dbraw/zinc/11/21/25/1257112125.db2.gz SDZNHOZQLXJCET-FVQBIDKESA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C)c1nnnn1C ZINC001082864524 1257114755 /nfs/dbraw/zinc/11/47/55/1257114755.db2.gz RFTNNEXNAHBGCP-YRGRVCCFSA-N 2 2 358.450 0.482 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)nn1 ZINC001082923359 1257147083 /nfs/dbraw/zinc/14/70/83/1257147083.db2.gz GEIBEBFZVMVLCL-HLLBOEOZSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082957970 1257167827 /nfs/dbraw/zinc/16/78/27/1257167827.db2.gz NITQLXLHWKYUAJ-IUODEOHRSA-N 2 2 356.430 0.893 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082957976 1257168085 /nfs/dbraw/zinc/16/80/85/1257168085.db2.gz OELUDFGFDPSNPD-UKRRQHHQSA-N 2 2 357.462 0.916 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)o1 ZINC001083084017 1257283997 /nfs/dbraw/zinc/28/39/97/1257283997.db2.gz VZBOWBAMIPQLMQ-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)o1 ZINC001083084017 1257284000 /nfs/dbraw/zinc/28/40/00/1257284000.db2.gz VZBOWBAMIPQLMQ-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC001330830206 1266105767 /nfs/dbraw/zinc/10/57/67/1266105767.db2.gz CYPDYLVBTNQXNR-JZXOWHBKSA-N 2 2 374.485 0.466 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]21)[NH+](C)C ZINC001083119933 1257352342 /nfs/dbraw/zinc/35/23/42/1257352342.db2.gz RARKUYKXUVOAEO-IXDOHACOSA-N 2 2 364.494 0.147 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]21)[NH+](C)C ZINC001083119933 1257352347 /nfs/dbraw/zinc/35/23/47/1257352347.db2.gz RARKUYKXUVOAEO-IXDOHACOSA-N 2 2 364.494 0.147 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@H]3C2)C1=O ZINC001083121495 1257353706 /nfs/dbraw/zinc/35/37/06/1257353706.db2.gz OGYNKSPREZMJJT-YESZJQIVSA-N 2 2 369.425 0.319 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@H]3C2)C1=O ZINC001083121495 1257353713 /nfs/dbraw/zinc/35/37/13/1257353713.db2.gz OGYNKSPREZMJJT-YESZJQIVSA-N 2 2 369.425 0.319 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1)OC ZINC001083126935 1257366123 /nfs/dbraw/zinc/36/61/23/1257366123.db2.gz QQCKUEXIEVMJMD-RRQGHBQHSA-N 2 2 366.462 0.686 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1)OC ZINC001083126935 1257366131 /nfs/dbraw/zinc/36/61/31/1257366131.db2.gz QQCKUEXIEVMJMD-RRQGHBQHSA-N 2 2 366.462 0.686 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083139997 1257389114 /nfs/dbraw/zinc/38/91/14/1257389114.db2.gz GGSYVNNGYIPOCP-DLBZAZTESA-N 2 2 357.414 0.175 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083139997 1257389122 /nfs/dbraw/zinc/38/91/22/1257389122.db2.gz GGSYVNNGYIPOCP-DLBZAZTESA-N 2 2 357.414 0.175 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885260 1266111109 /nfs/dbraw/zinc/11/11/09/1266111109.db2.gz GDOCAMBQWBKKPQ-ROUUACIJSA-N 2 2 358.486 0.932 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885260 1266111114 /nfs/dbraw/zinc/11/11/14/1266111114.db2.gz GDOCAMBQWBKKPQ-ROUUACIJSA-N 2 2 358.486 0.932 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083143984 1257397063 /nfs/dbraw/zinc/39/70/63/1257397063.db2.gz KRHGKNFIJPRFLW-DLBZAZTESA-N 2 2 358.446 0.079 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083143984 1257397073 /nfs/dbraw/zinc/39/70/73/1257397073.db2.gz KRHGKNFIJPRFLW-DLBZAZTESA-N 2 2 358.446 0.079 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083144232 1257399956 /nfs/dbraw/zinc/39/99/56/1257399956.db2.gz VTLCDEBOVACKBF-IPMKNSEASA-N 2 2 370.453 0.837 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083144232 1257399963 /nfs/dbraw/zinc/39/99/63/1257399963.db2.gz VTLCDEBOVACKBF-IPMKNSEASA-N 2 2 370.453 0.837 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001083151577 1257407371 /nfs/dbraw/zinc/40/73/71/1257407371.db2.gz GMFNNQLPNTYQPQ-IXDOHACOSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001083151577 1257407373 /nfs/dbraw/zinc/40/73/73/1257407373.db2.gz GMFNNQLPNTYQPQ-IXDOHACOSA-N 2 2 362.474 0.833 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168802 1257428918 /nfs/dbraw/zinc/42/89/18/1257428918.db2.gz NFEVYYOFQWFPDE-OKZBNKHCSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168802 1257428921 /nfs/dbraw/zinc/42/89/21/1257428921.db2.gz NFEVYYOFQWFPDE-OKZBNKHCSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083168802 1257428922 /nfs/dbraw/zinc/42/89/22/1257428922.db2.gz NFEVYYOFQWFPDE-OKZBNKHCSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001083168802 1257428924 /nfs/dbraw/zinc/42/89/24/1257428924.db2.gz NFEVYYOFQWFPDE-OKZBNKHCSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182657 1257443282 /nfs/dbraw/zinc/44/32/82/1257443282.db2.gz QIQVNYCTMHZDHM-ZWKOTPCHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182657 1257443284 /nfs/dbraw/zinc/44/32/84/1257443284.db2.gz QIQVNYCTMHZDHM-ZWKOTPCHSA-N 2 2 361.490 0.482 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083645344 1257463380 /nfs/dbraw/zinc/46/33/80/1257463380.db2.gz XCZJLAUZSFOEIL-SJORKVTESA-N 2 2 355.398 0.860 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083645344 1257463385 /nfs/dbraw/zinc/46/33/85/1257463385.db2.gz XCZJLAUZSFOEIL-SJORKVTESA-N 2 2 355.398 0.860 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@@H]1O)C2 ZINC001083780664 1257524282 /nfs/dbraw/zinc/52/42/82/1257524282.db2.gz GBEZLQHZQVHOHR-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@@H]1O)C2 ZINC001083780664 1257524286 /nfs/dbraw/zinc/52/42/86/1257524286.db2.gz GBEZLQHZQVHOHR-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831254 1257583442 /nfs/dbraw/zinc/58/34/42/1257583442.db2.gz CZGQGKMVOLDSIC-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001083831254 1257583447 /nfs/dbraw/zinc/58/34/47/1257583447.db2.gz CZGQGKMVOLDSIC-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887981 1257661745 /nfs/dbraw/zinc/66/17/45/1257661745.db2.gz UXQOOZROMKRENM-MSOLQXFVSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887981 1257661749 /nfs/dbraw/zinc/66/17/49/1257661749.db2.gz UXQOOZROMKRENM-MSOLQXFVSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083954139 1257742143 /nfs/dbraw/zinc/74/21/43/1257742143.db2.gz MTQBSBWLENFMFS-MOPGFXCFSA-N 2 2 356.470 0.929 20 0 FCADLP CCc1ccc(CC[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083954139 1257742150 /nfs/dbraw/zinc/74/21/50/1257742150.db2.gz MTQBSBWLENFMFS-MOPGFXCFSA-N 2 2 356.470 0.929 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083954237 1257742407 /nfs/dbraw/zinc/74/24/07/1257742407.db2.gz QQGGOJUWJOLUJM-MOPGFXCFSA-N 2 2 354.454 0.813 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083954237 1257742413 /nfs/dbraw/zinc/74/24/13/1257742413.db2.gz QQGGOJUWJOLUJM-MOPGFXCFSA-N 2 2 354.454 0.813 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083954977 1257744883 /nfs/dbraw/zinc/74/48/83/1257744883.db2.gz RCBSKNDNYFBNMP-SJORKVTESA-N 2 2 362.405 0.342 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083954977 1257744888 /nfs/dbraw/zinc/74/48/88/1257744888.db2.gz RCBSKNDNYFBNMP-SJORKVTESA-N 2 2 362.405 0.342 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961211 1257751954 /nfs/dbraw/zinc/75/19/54/1257751954.db2.gz IHXVIOBCVFQCBX-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961211 1257751957 /nfs/dbraw/zinc/75/19/57/1257751957.db2.gz IHXVIOBCVFQCBX-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001083998056 1257784800 /nfs/dbraw/zinc/78/48/00/1257784800.db2.gz SLCXQSFSOYAQFN-SQNIBIBYSA-N 2 2 358.442 0.810 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001083998056 1257784809 /nfs/dbraw/zinc/78/48/09/1257784809.db2.gz SLCXQSFSOYAQFN-SQNIBIBYSA-N 2 2 358.442 0.810 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056786 1257867485 /nfs/dbraw/zinc/86/74/85/1257867485.db2.gz NOMMHKUMOPFDFG-UHOSZYNNSA-N 2 2 369.469 0.485 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056786 1257867494 /nfs/dbraw/zinc/86/74/94/1257867494.db2.gz NOMMHKUMOPFDFG-UHOSZYNNSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056786 1257867503 /nfs/dbraw/zinc/86/75/03/1257867503.db2.gz NOMMHKUMOPFDFG-UHOSZYNNSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056786 1257867512 /nfs/dbraw/zinc/86/75/12/1257867512.db2.gz NOMMHKUMOPFDFG-UHOSZYNNSA-N 2 2 369.469 0.485 20 0 FCADLP CCc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058279 1257870004 /nfs/dbraw/zinc/87/00/04/1257870004.db2.gz SMMHZTSERXHSFZ-MOPGFXCFSA-N 2 2 361.486 0.885 20 0 FCADLP CCc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058279 1257870009 /nfs/dbraw/zinc/87/00/09/1257870009.db2.gz SMMHZTSERXHSFZ-MOPGFXCFSA-N 2 2 361.486 0.885 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078070 1257904214 /nfs/dbraw/zinc/90/42/14/1257904214.db2.gz MFZKXSOFMHCHOQ-FGTMMUONSA-N 2 2 365.449 0.538 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078070 1257904217 /nfs/dbraw/zinc/90/42/17/1257904217.db2.gz MFZKXSOFMHCHOQ-FGTMMUONSA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078070 1257904222 /nfs/dbraw/zinc/90/42/22/1257904222.db2.gz MFZKXSOFMHCHOQ-FGTMMUONSA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078070 1257904226 /nfs/dbraw/zinc/90/42/26/1257904226.db2.gz MFZKXSOFMHCHOQ-FGTMMUONSA-N 2 2 365.449 0.538 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087433 1257912516 /nfs/dbraw/zinc/91/25/16/1257912516.db2.gz MNNTVCFTWFLTKJ-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115739 1257933215 /nfs/dbraw/zinc/93/32/15/1257933215.db2.gz CFEKXIHFXJPRGR-SJORKVTESA-N 2 2 360.414 0.132 20 0 FCADLP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115739 1257933225 /nfs/dbraw/zinc/93/32/25/1257933225.db2.gz CFEKXIHFXJPRGR-SJORKVTESA-N 2 2 360.414 0.132 20 0 FCADLP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465987 1258121083 /nfs/dbraw/zinc/12/10/83/1258121083.db2.gz ZZZRYMITBISWKH-JFIYKMOQSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465987 1258121085 /nfs/dbraw/zinc/12/10/85/1258121085.db2.gz ZZZRYMITBISWKH-JFIYKMOQSA-N 2 2 368.485 0.954 20 0 FCADLP Cc1c(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)ccc2c[nH+]cn21 ZINC001084472433 1258123960 /nfs/dbraw/zinc/12/39/60/1258123960.db2.gz IHYSXCRHHVRFGD-XOKHGSTOSA-N 2 2 353.426 0.678 20 0 FCADLP Cc1c(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)ccc2c[nH+]cn21 ZINC001084472433 1258123963 /nfs/dbraw/zinc/12/39/63/1258123963.db2.gz IHYSXCRHHVRFGD-XOKHGSTOSA-N 2 2 353.426 0.678 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084488249 1258132248 /nfs/dbraw/zinc/13/22/48/1258132248.db2.gz SBTFXOAEJLXMHQ-DJIMGWMZSA-N 2 2 353.426 0.759 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084488249 1258132253 /nfs/dbraw/zinc/13/22/53/1258132253.db2.gz SBTFXOAEJLXMHQ-DJIMGWMZSA-N 2 2 353.426 0.759 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084488144 1258132689 /nfs/dbraw/zinc/13/26/89/1258132689.db2.gz MMPPWLZNFYNVRK-NVXWUHKLSA-N 2 2 368.441 0.506 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084488144 1258132695 /nfs/dbraw/zinc/13/26/95/1258132695.db2.gz MMPPWLZNFYNVRK-NVXWUHKLSA-N 2 2 368.441 0.506 20 0 FCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001084521627 1258149329 /nfs/dbraw/zinc/14/93/29/1258149329.db2.gz NZGZOELRHHJCJG-KBRIMQKVSA-N 2 2 353.426 0.711 20 0 FCADLP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001084521627 1258149332 /nfs/dbraw/zinc/14/93/32/1258149332.db2.gz NZGZOELRHHJCJG-KBRIMQKVSA-N 2 2 353.426 0.711 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)N1CCC1 ZINC001084521999 1258149421 /nfs/dbraw/zinc/14/94/21/1258149421.db2.gz FQLIFTPNWFTYFB-RHSMWYFYSA-N 2 2 353.426 0.713 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)N1CCC1 ZINC001084521999 1258149423 /nfs/dbraw/zinc/14/94/23/1258149423.db2.gz FQLIFTPNWFTYFB-RHSMWYFYSA-N 2 2 353.426 0.713 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@H]2CC[N@@H+](CCCF)C[C@H]21 ZINC001084538914 1258159685 /nfs/dbraw/zinc/15/96/85/1258159685.db2.gz WTXHHOIIJKFPLG-TVFCKZIOSA-N 2 2 369.481 0.759 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@H]2CC[N@H+](CCCF)C[C@H]21 ZINC001084538914 1258159688 /nfs/dbraw/zinc/15/96/88/1258159688.db2.gz WTXHHOIIJKFPLG-TVFCKZIOSA-N 2 2 369.481 0.759 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)n1 ZINC001084560512 1258169350 /nfs/dbraw/zinc/16/93/50/1258169350.db2.gz VROGGGSBJNWWNN-IAGOWNOFSA-N 2 2 357.462 0.714 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)n1 ZINC001084560512 1258169352 /nfs/dbraw/zinc/16/93/52/1258169352.db2.gz VROGGGSBJNWWNN-IAGOWNOFSA-N 2 2 357.462 0.714 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001084613531 1258200357 /nfs/dbraw/zinc/20/03/57/1258200357.db2.gz LBQAWIAAXDCSTN-BFYDXBDKSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001084613531 1258200363 /nfs/dbraw/zinc/20/03/63/1258200363.db2.gz LBQAWIAAXDCSTN-BFYDXBDKSA-N 2 2 359.474 0.375 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084653696 1258216358 /nfs/dbraw/zinc/21/63/58/1258216358.db2.gz RTODTKNCJVCTBC-IJEWVQPXSA-N 2 2 355.446 0.654 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084653696 1258216363 /nfs/dbraw/zinc/21/63/63/1258216363.db2.gz RTODTKNCJVCTBC-IJEWVQPXSA-N 2 2 355.446 0.654 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001084691449 1258244541 /nfs/dbraw/zinc/24/45/41/1258244541.db2.gz QCYKTGBDOYSCEX-ARFHVFGLSA-N 2 2 360.462 0.392 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001084691449 1258244546 /nfs/dbraw/zinc/24/45/46/1258244546.db2.gz QCYKTGBDOYSCEX-ARFHVFGLSA-N 2 2 360.462 0.392 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722254 1258267448 /nfs/dbraw/zinc/26/74/48/1258267448.db2.gz GIBBVVCACKWTGX-SJLPKXTDSA-N 2 2 361.490 0.484 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722254 1258267450 /nfs/dbraw/zinc/26/74/50/1258267450.db2.gz GIBBVVCACKWTGX-SJLPKXTDSA-N 2 2 361.490 0.484 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722275 1258267810 /nfs/dbraw/zinc/26/78/10/1258267810.db2.gz HHBWCHDJDKKBTP-CRAIPNDOSA-N 2 2 362.474 0.992 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722275 1258267815 /nfs/dbraw/zinc/26/78/15/1258267815.db2.gz HHBWCHDJDKKBTP-CRAIPNDOSA-N 2 2 362.474 0.992 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001084751995 1258290270 /nfs/dbraw/zinc/29/02/70/1258290270.db2.gz NHOKQFPIVLJCMS-SJLPKXTDSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4C)C[C@H]32)CC1 ZINC001084751995 1258290273 /nfs/dbraw/zinc/29/02/73/1258290273.db2.gz NHOKQFPIVLJCMS-SJLPKXTDSA-N 2 2 360.506 0.968 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084775369 1258315236 /nfs/dbraw/zinc/31/52/36/1258315236.db2.gz CUFUNJQQSOWFCF-SJLPKXTDSA-N 2 2 367.453 0.794 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001084775369 1258315239 /nfs/dbraw/zinc/31/52/39/1258315239.db2.gz CUFUNJQQSOWFCF-SJLPKXTDSA-N 2 2 367.453 0.794 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084773698 1258316953 /nfs/dbraw/zinc/31/69/53/1258316953.db2.gz YXAWGPFWSJVGDR-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084773698 1258316959 /nfs/dbraw/zinc/31/69/59/1258316959.db2.gz YXAWGPFWSJVGDR-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001084773698 1258316969 /nfs/dbraw/zinc/31/69/69/1258316969.db2.gz YXAWGPFWSJVGDR-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001084773698 1258316973 /nfs/dbraw/zinc/31/69/73/1258316973.db2.gz YXAWGPFWSJVGDR-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(C)n1 ZINC001084777538 1258317277 /nfs/dbraw/zinc/31/72/77/1258317277.db2.gz BYJCGYYCGMDGLG-NVXWUHKLSA-N 2 2 371.485 0.922 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(C)n1 ZINC001084777538 1258317284 /nfs/dbraw/zinc/31/72/84/1258317284.db2.gz BYJCGYYCGMDGLG-NVXWUHKLSA-N 2 2 371.485 0.922 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775491 1258319286 /nfs/dbraw/zinc/31/92/86/1258319286.db2.gz IODZZYBSYUCZBC-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775491 1258319292 /nfs/dbraw/zinc/31/92/92/1258319292.db2.gz IODZZYBSYUCZBC-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775491 1258319301 /nfs/dbraw/zinc/31/93/01/1258319301.db2.gz IODZZYBSYUCZBC-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775491 1258319310 /nfs/dbraw/zinc/31/93/10/1258319310.db2.gz IODZZYBSYUCZBC-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)nn1 ZINC001084777944 1258320558 /nfs/dbraw/zinc/32/05/58/1258320558.db2.gz YAUBXFKWEUWTLD-GDBMZVCRSA-N 2 2 357.458 0.614 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)nn1 ZINC001084777944 1258320568 /nfs/dbraw/zinc/32/05/68/1258320568.db2.gz YAUBXFKWEUWTLD-GDBMZVCRSA-N 2 2 357.458 0.614 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH+]ccc4N(C)C)[C@@H]3C2)C1=O ZINC001084779893 1258321579 /nfs/dbraw/zinc/32/15/79/1258321579.db2.gz FSAYXDJEAFVDGC-ZTFGCOKTSA-N 2 2 371.485 0.915 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4c[nH+]ccc4N(C)C)[C@@H]3C2)C1=O ZINC001084779893 1258321586 /nfs/dbraw/zinc/32/15/86/1258321586.db2.gz FSAYXDJEAFVDGC-ZTFGCOKTSA-N 2 2 371.485 0.915 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001084866025 1258408217 /nfs/dbraw/zinc/40/82/17/1258408217.db2.gz QJDTZRSNSQLJJD-IAGOWNOFSA-N 2 2 353.426 0.715 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001084866025 1258408222 /nfs/dbraw/zinc/40/82/22/1258408222.db2.gz QJDTZRSNSQLJJD-IAGOWNOFSA-N 2 2 353.426 0.715 20 0 FCADLP NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001084866486 1258409598 /nfs/dbraw/zinc/40/95/98/1258409598.db2.gz SHBWJNGBNKKDHT-IAGOWNOFSA-N 2 2 353.426 0.715 20 0 FCADLP NC(=O)c1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001084866486 1258409604 /nfs/dbraw/zinc/40/96/04/1258409604.db2.gz SHBWJNGBNKKDHT-IAGOWNOFSA-N 2 2 353.426 0.715 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]32)ncn1 ZINC001084910780 1258433982 /nfs/dbraw/zinc/43/39/82/1258433982.db2.gz BQUHPKHXUFWOBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]32)ncn1 ZINC001084910780 1258433987 /nfs/dbraw/zinc/43/39/87/1258433987.db2.gz BQUHPKHXUFWOBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)ncn1 ZINC001084910780 1258433991 /nfs/dbraw/zinc/43/39/91/1258433991.db2.gz BQUHPKHXUFWOBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)ncn1 ZINC001084910780 1258433995 /nfs/dbraw/zinc/43/39/95/1258433995.db2.gz BQUHPKHXUFWOBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941707 1258454386 /nfs/dbraw/zinc/45/43/86/1258454386.db2.gz YNEZXNMVIWLPPP-IKGGRYGDSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941707 1258454391 /nfs/dbraw/zinc/45/43/91/1258454391.db2.gz YNEZXNMVIWLPPP-IKGGRYGDSA-N 2 2 358.490 0.580 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975517 1258488258 /nfs/dbraw/zinc/48/82/58/1258488258.db2.gz IFGJLOBVFSFEIG-IKGGRYGDSA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975517 1258488261 /nfs/dbraw/zinc/48/82/61/1258488261.db2.gz IFGJLOBVFSFEIG-IKGGRYGDSA-N 2 2 369.473 0.660 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21)N1CCCC1 ZINC001085001705 1258509894 /nfs/dbraw/zinc/50/98/94/1258509894.db2.gz YGZDDRVNBWPFOC-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21)N1CCCC1 ZINC001085001705 1258509895 /nfs/dbraw/zinc/50/98/95/1258509895.db2.gz YGZDDRVNBWPFOC-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)Nc4ccon4)[C@H]3C2)C1 ZINC001085093209 1258587608 /nfs/dbraw/zinc/58/76/08/1258587608.db2.gz MSPCKVFMOICMFY-KFWWJZLASA-N 2 2 361.446 0.488 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)Nc4ccon4)[C@H]3C2)C1 ZINC001085093209 1258587609 /nfs/dbraw/zinc/58/76/09/1258587609.db2.gz MSPCKVFMOICMFY-KFWWJZLASA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)Nc4ccon4)[C@H]3C2)C1 ZINC001085093209 1258587615 /nfs/dbraw/zinc/58/76/15/1258587615.db2.gz MSPCKVFMOICMFY-KFWWJZLASA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)Nc4ccon4)[C@H]3C2)C1 ZINC001085093209 1258587618 /nfs/dbraw/zinc/58/76/18/1258587618.db2.gz MSPCKVFMOICMFY-KFWWJZLASA-N 2 2 361.446 0.488 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001085094229 1258590149 /nfs/dbraw/zinc/59/01/49/1258590149.db2.gz JBAOOGFUBQACCI-UXLLHSPISA-N 2 2 363.462 0.461 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001085094229 1258590152 /nfs/dbraw/zinc/59/01/52/1258590152.db2.gz JBAOOGFUBQACCI-UXLLHSPISA-N 2 2 363.462 0.461 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098147 1258592277 /nfs/dbraw/zinc/59/22/77/1258592277.db2.gz ALBALYQXPJUZDJ-NJAFHUGGSA-N 2 2 361.490 0.564 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098147 1258592281 /nfs/dbraw/zinc/59/22/81/1258592281.db2.gz ALBALYQXPJUZDJ-NJAFHUGGSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098147 1258592285 /nfs/dbraw/zinc/59/22/85/1258592285.db2.gz ALBALYQXPJUZDJ-NJAFHUGGSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098147 1258592290 /nfs/dbraw/zinc/59/22/90/1258592290.db2.gz ALBALYQXPJUZDJ-NJAFHUGGSA-N 2 2 361.490 0.564 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088170855 1258688845 /nfs/dbraw/zinc/68/88/45/1258688845.db2.gz LBHNQYHIPFGTNW-CABCVRRESA-N 2 2 359.474 0.700 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088170855 1258688854 /nfs/dbraw/zinc/68/88/54/1258688854.db2.gz LBHNQYHIPFGTNW-CABCVRRESA-N 2 2 359.474 0.700 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170677 1258690962 /nfs/dbraw/zinc/69/09/62/1258690962.db2.gz ASXVDPWYNSBMQS-KFWWJZLASA-N 2 2 359.474 0.410 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170677 1258690971 /nfs/dbraw/zinc/69/09/71/1258690971.db2.gz ASXVDPWYNSBMQS-KFWWJZLASA-N 2 2 359.474 0.410 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088170119 1258691015 /nfs/dbraw/zinc/69/10/15/1258691015.db2.gz FSBHSXUMDULRFK-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088170119 1258691024 /nfs/dbraw/zinc/69/10/24/1258691024.db2.gz FSBHSXUMDULRFK-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088170119 1258691030 /nfs/dbraw/zinc/69/10/30/1258691030.db2.gz FSBHSXUMDULRFK-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088170119 1258691036 /nfs/dbraw/zinc/69/10/36/1258691036.db2.gz FSBHSXUMDULRFK-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088173182 1258692758 /nfs/dbraw/zinc/69/27/58/1258692758.db2.gz VZJDXMPVBOHPMD-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088173182 1258692768 /nfs/dbraw/zinc/69/27/68/1258692768.db2.gz VZJDXMPVBOHPMD-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088202221 1258723754 /nfs/dbraw/zinc/72/37/54/1258723754.db2.gz PWFWCHWJWCZSSO-BMFZPTHFSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088202221 1258723759 /nfs/dbraw/zinc/72/37/59/1258723759.db2.gz PWFWCHWJWCZSSO-BMFZPTHFSA-N 2 2 357.462 0.862 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208384 1258732727 /nfs/dbraw/zinc/73/27/27/1258732727.db2.gz XHDDZROWLZTLIM-IXDOHACOSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208384 1258732735 /nfs/dbraw/zinc/73/27/35/1258732735.db2.gz XHDDZROWLZTLIM-IXDOHACOSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208384 1258732742 /nfs/dbraw/zinc/73/27/42/1258732742.db2.gz XHDDZROWLZTLIM-IXDOHACOSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208384 1258732746 /nfs/dbraw/zinc/73/27/46/1258732746.db2.gz XHDDZROWLZTLIM-IXDOHACOSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208371 1258732850 /nfs/dbraw/zinc/73/28/50/1258732850.db2.gz WSJFMDPHCWKBLG-IKGGRYGDSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208371 1258732857 /nfs/dbraw/zinc/73/28/57/1258732857.db2.gz WSJFMDPHCWKBLG-IKGGRYGDSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208371 1258732863 /nfs/dbraw/zinc/73/28/63/1258732863.db2.gz WSJFMDPHCWKBLG-IKGGRYGDSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208371 1258732867 /nfs/dbraw/zinc/73/28/67/1258732867.db2.gz WSJFMDPHCWKBLG-IKGGRYGDSA-N 2 2 362.474 0.984 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734823 1258821989 /nfs/dbraw/zinc/82/19/89/1258821989.db2.gz JSNOWDPXQBDEQH-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734823 1258821995 /nfs/dbraw/zinc/82/19/95/1258821995.db2.gz JSNOWDPXQBDEQH-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734823 1258822002 /nfs/dbraw/zinc/82/20/02/1258822002.db2.gz JSNOWDPXQBDEQH-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734823 1258822011 /nfs/dbraw/zinc/82/20/11/1258822011.db2.gz JSNOWDPXQBDEQH-RBSFLKMASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092748001 1258825634 /nfs/dbraw/zinc/82/56/34/1258825634.db2.gz MBMNHYRVYCOGMW-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092748001 1258825637 /nfs/dbraw/zinc/82/56/37/1258825637.db2.gz MBMNHYRVYCOGMW-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001100524469 1258912775 /nfs/dbraw/zinc/91/27/75/1258912775.db2.gz AWFLYRGPMHNSAW-HIEASXQVSA-N 2 2 369.506 0.387 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106474872 1258924320 /nfs/dbraw/zinc/92/43/20/1258924320.db2.gz WFFMPCIITWABDK-KZNAEPCWSA-N 2 2 371.522 0.180 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106474872 1258924325 /nfs/dbraw/zinc/92/43/25/1258924325.db2.gz WFFMPCIITWABDK-KZNAEPCWSA-N 2 2 371.522 0.180 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678446 1258940589 /nfs/dbraw/zinc/94/05/89/1258940589.db2.gz NUUPHCWGPPKLBY-KLHDSHLOSA-N 2 2 361.490 0.732 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)no1 ZINC001106704989 1258943525 /nfs/dbraw/zinc/94/35/25/1258943525.db2.gz MAVSYPXLPATBTE-DGCLKSJQSA-N 2 2 360.418 0.571 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001106705234 1258943953 /nfs/dbraw/zinc/94/39/53/1258943953.db2.gz XYGXVEXVDXNXAK-HZPDHXFCSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106748037 1258953587 /nfs/dbraw/zinc/95/35/87/1258953587.db2.gz GDVYFCUZUCXKCJ-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106748037 1258953592 /nfs/dbraw/zinc/95/35/92/1258953592.db2.gz GDVYFCUZUCXKCJ-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)no1 ZINC001106799885 1258965738 /nfs/dbraw/zinc/96/57/38/1258965738.db2.gz VSUJJBIQRPLJKQ-DGCLKSJQSA-N 2 2 360.418 0.571 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2 ZINC001107590738 1259127989 /nfs/dbraw/zinc/12/79/89/1259127989.db2.gz HJXBUJSYKKGZFQ-DNVCBOLYSA-N 2 2 359.474 0.935 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCCC1=O)CC2 ZINC001107590738 1259127993 /nfs/dbraw/zinc/12/79/93/1259127993.db2.gz HJXBUJSYKKGZFQ-DNVCBOLYSA-N 2 2 359.474 0.935 20 0 FCADLP CC(C)COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108025113 1259152293 /nfs/dbraw/zinc/15/22/93/1259152293.db2.gz UISXHYTYYVTXHP-LMMKCTJWSA-N 2 2 371.522 0.585 20 0 FCADLP CC(C)COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108025113 1259152294 /nfs/dbraw/zinc/15/22/94/1259152294.db2.gz UISXHYTYYVTXHP-LMMKCTJWSA-N 2 2 371.522 0.585 20 0 FCADLP CC(C)COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108025113 1259152297 /nfs/dbraw/zinc/15/22/97/1259152297.db2.gz UISXHYTYYVTXHP-LMMKCTJWSA-N 2 2 371.522 0.585 20 0 FCADLP CC(C)COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108025113 1259152300 /nfs/dbraw/zinc/15/23/00/1259152300.db2.gz UISXHYTYYVTXHP-LMMKCTJWSA-N 2 2 371.522 0.585 20 0 FCADLP CC(C)OCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546570 1259157815 /nfs/dbraw/zinc/15/78/15/1259157815.db2.gz YLOJFQWVEBOXCM-HLLBOEOZSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)OCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546570 1259157822 /nfs/dbraw/zinc/15/78/22/1259157822.db2.gz YLOJFQWVEBOXCM-HLLBOEOZSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)OCCCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001117841434 1259169496 /nfs/dbraw/zinc/16/94/96/1259169496.db2.gz MFPLVONVQATTBI-UHFFFAOYSA-N 2 2 370.538 0.744 20 0 FCADLP CC(C)OCCCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001117841434 1259169499 /nfs/dbraw/zinc/16/94/99/1259169499.db2.gz MFPLVONVQATTBI-UHFFFAOYSA-N 2 2 370.538 0.744 20 0 FCADLP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)n1 ZINC001127547115 1259178766 /nfs/dbraw/zinc/17/87/66/1259178766.db2.gz BFCMFKKLZROSMR-GDBMZVCRSA-N 2 2 370.457 0.859 20 0 FCADLP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1=O ZINC001127547270 1259179182 /nfs/dbraw/zinc/17/91/82/1259179182.db2.gz HFVYKWTYPKLRKO-OAGGEKHMSA-N 2 2 359.474 0.481 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001127547537 1259179347 /nfs/dbraw/zinc/17/93/47/1259179347.db2.gz MYJQHUGWXKTJCR-GDBMZVCRSA-N 2 2 359.474 0.386 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547769 1259179377 /nfs/dbraw/zinc/17/93/77/1259179377.db2.gz SZIMIGQVEPHABB-BZUAXINKSA-N 2 2 361.490 0.774 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129122178 1259320455 /nfs/dbraw/zinc/32/04/55/1259320455.db2.gz FZESTPWSRNRNOF-CVEARBPZSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129122178 1259320462 /nfs/dbraw/zinc/32/04/62/1259320462.db2.gz FZESTPWSRNRNOF-CVEARBPZSA-N 2 2 357.462 0.786 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129204346 1259345005 /nfs/dbraw/zinc/34/50/05/1259345005.db2.gz DCAPKJDQMJTHII-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129204346 1259345014 /nfs/dbraw/zinc/34/50/14/1259345014.db2.gz DCAPKJDQMJTHII-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228382 1259348738 /nfs/dbraw/zinc/34/87/38/1259348738.db2.gz PXXLGDBYTWUFDU-IMJJTQAJSA-N 2 2 358.450 0.123 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228382 1259348743 /nfs/dbraw/zinc/34/87/43/1259348743.db2.gz PXXLGDBYTWUFDU-IMJJTQAJSA-N 2 2 358.450 0.123 20 0 FCADLP CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276277 1259360408 /nfs/dbraw/zinc/36/04/08/1259360408.db2.gz DKVIRNYPBDAVQK-MSOLQXFVSA-N 2 2 356.474 0.814 20 0 FCADLP CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276277 1259360414 /nfs/dbraw/zinc/36/04/14/1259360414.db2.gz DKVIRNYPBDAVQK-MSOLQXFVSA-N 2 2 356.474 0.814 20 0 FCADLP CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276277 1259360417 /nfs/dbraw/zinc/36/04/17/1259360417.db2.gz DKVIRNYPBDAVQK-MSOLQXFVSA-N 2 2 356.474 0.814 20 0 FCADLP CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129276277 1259360424 /nfs/dbraw/zinc/36/04/24/1259360424.db2.gz DKVIRNYPBDAVQK-MSOLQXFVSA-N 2 2 356.474 0.814 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130249344 1259375790 /nfs/dbraw/zinc/37/57/90/1259375790.db2.gz YUJIWCXSRZJDCZ-KBPBESRZSA-N 2 2 368.457 0.338 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130249344 1259375795 /nfs/dbraw/zinc/37/57/95/1259375795.db2.gz YUJIWCXSRZJDCZ-KBPBESRZSA-N 2 2 368.457 0.338 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130249332 1259376193 /nfs/dbraw/zinc/37/61/93/1259376193.db2.gz YIDOZKMMTQNSCZ-STQMWFEESA-N 2 2 365.413 0.058 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130249332 1259376197 /nfs/dbraw/zinc/37/61/97/1259376197.db2.gz YIDOZKMMTQNSCZ-STQMWFEESA-N 2 2 365.413 0.058 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001200730180 1259419970 /nfs/dbraw/zinc/41/99/70/1259419970.db2.gz RITLHMKDXNPZSU-RRFJBIMHSA-N 2 2 359.434 0.012 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001200730180 1259419973 /nfs/dbraw/zinc/41/99/73/1259419973.db2.gz RITLHMKDXNPZSU-RRFJBIMHSA-N 2 2 359.434 0.012 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707278 1259427097 /nfs/dbraw/zinc/42/70/97/1259427097.db2.gz JVVHQYOMLMENPV-DLBZAZTESA-N 2 2 355.442 0.293 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212289879 1259455124 /nfs/dbraw/zinc/45/51/24/1259455124.db2.gz QYHONMKCLJHISG-BZUAXINKSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212289879 1259455129 /nfs/dbraw/zinc/45/51/29/1259455129.db2.gz QYHONMKCLJHISG-BZUAXINKSA-N 2 2 366.506 0.058 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304391 1259457955 /nfs/dbraw/zinc/45/79/55/1259457955.db2.gz WTJKXURIXRXNCM-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304391 1259457962 /nfs/dbraw/zinc/45/79/62/1259457962.db2.gz WTJKXURIXRXNCM-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304391 1259457969 /nfs/dbraw/zinc/45/79/69/1259457969.db2.gz WTJKXURIXRXNCM-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304391 1259457971 /nfs/dbraw/zinc/45/79/71/1259457971.db2.gz WTJKXURIXRXNCM-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212353171 1259471148 /nfs/dbraw/zinc/47/11/48/1259471148.db2.gz KJNUHQFTDVAIGM-DJIMGWMZSA-N 2 2 367.469 0.780 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212353171 1259471153 /nfs/dbraw/zinc/47/11/53/1259471153.db2.gz KJNUHQFTDVAIGM-DJIMGWMZSA-N 2 2 367.469 0.780 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367929 1259477589 /nfs/dbraw/zinc/47/75/89/1259477589.db2.gz AXRARGYJNAZHEJ-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367929 1259477594 /nfs/dbraw/zinc/47/75/94/1259477594.db2.gz AXRARGYJNAZHEJ-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367929 1259477597 /nfs/dbraw/zinc/47/75/97/1259477597.db2.gz AXRARGYJNAZHEJ-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367929 1259477602 /nfs/dbraw/zinc/47/76/02/1259477602.db2.gz AXRARGYJNAZHEJ-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001212403036 1259489459 /nfs/dbraw/zinc/48/94/59/1259489459.db2.gz AFWKYVBMTPWOTL-BRWVUGGUSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001212403036 1259489465 /nfs/dbraw/zinc/48/94/65/1259489465.db2.gz AFWKYVBMTPWOTL-BRWVUGGUSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001212403036 1259489467 /nfs/dbraw/zinc/48/94/67/1259489467.db2.gz AFWKYVBMTPWOTL-BRWVUGGUSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001212403036 1259489474 /nfs/dbraw/zinc/48/94/74/1259489474.db2.gz AFWKYVBMTPWOTL-BRWVUGGUSA-N 2 2 368.522 0.589 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409735 1259493800 /nfs/dbraw/zinc/49/38/00/1259493800.db2.gz LCYOHHZSOYTGHK-DJIMGWMZSA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409735 1259493804 /nfs/dbraw/zinc/49/38/04/1259493804.db2.gz LCYOHHZSOYTGHK-DJIMGWMZSA-N 2 2 364.494 0.262 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419163 1259499335 /nfs/dbraw/zinc/49/93/35/1259499335.db2.gz VKZLLWIXRHLQGD-USXIJHARSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419163 1259499339 /nfs/dbraw/zinc/49/93/39/1259499339.db2.gz VKZLLWIXRHLQGD-USXIJHARSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212419163 1259499341 /nfs/dbraw/zinc/49/93/41/1259499341.db2.gz VKZLLWIXRHLQGD-USXIJHARSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212419163 1259499343 /nfs/dbraw/zinc/49/93/43/1259499343.db2.gz VKZLLWIXRHLQGD-USXIJHARSA-N 2 2 368.522 0.541 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1)C1CC1 ZINC001212483321 1259518995 /nfs/dbraw/zinc/51/89/95/1259518995.db2.gz GUCONGNUZFLYMD-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1)C1CC1 ZINC001212483321 1259519000 /nfs/dbraw/zinc/51/90/00/1259519000.db2.gz GUCONGNUZFLYMD-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1)C1CC1 ZINC001212483321 1259519005 /nfs/dbraw/zinc/51/90/05/1259519005.db2.gz GUCONGNUZFLYMD-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1)C1CC1 ZINC001212483321 1259519011 /nfs/dbraw/zinc/51/90/11/1259519011.db2.gz GUCONGNUZFLYMD-HZPDHXFCSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206129 1259569414 /nfs/dbraw/zinc/56/94/14/1259569414.db2.gz RSBWRKHQISQVDF-HUUCEWRRSA-N 3 2 371.476 0.951 20 0 FCADLP Cn1cc([C@@H]2CC(=O)N(C)C23CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC3)cn1 ZINC001235549867 1259577758 /nfs/dbraw/zinc/57/77/58/1259577758.db2.gz MAOBGYBVLGBBID-HOTGVXAUSA-N 2 2 361.490 0.925 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966353 1259593125 /nfs/dbraw/zinc/59/31/25/1259593125.db2.gz FPPYPIZRPNQNFO-SFHVURJKSA-N 2 2 364.465 0.867 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966353 1259593132 /nfs/dbraw/zinc/59/31/32/1259593132.db2.gz FPPYPIZRPNQNFO-SFHVURJKSA-N 2 2 364.465 0.867 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001237448174 1259596667 /nfs/dbraw/zinc/59/66/67/1259596667.db2.gz HVSXIRJPJQXOJV-UHFFFAOYSA-N 2 2 360.458 0.854 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnnn3[C@H](C)COC)CC2)CC1 ZINC001335353551 1259621998 /nfs/dbraw/zinc/62/19/98/1259621998.db2.gz VTZZJZZOZUSRPR-OAHLLOKOSA-N 2 2 351.499 0.877 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnnn3[C@H](C)COC)CC2)CC1 ZINC001335353551 1259622005 /nfs/dbraw/zinc/62/20/05/1259622005.db2.gz VTZZJZZOZUSRPR-OAHLLOKOSA-N 2 2 351.499 0.877 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnnn3[C@@H](C)COC)CC2)CC1 ZINC001335353550 1259622251 /nfs/dbraw/zinc/62/22/51/1259622251.db2.gz VTZZJZZOZUSRPR-HNNXBMFYSA-N 2 2 351.499 0.877 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnnn3[C@@H](C)COC)CC2)CC1 ZINC001335353550 1259622262 /nfs/dbraw/zinc/62/22/62/1259622262.db2.gz VTZZJZZOZUSRPR-HNNXBMFYSA-N 2 2 351.499 0.877 20 0 FCADLP COC(=O)[C@H]([NH3+])[C@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052914 1259647118 /nfs/dbraw/zinc/64/71/18/1259647118.db2.gz MKMSRHNVUWFSBC-KKBVYLPWSA-N 2 2 371.428 0.408 20 0 FCADLP NC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001246321805 1259652061 /nfs/dbraw/zinc/65/20/61/1259652061.db2.gz YLWVUSHKPCADRM-QGZVFWFLSA-N 3 2 357.502 0.190 20 0 FCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)C[C@H](C1)[NH2+]2 ZINC001246668262 1259660595 /nfs/dbraw/zinc/66/05/95/1259660595.db2.gz MYBSQZKCMRBTKO-NEJPUZRRSA-N 3 2 367.490 0.140 20 0 FCADLP COC(=O)C1C[C@@H]2CC([N@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)C[C@H](C1)[NH2+]2 ZINC001246668262 1259660605 /nfs/dbraw/zinc/66/06/05/1259660605.db2.gz MYBSQZKCMRBTKO-NEJPUZRRSA-N 3 2 367.490 0.140 20 0 FCADLP C[C@@H]1CC[C@@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C[NH2+]1 ZINC001246705812 1259663919 /nfs/dbraw/zinc/66/39/19/1259663919.db2.gz YSDMVBGMFWQFPO-HUUCEWRRSA-N 2 2 360.506 0.306 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H]1CCC[NH2+]C1)C2 ZINC001246730786 1259670467 /nfs/dbraw/zinc/67/04/67/1259670467.db2.gz NATMSIYLMBJSHS-DLBZAZTESA-N 2 2 363.506 0.420 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H]1CCC[NH2+]C1)C2 ZINC001246730797 1259671407 /nfs/dbraw/zinc/67/14/07/1259671407.db2.gz NATMSIYLMBJSHS-SJORKVTESA-N 2 2 363.506 0.420 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ccccn2)[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246742137 1259674637 /nfs/dbraw/zinc/67/46/37/1259674637.db2.gz ZNKDUFXNSMMFRI-XHSDSOJGSA-N 2 2 360.458 0.703 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)CC1 ZINC001246767338 1259686422 /nfs/dbraw/zinc/68/64/22/1259686422.db2.gz PQNQQXFWYMWBNP-SJPCQFCGSA-N 3 2 356.518 0.912 20 0 FCADLP CN1CCN(c2ncnc3c2CC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)CC1 ZINC001246767338 1259686434 /nfs/dbraw/zinc/68/64/34/1259686434.db2.gz PQNQQXFWYMWBNP-SJPCQFCGSA-N 2 2 356.518 0.912 20 0 FCADLP CN1CCN(c2ncnc3c2CC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)CC1 ZINC001246767338 1259686444 /nfs/dbraw/zinc/68/64/44/1259686444.db2.gz PQNQQXFWYMWBNP-SJPCQFCGSA-N 2 2 356.518 0.912 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001247332156 1259698588 /nfs/dbraw/zinc/69/85/88/1259698588.db2.gz JFPNRKMVLLUIPN-AWEZNQCLSA-N 2 2 366.381 0.775 20 0 FCADLP COc1cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)ccc1F ZINC001247334487 1259701816 /nfs/dbraw/zinc/70/18/16/1259701816.db2.gz SEJUMNSIIYWCPH-LBPRGKRZSA-N 2 2 360.349 0.794 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001335623015 1259747862 /nfs/dbraw/zinc/74/78/62/1259747862.db2.gz UYJDVLSUPXRDMG-CVEARBPZSA-N 2 2 354.495 0.555 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001335623260 1259748867 /nfs/dbraw/zinc/74/88/67/1259748867.db2.gz NCCRDJKGFYGUBI-HZPDHXFCSA-N 2 2 369.510 0.126 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001335623262 1259749025 /nfs/dbraw/zinc/74/90/25/1259749025.db2.gz NCCRDJKGFYGUBI-JKSUJKDBSA-N 2 2 369.510 0.126 20 0 FCADLP CC[NH+](CC)C[C@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001253176635 1259826118 /nfs/dbraw/zinc/82/61/18/1259826118.db2.gz LKEFYIRKQDNCRC-MRXNPFEDSA-N 3 2 366.510 0.014 20 0 FCADLP CC(C)(C)OC(=O)N1CCC(O)(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC001253304946 1259831582 /nfs/dbraw/zinc/83/15/82/1259831582.db2.gz NJLMTNYUDBZLHX-HNNXBMFYSA-N 2 2 368.478 0.986 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCc2nnc(COc3ccccn3)n2CC1 ZINC001253388556 1259838352 /nfs/dbraw/zinc/83/83/52/1259838352.db2.gz KXVQWCMBKUAEBS-OAHLLOKOSA-N 2 2 374.489 0.859 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2nnc(COc3ccccn3)n2CC1 ZINC001253388556 1259838355 /nfs/dbraw/zinc/83/83/55/1259838355.db2.gz KXVQWCMBKUAEBS-OAHLLOKOSA-N 2 2 374.489 0.859 20 0 FCADLP C[C@@](O)(C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1)C(=O)OCc1ccccc1 ZINC001253655870 1259847294 /nfs/dbraw/zinc/84/72/94/1259847294.db2.gz IFBPXJRFRJKUCJ-LJQANCHMSA-N 2 2 374.441 0.543 20 0 FCADLP C[C@@](O)(C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1)C(=O)OCc1ccccc1 ZINC001253655870 1259847297 /nfs/dbraw/zinc/84/72/97/1259847297.db2.gz IFBPXJRFRJKUCJ-LJQANCHMSA-N 2 2 374.441 0.543 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898369 /nfs/dbraw/zinc/89/83/69/1259898369.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898376 /nfs/dbraw/zinc/89/83/76/1259898376.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898388 /nfs/dbraw/zinc/89/83/88/1259898388.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898397 /nfs/dbraw/zinc/89/83/97/1259898397.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898407 /nfs/dbraw/zinc/89/84/07/1259898407.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN([C@@H]3CC4CC[NH+](CC4)C3)CC[C@@H]2C1 ZINC001254856645 1259898416 /nfs/dbraw/zinc/89/84/16/1259898416.db2.gz IODYXFLGWPJKNY-GUDVDZBRSA-N 2 2 364.534 0.582 20 0 FCADLP COC(=O)[C@H]1C[C@H](N2CC[NH+](CCC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001256256297 1259941092 /nfs/dbraw/zinc/94/10/92/1259941092.db2.gz MUSLJYGVLKKAOP-LSDHHAIUSA-N 2 2 370.494 0.504 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC001261489193 1260149094 /nfs/dbraw/zinc/14/90/94/1260149094.db2.gz NOXNBYVMHHRGHV-KRWDZBQOSA-N 2 2 358.442 0.967 20 0 FCADLP Cn1cc(C(=O)NCC2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cn1 ZINC001261492827 1260150002 /nfs/dbraw/zinc/15/00/02/1260150002.db2.gz VXFIEUFIPWZCGI-UHFFFAOYSA-N 2 2 361.450 0.639 20 0 FCADLP CC[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[NH2+]C1 ZINC001261493332 1260150029 /nfs/dbraw/zinc/15/00/29/1260150029.db2.gz VOFTYFUBNKYGFI-LJQANCHMSA-N 2 2 374.489 0.352 20 0 FCADLP CC[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]C1 ZINC001261493332 1260150033 /nfs/dbraw/zinc/15/00/33/1260150033.db2.gz VOFTYFUBNKYGFI-LJQANCHMSA-N 2 2 374.489 0.352 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001336803327 1260226900 /nfs/dbraw/zinc/22/69/00/1260226900.db2.gz ZARQJOKJCNLMGY-KVSKMBFKSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001336803327 1260226906 /nfs/dbraw/zinc/22/69/06/1260226906.db2.gz ZARQJOKJCNLMGY-KVSKMBFKSA-N 2 2 351.491 0.797 20 0 FCADLP Cc1cc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)nc(N2CCCC2)n1 ZINC001336877333 1260244222 /nfs/dbraw/zinc/24/42/22/1260244222.db2.gz TWFLQTVUBNWPQO-UHFFFAOYSA-N 2 2 361.494 0.608 20 0 FCADLP CCN(C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC001262061268 1260253748 /nfs/dbraw/zinc/25/37/48/1260253748.db2.gz WAFPJSHGRCODRL-QGZVFWFLSA-N 2 2 355.442 0.758 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1 ZINC001337042761 1260293000 /nfs/dbraw/zinc/29/30/00/1260293000.db2.gz QMTFTNQDSRKKHW-UHFFFAOYSA-N 2 2 359.474 0.425 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001264650288 1260392405 /nfs/dbraw/zinc/39/24/05/1260392405.db2.gz LGEHQWCQQOAEHX-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001264650288 1260392413 /nfs/dbraw/zinc/39/24/13/1260392413.db2.gz LGEHQWCQQOAEHX-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2CCN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)[C@@H]2C1 ZINC001271515571 1260430945 /nfs/dbraw/zinc/43/09/45/1260430945.db2.gz URDDOMABRMNXKB-MAUKXSAKSA-N 2 2 360.506 0.427 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2CCN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)[C@@H]2C1 ZINC001271515571 1260430951 /nfs/dbraw/zinc/43/09/51/1260430951.db2.gz URDDOMABRMNXKB-MAUKXSAKSA-N 2 2 360.506 0.427 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001271682483 1260446778 /nfs/dbraw/zinc/44/67/78/1260446778.db2.gz DZLAJVHXCUMDKT-MRXNPFEDSA-N 2 2 357.458 0.428 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001271683825 1260447663 /nfs/dbraw/zinc/44/76/63/1260447663.db2.gz SRRUTJZDZZEQLM-BBWFWOEESA-N 2 2 357.458 0.569 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(C(=O)C3([NH+](C)C)CC3)C[C@@]2(F)C1=O ZINC001272909438 1260527553 /nfs/dbraw/zinc/52/75/53/1260527553.db2.gz UXIQSVCCJIGBKD-IAGOWNOFSA-N 2 2 367.400 0.115 20 0 FCADLP Cc1[nH+]ccn1CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC001338072128 1260550184 /nfs/dbraw/zinc/55/01/84/1260550184.db2.gz BETAMPBBLRYPEM-MRXNPFEDSA-N 2 2 359.478 0.721 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001272992166 1260555615 /nfs/dbraw/zinc/55/56/15/1260555615.db2.gz HEYZXGFLTYSXQN-VQIMIIECSA-N 2 2 361.490 0.922 20 0 FCADLP CC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249407 1260635399 /nfs/dbraw/zinc/63/53/99/1260635399.db2.gz VCDFBLPDUQIILQ-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP CC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249407 1260635404 /nfs/dbraw/zinc/63/54/04/1260635404.db2.gz VCDFBLPDUQIILQ-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP CC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249407 1260635411 /nfs/dbraw/zinc/63/54/11/1260635411.db2.gz VCDFBLPDUQIILQ-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP CC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273249407 1260635415 /nfs/dbraw/zinc/63/54/15/1260635415.db2.gz VCDFBLPDUQIILQ-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001273254817 1260638520 /nfs/dbraw/zinc/63/85/20/1260638520.db2.gz MEQILOLHAAQCPB-SQNIBIBYSA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@H](CC(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001273254817 1260638529 /nfs/dbraw/zinc/63/85/29/1260638529.db2.gz MEQILOLHAAQCPB-SQNIBIBYSA-N 2 2 361.490 0.527 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)CCCC[N@H+]2CC1(O)CCOCC1 ZINC001277813764 1260671000 /nfs/dbraw/zinc/67/10/00/1260671000.db2.gz SGWGANWAMWFJAM-GOSISDBHSA-N 2 2 362.474 0.882 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)CCCC[N@@H+]2CC1(O)CCOCC1 ZINC001277813764 1260671010 /nfs/dbraw/zinc/67/10/10/1260671010.db2.gz SGWGANWAMWFJAM-GOSISDBHSA-N 2 2 362.474 0.882 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@@H+](Cc3cnn[nH]3)C[C@H]2CC1 ZINC001278500994 1260702129 /nfs/dbraw/zinc/70/21/29/1260702129.db2.gz TYVXSDYMNFFTKA-SOLBZPMBSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@H+](Cc3cnn[nH]3)C[C@H]2CC1 ZINC001278500994 1260702132 /nfs/dbraw/zinc/70/21/32/1260702132.db2.gz TYVXSDYMNFFTKA-SOLBZPMBSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@@H+](Cc3c[nH]nn3)C[C@H]2CC1 ZINC001278500994 1260702136 /nfs/dbraw/zinc/70/21/36/1260702136.db2.gz TYVXSDYMNFFTKA-SOLBZPMBSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@H+](Cc3c[nH]nn3)C[C@H]2CC1 ZINC001278500994 1260702141 /nfs/dbraw/zinc/70/21/41/1260702141.db2.gz TYVXSDYMNFFTKA-SOLBZPMBSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]2CC1 ZINC001278500994 1260702146 /nfs/dbraw/zinc/70/21/46/1260702146.db2.gz TYVXSDYMNFFTKA-SOLBZPMBSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]2CC1 ZINC001278500994 1260702149 /nfs/dbraw/zinc/70/21/49/1260702149.db2.gz TYVXSDYMNFFTKA-SOLBZPMBSA-N 2 2 358.490 0.959 20 0 FCADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2cn3c(n2)COCC3)c[nH+]1 ZINC001278798082 1260734448 /nfs/dbraw/zinc/73/44/48/1260734448.db2.gz VDTNYDCKOLCQOM-CALCHBBNSA-N 2 2 358.446 0.195 20 0 FCADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2cn3c(n2)COCC3)c[nH+]1 ZINC001278798082 1260734450 /nfs/dbraw/zinc/73/44/50/1260734450.db2.gz VDTNYDCKOLCQOM-CALCHBBNSA-N 2 2 358.446 0.195 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502004 1260881127 /nfs/dbraw/zinc/88/11/27/1260881127.db2.gz MALBWWVDFJDNJH-KFWWJZLASA-N 2 2 361.446 0.049 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502004 1260881129 /nfs/dbraw/zinc/88/11/29/1260881129.db2.gz MALBWWVDFJDNJH-KFWWJZLASA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502004 1260881139 /nfs/dbraw/zinc/88/11/39/1260881139.db2.gz MALBWWVDFJDNJH-KFWWJZLASA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502004 1260881144 /nfs/dbraw/zinc/88/11/44/1260881144.db2.gz MALBWWVDFJDNJH-KFWWJZLASA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2COCCC23C[NH+](Cc2cc[nH]n2)C3)CC1 ZINC001279914993 1260959017 /nfs/dbraw/zinc/95/90/17/1260959017.db2.gz CMKVEJQIWYERHA-QGZVFWFLSA-N 2 2 361.490 0.801 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NC2CC[NH+](C)CC2)[nH]n1 ZINC001279917783 1260961472 /nfs/dbraw/zinc/96/14/72/1260961472.db2.gz XUOLZLNIZMNIKX-QGZVFWFLSA-N 2 2 361.490 0.767 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280167535 1261018774 /nfs/dbraw/zinc/01/87/74/1261018774.db2.gz CULGTBCKJMUZDO-HOTGVXAUSA-N 2 2 363.462 0.043 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001280167535 1261018781 /nfs/dbraw/zinc/01/87/81/1261018781.db2.gz CULGTBCKJMUZDO-HOTGVXAUSA-N 2 2 363.462 0.043 20 0 FCADLP NC(=O)[C@H]1COCCC12C[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001280288243 1261047322 /nfs/dbraw/zinc/04/73/22/1261047322.db2.gz IRZGNNRWAPNNGK-GOSISDBHSA-N 2 2 359.470 0.843 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001281841675 1261225461 /nfs/dbraw/zinc/22/54/61/1261225461.db2.gz LDORWHUQRJDNGF-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001281841675 1261225464 /nfs/dbraw/zinc/22/54/64/1261225464.db2.gz LDORWHUQRJDNGF-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001281847312 1261229986 /nfs/dbraw/zinc/22/99/86/1261229986.db2.gz XZQRXUUIGNQPRE-BFYDXBDKSA-N 2 2 365.478 0.201 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[NH2+]1 ZINC001345481960 1261719242 /nfs/dbraw/zinc/71/92/42/1261719242.db2.gz IRMSROAEWIXQJF-JKSUJKDBSA-N 2 2 361.490 0.658 20 0 FCADLP CN(Cc1ccon1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345541284 1261734819 /nfs/dbraw/zinc/73/48/19/1261734819.db2.gz VTTHIXXFIDZYBZ-UHFFFAOYSA-N 2 2 363.462 0.308 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001284912561 1261795866 /nfs/dbraw/zinc/79/58/66/1261795866.db2.gz NSAHRYDSMZBTAT-RBSFLKMASA-N 2 2 365.453 0.531 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001285200708 1261819312 /nfs/dbraw/zinc/81/93/12/1261819312.db2.gz FPZQBOYIZGXFNG-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001285200708 1261819318 /nfs/dbraw/zinc/81/93/18/1261819318.db2.gz FPZQBOYIZGXFNG-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001285956583 1261897159 /nfs/dbraw/zinc/89/71/59/1261897159.db2.gz WRVJMKMVVVAYGI-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001285956583 1261897162 /nfs/dbraw/zinc/89/71/62/1261897162.db2.gz WRVJMKMVVVAYGI-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP CN(C(=O)NCc1nc2ncccn2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001478839793 1263147280 /nfs/dbraw/zinc/14/72/80/1263147280.db2.gz BWVJMWRLYBIIPH-OAHLLOKOSA-N 2 2 372.477 0.434 20 0 FCADLP CN(C(=O)NCc1nc2ncccn2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001478839793 1263147284 /nfs/dbraw/zinc/14/72/84/1263147284.db2.gz BWVJMWRLYBIIPH-OAHLLOKOSA-N 2 2 372.477 0.434 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479426133 1263195370 /nfs/dbraw/zinc/19/53/70/1263195370.db2.gz YNJBTIQMKLTVAR-SCTDSRPQSA-N 2 2 360.502 0.903 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479426133 1263195375 /nfs/dbraw/zinc/19/53/75/1263195375.db2.gz YNJBTIQMKLTVAR-SCTDSRPQSA-N 2 2 360.502 0.903 20 0 FCADLP C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001479567353 1263257598 /nfs/dbraw/zinc/25/75/98/1263257598.db2.gz KPABGQJLTSKFDF-KGLIPLIRSA-N 2 2 365.478 0.655 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001482596889 1263443814 /nfs/dbraw/zinc/44/38/14/1263443814.db2.gz DROBOMRWZVNRIU-HUUCEWRRSA-N 2 2 364.494 0.397 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n(C)n1 ZINC001482596889 1263443819 /nfs/dbraw/zinc/44/38/19/1263443819.db2.gz DROBOMRWZVNRIU-HUUCEWRRSA-N 2 2 364.494 0.397 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n(C)n1 ZINC001482596889 1263443825 /nfs/dbraw/zinc/44/38/25/1263443825.db2.gz DROBOMRWZVNRIU-HUUCEWRRSA-N 2 2 364.494 0.397 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n(C)n1 ZINC001482596889 1263443831 /nfs/dbraw/zinc/44/38/31/1263443831.db2.gz DROBOMRWZVNRIU-HUUCEWRRSA-N 2 2 364.494 0.397 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC2CC2)CCC1 ZINC001484653039 1263481957 /nfs/dbraw/zinc/48/19/57/1263481957.db2.gz JODFARBLOSQYPH-HUUCEWRRSA-N 2 2 359.474 0.678 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CC[N@@H+]1C ZINC001580385882 1278206897 /nfs/dbraw/zinc/20/68/97/1278206897.db2.gz XPVKETHUKNYGBY-GDBMZVCRSA-N 2 2 369.473 0.851 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CC[N@H+]1C ZINC001580385882 1278206900 /nfs/dbraw/zinc/20/69/00/1278206900.db2.gz XPVKETHUKNYGBY-GDBMZVCRSA-N 2 2 369.473 0.851 20 0 FCADLP CCn1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001319075337 1263648307 /nfs/dbraw/zinc/64/83/07/1263648307.db2.gz POEYLEZDGGRHNZ-UHFFFAOYSA-N 2 2 362.478 0.516 20 0 FCADLP CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574152 1263709999 /nfs/dbraw/zinc/70/99/99/1263709999.db2.gz XPDKDPFLRDKXKE-IRXDYDNUSA-N 2 2 365.522 0.665 20 0 FCADLP CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574152 1263710011 /nfs/dbraw/zinc/71/00/11/1263710011.db2.gz XPDKDPFLRDKXKE-IRXDYDNUSA-N 2 2 365.522 0.665 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001321676242 1264031081 /nfs/dbraw/zinc/03/10/81/1264031081.db2.gz UYRXTXUOJBIYHZ-BBWFWOEESA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001321676242 1264031090 /nfs/dbraw/zinc/03/10/90/1264031090.db2.gz UYRXTXUOJBIYHZ-BBWFWOEESA-N 2 2 373.501 0.944 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001321922252 1264100717 /nfs/dbraw/zinc/10/07/17/1264100717.db2.gz SWGAGCXJEJZGGH-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC001322499284 1264206889 /nfs/dbraw/zinc/20/68/89/1264206889.db2.gz IFBNRPYTIOTOAT-LSDHHAIUSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)C1CC1 ZINC001322499284 1264206896 /nfs/dbraw/zinc/20/68/96/1264206896.db2.gz IFBNRPYTIOTOAT-LSDHHAIUSA-N 2 2 361.490 0.800 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001322511238 1264209377 /nfs/dbraw/zinc/20/93/77/1264209377.db2.gz WXMYEHQLYYWVOH-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@]1(O)CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001322573712 1264220878 /nfs/dbraw/zinc/22/08/78/1264220878.db2.gz IMNGHHBDLQCNMS-LJQANCHMSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)CC[N@@H+]1C ZINC001506083873 1264289098 /nfs/dbraw/zinc/28/90/98/1264289098.db2.gz HSDJDGOHVJMJMY-MGPQQGTHSA-N 2 2 359.474 0.935 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)CC[N@H+]1C ZINC001506083873 1264289106 /nfs/dbraw/zinc/28/91/06/1264289106.db2.gz HSDJDGOHVJMJMY-MGPQQGTHSA-N 2 2 359.474 0.935 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322955901 1264300219 /nfs/dbraw/zinc/30/02/19/1264300219.db2.gz JFOKMEOTRSFXPR-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322955901 1264300228 /nfs/dbraw/zinc/30/02/28/1264300228.db2.gz JFOKMEOTRSFXPR-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506599740 1264331556 /nfs/dbraw/zinc/33/15/56/1264331556.db2.gz IBLPIBICFVHQNZ-CLCXKQKWSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506599740 1264331561 /nfs/dbraw/zinc/33/15/61/1264331561.db2.gz IBLPIBICFVHQNZ-CLCXKQKWSA-N 2 2 361.490 0.956 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H]3CCO)CC2)CC1 ZINC001325814333 1265001894 /nfs/dbraw/zinc/00/18/94/1265001894.db2.gz JUFCPAZWJYMMQD-QGZVFWFLSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1c[nH+]cn1C ZINC001580406082 1278239727 /nfs/dbraw/zinc/23/97/27/1278239727.db2.gz VLQNGNSKYPRQQB-LLVKDONJSA-N 2 2 374.474 0.889 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC3CCOCC3)C2)CC1 ZINC001326609585 1265142921 /nfs/dbraw/zinc/14/29/21/1265142921.db2.gz JCZMNOLPCOZLOQ-MRXNPFEDSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC3CCOCC3)C2)CC1 ZINC001326609585 1265142922 /nfs/dbraw/zinc/14/29/22/1265142922.db2.gz JCZMNOLPCOZLOQ-MRXNPFEDSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001327324030 1265285892 /nfs/dbraw/zinc/28/58/92/1265285892.db2.gz LWKYMAROOCNKEG-XMTFNYHQSA-N 2 2 367.538 0.550 20 0 FCADLP CC(CN1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001327498241 1265342277 /nfs/dbraw/zinc/34/22/77/1265342277.db2.gz FHWUFSWRGUYDOM-PMACEKPBSA-N 2 2 366.550 0.436 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)C2 ZINC001327560794 1265359191 /nfs/dbraw/zinc/35/91/91/1265359191.db2.gz ZFXIMJXRYXDVGZ-MRXNPFEDSA-N 2 2 362.474 0.440 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001333720149 1266689374 /nfs/dbraw/zinc/68/93/74/1266689374.db2.gz TXWPOPXKBWITQD-STQMWFEESA-N 2 2 354.476 0.606 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001333720149 1266689381 /nfs/dbraw/zinc/68/93/81/1266689381.db2.gz TXWPOPXKBWITQD-STQMWFEESA-N 2 2 354.476 0.606 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401697 1266966550 /nfs/dbraw/zinc/96/65/50/1266966550.db2.gz SYZJNKLJQGRROE-RDJZCZTQSA-N 2 2 357.462 0.034 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401697 1266966557 /nfs/dbraw/zinc/96/65/57/1266966557.db2.gz SYZJNKLJQGRROE-RDJZCZTQSA-N 2 2 357.462 0.034 20 0 FCADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cn(Cc4ncon4)nn3)CC2)CC1 ZINC001334900506 1267223924 /nfs/dbraw/zinc/22/39/24/1267223924.db2.gz WJWFAJBADUBFBZ-UHFFFAOYSA-N 2 2 374.493 0.559 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC001548940159 1267773675 /nfs/dbraw/zinc/77/36/75/1267773675.db2.gz RRPIBQDKANVVEB-CKEIUWERSA-N 2 2 368.478 0.726 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)C1 ZINC001548940159 1267773683 /nfs/dbraw/zinc/77/36/83/1267773683.db2.gz RRPIBQDKANVVEB-CKEIUWERSA-N 2 2 368.478 0.726 20 0 FCADLP CCNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC001549007081 1267787715 /nfs/dbraw/zinc/78/77/15/1267787715.db2.gz KLLUBERDTFLNQT-SFHVURJKSA-N 2 2 358.486 0.714 20 0 FCADLP CCNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC001549007081 1267787720 /nfs/dbraw/zinc/78/77/20/1267787720.db2.gz KLLUBERDTFLNQT-SFHVURJKSA-N 2 2 358.486 0.714 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549153065 1267831257 /nfs/dbraw/zinc/83/12/57/1267831257.db2.gz JJKXNRQORBNDQO-JLJPHGGASA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549153065 1267831263 /nfs/dbraw/zinc/83/12/63/1267831263.db2.gz JJKXNRQORBNDQO-JLJPHGGASA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153249 1267831412 /nfs/dbraw/zinc/83/14/12/1267831412.db2.gz LWSHZBOBLAWFPT-PBHICJAKSA-N 2 2 362.478 0.866 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153249 1267831419 /nfs/dbraw/zinc/83/14/19/1267831419.db2.gz LWSHZBOBLAWFPT-PBHICJAKSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001549161835 1267841566 /nfs/dbraw/zinc/84/15/66/1267841566.db2.gz LUVUJZJSUQKWNG-CJNGLKHVSA-N 2 2 362.478 0.913 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549163308 1267843950 /nfs/dbraw/zinc/84/39/50/1267843950.db2.gz VNXONTZVRKWNGI-GRDNDAEWSA-N 2 2 362.478 0.864 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549163308 1267843954 /nfs/dbraw/zinc/84/39/54/1267843954.db2.gz VNXONTZVRKWNGI-GRDNDAEWSA-N 2 2 362.478 0.864 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC001549176668 1267853221 /nfs/dbraw/zinc/85/32/21/1267853221.db2.gz RYQMWWTXYFXFHU-MAUKXSAKSA-N 2 2 370.457 0.740 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001338491299 1267958428 /nfs/dbraw/zinc/95/84/28/1267958428.db2.gz GXINNSBZZLFPHM-BJZITVGISA-N 2 2 364.490 0.609 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001338491299 1267958436 /nfs/dbraw/zinc/95/84/36/1267958436.db2.gz GXINNSBZZLFPHM-BJZITVGISA-N 2 2 364.490 0.609 20 0 FCADLP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001549745640 1267986743 /nfs/dbraw/zinc/98/67/43/1267986743.db2.gz NIVIRRZVBQFDRP-HUUCEWRRSA-N 2 2 356.430 0.833 20 0 FCADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550266055 1268100435 /nfs/dbraw/zinc/10/04/35/1268100435.db2.gz QVZLZJKRXOBLKC-IEBWSBKVSA-N 2 2 357.502 0.905 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550565870 1268134305 /nfs/dbraw/zinc/13/43/05/1268134305.db2.gz FZTNOYUJNQIGDG-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001550745670 1268160114 /nfs/dbraw/zinc/16/01/14/1268160114.db2.gz SQAQXMIUGZMZCS-FDQGKXFDSA-N 2 2 360.462 0.667 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC001550756231 1268162573 /nfs/dbraw/zinc/16/25/73/1268162573.db2.gz PODXFLZHMQKHRC-CVEARBPZSA-N 2 2 352.479 0.261 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@@H]1[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001551387259 1268230566 /nfs/dbraw/zinc/23/05/66/1268230566.db2.gz JAOROQLYJROFTR-QZTJIDSGSA-N 2 2 374.485 0.858 20 0 FCADLP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC001551541077 1268263735 /nfs/dbraw/zinc/26/37/35/1268263735.db2.gz LYVTVTSDJLLWHO-QEJZJMRPSA-N 2 2 362.396 0.645 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936294 1268313059 /nfs/dbraw/zinc/31/30/59/1268313059.db2.gz GLFILKLPUYEIGU-MGPQQGTHSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936294 1268313071 /nfs/dbraw/zinc/31/30/71/1268313071.db2.gz GLFILKLPUYEIGU-MGPQQGTHSA-N 2 2 362.478 0.642 20 0 FCADLP O=C(NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC001552078024 1268360950 /nfs/dbraw/zinc/36/09/50/1268360950.db2.gz IQANZJBBMWGAPQ-MCIONIFRSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC001552078024 1268360960 /nfs/dbraw/zinc/36/09/60/1268360960.db2.gz IQANZJBBMWGAPQ-MCIONIFRSA-N 2 2 356.467 0.948 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC001552093762 1268370368 /nfs/dbraw/zinc/37/03/68/1268370368.db2.gz FNMAGBTYJKLPLW-ARFHVFGLSA-N 2 2 354.495 0.384 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC001552093762 1268370375 /nfs/dbraw/zinc/37/03/75/1268370375.db2.gz FNMAGBTYJKLPLW-ARFHVFGLSA-N 2 2 354.495 0.384 20 0 FCADLP CO[C@H]1C[C@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552116053 1268380501 /nfs/dbraw/zinc/38/05/01/1268380501.db2.gz QIWZBFHVLSOTFZ-JKSUJKDBSA-N 2 2 365.478 0.955 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552168061 1268400894 /nfs/dbraw/zinc/40/08/94/1268400894.db2.gz XABGVWJPOMPJBX-HOTGVXAUSA-N 2 2 357.520 0.247 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)CC1 ZINC001552168773 1268401007 /nfs/dbraw/zinc/40/10/07/1268401007.db2.gz GHGUQJQXYLBRTQ-MRXNPFEDSA-N 3 2 361.494 0.101 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@@H]4COC[C@@H]43)C2)CC1 ZINC001552178542 1268403121 /nfs/dbraw/zinc/40/31/21/1268403121.db2.gz PTSMZYXDGXIOGA-BHYGNILZSA-N 2 2 366.506 0.743 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@@H]4COC[C@@H]43)C2)CC1 ZINC001552178542 1268403125 /nfs/dbraw/zinc/40/31/25/1268403125.db2.gz PTSMZYXDGXIOGA-BHYGNILZSA-N 2 2 366.506 0.743 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC001552276559 1268430871 /nfs/dbraw/zinc/43/08/71/1268430871.db2.gz ZPJDCCGGCHAPAK-VQTJNVASSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC001552276559 1268430877 /nfs/dbraw/zinc/43/08/77/1268430877.db2.gz ZPJDCCGGCHAPAK-VQTJNVASSA-N 2 2 359.470 0.950 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC001340129753 1268445001 /nfs/dbraw/zinc/44/50/01/1268445001.db2.gz BCQSLVSFBKWENK-HNNXBMFYSA-N 2 2 355.442 0.899 20 0 FCADLP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552430323 1268461045 /nfs/dbraw/zinc/46/10/45/1268461045.db2.gz CQJIUVOGZGWIFW-BFHYXJOUSA-N 2 2 350.467 0.430 20 0 FCADLP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552430327 1268461324 /nfs/dbraw/zinc/46/13/24/1268461324.db2.gz CQJIUVOGZGWIFW-MGPQQGTHSA-N 2 2 350.467 0.430 20 0 FCADLP Cc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435936 1268463272 /nfs/dbraw/zinc/46/32/72/1268463272.db2.gz OXOBZCCZUZCHPY-ZDUSSCGKSA-N 2 2 356.421 0.922 20 0 FCADLP Cc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435936 1268463274 /nfs/dbraw/zinc/46/32/74/1268463274.db2.gz OXOBZCCZUZCHPY-ZDUSSCGKSA-N 2 2 356.421 0.922 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580501642 1278411869 /nfs/dbraw/zinc/41/18/69/1278411869.db2.gz LNUXMHNULARSBV-GFCCVEGCSA-N 2 2 368.445 0.983 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001580500872 1278413362 /nfs/dbraw/zinc/41/33/62/1278413362.db2.gz HTUDTNLFWNLZKX-SECBINFHSA-N 2 2 360.447 0.797 20 0 FCADLP CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001340442867 1268548565 /nfs/dbraw/zinc/54/85/65/1268548565.db2.gz QMFDZRNXQQOKEC-MRXNPFEDSA-N 2 2 366.510 0.848 20 0 FCADLP CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001340442867 1268548573 /nfs/dbraw/zinc/54/85/73/1268548573.db2.gz QMFDZRNXQQOKEC-MRXNPFEDSA-N 2 2 366.510 0.848 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001340483775 1268564656 /nfs/dbraw/zinc/56/46/56/1268564656.db2.gz HYRVHFYMOFESBS-UYSNPLJNSA-N 2 2 353.463 0.241 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H]1CCn3cc[nH+]c3C1)[C@@H](O)C2 ZINC001553002116 1268576977 /nfs/dbraw/zinc/57/69/77/1268576977.db2.gz HRXWFUIQVYJRLI-JBFGMIDGSA-N 2 2 361.490 0.977 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@@H]1CCn3cc[nH+]c3C1)[C@@H](O)C2 ZINC001553002116 1268576981 /nfs/dbraw/zinc/57/69/81/1268576981.db2.gz HRXWFUIQVYJRLI-JBFGMIDGSA-N 2 2 361.490 0.977 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553136748 1268595867 /nfs/dbraw/zinc/59/58/67/1268595867.db2.gz VPUNIVFUESXFOZ-QZTJIDSGSA-N 2 2 351.491 0.857 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC([NH2+]C2CCC2)CC1 ZINC001553170638 1268603846 /nfs/dbraw/zinc/60/38/46/1268603846.db2.gz OLZGHJYJUSOLNA-ROUUACIJSA-N 2 2 351.491 0.999 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@H]2[NH3+])c1 ZINC001553467561 1268655535 /nfs/dbraw/zinc/65/55/35/1268655535.db2.gz RGFLIMUSFSIHIG-RRFJBIMHSA-N 2 2 355.446 0.530 20 0 FCADLP C[C@@H]1Cn2nc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2C[NH2+]1 ZINC001340951725 1268721758 /nfs/dbraw/zinc/72/17/58/1268721758.db2.gz JFORFJSQIZJGPO-CYBMUJFWSA-N 2 2 355.446 0.774 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccccc2-n2cc[nH+]c2)nn1 ZINC001554035705 1268745329 /nfs/dbraw/zinc/74/53/29/1268745329.db2.gz JYEWIUIYDAUQAU-GUYCJALGSA-N 2 2 367.413 0.804 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001341018406 1268746343 /nfs/dbraw/zinc/74/63/43/1268746343.db2.gz AKDZHEDXLVPQMD-GOSISDBHSA-N 2 2 359.474 0.193 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)on1 ZINC001341060014 1268766097 /nfs/dbraw/zinc/76/60/97/1268766097.db2.gz SLTKXJIMLCZXOT-UHFFFAOYSA-N 2 2 363.462 0.274 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCS(=O)(=O)N(C)C)CC2)CC1 ZINC001557073573 1268925515 /nfs/dbraw/zinc/92/55/15/1268925515.db2.gz UNERNSIXQOTCRD-UHFFFAOYSA-N 2 2 374.551 0.287 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCS(=O)(=O)N(C)C)CC2)CC1 ZINC001557073573 1268925520 /nfs/dbraw/zinc/92/55/20/1268925520.db2.gz UNERNSIXQOTCRD-UHFFFAOYSA-N 2 2 374.551 0.287 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001341418140 1268984771 /nfs/dbraw/zinc/98/47/71/1268984771.db2.gz POZJMYLHQPAOEQ-XDNAFOTISA-N 2 2 351.539 0.994 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2C)CC1 ZINC001341797517 1269213075 /nfs/dbraw/zinc/21/30/75/1269213075.db2.gz PAYJLEGYRCPJPY-INIZCTEOSA-N 2 2 366.510 0.755 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2C)CC1 ZINC001341797517 1269213080 /nfs/dbraw/zinc/21/30/80/1269213080.db2.gz PAYJLEGYRCPJPY-INIZCTEOSA-N 2 2 366.510 0.755 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC001563447136 1269390232 /nfs/dbraw/zinc/39/02/32/1269390232.db2.gz GQOKTHDNUMKERH-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC001563447136 1269390242 /nfs/dbraw/zinc/39/02/42/1269390242.db2.gz GQOKTHDNUMKERH-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP O=C(C[NH2+][C@@H](CCO)c1ccccc1Br)N1CC[NH2+]CC1 ZINC001580553617 1278484839 /nfs/dbraw/zinc/48/48/39/1278484839.db2.gz YXBIDLBXKLONHJ-AWEZNQCLSA-N 2 2 356.264 0.894 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001342549142 1269510339 /nfs/dbraw/zinc/51/03/39/1269510339.db2.gz PHJIZQWGQQCYMT-OWOJBTEDSA-N 2 2 358.486 0.596 20 0 FCADLP CC(C[NH+]1CCc2n[nH]c(=O)cc2C1)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001342948255 1269695468 /nfs/dbraw/zinc/69/54/68/1269695468.db2.gz DRIQLNXBMPROFZ-UHFFFAOYSA-N 2 2 356.430 0.730 20 0 FCADLP CC(C[NH+]1CCc2n[nH]c(=O)cc2C1)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001342948255 1269695475 /nfs/dbraw/zinc/69/54/75/1269695475.db2.gz DRIQLNXBMPROFZ-UHFFFAOYSA-N 2 2 356.430 0.730 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574653883 1271453097 /nfs/dbraw/zinc/45/30/97/1271453097.db2.gz PHHSREFBVAFZHY-BBRMVZONSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574653883 1271453100 /nfs/dbraw/zinc/45/31/00/1271453100.db2.gz PHHSREFBVAFZHY-BBRMVZONSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574805535 1271546091 /nfs/dbraw/zinc/54/60/91/1271546091.db2.gz TYRMRVKHODHQCP-GFCCVEGCSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574805438 1271546990 /nfs/dbraw/zinc/54/69/90/1271546990.db2.gz SMXLCSQXMDEWAZ-DOMZBBRYSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574805438 1271546996 /nfs/dbraw/zinc/54/69/96/1271546996.db2.gz SMXLCSQXMDEWAZ-DOMZBBRYSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574876406 1271633912 /nfs/dbraw/zinc/63/39/12/1271633912.db2.gz JEHDBRICFMYDCG-RYUDHWBXSA-N 2 2 367.417 0.059 20 0 FCADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574889374 1271651428 /nfs/dbraw/zinc/65/14/28/1271651428.db2.gz NEFRJASZTHNFKO-OLZOCXBDSA-N 2 2 369.433 0.696 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCC([NH3+])CC2)CC1 ZINC001574993373 1271688618 /nfs/dbraw/zinc/68/86/18/1271688618.db2.gz STKRCFKOVVWVBB-UHFFFAOYSA-N 2 2 363.510 0.493 20 0 FCADLP CC(C)(C)OC(=O)[C@@]1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC001575148400 1271748694 /nfs/dbraw/zinc/74/86/94/1271748694.db2.gz GZQKJUVAEHXXFP-KSSFIOAISA-N 2 2 353.463 0.383 20 0 FCADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+][C@@]1(CO)CCC[NH2+]C1)O2 ZINC001575173094 1271763632 /nfs/dbraw/zinc/76/36/32/1271763632.db2.gz TZOSBLJFMQPJRA-PBHICJAKSA-N 2 2 355.479 0.859 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001575172697 1271763914 /nfs/dbraw/zinc/76/39/14/1271763914.db2.gz OBDJQCVHBVRPFJ-YJBOKZPZSA-N 2 2 357.495 0.780 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001575172697 1271763920 /nfs/dbraw/zinc/76/39/20/1271763920.db2.gz OBDJQCVHBVRPFJ-YJBOKZPZSA-N 2 2 357.495 0.780 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276074 1271865651 /nfs/dbraw/zinc/86/56/51/1271865651.db2.gz ONHCIQVQEGEXMW-RHSMWYFYSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276074 1271865666 /nfs/dbraw/zinc/86/56/66/1271865666.db2.gz ONHCIQVQEGEXMW-RHSMWYFYSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@H]2CC[N@@H+]2CCc2cn[nH]n2)C1 ZINC001575276074 1271865685 /nfs/dbraw/zinc/86/56/85/1271865685.db2.gz ONHCIQVQEGEXMW-RHSMWYFYSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@H]2CC[N@H+]2CCc2cn[nH]n2)C1 ZINC001575276074 1271865701 /nfs/dbraw/zinc/86/57/01/1271865701.db2.gz ONHCIQVQEGEXMW-RHSMWYFYSA-N 2 2 352.458 0.750 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575292953 1271877795 /nfs/dbraw/zinc/87/77/95/1271877795.db2.gz GRUWFJFMAWNORN-LLVKDONJSA-N 2 2 372.458 0.761 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001575295944 1271884562 /nfs/dbraw/zinc/88/45/62/1271884562.db2.gz MXYZSKNFVDBXOY-INIZCTEOSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575295944 1271884579 /nfs/dbraw/zinc/88/45/79/1271884579.db2.gz MXYZSKNFVDBXOY-INIZCTEOSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001575295944 1271884592 /nfs/dbraw/zinc/88/45/92/1271884592.db2.gz MXYZSKNFVDBXOY-INIZCTEOSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575295944 1271884605 /nfs/dbraw/zinc/88/46/05/1271884605.db2.gz MXYZSKNFVDBXOY-INIZCTEOSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001575319648 1271920653 /nfs/dbraw/zinc/92/06/53/1271920653.db2.gz FXPLZQCWQOMGCD-AWEZNQCLSA-N 2 2 350.467 0.433 20 0 FCADLP CC(C)(C)OC(=O)N(CC[NH3+])CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001575320310 1271921273 /nfs/dbraw/zinc/92/12/73/1271921273.db2.gz TYLYBDLFCIKNHD-UHFFFAOYSA-N 2 2 358.483 0.409 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001575388713 1272035660 /nfs/dbraw/zinc/03/56/60/1272035660.db2.gz YSALARXLAHASTL-OLZOCXBDSA-N 2 2 368.445 0.826 20 0 FCADLP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575696054 1272315386 /nfs/dbraw/zinc/31/53/86/1272315386.db2.gz AVMTYFBSBOHYOV-OAHLLOKOSA-N 2 2 370.461 0.428 20 0 FCADLP C[C@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695977 1272315996 /nfs/dbraw/zinc/31/59/96/1272315996.db2.gz KQLVFXBKMNEDNL-WMLDXEAASA-N 2 2 364.494 0.775 20 0 FCADLP C[C@]1(NC(=O)CCn2cc[nH+]c2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575815342 1272469323 /nfs/dbraw/zinc/46/93/23/1272469323.db2.gz YHAZQRPVAFJLPJ-KRWDZBQOSA-N 2 2 367.417 0.634 20 0 FCADLP C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC001576070400 1272832520 /nfs/dbraw/zinc/83/25/20/1272832520.db2.gz JTEVTBBMWMNIPD-BZUAXINKSA-N 2 2 364.494 0.635 20 0 FCADLP C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@@H](C)[NH+]1CCOCC1 ZINC001576201500 1272987489 /nfs/dbraw/zinc/98/74/89/1272987489.db2.gz VRIABHQOUCZJNK-SRABZTEZSA-N 2 2 354.495 0.633 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576261511 1273053453 /nfs/dbraw/zinc/05/34/53/1273053453.db2.gz KUEZDJHDCXCPIA-WBMJQRKESA-N 2 2 366.429 0.769 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576270012 1273066373 /nfs/dbraw/zinc/06/63/73/1273066373.db2.gz BTSCLOPEXLTRAL-QWHCGFSZSA-N 2 2 367.417 0.087 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576271371 1273071161 /nfs/dbraw/zinc/07/11/61/1273071161.db2.gz RLIVAWFEFGUDHZ-BBRMVZONSA-N 2 2 366.429 0.700 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576478214 1273316954 /nfs/dbraw/zinc/31/69/54/1273316954.db2.gz QRLNFJVBFTUKHL-UHFFFAOYSA-N 2 2 364.494 0.776 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576478214 1273316962 /nfs/dbraw/zinc/31/69/62/1273316962.db2.gz QRLNFJVBFTUKHL-UHFFFAOYSA-N 2 2 364.494 0.776 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576478214 1273316969 /nfs/dbraw/zinc/31/69/69/1273316969.db2.gz QRLNFJVBFTUKHL-UHFFFAOYSA-N 2 2 364.494 0.776 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576478214 1273316976 /nfs/dbraw/zinc/31/69/76/1273316976.db2.gz QRLNFJVBFTUKHL-UHFFFAOYSA-N 2 2 364.494 0.776 20 0 FCADLP CC[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[NH+](C)C ZINC001576499861 1273361497 /nfs/dbraw/zinc/36/14/97/1273361497.db2.gz OFGGWZDUFVWDOG-CQSZACIVSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@H+](C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517998 1273401949 /nfs/dbraw/zinc/40/19/49/1273401949.db2.gz WWINYRZEGFSQLA-IRXDYDNUSA-N 2 2 360.462 0.407 20 0 FCADLP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517998 1273401955 /nfs/dbraw/zinc/40/19/55/1273401955.db2.gz WWINYRZEGFSQLA-IRXDYDNUSA-N 2 2 360.462 0.407 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555666 1273434203 /nfs/dbraw/zinc/43/42/03/1273434203.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555666 1273434216 /nfs/dbraw/zinc/43/42/16/1273434216.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555666 1273434220 /nfs/dbraw/zinc/43/42/20/1273434220.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555666 1273434223 /nfs/dbraw/zinc/43/42/23/1273434223.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555666 1273434226 /nfs/dbraw/zinc/43/42/26/1273434226.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555666 1273434232 /nfs/dbraw/zinc/43/42/32/1273434232.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555666 1273434236 /nfs/dbraw/zinc/43/42/36/1273434236.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555666 1273434242 /nfs/dbraw/zinc/43/42/42/1273434242.db2.gz HIMGFOAZYWNATF-RDJZCZTQSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2cn[nH]n2)C1 ZINC001576558000 1273438493 /nfs/dbraw/zinc/43/84/93/1273438493.db2.gz UPBKTCOSBBSYNW-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2cn[nH]n2)C1 ZINC001576558000 1273438494 /nfs/dbraw/zinc/43/84/94/1273438494.db2.gz UPBKTCOSBBSYNW-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2c[nH]nn2)C1 ZINC001576558000 1273438497 /nfs/dbraw/zinc/43/84/97/1273438497.db2.gz UPBKTCOSBBSYNW-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2c[nH]nn2)C1 ZINC001576558000 1273438501 /nfs/dbraw/zinc/43/85/01/1273438501.db2.gz UPBKTCOSBBSYNW-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576558121 1273438583 /nfs/dbraw/zinc/43/85/83/1273438583.db2.gz WIKZXYHBTYXGRN-FMKPAKJESA-N 2 2 350.467 0.100 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576558121 1273438588 /nfs/dbraw/zinc/43/85/88/1273438588.db2.gz WIKZXYHBTYXGRN-FMKPAKJESA-N 2 2 350.467 0.100 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576558122 1273438995 /nfs/dbraw/zinc/43/89/95/1273438995.db2.gz WIKZXYHBTYXGRN-IIAWOOMASA-N 2 2 350.467 0.100 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnn[nH]3)C2)C1 ZINC001576558122 1273439004 /nfs/dbraw/zinc/43/90/04/1273439004.db2.gz WIKZXYHBTYXGRN-IIAWOOMASA-N 2 2 350.467 0.100 20 0 FCADLP C[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@H]1C[NH3+] ZINC001576700812 1273566983 /nfs/dbraw/zinc/56/69/83/1273566983.db2.gz WGEFHJCBTIQXPW-VYDXJSESSA-N 2 2 356.536 0.963 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3c[nH]nn3)C2)cn1 ZINC001576749430 1273620571 /nfs/dbraw/zinc/62/05/71/1273620571.db2.gz FBNPYYYSMVTNRF-DZGCQCFKSA-N 2 2 360.466 0.251 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cn[nH]n3)C2)cn1 ZINC001576749430 1273620577 /nfs/dbraw/zinc/62/05/77/1273620577.db2.gz FBNPYYYSMVTNRF-DZGCQCFKSA-N 2 2 360.466 0.251 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CC1)C[N@H+](CCc1c[nH]nn1)CCO2 ZINC001576751831 1273621402 /nfs/dbraw/zinc/62/14/02/1273621402.db2.gz NTYXFNDBPVOHQX-UHFFFAOYSA-N 2 2 364.494 0.382 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CC1)C[N@@H+](CCc1c[nH]nn1)CCO2 ZINC001576751831 1273621406 /nfs/dbraw/zinc/62/14/06/1273621406.db2.gz NTYXFNDBPVOHQX-UHFFFAOYSA-N 2 2 364.494 0.382 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CC1)C[N@H+](CCc1cn[nH]n1)CCO2 ZINC001576751831 1273621414 /nfs/dbraw/zinc/62/14/14/1273621414.db2.gz NTYXFNDBPVOHQX-UHFFFAOYSA-N 2 2 364.494 0.382 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CC1)C[N@@H+](CCc1cn[nH]n1)CCO2 ZINC001576751831 1273621422 /nfs/dbraw/zinc/62/14/22/1273621422.db2.gz NTYXFNDBPVOHQX-UHFFFAOYSA-N 2 2 364.494 0.382 20 0 FCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC001576760283 1273633188 /nfs/dbraw/zinc/63/31/88/1273633188.db2.gz NIRCHTWUEXPDAZ-IKGGRYGDSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC001576760283 1273633193 /nfs/dbraw/zinc/63/31/93/1273633193.db2.gz NIRCHTWUEXPDAZ-IKGGRYGDSA-N 2 2 358.486 0.928 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001580721970 1278801610 /nfs/dbraw/zinc/80/16/10/1278801610.db2.gz SOSFXDHWDONILX-AWEZNQCLSA-N 2 2 354.414 0.244 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576808182 1273720242 /nfs/dbraw/zinc/72/02/42/1273720242.db2.gz ZYEADQLSERCDEX-KBPBESRZSA-N 2 2 358.483 0.408 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576808182 1273720246 /nfs/dbraw/zinc/72/02/46/1273720246.db2.gz ZYEADQLSERCDEX-KBPBESRZSA-N 2 2 358.483 0.408 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576860018 1273821534 /nfs/dbraw/zinc/82/15/34/1273821534.db2.gz DRQTUELVJVGNDO-BZUAXINKSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576860018 1273821538 /nfs/dbraw/zinc/82/15/38/1273821538.db2.gz DRQTUELVJVGNDO-BZUAXINKSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@H]1CCOC1 ZINC001576860750 1273823346 /nfs/dbraw/zinc/82/33/46/1273823346.db2.gz LIBSRZZFXRRFJI-WCVJEAGWSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@H]1CCOC1 ZINC001576860750 1273823358 /nfs/dbraw/zinc/82/33/58/1273823358.db2.gz LIBSRZZFXRRFJI-WCVJEAGWSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([NH3+])C1 ZINC001576862840 1273827037 /nfs/dbraw/zinc/82/70/37/1273827037.db2.gz WGYHFFLCQUUUCM-SOUVJXGZSA-N 2 2 350.467 0.388 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([NH3+])C1 ZINC001576862840 1273827043 /nfs/dbraw/zinc/82/70/43/1273827043.db2.gz WGYHFFLCQUUUCM-SOUVJXGZSA-N 2 2 350.467 0.388 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001576898190 1273897969 /nfs/dbraw/zinc/89/79/69/1273897969.db2.gz NPEJSVAKOSULBJ-GOEBONIOSA-N 2 2 353.511 0.521 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902222 1273905863 /nfs/dbraw/zinc/90/58/63/1273905863.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902222 1273905866 /nfs/dbraw/zinc/90/58/66/1273905866.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCc1c[nH]nn1 ZINC001576902222 1273905872 /nfs/dbraw/zinc/90/58/72/1273905872.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CCc1c[nH]nn1 ZINC001576902222 1273905874 /nfs/dbraw/zinc/90/58/74/1273905874.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902222 1273905877 /nfs/dbraw/zinc/90/58/77/1273905877.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902222 1273905879 /nfs/dbraw/zinc/90/58/79/1273905879.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCc1cn[nH]n1 ZINC001576902222 1273905883 /nfs/dbraw/zinc/90/58/83/1273905883.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CCc1cn[nH]n1 ZINC001576902222 1273905887 /nfs/dbraw/zinc/90/58/87/1273905887.db2.gz CUDYLFRXECOSGV-OALUTQOASA-N 2 2 368.485 0.985 20 0 FCADLP CC[C@](C)(O)Cn1c([C@@H]2CCC[NH2+]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001576967535 1273991821 /nfs/dbraw/zinc/99/18/21/1273991821.db2.gz RRDLVCFDSGDPLU-YJBOKZPZSA-N 2 2 366.510 0.632 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577553546 1274492975 /nfs/dbraw/zinc/49/29/75/1274492975.db2.gz BVADOQIJOSXYJI-AWEZNQCLSA-N 2 2 372.477 0.888 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577553546 1274492980 /nfs/dbraw/zinc/49/29/80/1274492980.db2.gz BVADOQIJOSXYJI-AWEZNQCLSA-N 2 2 372.477 0.888 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577557080 1274498632 /nfs/dbraw/zinc/49/86/32/1274498632.db2.gz RVKCMCJYEZMAGI-XJKSGUPXSA-N 2 2 370.461 0.641 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577557080 1274498634 /nfs/dbraw/zinc/49/86/34/1274498634.db2.gz RVKCMCJYEZMAGI-XJKSGUPXSA-N 2 2 370.461 0.641 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C)CCC[NH2+]CCc1cn[nH]n1)C2 ZINC001577571185 1274533215 /nfs/dbraw/zinc/53/32/15/1274533215.db2.gz AAPAMJZAMBJZOA-UKRRQHHQSA-N 2 2 359.478 0.989 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C)CCC[NH2+]CCc1c[nH]nn1)C2 ZINC001577571185 1274533218 /nfs/dbraw/zinc/53/32/18/1274533218.db2.gz AAPAMJZAMBJZOA-UKRRQHHQSA-N 2 2 359.478 0.989 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577572459 1274535279 /nfs/dbraw/zinc/53/52/79/1274535279.db2.gz WCVZWPJKIUHBNZ-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577572459 1274535282 /nfs/dbraw/zinc/53/52/82/1274535282.db2.gz WCVZWPJKIUHBNZ-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577572459 1274535286 /nfs/dbraw/zinc/53/52/86/1274535286.db2.gz WCVZWPJKIUHBNZ-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577572459 1274535289 /nfs/dbraw/zinc/53/52/89/1274535289.db2.gz WCVZWPJKIUHBNZ-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCCCC[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC001577873075 1275064736 /nfs/dbraw/zinc/06/47/36/1275064736.db2.gz UVMFZGBFICPQPY-OAHLLOKOSA-N 2 2 350.467 0.388 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882694 1275082355 /nfs/dbraw/zinc/08/23/55/1275082355.db2.gz KCDYCWWKWBWHRC-ZDUSSCGKSA-N 2 2 358.450 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577891431 1275099755 /nfs/dbraw/zinc/09/97/55/1275099755.db2.gz CLCBONYEMMKSAZ-UHFFFAOYSA-N 2 2 372.477 0.866 20 0 FCADLP CC[NH+](CC)CC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577895603 1275105564 /nfs/dbraw/zinc/10/55/64/1275105564.db2.gz KQTIRIAPHHKMEY-UHFFFAOYSA-N 2 2 372.477 0.936 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577895961 1275107493 /nfs/dbraw/zinc/10/74/93/1275107493.db2.gz VYSZYCUXFCFIIW-ZDUSSCGKSA-N 2 2 358.450 0.689 20 0 FCADLP CCOCCn1c(C2CC[NH2+]CC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578121978 1275423859 /nfs/dbraw/zinc/42/38/59/1275423859.db2.gz HQWDAELPOAEYDS-UHFFFAOYSA-N 2 2 366.510 0.550 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCn1cc[nH+]c1 ZINC001578136844 1275435898 /nfs/dbraw/zinc/43/58/98/1275435898.db2.gz XPEZPPWPHWFWJR-UHFFFAOYSA-N 2 2 355.406 0.231 20 0 FCADLP C[NH+](C)[C@]1(C(=O)N2CC(n3cc(C[NH3+])nn3)C2)COc2ccccc2C1 ZINC001578407893 1275781112 /nfs/dbraw/zinc/78/11/12/1275781112.db2.gz DCURDUMNIMNBOM-SFHVURJKSA-N 2 2 356.430 0.056 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578471579 1275883852 /nfs/dbraw/zinc/88/38/52/1275883852.db2.gz UPAPKHFJZXEKEI-TZMCWYRMSA-N 2 2 358.450 0.544 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH3+] ZINC001578473387 1275886053 /nfs/dbraw/zinc/88/60/53/1275886053.db2.gz ODNVCWRRWSFFGV-UHFFFAOYSA-N 2 2 373.505 0.770 20 0 FCADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](CCO)C2)[C@H]1c1ccc(F)cc1 ZINC001578525025 1275957472 /nfs/dbraw/zinc/95/74/72/1275957472.db2.gz MKKPSQVPXBTPML-YESZJQIVSA-N 2 2 350.438 0.937 20 0 FCADLP C[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](CCO)C2)[C@H]1c1ccc(F)cc1 ZINC001578525025 1275957479 /nfs/dbraw/zinc/95/74/79/1275957479.db2.gz MKKPSQVPXBTPML-YESZJQIVSA-N 2 2 350.438 0.937 20 0 FCADLP C[NH2+]CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001578722293 1276195031 /nfs/dbraw/zinc/19/50/31/1276195031.db2.gz YUPRGADCZVKUQM-UHFFFAOYSA-N 2 2 367.461 0.620 20 0 FCADLP COC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001578804800 1276294190 /nfs/dbraw/zinc/29/41/90/1276294190.db2.gz FDOFDNNPRFRHMJ-KBXCAEBGSA-N 2 2 356.463 0.962 20 0 FCADLP COC(=O)CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001578804800 1276294193 /nfs/dbraw/zinc/29/41/93/1276294193.db2.gz FDOFDNNPRFRHMJ-KBXCAEBGSA-N 2 2 356.463 0.962 20 0 FCADLP CN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578848086 1276370450 /nfs/dbraw/zinc/37/04/50/1276370450.db2.gz VETLUVDJTPCTEC-UHFFFAOYSA-N 2 2 367.457 0.605 20 0 FCADLP C[N@H+](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013832 1276588445 /nfs/dbraw/zinc/58/84/45/1276588445.db2.gz FYLGEHBDBCMMFS-CYBMUJFWSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013832 1276588455 /nfs/dbraw/zinc/58/84/55/1276588455.db2.gz FYLGEHBDBCMMFS-CYBMUJFWSA-N 2 2 370.461 0.689 20 0 FCADLP CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070078 1276679118 /nfs/dbraw/zinc/67/91/18/1276679118.db2.gz NNTNSPUFZJKPJL-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070078 1276679131 /nfs/dbraw/zinc/67/91/31/1276679131.db2.gz NNTNSPUFZJKPJL-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001579099396 1276752670 /nfs/dbraw/zinc/75/26/70/1276752670.db2.gz ZVWPAIIOGNFYQU-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001579099396 1276752676 /nfs/dbraw/zinc/75/26/76/1276752676.db2.gz ZVWPAIIOGNFYQU-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579099370 1276753246 /nfs/dbraw/zinc/75/32/46/1276753246.db2.gz ZHHMPHZGBVXAMT-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579099370 1276753256 /nfs/dbraw/zinc/75/32/56/1276753256.db2.gz ZHHMPHZGBVXAMT-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579099370 1276753269 /nfs/dbraw/zinc/75/32/69/1276753269.db2.gz ZHHMPHZGBVXAMT-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579099370 1276753273 /nfs/dbraw/zinc/75/32/73/1276753273.db2.gz ZHHMPHZGBVXAMT-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP C[NH+](C)C1(C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001579165095 1276915877 /nfs/dbraw/zinc/91/58/77/1276915877.db2.gz QFCKJXSAFRWYHI-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](C)C1(C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001579165095 1276915887 /nfs/dbraw/zinc/91/58/87/1276915887.db2.gz QFCKJXSAFRWYHI-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001579285271 1277107315 /nfs/dbraw/zinc/10/73/15/1277107315.db2.gz UVKNOJQWSBLLSY-UHFFFAOYSA-N 2 2 367.417 0.586 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001579339900 1277185484 /nfs/dbraw/zinc/18/54/84/1277185484.db2.gz OIGZSADROJQESE-IKGGRYGDSA-N 2 2 365.499 0.481 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001579339900 1277185488 /nfs/dbraw/zinc/18/54/88/1277185488.db2.gz OIGZSADROJQESE-IKGGRYGDSA-N 2 2 365.499 0.481 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579353460 1277211088 /nfs/dbraw/zinc/21/10/88/1277211088.db2.gz MSAWBGPOOIPZFO-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579353460 1277211090 /nfs/dbraw/zinc/21/10/90/1277211090.db2.gz MSAWBGPOOIPZFO-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358569 1277226115 /nfs/dbraw/zinc/22/61/15/1277226115.db2.gz GHVJUZUZAALKQS-CZUORRHYSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358569 1277226123 /nfs/dbraw/zinc/22/61/23/1277226123.db2.gz GHVJUZUZAALKQS-CZUORRHYSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368819 1277250067 /nfs/dbraw/zinc/25/00/67/1277250067.db2.gz LCBNCKQIJWIHAE-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368819 1277250072 /nfs/dbraw/zinc/25/00/72/1277250072.db2.gz LCBNCKQIJWIHAE-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367392 1277250513 /nfs/dbraw/zinc/25/05/13/1277250513.db2.gz SXEFOOQXZCGNSI-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367392 1277250516 /nfs/dbraw/zinc/25/05/16/1277250516.db2.gz SXEFOOQXZCGNSI-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP Cc1nc(N2CCN(c3nnc([C@H]4CCCCO4)n3CC[NH3+])CC2)cc[nH+]1 ZINC001579880464 1277947691 /nfs/dbraw/zinc/94/76/91/1277947691.db2.gz JTMJUSZKQOMTMS-OAHLLOKOSA-N 2 2 372.477 0.903 20 0 FCADLP COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC001580015940 1277990216 /nfs/dbraw/zinc/99/02/16/1277990216.db2.gz SZJNRZGSHOSKNW-LBPRGKRZSA-N 2 2 370.417 0.366 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001580276971 1278071564 /nfs/dbraw/zinc/07/15/64/1278071564.db2.gz IAOCFKLIGSRORD-JTQLQIEISA-N 2 2 360.447 0.499 20 0 FCADLP O=S1(=O)CC[C@H]([N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)C1 ZINC001580872776 1279077068 /nfs/dbraw/zinc/07/70/68/1279077068.db2.gz KTRRYHYMEBITDH-MWDXBVQZSA-N 2 2 358.504 0.423 20 0 FCADLP O=S1(=O)CC[C@H]([N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)C1 ZINC001580872776 1279077077 /nfs/dbraw/zinc/07/70/77/1279077077.db2.gz KTRRYHYMEBITDH-MWDXBVQZSA-N 2 2 358.504 0.423 20 0 FCADLP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991315 1279195166 /nfs/dbraw/zinc/19/51/66/1279195166.db2.gz YHDGKMVMCSKEHD-VXGBXAGGSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1cc(N[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992783 1279197071 /nfs/dbraw/zinc/19/70/71/1279197071.db2.gz ATXNJFDBEFCCHP-CQSZACIVSA-N 2 2 369.433 0.511 20 0 FCADLP Cc1cc(N[C@@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993945 1279199864 /nfs/dbraw/zinc/19/98/64/1279199864.db2.gz OTONXAMLGDUPKD-HNNXBMFYSA-N 2 2 369.433 0.441 20 0 FCADLP Cc1cc(N[C@H](C)CN(C)C(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993527 1279199886 /nfs/dbraw/zinc/19/98/86/1279199886.db2.gz FQGBEEWITPHXDR-GFCCVEGCSA-N 2 2 369.433 0.227 20 0 FCADLP Cc1cc(NC[C@@H](C)NC(=O)CCc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030536 1279268626 /nfs/dbraw/zinc/26/86/26/1279268626.db2.gz DESUQPRYBBMHSZ-GFCCVEGCSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1cc(NC[C@H](C)NC(=O)CCc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031733 1279269128 /nfs/dbraw/zinc/26/91/28/1279269128.db2.gz DESUQPRYBBMHSZ-LBPRGKRZSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581036162 1279271477 /nfs/dbraw/zinc/27/14/77/1279271477.db2.gz XNPAAYHNGGPICL-LBPRGKRZSA-N 2 2 367.417 0.279 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001714965932 1287339928 /nfs/dbraw/zinc/33/99/28/1287339928.db2.gz LOZWZEKKCNWIIM-GDBMZVCRSA-N 2 2 352.523 0.927 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NCCC(C)(C)C)C2)CC[N@H+]1C ZINC001714965932 1287339934 /nfs/dbraw/zinc/33/99/34/1287339934.db2.gz LOZWZEKKCNWIIM-GDBMZVCRSA-N 2 2 352.523 0.927 20 0 FCADLP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001715254816 1287347645 /nfs/dbraw/zinc/34/76/45/1287347645.db2.gz OBTSPJDZKSPXOX-NWANDNLSSA-N 2 2 358.446 0.864 20 0 FCADLP C[C@@H](CCCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001603473107 1287382649 /nfs/dbraw/zinc/38/26/49/1287382649.db2.gz VGJDTDAZZIOMBH-ZDUSSCGKSA-N 2 2 369.433 0.667 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581562544 1280136923 /nfs/dbraw/zinc/13/69/23/1280136923.db2.gz YDADRGSYFJGRQK-UHFFFAOYSA-N 2 2 366.429 0.714 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563851 1280141458 /nfs/dbraw/zinc/14/14/58/1280141458.db2.gz SSAPAMFXFQIHAT-QGZVFWFLSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001581565362 1280144603 /nfs/dbraw/zinc/14/46/03/1280144603.db2.gz MNTNUEZTOXXHEH-LLVKDONJSA-N 2 2 372.408 0.805 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582089842 1281046741 /nfs/dbraw/zinc/04/67/41/1281046741.db2.gz AWHRDDXAZDGZNR-WKILWMFISA-N 2 2 366.429 0.890 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001582090513 1281046990 /nfs/dbraw/zinc/04/69/90/1281046990.db2.gz ULHAIOPTDUZEAO-UHFFFAOYSA-N 2 2 358.381 0.498 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582100942 1281057689 /nfs/dbraw/zinc/05/76/89/1281057689.db2.gz WIQZMGMCSBDFBL-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582100942 1281057692 /nfs/dbraw/zinc/05/76/92/1281057692.db2.gz WIQZMGMCSBDFBL-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582169329 1281135862 /nfs/dbraw/zinc/13/58/62/1281135862.db2.gz MZLGENPAHDNPFS-CQSZACIVSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582169681 1281137558 /nfs/dbraw/zinc/13/75/58/1281137558.db2.gz BVDZYKKYTNVDQZ-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582182924 1281159062 /nfs/dbraw/zinc/15/90/62/1281159062.db2.gz MJIBWTQALXTKHK-HNNXBMFYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582184166 1281164171 /nfs/dbraw/zinc/16/41/71/1281164171.db2.gz ZGBJQSQVDUOUFB-CTYIDZIISA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582195301 1281175427 /nfs/dbraw/zinc/17/54/27/1281175427.db2.gz SVTPFJUKPFMHRN-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582195231 1281175913 /nfs/dbraw/zinc/17/59/13/1281175913.db2.gz PZZUQLAUXHASHJ-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582196348 1281176476 /nfs/dbraw/zinc/17/64/76/1281176476.db2.gz HJXFPNGMGPBKLU-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582196348 1281176479 /nfs/dbraw/zinc/17/64/79/1281176479.db2.gz HJXFPNGMGPBKLU-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001582196332 1281176767 /nfs/dbraw/zinc/17/67/67/1281176767.db2.gz GYSCAQRWPCRUIX-UHFFFAOYSA-N 2 2 372.458 0.953 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001582196427 1281177078 /nfs/dbraw/zinc/17/70/78/1281177078.db2.gz JXANIOXDTFZBOJ-UHFFFAOYSA-N 2 2 370.392 0.641 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582196403 1281177361 /nfs/dbraw/zinc/17/73/61/1281177361.db2.gz ITJBRMUIMRFIRI-MRXNPFEDSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582196424 1281177628 /nfs/dbraw/zinc/17/76/28/1281177628.db2.gz JUBGWARINKJGCW-INIZCTEOSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582196847 1281178651 /nfs/dbraw/zinc/17/86/51/1281178651.db2.gz WJLFXQMMENUWKK-ZDUSSCGKSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582196573 1281179326 /nfs/dbraw/zinc/17/93/26/1281179326.db2.gz OEZKXFCPRLHLMI-GFCCVEGCSA-N 2 2 353.390 0.243 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197201 1281180077 /nfs/dbraw/zinc/18/00/77/1281180077.db2.gz IEKLNZYIGNWKAO-TXEJJXNPSA-N 2 2 372.458 0.809 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197256 1281180169 /nfs/dbraw/zinc/18/01/69/1281180169.db2.gz JOQQALYXMAXSSG-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197256 1281180174 /nfs/dbraw/zinc/18/01/74/1281180174.db2.gz JOQQALYXMAXSSG-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001582197827 1281183036 /nfs/dbraw/zinc/18/30/36/1281183036.db2.gz AZVGLERSBYZHAO-QLPKVWCKSA-N 2 2 364.413 0.310 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001582197827 1281183038 /nfs/dbraw/zinc/18/30/38/1281183038.db2.gz AZVGLERSBYZHAO-QLPKVWCKSA-N 2 2 364.413 0.310 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197994 1281184943 /nfs/dbraw/zinc/18/49/43/1281184943.db2.gz ICLOKAZDUYNTJF-AWEZNQCLSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197994 1281184946 /nfs/dbraw/zinc/18/49/46/1281184946.db2.gz ICLOKAZDUYNTJF-AWEZNQCLSA-N 2 2 352.402 0.454 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001638122232 1282661119 /nfs/dbraw/zinc/66/11/19/1282661119.db2.gz MBJBNXZNSHSAJV-CVEARBPZSA-N 2 2 365.478 0.056 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001638122232 1282661137 /nfs/dbraw/zinc/66/11/37/1282661137.db2.gz MBJBNXZNSHSAJV-CVEARBPZSA-N 2 2 365.478 0.056 20 0 FCADLP CCCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604206025 1287589622 /nfs/dbraw/zinc/58/96/22/1287589622.db2.gz HGQDRNHEJJUKJP-CQSZACIVSA-N 2 2 372.477 0.936 20 0 FCADLP CCCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604206025 1287589631 /nfs/dbraw/zinc/58/96/31/1287589631.db2.gz HGQDRNHEJJUKJP-CQSZACIVSA-N 2 2 372.477 0.936 20 0 FCADLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)Cn1cc[nH+]c1 ZINC001589869455 1283102590 /nfs/dbraw/zinc/10/25/90/1283102590.db2.gz GXBFVMXCLRISGK-HIFRSBDPSA-N 2 2 357.418 0.729 20 0 FCADLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)Cn1cc[nH+]c1 ZINC001589869457 1283102857 /nfs/dbraw/zinc/10/28/57/1283102857.db2.gz GXBFVMXCLRISGK-ZFWWWQNUSA-N 2 2 357.418 0.729 20 0 FCADLP C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001590023081 1283178871 /nfs/dbraw/zinc/17/88/71/1283178871.db2.gz RWHUQTVZZSBAQP-LBPRGKRZSA-N 2 2 359.434 0.173 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590173021 1283275627 /nfs/dbraw/zinc/27/56/27/1283275627.db2.gz CCJBCOIDTHWLQS-MLGOLLRUSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[N@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307482 1283451055 /nfs/dbraw/zinc/45/10/55/1283451055.db2.gz NDLPCCRLNGEMCI-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307482 1283451058 /nfs/dbraw/zinc/45/10/58/1283451058.db2.gz NDLPCCRLNGEMCI-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001719062815 1287642406 /nfs/dbraw/zinc/64/24/06/1287642406.db2.gz VDRYRJQBLDJJOU-DLBZAZTESA-N 2 2 370.457 0.928 20 0 FCADLP C[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591177088 1284273310 /nfs/dbraw/zinc/27/33/10/1284273310.db2.gz VQORXAPEGSVDLL-LBPRGKRZSA-N 2 2 350.448 0.182 20 0 FCADLP C[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591177088 1284273311 /nfs/dbraw/zinc/27/33/11/1284273311.db2.gz VQORXAPEGSVDLL-LBPRGKRZSA-N 2 2 350.448 0.182 20 0 FCADLP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591179036 1284277001 /nfs/dbraw/zinc/27/70/01/1284277001.db2.gz YGFDCUIVVABSQY-HNNXBMFYSA-N 2 2 369.473 0.851 20 0 FCADLP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591179036 1284277011 /nfs/dbraw/zinc/27/70/11/1284277011.db2.gz YGFDCUIVVABSQY-HNNXBMFYSA-N 2 2 369.473 0.851 20 0 FCADLP Cc1cc(NCCCN(C)C(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047166 1285091349 /nfs/dbraw/zinc/09/13/49/1285091349.db2.gz KEYKUTUOPCQOGV-UHFFFAOYSA-N 2 2 369.433 0.539 20 0 FCADLP Cc1cc(NC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592048012 1285093319 /nfs/dbraw/zinc/09/33/19/1285093319.db2.gz YHPDAVYEIHFSIO-NSCUHMNNSA-N 2 2 353.390 0.042 20 0 FCADLP Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1-c1nn[nH]n1 ZINC001592154794 1285161015 /nfs/dbraw/zinc/16/10/15/1285161015.db2.gz JECIFWQSLLAEQZ-QGZVFWFLSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1-c1nn[nH]n1 ZINC001592154794 1285161021 /nfs/dbraw/zinc/16/10/21/1285161021.db2.gz JECIFWQSLLAEQZ-QGZVFWFLSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1ccn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266773 1285208359 /nfs/dbraw/zinc/20/83/59/1285208359.db2.gz GVZSCKKDKBKCTK-ZNMIVQPWSA-N 2 2 357.462 0.956 20 0 FCADLP Cc1ccn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266773 1285208372 /nfs/dbraw/zinc/20/83/72/1285208372.db2.gz GVZSCKKDKBKCTK-ZNMIVQPWSA-N 2 2 357.462 0.956 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592860222 1285763918 /nfs/dbraw/zinc/76/39/18/1285763918.db2.gz UHGGJBYPCIEMMO-UHFFFAOYSA-N 2 2 354.418 0.749 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001592928707 1285818296 /nfs/dbraw/zinc/81/82/96/1285818296.db2.gz WUIJGSFOZZTZLP-JOCQHMNTSA-N 2 2 370.392 0.708 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC001703992799 1286170738 /nfs/dbraw/zinc/17/07/38/1286170738.db2.gz DWXAWFSVCZEVBS-PVWIJFIWSA-N 2 2 359.474 0.266 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC001703992799 1286170746 /nfs/dbraw/zinc/17/07/46/1286170746.db2.gz DWXAWFSVCZEVBS-PVWIJFIWSA-N 2 2 359.474 0.266 20 0 FCADLP COCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609323172 1289094883 /nfs/dbraw/zinc/09/48/83/1289094883.db2.gz HGCBOMGYLMJUMO-KRWDZBQOSA-N 2 2 360.462 0.991 20 0 FCADLP CNC(=O)CCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604879736 1287804950 /nfs/dbraw/zinc/80/49/50/1287804950.db2.gz DDDVIKJJJYRWRN-UHFFFAOYSA-N 2 2 357.462 0.947 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001605987265 1288120617 /nfs/dbraw/zinc/12/06/17/1288120617.db2.gz CKONCUSZRYAWGY-JOCQHMNTSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001606097513 1288161610 /nfs/dbraw/zinc/16/16/10/1288161610.db2.gz GZIHITXFGQISAY-UHFFFAOYSA-N 2 2 367.417 0.552 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)CC1 ZINC001606436417 1288316767 /nfs/dbraw/zinc/31/67/67/1288316767.db2.gz BCWFALRYQRCRDW-UHFFFAOYSA-N 2 2 356.434 0.315 20 0 FCADLP CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001731787324 1288564662 /nfs/dbraw/zinc/56/46/62/1288564662.db2.gz GDEAGJWBWQTWEX-MSOLQXFVSA-N 2 2 360.502 0.906 20 0 FCADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001731787324 1288564666 /nfs/dbraw/zinc/56/46/66/1288564666.db2.gz GDEAGJWBWQTWEX-MSOLQXFVSA-N 2 2 360.502 0.906 20 0 FCADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001731787324 1288564667 /nfs/dbraw/zinc/56/46/67/1288564667.db2.gz GDEAGJWBWQTWEX-MSOLQXFVSA-N 2 2 360.502 0.906 20 0 FCADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001731787324 1288564670 /nfs/dbraw/zinc/56/46/70/1288564670.db2.gz GDEAGJWBWQTWEX-MSOLQXFVSA-N 2 2 360.502 0.906 20 0 FCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)COc1ccccc1-c1nn[nH]n1 ZINC001607093811 1288657932 /nfs/dbraw/zinc/65/79/32/1288657932.db2.gz FTGVQCYIBCEOIL-AWEZNQCLSA-N 2 2 357.418 0.873 20 0 FCADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001609506066 1289187438 /nfs/dbraw/zinc/18/74/38/1289187438.db2.gz PPFMICDUPYYMQC-INIZCTEOSA-N 2 2 370.461 0.431 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1)OC ZINC001691978327 1289355108 /nfs/dbraw/zinc/35/51/08/1289355108.db2.gz BHICKLMOHXZENC-IXDOHACOSA-N 2 2 360.462 0.695 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001692042333 1289375096 /nfs/dbraw/zinc/37/50/96/1289375096.db2.gz PCKAMKAQNRDHSN-WOSRLPQWSA-N 2 2 363.462 0.072 20 0 FCADLP COCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692043110 1289375130 /nfs/dbraw/zinc/37/51/30/1289375130.db2.gz LEZNIIZJNKLCHB-BZUAXINKSA-N 2 2 350.463 0.455 20 0 FCADLP COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692043110 1289375141 /nfs/dbraw/zinc/37/51/41/1289375141.db2.gz LEZNIIZJNKLCHB-BZUAXINKSA-N 2 2 350.463 0.455 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001692083367 1289389861 /nfs/dbraw/zinc/38/98/61/1289389861.db2.gz SMYJJSFMCJMGRC-CVEARBPZSA-N 2 2 361.490 0.515 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001692083367 1289389870 /nfs/dbraw/zinc/38/98/70/1289389870.db2.gz SMYJJSFMCJMGRC-CVEARBPZSA-N 2 2 361.490 0.515 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001698081861 1289522734 /nfs/dbraw/zinc/52/27/34/1289522734.db2.gz ASTKXMWSMJVCPR-JKSUJKDBSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001698081861 1289522743 /nfs/dbraw/zinc/52/27/43/1289522743.db2.gz ASTKXMWSMJVCPR-JKSUJKDBSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001698081858 1289523007 /nfs/dbraw/zinc/52/30/07/1289523007.db2.gz ASTKXMWSMJVCPR-CVEARBPZSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001698081858 1289523012 /nfs/dbraw/zinc/52/30/12/1289523012.db2.gz ASTKXMWSMJVCPR-CVEARBPZSA-N 2 2 366.510 0.464 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001698722375 1289534007 /nfs/dbraw/zinc/53/40/07/1289534007.db2.gz FLHOYBUTSIPNCR-ARFHVFGLSA-N 2 2 350.463 0.739 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001698722375 1289534011 /nfs/dbraw/zinc/53/40/11/1289534011.db2.gz FLHOYBUTSIPNCR-ARFHVFGLSA-N 2 2 350.463 0.739 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001698845560 1289537843 /nfs/dbraw/zinc/53/78/43/1289537843.db2.gz LBOCOTZKPNBSRU-DAXOMENPSA-N 2 2 359.478 0.869 20 0 FCADLP O=C(N[C@@H](C[NH2+]CCO)C1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001699791154 1289568103 /nfs/dbraw/zinc/56/81/03/1289568103.db2.gz FRCWXBZDUZSEEJ-SQNIBIBYSA-N 2 2 369.506 0.123 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001737805626 1289590768 /nfs/dbraw/zinc/59/07/68/1289590768.db2.gz WJDHVHMTTIIDKB-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001737805626 1289590772 /nfs/dbraw/zinc/59/07/72/1289590772.db2.gz WJDHVHMTTIIDKB-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001737871559 1289603827 /nfs/dbraw/zinc/60/38/27/1289603827.db2.gz UTTRZCIRVSIIBL-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001737871559 1289603835 /nfs/dbraw/zinc/60/38/35/1289603835.db2.gz UTTRZCIRVSIIBL-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2O)CC1 ZINC001739675574 1290341240 /nfs/dbraw/zinc/34/12/40/1290341240.db2.gz WXHRSPQUYHYUBZ-CVEARBPZSA-N 2 2 371.441 0.206 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@@H](C)c2csnn2)CC[N@@H+]1C ZINC001754882689 1290637359 /nfs/dbraw/zinc/63/73/59/1290637359.db2.gz OBRWTNOQISHIAM-KCQAQPDRSA-N 2 2 355.508 0.740 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@@H](C)c2csnn2)CC[N@H+]1C ZINC001754882689 1290637373 /nfs/dbraw/zinc/63/73/73/1290637373.db2.gz OBRWTNOQISHIAM-KCQAQPDRSA-N 2 2 355.508 0.740 20 0 FCADLP O=C(NC1CC(C[NH2+]CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001755214520 1290642815 /nfs/dbraw/zinc/64/28/15/1290642815.db2.gz ZTLAJRFDPMAMTC-BACDZXNISA-N 2 2 357.470 0.710 20 0 FCADLP C[C@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953836 1290998273 /nfs/dbraw/zinc/99/82/73/1290998273.db2.gz XLGOJOISIZVAIJ-MGPQQGTHSA-N 2 2 360.466 0.874 20 0 FCADLP C[C@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953836 1290998278 /nfs/dbraw/zinc/99/82/78/1290998278.db2.gz XLGOJOISIZVAIJ-MGPQQGTHSA-N 2 2 360.466 0.874 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001652706260 1291294433 /nfs/dbraw/zinc/29/44/33/1291294433.db2.gz YYORLUKINDJIBB-IXDOHACOSA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001652706260 1291294435 /nfs/dbraw/zinc/29/44/35/1291294435.db2.gz YYORLUKINDJIBB-IXDOHACOSA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001652706260 1291294443 /nfs/dbraw/zinc/29/44/43/1291294443.db2.gz YYORLUKINDJIBB-IXDOHACOSA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001652706260 1291294446 /nfs/dbraw/zinc/29/44/46/1291294446.db2.gz YYORLUKINDJIBB-IXDOHACOSA-N 2 2 356.426 0.955 20 0 FCADLP C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001656449377 1291524229 /nfs/dbraw/zinc/52/42/29/1291524229.db2.gz HBDVDUGOSCOXTN-OSPHWJPCSA-N 2 2 351.516 0.920 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001656843199 1291567378 /nfs/dbraw/zinc/56/73/78/1291567378.db2.gz PBXVFSBGGFMWTB-OAGGEKHMSA-N 2 2 361.490 0.956 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001656843199 1291567385 /nfs/dbraw/zinc/56/73/85/1291567385.db2.gz PBXVFSBGGFMWTB-OAGGEKHMSA-N 2 2 361.490 0.956 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001688224942 1293055841 /nfs/dbraw/zinc/05/58/41/1293055841.db2.gz INRWYFOLDLDWRO-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001688338577 1294482934 /nfs/dbraw/zinc/48/29/34/1294482934.db2.gz LZBPGSHISPSKPW-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001688986551 1294561360 /nfs/dbraw/zinc/56/13/60/1294561360.db2.gz RAYIPLCYNHENGX-NUEKZKHPSA-N 2 2 360.458 0.786 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)NC1CCOCC1 ZINC001689004989 1294564917 /nfs/dbraw/zinc/56/49/17/1294564917.db2.gz JVRODEWFZKXQCA-DZGCQCFKSA-N 2 2 363.462 0.122 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)no1 ZINC001689021742 1294571973 /nfs/dbraw/zinc/57/19/73/1294571973.db2.gz HALIUQDKCWMLOQ-UONOGXRCSA-N 2 2 360.418 0.693 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174933 1294637782 /nfs/dbraw/zinc/63/77/82/1294637782.db2.gz AYPRMLNWSUZEQR-BFHYXJOUSA-N 2 2 353.467 0.025 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174933 1294637790 /nfs/dbraw/zinc/63/77/90/1294637790.db2.gz AYPRMLNWSUZEQR-BFHYXJOUSA-N 2 2 353.467 0.025 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174933 1294637800 /nfs/dbraw/zinc/63/78/00/1294637800.db2.gz AYPRMLNWSUZEQR-BFHYXJOUSA-N 2 2 353.467 0.025 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1CC ZINC001689174933 1294637809 /nfs/dbraw/zinc/63/78/09/1294637809.db2.gz AYPRMLNWSUZEQR-BFHYXJOUSA-N 2 2 353.467 0.025 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CC(=O)NC(C)C ZINC001689178495 1294648092 /nfs/dbraw/zinc/64/80/92/1294648092.db2.gz HKZCFZRKJXASRN-HYVNUMGLSA-N 2 2 361.490 0.939 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CC(=O)NC(C)C ZINC001689178495 1294648104 /nfs/dbraw/zinc/64/81/04/1294648104.db2.gz HKZCFZRKJXASRN-HYVNUMGLSA-N 2 2 361.490 0.939 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)NC ZINC001689188761 1294656203 /nfs/dbraw/zinc/65/62/03/1294656203.db2.gz AMPDVYUBFYFIJO-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1CC(=O)NC ZINC001689188761 1294656216 /nfs/dbraw/zinc/65/62/16/1294656216.db2.gz AMPDVYUBFYFIJO-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC001689200089 1294663912 /nfs/dbraw/zinc/66/39/12/1294663912.db2.gz SRNHGKWZYXVOMX-UONOGXRCSA-N 2 2 364.450 0.088 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CC(=O)NC(=O)NC ZINC001689200089 1294663921 /nfs/dbraw/zinc/66/39/21/1294663921.db2.gz SRNHGKWZYXVOMX-UONOGXRCSA-N 2 2 364.450 0.088 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001689222576 1294678419 /nfs/dbraw/zinc/67/84/19/1294678419.db2.gz RAKQTRVYCQFZJZ-OWCLPIDISA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001689222576 1294678431 /nfs/dbraw/zinc/67/84/31/1294678431.db2.gz RAKQTRVYCQFZJZ-OWCLPIDISA-N 2 2 366.485 0.775 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001689305840 1294731596 /nfs/dbraw/zinc/73/15/96/1294731596.db2.gz BCGXBWZUARCKTH-ZBFHGGJFSA-N 2 2 370.457 0.938 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001689305840 1294731604 /nfs/dbraw/zinc/73/16/04/1294731604.db2.gz BCGXBWZUARCKTH-ZBFHGGJFSA-N 2 2 370.457 0.938 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691688684 1294912095 /nfs/dbraw/zinc/91/20/95/1294912095.db2.gz BPGREDLVFMNUIR-YCPHGPKFSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691688684 1294912104 /nfs/dbraw/zinc/91/21/04/1294912104.db2.gz BPGREDLVFMNUIR-YCPHGPKFSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691688684 1294912117 /nfs/dbraw/zinc/91/21/17/1294912117.db2.gz BPGREDLVFMNUIR-YCPHGPKFSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001691688684 1294912124 /nfs/dbraw/zinc/91/21/24/1294912124.db2.gz BPGREDLVFMNUIR-YCPHGPKFSA-N 2 2 357.520 0.484 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCOC ZINC001691756115 1294917640 /nfs/dbraw/zinc/91/76/40/1294917640.db2.gz VRSVMDJWQBJDKC-ARFHVFGLSA-N 2 2 350.463 0.545 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C[NH2+]CCOCCO)C1 ZINC001691841167 1294938071 /nfs/dbraw/zinc/93/80/71/1294938071.db2.gz WGDZKEWQAZOORR-YYIAUSFCSA-N 2 2 364.490 0.749 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164634454 719150338 /nfs/dbraw/zinc/15/03/38/719150338.db2.gz VCNFNHSGBUHSDR-NWDGAFQWSA-N 2 2 353.492 0.097 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164634454 719150340 /nfs/dbraw/zinc/15/03/40/719150340.db2.gz VCNFNHSGBUHSDR-NWDGAFQWSA-N 2 2 353.492 0.097 20 0 FCADLP COCCN1CC[N@H+](C)C2(CCN(c3ncc(C)cc3C[NH3+])CC2)C1=O ZINC001164638020 719278231 /nfs/dbraw/zinc/27/82/31/719278231.db2.gz CACGRCFVVWXMEO-UHFFFAOYSA-N 2 2 361.490 0.608 20 0 FCADLP COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C)cc3C[NH3+])CC2)C1=O ZINC001164638020 719278236 /nfs/dbraw/zinc/27/82/36/719278236.db2.gz CACGRCFVVWXMEO-UHFFFAOYSA-N 2 2 361.490 0.608 20 0 FCADLP CN(C)c1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc[nH+]1 ZINC001164753805 720945610 /nfs/dbraw/zinc/94/56/10/720945610.db2.gz TYZIGWIROWQOPA-UHFFFAOYSA-N 2 2 359.434 0.385 20 0 FCADLP CN(C)c1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]cn1 ZINC001164753805 720945615 /nfs/dbraw/zinc/94/56/15/720945615.db2.gz TYZIGWIROWQOPA-UHFFFAOYSA-N 2 2 359.434 0.385 20 0 FCADLP CCN(C)c1cc[nH+]c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795800 721508357 /nfs/dbraw/zinc/50/83/57/721508357.db2.gz NHUJKENMDUMJKR-UHFFFAOYSA-N 2 2 370.505 0.897 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902912 837555211 /nfs/dbraw/zinc/55/52/11/837555211.db2.gz VHBJKAWKWKDCBI-PMPSAXMXSA-N 2 2 360.487 0.976 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902912 837555217 /nfs/dbraw/zinc/55/52/17/837555217.db2.gz VHBJKAWKWKDCBI-PMPSAXMXSA-N 2 2 360.487 0.976 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902912 837555222 /nfs/dbraw/zinc/55/52/22/837555222.db2.gz VHBJKAWKWKDCBI-PMPSAXMXSA-N 2 2 360.487 0.976 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902912 837555230 /nfs/dbraw/zinc/55/52/30/837555230.db2.gz VHBJKAWKWKDCBI-PMPSAXMXSA-N 2 2 360.487 0.976 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902676 837555588 /nfs/dbraw/zinc/55/55/88/837555588.db2.gz JTKSMNUJUWMOFT-UPJWGTAASA-N 2 2 360.384 0.666 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902676 837555598 /nfs/dbraw/zinc/55/55/98/837555598.db2.gz JTKSMNUJUWMOFT-UPJWGTAASA-N 2 2 360.384 0.666 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902676 837555608 /nfs/dbraw/zinc/55/56/08/837555608.db2.gz JTKSMNUJUWMOFT-UPJWGTAASA-N 2 2 360.384 0.666 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902676 837555618 /nfs/dbraw/zinc/55/56/18/837555618.db2.gz JTKSMNUJUWMOFT-UPJWGTAASA-N 2 2 360.384 0.666 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cscn3)[C@@H](n3ccnn3)C2)C1 ZINC001070326920 837646582 /nfs/dbraw/zinc/64/65/82/837646582.db2.gz JHWCEWKDVLXYQD-YUELXQCFSA-N 2 2 361.475 0.228 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cscn3)[C@@H](n3ccnn3)C2)C1 ZINC001070326920 837646584 /nfs/dbraw/zinc/64/65/84/837646584.db2.gz JHWCEWKDVLXYQD-YUELXQCFSA-N 2 2 361.475 0.228 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001070354314 837648754 /nfs/dbraw/zinc/64/87/54/837648754.db2.gz BYHMJDFFGWVKMK-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001070354314 837648756 /nfs/dbraw/zinc/64/87/56/837648756.db2.gz BYHMJDFFGWVKMK-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001070354314 837648758 /nfs/dbraw/zinc/64/87/58/837648758.db2.gz BYHMJDFFGWVKMK-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001070354314 837648760 /nfs/dbraw/zinc/64/87/60/837648760.db2.gz BYHMJDFFGWVKMK-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972830 837707078 /nfs/dbraw/zinc/70/70/78/837707078.db2.gz NTGZVVTVYSZFKW-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972830 837707085 /nfs/dbraw/zinc/70/70/85/837707085.db2.gz NTGZVVTVYSZFKW-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972830 837707091 /nfs/dbraw/zinc/70/70/91/837707091.db2.gz NTGZVVTVYSZFKW-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972830 837707102 /nfs/dbraw/zinc/70/71/02/837707102.db2.gz NTGZVVTVYSZFKW-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001099341352 844033202 /nfs/dbraw/zinc/03/32/02/844033202.db2.gz AQHCEILUSNRYHU-YUSALJHKSA-N 2 2 363.409 0.969 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001099341352 844033207 /nfs/dbraw/zinc/03/32/07/844033207.db2.gz AQHCEILUSNRYHU-YUSALJHKSA-N 2 2 363.409 0.969 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)nn1 ZINC001099341480 844034105 /nfs/dbraw/zinc/03/41/05/844034105.db2.gz FOKGFJIPPDYHAN-RAIGVLPGSA-N 2 2 360.384 0.246 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)nn1 ZINC001099341480 844034109 /nfs/dbraw/zinc/03/41/09/844034109.db2.gz FOKGFJIPPDYHAN-RAIGVLPGSA-N 2 2 360.384 0.246 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3csnn3)C2)C1 ZINC001099402749 844042745 /nfs/dbraw/zinc/04/27/45/844042745.db2.gz FMNDFDHITSTLFZ-LXZKKBNFSA-N 2 2 365.503 0.587 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3csnn3)C2)C1 ZINC001099402749 844042754 /nfs/dbraw/zinc/04/27/54/844042754.db2.gz FMNDFDHITSTLFZ-LXZKKBNFSA-N 2 2 365.503 0.587 20 0 FCADLP CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388631211 836055624 /nfs/dbraw/zinc/05/56/24/836055624.db2.gz OZFAANWHUADVBT-SJORKVTESA-N 2 2 367.515 0.871 20 0 FCADLP CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388631211 836055634 /nfs/dbraw/zinc/05/56/34/836055634.db2.gz OZFAANWHUADVBT-SJORKVTESA-N 2 2 367.515 0.871 20 0 FCADLP CS(=O)(=O)N1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702573187 836100311 /nfs/dbraw/zinc/10/03/11/836100311.db2.gz KUGFQXWRAJIEHP-SJORKVTESA-N 2 2 353.488 0.247 20 0 FCADLP CS(=O)(=O)N1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702573187 836100318 /nfs/dbraw/zinc/10/03/18/836100318.db2.gz KUGFQXWRAJIEHP-SJORKVTESA-N 2 2 353.488 0.247 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000751365552 836482198 /nfs/dbraw/zinc/48/21/98/836482198.db2.gz YETDXPXSPJAYPX-UHFFFAOYSA-N 2 2 367.412 0.822 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001101429831 844184052 /nfs/dbraw/zinc/18/40/52/844184052.db2.gz BQIHFVQMOGDNQV-KDOFPFPSSA-N 2 2 350.463 0.477 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001101429831 844184055 /nfs/dbraw/zinc/18/40/55/844184055.db2.gz BQIHFVQMOGDNQV-KDOFPFPSSA-N 2 2 350.463 0.477 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643546 837876296 /nfs/dbraw/zinc/87/62/96/837876296.db2.gz BKMGGWFOMXTMAQ-ARFHVFGLSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643546 837876303 /nfs/dbraw/zinc/87/63/03/837876303.db2.gz BKMGGWFOMXTMAQ-ARFHVFGLSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643546 837876310 /nfs/dbraw/zinc/87/63/10/837876310.db2.gz BKMGGWFOMXTMAQ-ARFHVFGLSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643546 837876314 /nfs/dbraw/zinc/87/63/14/837876314.db2.gz BKMGGWFOMXTMAQ-ARFHVFGLSA-N 2 2 364.515 0.857 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161645 837964259 /nfs/dbraw/zinc/96/42/59/837964259.db2.gz RSAICIXGPSRLTB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161645 837964267 /nfs/dbraw/zinc/96/42/67/837964267.db2.gz RSAICIXGPSRLTB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161645 837964271 /nfs/dbraw/zinc/96/42/71/837964271.db2.gz RSAICIXGPSRLTB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161645 837964275 /nfs/dbraw/zinc/96/42/75/837964275.db2.gz RSAICIXGPSRLTB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076633370 838034075 /nfs/dbraw/zinc/03/40/75/838034075.db2.gz KSWGMGBYBFCBEB-OWCLPIDISA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076633370 838034082 /nfs/dbraw/zinc/03/40/82/838034082.db2.gz KSWGMGBYBFCBEB-OWCLPIDISA-N 2 2 366.487 0.241 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ns3)C[C@H]2O)CC[N@@H+]1C ZINC001077027859 838226672 /nfs/dbraw/zinc/22/66/72/838226672.db2.gz SRUJDCIKRRDGMJ-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ns3)C[C@H]2O)CC[N@H+]1C ZINC001077027859 838226684 /nfs/dbraw/zinc/22/66/84/838226684.db2.gz SRUJDCIKRRDGMJ-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2O)CC[NH+]1C ZINC001077027859 838226697 /nfs/dbraw/zinc/22/66/97/838226697.db2.gz SRUJDCIKRRDGMJ-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2O)CC[NH+]1C ZINC001077027859 838226716 /nfs/dbraw/zinc/22/67/16/838226716.db2.gz SRUJDCIKRRDGMJ-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132365 838758851 /nfs/dbraw/zinc/75/88/51/838758851.db2.gz VJXWHYVSBDRXTM-BZUAXINKSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132365 838758858 /nfs/dbraw/zinc/75/88/58/838758858.db2.gz VJXWHYVSBDRXTM-BZUAXINKSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132365 838758868 /nfs/dbraw/zinc/75/88/68/838758868.db2.gz VJXWHYVSBDRXTM-BZUAXINKSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132365 838758877 /nfs/dbraw/zinc/75/88/77/838758877.db2.gz VJXWHYVSBDRXTM-BZUAXINKSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)s1 ZINC001077565347 839039197 /nfs/dbraw/zinc/03/91/97/839039197.db2.gz DWWKTZNBKYPXLN-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)s1 ZINC001077565347 839039210 /nfs/dbraw/zinc/03/92/10/839039210.db2.gz DWWKTZNBKYPXLN-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)s1 ZINC001077565347 839039223 /nfs/dbraw/zinc/03/92/23/839039223.db2.gz DWWKTZNBKYPXLN-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)s1 ZINC001077565347 839039233 /nfs/dbraw/zinc/03/92/33/839039233.db2.gz DWWKTZNBKYPXLN-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077678915 839105218 /nfs/dbraw/zinc/10/52/18/839105218.db2.gz AWNCZCZMMFBAMU-JCURWCKSSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077678915 839105225 /nfs/dbraw/zinc/10/52/25/839105225.db2.gz AWNCZCZMMFBAMU-JCURWCKSSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077678915 839105233 /nfs/dbraw/zinc/10/52/33/839105233.db2.gz AWNCZCZMMFBAMU-JCURWCKSSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077678915 839105242 /nfs/dbraw/zinc/10/52/42/839105242.db2.gz AWNCZCZMMFBAMU-JCURWCKSSA-N 2 2 350.463 0.549 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)s1 ZINC001077679355 839107286 /nfs/dbraw/zinc/10/72/86/839107286.db2.gz PQEPPRISCKXPTF-KCPJHIHWSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)s1 ZINC001077679355 839107293 /nfs/dbraw/zinc/10/72/93/839107293.db2.gz PQEPPRISCKXPTF-KCPJHIHWSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001077679355 839107300 /nfs/dbraw/zinc/10/73/00/839107300.db2.gz PQEPPRISCKXPTF-KCPJHIHWSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001077679355 839107304 /nfs/dbraw/zinc/10/73/04/839107304.db2.gz PQEPPRISCKXPTF-KCPJHIHWSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)C2 ZINC001077682914 839110873 /nfs/dbraw/zinc/11/08/73/839110873.db2.gz RAPHQMPHYJYAAO-IACUBPJLSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)C2 ZINC001077682914 839110879 /nfs/dbraw/zinc/11/08/79/839110879.db2.gz RAPHQMPHYJYAAO-IACUBPJLSA-N 2 2 360.380 0.868 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001102105553 844416408 /nfs/dbraw/zinc/41/64/08/844416408.db2.gz VHBFSJJJSAOBRB-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001102105553 844416415 /nfs/dbraw/zinc/41/64/15/844416415.db2.gz VHBFSJJJSAOBRB-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078179960 839383658 /nfs/dbraw/zinc/38/36/58/839383658.db2.gz HBVAQBPPHAQRNV-YNEHKIRRSA-N 2 2 350.290 0.827 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078179960 839383669 /nfs/dbraw/zinc/38/36/69/839383669.db2.gz HBVAQBPPHAQRNV-YNEHKIRRSA-N 2 2 350.290 0.827 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209510 839405503 /nfs/dbraw/zinc/40/55/03/839405503.db2.gz HXTMGWYNTDIUKT-ZACQAIPSSA-N 2 2 367.515 0.563 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209510 839405512 /nfs/dbraw/zinc/40/55/12/839405512.db2.gz HXTMGWYNTDIUKT-ZACQAIPSSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209510 839405522 /nfs/dbraw/zinc/40/55/22/839405522.db2.gz HXTMGWYNTDIUKT-ZACQAIPSSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001078209510 839405528 /nfs/dbraw/zinc/40/55/28/839405528.db2.gz HXTMGWYNTDIUKT-ZACQAIPSSA-N 2 2 367.515 0.563 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177341 844435235 /nfs/dbraw/zinc/43/52/35/844435235.db2.gz TVYOOXAZKDKRLH-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177341 844435238 /nfs/dbraw/zinc/43/52/38/844435238.db2.gz TVYOOXAZKDKRLH-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001078272071 839439593 /nfs/dbraw/zinc/43/95/93/839439593.db2.gz GCAKWYAPEDFSGZ-HZPDHXFCSA-N 2 2 364.833 0.777 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001078272071 839439599 /nfs/dbraw/zinc/43/95/99/839439599.db2.gz GCAKWYAPEDFSGZ-HZPDHXFCSA-N 2 2 364.833 0.777 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079968706 839634325 /nfs/dbraw/zinc/63/43/25/839634325.db2.gz MHFGBVPVNRHOGF-OIISXLGYSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079968706 839634337 /nfs/dbraw/zinc/63/43/37/839634337.db2.gz MHFGBVPVNRHOGF-OIISXLGYSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079968706 839634342 /nfs/dbraw/zinc/63/43/42/839634342.db2.gz MHFGBVPVNRHOGF-OIISXLGYSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079968706 839634350 /nfs/dbraw/zinc/63/43/50/839634350.db2.gz MHFGBVPVNRHOGF-OIISXLGYSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080446760 839726639 /nfs/dbraw/zinc/72/66/39/839726639.db2.gz QAFZYVCCQLGLDO-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080446760 839726644 /nfs/dbraw/zinc/72/66/44/839726644.db2.gz QAFZYVCCQLGLDO-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080446760 839726654 /nfs/dbraw/zinc/72/66/54/839726654.db2.gz QAFZYVCCQLGLDO-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080446760 839726660 /nfs/dbraw/zinc/72/66/60/839726660.db2.gz QAFZYVCCQLGLDO-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001080624397 839766498 /nfs/dbraw/zinc/76/64/98/839766498.db2.gz ZLRBWQAMNYPPSN-RHSMWYFYSA-N 2 2 367.515 0.843 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001080624397 839766501 /nfs/dbraw/zinc/76/65/01/839766501.db2.gz ZLRBWQAMNYPPSN-RHSMWYFYSA-N 2 2 367.515 0.843 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001080667431 839774181 /nfs/dbraw/zinc/77/41/81/839774181.db2.gz DHDJBOOTJDMSLG-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001080667431 839774186 /nfs/dbraw/zinc/77/41/86/839774186.db2.gz DHDJBOOTJDMSLG-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)[NH+](CC)CC ZINC001102356288 844473554 /nfs/dbraw/zinc/47/35/54/844473554.db2.gz DBTJYIUDHAHLCL-RBSFLKMASA-N 2 2 351.499 0.515 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)[NH+](CC)CC ZINC001102356288 844473558 /nfs/dbraw/zinc/47/35/58/844473558.db2.gz DBTJYIUDHAHLCL-RBSFLKMASA-N 2 2 351.499 0.515 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943252 839840099 /nfs/dbraw/zinc/84/00/99/839840099.db2.gz XYMPHPXOWYDMAZ-BZUAXINKSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943252 839840110 /nfs/dbraw/zinc/84/01/10/839840110.db2.gz XYMPHPXOWYDMAZ-BZUAXINKSA-N 2 2 357.520 0.344 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976709 839851484 /nfs/dbraw/zinc/85/14/84/839851484.db2.gz GSNLLZPEIATUTC-VMGRFDJRSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976709 839851490 /nfs/dbraw/zinc/85/14/90/839851490.db2.gz GSNLLZPEIATUTC-VMGRFDJRSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976709 839851499 /nfs/dbraw/zinc/85/14/99/839851499.db2.gz GSNLLZPEIATUTC-VMGRFDJRSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976709 839851509 /nfs/dbraw/zinc/85/15/09/839851509.db2.gz GSNLLZPEIATUTC-VMGRFDJRSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976776 839851542 /nfs/dbraw/zinc/85/15/42/839851542.db2.gz JEPIXLIMIFFLPM-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976776 839851549 /nfs/dbraw/zinc/85/15/49/839851549.db2.gz JEPIXLIMIFFLPM-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976776 839851556 /nfs/dbraw/zinc/85/15/56/839851556.db2.gz JEPIXLIMIFFLPM-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976776 839851562 /nfs/dbraw/zinc/85/15/62/839851562.db2.gz JEPIXLIMIFFLPM-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686160 839999540 /nfs/dbraw/zinc/99/95/40/839999540.db2.gz IFMDVKJIZNWDBY-WYVSAIIBSA-N 2 2 355.870 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686160 839999551 /nfs/dbraw/zinc/99/95/51/839999551.db2.gz IFMDVKJIZNWDBY-WYVSAIIBSA-N 2 2 355.870 0.626 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001081844311 840062179 /nfs/dbraw/zinc/06/21/79/840062179.db2.gz ILUQFCNRQKEIBZ-BZUAXINKSA-N 2 2 350.463 0.779 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001081844311 840062188 /nfs/dbraw/zinc/06/21/88/840062188.db2.gz ILUQFCNRQKEIBZ-BZUAXINKSA-N 2 2 350.463 0.779 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001082138037 840207513 /nfs/dbraw/zinc/20/75/13/840207513.db2.gz MPKSVTIFUDAKPQ-HZPDHXFCSA-N 2 2 352.435 0.082 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001082138037 840207529 /nfs/dbraw/zinc/20/75/29/840207529.db2.gz MPKSVTIFUDAKPQ-HZPDHXFCSA-N 2 2 352.435 0.082 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCC1 ZINC001082327937 840312399 /nfs/dbraw/zinc/31/23/99/840312399.db2.gz WWEBWSVKRHNFKG-IXDOHACOSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCC1 ZINC001082327937 840312411 /nfs/dbraw/zinc/31/24/11/840312411.db2.gz WWEBWSVKRHNFKG-IXDOHACOSA-N 2 2 350.463 0.593 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379451 840370627 /nfs/dbraw/zinc/37/06/27/840370627.db2.gz YDJVEDJIQRRHCP-UPJWGTAASA-N 2 2 353.385 0.475 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379451 840370633 /nfs/dbraw/zinc/37/06/33/840370633.db2.gz YDJVEDJIQRRHCP-UPJWGTAASA-N 2 2 353.385 0.475 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379451 840370644 /nfs/dbraw/zinc/37/06/44/840370644.db2.gz YDJVEDJIQRRHCP-UPJWGTAASA-N 2 2 353.385 0.475 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379451 840370653 /nfs/dbraw/zinc/37/06/53/840370653.db2.gz YDJVEDJIQRRHCP-UPJWGTAASA-N 2 2 353.385 0.475 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)sn1 ZINC001082458469 840420645 /nfs/dbraw/zinc/42/06/45/840420645.db2.gz QCBPHBVTJTUODB-MRVWCRGKSA-N 2 2 354.476 0.419 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)sn1 ZINC001082458469 840420651 /nfs/dbraw/zinc/42/06/51/840420651.db2.gz QCBPHBVTJTUODB-MRVWCRGKSA-N 2 2 354.476 0.419 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1nncs1 ZINC001082557717 840465310 /nfs/dbraw/zinc/46/53/10/840465310.db2.gz AZSQGXMAYSKELH-MCIONIFRSA-N 2 2 363.491 0.302 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001082590337 840479484 /nfs/dbraw/zinc/47/94/84/840479484.db2.gz QIVIUAPTGJEBFB-QHSBEEBCSA-N 2 2 352.435 0.339 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001082590337 840479488 /nfs/dbraw/zinc/47/94/88/840479488.db2.gz QIVIUAPTGJEBFB-QHSBEEBCSA-N 2 2 352.435 0.339 20 0 FCADLP Cc1nc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)no1 ZINC001102513218 844544386 /nfs/dbraw/zinc/54/43/86/844544386.db2.gz ALVWBTZWVJSWFQ-UMVBOHGHSA-N 2 2 353.467 0.701 20 0 FCADLP Cc1nc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)no1 ZINC001102513218 844544392 /nfs/dbraw/zinc/54/43/92/844544392.db2.gz ALVWBTZWVJSWFQ-UMVBOHGHSA-N 2 2 353.467 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082658874 840512102 /nfs/dbraw/zinc/51/21/02/840512102.db2.gz DKRSKIRZZLJIHW-RBSFLKMASA-N 2 2 368.503 0.224 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703124 840530991 /nfs/dbraw/zinc/53/09/91/840530991.db2.gz ZJUQIVZWNZCKCX-BPLDGKMQSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703124 840530997 /nfs/dbraw/zinc/53/09/97/840530997.db2.gz ZJUQIVZWNZCKCX-BPLDGKMQSA-N 2 2 351.451 0.424 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082766853 840548276 /nfs/dbraw/zinc/54/82/76/840548276.db2.gz FIMYPEFGZCIXQF-BXUZGUMPSA-N 2 2 366.443 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082798345 840562657 /nfs/dbraw/zinc/56/26/57/840562657.db2.gz ORRBTFKJQJOTGW-IUODEOHRSA-N 2 2 363.491 0.547 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)on1 ZINC001082807397 840569877 /nfs/dbraw/zinc/56/98/77/840569877.db2.gz FTHUBPDKLMGIAR-UKRRQHHQSA-N 2 2 352.435 0.342 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082861609 840586449 /nfs/dbraw/zinc/58/64/49/840586449.db2.gz IEKUQVHACYILGK-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082861609 840586456 /nfs/dbraw/zinc/58/64/56/840586456.db2.gz IEKUQVHACYILGK-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083126847 840734590 /nfs/dbraw/zinc/73/45/90/840734590.db2.gz NMCXMDNRNDNKCL-UHOFOFEASA-N 2 2 352.435 0.296 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083126847 840734599 /nfs/dbraw/zinc/73/45/99/840734599.db2.gz NMCXMDNRNDNKCL-UHOFOFEASA-N 2 2 352.435 0.296 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]21 ZINC001083214251 840803222 /nfs/dbraw/zinc/80/32/22/840803222.db2.gz QGXXVKRKSJNUKN-OWCLPIDISA-N 2 2 350.463 0.689 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]21 ZINC001083214251 840803227 /nfs/dbraw/zinc/80/32/27/840803227.db2.gz QGXXVKRKSJNUKN-OWCLPIDISA-N 2 2 350.463 0.689 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274413 840853689 /nfs/dbraw/zinc/85/36/89/840853689.db2.gz KOFVXVWQRDVULX-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274413 840853704 /nfs/dbraw/zinc/85/37/04/840853704.db2.gz KOFVXVWQRDVULX-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274413 840853717 /nfs/dbraw/zinc/85/37/17/840853717.db2.gz KOFVXVWQRDVULX-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274413 840853728 /nfs/dbraw/zinc/85/37/28/840853728.db2.gz KOFVXVWQRDVULX-QLFBSQMISA-N 2 2 350.488 0.815 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616582 844604836 /nfs/dbraw/zinc/60/48/36/844604836.db2.gz IALNRWNTMLIOHM-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616582 844604844 /nfs/dbraw/zinc/60/48/44/844604844.db2.gz IALNRWNTMLIOHM-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616624 844605433 /nfs/dbraw/zinc/60/54/33/844605433.db2.gz KXQKWTPXNKDEDD-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616624 844605434 /nfs/dbraw/zinc/60/54/34/844605434.db2.gz KXQKWTPXNKDEDD-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001083696227 841326734 /nfs/dbraw/zinc/32/67/34/841326734.db2.gz PYQUVJYXIKVFBG-CABCVRRESA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001083696227 841326746 /nfs/dbraw/zinc/32/67/46/841326746.db2.gz PYQUVJYXIKVFBG-CABCVRRESA-N 2 2 350.463 0.827 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001275799904 861196143 /nfs/dbraw/zinc/19/61/43/861196143.db2.gz OUZNRUHSYLRYOZ-RRFJBIMHSA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001275799904 861196148 /nfs/dbraw/zinc/19/61/48/861196148.db2.gz OUZNRUHSYLRYOZ-RRFJBIMHSA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)[C@@H]2C1 ZINC001275799904 861196153 /nfs/dbraw/zinc/19/61/53/861196153.db2.gz OUZNRUHSYLRYOZ-RRFJBIMHSA-N 2 2 350.488 0.551 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083826154 841466772 /nfs/dbraw/zinc/46/67/72/841466772.db2.gz DBBDNGKMVYRXNE-XHSDSOJGSA-N 2 2 350.463 0.737 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083826154 841466776 /nfs/dbraw/zinc/46/67/76/841466776.db2.gz DBBDNGKMVYRXNE-XHSDSOJGSA-N 2 2 350.463 0.737 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001083953953 841601509 /nfs/dbraw/zinc/60/15/09/841601509.db2.gz DUXNCCIYFUITRR-ZACQAIPSSA-N 2 2 350.463 0.065 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001083953953 841601514 /nfs/dbraw/zinc/60/15/14/841601514.db2.gz DUXNCCIYFUITRR-ZACQAIPSSA-N 2 2 350.463 0.065 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054138 841668142 /nfs/dbraw/zinc/66/81/42/841668142.db2.gz YERZYCUKGDTKTL-JLZZUVOBSA-N 2 2 353.413 0.620 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054138 841668144 /nfs/dbraw/zinc/66/81/44/841668144.db2.gz YERZYCUKGDTKTL-JLZZUVOBSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054138 841668148 /nfs/dbraw/zinc/66/81/48/841668148.db2.gz YERZYCUKGDTKTL-JLZZUVOBSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3c(F)cccc3F)C[C@@H]2O)C1 ZINC001084054138 841668151 /nfs/dbraw/zinc/66/81/51/841668151.db2.gz YERZYCUKGDTKTL-JLZZUVOBSA-N 2 2 353.413 0.620 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001084058817 841673186 /nfs/dbraw/zinc/67/31/86/841673186.db2.gz KQBCFWJUSSAMPH-SJORKVTESA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001084058817 841673188 /nfs/dbraw/zinc/67/31/88/841673188.db2.gz KQBCFWJUSSAMPH-SJORKVTESA-N 2 2 351.422 0.462 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091119 841699560 /nfs/dbraw/zinc/69/95/60/841699560.db2.gz ZGUGHXJZGRHIFQ-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091119 841699569 /nfs/dbraw/zinc/69/95/69/841699569.db2.gz ZGUGHXJZGRHIFQ-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091119 841699570 /nfs/dbraw/zinc/69/95/70/841699570.db2.gz ZGUGHXJZGRHIFQ-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001084091119 841699577 /nfs/dbraw/zinc/69/95/77/841699577.db2.gz ZGUGHXJZGRHIFQ-ZACQAIPSSA-N 2 2 350.463 0.827 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345103 841773547 /nfs/dbraw/zinc/77/35/47/841773547.db2.gz UNQQHWCEDJCPKA-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345103 841773550 /nfs/dbraw/zinc/77/35/50/841773550.db2.gz UNQQHWCEDJCPKA-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cncs4)C[C@H]32)O1 ZINC001084447375 841795712 /nfs/dbraw/zinc/79/57/12/841795712.db2.gz KMZPIJLMOOCZIM-RRCSTGOVSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cncs4)C[C@H]32)O1 ZINC001084447375 841795724 /nfs/dbraw/zinc/79/57/24/841795724.db2.gz KMZPIJLMOOCZIM-RRCSTGOVSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cncs4)C[C@H]32)O1 ZINC001084447375 841795736 /nfs/dbraw/zinc/79/57/36/841795736.db2.gz KMZPIJLMOOCZIM-RRCSTGOVSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cncs4)C[C@H]32)O1 ZINC001084447375 841795743 /nfs/dbraw/zinc/79/57/43/841795743.db2.gz KMZPIJLMOOCZIM-RRCSTGOVSA-N 2 2 350.488 0.895 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001084831802 841925896 /nfs/dbraw/zinc/92/58/96/841925896.db2.gz ZZHMRDLZMQGMJQ-BRWVUGGUSA-N 2 2 369.531 0.440 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001084831802 841925902 /nfs/dbraw/zinc/92/59/02/841925902.db2.gz ZZHMRDLZMQGMJQ-BRWVUGGUSA-N 2 2 369.531 0.440 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)O1 ZINC001085242706 842053261 /nfs/dbraw/zinc/05/32/61/842053261.db2.gz DAAKVSKNJVRVQB-DTZQCDIJSA-N 2 2 350.467 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)O1 ZINC001085242706 842053271 /nfs/dbraw/zinc/05/32/71/842053271.db2.gz DAAKVSKNJVRVQB-DTZQCDIJSA-N 2 2 350.467 0.051 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2csnn2)O1 ZINC001085243180 842055046 /nfs/dbraw/zinc/05/50/46/842055046.db2.gz YFHCSFLFIHQLEH-NMFUWQPSSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2csnn2)O1 ZINC001085243180 842055059 /nfs/dbraw/zinc/05/50/59/842055059.db2.gz YFHCSFLFIHQLEH-NMFUWQPSSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)O1 ZINC001085243083 842055744 /nfs/dbraw/zinc/05/57/44/842055744.db2.gz UPORUMNHRYSNET-DTZQCDIJSA-N 2 2 350.467 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)O1 ZINC001085243083 842055755 /nfs/dbraw/zinc/05/57/55/842055755.db2.gz UPORUMNHRYSNET-DTZQCDIJSA-N 2 2 350.467 0.051 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001085307649 842074262 /nfs/dbraw/zinc/07/42/62/842074262.db2.gz JHNDGHYCOOBPBL-OAGGEKHMSA-N 2 2 352.479 0.132 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001085307649 842074269 /nfs/dbraw/zinc/07/42/69/842074269.db2.gz JHNDGHYCOOBPBL-OAGGEKHMSA-N 2 2 352.479 0.132 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCc2ccns2)O1 ZINC001085671002 842111850 /nfs/dbraw/zinc/11/18/50/842111850.db2.gz KVUCNWPAFMSCMJ-IIAWOOMASA-N 2 2 352.504 0.937 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCc2ccns2)O1 ZINC001085671002 842111853 /nfs/dbraw/zinc/11/18/53/842111853.db2.gz KVUCNWPAFMSCMJ-IIAWOOMASA-N 2 2 352.504 0.937 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCc2ccns2)O1 ZINC001085671002 842111855 /nfs/dbraw/zinc/11/18/55/842111855.db2.gz KVUCNWPAFMSCMJ-IIAWOOMASA-N 2 2 352.504 0.937 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCc2ccns2)O1 ZINC001085671002 842111858 /nfs/dbraw/zinc/11/18/58/842111858.db2.gz KVUCNWPAFMSCMJ-IIAWOOMASA-N 2 2 352.504 0.937 20 0 FCADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737757 842112835 /nfs/dbraw/zinc/11/28/35/842112835.db2.gz WXRAEMCSLWFNEW-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737757 842112839 /nfs/dbraw/zinc/11/28/39/842112839.db2.gz WXRAEMCSLWFNEW-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001086120637 842122243 /nfs/dbraw/zinc/12/22/43/842122243.db2.gz HESHSEXIVQDKPD-BQDHKBFISA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001086120637 842122251 /nfs/dbraw/zinc/12/22/51/842122251.db2.gz HESHSEXIVQDKPD-BQDHKBFISA-N 2 2 350.463 0.995 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087096796 842286895 /nfs/dbraw/zinc/28/68/95/842286895.db2.gz DWJGZDBOECNFOW-BFYDXBDKSA-N 2 2 350.463 0.452 20 0 FCADLP Cc1nnsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141507 842299353 /nfs/dbraw/zinc/29/93/53/842299353.db2.gz OHJIALXQAOTTSV-SNPRPXQTSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141507 842299363 /nfs/dbraw/zinc/29/93/63/842299363.db2.gz OHJIALXQAOTTSV-SNPRPXQTSA-N 2 2 367.519 0.894 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2cnns2)C1 ZINC001087141418 842299771 /nfs/dbraw/zinc/29/97/71/842299771.db2.gz LMZKDHKHGUAUGV-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2cnns2)C1 ZINC001087141418 842299781 /nfs/dbraw/zinc/29/97/81/842299781.db2.gz LMZKDHKHGUAUGV-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087642270 842390838 /nfs/dbraw/zinc/39/08/38/842390838.db2.gz FEHFUUFHQKHYBS-JKSUJKDBSA-N 2 2 364.471 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CCS(C)(=O)=O ZINC001087642270 842390854 /nfs/dbraw/zinc/39/08/54/842390854.db2.gz FEHFUUFHQKHYBS-JKSUJKDBSA-N 2 2 364.471 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087750004 842421671 /nfs/dbraw/zinc/42/16/71/842421671.db2.gz MUGILVJYDMTLBJ-JKSUJKDBSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1CCS(C)(=O)=O ZINC001087750004 842421676 /nfs/dbraw/zinc/42/16/76/842421676.db2.gz MUGILVJYDMTLBJ-JKSUJKDBSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087810589 842435596 /nfs/dbraw/zinc/43/55/96/842435596.db2.gz BIFBNQHPKWTULO-IJEWVQPXSA-N 2 2 368.503 0.664 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087810589 842435601 /nfs/dbraw/zinc/43/56/01/842435601.db2.gz BIFBNQHPKWTULO-IJEWVQPXSA-N 2 2 368.503 0.664 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506041 842593274 /nfs/dbraw/zinc/59/32/74/842593274.db2.gz FMHFDQULFFAMTR-UKPHBRMFSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506041 842593277 /nfs/dbraw/zinc/59/32/77/842593277.db2.gz FMHFDQULFFAMTR-UKPHBRMFSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506041 842593281 /nfs/dbraw/zinc/59/32/81/842593281.db2.gz FMHFDQULFFAMTR-UKPHBRMFSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506041 842593283 /nfs/dbraw/zinc/59/32/83/842593283.db2.gz FMHFDQULFFAMTR-UKPHBRMFSA-N 2 2 350.463 0.955 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCS(C)(=O)=O ZINC001088655907 842643288 /nfs/dbraw/zinc/64/32/88/842643288.db2.gz XSCRXTFCRQMCLU-CABCVRRESA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCS(C)(=O)=O ZINC001088655907 842643294 /nfs/dbraw/zinc/64/32/94/842643294.db2.gz XSCRXTFCRQMCLU-CABCVRRESA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088860664 842698589 /nfs/dbraw/zinc/69/85/89/842698589.db2.gz WQJUEDMELUGODO-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088860664 842698596 /nfs/dbraw/zinc/69/85/96/842698596.db2.gz WQJUEDMELUGODO-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001088860664 842698603 /nfs/dbraw/zinc/69/86/03/842698603.db2.gz WQJUEDMELUGODO-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N1CCCC1 ZINC001088860664 842698609 /nfs/dbraw/zinc/69/86/09/842698609.db2.gz WQJUEDMELUGODO-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001089041335 842751018 /nfs/dbraw/zinc/75/10/18/842751018.db2.gz PZCOREVMPAHBPM-CJNGLKHVSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)[C@@H]1C ZINC001089041335 842751031 /nfs/dbraw/zinc/75/10/31/842751031.db2.gz PZCOREVMPAHBPM-CJNGLKHVSA-N 2 2 368.503 0.595 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252816 861376598 /nfs/dbraw/zinc/37/65/98/861376598.db2.gz ZVMKZQIYZVEWHG-DYVFJYSZSA-N 2 2 350.419 0.033 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252816 861376607 /nfs/dbraw/zinc/37/66/07/861376607.db2.gz ZVMKZQIYZVEWHG-DYVFJYSZSA-N 2 2 350.419 0.033 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOC)C[C@@]2(C)C1 ZINC001091881650 843118577 /nfs/dbraw/zinc/11/85/77/843118577.db2.gz SVCATHYPAOBFNG-AOIWGVFYSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOC)C[C@@]2(C)C1 ZINC001091881650 843118581 /nfs/dbraw/zinc/11/85/81/843118581.db2.gz SVCATHYPAOBFNG-AOIWGVFYSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOC)C[C@@]2(C)C1 ZINC001091881650 843118583 /nfs/dbraw/zinc/11/85/83/843118583.db2.gz SVCATHYPAOBFNG-AOIWGVFYSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOC)C[C@@]2(C)C1 ZINC001091881650 843118586 /nfs/dbraw/zinc/11/85/86/843118586.db2.gz SVCATHYPAOBFNG-AOIWGVFYSA-N 2 2 353.507 0.914 20 0 FCADLP CCc1cnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092522067 843226777 /nfs/dbraw/zinc/22/67/77/843226777.db2.gz KFKCIGTWUPRHHD-FMKPAKJESA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092522067 843226788 /nfs/dbraw/zinc/22/67/88/843226788.db2.gz KFKCIGTWUPRHHD-FMKPAKJESA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092522067 843226798 /nfs/dbraw/zinc/22/67/98/843226798.db2.gz KFKCIGTWUPRHHD-FMKPAKJESA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092522067 843226805 /nfs/dbraw/zinc/22/68/05/843226805.db2.gz KFKCIGTWUPRHHD-FMKPAKJESA-N 2 2 350.463 0.752 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092524266 843230356 /nfs/dbraw/zinc/23/03/56/843230356.db2.gz VJWWLFOAQPYYMY-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092524266 843230365 /nfs/dbraw/zinc/23/03/65/843230365.db2.gz VJWWLFOAQPYYMY-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092524266 843230376 /nfs/dbraw/zinc/23/03/76/843230376.db2.gz VJWWLFOAQPYYMY-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092524266 843230386 /nfs/dbraw/zinc/23/03/86/843230386.db2.gz VJWWLFOAQPYYMY-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP COCC[N@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855705 843321972 /nfs/dbraw/zinc/32/19/72/843321972.db2.gz ROYXYXGFQCEZBS-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855705 843321980 /nfs/dbraw/zinc/32/19/80/843321980.db2.gz ROYXYXGFQCEZBS-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855705 843321991 /nfs/dbraw/zinc/32/19/91/843321991.db2.gz ROYXYXGFQCEZBS-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855705 843321999 /nfs/dbraw/zinc/32/19/99/843321999.db2.gz ROYXYXGFQCEZBS-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP COCOCCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276312092 861407064 /nfs/dbraw/zinc/40/70/64/861407064.db2.gz ISLLFDFHKBIWEC-KRWDZBQOSA-N 2 2 352.435 0.197 20 0 FCADLP COCOCCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276312092 861407076 /nfs/dbraw/zinc/40/70/76/861407076.db2.gz ISLLFDFHKBIWEC-KRWDZBQOSA-N 2 2 352.435 0.197 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193416 843404499 /nfs/dbraw/zinc/40/44/99/843404499.db2.gz IMVAKXDWMAXBTM-HZSPNIEDSA-N 2 2 365.503 0.717 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193416 843404508 /nfs/dbraw/zinc/40/45/08/843404508.db2.gz IMVAKXDWMAXBTM-HZSPNIEDSA-N 2 2 365.503 0.717 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193416 843404511 /nfs/dbraw/zinc/40/45/11/843404511.db2.gz IMVAKXDWMAXBTM-HZSPNIEDSA-N 2 2 365.503 0.717 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193416 843404519 /nfs/dbraw/zinc/40/45/19/843404519.db2.gz IMVAKXDWMAXBTM-HZSPNIEDSA-N 2 2 365.503 0.717 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208688 843407095 /nfs/dbraw/zinc/40/70/95/843407095.db2.gz AYLOHSALJPLEPW-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208688 843407102 /nfs/dbraw/zinc/40/71/02/843407102.db2.gz AYLOHSALJPLEPW-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208688 843407105 /nfs/dbraw/zinc/40/71/05/843407105.db2.gz AYLOHSALJPLEPW-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208688 843407111 /nfs/dbraw/zinc/40/71/11/843407111.db2.gz AYLOHSALJPLEPW-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209228 843408904 /nfs/dbraw/zinc/40/89/04/843408904.db2.gz YTAOPPNTKWJANV-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209228 843408909 /nfs/dbraw/zinc/40/89/09/843408909.db2.gz YTAOPPNTKWJANV-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209228 843408911 /nfs/dbraw/zinc/40/89/11/843408911.db2.gz YTAOPPNTKWJANV-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001093209228 843408913 /nfs/dbraw/zinc/40/89/13/843408913.db2.gz YTAOPPNTKWJANV-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094114157 843518180 /nfs/dbraw/zinc/51/81/80/843518180.db2.gz WEKMXLPVEQXWLX-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001094221137 843532397 /nfs/dbraw/zinc/53/23/97/843532397.db2.gz RZQQAOMRMFFYNS-ZIAGYGMSSA-N 2 2 366.535 0.884 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCc1ccc(F)c(F)c1)C2 ZINC001276376367 861434972 /nfs/dbraw/zinc/43/49/72/861434972.db2.gz WALXXFBGYVDDIU-UHFFFAOYSA-N 2 2 353.413 0.982 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001096545604 843800324 /nfs/dbraw/zinc/80/03/24/843800324.db2.gz HRGHYVQJABTEES-NCOADZHNSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001096545604 843800339 /nfs/dbraw/zinc/80/03/39/843800339.db2.gz HRGHYVQJABTEES-NCOADZHNSA-N 2 2 369.531 0.629 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001097405699 843864365 /nfs/dbraw/zinc/86/43/65/843864365.db2.gz PORUSDUQSHBNAE-WCXIOVBPSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001097405699 843864375 /nfs/dbraw/zinc/86/43/75/843864375.db2.gz PORUSDUQSHBNAE-WCXIOVBPSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001097405699 843864383 /nfs/dbraw/zinc/86/43/83/843864383.db2.gz PORUSDUQSHBNAE-WCXIOVBPSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001097405699 843864392 /nfs/dbraw/zinc/86/43/92/843864392.db2.gz PORUSDUQSHBNAE-WCXIOVBPSA-N 2 2 350.507 0.917 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097852166 843887722 /nfs/dbraw/zinc/88/77/22/843887722.db2.gz XUQXZDSEUPOUBX-ZUMXRPEOSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097852166 843887731 /nfs/dbraw/zinc/88/77/31/843887731.db2.gz XUQXZDSEUPOUBX-ZUMXRPEOSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097852166 843887741 /nfs/dbraw/zinc/88/77/41/843887741.db2.gz XUQXZDSEUPOUBX-ZUMXRPEOSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097852166 843887749 /nfs/dbraw/zinc/88/77/49/843887749.db2.gz XUQXZDSEUPOUBX-ZUMXRPEOSA-N 2 2 354.470 0.666 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001098400583 843914654 /nfs/dbraw/zinc/91/46/54/843914654.db2.gz FOHZSVCZCLEODE-VQHPVUNQSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001098400583 843914661 /nfs/dbraw/zinc/91/46/61/843914661.db2.gz FOHZSVCZCLEODE-VQHPVUNQSA-N 2 2 369.531 0.629 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCc2ccns2)C3)C1 ZINC001098773959 843935059 /nfs/dbraw/zinc/93/50/59/843935059.db2.gz SBPIKEIVENBNCN-LESCRADOSA-N 2 2 364.515 0.987 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCc2ccns2)C3)C1 ZINC001098773959 843935066 /nfs/dbraw/zinc/93/50/66/843935066.db2.gz SBPIKEIVENBNCN-LESCRADOSA-N 2 2 364.515 0.987 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCc2ccns2)C3)C1 ZINC001098773959 843935074 /nfs/dbraw/zinc/93/50/74/843935074.db2.gz SBPIKEIVENBNCN-LESCRADOSA-N 2 2 364.515 0.987 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCc2ccns2)C3)C1 ZINC001098773959 843935081 /nfs/dbraw/zinc/93/50/81/843935081.db2.gz SBPIKEIVENBNCN-LESCRADOSA-N 2 2 364.515 0.987 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C(F)(F)F)nn1 ZINC001099222999 843978351 /nfs/dbraw/zinc/97/83/51/843978351.db2.gz BNVAQUVOBKETIA-JHJVBQTASA-N 2 2 360.384 0.388 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C(F)(F)F)nn1 ZINC001099222999 843978355 /nfs/dbraw/zinc/97/83/55/843978355.db2.gz BNVAQUVOBKETIA-JHJVBQTASA-N 2 2 360.384 0.388 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)C2 ZINC001099272368 843999058 /nfs/dbraw/zinc/99/90/58/843999058.db2.gz HTZSUIDEWQZBQN-MISXGVKJSA-N 2 2 360.380 0.794 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)CC2 ZINC001099272368 843999064 /nfs/dbraw/zinc/99/90/64/843999064.db2.gz HTZSUIDEWQZBQN-MISXGVKJSA-N 2 2 360.380 0.794 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819647 844653118 /nfs/dbraw/zinc/65/31/18/844653118.db2.gz YREWWVYRIWOGCG-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819647 844653119 /nfs/dbraw/zinc/65/31/19/844653119.db2.gz YREWWVYRIWOGCG-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819647 844653122 /nfs/dbraw/zinc/65/31/22/844653122.db2.gz YREWWVYRIWOGCG-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819647 844653124 /nfs/dbraw/zinc/65/31/24/844653124.db2.gz YREWWVYRIWOGCG-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819411 844653400 /nfs/dbraw/zinc/65/34/00/844653400.db2.gz SQLLDWFDAHTCRS-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001102819411 844653403 /nfs/dbraw/zinc/65/34/03/844653403.db2.gz SQLLDWFDAHTCRS-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001102819411 844653409 /nfs/dbraw/zinc/65/34/09/844653409.db2.gz SQLLDWFDAHTCRS-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001102819411 844653412 /nfs/dbraw/zinc/65/34/12/844653412.db2.gz SQLLDWFDAHTCRS-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102924921 844667922 /nfs/dbraw/zinc/66/79/22/844667922.db2.gz AIHGLXHCCCQNRJ-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102924921 844667925 /nfs/dbraw/zinc/66/79/25/844667925.db2.gz AIHGLXHCCCQNRJ-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001103257313 844727651 /nfs/dbraw/zinc/72/76/51/844727651.db2.gz QTYSNGUXEIBPJJ-TVFCKZIOSA-N 2 2 353.507 0.960 20 0 FCADLP CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001103257313 844727656 /nfs/dbraw/zinc/72/76/56/844727656.db2.gz QTYSNGUXEIBPJJ-TVFCKZIOSA-N 2 2 353.507 0.960 20 0 FCADLP C[NH+]1CCN(CCC[NH+]2CC3(C2)COCC(=O)N3C2CCCC2)CC1 ZINC001276629949 861505006 /nfs/dbraw/zinc/50/50/06/861505006.db2.gz HEDAUYPOEJYFGP-UHFFFAOYSA-N 2 2 350.507 0.480 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCN1CCCCC1)C2 ZINC001276640207 861513514 /nfs/dbraw/zinc/51/35/14/861513514.db2.gz XXRXOJLMTNXLLQ-LJQANCHMSA-N 2 2 352.523 0.585 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CCN1CCCCC1)C2 ZINC001276640207 861513520 /nfs/dbraw/zinc/51/35/20/861513520.db2.gz XXRXOJLMTNXLLQ-LJQANCHMSA-N 2 2 352.523 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCOCCO ZINC001104912367 844958561 /nfs/dbraw/zinc/95/85/61/844958561.db2.gz QRSIOECBJVNBNY-HUUCEWRRSA-N 2 2 352.479 0.770 20 0 FCADLP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954759 844961760 /nfs/dbraw/zinc/96/17/60/844961760.db2.gz RGZMCLKXDYSGKH-GDBMZVCRSA-N 2 2 352.479 0.998 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655568 845010396 /nfs/dbraw/zinc/01/03/96/845010396.db2.gz JFEMQFWIYVOLEK-AHCXZYCDSA-N 2 2 350.463 0.301 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC001106199111 845130573 /nfs/dbraw/zinc/13/05/73/845130573.db2.gz ZOYZFPIRDWTRMI-UPJWGTAASA-N 2 2 356.446 0.374 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307419 845152107 /nfs/dbraw/zinc/15/21/07/845152107.db2.gz LAIGNTYZDBTIDU-FVQBIDKESA-N 2 2 352.479 0.618 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCCF)[C@H](C)C1 ZINC001106621392 845207136 /nfs/dbraw/zinc/20/71/36/845207136.db2.gz IVIXKAFXQVDHNP-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCCF)[C@H](C)C1 ZINC001106621392 845207147 /nfs/dbraw/zinc/20/71/47/845207147.db2.gz IVIXKAFXQVDHNP-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CCOCCO ZINC001106677635 845223162 /nfs/dbraw/zinc/22/31/62/845223162.db2.gz AKNNTCBFUAZCTQ-KLHDSHLOSA-N 2 2 350.463 0.217 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106801352 845256570 /nfs/dbraw/zinc/25/65/70/845256570.db2.gz ZOEFZFSIGNIRPQ-ZIAGYGMSSA-N 2 2 350.467 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106874426 845275308 /nfs/dbraw/zinc/27/53/08/845275308.db2.gz HTSCPKOKJPVHER-ZIAGYGMSSA-N 2 2 370.519 0.806 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106937089 845290200 /nfs/dbraw/zinc/29/02/00/845290200.db2.gz HFEXXDFNQLWHHL-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001107025004 845311311 /nfs/dbraw/zinc/31/13/11/845311311.db2.gz IEOUUVMCONSJTI-VNHYZAJKSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001107025004 845311319 /nfs/dbraw/zinc/31/13/19/845311319.db2.gz IEOUUVMCONSJTI-VNHYZAJKSA-N 2 2 364.515 0.664 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107384909 845365239 /nfs/dbraw/zinc/36/52/39/845365239.db2.gz UHOINTMQFOOTQN-CRAIPNDOSA-N 2 2 350.463 0.712 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107384909 845365251 /nfs/dbraw/zinc/36/52/51/845365251.db2.gz UHOINTMQFOOTQN-CRAIPNDOSA-N 2 2 350.463 0.712 20 0 FCADLP CCOCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023949 845422864 /nfs/dbraw/zinc/42/28/64/845422864.db2.gz GPURRGLTQJCLHF-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP CCOCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023949 845422885 /nfs/dbraw/zinc/42/28/85/845422885.db2.gz GPURRGLTQJCLHF-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP CCOCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108023949 845422894 /nfs/dbraw/zinc/42/28/94/845422894.db2.gz GPURRGLTQJCLHF-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP CCOCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108023949 845422901 /nfs/dbraw/zinc/42/29/01/845422901.db2.gz GPURRGLTQJCLHF-NUJGCVRESA-N 2 2 357.495 0.339 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109068426 845560678 /nfs/dbraw/zinc/56/06/78/845560678.db2.gz VWSUPRGKMMYMCV-FXUDXRNXSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109068426 845560686 /nfs/dbraw/zinc/56/06/86/845560686.db2.gz VWSUPRGKMMYMCV-FXUDXRNXSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001109068426 845560695 /nfs/dbraw/zinc/56/06/95/845560695.db2.gz VWSUPRGKMMYMCV-FXUDXRNXSA-N 2 2 351.495 0.510 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001109068426 845560703 /nfs/dbraw/zinc/56/07/03/845560703.db2.gz VWSUPRGKMMYMCV-FXUDXRNXSA-N 2 2 351.495 0.510 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(C3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001276756562 861582489 /nfs/dbraw/zinc/58/24/89/861582489.db2.gz VQCKWHXUUHSMGD-IAGOWNOFSA-N 2 2 353.417 0.589 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276758305 861585637 /nfs/dbraw/zinc/58/56/37/861585637.db2.gz WTCQPUSUIQAUIB-GOSISDBHSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276758305 861585644 /nfs/dbraw/zinc/58/56/44/861585644.db2.gz WTCQPUSUIQAUIB-GOSISDBHSA-N 2 2 355.479 0.252 20 0 FCADLP CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276762334 861587842 /nfs/dbraw/zinc/58/78/42/861587842.db2.gz JDRZIIVYKURBQW-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400582 845645553 /nfs/dbraw/zinc/64/55/53/845645553.db2.gz MELDNUZKGSSGAM-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400582 845645561 /nfs/dbraw/zinc/64/55/61/845645561.db2.gz MELDNUZKGSSGAM-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001109403758 845645971 /nfs/dbraw/zinc/64/59/71/845645971.db2.gz XFSVUNCBVBRVNX-FZKCQIBNSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001109403758 845645974 /nfs/dbraw/zinc/64/59/74/845645974.db2.gz XFSVUNCBVBRVNX-FZKCQIBNSA-N 2 2 369.531 0.627 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001109462114 845666344 /nfs/dbraw/zinc/66/63/44/845666344.db2.gz BXIKJXZSQGKOFD-NDBYEHHHSA-N 2 2 353.467 0.022 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001109462114 845666353 /nfs/dbraw/zinc/66/63/53/845666353.db2.gz BXIKJXZSQGKOFD-NDBYEHHHSA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001109462114 845666359 /nfs/dbraw/zinc/66/63/59/845666359.db2.gz BXIKJXZSQGKOFD-NDBYEHHHSA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001109462114 845666365 /nfs/dbraw/zinc/66/63/65/845666365.db2.gz BXIKJXZSQGKOFD-NDBYEHHHSA-N 2 2 353.467 0.022 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652649 845705373 /nfs/dbraw/zinc/70/53/73/845705373.db2.gz CUSIHYIJDMRCMC-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652649 845705384 /nfs/dbraw/zinc/70/53/84/845705384.db2.gz CUSIHYIJDMRCMC-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O)[NH+](CC)CC ZINC001109714501 845719071 /nfs/dbraw/zinc/71/90/71/845719071.db2.gz MWXKSHXZFYHIDL-RFGFWPKPSA-N 2 2 353.467 0.023 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O)[NH+](CC)CC ZINC001109714501 845719073 /nfs/dbraw/zinc/71/90/73/845719073.db2.gz MWXKSHXZFYHIDL-RFGFWPKPSA-N 2 2 353.467 0.023 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O)[NH+](CC)CC ZINC001109714644 845720019 /nfs/dbraw/zinc/72/00/19/845720019.db2.gz REHPNWYDLLTUFI-UGUYLWEFSA-N 2 2 374.551 0.378 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O)[NH+](CC)CC ZINC001109714644 845720021 /nfs/dbraw/zinc/72/00/21/845720021.db2.gz REHPNWYDLLTUFI-UGUYLWEFSA-N 2 2 374.551 0.378 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718924 845721182 /nfs/dbraw/zinc/72/11/82/845721182.db2.gz OFERMOSXWSBOTK-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718924 845721185 /nfs/dbraw/zinc/72/11/85/845721185.db2.gz OFERMOSXWSBOTK-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109718924 845721189 /nfs/dbraw/zinc/72/11/89/845721189.db2.gz OFERMOSXWSBOTK-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109718924 845721194 /nfs/dbraw/zinc/72/11/94/845721194.db2.gz OFERMOSXWSBOTK-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001109731945 845722624 /nfs/dbraw/zinc/72/26/24/845722624.db2.gz VFCSAURPCUMAID-QZWWFDLISA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001109731945 845722633 /nfs/dbraw/zinc/72/26/33/845722633.db2.gz VFCSAURPCUMAID-QZWWFDLISA-N 2 2 350.507 0.917 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109934262 845763535 /nfs/dbraw/zinc/76/35/35/845763535.db2.gz XEUHSXSLDOIBGT-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109934262 845763537 /nfs/dbraw/zinc/76/35/37/845763537.db2.gz XEUHSXSLDOIBGT-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109934262 845763542 /nfs/dbraw/zinc/76/35/42/845763542.db2.gz XEUHSXSLDOIBGT-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109934262 845763547 /nfs/dbraw/zinc/76/35/47/845763547.db2.gz XEUHSXSLDOIBGT-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975898 845769810 /nfs/dbraw/zinc/76/98/10/845769810.db2.gz IXOPSCPTRGNLCL-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975898 845769817 /nfs/dbraw/zinc/76/98/17/845769817.db2.gz IXOPSCPTRGNLCL-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975898 845769822 /nfs/dbraw/zinc/76/98/22/845769822.db2.gz IXOPSCPTRGNLCL-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975898 845769830 /nfs/dbraw/zinc/76/98/30/845769830.db2.gz IXOPSCPTRGNLCL-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110016140 845776877 /nfs/dbraw/zinc/77/68/77/845776877.db2.gz ADHOHAXUFBDLEO-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110016140 845776882 /nfs/dbraw/zinc/77/68/82/845776882.db2.gz ADHOHAXUFBDLEO-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110016140 845776889 /nfs/dbraw/zinc/77/68/89/845776889.db2.gz ADHOHAXUFBDLEO-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110016140 845776897 /nfs/dbraw/zinc/77/68/97/845776897.db2.gz ADHOHAXUFBDLEO-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110016139 845777457 /nfs/dbraw/zinc/77/74/57/845777457.db2.gz ADHOHAXUFBDLEO-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110016139 845777464 /nfs/dbraw/zinc/77/74/64/845777464.db2.gz ADHOHAXUFBDLEO-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110016139 845777470 /nfs/dbraw/zinc/77/74/70/845777470.db2.gz ADHOHAXUFBDLEO-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110016139 845777476 /nfs/dbraw/zinc/77/74/76/845777476.db2.gz ADHOHAXUFBDLEO-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110022509 845778772 /nfs/dbraw/zinc/77/87/72/845778772.db2.gz YZYWFABMSLNGMQ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110022509 845778779 /nfs/dbraw/zinc/77/87/79/845778779.db2.gz YZYWFABMSLNGMQ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110022509 845778790 /nfs/dbraw/zinc/77/87/90/845778790.db2.gz YZYWFABMSLNGMQ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110022509 845778794 /nfs/dbraw/zinc/77/87/94/845778794.db2.gz YZYWFABMSLNGMQ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)OCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276783589 861607400 /nfs/dbraw/zinc/60/74/00/861607400.db2.gz UJMRXVHVQQEXFC-GOSISDBHSA-N 2 2 350.463 0.859 20 0 FCADLP CC(C)OCC[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276783589 861607410 /nfs/dbraw/zinc/60/74/10/861607410.db2.gz UJMRXVHVQQEXFC-GOSISDBHSA-N 2 2 350.463 0.859 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001110161556 845809501 /nfs/dbraw/zinc/80/95/01/845809501.db2.gz JDSHPSKBIUYOCV-CVYDXHPNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001110161556 845809505 /nfs/dbraw/zinc/80/95/05/845809505.db2.gz JDSHPSKBIUYOCV-CVYDXHPNSA-N 2 2 350.507 0.917 20 0 FCADLP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001110718986 845955445 /nfs/dbraw/zinc/95/54/45/845955445.db2.gz JCYZPUYAVMVEJY-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001110718986 845955450 /nfs/dbraw/zinc/95/54/50/845955450.db2.gz JCYZPUYAVMVEJY-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2)S(C)(=O)=O ZINC001110718986 845955456 /nfs/dbraw/zinc/95/54/56/845955456.db2.gz JCYZPUYAVMVEJY-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2)S(C)(=O)=O ZINC001110718986 845955461 /nfs/dbraw/zinc/95/54/61/845955461.db2.gz JCYZPUYAVMVEJY-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274942 846074519 /nfs/dbraw/zinc/07/45/19/846074519.db2.gz NGNQYIGYIRXIFN-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274942 846074522 /nfs/dbraw/zinc/07/45/22/846074522.db2.gz NGNQYIGYIRXIFN-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274942 846074528 /nfs/dbraw/zinc/07/45/28/846074528.db2.gz NGNQYIGYIRXIFN-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274942 846074531 /nfs/dbraw/zinc/07/45/31/846074531.db2.gz NGNQYIGYIRXIFN-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463240 846118860 /nfs/dbraw/zinc/11/88/60/846118860.db2.gz GFMMDYVXCRBMLP-CBZIJGRNSA-N 2 2 350.507 0.964 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463240 846118867 /nfs/dbraw/zinc/11/88/67/846118867.db2.gz GFMMDYVXCRBMLP-CBZIJGRNSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001111984772 846282251 /nfs/dbraw/zinc/28/22/51/846282251.db2.gz OAIKEAWPADJXKQ-RYRKJORJSA-N 2 2 371.547 0.734 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001111984772 846282260 /nfs/dbraw/zinc/28/22/60/846282260.db2.gz OAIKEAWPADJXKQ-RYRKJORJSA-N 2 2 371.547 0.734 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122581 846400327 /nfs/dbraw/zinc/40/03/27/846400327.db2.gz VUFZLWMLKHUTIX-UPJWGTAASA-N 2 2 364.412 0.538 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122581 846400333 /nfs/dbraw/zinc/40/03/33/846400333.db2.gz VUFZLWMLKHUTIX-UPJWGTAASA-N 2 2 364.412 0.538 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171745 846434553 /nfs/dbraw/zinc/43/45/53/846434553.db2.gz XHUOTYSNHGQVAO-CHWSQXEVSA-N 2 2 364.368 0.594 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217868 846473545 /nfs/dbraw/zinc/47/35/45/846473545.db2.gz XWNPNUDCMRAYAR-VXGBXAGGSA-N 2 2 361.368 0.388 20 0 FCADLP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112535800 846517204 /nfs/dbraw/zinc/51/72/04/846517204.db2.gz AXFDTRWBKATUBE-BBRMVZONSA-N 2 2 354.476 0.215 20 0 FCADLP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551919 846521650 /nfs/dbraw/zinc/52/16/50/846521650.db2.gz WIDDQTLSCJGTTB-BBRMVZONSA-N 2 2 354.476 0.215 20 0 FCADLP CC(=O)N1CCC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001116865713 846789226 /nfs/dbraw/zinc/78/92/26/846789226.db2.gz MDBFJNZDFDKTFC-SFHVURJKSA-N 2 2 352.523 0.631 20 0 FCADLP CC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001116865713 846789230 /nfs/dbraw/zinc/78/92/30/846789230.db2.gz MDBFJNZDFDKTFC-SFHVURJKSA-N 2 2 352.523 0.631 20 0 FCADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnnn1C ZINC001120453376 848207845 /nfs/dbraw/zinc/20/78/45/848207845.db2.gz QAQNPXIYOGWAHZ-GFCCVEGCSA-N 2 2 350.471 0.129 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CCC1 ZINC001129048983 848799423 /nfs/dbraw/zinc/79/94/23/848799423.db2.gz MXGBTFHEZJIIIK-KMEUXCNSSA-N 2 2 352.870 0.856 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CCC1 ZINC001129048983 848799426 /nfs/dbraw/zinc/79/94/26/848799426.db2.gz MXGBTFHEZJIIIK-KMEUXCNSSA-N 2 2 352.870 0.856 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129204527 848818308 /nfs/dbraw/zinc/81/83/08/848818308.db2.gz HOOYKYIZXNFJSP-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129204527 848818314 /nfs/dbraw/zinc/81/83/14/848818314.db2.gz HOOYKYIZXNFJSP-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccn(CC(F)(F)F)n2)O1 ZINC001130182716 848962330 /nfs/dbraw/zinc/96/23/30/848962330.db2.gz UOYLEHKYETUDPZ-DGCLKSJQSA-N 2 2 363.384 0.370 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccn(CC(F)(F)F)n2)O1 ZINC001130182716 848962333 /nfs/dbraw/zinc/96/23/33/848962333.db2.gz UOYLEHKYETUDPZ-DGCLKSJQSA-N 2 2 363.384 0.370 20 0 FCADLP CC[C@@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)[NH+](C)C ZINC001130237967 848983764 /nfs/dbraw/zinc/98/37/64/848983764.db2.gz MPLRBPCHNUCEJM-AVGNSLFASA-N 2 2 356.446 0.193 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)[NH+](C)C ZINC001130237967 848983771 /nfs/dbraw/zinc/98/37/71/848983771.db2.gz MPLRBPCHNUCEJM-AVGNSLFASA-N 2 2 356.446 0.193 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809230 849047596 /nfs/dbraw/zinc/04/75/96/849047596.db2.gz MYTXMLQLTIHVGZ-MELADBBJSA-N 2 2 350.467 0.592 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809230 849047597 /nfs/dbraw/zinc/04/75/97/849047597.db2.gz MYTXMLQLTIHVGZ-MELADBBJSA-N 2 2 350.467 0.592 20 0 FCADLP O=C(NCC[NH2+]CCC(F)(F)F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613898 849130946 /nfs/dbraw/zinc/13/09/46/849130946.db2.gz RGVJVUMBJZUFTN-OLZOCXBDSA-N 2 2 353.385 0.524 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)nc3)CC[C@@H]2C1 ZINC001137738038 849280699 /nfs/dbraw/zinc/28/06/99/849280699.db2.gz JLAURDZAGQXNEH-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)nc3)CC[C@@H]2C1 ZINC001137738038 849280708 /nfs/dbraw/zinc/28/07/08/849280708.db2.gz JLAURDZAGQXNEH-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(F)nc3)CC[C@@H]2C1 ZINC001137738038 849280719 /nfs/dbraw/zinc/28/07/19/849280719.db2.gz JLAURDZAGQXNEH-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(F)nc3)CC[C@@H]2C1 ZINC001137738038 849280727 /nfs/dbraw/zinc/28/07/27/849280727.db2.gz JLAURDZAGQXNEH-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP O=C1CO[C@@]2(CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)CN1CCn1cc[nH+]c1 ZINC001277697657 862007470 /nfs/dbraw/zinc/00/74/70/862007470.db2.gz LGCUZYPWMUKJQW-TZMCWYRMSA-N 2 2 362.352 0.110 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](C[C@@H](O)C(F)(F)F)C2)CN1CCn1cc[nH+]c1 ZINC001277697657 862007481 /nfs/dbraw/zinc/00/74/81/862007481.db2.gz LGCUZYPWMUKJQW-TZMCWYRMSA-N 2 2 362.352 0.110 20 0 FCADLP C[C@]1(O)COCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139761478 849347549 /nfs/dbraw/zinc/34/75/49/849347549.db2.gz JDKDFTLDASMFPW-LJQANCHMSA-N 2 2 350.459 0.981 20 0 FCADLP C[C@]1(O)COCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139761478 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FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312493 851778678 /nfs/dbraw/zinc/77/86/78/851778678.db2.gz RTGJUIPHEYCKHN-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312493 851778683 /nfs/dbraw/zinc/77/86/83/851778683.db2.gz RTGJUIPHEYCKHN-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189471309 851793424 /nfs/dbraw/zinc/79/34/24/851793424.db2.gz SIEVAYXRACZHDF-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189471309 851793434 /nfs/dbraw/zinc/79/34/34/851793434.db2.gz SIEVAYXRACZHDF-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177451 851871178 /nfs/dbraw/zinc/87/11/78/851871178.db2.gz MPFNEXJBPUZOTF-DLBZAZTESA-N 2 2 371.547 0.828 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177451 851871187 /nfs/dbraw/zinc/87/11/87/851871187.db2.gz MPFNEXJBPUZOTF-DLBZAZTESA-N 2 2 371.547 0.828 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001190363076 851896401 /nfs/dbraw/zinc/89/64/01/851896401.db2.gz AXHJPOFYPOLUKZ-JKSUJKDBSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001190363076 851896403 /nfs/dbraw/zinc/89/64/03/851896403.db2.gz AXHJPOFYPOLUKZ-JKSUJKDBSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001190363076 851896410 /nfs/dbraw/zinc/89/64/10/851896410.db2.gz AXHJPOFYPOLUKZ-JKSUJKDBSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001190363076 851896420 /nfs/dbraw/zinc/89/64/20/851896420.db2.gz AXHJPOFYPOLUKZ-JKSUJKDBSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901633 851979880 /nfs/dbraw/zinc/97/98/80/851979880.db2.gz ZVIDEUNUKXAMRK-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901633 851979881 /nfs/dbraw/zinc/97/98/81/851979881.db2.gz ZVIDEUNUKXAMRK-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901633 851979884 /nfs/dbraw/zinc/97/98/84/851979884.db2.gz ZVIDEUNUKXAMRK-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901633 851979887 /nfs/dbraw/zinc/97/98/87/851979887.db2.gz ZVIDEUNUKXAMRK-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001193447354 852429338 /nfs/dbraw/zinc/42/93/38/852429338.db2.gz PACGKEZHGRZBPW-JHJVBQTASA-N 2 2 355.401 0.109 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001193447354 852429340 /nfs/dbraw/zinc/42/93/40/852429340.db2.gz PACGKEZHGRZBPW-JHJVBQTASA-N 2 2 355.401 0.109 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001193620416 852461799 /nfs/dbraw/zinc/46/17/99/852461799.db2.gz YUZGXDYLFNYKOR-BRWVUGGUSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001193620416 852461804 /nfs/dbraw/zinc/46/18/04/852461804.db2.gz YUZGXDYLFNYKOR-BRWVUGGUSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001193620416 852461812 /nfs/dbraw/zinc/46/18/12/852461812.db2.gz YUZGXDYLFNYKOR-BRWVUGGUSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001193620416 852461817 /nfs/dbraw/zinc/46/18/17/852461817.db2.gz YUZGXDYLFNYKOR-BRWVUGGUSA-N 2 2 350.463 0.709 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773815 852485552 /nfs/dbraw/zinc/48/55/52/852485552.db2.gz DRMHQVAMOKXWSU-HUUCEWRRSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773815 852485557 /nfs/dbraw/zinc/48/55/57/852485557.db2.gz DRMHQVAMOKXWSU-HUUCEWRRSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792161 852488692 /nfs/dbraw/zinc/48/86/92/852488692.db2.gz ZTLZKVTZDGINGD-BFYDXBDKSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792161 852488704 /nfs/dbraw/zinc/48/87/04/852488704.db2.gz ZTLZKVTZDGINGD-BFYDXBDKSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193901967 852503963 /nfs/dbraw/zinc/50/39/63/852503963.db2.gz LSSHPRLDCVUQJW-DJIMGWMZSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193901967 852503965 /nfs/dbraw/zinc/50/39/65/852503965.db2.gz LSSHPRLDCVUQJW-DJIMGWMZSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193901967 852503968 /nfs/dbraw/zinc/50/39/68/852503968.db2.gz LSSHPRLDCVUQJW-DJIMGWMZSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193901967 852503971 /nfs/dbraw/zinc/50/39/71/852503971.db2.gz LSSHPRLDCVUQJW-DJIMGWMZSA-N 2 2 350.463 0.773 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001193953351 852516039 /nfs/dbraw/zinc/51/60/39/852516039.db2.gz KDPWPQQONSYAIR-INMHGKMJSA-N 2 2 350.463 0.338 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001193953351 852516043 /nfs/dbraw/zinc/51/60/43/852516043.db2.gz KDPWPQQONSYAIR-INMHGKMJSA-N 2 2 350.463 0.338 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194258094 852568115 /nfs/dbraw/zinc/56/81/15/852568115.db2.gz AKSLBSQLHLYJQD-HUUCEWRRSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194258094 852568119 /nfs/dbraw/zinc/56/81/19/852568119.db2.gz AKSLBSQLHLYJQD-HUUCEWRRSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194258094 852568127 /nfs/dbraw/zinc/56/81/27/852568127.db2.gz AKSLBSQLHLYJQD-HUUCEWRRSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194258094 852568131 /nfs/dbraw/zinc/56/81/31/852568131.db2.gz AKSLBSQLHLYJQD-HUUCEWRRSA-N 2 2 352.479 0.937 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001195149629 852715192 /nfs/dbraw/zinc/71/51/92/852715192.db2.gz VMMKKJCGDWUEGV-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001195149629 852715196 /nfs/dbraw/zinc/71/51/96/852715196.db2.gz VMMKKJCGDWUEGV-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001195640855 852803772 /nfs/dbraw/zinc/80/37/72/852803772.db2.gz RRNHOPNZFSBKMM-HZPDHXFCSA-N 2 2 351.447 0.543 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661402 852807645 /nfs/dbraw/zinc/80/76/45/852807645.db2.gz OZYNNGLTCGLBFP-HUUCEWRRSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661402 852807649 /nfs/dbraw/zinc/80/76/49/852807649.db2.gz OZYNNGLTCGLBFP-HUUCEWRRSA-N 2 2 352.504 0.763 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1F ZINC001195692301 852813697 /nfs/dbraw/zinc/81/36/97/852813697.db2.gz YWSHSWNAQOQOSN-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1F ZINC001195692301 852813702 /nfs/dbraw/zinc/81/37/02/852813702.db2.gz YWSHSWNAQOQOSN-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001195701170 852814551 /nfs/dbraw/zinc/81/45/51/852814551.db2.gz KJYALHMKVXJJCR-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001195701170 852814554 /nfs/dbraw/zinc/81/45/54/852814554.db2.gz KJYALHMKVXJJCR-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)ccc1Cl ZINC001195859745 852836793 /nfs/dbraw/zinc/83/67/93/852836793.db2.gz OCVBIAZUJWYIDC-HUUCEWRRSA-N 2 2 355.866 0.962 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)ccc1Cl ZINC001195859745 852836798 /nfs/dbraw/zinc/83/67/98/852836798.db2.gz OCVBIAZUJWYIDC-HUUCEWRRSA-N 2 2 355.866 0.962 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O)[NH+](C)C ZINC001196206261 852913586 /nfs/dbraw/zinc/91/35/86/852913586.db2.gz AXRKFLISBQLNRK-OWCLPIDISA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O)[NH+](C)C ZINC001196206261 852913594 /nfs/dbraw/zinc/91/35/94/852913594.db2.gz AXRKFLISBQLNRK-OWCLPIDISA-N 2 2 353.438 0.836 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268846 852929130 /nfs/dbraw/zinc/92/91/30/852929130.db2.gz MONRWRQVHABUML-BZUAXINKSA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268846 852929134 /nfs/dbraw/zinc/92/91/34/852929134.db2.gz MONRWRQVHABUML-BZUAXINKSA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268846 852929139 /nfs/dbraw/zinc/92/91/39/852929139.db2.gz MONRWRQVHABUML-BZUAXINKSA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268846 852929145 /nfs/dbraw/zinc/92/91/45/852929145.db2.gz MONRWRQVHABUML-BZUAXINKSA-N 2 2 354.495 0.284 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001197058420 853054280 /nfs/dbraw/zinc/05/42/80/853054280.db2.gz SQBDMVQQDXHNFK-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001197058420 853054287 /nfs/dbraw/zinc/05/42/87/853054287.db2.gz SQBDMVQQDXHNFK-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197057709 853054555 /nfs/dbraw/zinc/05/45/55/853054555.db2.gz HFPSMFNPWHYDIB-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197057709 853054563 /nfs/dbraw/zinc/05/45/63/853054563.db2.gz HFPSMFNPWHYDIB-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319512 853097712 /nfs/dbraw/zinc/09/77/12/853097712.db2.gz KZLPRPZTWRBVTP-HUUCEWRRSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319512 853097716 /nfs/dbraw/zinc/09/77/16/853097716.db2.gz KZLPRPZTWRBVTP-HUUCEWRRSA-N 2 2 368.503 0.224 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197528092 853126894 /nfs/dbraw/zinc/12/68/94/853126894.db2.gz HOMCUXGVRGHHAV-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197528092 853126897 /nfs/dbraw/zinc/12/68/97/853126897.db2.gz HOMCUXGVRGHHAV-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197528092 853126900 /nfs/dbraw/zinc/12/69/00/853126900.db2.gz HOMCUXGVRGHHAV-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197528092 853126903 /nfs/dbraw/zinc/12/69/03/853126903.db2.gz HOMCUXGVRGHHAV-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197536460 853127914 /nfs/dbraw/zinc/12/79/14/853127914.db2.gz UUMNRTAPRXEOKE-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197536460 853127919 /nfs/dbraw/zinc/12/79/19/853127919.db2.gz UUMNRTAPRXEOKE-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197536460 853127922 /nfs/dbraw/zinc/12/79/22/853127922.db2.gz UUMNRTAPRXEOKE-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001197536460 853127926 /nfs/dbraw/zinc/12/79/26/853127926.db2.gz UUMNRTAPRXEOKE-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001197724697 853154076 /nfs/dbraw/zinc/15/40/76/853154076.db2.gz WTCJMFLEFGCULP-OWCLPIDISA-N 2 2 356.511 0.314 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001197724697 853154077 /nfs/dbraw/zinc/15/40/77/853154077.db2.gz WTCJMFLEFGCULP-OWCLPIDISA-N 2 2 356.511 0.314 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776097 853160532 /nfs/dbraw/zinc/16/05/32/853160532.db2.gz REBIPDDJJKCGGS-JHJVBQTASA-N 2 2 353.385 0.068 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776097 853160537 /nfs/dbraw/zinc/16/05/37/853160537.db2.gz REBIPDDJJKCGGS-JHJVBQTASA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776097 853160541 /nfs/dbraw/zinc/16/05/41/853160541.db2.gz REBIPDDJJKCGGS-JHJVBQTASA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776097 853160546 /nfs/dbraw/zinc/16/05/46/853160546.db2.gz REBIPDDJJKCGGS-JHJVBQTASA-N 2 2 353.385 0.068 20 0 FCADLP CCC(CO)(CO)NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198031623 853208155 /nfs/dbraw/zinc/20/81/55/853208155.db2.gz XQHAQMDBLSEBGZ-UHFFFAOYSA-N 2 2 351.491 0.933 20 0 FCADLP CCC(CO)(CO)NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198031623 853208159 /nfs/dbraw/zinc/20/81/59/853208159.db2.gz XQHAQMDBLSEBGZ-UHFFFAOYSA-N 2 2 351.491 0.933 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046361 853210477 /nfs/dbraw/zinc/21/04/77/853210477.db2.gz BCVWVNYFOJTMNQ-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046361 853210485 /nfs/dbraw/zinc/21/04/85/853210485.db2.gz BCVWVNYFOJTMNQ-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046361 853210495 /nfs/dbraw/zinc/21/04/95/853210495.db2.gz BCVWVNYFOJTMNQ-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046361 853210504 /nfs/dbraw/zinc/21/05/04/853210504.db2.gz BCVWVNYFOJTMNQ-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)o1 ZINC001199103963 853368938 /nfs/dbraw/zinc/36/89/38/853368938.db2.gz GDWPMZKIOPZAHW-HUUCEWRRSA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)o1 ZINC001199103963 853368945 /nfs/dbraw/zinc/36/89/45/853368945.db2.gz GDWPMZKIOPZAHW-HUUCEWRRSA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001199103963 853368955 /nfs/dbraw/zinc/36/89/55/853368955.db2.gz GDWPMZKIOPZAHW-HUUCEWRRSA-N 2 2 352.479 0.937 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398287 853419627 /nfs/dbraw/zinc/41/96/27/853419627.db2.gz MZRVETQVQGGVNS-IAGOWNOFSA-N 2 2 352.479 0.887 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398287 853419630 /nfs/dbraw/zinc/41/96/30/853419630.db2.gz MZRVETQVQGGVNS-IAGOWNOFSA-N 2 2 352.479 0.887 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001199959613 853470039 /nfs/dbraw/zinc/47/00/39/853470039.db2.gz XSPZBAWXNVBOGX-QAQDUYKDSA-N 2 2 370.563 0.816 20 0 FCADLP CCCCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001200449889 853498631 /nfs/dbraw/zinc/49/86/31/853498631.db2.gz NVIXPMIWBDTRJT-UHFFFAOYSA-N 2 2 369.579 0.831 20 0 FCADLP COCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201736770 853544822 /nfs/dbraw/zinc/54/48/22/853544822.db2.gz DOCKKITYLKQNGH-SJORKVTESA-N 2 2 355.479 0.093 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NC(C)(C)C)CC2)C1=O ZINC001202474638 853564977 /nfs/dbraw/zinc/56/49/77/853564977.db2.gz AZBJZWYUMODHBI-UHFFFAOYSA-N 2 2 353.511 0.665 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NC(C)(C)C)CC2)C1=O ZINC001202474638 853564984 /nfs/dbraw/zinc/56/49/84/853564984.db2.gz AZBJZWYUMODHBI-UHFFFAOYSA-N 2 2 353.511 0.665 20 0 FCADLP Cn1ncc(I)c1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205248762 853601923 /nfs/dbraw/zinc/60/19/23/853601923.db2.gz SFZHLZLPASRIKL-LBPRGKRZSA-N 2 2 364.231 0.700 20 0 FCADLP Cn1ncc(I)c1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205248762 853601930 /nfs/dbraw/zinc/60/19/30/853601930.db2.gz SFZHLZLPASRIKL-LBPRGKRZSA-N 2 2 364.231 0.700 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206921154 853752159 /nfs/dbraw/zinc/75/21/59/853752159.db2.gz CABMPTKJDLTHFG-UKRRQHHQSA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206921154 853752163 /nfs/dbraw/zinc/75/21/63/853752163.db2.gz CABMPTKJDLTHFG-UKRRQHHQSA-N 2 2 368.503 0.604 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992777 853778557 /nfs/dbraw/zinc/77/85/57/853778557.db2.gz HGSCATIZFVZGKN-KLHDSHLOSA-N 2 2 359.536 0.588 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992777 853778560 /nfs/dbraw/zinc/77/85/60/853778560.db2.gz HGSCATIZFVZGKN-KLHDSHLOSA-N 2 2 359.536 0.588 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992777 853778565 /nfs/dbraw/zinc/77/85/65/853778565.db2.gz HGSCATIZFVZGKN-KLHDSHLOSA-N 2 2 359.536 0.588 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992777 853778569 /nfs/dbraw/zinc/77/85/69/853778569.db2.gz HGSCATIZFVZGKN-KLHDSHLOSA-N 2 2 359.536 0.588 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ncccc3F)CC[C@@H]2C1 ZINC001207027366 853780939 /nfs/dbraw/zinc/78/09/39/853780939.db2.gz APMHUUGENVVRIN-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ncccc3F)CC[C@@H]2C1 ZINC001207027366 853780944 /nfs/dbraw/zinc/78/09/44/853780944.db2.gz APMHUUGENVVRIN-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ncccc3F)CC[C@@H]2C1 ZINC001207027366 853780948 /nfs/dbraw/zinc/78/09/48/853780948.db2.gz APMHUUGENVVRIN-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ncccc3F)CC[C@@H]2C1 ZINC001207027366 853780954 /nfs/dbraw/zinc/78/09/54/853780954.db2.gz APMHUUGENVVRIN-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207263400 853795252 /nfs/dbraw/zinc/79/52/52/853795252.db2.gz RYXWBHSAZXIKIG-VNQPRFMTSA-N 2 2 356.486 0.629 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207263400 853795257 /nfs/dbraw/zinc/79/52/57/853795257.db2.gz RYXWBHSAZXIKIG-VNQPRFMTSA-N 2 2 356.486 0.629 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547170 853823188 /nfs/dbraw/zinc/82/31/88/853823188.db2.gz NPKCCGYEYMREIK-ZACQAIPSSA-N 2 2 351.495 0.675 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547170 853823194 /nfs/dbraw/zinc/82/31/94/853823194.db2.gz NPKCCGYEYMREIK-ZACQAIPSSA-N 2 2 351.495 0.675 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C)[NH+](C)C ZINC001207698219 853843414 /nfs/dbraw/zinc/84/34/14/853843414.db2.gz WDGRVCGHAKELRK-BZUAXINKSA-N 2 2 361.552 0.976 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C)[NH+](C)C ZINC001207698219 853843417 /nfs/dbraw/zinc/84/34/17/853843417.db2.gz WDGRVCGHAKELRK-BZUAXINKSA-N 2 2 361.552 0.976 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001207750195 853853846 /nfs/dbraw/zinc/85/38/46/853853846.db2.gz MMEASNBFYKIORF-ZIAGYGMSSA-N 2 2 362.540 0.093 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001207750195 853853847 /nfs/dbraw/zinc/85/38/47/853853847.db2.gz MMEASNBFYKIORF-ZIAGYGMSSA-N 2 2 362.540 0.093 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001207750195 853853851 /nfs/dbraw/zinc/85/38/51/853853851.db2.gz MMEASNBFYKIORF-ZIAGYGMSSA-N 2 2 362.540 0.093 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C ZINC001207750195 853853853 /nfs/dbraw/zinc/85/38/53/853853853.db2.gz MMEASNBFYKIORF-ZIAGYGMSSA-N 2 2 362.540 0.093 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073864 853892549 /nfs/dbraw/zinc/89/25/49/853892549.db2.gz KHDUYRDFVUXEOB-KYJSFNMBSA-N 2 2 350.507 0.824 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073864 853892552 /nfs/dbraw/zinc/89/25/52/853892552.db2.gz KHDUYRDFVUXEOB-KYJSFNMBSA-N 2 2 350.507 0.824 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405055 853927963 /nfs/dbraw/zinc/92/79/63/853927963.db2.gz IFPCEHODIOEPLB-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405055 853927968 /nfs/dbraw/zinc/92/79/68/853927968.db2.gz IFPCEHODIOEPLB-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405055 853927973 /nfs/dbraw/zinc/92/79/73/853927973.db2.gz IFPCEHODIOEPLB-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405055 853927978 /nfs/dbraw/zinc/92/79/78/853927978.db2.gz IFPCEHODIOEPLB-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1)c1ccco1 ZINC001208496204 853943694 /nfs/dbraw/zinc/94/36/94/853943694.db2.gz MCHFXWOWJZFFQV-RBSFLKMASA-N 2 2 350.463 0.845 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1)c1ccco1 ZINC001208496204 853943697 /nfs/dbraw/zinc/94/36/97/853943697.db2.gz MCHFXWOWJZFFQV-RBSFLKMASA-N 2 2 350.463 0.845 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208590387 853957310 /nfs/dbraw/zinc/95/73/10/853957310.db2.gz FVEVSUFTFOOSLJ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208590387 853957315 /nfs/dbraw/zinc/95/73/15/853957315.db2.gz FVEVSUFTFOOSLJ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208590387 853957320 /nfs/dbraw/zinc/95/73/20/853957320.db2.gz FVEVSUFTFOOSLJ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208590387 853957326 /nfs/dbraw/zinc/95/73/26/853957326.db2.gz FVEVSUFTFOOSLJ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507070 854032610 /nfs/dbraw/zinc/03/26/10/854032610.db2.gz XHNOCDFZDSWYAP-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209507070 854032619 /nfs/dbraw/zinc/03/26/19/854032619.db2.gz XHNOCDFZDSWYAP-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506945 854033142 /nfs/dbraw/zinc/03/31/42/854033142.db2.gz WZUWNRRQCWONBZ-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506945 854033146 /nfs/dbraw/zinc/03/31/46/854033146.db2.gz WZUWNRRQCWONBZ-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285452 854095374 /nfs/dbraw/zinc/09/53/74/854095374.db2.gz YSKNIPGGJRPOND-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285452 854095381 /nfs/dbraw/zinc/09/53/81/854095381.db2.gz YSKNIPGGJRPOND-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001211039731 854148850 /nfs/dbraw/zinc/14/88/50/854148850.db2.gz UESZNVJRUHPQJY-UKRRQHHQSA-N 2 2 350.467 0.336 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001211039731 854148853 /nfs/dbraw/zinc/14/88/53/854148853.db2.gz UESZNVJRUHPQJY-UKRRQHHQSA-N 2 2 350.467 0.336 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038706 854149051 /nfs/dbraw/zinc/14/90/51/854149051.db2.gz KPGHUMGBFGRBAD-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038706 854149053 /nfs/dbraw/zinc/14/90/53/854149053.db2.gz KPGHUMGBFGRBAD-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039294 854149197 /nfs/dbraw/zinc/14/91/97/854149197.db2.gz REGJZFJNMGAZSV-HZPDHXFCSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039294 854149201 /nfs/dbraw/zinc/14/92/01/854149201.db2.gz REGJZFJNMGAZSV-HZPDHXFCSA-N 2 2 359.536 0.732 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046674 854150567 /nfs/dbraw/zinc/15/05/67/854150567.db2.gz TXTLAAOTBXULLN-IJEWVQPXSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046674 854150571 /nfs/dbraw/zinc/15/05/71/854150571.db2.gz TXTLAAOTBXULLN-IJEWVQPXSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212353352 854448100 /nfs/dbraw/zinc/44/81/00/854448100.db2.gz QORMJALJNLDGDJ-BZUAXINKSA-N 2 2 355.458 0.415 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212353352 854448107 /nfs/dbraw/zinc/44/81/07/854448107.db2.gz QORMJALJNLDGDJ-BZUAXINKSA-N 2 2 355.458 0.415 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406066 854465013 /nfs/dbraw/zinc/46/50/13/854465013.db2.gz IRAKBHODGLILDI-IXDOHACOSA-N 2 2 351.495 0.675 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406066 854465016 /nfs/dbraw/zinc/46/50/16/854465016.db2.gz IRAKBHODGLILDI-IXDOHACOSA-N 2 2 351.495 0.675 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409602 854467011 /nfs/dbraw/zinc/46/70/11/854467011.db2.gz IUSZRWMOOHOZEN-BZUAXINKSA-N 2 2 369.897 0.692 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409602 854467015 /nfs/dbraw/zinc/46/70/15/854467015.db2.gz IUSZRWMOOHOZEN-BZUAXINKSA-N 2 2 369.897 0.692 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483391 854496998 /nfs/dbraw/zinc/49/69/98/854496998.db2.gz IBEANSHHQMFPAB-BPLDGKMQSA-N 2 2 354.495 0.199 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483391 854497002 /nfs/dbraw/zinc/49/70/02/854497002.db2.gz IBEANSHHQMFPAB-BPLDGKMQSA-N 2 2 354.495 0.199 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483391 854497006 /nfs/dbraw/zinc/49/70/06/854497006.db2.gz IBEANSHHQMFPAB-BPLDGKMQSA-N 2 2 354.495 0.199 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212483391 854497009 /nfs/dbraw/zinc/49/70/09/854497009.db2.gz IBEANSHHQMFPAB-BPLDGKMQSA-N 2 2 354.495 0.199 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001212486732 854498123 /nfs/dbraw/zinc/49/81/23/854498123.db2.gz ANQRQBKDBFWFCJ-HUUCEWRRSA-N 2 2 356.511 0.399 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001212486732 854498125 /nfs/dbraw/zinc/49/81/25/854498125.db2.gz ANQRQBKDBFWFCJ-HUUCEWRRSA-N 2 2 356.511 0.399 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001212486732 854498129 /nfs/dbraw/zinc/49/81/29/854498129.db2.gz ANQRQBKDBFWFCJ-HUUCEWRRSA-N 2 2 356.511 0.399 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001212486732 854498131 /nfs/dbraw/zinc/49/81/31/854498131.db2.gz ANQRQBKDBFWFCJ-HUUCEWRRSA-N 2 2 356.511 0.399 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348835 854584343 /nfs/dbraw/zinc/58/43/43/854584343.db2.gz WMVMHMPCIIABLK-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348835 854584357 /nfs/dbraw/zinc/58/43/57/854584357.db2.gz WMVMHMPCIIABLK-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001213555554 854663395 /nfs/dbraw/zinc/66/33/95/854663395.db2.gz SOISFHMKMMDEHF-IAOVAPTHSA-N 2 2 350.463 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001213555554 854663396 /nfs/dbraw/zinc/66/33/96/854663396.db2.gz SOISFHMKMMDEHF-IAOVAPTHSA-N 2 2 350.463 0.830 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001213555554 854663398 /nfs/dbraw/zinc/66/33/98/854663398.db2.gz SOISFHMKMMDEHF-IAOVAPTHSA-N 2 2 350.463 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001213555554 854663399 /nfs/dbraw/zinc/66/33/99/854663399.db2.gz SOISFHMKMMDEHF-IAOVAPTHSA-N 2 2 350.463 0.830 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578062 854672930 /nfs/dbraw/zinc/67/29/30/854672930.db2.gz CYSCDRSHQMJDAA-HUUCEWRRSA-N 2 2 368.503 0.489 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578062 854672933 /nfs/dbraw/zinc/67/29/33/854672933.db2.gz CYSCDRSHQMJDAA-HUUCEWRRSA-N 2 2 368.503 0.489 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001213594690 854679715 /nfs/dbraw/zinc/67/97/15/854679715.db2.gz NAGRXNJJBORFBG-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001213594690 854679717 /nfs/dbraw/zinc/67/97/17/854679717.db2.gz NAGRXNJJBORFBG-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598730 854680199 /nfs/dbraw/zinc/68/01/99/854680199.db2.gz LQEZQOGQMQPIFS-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598730 854680212 /nfs/dbraw/zinc/68/02/12/854680212.db2.gz LQEZQOGQMQPIFS-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213676232 854711776 /nfs/dbraw/zinc/71/17/76/854711776.db2.gz WUQOOZGJWPSJBF-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213676232 854711784 /nfs/dbraw/zinc/71/17/84/854711784.db2.gz WUQOOZGJWPSJBF-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213676232 854711790 /nfs/dbraw/zinc/71/17/90/854711790.db2.gz WUQOOZGJWPSJBF-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213676232 854711798 /nfs/dbraw/zinc/71/17/98/854711798.db2.gz WUQOOZGJWPSJBF-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213718798 854732642 /nfs/dbraw/zinc/73/26/42/854732642.db2.gz ACPPPVGVJNPWAZ-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213718798 854732644 /nfs/dbraw/zinc/73/26/44/854732644.db2.gz ACPPPVGVJNPWAZ-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001213718798 854732647 /nfs/dbraw/zinc/73/26/47/854732647.db2.gz ACPPPVGVJNPWAZ-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001213718798 854732650 /nfs/dbraw/zinc/73/26/50/854732650.db2.gz ACPPPVGVJNPWAZ-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747992 854748999 /nfs/dbraw/zinc/74/89/99/854748999.db2.gz ZDBDGITWBOLORM-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747992 854749005 /nfs/dbraw/zinc/74/90/05/854749005.db2.gz ZDBDGITWBOLORM-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213757386 854753802 /nfs/dbraw/zinc/75/38/02/854753802.db2.gz GLIWBPFKNWVHPY-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213757386 854753803 /nfs/dbraw/zinc/75/38/03/854753803.db2.gz GLIWBPFKNWVHPY-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213757386 854753806 /nfs/dbraw/zinc/75/38/06/854753806.db2.gz GLIWBPFKNWVHPY-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213757386 854753807 /nfs/dbraw/zinc/75/38/07/854753807.db2.gz GLIWBPFKNWVHPY-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213759401 854754832 /nfs/dbraw/zinc/75/48/32/854754832.db2.gz JTHIOSCMRCSNEV-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213759401 854754837 /nfs/dbraw/zinc/75/48/37/854754837.db2.gz JTHIOSCMRCSNEV-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213759401 854754844 /nfs/dbraw/zinc/75/48/44/854754844.db2.gz JTHIOSCMRCSNEV-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860089 854796376 /nfs/dbraw/zinc/79/63/76/854796376.db2.gz SFDRGVNKWLHBKV-GVDBMIGSSA-N 2 2 355.479 0.093 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860089 854796381 /nfs/dbraw/zinc/79/63/81/854796381.db2.gz SFDRGVNKWLHBKV-GVDBMIGSSA-N 2 2 355.479 0.093 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001213892376 854813810 /nfs/dbraw/zinc/81/38/10/854813810.db2.gz CHYIUQBHVJCPIX-ZACQAIPSSA-N 2 2 357.495 0.339 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001213892376 854813818 /nfs/dbraw/zinc/81/38/18/854813818.db2.gz CHYIUQBHVJCPIX-ZACQAIPSSA-N 2 2 357.495 0.339 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001213892376 854813825 /nfs/dbraw/zinc/81/38/25/854813825.db2.gz CHYIUQBHVJCPIX-ZACQAIPSSA-N 2 2 357.495 0.339 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001213892376 854813832 /nfs/dbraw/zinc/81/38/32/854813832.db2.gz CHYIUQBHVJCPIX-ZACQAIPSSA-N 2 2 357.495 0.339 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929537 854831057 /nfs/dbraw/zinc/83/10/57/854831057.db2.gz AGRJQNKWIIVXCP-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929537 854831065 /nfs/dbraw/zinc/83/10/65/854831065.db2.gz AGRJQNKWIIVXCP-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929537 854831069 /nfs/dbraw/zinc/83/10/69/854831069.db2.gz AGRJQNKWIIVXCP-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929537 854831077 /nfs/dbraw/zinc/83/10/77/854831077.db2.gz AGRJQNKWIIVXCP-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929536 854831634 /nfs/dbraw/zinc/83/16/34/854831634.db2.gz AGRJQNKWIIVXCP-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929536 854831635 /nfs/dbraw/zinc/83/16/35/854831635.db2.gz AGRJQNKWIIVXCP-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929536 854831639 /nfs/dbraw/zinc/83/16/39/854831639.db2.gz AGRJQNKWIIVXCP-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929536 854831643 /nfs/dbraw/zinc/83/16/43/854831643.db2.gz AGRJQNKWIIVXCP-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975321 854850761 /nfs/dbraw/zinc/85/07/61/854850761.db2.gz BPGNJVZOFGGRRK-GVDBMIGSSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975321 854850764 /nfs/dbraw/zinc/85/07/64/854850764.db2.gz BPGNJVZOFGGRRK-GVDBMIGSSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214530891 854964488 /nfs/dbraw/zinc/96/44/88/854964488.db2.gz ITFTYKKFGPIMOU-ZIAGYGMSSA-N 2 2 371.507 0.060 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001215269191 855092756 /nfs/dbraw/zinc/09/27/56/855092756.db2.gz PTOYXQACEPVHLR-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)Nc1nccs1 ZINC001215681277 855135452 /nfs/dbraw/zinc/13/54/52/855135452.db2.gz UCYOGQLWGGCTKI-NQBHXWOUSA-N 2 2 362.459 0.872 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685946 855136453 /nfs/dbraw/zinc/13/64/53/855136453.db2.gz WRLCKWIIOCEAGB-UKRRQHHQSA-N 2 2 356.492 0.602 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1)C(C)C ZINC001215978071 855162366 /nfs/dbraw/zinc/16/23/66/855162366.db2.gz XMHYHDOXAAWOPJ-IIAWOOMASA-N 2 2 351.499 0.513 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216062006 855167234 /nfs/dbraw/zinc/16/72/34/855167234.db2.gz VZWNBPIIKWGHBZ-CHWSQXEVSA-N 2 2 350.467 0.486 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001216216848 855180761 /nfs/dbraw/zinc/18/07/61/855180761.db2.gz CVVKOTHMNCPBKH-ZIAGYGMSSA-N 2 2 353.467 0.537 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001216216848 855180766 /nfs/dbraw/zinc/18/07/66/855180766.db2.gz CVVKOTHMNCPBKH-ZIAGYGMSSA-N 2 2 353.467 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001216383512 855196412 /nfs/dbraw/zinc/19/64/12/855196412.db2.gz NHLWHJGUOXIARC-DGCLKSJQSA-N 2 2 362.459 0.494 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001216565571 855212703 /nfs/dbraw/zinc/21/27/03/855212703.db2.gz MTWCXVHDSDTYBI-LALPHHSUSA-N 2 2 356.492 0.378 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216564602 855212861 /nfs/dbraw/zinc/21/28/61/855212861.db2.gz ASKILUZYVXEDLI-IUODEOHRSA-N 2 2 356.492 0.522 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001217001407 855274215 /nfs/dbraw/zinc/27/42/15/855274215.db2.gz UFHATLDCXABQPN-ZIAGYGMSSA-N 2 2 354.476 0.144 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218339820 855416196 /nfs/dbraw/zinc/41/61/96/855416196.db2.gz AJAKAZWXQRJZRV-HRCADAONSA-N 2 2 350.463 0.425 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218339820 855416200 /nfs/dbraw/zinc/41/62/00/855416200.db2.gz AJAKAZWXQRJZRV-HRCADAONSA-N 2 2 350.463 0.425 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524550 855434673 /nfs/dbraw/zinc/43/46/73/855434673.db2.gz ZFSOLBWOKDWQHC-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524550 855434680 /nfs/dbraw/zinc/43/46/80/855434680.db2.gz ZFSOLBWOKDWQHC-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524550 855434685 /nfs/dbraw/zinc/43/46/85/855434685.db2.gz ZFSOLBWOKDWQHC-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524550 855434690 /nfs/dbraw/zinc/43/46/90/855434690.db2.gz ZFSOLBWOKDWQHC-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cncs4)C[C@@H]32)CC1 ZINC001218550736 855438948 /nfs/dbraw/zinc/43/89/48/855438948.db2.gz LPUUCHOZIHDDBJ-LSDHHAIUSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cncs4)C[C@@H]32)CC1 ZINC001218550736 855438952 /nfs/dbraw/zinc/43/89/52/855438952.db2.gz LPUUCHOZIHDDBJ-LSDHHAIUSA-N 2 2 350.488 0.897 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nc(Br)cn2ccnc12 ZINC001218564718 855440203 /nfs/dbraw/zinc/44/02/03/855440203.db2.gz MUKGZNMHBOBMFM-VIFPVBQESA-N 2 2 364.207 0.734 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(N)c(F)cnc1Br ZINC001218572404 855442274 /nfs/dbraw/zinc/44/22/74/855442274.db2.gz XPOSOQMTVORGTF-QMMMGPOBSA-N 2 2 357.187 0.807 20 0 FCADLP CCN(CC)c1nc(Br)cnc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218573035 855442930 /nfs/dbraw/zinc/44/29/30/855442930.db2.gz FKDIEAXSIPWMJD-BDAKNGLRSA-N 2 2 357.256 0.713 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582075 855443513 /nfs/dbraw/zinc/44/35/13/855443513.db2.gz LOZFYBJIIHNIRU-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582075 855443518 /nfs/dbraw/zinc/44/35/18/855443518.db2.gz LOZFYBJIIHNIRU-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582074 855443837 /nfs/dbraw/zinc/44/38/37/855443837.db2.gz LOZFYBJIIHNIRU-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582074 855443838 /nfs/dbraw/zinc/44/38/38/855443838.db2.gz LOZFYBJIIHNIRU-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600045 855446315 /nfs/dbraw/zinc/44/63/15/855446315.db2.gz GUCRUBWQXDCPMG-HRCADAONSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600045 855446316 /nfs/dbraw/zinc/44/63/16/855446316.db2.gz GUCRUBWQXDCPMG-HRCADAONSA-N 2 2 354.495 0.105 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218819430 855482071 /nfs/dbraw/zinc/48/20/71/855482071.db2.gz CWTRBLILFLWJIA-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218819430 855482073 /nfs/dbraw/zinc/48/20/73/855482073.db2.gz CWTRBLILFLWJIA-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CCS(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001218855011 855487613 /nfs/dbraw/zinc/48/76/13/855487613.db2.gz BTNMVPRMNMOWNH-UHFFFAOYSA-N 2 2 355.460 0.769 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218959321 855502557 /nfs/dbraw/zinc/50/25/57/855502557.db2.gz PFCHUHFVVQTVBC-DLBZAZTESA-N 2 2 350.463 0.547 20 0 FCADLP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218959321 855502563 /nfs/dbraw/zinc/50/25/63/855502563.db2.gz PFCHUHFVVQTVBC-DLBZAZTESA-N 2 2 350.463 0.547 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-n2cnc(Br)n2)cc1 ZINC001219251414 855602470 /nfs/dbraw/zinc/60/24/70/855602470.db2.gz CFSHAUDOAXHUOH-QWRGUYRKSA-N 2 2 351.208 0.515 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCCC1 ZINC001219635072 855748329 /nfs/dbraw/zinc/74/83/29/855748329.db2.gz QIFVNKNTRRQXSE-KGLIPLIRSA-N 2 2 363.449 0.694 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCCC1 ZINC001219635072 855748336 /nfs/dbraw/zinc/74/83/36/855748336.db2.gz QIFVNKNTRRQXSE-KGLIPLIRSA-N 2 2 363.449 0.694 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897046 855868974 /nfs/dbraw/zinc/86/89/74/855868974.db2.gz VGGBKEAWWJGQSB-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897046 855868983 /nfs/dbraw/zinc/86/89/83/855868983.db2.gz VGGBKEAWWJGQSB-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219897046 855868989 /nfs/dbraw/zinc/86/89/89/855868989.db2.gz VGGBKEAWWJGQSB-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219897046 855868995 /nfs/dbraw/zinc/86/89/95/855868995.db2.gz VGGBKEAWWJGQSB-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219906440 855874663 /nfs/dbraw/zinc/87/46/63/855874663.db2.gz OBSPSQPEFFNZNV-CVEARBPZSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219906440 855874667 /nfs/dbraw/zinc/87/46/67/855874667.db2.gz OBSPSQPEFFNZNV-CVEARBPZSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219906440 855874671 /nfs/dbraw/zinc/87/46/71/855874671.db2.gz OBSPSQPEFFNZNV-CVEARBPZSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219906440 855874674 /nfs/dbraw/zinc/87/46/74/855874674.db2.gz OBSPSQPEFFNZNV-CVEARBPZSA-N 2 2 352.479 0.937 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCC([NH3+])CC1 ZINC001220039967 855929348 /nfs/dbraw/zinc/92/93/48/855929348.db2.gz ZZCGOSOZVUAFJT-SNQIYURSSA-N 3 2 352.479 0.306 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220359530 856084246 /nfs/dbraw/zinc/08/42/46/856084246.db2.gz PTCDIOJYWIWTNX-SJORKVTESA-N 2 2 353.507 0.696 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220359530 856084253 /nfs/dbraw/zinc/08/42/53/856084253.db2.gz PTCDIOJYWIWTNX-SJORKVTESA-N 2 2 353.507 0.696 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220359530 856084259 /nfs/dbraw/zinc/08/42/59/856084259.db2.gz PTCDIOJYWIWTNX-SJORKVTESA-N 2 2 353.507 0.696 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220359530 856084264 /nfs/dbraw/zinc/08/42/64/856084264.db2.gz PTCDIOJYWIWTNX-SJORKVTESA-N 2 2 353.507 0.696 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220383045 856099383 /nfs/dbraw/zinc/09/93/83/856099383.db2.gz WSDKTFFSAISLOA-ANQUJSFKSA-N 2 2 350.463 0.502 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220383045 856099388 /nfs/dbraw/zinc/09/93/88/856099388.db2.gz WSDKTFFSAISLOA-ANQUJSFKSA-N 2 2 350.463 0.502 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220439314 856126372 /nfs/dbraw/zinc/12/63/72/856126372.db2.gz SJEUYRYBWWQDDH-UAGQMJEPSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220439314 856126380 /nfs/dbraw/zinc/12/63/80/856126380.db2.gz SJEUYRYBWWQDDH-UAGQMJEPSA-N 2 2 350.463 0.812 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220583222 856194241 /nfs/dbraw/zinc/19/42/41/856194241.db2.gz SQBDMVQQDXHNFK-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220583222 856194259 /nfs/dbraw/zinc/19/42/59/856194259.db2.gz SQBDMVQQDXHNFK-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(Br)cc1 ZINC001220607051 856202586 /nfs/dbraw/zinc/20/25/86/856202586.db2.gz HKGCFSPQIOYZBX-WHOFXGATSA-N 3 2 353.264 0.517 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)sn1 ZINC001220637995 856215066 /nfs/dbraw/zinc/21/50/66/856215066.db2.gz RKRBANOQKZVJHZ-CVEARBPZSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)sn1 ZINC001220637995 856215077 /nfs/dbraw/zinc/21/50/77/856215077.db2.gz RKRBANOQKZVJHZ-CVEARBPZSA-N 2 2 368.503 0.224 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220688944 856243199 /nfs/dbraw/zinc/24/31/99/856243199.db2.gz WWYHWHLDJORSAO-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220688944 856243205 /nfs/dbraw/zinc/24/32/05/856243205.db2.gz WWYHWHLDJORSAO-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220688944 856243212 /nfs/dbraw/zinc/24/32/12/856243212.db2.gz WWYHWHLDJORSAO-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220688944 856243219 /nfs/dbraw/zinc/24/32/19/856243219.db2.gz WWYHWHLDJORSAO-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220800037 856306628 /nfs/dbraw/zinc/30/66/28/856306628.db2.gz KRZDZFZTWKKVDH-XUWXXGDYSA-N 2 2 365.861 0.882 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001220816934 856318366 /nfs/dbraw/zinc/31/83/66/856318366.db2.gz HVYCUKNFZLOQLK-OLZOCXBDSA-N 2 2 355.401 0.459 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001220816934 856318355 /nfs/dbraw/zinc/31/83/55/856318355.db2.gz HVYCUKNFZLOQLK-OLZOCXBDSA-N 2 2 355.401 0.459 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001220816934 856318378 /nfs/dbraw/zinc/31/83/78/856318378.db2.gz HVYCUKNFZLOQLK-OLZOCXBDSA-N 2 2 355.401 0.459 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001220816934 856318381 /nfs/dbraw/zinc/31/83/81/856318381.db2.gz HVYCUKNFZLOQLK-OLZOCXBDSA-N 2 2 355.401 0.459 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23CN(C(=O)C[NH+]2CCC2)C3)CC1 ZINC001279240367 862782566 /nfs/dbraw/zinc/78/25/66/862782566.db2.gz WNMGGGQQEUNXCJ-HNNXBMFYSA-N 2 2 366.531 0.237 20 0 FCADLP CCN(CC)C(=O)N1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001220911908 856370276 /nfs/dbraw/zinc/37/02/76/856370276.db2.gz ZAGGAZPNBNHZNO-HNNXBMFYSA-N 2 2 350.467 0.332 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(F)c(OC3CCOCC3)c(F)c2)C1 ZINC001220946999 856387774 /nfs/dbraw/zinc/38/77/74/856387774.db2.gz QJZOYSLKMVOQRP-ABAIWWIYSA-N 2 2 355.385 0.828 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)s1 ZINC001220986139 856409085 /nfs/dbraw/zinc/40/90/85/856409085.db2.gz UJMWSACHFNKMLS-MAZHCROVSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)s1 ZINC001220986139 856409089 /nfs/dbraw/zinc/40/90/89/856409089.db2.gz UJMWSACHFNKMLS-MAZHCROVSA-N 2 2 368.503 0.081 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091369 856457496 /nfs/dbraw/zinc/45/74/96/856457496.db2.gz LULFKJOUOVQVQR-IKGGRYGDSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091369 856457507 /nfs/dbraw/zinc/45/75/07/856457507.db2.gz LULFKJOUOVQVQR-IKGGRYGDSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091369 856457514 /nfs/dbraw/zinc/45/75/14/856457514.db2.gz LULFKJOUOVQVQR-IKGGRYGDSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091369 856457522 /nfs/dbraw/zinc/45/75/22/856457522.db2.gz LULFKJOUOVQVQR-IKGGRYGDSA-N 2 2 353.438 0.361 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560807 856605729 /nfs/dbraw/zinc/60/57/29/856605729.db2.gz ITMOVYMCJKKONB-QBPKDAKJSA-N 2 2 371.547 0.684 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560807 856605733 /nfs/dbraw/zinc/60/57/33/856605733.db2.gz ITMOVYMCJKKONB-QBPKDAKJSA-N 2 2 371.547 0.684 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560807 856605737 /nfs/dbraw/zinc/60/57/37/856605737.db2.gz ITMOVYMCJKKONB-QBPKDAKJSA-N 2 2 371.547 0.684 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560807 856605740 /nfs/dbraw/zinc/60/57/40/856605740.db2.gz ITMOVYMCJKKONB-QBPKDAKJSA-N 2 2 371.547 0.684 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221595208 856620022 /nfs/dbraw/zinc/62/00/22/856620022.db2.gz XJABAACRZKTWNO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221595208 856620028 /nfs/dbraw/zinc/62/00/28/856620028.db2.gz XJABAACRZKTWNO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001221595208 856620033 /nfs/dbraw/zinc/62/00/33/856620033.db2.gz XJABAACRZKTWNO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001221595208 856620039 /nfs/dbraw/zinc/62/00/39/856620039.db2.gz XJABAACRZKTWNO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616718 856625223 /nfs/dbraw/zinc/62/52/23/856625223.db2.gz RTVWJGLHKBSSPY-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616718 856625229 /nfs/dbraw/zinc/62/52/29/856625229.db2.gz RTVWJGLHKBSSPY-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616782 856625409 /nfs/dbraw/zinc/62/54/09/856625409.db2.gz UWYURDQFEHMXNQ-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616782 856625413 /nfs/dbraw/zinc/62/54/13/856625413.db2.gz UWYURDQFEHMXNQ-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001221627096 856628762 /nfs/dbraw/zinc/62/87/62/856628762.db2.gz FBTFTUJZFVEWLI-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001221627096 856628769 /nfs/dbraw/zinc/62/87/69/856628769.db2.gz FBTFTUJZFVEWLI-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001221627096 856628773 /nfs/dbraw/zinc/62/87/73/856628773.db2.gz FBTFTUJZFVEWLI-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001221627096 856628781 /nfs/dbraw/zinc/62/87/81/856628781.db2.gz FBTFTUJZFVEWLI-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001221772100 856677464 /nfs/dbraw/zinc/67/74/64/856677464.db2.gz NCZVIYNQIFGJOV-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001221772100 856677473 /nfs/dbraw/zinc/67/74/73/856677473.db2.gz NCZVIYNQIFGJOV-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221794249 856687183 /nfs/dbraw/zinc/68/71/83/856687183.db2.gz YPTPZGKBHNOAFV-JFIYKMOQSA-N 2 2 352.523 0.878 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221794249 856687185 /nfs/dbraw/zinc/68/71/85/856687185.db2.gz YPTPZGKBHNOAFV-JFIYKMOQSA-N 2 2 352.523 0.878 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221883591 856721732 /nfs/dbraw/zinc/72/17/32/856721732.db2.gz MCRBAVCOPIGXCQ-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221883591 856721736 /nfs/dbraw/zinc/72/17/36/856721736.db2.gz MCRBAVCOPIGXCQ-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221883686 856722542 /nfs/dbraw/zinc/72/25/42/856722542.db2.gz QKLKMFOHXJLOJV-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221883686 856722545 /nfs/dbraw/zinc/72/25/45/856722545.db2.gz QKLKMFOHXJLOJV-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccccc1NS(C)(=O)=O)C2 ZINC001279335747 862832257 /nfs/dbraw/zinc/83/22/57/862832257.db2.gz APBVSLVIOHJTMF-UHFFFAOYSA-N 2 2 352.504 0.737 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949781 856744707 /nfs/dbraw/zinc/74/47/07/856744707.db2.gz IBRCAIAJPSPYCC-HUUCEWRRSA-N 2 2 355.504 0.050 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949781 856744716 /nfs/dbraw/zinc/74/47/16/856744716.db2.gz IBRCAIAJPSPYCC-HUUCEWRRSA-N 2 2 355.504 0.050 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050829 856785665 /nfs/dbraw/zinc/78/56/65/856785665.db2.gz GAVQPTSYLTUMAJ-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050829 856785667 /nfs/dbraw/zinc/78/56/67/856785667.db2.gz GAVQPTSYLTUMAJ-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001222050829 856785669 /nfs/dbraw/zinc/78/56/69/856785669.db2.gz GAVQPTSYLTUMAJ-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001222050829 856785673 /nfs/dbraw/zinc/78/56/73/856785673.db2.gz GAVQPTSYLTUMAJ-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053511 856787805 /nfs/dbraw/zinc/78/78/05/856787805.db2.gz UDPSJDKAJYKXBH-ARFHVFGLSA-N 2 2 359.536 0.540 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053511 856787808 /nfs/dbraw/zinc/78/78/08/856787808.db2.gz UDPSJDKAJYKXBH-ARFHVFGLSA-N 2 2 359.536 0.540 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053511 856787811 /nfs/dbraw/zinc/78/78/11/856787811.db2.gz UDPSJDKAJYKXBH-ARFHVFGLSA-N 2 2 359.536 0.540 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053511 856787815 /nfs/dbraw/zinc/78/78/15/856787815.db2.gz UDPSJDKAJYKXBH-ARFHVFGLSA-N 2 2 359.536 0.540 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(CC(N)=O)CC3)CC2)CC1 ZINC001225639850 857052432 /nfs/dbraw/zinc/05/24/32/857052432.db2.gz JNTXLZJWFQASSO-UHFFFAOYSA-N 2 2 351.495 0.500 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001226565244 857110885 /nfs/dbraw/zinc/11/08/85/857110885.db2.gz XXCYNOXNVWYPID-MGPQQGTHSA-N 2 2 355.462 0.407 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)c[nH+]1 ZINC001227019239 857137700 /nfs/dbraw/zinc/13/77/00/857137700.db2.gz JHQGVNNMKWXGBI-HZPDHXFCSA-N 2 2 352.479 0.953 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001227029050 857138565 /nfs/dbraw/zinc/13/85/65/857138565.db2.gz ZHVKPQCSMXGJSQ-ARFHVFGLSA-N 2 2 351.447 0.657 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227212092 857148476 /nfs/dbraw/zinc/14/84/76/857148476.db2.gz OBCRWXSNOSFGEM-IACUBPJLSA-N 2 2 351.451 0.501 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001279457104 862893224 /nfs/dbraw/zinc/89/32/24/862893224.db2.gz REIVRTYXMYURFB-HOTGVXAUSA-N 2 2 365.459 0.254 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001279457104 862893233 /nfs/dbraw/zinc/89/32/33/862893233.db2.gz REIVRTYXMYURFB-HOTGVXAUSA-N 2 2 365.459 0.254 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)o1 ZINC001229142452 857253460 /nfs/dbraw/zinc/25/34/60/857253460.db2.gz UHNGTOCRBPKQGS-HUUCEWRRSA-N 2 2 351.451 0.617 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229301309 857264424 /nfs/dbraw/zinc/26/44/24/857264424.db2.gz OOLNYSFYGVGZCB-HUUCEWRRSA-N 2 2 351.451 0.122 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+](CC[C@H]1C[NH2+]CCO1)C2 ZINC001235274564 857420738 /nfs/dbraw/zinc/42/07/38/857420738.db2.gz OEGMAQBEPTYLLO-NWANDNLSSA-N 3 2 365.396 0.382 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+](CC[C@H]1C[NH2+]CCO1)C2 ZINC001235274564 857420743 /nfs/dbraw/zinc/42/07/43/857420743.db2.gz OEGMAQBEPTYLLO-NWANDNLSSA-N 3 2 365.396 0.382 20 0 FCADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC001235326347 857422227 /nfs/dbraw/zinc/42/22/27/857422227.db2.gz WNOMHCJHCOKOQO-TXPKVOOTSA-N 3 2 351.491 0.620 20 0 FCADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC001235326347 857422232 /nfs/dbraw/zinc/42/22/32/857422232.db2.gz WNOMHCJHCOKOQO-TXPKVOOTSA-N 3 2 351.491 0.620 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)O1 ZINC001235538876 857426122 /nfs/dbraw/zinc/42/61/22/857426122.db2.gz RJCNOVLUKLYOLQ-VKJFTORMSA-N 2 2 352.479 0.465 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)O1 ZINC001235538876 857426127 /nfs/dbraw/zinc/42/61/27/857426127.db2.gz RJCNOVLUKLYOLQ-VKJFTORMSA-N 2 2 352.479 0.465 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)O1 ZINC001235581711 857429147 /nfs/dbraw/zinc/42/91/47/857429147.db2.gz QEKMPSJWTMVIFE-XHSDSOJGSA-N 2 2 365.499 0.963 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)O1 ZINC001235581711 857429153 /nfs/dbraw/zinc/42/91/53/857429153.db2.gz QEKMPSJWTMVIFE-XHSDSOJGSA-N 2 2 365.499 0.963 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC001238838314 857482556 /nfs/dbraw/zinc/48/25/56/857482556.db2.gz ILVBDBFHRSHQKB-UHFFFAOYSA-N 2 2 356.673 0.929 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC001238838616 857482678 /nfs/dbraw/zinc/48/26/78/857482678.db2.gz KSEURKSBFFXWQX-UHFFFAOYSA-N 2 2 356.673 0.929 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501069 862917955 /nfs/dbraw/zinc/91/79/55/862917955.db2.gz BOTXHWXNASOLMY-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501069 862917961 /nfs/dbraw/zinc/91/79/61/862917961.db2.gz BOTXHWXNASOLMY-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501069 862917970 /nfs/dbraw/zinc/91/79/70/862917970.db2.gz BOTXHWXNASOLMY-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501069 862917981 /nfs/dbraw/zinc/91/79/81/862917981.db2.gz BOTXHWXNASOLMY-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502320 862919597 /nfs/dbraw/zinc/91/95/97/862919597.db2.gz PQMSEARETWWRQJ-MJBXVCDLSA-N 2 2 364.412 0.985 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502320 862919608 /nfs/dbraw/zinc/91/96/08/862919608.db2.gz PQMSEARETWWRQJ-MJBXVCDLSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502320 862919616 /nfs/dbraw/zinc/91/96/16/862919616.db2.gz PQMSEARETWWRQJ-MJBXVCDLSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502320 862919628 /nfs/dbraw/zinc/91/96/28/862919628.db2.gz PQMSEARETWWRQJ-MJBXVCDLSA-N 2 2 364.412 0.985 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364439 857526491 /nfs/dbraw/zinc/52/64/91/857526491.db2.gz XYAMDNMLPDIFHU-OAHLLOKOSA-N 3 2 355.552 0.047 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001239424970 857527979 /nfs/dbraw/zinc/52/79/79/857527979.db2.gz ROOPNLAOYYMILQ-KRWDZBQOSA-N 2 2 355.552 0.001 20 0 FCADLP CCCOC[C@H](O)C[N@@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246034680 857565872 /nfs/dbraw/zinc/56/58/72/857565872.db2.gz RPGDGQYEFSNUPW-YUELXQCFSA-N 2 2 368.396 0.791 20 0 FCADLP CCCOC[C@H](O)C[N@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246034680 857565883 /nfs/dbraw/zinc/56/58/83/857565883.db2.gz RPGDGQYEFSNUPW-YUELXQCFSA-N 2 2 368.396 0.791 20 0 FCADLP O=S(=O)(c1ccc(F)cc1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246592878 857586228 /nfs/dbraw/zinc/58/62/28/857586228.db2.gz QVYKJVPXZPZCDV-HNNXBMFYSA-N 2 2 368.478 0.226 20 0 FCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)C[NH2+]1 ZINC001246753913 857597987 /nfs/dbraw/zinc/59/79/87/857597987.db2.gz DRXKIYITWBVFTL-BRWVUGGUSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)C[NH2+]1 ZINC001246754571 857598676 /nfs/dbraw/zinc/59/86/76/857598676.db2.gz DRXKIYITWBVFTL-ZACQAIPSSA-N 2 2 351.491 0.857 20 0 FCADLP CCOC(=O)[C@]12C[N@@H+](C3CC[NH+](CCCOC)CC3)C[C@H]1C[NH2+]CC2 ZINC001246855429 857602834 /nfs/dbraw/zinc/60/28/34/857602834.db2.gz MRWDGKQMAYTZJN-VQIMIIECSA-N 3 2 353.507 0.962 20 0 FCADLP CCOC(=O)[C@]12C[N@H+](C3CC[NH+](CCCOC)CC3)C[C@H]1C[NH2+]CC2 ZINC001246855429 857602845 /nfs/dbraw/zinc/60/28/45/857602845.db2.gz MRWDGKQMAYTZJN-VQIMIIECSA-N 3 2 353.507 0.962 20 0 FCADLP O[C@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001251009459 857679310 /nfs/dbraw/zinc/67/93/10/857679310.db2.gz OEGIBZXHDPVCOW-BRWVUGGUSA-N 2 2 351.516 0.805 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001253185238 857870324 /nfs/dbraw/zinc/87/03/24/857870324.db2.gz PFLXJVQINPTWDB-YLFCFFPRSA-N 2 2 355.479 0.475 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001253185238 857870326 /nfs/dbraw/zinc/87/03/26/857870326.db2.gz PFLXJVQINPTWDB-YLFCFFPRSA-N 2 2 355.479 0.475 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185528 857870448 /nfs/dbraw/zinc/87/04/48/857870448.db2.gz GXPAXAHQIDSQEF-IAGOWNOFSA-N 2 2 361.552 0.969 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185528 857870451 /nfs/dbraw/zinc/87/04/51/857870451.db2.gz GXPAXAHQIDSQEF-IAGOWNOFSA-N 2 2 361.552 0.969 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC2 ZINC001253675633 857901685 /nfs/dbraw/zinc/90/16/85/857901685.db2.gz ADDFSMJGKPCXQU-CQSZACIVSA-N 2 2 355.479 0.365 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC2 ZINC001253675633 857901694 /nfs/dbraw/zinc/90/16/94/857901694.db2.gz ADDFSMJGKPCXQU-CQSZACIVSA-N 2 2 355.479 0.365 20 0 FCADLP CS(=O)(=O)N(C1C[NH2+]C1)C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255007020 857994773 /nfs/dbraw/zinc/99/47/73/857994773.db2.gz PHTXADGUBDBWFO-ALOPSCKCSA-N 2 2 365.499 0.652 20 0 FCADLP CS(=O)(=O)N(C1C[NH2+]C1)C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001255007020 857994778 /nfs/dbraw/zinc/99/47/78/857994778.db2.gz PHTXADGUBDBWFO-ALOPSCKCSA-N 2 2 365.499 0.652 20 0 FCADLP C[C@@H](CC(F)(F)F)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001255646974 858027001 /nfs/dbraw/zinc/02/70/01/858027001.db2.gz UBDUQIKCYQLHSH-DLOVCJGASA-N 2 2 361.368 0.743 20 0 FCADLP CCN1C[C@@]23C[N@@H+](C4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001255678346 858028735 /nfs/dbraw/zinc/02/87/35/858028735.db2.gz YTYJIJKJFXEPLK-GLHLROKDSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[N@H+](C4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001255678346 858028742 /nfs/dbraw/zinc/02/87/42/858028742.db2.gz YTYJIJKJFXEPLK-GLHLROKDSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[NH+](C4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001255678346 858028749 /nfs/dbraw/zinc/02/87/49/858028749.db2.gz YTYJIJKJFXEPLK-GLHLROKDSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[NH+](C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001255678346 858028754 /nfs/dbraw/zinc/02/87/54/858028754.db2.gz YTYJIJKJFXEPLK-GLHLROKDSA-N 2 2 369.531 0.879 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC001256207959 858056759 /nfs/dbraw/zinc/05/67/59/858056759.db2.gz SAZHYCAIASWQHV-IEBWSBKVSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC001256207959 858056766 /nfs/dbraw/zinc/05/67/66/858056766.db2.gz SAZHYCAIASWQHV-IEBWSBKVSA-N 2 2 351.491 0.811 20 0 FCADLP CN(C)S(=O)(=O)N1CCC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279617169 862982000 /nfs/dbraw/zinc/98/20/00/862982000.db2.gz RYPWJNRYRWSUFW-KRWDZBQOSA-N 2 2 367.519 0.979 20 0 FCADLP CN(C)S(=O)(=O)N1CCC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279617169 862982008 /nfs/dbraw/zinc/98/20/08/862982008.db2.gz RYPWJNRYRWSUFW-KRWDZBQOSA-N 2 2 367.519 0.979 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C[C@H]1C(=O)OC ZINC001257749899 858159815 /nfs/dbraw/zinc/15/98/15/858159815.db2.gz UCGHRFPFQHTXJB-NUEKZKHPSA-N 2 2 353.463 0.049 20 0 FCADLP COC(=O)CC[C@@H](C)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258372469 858194304 /nfs/dbraw/zinc/19/43/04/858194304.db2.gz RGOUHOGPFUBZKT-GFCCVEGCSA-N 2 2 352.435 0.666 20 0 FCADLP COC(=O)CC[C@@H](C)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258372469 858194308 /nfs/dbraw/zinc/19/43/08/858194308.db2.gz RGOUHOGPFUBZKT-GFCCVEGCSA-N 2 2 352.435 0.666 20 0 FCADLP CC(C)CSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258414093 858197564 /nfs/dbraw/zinc/19/75/64/858197564.db2.gz RBASWPDKKXIIOV-OAHLLOKOSA-N 2 2 370.563 0.777 20 0 FCADLP CC(C)CSCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258414093 858197567 /nfs/dbraw/zinc/19/75/67/858197567.db2.gz RBASWPDKKXIIOV-OAHLLOKOSA-N 2 2 370.563 0.777 20 0 FCADLP COCC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)N(C)C)CC2)CC1 ZINC001279720700 863023336 /nfs/dbraw/zinc/02/33/36/863023336.db2.gz HKFPMBQUKRJGIN-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001261495182 858568841 /nfs/dbraw/zinc/56/88/41/858568841.db2.gz VANIFMUNWAMGTB-LBPRGKRZSA-N 2 2 354.405 0.332 20 0 FCADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001261495181 858568880 /nfs/dbraw/zinc/56/88/80/858568880.db2.gz VANIFMUNWAMGTB-GFCCVEGCSA-N 2 2 354.405 0.332 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262378996 858894184 /nfs/dbraw/zinc/89/41/84/858894184.db2.gz PTVIIVJIHMSWBQ-SOUVJXGZSA-N 2 2 355.508 0.700 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262378996 858894193 /nfs/dbraw/zinc/89/41/93/858894193.db2.gz PTVIIVJIHMSWBQ-SOUVJXGZSA-N 2 2 355.508 0.700 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001272468355 860161120 /nfs/dbraw/zinc/16/11/20/860161120.db2.gz YMHKUDRVLGTVOG-QLFBSQMISA-N 2 2 361.471 0.914 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001272468355 860161124 /nfs/dbraw/zinc/16/11/24/860161124.db2.gz YMHKUDRVLGTVOG-QLFBSQMISA-N 2 2 361.471 0.914 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273218299 860413062 /nfs/dbraw/zinc/41/30/62/860413062.db2.gz SPPKEEKAKKHBJN-IXDOHACOSA-N 2 2 355.479 0.108 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273218299 860413065 /nfs/dbraw/zinc/41/30/65/860413065.db2.gz SPPKEEKAKKHBJN-IXDOHACOSA-N 2 2 355.479 0.108 20 0 FCADLP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2CC1 ZINC001273218299 860413071 /nfs/dbraw/zinc/41/30/71/860413071.db2.gz SPPKEEKAKKHBJN-IXDOHACOSA-N 2 2 355.479 0.108 20 0 FCADLP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2CC1 ZINC001273218299 860413077 /nfs/dbraw/zinc/41/30/77/860413077.db2.gz SPPKEEKAKKHBJN-IXDOHACOSA-N 2 2 355.479 0.108 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273510656 860512710 /nfs/dbraw/zinc/51/27/10/860512710.db2.gz HFZFRFSTKWSXHV-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273510656 860512716 /nfs/dbraw/zinc/51/27/16/860512716.db2.gz HFZFRFSTKWSXHV-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001273510656 860512725 /nfs/dbraw/zinc/51/27/25/860512725.db2.gz HFZFRFSTKWSXHV-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001273510656 860512732 /nfs/dbraw/zinc/51/27/32/860512732.db2.gz HFZFRFSTKWSXHV-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP CC[C@@H](C)C[NH+]1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068471 860926709 /nfs/dbraw/zinc/92/67/09/860926709.db2.gz HPFQTNICNNRKSE-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP C[C@H]1C[C@@H]1C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275324333 861030896 /nfs/dbraw/zinc/03/08/96/861030896.db2.gz GBGQLCDOKXBHME-DLBZAZTESA-N 2 2 350.507 0.193 20 0 FCADLP COC(C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1)OC ZINC001275493695 861111748 /nfs/dbraw/zinc/11/17/48/861111748.db2.gz MZLBAFIEZOCIMM-KRWDZBQOSA-N 2 2 352.435 0.053 20 0 FCADLP COC(C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1)OC ZINC001275493695 861111758 /nfs/dbraw/zinc/11/17/58/861111758.db2.gz MZLBAFIEZOCIMM-KRWDZBQOSA-N 2 2 352.435 0.053 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507311 861115312 /nfs/dbraw/zinc/11/53/12/861115312.db2.gz AIFYIIRUMBVLBM-IBGZPJMESA-N 3 2 354.539 0.687 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275507311 861115315 /nfs/dbraw/zinc/11/53/15/861115315.db2.gz AIFYIIRUMBVLBM-IBGZPJMESA-N 3 2 354.539 0.687 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCSC12C[NH+](CC(=O)N(C)C)C2 ZINC001279914666 863134328 /nfs/dbraw/zinc/13/43/28/863134328.db2.gz TUSCTAKOBZTPSE-OAHLLOKOSA-N 2 2 370.563 0.682 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001280303609 863397384 /nfs/dbraw/zinc/39/73/84/863397384.db2.gz ZIMKVYYAFDMESB-GOSISDBHSA-N 2 2 351.495 0.230 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001280303609 863397400 /nfs/dbraw/zinc/39/74/00/863397400.db2.gz ZIMKVYYAFDMESB-GOSISDBHSA-N 2 2 351.495 0.230 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC001349643919 866402077 /nfs/dbraw/zinc/40/20/77/866402077.db2.gz JAVUYJNSDADBCW-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814915 866698132 /nfs/dbraw/zinc/69/81/32/866698132.db2.gz MZLWXSBDCWOMFW-YESZJQIVSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814915 866698140 /nfs/dbraw/zinc/69/81/40/866698140.db2.gz MZLWXSBDCWOMFW-YESZJQIVSA-N 2 2 355.527 0.277 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001351422401 866855741 /nfs/dbraw/zinc/85/57/41/866855741.db2.gz ZEMGHBMVHAGQKS-UHFFFAOYSA-N 2 2 351.451 0.672 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001351422401 866855755 /nfs/dbraw/zinc/85/57/55/866855755.db2.gz ZEMGHBMVHAGQKS-UHFFFAOYSA-N 2 2 351.451 0.672 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC(F)CC3)CC2)CC1 ZINC001353671099 867467729 /nfs/dbraw/zinc/46/77/29/867467729.db2.gz BCBNUETZSKZOTR-UHFFFAOYSA-N 2 2 354.470 0.622 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC001319090375 867825858 /nfs/dbraw/zinc/82/58/58/867825858.db2.gz XQGGJFHFZDYFHO-UHFFFAOYSA-N 2 2 351.451 0.435 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001319772986 867997056 /nfs/dbraw/zinc/99/70/56/867997056.db2.gz RKQPVWVAJWJLKS-HUUCEWRRSA-N 2 2 356.492 0.802 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)O)cc2)CC1 ZINC001357429974 868113315 /nfs/dbraw/zinc/11/33/15/868113315.db2.gz BLNMNCLJGAAOFM-MRXNPFEDSA-N 2 2 350.463 0.350 20 0 FCADLP COC(=O)NC1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001320313189 868138685 /nfs/dbraw/zinc/13/86/85/868138685.db2.gz MANDDHAYGGNURV-UHFFFAOYSA-N 2 2 353.467 0.295 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC001321774067 868606754 /nfs/dbraw/zinc/60/67/54/868606754.db2.gz WOBQQMHOEZBCFB-CYBMUJFWSA-N 2 2 353.492 0.109 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725976 868920480 /nfs/dbraw/zinc/92/04/80/868920480.db2.gz ZGYDRYGOJGRXCD-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725976 868920488 /nfs/dbraw/zinc/92/04/88/868920488.db2.gz ZGYDRYGOJGRXCD-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)C(=O)NCCC1(C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324132259 869482256 /nfs/dbraw/zinc/48/22/56/869482256.db2.gz ZTAWCARNCRNCPW-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)C(=O)NCCC1(C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324132259 869482261 /nfs/dbraw/zinc/48/22/61/869482261.db2.gz ZTAWCARNCRNCPW-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC(F)(F)C1 ZINC001326546469 870375531 /nfs/dbraw/zinc/37/55/31/870375531.db2.gz AZWZGCFEWSERPC-UHFFFAOYSA-N 2 2 360.449 0.729 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC(F)(F)C1 ZINC001326546469 870375547 /nfs/dbraw/zinc/37/55/47/870375547.db2.gz AZWZGCFEWSERPC-UHFFFAOYSA-N 2 2 360.449 0.729 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001328490204 871459349 /nfs/dbraw/zinc/45/93/49/871459349.db2.gz LBNDEFMWLGOFMP-STQMWFEESA-N 3 2 350.467 0.344 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001328490204 871459358 /nfs/dbraw/zinc/45/93/58/871459358.db2.gz LBNDEFMWLGOFMP-STQMWFEESA-N 3 2 350.467 0.344 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001346016373 871604465 /nfs/dbraw/zinc/60/44/65/871604465.db2.gz BKTJQORQRHYMEP-HZPDHXFCSA-N 2 2 371.547 0.876 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001346016373 871604469 /nfs/dbraw/zinc/60/44/69/871604469.db2.gz BKTJQORQRHYMEP-HZPDHXFCSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346160463 871677310 /nfs/dbraw/zinc/67/73/10/871677310.db2.gz SCSMUZIWJOXDCZ-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346160463 871677315 /nfs/dbraw/zinc/67/73/15/871677315.db2.gz SCSMUZIWJOXDCZ-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001346169202 871682083 /nfs/dbraw/zinc/68/20/83/871682083.db2.gz HHELOTHSVJBKBN-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001346169202 871682092 /nfs/dbraw/zinc/68/20/92/871682092.db2.gz HHELOTHSVJBKBN-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328923945 871715731 /nfs/dbraw/zinc/71/57/31/871715731.db2.gz WBMRUWDCWYEQLE-CABCVRRESA-N 2 2 350.507 0.776 20 0 FCADLP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328923945 871715734 /nfs/dbraw/zinc/71/57/34/871715734.db2.gz WBMRUWDCWYEQLE-CABCVRRESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346303713 871761810 /nfs/dbraw/zinc/76/18/10/871761810.db2.gz DGLHWPAZZCZVPO-HNNXBMFYSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346303713 871761829 /nfs/dbraw/zinc/76/18/29/871761829.db2.gz DGLHWPAZZCZVPO-HNNXBMFYSA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309383 871765821 /nfs/dbraw/zinc/76/58/21/871765821.db2.gz XOSIHKMMUKLUKA-AWEZNQCLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309383 871765829 /nfs/dbraw/zinc/76/58/29/871765829.db2.gz XOSIHKMMUKLUKA-AWEZNQCLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309384 871765897 /nfs/dbraw/zinc/76/58/97/871765897.db2.gz XOSIHKMMUKLUKA-CQSZACIVSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C)(C)C3(C)C)C2)CC1 ZINC001346309384 871765903 /nfs/dbraw/zinc/76/59/03/871765903.db2.gz XOSIHKMMUKLUKA-CQSZACIVSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001346606428 871927968 /nfs/dbraw/zinc/92/79/68/871927968.db2.gz MYRJBMGNEFXIAG-NXOAAHMSSA-N 2 2 353.511 0.125 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346606428 871927981 /nfs/dbraw/zinc/92/79/81/871927981.db2.gz MYRJBMGNEFXIAG-NXOAAHMSSA-N 2 2 353.511 0.125 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001347184054 872206145 /nfs/dbraw/zinc/20/61/45/872206145.db2.gz DMZUZHDPRQTXCB-HZPDHXFCSA-N 2 2 355.527 0.373 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347184054 872206158 /nfs/dbraw/zinc/20/61/58/872206158.db2.gz DMZUZHDPRQTXCB-HZPDHXFCSA-N 2 2 355.527 0.373 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001330162029 872500766 /nfs/dbraw/zinc/50/07/66/872500766.db2.gz HAOZZSTZPPJDGB-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001330162029 872500785 /nfs/dbraw/zinc/50/07/85/872500785.db2.gz HAOZZSTZPPJDGB-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP CC(=O)NC1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001348841273 872809308 /nfs/dbraw/zinc/80/93/08/872809308.db2.gz FYLSBCRULRXYSD-JCYILVPMSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)NC1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001348841273 872809320 /nfs/dbraw/zinc/80/93/20/872809320.db2.gz FYLSBCRULRXYSD-JCYILVPMSA-N 2 2 350.507 0.966 20 0 FCADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC001330831381 872833555 /nfs/dbraw/zinc/83/35/55/872833555.db2.gz KNZBWYKVOPVHHY-HNNXBMFYSA-N 2 2 371.503 0.569 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001331504347 873127329 /nfs/dbraw/zinc/12/73/29/873127329.db2.gz QJVNQGUDFCGFNF-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001332152109 873394000 /nfs/dbraw/zinc/39/40/00/873394000.db2.gz JOSGNPYRQWZLFE-CYBMUJFWSA-N 2 2 350.492 0.182 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822997092 946256308 /nfs/dbraw/zinc/25/63/08/946256308.db2.gz MYBXPIZCDMEPDK-UHFFFAOYSA-N 2 2 355.446 0.607 20 0 FCADLP O=C(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NCC1CC1 ZINC000826412366 948252373 /nfs/dbraw/zinc/25/23/73/948252373.db2.gz LMFDEYCYVRFNJV-UHFFFAOYSA-N 2 2 369.473 0.947 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574941197 949295746 /nfs/dbraw/zinc/29/57/46/949295746.db2.gz BPKOODILCTZNLX-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574941197 949295766 /nfs/dbraw/zinc/29/57/66/949295766.db2.gz BPKOODILCTZNLX-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574949472 949499377 /nfs/dbraw/zinc/49/93/77/949499377.db2.gz XIWZXPQBYHRVOK-LBPRGKRZSA-N 2 2 369.433 0.620 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574954990 949561616 /nfs/dbraw/zinc/56/16/16/949561616.db2.gz ABQZJPPOEVJEMQ-DOMZBBRYSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574954990 949561629 /nfs/dbraw/zinc/56/16/29/949561629.db2.gz ABQZJPPOEVJEMQ-DOMZBBRYSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575881833 949739591 /nfs/dbraw/zinc/73/95/91/949739591.db2.gz BTLQBFCITMZCMZ-JSGCOSHPSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286488 949983746 /nfs/dbraw/zinc/98/37/46/949983746.db2.gz XDFUSIIACOWIGI-NWDGAFQWSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286488 949983762 /nfs/dbraw/zinc/98/37/62/949983762.db2.gz XDFUSIIACOWIGI-NWDGAFQWSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574733196 950102501 /nfs/dbraw/zinc/10/25/01/950102501.db2.gz VIUQUJQDEAEZKG-LLVKDONJSA-N 2 2 360.447 0.761 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576193717 950312376 /nfs/dbraw/zinc/31/23/76/950312376.db2.gz VOPCMVVHWBCGCE-CQSZACIVSA-N 2 2 369.473 0.851 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576193717 950312397 /nfs/dbraw/zinc/31/23/97/950312397.db2.gz VOPCMVVHWBCGCE-CQSZACIVSA-N 2 2 369.473 0.851 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575911709 950452992 /nfs/dbraw/zinc/45/29/92/950452992.db2.gz PKBJYSKGQKAXAD-XJKSGUPXSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576205664 950534597 /nfs/dbraw/zinc/53/45/97/950534597.db2.gz MCJPWJPXIYMUHO-CQSZACIVSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079942 951700900 /nfs/dbraw/zinc/70/09/00/951700900.db2.gz TZDRTFQALHWONF-LLVKDONJSA-N 2 2 372.408 0.814 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575080066 951702751 /nfs/dbraw/zinc/70/27/51/951702751.db2.gz KGDKEAJMVRWGQD-GFCCVEGCSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575091082 951768786 /nfs/dbraw/zinc/76/87/86/951768786.db2.gz NQVGKQVXMXVYPJ-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575107102 951912693 /nfs/dbraw/zinc/91/26/93/951912693.db2.gz YVLRUCYBFHJKJL-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571070151 952038988 /nfs/dbraw/zinc/03/89/88/952038988.db2.gz MXGARYYRIMHWIE-ZDUSSCGKSA-N 2 2 370.392 0.662 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cn2cc[nH+]c12 ZINC000293233641 214157494 /nfs/dbraw/zinc/15/74/94/214157494.db2.gz CBKORDSMVAYEBP-CQSZACIVSA-N 2 2 372.429 0.037 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cn2cc[nH+]c12 ZINC000293233641 214157497 /nfs/dbraw/zinc/15/74/97/214157497.db2.gz CBKORDSMVAYEBP-CQSZACIVSA-N 2 2 372.429 0.037 20 0 FCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@H](O)Cc1ccccc1 ZINC000293462942 214175855 /nfs/dbraw/zinc/17/58/55/214175855.db2.gz WVQYGNSFJJCMBH-GOSISDBHSA-N 2 2 363.502 0.749 20 0 FCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@H](O)Cc1ccccc1 ZINC000293462942 214175857 /nfs/dbraw/zinc/17/58/57/214175857.db2.gz WVQYGNSFJJCMBH-GOSISDBHSA-N 2 2 363.502 0.749 20 0 FCADLP CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000294759306 214263348 /nfs/dbraw/zinc/26/33/48/214263348.db2.gz IWLFZNLPIJUZKB-INIZCTEOSA-N 2 2 362.478 0.891 20 0 FCADLP CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000294759306 214263352 /nfs/dbraw/zinc/26/33/52/214263352.db2.gz IWLFZNLPIJUZKB-INIZCTEOSA-N 2 2 362.478 0.891 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000294764094 214263368 /nfs/dbraw/zinc/26/33/68/214263368.db2.gz FGCNFESWKUQGNW-RRCSTGOVSA-N 2 2 358.446 0.671 20 0 FCADLP COC(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1C ZINC000294786124 214264854 /nfs/dbraw/zinc/26/48/54/214264854.db2.gz NZOZXXOXRDAAPR-UHFFFAOYSA-N 2 2 350.463 0.910 20 0 FCADLP COC(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1C ZINC000294786124 214264855 /nfs/dbraw/zinc/26/48/55/214264855.db2.gz NZOZXXOXRDAAPR-UHFFFAOYSA-N 2 2 350.463 0.910 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265921169 210250215 /nfs/dbraw/zinc/25/02/15/210250215.db2.gz UQXURTCULOVVRF-IBGZPJMESA-N 2 2 374.485 0.168 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265921169 210250220 /nfs/dbraw/zinc/25/02/20/210250220.db2.gz UQXURTCULOVVRF-IBGZPJMESA-N 2 2 374.485 0.168 20 0 FCADLP COc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1OC ZINC000265861632 210238114 /nfs/dbraw/zinc/23/81/14/210238114.db2.gz 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2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332386704 215142336 /nfs/dbraw/zinc/14/23/36/215142336.db2.gz YGBBRKDSZQZOKO-VQHPVUNQSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000332525013 215168042 /nfs/dbraw/zinc/16/80/42/215168042.db2.gz RKLZENNOYDAEOP-ZBFHGGJFSA-N 2 2 359.474 0.482 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332548562 215176948 /nfs/dbraw/zinc/17/69/48/215176948.db2.gz OIAVLMQLUHLWJT-UHFFFAOYSA-N 2 2 360.458 0.970 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C2 ZINC000332608191 215189199 /nfs/dbraw/zinc/18/91/99/215189199.db2.gz FFCATDWIJXOROX-KBPBESRZSA-N 2 2 361.490 0.872 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C[C@H]1[NH+]1CCOCC1 ZINC000332709610 215206092 /nfs/dbraw/zinc/20/60/92/215206092.db2.gz YMUDJYFDSPEWPE-ZMSDIMECSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332774720 215211593 /nfs/dbraw/zinc/21/15/93/215211593.db2.gz LYRDXLWKBCNUNE-IJEWVQPXSA-N 2 2 351.495 0.321 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332774720 215211595 /nfs/dbraw/zinc/21/15/95/215211595.db2.gz LYRDXLWKBCNUNE-IJEWVQPXSA-N 2 2 351.495 0.321 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@]3(CCOC3)C2)C1 ZINC000332958280 215219415 /nfs/dbraw/zinc/21/94/15/215219415.db2.gz FTZTZVNLOYZUSF-ZHALLVOQSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@]3(CCOC3)C2)C1 ZINC000332958280 215219418 /nfs/dbraw/zinc/21/94/18/215219418.db2.gz FTZTZVNLOYZUSF-ZHALLVOQSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)C1 ZINC000332958280 215219422 /nfs/dbraw/zinc/21/94/22/215219422.db2.gz FTZTZVNLOYZUSF-ZHALLVOQSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)C1 ZINC000332958280 215219425 /nfs/dbraw/zinc/21/94/25/215219425.db2.gz FTZTZVNLOYZUSF-ZHALLVOQSA-N 2 2 369.506 0.339 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC000333252981 215255367 /nfs/dbraw/zinc/25/53/67/215255367.db2.gz SHORDDHUUDLTCM-GIOYIUAESA-N 2 2 368.522 0.990 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC000333252981 215255372 /nfs/dbraw/zinc/25/53/72/215255372.db2.gz SHORDDHUUDLTCM-GIOYIUAESA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000333297604 215259546 /nfs/dbraw/zinc/25/95/46/215259546.db2.gz SIJXWKUFOTWONZ-ZFWWWQNUSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000333297604 215259549 /nfs/dbraw/zinc/25/95/49/215259549.db2.gz SIJXWKUFOTWONZ-ZFWWWQNUSA-N 2 2 353.467 0.514 20 0 FCADLP 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C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)CC(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000333297601 215259838 /nfs/dbraw/zinc/25/98/38/215259838.db2.gz SIJXWKUFOTWONZ-DZGCQCFKSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333632515 215303779 /nfs/dbraw/zinc/30/37/79/215303779.db2.gz GWCGCQHHLZOCLL-JKSUJKDBSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333632513 215303959 /nfs/dbraw/zinc/30/39/59/215303959.db2.gz GWCGCQHHLZOCLL-HZPDHXFCSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333655866 215306850 /nfs/dbraw/zinc/30/68/50/215306850.db2.gz KQUPBQXTFJRPLV-OCCSQVGLSA-N 2 2 358.450 0.335 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000333811784 215321260 /nfs/dbraw/zinc/32/12/60/215321260.db2.gz GUXINQPUYYAOIE-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000333811784 215321263 /nfs/dbraw/zinc/32/12/63/215321263.db2.gz GUXINQPUYYAOIE-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333835780 215323626 /nfs/dbraw/zinc/32/36/26/215323626.db2.gz NKYDVDGNLQHMMN-HZPDHXFCSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000333876016 215327716 /nfs/dbraw/zinc/32/77/16/215327716.db2.gz VHQYGOMEBGJCMS-IKGGRYGDSA-N 2 2 365.522 0.713 20 0 FCADLP CCCN1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000334053294 215340391 /nfs/dbraw/zinc/34/03/91/215340391.db2.gz SSXDBCNLEWHVML-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000285731867 213385379 /nfs/dbraw/zinc/38/53/79/213385379.db2.gz BTAUSDYGWUCIPM-GJZGRUSLSA-N 2 2 363.462 0.200 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000285588262 213363392 /nfs/dbraw/zinc/36/33/92/213363392.db2.gz KZBUQEYKLRNSFU-MRXNPFEDSA-N 2 2 365.478 0.205 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000285353579 213329693 /nfs/dbraw/zinc/32/96/93/213329693.db2.gz VIBCLFSEBDNMMH-HNNXBMFYSA-N 2 2 368.441 0.790 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCCNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000285259183 213312203 /nfs/dbraw/zinc/31/22/03/213312203.db2.gz QHZXGINEBXLEOL-HNNXBMFYSA-N 2 2 363.462 0.084 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000285255361 213311819 /nfs/dbraw/zinc/31/18/19/213311819.db2.gz YFCUJCQSFKQTEF-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000285255361 213311820 /nfs/dbraw/zinc/31/18/20/213311820.db2.gz YFCUJCQSFKQTEF-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000285255361 213311823 /nfs/dbraw/zinc/31/18/23/213311823.db2.gz YFCUJCQSFKQTEF-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000285255361 213311826 /nfs/dbraw/zinc/31/18/26/213311826.db2.gz YFCUJCQSFKQTEF-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000285065231 213277091 /nfs/dbraw/zinc/27/70/91/213277091.db2.gz JAYRUNPHMRWKIY-VYDXJSESSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000285065231 213277092 /nfs/dbraw/zinc/27/70/92/213277092.db2.gz JAYRUNPHMRWKIY-VYDXJSESSA-N 2 2 359.474 0.893 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)C1CC1 ZINC000285067168 213276033 /nfs/dbraw/zinc/27/60/33/213276033.db2.gz OUVICCDNHMZREC-UHFFFAOYSA-N 2 2 350.488 0.433 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)C1CC1 ZINC000285067168 213276036 /nfs/dbraw/zinc/27/60/36/213276036.db2.gz OUVICCDNHMZREC-UHFFFAOYSA-N 2 2 350.488 0.433 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000285067168 213276038 /nfs/dbraw/zinc/27/60/38/213276038.db2.gz OUVICCDNHMZREC-UHFFFAOYSA-N 2 2 350.488 0.433 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C1CC1 ZINC000285067168 213276042 /nfs/dbraw/zinc/27/60/42/213276042.db2.gz OUVICCDNHMZREC-UHFFFAOYSA-N 2 2 350.488 0.433 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000285006472 213265649 /nfs/dbraw/zinc/26/56/49/213265649.db2.gz MGCIBLPTDILOIZ-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000285006472 213265653 /nfs/dbraw/zinc/26/56/53/213265653.db2.gz MGCIBLPTDILOIZ-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[N@H+](C)C1CC1 ZINC000285006472 213265656 /nfs/dbraw/zinc/26/56/56/213265656.db2.gz MGCIBLPTDILOIZ-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[N@@H+](C)C1CC1 ZINC000285006472 213265657 /nfs/dbraw/zinc/26/56/57/213265657.db2.gz MGCIBLPTDILOIZ-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363269638 215503964 /nfs/dbraw/zinc/50/39/64/215503964.db2.gz JNFKMBVNTUDGEZ-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000284849133 213233775 /nfs/dbraw/zinc/23/37/75/213233775.db2.gz CQXMNQPSPXRUKB-UHFFFAOYSA-N 2 2 373.482 0.654 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c[nH+]1 ZINC000284739658 213209860 /nfs/dbraw/zinc/20/98/60/213209860.db2.gz ZWEVSHPNRISNFZ-CVEARBPZSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c[nH+]1 ZINC000284739658 213209863 /nfs/dbraw/zinc/20/98/63/213209863.db2.gz ZWEVSHPNRISNFZ-CVEARBPZSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c[nH+]1 ZINC000284698974 213200357 /nfs/dbraw/zinc/20/03/57/213200357.db2.gz WQIXJEQIAJNBQR-UHFFFAOYSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000284535819 213163430 /nfs/dbraw/zinc/16/34/30/213163430.db2.gz UPCAUBNXQDTOAH-SOUVJXGZSA-N 2 2 366.462 0.224 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NCCn3cc[nH+]c3)cn2)CC1 ZINC000284171463 213089884 /nfs/dbraw/zinc/08/98/84/213089884.db2.gz ZEBWNQGDVPQLKD-UHFFFAOYSA-N 2 2 370.457 0.947 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NCCn3cc[nH+]c3)c[nH+]2)CC1 ZINC000284171463 213089888 /nfs/dbraw/zinc/08/98/88/213089888.db2.gz ZEBWNQGDVPQLKD-UHFFFAOYSA-N 2 2 370.457 0.947 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000284147618 213085699 /nfs/dbraw/zinc/08/56/99/213085699.db2.gz YWHKRQBPSVFFET-OAHLLOKOSA-N 2 2 370.457 0.816 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000284130012 213081536 /nfs/dbraw/zinc/08/15/36/213081536.db2.gz DDQUMFFNQRTKKL-BZUAXINKSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284130012 213081538 /nfs/dbraw/zinc/08/15/38/213081538.db2.gz DDQUMFFNQRTKKL-BZUAXINKSA-N 2 2 357.458 0.520 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000284055767 213065022 /nfs/dbraw/zinc/06/50/22/213065022.db2.gz QBQKNPSOZDDIJZ-HNNXBMFYSA-N 2 2 366.462 0.007 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000283974442 213046388 /nfs/dbraw/zinc/04/63/88/213046388.db2.gz NXXOAWMAFGZPRK-UHFFFAOYSA-N 2 2 365.503 0.477 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000283955247 213043093 /nfs/dbraw/zinc/04/30/93/213043093.db2.gz OESZKTLAEOEQHQ-LSDHHAIUSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000283955247 213043094 /nfs/dbraw/zinc/04/30/94/213043094.db2.gz OESZKTLAEOEQHQ-LSDHHAIUSA-N 2 2 363.462 0.100 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccccc1 ZINC000283961283 213042918 /nfs/dbraw/zinc/04/29/18/213042918.db2.gz JZXZOPCYSJAQPC-INIZCTEOSA-N 2 2 364.515 0.571 20 0 FCADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCCn3cc[nH+]c3)C2)CC1 ZINC000283931232 213038065 /nfs/dbraw/zinc/03/80/65/213038065.db2.gz MBJHMNRSTPRPGT-QGZVFWFLSA-N 2 2 361.490 0.970 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000283886082 213027234 /nfs/dbraw/zinc/02/72/34/213027234.db2.gz CNGAWCOZANSSNK-CVEARBPZSA-N 2 2 359.474 0.849 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000283886082 213027237 /nfs/dbraw/zinc/02/72/37/213027237.db2.gz CNGAWCOZANSSNK-CVEARBPZSA-N 2 2 359.474 0.849 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881423 213026390 /nfs/dbraw/zinc/02/63/90/213026390.db2.gz KBJKOVFTNWVOHJ-RDJZCZTQSA-N 2 2 355.442 0.636 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881423 213026393 /nfs/dbraw/zinc/02/63/93/213026393.db2.gz KBJKOVFTNWVOHJ-RDJZCZTQSA-N 2 2 355.442 0.636 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCCC1 ZINC000283775396 213005939 /nfs/dbraw/zinc/00/59/39/213005939.db2.gz BTCAWBLHVQOXJN-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000283762878 213004231 /nfs/dbraw/zinc/00/42/31/213004231.db2.gz BRQGHTLDMUBYBT-KRWDZBQOSA-N 2 2 369.469 0.775 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000411939059 237113692 /nfs/dbraw/zinc/11/36/92/237113692.db2.gz NHBKRIAFZOJEQH-GOSISDBHSA-N 2 2 358.486 0.741 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000411939059 237113696 /nfs/dbraw/zinc/11/36/96/237113696.db2.gz NHBKRIAFZOJEQH-GOSISDBHSA-N 2 2 358.486 0.741 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)CC1 ZINC000366595604 216001666 /nfs/dbraw/zinc/00/16/66/216001666.db2.gz HFNIFBYIOFYOFU-UHFFFAOYSA-N 2 2 354.458 0.790 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c(nnn3-c3ccccc3)C2)CC1 ZINC000366595604 216001668 /nfs/dbraw/zinc/00/16/68/216001668.db2.gz HFNIFBYIOFYOFU-UHFFFAOYSA-N 2 2 354.458 0.790 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000411986253 237133725 /nfs/dbraw/zinc/13/37/25/237133725.db2.gz FKBIHEKHESBFNA-MOPGFXCFSA-N 2 2 361.486 0.708 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000413235619 237297804 /nfs/dbraw/zinc/29/78/04/237297804.db2.gz JQBZMIJQCQHCBA-CVEARBPZSA-N 2 2 372.510 0.084 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000413365316 237320308 /nfs/dbraw/zinc/32/03/08/237320308.db2.gz CHLSOJKJAJIDFA-HUUCEWRRSA-N 2 2 354.495 0.600 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000413365316 237320316 /nfs/dbraw/zinc/32/03/16/237320316.db2.gz CHLSOJKJAJIDFA-HUUCEWRRSA-N 2 2 354.495 0.600 20 0 FCADLP CCC(=O)N1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000366939567 216052203 /nfs/dbraw/zinc/05/22/03/216052203.db2.gz ZOHJZMQKDWYRSH-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261760555 209478739 /nfs/dbraw/zinc/47/87/39/209478739.db2.gz VSKGIVNGHXLPSG-MRXNPFEDSA-N 2 2 352.504 0.416 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000368020752 216194040 /nfs/dbraw/zinc/19/40/40/216194040.db2.gz PUPCQFQERCFRBE-DOTOQJQBSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000368020752 216194044 /nfs/dbraw/zinc/19/40/44/216194044.db2.gz PUPCQFQERCFRBE-DOTOQJQBSA-N 2 2 362.478 0.773 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245904821 209377840 /nfs/dbraw/zinc/37/78/40/209377840.db2.gz SWRBNDVHUHVADF-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245904821 209377842 /nfs/dbraw/zinc/37/78/42/209377842.db2.gz SWRBNDVHUHVADF-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000237844509 209360070 /nfs/dbraw/zinc/36/00/70/209360070.db2.gz JJEQMMSCQPYUFF-WMZOPIPTSA-N 2 2 367.453 0.681 20 0 FCADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237885041 209359542 /nfs/dbraw/zinc/35/95/42/209359542.db2.gz GWMLHQCUMVLSHF-ALOPSCKCSA-N 2 2 358.490 0.636 20 0 FCADLP CC(C)(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000236686818 209342429 /nfs/dbraw/zinc/34/24/29/209342429.db2.gz YEBNDPTWIXUMDU-MRXNPFEDSA-N 2 2 367.515 0.702 20 0 FCADLP CC(C)(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000236686818 209342432 /nfs/dbraw/zinc/34/24/32/209342432.db2.gz YEBNDPTWIXUMDU-MRXNPFEDSA-N 2 2 367.515 0.702 20 0 FCADLP CN(C(=O)NCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368360065 216237800 /nfs/dbraw/zinc/23/78/00/216237800.db2.gz GNHYCUPYCQMQCC-GOSISDBHSA-N 3 2 367.538 0.519 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3C(=O)NCC[C@H]3C)CC2)c1 ZINC000193565288 209315376 /nfs/dbraw/zinc/31/53/76/209315376.db2.gz TZGLHDWZGCWEJK-APWZRJJASA-N 2 2 358.486 0.753 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391869 216241540 /nfs/dbraw/zinc/24/15/40/216241540.db2.gz YKQRYJJVZKHHDC-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391869 216241544 /nfs/dbraw/zinc/24/15/44/216241544.db2.gz YKQRYJJVZKHHDC-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000192760591 209304226 /nfs/dbraw/zinc/30/42/26/209304226.db2.gz CLBBTGJJOZEKHM-IBGZPJMESA-N 2 2 365.566 0.641 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000192760591 209304227 /nfs/dbraw/zinc/30/42/27/209304227.db2.gz CLBBTGJJOZEKHM-IBGZPJMESA-N 3 2 365.566 0.641 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCOC[C@@H]3C)CC2)C1 ZINC000192712926 209304124 /nfs/dbraw/zinc/30/41/24/209304124.db2.gz OOHXKKHQVQMDGJ-RBUKOAKNSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000192712926 209304127 /nfs/dbraw/zinc/30/41/27/209304127.db2.gz OOHXKKHQVQMDGJ-RBUKOAKNSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@H+]3CCOC[C@@H]3C)CC2)C1 ZINC000192712926 209304129 /nfs/dbraw/zinc/30/41/29/209304129.db2.gz OOHXKKHQVQMDGJ-RBUKOAKNSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCN3CCOC[C@@H]3C)CC2)C1 ZINC000192712926 209304118 /nfs/dbraw/zinc/30/41/18/209304118.db2.gz OOHXKKHQVQMDGJ-RBUKOAKNSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCN3CCOC[C@@H]3C)CC2)C1 ZINC000192712926 209304122 /nfs/dbraw/zinc/30/41/22/209304122.db2.gz OOHXKKHQVQMDGJ-RBUKOAKNSA-N 2 2 354.539 0.434 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCc1ccccc1F ZINC000368679633 216280193 /nfs/dbraw/zinc/28/01/93/216280193.db2.gz DPDJNLQIBTYCKI-UHFFFAOYSA-N 2 2 365.449 0.601 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699931 216284273 /nfs/dbraw/zinc/28/42/73/216284273.db2.gz KZQPBXPADLBECA-AEFFLSMTSA-N 2 2 352.523 0.487 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699931 216284276 /nfs/dbraw/zinc/28/42/76/216284276.db2.gz KZQPBXPADLBECA-AEFFLSMTSA-N 2 2 352.523 0.487 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(CO)CCOCC1 ZINC000191037378 209281074 /nfs/dbraw/zinc/28/10/74/209281074.db2.gz KSBYJVAWBCXKHW-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(CO)CCOCC1 ZINC000191037378 209281078 /nfs/dbraw/zinc/28/10/78/209281078.db2.gz KSBYJVAWBCXKHW-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000190438975 209273803 /nfs/dbraw/zinc/27/38/03/209273803.db2.gz RFTIIOXAHZUVGP-CQSZACIVSA-N 2 2 353.511 0.711 20 0 FCADLP Cc1csc(=O)n1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369279358 216376703 /nfs/dbraw/zinc/37/67/03/216376703.db2.gz XCEITYCZJNUNQN-CQSZACIVSA-N 2 2 352.504 0.893 20 0 FCADLP Cc1csc(=O)n1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369279358 216376706 /nfs/dbraw/zinc/37/67/06/216376706.db2.gz XCEITYCZJNUNQN-CQSZACIVSA-N 2 2 352.504 0.893 20 0 FCADLP CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375461 216392118 /nfs/dbraw/zinc/39/21/18/216392118.db2.gz XNCNNKKMTDDCRR-NVXWUHKLSA-N 2 2 356.511 0.488 20 0 FCADLP CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375461 216392121 /nfs/dbraw/zinc/39/21/21/216392121.db2.gz XNCNNKKMTDDCRR-NVXWUHKLSA-N 2 2 356.511 0.488 20 0 FCADLP CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374326 216392314 /nfs/dbraw/zinc/39/23/14/216392314.db2.gz RLGHYNDQAPEDBT-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374326 216392316 /nfs/dbraw/zinc/39/23/16/216392316.db2.gz RLGHYNDQAPEDBT-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392671 216394497 /nfs/dbraw/zinc/39/44/97/216394497.db2.gz IVNZAUIUMWOMFW-CABCVRRESA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392671 216394500 /nfs/dbraw/zinc/39/45/00/216394500.db2.gz IVNZAUIUMWOMFW-CABCVRRESA-N 2 2 351.495 0.465 20 0 FCADLP Cc1cnc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000188957470 209243013 /nfs/dbraw/zinc/24/30/13/209243013.db2.gz XHRAJUDHBVKYBR-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP Cc1cnc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000188957470 209243016 /nfs/dbraw/zinc/24/30/16/209243016.db2.gz XHRAJUDHBVKYBR-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c[nH+]2)CCO1 ZINC000188715296 209236312 /nfs/dbraw/zinc/23/63/12/209236312.db2.gz SVWBIQPGWFNJSH-GFCCVEGCSA-N 2 2 356.430 0.606 20 0 FCADLP C[C@@H]1c2nncn2CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276858472 212300036 /nfs/dbraw/zinc/30/00/36/212300036.db2.gz UFMIFLYPOSGKPG-OAHLLOKOSA-N 2 2 355.446 0.789 20 0 FCADLP C[C@@H]1c2nncn2CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276858472 212300040 /nfs/dbraw/zinc/30/00/40/212300040.db2.gz UFMIFLYPOSGKPG-OAHLLOKOSA-N 2 2 355.446 0.789 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CCN1C ZINC000276520073 212247648 /nfs/dbraw/zinc/24/76/48/212247648.db2.gz CXWSXMCQUSMHJI-MRXNPFEDSA-N 2 2 372.473 0.884 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000187984603 209221087 /nfs/dbraw/zinc/22/10/87/209221087.db2.gz RAHJHHSWOWRANL-DLBZAZTESA-N 2 2 366.893 0.955 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000187818899 209219423 /nfs/dbraw/zinc/21/94/23/209219423.db2.gz HJGBQVRHVPGGMP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000187818899 209219427 /nfs/dbraw/zinc/21/94/27/209219427.db2.gz HJGBQVRHVPGGMP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000187818899 209219428 /nfs/dbraw/zinc/21/94/28/209219428.db2.gz HJGBQVRHVPGGMP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000187818899 209219432 /nfs/dbraw/zinc/21/94/32/209219432.db2.gz HJGBQVRHVPGGMP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000187129149 209207357 /nfs/dbraw/zinc/20/73/57/209207357.db2.gz KEXFKHIPLGBSRB-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000187129149 209207361 /nfs/dbraw/zinc/20/73/61/209207361.db2.gz KEXFKHIPLGBSRB-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000186823695 209197418 /nfs/dbraw/zinc/19/74/18/209197418.db2.gz AXUVHVCWMRSJAQ-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000186823695 209197421 /nfs/dbraw/zinc/19/74/21/209197421.db2.gz AXUVHVCWMRSJAQ-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707901 212076974 /nfs/dbraw/zinc/07/69/74/212076974.db2.gz NYOATOBVQAUOAV-KGLIPLIRSA-N 2 2 364.519 0.529 20 0 FCADLP C[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707901 212076975 /nfs/dbraw/zinc/07/69/75/212076975.db2.gz NYOATOBVQAUOAV-KGLIPLIRSA-N 2 2 364.519 0.529 20 0 FCADLP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275655699 212068144 /nfs/dbraw/zinc/06/81/44/212068144.db2.gz UTWDDIXXZLNVAV-MSOLQXFVSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672962 209179438 /nfs/dbraw/zinc/17/94/38/209179438.db2.gz RNYBRBQQPFDHPJ-STQMWFEESA-N 2 2 374.489 0.703 20 0 FCADLP C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672962 209179439 /nfs/dbraw/zinc/17/94/39/209179439.db2.gz RNYBRBQQPFDHPJ-STQMWFEESA-N 2 2 374.489 0.703 20 0 FCADLP O=C(C[N@@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000275494858 212036467 /nfs/dbraw/zinc/03/64/67/212036467.db2.gz GGSBXPAQGKMENY-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP O=C(C[N@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000275494858 212036471 /nfs/dbraw/zinc/03/64/71/212036471.db2.gz GGSBXPAQGKMENY-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP COc1cccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000373312116 217006434 /nfs/dbraw/zinc/00/64/34/217006434.db2.gz XUBUEFNABAAJET-INIZCTEOSA-N 2 2 374.485 0.710 20 0 FCADLP COc1cccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000373312116 217006436 /nfs/dbraw/zinc/00/64/36/217006436.db2.gz XUBUEFNABAAJET-INIZCTEOSA-N 2 2 374.485 0.710 20 0 FCADLP C[C@H]1C[C@@H](C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752409 245318334 /nfs/dbraw/zinc/31/83/34/245318334.db2.gz BVRJUZGSPVMWQV-RYUDHWBXSA-N 2 2 372.457 0.825 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000414813068 245327442 /nfs/dbraw/zinc/32/74/42/245327442.db2.gz LSBKKDRIKJNQTC-LSDHHAIUSA-N 2 2 362.474 0.960 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC(F)(F)C[NH3+])c1 ZINC000415050010 245342306 /nfs/dbraw/zinc/34/23/06/245342306.db2.gz AWPJBPVBWUTKGH-ZDUSSCGKSA-N 2 2 355.389 0.852 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC(F)(F)C[NH3+])c1 ZINC000415050010 245342312 /nfs/dbraw/zinc/34/23/12/245342312.db2.gz AWPJBPVBWUTKGH-ZDUSSCGKSA-N 2 2 355.389 0.852 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185254192 209174489 /nfs/dbraw/zinc/17/44/89/209174489.db2.gz GGCZRTYPKZFFEU-BRWVUGGUSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185254192 209174492 /nfs/dbraw/zinc/17/44/92/209174492.db2.gz GGCZRTYPKZFFEU-BRWVUGGUSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185254192 209174493 /nfs/dbraw/zinc/17/44/93/209174493.db2.gz GGCZRTYPKZFFEU-BRWVUGGUSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185254192 209174495 /nfs/dbraw/zinc/17/44/95/209174495.db2.gz GGCZRTYPKZFFEU-BRWVUGGUSA-N 2 2 356.511 0.440 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415336963 245390148 /nfs/dbraw/zinc/39/01/48/245390148.db2.gz WUEUZFYHRAEZFT-UHFFFAOYSA-N 2 2 369.425 0.834 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373707914 217048455 /nfs/dbraw/zinc/04/84/55/217048455.db2.gz MLLVRUCIDPXHIF-HUUCEWRRSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373707914 217048457 /nfs/dbraw/zinc/04/84/57/217048457.db2.gz MLLVRUCIDPXHIF-HUUCEWRRSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000373862539 217068131 /nfs/dbraw/zinc/06/81/31/217068131.db2.gz JKMASJNNTWLQTO-VQIMIIECSA-N 2 2 350.507 0.779 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000373862539 217068134 /nfs/dbraw/zinc/06/81/34/217068134.db2.gz JKMASJNNTWLQTO-VQIMIIECSA-N 2 2 350.507 0.779 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373895320 217072063 /nfs/dbraw/zinc/07/20/63/217072063.db2.gz WPCHHQNJDHVGSA-FUHWJXTLSA-N 2 2 352.523 0.772 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373895320 217072064 /nfs/dbraw/zinc/07/20/64/217072064.db2.gz WPCHHQNJDHVGSA-FUHWJXTLSA-N 2 2 352.523 0.772 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000374157810 217104522 /nfs/dbraw/zinc/10/45/22/217104522.db2.gz BIERDYUWWVSLRU-KRWDZBQOSA-N 2 2 366.506 0.111 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000374082320 217094013 /nfs/dbraw/zinc/09/40/13/217094013.db2.gz XGDVSRDXIAFZCX-DJIMGWMZSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000374082320 217094014 /nfs/dbraw/zinc/09/40/14/217094014.db2.gz XGDVSRDXIAFZCX-DJIMGWMZSA-N 2 2 363.506 0.608 20 0 FCADLP CC1=C(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)n2ncnc2N1C ZINC000374232268 217110365 /nfs/dbraw/zinc/11/03/65/217110365.db2.gz RWNAFKSWFAXMPF-GJZGRUSLSA-N 2 2 373.505 0.848 20 0 FCADLP CC1=C(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)n2ncnc2N1C ZINC000374232268 217110369 /nfs/dbraw/zinc/11/03/69/217110369.db2.gz RWNAFKSWFAXMPF-GJZGRUSLSA-N 2 2 373.505 0.848 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360394 217121733 /nfs/dbraw/zinc/12/17/33/217121733.db2.gz PEXJFENANZNCAM-PKOBYXMFSA-N 2 2 362.474 0.556 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360394 217121736 /nfs/dbraw/zinc/12/17/36/217121736.db2.gz PEXJFENANZNCAM-PKOBYXMFSA-N 2 2 362.474 0.556 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183604562 209150839 /nfs/dbraw/zinc/15/08/39/209150839.db2.gz YSZDTJPSXZGOGK-HNNXBMFYSA-N 2 2 359.474 0.916 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000375227086 217235355 /nfs/dbraw/zinc/23/53/55/217235355.db2.gz DRGIUKRSVOZRIK-GDBMZVCRSA-N 2 2 359.474 0.481 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000375328399 217249867 /nfs/dbraw/zinc/24/98/67/217249867.db2.gz NQUXULZMXFIRME-SFHVURJKSA-N 2 2 370.457 0.996 20 0 FCADLP O=C(C[N@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000375328399 217249869 /nfs/dbraw/zinc/24/98/69/217249869.db2.gz NQUXULZMXFIRME-SFHVURJKSA-N 2 2 370.457 0.996 20 0 FCADLP C[C@H]1OCC[C@@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CCO2 ZINC000375675821 217298097 /nfs/dbraw/zinc/29/80/97/217298097.db2.gz UXYJKSWEEJWIPF-CRAIPNDOSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000375886797 217330294 /nfs/dbraw/zinc/33/02/94/217330294.db2.gz AVMRERFJASMZFZ-OAHLLOKOSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000375886797 217330296 /nfs/dbraw/zinc/33/02/96/217330296.db2.gz AVMRERFJASMZFZ-OAHLLOKOSA-N 2 2 353.511 0.711 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000376193793 217366833 /nfs/dbraw/zinc/36/68/33/217366833.db2.gz GAQNAQUHQUUJMF-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376364789 217389952 /nfs/dbraw/zinc/38/99/52/217389952.db2.gz LAPPYBKRYVHPCY-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376364789 217389955 /nfs/dbraw/zinc/38/99/55/217389955.db2.gz LAPPYBKRYVHPCY-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCOCC1 ZINC000418845591 245861505 /nfs/dbraw/zinc/86/15/05/245861505.db2.gz VUXHHLOQRVXNTG-UHFFFAOYSA-N 2 2 368.522 0.642 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419125369 246000131 /nfs/dbraw/zinc/00/01/31/246000131.db2.gz ZQBOAZJMIJNUQT-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419153637 246020810 /nfs/dbraw/zinc/02/08/10/246020810.db2.gz PBDMDIKDBBXQTH-MRXNPFEDSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419160558 246025445 /nfs/dbraw/zinc/02/54/45/246025445.db2.gz ZKDKDJOICFZVMB-WBVHZDCISA-N 2 2 369.469 0.938 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@@H]1C[NH3+] ZINC000419199849 246049392 /nfs/dbraw/zinc/04/93/92/246049392.db2.gz DCHBVGGTWCXSPE-GOEBONIOSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419231791 246072640 /nfs/dbraw/zinc/07/26/40/246072640.db2.gz KENNDQDOWAZHGU-HZSPNIEDSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419231791 246072643 /nfs/dbraw/zinc/07/26/43/246072643.db2.gz KENNDQDOWAZHGU-HZSPNIEDSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[NH2+]1 ZINC000419264246 246078430 /nfs/dbraw/zinc/07/84/30/246078430.db2.gz AYESNTPDCXKLIJ-CVEARBPZSA-N 2 2 374.485 0.344 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CC1 ZINC000419300328 246090619 /nfs/dbraw/zinc/09/06/19/246090619.db2.gz BTMQKZSCYCBPLS-INIZCTEOSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419429346 246159264 /nfs/dbraw/zinc/15/92/64/246159264.db2.gz UMPVIVHTNZLAKX-MRXNPFEDSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419450714 246169858 /nfs/dbraw/zinc/16/98/58/246169858.db2.gz LZEGNJDCTMXYFT-IRXDYDNUSA-N 2 2 373.501 0.134 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419418211 246151332 /nfs/dbraw/zinc/15/13/32/246151332.db2.gz QPLZPGOCSZGOFQ-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419418211 246151339 /nfs/dbraw/zinc/15/13/39/246151339.db2.gz QPLZPGOCSZGOFQ-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000419810666 246303022 /nfs/dbraw/zinc/30/30/22/246303022.db2.gz XRHJOSJPOHBMID-HNNXBMFYSA-N 2 2 352.479 0.087 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000419728063 246274367 /nfs/dbraw/zinc/27/43/67/246274367.db2.gz MBOIUMWLSRBPOV-MRXNPFEDSA-N 2 2 359.474 0.625 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419835674 246312694 /nfs/dbraw/zinc/31/26/94/246312694.db2.gz ANSVGSLQFVNCPH-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCC[NH2+]C)CC2)cc1 ZINC000419845043 246319085 /nfs/dbraw/zinc/31/90/85/246319085.db2.gz DEDQEDGXXGOWAR-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419922151 246371486 /nfs/dbraw/zinc/37/14/86/246371486.db2.gz YXOUEUIHSAYKFK-QTWIXLPOSA-N 2 2 370.497 0.960 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000419877225 246343187 /nfs/dbraw/zinc/34/31/87/246343187.db2.gz YAWARDQVRMMDTP-QGZVFWFLSA-N 2 2 360.458 0.063 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419877294 246344679 /nfs/dbraw/zinc/34/46/79/246344679.db2.gz PSCHACFSIFOJQV-UONOGXRCSA-N 2 2 350.488 0.778 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419886815 246351940 /nfs/dbraw/zinc/35/19/40/246351940.db2.gz IGUTUTJJBIZWCH-MTIYJEKLSA-N 2 2 356.470 0.712 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419889336 246352634 /nfs/dbraw/zinc/35/26/34/246352634.db2.gz SCBDSAVMKJUHFN-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419900875 246359600 /nfs/dbraw/zinc/35/96/00/246359600.db2.gz RXKWLQFFURFUII-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419907289 246361512 /nfs/dbraw/zinc/36/15/12/246361512.db2.gz BQWJDFDKDJHTPG-INIZCTEOSA-N 2 2 374.485 0.455 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000419958489 246389294 /nfs/dbraw/zinc/38/92/94/246389294.db2.gz CBBXADRTVBLTLO-HNNXBMFYSA-N 2 2 362.478 0.078 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423374881 247015441 /nfs/dbraw/zinc/01/54/41/247015441.db2.gz UAXOGSKADYDNGU-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000423383476 247017415 /nfs/dbraw/zinc/01/74/15/247017415.db2.gz JKZUPUIWVHVOPF-JENIJYKNSA-N 2 2 361.486 0.959 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3(C)C[NH2+]C3)CC2)cc1 ZINC000423392125 247019071 /nfs/dbraw/zinc/01/90/71/247019071.db2.gz OEFNBJJATLFXSW-UHFFFAOYSA-N 2 2 360.458 0.179 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423397583 247020950 /nfs/dbraw/zinc/02/09/50/247020950.db2.gz TYBGCSCHISCGPZ-GVDBMIGSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423397583 247020953 /nfs/dbraw/zinc/02/09/53/247020953.db2.gz TYBGCSCHISCGPZ-GVDBMIGSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@H]1C[NH3+] ZINC000423399470 247021065 /nfs/dbraw/zinc/02/10/65/247021065.db2.gz WFNQKYUZAWEVAN-BZUAXINKSA-N 2 2 361.490 0.645 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000423255338 246988022 /nfs/dbraw/zinc/98/80/22/246988022.db2.gz BSCIDWCKFGRXMU-HOTGVXAUSA-N 2 2 374.485 0.708 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000423310993 247001829 /nfs/dbraw/zinc/00/18/29/247001829.db2.gz BCCPACOWZHHHBS-RDJZCZTQSA-N 2 2 359.474 0.497 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C[C@H]1[NH3+] ZINC000423312770 247003282 /nfs/dbraw/zinc/00/32/82/247003282.db2.gz VQFITKFIDYONFY-GDBMZVCRSA-N 2 2 355.442 0.695 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423314128 247003294 /nfs/dbraw/zinc/00/32/94/247003294.db2.gz GPCFBJXDBYXNBI-OAHLLOKOSA-N 2 2 361.490 0.730 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423338358 247006875 /nfs/dbraw/zinc/00/68/75/247006875.db2.gz YYMYDEZKUQLAJY-SJORKVTESA-N 2 2 373.501 0.874 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000423337207 247007212 /nfs/dbraw/zinc/00/72/12/247007212.db2.gz TYLMQTUZSKPFIN-HOTGVXAUSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423546703 247047883 /nfs/dbraw/zinc/04/78/83/247047883.db2.gz KPOHZUGWJJSVGE-DZGCQCFKSA-N 2 2 353.488 0.750 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423600074 247070462 /nfs/dbraw/zinc/07/04/62/247070462.db2.gz XZEKBMOYSPVYAM-HZPDHXFCSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423490090 247037357 /nfs/dbraw/zinc/03/73/57/247037357.db2.gz HMINLUZTLUHNHW-WBVHZDCISA-N 2 2 366.506 0.014 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1CCOC ZINC000423532117 247043964 /nfs/dbraw/zinc/04/39/64/247043964.db2.gz USEHJNVLJIGMOD-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@H+]1CCOC ZINC000423532117 247043969 /nfs/dbraw/zinc/04/39/69/247043969.db2.gz USEHJNVLJIGMOD-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000423687019 247112257 /nfs/dbraw/zinc/11/22/57/247112257.db2.gz VCMOFBJWPPTPBR-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423619493 247079182 /nfs/dbraw/zinc/07/91/82/247079182.db2.gz YPWUBJXGBCSHKH-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423619493 247079184 /nfs/dbraw/zinc/07/91/84/247079184.db2.gz YPWUBJXGBCSHKH-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423657721 247097103 /nfs/dbraw/zinc/09/71/03/247097103.db2.gz ZOYCJSQQWGFWPN-UKRRQHHQSA-N 2 2 350.488 0.903 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000423751869 247139500 /nfs/dbraw/zinc/13/95/00/247139500.db2.gz BTZBBNGZZRQMRS-YJBOKZPZSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000423751869 247139506 /nfs/dbraw/zinc/13/95/06/247139506.db2.gz BTZBBNGZZRQMRS-YJBOKZPZSA-N 2 2 374.489 0.526 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@H]2C[NH2+]CCO2)on1 ZINC000423927633 247153325 /nfs/dbraw/zinc/15/33/25/247153325.db2.gz QVRNUKQFFDOJRT-KKUMJFAQSA-N 2 2 354.426 0.732 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@H]2C[NH2+]CCO2)on1 ZINC000423927633 247153331 /nfs/dbraw/zinc/15/33/31/247153331.db2.gz QVRNUKQFFDOJRT-KKUMJFAQSA-N 2 2 354.426 0.732 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2C[NH2+]CCO2)on1 ZINC000423927634 247153558 /nfs/dbraw/zinc/15/35/58/247153558.db2.gz QVRNUKQFFDOJRT-SOUVJXGZSA-N 2 2 354.426 0.732 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[C@@H]2C[NH2+]CCO2)on1 ZINC000423927634 247153561 /nfs/dbraw/zinc/15/35/61/247153561.db2.gz QVRNUKQFFDOJRT-SOUVJXGZSA-N 2 2 354.426 0.732 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000423708498 247118064 /nfs/dbraw/zinc/11/80/64/247118064.db2.gz GYYFRPMXZPWGJN-UHFFFAOYSA-N 2 2 372.473 0.046 20 0 FCADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423734041 247132232 /nfs/dbraw/zinc/13/22/32/247132232.db2.gz ANKBLTDRUKLICC-RHSMWYFYSA-N 2 2 362.449 0.899 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000424245257 247187265 /nfs/dbraw/zinc/18/72/65/247187265.db2.gz RRMURUOZGFLIMT-INIZCTEOSA-N 2 2 360.458 0.573 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)cn2c1 ZINC000424502652 247242697 /nfs/dbraw/zinc/24/26/97/247242697.db2.gz GZEVYRFQHVAEML-LBPRGKRZSA-N 2 2 365.384 0.620 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425407974 247337327 /nfs/dbraw/zinc/33/73/27/247337327.db2.gz WJAWJHIQAGQHBL-UHFFFAOYSA-N 2 2 358.486 0.883 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425407974 247337330 /nfs/dbraw/zinc/33/73/30/247337330.db2.gz WJAWJHIQAGQHBL-UHFFFAOYSA-N 2 2 358.486 0.883 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)n1C ZINC000425353251 247325291 /nfs/dbraw/zinc/32/52/91/247325291.db2.gz NGJNJZJCMHYLHR-GFCCVEGCSA-N 2 2 358.489 0.472 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000425651811 247359219 /nfs/dbraw/zinc/35/92/19/247359219.db2.gz MZNCEGHWFUQMAS-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP Cc1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc1S(=O)(=O)N(C)C ZINC000430549086 247707965 /nfs/dbraw/zinc/70/79/65/247707965.db2.gz CZVFFZASYZNORQ-QGZVFWFLSA-N 2 2 368.503 0.901 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCNC(=O)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000435566136 248000255 /nfs/dbraw/zinc/00/02/55/248000255.db2.gz VQUYCRVFESRTBL-GJZGRUSLSA-N 2 2 359.474 0.900 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000435578447 248001381 /nfs/dbraw/zinc/00/13/81/248001381.db2.gz HXBRRMUQWBZEEC-IXDOHACOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000435578447 248001384 /nfs/dbraw/zinc/00/13/84/248001384.db2.gz HXBRRMUQWBZEEC-IXDOHACOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435628271 248004873 /nfs/dbraw/zinc/00/48/73/248004873.db2.gz ULCAYHSTTTWKLW-ZWKOTPCHSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435628271 248004875 /nfs/dbraw/zinc/00/48/75/248004875.db2.gz ULCAYHSTTTWKLW-ZWKOTPCHSA-N 2 2 370.538 0.976 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435681670 248009604 /nfs/dbraw/zinc/00/96/04/248009604.db2.gz JFHDABFOKLEHDO-KGLIPLIRSA-N 2 2 362.478 0.598 20 0 FCADLP C[C@H]1[NH2+]CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000436047688 248029002 /nfs/dbraw/zinc/02/90/02/248029002.db2.gz DFOSUHSQQYHAOR-SJORKVTESA-N 2 2 360.502 0.817 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000436059051 248031132 /nfs/dbraw/zinc/03/11/32/248031132.db2.gz JVXVQRVOWFDDIU-DLBZAZTESA-N 2 2 374.485 0.426 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000436059051 248031135 /nfs/dbraw/zinc/03/11/35/248031135.db2.gz JVXVQRVOWFDDIU-DLBZAZTESA-N 2 2 374.485 0.426 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441184249 248242159 /nfs/dbraw/zinc/24/21/59/248242159.db2.gz UXWQIYZGMRFEAH-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441184249 248242163 /nfs/dbraw/zinc/24/21/63/248242163.db2.gz UXWQIYZGMRFEAH-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244975 248245421 /nfs/dbraw/zinc/24/54/21/248245421.db2.gz LGQLWVSEYIMGRV-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244975 248245423 /nfs/dbraw/zinc/24/54/23/248245423.db2.gz LGQLWVSEYIMGRV-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789303 248296384 /nfs/dbraw/zinc/29/63/84/248296384.db2.gz JXSDTOSKYPCFRA-ZIAGYGMSSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789303 248296386 /nfs/dbraw/zinc/29/63/86/248296386.db2.gz JXSDTOSKYPCFRA-ZIAGYGMSSA-N 2 2 368.503 0.853 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)([NH+]2CCOCC2)C1 ZINC000444141574 248349003 /nfs/dbraw/zinc/34/90/03/248349003.db2.gz OJFKXHGCAFKTBH-LSJNQWAISA-N 2 2 366.506 0.792 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)([NH+]2CCOCC2)C1 ZINC000444141574 248349004 /nfs/dbraw/zinc/34/90/04/248349004.db2.gz OJFKXHGCAFKTBH-LSJNQWAISA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)ccc21 ZINC000453702317 249356798 /nfs/dbraw/zinc/35/67/98/249356798.db2.gz UEHJUFPVJMWIQW-QGZVFWFLSA-N 2 2 360.458 0.311 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453711030 249359752 /nfs/dbraw/zinc/35/97/52/249359752.db2.gz PYJATRDKYPAKPA-GOSISDBHSA-N 2 2 374.485 0.965 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000453721972 249360917 /nfs/dbraw/zinc/36/09/17/249360917.db2.gz SKVCDYZDMLUQBX-RDTXWAMCSA-N 2 2 374.485 0.699 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)C[C@@H]21 ZINC000453918318 249385287 /nfs/dbraw/zinc/38/52/87/249385287.db2.gz DBEXMRDSGCDUMY-AEFFLSMTSA-N 2 2 372.469 0.620 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)C[C@@H]21 ZINC000453918318 249385290 /nfs/dbraw/zinc/38/52/90/249385290.db2.gz DBEXMRDSGCDUMY-AEFFLSMTSA-N 2 2 372.469 0.620 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000271285280 211372015 /nfs/dbraw/zinc/37/20/15/211372015.db2.gz OUFXNAJXMCBHCC-FQEVSTJZSA-N 2 2 374.529 0.938 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000271285280 211372011 /nfs/dbraw/zinc/37/20/11/211372011.db2.gz OUFXNAJXMCBHCC-FQEVSTJZSA-N 2 2 374.529 0.938 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000271278188 211369603 /nfs/dbraw/zinc/36/96/03/211369603.db2.gz NKZBIVCSBFTPBO-FQEVSTJZSA-N 2 2 372.513 0.737 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000271278188 211369595 /nfs/dbraw/zinc/36/95/95/211369595.db2.gz NKZBIVCSBFTPBO-FQEVSTJZSA-N 2 2 372.513 0.737 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H](N2CCCC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000270944220 211304621 /nfs/dbraw/zinc/30/46/21/211304621.db2.gz RXOMHEARKLIKBM-KRWDZBQOSA-N 2 2 371.485 0.817 20 0 FCADLP O=C(CC[N@H+]1CC[C@H](N2CCCC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000270944220 211304626 /nfs/dbraw/zinc/30/46/26/211304626.db2.gz RXOMHEARKLIKBM-KRWDZBQOSA-N 2 2 371.485 0.817 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000469786563 250003934 /nfs/dbraw/zinc/00/39/34/250003934.db2.gz OMTXEXCULPOPPS-OAGGEKHMSA-N 2 2 356.511 0.306 20 0 FCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC000469786563 250003939 /nfs/dbraw/zinc/00/39/39/250003939.db2.gz OMTXEXCULPOPPS-OAGGEKHMSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000469763916 250004277 /nfs/dbraw/zinc/00/42/77/250004277.db2.gz MLVPYDZALLBTAY-QLFBSQMISA-N 2 2 352.483 0.861 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000469763916 250004281 /nfs/dbraw/zinc/00/42/81/250004281.db2.gz MLVPYDZALLBTAY-QLFBSQMISA-N 2 2 352.483 0.861 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000471647533 250112072 /nfs/dbraw/zinc/11/20/72/250112072.db2.gz HNXPZIHZPFTKOJ-SFHVURJKSA-N 2 2 364.490 0.937 20 0 FCADLP COc1ncnc(N(C)C)c1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000269937482 211121744 /nfs/dbraw/zinc/12/17/44/211121744.db2.gz LRBXCEKLBSTYSV-UHFFFAOYSA-N 2 2 365.482 0.699 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000472784952 250181829 /nfs/dbraw/zinc/18/18/29/250181829.db2.gz HCIKQUBNVPXHEL-AWEZNQCLSA-N 2 2 351.499 0.311 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000472784952 250181833 /nfs/dbraw/zinc/18/18/33/250181833.db2.gz HCIKQUBNVPXHEL-AWEZNQCLSA-N 2 2 351.499 0.311 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651771 250244389 /nfs/dbraw/zinc/24/43/89/250244389.db2.gz XSUZUUIBXWZCQV-HUUCEWRRSA-N 2 2 361.446 0.541 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651771 250244393 /nfs/dbraw/zinc/24/43/93/250244393.db2.gz XSUZUUIBXWZCQV-HUUCEWRRSA-N 2 2 361.446 0.541 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000473955809 250259101 /nfs/dbraw/zinc/25/91/01/250259101.db2.gz JKDVIGBHIZDSKJ-JKSUJKDBSA-N 2 2 356.511 0.630 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000480937548 250298542 /nfs/dbraw/zinc/29/85/42/250298542.db2.gz OJOGUPXTJKFAHM-BRWVUGGUSA-N 2 2 368.522 0.260 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNc1nc(NC[C@](C)(O)C[NH+](C)C)[nH+]cc1Cl ZINC000269762355 211069847 /nfs/dbraw/zinc/06/98/47/211069847.db2.gz FHOYVEWDDBWNLY-CVEARBPZSA-N 3 2 374.917 0.579 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853239 250368507 /nfs/dbraw/zinc/36/85/07/250368507.db2.gz NSWJGSFVGBOOGI-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853239 250368512 /nfs/dbraw/zinc/36/85/12/250368512.db2.gz NSWJGSFVGBOOGI-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000481853239 250368518 /nfs/dbraw/zinc/36/85/18/250368518.db2.gz NSWJGSFVGBOOGI-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000481853239 250368522 /nfs/dbraw/zinc/36/85/22/250368522.db2.gz NSWJGSFVGBOOGI-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853883 250369038 /nfs/dbraw/zinc/36/90/38/250369038.db2.gz DRWIVJHFBMKPRO-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853883 250369042 /nfs/dbraw/zinc/36/90/42/250369042.db2.gz DRWIVJHFBMKPRO-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000481878642 250369709 /nfs/dbraw/zinc/36/97/09/250369709.db2.gz HFSNUBZWXNCELL-TWMKSMIVSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000481878642 250369712 /nfs/dbraw/zinc/36/97/12/250369712.db2.gz HFSNUBZWXNCELL-TWMKSMIVSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481879715 250370397 /nfs/dbraw/zinc/37/03/97/250370397.db2.gz RGEUHURDGOQTJG-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481879715 250370402 /nfs/dbraw/zinc/37/04/02/250370402.db2.gz RGEUHURDGOQTJG-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413507538 533009087 /nfs/dbraw/zinc/00/90/87/533009087.db2.gz WOPFXQVYXIPQTB-QLFBSQMISA-N 2 2 363.462 0.225 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413507538 533009089 /nfs/dbraw/zinc/00/90/89/533009089.db2.gz WOPFXQVYXIPQTB-QLFBSQMISA-N 2 2 363.462 0.225 20 0 FCADLP COCC[NH2+]CC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262083715 533018596 /nfs/dbraw/zinc/01/85/96/533018596.db2.gz FPLUINLBSHNWIF-QGZVFWFLSA-N 2 2 362.430 0.879 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066186276 208015705 /nfs/dbraw/zinc/01/57/05/208015705.db2.gz AMKMYQHLCRDZNT-KRWDZBQOSA-N 2 2 373.505 0.478 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000068606972 208027608 /nfs/dbraw/zinc/02/76/08/208027608.db2.gz WGGVBNRJDRRWMU-UHFFFAOYSA-N 2 2 356.430 0.550 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000076978135 208070762 /nfs/dbraw/zinc/07/07/62/208070762.db2.gz KNKJJRPIYLQNLJ-ULQDDVLXSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@@H+]1C1CC1 ZINC000090081332 208127528 /nfs/dbraw/zinc/12/75/28/208127528.db2.gz UGKNIFNTGNNWTB-DZGCQCFKSA-N 2 2 367.519 0.788 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@H+]1C1CC1 ZINC000090081332 208127533 /nfs/dbraw/zinc/12/75/33/208127533.db2.gz UGKNIFNTGNNWTB-DZGCQCFKSA-N 2 2 367.519 0.788 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004420 208128301 /nfs/dbraw/zinc/12/83/01/208128301.db2.gz SDEGRKRDJMQMSA-OAHLLOKOSA-N 2 2 358.508 0.631 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004420 208128305 /nfs/dbraw/zinc/12/83/05/208128305.db2.gz SDEGRKRDJMQMSA-OAHLLOKOSA-N 2 2 358.508 0.631 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000104719623 208183860 /nfs/dbraw/zinc/18/38/60/208183860.db2.gz HIWBFXACAMKKSM-INIZCTEOSA-N 2 2 361.490 0.765 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000107369198 208241989 /nfs/dbraw/zinc/24/19/89/208241989.db2.gz ZAVMIFGNOBRGSS-GFCCVEGCSA-N 2 2 365.400 0.086 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000107369198 208241994 /nfs/dbraw/zinc/24/19/94/208241994.db2.gz ZAVMIFGNOBRGSS-GFCCVEGCSA-N 2 2 365.400 0.086 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)CC1 ZINC000106479112 208227335 /nfs/dbraw/zinc/22/73/35/208227335.db2.gz ROIWKWBREMGWMX-IAGOWNOFSA-N 2 2 360.506 0.654 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000106530939 208227635 /nfs/dbraw/zinc/22/76/35/208227635.db2.gz ZHLHIDFIBSDELC-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000106529812 208228360 /nfs/dbraw/zinc/22/83/60/208228360.db2.gz RWUVPCMPWGXJLF-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216013 208292251 /nfs/dbraw/zinc/29/22/51/208292251.db2.gz PNAQUHYLJFDBDV-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216013 208292258 /nfs/dbraw/zinc/29/22/58/208292258.db2.gz PNAQUHYLJFDBDV-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP O=S1(=O)CCCN1CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119211331 208356616 /nfs/dbraw/zinc/35/66/16/208356616.db2.gz GQYBHPVBHYCXHK-UHFFFAOYSA-N 2 2 359.415 0.658 20 0 FCADLP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[NH+]1CCOCC1 ZINC000119803070 208368114 /nfs/dbraw/zinc/36/81/14/208368114.db2.gz FOULWMVUDVVILM-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC[NH+](C)C)C[C@H](C)O1 ZINC000118094447 208348359 /nfs/dbraw/zinc/34/83/59/208348359.db2.gz WNOGBVRSDZQCKO-GJZGRUSLSA-N 2 2 362.474 0.912 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000118107207 208349115 /nfs/dbraw/zinc/34/91/15/208349115.db2.gz WTIZDEWSRZORHX-MRXNPFEDSA-N 2 2 360.458 0.668 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000118107207 208349117 /nfs/dbraw/zinc/34/91/17/208349117.db2.gz WTIZDEWSRZORHX-MRXNPFEDSA-N 2 2 360.458 0.668 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118843180 208351949 /nfs/dbraw/zinc/35/19/49/208351949.db2.gz RAFCQIKRSDLVJK-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118843180 208351953 /nfs/dbraw/zinc/35/19/53/208351953.db2.gz RAFCQIKRSDLVJK-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843180 208351955 /nfs/dbraw/zinc/35/19/55/208351955.db2.gz RAFCQIKRSDLVJK-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843180 208351957 /nfs/dbraw/zinc/35/19/57/208351957.db2.gz RAFCQIKRSDLVJK-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841555 208352772 /nfs/dbraw/zinc/35/27/72/208352772.db2.gz PFKXLWAMFCOKQU-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841555 208352774 /nfs/dbraw/zinc/35/27/74/208352774.db2.gz PFKXLWAMFCOKQU-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841555 208352777 /nfs/dbraw/zinc/35/27/77/208352777.db2.gz PFKXLWAMFCOKQU-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841555 208352778 /nfs/dbraw/zinc/35/27/78/208352778.db2.gz PFKXLWAMFCOKQU-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000119886580 208371933 /nfs/dbraw/zinc/37/19/33/208371933.db2.gz KXAGWXWLSQNXEE-HOTGVXAUSA-N 2 2 361.490 0.611 20 0 FCADLP C[C@@H](C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000125814545 208466026 /nfs/dbraw/zinc/46/60/26/208466026.db2.gz JRVAVPNTCKPIKN-INIZCTEOSA-N 2 2 363.481 0.358 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)c1 ZINC000409450222 533067723 /nfs/dbraw/zinc/06/77/23/533067723.db2.gz LAYRYJVVYRLWBD-HNNXBMFYSA-N 2 2 351.447 0.769 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000176919170 209012409 /nfs/dbraw/zinc/01/24/09/209012409.db2.gz CXGVRRCSXCTGPX-UHFFFAOYSA-N 2 2 371.441 0.864 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2ccc(C(N)=O)cc2)CC1 ZINC000177135202 209018145 /nfs/dbraw/zinc/01/81/45/209018145.db2.gz WQZRWOACLTVOCQ-UHFFFAOYSA-N 2 2 362.474 0.697 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000177136912 209018644 /nfs/dbraw/zinc/01/86/44/209018644.db2.gz RPYZNCPNGIXDKP-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP CC1(O)CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000177292933 209021952 /nfs/dbraw/zinc/02/19/52/209021952.db2.gz ZJMILVYJVUPRQV-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP CN(CCNS(=O)(=O)c1ccccc1)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177376427 209023486 /nfs/dbraw/zinc/02/34/86/209023486.db2.gz ULLRRDJPYIYPHK-UHFFFAOYSA-N 2 2 368.547 0.923 20 0 FCADLP CN(CCNS(=O)(=O)c1ccccc1)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177376427 209023491 /nfs/dbraw/zinc/02/34/91/209023491.db2.gz ULLRRDJPYIYPHK-UHFFFAOYSA-N 2 2 368.547 0.923 20 0 FCADLP CN(CC[N@H+](C)CCNS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000177376427 209023494 /nfs/dbraw/zinc/02/34/94/209023494.db2.gz ULLRRDJPYIYPHK-UHFFFAOYSA-N 2 2 368.547 0.923 20 0 FCADLP CN(CC[N@@H+](C)CCNS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000177376427 209023496 /nfs/dbraw/zinc/02/34/96/209023496.db2.gz ULLRRDJPYIYPHK-UHFFFAOYSA-N 2 2 368.547 0.923 20 0 FCADLP C[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000178804088 209062079 /nfs/dbraw/zinc/06/20/79/209062079.db2.gz QTXPLIIRMLWQKX-WBVHZDCISA-N 2 2 366.506 0.062 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000178876036 209064054 /nfs/dbraw/zinc/06/40/54/209064054.db2.gz HWULXXMXEOAKIV-GOSISDBHSA-N 2 2 366.469 0.429 20 0 FCADLP CCCNC(=O)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000179921749 209089597 /nfs/dbraw/zinc/08/95/97/209089597.db2.gz NYTSBARVGVALFI-UHFFFAOYSA-N 2 2 360.506 0.967 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+](C)C1 ZINC000413120729 533479642 /nfs/dbraw/zinc/47/96/42/533479642.db2.gz CYXAVDPVBVMMJD-AWEZNQCLSA-N 2 2 363.462 0.508 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+](C)C1 ZINC000413120729 533479648 /nfs/dbraw/zinc/47/96/48/533479648.db2.gz CYXAVDPVBVMMJD-AWEZNQCLSA-N 2 2 363.462 0.508 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000413065819 533479741 /nfs/dbraw/zinc/47/97/41/533479741.db2.gz CAGOYPFRRNISMV-HOTGVXAUSA-N 2 2 370.494 0.089 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000413065819 533479742 /nfs/dbraw/zinc/47/97/42/533479742.db2.gz CAGOYPFRRNISMV-HOTGVXAUSA-N 2 2 370.494 0.089 20 0 FCADLP C[C@H]1CC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1n1cc[nH+]c1 ZINC000163288430 533644756 /nfs/dbraw/zinc/64/47/56/533644756.db2.gz BVUGRZWYCPTULF-RYUDHWBXSA-N 2 2 357.418 0.240 20 0 FCADLP C[C@H]1CC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1n1cc[nH+]c1 ZINC000163288430 533644762 /nfs/dbraw/zinc/64/47/62/533644762.db2.gz BVUGRZWYCPTULF-RYUDHWBXSA-N 2 2 357.418 0.240 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000179291741 209075638 /nfs/dbraw/zinc/07/56/38/209075638.db2.gz HCSAFZPLIWDZIH-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000179317464 209076211 /nfs/dbraw/zinc/07/62/11/209076211.db2.gz KPUUHEPMRRUZSC-UHFFFAOYSA-N 2 2 360.506 0.939 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000179398471 209077080 /nfs/dbraw/zinc/07/70/80/209077080.db2.gz WHQORVYWEYTHCL-WOJBJXKFSA-N 2 2 374.529 0.890 20 0 FCADLP C[NH+](C)Cc1nc(C2(NC(=O)C[NH2+]C[C@H]3CCCO3)CCCC2)no1 ZINC000166106218 229204446 /nfs/dbraw/zinc/20/44/46/229204446.db2.gz BMYAXJIGPMAJCK-CYBMUJFWSA-N 2 2 351.451 0.785 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000165028206 229204961 /nfs/dbraw/zinc/20/49/61/229204961.db2.gz SFLLEXNANJXVBM-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@@H]1O ZINC000186863772 229238418 /nfs/dbraw/zinc/23/84/18/229238418.db2.gz WNVQIYGFBIHCPW-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@@H]1O ZINC000186863772 229238424 /nfs/dbraw/zinc/23/84/24/229238424.db2.gz WNVQIYGFBIHCPW-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000194982089 229272359 /nfs/dbraw/zinc/27/23/59/229272359.db2.gz FRQDZTCYFHZLLH-ZACQAIPSSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000194982089 229272364 /nfs/dbraw/zinc/27/23/64/229272364.db2.gz FRQDZTCYFHZLLH-ZACQAIPSSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000410474232 230092940 /nfs/dbraw/zinc/09/29/40/230092940.db2.gz KRTYVYMUSODVOI-SFHVURJKSA-N 2 2 372.513 0.926 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000410474232 230092945 /nfs/dbraw/zinc/09/29/45/230092945.db2.gz KRTYVYMUSODVOI-SFHVURJKSA-N 2 2 372.513 0.926 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000410521925 230118997 /nfs/dbraw/zinc/11/89/97/230118997.db2.gz CRKGLTJRMWHYEF-HOTGVXAUSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000410521925 230119001 /nfs/dbraw/zinc/11/90/01/230119001.db2.gz CRKGLTJRMWHYEF-HOTGVXAUSA-N 2 2 359.474 0.508 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000410545786 230131623 /nfs/dbraw/zinc/13/16/23/230131623.db2.gz OFODOLXJQGWDHW-MRXNPFEDSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000410545786 230131625 /nfs/dbraw/zinc/13/16/25/230131625.db2.gz OFODOLXJQGWDHW-MRXNPFEDSA-N 2 2 367.453 0.958 20 0 FCADLP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000410795674 230252749 /nfs/dbraw/zinc/25/27/49/230252749.db2.gz XQDWYBJKBKDWPH-QGZVFWFLSA-N 2 2 360.458 0.862 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1 ZINC000934054813 674284291 /nfs/dbraw/zinc/28/42/91/674284291.db2.gz UJNYAQJLYKBYRO-INIZCTEOSA-N 2 2 357.495 0.077 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1 ZINC000934054813 674284294 /nfs/dbraw/zinc/28/42/94/674284294.db2.gz UJNYAQJLYKBYRO-INIZCTEOSA-N 2 2 357.495 0.077 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507202933 484075091 /nfs/dbraw/zinc/07/50/91/484075091.db2.gz RVFYKMITZWFULX-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507202933 484075101 /nfs/dbraw/zinc/07/51/01/484075101.db2.gz RVFYKMITZWFULX-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000541250854 484475224 /nfs/dbraw/zinc/47/52/24/484475224.db2.gz COGHQAXVCAGWET-HNNXBMFYSA-N 2 2 351.451 0.122 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)CC1 ZINC000301204253 488877020 /nfs/dbraw/zinc/87/70/20/488877020.db2.gz ROIWKWBREMGWMX-SJORKVTESA-N 2 2 360.506 0.654 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000363742861 488880928 /nfs/dbraw/zinc/88/09/28/488880928.db2.gz ABPJPZLNYKRZKU-SFHVURJKSA-N 2 2 361.486 0.975 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)C1 ZINC000302222956 488888572 /nfs/dbraw/zinc/88/85/72/488888572.db2.gz NFSJNSKIZNRWNN-HUUCEWRRSA-N 2 2 359.474 0.997 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1C ZINC000302522081 488889891 /nfs/dbraw/zinc/88/98/91/488889891.db2.gz YZHOPXKUYGOXPG-GASCZTMLSA-N 2 2 362.478 0.300 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1C ZINC000302522081 488889894 /nfs/dbraw/zinc/88/98/94/488889894.db2.gz YZHOPXKUYGOXPG-GASCZTMLSA-N 2 2 362.478 0.300 20 0 FCADLP COCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000363847425 488891953 /nfs/dbraw/zinc/89/19/53/488891953.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000363847425 488891955 /nfs/dbraw/zinc/89/19/55/488891955.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363847425 488891958 /nfs/dbraw/zinc/89/19/58/488891958.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363847425 488891961 /nfs/dbraw/zinc/89/19/61/488891961.db2.gz WNLKYGBQMBPAEN-QGZVFWFLSA-N 3 2 355.527 0.375 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCO4)C2)CC1 ZINC000363910592 488899550 /nfs/dbraw/zinc/89/95/50/488899550.db2.gz PWAQIXHLQUBRFK-INIZCTEOSA-N 2 2 372.469 0.845 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCO4)C2)CC1 ZINC000363910592 488899551 /nfs/dbraw/zinc/89/95/51/488899551.db2.gz PWAQIXHLQUBRFK-INIZCTEOSA-N 2 2 372.469 0.845 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323607870 488904028 /nfs/dbraw/zinc/90/40/28/488904028.db2.gz KGRWHSXMZYMGRL-MRXNPFEDSA-N 2 2 353.488 0.483 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323607870 488904031 /nfs/dbraw/zinc/90/40/31/488904031.db2.gz KGRWHSXMZYMGRL-MRXNPFEDSA-N 2 2 353.488 0.483 20 0 FCADLP COc1cc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)cn1 ZINC000287776364 488904569 /nfs/dbraw/zinc/90/45/69/488904569.db2.gz RVZYKXGYGYXISQ-UONOGXRCSA-N 2 2 366.437 0.813 20 0 FCADLP O=C(CC[N@H+]1CCN(C2CC2)C(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328657672 488927258 /nfs/dbraw/zinc/92/72/58/488927258.db2.gz PLZPRCRPACCGTK-UHFFFAOYSA-N 2 2 357.458 0.427 20 0 FCADLP C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364150754 488928033 /nfs/dbraw/zinc/92/80/33/488928033.db2.gz PARAZDRUKLBIGV-UXLLHSPISA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364150754 488928037 /nfs/dbraw/zinc/92/80/37/488928037.db2.gz PARAZDRUKLBIGV-UXLLHSPISA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3OCC(N)=O)C2)CC1 ZINC000364206097 488935112 /nfs/dbraw/zinc/93/51/12/488935112.db2.gz JEMBUYVZDHBEJR-AWEZNQCLSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3OCC(N)=O)C2)CC1 ZINC000364206097 488935115 /nfs/dbraw/zinc/93/51/15/488935115.db2.gz JEMBUYVZDHBEJR-AWEZNQCLSA-N 2 2 360.458 0.449 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364282796 488943854 /nfs/dbraw/zinc/94/38/54/488943854.db2.gz OKLKBTOORPJEKS-ZWKOTPCHSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364282796 488943855 /nfs/dbraw/zinc/94/38/55/488943855.db2.gz OKLKBTOORPJEKS-ZWKOTPCHSA-N 2 2 354.454 0.981 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C ZINC000328934358 488953100 /nfs/dbraw/zinc/95/31/00/488953100.db2.gz CELQQZYUPMLGRL-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C ZINC000328934358 488953102 /nfs/dbraw/zinc/95/31/02/488953102.db2.gz CELQQZYUPMLGRL-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000364414508 488957452 /nfs/dbraw/zinc/95/74/52/488957452.db2.gz CYOHMSBYNMTLEO-GOSISDBHSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000364414508 488957455 /nfs/dbraw/zinc/95/74/55/488957455.db2.gz CYOHMSBYNMTLEO-GOSISDBHSA-N 2 2 351.491 0.811 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000328980679 488957515 /nfs/dbraw/zinc/95/75/15/488957515.db2.gz RLVHKTAOZCKBBC-IRXDYDNUSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000328980679 488957518 /nfs/dbraw/zinc/95/75/18/488957518.db2.gz RLVHKTAOZCKBBC-IRXDYDNUSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000022942425 487627669 /nfs/dbraw/zinc/62/76/69/487627669.db2.gz JCCZBKDCJWQOHJ-UHFFFAOYSA-N 2 2 360.502 0.773 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000042288944 487860307 /nfs/dbraw/zinc/86/03/07/487860307.db2.gz YNWZUYOVVKMDLC-CQSZACIVSA-N 2 2 357.462 0.886 20 0 FCADLP C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000042288944 487860314 /nfs/dbraw/zinc/86/03/14/487860314.db2.gz YNWZUYOVVKMDLC-CQSZACIVSA-N 2 2 357.462 0.886 20 0 FCADLP C[NH+](C)CCOc1cccc(CNC(=O)NCC[NH+]2CCOCC2)c1 ZINC000042950188 487884302 /nfs/dbraw/zinc/88/43/02/487884302.db2.gz MTWRTZFNUJJAQK-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043310889 487897548 /nfs/dbraw/zinc/89/75/48/487897548.db2.gz HJXVDDBPADMXEI-UHFFFAOYSA-N 2 2 350.467 0.469 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043310889 487897552 /nfs/dbraw/zinc/89/75/52/487897552.db2.gz HJXVDDBPADMXEI-UHFFFAOYSA-N 2 2 350.467 0.469 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858005 487923623 /nfs/dbraw/zinc/92/36/23/487923623.db2.gz UFCDXUMKSNJUNJ-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858005 487923629 /nfs/dbraw/zinc/92/36/29/487923629.db2.gz UFCDXUMKSNJUNJ-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)N1CCCC1 ZINC000044857931 487924222 /nfs/dbraw/zinc/92/42/22/487924222.db2.gz RMRWRWXKWCFBPW-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)N1CCCC1 ZINC000044857931 487924225 /nfs/dbraw/zinc/92/42/25/487924225.db2.gz RMRWRWXKWCFBPW-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797713 488114254 /nfs/dbraw/zinc/11/42/54/488114254.db2.gz WPHPSYDIGVZVDX-CYBMUJFWSA-N 2 2 366.535 0.971 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(-n4cnnn4)c3)CC2)CC1 ZINC000050803050 488115850 /nfs/dbraw/zinc/11/58/50/488115850.db2.gz NPGLHARPYOZYJZ-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000051562743 488137627 /nfs/dbraw/zinc/13/76/27/488137627.db2.gz ZQHCLEDUFGSVLI-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000051562743 488137633 /nfs/dbraw/zinc/13/76/33/488137633.db2.gz ZQHCLEDUFGSVLI-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000051562743 488137637 /nfs/dbraw/zinc/13/76/37/488137637.db2.gz ZQHCLEDUFGSVLI-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000051562743 488137640 /nfs/dbraw/zinc/13/76/40/488137640.db2.gz ZQHCLEDUFGSVLI-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000051762865 488144342 /nfs/dbraw/zinc/14/43/42/488144342.db2.gz VZTOVZZWBRXXKY-UHFFFAOYSA-N 2 2 372.469 0.769 20 0 FCADLP CNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000052330477 488164892 /nfs/dbraw/zinc/16/48/92/488164892.db2.gz FJFCQMXYJKEXAM-UHFFFAOYSA-N 2 2 364.515 0.850 20 0 FCADLP CC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000053457288 488202163 /nfs/dbraw/zinc/20/21/63/488202163.db2.gz OFZHHURUSPUZGI-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000053457288 488202165 /nfs/dbraw/zinc/20/21/65/488202165.db2.gz OFZHHURUSPUZGI-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CC[N@H+](CC(N)=O)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000364547844 488970995 /nfs/dbraw/zinc/97/09/95/488970995.db2.gz QAMAZLIDHYPAEQ-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP CC[N@@H+](CC(N)=O)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000364547844 488970997 /nfs/dbraw/zinc/97/09/97/488970997.db2.gz QAMAZLIDHYPAEQ-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP CC[NH+](CC(N)=O)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000364547844 488970999 /nfs/dbraw/zinc/97/09/99/488970999.db2.gz QAMAZLIDHYPAEQ-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP CC[NH+](CC(N)=O)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000364547844 488971002 /nfs/dbraw/zinc/97/10/02/488971002.db2.gz QAMAZLIDHYPAEQ-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP CCC[N@H+](CC(=O)NC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000056508799 488257382 /nfs/dbraw/zinc/25/73/82/488257382.db2.gz ZFESPGJCGYFJSP-UHFFFAOYSA-N 2 2 368.522 0.596 20 0 FCADLP CCC[N@@H+](CC(=O)NC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000056508799 488257386 /nfs/dbraw/zinc/25/73/86/488257386.db2.gz ZFESPGJCGYFJSP-UHFFFAOYSA-N 2 2 368.522 0.596 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000066186468 488325586 /nfs/dbraw/zinc/32/55/86/488325586.db2.gz FFRIBXGISBEPOS-INIZCTEOSA-N 2 2 363.510 0.628 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000066186468 488325589 /nfs/dbraw/zinc/32/55/89/488325589.db2.gz FFRIBXGISBEPOS-INIZCTEOSA-N 2 2 363.510 0.628 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000562817868 491191833 /nfs/dbraw/zinc/19/18/33/491191833.db2.gz NLVGWPCDKKVNEM-OEAJRASXSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000562817868 491191834 /nfs/dbraw/zinc/19/18/34/491191834.db2.gz NLVGWPCDKKVNEM-OEAJRASXSA-N 2 2 352.458 0.630 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067413570 488350339 /nfs/dbraw/zinc/35/03/39/488350339.db2.gz MVHALYXNRZKFLK-SFHVURJKSA-N 2 2 373.501 0.968 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067413570 488350342 /nfs/dbraw/zinc/35/03/42/488350342.db2.gz MVHALYXNRZKFLK-SFHVURJKSA-N 2 2 373.501 0.968 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000068063451 488359875 /nfs/dbraw/zinc/35/98/75/488359875.db2.gz XIEYUFDDDJMCON-UHFFFAOYSA-N 2 2 355.442 0.777 20 0 FCADLP O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000072696526 488382496 /nfs/dbraw/zinc/38/24/96/488382496.db2.gz BSBVYMHGUCCYRJ-UHFFFAOYSA-N 2 2 360.458 0.526 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719313 488382643 /nfs/dbraw/zinc/38/26/43/488382643.db2.gz XJBSWLDCDYQLFH-ZACQAIPSSA-N 2 2 350.507 0.907 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719313 488382644 /nfs/dbraw/zinc/38/26/44/488382644.db2.gz XJBSWLDCDYQLFH-ZACQAIPSSA-N 2 2 350.507 0.907 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000073589452 488385109 /nfs/dbraw/zinc/38/51/09/488385109.db2.gz KHMFCWMHJWPMEK-MSOLQXFVSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000073589452 488385110 /nfs/dbraw/zinc/38/51/10/488385110.db2.gz KHMFCWMHJWPMEK-MSOLQXFVSA-N 2 2 369.554 0.526 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073881184 488386687 /nfs/dbraw/zinc/38/66/87/488386687.db2.gz NESCIHQHWBHNBS-LSDHHAIUSA-N 2 2 353.511 0.711 20 0 FCADLP O=C(CC[NH2+][C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000182696774 488389021 /nfs/dbraw/zinc/38/90/21/488389021.db2.gz XKZUOQZWAWOOHL-OAHLLOKOSA-N 2 2 366.487 0.287 20 0 FCADLP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146261 488391564 /nfs/dbraw/zinc/39/15/64/488391564.db2.gz OEPXQFORGDWRBE-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146261 488391568 /nfs/dbraw/zinc/39/15/68/488391568.db2.gz OEPXQFORGDWRBE-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371563 488391945 /nfs/dbraw/zinc/39/19/45/488391945.db2.gz IEOMREFNMYFIIQ-ZWKOTPCHSA-N 2 2 369.554 0.528 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371563 488391950 /nfs/dbraw/zinc/39/19/50/488391950.db2.gz IEOMREFNMYFIIQ-ZWKOTPCHSA-N 2 2 369.554 0.528 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000184788448 488397209 /nfs/dbraw/zinc/39/72/09/488397209.db2.gz UVKOCCUVWLAOFE-QZTJIDSGSA-N 2 2 370.538 0.831 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000569822257 491195342 /nfs/dbraw/zinc/19/53/42/491195342.db2.gz BGKUAQIAOZEPDW-PMPSAXMXSA-N 2 2 352.479 0.004 20 0 FCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860959 488399303 /nfs/dbraw/zinc/39/93/03/488399303.db2.gz POMFKYRWCAYETJ-QGZVFWFLSA-N 2 2 350.507 0.873 20 0 FCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860959 488399305 /nfs/dbraw/zinc/39/93/05/488399305.db2.gz POMFKYRWCAYETJ-QGZVFWFLSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860959 488399308 /nfs/dbraw/zinc/39/93/08/488399308.db2.gz POMFKYRWCAYETJ-QGZVFWFLSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075860959 488399309 /nfs/dbraw/zinc/39/93/09/488399309.db2.gz POMFKYRWCAYETJ-QGZVFWFLSA-N 2 2 350.507 0.873 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076282531 488402895 /nfs/dbraw/zinc/40/28/95/488402895.db2.gz MEQZJPPXAGTGBO-UHFFFAOYSA-N 2 2 361.446 0.857 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000076410719 488404442 /nfs/dbraw/zinc/40/44/42/488404442.db2.gz WPGUGXUTPWIWAF-LJQANCHMSA-N 2 2 360.502 0.732 20 0 FCADLP COC(=O)C1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000186859143 488408439 /nfs/dbraw/zinc/40/84/39/488408439.db2.gz XRBRRMJHVLPOBR-UHFFFAOYSA-N 2 2 352.479 0.797 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000188820810 488413556 /nfs/dbraw/zinc/41/35/56/488413556.db2.gz LHCIRGHQADOJFE-UHFFFAOYSA-N 2 2 363.510 0.582 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[NH+](C[C@H](C)O)CC3)CC2)c1 ZINC000189390921 488414749 /nfs/dbraw/zinc/41/47/49/488414749.db2.gz DMOMXPJISFXSML-IBGZPJMESA-N 2 2 374.529 0.638 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189739941 488415902 /nfs/dbraw/zinc/41/59/02/488415902.db2.gz UODXSFAZKBOKQX-OAHLLOKOSA-N 2 2 363.510 0.975 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000077803684 488418083 /nfs/dbraw/zinc/41/80/83/488418083.db2.gz HGZPRFORTYMARE-HNNXBMFYSA-N 2 2 367.519 0.860 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000078489131 488422694 /nfs/dbraw/zinc/42/26/94/488422694.db2.gz BCWXAVIYVFNNNY-GOSISDBHSA-N 2 2 361.486 0.975 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000078682715 488424303 /nfs/dbraw/zinc/42/43/03/488424303.db2.gz NCAOPLQDINEGMB-GOSISDBHSA-N 2 2 362.474 0.037 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000078682715 488424305 /nfs/dbraw/zinc/42/43/05/488424305.db2.gz NCAOPLQDINEGMB-GOSISDBHSA-N 2 2 362.474 0.037 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079200989 488428694 /nfs/dbraw/zinc/42/86/94/488428694.db2.gz JVOUZAAITPIMQW-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080015790 488433146 /nfs/dbraw/zinc/43/31/46/488433146.db2.gz GEMNZHUSULYBOQ-OAHLLOKOSA-N 2 2 358.450 0.183 20 0 FCADLP CN(C(=O)CC1CCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000080080259 488433447 /nfs/dbraw/zinc/43/34/47/488433447.db2.gz ASBFJNODYLHHQE-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000080176075 488434529 /nfs/dbraw/zinc/43/45/29/488434529.db2.gz FXAHZGVJELIRFV-CQSZACIVSA-N 2 2 359.430 0.967 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000081395774 488442011 /nfs/dbraw/zinc/44/20/11/488442011.db2.gz JEEFJMZAJKOMQI-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000081395774 488442013 /nfs/dbraw/zinc/44/20/13/488442013.db2.gz JEEFJMZAJKOMQI-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000081395774 488442015 /nfs/dbraw/zinc/44/20/15/488442015.db2.gz JEEFJMZAJKOMQI-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000081395774 488442016 /nfs/dbraw/zinc/44/20/16/488442016.db2.gz JEEFJMZAJKOMQI-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCN(C)CC1 ZINC000083698561 488447911 /nfs/dbraw/zinc/44/79/11/488447911.db2.gz IFCYWOXJLZDZLZ-MRXNPFEDSA-N 2 2 365.526 0.557 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)N1CC[NH+](C)CC1 ZINC000083698561 488447914 /nfs/dbraw/zinc/44/79/14/488447914.db2.gz IFCYWOXJLZDZLZ-MRXNPFEDSA-N 2 2 365.526 0.557 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083733571 488448736 /nfs/dbraw/zinc/44/87/36/488448736.db2.gz PDYWVCGXGIXSAJ-IRXDYDNUSA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083733571 488448737 /nfs/dbraw/zinc/44/87/37/488448737.db2.gz PDYWVCGXGIXSAJ-IRXDYDNUSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000083715081 488448803 /nfs/dbraw/zinc/44/88/03/488448803.db2.gz XPPPUMUZCXBYNB-SJORKVTESA-N 2 2 356.511 0.441 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)n1C ZINC000083738463 488449185 /nfs/dbraw/zinc/44/91/85/488449185.db2.gz IKZHDWMJKTYFLZ-UHFFFAOYSA-N 2 2 364.494 0.740 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000084694461 488450646 /nfs/dbraw/zinc/45/06/46/488450646.db2.gz CMXNZUCAIGJRPW-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000085366372 488451669 /nfs/dbraw/zinc/45/16/69/488451669.db2.gz VFILHTHXRCAQHL-HUUCEWRRSA-N 2 2 367.538 0.957 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc1 ZINC000236978573 488453738 /nfs/dbraw/zinc/45/37/38/488453738.db2.gz MMESIHVGPIECFH-UHFFFAOYSA-N 2 2 360.458 0.161 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C1CC1 ZINC000087087275 488453833 /nfs/dbraw/zinc/45/38/33/488453833.db2.gz MRADOZPDIISOMW-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C1CC1 ZINC000087087275 488453834 /nfs/dbraw/zinc/45/38/34/488453834.db2.gz MRADOZPDIISOMW-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000087138104 488453964 /nfs/dbraw/zinc/45/39/64/488453964.db2.gz HWDZVBDONQCXLP-CVEARBPZSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000087138104 488453966 /nfs/dbraw/zinc/45/39/66/488453966.db2.gz HWDZVBDONQCXLP-CVEARBPZSA-N 2 2 365.522 0.807 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236848702 488453981 /nfs/dbraw/zinc/45/39/81/488453981.db2.gz JZOSDWZKONOWAH-IBGZPJMESA-N 2 2 358.486 0.980 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237421384 488455606 /nfs/dbraw/zinc/45/56/06/488455606.db2.gz KJPDWMFNTVNODB-AEFFLSMTSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3=O)c2)C[C@H](C)O1 ZINC000237639699 488455960 /nfs/dbraw/zinc/45/59/60/488455960.db2.gz MJFNAUXWTXMVBB-GASCZTMLSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3=O)c2)C[C@H](C)O1 ZINC000237639699 488455962 /nfs/dbraw/zinc/45/59/62/488455962.db2.gz MJFNAUXWTXMVBB-GASCZTMLSA-N 2 2 360.458 0.666 20 0 FCADLP Cn1cncc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000237929266 488457807 /nfs/dbraw/zinc/45/78/07/488457807.db2.gz KVXOAICPZDXCOP-UHFFFAOYSA-N 2 2 364.475 0.057 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952435 488467958 /nfs/dbraw/zinc/46/79/58/488467958.db2.gz ZSVXKOVBXQVFJZ-QZTJIDSGSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952435 488467963 /nfs/dbraw/zinc/46/79/63/488467963.db2.gz ZSVXKOVBXQVFJZ-QZTJIDSGSA-N 3 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952435 488467966 /nfs/dbraw/zinc/46/79/66/488467966.db2.gz ZSVXKOVBXQVFJZ-QZTJIDSGSA-N 2 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952435 488467968 /nfs/dbraw/zinc/46/79/68/488467968.db2.gz ZSVXKOVBXQVFJZ-QZTJIDSGSA-N 2 2 351.539 0.251 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269235132 488481333 /nfs/dbraw/zinc/48/13/33/488481333.db2.gz WNQTXKNROUZFNF-KRWDZBQOSA-N 2 2 374.485 0.446 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1F ZINC000269236091 488481463 /nfs/dbraw/zinc/48/14/63/488481463.db2.gz MWHQEHFFGQAVCZ-OAHLLOKOSA-N 2 2 351.422 0.857 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000269241010 488481604 /nfs/dbraw/zinc/48/16/04/488481604.db2.gz AIRDMIVBBYCRJH-HNNXBMFYSA-N 2 2 362.478 0.594 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000269241010 488481606 /nfs/dbraw/zinc/48/16/06/488481606.db2.gz AIRDMIVBBYCRJH-HNNXBMFYSA-N 2 2 362.478 0.594 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000097175027 488492463 /nfs/dbraw/zinc/49/24/63/488492463.db2.gz SILXWAIDIPENKC-KRWDZBQOSA-N 2 2 365.522 0.668 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000097175027 488492465 /nfs/dbraw/zinc/49/24/65/488492465.db2.gz SILXWAIDIPENKC-KRWDZBQOSA-N 2 2 365.522 0.668 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000248567521 488498252 /nfs/dbraw/zinc/49/82/52/488498252.db2.gz BZPXZVBMKVPFPL-HOTGVXAUSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000248567521 488498253 /nfs/dbraw/zinc/49/82/53/488498253.db2.gz BZPXZVBMKVPFPL-HOTGVXAUSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248740367 488501848 /nfs/dbraw/zinc/50/18/48/488501848.db2.gz RNGMNVWKJBKQDT-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248740367 488501850 /nfs/dbraw/zinc/50/18/50/488501850.db2.gz RNGMNVWKJBKQDT-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000249110657 488505717 /nfs/dbraw/zinc/50/57/17/488505717.db2.gz MMCFDDPBRRJGLV-DLBZAZTESA-N 2 2 369.554 0.357 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000249110657 488505720 /nfs/dbraw/zinc/50/57/20/488505720.db2.gz MMCFDDPBRRJGLV-DLBZAZTESA-N 2 2 369.554 0.357 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000249204436 488507568 /nfs/dbraw/zinc/50/75/68/488507568.db2.gz AYMOGGHGGZDHCB-IRXDYDNUSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000249204436 488507571 /nfs/dbraw/zinc/50/75/71/488507571.db2.gz AYMOGGHGGZDHCB-IRXDYDNUSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@H]1O ZINC000249594796 488513228 /nfs/dbraw/zinc/51/32/28/488513228.db2.gz WNVQIYGFBIHCPW-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@H]1O ZINC000249594796 488513230 /nfs/dbraw/zinc/51/32/30/488513230.db2.gz WNVQIYGFBIHCPW-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP CCOCC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000106386538 488513484 /nfs/dbraw/zinc/51/34/84/488513484.db2.gz OTYJLKFPZMIYRJ-RDGPPVDQSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000106386538 488513485 /nfs/dbraw/zinc/51/34/85/488513485.db2.gz OTYJLKFPZMIYRJ-RDGPPVDQSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000106386538 488513486 /nfs/dbraw/zinc/51/34/86/488513486.db2.gz OTYJLKFPZMIYRJ-RDGPPVDQSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000106386538 488513487 /nfs/dbraw/zinc/51/34/87/488513487.db2.gz OTYJLKFPZMIYRJ-RDGPPVDQSA-N 2 2 357.539 0.889 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106525156 488514726 /nfs/dbraw/zinc/51/47/26/488514726.db2.gz GLDUZNSIRGYIGG-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106525156 488514728 /nfs/dbraw/zinc/51/47/28/488514728.db2.gz GLDUZNSIRGYIGG-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000251555076 488516523 /nfs/dbraw/zinc/51/65/23/488516523.db2.gz GACVNJDSNCMNHQ-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000251555076 488516525 /nfs/dbraw/zinc/51/65/25/488516525.db2.gz GACVNJDSNCMNHQ-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000251555076 488516527 /nfs/dbraw/zinc/51/65/27/488516527.db2.gz GACVNJDSNCMNHQ-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000251555076 488516528 /nfs/dbraw/zinc/51/65/28/488516528.db2.gz GACVNJDSNCMNHQ-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108562668 488519401 /nfs/dbraw/zinc/51/94/01/488519401.db2.gz VAHDOHDWVBVXGA-FUHWJXTLSA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108562668 488519404 /nfs/dbraw/zinc/51/94/04/488519404.db2.gz VAHDOHDWVBVXGA-FUHWJXTLSA-N 2 2 368.547 0.978 20 0 FCADLP C[C@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000253356049 488520260 /nfs/dbraw/zinc/52/02/60/488520260.db2.gz XPQWOABVSZADLR-FHWLQOOXSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000253356049 488520262 /nfs/dbraw/zinc/52/02/62/488520262.db2.gz XPQWOABVSZADLR-FHWLQOOXSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000253356049 488520264 /nfs/dbraw/zinc/52/02/64/488520264.db2.gz XPQWOABVSZADLR-FHWLQOOXSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000253356049 488520266 /nfs/dbraw/zinc/52/02/66/488520266.db2.gz XPQWOABVSZADLR-FHWLQOOXSA-N 2 2 354.539 0.434 20 0 FCADLP CCOCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000261470934 488526333 /nfs/dbraw/zinc/52/63/33/488526333.db2.gz UXSARFOASIVHIF-UHFFFAOYSA-N 2 2 374.529 0.985 20 0 FCADLP [NH3+][C@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CCOCC1 ZINC000261603846 488527182 /nfs/dbraw/zinc/52/71/82/488527182.db2.gz AIDUIROCUNKJGA-SFHVURJKSA-N 2 2 357.458 0.732 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261667306 488529689 /nfs/dbraw/zinc/52/96/89/488529689.db2.gz ITLWKOOICMTAJD-MRXNPFEDSA-N 2 2 354.476 0.546 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261667306 488529692 /nfs/dbraw/zinc/52/96/92/488529692.db2.gz ITLWKOOICMTAJD-MRXNPFEDSA-N 2 2 354.476 0.546 20 0 FCADLP CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261684064 488530316 /nfs/dbraw/zinc/53/03/16/488530316.db2.gz ABFMAHPRESBNGB-KRWDZBQOSA-N 2 2 352.504 0.716 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261760554 488534535 /nfs/dbraw/zinc/53/45/35/488534535.db2.gz VSKGIVNGHXLPSG-INIZCTEOSA-N 2 2 352.504 0.416 20 0 FCADLP CC(C)(CNC(=O)C[N@H+](CCO)CCc1ccccc1)[NH+]1CCOCC1 ZINC000112731442 488536298 /nfs/dbraw/zinc/53/62/98/488536298.db2.gz IRODXGQAUIAEBP-UHFFFAOYSA-N 2 2 363.502 0.750 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+](CCO)CCc1ccccc1)[NH+]1CCOCC1 ZINC000112731442 488536299 /nfs/dbraw/zinc/53/62/99/488536299.db2.gz IRODXGQAUIAEBP-UHFFFAOYSA-N 2 2 363.502 0.750 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1nnnn1C ZINC000112921380 488536863 /nfs/dbraw/zinc/53/68/63/488536863.db2.gz SSNSMHILQMOBDN-UHFFFAOYSA-N 2 2 355.512 0.177 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1nnnn1C ZINC000112921380 488536864 /nfs/dbraw/zinc/53/68/64/488536864.db2.gz SSNSMHILQMOBDN-UHFFFAOYSA-N 2 2 355.512 0.177 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC000261811663 488537229 /nfs/dbraw/zinc/53/72/29/488537229.db2.gz OWGNBSCDDNYIEX-GOSISDBHSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC000261811663 488537231 /nfs/dbraw/zinc/53/72/31/488537231.db2.gz OWGNBSCDDNYIEX-GOSISDBHSA-N 2 2 351.447 0.999 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1=O ZINC000114165107 488540030 /nfs/dbraw/zinc/54/00/30/488540030.db2.gz UFUUSUPPXNFALP-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902366 488541306 /nfs/dbraw/zinc/54/13/06/488541306.db2.gz RVDVNYNMPDNKHH-KGLIPLIRSA-N 2 2 365.503 0.686 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902366 488541309 /nfs/dbraw/zinc/54/13/09/488541309.db2.gz RVDVNYNMPDNKHH-KGLIPLIRSA-N 2 2 365.503 0.686 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1C ZINC000261927347 488542091 /nfs/dbraw/zinc/54/20/91/488542091.db2.gz ZLXUQQPDGGNOMI-MRXNPFEDSA-N 2 2 354.476 0.560 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1C ZINC000261927347 488542094 /nfs/dbraw/zinc/54/20/94/488542094.db2.gz ZLXUQQPDGGNOMI-MRXNPFEDSA-N 2 2 354.476 0.560 20 0 FCADLP Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261965425 488543967 /nfs/dbraw/zinc/54/39/67/488543967.db2.gz PSIWWZYIQFISBC-LBPRGKRZSA-N 2 2 370.295 0.826 20 0 FCADLP Cn1ncc(Br)c1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261965425 488543968 /nfs/dbraw/zinc/54/39/68/488543968.db2.gz PSIWWZYIQFISBC-LBPRGKRZSA-N 2 2 370.295 0.826 20 0 FCADLP C[C@H]1CCC[C@@](CNC(=O)N(CCO)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000119081959 488555242 /nfs/dbraw/zinc/55/52/42/488555242.db2.gz VTCJLYJGBCBIFW-PKOBYXMFSA-N 2 2 370.538 0.833 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cnn(C)c1 ZINC000262347831 488565257 /nfs/dbraw/zinc/56/52/57/488565257.db2.gz ISINVXBKDYATHP-KRWDZBQOSA-N 2 2 357.462 0.144 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000262357756 488566053 /nfs/dbraw/zinc/56/60/53/488566053.db2.gz JXXDGFXBAQWLRQ-QGZVFWFLSA-N 2 2 363.458 0.392 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262396579 488568467 /nfs/dbraw/zinc/56/84/67/488568467.db2.gz ZHLUEVHRIZEALX-SFYZZRBRSA-N 2 2 350.507 0.810 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262396579 488568468 /nfs/dbraw/zinc/56/84/68/488568468.db2.gz ZHLUEVHRIZEALX-SFYZZRBRSA-N 2 2 350.507 0.810 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC[NH2+]1 ZINC000262448325 488570520 /nfs/dbraw/zinc/57/05/20/488570520.db2.gz ZAKJVLNEWKKFCL-BZSNNMDCSA-N 2 2 361.486 0.959 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C(N)=O)O1 ZINC000122083579 488574928 /nfs/dbraw/zinc/57/49/28/488574928.db2.gz LFFKUQPFFWIDLX-QAPCUYQASA-N 2 2 374.485 0.473 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C(N)=O)O1 ZINC000122083579 488574931 /nfs/dbraw/zinc/57/49/31/488574931.db2.gz LFFKUQPFFWIDLX-QAPCUYQASA-N 2 2 374.485 0.473 20 0 FCADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000262679120 488585889 /nfs/dbraw/zinc/58/58/89/488585889.db2.gz SDIICQRZTBUIRV-GOEBONIOSA-N 2 2 351.472 0.233 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC1 ZINC000554590291 491211595 /nfs/dbraw/zinc/21/15/95/491211595.db2.gz WXLCQUCELMCXNI-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000263247013 488607544 /nfs/dbraw/zinc/60/75/44/488607544.db2.gz IAHOTUWCFGHRAP-CVEARBPZSA-N 2 2 360.458 0.815 20 0 FCADLP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000263247024 488607658 /nfs/dbraw/zinc/60/76/58/488607658.db2.gz IAHOTUWCFGHRAP-JKSUJKDBSA-N 2 2 360.458 0.815 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000263262703 488607785 /nfs/dbraw/zinc/60/77/85/488607785.db2.gz TYGUDEHDNPGOSH-WMZOPIPTSA-N 2 2 362.474 0.276 20 0 FCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000263256660 488607869 /nfs/dbraw/zinc/60/78/69/488607869.db2.gz LAMJNPNMXDWTDI-QGZVFWFLSA-N 2 2 354.458 0.285 20 0 FCADLP CC[C@H](COC)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127188141 488615203 /nfs/dbraw/zinc/61/52/03/488615203.db2.gz ICDQUENPVNQHRI-OAHLLOKOSA-N 2 2 356.492 0.548 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000263698985 488619585 /nfs/dbraw/zinc/61/95/85/488619585.db2.gz AWNQNFZFCCOXEJ-SFHVURJKSA-N 2 2 364.490 0.937 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000263698985 488619586 /nfs/dbraw/zinc/61/95/86/488619586.db2.gz AWNQNFZFCCOXEJ-SFHVURJKSA-N 2 2 364.490 0.937 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263753925 488624629 /nfs/dbraw/zinc/62/46/29/488624629.db2.gz UZXQWTMAELSBGJ-LSDHHAIUSA-N 2 2 350.467 0.514 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263753925 488624631 /nfs/dbraw/zinc/62/46/31/488624631.db2.gz UZXQWTMAELSBGJ-LSDHHAIUSA-N 2 2 350.467 0.514 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000128568372 488625160 /nfs/dbraw/zinc/62/51/60/488625160.db2.gz PPQNPCDYWFNKSK-UHFFFAOYSA-N 2 2 357.458 0.967 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000264125830 488649377 /nfs/dbraw/zinc/64/93/77/488649377.db2.gz XXDYXLDVWDKKRA-UHFFFAOYSA-N 2 2 357.458 0.889 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522373 488660580 /nfs/dbraw/zinc/66/05/80/488660580.db2.gz FTTSYFWFEBYLBE-ICSRJNTNSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522373 488660581 /nfs/dbraw/zinc/66/05/81/488660581.db2.gz FTTSYFWFEBYLBE-ICSRJNTNSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522373 488660584 /nfs/dbraw/zinc/66/05/84/488660584.db2.gz FTTSYFWFEBYLBE-ICSRJNTNSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522373 488660586 /nfs/dbraw/zinc/66/05/86/488660586.db2.gz FTTSYFWFEBYLBE-ICSRJNTNSA-N 2 2 374.529 0.887 20 0 FCADLP CNS(=O)(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)co1 ZINC000134180261 488665101 /nfs/dbraw/zinc/66/51/01/488665101.db2.gz XQNGIHRRBFWJCX-UHFFFAOYSA-N 2 2 372.491 0.286 20 0 FCADLP CNS(=O)(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)co1 ZINC000134180261 488665102 /nfs/dbraw/zinc/66/51/02/488665102.db2.gz XQNGIHRRBFWJCX-UHFFFAOYSA-N 2 2 372.491 0.286 20 0 FCADLP CC[C@@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000134588325 488667995 /nfs/dbraw/zinc/66/79/95/488667995.db2.gz XMSJFAWBKBUNJL-IBGZPJMESA-N 2 2 359.474 0.769 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000134740691 488668969 /nfs/dbraw/zinc/66/89/69/488668969.db2.gz JQRZDJLFMFWFGW-IAGOWNOFSA-N 2 2 354.495 0.386 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CCC2CC2)CC1 ZINC000135296411 488671775 /nfs/dbraw/zinc/67/17/75/488671775.db2.gz GGRCRRWNYULSHQ-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CCC2CC2)CC1 ZINC000135296411 488671778 /nfs/dbraw/zinc/67/17/78/488671778.db2.gz GGRCRRWNYULSHQ-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CCCC1 ZINC000554662733 491216533 /nfs/dbraw/zinc/21/65/33/491216533.db2.gz WGUYKLOFVVNGKV-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CCCC1 ZINC000554662733 491216536 /nfs/dbraw/zinc/21/65/36/491216536.db2.gz WGUYKLOFVVNGKV-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)C[C@H]2[NH3+])cn1 ZINC000563112367 491217088 /nfs/dbraw/zinc/21/70/88/491217088.db2.gz GINFFIQVUBZALW-RBUKOAKNSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cn21 ZINC000264572089 488686514 /nfs/dbraw/zinc/68/65/14/488686514.db2.gz ZYTASERBKZFBFZ-HNNXBMFYSA-N 2 2 358.446 0.782 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cn21 ZINC000264572089 488686515 /nfs/dbraw/zinc/68/65/15/488686515.db2.gz ZYTASERBKZFBFZ-HNNXBMFYSA-N 2 2 358.446 0.782 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000264590807 488688113 /nfs/dbraw/zinc/68/81/13/488688113.db2.gz DOCHJXNQRBFKIW-AWEZNQCLSA-N 2 2 362.478 0.851 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000264606047 488689503 /nfs/dbraw/zinc/68/95/03/488689503.db2.gz OJSMIGMQEKPHKZ-OAHLLOKOSA-N 2 2 358.446 0.516 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000264606047 488689504 /nfs/dbraw/zinc/68/95/04/488689504.db2.gz OJSMIGMQEKPHKZ-OAHLLOKOSA-N 2 2 358.446 0.516 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151231178 488702893 /nfs/dbraw/zinc/70/28/93/488702893.db2.gz KBUAKZJWAPZFCU-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151332103 488703949 /nfs/dbraw/zinc/70/39/49/488703949.db2.gz IYWODJMZHMRACF-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151332103 488703951 /nfs/dbraw/zinc/70/39/51/488703951.db2.gz IYWODJMZHMRACF-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP [NH3+]CC(=O)NCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000274398080 488704700 /nfs/dbraw/zinc/70/47/00/488704700.db2.gz FYFLRLOFPLGOMM-CYBMUJFWSA-N 2 2 356.829 0.807 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000152291076 488716141 /nfs/dbraw/zinc/71/61/41/488716141.db2.gz QPPIDLNQNBFHCD-HOCLYGCPSA-N 2 2 362.478 0.686 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000274524909 488716820 /nfs/dbraw/zinc/71/68/20/488716820.db2.gz ZMLUCBQVSWCVAE-HNNXBMFYSA-N 2 2 365.478 0.629 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000274524909 488716821 /nfs/dbraw/zinc/71/68/21/488716821.db2.gz ZMLUCBQVSWCVAE-HNNXBMFYSA-N 2 2 365.478 0.629 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000152883103 488724431 /nfs/dbraw/zinc/72/44/31/488724431.db2.gz FZXCFUZZLIUJMH-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000152883103 488724433 /nfs/dbraw/zinc/72/44/33/488724433.db2.gz FZXCFUZZLIUJMH-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266840415 488735998 /nfs/dbraw/zinc/73/59/98/488735998.db2.gz NOQFETUIONOSFN-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266849786 488737112 /nfs/dbraw/zinc/73/71/12/488737112.db2.gz QJLCEGMVBUYNCF-LJQANCHMSA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266849786 488737115 /nfs/dbraw/zinc/73/71/15/488737115.db2.gz QJLCEGMVBUYNCF-LJQANCHMSA-N 2 2 359.518 0.410 20 0 FCADLP CN1CCN(c2cc(N3CCC([N@H+](C)CCCO)CC3)[nH+]cn2)CC1=O ZINC000274882354 488739928 /nfs/dbraw/zinc/73/99/28/488739928.db2.gz HSPKQRQYWYGLNL-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP CN1CCN(c2cc(N3CCC([N@@H+](C)CCCO)CC3)[nH+]cn2)CC1=O ZINC000274882354 488739929 /nfs/dbraw/zinc/73/99/29/488739929.db2.gz HSPKQRQYWYGLNL-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP CN1CCN(c2cc(N3CCC([N@H+](C)CCCO)CC3)nc[nH+]2)CC1=O ZINC000274882354 488739931 /nfs/dbraw/zinc/73/99/31/488739931.db2.gz HSPKQRQYWYGLNL-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP CN1CCN(c2cc(N3CCC([N@@H+](C)CCCO)CC3)nc[nH+]2)CC1=O ZINC000274882354 488739932 /nfs/dbraw/zinc/73/99/32/488739932.db2.gz HSPKQRQYWYGLNL-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266967154 488748578 /nfs/dbraw/zinc/74/85/78/488748578.db2.gz YMYMUQPDJCSMDN-ZDUSSCGKSA-N 2 2 356.430 0.668 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266969557 488748966 /nfs/dbraw/zinc/74/89/66/488748966.db2.gz ZLAJRAFEJPFODT-UHFFFAOYSA-N 2 2 363.462 0.205 20 0 FCADLP CN1CCN(c2cc(NC[C@@]3([NH+](C)C)CCSC3)nc[nH+]2)CC1=O ZINC000274976579 488749699 /nfs/dbraw/zinc/74/96/99/488749699.db2.gz YSBOBVKZUXGPNM-INIZCTEOSA-N 2 2 350.492 0.604 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000267042902 488756152 /nfs/dbraw/zinc/75/61/52/488756152.db2.gz FIYNKWQPSQJEBS-KRWDZBQOSA-N 2 2 360.462 0.693 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)ccn2)CC1 ZINC000155808749 488759421 /nfs/dbraw/zinc/75/94/21/488759421.db2.gz SKNAODRVXICYMG-SJORKVTESA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)ccn2)CC1 ZINC000155808749 488759424 /nfs/dbraw/zinc/75/94/24/488759424.db2.gz SKNAODRVXICYMG-SJORKVTESA-N 2 2 374.489 0.058 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156501733 488766029 /nfs/dbraw/zinc/76/60/29/488766029.db2.gz NWPMEJFIQICZHD-WBVHZDCISA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156501733 488766032 /nfs/dbraw/zinc/76/60/32/488766032.db2.gz NWPMEJFIQICZHD-WBVHZDCISA-N 2 2 359.474 0.847 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)CC1 ZINC000275168598 488768398 /nfs/dbraw/zinc/76/83/98/488768398.db2.gz KNJSHWDDTLYDMY-IBGZPJMESA-N 2 2 371.485 0.696 20 0 FCADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288489 488770312 /nfs/dbraw/zinc/77/03/12/488770312.db2.gz ZTQMKAVDAIEQDY-IAGOWNOFSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288489 488770314 /nfs/dbraw/zinc/77/03/14/488770314.db2.gz ZTQMKAVDAIEQDY-IAGOWNOFSA-N 2 2 362.474 0.592 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000157559594 488772559 /nfs/dbraw/zinc/77/25/59/488772559.db2.gz NRKMEEOKAWIFHL-CYBMUJFWSA-N 2 2 350.467 0.337 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000570165241 491221567 /nfs/dbraw/zinc/22/15/67/491221567.db2.gz PSPHGDPMHNNDSP-IERDGZPVSA-N 2 2 370.497 0.729 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000267310060 488776323 /nfs/dbraw/zinc/77/63/23/488776323.db2.gz ARUWJHVGURVFFE-UHFFFAOYSA-N 2 2 371.441 0.599 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H](C[NH3+])C1 ZINC000162266276 488801243 /nfs/dbraw/zinc/80/12/43/488801243.db2.gz SQVVAJLNPXHORZ-NVXWUHKLSA-N 2 2 362.449 0.779 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H](C[NH3+])C1 ZINC000162266276 488801245 /nfs/dbraw/zinc/80/12/45/488801245.db2.gz SQVVAJLNPXHORZ-NVXWUHKLSA-N 2 2 362.449 0.779 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)[C@H](C[NH3+])C1 ZINC000162514375 488803501 /nfs/dbraw/zinc/80/35/01/488803501.db2.gz KPEBDTBMBUBAER-GFCCVEGCSA-N 2 2 355.398 0.244 20 0 FCADLP C[N@H+]1CCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)[C@H](C[NH3+])C1 ZINC000162514375 488803503 /nfs/dbraw/zinc/80/35/03/488803503.db2.gz KPEBDTBMBUBAER-GFCCVEGCSA-N 2 2 355.398 0.244 20 0 FCADLP COc1ccc(-c2noc(CCC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])n2)cc1 ZINC000162611681 488804154 /nfs/dbraw/zinc/80/41/54/488804154.db2.gz LAEIPNLKGHXTSZ-CQSZACIVSA-N 2 2 359.430 0.779 20 0 FCADLP COc1ccc(-c2noc(CCC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])n2)cc1 ZINC000162611681 488804156 /nfs/dbraw/zinc/80/41/56/488804156.db2.gz LAEIPNLKGHXTSZ-CQSZACIVSA-N 2 2 359.430 0.779 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000563152507 491222787 /nfs/dbraw/zinc/22/27/87/491222787.db2.gz BFHARILSHJRLOQ-QXKUPLGCSA-N 2 2 357.520 0.470 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000563152507 491222790 /nfs/dbraw/zinc/22/27/90/491222790.db2.gz BFHARILSHJRLOQ-QXKUPLGCSA-N 2 2 357.520 0.470 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000164458266 488810425 /nfs/dbraw/zinc/81/04/25/488810425.db2.gz MAVMXHUXHNMNED-UHFFFAOYSA-N 2 2 350.467 0.305 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1)[NH+]1CCOCC1 ZINC000170731350 488815833 /nfs/dbraw/zinc/81/58/33/488815833.db2.gz QZRSCMQMLHJXIK-OAHLLOKOSA-N 2 2 354.495 0.191 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](CCC(N)=O)C1)[NH+]1CCOCC1 ZINC000170731350 488815835 /nfs/dbraw/zinc/81/58/35/488815835.db2.gz QZRSCMQMLHJXIK-OAHLLOKOSA-N 2 2 354.495 0.191 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCN(C)CC1 ZINC000171099019 488819703 /nfs/dbraw/zinc/81/97/03/488819703.db2.gz DKXRWXKSXWQTFW-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCN(C)CC1 ZINC000171099019 488819704 /nfs/dbraw/zinc/81/97/04/488819704.db2.gz DKXRWXKSXWQTFW-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)N1CC[NH+](C)CC1 ZINC000171099019 488819705 /nfs/dbraw/zinc/81/97/05/488819705.db2.gz DKXRWXKSXWQTFW-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)N1CC[NH+](C)CC1 ZINC000171099019 488819706 /nfs/dbraw/zinc/81/97/06/488819706.db2.gz DKXRWXKSXWQTFW-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCN(C)CC1 ZINC000171099027 488819777 /nfs/dbraw/zinc/81/97/77/488819777.db2.gz DKXRWXKSXWQTFW-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCN(C)CC1 ZINC000171099027 488819779 /nfs/dbraw/zinc/81/97/79/488819779.db2.gz DKXRWXKSXWQTFW-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)N1CC[NH+](C)CC1 ZINC000171099027 488819781 /nfs/dbraw/zinc/81/97/81/488819781.db2.gz DKXRWXKSXWQTFW-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)N1CC[NH+](C)CC1 ZINC000171099027 488819783 /nfs/dbraw/zinc/81/97/83/488819783.db2.gz DKXRWXKSXWQTFW-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000171199535 488821076 /nfs/dbraw/zinc/82/10/76/488821076.db2.gz KQAVVBDHTLLXCH-UHFFFAOYSA-N 2 2 364.490 0.896 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000171199535 488821077 /nfs/dbraw/zinc/82/10/77/488821077.db2.gz KQAVVBDHTLLXCH-UHFFFAOYSA-N 2 2 364.490 0.896 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000171702429 488826015 /nfs/dbraw/zinc/82/60/15/488826015.db2.gz ZFJKRDRSLWHAAV-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000171702429 488826017 /nfs/dbraw/zinc/82/60/17/488826017.db2.gz ZFJKRDRSLWHAAV-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000171702429 488826019 /nfs/dbraw/zinc/82/60/19/488826019.db2.gz ZFJKRDRSLWHAAV-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000171702429 488826020 /nfs/dbraw/zinc/82/60/20/488826020.db2.gz ZFJKRDRSLWHAAV-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CN1CC[NH+]1CCOCC1 ZINC000172697165 488836505 /nfs/dbraw/zinc/83/65/05/488836505.db2.gz OWXVMMUMRHHSMC-SFHVURJKSA-N 2 2 369.469 0.895 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000172697281 488836712 /nfs/dbraw/zinc/83/67/12/488836712.db2.gz SMWJROURGYJROI-OAHLLOKOSA-N 2 2 351.422 0.857 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172789149 488837843 /nfs/dbraw/zinc/83/78/43/488837843.db2.gz UZGQOLACIDISBH-SFHVURJKSA-N 2 2 374.533 0.346 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000174546391 488849635 /nfs/dbraw/zinc/84/96/35/488849635.db2.gz UZQFNJIQCZABMS-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000174546391 488849636 /nfs/dbraw/zinc/84/96/36/488849636.db2.gz UZQFNJIQCZABMS-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000174544437 488849723 /nfs/dbraw/zinc/84/97/23/488849723.db2.gz UNGBPICRVSYIAU-MRXNPFEDSA-N 2 2 351.495 0.467 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000174544437 488849724 /nfs/dbraw/zinc/84/97/24/488849724.db2.gz UNGBPICRVSYIAU-MRXNPFEDSA-N 2 2 351.495 0.467 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174602090 488850171 /nfs/dbraw/zinc/85/01/71/488850171.db2.gz KDAYCPRZNGXKOZ-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174602090 488850172 /nfs/dbraw/zinc/85/01/72/488850172.db2.gz KDAYCPRZNGXKOZ-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000174602090 488850173 /nfs/dbraw/zinc/85/01/73/488850173.db2.gz KDAYCPRZNGXKOZ-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000174602090 488850174 /nfs/dbraw/zinc/85/01/74/488850174.db2.gz KDAYCPRZNGXKOZ-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174691224 488850774 /nfs/dbraw/zinc/85/07/74/488850774.db2.gz ZMKOKRANFUNYCH-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174691224 488850775 /nfs/dbraw/zinc/85/07/75/488850775.db2.gz ZMKOKRANFUNYCH-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000174726574 488850964 /nfs/dbraw/zinc/85/09/64/488850964.db2.gz AFDLXZRMYCNVEF-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000174726574 488850965 /nfs/dbraw/zinc/85/09/65/488850965.db2.gz AFDLXZRMYCNVEF-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000174806309 488851494 /nfs/dbraw/zinc/85/14/94/488851494.db2.gz ZYEVPGHCAFPQMU-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000174806309 488851495 /nfs/dbraw/zinc/85/14/95/488851495.db2.gz ZYEVPGHCAFPQMU-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000175085862 488853070 /nfs/dbraw/zinc/85/30/70/488853070.db2.gz OTZWXBNCXPYBQO-CQSZACIVSA-N 2 2 364.515 0.727 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000175633096 488854717 /nfs/dbraw/zinc/85/47/17/488854717.db2.gz FOAZWTDNTCODCZ-RCCFBDPRSA-N 2 2 368.522 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000175633096 488854718 /nfs/dbraw/zinc/85/47/18/488854718.db2.gz FOAZWTDNTCODCZ-RCCFBDPRSA-N 2 2 368.522 0.705 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000175633047 488854726 /nfs/dbraw/zinc/85/47/26/488854726.db2.gz FOAZWTDNTCODCZ-KURKYZTESA-N 2 2 368.522 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000175633047 488854727 /nfs/dbraw/zinc/85/47/27/488854727.db2.gz FOAZWTDNTCODCZ-KURKYZTESA-N 2 2 368.522 0.705 20 0 FCADLP O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175888867 488856396 /nfs/dbraw/zinc/85/63/96/488856396.db2.gz QBEDOOUARVXNMA-SFHVURJKSA-N 2 2 371.485 0.608 20 0 FCADLP O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175888867 488856397 /nfs/dbraw/zinc/85/63/97/488856397.db2.gz QBEDOOUARVXNMA-SFHVURJKSA-N 2 2 371.485 0.608 20 0 FCADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000177574267 488859620 /nfs/dbraw/zinc/85/96/20/488859620.db2.gz SIDRKSCTWOPWPW-LJQANCHMSA-N 2 2 362.474 0.583 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000182234223 488864266 /nfs/dbraw/zinc/86/42/66/488864266.db2.gz BURXLQAOPSDDBX-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000182234223 488864267 /nfs/dbraw/zinc/86/42/67/488864267.db2.gz BURXLQAOPSDDBX-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000182234223 488864268 /nfs/dbraw/zinc/86/42/68/488864268.db2.gz BURXLQAOPSDDBX-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000182234223 488864269 /nfs/dbraw/zinc/86/42/69/488864269.db2.gz BURXLQAOPSDDBX-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C[N@@H+]1C ZINC000329202008 488980121 /nfs/dbraw/zinc/98/01/21/488980121.db2.gz WUTRQFPJQCHZDL-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C[N@H+]1C ZINC000329202008 488980126 /nfs/dbraw/zinc/98/01/26/488980126.db2.gz WUTRQFPJQCHZDL-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000364677954 488984575 /nfs/dbraw/zinc/98/45/75/488984575.db2.gz OYIYIMIQDYDYFT-RBUKOAKNSA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000364677954 488984577 /nfs/dbraw/zinc/98/45/77/488984577.db2.gz OYIYIMIQDYDYFT-RBUKOAKNSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000364677954 488984579 /nfs/dbraw/zinc/98/45/79/488984579.db2.gz OYIYIMIQDYDYFT-RBUKOAKNSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000364677954 488984582 /nfs/dbraw/zinc/98/45/82/488984582.db2.gz OYIYIMIQDYDYFT-RBUKOAKNSA-N 2 2 361.486 0.980 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000280268963 488993455 /nfs/dbraw/zinc/99/34/55/488993455.db2.gz CXAGXQBEXFJIPQ-BGYRXZFFSA-N 2 2 370.497 0.741 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000280268963 488993459 /nfs/dbraw/zinc/99/34/59/488993459.db2.gz CXAGXQBEXFJIPQ-BGYRXZFFSA-N 2 2 370.497 0.741 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000280268963 488993462 /nfs/dbraw/zinc/99/34/62/488993462.db2.gz CXAGXQBEXFJIPQ-BGYRXZFFSA-N 2 2 370.497 0.741 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000280268963 488993465 /nfs/dbraw/zinc/99/34/65/488993465.db2.gz CXAGXQBEXFJIPQ-BGYRXZFFSA-N 2 2 370.497 0.741 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCCOCC3)C2)CC1 ZINC000364734860 488994224 /nfs/dbraw/zinc/99/42/24/488994224.db2.gz LSMVISNCUXHLLQ-MRXNPFEDSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCCOCC3)C2)CC1 ZINC000364734860 488994227 /nfs/dbraw/zinc/99/42/27/488994227.db2.gz LSMVISNCUXHLLQ-MRXNPFEDSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@@H+]3CCCOCC3)C2)CC1 ZINC000364734860 488994230 /nfs/dbraw/zinc/99/42/30/488994230.db2.gz LSMVISNCUXHLLQ-MRXNPFEDSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@H+]3CCCOCC3)C2)CC1 ZINC000364734860 488994234 /nfs/dbraw/zinc/99/42/34/488994234.db2.gz LSMVISNCUXHLLQ-MRXNPFEDSA-N 3 2 353.511 0.176 20 0 FCADLP CC[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329354521 488996928 /nfs/dbraw/zinc/99/69/28/488996928.db2.gz VKTHACOMPCSAGO-IAGOWNOFSA-N 2 2 374.551 0.301 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)N1CCCC1 ZINC000329363448 488997652 /nfs/dbraw/zinc/99/76/52/488997652.db2.gz JFJGHDXVJYOBRO-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)N1CCCC1 ZINC000329363448 488997654 /nfs/dbraw/zinc/99/76/54/488997654.db2.gz JFJGHDXVJYOBRO-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000563201165 491227279 /nfs/dbraw/zinc/22/72/79/491227279.db2.gz OGYAUUPOLTUASN-UHFFFAOYSA-N 2 2 370.457 0.510 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000329480391 489008733 /nfs/dbraw/zinc/00/87/33/489008733.db2.gz CYCIFJAJAMCVNC-JFIYKMOQSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1C[C@@H](C)O ZINC000329480391 489008735 /nfs/dbraw/zinc/00/87/35/489008735.db2.gz CYCIFJAJAMCVNC-JFIYKMOQSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1C[C@@H](C)O ZINC000329480391 489008736 /nfs/dbraw/zinc/00/87/36/489008736.db2.gz CYCIFJAJAMCVNC-JFIYKMOQSA-N 2 2 353.507 0.933 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509098 489011183 /nfs/dbraw/zinc/01/11/83/489011183.db2.gz JONJWUMCOHVJPL-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509098 489011186 /nfs/dbraw/zinc/01/11/86/489011186.db2.gz JONJWUMCOHVJPL-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509098 489011189 /nfs/dbraw/zinc/01/11/89/489011189.db2.gz JONJWUMCOHVJPL-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1C ZINC000329509098 489011191 /nfs/dbraw/zinc/01/11/91/489011191.db2.gz JONJWUMCOHVJPL-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]CC1 ZINC000563209621 491227940 /nfs/dbraw/zinc/22/79/40/491227940.db2.gz LYBWUOPQZOUYHL-UHFFFAOYSA-N 2 2 362.455 0.655 20 0 FCADLP CN(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c[nH+]cn1C ZINC000280696151 489024977 /nfs/dbraw/zinc/02/49/77/489024977.db2.gz ACDAAHLKHXYGSN-HKUYNNGSSA-N 2 2 371.485 0.906 20 0 FCADLP CN(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c[nH+]cn1C ZINC000280696151 489024978 /nfs/dbraw/zinc/02/49/78/489024978.db2.gz ACDAAHLKHXYGSN-HKUYNNGSSA-N 2 2 371.485 0.906 20 0 FCADLP CN(C)[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1c[nH+]cn1C ZINC000280791993 489031792 /nfs/dbraw/zinc/03/17/92/489031792.db2.gz OKDBQDJVGLRTKA-QGZVFWFLSA-N 2 2 359.478 0.491 20 0 FCADLP CN(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1c[nH+]cn1C ZINC000280791993 489031796 /nfs/dbraw/zinc/03/17/96/489031796.db2.gz OKDBQDJVGLRTKA-QGZVFWFLSA-N 2 2 359.478 0.491 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000289045119 489038087 /nfs/dbraw/zinc/03/80/87/489038087.db2.gz NJUHJRLBYAIWOE-KBXCAEBGSA-N 2 2 372.469 0.892 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000289045119 489038089 /nfs/dbraw/zinc/03/80/89/489038089.db2.gz NJUHJRLBYAIWOE-KBXCAEBGSA-N 2 2 372.469 0.892 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100968 489038423 /nfs/dbraw/zinc/03/84/23/489038423.db2.gz RJHRFDLTFZDALO-AEFFLSMTSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100968 489038426 /nfs/dbraw/zinc/03/84/26/489038426.db2.gz RJHRFDLTFZDALO-AEFFLSMTSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100968 489038429 /nfs/dbraw/zinc/03/84/29/489038429.db2.gz RJHRFDLTFZDALO-AEFFLSMTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100968 489038432 /nfs/dbraw/zinc/03/84/32/489038432.db2.gz RJHRFDLTFZDALO-AEFFLSMTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000365151957 489043670 /nfs/dbraw/zinc/04/36/70/489043670.db2.gz VHFNOCQHOUOIQS-IAGOWNOFSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000365258981 489054494 /nfs/dbraw/zinc/05/44/94/489054494.db2.gz IRRMRPNKQAOJON-BBWFWOEESA-N 3 2 367.538 0.563 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000365258981 489054497 /nfs/dbraw/zinc/05/44/97/489054497.db2.gz IRRMRPNKQAOJON-BBWFWOEESA-N 3 2 367.538 0.563 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000289431064 489066944 /nfs/dbraw/zinc/06/69/44/489066944.db2.gz VSFZAFCNYXIFDF-CYBMUJFWSA-N 2 2 361.446 0.931 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000289431064 489066945 /nfs/dbraw/zinc/06/69/45/489066945.db2.gz VSFZAFCNYXIFDF-CYBMUJFWSA-N 2 2 361.446 0.931 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000281348640 489069251 /nfs/dbraw/zinc/06/92/51/489069251.db2.gz ZOTARIRIVWUJFS-GOSISDBHSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000281348640 489069253 /nfs/dbraw/zinc/06/92/53/489069253.db2.gz ZOTARIRIVWUJFS-GOSISDBHSA-N 2 2 364.515 0.850 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)ccc1=O ZINC000281371415 489070872 /nfs/dbraw/zinc/07/08/72/489070872.db2.gz XURYNVYMJYIJQF-KRWDZBQOSA-N 2 2 362.474 0.992 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)ccc1=O ZINC000281371415 489070875 /nfs/dbraw/zinc/07/08/75/489070875.db2.gz XURYNVYMJYIJQF-KRWDZBQOSA-N 2 2 362.474 0.992 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cncc(F)c1 ZINC000281376019 489071321 /nfs/dbraw/zinc/07/13/21/489071321.db2.gz GUWRBJRVQWOFTH-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cncc(F)c1 ZINC000281376019 489071323 /nfs/dbraw/zinc/07/13/23/489071323.db2.gz GUWRBJRVQWOFTH-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000289583464 489078795 /nfs/dbraw/zinc/07/87/95/489078795.db2.gz DYAXEMWRDJGRDN-RHSMWYFYSA-N 2 2 353.488 0.758 20 0 FCADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205855 489080293 /nfs/dbraw/zinc/08/02/93/489080293.db2.gz DTAXWHLZIYWIQN-IRXDYDNUSA-N 2 2 359.536 0.984 20 0 FCADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205855 489080294 /nfs/dbraw/zinc/08/02/94/489080294.db2.gz DTAXWHLZIYWIQN-IRXDYDNUSA-N 2 2 359.536 0.984 20 0 FCADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205856 489080354 /nfs/dbraw/zinc/08/03/54/489080354.db2.gz DTAXWHLZIYWIQN-SJORKVTESA-N 2 2 359.536 0.984 20 0 FCADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205856 489080355 /nfs/dbraw/zinc/08/03/55/489080355.db2.gz DTAXWHLZIYWIQN-SJORKVTESA-N 2 2 359.536 0.984 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn(Cc4ccccn4)nn3)C2)CC1 ZINC000365586883 489091210 /nfs/dbraw/zinc/09/12/10/489091210.db2.gz YRDCNGAONRELEY-MRXNPFEDSA-N 2 2 369.473 0.620 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn(Cc4ccccn4)nn3)C2)CC1 ZINC000365586883 489091211 /nfs/dbraw/zinc/09/12/11/489091211.db2.gz YRDCNGAONRELEY-MRXNPFEDSA-N 2 2 369.473 0.620 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370209 489094470 /nfs/dbraw/zinc/09/44/70/489094470.db2.gz DTIBUFPCDLDCIB-GOEBONIOSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370209 489094471 /nfs/dbraw/zinc/09/44/71/489094471.db2.gz DTIBUFPCDLDCIB-GOEBONIOSA-N 2 2 354.520 0.833 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C2)CC1 ZINC000554931906 491232712 /nfs/dbraw/zinc/23/27/12/491232712.db2.gz CKULEPBHIHGFDT-WBVHZDCISA-N 2 2 354.495 0.012 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)C2)CC1 ZINC000554931906 491232715 /nfs/dbraw/zinc/23/27/15/491232715.db2.gz CKULEPBHIHGFDT-WBVHZDCISA-N 2 2 354.495 0.012 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000289831398 489096085 /nfs/dbraw/zinc/09/60/85/489096085.db2.gz JSXQLPHFKKBPAC-UONOGXRCSA-N 2 2 369.487 0.827 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000554934398 491233030 /nfs/dbraw/zinc/23/30/30/491233030.db2.gz LYMYBWJNANLTAM-LJQANCHMSA-N 3 2 366.550 0.708 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000554934398 491233034 /nfs/dbraw/zinc/23/30/34/491233034.db2.gz LYMYBWJNANLTAM-LJQANCHMSA-N 3 2 366.550 0.708 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000365743283 489107861 /nfs/dbraw/zinc/10/78/61/489107861.db2.gz KMFSNTHAPGUYIS-MSOLQXFVSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000365743283 489107864 /nfs/dbraw/zinc/10/78/64/489107864.db2.gz KMFSNTHAPGUYIS-MSOLQXFVSA-N 2 2 368.522 0.994 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290287351 489127908 /nfs/dbraw/zinc/12/79/08/489127908.db2.gz BHFWFSDEWVWEBV-IAGOWNOFSA-N 2 2 373.501 0.967 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290287351 489127911 /nfs/dbraw/zinc/12/79/11/489127911.db2.gz BHFWFSDEWVWEBV-IAGOWNOFSA-N 2 2 373.501 0.967 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)CC1 ZINC000366053847 489139200 /nfs/dbraw/zinc/13/92/00/489139200.db2.gz TUJDDZUPRBOAHM-UXHICEINSA-N 2 2 372.513 0.908 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC[NH+]3CCOCC3)C2)CC1 ZINC000366052923 489139662 /nfs/dbraw/zinc/13/96/62/489139662.db2.gz NZSRKAGIIAXEMP-KRWDZBQOSA-N 2 2 353.511 0.129 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290719348 489160296 /nfs/dbraw/zinc/16/02/96/489160296.db2.gz XOPVBPDGEKHNJX-BBWFWOEESA-N 2 2 371.485 0.862 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290719348 489160298 /nfs/dbraw/zinc/16/02/98/489160298.db2.gz XOPVBPDGEKHNJX-BBWFWOEESA-N 2 2 371.485 0.862 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000563309859 491236351 /nfs/dbraw/zinc/23/63/51/491236351.db2.gz NAMKRINELYRFBK-INIZCTEOSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000563309859 491236352 /nfs/dbraw/zinc/23/63/52/491236352.db2.gz NAMKRINELYRFBK-INIZCTEOSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331372485 489202714 /nfs/dbraw/zinc/20/27/14/489202714.db2.gz BRXYIVWZQYHKRS-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331372485 489202717 /nfs/dbraw/zinc/20/27/17/489202717.db2.gz BRXYIVWZQYHKRS-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000331429608 489209971 /nfs/dbraw/zinc/20/99/71/489209971.db2.gz VRHPYTFBRCOIRH-CVEARBPZSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000331429608 489209973 /nfs/dbraw/zinc/20/99/73/489209973.db2.gz VRHPYTFBRCOIRH-CVEARBPZSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000331429608 489209975 /nfs/dbraw/zinc/20/99/75/489209975.db2.gz VRHPYTFBRCOIRH-CVEARBPZSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331429608 489209977 /nfs/dbraw/zinc/20/99/77/489209977.db2.gz VRHPYTFBRCOIRH-CVEARBPZSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000331429610 489210019 /nfs/dbraw/zinc/21/00/19/489210019.db2.gz VRHPYTFBRCOIRH-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000331429610 489210021 /nfs/dbraw/zinc/21/00/21/489210021.db2.gz VRHPYTFBRCOIRH-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000331429610 489210024 /nfs/dbraw/zinc/21/00/24/489210024.db2.gz VRHPYTFBRCOIRH-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000331429610 489210025 /nfs/dbraw/zinc/21/00/25/489210025.db2.gz VRHPYTFBRCOIRH-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000332561560 489220681 /nfs/dbraw/zinc/22/06/81/489220681.db2.gz WVOSZYKETQZVLZ-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)CC2)cc[nH+]1 ZINC000332565558 489221007 /nfs/dbraw/zinc/22/10/07/489221007.db2.gz WYOIPUWBFZJNQL-INIZCTEOSA-N 2 2 374.489 0.232 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@H]3C(C)C)CC2)cc[nH+]1 ZINC000332565558 489221009 /nfs/dbraw/zinc/22/10/09/489221009.db2.gz WYOIPUWBFZJNQL-INIZCTEOSA-N 2 2 374.489 0.232 20 0 FCADLP O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000332774404 489228922 /nfs/dbraw/zinc/22/89/22/489228922.db2.gz IHEGYXIKBZHBLP-KURKYZTESA-N 2 2 351.491 0.591 20 0 FCADLP O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000332774404 489228924 /nfs/dbraw/zinc/22/89/24/489228924.db2.gz IHEGYXIKBZHBLP-KURKYZTESA-N 2 2 351.491 0.591 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000369365113 489230298 /nfs/dbraw/zinc/23/02/98/489230298.db2.gz XYBQRGRUMMQPOI-INIZCTEOSA-N 2 2 373.505 0.477 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000369365113 489230299 /nfs/dbraw/zinc/23/02/99/489230299.db2.gz XYBQRGRUMMQPOI-INIZCTEOSA-N 2 2 373.505 0.477 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233785 489231251 /nfs/dbraw/zinc/23/12/51/489231251.db2.gz CEZJBXAMUCQZHB-ZBFHGGJFSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233785 489231252 /nfs/dbraw/zinc/23/12/52/489231252.db2.gz CEZJBXAMUCQZHB-ZBFHGGJFSA-N 2 2 355.442 0.893 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000332792140 489231540 /nfs/dbraw/zinc/23/15/40/489231540.db2.gz MRHQTHKWYIFSNQ-KZNAEPCWSA-N 2 2 368.522 0.584 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000297750559 489234691 /nfs/dbraw/zinc/23/46/91/489234691.db2.gz LMDWVGHUGSNVSF-HNNXBMFYSA-N 2 2 365.478 0.035 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000297750559 489234694 /nfs/dbraw/zinc/23/46/94/489234694.db2.gz LMDWVGHUGSNVSF-HNNXBMFYSA-N 2 2 365.478 0.035 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283266647 489235193 /nfs/dbraw/zinc/23/51/93/489235193.db2.gz AJGPZNSGAIAHSM-OAHLLOKOSA-N 2 2 357.458 0.520 20 0 FCADLP COCCOC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369438643 489237196 /nfs/dbraw/zinc/23/71/96/489237196.db2.gz ZNURAQFXXROPAB-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP COCCOC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369438643 489237200 /nfs/dbraw/zinc/23/72/00/489237200.db2.gz ZNURAQFXXROPAB-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332869587 489240439 /nfs/dbraw/zinc/24/04/39/489240439.db2.gz VILNHBWNOSQZEO-YHUYYLMFSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332869587 489240440 /nfs/dbraw/zinc/24/04/40/489240440.db2.gz VILNHBWNOSQZEO-YHUYYLMFSA-N 2 2 354.495 0.599 20 0 FCADLP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000283309787 489242529 /nfs/dbraw/zinc/24/25/29/489242529.db2.gz PZRFLJLBWULTTP-UHFFFAOYSA-N 2 2 373.457 0.646 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478799 489242619 /nfs/dbraw/zinc/24/26/19/489242619.db2.gz NGTGPDQBQQROAB-NVXWUHKLSA-N 2 2 372.535 0.214 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478799 489242623 /nfs/dbraw/zinc/24/26/23/489242623.db2.gz NGTGPDQBQQROAB-NVXWUHKLSA-N 2 2 372.535 0.214 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478798 489242685 /nfs/dbraw/zinc/24/26/85/489242685.db2.gz NGTGPDQBQQROAB-DOTOQJQBSA-N 2 2 372.535 0.214 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478798 489242688 /nfs/dbraw/zinc/24/26/88/489242688.db2.gz NGTGPDQBQQROAB-DOTOQJQBSA-N 2 2 372.535 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000369490066 489244878 /nfs/dbraw/zinc/24/48/78/489244878.db2.gz MTFGUOCKKBCHNT-XDNAFOTISA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000369490066 489244880 /nfs/dbraw/zinc/24/48/80/489244880.db2.gz MTFGUOCKKBCHNT-XDNAFOTISA-N 2 2 368.522 0.726 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@H](c2ccccc2)C1 ZINC000297823412 489246759 /nfs/dbraw/zinc/24/67/59/489246759.db2.gz LSTKVSIAJJTICI-OALUTQOASA-N 2 2 368.481 0.974 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)[C@H](c2ccccc2)C1 ZINC000297823412 489246761 /nfs/dbraw/zinc/24/67/61/489246761.db2.gz LSTKVSIAJJTICI-OALUTQOASA-N 2 2 368.481 0.974 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283364467 489250061 /nfs/dbraw/zinc/25/00/61/489250061.db2.gz IAOHWQDXJXBHIE-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283364467 489250063 /nfs/dbraw/zinc/25/00/63/489250063.db2.gz IAOHWQDXJXBHIE-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CCN1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332966769 489252189 /nfs/dbraw/zinc/25/21/89/489252189.db2.gz ZCHONJHIXNSGFE-JKSUJKDBSA-N 2 2 363.510 0.434 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000332978818 489252945 /nfs/dbraw/zinc/25/29/45/489252945.db2.gz SRJGSVRNEHZTKT-CVEARBPZSA-N 2 2 352.479 0.356 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@H]21 ZINC000332978818 489252949 /nfs/dbraw/zinc/25/29/49/489252949.db2.gz SRJGSVRNEHZTKT-CVEARBPZSA-N 2 2 352.479 0.356 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283393779 489253753 /nfs/dbraw/zinc/25/37/53/489253753.db2.gz JRNSMGUUCKLIPF-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283393779 489253755 /nfs/dbraw/zinc/25/37/55/489253755.db2.gz JRNSMGUUCKLIPF-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000333035643 489256851 /nfs/dbraw/zinc/25/68/51/489256851.db2.gz NIMUYLZQGMXCBA-KGLIPLIRSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000333035643 489256854 /nfs/dbraw/zinc/25/68/54/489256854.db2.gz NIMUYLZQGMXCBA-KGLIPLIRSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)[C@H]1CCSC1 ZINC000333035643 489256857 /nfs/dbraw/zinc/25/68/57/489256857.db2.gz NIMUYLZQGMXCBA-KGLIPLIRSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)[C@H]1CCSC1 ZINC000333035643 489256861 /nfs/dbraw/zinc/25/68/61/489256861.db2.gz NIMUYLZQGMXCBA-KGLIPLIRSA-N 2 2 364.519 0.529 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000283511778 489268227 /nfs/dbraw/zinc/26/82/27/489268227.db2.gz IFOMEILBWFRFOX-CVEARBPZSA-N 2 2 363.462 0.131 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(c2ccncn2)CC1)[NH+]1CCOCC1 ZINC000298062480 489284785 /nfs/dbraw/zinc/28/47/85/489284785.db2.gz GKNFZFZZHRWTPT-UHFFFAOYSA-N 2 2 361.490 0.883 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283702386 489292848 /nfs/dbraw/zinc/29/28/48/489292848.db2.gz ZAQJTFAKZAZNHY-OAHLLOKOSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283702386 489292851 /nfs/dbraw/zinc/29/28/51/489292851.db2.gz ZAQJTFAKZAZNHY-OAHLLOKOSA-N 2 2 363.462 0.101 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284258965 489307622 /nfs/dbraw/zinc/30/76/22/489307622.db2.gz GVLGSUXMHLXEHX-UHFFFAOYSA-N 2 2 357.458 0.793 20 0 FCADLP C[NH+]1CCC(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000370056295 489311029 /nfs/dbraw/zinc/31/10/29/489311029.db2.gz FGAROPPHLXZEKR-UHFFFAOYSA-N 2 2 350.467 0.679 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000298291228 489312797 /nfs/dbraw/zinc/31/27/97/489312797.db2.gz CUEXNQXSSNIKSF-UHFFFAOYSA-N 2 2 360.462 0.124 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075981 489313649 /nfs/dbraw/zinc/31/36/49/489313649.db2.gz CUWUBCXMYRUHFK-IAGOWNOFSA-N 3 2 353.511 0.175 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075981 489313651 /nfs/dbraw/zinc/31/36/51/489313651.db2.gz CUWUBCXMYRUHFK-IAGOWNOFSA-N 3 2 353.511 0.175 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000570529631 491247778 /nfs/dbraw/zinc/24/77/78/491247778.db2.gz XDLLZAHLWCRMIE-LSDHHAIUSA-N 2 2 354.414 0.863 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000285939704 489336072 /nfs/dbraw/zinc/33/60/72/489336072.db2.gz PGKWDMIYWCNBDW-MRXNPFEDSA-N 2 2 365.478 0.267 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000285939704 489336075 /nfs/dbraw/zinc/33/60/75/489336075.db2.gz PGKWDMIYWCNBDW-MRXNPFEDSA-N 2 2 365.478 0.267 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000298565252 489337833 /nfs/dbraw/zinc/33/78/33/489337833.db2.gz YOXMRGQHHOXLAG-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618331 489345356 /nfs/dbraw/zinc/34/53/56/489345356.db2.gz LGLIZRVJYZZTEH-IRXDYDNUSA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618331 489345358 /nfs/dbraw/zinc/34/53/58/489345358.db2.gz LGLIZRVJYZZTEH-IRXDYDNUSA-N 2 2 371.485 0.673 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2noc(C[N@H+](C)[C@H]3CCSC3)n2)CC1 ZINC000350712658 489346148 /nfs/dbraw/zinc/34/61/48/489346148.db2.gz AVMYLSBIHSEDAC-ZDUSSCGKSA-N 2 2 353.492 0.714 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2noc(C[N@@H+](C)[C@H]3CCSC3)n2)CC1 ZINC000350712658 489346149 /nfs/dbraw/zinc/34/61/49/489346149.db2.gz AVMYLSBIHSEDAC-ZDUSSCGKSA-N 2 2 353.492 0.714 20 0 FCADLP CC[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000298670796 489351449 /nfs/dbraw/zinc/35/14/49/489351449.db2.gz ONISGNQLBARIPJ-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298881193 489377512 /nfs/dbraw/zinc/37/75/12/489377512.db2.gz KDDMDTSIKCZZBV-AWEZNQCLSA-N 2 2 371.441 0.985 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298881193 489377514 /nfs/dbraw/zinc/37/75/14/489377514.db2.gz KDDMDTSIKCZZBV-AWEZNQCLSA-N 2 2 371.441 0.985 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000286305352 489378047 /nfs/dbraw/zinc/37/80/47/489378047.db2.gz XQKYZOKDOHSXLZ-QGZVFWFLSA-N 2 2 362.474 0.630 20 0 FCADLP CC(C)([NH3+])c1nocc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000570581264 491251113 /nfs/dbraw/zinc/25/11/13/491251113.db2.gz MIAWHRRRFDLECD-MRXNPFEDSA-N 2 2 354.476 0.806 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370603019 489380826 /nfs/dbraw/zinc/38/08/26/489380826.db2.gz ISYNSBLZHDSYDD-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000362292911 489381817 /nfs/dbraw/zinc/38/18/17/489381817.db2.gz GAJVIAHZEHUSQF-INIZCTEOSA-N 2 2 354.495 0.997 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000362394470 489385308 /nfs/dbraw/zinc/38/53/08/489385308.db2.gz DKLJKHYSNMKCAF-HZMVEIRTSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[NH+]1CCSCC1 ZINC000362783164 489397635 /nfs/dbraw/zinc/39/76/35/489397635.db2.gz YVZHNBKPCVNCCJ-GOEBONIOSA-N 2 2 359.561 0.748 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000370767044 489399034 /nfs/dbraw/zinc/39/90/34/489399034.db2.gz QSOGTOYTCQQCHZ-INIZCTEOSA-N 2 2 370.497 0.638 20 0 FCADLP C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000362838392 489400419 /nfs/dbraw/zinc/40/04/19/489400419.db2.gz HZQRSAKVPGCIQC-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000362838392 489400421 /nfs/dbraw/zinc/40/04/21/489400421.db2.gz HZQRSAKVPGCIQC-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1CCSCC1 ZINC000563544023 491253888 /nfs/dbraw/zinc/25/38/88/491253888.db2.gz ZDJBRWRZHHJTFK-UHFFFAOYSA-N 2 2 370.563 0.730 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1CCSCC1 ZINC000563544023 491253889 /nfs/dbraw/zinc/25/38/89/491253889.db2.gz ZDJBRWRZHHJTFK-UHFFFAOYSA-N 2 2 370.563 0.730 20 0 FCADLP CCOC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000370896035 489424989 /nfs/dbraw/zinc/42/49/89/489424989.db2.gz VSNPZGNAIBDWAR-MRXNPFEDSA-N 2 2 368.478 0.130 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363218320 489439801 /nfs/dbraw/zinc/43/98/01/489439801.db2.gz HPNXHSAALAMMQJ-CABCVRRESA-N 2 2 353.511 0.711 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218320 489439803 /nfs/dbraw/zinc/43/98/03/489439803.db2.gz HPNXHSAALAMMQJ-CABCVRRESA-N 2 2 353.511 0.711 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363226594 489441627 /nfs/dbraw/zinc/44/16/27/489441627.db2.gz XQYYKALMQDQIDO-OAHLLOKOSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363226594 489441629 /nfs/dbraw/zinc/44/16/29/489441629.db2.gz XQYYKALMQDQIDO-OAHLLOKOSA-N 2 2 360.458 0.918 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363269640 489446764 /nfs/dbraw/zinc/44/67/64/489446764.db2.gz JNFKMBVNTUDGEZ-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP COc1cc2[nH+]c(N3CC[NH+]([C@H]4CCOC4)CC3)nc(N)c2cc1OC ZINC000371107129 489452488 /nfs/dbraw/zinc/45/24/88/489452488.db2.gz MZZGJGUJUTYBJR-LBPRGKRZSA-N 2 2 359.430 1.140 20 0 FCADLP CS(=O)(=O)CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299551945 489454968 /nfs/dbraw/zinc/45/49/68/489454968.db2.gz LNSFRBQQFVCLSR-UHFFFAOYSA-N 2 2 354.476 0.145 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000563561872 491255470 /nfs/dbraw/zinc/25/54/70/491255470.db2.gz CDXMTOSIWHFKRY-HDICACEKSA-N 2 2 374.485 0.758 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000287217042 489470279 /nfs/dbraw/zinc/47/02/79/489470279.db2.gz VCEXYLAQFLGBKV-INIZCTEOSA-N 2 2 361.490 0.754 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC4(C3)OCCO4)C2)CC1 ZINC000371313024 489476455 /nfs/dbraw/zinc/47/64/55/489476455.db2.gz JEQQCEHPICULDY-OAHLLOKOSA-N 2 2 352.479 0.703 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC4(C3)OCCO4)C2)CC1 ZINC000371313024 489476458 /nfs/dbraw/zinc/47/64/58/489476458.db2.gz JEQQCEHPICULDY-OAHLLOKOSA-N 2 2 352.479 0.703 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000371322415 489477322 /nfs/dbraw/zinc/47/73/22/489477322.db2.gz ZFFKTQVESAAJDW-WMZOPIPTSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000371322415 489477325 /nfs/dbraw/zinc/47/73/25/489477325.db2.gz ZFFKTQVESAAJDW-WMZOPIPTSA-N 2 2 365.449 0.980 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000287321946 489477774 /nfs/dbraw/zinc/47/77/74/489477774.db2.gz MFMAOZNLKDPJOI-NVXWUHKLSA-N 2 2 362.474 0.957 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000371341993 489478908 /nfs/dbraw/zinc/47/89/08/489478908.db2.gz TVQFNJWFRYABIT-UHFFFAOYSA-N 2 2 362.526 0.510 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCC[NH2+]C2)cn1 ZINC000563595953 491256868 /nfs/dbraw/zinc/25/68/68/491256868.db2.gz AEHNZTRNXGHDCV-KBMXLJTQSA-N 2 2 352.458 0.631 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCC[NH2+]C2)cn1 ZINC000563595953 491256869 /nfs/dbraw/zinc/25/68/69/491256869.db2.gz AEHNZTRNXGHDCV-KBMXLJTQSA-N 2 2 352.458 0.631 20 0 FCADLP CN(C)C(=O)C1([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCCC1 ZINC000451405036 489503272 /nfs/dbraw/zinc/50/32/72/489503272.db2.gz OOQXTIOUVQJFJN-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP CCOC(=O)COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526635 489508568 /nfs/dbraw/zinc/50/85/68/489508568.db2.gz IMJAOHQUPBDAJY-SFHVURJKSA-N 2 2 369.506 0.832 20 0 FCADLP CCOC(=O)COCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526635 489508571 /nfs/dbraw/zinc/50/85/71/489508571.db2.gz IMJAOHQUPBDAJY-SFHVURJKSA-N 2 2 369.506 0.832 20 0 FCADLP CCOC(=O)COCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526635 489508573 /nfs/dbraw/zinc/50/85/73/489508573.db2.gz IMJAOHQUPBDAJY-SFHVURJKSA-N 2 2 369.506 0.832 20 0 FCADLP CCOC(=O)COCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526635 489508575 /nfs/dbraw/zinc/50/85/75/489508575.db2.gz IMJAOHQUPBDAJY-SFHVURJKSA-N 2 2 369.506 0.832 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415128262 489512383 /nfs/dbraw/zinc/51/23/83/489512383.db2.gz SSPQNYZGEODJLH-OAHLLOKOSA-N 3 2 362.478 0.477 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415128262 489512385 /nfs/dbraw/zinc/51/23/85/489512385.db2.gz SSPQNYZGEODJLH-OAHLLOKOSA-N 3 2 362.478 0.477 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000415442909 489521969 /nfs/dbraw/zinc/52/19/69/489521969.db2.gz SYAYAFVIGLDNGJ-LSDHHAIUSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000415571198 489531797 /nfs/dbraw/zinc/53/17/97/489531797.db2.gz TWVDLGYZLBYVSY-HUUCEWRRSA-N 2 2 360.458 0.666 20 0 FCADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000372028798 489538109 /nfs/dbraw/zinc/53/81/09/489538109.db2.gz RXPGWMFPOHVNBL-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415641408 489538952 /nfs/dbraw/zinc/53/89/52/489538952.db2.gz GBQCSWMPYISCLZ-JKSUJKDBSA-N 2 2 360.458 0.843 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415644551 489539461 /nfs/dbraw/zinc/53/94/61/489539461.db2.gz KYLDQFHBSPLYHW-WMZOPIPTSA-N 2 2 373.501 0.759 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000425889693 489541891 /nfs/dbraw/zinc/54/18/91/489541891.db2.gz QOVMTWQUAZYWPM-UHFFFAOYSA-N 2 2 373.457 0.520 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638089 491261642 /nfs/dbraw/zinc/26/16/42/491261642.db2.gz XQHYHAJANCNWEA-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638089 491261644 /nfs/dbraw/zinc/26/16/44/491261644.db2.gz XQHYHAJANCNWEA-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000555638089 491261646 /nfs/dbraw/zinc/26/16/46/491261646.db2.gz XQHYHAJANCNWEA-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000555638089 491261648 /nfs/dbraw/zinc/26/16/48/491261648.db2.gz XQHYHAJANCNWEA-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949485 489550431 /nfs/dbraw/zinc/55/04/31/489550431.db2.gz IJVTTXOWKVMLOI-GOSISDBHSA-N 2 2 369.531 0.837 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949485 489550434 /nfs/dbraw/zinc/55/04/34/489550434.db2.gz IJVTTXOWKVMLOI-GOSISDBHSA-N 2 2 369.531 0.837 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425949485 489550436 /nfs/dbraw/zinc/55/04/36/489550436.db2.gz IJVTTXOWKVMLOI-GOSISDBHSA-N 2 2 369.531 0.837 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425949485 489550438 /nfs/dbraw/zinc/55/04/38/489550438.db2.gz IJVTTXOWKVMLOI-GOSISDBHSA-N 2 2 369.531 0.837 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000426029382 489553738 /nfs/dbraw/zinc/55/37/38/489553738.db2.gz KFGSQPAFQLHGNQ-LSDHHAIUSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCCC[C@@H]1C ZINC000426029382 489553739 /nfs/dbraw/zinc/55/37/39/489553739.db2.gz KFGSQPAFQLHGNQ-LSDHHAIUSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000426207487 489559374 /nfs/dbraw/zinc/55/93/74/489559374.db2.gz WEGDSHJYIBYGHO-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000426207487 489559376 /nfs/dbraw/zinc/55/93/76/489559376.db2.gz WEGDSHJYIBYGHO-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]1CCO)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000426227701 489560006 /nfs/dbraw/zinc/56/00/06/489560006.db2.gz NJRKXGPSHBZWTJ-QGZVFWFLSA-N 2 2 353.507 0.985 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+]1CCCCC1 ZINC000426247255 489560453 /nfs/dbraw/zinc/56/04/53/489560453.db2.gz ACTMRNJXSGSSHU-UHFFFAOYSA-N 2 2 353.511 0.842 20 0 FCADLP CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224658 489560897 /nfs/dbraw/zinc/56/08/97/489560897.db2.gz ZUBPZPMSQTWVPY-LSDHHAIUSA-N 2 2 367.494 0.685 20 0 FCADLP CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224658 489560900 /nfs/dbraw/zinc/56/09/00/489560900.db2.gz ZUBPZPMSQTWVPY-LSDHHAIUSA-N 2 2 367.494 0.685 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000555667621 491264074 /nfs/dbraw/zinc/26/40/74/491264074.db2.gz WOZNEMBOHDVOLE-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000555667621 491264075 /nfs/dbraw/zinc/26/40/75/491264075.db2.gz WOZNEMBOHDVOLE-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555666788 491264111 /nfs/dbraw/zinc/26/41/11/491264111.db2.gz QYCNRCUZFALNPW-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000427282905 489600718 /nfs/dbraw/zinc/60/07/18/489600718.db2.gz WDQZJLXHSCZDNL-INIZCTEOSA-N 2 2 374.485 0.569 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](N3CCNC3=O)C2)CC1 ZINC000372574890 489602308 /nfs/dbraw/zinc/60/23/08/489602308.db2.gz WSLJJFNZYBOPNR-MRXNPFEDSA-N 2 2 366.510 0.212 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)[NH+]1CCOCC1 ZINC000372575087 489602344 /nfs/dbraw/zinc/60/23/44/489602344.db2.gz VUQZHCKKYJPBJZ-YYAJDYIMSA-N 2 2 353.507 0.992 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219151 489611759 /nfs/dbraw/zinc/61/17/59/489611759.db2.gz UNAAQWLJUYEQGO-HDICACEKSA-N 2 2 373.501 0.573 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219151 489611763 /nfs/dbraw/zinc/61/17/63/489611763.db2.gz UNAAQWLJUYEQGO-HDICACEKSA-N 2 2 373.501 0.573 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000372743226 489632127 /nfs/dbraw/zinc/63/21/27/489632127.db2.gz QVIULKBJCBITLW-ZIAGYGMSSA-N 2 2 354.476 0.023 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417068263 489640590 /nfs/dbraw/zinc/64/05/90/489640590.db2.gz DWFJSNGPCICZLB-INIZCTEOSA-N 2 2 374.489 0.737 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417150212 489643956 /nfs/dbraw/zinc/64/39/56/489643956.db2.gz FBHSJKVBWJOTFE-MRXNPFEDSA-N 2 2 363.510 0.613 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417169522 489644061 /nfs/dbraw/zinc/64/40/61/489644061.db2.gz BOPHQGKMAXOVMH-ZWKOTPCHSA-N 2 2 362.474 0.737 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@@H]1C[NH3+] ZINC000417256661 489645642 /nfs/dbraw/zinc/64/56/42/489645642.db2.gz GRXFWZHHFAPHRV-HLLBOEOZSA-N 2 2 356.536 0.821 20 0 FCADLP COC[C@@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]1 ZINC000417273830 489646269 /nfs/dbraw/zinc/64/62/69/489646269.db2.gz TUUUBGXFPARFSJ-IRXDYDNUSA-N 2 2 372.535 0.262 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@H]1CCC[NH2+]C1 ZINC000417299929 489646903 /nfs/dbraw/zinc/64/69/03/489646903.db2.gz SKBSKEFVTKVPOB-KRWDZBQOSA-N 2 2 362.474 0.949 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000417319098 489648000 /nfs/dbraw/zinc/64/80/00/489648000.db2.gz NAZYMHFUUAYTRR-KRWDZBQOSA-N 2 2 362.474 0.949 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417366868 489649810 /nfs/dbraw/zinc/64/98/10/489649810.db2.gz LLCXQKNKWMGZGC-MRXNPFEDSA-N 2 2 374.489 0.514 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000570921396 491273233 /nfs/dbraw/zinc/27/32/33/491273233.db2.gz ZNJPQDAPEUWDBS-CGHHPOIWSA-N 2 2 355.523 0.424 20 0 FCADLP C[NH2+]CCN(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417630756 489660371 /nfs/dbraw/zinc/66/03/71/489660371.db2.gz RIBSMZIXSJFMMV-UHFFFAOYSA-N 2 2 353.511 0.572 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N(CC[NH3+])CCO)CC2 ZINC000417667509 489660761 /nfs/dbraw/zinc/66/07/61/489660761.db2.gz IOYTZIBUEBFWKS-UHFFFAOYSA-N 2 2 366.462 0.025 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N(CC[NH3+])CCO)CC2 ZINC000417667509 489660762 /nfs/dbraw/zinc/66/07/62/489660762.db2.gz IOYTZIBUEBFWKS-UHFFFAOYSA-N 2 2 366.462 0.025 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062131 489665550 /nfs/dbraw/zinc/66/55/50/489665550.db2.gz AJVRLOODIDOYBF-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062131 489665552 /nfs/dbraw/zinc/66/55/52/489665552.db2.gz AJVRLOODIDOYBF-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062129 489665692 /nfs/dbraw/zinc/66/56/92/489665692.db2.gz AJVRLOODIDOYBF-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062129 489665694 /nfs/dbraw/zinc/66/56/94/489665694.db2.gz AJVRLOODIDOYBF-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP COC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000428988585 489669614 /nfs/dbraw/zinc/66/96/14/489669614.db2.gz BKPMZFCVFPWQTH-ULQDDVLXSA-N 2 2 362.474 0.902 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570872051 491270616 /nfs/dbraw/zinc/27/06/16/491270616.db2.gz TWKNIGWZROHRPG-HNNXBMFYSA-N 2 2 353.426 0.841 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000570872051 491270619 /nfs/dbraw/zinc/27/06/19/491270619.db2.gz TWKNIGWZROHRPG-HNNXBMFYSA-N 2 2 353.426 0.841 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000418082503 489677877 /nfs/dbraw/zinc/67/78/77/489677877.db2.gz JHQZHGCRWMPJJL-AVAKVYKDSA-N 2 2 368.522 0.945 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224497 489680239 /nfs/dbraw/zinc/68/02/39/489680239.db2.gz VDXOTSQPHCUFKQ-FGTMMUONSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224497 489680243 /nfs/dbraw/zinc/68/02/43/489680243.db2.gz VDXOTSQPHCUFKQ-FGTMMUONSA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224497 489680245 /nfs/dbraw/zinc/68/02/45/489680245.db2.gz VDXOTSQPHCUFKQ-FGTMMUONSA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224497 489680248 /nfs/dbraw/zinc/68/02/48/489680248.db2.gz VDXOTSQPHCUFKQ-FGTMMUONSA-N 2 2 352.523 0.724 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418388988 489695752 /nfs/dbraw/zinc/69/57/52/489695752.db2.gz SWJPFPGSAIHQEE-YOEHRIQHSA-N 2 2 365.522 0.888 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418407871 489696289 /nfs/dbraw/zinc/69/62/89/489696289.db2.gz MFMRMAFMUNXBSV-CVEARBPZSA-N 2 2 353.511 0.700 20 0 FCADLP CCc1nsc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000429685583 489697127 /nfs/dbraw/zinc/69/71/27/489697127.db2.gz PEQAXIFPQAGSBH-UHFFFAOYSA-N 2 2 352.508 0.387 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418431017 489698304 /nfs/dbraw/zinc/69/83/04/489698304.db2.gz VYRUZKFLVPSIEP-OAHLLOKOSA-N 2 2 353.511 0.842 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCNC(=O)C1CC1 ZINC000429762653 489700845 /nfs/dbraw/zinc/70/08/45/489700845.db2.gz WUNVHNYSZFJMGB-KRWDZBQOSA-N 2 2 355.442 0.444 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418478026 489701169 /nfs/dbraw/zinc/70/11/69/489701169.db2.gz YSCYFNBRAZUBML-JKSUJKDBSA-N 2 2 353.511 0.842 20 0 FCADLP COCC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000418508421 489703146 /nfs/dbraw/zinc/70/31/46/489703146.db2.gz MLUIKWVOEIMWKR-UHFFFAOYSA-N 2 2 368.453 0.898 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000489356860 489707361 /nfs/dbraw/zinc/70/73/61/489707361.db2.gz LDIUMFHVKDXKAK-YKCBXCCJSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000489356860 489707363 /nfs/dbraw/zinc/70/73/63/489707363.db2.gz LDIUMFHVKDXKAK-YKCBXCCJSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418594784 489708775 /nfs/dbraw/zinc/70/87/75/489708775.db2.gz NNOJHWVZYHYCTO-BBRMVZONSA-N 2 2 351.495 0.498 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCC2=CC[NH2+]CC2)cn1 ZINC000418638386 489714529 /nfs/dbraw/zinc/71/45/29/489714529.db2.gz KSPRURVJRUUXSV-IRXDYDNUSA-N 2 2 364.469 0.942 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCC2=CC[NH2+]CC2)cn1 ZINC000418638386 489714534 /nfs/dbraw/zinc/71/45/34/489714534.db2.gz KSPRURVJRUUXSV-IRXDYDNUSA-N 2 2 364.469 0.942 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000459193312 489722063 /nfs/dbraw/zinc/72/20/63/489722063.db2.gz ZZPKWSSIGWZEFT-ZWKOTPCHSA-N 2 2 357.458 0.897 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000459193312 489722065 /nfs/dbraw/zinc/72/20/65/489722065.db2.gz ZZPKWSSIGWZEFT-ZWKOTPCHSA-N 2 2 357.458 0.897 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489769118 489726944 /nfs/dbraw/zinc/72/69/44/489726944.db2.gz OKFBFHMZLUKUNZ-YOEHRIQHSA-N 2 2 359.474 0.353 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430257185 489727191 /nfs/dbraw/zinc/72/71/91/489727191.db2.gz MQSQNPUTCRTLQU-GOSISDBHSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430257185 489727195 /nfs/dbraw/zinc/72/71/95/489727195.db2.gz MQSQNPUTCRTLQU-GOSISDBHSA-N 2 2 364.515 0.850 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC1 ZINC000418799420 489730608 /nfs/dbraw/zinc/73/06/08/489730608.db2.gz HXMCRNPRBHWNNI-KRWDZBQOSA-N 2 2 374.485 0.044 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489938050 489736453 /nfs/dbraw/zinc/73/64/53/489736453.db2.gz VXUCRIAZHUYFOH-UYAOXDASSA-N 2 2 371.529 0.703 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCN1CCc2ccccc21 ZINC000489944538 489737005 /nfs/dbraw/zinc/73/70/05/489737005.db2.gz YMABCDFUEMGCIH-SFHVURJKSA-N 2 2 357.502 0.145 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489959963 489737785 /nfs/dbraw/zinc/73/77/85/489737785.db2.gz WTZJHDQWRZOPPP-GOEBONIOSA-N 2 2 360.458 0.764 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000555822828 491275536 /nfs/dbraw/zinc/27/55/36/491275536.db2.gz CZSSOODESBISTC-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000555822828 491275538 /nfs/dbraw/zinc/27/55/38/491275538.db2.gz CZSSOODESBISTC-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000418829384 489743787 /nfs/dbraw/zinc/74/37/87/489743787.db2.gz IQRRNEJMLLYNIJ-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000418829384 489743791 /nfs/dbraw/zinc/74/37/91/489743791.db2.gz IQRRNEJMLLYNIJ-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)n1 ZINC000563895991 491276059 /nfs/dbraw/zinc/27/60/59/491276059.db2.gz BMCFUADSSFPDCH-INIZCTEOSA-N 2 2 365.478 0.008 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000418832690 489745683 /nfs/dbraw/zinc/74/56/83/489745683.db2.gz MGUUFKQAUUVAMF-MRXNPFEDSA-N 2 2 360.458 0.001 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000418832690 489745686 /nfs/dbraw/zinc/74/56/86/489745686.db2.gz MGUUFKQAUUVAMF-MRXNPFEDSA-N 2 2 360.458 0.001 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430552794 489746194 /nfs/dbraw/zinc/74/61/94/489746194.db2.gz BTRUXFKMZITCLK-NWDGAFQWSA-N 2 2 370.475 0.340 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430552794 489746198 /nfs/dbraw/zinc/74/61/98/489746198.db2.gz BTRUXFKMZITCLK-NWDGAFQWSA-N 2 2 370.475 0.340 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568555 489747416 /nfs/dbraw/zinc/74/74/16/489747416.db2.gz CYAPBXXELVSXQK-WFASDCNBSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568555 489747420 /nfs/dbraw/zinc/74/74/20/489747420.db2.gz CYAPBXXELVSXQK-WFASDCNBSA-N 2 2 356.492 0.966 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430576982 489748190 /nfs/dbraw/zinc/74/81/90/489748190.db2.gz NKRNNHCQNDDBCC-CABCVRRESA-N 2 2 362.474 0.963 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430576982 489748193 /nfs/dbraw/zinc/74/81/93/489748193.db2.gz NKRNNHCQNDDBCC-CABCVRRESA-N 2 2 362.474 0.963 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000430579418 489748406 /nfs/dbraw/zinc/74/84/06/489748406.db2.gz GHAQBPDOXPITMW-CQSZACIVSA-N 2 2 362.883 0.889 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)ccc1C ZINC000430583508 489748597 /nfs/dbraw/zinc/74/85/97/489748597.db2.gz MQZYIXMTLVIMKM-MRXNPFEDSA-N 2 2 354.476 0.559 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430592815 489749278 /nfs/dbraw/zinc/74/92/78/489749278.db2.gz IAANHDZCXAUQRV-PIGZYNQJSA-N 2 2 366.487 0.329 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000430594296 489749311 /nfs/dbraw/zinc/74/93/11/489749311.db2.gz VFTXPHJWGXHUOY-INIZCTEOSA-N 2 2 354.476 0.186 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430588989 489749381 /nfs/dbraw/zinc/74/93/81/489749381.db2.gz GQFQZVPDWDYXAP-QGZVFWFLSA-N 2 2 352.504 0.930 20 0 FCADLP Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602142 489750489 /nfs/dbraw/zinc/75/04/89/489750489.db2.gz GKGWRPURGACZBS-ZDUSSCGKSA-N 2 2 351.476 0.534 20 0 FCADLP Cc1csc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602142 489750494 /nfs/dbraw/zinc/75/04/94/489750494.db2.gz GKGWRPURGACZBS-ZDUSSCGKSA-N 2 2 351.476 0.534 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430600751 489750797 /nfs/dbraw/zinc/75/07/97/489750797.db2.gz YJDSELWXUATCJH-NVXWUHKLSA-N 2 2 359.536 0.908 20 0 FCADLP C[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430603734 489750945 /nfs/dbraw/zinc/75/09/45/489750945.db2.gz LBDSBAHJVHUTSD-UHFFFAOYSA-N 2 2 368.865 0.199 20 0 FCADLP C[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430603734 489750948 /nfs/dbraw/zinc/75/09/48/489750948.db2.gz LBDSBAHJVHUTSD-UHFFFAOYSA-N 2 2 368.865 0.199 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000418842171 489752469 /nfs/dbraw/zinc/75/24/69/489752469.db2.gz HKOOPIJCZQZQDW-LLVKDONJSA-N 2 2 360.430 0.711 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)cn2c1 ZINC000418844166 489752516 /nfs/dbraw/zinc/75/25/16/489752516.db2.gz JOUOJPIGUHEETK-JSGCOSHPSA-N 2 2 359.430 0.488 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000459808759 489755299 /nfs/dbraw/zinc/75/52/99/489755299.db2.gz HUZYGPQHNZFKGG-UHFFFAOYSA-N 2 2 364.515 0.599 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC([NH3+])CC1 ZINC000430626729 489758201 /nfs/dbraw/zinc/75/82/01/489758201.db2.gz SCJZEFFJSOBGLS-SECBINFHSA-N 2 2 358.364 0.970 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555855107 491277120 /nfs/dbraw/zinc/27/71/20/491277120.db2.gz OYSPSCVRJQKEHB-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430637729 489760120 /nfs/dbraw/zinc/76/01/20/489760120.db2.gz BQOAEPARDDMCSN-CYBMUJFWSA-N 2 2 368.428 0.848 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430637729 489760124 /nfs/dbraw/zinc/76/01/24/489760124.db2.gz BQOAEPARDDMCSN-CYBMUJFWSA-N 2 2 368.428 0.848 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655562 489763873 /nfs/dbraw/zinc/76/38/73/489763873.db2.gz RULZOZDHBCZBNJ-CHWSQXEVSA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655562 489763879 /nfs/dbraw/zinc/76/38/79/489763879.db2.gz RULZOZDHBCZBNJ-CHWSQXEVSA-N 2 2 354.476 0.592 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)c1 ZINC000418865358 489764720 /nfs/dbraw/zinc/76/47/20/489764720.db2.gz ROGPRACGTWTNLH-CYBMUJFWSA-N 2 2 358.389 0.124 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706397 489765862 /nfs/dbraw/zinc/76/58/62/489765862.db2.gz USVSZDMDAZRDMV-NXOAAHMSSA-N 2 2 368.522 0.483 20 0 FCADLP C[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]([NH3+])c1ccccc1 ZINC000430728911 489767436 /nfs/dbraw/zinc/76/74/36/489767436.db2.gz DLVNAXOPEBBEBT-QAPCUYQASA-N 2 2 357.458 1.490 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000418873201 489769102 /nfs/dbraw/zinc/76/91/02/489769102.db2.gz HVLKNHJKTRJGIQ-SWLSCSKDSA-N 2 2 352.866 0.879 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418874606 489769385 /nfs/dbraw/zinc/76/93/85/489769385.db2.gz JIIXLMCLAGSOAW-IUODEOHRSA-N 2 2 368.865 0.164 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]1 ZINC000418882222 489773036 /nfs/dbraw/zinc/77/30/36/489773036.db2.gz YLBFKBODLDQEET-DOMZBBRYSA-N 2 2 352.866 0.879 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376677710 489774418 /nfs/dbraw/zinc/77/44/18/489774418.db2.gz DFHGHGVOZRBWKE-HUUCEWRRSA-N 2 2 359.474 0.852 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418891503 489777241 /nfs/dbraw/zinc/77/72/41/489777241.db2.gz ULRXBWDJHCGLCG-HNNXBMFYSA-N 2 2 357.458 0.967 20 0 FCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430920143 489777477 /nfs/dbraw/zinc/77/74/77/489777477.db2.gz TVTKGSLJTYBROG-CQSZACIVSA-N 2 2 366.487 0.690 20 0 FCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430920143 489777484 /nfs/dbraw/zinc/77/74/84/489777484.db2.gz TVTKGSLJTYBROG-CQSZACIVSA-N 2 2 366.487 0.690 20 0 FCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000430927954 489778297 /nfs/dbraw/zinc/77/82/97/489778297.db2.gz JYFSCHBBAZGXII-LLVKDONJSA-N 2 2 359.409 0.898 20 0 FCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000430927954 489778302 /nfs/dbraw/zinc/77/83/02/489778302.db2.gz JYFSCHBBAZGXII-LLVKDONJSA-N 2 2 359.409 0.898 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430951635 489780670 /nfs/dbraw/zinc/78/06/70/489780670.db2.gz MPDMJPNDELUUKS-ZDUSSCGKSA-N 2 2 354.476 0.464 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430951635 489780672 /nfs/dbraw/zinc/78/06/72/489780672.db2.gz MPDMJPNDELUUKS-ZDUSSCGKSA-N 2 2 354.476 0.464 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430946678 489781131 /nfs/dbraw/zinc/78/11/31/489781131.db2.gz BKYJOEAJVBBIEL-YJBOKZPZSA-N 2 2 374.485 0.444 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430946678 489781136 /nfs/dbraw/zinc/78/11/36/489781136.db2.gz BKYJOEAJVBBIEL-YJBOKZPZSA-N 2 2 374.485 0.444 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418899890 489781211 /nfs/dbraw/zinc/78/12/11/489781211.db2.gz JEMIZLXODBACGI-YOEHRIQHSA-N 2 2 355.442 0.662 20 0 FCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430966997 489781682 /nfs/dbraw/zinc/78/16/82/489781682.db2.gz QVGPFNUTZFOAQS-ZDUSSCGKSA-N 2 2 368.503 0.065 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)CC1 ZINC000431008218 489784313 /nfs/dbraw/zinc/78/43/13/489784313.db2.gz YBOIKMQXIVHMSE-MRXNPFEDSA-N 2 2 362.499 0.994 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000563941982 491278410 /nfs/dbraw/zinc/27/84/10/491278410.db2.gz FYEIUVHDAIRTGW-OWCLPIDISA-N 2 2 361.490 0.988 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000563941982 491278412 /nfs/dbraw/zinc/27/84/12/491278412.db2.gz FYEIUVHDAIRTGW-OWCLPIDISA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459902409 489785792 /nfs/dbraw/zinc/78/57/92/489785792.db2.gz GNQNQONDTUOZSF-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459902409 489785795 /nfs/dbraw/zinc/78/57/95/489785795.db2.gz GNQNQONDTUOZSF-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)([NH3+])c1noc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000431094736 489788856 /nfs/dbraw/zinc/78/88/56/489788856.db2.gz CAVPCMAGUIKZEG-UHFFFAOYSA-N 2 2 364.494 0.784 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000459914797 489790396 /nfs/dbraw/zinc/79/03/96/489790396.db2.gz ARHFLNFZOLJQER-MRXNPFEDSA-N 2 2 361.490 0.755 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000459914797 489790400 /nfs/dbraw/zinc/79/04/00/489790400.db2.gz ARHFLNFZOLJQER-MRXNPFEDSA-N 2 2 361.490 0.755 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3COCCN3CC(F)F)CC2)CC1 ZINC000376759129 489791846 /nfs/dbraw/zinc/79/18/46/489791846.db2.gz DOJUVLCQTNWWOA-MRXNPFEDSA-N 2 2 374.476 0.627 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418920608 489792090 /nfs/dbraw/zinc/79/20/90/489792090.db2.gz ZLWQFWFNXWLXIV-UHFFFAOYSA-N 2 2 362.474 0.251 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000490995008 489792209 /nfs/dbraw/zinc/79/22/09/489792209.db2.gz MYBKZPGQBKHPJZ-IEBWSBKVSA-N 3 2 365.566 0.545 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000490995008 489792212 /nfs/dbraw/zinc/79/22/12/489792212.db2.gz MYBKZPGQBKHPJZ-IEBWSBKVSA-N 3 2 365.566 0.545 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418935026 489796216 /nfs/dbraw/zinc/79/62/16/489796216.db2.gz CNLZTJQHJZRBBL-DZGCQCFKSA-N 2 2 364.515 0.951 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418935026 489796219 /nfs/dbraw/zinc/79/62/19/489796219.db2.gz CNLZTJQHJZRBBL-DZGCQCFKSA-N 2 2 364.515 0.951 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418941976 489798680 /nfs/dbraw/zinc/79/86/80/489798680.db2.gz KYYRFCBYJQXPHI-UONOGXRCSA-N 2 2 350.488 0.609 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418941976 489798685 /nfs/dbraw/zinc/79/86/85/489798685.db2.gz KYYRFCBYJQXPHI-UONOGXRCSA-N 2 2 350.488 0.609 20 0 FCADLP CC(C)c1nc(N(C)C)nc(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]1 ZINC000431492751 489807740 /nfs/dbraw/zinc/80/77/40/489807740.db2.gz FONFTWFHDRUOAZ-UHFFFAOYSA-N 2 2 363.510 1.465 20 0 FCADLP CC(C)c1nc(NCC(=O)NCC[NH+]2CCCCCC2)nc(N(C)C)[nH+]1 ZINC000431492751 489807744 /nfs/dbraw/zinc/80/77/44/489807744.db2.gz FONFTWFHDRUOAZ-UHFFFAOYSA-N 2 2 363.510 1.465 20 0 FCADLP CC[C@@]1(C)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459992153 489810190 /nfs/dbraw/zinc/81/01/90/489810190.db2.gz QEHMUHZYDCHKRU-IBGZPJMESA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@@]1(C)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459992153 489810195 /nfs/dbraw/zinc/81/01/95/489810195.db2.gz QEHMUHZYDCHKRU-IBGZPJMESA-N 2 2 368.522 0.498 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000459995581 489813329 /nfs/dbraw/zinc/81/33/29/489813329.db2.gz YSKFFPHZXZPMAM-NVXWUHKLSA-N 2 2 368.522 0.090 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000459995581 489813331 /nfs/dbraw/zinc/81/33/31/489813331.db2.gz YSKFFPHZXZPMAM-NVXWUHKLSA-N 2 2 368.522 0.090 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)CC2)c1 ZINC000459999839 489813764 /nfs/dbraw/zinc/81/37/64/489813764.db2.gz BSDUQLKNMUAXBS-QGZVFWFLSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)CC2)c1 ZINC000459999839 489813771 /nfs/dbraw/zinc/81/37/71/489813771.db2.gz BSDUQLKNMUAXBS-QGZVFWFLSA-N 2 2 373.501 0.837 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460008208 489815682 /nfs/dbraw/zinc/81/56/82/489815682.db2.gz DYYDLTUIVQAFTD-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460008208 489815685 /nfs/dbraw/zinc/81/56/85/489815685.db2.gz DYYDLTUIVQAFTD-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CCCn3cc[nH+]c3)CC2)c1 ZINC000460013920 489818283 /nfs/dbraw/zinc/81/82/83/489818283.db2.gz SRGLDYFEEATRPX-UHFFFAOYSA-N 2 2 370.457 0.784 20 0 FCADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1c1nc(C2CC2)no1 ZINC000492170156 489820530 /nfs/dbraw/zinc/82/05/30/489820530.db2.gz USTIUOVRHOIVAN-OAHLLOKOSA-N 2 2 362.478 0.400 20 0 FCADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1c1nc(C2CC2)no1 ZINC000492170156 489820535 /nfs/dbraw/zinc/82/05/35/489820535.db2.gz USTIUOVRHOIVAN-OAHLLOKOSA-N 2 2 362.478 0.400 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000419032934 489826171 /nfs/dbraw/zinc/82/61/71/489826171.db2.gz BIQOTLGIGJKNFL-MRXNPFEDSA-N 2 2 355.442 0.947 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000555907378 491281985 /nfs/dbraw/zinc/28/19/85/491281985.db2.gz CCJYRCVUNNKXQQ-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000492811909 489836701 /nfs/dbraw/zinc/83/67/01/489836701.db2.gz XMMRHPFEXMEXKL-SJLPKXTDSA-N 2 2 354.539 0.876 20 0 FCADLP CCC(CC)[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000492811911 489836781 /nfs/dbraw/zinc/83/67/81/489836781.db2.gz XMMRHPFEXMEXKL-WMZOPIPTSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419067913 489842930 /nfs/dbraw/zinc/84/29/30/489842930.db2.gz DSXMPMOIXKMHKV-WFASDCNBSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2)CCO1 ZINC000419066477 489843070 /nfs/dbraw/zinc/84/30/70/489843070.db2.gz FALZOZBRURCDDZ-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)c2)CCO1 ZINC000419066477 489843073 /nfs/dbraw/zinc/84/30/73/489843073.db2.gz FALZOZBRURCDDZ-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1F ZINC000419071046 489845402 /nfs/dbraw/zinc/84/54/02/489845402.db2.gz IFUFDOVUFKRUMP-DOMZBBRYSA-N 2 2 359.405 0.715 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)C1 ZINC000571052638 491282704 /nfs/dbraw/zinc/28/27/04/491282704.db2.gz ZPRAGZXFPMLLBB-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)C1 ZINC000571052638 491282705 /nfs/dbraw/zinc/28/27/05/491282705.db2.gz ZPRAGZXFPMLLBB-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1F ZINC000419074110 489846670 /nfs/dbraw/zinc/84/66/70/489846670.db2.gz LLZUZABYKUNCKT-UHOFOFEASA-N 2 2 371.416 0.585 20 0 FCADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000571052638 491282706 /nfs/dbraw/zinc/28/27/06/491282706.db2.gz ZPRAGZXFPMLLBB-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000571052638 491282707 /nfs/dbraw/zinc/28/27/07/491282707.db2.gz ZPRAGZXFPMLLBB-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)[C@@H](C)C[NH2+]1 ZINC000419076178 489847658 /nfs/dbraw/zinc/84/76/58/489847658.db2.gz NUIFNBMPHPGANW-WWGRRREGSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000419081390 489849411 /nfs/dbraw/zinc/84/94/11/489849411.db2.gz YPZQJPCZSURZBF-CVEARBPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000419081390 489849414 /nfs/dbraw/zinc/84/94/14/489849414.db2.gz YPZQJPCZSURZBF-CVEARBPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC[NH2+]1 ZINC000419081395 489849632 /nfs/dbraw/zinc/84/96/32/489849632.db2.gz YPZQJPCZSURZBF-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC[NH2+]1 ZINC000419081395 489849634 /nfs/dbraw/zinc/84/96/34/489849634.db2.gz YPZQJPCZSURZBF-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP Cc1nc(N[C@@H]2CCn3cc[nH+]c3C2)nc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000432835526 489855654 /nfs/dbraw/zinc/85/56/54/489855654.db2.gz IEMLFRPHRHASMI-ZIAGYGMSSA-N 3 2 365.445 1.427 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2C(N)=O)cc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000432822618 489855694 /nfs/dbraw/zinc/85/56/94/489855694.db2.gz GISFPWIKPDCZLY-IRXDYDNUSA-N 2 2 360.458 0.595 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2C(N)=O)cc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000432822618 489855697 /nfs/dbraw/zinc/85/56/97/489855697.db2.gz GISFPWIKPDCZLY-IRXDYDNUSA-N 2 2 360.458 0.595 20 0 FCADLP Cc1nc(N[C@H]2CCn3cc[nH+]c3C2)nc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000432835524 489856385 /nfs/dbraw/zinc/85/63/85/489856385.db2.gz IEMLFRPHRHASMI-KBPBESRZSA-N 3 2 365.445 1.427 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000460239212 489856667 /nfs/dbraw/zinc/85/66/67/489856667.db2.gz ZABLJMSWNYTWHE-IBGZPJMESA-N 2 2 357.458 0.840 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000460239212 489856670 /nfs/dbraw/zinc/85/66/70/489856670.db2.gz ZABLJMSWNYTWHE-IBGZPJMESA-N 2 2 357.458 0.840 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000460253784 489857734 /nfs/dbraw/zinc/85/77/34/489857734.db2.gz JWJOTUIEZMWUNO-IRXDYDNUSA-N 2 2 357.543 0.621 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000460253784 489857739 /nfs/dbraw/zinc/85/77/39/489857739.db2.gz JWJOTUIEZMWUNO-IRXDYDNUSA-N 2 2 357.543 0.621 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1CCOCC1 ZINC000460253775 489857850 /nfs/dbraw/zinc/85/78/50/489857850.db2.gz JWJOTUIEZMWUNO-DLBZAZTESA-N 2 2 357.543 0.621 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+]1CCOCC1 ZINC000460253775 489857854 /nfs/dbraw/zinc/85/78/54/489857854.db2.gz JWJOTUIEZMWUNO-DLBZAZTESA-N 2 2 357.543 0.621 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000460253727 489858258 /nfs/dbraw/zinc/85/82/58/489858258.db2.gz JLGLEPHCJRNOEU-QGZVFWFLSA-N 2 2 356.559 0.147 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000460253727 489858260 /nfs/dbraw/zinc/85/82/60/489858260.db2.gz JLGLEPHCJRNOEU-QGZVFWFLSA-N 2 2 356.559 0.147 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000460253727 489858262 /nfs/dbraw/zinc/85/82/62/489858262.db2.gz JLGLEPHCJRNOEU-QGZVFWFLSA-N 2 2 356.559 0.147 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419112422 489859903 /nfs/dbraw/zinc/85/99/03/489859903.db2.gz FLVYACQYJGDYCC-BBWFWOEESA-N 2 2 368.522 0.578 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419117602 489862545 /nfs/dbraw/zinc/86/25/45/489862545.db2.gz MJBUIHDXPHJELJ-OWCLPIDISA-N 2 2 354.495 0.106 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000419116943 489862567 /nfs/dbraw/zinc/86/25/67/489862567.db2.gz LWGZBADGJDIHEN-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CN(CC[NH+](C)C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000476044318 489864173 /nfs/dbraw/zinc/86/41/73/489864173.db2.gz WRQWZFKNSDABKA-UHFFFAOYSA-N 2 2 362.478 0.486 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000419122769 489867006 /nfs/dbraw/zinc/86/70/06/489867006.db2.gz UNSUXNPSRKZAFC-ZBFHGGJFSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000419122791 489867288 /nfs/dbraw/zinc/86/72/88/489867288.db2.gz URKAKQOXHRRKGB-OAHLLOKOSA-N 2 2 354.495 0.237 20 0 FCADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000433129690 489867724 /nfs/dbraw/zinc/86/77/24/489867724.db2.gz OQPMKZSAHFQRTF-INIZCTEOSA-N 2 2 364.465 0.931 20 0 FCADLP C[NH2+]C1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419124253 489867939 /nfs/dbraw/zinc/86/79/39/489867939.db2.gz XITRYSKVAFXSGI-INIZCTEOSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[C@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433192633 489870462 /nfs/dbraw/zinc/87/04/62/489870462.db2.gz LZNRIKUASJAICX-IBGZPJMESA-N 2 2 368.522 0.234 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000419984074 489873254 /nfs/dbraw/zinc/87/32/54/489873254.db2.gz VMPZJYTURBGHME-ZIAGYGMSSA-N 2 2 352.504 0.925 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205943 489874396 /nfs/dbraw/zinc/87/43/96/489874396.db2.gz UCYQWKUZLBQEEW-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205943 489874399 /nfs/dbraw/zinc/87/43/99/489874399.db2.gz UCYQWKUZLBQEEW-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205943 489874400 /nfs/dbraw/zinc/87/44/00/489874400.db2.gz UCYQWKUZLBQEEW-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205943 489874403 /nfs/dbraw/zinc/87/44/03/489874403.db2.gz UCYQWKUZLBQEEW-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000420001088 489877525 /nfs/dbraw/zinc/87/75/25/489877525.db2.gz PFMWWMHWRNKTPV-WBVHZDCISA-N 2 2 366.506 0.062 20 0 FCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000420001088 489877531 /nfs/dbraw/zinc/87/75/31/489877531.db2.gz PFMWWMHWRNKTPV-WBVHZDCISA-N 2 2 366.506 0.062 20 0 FCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000420001085 489877784 /nfs/dbraw/zinc/87/77/84/489877784.db2.gz PFMWWMHWRNKTPV-RDJZCZTQSA-N 2 2 366.506 0.062 20 0 FCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000420001085 489877790 /nfs/dbraw/zinc/87/77/90/489877790.db2.gz PFMWWMHWRNKTPV-RDJZCZTQSA-N 2 2 366.506 0.062 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000433380659 489880186 /nfs/dbraw/zinc/88/01/86/489880186.db2.gz DNICXOPVDLQMCE-HUUCEWRRSA-N 2 2 350.467 0.289 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420020110 489882523 /nfs/dbraw/zinc/88/25/23/489882523.db2.gz RPNLTZIILOCIAN-DOTOQJQBSA-N 3 2 367.538 0.105 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420020110 489882526 /nfs/dbraw/zinc/88/25/26/489882526.db2.gz RPNLTZIILOCIAN-DOTOQJQBSA-N 3 2 367.538 0.105 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420021044 489882898 /nfs/dbraw/zinc/88/28/98/489882898.db2.gz TUOSHCUBRMCJPP-QGZVFWFLSA-N 2 2 362.474 0.309 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000420028276 489885786 /nfs/dbraw/zinc/88/57/86/489885786.db2.gz DDGBHMFAUAMACP-USXIJHARSA-N 2 2 374.485 0.731 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000433559099 489891901 /nfs/dbraw/zinc/89/19/01/489891901.db2.gz GEPGHUGJBPAQDN-INIZCTEOSA-N 2 2 354.495 0.507 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000476490860 489894031 /nfs/dbraw/zinc/89/40/31/489894031.db2.gz ZECREZGYXHYBHT-INIZCTEOSA-N 2 2 370.519 0.710 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119284 489896431 /nfs/dbraw/zinc/89/64/31/489896431.db2.gz VVUVPWMXCGPWAN-SJORKVTESA-N 2 2 368.522 0.579 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119284 489896437 /nfs/dbraw/zinc/89/64/37/489896437.db2.gz VVUVPWMXCGPWAN-SJORKVTESA-N 2 2 368.522 0.579 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420056664 489896994 /nfs/dbraw/zinc/89/69/94/489896994.db2.gz HMCORZODWDPWDD-DOMZBBRYSA-N 2 2 350.488 0.807 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000420064560 489900402 /nfs/dbraw/zinc/90/04/02/489900402.db2.gz PCCSFWHGBOBJLS-GINYUPMKSA-N 2 2 356.470 0.698 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@]1(CO)CCOC1 ZINC000461365519 489906301 /nfs/dbraw/zinc/90/63/01/489906301.db2.gz KWRYEZFKXAEOPP-IBGZPJMESA-N 2 2 369.506 0.221 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@]1(CO)CCOC1 ZINC000461365519 489906306 /nfs/dbraw/zinc/90/63/06/489906306.db2.gz KWRYEZFKXAEOPP-IBGZPJMESA-N 2 2 369.506 0.221 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433963838 489906676 /nfs/dbraw/zinc/90/66/76/489906676.db2.gz CEVBQFYUURPGQN-MRXNPFEDSA-N 2 2 354.495 0.507 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433963838 489906679 /nfs/dbraw/zinc/90/66/79/489906679.db2.gz CEVBQFYUURPGQN-MRXNPFEDSA-N 2 2 354.495 0.507 20 0 FCADLP CC(C)[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000434001017 489909811 /nfs/dbraw/zinc/90/98/11/489909811.db2.gz ARZWCOOTMRUMHU-QZTJIDSGSA-N 2 2 369.554 0.621 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000433996168 489909895 /nfs/dbraw/zinc/90/98/95/489909895.db2.gz YHUUSMVKRXXWJK-DLBZAZTESA-N 2 2 356.511 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000433996168 489909896 /nfs/dbraw/zinc/90/98/96/489909896.db2.gz YHUUSMVKRXXWJK-DLBZAZTESA-N 2 2 356.511 0.705 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000420094905 489910570 /nfs/dbraw/zinc/91/05/70/489910570.db2.gz RPPCJFDTPNJVEI-UHFFFAOYSA-N 2 2 374.489 0.555 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCOCC1 ZINC000434149572 489914721 /nfs/dbraw/zinc/91/47/21/489914721.db2.gz CTKSERVNWVDMRE-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCOCC1 ZINC000434149572 489914727 /nfs/dbraw/zinc/91/47/27/489914727.db2.gz CTKSERVNWVDMRE-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420110368 489915817 /nfs/dbraw/zinc/91/58/17/489915817.db2.gz FQNOEXMBFUOGGS-NUJGCVRESA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420110368 489915819 /nfs/dbraw/zinc/91/58/19/489915819.db2.gz FQNOEXMBFUOGGS-NUJGCVRESA-N 2 2 358.486 0.834 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000461527763 489916350 /nfs/dbraw/zinc/91/63/50/489916350.db2.gz YLZODAMMUQXAFQ-UHFFFAOYSA-N 2 2 365.478 0.496 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420116543 489918018 /nfs/dbraw/zinc/91/80/18/489918018.db2.gz HEKHQFULSKOYIS-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)CCC(F)(F)F ZINC000494979236 489922487 /nfs/dbraw/zinc/92/24/87/489922487.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP CC[N@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000494979236 489922466 /nfs/dbraw/zinc/92/24/66/489922466.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP CC[N@@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000494979236 489922470 /nfs/dbraw/zinc/92/24/70/489922470.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C)CCC(F)(F)F ZINC000494979236 489922473 /nfs/dbraw/zinc/92/24/73/489922473.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)CCC(F)(F)F ZINC000494979236 489922476 /nfs/dbraw/zinc/92/24/76/489922476.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP CC[N@H+](CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C)CCC(F)(F)F ZINC000494979236 489922480 /nfs/dbraw/zinc/92/24/80/489922480.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP CC[N@@H+](CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C)CCC(F)(F)F ZINC000494979236 489922483 /nfs/dbraw/zinc/92/24/83/489922483.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)CCC(F)(F)F ZINC000494979236 489922489 /nfs/dbraw/zinc/92/24/89/489922489.db2.gz LUPCMAQERHQIJM-ZDUSSCGKSA-N 2 2 353.433 0.806 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420139837 489927693 /nfs/dbraw/zinc/92/76/93/489927693.db2.gz OXSZAZDDBAIDES-INIZCTEOSA-N 2 2 356.470 0.755 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000420139837 489927696 /nfs/dbraw/zinc/92/76/96/489927696.db2.gz OXSZAZDDBAIDES-INIZCTEOSA-N 2 2 356.470 0.755 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000495227822 489932472 /nfs/dbraw/zinc/93/24/72/489932472.db2.gz IKWAJYLEYMZQSE-WMZOPIPTSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000495227822 489932475 /nfs/dbraw/zinc/93/24/75/489932475.db2.gz IKWAJYLEYMZQSE-WMZOPIPTSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000495227820 489932526 /nfs/dbraw/zinc/93/25/26/489932526.db2.gz IKWAJYLEYMZQSE-FUHWJXTLSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000495227820 489932529 /nfs/dbraw/zinc/93/25/29/489932529.db2.gz IKWAJYLEYMZQSE-FUHWJXTLSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000495261894 489933277 /nfs/dbraw/zinc/93/32/77/489933277.db2.gz LGVQHHVUPNGFAT-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000495261894 489933280 /nfs/dbraw/zinc/93/32/80/489933280.db2.gz LGVQHHVUPNGFAT-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420155286 489934323 /nfs/dbraw/zinc/93/43/23/489934323.db2.gz UHVDNDCTSIDOCN-ZIAGYGMSSA-N 2 2 368.428 0.818 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420155286 489934325 /nfs/dbraw/zinc/93/43/25/489934325.db2.gz UHVDNDCTSIDOCN-ZIAGYGMSSA-N 2 2 368.428 0.818 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)s1 ZINC000420181755 489943529 /nfs/dbraw/zinc/94/35/29/489943529.db2.gz YMDNDLPVWMOPNK-UHFFFAOYSA-N 2 2 374.457 0.665 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000556024537 491290027 /nfs/dbraw/zinc/29/00/27/491290027.db2.gz LWKJWZPKKAOZEE-UHFFFAOYSA-N 2 2 366.425 0.940 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420196622 489948729 /nfs/dbraw/zinc/94/87/29/489948729.db2.gz AUTNKBFPJBRBGV-CEXWTWQISA-N 2 2 370.497 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000377784112 489958292 /nfs/dbraw/zinc/95/82/92/489958292.db2.gz REWLRJSBTDYBEZ-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)c1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc(C(=O)OC)c1 ZINC000420283291 489960205 /nfs/dbraw/zinc/96/02/05/489960205.db2.gz BWOJMMZOPVTVIJ-SFHVURJKSA-N 2 2 363.414 0.915 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000462185276 489962395 /nfs/dbraw/zinc/96/23/95/489962395.db2.gz HRTTVGBVXALEAS-CQSZACIVSA-N 2 2 364.446 0.980 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346464 489965461 /nfs/dbraw/zinc/96/54/61/489965461.db2.gz CWSQRORGWDIOGR-GJZGRUSLSA-N 2 2 362.474 0.969 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346464 489965464 /nfs/dbraw/zinc/96/54/64/489965464.db2.gz CWSQRORGWDIOGR-GJZGRUSLSA-N 2 2 362.474 0.969 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000420353303 489966182 /nfs/dbraw/zinc/96/61/82/489966182.db2.gz AINQKEHRWLAFFA-HFBDOXOYSA-N 2 2 374.894 0.902 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1[NH3+] ZINC000420353353 489966783 /nfs/dbraw/zinc/96/67/83/489966783.db2.gz AZRDUDLVNIXREQ-QAPCUYQASA-N 2 2 358.486 0.545 20 0 FCADLP Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361573 489967341 /nfs/dbraw/zinc/96/73/41/489967341.db2.gz YLQPLLMQNNJTHE-KRWDZBQOSA-N 2 2 359.474 0.416 20 0 FCADLP Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361573 489967345 /nfs/dbraw/zinc/96/73/45/489967345.db2.gz YLQPLLMQNNJTHE-KRWDZBQOSA-N 2 2 359.474 0.416 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420362235 489967675 /nfs/dbraw/zinc/96/76/75/489967675.db2.gz IOSVGWNNNRLTKA-IQUTYRLHSA-N 2 2 362.474 0.880 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1C ZINC000420371317 489968149 /nfs/dbraw/zinc/96/81/49/489968149.db2.gz DCDYQQTUESARQM-OCCSQVGLSA-N 2 2 368.503 0.758 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1C ZINC000420371317 489968151 /nfs/dbraw/zinc/96/81/51/489968151.db2.gz DCDYQQTUESARQM-OCCSQVGLSA-N 2 2 368.503 0.758 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420374031 489968548 /nfs/dbraw/zinc/96/85/48/489968548.db2.gz RSVUQWBVDHZJIL-KRWDZBQOSA-N 2 2 362.474 0.664 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385161 489969658 /nfs/dbraw/zinc/96/96/58/489969658.db2.gz UOSGYGPHQCKFGM-APWZRJJASA-N 2 2 358.490 0.589 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385161 489969662 /nfs/dbraw/zinc/96/96/62/489969662.db2.gz UOSGYGPHQCKFGM-APWZRJJASA-N 2 2 358.490 0.589 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420383472 489969740 /nfs/dbraw/zinc/96/97/40/489969740.db2.gz QPYKCDHKYLZTHV-LSDHHAIUSA-N 2 2 362.474 0.975 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420383472 489969742 /nfs/dbraw/zinc/96/97/42/489969742.db2.gz QPYKCDHKYLZTHV-LSDHHAIUSA-N 2 2 362.474 0.975 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000420376913 489969804 /nfs/dbraw/zinc/96/98/04/489969804.db2.gz VQJIWKCKQZVTBJ-BWACUDIHSA-N 2 2 366.487 0.199 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420378574 489969993 /nfs/dbraw/zinc/96/99/93/489969993.db2.gz MERUKATVRLGDDW-INIZCTEOSA-N 2 2 372.429 0.799 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420378574 489969995 /nfs/dbraw/zinc/96/99/95/489969995.db2.gz MERUKATVRLGDDW-INIZCTEOSA-N 2 2 372.429 0.799 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911086 489977787 /nfs/dbraw/zinc/97/77/87/489977787.db2.gz MKKXUPZQHMMTNP-QZTJIDSGSA-N 2 2 374.533 0.934 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911086 489977792 /nfs/dbraw/zinc/97/77/92/489977792.db2.gz MKKXUPZQHMMTNP-QZTJIDSGSA-N 2 2 374.533 0.934 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000377911243 489977907 /nfs/dbraw/zinc/97/79/07/489977907.db2.gz MWIKDHDONFHNLE-OAHLLOKOSA-N 2 2 372.429 0.351 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000377911243 489977909 /nfs/dbraw/zinc/97/79/09/489977909.db2.gz MWIKDHDONFHNLE-OAHLLOKOSA-N 2 2 372.429 0.351 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556079434 491292622 /nfs/dbraw/zinc/29/26/22/491292622.db2.gz NPASZNXZUKQRJR-ZDUSSCGKSA-N 2 2 365.444 0.948 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435489982 490004034 /nfs/dbraw/zinc/00/40/34/490004034.db2.gz DWJLDCBQFHVPCG-QZTJIDSGSA-N 2 2 370.538 0.976 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435489982 490004036 /nfs/dbraw/zinc/00/40/36/490004036.db2.gz DWJLDCBQFHVPCG-QZTJIDSGSA-N 2 2 370.538 0.976 20 0 FCADLP C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(CC[NH+]2CCCOCC2)CCO1 ZINC000463196872 490004132 /nfs/dbraw/zinc/00/41/32/490004132.db2.gz GLOQCCGANWMGQA-QGZVFWFLSA-N 2 2 371.522 0.683 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C[C@@H]1CN(CC[N@@H+]2CCCOCC2)CCO1 ZINC000463196872 490004137 /nfs/dbraw/zinc/00/41/37/490004137.db2.gz GLOQCCGANWMGQA-QGZVFWFLSA-N 2 2 371.522 0.683 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C[C@@H]1CN(CC[N@H+]2CCCOCC2)CCO1 ZINC000463196872 490004138 /nfs/dbraw/zinc/00/41/38/490004138.db2.gz GLOQCCGANWMGQA-QGZVFWFLSA-N 2 2 371.522 0.683 20 0 FCADLP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463425385 490016236 /nfs/dbraw/zinc/01/62/36/490016236.db2.gz IVYVWZAIKUVJQT-UHFFFAOYSA-N 2 2 370.519 0.497 20 0 FCADLP C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000478543755 490024503 /nfs/dbraw/zinc/02/45/03/490024503.db2.gz QPGISYLOTRITDU-INIZCTEOSA-N 2 2 367.538 0.119 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000478543755 490024505 /nfs/dbraw/zinc/02/45/05/490024505.db2.gz QPGISYLOTRITDU-INIZCTEOSA-N 2 2 367.538 0.119 20 0 FCADLP CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420987610 490040111 /nfs/dbraw/zinc/04/01/11/490040111.db2.gz OTZASRTVJYZNIT-IBGZPJMESA-N 2 2 358.486 0.850 20 0 FCADLP CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420987610 490040114 /nfs/dbraw/zinc/04/01/14/490040114.db2.gz OTZASRTVJYZNIT-IBGZPJMESA-N 2 2 358.486 0.850 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000564232398 491295652 /nfs/dbraw/zinc/29/56/52/491295652.db2.gz WBRQEQIBDKWDDG-QGZVFWFLSA-N 2 2 368.522 0.308 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC000378314877 490048218 /nfs/dbraw/zinc/04/82/18/490048218.db2.gz LPVVQKWDAYSQTB-IBGZPJMESA-N 2 2 357.502 0.762 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC000378314877 490048222 /nfs/dbraw/zinc/04/82/22/490048222.db2.gz LPVVQKWDAYSQTB-IBGZPJMESA-N 2 2 357.502 0.762 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378430154 490063752 /nfs/dbraw/zinc/06/37/52/490063752.db2.gz NDWGWBPILBIVRQ-INIZCTEOSA-N 2 2 351.422 0.511 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443923261 490075805 /nfs/dbraw/zinc/07/58/05/490075805.db2.gz XUTNIRHGKKMYSG-UHFFFAOYSA-N 2 2 366.510 1.267 20 0 FCADLP C[N@H+](CC(=O)N1CCC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCSC1 ZINC000479304108 490082372 /nfs/dbraw/zinc/08/23/72/490082372.db2.gz QPUROHYAUHPAJU-INIZCTEOSA-N 2 2 368.547 0.580 20 0 FCADLP C[N@@H+](CC(=O)N1CCC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCSC1 ZINC000479304108 490082377 /nfs/dbraw/zinc/08/23/77/490082377.db2.gz QPUROHYAUHPAJU-INIZCTEOSA-N 2 2 368.547 0.580 20 0 FCADLP C[NH+](CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[C@H]1CCSC1 ZINC000479304108 490082383 /nfs/dbraw/zinc/08/23/83/490082383.db2.gz QPUROHYAUHPAJU-INIZCTEOSA-N 2 2 368.547 0.580 20 0 FCADLP C[NH+](CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[C@H]1CCSC1 ZINC000479304108 490082386 /nfs/dbraw/zinc/08/23/86/490082386.db2.gz QPUROHYAUHPAJU-INIZCTEOSA-N 2 2 368.547 0.580 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000519813907 490088931 /nfs/dbraw/zinc/08/89/31/490088931.db2.gz QJRBMKUVJVRMEZ-UHFFFAOYSA-N 2 2 373.501 0.183 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000519819948 490091352 /nfs/dbraw/zinc/09/13/52/490091352.db2.gz BTCMBSMIYDIVCH-KBUPBQIOSA-N 2 2 374.428 0.764 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000519823117 490093151 /nfs/dbraw/zinc/09/31/51/490093151.db2.gz RSLXSMBAOQXHRW-GOSISDBHSA-N 2 2 373.501 0.977 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000519823117 490093154 /nfs/dbraw/zinc/09/31/54/490093154.db2.gz RSLXSMBAOQXHRW-GOSISDBHSA-N 2 2 373.501 0.977 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000495783560 490093607 /nfs/dbraw/zinc/09/36/07/490093607.db2.gz GHOVTMSOXOQPPK-UXLLHSPISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000495783560 490093609 /nfs/dbraw/zinc/09/36/09/490093609.db2.gz GHOVTMSOXOQPPK-UXLLHSPISA-N 2 2 354.495 0.010 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000545204991 490098572 /nfs/dbraw/zinc/09/85/72/490098572.db2.gz SUCAUQWWGQQSQV-OAHLLOKOSA-N 2 2 361.508 0.418 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564310595 491299591 /nfs/dbraw/zinc/29/95/91/491299591.db2.gz WKIZYYDVXVMDAR-OWCLPIDISA-N 2 2 366.506 0.321 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564310595 491299593 /nfs/dbraw/zinc/29/95/93/491299593.db2.gz WKIZYYDVXVMDAR-OWCLPIDISA-N 2 2 366.506 0.321 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000564310595 491299597 /nfs/dbraw/zinc/29/95/97/491299597.db2.gz WKIZYYDVXVMDAR-OWCLPIDISA-N 2 2 366.506 0.321 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000564310595 491299601 /nfs/dbraw/zinc/29/96/01/491299601.db2.gz WKIZYYDVXVMDAR-OWCLPIDISA-N 2 2 366.506 0.321 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000479670462 490113777 /nfs/dbraw/zinc/11/37/77/490113777.db2.gz CPIINDOHMIZWLV-MSOLQXFVSA-N 2 2 369.554 0.501 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000479670462 490113786 /nfs/dbraw/zinc/11/37/86/490113786.db2.gz CPIINDOHMIZWLV-MSOLQXFVSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000479670462 490113790 /nfs/dbraw/zinc/11/37/90/490113790.db2.gz CPIINDOHMIZWLV-MSOLQXFVSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000479670462 490113797 /nfs/dbraw/zinc/11/37/97/490113797.db2.gz CPIINDOHMIZWLV-MSOLQXFVSA-N 2 2 369.554 0.501 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000479670464 490114226 /nfs/dbraw/zinc/11/42/26/490114226.db2.gz CPIINDOHMIZWLV-ROUUACIJSA-N 2 2 369.554 0.501 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000479670464 490114232 /nfs/dbraw/zinc/11/42/32/490114232.db2.gz CPIINDOHMIZWLV-ROUUACIJSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000479670464 490114239 /nfs/dbraw/zinc/11/42/39/490114239.db2.gz CPIINDOHMIZWLV-ROUUACIJSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000479670464 490114243 /nfs/dbraw/zinc/11/42/43/490114243.db2.gz CPIINDOHMIZWLV-ROUUACIJSA-N 2 2 369.554 0.501 20 0 FCADLP Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000479783890 490124881 /nfs/dbraw/zinc/12/48/81/490124881.db2.gz QVXDPXNTHRGJOU-CALCHBBNSA-N 2 2 370.497 0.867 20 0 FCADLP Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000479783890 490124885 /nfs/dbraw/zinc/12/48/85/490124885.db2.gz QVXDPXNTHRGJOU-CALCHBBNSA-N 2 2 370.497 0.867 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)N3CCOCC3)CC2)CC1 ZINC000422009518 490126015 /nfs/dbraw/zinc/12/60/15/490126015.db2.gz BFJXNUUILWMEFT-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)N3CCOCC3)CC2)CC1 ZINC000422009518 490126020 /nfs/dbraw/zinc/12/60/20/490126020.db2.gz BFJXNUUILWMEFT-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341684 491301843 /nfs/dbraw/zinc/30/18/43/491301843.db2.gz PSEWXEQTZZDNKE-IEBWSBKVSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341684 491301848 /nfs/dbraw/zinc/30/18/48/491301848.db2.gz PSEWXEQTZZDNKE-IEBWSBKVSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341684 491301849 /nfs/dbraw/zinc/30/18/49/491301849.db2.gz PSEWXEQTZZDNKE-IEBWSBKVSA-N 2 2 350.459 0.742 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000479976426 490143162 /nfs/dbraw/zinc/14/31/62/490143162.db2.gz FCVLFXXCEWFSFB-CVEARBPZSA-N 2 2 370.538 0.648 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000465836129 490145107 /nfs/dbraw/zinc/14/51/07/490145107.db2.gz GIKIQLMDTSIGFN-UHFFFAOYSA-N 2 2 355.527 0.912 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000465836129 490145112 /nfs/dbraw/zinc/14/51/12/490145112.db2.gz GIKIQLMDTSIGFN-UHFFFAOYSA-N 2 2 355.527 0.912 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000465860750 490146502 /nfs/dbraw/zinc/14/65/02/490146502.db2.gz GFGMIMAFHIXFMA-GVDBMIGSSA-N 2 2 356.511 0.848 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000571360174 491303326 /nfs/dbraw/zinc/30/33/26/491303326.db2.gz RCPLJOCYXACJLF-MRXNPFEDSA-N 2 2 356.511 0.258 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000571360174 491303329 /nfs/dbraw/zinc/30/33/29/491303329.db2.gz RCPLJOCYXACJLF-MRXNPFEDSA-N 2 2 356.511 0.258 20 0 FCADLP C[NH+]1CCN(c2cc(-c3nc([C@@H]4C[NH+]5CCN4CC5)no3)ccn2)CC1 ZINC000545812923 490155862 /nfs/dbraw/zinc/15/58/62/490155862.db2.gz FRLXNAMAROBAQO-HNNXBMFYSA-N 2 2 355.446 0.556 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H](S(C)(=O)=O)C3)cn2)CC1 ZINC000446842523 490165412 /nfs/dbraw/zinc/16/54/12/490165412.db2.gz GKUZVUAZCPVUBV-INIZCTEOSA-N 2 2 367.519 0.628 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H](S(C)(=O)=O)C3)cn2)CC1 ZINC000446842523 490165420 /nfs/dbraw/zinc/16/54/20/490165420.db2.gz GKUZVUAZCPVUBV-INIZCTEOSA-N 2 2 367.519 0.628 20 0 FCADLP CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000533064588 490165754 /nfs/dbraw/zinc/16/57/54/490165754.db2.gz MXLHRKCEATTXFF-UHFFFAOYSA-N 2 2 352.504 0.849 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119005 490171638 /nfs/dbraw/zinc/17/16/38/490171638.db2.gz RRDGCYKPJMITGS-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119005 490171649 /nfs/dbraw/zinc/17/16/49/490171649.db2.gz RRDGCYKPJMITGS-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119005 490171660 /nfs/dbraw/zinc/17/16/60/490171660.db2.gz RRDGCYKPJMITGS-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119005 490171672 /nfs/dbraw/zinc/17/16/72/490171672.db2.gz RRDGCYKPJMITGS-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000556244594 491305735 /nfs/dbraw/zinc/30/57/35/491305735.db2.gz FCWXGVBTKYIINU-INIZCTEOSA-N 2 2 355.442 0.692 20 0 FCADLP CC1(C)CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]1 ZINC000571419954 491307108 /nfs/dbraw/zinc/30/71/08/491307108.db2.gz IFOVWPFQEBJBGR-UHFFFAOYSA-N 2 2 351.495 0.324 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000556274589 491307723 /nfs/dbraw/zinc/30/77/23/491307723.db2.gz YPNJZQUQTNGZHU-DOTOQJQBSA-N 2 2 373.501 0.821 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000556274589 491307724 /nfs/dbraw/zinc/30/77/24/491307724.db2.gz YPNJZQUQTNGZHU-DOTOQJQBSA-N 2 2 373.501 0.821 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000556274591 491307785 /nfs/dbraw/zinc/30/77/85/491307785.db2.gz YPNJZQUQTNGZHU-RDJZCZTQSA-N 2 2 373.501 0.821 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000556274591 491307786 /nfs/dbraw/zinc/30/77/86/491307786.db2.gz YPNJZQUQTNGZHU-RDJZCZTQSA-N 2 2 373.501 0.821 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000556311667 491309097 /nfs/dbraw/zinc/30/90/97/491309097.db2.gz LMQHBVONUYADJE-HOTGVXAUSA-N 2 2 365.478 0.347 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000497929716 490234669 /nfs/dbraw/zinc/23/46/69/490234669.db2.gz LFULCOPGYZTODR-QGZVFWFLSA-N 2 2 356.430 0.296 20 0 FCADLP COC(=O)COc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000521228140 490239362 /nfs/dbraw/zinc/23/93/62/490239362.db2.gz MCFZRNFYHXQMRJ-INMHGKMJSA-N 2 2 366.458 0.798 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc2)CC1 ZINC000498207747 490272460 /nfs/dbraw/zinc/27/24/60/490272460.db2.gz JBFCECAPXBIUMH-CQSZACIVSA-N 2 2 354.401 0.673 20 0 FCADLP CN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000533813133 490285818 /nfs/dbraw/zinc/28/58/18/490285818.db2.gz XSODKZJLXBAKLP-QGZVFWFLSA-N 2 2 373.505 0.477 20 0 FCADLP CN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000533813133 490285822 /nfs/dbraw/zinc/28/58/22/490285822.db2.gz XSODKZJLXBAKLP-QGZVFWFLSA-N 2 2 373.505 0.477 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CO)[C@H]3CCCO3)CC2)c1 ZINC000447906942 490288737 /nfs/dbraw/zinc/28/87/37/490288737.db2.gz PPQUYQJCMGTBDF-RTBURBONSA-N 2 2 361.486 0.769 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866182 490293040 /nfs/dbraw/zinc/29/30/40/490293040.db2.gz RIDCAYRBJHZASK-NVXWUHKLSA-N 2 2 355.442 0.813 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866182 490293048 /nfs/dbraw/zinc/29/30/48/490293048.db2.gz RIDCAYRBJHZASK-NVXWUHKLSA-N 2 2 355.442 0.813 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533865092 490293763 /nfs/dbraw/zinc/29/37/63/490293763.db2.gz HOERQLZWGFDJPN-LBPRGKRZSA-N 2 2 363.443 0.496 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533865092 490293767 /nfs/dbraw/zinc/29/37/67/490293767.db2.gz HOERQLZWGFDJPN-LBPRGKRZSA-N 2 2 363.443 0.496 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCn3ccccc3=O)CC2)CC1 ZINC000533890139 490296406 /nfs/dbraw/zinc/29/64/06/490296406.db2.gz UUSIBYQBDYQARZ-UHFFFAOYSA-N 2 2 361.490 0.706 20 0 FCADLP CSC[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521799932 490298815 /nfs/dbraw/zinc/29/88/15/490298815.db2.gz FXQWUXSEHGDDHG-HNNXBMFYSA-N 2 2 370.563 0.682 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)[C@H]3CCCO3)CC2)CC1 ZINC000447983761 490306760 /nfs/dbraw/zinc/30/67/60/490306760.db2.gz UCBXXOFLZLPPPL-DLBZAZTESA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000467639420 490324866 /nfs/dbraw/zinc/32/48/66/490324866.db2.gz IZXOUWCBMSZXEW-XHSDSOJGSA-N 2 2 359.536 0.827 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000467639420 490324871 /nfs/dbraw/zinc/32/48/71/490324871.db2.gz IZXOUWCBMSZXEW-XHSDSOJGSA-N 2 2 359.536 0.827 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000422456903 490330601 /nfs/dbraw/zinc/33/06/01/490330601.db2.gz RTTFLWXHLMDPNQ-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000422456903 490330608 /nfs/dbraw/zinc/33/06/08/490330608.db2.gz RTTFLWXHLMDPNQ-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@@H](C)O1 ZINC000467694737 490331026 /nfs/dbraw/zinc/33/10/26/490331026.db2.gz PEXFFHZLTDIBCK-WVDLQDBSSA-N 2 2 363.502 0.901 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000564655702 491318102 /nfs/dbraw/zinc/31/81/02/491318102.db2.gz KMJBBIYCLJIIEK-ROUUACIJSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000564655702 491318107 /nfs/dbraw/zinc/31/81/07/491318107.db2.gz KMJBBIYCLJIIEK-ROUUACIJSA-N 2 2 358.486 0.569 20 0 FCADLP CC(C)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508527715 490335394 /nfs/dbraw/zinc/33/53/94/490335394.db2.gz ILWTXSRSGQVJJG-KURKYZTESA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508527715 490335402 /nfs/dbraw/zinc/33/54/02/490335402.db2.gz ILWTXSRSGQVJJG-KURKYZTESA-N 2 2 354.539 0.874 20 0 FCADLP CNc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000467795250 490341728 /nfs/dbraw/zinc/34/17/28/490341728.db2.gz MGHBYXKPOPFRHJ-HUUCEWRRSA-N 3 2 362.526 0.396 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508729843 490353583 /nfs/dbraw/zinc/35/35/83/490353583.db2.gz LCRIXWXMSIJFRP-MRXNPFEDSA-N 2 2 363.462 0.021 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000498859553 490354508 /nfs/dbraw/zinc/35/45/08/490354508.db2.gz NVPLSEKCDGASDW-INIZCTEOSA-N 2 2 374.489 0.003 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000498859553 490354517 /nfs/dbraw/zinc/35/45/17/490354517.db2.gz NVPLSEKCDGASDW-INIZCTEOSA-N 2 2 374.489 0.003 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000422488890 490355165 /nfs/dbraw/zinc/35/51/65/490355165.db2.gz KVEWRMHRMXSGMP-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000422488890 490355169 /nfs/dbraw/zinc/35/51/69/490355169.db2.gz KVEWRMHRMXSGMP-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000422488890 490355173 /nfs/dbraw/zinc/35/51/73/490355173.db2.gz KVEWRMHRMXSGMP-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000422488890 490355179 /nfs/dbraw/zinc/35/51/79/490355179.db2.gz KVEWRMHRMXSGMP-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H](O)C[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468090416 490364588 /nfs/dbraw/zinc/36/45/88/490364588.db2.gz UTLIYHQVYRDVRJ-CRAIPNDOSA-N 2 2 368.522 0.726 20 0 FCADLP CC[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000448684956 490373607 /nfs/dbraw/zinc/37/36/07/490373607.db2.gz RNLZMKGTGWFGHQ-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000448684956 490373622 /nfs/dbraw/zinc/37/36/22/490373622.db2.gz RNLZMKGTGWFGHQ-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnccn1 ZINC000571670350 491322056 /nfs/dbraw/zinc/32/20/56/491322056.db2.gz AOLLGAFCLUFDIV-KRWDZBQOSA-N 2 2 355.442 0.215 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cnccn1 ZINC000571670350 491322057 /nfs/dbraw/zinc/32/20/57/491322057.db2.gz AOLLGAFCLUFDIV-KRWDZBQOSA-N 2 2 355.442 0.215 20 0 FCADLP COC1([C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000422530690 490384197 /nfs/dbraw/zinc/38/41/97/490384197.db2.gz RFOBZKPRJAJUBJ-HNNXBMFYSA-N 2 2 368.522 0.545 20 0 FCADLP COC1([C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000422530690 490384208 /nfs/dbraw/zinc/38/42/08/490384208.db2.gz RFOBZKPRJAJUBJ-HNNXBMFYSA-N 2 2 368.522 0.545 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000484172451 490392531 /nfs/dbraw/zinc/39/25/31/490392531.db2.gz LGBNZKUOSWBAKP-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000534665125 490395595 /nfs/dbraw/zinc/39/55/95/490395595.db2.gz MQKORKBOWSMNTQ-QAPCUYQASA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000534665125 490395602 /nfs/dbraw/zinc/39/56/02/490395602.db2.gz MQKORKBOWSMNTQ-QAPCUYQASA-N 2 2 358.486 0.976 20 0 FCADLP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684334 491322996 /nfs/dbraw/zinc/32/29/96/491322996.db2.gz HREGYJZJUKTXBL-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684334 491322997 /nfs/dbraw/zinc/32/29/97/491322997.db2.gz HREGYJZJUKTXBL-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP COC(=O)Cn1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000449020936 490398949 /nfs/dbraw/zinc/39/89/49/490398949.db2.gz RFBCHELJOVXREA-GJZGRUSLSA-N 2 2 365.478 0.772 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845769 490416460 /nfs/dbraw/zinc/41/64/60/490416460.db2.gz FSVMWHDSAQQMRK-OKZBNKHCSA-N 2 2 362.474 0.252 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845769 490416467 /nfs/dbraw/zinc/41/64/67/490416467.db2.gz FSVMWHDSAQQMRK-OKZBNKHCSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000534845769 490416471 /nfs/dbraw/zinc/41/64/71/490416471.db2.gz FSVMWHDSAQQMRK-OKZBNKHCSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534845769 490416477 /nfs/dbraw/zinc/41/64/77/490416477.db2.gz FSVMWHDSAQQMRK-OKZBNKHCSA-N 2 2 362.474 0.252 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000535020029 490439185 /nfs/dbraw/zinc/43/91/85/490439185.db2.gz XCHPMWYHJSMJSY-RDJZCZTQSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000535020029 490439193 /nfs/dbraw/zinc/43/91/93/490439193.db2.gz XCHPMWYHJSMJSY-RDJZCZTQSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000535020029 490439198 /nfs/dbraw/zinc/43/91/98/490439198.db2.gz XCHPMWYHJSMJSY-RDJZCZTQSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000535020029 490439204 /nfs/dbraw/zinc/43/92/04/490439204.db2.gz XCHPMWYHJSMJSY-RDJZCZTQSA-N 2 2 371.441 0.917 20 0 FCADLP Cc1cc(C)n2nc(NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)nc2n1 ZINC000484616853 490447934 /nfs/dbraw/zinc/44/79/34/490447934.db2.gz NVLYXEIJVCBBCI-UHFFFAOYSA-N 2 2 360.466 0.889 20 0 FCADLP CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484628579 490449792 /nfs/dbraw/zinc/44/97/92/490449792.db2.gz MWUAFXNGUDVGER-SJORKVTESA-N 2 2 362.474 0.904 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000411408298 490451794 /nfs/dbraw/zinc/45/17/94/490451794.db2.gz MFEKKIBSTVFMAU-UHFFFAOYSA-N 3 2 367.582 0.933 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000411408298 490451801 /nfs/dbraw/zinc/45/18/01/490451801.db2.gz MFEKKIBSTVFMAU-UHFFFAOYSA-N 3 2 367.582 0.933 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000411408298 490451807 /nfs/dbraw/zinc/45/18/07/490451807.db2.gz MFEKKIBSTVFMAU-UHFFFAOYSA-N 3 2 367.582 0.933 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000411408298 490451811 /nfs/dbraw/zinc/45/18/11/490451811.db2.gz MFEKKIBSTVFMAU-UHFFFAOYSA-N 3 2 367.582 0.933 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411419002 490454884 /nfs/dbraw/zinc/45/48/84/490454884.db2.gz GCWKFGIDUOSUPM-ZDUSSCGKSA-N 2 2 359.430 0.576 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411419002 490454885 /nfs/dbraw/zinc/45/48/85/490454885.db2.gz GCWKFGIDUOSUPM-ZDUSSCGKSA-N 2 2 359.430 0.576 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000523376738 490459712 /nfs/dbraw/zinc/45/97/12/490459712.db2.gz JTOQERNCRFOSBE-UHFFFAOYSA-N 2 2 356.430 0.847 20 0 FCADLP CN(C)c1nc(NCCCC[NH+]2CCN(CCO)CC2)[nH+]c2ccccc21 ZINC000450330220 490461697 /nfs/dbraw/zinc/46/16/97/490461697.db2.gz IFRMLYITRMGXOJ-UHFFFAOYSA-N 2 2 372.517 1.498 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C[NH+]1CCOCC1 ZINC000523513426 490470922 /nfs/dbraw/zinc/47/09/22/490470922.db2.gz CXFSXALBNCCUGL-INIZCTEOSA-N 2 2 364.494 0.216 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755785 490471720 /nfs/dbraw/zinc/47/17/20/490471720.db2.gz HBGQHFWDXWAESN-GXTWGEPZSA-N 2 2 361.895 0.975 20 0 FCADLP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000564822574 491328898 /nfs/dbraw/zinc/32/88/98/491328898.db2.gz GWECUKUNMNLSCY-JKSUJKDBSA-N 2 2 359.536 0.936 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000535314109 490477786 /nfs/dbraw/zinc/47/77/86/490477786.db2.gz OKKWLXQXTLEKQD-LBPRGKRZSA-N 2 2 363.443 0.496 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000535314109 490477789 /nfs/dbraw/zinc/47/77/89/490477789.db2.gz OKKWLXQXTLEKQD-LBPRGKRZSA-N 2 2 363.443 0.496 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990324 490487489 /nfs/dbraw/zinc/48/74/89/490487489.db2.gz SZBJTPJVYCNXAV-VNHYZAJKSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990324 490487498 /nfs/dbraw/zinc/48/74/98/490487498.db2.gz SZBJTPJVYCNXAV-VNHYZAJKSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990323 490487526 /nfs/dbraw/zinc/48/75/26/490487526.db2.gz SZBJTPJVYCNXAV-KCQAQPDRSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990323 490487533 /nfs/dbraw/zinc/48/75/33/490487533.db2.gz SZBJTPJVYCNXAV-KCQAQPDRSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422910355 490496133 /nfs/dbraw/zinc/49/61/33/490496133.db2.gz HUXGQIMHHGPMFD-FGTMMUONSA-N 3 2 352.523 0.820 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394143 490510822 /nfs/dbraw/zinc/51/08/22/490510822.db2.gz OOLDISZJUHCXSH-HZPDHXFCSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000500394143 490510826 /nfs/dbraw/zinc/51/08/26/490510826.db2.gz OOLDISZJUHCXSH-HZPDHXFCSA-N 3 2 355.527 0.109 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c(C)s1 ZINC000423000540 490514214 /nfs/dbraw/zinc/51/42/14/490514214.db2.gz VKDCXSMWISTYQO-BXUZGUMPSA-N 2 2 361.533 1.000 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CC2)C1=O ZINC000564878430 491332732 /nfs/dbraw/zinc/33/27/32/491332732.db2.gz ZZZYJCOBXXYNBK-QGZVFWFLSA-N 2 2 368.441 0.692 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500436062 490516242 /nfs/dbraw/zinc/51/62/42/490516242.db2.gz PZGRXXPSQSZQIV-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500436062 490516247 /nfs/dbraw/zinc/51/62/47/490516247.db2.gz PZGRXXPSQSZQIV-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423009467 490517659 /nfs/dbraw/zinc/51/76/59/490517659.db2.gz CXQLRHXHNKEWRZ-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535726947 490518327 /nfs/dbraw/zinc/51/83/27/490518327.db2.gz OETCRKKKLXHWNL-FUHWJXTLSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535726947 490518331 /nfs/dbraw/zinc/51/83/31/490518331.db2.gz OETCRKKKLXHWNL-FUHWJXTLSA-N 2 2 362.522 0.336 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423013140 490518949 /nfs/dbraw/zinc/51/89/49/490518949.db2.gz FFCLABCVNGEXEK-LSDHHAIUSA-N 2 2 362.499 0.460 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423013134 490519289 /nfs/dbraw/zinc/51/92/89/490519289.db2.gz FFCLABCVNGEXEK-CABCVRRESA-N 2 2 362.499 0.460 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000423015010 490519873 /nfs/dbraw/zinc/51/98/73/490519873.db2.gz JVKDSAZXUHATRC-UHFFFAOYSA-N 2 2 364.515 0.850 20 0 FCADLP O=C(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000535747522 490521283 /nfs/dbraw/zinc/52/12/83/490521283.db2.gz UKBMGYYJMSXMQT-MRXNPFEDSA-N 2 2 357.458 0.427 20 0 FCADLP O=C(CC[N@H+]1CCN2C(=O)CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000535747522 490521290 /nfs/dbraw/zinc/52/12/90/490521290.db2.gz UKBMGYYJMSXMQT-MRXNPFEDSA-N 2 2 357.458 0.427 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423018282 490521433 /nfs/dbraw/zinc/52/14/33/490521433.db2.gz QOSBEJIQAZVANU-ZIAGYGMSSA-N 2 2 350.488 0.588 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000423021700 490523009 /nfs/dbraw/zinc/52/30/09/490523009.db2.gz GBERJBDVJRIVEA-UHFFFAOYSA-N 2 2 374.485 0.407 20 0 FCADLP C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](C)CC2(C)C)C(C)(C)C1 ZINC000500506980 490528378 /nfs/dbraw/zinc/52/83/78/490528378.db2.gz CDVMRIIQIBFWQS-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP C[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](C)CC2(C)C)C(C)(C)C1 ZINC000500506980 490528386 /nfs/dbraw/zinc/52/83/86/490528386.db2.gz CDVMRIIQIBFWQS-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423042659 490528787 /nfs/dbraw/zinc/52/87/87/490528787.db2.gz ZWBKSDJNAGJGDC-OAHLLOKOSA-N 2 2 362.449 0.680 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000423042659 490528791 /nfs/dbraw/zinc/52/87/91/490528791.db2.gz ZWBKSDJNAGJGDC-OAHLLOKOSA-N 2 2 362.449 0.680 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059942 490533788 /nfs/dbraw/zinc/53/37/88/490533788.db2.gz GVVCXWFIPRHBKM-LSDHHAIUSA-N 2 2 352.479 0.988 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536018580 490547327 /nfs/dbraw/zinc/54/73/27/490547327.db2.gz UUAYADMYTWKNLE-INIZCTEOSA-N 2 2 351.520 0.821 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536018580 490547331 /nfs/dbraw/zinc/54/73/31/490547331.db2.gz UUAYADMYTWKNLE-INIZCTEOSA-N 2 2 351.520 0.821 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000564909969 491335176 /nfs/dbraw/zinc/33/51/76/491335176.db2.gz RHKRJCASVXRKJY-INIZCTEOSA-N 2 2 359.474 0.802 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H](C)O1 ZINC000500760845 490549510 /nfs/dbraw/zinc/54/95/10/490549510.db2.gz ACJHMXDDZMIHEX-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000524685221 490551193 /nfs/dbraw/zinc/55/11/93/490551193.db2.gz MUYJEBWFJZIJCQ-UHFFFAOYSA-N 2 2 371.445 0.335 20 0 FCADLP CC(=O)NCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C)s1 ZINC000549151745 490567893 /nfs/dbraw/zinc/56/78/93/490567893.db2.gz ZSNIRVPKBXNISO-UHFFFAOYSA-N 2 2 352.504 0.769 20 0 FCADLP CC(=O)NCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C)s1 ZINC000549151745 490567894 /nfs/dbraw/zinc/56/78/94/490567894.db2.gz ZSNIRVPKBXNISO-UHFFFAOYSA-N 2 2 352.504 0.769 20 0 FCADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486026321 490585333 /nfs/dbraw/zinc/58/53/33/490585333.db2.gz FHFPTKKATJGXFV-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486026321 490585336 /nfs/dbraw/zinc/58/53/36/490585336.db2.gz FHFPTKKATJGXFV-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000564930724 491337714 /nfs/dbraw/zinc/33/77/14/491337714.db2.gz WGDYYNUFJSHNBD-HZPDHXFCSA-N 2 2 355.479 0.141 20 0 FCADLP CC(C)NC(=O)CN(C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000501267360 490593312 /nfs/dbraw/zinc/59/33/12/490593312.db2.gz UZYCLCWALGLVCM-UHFFFAOYSA-N 2 2 367.538 0.118 20 0 FCADLP CC[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000549770241 490603452 /nfs/dbraw/zinc/60/34/52/490603452.db2.gz SWZYOIAZARUXSB-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000549770241 490603458 /nfs/dbraw/zinc/60/34/58/490603458.db2.gz SWZYOIAZARUXSB-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H](C)[N@H+]1C ZINC000571978266 491340843 /nfs/dbraw/zinc/34/08/43/491340843.db2.gz NCURAFJNJPTYHU-GASCZTMLSA-N 2 2 364.515 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H](C)[N@@H+]1C ZINC000571978266 491340844 /nfs/dbraw/zinc/34/08/44/491340844.db2.gz NCURAFJNJPTYHU-GASCZTMLSA-N 2 2 364.515 0.943 20 0 FCADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443037 490626155 /nfs/dbraw/zinc/62/61/55/490626155.db2.gz FNDKPUKUOCYKRQ-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443037 490626160 /nfs/dbraw/zinc/62/61/60/490626160.db2.gz FNDKPUKUOCYKRQ-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486447859 490629007 /nfs/dbraw/zinc/62/90/07/490629007.db2.gz FTCWVPYNHRPVLF-HNNXBMFYSA-N 2 2 360.458 0.838 20 0 FCADLP COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486447859 490629012 /nfs/dbraw/zinc/62/90/12/490629012.db2.gz FTCWVPYNHRPVLF-HNNXBMFYSA-N 2 2 360.458 0.838 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000486460367 490632980 /nfs/dbraw/zinc/63/29/80/490632980.db2.gz MQUHFJBJSKLFRE-CQSZACIVSA-N 2 2 355.442 0.774 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000486460367 490632984 /nfs/dbraw/zinc/63/29/84/490632984.db2.gz MQUHFJBJSKLFRE-CQSZACIVSA-N 2 2 355.442 0.774 20 0 FCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486462890 490634423 /nfs/dbraw/zinc/63/44/23/490634423.db2.gz QZSUBJROTLDYFM-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486462890 490634426 /nfs/dbraw/zinc/63/44/26/490634426.db2.gz QZSUBJROTLDYFM-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486470344 490637258 /nfs/dbraw/zinc/63/72/58/490637258.db2.gz PTLUAJNFHNQRNW-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486470344 490637264 /nfs/dbraw/zinc/63/72/64/490637264.db2.gz PTLUAJNFHNQRNW-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486469771 490637319 /nfs/dbraw/zinc/63/73/19/490637319.db2.gz OTKPCHIZZKGUKI-OAHLLOKOSA-N 2 2 370.453 0.569 20 0 FCADLP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486469771 490637325 /nfs/dbraw/zinc/63/73/25/490637325.db2.gz OTKPCHIZZKGUKI-OAHLLOKOSA-N 2 2 370.453 0.569 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000550199149 490639743 /nfs/dbraw/zinc/63/97/43/490639743.db2.gz TUUATXSREUDCCV-MRXNPFEDSA-N 2 2 366.425 0.947 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCCO1 ZINC000572013343 491342971 /nfs/dbraw/zinc/34/29/71/491342971.db2.gz UTOFAFUCLRLDON-QZTJIDSGSA-N 2 2 362.474 0.819 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000501936843 490657384 /nfs/dbraw/zinc/65/73/84/490657384.db2.gz GCVYQIQUXGNXIV-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@H]4NC(=O)C4(C)C)CC3)cn2)CC1 ZINC000572016033 491343304 /nfs/dbraw/zinc/34/33/04/491343304.db2.gz PKNCXMRGFQZWRN-QGZVFWFLSA-N 2 2 372.517 0.965 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000550361343 490664264 /nfs/dbraw/zinc/66/42/64/490664264.db2.gz ATCCTWOPHYREOI-LSDHHAIUSA-N 2 2 354.495 0.201 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000564987670 491343730 /nfs/dbraw/zinc/34/37/30/491343730.db2.gz DVFOUNLDHXQZQD-KCPJHIHWSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000564987670 491343731 /nfs/dbraw/zinc/34/37/31/491343731.db2.gz DVFOUNLDHXQZQD-KCPJHIHWSA-N 2 2 352.460 0.332 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000572028852 491343829 /nfs/dbraw/zinc/34/38/29/491343829.db2.gz IIUZKMUBOZZMND-RKVPGOIHSA-N 2 2 370.515 0.791 20 0 FCADLP CS[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1[NH+](C)C ZINC000537290182 490666550 /nfs/dbraw/zinc/66/65/50/490666550.db2.gz IIAUZKWEHRMMSX-IAGOWNOFSA-N 2 2 366.531 0.901 20 0 FCADLP C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000526064519 490671693 /nfs/dbraw/zinc/67/16/93/490671693.db2.gz CTPKFSRUKLAEPZ-FHXWZAGWSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000526064519 490671696 /nfs/dbraw/zinc/67/16/96/490671696.db2.gz CTPKFSRUKLAEPZ-FHXWZAGWSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000526064519 490671698 /nfs/dbraw/zinc/67/16/98/490671698.db2.gz CTPKFSRUKLAEPZ-FHXWZAGWSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000526064519 490671700 /nfs/dbraw/zinc/67/17/00/490671700.db2.gz CTPKFSRUKLAEPZ-FHXWZAGWSA-N 2 2 362.518 0.937 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000502094329 490676472 /nfs/dbraw/zinc/67/64/72/490676472.db2.gz CTTUYWMBEIXDSZ-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000502094329 490676476 /nfs/dbraw/zinc/67/64/76/490676476.db2.gz CTTUYWMBEIXDSZ-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000527033862 490693509 /nfs/dbraw/zinc/69/35/09/490693509.db2.gz DPYHSWUTTJUPDK-CQSZACIVSA-N 2 2 366.491 0.551 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000572104842 491348809 /nfs/dbraw/zinc/34/88/09/491348809.db2.gz VFEBRVOQDFBBRP-UHFFFAOYSA-N 2 2 361.490 0.428 20 0 FCADLP C[C@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305482 490715497 /nfs/dbraw/zinc/71/54/97/490715497.db2.gz BQCVYUXAZLTSRA-JMXUMUKBSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305482 490715499 /nfs/dbraw/zinc/71/54/99/490715499.db2.gz BQCVYUXAZLTSRA-JMXUMUKBSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000527305482 490715505 /nfs/dbraw/zinc/71/55/05/490715505.db2.gz BQCVYUXAZLTSRA-JMXUMUKBSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000527305482 490715512 /nfs/dbraw/zinc/71/55/12/490715512.db2.gz BQCVYUXAZLTSRA-JMXUMUKBSA-N 2 2 362.518 0.794 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000502836655 490723741 /nfs/dbraw/zinc/72/37/41/490723741.db2.gz YNJBZHLFVWNIES-ZWKOTPCHSA-N 2 2 374.485 0.962 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502851744 490725145 /nfs/dbraw/zinc/72/51/45/490725145.db2.gz SFETZBCTMYEYEW-OAGGEKHMSA-N 2 2 359.474 0.623 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000502851438 490725355 /nfs/dbraw/zinc/72/53/55/490725355.db2.gz MEVWWUYELVILRP-ZWKOTPCHSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000557035157 491350231 /nfs/dbraw/zinc/35/02/31/491350231.db2.gz QSOZMBZGPBNABD-UHFFFAOYSA-N 2 2 370.457 1.505 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000557040518 491350452 /nfs/dbraw/zinc/35/04/52/491350452.db2.gz UFDDYJPLNZSZGJ-UHFFFAOYSA-N 2 2 352.402 0.856 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513499128 490735572 /nfs/dbraw/zinc/73/55/72/490735572.db2.gz LDHVNUKNKLYHJW-GJZGRUSLSA-N 2 2 356.511 0.258 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000503063693 490737499 /nfs/dbraw/zinc/73/74/99/490737499.db2.gz USDXSIXWYIZXLX-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000503063693 490737501 /nfs/dbraw/zinc/73/75/01/490737501.db2.gz USDXSIXWYIZXLX-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000538626989 490741271 /nfs/dbraw/zinc/74/12/71/490741271.db2.gz CHEFIQKNAMAIFD-UHFFFAOYSA-N 2 2 361.490 0.534 20 0 FCADLP CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000538626989 490741276 /nfs/dbraw/zinc/74/12/76/490741276.db2.gz CHEFIQKNAMAIFD-UHFFFAOYSA-N 2 2 361.490 0.534 20 0 FCADLP CCNC(=O)C1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000488262861 490752340 /nfs/dbraw/zinc/75/23/40/490752340.db2.gz IYNXARMYIGSXCI-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP CCNC(=O)C1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000488262861 490752343 /nfs/dbraw/zinc/75/23/43/490752343.db2.gz IYNXARMYIGSXCI-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP CC[N@H+](CCOCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503411867 490754478 /nfs/dbraw/zinc/75/44/78/490754478.db2.gz RLFTYJZNNZMYFW-UHFFFAOYSA-N 2 2 350.463 0.451 20 0 FCADLP CC[N@@H+](CCOCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503411867 490754483 /nfs/dbraw/zinc/75/44/83/490754483.db2.gz RLFTYJZNNZMYFW-UHFFFAOYSA-N 2 2 350.463 0.451 20 0 FCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572154224 491352489 /nfs/dbraw/zinc/35/24/89/491352489.db2.gz ICHBJLANAFVNBZ-GOSISDBHSA-N 2 2 353.470 0.980 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527746104 490756514 /nfs/dbraw/zinc/75/65/14/490756514.db2.gz OXEXOQCJBZNYPQ-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP COc1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1S(N)(=O)=O ZINC000539065888 490763058 /nfs/dbraw/zinc/76/30/58/490763058.db2.gz KXJHCZKSQWLGQO-SWLSCSKDSA-N 2 2 353.488 0.957 20 0 FCADLP COc1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1S(N)(=O)=O ZINC000539065888 490763062 /nfs/dbraw/zinc/76/30/62/490763062.db2.gz KXJHCZKSQWLGQO-SWLSCSKDSA-N 2 2 353.488 0.957 20 0 FCADLP CC[C@@H](c1nnc(SCCC(N)=O)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000514487028 490769607 /nfs/dbraw/zinc/76/96/07/490769607.db2.gz ITCKDANHBGZUNV-ZDUSSCGKSA-N 2 2 370.523 0.591 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)C[C@@H](C)O1 ZINC000514668234 490779778 /nfs/dbraw/zinc/77/97/78/490779778.db2.gz AUPMNLOJJHTMDP-MCIONIFRSA-N 2 2 371.428 0.754 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000514788548 490788190 /nfs/dbraw/zinc/78/81/90/490788190.db2.gz KLXSBQZHHBEWAN-QGZVFWFLSA-N 3 2 373.501 0.768 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)C[C@@H](C)O1 ZINC000514789514 490788475 /nfs/dbraw/zinc/78/84/75/490788475.db2.gz CIFNXQTULOKPAL-UYTYNIKBSA-N 2 2 356.507 0.614 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)C[C@H](C)O1 ZINC000514789507 490788481 /nfs/dbraw/zinc/78/84/81/490788481.db2.gz CIFNXQTULOKPAL-IGKNDFSCSA-N 2 2 356.507 0.614 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)C[C@H](C)O1 ZINC000514789507 490788484 /nfs/dbraw/zinc/78/84/84/490788484.db2.gz CIFNXQTULOKPAL-IGKNDFSCSA-N 2 2 356.507 0.614 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cccc(F)c1 ZINC000557135680 491355840 /nfs/dbraw/zinc/35/58/40/491355840.db2.gz KICXKFAMRCYWKX-JKSUJKDBSA-N 2 2 360.437 0.851 20 0 FCADLP Cn1cc(C(=O)C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000514857722 490793749 /nfs/dbraw/zinc/79/37/49/490793749.db2.gz CTEZWPGNXXRJCW-UHFFFAOYSA-N 2 2 355.442 0.713 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000514862607 490794217 /nfs/dbraw/zinc/79/42/17/490794217.db2.gz AHHSFWRGIKDVMH-VIQHNZTISA-N 2 2 371.547 0.860 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000514862607 490794218 /nfs/dbraw/zinc/79/42/18/490794218.db2.gz AHHSFWRGIKDVMH-VIQHNZTISA-N 2 2 371.547 0.860 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514947260 490799803 /nfs/dbraw/zinc/79/98/03/490799803.db2.gz SSXTZRJKJQURDX-SFHVURJKSA-N 3 2 356.555 0.275 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514947260 490799805 /nfs/dbraw/zinc/79/98/05/490799805.db2.gz SSXTZRJKJQURDX-SFHVURJKSA-N 3 2 356.555 0.275 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000515016090 490802986 /nfs/dbraw/zinc/80/29/86/490802986.db2.gz PEMREQMTEZPZCB-INMHGKMJSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000515016090 490802990 /nfs/dbraw/zinc/80/29/90/490802990.db2.gz PEMREQMTEZPZCB-INMHGKMJSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCC(=O)N2CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000557144683 491356908 /nfs/dbraw/zinc/35/69/08/491356908.db2.gz OQSAWIOHTZRGLB-INIZCTEOSA-N 2 2 359.474 0.640 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCC(=O)N2CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000557144683 491356909 /nfs/dbraw/zinc/35/69/09/491356909.db2.gz OQSAWIOHTZRGLB-INIZCTEOSA-N 2 2 359.474 0.640 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000515145849 490810179 /nfs/dbraw/zinc/81/01/79/490810179.db2.gz DUMKCJVUWNIPMY-SJORKVTESA-N 2 2 373.501 0.168 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000565169840 491357372 /nfs/dbraw/zinc/35/73/72/491357372.db2.gz BSORXOHYXPKAIS-AWEZNQCLSA-N 2 2 357.462 0.790 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540244914 490810874 /nfs/dbraw/zinc/81/08/74/490810874.db2.gz KQZQGVNOHIZLIF-KFWWJZLASA-N 2 2 370.494 0.421 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244917 490810890 /nfs/dbraw/zinc/81/08/90/490810890.db2.gz KQZQGVNOHIZLIF-ZNMIVQPWSA-N 2 2 370.494 0.421 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244917 490810892 /nfs/dbraw/zinc/81/08/92/490810892.db2.gz KQZQGVNOHIZLIF-ZNMIVQPWSA-N 2 2 370.494 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)C[C@H](C)O1 ZINC000515166393 490811269 /nfs/dbraw/zinc/81/12/69/490811269.db2.gz NMGSXBSRBBJBDA-VNHYZAJKSA-N 2 2 367.881 0.985 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)C[C@H](C)O1 ZINC000515166393 490811271 /nfs/dbraw/zinc/81/12/71/490811271.db2.gz NMGSXBSRBBJBDA-VNHYZAJKSA-N 2 2 367.881 0.985 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000540265925 490812154 /nfs/dbraw/zinc/81/21/54/490812154.db2.gz SZHCLSUSCYLHSJ-CVEARBPZSA-N 2 2 368.503 0.691 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(CCC(N)=O)CC2)CC1 ZINC000504840581 490812636 /nfs/dbraw/zinc/81/26/36/490812636.db2.gz TUEWIZLSFUGOCU-UHFFFAOYSA-N 2 2 353.511 0.700 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@@H+](C2CC2)C1 ZINC000565180974 491357960 /nfs/dbraw/zinc/35/79/60/491357960.db2.gz RPUVFUIWRCQQPN-JCKWVBRZSA-N 2 2 374.489 0.866 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@H+](C2CC2)C1 ZINC000565180974 491357962 /nfs/dbraw/zinc/35/79/62/491357962.db2.gz RPUVFUIWRCQQPN-JCKWVBRZSA-N 2 2 374.489 0.866 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515378934 490822318 /nfs/dbraw/zinc/82/23/18/490822318.db2.gz AWIAOYCARNEZOG-HNNXBMFYSA-N 2 2 371.445 0.192 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000540460171 490823939 /nfs/dbraw/zinc/82/39/39/490823939.db2.gz CZABIHNHULBPSO-KRWDZBQOSA-N 2 2 361.490 0.513 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000540460171 490823941 /nfs/dbraw/zinc/82/39/41/490823941.db2.gz CZABIHNHULBPSO-KRWDZBQOSA-N 2 2 361.490 0.513 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCSC3)CC2)CC1 ZINC000557233580 491361001 /nfs/dbraw/zinc/36/10/01/491361001.db2.gz MHCQMPCMAPXMAP-CQSZACIVSA-N 2 2 368.547 0.531 20 0 FCADLP COC(=O)c1cn(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000515834123 490840112 /nfs/dbraw/zinc/84/01/12/490840112.db2.gz RJQZVBNTEIUCKZ-AWEZNQCLSA-N 2 2 372.429 0.682 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000529309416 490849757 /nfs/dbraw/zinc/84/97/57/490849757.db2.gz VZGGUVYSAXEFTE-LZLYRXPVSA-N 2 2 368.522 0.896 20 0 FCADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC000529375374 490857959 /nfs/dbraw/zinc/85/79/59/490857959.db2.gz GSGYHCBROMDDMN-MJBXVCDLSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC000529375374 490857960 /nfs/dbraw/zinc/85/79/60/490857960.db2.gz GSGYHCBROMDDMN-MJBXVCDLSA-N 2 2 356.467 0.948 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000516553955 490867820 /nfs/dbraw/zinc/86/78/20/490867820.db2.gz AHUIVYUIMVTVMH-TZMCWYRMSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000516553955 490867823 /nfs/dbraw/zinc/86/78/23/490867823.db2.gz AHUIVYUIMVTVMH-TZMCWYRMSA-N 2 2 365.865 0.730 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529753405 490873193 /nfs/dbraw/zinc/87/31/93/490873193.db2.gz RMSVSOTWWSMCNT-AUUYWEPGSA-N 2 2 362.474 0.555 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529753405 490873195 /nfs/dbraw/zinc/87/31/95/490873195.db2.gz RMSVSOTWWSMCNT-AUUYWEPGSA-N 2 2 362.474 0.555 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000529753689 490873568 /nfs/dbraw/zinc/87/35/68/490873568.db2.gz RRRKWIWTYOSKMK-IBGZPJMESA-N 2 2 371.441 0.613 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000529753689 490873571 /nfs/dbraw/zinc/87/35/71/490873571.db2.gz RRRKWIWTYOSKMK-IBGZPJMESA-N 2 2 371.441 0.613 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529755184 490874238 /nfs/dbraw/zinc/87/42/38/490874238.db2.gz ZLFLXRHNRWJZNQ-BEFAXECRSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529755184 490874241 /nfs/dbraw/zinc/87/42/41/490874241.db2.gz ZLFLXRHNRWJZNQ-BEFAXECRSA-N 2 2 362.474 0.486 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000516751416 490876454 /nfs/dbraw/zinc/87/64/54/490876454.db2.gz BLGRPZLGLQFTLE-GDBMZVCRSA-N 2 2 364.515 0.897 20 0 FCADLP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516750722 490876466 /nfs/dbraw/zinc/87/64/66/490876466.db2.gz LVLHBLNUBXGULT-QGFMHUBQSA-N 2 2 369.465 0.967 20 0 FCADLP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516750722 490876467 /nfs/dbraw/zinc/87/64/67/490876467.db2.gz LVLHBLNUBXGULT-QGFMHUBQSA-N 2 2 369.465 0.967 20 0 FCADLP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516750722 490876468 /nfs/dbraw/zinc/87/64/68/490876468.db2.gz LVLHBLNUBXGULT-QGFMHUBQSA-N 2 2 369.465 0.967 20 0 FCADLP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000516750722 490876469 /nfs/dbraw/zinc/87/64/69/490876469.db2.gz LVLHBLNUBXGULT-QGFMHUBQSA-N 2 2 369.465 0.967 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000516751418 490876522 /nfs/dbraw/zinc/87/65/22/490876522.db2.gz BLGRPZLGLQFTLE-HOCLYGCPSA-N 2 2 364.515 0.897 20 0 FCADLP C[C@@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000516862190 490881266 /nfs/dbraw/zinc/88/12/66/490881266.db2.gz OKBFYNGYVPPGLM-AWEZNQCLSA-N 2 2 354.476 0.143 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000542168663 490888058 /nfs/dbraw/zinc/88/80/58/490888058.db2.gz STXZBZNFVDBTLP-HTUJPFKRSA-N 3 2 364.534 0.724 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542168663 490888059 /nfs/dbraw/zinc/88/80/59/490888059.db2.gz STXZBZNFVDBTLP-HTUJPFKRSA-N 3 2 364.534 0.724 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030231 490891811 /nfs/dbraw/zinc/89/18/11/490891811.db2.gz KLPUZAMHIUHINQ-STQMWFEESA-N 2 2 360.414 0.647 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030231 490891813 /nfs/dbraw/zinc/89/18/13/490891813.db2.gz KLPUZAMHIUHINQ-STQMWFEESA-N 2 2 360.414 0.647 20 0 FCADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cn1C ZINC000517436585 490908974 /nfs/dbraw/zinc/90/89/74/490908974.db2.gz WPEOTXTVHGYUGQ-UHFFFAOYSA-N 2 2 350.463 0.844 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000530577016 490913959 /nfs/dbraw/zinc/91/39/59/490913959.db2.gz MAYJNIJHJMKKLR-SFHVURJKSA-N 2 2 351.539 0.252 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 ZINC000530654428 490917965 /nfs/dbraw/zinc/91/79/65/490917965.db2.gz VWMVABQQSJONEL-UHFFFAOYSA-N 2 2 371.485 0.882 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759966 490920085 /nfs/dbraw/zinc/92/00/85/490920085.db2.gz XOGVSFVHJBVLAH-TZMCWYRMSA-N 2 2 368.384 0.148 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759966 490920086 /nfs/dbraw/zinc/92/00/86/490920086.db2.gz XOGVSFVHJBVLAH-TZMCWYRMSA-N 2 2 368.384 0.148 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000517783997 490921140 /nfs/dbraw/zinc/92/11/40/490921140.db2.gz FYOFDKWANSQLIO-SJLPKXTDSA-N 2 2 352.523 0.460 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000517783997 490921141 /nfs/dbraw/zinc/92/11/41/490921141.db2.gz FYOFDKWANSQLIO-SJLPKXTDSA-N 2 2 352.523 0.460 20 0 FCADLP C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000530818076 490926467 /nfs/dbraw/zinc/92/64/67/490926467.db2.gz ZCXCHVHWEMTWSA-ABSDTBQOSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000530818076 490926468 /nfs/dbraw/zinc/92/64/68/490926468.db2.gz ZCXCHVHWEMTWSA-ABSDTBQOSA-N 2 2 361.486 0.849 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000517964576 490926522 /nfs/dbraw/zinc/92/65/22/490926522.db2.gz GRYPDSIRGIHIEF-UONOGXRCSA-N 2 2 374.445 0.002 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCCCS3(=O)=O)cn2)CC1 ZINC000543237958 490927000 /nfs/dbraw/zinc/92/70/00/490927000.db2.gz DRQFTUPHRJGSQQ-OAHLLOKOSA-N 2 2 353.492 0.285 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292654 491365617 /nfs/dbraw/zinc/36/56/17/491365617.db2.gz YWASZWFPGWVCFM-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292654 491365618 /nfs/dbraw/zinc/36/56/18/491365618.db2.gz YWASZWFPGWVCFM-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP O=C(C1CCC1)N1CC[NH+](CCNc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000543692882 490941939 /nfs/dbraw/zinc/94/19/39/490941939.db2.gz HHQNQAHTVWHFPY-UHFFFAOYSA-N 2 2 374.489 0.669 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246096 490947790 /nfs/dbraw/zinc/94/77/90/490947790.db2.gz GGQRYDZDILSXSK-HZPDHXFCSA-N 2 2 365.522 0.711 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246096 490947792 /nfs/dbraw/zinc/94/77/92/490947792.db2.gz GGQRYDZDILSXSK-HZPDHXFCSA-N 2 2 365.522 0.711 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000518735936 490949665 /nfs/dbraw/zinc/94/96/65/490949665.db2.gz IYRLOOYBUVYJOA-MRXNPFEDSA-N 2 2 365.522 0.714 20 0 FCADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000518757959 490950098 /nfs/dbraw/zinc/95/00/98/490950098.db2.gz PSJLPGYJRNNHRA-IBGZPJMESA-N 3 2 357.502 0.672 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000519631095 490980117 /nfs/dbraw/zinc/98/01/17/490980117.db2.gz BKTQKEGWEKWWRO-CVEARBPZSA-N 2 2 359.478 0.135 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000519690935 490984352 /nfs/dbraw/zinc/98/43/52/490984352.db2.gz PTNHFOVNPKKDGQ-UKRRQHHQSA-N 2 2 372.477 0.712 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1C ZINC000532171996 490989204 /nfs/dbraw/zinc/98/92/04/490989204.db2.gz YUDCGADPMHKJQR-HZPDHXFCSA-N 2 2 364.494 0.929 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000532343158 490991390 /nfs/dbraw/zinc/99/13/90/490991390.db2.gz GHRXANXEVBJZGD-MSOLQXFVSA-N 2 2 351.539 0.249 20 0 FCADLP CCn1c(N)c(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=O)[nH]c1=O ZINC000532537739 490993791 /nfs/dbraw/zinc/99/37/91/490993791.db2.gz DKSAXUARWDSKCV-UHFFFAOYSA-N 2 2 365.478 0.786 20 0 FCADLP CCn1c(N)c(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=O)[nH]c1=O ZINC000532537739 490993792 /nfs/dbraw/zinc/99/37/92/490993792.db2.gz DKSAXUARWDSKCV-UHFFFAOYSA-N 2 2 365.478 0.786 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000612482892 491923903 /nfs/dbraw/zinc/92/39/03/491923903.db2.gz SEMQEMXWFIJPTR-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CNC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000601479910 491926043 /nfs/dbraw/zinc/92/60/43/491926043.db2.gz YEGNLILGSPYYDL-MRXNPFEDSA-N 2 2 359.474 0.682 20 0 FCADLP CNC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000601479910 491926044 /nfs/dbraw/zinc/92/60/44/491926044.db2.gz YEGNLILGSPYYDL-MRXNPFEDSA-N 2 2 359.474 0.682 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000613997393 492009201 /nfs/dbraw/zinc/00/92/01/492009201.db2.gz XWPYDESJVRLVOR-QZTJIDSGSA-N 2 2 358.486 0.491 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554062147 491174456 /nfs/dbraw/zinc/17/44/56/491174456.db2.gz RTGRBACTUPQSSH-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000569641606 491177504 /nfs/dbraw/zinc/17/75/04/491177504.db2.gz SRBZMEGLEDSALE-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569641606 491177507 /nfs/dbraw/zinc/17/75/07/491177507.db2.gz SRBZMEGLEDSALE-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000569698681 491182424 /nfs/dbraw/zinc/18/24/24/491182424.db2.gz SBIGURFTRKKJPZ-QWQRMKEZSA-N 2 2 351.495 0.308 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000569713558 491184846 /nfs/dbraw/zinc/18/48/46/491184846.db2.gz UPYZMRIIFVNORA-PKOBYXMFSA-N 2 2 370.497 0.707 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000562774166 491188173 /nfs/dbraw/zinc/18/81/73/491188173.db2.gz CEVAZJHYFYPKQQ-UHFFFAOYSA-N 2 2 354.414 0.786 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CCN2C1=O ZINC000572499170 491374597 /nfs/dbraw/zinc/37/45/97/491374597.db2.gz ZNAROFLKNUHZBI-LSDHHAIUSA-N 2 2 358.446 0.135 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000572546378 491377715 /nfs/dbraw/zinc/37/77/15/491377715.db2.gz YNVDLBSDLQVRMC-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000572546378 491377716 /nfs/dbraw/zinc/37/77/16/491377716.db2.gz YNVDLBSDLQVRMC-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000565479743 491379570 /nfs/dbraw/zinc/37/95/70/491379570.db2.gz LWVARPBWNXPXDZ-MCIONIFRSA-N 2 2 365.482 0.287 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000557581031 491385248 /nfs/dbraw/zinc/38/52/48/491385248.db2.gz KAXIOWYKDBJGLD-UONOGXRCSA-N 2 2 372.473 0.970 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557703603 491392264 /nfs/dbraw/zinc/39/22/64/491392264.db2.gz FCWKWLVYYFRUQL-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557703603 491392266 /nfs/dbraw/zinc/39/22/66/491392266.db2.gz FCWKWLVYYFRUQL-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccccc1F ZINC000572855427 491398173 /nfs/dbraw/zinc/39/81/73/491398173.db2.gz VLPZYIFLMVZEAW-INIZCTEOSA-N 2 2 360.437 0.853 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565788547 491399902 /nfs/dbraw/zinc/39/99/02/491399902.db2.gz UHPRBXKYAXKBJM-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565788547 491399904 /nfs/dbraw/zinc/39/99/04/491399904.db2.gz UHPRBXKYAXKBJM-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000572956527 491403804 /nfs/dbraw/zinc/40/38/04/491403804.db2.gz NINGMYZSLCTZGO-SQNIBIBYSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000572956527 491403805 /nfs/dbraw/zinc/40/38/05/491403805.db2.gz NINGMYZSLCTZGO-SQNIBIBYSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000572979684 491405546 /nfs/dbraw/zinc/40/55/46/491405546.db2.gz WGYDSEXKIGAQQL-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]21 ZINC000565892797 491405852 /nfs/dbraw/zinc/40/58/52/491405852.db2.gz SQDLTYPFELXWMO-NJZAAPMLSA-N 2 2 359.409 0.799 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]21 ZINC000565892797 491405854 /nfs/dbraw/zinc/40/58/54/491405854.db2.gz SQDLTYPFELXWMO-NJZAAPMLSA-N 2 2 359.409 0.799 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000565971964 491410200 /nfs/dbraw/zinc/41/02/00/491410200.db2.gz JTVZTFIJQJWMHH-CVEARBPZSA-N 2 2 361.490 0.985 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000565971964 491410202 /nfs/dbraw/zinc/41/02/02/491410202.db2.gz JTVZTFIJQJWMHH-CVEARBPZSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000558133640 491416009 /nfs/dbraw/zinc/41/60/09/491416009.db2.gz WRZLBTYPAVHNGL-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000558140892 491416341 /nfs/dbraw/zinc/41/63/41/491416341.db2.gz OUYKNNZQIGNLQQ-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000566128329 491419266 /nfs/dbraw/zinc/41/92/66/491419266.db2.gz AHYJPSDFUQKCGH-MBNYWOFBSA-N 2 2 361.284 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000566128329 491419268 /nfs/dbraw/zinc/41/92/68/491419268.db2.gz AHYJPSDFUQKCGH-MBNYWOFBSA-N 2 2 361.284 0.705 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000566242796 491429646 /nfs/dbraw/zinc/42/96/46/491429646.db2.gz JDVCEPBZLXPIQB-ZWKOTPCHSA-N 2 2 364.534 0.929 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000566242796 491429647 /nfs/dbraw/zinc/42/96/47/491429647.db2.gz JDVCEPBZLXPIQB-ZWKOTPCHSA-N 2 2 364.534 0.929 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000573429389 491432782 /nfs/dbraw/zinc/43/27/82/491432782.db2.gz CGXBNIZGXJDSKS-RDTXWAMCSA-N 2 2 351.495 0.370 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000566286705 491433119 /nfs/dbraw/zinc/43/31/19/491433119.db2.gz RDEUKLHAPFLOAZ-BETUJISGSA-N 2 2 352.460 0.299 20 0 FCADLP O=S(=O)(Cc1ccccc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000573491289 491436894 /nfs/dbraw/zinc/43/68/94/491436894.db2.gz DBLGHRSFOKAECR-UHFFFAOYSA-N 2 2 352.504 0.039 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000566368120 491439548 /nfs/dbraw/zinc/43/95/48/491439548.db2.gz RPJPKXAXUVRBHR-HOTGVXAUSA-N 2 2 373.432 0.872 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000566436147 491443194 /nfs/dbraw/zinc/44/31/94/491443194.db2.gz AMUOUXNIOLZDPJ-QGZVFWFLSA-N 2 2 367.519 0.382 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566441874 491443761 /nfs/dbraw/zinc/44/37/61/491443761.db2.gz LHRSTZMNJGLGMW-RTBURBONSA-N 2 2 361.486 0.660 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566441874 491443762 /nfs/dbraw/zinc/44/37/62/491443762.db2.gz LHRSTZMNJGLGMW-RTBURBONSA-N 2 2 361.486 0.660 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccn12 ZINC000566442744 491444081 /nfs/dbraw/zinc/44/40/81/491444081.db2.gz UPVTVZRHBRYBGL-INIZCTEOSA-N 2 2 371.441 0.306 20 0 FCADLP C[C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000573697310 491449290 /nfs/dbraw/zinc/44/92/90/491449290.db2.gz RBZDBLARLXBJHK-INIZCTEOSA-N 2 2 359.474 0.577 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000573786173 491454682 /nfs/dbraw/zinc/45/46/82/491454682.db2.gz FVTQWGVETURJKO-GJZGRUSLSA-N 2 2 351.495 0.370 20 0 FCADLP CCC(CC)[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[NH+]1CCOCC1 ZINC000573963421 491466188 /nfs/dbraw/zinc/46/61/88/491466188.db2.gz RFTODDXRXBHRAK-AWEZNQCLSA-N 2 2 365.482 0.290 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000559348410 491466468 /nfs/dbraw/zinc/46/64/68/491466468.db2.gz LEMOVXHNPRKNHR-QGZVFWFLSA-N 2 2 355.442 0.905 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000559348410 491466471 /nfs/dbraw/zinc/46/64/71/491466471.db2.gz LEMOVXHNPRKNHR-QGZVFWFLSA-N 2 2 355.442 0.905 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+]1C ZINC000559360640 491467118 /nfs/dbraw/zinc/46/71/18/491467118.db2.gz MKIHDHOUSYUMDZ-GJZGRUSLSA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000559360640 491467121 /nfs/dbraw/zinc/46/71/21/491467121.db2.gz MKIHDHOUSYUMDZ-GJZGRUSLSA-N 2 2 350.463 0.797 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000574035375 491470102 /nfs/dbraw/zinc/47/01/02/491470102.db2.gz PORAJKMWWAFFIX-JKSUJKDBSA-N 2 2 361.442 0.479 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000559401417 491470626 /nfs/dbraw/zinc/47/06/26/491470626.db2.gz ADRBNUZKVQZRFA-IAGOWNOFSA-N 2 2 367.453 0.705 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000559401417 491470627 /nfs/dbraw/zinc/47/06/27/491470627.db2.gz ADRBNUZKVQZRFA-IAGOWNOFSA-N 2 2 367.453 0.705 20 0 FCADLP CCCn1c2ccccc2n(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000566854582 491471404 /nfs/dbraw/zinc/47/14/04/491471404.db2.gz ZTGUBDMCTNISPJ-HNNXBMFYSA-N 2 2 359.474 0.704 20 0 FCADLP CCCn1c2ccccc2n(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000566854582 491471406 /nfs/dbraw/zinc/47/14/06/491471406.db2.gz ZTGUBDMCTNISPJ-HNNXBMFYSA-N 2 2 359.474 0.704 20 0 FCADLP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000559434091 491472639 /nfs/dbraw/zinc/47/26/39/491472639.db2.gz HIVWWOWGKWLVMY-UHFFFAOYSA-N 2 2 373.457 0.598 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000559445895 491474024 /nfs/dbraw/zinc/47/40/24/491474024.db2.gz TVZFGQGRDQYVPK-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000574118785 491475317 /nfs/dbraw/zinc/47/53/17/491475317.db2.gz FWICFFRDBZWNGR-OAHLLOKOSA-N 2 2 361.490 0.895 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559463251 491475620 /nfs/dbraw/zinc/47/56/20/491475620.db2.gz HNLYDQCJXKWMPP-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559463251 491475622 /nfs/dbraw/zinc/47/56/22/491475622.db2.gz HNLYDQCJXKWMPP-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000559550758 491480047 /nfs/dbraw/zinc/48/00/47/491480047.db2.gz UJIRGUIOWHZWLT-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000559550890 491480296 /nfs/dbraw/zinc/48/02/96/491480296.db2.gz ZLGDHMPSAYPKQY-INIZCTEOSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000559553003 491480668 /nfs/dbraw/zinc/48/06/68/491480668.db2.gz OKPUFOHBUGFMKA-KRWDZBQOSA-N 2 2 366.506 0.202 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262109 491484631 /nfs/dbraw/zinc/48/46/31/491484631.db2.gz GVWIHKMXCKQFHF-MSOLQXFVSA-N 3 2 361.490 0.038 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262109 491484634 /nfs/dbraw/zinc/48/46/34/491484634.db2.gz GVWIHKMXCKQFHF-MSOLQXFVSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262109 491484635 /nfs/dbraw/zinc/48/46/35/491484635.db2.gz GVWIHKMXCKQFHF-MSOLQXFVSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000574262109 491484638 /nfs/dbraw/zinc/48/46/38/491484638.db2.gz GVWIHKMXCKQFHF-MSOLQXFVSA-N 3 2 361.490 0.038 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000574363590 491491839 /nfs/dbraw/zinc/49/18/39/491491839.db2.gz GDLFXDOXGPISEP-HZPDHXFCSA-N 2 2 356.511 0.441 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000574363590 491491841 /nfs/dbraw/zinc/49/18/41/491491841.db2.gz GDLFXDOXGPISEP-HZPDHXFCSA-N 2 2 356.511 0.441 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000574363589 491491910 /nfs/dbraw/zinc/49/19/10/491491910.db2.gz GDLFXDOXGPISEP-HOTGVXAUSA-N 2 2 356.511 0.441 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000574363589 491491911 /nfs/dbraw/zinc/49/19/11/491491911.db2.gz GDLFXDOXGPISEP-HOTGVXAUSA-N 2 2 356.511 0.441 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000559756582 491495819 /nfs/dbraw/zinc/49/58/19/491495819.db2.gz WWXJFCKSEQWEDM-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000559756582 491495822 /nfs/dbraw/zinc/49/58/22/491495822.db2.gz WWXJFCKSEQWEDM-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000567267115 491495896 /nfs/dbraw/zinc/49/58/96/491495896.db2.gz SWBPILPDTUYAIQ-OLZOCXBDSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000567267115 491495899 /nfs/dbraw/zinc/49/58/99/491495899.db2.gz SWBPILPDTUYAIQ-OLZOCXBDSA-N 2 2 350.850 0.794 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000574443227 491496699 /nfs/dbraw/zinc/49/66/99/491496699.db2.gz PGEGDARVZLNNHY-SPUZQDLCSA-N 2 2 371.485 0.483 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000567286650 491497396 /nfs/dbraw/zinc/49/73/96/491497396.db2.gz RBBYRHJATQLFPF-INIZCTEOSA-N 2 2 359.430 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)[N@H+]1C ZINC000567325530 491499703 /nfs/dbraw/zinc/49/97/03/491499703.db2.gz HZELSOKACYHYDO-IYBDPMFKSA-N 2 2 361.494 0.333 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)[N@@H+]1C ZINC000567325530 491499706 /nfs/dbraw/zinc/49/97/06/491499706.db2.gz HZELSOKACYHYDO-IYBDPMFKSA-N 2 2 361.494 0.333 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000559808473 491501073 /nfs/dbraw/zinc/50/10/73/491501073.db2.gz JEPPTFDCEOJOPM-INIZCTEOSA-N 2 2 361.490 0.942 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567350439 491501383 /nfs/dbraw/zinc/50/13/83/491501383.db2.gz HTMSUMQPAOFZKB-MRXNPFEDSA-N 2 2 373.461 0.589 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000574512502 491501931 /nfs/dbraw/zinc/50/19/31/491501931.db2.gz PMPFPASSAYMPAV-HNNXBMFYSA-N 2 2 362.430 0.802 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000574515439 491502240 /nfs/dbraw/zinc/50/22/40/491502240.db2.gz OZUXXQGFHLOYKC-KRWDZBQOSA-N 2 2 368.428 0.977 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524433 491502419 /nfs/dbraw/zinc/50/24/19/491502419.db2.gz AEARCUXCOKTODD-SJORKVTESA-N 2 2 361.490 0.877 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524433 491502421 /nfs/dbraw/zinc/50/24/21/491502421.db2.gz AEARCUXCOKTODD-SJORKVTESA-N 2 2 361.490 0.877 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572268 491505655 /nfs/dbraw/zinc/50/56/55/491505655.db2.gz MBPIDYHOKSNZTD-HZPDHXFCSA-N 2 2 363.458 0.356 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572268 491505657 /nfs/dbraw/zinc/50/56/57/491505657.db2.gz MBPIDYHOKSNZTD-HZPDHXFCSA-N 2 2 363.458 0.356 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567471935 491508260 /nfs/dbraw/zinc/50/82/60/491508260.db2.gz ALJJKLKPQNDLSY-HUUCEWRRSA-N 2 2 364.515 0.754 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567471935 491508262 /nfs/dbraw/zinc/50/82/62/491508262.db2.gz ALJJKLKPQNDLSY-HUUCEWRRSA-N 2 2 364.515 0.754 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)[C@H](C[NH3+])C1 ZINC000567596369 491516721 /nfs/dbraw/zinc/51/67/21/491516721.db2.gz SVRCFIUQMZTRBS-LLVKDONJSA-N 2 2 357.252 0.939 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)[C@H](C[NH3+])C1 ZINC000567596369 491516724 /nfs/dbraw/zinc/51/67/24/491516724.db2.gz SVRCFIUQMZTRBS-LLVKDONJSA-N 2 2 357.252 0.939 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000574742606 491517065 /nfs/dbraw/zinc/51/70/65/491517065.db2.gz UYKZNCBMIFBWQM-GOSISDBHSA-N 2 2 362.474 0.771 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000567602969 491517336 /nfs/dbraw/zinc/51/73/36/491517336.db2.gz DXCRLIGKDHBWGT-INIZCTEOSA-N 2 2 350.467 0.773 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000567602969 491517339 /nfs/dbraw/zinc/51/73/39/491517339.db2.gz DXCRLIGKDHBWGT-INIZCTEOSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000567680396 491522694 /nfs/dbraw/zinc/52/26/94/491522694.db2.gz XLCIVFVPPHOLJD-CPUCHLNUSA-N 2 2 371.503 0.618 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000560300174 491529865 /nfs/dbraw/zinc/52/98/65/491529865.db2.gz JLNINGPKYOCBEG-OAHLLOKOSA-N 2 2 365.478 0.083 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000560300174 491529867 /nfs/dbraw/zinc/52/98/67/491529867.db2.gz JLNINGPKYOCBEG-OAHLLOKOSA-N 2 2 365.478 0.083 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560308045 491530258 /nfs/dbraw/zinc/53/02/58/491530258.db2.gz YFWBHGSVOIBFLE-QGZVFWFLSA-N 2 2 361.490 0.970 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560308045 491530259 /nfs/dbraw/zinc/53/02/59/491530259.db2.gz YFWBHGSVOIBFLE-QGZVFWFLSA-N 2 2 361.490 0.970 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[NH+]1CCOCC1 ZINC000575023460 491534031 /nfs/dbraw/zinc/53/40/31/491534031.db2.gz HUJCOMGLXBQHIZ-KRWDZBQOSA-N 2 2 370.538 0.694 20 0 FCADLP C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000567901685 491539804 /nfs/dbraw/zinc/53/98/04/491539804.db2.gz BYBGBJVSACOSDM-DZGCQCFKSA-N 2 2 353.488 0.831 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000560525087 491544100 /nfs/dbraw/zinc/54/41/00/491544100.db2.gz HCHGGEQSSYQDOS-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000560525087 491544101 /nfs/dbraw/zinc/54/41/01/491544101.db2.gz HCHGGEQSSYQDOS-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000575196669 491545169 /nfs/dbraw/zinc/54/51/69/491545169.db2.gz SVGPEFHEMZZNCG-ZWKOTPCHSA-N 2 2 372.513 0.887 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000575196669 491545170 /nfs/dbraw/zinc/54/51/70/491545170.db2.gz SVGPEFHEMZZNCG-ZWKOTPCHSA-N 2 2 372.513 0.887 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575322724 491549023 /nfs/dbraw/zinc/54/90/23/491549023.db2.gz SIFQEZLHOGGBTP-DJIMGWMZSA-N 2 2 352.504 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575322724 491549024 /nfs/dbraw/zinc/54/90/24/491549024.db2.gz SIFQEZLHOGGBTP-DJIMGWMZSA-N 2 2 352.504 0.916 20 0 FCADLP COc1ccc(CN2C[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000568086170 491552404 /nfs/dbraw/zinc/55/24/04/491552404.db2.gz HSFBGMWBAPYJPB-CVEARBPZSA-N 2 2 360.458 0.145 20 0 FCADLP COc1ccc(CN2C[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000568086170 491552406 /nfs/dbraw/zinc/55/24/06/491552406.db2.gz HSFBGMWBAPYJPB-CVEARBPZSA-N 2 2 360.458 0.145 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000560734827 491554015 /nfs/dbraw/zinc/55/40/15/491554015.db2.gz HZQUBADCUNRWFA-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568167860 491556607 /nfs/dbraw/zinc/55/66/07/491556607.db2.gz PWPIGTFPEXIZEX-OAHLLOKOSA-N 2 2 370.413 0.410 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000575750043 491558357 /nfs/dbraw/zinc/55/83/57/491558357.db2.gz KITADPYSXVXJBE-GJZGRUSLSA-N 2 2 365.499 0.703 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)[NH+]1CCOCC1 ZINC000575766309 491559335 /nfs/dbraw/zinc/55/93/35/491559335.db2.gz QIPGMTRYAWNLOO-IAGOWNOFSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)[NH+]1CCOCC1 ZINC000575766310 491559642 /nfs/dbraw/zinc/55/96/42/491559642.db2.gz QIPGMTRYAWNLOO-IRXDYDNUSA-N 2 2 368.522 0.258 20 0 FCADLP COC[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000560874751 491561453 /nfs/dbraw/zinc/56/14/53/491561453.db2.gz OZULESSMGZWCBQ-QGZVFWFLSA-N 2 2 366.506 0.202 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000568269469 491565589 /nfs/dbraw/zinc/56/55/89/491565589.db2.gz MBEVAQMWYOQRTG-UHFFFAOYSA-N 2 2 352.460 0.943 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000575976228 491573434 /nfs/dbraw/zinc/57/34/34/491573434.db2.gz XPSZFGQXYKVEIX-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000575976228 491573436 /nfs/dbraw/zinc/57/34/36/491573436.db2.gz XPSZFGQXYKVEIX-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000576014772 491576560 /nfs/dbraw/zinc/57/65/60/491576560.db2.gz PNICWOUGGOUHDC-DLBZAZTESA-N 2 2 354.520 0.589 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000561145285 491578671 /nfs/dbraw/zinc/57/86/71/491578671.db2.gz DHJINWFCOZFNSN-HNNXBMFYSA-N 2 2 369.535 0.572 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000561180937 491580766 /nfs/dbraw/zinc/58/07/66/491580766.db2.gz IZNIDEZPXNBQFB-INIZCTEOSA-N 2 2 351.495 0.372 20 0 FCADLP CCOC1CC(CNC(=O)N2CCCC[C@@H]2C[NH3+])([NH+]2CCOCC2)C1 ZINC000561203191 491582571 /nfs/dbraw/zinc/58/25/71/491582571.db2.gz OLCZLYURVNKXEU-KLHKWILBSA-N 2 2 354.495 0.779 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568522798 491583175 /nfs/dbraw/zinc/58/31/75/491583175.db2.gz CVZKPLNUFDAYRI-UHFFFAOYSA-N 3 2 367.538 0.058 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568522798 491583177 /nfs/dbraw/zinc/58/31/77/491583177.db2.gz CVZKPLNUFDAYRI-UHFFFAOYSA-N 3 2 367.538 0.058 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000561223849 491585854 /nfs/dbraw/zinc/58/58/54/491585854.db2.gz HFGZKIFNKCASSG-LJQANCHMSA-N 3 2 365.566 0.545 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428462 493352791 /nfs/dbraw/zinc/35/27/91/493352791.db2.gz BTSIVKYNUODRIV-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428462 493352793 /nfs/dbraw/zinc/35/27/93/493352793.db2.gz BTSIVKYNUODRIV-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000584410940 491587678 /nfs/dbraw/zinc/58/76/78/491587678.db2.gz ZATJLDAYGIJCLK-DLBZAZTESA-N 2 2 350.507 0.681 20 0 FCADLP C[C@]1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000561243451 491589111 /nfs/dbraw/zinc/58/91/11/491589111.db2.gz WGOVYXWYPVORNO-GJYPPUQNSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280334 491600966 /nfs/dbraw/zinc/60/09/66/491600966.db2.gz KDRGUUMKBFZCTM-HOTGVXAUSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280334 491600967 /nfs/dbraw/zinc/60/09/67/491600967.db2.gz KDRGUUMKBFZCTM-HOTGVXAUSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584540600 491602198 /nfs/dbraw/zinc/60/21/98/491602198.db2.gz FWEXOHQZSSNXAU-IPYPFGDCSA-N 2 2 353.426 0.806 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584540600 491602201 /nfs/dbraw/zinc/60/22/01/491602201.db2.gz FWEXOHQZSSNXAU-IPYPFGDCSA-N 2 2 353.426 0.806 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCNC(=O)N(C)C ZINC000584548102 491603166 /nfs/dbraw/zinc/60/31/66/491603166.db2.gz JKHHSDATSWYNCL-OAHLLOKOSA-N 2 2 362.478 0.322 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCNC(=O)N(C)C ZINC000584548102 491603170 /nfs/dbraw/zinc/60/31/70/491603170.db2.gz JKHHSDATSWYNCL-OAHLLOKOSA-N 2 2 362.478 0.322 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCNC(=O)N(C)C ZINC000584548101 491603349 /nfs/dbraw/zinc/60/33/49/491603349.db2.gz JKHHSDATSWYNCL-HNNXBMFYSA-N 2 2 362.478 0.322 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCNC(=O)N(C)C ZINC000584548101 491603351 /nfs/dbraw/zinc/60/33/51/491603351.db2.gz JKHHSDATSWYNCL-HNNXBMFYSA-N 2 2 362.478 0.322 20 0 FCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000561400978 491605245 /nfs/dbraw/zinc/60/52/45/491605245.db2.gz GUHOBGPALDJPMW-INIZCTEOSA-N 2 2 366.510 1.457 20 0 FCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000561400978 491605247 /nfs/dbraw/zinc/60/52/47/491605247.db2.gz GUHOBGPALDJPMW-INIZCTEOSA-N 2 2 366.510 1.457 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238522 491605908 /nfs/dbraw/zinc/60/59/08/491605908.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238522 491605911 /nfs/dbraw/zinc/60/59/11/491605911.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238522 491605913 /nfs/dbraw/zinc/60/59/13/491605913.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238522 491605917 /nfs/dbraw/zinc/60/59/17/491605917.db2.gz BLAGGZWKCWYNEM-HZPDHXFCSA-N 3 2 367.538 0.070 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OC ZINC000568748675 491606091 /nfs/dbraw/zinc/60/60/91/491606091.db2.gz DRGDLPMOQPSREK-CABCVRRESA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OC ZINC000568748675 491606092 /nfs/dbraw/zinc/60/60/92/491606092.db2.gz DRGDLPMOQPSREK-CABCVRRESA-N 2 2 363.458 0.870 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000576374059 491609212 /nfs/dbraw/zinc/60/92/12/491609212.db2.gz YYAVTDNVPJZOSD-INIZCTEOSA-N 2 2 353.511 0.713 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000577302557 491611390 /nfs/dbraw/zinc/61/13/90/491611390.db2.gz ZIHHHIDNVGGWNO-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000577302557 491611394 /nfs/dbraw/zinc/61/13/94/491611394.db2.gz ZIHHHIDNVGGWNO-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000561536465 491614917 /nfs/dbraw/zinc/61/49/17/491614917.db2.gz HAZCYWMJIXEOLI-HUUCEWRRSA-N 2 2 362.478 0.758 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000561536465 491614920 /nfs/dbraw/zinc/61/49/20/491614920.db2.gz HAZCYWMJIXEOLI-HUUCEWRRSA-N 2 2 362.478 0.758 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000577373055 491616123 /nfs/dbraw/zinc/61/61/23/491616123.db2.gz GQZBYLRRNUQFPZ-ROUUACIJSA-N 2 2 356.470 0.399 20 0 FCADLP CN1C[C@@H]([N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000568878657 491616167 /nfs/dbraw/zinc/61/61/67/491616167.db2.gz FNCDEMMPGAGDAD-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CN1C[C@@H]([N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000568878657 491616170 /nfs/dbraw/zinc/61/61/70/491616170.db2.gz FNCDEMMPGAGDAD-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000576482397 491618715 /nfs/dbraw/zinc/61/87/15/491618715.db2.gz GTAWTASHRQKDOF-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000576482397 491618716 /nfs/dbraw/zinc/61/87/16/491618716.db2.gz GTAWTASHRQKDOF-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000576578728 491626419 /nfs/dbraw/zinc/62/64/19/491626419.db2.gz KNSWKCOTZHOYTK-ZGDBMJCWSA-N 2 2 365.474 0.980 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000569024832 491628277 /nfs/dbraw/zinc/62/82/77/491628277.db2.gz NAVKUAHCFDLEGC-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600233 491628674 /nfs/dbraw/zinc/62/86/74/491628674.db2.gz WESSTRCGXDZFFF-SJORKVTESA-N 2 2 367.453 0.137 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600233 491628677 /nfs/dbraw/zinc/62/86/77/491628677.db2.gz WESSTRCGXDZFFF-SJORKVTESA-N 2 2 367.453 0.137 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000577594931 491634618 /nfs/dbraw/zinc/63/46/18/491634618.db2.gz QLCVYOWHAMPNHJ-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP COc1ccc([C@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000569123766 491636107 /nfs/dbraw/zinc/63/61/07/491636107.db2.gz XQCNBTCKWPFUJI-XEZPLFJOSA-N 2 2 373.457 0.876 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000577727136 491646524 /nfs/dbraw/zinc/64/65/24/491646524.db2.gz CRUWMQLWGWEPLL-OAGGEKHMSA-N 2 2 354.495 0.236 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000562029140 491648686 /nfs/dbraw/zinc/64/86/86/491648686.db2.gz BGOSNRLAIHQORV-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000569312643 491651355 /nfs/dbraw/zinc/65/13/55/491651355.db2.gz TVCHBEYWCQCUHZ-CEXWTWQISA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000569312643 491651358 /nfs/dbraw/zinc/65/13/58/491651358.db2.gz TVCHBEYWCQCUHZ-CEXWTWQISA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569312643 491651360 /nfs/dbraw/zinc/65/13/60/491651360.db2.gz TVCHBEYWCQCUHZ-CEXWTWQISA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569312643 491651363 /nfs/dbraw/zinc/65/13/63/491651363.db2.gz TVCHBEYWCQCUHZ-CEXWTWQISA-N 2 2 359.470 0.867 20 0 FCADLP Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])on1 ZINC000569320347 491651779 /nfs/dbraw/zinc/65/17/79/491651779.db2.gz LVQASIMNVGEJCU-KKUMJFAQSA-N 2 2 368.457 0.180 20 0 FCADLP Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])on1 ZINC000569320347 491651781 /nfs/dbraw/zinc/65/17/81/491651781.db2.gz LVQASIMNVGEJCU-KKUMJFAQSA-N 2 2 368.457 0.180 20 0 FCADLP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+](C)C3CC([NH3+])C3)CC2)C1 ZINC000569341430 491653553 /nfs/dbraw/zinc/65/35/53/491653553.db2.gz XHEWFEJKPKIDBO-OOHWJJMZSA-N 2 2 350.507 0.905 20 0 FCADLP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+](C)C3CC([NH3+])C3)CC2)C1 ZINC000569341430 491653556 /nfs/dbraw/zinc/65/35/56/491653556.db2.gz XHEWFEJKPKIDBO-OOHWJJMZSA-N 2 2 350.507 0.905 20 0 FCADLP CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577832356 491654853 /nfs/dbraw/zinc/65/48/53/491654853.db2.gz VTUNKBYUOUXCDU-UKRRQHHQSA-N 2 2 368.503 0.826 20 0 FCADLP CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577832356 491654857 /nfs/dbraw/zinc/65/48/57/491654857.db2.gz VTUNKBYUOUXCDU-UKRRQHHQSA-N 2 2 368.503 0.826 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000576940905 491658590 /nfs/dbraw/zinc/65/85/90/491658590.db2.gz KVQQODXUJFBPIL-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000576962913 491660865 /nfs/dbraw/zinc/66/08/65/491660865.db2.gz KUIAQRXYVIDMPO-GDBMZVCRSA-N 2 2 361.490 0.867 20 0 FCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000578006969 491667845 /nfs/dbraw/zinc/66/78/45/491667845.db2.gz ZHALDLZKTUWGIK-GJZGRUSLSA-N 2 2 368.503 0.931 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)CC1 ZINC000578104940 491670104 /nfs/dbraw/zinc/67/01/04/491670104.db2.gz AJVSBVKLVOXSLO-UHFFFAOYSA-N 2 2 353.426 0.602 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000578425612 491676961 /nfs/dbraw/zinc/67/69/61/491676961.db2.gz QUEXWIKASUKEDB-DOTOQJQBSA-N 2 2 365.522 0.747 20 0 FCADLP CC(C)[NH2+]CCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000578440597 491677260 /nfs/dbraw/zinc/67/72/60/491677260.db2.gz AUSVHBONGUSXMW-UHFFFAOYSA-N 2 2 362.478 0.350 20 0 FCADLP CC(C)[NH2+]CCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000578440597 491677261 /nfs/dbraw/zinc/67/72/61/491677261.db2.gz AUSVHBONGUSXMW-UHFFFAOYSA-N 2 2 362.478 0.350 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000578476006 491678049 /nfs/dbraw/zinc/67/80/49/491678049.db2.gz SPBAPQNSPZCAKO-MRXNPFEDSA-N 2 2 367.538 0.959 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000578476006 491678050 /nfs/dbraw/zinc/67/80/50/491678050.db2.gz SPBAPQNSPZCAKO-MRXNPFEDSA-N 2 2 367.538 0.959 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000578563346 491679948 /nfs/dbraw/zinc/67/99/48/491679948.db2.gz XCQYGDZMISBBGX-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000578675573 491682134 /nfs/dbraw/zinc/68/21/34/491682134.db2.gz IMHTVJIMNKXXAV-HZPDHXFCSA-N 2 2 356.511 0.306 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[NH2+]C(C)C)c2)CC1 ZINC000578788035 491684557 /nfs/dbraw/zinc/68/45/57/491684557.db2.gz IMMQQXZIMRAYCW-UHFFFAOYSA-N 2 2 368.503 0.949 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000578864017 491685830 /nfs/dbraw/zinc/68/58/30/491685830.db2.gz JHGIAXKPDSXLHT-GDBMZVCRSA-N 2 2 351.495 0.228 20 0 FCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)no1 ZINC000578985952 491688312 /nfs/dbraw/zinc/68/83/12/491688312.db2.gz IJJCPUVCTRZTFM-ZDUSSCGKSA-N 2 2 361.450 0.917 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@@H](C[NH3+])C1 ZINC000579004720 491689050 /nfs/dbraw/zinc/68/90/50/491689050.db2.gz OKNFMQMVSFNKHT-DOMZBBRYSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@@H](C[NH3+])C1 ZINC000579004720 491689051 /nfs/dbraw/zinc/68/90/51/491689051.db2.gz OKNFMQMVSFNKHT-DOMZBBRYSA-N 2 2 350.850 0.794 20 0 FCADLP COC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@H](OC)C1 ZINC000579479801 491698855 /nfs/dbraw/zinc/69/88/55/491698855.db2.gz DHSLAJRHOUULDY-YQQAZPJKSA-N 2 2 355.479 0.487 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000579506350 491699541 /nfs/dbraw/zinc/69/95/41/491699541.db2.gz VUXBCJQRHVUJFM-HOTGVXAUSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000579545787 491700098 /nfs/dbraw/zinc/70/00/98/491700098.db2.gz ZBHSVUKFVPMVRZ-AWEZNQCLSA-N 2 2 356.430 0.988 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000579545787 491700099 /nfs/dbraw/zinc/70/00/99/491700099.db2.gz ZBHSVUKFVPMVRZ-AWEZNQCLSA-N 2 2 356.430 0.988 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000579574609 491700738 /nfs/dbraw/zinc/70/07/38/491700738.db2.gz BBFWFFODOBZPNJ-QLFBSQMISA-N 2 2 352.431 0.854 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000579574609 491700739 /nfs/dbraw/zinc/70/07/39/491700739.db2.gz BBFWFFODOBZPNJ-QLFBSQMISA-N 2 2 352.431 0.854 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000579589224 491701028 /nfs/dbraw/zinc/70/10/28/491701028.db2.gz CZUYOUZSZLMOBY-ZDUSSCGKSA-N 2 2 374.894 0.110 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000579589224 491701029 /nfs/dbraw/zinc/70/10/29/491701029.db2.gz CZUYOUZSZLMOBY-ZDUSSCGKSA-N 2 2 374.894 0.110 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000579833743 491706322 /nfs/dbraw/zinc/70/63/22/491706322.db2.gz GJGMKAFZQNVJIK-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000579833743 491706323 /nfs/dbraw/zinc/70/63/23/491706323.db2.gz GJGMKAFZQNVJIK-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579935486 491709656 /nfs/dbraw/zinc/70/96/56/491709656.db2.gz VQUKYBKQRJHFFV-HUUCEWRRSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579935486 491709658 /nfs/dbraw/zinc/70/96/58/491709658.db2.gz VQUKYBKQRJHFFV-HUUCEWRRSA-N 2 2 365.865 0.730 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000580118874 491718396 /nfs/dbraw/zinc/71/83/96/491718396.db2.gz QFMJEBPXWKZFQY-NVXWUHKLSA-N 2 2 363.462 0.246 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000580118874 491718397 /nfs/dbraw/zinc/71/83/97/491718397.db2.gz QFMJEBPXWKZFQY-NVXWUHKLSA-N 2 2 363.462 0.246 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000580143406 491719347 /nfs/dbraw/zinc/71/93/47/491719347.db2.gz LMHPBFYJIMPMDT-MUQADHOPSA-N 2 2 371.485 0.705 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000580143406 491719348 /nfs/dbraw/zinc/71/93/48/491719348.db2.gz LMHPBFYJIMPMDT-MUQADHOPSA-N 2 2 371.485 0.705 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H](C)[NH3+] ZINC000580184079 491720367 /nfs/dbraw/zinc/72/03/67/491720367.db2.gz ZQJOPGWOQFDFJT-ILXRZTDVSA-N 2 2 362.478 0.382 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H](C)[NH3+] ZINC000580184079 491720369 /nfs/dbraw/zinc/72/03/69/491720369.db2.gz ZQJOPGWOQFDFJT-ILXRZTDVSA-N 2 2 362.478 0.382 20 0 FCADLP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000580188570 491720827 /nfs/dbraw/zinc/72/08/27/491720827.db2.gz NDRLLLOYDTTWAY-MRXNPFEDSA-N 2 2 355.446 0.383 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580196714 491721442 /nfs/dbraw/zinc/72/14/42/491721442.db2.gz ZLLWSFMOMKAXTM-ZOBUZTSGSA-N 2 2 362.474 0.246 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580196714 491721444 /nfs/dbraw/zinc/72/14/44/491721444.db2.gz ZLLWSFMOMKAXTM-ZOBUZTSGSA-N 2 2 362.474 0.246 20 0 FCADLP [NH3+]C1(C[NH2+]CC(=O)NCC(=O)Nc2ccccc2Br)CCC1 ZINC000580445914 491731848 /nfs/dbraw/zinc/73/18/48/491731848.db2.gz MJNUHBSGQVRCAS-UHFFFAOYSA-N 2 2 369.263 0.975 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)O1 ZINC000580515559 491734278 /nfs/dbraw/zinc/73/42/78/491734278.db2.gz RNQPOVNZQGHNPE-OWCLPIDISA-N 2 2 368.503 0.689 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000580712021 491742545 /nfs/dbraw/zinc/74/25/45/491742545.db2.gz SRJNKUSCIMNFQH-OAHLLOKOSA-N 2 2 371.445 0.192 20 0 FCADLP CSC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236437 491742731 /nfs/dbraw/zinc/74/27/31/491742731.db2.gz TYOBMFYWIOYNCH-GOEBONIOSA-N 2 2 368.547 0.625 20 0 FCADLP CSC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236437 491742733 /nfs/dbraw/zinc/74/27/33/491742733.db2.gz TYOBMFYWIOYNCH-GOEBONIOSA-N 2 2 368.547 0.625 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000580799647 491746432 /nfs/dbraw/zinc/74/64/32/491746432.db2.gz CNHFMUQLGWOLOV-OAHLLOKOSA-N 2 2 368.441 0.366 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080604 491758475 /nfs/dbraw/zinc/75/84/75/491758475.db2.gz WDOWSUFWCFEYAD-KSZLIROESA-N 3 2 357.539 0.889 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080604 491758476 /nfs/dbraw/zinc/75/84/76/491758476.db2.gz WDOWSUFWCFEYAD-KSZLIROESA-N 3 2 357.539 0.889 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080604 491758477 /nfs/dbraw/zinc/75/84/77/491758477.db2.gz WDOWSUFWCFEYAD-KSZLIROESA-N 3 2 357.539 0.889 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000581149029 491761359 /nfs/dbraw/zinc/76/13/59/491761359.db2.gz RIJLRSXNCXJIAS-HZMVEIRTSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000581150305 491761484 /nfs/dbraw/zinc/76/14/84/491761484.db2.gz STTMZFGRSFDVEX-MUJYYYPQSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000581150305 491761486 /nfs/dbraw/zinc/76/14/86/491761486.db2.gz STTMZFGRSFDVEX-MUJYYYPQSA-N 2 2 368.522 0.543 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1=CC[NH2+]CC1 ZINC000581193328 491763163 /nfs/dbraw/zinc/76/31/63/491763163.db2.gz IFUSFTSHVOHYRR-UHFFFAOYSA-N 2 2 351.472 0.671 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cn2c1 ZINC000581342174 491769479 /nfs/dbraw/zinc/76/94/79/491769479.db2.gz ACSBOLKKIIXYGO-UHFFFAOYSA-N 2 2 369.429 0.656 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000581408758 491771677 /nfs/dbraw/zinc/77/16/77/491771677.db2.gz TTYHJMUTGGJVRA-INIZCTEOSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000581408758 491771679 /nfs/dbraw/zinc/77/16/79/491771679.db2.gz TTYHJMUTGGJVRA-INIZCTEOSA-N 2 2 359.536 0.875 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cc2C1 ZINC000673782358 493361231 /nfs/dbraw/zinc/36/12/31/493361231.db2.gz BPKZDIFHJIAJDA-GOSISDBHSA-N 2 2 372.469 0.894 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cc2C1 ZINC000673782358 493361233 /nfs/dbraw/zinc/36/12/33/493361233.db2.gz BPKZDIFHJIAJDA-GOSISDBHSA-N 2 2 372.469 0.894 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)N1CCC[NH2+]CC1 ZINC000581715955 491783829 /nfs/dbraw/zinc/78/38/29/491783829.db2.gz OFYMLTURUADPLX-UHFFFAOYSA-N 2 2 365.522 0.716 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000581881714 491788426 /nfs/dbraw/zinc/78/84/26/491788426.db2.gz DLSJMDDXZIKCSK-HOCLYGCPSA-N 2 2 359.405 0.633 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@H](C)O1 ZINC000581880244 491788559 /nfs/dbraw/zinc/78/85/59/491788559.db2.gz YYZLSNDPHPCOSK-RZXDWDHASA-N 2 2 351.447 0.677 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@H](C)O1 ZINC000581880244 491788561 /nfs/dbraw/zinc/78/85/61/491788561.db2.gz YYZLSNDPHPCOSK-RZXDWDHASA-N 2 2 351.447 0.677 20 0 FCADLP CS[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982597 491791089 /nfs/dbraw/zinc/79/10/89/491791089.db2.gz AXLVUZJOGQBGRO-HZPDHXFCSA-N 2 2 368.547 0.577 20 0 FCADLP CS[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982597 491791091 /nfs/dbraw/zinc/79/10/91/491791091.db2.gz AXLVUZJOGQBGRO-HZPDHXFCSA-N 2 2 368.547 0.577 20 0 FCADLP O=C(C[NH+]1CCC[C@H]1CF)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CF)CC1 ZINC000582194473 491801975 /nfs/dbraw/zinc/80/19/75/491801975.db2.gz KQUJCUYBLZZKTL-IYBDPMFKSA-N 2 2 372.460 0.525 20 0 FCADLP O=C(C[NH+]1CCC[C@H]1CF)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CF)CC1 ZINC000582194473 491801976 /nfs/dbraw/zinc/80/19/76/491801976.db2.gz KQUJCUYBLZZKTL-IYBDPMFKSA-N 2 2 372.460 0.525 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000591553412 491808060 /nfs/dbraw/zinc/80/80/60/491808060.db2.gz BPUWPKAMQQQKPS-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000591553412 491808061 /nfs/dbraw/zinc/80/80/61/491808061.db2.gz BPUWPKAMQQQKPS-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371289 491809876 /nfs/dbraw/zinc/80/98/76/491809876.db2.gz UBOIQSCKLCQJLG-HUUCEWRRSA-N 2 2 350.850 0.243 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371289 491809877 /nfs/dbraw/zinc/80/98/77/491809877.db2.gz UBOIQSCKLCQJLG-HUUCEWRRSA-N 2 2 350.850 0.243 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)[NH+]1CC(C)C1 ZINC000582735611 491824948 /nfs/dbraw/zinc/82/49/48/491824948.db2.gz IZTQKHMAESBKRB-KKUMJFAQSA-N 2 2 364.469 0.916 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000582856832 491829779 /nfs/dbraw/zinc/82/97/79/491829779.db2.gz GONHSSPFEUXONC-UHFFFAOYSA-N 2 2 365.478 0.718 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000582856832 491829782 /nfs/dbraw/zinc/82/97/82/491829782.db2.gz GONHSSPFEUXONC-UHFFFAOYSA-N 2 2 365.478 0.718 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)C1CC1 ZINC000582960860 491834137 /nfs/dbraw/zinc/83/41/37/491834137.db2.gz YHYHMASMXYEPJT-QGZVFWFLSA-N 2 2 353.488 0.771 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)C1CC1 ZINC000582960860 491834138 /nfs/dbraw/zinc/83/41/38/491834138.db2.gz YHYHMASMXYEPJT-QGZVFWFLSA-N 2 2 353.488 0.771 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)nn1 ZINC000583138527 491838837 /nfs/dbraw/zinc/83/88/37/491838837.db2.gz WOLIAJCDZYVIEM-AAEUAGOBSA-N 2 2 357.409 0.328 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000583154519 491839232 /nfs/dbraw/zinc/83/92/32/491839232.db2.gz DAAPZBFRDFOVRF-LSDHHAIUSA-N 2 2 358.446 0.004 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC[C@H]3CCC[NH2+]C3)ccn2)CC1 ZINC000583251078 491840826 /nfs/dbraw/zinc/84/08/26/491840826.db2.gz UCKQPXXRKSLJAP-OAHLLOKOSA-N 2 2 374.489 0.980 20 0 FCADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCO1 ZINC000583489020 491845954 /nfs/dbraw/zinc/84/59/54/491845954.db2.gz HIUNBFQSQVHULP-KGLIPLIRSA-N 2 2 354.476 0.409 20 0 FCADLP O=C(C[N@@H+]1CCC[C@]12CCNC2=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000583508343 491846460 /nfs/dbraw/zinc/84/64/60/491846460.db2.gz IHYUXSMUILRRSA-GOSISDBHSA-N 2 2 362.499 0.747 20 0 FCADLP O=C(C[N@H+]1CCC[C@]12CCNC2=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000583508343 491846461 /nfs/dbraw/zinc/84/64/61/491846461.db2.gz IHYUXSMUILRRSA-GOSISDBHSA-N 2 2 362.499 0.747 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529217 491846828 /nfs/dbraw/zinc/84/68/28/491846828.db2.gz CJADFXPLDFSRNL-CVEARBPZSA-N 2 2 361.490 0.798 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529217 491846829 /nfs/dbraw/zinc/84/68/29/491846829.db2.gz CJADFXPLDFSRNL-CVEARBPZSA-N 2 2 361.490 0.798 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000583761304 491851405 /nfs/dbraw/zinc/85/14/05/491851405.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@@H](O)C[N@H+](C)CC)C[C@H]1C ZINC000583761304 491851406 /nfs/dbraw/zinc/85/14/06/491851406.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761304 491851407 /nfs/dbraw/zinc/85/14/07/491851407.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)CN1C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761304 491851408 /nfs/dbraw/zinc/85/14/08/491851408.db2.gz NELXGHKYUKQQLC-SQNIBIBYSA-N 3 2 358.571 0.396 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000583809756 491852403 /nfs/dbraw/zinc/85/24/03/491852403.db2.gz CLZNSDNQQPXXJV-KRWDZBQOSA-N 2 2 370.457 0.969 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)C[C@@H](C)O1 ZINC000583867174 491853639 /nfs/dbraw/zinc/85/36/39/491853639.db2.gz UTQCWGITXMTIKO-XLMAVXFVSA-N 2 2 353.507 0.980 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)C[C@H](C)O1 ZINC000583867173 491853647 /nfs/dbraw/zinc/85/36/47/491853647.db2.gz UTQCWGITXMTIKO-UIBIWLFHSA-N 2 2 353.507 0.980 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)C[C@H](C)O1 ZINC000583867173 491853648 /nfs/dbraw/zinc/85/36/48/491853648.db2.gz UTQCWGITXMTIKO-UIBIWLFHSA-N 2 2 353.507 0.980 20 0 FCADLP C[NH+]1CCC(CNc2nc(N)c3ccccc3[nH+]2)(N2CCOCC2)CC1 ZINC000583981354 491855960 /nfs/dbraw/zinc/85/59/60/491855960.db2.gz WDTWVORPWNAGML-UHFFFAOYSA-N 2 2 356.474 0.842 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000583992167 491856062 /nfs/dbraw/zinc/85/60/62/491856062.db2.gz UIAOHMLTYSVDBG-JKSUJKDBSA-N 2 2 364.494 0.679 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000584246427 491861491 /nfs/dbraw/zinc/86/14/91/491861491.db2.gz QCLIGQQUPUBPHK-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000584246427 491861492 /nfs/dbraw/zinc/86/14/92/491861492.db2.gz QCLIGQQUPUBPHK-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584299802 491862506 /nfs/dbraw/zinc/86/25/06/491862506.db2.gz VVXYAXSHXNGWRM-INIZCTEOSA-N 2 2 356.492 0.479 20 0 FCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584299802 491862507 /nfs/dbraw/zinc/86/25/07/491862507.db2.gz VVXYAXSHXNGWRM-INIZCTEOSA-N 2 2 356.492 0.479 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611690541 491869010 /nfs/dbraw/zinc/86/90/10/491869010.db2.gz HUIZOLNTPYXXLA-IRXDYDNUSA-N 2 2 367.453 0.705 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611690541 491869012 /nfs/dbraw/zinc/86/90/12/491869012.db2.gz HUIZOLNTPYXXLA-IRXDYDNUSA-N 2 2 367.453 0.705 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000600726348 491879317 /nfs/dbraw/zinc/87/93/17/491879317.db2.gz FOOMYXJAQIQFLS-GXTWGEPZSA-N 2 2 367.471 0.686 20 0 FCADLP COC(=O)c1sc2[nH]c(C[N@H+](C)CCOCC[NH3+])nc(=O)c2c1C ZINC000600738077 491879699 /nfs/dbraw/zinc/87/96/99/491879699.db2.gz ZPYSLVVYKKESCP-UHFFFAOYSA-N 2 2 354.432 0.487 20 0 FCADLP COC(=O)c1sc2[nH]c(C[N@@H+](C)CCOCC[NH3+])nc(=O)c2c1C ZINC000600738077 491879700 /nfs/dbraw/zinc/87/97/00/491879700.db2.gz ZPYSLVVYKKESCP-UHFFFAOYSA-N 2 2 354.432 0.487 20 0 FCADLP c1cc2n(n1)C[C@@H](C[NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CN2 ZINC000595143155 491889492 /nfs/dbraw/zinc/88/94/92/491889492.db2.gz SWSUROOEYXVDGV-INIZCTEOSA-N 2 2 356.478 0.517 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)CCN2C1=O ZINC000600947397 491889681 /nfs/dbraw/zinc/88/96/81/491889681.db2.gz LLSVDQWSRJHKMR-HZPDHXFCSA-N 2 2 350.426 0.745 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454350 491919806 /nfs/dbraw/zinc/91/98/06/491919806.db2.gz SMVFPRRIQJAXJT-IRXDYDNUSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454350 491919808 /nfs/dbraw/zinc/91/98/08/491919808.db2.gz SMVFPRRIQJAXJT-IRXDYDNUSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472256 491924933 /nfs/dbraw/zinc/92/49/33/491924933.db2.gz GDGMNBITSRTPDG-CVEARBPZSA-N 2 2 372.535 0.037 20 0 FCADLP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472256 491924936 /nfs/dbraw/zinc/92/49/36/491924936.db2.gz GDGMNBITSRTPDG-CVEARBPZSA-N 2 2 372.535 0.037 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000612542581 491931044 /nfs/dbraw/zinc/93/10/44/491931044.db2.gz JHLMZEKKHLKUII-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000612542581 491931046 /nfs/dbraw/zinc/93/10/46/491931046.db2.gz JHLMZEKKHLKUII-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543559 491931255 /nfs/dbraw/zinc/93/12/55/491931255.db2.gz QSGAQJBKKBYQRS-RBUKOAKNSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543559 491931256 /nfs/dbraw/zinc/93/12/56/491931256.db2.gz QSGAQJBKKBYQRS-RBUKOAKNSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543559 491931257 /nfs/dbraw/zinc/93/12/57/491931257.db2.gz QSGAQJBKKBYQRS-RBUKOAKNSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543559 491931258 /nfs/dbraw/zinc/93/12/58/491931258.db2.gz QSGAQJBKKBYQRS-RBUKOAKNSA-N 2 2 372.513 0.972 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC000595469427 491933821 /nfs/dbraw/zinc/93/38/21/491933821.db2.gz HFYRFFDGHURFDG-GFCCVEGCSA-N 2 2 366.384 0.561 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC000595469427 491933822 /nfs/dbraw/zinc/93/38/22/491933822.db2.gz HFYRFFDGHURFDG-GFCCVEGCSA-N 2 2 366.384 0.561 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)C1 ZINC000595694001 491948769 /nfs/dbraw/zinc/94/87/69/491948769.db2.gz BRDJIOSLPHFYGH-HNNXBMFYSA-N 2 2 362.449 0.651 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)C1 ZINC000595694001 491948771 /nfs/dbraw/zinc/94/87/71/491948771.db2.gz BRDJIOSLPHFYGH-HNNXBMFYSA-N 2 2 362.449 0.651 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966952 491956056 /nfs/dbraw/zinc/95/60/56/491956056.db2.gz GEYQKAUHLXRWIJ-DOXZYTNZSA-N 2 2 363.458 0.279 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966952 491956061 /nfs/dbraw/zinc/95/60/61/491956061.db2.gz GEYQKAUHLXRWIJ-DOXZYTNZSA-N 2 2 363.458 0.279 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966953 491956218 /nfs/dbraw/zinc/95/62/18/491956218.db2.gz GEYQKAUHLXRWIJ-YZVOILCLSA-N 2 2 363.458 0.279 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966953 491956221 /nfs/dbraw/zinc/95/62/21/491956221.db2.gz GEYQKAUHLXRWIJ-YZVOILCLSA-N 2 2 363.458 0.279 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000602129449 491961880 /nfs/dbraw/zinc/96/18/80/491961880.db2.gz IVNFGEWADWKBEU-HNNXBMFYSA-N 2 2 355.479 0.441 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000602129449 491961882 /nfs/dbraw/zinc/96/18/82/491961882.db2.gz IVNFGEWADWKBEU-HNNXBMFYSA-N 2 2 355.479 0.441 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccnc3N3CCOCC3)C2)CC1 ZINC000602203426 491967928 /nfs/dbraw/zinc/96/79/28/491967928.db2.gz NZARPBURXHEEJE-INIZCTEOSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccnc3N3CCOCC3)C2)CC1 ZINC000602203426 491967929 /nfs/dbraw/zinc/96/79/29/491967929.db2.gz NZARPBURXHEEJE-INIZCTEOSA-N 2 2 373.501 0.817 20 0 FCADLP COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000613415679 491980934 /nfs/dbraw/zinc/98/09/34/491980934.db2.gz JVYHRLUBBLYGFC-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000602504181 491990273 /nfs/dbraw/zinc/99/02/73/491990273.db2.gz LJLNETZFJDRNBG-RHSMWYFYSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)c1ccn(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000602831173 491999846 /nfs/dbraw/zinc/99/98/46/491999846.db2.gz ZSEDEFMSAWEPQM-UHFFFAOYSA-N 2 2 363.462 0.345 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@@H](O)C[N@H+](C)C(C)C)nn2)CC1 ZINC000603260095 492022535 /nfs/dbraw/zinc/02/25/35/492022535.db2.gz OIZXZOCQIRJQCT-KRWDZBQOSA-N 2 2 367.494 0.754 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn2)CC1 ZINC000603260095 492022537 /nfs/dbraw/zinc/02/25/37/492022537.db2.gz OIZXZOCQIRJQCT-KRWDZBQOSA-N 2 2 367.494 0.754 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614440263 492029707 /nfs/dbraw/zinc/02/97/07/492029707.db2.gz IVBNKNKDANCINC-HNNXBMFYSA-N 2 2 356.430 0.989 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603867470 492043992 /nfs/dbraw/zinc/04/39/92/492043992.db2.gz SWTNFGZLIWXNAC-MPGHIAIKSA-N 2 2 370.453 0.519 20 0 FCADLP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664843 492046943 /nfs/dbraw/zinc/04/69/43/492046943.db2.gz ZBTMQLDLSLRXRD-ZIAGYGMSSA-N 2 2 353.492 0.835 20 0 FCADLP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664843 492046944 /nfs/dbraw/zinc/04/69/44/492046944.db2.gz ZBTMQLDLSLRXRD-ZIAGYGMSSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664843 492046945 /nfs/dbraw/zinc/04/69/45/492046945.db2.gz ZBTMQLDLSLRXRD-ZIAGYGMSSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664843 492046947 /nfs/dbraw/zinc/04/69/47/492046947.db2.gz ZBTMQLDLSLRXRD-ZIAGYGMSSA-N 2 2 353.492 0.835 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910072 492046952 /nfs/dbraw/zinc/04/69/52/492046952.db2.gz IGFGXUNJCDALMT-AGIUHOORSA-N 2 2 360.414 0.646 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000604184195 492053147 /nfs/dbraw/zinc/05/31/47/492053147.db2.gz IQCHLIFWAPZWKB-HZPDHXFCSA-N 2 2 371.526 0.195 20 0 FCADLP COCCOCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604190059 492053926 /nfs/dbraw/zinc/05/39/26/492053926.db2.gz RPZHWTHLDJPZKJ-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP COCCOCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604190059 492053928 /nfs/dbraw/zinc/05/39/28/492053928.db2.gz RPZHWTHLDJPZKJ-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP CCC(=O)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209084 492055113 /nfs/dbraw/zinc/05/51/13/492055113.db2.gz LWLZAEJDNZQKIS-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CCC(=O)N1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209084 492055114 /nfs/dbraw/zinc/05/51/14/492055114.db2.gz LWLZAEJDNZQKIS-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000604577623 492063990 /nfs/dbraw/zinc/06/39/90/492063990.db2.gz UXLYUTAVIRUNGE-UHFFFAOYSA-N 2 2 370.457 0.882 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000604656628 492066469 /nfs/dbraw/zinc/06/64/69/492066469.db2.gz BLUBLEFNMSCQGJ-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOC[C@@H]3CCCO3)C2)CC1 ZINC000604656628 492066471 /nfs/dbraw/zinc/06/64/71/492066471.db2.gz BLUBLEFNMSCQGJ-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000604774482 492071381 /nfs/dbraw/zinc/07/13/81/492071381.db2.gz YASKXFJIWCQUBC-UAFMIMERSA-N 2 2 368.566 0.558 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000604774482 492071382 /nfs/dbraw/zinc/07/13/82/492071382.db2.gz YASKXFJIWCQUBC-UAFMIMERSA-N 2 2 368.566 0.558 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCOC[C@@H]3CCOC3)CC2)CC1 ZINC000598095125 492082865 /nfs/dbraw/zinc/08/28/65/492082865.db2.gz FTWOXMNNWVGHRW-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000615278314 492084675 /nfs/dbraw/zinc/08/46/75/492084675.db2.gz DIUUMXCNTPGPOX-ZWKOTPCHSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000615278314 492084677 /nfs/dbraw/zinc/08/46/77/492084677.db2.gz DIUUMXCNTPGPOX-ZWKOTPCHSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000615278314 492084680 /nfs/dbraw/zinc/08/46/80/492084680.db2.gz DIUUMXCNTPGPOX-ZWKOTPCHSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000615278314 492084681 /nfs/dbraw/zinc/08/46/81/492084681.db2.gz DIUUMXCNTPGPOX-ZWKOTPCHSA-N 2 2 352.523 0.582 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000605425171 492094722 /nfs/dbraw/zinc/09/47/22/492094722.db2.gz YFUOXKIUIWYRLC-UHFFFAOYSA-N 2 2 366.506 0.302 20 0 FCADLP O=C(C[N@@H+](CCCO)C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000607192926 492140672 /nfs/dbraw/zinc/14/06/72/492140672.db2.gz UGQOCKOSICKKID-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@H+](CCCO)C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000607192926 492140674 /nfs/dbraw/zinc/14/06/74/492140674.db2.gz UGQOCKOSICKKID-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013273 492162350 /nfs/dbraw/zinc/16/23/50/492162350.db2.gz ZXIINZWYGVMGJA-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013273 492162352 /nfs/dbraw/zinc/16/23/52/492162352.db2.gz ZXIINZWYGVMGJA-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CN1CC[NH+](C)CC1 ZINC000608387688 492174963 /nfs/dbraw/zinc/17/49/63/492174963.db2.gz XCOANXVXTFSGJC-SFHVURJKSA-N 2 2 359.518 0.561 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000608691430 492187518 /nfs/dbraw/zinc/18/75/18/492187518.db2.gz SJLFZKPVZZLGMX-HOTGVXAUSA-N 2 2 362.478 0.817 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000608691430 492187519 /nfs/dbraw/zinc/18/75/19/492187519.db2.gz SJLFZKPVZZLGMX-HOTGVXAUSA-N 2 2 362.478 0.817 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000618305933 492221286 /nfs/dbraw/zinc/22/12/86/492221286.db2.gz MRFCUKXGOVPDBA-INIZCTEOSA-N 2 2 360.502 0.912 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000618305933 492221289 /nfs/dbraw/zinc/22/12/89/492221289.db2.gz MRFCUKXGOVPDBA-INIZCTEOSA-N 2 2 360.502 0.912 20 0 FCADLP CC(C)CN1C[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000618401268 492228087 /nfs/dbraw/zinc/22/80/87/492228087.db2.gz SVSSMIFAOZYJAK-MRXNPFEDSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)CN1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000618401268 492228088 /nfs/dbraw/zinc/22/80/88/492228088.db2.gz SVSSMIFAOZYJAK-MRXNPFEDSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250360 492239146 /nfs/dbraw/zinc/23/91/46/492239146.db2.gz WRJNNMJZHBDXBD-WMZOPIPTSA-N 2 2 360.506 0.626 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250360 492239149 /nfs/dbraw/zinc/23/91/49/492239149.db2.gz WRJNNMJZHBDXBD-WMZOPIPTSA-N 2 2 360.506 0.626 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000600216762 492249874 /nfs/dbraw/zinc/24/98/74/492249874.db2.gz BSSIWRQVVXIZAI-HNNXBMFYSA-N 2 2 356.463 0.695 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000600216762 492249875 /nfs/dbraw/zinc/24/98/75/492249875.db2.gz BSSIWRQVVXIZAI-HNNXBMFYSA-N 2 2 356.463 0.695 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000610908478 492268881 /nfs/dbraw/zinc/26/88/81/492268881.db2.gz VESBTJSYVYBMKK-KSZLIROESA-N 2 2 367.538 0.515 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000610908478 492268884 /nfs/dbraw/zinc/26/88/84/492268884.db2.gz VESBTJSYVYBMKK-KSZLIROESA-N 2 2 367.538 0.515 20 0 FCADLP COC(=O)[C@@H]1CC12CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000611154671 492279738 /nfs/dbraw/zinc/27/97/38/492279738.db2.gz UMOLCDGTVLNMQC-INIZCTEOSA-N 2 2 366.506 0.997 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000619971263 492284954 /nfs/dbraw/zinc/28/49/54/492284954.db2.gz MWMCFEBIYRQVIC-QZTJIDSGSA-N 2 2 364.534 0.774 20 0 FCADLP CCN1CC[NH+](CCC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000619971263 492284955 /nfs/dbraw/zinc/28/49/55/492284955.db2.gz MWMCFEBIYRQVIC-QZTJIDSGSA-N 2 2 364.534 0.774 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](CO)Cc3cnn(C)c3)c2cc1C ZINC000647537535 492303899 /nfs/dbraw/zinc/30/38/99/492303899.db2.gz MDJQQMZMCGMUBO-IRXDYDNUSA-N 2 2 357.458 0.941 20 0 FCADLP CCC(=O)N1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641786283 492305325 /nfs/dbraw/zinc/30/53/25/492305325.db2.gz KMILTLSZXVHADG-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474452 492312310 /nfs/dbraw/zinc/31/23/10/492312310.db2.gz OTCJVWVLXCNQRA-ZFWWWQNUSA-N 2 2 366.487 0.058 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481487 492312958 /nfs/dbraw/zinc/31/29/58/492312958.db2.gz FHAZISMXCCFLKZ-GOSISDBHSA-N 2 2 373.501 0.261 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620481487 492312961 /nfs/dbraw/zinc/31/29/61/492312961.db2.gz FHAZISMXCCFLKZ-GOSISDBHSA-N 2 2 373.501 0.261 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000654505719 492314311 /nfs/dbraw/zinc/31/43/11/492314311.db2.gz JNOURVOIQXGNPF-KRWDZBQOSA-N 2 2 368.547 0.484 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634196115 492325781 /nfs/dbraw/zinc/32/57/81/492325781.db2.gz LPVGCRHZFKMKIN-UHFFFAOYSA-N 2 2 369.491 0.491 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3nnn(C(C)(C)C)n3)c2)CC1 ZINC000634195382 492326553 /nfs/dbraw/zinc/32/65/53/492326553.db2.gz ZPPHIOJFYCJTSL-UHFFFAOYSA-N 2 2 358.450 0.756 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642079102 492332402 /nfs/dbraw/zinc/33/24/02/492332402.db2.gz OKECSPLPVDXAOV-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642079102 492332404 /nfs/dbraw/zinc/33/24/04/492332404.db2.gz OKECSPLPVDXAOV-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)[C@H]1C ZINC000620747174 492332510 /nfs/dbraw/zinc/33/25/10/492332510.db2.gz NKQIPHBOSFAODE-ZIAGYGMSSA-N 2 2 358.446 0.844 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)Cc2c[nH+]cn2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000620745609 492332628 /nfs/dbraw/zinc/33/26/28/492332628.db2.gz RNQUVZJVSIGRSX-OKILXGFUSA-N 2 2 358.446 0.387 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634303432 492335870 /nfs/dbraw/zinc/33/58/70/492335870.db2.gz TUIHCVJCVBFBJQ-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634303432 492335874 /nfs/dbraw/zinc/33/58/74/492335874.db2.gz TUIHCVJCVBFBJQ-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](CCc3cnccn3)CC1)C2 ZINC000634508859 492346887 /nfs/dbraw/zinc/34/68/87/492346887.db2.gz OSFILUOEVBLKCP-MRXNPFEDSA-N 2 2 354.458 0.931 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706522 492347622 /nfs/dbraw/zinc/34/76/22/492347622.db2.gz KVFZHZQNDHVTSQ-QZTJIDSGSA-N 2 2 359.470 0.800 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000642337514 492352754 /nfs/dbraw/zinc/35/27/54/492352754.db2.gz VSUOMYKVRLPHOV-YESZJQIVSA-N 2 2 366.506 0.380 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000654846912 492360413 /nfs/dbraw/zinc/36/04/13/492360413.db2.gz MQBRLSIIOBMNQB-OAHLLOKOSA-N 2 2 368.547 0.612 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815020 492365413 /nfs/dbraw/zinc/36/54/13/492365413.db2.gz LKVIQHPAPKVDBG-UHFFFAOYSA-N 2 2 366.487 0.797 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815020 492365417 /nfs/dbraw/zinc/36/54/17/492365417.db2.gz LKVIQHPAPKVDBG-UHFFFAOYSA-N 2 2 366.487 0.797 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)[nH+]c12 ZINC000642638869 492368073 /nfs/dbraw/zinc/36/80/73/492368073.db2.gz MYNAKXWHNJCBFG-MRXNPFEDSA-N 2 2 357.458 0.758 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)[nH+]c12 ZINC000642638847 492368112 /nfs/dbraw/zinc/36/81/12/492368112.db2.gz KAMLKMCRSVAUAR-DZGCQCFKSA-N 2 2 373.457 0.531 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@H]1[NH3+] ZINC000642638949 492368195 /nfs/dbraw/zinc/36/81/95/492368195.db2.gz XYOSZNIFLANZES-GDBMZVCRSA-N 2 2 357.458 0.887 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@H]1[NH3+] ZINC000642638950 492368350 /nfs/dbraw/zinc/36/83/50/492368350.db2.gz XYOSZNIFLANZES-GOEBONIOSA-N 2 2 357.458 0.887 20 0 FCADLP CC1(C)C[NH2+]CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000647841457 492369710 /nfs/dbraw/zinc/36/97/10/492369710.db2.gz VBPUPSYCMAHTDA-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@H+](CCC[NH3+])CC(=O)NCC(=O)Nc1ccccc1Br ZINC000647849326 492371358 /nfs/dbraw/zinc/37/13/58/492371358.db2.gz PERPYZDIEMRFLT-UHFFFAOYSA-N 2 2 357.252 0.784 20 0 FCADLP C[N@@H+](CCC[NH3+])CC(=O)NCC(=O)Nc1ccccc1Br ZINC000647849326 492371359 /nfs/dbraw/zinc/37/13/59/492371359.db2.gz PERPYZDIEMRFLT-UHFFFAOYSA-N 2 2 357.252 0.784 20 0 FCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863916 492373348 /nfs/dbraw/zinc/37/33/48/492373348.db2.gz MYZDPVDLGQQUSE-QMTHXVAHSA-N 2 2 354.838 0.816 20 0 FCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863916 492373352 /nfs/dbraw/zinc/37/33/52/492373352.db2.gz MYZDPVDLGQQUSE-QMTHXVAHSA-N 2 2 354.838 0.816 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NCC[NH2+]C3CC3)c[nH+]2)CC1 ZINC000642686690 492373744 /nfs/dbraw/zinc/37/37/44/492373744.db2.gz QPTJCRAFXVNWQN-UHFFFAOYSA-N 2 2 359.474 0.802 20 0 FCADLP O=S(=O)(c1ccccc1Cl)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647872206 492375702 /nfs/dbraw/zinc/37/57/02/492375702.db2.gz GRAVBRGURVWMBN-UHFFFAOYSA-N 2 2 372.922 0.552 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642708540 492376369 /nfs/dbraw/zinc/37/63/69/492376369.db2.gz YKDRLUYQSIFKBD-ROUUACIJSA-N 2 2 367.453 0.758 20 0 FCADLP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000654928435 492380865 /nfs/dbraw/zinc/38/08/65/492380865.db2.gz RVNRTQPDXSNPQQ-LJQANCHMSA-N 2 2 361.486 0.662 20 0 FCADLP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000654928435 492380869 /nfs/dbraw/zinc/38/08/69/492380869.db2.gz RVNRTQPDXSNPQQ-LJQANCHMSA-N 2 2 361.486 0.662 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)C3C[NH+](C4CCCCC4)C3)CCO2)CC1 ZINC000654954850 492383610 /nfs/dbraw/zinc/38/36/10/492383610.db2.gz MJOXVLQFKRUOLU-LJQANCHMSA-N 2 2 364.534 0.726 20 0 FCADLP CC1([NH3+])CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000647925274 492383995 /nfs/dbraw/zinc/38/39/95/492383995.db2.gz BNHVQTVEPGSYOO-UHFFFAOYSA-N 2 2 374.485 0.588 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647934762 492385596 /nfs/dbraw/zinc/38/55/96/492385596.db2.gz PBNIKRQQPXNGCM-TZMCWYRMSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647934762 492385598 /nfs/dbraw/zinc/38/55/98/492385598.db2.gz PBNIKRQQPXNGCM-TZMCWYRMSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936566 492385667 /nfs/dbraw/zinc/38/56/67/492385667.db2.gz HEPFTFQMNPEBCC-HUUCEWRRSA-N 2 2 362.540 0.222 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936566 492385669 /nfs/dbraw/zinc/38/56/69/492385669.db2.gz HEPFTFQMNPEBCC-HUUCEWRRSA-N 2 2 362.540 0.222 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@@H]1[NH3+] ZINC000647938425 492385872 /nfs/dbraw/zinc/38/58/72/492385872.db2.gz MVMFHQOQYYSVPF-HIFRSBDPSA-N 2 2 368.503 0.949 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@@H]1[NH3+] ZINC000647938425 492385877 /nfs/dbraw/zinc/38/58/77/492385877.db2.gz MVMFHQOQYYSVPF-HIFRSBDPSA-N 2 2 368.503 0.949 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@H]1[NH3+] ZINC000647938483 492386185 /nfs/dbraw/zinc/38/61/85/492386185.db2.gz OKHXQQUVJLYDRA-SWLSCSKDSA-N 2 2 366.487 0.282 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@H]1[NH3+] ZINC000647938483 492386188 /nfs/dbraw/zinc/38/61/88/492386188.db2.gz OKHXQQUVJLYDRA-SWLSCSKDSA-N 2 2 366.487 0.282 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC000627794826 492389244 /nfs/dbraw/zinc/38/92/44/492389244.db2.gz RZAVDJDTJAXZPC-CVEARBPZSA-N 2 2 352.479 0.038 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC000627794826 492389249 /nfs/dbraw/zinc/38/92/49/492389249.db2.gz RZAVDJDTJAXZPC-CVEARBPZSA-N 2 2 352.479 0.038 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635124433 492397157 /nfs/dbraw/zinc/39/71/57/492397157.db2.gz YITFCWIIYUJKBQ-AWEZNQCLSA-N 2 2 360.462 0.317 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635124433 492397160 /nfs/dbraw/zinc/39/71/60/492397160.db2.gz YITFCWIIYUJKBQ-AWEZNQCLSA-N 2 2 360.462 0.317 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000642902281 492399223 /nfs/dbraw/zinc/39/92/23/492399223.db2.gz OOGVQGISZCWSIK-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642905282 492400760 /nfs/dbraw/zinc/40/07/60/492400760.db2.gz JQDPMMQZNDZRPE-WBVHZDCISA-N 2 2 359.474 0.545 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981928 492410522 /nfs/dbraw/zinc/41/05/22/492410522.db2.gz LNBXITQQEDWINX-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981928 492410524 /nfs/dbraw/zinc/41/05/24/492410524.db2.gz LNBXITQQEDWINX-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621778736 492411206 /nfs/dbraw/zinc/41/12/06/492411206.db2.gz UOMRNATWRVEVJU-CLCXKQKWSA-N 2 2 360.458 0.766 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621778736 492411211 /nfs/dbraw/zinc/41/12/11/492411211.db2.gz UOMRNATWRVEVJU-CLCXKQKWSA-N 2 2 360.458 0.766 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000621838351 492421713 /nfs/dbraw/zinc/42/17/13/492421713.db2.gz CJUZYMONBJISAJ-DRMAHVMPSA-N 2 2 364.490 0.086 20 0 FCADLP C[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000648437218 492434859 /nfs/dbraw/zinc/43/48/59/492434859.db2.gz CVVOSRKJEMCNID-CQSZACIVSA-N 2 2 353.488 0.557 20 0 FCADLP C[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000648437217 492435074 /nfs/dbraw/zinc/43/50/74/492435074.db2.gz CVVOSRKJEMCNID-AWEZNQCLSA-N 2 2 353.488 0.557 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN(C)C(=O)C3CC3)CC2)CC1 ZINC000643362767 492439617 /nfs/dbraw/zinc/43/96/17/492439617.db2.gz JRBINVXHLDKJFP-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN(C)C(=O)C3CC3)CC2)CC1 ZINC000643362767 492439619 /nfs/dbraw/zinc/43/96/19/492439619.db2.gz JRBINVXHLDKJFP-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446708 492443908 /nfs/dbraw/zinc/44/39/08/492443908.db2.gz IIUCXAYMRURXEG-OXJNMPFZSA-N 2 2 371.485 0.789 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000655508633 492450058 /nfs/dbraw/zinc/45/00/58/492450058.db2.gz VHQHNMVBYOXWBX-BLLLJJGKSA-N 2 2 358.446 0.775 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CC[N@@H+]1C ZINC000648769470 492454002 /nfs/dbraw/zinc/45/40/02/492454002.db2.gz WAKZFLORKGOHNC-CZUORRHYSA-N 2 2 359.474 0.740 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CC[N@H+]1C ZINC000648769470 492454008 /nfs/dbraw/zinc/45/40/08/492454008.db2.gz WAKZFLORKGOHNC-CZUORRHYSA-N 2 2 359.474 0.740 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635499402 492458904 /nfs/dbraw/zinc/45/89/04/492458904.db2.gz BCNZJPCNECPKDN-INIZCTEOSA-N 2 2 370.538 0.650 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635499402 492458908 /nfs/dbraw/zinc/45/89/08/492458908.db2.gz BCNZJPCNECPKDN-INIZCTEOSA-N 2 2 370.538 0.650 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)N3CCC([NH+]4CCOCC4)CC3)ccn2)CC1 ZINC000628126539 492471991 /nfs/dbraw/zinc/47/19/91/492471991.db2.gz VYTJQGFVSSJPIU-UHFFFAOYSA-N 2 2 373.501 0.770 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000643476988 492473987 /nfs/dbraw/zinc/47/39/87/492473987.db2.gz MBGUEOYVLSJDFW-MOPGFXCFSA-N 2 2 370.497 0.707 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000643477025 492474486 /nfs/dbraw/zinc/47/44/86/492474486.db2.gz SNGLLRZGSZAPHO-RTBURBONSA-N 2 2 370.497 0.850 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479657 492475242 /nfs/dbraw/zinc/47/52/42/492475242.db2.gz HSLCMMBSLJXRIB-JKSUJKDBSA-N 2 2 362.499 0.603 20 0 FCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)NCc1ccccc1 ZINC000655700736 492477608 /nfs/dbraw/zinc/47/76/08/492477608.db2.gz OMLBSDBGMWJRBX-GOSISDBHSA-N 2 2 367.515 0.949 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655704624 492477656 /nfs/dbraw/zinc/47/76/56/492477656.db2.gz GYLBODCFOYJOBR-ZWKOTPCHSA-N 3 2 352.523 0.772 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655704624 492477659 /nfs/dbraw/zinc/47/76/59/492477659.db2.gz GYLBODCFOYJOBR-ZWKOTPCHSA-N 3 2 352.523 0.772 20 0 FCADLP O=C1[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1C1CCOCC1 ZINC000655731896 492478142 /nfs/dbraw/zinc/47/81/42/492478142.db2.gz VITPMTWBXBEQDD-ROUUACIJSA-N 2 2 351.491 0.999 20 0 FCADLP CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000649001504 492482339 /nfs/dbraw/zinc/48/23/39/492482339.db2.gz NUYLVSZHBNJZDD-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000649001504 492482343 /nfs/dbraw/zinc/48/23/43/492482343.db2.gz NUYLVSZHBNJZDD-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1c[nH+]cn1C ZINC000622690211 492483368 /nfs/dbraw/zinc/48/33/68/492483368.db2.gz KIFSMOIVVFWFPJ-MRXNPFEDSA-N 2 2 365.478 0.020 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000643503194 492483934 /nfs/dbraw/zinc/48/39/34/492483934.db2.gz VJQQRGYAPYJNSI-HIFRSBDPSA-N 2 2 364.446 0.240 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000643513720 492486359 /nfs/dbraw/zinc/48/63/59/492486359.db2.gz FZRJZHDWVYSHJF-ZIAGYGMSSA-N 2 2 359.474 0.496 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1C[NH3+] ZINC000643593370 492502633 /nfs/dbraw/zinc/50/26/33/492502633.db2.gz UUDONBVEQBYFCU-HOCLYGCPSA-N 2 2 364.515 0.978 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649284160 492521791 /nfs/dbraw/zinc/52/17/91/492521791.db2.gz RQXGORMTKQLAIK-LBPRGKRZSA-N 2 2 365.388 0.257 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000656062808 492526209 /nfs/dbraw/zinc/52/62/09/492526209.db2.gz RNTNRENBZKGFDO-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000649309121 492529061 /nfs/dbraw/zinc/52/90/61/492529061.db2.gz ZYBMEYCDJZNJSO-PBHICJAKSA-N 2 2 360.458 0.685 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928940 492529755 /nfs/dbraw/zinc/52/97/55/492529755.db2.gz OWIHOFHCSSBPFE-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928940 492529758 /nfs/dbraw/zinc/52/97/58/492529758.db2.gz OWIHOFHCSSBPFE-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928940 492529763 /nfs/dbraw/zinc/52/97/63/492529763.db2.gz OWIHOFHCSSBPFE-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000635928940 492529767 /nfs/dbraw/zinc/52/97/67/492529767.db2.gz OWIHOFHCSSBPFE-YQVWRLOYSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)cc1 ZINC000635928942 492529810 /nfs/dbraw/zinc/52/98/10/492529810.db2.gz OWIHOFHCSSBPFE-ZIFCJYIRSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)cc1 ZINC000635928942 492529814 /nfs/dbraw/zinc/52/98/14/492529814.db2.gz OWIHOFHCSSBPFE-ZIFCJYIRSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC000635928942 492529817 /nfs/dbraw/zinc/52/98/17/492529817.db2.gz OWIHOFHCSSBPFE-ZIFCJYIRSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000635928942 492529821 /nfs/dbraw/zinc/52/98/21/492529821.db2.gz OWIHOFHCSSBPFE-ZIFCJYIRSA-N 2 2 359.470 0.937 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077853 492539064 /nfs/dbraw/zinc/53/90/64/492539064.db2.gz XRMGFYVKMNAEEW-HMDCTGQHSA-N 2 2 368.522 0.541 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077853 492539069 /nfs/dbraw/zinc/53/90/69/492539069.db2.gz XRMGFYVKMNAEEW-HMDCTGQHSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077853 492539072 /nfs/dbraw/zinc/53/90/72/492539072.db2.gz XRMGFYVKMNAEEW-HMDCTGQHSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077853 492539078 /nfs/dbraw/zinc/53/90/78/492539078.db2.gz XRMGFYVKMNAEEW-HMDCTGQHSA-N 2 2 368.522 0.541 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000649410521 492551412 /nfs/dbraw/zinc/55/14/12/492551412.db2.gz GSOARMITEWNQSN-YJBOKZPZSA-N 2 2 362.474 0.505 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000649409748 492551663 /nfs/dbraw/zinc/55/16/63/492551663.db2.gz RVYJLZKGSZQMKH-UHFFFAOYSA-N 2 2 362.503 0.768 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000649409748 492551666 /nfs/dbraw/zinc/55/16/66/492551666.db2.gz RVYJLZKGSZQMKH-UHFFFAOYSA-N 2 2 362.503 0.768 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623425085 492553921 /nfs/dbraw/zinc/55/39/21/492553921.db2.gz QKOPTFQDDQZOMK-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)[NH+]2CCOCC2)s1 ZINC000643778068 492555445 /nfs/dbraw/zinc/55/54/45/492555445.db2.gz DQJIXBXPZOVLNY-CABCVRRESA-N 2 2 353.488 0.782 20 0 FCADLP CS(=O)(=O)Nc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000623618465 492574441 /nfs/dbraw/zinc/57/44/41/492574441.db2.gz SEHDPEWXJZZBSS-HNNXBMFYSA-N 2 2 354.476 0.488 20 0 FCADLP CS(=O)(=O)Nc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000623618465 492574444 /nfs/dbraw/zinc/57/44/44/492574444.db2.gz SEHDPEWXJZZBSS-HNNXBMFYSA-N 2 2 354.476 0.488 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)n1 ZINC000636293730 492577518 /nfs/dbraw/zinc/57/75/18/492577518.db2.gz ZQTNXTGWVBZUMZ-UHFFFAOYSA-N 2 2 356.474 0.840 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000656307628 492581933 /nfs/dbraw/zinc/58/19/33/492581933.db2.gz SUHUVCADFWXIJB-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP NC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000643861372 492586673 /nfs/dbraw/zinc/58/66/73/492586673.db2.gz IDFGUVBMGPSDJG-KRWDZBQOSA-N 2 2 370.457 0.656 20 0 FCADLP NC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000643861372 492586676 /nfs/dbraw/zinc/58/66/76/492586676.db2.gz IDFGUVBMGPSDJG-KRWDZBQOSA-N 2 2 370.457 0.656 20 0 FCADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]2COC[C@H]2O1 ZINC000649910762 492596877 /nfs/dbraw/zinc/59/68/77/492596877.db2.gz CISYCMPTQCOZHR-IAGOWNOFSA-N 2 2 374.485 0.999 20 0 FCADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]2COC[C@H]2O1 ZINC000649910762 492596878 /nfs/dbraw/zinc/59/68/78/492596878.db2.gz CISYCMPTQCOZHR-IAGOWNOFSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000643884426 492599413 /nfs/dbraw/zinc/59/94/13/492599413.db2.gz WZZAQJZHJKWJBS-PBFPGSCMSA-N 2 2 353.488 0.682 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000636491990 492599511 /nfs/dbraw/zinc/59/95/11/492599511.db2.gz CLZKRBRJSGBKGK-CHWSQXEVSA-N 2 2 351.451 0.372 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656358935 492612605 /nfs/dbraw/zinc/61/26/05/492612605.db2.gz NIDVXMPDRFWLHY-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656358935 492612609 /nfs/dbraw/zinc/61/26/09/492612609.db2.gz NIDVXMPDRFWLHY-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656358935 492612612 /nfs/dbraw/zinc/61/26/12/492612612.db2.gz NIDVXMPDRFWLHY-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656358935 492612616 /nfs/dbraw/zinc/61/26/16/492612616.db2.gz NIDVXMPDRFWLHY-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700767 492643355 /nfs/dbraw/zinc/64/33/55/492643355.db2.gz ZQCYCOSOMWCEJV-ROUUACIJSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700767 492643358 /nfs/dbraw/zinc/64/33/58/492643358.db2.gz ZQCYCOSOMWCEJV-ROUUACIJSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656700767 492643361 /nfs/dbraw/zinc/64/33/61/492643361.db2.gz ZQCYCOSOMWCEJV-ROUUACIJSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656700767 492643365 /nfs/dbraw/zinc/64/33/65/492643365.db2.gz ZQCYCOSOMWCEJV-ROUUACIJSA-N 2 2 374.489 0.948 20 0 FCADLP O=S(=O)(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000629554188 492644800 /nfs/dbraw/zinc/64/48/00/492644800.db2.gz BZLYARDYLXINTI-CQSZACIVSA-N 2 2 361.895 0.665 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629560202 492645387 /nfs/dbraw/zinc/64/53/87/492645387.db2.gz DPAOSIDQUHCZID-BFHYXJOUSA-N 2 2 364.412 0.573 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629560202 492645389 /nfs/dbraw/zinc/64/53/89/492645389.db2.gz DPAOSIDQUHCZID-BFHYXJOUSA-N 2 2 364.412 0.573 20 0 FCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650559759 492649985 /nfs/dbraw/zinc/64/99/85/492649985.db2.gz KHIOUNISNHGERR-RTBURBONSA-N 2 2 374.485 0.348 20 0 FCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650559759 492649988 /nfs/dbraw/zinc/64/99/88/492649988.db2.gz KHIOUNISNHGERR-RTBURBONSA-N 2 2 374.485 0.348 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650559759 492649993 /nfs/dbraw/zinc/64/99/93/492649993.db2.gz KHIOUNISNHGERR-RTBURBONSA-N 2 2 374.485 0.348 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000650559759 492649995 /nfs/dbraw/zinc/64/99/95/492649995.db2.gz KHIOUNISNHGERR-RTBURBONSA-N 2 2 374.485 0.348 20 0 FCADLP COc1ccc(S(=O)(=O)N2CC([NH2+]C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000629573137 492650971 /nfs/dbraw/zinc/65/09/71/492650971.db2.gz CIDLGYGMMCFRGJ-HNNXBMFYSA-N 2 2 369.487 0.114 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668687 492654640 /nfs/dbraw/zinc/65/46/40/492654640.db2.gz PLZSUIBKSAORCY-WBVHZDCISA-N 2 2 369.469 0.921 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668687 492654645 /nfs/dbraw/zinc/65/46/45/492654645.db2.gz PLZSUIBKSAORCY-WBVHZDCISA-N 2 2 369.469 0.921 20 0 FCADLP COCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644161393 492655702 /nfs/dbraw/zinc/65/57/02/492655702.db2.gz VAUFERBUUPCTRY-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP COCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000644161393 492655703 /nfs/dbraw/zinc/65/57/03/492655703.db2.gz VAUFERBUUPCTRY-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000629578617 492655797 /nfs/dbraw/zinc/65/57/97/492655797.db2.gz UGHPVKIRXFJBEG-UHFFFAOYSA-N 3 2 350.463 0.364 20 0 FCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000629578617 492655801 /nfs/dbraw/zinc/65/58/01/492655801.db2.gz UGHPVKIRXFJBEG-UHFFFAOYSA-N 3 2 350.463 0.364 20 0 FCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000629578617 492655805 /nfs/dbraw/zinc/65/58/05/492655805.db2.gz UGHPVKIRXFJBEG-UHFFFAOYSA-N 2 2 350.463 0.364 20 0 FCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000629578617 492655808 /nfs/dbraw/zinc/65/58/08/492655808.db2.gz UGHPVKIRXFJBEG-UHFFFAOYSA-N 2 2 350.463 0.364 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000629607891 492658372 /nfs/dbraw/zinc/65/83/72/492658372.db2.gz RAMZLQMXLSBCEY-SFHVURJKSA-N 2 2 374.485 0.755 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650658630 492658517 /nfs/dbraw/zinc/65/85/17/492658517.db2.gz GEIUKIRRLZZKIS-MOPGFXCFSA-N 2 2 374.485 0.520 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650658630 492658520 /nfs/dbraw/zinc/65/85/20/492658520.db2.gz GEIUKIRRLZZKIS-MOPGFXCFSA-N 2 2 374.485 0.520 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@H](c2ccccc2)C1 ZINC000629786086 492671336 /nfs/dbraw/zinc/67/13/36/492671336.db2.gz KNDJVNLKVUSAON-DZFGPLHGSA-N 2 2 370.497 0.960 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@H](c2ccccc2)C1 ZINC000629786086 492671341 /nfs/dbraw/zinc/67/13/41/492671341.db2.gz KNDJVNLKVUSAON-DZFGPLHGSA-N 2 2 370.497 0.960 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000644226647 492673046 /nfs/dbraw/zinc/67/30/46/492673046.db2.gz ROTYNOBEHOHLLV-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000629795720 492675512 /nfs/dbraw/zinc/67/55/12/492675512.db2.gz LPZUDKNLDKUFJF-OAHLLOKOSA-N 2 2 362.474 0.708 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629796944 492676383 /nfs/dbraw/zinc/67/63/83/492676383.db2.gz MUFPIZMVTMSDRX-INIZCTEOSA-N 2 2 362.474 0.153 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629796944 492676388 /nfs/dbraw/zinc/67/63/88/492676388.db2.gz MUFPIZMVTMSDRX-INIZCTEOSA-N 2 2 362.474 0.153 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636788946 492693326 /nfs/dbraw/zinc/69/33/26/492693326.db2.gz CMYYUFVOOBFHIU-RDTXWAMCSA-N 2 2 352.479 0.138 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636788946 492693329 /nfs/dbraw/zinc/69/33/29/492693329.db2.gz CMYYUFVOOBFHIU-RDTXWAMCSA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636788946 492693332 /nfs/dbraw/zinc/69/33/32/492693332.db2.gz CMYYUFVOOBFHIU-RDTXWAMCSA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636788946 492693334 /nfs/dbraw/zinc/69/33/34/492693334.db2.gz CMYYUFVOOBFHIU-RDTXWAMCSA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793818 492695725 /nfs/dbraw/zinc/69/57/25/492695725.db2.gz GZKWEINQQKVCJG-IUODEOHRSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793818 492695728 /nfs/dbraw/zinc/69/57/28/492695728.db2.gz GZKWEINQQKVCJG-IUODEOHRSA-N 2 2 356.417 0.933 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000651044461 492699885 /nfs/dbraw/zinc/69/98/85/492699885.db2.gz LOZCELFADYESLK-HNNXBMFYSA-N 2 2 351.451 0.188 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@@H+]1C ZINC000636843862 492707705 /nfs/dbraw/zinc/70/77/05/492707705.db2.gz MIWGLSZTCRFHEX-RVKKMQEKSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@H+]1C ZINC000636843862 492707709 /nfs/dbraw/zinc/70/77/09/492707709.db2.gz MIWGLSZTCRFHEX-RVKKMQEKSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC[NH+]1C ZINC000636843862 492707716 /nfs/dbraw/zinc/70/77/16/492707716.db2.gz MIWGLSZTCRFHEX-RVKKMQEKSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000644367166 492726054 /nfs/dbraw/zinc/72/60/54/492726054.db2.gz LPLVNBFUGAEUPO-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1 ZINC000644367166 492726058 /nfs/dbraw/zinc/72/60/58/492726058.db2.gz LPLVNBFUGAEUPO-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644367166 492726060 /nfs/dbraw/zinc/72/60/60/492726060.db2.gz LPLVNBFUGAEUPO-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644367166 492726063 /nfs/dbraw/zinc/72/60/63/492726063.db2.gz LPLVNBFUGAEUPO-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315561 492740662 /nfs/dbraw/zinc/74/06/62/492740662.db2.gz ZAWGLIVUGGBNPZ-ZBFHGGJFSA-N 2 2 361.494 0.253 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315561 492740665 /nfs/dbraw/zinc/74/06/65/492740665.db2.gz ZAWGLIVUGGBNPZ-ZBFHGGJFSA-N 2 2 361.494 0.253 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnnn2CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315559 492741032 /nfs/dbraw/zinc/74/10/32/492741032.db2.gz ZAWGLIVUGGBNPZ-GOEBONIOSA-N 2 2 361.494 0.253 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnnn2CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315559 492741034 /nfs/dbraw/zinc/74/10/34/492741034.db2.gz ZAWGLIVUGGBNPZ-GOEBONIOSA-N 2 2 361.494 0.253 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cnc(C)n3C)CC2)CC1 ZINC000625262212 492747574 /nfs/dbraw/zinc/74/75/74/492747574.db2.gz KGGOENRYWCOULQ-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cnc(C)n3C)CC2)CC1 ZINC000625262212 492747579 /nfs/dbraw/zinc/74/75/79/492747579.db2.gz KGGOENRYWCOULQ-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2cccc(NC(=O)C[NH3+])c2)nn1 ZINC000630611834 492755066 /nfs/dbraw/zinc/75/50/66/492755066.db2.gz LMIVHJPYNFICDM-UHFFFAOYSA-N 3 2 359.478 0.726 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2cccc(NC(=O)C[NH3+])c2)nn1 ZINC000630611834 492755071 /nfs/dbraw/zinc/75/50/71/492755071.db2.gz LMIVHJPYNFICDM-UHFFFAOYSA-N 3 2 359.478 0.726 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000630862821 492779723 /nfs/dbraw/zinc/77/97/23/492779723.db2.gz MZLOYIRODXHXDP-UHFFFAOYSA-N 3 2 362.522 0.733 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccccc1F ZINC000644569658 492785820 /nfs/dbraw/zinc/78/58/20/492785820.db2.gz JMODVXNCCYRNEE-IRXDYDNUSA-N 2 2 367.465 0.562 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569131 492786237 /nfs/dbraw/zinc/78/62/37/492786237.db2.gz LJTNDLAOSDKNIE-MOPGFXCFSA-N 2 2 363.502 0.731 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577676 492786695 /nfs/dbraw/zinc/78/66/95/492786695.db2.gz NATZCAJSUJWTSM-ZWKOTPCHSA-N 2 2 371.485 0.998 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577676 492786702 /nfs/dbraw/zinc/78/67/02/492786702.db2.gz NATZCAJSUJWTSM-ZWKOTPCHSA-N 2 2 371.485 0.998 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000644610945 492790833 /nfs/dbraw/zinc/79/08/33/492790833.db2.gz AEFGFURJCAYXJY-NUJGCVRESA-N 3 2 366.506 0.582 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000637232297 492793689 /nfs/dbraw/zinc/79/36/89/492793689.db2.gz BTNQIHLYEHEIQG-LADRWXRNSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000637232297 492793693 /nfs/dbraw/zinc/79/36/93/492793693.db2.gz BTNQIHLYEHEIQG-LADRWXRNSA-N 2 2 368.522 0.774 20 0 FCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1S(N)(=O)=O ZINC000644633871 492794070 /nfs/dbraw/zinc/79/40/70/492794070.db2.gz UOYYZNZIELDTOK-LZWOXQAQSA-N 2 2 371.503 0.202 20 0 FCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1S(N)(=O)=O ZINC000644633871 492794072 /nfs/dbraw/zinc/79/40/72/492794072.db2.gz UOYYZNZIELDTOK-LZWOXQAQSA-N 2 2 371.503 0.202 20 0 FCADLP CS(=O)(=O)NCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631052519 492795389 /nfs/dbraw/zinc/79/53/89/492795389.db2.gz MXODOZIZFXGTTC-UHFFFAOYSA-N 2 2 357.476 0.036 20 0 FCADLP Cn1cc([C@@H](CO)[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000631102617 492797544 /nfs/dbraw/zinc/79/75/44/492797544.db2.gz YOFPCJZGMLTOLT-LJQANCHMSA-N 2 2 360.458 0.954 20 0 FCADLP CCn1ncc(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000657824212 492799591 /nfs/dbraw/zinc/79/95/91/492799591.db2.gz OPHAAOLJKMIXRN-UHFFFAOYSA-N 2 2 364.494 0.634 20 0 FCADLP CCn1ncc(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000657824212 492799594 /nfs/dbraw/zinc/79/95/94/492799594.db2.gz OPHAAOLJKMIXRN-UHFFFAOYSA-N 2 2 364.494 0.634 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257818 492807298 /nfs/dbraw/zinc/80/72/98/492807298.db2.gz FSFJWNZBNQAJEQ-UGSOOPFHSA-N 2 2 361.442 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257818 492807300 /nfs/dbraw/zinc/80/73/00/492807300.db2.gz FSFJWNZBNQAJEQ-UGSOOPFHSA-N 2 2 361.442 0.817 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Cn4cccn4)on3)C2)CC1 ZINC000644795762 492808240 /nfs/dbraw/zinc/80/82/40/492808240.db2.gz HSSXYSMFIMVQPW-CQSZACIVSA-N 2 2 358.446 0.818 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Cn4cccn4)on3)C2)CC1 ZINC000644795762 492808242 /nfs/dbraw/zinc/80/82/42/492808242.db2.gz HSSXYSMFIMVQPW-CQSZACIVSA-N 2 2 358.446 0.818 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](n4ccnn4)C3)C2)CC1 ZINC000644936023 492831011 /nfs/dbraw/zinc/83/10/11/492831011.db2.gz ZKZQJRFMVGQJGA-RDJZCZTQSA-N 2 2 361.494 0.793 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](n4ccnn4)C3)C2)CC1 ZINC000644936023 492831015 /nfs/dbraw/zinc/83/10/15/492831015.db2.gz ZKZQJRFMVGQJGA-RDJZCZTQSA-N 2 2 361.494 0.793 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000644954246 492833404 /nfs/dbraw/zinc/83/34/04/492833404.db2.gz NQYGHWUXIDUMIY-CABCVRRESA-N 2 2 355.446 0.726 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000644954246 492833406 /nfs/dbraw/zinc/83/34/06/492833406.db2.gz NQYGHWUXIDUMIY-CABCVRRESA-N 2 2 355.446 0.726 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccsc1 ZINC000631719803 492839995 /nfs/dbraw/zinc/83/99/95/492839995.db2.gz ADVXWPAQAJBPLI-MRXNPFEDSA-N 2 2 374.576 0.908 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)O1 ZINC000631798701 492855508 /nfs/dbraw/zinc/85/55/08/492855508.db2.gz XSDIXLMHTZKJHU-XHSDSOJGSA-N 2 2 359.536 0.984 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)O1 ZINC000631798701 492855509 /nfs/dbraw/zinc/85/55/09/492855509.db2.gz XSDIXLMHTZKJHU-XHSDSOJGSA-N 2 2 359.536 0.984 20 0 FCADLP CC(C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@]1(O)CCCOC1 ZINC000658310090 492859119 /nfs/dbraw/zinc/85/91/19/492859119.db2.gz KXHAUEJANIWRSW-HXUWFJFHSA-N 2 2 369.550 0.940 20 0 FCADLP CC(C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@]1(O)CCCOC1 ZINC000658310090 492859122 /nfs/dbraw/zinc/85/91/22/492859122.db2.gz KXHAUEJANIWRSW-HXUWFJFHSA-N 2 2 369.550 0.940 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631910719 492876362 /nfs/dbraw/zinc/87/63/62/492876362.db2.gz MAOJZGQJMBDJSF-OKILXGFUSA-N 2 2 362.540 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631910719 492876367 /nfs/dbraw/zinc/87/63/67/492876367.db2.gz MAOJZGQJMBDJSF-OKILXGFUSA-N 2 2 362.540 0.392 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000658419565 492878136 /nfs/dbraw/zinc/87/81/36/492878136.db2.gz GUKYVVQYOMYTJB-KGLIPLIRSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000658419565 492878143 /nfs/dbraw/zinc/87/81/43/492878143.db2.gz GUKYVVQYOMYTJB-KGLIPLIRSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000658419565 492878145 /nfs/dbraw/zinc/87/81/45/492878145.db2.gz GUKYVVQYOMYTJB-KGLIPLIRSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000658419565 492878149 /nfs/dbraw/zinc/87/81/49/492878149.db2.gz GUKYVVQYOMYTJB-KGLIPLIRSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@H](C)CO1 ZINC000658419711 492878911 /nfs/dbraw/zinc/87/89/11/492878911.db2.gz IULNANBFSFROMO-ZIAGYGMSSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@H](C)CO1 ZINC000658419711 492878913 /nfs/dbraw/zinc/87/89/13/492878913.db2.gz IULNANBFSFROMO-ZIAGYGMSSA-N 2 2 372.429 0.431 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000645221359 492879286 /nfs/dbraw/zinc/87/92/86/492879286.db2.gz KLRKIHHMLOWSSB-UHFFFAOYSA-N 2 2 372.473 0.902 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645220844 492879367 /nfs/dbraw/zinc/87/93/67/492879367.db2.gz FAMVHXZQKJTWHF-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP CC[C@H](C)[C@@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000637941717 492882050 /nfs/dbraw/zinc/88/20/50/492882050.db2.gz FNVKOFOAXHCENP-JKSUJKDBSA-N 2 2 362.540 0.157 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145876 492886338 /nfs/dbraw/zinc/88/63/38/492886338.db2.gz BIPTTZMVTHYUEZ-LTIDMASMSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145876 492886341 /nfs/dbraw/zinc/88/63/41/492886341.db2.gz BIPTTZMVTHYUEZ-LTIDMASMSA-N 2 2 354.495 0.635 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)C1 ZINC000652182920 492891403 /nfs/dbraw/zinc/89/14/03/492891403.db2.gz HLYZOZGBCNXTRR-BRWVUGGUSA-N 2 2 366.506 0.779 20 0 FCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000638056866 492897452 /nfs/dbraw/zinc/89/74/52/492897452.db2.gz MBCSBHVCRBUWDW-APWZRJJASA-N 2 2 357.458 0.746 20 0 FCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCOC4(CC[NH+](C)CC4)C3)[nH+]cn2)C1 ZINC000645385908 492901484 /nfs/dbraw/zinc/90/14/84/492901484.db2.gz VOWOJCIMAOAVPA-HZPDHXFCSA-N 2 2 361.490 0.985 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000658458940 492902943 /nfs/dbraw/zinc/90/29/43/492902943.db2.gz OOSGECZUGYJIBB-QGZVFWFLSA-N 2 2 364.490 0.006 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090318 492903204 /nfs/dbraw/zinc/90/32/04/492903204.db2.gz HZYFYCOTPKGWJY-GHMZBOCLSA-N 2 2 358.393 0.201 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090318 492903207 /nfs/dbraw/zinc/90/32/07/492903207.db2.gz HZYFYCOTPKGWJY-GHMZBOCLSA-N 2 2 358.393 0.201 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn(-c4ccccn4)c3N)C2)CC1 ZINC000645407566 492903306 /nfs/dbraw/zinc/90/33/06/492903306.db2.gz FPSIXQIAHAUVBM-AWEZNQCLSA-N 2 2 369.473 0.748 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn(-c4ccccn4)c3N)C2)CC1 ZINC000645407566 492903309 /nfs/dbraw/zinc/90/33/09/492903309.db2.gz FPSIXQIAHAUVBM-AWEZNQCLSA-N 2 2 369.473 0.748 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638091015 492903372 /nfs/dbraw/zinc/90/33/72/492903372.db2.gz NWZKLBDPQPVBSQ-LLVKDONJSA-N 2 2 372.420 0.591 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638091015 492903375 /nfs/dbraw/zinc/90/33/75/492903375.db2.gz NWZKLBDPQPVBSQ-LLVKDONJSA-N 2 2 372.420 0.591 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000638108804 492907748 /nfs/dbraw/zinc/90/77/48/492907748.db2.gz AUDCQUBPFUXXFM-KRWDZBQOSA-N 2 2 373.457 0.732 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000638116762 492909180 /nfs/dbraw/zinc/90/91/80/492909180.db2.gz GFEPPELZUGLASE-WMZOPIPTSA-N 2 2 362.474 0.218 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000638116762 492909182 /nfs/dbraw/zinc/90/91/82/492909182.db2.gz GFEPPELZUGLASE-WMZOPIPTSA-N 2 2 362.474 0.218 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000638112291 492909718 /nfs/dbraw/zinc/90/97/18/492909718.db2.gz XVYHHIIIPGOTSE-KRWDZBQOSA-N 2 2 359.430 0.862 20 0 FCADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)n[nH]1 ZINC000652335799 492911200 /nfs/dbraw/zinc/91/12/00/492911200.db2.gz HQDIHYHKYGBEIS-UHFFFAOYSA-N 2 2 371.489 0.864 20 0 FCADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)n[nH]1 ZINC000652335799 492911204 /nfs/dbraw/zinc/91/12/04/492911204.db2.gz HQDIHYHKYGBEIS-UHFFFAOYSA-N 2 2 371.489 0.864 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000658494733 492913173 /nfs/dbraw/zinc/91/31/73/492913173.db2.gz GKPOSGQWQDQIQC-LJQANCHMSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000658494733 492913175 /nfs/dbraw/zinc/91/31/75/492913175.db2.gz GKPOSGQWQDQIQC-LJQANCHMSA-N 2 2 370.497 0.931 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC1=CCSC1 ZINC000658495716 492913861 /nfs/dbraw/zinc/91/38/61/492913861.db2.gz UXBGIIRLPQBZQJ-UHFFFAOYSA-N 2 2 368.547 0.602 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC1=CCSC1 ZINC000658495716 492913864 /nfs/dbraw/zinc/91/38/64/492913864.db2.gz UXBGIIRLPQBZQJ-UHFFFAOYSA-N 2 2 368.547 0.602 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136764 492914924 /nfs/dbraw/zinc/91/49/24/492914924.db2.gz AUJJSBTXRHKPRC-QAPCUYQASA-N 2 2 366.531 0.792 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136764 492914926 /nfs/dbraw/zinc/91/49/26/492914926.db2.gz AUJJSBTXRHKPRC-QAPCUYQASA-N 2 2 366.531 0.792 20 0 FCADLP [NH3+]Cc1ncc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000638137372 492915890 /nfs/dbraw/zinc/91/58/90/492915890.db2.gz JKDJFLNRZDOQNH-UHFFFAOYSA-N 2 2 358.421 0.626 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000652359328 492916502 /nfs/dbraw/zinc/91/65/02/492916502.db2.gz DSBDXZLJBKEKQE-ZBFHGGJFSA-N 2 2 359.536 0.861 20 0 FCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000638139953 492917990 /nfs/dbraw/zinc/91/79/90/492917990.db2.gz IIAONQAVBXZHCL-UHFFFAOYSA-N 2 2 372.473 0.281 20 0 FCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000638139953 492917995 /nfs/dbraw/zinc/91/79/95/492917995.db2.gz IIAONQAVBXZHCL-UHFFFAOYSA-N 2 2 372.473 0.281 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H]1c1[nH+]ccn1C ZINC000638164902 492920293 /nfs/dbraw/zinc/92/02/93/492920293.db2.gz NBMKCGMSJHRGMK-RLFYNMQTSA-N 2 2 363.462 0.214 20 0 FCADLP NS(=O)(=O)NC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000626035784 492920730 /nfs/dbraw/zinc/92/07/30/492920730.db2.gz BSOIPXZKUZJDCQ-UHFFFAOYSA-N 2 2 368.503 0.276 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000638185476 492921709 /nfs/dbraw/zinc/92/17/09/492921709.db2.gz WCPRKCDEPVLNJX-OWCLPIDISA-N 2 2 351.495 0.452 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626044261 492921836 /nfs/dbraw/zinc/92/18/36/492921836.db2.gz WYUQGSGXCGBJTO-IZAXUBKRSA-N 2 2 373.497 0.968 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626044261 492921838 /nfs/dbraw/zinc/92/18/38/492921838.db2.gz WYUQGSGXCGBJTO-IZAXUBKRSA-N 2 2 373.497 0.968 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000632079507 492924949 /nfs/dbraw/zinc/92/49/49/492924949.db2.gz UIIXQBQMESVRGD-UHFFFAOYSA-N 2 2 355.508 0.556 20 0 FCADLP C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000632099555 492928845 /nfs/dbraw/zinc/92/88/45/492928845.db2.gz LGKMNKAPQYSOGU-DLBZAZTESA-N 2 2 369.535 0.733 20 0 FCADLP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658535338 492934270 /nfs/dbraw/zinc/93/42/70/492934270.db2.gz HZNCMJRALFINRU-GOSISDBHSA-N 2 2 374.485 0.662 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638320142 492934473 /nfs/dbraw/zinc/93/44/73/492934473.db2.gz XDDJZAUVGPAARM-XYJFISCASA-N 2 2 367.469 0.546 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638320142 492934476 /nfs/dbraw/zinc/93/44/76/492934476.db2.gz XDDJZAUVGPAARM-XYJFISCASA-N 2 2 367.469 0.546 20 0 FCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000638406112 492942899 /nfs/dbraw/zinc/94/28/99/492942899.db2.gz FOAXHDSUBCONQR-FTEYMNFISA-N 2 2 359.470 0.865 20 0 FCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000638406112 492942903 /nfs/dbraw/zinc/94/29/03/492942903.db2.gz FOAXHDSUBCONQR-FTEYMNFISA-N 2 2 359.470 0.865 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638396460 492942939 /nfs/dbraw/zinc/94/29/39/492942939.db2.gz KMGXOUXVMADMFP-QGZVFWFLSA-N 2 2 351.447 0.502 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)[C@@H](C)CO1 ZINC000638407141 492944238 /nfs/dbraw/zinc/94/42/38/492944238.db2.gz UOAXHPZWWBSAMN-TUAOUCFPSA-N 2 2 372.420 0.589 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)[C@@H](C)CO1 ZINC000638407141 492944244 /nfs/dbraw/zinc/94/42/44/492944244.db2.gz UOAXHPZWWBSAMN-TUAOUCFPSA-N 2 2 372.420 0.589 20 0 FCADLP Cc1cc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(C)[nH+]1 ZINC000658569641 492959752 /nfs/dbraw/zinc/95/97/52/492959752.db2.gz BOAYJUYNTHTANJ-UHFFFAOYSA-N 2 2 363.462 0.424 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000638753218 492975432 /nfs/dbraw/zinc/97/54/32/492975432.db2.gz SERHTHGDMRRXEF-IRXDYDNUSA-N 2 2 355.446 0.488 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000638753218 492975437 /nfs/dbraw/zinc/97/54/37/492975437.db2.gz SERHTHGDMRRXEF-IRXDYDNUSA-N 2 2 355.446 0.488 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000658615973 492982054 /nfs/dbraw/zinc/98/20/54/492982054.db2.gz AXTZTODELPSTIF-GASCZTMLSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000658615973 492982055 /nfs/dbraw/zinc/98/20/55/492982055.db2.gz AXTZTODELPSTIF-GASCZTMLSA-N 2 2 370.563 0.823 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652672925 492984619 /nfs/dbraw/zinc/98/46/19/492984619.db2.gz ZPNKGDZPXUPLMD-UHFFFAOYSA-N 2 2 357.458 0.967 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000652673024 492984803 /nfs/dbraw/zinc/98/48/03/492984803.db2.gz CHMJGJRDDUSRIN-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000652673025 492984914 /nfs/dbraw/zinc/98/49/14/492984914.db2.gz CHMJGJRDDUSRIN-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000652673022 492985279 /nfs/dbraw/zinc/98/52/79/492985279.db2.gz CHMJGJRDDUSRIN-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658623648 492985572 /nfs/dbraw/zinc/98/55/72/492985572.db2.gz YWZHOOQNEVNXQT-MRXNPFEDSA-N 2 2 364.490 0.006 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658626220 492986342 /nfs/dbraw/zinc/98/63/42/492986342.db2.gz MUABJWOLHNWDTN-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658626220 492986348 /nfs/dbraw/zinc/98/63/48/492986348.db2.gz MUABJWOLHNWDTN-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000639003262 492991831 /nfs/dbraw/zinc/99/18/31/492991831.db2.gz FTNFCGNFOORYTG-GOSISDBHSA-N 2 2 355.442 0.872 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652697530 492992890 /nfs/dbraw/zinc/99/28/90/492992890.db2.gz HEWFDVMTZTYRMD-ROUUACIJSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652697530 492992892 /nfs/dbraw/zinc/99/28/92/492992892.db2.gz HEWFDVMTZTYRMD-ROUUACIJSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652704171 492995446 /nfs/dbraw/zinc/99/54/46/492995446.db2.gz HAQHBXCAIHYJOT-KURKYZTESA-N 2 2 358.486 0.615 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652704171 492995450 /nfs/dbraw/zinc/99/54/50/492995450.db2.gz HAQHBXCAIHYJOT-KURKYZTESA-N 2 2 358.486 0.615 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652703614 492995491 /nfs/dbraw/zinc/99/54/91/492995491.db2.gz WEWRXTODODXSQZ-BPQIPLTHSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652703614 492995493 /nfs/dbraw/zinc/99/54/93/492995493.db2.gz WEWRXTODODXSQZ-BPQIPLTHSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652703616 492995529 /nfs/dbraw/zinc/99/55/29/492995529.db2.gz WEWRXTODODXSQZ-NJAFHUGGSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652703616 492995532 /nfs/dbraw/zinc/99/55/32/492995532.db2.gz WEWRXTODODXSQZ-NJAFHUGGSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981748 492996163 /nfs/dbraw/zinc/99/61/63/492996163.db2.gz XDNCKPVJJROVEM-XHSDSOJGSA-N 2 2 374.489 0.396 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981748 492996167 /nfs/dbraw/zinc/99/61/67/492996167.db2.gz XDNCKPVJJROVEM-XHSDSOJGSA-N 2 2 374.489 0.396 20 0 FCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009534 493001454 /nfs/dbraw/zinc/00/14/54/493001454.db2.gz QOUHUUWDLXXSJE-DYVFJYSZSA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009534 493001457 /nfs/dbraw/zinc/00/14/57/493001457.db2.gz QOUHUUWDLXXSJE-DYVFJYSZSA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009535 493001522 /nfs/dbraw/zinc/00/15/22/493001522.db2.gz QOUHUUWDLXXSJE-GUYCJALGSA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009535 493001523 /nfs/dbraw/zinc/00/15/23/493001523.db2.gz QOUHUUWDLXXSJE-GUYCJALGSA-N 2 2 368.428 0.487 20 0 FCADLP O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)C1 ZINC000639295637 493005954 /nfs/dbraw/zinc/00/59/54/493005954.db2.gz QRUFIBVLXMBRDV-LJQANCHMSA-N 2 2 361.486 0.648 20 0 FCADLP O[C@@H]1CC[N@H+](C2CN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)C2)C1 ZINC000639295637 493005958 /nfs/dbraw/zinc/00/59/58/493005958.db2.gz QRUFIBVLXMBRDV-LJQANCHMSA-N 2 2 361.486 0.648 20 0 FCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639445978 493011212 /nfs/dbraw/zinc/01/12/12/493011212.db2.gz LQOFKNNQNYFTCD-NRFANRHFSA-N 2 2 374.529 0.766 20 0 FCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639445978 493011217 /nfs/dbraw/zinc/01/12/17/493011217.db2.gz LQOFKNNQNYFTCD-NRFANRHFSA-N 2 2 374.529 0.766 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646104684 493012721 /nfs/dbraw/zinc/01/27/21/493012721.db2.gz LZRGDPCINODYCP-SFHVURJKSA-N 2 2 374.485 0.387 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646104684 493012723 /nfs/dbraw/zinc/01/27/23/493012723.db2.gz LZRGDPCINODYCP-SFHVURJKSA-N 2 2 374.485 0.387 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000652736605 493012910 /nfs/dbraw/zinc/01/29/10/493012910.db2.gz JPLPIHGRQIXYAO-JFIYKMOQSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000652736605 493012915 /nfs/dbraw/zinc/01/29/15/493012915.db2.gz JPLPIHGRQIXYAO-JFIYKMOQSA-N 2 2 358.486 0.581 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639503324 493014753 /nfs/dbraw/zinc/01/47/53/493014753.db2.gz GDMXWSYFNIEDPB-OAHLLOKOSA-N 2 2 374.551 0.190 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639503324 493014755 /nfs/dbraw/zinc/01/47/55/493014755.db2.gz GDMXWSYFNIEDPB-OAHLLOKOSA-N 2 2 374.551 0.190 20 0 FCADLP CN1C(=O)NC2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000639552180 493020307 /nfs/dbraw/zinc/02/03/07/493020307.db2.gz SRZKJCZHLBOZSL-IBGZPJMESA-N 2 2 372.469 0.640 20 0 FCADLP CN1C(=O)NC2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000639552180 493020309 /nfs/dbraw/zinc/02/03/09/493020309.db2.gz SRZKJCZHLBOZSL-IBGZPJMESA-N 2 2 372.469 0.640 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646364540 493043917 /nfs/dbraw/zinc/04/39/17/493043917.db2.gz SKMDGHITOOZAEX-IBGZPJMESA-N 2 2 358.486 0.639 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858895 493059007 /nfs/dbraw/zinc/05/90/07/493059007.db2.gz ZZNYCYXEGSBVHQ-YOEHRIQHSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858895 493059010 /nfs/dbraw/zinc/05/90/10/493059010.db2.gz ZZNYCYXEGSBVHQ-YOEHRIQHSA-N 2 2 353.488 0.210 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000639866880 493061677 /nfs/dbraw/zinc/06/16/77/493061677.db2.gz BEKCFGRSJIGYFM-LJQANCHMSA-N 2 2 360.502 0.248 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000639866880 493061680 /nfs/dbraw/zinc/06/16/80/493061680.db2.gz BEKCFGRSJIGYFM-LJQANCHMSA-N 2 2 360.502 0.248 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)CCOCC[NH3+])cc1 ZINC000626925210 493065073 /nfs/dbraw/zinc/06/50/73/493065073.db2.gz HLPSTJCYFOFUAN-SFHVURJKSA-N 2 2 364.490 0.985 20 0 FCADLP C[NH2+]CCOCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000626924800 493065181 /nfs/dbraw/zinc/06/51/81/493065181.db2.gz XSUCWPGVMXFWOP-UHFFFAOYSA-N 2 2 350.463 0.554 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCOCC[NH3+])c[nH+]2)CCO1 ZINC000626932297 493066763 /nfs/dbraw/zinc/06/67/63/493066763.db2.gz UZEOUEFQJMANID-CQSZACIVSA-N 2 2 351.451 0.423 20 0 FCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000653075758 493067164 /nfs/dbraw/zinc/06/71/64/493067164.db2.gz ZRJFFOBWUXMWGI-IUODEOHRSA-N 2 2 356.492 0.393 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000653106230 493070691 /nfs/dbraw/zinc/07/06/91/493070691.db2.gz YADCTHWPKDVQNY-INIZCTEOSA-N 2 2 365.453 0.187 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000653107514 493070789 /nfs/dbraw/zinc/07/07/89/493070789.db2.gz MXGZVIKEURJSOR-MRXNPFEDSA-N 2 2 363.462 0.175 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653109514 493072103 /nfs/dbraw/zinc/07/21/03/493072103.db2.gz DHOXNPNVJYJKFH-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653116576 493072686 /nfs/dbraw/zinc/07/26/86/493072686.db2.gz MBXNSILJUYTJQH-IRXDYDNUSA-N 2 2 371.485 0.930 20 0 FCADLP Cc1nnc(N2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n1C ZINC000639973611 493074145 /nfs/dbraw/zinc/07/41/45/493074145.db2.gz DFIYGARRXPUYCR-UHFFFAOYSA-N 2 2 363.510 0.235 20 0 FCADLP O=C([C@H]1CCC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000653151434 493077990 /nfs/dbraw/zinc/07/79/90/493077990.db2.gz GWAGCLGQZFZWKM-INIZCTEOSA-N 2 2 374.489 0.352 20 0 FCADLP O=C([C@H]1CCC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000653151434 493077994 /nfs/dbraw/zinc/07/79/94/493077994.db2.gz GWAGCLGQZFZWKM-INIZCTEOSA-N 2 2 374.489 0.352 20 0 FCADLP COCCOc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653153508 493078075 /nfs/dbraw/zinc/07/80/75/493078075.db2.gz RAGJBGCGXCFGLC-INIZCTEOSA-N 2 2 364.490 0.639 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000653154474 493079353 /nfs/dbraw/zinc/07/93/53/493079353.db2.gz SYLSRLPVGCGSNP-UONOGXRCSA-N 2 2 372.391 0.984 20 0 FCADLP C[C@H](CN1CCOCC1)[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H](C)C[NH+]1CCOCC1 ZINC000640049547 493079519 /nfs/dbraw/zinc/07/95/19/493079519.db2.gz OYEDRFONVMGTAV-RDGPPVDQSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@H](CN1CCOCC1)[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H](C)C[NH+]1CCOCC1 ZINC000640049547 493079522 /nfs/dbraw/zinc/07/95/22/493079522.db2.gz OYEDRFONVMGTAV-RDGPPVDQSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)CN1CCOCC1 ZINC000640049547 493079526 /nfs/dbraw/zinc/07/95/26/493079526.db2.gz OYEDRFONVMGTAV-RDGPPVDQSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)CN1CCOCC1 ZINC000640049547 493079531 /nfs/dbraw/zinc/07/95/31/493079531.db2.gz OYEDRFONVMGTAV-RDGPPVDQSA-N 2 2 352.523 0.186 20 0 FCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCOCCOC)CC2)C1(C)C ZINC000653276186 493087939 /nfs/dbraw/zinc/08/79/39/493087939.db2.gz XKUCHZSVLVQJAN-MAUKXSAKSA-N 2 2 357.495 0.326 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1)[NH+]1CCOCC1 ZINC000633033190 493106595 /nfs/dbraw/zinc/10/65/95/493106595.db2.gz HKNXAIZFCLQNGM-JCGIZDLHSA-N 2 2 372.469 0.981 20 0 FCADLP CCOc1ccccc1[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])NC(C)=O ZINC000646833219 493108464 /nfs/dbraw/zinc/10/84/64/493108464.db2.gz QPONSJASAJRDJC-NVXWUHKLSA-N 2 2 362.474 0.754 20 0 FCADLP CCOc1ccccc1[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])NC(C)=O ZINC000646833219 493108470 /nfs/dbraw/zinc/10/84/70/493108470.db2.gz QPONSJASAJRDJC-NVXWUHKLSA-N 2 2 362.474 0.754 20 0 FCADLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(=O)c1ccc(Br)o1 ZINC000646833724 493108835 /nfs/dbraw/zinc/10/88/35/493108835.db2.gz ICQZLZPCJQERCT-JTQLQIEISA-N 2 2 373.251 0.215 20 0 FCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(=O)c1ccc(Br)o1 ZINC000646833724 493108839 /nfs/dbraw/zinc/10/88/39/493108839.db2.gz ICQZLZPCJQERCT-JTQLQIEISA-N 2 2 373.251 0.215 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653383432 493110145 /nfs/dbraw/zinc/11/01/45/493110145.db2.gz OOGDNTINAFIESL-SJLPKXTDSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653383432 493110148 /nfs/dbraw/zinc/11/01/48/493110148.db2.gz OOGDNTINAFIESL-SJLPKXTDSA-N 2 2 360.502 0.828 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383403 493110916 /nfs/dbraw/zinc/11/09/16/493110916.db2.gz NNQPUVFEKVYHTG-PKOBYXMFSA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383403 493110919 /nfs/dbraw/zinc/11/09/19/493110919.db2.gz NNQPUVFEKVYHTG-PKOBYXMFSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383403 493110921 /nfs/dbraw/zinc/11/09/21/493110921.db2.gz NNQPUVFEKVYHTG-PKOBYXMFSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383403 493110922 /nfs/dbraw/zinc/11/09/22/493110922.db2.gz NNQPUVFEKVYHTG-PKOBYXMFSA-N 2 2 370.497 0.725 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259663 493121768 /nfs/dbraw/zinc/12/17/68/493121768.db2.gz XHBHHQHJWCPJRE-WOJBJXKFSA-N 2 2 372.513 0.715 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259663 493121769 /nfs/dbraw/zinc/12/17/69/493121769.db2.gz XHBHHQHJWCPJRE-WOJBJXKFSA-N 2 2 372.513 0.715 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000640835457 493134412 /nfs/dbraw/zinc/13/44/12/493134412.db2.gz BWVOMJQINHHKPH-AJNGGQMLSA-N 2 2 352.458 0.772 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000646971153 493136702 /nfs/dbraw/zinc/13/67/02/493136702.db2.gz HNFXWRGKGPMPOK-LSDHHAIUSA-N 2 2 350.463 0.941 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000646971153 493136706 /nfs/dbraw/zinc/13/67/06/493136706.db2.gz HNFXWRGKGPMPOK-LSDHHAIUSA-N 2 2 350.463 0.941 20 0 FCADLP CC[NH2+]Cc1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000640874049 493142912 /nfs/dbraw/zinc/14/29/12/493142912.db2.gz CFJZBDAHKPHOLL-UHFFFAOYSA-N 2 2 372.473 0.536 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000627327789 493155745 /nfs/dbraw/zinc/15/57/45/493155745.db2.gz JBCUVSGLORJYKS-UHFFFAOYSA-N 2 2 357.458 0.939 20 0 FCADLP C[NH+]1CCN(C[C@H]2C[N@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551746 493158482 /nfs/dbraw/zinc/15/84/82/493158482.db2.gz WTIFBULJKFJRBT-SFTDATJTSA-N 2 2 374.529 0.840 20 0 FCADLP C[NH+]1CCN(C[C@H]2C[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551746 493158485 /nfs/dbraw/zinc/15/84/85/493158485.db2.gz WTIFBULJKFJRBT-SFTDATJTSA-N 2 2 374.529 0.840 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755033 493176520 /nfs/dbraw/zinc/17/65/20/493176520.db2.gz GWGDPUCCLDQJAK-GFCCVEGCSA-N 2 2 363.455 0.096 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755033 493176523 /nfs/dbraw/zinc/17/65/23/493176523.db2.gz GWGDPUCCLDQJAK-GFCCVEGCSA-N 2 2 363.455 0.096 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755033 493176528 /nfs/dbraw/zinc/17/65/28/493176528.db2.gz GWGDPUCCLDQJAK-GFCCVEGCSA-N 2 2 363.455 0.096 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755033 493176533 /nfs/dbraw/zinc/17/65/33/493176533.db2.gz GWGDPUCCLDQJAK-GFCCVEGCSA-N 2 2 363.455 0.096 20 0 FCADLP C[NH+]1CCN(Cc2cn(Cc3ccc(C[NH+]4CCOCC4)cc3)nn2)CC1 ZINC000641181073 493176879 /nfs/dbraw/zinc/17/68/79/493176879.db2.gz QRYLBQJAKKFDJZ-UHFFFAOYSA-N 2 2 370.501 0.906 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000641209262 493181093 /nfs/dbraw/zinc/18/10/93/493181093.db2.gz WFRDWZYBUGWUPN-STQMWFEESA-N 2 2 358.450 0.465 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCOCC2)c1 ZINC000659292411 493184699 /nfs/dbraw/zinc/18/46/99/493184699.db2.gz PGKZUECIMGLFSE-QGZVFWFLSA-N 2 2 358.446 0.349 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000666455586 493186273 /nfs/dbraw/zinc/18/62/73/493186273.db2.gz YGRZSEHHAHEYQG-IAGOWNOFSA-N 2 2 367.453 0.967 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[C@H](C)[N@H+]1CCO ZINC000653885011 493191874 /nfs/dbraw/zinc/19/18/74/493191874.db2.gz SZCSNRCMBFVELO-BETUJISGSA-N 2 2 360.462 0.561 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[C@H](C)[N@@H+]1CCO ZINC000653885011 493191878 /nfs/dbraw/zinc/19/18/78/493191878.db2.gz SZCSNRCMBFVELO-BETUJISGSA-N 2 2 360.462 0.561 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627385307 493193669 /nfs/dbraw/zinc/19/36/69/493193669.db2.gz HBQMMXWGEGRAMM-GRYCIOLGSA-N 2 2 361.368 0.374 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672531850 493194590 /nfs/dbraw/zinc/19/45/90/493194590.db2.gz WFZILNYDACWXMH-UKRRQHHQSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672531850 493194597 /nfs/dbraw/zinc/19/45/97/493194597.db2.gz WFZILNYDACWXMH-UKRRQHHQSA-N 2 2 354.520 0.235 20 0 FCADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627397887 493202431 /nfs/dbraw/zinc/20/24/31/493202431.db2.gz YRCQIWOEKANVGE-GJZGRUSLSA-N 2 2 364.446 0.027 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000659521619 493204620 /nfs/dbraw/zinc/20/46/20/493204620.db2.gz DGLPRNUKMGIEGV-UMVBOHGHSA-N 2 2 350.467 0.755 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672557376 493205864 /nfs/dbraw/zinc/20/58/64/493205864.db2.gz DSUIQIDCKLQEPW-LPHOPBHVSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672557376 493205870 /nfs/dbraw/zinc/20/58/70/493205870.db2.gz DSUIQIDCKLQEPW-LPHOPBHVSA-N 2 2 366.506 0.299 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609501 493219794 /nfs/dbraw/zinc/21/97/94/493219794.db2.gz AYVHXVOZOYBHDT-FDYSRKEFSA-N 2 2 357.502 0.854 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659609501 493219800 /nfs/dbraw/zinc/21/98/00/493219800.db2.gz AYVHXVOZOYBHDT-FDYSRKEFSA-N 2 2 357.502 0.854 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000672637562 493219924 /nfs/dbraw/zinc/21/99/24/493219924.db2.gz JSTHAOSOALNGCF-RDTXWAMCSA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000672637562 493219928 /nfs/dbraw/zinc/21/99/28/493219928.db2.gz JSTHAOSOALNGCF-RDTXWAMCSA-N 2 2 368.547 0.673 20 0 FCADLP C[C@H]1COC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637692 493220717 /nfs/dbraw/zinc/22/07/17/493220717.db2.gz MNHWXQLNFRJFCB-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1COC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637692 493220721 /nfs/dbraw/zinc/22/07/21/493220721.db2.gz MNHWXQLNFRJFCB-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672637448 493220822 /nfs/dbraw/zinc/22/08/22/493220822.db2.gz HOWJGFXUVZEPNT-PMPSAXMXSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672637448 493220824 /nfs/dbraw/zinc/22/08/24/493220824.db2.gz HOWJGFXUVZEPNT-PMPSAXMXSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000672639423 493221438 /nfs/dbraw/zinc/22/14/38/493221438.db2.gz CFFCWYZYRGPUEF-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000672639423 493221440 /nfs/dbraw/zinc/22/14/40/493221440.db2.gz CFFCWYZYRGPUEF-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP CCCCN(CCCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638101 493221497 /nfs/dbraw/zinc/22/14/97/493221497.db2.gz JTDZEFRRUGXTQT-MRXNPFEDSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCN(CCCO)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638101 493221500 /nfs/dbraw/zinc/22/15/00/493221500.db2.gz JTDZEFRRUGXTQT-MRXNPFEDSA-N 2 2 368.522 0.282 20 0 FCADLP Cc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672639149 493222538 /nfs/dbraw/zinc/22/25/38/493222538.db2.gz ZYPNDJXVIUBBCC-KRWDZBQOSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000672639149 493222542 /nfs/dbraw/zinc/22/25/42/493222542.db2.gz ZYPNDJXVIUBBCC-KRWDZBQOSA-N 2 2 373.501 0.633 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000666758690 493223329 /nfs/dbraw/zinc/22/33/29/493223329.db2.gz ZOOUTKRILFHTMX-DLBZAZTESA-N 2 2 356.511 0.441 20 0 FCADLP CN(CCOCC1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640272 493223793 /nfs/dbraw/zinc/22/37/93/493223793.db2.gz YKVLNILCESUSMX-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CCOCC1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640272 493223796 /nfs/dbraw/zinc/22/37/96/493223796.db2.gz YKVLNILCESUSMX-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640592 493223848 /nfs/dbraw/zinc/22/38/48/493223848.db2.gz YHACNNIKTNNFQE-ARFHVFGLSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640592 493223852 /nfs/dbraw/zinc/22/38/52/493223852.db2.gz YHACNNIKTNNFQE-ARFHVFGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCOC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641501 493226476 /nfs/dbraw/zinc/22/64/76/493226476.db2.gz SEZPRCYFZGTCBB-WBVHZDCISA-N 2 2 368.522 0.448 20 0 FCADLP CCOC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641501 493226477 /nfs/dbraw/zinc/22/64/77/493226477.db2.gz SEZPRCYFZGTCBB-WBVHZDCISA-N 2 2 368.522 0.448 20 0 FCADLP CN(C[C@H]1CCCOC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642757 493227962 /nfs/dbraw/zinc/22/79/62/493227962.db2.gz HIOYUDFTRWIRMG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C[C@H]1CCCOC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642757 493227966 /nfs/dbraw/zinc/22/79/66/493227966.db2.gz HIOYUDFTRWIRMG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000672708143 493237197 /nfs/dbraw/zinc/23/71/97/493237197.db2.gz FIBAICGGQZARAG-IAGOWNOFSA-N 2 2 367.538 0.517 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672708131 493237302 /nfs/dbraw/zinc/23/73/02/493237302.db2.gz DMQYSBGTDSUZCN-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672708131 493237306 /nfs/dbraw/zinc/23/73/06/493237306.db2.gz DMQYSBGTDSUZCN-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672708131 493237310 /nfs/dbraw/zinc/23/73/10/493237310.db2.gz DMQYSBGTDSUZCN-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672708131 493237312 /nfs/dbraw/zinc/23/73/12/493237312.db2.gz DMQYSBGTDSUZCN-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000666978641 493245021 /nfs/dbraw/zinc/24/50/21/493245021.db2.gz AJQJKOAPIDMTOR-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000666978641 493245022 /nfs/dbraw/zinc/24/50/22/493245022.db2.gz AJQJKOAPIDMTOR-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000659679085 493247435 /nfs/dbraw/zinc/24/74/35/493247435.db2.gz RKFVCZFJFIANIO-HIFRSBDPSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000659679085 493247438 /nfs/dbraw/zinc/24/74/38/493247438.db2.gz RKFVCZFJFIANIO-HIFRSBDPSA-N 2 2 364.515 0.808 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672920380 493266003 /nfs/dbraw/zinc/26/60/03/493266003.db2.gz UVUCNKXQDOXQGP-CVEARBPZSA-N 2 2 368.547 0.625 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672920380 493266005 /nfs/dbraw/zinc/26/60/05/493266005.db2.gz UVUCNKXQDOXQGP-CVEARBPZSA-N 2 2 368.547 0.625 20 0 FCADLP CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1CCO ZINC000682064418 493266602 /nfs/dbraw/zinc/26/66/02/493266602.db2.gz DLBHGDXOAAOJJR-UHFFFAOYSA-N 2 2 372.429 0.121 20 0 FCADLP CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1CCO ZINC000682064418 493266605 /nfs/dbraw/zinc/26/66/05/493266605.db2.gz DLBHGDXOAAOJJR-UHFFFAOYSA-N 2 2 372.429 0.121 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000659720415 493271060 /nfs/dbraw/zinc/27/10/60/493271060.db2.gz DIANMLODXLWYCM-UHFFFAOYSA-N 2 2 364.490 0.006 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)C1CCCC1 ZINC000659719289 493271228 /nfs/dbraw/zinc/27/12/28/493271228.db2.gz GNTXHZSOASGVHV-INIZCTEOSA-N 2 2 359.474 0.932 20 0 FCADLP CCn1nccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682227701 493280969 /nfs/dbraw/zinc/28/09/69/493280969.db2.gz ZFUGWTMDYOYMMF-HNNXBMFYSA-N 2 2 362.478 0.468 20 0 FCADLP CCn1nccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682227701 493280972 /nfs/dbraw/zinc/28/09/72/493280972.db2.gz ZFUGWTMDYOYMMF-HNNXBMFYSA-N 2 2 362.478 0.468 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269225 493283881 /nfs/dbraw/zinc/28/38/81/493283881.db2.gz HJDQVOGVROYJTA-AWEZNQCLSA-N 2 2 361.446 0.313 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269225 493283882 /nfs/dbraw/zinc/28/38/82/493283882.db2.gz HJDQVOGVROYJTA-AWEZNQCLSA-N 2 2 361.446 0.313 20 0 FCADLP C[C@@H]1C[NH+](CCN2CC[NH+](CC(=O)N3CCCCC3)CC2)C[C@@H](C)O1 ZINC000659812792 493292187 /nfs/dbraw/zinc/29/21/87/493292187.db2.gz XLVBAEZBDYLYJG-QZTJIDSGSA-N 2 2 352.523 0.726 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673148470 493296010 /nfs/dbraw/zinc/29/60/10/493296010.db2.gz YEHALHFHUZZBJB-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000673148470 493296013 /nfs/dbraw/zinc/29/60/13/493296013.db2.gz YEHALHFHUZZBJB-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673148470 493296016 /nfs/dbraw/zinc/29/60/16/493296016.db2.gz YEHALHFHUZZBJB-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673148470 493296020 /nfs/dbraw/zinc/29/60/20/493296020.db2.gz YEHALHFHUZZBJB-KRWDZBQOSA-N 2 2 362.474 0.374 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166859 493296908 /nfs/dbraw/zinc/29/69/08/493296908.db2.gz XDKWUKVDMPZIAC-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166859 493296910 /nfs/dbraw/zinc/29/69/10/493296910.db2.gz XDKWUKVDMPZIAC-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000667712832 493298083 /nfs/dbraw/zinc/29/80/83/493298083.db2.gz QMFJPGINLKUNAT-KBPBESRZSA-N 2 2 365.437 0.868 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673284725 493312353 /nfs/dbraw/zinc/31/23/53/493312353.db2.gz MQLNNTMKJUILSY-QGZVFWFLSA-N 2 2 362.474 0.326 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673284725 493312356 /nfs/dbraw/zinc/31/23/56/493312356.db2.gz MQLNNTMKJUILSY-QGZVFWFLSA-N 2 2 362.474 0.326 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659995659 493313331 /nfs/dbraw/zinc/31/33/31/493313331.db2.gz GCGHIDDHKQASPT-FGTMMUONSA-N 2 2 352.523 0.724 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659995659 493313333 /nfs/dbraw/zinc/31/33/33/493313333.db2.gz GCGHIDDHKQASPT-FGTMMUONSA-N 2 2 352.523 0.724 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000673290110 493313678 /nfs/dbraw/zinc/31/36/78/493313678.db2.gz ZLHHMHOHKXVIIE-BMGDILEWSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000673290110 493313680 /nfs/dbraw/zinc/31/36/80/493313680.db2.gz ZLHHMHOHKXVIIE-BMGDILEWSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)[C@@H]2C1 ZINC000673290110 493313682 /nfs/dbraw/zinc/31/36/82/493313682.db2.gz ZLHHMHOHKXVIIE-BMGDILEWSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)[C@@H]2C1 ZINC000673290110 493313686 /nfs/dbraw/zinc/31/36/86/493313686.db2.gz ZLHHMHOHKXVIIE-BMGDILEWSA-N 2 2 356.470 0.842 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673336924 493318813 /nfs/dbraw/zinc/31/88/13/493318813.db2.gz NTZHJYDTISZUDA-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673336924 493318816 /nfs/dbraw/zinc/31/88/16/493318816.db2.gz NTZHJYDTISZUDA-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000660073948 493321865 /nfs/dbraw/zinc/32/18/65/493321865.db2.gz IHHBXEQCXFVZNX-QGZVFWFLSA-N 2 2 366.531 0.807 20 0 FCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000660073948 493321868 /nfs/dbraw/zinc/32/18/68/493321868.db2.gz IHHBXEQCXFVZNX-QGZVFWFLSA-N 2 2 366.531 0.807 20 0 FCADLP C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[C@@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000682901232 493325903 /nfs/dbraw/zinc/32/59/03/493325903.db2.gz DMCYIJXKMXYRED-ZIAGYGMSSA-N 2 2 356.430 0.819 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000660652508 493369787 /nfs/dbraw/zinc/36/97/87/493369787.db2.gz JXURZFHJAQDLQJ-LJQANCHMSA-N 2 2 352.523 0.631 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000660652508 493369789 /nfs/dbraw/zinc/36/97/89/493369789.db2.gz JXURZFHJAQDLQJ-LJQANCHMSA-N 2 2 352.523 0.631 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660699323 493373029 /nfs/dbraw/zinc/37/30/29/493373029.db2.gz CWWVDUZVVUWIOS-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nc(C(N)=O)cs3)C2)CC1 ZINC000660711175 493374471 /nfs/dbraw/zinc/37/44/71/493374471.db2.gz CAPVUYZAMATDGO-LLVKDONJSA-N 2 2 366.491 0.210 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nc(C(N)=O)cs3)C2)CC1 ZINC000660711175 493374473 /nfs/dbraw/zinc/37/44/73/493374473.db2.gz CAPVUYZAMATDGO-LLVKDONJSA-N 2 2 366.491 0.210 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)S(C)(=O)=O)CC2)CC1 ZINC000674028217 493382343 /nfs/dbraw/zinc/38/23/43/493382343.db2.gz AMDKYAFWPIQFAB-UHFFFAOYSA-N 2 2 374.551 0.667 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610770 493384041 /nfs/dbraw/zinc/38/40/41/493384041.db2.gz GVZSWMOPHFJWBC-RYQLBKOJSA-N 2 2 362.474 0.645 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610770 493384045 /nfs/dbraw/zinc/38/40/45/493384045.db2.gz GVZSWMOPHFJWBC-RYQLBKOJSA-N 2 2 362.474 0.645 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCC(=O)N2)([NH+]2CCCCC2)CC1 ZINC000683985997 493384588 /nfs/dbraw/zinc/38/45/88/493384588.db2.gz XOVSDLHFIBHPKY-MRXNPFEDSA-N 2 2 365.522 0.905 20 0 FCADLP Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668640168 493388490 /nfs/dbraw/zinc/38/84/90/493388490.db2.gz PFIGXRQOHNUTJE-LBPRGKRZSA-N 2 2 370.475 0.134 20 0 FCADLP Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668640168 493388492 /nfs/dbraw/zinc/38/84/92/493388492.db2.gz PFIGXRQOHNUTJE-LBPRGKRZSA-N 2 2 370.475 0.134 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]34)C2)CC1 ZINC000668639686 493388776 /nfs/dbraw/zinc/38/87/76/493388776.db2.gz KUFVQIJUFAAVJT-HPBDAGMYSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@H]34)C2)CC1 ZINC000668639686 493388779 /nfs/dbraw/zinc/38/87/79/493388779.db2.gz KUFVQIJUFAAVJT-HPBDAGMYSA-N 2 2 362.518 0.966 20 0 FCADLP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)o1 ZINC000674368394 493411173 /nfs/dbraw/zinc/41/11/73/493411173.db2.gz MZFQXKJHMUMIAW-OAHLLOKOSA-N 2 2 353.463 0.887 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000668811469 493414211 /nfs/dbraw/zinc/41/42/11/493414211.db2.gz AETYEXXSFVFKGB-KRWDZBQOSA-N 2 2 369.469 0.812 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000668811469 493414214 /nfs/dbraw/zinc/41/42/14/493414214.db2.gz AETYEXXSFVFKGB-KRWDZBQOSA-N 2 2 369.469 0.812 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000684484070 493415273 /nfs/dbraw/zinc/41/52/73/493415273.db2.gz PKNWQUNQELPXEF-UHFFFAOYSA-N 2 2 360.462 0.751 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000684484070 493415277 /nfs/dbraw/zinc/41/52/77/493415277.db2.gz PKNWQUNQELPXEF-UHFFFAOYSA-N 2 2 360.462 0.751 20 0 FCADLP CS(=O)(=O)N1CC[NH+](CCNc2cc[nH+]c3c(O)cccc23)CC1 ZINC000684570157 493419634 /nfs/dbraw/zinc/41/96/34/493419634.db2.gz ONNJTRSBKLRQTC-UHFFFAOYSA-N 2 2 350.444 0.930 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000684585228 493421775 /nfs/dbraw/zinc/42/17/75/493421775.db2.gz ZBDJYTBGFJFKMD-DOMZBBRYSA-N 2 2 373.523 0.059 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684585228 493421778 /nfs/dbraw/zinc/42/17/78/493421778.db2.gz ZBDJYTBGFJFKMD-DOMZBBRYSA-N 2 2 373.523 0.059 20 0 FCADLP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668876679 493427213 /nfs/dbraw/zinc/42/72/13/493427213.db2.gz VWFXTNGEBBCAIW-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP CN(C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1c[nH+]cn1C ZINC000684829116 493432379 /nfs/dbraw/zinc/43/23/79/493432379.db2.gz JCNWJGJCYWBENM-QGZVFWFLSA-N 2 2 357.462 0.808 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000668942523 493442103 /nfs/dbraw/zinc/44/21/03/493442103.db2.gz IBMQVYZJLRCJHN-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661507785 493443286 /nfs/dbraw/zinc/44/32/86/493443286.db2.gz LLIJXQZGBIBCEJ-GDBMZVCRSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661507785 493443289 /nfs/dbraw/zinc/44/32/89/493443289.db2.gz LLIJXQZGBIBCEJ-GDBMZVCRSA-N 2 2 365.522 0.854 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661506721 493443557 /nfs/dbraw/zinc/44/35/57/493443557.db2.gz HKGSQVMOYHZKJH-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661506721 493443559 /nfs/dbraw/zinc/44/35/59/493443559.db2.gz HKGSQVMOYHZKJH-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C3(C(N)=O)CCOCC3)CC2)c1 ZINC000661594140 493448815 /nfs/dbraw/zinc/44/88/15/493448815.db2.gz MYYHWXBXZVXEEX-UHFFFAOYSA-N 2 2 374.485 0.263 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596579 493449721 /nfs/dbraw/zinc/44/97/21/493449721.db2.gz DTCODCAPJHFDHJ-NVXWUHKLSA-N 2 2 360.458 0.524 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596579 493449724 /nfs/dbraw/zinc/44/97/24/493449724.db2.gz DTCODCAPJHFDHJ-NVXWUHKLSA-N 2 2 360.458 0.524 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000674992590 493463962 /nfs/dbraw/zinc/46/39/62/493463962.db2.gz FXDWCRZCHKWORY-CQSZACIVSA-N 2 2 359.474 0.323 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000674992590 493463963 /nfs/dbraw/zinc/46/39/63/493463963.db2.gz FXDWCRZCHKWORY-CQSZACIVSA-N 2 2 359.474 0.323 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)Nc1cnc(N[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000685267129 493470828 /nfs/dbraw/zinc/47/08/28/493470828.db2.gz OWKPCSHQYIYQMT-HOTGVXAUSA-N 2 2 364.494 0.742 20 0 FCADLP CCOc1ccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000662252409 493500206 /nfs/dbraw/zinc/50/02/06/493500206.db2.gz LDCWDUMJWXYJKJ-UHFFFAOYSA-N 2 2 362.478 0.161 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264086 493501634 /nfs/dbraw/zinc/50/16/34/493501634.db2.gz PSKJPYQBYFEGRJ-ZWKOTPCHSA-N 3 2 352.523 0.234 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264086 493501637 /nfs/dbraw/zinc/50/16/37/493501637.db2.gz PSKJPYQBYFEGRJ-ZWKOTPCHSA-N 3 2 352.523 0.234 20 0 FCADLP CC(C)(C)n1nnc(CC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)n1 ZINC000662278134 493502452 /nfs/dbraw/zinc/50/24/52/493502452.db2.gz WKYDTUXXDKSYFV-UHFFFAOYSA-N 2 2 359.482 0.545 20 0 FCADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286040 493502580 /nfs/dbraw/zinc/50/25/80/493502580.db2.gz QWJAWVHJQNOMCT-UHFFFAOYSA-N 2 2 355.866 0.881 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)n(-c2ccc(F)cc2)n1 ZINC000662286023 493502767 /nfs/dbraw/zinc/50/27/67/493502767.db2.gz PMEHFDPTTZYWHV-UHFFFAOYSA-N 2 2 361.421 0.962 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1Br)C[C@@H](O)CO ZINC000662289658 493503655 /nfs/dbraw/zinc/50/36/55/493503655.db2.gz UYERQJJHDIDWSS-LLVKDONJSA-N 2 2 360.252 0.392 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@@H](O)CO ZINC000662289658 493503658 /nfs/dbraw/zinc/50/36/58/493503658.db2.gz UYERQJJHDIDWSS-LLVKDONJSA-N 2 2 360.252 0.392 20 0 FCADLP COCc1noc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338597 493508058 /nfs/dbraw/zinc/50/80/58/493508058.db2.gz SZCKIWJLCJOXAM-CYBMUJFWSA-N 2 2 361.450 0.728 20 0 FCADLP COCc1noc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338597 493508061 /nfs/dbraw/zinc/50/80/61/493508061.db2.gz SZCKIWJLCJOXAM-CYBMUJFWSA-N 2 2 361.450 0.728 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336132 493508089 /nfs/dbraw/zinc/50/80/89/493508089.db2.gz VSBVIKOUPYEQQL-CYBMUJFWSA-N 3 2 374.493 0.776 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336132 493508091 /nfs/dbraw/zinc/50/80/91/493508091.db2.gz VSBVIKOUPYEQQL-CYBMUJFWSA-N 3 2 374.493 0.776 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669542750 493510129 /nfs/dbraw/zinc/51/01/29/493510129.db2.gz CJMBIFKWCYQXKT-GJZGRUSLSA-N 2 2 360.462 0.157 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)([NH+]2CCOCC2)C1 ZINC000669571503 493511467 /nfs/dbraw/zinc/51/14/67/493511467.db2.gz VICNQERKXLQKFC-LCMLCXGQSA-N 2 2 354.495 0.825 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662673811 493531068 /nfs/dbraw/zinc/53/10/68/493531068.db2.gz RQKHIYBGLFXVKJ-OAHLLOKOSA-N 2 2 350.467 0.387 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662752652 493537642 /nfs/dbraw/zinc/53/76/42/493537642.db2.gz SONLELQPHLCTSG-OZVIIMIRSA-N 2 2 351.451 0.391 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662752652 493537643 /nfs/dbraw/zinc/53/76/43/493537643.db2.gz SONLELQPHLCTSG-OZVIIMIRSA-N 2 2 351.451 0.391 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc(OC)c1 ZINC000662751587 493537703 /nfs/dbraw/zinc/53/77/03/493537703.db2.gz LPQYGCOTPDIWPV-ROUUACIJSA-N 2 2 363.458 0.712 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662787535 493542133 /nfs/dbraw/zinc/54/21/33/493542133.db2.gz QUWNXSAODQLZAM-INIZCTEOSA-N 2 2 354.401 0.635 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662787535 493542134 /nfs/dbraw/zinc/54/21/34/493542134.db2.gz QUWNXSAODQLZAM-INIZCTEOSA-N 2 2 354.401 0.635 20 0 FCADLP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000662789927 493542400 /nfs/dbraw/zinc/54/24/00/493542400.db2.gz HDRYQYGYVBCNRO-RBSFLKMASA-N 2 2 360.462 0.136 20 0 FCADLP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000662789927 493542402 /nfs/dbraw/zinc/54/24/02/493542402.db2.gz HDRYQYGYVBCNRO-RBSFLKMASA-N 2 2 360.462 0.136 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662922738 493553794 /nfs/dbraw/zinc/55/37/94/493553794.db2.gz TXHFPNCSEUFYBH-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000676478410 493554363 /nfs/dbraw/zinc/55/43/63/493554363.db2.gz NLLQIYSMIQXVKM-CYBMUJFWSA-N 2 2 374.445 0.903 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000676478410 493554365 /nfs/dbraw/zinc/55/43/65/493554365.db2.gz NLLQIYSMIQXVKM-CYBMUJFWSA-N 2 2 374.445 0.903 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662940198 493557375 /nfs/dbraw/zinc/55/73/75/493557375.db2.gz KKVFRNZAXBUXLD-QGZVFWFLSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000662989048 493565146 /nfs/dbraw/zinc/56/51/46/493565146.db2.gz ZAYRACBCKRNKIF-WBVHZDCISA-N 3 2 367.538 0.057 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000662989048 493565149 /nfs/dbraw/zinc/56/51/49/493565149.db2.gz ZAYRACBCKRNKIF-WBVHZDCISA-N 3 2 367.538 0.057 20 0 FCADLP Cc1noc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670428426 493565622 /nfs/dbraw/zinc/56/56/22/493565622.db2.gz WJRPXORPUMQQMK-AWEZNQCLSA-N 2 2 363.462 0.192 20 0 FCADLP Cc1noc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670428426 493565623 /nfs/dbraw/zinc/56/56/23/493565623.db2.gz WJRPXORPUMQQMK-AWEZNQCLSA-N 2 2 363.462 0.192 20 0 FCADLP CCCCOCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670498521 493574648 /nfs/dbraw/zinc/57/46/48/493574648.db2.gz UZMMYBBSWWTSDY-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CCCCOCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670498521 493574652 /nfs/dbraw/zinc/57/46/52/493574652.db2.gz UZMMYBBSWWTSDY-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000670535357 493577458 /nfs/dbraw/zinc/57/74/58/493577458.db2.gz WCHFZDKCHWWOJR-MELADBBJSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000670535357 493577459 /nfs/dbraw/zinc/57/74/59/493577459.db2.gz WCHFZDKCHWWOJR-MELADBBJSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547184 493579757 /nfs/dbraw/zinc/57/97/57/493579757.db2.gz XQAWRCPOISMIGB-WBVHZDCISA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547184 493579759 /nfs/dbraw/zinc/57/97/59/493579759.db2.gz XQAWRCPOISMIGB-WBVHZDCISA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000670547617 493580029 /nfs/dbraw/zinc/58/00/29/493580029.db2.gz PEESCXNXWLUMLY-OAHLLOKOSA-N 2 2 361.490 0.743 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000670547617 493580030 /nfs/dbraw/zinc/58/00/30/493580030.db2.gz PEESCXNXWLUMLY-OAHLLOKOSA-N 2 2 361.490 0.743 20 0 FCADLP COCC[NH+]1CCN(c2cnc(N3CC[NH+](CCOC)CC3)cn2)CC1 ZINC000663362187 493585661 /nfs/dbraw/zinc/58/56/61/493585661.db2.gz CWHGBXTWMIKMBK-UHFFFAOYSA-N 2 2 364.494 0.013 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670708679 493589335 /nfs/dbraw/zinc/58/93/35/493589335.db2.gz ZXEMMOUFJHCKRW-QGZVFWFLSA-N 2 2 366.506 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000670709449 493589446 /nfs/dbraw/zinc/58/94/46/493589446.db2.gz LJVADXQPLJYFIF-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000663521496 493593568 /nfs/dbraw/zinc/59/35/68/493593568.db2.gz BJECQXIMHCYWDK-HRCADAONSA-N 2 2 361.421 0.965 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000670814401 493599621 /nfs/dbraw/zinc/59/96/21/493599621.db2.gz YZXOOMVTDZJQOI-WBVHZDCISA-N 2 2 368.522 0.306 20 0 FCADLP CN(C(=O)C(=O)NCc1ccc(O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670831097 493602635 /nfs/dbraw/zinc/60/26/35/493602635.db2.gz CTVKVEBWYZZXIV-KRWDZBQOSA-N 2 2 374.485 0.635 20 0 FCADLP CN(C(=O)C(=O)NCc1ccc(O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670831097 493602637 /nfs/dbraw/zinc/60/26/37/493602637.db2.gz CTVKVEBWYZZXIV-KRWDZBQOSA-N 2 2 374.485 0.635 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3cscn3)C2)CC1 ZINC000670831544 493603358 /nfs/dbraw/zinc/60/33/58/493603358.db2.gz AKVUCSZYYJROAT-ZDUSSCGKSA-N 2 2 365.503 0.087 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3cscn3)C2)CC1 ZINC000670831544 493603360 /nfs/dbraw/zinc/60/33/60/493603360.db2.gz AKVUCSZYYJROAT-ZDUSSCGKSA-N 2 2 365.503 0.087 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000677579469 493609169 /nfs/dbraw/zinc/60/91/69/493609169.db2.gz RGJUXCYGDOBXLP-ZDUSSCGKSA-N 2 2 352.401 0.985 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663656710 493610452 /nfs/dbraw/zinc/61/04/52/493610452.db2.gz XFOXKWTUXCYLEH-MSOLQXFVSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663656710 493610454 /nfs/dbraw/zinc/61/04/54/493610454.db2.gz XFOXKWTUXCYLEH-MSOLQXFVSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663656710 493610456 /nfs/dbraw/zinc/61/04/56/493610456.db2.gz XFOXKWTUXCYLEH-MSOLQXFVSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663656710 493610458 /nfs/dbraw/zinc/61/04/58/493610458.db2.gz XFOXKWTUXCYLEH-MSOLQXFVSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000663730421 493615643 /nfs/dbraw/zinc/61/56/43/493615643.db2.gz PXVKKGHAGFAKND-FZKCQIBNSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[NH+](C)CCO2)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000663730421 493615646 /nfs/dbraw/zinc/61/56/46/493615646.db2.gz PXVKKGHAGFAKND-FZKCQIBNSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cn1)[C@@H]1C[NH+](C)CCO1 ZINC000663730421 493615648 /nfs/dbraw/zinc/61/56/48/493615648.db2.gz PXVKKGHAGFAKND-FZKCQIBNSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cn1)[C@@H]1C[NH+](C)CCO1 ZINC000663730421 493615650 /nfs/dbraw/zinc/61/56/50/493615650.db2.gz PXVKKGHAGFAKND-FZKCQIBNSA-N 2 2 364.494 0.739 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985300 493620454 /nfs/dbraw/zinc/62/04/54/493620454.db2.gz NXIBGNDPYLWXMC-HNNXBMFYSA-N 2 2 352.479 0.894 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985300 493620456 /nfs/dbraw/zinc/62/04/56/493620456.db2.gz NXIBGNDPYLWXMC-HNNXBMFYSA-N 2 2 352.479 0.894 20 0 FCADLP C[C@@H]1CN(c2nc(N3CCOCC3)cc[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677884652 493621578 /nfs/dbraw/zinc/62/15/78/493621578.db2.gz NYDSYSRUHRXAOW-IAGOWNOFSA-N 2 2 360.506 0.775 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000677902106 493623130 /nfs/dbraw/zinc/62/31/30/493623130.db2.gz VXAJJRABMVYSRM-ZJPYXAASSA-N 2 2 367.538 0.373 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000677902106 493623132 /nfs/dbraw/zinc/62/31/32/493623132.db2.gz VXAJJRABMVYSRM-ZJPYXAASSA-N 2 2 367.538 0.373 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000677902103 493623156 /nfs/dbraw/zinc/62/31/56/493623156.db2.gz VXAJJRABMVYSRM-BDXSIMOUSA-N 2 2 367.538 0.373 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677902103 493623158 /nfs/dbraw/zinc/62/31/58/493623158.db2.gz VXAJJRABMVYSRM-BDXSIMOUSA-N 2 2 367.538 0.373 20 0 FCADLP CCOCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671030847 493624205 /nfs/dbraw/zinc/62/42/05/493624205.db2.gz MOJSLIAHXNKULI-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CCO1 ZINC000663899732 493624243 /nfs/dbraw/zinc/62/42/43/493624243.db2.gz NIJOEVFKUWTNMC-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CCO1 ZINC000663899732 493624246 /nfs/dbraw/zinc/62/42/46/493624246.db2.gz NIJOEVFKUWTNMC-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663969417 493628303 /nfs/dbraw/zinc/62/83/03/493628303.db2.gz BLIRWYDNEVMEOB-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663969417 493628305 /nfs/dbraw/zinc/62/83/05/493628305.db2.gz BLIRWYDNEVMEOB-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664083689 493635142 /nfs/dbraw/zinc/63/51/42/493635142.db2.gz UWPDCEFLANGSTF-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664083689 493635145 /nfs/dbraw/zinc/63/51/45/493635145.db2.gz UWPDCEFLANGSTF-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664083690 493635368 /nfs/dbraw/zinc/63/53/68/493635368.db2.gz UWPDCEFLANGSTF-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664083690 493635370 /nfs/dbraw/zinc/63/53/70/493635370.db2.gz UWPDCEFLANGSTF-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C[NH+]1CCOCC1 ZINC000664190209 493643501 /nfs/dbraw/zinc/64/35/01/493643501.db2.gz GAVXEFMRYJOLHX-GJZGRUSLSA-N 2 2 367.494 0.747 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000678446377 493644672 /nfs/dbraw/zinc/64/46/72/493644672.db2.gz HYDBWVQJYYVPDL-CRAIPNDOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000671172606 493645925 /nfs/dbraw/zinc/64/59/25/493645925.db2.gz XJHUJATZSDHUOK-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671180827 493647122 /nfs/dbraw/zinc/64/71/22/493647122.db2.gz ZLCBCMNNACBCGA-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671180827 493647123 /nfs/dbraw/zinc/64/71/23/493647123.db2.gz ZLCBCMNNACBCGA-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671180825 493647330 /nfs/dbraw/zinc/64/73/30/493647330.db2.gz ZLCBCMNNACBCGA-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671180825 493647333 /nfs/dbraw/zinc/64/73/33/493647333.db2.gz ZLCBCMNNACBCGA-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=c1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc2ccccn12 ZINC000678713368 493657043 /nfs/dbraw/zinc/65/70/43/493657043.db2.gz LHDFXAZWVPKRBX-UHFFFAOYSA-N 2 2 358.442 0.354 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000671375277 493661648 /nfs/dbraw/zinc/66/16/48/493661648.db2.gz NSGFYMQRHVMQRJ-MRXNPFEDSA-N 2 2 363.462 0.274 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H](C)CO1 ZINC000664473004 493661963 /nfs/dbraw/zinc/66/19/63/493661963.db2.gz JHCWUKGQGPBSFG-IDCNUPLLSA-N 2 2 368.522 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H](C)CO1 ZINC000664473004 493661964 /nfs/dbraw/zinc/66/19/64/493661964.db2.gz JHCWUKGQGPBSFG-IDCNUPLLSA-N 2 2 368.522 0.773 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664472983 493661969 /nfs/dbraw/zinc/66/19/69/493661969.db2.gz IZUNCJSNMDNMNE-KZNAEPCWSA-N 2 2 366.506 0.480 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000671376325 493662079 /nfs/dbraw/zinc/66/20/79/493662079.db2.gz HGIRFSMFTMKPLL-MRXNPFEDSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[C@@H]1C[N@H+](C)CCO1 ZINC000664489792 493662870 /nfs/dbraw/zinc/66/28/70/493662870.db2.gz YXSRNUUBUCZJOI-IHRRRGAJSA-N 2 2 353.467 0.498 20 0 FCADLP C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[C@@H]1C[N@@H+](C)CCO1 ZINC000664489792 493662871 /nfs/dbraw/zinc/66/28/71/493662871.db2.gz YXSRNUUBUCZJOI-IHRRRGAJSA-N 2 2 353.467 0.498 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000671394700 493664501 /nfs/dbraw/zinc/66/45/01/493664501.db2.gz QHAMFVIFEAJXJM-UHFFFAOYSA-N 2 2 356.470 0.673 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000671396590 493665385 /nfs/dbraw/zinc/66/53/85/493665385.db2.gz LZNSRBDAGXAJLQ-YJBOKZPZSA-N 2 2 356.470 0.671 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000671396590 493665387 /nfs/dbraw/zinc/66/53/87/493665387.db2.gz LZNSRBDAGXAJLQ-YJBOKZPZSA-N 2 2 356.470 0.671 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000664538475 493666400 /nfs/dbraw/zinc/66/64/00/493666400.db2.gz FABIECRUCFOXPQ-HNNXBMFYSA-N 2 2 367.538 0.959 20 0 FCADLP Cc1occc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000671409736 493668051 /nfs/dbraw/zinc/66/80/51/493668051.db2.gz QDXBECLOJUCZGB-UHFFFAOYSA-N 2 2 350.463 0.689 20 0 FCADLP Cc1occc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000671409736 493668052 /nfs/dbraw/zinc/66/80/52/493668052.db2.gz QDXBECLOJUCZGB-UHFFFAOYSA-N 2 2 350.463 0.689 20 0 FCADLP Cc1occc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671409438 493668225 /nfs/dbraw/zinc/66/82/25/493668225.db2.gz KFSSNPNTASEOIT-KRWDZBQOSA-N 2 2 362.474 0.831 20 0 FCADLP Cc1occc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671409438 493668226 /nfs/dbraw/zinc/66/82/26/493668226.db2.gz KFSSNPNTASEOIT-KRWDZBQOSA-N 2 2 362.474 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCO1 ZINC000664758268 493681838 /nfs/dbraw/zinc/68/18/38/493681838.db2.gz NTPNZPPSBJLQPA-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000679509001 493684325 /nfs/dbraw/zinc/68/43/25/493684325.db2.gz VPGDXROMKXSTNB-UHFFFAOYSA-N 2 2 372.429 0.387 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000679510241 493685236 /nfs/dbraw/zinc/68/52/36/493685236.db2.gz OPHSVRWENUJONX-CYBMUJFWSA-N 2 2 365.397 0.955 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(N2CCCC2)[nH+]1 ZINC000671817291 493707915 /nfs/dbraw/zinc/70/79/15/493707915.db2.gz NIDMAPIPEQTXAU-INIZCTEOSA-N 2 2 371.485 0.959 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(N2CCCC2)[nH+]1 ZINC000671817291 493707917 /nfs/dbraw/zinc/70/79/17/493707917.db2.gz NIDMAPIPEQTXAU-INIZCTEOSA-N 2 2 371.485 0.959 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665553021 493722298 /nfs/dbraw/zinc/72/22/98/493722298.db2.gz MDEDDJPAWHUQSK-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665553021 493722301 /nfs/dbraw/zinc/72/23/01/493722301.db2.gz MDEDDJPAWHUQSK-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672007982 493723773 /nfs/dbraw/zinc/72/37/73/493723773.db2.gz GLTYWTUXGWMZHE-AWEZNQCLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672007982 493723775 /nfs/dbraw/zinc/72/37/75/493723775.db2.gz GLTYWTUXGWMZHE-AWEZNQCLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000672011652 493724447 /nfs/dbraw/zinc/72/44/47/493724447.db2.gz KIGNZIGFWPRPKL-CQSZACIVSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000672011652 493724450 /nfs/dbraw/zinc/72/44/50/493724450.db2.gz KIGNZIGFWPRPKL-CQSZACIVSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000672012388 493724550 /nfs/dbraw/zinc/72/45/50/493724550.db2.gz RNEZTYXATFECEC-INMHGKMJSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672013952 493724858 /nfs/dbraw/zinc/72/48/58/493724858.db2.gz IGTCZOOEBVZORM-UKRRQHHQSA-N 2 2 362.478 0.071 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000672241721 493745770 /nfs/dbraw/zinc/74/57/70/493745770.db2.gz KSBBUXNTLWNFNE-RYUDHWBXSA-N 2 2 373.379 0.614 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000672241721 493745773 /nfs/dbraw/zinc/74/57/73/493745773.db2.gz KSBBUXNTLWNFNE-RYUDHWBXSA-N 2 2 373.379 0.614 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000681189029 493749527 /nfs/dbraw/zinc/74/95/27/493749527.db2.gz ZAZCMJZALVRZOM-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000681189029 493749529 /nfs/dbraw/zinc/74/95/29/493749529.db2.gz ZAZCMJZALVRZOM-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000681189029 493749530 /nfs/dbraw/zinc/74/95/30/493749530.db2.gz ZAZCMJZALVRZOM-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000681189029 493749532 /nfs/dbraw/zinc/74/95/32/493749532.db2.gz ZAZCMJZALVRZOM-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672304409 493751877 /nfs/dbraw/zinc/75/18/77/493751877.db2.gz VZUQMUFOKFSNEL-LJQANCHMSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672304409 493751879 /nfs/dbraw/zinc/75/18/79/493751879.db2.gz VZUQMUFOKFSNEL-LJQANCHMSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000672311962 493754805 /nfs/dbraw/zinc/75/48/05/493754805.db2.gz XBWPRBGCNGXDRU-OIISXLGYSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000672311962 493754806 /nfs/dbraw/zinc/75/48/06/493754806.db2.gz XBWPRBGCNGXDRU-OIISXLGYSA-N 2 2 359.474 0.893 20 0 FCADLP CN1CCN(c2cc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc[nH+]2)CC1=O ZINC000681374949 493758551 /nfs/dbraw/zinc/75/85/51/493758551.db2.gz KSWJKZWHQRHPTN-HNNXBMFYSA-N 2 2 360.462 0.056 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410893452 533850826 /nfs/dbraw/zinc/85/08/26/533850826.db2.gz YVGOQAIPRHVWJN-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410889454 533849589 /nfs/dbraw/zinc/84/95/89/533849589.db2.gz NLMJTMUTISRTOV-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000413070857 534468368 /nfs/dbraw/zinc/46/83/68/534468368.db2.gz IVGUPLNNNAALAR-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000413070857 534468370 /nfs/dbraw/zinc/46/83/70/534468370.db2.gz IVGUPLNNNAALAR-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631463 527802090 /nfs/dbraw/zinc/80/20/90/527802090.db2.gz MXDVVRUZPOAZFS-BBWFWOEESA-N 2 2 368.522 0.354 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631463 527802093 /nfs/dbraw/zinc/80/20/93/527802093.db2.gz MXDVVRUZPOAZFS-BBWFWOEESA-N 2 2 368.522 0.354 20 0 FCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631463 527802097 /nfs/dbraw/zinc/80/20/97/527802097.db2.gz MXDVVRUZPOAZFS-BBWFWOEESA-N 2 2 368.522 0.354 20 0 FCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000410631463 527802101 /nfs/dbraw/zinc/80/21/01/527802101.db2.gz MXDVVRUZPOAZFS-BBWFWOEESA-N 2 2 368.522 0.354 20 0 FCADLP CCCN(CC(C)(C)O)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410499630 527911922 /nfs/dbraw/zinc/91/19/22/527911922.db2.gz OCOXUYRCFBMOMH-UHFFFAOYSA-N 2 2 370.538 0.480 20 0 FCADLP CCCN(CC(C)(C)O)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410499630 527911931 /nfs/dbraw/zinc/91/19/31/527911931.db2.gz OCOXUYRCFBMOMH-UHFFFAOYSA-N 2 2 370.538 0.480 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000410714053 527956946 /nfs/dbraw/zinc/95/69/46/527956946.db2.gz LHSSQELIQXLKLD-QGZVFWFLSA-N 2 2 364.490 0.028 20 0 FCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410766221 528074897 /nfs/dbraw/zinc/07/48/97/528074897.db2.gz IYDLJRCZNDIXEI-KRWDZBQOSA-N 2 2 368.522 0.500 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1C ZINC000410721331 528713445 /nfs/dbraw/zinc/71/34/45/528713445.db2.gz MFUMMZBNGOSJDP-KRWDZBQOSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1C ZINC000410721331 528713453 /nfs/dbraw/zinc/71/34/53/528713453.db2.gz MFUMMZBNGOSJDP-KRWDZBQOSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)CC[N@@H+]1C ZINC000410699328 528716989 /nfs/dbraw/zinc/71/69/89/528716989.db2.gz POWZDFVYVCYXRO-IKGGRYGDSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)CC[N@H+]1C ZINC000410699328 528716992 /nfs/dbraw/zinc/71/69/92/528716992.db2.gz POWZDFVYVCYXRO-IKGGRYGDSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CC[NH+]1C ZINC000410699328 528716994 /nfs/dbraw/zinc/71/69/94/528716994.db2.gz POWZDFVYVCYXRO-IKGGRYGDSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)CC[NH+]1C ZINC000410699328 528716996 /nfs/dbraw/zinc/71/69/96/528716996.db2.gz POWZDFVYVCYXRO-IKGGRYGDSA-N 2 2 350.507 0.870 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000410736799 528731277 /nfs/dbraw/zinc/73/12/77/528731277.db2.gz PLTBECBYEUYPNC-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000410736799 528731283 /nfs/dbraw/zinc/73/12/83/528731283.db2.gz PLTBECBYEUYPNC-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000413085324 529002213 /nfs/dbraw/zinc/00/22/13/529002213.db2.gz PBVYQDFYFYKUEQ-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000413085324 529002217 /nfs/dbraw/zinc/00/22/17/529002217.db2.gz PBVYQDFYFYKUEQ-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000410550066 529116142 /nfs/dbraw/zinc/11/61/42/529116142.db2.gz YAVSALNHXISWSG-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000410550066 529116145 /nfs/dbraw/zinc/11/61/45/529116145.db2.gz YAVSALNHXISWSG-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410953356 529118590 /nfs/dbraw/zinc/11/85/90/529118590.db2.gz LFCNJVDAONTNLV-QLFBSQMISA-N 2 2 362.478 0.166 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410953356 529118594 /nfs/dbraw/zinc/11/85/94/529118594.db2.gz LFCNJVDAONTNLV-QLFBSQMISA-N 2 2 362.478 0.166 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410733259 529118887 /nfs/dbraw/zinc/11/88/87/529118887.db2.gz USXMAUKEOZSRTE-OWCLPIDISA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410733259 529118888 /nfs/dbraw/zinc/11/88/88/529118888.db2.gz USXMAUKEOZSRTE-OWCLPIDISA-N 2 2 374.489 0.310 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000410607188 529350941 /nfs/dbraw/zinc/35/09/41/529350941.db2.gz LJWITLDPSLRELK-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000410515778 529353056 /nfs/dbraw/zinc/35/30/56/529353056.db2.gz CFWGVFBJPHEMEY-ZACQAIPSSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@H+]1C[C@@H](C)O ZINC000410515778 529353058 /nfs/dbraw/zinc/35/30/58/529353058.db2.gz CFWGVFBJPHEMEY-ZACQAIPSSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC[NH+]1C[C@@H](C)O ZINC000410515778 529353060 /nfs/dbraw/zinc/35/30/60/529353060.db2.gz CFWGVFBJPHEMEY-ZACQAIPSSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC[NH+]1C[C@@H](C)O ZINC000410515778 529353061 /nfs/dbraw/zinc/35/30/61/529353061.db2.gz CFWGVFBJPHEMEY-ZACQAIPSSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440190609 535072407 /nfs/dbraw/zinc/07/24/07/535072407.db2.gz SOGSCPSNNGJLCL-QZTJIDSGSA-N 2 2 370.538 0.831 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440190609 535072411 /nfs/dbraw/zinc/07/24/11/535072411.db2.gz SOGSCPSNNGJLCL-QZTJIDSGSA-N 2 2 370.538 0.831 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423701906 535186401 /nfs/dbraw/zinc/18/64/01/535186401.db2.gz WXRNHODHDDOKED-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000423701906 535186403 /nfs/dbraw/zinc/18/64/03/535186403.db2.gz WXRNHODHDDOKED-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424147793 535331646 /nfs/dbraw/zinc/33/16/46/535331646.db2.gz SGIUBRYISLNAHD-OAHLLOKOSA-N 2 2 350.467 0.385 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000423684364 535919713 /nfs/dbraw/zinc/91/97/13/535919713.db2.gz RKOMNQGVFAFGRY-LBPRGKRZSA-N 2 2 363.430 0.734 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000419208797 536368393 /nfs/dbraw/zinc/36/83/93/536368393.db2.gz RWCVKUMODMMVFK-MRXNPFEDSA-N 2 2 359.474 0.754 20 0 FCADLP CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830864 546534674 /nfs/dbraw/zinc/53/46/74/546534674.db2.gz PWUYPEHMKPQGNM-GOEBONIOSA-N 2 2 357.520 0.438 20 0 FCADLP CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830864 546534678 /nfs/dbraw/zinc/53/46/78/546534678.db2.gz PWUYPEHMKPQGNM-GOEBONIOSA-N 2 2 357.520 0.438 20 0 FCADLP CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831200 546534863 /nfs/dbraw/zinc/53/48/63/546534863.db2.gz SNNATFNEWGPOFO-WMZOPIPTSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831200 546534866 /nfs/dbraw/zinc/53/48/66/546534866.db2.gz SNNATFNEWGPOFO-WMZOPIPTSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C(=O)CCCNC(=O)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830496 546535176 /nfs/dbraw/zinc/53/51/76/546535176.db2.gz NLWYMKPSJNHKTG-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)CCCNC(=O)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830496 546535182 /nfs/dbraw/zinc/53/51/82/546535182.db2.gz NLWYMKPSJNHKTG-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000131658885 546570639 /nfs/dbraw/zinc/57/06/39/546570639.db2.gz OWOAWDFHKNSIRK-CVEARBPZSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000131658885 546570645 /nfs/dbraw/zinc/57/06/45/546570645.db2.gz OWOAWDFHKNSIRK-CVEARBPZSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184163 546618956 /nfs/dbraw/zinc/61/89/56/546618956.db2.gz FCQSDCSRWQENEK-NSHDSACASA-N 2 2 366.384 0.560 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184163 546618960 /nfs/dbraw/zinc/61/89/60/546618960.db2.gz FCQSDCSRWQENEK-NSHDSACASA-N 2 2 366.384 0.560 20 0 FCADLP CSCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nnc2ccccn21 ZINC000593906160 546766486 /nfs/dbraw/zinc/76/64/86/546766486.db2.gz RUOLKXVLZUGFCR-STQMWFEESA-N 2 2 350.492 0.919 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000152573137 546919887 /nfs/dbraw/zinc/91/98/87/546919887.db2.gz CZNWBSBOSMFXQQ-NVXWUHKLSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000152573137 546919892 /nfs/dbraw/zinc/91/98/92/546919892.db2.gz CZNWBSBOSMFXQQ-NVXWUHKLSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152573137 546919896 /nfs/dbraw/zinc/91/98/96/546919896.db2.gz CZNWBSBOSMFXQQ-NVXWUHKLSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152573137 546919901 /nfs/dbraw/zinc/91/99/01/546919901.db2.gz CZNWBSBOSMFXQQ-NVXWUHKLSA-N 3 2 355.527 0.373 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000549995609 547076098 /nfs/dbraw/zinc/07/60/98/547076098.db2.gz XWXLBATXWMCJIL-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000549978626 547076369 /nfs/dbraw/zinc/07/63/69/547076369.db2.gz RTQBLVSKQIYIDL-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000549978626 547076373 /nfs/dbraw/zinc/07/63/73/547076373.db2.gz RTQBLVSKQIYIDL-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000549991662 547076690 /nfs/dbraw/zinc/07/66/90/547076690.db2.gz RMPFNTXYPXLHFS-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000549991662 547076696 /nfs/dbraw/zinc/07/66/96/547076696.db2.gz RMPFNTXYPXLHFS-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCS3)CC2)CC1 ZINC000552520995 547214175 /nfs/dbraw/zinc/21/41/75/547214175.db2.gz PMNCYRURFVQIQX-INIZCTEOSA-N 2 2 368.547 0.673 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747361 547229284 /nfs/dbraw/zinc/22/92/84/547229284.db2.gz FMIOQDLCRPLMTK-OAGGEKHMSA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747361 547229288 /nfs/dbraw/zinc/22/92/88/547229288.db2.gz FMIOQDLCRPLMTK-OAGGEKHMSA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747361 547229289 /nfs/dbraw/zinc/22/92/89/547229289.db2.gz FMIOQDLCRPLMTK-OAGGEKHMSA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552747361 547229292 /nfs/dbraw/zinc/22/92/92/547229292.db2.gz FMIOQDLCRPLMTK-OAGGEKHMSA-N 2 2 356.511 0.401 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000553619734 547294515 /nfs/dbraw/zinc/29/45/15/547294515.db2.gz ZZOJAFPSOYDDSO-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395299 674403709 /nfs/dbraw/zinc/40/37/09/674403709.db2.gz QJMIBLNHYNTSIM-HZPDHXFCSA-N 2 2 355.479 0.045 20 0 FCADLP COCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395299 674403711 /nfs/dbraw/zinc/40/37/11/674403711.db2.gz QJMIBLNHYNTSIM-HZPDHXFCSA-N 2 2 355.479 0.045 20 0 FCADLP COCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395299 674403712 /nfs/dbraw/zinc/40/37/12/674403712.db2.gz QJMIBLNHYNTSIM-HZPDHXFCSA-N 2 2 355.479 0.045 20 0 FCADLP COCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395299 674403714 /nfs/dbraw/zinc/40/37/14/674403714.db2.gz QJMIBLNHYNTSIM-HZPDHXFCSA-N 2 2 355.479 0.045 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH+](CCC2CC2)CC1 ZINC000949416794 674404142 /nfs/dbraw/zinc/40/41/42/674404142.db2.gz FXUCOSQEHOAIBN-MSOLQXFVSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)CC1 ZINC000736851907 599027054 /nfs/dbraw/zinc/02/70/54/599027054.db2.gz MJEUZNHRNKAWOP-UHFFFAOYSA-N 2 2 370.461 0.550 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859750 598717434 /nfs/dbraw/zinc/71/74/34/598717434.db2.gz ISUDZZSGSSFSFS-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859750 598717436 /nfs/dbraw/zinc/71/74/36/598717436.db2.gz ISUDZZSGSSFSFS-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000736198187 599316154 /nfs/dbraw/zinc/31/61/54/599316154.db2.gz HLRAEMXYLSHBSR-CRAIPNDOSA-N 2 2 371.489 0.876 20 0 FCADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000736198187 599316157 /nfs/dbraw/zinc/31/61/57/599316157.db2.gz HLRAEMXYLSHBSR-CRAIPNDOSA-N 2 2 371.489 0.876 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000823742297 599563687 /nfs/dbraw/zinc/56/36/87/599563687.db2.gz CJSCXTSNSGQYFK-UHFFFAOYSA-N 2 2 371.489 0.707 20 0 FCADLP Cn1cc(-c2nn[nH]n2)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000821621729 606284579 /nfs/dbraw/zinc/28/45/79/606284579.db2.gz DKQZLXAZJFCTRT-UHFFFAOYSA-N 2 2 372.477 0.494 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821622292 606288719 /nfs/dbraw/zinc/28/87/19/606288719.db2.gz YLRCTTMNAVVUHB-UHFFFAOYSA-N 2 2 360.466 0.303 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000821622292 606288722 /nfs/dbraw/zinc/28/87/22/606288722.db2.gz YLRCTTMNAVVUHB-UHFFFAOYSA-N 2 2 360.466 0.303 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623753 607074147 /nfs/dbraw/zinc/07/41/47/607074147.db2.gz RRVMARGCFQSGQI-MRXNPFEDSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623753 607074150 /nfs/dbraw/zinc/07/41/50/607074150.db2.gz RRVMARGCFQSGQI-MRXNPFEDSA-N 2 2 355.446 0.605 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)CC1 ZINC000826021679 609205823 /nfs/dbraw/zinc/20/58/23/609205823.db2.gz CRKATQBXYZEIJE-UHFFFAOYSA-N 2 2 358.450 0.483 20 0 FCADLP C[C@H](NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@H](C)[NH+]1CCOCC1 ZINC000891515298 663411037 /nfs/dbraw/zinc/41/10/37/663411037.db2.gz AKJKMQPZGPRIQC-ZDEQEGDKSA-N 2 2 352.401 0.874 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559640 663415461 /nfs/dbraw/zinc/41/54/61/663415461.db2.gz GSYOXMXGXLXXMB-ZIAGYGMSSA-N 3 2 359.465 0.699 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559640 663415463 /nfs/dbraw/zinc/41/54/63/663415463.db2.gz GSYOXMXGXLXXMB-ZIAGYGMSSA-N 3 2 359.465 0.699 20 0 FCADLP CCc1nocc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781925 663428428 /nfs/dbraw/zinc/42/84/28/663428428.db2.gz OKCXPEVFAIFNIS-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781925 663428429 /nfs/dbraw/zinc/42/84/29/663428429.db2.gz OKCXPEVFAIFNIS-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781925 663428430 /nfs/dbraw/zinc/42/84/30/663428430.db2.gz OKCXPEVFAIFNIS-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781925 663428432 /nfs/dbraw/zinc/42/84/32/663428432.db2.gz OKCXPEVFAIFNIS-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782349 663428525 /nfs/dbraw/zinc/42/85/25/663428525.db2.gz UHWGWQCFFMZQOY-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782349 663428527 /nfs/dbraw/zinc/42/85/27/663428527.db2.gz UHWGWQCFFMZQOY-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782349 663428528 /nfs/dbraw/zinc/42/85/28/663428528.db2.gz UHWGWQCFFMZQOY-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cncc(F)c3)C2)O1 ZINC000971782349 663428529 /nfs/dbraw/zinc/42/85/29/663428529.db2.gz UHWGWQCFFMZQOY-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275744 663428789 /nfs/dbraw/zinc/42/87/89/663428789.db2.gz RLJLFCBIOSWJLQ-XHJNMGKDSA-N 2 2 351.451 0.649 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275744 663428790 /nfs/dbraw/zinc/42/87/90/663428790.db2.gz RLJLFCBIOSWJLQ-XHJNMGKDSA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934548657 663514651 /nfs/dbraw/zinc/51/46/51/663514651.db2.gz QUKDVUJMGBUBPD-KURKYZTESA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934548657 663514655 /nfs/dbraw/zinc/51/46/55/663514655.db2.gz QUKDVUJMGBUBPD-KURKYZTESA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431402 663533060 /nfs/dbraw/zinc/53/30/60/663533060.db2.gz QFYUXACNUUSRPV-ZHALLVOQSA-N 2 2 351.491 0.975 20 0 FCADLP CC(C)=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431402 663533062 /nfs/dbraw/zinc/53/30/62/663533062.db2.gz QFYUXACNUUSRPV-ZHALLVOQSA-N 2 2 351.491 0.975 20 0 FCADLP CC(C)=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431402 663533066 /nfs/dbraw/zinc/53/30/66/663533066.db2.gz QFYUXACNUUSRPV-ZHALLVOQSA-N 2 2 351.491 0.975 20 0 FCADLP CC(C)=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431402 663533069 /nfs/dbraw/zinc/53/30/69/663533069.db2.gz QFYUXACNUUSRPV-ZHALLVOQSA-N 2 2 351.491 0.975 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3csnn3)C2)O1 ZINC001024039329 663868275 /nfs/dbraw/zinc/86/82/75/663868275.db2.gz UMYICHNHRLLXPS-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3csnn3)C2)O1 ZINC001024039329 663868279 /nfs/dbraw/zinc/86/82/79/663868279.db2.gz UMYICHNHRLLXPS-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP CC(=O)OC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892594651 664045507 /nfs/dbraw/zinc/04/55/07/664045507.db2.gz NQNFEJXFEGCURW-AWEZNQCLSA-N 2 2 370.475 0.075 20 0 FCADLP CS(=O)(=O)C1CC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892751311 664136366 /nfs/dbraw/zinc/13/63/66/664136366.db2.gz RYNHFGPPLSTKTO-UHFFFAOYSA-N 2 2 366.487 0.286 20 0 FCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000892884475 664153694 /nfs/dbraw/zinc/15/36/94/664153694.db2.gz DBNYYJVSQJQNPH-ZDUSSCGKSA-N 2 2 365.503 0.877 20 0 FCADLP COc1nn(C)cc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893023915 664200278 /nfs/dbraw/zinc/20/02/78/664200278.db2.gz RVSNDVKUUWIDAL-CQSZACIVSA-N 2 2 350.467 0.396 20 0 FCADLP COc1nn(C)cc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893023915 664200282 /nfs/dbraw/zinc/20/02/82/664200282.db2.gz RVSNDVKUUWIDAL-CQSZACIVSA-N 2 2 350.467 0.396 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978359500 664435837 /nfs/dbraw/zinc/43/58/37/664435837.db2.gz TWHFBBKFBCOPGP-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978359500 664435841 /nfs/dbraw/zinc/43/58/41/664435841.db2.gz TWHFBBKFBCOPGP-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978359500 664435844 /nfs/dbraw/zinc/43/58/44/664435844.db2.gz TWHFBBKFBCOPGP-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978359500 664435848 /nfs/dbraw/zinc/43/58/48/664435848.db2.gz TWHFBBKFBCOPGP-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000978513289 664440067 /nfs/dbraw/zinc/44/00/67/664440067.db2.gz WTGBPKVFBFBGLF-MTSZKFMLSA-N 2 2 355.454 0.130 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000978513289 664440069 /nfs/dbraw/zinc/44/00/69/664440069.db2.gz WTGBPKVFBFBGLF-MTSZKFMLSA-N 2 2 355.454 0.130 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC001027966770 664479637 /nfs/dbraw/zinc/47/96/37/664479637.db2.gz UUBVBYJUOBMIRD-VNHYZAJKSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC001027966770 664479639 /nfs/dbraw/zinc/47/96/39/664479639.db2.gz UUBVBYJUOBMIRD-VNHYZAJKSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)sn1 ZINC001027966770 664479641 /nfs/dbraw/zinc/47/96/41/664479641.db2.gz UUBVBYJUOBMIRD-VNHYZAJKSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)sn1 ZINC001027966770 664479643 /nfs/dbraw/zinc/47/96/43/664479643.db2.gz UUBVBYJUOBMIRD-VNHYZAJKSA-N 2 2 368.503 0.951 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000245452684 664886525 /nfs/dbraw/zinc/88/65/25/664886525.db2.gz QPMGBSQDQWRVGL-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000245452684 664886528 /nfs/dbraw/zinc/88/65/28/664886528.db2.gz QPMGBSQDQWRVGL-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000245452684 664886529 /nfs/dbraw/zinc/88/65/29/664886529.db2.gz QPMGBSQDQWRVGL-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000245452684 664886532 /nfs/dbraw/zinc/88/65/32/664886532.db2.gz QPMGBSQDQWRVGL-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028549949 664901816 /nfs/dbraw/zinc/90/18/16/664901816.db2.gz CPCKULCHLVMVLD-HZSPNIEDSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028549949 664901817 /nfs/dbraw/zinc/90/18/17/664901817.db2.gz CPCKULCHLVMVLD-HZSPNIEDSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001028549949 664901819 /nfs/dbraw/zinc/90/18/19/664901819.db2.gz CPCKULCHLVMVLD-HZSPNIEDSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001028549949 664901821 /nfs/dbraw/zinc/90/18/21/664901821.db2.gz CPCKULCHLVMVLD-HZSPNIEDSA-N 2 2 351.451 0.494 20 0 FCADLP COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC000960531915 674679071 /nfs/dbraw/zinc/67/90/71/674679071.db2.gz XYWDLNNTTWAOSC-WPEGABGTSA-N 2 2 366.487 0.417 20 0 FCADLP COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)sn1 ZINC000960531915 674679072 /nfs/dbraw/zinc/67/90/72/674679072.db2.gz XYWDLNNTTWAOSC-WPEGABGTSA-N 2 2 366.487 0.417 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)sn1 ZINC000960531915 674679074 /nfs/dbraw/zinc/67/90/74/674679074.db2.gz XYWDLNNTTWAOSC-WPEGABGTSA-N 2 2 366.487 0.417 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)sn1 ZINC000960531915 674679076 /nfs/dbraw/zinc/67/90/76/674679076.db2.gz XYWDLNNTTWAOSC-WPEGABGTSA-N 2 2 366.487 0.417 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000895688779 665055321 /nfs/dbraw/zinc/05/53/21/665055321.db2.gz ZDADLNJSWKTYLT-MRXNPFEDSA-N 2 2 350.463 0.688 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001029767412 665171500 /nfs/dbraw/zinc/17/15/00/665171500.db2.gz RKMBXHHNIUBMKK-VNHYZAJKSA-N 2 2 353.492 0.538 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001029767412 665171502 /nfs/dbraw/zinc/17/15/02/665171502.db2.gz RKMBXHHNIUBMKK-VNHYZAJKSA-N 2 2 353.492 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnns3)C2)O1 ZINC001029767412 665171503 /nfs/dbraw/zinc/17/15/03/665171503.db2.gz RKMBXHHNIUBMKK-VNHYZAJKSA-N 2 2 353.492 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnns3)C2)O1 ZINC001029767412 665171506 /nfs/dbraw/zinc/17/15/06/665171506.db2.gz RKMBXHHNIUBMKK-VNHYZAJKSA-N 2 2 353.492 0.538 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCS(C)(=O)=O ZINC000729159454 665235868 /nfs/dbraw/zinc/23/58/68/665235868.db2.gz QRDODNIKDGYOLZ-AWEZNQCLSA-N 2 2 364.581 0.253 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCS(C)(=O)=O ZINC000729159454 665235870 /nfs/dbraw/zinc/23/58/70/665235870.db2.gz QRDODNIKDGYOLZ-AWEZNQCLSA-N 2 2 364.581 0.253 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929101758 665346010 /nfs/dbraw/zinc/34/60/10/665346010.db2.gz GAOKNMYKFVAIJG-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929101758 665346015 /nfs/dbraw/zinc/34/60/15/665346015.db2.gz GAOKNMYKFVAIJG-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418944717 674706557 /nfs/dbraw/zinc/70/65/57/674706557.db2.gz OOIZMMJVFCFOHS-SFHVURJKSA-N 2 2 362.499 0.577 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000418944717 674706560 /nfs/dbraw/zinc/70/65/60/674706560.db2.gz OOIZMMJVFCFOHS-SFHVURJKSA-N 2 2 362.499 0.577 20 0 FCADLP CC1(C)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@@H+]1CCO ZINC000907594139 666145858 /nfs/dbraw/zinc/14/58/58/666145858.db2.gz PYSXLXYCDSHSGG-UHFFFAOYSA-N 2 2 353.507 0.793 20 0 FCADLP CC1(C)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[N@H+]1CCO ZINC000907594139 666145861 /nfs/dbraw/zinc/14/58/61/666145861.db2.gz PYSXLXYCDSHSGG-UHFFFAOYSA-N 2 2 353.507 0.793 20 0 FCADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841159 666368714 /nfs/dbraw/zinc/36/87/14/666368714.db2.gz ILUHQQQWOVGVKF-UGSOOPFHSA-N 2 2 350.438 0.755 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911730414 666372608 /nfs/dbraw/zinc/37/26/08/666372608.db2.gz NVRKOBOZDOVUJT-OAGGEKHMSA-N 2 2 354.495 0.189 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911730414 666372611 /nfs/dbraw/zinc/37/26/11/666372611.db2.gz NVRKOBOZDOVUJT-OAGGEKHMSA-N 2 2 354.495 0.189 20 0 FCADLP CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961314357 674753863 /nfs/dbraw/zinc/75/38/63/674753863.db2.gz PXRBCDXWQRLUEU-ZBRFXRBCSA-N 2 2 351.491 0.713 20 0 FCADLP CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961314357 674753865 /nfs/dbraw/zinc/75/38/65/674753865.db2.gz PXRBCDXWQRLUEU-ZBRFXRBCSA-N 2 2 351.491 0.713 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000915122916 666821625 /nfs/dbraw/zinc/82/16/25/666821625.db2.gz KTEQBASWXZHEBE-UHFFFAOYSA-N 2 2 357.568 0.199 20 0 FCADLP CCOCCOCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915500552 666872958 /nfs/dbraw/zinc/87/29/58/666872958.db2.gz OOMTZWXCWBAOKE-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734268095 666959757 /nfs/dbraw/zinc/95/97/57/666959757.db2.gz HXPLTFZQNGDVPQ-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1cccc[n+]1[O-] ZINC000733163674 667012481 /nfs/dbraw/zinc/01/24/81/667012481.db2.gz GIZKFOYMICPNKK-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1cccc[n+]1[O-] ZINC000733163674 667012485 /nfs/dbraw/zinc/01/24/85/667012485.db2.gz GIZKFOYMICPNKK-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001032411373 667116910 /nfs/dbraw/zinc/11/69/10/667116910.db2.gz MLODXXITBOMOAK-BSWAZPDLSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001032411373 667116915 /nfs/dbraw/zinc/11/69/15/667116915.db2.gz MLODXXITBOMOAK-BSWAZPDLSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001032411373 667116918 /nfs/dbraw/zinc/11/69/18/667116918.db2.gz MLODXXITBOMOAK-BSWAZPDLSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001032411373 667116923 /nfs/dbraw/zinc/11/69/23/667116923.db2.gz MLODXXITBOMOAK-BSWAZPDLSA-N 2 2 369.531 0.437 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](C4OCCO4)C3)C2)CC1 ZINC000918906299 667140494 /nfs/dbraw/zinc/14/04/94/667140494.db2.gz MLNOSDXFQSEQEO-GJZGRUSLSA-N 2 2 352.479 0.559 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](C4OCCO4)C3)C2)CC1 ZINC000918906299 667140498 /nfs/dbraw/zinc/14/04/98/667140498.db2.gz MLNOSDXFQSEQEO-GJZGRUSLSA-N 2 2 352.479 0.559 20 0 FCADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918914474 667140983 /nfs/dbraw/zinc/14/09/83/667140983.db2.gz TTZMHXUAGBAUEB-LJISPDSOSA-N 2 2 351.495 0.462 20 0 FCADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918914474 667140984 /nfs/dbraw/zinc/14/09/84/667140984.db2.gz TTZMHXUAGBAUEB-LJISPDSOSA-N 2 2 351.495 0.462 20 0 FCADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001032533161 667171301 /nfs/dbraw/zinc/17/13/01/667171301.db2.gz UXIFONDVVVQBHO-FJIDUMEYSA-N 2 2 351.491 0.951 20 0 FCADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001032533161 667171303 /nfs/dbraw/zinc/17/13/03/667171303.db2.gz UXIFONDVVVQBHO-FJIDUMEYSA-N 2 2 351.491 0.951 20 0 FCADLP COc1nscc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999493953 667241572 /nfs/dbraw/zinc/24/15/72/667241572.db2.gz GLTHTTKPRFBDCB-VHDGCEQUSA-N 2 2 368.503 0.951 20 0 FCADLP COc1nscc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999493953 667241574 /nfs/dbraw/zinc/24/15/74/667241574.db2.gz GLTHTTKPRFBDCB-VHDGCEQUSA-N 2 2 368.503 0.951 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001034971821 667772357 /nfs/dbraw/zinc/77/23/57/667772357.db2.gz VTSNSRCGYHXFAT-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001034971821 667772360 /nfs/dbraw/zinc/77/23/60/667772360.db2.gz VTSNSRCGYHXFAT-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378141 667828917 /nfs/dbraw/zinc/82/89/17/667828917.db2.gz RFSOOKFDIWXHFY-UONOGXRCSA-N 2 2 351.476 0.872 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378141 667828921 /nfs/dbraw/zinc/82/89/21/667828921.db2.gz RFSOOKFDIWXHFY-UONOGXRCSA-N 2 2 351.476 0.872 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000961988258 674852854 /nfs/dbraw/zinc/85/28/54/674852854.db2.gz FCNAWNOUNGEUEF-NEQJSVFRSA-N 2 2 369.897 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000961988258 674852855 /nfs/dbraw/zinc/85/28/55/674852855.db2.gz FCNAWNOUNGEUEF-NEQJSVFRSA-N 2 2 369.897 0.777 20 0 FCADLP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923489004 667840965 /nfs/dbraw/zinc/84/09/65/667840965.db2.gz MYDGBJPUHQKXNN-HOCLYGCPSA-N 2 2 357.520 0.615 20 0 FCADLP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923489004 667840968 /nfs/dbraw/zinc/84/09/68/667840968.db2.gz MYDGBJPUHQKXNN-HOCLYGCPSA-N 2 2 357.520 0.615 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303859 667886178 /nfs/dbraw/zinc/88/61/78/667886178.db2.gz NTHGLKCVAZIINC-HZPDHXFCSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303859 667886181 /nfs/dbraw/zinc/88/61/81/667886181.db2.gz NTHGLKCVAZIINC-HZPDHXFCSA-N 2 2 350.463 0.502 20 0 FCADLP O=C(NC1CC(C[NH2+]CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000962119209 674864354 /nfs/dbraw/zinc/86/43/54/674864354.db2.gz YNEQUSXGXYGMIV-HIEASXQVSA-N 2 2 351.491 0.761 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000765699792 668012553 /nfs/dbraw/zinc/01/25/53/668012553.db2.gz YMKSPRRRROQDIS-CABCVRRESA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000765699792 668012555 /nfs/dbraw/zinc/01/25/55/668012555.db2.gz YMKSPRRRROQDIS-CABCVRRESA-N 2 2 374.551 0.620 20 0 FCADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982317 668402497 /nfs/dbraw/zinc/40/24/97/668402497.db2.gz KLVFPSCGNHJMPO-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982317 668402498 /nfs/dbraw/zinc/40/24/98/668402498.db2.gz KLVFPSCGNHJMPO-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000780208293 668463693 /nfs/dbraw/zinc/46/36/93/668463693.db2.gz NAQWQYPZALGCBX-HNNXBMFYSA-N 2 2 358.552 0.360 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000780208293 668463696 /nfs/dbraw/zinc/46/36/96/668463696.db2.gz NAQWQYPZALGCBX-HNNXBMFYSA-N 2 2 358.552 0.360 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136192 668789002 /nfs/dbraw/zinc/78/90/02/668789002.db2.gz ATYIBEAMRHYTLP-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136192 668789003 /nfs/dbraw/zinc/78/90/03/668789003.db2.gz ATYIBEAMRHYTLP-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136192 668789004 /nfs/dbraw/zinc/78/90/04/668789004.db2.gz ATYIBEAMRHYTLP-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136192 668789005 /nfs/dbraw/zinc/78/90/05/668789005.db2.gz ATYIBEAMRHYTLP-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP CCS(=O)(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819039963 668973196 /nfs/dbraw/zinc/97/31/96/668973196.db2.gz IAEHBJQEQRPTJK-QGZVFWFLSA-N 2 2 367.515 0.908 20 0 FCADLP CCS(=O)(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819039963 668973199 /nfs/dbraw/zinc/97/31/99/668973199.db2.gz IAEHBJQEQRPTJK-QGZVFWFLSA-N 2 2 367.515 0.908 20 0 FCADLP CSC(C)(C)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000820856802 669135066 /nfs/dbraw/zinc/13/50/66/669135066.db2.gz MRFGGNVGSNIWQZ-UHFFFAOYSA-N 2 2 364.581 0.628 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H](NC(=O)C[NH+]1CCCC1)C(F)(F)F ZINC000820968535 669145020 /nfs/dbraw/zinc/14/50/20/669145020.db2.gz BMWBZDZCYSOBFT-LBPRGKRZSA-N 2 2 350.385 0.341 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)CC1 ZINC000823113841 669320313 /nfs/dbraw/zinc/32/03/13/669320313.db2.gz IJOWVCBNYNGAQB-HNNXBMFYSA-N 2 2 354.520 0.237 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)CC1 ZINC000823113841 669320317 /nfs/dbraw/zinc/32/03/17/669320317.db2.gz IJOWVCBNYNGAQB-HNNXBMFYSA-N 2 2 354.520 0.237 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809616286 669633968 /nfs/dbraw/zinc/63/39/68/669633968.db2.gz MABPPGVTLZLEPM-GFCCVEGCSA-N 2 2 354.476 0.866 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809616286 669633976 /nfs/dbraw/zinc/63/39/76/669633976.db2.gz MABPPGVTLZLEPM-GFCCVEGCSA-N 2 2 354.476 0.866 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000829116529 669684290 /nfs/dbraw/zinc/68/42/90/669684290.db2.gz RXTXQJHMGZLJJM-YOEHRIQHSA-N 2 2 367.515 0.948 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000829117267 669685039 /nfs/dbraw/zinc/68/50/39/669685039.db2.gz ZYNXKJGZSRVTEP-INIZCTEOSA-N 2 2 367.515 0.572 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000831563445 669853039 /nfs/dbraw/zinc/85/30/39/669853039.db2.gz OIGVHAHOXKGWLK-CHWSQXEVSA-N 2 2 362.396 0.103 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000831563445 669853042 /nfs/dbraw/zinc/85/30/42/669853042.db2.gz OIGVHAHOXKGWLK-CHWSQXEVSA-N 2 2 362.396 0.103 20 0 FCADLP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000814647644 669890424 /nfs/dbraw/zinc/89/04/24/669890424.db2.gz AHQYKYYLKYSKMS-CQSZACIVSA-N 2 2 357.476 0.101 20 0 FCADLP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000814647644 669890431 /nfs/dbraw/zinc/89/04/31/669890431.db2.gz AHQYKYYLKYSKMS-CQSZACIVSA-N 2 2 357.476 0.101 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(=O)N(C)OC)CC2)CC1 ZINC000817804818 670034799 /nfs/dbraw/zinc/03/47/99/670034799.db2.gz YBRLHHPPEYXWTE-UHFFFAOYSA-N 2 2 355.483 0.208 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(=O)N(C)OC)CC2)CC1 ZINC000817804818 670034801 /nfs/dbraw/zinc/03/48/01/670034801.db2.gz YBRLHHPPEYXWTE-UHFFFAOYSA-N 2 2 355.483 0.208 20 0 FCADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817978820 670052069 /nfs/dbraw/zinc/05/20/69/670052069.db2.gz FGPLOFAIXMRJAQ-DGCLKSJQSA-N 2 2 363.505 0.800 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=S)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000818268953 670090290 /nfs/dbraw/zinc/09/02/90/670090290.db2.gz URLWLPYUFDYLPK-IYBDPMFKSA-N 2 2 358.552 0.672 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=S)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000818268953 670090294 /nfs/dbraw/zinc/09/02/94/670090294.db2.gz URLWLPYUFDYLPK-IYBDPMFKSA-N 2 2 358.552 0.672 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=S)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000818268949 670090342 /nfs/dbraw/zinc/09/03/42/670090342.db2.gz URLWLPYUFDYLPK-HOTGVXAUSA-N 2 2 358.552 0.672 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061184 670772794 /nfs/dbraw/zinc/77/27/94/670772794.db2.gz BLLRCUPWRMTQER-NVXWUHKLSA-N 2 2 356.488 0.560 20 0 FCADLP C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346913 670802907 /nfs/dbraw/zinc/80/29/07/670802907.db2.gz KYMVXIUUAKAYDM-RYUDHWBXSA-N 2 2 353.854 0.849 20 0 FCADLP C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346913 670802913 /nfs/dbraw/zinc/80/29/13/670802913.db2.gz KYMVXIUUAKAYDM-RYUDHWBXSA-N 2 2 353.854 0.849 20 0 FCADLP C[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1(C[NH3+])CCC1 ZINC000843389378 670811450 /nfs/dbraw/zinc/81/14/50/670811450.db2.gz QWRGVGGDXURNIH-UHFFFAOYSA-N 2 2 351.451 0.476 20 0 FCADLP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1(C[NH3+])CCC1 ZINC000843389378 670811454 /nfs/dbraw/zinc/81/14/54/670811454.db2.gz QWRGVGGDXURNIH-UHFFFAOYSA-N 2 2 351.451 0.476 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000844184534 670906973 /nfs/dbraw/zinc/90/69/73/670906973.db2.gz SODPSWZGYLSTCC-OAHLLOKOSA-N 2 2 373.906 0.965 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000846147237 671085650 /nfs/dbraw/zinc/08/56/50/671085650.db2.gz UWZPRFXLNGHYPV-YOEHRIQHSA-N 2 2 372.535 0.266 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821865 671151855 /nfs/dbraw/zinc/15/18/55/671151855.db2.gz WJUUZWVIJKZAFJ-JKSUJKDBSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821865 671151858 /nfs/dbraw/zinc/15/18/58/671151858.db2.gz WJUUZWVIJKZAFJ-JKSUJKDBSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821865 671151861 /nfs/dbraw/zinc/15/18/61/671151861.db2.gz WJUUZWVIJKZAFJ-JKSUJKDBSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821865 671151864 /nfs/dbraw/zinc/15/18/64/671151864.db2.gz 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CCOc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001018867462 675418048 /nfs/dbraw/zinc/41/80/48/675418048.db2.gz OOTBXJJCPMZQCA-FRRDWIJNSA-N 2 2 353.492 0.968 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001018994977 675419327 /nfs/dbraw/zinc/41/93/27/675419327.db2.gz SSPBRVYCPBPOCS-BFHYXJOUSA-N 2 2 361.471 0.936 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001018994977 675419328 /nfs/dbraw/zinc/41/93/28/675419328.db2.gz SSPBRVYCPBPOCS-BFHYXJOUSA-N 2 2 361.471 0.936 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417023 675714322 /nfs/dbraw/zinc/71/43/22/675714322.db2.gz HICJUWSZKWHNNW-UNEWFSDZSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417023 675714324 /nfs/dbraw/zinc/71/43/24/675714324.db2.gz HICJUWSZKWHNNW-UNEWFSDZSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417023 675714326 /nfs/dbraw/zinc/71/43/26/675714326.db2.gz HICJUWSZKWHNNW-UNEWFSDZSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417023 675714328 /nfs/dbraw/zinc/71/43/28/675714328.db2.gz HICJUWSZKWHNNW-UNEWFSDZSA-N 2 2 369.897 0.836 20 0 FCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505503 675722045 /nfs/dbraw/zinc/72/20/45/675722045.db2.gz HYQKLYSPVNHLFL-RYRKJORJSA-N 2 2 355.479 0.093 20 0 FCADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505503 675722050 /nfs/dbraw/zinc/72/20/50/675722050.db2.gz HYQKLYSPVNHLFL-RYRKJORJSA-N 2 2 355.479 0.093 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000900844998 675723408 /nfs/dbraw/zinc/72/34/08/675723408.db2.gz IZXUOCXLDYQTTQ-ZWKOTPCHSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000900844998 675723412 /nfs/dbraw/zinc/72/34/12/675723412.db2.gz IZXUOCXLDYQTTQ-ZWKOTPCHSA-N 2 2 354.539 0.706 20 0 FCADLP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901037023 675744005 /nfs/dbraw/zinc/74/40/05/675744005.db2.gz XAEIISTZGPDPIP-DAWZGUTISA-N 2 2 351.491 0.811 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC)CCC2(F)F)CC[N@@H+]1C ZINC001046941678 675766873 /nfs/dbraw/zinc/76/68/73/675766873.db2.gz NPYBLXUWEZCODY-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NC)CCC2(F)F)CC[N@H+]1C ZINC001046941678 675766877 /nfs/dbraw/zinc/76/68/77/675766877.db2.gz NPYBLXUWEZCODY-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)CCC2(F)F)CC[NH+]1C ZINC001046941678 675766880 /nfs/dbraw/zinc/76/68/80/675766880.db2.gz NPYBLXUWEZCODY-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)CCC2(F)F)CC[NH+]1C ZINC001046941678 675766883 /nfs/dbraw/zinc/76/68/83/675766883.db2.gz NPYBLXUWEZCODY-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP COc1c[nH]c(CO)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1=O ZINC000902197655 675838410 /nfs/dbraw/zinc/83/84/10/675838410.db2.gz YPVOBDYHGMUKCH-VBNZEHGJSA-N 2 2 351.447 0.559 20 0 FCADLP COc1c[nH]c(CO)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1=O ZINC000902197655 675838415 /nfs/dbraw/zinc/83/84/15/675838415.db2.gz YPVOBDYHGMUKCH-VBNZEHGJSA-N 2 2 351.447 0.559 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547629943 1167801732 /nfs/dbraw/zinc/80/17/32/1167801732.db2.gz JQRCYIWBARZQLD-OAHLLOKOSA-N 2 2 360.462 0.148 20 0 FCADLP COc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001020603604 1168148535 /nfs/dbraw/zinc/14/85/35/1168148535.db2.gz IUJIPMYEXVMPOP-QHSBEEBCSA-N 2 2 356.430 0.759 20 0 FCADLP COc1cccc(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958913 1168237629 /nfs/dbraw/zinc/23/76/29/1168237629.db2.gz ORQPRRNTGMJJFX-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP COc1cccc(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958913 1168237636 /nfs/dbraw/zinc/23/76/36/1168237636.db2.gz ORQPRRNTGMJJFX-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1[nH+]cnc2c1cnn2C ZINC001104268927 1168876206 /nfs/dbraw/zinc/87/62/06/1168876206.db2.gz VYCZELJPUVFEIK-OUCADQQQSA-N 2 2 361.450 0.247 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1[nH+]cnc2c1cnn2C ZINC001104268927 1168876207 /nfs/dbraw/zinc/87/62/07/1168876207.db2.gz VYCZELJPUVFEIK-OUCADQQQSA-N 2 2 361.450 0.247 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104274876 1168891668 /nfs/dbraw/zinc/89/16/68/1168891668.db2.gz YZXQXGLCFUVORH-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104274876 1168891672 /nfs/dbraw/zinc/89/16/72/1168891672.db2.gz YZXQXGLCFUVORH-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)CC1 ZINC001272096009 1192333327 /nfs/dbraw/zinc/33/33/27/1192333327.db2.gz GAHZZASXPYAEQB-HDICACEKSA-N 2 2 361.490 0.527 20 0 FCADLP CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)CC1 ZINC001272096009 1192333332 /nfs/dbraw/zinc/33/33/32/1192333332.db2.gz GAHZZASXPYAEQB-HDICACEKSA-N 2 2 361.490 0.527 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nccn2C)O1 ZINC001021297315 1168959305 /nfs/dbraw/zinc/95/93/05/1168959305.db2.gz LHTRJWRWHKICIT-AKBNIOSXSA-N 2 2 361.490 0.751 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nccn2C)O1 ZINC001021297315 1168959321 /nfs/dbraw/zinc/95/93/21/1168959321.db2.gz LHTRJWRWHKICIT-AKBNIOSXSA-N 2 2 361.490 0.751 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccn2C)O1 ZINC001021297315 1168959347 /nfs/dbraw/zinc/95/93/47/1168959347.db2.gz LHTRJWRWHKICIT-AKBNIOSXSA-N 2 2 361.490 0.751 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nccn2C)O1 ZINC001021297315 1168959373 /nfs/dbraw/zinc/95/93/73/1168959373.db2.gz LHTRJWRWHKICIT-AKBNIOSXSA-N 2 2 361.490 0.751 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccn(C)n2)O1 ZINC001021298230 1168964314 /nfs/dbraw/zinc/96/43/14/1168964314.db2.gz YQYXPAXJJNUQRX-POGJWJPPSA-N 2 2 361.490 0.751 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccn(C)n2)O1 ZINC001021298230 1168964338 /nfs/dbraw/zinc/96/43/38/1168964338.db2.gz YQYXPAXJJNUQRX-POGJWJPPSA-N 2 2 361.490 0.751 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccn(C)n2)O1 ZINC001021298230 1168964360 /nfs/dbraw/zinc/96/43/60/1168964360.db2.gz YQYXPAXJJNUQRX-POGJWJPPSA-N 2 2 361.490 0.751 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccn(C)n2)O1 ZINC001021298230 1168964374 /nfs/dbraw/zinc/96/43/74/1168964374.db2.gz YQYXPAXJJNUQRX-POGJWJPPSA-N 2 2 361.490 0.751 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)C1CC1 ZINC001021488826 1169460878 /nfs/dbraw/zinc/46/08/78/1169460878.db2.gz HDAXSXYTAVJEHC-DAYGRLMNSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489699 1169466727 /nfs/dbraw/zinc/46/67/27/1169466727.db2.gz CPNARYQWQLDNOK-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489699 1169466731 /nfs/dbraw/zinc/46/67/31/1169466731.db2.gz CPNARYQWQLDNOK-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC001021490996 1169473068 /nfs/dbraw/zinc/47/30/68/1169473068.db2.gz VNGISEGYYLEUIE-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC001021490996 1169473085 /nfs/dbraw/zinc/47/30/85/1169473085.db2.gz VNGISEGYYLEUIE-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493222 1169607130 /nfs/dbraw/zinc/60/71/30/1169607130.db2.gz PTZAOZNAQPANHP-BJLQDIEVSA-N 2 2 365.518 0.698 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493222 1169607133 /nfs/dbraw/zinc/60/71/33/1169607133.db2.gz PTZAOZNAQPANHP-BJLQDIEVSA-N 2 2 365.518 0.698 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC001021709044 1169907367 /nfs/dbraw/zinc/90/73/67/1169907367.db2.gz PDDXTVYTLMWXLW-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001087141443 1170009287 /nfs/dbraw/zinc/00/92/87/1170009287.db2.gz MKICSZHVWCDABS-IJEWVQPXSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001087141443 1170009292 /nfs/dbraw/zinc/00/92/92/1170009292.db2.gz MKICSZHVWCDABS-IJEWVQPXSA-N 2 2 366.462 0.731 20 0 FCADLP CCn1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001087141422 1170009940 /nfs/dbraw/zinc/00/99/40/1170009940.db2.gz LQEOUASDDBLIMQ-NJAFHUGGSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001087141422 1170009947 /nfs/dbraw/zinc/00/99/47/1170009947.db2.gz LQEOUASDDBLIMQ-NJAFHUGGSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988717998 1192401782 /nfs/dbraw/zinc/40/17/82/1192401782.db2.gz OFHWEHBDRMYLHC-VYDXJSESSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000123963115 1170216241 /nfs/dbraw/zinc/21/62/41/1170216241.db2.gz FUCICMVYYCYTBP-APWZRJJASA-N 2 2 360.502 0.883 20 0 FCADLP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000123963115 1170216245 /nfs/dbraw/zinc/21/62/45/1170216245.db2.gz FUCICMVYYCYTBP-APWZRJJASA-N 2 2 360.502 0.883 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001021996477 1170369311 /nfs/dbraw/zinc/36/93/11/1170369311.db2.gz GZGIXQHMKQOLME-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21)[NH+](C)C ZINC001022021031 1170402782 /nfs/dbraw/zinc/40/27/82/1170402782.db2.gz YIFWGMWTOFGPDN-USXIJHARSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219859 1170428243 /nfs/dbraw/zinc/42/82/43/1170428243.db2.gz RBDBJIHTYHKCFD-FHLIZLRMSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219859 1170428283 /nfs/dbraw/zinc/42/82/83/1170428283.db2.gz RBDBJIHTYHKCFD-FHLIZLRMSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219859 1170428325 /nfs/dbraw/zinc/42/83/25/1170428325.db2.gz RBDBJIHTYHKCFD-FHLIZLRMSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219859 1170428353 /nfs/dbraw/zinc/42/83/53/1170428353.db2.gz RBDBJIHTYHKCFD-FHLIZLRMSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022095312 1170619960 /nfs/dbraw/zinc/61/99/60/1170619960.db2.gz OMKVDAWRAVBRCV-IBEHDNSVSA-N 2 2 357.458 0.279 20 0 FCADLP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001104367028 1170647320 /nfs/dbraw/zinc/64/73/20/1170647320.db2.gz DPJHHYVSOPNQRR-OAGGEKHMSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104367527 1170660798 /nfs/dbraw/zinc/66/07/98/1170660798.db2.gz XGAQZYZXRQURQX-IXDOHACOSA-N 2 2 371.489 0.811 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001022214474 1170762102 /nfs/dbraw/zinc/76/21/02/1170762102.db2.gz ZRVCVBGILJTMIV-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001022214474 1170762114 /nfs/dbraw/zinc/76/21/14/1170762114.db2.gz ZRVCVBGILJTMIV-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988746330 1192431423 /nfs/dbraw/zinc/43/14/23/1192431423.db2.gz FGKAIYVACOXAFY-MIGQKNRLSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000988746330 1192431426 /nfs/dbraw/zinc/43/14/26/1192431426.db2.gz FGKAIYVACOXAFY-MIGQKNRLSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C(C)(C)C)no3)C2)O1 ZINC001022276598 1170824803 /nfs/dbraw/zinc/82/48/03/1170824803.db2.gz NRKFDKWFVORXBG-YIYPIFLZSA-N 2 2 365.478 0.823 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C(C)(C)C)no3)C2)O1 ZINC001022276598 1170824806 /nfs/dbraw/zinc/82/48/06/1170824806.db2.gz NRKFDKWFVORXBG-YIYPIFLZSA-N 2 2 365.478 0.823 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]21 ZINC001022315265 1170850287 /nfs/dbraw/zinc/85/02/87/1170850287.db2.gz XZOJTBKRYGUGFZ-UKPHBRMFSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21 ZINC001022315265 1170850290 /nfs/dbraw/zinc/85/02/90/1170850290.db2.gz XZOJTBKRYGUGFZ-UKPHBRMFSA-N 2 2 359.474 0.804 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C ZINC000988749844 1192438669 /nfs/dbraw/zinc/43/86/69/1192438669.db2.gz ASZXWCARISARCX-YCPHGPKFSA-N 2 2 360.458 0.690 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC000988749844 1192438674 /nfs/dbraw/zinc/43/86/74/1192438674.db2.gz ASZXWCARISARCX-YCPHGPKFSA-N 2 2 360.458 0.690 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001087181425 1171037427 /nfs/dbraw/zinc/03/74/27/1171037427.db2.gz QTBNPBDVEPJCNS-WCXIOVBPSA-N 2 2 361.490 0.912 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001087181425 1171037436 /nfs/dbraw/zinc/03/74/36/1171037436.db2.gz QTBNPBDVEPJCNS-WCXIOVBPSA-N 2 2 361.490 0.912 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087183539 1171066001 /nfs/dbraw/zinc/06/60/01/1171066001.db2.gz VSCUMUPJXPIZIM-INMHGKMJSA-N 2 2 371.489 0.991 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001691358521 1171199746 /nfs/dbraw/zinc/19/97/46/1171199746.db2.gz JQJFNJQLXXLDJV-BZPMIXESSA-N 2 2 364.450 0.142 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001691358521 1171199756 /nfs/dbraw/zinc/19/97/56/1171199756.db2.gz JQJFNJQLXXLDJV-BZPMIXESSA-N 2 2 364.450 0.142 20 0 FCADLP Cc1oncc1C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691406573 1171281804 /nfs/dbraw/zinc/28/18/04/1171281804.db2.gz VURKVFUKZOVJGH-SJORKVTESA-N 2 2 366.462 0.411 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC000971959275 1171456675 /nfs/dbraw/zinc/45/66/75/1171456675.db2.gz ATLYHAFXXVQYGN-BZUAXINKSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC000971959275 1171456682 /nfs/dbraw/zinc/45/66/82/1171456682.db2.gz ATLYHAFXXVQYGN-BZUAXINKSA-N 2 2 359.474 0.743 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000892050276 1171530025 /nfs/dbraw/zinc/53/00/25/1171530025.db2.gz CALARNABJYHCRP-GOSISDBHSA-N 2 2 364.490 0.731 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000892050276 1171530038 /nfs/dbraw/zinc/53/00/38/1171530038.db2.gz CALARNABJYHCRP-GOSISDBHSA-N 2 2 364.490 0.731 20 0 FCADLP 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C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001022718922 1171810486 /nfs/dbraw/zinc/81/04/86/1171810486.db2.gz ZKHQBCOWUOBROU-YQQAZPJKSA-N 2 2 359.474 0.886 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001022734279 1171835298 /nfs/dbraw/zinc/83/52/98/1171835298.db2.gz PZLXXDPERDUAKP-LXTVHRRPSA-N 2 2 369.473 0.888 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001022736682 1171839529 /nfs/dbraw/zinc/83/95/29/1171839529.db2.gz ZRJQLJGJSQHQSF-IBEHDNSVSA-N 2 2 359.474 0.677 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087212405 1171864609 /nfs/dbraw/zinc/86/46/09/1171864609.db2.gz AJVZPNWJRKTMIH-ILXRZTDVSA-N 2 2 364.494 0.167 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087212405 1171864611 /nfs/dbraw/zinc/86/46/11/1171864611.db2.gz AJVZPNWJRKTMIH-ILXRZTDVSA-N 2 2 364.494 0.167 20 0 FCADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000125271642 1171894107 /nfs/dbraw/zinc/89/41/07/1171894107.db2.gz JBGFGUVNOBMPDX-UHFFFAOYSA-N 2 2 357.458 0.284 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972310459 1171952415 /nfs/dbraw/zinc/95/24/15/1171952415.db2.gz CBWCWBODWOEHJH-KBAYOESNSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972310459 1171952425 /nfs/dbraw/zinc/95/24/25/1171952425.db2.gz CBWCWBODWOEHJH-KBAYOESNSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972312985 1171956579 /nfs/dbraw/zinc/95/65/79/1171956579.db2.gz NTANGLHZAZSPOY-BRWVUGGUSA-N 2 2 371.485 0.743 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)Cc4c[nH+]cn4C)[C@H]3C2)C1 ZINC001083248321 1172009039 /nfs/dbraw/zinc/00/90/39/1172009039.db2.gz AEQIRIXLACFEQD-DQVOVIAYSA-N 2 2 362.474 0.689 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)Cc4c[nH+]cn4C)[C@H]3C2)C1 ZINC001083248321 1172009047 /nfs/dbraw/zinc/00/90/47/1172009047.db2.gz AEQIRIXLACFEQD-DQVOVIAYSA-N 2 2 362.474 0.689 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083248394 1172009250 /nfs/dbraw/zinc/00/92/50/1172009250.db2.gz FAYVNQFNRDVURM-RBUKOAKNSA-N 2 2 370.453 0.567 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083248394 1172009259 /nfs/dbraw/zinc/00/92/59/1172009259.db2.gz FAYVNQFNRDVURM-RBUKOAKNSA-N 2 2 370.453 0.567 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249382 1172022378 /nfs/dbraw/zinc/02/23/78/1172022378.db2.gz BQULPTMFJWNCNQ-DLBZAZTESA-N 2 2 360.458 0.744 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249382 1172022385 /nfs/dbraw/zinc/02/23/85/1172022385.db2.gz BQULPTMFJWNCNQ-DLBZAZTESA-N 2 2 360.458 0.744 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000611724387 1172080971 /nfs/dbraw/zinc/08/09/71/1172080971.db2.gz OLAQIUTYUDLXGW-ROUUACIJSA-N 2 2 368.522 0.849 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]3O)ccn12 ZINC001083461022 1192500099 /nfs/dbraw/zinc/50/00/99/1192500099.db2.gz JDDMRHJXNYJNGF-OIISXLGYSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@@H]3O)ccn12 ZINC001083461022 1192500102 /nfs/dbraw/zinc/50/01/02/1192500102.db2.gz JDDMRHJXNYJNGF-OIISXLGYSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@H]3O)ccn12 ZINC001083461111 1192500603 /nfs/dbraw/zinc/50/06/03/1192500603.db2.gz NKHHVBYUSYDSDU-UAGQMJEPSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@@H]3O)ccn12 ZINC001083461111 1192500610 /nfs/dbraw/zinc/50/06/10/1192500610.db2.gz NKHHVBYUSYDSDU-UAGQMJEPSA-N 2 2 358.442 0.844 20 0 FCADLP COCCOC[N@@H+]1CCC2(CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C2)C1 ZINC001272134349 1192571229 /nfs/dbraw/zinc/57/12/29/1192571229.db2.gz KPDBQJWJTGAYFD-UHFFFAOYSA-N 2 2 361.446 0.760 20 0 FCADLP COCCOC[N@H+]1CCC2(CN(C(=O)c3ccc(NC(N)=[NH2+])cc3)C2)C1 ZINC001272134349 1192571230 /nfs/dbraw/zinc/57/12/30/1192571230.db2.gz KPDBQJWJTGAYFD-UHFFFAOYSA-N 2 2 361.446 0.760 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989021138 1192628934 /nfs/dbraw/zinc/62/89/34/1192628934.db2.gz MBJZJNCBZNZVDY-QIIPPGSGSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000989050071 1192655026 /nfs/dbraw/zinc/65/50/26/1192655026.db2.gz FRIKRQOLSKVDEK-XYPHTWIQSA-N 2 2 359.474 0.410 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001272167181 1192684184 /nfs/dbraw/zinc/68/41/84/1192684184.db2.gz YQQBFMYJWAQHPQ-BBWFWOEESA-N 2 2 357.458 0.638 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272184406 1192707617 /nfs/dbraw/zinc/70/76/17/1192707617.db2.gz OUKGUESNIGENFN-MRXNPFEDSA-N 2 2 357.458 0.428 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000519708922 1192800244 /nfs/dbraw/zinc/80/02/44/1192800244.db2.gz HXCKVMWJSQPUTG-MRXNPFEDSA-N 2 2 357.462 0.144 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658706 1192806388 /nfs/dbraw/zinc/80/63/88/1192806388.db2.gz QRWVFCXJTMYHBR-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658706 1192806389 /nfs/dbraw/zinc/80/63/89/1192806389.db2.gz QRWVFCXJTMYHBR-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658706 1192806393 /nfs/dbraw/zinc/80/63/93/1192806393.db2.gz QRWVFCXJTMYHBR-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)cn1 ZINC001088658706 1192806395 /nfs/dbraw/zinc/80/63/95/1192806395.db2.gz QRWVFCXJTMYHBR-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001088687384 1192822487 /nfs/dbraw/zinc/82/24/87/1192822487.db2.gz CLCHGXBETHRANJ-CJNGLKHVSA-N 2 2 360.462 0.905 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1CCc1cnn(C)c1 ZINC001088687384 1192822489 /nfs/dbraw/zinc/82/24/89/1192822489.db2.gz CLCHGXBETHRANJ-CJNGLKHVSA-N 2 2 360.462 0.905 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)CC2)C1=O ZINC000897756583 1192844439 /nfs/dbraw/zinc/84/44/39/1192844439.db2.gz OADMEOBPEJYIEW-IAGOWNOFSA-N 2 2 374.489 0.601 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)CC2)C1=O ZINC000897756583 1192844441 /nfs/dbraw/zinc/84/44/41/1192844441.db2.gz OADMEOBPEJYIEW-IAGOWNOFSA-N 2 2 374.489 0.601 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000842035261 1192861140 /nfs/dbraw/zinc/86/11/40/1192861140.db2.gz JVXPUMXEELRGLD-CHWSQXEVSA-N 2 2 356.430 0.401 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075943533 1192870796 /nfs/dbraw/zinc/87/07/96/1192870796.db2.gz VIKPNOIXGVHDDN-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075943533 1192870797 /nfs/dbraw/zinc/87/07/97/1192870797.db2.gz VIKPNOIXGVHDDN-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075943533 1192870798 /nfs/dbraw/zinc/87/07/98/1192870798.db2.gz VIKPNOIXGVHDDN-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075943533 1192870802 /nfs/dbraw/zinc/87/08/02/1192870802.db2.gz VIKPNOIXGVHDDN-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000989482940 1192871655 /nfs/dbraw/zinc/87/16/55/1192871655.db2.gz WYTCGHMPTRCQLZ-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000989482940 1192871657 /nfs/dbraw/zinc/87/16/57/1192871657.db2.gz WYTCGHMPTRCQLZ-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083259500 1179316109 /nfs/dbraw/zinc/31/61/09/1179316109.db2.gz DXGZNDMOHIRHFV-RBUKOAKNSA-N 2 2 370.453 0.865 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083259500 1179316112 /nfs/dbraw/zinc/31/61/12/1179316112.db2.gz DXGZNDMOHIRHFV-RBUKOAKNSA-N 2 2 370.453 0.865 20 0 FCADLP CCn1nncc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451571 1179758057 /nfs/dbraw/zinc/75/80/57/1179758057.db2.gz QNTNYOJFTQWYBE-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451571 1179758069 /nfs/dbraw/zinc/75/80/69/1179758069.db2.gz QNTNYOJFTQWYBE-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023601050 1179906585 /nfs/dbraw/zinc/90/65/85/1179906585.db2.gz NAOPAURCJTVIQG-NUEKZKHPSA-N 2 2 357.462 0.681 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023601050 1179906598 /nfs/dbraw/zinc/90/65/98/1179906598.db2.gz NAOPAURCJTVIQG-NUEKZKHPSA-N 2 2 357.462 0.681 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)CCC1 ZINC000972637878 1180089108 /nfs/dbraw/zinc/08/91/08/1180089108.db2.gz DPPRZRKTVCFJDF-HZPDHXFCSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21)C1CCC1 ZINC000972739407 1180691224 /nfs/dbraw/zinc/69/12/24/1180691224.db2.gz SYSUVUPPRCIHRB-GDBMZVCRSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21)C1CCC1 ZINC000972739407 1180691251 /nfs/dbraw/zinc/69/12/51/1180691251.db2.gz SYSUVUPPRCIHRB-GDBMZVCRSA-N 2 2 359.474 0.886 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)[NH+](C)C ZINC001024493017 1181241237 /nfs/dbraw/zinc/24/12/37/1181241237.db2.gz MCNATKQZHFIJNN-BZUAXINKSA-N 2 2 359.430 0.205 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112522303 1181270643 /nfs/dbraw/zinc/27/06/43/1181270643.db2.gz PROHSOZZRGYSKF-ZVZYQTTQSA-N 2 2 365.453 0.645 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112522303 1181270646 /nfs/dbraw/zinc/27/06/46/1181270646.db2.gz PROHSOZZRGYSKF-ZVZYQTTQSA-N 2 2 365.453 0.645 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083275221 1181783086 /nfs/dbraw/zinc/78/30/86/1181783086.db2.gz SZWTVWJYIZVMPX-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]21 ZINC001083275221 1181783093 /nfs/dbraw/zinc/78/30/93/1181783093.db2.gz SZWTVWJYIZVMPX-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083275490 1181850560 /nfs/dbraw/zinc/85/05/60/1181850560.db2.gz HBAFCCLTLLMVMS-RRFJBIMHSA-N 2 2 370.400 0.527 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083275490 1181850561 /nfs/dbraw/zinc/85/05/61/1181850561.db2.gz HBAFCCLTLLMVMS-RRFJBIMHSA-N 2 2 370.400 0.527 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC[C@H]21 ZINC000659256389 1182105603 /nfs/dbraw/zinc/10/56/03/1182105603.db2.gz OXUIGRPPGDIVFC-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC[C@H]21 ZINC000659256389 1182105609 /nfs/dbraw/zinc/10/56/09/1182105609.db2.gz OXUIGRPPGDIVFC-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104576923 1182105811 /nfs/dbraw/zinc/10/58/11/1182105811.db2.gz CZEBBKSELXOAJP-INMHGKMJSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104576923 1182105817 /nfs/dbraw/zinc/10/58/17/1182105817.db2.gz CZEBBKSELXOAJP-INMHGKMJSA-N 2 2 366.506 0.189 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211645004 1182262403 /nfs/dbraw/zinc/26/24/03/1182262403.db2.gz PVBJDIJIUZWOFP-ZWKOTPCHSA-N 2 2 369.469 0.994 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC000973416288 1182296272 /nfs/dbraw/zinc/29/62/72/1182296272.db2.gz NDYPXGSDCCSADP-LSCFUAHRSA-N 2 2 371.441 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC000973416288 1182296280 /nfs/dbraw/zinc/29/62/80/1182296280.db2.gz NDYPXGSDCCSADP-LSCFUAHRSA-N 2 2 371.441 0.659 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104699341 1182379224 /nfs/dbraw/zinc/37/92/24/1182379224.db2.gz OEWPFJGTMUIVPZ-MUIFIZLQSA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104699114 1182379343 /nfs/dbraw/zinc/37/93/43/1182379343.db2.gz DELPQPYNQMNBNF-KLHDSHLOSA-N 2 2 371.489 0.927 20 0 FCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1C ZINC001104728861 1182400809 /nfs/dbraw/zinc/40/08/09/1182400809.db2.gz DQPLGDDKUULLQR-ZIAGYGMSSA-N 2 2 359.478 0.918 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892762172 1182480832 /nfs/dbraw/zinc/48/08/32/1182480832.db2.gz FZJUTDNGXIDMOP-IKGGRYGDSA-N 2 2 366.506 0.650 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000892776331 1182496972 /nfs/dbraw/zinc/49/69/72/1182496972.db2.gz GRWCEORKNIWESL-IAGOWNOFSA-N 2 2 366.506 0.651 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1)N1CCC1 ZINC001083283813 1182502035 /nfs/dbraw/zinc/50/20/35/1182502035.db2.gz VDYUYERWKHXBDL-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1)N1CCC1 ZINC001083283813 1182502050 /nfs/dbraw/zinc/50/20/50/1182502050.db2.gz VDYUYERWKHXBDL-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815125 1182859323 /nfs/dbraw/zinc/85/93/23/1182859323.db2.gz ZBABOPTUFJUJIM-UMIRMJGQSA-N 2 2 353.430 0.339 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815125 1182859325 /nfs/dbraw/zinc/85/93/25/1182859325.db2.gz ZBABOPTUFJUJIM-UMIRMJGQSA-N 2 2 353.430 0.339 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815125 1182859327 /nfs/dbraw/zinc/85/93/27/1182859327.db2.gz ZBABOPTUFJUJIM-UMIRMJGQSA-N 2 2 353.430 0.339 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815125 1182859328 /nfs/dbraw/zinc/85/93/28/1182859328.db2.gz ZBABOPTUFJUJIM-UMIRMJGQSA-N 2 2 353.430 0.339 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001025818277 1182860461 /nfs/dbraw/zinc/86/04/61/1182860461.db2.gz NCQFAMYOBHAPNX-QHNADIDASA-N 2 2 359.474 0.612 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001025818277 1182860462 /nfs/dbraw/zinc/86/04/62/1182860462.db2.gz NCQFAMYOBHAPNX-QHNADIDASA-N 2 2 359.474 0.612 20 0 FCADLP Cc1cnc([C@@H](C)[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001025818277 1182860464 /nfs/dbraw/zinc/86/04/64/1182860464.db2.gz NCQFAMYOBHAPNX-QHNADIDASA-N 2 2 359.474 0.612 20 0 FCADLP Cc1cnc([C@@H](C)[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001025818277 1182860466 /nfs/dbraw/zinc/86/04/66/1182860466.db2.gz NCQFAMYOBHAPNX-QHNADIDASA-N 2 2 359.474 0.612 20 0 FCADLP COc1ncnc(OC)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637406 1182864513 /nfs/dbraw/zinc/86/45/13/1182864513.db2.gz RBQUHMFGNNCYMM-AWEZNQCLSA-N 2 2 363.462 0.734 20 0 FCADLP COc1ncnc(OC)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637406 1182864516 /nfs/dbraw/zinc/86/45/16/1182864516.db2.gz RBQUHMFGNNCYMM-AWEZNQCLSA-N 2 2 363.462 0.734 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@]34CC(=O)N[C@H]3CCCC4)C2)CC1 ZINC000893022493 1182865800 /nfs/dbraw/zinc/86/58/00/1182865800.db2.gz LXIQWHRZZPGXIA-URLQWDBASA-N 2 2 363.506 0.655 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@]34CC(=O)N[C@H]3CCCC4)C2)CC1 ZINC000893022493 1182865804 /nfs/dbraw/zinc/86/58/04/1182865804.db2.gz LXIQWHRZZPGXIA-URLQWDBASA-N 2 2 363.506 0.655 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001026054442 1182876450 /nfs/dbraw/zinc/87/64/50/1182876450.db2.gz AYPVVYZGAJSORC-AATNOEDMSA-N 2 2 366.412 0.994 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001026054442 1182876451 /nfs/dbraw/zinc/87/64/51/1182876451.db2.gz AYPVVYZGAJSORC-AATNOEDMSA-N 2 2 366.412 0.994 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026054954 1182876693 /nfs/dbraw/zinc/87/66/93/1182876693.db2.gz ORBSLQSCLWCCNS-LAOQMUKWSA-N 2 2 371.485 0.486 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026054954 1182876697 /nfs/dbraw/zinc/87/66/97/1182876697.db2.gz ORBSLQSCLWCCNS-LAOQMUKWSA-N 2 2 371.485 0.486 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)cn1 ZINC001083290577 1182902857 /nfs/dbraw/zinc/90/28/57/1182902857.db2.gz JEALEJRXFFZZAH-DLBZAZTESA-N 2 2 358.446 0.254 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)cn1 ZINC001083290577 1182902861 /nfs/dbraw/zinc/90/28/61/1182902861.db2.gz JEALEJRXFFZZAH-DLBZAZTESA-N 2 2 358.446 0.254 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104794604 1182923851 /nfs/dbraw/zinc/92/38/51/1182923851.db2.gz DAEJVFVWRGJNIH-HZPDHXFCSA-N 2 2 364.494 0.112 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000974162999 1183023013 /nfs/dbraw/zinc/02/30/13/1183023013.db2.gz GRYNLRHHXZFTFK-JJTUDDRGSA-N 2 2 371.485 0.629 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001105097589 1183118113 /nfs/dbraw/zinc/11/81/13/1183118113.db2.gz SCXNRMSSJKGMEU-HUUCEWRRSA-N 2 2 360.466 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001105101869 1183122091 /nfs/dbraw/zinc/12/20/91/1183122091.db2.gz LKONBZQGMWBRPE-BRWVUGGUSA-N 2 2 361.490 0.874 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105609 1183124201 /nfs/dbraw/zinc/12/42/01/1183124201.db2.gz ZJIRMCKACGINRA-KURKYZTESA-N 2 2 366.506 0.991 20 0 FCADLP CCc1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001026514596 1183145409 /nfs/dbraw/zinc/14/54/09/1183145409.db2.gz KQYNENGRNHQYRY-XSCHDIRWSA-N 2 2 365.478 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2C)CC1 ZINC001026562621 1183157287 /nfs/dbraw/zinc/15/72/87/1183157287.db2.gz KOWMGLMKAQJUPJ-NEXFUWMNSA-N 2 2 357.462 0.869 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000974410775 1183199143 /nfs/dbraw/zinc/19/91/43/1183199143.db2.gz KTFZDYLTEXOUPJ-AALSBFMBSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000974410775 1183199148 /nfs/dbraw/zinc/19/91/48/1183199148.db2.gz KTFZDYLTEXOUPJ-AALSBFMBSA-N 2 2 359.474 0.629 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1)[NH+](C)C ZINC000974586565 1183366007 /nfs/dbraw/zinc/36/60/07/1183366007.db2.gz VUXZKCPOHADXDH-KYJSFNMBSA-N 2 2 361.490 0.608 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001027075452 1183719196 /nfs/dbraw/zinc/71/91/96/1183719196.db2.gz SFMDOHCECALZHX-NUEKZKHPSA-N 2 2 357.462 0.773 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC000975424829 1183867007 /nfs/dbraw/zinc/86/70/07/1183867007.db2.gz UGFIXQZMXJHLDN-SZVBFZGTSA-N 2 2 371.485 0.886 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000975785482 1185785859 /nfs/dbraw/zinc/78/58/59/1185785859.db2.gz MIBORCJHIULBST-IKGGRYGDSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000975785482 1185785870 /nfs/dbraw/zinc/78/58/70/1185785870.db2.gz MIBORCJHIULBST-IKGGRYGDSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)CC[N@@H+]1C ZINC000976100075 1185884975 /nfs/dbraw/zinc/88/49/75/1185884975.db2.gz REGKKHLKYNIEPN-WTTBNOFXSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)CC[N@H+]1C ZINC000976100075 1185884977 /nfs/dbraw/zinc/88/49/77/1185884977.db2.gz REGKKHLKYNIEPN-WTTBNOFXSA-N 2 2 359.474 0.742 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)n1 ZINC000978737342 1185997498 /nfs/dbraw/zinc/99/74/98/1185997498.db2.gz AQGUNQABTDVMSF-HHARLNAUSA-N 2 2 354.458 0.751 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)n1 ZINC000978737342 1185997502 /nfs/dbraw/zinc/99/75/02/1185997502.db2.gz AQGUNQABTDVMSF-HHARLNAUSA-N 2 2 354.458 0.751 20 0 FCADLP O=C(NC[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000978960081 1186035369 /nfs/dbraw/zinc/03/53/69/1186035369.db2.gz MPEVGNZMYMIOKW-LBWNCTQTSA-N 2 2 371.485 0.866 20 0 FCADLP O=C(NC[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000978960081 1186035373 /nfs/dbraw/zinc/03/53/73/1186035373.db2.gz MPEVGNZMYMIOKW-LBWNCTQTSA-N 2 2 371.485 0.866 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000979321356 1186079138 /nfs/dbraw/zinc/07/91/38/1186079138.db2.gz XDHMFZSXOWPMQR-QKPAOTATSA-N 2 2 370.457 0.740 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966426 1186241011 /nfs/dbraw/zinc/24/10/11/1186241011.db2.gz PUGAGIZPRGAQNJ-FRFSOERESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966426 1186241017 /nfs/dbraw/zinc/24/10/17/1186241017.db2.gz PUGAGIZPRGAQNJ-FRFSOERESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966426 1186241024 /nfs/dbraw/zinc/24/10/24/1186241024.db2.gz PUGAGIZPRGAQNJ-FRFSOERESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966426 1186241030 /nfs/dbraw/zinc/24/10/30/1186241030.db2.gz PUGAGIZPRGAQNJ-FRFSOERESA-N 2 2 364.494 0.406 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981185477 1186343985 /nfs/dbraw/zinc/34/39/85/1186343985.db2.gz WONWEKIIISHDLW-OIISXLGYSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981185477 1186343988 /nfs/dbraw/zinc/34/39/88/1186343988.db2.gz WONWEKIIISHDLW-OIISXLGYSA-N 2 2 366.506 0.141 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC000982021955 1186630365 /nfs/dbraw/zinc/63/03/65/1186630365.db2.gz NRFMUEKLWCODSY-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC000982021955 1186630370 /nfs/dbraw/zinc/63/03/70/1186630370.db2.gz NRFMUEKLWCODSY-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713861 1186699056 /nfs/dbraw/zinc/69/90/56/1186699056.db2.gz WQGQHMODGNVBIR-FUHWJXTLSA-N 2 2 369.469 0.981 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643759 1187566509 /nfs/dbraw/zinc/56/65/09/1187566509.db2.gz KFFAKTTUPZDZOL-QXAKKESOSA-N 2 2 359.470 0.929 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643759 1187566511 /nfs/dbraw/zinc/56/65/11/1187566511.db2.gz KFFAKTTUPZDZOL-QXAKKESOSA-N 2 2 359.470 0.929 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643759 1187566517 /nfs/dbraw/zinc/56/65/17/1187566517.db2.gz KFFAKTTUPZDZOL-QXAKKESOSA-N 2 2 359.470 0.929 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372274 1187692708 /nfs/dbraw/zinc/69/27/08/1187692708.db2.gz JAHIONVKEABFSY-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372274 1187692710 /nfs/dbraw/zinc/69/27/10/1187692710.db2.gz JAHIONVKEABFSY-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372274 1187692712 /nfs/dbraw/zinc/69/27/12/1187692712.db2.gz JAHIONVKEABFSY-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372274 1187692713 /nfs/dbraw/zinc/69/27/13/1187692713.db2.gz JAHIONVKEABFSY-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385085 1187712772 /nfs/dbraw/zinc/71/27/72/1187712772.db2.gz DCZWEEGZWQWBNO-SOLBZPMBSA-N 2 2 359.426 0.425 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385085 1187712774 /nfs/dbraw/zinc/71/27/74/1187712774.db2.gz DCZWEEGZWQWBNO-SOLBZPMBSA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385085 1187712779 /nfs/dbraw/zinc/71/27/79/1187712779.db2.gz DCZWEEGZWQWBNO-SOLBZPMBSA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385085 1187712784 /nfs/dbraw/zinc/71/27/84/1187712784.db2.gz DCZWEEGZWQWBNO-SOLBZPMBSA-N 2 2 359.426 0.425 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629024 1187757083 /nfs/dbraw/zinc/75/70/83/1187757083.db2.gz DRSDODCGLNTCGV-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629024 1187757086 /nfs/dbraw/zinc/75/70/86/1187757086.db2.gz DRSDODCGLNTCGV-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629024 1187757091 /nfs/dbraw/zinc/75/70/91/1187757091.db2.gz DRSDODCGLNTCGV-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629024 1187757096 /nfs/dbraw/zinc/75/70/96/1187757096.db2.gz DRSDODCGLNTCGV-IJEWVQPXSA-N 2 2 363.462 0.142 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000982995336 1187809762 /nfs/dbraw/zinc/80/97/62/1187809762.db2.gz UIYWGEIWGCXZBE-BZUAXINKSA-N 2 2 370.457 0.693 20 0 FCADLP COCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001269046234 1187810653 /nfs/dbraw/zinc/81/06/53/1187810653.db2.gz AMCMAHVMEBRDHU-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP COCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001269046234 1187810654 /nfs/dbraw/zinc/81/06/54/1187810654.db2.gz AMCMAHVMEBRDHU-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)CC1 ZINC000545916614 1187835795 /nfs/dbraw/zinc/83/57/95/1187835795.db2.gz CCUJVCVULSSLBZ-GOSISDBHSA-N 2 2 369.506 0.877 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1=O ZINC001270329132 1188096947 /nfs/dbraw/zinc/09/69/47/1188096947.db2.gz MBHLWGKWAKSCLU-KUHUBIRLSA-N 2 2 359.474 0.985 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332498 1188100224 /nfs/dbraw/zinc/10/02/24/1188100224.db2.gz KJIXZUCRVARAIG-BEFAXECRSA-N 2 2 359.474 0.713 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332498 1188100230 /nfs/dbraw/zinc/10/02/30/1188100230.db2.gz KJIXZUCRVARAIG-BEFAXECRSA-N 2 2 359.474 0.713 20 0 FCADLP C[C@H](C(=O)N1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1)[NH+]1CCCC1 ZINC001270488324 1188169982 /nfs/dbraw/zinc/16/99/82/1188169982.db2.gz BQHZXUONMICIIE-DNVCBOLYSA-N 2 2 359.474 0.855 20 0 FCADLP Cc1nnc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001029112202 1188294468 /nfs/dbraw/zinc/29/44/68/1188294468.db2.gz XRJKCVHAMZJJKB-XJKCOSOUSA-N 2 2 364.494 0.549 20 0 FCADLP Cc1nnc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001029112202 1188294470 /nfs/dbraw/zinc/29/44/70/1188294470.db2.gz XRJKCVHAMZJJKB-XJKCOSOUSA-N 2 2 364.494 0.549 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536028 1188346791 /nfs/dbraw/zinc/34/67/91/1188346791.db2.gz MTHARWSUAQRZTB-KXBFYZLASA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3noc(C4CC4)n3)C2)O1 ZINC000984012548 1189372639 /nfs/dbraw/zinc/37/26/39/1189372639.db2.gz HAJQGBYQUNCKKF-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3noc(C4CC4)n3)C2)O1 ZINC000984012548 1189372642 /nfs/dbraw/zinc/37/26/42/1189372642.db2.gz HAJQGBYQUNCKKF-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087602575 1189652760 /nfs/dbraw/zinc/65/27/60/1189652760.db2.gz VBHXQVJELRHQLA-XHSDSOJGSA-N 2 2 359.474 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CC(=O)N1CCC1 ZINC001087602575 1189652773 /nfs/dbraw/zinc/65/27/73/1189652773.db2.gz VBHXQVJELRHQLA-XHSDSOJGSA-N 2 2 359.474 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087628894 1189672763 /nfs/dbraw/zinc/67/27/63/1189672763.db2.gz RDZRLJBWJKQIGC-RRQGHBQHSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087628894 1189672772 /nfs/dbraw/zinc/67/27/72/1189672772.db2.gz RDZRLJBWJKQIGC-RRQGHBQHSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCn1cncn1 ZINC001087631311 1189681648 /nfs/dbraw/zinc/68/16/48/1189681648.db2.gz UTIXAXUKFJPLLN-HYVNUMGLSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCn1cncn1 ZINC001087631311 1189681652 /nfs/dbraw/zinc/68/16/52/1189681652.db2.gz UTIXAXUKFJPLLN-HYVNUMGLSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1nccn1C ZINC001087700654 1189783496 /nfs/dbraw/zinc/78/34/96/1189783496.db2.gz SNQMYOQCIZPQMA-GVDBMIGSSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1nccn1C ZINC001087700654 1189783512 /nfs/dbraw/zinc/78/35/12/1189783512.db2.gz SNQMYOQCIZPQMA-GVDBMIGSSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1nccn1C ZINC001087700654 1189783541 /nfs/dbraw/zinc/78/35/41/1189783541.db2.gz SNQMYOQCIZPQMA-GVDBMIGSSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1nccn1C ZINC001087700654 1189783549 /nfs/dbraw/zinc/78/35/49/1189783549.db2.gz SNQMYOQCIZPQMA-GVDBMIGSSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087732057 1189805673 /nfs/dbraw/zinc/80/56/73/1189805673.db2.gz ZBIFYKVZPANZRN-LVQVYYBASA-N 2 2 359.474 0.771 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CC(=O)NC1CC1 ZINC001087732057 1189805674 /nfs/dbraw/zinc/80/56/74/1189805674.db2.gz ZBIFYKVZPANZRN-LVQVYYBASA-N 2 2 359.474 0.771 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001075818931 1189818507 /nfs/dbraw/zinc/81/85/07/1189818507.db2.gz NXWVXJTYGOJALH-IJEWVQPXSA-N 2 2 359.474 0.429 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001075818931 1189818510 /nfs/dbraw/zinc/81/85/10/1189818510.db2.gz NXWVXJTYGOJALH-IJEWVQPXSA-N 2 2 359.474 0.429 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075819710 1189826003 /nfs/dbraw/zinc/82/60/03/1189826003.db2.gz ABAPOMIKCZHYMA-NUEKZKHPSA-N 2 2 357.458 0.183 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001075819710 1189826005 /nfs/dbraw/zinc/82/60/05/1189826005.db2.gz ABAPOMIKCZHYMA-NUEKZKHPSA-N 2 2 357.458 0.183 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cnnn1CC ZINC001087837090 1189846046 /nfs/dbraw/zinc/84/60/46/1189846046.db2.gz SXWRPRJMZLATFM-GVDBMIGSSA-N 2 2 364.494 0.488 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cnnn1CC ZINC001087837090 1189846047 /nfs/dbraw/zinc/84/60/47/1189846047.db2.gz SXWRPRJMZLATFM-GVDBMIGSSA-N 2 2 364.494 0.488 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cnnn1CC ZINC001087837090 1189846048 /nfs/dbraw/zinc/84/60/48/1189846048.db2.gz SXWRPRJMZLATFM-GVDBMIGSSA-N 2 2 364.494 0.488 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cnnn1CC ZINC001087837090 1189846051 /nfs/dbraw/zinc/84/60/51/1189846051.db2.gz SXWRPRJMZLATFM-GVDBMIGSSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908781 1189893729 /nfs/dbraw/zinc/89/37/29/1189893729.db2.gz NESKMLNIEGJJHM-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908781 1189893732 /nfs/dbraw/zinc/89/37/32/1189893732.db2.gz NESKMLNIEGJJHM-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908781 1189893735 /nfs/dbraw/zinc/89/37/35/1189893735.db2.gz NESKMLNIEGJJHM-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908781 1189893737 /nfs/dbraw/zinc/89/37/37/1189893737.db2.gz NESKMLNIEGJJHM-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920112 1189905212 /nfs/dbraw/zinc/90/52/12/1189905212.db2.gz FCVNSKLDPWQBGW-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920112 1189905217 /nfs/dbraw/zinc/90/52/17/1189905217.db2.gz FCVNSKLDPWQBGW-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920112 1189905226 /nfs/dbraw/zinc/90/52/26/1189905226.db2.gz FCVNSKLDPWQBGW-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920112 1189905232 /nfs/dbraw/zinc/90/52/32/1189905232.db2.gz FCVNSKLDPWQBGW-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920710 1189907188 /nfs/dbraw/zinc/90/71/88/1189907188.db2.gz YEVUGTFBWPLPNW-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920710 1189907191 /nfs/dbraw/zinc/90/71/91/1189907191.db2.gz YEVUGTFBWPLPNW-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920710 1189907193 /nfs/dbraw/zinc/90/71/93/1189907193.db2.gz YEVUGTFBWPLPNW-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920710 1189907199 /nfs/dbraw/zinc/90/71/99/1189907199.db2.gz YEVUGTFBWPLPNW-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087951388 1189981096 /nfs/dbraw/zinc/98/10/96/1189981096.db2.gz QGWFHBLOUYYJPP-ZNMIVQPWSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087951388 1189981099 /nfs/dbraw/zinc/98/10/99/1189981099.db2.gz QGWFHBLOUYYJPP-ZNMIVQPWSA-N 2 2 359.474 0.790 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001087973043 1190033972 /nfs/dbraw/zinc/03/39/72/1190033972.db2.gz HCIWVLKNAXPBEA-CABCVRRESA-N 2 2 359.474 0.288 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001087973043 1190033979 /nfs/dbraw/zinc/03/39/79/1190033979.db2.gz HCIWVLKNAXPBEA-CABCVRRESA-N 2 2 359.474 0.288 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993342 1190144087 /nfs/dbraw/zinc/14/40/87/1190144087.db2.gz LBDALQBLVZXXAL-SOLBZPMBSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993342 1190144092 /nfs/dbraw/zinc/14/40/92/1190144092.db2.gz LBDALQBLVZXXAL-SOLBZPMBSA-N 2 2 360.506 0.919 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088000741 1190171694 /nfs/dbraw/zinc/17/16/94/1190171694.db2.gz ZKZCMSNFCKABAQ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088000741 1190171697 /nfs/dbraw/zinc/17/16/97/1190171697.db2.gz ZKZCMSNFCKABAQ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088000741 1190171701 /nfs/dbraw/zinc/17/17/01/1190171701.db2.gz ZKZCMSNFCKABAQ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088000741 1190171705 /nfs/dbraw/zinc/17/17/05/1190171705.db2.gz ZKZCMSNFCKABAQ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088018873 1190231376 /nfs/dbraw/zinc/23/13/76/1190231376.db2.gz OJYNFXGOPXPPKM-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088018873 1190231388 /nfs/dbraw/zinc/23/13/88/1190231388.db2.gz OJYNFXGOPXPPKM-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088018804 1190231430 /nfs/dbraw/zinc/23/14/30/1190231430.db2.gz LVRGWXNFNKOJBJ-XHSDSOJGSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088018804 1190231434 /nfs/dbraw/zinc/23/14/34/1190231434.db2.gz LVRGWXNFNKOJBJ-XHSDSOJGSA-N 2 2 359.474 0.314 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124453 1190618547 /nfs/dbraw/zinc/61/85/47/1190618547.db2.gz MTYHRDPPZNRMDV-OAGGEKHMSA-N 2 2 357.462 0.943 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124453 1190618558 /nfs/dbraw/zinc/61/85/58/1190618558.db2.gz MTYHRDPPZNRMDV-OAGGEKHMSA-N 2 2 357.462 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000985140181 1190627832 /nfs/dbraw/zinc/62/78/32/1190627832.db2.gz OZUMVUYDKXCTSY-XHSDSOJGSA-N 2 2 363.462 0.018 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000985140181 1190627838 /nfs/dbraw/zinc/62/78/38/1190627838.db2.gz OZUMVUYDKXCTSY-XHSDSOJGSA-N 2 2 363.462 0.018 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000897342554 1190715115 /nfs/dbraw/zinc/71/51/15/1190715115.db2.gz VEAMDKFIEINFPH-KRWDZBQOSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)O1 ZINC001088334373 1190748942 /nfs/dbraw/zinc/74/89/42/1190748942.db2.gz GUDANQZREVOJSP-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)O1 ZINC001088334373 1190748945 /nfs/dbraw/zinc/74/89/45/1190748945.db2.gz GUDANQZREVOJSP-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cnn(C)n3)C2)O1 ZINC001088334578 1190749537 /nfs/dbraw/zinc/74/95/37/1190749537.db2.gz LIYSPPKGJWXZKE-HLLBOEOZSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cnn(C)n3)C2)O1 ZINC001088334578 1190749543 /nfs/dbraw/zinc/74/95/43/1190749543.db2.gz LIYSPPKGJWXZKE-HLLBOEOZSA-N 2 2 364.494 0.395 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001088335010 1190750773 /nfs/dbraw/zinc/75/07/73/1190750773.db2.gz UJMLOTWYLNCDGV-VNQPRFMTSA-N 2 2 364.494 0.693 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001088335010 1190750776 /nfs/dbraw/zinc/75/07/76/1190750776.db2.gz UJMLOTWYLNCDGV-VNQPRFMTSA-N 2 2 364.494 0.693 20 0 FCADLP O=C(C[NH+]1CCC2(CCC(=O)N(CCn3cc[nH+]c3)C2)CC1)NC1CC1 ZINC001276756013 1224107698 /nfs/dbraw/zinc/10/76/98/1224107698.db2.gz FCKPWHRQQFWBGX-UHFFFAOYSA-N 2 2 359.474 0.866 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(CCCCCC(N)=O)C(=O)CO3)CC1 ZINC001276756837 1224109748 /nfs/dbraw/zinc/10/97/48/1224109748.db2.gz FZERJEINPUXITB-IBGZPJMESA-N 2 2 366.506 0.430 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(CCCCCC(N)=O)C(=O)CO3)CC1 ZINC001276756837 1224109752 /nfs/dbraw/zinc/10/97/52/1224109752.db2.gz FZERJEINPUXITB-IBGZPJMESA-N 2 2 366.506 0.430 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C)cn1 ZINC001088574525 1191213339 /nfs/dbraw/zinc/21/33/39/1191213339.db2.gz AECSHRLXLSWBBF-WBVHZDCISA-N 2 2 371.489 0.936 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C)cn1 ZINC001088574525 1191213340 /nfs/dbraw/zinc/21/33/40/1191213340.db2.gz AECSHRLXLSWBBF-WBVHZDCISA-N 2 2 371.489 0.936 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218187095 1224146594 /nfs/dbraw/zinc/14/65/94/1224146594.db2.gz DBIGNUWAXGEJPJ-YESZJQIVSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218187095 1224146595 /nfs/dbraw/zinc/14/65/95/1224146595.db2.gz DBIGNUWAXGEJPJ-YESZJQIVSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218180876 1224146016 /nfs/dbraw/zinc/14/60/16/1224146016.db2.gz QATXUSYUVCGRGX-BPQIPLTHSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218180876 1224146017 /nfs/dbraw/zinc/14/60/17/1224146017.db2.gz QATXUSYUVCGRGX-BPQIPLTHSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213135 1224147418 /nfs/dbraw/zinc/14/74/18/1224147418.db2.gz BNRTXIQYHKLKII-DLBZAZTESA-N 2 2 366.462 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213135 1224147419 /nfs/dbraw/zinc/14/74/19/1224147419.db2.gz BNRTXIQYHKLKII-DLBZAZTESA-N 2 2 366.462 0.688 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550668264 1193731449 /nfs/dbraw/zinc/73/14/49/1193731449.db2.gz MSJBPYMOGXDQMQ-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550668264 1193731453 /nfs/dbraw/zinc/73/14/53/1193731453.db2.gz MSJBPYMOGXDQMQ-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758532 1193761703 /nfs/dbraw/zinc/76/17/03/1193761703.db2.gz VOHDGOLRWLNSBA-WBVHZDCISA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758532 1193761705 /nfs/dbraw/zinc/76/17/05/1193761705.db2.gz VOHDGOLRWLNSBA-WBVHZDCISA-N 2 2 368.522 0.448 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527316 1224166914 /nfs/dbraw/zinc/16/69/14/1224166914.db2.gz DTZDUWZCXNDXHF-LUKYLMHMSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527316 1224166921 /nfs/dbraw/zinc/16/69/21/1224166921.db2.gz DTZDUWZCXNDXHF-LUKYLMHMSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527316 1224166924 /nfs/dbraw/zinc/16/69/24/1224166924.db2.gz DTZDUWZCXNDXHF-LUKYLMHMSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527316 1224166929 /nfs/dbraw/zinc/16/69/29/1224166929.db2.gz DTZDUWZCXNDXHF-LUKYLMHMSA-N 2 2 366.506 0.107 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1)NC1CC1 ZINC001691602349 1193791709 /nfs/dbraw/zinc/79/17/09/1193791709.db2.gz ZNHFYBHZRGENEY-OFQRWUPVSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165818 1193838236 /nfs/dbraw/zinc/83/82/36/1193838236.db2.gz IINQEDGWFONTSU-HOTGVXAUSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165818 1193838239 /nfs/dbraw/zinc/83/82/39/1193838239.db2.gz IINQEDGWFONTSU-HOTGVXAUSA-N 2 2 361.490 0.942 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550723 1224171479 /nfs/dbraw/zinc/17/14/79/1224171479.db2.gz LEIRWKUQYGZTAL-OWCLPIDISA-N 2 2 366.506 0.284 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550723 1224171482 /nfs/dbraw/zinc/17/14/82/1224171482.db2.gz LEIRWKUQYGZTAL-OWCLPIDISA-N 2 2 366.506 0.284 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550703 1224171777 /nfs/dbraw/zinc/17/17/77/1224171777.db2.gz KGSLROICZZEHKZ-HRCADAONSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550703 1224171778 /nfs/dbraw/zinc/17/17/78/1224171778.db2.gz KGSLROICZZEHKZ-HRCADAONSA-N 2 2 366.506 0.155 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105654839 1193859313 /nfs/dbraw/zinc/85/93/13/1193859313.db2.gz BUWUFVDWDLZMGD-ZAWLATJESA-N 2 2 364.490 0.955 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965746 1193885636 /nfs/dbraw/zinc/88/56/36/1193885636.db2.gz BQMDOUZTAZYWQP-XYJFISCASA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965746 1193885637 /nfs/dbraw/zinc/88/56/37/1193885637.db2.gz BQMDOUZTAZYWQP-XYJFISCASA-N 2 2 368.485 0.954 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21)[NH+](CC)CC ZINC001218623806 1224184581 /nfs/dbraw/zinc/18/45/81/1224184581.db2.gz IHTYIADHVPRLCM-FGTMMUONSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21)[NH+](CC)CC ZINC001218624359 1224184680 /nfs/dbraw/zinc/18/46/80/1224184680.db2.gz NTTJYJUUMKPIKQ-FGTMMUONSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21)[NH+](CC)CC ZINC001218624359 1224184683 /nfs/dbraw/zinc/18/46/83/1224184683.db2.gz NTTJYJUUMKPIKQ-FGTMMUONSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553343938 1193990254 /nfs/dbraw/zinc/99/02/54/1193990254.db2.gz ZPRCXNHIPFJTCM-DOTOQJQBSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553343938 1193990259 /nfs/dbraw/zinc/99/02/59/1193990259.db2.gz ZPRCXNHIPFJTCM-DOTOQJQBSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645871 1224189704 /nfs/dbraw/zinc/18/97/04/1224189704.db2.gz LFVQDWWCHSKYPE-HRCADAONSA-N 2 2 368.522 0.353 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645871 1224189708 /nfs/dbraw/zinc/18/97/08/1224189708.db2.gz LFVQDWWCHSKYPE-HRCADAONSA-N 2 2 368.522 0.353 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645871 1224189711 /nfs/dbraw/zinc/18/97/11/1224189711.db2.gz LFVQDWWCHSKYPE-HRCADAONSA-N 2 2 368.522 0.353 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645871 1224189715 /nfs/dbraw/zinc/18/97/15/1224189715.db2.gz LFVQDWWCHSKYPE-HRCADAONSA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645568 1224190007 /nfs/dbraw/zinc/19/00/07/1224190007.db2.gz JDGCCDNYGOTEFN-YTQUADARSA-N 2 2 361.486 0.453 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645568 1224190011 /nfs/dbraw/zinc/19/00/11/1224190011.db2.gz JDGCCDNYGOTEFN-YTQUADARSA-N 2 2 361.486 0.453 20 0 FCADLP C[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645568 1224190016 /nfs/dbraw/zinc/19/00/16/1224190016.db2.gz JDGCCDNYGOTEFN-YTQUADARSA-N 2 2 361.486 0.453 20 0 FCADLP C[C@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645568 1224190019 /nfs/dbraw/zinc/19/00/19/1224190019.db2.gz JDGCCDNYGOTEFN-YTQUADARSA-N 2 2 361.486 0.453 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000842194805 1194087562 /nfs/dbraw/zinc/08/75/62/1194087562.db2.gz ZCOLEBVLAITBNG-SFHVURJKSA-N 2 2 373.501 0.691 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815400 1194108039 /nfs/dbraw/zinc/10/80/39/1194108039.db2.gz NPJWCTNAQZURKK-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815400 1194108042 /nfs/dbraw/zinc/10/80/42/1194108042.db2.gz NPJWCTNAQZURKK-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815400 1194108049 /nfs/dbraw/zinc/10/80/49/1194108049.db2.gz NPJWCTNAQZURKK-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815400 1194108051 /nfs/dbraw/zinc/10/80/51/1194108051.db2.gz NPJWCTNAQZURKK-BPQIPLTHSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815548 1194110541 /nfs/dbraw/zinc/11/05/41/1194110541.db2.gz VEBHUXFYJVKQPX-RYRKJORJSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815548 1194110545 /nfs/dbraw/zinc/11/05/45/1194110545.db2.gz VEBHUXFYJVKQPX-RYRKJORJSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815548 1194110549 /nfs/dbraw/zinc/11/05/49/1194110549.db2.gz VEBHUXFYJVKQPX-RYRKJORJSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815548 1194110553 /nfs/dbraw/zinc/11/05/53/1194110553.db2.gz VEBHUXFYJVKQPX-RYRKJORJSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815487 1194110681 /nfs/dbraw/zinc/11/06/81/1194110681.db2.gz RKODVHKOSBHNAN-FHLIZLRMSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815487 1194110683 /nfs/dbraw/zinc/11/06/83/1194110683.db2.gz RKODVHKOSBHNAN-FHLIZLRMSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815487 1194110685 /nfs/dbraw/zinc/11/06/85/1194110685.db2.gz RKODVHKOSBHNAN-FHLIZLRMSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815487 1194110687 /nfs/dbraw/zinc/11/06/87/1194110687.db2.gz RKODVHKOSBHNAN-FHLIZLRMSA-N 2 2 361.490 0.973 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@H](C3)O4)cc2)CC1 ZINC001272245591 1194191948 /nfs/dbraw/zinc/19/19/48/1194191948.db2.gz YCXDTPIKXHYNHW-KDURUIRLSA-N 2 2 358.486 0.984 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@H](C3)O4)cc2)CC1 ZINC001272245591 1194191957 /nfs/dbraw/zinc/19/19/57/1194191957.db2.gz YCXDTPIKXHYNHW-KDURUIRLSA-N 2 2 358.486 0.984 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029027 1194254160 /nfs/dbraw/zinc/25/41/60/1194254160.db2.gz DFXPIEBXYGPPNQ-IAOVAPTHSA-N 2 2 368.441 0.678 20 0 FCADLP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001076070352 1194291999 /nfs/dbraw/zinc/29/19/99/1194291999.db2.gz FMPCBWKRHIJSKA-BGBZDWQGSA-N 2 2 358.442 0.571 20 0 FCADLP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001076070352 1194292003 /nfs/dbraw/zinc/29/20/03/1194292003.db2.gz FMPCBWKRHIJSKA-BGBZDWQGSA-N 2 2 358.442 0.571 20 0 FCADLP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001076070352 1194292007 /nfs/dbraw/zinc/29/20/07/1194292007.db2.gz FMPCBWKRHIJSKA-BGBZDWQGSA-N 2 2 358.442 0.571 20 0 FCADLP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001076070352 1194292012 /nfs/dbraw/zinc/29/20/12/1194292012.db2.gz FMPCBWKRHIJSKA-BGBZDWQGSA-N 2 2 358.442 0.571 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001076078235 1194292575 /nfs/dbraw/zinc/29/25/75/1194292575.db2.gz TXZCKHXCWPWEQJ-DOTOQJQBSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001076078235 1194292578 /nfs/dbraw/zinc/29/25/78/1194292578.db2.gz TXZCKHXCWPWEQJ-DOTOQJQBSA-N 2 2 356.474 0.862 20 0 FCADLP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001218736329 1224207872 /nfs/dbraw/zinc/20/78/72/1224207872.db2.gz XBFITIGWDDRSQI-MDZRGWNJSA-N 2 2 374.489 0.610 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244348 1194371007 /nfs/dbraw/zinc/37/10/07/1194371007.db2.gz PKJUMFNSIDIGDR-SOLBZPMBSA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244348 1194371012 /nfs/dbraw/zinc/37/10/12/1194371012.db2.gz PKJUMFNSIDIGDR-SOLBZPMBSA-N 2 2 371.485 0.519 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076262626 1194379382 /nfs/dbraw/zinc/37/93/82/1194379382.db2.gz NITXIKFMGICUNS-KLZNWCGWSA-N 2 2 355.446 0.348 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076262626 1194379385 /nfs/dbraw/zinc/37/93/85/1194379385.db2.gz NITXIKFMGICUNS-KLZNWCGWSA-N 2 2 355.446 0.348 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cn1 ZINC001076362080 1194417636 /nfs/dbraw/zinc/41/76/36/1194417636.db2.gz ZPDGZNCERDKHEQ-FUHWJXTLSA-N 2 2 359.474 0.540 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cn1 ZINC001076362080 1194417640 /nfs/dbraw/zinc/41/76/40/1194417640.db2.gz ZPDGZNCERDKHEQ-FUHWJXTLSA-N 2 2 359.474 0.540 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504623 1194529180 /nfs/dbraw/zinc/52/91/80/1194529180.db2.gz IZRWKNJNJBXQBQ-BMGDILEWSA-N 2 2 371.485 0.947 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504623 1194529184 /nfs/dbraw/zinc/52/91/84/1194529184.db2.gz IZRWKNJNJBXQBQ-BMGDILEWSA-N 2 2 371.485 0.947 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076504937 1194529767 /nfs/dbraw/zinc/52/97/67/1194529767.db2.gz ZLGVOYSETUTPPH-DOTOQJQBSA-N 2 2 359.474 0.806 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076504937 1194529774 /nfs/dbraw/zinc/52/97/74/1194529774.db2.gz ZLGVOYSETUTPPH-DOTOQJQBSA-N 2 2 359.474 0.806 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1=O ZINC001076571385 1194576443 /nfs/dbraw/zinc/57/64/43/1194576443.db2.gz HVVPWKHCTCPUAA-GOEBONIOSA-N 2 2 361.442 0.777 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1=O ZINC001076571385 1194576448 /nfs/dbraw/zinc/57/64/48/1194576448.db2.gz HVVPWKHCTCPUAA-GOEBONIOSA-N 2 2 361.442 0.777 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576420 1194583045 /nfs/dbraw/zinc/58/30/45/1194583045.db2.gz KCURIWLZTOJBNX-BHYGNILZSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576420 1194583051 /nfs/dbraw/zinc/58/30/51/1194583051.db2.gz KCURIWLZTOJBNX-BHYGNILZSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594414 1194586892 /nfs/dbraw/zinc/58/68/92/1194586892.db2.gz NFBPRVYADYDPTJ-KSZLIROESA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594414 1194586898 /nfs/dbraw/zinc/58/68/98/1194586898.db2.gz NFBPRVYADYDPTJ-KSZLIROESA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594414 1194586903 /nfs/dbraw/zinc/58/69/03/1194586903.db2.gz NFBPRVYADYDPTJ-KSZLIROESA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]32)C1 ZINC001076594414 1194586907 /nfs/dbraw/zinc/58/69/07/1194586907.db2.gz NFBPRVYADYDPTJ-KSZLIROESA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593895 1194587404 /nfs/dbraw/zinc/58/74/04/1194587404.db2.gz BSABDCBAISLZTF-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593895 1194587407 /nfs/dbraw/zinc/58/74/07/1194587407.db2.gz BSABDCBAISLZTF-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593895 1194587410 /nfs/dbraw/zinc/58/74/10/1194587410.db2.gz BSABDCBAISLZTF-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593895 1194587413 /nfs/dbraw/zinc/58/74/13/1194587413.db2.gz BSABDCBAISLZTF-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837370 1195043835 /nfs/dbraw/zinc/04/38/35/1195043835.db2.gz YBZZROLWZNQUSV-KURKYZTESA-N 2 2 365.449 0.250 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837370 1195043838 /nfs/dbraw/zinc/04/38/38/1195043838.db2.gz YBZZROLWZNQUSV-KURKYZTESA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837370 1195043841 /nfs/dbraw/zinc/04/38/41/1195043841.db2.gz YBZZROLWZNQUSV-KURKYZTESA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837370 1195043843 /nfs/dbraw/zinc/04/38/43/1195043843.db2.gz YBZZROLWZNQUSV-KURKYZTESA-N 2 2 365.449 0.250 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838954 1195044325 /nfs/dbraw/zinc/04/43/25/1195044325.db2.gz UIEXWQNDFHRKEP-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838954 1195044330 /nfs/dbraw/zinc/04/43/30/1195044330.db2.gz UIEXWQNDFHRKEP-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838954 1195044334 /nfs/dbraw/zinc/04/43/34/1195044334.db2.gz UIEXWQNDFHRKEP-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@H]2O)C1 ZINC001076838954 1195044338 /nfs/dbraw/zinc/04/43/38/1195044338.db2.gz UIEXWQNDFHRKEP-AQNXPRMDSA-N 2 2 369.465 0.832 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076837428 1195044633 /nfs/dbraw/zinc/04/46/33/1195044633.db2.gz ZKXQOFNVLIZTBP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076837428 1195044638 /nfs/dbraw/zinc/04/46/38/1195044638.db2.gz ZKXQOFNVLIZTBP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076837428 1195044640 /nfs/dbraw/zinc/04/46/40/1195044640.db2.gz ZKXQOFNVLIZTBP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076837428 1195044643 /nfs/dbraw/zinc/04/46/43/1195044643.db2.gz ZKXQOFNVLIZTBP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077002711 1195137286 /nfs/dbraw/zinc/13/72/86/1195137286.db2.gz DNAMYSAAKKSGSP-BRWVUGGUSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077002711 1195137300 /nfs/dbraw/zinc/13/73/00/1195137300.db2.gz DNAMYSAAKKSGSP-BRWVUGGUSA-N 2 2 362.474 0.549 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ccn1 ZINC001077007413 1195142921 /nfs/dbraw/zinc/14/29/21/1195142921.db2.gz MDBUIICCFQYGDS-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ccn1 ZINC001077007413 1195142925 /nfs/dbraw/zinc/14/29/25/1195142925.db2.gz MDBUIICCFQYGDS-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@H]2O)CC[N@@H+]1C ZINC001077026800 1195156542 /nfs/dbraw/zinc/15/65/42/1195156542.db2.gz LAVVXVVRCXQASS-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@H]2O)CC[N@H+]1C ZINC001077026800 1195156551 /nfs/dbraw/zinc/15/65/51/1195156551.db2.gz LAVVXVVRCXQASS-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]2O)CC[NH+]1C ZINC001077026800 1195156559 /nfs/dbraw/zinc/15/65/59/1195156559.db2.gz LAVVXVVRCXQASS-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@H]2O)CC[NH+]1C ZINC001077026800 1195156567 /nfs/dbraw/zinc/15/65/67/1195156567.db2.gz LAVVXVVRCXQASS-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)o1 ZINC001077027818 1195157530 /nfs/dbraw/zinc/15/75/30/1195157530.db2.gz QQCUGBSEJXXXIE-ZJIFWQFVSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)o1 ZINC001077027818 1195157539 /nfs/dbraw/zinc/15/75/39/1195157539.db2.gz QQCUGBSEJXXXIE-ZJIFWQFVSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)o1 ZINC001077027818 1195157547 /nfs/dbraw/zinc/15/75/47/1195157547.db2.gz QQCUGBSEJXXXIE-ZJIFWQFVSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)o1 ZINC001077027818 1195157555 /nfs/dbraw/zinc/15/75/55/1195157555.db2.gz QQCUGBSEJXXXIE-ZJIFWQFVSA-N 2 2 364.490 0.937 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)O1 ZINC001083565253 1195260738 /nfs/dbraw/zinc/26/07/38/1195260738.db2.gz JCPBIAZVLAOOSD-CODKJTEISA-N 2 2 372.469 0.548 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)O1 ZINC001083565253 1195260743 /nfs/dbraw/zinc/26/07/43/1195260743.db2.gz JCPBIAZVLAOOSD-CODKJTEISA-N 2 2 372.469 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)O1 ZINC001083565253 1195260752 /nfs/dbraw/zinc/26/07/52/1195260752.db2.gz JCPBIAZVLAOOSD-CODKJTEISA-N 2 2 372.469 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)O1 ZINC001083565253 1195260757 /nfs/dbraw/zinc/26/07/57/1195260757.db2.gz JCPBIAZVLAOOSD-CODKJTEISA-N 2 2 372.469 0.548 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)O1 ZINC001083565405 1195267732 /nfs/dbraw/zinc/26/77/32/1195267732.db2.gz QNSBSMAZHYXWAH-PPRPKMEESA-N 2 2 373.497 0.944 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)O1 ZINC001083565405 1195267740 /nfs/dbraw/zinc/26/77/40/1195267740.db2.gz QNSBSMAZHYXWAH-PPRPKMEESA-N 2 2 373.497 0.944 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)O1 ZINC001083565405 1195267747 /nfs/dbraw/zinc/26/77/47/1195267747.db2.gz QNSBSMAZHYXWAH-PPRPKMEESA-N 2 2 373.497 0.944 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)O1 ZINC001083565405 1195267751 /nfs/dbraw/zinc/26/77/51/1195267751.db2.gz QNSBSMAZHYXWAH-PPRPKMEESA-N 2 2 373.497 0.944 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CCCn1cc[nH+]c1 ZINC001077147781 1195269468 /nfs/dbraw/zinc/26/94/68/1195269468.db2.gz GZOLBZJFTQULHI-ARFHVFGLSA-N 2 2 365.478 0.393 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CCCn1cc[nH+]c1 ZINC001077147781 1195269473 /nfs/dbraw/zinc/26/94/73/1195269473.db2.gz GZOLBZJFTQULHI-ARFHVFGLSA-N 2 2 365.478 0.393 20 0 FCADLP Cc1cc(F)ccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566676 1195292560 /nfs/dbraw/zinc/29/25/60/1195292560.db2.gz WMWQJQUBMFVFOX-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cc(F)ccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566676 1195292564 /nfs/dbraw/zinc/29/25/64/1195292564.db2.gz WMWQJQUBMFVFOX-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566676 1195292569 /nfs/dbraw/zinc/29/25/69/1195292569.db2.gz WMWQJQUBMFVFOX-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566676 1195292575 /nfs/dbraw/zinc/29/25/75/1195292575.db2.gz WMWQJQUBMFVFOX-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2O)c[nH+]1 ZINC001077209345 1195322765 /nfs/dbraw/zinc/32/27/65/1195322765.db2.gz CIFARTQFEJCEBB-HZPDHXFCSA-N 2 2 360.462 0.064 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2O)c[nH+]1 ZINC001077209345 1195322768 /nfs/dbraw/zinc/32/27/68/1195322768.db2.gz CIFARTQFEJCEBB-HZPDHXFCSA-N 2 2 360.462 0.064 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233148 1195342094 /nfs/dbraw/zinc/34/20/94/1195342094.db2.gz LJAURQYTCBOSRM-IAGOWNOFSA-N 2 2 354.414 0.314 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233148 1195342100 /nfs/dbraw/zinc/34/21/00/1195342100.db2.gz LJAURQYTCBOSRM-IAGOWNOFSA-N 2 2 354.414 0.314 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275883 1195377218 /nfs/dbraw/zinc/37/72/18/1195377218.db2.gz AQPUWHPJYUURKP-IXDOHACOSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275883 1195377225 /nfs/dbraw/zinc/37/72/25/1195377225.db2.gz AQPUWHPJYUURKP-IXDOHACOSA-N 2 2 371.441 0.038 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308561 1195409128 /nfs/dbraw/zinc/40/91/28/1195409128.db2.gz AAMVEXGOVUKIEE-RBSFLKMASA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308561 1195409134 /nfs/dbraw/zinc/40/91/34/1195409134.db2.gz AAMVEXGOVUKIEE-RBSFLKMASA-N 2 2 366.368 0.533 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cn1 ZINC001077312010 1195413953 /nfs/dbraw/zinc/41/39/53/1195413953.db2.gz JGZZVDACAVKKPD-QZTJIDSGSA-N 2 2 368.441 0.568 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cn1 ZINC001077312010 1195413960 /nfs/dbraw/zinc/41/39/60/1195413960.db2.gz JGZZVDACAVKKPD-QZTJIDSGSA-N 2 2 368.441 0.568 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001077311875 1195414697 /nfs/dbraw/zinc/41/46/97/1195414697.db2.gz CILINZFBQUFSPY-IAGOWNOFSA-N 2 2 369.429 0.018 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001077311875 1195414705 /nfs/dbraw/zinc/41/47/05/1195414705.db2.gz CILINZFBQUFSPY-IAGOWNOFSA-N 2 2 369.429 0.018 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001077395035 1195491538 /nfs/dbraw/zinc/49/15/38/1195491538.db2.gz PWWFTBNCMJBSBO-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001077395035 1195491539 /nfs/dbraw/zinc/49/15/39/1195491539.db2.gz PWWFTBNCMJBSBO-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003109 1224284181 /nfs/dbraw/zinc/28/41/81/1224284181.db2.gz UMYOEHVLGUCDSB-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003109 1224284187 /nfs/dbraw/zinc/28/41/87/1224284187.db2.gz UMYOEHVLGUCDSB-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001219003149 1224285392 /nfs/dbraw/zinc/28/53/92/1224285392.db2.gz WNQUDGBYTFACOP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001219003149 1224285398 /nfs/dbraw/zinc/28/53/98/1224285398.db2.gz WNQUDGBYTFACOP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001219003149 1224285406 /nfs/dbraw/zinc/28/54/06/1224285406.db2.gz WNQUDGBYTFACOP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001219003149 1224285417 /nfs/dbraw/zinc/28/54/17/1224285417.db2.gz WNQUDGBYTFACOP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)no1 ZINC000905446475 1195586246 /nfs/dbraw/zinc/58/62/46/1195586246.db2.gz HNNTZRUEHLEIRU-INIZCTEOSA-N 2 2 365.478 0.698 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)no1 ZINC001083590701 1195586572 /nfs/dbraw/zinc/58/65/72/1195586572.db2.gz RMOBBFNNGXDILC-XYPHTWIQSA-N 2 2 366.462 0.328 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)no1 ZINC001083590701 1195586580 /nfs/dbraw/zinc/58/65/80/1195586580.db2.gz RMOBBFNNGXDILC-XYPHTWIQSA-N 2 2 366.462 0.328 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)no1 ZINC001083590762 1195586684 /nfs/dbraw/zinc/58/66/84/1195586684.db2.gz UJCURBSPFBHZST-SJORKVTESA-N 2 2 366.462 0.328 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)no1 ZINC001083590762 1195586689 /nfs/dbraw/zinc/58/66/89/1195586689.db2.gz UJCURBSPFBHZST-SJORKVTESA-N 2 2 366.462 0.328 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591417 1195590299 /nfs/dbraw/zinc/59/02/99/1195590299.db2.gz BMPNHJKIMRIJJG-JLZZUVOBSA-N 2 2 371.441 0.085 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591417 1195590303 /nfs/dbraw/zinc/59/03/03/1195590303.db2.gz BMPNHJKIMRIJJG-JLZZUVOBSA-N 2 2 371.441 0.085 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cn1 ZINC001083607164 1195683905 /nfs/dbraw/zinc/68/39/05/1195683905.db2.gz JGZZVDACAVKKPD-MSOLQXFVSA-N 2 2 368.441 0.568 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cn1 ZINC001083607164 1195683911 /nfs/dbraw/zinc/68/39/11/1195683911.db2.gz JGZZVDACAVKKPD-MSOLQXFVSA-N 2 2 368.441 0.568 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910660676 1195829905 /nfs/dbraw/zinc/82/99/05/1195829905.db2.gz ICDGPBDGXCSRAY-HNNXBMFYSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910660676 1195829907 /nfs/dbraw/zinc/82/99/07/1195829907.db2.gz ICDGPBDGXCSRAY-HNNXBMFYSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910660676 1195829910 /nfs/dbraw/zinc/82/99/10/1195829910.db2.gz ICDGPBDGXCSRAY-HNNXBMFYSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910660676 1195829912 /nfs/dbraw/zinc/82/99/12/1195829912.db2.gz ICDGPBDGXCSRAY-HNNXBMFYSA-N 2 2 366.506 0.251 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911067206 1195885071 /nfs/dbraw/zinc/88/50/71/1195885071.db2.gz DRHLPUMZUQGFOW-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219049237 1224317667 /nfs/dbraw/zinc/31/76/67/1224317667.db2.gz FFEANUDOPRLOIY-ZWKOTPCHSA-N 2 2 361.490 0.708 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083647401 1196313823 /nfs/dbraw/zinc/31/38/23/1196313823.db2.gz ATOMXBRLCIABMT-ZBFHGGJFSA-N 2 2 368.428 0.969 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083647401 1196313827 /nfs/dbraw/zinc/31/38/27/1196313827.db2.gz ATOMXBRLCIABMT-ZBFHGGJFSA-N 2 2 368.428 0.969 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357504 1196320538 /nfs/dbraw/zinc/32/05/38/1196320538.db2.gz FYEGTVUKYZTLNA-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357504 1196320544 /nfs/dbraw/zinc/32/05/44/1196320544.db2.gz FYEGTVUKYZTLNA-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357504 1196320548 /nfs/dbraw/zinc/32/05/48/1196320548.db2.gz FYEGTVUKYZTLNA-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357504 1196320554 /nfs/dbraw/zinc/32/05/54/1196320554.db2.gz FYEGTVUKYZTLNA-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363417 1196325427 /nfs/dbraw/zinc/32/54/27/1196325427.db2.gz XCRIIQIBFDEECI-ZIGSKRJUSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363417 1196325431 /nfs/dbraw/zinc/32/54/31/1196325431.db2.gz XCRIIQIBFDEECI-ZIGSKRJUSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363417 1196325434 /nfs/dbraw/zinc/32/54/34/1196325434.db2.gz XCRIIQIBFDEECI-ZIGSKRJUSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363417 1196325438 /nfs/dbraw/zinc/32/54/38/1196325438.db2.gz XCRIIQIBFDEECI-ZIGSKRJUSA-N 2 2 364.490 0.097 20 0 FCADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001083661785 1196372095 /nfs/dbraw/zinc/37/20/95/1196372095.db2.gz NFWFLWDNDIKBDU-BDXSIMOUSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001083661785 1196372098 /nfs/dbraw/zinc/37/20/98/1196372098.db2.gz NFWFLWDNDIKBDU-BDXSIMOUSA-N 2 2 369.506 0.074 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668384 1196391203 /nfs/dbraw/zinc/39/12/03/1196391203.db2.gz OKXDUHIZGNCSMN-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668384 1196391209 /nfs/dbraw/zinc/39/12/09/1196391209.db2.gz OKXDUHIZGNCSMN-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP CCO[C@@H]1C[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082992 1196538855 /nfs/dbraw/zinc/53/88/55/1196538855.db2.gz YNVLCQYSMTVJLL-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000592128114 1196539587 /nfs/dbraw/zinc/53/95/87/1196539587.db2.gz MMUHFQJDOJNBLS-OWCLPIDISA-N 2 2 360.458 0.860 20 0 FCADLP COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000592128114 1196539591 /nfs/dbraw/zinc/53/95/91/1196539591.db2.gz MMUHFQJDOJNBLS-OWCLPIDISA-N 2 2 360.458 0.860 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+]1CCN1CCNC1=O ZINC001088849044 1196792435 /nfs/dbraw/zinc/79/24/35/1196792435.db2.gz BUSMHRBZWYNDKJ-RDBSUJKOSA-N 2 2 360.462 0.434 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@H+]1CCN1CCNC1=O ZINC001088849044 1196792442 /nfs/dbraw/zinc/79/24/42/1196792442.db2.gz BUSMHRBZWYNDKJ-RDBSUJKOSA-N 2 2 360.462 0.434 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@@H+]1CC(=O)N(C)C ZINC001088862596 1196807170 /nfs/dbraw/zinc/80/71/70/1196807170.db2.gz IIVFTHYJUBMKSG-HIFRSBDPSA-N 2 2 363.462 0.551 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@H+]1CC(=O)N(C)C ZINC001088862596 1196807174 /nfs/dbraw/zinc/80/71/74/1196807174.db2.gz IIVFTHYJUBMKSG-HIFRSBDPSA-N 2 2 363.462 0.551 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1Cc1cnnn1C ZINC001088945016 1196845073 /nfs/dbraw/zinc/84/50/73/1196845073.db2.gz LCUODDSZVRZAGY-DYVFJYSZSA-N 2 2 366.429 0.789 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1Cc1cnnn1C ZINC001088945016 1196845074 /nfs/dbraw/zinc/84/50/74/1196845074.db2.gz LCUODDSZVRZAGY-DYVFJYSZSA-N 2 2 366.429 0.789 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)CC[N@@H+]1C ZINC000992405831 1197090915 /nfs/dbraw/zinc/09/09/15/1197090915.db2.gz IQGUJOSVHQZBCH-VNQPRFMTSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)CC[N@H+]1C ZINC000992405831 1197090922 /nfs/dbraw/zinc/09/09/22/1197090922.db2.gz IQGUJOSVHQZBCH-VNQPRFMTSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC[N@@H+]1C ZINC000992406706 1197091825 /nfs/dbraw/zinc/09/18/25/1197091825.db2.gz LEFAMZQHHPBUIA-RRQGHBQHSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC[N@H+]1C ZINC000992406706 1197091828 /nfs/dbraw/zinc/09/18/28/1197091828.db2.gz LEFAMZQHHPBUIA-RRQGHBQHSA-N 2 2 359.474 0.503 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272541184 1197278193 /nfs/dbraw/zinc/27/81/93/1197278193.db2.gz VMJPFNBYJDOKBW-OAHLLOKOSA-N 2 2 357.458 0.497 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001272541170 1197278489 /nfs/dbraw/zinc/27/84/89/1197278489.db2.gz VDGZKGGNCAEJGL-OAHLLOKOSA-N 2 2 357.458 0.640 20 0 FCADLP C[C@@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000992959789 1197631285 /nfs/dbraw/zinc/63/12/85/1197631285.db2.gz LGBHHKJKTADFLR-QINHECLXSA-N 2 2 371.485 0.601 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001085242736 1197739791 /nfs/dbraw/zinc/73/97/91/1197739791.db2.gz FEDBRRXXXHHAFU-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001085242736 1197739804 /nfs/dbraw/zinc/73/98/04/1197739804.db2.gz FEDBRRXXXHHAFU-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001085253093 1197750697 /nfs/dbraw/zinc/75/06/97/1197750697.db2.gz WRQJJVAFXVUVDL-CHWSQXEVSA-N 2 2 362.438 0.091 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723697 1197756561 /nfs/dbraw/zinc/75/65/61/1197756561.db2.gz WRPXNSJLNJHCTD-CEXWTWQISA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723697 1197756572 /nfs/dbraw/zinc/75/65/72/1197756572.db2.gz WRPXNSJLNJHCTD-CEXWTWQISA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723697 1197756585 /nfs/dbraw/zinc/75/65/85/1197756585.db2.gz WRPXNSJLNJHCTD-CEXWTWQISA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723697 1197756592 /nfs/dbraw/zinc/75/65/92/1197756592.db2.gz WRPXNSJLNJHCTD-CEXWTWQISA-N 2 2 361.486 0.766 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)c1cccc2[nH+]ccn21 ZINC001085272315 1197776394 /nfs/dbraw/zinc/77/63/94/1197776394.db2.gz YLSAAUXKCXLXHF-MCIONIFRSA-N 2 2 369.425 0.770 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725721 1197809750 /nfs/dbraw/zinc/80/97/50/1197809750.db2.gz MNRSAVIMULRXJA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725721 1197809755 /nfs/dbraw/zinc/80/97/55/1197809755.db2.gz MNRSAVIMULRXJA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725721 1197809765 /nfs/dbraw/zinc/80/97/65/1197809765.db2.gz MNRSAVIMULRXJA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725721 1197809767 /nfs/dbraw/zinc/80/97/67/1197809767.db2.gz MNRSAVIMULRXJA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726051 1197811459 /nfs/dbraw/zinc/81/14/59/1197811459.db2.gz YIFDCEDTJFYCCM-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726051 1197811464 /nfs/dbraw/zinc/81/14/64/1197811464.db2.gz YIFDCEDTJFYCCM-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726051 1197811472 /nfs/dbraw/zinc/81/14/72/1197811472.db2.gz YIFDCEDTJFYCCM-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726051 1197811475 /nfs/dbraw/zinc/81/14/75/1197811475.db2.gz YIFDCEDTJFYCCM-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726927 1197829063 /nfs/dbraw/zinc/82/90/63/1197829063.db2.gz BFORUDFHRAKBFL-KYABYICQSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726927 1197829065 /nfs/dbraw/zinc/82/90/65/1197829065.db2.gz BFORUDFHRAKBFL-KYABYICQSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726927 1197829068 /nfs/dbraw/zinc/82/90/68/1197829068.db2.gz BFORUDFHRAKBFL-KYABYICQSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726927 1197829070 /nfs/dbraw/zinc/82/90/70/1197829070.db2.gz BFORUDFHRAKBFL-KYABYICQSA-N 2 2 364.490 0.937 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C1 ZINC000993136491 1197857444 /nfs/dbraw/zinc/85/74/44/1197857444.db2.gz SDEODNDDKRYJLR-UHFFFAOYSA-N 2 2 370.457 0.704 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085391820 1197860793 /nfs/dbraw/zinc/86/07/93/1197860793.db2.gz XAHGZXZRXYMLOJ-BFYDXBDKSA-N 2 2 368.441 0.786 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343234 1197871937 /nfs/dbraw/zinc/87/19/37/1197871937.db2.gz VJBOBSYKDQZBCB-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@]12CN(C(=O)Cn3cc[nH+]c3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993154359 1197894309 /nfs/dbraw/zinc/89/43/09/1197894309.db2.gz DVROBZRIBOFLFZ-QAPCUYQASA-N 2 2 357.458 0.286 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)nn1 ZINC001085429357 1197896052 /nfs/dbraw/zinc/89/60/52/1197896052.db2.gz PDMNTTIWIORSKQ-ZACQAIPSSA-N 2 2 364.494 0.536 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)nn1 ZINC001085429357 1197896055 /nfs/dbraw/zinc/89/60/55/1197896055.db2.gz PDMNTTIWIORSKQ-ZACQAIPSSA-N 2 2 364.494 0.536 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993160464 1197910886 /nfs/dbraw/zinc/91/08/86/1197910886.db2.gz CPUNQMOXSPENGW-ALKREAHSSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106461752 1197944207 /nfs/dbraw/zinc/94/42/07/1197944207.db2.gz LXGJQTDUZXBOGL-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305023 1197973491 /nfs/dbraw/zinc/97/34/91/1197973491.db2.gz WULNYGOCXWILMU-OAGGEKHMSA-N 2 2 367.538 0.957 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305023 1197973498 /nfs/dbraw/zinc/97/34/98/1197973498.db2.gz WULNYGOCXWILMU-OAGGEKHMSA-N 2 2 367.538 0.957 20 0 FCADLP COCCCOC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000742152754 1198156898 /nfs/dbraw/zinc/15/68/98/1198156898.db2.gz NDWHZYIYMHGGGD-UHFFFAOYSA-N 2 2 368.478 0.478 20 0 FCADLP O=C(NC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086111856 1198175285 /nfs/dbraw/zinc/17/52/85/1198175285.db2.gz FZQBKPXJBJILGT-AALSBFMBSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(NC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086111856 1198175291 /nfs/dbraw/zinc/17/52/91/1198175291.db2.gz FZQBKPXJBJILGT-AALSBFMBSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@@H](C(=O)N1CC[N@H+](Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273403291 1198202449 /nfs/dbraw/zinc/20/24/49/1198202449.db2.gz CEUNZCIMLQTLCW-HNAYVOBHSA-N 2 2 361.490 0.648 20 0 FCADLP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273403291 1198202483 /nfs/dbraw/zinc/20/24/83/1198202483.db2.gz CEUNZCIMLQTLCW-HNAYVOBHSA-N 2 2 361.490 0.648 20 0 FCADLP Cn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001086392662 1198347227 /nfs/dbraw/zinc/34/72/27/1198347227.db2.gz ZSCNXYVJYZHXBD-KLHDSHLOSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001086392662 1198347239 /nfs/dbraw/zinc/34/72/39/1198347239.db2.gz ZSCNXYVJYZHXBD-KLHDSHLOSA-N 2 2 355.442 0.897 20 0 FCADLP CCn1nnc(-c2ccccc2NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)n1 ZINC001219483326 1224483551 /nfs/dbraw/zinc/48/35/51/1224483551.db2.gz UOYBTUPIRLGZJL-AWEZNQCLSA-N 2 2 358.450 0.049 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498347 1224488325 /nfs/dbraw/zinc/48/83/25/1224488325.db2.gz WTMJCOMIAZWEOK-KZULUSFZSA-N 3 2 370.413 0.110 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001086482568 1198955870 /nfs/dbraw/zinc/95/58/70/1198955870.db2.gz LSYZLXRHKAMDGB-RFBLXINOSA-N 2 2 369.473 0.787 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001169123101 1199046376 /nfs/dbraw/zinc/04/63/76/1199046376.db2.gz IZEQOSQKWHTLRF-MPTYRVRUSA-N 2 2 360.458 0.120 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001169123101 1199046378 /nfs/dbraw/zinc/04/63/78/1199046378.db2.gz IZEQOSQKWHTLRF-MPTYRVRUSA-N 2 2 360.458 0.120 20 0 FCADLP NC(=O)C1CCN(c2cc(NCc3ncn4c3C[NH2+]CCC4)[nH+]cn2)CC1 ZINC001169242056 1199058155 /nfs/dbraw/zinc/05/81/55/1199058155.db2.gz VOZHWEPXULQLQT-UHFFFAOYSA-N 2 2 370.461 0.480 20 0 FCADLP NC(=O)C1CCN(c2cc(NCc3ncn4c3C[NH2+]CCC4)nc[nH+]2)CC1 ZINC001169242056 1199058165 /nfs/dbraw/zinc/05/81/65/1199058165.db2.gz VOZHWEPXULQLQT-UHFFFAOYSA-N 2 2 370.461 0.480 20 0 FCADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617969 1224529575 /nfs/dbraw/zinc/52/95/75/1224529575.db2.gz SPFONQMIOYHSFC-JENIJYKNSA-N 2 2 364.465 0.029 20 0 FCADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617969 1224529583 /nfs/dbraw/zinc/52/95/83/1224529583.db2.gz SPFONQMIOYHSFC-JENIJYKNSA-N 2 2 364.465 0.029 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001109669189 1200458366 /nfs/dbraw/zinc/45/83/66/1200458366.db2.gz RMLKSTOYCXJXCH-NBMRYCAZSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001109669189 1200458372 /nfs/dbraw/zinc/45/83/72/1200458372.db2.gz RMLKSTOYCXJXCH-NBMRYCAZSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109673554 1200459797 /nfs/dbraw/zinc/45/97/97/1200459797.db2.gz OBCALAGMHMEIOY-IKGGRYGDSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109673554 1200459808 /nfs/dbraw/zinc/45/98/08/1200459808.db2.gz OBCALAGMHMEIOY-IKGGRYGDSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109719215 1200485649 /nfs/dbraw/zinc/48/56/49/1200485649.db2.gz YQWMKGIXVAZGOT-BGTYHANMSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109719215 1200485655 /nfs/dbraw/zinc/48/56/55/1200485655.db2.gz YQWMKGIXVAZGOT-BGTYHANMSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)C1 ZINC001109719215 1200485659 /nfs/dbraw/zinc/48/56/59/1200485659.db2.gz YQWMKGIXVAZGOT-BGTYHANMSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)C1 ZINC001109719215 1200485665 /nfs/dbraw/zinc/48/56/65/1200485665.db2.gz YQWMKGIXVAZGOT-BGTYHANMSA-N 2 2 362.518 0.966 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109865415 1200577032 /nfs/dbraw/zinc/57/70/32/1200577032.db2.gz OJVLMKDCVIFEDJ-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109865415 1200577040 /nfs/dbraw/zinc/57/70/40/1200577040.db2.gz OJVLMKDCVIFEDJ-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001219800866 1224621351 /nfs/dbraw/zinc/62/13/51/1224621351.db2.gz WVCUORASFRHQKR-SQNIBIBYSA-N 2 2 363.506 0.555 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O ZINC001219800866 1224621355 /nfs/dbraw/zinc/62/13/55/1224621355.db2.gz WVCUORASFRHQKR-SQNIBIBYSA-N 2 2 363.506 0.555 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001219802448 1224621958 /nfs/dbraw/zinc/62/19/58/1224621958.db2.gz OUZLTBOWYYFJSV-CVEARBPZSA-N 2 2 362.474 0.626 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)n1 ZINC001219802448 1224621962 /nfs/dbraw/zinc/62/19/62/1224621962.db2.gz OUZLTBOWYYFJSV-CVEARBPZSA-N 2 2 362.474 0.626 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CC1 ZINC001219804024 1224622548 /nfs/dbraw/zinc/62/25/48/1224622548.db2.gz LDIRMDFFWCZASR-IKGGRYGDSA-N 2 2 363.506 0.640 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CC1 ZINC001219804024 1224622555 /nfs/dbraw/zinc/62/25/55/1224622555.db2.gz LDIRMDFFWCZASR-IKGGRYGDSA-N 2 2 363.506 0.640 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805312 1224623832 /nfs/dbraw/zinc/62/38/32/1224623832.db2.gz AWRZHOIQLRENLN-SOLBZPMBSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805312 1224623835 /nfs/dbraw/zinc/62/38/35/1224623835.db2.gz AWRZHOIQLRENLN-SOLBZPMBSA-N 2 2 365.449 0.836 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975884 1200657608 /nfs/dbraw/zinc/65/76/08/1200657608.db2.gz ISGCXTJSVMVQOK-FSDCSDTHSA-N 2 2 361.490 0.941 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975884 1200657611 /nfs/dbraw/zinc/65/76/11/1200657611.db2.gz ISGCXTJSVMVQOK-FSDCSDTHSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977706 1200659904 /nfs/dbraw/zinc/65/99/04/1200659904.db2.gz WDTIAZWJVCZKLV-NCOADZHNSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977706 1200659905 /nfs/dbraw/zinc/65/99/05/1200659905.db2.gz WDTIAZWJVCZKLV-NCOADZHNSA-N 2 2 368.522 0.447 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001110053520 1200739018 /nfs/dbraw/zinc/73/90/18/1200739018.db2.gz JYZSKSBZINMWLC-SIXLDLHFSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001110053520 1200739024 /nfs/dbraw/zinc/73/90/24/1200739024.db2.gz JYZSKSBZINMWLC-SIXLDLHFSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110053222 1200739286 /nfs/dbraw/zinc/73/92/86/1200739286.db2.gz AKXZTXCHQJKQDZ-MVJTYMMSSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110053222 1200739294 /nfs/dbraw/zinc/73/92/94/1200739294.db2.gz AKXZTXCHQJKQDZ-MVJTYMMSSA-N 2 2 373.501 0.991 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812151 1224630332 /nfs/dbraw/zinc/63/03/32/1224630332.db2.gz PDMHADYALRYOSQ-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812151 1224630336 /nfs/dbraw/zinc/63/03/36/1224630336.db2.gz PDMHADYALRYOSQ-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812151 1224630337 /nfs/dbraw/zinc/63/03/37/1224630337.db2.gz PDMHADYALRYOSQ-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812151 1224630341 /nfs/dbraw/zinc/63/03/41/1224630341.db2.gz PDMHADYALRYOSQ-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815913 1224631684 /nfs/dbraw/zinc/63/16/84/1224631684.db2.gz QOGZKHAQQVWRMU-MSOLQXFVSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815913 1224631688 /nfs/dbraw/zinc/63/16/88/1224631688.db2.gz QOGZKHAQQVWRMU-MSOLQXFVSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815913 1224631693 /nfs/dbraw/zinc/63/16/93/1224631693.db2.gz QOGZKHAQQVWRMU-MSOLQXFVSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815913 1224631700 /nfs/dbraw/zinc/63/17/00/1224631700.db2.gz QOGZKHAQQVWRMU-MSOLQXFVSA-N 2 2 363.506 0.918 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112590621 1200830024 /nfs/dbraw/zinc/83/00/24/1200830024.db2.gz HALSNRZSUQDPHY-YJBOKZPZSA-N 2 2 360.462 0.127 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830339 1224642786 /nfs/dbraw/zinc/64/27/86/1224642786.db2.gz VZULOLIPZDZTLA-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830339 1224642788 /nfs/dbraw/zinc/64/27/88/1224642788.db2.gz VZULOLIPZDZTLA-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)cn1 ZINC001219830339 1224642791 /nfs/dbraw/zinc/64/27/91/1224642791.db2.gz VZULOLIPZDZTLA-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)cn1 ZINC001219830339 1224642793 /nfs/dbraw/zinc/64/27/93/1224642793.db2.gz VZULOLIPZDZTLA-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086578956 1201022921 /nfs/dbraw/zinc/02/29/21/1201022921.db2.gz GTEUSQQQCGHGPC-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001086578956 1201022928 /nfs/dbraw/zinc/02/29/28/1201022928.db2.gz GTEUSQQQCGHGPC-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001086578956 1201022937 /nfs/dbraw/zinc/02/29/37/1201022937.db2.gz GTEUSQQQCGHGPC-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086578956 1201022945 /nfs/dbraw/zinc/02/29/45/1201022945.db2.gz GTEUSQQQCGHGPC-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)[NH+](C)C ZINC001219847210 1224651696 /nfs/dbraw/zinc/65/16/96/1224651696.db2.gz ZQJWKGCOHXMTFL-SQNIBIBYSA-N 2 2 367.465 0.566 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)[NH+](C)C ZINC001219847210 1224651698 /nfs/dbraw/zinc/65/16/98/1224651698.db2.gz ZQJWKGCOHXMTFL-SQNIBIBYSA-N 2 2 367.465 0.566 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086599437 1201147571 /nfs/dbraw/zinc/14/75/71/1201147571.db2.gz OLNDPZXKRXGKKU-KSZLIROESA-N 2 2 367.453 0.664 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086599437 1201147576 /nfs/dbraw/zinc/14/75/76/1201147576.db2.gz OLNDPZXKRXGKKU-KSZLIROESA-N 2 2 367.453 0.664 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620559 1201282454 /nfs/dbraw/zinc/28/24/54/1201282454.db2.gz YRKBTUONPKMSMB-BHYGNILZSA-N 2 2 356.470 0.540 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620559 1201282457 /nfs/dbraw/zinc/28/24/57/1201282457.db2.gz YRKBTUONPKMSMB-BHYGNILZSA-N 2 2 356.470 0.540 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461690 1201328243 /nfs/dbraw/zinc/32/82/43/1201328243.db2.gz ZBCQNKBYJYHYEH-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461690 1201328251 /nfs/dbraw/zinc/32/82/51/1201328251.db2.gz ZBCQNKBYJYHYEH-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461690 1201328257 /nfs/dbraw/zinc/32/82/57/1201328257.db2.gz ZBCQNKBYJYHYEH-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461690 1201328261 /nfs/dbraw/zinc/32/82/61/1201328261.db2.gz ZBCQNKBYJYHYEH-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086623522 1201350117 /nfs/dbraw/zinc/35/01/17/1201350117.db2.gz JNGJLPRYENYCLX-RCCFBDPRSA-N 2 2 356.470 0.555 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086623522 1201350119 /nfs/dbraw/zinc/35/01/19/1201350119.db2.gz JNGJLPRYENYCLX-RCCFBDPRSA-N 2 2 356.470 0.555 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803635 1201397759 /nfs/dbraw/zinc/39/77/59/1201397759.db2.gz WFCBFSFFSJRLGY-CABCVRRESA-N 2 2 361.450 0.401 20 0 FCADLP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941082 1201439199 /nfs/dbraw/zinc/43/91/99/1201439199.db2.gz IVIZOQABIQTJJS-KFWWJZLASA-N 2 2 363.441 0.734 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626626 1201451430 /nfs/dbraw/zinc/45/14/30/1201451430.db2.gz XIMZAYWTXHORES-BPQIPLTHSA-N 2 2 369.469 0.944 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626626 1201451431 /nfs/dbraw/zinc/45/14/31/1201451431.db2.gz XIMZAYWTXHORES-BPQIPLTHSA-N 2 2 369.469 0.944 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130083836 1201493476 /nfs/dbraw/zinc/49/34/76/1201493476.db2.gz MFIJVSNPMCEGLK-KGLIPLIRSA-N 2 2 361.450 0.357 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130084067 1201494187 /nfs/dbraw/zinc/49/41/87/1201494187.db2.gz XYQMCCREYGOLMV-MJBXVCDLSA-N 2 2 361.450 0.355 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1)OC ZINC001130107179 1201502421 /nfs/dbraw/zinc/50/24/21/1201502421.db2.gz HWXKCXUUYGVHMO-BMFZPTHFSA-N 2 2 361.450 0.319 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137315 1201515408 /nfs/dbraw/zinc/51/54/08/1201515408.db2.gz SMJZUXDFOUJHPC-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137315 1201515415 /nfs/dbraw/zinc/51/54/15/1201515415.db2.gz SMJZUXDFOUJHPC-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910776 1224678797 /nfs/dbraw/zinc/67/87/97/1224678797.db2.gz RQQYBXQZHXVKBF-MSOLQXFVSA-N 2 2 355.442 0.664 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910776 1224678802 /nfs/dbraw/zinc/67/88/02/1224678802.db2.gz RQQYBXQZHXVKBF-MSOLQXFVSA-N 2 2 355.442 0.664 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910865 1224679815 /nfs/dbraw/zinc/67/98/15/1224679815.db2.gz VVZMFLQHXTXVLG-SJORKVTESA-N 2 2 358.446 0.003 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910865 1224679821 /nfs/dbraw/zinc/67/98/21/1224679821.db2.gz VVZMFLQHXTXVLG-SJORKVTESA-N 2 2 358.446 0.003 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1)[NH+](C)C ZINC001130221164 1201550438 /nfs/dbraw/zinc/55/04/38/1201550438.db2.gz XPIYMQRCIMXZLY-MJBXVCDLSA-N 2 2 370.473 0.583 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130220778 1201550813 /nfs/dbraw/zinc/55/08/13/1201550813.db2.gz LTKPLZZNHKUJRZ-DZKIICNBSA-N 2 2 364.494 0.632 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130221181 1201551252 /nfs/dbraw/zinc/55/12/52/1201551252.db2.gz YKLCGXVDDNLYLJ-OFQRWUPVSA-N 2 2 364.494 0.633 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922801 1224682852 /nfs/dbraw/zinc/68/28/52/1224682852.db2.gz HQPUICDNPQWQFC-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922801 1224682854 /nfs/dbraw/zinc/68/28/54/1224682854.db2.gz HQPUICDNPQWQFC-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922801 1224682857 /nfs/dbraw/zinc/68/28/57/1224682857.db2.gz HQPUICDNPQWQFC-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922801 1224682861 /nfs/dbraw/zinc/68/28/61/1224682861.db2.gz HQPUICDNPQWQFC-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CON(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211290 1202714117 /nfs/dbraw/zinc/71/41/17/1202714117.db2.gz VYLBGJOWQVZUFI-QGZVFWFLSA-N 2 2 374.485 0.861 20 0 FCADLP CON(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211290 1202714122 /nfs/dbraw/zinc/71/41/22/1202714122.db2.gz VYLBGJOWQVZUFI-QGZVFWFLSA-N 2 2 374.485 0.861 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000806501606 1202742953 /nfs/dbraw/zinc/74/29/53/1202742953.db2.gz ADLMWMAYKCNQIX-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)CCCC1 ZINC001220072228 1224744881 /nfs/dbraw/zinc/74/48/81/1224744881.db2.gz LNGJDEIRSONWMQ-CVEARBPZSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)CCCC1 ZINC001220072228 1224744885 /nfs/dbraw/zinc/74/48/85/1224744885.db2.gz LNGJDEIRSONWMQ-CVEARBPZSA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678796 1202805565 /nfs/dbraw/zinc/80/55/65/1202805565.db2.gz VGASGHOJERNBEL-FCEWJHQRSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678796 1202805567 /nfs/dbraw/zinc/80/55/67/1202805567.db2.gz VGASGHOJERNBEL-FCEWJHQRSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678796 1202805568 /nfs/dbraw/zinc/80/55/68/1202805568.db2.gz VGASGHOJERNBEL-FCEWJHQRSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678796 1202805570 /nfs/dbraw/zinc/80/55/70/1202805570.db2.gz VGASGHOJERNBEL-FCEWJHQRSA-N 2 2 366.506 0.060 20 0 FCADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000807318285 1202820692 /nfs/dbraw/zinc/82/06/92/1202820692.db2.gz IKGKBCVMPYMVPX-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000807318285 1202820693 /nfs/dbraw/zinc/82/06/93/1202820693.db2.gz IKGKBCVMPYMVPX-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078363 1224747872 /nfs/dbraw/zinc/74/78/72/1224747872.db2.gz NGEJMMFEJXGVSP-IMJJTQAJSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078363 1224747877 /nfs/dbraw/zinc/74/78/77/1224747877.db2.gz NGEJMMFEJXGVSP-IMJJTQAJSA-N 2 2 366.506 0.079 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108334 1202864093 /nfs/dbraw/zinc/86/40/93/1202864093.db2.gz QAQBCFATIYZHHG-HZPDHXFCSA-N 2 2 360.462 0.317 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117483 1202864949 /nfs/dbraw/zinc/86/49/49/1202864949.db2.gz ADEJPIZTLXHQRG-XNRPHZJLSA-N 2 2 360.462 0.613 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117786 1202865078 /nfs/dbraw/zinc/86/50/78/1202865078.db2.gz RYLAVFGGTFCODX-JGGQBBKZSA-N 2 2 360.462 0.613 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001131538917 1202912831 /nfs/dbraw/zinc/91/28/31/1202912831.db2.gz YIBBXQBFPWGNRM-QAPCUYQASA-N 2 2 363.462 0.005 20 0 FCADLP O=C(NCC[NH2+]Cc1ccc(F)cn1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131611058 1202921276 /nfs/dbraw/zinc/92/12/76/1202921276.db2.gz UKCNVKNMONLFIS-SJORKVTESA-N 2 2 366.437 0.306 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001134043333 1203010837 /nfs/dbraw/zinc/01/08/37/1203010837.db2.gz XPQVXEWHUIVDBS-DJIMGWMZSA-N 2 2 358.442 0.669 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001086731249 1203051731 /nfs/dbraw/zinc/05/17/31/1203051731.db2.gz CTLGDPBQSVYXLB-YYIAUSFCSA-N 2 2 361.490 0.879 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001086731249 1203051736 /nfs/dbraw/zinc/05/17/36/1203051736.db2.gz CTLGDPBQSVYXLB-YYIAUSFCSA-N 2 2 361.490 0.879 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736149 1203061804 /nfs/dbraw/zinc/06/18/04/1203061804.db2.gz DMVVGJWUCUNWGZ-MELADBBJSA-N 2 2 358.450 0.044 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001086737300 1203063345 /nfs/dbraw/zinc/06/33/45/1203063345.db2.gz FFLSIGXOQLZAMH-ARFHVFGLSA-N 2 2 357.462 0.612 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086806845 1203108078 /nfs/dbraw/zinc/10/80/78/1203108078.db2.gz RRRVTXIPYIOLON-ZJIFWQFVSA-N 2 2 374.489 0.423 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000823097348 1203247970 /nfs/dbraw/zinc/24/79/70/1203247970.db2.gz UFMJGZLCUAQMDE-RMKNXTFCSA-N 2 2 374.485 0.660 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000823097348 1203247979 /nfs/dbraw/zinc/24/79/79/1203247979.db2.gz UFMJGZLCUAQMDE-RMKNXTFCSA-N 2 2 374.485 0.660 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1C ZINC001110107480 1203278458 /nfs/dbraw/zinc/27/84/58/1203278458.db2.gz JXLJJEKPSAHZDS-FSDCSDTHSA-N 2 2 362.478 0.005 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1C ZINC001110107480 1203278464 /nfs/dbraw/zinc/27/84/64/1203278464.db2.gz JXLJJEKPSAHZDS-FSDCSDTHSA-N 2 2 362.478 0.005 20 0 FCADLP Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107811 1203287893 /nfs/dbraw/zinc/28/78/93/1203287893.db2.gz WHWIHDFPJKZECB-OAOYMFHYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107811 1203287895 /nfs/dbraw/zinc/28/78/95/1203287895.db2.gz WHWIHDFPJKZECB-OAOYMFHYSA-N 2 2 373.501 0.975 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001090781489 1203298048 /nfs/dbraw/zinc/29/80/48/1203298048.db2.gz YNUZEMHJFLGESV-KCPJHIHWSA-N 2 2 357.462 0.644 20 0 FCADLP C[N@H+](C1CN(C(=O)[C@@H]2[C@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671506 1203323706 /nfs/dbraw/zinc/32/37/06/1203323706.db2.gz SJVMPROUMSZHGW-UHOSZYNNSA-N 2 2 359.470 0.553 20 0 FCADLP C[N@@H+](C1CN(C(=O)[C@@H]2[C@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671506 1203323709 /nfs/dbraw/zinc/32/37/09/1203323709.db2.gz SJVMPROUMSZHGW-UHOSZYNNSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671506 1203323712 /nfs/dbraw/zinc/32/37/12/1203323712.db2.gz SJVMPROUMSZHGW-UHOSZYNNSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671506 1203323715 /nfs/dbraw/zinc/32/37/15/1203323715.db2.gz SJVMPROUMSZHGW-UHOSZYNNSA-N 2 2 359.470 0.553 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C(C)C ZINC001220268563 1224817353 /nfs/dbraw/zinc/81/73/53/1224817353.db2.gz BCNZQRANZYKYBE-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)C(C)C ZINC001220268563 1224817354 /nfs/dbraw/zinc/81/73/54/1224817354.db2.gz BCNZQRANZYKYBE-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220292131 1224821764 /nfs/dbraw/zinc/82/17/64/1224821764.db2.gz ZZPJDLPECPLXRL-OGWOLHLISA-N 2 2 355.442 0.155 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220292131 1224821766 /nfs/dbraw/zinc/82/17/66/1224821766.db2.gz ZZPJDLPECPLXRL-OGWOLHLISA-N 2 2 355.442 0.155 20 0 FCADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144136978 1204424099 /nfs/dbraw/zinc/42/40/99/1204424099.db2.gz OXIKMYRIKDMSGH-OAHLLOKOSA-N 2 2 361.446 0.088 20 0 FCADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144136978 1204424102 /nfs/dbraw/zinc/42/41/02/1204424102.db2.gz OXIKMYRIKDMSGH-OAHLLOKOSA-N 2 2 361.446 0.088 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096227 1204513293 /nfs/dbraw/zinc/51/32/93/1204513293.db2.gz OEEHFTYDHVGNMX-PRLABOORSA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096227 1204513301 /nfs/dbraw/zinc/51/33/01/1204513301.db2.gz OEEHFTYDHVGNMX-PRLABOORSA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)c1noc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097297 1204514210 /nfs/dbraw/zinc/51/42/10/1204514210.db2.gz NKFAEYKLWFFPDL-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1noc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097297 1204514212 /nfs/dbraw/zinc/51/42/12/1204514212.db2.gz NKFAEYKLWFFPDL-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835607 1204669445 /nfs/dbraw/zinc/66/94/45/1204669445.db2.gz MBMIZCWAWNSYPW-HUUCEWRRSA-N 2 2 363.462 0.899 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835607 1204669454 /nfs/dbraw/zinc/66/94/54/1204669454.db2.gz MBMIZCWAWNSYPW-HUUCEWRRSA-N 2 2 363.462 0.899 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543639 1204707682 /nfs/dbraw/zinc/70/76/82/1204707682.db2.gz MIPXDAPOEVOLMD-RKVPGOIHSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543639 1204707690 /nfs/dbraw/zinc/70/76/90/1204707690.db2.gz MIPXDAPOEVOLMD-RKVPGOIHSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543639 1204707698 /nfs/dbraw/zinc/70/76/98/1204707698.db2.gz MIPXDAPOEVOLMD-RKVPGOIHSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543639 1204707707 /nfs/dbraw/zinc/70/77/07/1204707707.db2.gz MIPXDAPOEVOLMD-RKVPGOIHSA-N 2 2 361.494 0.458 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1C ZINC001091543473 1204708210 /nfs/dbraw/zinc/70/82/10/1204708210.db2.gz KDTIZCSDDAGTGJ-CLCXKQKWSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1C ZINC001091543473 1204708216 /nfs/dbraw/zinc/70/82/16/1204708216.db2.gz KDTIZCSDDAGTGJ-CLCXKQKWSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1C ZINC001091543473 1204708218 /nfs/dbraw/zinc/70/82/18/1204708218.db2.gz KDTIZCSDDAGTGJ-CLCXKQKWSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1C ZINC001091543473 1204708225 /nfs/dbraw/zinc/70/82/25/1204708225.db2.gz KDTIZCSDDAGTGJ-CLCXKQKWSA-N 2 2 360.506 0.752 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543755 1204709221 /nfs/dbraw/zinc/70/92/21/1204709221.db2.gz OLDMJSKPKYLFJD-SIIHOXLZSA-N 2 2 359.478 0.383 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543755 1204709226 /nfs/dbraw/zinc/70/92/26/1204709226.db2.gz OLDMJSKPKYLFJD-SIIHOXLZSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543755 1204709234 /nfs/dbraw/zinc/70/92/34/1204709234.db2.gz OLDMJSKPKYLFJD-SIIHOXLZSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543755 1204709242 /nfs/dbraw/zinc/70/92/42/1204709242.db2.gz OLDMJSKPKYLFJD-SIIHOXLZSA-N 2 2 359.478 0.383 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565445 1204725944 /nfs/dbraw/zinc/72/59/44/1204725944.db2.gz PLZWQHSRWOIXQG-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565445 1204725947 /nfs/dbraw/zinc/72/59/47/1204725947.db2.gz PLZWQHSRWOIXQG-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565445 1204725951 /nfs/dbraw/zinc/72/59/51/1204725951.db2.gz PLZWQHSRWOIXQG-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)c(C)o1 ZINC001091565445 1204725954 /nfs/dbraw/zinc/72/59/54/1204725954.db2.gz PLZWQHSRWOIXQG-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565274 1204726444 /nfs/dbraw/zinc/72/64/44/1204726444.db2.gz JJIFWZQTITYSOT-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565274 1204726453 /nfs/dbraw/zinc/72/64/53/1204726453.db2.gz JJIFWZQTITYSOT-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565274 1204726459 /nfs/dbraw/zinc/72/64/59/1204726459.db2.gz JJIFWZQTITYSOT-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565274 1204726462 /nfs/dbraw/zinc/72/64/62/1204726462.db2.gz JJIFWZQTITYSOT-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565768 1204727905 /nfs/dbraw/zinc/72/79/05/1204727905.db2.gz YLBVBCGETPOAGZ-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565768 1204727908 /nfs/dbraw/zinc/72/79/08/1204727908.db2.gz YLBVBCGETPOAGZ-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565768 1204727911 /nfs/dbraw/zinc/72/79/11/1204727911.db2.gz YLBVBCGETPOAGZ-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565768 1204727913 /nfs/dbraw/zinc/72/79/13/1204727913.db2.gz YLBVBCGETPOAGZ-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220377744 1224848864 /nfs/dbraw/zinc/84/88/64/1224848864.db2.gz MJMGEPCJYZQCBP-IKGGRYGDSA-N 2 2 370.538 0.381 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220377744 1224848867 /nfs/dbraw/zinc/84/88/67/1224848867.db2.gz MJMGEPCJYZQCBP-IKGGRYGDSA-N 2 2 370.538 0.381 20 0 FCADLP Cn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1 ZINC001147004971 1204755113 /nfs/dbraw/zinc/75/51/13/1204755113.db2.gz DTIHFXRPLWXXCP-UHFFFAOYSA-N 2 2 361.490 0.336 20 0 FCADLP Cn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1 ZINC001147004971 1204755118 /nfs/dbraw/zinc/75/51/18/1204755118.db2.gz DTIHFXRPLWXXCP-UHFFFAOYSA-N 2 2 361.490 0.336 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683281 1204821185 /nfs/dbraw/zinc/82/11/85/1204821185.db2.gz LOABNNUOSIVLER-NNFUDEMPSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683281 1204821188 /nfs/dbraw/zinc/82/11/88/1204821188.db2.gz LOABNNUOSIVLER-NNFUDEMPSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683281 1204821191 /nfs/dbraw/zinc/82/11/91/1204821191.db2.gz LOABNNUOSIVLER-NNFUDEMPSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683281 1204821193 /nfs/dbraw/zinc/82/11/93/1204821193.db2.gz LOABNNUOSIVLER-NNFUDEMPSA-N 2 2 360.506 0.919 20 0 FCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)n[nH]1 ZINC001091691760 1204822457 /nfs/dbraw/zinc/82/24/57/1204822457.db2.gz YHUWRBHNKIBICI-DWQUBVKVSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[NH+](CC(N)=O)C[C@@]3(C)C2)n[nH]1 ZINC001091691760 1204822460 /nfs/dbraw/zinc/82/24/60/1204822460.db2.gz YHUWRBHNKIBICI-DWQUBVKVSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)n[nH]1 ZINC001091691760 1204822463 /nfs/dbraw/zinc/82/24/63/1204822463.db2.gz YHUWRBHNKIBICI-DWQUBVKVSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@H]3C[N@@H+](CC(N)=O)C[C@@]3(C)C2)n[nH]1 ZINC001091691760 1204822464 /nfs/dbraw/zinc/82/24/64/1204822464.db2.gz YHUWRBHNKIBICI-DWQUBVKVSA-N 2 2 360.462 0.056 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001086987960 1204881570 /nfs/dbraw/zinc/88/15/70/1204881570.db2.gz WVVROKILPKXELO-DLBZAZTESA-N 2 2 369.429 0.697 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]2[NH2+]CCO)cn1 ZINC001086996267 1204886821 /nfs/dbraw/zinc/88/68/21/1204886821.db2.gz WOLYKNNMTKQMIY-IJEWVQPXSA-N 2 2 358.446 0.140 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001087009530 1204897236 /nfs/dbraw/zinc/89/72/36/1204897236.db2.gz KYLUZVIRHXLGMZ-JKSUJKDBSA-N 2 2 370.417 0.092 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]C[C@H]2CCOC2)cn1 ZINC001087012028 1204898463 /nfs/dbraw/zinc/89/84/63/1204898463.db2.gz BBWPUSJKQBHDGE-HYVNUMGLSA-N 2 2 358.446 0.237 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087038515 1204915145 /nfs/dbraw/zinc/91/51/45/1204915145.db2.gz KNTGXZOKPVRJKL-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087038515 1204915153 /nfs/dbraw/zinc/91/51/53/1204915153.db2.gz KNTGXZOKPVRJKL-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087049546 1204925308 /nfs/dbraw/zinc/92/53/08/1204925308.db2.gz NCGRQKADPKKYSY-ZIAGYGMSSA-N 2 2 361.450 0.124 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087070778 1204958660 /nfs/dbraw/zinc/95/86/60/1204958660.db2.gz ITXPDYBUJYCNDK-NVXWUHKLSA-N 2 2 360.462 0.660 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087088431 1204976453 /nfs/dbraw/zinc/97/64/53/1204976453.db2.gz YERNRXKEDOSBSK-RHSMWYFYSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087096768 1205004317 /nfs/dbraw/zinc/00/43/17/1205004317.db2.gz CIDJGMWJOWAQFM-RHSMWYFYSA-N 2 2 361.446 0.912 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091794980 1205015228 /nfs/dbraw/zinc/01/52/28/1205015228.db2.gz GDYAFAVZLNVTLL-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091794980 1205015231 /nfs/dbraw/zinc/01/52/31/1205015231.db2.gz GDYAFAVZLNVTLL-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805772 1205019905 /nfs/dbraw/zinc/01/99/05/1205019905.db2.gz OZKJGBUXCMVYFT-MRAWALMUSA-N 2 2 363.462 0.394 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805772 1205019910 /nfs/dbraw/zinc/01/99/10/1205019910.db2.gz OZKJGBUXCMVYFT-MRAWALMUSA-N 2 2 363.462 0.394 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091875312 1205061442 /nfs/dbraw/zinc/06/14/42/1205061442.db2.gz GKPUPGKRHLGVCY-CLCXKQKWSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091875312 1205061445 /nfs/dbraw/zinc/06/14/45/1205061445.db2.gz GKPUPGKRHLGVCY-CLCXKQKWSA-N 2 2 361.490 0.610 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091876421 1205061648 /nfs/dbraw/zinc/06/16/48/1205061648.db2.gz PFINXZDPHLOAMY-QAPCUYQASA-N 2 2 357.462 0.425 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091876421 1205061653 /nfs/dbraw/zinc/06/16/53/1205061653.db2.gz PFINXZDPHLOAMY-QAPCUYQASA-N 2 2 357.462 0.425 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nc(COC)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022198 1205119555 /nfs/dbraw/zinc/11/95/55/1205119555.db2.gz QLRNCIJMRPJMME-GLJUWKHASA-N 2 2 365.478 0.837 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nc(COC)no3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022198 1205119561 /nfs/dbraw/zinc/11/95/61/1205119561.db2.gz QLRNCIJMRPJMME-GLJUWKHASA-N 2 2 365.478 0.837 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2 ZINC001092052293 1205125585 /nfs/dbraw/zinc/12/55/85/1205125585.db2.gz GXHWDKOFSLGKJB-KUHUBIRLSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CC(=O)NC1CCCC1)C2 ZINC001092052293 1205125589 /nfs/dbraw/zinc/12/55/89/1205125589.db2.gz GXHWDKOFSLGKJB-KUHUBIRLSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)n1 ZINC001092053005 1205126014 /nfs/dbraw/zinc/12/60/14/1205126014.db2.gz VRGBSOIDTMDSDF-QAPCUYQASA-N 2 2 357.462 0.641 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)n1 ZINC001092053005 1205126020 /nfs/dbraw/zinc/12/60/20/1205126020.db2.gz VRGBSOIDTMDSDF-QAPCUYQASA-N 2 2 357.462 0.641 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092135788 1205177786 /nfs/dbraw/zinc/17/77/86/1205177786.db2.gz LDCKGCGMXYOPDE-CLCXKQKWSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092135788 1205177789 /nfs/dbraw/zinc/17/77/89/1205177789.db2.gz LDCKGCGMXYOPDE-CLCXKQKWSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC001092203472 1205197027 /nfs/dbraw/zinc/19/70/27/1205197027.db2.gz RSZZJHKQTQTTFM-KDOFPFPSSA-N 2 2 371.489 0.384 20 0 FCADLP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC001092203472 1205197028 /nfs/dbraw/zinc/19/70/28/1205197028.db2.gz RSZZJHKQTQTTFM-KDOFPFPSSA-N 2 2 371.489 0.384 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1C ZINC001092273777 1205220770 /nfs/dbraw/zinc/22/07/70/1205220770.db2.gz RIYCWUDPPANSIT-KHYOSLBOSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1C ZINC001092273777 1205220778 /nfs/dbraw/zinc/22/07/78/1205220778.db2.gz RIYCWUDPPANSIT-KHYOSLBOSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1C ZINC001092273777 1205220782 /nfs/dbraw/zinc/22/07/82/1205220782.db2.gz RIYCWUDPPANSIT-KHYOSLBOSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1C ZINC001092273777 1205220789 /nfs/dbraw/zinc/22/07/89/1205220789.db2.gz RIYCWUDPPANSIT-KHYOSLBOSA-N 2 2 360.506 0.610 20 0 FCADLP COc1ccccc1C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001220445745 1224875084 /nfs/dbraw/zinc/87/50/84/1224875084.db2.gz SCFIJIGCBJNIKR-YWZLYKJASA-N 2 2 359.470 0.811 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286986 1205252135 /nfs/dbraw/zinc/25/21/35/1205252135.db2.gz RAVAWDLAPWOMNW-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286986 1205252145 /nfs/dbraw/zinc/25/21/45/1205252145.db2.gz RAVAWDLAPWOMNW-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286986 1205252148 /nfs/dbraw/zinc/25/21/48/1205252148.db2.gz RAVAWDLAPWOMNW-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286986 1205252154 /nfs/dbraw/zinc/25/21/54/1205252154.db2.gz RAVAWDLAPWOMNW-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092825136 1205358885 /nfs/dbraw/zinc/35/88/85/1205358885.db2.gz NXZNOXRQTVMOKZ-FMKPAKJESA-N 2 2 355.442 0.863 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092825136 1205358889 /nfs/dbraw/zinc/35/88/89/1205358889.db2.gz NXZNOXRQTVMOKZ-FMKPAKJESA-N 2 2 355.442 0.863 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478512 1224885363 /nfs/dbraw/zinc/88/53/63/1224885363.db2.gz ARDPSGMKZBHLIA-OIISXLGYSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478512 1224885367 /nfs/dbraw/zinc/88/53/67/1224885367.db2.gz ARDPSGMKZBHLIA-OIISXLGYSA-N 2 2 368.522 0.135 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3nncn3C)C[C@H]1C)CC2 ZINC001092913298 1205941686 /nfs/dbraw/zinc/94/16/86/1205941686.db2.gz HFBPERDEDVXOHH-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3nncn3C)C[C@H]1C)CC2 ZINC001092913298 1205941690 /nfs/dbraw/zinc/94/16/90/1205941690.db2.gz HFBPERDEDVXOHH-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220542816 1224917216 /nfs/dbraw/zinc/91/72/16/1224917216.db2.gz QXYAIYWVCPJEIS-SJORKVTESA-N 2 2 361.446 0.938 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220542816 1224917224 /nfs/dbraw/zinc/91/72/24/1224917224.db2.gz QXYAIYWVCPJEIS-SJORKVTESA-N 2 2 361.446 0.938 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001092957895 1205956275 /nfs/dbraw/zinc/95/62/75/1205956275.db2.gz CRMSHJOINWSIHP-RBSFLKMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001092957895 1205956278 /nfs/dbraw/zinc/95/62/78/1205956278.db2.gz CRMSHJOINWSIHP-RBSFLKMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092977774 1205965343 /nfs/dbraw/zinc/96/53/43/1205965343.db2.gz HKXKNJGMQPFFQI-KLHDSHLOSA-N 2 2 374.489 0.233 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092977774 1205965344 /nfs/dbraw/zinc/96/53/44/1205965344.db2.gz HKXKNJGMQPFFQI-KLHDSHLOSA-N 2 2 374.489 0.233 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220548003 1224921676 /nfs/dbraw/zinc/92/16/76/1224921676.db2.gz REZCYSHHGDPVPP-CVEARBPZSA-N 2 2 365.478 0.001 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220548003 1224921687 /nfs/dbraw/zinc/92/16/87/1224921687.db2.gz REZCYSHHGDPVPP-CVEARBPZSA-N 2 2 365.478 0.001 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125142 1206029018 /nfs/dbraw/zinc/02/90/18/1206029018.db2.gz CYZUSGRIFIJQDK-RBSFLKMASA-N 2 2 370.457 0.700 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125142 1206029023 /nfs/dbraw/zinc/02/90/23/1206029023.db2.gz CYZUSGRIFIJQDK-RBSFLKMASA-N 2 2 370.457 0.700 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@@H]1O ZINC001220553219 1224926007 /nfs/dbraw/zinc/92/60/07/1224926007.db2.gz CPOQUCJRNHWPNU-MSOLQXFVSA-N 2 2 365.449 0.540 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@@H]1O ZINC001220553219 1224926012 /nfs/dbraw/zinc/92/60/12/1224926012.db2.gz CPOQUCJRNHWPNU-MSOLQXFVSA-N 2 2 365.449 0.540 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093784330 1206115535 /nfs/dbraw/zinc/11/55/35/1206115535.db2.gz ASBIQOXMBLGHPR-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)nn1 ZINC001093871495 1206138039 /nfs/dbraw/zinc/13/80/39/1206138039.db2.gz NPHQYWHRQVRKKY-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001093874266 1206139953 /nfs/dbraw/zinc/13/99/53/1206139953.db2.gz ZSFFDQOUWAGTFF-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001093857159 1206146308 /nfs/dbraw/zinc/14/63/08/1206146308.db2.gz RSSCRDLGUCRXAD-BMFZPTHFSA-N 2 2 360.458 0.548 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093923532 1206150669 /nfs/dbraw/zinc/15/06/69/1206150669.db2.gz NSJMIQBTGITLEH-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110152086 1206170618 /nfs/dbraw/zinc/17/06/18/1206170618.db2.gz IAXPCJXYWDRDDJ-KBMXLJTQSA-N 2 2 373.457 0.278 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110152086 1206170621 /nfs/dbraw/zinc/17/06/21/1206170621.db2.gz IAXPCJXYWDRDDJ-KBMXLJTQSA-N 2 2 373.457 0.278 20 0 FCADLP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001094075184 1206179895 /nfs/dbraw/zinc/17/98/95/1206179895.db2.gz ZLUHHDKAWFCKTF-ZIAGYGMSSA-N 2 2 360.466 0.623 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153660 1206189224 /nfs/dbraw/zinc/18/92/24/1206189224.db2.gz FXYKMWGJLWEJMO-ILXRZTDVSA-N 2 2 365.478 0.040 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153660 1206189226 /nfs/dbraw/zinc/18/92/26/1206189226.db2.gz FXYKMWGJLWEJMO-ILXRZTDVSA-N 2 2 365.478 0.040 20 0 FCADLP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1=O ZINC001094133079 1206190324 /nfs/dbraw/zinc/19/03/24/1206190324.db2.gz VACNWMRLQDSFGK-CHWSQXEVSA-N 2 2 360.414 0.798 20 0 FCADLP CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001094166428 1206197909 /nfs/dbraw/zinc/19/79/09/1206197909.db2.gz BDNCYJCLZITSKC-INMHGKMJSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC001094189607 1206204905 /nfs/dbraw/zinc/20/49/05/1206204905.db2.gz CYMBAZODZWAVGV-FVQBIDKESA-N 2 2 361.490 0.954 20 0 FCADLP CCCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001094254716 1206212408 /nfs/dbraw/zinc/21/24/08/1206212408.db2.gz FNKPNPVBBJOODO-HUUCEWRRSA-N 2 2 360.466 0.554 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094254710 1206212590 /nfs/dbraw/zinc/21/25/90/1206212590.db2.gz DVAREZKFAYWJRE-RHSMWYFYSA-N 2 2 355.442 0.866 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384790 1206222888 /nfs/dbraw/zinc/22/28/88/1206222888.db2.gz JIGJFFFCHJFWCR-YQVWRLOYSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384790 1206222892 /nfs/dbraw/zinc/22/28/92/1206222892.db2.gz JIGJFFFCHJFWCR-YQVWRLOYSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@H+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384790 1206222894 /nfs/dbraw/zinc/22/28/94/1206222894.db2.gz JIGJFFFCHJFWCR-YQVWRLOYSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384790 1206222896 /nfs/dbraw/zinc/22/28/96/1206222896.db2.gz JIGJFFFCHJFWCR-YQVWRLOYSA-N 2 2 361.490 0.612 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnon2)CC3)O1 ZINC001094446770 1206228010 /nfs/dbraw/zinc/22/80/10/1206228010.db2.gz GSWMLFAYGDMZKS-GFOCRRMGSA-N 2 2 363.462 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnon2)CC3)O1 ZINC001094446770 1206228012 /nfs/dbraw/zinc/22/80/12/1206228012.db2.gz GSWMLFAYGDMZKS-GFOCRRMGSA-N 2 2 363.462 0.650 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnon2)CC3)O1 ZINC001094446770 1206228013 /nfs/dbraw/zinc/22/80/13/1206228013.db2.gz GSWMLFAYGDMZKS-GFOCRRMGSA-N 2 2 363.462 0.650 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2cnon2)CC3)O1 ZINC001094446770 1206228014 /nfs/dbraw/zinc/22/80/14/1206228014.db2.gz GSWMLFAYGDMZKS-GFOCRRMGSA-N 2 2 363.462 0.650 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510098 1206234810 /nfs/dbraw/zinc/23/48/10/1206234810.db2.gz XYXOBROTUJEMFQ-ZXYWRSMDSA-N 2 2 359.474 0.936 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510098 1206234813 /nfs/dbraw/zinc/23/48/13/1206234813.db2.gz XYXOBROTUJEMFQ-ZXYWRSMDSA-N 2 2 359.474 0.936 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC001094551284 1206241316 /nfs/dbraw/zinc/24/13/16/1206241316.db2.gz DVGJPBMLHTYGNS-VQIMIIECSA-N 2 2 368.441 0.727 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC001094551284 1206241319 /nfs/dbraw/zinc/24/13/19/1206241319.db2.gz DVGJPBMLHTYGNS-VQIMIIECSA-N 2 2 368.441 0.727 20 0 FCADLP COCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879291 1206253102 /nfs/dbraw/zinc/25/31/02/1206253102.db2.gz SDHGYHHEWPLDIP-KSZLIROESA-N 2 2 371.522 0.777 20 0 FCADLP CC[N@@H+]1CC[C@@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001173365141 1206270069 /nfs/dbraw/zinc/27/00/69/1206270069.db2.gz YQWJMYKIELLRSK-OAHLLOKOSA-N 2 2 360.506 0.260 20 0 FCADLP CC[N@H+]1CC[C@@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001173365141 1206270072 /nfs/dbraw/zinc/27/00/72/1206270072.db2.gz YQWJMYKIELLRSK-OAHLLOKOSA-N 2 2 360.506 0.260 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242654 1206285673 /nfs/dbraw/zinc/28/56/73/1206285673.db2.gz XODJYKINADIOIZ-UGUYLWEFSA-N 2 2 370.457 0.338 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242654 1206285676 /nfs/dbraw/zinc/28/56/76/1206285676.db2.gz XODJYKINADIOIZ-UGUYLWEFSA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242654 1206285679 /nfs/dbraw/zinc/28/56/79/1206285679.db2.gz XODJYKINADIOIZ-UGUYLWEFSA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242654 1206285680 /nfs/dbraw/zinc/28/56/80/1206285680.db2.gz XODJYKINADIOIZ-UGUYLWEFSA-N 2 2 370.457 0.338 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264620 1206290272 /nfs/dbraw/zinc/29/02/72/1206290272.db2.gz VQHGBLSFUCOZQG-OWSLCNJRSA-N 2 2 372.469 0.338 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264620 1206290278 /nfs/dbraw/zinc/29/02/78/1206290278.db2.gz VQHGBLSFUCOZQG-OWSLCNJRSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264620 1206290282 /nfs/dbraw/zinc/29/02/82/1206290282.db2.gz VQHGBLSFUCOZQG-OWSLCNJRSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264620 1206290288 /nfs/dbraw/zinc/29/02/88/1206290288.db2.gz VQHGBLSFUCOZQG-OWSLCNJRSA-N 2 2 372.469 0.338 20 0 FCADLP O=C(CCn1cc[nH+]c1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001176873776 1206324081 /nfs/dbraw/zinc/32/40/81/1206324081.db2.gz FVYDTQUHMLYPQO-UHFFFAOYSA-N 2 2 353.386 0.930 20 0 FCADLP O=C(NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752166 1206364885 /nfs/dbraw/zinc/36/48/85/1206364885.db2.gz ILZLHHIMWGUDHV-MGPQQGTHSA-N 2 2 361.446 0.585 20 0 FCADLP O=C(NCCCCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752166 1206364888 /nfs/dbraw/zinc/36/48/88/1206364888.db2.gz ILZLHHIMWGUDHV-MGPQQGTHSA-N 2 2 361.446 0.585 20 0 FCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(c1ncccn1)C1C[NH2+]C1 ZINC001178991851 1206369996 /nfs/dbraw/zinc/36/99/96/1206369996.db2.gz QTPLSFHPSXUJCT-QGZVFWFLSA-N 2 2 353.426 0.682 20 0 FCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(c1ncccn1)C1C[NH2+]C1 ZINC001178991851 1206369998 /nfs/dbraw/zinc/36/99/98/1206369998.db2.gz QTPLSFHPSXUJCT-QGZVFWFLSA-N 2 2 353.426 0.682 20 0 FCADLP COCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097592 1206374665 /nfs/dbraw/zinc/37/46/65/1206374665.db2.gz NKVAOWRTEYGDBY-MSOLQXFVSA-N 2 2 371.522 0.779 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC001180347124 1206393196 /nfs/dbraw/zinc/39/31/96/1206393196.db2.gz MGYIKIHOKIWYND-UHFFFAOYSA-N 2 2 359.518 0.794 20 0 FCADLP C[C@H](C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)[NH+]1CCCC1 ZINC001180580963 1206396009 /nfs/dbraw/zinc/39/60/09/1206396009.db2.gz WARMPSADOGJBIY-OAHLLOKOSA-N 2 2 370.457 0.705 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669573 1206440917 /nfs/dbraw/zinc/44/09/17/1206440917.db2.gz QTHNIQCEAQGABN-DEXNDLTESA-N 2 2 361.490 0.734 20 0 FCADLP COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220585738 1224952429 /nfs/dbraw/zinc/95/24/29/1224952429.db2.gz WQCRCRTYYVVKPL-JYJNAYRXSA-N 2 2 363.458 0.611 20 0 FCADLP CC(C)[C@H](C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)[NH+](C)C ZINC001183359249 1206451942 /nfs/dbraw/zinc/45/19/42/1206451942.db2.gz BUYNQZVBMHRXDU-GOSISDBHSA-N 2 2 372.473 0.807 20 0 FCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184470053 1206471789 /nfs/dbraw/zinc/47/17/89/1206471789.db2.gz XESBZWLLUQFFMN-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC001186056295 1206492399 /nfs/dbraw/zinc/49/23/99/1206492399.db2.gz XEMXQLAPHDYTGS-MRXNPFEDSA-N 2 2 365.449 0.982 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC001186056295 1206492402 /nfs/dbraw/zinc/49/24/02/1206492402.db2.gz XEMXQLAPHDYTGS-MRXNPFEDSA-N 2 2 365.449 0.982 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+]3CCc4ccccc4[C@@H]3C2)C1 ZINC001186108144 1206493440 /nfs/dbraw/zinc/49/34/40/1206493440.db2.gz WSZYHMHUGFHULC-WMZOPIPTSA-N 2 2 357.454 0.923 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]3CCc4ccccc4[C@@H]3C2)C1 ZINC001186108144 1206493441 /nfs/dbraw/zinc/49/34/41/1206493441.db2.gz WSZYHMHUGFHULC-WMZOPIPTSA-N 2 2 357.454 0.923 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)C1 ZINC001186108144 1206493442 /nfs/dbraw/zinc/49/34/42/1206493442.db2.gz WSZYHMHUGFHULC-WMZOPIPTSA-N 2 2 357.454 0.923 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)C1 ZINC001186108144 1206493443 /nfs/dbraw/zinc/49/34/43/1206493443.db2.gz WSZYHMHUGFHULC-WMZOPIPTSA-N 2 2 357.454 0.923 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186354088 1206496004 /nfs/dbraw/zinc/49/60/04/1206496004.db2.gz VZPWNSRHHVLXRE-FRQCXROJSA-N 2 2 367.490 0.583 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186354088 1206496006 /nfs/dbraw/zinc/49/60/06/1206496006.db2.gz VZPWNSRHHVLXRE-FRQCXROJSA-N 2 2 367.490 0.583 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599840 1224958709 /nfs/dbraw/zinc/95/87/09/1224958709.db2.gz ODJBMCMEWKXMAQ-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599840 1224958715 /nfs/dbraw/zinc/95/87/15/1224958715.db2.gz ODJBMCMEWKXMAQ-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(CN(C(=O)CCCC[NH+](C)C)C2)OCC1=O ZINC001273547516 1207388850 /nfs/dbraw/zinc/38/88/50/1207388850.db2.gz KCOPXQSUHHPAPY-UHFFFAOYSA-N 2 2 363.462 0.092 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979158 1207406215 /nfs/dbraw/zinc/40/62/15/1207406215.db2.gz TVDVIPISMNYDHU-BHYGNILZSA-N 2 2 362.474 0.302 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979158 1207406221 /nfs/dbraw/zinc/40/62/21/1207406221.db2.gz TVDVIPISMNYDHU-BHYGNILZSA-N 2 2 362.474 0.302 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)C1CC1 ZINC001188205395 1207435052 /nfs/dbraw/zinc/43/50/52/1207435052.db2.gz KLZUKXASAOXSPG-YESZJQIVSA-N 2 2 371.485 0.819 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)C1CC1 ZINC001188205395 1207435057 /nfs/dbraw/zinc/43/50/57/1207435057.db2.gz KLZUKXASAOXSPG-YESZJQIVSA-N 2 2 371.485 0.819 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350055 1207450559 /nfs/dbraw/zinc/45/05/59/1207450559.db2.gz UBHRPCQCAWMYFX-JRPNMDOOSA-N 2 2 370.413 0.293 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350055 1207450562 /nfs/dbraw/zinc/45/05/62/1207450562.db2.gz UBHRPCQCAWMYFX-JRPNMDOOSA-N 2 2 370.413 0.293 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001188562023 1207463037 /nfs/dbraw/zinc/46/30/37/1207463037.db2.gz MFCMWBRITYCFSO-HYVNUMGLSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001188562023 1207463041 /nfs/dbraw/zinc/46/30/41/1207463041.db2.gz MFCMWBRITYCFSO-HYVNUMGLSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001188561376 1207463211 /nfs/dbraw/zinc/46/32/11/1207463211.db2.gz CNQSAEJMKFDQOP-JKSUJKDBSA-N 2 2 361.490 0.887 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001188561376 1207463212 /nfs/dbraw/zinc/46/32/12/1207463212.db2.gz CNQSAEJMKFDQOP-JKSUJKDBSA-N 2 2 361.490 0.887 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127393 1207508969 /nfs/dbraw/zinc/50/89/69/1207508969.db2.gz VFIUESBZEUBDPH-RYQLBKOJSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127393 1207508977 /nfs/dbraw/zinc/50/89/77/1207508977.db2.gz VFIUESBZEUBDPH-RYQLBKOJSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127393 1207508981 /nfs/dbraw/zinc/50/89/81/1207508981.db2.gz VFIUESBZEUBDPH-RYQLBKOJSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189127393 1207508986 /nfs/dbraw/zinc/50/89/86/1207508986.db2.gz VFIUESBZEUBDPH-RYQLBKOJSA-N 2 2 362.518 0.920 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)nc1=O ZINC001189160007 1207514120 /nfs/dbraw/zinc/51/41/20/1207514120.db2.gz TXNGDQMKIMUJKE-UONOGXRCSA-N 2 2 364.494 0.119 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]3C2)nc1=O ZINC001189160007 1207514127 /nfs/dbraw/zinc/51/41/27/1207514127.db2.gz TXNGDQMKIMUJKE-UONOGXRCSA-N 2 2 364.494 0.119 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]3C2)nc1=O ZINC001189160007 1207514131 /nfs/dbraw/zinc/51/41/31/1207514131.db2.gz TXNGDQMKIMUJKE-UONOGXRCSA-N 2 2 364.494 0.119 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]3C2)nc1=O ZINC001189160007 1207514136 /nfs/dbraw/zinc/51/41/36/1207514136.db2.gz TXNGDQMKIMUJKE-UONOGXRCSA-N 2 2 364.494 0.119 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898266 1207623598 /nfs/dbraw/zinc/62/35/98/1207623598.db2.gz IPROJVCBVQFGQT-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898266 1207623602 /nfs/dbraw/zinc/62/36/02/1207623602.db2.gz IPROJVCBVQFGQT-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189898266 1207623606 /nfs/dbraw/zinc/62/36/06/1207623606.db2.gz IPROJVCBVQFGQT-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189898266 1207623607 /nfs/dbraw/zinc/62/36/07/1207623607.db2.gz IPROJVCBVQFGQT-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001190178337 1207658588 /nfs/dbraw/zinc/65/85/88/1207658588.db2.gz XKUUVSRXTFIRLS-HYVNUMGLSA-N 2 2 361.490 0.980 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001190178337 1207658594 /nfs/dbraw/zinc/65/85/94/1207658594.db2.gz XKUUVSRXTFIRLS-HYVNUMGLSA-N 2 2 361.490 0.980 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687011 1225013008 /nfs/dbraw/zinc/01/30/08/1225013008.db2.gz CBGKIRKJJGLNHZ-RDJZCZTQSA-N 2 2 355.442 0.835 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001190487181 1207688649 /nfs/dbraw/zinc/68/86/49/1207688649.db2.gz USSQMJXODSJULW-JKSUJKDBSA-N 2 2 360.462 0.221 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001190487181 1207688653 /nfs/dbraw/zinc/68/86/53/1207688653.db2.gz USSQMJXODSJULW-JKSUJKDBSA-N 2 2 360.462 0.221 20 0 FCADLP C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000775403325 1207715412 /nfs/dbraw/zinc/71/54/12/1207715412.db2.gz FYLBGRLAVDDGNO-HNNXBMFYSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000775403325 1207715417 /nfs/dbraw/zinc/71/54/17/1207715417.db2.gz FYLBGRLAVDDGNO-HNNXBMFYSA-N 2 2 369.510 0.931 20 0 FCADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193058029 1207857963 /nfs/dbraw/zinc/85/79/63/1207857963.db2.gz QUYSIXNRDVMTLD-QBPKDAKJSA-N 2 2 362.474 0.352 20 0 FCADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193058029 1207857966 /nfs/dbraw/zinc/85/79/66/1207857966.db2.gz QUYSIXNRDVMTLD-QBPKDAKJSA-N 2 2 362.474 0.352 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)n1 ZINC001193892291 1207896933 /nfs/dbraw/zinc/89/69/33/1207896933.db2.gz IHLJZSVVAFAWIT-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)n1 ZINC001193892291 1207896936 /nfs/dbraw/zinc/89/69/36/1207896936.db2.gz IHLJZSVVAFAWIT-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001193892291 1207896937 /nfs/dbraw/zinc/89/69/37/1207896937.db2.gz IHLJZSVVAFAWIT-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC001193892291 1207896938 /nfs/dbraw/zinc/89/69/38/1207896938.db2.gz IHLJZSVVAFAWIT-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001194259481 1207927971 /nfs/dbraw/zinc/92/79/71/1207927971.db2.gz WGQQAMVOCLSRSF-IAGOWNOFSA-N 2 2 367.465 0.710 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001194259481 1207927976 /nfs/dbraw/zinc/92/79/76/1207927976.db2.gz WGQQAMVOCLSRSF-IAGOWNOFSA-N 2 2 367.465 0.710 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001194259481 1207927980 /nfs/dbraw/zinc/92/79/80/1207927980.db2.gz WGQQAMVOCLSRSF-IAGOWNOFSA-N 2 2 367.465 0.710 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001194259481 1207927984 /nfs/dbraw/zinc/92/79/84/1207927984.db2.gz WGQQAMVOCLSRSF-IAGOWNOFSA-N 2 2 367.465 0.710 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289268 1207934568 /nfs/dbraw/zinc/93/45/68/1207934568.db2.gz GTYHENRCUNLNRM-QZTJIDSGSA-N 2 2 370.457 0.368 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289268 1207934571 /nfs/dbraw/zinc/93/45/71/1207934571.db2.gz GTYHENRCUNLNRM-QZTJIDSGSA-N 2 2 370.457 0.368 20 0 FCADLP CN(CCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289721 1207934728 /nfs/dbraw/zinc/93/47/28/1207934728.db2.gz NIGBUGBRCBDCSJ-IAGOWNOFSA-N 2 2 358.446 0.003 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194605136 1207964926 /nfs/dbraw/zinc/96/49/26/1207964926.db2.gz XKHUBVHAMJQISG-IAGOWNOFSA-N 2 2 359.430 0.467 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194605136 1207964930 /nfs/dbraw/zinc/96/49/30/1207964930.db2.gz XKHUBVHAMJQISG-IAGOWNOFSA-N 2 2 359.430 0.467 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001194746702 1207972592 /nfs/dbraw/zinc/97/25/92/1207972592.db2.gz ZHUBPRCMTVGIPR-SJLPKXTDSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001194746702 1207972595 /nfs/dbraw/zinc/97/25/95/1207972595.db2.gz ZHUBPRCMTVGIPR-SJLPKXTDSA-N 2 2 362.474 0.350 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220724075 1225036741 /nfs/dbraw/zinc/03/67/41/1225036741.db2.gz DDKIWBVCQBMSNF-DOTOQJQBSA-N 2 2 363.458 0.674 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220724075 1225036744 /nfs/dbraw/zinc/03/67/44/1225036744.db2.gz DDKIWBVCQBMSNF-DOTOQJQBSA-N 2 2 363.458 0.674 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677553 1208032864 /nfs/dbraw/zinc/03/28/64/1208032864.db2.gz SGKATVOIGZHPNU-ARFHVFGLSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677553 1208032865 /nfs/dbraw/zinc/03/28/65/1208032865.db2.gz SGKATVOIGZHPNU-ARFHVFGLSA-N 2 2 368.522 0.040 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821826 1208042046 /nfs/dbraw/zinc/04/20/46/1208042046.db2.gz OYWOYCCOGABJJT-KBRIMQKVSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821826 1208042051 /nfs/dbraw/zinc/04/20/51/1208042051.db2.gz OYWOYCCOGABJJT-KBRIMQKVSA-N 2 2 368.522 0.183 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268336 1208069606 /nfs/dbraw/zinc/06/96/06/1208069606.db2.gz GJHCPJGOCFITAP-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268336 1208069609 /nfs/dbraw/zinc/06/96/09/1208069609.db2.gz GJHCPJGOCFITAP-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268336 1208069613 /nfs/dbraw/zinc/06/96/13/1208069613.db2.gz GJHCPJGOCFITAP-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268336 1208069615 /nfs/dbraw/zinc/06/96/15/1208069615.db2.gz GJHCPJGOCFITAP-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196925908 1208119024 /nfs/dbraw/zinc/11/90/24/1208119024.db2.gz REZCYSHHGDPVPP-HZPDHXFCSA-N 2 2 365.478 0.001 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196925908 1208119025 /nfs/dbraw/zinc/11/90/25/1208119025.db2.gz REZCYSHHGDPVPP-HZPDHXFCSA-N 2 2 365.478 0.001 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001196939385 1208123268 /nfs/dbraw/zinc/12/32/68/1208123268.db2.gz GXDGSZHPBZEQIZ-QZTJIDSGSA-N 2 2 369.506 0.077 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001196939385 1208123272 /nfs/dbraw/zinc/12/32/72/1208123272.db2.gz GXDGSZHPBZEQIZ-QZTJIDSGSA-N 2 2 369.506 0.077 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c(C)n1 ZINC001196940968 1208123897 /nfs/dbraw/zinc/12/38/97/1208123897.db2.gz YAZPIMHXSDOYSE-QZTJIDSGSA-N 2 2 362.474 0.082 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c(C)n1 ZINC001196940968 1208123899 /nfs/dbraw/zinc/12/38/99/1208123899.db2.gz YAZPIMHXSDOYSE-QZTJIDSGSA-N 2 2 362.474 0.082 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(CN3CCC[NH+](C)CC3)c2)C1 ZINC001197510895 1208168855 /nfs/dbraw/zinc/16/88/55/1208168855.db2.gz ZKSDZYCPVNJAHP-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(CN3CCC[NH+](C)CC3)c2)C1 ZINC001197510895 1208168858 /nfs/dbraw/zinc/16/88/58/1208168858.db2.gz ZKSDZYCPVNJAHP-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP C[NH+]1CCO[C@@H](CNC(=O)c2cccc(CN3CCC[N@H+](C)CC3)c2)C1 ZINC001197510895 1208168864 /nfs/dbraw/zinc/16/88/64/1208168864.db2.gz ZKSDZYCPVNJAHP-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP C[NH+]1CCO[C@@H](CNC(=O)c2cccc(CN3CCC[N@@H+](C)CC3)c2)C1 ZINC001197510895 1208168870 /nfs/dbraw/zinc/16/88/70/1208168870.db2.gz ZKSDZYCPVNJAHP-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220740389 1225046488 /nfs/dbraw/zinc/04/64/88/1225046488.db2.gz HOOMNMLXQGCWOP-ZACQAIPSSA-N 2 2 370.538 0.527 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220740389 1225046498 /nfs/dbraw/zinc/04/64/98/1225046498.db2.gz HOOMNMLXQGCWOP-ZACQAIPSSA-N 2 2 370.538 0.527 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001197689265 1208185576 /nfs/dbraw/zinc/18/55/76/1208185576.db2.gz IBJOVYWSLRKFCZ-QZTJIDSGSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001197689265 1208185582 /nfs/dbraw/zinc/18/55/82/1208185582.db2.gz IBJOVYWSLRKFCZ-QZTJIDSGSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001197689265 1208185588 /nfs/dbraw/zinc/18/55/88/1208185588.db2.gz IBJOVYWSLRKFCZ-QZTJIDSGSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220740927 1225048948 /nfs/dbraw/zinc/04/89/48/1225048948.db2.gz XWQSPPIVHAQYID-MSOLQXFVSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220740927 1225048956 /nfs/dbraw/zinc/04/89/56/1225048956.db2.gz XWQSPPIVHAQYID-MSOLQXFVSA-N 2 2 365.522 0.984 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948597 1208208582 /nfs/dbraw/zinc/20/85/82/1208208582.db2.gz JRASZBSRUSMWHX-IAGOWNOFSA-N 2 2 364.490 0.874 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001197948597 1208208585 /nfs/dbraw/zinc/20/85/85/1208208585.db2.gz JRASZBSRUSMWHX-IAGOWNOFSA-N 2 2 364.490 0.874 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001197996805 1208212408 /nfs/dbraw/zinc/21/24/08/1208212408.db2.gz HGNCUWIHHGHLMA-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001197996805 1208212410 /nfs/dbraw/zinc/21/24/10/1208212410.db2.gz HGNCUWIHHGHLMA-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001197996805 1208212412 /nfs/dbraw/zinc/21/24/12/1208212412.db2.gz HGNCUWIHHGHLMA-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001197996805 1208212414 /nfs/dbraw/zinc/21/24/14/1208212414.db2.gz HGNCUWIHHGHLMA-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001198048023 1208213360 /nfs/dbraw/zinc/21/33/60/1208213360.db2.gz QZFNFQNXEOZDIZ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001198048023 1208213363 /nfs/dbraw/zinc/21/33/63/1208213363.db2.gz QZFNFQNXEOZDIZ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001198048023 1208213365 /nfs/dbraw/zinc/21/33/65/1208213365.db2.gz QZFNFQNXEOZDIZ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001198048023 1208213369 /nfs/dbraw/zinc/21/33/69/1208213369.db2.gz QZFNFQNXEOZDIZ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048021 1208213536 /nfs/dbraw/zinc/21/35/36/1208213536.db2.gz QZEOFQNUKSJDBQ-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048021 1208213540 /nfs/dbraw/zinc/21/35/40/1208213540.db2.gz QZEOFQNUKSJDBQ-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048021 1208213543 /nfs/dbraw/zinc/21/35/43/1208213543.db2.gz QZEOFQNUKSJDBQ-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001198048021 1208213546 /nfs/dbraw/zinc/21/35/46/1208213546.db2.gz QZEOFQNUKSJDBQ-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001198046915 1208213824 /nfs/dbraw/zinc/21/38/24/1208213824.db2.gz IXLDEAMNQLWOGW-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001198046915 1208213825 /nfs/dbraw/zinc/21/38/25/1208213825.db2.gz IXLDEAMNQLWOGW-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001198046915 1208213827 /nfs/dbraw/zinc/21/38/27/1208213827.db2.gz IXLDEAMNQLWOGW-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001198046915 1208213829 /nfs/dbraw/zinc/21/38/29/1208213829.db2.gz IXLDEAMNQLWOGW-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001198293035 1208235746 /nfs/dbraw/zinc/23/57/46/1208235746.db2.gz VYWUEXKUVGNBSD-QZTJIDSGSA-N 2 2 358.442 0.207 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001198293035 1208235749 /nfs/dbraw/zinc/23/57/49/1208235749.db2.gz VYWUEXKUVGNBSD-QZTJIDSGSA-N 2 2 358.442 0.207 20 0 FCADLP C[C@H]1C[C@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)C1 ZINC000775866381 1208261560 /nfs/dbraw/zinc/26/15/60/1208261560.db2.gz HSAFLWMEXCXLMU-ADHGMGHFSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@H]1C[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)C1 ZINC000775866381 1208261565 /nfs/dbraw/zinc/26/15/65/1208261565.db2.gz HSAFLWMEXCXLMU-ADHGMGHFSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000775866381 1208261569 /nfs/dbraw/zinc/26/15/69/1208261569.db2.gz HSAFLWMEXCXLMU-ADHGMGHFSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000775866381 1208261576 /nfs/dbraw/zinc/26/15/76/1208261576.db2.gz HSAFLWMEXCXLMU-ADHGMGHFSA-N 2 2 364.534 0.974 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023629 1208310481 /nfs/dbraw/zinc/31/04/81/1208310481.db2.gz MTZKBGKKZVRPHW-BRWVUGGUSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023629 1208310482 /nfs/dbraw/zinc/31/04/82/1208310482.db2.gz MTZKBGKKZVRPHW-BRWVUGGUSA-N 2 2 368.522 0.184 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119494 1208323190 /nfs/dbraw/zinc/32/31/90/1208323190.db2.gz HIGDSXVYLZLVGA-GUDVDZBRSA-N 2 2 371.485 0.427 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119494 1208323191 /nfs/dbraw/zinc/32/31/91/1208323191.db2.gz HIGDSXVYLZLVGA-GUDVDZBRSA-N 2 2 371.485 0.427 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000867314060 1208340876 /nfs/dbraw/zinc/34/08/76/1208340876.db2.gz KTNQMTALNSNJIN-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH+]1CCN(c2ccncc2C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)CC1 ZINC001199361059 1208343361 /nfs/dbraw/zinc/34/33/61/1208343361.db2.gz PTEXNGMLZJYOOB-LBPRGKRZSA-N 2 2 372.498 0.680 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC001199385804 1208345218 /nfs/dbraw/zinc/34/52/18/1208345218.db2.gz YNXKWUDHSYTKFB-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC001199385804 1208345221 /nfs/dbraw/zinc/34/52/21/1208345221.db2.gz YNXKWUDHSYTKFB-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC001199385804 1208345224 /nfs/dbraw/zinc/34/52/24/1208345224.db2.gz YNXKWUDHSYTKFB-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC001199385804 1208345229 /nfs/dbraw/zinc/34/52/29/1208345229.db2.gz YNXKWUDHSYTKFB-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764753 1225060617 /nfs/dbraw/zinc/06/06/17/1225060617.db2.gz VOAMHAHTJUOMIB-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764753 1225060627 /nfs/dbraw/zinc/06/06/27/1225060627.db2.gz VOAMHAHTJUOMIB-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764753 1225060637 /nfs/dbraw/zinc/06/06/37/1225060637.db2.gz VOAMHAHTJUOMIB-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764753 1225060645 /nfs/dbraw/zinc/06/06/45/1225060645.db2.gz VOAMHAHTJUOMIB-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569804 1208462952 /nfs/dbraw/zinc/46/29/52/1208462952.db2.gz ZZHZTZNLAQXCAI-TVFCKZIOSA-N 2 2 362.518 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569804 1208462955 /nfs/dbraw/zinc/46/29/55/1208462955.db2.gz ZZHZTZNLAQXCAI-TVFCKZIOSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001488869675 1208555342 /nfs/dbraw/zinc/55/53/42/1208555342.db2.gz PAKWNRLQTKQRMZ-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001488869675 1208555349 /nfs/dbraw/zinc/55/53/49/1208555349.db2.gz PAKWNRLQTKQRMZ-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489208873 1208674151 /nfs/dbraw/zinc/67/41/51/1208674151.db2.gz HALUPMXSUYHVEZ-SJORKVTESA-N 2 2 361.490 0.968 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489208873 1208674158 /nfs/dbraw/zinc/67/41/58/1208674158.db2.gz HALUPMXSUYHVEZ-SJORKVTESA-N 2 2 361.490 0.968 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816824 1225086769 /nfs/dbraw/zinc/08/67/69/1225086769.db2.gz CGXZDHFIXWOVRD-OIISXLGYSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816824 1225086774 /nfs/dbraw/zinc/08/67/74/1225086774.db2.gz CGXZDHFIXWOVRD-OIISXLGYSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816824 1225086778 /nfs/dbraw/zinc/08/67/78/1225086778.db2.gz CGXZDHFIXWOVRD-OIISXLGYSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816824 1225086783 /nfs/dbraw/zinc/08/67/83/1225086783.db2.gz CGXZDHFIXWOVRD-OIISXLGYSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826081 1225090138 /nfs/dbraw/zinc/09/01/38/1225090138.db2.gz LRGJOGULLPOOCH-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826081 1225090145 /nfs/dbraw/zinc/09/01/45/1225090145.db2.gz LRGJOGULLPOOCH-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826081 1225090152 /nfs/dbraw/zinc/09/01/52/1225090152.db2.gz LRGJOGULLPOOCH-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826081 1225090156 /nfs/dbraw/zinc/09/01/56/1225090156.db2.gz LRGJOGULLPOOCH-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2CC)C[C@@H]1O ZINC001220830588 1225094219 /nfs/dbraw/zinc/09/42/19/1225094219.db2.gz CWFSSPGDDCABJU-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2CC)C[C@@H]1O ZINC001220830588 1225094224 /nfs/dbraw/zinc/09/42/24/1225094224.db2.gz CWFSSPGDDCABJU-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2CC)C[C@@H]1O ZINC001220830588 1225094240 /nfs/dbraw/zinc/09/42/40/1225094240.db2.gz CWFSSPGDDCABJU-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001489541191 1208900900 /nfs/dbraw/zinc/90/09/00/1208900900.db2.gz MWOHGNFLSXCXLS-HUUCEWRRSA-N 2 2 363.462 0.026 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001489541191 1208900903 /nfs/dbraw/zinc/90/09/03/1208900903.db2.gz MWOHGNFLSXCXLS-HUUCEWRRSA-N 2 2 363.462 0.026 20 0 FCADLP CCOC(=O)C1=C(NC(=O)c2ccccc2C[NH+]2CCOCC2)C[NH2+]C1 ZINC001220834001 1225097737 /nfs/dbraw/zinc/09/77/37/1225097737.db2.gz CMPJWTLDSLRSBY-UHFFFAOYSA-N 2 2 359.426 0.669 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220888215 1225124497 /nfs/dbraw/zinc/12/44/97/1225124497.db2.gz GOADVLNRLSODHS-KURKYZTESA-N 2 2 364.490 0.455 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220888215 1225124503 /nfs/dbraw/zinc/12/45/03/1225124503.db2.gz GOADVLNRLSODHS-KURKYZTESA-N 2 2 364.490 0.455 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(Cc3cscn3)CC2)CC[N@@H+]1C ZINC001490492660 1209360120 /nfs/dbraw/zinc/36/01/20/1209360120.db2.gz PFRCNQVFIIMAQE-GDBMZVCRSA-N 2 2 351.520 0.717 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(Cc3cscn3)CC2)CC[N@H+]1C ZINC001490492660 1209360123 /nfs/dbraw/zinc/36/01/23/1209360123.db2.gz PFRCNQVFIIMAQE-GDBMZVCRSA-N 2 2 351.520 0.717 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000852179038 1209536539 /nfs/dbraw/zinc/53/65/39/1209536539.db2.gz WIZHKGLHTIGVEC-UHFFFAOYSA-N 2 2 370.494 0.112 20 0 FCADLP O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220924072 1225143377 /nfs/dbraw/zinc/14/33/77/1225143377.db2.gz NIUITBMLEQOJMJ-OXQOHEQNSA-N 2 2 374.460 0.746 20 0 FCADLP C[C@@H](C[NH+]1CC[C@H](N2CCOC2=O)C1)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437571 1209550102 /nfs/dbraw/zinc/55/01/02/1209550102.db2.gz YXANDDQXPSAZAD-PHZGNYQRSA-N 2 2 366.462 0.676 20 0 FCADLP C[C@@H](C[NH+]1CC[C@H](N2CCOC2=O)C1)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437571 1209550110 /nfs/dbraw/zinc/55/01/10/1209550110.db2.gz YXANDDQXPSAZAD-PHZGNYQRSA-N 2 2 366.462 0.676 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438460 1209550217 /nfs/dbraw/zinc/55/02/17/1209550217.db2.gz QWSHTSKCZPLNES-IRXDYDNUSA-N 2 2 360.458 0.932 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438460 1209550221 /nfs/dbraw/zinc/55/02/21/1209550221.db2.gz QWSHTSKCZPLNES-IRXDYDNUSA-N 2 2 360.458 0.932 20 0 FCADLP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660374 1209582673 /nfs/dbraw/zinc/58/26/73/1209582673.db2.gz CBWQPABJDXUNJF-ZJPYXAASSA-N 2 2 363.506 0.960 20 0 FCADLP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660374 1209582676 /nfs/dbraw/zinc/58/26/76/1209582676.db2.gz CBWQPABJDXUNJF-ZJPYXAASSA-N 2 2 363.506 0.960 20 0 FCADLP O=C1CCCN1C[C@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594378 1209600140 /nfs/dbraw/zinc/60/01/40/1209600140.db2.gz UXNJXWYRYXZTAO-KXBFYZLASA-N 2 2 362.474 0.805 20 0 FCADLP O=C1CCCN1C[C@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594378 1209600141 /nfs/dbraw/zinc/60/01/41/1209600141.db2.gz UXNJXWYRYXZTAO-KXBFYZLASA-N 2 2 362.474 0.805 20 0 FCADLP O=C1CCCN1C[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594374 1209600446 /nfs/dbraw/zinc/60/04/46/1209600446.db2.gz UXNJXWYRYXZTAO-HNAYVOBHSA-N 2 2 362.474 0.805 20 0 FCADLP O=C1CCCN1C[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594374 1209600449 /nfs/dbraw/zinc/60/04/49/1209600449.db2.gz UXNJXWYRYXZTAO-HNAYVOBHSA-N 2 2 362.474 0.805 20 0 FCADLP c1cnc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000856771019 1209728799 /nfs/dbraw/zinc/72/87/99/1209728799.db2.gz WABYCVKXXZQBCP-HNNXBMFYSA-N 2 2 355.446 0.862 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110719570 1209745671 /nfs/dbraw/zinc/74/56/71/1209745671.db2.gz WDJRSPQSTXIHTB-NCOADZHNSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110719570 1209745674 /nfs/dbraw/zinc/74/56/74/1209745674.db2.gz WDJRSPQSTXIHTB-NCOADZHNSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001110719570 1209745678 /nfs/dbraw/zinc/74/56/78/1209745678.db2.gz WDJRSPQSTXIHTB-NCOADZHNSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001110719570 1209745683 /nfs/dbraw/zinc/74/56/83/1209745683.db2.gz WDJRSPQSTXIHTB-NCOADZHNSA-N 2 2 365.522 0.900 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001110731114 1209763293 /nfs/dbraw/zinc/76/32/93/1209763293.db2.gz ORTVWOJRFQHPHS-AHCXZYCDSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001110731114 1209763297 /nfs/dbraw/zinc/76/32/97/1209763297.db2.gz ORTVWOJRFQHPHS-AHCXZYCDSA-N 2 2 362.474 0.830 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001110738614 1209767891 /nfs/dbraw/zinc/76/78/91/1209767891.db2.gz KDOQXMCIRRRALV-SYQHCUMBSA-N 2 2 367.494 0.282 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001110738614 1209767897 /nfs/dbraw/zinc/76/78/97/1209767897.db2.gz KDOQXMCIRRRALV-SYQHCUMBSA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001110738614 1209767905 /nfs/dbraw/zinc/76/79/05/1209767905.db2.gz KDOQXMCIRRRALV-SYQHCUMBSA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001110738614 1209767909 /nfs/dbraw/zinc/76/79/09/1209767909.db2.gz KDOQXMCIRRRALV-SYQHCUMBSA-N 2 2 367.494 0.282 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(=O)[nH]c1=O ZINC000859214725 1209813844 /nfs/dbraw/zinc/81/38/44/1209813844.db2.gz RYYSHYWTLSWMRS-UHFFFAOYSA-N 2 2 373.457 0.927 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(=O)[nH]c1=O ZINC000859214725 1209813847 /nfs/dbraw/zinc/81/38/47/1209813847.db2.gz RYYSHYWTLSWMRS-UHFFFAOYSA-N 2 2 373.457 0.927 20 0 FCADLP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220989277 1225176444 /nfs/dbraw/zinc/17/64/44/1225176444.db2.gz TTZKOTATOGPXQC-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220989277 1225176452 /nfs/dbraw/zinc/17/64/52/1225176452.db2.gz TTZKOTATOGPXQC-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP COc1ccnc(C2(CNC(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CCOCC2)c1 ZINC001220990321 1225176868 /nfs/dbraw/zinc/17/68/68/1225176868.db2.gz HMEXCQQXDLVBPI-KUHUBIRLSA-N 2 2 360.458 0.206 20 0 FCADLP O=C(CC[NH2+]CC1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000870891490 1210121791 /nfs/dbraw/zinc/12/17/91/1210121791.db2.gz CRUHIVUIGDMAGZ-UHFFFAOYSA-N 2 2 374.489 0.352 20 0 FCADLP O=C(CC[NH2+]CC1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000870891490 1210121793 /nfs/dbraw/zinc/12/17/93/1210121793.db2.gz CRUHIVUIGDMAGZ-UHFFFAOYSA-N 2 2 374.489 0.352 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000871283063 1210137991 /nfs/dbraw/zinc/13/79/91/1210137991.db2.gz FZNDFZQHZWZZMS-LJQANCHMSA-N 2 2 360.502 0.559 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000871283063 1210137994 /nfs/dbraw/zinc/13/79/94/1210137994.db2.gz FZNDFZQHZWZZMS-LJQANCHMSA-N 2 2 360.502 0.559 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703786 1210317789 /nfs/dbraw/zinc/31/77/89/1210317789.db2.gz XUCHWZJXDXYJNM-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703786 1210317794 /nfs/dbraw/zinc/31/77/94/1210317794.db2.gz XUCHWZJXDXYJNM-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874703786 1210317798 /nfs/dbraw/zinc/31/77/98/1210317798.db2.gz XUCHWZJXDXYJNM-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000874703786 1210317802 /nfs/dbraw/zinc/31/78/02/1210317802.db2.gz XUCHWZJXDXYJNM-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875271534 1210359407 /nfs/dbraw/zinc/35/94/07/1210359407.db2.gz LCMPCKNLTUHYDA-SFHVURJKSA-N 2 2 357.502 0.760 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875271534 1210359412 /nfs/dbraw/zinc/35/94/12/1210359412.db2.gz LCMPCKNLTUHYDA-SFHVURJKSA-N 2 2 357.502 0.760 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)ccn1 ZINC001221071653 1225208120 /nfs/dbraw/zinc/20/81/20/1225208120.db2.gz FRMYBMWXPOWBPN-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)ccn1 ZINC001221071653 1225208124 /nfs/dbraw/zinc/20/81/24/1225208124.db2.gz FRMYBMWXPOWBPN-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079366 1225213404 /nfs/dbraw/zinc/21/34/04/1225213404.db2.gz WDTZUQUTKCWFHF-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079366 1225213411 /nfs/dbraw/zinc/21/34/11/1225213411.db2.gz WDTZUQUTKCWFHF-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)ccn1 ZINC001221079198 1225213555 /nfs/dbraw/zinc/21/35/55/1225213555.db2.gz NFJYMSWGDDUHDH-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)ccn1 ZINC001221079198 1225213560 /nfs/dbraw/zinc/21/35/60/1225213560.db2.gz NFJYMSWGDDUHDH-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CO)(CO)CC1 ZINC000879970572 1210506787 /nfs/dbraw/zinc/50/67/87/1210506787.db2.gz VZTDQXAVBZKSRF-MRXNPFEDSA-N 2 2 362.474 0.186 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000882636443 1210632625 /nfs/dbraw/zinc/63/26/25/1210632625.db2.gz RILSWYYNNOOQCR-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000882636443 1210632629 /nfs/dbraw/zinc/63/26/29/1210632629.db2.gz RILSWYYNNOOQCR-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP COC(=O)c1cc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)n(C)c1C ZINC000883344269 1210663590 /nfs/dbraw/zinc/66/35/90/1210663590.db2.gz UAICNFGUMRIYED-UHFFFAOYSA-N 2 2 372.473 0.952 20 0 FCADLP O=C(C(=O)N1CC[NH2+]CCC12CCC2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883656923 1210682107 /nfs/dbraw/zinc/68/21/07/1210682107.db2.gz NKKXTISBOVJGNO-INIZCTEOSA-N 2 2 364.490 0.054 20 0 FCADLP COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000884164160 1210718101 /nfs/dbraw/zinc/71/81/01/1210718101.db2.gz ZOUNAMDIMJNFGH-NUJGCVRESA-N 2 2 368.522 0.896 20 0 FCADLP COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000884164160 1210718105 /nfs/dbraw/zinc/71/81/05/1210718105.db2.gz ZOUNAMDIMJNFGH-NUJGCVRESA-N 2 2 368.522 0.896 20 0 FCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884207650 1210723114 /nfs/dbraw/zinc/72/31/14/1210723114.db2.gz BMXRLAARJMWWHM-HNNXBMFYSA-N 2 2 359.474 0.482 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884224832 1210725067 /nfs/dbraw/zinc/72/50/67/1210725067.db2.gz ADIGFNGMVMXNMF-UHFFFAOYSA-N 2 2 361.490 0.674 20 0 FCADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252678 1210726717 /nfs/dbraw/zinc/72/67/17/1210726717.db2.gz PVRPASVEKMGLEM-WBVHZDCISA-N 2 2 370.453 0.725 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000884520015 1210744471 /nfs/dbraw/zinc/74/44/71/1210744471.db2.gz KELQHNPJSLDPJG-QDMKHBRRSA-N 2 2 360.458 0.970 20 0 FCADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000884573543 1210754435 /nfs/dbraw/zinc/75/44/35/1210754435.db2.gz OEHXGRVPJWVJFN-JKSUJKDBSA-N 2 2 353.426 0.145 20 0 FCADLP CC(C)([NH3+])CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000884600418 1210759963 /nfs/dbraw/zinc/75/99/63/1210759963.db2.gz ATMZLPYEHKNBCD-UHFFFAOYSA-N 2 2 361.490 0.168 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000884622276 1210764819 /nfs/dbraw/zinc/76/48/19/1210764819.db2.gz JXAPKIOWUVXRPR-GJZGRUSLSA-N 2 2 373.501 0.786 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000884628364 1210766607 /nfs/dbraw/zinc/76/66/07/1210766607.db2.gz WYQQAYRQQOKMFE-AWEZNQCLSA-N 2 2 361.490 0.773 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884628133 1210767149 /nfs/dbraw/zinc/76/71/49/1210767149.db2.gz OURCLUOEIJDZRD-LBPRGKRZSA-N 2 2 369.416 0.239 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884644344 1210771517 /nfs/dbraw/zinc/77/15/17/1210771517.db2.gz LZKJYTNAPNYHPW-CHWSQXEVSA-N 2 2 367.400 0.138 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000884694664 1210782986 /nfs/dbraw/zinc/78/29/86/1210782986.db2.gz SPACBGLXGOQINJ-IRXDYDNUSA-N 2 2 355.442 0.999 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000884694662 1210783603 /nfs/dbraw/zinc/78/36/03/1210783603.db2.gz SPACBGLXGOQINJ-DLBZAZTESA-N 2 2 355.442 0.999 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884715756 1210786174 /nfs/dbraw/zinc/78/61/74/1210786174.db2.gz DFJYDQYSKAIZKD-IRXDYDNUSA-N 2 2 355.442 0.999 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797801 1210796690 /nfs/dbraw/zinc/79/66/90/1210796690.db2.gz XUGWMTWLHUKTOF-NVXWUHKLSA-N 2 2 362.474 0.036 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797801 1210796695 /nfs/dbraw/zinc/79/66/95/1210796695.db2.gz XUGWMTWLHUKTOF-NVXWUHKLSA-N 2 2 362.474 0.036 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000884968920 1210805649 /nfs/dbraw/zinc/80/56/49/1210805649.db2.gz XICUNMXYCNIPOW-JKSUJKDBSA-N 2 2 366.506 0.204 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000884968917 1210805861 /nfs/dbraw/zinc/80/58/61/1210805861.db2.gz XICUNMXYCNIPOW-CVEARBPZSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000884984321 1210806824 /nfs/dbraw/zinc/80/68/24/1210806824.db2.gz WKHZVUYCPDTCOB-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000884984321 1210806825 /nfs/dbraw/zinc/80/68/25/1210806825.db2.gz WKHZVUYCPDTCOB-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000884983338 1210806897 /nfs/dbraw/zinc/80/68/97/1210806897.db2.gz ILZDKYCOENHRJH-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000884983338 1210806900 /nfs/dbraw/zinc/80/69/00/1210806900.db2.gz ILZDKYCOENHRJH-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc[nH+]1 ZINC000885008933 1210807856 /nfs/dbraw/zinc/80/78/56/1210807856.db2.gz UUEBMCQBKAGODG-MUJYYYPQSA-N 2 2 372.473 0.080 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)c1 ZINC000885017684 1210808946 /nfs/dbraw/zinc/80/89/46/1210808946.db2.gz BIRZJNNJDZPSLE-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)c1 ZINC000885017684 1210808949 /nfs/dbraw/zinc/80/89/49/1210808949.db2.gz BIRZJNNJDZPSLE-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000885019960 1210809261 /nfs/dbraw/zinc/80/92/61/1210809261.db2.gz CAEGEKSPKFICRX-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000885019960 1210809264 /nfs/dbraw/zinc/80/92/64/1210809264.db2.gz CAEGEKSPKFICRX-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000885020689 1210809447 /nfs/dbraw/zinc/80/94/47/1210809447.db2.gz NHJCHGZNPOMZBP-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000885020689 1210809448 /nfs/dbraw/zinc/80/94/48/1210809448.db2.gz NHJCHGZNPOMZBP-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000885161290 1210814012 /nfs/dbraw/zinc/81/40/12/1210814012.db2.gz DERHWFVWCCNEGJ-QGZVFWFLSA-N 2 2 355.442 0.562 20 0 FCADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000885161166 1210814150 /nfs/dbraw/zinc/81/41/50/1210814150.db2.gz CECUFEXERXSABE-QGZVFWFLSA-N 2 2 367.453 0.946 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[C@H]1[NH3+] ZINC000885227731 1210816464 /nfs/dbraw/zinc/81/64/64/1210816464.db2.gz MHQGPQWCCJNUQN-OIISXLGYSA-N 2 2 355.442 0.936 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001221152487 1225242461 /nfs/dbraw/zinc/24/24/61/1225242461.db2.gz ZIYAZNFJFGFOJW-HNNXBMFYSA-N 2 2 356.430 0.898 20 0 FCADLP CCC1([NH+]2CCC2)CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000886712939 1210834995 /nfs/dbraw/zinc/83/49/95/1210834995.db2.gz PUNLJLUWMSEVNU-UHFFFAOYSA-N 2 2 374.489 0.384 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)[C@@H]4[C@H](O)CCCN4C3=O)CC2)CC1 ZINC000349350738 1210866309 /nfs/dbraw/zinc/86/63/09/1210866309.db2.gz VZEUHXWHQKBBFG-CVEARBPZSA-N 2 2 350.463 0.333 20 0 FCADLP Cc1ccccc1OCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164340 1225249826 /nfs/dbraw/zinc/24/98/26/1225249826.db2.gz DIAJXRVUZURPEC-SJORKVTESA-N 2 2 358.442 0.822 20 0 FCADLP Cc1ccccc1OCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164340 1225249831 /nfs/dbraw/zinc/24/98/31/1225249831.db2.gz DIAJXRVUZURPEC-SJORKVTESA-N 2 2 358.442 0.822 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221164535 1225249885 /nfs/dbraw/zinc/24/98/85/1225249885.db2.gz KUEGUYQVMICZFM-KSZLIROESA-N 2 2 358.442 0.038 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221164535 1225249890 /nfs/dbraw/zinc/24/98/90/1225249890.db2.gz KUEGUYQVMICZFM-KSZLIROESA-N 2 2 358.442 0.038 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715977 1210985121 /nfs/dbraw/zinc/98/51/21/1210985121.db2.gz CZILEPQPWFCJMH-OAHLLOKOSA-N 2 2 361.490 0.682 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715977 1210985126 /nfs/dbraw/zinc/98/51/26/1210985126.db2.gz CZILEPQPWFCJMH-OAHLLOKOSA-N 2 2 361.490 0.682 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110845514 1210991696 /nfs/dbraw/zinc/99/16/96/1210991696.db2.gz KPTCQASDDWWKTL-VQHPVUNQSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110845514 1210991698 /nfs/dbraw/zinc/99/16/98/1210991698.db2.gz KPTCQASDDWWKTL-VQHPVUNQSA-N 2 2 373.501 0.991 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397855 1211044472 /nfs/dbraw/zinc/04/44/72/1211044472.db2.gz UVFPRASIDDYQME-OKZBNKHCSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397855 1211044476 /nfs/dbraw/zinc/04/44/76/1211044476.db2.gz UVFPRASIDDYQME-OKZBNKHCSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397855 1211044477 /nfs/dbraw/zinc/04/44/77/1211044477.db2.gz UVFPRASIDDYQME-OKZBNKHCSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397855 1211044484 /nfs/dbraw/zinc/04/44/84/1211044484.db2.gz UVFPRASIDDYQME-OKZBNKHCSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001274396168 1211044941 /nfs/dbraw/zinc/04/49/41/1211044941.db2.gz AEVDPSSMJGTVAF-OKZBNKHCSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001274396168 1211044943 /nfs/dbraw/zinc/04/49/43/1211044943.db2.gz AEVDPSSMJGTVAF-OKZBNKHCSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001274396166 1211045015 /nfs/dbraw/zinc/04/50/15/1211045015.db2.gz AEVDPSSMJGTVAF-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001274396166 1211045019 /nfs/dbraw/zinc/04/50/19/1211045019.db2.gz AEVDPSSMJGTVAF-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP C[NH+]1CCC(C)(C(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)CC1 ZINC001274400701 1211045076 /nfs/dbraw/zinc/04/50/76/1211045076.db2.gz LCIXWUWUQYQIKZ-IRXDYDNUSA-N 2 2 361.490 0.527 20 0 FCADLP COC(=O)c1ccc(CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184065 1225258472 /nfs/dbraw/zinc/25/84/72/1225258472.db2.gz QSCSWTXWCYCVHL-TVFCKZIOSA-N 3 2 374.485 0.761 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)CC1 ZINC001274514832 1211071740 /nfs/dbraw/zinc/07/17/40/1211071740.db2.gz LQIAHSVWDJSXNE-ROUUACIJSA-N 2 2 360.506 0.613 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)CC1 ZINC001274514832 1211071744 /nfs/dbraw/zinc/07/17/44/1211071744.db2.gz LQIAHSVWDJSXNE-ROUUACIJSA-N 2 2 360.506 0.613 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)CC1 ZINC001274514832 1211071747 /nfs/dbraw/zinc/07/17/47/1211071747.db2.gz LQIAHSVWDJSXNE-ROUUACIJSA-N 2 2 360.506 0.613 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cn[nH]c2)CC1 ZINC001274514832 1211071752 /nfs/dbraw/zinc/07/17/52/1211071752.db2.gz LQIAHSVWDJSXNE-ROUUACIJSA-N 2 2 360.506 0.613 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@H]3C[N@H+](C)CCO3)(C1)C2 ZINC001274574980 1211083197 /nfs/dbraw/zinc/08/31/97/1211083197.db2.gz LFGPIEYIHXTQOR-VNCLNFNDSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)(C1)C2 ZINC001274574980 1211083199 /nfs/dbraw/zinc/08/31/99/1211083199.db2.gz LFGPIEYIHXTQOR-VNCLNFNDSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CC2(CN(C(=O)C3C[NH+]([C@H]4CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001274707476 1211106714 /nfs/dbraw/zinc/10/67/14/1211106714.db2.gz AYQJDJGSLXBGLM-HNNXBMFYSA-N 2 2 364.490 0.702 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)COCC23C[NH+](CCC(C)(C)C)C3)CC1 ZINC001275126376 1211176699 /nfs/dbraw/zinc/17/66/99/1211176699.db2.gz FBAROXQQYFOSQG-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP CCC1(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4c[nH+]cn4C)C3)C2)COC1 ZINC001275152460 1211182045 /nfs/dbraw/zinc/18/20/45/1211182045.db2.gz LRKLWECNPWOVFR-IBGZPJMESA-N 2 2 362.474 0.898 20 0 FCADLP CCC1(C[N@H+]2CCOC[C@@]3(CC(=O)N(Cc4c[nH+]cn4C)C3)C2)COC1 ZINC001275152460 1211182048 /nfs/dbraw/zinc/18/20/48/1211182048.db2.gz LRKLWECNPWOVFR-IBGZPJMESA-N 2 2 362.474 0.898 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@]2(C1)C[NH+](C)CCO2 ZINC001275154888 1211183224 /nfs/dbraw/zinc/18/32/24/1211183224.db2.gz MEPFXDGSDVZMFZ-AZUAARDMSA-N 2 2 361.486 0.803 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@]2(C1)C[NH+](C)CCO2 ZINC001275154888 1211183227 /nfs/dbraw/zinc/18/32/27/1211183227.db2.gz MEPFXDGSDVZMFZ-AZUAARDMSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001275154888 1211183229 /nfs/dbraw/zinc/18/32/29/1211183229.db2.gz MEPFXDGSDVZMFZ-AZUAARDMSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001275154888 1211183230 /nfs/dbraw/zinc/18/32/30/1211183230.db2.gz MEPFXDGSDVZMFZ-AZUAARDMSA-N 2 2 361.486 0.803 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(CN(CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343541 1211219463 /nfs/dbraw/zinc/21/94/63/1211219463.db2.gz PEJRIRZWCOTHGJ-UHFFFAOYSA-N 2 2 361.490 0.709 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001275370855 1211224870 /nfs/dbraw/zinc/22/48/70/1211224870.db2.gz QDCNXNYKERZVKA-GOSISDBHSA-N 2 2 356.430 0.843 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001275370855 1211224871 /nfs/dbraw/zinc/22/48/71/1211224871.db2.gz QDCNXNYKERZVKA-GOSISDBHSA-N 2 2 356.430 0.843 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275372843 1211225921 /nfs/dbraw/zinc/22/59/21/1211225921.db2.gz PXQJOKRQBXCHGE-SFHVURJKSA-N 2 2 356.430 0.485 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275372843 1211225924 /nfs/dbraw/zinc/22/59/24/1211225924.db2.gz PXQJOKRQBXCHGE-SFHVURJKSA-N 2 2 356.430 0.485 20 0 FCADLP Cc1n[nH]cc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275382462 1211227412 /nfs/dbraw/zinc/22/74/12/1211227412.db2.gz HIYZTZWODJUZIO-SFHVURJKSA-N 2 2 358.446 0.666 20 0 FCADLP Cc1n[nH]cc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275382462 1211227413 /nfs/dbraw/zinc/22/74/13/1211227413.db2.gz HIYZTZWODJUZIO-SFHVURJKSA-N 2 2 358.446 0.666 20 0 FCADLP Cc1n[nH]cc1C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275383227 1211227833 /nfs/dbraw/zinc/22/78/33/1211227833.db2.gz NPVMSCNWQDIOJJ-GOSISDBHSA-N 2 2 356.430 0.993 20 0 FCADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275383227 1211227836 /nfs/dbraw/zinc/22/78/36/1211227836.db2.gz NPVMSCNWQDIOJJ-GOSISDBHSA-N 2 2 356.430 0.993 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH+]ccc1N ZINC001275455629 1211241861 /nfs/dbraw/zinc/24/18/61/1211241861.db2.gz NFSKELHRMKOBSG-IBGZPJMESA-N 2 2 359.474 0.976 20 0 FCADLP Cc1ncoc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275467372 1211245231 /nfs/dbraw/zinc/24/52/31/1211245231.db2.gz FJZXKIDQVSHMJO-GOSISDBHSA-N 2 2 359.430 0.931 20 0 FCADLP Cc1ncoc1C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275467372 1211245234 /nfs/dbraw/zinc/24/52/34/1211245234.db2.gz FJZXKIDQVSHMJO-GOSISDBHSA-N 2 2 359.430 0.931 20 0 FCADLP Cc1nccc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)n1 ZINC001275481060 1211248842 /nfs/dbraw/zinc/24/88/42/1211248842.db2.gz VWVXSZFPXVZFAX-SFHVURJKSA-N 2 2 356.430 0.485 20 0 FCADLP Cc1nccc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)n1 ZINC001275481060 1211248846 /nfs/dbraw/zinc/24/88/46/1211248846.db2.gz VWVXSZFPXVZFAX-SFHVURJKSA-N 2 2 356.430 0.485 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738409 1211279281 /nfs/dbraw/zinc/27/92/81/1211279281.db2.gz YHSUVDACGMTIRB-IBGZPJMESA-N 3 2 361.490 0.434 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738409 1211279284 /nfs/dbraw/zinc/27/92/84/1211279284.db2.gz YHSUVDACGMTIRB-IBGZPJMESA-N 3 2 361.490 0.434 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1c[nH]c3cccc(O)c13)C2 ZINC001275787778 1211283120 /nfs/dbraw/zinc/28/31/20/1211283120.db2.gz OYRKUGYMDQURFW-UHFFFAOYSA-N 2 2 358.442 0.848 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](C[C@H]3COC(C)(C)O3)C2)OCC1=O ZINC001275813040 1211289389 /nfs/dbraw/zinc/28/93/89/1211289389.db2.gz MXZTZAFCASRWPX-YJBOKZPZSA-N 2 2 364.446 0.375 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](C[C@H]3COC(C)(C)O3)C2)OCC1=O ZINC001275813040 1211289390 /nfs/dbraw/zinc/28/93/90/1211289390.db2.gz MXZTZAFCASRWPX-YJBOKZPZSA-N 2 2 364.446 0.375 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C2CCCC2)C1 ZINC001275816895 1211289873 /nfs/dbraw/zinc/28/98/73/1211289873.db2.gz BBCDLMUEPHUDAC-UAGQMJEPSA-N 2 2 365.474 0.336 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C2CCCC2)C1 ZINC001275816895 1211289876 /nfs/dbraw/zinc/28/98/76/1211289876.db2.gz BBCDLMUEPHUDAC-UAGQMJEPSA-N 2 2 365.474 0.336 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)C1 ZINC001275816895 1211289879 /nfs/dbraw/zinc/28/98/79/1211289879.db2.gz BBCDLMUEPHUDAC-UAGQMJEPSA-N 2 2 365.474 0.336 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)C1 ZINC001275816895 1211289883 /nfs/dbraw/zinc/28/98/83/1211289883.db2.gz BBCDLMUEPHUDAC-UAGQMJEPSA-N 2 2 365.474 0.336 20 0 FCADLP CCOC(=O)[C@H](C)N1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833576 1211293701 /nfs/dbraw/zinc/29/37/01/1211293701.db2.gz KLEMQGLRLWHEIN-HNNXBMFYSA-N 2 2 367.490 0.583 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303198 /nfs/dbraw/zinc/30/31/98/1211303198.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303200 /nfs/dbraw/zinc/30/32/00/1211303200.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303201 /nfs/dbraw/zinc/30/32/01/1211303201.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878602 1211303202 /nfs/dbraw/zinc/30/32/02/1211303202.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878602 1211303203 /nfs/dbraw/zinc/30/32/03/1211303203.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 3 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878602 1211303205 /nfs/dbraw/zinc/30/32/05/1211303205.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878602 1211303207 /nfs/dbraw/zinc/30/32/07/1211303207.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878602 1211303209 /nfs/dbraw/zinc/30/32/09/1211303209.db2.gz LVQUOFZSCHRMMF-MJGOQNOKSA-N 3 2 361.490 0.528 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](CC3C(=O)N=CNC3=O)C2)C1=O ZINC001275899778 1211308795 /nfs/dbraw/zinc/30/87/95/1211308795.db2.gz IZZFWTBOGLNSDH-QGZVFWFLSA-N 2 2 358.402 0.246 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](CC3C(=O)N=CNC3=O)C2)C1=O ZINC001275899778 1211308797 /nfs/dbraw/zinc/30/87/97/1211308797.db2.gz IZZFWTBOGLNSDH-QGZVFWFLSA-N 2 2 358.402 0.246 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cn4ccncc4n3)C2)OCC1=O ZINC001275956679 1211317071 /nfs/dbraw/zinc/31/70/71/1211317071.db2.gz KOBRNRGGBWMMKS-GOSISDBHSA-N 2 2 358.446 0.094 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3cccnn3)C2)C1=O ZINC001276037405 1211328201 /nfs/dbraw/zinc/32/82/01/1211328201.db2.gz HVKLWYSZKBXXRW-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cccnn3)C2)C1=O ZINC001276037405 1211328206 /nfs/dbraw/zinc/32/82/06/1211328206.db2.gz HVKLWYSZKBXXRW-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)CN(Cc3ccc4[nH+]ccn4c3)C[C@@]2(F)C1=O ZINC001276233070 1211385570 /nfs/dbraw/zinc/38/55/70/1211385570.db2.gz IXOXVUUMSWGTFH-ZWKOTPCHSA-N 2 2 363.412 0.970 20 0 FCADLP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001095684428 1211447187 /nfs/dbraw/zinc/44/71/87/1211447187.db2.gz DQSSPZVMQGXNTP-IKGGRYGDSA-N 2 2 360.502 0.957 20 0 FCADLP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001095684428 1211447190 /nfs/dbraw/zinc/44/71/90/1211447190.db2.gz DQSSPZVMQGXNTP-IKGGRYGDSA-N 2 2 360.502 0.957 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634470 1211475720 /nfs/dbraw/zinc/47/57/20/1211475720.db2.gz NZLWSBPEHCJKBL-SJORKVTESA-N 3 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634470 1211475721 /nfs/dbraw/zinc/47/57/21/1211475721.db2.gz NZLWSBPEHCJKBL-SJORKVTESA-N 3 2 363.506 0.561 20 0 FCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000924714880 1211477716 /nfs/dbraw/zinc/47/77/16/1211477716.db2.gz CSJAAYUPRYNFAV-SFHVURJKSA-N 2 2 374.485 0.962 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnnn1C ZINC000925396398 1211499081 /nfs/dbraw/zinc/49/90/81/1211499081.db2.gz LWFNNVWDTLDWKG-CABCVRRESA-N 2 2 372.477 0.761 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000925612981 1211504808 /nfs/dbraw/zinc/50/48/08/1211504808.db2.gz PDESXJGABWENNS-ZWKOTPCHSA-N 2 2 368.522 0.994 20 0 FCADLP COc1ccccc1[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1nnc(C)o1 ZINC001221338731 1225300218 /nfs/dbraw/zinc/30/02/18/1225300218.db2.gz VGYFEIWUVTVVDQ-UKRRQHHQSA-N 2 2 356.386 0.885 20 0 FCADLP COc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1nnc(C)o1 ZINC001221337254 1225300416 /nfs/dbraw/zinc/30/04/16/1225300416.db2.gz PECJAXJEWIVRJH-GOEBONIOSA-N 2 2 370.413 0.896 20 0 FCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[NH+]3C)c2)CCO1 ZINC000929730280 1211657603 /nfs/dbraw/zinc/65/76/03/1211657603.db2.gz AHROZXYEYVRCEG-MAUKXSAKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[NH+]3C)c2)CCO1 ZINC000929730280 1211657604 /nfs/dbraw/zinc/65/76/04/1211657604.db2.gz AHROZXYEYVRCEG-MAUKXSAKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)c2)CCO1 ZINC000929730280 1211657607 /nfs/dbraw/zinc/65/76/07/1211657607.db2.gz AHROZXYEYVRCEG-MAUKXSAKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[N@H+]3C)c2)CCO1 ZINC000929730280 1211657610 /nfs/dbraw/zinc/65/76/10/1211657610.db2.gz AHROZXYEYVRCEG-MAUKXSAKSA-N 2 2 374.485 0.344 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)N1CCC(C3=CC=C(N)C[NH2+]3)CC1)C[NH2+]C2 ZINC001221392668 1225305413 /nfs/dbraw/zinc/30/54/13/1225305413.db2.gz YXCNHXLEUSEMNA-AWEZNQCLSA-N 2 2 357.462 0.053 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028580 1211804562 /nfs/dbraw/zinc/80/45/62/1211804562.db2.gz HETJFBABGWJJSZ-MCIONIFRSA-N 2 2 367.494 0.141 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4noc5c4COCC5)C[C@H]32)CC[NH+]1C ZINC000959966352 1213564876 /nfs/dbraw/zinc/56/48/76/1213564876.db2.gz LJSIKYFNGAEEBM-OSHGBCRDSA-N 2 2 360.458 0.634 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001221772119 1225476028 /nfs/dbraw/zinc/47/60/28/1225476028.db2.gz NVPGURLQIZYKSZ-USXIJHARSA-N 2 2 362.518 0.776 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1)C1CC1 ZINC001221772119 1225476030 /nfs/dbraw/zinc/47/60/30/1225476030.db2.gz NVPGURLQIZYKSZ-USXIJHARSA-N 2 2 362.518 0.776 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001221771988 1225476599 /nfs/dbraw/zinc/47/65/99/1225476599.db2.gz LBZKTUOMEJXMGE-GDBMZVCRSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001221771988 1225476601 /nfs/dbraw/zinc/47/66/01/1225476601.db2.gz LBZKTUOMEJXMGE-GDBMZVCRSA-N 2 2 359.474 0.860 20 0 FCADLP 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C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001222976952 1225670741 /nfs/dbraw/zinc/67/07/41/1225670741.db2.gz YRBKLHJXJCNBGV-SQNIBIBYSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001222976952 1225670744 /nfs/dbraw/zinc/67/07/44/1225670744.db2.gz YRBKLHJXJCNBGV-SQNIBIBYSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001222976952 1225670752 /nfs/dbraw/zinc/67/07/52/1225670752.db2.gz YRBKLHJXJCNBGV-SQNIBIBYSA-N 2 2 362.518 0.920 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001222968928 1225671358 /nfs/dbraw/zinc/67/13/58/1225671358.db2.gz UGHACFJSZXZMNN-ZACQAIPSSA-N 2 2 364.490 0.857 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001222968928 1225671361 /nfs/dbraw/zinc/67/13/61/1225671361.db2.gz UGHACFJSZXZMNN-ZACQAIPSSA-N 2 2 364.490 0.857 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCO2)n1 ZINC001051623906 1216467420 /nfs/dbraw/zinc/46/74/20/1216467420.db2.gz KIPGZVNCSOXUDA-SOUVJXGZSA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCO2)n1 ZINC001051623906 1216467426 /nfs/dbraw/zinc/46/74/26/1216467426.db2.gz KIPGZVNCSOXUDA-SOUVJXGZSA-N 2 2 365.478 0.679 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622745 1216468013 /nfs/dbraw/zinc/46/80/13/1216468013.db2.gz XOZDOTLXFGOXHC-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622745 1216468022 /nfs/dbraw/zinc/46/80/22/1216468022.db2.gz XOZDOTLXFGOXHC-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)o1 ZINC001051834208 1216484487 /nfs/dbraw/zinc/48/44/87/1216484487.db2.gz JMAMUMAJTQICCJ-ARFHVFGLSA-N 2 2 359.430 0.837 20 0 FCADLP Cn1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)cn1 ZINC001051833994 1216485371 /nfs/dbraw/zinc/48/53/71/1216485371.db2.gz CRIGWRFMRCBPFD-ARFHVFGLSA-N 2 2 358.446 0.274 20 0 FCADLP CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489896 1216562321 /nfs/dbraw/zinc/56/23/21/1216562321.db2.gz QQBXGAGXPUDEAT-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489896 1216562325 /nfs/dbraw/zinc/56/23/25/1216562325.db2.gz QQBXGAGXPUDEAT-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489896 1216562330 /nfs/dbraw/zinc/56/23/30/1216562330.db2.gz QQBXGAGXPUDEAT-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489896 1216562332 /nfs/dbraw/zinc/56/23/32/1216562332.db2.gz QQBXGAGXPUDEAT-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962511 1216869883 /nfs/dbraw/zinc/86/98/83/1216869883.db2.gz ZYJVJKTUUHDUIV-UAGQMJEPSA-N 2 2 357.462 0.879 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962511 1216869885 /nfs/dbraw/zinc/86/98/85/1216869885.db2.gz ZYJVJKTUUHDUIV-UAGQMJEPSA-N 2 2 357.462 0.879 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963168 1216870247 /nfs/dbraw/zinc/87/02/47/1216870247.db2.gz BDVSUNIZJUHIAQ-UAGQMJEPSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963168 1216870250 /nfs/dbraw/zinc/87/02/50/1216870250.db2.gz BDVSUNIZJUHIAQ-UAGQMJEPSA-N 2 2 357.462 0.735 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001069964170 1216871006 /nfs/dbraw/zinc/87/10/06/1216871006.db2.gz YWMYJIBBLPDHFL-OAGGEKHMSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001069964170 1216871007 /nfs/dbraw/zinc/87/10/07/1216871007.db2.gz YWMYJIBBLPDHFL-OAGGEKHMSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963933 1216871266 /nfs/dbraw/zinc/87/12/66/1216871266.db2.gz UQBYSWMLOGZRKX-IMJJTQAJSA-N 2 2 361.425 0.438 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963933 1216871267 /nfs/dbraw/zinc/87/12/67/1216871267.db2.gz UQBYSWMLOGZRKX-IMJJTQAJSA-N 2 2 361.425 0.438 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964192 1216871287 /nfs/dbraw/zinc/87/12/87/1216871287.db2.gz ZMHBFEZURSTEGW-OAGGEKHMSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964192 1216871290 /nfs/dbraw/zinc/87/12/90/1216871290.db2.gz ZMHBFEZURSTEGW-OAGGEKHMSA-N 2 2 357.462 0.735 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)no1 ZINC001069965737 1216872321 /nfs/dbraw/zinc/87/23/21/1216872321.db2.gz CRQMBJODJQUGST-CABCVRRESA-N 2 2 365.413 0.343 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)no1 ZINC001069965737 1216872323 /nfs/dbraw/zinc/87/23/23/1216872323.db2.gz CRQMBJODJQUGST-CABCVRRESA-N 2 2 365.413 0.343 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070027216 1216905906 /nfs/dbraw/zinc/90/59/06/1216905906.db2.gz SAJRVTXPFZUSSQ-ANQUJSFKSA-N 2 2 357.462 0.813 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070027216 1216905909 /nfs/dbraw/zinc/90/59/09/1216905909.db2.gz SAJRVTXPFZUSSQ-ANQUJSFKSA-N 2 2 357.462 0.813 20 0 FCADLP COCCOC[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276913682 1225728467 /nfs/dbraw/zinc/72/84/67/1225728467.db2.gz GNKBYKULNXPRIT-LJQANCHMSA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276913682 1225728469 /nfs/dbraw/zinc/72/84/69/1225728469.db2.gz GNKBYKULNXPRIT-LJQANCHMSA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276913682 1225728470 /nfs/dbraw/zinc/72/84/70/1225728470.db2.gz GNKBYKULNXPRIT-LJQANCHMSA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276913682 1225728471 /nfs/dbraw/zinc/72/84/71/1225728471.db2.gz GNKBYKULNXPRIT-LJQANCHMSA-N 2 2 368.522 0.169 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223722851 1225730799 /nfs/dbraw/zinc/73/07/99/1225730799.db2.gz ZIUNIEYUZVDRTM-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223722851 1225730806 /nfs/dbraw/zinc/73/08/06/1225730806.db2.gz ZIUNIEYUZVDRTM-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223726869 1225730917 /nfs/dbraw/zinc/73/09/17/1225730917.db2.gz QJGXDYVQQSZEQS-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223726869 1225730919 /nfs/dbraw/zinc/73/09/19/1225730919.db2.gz QJGXDYVQQSZEQS-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001042026663 1217379674 /nfs/dbraw/zinc/37/96/74/1217379674.db2.gz ILURGIAZQCPZJT-IUODEOHRSA-N 2 2 357.462 0.646 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912766 1225746036 /nfs/dbraw/zinc/74/60/36/1225746036.db2.gz ZXFWQMCEZSKZAJ-UXLLHSPISA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912766 1225746040 /nfs/dbraw/zinc/74/60/40/1225746040.db2.gz ZXFWQMCEZSKZAJ-UXLLHSPISA-N 2 2 361.490 0.800 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)cc(C)[nH+]1 ZINC001043678001 1217702932 /nfs/dbraw/zinc/70/29/32/1217702932.db2.gz LMXXKSWJQVOINS-HRCADAONSA-N 2 2 359.474 0.858 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)cc(C)[nH+]1 ZINC001043678001 1217702934 /nfs/dbraw/zinc/70/29/34/1217702934.db2.gz LMXXKSWJQVOINS-HRCADAONSA-N 2 2 359.474 0.858 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)Cn4c[nH+]cc4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043769556 1217738280 /nfs/dbraw/zinc/73/82/80/1217738280.db2.gz JKOSHDYFNBULNT-DLBZAZTESA-N 2 2 370.457 0.969 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044192087 1217815384 /nfs/dbraw/zinc/81/53/84/1217815384.db2.gz SBGSOXBKQFJVFM-PMPSAXMXSA-N 2 2 361.490 0.886 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044192087 1217815385 /nfs/dbraw/zinc/81/53/85/1217815385.db2.gz SBGSOXBKQFJVFM-PMPSAXMXSA-N 2 2 361.490 0.886 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001224307108 1225771815 /nfs/dbraw/zinc/77/18/15/1225771815.db2.gz VLAZEKYVZZBIDY-WBVHZDCISA-N 2 2 359.474 0.817 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001224307108 1225771823 /nfs/dbraw/zinc/77/18/23/1225771823.db2.gz VLAZEKYVZZBIDY-WBVHZDCISA-N 2 2 359.474 0.817 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001045041854 1217895629 /nfs/dbraw/zinc/89/56/29/1217895629.db2.gz ZSNCAIKHBILOLJ-DZKIICNBSA-N 2 2 369.473 0.742 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001045041854 1217895632 /nfs/dbraw/zinc/89/56/32/1217895632.db2.gz ZSNCAIKHBILOLJ-DZKIICNBSA-N 2 2 369.473 0.742 20 0 FCADLP Cn1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1=O ZINC001045075428 1217898008 /nfs/dbraw/zinc/89/80/08/1217898008.db2.gz BXBJJMWZCSEXMN-ARFHVFGLSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1=O ZINC001045075428 1217898010 /nfs/dbraw/zinc/89/80/10/1217898010.db2.gz BXBJJMWZCSEXMN-ARFHVFGLSA-N 2 2 355.442 0.993 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1C ZINC001045090312 1217898783 /nfs/dbraw/zinc/89/87/83/1217898783.db2.gz YYSADBITZDRNRZ-QLFBSQMISA-N 2 2 364.494 0.177 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1C ZINC001045090312 1217898784 /nfs/dbraw/zinc/89/87/84/1217898784.db2.gz YYSADBITZDRNRZ-QLFBSQMISA-N 2 2 364.494 0.177 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045091288 1217899314 /nfs/dbraw/zinc/89/93/14/1217899314.db2.gz SPQVVQOYCLNUSA-OWCLPIDISA-N 2 2 364.494 0.659 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045091288 1217899318 /nfs/dbraw/zinc/89/93/18/1217899318.db2.gz SPQVVQOYCLNUSA-OWCLPIDISA-N 2 2 364.494 0.659 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)C2 ZINC001096019488 1217921193 /nfs/dbraw/zinc/92/11/93/1217921193.db2.gz KMLYACIWCOZXKY-LMSBXDPUSA-N 2 2 369.473 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)C2 ZINC001096019488 1217921196 /nfs/dbraw/zinc/92/11/96/1217921196.db2.gz KMLYACIWCOZXKY-LMSBXDPUSA-N 2 2 369.473 0.767 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045479227 1217932638 /nfs/dbraw/zinc/93/26/38/1217932638.db2.gz XWTHQPSFQQZHSD-IJEWVQPXSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045479227 1217932643 /nfs/dbraw/zinc/93/26/43/1217932643.db2.gz XWTHQPSFQQZHSD-IJEWVQPXSA-N 2 2 366.506 0.343 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH+](CCn2cncn2)CC1 ZINC001045561685 1217941326 /nfs/dbraw/zinc/94/13/26/1217941326.db2.gz XOVQGRZWOZSERP-HUUCEWRRSA-N 2 2 357.462 0.786 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2cnnn2C)O1 ZINC001045802431 1217961287 /nfs/dbraw/zinc/96/12/87/1217961287.db2.gz BZCHWBVFAOLYMJ-PNBKFKSVSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2cnnn2C)O1 ZINC001045802431 1217961290 /nfs/dbraw/zinc/96/12/90/1217961290.db2.gz BZCHWBVFAOLYMJ-PNBKFKSVSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnnn2C)O1 ZINC001045802431 1217961294 /nfs/dbraw/zinc/96/12/94/1217961294.db2.gz BZCHWBVFAOLYMJ-PNBKFKSVSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnnn2C)O1 ZINC001045802431 1217961296 /nfs/dbraw/zinc/96/12/96/1217961296.db2.gz BZCHWBVFAOLYMJ-PNBKFKSVSA-N 2 2 362.478 0.100 20 0 FCADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1NC(N)=O ZINC000900693653 1218025666 /nfs/dbraw/zinc/02/56/66/1218025666.db2.gz ZKSWPMODIYOJRW-UHFFFAOYSA-N 2 2 364.494 0.825 20 0 FCADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1NC(N)=O ZINC000900693653 1218025670 /nfs/dbraw/zinc/02/56/70/1218025670.db2.gz ZKSWPMODIYOJRW-UHFFFAOYSA-N 2 2 364.494 0.825 20 0 FCADLP CCN(C)C(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224582837 1225785321 /nfs/dbraw/zinc/78/53/21/1225785321.db2.gz CVDSBEGPRCFHEM-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001096090677 1218029100 /nfs/dbraw/zinc/02/91/00/1218029100.db2.gz OWLWZKUDNBLDPO-QPSCCSFWSA-N 2 2 373.457 0.533 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001096090677 1218029103 /nfs/dbraw/zinc/02/91/03/1218029103.db2.gz OWLWZKUDNBLDPO-QPSCCSFWSA-N 2 2 373.457 0.533 20 0 FCADLP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1C[N@H+](C)CCN1C ZINC000900800796 1218039320 /nfs/dbraw/zinc/03/93/20/1218039320.db2.gz AYNHFXOQWKFNKO-DOMZBBRYSA-N 2 2 359.478 0.398 20 0 FCADLP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800796 1218039323 /nfs/dbraw/zinc/03/93/23/1218039323.db2.gz AYNHFXOQWKFNKO-DOMZBBRYSA-N 2 2 359.478 0.398 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815369 1218042200 /nfs/dbraw/zinc/04/22/00/1218042200.db2.gz IRGYGQRTDHTTIU-MMTROXRISA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815369 1218042203 /nfs/dbraw/zinc/04/22/03/1218042203.db2.gz IRGYGQRTDHTTIU-MMTROXRISA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900815369 1218042204 /nfs/dbraw/zinc/04/22/04/1218042204.db2.gz IRGYGQRTDHTTIU-MMTROXRISA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900815369 1218042209 /nfs/dbraw/zinc/04/22/09/1218042209.db2.gz IRGYGQRTDHTTIU-MMTROXRISA-N 2 2 361.486 0.847 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842011 1218044991 /nfs/dbraw/zinc/04/49/91/1218044991.db2.gz GBEMIRSGEQUJNL-SJORKVTESA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842011 1218044999 /nfs/dbraw/zinc/04/49/99/1218044999.db2.gz GBEMIRSGEQUJNL-SJORKVTESA-N 2 2 367.490 0.442 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc2)CC1 ZINC000901343483 1218117550 /nfs/dbraw/zinc/11/75/50/1218117550.db2.gz CQFROCQRJUWLFS-ICSRJNTNSA-N 2 2 374.485 0.744 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc2)CC1 ZINC000901343483 1218117554 /nfs/dbraw/zinc/11/75/54/1218117554.db2.gz CQFROCQRJUWLFS-ICSRJNTNSA-N 2 2 374.485 0.744 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047426900 1218142519 /nfs/dbraw/zinc/14/25/19/1218142519.db2.gz LZEYSLOYYOJQCU-PWBULWKKSA-N 2 2 366.462 0.014 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047426900 1218142521 /nfs/dbraw/zinc/14/25/21/1218142521.db2.gz LZEYSLOYYOJQCU-PWBULWKKSA-N 2 2 366.462 0.014 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047426900 1218142522 /nfs/dbraw/zinc/14/25/22/1218142522.db2.gz LZEYSLOYYOJQCU-PWBULWKKSA-N 2 2 366.462 0.014 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047426900 1218142525 /nfs/dbraw/zinc/14/25/25/1218142525.db2.gz LZEYSLOYYOJQCU-PWBULWKKSA-N 2 2 366.462 0.014 20 0 FCADLP Cc1cnc(C)nc1N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001096305520 1218230856 /nfs/dbraw/zinc/23/08/56/1218230856.db2.gz BVORJEPVNGEAGF-NVXWUHKLSA-N 2 2 360.506 0.672 20 0 FCADLP Cc1cnc(C)nc1N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001096305520 1218230861 /nfs/dbraw/zinc/23/08/61/1218230861.db2.gz BVORJEPVNGEAGF-NVXWUHKLSA-N 2 2 360.506 0.672 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048562623 1218287103 /nfs/dbraw/zinc/28/71/03/1218287103.db2.gz PLMBTVOMDMNYLP-RWHKXBQASA-N 2 2 359.474 0.757 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048562623 1218287106 /nfs/dbraw/zinc/28/71/06/1218287106.db2.gz PLMBTVOMDMNYLP-RWHKXBQASA-N 2 2 359.474 0.757 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001096435106 1218332298 /nfs/dbraw/zinc/33/22/98/1218332298.db2.gz UDWFKYUHYPESKP-OHFALNGGSA-N 2 2 358.446 0.240 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001096435106 1218332303 /nfs/dbraw/zinc/33/23/03/1218332303.db2.gz UDWFKYUHYPESKP-OHFALNGGSA-N 2 2 358.446 0.240 20 0 FCADLP COc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)on1 ZINC001048891312 1218335793 /nfs/dbraw/zinc/33/57/93/1218335793.db2.gz NPGXNSNDBQKQRH-HGTKMLMNSA-N 2 2 364.446 0.293 20 0 FCADLP COc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)on1 ZINC001048891312 1218335799 /nfs/dbraw/zinc/33/57/99/1218335799.db2.gz NPGXNSNDBQKQRH-HGTKMLMNSA-N 2 2 364.446 0.293 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)on1 ZINC001048891312 1218335805 /nfs/dbraw/zinc/33/58/05/1218335805.db2.gz NPGXNSNDBQKQRH-HGTKMLMNSA-N 2 2 364.446 0.293 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)on1 ZINC001048891312 1218335811 /nfs/dbraw/zinc/33/58/11/1218335811.db2.gz NPGXNSNDBQKQRH-HGTKMLMNSA-N 2 2 364.446 0.293 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068165 1218374348 /nfs/dbraw/zinc/37/43/48/1218374348.db2.gz LEIZVUJBKAGQLL-YALNPMBYSA-N 2 2 369.473 0.725 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068165 1218374352 /nfs/dbraw/zinc/37/43/52/1218374352.db2.gz LEIZVUJBKAGQLL-YALNPMBYSA-N 2 2 369.473 0.725 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068219 1218375199 /nfs/dbraw/zinc/37/51/99/1218375199.db2.gz NTJUPZUUANMVRL-BDLOOMQFSA-N 2 2 371.485 0.581 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068219 1218375205 /nfs/dbraw/zinc/37/52/05/1218375205.db2.gz NTJUPZUUANMVRL-BDLOOMQFSA-N 2 2 371.485 0.581 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067862 1218375348 /nfs/dbraw/zinc/37/53/48/1218375348.db2.gz AOOWYDYQYMSDMD-IBEHDNSVSA-N 2 2 359.474 0.391 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067862 1218375353 /nfs/dbraw/zinc/37/53/53/1218375353.db2.gz AOOWYDYQYMSDMD-IBEHDNSVSA-N 2 2 359.474 0.391 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(N)ccnc1F)C2 ZINC001277055599 1225815631 /nfs/dbraw/zinc/81/56/31/1225815631.db2.gz WATOUZHDGCMJEY-GOSISDBHSA-N 2 2 365.453 0.415 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(N)ccnc1F)C2 ZINC001277055599 1225815633 /nfs/dbraw/zinc/81/56/33/1225815633.db2.gz WATOUZHDGCMJEY-GOSISDBHSA-N 2 2 365.453 0.415 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001049244450 1218404600 /nfs/dbraw/zinc/40/46/00/1218404600.db2.gz HVHKCNGNHKVGFH-YCPHGPKFSA-N 2 2 369.473 0.742 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001049244450 1218404610 /nfs/dbraw/zinc/40/46/10/1218404610.db2.gz HVHKCNGNHKVGFH-YCPHGPKFSA-N 2 2 369.473 0.742 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2cncn2C)O1 ZINC001049547721 1218484024 /nfs/dbraw/zinc/48/40/24/1218484024.db2.gz FOEJGFYEYKCQOY-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2cncn2C)O1 ZINC001049547721 1218484035 /nfs/dbraw/zinc/48/40/35/1218484035.db2.gz FOEJGFYEYKCQOY-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cncn2C)O1 ZINC001049547721 1218484043 /nfs/dbraw/zinc/48/40/43/1218484043.db2.gz FOEJGFYEYKCQOY-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cncn2C)O1 ZINC001049547721 1218484051 /nfs/dbraw/zinc/48/40/51/1218484051.db2.gz FOEJGFYEYKCQOY-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549486 1218484694 /nfs/dbraw/zinc/48/46/94/1218484694.db2.gz QAIFAOPHQWZBSK-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549486 1218484699 /nfs/dbraw/zinc/48/46/99/1218484699.db2.gz QAIFAOPHQWZBSK-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)N2CCC2)O1 ZINC001049549486 1218484702 /nfs/dbraw/zinc/48/47/02/1218484702.db2.gz QAIFAOPHQWZBSK-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)N2CCC2)O1 ZINC001049549486 1218484707 /nfs/dbraw/zinc/48/47/07/1218484707.db2.gz QAIFAOPHQWZBSK-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](Cc3cnnn3C)CC2)C1=O ZINC001277073007 1225824798 /nfs/dbraw/zinc/82/47/98/1225824798.db2.gz XJJMVDONSBENBO-SFHVURJKSA-N 2 2 357.462 0.953 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](Cc3cnnn3C)CC2)C1=O ZINC001277073007 1225824799 /nfs/dbraw/zinc/82/47/99/1225824799.db2.gz XJJMVDONSBENBO-SFHVURJKSA-N 2 2 357.462 0.953 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225968865 1225829434 /nfs/dbraw/zinc/82/94/34/1225829434.db2.gz AOUAYECLVYTQSO-JHJVBQTASA-N 2 2 364.450 0.203 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001096584831 1218570331 /nfs/dbraw/zinc/57/03/31/1218570331.db2.gz YIZLJNIPDHRAMP-OWSLCNJRSA-N 2 2 361.490 0.671 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001096584831 1218570336 /nfs/dbraw/zinc/57/03/36/1218570336.db2.gz YIZLJNIPDHRAMP-OWSLCNJRSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cn(C)nc2C)C1 ZINC001096584831 1218570339 /nfs/dbraw/zinc/57/03/39/1218570339.db2.gz YIZLJNIPDHRAMP-OWSLCNJRSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cn(C)nc2C)C1 ZINC001096584831 1218570341 /nfs/dbraw/zinc/57/03/41/1218570341.db2.gz YIZLJNIPDHRAMP-OWSLCNJRSA-N 2 2 361.490 0.671 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)cc1 ZINC001096652173 1218592272 /nfs/dbraw/zinc/59/22/72/1218592272.db2.gz HFEIFOZPNNQPKA-IKGGRYGDSA-N 2 2 353.426 0.904 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)cc1 ZINC001096652173 1218592280 /nfs/dbraw/zinc/59/22/80/1218592280.db2.gz HFEIFOZPNNQPKA-IKGGRYGDSA-N 2 2 353.426 0.904 20 0 FCADLP CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085999 1218685209 /nfs/dbraw/zinc/68/52/09/1218685209.db2.gz SRGHLHLVHPSHSJ-DDBAPUKQSA-N 2 2 358.490 0.861 20 0 FCADLP CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085999 1218685216 /nfs/dbraw/zinc/68/52/16/1218685216.db2.gz SRGHLHLVHPSHSJ-DDBAPUKQSA-N 2 2 358.490 0.861 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097213116 1218721560 /nfs/dbraw/zinc/72/15/60/1218721560.db2.gz AWUHBAKYSCLVPQ-DDBAPUKQSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097213116 1218721568 /nfs/dbraw/zinc/72/15/68/1218721568.db2.gz AWUHBAKYSCLVPQ-DDBAPUKQSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)C1 ZINC001097213116 1218721572 /nfs/dbraw/zinc/72/15/72/1218721572.db2.gz AWUHBAKYSCLVPQ-DDBAPUKQSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)C1 ZINC001097213116 1218721577 /nfs/dbraw/zinc/72/15/77/1218721577.db2.gz AWUHBAKYSCLVPQ-DDBAPUKQSA-N 2 2 362.518 0.964 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)c[nH+]1 ZINC001097317768 1218774062 /nfs/dbraw/zinc/77/40/62/1218774062.db2.gz GOIJZNBJWUONNR-OAGGEKHMSA-N 2 2 374.489 0.673 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)c[nH+]1 ZINC001097317768 1218774066 /nfs/dbraw/zinc/77/40/66/1218774066.db2.gz GOIJZNBJWUONNR-OAGGEKHMSA-N 2 2 374.489 0.673 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001097556303 1218818440 /nfs/dbraw/zinc/81/84/40/1218818440.db2.gz SXKDEHLKKQEIQD-LFVTVUPYSA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001097556303 1218818441 /nfs/dbraw/zinc/81/84/41/1218818441.db2.gz SXKDEHLKKQEIQD-LFVTVUPYSA-N 2 2 371.485 0.762 20 0 FCADLP Cc1nccc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736342 1218861912 /nfs/dbraw/zinc/86/19/12/1218861912.db2.gz DTNCALRHXDEGPW-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1nccc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736342 1218861913 /nfs/dbraw/zinc/86/19/13/1218861913.db2.gz DTNCALRHXDEGPW-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1ccc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)nn1 ZINC001052736479 1218862021 /nfs/dbraw/zinc/86/20/21/1218862021.db2.gz GDMLEFLWQPRTAU-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1ccc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)nn1 ZINC001052736479 1218862022 /nfs/dbraw/zinc/86/20/22/1218862022.db2.gz GDMLEFLWQPRTAU-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001055052020 1218983486 /nfs/dbraw/zinc/98/34/86/1218983486.db2.gz UAXGVSVPNFDDOG-KBMXLJTQSA-N 2 2 369.473 0.931 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001055488682 1219059237 /nfs/dbraw/zinc/05/92/37/1219059237.db2.gz WXJZHGORFDGXLF-HZPDHXFCSA-N 2 2 359.474 0.630 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075720 1219142662 /nfs/dbraw/zinc/14/26/62/1219142662.db2.gz BIJBLUIZGRNIOG-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075720 1219142665 /nfs/dbraw/zinc/14/26/65/1219142665.db2.gz BIJBLUIZGRNIOG-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075720 1219142669 /nfs/dbraw/zinc/14/26/69/1219142669.db2.gz BIJBLUIZGRNIOG-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075720 1219142673 /nfs/dbraw/zinc/14/26/73/1219142673.db2.gz BIJBLUIZGRNIOG-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001070156585 1219240208 /nfs/dbraw/zinc/24/02/08/1219240208.db2.gz MDVIUNPVUCOYCA-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001070156585 1219240214 /nfs/dbraw/zinc/24/02/14/1219240214.db2.gz MDVIUNPVUCOYCA-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)no1 ZINC001070158583 1219245787 /nfs/dbraw/zinc/24/57/87/1219245787.db2.gz QMRHAYTVITZHPA-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)no1 ZINC001070158583 1219245795 /nfs/dbraw/zinc/24/57/95/1219245795.db2.gz QMRHAYTVITZHPA-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001227673257 1225881521 /nfs/dbraw/zinc/88/15/21/1225881521.db2.gz MEYZNXNKKVSJNC-BZUAXINKSA-N 2 2 361.490 0.991 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001070222481 1219304044 /nfs/dbraw/zinc/30/40/44/1219304044.db2.gz MJTBATQLNBEHDC-XKQJLSEDSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070222481 1219304049 /nfs/dbraw/zinc/30/40/49/1219304049.db2.gz MJTBATQLNBEHDC-XKQJLSEDSA-N 2 2 357.462 0.866 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001070327943 1219378218 /nfs/dbraw/zinc/37/82/18/1219378218.db2.gz KSSMDQKBAFOSKH-OIISXLGYSA-N 2 2 370.461 0.267 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839742 1225888109 /nfs/dbraw/zinc/88/81/09/1225888109.db2.gz GKEYPBQENIYGKV-BRWVUGGUSA-N 2 2 368.478 0.314 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839562 1225888152 /nfs/dbraw/zinc/88/81/52/1225888152.db2.gz DZZIAMQBUHVUBI-HZPDHXFCSA-N 2 2 365.478 0.443 20 0 FCADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070337245 1219385853 /nfs/dbraw/zinc/38/58/53/1219385853.db2.gz VAJNVQSIXCKULZ-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2[NH2+]CCF)c1 ZINC001070506648 1219444307 /nfs/dbraw/zinc/44/43/07/1219444307.db2.gz LAKQPWUIXTWQNI-JLJPHGGASA-N 2 2 360.437 0.733 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001070534868 1219457831 /nfs/dbraw/zinc/45/78/31/1219457831.db2.gz RLLPCCAZNIQTFH-UAGQMJEPSA-N 2 2 371.489 0.635 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070570349 1219474156 /nfs/dbraw/zinc/47/41/56/1219474156.db2.gz KMRJWTGDQMGZJV-GOEBONIOSA-N 2 2 369.429 0.697 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001070572906 1219475391 /nfs/dbraw/zinc/47/53/91/1219475391.db2.gz QFGFTWKOCUYVMR-SOUVJXGZSA-N 2 2 362.478 0.735 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001070572906 1219475394 /nfs/dbraw/zinc/47/53/94/1219475394.db2.gz QFGFTWKOCUYVMR-SOUVJXGZSA-N 2 2 362.478 0.735 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070719333 1219541699 /nfs/dbraw/zinc/54/16/99/1219541699.db2.gz ZWMNLFKVMRBTCP-BZUAXINKSA-N 2 2 369.473 0.246 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070719333 1219541703 /nfs/dbraw/zinc/54/17/03/1219541703.db2.gz ZWMNLFKVMRBTCP-BZUAXINKSA-N 2 2 369.473 0.246 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916584 1219570990 /nfs/dbraw/zinc/57/09/90/1219570990.db2.gz QMVWBTPUFPYSMI-XHSDSOJGSA-N 2 2 361.446 0.789 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916584 1219570997 /nfs/dbraw/zinc/57/09/97/1219570997.db2.gz QMVWBTPUFPYSMI-XHSDSOJGSA-N 2 2 361.446 0.789 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001070924804 1219582749 /nfs/dbraw/zinc/58/27/49/1219582749.db2.gz SWHASGPPZYDLMY-OAGGEKHMSA-N 2 2 361.446 0.706 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001070924804 1219582752 /nfs/dbraw/zinc/58/27/52/1219582752.db2.gz SWHASGPPZYDLMY-OAGGEKHMSA-N 2 2 361.446 0.706 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001071107960 1219609125 /nfs/dbraw/zinc/60/91/25/1219609125.db2.gz VHQXUYFJVQDVTM-INMHGKMJSA-N 2 2 363.462 0.133 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001072994580 1219629888 /nfs/dbraw/zinc/62/98/88/1219629888.db2.gz IJPBJDZIXWSFEB-RBSFLKMASA-N 2 2 357.458 0.337 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001072994580 1219629892 /nfs/dbraw/zinc/62/98/92/1219629892.db2.gz IJPBJDZIXWSFEB-RBSFLKMASA-N 2 2 357.458 0.337 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC1CC1)C2 ZINC001072994715 1219630914 /nfs/dbraw/zinc/63/09/14/1219630914.db2.gz OIGQOHVAKPHXAW-HUUCEWRRSA-N 2 2 357.458 0.337 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC1CC1)C2 ZINC001072994715 1219630916 /nfs/dbraw/zinc/63/09/16/1219630916.db2.gz OIGQOHVAKPHXAW-HUUCEWRRSA-N 2 2 357.458 0.337 20 0 FCADLP Cc1nocc1C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660362 1219675083 /nfs/dbraw/zinc/67/50/83/1219675083.db2.gz BQBAKAJGENCIMM-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nocc1C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660362 1219675085 /nfs/dbraw/zinc/67/50/85/1219675085.db2.gz BQBAKAJGENCIMM-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nocc1C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660362 1219675089 /nfs/dbraw/zinc/67/50/89/1219675089.db2.gz BQBAKAJGENCIMM-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nocc1C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660362 1219675092 /nfs/dbraw/zinc/67/50/92/1219675092.db2.gz BQBAKAJGENCIMM-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001228342341 1225912709 /nfs/dbraw/zinc/91/27/09/1225912709.db2.gz YRTRPTAUBQMAEP-ZACQAIPSSA-N 2 2 365.478 0.510 20 0 FCADLP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001228342341 1225912713 /nfs/dbraw/zinc/91/27/13/1225912713.db2.gz YRTRPTAUBQMAEP-ZACQAIPSSA-N 2 2 365.478 0.510 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2cnn(C)c2)O1 ZINC001074029902 1219683419 /nfs/dbraw/zinc/68/34/19/1219683419.db2.gz AMNXJKLARUURJW-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2cnn(C)c2)O1 ZINC001074029902 1219683421 /nfs/dbraw/zinc/68/34/21/1219683421.db2.gz AMNXJKLARUURJW-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2cnn(C)c2)O1 ZINC001074029902 1219683423 /nfs/dbraw/zinc/68/34/23/1219683423.db2.gz AMNXJKLARUURJW-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2cnn(C)c2)O1 ZINC001074029902 1219683425 /nfs/dbraw/zinc/68/34/25/1219683425.db2.gz AMNXJKLARUURJW-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001098221450 1219743152 /nfs/dbraw/zinc/74/31/52/1219743152.db2.gz XKPXUHRRESJIDI-XOUADPBQSA-N 2 2 355.446 0.463 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001098221450 1219743156 /nfs/dbraw/zinc/74/31/56/1219743156.db2.gz XKPXUHRRESJIDI-XOUADPBQSA-N 2 2 355.446 0.463 20 0 FCADLP CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482477 1219794072 /nfs/dbraw/zinc/79/40/72/1219794072.db2.gz IXUNGSJDBBCZKX-IAGOWNOFSA-N 2 2 364.490 0.845 20 0 FCADLP CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482477 1219794076 /nfs/dbraw/zinc/79/40/76/1219794076.db2.gz IXUNGSJDBBCZKX-IAGOWNOFSA-N 2 2 364.490 0.845 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@H]1CCn2c[nH+]cc2C1 ZINC001098909084 1219859117 /nfs/dbraw/zinc/85/91/17/1219859117.db2.gz MEHQNTFLLCZMOS-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@H]1CCn2c[nH+]cc2C1 ZINC001098909084 1219859120 /nfs/dbraw/zinc/85/91/20/1219859120.db2.gz MEHQNTFLLCZMOS-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122813 1219921116 /nfs/dbraw/zinc/92/11/16/1219921116.db2.gz GFALPJBQSAQPCP-GLJUWKHASA-N 2 2 359.478 0.338 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122813 1219921120 /nfs/dbraw/zinc/92/11/20/1219921120.db2.gz GFALPJBQSAQPCP-GLJUWKHASA-N 2 2 359.478 0.338 20 0 FCADLP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C(F)(F)F)cn1 ZINC001099312822 1219965887 /nfs/dbraw/zinc/96/58/87/1219965887.db2.gz ITJUHPLDXPUZGA-ZIAGYGMSSA-N 2 2 370.379 0.907 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001099470073 1220006615 /nfs/dbraw/zinc/00/66/15/1220006615.db2.gz OWBZRYMYMPVCPT-KHYOSLBOSA-N 2 2 359.474 0.460 20 0 FCADLP CCn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)n1 ZINC001099505275 1220017812 /nfs/dbraw/zinc/01/78/12/1220017812.db2.gz FYOSJUOPXCNNQQ-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2)c1nnnn1C ZINC001099519626 1220020599 /nfs/dbraw/zinc/02/05/99/1220020599.db2.gz GGTPAQPRMLILQI-IGCXYCKISA-N 2 2 358.450 0.455 20 0 FCADLP CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)C1=O ZINC001099519799 1220021669 /nfs/dbraw/zinc/02/16/69/1220021669.db2.gz JSXUTWDCJOVDCF-DOXZYTNZSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)on1 ZINC001228800006 1225951558 /nfs/dbraw/zinc/95/15/58/1225951558.db2.gz DCAUFXNLYPHZFT-ZIAGYGMSSA-N 2 2 360.418 0.904 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187528 1220216971 /nfs/dbraw/zinc/21/69/71/1220216971.db2.gz RQCSSTUNCUAQGA-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187528 1220216972 /nfs/dbraw/zinc/21/69/72/1220216972.db2.gz RQCSSTUNCUAQGA-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187528 1220216973 /nfs/dbraw/zinc/21/69/73/1220216973.db2.gz RQCSSTUNCUAQGA-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187528 1220216974 /nfs/dbraw/zinc/21/69/74/1220216974.db2.gz RQCSSTUNCUAQGA-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801179 1225951804 /nfs/dbraw/zinc/95/18/04/1225951804.db2.gz UWFCGOSZYVDYSG-FVQBIDKESA-N 2 2 365.478 0.510 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001101257299 1220251098 /nfs/dbraw/zinc/25/10/98/1220251098.db2.gz OAPKMZIBSOFMKL-KYJSFNMBSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001101257299 1220251103 /nfs/dbraw/zinc/25/11/03/1220251103.db2.gz OAPKMZIBSOFMKL-KYJSFNMBSA-N 2 2 366.485 0.775 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101277748 1220263411 /nfs/dbraw/zinc/26/34/11/1220263411.db2.gz WUUVURJQIASFOI-APWZRJJASA-N 2 2 363.458 0.422 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101277748 1220263415 /nfs/dbraw/zinc/26/34/15/1220263415.db2.gz WUUVURJQIASFOI-APWZRJJASA-N 2 2 363.458 0.422 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001101277306 1220263629 /nfs/dbraw/zinc/26/36/29/1220263629.db2.gz BGCLJVILZHWVMY-BEFAXECRSA-N 2 2 361.490 0.843 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001101277306 1220263633 /nfs/dbraw/zinc/26/36/33/1220263633.db2.gz BGCLJVILZHWVMY-BEFAXECRSA-N 2 2 361.490 0.843 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101284982 1220266753 /nfs/dbraw/zinc/26/67/53/1220266753.db2.gz JJQHOUNEBZLRNV-ACJLOTCBSA-N 2 2 364.494 0.119 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101284982 1220266758 /nfs/dbraw/zinc/26/67/58/1220266758.db2.gz JJQHOUNEBZLRNV-ACJLOTCBSA-N 2 2 364.494 0.119 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101284982 1220266762 /nfs/dbraw/zinc/26/67/62/1220266762.db2.gz JJQHOUNEBZLRNV-ACJLOTCBSA-N 2 2 364.494 0.119 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@]2(C)C1 ZINC001101284982 1220266767 /nfs/dbraw/zinc/26/67/67/1220266767.db2.gz JJQHOUNEBZLRNV-ACJLOTCBSA-N 2 2 364.494 0.119 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101300199 1220276900 /nfs/dbraw/zinc/27/69/00/1220276900.db2.gz NAELDOSVSZGRPK-APWZRJJASA-N 2 2 361.490 0.744 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101300199 1220276904 /nfs/dbraw/zinc/27/69/04/1220276904.db2.gz NAELDOSVSZGRPK-APWZRJJASA-N 2 2 361.490 0.744 20 0 FCADLP CC[N@H+](C)[C@H](C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428553 1220338393 /nfs/dbraw/zinc/33/83/93/1220338393.db2.gz GKRLVWRXRWMOMP-KPFFTGBYSA-N 2 2 358.486 0.945 20 0 FCADLP CC[N@@H+](C)[C@H](C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428553 1220338396 /nfs/dbraw/zinc/33/83/96/1220338396.db2.gz GKRLVWRXRWMOMP-KPFFTGBYSA-N 2 2 358.486 0.945 20 0 FCADLP CC[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428553 1220338401 /nfs/dbraw/zinc/33/84/01/1220338401.db2.gz GKRLVWRXRWMOMP-KPFFTGBYSA-N 2 2 358.486 0.945 20 0 FCADLP CC[NH+](C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428553 1220338404 /nfs/dbraw/zinc/33/84/04/1220338404.db2.gz GKRLVWRXRWMOMP-KPFFTGBYSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC001101487917 1220371803 /nfs/dbraw/zinc/37/18/03/1220371803.db2.gz AFQXWRXUSOFTJK-AOIWGVFYSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC001101487917 1220371809 /nfs/dbraw/zinc/37/18/09/1220371809.db2.gz AFQXWRXUSOFTJK-AOIWGVFYSA-N 2 2 362.474 0.859 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC(N)=O)CC1 ZINC001101576040 1220378374 /nfs/dbraw/zinc/37/83/74/1220378374.db2.gz SNXZNDKMDIUVJJ-HUUCEWRRSA-N 2 2 361.490 0.863 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986764 1220453504 /nfs/dbraw/zinc/45/35/04/1220453504.db2.gz KIDAGEUXDBLCGA-RBSFLKMASA-N 2 2 361.490 0.581 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986764 1220453510 /nfs/dbraw/zinc/45/35/10/1220453510.db2.gz KIDAGEUXDBLCGA-RBSFLKMASA-N 2 2 361.490 0.581 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104334 1220496883 /nfs/dbraw/zinc/49/68/83/1220496883.db2.gz PQFWKDIPRGOWHR-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104334 1220496889 /nfs/dbraw/zinc/49/68/89/1220496889.db2.gz PQFWKDIPRGOWHR-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102106460 1220497468 /nfs/dbraw/zinc/49/74/68/1220497468.db2.gz OQBFXPJLAWGFAW-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102106460 1220497470 /nfs/dbraw/zinc/49/74/70/1220497470.db2.gz OQBFXPJLAWGFAW-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1C ZINC001102156246 1220528746 /nfs/dbraw/zinc/52/87/46/1220528746.db2.gz OQSZORIPXPFNNW-UKRRQHHQSA-N 2 2 359.478 0.767 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1C ZINC001102156246 1220528753 /nfs/dbraw/zinc/52/87/53/1220528753.db2.gz OQSZORIPXPFNNW-UKRRQHHQSA-N 2 2 359.478 0.767 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102175855 1220535545 /nfs/dbraw/zinc/53/55/45/1220535545.db2.gz UGCZPBBCYKASGY-BZUAXINKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102175855 1220535553 /nfs/dbraw/zinc/53/55/53/1220535553.db2.gz UGCZPBBCYKASGY-BZUAXINKSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102176920 1220536455 /nfs/dbraw/zinc/53/64/55/1220536455.db2.gz ALDDABZAIYWKTP-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102176920 1220536460 /nfs/dbraw/zinc/53/64/60/1220536460.db2.gz ALDDABZAIYWKTP-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP COCCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](C)C1 ZINC001102314367 1220583327 /nfs/dbraw/zinc/58/33/27/1220583327.db2.gz DLSOJDNUIDTEFE-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP COCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](C)C1 ZINC001102314367 1220583332 /nfs/dbraw/zinc/58/33/32/1220583332.db2.gz DLSOJDNUIDTEFE-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP COCCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](C)C1 ZINC001102314367 1220583336 /nfs/dbraw/zinc/58/33/36/1220583336.db2.gz DLSOJDNUIDTEFE-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP COCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](C)C1 ZINC001102314367 1220583341 /nfs/dbraw/zinc/58/33/41/1220583341.db2.gz DLSOJDNUIDTEFE-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102370237 1220595096 /nfs/dbraw/zinc/59/50/96/1220595096.db2.gz UXHLVGJAMCFGLC-RRFJBIMHSA-N 2 2 365.478 0.742 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102370237 1220595099 /nfs/dbraw/zinc/59/50/99/1220595099.db2.gz UXHLVGJAMCFGLC-RRFJBIMHSA-N 2 2 365.478 0.742 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102370237 1220595105 /nfs/dbraw/zinc/59/51/05/1220595105.db2.gz UXHLVGJAMCFGLC-RRFJBIMHSA-N 2 2 365.478 0.742 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@H](C)C2)n1 ZINC001102370237 1220595113 /nfs/dbraw/zinc/59/51/13/1220595113.db2.gz UXHLVGJAMCFGLC-RRFJBIMHSA-N 2 2 365.478 0.742 20 0 FCADLP Cc1nc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)no1 ZINC001102468459 1220638155 /nfs/dbraw/zinc/63/81/55/1220638155.db2.gz JSDSMRQJOJDAQS-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP Cc1nc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)no1 ZINC001102468459 1220638159 /nfs/dbraw/zinc/63/81/59/1220638159.db2.gz JSDSMRQJOJDAQS-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)[nH]1 ZINC001102468569 1220638760 /nfs/dbraw/zinc/63/87/60/1220638760.db2.gz ORRKZWLGWGAGAX-IJEWVQPXSA-N 2 2 364.494 0.581 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)[nH]1 ZINC001102468569 1220638762 /nfs/dbraw/zinc/63/87/62/1220638762.db2.gz ORRKZWLGWGAGAX-IJEWVQPXSA-N 2 2 364.494 0.581 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483139 1220648238 /nfs/dbraw/zinc/64/82/38/1220648238.db2.gz ZXQUFJLSMPNACG-ZIAGYGMSSA-N 2 2 364.494 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483139 1220648242 /nfs/dbraw/zinc/64/82/42/1220648242.db2.gz ZXQUFJLSMPNACG-ZIAGYGMSSA-N 2 2 364.494 0.734 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494238 1220656063 /nfs/dbraw/zinc/65/60/63/1220656063.db2.gz INXPHGVKHMYGRM-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494238 1220656064 /nfs/dbraw/zinc/65/60/64/1220656064.db2.gz INXPHGVKHMYGRM-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)c1nnnn1C ZINC001229142464 1225983318 /nfs/dbraw/zinc/98/33/18/1225983318.db2.gz UTSTVYQEKQTQHJ-RBSFLKMASA-N 2 2 365.482 0.010 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513041 1220671823 /nfs/dbraw/zinc/67/18/23/1220671823.db2.gz RAPVALAWSQTESH-GDBMZVCRSA-N 2 2 361.490 0.515 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513041 1220671828 /nfs/dbraw/zinc/67/18/28/1220671828.db2.gz RAPVALAWSQTESH-GDBMZVCRSA-N 2 2 361.490 0.515 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512981 1220672462 /nfs/dbraw/zinc/67/24/62/1220672462.db2.gz NZKYDQFAOSCNCX-OWCLPIDISA-N 2 2 363.506 0.807 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512981 1220672463 /nfs/dbraw/zinc/67/24/63/1220672463.db2.gz NZKYDQFAOSCNCX-OWCLPIDISA-N 2 2 363.506 0.807 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514361 1220674044 /nfs/dbraw/zinc/67/40/44/1220674044.db2.gz UVYCTULTZRLNGZ-RBSFLKMASA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514361 1220674046 /nfs/dbraw/zinc/67/40/46/1220674046.db2.gz UVYCTULTZRLNGZ-RBSFLKMASA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514361 1220674049 /nfs/dbraw/zinc/67/40/49/1220674049.db2.gz UVYCTULTZRLNGZ-RBSFLKMASA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514361 1220674051 /nfs/dbraw/zinc/67/40/51/1220674051.db2.gz UVYCTULTZRLNGZ-RBSFLKMASA-N 2 2 361.494 0.534 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102580135 1220704103 /nfs/dbraw/zinc/70/41/03/1220704103.db2.gz HNEMOUDDASPNMW-TZMCWYRMSA-N 2 2 361.450 0.525 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102580135 1220704111 /nfs/dbraw/zinc/70/41/11/1220704111.db2.gz HNEMOUDDASPNMW-TZMCWYRMSA-N 2 2 361.450 0.525 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603079 1220725614 /nfs/dbraw/zinc/72/56/14/1220725614.db2.gz PWGAIXGCNHFCGW-QGPMSJSTSA-N 2 2 361.490 0.505 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)[C@H](C)C1 ZINC001102603079 1220725618 /nfs/dbraw/zinc/72/56/18/1220725618.db2.gz PWGAIXGCNHFCGW-QGPMSJSTSA-N 2 2 361.490 0.505 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616521 1220735892 /nfs/dbraw/zinc/73/58/92/1220735892.db2.gz FWAUFFHQSSJFJS-OAGGEKHMSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616521 1220735898 /nfs/dbraw/zinc/73/58/98/1220735898.db2.gz FWAUFFHQSSJFJS-OAGGEKHMSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926768 1220808024 /nfs/dbraw/zinc/80/80/24/1220808024.db2.gz SXFIESQOBLBVOU-HZSPNIEDSA-N 2 2 360.466 0.701 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926768 1220808025 /nfs/dbraw/zinc/80/80/25/1220808025.db2.gz SXFIESQOBLBVOU-HZSPNIEDSA-N 2 2 360.466 0.701 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060269 1220826566 /nfs/dbraw/zinc/82/65/66/1220826566.db2.gz DFXXRTVZBGAHJD-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060269 1220826568 /nfs/dbraw/zinc/82/65/68/1220826568.db2.gz DFXXRTVZBGAHJD-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060269 1220826571 /nfs/dbraw/zinc/82/65/71/1220826571.db2.gz DFXXRTVZBGAHJD-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103060269 1220826572 /nfs/dbraw/zinc/82/65/72/1220826572.db2.gz DFXXRTVZBGAHJD-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103587 1220834316 /nfs/dbraw/zinc/83/43/16/1220834316.db2.gz OPGNYUWIYKPJNN-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103587 1220834318 /nfs/dbraw/zinc/83/43/18/1220834318.db2.gz OPGNYUWIYKPJNN-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103587 1220834319 /nfs/dbraw/zinc/83/43/19/1220834319.db2.gz OPGNYUWIYKPJNN-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103587 1220834322 /nfs/dbraw/zinc/83/43/22/1220834322.db2.gz OPGNYUWIYKPJNN-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)c[nH+]1 ZINC001103136543 1220838968 /nfs/dbraw/zinc/83/89/68/1220838968.db2.gz HYSIDSLLEAXDAW-BMFZPTHFSA-N 2 2 361.490 0.889 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)c[nH+]1 ZINC001103136543 1220838971 /nfs/dbraw/zinc/83/89/71/1220838971.db2.gz HYSIDSLLEAXDAW-BMFZPTHFSA-N 2 2 361.490 0.889 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138420 1220839241 /nfs/dbraw/zinc/83/92/41/1220839241.db2.gz KPTFVFCNRRKOFM-QLFBSQMISA-N 2 2 362.474 0.841 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138420 1220839243 /nfs/dbraw/zinc/83/92/43/1220839243.db2.gz KPTFVFCNRRKOFM-QLFBSQMISA-N 2 2 362.474 0.841 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159612 1220841688 /nfs/dbraw/zinc/84/16/88/1220841688.db2.gz QLTJTEDZUJLMOI-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159612 1220841693 /nfs/dbraw/zinc/84/16/93/1220841693.db2.gz QLTJTEDZUJLMOI-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](CC)CC ZINC001103427027 1220879973 /nfs/dbraw/zinc/87/99/73/1220879973.db2.gz YCAVYLZJIIPTOR-BZUAXINKSA-N 2 2 365.526 0.905 20 0 FCADLP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](CC)CC ZINC001103427027 1220879975 /nfs/dbraw/zinc/87/99/75/1220879975.db2.gz YCAVYLZJIIPTOR-BZUAXINKSA-N 2 2 365.526 0.905 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472327 1220887772 /nfs/dbraw/zinc/88/77/72/1220887772.db2.gz NTQCHPRFJKHUJN-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472327 1220887774 /nfs/dbraw/zinc/88/77/74/1220887774.db2.gz NTQCHPRFJKHUJN-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472557 1220887999 /nfs/dbraw/zinc/88/79/99/1220887999.db2.gz ZMZQDINNGCARSO-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472557 1220888002 /nfs/dbraw/zinc/88/80/02/1220888002.db2.gz ZMZQDINNGCARSO-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605879 1220912176 /nfs/dbraw/zinc/91/21/76/1220912176.db2.gz ZJUBRIGPRUJHGQ-QLFBSQMISA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605879 1220912179 /nfs/dbraw/zinc/91/21/79/1220912179.db2.gz ZJUBRIGPRUJHGQ-QLFBSQMISA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637394 1220923589 /nfs/dbraw/zinc/92/35/89/1220923589.db2.gz KDKXOLZBVQATOK-QLFBSQMISA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637394 1220923594 /nfs/dbraw/zinc/92/35/94/1220923594.db2.gz KDKXOLZBVQATOK-QLFBSQMISA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688069 1220939874 /nfs/dbraw/zinc/93/98/74/1220939874.db2.gz IISMYARHXLTXNV-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688069 1220939876 /nfs/dbraw/zinc/93/98/76/1220939876.db2.gz IISMYARHXLTXNV-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688012 1220940512 /nfs/dbraw/zinc/94/05/12/1220940512.db2.gz FMPJYKWRZVDTSP-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688012 1220940515 /nfs/dbraw/zinc/94/05/15/1220940515.db2.gz FMPJYKWRZVDTSP-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001103740717 1220958358 /nfs/dbraw/zinc/95/83/58/1220958358.db2.gz RUIYTPXEZZSUFZ-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001103740717 1220958364 /nfs/dbraw/zinc/95/83/64/1220958364.db2.gz RUIYTPXEZZSUFZ-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001103740717 1220958369 /nfs/dbraw/zinc/95/83/69/1220958369.db2.gz RUIYTPXEZZSUFZ-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001103740717 1220958373 /nfs/dbraw/zinc/95/83/73/1220958373.db2.gz RUIYTPXEZZSUFZ-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCc1ccco1 ZINC001111502864 1221025328 /nfs/dbraw/zinc/02/53/28/1221025328.db2.gz YDTDWHNACIOHCW-ATLSCFEFSA-N 2 2 374.441 0.775 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111732041 1221079736 /nfs/dbraw/zinc/07/97/36/1221079736.db2.gz YZPWHXTUPBHPDN-DOXZYTNZSA-N 2 2 359.474 0.934 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111732041 1221079738 /nfs/dbraw/zinc/07/97/38/1221079738.db2.gz YZPWHXTUPBHPDN-DOXZYTNZSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111731760 1221080120 /nfs/dbraw/zinc/08/01/20/1221080120.db2.gz LZPSQLJJIHFNOJ-KHYOSLBOSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111731760 1221080123 /nfs/dbraw/zinc/08/01/23/1221080123.db2.gz LZPSQLJJIHFNOJ-KHYOSLBOSA-N 2 2 359.474 0.934 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC1)C2 ZINC001111861235 1221140700 /nfs/dbraw/zinc/14/07/00/1221140700.db2.gz CRLMYCMHHQBBBU-IEZWGBDMSA-N 2 2 359.474 0.838 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2 ZINC001111861235 1221140704 /nfs/dbraw/zinc/14/07/04/1221140704.db2.gz CRLMYCMHHQBBBU-IEZWGBDMSA-N 2 2 359.474 0.838 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC1CC1)C2 ZINC001111861235 1221140706 /nfs/dbraw/zinc/14/07/06/1221140706.db2.gz CRLMYCMHHQBBBU-IEZWGBDMSA-N 2 2 359.474 0.838 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2 ZINC001111861235 1221140710 /nfs/dbraw/zinc/14/07/10/1221140710.db2.gz CRLMYCMHHQBBBU-IEZWGBDMSA-N 2 2 359.474 0.838 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001111874198 1221146271 /nfs/dbraw/zinc/14/62/71/1221146271.db2.gz RVSMVKFWANCGET-HRLGVUPISA-N 2 2 359.474 0.630 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001111874198 1221146275 /nfs/dbraw/zinc/14/62/75/1221146275.db2.gz RVSMVKFWANCGET-HRLGVUPISA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902616 1221158781 /nfs/dbraw/zinc/15/87/81/1221158781.db2.gz KTHRNHBARCMDIN-BXWFABGCSA-N 2 2 366.506 0.333 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902616 1221158785 /nfs/dbraw/zinc/15/87/85/1221158785.db2.gz KTHRNHBARCMDIN-BXWFABGCSA-N 2 2 366.506 0.333 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111937892 1221178548 /nfs/dbraw/zinc/17/85/48/1221178548.db2.gz AKNYJRBRYJFIHD-KXBFYZLASA-N 2 2 361.490 0.850 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111937892 1221178551 /nfs/dbraw/zinc/17/85/51/1221178551.db2.gz AKNYJRBRYJFIHD-KXBFYZLASA-N 2 2 361.490 0.850 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(N(C)C)no1)C2 ZINC001111950811 1221182080 /nfs/dbraw/zinc/18/20/80/1221182080.db2.gz BLCDFYIHQWPMKB-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(N(C)C)no1)C2 ZINC001111950811 1221182082 /nfs/dbraw/zinc/18/20/82/1221182082.db2.gz BLCDFYIHQWPMKB-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(N(C)C)no1)C2 ZINC001111950811 1221182087 /nfs/dbraw/zinc/18/20/87/1221182087.db2.gz BLCDFYIHQWPMKB-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001112021373 1221203370 /nfs/dbraw/zinc/20/33/70/1221203370.db2.gz KACKUNKSXMWVOU-LPHOPBHVSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001112021373 1221203374 /nfs/dbraw/zinc/20/33/74/1221203374.db2.gz KACKUNKSXMWVOU-LPHOPBHVSA-N 2 2 359.474 0.770 20 0 FCADLP CCc1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277408662 1226025050 /nfs/dbraw/zinc/02/50/50/1226025050.db2.gz RNPTVNZMHREFDP-SFHVURJKSA-N 2 2 358.446 0.672 20 0 FCADLP CCc1n[nH]cc1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277408662 1226025053 /nfs/dbraw/zinc/02/50/53/1226025053.db2.gz RNPTVNZMHREFDP-SFHVURJKSA-N 2 2 358.446 0.672 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229682357 1226026600 /nfs/dbraw/zinc/02/66/00/1226026600.db2.gz AAMATBAJTHHIMB-HZPDHXFCSA-N 2 2 364.494 0.687 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000783995371 1221227442 /nfs/dbraw/zinc/22/74/42/1221227442.db2.gz NGBNNJHREKYTQB-LHHMISFZSA-N 2 2 361.490 0.877 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001112410882 1221254586 /nfs/dbraw/zinc/25/45/86/1221254586.db2.gz VCBCQBVXVFGFHJ-HRLGVUPISA-N 2 2 359.474 0.868 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001112410882 1221254588 /nfs/dbraw/zinc/25/45/88/1221254588.db2.gz VCBCQBVXVFGFHJ-HRLGVUPISA-N 2 2 359.474 0.868 20 0 FCADLP [NH2+]=C(NOCc1nnc2n1CCOC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000797846229 1221275158 /nfs/dbraw/zinc/27/51/58/1221275158.db2.gz QSJVANNBHCIMCU-OAHLLOKOSA-N 2 2 372.429 0.708 20 0 FCADLP [NH2+]=C(NOCc1nnc2n1CCOC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000797846229 1221275162 /nfs/dbraw/zinc/27/51/62/1221275162.db2.gz QSJVANNBHCIMCU-OAHLLOKOSA-N 2 2 372.429 0.708 20 0 FCADLP CN(C(=O)C[NH2+]C(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001116004045 1221329515 /nfs/dbraw/zinc/32/95/15/1221329515.db2.gz YHCTYRPLRNJVGI-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP CCCNC(=O)C1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC001116006580 1221330342 /nfs/dbraw/zinc/33/03/42/1221330342.db2.gz VEFXOIUJSJYSDK-UHFFFAOYSA-N 2 2 365.478 0.198 20 0 FCADLP CC(C)(C)[NH2+]CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001116111469 1221337424 /nfs/dbraw/zinc/33/74/24/1221337424.db2.gz MSEVTXRKZRQZJY-UHFFFAOYSA-N 2 2 362.478 0.350 20 0 FCADLP CC(C)(C)[NH2+]CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001116111469 1221337427 /nfs/dbraw/zinc/33/74/27/1221337427.db2.gz MSEVTXRKZRQZJY-UHFFFAOYSA-N 2 2 362.478 0.350 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229939997 1226041311 /nfs/dbraw/zinc/04/13/11/1226041311.db2.gz SGQGDOLPNXLRGF-ARFHVFGLSA-N 2 2 360.462 0.535 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001230149383 1226058520 /nfs/dbraw/zinc/05/85/20/1226058520.db2.gz HKURDOVIIJGPFA-DJIMGWMZSA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCN(c3cccc[nH+]3)CC1)CC[NH2+]CC2 ZINC001118147563 1221719901 /nfs/dbraw/zinc/71/99/01/1221719901.db2.gz HLUHGOKTFZUNDW-MRXNPFEDSA-N 2 2 371.485 0.721 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001118251989 1221743589 /nfs/dbraw/zinc/74/35/89/1221743589.db2.gz YOJPGQRAYRBLHN-UHFFFAOYSA-N 2 2 361.494 0.660 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCC[NH+]2CCCC2)n1 ZINC001230335350 1226074137 /nfs/dbraw/zinc/07/41/37/1226074137.db2.gz UWNOGNSHSROJCF-HZPDHXFCSA-N 2 2 363.510 0.993 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348257 1226077068 /nfs/dbraw/zinc/07/70/68/1226077068.db2.gz YWKYQDIZEAFLCF-BFHYXJOUSA-N 2 2 364.450 0.134 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C(C)=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001119087181 1221866371 /nfs/dbraw/zinc/86/63/71/1221866371.db2.gz IJKCLWLUGHBDRD-UHFFFAOYSA-N 2 2 358.442 0.376 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001119281998 1221897346 /nfs/dbraw/zinc/89/73/46/1221897346.db2.gz OZHRAPOEWCAUAE-HUUCEWRRSA-N 2 2 359.474 0.856 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001119356899 1221905081 /nfs/dbraw/zinc/90/50/81/1221905081.db2.gz MYVHHXZIDARWRB-ZBFHGGJFSA-N 3 2 365.522 0.047 20 0 FCADLP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC001119401573 1221911976 /nfs/dbraw/zinc/91/19/76/1221911976.db2.gz FCJZCKNLPFNLNZ-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC001119401573 1221911978 /nfs/dbraw/zinc/91/19/78/1221911978.db2.gz FCJZCKNLPFNLNZ-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001122748685 1222293778 /nfs/dbraw/zinc/29/37/78/1222293778.db2.gz XNKNBVYJCMMABT-VHDGCEQUSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001122748685 1222293783 /nfs/dbraw/zinc/29/37/83/1222293783.db2.gz XNKNBVYJCMMABT-VHDGCEQUSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001122834844 1222300011 /nfs/dbraw/zinc/30/00/11/1222300011.db2.gz CRBCYRXERFIMOB-BPLDGKMQSA-N 2 2 363.462 0.271 20 0 FCADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001122834844 1222300015 /nfs/dbraw/zinc/30/00/15/1222300015.db2.gz CRBCYRXERFIMOB-BPLDGKMQSA-N 2 2 363.462 0.271 20 0 FCADLP CCc1nc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001124857056 1222389119 /nfs/dbraw/zinc/38/91/19/1222389119.db2.gz CUUHPAOSAKFZLT-QLFBSQMISA-N 2 2 365.478 0.298 20 0 FCADLP CCc1nc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001124857056 1222389122 /nfs/dbraw/zinc/38/91/22/1222389122.db2.gz CUUHPAOSAKFZLT-QLFBSQMISA-N 2 2 365.478 0.298 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)c1cncc(=O)[nH]1 ZINC001277573569 1226131439 /nfs/dbraw/zinc/13/14/39/1226131439.db2.gz JCTIHOSAMORSHG-MSOLQXFVSA-N 2 2 356.430 0.831 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3nccnc3N)CC2)C1 ZINC001140014147 1222563760 /nfs/dbraw/zinc/56/37/60/1222563760.db2.gz JKLHLQIPPCHPGQ-UHFFFAOYSA-N 2 2 362.478 0.061 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3nccnc3N)CC2)C1 ZINC001140014147 1222563762 /nfs/dbraw/zinc/56/37/62/1222563762.db2.gz JKLHLQIPPCHPGQ-UHFFFAOYSA-N 2 2 362.478 0.061 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817181 1222591235 /nfs/dbraw/zinc/59/12/35/1222591235.db2.gz KLWOOUSLDQNGCI-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817181 1222591239 /nfs/dbraw/zinc/59/12/39/1222591239.db2.gz KLWOOUSLDQNGCI-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000834817181 1222591245 /nfs/dbraw/zinc/59/12/45/1222591245.db2.gz KLWOOUSLDQNGCI-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000834817181 1222591249 /nfs/dbraw/zinc/59/12/49/1222591249.db2.gz KLWOOUSLDQNGCI-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc(=O)[nH]n4)C3)O2)CC1 ZINC001232024740 1226139130 /nfs/dbraw/zinc/13/91/30/1226139130.db2.gz VXZIFSRFEBPYDR-IEBWSBKVSA-N 2 2 361.490 0.943 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(=O)[nH]n4)C3)O2)CC1 ZINC001232024740 1226139135 /nfs/dbraw/zinc/13/91/35/1226139135.db2.gz VXZIFSRFEBPYDR-IEBWSBKVSA-N 2 2 361.490 0.943 20 0 FCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(=O)[nH]n4)C3)O2)CC1 ZINC001232024740 1226139142 /nfs/dbraw/zinc/13/91/42/1226139142.db2.gz VXZIFSRFEBPYDR-IEBWSBKVSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C[NH3+] ZINC000842058788 1222833994 /nfs/dbraw/zinc/83/39/94/1222833994.db2.gz XWPPLYHEADVMMF-GOEBONIOSA-N 2 2 355.442 0.932 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)[nH+]c12 ZINC000842129268 1222836304 /nfs/dbraw/zinc/83/63/04/1222836304.db2.gz UGSUMLPVMAJYEK-IBGZPJMESA-N 2 2 355.442 0.656 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@@H]4C[NH2+]CCO4)n3)cc2)CC1 ZINC000843200812 1222860269 /nfs/dbraw/zinc/86/02/69/1222860269.db2.gz KVHXSUMJTALNNB-MRXNPFEDSA-N 2 2 371.441 0.655 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000843255797 1222865901 /nfs/dbraw/zinc/86/59/01/1222865901.db2.gz XIDRPDKNCIGMFK-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000843255797 1222865903 /nfs/dbraw/zinc/86/59/03/1222865903.db2.gz XIDRPDKNCIGMFK-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695491 1226159726 /nfs/dbraw/zinc/15/97/26/1226159726.db2.gz BEGBHKOIKZDLNK-SWLSCSKDSA-N 2 2 374.363 0.647 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695491 1226159729 /nfs/dbraw/zinc/15/97/29/1226159729.db2.gz BEGBHKOIKZDLNK-SWLSCSKDSA-N 2 2 374.363 0.647 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733463 1222888767 /nfs/dbraw/zinc/88/87/67/1222888767.db2.gz FXLMNGGHSSQKPS-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733463 1222888770 /nfs/dbraw/zinc/88/87/70/1222888770.db2.gz FXLMNGGHSSQKPS-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733463 1222888771 /nfs/dbraw/zinc/88/87/71/1222888771.db2.gz FXLMNGGHSSQKPS-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733463 1222888773 /nfs/dbraw/zinc/88/87/73/1222888773.db2.gz FXLMNGGHSSQKPS-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@H]4C3)cn21 ZINC001150403086 1222901884 /nfs/dbraw/zinc/90/18/84/1222901884.db2.gz SOMWQKUXVWONCF-JKSUJKDBSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@H]4C3)cn21 ZINC001150403086 1222901887 /nfs/dbraw/zinc/90/18/87/1222901887.db2.gz SOMWQKUXVWONCF-JKSUJKDBSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[N@@H+]4CC[C@H]4C3)cn21 ZINC001150403086 1222901893 /nfs/dbraw/zinc/90/18/93/1222901893.db2.gz SOMWQKUXVWONCF-JKSUJKDBSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[N@H+]4CC[C@H]4C3)cn21 ZINC001150403086 1222901901 /nfs/dbraw/zinc/90/19/01/1222901901.db2.gz SOMWQKUXVWONCF-JKSUJKDBSA-N 2 2 369.473 0.178 20 0 FCADLP c1ccc(N2CC[NH+](C3CN(c4ncc5c(n4)CC[NH2+]C5)C3)CC2)nc1 ZINC001154638548 1223014345 /nfs/dbraw/zinc/01/43/45/1223014345.db2.gz WBEHIDNIHKUREL-UHFFFAOYSA-N 2 2 351.458 0.528 20 0 FCADLP Cn1cnc2c1nc(-n1c[nH+]cc1C1CC[NH2+]CC1)nc2N1CCOCC1 ZINC001155053459 1223023106 /nfs/dbraw/zinc/02/31/06/1223023106.db2.gz NSAPYGWMQRPJTL-UHFFFAOYSA-N 2 2 368.445 0.853 20 0 FCADLP C1[NH2+]CC12CCOC[C@H]2Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001155472355 1223035676 /nfs/dbraw/zinc/03/56/76/1223035676.db2.gz RWRKIIMCNIEUGO-CQSZACIVSA-N 2 2 359.478 0.284 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]cn1 ZINC001155602939 1223039809 /nfs/dbraw/zinc/03/98/09/1223039809.db2.gz STUDABVYKJPVDH-SUNYJGFJSA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC001155602939 1223039812 /nfs/dbraw/zinc/03/98/12/1223039812.db2.gz STUDABVYKJPVDH-SUNYJGFJSA-N 2 2 360.462 0.501 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001157081646 1223067528 /nfs/dbraw/zinc/06/75/28/1223067528.db2.gz CHGPFUQJFOBAFH-OLZOCXBDSA-N 2 2 368.434 0.449 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001157081646 1223067534 /nfs/dbraw/zinc/06/75/34/1223067534.db2.gz CHGPFUQJFOBAFH-OLZOCXBDSA-N 2 2 368.434 0.449 20 0 FCADLP COC(=O)CNC(=O)[C@@H]1CCCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157420440 1223076537 /nfs/dbraw/zinc/07/65/37/1223076537.db2.gz RIOJZIFZGOQDKM-AWEZNQCLSA-N 2 2 361.446 0.091 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001157999270 1223086551 /nfs/dbraw/zinc/08/65/51/1223086551.db2.gz PTJQPZUPONSCEF-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001157999326 1223086590 /nfs/dbraw/zinc/08/65/90/1223086590.db2.gz QPZBRUKRNBQMMV-INIZCTEOSA-N 2 2 360.458 0.357 20 0 FCADLP Cc1c[nH+]ccc1N1CCN(c2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)CC1 ZINC001158107847 1223089125 /nfs/dbraw/zinc/08/91/25/1223089125.db2.gz JTZLWXQUGTVAAV-INIZCTEOSA-N 2 2 367.457 0.961 20 0 FCADLP Cc1c[nH+]ccc1N1CCN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)CC1 ZINC001158107847 1223089128 /nfs/dbraw/zinc/08/91/28/1223089128.db2.gz JTZLWXQUGTVAAV-INIZCTEOSA-N 2 2 367.457 0.961 20 0 FCADLP COC(=O)c1cc2cnc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)nc2n1C ZINC001158269896 1223093104 /nfs/dbraw/zinc/09/31/04/1223093104.db2.gz SEERKOXKZKEFGR-CYBMUJFWSA-N 2 2 358.446 0.757 20 0 FCADLP COC(=O)c1cc2cnc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)nc2n1C ZINC001158269896 1223093106 /nfs/dbraw/zinc/09/31/06/1223093106.db2.gz SEERKOXKZKEFGR-CYBMUJFWSA-N 2 2 358.446 0.757 20 0 FCADLP CCOC(=O)C1(Nc2ccnc(N3CC[NH+](C)CC3)n2)CC[NH+](C)CC1 ZINC001158570314 1223102458 /nfs/dbraw/zinc/10/24/58/1223102458.db2.gz HBZDCVPNRHHVLW-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP CCOC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)Cc2nn(CC3CC3)cc21 ZINC001158800910 1223110047 /nfs/dbraw/zinc/11/00/47/1223110047.db2.gz YRENOUUKEBEEDS-UOVPBQLFSA-N 2 2 373.501 0.705 20 0 FCADLP [NH3+][C@H]1CCCCN(CC(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)C1=O ZINC001158822354 1223110418 /nfs/dbraw/zinc/11/04/18/1223110418.db2.gz UPYJMIPRBQKAJV-AWEZNQCLSA-N 2 2 372.429 0.144 20 0 FCADLP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001159125210 1223117861 /nfs/dbraw/zinc/11/78/61/1223117861.db2.gz DUZHCVRABXFHDG-HNNXBMFYSA-N 2 2 362.478 0.107 20 0 FCADLP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001159127649 1223117882 /nfs/dbraw/zinc/11/78/82/1223117882.db2.gz ULZMPAODIBTZBB-ZLHSVIROSA-N 2 2 374.489 0.248 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001159257328 1223122055 /nfs/dbraw/zinc/12/20/55/1223122055.db2.gz NMGPMDKAADQAEB-REGYPHIPSA-N 2 2 369.469 0.043 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159282695 1223122846 /nfs/dbraw/zinc/12/28/46/1223122846.db2.gz GVAYBVGTVAXGCI-MRXNPFEDSA-N 2 2 370.457 0.221 20 0 FCADLP N[C@]1(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)CC[NH2+]C1 ZINC001159283042 1223123179 /nfs/dbraw/zinc/12/31/79/1223123179.db2.gz MHNGHRFPAOPHNL-RDTXWAMCSA-N 2 2 356.430 0.006 20 0 FCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001159382053 1223125417 /nfs/dbraw/zinc/12/54/17/1223125417.db2.gz MJIPLHMNOCFAGT-INIZCTEOSA-N 3 2 360.506 0.206 20 0 FCADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159411446 1223126239 /nfs/dbraw/zinc/12/62/39/1223126239.db2.gz CHNGKAAZPOOYLA-ROUUACIJSA-N 3 2 357.502 0.831 20 0 FCADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159411446 1223126241 /nfs/dbraw/zinc/12/62/41/1223126241.db2.gz CHNGKAAZPOOYLA-ROUUACIJSA-N 3 2 357.502 0.831 20 0 FCADLP COCCOCCOCCOCCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001159415541 1223126385 /nfs/dbraw/zinc/12/63/85/1223126385.db2.gz NUIKCSLKHQSQKQ-UHFFFAOYSA-N 2 2 368.478 0.599 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159472577 1223128007 /nfs/dbraw/zinc/12/80/07/1223128007.db2.gz WHRCQDKOFZNPFL-LFGUQSLTSA-N 3 2 362.518 0.145 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159472577 1223128008 /nfs/dbraw/zinc/12/80/08/1223128008.db2.gz WHRCQDKOFZNPFL-LFGUQSLTSA-N 3 2 362.518 0.145 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001159596221 1223130427 /nfs/dbraw/zinc/13/04/27/1223130427.db2.gz ZGCBWXRIAFSSQX-PFPDTZPXSA-N 2 2 354.454 0.733 20 0 FCADLP O=C(N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159593695 1223130432 /nfs/dbraw/zinc/13/04/32/1223130432.db2.gz HLGJAVSOOJNWAH-OYRIPWCXSA-N 2 2 354.454 0.734 20 0 FCADLP NC(=[NH2+])NCCCCC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159677687 1223133317 /nfs/dbraw/zinc/13/33/17/1223133317.db2.gz NNEPYFKBZDZGCZ-UHFFFAOYSA-N 2 2 374.489 0.933 20 0 FCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159994659 1223142555 /nfs/dbraw/zinc/14/25/55/1223142555.db2.gz SUIDBSGDHCVUGQ-QGZVFWFLSA-N 3 2 373.501 0.046 20 0 FCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159994659 1223142556 /nfs/dbraw/zinc/14/25/56/1223142556.db2.gz SUIDBSGDHCVUGQ-QGZVFWFLSA-N 3 2 373.501 0.046 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCn3cnc(COc4cccnc4)c3C2)C1 ZINC001160017313 1223142891 /nfs/dbraw/zinc/14/28/91/1223142891.db2.gz ROPIBSSGOQIOPT-HIFRSBDPSA-N 2 2 356.430 0.279 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001160050176 1223143285 /nfs/dbraw/zinc/14/32/85/1223143285.db2.gz SSMPKPMVAVOFTD-HHXXYDBFSA-N 2 2 371.441 0.366 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160128040 1223146742 /nfs/dbraw/zinc/14/67/42/1223146742.db2.gz JZNWKOVTKKTEER-VPWXQRGCSA-N 3 2 373.501 0.523 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)C1 ZINC001160312195 1223154376 /nfs/dbraw/zinc/15/43/76/1223154376.db2.gz RQRYONYSBBKBFZ-PJFSTRORSA-N 2 2 372.425 0.060 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001160322407 1223154518 /nfs/dbraw/zinc/15/45/18/1223154518.db2.gz BSICTHZSAUVNGN-ZRGWGRIASA-N 2 2 374.489 0.174 20 0 FCADLP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2=O)n1 ZINC001160332776 1223155542 /nfs/dbraw/zinc/15/55/42/1223155542.db2.gz ROGUBKXQJFGUEL-MGPQQGTHSA-N 2 2 371.445 0.148 20 0 FCADLP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2=O)n1 ZINC001160332776 1223155544 /nfs/dbraw/zinc/15/55/44/1223155544.db2.gz ROGUBKXQJFGUEL-MGPQQGTHSA-N 2 2 371.445 0.148 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2=O)cn1 ZINC001160333121 1223155564 /nfs/dbraw/zinc/15/55/64/1223155564.db2.gz WJXJVWNQUFBSLM-RBSFLKMASA-N 2 2 371.445 0.148 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2=O)cn1 ZINC001160333121 1223155567 /nfs/dbraw/zinc/15/55/67/1223155567.db2.gz WJXJVWNQUFBSLM-RBSFLKMASA-N 2 2 371.445 0.148 20 0 FCADLP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2=O)n1 ZINC001160332774 1223156096 /nfs/dbraw/zinc/15/60/96/1223156096.db2.gz ROGUBKXQJFGUEL-MCIONIFRSA-N 2 2 371.445 0.148 20 0 FCADLP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2=O)n1 ZINC001160332774 1223156098 /nfs/dbraw/zinc/15/60/98/1223156098.db2.gz ROGUBKXQJFGUEL-MCIONIFRSA-N 2 2 371.445 0.148 20 0 FCADLP O=C(NCCC1=CC[N@H+](CCn2cncn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160430623 1223159815 /nfs/dbraw/zinc/15/98/15/1223159815.db2.gz AVRBSGNBUWHFPI-HZPDHXFCSA-N 2 2 355.446 0.943 20 0 FCADLP O=C(NCCC1=CC[N@@H+](CCn2cncn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160430623 1223159819 /nfs/dbraw/zinc/15/98/19/1223159819.db2.gz AVRBSGNBUWHFPI-HZPDHXFCSA-N 2 2 355.446 0.943 20 0 FCADLP O=C(N1CCC(n2c(=O)oc3ccccc32)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160556063 1223164577 /nfs/dbraw/zinc/16/45/77/1223164577.db2.gz KUMCXQCFRXEAJA-ORAYPTAESA-N 2 2 356.426 0.710 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584381 1223165140 /nfs/dbraw/zinc/16/51/40/1223165140.db2.gz DLWQAXGOPPQTHK-UHFFFAOYSA-N 3 2 357.458 0.184 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160855586 1223177625 /nfs/dbraw/zinc/17/76/25/1223177625.db2.gz SGQKCIDOISJMRR-ROUUACIJSA-N 2 2 358.486 0.918 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160855586 1223177633 /nfs/dbraw/zinc/17/76/33/1223177633.db2.gz SGQKCIDOISJMRR-ROUUACIJSA-N 2 2 358.486 0.918 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2CC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161137510 1223186366 /nfs/dbraw/zinc/18/63/66/1223186366.db2.gz FOJBCBRKFKUUMH-YWZLYKJASA-N 2 2 357.454 0.898 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3c(c2)C2(CC3=O)CC[NH2+]CC2)C1 ZINC001161139457 1223186766 /nfs/dbraw/zinc/18/67/66/1223186766.db2.gz UWYYRPVWSPSIRO-HXUWFJFHSA-N 2 2 371.437 0.611 20 0 FCADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161146238 1223187097 /nfs/dbraw/zinc/18/70/97/1223187097.db2.gz NWXBKNAGGXQMIQ-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161146238 1223187100 /nfs/dbraw/zinc/18/71/00/1223187100.db2.gz NWXBKNAGGXQMIQ-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3c(c2)C2(CC3=O)CC[NH2+]CC2)C1 ZINC001161139456 1223187153 /nfs/dbraw/zinc/18/71/53/1223187153.db2.gz UWYYRPVWSPSIRO-FQEVSTJZSA-N 2 2 371.437 0.611 20 0 FCADLP O=C([C@H]1C[NH2+]C[C@@H](F)C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196350 1223188684 /nfs/dbraw/zinc/18/86/84/1223188684.db2.gz DLJBKQKOLJZETI-MSOLQXFVSA-N 3 2 370.513 0.485 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239212 1223191154 /nfs/dbraw/zinc/19/11/54/1223191154.db2.gz YEHSGGRDEPLHBK-WBVHZDCISA-N 2 2 356.426 0.420 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239212 1223191157 /nfs/dbraw/zinc/19/11/57/1223191157.db2.gz YEHSGGRDEPLHBK-WBVHZDCISA-N 2 2 356.426 0.420 20 0 FCADLP COc1cnc(O[C@@H]2CCN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C2)nc1 ZINC001161298102 1223194548 /nfs/dbraw/zinc/19/45/48/1223194548.db2.gz GJQXKPMZJDAFNA-ZBFHGGJFSA-N 2 2 357.414 0.737 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC2)cc[nH+]1 ZINC001161306263 1223195247 /nfs/dbraw/zinc/19/52/47/1223195247.db2.gz IUFZFPVQKICDFT-HNNXBMFYSA-N 2 2 363.462 0.228 20 0 FCADLP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161328941 1223195800 /nfs/dbraw/zinc/19/58/00/1223195800.db2.gz OIEPAGZSSIGZTF-OXQOHEQNSA-N 2 2 356.470 0.701 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001161459585 1223200330 /nfs/dbraw/zinc/20/03/30/1223200330.db2.gz QCORIXQXWBVDFO-WBVHZDCISA-N 2 2 352.442 0.481 20 0 FCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC001161669826 1223205862 /nfs/dbraw/zinc/20/58/62/1223205862.db2.gz JMHAPMIPIXQJOG-SHTZXODSSA-N 2 2 362.478 0.714 20 0 FCADLP O=C(NCCC[NH2+]CC1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163006913 1223223425 /nfs/dbraw/zinc/22/34/25/1223223425.db2.gz OUGSYWQBPKIJOK-MSOLQXFVSA-N 2 2 369.506 0.389 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995678 1223223569 /nfs/dbraw/zinc/22/35/69/1223223569.db2.gz CGXRPRCRTPNXKI-KSZLIROESA-N 2 2 369.506 0.531 20 0 FCADLP Cc1cc(N2CCOCC2)[nH+]cc1NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001163118071 1223226886 /nfs/dbraw/zinc/22/68/86/1223226886.db2.gz KNACDOPXLNQDIT-UHFFFAOYSA-N 2 2 370.457 0.889 20 0 FCADLP C[NH+]1CCN(c2ccc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)nc2)CC1 ZINC001163124196 1223227224 /nfs/dbraw/zinc/22/72/24/1223227224.db2.gz JHZIXKPBCUVEHN-UHFFFAOYSA-N 2 2 369.473 0.496 20 0 FCADLP c1cn(Cc2nnn3c2CN(c2cc4c(nn2)CC[NH2+]C4)CCC3)c[nH+]1 ZINC001165881377 1223260380 /nfs/dbraw/zinc/26/03/80/1223260380.db2.gz KYEIKKUAGNPSSW-UHFFFAOYSA-N 2 2 351.418 0.369 20 0 FCADLP CN(C[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977914581 1248669317 /nfs/dbraw/zinc/66/93/17/1248669317.db2.gz CZRCYUPJTKCWGJ-RBSFLKMASA-N 2 2 357.458 0.668 20 0 FCADLP CN(C[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977914581 1248669332 /nfs/dbraw/zinc/66/93/32/1248669332.db2.gz CZRCYUPJTKCWGJ-RBSFLKMASA-N 2 2 357.458 0.668 20 0 FCADLP O=C1[C@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@H]2CN1c1cccnc1 ZINC001166520059 1223281344 /nfs/dbraw/zinc/28/13/44/1223281344.db2.gz BGUHVXRVCVEMKR-YJBOKZPZSA-N 2 2 364.453 0.985 20 0 FCADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCCC[C@H]3C(=O)N3CCOCC3)n2)CC1 ZINC001166659142 1223284056 /nfs/dbraw/zinc/28/40/56/1223284056.db2.gz VAUORYYORCLGNG-INIZCTEOSA-N 2 2 374.489 0.622 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001166961511 1223290338 /nfs/dbraw/zinc/29/03/38/1223290338.db2.gz QWTVIBLKXASFRP-HZPDHXFCSA-N 2 2 357.462 0.821 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166967188 1223290671 /nfs/dbraw/zinc/29/06/71/1223290671.db2.gz ICHYCPPYZPQRNS-RRFJBIMHSA-N 2 2 365.478 0.161 20 0 FCADLP CCOCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001205514035 1223329624 /nfs/dbraw/zinc/32/96/24/1223329624.db2.gz YERICANHOHULFQ-JKSUJKDBSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206619489 1223362978 /nfs/dbraw/zinc/36/29/78/1223362978.db2.gz CHMMVLMWSSFWSD-OIISXLGYSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206619489 1223362982 /nfs/dbraw/zinc/36/29/82/1223362982.db2.gz CHMMVLMWSSFWSD-OIISXLGYSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206619489 1223362985 /nfs/dbraw/zinc/36/29/85/1223362985.db2.gz CHMMVLMWSSFWSD-OIISXLGYSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206619489 1223362988 /nfs/dbraw/zinc/36/29/88/1223362988.db2.gz CHMMVLMWSSFWSD-OIISXLGYSA-N 2 2 362.474 0.769 20 0 FCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)n1C ZINC001206792448 1223370348 /nfs/dbraw/zinc/37/03/48/1223370348.db2.gz DSBZPWJBRSJIJJ-RYQLBKOJSA-N 2 2 372.473 0.729 20 0 FCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)n1C ZINC001206792448 1223370349 /nfs/dbraw/zinc/37/03/49/1223370349.db2.gz DSBZPWJBRSJIJJ-RYQLBKOJSA-N 2 2 372.473 0.729 20 0 FCADLP CN(C)C(=O)COCc1nnc2n1CC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207485950 1223450093 /nfs/dbraw/zinc/45/00/93/1223450093.db2.gz ZVLDEZHFQFPAAQ-UHFFFAOYSA-N 2 2 364.494 0.430 20 0 FCADLP CN(C)C(=O)COCc1nnc2n1CC[N@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207485950 1223450096 /nfs/dbraw/zinc/45/00/96/1223450096.db2.gz ZVLDEZHFQFPAAQ-UHFFFAOYSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705833 1223472580 /nfs/dbraw/zinc/47/25/80/1223472580.db2.gz JYUSHONAWPOUGF-NVXWUHKLSA-N 2 2 363.506 0.715 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705833 1223472583 /nfs/dbraw/zinc/47/25/83/1223472583.db2.gz JYUSHONAWPOUGF-NVXWUHKLSA-N 2 2 363.506 0.715 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207868207 1223488366 /nfs/dbraw/zinc/48/83/66/1223488366.db2.gz LOUXEUBSSVMUMO-CXAGYDPISA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207868207 1223488378 /nfs/dbraw/zinc/48/83/78/1223488378.db2.gz LOUXEUBSSVMUMO-CXAGYDPISA-N 2 2 355.442 0.911 20 0 FCADLP CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)C1CC[NH+](C)CC1 ZINC000977943770 1248688244 /nfs/dbraw/zinc/68/82/44/1248688244.db2.gz HKGHPBXXLZMRHQ-BZUAXINKSA-N 2 2 359.474 0.914 20 0 FCADLP CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)C1CC[NH+](C)CC1 ZINC000977943770 1248688251 /nfs/dbraw/zinc/68/82/51/1248688251.db2.gz HKGHPBXXLZMRHQ-BZUAXINKSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(-c3ccncn3)no2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494271 1223551184 /nfs/dbraw/zinc/55/11/84/1223551184.db2.gz NPBCQWXNMLBUCO-TZMCWYRMSA-N 2 2 359.434 0.415 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccncn3)no2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494271 1223551187 /nfs/dbraw/zinc/55/11/87/1223551187.db2.gz NPBCQWXNMLBUCO-TZMCWYRMSA-N 2 2 359.434 0.415 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485130 1223551570 /nfs/dbraw/zinc/55/15/70/1223551570.db2.gz FQSDKGAYNQFVNU-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485130 1223551575 /nfs/dbraw/zinc/55/15/75/1223551575.db2.gz FQSDKGAYNQFVNU-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496414 1223552399 /nfs/dbraw/zinc/55/23/99/1223552399.db2.gz SCASLAODHWYHGX-HLLBOEOZSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496414 1223552405 /nfs/dbraw/zinc/55/24/05/1223552405.db2.gz SCASLAODHWYHGX-HLLBOEOZSA-N 2 2 364.494 0.203 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208591175 1223560796 /nfs/dbraw/zinc/56/07/96/1223560796.db2.gz RFQNNLJRWAFILN-RRFJBIMHSA-N 2 2 367.494 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208591175 1223560800 /nfs/dbraw/zinc/56/08/00/1223560800.db2.gz RFQNNLJRWAFILN-RRFJBIMHSA-N 2 2 367.494 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208591175 1223560806 /nfs/dbraw/zinc/56/08/06/1223560806.db2.gz RFQNNLJRWAFILN-RRFJBIMHSA-N 2 2 367.494 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208591175 1223560813 /nfs/dbraw/zinc/56/08/13/1223560813.db2.gz RFQNNLJRWAFILN-RRFJBIMHSA-N 2 2 367.494 0.001 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C)C2 ZINC001208629353 1223565606 /nfs/dbraw/zinc/56/56/06/1223565606.db2.gz QACIMNZVZNZNDS-FRFSOERESA-N 2 2 361.490 0.715 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C)C2 ZINC001208629353 1223565610 /nfs/dbraw/zinc/56/56/10/1223565610.db2.gz QACIMNZVZNZNDS-FRFSOERESA-N 2 2 361.490 0.715 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208706738 1223571358 /nfs/dbraw/zinc/57/13/58/1223571358.db2.gz DNCOKQHQKSEYAN-KLHDSHLOSA-N 2 2 361.490 0.829 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208706738 1223571364 /nfs/dbraw/zinc/57/13/64/1223571364.db2.gz DNCOKQHQKSEYAN-KLHDSHLOSA-N 2 2 361.490 0.829 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001208958121 1223588516 /nfs/dbraw/zinc/58/85/16/1223588516.db2.gz OIYQRNHZOGXYBK-MRXNPFEDSA-N 2 2 357.462 0.987 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001208958121 1223588518 /nfs/dbraw/zinc/58/85/18/1223588518.db2.gz OIYQRNHZOGXYBK-MRXNPFEDSA-N 2 2 357.462 0.987 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209028195 1223593007 /nfs/dbraw/zinc/59/30/07/1223593007.db2.gz DMTTZQNWBASBJR-JHJVBQTASA-N 2 2 364.450 0.026 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209028195 1223593012 /nfs/dbraw/zinc/59/30/12/1223593012.db2.gz DMTTZQNWBASBJR-JHJVBQTASA-N 2 2 364.450 0.026 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351331 1223613010 /nfs/dbraw/zinc/61/30/10/1223613010.db2.gz QIRVTCKHQAHXGJ-JJRVBVJISA-N 2 2 365.478 0.178 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209351331 1223613013 /nfs/dbraw/zinc/61/30/13/1223613013.db2.gz QIRVTCKHQAHXGJ-JJRVBVJISA-N 2 2 365.478 0.178 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209351331 1223613016 /nfs/dbraw/zinc/61/30/16/1223613016.db2.gz QIRVTCKHQAHXGJ-JJRVBVJISA-N 2 2 365.478 0.178 20 0 FCADLP C[NH+]1CCN(CCC[NH+]2CC3(C2)COCC(=O)N3CC2CCCC2)CC1 ZINC001276636185 1223613127 /nfs/dbraw/zinc/61/31/27/1223613127.db2.gz KMBOXBPZMHNDTE-UHFFFAOYSA-N 2 2 364.534 0.727 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477187 1223622833 /nfs/dbraw/zinc/62/28/33/1223622833.db2.gz APZAUIHZWBZIKS-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477187 1223622835 /nfs/dbraw/zinc/62/28/35/1223622835.db2.gz APZAUIHZWBZIKS-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478716 1223623824 /nfs/dbraw/zinc/62/38/24/1223623824.db2.gz ZGFBYWASYYYLHJ-SJLPKXTDSA-N 2 2 363.506 0.859 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478716 1223623827 /nfs/dbraw/zinc/62/38/27/1223623827.db2.gz ZGFBYWASYYYLHJ-SJLPKXTDSA-N 2 2 363.506 0.859 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478618 1223623959 /nfs/dbraw/zinc/62/39/59/1223623959.db2.gz WVPVXYQAUNVGIV-SJLPKXTDSA-N 2 2 363.506 0.859 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478618 1223623961 /nfs/dbraw/zinc/62/39/61/1223623961.db2.gz WVPVXYQAUNVGIV-SJLPKXTDSA-N 2 2 363.506 0.859 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514532 1223627052 /nfs/dbraw/zinc/62/70/52/1223627052.db2.gz MOWAGOXDKHCVGP-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514532 1223627053 /nfs/dbraw/zinc/62/70/53/1223627053.db2.gz MOWAGOXDKHCVGP-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515571 1223627491 /nfs/dbraw/zinc/62/74/91/1223627491.db2.gz ZTKIIIGKHZUDSW-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515571 1223627493 /nfs/dbraw/zinc/62/74/93/1223627493.db2.gz ZTKIIIGKHZUDSW-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001209690207 1223641233 /nfs/dbraw/zinc/64/12/33/1223641233.db2.gz PUSNCIVQNLTKMC-FVQBIDKESA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001210337519 1223684364 /nfs/dbraw/zinc/68/43/64/1223684364.db2.gz QQXWBZKDOXKDFZ-CZUORRHYSA-N 2 2 359.474 0.724 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001210337519 1223684367 /nfs/dbraw/zinc/68/43/67/1223684367.db2.gz QQXWBZKDOXKDFZ-CZUORRHYSA-N 2 2 359.474 0.724 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717259 1223704972 /nfs/dbraw/zinc/70/49/72/1223704972.db2.gz DGZYNUNDFZZVOR-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717259 1223704974 /nfs/dbraw/zinc/70/49/74/1223704974.db2.gz DGZYNUNDFZZVOR-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031992 1223720012 /nfs/dbraw/zinc/72/00/12/1223720012.db2.gz SLVCTZOWIUKPTO-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031992 1223720014 /nfs/dbraw/zinc/72/00/14/1223720014.db2.gz SLVCTZOWIUKPTO-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001211046800 1223721940 /nfs/dbraw/zinc/72/19/40/1223721940.db2.gz VRRVREAEJZZTAO-SOLBZPMBSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001211046800 1223721943 /nfs/dbraw/zinc/72/19/43/1223721943.db2.gz VRRVREAEJZZTAO-SOLBZPMBSA-N 2 2 363.506 0.808 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450256 1223743805 /nfs/dbraw/zinc/74/38/05/1223743805.db2.gz POSBSVKARAPJBV-IXDOHACOSA-N 2 2 368.478 0.124 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450256 1223743809 /nfs/dbraw/zinc/74/38/09/1223743809.db2.gz POSBSVKARAPJBV-IXDOHACOSA-N 2 2 368.478 0.124 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219114 1223770278 /nfs/dbraw/zinc/77/02/78/1223770278.db2.gz AXFIUBMENLUZBY-IXDOHACOSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219114 1223770283 /nfs/dbraw/zinc/77/02/83/1223770283.db2.gz AXFIUBMENLUZBY-IXDOHACOSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001213219114 1223770286 /nfs/dbraw/zinc/77/02/86/1223770286.db2.gz AXFIUBMENLUZBY-IXDOHACOSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001213219114 1223770290 /nfs/dbraw/zinc/77/02/90/1223770290.db2.gz AXFIUBMENLUZBY-IXDOHACOSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241927 1223776086 /nfs/dbraw/zinc/77/60/86/1223776086.db2.gz VJCCQZVTEAUUSY-IAGOWNOFSA-N 2 2 371.441 0.388 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241927 1223776088 /nfs/dbraw/zinc/77/60/88/1223776088.db2.gz VJCCQZVTEAUUSY-IAGOWNOFSA-N 2 2 371.441 0.388 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369408 1223791349 /nfs/dbraw/zinc/79/13/49/1223791349.db2.gz SGYUMAYZISPFPQ-USXIJHARSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369408 1223791352 /nfs/dbraw/zinc/79/13/52/1223791352.db2.gz SGYUMAYZISPFPQ-USXIJHARSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374438 1223791651 /nfs/dbraw/zinc/79/16/51/1223791651.db2.gz GXFCMYFGEWNIHG-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374438 1223791654 /nfs/dbraw/zinc/79/16/54/1223791654.db2.gz GXFCMYFGEWNIHG-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701350 1223792843 /nfs/dbraw/zinc/79/28/43/1223792843.db2.gz GZXDCTIVZBLDLZ-KDOFPFPSSA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701350 1223792845 /nfs/dbraw/zinc/79/28/45/1223792845.db2.gz GZXDCTIVZBLDLZ-KDOFPFPSSA-N 2 2 362.430 0.676 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399968 1223794449 /nfs/dbraw/zinc/79/44/49/1223794449.db2.gz UAXHDZJXKOGXIL-BFYDXBDKSA-N 2 2 370.538 0.693 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399968 1223794453 /nfs/dbraw/zinc/79/44/53/1223794453.db2.gz UAXHDZJXKOGXIL-BFYDXBDKSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581178 1223817495 /nfs/dbraw/zinc/81/74/95/1223817495.db2.gz PDWRXXUALMNXFL-QZTJIDSGSA-N 2 2 369.506 0.341 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581178 1223817496 /nfs/dbraw/zinc/81/74/96/1223817496.db2.gz PDWRXXUALMNXFL-QZTJIDSGSA-N 2 2 369.506 0.341 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213598380 1223820695 /nfs/dbraw/zinc/82/06/95/1223820695.db2.gz FOJYSAWRKUUYEJ-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213598380 1223820698 /nfs/dbraw/zinc/82/06/98/1223820698.db2.gz FOJYSAWRKUUYEJ-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1OC ZINC001213671378 1223830341 /nfs/dbraw/zinc/83/03/41/1223830341.db2.gz DUTJSSFPJNKPLQ-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1OC ZINC001213671378 1223830343 /nfs/dbraw/zinc/83/03/43/1223830343.db2.gz DUTJSSFPJNKPLQ-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1OC ZINC001213671378 1223830345 /nfs/dbraw/zinc/83/03/45/1223830345.db2.gz DUTJSSFPJNKPLQ-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1OC ZINC001213671378 1223830347 /nfs/dbraw/zinc/83/03/47/1223830347.db2.gz DUTJSSFPJNKPLQ-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728738 1223839940 /nfs/dbraw/zinc/83/99/40/1223839940.db2.gz RAKWLIHHBRVYTB-RBSFLKMASA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728738 1223839941 /nfs/dbraw/zinc/83/99/41/1223839941.db2.gz RAKWLIHHBRVYTB-RBSFLKMASA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751340 1223844250 /nfs/dbraw/zinc/84/42/50/1223844250.db2.gz BWFPYXMWTLHJCK-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751340 1223844252 /nfs/dbraw/zinc/84/42/52/1223844252.db2.gz BWFPYXMWTLHJCK-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213756332 1223844710 /nfs/dbraw/zinc/84/47/10/1223844710.db2.gz SEBRDPMXJMYJDZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213756332 1223844711 /nfs/dbraw/zinc/84/47/11/1223844711.db2.gz SEBRDPMXJMYJDZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213756332 1223844712 /nfs/dbraw/zinc/84/47/12/1223844712.db2.gz SEBRDPMXJMYJDZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213756332 1223844713 /nfs/dbraw/zinc/84/47/13/1223844713.db2.gz SEBRDPMXJMYJDZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759304 1223845251 /nfs/dbraw/zinc/84/52/51/1223845251.db2.gz FXUQVGHZYATDLV-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759304 1223845252 /nfs/dbraw/zinc/84/52/52/1223845252.db2.gz FXUQVGHZYATDLV-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759304 1223845258 /nfs/dbraw/zinc/84/52/58/1223845258.db2.gz FXUQVGHZYATDLV-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765103 1223846550 /nfs/dbraw/zinc/84/65/50/1223846550.db2.gz ULMOWKJUIVPZPZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765103 1223846553 /nfs/dbraw/zinc/84/65/53/1223846553.db2.gz ULMOWKJUIVPZPZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765103 1223846554 /nfs/dbraw/zinc/84/65/54/1223846554.db2.gz ULMOWKJUIVPZPZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765103 1223846556 /nfs/dbraw/zinc/84/65/56/1223846556.db2.gz ULMOWKJUIVPZPZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213765079 1223846565 /nfs/dbraw/zinc/84/65/65/1223846565.db2.gz SQDFCAVOFWIWHP-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213765079 1223846568 /nfs/dbraw/zinc/84/65/68/1223846568.db2.gz SQDFCAVOFWIWHP-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213765079 1223846570 /nfs/dbraw/zinc/84/65/70/1223846570.db2.gz SQDFCAVOFWIWHP-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213765079 1223846572 /nfs/dbraw/zinc/84/65/72/1223846572.db2.gz SQDFCAVOFWIWHP-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213767243 1223846845 /nfs/dbraw/zinc/84/68/45/1223846845.db2.gz KGDHUZOTGUYKIQ-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213767243 1223846849 /nfs/dbraw/zinc/84/68/49/1223846849.db2.gz KGDHUZOTGUYKIQ-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213767243 1223846851 /nfs/dbraw/zinc/84/68/51/1223846851.db2.gz KGDHUZOTGUYKIQ-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213767243 1223846853 /nfs/dbraw/zinc/84/68/53/1223846853.db2.gz KGDHUZOTGUYKIQ-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213864018 1223863929 /nfs/dbraw/zinc/86/39/29/1223863929.db2.gz XSOVEQONVSBLIS-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213864018 1223863930 /nfs/dbraw/zinc/86/39/30/1223863930.db2.gz XSOVEQONVSBLIS-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213931291 1223875029 /nfs/dbraw/zinc/87/50/29/1223875029.db2.gz IDZHAFBSNVFQER-KZNAEPCWSA-N 2 2 363.506 0.856 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213972188 1223879379 /nfs/dbraw/zinc/87/93/79/1223879379.db2.gz GXNQOFJNCMXIKP-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213972188 1223879382 /nfs/dbraw/zinc/87/93/82/1223879382.db2.gz GXNQOFJNCMXIKP-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975446 1223880121 /nfs/dbraw/zinc/88/01/21/1223880121.db2.gz IBTNBAAVZSJLTB-USXIJHARSA-N 2 2 362.474 0.068 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975446 1223880123 /nfs/dbraw/zinc/88/01/23/1223880123.db2.gz IBTNBAAVZSJLTB-USXIJHARSA-N 2 2 362.474 0.068 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975446 1223880125 /nfs/dbraw/zinc/88/01/25/1223880125.db2.gz IBTNBAAVZSJLTB-USXIJHARSA-N 2 2 362.474 0.068 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975446 1223880126 /nfs/dbraw/zinc/88/01/26/1223880126.db2.gz IBTNBAAVZSJLTB-USXIJHARSA-N 2 2 362.474 0.068 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977777 1223880892 /nfs/dbraw/zinc/88/08/92/1223880892.db2.gz ZBKQHLFIUFSYIK-HZPDHXFCSA-N 2 2 363.462 0.101 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977777 1223880893 /nfs/dbraw/zinc/88/08/93/1223880893.db2.gz ZBKQHLFIUFSYIK-HZPDHXFCSA-N 2 2 363.462 0.101 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001214655863 1223929490 /nfs/dbraw/zinc/92/94/90/1223929490.db2.gz SOBOPQRQTKGPMH-KLHDSHLOSA-N 2 2 359.474 0.336 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214892045 1223952231 /nfs/dbraw/zinc/95/22/31/1223952231.db2.gz CUOGNGKEDQORKD-IXYNUQLISA-N 2 2 363.462 0.102 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214988258 1223961674 /nfs/dbraw/zinc/96/16/74/1223961674.db2.gz RHNXJPGLRMTGPF-JKIFEVAISA-N 2 2 359.474 0.503 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214986492 1223961959 /nfs/dbraw/zinc/96/19/59/1223961959.db2.gz LEDRWGZUSVAUHD-BFYDXBDKSA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214988395 1223962008 /nfs/dbraw/zinc/96/20/08/1223962008.db2.gz UPQDMDHBPQMZDZ-IIAWOOMASA-N 2 2 361.490 0.797 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001215002123 1223963108 /nfs/dbraw/zinc/96/31/08/1223963108.db2.gz ZWEZJNWBBVOZPT-ZIAGYGMSSA-N 2 2 367.494 0.925 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001215002123 1223963111 /nfs/dbraw/zinc/96/31/11/1223963111.db2.gz ZWEZJNWBBVOZPT-ZIAGYGMSSA-N 2 2 367.494 0.925 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005821 1223963310 /nfs/dbraw/zinc/96/33/10/1223963310.db2.gz IWMUCGHLVPHBAP-BZUAXINKSA-N 2 2 361.490 0.798 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215008531 1223963541 /nfs/dbraw/zinc/96/35/41/1223963541.db2.gz RBZVIPAJTWZCSE-IJEWVQPXSA-N 2 2 361.490 0.797 20 0 FCADLP 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C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001215858008 1224021304 /nfs/dbraw/zinc/02/13/04/1224021304.db2.gz DBUFQGYGRAVMPV-JJRVBVJISA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001215858008 1224021306 /nfs/dbraw/zinc/02/13/06/1224021306.db2.gz DBUFQGYGRAVMPV-JJRVBVJISA-N 2 2 361.490 0.941 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216361528 1224046463 /nfs/dbraw/zinc/04/64/63/1224046463.db2.gz JHZAECSIOPSQHM-RHSMWYFYSA-N 2 2 370.457 0.796 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216383821 1224048339 /nfs/dbraw/zinc/04/83/39/1224048339.db2.gz QOMANBPCMOFFQT-RHSMWYFYSA-N 2 2 370.457 0.111 20 0 FCADLP CC(C)Cc1noc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216401331 1224048534 /nfs/dbraw/zinc/04/85/34/1224048534.db2.gz KMJUDFKLNRFVQG-HUUCEWRRSA-N 2 2 367.494 0.783 20 0 FCADLP 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Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1=O ZINC001003065310 1252779252 /nfs/dbraw/zinc/77/92/52/1252779252.db2.gz VGVKTSCWRRTSBM-HZPDHXFCSA-N 2 2 355.442 0.993 20 0 FCADLP COc1cncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003136852 1252790418 /nfs/dbraw/zinc/79/04/18/1252790418.db2.gz FWBCSEICNDHUJC-CZUORRHYSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003136852 1252790422 /nfs/dbraw/zinc/79/04/22/1252790422.db2.gz FWBCSEICNDHUJC-CZUORRHYSA-N 2 2 363.462 0.285 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329082999 1265690082 /nfs/dbraw/zinc/69/00/82/1265690082.db2.gz TYJKDACVZZQTIJ-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329082999 1265690085 /nfs/dbraw/zinc/69/00/85/1265690085.db2.gz TYJKDACVZZQTIJ-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP 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C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC[C@@H]21 ZINC001519642692 1265741183 /nfs/dbraw/zinc/74/11/83/1265741183.db2.gz ZSNFTHNOIVNJKP-CVEARBPZSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC[C@@H]21 ZINC001519642692 1265741190 /nfs/dbraw/zinc/74/11/90/1265741190.db2.gz ZSNFTHNOIVNJKP-CVEARBPZSA-N 2 2 352.479 0.561 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CCn2cncn2)CC1 ZINC001006020477 1253688848 /nfs/dbraw/zinc/68/88/48/1253688848.db2.gz RSJDMVFANMGBOQ-HZPDHXFCSA-N 2 2 357.462 0.738 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001022424233 1253807015 /nfs/dbraw/zinc/80/70/15/1253807015.db2.gz RFIMJNHBYOWYEJ-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001022424233 1253807022 /nfs/dbraw/zinc/80/70/22/1253807022.db2.gz RFIMJNHBYOWYEJ-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP CCCn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029742749 1253871677 /nfs/dbraw/zinc/87/16/77/1253871677.db2.gz YEDCQAMAESDOCL-OWCLPIDISA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029742749 1253871689 /nfs/dbraw/zinc/87/16/89/1253871689.db2.gz YEDCQAMAESDOCL-OWCLPIDISA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029742749 1253871698 /nfs/dbraw/zinc/87/16/98/1253871698.db2.gz YEDCQAMAESDOCL-OWCLPIDISA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029742749 1253871704 /nfs/dbraw/zinc/87/17/04/1253871704.db2.gz YEDCQAMAESDOCL-OWCLPIDISA-N 2 2 363.510 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001029742623 1253872176 /nfs/dbraw/zinc/87/21/76/1253872176.db2.gz VXPHMDLPJWLHJK-RBSFLKMASA-N 2 2 364.494 0.756 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001029742623 1253872182 /nfs/dbraw/zinc/87/21/82/1253872182.db2.gz VXPHMDLPJWLHJK-RBSFLKMASA-N 2 2 364.494 0.756 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001029742623 1253872188 /nfs/dbraw/zinc/87/21/88/1253872188.db2.gz VXPHMDLPJWLHJK-RBSFLKMASA-N 2 2 364.494 0.756 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001029742623 1253872198 /nfs/dbraw/zinc/87/21/98/1253872198.db2.gz VXPHMDLPJWLHJK-RBSFLKMASA-N 2 2 364.494 0.756 20 0 FCADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001031770244 1253894405 /nfs/dbraw/zinc/89/44/05/1253894405.db2.gz XESAQFWBQIRTSP-RHSMWYFYSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001031770244 1253894413 /nfs/dbraw/zinc/89/44/13/1253894413.db2.gz XESAQFWBQIRTSP-RHSMWYFYSA-N 2 2 362.474 0.747 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001031987146 1253910003 /nfs/dbraw/zinc/91/00/03/1253910003.db2.gz VHSCCNJQSINHCT-RRFJBIMHSA-N 2 2 355.446 0.351 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC001032636864 1253937910 /nfs/dbraw/zinc/93/79/10/1253937910.db2.gz ZYRJCYWUWRQNFZ-MWDXBVQZSA-N 2 2 354.458 0.785 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC001032636864 1253937917 /nfs/dbraw/zinc/93/79/17/1253937917.db2.gz ZYRJCYWUWRQNFZ-MWDXBVQZSA-N 2 2 354.458 0.785 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001034941275 1254011335 /nfs/dbraw/zinc/01/13/35/1254011335.db2.gz OVCRMOSMPGBSPC-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001034941275 1254011338 /nfs/dbraw/zinc/01/13/38/1254011338.db2.gz OVCRMOSMPGBSPC-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001035196233 1254018031 /nfs/dbraw/zinc/01/80/31/1254018031.db2.gz YOQYLWWZCKOHFE-FMKPAKJESA-N 2 2 357.458 0.716 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC2(CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001035196233 1254018041 /nfs/dbraw/zinc/01/80/41/1254018041.db2.gz YOQYLWWZCKOHFE-FMKPAKJESA-N 2 2 357.458 0.716 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCc3ccnn3C)CCO2)CC[N@@H+]1C ZINC001035374863 1254029857 /nfs/dbraw/zinc/02/98/57/1254029857.db2.gz DFBRPZYOOUZREJ-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCc3ccnn3C)CCO2)CC[N@H+]1C ZINC001035374863 1254029866 /nfs/dbraw/zinc/02/98/66/1254029866.db2.gz DFBRPZYOOUZREJ-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001035374863 1254029873 /nfs/dbraw/zinc/02/98/73/1254029873.db2.gz DFBRPZYOOUZREJ-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001035374863 1254029884 /nfs/dbraw/zinc/02/98/84/1254029884.db2.gz DFBRPZYOOUZREJ-OKZBNKHCSA-N 2 2 363.506 0.510 20 0 FCADLP C[NH+]1CCN(c2ccccc2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001329656182 1265802880 /nfs/dbraw/zinc/80/28/80/1265802880.db2.gz WNAIRNNJCGFOAP-QGZVFWFLSA-N 2 2 358.486 0.985 20 0 FCADLP C[NH+]1CCN(c2ccccc2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001329656180 1265802965 /nfs/dbraw/zinc/80/29/65/1265802965.db2.gz WNAIRNNJCGFOAP-KRWDZBQOSA-N 2 2 358.486 0.985 20 0 FCADLP C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@@H]1CCNC1=O ZINC001036603795 1254067313 /nfs/dbraw/zinc/06/73/13/1254067313.db2.gz RUMAUEHLOMUFFG-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@@H]1CCNC1=O ZINC001036603795 1254067323 /nfs/dbraw/zinc/06/73/23/1254067323.db2.gz RUMAUEHLOMUFFG-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@@H]1CCNC1=O ZINC001036603795 1254067328 /nfs/dbraw/zinc/06/73/28/1254067328.db2.gz RUMAUEHLOMUFFG-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@@H]1CCNC1=O ZINC001036603795 1254067330 /nfs/dbraw/zinc/06/73/30/1254067330.db2.gz RUMAUEHLOMUFFG-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001061472510 1254177675 /nfs/dbraw/zinc/17/76/75/1254177675.db2.gz ZVLITYMSRVENAX-HZSPNIEDSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001061472510 1254177682 /nfs/dbraw/zinc/17/76/82/1254177682.db2.gz ZVLITYMSRVENAX-HZSPNIEDSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001063055628 1254298769 /nfs/dbraw/zinc/29/87/69/1254298769.db2.gz GGZBVEDTPUNEFH-HZSPNIEDSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001063055628 1254298784 /nfs/dbraw/zinc/29/87/84/1254298784.db2.gz GGZBVEDTPUNEFH-HZSPNIEDSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001065211124 1254492558 /nfs/dbraw/zinc/49/25/58/1254492558.db2.gz ISQWEADUAPKEMU-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001065211124 1254492566 /nfs/dbraw/zinc/49/25/66/1254492566.db2.gz ISQWEADUAPKEMU-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001065211124 1254492571 /nfs/dbraw/zinc/49/25/71/1254492571.db2.gz ISQWEADUAPKEMU-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001065211124 1254492576 /nfs/dbraw/zinc/49/25/76/1254492576.db2.gz ISQWEADUAPKEMU-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP COCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001065703495 1254579441 /nfs/dbraw/zinc/57/94/41/1254579441.db2.gz DFDFBPMWDFOZCO-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP COCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001065703495 1254579455 /nfs/dbraw/zinc/57/94/55/1254579455.db2.gz DFDFBPMWDFOZCO-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)CCCF)CC3)C2)CC[N@@H+]1C ZINC001065704707 1254580953 /nfs/dbraw/zinc/58/09/53/1254580953.db2.gz QPVRBCNPHJFUBH-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)CCCF)CC3)C2)CC[N@H+]1C ZINC001065704707 1254580958 /nfs/dbraw/zinc/58/09/58/1254580958.db2.gz QPVRBCNPHJFUBH-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075962094 1254656728 /nfs/dbraw/zinc/65/67/28/1254656728.db2.gz DRXJZKLQXMXBME-YQQAZPJKSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075962094 1254656738 /nfs/dbraw/zinc/65/67/38/1254656738.db2.gz DRXJZKLQXMXBME-YQQAZPJKSA-N 2 2 355.446 0.270 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075962031 1254658508 /nfs/dbraw/zinc/65/85/08/1254658508.db2.gz CAUCZEOFERFJLJ-ZIFCJYIRSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075962031 1254658518 /nfs/dbraw/zinc/65/85/18/1254658518.db2.gz CAUCZEOFERFJLJ-ZIFCJYIRSA-N 2 2 368.485 0.954 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565562 1254701218 /nfs/dbraw/zinc/70/12/18/1254701218.db2.gz OHEGNSBDJYMKSS-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565562 1254701236 /nfs/dbraw/zinc/70/12/36/1254701236.db2.gz OHEGNSBDJYMKSS-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565562 1254701256 /nfs/dbraw/zinc/70/12/56/1254701256.db2.gz OHEGNSBDJYMKSS-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565562 1254701273 /nfs/dbraw/zinc/70/12/73/1254701273.db2.gz OHEGNSBDJYMKSS-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077567011 1254704863 /nfs/dbraw/zinc/70/48/63/1254704863.db2.gz WZBZTRMSWYLVMP-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077567011 1254704868 /nfs/dbraw/zinc/70/48/68/1254704868.db2.gz WZBZTRMSWYLVMP-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567011 1254704878 /nfs/dbraw/zinc/70/48/78/1254704878.db2.gz WZBZTRMSWYLVMP-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567011 1254704889 /nfs/dbraw/zinc/70/48/89/1254704889.db2.gz WZBZTRMSWYLVMP-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077991971 1255150306 /nfs/dbraw/zinc/15/03/06/1255150306.db2.gz AQYYCAYYNJLILT-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077991971 1255150311 /nfs/dbraw/zinc/15/03/11/1255150311.db2.gz AQYYCAYYNJLILT-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078008515 1255164188 /nfs/dbraw/zinc/16/41/88/1255164188.db2.gz IWPCTXYMVDMTPW-QZTJIDSGSA-N 2 2 358.442 0.471 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078008515 1255164190 /nfs/dbraw/zinc/16/41/90/1255164190.db2.gz IWPCTXYMVDMTPW-QZTJIDSGSA-N 2 2 358.442 0.471 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018094 1255175229 /nfs/dbraw/zinc/17/52/29/1255175229.db2.gz MYTLUHSQDGKHMT-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018094 1255175233 /nfs/dbraw/zinc/17/52/33/1255175233.db2.gz MYTLUHSQDGKHMT-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078180114 1255295618 /nfs/dbraw/zinc/29/56/18/1255295618.db2.gz NEVSZOLTABIJRM-RTBURBONSA-N 2 2 359.470 0.516 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078180114 1255295622 /nfs/dbraw/zinc/29/56/22/1255295622.db2.gz NEVSZOLTABIJRM-RTBURBONSA-N 2 2 359.470 0.516 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209901 1255324420 /nfs/dbraw/zinc/32/44/20/1255324420.db2.gz NWBGAXHUONJFRX-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209901 1255324423 /nfs/dbraw/zinc/32/44/23/1255324423.db2.gz NWBGAXHUONJFRX-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209901 1255324430 /nfs/dbraw/zinc/32/44/30/1255324430.db2.gz NWBGAXHUONJFRX-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209901 1255324438 /nfs/dbraw/zinc/32/44/38/1255324438.db2.gz NWBGAXHUONJFRX-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078222756 1255332874 /nfs/dbraw/zinc/33/28/74/1255332874.db2.gz PVJOPIRYJNAKHT-RTBURBONSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078222756 1255332879 /nfs/dbraw/zinc/33/28/79/1255332879.db2.gz PVJOPIRYJNAKHT-RTBURBONSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224569 1255336563 /nfs/dbraw/zinc/33/65/63/1255336563.db2.gz OKIGYVXHPXNYGI-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224569 1255336572 /nfs/dbraw/zinc/33/65/72/1255336572.db2.gz OKIGYVXHPXNYGI-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC001078403956 1255406934 /nfs/dbraw/zinc/40/69/34/1255406934.db2.gz NLNKXCUSVWZYBE-HRCADAONSA-N 2 2 365.478 0.815 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC001078403956 1255406940 /nfs/dbraw/zinc/40/69/40/1255406940.db2.gz NLNKXCUSVWZYBE-HRCADAONSA-N 2 2 365.478 0.815 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079212301 1255473538 /nfs/dbraw/zinc/47/35/38/1255473538.db2.gz TWMYDKUCUJZXHA-UHOFOFEASA-N 2 2 359.405 0.480 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(CC[NH+](C[C@@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079271123 1255497354 /nfs/dbraw/zinc/49/73/54/1255497354.db2.gz HVHCWIMOHXAHLJ-UKPHBRMFSA-N 2 2 362.474 0.581 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686978 1255572919 /nfs/dbraw/zinc/57/29/19/1255572919.db2.gz HOTGCCYTVXLRSO-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686978 1255572926 /nfs/dbraw/zinc/57/29/26/1255572926.db2.gz HOTGCCYTVXLRSO-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686978 1255572934 /nfs/dbraw/zinc/57/29/34/1255572934.db2.gz HOTGCCYTVXLRSO-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686978 1255572940 /nfs/dbraw/zinc/57/29/40/1255572940.db2.gz HOTGCCYTVXLRSO-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]3C)ccn12 ZINC001079697140 1255578138 /nfs/dbraw/zinc/57/81/38/1255578138.db2.gz VUBWFOFIWRVWBF-WQVCFCJDSA-N 2 2 355.442 0.971 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]3C)ccn12 ZINC001079697140 1255578141 /nfs/dbraw/zinc/57/81/41/1255578141.db2.gz VUBWFOFIWRVWBF-WQVCFCJDSA-N 2 2 355.442 0.971 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805049 1255614819 /nfs/dbraw/zinc/61/48/19/1255614819.db2.gz HITIJSSGMARMTK-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805049 1255614830 /nfs/dbraw/zinc/61/48/30/1255614830.db2.gz HITIJSSGMARMTK-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805049 1255614836 /nfs/dbraw/zinc/61/48/36/1255614836.db2.gz HITIJSSGMARMTK-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805049 1255614842 /nfs/dbraw/zinc/61/48/42/1255614842.db2.gz HITIJSSGMARMTK-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951543 1255678258 /nfs/dbraw/zinc/67/82/58/1255678258.db2.gz SNGVUQXRMGZCJE-RRCSTGOVSA-N 2 2 363.462 0.141 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079951543 1255678264 /nfs/dbraw/zinc/67/82/64/1255678264.db2.gz SNGVUQXRMGZCJE-RRCSTGOVSA-N 2 2 363.462 0.141 20 0 FCADLP COc1nccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951543 1255678269 /nfs/dbraw/zinc/67/82/69/1255678269.db2.gz SNGVUQXRMGZCJE-RRCSTGOVSA-N 2 2 363.462 0.141 20 0 FCADLP COc1nccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079951543 1255678276 /nfs/dbraw/zinc/67/82/76/1255678276.db2.gz SNGVUQXRMGZCJE-RRCSTGOVSA-N 2 2 363.462 0.141 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099246 1255741665 /nfs/dbraw/zinc/74/16/65/1255741665.db2.gz AGJZAHBYODSLJK-XYPHTWIQSA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099246 1255741668 /nfs/dbraw/zinc/74/16/68/1255741668.db2.gz AGJZAHBYODSLJK-XYPHTWIQSA-N 2 2 368.441 0.596 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107214 1255746474 /nfs/dbraw/zinc/74/64/74/1255746474.db2.gz UTDWTGPWJKZDEY-DAXOMENPSA-N 2 2 356.430 0.581 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107214 1255746476 /nfs/dbraw/zinc/74/64/76/1255746476.db2.gz UTDWTGPWJKZDEY-DAXOMENPSA-N 2 2 356.430 0.581 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080139262 1255755586 /nfs/dbraw/zinc/75/55/86/1255755586.db2.gz UGIORWSWOKKNFC-KBRIMQKVSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080139262 1255755592 /nfs/dbraw/zinc/75/55/92/1255755592.db2.gz UGIORWSWOKKNFC-KBRIMQKVSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160877 1255765420 /nfs/dbraw/zinc/76/54/20/1255765420.db2.gz BTZRTESSSLIZCW-YFCUKEQTSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160877 1255765425 /nfs/dbraw/zinc/76/54/25/1255765425.db2.gz BTZRTESSSLIZCW-YFCUKEQTSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160877 1255765429 /nfs/dbraw/zinc/76/54/29/1255765429.db2.gz BTZRTESSSLIZCW-YFCUKEQTSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160877 1255765436 /nfs/dbraw/zinc/76/54/36/1255765436.db2.gz BTZRTESSSLIZCW-YFCUKEQTSA-N 2 2 360.458 0.783 20 0 FCADLP CCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080192734 1255780563 /nfs/dbraw/zinc/78/05/63/1255780563.db2.gz VUNHIZYEIOUQNB-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080192734 1255780568 /nfs/dbraw/zinc/78/05/68/1255780568.db2.gz VUNHIZYEIOUQNB-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N3CCC3)C[C@H]1C)C2 ZINC001080447056 1255889865 /nfs/dbraw/zinc/88/98/65/1255889865.db2.gz VXBKUIKFJSVEDY-UKPHBRMFSA-N 2 2 359.474 0.423 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N3CCC3)C[C@H]1C)C2 ZINC001080447056 1255889886 /nfs/dbraw/zinc/88/98/86/1255889886.db2.gz VXBKUIKFJSVEDY-UKPHBRMFSA-N 2 2 359.474 0.423 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454301 1255896349 /nfs/dbraw/zinc/89/63/49/1255896349.db2.gz FBTVOWAKKKCANR-WQVCFCJDSA-N 2 2 363.462 0.584 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454301 1255896361 /nfs/dbraw/zinc/89/63/61/1255896361.db2.gz FBTVOWAKKKCANR-WQVCFCJDSA-N 2 2 363.462 0.584 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471039 1255905233 /nfs/dbraw/zinc/90/52/33/1255905233.db2.gz LQFFLAVEAZSTNZ-KBUPBQIOSA-N 2 2 373.457 0.109 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471039 1255905237 /nfs/dbraw/zinc/90/52/37/1255905237.db2.gz LQFFLAVEAZSTNZ-KBUPBQIOSA-N 2 2 373.457 0.109 20 0 FCADLP C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+]1CCN(C)CC1 ZINC001520792730 1266001415 /nfs/dbraw/zinc/00/14/15/1266001415.db2.gz CHPWKXXUMSWEIU-KRWDZBQOSA-N 2 2 367.538 0.567 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001080573560 1255936736 /nfs/dbraw/zinc/93/67/36/1255936736.db2.gz PPHPPMREIJIWCU-HZPDHXFCSA-N 2 2 361.490 0.923 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001080573560 1255936749 /nfs/dbraw/zinc/93/67/49/1255936749.db2.gz PPHPPMREIJIWCU-HZPDHXFCSA-N 2 2 361.490 0.923 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001080573743 1255937958 /nfs/dbraw/zinc/93/79/58/1255937958.db2.gz WGNZZBFFSIXBRI-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080573743 1255937965 /nfs/dbraw/zinc/93/79/65/1255937965.db2.gz WGNZZBFFSIXBRI-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080679414 1255980336 /nfs/dbraw/zinc/98/03/36/1255980336.db2.gz DEMYRYKCXZTCHV-KBRIMQKVSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080679414 1255980342 /nfs/dbraw/zinc/98/03/42/1255980342.db2.gz DEMYRYKCXZTCHV-KBRIMQKVSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682088 1255986917 /nfs/dbraw/zinc/98/69/17/1255986917.db2.gz WPQZAENDXFYQCA-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682088 1255986926 /nfs/dbraw/zinc/98/69/26/1255986926.db2.gz WPQZAENDXFYQCA-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979109 1256123227 /nfs/dbraw/zinc/12/32/27/1256123227.db2.gz CBSOLUIIRMFOLV-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979109 1256123228 /nfs/dbraw/zinc/12/32/28/1256123228.db2.gz CBSOLUIIRMFOLV-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979109 1256123235 /nfs/dbraw/zinc/12/32/35/1256123235.db2.gz CBSOLUIIRMFOLV-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979109 1256123239 /nfs/dbraw/zinc/12/32/39/1256123239.db2.gz CBSOLUIIRMFOLV-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001081188648 1256201254 /nfs/dbraw/zinc/20/12/54/1256201254.db2.gz DCWWHHZSMZCMPR-RCCFBDPRSA-N 2 2 367.453 0.815 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1)N1CCC1 ZINC001081189188 1256201547 /nfs/dbraw/zinc/20/15/47/1256201547.db2.gz NRYWNSMIUCBRPL-ZWKOTPCHSA-N 2 2 367.453 0.769 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081189028 1256201752 /nfs/dbraw/zinc/20/17/52/1256201752.db2.gz LNDURCDHYQRUBH-ZWKOTPCHSA-N 2 2 365.441 0.828 20 0 FCADLP CCc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481644 1256270574 /nfs/dbraw/zinc/27/05/74/1256270574.db2.gz PQWALMCALVEMCA-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481644 1256270575 /nfs/dbraw/zinc/27/05/75/1256270575.db2.gz PQWALMCALVEMCA-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481644 1256270579 /nfs/dbraw/zinc/27/05/79/1256270579.db2.gz PQWALMCALVEMCA-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481644 1256270581 /nfs/dbraw/zinc/27/05/81/1256270581.db2.gz PQWALMCALVEMCA-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796348 1256376119 /nfs/dbraw/zinc/37/61/19/1256376119.db2.gz QHOABSBGVRHACC-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796348 1256376126 /nfs/dbraw/zinc/37/61/26/1256376126.db2.gz QHOABSBGVRHACC-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081796348 1256376132 /nfs/dbraw/zinc/37/61/32/1256376132.db2.gz QHOABSBGVRHACC-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796348 1256376137 /nfs/dbraw/zinc/37/61/37/1256376137.db2.gz QHOABSBGVRHACC-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001081870649 1256421944 /nfs/dbraw/zinc/42/19/44/1256421944.db2.gz HHVMGMOGCCPVQA-USXIJHARSA-N 2 2 358.446 0.158 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001081870649 1256421946 /nfs/dbraw/zinc/42/19/46/1256421946.db2.gz HHVMGMOGCCPVQA-USXIJHARSA-N 2 2 358.446 0.158 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880171 1256426706 /nfs/dbraw/zinc/42/67/06/1256426706.db2.gz OALYMPUUVHZSTH-HZPDHXFCSA-N 2 2 359.430 0.160 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880171 1256426710 /nfs/dbraw/zinc/42/67/10/1256426710.db2.gz OALYMPUUVHZSTH-HZPDHXFCSA-N 2 2 359.430 0.160 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880101 1256426838 /nfs/dbraw/zinc/42/68/38/1256426838.db2.gz KAVNFIUSTBVHTD-OWCLPIDISA-N 2 2 359.430 0.336 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880101 1256426840 /nfs/dbraw/zinc/42/68/40/1256426840.db2.gz KAVNFIUSTBVHTD-OWCLPIDISA-N 2 2 359.430 0.336 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H](OC)C2)C1=O ZINC001081899605 1256442054 /nfs/dbraw/zinc/44/20/54/1256442054.db2.gz ABTNKUUGZLOORR-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H](OC)C2)C1=O ZINC001081899605 1256442056 /nfs/dbraw/zinc/44/20/56/1256442056.db2.gz ABTNKUUGZLOORR-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947005 1256466176 /nfs/dbraw/zinc/46/61/76/1256466176.db2.gz DYMFKSXDHCDCRN-CSMYWGQOSA-N 2 2 371.441 0.430 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081947005 1256466177 /nfs/dbraw/zinc/46/61/77/1256466177.db2.gz DYMFKSXDHCDCRN-CSMYWGQOSA-N 2 2 371.441 0.430 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)cn1 ZINC001081949584 1256469461 /nfs/dbraw/zinc/46/94/61/1256469461.db2.gz WLYUAUDJCKJYQH-IAGOWNOFSA-N 2 2 360.462 0.466 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)cn1 ZINC001081949584 1256469463 /nfs/dbraw/zinc/46/94/63/1256469463.db2.gz WLYUAUDJCKJYQH-IAGOWNOFSA-N 2 2 360.462 0.466 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279064 1256628971 /nfs/dbraw/zinc/62/89/71/1256628971.db2.gz LFLQWGGNCVJCKB-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279064 1256628978 /nfs/dbraw/zinc/62/89/78/1256628978.db2.gz LFLQWGGNCVJCKB-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318131 1256657679 /nfs/dbraw/zinc/65/76/79/1256657679.db2.gz ZDWFUTSWHXTJMF-IAOVAPTHSA-N 2 2 366.506 0.058 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318131 1256657683 /nfs/dbraw/zinc/65/76/83/1256657683.db2.gz ZDWFUTSWHXTJMF-IAOVAPTHSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982037 1266054891 /nfs/dbraw/zinc/05/48/91/1266054891.db2.gz PMBMAPSILCINSI-RLLQIKCJSA-N 2 2 372.513 0.434 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982037 1266054900 /nfs/dbraw/zinc/05/49/00/1266054900.db2.gz PMBMAPSILCINSI-RLLQIKCJSA-N 2 2 372.513 0.434 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379091 1256729859 /nfs/dbraw/zinc/72/98/59/1256729859.db2.gz IZFAPUPPHMAPQV-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379091 1256729865 /nfs/dbraw/zinc/72/98/65/1256729865.db2.gz IZFAPUPPHMAPQV-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379091 1256729868 /nfs/dbraw/zinc/72/98/68/1256729868.db2.gz IZFAPUPPHMAPQV-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379091 1256729872 /nfs/dbraw/zinc/72/98/72/1256729872.db2.gz IZFAPUPPHMAPQV-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](OC)C2)cc1 ZINC001082395249 1256743883 /nfs/dbraw/zinc/74/38/83/1256743883.db2.gz INCSAUDUEDAHDP-QZTJIDSGSA-N 2 2 358.442 0.950 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](OC)C2)cc1 ZINC001082395249 1256743886 /nfs/dbraw/zinc/74/38/86/1256743886.db2.gz INCSAUDUEDAHDP-QZTJIDSGSA-N 2 2 358.442 0.950 20 0 FCADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458296 1256769927 /nfs/dbraw/zinc/76/99/27/1256769927.db2.gz GLCREFNUSAZLAO-BMFZPTHFSA-N 2 2 364.494 0.264 20 0 FCADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458296 1256769932 /nfs/dbraw/zinc/76/99/32/1256769932.db2.gz GLCREFNUSAZLAO-BMFZPTHFSA-N 2 2 364.494 0.264 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082493137 1256785822 /nfs/dbraw/zinc/78/58/22/1256785822.db2.gz XEZSXYRSDMYXIZ-ZIAGYGMSSA-N 2 2 357.462 0.907 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)on1 ZINC001082558150 1256855278 /nfs/dbraw/zinc/85/52/78/1256855278.db2.gz BCRVDZSRIGLHEY-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)nn1 ZINC001082601261 1256912599 /nfs/dbraw/zinc/91/25/99/1256912599.db2.gz SPSIORFVHPEEDW-JKIFEVAISA-N 2 2 370.457 0.881 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)on1 ZINC001082609009 1256919042 /nfs/dbraw/zinc/91/90/42/1256919042.db2.gz MIGZDJBKFVEGAD-IAQYHMDHSA-N 2 2 363.418 0.983 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)c1nncn1C ZINC001082609236 1256921239 /nfs/dbraw/zinc/92/12/39/1256921239.db2.gz YEFHEIKMVPSYKC-TYNCELHUSA-N 2 2 361.450 0.676 20 0 FCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)C1=O ZINC001082658575 1256961661 /nfs/dbraw/zinc/96/16/61/1256961661.db2.gz LJFMDGSKLFAMNP-OWCLPIDISA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082673647 1256972513 /nfs/dbraw/zinc/97/25/13/1256972513.db2.gz DCLJNPQFXQZPHA-UKRRQHHQSA-N 2 2 357.462 0.916 20 0 FCADLP O=C(C[NH+]1CCC2(CCNC2=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001330719654 1266082332 /nfs/dbraw/zinc/08/23/32/1266082332.db2.gz XKDSLOZXVGDNFK-UHFFFAOYSA-N 2 2 370.497 0.933 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)n3)C1)C2 ZINC001082743179 1257024189 /nfs/dbraw/zinc/02/41/89/1257024189.db2.gz MGAGYKNATWFPCU-HACGYAERSA-N 2 2 357.462 0.519 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)n1cc[nH+]c1 ZINC001082771473 1257042360 /nfs/dbraw/zinc/04/23/60/1257042360.db2.gz BRHSEWIHAPJIDN-BZUAXINKSA-N 2 2 363.462 0.130 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082807417 1257065387 /nfs/dbraw/zinc/06/53/87/1257065387.db2.gz HLUWYJOXIAVHQX-GDBMZVCRSA-N 2 2 363.462 0.144 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082838592 1257094442 /nfs/dbraw/zinc/09/44/42/1257094442.db2.gz DJLCMGZRRTUWGB-FRFSOERESA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082856539 1257106317 /nfs/dbraw/zinc/10/63/17/1257106317.db2.gz RRCOJTBPQLLGKA-UKPHBRMFSA-N 2 2 368.441 0.596 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001082884902 1257123362 /nfs/dbraw/zinc/12/33/62/1257123362.db2.gz PQSOUSJRWXTZGU-IAQYHMDHSA-N 2 2 357.462 0.903 20 0 FCADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923593 1257148067 /nfs/dbraw/zinc/14/80/67/1257148067.db2.gz RJQTVECDYJNAKL-SOLBZPMBSA-N 2 2 363.506 0.808 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082934612 1257156384 /nfs/dbraw/zinc/15/63/84/1257156384.db2.gz RMKCTANDTWFXSH-OLMNPRSZSA-N 2 2 361.490 0.467 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083065924 1257260084 /nfs/dbraw/zinc/26/00/84/1257260084.db2.gz ZWOCFJSGBCAAIN-RCCFBDPRSA-N 2 2 370.453 0.988 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083065924 1257260089 /nfs/dbraw/zinc/26/00/89/1257260089.db2.gz ZWOCFJSGBCAAIN-RCCFBDPRSA-N 2 2 370.453 0.988 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083080111 1257276912 /nfs/dbraw/zinc/27/69/12/1257276912.db2.gz GNXPEIJUZDARBG-YESZJQIVSA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21 ZINC001083080111 1257276918 /nfs/dbraw/zinc/27/69/18/1257276918.db2.gz GNXPEIJUZDARBG-YESZJQIVSA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083080111 1257276921 /nfs/dbraw/zinc/27/69/21/1257276921.db2.gz GNXPEIJUZDARBG-YESZJQIVSA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083080111 1257276927 /nfs/dbraw/zinc/27/69/27/1257276927.db2.gz GNXPEIJUZDARBG-YESZJQIVSA-N 2 2 362.478 0.063 20 0 FCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088737 1257290132 /nfs/dbraw/zinc/29/01/32/1257290132.db2.gz AJNSNOOINSHOLG-YESZJQIVSA-N 2 2 363.462 0.084 20 0 FCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@@H]3C[NH+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088737 1257290136 /nfs/dbraw/zinc/29/01/36/1257290136.db2.gz AJNSNOOINSHOLG-YESZJQIVSA-N 2 2 363.462 0.084 20 0 FCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088737 1257290141 /nfs/dbraw/zinc/29/01/41/1257290141.db2.gz AJNSNOOINSHOLG-YESZJQIVSA-N 2 2 363.462 0.084 20 0 FCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)n[nH]1 ZINC001083088737 1257290146 /nfs/dbraw/zinc/29/01/46/1257290146.db2.gz AJNSNOOINSHOLG-YESZJQIVSA-N 2 2 363.462 0.084 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCO1 ZINC001330830208 1266105416 /nfs/dbraw/zinc/10/54/16/1266105416.db2.gz CYPDYLVBTNQXNR-XYJFISCASA-N 2 2 374.485 0.466 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885261 1266111364 /nfs/dbraw/zinc/11/13/64/1266111364.db2.gz GDOCAMBQWBKKPQ-ZWKOTPCHSA-N 2 2 358.486 0.932 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885261 1266111368 /nfs/dbraw/zinc/11/13/68/1266111368.db2.gz GDOCAMBQWBKKPQ-ZWKOTPCHSA-N 2 2 358.486 0.932 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083151737 1257407395 /nfs/dbraw/zinc/40/73/95/1257407395.db2.gz RCNBFFAJTJLJAO-DLBZAZTESA-N 2 2 362.474 0.691 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083151737 1257407401 /nfs/dbraw/zinc/40/74/01/1257407401.db2.gz RCNBFFAJTJLJAO-DLBZAZTESA-N 2 2 362.474 0.691 20 0 FCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151273 1257407640 /nfs/dbraw/zinc/40/76/40/1257407640.db2.gz RCMYRYFHUCNKRS-VSZNYVQBSA-N 2 2 367.490 0.188 20 0 FCADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151273 1257407642 /nfs/dbraw/zinc/40/76/42/1257407642.db2.gz RCMYRYFHUCNKRS-VSZNYVQBSA-N 2 2 367.490 0.188 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)cn1 ZINC001083157775 1257414602 /nfs/dbraw/zinc/41/46/02/1257414602.db2.gz OPHOSSUEWPFUPI-DLBZAZTESA-N 2 2 358.446 0.161 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)cn1 ZINC001083157775 1257414604 /nfs/dbraw/zinc/41/46/04/1257414604.db2.gz OPHOSSUEWPFUPI-DLBZAZTESA-N 2 2 358.446 0.161 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CN(C)CC[N@@H+]1C ZINC001521342328 1266113376 /nfs/dbraw/zinc/11/33/76/1266113376.db2.gz FYYPASUKPTWLAJ-DOTOQJQBSA-N 2 2 351.495 0.987 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CN(C)CC[N@H+]1C ZINC001521342328 1266113379 /nfs/dbraw/zinc/11/33/79/1266113379.db2.gz FYYPASUKPTWLAJ-DOTOQJQBSA-N 2 2 351.495 0.987 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001083168746 1257428558 /nfs/dbraw/zinc/42/85/58/1257428558.db2.gz KBWUSLAOSSECFQ-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001083168746 1257428560 /nfs/dbraw/zinc/42/85/60/1257428560.db2.gz KBWUSLAOSSECFQ-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083168746 1257428562 /nfs/dbraw/zinc/42/85/62/1257428562.db2.gz KBWUSLAOSSECFQ-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083168746 1257428565 /nfs/dbraw/zinc/42/85/65/1257428565.db2.gz KBWUSLAOSSECFQ-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@@H]1O ZINC001083645672 1257463516 /nfs/dbraw/zinc/46/35/16/1257463516.db2.gz MYWQWSLVEDICET-CABCVRRESA-N 2 2 361.446 0.973 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@@H]1O ZINC001083645672 1257463519 /nfs/dbraw/zinc/46/35/19/1257463519.db2.gz MYWQWSLVEDICET-CABCVRRESA-N 2 2 361.446 0.973 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083645524 1257464277 /nfs/dbraw/zinc/46/42/77/1257464277.db2.gz FGGVAUYLVCLNDS-CVEARBPZSA-N 2 2 358.446 0.014 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083645524 1257464283 /nfs/dbraw/zinc/46/42/83/1257464283.db2.gz FGGVAUYLVCLNDS-CVEARBPZSA-N 2 2 358.446 0.014 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)cn1 ZINC001083782991 1257529150 /nfs/dbraw/zinc/52/91/50/1257529150.db2.gz VXTMCOFZTHNFSN-SJORKVTESA-N 2 2 363.506 0.339 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)cn1 ZINC001083782991 1257529154 /nfs/dbraw/zinc/52/91/54/1257529154.db2.gz VXTMCOFZTHNFSN-SJORKVTESA-N 2 2 363.506 0.339 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)cn1 ZINC001083782991 1257529160 /nfs/dbraw/zinc/52/91/60/1257529160.db2.gz VXTMCOFZTHNFSN-SJORKVTESA-N 2 2 363.506 0.339 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)cn1 ZINC001083782991 1257529163 /nfs/dbraw/zinc/52/91/63/1257529163.db2.gz VXTMCOFZTHNFSN-SJORKVTESA-N 2 2 363.506 0.339 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895732 1257669479 /nfs/dbraw/zinc/66/94/79/1257669479.db2.gz CTMVCAFFZSAWTH-KURKYZTESA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895732 1257669485 /nfs/dbraw/zinc/66/94/85/1257669485.db2.gz CTMVCAFFZSAWTH-KURKYZTESA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001083913389 1257693685 /nfs/dbraw/zinc/69/36/85/1257693685.db2.gz URABJKJZZROEKN-OLMNPRSZSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001083913389 1257693688 /nfs/dbraw/zinc/69/36/88/1257693688.db2.gz URABJKJZZROEKN-OLMNPRSZSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946376 1257732039 /nfs/dbraw/zinc/73/20/39/1257732039.db2.gz ITZWIOKFDPMBCS-XYPHTWIQSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946376 1257732043 /nfs/dbraw/zinc/73/20/43/1257732043.db2.gz ITZWIOKFDPMBCS-XYPHTWIQSA-N 2 2 357.414 0.079 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001083954372 1257742028 /nfs/dbraw/zinc/74/20/28/1257742028.db2.gz XBEYXJHTVAZZQY-YSGRDPCXSA-N 2 2 368.481 0.929 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001083954372 1257742032 /nfs/dbraw/zinc/74/20/32/1257742032.db2.gz XBEYXJHTVAZZQY-YSGRDPCXSA-N 2 2 368.481 0.929 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961333 1257752316 /nfs/dbraw/zinc/75/23/16/1257752316.db2.gz MYTLUHSQDGKHMT-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961333 1257752319 /nfs/dbraw/zinc/75/23/19/1257752319.db2.gz MYTLUHSQDGKHMT-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090784 1257915606 /nfs/dbraw/zinc/91/56/06/1257915606.db2.gz IQURATSFSNGYFU-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090784 1257915612 /nfs/dbraw/zinc/91/56/12/1257915612.db2.gz IQURATSFSNGYFU-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001084116432 1257935676 /nfs/dbraw/zinc/93/56/76/1257935676.db2.gz QRWRRYXXOFDBSY-MSOLQXFVSA-N 2 2 366.425 0.430 20 0 FCADLP 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CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869420 1258982714 /nfs/dbraw/zinc/98/27/14/1258982714.db2.gz DIRDVXIVDRWWTO-ZIAGYGMSSA-N 2 2 356.430 0.311 20 0 FCADLP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2)[NH+](C)C ZINC001107553327 1259116911 /nfs/dbraw/zinc/11/69/11/1259116911.db2.gz GBJXOWRHJNYCRM-PMUMKWKESA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2)[NH+](C)C ZINC001107553327 1259116917 /nfs/dbraw/zinc/11/69/17/1259116917.db2.gz GBJXOWRHJNYCRM-PMUMKWKESA-N 2 2 364.494 0.309 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107574178 1259121615 /nfs/dbraw/zinc/12/16/15/1259121615.db2.gz RIPNFAIPNOEKRX-SZVBFZGTSA-N 2 2 364.490 0.958 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107574178 1259121616 /nfs/dbraw/zinc/12/16/16/1259121616.db2.gz RIPNFAIPNOEKRX-SZVBFZGTSA-N 2 2 364.490 0.958 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107574178 1259121621 /nfs/dbraw/zinc/12/16/21/1259121621.db2.gz RIPNFAIPNOEKRX-SZVBFZGTSA-N 2 2 364.490 0.958 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107574178 1259121625 /nfs/dbraw/zinc/12/16/25/1259121625.db2.gz RIPNFAIPNOEKRX-SZVBFZGTSA-N 2 2 364.490 0.958 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622902 1259135895 /nfs/dbraw/zinc/13/58/95/1259135895.db2.gz GQIQHCWCZXYXJO-ZHALLVOQSA-N 2 2 364.490 0.721 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622902 1259135904 /nfs/dbraw/zinc/13/59/04/1259135904.db2.gz GQIQHCWCZXYXJO-ZHALLVOQSA-N 2 2 364.490 0.721 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107634400 1259139832 /nfs/dbraw/zinc/13/98/32/1259139832.db2.gz XLMGJXJJSBRLTH-RHSMWYFYSA-N 2 2 358.450 0.276 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107634400 1259139837 /nfs/dbraw/zinc/13/98/37/1259139837.db2.gz XLMGJXJJSBRLTH-RHSMWYFYSA-N 2 2 358.450 0.276 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cn(C)nn1)CC2 ZINC001107633729 1259140309 /nfs/dbraw/zinc/14/03/09/1259140309.db2.gz APTUYTMWKUIWIZ-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cn(C)nn1)CC2 ZINC001107633729 1259140313 /nfs/dbraw/zinc/14/03/13/1259140313.db2.gz APTUYTMWKUIWIZ-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2 ZINC001107654053 1259143644 /nfs/dbraw/zinc/14/36/44/1259143644.db2.gz CTBUNFOTYGDUMS-VQIMIIECSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC1CC1)CC2 ZINC001107654053 1259143651 /nfs/dbraw/zinc/14/36/51/1259143651.db2.gz CTBUNFOTYGDUMS-VQIMIIECSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107654736 1259143883 /nfs/dbraw/zinc/14/38/83/1259143883.db2.gz GYLAGRYXOWYAQK-CRAIPNDOSA-N 2 2 360.462 0.269 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107654736 1259143885 /nfs/dbraw/zinc/14/38/85/1259143885.db2.gz GYLAGRYXOWYAQK-CRAIPNDOSA-N 2 2 360.462 0.269 20 0 FCADLP Cc1cc(NCCOCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001127517529 1259177993 /nfs/dbraw/zinc/17/79/93/1259177993.db2.gz LMFKVLLOSYKDPH-GDBMZVCRSA-N 2 2 365.478 0.699 20 0 FCADLP Cc1cc(NCCOCCN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001127517529 1259177997 /nfs/dbraw/zinc/17/79/97/1259177997.db2.gz LMFKVLLOSYKDPH-GDBMZVCRSA-N 2 2 365.478 0.699 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001127548194 1259178882 /nfs/dbraw/zinc/17/88/82/1259178882.db2.gz YOGIDAUPUGJJJC-NVXWUHKLSA-N 2 2 356.474 0.836 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204471 1259344628 /nfs/dbraw/zinc/34/46/28/1259344628.db2.gz FJHITKJQBPPNJO-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204471 1259344635 /nfs/dbraw/zinc/34/46/35/1259344635.db2.gz FJHITKJQBPPNJO-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130249278 1259376065 /nfs/dbraw/zinc/37/60/65/1259376065.db2.gz VGCDIXVXVPIAPL-KBPBESRZSA-N 2 2 361.450 0.497 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130249278 1259376069 /nfs/dbraw/zinc/37/60/69/1259376069.db2.gz VGCDIXVXVPIAPL-KBPBESRZSA-N 2 2 361.450 0.497 20 0 FCADLP COC(=O)C1CCN(c2ncc(NC(=[NH2+])N3CC[NH+](C)CC3)cn2)CC1 ZINC001168737030 1259390995 /nfs/dbraw/zinc/39/09/95/1259390995.db2.gz NFLLFAUDHZDYFJ-UHFFFAOYSA-N 2 2 361.450 0.460 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199023342 1259412946 /nfs/dbraw/zinc/41/29/46/1259412946.db2.gz FUVBYODRARHUJN-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1)C1CC1 ZINC001199023342 1259412951 /nfs/dbraw/zinc/41/29/51/1259412951.db2.gz FUVBYODRARHUJN-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408155 1259494097 /nfs/dbraw/zinc/49/40/97/1259494097.db2.gz MZFASUKOLLLMMP-RRFJBIMHSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408155 1259494100 /nfs/dbraw/zinc/49/41/00/1259494100.db2.gz MZFASUKOLLLMMP-RRFJBIMHSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212411040 1259496001 /nfs/dbraw/zinc/49/60/01/1259496001.db2.gz ZSSMGKNKPZRPBV-NUJGCVRESA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212411040 1259496005 /nfs/dbraw/zinc/49/60/05/1259496005.db2.gz ZSSMGKNKPZRPBV-NUJGCVRESA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419162 1259498746 /nfs/dbraw/zinc/49/87/46/1259498746.db2.gz VKZLLWIXRHLQGD-DJIMGWMZSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419162 1259498751 /nfs/dbraw/zinc/49/87/51/1259498751.db2.gz VKZLLWIXRHLQGD-DJIMGWMZSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212419162 1259498755 /nfs/dbraw/zinc/49/87/55/1259498755.db2.gz VKZLLWIXRHLQGD-DJIMGWMZSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212419162 1259498761 /nfs/dbraw/zinc/49/87/61/1259498761.db2.gz VKZLLWIXRHLQGD-DJIMGWMZSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430259 1259502005 /nfs/dbraw/zinc/50/20/05/1259502005.db2.gz GXUZNDGHZGGARM-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430259 1259502011 /nfs/dbraw/zinc/50/20/11/1259502011.db2.gz GXUZNDGHZGGARM-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430259 1259502015 /nfs/dbraw/zinc/50/20/15/1259502015.db2.gz GXUZNDGHZGGARM-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430259 1259502020 /nfs/dbraw/zinc/50/20/20/1259502020.db2.gz GXUZNDGHZGGARM-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001212477100 1259517756 /nfs/dbraw/zinc/51/77/56/1259517756.db2.gz SFKRIDJWLRTJIG-CGTJXYLNSA-N 2 2 364.490 0.934 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001212477100 1259517762 /nfs/dbraw/zinc/51/77/62/1259517762.db2.gz SFKRIDJWLRTJIG-CGTJXYLNSA-N 2 2 364.490 0.934 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483570 1259519291 /nfs/dbraw/zinc/51/92/91/1259519291.db2.gz MXEJNOJJNDXTBP-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483570 1259519298 /nfs/dbraw/zinc/51/92/98/1259519298.db2.gz MXEJNOJJNDXTBP-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483570 1259519304 /nfs/dbraw/zinc/51/93/04/1259519304.db2.gz MXEJNOJJNDXTBP-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483570 1259519309 /nfs/dbraw/zinc/51/93/09/1259519309.db2.gz MXEJNOJJNDXTBP-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CN1CCN(C2C[NH+](Cc3cccc(N4CC[NH+](C)CC4)c3)C2)CC1=O ZINC001236889437 1259592329 /nfs/dbraw/zinc/59/23/29/1259592329.db2.gz IAQLWPJBXYQHAN-UHFFFAOYSA-N 2 2 357.502 0.397 20 0 FCADLP C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236970569 1259595653 /nfs/dbraw/zinc/59/56/53/1259595653.db2.gz UEOUIIHLYPSNKN-UHFFFAOYSA-N 2 2 364.465 0.868 20 0 FCADLP C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236970569 1259595659 /nfs/dbraw/zinc/59/56/59/1259595659.db2.gz UEOUIIHLYPSNKN-UHFFFAOYSA-N 2 2 364.465 0.868 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335340156 1259615313 /nfs/dbraw/zinc/61/53/13/1259615313.db2.gz ZWNUTBHOBGRHGC-UHFFFAOYSA-N 2 2 354.495 0.651 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335340156 1259615323 /nfs/dbraw/zinc/61/53/23/1259615323.db2.gz ZWNUTBHOBGRHGC-UHFFFAOYSA-N 2 2 354.495 0.651 20 0 FCADLP CCOC(=O)c1cccc(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001239286387 1259623956 /nfs/dbraw/zinc/62/39/56/1259623956.db2.gz IKXHHQHVLDVXLO-UHFFFAOYSA-N 2 2 363.462 0.480 20 0 FCADLP C[NH+]1CCN(c2nccnc2-c2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001240540702 1259627471 /nfs/dbraw/zinc/62/74/71/1259627471.db2.gz AEPJPYAOQNKRPP-UHFFFAOYSA-N 2 2 357.462 0.424 20 0 FCADLP O=C(C[NH2+]C[C@H](O)Cn1cccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001335365977 1259627538 /nfs/dbraw/zinc/62/75/38/1259627538.db2.gz CEXNGYUINJSYNP-SFHVURJKSA-N 2 2 357.458 0.178 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccnc(-c3cnc(N4CC[NH2+]CC4)nc3)c2)CC1 ZINC001241894954 1259631607 /nfs/dbraw/zinc/63/16/07/1259631607.db2.gz QHAKBYACDQMIGN-UHFFFAOYSA-N 2 2 367.457 0.336 20 0 FCADLP O=C(c1cccnc1-c1ccc(C[NH+]2CC(O)C2)cc1)N1CC[NH2+]CC1 ZINC001243637535 1259638936 /nfs/dbraw/zinc/63/89/36/1259638936.db2.gz PRAZOVFBKKTXMR-UHFFFAOYSA-N 2 2 352.438 0.971 20 0 FCADLP C[C@H](C[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)Cn1cc[nH+]c1 ZINC001335394533 1259642802 /nfs/dbraw/zinc/64/28/02/1259642802.db2.gz JRNRCTNMUMBQHC-ZBFHGGJFSA-N 2 2 357.414 0.987 20 0 FCADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049349 1259646436 /nfs/dbraw/zinc/64/64/36/1259646436.db2.gz QTKSJMPOHQAAJF-CEXWTWQISA-N 3 2 368.472 0.550 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CN1 ZINC001246077310 1259648102 /nfs/dbraw/zinc/64/81/02/1259648102.db2.gz SOJXDBIEVWNXRE-WMZOPIPTSA-N 2 2 363.458 0.391 20 0 FCADLP c1cncc(COCc2nnn3c2C[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246721229 1259669109 /nfs/dbraw/zinc/66/91/09/1259669109.db2.gz PVWILSCQHMPYTB-INIZCTEOSA-N 2 2 369.473 0.300 20 0 FCADLP c1cncc(COCc2nnn3c2C[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246721229 1259669112 /nfs/dbraw/zinc/66/91/12/1259669112.db2.gz PVWILSCQHMPYTB-INIZCTEOSA-N 2 2 369.473 0.300 20 0 FCADLP C[C@H]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C[NH2+]1 ZINC001246768819 1259686927 /nfs/dbraw/zinc/68/69/27/1259686927.db2.gz CLESXTAPJLKJAM-HOCLYGCPSA-N 2 2 371.489 0.545 20 0 FCADLP C[C@@H]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C[NH2+]1 ZINC001246768801 1259687033 /nfs/dbraw/zinc/68/70/33/1259687033.db2.gz CLESXTAPJLKJAM-GDBMZVCRSA-N 2 2 371.489 0.545 20 0 FCADLP CCOC(=O)[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005753 1259697848 /nfs/dbraw/zinc/69/78/48/1259697848.db2.gz GGNSKEABLURJGA-ILXRZTDVSA-N 2 2 367.490 0.533 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247126498 1259699940 /nfs/dbraw/zinc/69/99/40/1259699940.db2.gz HTZXNNHIGSVDHB-OAHLLOKOSA-N 2 2 353.386 0.920 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247126498 1259699945 /nfs/dbraw/zinc/69/99/45/1259699945.db2.gz HTZXNNHIGSVDHB-OAHLLOKOSA-N 2 2 353.386 0.920 20 0 FCADLP COc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c(OC)c1 ZINC001247332191 1259700176 /nfs/dbraw/zinc/70/01/76/1259700176.db2.gz KBSKORWJECFPPA-ZDUSSCGKSA-N 2 2 372.385 0.663 20 0 FCADLP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]([NH3+])CCc3nn[nH]n3)n2)CC1 ZINC001247284300 1259700211 /nfs/dbraw/zinc/70/02/11/1259700211.db2.gz LHXHYARGQHHPEP-ZDUSSCGKSA-N 2 2 369.433 0.634 20 0 FCADLP COc1ccc(OC)c(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247333271 1259701757 /nfs/dbraw/zinc/70/17/57/1259701757.db2.gz LBJMCBHIFJKNOP-ZDUSSCGKSA-N 2 2 372.385 0.663 20 0 FCADLP COc1cccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1F ZINC001247334471 1259701785 /nfs/dbraw/zinc/70/17/85/1259701785.db2.gz RSCXHCHIWUSHQS-NSHDSACASA-N 2 2 360.349 0.794 20 0 FCADLP COc1cc(NC[C@@H](O)C[NH+]2CCOCC2)ccc1N1CC[NH+](C)CC1 ZINC001251034538 1259734542 /nfs/dbraw/zinc/73/45/42/1259734542.db2.gz RJALPXCAPSMSAU-QGZVFWFLSA-N 2 2 364.490 0.552 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)C[NH+]3CCC(CO)CC3)ccn2)CC1 ZINC001335717117 1259802139 /nfs/dbraw/zinc/80/21/39/1259802139.db2.gz SEFDQCGZWVBXFT-UHFFFAOYSA-N 2 2 361.490 0.154 20 0 FCADLP COC(=O)CC(CC(=O)OC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948450 1259813393 /nfs/dbraw/zinc/81/33/93/1259813393.db2.gz OUGGVWXFKCUWLD-IBGZPJMESA-N 2 2 364.442 0.708 20 0 FCADLP COC(=O)CC(CC(=O)OC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948450 1259813400 /nfs/dbraw/zinc/81/34/00/1259813400.db2.gz OUGGVWXFKCUWLD-IBGZPJMESA-N 2 2 364.442 0.708 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001253185765 1259828455 /nfs/dbraw/zinc/82/84/55/1259828455.db2.gz TVJUNGNLRRGOCK-YQVWRLOYSA-N 2 2 371.522 0.417 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001253185765 1259828460 /nfs/dbraw/zinc/82/84/60/1259828460.db2.gz TVJUNGNLRRGOCK-YQVWRLOYSA-N 2 2 371.522 0.417 20 0 FCADLP CC[NH+](CC)C[C@H](O)CN1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001253185841 1259829089 /nfs/dbraw/zinc/82/90/89/1259829089.db2.gz IPOILAUYFLDEQH-KRWDZBQOSA-N 2 2 364.538 0.825 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ncnc(N3CCOCC3)c2CC1 ZINC001253388353 1259837760 /nfs/dbraw/zinc/83/77/60/1259837760.db2.gz HZRAABVJVCOORC-OAHLLOKOSA-N 2 2 363.506 0.463 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ncnc(N3CCOCC3)c2CC1 ZINC001253388353 1259837764 /nfs/dbraw/zinc/83/77/64/1259837764.db2.gz HZRAABVJVCOORC-OAHLLOKOSA-N 2 2 363.506 0.463 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC001254422205 1259883962 /nfs/dbraw/zinc/88/39/62/1259883962.db2.gz DXWJYDSPEUSXJC-UHFFFAOYSA-N 2 2 358.446 0.813 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254804709 1259896705 /nfs/dbraw/zinc/89/67/05/1259896705.db2.gz VRPYWTUSIDXJGF-CQSZACIVSA-N 2 2 367.494 0.927 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])NC2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255052934 1259903877 /nfs/dbraw/zinc/90/38/77/1259903877.db2.gz YUETVXZANNWTGN-GOOCMWNKSA-N 2 2 367.494 0.925 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H]1CCC[N@H+](C)C1)CC2 ZINC001255487384 1259917102 /nfs/dbraw/zinc/91/71/02/1259917102.db2.gz BYMLZWGARRYFOE-HNNXBMFYSA-N 2 2 360.506 0.260 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H]1CCC[N@@H+](C)C1)CC2 ZINC001255487384 1259917109 /nfs/dbraw/zinc/91/71/09/1259917109.db2.gz BYMLZWGARRYFOE-HNNXBMFYSA-N 2 2 360.506 0.260 20 0 FCADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205465 1259937491 /nfs/dbraw/zinc/93/74/91/1259937491.db2.gz SYPPDNBMBIQHGS-FQEVSTJZSA-N 2 2 371.485 0.815 20 0 FCADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205465 1259937498 /nfs/dbraw/zinc/93/74/98/1259937498.db2.gz SYPPDNBMBIQHGS-FQEVSTJZSA-N 2 2 371.485 0.815 20 0 FCADLP COC(=O)[C@H]1C[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001256255281 1259940855 /nfs/dbraw/zinc/94/08/55/1259940855.db2.gz SJERUNJLRIAEDD-QWHCGFSZSA-N 2 2 369.466 0.309 20 0 FCADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001257218102 1260002968 /nfs/dbraw/zinc/00/29/68/1260002968.db2.gz YPPUVZPFJIOFBK-IEBWSBKVSA-N 3 2 366.550 0.970 20 0 FCADLP CC(C)[NH+]1CCC([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001257218102 1260002975 /nfs/dbraw/zinc/00/29/75/1260002975.db2.gz YPPUVZPFJIOFBK-IEBWSBKVSA-N 3 2 366.550 0.970 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001257218102 1260002982 /nfs/dbraw/zinc/00/29/82/1260002982.db2.gz YPPUVZPFJIOFBK-IEBWSBKVSA-N 3 2 366.550 0.970 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001257218102 1260002990 /nfs/dbraw/zinc/00/29/90/1260002990.db2.gz YPPUVZPFJIOFBK-IEBWSBKVSA-N 3 2 366.550 0.970 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC001336880673 1260245717 /nfs/dbraw/zinc/24/57/17/1260245717.db2.gz XZQLALWPUWDVKW-AAILRHKWSA-N 2 2 366.506 0.507 20 0 FCADLP c1cn(CCn2cc(CN3CCC([NH2+]C4CCOCC4)CC3)nn2)c[nH+]1 ZINC001336897199 1260248734 /nfs/dbraw/zinc/24/87/34/1260248734.db2.gz QTPLOFZATGCOCQ-UHFFFAOYSA-N 2 2 359.478 0.908 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001336978332 1260274046 /nfs/dbraw/zinc/27/40/46/1260274046.db2.gz QVQGCJOPFNBQFS-ZACQAIPSSA-N 2 2 354.495 0.635 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265496466 1260414470 /nfs/dbraw/zinc/41/44/70/1260414470.db2.gz VKZSTNIWKUFCSS-RFBLXINOSA-N 2 2 361.490 0.921 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001337601700 1260438330 /nfs/dbraw/zinc/43/83/30/1260438330.db2.gz OCKTXAFUHMAEDH-OAHLLOKOSA-N 2 2 362.499 0.994 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001337601700 1260438333 /nfs/dbraw/zinc/43/83/33/1260438333.db2.gz OCKTXAFUHMAEDH-OAHLLOKOSA-N 2 2 362.499 0.994 20 0 FCADLP CC[NH+](CC)CCC(=O)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272643077 1260471378 /nfs/dbraw/zinc/47/13/78/1260471378.db2.gz UPULVKNXRJFTIV-UHFFFAOYSA-N 2 2 363.462 0.055 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001272993409 1260555369 /nfs/dbraw/zinc/55/53/69/1260555369.db2.gz RBFPUYFMXAJJDO-INIZCTEOSA-N 2 2 361.490 0.922 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)CCc2c[nH]c[nH+]2)C3)CC1 ZINC001273016197 1260565521 /nfs/dbraw/zinc/56/55/21/1260565521.db2.gz VSIMUFGUMUYAJX-MRXNPFEDSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)CCc2c[nH+]c[nH]2)C3)CC1 ZINC001273016197 1260565528 /nfs/dbraw/zinc/56/55/28/1260565528.db2.gz VSIMUFGUMUYAJX-MRXNPFEDSA-N 2 2 359.474 0.743 20 0 FCADLP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001273218924 1260628377 /nfs/dbraw/zinc/62/83/77/1260628377.db2.gz ZHFHOOLPQFXCFZ-NPYXIHBLSA-N 2 2 361.490 0.845 20 0 FCADLP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273218924 1260628384 /nfs/dbraw/zinc/62/83/84/1260628384.db2.gz ZHFHOOLPQFXCFZ-NPYXIHBLSA-N 2 2 361.490 0.845 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)CCc3ccc(N)[nH+]c3)C2)C1=O ZINC001273226945 1260630751 /nfs/dbraw/zinc/63/07/51/1260630751.db2.gz GODMRLADORFOBD-IBGZPJMESA-N 2 2 359.474 0.609 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)[C@@H]1CCCNC1=O ZINC001273254624 1260637884 /nfs/dbraw/zinc/63/78/84/1260637884.db2.gz OBEQSMLDWOOJLX-LZQZEXGQSA-N 2 2 359.474 0.961 20 0 FCADLP Cn1c[nH+]cc1CN1c2ccccc2[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001277730760 1260666250 /nfs/dbraw/zinc/66/62/50/1260666250.db2.gz PGYWPOSQJCFCSQ-KXBFYZLASA-N 2 2 356.426 0.264 20 0 FCADLP Cn1c[nH+]cc1CN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001277730760 1260666257 /nfs/dbraw/zinc/66/62/57/1260666257.db2.gz PGYWPOSQJCFCSQ-KXBFYZLASA-N 2 2 356.426 0.264 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@H+]2C[C@H]3CN(CCn4cc[nH+]c4)C[C@@H](C2)O3)C1 ZINC001278182685 1260685997 /nfs/dbraw/zinc/68/59/97/1260685997.db2.gz NKEYTSDMMYYFCA-QRVBRYPASA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@H]3CN(CCn4cc[nH+]c4)C[C@@H](C2)O3)C1 ZINC001278182685 1260686003 /nfs/dbraw/zinc/68/60/03/1260686003.db2.gz NKEYTSDMMYYFCA-QRVBRYPASA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001278185196 1260686260 /nfs/dbraw/zinc/68/62/60/1260686260.db2.gz ZEANRURYPJGSQA-GBESFXJTSA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001278185196 1260686266 /nfs/dbraw/zinc/68/62/66/1260686266.db2.gz ZEANRURYPJGSQA-GBESFXJTSA-N 2 2 361.490 0.527 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@@H]3CCOC3)C2)N1 ZINC001278464485 1260694629 /nfs/dbraw/zinc/69/46/29/1260694629.db2.gz UAELIDYQYMAKAK-HKUYNNGSSA-N 2 2 361.490 0.576 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@@H]3CCOC3)C2)N1 ZINC001278464485 1260694637 /nfs/dbraw/zinc/69/46/37/1260694637.db2.gz UAELIDYQYMAKAK-HKUYNNGSSA-N 2 2 361.490 0.576 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@H+](Cc4c[nH]c5nccnc45)C[C@H]32)c[nH+]1 ZINC001278853293 1260742268 /nfs/dbraw/zinc/74/22/68/1260742268.db2.gz RYIKVZCWRHZMJE-CVEARBPZSA-N 2 2 353.430 0.691 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](Cc4c[nH]c5nccnc45)C[C@H]32)c[nH+]1 ZINC001278853293 1260742271 /nfs/dbraw/zinc/74/22/71/1260742271.db2.gz RYIKVZCWRHZMJE-CVEARBPZSA-N 2 2 353.430 0.691 20 0 FCADLP CCOC(=O)c1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001279016160 1260773873 /nfs/dbraw/zinc/77/38/73/1260773873.db2.gz KVBJYNUCLWYJQV-ZIAGYGMSSA-N 2 2 361.446 0.229 20 0 FCADLP CCOC(=O)c1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001279016160 1260773876 /nfs/dbraw/zinc/77/38/76/1260773876.db2.gz KVBJYNUCLWYJQV-ZIAGYGMSSA-N 2 2 361.446 0.229 20 0 FCADLP Cc1cnc(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)cn1 ZINC001279423304 1260866191 /nfs/dbraw/zinc/86/61/91/1260866191.db2.gz NIIGHEBPYQGYHV-IBGZPJMESA-N 2 2 360.506 0.503 20 0 FCADLP Cc1cnc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)cn1 ZINC001279423304 1260866193 /nfs/dbraw/zinc/86/61/93/1260866193.db2.gz NIIGHEBPYQGYHV-IBGZPJMESA-N 2 2 360.506 0.503 20 0 FCADLP Cn1ncnc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616506 1260899623 /nfs/dbraw/zinc/89/96/23/1260899623.db2.gz MCMSZWBLVRHVRS-SFHVURJKSA-N 2 2 355.446 0.751 20 0 FCADLP Cn1ncnc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616506 1260899634 /nfs/dbraw/zinc/89/96/34/1260899634.db2.gz MCMSZWBLVRHVRS-SFHVURJKSA-N 2 2 355.446 0.751 20 0 FCADLP CCOC(=O)c1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)n1 ZINC001279645174 1260907373 /nfs/dbraw/zinc/90/73/73/1260907373.db2.gz ACRAMNSKNNWJFQ-MSOLQXFVSA-N 2 2 362.474 0.705 20 0 FCADLP CCOC(=O)c1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)n1 ZINC001279645174 1260907381 /nfs/dbraw/zinc/90/73/81/1260907381.db2.gz ACRAMNSKNNWJFQ-MSOLQXFVSA-N 2 2 362.474 0.705 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)cn1 ZINC001279845938 1260942910 /nfs/dbraw/zinc/94/29/10/1260942910.db2.gz OSEAEOVOLBYYDE-DLBZAZTESA-N 2 2 357.458 0.787 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)cn1 ZINC001279845938 1260942913 /nfs/dbraw/zinc/94/29/13/1260942913.db2.gz OSEAEOVOLBYYDE-DLBZAZTESA-N 2 2 357.458 0.787 20 0 FCADLP C[NH+]1CCC(NC(=O)c2ccc3c(n2)CC[N@@H+](Cc2cn[nH]n2)C3)CC1 ZINC001279926695 1260965715 /nfs/dbraw/zinc/96/57/15/1260965715.db2.gz JUGKDFCMCROWJI-UHFFFAOYSA-N 2 2 355.446 0.582 20 0 FCADLP C[NH+]1CCC(NC(=O)c2ccc3c(n2)CC[N@H+](Cc2cn[nH]n2)C3)CC1 ZINC001279926695 1260965717 /nfs/dbraw/zinc/96/57/17/1260965717.db2.gz JUGKDFCMCROWJI-UHFFFAOYSA-N 2 2 355.446 0.582 20 0 FCADLP CCN(C)c1nc(N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)[nH+]cc1C ZINC001280111861 1261005741 /nfs/dbraw/zinc/00/57/41/1261005741.db2.gz KJXDQVWFVFLFMY-GJZGRUSLSA-N 2 2 358.490 0.888 20 0 FCADLP CCN(C)c1nc(N2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)[nH+]cc1C ZINC001280111861 1261005744 /nfs/dbraw/zinc/00/57/44/1261005744.db2.gz KJXDQVWFVFLFMY-GJZGRUSLSA-N 2 2 358.490 0.888 20 0 FCADLP CCOC(=O)c1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)nn1C ZINC001280296813 1261051197 /nfs/dbraw/zinc/05/11/97/1261051197.db2.gz XFHBVEDULIRPBS-IYBDPMFKSA-N 2 2 365.478 0.043 20 0 FCADLP CCOC(=O)c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)nn1C ZINC001280296813 1261051204 /nfs/dbraw/zinc/05/12/04/1261051204.db2.gz XFHBVEDULIRPBS-IYBDPMFKSA-N 2 2 365.478 0.043 20 0 FCADLP Cc1[nH+]c[nH]c1CN1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280344930 1261060226 /nfs/dbraw/zinc/06/02/26/1261060226.db2.gz WKGNSECHWYDYHE-UHFFFAOYSA-N 2 2 357.462 0.824 20 0 FCADLP Cc1[nH+]c[nH]c1CN1CCn2c(ncc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280344450 1261060478 /nfs/dbraw/zinc/06/04/78/1261060478.db2.gz PMWNPBVTMOSMNW-UHFFFAOYSA-N 2 2 357.462 0.754 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001281691103 1261154293 /nfs/dbraw/zinc/15/42/93/1261154293.db2.gz NVLPHEKQSXCEAE-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001281691103 1261154296 /nfs/dbraw/zinc/15/42/96/1261154296.db2.gz NVLPHEKQSXCEAE-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001282011750 1261331164 /nfs/dbraw/zinc/33/11/64/1261331164.db2.gz QXTBWZMLCVBHAK-HZPDHXFCSA-N 2 2 361.490 0.991 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001283936231 1261718608 /nfs/dbraw/zinc/71/86/08/1261718608.db2.gz CHPTUZVRVWASIU-OAGGEKHMSA-N 2 2 370.457 0.740 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001284912560 1261795277 /nfs/dbraw/zinc/79/52/77/1261795277.db2.gz NSAHRYDSMZBTAT-KFWWJZLASA-N 2 2 365.453 0.531 20 0 FCADLP CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298004300 1262905522 /nfs/dbraw/zinc/90/55/22/1262905522.db2.gz VXAKGQNPPLRWOR-OAGGEKHMSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298004300 1262905528 /nfs/dbraw/zinc/90/55/28/1262905528.db2.gz VXAKGQNPPLRWOR-OAGGEKHMSA-N 2 2 363.506 0.950 20 0 FCADLP Nc1[nH+]cccc1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001479179384 1263176214 /nfs/dbraw/zinc/17/62/14/1263176214.db2.gz WTRZQIWAUCQFGN-INIZCTEOSA-N 2 2 362.478 0.260 20 0 FCADLP Nc1[nH+]cccc1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479179384 1263176220 /nfs/dbraw/zinc/17/62/20/1263176220.db2.gz WTRZQIWAUCQFGN-INIZCTEOSA-N 2 2 362.478 0.260 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316644142 1263391534 /nfs/dbraw/zinc/39/15/34/1263391534.db2.gz KEXFEURDPLQMFS-BHYGNILZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316644142 1263391546 /nfs/dbraw/zinc/39/15/46/1263391546.db2.gz KEXFEURDPLQMFS-BHYGNILZSA-N 2 2 358.486 0.786 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001316758589 1263463249 /nfs/dbraw/zinc/46/32/49/1263463249.db2.gz IHRZDDDUTZDROF-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001316758589 1263463253 /nfs/dbraw/zinc/46/32/53/1263463253.db2.gz IHRZDDDUTZDROF-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001316758589 1263463256 /nfs/dbraw/zinc/46/32/56/1263463256.db2.gz IHRZDDDUTZDROF-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001316758589 1263463260 /nfs/dbraw/zinc/46/32/60/1263463260.db2.gz IHRZDDDUTZDROF-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316761341 1263466505 /nfs/dbraw/zinc/46/65/05/1263466505.db2.gz UHOOQYSOXFQASH-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001316761341 1263466508 /nfs/dbraw/zinc/46/65/08/1263466508.db2.gz UHOOQYSOXFQASH-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CCn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC001492163245 1263640484 /nfs/dbraw/zinc/64/04/84/1263640484.db2.gz LZNKCMLXZNEWCL-NVXWUHKLSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)CCn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC001492163245 1263640506 /nfs/dbraw/zinc/64/05/06/1263640506.db2.gz LZNKCMLXZNEWCL-NVXWUHKLSA-N 2 2 361.490 0.968 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001492939513 1263685096 /nfs/dbraw/zinc/68/50/96/1263685096.db2.gz WMEHCPRMPBOYHS-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001492939513 1263685106 /nfs/dbraw/zinc/68/51/06/1263685106.db2.gz WMEHCPRMPBOYHS-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001492939513 1263685116 /nfs/dbraw/zinc/68/51/16/1263685116.db2.gz WMEHCPRMPBOYHS-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001492939513 1263685125 /nfs/dbraw/zinc/68/51/25/1263685125.db2.gz WMEHCPRMPBOYHS-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574148 1263709733 /nfs/dbraw/zinc/70/97/33/1263709733.db2.gz XPDKDPFLRDKXKE-DLBZAZTESA-N 2 2 365.522 0.665 20 0 FCADLP CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574148 1263709736 /nfs/dbraw/zinc/70/97/36/1263709736.db2.gz XPDKDPFLRDKXKE-DLBZAZTESA-N 2 2 365.522 0.665 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001319876819 1263740314 /nfs/dbraw/zinc/74/03/14/1263740314.db2.gz QWMPCJRFVMRGQA-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)Cc3nnnn3C)CC2)CC[N@H+]1C ZINC001319876819 1263740318 /nfs/dbraw/zinc/74/03/18/1263740318.db2.gz QWMPCJRFVMRGQA-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@H+](C)Cc3nnnn3C)CC2)CC[NH+]1C ZINC001319876819 1263740326 /nfs/dbraw/zinc/74/03/26/1263740326.db2.gz QWMPCJRFVMRGQA-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CC[N@@H+](C)Cc3nnnn3C)CC2)CC[NH+]1C ZINC001319876819 1263740328 /nfs/dbraw/zinc/74/03/28/1263740328.db2.gz QWMPCJRFVMRGQA-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001319945050 1263746512 /nfs/dbraw/zinc/74/65/12/1263746512.db2.gz FJMQJFHKILWOJV-OAHLLOKOSA-N 2 2 365.522 0.665 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001319945050 1263746518 /nfs/dbraw/zinc/74/65/18/1263746518.db2.gz FJMQJFHKILWOJV-OAHLLOKOSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001320376414 1263790293 /nfs/dbraw/zinc/79/02/93/1263790293.db2.gz OUMJOQGIDRDARR-BHIYHBOVSA-N 2 2 364.534 0.724 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001320376414 1263790298 /nfs/dbraw/zinc/79/02/98/1263790298.db2.gz OUMJOQGIDRDARR-BHIYHBOVSA-N 2 2 364.534 0.724 20 0 FCADLP CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001496571928 1263884315 /nfs/dbraw/zinc/88/43/15/1263884315.db2.gz BRIFPDKKMNDIKZ-HUUCEWRRSA-N 2 2 359.474 0.727 20 0 FCADLP CN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001496598058 1263885771 /nfs/dbraw/zinc/88/57/71/1263885771.db2.gz DYMIDTKGSGYVKU-SJORKVTESA-N 2 2 369.469 0.872 20 0 FCADLP CN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001496598058 1263885778 /nfs/dbraw/zinc/88/57/78/1263885778.db2.gz DYMIDTKGSGYVKU-SJORKVTESA-N 2 2 369.469 0.872 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCc3ccccn3)CC2)CC1 ZINC001321284552 1263929063 /nfs/dbraw/zinc/92/90/63/1263929063.db2.gz AEKQPZGVHZANSJ-UHFFFAOYSA-N 2 2 373.501 0.415 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001499967306 1264052411 /nfs/dbraw/zinc/05/24/11/1264052411.db2.gz HMULVBKEDJFQHA-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001499967306 1264052420 /nfs/dbraw/zinc/05/24/20/1264052420.db2.gz HMULVBKEDJFQHA-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001321859921 1264084129 /nfs/dbraw/zinc/08/41/29/1264084129.db2.gz BBFUVXGBMIGTSO-HNNXBMFYSA-N 2 2 363.462 0.007 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001321922253 1264101168 /nfs/dbraw/zinc/10/11/68/1264101168.db2.gz SWGAGCXJEJZGGH-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001580400534 1278226600 /nfs/dbraw/zinc/22/66/00/1278226600.db2.gz CUHPVLANHDNEQD-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001323850392 1264528533 /nfs/dbraw/zinc/52/85/33/1264528533.db2.gz CHDCOGYMOPKLQU-VYDXJSESSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001323850392 1264528537 /nfs/dbraw/zinc/52/85/37/1264528537.db2.gz CHDCOGYMOPKLQU-VYDXJSESSA-N 2 2 373.501 0.800 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1Cc2ccccc2C1 ZINC001325623610 1264949717 /nfs/dbraw/zinc/94/97/17/1264949717.db2.gz JIDAYCAHFGFFQE-UHFFFAOYSA-N 2 2 372.513 0.754 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1Cc2ccccc2C1 ZINC001325623610 1264949730 /nfs/dbraw/zinc/94/97/30/1264949730.db2.gz JIDAYCAHFGFFQE-UHFFFAOYSA-N 2 2 372.513 0.754 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC001325653323 1264962068 /nfs/dbraw/zinc/96/20/68/1264962068.db2.gz XNYKMHCFVZUQTB-UHFFFAOYSA-N 2 2 361.490 0.821 20 0 FCADLP CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001513389103 1265085873 /nfs/dbraw/zinc/08/58/73/1265085873.db2.gz RZSFFLFGXRQIKG-INMHGKMJSA-N 2 2 365.478 0.201 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001513404998 1265105752 /nfs/dbraw/zinc/10/57/52/1265105752.db2.gz VDEVARYPZSWUPX-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001513404998 1265105755 /nfs/dbraw/zinc/10/57/55/1265105755.db2.gz VDEVARYPZSWUPX-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP [NH3+]CCN(CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC001326407742 1265108362 /nfs/dbraw/zinc/10/83/62/1265108362.db2.gz FJKMCNZWVGPLFA-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001326408809 1265109173 /nfs/dbraw/zinc/10/91/73/1265109173.db2.gz ORNPHHUPOFGSRQ-SFHVURJKSA-N 2 2 374.485 0.562 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001513951277 1265304440 /nfs/dbraw/zinc/30/44/40/1265304440.db2.gz WVTIJXWHYJZQLH-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001513951277 1265304452 /nfs/dbraw/zinc/30/44/52/1265304452.db2.gz WVTIJXWHYJZQLH-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](C)O1 ZINC001332691741 1266461276 /nfs/dbraw/zinc/46/12/76/1266461276.db2.gz WGDVQCLOQJUAHS-RCJHGTSTSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](C)O1 ZINC001332691741 1266461280 /nfs/dbraw/zinc/46/12/80/1266461280.db2.gz WGDVQCLOQJUAHS-RCJHGTSTSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001333425747 1266599170 /nfs/dbraw/zinc/59/91/70/1266599170.db2.gz PHVROVZKDMEVGN-AEFFLSMTSA-N 2 2 374.485 0.387 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575037 1266636376 /nfs/dbraw/zinc/63/63/76/1266636376.db2.gz RBDDXEWBODYEDN-XHSDSOJGSA-N 2 2 350.463 0.597 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575037 1266636382 /nfs/dbraw/zinc/63/63/82/1266636382.db2.gz RBDDXEWBODYEDN-XHSDSOJGSA-N 2 2 350.463 0.597 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC001333608872 1266646839 /nfs/dbraw/zinc/64/68/39/1266646839.db2.gz SOQONSYQTZQRSA-INIZCTEOSA-N 2 2 362.474 0.326 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001333720147 1266690024 /nfs/dbraw/zinc/69/00/24/1266690024.db2.gz TXWPOPXKBWITQD-OLZOCXBDSA-N 2 2 354.476 0.606 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001333720147 1266690035 /nfs/dbraw/zinc/69/00/35/1266690035.db2.gz TXWPOPXKBWITQD-OLZOCXBDSA-N 2 2 354.476 0.606 20 0 FCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334873127 1267212669 /nfs/dbraw/zinc/21/26/69/1267212669.db2.gz HKCBOQOPUKOEIP-HNNXBMFYSA-N 2 2 350.467 0.821 20 0 FCADLP C[C@H]1CCC[N@H+]1CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334873127 1267212673 /nfs/dbraw/zinc/21/26/73/1267212673.db2.gz HKCBOQOPUKOEIP-HNNXBMFYSA-N 2 2 350.467 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@H](NC(=O)NCC[NH+]2CCC2)CCC(=O)N1C1CC1 ZINC001548898203 1267767633 /nfs/dbraw/zinc/76/76/33/1267767633.db2.gz ULBYMVAORUIUFD-PBHICJAKSA-N 2 2 360.462 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@@H](NC(=O)NCC[NH+]2CCC2)CCC(=O)N1C1CC1 ZINC001548898204 1267768720 /nfs/dbraw/zinc/76/87/20/1267768720.db2.gz ULBYMVAORUIUFD-WMLDXEAASA-N 2 2 360.462 0.620 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153053 1267829967 /nfs/dbraw/zinc/82/99/67/1267829967.db2.gz JEOOGWBKXSYDDD-PBHICJAKSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC001549152720 1267830725 /nfs/dbraw/zinc/83/07/25/1267830725.db2.gz FLNQNAFSHFPFOX-XJKSGUPXSA-N 2 2 362.478 0.771 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549163030 1267843558 /nfs/dbraw/zinc/84/35/58/1267843558.db2.gz SRDNFGUGBQYNEN-ZQIUZPCESA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCC1CCC(C[NH3+])CC1 ZINC001549176852 1267854035 /nfs/dbraw/zinc/85/40/35/1267854035.db2.gz YSOGRKRPGDYIKL-QKRUXVEJSA-N 2 2 362.478 0.804 20 0 FCADLP Cc1cnn([C@@H]2[C@H](O)C[C@H]2[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC001549194814 1267856293 /nfs/dbraw/zinc/85/62/93/1267856293.db2.gz LFFKPVZRQKXRRL-QRVBRYPASA-N 2 2 363.506 0.252 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549348041 1267903997 /nfs/dbraw/zinc/90/39/97/1267903997.db2.gz HUUPNCQYUMZZCQ-ZACQAIPSSA-N 2 2 365.522 0.175 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549348041 1267904012 /nfs/dbraw/zinc/90/40/12/1267904012.db2.gz HUUPNCQYUMZZCQ-ZACQAIPSSA-N 2 2 365.522 0.175 20 0 FCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549365663 1267910048 /nfs/dbraw/zinc/91/00/48/1267910048.db2.gz QDOIKDCWRNNXSI-IXDOHACOSA-N 2 2 366.506 0.338 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549365663 1267910053 /nfs/dbraw/zinc/91/00/53/1267910053.db2.gz QDOIKDCWRNNXSI-IXDOHACOSA-N 2 2 366.506 0.338 20 0 FCADLP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549493378 1267927494 /nfs/dbraw/zinc/92/74/94/1267927494.db2.gz OBQDCHJSEZTPFX-SJORKVTESA-N 2 2 350.507 0.384 20 0 FCADLP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549739954 1267984835 /nfs/dbraw/zinc/98/48/35/1267984835.db2.gz IYNDRZSHJAOEJH-IRXDYDNUSA-N 2 2 374.489 0.429 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001549808317 1268001874 /nfs/dbraw/zinc/00/18/74/1268001874.db2.gz VNCFWEKRMGEMJH-KMFMINBZSA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001549808317 1268001887 /nfs/dbraw/zinc/00/18/87/1268001887.db2.gz VNCFWEKRMGEMJH-KMFMINBZSA-N 2 2 362.478 0.721 20 0 FCADLP CO[C@@H]1C[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)N(C(C)=O)C1 ZINC001549879997 1268012633 /nfs/dbraw/zinc/01/26/33/1268012633.db2.gz IISJYGSXXLYIHJ-HZPDHXFCSA-N 2 2 361.446 0.408 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001549998984 1268043414 /nfs/dbraw/zinc/04/34/14/1268043414.db2.gz BQFKUPDJTCKWLT-MSOLQXFVSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC001549998984 1268043426 /nfs/dbraw/zinc/04/34/26/1268043426.db2.gz BQFKUPDJTCKWLT-MSOLQXFVSA-N 2 2 350.507 0.478 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)C[C@@H]1C ZINC001338704157 1268052849 /nfs/dbraw/zinc/05/28/49/1268052849.db2.gz QYANGBIEAVRCCW-UONOGXRCSA-N 2 2 363.510 0.431 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)C[C@@H]1C ZINC001338704157 1268052862 /nfs/dbraw/zinc/05/28/62/1268052862.db2.gz QYANGBIEAVRCCW-UONOGXRCSA-N 2 2 363.510 0.431 20 0 FCADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550116794 1268079595 /nfs/dbraw/zinc/07/95/95/1268079595.db2.gz RVCDWJQJVUJLEP-IAGOWNOFSA-N 2 2 360.506 0.578 20 0 FCADLP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCc2cnn3c2C[NH2+]CC3)c1 ZINC001550286303 1268103517 /nfs/dbraw/zinc/10/35/17/1268103517.db2.gz YZSJGFFXVWJGJR-KRWDZBQOSA-N 2 2 370.457 0.851 20 0 FCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCc2cnn3c2C[NH2+]CC3)cc1 ZINC001550283909 1268104322 /nfs/dbraw/zinc/10/43/22/1268104322.db2.gz JROWUAISRRFBNZ-QGZVFWFLSA-N 2 2 370.457 0.851 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550854391 1268175516 /nfs/dbraw/zinc/17/55/16/1268175516.db2.gz SVRFFYXDJDTRKX-SJORKVTESA-N 2 2 351.491 0.450 20 0 FCADLP Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001339595283 1268277258 /nfs/dbraw/zinc/27/72/58/1268277258.db2.gz JZQZNDFXJCNZMA-OAHLLOKOSA-N 2 2 361.494 0.326 20 0 FCADLP Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001339595283 1268277265 /nfs/dbraw/zinc/27/72/65/1268277265.db2.gz JZQZNDFXJCNZMA-OAHLLOKOSA-N 2 2 361.494 0.326 20 0 FCADLP O=C(N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC001551586229 1268279366 /nfs/dbraw/zinc/27/93/66/1268279366.db2.gz BYNQXRRMKPNGIR-WMZOPIPTSA-N 2 2 374.489 0.876 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551596339 1268281723 /nfs/dbraw/zinc/28/17/23/1268281723.db2.gz SUTTVBMZZMFODY-VYDXJSESSA-N 2 2 374.489 0.566 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)nc[nH+]2)C1 ZINC001551942850 1268319837 /nfs/dbraw/zinc/31/98/37/1268319837.db2.gz YTCQIBSXJKNSCW-LSDHHAIUSA-N 2 2 374.489 0.645 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2=[NH+]O[C@@H](CO)C2)n1C ZINC001339791700 1268330979 /nfs/dbraw/zinc/33/09/79/1268330979.db2.gz ZNCWEFQCDRQCSO-CYBMUJFWSA-N 2 2 366.466 0.095 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cnn1C ZINC001552088712 1268367639 /nfs/dbraw/zinc/36/76/39/1268367639.db2.gz GXVHIVSMUABNLP-PVAVHDDUSA-N 2 2 354.458 0.822 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cnn1C ZINC001552089402 1268369547 /nfs/dbraw/zinc/36/95/47/1268369547.db2.gz MXVWOUFIEHVBRK-IAGOWNOFSA-N 2 2 369.473 0.479 20 0 FCADLP CCn1c(CCn2cc[nH+]c2C)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001340037861 1268412874 /nfs/dbraw/zinc/41/28/74/1268412874.db2.gz MOEKVKUYHAUQQC-INIZCTEOSA-N 2 2 359.478 0.957 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC001552352609 1268448116 /nfs/dbraw/zinc/44/81/16/1268448116.db2.gz WFFWRUHNXFVBAF-IBGZPJMESA-N 3 2 359.518 0.978 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC001552352609 1268448118 /nfs/dbraw/zinc/44/81/18/1268448118.db2.gz WFFWRUHNXFVBAF-IBGZPJMESA-N 3 2 359.518 0.978 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccnn1CC[NH+](C)C ZINC001552367670 1268450406 /nfs/dbraw/zinc/45/04/06/1268450406.db2.gz PEQFHWRSJMUYGW-WBMJQRKESA-N 2 2 374.449 0.320 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001580501948 1278412748 /nfs/dbraw/zinc/41/27/48/1278412748.db2.gz ONHVUBDGQWEYJD-JTQLQIEISA-N 2 2 372.408 0.874 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC001552838951 1268556650 /nfs/dbraw/zinc/55/66/50/1268556650.db2.gz WCQYRRVLGDLLHI-QMMMGPOBSA-N 2 2 364.347 0.867 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CN3CC[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924520 1268566457 /nfs/dbraw/zinc/56/64/57/1268566457.db2.gz CBHHVNBVBJYRLP-MOPGFXCFSA-N 2 2 364.534 0.931 20 0 FCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553103693 1268590324 /nfs/dbraw/zinc/59/03/24/1268590324.db2.gz TUEIBKWNFQOHPZ-MHORFTMASA-N 2 2 351.491 0.951 20 0 FCADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553103693 1268590328 /nfs/dbraw/zinc/59/03/28/1268590328.db2.gz TUEIBKWNFQOHPZ-MHORFTMASA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553114170 1268591858 /nfs/dbraw/zinc/59/18/58/1268591858.db2.gz LKVSUEKHDJMEKA-BRSBDYLESA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553114170 1268591865 /nfs/dbraw/zinc/59/18/65/1268591865.db2.gz LKVSUEKHDJMEKA-BRSBDYLESA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553165079 1268602161 /nfs/dbraw/zinc/60/21/61/1268602161.db2.gz OHHAAXFCYNIRHS-NEWSRXKRSA-N 2 2 374.485 0.999 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1)Nc1ccccc1 ZINC001553405660 1268646179 /nfs/dbraw/zinc/64/61/79/1268646179.db2.gz FUAQBULHGZCTHP-FGTMMUONSA-N 2 2 372.469 0.725 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H]1n1ccnn1 ZINC001553860312 1268728708 /nfs/dbraw/zinc/72/87/08/1268728708.db2.gz SVZZBFXDVBAKPP-HZPDHXFCSA-N 2 2 367.413 0.797 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nn1 ZINC001554035656 1268745251 /nfs/dbraw/zinc/74/52/51/1268745251.db2.gz HZBYRIZWQBJXOJ-WBMJQRKESA-N 2 2 355.402 0.803 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC1 ZINC001341151031 1268811829 /nfs/dbraw/zinc/81/18/29/1268811829.db2.gz IIXYWWLQVXKHAG-LSDHHAIUSA-N 2 2 359.474 0.743 20 0 FCADLP [NH3+][C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[C@H]1C(F)(F)F ZINC001342480225 1269487572 /nfs/dbraw/zinc/48/75/72/1269487572.db2.gz DOOKVUYPGZYOOS-MQYQWHSLSA-N 2 2 365.396 0.604 20 0 FCADLP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001342939494 1269691318 /nfs/dbraw/zinc/69/13/18/1269691318.db2.gz ILQNQHROVSQRIC-HUUCEWRRSA-N 2 2 363.462 0.026 20 0 FCADLP CO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001342939494 1269691322 /nfs/dbraw/zinc/69/13/22/1269691322.db2.gz ILQNQHROVSQRIC-HUUCEWRRSA-N 2 2 363.462 0.026 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001343005583 1269725515 /nfs/dbraw/zinc/72/55/15/1269725515.db2.gz QVIIZYZJQNSAOU-AWEZNQCLSA-N 2 2 360.524 0.089 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001343064721 1269753291 /nfs/dbraw/zinc/75/32/91/1269753291.db2.gz GXISQGXLOFYJBN-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001343064721 1269753295 /nfs/dbraw/zinc/75/32/95/1269753295.db2.gz GXISQGXLOFYJBN-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP C[C@@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[NH2+]1 ZINC001343559165 1269946613 /nfs/dbraw/zinc/94/66/13/1269946613.db2.gz FIJBDHZGDSEXBA-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@@H]1C[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]1 ZINC001343559165 1269946617 /nfs/dbraw/zinc/94/66/17/1269946617.db2.gz FIJBDHZGDSEXBA-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001343686722 1269983159 /nfs/dbraw/zinc/98/31/59/1269983159.db2.gz PAXPOAQSUZWKDZ-IRXDYDNUSA-N 2 2 368.441 0.923 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001572786842 1270142714 /nfs/dbraw/zinc/14/27/14/1270142714.db2.gz CBLKYSJOXDGYTN-GOEBONIOSA-N 2 2 359.474 0.662 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001573120407 1270613039 /nfs/dbraw/zinc/61/30/39/1270613039.db2.gz PFWCOQDHWQRXBL-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001573120407 1270613045 /nfs/dbraw/zinc/61/30/45/1270613045.db2.gz PFWCOQDHWQRXBL-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[NH2+][C@H](CCO)C1 ZINC001580634744 1278596126 /nfs/dbraw/zinc/59/61/26/1278596126.db2.gz DLWDNDVMQUFLGW-MRXNPFEDSA-N 2 2 354.495 0.387 20 0 FCADLP CC(C)[C@H](C(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001573977843 1270972856 /nfs/dbraw/zinc/97/28/56/1270972856.db2.gz QSMPBLZZPGVCHG-MRXNPFEDSA-N 2 2 357.462 0.753 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001574256392 1271128208 /nfs/dbraw/zinc/12/82/08/1271128208.db2.gz ZYNYDRNLJXEXBK-IRXDYDNUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001574256392 1271128211 /nfs/dbraw/zinc/12/82/11/1271128211.db2.gz ZYNYDRNLJXEXBK-IRXDYDNUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001574296381 1271172009 /nfs/dbraw/zinc/17/20/09/1271172009.db2.gz GWUCILOKVJOKIP-INIZCTEOSA-N 2 2 360.462 0.725 20 0 FCADLP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574548092 1271337169 /nfs/dbraw/zinc/33/71/69/1271337169.db2.gz WEVPVPRWSYOASH-RYUDHWBXSA-N 2 2 355.406 0.276 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001574781733 1271517231 /nfs/dbraw/zinc/51/72/31/1271517231.db2.gz NMEKVZUPWZKOOU-NSHDSACASA-N 2 2 374.474 0.841 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001574781733 1271517238 /nfs/dbraw/zinc/51/72/38/1271517238.db2.gz NMEKVZUPWZKOOU-NSHDSACASA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875055 1271628092 /nfs/dbraw/zinc/62/80/92/1271628092.db2.gz VKUOCTUXECGLGA-SWLSCSKDSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875055 1271628095 /nfs/dbraw/zinc/62/80/95/1271628095.db2.gz VKUOCTUXECGLGA-SWLSCSKDSA-N 2 2 358.450 0.332 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N2CC[C@H]([NH3+])C2)CC1 ZINC001574993241 1271688719 /nfs/dbraw/zinc/68/87/19/1271688719.db2.gz RUHBEIPPRDLNEY-INIZCTEOSA-N 2 2 361.494 0.247 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575390712 1272038775 /nfs/dbraw/zinc/03/87/75/1272038775.db2.gz CMEWWRPBVYISIH-NWDGAFQWSA-N 2 2 354.418 0.815 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421495 1272081045 /nfs/dbraw/zinc/08/10/45/1272081045.db2.gz VKQJKZXPBPLDST-SJLPKXTDSA-N 2 2 364.494 0.511 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421495 1272081054 /nfs/dbraw/zinc/08/10/54/1272081054.db2.gz VKQJKZXPBPLDST-SJLPKXTDSA-N 2 2 364.494 0.511 20 0 FCADLP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001575438870 1272108681 /nfs/dbraw/zinc/10/86/81/1272108681.db2.gz KUUSCRFVELVSQA-STQMWFEESA-N 2 2 367.417 0.229 20 0 FCADLP C[C@@H](C[N@H+](C)CCc1c[nH]nn1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569034 1272206807 /nfs/dbraw/zinc/20/68/07/1272206807.db2.gz MDTNAIDWOANDEE-ZDUSSCGKSA-N 2 2 354.418 0.678 20 0 FCADLP C[C@@H](C[N@@H+](C)CCc1c[nH]nn1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569034 1272206812 /nfs/dbraw/zinc/20/68/12/1272206812.db2.gz MDTNAIDWOANDEE-ZDUSSCGKSA-N 2 2 354.418 0.678 20 0 FCADLP C[C@@H](C[N@H+](C)CCc1cn[nH]n1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569034 1272206815 /nfs/dbraw/zinc/20/68/15/1272206815.db2.gz MDTNAIDWOANDEE-ZDUSSCGKSA-N 2 2 354.418 0.678 20 0 FCADLP C[C@@H](C[N@@H+](C)CCc1cn[nH]n1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001575569034 1272206817 /nfs/dbraw/zinc/20/68/17/1272206817.db2.gz MDTNAIDWOANDEE-ZDUSSCGKSA-N 2 2 354.418 0.678 20 0 FCADLP CC(C)Cc1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001575661746 1272277571 /nfs/dbraw/zinc/27/75/71/1272277571.db2.gz AQJQXSORLOIPSJ-HOTGVXAUSA-N 2 2 350.511 0.982 20 0 FCADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575702766 1272328137 /nfs/dbraw/zinc/32/81/37/1272328137.db2.gz MPSKXHZKDISGQH-AWEZNQCLSA-N 2 2 367.417 0.229 20 0 FCADLP CC1(NC(=O)C[NH+]2CCCC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001575814536 1272470920 /nfs/dbraw/zinc/47/09/20/1272470920.db2.gz NTVSSXDHIALNKO-UHFFFAOYSA-N 2 2 370.461 0.833 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576061996 1272808273 /nfs/dbraw/zinc/80/82/73/1272808273.db2.gz YATVMOJZMZIIBW-CZUORRHYSA-N 2 2 366.429 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256754 1273039187 /nfs/dbraw/zinc/03/91/87/1273039187.db2.gz SJCQRLAPJZCYLH-WBMJQRKESA-N 2 2 370.461 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256754 1273039199 /nfs/dbraw/zinc/03/91/99/1273039199.db2.gz SJCQRLAPJZCYLH-WBMJQRKESA-N 2 2 370.461 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576259852 1273048602 /nfs/dbraw/zinc/04/86/02/1273048602.db2.gz HBSUMOPDKVZKIF-ZWNOBZJWSA-N 2 2 372.458 0.831 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484794 1273330472 /nfs/dbraw/zinc/33/04/72/1273330472.db2.gz APLPYVOEYJBNBH-NVXWUHKLSA-N 2 2 350.467 0.122 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484794 1273330484 /nfs/dbraw/zinc/33/04/84/1273330484.db2.gz APLPYVOEYJBNBH-NVXWUHKLSA-N 2 2 350.467 0.122 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491251 1273344061 /nfs/dbraw/zinc/34/40/61/1273344061.db2.gz WECJTCVBMMUXML-DZGCQCFKSA-N 2 2 372.477 0.887 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499521 1273362457 /nfs/dbraw/zinc/36/24/57/1273362457.db2.gz RRDJYKYYTAJNFA-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499521 1273362466 /nfs/dbraw/zinc/36/24/66/1273362466.db2.gz RRDJYKYYTAJNFA-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576519788 1273404319 /nfs/dbraw/zinc/40/43/19/1273404319.db2.gz PFPWIECHIPEGLG-YESZJQIVSA-N 2 2 369.473 0.992 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576519788 1273404323 /nfs/dbraw/zinc/40/43/23/1273404323.db2.gz PFPWIECHIPEGLG-YESZJQIVSA-N 2 2 369.473 0.992 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558032 1273439102 /nfs/dbraw/zinc/43/91/02/1273439102.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558032 1273439103 /nfs/dbraw/zinc/43/91/03/1273439103.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCc2cn[nH]n2)C1 ZINC001576558032 1273439109 /nfs/dbraw/zinc/43/91/09/1273439109.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCc2cn[nH]n2)C1 ZINC001576558032 1273439113 /nfs/dbraw/zinc/43/91/13/1273439113.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558032 1273439116 /nfs/dbraw/zinc/43/91/16/1273439116.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558032 1273439118 /nfs/dbraw/zinc/43/91/18/1273439118.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCc2c[nH]nn2)C1 ZINC001576558032 1273439124 /nfs/dbraw/zinc/43/91/24/1273439124.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCc2c[nH]nn2)C1 ZINC001576558032 1273439126 /nfs/dbraw/zinc/43/91/26/1273439126.db2.gz VHJQVGYYXRSMED-IKGGRYGDSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558704 1273439235 /nfs/dbraw/zinc/43/92/35/1273439235.db2.gz ZLTACPYLKBUZHH-HOTGVXAUSA-N 2 2 350.467 0.386 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558704 1273439238 /nfs/dbraw/zinc/43/92/38/1273439238.db2.gz ZLTACPYLKBUZHH-HOTGVXAUSA-N 2 2 350.467 0.386 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1)CC(C)(C)C ZINC001576763129 1273639396 /nfs/dbraw/zinc/63/93/96/1273639396.db2.gz ZYMWUVACBVORSR-OAHLLOKOSA-N 2 2 364.494 0.285 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1)CC(C)(C)C ZINC001576763129 1273639405 /nfs/dbraw/zinc/63/94/05/1273639405.db2.gz ZYMWUVACBVORSR-OAHLLOKOSA-N 2 2 364.494 0.285 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576835425 1273764433 /nfs/dbraw/zinc/76/44/33/1273764433.db2.gz ARKATLQOFALBAM-OAHLLOKOSA-N 2 2 368.445 0.827 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576835655 1273766696 /nfs/dbraw/zinc/76/66/96/1273766696.db2.gz FOOMLTVTYLVVPL-ZDUSSCGKSA-N 2 2 354.418 0.817 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576836891 1273773074 /nfs/dbraw/zinc/77/30/74/1273773074.db2.gz WPENZABTPMWBRI-CQSZACIVSA-N 2 2 354.418 0.817 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC001576848385 1273796340 /nfs/dbraw/zinc/79/63/40/1273796340.db2.gz YXJFBINMMHLALN-CALCHBBNSA-N 2 2 356.474 0.964 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC001576848385 1273796344 /nfs/dbraw/zinc/79/63/44/1273796344.db2.gz YXJFBINMMHLALN-CALCHBBNSA-N 2 2 356.474 0.964 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[NH2+]CC1 ZINC001576861566 1273824284 /nfs/dbraw/zinc/82/42/84/1273824284.db2.gz QDJCWVFZODVHBY-MRXNPFEDSA-N 2 2 371.489 0.394 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[NH2+]CC1 ZINC001576861566 1273824292 /nfs/dbraw/zinc/82/42/92/1273824292.db2.gz QDJCWVFZODVHBY-MRXNPFEDSA-N 2 2 371.489 0.394 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2cn[nH]n2)CC3)C1 ZINC001576889432 1273880033 /nfs/dbraw/zinc/88/00/33/1273880033.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2cn[nH]n2)CC3)C1 ZINC001576889432 1273880038 /nfs/dbraw/zinc/88/00/38/1273880038.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCc2cn[nH]n2)CC3)C1 ZINC001576889432 1273880050 /nfs/dbraw/zinc/88/00/50/1273880050.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCc2cn[nH]n2)CC3)C1 ZINC001576889432 1273880057 /nfs/dbraw/zinc/88/00/57/1273880057.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2c[nH]nn2)CC3)C1 ZINC001576889432 1273880066 /nfs/dbraw/zinc/88/00/66/1273880066.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CCc2c[nH]nn2)CC3)C1 ZINC001576889432 1273880074 /nfs/dbraw/zinc/88/00/74/1273880074.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CCc2c[nH]nn2)CC3)C1 ZINC001576889432 1273880083 /nfs/dbraw/zinc/88/00/83/1273880083.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCc2c[nH]nn2)CC3)C1 ZINC001576889432 1273880092 /nfs/dbraw/zinc/88/00/92/1273880092.db2.gz LQDXDJIGMFZWAZ-LZLYRXPVSA-N 2 2 362.478 0.039 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001576898189 1273898906 /nfs/dbraw/zinc/89/89/06/1273898906.db2.gz NPEJSVAKOSULBJ-GDBMZVCRSA-N 2 2 353.511 0.521 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901754 1273905772 /nfs/dbraw/zinc/90/57/72/1273905772.db2.gz BDTZAEFXUJOWQI-WBVHZDCISA-N 2 2 350.467 0.122 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901754 1273905779 /nfs/dbraw/zinc/90/57/79/1273905779.db2.gz BDTZAEFXUJOWQI-WBVHZDCISA-N 2 2 350.467 0.122 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902944 1273910859 /nfs/dbraw/zinc/91/08/59/1273910859.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902944 1273910861 /nfs/dbraw/zinc/91/08/61/1273910861.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902944 1273910864 /nfs/dbraw/zinc/91/08/64/1273910864.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902944 1273910870 /nfs/dbraw/zinc/91/08/70/1273910870.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902944 1273910872 /nfs/dbraw/zinc/91/08/72/1273910872.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902944 1273910879 /nfs/dbraw/zinc/91/08/79/1273910879.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902944 1273910882 /nfs/dbraw/zinc/91/08/82/1273910882.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902944 1273910884 /nfs/dbraw/zinc/91/08/84/1273910884.db2.gz GSPVZWCNYLPMHY-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906183 1273917031 /nfs/dbraw/zinc/91/70/31/1273917031.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906183 1273917037 /nfs/dbraw/zinc/91/70/37/1273917037.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906183 1273917042 /nfs/dbraw/zinc/91/70/42/1273917042.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906183 1273917049 /nfs/dbraw/zinc/91/70/49/1273917049.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906183 1273917060 /nfs/dbraw/zinc/91/70/60/1273917060.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906183 1273917070 /nfs/dbraw/zinc/91/70/70/1273917070.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906183 1273917076 /nfs/dbraw/zinc/91/70/76/1273917076.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906183 1273917083 /nfs/dbraw/zinc/91/70/83/1273917083.db2.gz OJRIWEZPDCBGDZ-HIFRSBDPSA-N 2 2 370.448 0.905 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001577171431 1274221350 /nfs/dbraw/zinc/22/13/50/1274221350.db2.gz QSIBOXBEDHJHIX-CXAGYDPISA-N 2 2 373.461 0.681 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001577171431 1274221358 /nfs/dbraw/zinc/22/13/58/1274221358.db2.gz QSIBOXBEDHJHIX-CXAGYDPISA-N 2 2 373.461 0.681 20 0 FCADLP C[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001577171431 1274221371 /nfs/dbraw/zinc/22/13/71/1274221371.db2.gz QSIBOXBEDHJHIX-CXAGYDPISA-N 2 2 373.461 0.681 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001577171431 1274221380 /nfs/dbraw/zinc/22/13/80/1274221380.db2.gz QSIBOXBEDHJHIX-CXAGYDPISA-N 2 2 373.461 0.681 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577557184 1274498158 /nfs/dbraw/zinc/49/81/58/1274498158.db2.gz UDHFTAAOWNNKOW-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577557184 1274498161 /nfs/dbraw/zinc/49/81/61/1274498161.db2.gz UDHFTAAOWNNKOW-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577557184 1274498169 /nfs/dbraw/zinc/49/81/69/1274498169.db2.gz UDHFTAAOWNNKOW-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577557184 1274498172 /nfs/dbraw/zinc/49/81/72/1274498172.db2.gz UDHFTAAOWNNKOW-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577568247 1274527342 /nfs/dbraw/zinc/52/73/42/1274527342.db2.gz NMZVOQFABBROFM-VIKVFOODSA-N 2 2 356.434 0.154 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577568247 1274527345 /nfs/dbraw/zinc/52/73/45/1274527345.db2.gz NMZVOQFABBROFM-VIKVFOODSA-N 2 2 356.434 0.154 20 0 FCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577814490 1274920537 /nfs/dbraw/zinc/92/05/37/1274920537.db2.gz BCCROKKRLOAXSK-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577814490 1274920550 /nfs/dbraw/zinc/92/05/50/1274920550.db2.gz BCCROKKRLOAXSK-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577814491 1274920995 /nfs/dbraw/zinc/92/09/95/1274920995.db2.gz BCCROKKRLOAXSK-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577814491 1274921003 /nfs/dbraw/zinc/92/10/03/1274921003.db2.gz BCCROKKRLOAXSK-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP O=C(N[C@@H](C[NH2+]CCc1cn[nH]n1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577975019 1275201183 /nfs/dbraw/zinc/20/11/83/1275201183.db2.gz OHOBCXMATCNQII-KRWDZBQOSA-N 2 2 373.461 0.729 20 0 FCADLP O=C(N[C@@H](C[NH2+]CCc1c[nH]nn1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577975019 1275201190 /nfs/dbraw/zinc/20/11/90/1275201190.db2.gz OHOBCXMATCNQII-KRWDZBQOSA-N 2 2 373.461 0.729 20 0 FCADLP O=C(NCC=CC[NH2+]CCc1c[nH]nn1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578005616 1275268719 /nfs/dbraw/zinc/26/87/19/1275268719.db2.gz BWJPDKCYNWXEBL-OWOJBTEDSA-N 2 2 352.402 0.504 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001578136248 1275435302 /nfs/dbraw/zinc/43/53/02/1275435302.db2.gz ORXRVWMBAFZZSR-HNNXBMFYSA-N 2 2 358.450 0.428 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001578136248 1275435304 /nfs/dbraw/zinc/43/53/04/1275435304.db2.gz ORXRVWMBAFZZSR-HNNXBMFYSA-N 2 2 358.450 0.428 20 0 FCADLP CCc1nnc(N2C[C@H](C)[C@H]([NH3+])C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001578305114 1275639228 /nfs/dbraw/zinc/63/92/28/1275639228.db2.gz JOODMBZWGYMKIE-GOEBONIOSA-N 2 2 371.489 0.904 20 0 FCADLP C[NH+](C)Cc1nc(CNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)co1 ZINC001578420490 1275790167 /nfs/dbraw/zinc/79/01/67/1275790167.db2.gz MSLVCXIKRZQFIP-UHFFFAOYSA-N 2 2 355.439 0.548 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578457522 1275855281 /nfs/dbraw/zinc/85/52/81/1275855281.db2.gz IBUOFUVFPOFARU-LSDHHAIUSA-N 2 2 370.461 0.831 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CC1C[NH2+]C1 ZINC001578474488 1275886966 /nfs/dbraw/zinc/88/69/66/1275886966.db2.gz ZWUJYWFKNUJVNL-UHFFFAOYSA-N 2 2 371.489 0.252 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578533400 1275963620 /nfs/dbraw/zinc/96/36/20/1275963620.db2.gz ZUKUFBXPNYKRBO-ZIAGYGMSSA-N 2 2 355.483 0.589 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578533400 1275963630 /nfs/dbraw/zinc/96/36/30/1275963630.db2.gz ZUKUFBXPNYKRBO-ZIAGYGMSSA-N 2 2 355.483 0.589 20 0 FCADLP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578846703 1276368369 /nfs/dbraw/zinc/36/83/69/1276368369.db2.gz GXLOBXXRDDOBEJ-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578848260 1276369085 /nfs/dbraw/zinc/36/90/85/1276369085.db2.gz VLGZRMXJNLUONM-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP C[NH+](C)C1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)CCC1 ZINC001578963325 1276505987 /nfs/dbraw/zinc/50/59/87/1276505987.db2.gz AMTMOPJTHNRRTG-UHFFFAOYSA-N 2 2 370.461 0.619 20 0 FCADLP C[NH+](C)C1(C(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578966062 1276509769 /nfs/dbraw/zinc/50/97/69/1276509769.db2.gz DGPIOFUNBFXAMI-CYBMUJFWSA-N 2 2 370.461 0.689 20 0 FCADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579004846 1276573373 /nfs/dbraw/zinc/57/33/73/1276573373.db2.gz UXGSQEMXBPNYOI-CQSZACIVSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579004846 1276573386 /nfs/dbraw/zinc/57/33/86/1276573386.db2.gz UXGSQEMXBPNYOI-CQSZACIVSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)C1CCC1 ZINC001579006407 1276577675 /nfs/dbraw/zinc/57/76/75/1276577675.db2.gz ADILSYJHDOTIHA-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)C1CCC1 ZINC001579006407 1276577680 /nfs/dbraw/zinc/57/76/80/1276577680.db2.gz ADILSYJHDOTIHA-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+](CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006020 1276578620 /nfs/dbraw/zinc/57/86/20/1276578620.db2.gz KRAWQIIIVWZXQB-SFHVURJKSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+](CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006020 1276578626 /nfs/dbraw/zinc/57/86/26/1276578626.db2.gz KRAWQIIIVWZXQB-SFHVURJKSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+](CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579008307 1276582089 /nfs/dbraw/zinc/58/20/89/1276582089.db2.gz RKELTQBXPUDIDV-INIZCTEOSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+](CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579008307 1276582096 /nfs/dbraw/zinc/58/20/96/1276582096.db2.gz RKELTQBXPUDIDV-INIZCTEOSA-N 2 2 370.461 0.475 20 0 FCADLP CN(C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579085043 1276718542 /nfs/dbraw/zinc/71/85/42/1276718542.db2.gz GGJYQSBEZOSPSF-CQSZACIVSA-N 2 2 370.461 0.642 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001579101747 1276755746 /nfs/dbraw/zinc/75/57/46/1276755746.db2.gz LRLHORCICFMSKM-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001579101747 1276755755 /nfs/dbraw/zinc/75/57/55/1276755755.db2.gz LRLHORCICFMSKM-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001712475734 1287244094 /nfs/dbraw/zinc/24/40/94/1287244094.db2.gz DVFYUZOEKMXZPX-OAHLLOKOSA-N 2 2 352.483 0.076 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001712475734 1287244099 /nfs/dbraw/zinc/24/40/99/1287244099.db2.gz DVFYUZOEKMXZPX-OAHLLOKOSA-N 2 2 352.483 0.076 20 0 FCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579180611 1276948283 /nfs/dbraw/zinc/94/82/83/1276948283.db2.gz RKORHMHHHNDFSV-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579180611 1276948287 /nfs/dbraw/zinc/94/82/87/1276948287.db2.gz RKORHMHHHNDFSV-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001579284030 1277103958 /nfs/dbraw/zinc/10/39/58/1277103958.db2.gz HPIZJDOOWLXPHJ-MRXNPFEDSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001579284030 1277103960 /nfs/dbraw/zinc/10/39/60/1277103960.db2.gz HPIZJDOOWLXPHJ-MRXNPFEDSA-N 2 2 370.461 0.783 20 0 FCADLP COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH2+]CC1 ZINC001579319957 1277135660 /nfs/dbraw/zinc/13/56/60/1277135660.db2.gz YQTLUYCFYCBXNW-UHFFFAOYSA-N 2 2 354.418 0.540 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579330170 1277159851 /nfs/dbraw/zinc/15/98/51/1277159851.db2.gz YXIUAYMTMJLPTE-MRXNPFEDSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579330170 1277159853 /nfs/dbraw/zinc/15/98/53/1277159853.db2.gz YXIUAYMTMJLPTE-MRXNPFEDSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356516 1277222313 /nfs/dbraw/zinc/22/23/13/1277222313.db2.gz LIMUQCXDWUAYRN-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356516 1277222314 /nfs/dbraw/zinc/22/23/14/1277222314.db2.gz LIMUQCXDWUAYRN-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356516 1277222315 /nfs/dbraw/zinc/22/23/15/1277222315.db2.gz LIMUQCXDWUAYRN-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356516 1277222317 /nfs/dbraw/zinc/22/23/17/1277222317.db2.gz LIMUQCXDWUAYRN-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358762 1277228213 /nfs/dbraw/zinc/22/82/13/1277228213.db2.gz JLHPMKNNCZPAAY-GDBMZVCRSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358762 1277228216 /nfs/dbraw/zinc/22/82/16/1277228216.db2.gz JLHPMKNNCZPAAY-GDBMZVCRSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358762 1277228225 /nfs/dbraw/zinc/22/82/25/1277228225.db2.gz JLHPMKNNCZPAAY-GDBMZVCRSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358762 1277228231 /nfs/dbraw/zinc/22/82/31/1277228231.db2.gz JLHPMKNNCZPAAY-GDBMZVCRSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359351 1277232132 /nfs/dbraw/zinc/23/21/32/1277232132.db2.gz SWQNDLCFXLQGLY-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359351 1277232138 /nfs/dbraw/zinc/23/21/38/1277232138.db2.gz SWQNDLCFXLQGLY-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359351 1277232141 /nfs/dbraw/zinc/23/21/41/1277232141.db2.gz SWQNDLCFXLQGLY-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359351 1277232145 /nfs/dbraw/zinc/23/21/45/1277232145.db2.gz SWQNDLCFXLQGLY-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001579365645 1277243671 /nfs/dbraw/zinc/24/36/71/1277243671.db2.gz JJNOHCXPMAZMKC-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001579365645 1277243675 /nfs/dbraw/zinc/24/36/75/1277243675.db2.gz JJNOHCXPMAZMKC-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001579365647 1277245539 /nfs/dbraw/zinc/24/55/39/1277245539.db2.gz JJNOHCXPMAZMKC-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001579365647 1277245540 /nfs/dbraw/zinc/24/55/40/1277245540.db2.gz JJNOHCXPMAZMKC-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579371919 1277253516 /nfs/dbraw/zinc/25/35/16/1277253516.db2.gz BAZWJGNADOKZPL-LQKXBSAESA-N 2 2 368.445 0.297 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579371919 1277253517 /nfs/dbraw/zinc/25/35/17/1277253517.db2.gz BAZWJGNADOKZPL-LQKXBSAESA-N 2 2 368.445 0.297 20 0 FCADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381444 1277258797 /nfs/dbraw/zinc/25/87/97/1277258797.db2.gz HWUFACNGRZYOQK-OGWOLHLISA-N 2 2 367.457 0.856 20 0 FCADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381444 1277258804 /nfs/dbraw/zinc/25/88/04/1277258804.db2.gz HWUFACNGRZYOQK-OGWOLHLISA-N 2 2 367.457 0.856 20 0 FCADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381444 1277258809 /nfs/dbraw/zinc/25/88/09/1277258809.db2.gz HWUFACNGRZYOQK-OGWOLHLISA-N 2 2 367.457 0.856 20 0 FCADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381444 1277258814 /nfs/dbraw/zinc/25/88/14/1277258814.db2.gz HWUFACNGRZYOQK-OGWOLHLISA-N 2 2 367.457 0.856 20 0 FCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381313 1277259744 /nfs/dbraw/zinc/25/97/44/1277259744.db2.gz FOTGTFBCBIHHFG-GLJUWKHASA-N 2 2 358.446 0.490 20 0 FCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381313 1277259755 /nfs/dbraw/zinc/25/97/55/1277259755.db2.gz FOTGTFBCBIHHFG-GLJUWKHASA-N 2 2 358.446 0.490 20 0 FCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381313 1277259764 /nfs/dbraw/zinc/25/97/64/1277259764.db2.gz FOTGTFBCBIHHFG-GLJUWKHASA-N 2 2 358.446 0.490 20 0 FCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381313 1277259769 /nfs/dbraw/zinc/25/97/69/1277259769.db2.gz FOTGTFBCBIHHFG-GLJUWKHASA-N 2 2 358.446 0.490 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1cnccn1 ZINC001713546370 1287284893 /nfs/dbraw/zinc/28/48/93/1287284893.db2.gz JKGIYCNKIBSQBW-HUUCEWRRSA-N 2 2 362.478 0.584 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1cnccn1 ZINC001713546370 1287284899 /nfs/dbraw/zinc/28/48/99/1287284899.db2.gz JKGIYCNKIBSQBW-HUUCEWRRSA-N 2 2 362.478 0.584 20 0 FCADLP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1cnccn1 ZINC001713546370 1287284904 /nfs/dbraw/zinc/28/49/04/1287284904.db2.gz JKGIYCNKIBSQBW-HUUCEWRRSA-N 2 2 362.478 0.584 20 0 FCADLP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1cnccn1 ZINC001713546370 1287284909 /nfs/dbraw/zinc/28/49/09/1287284909.db2.gz JKGIYCNKIBSQBW-HUUCEWRRSA-N 2 2 362.478 0.584 20 0 FCADLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579867951 1277944509 /nfs/dbraw/zinc/94/45/09/1277944509.db2.gz GBDGREMCVLLSAU-IAGOWNOFSA-N 2 2 358.446 0.835 20 0 FCADLP COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1-c1nn[nH]n1 ZINC001580014795 1277991143 /nfs/dbraw/zinc/99/11/43/1277991143.db2.gz JUGMQYMQQGPKEZ-LLVKDONJSA-N 2 2 370.417 0.435 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1c[nH+]cn1C ZINC001580272733 1278065588 /nfs/dbraw/zinc/06/55/88/1278065588.db2.gz MIJWXSZDLYLICU-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP Cc1cc(N(C)CCNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949417 1279155545 /nfs/dbraw/zinc/15/55/45/1279155545.db2.gz YUHDBINSSKFHDI-UHFFFAOYSA-N 2 2 355.406 0.099 20 0 FCADLP Cc1cc(N[C@H](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987261 1279183400 /nfs/dbraw/zinc/18/34/00/1279183400.db2.gz HTMCLWXVYSGWEU-NEPJUHHUSA-N 2 2 369.433 0.653 20 0 FCADLP Cc1cc(N[C@H](C)[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989115 1279190354 /nfs/dbraw/zinc/19/03/54/1279190354.db2.gz MPRSXVVQQNASHZ-MNOVXSKESA-N 2 2 355.406 0.263 20 0 FCADLP Cc1cc(N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991144 1279193001 /nfs/dbraw/zinc/19/30/01/1279193001.db2.gz LGVXBHXFZUVJOY-JTQLQIEISA-N 2 2 355.406 0.265 20 0 FCADLP Cc1cc(N[C@H](C)CCNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991290 1279194763 /nfs/dbraw/zinc/19/47/63/1279194763.db2.gz MSMFAECBDUUYED-LLVKDONJSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1cc(N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581004294 1279222377 /nfs/dbraw/zinc/22/23/77/1279222377.db2.gz PYBCHBODUMNDHG-LBPRGKRZSA-N 2 2 367.417 0.361 20 0 FCADLP Cc1cc(NC[C@@H](C)CNC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009994 1279235364 /nfs/dbraw/zinc/23/53/64/1279235364.db2.gz BHEMDBZWWRKZKK-GFCCVEGCSA-N 2 2 369.433 0.443 20 0 FCADLP Cc1cc(NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022243 1279252775 /nfs/dbraw/zinc/25/27/75/1279252775.db2.gz XUJBXEFLXOCFAY-ZDUSSCGKSA-N 2 2 367.417 0.361 20 0 FCADLP Cc1cc(NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022818 1279253533 /nfs/dbraw/zinc/25/35/33/1279253533.db2.gz HQDGXPZAGWUJRX-CYBMUJFWSA-N 2 2 367.417 0.149 20 0 FCADLP Cc1cc(NCC[C@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024561 1279256159 /nfs/dbraw/zinc/25/61/59/1279256159.db2.gz CVVXGEJPOCBJCS-LBPRGKRZSA-N 2 2 369.433 0.586 20 0 FCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001603264523 1287343267 /nfs/dbraw/zinc/34/32/67/1287343267.db2.gz IVDQPTRRGTULCF-CJNGLKHVSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001603264523 1287343274 /nfs/dbraw/zinc/34/32/74/1287343274.db2.gz IVDQPTRRGTULCF-CJNGLKHVSA-N 2 2 372.477 0.721 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581337958 1279715036 /nfs/dbraw/zinc/71/50/36/1279715036.db2.gz PGJCOXAHHHBZHS-LBPRGKRZSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337723 1279715888 /nfs/dbraw/zinc/71/58/88/1279715888.db2.gz GRRRUGQCQFINAG-CYBMUJFWSA-N 2 2 367.417 0.292 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001581338263 1279718077 /nfs/dbraw/zinc/71/80/77/1279718077.db2.gz FWXOQRKHTPIFRB-LLVKDONJSA-N 2 2 372.408 0.805 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581338216 1279718154 /nfs/dbraw/zinc/71/81/54/1279718154.db2.gz WSECKHCTBHXMGW-UHFFFAOYSA-N 2 2 366.429 0.716 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338511 1279718329 /nfs/dbraw/zinc/71/83/29/1279718329.db2.gz NKBGDCIPODPHMK-LBPRGKRZSA-N 2 2 354.418 0.666 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001581338375 1279718835 /nfs/dbraw/zinc/71/88/35/1279718835.db2.gz YLFJLEXZEIPIBA-OCCSQVGLSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581338826 1279720109 /nfs/dbraw/zinc/72/01/09/1279720109.db2.gz VXXWQBPEMOPOMN-CYBMUJFWSA-N 2 2 367.417 0.552 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001716100754 1287372190 /nfs/dbraw/zinc/37/21/90/1287372190.db2.gz UYTZNDUPQSSDNL-DJIMGWMZSA-N 2 2 358.442 0.799 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563246 1280140154 /nfs/dbraw/zinc/14/01/54/1280140154.db2.gz HCMIELQOSPDDBK-RYUDHWBXSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581564178 1280143579 /nfs/dbraw/zinc/14/35/79/1280143579.db2.gz PPPWWSWDBOECHP-LLVKDONJSA-N 2 2 355.406 0.408 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581814227 1280556521 /nfs/dbraw/zinc/55/65/21/1280556521.db2.gz CDJNULVQCQEOMN-AWEZNQCLSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581815864 1280561431 /nfs/dbraw/zinc/56/14/31/1280561431.db2.gz LLNJOUTYVLOZHO-PLNGDYQASA-N 2 2 366.429 0.605 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001603590680 1287431341 /nfs/dbraw/zinc/43/13/41/1287431341.db2.gz JNBKNKZAVGYOHK-LBPRGKRZSA-N 2 2 361.431 0.515 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582090374 1281047470 /nfs/dbraw/zinc/04/74/70/1281047470.db2.gz QRSVBWQBIRVZGG-TXEJJXNPSA-N 2 2 353.390 0.030 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582097959 1281053617 /nfs/dbraw/zinc/05/36/17/1281053617.db2.gz WBIJAZSCDQSQII-UHFFFAOYSA-N 2 2 356.434 0.396 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582100836 1281058136 /nfs/dbraw/zinc/05/81/36/1281058136.db2.gz QTXVVGAXPMGMIW-GFCCVEGCSA-N 2 2 361.475 0.715 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582100836 1281058142 /nfs/dbraw/zinc/05/81/42/1281058142.db2.gz QTXVVGAXPMGMIW-GFCCVEGCSA-N 2 2 361.475 0.715 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582170270 1281138348 /nfs/dbraw/zinc/13/83/48/1281138348.db2.gz RQPPKAGTJRHACY-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582171533 1281139531 /nfs/dbraw/zinc/13/95/31/1281139531.db2.gz POKSCYQSGISCPZ-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582171533 1281139536 /nfs/dbraw/zinc/13/95/36/1281139536.db2.gz POKSCYQSGISCPZ-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582171546 1281140025 /nfs/dbraw/zinc/14/00/25/1281140025.db2.gz QAJOQCXJDACCBD-CTYIDZIISA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582171653 1281140805 /nfs/dbraw/zinc/14/08/05/1281140805.db2.gz UVNGSABAQGWWOL-JOCQHMNTSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001582183433 1281162919 /nfs/dbraw/zinc/16/29/19/1281162919.db2.gz UBUDMAOXOVUDAO-UHFFFAOYSA-N 2 2 366.429 0.961 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582183881 1281163647 /nfs/dbraw/zinc/16/36/47/1281163647.db2.gz MWLRLDXDHYWGRI-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582183881 1281163650 /nfs/dbraw/zinc/16/36/50/1281163650.db2.gz MWLRLDXDHYWGRI-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183927 1281163958 /nfs/dbraw/zinc/16/39/58/1281163958.db2.gz PAGQXAKQBCSLSR-ZDUSSCGKSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183927 1281163960 /nfs/dbraw/zinc/16/39/60/1281163960.db2.gz PAGQXAKQBCSLSR-ZDUSSCGKSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582194885 1281174913 /nfs/dbraw/zinc/17/49/13/1281174913.db2.gz ATLFXYCOIUAXDK-GFCCVEGCSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582197030 1281180620 /nfs/dbraw/zinc/18/06/20/1281180620.db2.gz ASQGIBIKWZNQDY-LBPRGKRZSA-N 2 2 353.390 0.243 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197395 1281182150 /nfs/dbraw/zinc/18/21/50/1281182150.db2.gz NOGIAHAOPQZUMJ-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197395 1281182153 /nfs/dbraw/zinc/18/21/53/1281182153.db2.gz NOGIAHAOPQZUMJ-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197779 1281182675 /nfs/dbraw/zinc/18/26/75/1281182675.db2.gz YMBZZPYPVBMAQU-OAHLLOKOSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197779 1281182678 /nfs/dbraw/zinc/18/26/78/1281182678.db2.gz YMBZZPYPVBMAQU-OAHLLOKOSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582198025 1281184856 /nfs/dbraw/zinc/18/48/56/1281184856.db2.gz JTEIVCLHDXQWJX-SHTZXODSSA-N 2 2 352.402 0.500 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001603922162 1287538291 /nfs/dbraw/zinc/53/82/91/1287538291.db2.gz XMJOBKRZPATGFM-XJKSGUPXSA-N 2 2 366.429 0.700 20 0 FCADLP CC[NH+](CC)CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001632005852 1282148182 /nfs/dbraw/zinc/14/81/82/1282148182.db2.gz SSJWZDSOTYBUBJ-CQSZACIVSA-N 2 2 356.492 0.618 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccccc1C(N)=O ZINC001632735290 1282202088 /nfs/dbraw/zinc/20/20/88/1282202088.db2.gz ZPCBHSVXLWGDLQ-UHFFFAOYSA-N 2 2 361.490 0.682 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNc1ccccc1C(N)=O ZINC001632735290 1282202089 /nfs/dbraw/zinc/20/20/89/1282202089.db2.gz ZPCBHSVXLWGDLQ-UHFFFAOYSA-N 2 2 361.490 0.682 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(-c2cccnc2)nn1 ZINC001632735076 1282202108 /nfs/dbraw/zinc/20/21/08/1282202108.db2.gz VVSUAFHKQRGIHR-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(-c2cccnc2)nn1 ZINC001632735076 1282202110 /nfs/dbraw/zinc/20/21/10/1282202110.db2.gz VVSUAFHKQRGIHR-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CCCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604206024 1287590208 /nfs/dbraw/zinc/59/02/08/1287590208.db2.gz HGQDRNHEJJUKJP-AWEZNQCLSA-N 2 2 372.477 0.936 20 0 FCADLP CCCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604206024 1287590215 /nfs/dbraw/zinc/59/02/15/1287590215.db2.gz HGQDRNHEJJUKJP-AWEZNQCLSA-N 2 2 372.477 0.936 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001589827053 1283063165 /nfs/dbraw/zinc/06/31/65/1283063165.db2.gz PGJQSRBVYBHMNC-NSHDSACASA-N 2 2 372.408 0.956 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589848666 1283082533 /nfs/dbraw/zinc/08/25/33/1283082533.db2.gz USRNZJFRRKHBTO-CYBMUJFWSA-N 2 2 358.450 0.289 20 0 FCADLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)Cn1cc[nH+]c1 ZINC001589869456 1283102867 /nfs/dbraw/zinc/10/28/67/1283102867.db2.gz GXBFVMXCLRISGK-UKRRQHHQSA-N 2 2 357.418 0.729 20 0 FCADLP C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001589963500 1283149165 /nfs/dbraw/zinc/14/91/65/1283149165.db2.gz XSAKEORAWIWGNY-BBRMVZONSA-N 2 2 372.477 0.419 20 0 FCADLP C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001589963500 1283149170 /nfs/dbraw/zinc/14/91/70/1283149170.db2.gz XSAKEORAWIWGNY-BBRMVZONSA-N 2 2 372.477 0.419 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590205213 1283325266 /nfs/dbraw/zinc/32/52/66/1283325266.db2.gz FIAXVHDFBIFLNN-GXTWGEPZSA-N 2 2 366.429 0.912 20 0 FCADLP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001590745451 1283798359 /nfs/dbraw/zinc/79/83/59/1283798359.db2.gz UNVBQFDRSDWHBV-UHFFFAOYSA-N 2 2 358.450 0.303 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001683305506 1283937857 /nfs/dbraw/zinc/93/78/57/1283937857.db2.gz SMEBUPAUEJTBSY-ZIAGYGMSSA-N 2 2 365.478 0.272 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001683305506 1283937863 /nfs/dbraw/zinc/93/78/63/1283937863.db2.gz SMEBUPAUEJTBSY-ZIAGYGMSSA-N 2 2 365.478 0.272 20 0 FCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC001591009534 1284069887 /nfs/dbraw/zinc/06/98/87/1284069887.db2.gz JDGUXUMPPYVKOI-FVQBIDKESA-N 2 2 360.462 0.925 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591179499 1284276719 /nfs/dbraw/zinc/27/67/19/1284276719.db2.gz RTWXLTQWABJOIW-UHFFFAOYSA-N 2 2 357.462 0.965 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591179499 1284276725 /nfs/dbraw/zinc/27/67/25/1284276725.db2.gz RTWXLTQWABJOIW-UHFFFAOYSA-N 2 2 357.462 0.965 20 0 FCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001591180650 1284279703 /nfs/dbraw/zinc/27/97/03/1284279703.db2.gz OGGXKONUCGTWPQ-SFHVURJKSA-N 2 2 368.445 0.423 20 0 FCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001591180650 1284279716 /nfs/dbraw/zinc/27/97/16/1284279716.db2.gz OGGXKONUCGTWPQ-SFHVURJKSA-N 2 2 368.445 0.423 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccncc2-c2nn[nH]n2)CC1 ZINC001591188533 1284304884 /nfs/dbraw/zinc/30/48/84/1284304884.db2.gz CGEYVHAAPYQXKS-INIZCTEOSA-N 2 2 356.478 0.864 20 0 FCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccncc2-c2nn[nH]n2)CC1 ZINC001591188533 1284304893 /nfs/dbraw/zinc/30/48/93/1284304893.db2.gz CGEYVHAAPYQXKS-INIZCTEOSA-N 2 2 356.478 0.864 20 0 FCADLP Cc1cc(NCCCNC(=O)CCc2[nH+]ccn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046584 1285088059 /nfs/dbraw/zinc/08/80/59/1285088059.db2.gz CKXUPHMKLFKACJ-UHFFFAOYSA-N 2 2 369.433 0.277 20 0 FCADLP Cc1cccc2c(NCC[N@@H+](C)CCOCCO)c(-c3nn[nH]n3)c[nH+]c12 ZINC001592242541 1285198898 /nfs/dbraw/zinc/19/88/98/1285198898.db2.gz CJRVOHKSLTWRLC-UHFFFAOYSA-N 2 2 371.445 0.498 20 0 FCADLP Cc1cccc2c(NCC[N@H+](C)CCOCCO)c(-c3nn[nH]n3)c[nH+]c12 ZINC001592242541 1285198905 /nfs/dbraw/zinc/19/89/05/1285198905.db2.gz CJRVOHKSLTWRLC-UHFFFAOYSA-N 2 2 371.445 0.498 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001592590541 1285521718 /nfs/dbraw/zinc/52/17/18/1285521718.db2.gz OTQYUYYECWWXAG-UHFFFAOYSA-N 2 2 372.408 0.578 20 0 FCADLP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCn2c[nH+]cc2C1 ZINC001593076423 1285974052 /nfs/dbraw/zinc/97/40/52/1285974052.db2.gz PARXCNHJMQPSEQ-LBPRGKRZSA-N 2 2 367.417 0.061 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504854 1286184661 /nfs/dbraw/zinc/18/46/61/1286184661.db2.gz NIKSJSPRBVJAHS-FVQBIDKESA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504854 1286184668 /nfs/dbraw/zinc/18/46/68/1286184668.db2.gz NIKSJSPRBVJAHS-FVQBIDKESA-N 2 2 358.446 0.823 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001704401027 1286242082 /nfs/dbraw/zinc/24/20/82/1286242082.db2.gz YTTNAAPOORPQHT-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001704401027 1286242092 /nfs/dbraw/zinc/24/20/92/1286242092.db2.gz YTTNAAPOORPQHT-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccncc2-c2nn[nH]n2)CC1 ZINC001609365410 1289118439 /nfs/dbraw/zinc/11/84/39/1289118439.db2.gz VVVFXDKDEZUTNY-UHFFFAOYSA-N 2 2 352.402 0.988 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)[NH+](C)C ZINC001719240645 1287930636 /nfs/dbraw/zinc/93/06/36/1287930636.db2.gz ZDCSOMYVZICQJD-RBSFLKMASA-N 2 2 365.478 0.035 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2Cc3ccc(-c4nn[nH]n4)cc3C2)CC1 ZINC001606437441 1288318436 /nfs/dbraw/zinc/31/84/36/1288318436.db2.gz PWZLLMLBGBCJIB-UHFFFAOYSA-N 2 2 356.434 0.315 20 0 FCADLP CC[C@@H](C(=O)NCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1)[NH+](C)C ZINC001721238248 1288319102 /nfs/dbraw/zinc/31/91/02/1288319102.db2.gz ZKXYJPZCGJEGAX-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606539597 1288372263 /nfs/dbraw/zinc/37/22/63/1288372263.db2.gz SVISGKVCYZIJAC-ZDUSSCGKSA-N 2 2 367.417 0.491 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001606619914 1288411777 /nfs/dbraw/zinc/41/17/77/1288411777.db2.gz CSULXDDNZMXUFA-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001606619976 1288412323 /nfs/dbraw/zinc/41/23/23/1288412323.db2.gz JMRLNRJMLHUYNV-LBPRGKRZSA-N 2 2 372.458 0.763 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731453155 1288557064 /nfs/dbraw/zinc/55/70/64/1288557064.db2.gz HJHDTQFYCGFHMW-RFBLXINOSA-N 2 2 361.490 0.921 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC2CC2)CC1 ZINC001732310615 1288580994 /nfs/dbraw/zinc/58/09/94/1288580994.db2.gz UWQZMWRDOWAAKW-DTZQCDIJSA-N 2 2 359.474 0.819 20 0 FCADLP CCc1noc(C)c1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732660192 1288592355 /nfs/dbraw/zinc/59/23/55/1288592355.db2.gz ZODUVXYLBKTACZ-BFHYXJOUSA-N 2 2 361.446 0.649 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001733452548 1288611297 /nfs/dbraw/zinc/61/12/97/1288611297.db2.gz IQYHMKNXTOXFQO-HUUCEWRRSA-N 2 2 361.490 0.830 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691978759 1289355917 /nfs/dbraw/zinc/35/59/17/1289355917.db2.gz TUAUSCIIMUCVRQ-DLBZAZTESA-N 2 2 360.462 0.697 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692278019 1289441153 /nfs/dbraw/zinc/44/11/53/1289441153.db2.gz URJLILJYKGSGOW-KFWWJZLASA-N 2 2 361.494 0.393 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692278019 1289441154 /nfs/dbraw/zinc/44/11/54/1289441154.db2.gz URJLILJYKGSGOW-KFWWJZLASA-N 2 2 361.494 0.393 20 0 FCADLP C[C@@H](C[NH2+]CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699409544 1289553442 /nfs/dbraw/zinc/55/34/42/1289553442.db2.gz PYAZUHMBKJKMMC-YNEHKIRRSA-N 2 2 360.466 0.592 20 0 FCADLP C[C@@H](C[NH2+]CCc1nnn(C(C)(C)C)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699409544 1289553450 /nfs/dbraw/zinc/55/34/50/1289553450.db2.gz PYAZUHMBKJKMMC-YNEHKIRRSA-N 2 2 360.466 0.592 20 0 FCADLP C[C@@H](C[N@H+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441071 1289554520 /nfs/dbraw/zinc/55/45/20/1289554520.db2.gz JGOYEFGCIDPNHL-YNEHKIRRSA-N 2 2 353.492 0.858 20 0 FCADLP C[C@@H](C[N@@H+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441071 1289554525 /nfs/dbraw/zinc/55/45/25/1289554525.db2.gz JGOYEFGCIDPNHL-YNEHKIRRSA-N 2 2 353.492 0.858 20 0 FCADLP C[C@@H](C[NH+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699441071 1289554529 /nfs/dbraw/zinc/55/45/29/1289554529.db2.gz JGOYEFGCIDPNHL-YNEHKIRRSA-N 2 2 353.492 0.858 20 0 FCADLP C[C@@H](C[NH+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699441071 1289554535 /nfs/dbraw/zinc/55/45/35/1289554535.db2.gz JGOYEFGCIDPNHL-YNEHKIRRSA-N 2 2 353.492 0.858 20 0 FCADLP CC[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[C@@H](C)C(N)=O ZINC001700341528 1289593733 /nfs/dbraw/zinc/59/37/33/1289593733.db2.gz OTICFCRKYIOZBO-NUEKZKHPSA-N 2 2 361.490 0.958 20 0 FCADLP CC[N@@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[C@@H](C)C(N)=O ZINC001700341528 1289593737 /nfs/dbraw/zinc/59/37/37/1289593737.db2.gz OTICFCRKYIOZBO-NUEKZKHPSA-N 2 2 361.490 0.958 20 0 FCADLP C[C@H]1CN(C(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC001617187313 1289820375 /nfs/dbraw/zinc/82/03/75/1289820375.db2.gz VTXODWUVURQBDW-FXAWDEMLSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@H]1CN(C(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC001617187313 1289820387 /nfs/dbraw/zinc/82/03/87/1289820387.db2.gz VTXODWUVURQBDW-FXAWDEMLSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@H]1CN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187313 1289820398 /nfs/dbraw/zinc/82/03/98/1289820398.db2.gz VTXODWUVURQBDW-FXAWDEMLSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@H]1CN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187313 1289820413 /nfs/dbraw/zinc/82/04/13/1289820413.db2.gz VTXODWUVURQBDW-FXAWDEMLSA-N 2 2 361.486 0.539 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1O ZINC001739450081 1290016761 /nfs/dbraw/zinc/01/67/61/1290016761.db2.gz UFYGMNCNHRLPQI-ARFHVFGLSA-N 2 2 365.478 0.254 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1O ZINC001739450081 1290016771 /nfs/dbraw/zinc/01/67/71/1290016771.db2.gz UFYGMNCNHRLPQI-ARFHVFGLSA-N 2 2 365.478 0.254 20 0 FCADLP Fc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1-n1cncn1 ZINC001620787648 1290021232 /nfs/dbraw/zinc/02/12/32/1290021232.db2.gz FWXPTLJROOJAQE-KRWDZBQOSA-N 2 2 374.464 0.903 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001753135813 1290622671 /nfs/dbraw/zinc/62/26/71/1290622671.db2.gz PLSOTXILXIOUMG-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001753135813 1290622684 /nfs/dbraw/zinc/62/26/84/1290622684.db2.gz PLSOTXILXIOUMG-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP O=C(NC[C@@]1(O)CC[N@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001754754206 1290633280 /nfs/dbraw/zinc/63/32/80/1290633280.db2.gz MGWLOVREHCRMEW-MDZRGWNJSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@@]1(O)CC[N@@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001754754206 1290633285 /nfs/dbraw/zinc/63/32/85/1290633285.db2.gz MGWLOVREHCRMEW-MDZRGWNJSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@@]1(O)CC[N@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001754754206 1290633291 /nfs/dbraw/zinc/63/32/91/1290633291.db2.gz MGWLOVREHCRMEW-MDZRGWNJSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@@]1(O)CC[N@@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001754754206 1290633299 /nfs/dbraw/zinc/63/32/99/1290633299.db2.gz MGWLOVREHCRMEW-MDZRGWNJSA-N 2 2 362.474 0.883 20 0 FCADLP CCn1ccc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001755177886 1290641364 /nfs/dbraw/zinc/64/13/64/1290641364.db2.gz GWTZPIKAQNKMRH-NVXWUHKLSA-N 2 2 363.506 0.686 20 0 FCADLP CCn1ccc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001755177886 1290641374 /nfs/dbraw/zinc/64/13/74/1290641374.db2.gz GWTZPIKAQNKMRH-NVXWUHKLSA-N 2 2 363.506 0.686 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]CCc2ccnn2C)C1 ZINC001755218439 1290642087 /nfs/dbraw/zinc/64/20/87/1290642087.db2.gz JCABVLAAWKLEMD-GMGZGELVSA-N 2 2 356.474 0.984 20 0 FCADLP C[C@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953835 1290998782 /nfs/dbraw/zinc/99/87/82/1290998782.db2.gz XLGOJOISIZVAIJ-MCIONIFRSA-N 2 2 360.466 0.874 20 0 FCADLP C[C@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953835 1290998788 /nfs/dbraw/zinc/99/87/88/1290998788.db2.gz XLGOJOISIZVAIJ-MCIONIFRSA-N 2 2 360.466 0.874 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001666125899 1291899772 /nfs/dbraw/zinc/89/97/72/1291899772.db2.gz HFXAFKJDJKVPLP-UHFFFAOYSA-N 2 2 368.503 0.692 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)[C@H]3CCCOC3)C2)CC1 ZINC001679304927 1292300306 /nfs/dbraw/zinc/30/03/06/1292300306.db2.gz XGCMYUYXFMFRED-YQQAZPJKSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)[C@H]3CCCOC3)C2)CC1 ZINC001679304927 1292300317 /nfs/dbraw/zinc/30/03/17/1292300317.db2.gz XGCMYUYXFMFRED-YQQAZPJKSA-N 2 2 354.495 0.242 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC1CC1 ZINC001688984528 1294559807 /nfs/dbraw/zinc/55/98/07/1294559807.db2.gz DTPVLFDQSLBSLG-ZJIFWQFVSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCC1CC1 ZINC001688984528 1294559820 /nfs/dbraw/zinc/55/98/20/1294559820.db2.gz DTPVLFDQSLBSLG-ZJIFWQFVSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001689022006 1294572031 /nfs/dbraw/zinc/57/20/31/1294572031.db2.gz PLXFLSDOILPDQA-QLFBSQMISA-N 2 2 356.492 0.438 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336238 1294757212 /nfs/dbraw/zinc/75/72/12/1294757212.db2.gz GGOJUFUPPJEBAD-UAGQMJEPSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336238 1294757220 /nfs/dbraw/zinc/75/72/20/1294757220.db2.gz GGOJUFUPPJEBAD-UAGQMJEPSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336237 1294757480 /nfs/dbraw/zinc/75/74/80/1294757480.db2.gz GGOJUFUPPJEBAD-OIISXLGYSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336237 1294757489 /nfs/dbraw/zinc/75/74/89/1294757489.db2.gz GGOJUFUPPJEBAD-OIISXLGYSA-N 2 2 361.490 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001689716136 1294828588 /nfs/dbraw/zinc/82/85/88/1294828588.db2.gz XGQMJIGEYYBHFQ-SPYBWZPUSA-N 2 2 359.474 0.727 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(C3CC3)C3CC3)C2)CC[N@@H+]1C ZINC001690091791 1294858263 /nfs/dbraw/zinc/85/82/63/1294858263.db2.gz HWJYORAZDULQCC-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(C3CC3)C3CC3)C2)CC[N@H+]1C ZINC001690091791 1294858282 /nfs/dbraw/zinc/85/82/82/1294858282.db2.gz HWJYORAZDULQCC-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC[NH+]1C ZINC001690091791 1294858294 /nfs/dbraw/zinc/85/82/94/1294858294.db2.gz HWJYORAZDULQCC-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC[NH+]1C ZINC001690091791 1294858306 /nfs/dbraw/zinc/85/83/06/1294858306.db2.gz HWJYORAZDULQCC-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001690623442 1294875859 /nfs/dbraw/zinc/87/58/59/1294875859.db2.gz NJYQPGUYQOOGJO-DAXOMENPSA-N 2 2 355.442 0.917 20 0 FCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929160 721884742 /nfs/dbraw/zinc/88/47/42/721884742.db2.gz AGYPVSHZQWLBHX-DLBZAZTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929160 721884744 /nfs/dbraw/zinc/88/47/44/721884744.db2.gz AGYPVSHZQWLBHX-DLBZAZTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929160 721884745 /nfs/dbraw/zinc/88/47/45/721884745.db2.gz AGYPVSHZQWLBHX-DLBZAZTESA-N 2 2 359.522 0.443 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077835 837614509 /nfs/dbraw/zinc/61/45/09/837614509.db2.gz NDDSYJKNAUOHCJ-FVEKBPEJSA-N 2 2 350.854 0.468 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077835 837614513 /nfs/dbraw/zinc/61/45/13/837614513.db2.gz NDDSYJKNAUOHCJ-FVEKBPEJSA-N 2 2 350.854 0.468 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076527 837614552 /nfs/dbraw/zinc/61/45/52/837614552.db2.gz RBRSHGRGSGQUKQ-LOHLBIGBSA-N 2 2 352.870 0.714 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076527 837614553 /nfs/dbraw/zinc/61/45/53/837614553.db2.gz RBRSHGRGSGQUKQ-LOHLBIGBSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076527 837614554 /nfs/dbraw/zinc/61/45/54/837614554.db2.gz RBRSHGRGSGQUKQ-LOHLBIGBSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076527 837614555 /nfs/dbraw/zinc/61/45/55/837614555.db2.gz RBRSHGRGSGQUKQ-LOHLBIGBSA-N 2 2 352.870 0.714 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070337763 837647586 /nfs/dbraw/zinc/64/75/86/837647586.db2.gz JMSMNZKEQHBVTI-KGLIPLIRSA-N 2 2 358.431 0.173 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001070354315 837648403 /nfs/dbraw/zinc/64/84/03/837648403.db2.gz BYHMJDFFGWVKMK-MJBXVCDLSA-N 2 2 350.467 0.387 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001070354315 837648408 /nfs/dbraw/zinc/64/84/08/837648408.db2.gz BYHMJDFFGWVKMK-MJBXVCDLSA-N 2 2 350.467 0.387 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001070354315 837648411 /nfs/dbraw/zinc/64/84/11/837648411.db2.gz BYHMJDFFGWVKMK-MJBXVCDLSA-N 2 2 350.467 0.387 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001070354315 837648414 /nfs/dbraw/zinc/64/84/14/837648414.db2.gz BYHMJDFFGWVKMK-MJBXVCDLSA-N 2 2 350.467 0.387 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071092015 837731655 /nfs/dbraw/zinc/73/16/55/837731655.db2.gz FWTMRDTZXDEDQP-XYPHTWIQSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071092015 837731664 /nfs/dbraw/zinc/73/16/64/837731664.db2.gz FWTMRDTZXDEDQP-XYPHTWIQSA-N 2 2 350.463 0.566 20 0 FCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709109 837786018 /nfs/dbraw/zinc/78/60/18/837786018.db2.gz RFXVQIWMIKOIFE-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709109 837786025 /nfs/dbraw/zinc/78/60/25/837786025.db2.gz RFXVQIWMIKOIFE-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncs3)C2)C1 ZINC001099402971 844043352 /nfs/dbraw/zinc/04/33/52/844043352.db2.gz GMMBERFJFOCFKC-ZQIUZPCESA-N 2 2 365.503 0.587 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncs3)C2)C1 ZINC001099402971 844043359 /nfs/dbraw/zinc/04/33/59/844043359.db2.gz GMMBERFJFOCFKC-ZQIUZPCESA-N 2 2 365.503 0.587 20 0 FCADLP C[C@H](O)CN1CC[N@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202477 836026006 /nfs/dbraw/zinc/02/60/06/836026006.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[N@@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202477 836026019 /nfs/dbraw/zinc/02/60/19/836026019.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202477 836026023 /nfs/dbraw/zinc/02/60/23/836026023.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@@H](C)C1 ZINC000249202477 836026034 /nfs/dbraw/zinc/02/60/34/836026034.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[N@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249202477 836026049 /nfs/dbraw/zinc/02/60/49/836026049.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[N@@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249202477 836026060 /nfs/dbraw/zinc/02/60/60/836026060.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249202477 836026073 /nfs/dbraw/zinc/02/60/73/836026073.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@H](C)C1 ZINC000249202477 836026076 /nfs/dbraw/zinc/02/60/76/836026076.db2.gz AHDBKXCERXAOMJ-RDGPPVDQSA-N 2 2 356.555 0.150 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000461758919 836074804 /nfs/dbraw/zinc/07/48/04/836074804.db2.gz NVYWKASXCOLHCK-ARFHVFGLSA-N 2 2 374.551 0.477 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000461758919 836074815 /nfs/dbraw/zinc/07/48/15/836074815.db2.gz NVYWKASXCOLHCK-ARFHVFGLSA-N 2 2 374.551 0.477 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC4(C3)OCCO4)CC2)CC1 ZINC000745789960 836152350 /nfs/dbraw/zinc/15/23/50/836152350.db2.gz SRIBYYJFJROCCZ-UHFFFAOYSA-N 2 2 352.479 0.703 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000747583768 836250682 /nfs/dbraw/zinc/25/06/82/836250682.db2.gz GRGZNZMSATZSBI-INIZCTEOSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000747583768 836250690 /nfs/dbraw/zinc/25/06/90/836250690.db2.gz GRGZNZMSATZSBI-INIZCTEOSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCO1 ZINC000748970890 836334964 /nfs/dbraw/zinc/33/49/64/836334964.db2.gz PLRKUFFLYSTISQ-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCO1 ZINC000748970890 836334970 /nfs/dbraw/zinc/33/49/70/836334970.db2.gz PLRKUFFLYSTISQ-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCO1 ZINC000748970893 836335717 /nfs/dbraw/zinc/33/57/17/836335717.db2.gz PLRKUFFLYSTISQ-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCO1 ZINC000748970893 836335726 /nfs/dbraw/zinc/33/57/26/836335726.db2.gz PLRKUFFLYSTISQ-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101351131 844154622 /nfs/dbraw/zinc/15/46/22/844154622.db2.gz UHIMRMDCBQIHCX-PBHICJAKSA-N 2 2 352.458 0.480 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101351131 844154627 /nfs/dbraw/zinc/15/46/27/844154627.db2.gz UHIMRMDCBQIHCX-PBHICJAKSA-N 2 2 352.458 0.480 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375303 844164864 /nfs/dbraw/zinc/16/48/64/844164864.db2.gz LXXKHBLZWLTLIJ-PBHICJAKSA-N 2 2 368.503 0.557 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375303 844164870 /nfs/dbraw/zinc/16/48/70/844164870.db2.gz LXXKHBLZWLTLIJ-PBHICJAKSA-N 2 2 368.503 0.557 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487973 844206699 /nfs/dbraw/zinc/20/66/99/844206699.db2.gz DXZOJCLGUJVPTR-WBVHZDCISA-N 2 2 368.503 0.488 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487973 844206706 /nfs/dbraw/zinc/20/67/06/844206706.db2.gz DXZOJCLGUJVPTR-WBVHZDCISA-N 2 2 368.503 0.488 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101488059 844206860 /nfs/dbraw/zinc/20/68/60/844206860.db2.gz JWMKOBWTMPGBNV-UXLLHSPISA-N 2 2 368.503 0.344 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101488059 844206870 /nfs/dbraw/zinc/20/68/70/844206870.db2.gz JWMKOBWTMPGBNV-UXLLHSPISA-N 2 2 368.503 0.344 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001101488234 844206956 /nfs/dbraw/zinc/20/69/56/844206956.db2.gz SQAGJJGRDWVXJW-ZBFHGGJFSA-N 2 2 354.476 0.098 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001101488234 844206965 /nfs/dbraw/zinc/20/69/65/844206965.db2.gz SQAGJJGRDWVXJW-ZBFHGGJFSA-N 2 2 354.476 0.098 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001074759931 837839070 /nfs/dbraw/zinc/83/90/70/837839070.db2.gz BXQZDJPSNRVXIL-RANZSIQMSA-N 2 2 351.491 0.855 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075744622 837892019 /nfs/dbraw/zinc/89/20/19/837892019.db2.gz ZQNXLUDFILHZAQ-QLFBSQMISA-N 2 2 366.487 0.310 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075744622 837892032 /nfs/dbraw/zinc/89/20/32/837892032.db2.gz ZQNXLUDFILHZAQ-QLFBSQMISA-N 2 2 366.487 0.310 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001076987221 838196386 /nfs/dbraw/zinc/19/63/86/838196386.db2.gz HGMGZQDKYPSAML-BZUAXINKSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC001076987221 838196390 /nfs/dbraw/zinc/19/63/90/838196390.db2.gz HGMGZQDKYPSAML-BZUAXINKSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001076987221 838196396 /nfs/dbraw/zinc/19/63/96/838196396.db2.gz HGMGZQDKYPSAML-BZUAXINKSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001076987221 838196400 /nfs/dbraw/zinc/19/64/00/838196400.db2.gz HGMGZQDKYPSAML-BZUAXINKSA-N 2 2 350.463 0.826 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077130503 838756231 /nfs/dbraw/zinc/75/62/31/838756231.db2.gz BCYSCFKUEJPEDE-RBSFLKMASA-N 2 2 361.471 0.621 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077130503 838756237 /nfs/dbraw/zinc/75/62/37/838756237.db2.gz BCYSCFKUEJPEDE-RBSFLKMASA-N 2 2 361.471 0.621 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)c[nH+]1 ZINC001077217678 838821227 /nfs/dbraw/zinc/82/12/27/838821227.db2.gz AXGDLMMKPWUTCB-ARFHVFGLSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)c[nH+]1 ZINC001077217678 838821240 /nfs/dbraw/zinc/82/12/40/838821240.db2.gz AXGDLMMKPWUTCB-ARFHVFGLSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)s1 ZINC001077565346 839039096 /nfs/dbraw/zinc/03/90/96/839039096.db2.gz DWWKTZNBKYPXLN-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)s1 ZINC001077565346 839039108 /nfs/dbraw/zinc/03/91/08/839039108.db2.gz DWWKTZNBKYPXLN-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)s1 ZINC001077565346 839039118 /nfs/dbraw/zinc/03/91/18/839039118.db2.gz DWWKTZNBKYPXLN-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)s1 ZINC001077565346 839039129 /nfs/dbraw/zinc/03/91/29/839039129.db2.gz DWWKTZNBKYPXLN-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001077582289 839053195 /nfs/dbraw/zinc/05/31/95/839053195.db2.gz DNJVZNMKGWIAIO-HUUCEWRRSA-N 2 2 364.471 0.815 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001077582289 839053204 /nfs/dbraw/zinc/05/32/04/839053204.db2.gz DNJVZNMKGWIAIO-HUUCEWRRSA-N 2 2 364.471 0.815 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cs1 ZINC001077675267 839101951 /nfs/dbraw/zinc/10/19/51/839101951.db2.gz HEZBQXCCGVYJDN-DAXOMENPSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cs1 ZINC001077675267 839101956 /nfs/dbraw/zinc/10/19/56/839101956.db2.gz HEZBQXCCGVYJDN-DAXOMENPSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cs1 ZINC001077675267 839101962 /nfs/dbraw/zinc/10/19/62/839101962.db2.gz HEZBQXCCGVYJDN-DAXOMENPSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cs1 ZINC001077675267 839101969 /nfs/dbraw/zinc/10/19/69/839101969.db2.gz HEZBQXCCGVYJDN-DAXOMENPSA-N 2 2 352.504 0.640 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC1 ZINC001077779573 839153374 /nfs/dbraw/zinc/15/33/74/839153374.db2.gz WENOSWXVJAJILE-HZPDHXFCSA-N 2 2 369.897 0.430 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC1 ZINC001077779573 839153382 /nfs/dbraw/zinc/15/33/82/839153382.db2.gz WENOSWXVJAJILE-HZPDHXFCSA-N 2 2 369.897 0.430 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1C)[NH+](C)C ZINC001102087926 844409015 /nfs/dbraw/zinc/40/90/15/844409015.db2.gz BVYBMFKALGPNGV-JHJVBQTASA-N 2 2 368.507 0.501 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1C)[NH+](C)C ZINC001102087926 844409018 /nfs/dbraw/zinc/40/90/18/844409018.db2.gz BVYBMFKALGPNGV-JHJVBQTASA-N 2 2 368.507 0.501 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888759 839208485 /nfs/dbraw/zinc/20/84/85/839208485.db2.gz UCRMRZITGJDVJY-IAGOWNOFSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888759 839208493 /nfs/dbraw/zinc/20/84/93/839208493.db2.gz UCRMRZITGJDVJY-IAGOWNOFSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892667 839210059 /nfs/dbraw/zinc/21/00/59/839210059.db2.gz CZOQKEXYIJMHPQ-HZPDHXFCSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892667 839210069 /nfs/dbraw/zinc/21/00/69/839210069.db2.gz CZOQKEXYIJMHPQ-HZPDHXFCSA-N 2 2 366.531 0.887 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1Cl ZINC001078174562 839379934 /nfs/dbraw/zinc/37/99/34/839379934.db2.gz PHBYHLCBSBOPPI-RRFJBIMHSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1Cl ZINC001078174562 839379948 /nfs/dbraw/zinc/37/99/48/839379948.db2.gz PHBYHLCBSBOPPI-RRFJBIMHSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1Cl ZINC001078174562 839379962 /nfs/dbraw/zinc/37/99/62/839379962.db2.gz PHBYHLCBSBOPPI-RRFJBIMHSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1Cl ZINC001078174562 839379975 /nfs/dbraw/zinc/37/99/75/839379975.db2.gz PHBYHLCBSBOPPI-RRFJBIMHSA-N 2 2 367.877 0.962 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001078228574 839417895 /nfs/dbraw/zinc/41/78/95/839417895.db2.gz WGJQASRJUZWXEB-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001078228574 839417907 /nfs/dbraw/zinc/41/79/07/839417907.db2.gz WGJQASRJUZWXEB-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001078228574 839417914 /nfs/dbraw/zinc/41/79/14/839417914.db2.gz WGJQASRJUZWXEB-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001078228574 839417917 /nfs/dbraw/zinc/41/79/17/839417917.db2.gz WGJQASRJUZWXEB-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789761 839591880 /nfs/dbraw/zinc/59/18/80/839591880.db2.gz WFVNLNQYYVKKAN-MBNYWOFBSA-N 2 2 352.504 0.994 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789761 839591886 /nfs/dbraw/zinc/59/18/86/839591886.db2.gz WFVNLNQYYVKKAN-MBNYWOFBSA-N 2 2 352.504 0.994 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848697 839608039 /nfs/dbraw/zinc/60/80/39/839608039.db2.gz HOAURSMJTBVDKT-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848697 839608044 /nfs/dbraw/zinc/60/80/44/839608044.db2.gz HOAURSMJTBVDKT-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848697 839608050 /nfs/dbraw/zinc/60/80/50/839608050.db2.gz HOAURSMJTBVDKT-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848697 839608054 /nfs/dbraw/zinc/60/80/54/839608054.db2.gz HOAURSMJTBVDKT-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164690 839675366 /nfs/dbraw/zinc/67/53/66/839675366.db2.gz NMHZCMJPZFBGJW-PGJZFTLKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164690 839675375 /nfs/dbraw/zinc/67/53/75/839675375.db2.gz NMHZCMJPZFBGJW-PGJZFTLKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@@H]1C[NH+](Cc2nccs2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164690 839675384 /nfs/dbraw/zinc/67/53/84/839675384.db2.gz NMHZCMJPZFBGJW-PGJZFTLKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@@H]1C[NH+](Cc2nccs2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164690 839675393 /nfs/dbraw/zinc/67/53/93/839675393.db2.gz NMHZCMJPZFBGJW-PGJZFTLKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940648 839838520 /nfs/dbraw/zinc/83/85/20/839838520.db2.gz BDAIVMCCQUWISB-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940648 839838527 /nfs/dbraw/zinc/83/85/27/839838527.db2.gz BDAIVMCCQUWISB-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)C)C[C@H]1C)[NH+](C)C ZINC001102377004 844480388 /nfs/dbraw/zinc/48/03/88/844480388.db2.gz IWOHXQFHYFDGRC-KFWWJZLASA-N 2 2 351.499 0.778 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)C)C[C@H]1C)[NH+](C)C ZINC001102377004 844480394 /nfs/dbraw/zinc/48/03/94/844480394.db2.gz IWOHXQFHYFDGRC-KFWWJZLASA-N 2 2 351.499 0.778 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419817 844491795 /nfs/dbraw/zinc/49/17/95/844491795.db2.gz WBLYARTWPYRRIM-IXDOHACOSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419817 844491797 /nfs/dbraw/zinc/49/17/97/844491797.db2.gz WBLYARTWPYRRIM-IXDOHACOSA-N 2 2 353.507 0.696 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081705868 840003999 /nfs/dbraw/zinc/00/39/99/840003999.db2.gz FALFKMKAZSZLRX-NUEKZKHPSA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001081705868 840004008 /nfs/dbraw/zinc/00/40/08/840004008.db2.gz FALFKMKAZSZLRX-NUEKZKHPSA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081951808 840120778 /nfs/dbraw/zinc/12/07/78/840120778.db2.gz FEUYKJWUMOCUBU-YSVLISHTSA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081951808 840120786 /nfs/dbraw/zinc/12/07/86/840120786.db2.gz FEUYKJWUMOCUBU-YSVLISHTSA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095735 840183421 /nfs/dbraw/zinc/18/34/21/840183421.db2.gz GHEYEKNOHGDOOV-HZPDHXFCSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095735 840183426 /nfs/dbraw/zinc/18/34/26/840183426.db2.gz GHEYEKNOHGDOOV-HZPDHXFCSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCC1 ZINC001082327936 840311292 /nfs/dbraw/zinc/31/12/92/840311292.db2.gz WWEBWSVKRHNFKG-BRWVUGGUSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCC1 ZINC001082327936 840311307 /nfs/dbraw/zinc/31/13/07/840311307.db2.gz WWEBWSVKRHNFKG-BRWVUGGUSA-N 2 2 350.463 0.593 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)C1 ZINC001082327272 840312353 /nfs/dbraw/zinc/31/23/53/840312353.db2.gz LLRVKOHCGWBJSU-OKEQZYBDSA-N 2 2 350.463 0.593 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)C1 ZINC001082327272 840312366 /nfs/dbraw/zinc/31/23/66/840312366.db2.gz LLRVKOHCGWBJSU-OKEQZYBDSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370966 840357309 /nfs/dbraw/zinc/35/73/09/840357309.db2.gz LXHNDFFOEMKBOO-HUUCEWRRSA-N 2 2 352.504 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370966 840357319 /nfs/dbraw/zinc/35/73/19/840357319.db2.gz LXHNDFFOEMKBOO-HUUCEWRRSA-N 2 2 352.504 0.905 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394915 840387852 /nfs/dbraw/zinc/38/78/52/840387852.db2.gz MKIKGHWDZASMSX-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394915 840387863 /nfs/dbraw/zinc/38/78/63/840387863.db2.gz MKIKGHWDZASMSX-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457785 840420263 /nfs/dbraw/zinc/42/02/63/840420263.db2.gz FPFGRBWDIOIOIQ-KCPJHIHWSA-N 2 2 369.897 0.649 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457785 840420273 /nfs/dbraw/zinc/42/02/73/840420273.db2.gz FPFGRBWDIOIOIQ-KCPJHIHWSA-N 2 2 369.897 0.649 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001082459215 840422215 /nfs/dbraw/zinc/42/22/15/840422215.db2.gz SGAJKCVYTXZRNN-XNRPHZJLSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001082459215 840422222 /nfs/dbraw/zinc/42/22/22/840422222.db2.gz SGAJKCVYTXZRNN-XNRPHZJLSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082518046 840447251 /nfs/dbraw/zinc/44/72/51/840447251.db2.gz WQIRUYIPONZYOC-IUODEOHRSA-N 2 2 363.491 0.547 20 0 FCADLP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082539956 840453953 /nfs/dbraw/zinc/45/39/53/840453953.db2.gz TWRQEPXEAHFMAJ-DGCLKSJQSA-N 2 2 363.491 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082592618 840480800 /nfs/dbraw/zinc/48/08/00/840480800.db2.gz OLWPSPUOMBVSJT-UKRRQHHQSA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513351 844544908 /nfs/dbraw/zinc/54/49/08/844544908.db2.gz GYVWYGPGOMWADU-QLFBSQMISA-N 2 2 368.503 0.081 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513351 844544909 /nfs/dbraw/zinc/54/49/09/844544909.db2.gz GYVWYGPGOMWADU-QLFBSQMISA-N 2 2 368.503 0.081 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102525815 844552958 /nfs/dbraw/zinc/55/29/58/844552958.db2.gz WJGMEEHLIKYUSI-ZIAGYGMSSA-N 2 2 351.451 0.639 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102525815 844552963 /nfs/dbraw/zinc/55/29/63/844552963.db2.gz WJGMEEHLIKYUSI-ZIAGYGMSSA-N 2 2 351.451 0.639 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102525815 844552970 /nfs/dbraw/zinc/55/29/70/844552970.db2.gz WJGMEEHLIKYUSI-ZIAGYGMSSA-N 2 2 351.451 0.639 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102525815 844552978 /nfs/dbraw/zinc/55/29/78/844552978.db2.gz WJGMEEHLIKYUSI-ZIAGYGMSSA-N 2 2 351.451 0.639 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102532365 844555487 /nfs/dbraw/zinc/55/54/87/844555487.db2.gz ISVXXITXXWQEFK-UMVBOHGHSA-N 2 2 370.519 0.625 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001102532365 844555490 /nfs/dbraw/zinc/55/54/90/844555490.db2.gz ISVXXITXXWQEFK-UMVBOHGHSA-N 2 2 370.519 0.625 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001082921935 840603308 /nfs/dbraw/zinc/60/33/08/840603308.db2.gz XKEVETOCJJLLGQ-MGPQQGTHSA-N 2 2 351.451 0.809 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923492 840603368 /nfs/dbraw/zinc/60/33/68/840603368.db2.gz LUARHJHUUDGHGP-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082923429 840603726 /nfs/dbraw/zinc/60/37/26/840603726.db2.gz JWLGTUNTCIXYFE-UMVBOHGHSA-N 2 2 350.467 0.018 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082958023 840620712 /nfs/dbraw/zinc/62/07/12/840620712.db2.gz VWHJIDOALOFHKT-RBSFLKMASA-N 2 2 354.476 0.144 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001083023719 840660450 /nfs/dbraw/zinc/66/04/50/840660450.db2.gz MWYMUSPUEARYRH-OWCLPIDISA-N 2 2 350.488 0.691 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCc3ccns3)C[C@@H]21 ZINC001083023719 840660454 /nfs/dbraw/zinc/66/04/54/840660454.db2.gz MWYMUSPUEARYRH-OWCLPIDISA-N 2 2 350.488 0.691 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001083023719 840660458 /nfs/dbraw/zinc/66/04/58/840660458.db2.gz MWYMUSPUEARYRH-OWCLPIDISA-N 2 2 350.488 0.691 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001083023719 840660461 /nfs/dbraw/zinc/66/04/61/840660461.db2.gz MWYMUSPUEARYRH-OWCLPIDISA-N 2 2 350.488 0.691 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023978 840660517 /nfs/dbraw/zinc/66/05/17/840660517.db2.gz WDCRBTHJSNGYOW-QLFBSQMISA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023978 840660519 /nfs/dbraw/zinc/66/05/19/840660519.db2.gz WDCRBTHJSNGYOW-QLFBSQMISA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023978 840660524 /nfs/dbraw/zinc/66/05/24/840660524.db2.gz WDCRBTHJSNGYOW-QLFBSQMISA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023978 840660527 /nfs/dbraw/zinc/66/05/27/840660527.db2.gz WDCRBTHJSNGYOW-QLFBSQMISA-N 2 2 350.488 0.957 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21)[NH+](C)C ZINC001083119627 840728133 /nfs/dbraw/zinc/72/81/33/840728133.db2.gz CPOZOJHBWDJVSN-OWCLPIDISA-N 2 2 352.504 0.937 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21)[NH+](C)C ZINC001083119627 840728140 /nfs/dbraw/zinc/72/81/40/840728140.db2.gz CPOZOJHBWDJVSN-OWCLPIDISA-N 2 2 352.504 0.937 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)sn1 ZINC001083249489 840833153 /nfs/dbraw/zinc/83/31/53/840833153.db2.gz HLTAVMIXSNDXQU-JKSUJKDBSA-N 2 2 362.499 0.959 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)sn1 ZINC001083249489 840833164 /nfs/dbraw/zinc/83/31/64/840833164.db2.gz HLTAVMIXSNDXQU-JKSUJKDBSA-N 2 2 362.499 0.959 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001083275044 840857487 /nfs/dbraw/zinc/85/74/87/840857487.db2.gz MLFXFBPLDLDEPN-ZNMIVQPWSA-N 2 2 359.417 0.418 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001083275044 840857496 /nfs/dbraw/zinc/85/74/96/840857496.db2.gz MLFXFBPLDLDEPN-ZNMIVQPWSA-N 2 2 359.417 0.418 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373168 840945991 /nfs/dbraw/zinc/94/59/91/840945991.db2.gz UVZWKAQNRQQNQI-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373168 840945995 /nfs/dbraw/zinc/94/59/95/840945995.db2.gz UVZWKAQNRQQNQI-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373168 840946005 /nfs/dbraw/zinc/94/60/05/840946005.db2.gz UVZWKAQNRQQNQI-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373168 840946015 /nfs/dbraw/zinc/94/60/15/840946015.db2.gz UVZWKAQNRQQNQI-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524257 841124011 /nfs/dbraw/zinc/12/40/11/841124011.db2.gz OHZKTMPNFNSDCG-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524257 841124024 /nfs/dbraw/zinc/12/40/24/841124024.db2.gz OHZKTMPNFNSDCG-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524257 841124036 /nfs/dbraw/zinc/12/40/36/841124036.db2.gz OHZKTMPNFNSDCG-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524257 841124042 /nfs/dbraw/zinc/12/40/42/841124042.db2.gz OHZKTMPNFNSDCG-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563264 841173059 /nfs/dbraw/zinc/17/30/59/841173059.db2.gz GUPFCLRAHAXMDR-XHSDSOJGSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563264 841173063 /nfs/dbraw/zinc/17/30/63/841173063.db2.gz GUPFCLRAHAXMDR-XHSDSOJGSA-N 2 2 350.463 0.515 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723535 841358947 /nfs/dbraw/zinc/35/89/47/841358947.db2.gz OKGKZISBUUVWET-AGIUHOORSA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723535 841358961 /nfs/dbraw/zinc/35/89/61/841358961.db2.gz OKGKZISBUUVWET-AGIUHOORSA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723535 841358970 /nfs/dbraw/zinc/35/89/70/841358970.db2.gz OKGKZISBUUVWET-AGIUHOORSA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723535 841358980 /nfs/dbraw/zinc/35/89/80/841358980.db2.gz OKGKZISBUUVWET-AGIUHOORSA-N 2 2 353.385 0.209 20 0 FCADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782668 841432630 /nfs/dbraw/zinc/43/26/30/841432630.db2.gz GGZSJSAYAOAXDL-WQVCFCJDSA-N 2 2 354.426 0.793 20 0 FCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782668 841432639 /nfs/dbraw/zinc/43/26/39/841432639.db2.gz GGZSJSAYAOAXDL-WQVCFCJDSA-N 2 2 354.426 0.793 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O ZINC001083789413 841440536 /nfs/dbraw/zinc/44/05/36/841440536.db2.gz AHHNFZOZZIAPQK-ANQUJSFKSA-N 2 2 360.483 0.989 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O ZINC001083789413 841440540 /nfs/dbraw/zinc/44/05/40/841440540.db2.gz AHHNFZOZZIAPQK-ANQUJSFKSA-N 2 2 360.483 0.989 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1O ZINC001083954121 841600879 /nfs/dbraw/zinc/60/08/79/841600879.db2.gz LYSZUTQATKFXGZ-CFVMTHIKSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1O ZINC001083954121 841600884 /nfs/dbraw/zinc/60/08/84/841600884.db2.gz LYSZUTQATKFXGZ-CFVMTHIKSA-N 2 2 356.417 0.949 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954934 841600947 /nfs/dbraw/zinc/60/09/47/841600947.db2.gz OUUKJJWGJCYHLW-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954934 841600952 /nfs/dbraw/zinc/60/09/52/841600952.db2.gz OUUKJJWGJCYHLW-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954934 841600957 /nfs/dbraw/zinc/60/09/57/841600957.db2.gz OUUKJJWGJCYHLW-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083954934 841600961 /nfs/dbraw/zinc/60/09/61/841600961.db2.gz OUUKJJWGJCYHLW-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083961893 841606312 /nfs/dbraw/zinc/60/63/12/841606312.db2.gz MDZKIANALPDTNY-ZBFHGGJFSA-N 2 2 361.471 0.622 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083961893 841606321 /nfs/dbraw/zinc/60/63/21/841606321.db2.gz MDZKIANALPDTNY-ZBFHGGJFSA-N 2 2 361.471 0.622 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001083997915 841627208 /nfs/dbraw/zinc/62/72/08/841627208.db2.gz PRALXCZKBGQQKR-IXDOHACOSA-N 2 2 350.463 0.627 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)C1CCCC1 ZINC001083997915 841627217 /nfs/dbraw/zinc/62/72/17/841627217.db2.gz PRALXCZKBGQQKR-IXDOHACOSA-N 2 2 350.463 0.627 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001084057688 841671325 /nfs/dbraw/zinc/67/13/25/841671325.db2.gz XPCYOIXBJBOUBK-SJORKVTESA-N 2 2 353.413 0.764 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001084057688 841671332 /nfs/dbraw/zinc/67/13/32/841671332.db2.gz XPCYOIXBJBOUBK-SJORKVTESA-N 2 2 353.413 0.764 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079009 841689532 /nfs/dbraw/zinc/68/95/32/841689532.db2.gz QZXYFQASCBIIAG-OWCLPIDISA-N 2 2 353.488 0.439 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079009 841689541 /nfs/dbraw/zinc/68/95/41/841689541.db2.gz QZXYFQASCBIIAG-OWCLPIDISA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079009 841689551 /nfs/dbraw/zinc/68/95/51/841689551.db2.gz QZXYFQASCBIIAG-OWCLPIDISA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079009 841689556 /nfs/dbraw/zinc/68/95/56/841689556.db2.gz QZXYFQASCBIIAG-OWCLPIDISA-N 2 2 353.488 0.439 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662879 841876184 /nfs/dbraw/zinc/87/61/84/841876184.db2.gz BBMSCJRTDPNTQG-LBTNJELSSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662879 841876197 /nfs/dbraw/zinc/87/61/97/841876197.db2.gz BBMSCJRTDPNTQG-LBTNJELSSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662879 841876209 /nfs/dbraw/zinc/87/62/09/841876209.db2.gz BBMSCJRTDPNTQG-LBTNJELSSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662879 841876218 /nfs/dbraw/zinc/87/62/18/841876218.db2.gz BBMSCJRTDPNTQG-LBTNJELSSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662878 841877213 /nfs/dbraw/zinc/87/72/13/841877213.db2.gz BBMSCJRTDPNTQG-HBUWYVDXSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662878 841877227 /nfs/dbraw/zinc/87/72/27/841877227.db2.gz BBMSCJRTDPNTQG-HBUWYVDXSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662878 841877243 /nfs/dbraw/zinc/87/72/43/841877243.db2.gz BBMSCJRTDPNTQG-HBUWYVDXSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662878 841877258 /nfs/dbraw/zinc/87/72/58/841877258.db2.gz BBMSCJRTDPNTQG-HBUWYVDXSA-N 2 2 354.470 0.478 20 0 FCADLP C[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084700920 841889115 /nfs/dbraw/zinc/88/91/15/841889115.db2.gz GTGBOLVTMJWWDN-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084700920 841889127 /nfs/dbraw/zinc/88/91/27/841889127.db2.gz GTGBOLVTMJWWDN-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831609 841925102 /nfs/dbraw/zinc/92/51/02/841925102.db2.gz SELBXUMXSLZDSV-BRWVUGGUSA-N 2 2 369.531 0.440 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831609 841925114 /nfs/dbraw/zinc/92/51/14/841925114.db2.gz SELBXUMXSLZDSV-BRWVUGGUSA-N 2 2 369.531 0.440 20 0 FCADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084998302 841984366 /nfs/dbraw/zinc/98/43/66/841984366.db2.gz FRLCXWVEHQXZCG-SQNIBIBYSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084998302 841984372 /nfs/dbraw/zinc/98/43/72/841984372.db2.gz FRLCXWVEHQXZCG-SQNIBIBYSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084998302 841984376 /nfs/dbraw/zinc/98/43/76/841984376.db2.gz FRLCXWVEHQXZCG-SQNIBIBYSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084998302 841984381 /nfs/dbraw/zinc/98/43/81/841984381.db2.gz FRLCXWVEHQXZCG-SQNIBIBYSA-N 2 2 351.491 0.402 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085044032 841996859 /nfs/dbraw/zinc/99/68/59/841996859.db2.gz VUXXGEXUWAZRIJ-FMKPAKJESA-N 2 2 366.487 0.310 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085044032 841996868 /nfs/dbraw/zinc/99/68/68/841996868.db2.gz VUXXGEXUWAZRIJ-FMKPAKJESA-N 2 2 366.487 0.310 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC001085159354 842029426 /nfs/dbraw/zinc/02/94/26/842029426.db2.gz QMBJXTGDCOPHLV-MGPQQGTHSA-N 2 2 353.492 0.694 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC001085159354 842029437 /nfs/dbraw/zinc/02/94/37/842029437.db2.gz QMBJXTGDCOPHLV-MGPQQGTHSA-N 2 2 353.492 0.694 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085345967 842080231 /nfs/dbraw/zinc/08/02/31/842080231.db2.gz ZJCUPMKLGZVXBB-HZPDHXFCSA-N 2 2 368.503 0.794 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001085374676 842089818 /nfs/dbraw/zinc/08/98/18/842089818.db2.gz CTNLFXKDRRYHBP-RRFJBIMHSA-N 2 2 368.503 0.794 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737267 842112986 /nfs/dbraw/zinc/11/29/86/842112986.db2.gz JFQMKAKIAJGRQP-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1CC1CC1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737267 842112993 /nfs/dbraw/zinc/11/29/93/842112993.db2.gz JFQMKAKIAJGRQP-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086120224 842122736 /nfs/dbraw/zinc/12/27/36/842122736.db2.gz QGYCBZRGNPUGHU-XLFUENPSSA-N 2 2 353.492 0.803 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086120224 842122737 /nfs/dbraw/zinc/12/27/37/842122737.db2.gz QGYCBZRGNPUGHU-XLFUENPSSA-N 2 2 353.492 0.803 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086120219 842122875 /nfs/dbraw/zinc/12/28/75/842122875.db2.gz PZHXHUQLKMDQBR-RUZUBIRVSA-N 2 2 353.492 0.550 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086120219 842122881 /nfs/dbraw/zinc/12/28/81/842122881.db2.gz PZHXHUQLKMDQBR-RUZUBIRVSA-N 2 2 353.492 0.550 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392484 842129728 /nfs/dbraw/zinc/12/97/28/842129728.db2.gz QCEIKTSLRGNRPG-KJWHEZOQSA-N 2 2 366.487 0.432 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392484 842129735 /nfs/dbraw/zinc/12/97/35/842129735.db2.gz QCEIKTSLRGNRPG-KJWHEZOQSA-N 2 2 366.487 0.432 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001086436857 842132373 /nfs/dbraw/zinc/13/23/73/842132373.db2.gz YZXAMEZMSQLSMS-TVFCKZIOSA-N 2 2 351.491 0.761 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665295 842145431 /nfs/dbraw/zinc/14/54/31/842145431.db2.gz ABJQHJSWPPWERR-MJBXVCDLSA-N 2 2 351.451 0.337 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665295 842145441 /nfs/dbraw/zinc/14/54/41/842145441.db2.gz ABJQHJSWPPWERR-MJBXVCDLSA-N 2 2 351.451 0.337 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087088206 842280468 /nfs/dbraw/zinc/28/04/68/842280468.db2.gz NYNSOFOJALXIOK-TZMCWYRMSA-N 2 2 364.475 0.765 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)c1csnn1 ZINC001087103406 842290817 /nfs/dbraw/zinc/29/08/17/842290817.db2.gz DRBUJYYGVPBGLU-GZBFAFLISA-N 2 2 364.475 0.949 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001087103693 842292828 /nfs/dbraw/zinc/29/28/28/842292828.db2.gz UUKAXHSLTJYVEJ-GVDBMIGSSA-N 2 2 350.463 0.763 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001087214947 842319686 /nfs/dbraw/zinc/31/96/86/842319686.db2.gz XFBRFQBXXNAQBE-RDBSUJKOSA-N 2 2 352.483 0.165 20 0 FCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001087251323 842326644 /nfs/dbraw/zinc/32/66/44/842326644.db2.gz OPKMJOGGXNWACJ-PMPSAXMXSA-N 2 2 368.503 0.535 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088201976 842557571 /nfs/dbraw/zinc/55/75/71/842557571.db2.gz DROSRECZWRAAPM-CABCVRRESA-N 2 2 354.476 0.016 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCS(C)(=O)=O)CC[C@@H]2C1 ZINC001088201976 842557587 /nfs/dbraw/zinc/55/75/87/842557587.db2.gz DROSRECZWRAAPM-CABCVRRESA-N 2 2 354.476 0.016 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505450 842591359 /nfs/dbraw/zinc/59/13/59/842591359.db2.gz JBOWRCQXHWZFJH-DQYPLSBCSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505450 842591370 /nfs/dbraw/zinc/59/13/70/842591370.db2.gz JBOWRCQXHWZFJH-DQYPLSBCSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505450 842591375 /nfs/dbraw/zinc/59/13/75/842591375.db2.gz JBOWRCQXHWZFJH-DQYPLSBCSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088505450 842591379 /nfs/dbraw/zinc/59/13/79/842591379.db2.gz JBOWRCQXHWZFJH-DQYPLSBCSA-N 2 2 350.463 0.955 20 0 FCADLP CN(C)c1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)s1 ZINC001276141049 861328844 /nfs/dbraw/zinc/32/88/44/861328844.db2.gz GPALEZZDSGNYIO-UHFFFAOYSA-N 2 2 352.504 0.789 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001088750414 842665741 /nfs/dbraw/zinc/66/57/41/842665741.db2.gz LSWNCKTYDVJIHO-PMPSAXMXSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001088750414 842665751 /nfs/dbraw/zinc/66/57/51/842665751.db2.gz LSWNCKTYDVJIHO-PMPSAXMXSA-N 2 2 368.503 0.595 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522663 843227015 /nfs/dbraw/zinc/22/70/15/843227015.db2.gz STIMKCNQKDVTAP-UNEWFSDZSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522663 843227027 /nfs/dbraw/zinc/22/70/27/843227027.db2.gz STIMKCNQKDVTAP-UNEWFSDZSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092522663 843227030 /nfs/dbraw/zinc/22/70/30/843227030.db2.gz STIMKCNQKDVTAP-UNEWFSDZSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092522663 843227042 /nfs/dbraw/zinc/22/70/42/843227042.db2.gz STIMKCNQKDVTAP-UNEWFSDZSA-N 2 2 350.438 0.735 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523893 843229848 /nfs/dbraw/zinc/22/98/48/843229848.db2.gz NBLRTWLNOZKCKU-SRCQZFHVSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523893 843229857 /nfs/dbraw/zinc/22/98/57/843229857.db2.gz NBLRTWLNOZKCKU-SRCQZFHVSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523893 843229868 /nfs/dbraw/zinc/22/98/68/843229868.db2.gz NBLRTWLNOZKCKU-SRCQZFHVSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523893 843229880 /nfs/dbraw/zinc/22/98/80/843229880.db2.gz NBLRTWLNOZKCKU-SRCQZFHVSA-N 2 2 350.463 0.806 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728050 843289049 /nfs/dbraw/zinc/28/90/49/843289049.db2.gz DDJDFAFSKYHGQM-TZMCWYRMSA-N 2 2 364.471 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728050 843289058 /nfs/dbraw/zinc/28/90/58/843289058.db2.gz DDJDFAFSKYHGQM-TZMCWYRMSA-N 2 2 364.471 0.905 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911285 843337867 /nfs/dbraw/zinc/33/78/67/843337867.db2.gz PPIMFFNUENBGRL-RBSFLKMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911285 843337878 /nfs/dbraw/zinc/33/78/78/843337878.db2.gz PPIMFFNUENBGRL-RBSFLKMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911285 843337886 /nfs/dbraw/zinc/33/78/86/843337886.db2.gz PPIMFFNUENBGRL-RBSFLKMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911285 843337895 /nfs/dbraw/zinc/33/78/95/843337895.db2.gz PPIMFFNUENBGRL-RBSFLKMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910409 843339052 /nfs/dbraw/zinc/33/90/52/843339052.db2.gz CZEIPKWIBITPNM-INMHGKMJSA-N 2 2 350.463 0.968 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910409 843339059 /nfs/dbraw/zinc/33/90/59/843339059.db2.gz CZEIPKWIBITPNM-INMHGKMJSA-N 2 2 350.463 0.968 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910409 843339071 /nfs/dbraw/zinc/33/90/71/843339071.db2.gz CZEIPKWIBITPNM-INMHGKMJSA-N 2 2 350.463 0.968 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910409 843339081 /nfs/dbraw/zinc/33/90/81/843339081.db2.gz CZEIPKWIBITPNM-INMHGKMJSA-N 2 2 350.463 0.968 20 0 FCADLP COCOCCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317816 861412374 /nfs/dbraw/zinc/41/23/74/861412374.db2.gz MNKCFSLKCDBBDN-KRWDZBQOSA-N 2 2 352.435 0.234 20 0 FCADLP COCOCCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317816 861412382 /nfs/dbraw/zinc/41/23/82/861412382.db2.gz MNKCFSLKCDBBDN-KRWDZBQOSA-N 2 2 352.435 0.234 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001093472935 843441247 /nfs/dbraw/zinc/44/12/47/843441247.db2.gz LUUWIKMFNMCKJD-JOCBIADPSA-N 2 2 350.463 0.219 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093742538 843462869 /nfs/dbraw/zinc/46/28/69/843462869.db2.gz AVSLBZJDNGHPPM-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001094074530 843508271 /nfs/dbraw/zinc/50/82/71/843508271.db2.gz GNLLNVYONPJCFW-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094074753 843508375 /nfs/dbraw/zinc/50/83/75/843508375.db2.gz KJMLYWXASFYAKW-MGPQQGTHSA-N 2 2 354.476 0.071 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001094234135 843537673 /nfs/dbraw/zinc/53/76/73/843537673.db2.gz NVXAPMWWVDCJJW-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001094234135 843537685 /nfs/dbraw/zinc/53/76/85/843537685.db2.gz NVXAPMWWVDCJJW-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP COCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276369578 861433306 /nfs/dbraw/zinc/43/33/06/861433306.db2.gz WFXNLLIZLQLPCZ-GOSISDBHSA-N 2 2 350.463 0.861 20 0 FCADLP COCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276369578 861433315 /nfs/dbraw/zinc/43/33/15/861433315.db2.gz WFXNLLIZLQLPCZ-GOSISDBHSA-N 2 2 350.463 0.861 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096238328 843784874 /nfs/dbraw/zinc/78/48/74/843784874.db2.gz UWOYKQVLSFBZPY-YVSFHVDLSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096238328 843784883 /nfs/dbraw/zinc/78/48/83/843784883.db2.gz UWOYKQVLSFBZPY-YVSFHVDLSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001097574032 843874149 /nfs/dbraw/zinc/87/41/49/843874149.db2.gz WPTWUZZESNUYMK-DZVNLGKHSA-N 2 2 351.491 0.996 20 0 FCADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001097574032 843874160 /nfs/dbraw/zinc/87/41/60/843874160.db2.gz WPTWUZZESNUYMK-DZVNLGKHSA-N 2 2 351.491 0.996 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001103394811 844749536 /nfs/dbraw/zinc/74/95/36/844749536.db2.gz NLJBALNSYLSTPD-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001103394811 844749540 /nfs/dbraw/zinc/74/95/40/844749540.db2.gz NLJBALNSYLSTPD-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001103394811 844749545 /nfs/dbraw/zinc/74/95/45/844749545.db2.gz NLJBALNSYLSTPD-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001103394811 844749549 /nfs/dbraw/zinc/74/95/49/844749549.db2.gz NLJBALNSYLSTPD-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605367 861493898 /nfs/dbraw/zinc/49/38/98/861493898.db2.gz GZCNLYVRQDSFOF-KBXCAEBGSA-N 2 2 355.479 0.582 20 0 FCADLP C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605367 861493906 /nfs/dbraw/zinc/49/39/06/861493906.db2.gz GZCNLYVRQDSFOF-KBXCAEBGSA-N 2 2 355.479 0.582 20 0 FCADLP C[C@@H](CC(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001103479579 844766543 /nfs/dbraw/zinc/76/65/43/844766543.db2.gz PGLDLRCYPPGBPF-IXDOHACOSA-N 2 2 352.479 0.917 20 0 FCADLP C[C@@H](CC(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001103479579 844766547 /nfs/dbraw/zinc/76/65/47/844766547.db2.gz PGLDLRCYPPGBPF-IXDOHACOSA-N 2 2 352.479 0.917 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609155 861495850 /nfs/dbraw/zinc/49/58/50/861495850.db2.gz HMPSEODRDKHDFI-SFHVURJKSA-N 2 2 352.479 0.304 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609155 861495852 /nfs/dbraw/zinc/49/58/52/861495852.db2.gz HMPSEODRDKHDFI-SFHVURJKSA-N 2 2 352.479 0.304 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276608817 861496055 /nfs/dbraw/zinc/49/60/55/861496055.db2.gz FFBRHJSGIZGQLE-YJBOKZPZSA-N 2 2 355.479 0.441 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276608817 861496062 /nfs/dbraw/zinc/49/60/62/861496062.db2.gz FFBRHJSGIZGQLE-YJBOKZPZSA-N 2 2 355.479 0.441 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@]2(C1)CN(COC(=O)C(C)(C)C)C(=O)CO2 ZINC001276610377 861497630 /nfs/dbraw/zinc/49/76/30/861497630.db2.gz QFAMHMBQOAMPHJ-SFHVURJKSA-N 2 2 355.479 0.788 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@]2(C1)CN(COC(=O)C(C)(C)C)C(=O)CO2 ZINC001276610377 861497634 /nfs/dbraw/zinc/49/76/34/861497634.db2.gz QFAMHMBQOAMPHJ-SFHVURJKSA-N 2 2 355.479 0.788 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642245 844794207 /nfs/dbraw/zinc/79/42/07/844794207.db2.gz WHMFKVCMWLENFG-ZIAGYGMSSA-N 2 2 355.508 0.691 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642245 844794214 /nfs/dbraw/zinc/79/42/14/844794214.db2.gz WHMFKVCMWLENFG-ZIAGYGMSSA-N 2 2 355.508 0.691 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740574 844813591 /nfs/dbraw/zinc/81/35/91/844813591.db2.gz MXWYWVLQYQWALA-KFWWJZLASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740574 844813594 /nfs/dbraw/zinc/81/35/94/844813594.db2.gz MXWYWVLQYQWALA-KFWWJZLASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740574 844813597 /nfs/dbraw/zinc/81/35/97/844813597.db2.gz MXWYWVLQYQWALA-KFWWJZLASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740574 844813599 /nfs/dbraw/zinc/81/35/99/844813599.db2.gz MXWYWVLQYQWALA-KFWWJZLASA-N 2 2 367.519 0.833 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104452773 844913964 /nfs/dbraw/zinc/91/39/64/844913964.db2.gz UOZBBSSDUDROLX-KZNAEPCWSA-N 2 2 355.523 0.944 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104452773 844913968 /nfs/dbraw/zinc/91/39/68/844913968.db2.gz UOZBBSSDUDROLX-KZNAEPCWSA-N 2 2 355.523 0.944 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104468376 844915625 /nfs/dbraw/zinc/91/56/25/844915625.db2.gz XYGFNDSUHNETKO-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1CC[NH2+]CCO ZINC001104577487 844921938 /nfs/dbraw/zinc/92/19/38/844921938.db2.gz PUQUCIXETSFYTJ-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1CC[NH2+]CCO ZINC001104577487 844921943 /nfs/dbraw/zinc/92/19/43/844921943.db2.gz PUQUCIXETSFYTJ-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCF)C1 ZINC001104619658 844927007 /nfs/dbraw/zinc/92/70/07/844927007.db2.gz KCJOKOSHQBAHPD-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCF)C1 ZINC001104619658 844927015 /nfs/dbraw/zinc/92/70/15/844927015.db2.gz KCJOKOSHQBAHPD-XPKDYRNWSA-N 2 2 353.442 0.501 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104775167 844940629 /nfs/dbraw/zinc/94/06/29/844940629.db2.gz CLROMXOHVHCYGK-ARFHVFGLSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104775167 844940639 /nfs/dbraw/zinc/94/06/39/844940639.db2.gz CLROMXOHVHCYGK-ARFHVFGLSA-N 2 2 352.479 0.671 20 0 FCADLP COCCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104910326 844958869 /nfs/dbraw/zinc/95/88/69/844958869.db2.gz FWXQAACCYSPBTC-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106333270 845158099 /nfs/dbraw/zinc/15/80/99/845158099.db2.gz HDPHBBVRHMPKAN-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106343540 845160155 /nfs/dbraw/zinc/16/01/55/845160155.db2.gz HZHJTWVYUQZWOK-QLFBSQMISA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106461812 845178082 /nfs/dbraw/zinc/17/80/82/845178082.db2.gz OAIBKAFXZFNAMW-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701540 861547480 /nfs/dbraw/zinc/54/74/80/861547480.db2.gz KQBOUPDTLQHAGG-KRWDZBQOSA-N 2 2 350.419 0.345 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701540 861547489 /nfs/dbraw/zinc/54/74/89/861547489.db2.gz KQBOUPDTLQHAGG-KRWDZBQOSA-N 2 2 350.419 0.345 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402332 845645590 /nfs/dbraw/zinc/64/55/90/845645590.db2.gz NVCLVKGWOKIALL-MUQADHOPSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402332 845645598 /nfs/dbraw/zinc/64/55/98/845645598.db2.gz NVCLVKGWOKIALL-MUQADHOPSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408445 845647102 /nfs/dbraw/zinc/64/71/02/845647102.db2.gz OEMNDMCZYVWZOT-SIXLDLHFSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408445 845647106 /nfs/dbraw/zinc/64/71/06/845647106.db2.gz OEMNDMCZYVWZOT-SIXLDLHFSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408445 845647109 /nfs/dbraw/zinc/64/71/09/845647109.db2.gz OEMNDMCZYVWZOT-SIXLDLHFSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408445 845647111 /nfs/dbraw/zinc/64/71/11/845647111.db2.gz OEMNDMCZYVWZOT-SIXLDLHFSA-N 2 2 371.547 0.873 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473831 845668522 /nfs/dbraw/zinc/66/85/22/845668522.db2.gz HDSTZOCWYRODRZ-LTIDMASMSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001109473831 845668528 /nfs/dbraw/zinc/66/85/28/845668528.db2.gz HDSTZOCWYRODRZ-LTIDMASMSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109473831 845668537 /nfs/dbraw/zinc/66/85/37/845668537.db2.gz HDSTZOCWYRODRZ-LTIDMASMSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109473831 845668545 /nfs/dbraw/zinc/66/85/45/845668545.db2.gz HDSTZOCWYRODRZ-LTIDMASMSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001109651231 845705543 /nfs/dbraw/zinc/70/55/43/845705543.db2.gz PVHGYRQCOVMGBH-FZKCQIBNSA-N 2 2 371.547 0.730 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001109651231 845705542 /nfs/dbraw/zinc/70/55/42/845705542.db2.gz PVHGYRQCOVMGBH-FZKCQIBNSA-N 2 2 371.547 0.730 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001109673335 845711616 /nfs/dbraw/zinc/71/16/16/845711616.db2.gz JDTUVNNKOAXDFT-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001109673335 845711618 /nfs/dbraw/zinc/71/16/18/845711618.db2.gz JDTUVNNKOAXDFT-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109864958 845749784 /nfs/dbraw/zinc/74/97/84/845749784.db2.gz CSKGAWMHHIMOMP-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109864958 845749792 /nfs/dbraw/zinc/74/97/92/845749792.db2.gz CSKGAWMHHIMOMP-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980338 845772230 /nfs/dbraw/zinc/77/22/30/845772230.db2.gz MFEVFUOWNJDNOS-PMPSAXMXSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980338 845772233 /nfs/dbraw/zinc/77/22/33/845772233.db2.gz MFEVFUOWNJDNOS-PMPSAXMXSA-N 2 2 354.495 0.058 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110161646 845809063 /nfs/dbraw/zinc/80/90/63/845809063.db2.gz NXILDAUBFGAANY-PMPSAXMXSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110161646 845809068 /nfs/dbraw/zinc/80/90/68/845809068.db2.gz NXILDAUBFGAANY-PMPSAXMXSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110161646 845809073 /nfs/dbraw/zinc/80/90/73/845809073.db2.gz NXILDAUBFGAANY-PMPSAXMXSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110161646 845809077 /nfs/dbraw/zinc/80/90/77/845809077.db2.gz NXILDAUBFGAANY-PMPSAXMXSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCN1C[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276794689 861611362 /nfs/dbraw/zinc/61/13/62/861611362.db2.gz QKMJYEXDNBOQIW-QAPCUYQASA-N 2 2 357.495 0.075 20 0 FCADLP CCOCCN1C[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276794689 861611365 /nfs/dbraw/zinc/61/13/65/861611365.db2.gz QKMJYEXDNBOQIW-QAPCUYQASA-N 2 2 357.495 0.075 20 0 FCADLP CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794904 861611596 /nfs/dbraw/zinc/61/15/96/861611596.db2.gz CMHYWKACNBQPND-VQIMIIECSA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794904 861611606 /nfs/dbraw/zinc/61/16/06/861611606.db2.gz CMHYWKACNBQPND-VQIMIIECSA-N 2 2 355.523 0.942 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001110417255 845885782 /nfs/dbraw/zinc/88/57/82/845885782.db2.gz QNEUMMCSDSAGRN-ZJPYXAASSA-N 2 2 351.491 0.855 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001110417255 845885792 /nfs/dbraw/zinc/88/57/92/845885792.db2.gz QNEUMMCSDSAGRN-ZJPYXAASSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)C1 ZINC001110417255 845885801 /nfs/dbraw/zinc/88/58/01/845885801.db2.gz QNEUMMCSDSAGRN-ZJPYXAASSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CCC2)C1 ZINC001110417255 845885813 /nfs/dbraw/zinc/88/58/13/845885813.db2.gz QNEUMMCSDSAGRN-ZJPYXAASSA-N 2 2 351.491 0.855 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001110740806 845963020 /nfs/dbraw/zinc/96/30/20/845963020.db2.gz FGTFLJXKWIRQLS-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001110740806 845963024 /nfs/dbraw/zinc/96/30/24/845963024.db2.gz FGTFLJXKWIRQLS-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001110740806 845963028 /nfs/dbraw/zinc/96/30/28/845963028.db2.gz FGTFLJXKWIRQLS-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001110740806 845963033 /nfs/dbraw/zinc/96/30/33/845963033.db2.gz FGTFLJXKWIRQLS-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754157 845967843 /nfs/dbraw/zinc/96/78/43/845967843.db2.gz HDSTZOCWYRODRZ-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754157 845967847 /nfs/dbraw/zinc/96/78/47/845967847.db2.gz HDSTZOCWYRODRZ-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754157 845967851 /nfs/dbraw/zinc/96/78/51/845967851.db2.gz HDSTZOCWYRODRZ-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754157 845967856 /nfs/dbraw/zinc/96/78/56/845967856.db2.gz HDSTZOCWYRODRZ-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111171540 846053055 /nfs/dbraw/zinc/05/30/55/846053055.db2.gz IMUFUPKTUALCQF-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111171540 846053063 /nfs/dbraw/zinc/05/30/63/846053063.db2.gz IMUFUPKTUALCQF-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001111169592 846053385 /nfs/dbraw/zinc/05/33/85/846053385.db2.gz ZYKRGJQKCGNCQH-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001111169592 846053395 /nfs/dbraw/zinc/05/33/95/846053395.db2.gz ZYKRGJQKCGNCQH-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111341248 846091563 /nfs/dbraw/zinc/09/15/63/846091563.db2.gz SKGHXZLXXKYUAV-OIISXLGYSA-N 2 2 350.463 0.737 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]cn1C)C2 ZINC001111341248 846091569 /nfs/dbraw/zinc/09/15/69/846091569.db2.gz SKGHXZLXXKYUAV-OIISXLGYSA-N 2 2 350.463 0.737 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465298 846117893 /nfs/dbraw/zinc/11/78/93/846117893.db2.gz NXILDAUBFGAANY-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465298 846117900 /nfs/dbraw/zinc/11/79/00/846117900.db2.gz NXILDAUBFGAANY-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465298 846117903 /nfs/dbraw/zinc/11/79/03/846117903.db2.gz NXILDAUBFGAANY-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465298 846117912 /nfs/dbraw/zinc/11/79/12/846117912.db2.gz NXILDAUBFGAANY-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984953 846283814 /nfs/dbraw/zinc/28/38/14/846283814.db2.gz WINPJOUMLZOBNJ-GJYPPUQNSA-N 2 2 350.507 0.968 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984953 846283823 /nfs/dbraw/zinc/28/38/23/846283823.db2.gz WINPJOUMLZOBNJ-GJYPPUQNSA-N 2 2 350.507 0.968 20 0 FCADLP CCC(=O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276873849 861663655 /nfs/dbraw/zinc/66/36/55/861663655.db2.gz WQDMHJZGRJRGSZ-IBGZPJMESA-N 2 2 350.507 0.670 20 0 FCADLP CCC(=O)C[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276873849 861663659 /nfs/dbraw/zinc/66/36/59/861663659.db2.gz WQDMHJZGRJRGSZ-IBGZPJMESA-N 2 2 350.507 0.670 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112198212 846457062 /nfs/dbraw/zinc/45/70/62/846457062.db2.gz HWNZMHPFERFJLZ-CHWSQXEVSA-N 2 2 362.400 0.636 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112198212 846457063 /nfs/dbraw/zinc/45/70/63/846457063.db2.gz HWNZMHPFERFJLZ-CHWSQXEVSA-N 2 2 362.400 0.636 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112331640 846493944 /nfs/dbraw/zinc/49/39/44/846493944.db2.gz PKCVDAQAOLDKLP-YJBOKZPZSA-N 2 2 350.463 0.570 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CC[N@@H+]1C ZINC001112864798 846537127 /nfs/dbraw/zinc/53/71/27/846537127.db2.gz CZBRKHWRKYZZNI-CHWSQXEVSA-N 2 2 364.412 0.539 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CC[N@H+]1C ZINC001112864798 846537130 /nfs/dbraw/zinc/53/71/30/846537130.db2.gz CZBRKHWRKYZZNI-CHWSQXEVSA-N 2 2 364.412 0.539 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3(C)CCCC3)C2)CC1 ZINC001117365434 846983003 /nfs/dbraw/zinc/98/30/03/846983003.db2.gz LSUIXEXHUYKODS-HNNXBMFYSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3(C)CCCC3)C2)CC1 ZINC001117365434 846983007 /nfs/dbraw/zinc/98/30/07/846983007.db2.gz LSUIXEXHUYKODS-HNNXBMFYSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCCS(N)(=O)=O)CC2)CC1 ZINC001118302878 847371466 /nfs/dbraw/zinc/37/14/66/847371466.db2.gz BCYDWEPIHJTIDQ-UHFFFAOYSA-N 2 2 374.551 0.510 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118631655 847507440 /nfs/dbraw/zinc/50/74/40/847507440.db2.gz XJSSTEYTYWEAJV-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001119108513 847724103 /nfs/dbraw/zinc/72/41/03/847724103.db2.gz FRPFJBCCSVFXCG-UHFFFAOYSA-N 2 2 351.539 0.252 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001119362238 847823200 /nfs/dbraw/zinc/82/32/00/847823200.db2.gz JJMXJJMGVJAQNF-ZDUSSCGKSA-N 2 2 365.503 0.365 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001120503087 848223828 /nfs/dbraw/zinc/22/38/28/848223828.db2.gz IPWRYMMMBACKCY-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001120503087 848223835 /nfs/dbraw/zinc/22/38/35/848223835.db2.gz IPWRYMMMBACKCY-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP [NH3+]CCCSCCC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001121938788 848422070 /nfs/dbraw/zinc/42/20/70/848422070.db2.gz XVZBBKSPCZNNQD-UHFFFAOYSA-N 2 2 352.508 0.559 20 0 FCADLP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1CC[NH+](C2CCCC2)CC1 ZINC001121983392 848430157 /nfs/dbraw/zinc/43/01/57/848430157.db2.gz YGKYXLRMTHGDNL-VNQPRFMTSA-N 2 2 355.504 0.096 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)CC[N@@H+]1C ZINC001127643576 848729531 /nfs/dbraw/zinc/72/95/31/848729531.db2.gz BLAZFDRXSHKLDX-HZSPNIEDSA-N 2 2 351.451 0.510 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)CC[N@H+]1C ZINC001127643576 848729546 /nfs/dbraw/zinc/72/95/46/848729546.db2.gz BLAZFDRXSHKLDX-HZSPNIEDSA-N 2 2 351.451 0.510 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCc1cccs1 ZINC001129901320 848911956 /nfs/dbraw/zinc/91/19/56/848911956.db2.gz SLGCBOILSGVMFZ-MRVWCRGKSA-N 2 2 361.471 0.985 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001130107000 848945558 /nfs/dbraw/zinc/94/55/58/848945558.db2.gz CUCVBUFRNBMVND-KGLIPLIRSA-N 2 2 363.491 0.618 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001130107000 848945569 /nfs/dbraw/zinc/94/55/69/848945569.db2.gz CUCVBUFRNBMVND-KGLIPLIRSA-N 2 2 363.491 0.618 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001130107363 848945686 /nfs/dbraw/zinc/94/56/86/848945686.db2.gz MCHLUDZAUQLTTH-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001130107363 848945691 /nfs/dbraw/zinc/94/56/91/848945691.db2.gz MCHLUDZAUQLTTH-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(-c3cccs3)no2)O1 ZINC001130182391 848959962 /nfs/dbraw/zinc/95/99/62/848959962.db2.gz GBEGZOPCKUVZBA-VXGBXAGGSA-N 2 2 365.459 0.723 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(-c3cccs3)no2)O1 ZINC001130182391 848959975 /nfs/dbraw/zinc/95/99/75/848959975.db2.gz GBEGZOPCKUVZBA-VXGBXAGGSA-N 2 2 365.459 0.723 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2csnn2)c1 ZINC001130670281 849026074 /nfs/dbraw/zinc/02/60/74/849026074.db2.gz VBBXMQNIJSMVFU-DZGCQCFKSA-N 2 2 363.491 0.308 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1)[NH+](C)C ZINC001130790203 849044460 /nfs/dbraw/zinc/04/44/60/849044460.db2.gz MUKFTMGAPQOYLU-BFHYXJOUSA-N 2 2 352.483 0.979 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)[NH+](C)C ZINC001130809464 849047602 /nfs/dbraw/zinc/04/76/02/849047602.db2.gz ZTXZEDMAVCRGTK-RWMBFGLXSA-N 2 2 356.446 0.540 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)CCC)n[nH]2)O1 ZINC001130816393 849047985 /nfs/dbraw/zinc/04/79/85/849047985.db2.gz URLYTOKCWXEBBK-UONOGXRCSA-N 2 2 352.483 0.982 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)CCC)n[nH]2)O1 ZINC001130816393 849047994 /nfs/dbraw/zinc/04/79/94/849047994.db2.gz URLYTOKCWXEBBK-UONOGXRCSA-N 2 2 352.483 0.982 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001134049283 849170724 /nfs/dbraw/zinc/17/07/24/849170724.db2.gz ARSKQXSMZPVLHD-ZIAGYGMSSA-N 2 2 354.476 0.054 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045511 849171248 /nfs/dbraw/zinc/17/12/48/849171248.db2.gz JKMTXEPREFUQFH-ZIAGYGMSSA-N 2 2 356.492 0.443 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CNC(=O)O4)CC3)s2)CC1 ZINC001139323223 849335665 /nfs/dbraw/zinc/33/56/65/849335665.db2.gz GOIXVNVDJDEVBF-UHFFFAOYSA-N 2 2 351.476 0.969 20 0 FCADLP CN1CC[NH+](CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC001143236929 849479500 /nfs/dbraw/zinc/47/95/00/849479500.db2.gz XFUZIRLVSNCRBY-UHFFFAOYSA-N 2 2 352.523 0.775 20 0 FCADLP C[NH+]1CCN(CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC001143236929 849479508 /nfs/dbraw/zinc/47/95/08/849479508.db2.gz XFUZIRLVSNCRBY-UHFFFAOYSA-N 2 2 352.523 0.775 20 0 FCADLP CN1CC[NH+](CCC(=O)NC2CC[NH+](CC(=O)C(C)(C)C)CC2)CC1 ZINC001143236985 849479646 /nfs/dbraw/zinc/47/96/46/849479646.db2.gz DHRWDKKNSPSHPS-UHFFFAOYSA-N 2 2 352.523 0.820 20 0 FCADLP C[NH+]1CCN(CCC(=O)NC2CC[NH+](CC(=O)C(C)(C)C)CC2)CC1 ZINC001143236985 849479648 /nfs/dbraw/zinc/47/96/48/849479648.db2.gz DHRWDKKNSPSHPS-UHFFFAOYSA-N 2 2 352.523 0.820 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277720296 862033973 /nfs/dbraw/zinc/03/39/73/862033973.db2.gz WGHFFZXHDWOFDX-WMZOPIPTSA-N 2 2 350.463 0.738 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277720296 862033997 /nfs/dbraw/zinc/03/39/97/862033997.db2.gz WGHFFZXHDWOFDX-WMZOPIPTSA-N 2 2 350.463 0.738 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC001151275371 849682602 /nfs/dbraw/zinc/68/26/02/849682602.db2.gz WOFGUIGUEQHKAF-AWEZNQCLSA-N 2 2 356.492 0.700 20 0 FCADLP CCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733903 862048962 /nfs/dbraw/zinc/04/89/62/862048962.db2.gz HGORIIANLBPEQX-FUHWJXTLSA-N 2 2 350.463 0.738 20 0 FCADLP CCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733903 862048975 /nfs/dbraw/zinc/04/89/75/862048975.db2.gz HGORIIANLBPEQX-FUHWJXTLSA-N 2 2 350.463 0.738 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158209230 850024270 /nfs/dbraw/zinc/02/42/70/850024270.db2.gz MBRCXYRTAINLCH-GFCCVEGCSA-N 2 2 353.448 0.160 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC001158209591 850024339 /nfs/dbraw/zinc/02/43/39/850024339.db2.gz ZAQUYQGJJSEGCZ-GFCCVEGCSA-N 2 2 365.821 0.255 20 0 FCADLP COC(=O)Cc1c(Cl)ncnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259309 850030832 /nfs/dbraw/zinc/03/08/32/850030832.db2.gz QHKXVHZCKBZDFG-NSHDSACASA-N 2 2 353.854 0.847 20 0 FCADLP COC(=O)Cc1c(Cl)ncnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259309 850030836 /nfs/dbraw/zinc/03/08/36/850030836.db2.gz QHKXVHZCKBZDFG-NSHDSACASA-N 2 2 353.854 0.847 20 0 FCADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)C1(F)C[NH2+]C1)C2 ZINC001158467995 850055156 /nfs/dbraw/zinc/05/51/56/850055156.db2.gz LMZPQOCQHHQEMC-SUMWQHHRSA-N 2 2 353.438 0.469 20 0 FCADLP CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001158788984 850076498 /nfs/dbraw/zinc/07/64/98/850076498.db2.gz CEWRSCTUVFVMBU-YPMHNXCESA-N 2 2 365.503 0.242 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001159078743 850096083 /nfs/dbraw/zinc/09/60/83/850096083.db2.gz ZCRWPDYQKAJWMG-QGTPRVQTSA-N 2 2 353.463 0.383 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001159746518 850133080 /nfs/dbraw/zinc/13/30/80/850133080.db2.gz OWEGFBGPKCCOBK-SOUVJXGZSA-N 2 2 359.455 0.758 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)C1 ZINC001159910118 850145472 /nfs/dbraw/zinc/14/54/72/850145472.db2.gz OCYXKIBXLISZSP-WZYWGQKZSA-N 2 2 366.487 0.355 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)C1 ZINC001159910107 850145637 /nfs/dbraw/zinc/14/56/37/850145637.db2.gz OCYXKIBXLISZSP-SMSYFYOWSA-N 2 2 366.487 0.355 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)C1 ZINC001160078082 850152996 /nfs/dbraw/zinc/15/29/96/850152996.db2.gz YNFWKMBZWONZEF-QPGZIWCOSA-N 2 2 350.394 0.047 20 0 FCADLP O=C(N1CCC(Oc2cc(Cl)ncn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160506608 850178169 /nfs/dbraw/zinc/17/81/69/850178169.db2.gz OLZBJRYKSZDBGM-ZBEGNZNMSA-N 2 2 351.838 0.451 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512108 850178420 /nfs/dbraw/zinc/17/84/20/850178420.db2.gz RXEUIWBHJPDCLW-OAHLLOKOSA-N 2 2 352.464 0.605 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795367 862101480 /nfs/dbraw/zinc/10/14/80/862101480.db2.gz WJQVYXNBEQSEQE-AEFFLSMTSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795367 862101484 /nfs/dbraw/zinc/10/14/84/862101484.db2.gz WJQVYXNBEQSEQE-AEFFLSMTSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160731376 850195449 /nfs/dbraw/zinc/19/54/49/850195449.db2.gz VBHWZGKKUVKXKQ-AWEZNQCLSA-N 2 2 351.451 0.305 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C3CC3)s2)O1 ZINC001160851303 850204027 /nfs/dbraw/zinc/20/40/27/850204027.db2.gz WJFZOQWMHFHVLP-DGCLKSJQSA-N 2 2 353.492 0.731 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C3CC3)s2)O1 ZINC001160851303 850204036 /nfs/dbraw/zinc/20/40/36/850204036.db2.gz WJFZOQWMHFHVLP-DGCLKSJQSA-N 2 2 353.492 0.731 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C(C)(C)C)[nH]2)O1 ZINC001160862619 850208762 /nfs/dbraw/zinc/20/87/62/850208762.db2.gz SBOCYSBWANCVTR-CHWSQXEVSA-N 2 2 352.483 0.417 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C(C)(C)C)[nH]2)O1 ZINC001160862619 850208774 /nfs/dbraw/zinc/20/87/74/850208774.db2.gz SBOCYSBWANCVTR-CHWSQXEVSA-N 2 2 352.483 0.417 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)C1 ZINC001161138619 850232738 /nfs/dbraw/zinc/23/27/38/850232738.db2.gz XFQANIPOUPPDNS-IUODEOHRSA-N 2 2 359.348 0.678 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)C1 ZINC001161138618 850232954 /nfs/dbraw/zinc/23/29/54/850232954.db2.gz XFQANIPOUPPDNS-DOMZBBRYSA-N 2 2 359.348 0.678 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001161237528 850241966 /nfs/dbraw/zinc/24/19/66/850241966.db2.gz LTIZYMGSUMEMNZ-WFASDCNBSA-N 2 2 355.385 0.540 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001161237528 850241975 /nfs/dbraw/zinc/24/19/75/850241975.db2.gz LTIZYMGSUMEMNZ-WFASDCNBSA-N 2 2 355.385 0.540 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520194 850266588 /nfs/dbraw/zinc/26/65/88/850266588.db2.gz JVGAZHXXNWRQHI-ZBAXXZLZSA-N 2 2 354.252 0.369 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC2(CCC(=O)N(Cc3c[nH+]cn3C)C2)CC1 ZINC001277810029 862110224 /nfs/dbraw/zinc/11/02/24/862110224.db2.gz IKPFFWSQAJQYAP-INIZCTEOSA-N 2 2 350.463 0.632 20 0 FCADLP CCc1cc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nc(N2CCOCC2)[nH+]1 ZINC001162855055 850334324 /nfs/dbraw/zinc/33/43/24/850334324.db2.gz ZOAPUNXBSMAGCL-ZDUSSCGKSA-N 2 2 351.451 0.957 20 0 FCADLP COc1c[nH+]c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1NC(C)C ZINC001165339974 850434201 /nfs/dbraw/zinc/43/42/01/850434201.db2.gz GMAJCORZAVUYDZ-KRWDZBQOSA-N 2 2 351.451 0.891 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001167270893 850538006 /nfs/dbraw/zinc/53/80/06/850538006.db2.gz DUEVMWDCEDGADO-HUUCEWRRSA-N 2 2 350.463 0.409 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2nc3ncsc3c(N3CCOCC3)n2)CC1 ZINC001168736633 850593441 /nfs/dbraw/zinc/59/34/41/850593441.db2.gz OSWWYRBHYGAUGM-UHFFFAOYSA-N 2 2 362.463 0.517 20 0 FCADLP CCOC(=O)Cc1c(Cl)nc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066488 850604459 /nfs/dbraw/zinc/60/44/59/850604459.db2.gz FOXRLOBMPJYEKP-MRVPVSSYSA-N 2 2 374.228 0.937 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001169075602 850605333 /nfs/dbraw/zinc/60/53/33/850605333.db2.gz ZJKPZUJIOIVIAN-CYBMUJFWSA-N 3 2 364.471 0.260 20 0 FCADLP CC[NH+]1CCC([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001169241053 850609992 /nfs/dbraw/zinc/60/99/92/850609992.db2.gz QDRUVQBEWOIXHN-UHFFFAOYSA-N 2 2 352.504 0.890 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2C[C@H]2[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170025104 850644330 /nfs/dbraw/zinc/64/43/30/850644330.db2.gz GIVGIVGYDCAURD-LOWDOPEQSA-N 2 2 356.492 0.587 20 0 FCADLP Cc1noc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001171486715 850687098 /nfs/dbraw/zinc/68/70/98/850687098.db2.gz NXIITQDMZOKREM-UMVBOHGHSA-N 2 2 353.467 0.862 20 0 FCADLP Cc1noc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001171486715 850687103 /nfs/dbraw/zinc/68/71/03/850687103.db2.gz NXIITQDMZOKREM-UMVBOHGHSA-N 2 2 353.467 0.862 20 0 FCADLP C[C@H](C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)n1cc[nH+]c1 ZINC001177922471 850876950 /nfs/dbraw/zinc/87/69/50/850876950.db2.gz LLHIDJLPRSCQAH-SNVBAGLBSA-N 2 2 353.404 0.066 20 0 FCADLP C[NH+](C)CCNC(=S)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001278101326 862186763 /nfs/dbraw/zinc/18/67/63/862186763.db2.gz KJGTXDUGQVHBFS-QGZVFWFLSA-N 2 2 364.519 0.386 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N[C@H](C[NH+]2CCOCC2)C(C)(C)C)CC1 ZINC001180351954 851028185 /nfs/dbraw/zinc/02/81/85/851028185.db2.gz FBEFGFBHNJIIOO-QGZVFWFLSA-N 2 2 354.539 0.876 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759787 851062579 /nfs/dbraw/zinc/06/25/79/851062579.db2.gz RGVLTKKNQXUJAO-ZNMIVQPWSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759787 851062591 /nfs/dbraw/zinc/06/25/91/851062591.db2.gz RGVLTKKNQXUJAO-ZNMIVQPWSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001180759787 851062600 /nfs/dbraw/zinc/06/26/00/851062600.db2.gz RGVLTKKNQXUJAO-ZNMIVQPWSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001180759787 851062614 /nfs/dbraw/zinc/06/26/14/851062614.db2.gz RGVLTKKNQXUJAO-ZNMIVQPWSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NCC3CC3)CC2)C1=O ZINC001186595265 851443121 /nfs/dbraw/zinc/44/31/21/851443121.db2.gz OGSJQTYOYDVOQF-UHFFFAOYSA-N 2 2 351.495 0.276 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NCC3CC3)CC2)C1=O ZINC001186595265 851443133 /nfs/dbraw/zinc/44/31/33/851443133.db2.gz OGSJQTYOYDVOQF-UHFFFAOYSA-N 2 2 351.495 0.276 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305023 851543990 /nfs/dbraw/zinc/54/39/90/851543990.db2.gz POGUIQMOYVSZDD-ARFHVFGLSA-N 2 2 369.531 0.438 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305023 851544000 /nfs/dbraw/zinc/54/40/00/851544000.db2.gz POGUIQMOYVSZDD-ARFHVFGLSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305023 851544012 /nfs/dbraw/zinc/54/40/12/851544012.db2.gz POGUIQMOYVSZDD-ARFHVFGLSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305023 851544022 /nfs/dbraw/zinc/54/40/22/851544022.db2.gz POGUIQMOYVSZDD-ARFHVFGLSA-N 2 2 369.531 0.438 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187432548 851565336 /nfs/dbraw/zinc/56/53/36/851565336.db2.gz UBQRKMVNWBZBSM-KSZLIROESA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187432548 851565342 /nfs/dbraw/zinc/56/53/42/851565342.db2.gz UBQRKMVNWBZBSM-KSZLIROESA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001187432548 851565346 /nfs/dbraw/zinc/56/53/46/851565346.db2.gz UBQRKMVNWBZBSM-KSZLIROESA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001187432548 851565351 /nfs/dbraw/zinc/56/53/51/851565351.db2.gz UBQRKMVNWBZBSM-KSZLIROESA-N 2 2 353.507 0.912 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001188818334 851729433 /nfs/dbraw/zinc/72/94/33/851729433.db2.gz DJMAPKBTYURRKM-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001188818334 851729438 /nfs/dbraw/zinc/72/94/38/851729438.db2.gz DJMAPKBTYURRKM-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001188818334 851729446 /nfs/dbraw/zinc/72/94/46/851729446.db2.gz DJMAPKBTYURRKM-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001188818334 851729451 /nfs/dbraw/zinc/72/94/51/851729451.db2.gz DJMAPKBTYURRKM-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189061648 851747818 /nfs/dbraw/zinc/74/78/18/851747818.db2.gz JRVYYQJDSJSHLZ-QWHCGFSZSA-N 2 2 364.412 0.492 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189061648 851747824 /nfs/dbraw/zinc/74/78/24/851747824.db2.gz JRVYYQJDSJSHLZ-QWHCGFSZSA-N 2 2 364.412 0.492 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189810834 851827178 /nfs/dbraw/zinc/82/71/78/851827178.db2.gz JHNPVLLQBCSFBW-AEGPPILISA-N 2 2 351.451 0.550 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189810834 851827184 /nfs/dbraw/zinc/82/71/84/851827184.db2.gz JHNPVLLQBCSFBW-AEGPPILISA-N 2 2 351.451 0.550 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176801 851870708 /nfs/dbraw/zinc/87/07/08/851870708.db2.gz GOGUOHYESINQOM-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176801 851870710 /nfs/dbraw/zinc/87/07/10/851870710.db2.gz GOGUOHYESINQOM-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP CCOC(=O)[C@H](CCSC)NC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001193255952 852398363 /nfs/dbraw/zinc/39/83/63/852398363.db2.gz LTQQIXPZNFYILW-AWEZNQCLSA-N 2 2 374.551 0.996 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001193447355 852429073 /nfs/dbraw/zinc/42/90/73/852429073.db2.gz PACGKEZHGRZBPW-YNEHKIRRSA-N 2 2 355.401 0.109 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001193447355 852429076 /nfs/dbraw/zinc/42/90/76/852429076.db2.gz PACGKEZHGRZBPW-YNEHKIRRSA-N 2 2 355.401 0.109 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001193447695 852429233 /nfs/dbraw/zinc/42/92/33/852429233.db2.gz VVRLLAGMLBISLG-GVDBMIGSSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001193447695 852429237 /nfs/dbraw/zinc/42/92/37/852429237.db2.gz VVRLLAGMLBISLG-GVDBMIGSSA-N 2 2 352.454 0.731 20 0 FCADLP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756914 852482947 /nfs/dbraw/zinc/48/29/47/852482947.db2.gz VLEXMDOQEKIQPY-IXDOHACOSA-N 2 2 351.495 0.411 20 0 FCADLP CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756914 852482952 /nfs/dbraw/zinc/48/29/52/852482952.db2.gz VLEXMDOQEKIQPY-IXDOHACOSA-N 2 2 351.495 0.411 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892922 852502912 /nfs/dbraw/zinc/50/29/12/852502912.db2.gz WCOUDLWRCKPWIP-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892922 852502915 /nfs/dbraw/zinc/50/29/15/852502915.db2.gz WCOUDLWRCKPWIP-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892922 852502917 /nfs/dbraw/zinc/50/29/17/852502917.db2.gz WCOUDLWRCKPWIP-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001193892922 852502921 /nfs/dbraw/zinc/50/29/21/852502921.db2.gz WCOUDLWRCKPWIP-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001194244538 852563864 /nfs/dbraw/zinc/56/38/64/852563864.db2.gz RIRWRTFEUMNUHS-BZUAXINKSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001194244538 852563872 /nfs/dbraw/zinc/56/38/72/852563872.db2.gz RIRWRTFEUMNUHS-BZUAXINKSA-N 2 2 350.463 0.422 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745944 852643475 /nfs/dbraw/zinc/64/34/75/852643475.db2.gz OTXXMMIDWHUPNS-NVXWUHKLSA-N 2 2 350.463 0.350 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745944 852643479 /nfs/dbraw/zinc/64/34/79/852643479.db2.gz OTXXMMIDWHUPNS-NVXWUHKLSA-N 2 2 350.463 0.350 20 0 FCADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)s1 ZINC001278584293 862381017 /nfs/dbraw/zinc/38/10/17/862381017.db2.gz XEJPJGAYNRVJPB-CABCVRRESA-N 2 2 353.488 0.981 20 0 FCADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)s1 ZINC001278584293 862381035 /nfs/dbraw/zinc/38/10/35/862381035.db2.gz XEJPJGAYNRVJPB-CABCVRRESA-N 2 2 353.488 0.981 20 0 FCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC001195389732 852755807 /nfs/dbraw/zinc/75/58/07/852755807.db2.gz LJVQVNFWENCKTP-UHFFFAOYSA-N 2 2 351.361 0.679 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195702066 852814381 /nfs/dbraw/zinc/81/43/81/852814381.db2.gz WRTPYQHMNYWFJA-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C(C)C ZINC001195702066 852814385 /nfs/dbraw/zinc/81/43/85/852814385.db2.gz WRTPYQHMNYWFJA-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1O)[NH+](CC)CC ZINC001196115223 852893708 /nfs/dbraw/zinc/89/37/08/852893708.db2.gz LMDQAKZUYLQZDG-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1O)[NH+](CC)CC ZINC001196115223 852893711 /nfs/dbraw/zinc/89/37/11/852893711.db2.gz LMDQAKZUYLQZDG-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057571 853054081 /nfs/dbraw/zinc/05/40/81/853054081.db2.gz FDBFFMPNCRLGNC-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057571 853054092 /nfs/dbraw/zinc/05/40/92/853054092.db2.gz FDBFFMPNCRLGNC-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197535823 853128060 /nfs/dbraw/zinc/12/80/60/853128060.db2.gz FLHNOBRWMJOSLI-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197535823 853128063 /nfs/dbraw/zinc/12/80/63/853128063.db2.gz FLHNOBRWMJOSLI-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197535823 853128066 /nfs/dbraw/zinc/12/80/66/853128066.db2.gz FLHNOBRWMJOSLI-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197535823 853128067 /nfs/dbraw/zinc/12/80/67/853128067.db2.gz FLHNOBRWMJOSLI-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926671 853187610 /nfs/dbraw/zinc/18/76/10/853187610.db2.gz SAXBUALTJRYCCP-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926671 853187613 /nfs/dbraw/zinc/18/76/13/853187613.db2.gz SAXBUALTJRYCCP-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038065 853209838 /nfs/dbraw/zinc/20/98/38/853209838.db2.gz ISMORCKSNFYLNG-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038065 853209829 /nfs/dbraw/zinc/20/98/29/853209829.db2.gz ISMORCKSNFYLNG-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038065 853209847 /nfs/dbraw/zinc/20/98/47/853209847.db2.gz ISMORCKSNFYLNG-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038065 853209857 /nfs/dbraw/zinc/20/98/57/853209857.db2.gz ISMORCKSNFYLNG-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1O ZINC001198038849 853209933 /nfs/dbraw/zinc/20/99/33/853209933.db2.gz VWTXNHZVNWLKJU-HUUCEWRRSA-N 2 2 370.519 0.111 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1O ZINC001198038849 853209944 /nfs/dbraw/zinc/20/99/44/853209944.db2.gz VWTXNHZVNWLKJU-HUUCEWRRSA-N 2 2 370.519 0.111 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001198038849 853209952 /nfs/dbraw/zinc/20/99/52/853209952.db2.gz VWTXNHZVNWLKJU-HUUCEWRRSA-N 2 2 370.519 0.111 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001198038849 853209959 /nfs/dbraw/zinc/20/99/59/853209959.db2.gz VWTXNHZVNWLKJU-HUUCEWRRSA-N 2 2 370.519 0.111 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001198291634 853245270 /nfs/dbraw/zinc/24/52/70/853245270.db2.gz FGGDHKJHZNXBJF-IAGOWNOFSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001198291634 853245273 /nfs/dbraw/zinc/24/52/73/853245273.db2.gz FGGDHKJHZNXBJF-IAGOWNOFSA-N 2 2 350.463 0.331 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O ZINC001198699101 853303972 /nfs/dbraw/zinc/30/39/72/853303972.db2.gz IURHXKDDRLGDIU-NUEKZKHPSA-N 2 2 353.488 0.378 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001198699101 853303974 /nfs/dbraw/zinc/30/39/74/853303974.db2.gz IURHXKDDRLGDIU-NUEKZKHPSA-N 2 2 353.488 0.378 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104463 853371403 /nfs/dbraw/zinc/37/14/03/853371403.db2.gz MXZVAEZNLPWJJR-ARFHVFGLSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104463 853371404 /nfs/dbraw/zinc/37/14/04/853371404.db2.gz MXZVAEZNLPWJJR-ARFHVFGLSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104463 853371405 /nfs/dbraw/zinc/37/14/05/853371405.db2.gz MXZVAEZNLPWJJR-ARFHVFGLSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104463 853371409 /nfs/dbraw/zinc/37/14/09/853371409.db2.gz MXZVAEZNLPWJJR-ARFHVFGLSA-N 2 2 356.511 0.039 20 0 FCADLP C[C@@H](C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)CS(C)(=O)=O ZINC001201125090 853517736 /nfs/dbraw/zinc/51/77/36/853517736.db2.gz GGFTZXRUYKKSIE-NWANDNLSSA-N 2 2 368.503 0.775 20 0 FCADLP C[C@@H](C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)CS(C)(=O)=O ZINC001201125090 853517745 /nfs/dbraw/zinc/51/77/45/853517745.db2.gz GGFTZXRUYKKSIE-NWANDNLSSA-N 2 2 368.503 0.775 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206619851 853704354 /nfs/dbraw/zinc/70/43/54/853704354.db2.gz IMZUXKHFNBSAQY-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206619851 853704362 /nfs/dbraw/zinc/70/43/62/853704362.db2.gz IMZUXKHFNBSAQY-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206619851 853704369 /nfs/dbraw/zinc/70/43/69/853704369.db2.gz IMZUXKHFNBSAQY-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206619851 853704377 /nfs/dbraw/zinc/70/43/77/853704377.db2.gz IMZUXKHFNBSAQY-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001207015206 853780195 /nfs/dbraw/zinc/78/01/95/853780195.db2.gz XAJJPJVKNHQWSR-GDBMZVCRSA-N 2 2 350.463 0.207 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001207015206 853780203 /nfs/dbraw/zinc/78/02/03/853780203.db2.gz XAJJPJVKNHQWSR-GDBMZVCRSA-N 2 2 350.463 0.207 20 0 FCADLP CC(C)(C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1)N1CCOCC1 ZINC001207304617 853802487 /nfs/dbraw/zinc/80/24/87/853802487.db2.gz CZAYZYPFZNBKRT-UHFFFAOYSA-N 2 2 352.523 0.759 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547169 853823263 /nfs/dbraw/zinc/82/32/63/853823263.db2.gz NPKCCGYEYMREIK-BRWVUGGUSA-N 2 2 351.495 0.675 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547169 853823265 /nfs/dbraw/zinc/82/32/65/853823265.db2.gz NPKCCGYEYMREIK-BRWVUGGUSA-N 2 2 351.495 0.675 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563343 853825859 /nfs/dbraw/zinc/82/58/59/853825859.db2.gz PYOAAIRETNLFDH-IIAWOOMASA-N 2 2 359.536 0.588 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563343 853825861 /nfs/dbraw/zinc/82/58/61/853825861.db2.gz PYOAAIRETNLFDH-IIAWOOMASA-N 2 2 359.536 0.588 20 0 FCADLP C[C@H](C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563343 853825865 /nfs/dbraw/zinc/82/58/65/853825865.db2.gz PYOAAIRETNLFDH-IIAWOOMASA-N 2 2 359.536 0.588 20 0 FCADLP C[C@H](C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563343 853825869 /nfs/dbraw/zinc/82/58/69/853825869.db2.gz PYOAAIRETNLFDH-IIAWOOMASA-N 2 2 359.536 0.588 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001207750512 853854507 /nfs/dbraw/zinc/85/45/07/853854507.db2.gz SGBQSNRMAFPPCY-HUUCEWRRSA-N 2 2 361.552 0.978 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001207750512 853854514 /nfs/dbraw/zinc/85/45/14/853854514.db2.gz SGBQSNRMAFPPCY-HUUCEWRRSA-N 2 2 361.552 0.978 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001207750512 853854519 /nfs/dbraw/zinc/85/45/19/853854519.db2.gz SGBQSNRMAFPPCY-HUUCEWRRSA-N 2 2 361.552 0.978 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)CC)C[C@H]1C ZINC001207750512 853854523 /nfs/dbraw/zinc/85/45/23/853854523.db2.gz SGBQSNRMAFPPCY-HUUCEWRRSA-N 2 2 361.552 0.978 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252222 853907484 /nfs/dbraw/zinc/90/74/84/853907484.db2.gz FGJQWHGROCFSJK-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252222 853907489 /nfs/dbraw/zinc/90/74/89/853907489.db2.gz FGJQWHGROCFSJK-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208438035 853934907 /nfs/dbraw/zinc/93/49/07/853934907.db2.gz APYKGUGLXWMPEE-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208438035 853934908 /nfs/dbraw/zinc/93/49/08/853934908.db2.gz APYKGUGLXWMPEE-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447690 853935552 /nfs/dbraw/zinc/93/55/52/853935552.db2.gz LSNYCMXDZILHKW-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447690 853935555 /nfs/dbraw/zinc/93/55/55/853935555.db2.gz LSNYCMXDZILHKW-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575311 853955262 /nfs/dbraw/zinc/95/52/62/853955262.db2.gz MXLLZCDQATWWQG-RBSFLKMASA-N 2 2 362.540 0.093 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575311 853955266 /nfs/dbraw/zinc/95/52/66/853955266.db2.gz MXLLZCDQATWWQG-RBSFLKMASA-N 2 2 362.540 0.093 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208590526 853957042 /nfs/dbraw/zinc/95/70/42/853957042.db2.gz HHTZOODKQILEJF-ZMSDIMECSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001208590526 853957046 /nfs/dbraw/zinc/95/70/46/853957046.db2.gz HHTZOODKQILEJF-ZMSDIMECSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208590526 853957049 /nfs/dbraw/zinc/95/70/49/853957049.db2.gz HHTZOODKQILEJF-ZMSDIMECSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208590526 853957052 /nfs/dbraw/zinc/95/70/52/853957052.db2.gz HHTZOODKQILEJF-ZMSDIMECSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208984550 853988017 /nfs/dbraw/zinc/98/80/17/853988017.db2.gz DEDDGTPHAFRUMP-RBSFLKMASA-N 2 2 371.507 0.162 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208984550 853988023 /nfs/dbraw/zinc/98/80/23/853988023.db2.gz DEDDGTPHAFRUMP-RBSFLKMASA-N 2 2 371.507 0.162 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515278 854034141 /nfs/dbraw/zinc/03/41/41/854034141.db2.gz UKVHNLYMJXFSDT-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515278 854034147 /nfs/dbraw/zinc/03/41/47/854034147.db2.gz UKVHNLYMJXFSDT-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211054630 854151872 /nfs/dbraw/zinc/15/18/72/854151872.db2.gz RCZGEVMNCJIHLC-IIAWOOMASA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211054630 854151876 /nfs/dbraw/zinc/15/18/76/854151876.db2.gz RCZGEVMNCJIHLC-IIAWOOMASA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211054504 854151915 /nfs/dbraw/zinc/15/19/15/854151915.db2.gz PNGSNDDKUBRDQJ-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211054504 854151918 /nfs/dbraw/zinc/15/19/18/854151918.db2.gz PNGSNDDKUBRDQJ-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407630 854466227 /nfs/dbraw/zinc/46/62/27/854466227.db2.gz CAHPMKADFXJYRO-HUUCEWRRSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407630 854466229 /nfs/dbraw/zinc/46/62/29/854466229.db2.gz CAHPMKADFXJYRO-HUUCEWRRSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC)[NH+](C)C ZINC001212461240 854489129 /nfs/dbraw/zinc/48/91/29/854489129.db2.gz STPRLWSOTANZFP-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC)[NH+](C)C ZINC001212461240 854489137 /nfs/dbraw/zinc/48/91/37/854489137.db2.gz STPRLWSOTANZFP-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001212509474 854506570 /nfs/dbraw/zinc/50/65/70/854506570.db2.gz CBMGZFPZBHHAHN-ZIAGYGMSSA-N 2 2 361.433 0.712 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001212509474 854506576 /nfs/dbraw/zinc/50/65/76/854506576.db2.gz CBMGZFPZBHHAHN-ZIAGYGMSSA-N 2 2 361.433 0.712 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213166317 854519796 /nfs/dbraw/zinc/51/97/96/854519796.db2.gz OWZIRTPVZWVRNC-IAGOWNOFSA-N 2 2 350.463 0.824 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213166317 854519803 /nfs/dbraw/zinc/51/98/03/854519803.db2.gz OWZIRTPVZWVRNC-IAGOWNOFSA-N 2 2 350.463 0.824 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213939 854535940 /nfs/dbraw/zinc/53/59/40/854535940.db2.gz UTIKAWNTKBGRPC-RRFJBIMHSA-N 2 2 354.495 0.188 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213939 854535942 /nfs/dbraw/zinc/53/59/42/854535942.db2.gz UTIKAWNTKBGRPC-RRFJBIMHSA-N 2 2 354.495 0.188 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374728 854594015 /nfs/dbraw/zinc/59/40/15/854594015.db2.gz UYNYVDRPUQYZGJ-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374728 854594019 /nfs/dbraw/zinc/59/40/19/854594019.db2.gz UYNYVDRPUQYZGJ-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213434877 854614680 /nfs/dbraw/zinc/61/46/80/854614680.db2.gz OAHIVIHLESPTRO-IXDOHACOSA-N 2 2 351.495 0.856 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213434877 854614683 /nfs/dbraw/zinc/61/46/83/854614683.db2.gz OAHIVIHLESPTRO-IXDOHACOSA-N 2 2 351.495 0.856 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578635 854672965 /nfs/dbraw/zinc/67/29/65/854672965.db2.gz VLZJSYFCNCSHOE-QLFBSQMISA-N 2 2 351.451 0.051 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578635 854672974 /nfs/dbraw/zinc/67/29/74/854672974.db2.gz VLZJSYFCNCSHOE-QLFBSQMISA-N 2 2 351.451 0.051 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213599184 854680596 /nfs/dbraw/zinc/68/05/96/854680596.db2.gz WAXCQYHAEYJERO-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213599184 854680603 /nfs/dbraw/zinc/68/06/03/854680603.db2.gz WAXCQYHAEYJERO-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747498 854748874 /nfs/dbraw/zinc/74/88/74/854748874.db2.gz KTGATEQAIODQSR-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747498 854748875 /nfs/dbraw/zinc/74/88/75/854748875.db2.gz KTGATEQAIODQSR-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@H]1OC ZINC001213763434 854757470 /nfs/dbraw/zinc/75/74/70/854757470.db2.gz QQTOFPNNBTWWHH-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@H]1OC ZINC001213763434 854757472 /nfs/dbraw/zinc/75/74/72/854757472.db2.gz QQTOFPNNBTWWHH-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1OC ZINC001213763434 854757475 /nfs/dbraw/zinc/75/74/75/854757475.db2.gz QQTOFPNNBTWWHH-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1OC ZINC001213763434 854757479 /nfs/dbraw/zinc/75/74/79/854757479.db2.gz QQTOFPNNBTWWHH-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1)C1CC1 ZINC001213929622 854830356 /nfs/dbraw/zinc/83/03/56/854830356.db2.gz DYHDLHZLUPKODE-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1)C1CC1 ZINC001213929622 854830360 /nfs/dbraw/zinc/83/03/60/854830360.db2.gz DYHDLHZLUPKODE-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1)C1CC1 ZINC001213929622 854830364 /nfs/dbraw/zinc/83/03/64/854830364.db2.gz DYHDLHZLUPKODE-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1)C1CC1 ZINC001213929622 854830370 /nfs/dbraw/zinc/83/03/70/854830370.db2.gz DYHDLHZLUPKODE-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531157 854964118 /nfs/dbraw/zinc/96/41/18/854964118.db2.gz QOYQSMYFSGQBII-BZUAXINKSA-N 2 2 352.479 0.812 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214530908 854964424 /nfs/dbraw/zinc/96/44/24/854964424.db2.gz JBVTXRNWJADWSI-GHMZBOCLSA-N 2 2 361.368 0.457 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001214530804 854964480 /nfs/dbraw/zinc/96/44/80/854964480.db2.gz FKKQXRCQMUDBKX-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)n1cc[nH+]c1 ZINC001214916943 855033245 /nfs/dbraw/zinc/03/32/45/855033245.db2.gz LCKSPCODTURYTL-BZUAXINKSA-N 2 2 370.519 0.951 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214988062 855048630 /nfs/dbraw/zinc/04/86/30/855048630.db2.gz HZKODBWHXIPYHG-IIAWOOMASA-N 2 2 368.503 0.317 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215006172 855051144 /nfs/dbraw/zinc/05/11/44/855051144.db2.gz UOTJIZZCWLMCST-IIAWOOMASA-N 2 2 368.503 0.317 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001215226971 855085312 /nfs/dbraw/zinc/08/53/12/855085312.db2.gz WIHAJFUSGTYZGU-NXHRZFHOSA-N 2 2 353.507 0.960 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001215226971 855085318 /nfs/dbraw/zinc/08/53/18/855085318.db2.gz WIHAJFUSGTYZGU-NXHRZFHOSA-N 2 2 353.507 0.960 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001215585502 855129628 /nfs/dbraw/zinc/12/96/28/855129628.db2.gz KEQSFBCFBSTKIB-KLHDSHLOSA-N 2 2 350.463 0.623 20 0 FCADLP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)[NH+]1CCCC1 ZINC001215598510 855131452 /nfs/dbraw/zinc/13/14/52/855131452.db2.gz CLHNKBZIWUJCTR-IIAWOOMASA-N 2 2 367.519 0.976 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1nccs1 ZINC001217000268 855273975 /nfs/dbraw/zinc/27/39/75/855273975.db2.gz HRMDTAQCGYUUCP-FRRDWIJNSA-N 2 2 362.459 0.803 20 0 FCADLP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)s1 ZINC001217001782 855275043 /nfs/dbraw/zinc/27/50/43/855275043.db2.gz XURKGZZLQGZHAD-ZYHUDNBSSA-N 2 2 363.447 0.118 20 0 FCADLP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217596325 855352761 /nfs/dbraw/zinc/35/27/61/855352761.db2.gz WOMNKDSPNCCSRN-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217596325 855352765 /nfs/dbraw/zinc/35/27/65/855352765.db2.gz WOMNKDSPNCCSRN-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP COCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217596325 855352772 /nfs/dbraw/zinc/35/27/72/855352772.db2.gz WOMNKDSPNCCSRN-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP COCCCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217596325 855352781 /nfs/dbraw/zinc/35/27/81/855352781.db2.gz WOMNKDSPNCCSRN-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]21)[NH+](C)C ZINC001218162023 855401953 /nfs/dbraw/zinc/40/19/53/855401953.db2.gz LRVHSOPBQBEGCK-HZSPNIEDSA-N 2 2 367.412 0.817 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]21)[NH+](C)C ZINC001218162023 855401959 /nfs/dbraw/zinc/40/19/59/855401959.db2.gz LRVHSOPBQBEGCK-HZSPNIEDSA-N 2 2 367.412 0.817 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218558034 855439767 /nfs/dbraw/zinc/43/97/67/855439767.db2.gz QYHSUIHTAJRDEN-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218558034 855439769 /nfs/dbraw/zinc/43/97/69/855439769.db2.gz QYHSUIHTAJRDEN-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600046 855446484 /nfs/dbraw/zinc/44/64/84/855446484.db2.gz GUCRUBWQXDCPMG-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600046 855446488 /nfs/dbraw/zinc/44/64/88/855446488.db2.gz GUCRUBWQXDCPMG-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001218624048 855452679 /nfs/dbraw/zinc/45/26/79/855452679.db2.gz LEAPNSLRHLBEBS-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001218624048 855452681 /nfs/dbraw/zinc/45/26/81/855452681.db2.gz LEAPNSLRHLBEBS-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001218624048 855452684 /nfs/dbraw/zinc/45/26/84/855452684.db2.gz LEAPNSLRHLBEBS-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001218624048 855452688 /nfs/dbraw/zinc/45/26/88/855452688.db2.gz LEAPNSLRHLBEBS-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]21 ZINC001219010436 855512058 /nfs/dbraw/zinc/51/20/58/855512058.db2.gz RECZEAKEZKNWLK-DLBZAZTESA-N 2 2 350.463 0.987 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCCOC(C)C)C[C@@H]21 ZINC001219010436 855512060 /nfs/dbraw/zinc/51/20/60/855512060.db2.gz RECZEAKEZKNWLK-DLBZAZTESA-N 2 2 350.463 0.987 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219031952 855519470 /nfs/dbraw/zinc/51/94/70/855519470.db2.gz KHFMLMAWNPHURC-MELADBBJSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219031952 855519471 /nfs/dbraw/zinc/51/94/71/855519471.db2.gz KHFMLMAWNPHURC-MELADBBJSA-N 2 2 365.396 0.307 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054544 855528306 /nfs/dbraw/zinc/52/83/06/855528306.db2.gz GEEVLWLWLPSJPQ-OWCLPIDISA-N 2 2 354.495 0.282 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054544 855528314 /nfs/dbraw/zinc/52/83/14/855528314.db2.gz GEEVLWLWLPSJPQ-OWCLPIDISA-N 2 2 354.495 0.282 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054544 855528322 /nfs/dbraw/zinc/52/83/22/855528322.db2.gz GEEVLWLWLPSJPQ-OWCLPIDISA-N 2 2 354.495 0.282 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054544 855528329 /nfs/dbraw/zinc/52/83/29/855528329.db2.gz GEEVLWLWLPSJPQ-OWCLPIDISA-N 2 2 354.495 0.282 20 0 FCADLP COc1ccc(Br)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1C(N)=O ZINC001219078242 855539409 /nfs/dbraw/zinc/53/94/09/855539409.db2.gz CHDRYWMJHGRMCE-XPUUQOCRSA-N 2 2 357.208 0.042 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092669 855544443 /nfs/dbraw/zinc/54/44/43/855544443.db2.gz PXDFDVYMWXVYBL-HNNXBMFYSA-N 2 2 366.443 0.085 20 0 FCADLP CCc1cc(S(C)(=O)=O)ccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219175032 855573000 /nfs/dbraw/zinc/57/30/00/855573000.db2.gz UQHFQQKJAXKBCF-AWEZNQCLSA-N 2 2 350.444 0.895 20 0 FCADLP COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(NC(C)=O)cc1OC ZINC001219225755 855591477 /nfs/dbraw/zinc/59/14/77/855591477.db2.gz KJYQPZZGMYBLCD-ZANVPECISA-N 2 2 350.375 0.068 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001219652223 855756119 /nfs/dbraw/zinc/75/61/19/855756119.db2.gz JBRPWAGHIQQBAV-MCIONIFRSA-N 2 2 365.396 0.068 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001219652223 855756125 /nfs/dbraw/zinc/75/61/25/855756125.db2.gz JBRPWAGHIQQBAV-MCIONIFRSA-N 2 2 365.396 0.068 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)o1 ZINC001219829941 855835138 /nfs/dbraw/zinc/83/51/38/855835138.db2.gz JCVFBEXLGSKKJV-XHSDSOJGSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)o1 ZINC001219829941 855835141 /nfs/dbraw/zinc/83/51/41/855835141.db2.gz JCVFBEXLGSKKJV-XHSDSOJGSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)o1 ZINC001219829941 855835145 /nfs/dbraw/zinc/83/51/45/855835145.db2.gz JCVFBEXLGSKKJV-XHSDSOJGSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)o1 ZINC001219829941 855835148 /nfs/dbraw/zinc/83/51/48/855835148.db2.gz JCVFBEXLGSKKJV-XHSDSOJGSA-N 2 2 350.463 0.827 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219875190 855856062 /nfs/dbraw/zinc/85/60/62/855856062.db2.gz RQZDVWITKLUHBE-OAGGEKHMSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219875190 855856068 /nfs/dbraw/zinc/85/60/68/855856068.db2.gz RQZDVWITKLUHBE-OAGGEKHMSA-N 2 2 350.463 0.482 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O)[NH+](C)C ZINC001219875279 855856456 /nfs/dbraw/zinc/85/64/56/855856456.db2.gz XRDIJPHPWJIJRZ-VQHPVUNQSA-N 2 2 369.893 0.875 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O)[NH+](C)C ZINC001219875279 855856466 /nfs/dbraw/zinc/85/64/66/855856466.db2.gz XRDIJPHPWJIJRZ-VQHPVUNQSA-N 2 2 369.893 0.875 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219896708 855869462 /nfs/dbraw/zinc/86/94/62/855869462.db2.gz FTUSNDMNPAISDI-NEPJUHHUSA-N 2 2 355.401 0.457 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219896708 855869468 /nfs/dbraw/zinc/86/94/68/855869468.db2.gz FTUSNDMNPAISDI-NEPJUHHUSA-N 2 2 355.401 0.457 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219896708 855869472 /nfs/dbraw/zinc/86/94/72/855869472.db2.gz FTUSNDMNPAISDI-NEPJUHHUSA-N 2 2 355.401 0.457 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219896708 855869479 /nfs/dbraw/zinc/86/94/79/855869479.db2.gz FTUSNDMNPAISDI-NEPJUHHUSA-N 2 2 355.401 0.457 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908754 855876027 /nfs/dbraw/zinc/87/60/27/855876027.db2.gz RIRWRTFEUMNUHS-XHSDSOJGSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908754 855876031 /nfs/dbraw/zinc/87/60/31/855876031.db2.gz RIRWRTFEUMNUHS-XHSDSOJGSA-N 2 2 350.463 0.422 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCC1 ZINC001220051915 855933377 /nfs/dbraw/zinc/93/33/77/855933377.db2.gz OZRYKTSJCHVXSV-OWCLPIDISA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCC1 ZINC001220051915 855933384 /nfs/dbraw/zinc/93/33/84/855933384.db2.gz OZRYKTSJCHVXSV-OWCLPIDISA-N 2 2 350.463 0.329 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220185302 855997903 /nfs/dbraw/zinc/99/79/03/855997903.db2.gz FKWGNCBTTAKOAW-CHWSQXEVSA-N 2 2 353.417 0.495 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220342440 856075715 /nfs/dbraw/zinc/07/57/15/856075715.db2.gz BWLPCHSQBJSUAT-ZACQAIPSSA-N 2 2 351.495 0.510 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220342440 856075712 /nfs/dbraw/zinc/07/57/12/856075712.db2.gz BWLPCHSQBJSUAT-ZACQAIPSSA-N 2 2 351.495 0.510 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359723 856083884 /nfs/dbraw/zinc/08/38/84/856083884.db2.gz VZRKBENXWUYXOU-CVEARBPZSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359723 856083893 /nfs/dbraw/zinc/08/38/93/856083893.db2.gz VZRKBENXWUYXOU-CVEARBPZSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359723 856083898 /nfs/dbraw/zinc/08/38/98/856083898.db2.gz VZRKBENXWUYXOU-CVEARBPZSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359723 856083906 /nfs/dbraw/zinc/08/39/06/856083906.db2.gz VZRKBENXWUYXOU-CVEARBPZSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367268 856087235 /nfs/dbraw/zinc/08/72/35/856087235.db2.gz QQCJUFQRZXLNLG-CVEARBPZSA-N 2 2 351.495 0.368 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367268 856087243 /nfs/dbraw/zinc/08/72/43/856087243.db2.gz QQCJUFQRZXLNLG-CVEARBPZSA-N 2 2 351.495 0.368 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367268 856087249 /nfs/dbraw/zinc/08/72/49/856087249.db2.gz QQCJUFQRZXLNLG-CVEARBPZSA-N 2 2 351.495 0.368 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367268 856087254 /nfs/dbraw/zinc/08/72/54/856087254.db2.gz QQCJUFQRZXLNLG-CVEARBPZSA-N 2 2 351.495 0.368 20 0 FCADLP CC(C)([NH3+])CN(C(=O)C[NH2+]C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535384 856171167 /nfs/dbraw/zinc/17/11/67/856171167.db2.gz ACWGKPULZXOKOJ-UHFFFAOYSA-N 3 2 368.503 0.283 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220548141 856180353 /nfs/dbraw/zinc/18/03/53/856180353.db2.gz YPJKSVSUBSDNHZ-KGLIPLIRSA-N 2 2 360.405 0.415 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220548141 856180356 /nfs/dbraw/zinc/18/03/56/856180356.db2.gz YPJKSVSUBSDNHZ-KGLIPLIRSA-N 2 2 360.405 0.415 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220565312 856187215 /nfs/dbraw/zinc/18/72/15/856187215.db2.gz PRTZOTMLILIDKK-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220565312 856187220 /nfs/dbraw/zinc/18/72/20/856187220.db2.gz PRTZOTMLILIDKK-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220565312 856187226 /nfs/dbraw/zinc/18/72/26/856187226.db2.gz PRTZOTMLILIDKK-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001220565312 856187231 /nfs/dbraw/zinc/18/72/31/856187231.db2.gz PRTZOTMLILIDKK-SJORKVTESA-N 2 2 351.495 0.594 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC)C[C@@H]1O ZINC001220740773 856273896 /nfs/dbraw/zinc/27/38/96/856273896.db2.gz RCENZCRWDBBMDG-CVEARBPZSA-N 2 2 356.511 0.186 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC)C[C@@H]1O ZINC001220740773 856273904 /nfs/dbraw/zinc/27/39/04/856273904.db2.gz RCENZCRWDBBMDG-CVEARBPZSA-N 2 2 356.511 0.186 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001220826220 856328019 /nfs/dbraw/zinc/32/80/19/856328019.db2.gz SMLCQOJIJAXYQA-CABCVRRESA-N 2 2 357.886 0.430 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001220826220 856328023 /nfs/dbraw/zinc/32/80/23/856328023.db2.gz SMLCQOJIJAXYQA-CABCVRRESA-N 2 2 357.886 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001220826220 856328027 /nfs/dbraw/zinc/32/80/27/856328027.db2.gz SMLCQOJIJAXYQA-CABCVRRESA-N 2 2 357.886 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001220826220 856328031 /nfs/dbraw/zinc/32/80/31/856328031.db2.gz SMLCQOJIJAXYQA-CABCVRRESA-N 2 2 357.886 0.430 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220888641 856359775 /nfs/dbraw/zinc/35/97/75/856359775.db2.gz RSHQDAPISWKFSC-OAGGEKHMSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220888641 856359786 /nfs/dbraw/zinc/35/97/86/856359786.db2.gz RSHQDAPISWKFSC-OAGGEKHMSA-N 2 2 350.463 0.329 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)C[NH2+]CCC[NH3+])CC2)c1 ZINC001220911135 856370205 /nfs/dbraw/zinc/37/02/05/856370205.db2.gz HSKLRGJMFUDHHT-UHFFFAOYSA-N 3 2 352.454 0.853 20 0 FCADLP COCCOc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1C(F)(F)F ZINC001220949296 856389207 /nfs/dbraw/zinc/38/92/07/856389207.db2.gz YDPIDCMYRNXREC-AAEUAGOBSA-N 2 2 361.364 0.894 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221357028 856555052 /nfs/dbraw/zinc/55/50/52/856555052.db2.gz FTQJEBZNAZZPQD-LSDHHAIUSA-N 2 2 356.511 0.339 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446517 856569998 /nfs/dbraw/zinc/56/99/98/856569998.db2.gz LQCJFCNXHWZTCY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446517 856570003 /nfs/dbraw/zinc/57/00/03/856570003.db2.gz LQCJFCNXHWZTCY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221446517 856570009 /nfs/dbraw/zinc/57/00/09/856570009.db2.gz LQCJFCNXHWZTCY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221446517 856570012 /nfs/dbraw/zinc/57/00/12/856570012.db2.gz LQCJFCNXHWZTCY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CC1 ZINC001221616379 856625241 /nfs/dbraw/zinc/62/52/41/856625241.db2.gz MFWJPGLFKNHAOQ-BFYDXBDKSA-N 2 2 350.507 0.774 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CC1 ZINC001221616379 856625246 /nfs/dbraw/zinc/62/52/46/856625246.db2.gz MFWJPGLFKNHAOQ-BFYDXBDKSA-N 2 2 350.507 0.774 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616516 856625529 /nfs/dbraw/zinc/62/55/29/856625529.db2.gz OBRWLCKSGYPAQQ-JFIYKMOQSA-N 2 2 350.507 0.776 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616516 856625533 /nfs/dbraw/zinc/62/55/33/856625533.db2.gz OBRWLCKSGYPAQQ-JFIYKMOQSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616937 856625863 /nfs/dbraw/zinc/62/58/63/856625863.db2.gz WUUDEWDJFNRPII-HZPDHXFCSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616937 856625867 /nfs/dbraw/zinc/62/58/67/856625867.db2.gz WUUDEWDJFNRPII-HZPDHXFCSA-N 2 2 350.507 0.870 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627081 856628406 /nfs/dbraw/zinc/62/84/06/856628406.db2.gz DNVCRNWKUXOSHQ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627081 856628412 /nfs/dbraw/zinc/62/84/12/856628412.db2.gz DNVCRNWKUXOSHQ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627081 856628421 /nfs/dbraw/zinc/62/84/21/856628421.db2.gz DNVCRNWKUXOSHQ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627081 856628430 /nfs/dbraw/zinc/62/84/30/856628430.db2.gz DNVCRNWKUXOSHQ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221705178 856658902 /nfs/dbraw/zinc/65/89/02/856658902.db2.gz QBTKZXGXMJQUHV-HZPDHXFCSA-N 2 2 350.463 0.548 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001221705178 856658904 /nfs/dbraw/zinc/65/89/04/856658904.db2.gz QBTKZXGXMJQUHV-HZPDHXFCSA-N 2 2 350.463 0.548 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815124 856695202 /nfs/dbraw/zinc/69/52/02/856695202.db2.gz VLKZXKIXJMTCRH-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815124 856695208 /nfs/dbraw/zinc/69/52/08/856695208.db2.gz VLKZXKIXJMTCRH-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815124 856695214 /nfs/dbraw/zinc/69/52/14/856695214.db2.gz VLKZXKIXJMTCRH-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815124 856695217 /nfs/dbraw/zinc/69/52/17/856695217.db2.gz VLKZXKIXJMTCRH-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813295 856695543 /nfs/dbraw/zinc/69/55/43/856695543.db2.gz FBNUMISZQGSDTE-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813295 856695545 /nfs/dbraw/zinc/69/55/45/856695545.db2.gz FBNUMISZQGSDTE-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813295 856695552 /nfs/dbraw/zinc/69/55/52/856695552.db2.gz FBNUMISZQGSDTE-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813295 856695554 /nfs/dbraw/zinc/69/55/54/856695554.db2.gz FBNUMISZQGSDTE-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222018284 856769680 /nfs/dbraw/zinc/76/96/80/856769680.db2.gz VQGVZQMRSVVRAC-FVQBIDKESA-N 2 2 368.503 0.405 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222018284 856769690 /nfs/dbraw/zinc/76/96/90/856769690.db2.gz VQGVZQMRSVVRAC-FVQBIDKESA-N 2 2 368.503 0.405 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053512 856788033 /nfs/dbraw/zinc/78/80/33/856788033.db2.gz UDPSJDKAJYKXBH-BZUAXINKSA-N 2 2 359.536 0.540 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053512 856788037 /nfs/dbraw/zinc/78/80/37/856788037.db2.gz UDPSJDKAJYKXBH-BZUAXINKSA-N 2 2 359.536 0.540 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053512 856788050 /nfs/dbraw/zinc/78/80/50/856788050.db2.gz UDPSJDKAJYKXBH-BZUAXINKSA-N 2 2 359.536 0.540 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222053512 856788060 /nfs/dbraw/zinc/78/80/60/856788060.db2.gz UDPSJDKAJYKXBH-BZUAXINKSA-N 2 2 359.536 0.540 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001222052942 856788508 /nfs/dbraw/zinc/78/85/08/856788508.db2.gz BLYDFGHACXNWIT-IAGOWNOFSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001222052942 856788512 /nfs/dbraw/zinc/78/85/12/856788512.db2.gz BLYDFGHACXNWIT-IAGOWNOFSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001222052942 856788515 /nfs/dbraw/zinc/78/85/15/856788515.db2.gz BLYDFGHACXNWIT-IAGOWNOFSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001222052942 856788526 /nfs/dbraw/zinc/78/85/26/856788526.db2.gz BLYDFGHACXNWIT-IAGOWNOFSA-N 2 2 371.547 0.684 20 0 FCADLP Cc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916289 856951281 /nfs/dbraw/zinc/95/12/81/856951281.db2.gz DZPHISIBFLAXLY-CABCVRRESA-N 2 2 351.451 0.379 20 0 FCADLP Cc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916289 856951285 /nfs/dbraw/zinc/95/12/85/856951285.db2.gz DZPHISIBFLAXLY-CABCVRRESA-N 2 2 351.451 0.379 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)CS(C)(=O)=O ZINC001224306473 856977551 /nfs/dbraw/zinc/97/75/51/856977551.db2.gz KHHNTXHTLBDXPY-XHSDSOJGSA-N 2 2 368.503 0.487 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)CS(C)(=O)=O ZINC001224306473 856977560 /nfs/dbraw/zinc/97/75/60/856977560.db2.gz KHHNTXHTLBDXPY-XHSDSOJGSA-N 2 2 368.503 0.487 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226886202 857129631 /nfs/dbraw/zinc/12/96/31/857129631.db2.gz UPUNYQKONXXWHQ-AAVRWANBSA-N 2 2 354.476 0.575 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226886202 857129640 /nfs/dbraw/zinc/12/96/40/857129640.db2.gz UPUNYQKONXXWHQ-AAVRWANBSA-N 2 2 354.476 0.575 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227164454 857146567 /nfs/dbraw/zinc/14/65/67/857146567.db2.gz BXAOWENYHUQDSV-RRFJBIMHSA-N 2 2 368.503 0.507 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001227175359 857147980 /nfs/dbraw/zinc/14/79/80/857147980.db2.gz JCHHPQUOIJAUNZ-ARFHVFGLSA-N 2 2 350.463 0.471 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211141 857148843 /nfs/dbraw/zinc/14/88/43/857148843.db2.gz APOSBKVUQQRVKT-ZIAGYGMSSA-N 2 2 351.451 0.503 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NC(C)(C)C)CC2)O1 ZINC001227954785 857186220 /nfs/dbraw/zinc/18/62/20/857186220.db2.gz YHHTWQQQCMKKDS-UKRRQHHQSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NC(C)(C)C)CC2)O1 ZINC001227954785 857186225 /nfs/dbraw/zinc/18/62/25/857186225.db2.gz YHHTWQQQCMKKDS-UKRRQHHQSA-N 2 2 354.495 0.201 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228528282 857214294 /nfs/dbraw/zinc/21/42/94/857214294.db2.gz ADIXRQWRTSIVTA-MGPQQGTHSA-N 2 2 368.503 0.891 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001228623564 857219779 /nfs/dbraw/zinc/21/97/79/857219779.db2.gz DCQDFRKDLAQSNW-ZIAGYGMSSA-N 2 2 351.499 0.705 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC001228623564 857219787 /nfs/dbraw/zinc/21/97/87/857219787.db2.gz DCQDFRKDLAQSNW-ZIAGYGMSSA-N 2 2 351.499 0.705 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228799873 857229986 /nfs/dbraw/zinc/22/99/86/857229986.db2.gz AKTWXAVGVPMOHQ-HUUCEWRRSA-N 2 2 350.467 0.677 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)n1cc[nH+]c1 ZINC001228836012 857232049 /nfs/dbraw/zinc/23/20/49/857232049.db2.gz MDNYBBRNDWGEKY-RRFJBIMHSA-N 2 2 371.507 0.400 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229301405 857264389 /nfs/dbraw/zinc/26/43/89/857264389.db2.gz PPDGOZGTRFHRQC-ZIAGYGMSSA-N 2 2 350.467 0.677 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229694105 857282832 /nfs/dbraw/zinc/28/28/32/857282832.db2.gz ZTSOEZJJCYQNEL-HZPDHXFCSA-N 2 2 370.519 0.804 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001230019265 857298469 /nfs/dbraw/zinc/29/84/69/857298469.db2.gz RSQNEVHRBBXQHY-HUUCEWRRSA-N 2 2 356.492 0.414 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001230280370 857322303 /nfs/dbraw/zinc/32/23/03/857322303.db2.gz VRORIHSTDGNKHT-ZIAGYGMSSA-N 2 2 352.483 0.993 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001230280370 857322311 /nfs/dbraw/zinc/32/23/11/857322311.db2.gz VRORIHSTDGNKHT-ZIAGYGMSSA-N 2 2 352.483 0.993 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352468 857329324 /nfs/dbraw/zinc/32/93/24/857329324.db2.gz AYYQOGTYOKRPSH-HUUCEWRRSA-N 2 2 371.507 0.182 20 0 FCADLP Cn1nnc2c1CC[N@H+](CCCCCO)[C@H]2COCC[NH+]1CCCC1 ZINC001235517902 857426182 /nfs/dbraw/zinc/42/61/82/857426182.db2.gz HXOFQPDWQNDIPC-KRWDZBQOSA-N 2 2 351.495 0.989 20 0 FCADLP Cn1nnc2c1CC[N@@H+](CCCCCO)[C@H]2COCC[NH+]1CCCC1 ZINC001235517902 857426188 /nfs/dbraw/zinc/42/61/88/857426188.db2.gz HXOFQPDWQNDIPC-KRWDZBQOSA-N 2 2 351.495 0.989 20 0 FCADLP COC(=O)CC[N@H+](CCC[NH+](C)C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235662106 857430956 /nfs/dbraw/zinc/43/09/56/857430956.db2.gz FKDDYXBZDXQZEU-UKMLZYKCSA-N 2 2 360.451 0.041 20 0 FCADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235662106 857430962 /nfs/dbraw/zinc/43/09/62/857430962.db2.gz FKDDYXBZDXQZEU-UKMLZYKCSA-N 2 2 360.451 0.041 20 0 FCADLP COc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])c(Br)c1 ZINC001238840141 857483956 /nfs/dbraw/zinc/48/39/56/857483956.db2.gz ZYERAAVTAQAEAW-UHFFFAOYSA-N 2 2 352.254 0.284 20 0 FCADLP COc1ccc(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)cc1OC ZINC001239286978 857525436 /nfs/dbraw/zinc/52/54/36/857525436.db2.gz REQFQGQDBZSGFK-UHFFFAOYSA-N 2 2 351.451 0.320 20 0 FCADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001245984901 857562659 /nfs/dbraw/zinc/56/26/59/857562659.db2.gz KDWTYIOYOUPVKE-KOHRHEQBSA-N 3 2 353.507 0.935 20 0 FCADLP O=C([C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246138523 857568786 /nfs/dbraw/zinc/56/87/86/857568786.db2.gz JJVSPFAMVDNIPN-OAGGEKHMSA-N 3 2 368.547 0.388 20 0 FCADLP O=C([C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246138525 857568947 /nfs/dbraw/zinc/56/89/47/857568947.db2.gz JJVSPFAMVDNIPN-PMPSAXMXSA-N 3 2 368.547 0.388 20 0 FCADLP COCCC1(C[NH2+][C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246367791 857576186 /nfs/dbraw/zinc/57/61/86/857576186.db2.gz CMQGOMXSTHEDPX-GJZGRUSLSA-N 3 2 356.536 0.246 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751425 857598765 /nfs/dbraw/zinc/59/87/65/857598765.db2.gz PIGFBOIPNIBTBK-IAGOWNOFSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751425 857598773 /nfs/dbraw/zinc/59/87/73/857598773.db2.gz PIGFBOIPNIBTBK-IAGOWNOFSA-N 3 2 352.523 0.630 20 0 FCADLP CC(C)C(=O)N1CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001246758993 857598932 /nfs/dbraw/zinc/59/89/32/857598932.db2.gz ISOWYHHXSWPPRW-MDZRGWNJSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)C(=O)N1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001246758993 857598937 /nfs/dbraw/zinc/59/89/37/857598937.db2.gz ISOWYHHXSWPPRW-MDZRGWNJSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCN(c2ccc(NC[C@H](O)C[NH+]3CCOCC3)cc2F)CC1 ZINC001251028171 857685677 /nfs/dbraw/zinc/68/56/77/857685677.db2.gz YGWBKALPUGJRAE-INIZCTEOSA-N 2 2 352.454 0.683 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001253184614 857869263 /nfs/dbraw/zinc/86/92/63/857869263.db2.gz HGMHSAGGEKEEOY-XLAORIBOSA-N 2 2 353.507 0.695 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001253184614 857869268 /nfs/dbraw/zinc/86/92/68/857869268.db2.gz HGMHSAGGEKEEOY-XLAORIBOSA-N 2 2 353.507 0.695 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001253184270 857869284 /nfs/dbraw/zinc/86/92/84/857869284.db2.gz CXEMSAXDKGQDIW-XYJFISCASA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001253184270 857869290 /nfs/dbraw/zinc/86/92/90/857869290.db2.gz CXEMSAXDKGQDIW-XYJFISCASA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001253186423 857870606 /nfs/dbraw/zinc/87/06/06/857870606.db2.gz OQBFCYSXJXBKDL-DLBZAZTESA-N 2 2 353.507 0.650 20 0 FCADLP COc1cncc(OC)c1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001279612086 862977759 /nfs/dbraw/zinc/97/77/59/862977759.db2.gz IGUHXPHABWWVQE-QAPCUYQASA-N 2 2 350.463 0.545 20 0 FCADLP COc1cncc(OC)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001279612086 862977770 /nfs/dbraw/zinc/97/77/70/862977770.db2.gz IGUHXPHABWWVQE-QAPCUYQASA-N 2 2 350.463 0.545 20 0 FCADLP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC001256377229 858073403 /nfs/dbraw/zinc/07/34/03/858073403.db2.gz OYXDKZHOGORGRF-UHFFFAOYSA-N 2 2 361.508 0.882 20 0 FCADLP CN(C)S(=O)(=O)N1CCC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279617170 862981686 /nfs/dbraw/zinc/98/16/86/862981686.db2.gz RYPWJNRYRWSUFW-QGZVFWFLSA-N 2 2 367.519 0.979 20 0 FCADLP CN(C)S(=O)(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279617170 862981694 /nfs/dbraw/zinc/98/16/94/862981694.db2.gz RYPWJNRYRWSUFW-QGZVFWFLSA-N 2 2 367.519 0.979 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@H](CC[NH3+])C2)([NH+]2CCOCC2)C1 ZINC001262581016 859007978 /nfs/dbraw/zinc/00/79/78/859007978.db2.gz GHYUGPIHKZDQJM-HJOIGYKYSA-N 2 2 354.495 0.637 20 0 FCADLP CN1CCC([NH+]2CCC(NC(=O)C[NH+]3CCC(CO)CC3)CC2)CC1 ZINC001262605900 859017328 /nfs/dbraw/zinc/01/73/28/859017328.db2.gz SBSNZKFISJXEMI-UHFFFAOYSA-N 2 2 352.523 0.366 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[NH+]3CCC(CO)CC3)CC2)CC1 ZINC001262605900 859017336 /nfs/dbraw/zinc/01/73/36/859017336.db2.gz SBSNZKFISJXEMI-UHFFFAOYSA-N 3 2 352.523 0.366 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)CC1 ZINC001274371017 860739083 /nfs/dbraw/zinc/73/90/83/860739083.db2.gz UFEBJOTYOJSMRO-MSOLQXFVSA-N 2 2 350.507 0.478 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)CC1 ZINC001274371017 860739087 /nfs/dbraw/zinc/73/90/87/860739087.db2.gz UFEBJOTYOJSMRO-MSOLQXFVSA-N 2 2 350.507 0.478 20 0 FCADLP CC[C@H](C)C[NH+]1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275068469 860926943 /nfs/dbraw/zinc/92/69/43/860926943.db2.gz HPFQTNICNNRKSE-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CSCCC[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275104162 860934752 /nfs/dbraw/zinc/93/47/52/860934752.db2.gz UDHQLRHERZVXNJ-UHFFFAOYSA-N 2 2 370.563 0.290 20 0 FCADLP CSCCC[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275104162 860934765 /nfs/dbraw/zinc/93/47/65/860934765.db2.gz UDHQLRHERZVXNJ-UHFFFAOYSA-N 2 2 370.563 0.290 20 0 FCADLP C[C@@H]1C[C@H]1C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275324341 861033005 /nfs/dbraw/zinc/03/30/05/861033005.db2.gz GBGQLCDOKXBHME-SJORKVTESA-N 2 2 350.507 0.193 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccncc1F)C2 ZINC001275392810 861070303 /nfs/dbraw/zinc/07/03/03/861070303.db2.gz RNJLUIZCNQXARS-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccncc1F)C2 ZINC001275392810 861070321 /nfs/dbraw/zinc/07/03/21/861070321.db2.gz RNJLUIZCNQXARS-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP CCn1ccnc1C[N@@H+]1CCC2(CN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001279976160 863163399 /nfs/dbraw/zinc/16/33/99/863163399.db2.gz YEOOCWGLWPJFNQ-UHFFFAOYSA-N 2 2 350.536 0.847 20 0 FCADLP CCn1ccnc1C[N@H+]1CCC2(CN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001279976160 863163402 /nfs/dbraw/zinc/16/34/02/863163402.db2.gz YEOOCWGLWPJFNQ-UHFFFAOYSA-N 2 2 350.536 0.847 20 0 FCADLP COCOCCC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001280089562 863257149 /nfs/dbraw/zinc/25/71/49/863257149.db2.gz CSUCWUZOYPJDKA-MRXNPFEDSA-N 2 2 355.479 0.441 20 0 FCADLP Cn1nnnc1NC(=O)[C@H]1CCSC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001280257971 863364499 /nfs/dbraw/zinc/36/44/99/863364499.db2.gz YONAUPWUVRAWCP-CHWSQXEVSA-N 2 2 365.507 0.298 20 0 FCADLP Cn1nnnc1NC(=O)[C@H]1CCSC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280257971 863364510 /nfs/dbraw/zinc/36/45/10/863364510.db2.gz YONAUPWUVRAWCP-CHWSQXEVSA-N 2 2 365.507 0.298 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC001280302487 863395569 /nfs/dbraw/zinc/39/55/69/863395569.db2.gz KZHHRWHYFNDLOK-UHFFFAOYSA-N 2 2 354.495 0.762 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC001280302487 863395584 /nfs/dbraw/zinc/39/55/84/863395584.db2.gz KZHHRWHYFNDLOK-UHFFFAOYSA-N 2 2 354.495 0.762 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001292959440 865764415 /nfs/dbraw/zinc/76/44/15/865764415.db2.gz WZLUXLMWCCKAQT-KURKYZTESA-N 2 2 354.539 0.876 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001292959440 865764418 /nfs/dbraw/zinc/76/44/18/865764418.db2.gz WZLUXLMWCCKAQT-KURKYZTESA-N 2 2 354.539 0.876 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001304089622 866499292 /nfs/dbraw/zinc/49/92/92/866499292.db2.gz DMBMNDOYYPPCNS-LSDHHAIUSA-N 2 2 366.487 0.828 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001304089622 866499296 /nfs/dbraw/zinc/49/92/96/866499296.db2.gz DMBMNDOYYPPCNS-LSDHHAIUSA-N 2 2 366.487 0.828 20 0 FCADLP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2C)CC1 ZINC001351240220 866819077 /nfs/dbraw/zinc/81/90/77/866819077.db2.gz DALUEHBRWFTXDF-HNNXBMFYSA-N 2 2 352.483 0.365 20 0 FCADLP COCC[NH+]1CCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2C)CC1 ZINC001351240220 866819091 /nfs/dbraw/zinc/81/90/91/866819091.db2.gz DALUEHBRWFTXDF-HNNXBMFYSA-N 2 2 352.483 0.365 20 0 FCADLP C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001309505271 866820149 /nfs/dbraw/zinc/82/01/49/866820149.db2.gz DXEYBMJBXBMHOW-QGZVFWFLSA-N 2 2 366.531 0.933 20 0 FCADLP C[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001309505271 866820163 /nfs/dbraw/zinc/82/01/63/866820163.db2.gz DXEYBMJBXBMHOW-QGZVFWFLSA-N 2 2 366.531 0.933 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001353679393 867471060 /nfs/dbraw/zinc/47/10/60/867471060.db2.gz XLBIFTMYUYPFNF-ZACQAIPSSA-N 2 2 350.507 0.968 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001353679393 867471087 /nfs/dbraw/zinc/47/10/87/867471087.db2.gz XLBIFTMYUYPFNF-ZACQAIPSSA-N 2 2 350.507 0.968 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001318385206 867656109 /nfs/dbraw/zinc/65/61/09/867656109.db2.gz ZKLKUEKFYDIEAW-AWEZNQCLSA-N 2 2 372.535 0.279 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001318385206 867656123 /nfs/dbraw/zinc/65/61/23/867656123.db2.gz ZKLKUEKFYDIEAW-AWEZNQCLSA-N 2 2 372.535 0.279 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001318895078 867773581 /nfs/dbraw/zinc/77/35/81/867773581.db2.gz TXVYZMXVPKVSOX-ZFWWWQNUSA-N 2 2 360.524 0.277 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001318895078 867773589 /nfs/dbraw/zinc/77/35/89/867773589.db2.gz TXVYZMXVPKVSOX-ZFWWWQNUSA-N 2 2 360.524 0.277 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001357209254 868087839 /nfs/dbraw/zinc/08/78/39/868087839.db2.gz FWNGDRRUMJVNPK-SQNIBIBYSA-N 3 2 354.539 0.610 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357896527 868160523 /nfs/dbraw/zinc/16/05/23/868160523.db2.gz DMQGODJTMVQNNK-INIZCTEOSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357896527 868160528 /nfs/dbraw/zinc/16/05/28/868160528.db2.gz DMQGODJTMVQNNK-INIZCTEOSA-N 2 2 359.536 0.732 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001357914492 868163205 /nfs/dbraw/zinc/16/32/05/868163205.db2.gz YHCFWUGCRSDGMC-ZDUSSCGKSA-N 2 2 350.467 0.031 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001357914492 868163214 /nfs/dbraw/zinc/16/32/14/868163214.db2.gz YHCFWUGCRSDGMC-ZDUSSCGKSA-N 2 2 350.467 0.031 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CC(C)(C)C3)C2)CC1 ZINC001322780884 868943725 /nfs/dbraw/zinc/94/37/25/868943725.db2.gz NEGDSVKWFKHGCO-HNNXBMFYSA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3CC(C)(C)C3)C2)CC1 ZINC001322780884 868943732 /nfs/dbraw/zinc/94/37/32/868943732.db2.gz NEGDSVKWFKHGCO-HNNXBMFYSA-N 2 2 350.507 0.824 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001326051754 870153834 /nfs/dbraw/zinc/15/38/34/870153834.db2.gz XABGVWJPOMPJBX-JKSUJKDBSA-N 2 2 357.520 0.247 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC001326308446 870252365 /nfs/dbraw/zinc/25/23/65/870252365.db2.gz BDYZVPJMNBWVLR-UHFFFAOYSA-N 2 2 364.877 0.920 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC001326308446 870252378 /nfs/dbraw/zinc/25/23/78/870252378.db2.gz BDYZVPJMNBWVLR-UHFFFAOYSA-N 2 2 364.877 0.920 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC001326451711 870324391 /nfs/dbraw/zinc/32/43/91/870324391.db2.gz QJYQDGDOJVHMCT-CABCVRRESA-N 2 2 356.486 0.868 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC001326451711 870324401 /nfs/dbraw/zinc/32/44/01/870324401.db2.gz QJYQDGDOJVHMCT-CABCVRRESA-N 2 2 356.486 0.868 20 0 FCADLP COc1cc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)ccc1S(C)(=O)=O ZINC001327719590 871036633 /nfs/dbraw/zinc/03/66/33/871036633.db2.gz IOWITAYBHMLEIZ-SNVBAGLBSA-N 2 2 366.443 0.904 20 0 FCADLP CC[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383491 871399242 /nfs/dbraw/zinc/39/92/42/871399242.db2.gz BOPQQOAIIPZKOB-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383491 871399263 /nfs/dbraw/zinc/39/92/63/871399263.db2.gz BOPQQOAIIPZKOB-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383497 871399499 /nfs/dbraw/zinc/39/94/99/871399499.db2.gz BOPQQOAIIPZKOB-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383497 871399521 /nfs/dbraw/zinc/39/95/21/871399521.db2.gz BOPQQOAIIPZKOB-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001346438360 871841014 /nfs/dbraw/zinc/84/10/14/871841014.db2.gz VSFCMPHQLYNCTH-UHFFFAOYSA-N 2 2 351.451 0.223 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001346438360 871841035 /nfs/dbraw/zinc/84/10/35/871841035.db2.gz VSFCMPHQLYNCTH-UHFFFAOYSA-N 2 2 351.451 0.223 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001347102573 872159829 /nfs/dbraw/zinc/15/98/29/872159829.db2.gz QENGMRBIGFAUJK-GVDBMIGSSA-N 2 2 353.511 0.127 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001331608198 873161760 /nfs/dbraw/zinc/16/17/60/873161760.db2.gz YIWVVZWTNLOZRH-JSGCOSHPSA-N 2 2 357.524 0.061 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001331608198 873161766 /nfs/dbraw/zinc/16/17/66/873161766.db2.gz YIWVVZWTNLOZRH-JSGCOSHPSA-N 2 2 357.524 0.061 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@H](CF)C3)CC2)CC1 ZINC001331665698 873186979 /nfs/dbraw/zinc/18/69/79/873186979.db2.gz KLBCABXUDALJNQ-CQSZACIVSA-N 2 2 354.470 0.479 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001332839066 873681888 /nfs/dbraw/zinc/68/18/88/873681888.db2.gz ABEQGBYUEUKYDD-OAHLLOKOSA-N 2 2 354.451 0.116 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001332839066 873681893 /nfs/dbraw/zinc/68/18/93/873681893.db2.gz ABEQGBYUEUKYDD-OAHLLOKOSA-N 2 2 354.451 0.116 20 0 FCADLP COC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826149288 947476671 /nfs/dbraw/zinc/47/66/71/947476671.db2.gz DYAGVUHRBYWFAT-QGZVFWFLSA-N 2 2 360.462 0.818 20 0 FCADLP O=C(NCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000826437642 948293740 /nfs/dbraw/zinc/29/37/40/948293740.db2.gz VMMWARMOAIBBFA-UHFFFAOYSA-N 2 2 369.473 0.947 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432511 948936700 /nfs/dbraw/zinc/93/67/00/948936700.db2.gz LSFBAKKASFWYCT-GFCCVEGCSA-N 2 2 369.433 0.620 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574923639 948956837 /nfs/dbraw/zinc/95/68/37/948956837.db2.gz QDILKYKQRWVDOR-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574924261 948966508 /nfs/dbraw/zinc/96/65/08/948966508.db2.gz XVBCTGRFOXSLSU-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875291 949634254 /nfs/dbraw/zinc/63/42/54/949634254.db2.gz HZDZERSPNYFFBM-HIFRSBDPSA-N 2 2 370.461 0.831 20 0 FCADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286490 949982290 /nfs/dbraw/zinc/98/22/90/949982290.db2.gz XDFUSIIACOWIGI-RYUDHWBXSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286490 949982309 /nfs/dbraw/zinc/98/23/09/949982309.db2.gz XDFUSIIACOWIGI-RYUDHWBXSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574729055 950016158 /nfs/dbraw/zinc/01/61/58/950016158.db2.gz MZVXUYNBGUYWGT-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575904694 950282908 /nfs/dbraw/zinc/28/29/08/950282908.db2.gz AKCAAEDHQBLJQG-AAEUAGOBSA-N 2 2 372.458 0.904 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204604 950469972 /nfs/dbraw/zinc/46/99/72/950469972.db2.gz QNJMEYPEPDYTJM-CQSZACIVSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206643 950575350 /nfs/dbraw/zinc/57/53/50/950575350.db2.gz YMPJBLMWZRKGAB-KBPBESRZSA-N 2 2 370.461 0.546 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206643 950575368 /nfs/dbraw/zinc/57/53/68/950575368.db2.gz YMPJBLMWZRKGAB-KBPBESRZSA-N 2 2 370.461 0.546 20 0 FCADLP CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001571031005 951522122 /nfs/dbraw/zinc/52/21/22/951522122.db2.gz AHQCZCFIQDKUPY-UHFFFAOYSA-N 2 2 367.417 0.373 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571033876 951589013 /nfs/dbraw/zinc/58/90/13/951589013.db2.gz MBKMTZCTOVFICT-UHFFFAOYSA-N 2 2 367.417 0.586 20 0 FCADLP Cc1cc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039124 951650883 /nfs/dbraw/zinc/65/08/83/951650883.db2.gz YEUAVWIVFORLFM-BXUZGUMPSA-N 2 2 367.417 0.359 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575091081 951767755 /nfs/dbraw/zinc/76/77/55/951767755.db2.gz NQVGKQVXMXVYPJ-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575091973 951786643 /nfs/dbraw/zinc/78/66/43/951786643.db2.gz WWFKUHOVOKMUOU-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575103093 951873276 /nfs/dbraw/zinc/87/32/76/951873276.db2.gz RWOAALDCSXOBBR-JTQLQIEISA-N 2 2 360.447 0.831 20 0 FCADLP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571077090 952117045 /nfs/dbraw/zinc/11/70/45/952117045.db2.gz YEPREVVMXAGVOP-QWHCGFSZSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571077090 952117051 /nfs/dbraw/zinc/11/70/51/952117051.db2.gz YEPREVVMXAGVOP-QWHCGFSZSA-N 2 2 370.461 0.569 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CN1CC[NH+]1CCOCC1 ZINC000293051465 214140132 /nfs/dbraw/zinc/14/01/32/214140132.db2.gz SCOXHCPCBYPHFW-CQSZACIVSA-N 2 2 357.405 0.171 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293112950 214146917 /nfs/dbraw/zinc/14/69/17/214146917.db2.gz YPMBOZWNBJQXNM-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293112950 214146919 /nfs/dbraw/zinc/14/69/19/214146919.db2.gz YPMBOZWNBJQXNM-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293112950 214146922 /nfs/dbraw/zinc/14/69/22/214146922.db2.gz YPMBOZWNBJQXNM-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293112950 214146923 /nfs/dbraw/zinc/14/69/23/214146923.db2.gz YPMBOZWNBJQXNM-PXNSSMCTSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000265968475 210257114 /nfs/dbraw/zinc/25/71/14/210257114.db2.gz ZWJIITJKSJNWCS-FXAWDEMLSA-N 2 2 374.529 0.937 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293628494 214189024 /nfs/dbraw/zinc/18/90/24/214189024.db2.gz HKUXTDNEZDSAGN-INIZCTEOSA-N 2 2 371.441 0.904 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934708 210251943 /nfs/dbraw/zinc/25/19/43/210251943.db2.gz YWLVWAVMHRBAMX-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934708 210251946 /nfs/dbraw/zinc/25/19/46/210251946.db2.gz YWLVWAVMHRBAMX-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)[C@@H]1C ZINC000294764098 214263805 /nfs/dbraw/zinc/26/38/05/214263805.db2.gz FGCNFESWKUQGNW-YIDVYQOGSA-N 2 2 358.446 0.671 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865144 210238874 /nfs/dbraw/zinc/23/88/74/210238874.db2.gz GFHJOJCSLWSCOM-ZWKOTPCHSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865144 210238883 /nfs/dbraw/zinc/23/88/83/210238883.db2.gz GFHJOJCSLWSCOM-ZWKOTPCHSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265865144 210238886 /nfs/dbraw/zinc/23/88/86/210238886.db2.gz GFHJOJCSLWSCOM-ZWKOTPCHSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265865144 210238889 /nfs/dbraw/zinc/23/88/89/210238889.db2.gz GFHJOJCSLWSCOM-ZWKOTPCHSA-N 2 2 374.485 0.343 20 0 FCADLP COc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1OC ZINC000265861633 210238654 /nfs/dbraw/zinc/23/86/54/210238654.db2.gz MLOPIEHPUOMXMH-MRXNPFEDSA-N 2 2 363.458 0.727 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)C1 ZINC000302222954 214768054 /nfs/dbraw/zinc/76/80/54/214768054.db2.gz NFSJNSKIZNRWNN-CABCVRRESA-N 2 2 359.474 0.997 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410939673 529696867 /nfs/dbraw/zinc/69/68/67/529696867.db2.gz WAAAMFYOBONRTD-HOTGVXAUSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410939673 529696870 /nfs/dbraw/zinc/69/68/70/529696870.db2.gz WAAAMFYOBONRTD-HOTGVXAUSA-N 2 2 368.522 0.233 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000265658105 210189674 /nfs/dbraw/zinc/18/96/74/210189674.db2.gz RCTSDBDXWVBTAY-SFHVURJKSA-N 2 2 358.486 0.802 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000265658105 210189677 /nfs/dbraw/zinc/18/96/77/210189677.db2.gz RCTSDBDXWVBTAY-SFHVURJKSA-N 2 2 358.486 0.802 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(CC(C)(C)O)C1CC1 ZINC000410913109 529903180 /nfs/dbraw/zinc/90/31/80/529903180.db2.gz IAFQRBPDXAXDTA-UHFFFAOYSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(CC(C)(C)O)C1CC1 ZINC000410913109 529903181 /nfs/dbraw/zinc/90/31/81/529903181.db2.gz IAFQRBPDXAXDTA-UHFFFAOYSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410434446 529907475 /nfs/dbraw/zinc/90/74/75/529907475.db2.gz ONHKFKGBRMBQPU-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410434446 529907476 /nfs/dbraw/zinc/90/74/76/529907476.db2.gz ONHKFKGBRMBQPU-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265484269 210146029 /nfs/dbraw/zinc/14/60/29/210146029.db2.gz LQWGGNZEHLVDFE-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265484269 210146033 /nfs/dbraw/zinc/14/60/33/210146033.db2.gz LQWGGNZEHLVDFE-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265484269 210146035 /nfs/dbraw/zinc/14/60/35/210146035.db2.gz LQWGGNZEHLVDFE-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265484269 210146038 /nfs/dbraw/zinc/14/60/38/210146038.db2.gz LQWGGNZEHLVDFE-IRXDYDNUSA-N 2 2 360.506 0.787 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000265399928 210123214 /nfs/dbraw/zinc/12/32/14/210123214.db2.gz SRYSCRBNQYEFOC-UHFFFAOYSA-N 2 2 374.485 0.710 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000265399928 210123216 /nfs/dbraw/zinc/12/32/16/210123216.db2.gz SRYSCRBNQYEFOC-UHFFFAOYSA-N 2 2 374.485 0.710 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331479035 215002607 /nfs/dbraw/zinc/00/26/07/215002607.db2.gz PXTGDESNTLKPDV-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000331470869 215001290 /nfs/dbraw/zinc/00/12/90/215001290.db2.gz OSJSNQWYCRDOSF-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C)n1 ZINC000331470869 215001292 /nfs/dbraw/zinc/00/12/92/215001292.db2.gz OSJSNQWYCRDOSF-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000265357276 210105651 /nfs/dbraw/zinc/10/56/51/210105651.db2.gz CWDVNAYYRRPSKQ-KRWDZBQOSA-N 2 2 360.506 0.939 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512169 215007236 /nfs/dbraw/zinc/00/72/36/215007236.db2.gz MKMMEFXOJHNQGS-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512169 215007237 /nfs/dbraw/zinc/00/72/37/215007237.db2.gz MKMMEFXOJHNQGS-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331512169 215007238 /nfs/dbraw/zinc/00/72/38/215007238.db2.gz MKMMEFXOJHNQGS-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331512169 215007240 /nfs/dbraw/zinc/00/72/40/215007240.db2.gz MKMMEFXOJHNQGS-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587331 215020001 /nfs/dbraw/zinc/02/00/01/215020001.db2.gz NMBWTRNZSXDMTC-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587331 215020004 /nfs/dbraw/zinc/02/00/04/215020004.db2.gz NMBWTRNZSXDMTC-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000331591762 215020127 /nfs/dbraw/zinc/02/01/27/215020127.db2.gz HDPICVNWLPMUCV-IXDOHACOSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000331611994 215023300 /nfs/dbraw/zinc/02/33/00/215023300.db2.gz KCIMGJFUTFRUEK-CVEARBPZSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000331611994 215023303 /nfs/dbraw/zinc/02/33/03/215023303.db2.gz KCIMGJFUTFRUEK-CVEARBPZSA-N 2 2 351.495 0.419 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834329 215053888 /nfs/dbraw/zinc/05/38/88/215053888.db2.gz BTJIDRPIFDHEBZ-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834329 215053892 /nfs/dbraw/zinc/05/38/92/215053892.db2.gz BTJIDRPIFDHEBZ-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000331834329 215053895 /nfs/dbraw/zinc/05/38/95/215053895.db2.gz BTJIDRPIFDHEBZ-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000331834329 215053901 /nfs/dbraw/zinc/05/39/01/215053901.db2.gz BTJIDRPIFDHEBZ-JKSUJKDBSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870145 215059106 /nfs/dbraw/zinc/05/91/06/215059106.db2.gz ZJQHODZTTHETQP-IAGOWNOFSA-N 2 2 359.536 0.987 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870145 215059108 /nfs/dbraw/zinc/05/91/08/215059108.db2.gz ZJQHODZTTHETQP-IAGOWNOFSA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870145 215059110 /nfs/dbraw/zinc/05/91/10/215059110.db2.gz ZJQHODZTTHETQP-IAGOWNOFSA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870145 215059112 /nfs/dbraw/zinc/05/91/12/215059112.db2.gz ZJQHODZTTHETQP-IAGOWNOFSA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@](C)(O)C3)CC2)CC1 ZINC000332049983 215085021 /nfs/dbraw/zinc/08/50/21/215085021.db2.gz LMNKZPBERFJBLR-IBGZPJMESA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332065601 215085683 /nfs/dbraw/zinc/08/56/83/215085683.db2.gz RTQGLAJUWIAJDC-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC000332066313 215086514 /nfs/dbraw/zinc/08/65/14/215086514.db2.gz SDKKPJUQOGMDAK-UHFFFAOYSA-N 2 2 360.506 0.816 20 0 FCADLP COC(=O)[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000332161798 215103435 /nfs/dbraw/zinc/10/34/35/215103435.db2.gz QSJAGQSYBPVGSD-AWEZNQCLSA-N 2 2 352.479 0.750 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000332263692 215118341 /nfs/dbraw/zinc/11/83/41/215118341.db2.gz GXNZJGQNFBFBIR-SFHVURJKSA-N 2 2 373.501 0.643 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000332263692 215118346 /nfs/dbraw/zinc/11/83/46/215118346.db2.gz GXNZJGQNFBFBIR-SFHVURJKSA-N 2 2 373.501 0.643 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000332263678 215118625 /nfs/dbraw/zinc/11/86/25/215118625.db2.gz GXNZJGQNFBFBIR-GOSISDBHSA-N 2 2 373.501 0.643 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000332263678 215118629 /nfs/dbraw/zinc/11/86/29/215118629.db2.gz GXNZJGQNFBFBIR-GOSISDBHSA-N 2 2 373.501 0.643 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000332517664 215166128 /nfs/dbraw/zinc/16/61/28/215166128.db2.gz AUNFRWPGUXCTOT-OAHLLOKOSA-N 2 2 374.489 0.507 20 0 FCADLP CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332478745 215158583 /nfs/dbraw/zinc/15/85/83/215158583.db2.gz AWNPCIXKZXOXHV-QGZVFWFLSA-N 2 2 364.515 0.993 20 0 FCADLP CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332478745 215158585 /nfs/dbraw/zinc/15/85/85/215158585.db2.gz AWNPCIXKZXOXHV-QGZVFWFLSA-N 2 2 364.515 0.993 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000332529440 215170600 /nfs/dbraw/zinc/17/06/00/215170600.db2.gz USMCUYMZYWDAMY-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000332572201 215181515 /nfs/dbraw/zinc/18/15/15/215181515.db2.gz BXKIJXGRONGDIX-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000332572201 215181517 /nfs/dbraw/zinc/18/15/17/215181517.db2.gz BXKIJXGRONGDIX-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000332704008 215206097 /nfs/dbraw/zinc/20/60/97/215206097.db2.gz XPNCLKLTOQULNB-VVLHAWIVSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000332810678 215212924 /nfs/dbraw/zinc/21/29/24/215212924.db2.gz JZLDPNWMOMRZHX-ZACQAIPSSA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000332978925 215220798 /nfs/dbraw/zinc/22/07/98/215220798.db2.gz KBMSALYEGBDZKS-ZACQAIPSSA-N 2 2 371.547 0.666 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000332978925 215220800 /nfs/dbraw/zinc/22/08/00/215220800.db2.gz KBMSALYEGBDZKS-ZACQAIPSSA-N 2 2 371.547 0.666 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000332978925 215220803 /nfs/dbraw/zinc/22/08/03/215220803.db2.gz KBMSALYEGBDZKS-ZACQAIPSSA-N 2 2 371.547 0.666 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000332978925 215220806 /nfs/dbraw/zinc/22/08/06/215220806.db2.gz KBMSALYEGBDZKS-ZACQAIPSSA-N 2 2 371.547 0.666 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018884 215224505 /nfs/dbraw/zinc/22/45/05/215224505.db2.gz HTKWPAUAXLMGNH-HOTGVXAUSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018884 215224508 /nfs/dbraw/zinc/22/45/08/215224508.db2.gz HTKWPAUAXLMGNH-HOTGVXAUSA-N 2 2 372.535 0.039 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCN1C ZINC000333204014 215249173 /nfs/dbraw/zinc/24/91/73/215249173.db2.gz BKVMIIYMEBZZAO-IAGOWNOFSA-N 2 2 361.490 0.879 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1[NH+]1CCOCC1 ZINC000333318867 215262981 /nfs/dbraw/zinc/26/29/81/215262981.db2.gz WOYZIXXMQYCRSM-HIFRSBDPSA-N 2 2 350.467 0.348 20 0 FCADLP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000333289577 215258233 /nfs/dbraw/zinc/25/82/33/215258233.db2.gz OFQMQUNRJIQPLC-TVPLGVNVSA-N 2 2 364.534 0.962 20 0 FCADLP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000333289577 215258235 /nfs/dbraw/zinc/25/82/35/215258235.db2.gz OFQMQUNRJIQPLC-TVPLGVNVSA-N 2 2 364.534 0.962 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCOCC2)O1 ZINC000333368108 215270584 /nfs/dbraw/zinc/27/05/84/215270584.db2.gz YXEXOVSVPWHLLG-HNNXBMFYSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCOCC2)O1 ZINC000333368108 215270587 /nfs/dbraw/zinc/27/05/87/215270587.db2.gz YXEXOVSVPWHLLG-HNNXBMFYSA-N 2 2 351.491 0.999 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333421512 215279681 /nfs/dbraw/zinc/27/96/81/215279681.db2.gz SOOJPSMPPRIAAI-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333421512 215279686 /nfs/dbraw/zinc/27/96/86/215279686.db2.gz SOOJPSMPPRIAAI-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333421512 215279690 /nfs/dbraw/zinc/27/96/90/215279690.db2.gz SOOJPSMPPRIAAI-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333421512 215279693 /nfs/dbraw/zinc/27/96/93/215279693.db2.gz SOOJPSMPPRIAAI-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333494029 215287990 /nfs/dbraw/zinc/28/79/90/215287990.db2.gz DPLPRQBLUGRAJD-CVEARBPZSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333494036 215288551 /nfs/dbraw/zinc/28/85/51/215288551.db2.gz DPLPRQBLUGRAJD-JKSUJKDBSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333496795 215290246 /nfs/dbraw/zinc/29/02/46/215290246.db2.gz CCHMHKRLJKTNKO-ZACQAIPSSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333496795 215290250 /nfs/dbraw/zinc/29/02/50/215290250.db2.gz CCHMHKRLJKTNKO-ZACQAIPSSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000333638302 215303503 /nfs/dbraw/zinc/30/35/03/215303503.db2.gz HSQCYSWHOBPSGH-DEICHXMPSA-N 2 2 371.547 0.921 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333632507 215304135 /nfs/dbraw/zinc/30/41/35/215304135.db2.gz GWCGCQHHLZOCLL-CVEARBPZSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333650563 215305146 /nfs/dbraw/zinc/30/51/46/215305146.db2.gz JSVHKEKBJQXMBA-IKGGRYGDSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333689263 215309606 /nfs/dbraw/zinc/30/96/06/215309606.db2.gz PORJTMOZTJZHGQ-IAGOWNOFSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000333876018 215326949 /nfs/dbraw/zinc/32/69/49/215326949.db2.gz VHQYGOMEBGJCMS-ZACQAIPSSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000333921528 215331010 /nfs/dbraw/zinc/33/10/10/215331010.db2.gz QRAKPUIAMRZHKW-OAHLLOKOSA-N 2 2 359.474 0.578 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000285703912 213380742 /nfs/dbraw/zinc/38/07/42/213380742.db2.gz YAMWCGDURJAMBZ-UHFFFAOYSA-N 2 2 356.430 0.356 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(S(N)(=O)=O)CC3)c2cc1C ZINC000360604547 215365652 /nfs/dbraw/zinc/36/56/52/215365652.db2.gz NMYKITYDNNRELO-CQSZACIVSA-N 2 2 366.487 0.767 20 0 FCADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000360830676 215371222 /nfs/dbraw/zinc/37/12/22/215371222.db2.gz QJWAQWMSGKFXRS-PMACEKPBSA-N 2 2 372.513 0.436 20 0 FCADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000360830676 215371226 /nfs/dbraw/zinc/37/12/26/215371226.db2.gz QJWAQWMSGKFXRS-PMACEKPBSA-N 2 2 372.513 0.436 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000285269547 213314722 /nfs/dbraw/zinc/31/47/22/213314722.db2.gz PPCZVYJLJWKICU-CYBMUJFWSA-N 2 2 352.504 0.631 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000285269547 213314724 /nfs/dbraw/zinc/31/47/24/213314724.db2.gz PPCZVYJLJWKICU-CYBMUJFWSA-N 2 2 352.504 0.631 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@@H]21 ZINC000285039807 213270955 /nfs/dbraw/zinc/27/09/55/213270955.db2.gz IBOOAMPXRQECSP-CVEARBPZSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@@H]21 ZINC000285039807 213270958 /nfs/dbraw/zinc/27/09/58/213270958.db2.gz IBOOAMPXRQECSP-CVEARBPZSA-N 2 2 359.474 0.943 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000284917906 213248498 /nfs/dbraw/zinc/24/84/98/213248498.db2.gz GYPICVRHXMRPKJ-CKEIUWERSA-N 2 2 362.478 0.913 20 0 FCADLP CC[NH+](CC)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363581774 215554697 /nfs/dbraw/zinc/55/46/97/215554697.db2.gz KFTJIWAUHDAOQM-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000284498487 213153605 /nfs/dbraw/zinc/15/36/05/213153605.db2.gz PSJSPSFQAYYDRU-UHFFFAOYSA-N 2 2 359.474 0.326 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000284489413 213151917 /nfs/dbraw/zinc/15/19/17/213151917.db2.gz RSLXPTAPPUTFFJ-HUUCEWRRSA-N 2 2 371.441 0.789 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284458426 213144210 /nfs/dbraw/zinc/14/42/10/213144210.db2.gz FRDHYWXZLIAYGL-INIZCTEOSA-N 2 2 361.490 0.954 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284458426 213144213 /nfs/dbraw/zinc/14/42/13/213144213.db2.gz FRDHYWXZLIAYGL-INIZCTEOSA-N 2 2 361.490 0.954 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417718 213134740 /nfs/dbraw/zinc/13/47/40/213134740.db2.gz XQMSPGFXRPDTCQ-GJZGRUSLSA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417718 213134743 /nfs/dbraw/zinc/13/47/43/213134743.db2.gz XQMSPGFXRPDTCQ-GJZGRUSLSA-N 2 2 368.503 0.304 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000284361025 213121385 /nfs/dbraw/zinc/12/13/85/213121385.db2.gz YZCHXQQBMXDGBJ-UHFFFAOYSA-N 2 2 374.485 0.299 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000284144726 213084239 /nfs/dbraw/zinc/08/42/39/213084239.db2.gz YRTZKRLKDWOMIX-CQSZACIVSA-N 2 2 374.445 0.040 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284123313 213079228 /nfs/dbraw/zinc/07/92/28/213079228.db2.gz XKSSHMMXBGYTCG-CYBMUJFWSA-N 2 2 361.471 0.624 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284123313 213079226 /nfs/dbraw/zinc/07/92/26/213079226.db2.gz XKSSHMMXBGYTCG-CYBMUJFWSA-N 2 2 361.471 0.624 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000284079228 213069487 /nfs/dbraw/zinc/06/94/87/213069487.db2.gz VCFSONYUPJBZBQ-HNNXBMFYSA-N 2 2 373.457 0.645 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000284090981 213072074 /nfs/dbraw/zinc/07/20/74/213072074.db2.gz NYPRODVEAFXSBD-CVEARBPZSA-N 2 2 365.478 0.377 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000284090981 213072077 /nfs/dbraw/zinc/07/20/77/213072077.db2.gz NYPRODVEAFXSBD-CVEARBPZSA-N 2 2 365.478 0.377 20 0 FCADLP O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284088600 213070578 /nfs/dbraw/zinc/07/05/78/213070578.db2.gz MEFIGZYEQPZMPT-UHFFFAOYSA-N 2 2 371.485 0.721 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1C ZINC000284072234 213068005 /nfs/dbraw/zinc/06/80/05/213068005.db2.gz PAXILLAXIDTMPO-INIZCTEOSA-N 2 2 372.473 0.521 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283913258 213033997 /nfs/dbraw/zinc/03/39/97/213033997.db2.gz MPILSJCTGCEMLI-CQSZACIVSA-N 2 2 356.430 0.699 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000283927532 213036555 /nfs/dbraw/zinc/03/65/55/213036555.db2.gz DUSKDNXIJNKGOA-KBPBESRZSA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000283878734 213025394 /nfs/dbraw/zinc/02/53/94/213025394.db2.gz CNWCAYFWFZEACS-KGLIPLIRSA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000283878734 213025398 /nfs/dbraw/zinc/02/53/98/213025398.db2.gz CNWCAYFWFZEACS-KGLIPLIRSA-N 2 2 368.503 0.304 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000283875409 213024106 /nfs/dbraw/zinc/02/41/06/213024106.db2.gz CMUGCFPWAHNQPL-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000283875409 213024109 /nfs/dbraw/zinc/02/41/09/213024109.db2.gz CMUGCFPWAHNQPL-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000366595246 216001952 /nfs/dbraw/zinc/00/19/52/216001952.db2.gz VGZZFCPIULCPPC-QWHCGFSZSA-N 2 2 353.385 0.165 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000366595246 216001954 /nfs/dbraw/zinc/00/19/54/216001954.db2.gz VGZZFCPIULCPPC-QWHCGFSZSA-N 2 2 353.385 0.165 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411987778 237131723 /nfs/dbraw/zinc/13/17/23/237131723.db2.gz RHZCQNQIEYUGDK-WBVHZDCISA-N 2 2 367.515 0.769 20 0 FCADLP COCCCn1nccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000366980612 216058415 /nfs/dbraw/zinc/05/84/15/216058415.db2.gz HPJOBMYGJBGOOA-QGZVFWFLSA-N 2 2 351.495 0.416 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000367358721 216112547 /nfs/dbraw/zinc/11/25/47/216112547.db2.gz OBIZXBMKFWBJBC-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000367358721 216112552 /nfs/dbraw/zinc/11/25/52/216112552.db2.gz OBIZXBMKFWBJBC-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CCOC(=O)C1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000367612708 216142580 /nfs/dbraw/zinc/14/25/80/216142580.db2.gz QJHVDCBZQMCFBE-OFLPRAFFSA-N 2 2 367.490 0.631 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000246345356 209384540 /nfs/dbraw/zinc/38/45/40/209384540.db2.gz CLSCLFIKGOQFMK-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000246345356 209384542 /nfs/dbraw/zinc/38/45/42/209384542.db2.gz CLSCLFIKGOQFMK-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)c2cc1C ZINC000368213089 216217505 /nfs/dbraw/zinc/21/75/05/216217505.db2.gz SDUJNUDMSPJZEM-HUUCEWRRSA-N 2 2 366.487 0.767 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)c2cc1C ZINC000368213089 216217509 /nfs/dbraw/zinc/21/75/09/216217509.db2.gz SDUJNUDMSPJZEM-HUUCEWRRSA-N 2 2 366.487 0.767 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000246649449 209394791 /nfs/dbraw/zinc/39/47/91/209394791.db2.gz IMSCSESMQMFCPZ-WMZOPIPTSA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000246649449 209394794 /nfs/dbraw/zinc/39/47/94/209394794.db2.gz IMSCSESMQMFCPZ-WMZOPIPTSA-N 2 2 360.506 0.627 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246410980 209388328 /nfs/dbraw/zinc/38/83/28/209388328.db2.gz BMQMQCGGNYEUEH-LZWOXQAQSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410980 209388333 /nfs/dbraw/zinc/38/83/33/209388333.db2.gz BMQMQCGGNYEUEH-LZWOXQAQSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246410980 209388336 /nfs/dbraw/zinc/38/83/36/209388336.db2.gz BMQMQCGGNYEUEH-LZWOXQAQSA-N 2 2 352.479 0.796 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000246416374 209386608 /nfs/dbraw/zinc/38/66/08/209386608.db2.gz LQSPDDZLMIZPBP-KZNAEPCWSA-N 2 2 368.522 0.992 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000245446538 209367906 /nfs/dbraw/zinc/36/79/06/209367906.db2.gz LGBWEXPZFYWXBO-AEFFLSMTSA-N 2 2 350.507 0.873 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000245446538 209367909 /nfs/dbraw/zinc/36/79/09/209367909.db2.gz LGBWEXPZFYWXBO-AEFFLSMTSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246213912 209381401 /nfs/dbraw/zinc/38/14/01/209381401.db2.gz ZOXLSNDFBXEAGM-CABCVRRESA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246213912 209381402 /nfs/dbraw/zinc/38/14/02/209381402.db2.gz ZOXLSNDFBXEAGM-CABCVRRESA-N 2 2 359.474 0.928 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000237958131 209362028 /nfs/dbraw/zinc/36/20/28/209362028.db2.gz NDKGPJWNZJCDNG-KRWDZBQOSA-N 2 2 355.442 0.859 20 0 FCADLP C[C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237628333 209354771 /nfs/dbraw/zinc/35/47/71/209354771.db2.gz DPDSEACYAPYQRP-SJORKVTESA-N 2 2 360.506 0.741 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1csc(C[NH3+])n1 ZINC000237516678 209353672 /nfs/dbraw/zinc/35/36/72/209353672.db2.gz KSBAUVCSTCGKRR-ZDUSSCGKSA-N 2 2 360.487 0.937 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237526149 209353751 /nfs/dbraw/zinc/35/37/51/209353751.db2.gz PSFNPLMMXYAANY-KBXCAEBGSA-N 2 2 356.470 0.512 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCN3CCCS3(=O)=O)CC2)CC1 ZINC000195204161 209332625 /nfs/dbraw/zinc/33/26/25/209332625.db2.gz OOUIDLKDKHAOMY-UHFFFAOYSA-N 2 2 372.535 0.087 20 0 FCADLP CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000236817911 209345068 /nfs/dbraw/zinc/34/50/68/209345068.db2.gz FIUKYWSMTDRHGP-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCn2cc[nH+]c2)CC1 ZINC000194109296 209324338 /nfs/dbraw/zinc/32/43/38/209324338.db2.gz QZQSKYWMDVGYGL-UHFFFAOYSA-N 2 2 351.451 0.942 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000368486354 216252200 /nfs/dbraw/zinc/25/22/00/216252200.db2.gz ZNYRIJDQGCXQGV-QGZVFWFLSA-N 2 2 352.523 0.724 20 0 FCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@H+]3CCOC[C@H]3C)CC2)C1 ZINC000192712335 209303888 /nfs/dbraw/zinc/30/38/88/209303888.db2.gz OOHXKKHQVQMDGJ-RTBURBONSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCN3CCOC[C@H]3C)CC2)C1 ZINC000192712335 209303872 /nfs/dbraw/zinc/30/38/72/209303872.db2.gz OOHXKKHQVQMDGJ-RTBURBONSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCN3CCOC[C@H]3C)CC2)C1 ZINC000192712335 209303877 /nfs/dbraw/zinc/30/38/77/209303877.db2.gz OOHXKKHQVQMDGJ-RTBURBONSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCOC[C@H]3C)CC2)C1 ZINC000192712335 209303881 /nfs/dbraw/zinc/30/38/81/209303881.db2.gz OOHXKKHQVQMDGJ-RTBURBONSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[NH+]1CCO[C@H](CN2CCN(CC[N@@H+]3CCOC[C@H]3C)CC2)C1 ZINC000192712335 209303885 /nfs/dbraw/zinc/30/38/85/209303885.db2.gz OOHXKKHQVQMDGJ-RTBURBONSA-N 2 2 354.539 0.434 20 0 FCADLP CN(C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000368681200 216280462 /nfs/dbraw/zinc/28/04/62/216280462.db2.gz UZKHCNKIHSRZHY-UHFFFAOYSA-N 2 2 353.507 0.937 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000192114069 209296391 /nfs/dbraw/zinc/29/63/91/209296391.db2.gz OYXDDLJYBKXUOR-GJZGRUSLSA-N 2 2 362.474 0.553 20 0 FCADLP CC(C)(C)n1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000191135852 209282617 /nfs/dbraw/zinc/28/26/17/209282617.db2.gz LFVFUJLCNNCEPK-AWEZNQCLSA-N 2 2 350.467 0.056 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1(CO)CCOCC1 ZINC000190976196 209279795 /nfs/dbraw/zinc/27/97/95/209279795.db2.gz GKKFSFWCMIDBBP-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1(CO)CCOCC1 ZINC000190976196 209279797 /nfs/dbraw/zinc/27/97/97/209279797.db2.gz GKKFSFWCMIDBBP-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](CO)C3)CC2)cc1 ZINC000190873345 209279350 /nfs/dbraw/zinc/27/93/50/209279350.db2.gz BOXLACVNPQOGJE-AEFFLSMTSA-N 2 2 361.486 0.900 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](CO)C3)CC2)cc1 ZINC000190873345 209279353 /nfs/dbraw/zinc/27/93/53/209279353.db2.gz BOXLACVNPQOGJE-AEFFLSMTSA-N 2 2 361.486 0.900 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)COc3ccccc3)C2)CC1 ZINC000369257131 216372072 /nfs/dbraw/zinc/37/20/72/216372072.db2.gz QTSGABAJEBLFGN-MRXNPFEDSA-N 2 2 374.485 0.466 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)COc3ccccc3)C2)CC1 ZINC000369257131 216372075 /nfs/dbraw/zinc/37/20/75/216372075.db2.gz QTSGABAJEBLFGN-MRXNPFEDSA-N 2 2 374.485 0.466 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CCOCC3(C)C)C2)CC1 ZINC000369372671 216391694 /nfs/dbraw/zinc/39/16/94/216391694.db2.gz KWPNZRYVXQOENR-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[NH+]3CCOCC3(C)C)C2)CC1 ZINC000369372671 216391697 /nfs/dbraw/zinc/39/16/97/216391697.db2.gz KWPNZRYVXQOENR-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@@H+]3CCOCC3(C)C)C2)CC1 ZINC000369372671 216391701 /nfs/dbraw/zinc/39/17/01/216391701.db2.gz KWPNZRYVXQOENR-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@H+]3CCOCC3(C)C)C2)CC1 ZINC000369372671 216391705 /nfs/dbraw/zinc/39/17/05/216391705.db2.gz KWPNZRYVXQOENR-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000369391766 216393487 /nfs/dbraw/zinc/39/34/87/216393487.db2.gz BTZWJPNBNZQHDN-CQSZACIVSA-N 2 2 369.510 0.979 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000369391766 216393490 /nfs/dbraw/zinc/39/34/90/216393490.db2.gz BTZWJPNBNZQHDN-CQSZACIVSA-N 2 2 369.510 0.979 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)NCC[N@@H+]3CCCOCC3)cc2)CC1 ZINC000189458679 209252518 /nfs/dbraw/zinc/25/25/18/209252518.db2.gz LJBYHNSUKJVGOR-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)NCC[N@H+]3CCCOCC3)cc2)CC1 ZINC000189458679 209252521 /nfs/dbraw/zinc/25/25/21/209252521.db2.gz LJBYHNSUKJVGOR-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NCC[N@@H+]3CCCOCC3)cc2)CC1 ZINC000189458679 209252523 /nfs/dbraw/zinc/25/25/23/209252523.db2.gz LJBYHNSUKJVGOR-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NCC[N@H+]3CCCOCC3)cc2)CC1 ZINC000189458679 209252526 /nfs/dbraw/zinc/25/25/26/209252526.db2.gz LJBYHNSUKJVGOR-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP C[C@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000189308916 209249006 /nfs/dbraw/zinc/24/90/06/209249006.db2.gz GQXYBNZLPXKQAV-INIZCTEOSA-N 2 2 366.531 0.391 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188698034 209236954 /nfs/dbraw/zinc/23/69/54/209236954.db2.gz OPWSJOIQQMWNRY-UHFFFAOYSA-N 2 2 355.442 0.818 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188699625 209237009 /nfs/dbraw/zinc/23/70/09/209237009.db2.gz LIXFGQGMYMBAKE-QGZVFWFLSA-N 2 2 355.442 0.859 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188742297 209236510 /nfs/dbraw/zinc/23/65/10/209236510.db2.gz MEEYRNDNRLYQDE-JKSUJKDBSA-N 2 2 351.422 0.714 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188586782 209234413 /nfs/dbraw/zinc/23/44/13/209234413.db2.gz HCXZXKNZVYUBAM-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188586782 209234417 /nfs/dbraw/zinc/23/44/17/209234417.db2.gz HCXZXKNZVYUBAM-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP CCS(=O)(=O)NCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188298112 209228115 /nfs/dbraw/zinc/22/81/15/209228115.db2.gz LGOKGZLAULHJFM-KRWDZBQOSA-N 2 2 355.504 0.495 20 0 FCADLP CCS(=O)(=O)NCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188298112 209228119 /nfs/dbraw/zinc/22/81/19/209228119.db2.gz LGOKGZLAULHJFM-KRWDZBQOSA-N 2 2 355.504 0.495 20 0 FCADLP CCS(=O)(=O)NCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188298112 209228122 /nfs/dbraw/zinc/22/81/22/209228122.db2.gz LGOKGZLAULHJFM-KRWDZBQOSA-N 2 2 355.504 0.495 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](OCCO)C3)CC2)CC1 ZINC000188176739 209226625 /nfs/dbraw/zinc/22/66/25/209226625.db2.gz IFHINOWWKXLAGU-GOSISDBHSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000187818923 209218976 /nfs/dbraw/zinc/21/89/76/209218976.db2.gz HJGBQVRHVPGGMP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000187818923 209218978 /nfs/dbraw/zinc/21/89/78/209218978.db2.gz HJGBQVRHVPGGMP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000187818923 209218980 /nfs/dbraw/zinc/21/89/80/209218980.db2.gz HJGBQVRHVPGGMP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000187818923 209218986 /nfs/dbraw/zinc/21/89/86/209218986.db2.gz HJGBQVRHVPGGMP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000187072484 209203146 /nfs/dbraw/zinc/20/31/46/209203146.db2.gz VCJRXMZOLFCVKI-HNNXBMFYSA-N 2 2 370.519 0.735 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000187072484 209203150 /nfs/dbraw/zinc/20/31/50/209203150.db2.gz VCJRXMZOLFCVKI-HNNXBMFYSA-N 2 2 370.519 0.735 20 0 FCADLP CCn1cc(CC[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000276357459 212218407 /nfs/dbraw/zinc/21/84/07/212218407.db2.gz XSYFGAVXRGRDAC-UHFFFAOYSA-N 2 2 371.489 0.894 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000275773749 212088585 /nfs/dbraw/zinc/08/85/85/212088585.db2.gz OQNSVYNFXFXVCN-GOEBONIOSA-N 2 2 364.421 0.387 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000275625892 212062996 /nfs/dbraw/zinc/06/29/96/212062996.db2.gz JIFDPKMIAGFWDO-OAHLLOKOSA-N 2 2 364.519 0.741 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000275625892 212062999 /nfs/dbraw/zinc/06/29/99/212062999.db2.gz JIFDPKMIAGFWDO-OAHLLOKOSA-N 2 2 364.519 0.741 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000185604430 209179621 /nfs/dbraw/zinc/17/96/21/209179621.db2.gz BTBGDYZIMBFWSV-UHFFFAOYSA-N 2 2 359.430 0.456 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000185604430 209179625 /nfs/dbraw/zinc/17/96/25/209179625.db2.gz BTBGDYZIMBFWSV-UHFFFAOYSA-N 2 2 359.430 0.456 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275481528 212035774 /nfs/dbraw/zinc/03/57/74/212035774.db2.gz ADUIYJBEDUHNKT-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000414654715 245306985 /nfs/dbraw/zinc/30/69/85/245306985.db2.gz GLUCNYFTADYGRU-UHFFFAOYSA-N 2 2 362.474 0.962 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000414673519 245312184 /nfs/dbraw/zinc/31/21/84/245312184.db2.gz CLYCLELUXSTRQZ-KRWDZBQOSA-N 2 2 362.474 0.947 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746234 245317620 /nfs/dbraw/zinc/31/76/20/245317620.db2.gz YRKDJURZDHSXMP-FUHWJXTLSA-N 2 2 356.474 0.936 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746234 245317631 /nfs/dbraw/zinc/31/76/31/245317631.db2.gz YRKDJURZDHSXMP-FUHWJXTLSA-N 2 2 356.474 0.936 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000414808409 245323901 /nfs/dbraw/zinc/32/39/01/245323901.db2.gz SQRWXIWTFFWMMP-UHFFFAOYSA-N 2 2 362.474 0.962 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000414808409 245323910 /nfs/dbraw/zinc/32/39/10/245323910.db2.gz SQRWXIWTFFWMMP-UHFFFAOYSA-N 2 2 362.474 0.962 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000414826753 245327020 /nfs/dbraw/zinc/32/70/20/245327020.db2.gz GCJZHCRGLPTNFT-UHFFFAOYSA-N 2 2 370.457 0.802 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC(F)(F)C[NH3+])c1 ZINC000415050003 245342381 /nfs/dbraw/zinc/34/23/81/245342381.db2.gz AWPJBPVBWUTKGH-CYBMUJFWSA-N 2 2 355.389 0.852 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC(F)(F)C[NH3+])c1 ZINC000415050003 245342387 /nfs/dbraw/zinc/34/23/87/245342387.db2.gz AWPJBPVBWUTKGH-CYBMUJFWSA-N 2 2 355.389 0.852 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000415243629 245367823 /nfs/dbraw/zinc/36/78/23/245367823.db2.gz WMGAMZYDMJQWNV-CKEIUWERSA-N 2 2 360.458 0.966 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000415273751 245374519 /nfs/dbraw/zinc/37/45/19/245374519.db2.gz SNRLZTXYFOMHHM-QGZVFWFLSA-N 2 2 373.501 0.712 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184994648 209171158 /nfs/dbraw/zinc/17/11/58/209171158.db2.gz ZLQPOUCHYGRDMQ-MRXNPFEDSA-N 2 2 362.478 0.727 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184994648 209171164 /nfs/dbraw/zinc/17/11/64/209171164.db2.gz ZLQPOUCHYGRDMQ-MRXNPFEDSA-N 2 2 362.478 0.727 20 0 FCADLP Cc1nc(N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)cc[nH+]1 ZINC000184970763 209169992 /nfs/dbraw/zinc/16/99/92/209169992.db2.gz GXDQFRPDDUINMS-UHFFFAOYSA-N 2 2 362.478 0.727 20 0 FCADLP Cc1nc(N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)cc[nH+]1 ZINC000184970763 209169995 /nfs/dbraw/zinc/16/99/95/209169995.db2.gz GXDQFRPDDUINMS-UHFFFAOYSA-N 2 2 362.478 0.727 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000184987551 209169897 /nfs/dbraw/zinc/16/98/97/209169897.db2.gz AKATVVNMEIBBNY-HNNXBMFYSA-N 2 2 361.494 0.253 20 0 FCADLP Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000184589431 209165558 /nfs/dbraw/zinc/16/55/58/209165558.db2.gz RMZJXQCPQDKACM-GOSISDBHSA-N 2 2 369.469 0.558 20 0 FCADLP Cn1nc2c(cc1=O)C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000184589431 209165562 /nfs/dbraw/zinc/16/55/62/209165562.db2.gz RMZJXQCPQDKACM-GOSISDBHSA-N 2 2 369.469 0.558 20 0 FCADLP COc1ccc(OC)c2c1C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]2O ZINC000275349445 212011708 /nfs/dbraw/zinc/01/17/08/212011708.db2.gz ZMBUTOTVNWWXSY-HNNXBMFYSA-N 2 2 363.458 0.717 20 0 FCADLP COc1ccc(OC)c2c1C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]2O ZINC000275349445 212011712 /nfs/dbraw/zinc/01/17/12/212011712.db2.gz ZMBUTOTVNWWXSY-HNNXBMFYSA-N 2 2 363.458 0.717 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374293236 217114935 /nfs/dbraw/zinc/11/49/35/217114935.db2.gz BEZFUWGZLGUVBD-OWCLPIDISA-N 2 2 353.511 0.567 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374293236 217114938 /nfs/dbraw/zinc/11/49/38/217114938.db2.gz BEZFUWGZLGUVBD-OWCLPIDISA-N 2 2 353.511 0.567 20 0 FCADLP CC(C)(C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000374885748 217185632 /nfs/dbraw/zinc/18/56/32/217185632.db2.gz DVRWDZNYIKILND-OAHLLOKOSA-N 2 2 352.479 0.038 20 0 FCADLP CC(C)(C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000374885748 217185634 /nfs/dbraw/zinc/18/56/34/217185634.db2.gz DVRWDZNYIKILND-OAHLLOKOSA-N 2 2 352.479 0.038 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4cc(F)ccc43)C2)CC1 ZINC000375004621 217203865 /nfs/dbraw/zinc/20/38/65/217203865.db2.gz ZGJWIHNJCDURQX-MRXNPFEDSA-N 2 2 374.460 1.000 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4cc(F)ccc43)C2)CC1 ZINC000375004621 217203867 /nfs/dbraw/zinc/20/38/67/217203867.db2.gz ZGJWIHNJCDURQX-MRXNPFEDSA-N 2 2 374.460 1.000 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nn1 ZINC000375304468 217246450 /nfs/dbraw/zinc/24/64/50/217246450.db2.gz TUJOBCDKKXJUJY-GDBMZVCRSA-N 2 2 358.446 0.960 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nn1 ZINC000375304468 217246455 /nfs/dbraw/zinc/24/64/55/217246455.db2.gz TUJOBCDKKXJUJY-GDBMZVCRSA-N 2 2 358.446 0.960 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000181364175 209112574 /nfs/dbraw/zinc/11/25/74/209112574.db2.gz PWAPKUCUEDEDRA-GOSISDBHSA-N 2 2 360.458 0.620 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000181364175 209112577 /nfs/dbraw/zinc/11/25/77/209112577.db2.gz PWAPKUCUEDEDRA-GOSISDBHSA-N 2 2 360.458 0.620 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889323 217331085 /nfs/dbraw/zinc/33/10/85/217331085.db2.gz JOQYAXVRNKVSCG-MOPGFXCFSA-N 3 2 365.566 0.639 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889323 217331089 /nfs/dbraw/zinc/33/10/89/217331089.db2.gz JOQYAXVRNKVSCG-MOPGFXCFSA-N 3 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889323 217331092 /nfs/dbraw/zinc/33/10/92/217331092.db2.gz JOQYAXVRNKVSCG-MOPGFXCFSA-N 2 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889323 217331094 /nfs/dbraw/zinc/33/10/94/217331094.db2.gz JOQYAXVRNKVSCG-MOPGFXCFSA-N 2 2 365.566 0.639 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000376246187 217374655 /nfs/dbraw/zinc/37/46/55/217374655.db2.gz CRJPRWLSIBMPSR-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376324234 217385276 /nfs/dbraw/zinc/38/52/76/217385276.db2.gz SNVRIPKNQSBGNB-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376324234 217385277 /nfs/dbraw/zinc/38/52/77/217385277.db2.gz SNVRIPKNQSBGNB-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434751 217398627 /nfs/dbraw/zinc/39/86/27/217398627.db2.gz JGUCBDZDYNCVLJ-SJORKVTESA-N 2 2 367.538 0.517 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419126315 246001741 /nfs/dbraw/zinc/00/17/41/246001741.db2.gz MNTZFXQPJVUYLW-QGZVFWFLSA-N 2 2 369.469 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419128234 246002545 /nfs/dbraw/zinc/00/25/45/246002545.db2.gz VQRHUCHQRDPANB-CVEARBPZSA-N 2 2 369.469 0.799 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000419146986 246016021 /nfs/dbraw/zinc/01/60/21/246016021.db2.gz HYBHWOUYSBBXPQ-HXUWFJFHSA-N 2 2 369.469 0.939 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c[nH+]1 ZINC000419201606 246050477 /nfs/dbraw/zinc/05/04/77/246050477.db2.gz FZPRWHVMBUEKJG-HZPDHXFCSA-N 2 2 359.474 0.612 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)c[nH+]2)CC1 ZINC000419206021 246052928 /nfs/dbraw/zinc/05/29/28/246052928.db2.gz MDRYJRGVXRIWAK-MRXNPFEDSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C[NH3+] ZINC000419273109 246083284 /nfs/dbraw/zinc/08/32/84/246083284.db2.gz HUOMNLYPNMEKGZ-QAPCUYQASA-N 2 2 369.469 0.991 20 0 FCADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@@H]12 ZINC000419277635 246084510 /nfs/dbraw/zinc/08/45/10/246084510.db2.gz MGZXVSOORSQBPH-RCCFBDPRSA-N 2 2 367.453 0.743 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270793 246082266 /nfs/dbraw/zinc/08/22/66/246082266.db2.gz DOEOLUHXKDGILI-QGZVFWFLSA-N 2 2 355.442 0.758 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419309725 246096050 /nfs/dbraw/zinc/09/60/50/246096050.db2.gz QENGHGTVNBYOGW-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419304165 246090303 /nfs/dbraw/zinc/09/03/03/246090303.db2.gz JGLACFFUHRGPLM-SJORKVTESA-N 2 2 371.485 0.756 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419414555 246147799 /nfs/dbraw/zinc/14/77/99/246147799.db2.gz FLGCBUDNQGDXGR-HNNXBMFYSA-N 2 2 354.495 0.252 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000419656494 246233128 /nfs/dbraw/zinc/23/31/28/246233128.db2.gz URQKPROYLQXWIQ-INIZCTEOSA-N 2 2 361.490 0.902 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000419635286 246223948 /nfs/dbraw/zinc/22/39/48/246223948.db2.gz CVQWCFJCDXUJJC-GXTWGEPZSA-N 2 2 363.462 0.107 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419681609 246246008 /nfs/dbraw/zinc/24/60/08/246246008.db2.gz IPGDQHCGMNXAQU-UXLLHSPISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419705739 246261145 /nfs/dbraw/zinc/26/11/45/246261145.db2.gz BEQAKKAKWYJWMP-CYBMUJFWSA-N 2 2 364.877 0.635 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419705739 246261148 /nfs/dbraw/zinc/26/11/48/246261148.db2.gz BEQAKKAKWYJWMP-CYBMUJFWSA-N 2 2 364.877 0.635 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419856193 246326881 /nfs/dbraw/zinc/32/68/81/246326881.db2.gz SAXSSHNMFNABCU-UHFFFAOYSA-N 2 2 358.486 0.898 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419912666 246365683 /nfs/dbraw/zinc/36/56/83/246365683.db2.gz LQJWQJWTFZLLMB-AWEZNQCLSA-N 2 2 350.488 0.508 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419876410 246342888 /nfs/dbraw/zinc/34/28/88/246342888.db2.gz PPSDZGFLDNSAKN-IRXDYDNUSA-N 3 2 367.538 0.118 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419876410 246342895 /nfs/dbraw/zinc/34/28/95/246342895.db2.gz PPSDZGFLDNSAKN-IRXDYDNUSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000419894857 246356231 /nfs/dbraw/zinc/35/62/31/246356231.db2.gz RNMRSNWKVLWBON-HNNXBMFYSA-N 2 2 362.474 0.626 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419903669 246359324 /nfs/dbraw/zinc/35/93/24/246359324.db2.gz VHDHAFAWTNKFED-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419941849 246381654 /nfs/dbraw/zinc/38/16/54/246381654.db2.gz YDIQYGKIHDTODI-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419941849 246381657 /nfs/dbraw/zinc/38/16/57/246381657.db2.gz YDIQYGKIHDTODI-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000419965104 246390404 /nfs/dbraw/zinc/39/04/04/246390404.db2.gz GNCOHFJKQODYDF-ZACQAIPSSA-N 2 2 366.506 0.062 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000419974246 246396740 /nfs/dbraw/zinc/39/67/40/246396740.db2.gz JHGFEMFSXGOYGO-DLBZAZTESA-N 2 2 366.506 0.206 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419981054 246398860 /nfs/dbraw/zinc/39/88/60/246398860.db2.gz RRPZXZDCSHQOLC-KBPBESRZSA-N 2 2 363.462 0.227 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000420219779 246531706 /nfs/dbraw/zinc/53/17/06/246531706.db2.gz YYIXYQZSVLYBDL-SJLPKXTDSA-N 2 2 358.486 0.883 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)CC2)cc1 ZINC000423042231 246952735 /nfs/dbraw/zinc/95/27/35/246952735.db2.gz YTAHYWLWFBBKKW-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423361989 247012068 /nfs/dbraw/zinc/01/20/68/247012068.db2.gz HJCFKGMQUOGXRU-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP [NH3+]CC1(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC1 ZINC000423367830 247013482 /nfs/dbraw/zinc/01/34/82/247013482.db2.gz RNADFIWJGRWQDR-UHFFFAOYSA-N 2 2 360.458 0.816 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423376310 247015500 /nfs/dbraw/zinc/01/55/00/247015500.db2.gz UWBKXXSVBJVLRG-MRXNPFEDSA-N 2 2 356.511 0.387 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423376539 247015733 /nfs/dbraw/zinc/01/57/33/247015733.db2.gz JMHMIYWAKCOUSY-LZLYRXPVSA-N 2 2 372.469 0.909 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423374877 247016030 /nfs/dbraw/zinc/01/60/30/247016030.db2.gz UAXOGSKADYDNGU-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP [NH3+][C@H](C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)C1CCC1 ZINC000423394288 247019633 /nfs/dbraw/zinc/01/96/33/247019633.db2.gz RYEPPWSZLYYAIV-KRWDZBQOSA-N 2 2 362.449 0.827 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@@H]1C[NH3+] ZINC000423399473 247020436 /nfs/dbraw/zinc/02/04/36/247020436.db2.gz WFNQKYUZAWEVAN-PMPSAXMXSA-N 2 2 361.490 0.645 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C[C@@H]21 ZINC000423394528 247020794 /nfs/dbraw/zinc/02/07/94/247020794.db2.gz ZWNDGWOKBAERJD-MXASKKJJSA-N 2 2 358.442 0.647 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423308093 247000892 /nfs/dbraw/zinc/00/08/92/247000892.db2.gz IRAMNWGPLONKIF-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423308093 247000894 /nfs/dbraw/zinc/00/08/94/247000894.db2.gz IRAMNWGPLONKIF-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[NH+]1CCOCC1 ZINC000423313352 247002799 /nfs/dbraw/zinc/00/27/99/247002799.db2.gz FOXKDFLKECSMFO-OAHLLOKOSA-N 2 2 352.483 0.494 20 0 FCADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423328086 247006144 /nfs/dbraw/zinc/00/61/44/247006144.db2.gz RYMUOCZJHGGDCR-HNNXBMFYSA-N 2 2 371.503 0.594 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423487122 247035668 /nfs/dbraw/zinc/03/56/68/247035668.db2.gz UZVVLXKJHGSNQT-ZFWWWQNUSA-N 2 2 366.487 0.139 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423517947 247039581 /nfs/dbraw/zinc/03/95/81/247039581.db2.gz UTGZEUMMRIIXOJ-OAHLLOKOSA-N 2 2 355.442 0.768 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000423519828 247041813 /nfs/dbraw/zinc/04/18/13/247041813.db2.gz JMHMIYWAKCOUSY-RYRKJORJSA-N 2 2 372.469 0.909 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423688697 247110299 /nfs/dbraw/zinc/11/02/99/247110299.db2.gz XJTCJBSRAUAIPW-JKSUJKDBSA-N 2 2 354.495 0.284 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000423695340 247113145 /nfs/dbraw/zinc/11/31/45/247113145.db2.gz BRJGSZSUTXUGBS-CVEARBPZSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423614028 247077723 /nfs/dbraw/zinc/07/77/23/247077723.db2.gz WQRXVTBQPKNZRK-QGZVFWFLSA-N 2 2 373.501 0.087 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000423662181 247098781 /nfs/dbraw/zinc/09/87/81/247098781.db2.gz DPIXGOXUOULKHW-INIZCTEOSA-N 2 2 355.442 0.724 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000423749607 247138268 /nfs/dbraw/zinc/13/82/68/247138268.db2.gz SWQLFQRNRJCYTP-INIZCTEOSA-N 2 2 361.490 0.802 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000423751867 247139693 /nfs/dbraw/zinc/13/96/93/247139693.db2.gz BTZBBNGZZRQMRS-MAUKXSAKSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000423751867 247139696 /nfs/dbraw/zinc/13/96/96/247139696.db2.gz BTZBBNGZZRQMRS-MAUKXSAKSA-N 2 2 374.489 0.526 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CCOC3C[NH2+]C3)c2)CC1 ZINC000423846362 247147287 /nfs/dbraw/zinc/14/72/87/247147287.db2.gz PAYXGBCWQULQEJ-UHFFFAOYSA-N 2 2 360.458 0.668 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)CCOC1C[NH2+]C1 ZINC000423924725 247151000 /nfs/dbraw/zinc/15/10/00/247151000.db2.gz ZDZMCYZRVIPIGU-GJZGRUSLSA-N 2 2 353.442 0.169 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)CCOC1C[NH2+]C1 ZINC000423924725 247151002 /nfs/dbraw/zinc/15/10/02/247151002.db2.gz ZDZMCYZRVIPIGU-GJZGRUSLSA-N 2 2 353.442 0.169 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423727160 247128646 /nfs/dbraw/zinc/12/86/46/247128646.db2.gz LDBZBGRYCIAYCD-INIZCTEOSA-N 2 2 350.438 0.538 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423727160 247128647 /nfs/dbraw/zinc/12/86/47/247128647.db2.gz LDBZBGRYCIAYCD-INIZCTEOSA-N 2 2 350.438 0.538 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000424245267 247188067 /nfs/dbraw/zinc/18/80/67/247188067.db2.gz RRMURUOZGFLIMT-MRXNPFEDSA-N 2 2 360.458 0.573 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000424332067 247197823 /nfs/dbraw/zinc/19/78/23/247197823.db2.gz KPUXOPXLJBLREF-RTBURBONSA-N 3 2 360.502 0.995 20 0 FCADLP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1COCC[NH2+]1)CC2 ZINC000424193909 247176132 /nfs/dbraw/zinc/17/61/32/247176132.db2.gz VMMFCCVMAHXMBG-KGLIPLIRSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1COCC[NH2+]1)CC2 ZINC000424193909 247176136 /nfs/dbraw/zinc/17/61/36/247176136.db2.gz VMMFCCVMAHXMBG-KGLIPLIRSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000931723545 674132118 /nfs/dbraw/zinc/13/21/18/674132118.db2.gz TUSNCKVXIXZHQA-LSDHHAIUSA-N 2 2 366.487 0.831 20 0 FCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000931723545 674132119 /nfs/dbraw/zinc/13/21/19/674132119.db2.gz TUSNCKVXIXZHQA-LSDHHAIUSA-N 2 2 366.487 0.831 20 0 FCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000931723545 674132120 /nfs/dbraw/zinc/13/21/20/674132120.db2.gz TUSNCKVXIXZHQA-LSDHHAIUSA-N 2 2 366.487 0.831 20 0 FCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000931723545 674132122 /nfs/dbraw/zinc/13/21/22/674132122.db2.gz TUSNCKVXIXZHQA-LSDHHAIUSA-N 2 2 366.487 0.831 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424541104 247256757 /nfs/dbraw/zinc/25/67/57/247256757.db2.gz DMGYQFGDWUFGRH-CABCVRRESA-N 2 2 372.460 0.728 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424541104 247256762 /nfs/dbraw/zinc/25/67/62/247256762.db2.gz DMGYQFGDWUFGRH-CABCVRRESA-N 2 2 372.460 0.728 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)n1C ZINC000425339428 247326836 /nfs/dbraw/zinc/32/68/36/247326836.db2.gz COJUNNZYWIEKNM-CQSZACIVSA-N 2 2 369.477 0.930 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000425396929 247335527 /nfs/dbraw/zinc/33/55/27/247335527.db2.gz ZOFZLPSYXNYRND-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000425396929 247335529 /nfs/dbraw/zinc/33/55/29/247335529.db2.gz ZOFZLPSYXNYRND-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000425480856 247344210 /nfs/dbraw/zinc/34/42/10/247344210.db2.gz RENUCEZXECCRLP-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000435561208 248000029 /nfs/dbraw/zinc/00/00/29/248000029.db2.gz RMTGAAYXGZTZFM-SFHVURJKSA-N 2 2 370.538 0.977 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000435561207 248000551 /nfs/dbraw/zinc/00/05/51/248000551.db2.gz RMTGAAYXGZTZFM-GOSISDBHSA-N 2 2 370.538 0.977 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CS(=O)(=O)CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435575127 248001365 /nfs/dbraw/zinc/00/13/65/248001365.db2.gz QIIGWDXSFJKERJ-CQSZACIVSA-N 2 2 368.503 0.808 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000435575841 248002618 /nfs/dbraw/zinc/00/26/18/248002618.db2.gz FGBWDVHVNSRALB-QGZVFWFLSA-N 2 2 370.538 0.976 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681672 248010455 /nfs/dbraw/zinc/01/04/55/248010455.db2.gz JFHDABFOKLEHDO-ZIAGYGMSSA-N 2 2 362.478 0.598 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000436056385 248030522 /nfs/dbraw/zinc/03/05/22/248030522.db2.gz VPTLAWIPJIICHR-ZDUSSCGKSA-N 2 2 353.854 0.993 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000436056385 248030527 /nfs/dbraw/zinc/03/05/27/248030527.db2.gz VPTLAWIPJIICHR-ZDUSSCGKSA-N 2 2 353.854 0.993 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000440266971 248167029 /nfs/dbraw/zinc/16/70/29/248167029.db2.gz KWIDWTPILSMNNZ-ZDUSSCGKSA-N 2 2 361.446 0.288 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000440266971 248167032 /nfs/dbraw/zinc/16/70/32/248167032.db2.gz KWIDWTPILSMNNZ-ZDUSSCGKSA-N 2 2 361.446 0.288 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000440275497 248168597 /nfs/dbraw/zinc/16/85/97/248168597.db2.gz STGHWHJSPFMLGP-MRXNPFEDSA-N 2 2 373.501 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000440275497 248168600 /nfs/dbraw/zinc/16/86/00/248168600.db2.gz STGHWHJSPFMLGP-MRXNPFEDSA-N 2 2 373.501 0.535 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780060 248297051 /nfs/dbraw/zinc/29/70/51/248297051.db2.gz MYZSHEGCUBJUCC-XYPWUTKMSA-N 2 2 360.458 0.382 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442780060 248297054 /nfs/dbraw/zinc/29/70/54/248297054.db2.gz MYZSHEGCUBJUCC-XYPWUTKMSA-N 2 2 360.458 0.382 20 0 FCADLP CCO[C@H]1C[C@@](CO)([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000444796664 248368848 /nfs/dbraw/zinc/36/88/48/248368848.db2.gz WGUJYVPQAHSFLR-KXBFYZLASA-N 2 2 371.522 0.369 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445983676 248381358 /nfs/dbraw/zinc/38/13/58/248381358.db2.gz RKBVCWSVROVLSI-CQSZACIVSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000447438737 248418449 /nfs/dbraw/zinc/41/84/49/248418449.db2.gz HVIYRLNESSNFIU-OXQOHEQNSA-N 2 2 374.485 0.252 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000271083437 211330280 /nfs/dbraw/zinc/33/02/80/211330280.db2.gz GQCJHRGSOPGTSZ-MJGOQNOKSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000271083437 211330283 /nfs/dbraw/zinc/33/02/83/211330283.db2.gz GQCJHRGSOPGTSZ-MJGOQNOKSA-N 2 2 361.486 0.972 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000270593416 211231251 /nfs/dbraw/zinc/23/12/51/211231251.db2.gz FLUUIIQLAWLXGH-KRWDZBQOSA-N 2 2 359.474 0.382 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000270593416 211231256 /nfs/dbraw/zinc/23/12/56/211231256.db2.gz FLUUIIQLAWLXGH-KRWDZBQOSA-N 2 2 359.474 0.382 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000469274609 249974117 /nfs/dbraw/zinc/97/41/17/249974117.db2.gz ZYQSMBCQOSANSP-UHFFFAOYSA-N 2 2 355.479 0.441 20 0 FCADLP CS[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1[NH+](C)C ZINC000270415498 211198840 /nfs/dbraw/zinc/19/88/40/211198840.db2.gz BXVRNHBRWUIIOB-JKSUJKDBSA-N 2 2 363.531 0.708 20 0 FCADLP C[C@]1(n2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881383 250010109 /nfs/dbraw/zinc/01/01/09/250010109.db2.gz QRADTPYZNZQDNS-QAETUUGQSA-N 2 2 352.504 0.976 20 0 FCADLP C[C@]1(n2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881383 250010111 /nfs/dbraw/zinc/01/01/11/250010111.db2.gz QRADTPYZNZQDNS-QAETUUGQSA-N 2 2 352.504 0.976 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470003456 250019069 /nfs/dbraw/zinc/01/90/69/250019069.db2.gz LFSDAGXLVMHUNP-QGZVFWFLSA-N 2 2 369.473 0.365 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470003456 250019074 /nfs/dbraw/zinc/01/90/74/250019074.db2.gz LFSDAGXLVMHUNP-QGZVFWFLSA-N 2 2 369.473 0.365 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000469763918 250003645 /nfs/dbraw/zinc/00/36/45/250003645.db2.gz MLVPYDZALLBTAY-ZNMIVQPWSA-N 2 2 352.483 0.861 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000469763918 250003649 /nfs/dbraw/zinc/00/36/49/250003649.db2.gz MLVPYDZALLBTAY-ZNMIVQPWSA-N 2 2 352.483 0.861 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)CC1 ZINC000270383825 211193406 /nfs/dbraw/zinc/19/34/06/211193406.db2.gz KVJPMXXUSMUXJH-GOSISDBHSA-N 2 2 373.501 0.895 20 0 FCADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000471795364 250120958 /nfs/dbraw/zinc/12/09/58/250120958.db2.gz ZWUAXKLRPQGDRJ-ZWKOTPCHSA-N 2 2 358.486 0.617 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234027 250140038 /nfs/dbraw/zinc/14/00/38/250140038.db2.gz SALSFOBQRFBFSY-SFHVURJKSA-N 2 2 372.517 0.789 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234027 250140043 /nfs/dbraw/zinc/14/00/43/250140043.db2.gz SALSFOBQRFBFSY-SFHVURJKSA-N 2 2 372.517 0.789 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234027 250140047 /nfs/dbraw/zinc/14/00/47/250140047.db2.gz SALSFOBQRFBFSY-SFHVURJKSA-N 2 2 372.517 0.789 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234027 250140052 /nfs/dbraw/zinc/14/00/52/250140052.db2.gz SALSFOBQRFBFSY-SFHVURJKSA-N 2 2 372.517 0.789 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)n1C ZINC000474055793 250267480 /nfs/dbraw/zinc/26/74/80/250267480.db2.gz STWQKPVWHXGGEE-UHFFFAOYSA-N 2 2 365.526 0.701 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)n1C ZINC000474055793 250267485 /nfs/dbraw/zinc/26/74/85/250267485.db2.gz STWQKPVWHXGGEE-UHFFFAOYSA-N 2 2 365.526 0.701 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000480889835 250292506 /nfs/dbraw/zinc/29/25/06/250292506.db2.gz ADKXQSRCHQTVBF-QKPAOTATSA-N 2 2 361.490 0.797 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000480889835 250292509 /nfs/dbraw/zinc/29/25/09/250292509.db2.gz ADKXQSRCHQTVBF-QKPAOTATSA-N 2 2 361.490 0.797 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000481284758 250328819 /nfs/dbraw/zinc/32/88/19/250328819.db2.gz OYJVINXXJLIORO-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000481284758 250328823 /nfs/dbraw/zinc/32/88/23/250328823.db2.gz OYJVINXXJLIORO-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000481284758 250328827 /nfs/dbraw/zinc/32/88/27/250328827.db2.gz OYJVINXXJLIORO-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000481284758 250328829 /nfs/dbraw/zinc/32/88/29/250328829.db2.gz OYJVINXXJLIORO-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C)[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000481867967 250368474 /nfs/dbraw/zinc/36/84/74/250368474.db2.gz BZBICIFHRMJYSR-JCECYMMASA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000481867967 250368476 /nfs/dbraw/zinc/36/84/76/250368476.db2.gz BZBICIFHRMJYSR-JCECYMMASA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C)C[C@H]2C)[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000481867967 250368482 /nfs/dbraw/zinc/36/84/82/250368482.db2.gz BZBICIFHRMJYSR-JCECYMMASA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C)C[C@H]2C)[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000481867967 250368488 /nfs/dbraw/zinc/36/84/88/250368488.db2.gz BZBICIFHRMJYSR-JCECYMMASA-N 2 2 364.534 0.974 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000482002047 250374982 /nfs/dbraw/zinc/37/49/82/250374982.db2.gz ONSFJRWHGIJJOP-UHFFFAOYSA-N 2 2 360.462 0.028 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000269724479 211054870 /nfs/dbraw/zinc/05/48/70/211054870.db2.gz QUXUAXKHPWXKHG-STQMWFEESA-N 2 2 356.829 0.935 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413509811 533008742 /nfs/dbraw/zinc/00/87/42/533008742.db2.gz YMJYRYICDZOYPN-CYBMUJFWSA-N 2 2 351.476 0.571 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413509811 533008743 /nfs/dbraw/zinc/00/87/43/533008743.db2.gz YMJYRYICDZOYPN-CYBMUJFWSA-N 2 2 351.476 0.571 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054986963 208003183 /nfs/dbraw/zinc/00/31/83/208003183.db2.gz RQVIMLHINHHJBY-QGZVFWFLSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054986963 208003188 /nfs/dbraw/zinc/00/31/88/208003188.db2.gz RQVIMLHINHHJBY-QGZVFWFLSA-N 2 2 371.485 0.863 20 0 FCADLP CCN(C1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC000066884419 208020523 /nfs/dbraw/zinc/02/05/23/208020523.db2.gz UUOVYKPXPINTPQ-OAHLLOKOSA-N 2 2 374.551 0.285 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000069390997 208032149 /nfs/dbraw/zinc/03/21/49/208032149.db2.gz CMAWKNKYFGAAIJ-UHFFFAOYSA-N 2 2 358.446 0.686 20 0 FCADLP CC[NH+]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000071925836 208036348 /nfs/dbraw/zinc/03/63/48/208036348.db2.gz CZFCJQLNCRKCMA-UHFFFAOYSA-N 2 2 361.494 0.336 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000072956793 208043386 /nfs/dbraw/zinc/04/33/86/208043386.db2.gz BMGVPKUWHMLODR-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000072956793 208043393 /nfs/dbraw/zinc/04/33/93/208043393.db2.gz BMGVPKUWHMLODR-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000072956793 208043396 /nfs/dbraw/zinc/04/33/96/208043396.db2.gz BMGVPKUWHMLODR-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000072956793 208043404 /nfs/dbraw/zinc/04/34/04/208043404.db2.gz BMGVPKUWHMLODR-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000081236205 208099946 /nfs/dbraw/zinc/09/99/46/208099946.db2.gz XHOMMYQYDGCCMK-KRWDZBQOSA-N 2 2 357.458 0.699 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000081236205 208099950 /nfs/dbraw/zinc/09/99/50/208099950.db2.gz XHOMMYQYDGCCMK-KRWDZBQOSA-N 2 2 357.458 0.699 20 0 FCADLP C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000074372322 208055777 /nfs/dbraw/zinc/05/57/77/208055777.db2.gz OJRFNNSJEJGFCL-ROUUACIJSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655819 208056638 /nfs/dbraw/zinc/05/66/38/208056638.db2.gz XQCHJNOFTZFSDT-QGZVFWFLSA-N 2 2 360.506 0.797 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C[NH+]1CCN(C)CC1 ZINC000074654445 208058157 /nfs/dbraw/zinc/05/81/57/208058157.db2.gz WTXHOQGAAPJWBZ-SFHVURJKSA-N 2 2 374.533 0.792 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079312097 208087630 /nfs/dbraw/zinc/08/76/30/208087630.db2.gz CESZUWAYJPKNPY-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000079432711 208089134 /nfs/dbraw/zinc/08/91/34/208089134.db2.gz CMDZRFYWQMTVKY-UHFFFAOYSA-N 2 2 374.489 0.119 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000083231734 208104200 /nfs/dbraw/zinc/10/42/00/208104200.db2.gz BIFUQMNZGLAHED-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101647033 208164336 /nfs/dbraw/zinc/16/43/36/208164336.db2.gz XGCIVEFDXGMDBA-BBWFWOEESA-N 2 2 360.506 0.976 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101647033 208164344 /nfs/dbraw/zinc/16/43/44/208164344.db2.gz XGCIVEFDXGMDBA-BBWFWOEESA-N 2 2 360.506 0.976 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000106122178 208208501 /nfs/dbraw/zinc/20/85/01/208208501.db2.gz XQMWRWDUVGTBQX-OALUTQOASA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000106122178 208208504 /nfs/dbraw/zinc/20/85/04/208208504.db2.gz XQMWRWDUVGTBQX-OALUTQOASA-N 2 2 360.502 0.940 20 0 FCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104669333 208182829 /nfs/dbraw/zinc/18/28/29/208182829.db2.gz RCBABDGJQMLZRZ-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CNC(=O)[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104669333 208182834 /nfs/dbraw/zinc/18/28/34/208182834.db2.gz RCBABDGJQMLZRZ-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104669328 208183020 /nfs/dbraw/zinc/18/30/20/208183020.db2.gz RCBABDGJQMLZRZ-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104669328 208183025 /nfs/dbraw/zinc/18/30/25/208183025.db2.gz RCBABDGJQMLZRZ-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CN(C(=O)c1ccncc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041521 208205741 /nfs/dbraw/zinc/20/57/41/208205741.db2.gz GTUKAEMLDOWTGQ-UHFFFAOYSA-N 2 2 359.474 0.392 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000107368919 208242477 /nfs/dbraw/zinc/24/24/77/208242477.db2.gz GCSWOEKOJYHUBX-HOTGVXAUSA-N 2 2 353.511 0.569 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000107368919 208242483 /nfs/dbraw/zinc/24/24/83/208242483.db2.gz GCSWOEKOJYHUBX-HOTGVXAUSA-N 2 2 353.511 0.569 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000106529813 208225155 /nfs/dbraw/zinc/22/51/55/208225155.db2.gz RWUVPCMPWGXJLF-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109793284 208264171 /nfs/dbraw/zinc/26/41/71/208264171.db2.gz HGAHXTHKCLLWSZ-UHFFFAOYSA-N 2 2 363.443 0.806 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000110062182 208266650 /nfs/dbraw/zinc/26/66/50/208266650.db2.gz WJQJOTRPRKOKII-INIZCTEOSA-N 2 2 366.487 0.655 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000110062182 208266656 /nfs/dbraw/zinc/26/66/56/208266656.db2.gz WJQJOTRPRKOKII-INIZCTEOSA-N 2 2 366.487 0.655 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000110607872 208267414 /nfs/dbraw/zinc/26/74/14/208267414.db2.gz FKHWKEVDCIVRSR-FQEVSTJZSA-N 2 2 373.545 0.729 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000110607872 208267425 /nfs/dbraw/zinc/26/74/25/208267425.db2.gz FKHWKEVDCIVRSR-FQEVSTJZSA-N 2 2 373.545 0.729 20 0 FCADLP CC(C)[C@@H]1C(=O)NCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114949605 208320382 /nfs/dbraw/zinc/32/03/82/208320382.db2.gz FFGROUJFENWWRY-QGZVFWFLSA-N 2 2 365.522 0.711 20 0 FCADLP CS[C@H](CO)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000119871406 208369570 /nfs/dbraw/zinc/36/95/70/208369570.db2.gz XWZXDJHRLRMANV-XJKSGUPXSA-N 2 2 358.552 0.957 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCC[NH+](C)C)C[C@H](C)O1 ZINC000118094445 208348741 /nfs/dbraw/zinc/34/87/41/208348741.db2.gz WNOGBVRSDZQCKO-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCC[NH+](C)C)C[C@H](C)O1 ZINC000118094445 208348743 /nfs/dbraw/zinc/34/87/43/208348743.db2.gz WNOGBVRSDZQCKO-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000118835162 208351541 /nfs/dbraw/zinc/35/15/41/208351541.db2.gz VFYBFHFNAPFKON-LSDHHAIUSA-N 2 2 353.511 0.711 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000118835162 208351542 /nfs/dbraw/zinc/35/15/42/208351542.db2.gz VFYBFHFNAPFKON-LSDHHAIUSA-N 2 2 353.511 0.711 20 0 FCADLP CC[NH+]1CCCN(CCS(=O)(=O)CCN2CCC[N@@H+](CC)CC2)CC1 ZINC000118826436 208351868 /nfs/dbraw/zinc/35/18/68/208351868.db2.gz PLRVCILERIRFKD-UHFFFAOYSA-N 2 2 374.595 0.456 20 0 FCADLP CC[NH+]1CCCN(CCS(=O)(=O)CCN2CCC[N@H+](CC)CC2)CC1 ZINC000118826436 208351871 /nfs/dbraw/zinc/35/18/71/208351871.db2.gz PLRVCILERIRFKD-UHFFFAOYSA-N 2 2 374.595 0.456 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842007 208352073 /nfs/dbraw/zinc/35/20/73/208352073.db2.gz SIJTVFNECGWNPY-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842007 208352076 /nfs/dbraw/zinc/35/20/76/208352076.db2.gz SIJTVFNECGWNPY-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842007 208352078 /nfs/dbraw/zinc/35/20/78/208352078.db2.gz SIJTVFNECGWNPY-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842007 208352080 /nfs/dbraw/zinc/35/20/80/208352080.db2.gz SIJTVFNECGWNPY-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594928 210363364 /nfs/dbraw/zinc/36/33/64/210363364.db2.gz AXGIUIPOYALCSM-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594928 210363367 /nfs/dbraw/zinc/36/33/67/210363367.db2.gz AXGIUIPOYALCSM-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594928 210363373 /nfs/dbraw/zinc/36/33/73/210363373.db2.gz AXGIUIPOYALCSM-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594928 210363376 /nfs/dbraw/zinc/36/33/76/210363376.db2.gz AXGIUIPOYALCSM-SJORKVTESA-N 2 2 360.506 0.787 20 0 FCADLP CC(=O)N1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000176923592 209011338 /nfs/dbraw/zinc/01/13/38/209011338.db2.gz UXAKXZQEVAGYLJ-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP Cn1c2ccccc2n(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1=O ZINC000177141957 209017030 /nfs/dbraw/zinc/01/70/30/209017030.db2.gz GMUHIBNXWVDKRU-UHFFFAOYSA-N 2 2 373.501 0.872 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178803468 209061287 /nfs/dbraw/zinc/06/12/87/209061287.db2.gz HONATVDUFFKUOF-WDYCEAGBSA-N 2 2 374.485 0.372 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000413065825 533480444 /nfs/dbraw/zinc/48/04/44/533480444.db2.gz CAGOYPFRRNISMV-JKSUJKDBSA-N 2 2 370.494 0.089 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000413065825 533480451 /nfs/dbraw/zinc/48/04/51/533480451.db2.gz CAGOYPFRRNISMV-JKSUJKDBSA-N 2 2 370.494 0.089 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000412361097 533506538 /nfs/dbraw/zinc/50/65/38/533506538.db2.gz SOLAFIGSYVDKKL-AWEZNQCLSA-N 2 2 357.414 0.882 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000412361097 533506542 /nfs/dbraw/zinc/50/65/42/533506542.db2.gz SOLAFIGSYVDKKL-AWEZNQCLSA-N 2 2 357.414 0.882 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000179278702 209076089 /nfs/dbraw/zinc/07/60/89/209076089.db2.gz TXRRJCPSZYKOES-UHFFFAOYSA-N 2 2 361.494 0.334 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000177249114 229220631 /nfs/dbraw/zinc/22/06/31/229220631.db2.gz FANQPGQZBOASPC-QGZVFWFLSA-N 2 2 350.463 0.905 20 0 FCADLP CCS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000190679823 229261750 /nfs/dbraw/zinc/26/17/50/229261750.db2.gz JDPYRQXVBPTDEW-UHFFFAOYSA-N 2 2 352.504 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000410469811 230091401 /nfs/dbraw/zinc/09/14/01/230091401.db2.gz OHDXCTYPJUELKW-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000410469811 230091405 /nfs/dbraw/zinc/09/14/05/230091405.db2.gz OHDXCTYPJUELKW-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000410469731 230091984 /nfs/dbraw/zinc/09/19/84/230091984.db2.gz OAACGMUISUJXSB-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000635543013 484144207 /nfs/dbraw/zinc/14/42/07/484144207.db2.gz VDIIGPSMFITKAF-UHFFFAOYSA-N 2 2 365.478 0.512 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[NH+]3CCCC3)nc2)CC1 ZINC000538088837 484145266 /nfs/dbraw/zinc/14/52/66/484145266.db2.gz WYYBWEDMCXXHNP-UHFFFAOYSA-N 2 2 353.492 0.525 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301385661 488880014 /nfs/dbraw/zinc/88/00/14/488880014.db2.gz QDEBVJQCORCOAS-HZPDHXFCSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301385661 488880016 /nfs/dbraw/zinc/88/00/16/488880016.db2.gz QDEBVJQCORCOAS-HZPDHXFCSA-N 2 2 353.488 0.529 20 0 FCADLP CC(C)c1nc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000301969988 488885803 /nfs/dbraw/zinc/88/58/03/488885803.db2.gz QYTLMEHBONWWHM-CQSZACIVSA-N 2 2 361.494 0.980 20 0 FCADLP CC(C)c1nc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000301969988 488885805 /nfs/dbraw/zinc/88/58/05/488885805.db2.gz QYTLMEHBONWWHM-CQSZACIVSA-N 2 2 361.494 0.980 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000302469486 488889408 /nfs/dbraw/zinc/88/94/08/488889408.db2.gz CIYFSAKFGUZZPP-HZPDHXFCSA-N 2 2 363.506 0.967 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000302469486 488889411 /nfs/dbraw/zinc/88/94/11/488889411.db2.gz CIYFSAKFGUZZPP-HZPDHXFCSA-N 2 2 363.506 0.967 20 0 FCADLP COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000562796830 491189816 /nfs/dbraw/zinc/18/98/16/491189816.db2.gz IYPQLKQJFJWWTF-JKSUJKDBSA-N 2 2 361.490 0.806 20 0 FCADLP COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000562796830 491189818 /nfs/dbraw/zinc/18/98/18/491189818.db2.gz IYPQLKQJFJWWTF-JKSUJKDBSA-N 2 2 361.490 0.806 20 0 FCADLP O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000278717520 488891553 /nfs/dbraw/zinc/89/15/53/488891553.db2.gz KMOYTTFUVWRPJL-IYBDPMFKSA-N 2 2 351.472 0.211 20 0 FCADLP O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000278717520 488891554 /nfs/dbraw/zinc/89/15/54/488891554.db2.gz KMOYTTFUVWRPJL-IYBDPMFKSA-N 2 2 351.472 0.211 20 0 FCADLP COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000278879744 488902727 /nfs/dbraw/zinc/90/27/27/488902727.db2.gz XSVUBDCLLHEEND-HIFRSBDPSA-N 2 2 365.430 0.650 20 0 FCADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000327466165 488919537 /nfs/dbraw/zinc/91/95/37/488919537.db2.gz XWLPYUUBOKXCIA-NSHDSACASA-N 2 2 368.459 0.260 20 0 FCADLP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000327466165 488919538 /nfs/dbraw/zinc/91/95/38/488919538.db2.gz XWLPYUUBOKXCIA-NSHDSACASA-N 2 2 368.459 0.260 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)C2)CC1 ZINC000364208070 488935322 /nfs/dbraw/zinc/93/53/22/488935322.db2.gz QJBSHRWJYXXNBG-LLVKDONJSA-N 2 2 366.384 0.560 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)C2)CC1 ZINC000364208070 488935324 /nfs/dbraw/zinc/93/53/24/488935324.db2.gz QJBSHRWJYXXNBG-LLVKDONJSA-N 2 2 366.384 0.560 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208104 488936041 /nfs/dbraw/zinc/93/60/41/488936041.db2.gz QUVGEJIMWOSCAD-CRAIPNDOSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208104 488936044 /nfs/dbraw/zinc/93/60/44/488936044.db2.gz QUVGEJIMWOSCAD-CRAIPNDOSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000279439988 488942071 /nfs/dbraw/zinc/94/20/71/488942071.db2.gz KVOIOOVXQNTQNU-AWEZNQCLSA-N 2 2 372.429 0.385 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000279687799 488962157 /nfs/dbraw/zinc/96/21/57/488962157.db2.gz TYKGPDFZRSXTFX-IYBDPMFKSA-N 2 2 358.446 0.819 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(O)CC1 ZINC000042335257 487862121 /nfs/dbraw/zinc/86/21/21/487862121.db2.gz OKOCCISSDDUPQF-MRXNPFEDSA-N 2 2 361.486 0.980 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279756987 488966342 /nfs/dbraw/zinc/96/63/42/488966342.db2.gz QXMGIUXAYLUVMO-AGIUHOORSA-N 2 2 354.430 0.108 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279756987 488966345 /nfs/dbraw/zinc/96/63/45/488966345.db2.gz QXMGIUXAYLUVMO-AGIUHOORSA-N 2 2 354.430 0.108 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1)N1CCCC1 ZINC000045410498 487939120 /nfs/dbraw/zinc/93/91/20/487939120.db2.gz SXWINCGWKLFUCT-UHFFFAOYSA-N 2 2 363.506 0.563 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000047617951 488039370 /nfs/dbraw/zinc/03/93/70/488039370.db2.gz OAQDUQGCLBMGOD-MRXNPFEDSA-N 2 2 350.463 0.929 20 0 FCADLP CC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000050990654 488119845 /nfs/dbraw/zinc/11/98/45/488119845.db2.gz ASHYLHLXDHLDOL-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)C2CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000052699527 488178914 /nfs/dbraw/zinc/17/89/14/488178914.db2.gz YVGVJDYLMIHUKO-UHFFFAOYSA-N 2 2 374.485 0.914 20 0 FCADLP CNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000053847021 488213141 /nfs/dbraw/zinc/21/31/41/488213141.db2.gz SRGSPXGBIXEXST-UHFFFAOYSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000055015613 488234392 /nfs/dbraw/zinc/23/43/92/488234392.db2.gz OLSNTQLWDSPQTL-MRXNPFEDSA-N 2 2 366.506 0.348 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000055015613 488234395 /nfs/dbraw/zinc/23/43/95/488234395.db2.gz OLSNTQLWDSPQTL-MRXNPFEDSA-N 2 2 366.506 0.348 20 0 FCADLP C[NH+](C)CCC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000056524338 488257881 /nfs/dbraw/zinc/25/78/81/488257881.db2.gz YFZHKRAKWCFTRE-UHFFFAOYSA-N 3 2 354.539 0.877 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000554288934 491191557 /nfs/dbraw/zinc/19/15/57/491191557.db2.gz CKELDOSGPRPYQY-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000554288934 491191559 /nfs/dbraw/zinc/19/15/59/491191559.db2.gz CKELDOSGPRPYQY-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCC[NH+](CC(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917880 488340438 /nfs/dbraw/zinc/34/04/38/488340438.db2.gz SVYGUHTVHAXIGJ-UXLLHSPISA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCC[NH+](CC(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917880 488340441 /nfs/dbraw/zinc/34/04/41/488340441.db2.gz SVYGUHTVHAXIGJ-UXLLHSPISA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917880 488340443 /nfs/dbraw/zinc/34/04/43/488340443.db2.gz SVYGUHTVHAXIGJ-UXLLHSPISA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917880 488340446 /nfs/dbraw/zinc/34/04/46/488340446.db2.gz SVYGUHTVHAXIGJ-UXLLHSPISA-N 2 2 354.495 0.140 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000067412235 488350476 /nfs/dbraw/zinc/35/04/76/488350476.db2.gz RVISBRSXTHELMW-MRXNPFEDSA-N 2 2 354.495 0.062 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000067412235 488350477 /nfs/dbraw/zinc/35/04/77/488350477.db2.gz RVISBRSXTHELMW-MRXNPFEDSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000068510345 488366708 /nfs/dbraw/zinc/36/67/08/488366708.db2.gz BUAKEIWCIXEBMA-IBGZPJMESA-N 2 2 360.502 0.814 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000069142117 488371227 /nfs/dbraw/zinc/37/12/27/488371227.db2.gz DIJWEBFURCLLKV-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000069142117 488371228 /nfs/dbraw/zinc/37/12/28/488371228.db2.gz DIJWEBFURCLLKV-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000073625649 488385488 /nfs/dbraw/zinc/38/54/88/488385488.db2.gz JWTDVNDDTCWTBH-GOSISDBHSA-N 2 2 374.485 0.679 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000073625649 488385489 /nfs/dbraw/zinc/38/54/89/488385489.db2.gz JWTDVNDDTCWTBH-GOSISDBHSA-N 2 2 374.485 0.679 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000073625649 488385490 /nfs/dbraw/zinc/38/54/90/488385490.db2.gz JWTDVNDDTCWTBH-GOSISDBHSA-N 2 2 374.485 0.679 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000073625649 488385491 /nfs/dbraw/zinc/38/54/91/488385491.db2.gz JWTDVNDDTCWTBH-GOSISDBHSA-N 2 2 374.485 0.679 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000073749393 488386106 /nfs/dbraw/zinc/38/61/06/488386106.db2.gz DZNPJASZDVFJDF-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000073749393 488386107 /nfs/dbraw/zinc/38/61/07/488386107.db2.gz DZNPJASZDVFJDF-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[N@H+](C)C1CC1 ZINC000074099721 488387493 /nfs/dbraw/zinc/38/74/93/488387493.db2.gz BZUMGPZOIRJVBQ-ZIAGYGMSSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[N@@H+](C)C1CC1 ZINC000074099721 488387494 /nfs/dbraw/zinc/38/74/94/488387494.db2.gz BZUMGPZOIRJVBQ-ZIAGYGMSSA-N 2 2 351.495 0.463 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000074201711 488389093 /nfs/dbraw/zinc/38/90/93/488389093.db2.gz RRCJOQAGXLTCTB-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000074201711 488389096 /nfs/dbraw/zinc/38/90/96/488389096.db2.gz RRCJOQAGXLTCTB-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CN(C)c1nc(N)nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182977972 488391023 /nfs/dbraw/zinc/39/10/23/488391023.db2.gz VGVKXBPBONNQFU-UHFFFAOYSA-N 2 2 363.510 0.844 20 0 FCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000183675196 488393617 /nfs/dbraw/zinc/39/36/17/488393617.db2.gz WKHJKOXKEFNDEK-UHFFFAOYSA-N 2 2 355.508 0.865 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183919037 488394454 /nfs/dbraw/zinc/39/44/54/488394454.db2.gz PTHNMPLFKHSLER-INIZCTEOSA-N 2 2 366.481 0.767 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183919037 488394457 /nfs/dbraw/zinc/39/44/57/488394457.db2.gz PTHNMPLFKHSLER-INIZCTEOSA-N 2 2 366.481 0.767 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+]1C ZINC000554335522 491195198 /nfs/dbraw/zinc/19/51/98/491195198.db2.gz LZBJPSWIYQJBNQ-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+]1C ZINC000554335522 491195200 /nfs/dbraw/zinc/19/52/00/491195200.db2.gz LZBJPSWIYQJBNQ-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000569822256 491195364 /nfs/dbraw/zinc/19/53/64/491195364.db2.gz BGKUAQIAOZEPDW-OWCLPIDISA-N 2 2 352.479 0.004 20 0 FCADLP C[C@@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000075777473 488399018 /nfs/dbraw/zinc/39/90/18/488399018.db2.gz UEXJDFNRXSHNTA-MRXNPFEDSA-N 2 2 361.486 0.968 20 0 FCADLP C[C@@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000075777473 488399021 /nfs/dbraw/zinc/39/90/21/488399021.db2.gz UEXJDFNRXSHNTA-MRXNPFEDSA-N 2 2 361.486 0.968 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185733016 488402302 /nfs/dbraw/zinc/40/23/02/488402302.db2.gz KKVBYEZBQQCADD-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185733016 488402304 /nfs/dbraw/zinc/40/23/04/488402304.db2.gz KKVBYEZBQQCADD-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185733016 488402306 /nfs/dbraw/zinc/40/23/06/488402306.db2.gz KKVBYEZBQQCADD-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185733016 488402309 /nfs/dbraw/zinc/40/23/09/488402309.db2.gz KKVBYEZBQQCADD-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000076492227 488405535 /nfs/dbraw/zinc/40/55/35/488405535.db2.gz WISXRJPHFOZDMF-IRXDYDNUSA-N 2 2 352.523 0.772 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077931039 488419137 /nfs/dbraw/zinc/41/91/37/488419137.db2.gz SHFCSMUULXFHQV-QGZVFWFLSA-N 2 2 356.511 0.755 20 0 FCADLP C[C@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761160 488424175 /nfs/dbraw/zinc/42/41/75/488424175.db2.gz WVBBVSNMYJMQNY-OALUTQOASA-N 2 2 368.566 0.824 20 0 FCADLP C[C@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761160 488424178 /nfs/dbraw/zinc/42/41/78/488424178.db2.gz WVBBVSNMYJMQNY-OALUTQOASA-N 2 2 368.566 0.824 20 0 FCADLP C[C@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761160 488424180 /nfs/dbraw/zinc/42/41/80/488424180.db2.gz WVBBVSNMYJMQNY-OALUTQOASA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)C[C@H](C)N1CC[NH+]1CCOC[C@H]1C ZINC000192825600 488424785 /nfs/dbraw/zinc/42/47/85/488424785.db2.gz IIDLZBKHXVUURV-ZGXWSNOMSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCOC[C@@H]2C)C[C@H](C)N1CC[N@@H+]1CCOC[C@H]1C ZINC000192825600 488424790 /nfs/dbraw/zinc/42/47/90/488424790.db2.gz IIDLZBKHXVUURV-ZGXWSNOMSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCOC[C@@H]2C)C[C@H](C)N1CC[N@H+]1CCOC[C@H]1C ZINC000192825600 488424792 /nfs/dbraw/zinc/42/47/92/488424792.db2.gz IIDLZBKHXVUURV-ZGXWSNOMSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC1 ZINC000268515811 488426553 /nfs/dbraw/zinc/42/65/53/488426553.db2.gz DPYGNRCDOQCLRB-HUUCEWRRSA-N 2 2 358.446 0.960 20 0 FCADLP COCC[NH+]1CCN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000193346629 488426847 /nfs/dbraw/zinc/42/68/47/488426847.db2.gz PGIVAZTXAPAAND-QGZVFWFLSA-N 2 2 361.490 0.383 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(Cc2ccccn2)nn1 ZINC000080251277 488434853 /nfs/dbraw/zinc/43/48/53/488434853.db2.gz DZKXGIFVQMKBGH-UHFFFAOYSA-N 2 2 371.489 0.819 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(Cc2ccccn2)nn1 ZINC000080251277 488434854 /nfs/dbraw/zinc/43/48/54/488434854.db2.gz DZKXGIFVQMKBGH-UHFFFAOYSA-N 2 2 371.489 0.819 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000081314886 488440896 /nfs/dbraw/zinc/44/08/96/488440896.db2.gz HRSONNAVBISPDD-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000081314886 488440898 /nfs/dbraw/zinc/44/08/98/488440898.db2.gz HRSONNAVBISPDD-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000081314886 488440900 /nfs/dbraw/zinc/44/09/00/488440900.db2.gz HRSONNAVBISPDD-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000081314886 488440901 /nfs/dbraw/zinc/44/09/01/488440901.db2.gz HRSONNAVBISPDD-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP COC(=O)C1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1 ZINC000569852059 491199011 /nfs/dbraw/zinc/19/90/11/491199011.db2.gz PKCVPWQVTBAIBB-INIZCTEOSA-N 2 2 356.426 0.871 20 0 FCADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083701502 488448060 /nfs/dbraw/zinc/44/80/60/488448060.db2.gz ULCAYHSTTTWKLW-ROUUACIJSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083701502 488448062 /nfs/dbraw/zinc/44/80/62/488448062.db2.gz ULCAYHSTTTWKLW-ROUUACIJSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000083712517 488448729 /nfs/dbraw/zinc/44/87/29/488448729.db2.gz RWNOOPJPOZANOX-IRXDYDNUSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000268843164 488452988 /nfs/dbraw/zinc/45/29/88/488452988.db2.gz BDOYFGWQNMVABS-DGCLKSJQSA-N 2 2 358.284 0.964 20 0 FCADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000268843164 488452989 /nfs/dbraw/zinc/45/29/89/488452989.db2.gz BDOYFGWQNMVABS-DGCLKSJQSA-N 2 2 358.284 0.964 20 0 FCADLP CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236899618 488453749 /nfs/dbraw/zinc/45/37/49/488453749.db2.gz BDGGLTAQAJTVQR-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236899618 488453752 /nfs/dbraw/zinc/45/37/52/488453752.db2.gz BDGGLTAQAJTVQR-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(C)(C)C[NH3+])CC1 ZINC000237139859 488454609 /nfs/dbraw/zinc/45/46/09/488454609.db2.gz NJYYZLPYHBGDMC-UHFFFAOYSA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237493360 488455531 /nfs/dbraw/zinc/45/55/31/488455531.db2.gz PCAHUJJQGPWSOF-RDJZCZTQSA-N 2 2 360.458 0.078 20 0 FCADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237717214 488456949 /nfs/dbraw/zinc/45/69/49/488456949.db2.gz RKRAPXFBXIPKMW-UHFFFAOYSA-N 2 2 362.499 0.914 20 0 FCADLP CCc1nn(C)c(OC)c1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000090149617 488459953 /nfs/dbraw/zinc/45/99/53/488459953.db2.gz NLVZTNPRJPTKRC-UHFFFAOYSA-N 2 2 366.510 0.816 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245890097 488466398 /nfs/dbraw/zinc/46/63/98/488466398.db2.gz CDJFMNFSEVNUHL-FVQHAEBGSA-N 2 2 368.522 0.302 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245890097 488466401 /nfs/dbraw/zinc/46/64/01/488466401.db2.gz CDJFMNFSEVNUHL-FVQHAEBGSA-N 2 2 368.522 0.302 20 0 FCADLP NC(=O)CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245890097 488466403 /nfs/dbraw/zinc/46/64/03/488466403.db2.gz CDJFMNFSEVNUHL-FVQHAEBGSA-N 2 2 368.522 0.302 20 0 FCADLP NC(=O)CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245890097 488466405 /nfs/dbraw/zinc/46/64/05/488466405.db2.gz CDJFMNFSEVNUHL-FVQHAEBGSA-N 2 2 368.522 0.302 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246218933 488470688 /nfs/dbraw/zinc/47/06/88/488470688.db2.gz ZGOKKZHHGHKFDM-BRWVUGGUSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246218933 488470691 /nfs/dbraw/zinc/47/06/91/488470691.db2.gz ZGOKKZHHGHKFDM-BRWVUGGUSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000246342022 488471937 /nfs/dbraw/zinc/47/19/37/488471937.db2.gz OVWUNKLGBUVSPI-ROUUACIJSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000246342022 488471939 /nfs/dbraw/zinc/47/19/39/488471939.db2.gz OVWUNKLGBUVSPI-ROUUACIJSA-N 2 2 369.554 0.526 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246357667 488472318 /nfs/dbraw/zinc/47/23/18/488472318.db2.gz DSNJEMCQNRVFER-HUUCEWRRSA-N 2 2 353.511 0.711 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246357667 488472322 /nfs/dbraw/zinc/47/23/22/488472322.db2.gz DSNJEMCQNRVFER-HUUCEWRRSA-N 2 2 353.511 0.711 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905478 488477589 /nfs/dbraw/zinc/47/75/89/488477589.db2.gz VSFSWHFUVKADRT-FHWLQOOXSA-N 2 2 361.486 0.706 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905478 488477590 /nfs/dbraw/zinc/47/75/90/488477590.db2.gz VSFSWHFUVKADRT-FHWLQOOXSA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905478 488477594 /nfs/dbraw/zinc/47/75/94/488477594.db2.gz VSFSWHFUVKADRT-FHWLQOOXSA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905478 488477595 /nfs/dbraw/zinc/47/75/95/488477595.db2.gz VSFSWHFUVKADRT-FHWLQOOXSA-N 2 2 361.486 0.706 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000246979525 488479605 /nfs/dbraw/zinc/47/96/05/488479605.db2.gz PSIRWUIVNMQASO-IIAWOOMASA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000246979525 488479608 /nfs/dbraw/zinc/47/96/08/488479608.db2.gz PSIRWUIVNMQASO-IIAWOOMASA-N 2 2 363.506 0.606 20 0 FCADLP CC(=O)N[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](NC(C)=O)C3)COC2)C1 ZINC000247083318 488481404 /nfs/dbraw/zinc/48/14/04/488481404.db2.gz XDVAVJAQGVYNFD-QZTJIDSGSA-N 2 2 366.506 0.204 20 0 FCADLP CC(=O)N[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](NC(C)=O)C3)COC2)C1 ZINC000247083318 488481406 /nfs/dbraw/zinc/48/14/06/488481406.db2.gz XDVAVJAQGVYNFD-QZTJIDSGSA-N 2 2 366.506 0.204 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000247058066 488481432 /nfs/dbraw/zinc/48/14/32/488481432.db2.gz ZQDNKNGFGUUPIB-WMLDXEAASA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000247058066 488481434 /nfs/dbraw/zinc/48/14/34/488481434.db2.gz ZQDNKNGFGUUPIB-WMLDXEAASA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000247058066 488481436 /nfs/dbraw/zinc/48/14/36/488481436.db2.gz ZQDNKNGFGUUPIB-WMLDXEAASA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000247058066 488481437 /nfs/dbraw/zinc/48/14/37/488481437.db2.gz ZQDNKNGFGUUPIB-WMLDXEAASA-N 2 2 367.519 0.647 20 0 FCADLP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247249252 488483781 /nfs/dbraw/zinc/48/37/81/488483781.db2.gz NMBKXRGXDUXVHF-YJBOKZPZSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247249252 488483783 /nfs/dbraw/zinc/48/37/83/488483783.db2.gz NMBKXRGXDUXVHF-YJBOKZPZSA-N 2 2 359.470 0.996 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000269274331 488485406 /nfs/dbraw/zinc/48/54/06/488485406.db2.gz VTWQSHSARNCBLH-SFHVURJKSA-N 2 2 355.442 0.868 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000269301737 488489256 /nfs/dbraw/zinc/48/92/56/488489256.db2.gz QSZCDAMFVDRRHA-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H]1C ZINC000248367863 488495212 /nfs/dbraw/zinc/49/52/12/488495212.db2.gz UNXYBPPTEAJIIE-KBPBESRZSA-N 2 2 357.462 0.742 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)Nc3cccnc3)CC2)CC1 ZINC000102039563 488496731 /nfs/dbraw/zinc/49/67/31/488496731.db2.gz WKPULINWHZKCIZ-UHFFFAOYSA-N 2 2 374.489 0.878 20 0 FCADLP CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000554445819 491203090 /nfs/dbraw/zinc/20/30/90/491203090.db2.gz AIXNCNHDKNNHDL-GOSISDBHSA-N 2 2 367.515 0.419 20 0 FCADLP CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000554445819 491203092 /nfs/dbraw/zinc/20/30/92/491203092.db2.gz AIXNCNHDKNNHDL-GOSISDBHSA-N 2 2 367.515 0.419 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248740374 488501534 /nfs/dbraw/zinc/50/15/34/488501534.db2.gz RNGMNVWKJBKQDT-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000248740374 488501536 /nfs/dbraw/zinc/50/15/36/488501536.db2.gz RNGMNVWKJBKQDT-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000104068114 488503793 /nfs/dbraw/zinc/50/37/93/488503793.db2.gz YNJHHXGSUXXGAW-INIZCTEOSA-N 2 2 355.442 0.609 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249091518 488505801 /nfs/dbraw/zinc/50/58/01/488505801.db2.gz HCXZXKNZVYUBAM-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249091518 488505805 /nfs/dbraw/zinc/50/58/05/488505805.db2.gz HCXZXKNZVYUBAM-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000105070268 488507326 /nfs/dbraw/zinc/50/73/26/488507326.db2.gz MLEUNJSKZJSROY-UHFFFAOYSA-N 3 2 355.527 0.376 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000105070268 488507327 /nfs/dbraw/zinc/50/73/27/488507327.db2.gz MLEUNJSKZJSROY-UHFFFAOYSA-N 3 2 355.527 0.376 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@@H](CO)O1 ZINC000249286956 488508572 /nfs/dbraw/zinc/50/85/72/488508572.db2.gz LTNTUVRQFVHHJL-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@@H](CO)O1 ZINC000249286956 488508574 /nfs/dbraw/zinc/50/85/74/488508574.db2.gz LTNTUVRQFVHHJL-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@@H](CO)O1 ZINC000249286956 488508575 /nfs/dbraw/zinc/50/85/75/488508575.db2.gz LTNTUVRQFVHHJL-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@@H](CO)O1 ZINC000249286956 488508577 /nfs/dbraw/zinc/50/85/77/488508577.db2.gz LTNTUVRQFVHHJL-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000569929886 491203928 /nfs/dbraw/zinc/20/39/28/491203928.db2.gz WDRJFEYBHNQGIM-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000569929886 491203929 /nfs/dbraw/zinc/20/39/29/491203929.db2.gz WDRJFEYBHNQGIM-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000249394984 488509662 /nfs/dbraw/zinc/50/96/62/488509662.db2.gz ZPJVHEGRAPCXPX-IAGOWNOFSA-N 2 2 361.490 0.986 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1CCO ZINC000249513860 488511260 /nfs/dbraw/zinc/51/12/60/488511260.db2.gz PIVKDQHEZUUHTP-APWZRJJASA-N 2 2 361.486 0.709 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1CCO ZINC000249513860 488511262 /nfs/dbraw/zinc/51/12/62/488511262.db2.gz PIVKDQHEZUUHTP-APWZRJJASA-N 2 2 361.486 0.709 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000249650097 488513681 /nfs/dbraw/zinc/51/36/81/488513681.db2.gz YPHDAZRFMQVZNT-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCOC[C@@H]2C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000249650097 488513686 /nfs/dbraw/zinc/51/36/86/488513686.db2.gz YPHDAZRFMQVZNT-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCOC[C@@H]2C)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000249650097 488513687 /nfs/dbraw/zinc/51/36/87/488513687.db2.gz YPHDAZRFMQVZNT-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCOC[C@@H]2C)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000249650097 488513689 /nfs/dbraw/zinc/51/36/89/488513689.db2.gz YPHDAZRFMQVZNT-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000106557270 488514872 /nfs/dbraw/zinc/51/48/72/488514872.db2.gz FRRSGKYWOULFLL-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106524994 488515119 /nfs/dbraw/zinc/51/51/19/488515119.db2.gz DUFWVISHORERIY-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106524994 488515121 /nfs/dbraw/zinc/51/51/21/488515121.db2.gz DUFWVISHORERIY-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000106525406 488515132 /nfs/dbraw/zinc/51/51/32/488515132.db2.gz ABKKHSJFZYMSAF-MSOLQXFVSA-N 2 2 368.570 0.194 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435811 488516762 /nfs/dbraw/zinc/51/67/62/488516762.db2.gz BQRVYJUABDFAJA-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435811 488516765 /nfs/dbraw/zinc/51/67/65/488516765.db2.gz BQRVYJUABDFAJA-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435811 488516767 /nfs/dbraw/zinc/51/67/67/488516767.db2.gz BQRVYJUABDFAJA-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435811 488516770 /nfs/dbraw/zinc/51/67/70/488516770.db2.gz BQRVYJUABDFAJA-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261625145 488527803 /nfs/dbraw/zinc/52/78/03/488527803.db2.gz AGYLKGNUUOAYGZ-MSOLQXFVSA-N 2 2 369.469 0.794 20 0 FCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261625145 488527805 /nfs/dbraw/zinc/52/78/05/488527805.db2.gz AGYLKGNUUOAYGZ-MSOLQXFVSA-N 2 2 369.469 0.794 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705315 488531943 /nfs/dbraw/zinc/53/19/43/488531943.db2.gz PDMOJMBVGNFVLD-RYUDHWBXSA-N 2 2 350.385 0.245 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705315 488531944 /nfs/dbraw/zinc/53/19/44/488531944.db2.gz PDMOJMBVGNFVLD-RYUDHWBXSA-N 2 2 350.385 0.245 20 0 FCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000261716203 488532273 /nfs/dbraw/zinc/53/22/73/488532273.db2.gz JBANGJKHDIJAIC-HXUWFJFHSA-N 2 2 374.485 0.446 20 0 FCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000261716203 488532276 /nfs/dbraw/zinc/53/22/76/488532276.db2.gz JBANGJKHDIJAIC-HXUWFJFHSA-N 2 2 374.485 0.446 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569997277 491209082 /nfs/dbraw/zinc/20/90/82/491209082.db2.gz DONCCMOIJBJALK-AWEZNQCLSA-N 2 2 356.430 0.946 20 0 FCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000261765660 488535127 /nfs/dbraw/zinc/53/51/27/488535127.db2.gz GEDXQVRICPEATE-ZDUSSCGKSA-N 2 2 368.363 0.833 20 0 FCADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261827084 488537719 /nfs/dbraw/zinc/53/77/19/488537719.db2.gz VDDURUZYKQLCHR-HNNXBMFYSA-N 2 2 368.503 0.067 20 0 FCADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261827084 488537722 /nfs/dbraw/zinc/53/77/22/488537722.db2.gz VDDURUZYKQLCHR-HNNXBMFYSA-N 2 2 368.503 0.067 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)O1 ZINC000262048134 488547896 /nfs/dbraw/zinc/54/78/96/488547896.db2.gz QSIHRJFRYRBIGQ-SJORKVTESA-N 2 2 366.506 0.333 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569942802 491205423 /nfs/dbraw/zinc/20/54/23/491205423.db2.gz XTEAMUYMDFFGNJ-MSOLQXFVSA-N 2 2 374.485 0.473 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569942802 491205426 /nfs/dbraw/zinc/20/54/26/491205426.db2.gz XTEAMUYMDFFGNJ-MSOLQXFVSA-N 2 2 374.485 0.473 20 0 FCADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000271963075 488556049 /nfs/dbraw/zinc/55/60/49/488556049.db2.gz HAXITCHIZNNAES-AWEZNQCLSA-N 2 2 365.430 0.479 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C)C[NH3+])c2)CC1 ZINC000262322670 488563846 /nfs/dbraw/zinc/56/38/46/488563846.db2.gz CWWVBGQDOWAQHL-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000262350321 488565663 /nfs/dbraw/zinc/56/56/63/488565663.db2.gz IVYXJHPQCYIWIF-QGZVFWFLSA-N 2 2 360.458 0.069 20 0 FCADLP C[NH2+][C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357901 488565910 /nfs/dbraw/zinc/56/59/10/488565910.db2.gz JZYPQONRHPWEKT-SJORKVTESA-N 2 2 370.457 0.769 20 0 FCADLP C[NH2+][C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357901 488565911 /nfs/dbraw/zinc/56/59/11/488565911.db2.gz JZYPQONRHPWEKT-SJORKVTESA-N 2 2 370.457 0.769 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccccc1 ZINC000262382867 488567508 /nfs/dbraw/zinc/56/75/08/488567508.db2.gz NDDWUBMFYUZJLP-HNNXBMFYSA-N 2 2 353.488 0.572 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccsc1 ZINC000262394559 488567986 /nfs/dbraw/zinc/56/79/86/488567986.db2.gz OQCXUQOSJTVCSK-CYBMUJFWSA-N 2 2 359.517 0.634 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c2)CC1 ZINC000262543601 488576781 /nfs/dbraw/zinc/57/67/81/488576781.db2.gz SZWIGVBBQYFWSE-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC000554513696 491206992 /nfs/dbraw/zinc/20/69/92/491206992.db2.gz XADZZHCRVBETFK-WMLDXEAASA-N 2 2 370.457 0.388 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000122953866 488581645 /nfs/dbraw/zinc/58/16/45/488581645.db2.gz AUAUKGNFMLPPOX-UHFFFAOYSA-N 2 2 374.551 0.142 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000122953866 488581646 /nfs/dbraw/zinc/58/16/46/488581646.db2.gz AUAUKGNFMLPPOX-UHFFFAOYSA-N 2 2 374.551 0.142 20 0 FCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000262679122 488585884 /nfs/dbraw/zinc/58/58/84/488585884.db2.gz SDIICQRZTBUIRV-ZBFHGGJFSA-N 2 2 351.472 0.233 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123619184 488586984 /nfs/dbraw/zinc/58/69/84/488586984.db2.gz STWJRNDDAXNAMX-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)c1cccs1 ZINC000272573856 488589693 /nfs/dbraw/zinc/58/96/93/488589693.db2.gz UFIQQXOSHRFMOO-CQSZACIVSA-N 2 2 361.533 0.993 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262756621 488590595 /nfs/dbraw/zinc/59/05/95/488590595.db2.gz DMUWZUQPGZAEHN-LJQANCHMSA-N 2 2 365.441 0.886 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2)CC1 ZINC000124395775 488592372 /nfs/dbraw/zinc/59/23/72/488592372.db2.gz YFZDYFYYRXVYJU-OALUTQOASA-N 2 2 358.486 0.984 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2)CC1 ZINC000124395775 488592373 /nfs/dbraw/zinc/59/23/73/488592373.db2.gz YFZDYFYYRXVYJU-OALUTQOASA-N 2 2 358.486 0.984 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000262788313 488593161 /nfs/dbraw/zinc/59/31/61/488593161.db2.gz NIMWMYKYCKYRBH-AWEZNQCLSA-N 2 2 366.437 0.064 20 0 FCADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125244896 488599389 /nfs/dbraw/zinc/59/93/89/488599389.db2.gz OGASBQNQQCDNGL-OAHLLOKOSA-N 2 2 354.401 0.635 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000125255304 488599477 /nfs/dbraw/zinc/59/94/77/488599477.db2.gz CYPBCELERKHHCO-OALUTQOASA-N 2 2 373.545 0.949 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000272851162 488611097 /nfs/dbraw/zinc/61/10/97/488611097.db2.gz DGINVQUTVHDCHU-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C=O)CC2)CC1 ZINC000272851162 488611098 /nfs/dbraw/zinc/61/10/98/488611098.db2.gz DGINVQUTVHDCHU-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP CC(C)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000126757864 488612048 /nfs/dbraw/zinc/61/20/48/488612048.db2.gz CFTVUCYNYMSYSU-UHFFFAOYSA-N 2 2 368.503 0.901 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000126757864 488612049 /nfs/dbraw/zinc/61/20/49/488612049.db2.gz CFTVUCYNYMSYSU-UHFFFAOYSA-N 2 2 368.503 0.901 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(=O)NC1CC1 ZINC000127007997 488614218 /nfs/dbraw/zinc/61/42/18/488614218.db2.gz UHXGMGXPQOZBLK-MAUKXSAKSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127007997 488614219 /nfs/dbraw/zinc/61/42/19/488614219.db2.gz UHXGMGXPQOZBLK-MAUKXSAKSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127007997 488614221 /nfs/dbraw/zinc/61/42/21/488614221.db2.gz UHXGMGXPQOZBLK-MAUKXSAKSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127007997 488614222 /nfs/dbraw/zinc/61/42/22/488614222.db2.gz UHXGMGXPQOZBLK-MAUKXSAKSA-N 2 2 358.486 0.976 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000273093815 488631245 /nfs/dbraw/zinc/63/12/45/488631245.db2.gz KCACKJVCNFOXOW-INIZCTEOSA-N 2 2 353.438 0.676 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000263866430 488632670 /nfs/dbraw/zinc/63/26/70/488632670.db2.gz COJKWSRZSLCDAK-UHFFFAOYSA-N 2 2 352.410 0.987 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000264076243 488647119 /nfs/dbraw/zinc/64/71/19/488647119.db2.gz NNHXVJLCUOVZGH-OAHLLOKOSA-N 2 2 350.467 0.467 20 0 FCADLP C[C@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+]1CCSCC1 ZINC000133026833 488656813 /nfs/dbraw/zinc/65/68/13/488656813.db2.gz VDGJUXFPFBQRKB-MRXNPFEDSA-N 2 2 368.547 0.580 20 0 FCADLP C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[NH+]1CCSCC1 ZINC000133026833 488656815 /nfs/dbraw/zinc/65/68/15/488656815.db2.gz VDGJUXFPFBQRKB-MRXNPFEDSA-N 2 2 368.547 0.580 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522933 488660483 /nfs/dbraw/zinc/66/04/83/488660483.db2.gz FTTSYFWFEBYLBE-UYAOXDASSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522933 488660485 /nfs/dbraw/zinc/66/04/85/488660485.db2.gz FTTSYFWFEBYLBE-UYAOXDASSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522933 488660486 /nfs/dbraw/zinc/66/04/86/488660486.db2.gz FTTSYFWFEBYLBE-UYAOXDASSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522933 488660488 /nfs/dbraw/zinc/66/04/88/488660488.db2.gz FTTSYFWFEBYLBE-UYAOXDASSA-N 2 2 374.529 0.887 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000133881751 488662564 /nfs/dbraw/zinc/66/25/64/488662564.db2.gz HMUKZLKAUILRJS-QGZVFWFLSA-N 2 2 365.522 0.857 20 0 FCADLP Cn1cc(-n2cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc2=O)cn1 ZINC000274041920 488680448 /nfs/dbraw/zinc/68/04/48/488680448.db2.gz RHVNSUYTMZFBNK-UHFFFAOYSA-N 2 2 372.473 0.327 20 0 FCADLP O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000274062252 488681313 /nfs/dbraw/zinc/68/13/13/488681313.db2.gz AIVDZOFBKCBZKL-IRXDYDNUSA-N 2 2 365.499 0.601 20 0 FCADLP O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000274062252 488681316 /nfs/dbraw/zinc/68/13/16/488681316.db2.gz AIVDZOFBKCBZKL-IRXDYDNUSA-N 2 2 365.499 0.601 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cn2c1 ZINC000264525497 488682274 /nfs/dbraw/zinc/68/22/74/488682274.db2.gz XFZFHYWBQYYRJY-HNNXBMFYSA-N 2 2 358.446 0.782 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cn2c1 ZINC000264525497 488682275 /nfs/dbraw/zinc/68/22/75/488682275.db2.gz XFZFHYWBQYYRJY-HNNXBMFYSA-N 2 2 358.446 0.782 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274145573 488686202 /nfs/dbraw/zinc/68/62/02/488686202.db2.gz BGGJLGGDORJEQI-GOSISDBHSA-N 2 2 367.515 0.903 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274145573 488686205 /nfs/dbraw/zinc/68/62/05/488686205.db2.gz BGGJLGGDORJEQI-GOSISDBHSA-N 2 2 367.515 0.903 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150760728 488699728 /nfs/dbraw/zinc/69/97/28/488699728.db2.gz SSWFFCDYTRAXGI-KRWDZBQOSA-N 2 2 374.485 0.585 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150760728 488699731 /nfs/dbraw/zinc/69/97/31/488699731.db2.gz SSWFFCDYTRAXGI-KRWDZBQOSA-N 2 2 374.485 0.585 20 0 FCADLP COc1cccc([C@H](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)c1 ZINC000264713905 488702255 /nfs/dbraw/zinc/70/22/55/488702255.db2.gz DZDJYBJGPWQBOZ-WMZOPIPTSA-N 2 2 363.506 0.843 20 0 FCADLP COc1cccc([C@H](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)[NH+](C)C)c1 ZINC000264713905 488702258 /nfs/dbraw/zinc/70/22/58/488702258.db2.gz DZDJYBJGPWQBOZ-WMZOPIPTSA-N 2 2 363.506 0.843 20 0 FCADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151217919 488702901 /nfs/dbraw/zinc/70/29/01/488702901.db2.gz OVKLHPHLEYIBRF-LLVKDONJSA-N 2 2 359.352 0.980 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000151665929 488708594 /nfs/dbraw/zinc/70/85/94/488708594.db2.gz ZKJZWHFUHIIMJZ-CVEARBPZSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000151665929 488708596 /nfs/dbraw/zinc/70/85/96/488708596.db2.gz ZKJZWHFUHIIMJZ-CVEARBPZSA-N 2 2 359.536 0.875 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264806062 488714465 /nfs/dbraw/zinc/71/44/65/488714465.db2.gz FUDSODSKGNLMBU-UHFFFAOYSA-N 2 2 365.503 0.766 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000152513109 488718805 /nfs/dbraw/zinc/71/88/05/488718805.db2.gz HOHBRGPUXQRQSN-ZACQAIPSSA-N 2 2 353.511 0.127 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000152513109 488718807 /nfs/dbraw/zinc/71/88/07/488718807.db2.gz HOHBRGPUXQRQSN-ZACQAIPSSA-N 2 2 353.511 0.127 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000274619967 488723496 /nfs/dbraw/zinc/72/34/96/488723496.db2.gz FPPFFKQHICEDQP-GOSISDBHSA-N 2 2 364.490 0.501 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000274619967 488723498 /nfs/dbraw/zinc/72/34/98/488723498.db2.gz FPPFFKQHICEDQP-GOSISDBHSA-N 2 2 364.490 0.501 20 0 FCADLP CC[NH+](CCO)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000274619967 488723500 /nfs/dbraw/zinc/72/35/00/488723500.db2.gz FPPFFKQHICEDQP-GOSISDBHSA-N 2 2 364.490 0.501 20 0 FCADLP CC[NH+](CCO)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000274619967 488723502 /nfs/dbraw/zinc/72/35/02/488723502.db2.gz FPPFFKQHICEDQP-GOSISDBHSA-N 2 2 364.490 0.501 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616840 488723538 /nfs/dbraw/zinc/72/35/38/488723538.db2.gz QENDKQAOABQOPC-ZWKOTPCHSA-N 2 2 373.501 0.941 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616840 488723540 /nfs/dbraw/zinc/72/35/40/488723540.db2.gz QENDKQAOABQOPC-ZWKOTPCHSA-N 2 2 373.501 0.941 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@]2(CCOC2)C1)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153451886 488731452 /nfs/dbraw/zinc/73/14/52/488731452.db2.gz DQSWDFGRPQKLMG-HDICACEKSA-N 2 2 372.531 0.626 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@]2(CCOC2)C1)CC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153451886 488731455 /nfs/dbraw/zinc/73/14/55/488731455.db2.gz DQSWDFGRPQKLMG-HDICACEKSA-N 2 2 372.531 0.626 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@]2(CCOC2)C1)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153451886 488731457 /nfs/dbraw/zinc/73/14/57/488731457.db2.gz DQSWDFGRPQKLMG-HDICACEKSA-N 2 2 372.531 0.626 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@]2(CCOC2)C1)CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153451886 488731460 /nfs/dbraw/zinc/73/14/60/488731460.db2.gz DQSWDFGRPQKLMG-HDICACEKSA-N 2 2 372.531 0.626 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810620 488735058 /nfs/dbraw/zinc/73/50/58/488735058.db2.gz JVNMIGDDIASRIY-DZGCQCFKSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810620 488735061 /nfs/dbraw/zinc/73/50/61/488735061.db2.gz JVNMIGDDIASRIY-DZGCQCFKSA-N 2 2 354.520 0.235 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266849785 488736924 /nfs/dbraw/zinc/73/69/24/488736924.db2.gz QJLCEGMVBUYNCF-IBGZPJMESA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266849785 488736925 /nfs/dbraw/zinc/73/69/25/488736925.db2.gz QJLCEGMVBUYNCF-IBGZPJMESA-N 2 2 359.518 0.410 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266854748 488737522 /nfs/dbraw/zinc/73/75/22/488737522.db2.gz SNZACNVTUVGYMK-UHFFFAOYSA-N 2 2 374.485 0.365 20 0 FCADLP CS[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1[NH+](C)C ZINC000274885440 488740573 /nfs/dbraw/zinc/74/05/73/488740573.db2.gz IINLHZQGAUUHKW-QWHCGFSZSA-N 2 2 350.492 0.237 20 0 FCADLP C[C@H](CS(C)(=O)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000266918483 488744085 /nfs/dbraw/zinc/74/40/85/488744085.db2.gz HFJZVWVEKGHGRI-OAHLLOKOSA-N 2 2 368.503 0.391 20 0 FCADLP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC[NH2+]C1 ZINC000570154740 491220176 /nfs/dbraw/zinc/22/01/76/491220176.db2.gz IZCAGGQOMGIGRN-HXUWFJFHSA-N 2 2 374.485 0.915 20 0 FCADLP CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000570156672 491220611 /nfs/dbraw/zinc/22/06/11/491220611.db2.gz KAKRRZAKFUZQOO-UDCKQINGSA-N 2 2 352.479 0.793 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000155999551 488761226 /nfs/dbraw/zinc/76/12/26/488761226.db2.gz FIGGMNKGDDYDQA-SFHVURJKSA-N 2 2 374.533 0.346 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)O1 ZINC000275122672 488763628 /nfs/dbraw/zinc/76/36/28/488763628.db2.gz JCKCRKYKEUPNTH-SYMSYNOKSA-N 2 2 374.445 0.337 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000156530001 488765749 /nfs/dbraw/zinc/76/57/49/488765749.db2.gz ACBCLWWOKHOUCS-KRWDZBQOSA-N 2 2 367.538 0.959 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000156530001 488765750 /nfs/dbraw/zinc/76/57/50/488765750.db2.gz ACBCLWWOKHOUCS-KRWDZBQOSA-N 2 2 367.538 0.959 20 0 FCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000157000298 488768842 /nfs/dbraw/zinc/76/88/42/488768842.db2.gz HJPIFDCRSUAZPJ-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000157000298 488768846 /nfs/dbraw/zinc/76/88/46/488768846.db2.gz HJPIFDCRSUAZPJ-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000298 488768848 /nfs/dbraw/zinc/76/88/48/488768848.db2.gz HJPIFDCRSUAZPJ-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000298 488768850 /nfs/dbraw/zinc/76/88/50/488768850.db2.gz HJPIFDCRSUAZPJ-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563147499 491221142 /nfs/dbraw/zinc/22/11/42/491221142.db2.gz GJHALTUCPIZMKY-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563147499 491221144 /nfs/dbraw/zinc/22/11/44/491221144.db2.gz GJHALTUCPIZMKY-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000554721918 491221248 /nfs/dbraw/zinc/22/12/48/491221248.db2.gz UJMJKQFWSBNHSM-LSDHHAIUSA-N 2 2 356.430 0.764 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 ZINC000267285324 488774128 /nfs/dbraw/zinc/77/41/28/488774128.db2.gz UDYIKMAYWQPGAN-QGZVFWFLSA-N 2 2 360.458 0.918 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000267312668 488776723 /nfs/dbraw/zinc/77/67/23/488776723.db2.gz BCVYJWAQMGDJLM-INIZCTEOSA-N 2 2 370.457 0.388 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000267312668 488776725 /nfs/dbraw/zinc/77/67/25/488776725.db2.gz BCVYJWAQMGDJLM-INIZCTEOSA-N 2 2 370.457 0.388 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000158708729 488780130 /nfs/dbraw/zinc/78/01/30/488780130.db2.gz VSFSWHFUVKADRT-QRVBRYPASA-N 2 2 361.486 0.706 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000158708729 488780131 /nfs/dbraw/zinc/78/01/31/488780131.db2.gz VSFSWHFUVKADRT-QRVBRYPASA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000158708729 488780132 /nfs/dbraw/zinc/78/01/32/488780132.db2.gz VSFSWHFUVKADRT-QRVBRYPASA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000158708729 488780133 /nfs/dbraw/zinc/78/01/33/488780133.db2.gz VSFSWHFUVKADRT-QRVBRYPASA-N 2 2 361.486 0.706 20 0 FCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000570127512 491218799 /nfs/dbraw/zinc/21/87/99/491218799.db2.gz QHUGWLVDAJZRRJ-MRXNPFEDSA-N 2 2 361.490 0.895 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000162216655 488801484 /nfs/dbraw/zinc/80/14/84/488801484.db2.gz HNCYWFMOEUYUSQ-IEBWSBKVSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162216655 488801487 /nfs/dbraw/zinc/80/14/87/488801487.db2.gz HNCYWFMOEUYUSQ-IEBWSBKVSA-N 2 2 361.486 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000162270431 488801541 /nfs/dbraw/zinc/80/15/41/488801541.db2.gz ZHOHLLRIOPRTNG-IBGZPJMESA-N 2 2 372.513 0.959 20 0 FCADLP C[N@H+]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000162270431 488801543 /nfs/dbraw/zinc/80/15/43/488801543.db2.gz ZHOHLLRIOPRTNG-IBGZPJMESA-N 2 2 372.513 0.959 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000163493471 488807922 /nfs/dbraw/zinc/80/79/22/488807922.db2.gz WOOPDXCTHJBDJX-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000167841571 488812635 /nfs/dbraw/zinc/81/26/35/488812635.db2.gz JPXVRRJGVWKYLF-OAHLLOKOSA-N 2 2 362.449 0.842 20 0 FCADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000168950979 488812782 /nfs/dbraw/zinc/81/27/82/488812782.db2.gz MXYCJHDAKRBYID-KRWDZBQOSA-N 2 2 373.505 0.703 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170900620 488817798 /nfs/dbraw/zinc/81/77/98/488817798.db2.gz LTCMHSHAFLVLRN-OAHLLOKOSA-N 2 2 357.462 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170900620 488817800 /nfs/dbraw/zinc/81/78/00/488817800.db2.gz LTCMHSHAFLVLRN-OAHLLOKOSA-N 2 2 357.462 0.886 20 0 FCADLP CC[C@@H](C)NC(=O)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000171648958 488824941 /nfs/dbraw/zinc/82/49/41/488824941.db2.gz COBKAGYJAWMILR-OAHLLOKOSA-N 2 2 355.527 0.959 20 0 FCADLP CC[C@@H](C)NC(=O)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000171648958 488824942 /nfs/dbraw/zinc/82/49/42/488824942.db2.gz COBKAGYJAWMILR-OAHLLOKOSA-N 2 2 355.527 0.959 20 0 FCADLP Cn1cncc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000171967420 488829260 /nfs/dbraw/zinc/82/92/60/488829260.db2.gz JLSBOVQBIHIAOV-OAHLLOKOSA-N 2 2 357.462 0.805 20 0 FCADLP CCc1n[nH]c(=O)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1CC ZINC000268088990 488838876 /nfs/dbraw/zinc/83/88/76/488838876.db2.gz ACJBFVCBEPEOHJ-UHFFFAOYSA-N 2 2 363.506 0.993 20 0 FCADLP CCc1n[nH]c(=O)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1CC ZINC000268088990 488838878 /nfs/dbraw/zinc/83/88/78/488838878.db2.gz ACJBFVCBEPEOHJ-UHFFFAOYSA-N 2 2 363.506 0.993 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000173291468 488842168 /nfs/dbraw/zinc/84/21/68/488842168.db2.gz BEZZFIKESRMFKB-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000173291468 488842169 /nfs/dbraw/zinc/84/21/69/488842169.db2.gz BEZZFIKESRMFKB-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H]1C ZINC000173291468 488842171 /nfs/dbraw/zinc/84/21/71/488842171.db2.gz BEZZFIKESRMFKB-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174132609 488847660 /nfs/dbraw/zinc/84/76/60/488847660.db2.gz SJVHDENLSCZPAY-KRWDZBQOSA-N 2 2 371.489 0.254 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000174545227 488849857 /nfs/dbraw/zinc/84/98/57/488849857.db2.gz UPCBSTCYYGGYDK-MRXNPFEDSA-N 2 2 371.485 0.684 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)CC1 ZINC000174545227 488849858 /nfs/dbraw/zinc/84/98/58/488849858.db2.gz UPCBSTCYYGGYDK-MRXNPFEDSA-N 2 2 371.485 0.684 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)c2)CC1 ZINC000174672575 488850736 /nfs/dbraw/zinc/85/07/36/488850736.db2.gz JTQLQYDDBZVBFC-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000175737751 488855211 /nfs/dbraw/zinc/85/52/11/488855211.db2.gz VFGKBLQDMKFMBK-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000175737751 488855212 /nfs/dbraw/zinc/85/52/12/488855212.db2.gz VFGKBLQDMKFMBK-HOTGVXAUSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000176339317 488858222 /nfs/dbraw/zinc/85/82/22/488858222.db2.gz KGHPCKZYVQQGEA-ZWKOTPCHSA-N 2 2 367.538 0.234 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@]3(O)CCSC3)CC2)CC1 ZINC000176289466 488858249 /nfs/dbraw/zinc/85/82/49/488858249.db2.gz ZTUBCSXBMQVEPL-QGZVFWFLSA-N 2 2 356.536 0.712 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000176598454 488858517 /nfs/dbraw/zinc/85/85/17/488858517.db2.gz WECKHFGXKPKJIW-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000177138804 488859155 /nfs/dbraw/zinc/85/91/55/488859155.db2.gz QAOFFXXTKMYYIV-MRXNPFEDSA-N 2 2 350.507 0.777 20 0 FCADLP CC[C@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000177574253 488859647 /nfs/dbraw/zinc/85/96/47/488859647.db2.gz SIDRKSCTWOPWPW-IBGZPJMESA-N 2 2 362.474 0.583 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000178974264 488860784 /nfs/dbraw/zinc/86/07/84/488860784.db2.gz SJICJXFTNDFUQK-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCOC[C@@H]2CCOC2)CC1 ZINC000179311992 488861094 /nfs/dbraw/zinc/86/10/94/488861094.db2.gz ZQYOEYRKOMIWER-INIZCTEOSA-N 2 2 356.511 0.755 20 0 FCADLP O=C(C[NH2+]C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166458 488864115 /nfs/dbraw/zinc/86/41/15/488864115.db2.gz IDZPVDZXOUSHKY-OAHLLOKOSA-N 2 2 360.462 0.150 20 0 FCADLP O=C(C[NH2+]C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166458 488864116 /nfs/dbraw/zinc/86/41/16/488864116.db2.gz IDZPVDZXOUSHKY-OAHLLOKOSA-N 2 2 360.462 0.150 20 0 FCADLP Cc1ccc([C@H](CNC(=O)C(=O)NCc2[nH+]ccn2C)[NH+]2CCCC2)o1 ZINC000288431432 488980889 /nfs/dbraw/zinc/98/08/89/488980889.db2.gz RVXRESVDHSVTQW-AWEZNQCLSA-N 2 2 359.430 0.891 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000364677953 488985059 /nfs/dbraw/zinc/98/50/59/488985059.db2.gz OYIYIMIQDYDYFT-OALUTQOASA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000364677953 488985063 /nfs/dbraw/zinc/98/50/63/488985063.db2.gz OYIYIMIQDYDYFT-OALUTQOASA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000364677953 488985067 /nfs/dbraw/zinc/98/50/67/488985067.db2.gz OYIYIMIQDYDYFT-OALUTQOASA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000364677953 488985068 /nfs/dbraw/zinc/98/50/68/488985068.db2.gz OYIYIMIQDYDYFT-OALUTQOASA-N 2 2 361.486 0.980 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000570234058 491226403 /nfs/dbraw/zinc/22/64/03/491226403.db2.gz RVDHWCKSRQSSPH-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000570234058 491226407 /nfs/dbraw/zinc/22/64/07/491226407.db2.gz RVDHWCKSRQSSPH-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@]3(CO)CCOC3)CC2)c1 ZINC000329301919 488991725 /nfs/dbraw/zinc/99/17/25/488991725.db2.gz NFANBSWLJVLVLA-HXUWFJFHSA-N 2 2 361.486 0.722 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@]3(CO)CCOC3)CC2)c1 ZINC000329301919 488991729 /nfs/dbraw/zinc/99/17/29/488991729.db2.gz NFANBSWLJVLVLA-HXUWFJFHSA-N 2 2 361.486 0.722 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000280695645 489025340 /nfs/dbraw/zinc/02/53/40/489025340.db2.gz GPUFFOSAALFACZ-HXUWFJFHSA-N 2 2 358.486 0.789 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000280695645 489025344 /nfs/dbraw/zinc/02/53/44/489025344.db2.gz GPUFFOSAALFACZ-HXUWFJFHSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929881 489029741 /nfs/dbraw/zinc/02/97/41/489029741.db2.gz DWRGPHOVQPVOQK-GDBMZVCRSA-N 2 2 357.458 0.329 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929881 489029744 /nfs/dbraw/zinc/02/97/44/489029744.db2.gz DWRGPHOVQPVOQK-GDBMZVCRSA-N 2 2 357.458 0.329 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000281242939 489062515 /nfs/dbraw/zinc/06/25/15/489062515.db2.gz UPDPQIQMYQJEHU-FQEVSTJZSA-N 2 2 374.485 0.915 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000281242939 489062519 /nfs/dbraw/zinc/06/25/19/489062519.db2.gz UPDPQIQMYQJEHU-FQEVSTJZSA-N 2 2 374.485 0.915 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394178 489071660 /nfs/dbraw/zinc/07/16/60/489071660.db2.gz QZNVMKUMYYEOCJ-DLBZAZTESA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394178 489071661 /nfs/dbraw/zinc/07/16/61/489071661.db2.gz QZNVMKUMYYEOCJ-DLBZAZTESA-N 2 2 365.522 0.806 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570294998 491231714 /nfs/dbraw/zinc/23/17/14/491231714.db2.gz XFTRAGDASOKHBF-CMPLNLGQSA-N 2 2 361.368 0.413 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570294998 491231716 /nfs/dbraw/zinc/23/17/16/491231716.db2.gz XFTRAGDASOKHBF-CMPLNLGQSA-N 2 2 361.368 0.413 20 0 FCADLP C[C@H]1OCC[C@]12C[N@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666783 489097844 /nfs/dbraw/zinc/09/78/44/489097844.db2.gz AEIQPMHLTKZRLR-MDZRGWNJSA-N 2 2 361.490 0.997 20 0 FCADLP C[C@H]1OCC[C@]12C[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666783 489097847 /nfs/dbraw/zinc/09/78/47/489097847.db2.gz AEIQPMHLTKZRLR-MDZRGWNJSA-N 2 2 361.490 0.997 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000365678646 489099358 /nfs/dbraw/zinc/09/93/58/489099358.db2.gz QJEBWEBYWHRPAC-SFHVURJKSA-N 2 2 354.539 0.972 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000365678646 489099360 /nfs/dbraw/zinc/09/93/60/489099360.db2.gz QJEBWEBYWHRPAC-SFHVURJKSA-N 2 2 354.539 0.972 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365678646 489099363 /nfs/dbraw/zinc/09/93/63/489099363.db2.gz QJEBWEBYWHRPAC-SFHVURJKSA-N 2 2 354.539 0.972 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365678646 489099365 /nfs/dbraw/zinc/09/93/65/489099365.db2.gz QJEBWEBYWHRPAC-SFHVURJKSA-N 2 2 354.539 0.972 20 0 FCADLP CN(CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CC[NH+](C)C ZINC000365678646 489099368 /nfs/dbraw/zinc/09/93/68/489099368.db2.gz QJEBWEBYWHRPAC-SFHVURJKSA-N 2 2 354.539 0.972 20 0 FCADLP CN(CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CC[NH+](C)C ZINC000365678646 489099370 /nfs/dbraw/zinc/09/93/70/489099370.db2.gz QJEBWEBYWHRPAC-SFHVURJKSA-N 2 2 354.539 0.972 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000563269565 491234314 /nfs/dbraw/zinc/23/43/14/491234314.db2.gz VUDOBZFDXWFPNM-CABCVRRESA-N 2 2 365.503 0.740 20 0 FCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000563268567 491234329 /nfs/dbraw/zinc/23/43/29/491234329.db2.gz MFBGKBDXXYUPHV-LJQANCHMSA-N 2 2 367.490 0.800 20 0 FCADLP O=C1NCCN1CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290277624 489127426 /nfs/dbraw/zinc/12/74/26/489127426.db2.gz LZLZGSUFQCTKJD-SFHVURJKSA-N 2 2 372.517 0.941 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3CCc4ccccc4C3=O)C2)CC1 ZINC000366053032 489139278 /nfs/dbraw/zinc/13/92/78/489139278.db2.gz LXOGZULFOYAGQP-KRWDZBQOSA-N 2 2 370.497 0.970 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3CCc4ccccc4C3=O)C2)CC1 ZINC000366053032 489139280 /nfs/dbraw/zinc/13/92/80/489139280.db2.gz LXOGZULFOYAGQP-KRWDZBQOSA-N 2 2 370.497 0.970 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc2)CC1 ZINC000366053848 489139405 /nfs/dbraw/zinc/13/94/05/489139405.db2.gz TUJDDZUPRBOAHM-VQTJNVASSA-N 2 2 372.513 0.908 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445481 489141051 /nfs/dbraw/zinc/14/10/51/489141051.db2.gz KTVZMFSFIOPRRM-JKSUJKDBSA-N 2 2 359.474 0.577 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445481 489141056 /nfs/dbraw/zinc/14/10/56/489141056.db2.gz KTVZMFSFIOPRRM-JKSUJKDBSA-N 2 2 359.474 0.577 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445460 489141124 /nfs/dbraw/zinc/14/11/24/489141124.db2.gz KTVZMFSFIOPRRM-CVEARBPZSA-N 2 2 359.474 0.577 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445460 489141128 /nfs/dbraw/zinc/14/11/28/489141128.db2.gz KTVZMFSFIOPRRM-CVEARBPZSA-N 2 2 359.474 0.577 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366097985 489145051 /nfs/dbraw/zinc/14/50/51/489145051.db2.gz WBBNFCAOMBFBDW-MOPGFXCFSA-N 2 2 359.470 0.821 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366097985 489145052 /nfs/dbraw/zinc/14/50/52/489145052.db2.gz WBBNFCAOMBFBDW-MOPGFXCFSA-N 2 2 359.470 0.821 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366097986 489145098 /nfs/dbraw/zinc/14/50/98/489145098.db2.gz WBBNFCAOMBFBDW-OALUTQOASA-N 2 2 359.470 0.821 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366097986 489145099 /nfs/dbraw/zinc/14/50/99/489145099.db2.gz WBBNFCAOMBFBDW-OALUTQOASA-N 2 2 359.470 0.821 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCOCCO)CC2)cc1 ZINC000282273907 489150799 /nfs/dbraw/zinc/15/07/99/489150799.db2.gz DMUHHBDWTCLLOS-UHFFFAOYSA-N 2 2 365.474 0.280 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCOCCO)CC2)cc1 ZINC000282273907 489150803 /nfs/dbraw/zinc/15/08/03/489150803.db2.gz DMUHHBDWTCLLOS-UHFFFAOYSA-N 2 2 365.474 0.280 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000290593511 489151793 /nfs/dbraw/zinc/15/17/93/489151793.db2.gz QXNDLLSQQGHBGA-INIZCTEOSA-N 2 2 357.458 0.331 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000290608719 489152479 /nfs/dbraw/zinc/15/24/79/489152479.db2.gz RQYXZQGECSULIW-OWCLPIDISA-N 2 2 357.458 0.329 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000290608719 489152481 /nfs/dbraw/zinc/15/24/81/489152481.db2.gz RQYXZQGECSULIW-OWCLPIDISA-N 2 2 357.458 0.329 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@H](C[NH+]4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000282335414 489155422 /nfs/dbraw/zinc/15/54/22/489155422.db2.gz VMZWLTOZWSPWJH-MRXNPFEDSA-N 2 2 374.489 0.304 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000290790139 489165526 /nfs/dbraw/zinc/16/55/26/489165526.db2.gz QGYSXQIRFIPNML-QGZVFWFLSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000290790139 489165529 /nfs/dbraw/zinc/16/55/29/489165529.db2.gz QGYSXQIRFIPNML-QGZVFWFLSA-N 2 2 371.485 0.863 20 0 FCADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCCOC2)O1 ZINC000366480916 489187625 /nfs/dbraw/zinc/18/76/25/489187625.db2.gz FDUIQYRPQHCFGX-LPHOPBHVSA-N 2 2 361.490 0.998 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCCOC2)O1 ZINC000366480916 489187628 /nfs/dbraw/zinc/18/76/28/489187628.db2.gz FDUIQYRPQHCFGX-LPHOPBHVSA-N 2 2 361.490 0.998 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000282966845 489202462 /nfs/dbraw/zinc/20/24/62/489202462.db2.gz GCSPYFWPKMTFHG-KRWDZBQOSA-N 3 2 366.510 0.189 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000282966845 489202466 /nfs/dbraw/zinc/20/24/66/489202466.db2.gz GCSPYFWPKMTFHG-KRWDZBQOSA-N 3 2 366.510 0.189 20 0 FCADLP CN(C)c1nc(N)nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000368826618 489222508 /nfs/dbraw/zinc/22/25/08/489222508.db2.gz WJHGZOCURHXPPY-UHFFFAOYSA-N 2 2 362.526 0.369 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690128 489224893 /nfs/dbraw/zinc/22/48/93/489224893.db2.gz FERKQZXRVYQHEN-PBHICJAKSA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690128 489224896 /nfs/dbraw/zinc/22/48/96/489224896.db2.gz FERKQZXRVYQHEN-PBHICJAKSA-N 2 2 357.458 0.701 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369356839 489230547 /nfs/dbraw/zinc/23/05/47/489230547.db2.gz ZADGKGKRSAREJA-CVEARBPZSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356839 489230551 /nfs/dbraw/zinc/23/05/51/489230551.db2.gz ZADGKGKRSAREJA-CVEARBPZSA-N 2 2 353.511 0.569 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283287732 489239495 /nfs/dbraw/zinc/23/94/95/489239495.db2.gz HCDZQSWBUDBHAU-KRWDZBQOSA-N 2 2 355.442 0.780 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000283287732 489239498 /nfs/dbraw/zinc/23/94/98/489239498.db2.gz HCDZQSWBUDBHAU-KRWDZBQOSA-N 2 2 355.442 0.780 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000297862559 489253334 /nfs/dbraw/zinc/25/33/34/489253334.db2.gz NDVZOJRHJRJTOA-IAGOWNOFSA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000297862559 489253338 /nfs/dbraw/zinc/25/33/38/489253338.db2.gz NDVZOJRHJRJTOA-IAGOWNOFSA-N 2 2 371.485 0.673 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C[C@H]21 ZINC000333003172 489255509 /nfs/dbraw/zinc/25/55/09/489255509.db2.gz LVLHZZCPNZVCOF-BRSBDYLESA-N 2 2 366.506 0.479 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C[C@H]21 ZINC000333003172 489255510 /nfs/dbraw/zinc/25/55/10/489255510.db2.gz LVLHZZCPNZVCOF-BRSBDYLESA-N 2 2 366.506 0.479 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000297887744 489257817 /nfs/dbraw/zinc/25/78/17/489257817.db2.gz QNDGUGPCYFAZQL-UHFFFAOYSA-N 2 2 367.453 0.878 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000297917719 489261464 /nfs/dbraw/zinc/26/14/64/489261464.db2.gz QCPRQBPJSSLWCN-UHFFFAOYSA-N 2 2 370.457 0.513 20 0 FCADLP COc1c(N)[nH+]cnc1N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462790 491242493 /nfs/dbraw/zinc/24/24/93/491242493.db2.gz LKKONPWXYPZTPV-OAHLLOKOSA-N 2 2 362.478 0.838 20 0 FCADLP COc1c(N)[nH+]cnc1N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462790 491242495 /nfs/dbraw/zinc/24/24/95/491242495.db2.gz LKKONPWXYPZTPV-OAHLLOKOSA-N 2 2 362.478 0.838 20 0 FCADLP COc1c(N)nc[nH+]c1N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462790 491242498 /nfs/dbraw/zinc/24/24/98/491242498.db2.gz LKKONPWXYPZTPV-OAHLLOKOSA-N 2 2 362.478 0.838 20 0 FCADLP COc1c(N)nc[nH+]c1N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462790 491242501 /nfs/dbraw/zinc/24/25/01/491242501.db2.gz LKKONPWXYPZTPV-OAHLLOKOSA-N 2 2 362.478 0.838 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000283539103 489271667 /nfs/dbraw/zinc/27/16/67/489271667.db2.gz MLALGAFMEQFEAS-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C2 ZINC000570476515 491243530 /nfs/dbraw/zinc/24/35/30/491243530.db2.gz OYHIBVVDBJBRQC-GXTWGEPZSA-N 2 2 352.504 0.595 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000283571021 489276159 /nfs/dbraw/zinc/27/61/59/489276159.db2.gz MURSUXWILJXOTO-UHFFFAOYSA-N 2 2 373.457 0.299 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000570475833 491243629 /nfs/dbraw/zinc/24/36/29/491243629.db2.gz YRZCFSHZYDEBLH-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000570475833 491243631 /nfs/dbraw/zinc/24/36/31/491243631.db2.gz YRZCFSHZYDEBLH-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000298027673 489279996 /nfs/dbraw/zinc/27/99/96/489279996.db2.gz BHWJKSXJABGVJY-UHFFFAOYSA-N 2 2 359.430 0.921 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C=O)CC1 ZINC000298029024 489280416 /nfs/dbraw/zinc/28/04/16/489280416.db2.gz FSBVLGDXPLCHSV-IEBWSBKVSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C=O)CC1 ZINC000298029024 489280419 /nfs/dbraw/zinc/28/04/19/489280419.db2.gz FSBVLGDXPLCHSV-IEBWSBKVSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029024 489280421 /nfs/dbraw/zinc/28/04/21/489280421.db2.gz FSBVLGDXPLCHSV-IEBWSBKVSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029024 489280424 /nfs/dbraw/zinc/28/04/24/489280424.db2.gz FSBVLGDXPLCHSV-IEBWSBKVSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000298043201 489281620 /nfs/dbraw/zinc/28/16/20/489281620.db2.gz PEQNTBXLOQEGHV-HOTGVXAUSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000298043201 489281622 /nfs/dbraw/zinc/28/16/22/489281622.db2.gz PEQNTBXLOQEGHV-HOTGVXAUSA-N 2 2 359.474 0.671 20 0 FCADLP Cn1cc(N2CC[C@@H](NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)cn1 ZINC000370077557 489314231 /nfs/dbraw/zinc/31/42/31/489314231.db2.gz MESOQSZPMSAUNN-OAHLLOKOSA-N 2 2 363.510 0.324 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000298368186 489320412 /nfs/dbraw/zinc/32/04/12/489320412.db2.gz CKXCFLQYYCIAEM-UHFFFAOYSA-N 2 2 357.458 0.984 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563450227 491248264 /nfs/dbraw/zinc/24/82/64/491248264.db2.gz BMDKUJDWNNEPSD-ZIAGYGMSSA-N 2 2 356.430 0.298 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184902 489325270 /nfs/dbraw/zinc/32/52/70/489325270.db2.gz OFUQRUZUWCMSLR-HUUCEWRRSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184902 489325271 /nfs/dbraw/zinc/32/52/71/489325271.db2.gz OFUQRUZUWCMSLR-HUUCEWRRSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000370321764 489344628 /nfs/dbraw/zinc/34/46/28/489344628.db2.gz AWRZUQBLCKUHKG-MHORFTMASA-N 2 2 352.523 0.723 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144105 489376981 /nfs/dbraw/zinc/37/69/81/489376981.db2.gz ZDGRQCPEACJAOZ-DOTOQJQBSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144105 489376984 /nfs/dbraw/zinc/37/69/84/489376984.db2.gz ZDGRQCPEACJAOZ-DOTOQJQBSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144106 489377222 /nfs/dbraw/zinc/37/72/22/489377222.db2.gz ZDGRQCPEACJAOZ-NVXWUHKLSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144106 489377225 /nfs/dbraw/zinc/37/72/25/489377225.db2.gz ZDGRQCPEACJAOZ-NVXWUHKLSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000370616334 489383077 /nfs/dbraw/zinc/38/30/77/489383077.db2.gz RNSQTLHBALLEAE-SJLPKXTDSA-N 2 2 371.489 0.719 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000286403949 489387838 /nfs/dbraw/zinc/38/78/38/489387838.db2.gz OEXRXLHAJBVQSW-UHFFFAOYSA-N 2 2 373.457 0.568 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370780886 489401498 /nfs/dbraw/zinc/40/14/98/489401498.db2.gz WKWTVARAROQNRZ-SFHVURJKSA-N 2 2 373.501 0.527 20 0 FCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362880929 489403343 /nfs/dbraw/zinc/40/33/43/489403343.db2.gz QBHZVWGAQWSYBB-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP Cc1nn(C)c(C)c1C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821661 489407234 /nfs/dbraw/zinc/40/72/34/489407234.db2.gz VOYZXKRPCCGNRG-MRXNPFEDSA-N 2 2 361.490 0.847 20 0 FCADLP Cc1nn(C)c(C)c1C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821661 489407235 /nfs/dbraw/zinc/40/72/35/489407235.db2.gz VOYZXKRPCCGNRG-MRXNPFEDSA-N 2 2 361.490 0.847 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000286599402 489408196 /nfs/dbraw/zinc/40/81/96/489408196.db2.gz WVSLMHROFQEVKH-HZPDHXFCSA-N 2 2 361.490 0.743 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000286599407 489408845 /nfs/dbraw/zinc/40/88/45/489408845.db2.gz WVSLMHROFQEVKH-JKSUJKDBSA-N 2 2 361.490 0.743 20 0 FCADLP CN(C(=O)c1ccccc1-n1cnnn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838683 489409241 /nfs/dbraw/zinc/40/92/41/489409241.db2.gz GNYCLYUOCOQDLH-MRXNPFEDSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccccc1-n1cnnn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838683 489409244 /nfs/dbraw/zinc/40/92/44/489409244.db2.gz GNYCLYUOCOQDLH-MRXNPFEDSA-N 2 2 369.473 0.903 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299141663 489409900 /nfs/dbraw/zinc/40/99/00/489409900.db2.gz JBEDLQAXPGULJS-LJQANCHMSA-N 2 2 358.486 0.931 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299141663 489409904 /nfs/dbraw/zinc/40/99/04/489409904.db2.gz JBEDLQAXPGULJS-LJQANCHMSA-N 2 2 358.486 0.931 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753850 489424812 /nfs/dbraw/zinc/42/48/12/489424812.db2.gz RUDLTPVATVDIHE-HOCLYGCPSA-N 2 2 355.442 0.673 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753850 489424815 /nfs/dbraw/zinc/42/48/15/489424815.db2.gz RUDLTPVATVDIHE-HOCLYGCPSA-N 2 2 355.442 0.673 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)n1C ZINC000286947095 489445424 /nfs/dbraw/zinc/44/54/24/489445424.db2.gz NMYRLDORBQKQLP-UHFFFAOYSA-N 2 2 362.478 0.189 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000563614324 491258253 /nfs/dbraw/zinc/25/82/53/491258253.db2.gz BPCNBFNGZDITPH-DLBZAZTESA-N 2 2 365.522 0.570 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363278198 489448204 /nfs/dbraw/zinc/44/82/04/489448204.db2.gz KFJNVKBEDWANBI-ZWKOTPCHSA-N 2 2 373.501 0.261 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000563617444 491258788 /nfs/dbraw/zinc/25/87/88/491258788.db2.gz DRRPTNAXOUCQED-XWSJACJDSA-N 3 2 356.555 0.320 20 0 FCADLP Cc1nc(SCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000363350353 489455627 /nfs/dbraw/zinc/45/56/27/489455627.db2.gz XEHMUXVMGWTEBT-AWEZNQCLSA-N 2 2 352.508 0.832 20 0 FCADLP Cc1nc(SCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000363350353 489455631 /nfs/dbraw/zinc/45/56/31/489455631.db2.gz XEHMUXVMGWTEBT-AWEZNQCLSA-N 2 2 352.508 0.832 20 0 FCADLP Cc1nnc(SCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000363350353 489455633 /nfs/dbraw/zinc/45/56/33/489455633.db2.gz XEHMUXVMGWTEBT-AWEZNQCLSA-N 2 2 352.508 0.832 20 0 FCADLP Cc1nnc(SCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000363350353 489455636 /nfs/dbraw/zinc/45/56/36/489455636.db2.gz XEHMUXVMGWTEBT-AWEZNQCLSA-N 2 2 352.508 0.832 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCO1 ZINC000563559415 491254943 /nfs/dbraw/zinc/25/49/43/491254943.db2.gz DXSLBFIQSHZRGS-ROUUACIJSA-N 2 2 362.474 0.819 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000363443109 489467585 /nfs/dbraw/zinc/46/75/85/489467585.db2.gz CBMUGXNXIDMHJV-AEFFLSMTSA-N 2 2 351.539 0.996 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300599 489475044 /nfs/dbraw/zinc/47/50/44/489475044.db2.gz QENDCPBNTZIWRR-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300599 489475045 /nfs/dbraw/zinc/47/50/45/489475045.db2.gz QENDCPBNTZIWRR-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(=O)OC ZINC000371299959 489475526 /nfs/dbraw/zinc/47/55/26/489475526.db2.gz LXFPJVGPIBQOAX-FDPKGLCPSA-N 2 2 369.506 0.874 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(=O)OC ZINC000371299959 489475528 /nfs/dbraw/zinc/47/55/28/489475528.db2.gz LXFPJVGPIBQOAX-FDPKGLCPSA-N 2 2 369.506 0.874 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580173 489480655 /nfs/dbraw/zinc/48/06/55/489480655.db2.gz LKXASJZRSLWVRM-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580173 489480657 /nfs/dbraw/zinc/48/06/57/489480657.db2.gz LKXASJZRSLWVRM-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580173 489480659 /nfs/dbraw/zinc/48/06/59/489480659.db2.gz LKXASJZRSLWVRM-CVEARBPZSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580173 489480661 /nfs/dbraw/zinc/48/06/61/489480661.db2.gz LKXASJZRSLWVRM-CVEARBPZSA-N 2 2 353.511 0.175 20 0 FCADLP COCCCOCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371409092 489483206 /nfs/dbraw/zinc/48/32/06/489483206.db2.gz KCIFRVHRBSDRFN-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP COCCCOCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371409092 489483208 /nfs/dbraw/zinc/48/32/08/489483208.db2.gz KCIFRVHRBSDRFN-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423092953 489492480 /nfs/dbraw/zinc/49/24/80/489492480.db2.gz DZEKYAOGXLJMPM-ZFWWWQNUSA-N 2 2 359.467 0.803 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676695 491257107 /nfs/dbraw/zinc/25/71/07/491257107.db2.gz UZLVNDBRAIXCKZ-SFNKJDCFSA-N 2 2 355.523 0.547 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676695 491257110 /nfs/dbraw/zinc/25/71/10/491257110.db2.gz UZLVNDBRAIXCKZ-SFNKJDCFSA-N 2 2 355.523 0.547 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000570709446 491259454 /nfs/dbraw/zinc/25/94/54/491259454.db2.gz ZPJIPPJQDLFFDW-BZUAXINKSA-N 2 2 357.458 0.316 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423240654 489506573 /nfs/dbraw/zinc/50/65/73/489506573.db2.gz CNEXKLLZYDYYKZ-FQEVSTJZSA-N 2 2 374.485 0.537 20 0 FCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000415189653 489513199 /nfs/dbraw/zinc/51/31/99/489513199.db2.gz PZWSMEOYHWUAPZ-KRWDZBQOSA-N 2 2 352.483 1.100 20 0 FCADLP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000423304273 489513473 /nfs/dbraw/zinc/51/34/73/489513473.db2.gz NROPYXHDEDNRED-OAHLLOKOSA-N 2 2 358.486 0.873 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423301665 489513553 /nfs/dbraw/zinc/51/35/53/489513553.db2.gz UJQMTLSKOKXKRH-INIZCTEOSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423301665 489513555 /nfs/dbraw/zinc/51/35/55/489513555.db2.gz UJQMTLSKOKXKRH-INIZCTEOSA-N 2 2 358.486 0.917 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000415371122 489515899 /nfs/dbraw/zinc/51/58/99/489515899.db2.gz RQTOZLHHXGHAQE-UHFFFAOYSA-N 2 2 361.490 0.488 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[C@@H]1[NH3+] ZINC000415468265 489524002 /nfs/dbraw/zinc/52/40/02/489524002.db2.gz VPEOCUMABSRDFC-QAPCUYQASA-N 2 2 373.501 0.568 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415582254 489533122 /nfs/dbraw/zinc/53/31/22/489533122.db2.gz UECHGMFDJXAMET-RDJZCZTQSA-N 2 2 373.501 0.568 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)CC1 ZINC000451985020 489535651 /nfs/dbraw/zinc/53/56/51/489535651.db2.gz DMFUCSFJONPUHR-INIZCTEOSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)CC1 ZINC000451985020 489535654 /nfs/dbraw/zinc/53/56/54/489535654.db2.gz DMFUCSFJONPUHR-INIZCTEOSA-N 2 2 353.511 0.711 20 0 FCADLP COC[C@]1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]1 ZINC000415701431 489542167 /nfs/dbraw/zinc/54/21/67/489542167.db2.gz BLWCMKZSCFNEQI-GOSISDBHSA-N 2 2 357.414 0.696 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000570745450 491261707 /nfs/dbraw/zinc/26/17/07/491261707.db2.gz VYPRJYZVVNBLOB-CQSZACIVSA-N 2 2 352.398 0.890 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000425951024 489550416 /nfs/dbraw/zinc/55/04/16/489550416.db2.gz OCLQOJPDGGOVCS-UHFFFAOYSA-N 2 2 369.510 0.078 20 0 FCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]2C1 ZINC000425996372 489552469 /nfs/dbraw/zinc/55/24/69/489552469.db2.gz PDYHNNZZKYRGJC-CALCHBBNSA-N 2 2 365.499 0.701 20 0 FCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]2C1 ZINC000425996372 489552471 /nfs/dbraw/zinc/55/24/71/489552471.db2.gz PDYHNNZZKYRGJC-CALCHBBNSA-N 2 2 365.499 0.701 20 0 FCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]2C1 ZINC000425996372 489552473 /nfs/dbraw/zinc/55/24/73/489552473.db2.gz PDYHNNZZKYRGJC-CALCHBBNSA-N 2 2 365.499 0.701 20 0 FCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3S(=O)(=O)N3CCOCC3)C[C@@H]2C1 ZINC000425996372 489552474 /nfs/dbraw/zinc/55/24/74/489552474.db2.gz PDYHNNZZKYRGJC-CALCHBBNSA-N 2 2 365.499 0.701 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000415958194 489565941 /nfs/dbraw/zinc/56/59/41/489565941.db2.gz WJBSXBXCXLGFFQ-OAHLLOKOSA-N 2 2 363.466 0.119 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000415958194 489565942 /nfs/dbraw/zinc/56/59/42/489565942.db2.gz WJBSXBXCXLGFFQ-OAHLLOKOSA-N 2 2 363.466 0.119 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000416142350 489570976 /nfs/dbraw/zinc/57/09/76/489570976.db2.gz CHNLLYSVXCGPHA-HRCADAONSA-N 2 2 361.552 0.930 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000416142350 489570980 /nfs/dbraw/zinc/57/09/80/489570980.db2.gz CHNLLYSVXCGPHA-HRCADAONSA-N 2 2 361.552 0.930 20 0 FCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372360148 489575549 /nfs/dbraw/zinc/57/55/49/489575549.db2.gz XCEWFIXRBXXORI-LJQANCHMSA-N 2 2 358.486 0.525 20 0 FCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372360148 489575552 /nfs/dbraw/zinc/57/55/52/489575552.db2.gz XCEWFIXRBXXORI-LJQANCHMSA-N 2 2 358.486 0.525 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555666790 491264087 /nfs/dbraw/zinc/26/40/87/491264087.db2.gz QZNWPOZZGALXOX-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555670996 491264424 /nfs/dbraw/zinc/26/44/24/491264424.db2.gz WPCJCDAKMJGJRM-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000563709650 491265002 /nfs/dbraw/zinc/26/50/02/491265002.db2.gz SLQDGXQZVYBTLZ-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000563709650 491265004 /nfs/dbraw/zinc/26/50/04/491265004.db2.gz SLQDGXQZVYBTLZ-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000455423574 489592094 /nfs/dbraw/zinc/59/20/94/489592094.db2.gz AMDOSOJOTUEFID-HOTGVXAUSA-N 2 2 353.511 0.665 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000427282913 489600860 /nfs/dbraw/zinc/60/08/60/489600860.db2.gz WDQZJLXHSCZDNL-MRXNPFEDSA-N 2 2 374.485 0.569 20 0 FCADLP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000456161463 489608601 /nfs/dbraw/zinc/60/86/01/489608601.db2.gz CZJKTDVVEVUJJI-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000456167325 489609124 /nfs/dbraw/zinc/60/91/24/489609124.db2.gz MVZRLXWKNQMDJC-GOEBONIOSA-N 2 2 365.499 0.798 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000456167325 489609126 /nfs/dbraw/zinc/60/91/26/489609126.db2.gz MVZRLXWKNQMDJC-GOEBONIOSA-N 2 2 365.499 0.798 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416802221 489630149 /nfs/dbraw/zinc/63/01/49/489630149.db2.gz AZNNCGWSULARED-GOSISDBHSA-N 2 2 361.490 0.092 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416802221 489630152 /nfs/dbraw/zinc/63/01/52/489630152.db2.gz AZNNCGWSULARED-GOSISDBHSA-N 2 2 361.490 0.092 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999033 489631310 /nfs/dbraw/zinc/63/13/10/489631310.db2.gz SICBDFMSLPGZIF-SFHVURJKSA-N 2 2 362.474 0.330 20 0 FCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999033 489631312 /nfs/dbraw/zinc/63/13/12/489631312.db2.gz SICBDFMSLPGZIF-SFHVURJKSA-N 2 2 362.474 0.330 20 0 FCADLP [NH3+]CC[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)F ZINC000417255871 489645649 /nfs/dbraw/zinc/64/56/49/489645649.db2.gz FNNAPWNJOUJUPZ-RISCZKNCSA-N 2 2 352.451 0.476 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457470127 489646677 /nfs/dbraw/zinc/64/66/77/489646677.db2.gz VHSTXIBPNNZDQU-UHFFFAOYSA-N 2 2 372.517 0.979 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527679 489647970 /nfs/dbraw/zinc/64/79/70/489647970.db2.gz TXZOJQQAJOAIJB-IXDOHACOSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527679 489647972 /nfs/dbraw/zinc/64/79/72/489647972.db2.gz TXZOJQQAJOAIJB-IXDOHACOSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527679 489647974 /nfs/dbraw/zinc/64/79/74/489647974.db2.gz TXZOJQQAJOAIJB-IXDOHACOSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527679 489647976 /nfs/dbraw/zinc/64/79/76/489647976.db2.gz TXZOJQQAJOAIJB-IXDOHACOSA-N 2 2 354.495 0.506 20 0 FCADLP CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417321008 489648296 /nfs/dbraw/zinc/64/82/96/489648296.db2.gz RQGKRUGPELTIRB-MRXNPFEDSA-N 2 2 350.463 0.934 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417367149 489649357 /nfs/dbraw/zinc/64/93/57/489649357.db2.gz LNRMZXBQQFEGBG-HOTGVXAUSA-N 2 2 374.489 0.547 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417368400 489649382 /nfs/dbraw/zinc/64/93/82/489649382.db2.gz OMLVHEQPLVSVJT-OAHLLOKOSA-N 2 2 360.462 0.253 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCO1 ZINC000417429255 489652550 /nfs/dbraw/zinc/65/25/50/489652550.db2.gz UWUOBJGIEKFSTH-OAHLLOKOSA-N 2 2 369.510 0.126 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCO1 ZINC000417429255 489652552 /nfs/dbraw/zinc/65/25/52/489652552.db2.gz UWUOBJGIEKFSTH-OAHLLOKOSA-N 2 2 369.510 0.126 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C2)CC1 ZINC000372944606 489654324 /nfs/dbraw/zinc/65/43/24/489654324.db2.gz XVLSGMGQDACABO-NSHDSACASA-N 2 2 364.412 0.728 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C2)CC1 ZINC000372944606 489654326 /nfs/dbraw/zinc/65/43/26/489654326.db2.gz XVLSGMGQDACABO-NSHDSACASA-N 2 2 364.412 0.728 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000417675005 489661129 /nfs/dbraw/zinc/66/11/29/489661129.db2.gz BOMJBQJSKUAHDG-INIZCTEOSA-N 2 2 370.457 0.869 20 0 FCADLP CC(C)N1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000428839295 489666042 /nfs/dbraw/zinc/66/60/42/489666042.db2.gz JFSPNZYHVLNYLO-MRXNPFEDSA-N 2 2 365.522 0.854 20 0 FCADLP CCOC1CC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373099027 489668486 /nfs/dbraw/zinc/66/84/86/489668486.db2.gz LYPZXHHRWLETSY-MXWWQKGMSA-N 2 2 354.495 0.384 20 0 FCADLP CCOC1CC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373099027 489668489 /nfs/dbraw/zinc/66/84/89/489668489.db2.gz LYPZXHHRWLETSY-MXWWQKGMSA-N 2 2 354.495 0.384 20 0 FCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956969 489673064 /nfs/dbraw/zinc/67/30/64/489673064.db2.gz TZWSUEBNYPQJBS-CVEARBPZSA-N 2 2 370.881 0.674 20 0 FCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956969 489673067 /nfs/dbraw/zinc/67/30/67/489673067.db2.gz TZWSUEBNYPQJBS-CVEARBPZSA-N 2 2 370.881 0.674 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1(CO)CCC1 ZINC000429230711 489678110 /nfs/dbraw/zinc/67/81/10/489678110.db2.gz LZAWWVHJIIZEMQ-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1(CO)CCC1 ZINC000429230711 489678112 /nfs/dbraw/zinc/67/81/12/489678112.db2.gz LZAWWVHJIIZEMQ-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCN(C)CC1 ZINC000458440211 489683649 /nfs/dbraw/zinc/68/36/49/489683649.db2.gz MOKLEXLBFVHTIM-YESZJQIVSA-N 2 2 353.511 0.032 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCN(C)CC1 ZINC000458440211 489683652 /nfs/dbraw/zinc/68/36/52/489683652.db2.gz MOKLEXLBFVHTIM-YESZJQIVSA-N 2 2 353.511 0.032 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418284676 489687867 /nfs/dbraw/zinc/68/78/67/489687867.db2.gz CLVFRLXTXPLKII-KRWDZBQOSA-N 2 2 360.506 0.765 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458605521 489691025 /nfs/dbraw/zinc/69/10/25/489691025.db2.gz XAFCBQGUZLURHZ-CALCHBBNSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458605521 489691030 /nfs/dbraw/zinc/69/10/30/489691030.db2.gz XAFCBQGUZLURHZ-CALCHBBNSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000458593010 489691079 /nfs/dbraw/zinc/69/10/79/489691079.db2.gz MAJUQHZHCTZHAT-IYBDPMFKSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000458593010 489691081 /nfs/dbraw/zinc/69/10/81/489691081.db2.gz MAJUQHZHCTZHAT-IYBDPMFKSA-N 3 2 355.527 0.109 20 0 FCADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CCCCC1 ZINC000418361423 489693682 /nfs/dbraw/zinc/69/36/82/489693682.db2.gz KUWGQOCBQWKMCQ-KRWDZBQOSA-N 2 2 365.522 0.844 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000469283818 489700136 /nfs/dbraw/zinc/70/01/36/489700136.db2.gz SZKPHFPBFRZIIV-UHFFFAOYSA-N 2 2 360.462 1.564 20 0 FCADLP O=C(NCC[NH2+]C1CCCCCC1)N(CCO)CC[NH+]1CCOCC1 ZINC000418469418 489700444 /nfs/dbraw/zinc/70/04/44/489700444.db2.gz UEXZSFISWIZPKV-UHFFFAOYSA-N 2 2 356.511 0.635 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(=O)N1CCCC1 ZINC000429829099 489703322 /nfs/dbraw/zinc/70/33/22/489703322.db2.gz GOUPUEMTLKITRQ-KRWDZBQOSA-N 2 2 355.442 0.540 20 0 FCADLP CN(C(=O)CC1(C)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000469367456 489704072 /nfs/dbraw/zinc/70/40/72/489704072.db2.gz NJNNZYXVQFZONH-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP COCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCO[C@@H]1C ZINC000489406557 489710167 /nfs/dbraw/zinc/71/01/67/489710167.db2.gz QBRCVTMNNZVDRU-CVEARBPZSA-N 2 2 357.495 0.339 20 0 FCADLP COCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCO[C@@H]1C ZINC000489406557 489710169 /nfs/dbraw/zinc/71/01/69/489710169.db2.gz QBRCVTMNNZVDRU-CVEARBPZSA-N 2 2 357.495 0.339 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000469549017 489711982 /nfs/dbraw/zinc/71/19/82/489711982.db2.gz GCHMWHWANGKYEY-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000418642398 489714454 /nfs/dbraw/zinc/71/44/54/489714454.db2.gz OFRMCZCBKSFFJS-INIZCTEOSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418707611 489719300 /nfs/dbraw/zinc/71/93/00/489719300.db2.gz BRQROSMTEGBYLK-ILXRZTDVSA-N 2 2 351.495 0.498 20 0 FCADLP [NH3+][C@H]1CCC[C@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000418732742 489720215 /nfs/dbraw/zinc/72/02/15/489720215.db2.gz UUGULLYULGAHNS-HOTGVXAUSA-N 2 2 351.495 0.454 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418772587 489724765 /nfs/dbraw/zinc/72/47/65/489724765.db2.gz WWQOIPBRZJDGAE-INIZCTEOSA-N 2 2 365.478 0.027 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418772590 489724790 /nfs/dbraw/zinc/72/47/90/489724790.db2.gz WWQOIPBRZJDGAE-MRXNPFEDSA-N 2 2 365.478 0.027 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)cn21 ZINC000418793510 489728605 /nfs/dbraw/zinc/72/86/05/489728605.db2.gz OITNORMWEOCYTB-UHFFFAOYSA-N 2 2 355.442 0.861 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000489798461 489728952 /nfs/dbraw/zinc/72/89/52/489728952.db2.gz XUTMGFNBXMZBNH-OAHLLOKOSA-N 2 2 368.428 0.884 20 0 FCADLP COC(=O)[C@@H]([NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1(OC)CCC1 ZINC000459367371 489729560 /nfs/dbraw/zinc/72/95/60/489729560.db2.gz DOXZBCHHRODEOP-OAHLLOKOSA-N 2 2 356.463 0.256 20 0 FCADLP C[C@H]1NC(=O)N(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434854 489732737 /nfs/dbraw/zinc/73/27/37/489732737.db2.gz VDOYMBYHSPCTDS-DNVCBOLYSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1NC(=O)N(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434854 489732738 /nfs/dbraw/zinc/73/27/38/489732738.db2.gz VDOYMBYHSPCTDS-DNVCBOLYSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1NC(=O)N(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459434854 489732742 /nfs/dbraw/zinc/73/27/42/489732742.db2.gz VDOYMBYHSPCTDS-DNVCBOLYSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1NC(=O)N(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459434854 489732745 /nfs/dbraw/zinc/73/27/45/489732745.db2.gz VDOYMBYHSPCTDS-DNVCBOLYSA-N 2 2 360.458 0.496 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1SC ZINC000459459828 489733284 /nfs/dbraw/zinc/73/32/84/489733284.db2.gz ICPFPHYNXUGQAU-LJIGWXMPSA-N 2 2 357.520 0.418 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000489885166 489733476 /nfs/dbraw/zinc/73/34/76/489733476.db2.gz PNYFCEHXDXNHLB-HXUWFJFHSA-N 3 2 371.529 0.310 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000489885164 489733577 /nfs/dbraw/zinc/73/35/77/489733577.db2.gz PNYFCEHXDXNHLB-FQEVSTJZSA-N 3 2 371.529 0.310 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489938047 489737079 /nfs/dbraw/zinc/73/70/79/489737079.db2.gz VXUCRIAZHUYFOH-AZUAARDMSA-N 2 2 371.529 0.703 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418824918 489739842 /nfs/dbraw/zinc/73/98/42/489739842.db2.gz DPSNKXOLGZXGNA-GOSISDBHSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418824918 489739846 /nfs/dbraw/zinc/73/98/46/489739846.db2.gz DPSNKXOLGZXGNA-GOSISDBHSA-N 2 2 374.485 0.201 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000418824574 489740121 /nfs/dbraw/zinc/74/01/21/489740121.db2.gz ANQFGBJFMVAAFS-MRXNPFEDSA-N 2 2 366.506 0.204 20 0 FCADLP CN1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCC1=O ZINC000430524858 489744050 /nfs/dbraw/zinc/74/40/50/489744050.db2.gz MRYHHLCSZNOCDB-RDJZCZTQSA-N 2 2 355.442 0.538 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000430568517 489747505 /nfs/dbraw/zinc/74/75/05/489747505.db2.gz CUDWDQZUKPFDQX-OAHLLOKOSA-N 2 2 350.463 0.869 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000430568517 489747507 /nfs/dbraw/zinc/74/75/07/489747507.db2.gz CUDWDQZUKPFDQX-OAHLLOKOSA-N 2 2 350.463 0.869 20 0 FCADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430594551 489749206 /nfs/dbraw/zinc/74/92/06/489749206.db2.gz KVGWLBSSPRONHA-ZBFHGGJFSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000555852220 491276379 /nfs/dbraw/zinc/27/63/79/491276379.db2.gz AHNAPALEFVMUNB-IKGGRYGDSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000555852220 491276381 /nfs/dbraw/zinc/27/63/81/491276381.db2.gz AHNAPALEFVMUNB-IKGGRYGDSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000418840919 489751409 /nfs/dbraw/zinc/75/14/09/489751409.db2.gz YMKTVPQFHRAXMR-NJAFHUGGSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000418840919 489751411 /nfs/dbraw/zinc/75/14/11/489751411.db2.gz YMKTVPQFHRAXMR-NJAFHUGGSA-N 2 2 374.485 0.199 20 0 FCADLP CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000570962230 491276646 /nfs/dbraw/zinc/27/66/46/491276646.db2.gz OPPRZANERFUIHY-OAHLLOKOSA-N 2 2 353.488 0.513 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000418846061 489753403 /nfs/dbraw/zinc/75/34/03/489753403.db2.gz QDGRWNUTLCQWIE-HNNXBMFYSA-N 2 2 355.442 0.947 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000418848531 489754513 /nfs/dbraw/zinc/75/45/13/489754513.db2.gz LOLINFWCSIPZKX-INIZCTEOSA-N 2 2 360.458 0.380 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+](C)C ZINC000418847156 489754572 /nfs/dbraw/zinc/75/45/72/489754572.db2.gz IUUDQJALAAWUPV-OAHLLOKOSA-N 2 2 362.474 0.625 20 0 FCADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620043 489756058 /nfs/dbraw/zinc/75/60/58/489756058.db2.gz HCINGQCRBGAUIP-CQSZACIVSA-N 2 2 350.438 0.536 20 0 FCADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620043 489756062 /nfs/dbraw/zinc/75/60/62/489756062.db2.gz HCINGQCRBGAUIP-CQSZACIVSA-N 2 2 350.438 0.536 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555855104 491276935 /nfs/dbraw/zinc/27/69/35/491276935.db2.gz OYSPSCVRJQKEHB-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430624805 489758170 /nfs/dbraw/zinc/75/81/70/489758170.db2.gz JDNLUVUFXSBERV-UHFFFAOYSA-N 2 2 352.401 0.397 20 0 FCADLP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430624805 489758173 /nfs/dbraw/zinc/75/81/73/489758173.db2.gz JDNLUVUFXSBERV-UHFFFAOYSA-N 2 2 352.401 0.397 20 0 FCADLP [NH3+][C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430630612 489758185 /nfs/dbraw/zinc/75/81/85/489758185.db2.gz RQNWDNORRUISHU-GOSISDBHSA-N 2 2 358.486 0.689 20 0 FCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000570969679 491277119 /nfs/dbraw/zinc/27/71/19/491277119.db2.gz HOWCVQWGCHENOS-CZUORRHYSA-N 2 2 366.487 0.559 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000570969677 491277205 /nfs/dbraw/zinc/27/72/05/491277205.db2.gz HOWCVQWGCHENOS-BBRMVZONSA-N 2 2 366.487 0.559 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)CC1CC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000430696881 489766143 /nfs/dbraw/zinc/76/61/43/489766143.db2.gz WSANMTHAAKZHHO-CRAIPNDOSA-N 2 2 368.522 0.355 20 0 FCADLP COCC[C@]1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]C1 ZINC000430732859 489767301 /nfs/dbraw/zinc/76/73/01/489767301.db2.gz CFAAFLKRZRRIPJ-LJQANCHMSA-N 2 2 366.506 0.063 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430736129 489768147 /nfs/dbraw/zinc/76/81/47/489768147.db2.gz ZXYOJVWVYDQYHV-JKSUJKDBSA-N 2 2 366.506 0.062 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430744986 489768374 /nfs/dbraw/zinc/76/83/74/489768374.db2.gz XEHLRUBGMBLBDN-KURKYZTESA-N 2 2 362.518 0.968 20 0 FCADLP COc1cc(OC)cc([C@@H](NC(=O)COC2C[NH2+]C2)c2[nH+]ccn2C)c1 ZINC000430766072 489768484 /nfs/dbraw/zinc/76/84/84/489768484.db2.gz SXFBLEUHOFTWHA-QGZVFWFLSA-N 2 2 360.414 0.631 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(=O)N2Cc3ccccc3C2)CC1 ZINC000474556291 489769571 /nfs/dbraw/zinc/76/95/71/489769571.db2.gz IZWKHJMNCYXWJG-UHFFFAOYSA-N 2 2 373.501 0.854 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000418874985 489769548 /nfs/dbraw/zinc/76/95/48/489769548.db2.gz JSKUQUWIJZODDV-DOMZBBRYSA-N 2 2 352.866 0.879 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1Cl ZINC000418875902 489769805 /nfs/dbraw/zinc/76/98/05/489769805.db2.gz LFWBABRTTIIYQY-UHOFOFEASA-N 2 2 364.877 0.879 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000418879995 489772601 /nfs/dbraw/zinc/77/26/01/489772601.db2.gz UUAXFYVTSZYHCL-IUODEOHRSA-N 2 2 368.865 0.245 20 0 FCADLP O=C(CNC(=O)NCCCn1cc[nH+]c1)NCC[NH+]1CCCCCC1 ZINC000430924153 489777454 /nfs/dbraw/zinc/77/74/54/489777454.db2.gz HQRPYSIYENOFBO-UHFFFAOYSA-N 2 2 350.467 0.565 20 0 FCADLP CCc1[nH+]c2cc(CNC(=O)C(=O)N3CC[NH2+]CC3)ccc2n1C1CC1 ZINC000418896500 489779870 /nfs/dbraw/zinc/77/98/70/489779870.db2.gz FRZGYWPEJRPYIO-UHFFFAOYSA-N 2 2 355.442 0.982 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430936086 489779875 /nfs/dbraw/zinc/77/98/75/489779875.db2.gz WXYQULCCEPFRNE-ZBFHGGJFSA-N 2 2 359.536 0.717 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000376705541 489780279 /nfs/dbraw/zinc/78/02/79/489780279.db2.gz FOZHHGFLPUKADV-YESZJQIVSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000376705541 489780281 /nfs/dbraw/zinc/78/02/81/489780281.db2.gz FOZHHGFLPUKADV-YESZJQIVSA-N 3 2 367.538 0.251 20 0 FCADLP Cn1cc(-c2ncc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)cn2)cn1 ZINC000474708352 489782133 /nfs/dbraw/zinc/78/21/33/489782133.db2.gz FNRFESFGVLHOHA-HNNXBMFYSA-N 2 2 357.462 0.554 20 0 FCADLP Cn1cc(-c2ncc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)cn2)cn1 ZINC000474708352 489782138 /nfs/dbraw/zinc/78/21/38/489782138.db2.gz FNRFESFGVLHOHA-HNNXBMFYSA-N 2 2 357.462 0.554 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)NCC(=O)N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000563945086 491278339 /nfs/dbraw/zinc/27/83/39/491278339.db2.gz OWRVAAYYDUGWNQ-UHFFFAOYSA-N 2 2 374.489 0.549 20 0 FCADLP Cc1cccc(N2CC[NH+](CCCNC(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000431019560 489785171 /nfs/dbraw/zinc/78/51/71/489785171.db2.gz QOZAEMOGSQDAFH-UHFFFAOYSA-N 2 2 373.501 0.055 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000431011887 489785294 /nfs/dbraw/zinc/78/52/94/489785294.db2.gz CLUSFRAFAQAGFW-GJZGRUSLSA-N 2 2 357.520 0.486 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000555866599 491278463 /nfs/dbraw/zinc/27/84/63/491278463.db2.gz NJEHXUWMUMIHSI-UHFFFAOYSA-N 2 2 354.414 0.738 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000555870056 491278485 /nfs/dbraw/zinc/27/84/85/491278485.db2.gz OEPJYVCIEQGDOZ-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000555870056 491278486 /nfs/dbraw/zinc/27/84/86/491278486.db2.gz OEPJYVCIEQGDOZ-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418909699 489786259 /nfs/dbraw/zinc/78/62/59/489786259.db2.gz UIIZRTYSTFMXSD-QGZVFWFLSA-N 2 2 355.442 0.806 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)COC1C[NH2+]C1 ZINC000431056122 489786420 /nfs/dbraw/zinc/78/64/20/489786420.db2.gz BPIITHIBVSGQGV-UHFFFAOYSA-N 2 2 362.430 0.010 20 0 FCADLP Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000431035568 489786463 /nfs/dbraw/zinc/78/64/63/489786463.db2.gz SUNYBXTYRLZVIC-MRXNPFEDSA-N 2 2 362.478 0.448 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418936591 489796110 /nfs/dbraw/zinc/79/61/10/489796110.db2.gz FGOFVRGMEAEJMY-TZMCWYRMSA-N 2 2 350.488 0.466 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418936591 489796115 /nfs/dbraw/zinc/79/61/15/489796115.db2.gz FGOFVRGMEAEJMY-TZMCWYRMSA-N 2 2 350.488 0.466 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418941975 489798342 /nfs/dbraw/zinc/79/83/42/489798342.db2.gz KYYRFCBYJQXPHI-KGLIPLIRSA-N 2 2 350.488 0.609 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418941975 489798343 /nfs/dbraw/zinc/79/83/43/489798343.db2.gz KYYRFCBYJQXPHI-KGLIPLIRSA-N 2 2 350.488 0.609 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H]1C[NH3+] ZINC000418942701 489798741 /nfs/dbraw/zinc/79/87/41/489798741.db2.gz LQOGIPWJYZJMRE-DZGCQCFKSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H]1C[NH3+] ZINC000418942701 489798743 /nfs/dbraw/zinc/79/87/43/489798743.db2.gz LQOGIPWJYZJMRE-DZGCQCFKSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000376799618 489798735 /nfs/dbraw/zinc/79/87/35/489798735.db2.gz KIRJRDLEKXVOAM-KRWDZBQOSA-N 2 2 368.522 0.730 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418945524 489799540 /nfs/dbraw/zinc/79/95/40/489799540.db2.gz PSJNCTARFIJSRE-OLZOCXBDSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418945524 489799543 /nfs/dbraw/zinc/79/95/43/489799543.db2.gz PSJNCTARFIJSRE-OLZOCXBDSA-N 2 2 350.488 0.418 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000459938294 489800750 /nfs/dbraw/zinc/80/07/50/489800750.db2.gz VDYKYZYTXFQOSZ-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000459938294 489800752 /nfs/dbraw/zinc/80/07/52/489800752.db2.gz VDYKYZYTXFQOSZ-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000418953315 489802551 /nfs/dbraw/zinc/80/25/51/489802551.db2.gz ZSYAGKWOPSDRDC-SFHVURJKSA-N 2 2 364.515 0.728 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000418953315 489802555 /nfs/dbraw/zinc/80/25/55/489802555.db2.gz ZSYAGKWOPSDRDC-SFHVURJKSA-N 2 2 364.515 0.728 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000418953309 489802761 /nfs/dbraw/zinc/80/27/61/489802761.db2.gz ZSYAGKWOPSDRDC-GOSISDBHSA-N 2 2 364.515 0.728 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000418953309 489802766 /nfs/dbraw/zinc/80/27/66/489802766.db2.gz ZSYAGKWOPSDRDC-GOSISDBHSA-N 2 2 364.515 0.728 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000459984940 489809193 /nfs/dbraw/zinc/80/91/93/489809193.db2.gz DKULGQVHHSEQGD-DOTOQJQBSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000459984940 489809196 /nfs/dbraw/zinc/80/91/96/489809196.db2.gz DKULGQVHHSEQGD-DOTOQJQBSA-N 2 2 368.522 0.497 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000418983986 489810356 /nfs/dbraw/zinc/81/03/56/489810356.db2.gz DMQAPWMGQPMTLM-SWLSCSKDSA-N 2 2 373.457 0.690 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000459991478 489810887 /nfs/dbraw/zinc/81/08/87/489810887.db2.gz OOOJFZPGFYRCOP-NVXWUHKLSA-N 2 2 359.474 0.847 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000459993760 489811808 /nfs/dbraw/zinc/81/18/08/489811808.db2.gz SSUCVVAKQZOCNV-MRXNPFEDSA-N 2 2 350.507 0.729 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000459993760 489811810 /nfs/dbraw/zinc/81/18/10/489811810.db2.gz SSUCVVAKQZOCNV-MRXNPFEDSA-N 2 2 350.507 0.729 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419005809 489815200 /nfs/dbraw/zinc/81/52/00/489815200.db2.gz VUPWOLJOIZCMLO-CQSZACIVSA-N 2 2 359.430 0.037 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000460001500 489815420 /nfs/dbraw/zinc/81/54/20/489815420.db2.gz YRNWHXBGIBFDDK-RDJZCZTQSA-N 2 2 360.458 0.862 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000460001500 489815423 /nfs/dbraw/zinc/81/54/23/489815423.db2.gz YRNWHXBGIBFDDK-RDJZCZTQSA-N 2 2 360.458 0.862 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460010270 489817012 /nfs/dbraw/zinc/81/70/12/489817012.db2.gz GYIBGWSKPCBUBS-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000563978973 491281197 /nfs/dbraw/zinc/28/11/97/491281197.db2.gz QDQYBRDJJGLIJX-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000563978973 491281199 /nfs/dbraw/zinc/28/11/99/491281199.db2.gz QDQYBRDJJGLIJX-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000475397607 489823581 /nfs/dbraw/zinc/82/35/81/489823581.db2.gz WZKQVMHPQULFNX-CABCVRRESA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000475397607 489823583 /nfs/dbraw/zinc/82/35/83/489823583.db2.gz WZKQVMHPQULFNX-CABCVRRESA-N 2 2 355.479 0.344 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419032125 489826687 /nfs/dbraw/zinc/82/66/87/489826687.db2.gz WJBOTHZDHAULPI-OCCSQVGLSA-N 2 2 359.405 0.823 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000376971819 489827725 /nfs/dbraw/zinc/82/77/25/489827725.db2.gz AHWAEPDJOLXUIA-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000376971819 489827727 /nfs/dbraw/zinc/82/77/27/489827727.db2.gz AHWAEPDJOLXUIA-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)CCC2 ZINC000419043475 489832192 /nfs/dbraw/zinc/83/21/92/489832192.db2.gz REFKBVGHUYQXSJ-RDBSUJKOSA-N 2 2 363.462 0.414 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]CC(=O)N3Cc4ccccc4C3)cn2)CC1 ZINC000475498652 489833495 /nfs/dbraw/zinc/83/34/95/489833495.db2.gz XWTOJBCVNATOFO-UHFFFAOYSA-N 2 2 366.469 0.860 20 0 FCADLP O=C(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)N1Cc2ccccc2C1 ZINC000475511349 489833862 /nfs/dbraw/zinc/83/38/62/489833862.db2.gz KUDMESKZUCRWQT-UHFFFAOYSA-N 2 2 372.513 0.915 20 0 FCADLP O=C(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)N1Cc2ccccc2C1 ZINC000475511349 489833868 /nfs/dbraw/zinc/83/38/68/489833868.db2.gz KUDMESKZUCRWQT-UHFFFAOYSA-N 2 2 372.513 0.915 20 0 FCADLP CCOCCN(CC)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000460054020 489834534 /nfs/dbraw/zinc/83/45/34/489834534.db2.gz DMMGFLPDQFYERB-UHFFFAOYSA-N 2 2 356.511 0.356 20 0 FCADLP CCOCCN(CC)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000460054020 489834537 /nfs/dbraw/zinc/83/45/37/489834537.db2.gz DMMGFLPDQFYERB-UHFFFAOYSA-N 2 2 356.511 0.356 20 0 FCADLP C[C@H](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000563993599 491282385 /nfs/dbraw/zinc/28/23/85/491282385.db2.gz AIYMQTMITIMYAC-SJORKVTESA-N 2 2 368.522 0.546 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1F ZINC000419071047 489845695 /nfs/dbraw/zinc/84/56/95/489845695.db2.gz IFUFDOVUFKRUMP-IUODEOHRSA-N 2 2 359.405 0.715 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000419076179 489847769 /nfs/dbraw/zinc/84/77/69/489847769.db2.gz NUIFNBMPHPGANW-XJKCOSOUSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419083422 489850670 /nfs/dbraw/zinc/85/06/70/489850670.db2.gz RDWBVCFMDPZWOY-WFASDCNBSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@H](C)[NH2+]1 ZINC000419085256 489850784 /nfs/dbraw/zinc/85/07/84/489850784.db2.gz VNGONSVVBRTJKY-DVOMOZLQSA-N 2 2 373.432 0.974 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000460165725 489854094 /nfs/dbraw/zinc/85/40/94/489854094.db2.gz OGHJHYBRFWFKIU-GOSISDBHSA-N 2 2 369.554 0.766 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000419110522 489858551 /nfs/dbraw/zinc/85/85/51/489858551.db2.gz BXOCBLRFDAZABE-CVEARBPZSA-N 2 2 356.511 0.339 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000419115072 489861439 /nfs/dbraw/zinc/86/14/39/489861439.db2.gz JFFGABDQJNMENP-UYSNPLJNSA-N 2 2 354.495 0.236 20 0 FCADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000571061614 491283998 /nfs/dbraw/zinc/28/39/98/491283998.db2.gz ZVXACKRXJICXRA-KBAYOESNSA-N 2 2 356.470 0.766 20 0 FCADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000571061614 491284002 /nfs/dbraw/zinc/28/40/02/491284002.db2.gz ZVXACKRXJICXRA-KBAYOESNSA-N 2 2 356.470 0.766 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119839 489864296 /nfs/dbraw/zinc/86/42/96/489864296.db2.gz PKXJGFCUILLROH-QFBILLFUSA-N 2 2 368.522 0.355 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000476044891 489864774 /nfs/dbraw/zinc/86/47/74/489864774.db2.gz YCLLFEIETOXZLZ-QGZVFWFLSA-N 2 2 355.527 0.421 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000476044891 489864777 /nfs/dbraw/zinc/86/47/77/489864777.db2.gz YCLLFEIETOXZLZ-QGZVFWFLSA-N 2 2 355.527 0.421 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419121688 489866262 /nfs/dbraw/zinc/86/62/62/489866262.db2.gz SHKZFHMKDAENQG-HZMVEIRTSA-N 2 2 366.506 0.045 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000419122767 489866958 /nfs/dbraw/zinc/86/69/58/489866958.db2.gz UNSUXNPSRKZAFC-GOEBONIOSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419124812 489867901 /nfs/dbraw/zinc/86/79/01/489867901.db2.gz YDKGKJYPNKFGFG-DOTOQJQBSA-N 2 2 368.522 0.435 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC000433156583 489868737 /nfs/dbraw/zinc/86/87/37/489868737.db2.gz CETZOUWUFHHXLS-HZPDHXFCSA-N 2 2 357.520 0.758 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000494205942 489873918 /nfs/dbraw/zinc/87/39/18/489873918.db2.gz UCYQWKUZLBQEEW-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000494205942 489873920 /nfs/dbraw/zinc/87/39/20/489873920.db2.gz UCYQWKUZLBQEEW-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419992622 489875464 /nfs/dbraw/zinc/87/54/64/489875464.db2.gz LPCQFERRRAMBBO-CQSZACIVSA-N 2 2 350.438 0.714 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419992622 489875466 /nfs/dbraw/zinc/87/54/66/489875466.db2.gz LPCQFERRRAMBBO-CQSZACIVSA-N 2 2 350.438 0.714 20 0 FCADLP C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000494234677 489876622 /nfs/dbraw/zinc/87/66/22/489876622.db2.gz QTCBMZPXRAVABP-SCLBCKFNSA-N 2 2 373.461 0.169 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)C2 ZINC000419999871 489877125 /nfs/dbraw/zinc/87/71/25/489877125.db2.gz NJSVTZXAXWKQEH-AWEZNQCLSA-N 2 2 361.490 0.934 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000420007834 489879634 /nfs/dbraw/zinc/87/96/34/489879634.db2.gz SWLDKUSRTFTISE-LSDHHAIUSA-N 2 2 362.474 0.754 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000420007826 489880091 /nfs/dbraw/zinc/88/00/91/489880091.db2.gz SWLDKUSRTFTISE-CABCVRRESA-N 2 2 362.474 0.754 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000460781964 489882116 /nfs/dbraw/zinc/88/21/16/489882116.db2.gz LODVIAHVCGAVSL-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000460781964 489882119 /nfs/dbraw/zinc/88/21/19/489882119.db2.gz LODVIAHVCGAVSL-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420022791 489883580 /nfs/dbraw/zinc/88/35/80/489883580.db2.gz WNMFHICMTAJTRN-ARFHVFGLSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420022791 489883584 /nfs/dbraw/zinc/88/35/84/489883584.db2.gz WNMFHICMTAJTRN-ARFHVFGLSA-N 2 2 374.489 0.143 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420032178 489887036 /nfs/dbraw/zinc/88/70/36/489887036.db2.gz GDIVNZZZMAMDQV-BPQIPLTHSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420032178 489887039 /nfs/dbraw/zinc/88/70/39/489887039.db2.gz GDIVNZZZMAMDQV-BPQIPLTHSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000433557843 489891919 /nfs/dbraw/zinc/89/19/19/489891919.db2.gz KEVAUHISWAHGMF-HZPDHXFCSA-N 2 2 354.495 0.650 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000420055433 489896118 /nfs/dbraw/zinc/89/61/18/489896118.db2.gz GRWMOPSZTBRNSR-KRWDZBQOSA-N 2 2 362.449 0.714 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000420055433 489896119 /nfs/dbraw/zinc/89/61/19/489896119.db2.gz GRWMOPSZTBRNSR-KRWDZBQOSA-N 2 2 362.449 0.714 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000420081628 489905057 /nfs/dbraw/zinc/90/50/57/489905057.db2.gz NTXQLKDHZKEWFK-OAHLLOKOSA-N 2 2 361.490 0.921 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000377513198 489912853 /nfs/dbraw/zinc/91/28/53/489912853.db2.gz SHOCLLYCPZXYDL-SFHVURJKSA-N 3 2 366.550 0.973 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420110369 489915641 /nfs/dbraw/zinc/91/56/41/489915641.db2.gz FQNOEXMBFUOGGS-RYRKJORJSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420110369 489915644 /nfs/dbraw/zinc/91/56/44/489915644.db2.gz FQNOEXMBFUOGGS-RYRKJORJSA-N 2 2 358.486 0.834 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000420137084 489925650 /nfs/dbraw/zinc/92/56/50/489925650.db2.gz WQPVWFFQLTWCEB-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420139840 489927603 /nfs/dbraw/zinc/92/76/03/489927603.db2.gz OXSZAZDDBAIDES-MRXNPFEDSA-N 2 2 356.470 0.755 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000420139840 489927609 /nfs/dbraw/zinc/92/76/09/489927609.db2.gz OXSZAZDDBAIDES-MRXNPFEDSA-N 2 2 356.470 0.755 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)[NH+]3CCN(C)CC3)CC2)CC1 ZINC000434433094 489927782 /nfs/dbraw/zinc/92/77/82/489927782.db2.gz OLOXHBAFSNUQDH-GOSISDBHSA-N 2 2 365.566 0.639 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)[NH+]3CCOCC3)CC2)CC1 ZINC000434428436 489927834 /nfs/dbraw/zinc/92/78/34/489927834.db2.gz BLPFDGIENMMYLQ-KRWDZBQOSA-N 2 2 352.523 0.724 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000495314774 489934768 /nfs/dbraw/zinc/93/47/68/489934768.db2.gz NZZVMGNTSUDNAW-CQSZACIVSA-N 2 2 360.449 0.667 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000495314774 489934770 /nfs/dbraw/zinc/93/47/70/489934770.db2.gz NZZVMGNTSUDNAW-CQSZACIVSA-N 2 2 360.449 0.667 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420157743 489935231 /nfs/dbraw/zinc/93/52/31/489935231.db2.gz XJLCKGFUDDFMNU-QPJJXVBHSA-N 2 2 366.412 0.554 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420157028 489935242 /nfs/dbraw/zinc/93/52/42/489935242.db2.gz WLLLABYBJGBGIZ-UHFFFAOYSA-N 2 2 354.401 0.349 20 0 FCADLP CCOCC[C@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000434639873 489940390 /nfs/dbraw/zinc/94/03/90/489940390.db2.gz XEXWEAJHFRKIGR-INIZCTEOSA-N 2 2 365.478 0.223 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420176825 489941725 /nfs/dbraw/zinc/94/17/25/489941725.db2.gz QRDIWSIYHQAIQW-UHFFFAOYSA-N 2 2 356.373 0.470 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420178145 489942703 /nfs/dbraw/zinc/94/27/03/489942703.db2.gz AGBUADVDPWMZSB-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420178145 489942707 /nfs/dbraw/zinc/94/27/07/489942707.db2.gz AGBUADVDPWMZSB-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000571186529 491291299 /nfs/dbraw/zinc/29/12/99/491291299.db2.gz IIFZTJODJJWOSJ-UHFFFAOYSA-N 2 2 373.501 0.122 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000420297059 489960303 /nfs/dbraw/zinc/96/03/03/489960303.db2.gz FFGGNKDHPNRLDW-KSZLIROESA-N 2 2 363.527 0.957 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000420297059 489960307 /nfs/dbraw/zinc/96/03/07/489960307.db2.gz FFGGNKDHPNRLDW-KSZLIROESA-N 2 2 363.527 0.957 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307352 489961772 /nfs/dbraw/zinc/96/17/72/489961772.db2.gz LYJYCUDTNXRSII-CHWSQXEVSA-N 2 2 362.396 0.436 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307352 489961773 /nfs/dbraw/zinc/96/17/73/489961773.db2.gz LYJYCUDTNXRSII-CHWSQXEVSA-N 2 2 362.396 0.436 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000420312734 489962855 /nfs/dbraw/zinc/96/28/55/489962855.db2.gz XCPOZCBMJVACHU-FHWLQOOXSA-N 2 2 361.486 0.631 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000420312734 489962859 /nfs/dbraw/zinc/96/28/59/489962859.db2.gz XCPOZCBMJVACHU-FHWLQOOXSA-N 2 2 361.486 0.631 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000420313065 489963013 /nfs/dbraw/zinc/96/30/13/489963013.db2.gz TXVQPXZDGYMPQN-WCFLWFBJSA-N 2 2 352.460 0.856 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000420313065 489963017 /nfs/dbraw/zinc/96/30/17/489963017.db2.gz TXVQPXZDGYMPQN-WCFLWFBJSA-N 2 2 352.460 0.856 20 0 FCADLP O=S(=O)(c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1)N1CCCC1 ZINC000420348660 489965261 /nfs/dbraw/zinc/96/52/61/489965261.db2.gz MKELAWSFOQEACW-OAHLLOKOSA-N 2 2 368.503 0.544 20 0 FCADLP O=S(=O)(c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1)N1CCCC1 ZINC000420348660 489965264 /nfs/dbraw/zinc/96/52/64/489965264.db2.gz MKELAWSFOQEACW-OAHLLOKOSA-N 2 2 368.503 0.544 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346468 489965939 /nfs/dbraw/zinc/96/59/39/489965939.db2.gz CWSQRORGWDIOGR-LSDHHAIUSA-N 2 2 362.474 0.969 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346468 489965940 /nfs/dbraw/zinc/96/59/40/489965940.db2.gz CWSQRORGWDIOGR-LSDHHAIUSA-N 2 2 362.474 0.969 20 0 FCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351534 489966370 /nfs/dbraw/zinc/96/63/70/489966370.db2.gz XCQXRHNTGUOYSO-LSDHHAIUSA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351534 489966373 /nfs/dbraw/zinc/96/63/73/489966373.db2.gz XCQXRHNTGUOYSO-LSDHHAIUSA-N 2 2 367.291 0.955 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350277 489966811 /nfs/dbraw/zinc/96/68/11/489966811.db2.gz GIAKRJNBAAOHOM-BEFAXECRSA-N 2 2 365.474 0.913 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350277 489966814 /nfs/dbraw/zinc/96/68/14/489966814.db2.gz GIAKRJNBAAOHOM-BEFAXECRSA-N 2 2 365.474 0.913 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000377843275 489967226 /nfs/dbraw/zinc/96/72/26/489967226.db2.gz HLUOTGUYWGSXAL-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP CCCn1c(N)c(C(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c(=O)[nH]c1=O ZINC000420361151 489967421 /nfs/dbraw/zinc/96/74/21/489967421.db2.gz HXAIHXBIRIKCDK-GFCCVEGCSA-N 2 2 351.451 0.621 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1C ZINC000420360196 489967622 /nfs/dbraw/zinc/96/76/22/489967622.db2.gz KSHNBPUALGUGAF-CQSZACIVSA-N 2 2 356.492 0.805 20 0 FCADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1S(N)(=O)=O ZINC000420369215 489968613 /nfs/dbraw/zinc/96/86/13/489968613.db2.gz OEKCAFUPESUBFT-XHBSWPGZSA-N 2 2 354.476 0.557 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420367162 489968756 /nfs/dbraw/zinc/96/87/56/489968756.db2.gz MQTBREOIYLFXFM-OAHLLOKOSA-N 2 2 368.503 0.853 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NCCOc3ccccc3)C2)nn1 ZINC000420382505 489969730 /nfs/dbraw/zinc/96/97/30/489969730.db2.gz PWHKLDUNZFZCAC-MRXNPFEDSA-N 2 2 358.446 0.569 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NCCOc3ccccc3)C2)nn1 ZINC000420382505 489969733 /nfs/dbraw/zinc/96/97/33/489969733.db2.gz PWHKLDUNZFZCAC-MRXNPFEDSA-N 2 2 358.446 0.569 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420378721 489969826 /nfs/dbraw/zinc/96/98/26/489969826.db2.gz MLNSOMMQGHQLGF-MRXNPFEDSA-N 2 2 352.483 0.553 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420378721 489969827 /nfs/dbraw/zinc/96/98/27/489969827.db2.gz MLNSOMMQGHQLGF-MRXNPFEDSA-N 2 2 352.483 0.553 20 0 FCADLP CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1C ZINC000420409272 489972267 /nfs/dbraw/zinc/97/22/67/489972267.db2.gz YHBXAHUAIXKWJX-UHFFFAOYSA-N 2 2 355.460 0.957 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886448 489972459 /nfs/dbraw/zinc/97/24/59/489972459.db2.gz CBUGQWFAQJEJDF-GJZGRUSLSA-N 2 2 362.526 0.681 20 0 FCADLP COCC[C@H](COC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000462514977 489980115 /nfs/dbraw/zinc/98/01/15/489980115.db2.gz BTWBTFHNKPYWEO-JKSUJKDBSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[C@H](COC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000462514977 489980119 /nfs/dbraw/zinc/98/01/19/489980119.db2.gz BTWBTFHNKPYWEO-JKSUJKDBSA-N 2 2 356.511 0.848 20 0 FCADLP COCC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000556078602 491292823 /nfs/dbraw/zinc/29/28/23/491292823.db2.gz XDSDZTHFVQPINH-MRXNPFEDSA-N 2 2 362.474 0.592 20 0 FCADLP COC[C@@H](C)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420468684 489981919 /nfs/dbraw/zinc/98/19/19/489981919.db2.gz HAQLTEIYOWEIAO-OAHLLOKOSA-N 2 2 355.504 0.934 20 0 FCADLP O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000435242966 489991448 /nfs/dbraw/zinc/99/14/48/489991448.db2.gz PPNIHXHAKUXGHV-FQEVSTJZSA-N 2 2 372.513 0.961 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@@H+]1C ZINC000435286388 489995154 /nfs/dbraw/zinc/99/51/54/489995154.db2.gz WNOINKGJBKZLDO-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@H+]1C ZINC000435286388 489995156 /nfs/dbraw/zinc/99/51/56/489995156.db2.gz WNOINKGJBKZLDO-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286388 489995158 /nfs/dbraw/zinc/99/51/58/489995158.db2.gz WNOINKGJBKZLDO-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286388 489995160 /nfs/dbraw/zinc/99/51/60/489995160.db2.gz WNOINKGJBKZLDO-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000477958982 489997944 /nfs/dbraw/zinc/99/79/44/489997944.db2.gz GYNWGCWIFWISKI-APWZRJJASA-N 2 2 368.522 0.404 20 0 FCADLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435383917 490000429 /nfs/dbraw/zinc/00/04/29/490000429.db2.gz JXXDVVVDXFUOHA-AWEZNQCLSA-N 2 2 351.447 0.712 20 0 FCADLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435383917 490000430 /nfs/dbraw/zinc/00/04/30/490000430.db2.gz JXXDVVVDXFUOHA-AWEZNQCLSA-N 2 2 351.447 0.712 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3COc4ccccc4[C@H]3O)C2)CC1 ZINC000378096855 490008952 /nfs/dbraw/zinc/00/89/52/490008952.db2.gz SPVALHSTPPPFHB-UCLAIMLFSA-N 2 2 374.485 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3COc4ccccc4[C@H]3O)C2)CC1 ZINC000378096855 490008954 /nfs/dbraw/zinc/00/89/54/490008954.db2.gz SPVALHSTPPPFHB-UCLAIMLFSA-N 2 2 374.485 0.949 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c[nH+]1 ZINC000556088670 491293911 /nfs/dbraw/zinc/29/39/11/491293911.db2.gz QXFHQIZKELJXDB-QGZVFWFLSA-N 2 2 373.501 0.954 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c[nH+]1 ZINC000556088670 491293913 /nfs/dbraw/zinc/29/39/13/491293913.db2.gz QXFHQIZKELJXDB-QGZVFWFLSA-N 2 2 373.501 0.954 20 0 FCADLP COc1cc(NC(=O)CC[N@@H+]2CCO[C@H](C[NH3+])C2)cc(OC)c1OC ZINC000478260404 490012263 /nfs/dbraw/zinc/01/22/63/490012263.db2.gz OJJMPSNJTMZZBU-CYBMUJFWSA-N 2 2 353.419 0.701 20 0 FCADLP COc1cc(NC(=O)CC[N@H+]2CCO[C@H](C[NH3+])C2)cc(OC)c1OC ZINC000478260404 490012267 /nfs/dbraw/zinc/01/22/67/490012267.db2.gz OJJMPSNJTMZZBU-CYBMUJFWSA-N 2 2 353.419 0.701 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478421941 490018572 /nfs/dbraw/zinc/01/85/72/490018572.db2.gz QKHNPLRYPSOIHN-INIZCTEOSA-N 2 2 356.511 0.443 20 0 FCADLP CCn1nccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437475931 490023959 /nfs/dbraw/zinc/02/39/59/490023959.db2.gz MYCKCEUBRVADNM-UHFFFAOYSA-N 2 2 350.467 0.326 20 0 FCADLP CCn1nccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437475931 490023960 /nfs/dbraw/zinc/02/39/60/490023960.db2.gz MYCKCEUBRVADNM-UHFFFAOYSA-N 2 2 350.467 0.326 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438316454 490033499 /nfs/dbraw/zinc/03/34/99/490033499.db2.gz WHKNYBKOHFHCIU-MRXNPFEDSA-N 2 2 364.494 1.163 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000378251421 490034713 /nfs/dbraw/zinc/03/47/13/490034713.db2.gz DQDAPVLCJZIXRA-KRWDZBQOSA-N 2 2 367.515 0.791 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000378251421 490034717 /nfs/dbraw/zinc/03/47/17/490034717.db2.gz DQDAPVLCJZIXRA-KRWDZBQOSA-N 2 2 367.515 0.791 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](NC(C)=O)C3)CC2)cc1 ZINC000420956055 490035596 /nfs/dbraw/zinc/03/55/96/490035596.db2.gz MNRBNNMXLPLCSP-GOSISDBHSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](NC(C)=O)C3)CC2)cc1 ZINC000420956055 490035601 /nfs/dbraw/zinc/03/56/01/490035601.db2.gz MNRBNNMXLPLCSP-GOSISDBHSA-N 2 2 374.485 0.550 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986466 490039846 /nfs/dbraw/zinc/03/98/46/490039846.db2.gz YMYPCYPPMVBZCA-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986466 490039852 /nfs/dbraw/zinc/03/98/52/490039852.db2.gz YMYPCYPPMVBZCA-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CCOC(=O)CN(C)C(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986466 490039857 /nfs/dbraw/zinc/03/98/57/490039857.db2.gz YMYPCYPPMVBZCA-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CCOC(=O)CN(C)C(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986466 490039861 /nfs/dbraw/zinc/03/98/61/490039861.db2.gz YMYPCYPPMVBZCA-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000564232397 491295671 /nfs/dbraw/zinc/29/56/71/491295671.db2.gz WBRQEQIBDKWDDG-KRWDZBQOSA-N 2 2 368.522 0.308 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)CC1 ZINC000378314885 490047692 /nfs/dbraw/zinc/04/76/92/490047692.db2.gz LPVVQKWDAYSQTB-LJQANCHMSA-N 2 2 357.502 0.762 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)CC1 ZINC000378314885 490047697 /nfs/dbraw/zinc/04/76/97/490047697.db2.gz LPVVQKWDAYSQTB-LJQANCHMSA-N 2 2 357.502 0.762 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421170654 490051626 /nfs/dbraw/zinc/05/16/26/490051626.db2.gz GRANYURZINZANP-OAHLLOKOSA-N 2 2 357.458 0.841 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421170654 490051629 /nfs/dbraw/zinc/05/16/29/490051629.db2.gz GRANYURZINZANP-OAHLLOKOSA-N 2 2 357.458 0.841 20 0 FCADLP C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[NH+]1CCSCC1 ZINC000478920867 490054319 /nfs/dbraw/zinc/05/43/19/490054319.db2.gz DXNXEVJJNDKQEB-CVEARBPZSA-N 2 2 357.520 0.373 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228643 490059814 /nfs/dbraw/zinc/05/98/14/490059814.db2.gz RWEKCDZLHJOURQ-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228643 490059819 /nfs/dbraw/zinc/05/98/19/490059819.db2.gz RWEKCDZLHJOURQ-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059883 490066139 /nfs/dbraw/zinc/06/61/39/490066139.db2.gz NRPHZUVCVJHLIY-JKSUJKDBSA-N 2 2 359.536 0.719 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059883 490066142 /nfs/dbraw/zinc/06/61/42/490066142.db2.gz NRPHZUVCVJHLIY-JKSUJKDBSA-N 2 2 359.536 0.719 20 0 FCADLP CC[C@@H](COC)NC(=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421342570 490076240 /nfs/dbraw/zinc/07/62/40/490076240.db2.gz YDTUFQMFCKDVTN-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@@H](COC)NC(=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421342570 490076246 /nfs/dbraw/zinc/07/62/46/490076246.db2.gz YDTUFQMFCKDVTN-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000444179654 490079964 /nfs/dbraw/zinc/07/99/64/490079964.db2.gz DGMJFNUIXLMHDC-KBXCAEBGSA-N 2 2 365.478 0.686 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000571288729 491298376 /nfs/dbraw/zinc/29/83/76/491298376.db2.gz DBZCKNVKISSTKY-HNNXBMFYSA-N 3 2 364.494 0.068 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000495627323 490084816 /nfs/dbraw/zinc/08/48/16/490084816.db2.gz XNDVRCXXEKETTB-INIZCTEOSA-N 2 2 352.866 0.833 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000545152656 490085304 /nfs/dbraw/zinc/08/53/04/490085304.db2.gz NTJUUTLBUUVAQD-UHFFFAOYSA-N 2 2 373.505 0.550 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000545152656 490085306 /nfs/dbraw/zinc/08/53/06/490085306.db2.gz NTJUUTLBUUVAQD-UHFFFAOYSA-N 2 2 373.505 0.550 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000519821161 490091123 /nfs/dbraw/zinc/09/11/23/490091123.db2.gz DLLOLOZZJBVVRZ-UHFFFAOYSA-N 2 2 354.495 0.143 20 0 FCADLP CC[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC[NH2+]1 ZINC000519824897 490092843 /nfs/dbraw/zinc/09/28/43/490092843.db2.gz JBCUUECOJSGSON-IBGZPJMESA-N 2 2 374.489 0.494 20 0 FCADLP CC[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC[NH2+]1 ZINC000519824897 490092844 /nfs/dbraw/zinc/09/28/44/490092844.db2.gz JBCUUECOJSGSON-IBGZPJMESA-N 2 2 374.489 0.494 20 0 FCADLP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000495783551 490093794 /nfs/dbraw/zinc/09/37/94/490093794.db2.gz GHOVTMSOXOQPPK-BFYDXBDKSA-N 2 2 354.495 0.010 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000532735726 490103476 /nfs/dbraw/zinc/10/34/76/490103476.db2.gz RFIGZHIXKATPAT-QZTJIDSGSA-N 2 2 356.470 0.541 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000532735726 490103483 /nfs/dbraw/zinc/10/34/83/490103483.db2.gz RFIGZHIXKATPAT-QZTJIDSGSA-N 2 2 356.470 0.541 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000571305861 491299556 /nfs/dbraw/zinc/29/95/56/491299556.db2.gz YENBASRYTUOPIJ-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000532783747 490114780 /nfs/dbraw/zinc/11/47/80/490114780.db2.gz LKBVHRDWAQTJBC-HNNXBMFYSA-N 2 2 356.430 0.989 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000479791489 490124846 /nfs/dbraw/zinc/12/48/46/490124846.db2.gz DPLXOFNTZHFDDQ-HDICACEKSA-N 2 2 362.518 0.779 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000479791489 490124850 /nfs/dbraw/zinc/12/48/50/490124850.db2.gz DPLXOFNTZHFDDQ-HDICACEKSA-N 2 2 362.518 0.779 20 0 FCADLP CCC(CC)[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000497019162 490134128 /nfs/dbraw/zinc/13/41/28/490134128.db2.gz LEHHCVXCYLBVJK-MSOLQXFVSA-N 2 2 371.522 0.275 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C ZINC000479892909 490135041 /nfs/dbraw/zinc/13/50/41/490135041.db2.gz ORPOGOXAZMWQGN-HNNXBMFYSA-N 2 2 370.538 0.696 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C ZINC000479892909 490135048 /nfs/dbraw/zinc/13/50/48/490135048.db2.gz ORPOGOXAZMWQGN-HNNXBMFYSA-N 2 2 370.538 0.696 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000497050979 490138040 /nfs/dbraw/zinc/13/80/40/490138040.db2.gz YOOLHVNZXUFEKO-BDXSIMOUSA-N 2 2 371.522 0.272 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000465829272 490144485 /nfs/dbraw/zinc/14/44/85/490144485.db2.gz AKCARHGGPAPUBD-INIZCTEOSA-N 2 2 355.527 0.912 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000465829272 490144488 /nfs/dbraw/zinc/14/44/88/490144488.db2.gz AKCARHGGPAPUBD-INIZCTEOSA-N 2 2 355.527 0.912 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000465869110 490149323 /nfs/dbraw/zinc/14/93/23/490149323.db2.gz YCWBOVUYIVUBGD-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000465869110 490149331 /nfs/dbraw/zinc/14/93/31/490149331.db2.gz YCWBOVUYIVUBGD-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000422100025 490151794 /nfs/dbraw/zinc/15/17/94/490151794.db2.gz KWWSQLFVNUMRTI-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000422100025 490151799 /nfs/dbraw/zinc/15/17/99/490151799.db2.gz KWWSQLFVNUMRTI-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000422102022 490152896 /nfs/dbraw/zinc/15/28/96/490152896.db2.gz FIQFFSDHKGLKRZ-HOTGVXAUSA-N 2 2 361.490 0.754 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000422102022 490152900 /nfs/dbraw/zinc/15/29/00/490152900.db2.gz FIQFFSDHKGLKRZ-HOTGVXAUSA-N 2 2 361.490 0.754 20 0 FCADLP C[NH2+]CCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000520575459 490166212 /nfs/dbraw/zinc/16/62/12/490166212.db2.gz OGBOPFSMQQIGCP-HNNXBMFYSA-N 2 2 362.478 0.398 20 0 FCADLP C[NH2+]CCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000520575459 490166218 /nfs/dbraw/zinc/16/62/18/490166218.db2.gz OGBOPFSMQQIGCP-HNNXBMFYSA-N 2 2 362.478 0.398 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000520583430 490166458 /nfs/dbraw/zinc/16/64/58/490166458.db2.gz QPILXDPFZOSGIG-LBPRGKRZSA-N 2 2 374.894 0.110 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000520583430 490166462 /nfs/dbraw/zinc/16/64/62/490166462.db2.gz QPILXDPFZOSGIG-LBPRGKRZSA-N 2 2 374.894 0.110 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000398144854 490167262 /nfs/dbraw/zinc/16/72/62/490167262.db2.gz NKDZCFARCUKOSO-KBMXLJTQSA-N 2 2 353.488 0.528 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000398144854 490167270 /nfs/dbraw/zinc/16/72/70/490167270.db2.gz NKDZCFARCUKOSO-KBMXLJTQSA-N 2 2 353.488 0.528 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000520614074 490172259 /nfs/dbraw/zinc/17/22/59/490172259.db2.gz QYPLFWJWIUBMBJ-ARFHVFGLSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000520614074 490172265 /nfs/dbraw/zinc/17/22/65/490172265.db2.gz QYPLFWJWIUBMBJ-ARFHVFGLSA-N 2 2 356.511 0.894 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000520675456 490178813 /nfs/dbraw/zinc/17/88/13/490178813.db2.gz SPBAPQNSPZCAKO-INIZCTEOSA-N 2 2 367.538 0.959 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000520675456 490178821 /nfs/dbraw/zinc/17/88/21/490178821.db2.gz SPBAPQNSPZCAKO-INIZCTEOSA-N 2 2 367.538 0.959 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000571405049 491305378 /nfs/dbraw/zinc/30/53/78/491305378.db2.gz KEROLTWQQNYPCK-GOEBONIOSA-N 2 2 365.499 0.846 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)C2)CC1 ZINC000520710514 490182406 /nfs/dbraw/zinc/18/24/06/490182406.db2.gz WLWKWEYGSVCTTI-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)C2)CC1 ZINC000520710514 490182412 /nfs/dbraw/zinc/18/24/12/490182412.db2.gz WLWKWEYGSVCTTI-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)C2)CC1 ZINC000520710512 490182463 /nfs/dbraw/zinc/18/24/63/490182463.db2.gz WLWKWEYGSVCTTI-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)C2)CC1 ZINC000520710512 490182469 /nfs/dbraw/zinc/18/24/69/490182469.db2.gz WLWKWEYGSVCTTI-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCNC(=O)C(C)C)CC2)CC1 ZINC000422146008 490189010 /nfs/dbraw/zinc/18/90/10/490189010.db2.gz UFHHKFRUFBMNFH-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCNC(=O)C(C)C)CC2)CC1 ZINC000422146008 490189021 /nfs/dbraw/zinc/18/90/21/490189021.db2.gz UFHHKFRUFBMNFH-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000407988994 490195679 /nfs/dbraw/zinc/19/56/79/490195679.db2.gz WFWZBVAWJHYDQE-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(CC)[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000480496941 490202916 /nfs/dbraw/zinc/20/29/16/490202916.db2.gz UWPPWNAFZNZFSC-PKOBYXMFSA-N 2 2 371.522 0.323 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769766 490211542 /nfs/dbraw/zinc/21/15/42/490211542.db2.gz ZAEBETLELKPYNT-DOTOQJQBSA-N 2 2 363.506 0.419 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769766 490211554 /nfs/dbraw/zinc/21/15/54/490211554.db2.gz ZAEBETLELKPYNT-DOTOQJQBSA-N 2 2 363.506 0.419 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000497775304 490213932 /nfs/dbraw/zinc/21/39/32/490213932.db2.gz HUTZFRLALSIAKQ-UHFFFAOYSA-N 2 2 360.449 0.632 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000571461084 491309911 /nfs/dbraw/zinc/30/99/11/491309911.db2.gz GCWSZCWIGMMACC-ZYHUDNBSSA-N 2 2 358.430 0.707 20 0 FCADLP C[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCC[NH2+]C1 ZINC000497957364 490239308 /nfs/dbraw/zinc/23/93/08/490239308.db2.gz XMUYHVZKAGDRBQ-LJQANCHMSA-N 2 2 359.474 0.789 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000546732884 490239538 /nfs/dbraw/zinc/23/95/38/490239538.db2.gz IKMRDBMDVVJPEO-SFHVURJKSA-N 2 2 368.570 0.339 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000546732884 490239542 /nfs/dbraw/zinc/23/95/42/490239542.db2.gz IKMRDBMDVVJPEO-SFHVURJKSA-N 2 2 368.570 0.339 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000546748541 490242197 /nfs/dbraw/zinc/24/21/97/490242197.db2.gz OBHSIOBNEYADKM-UHFFFAOYSA-N 2 2 366.510 0.606 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000498033686 490246866 /nfs/dbraw/zinc/24/68/66/490246866.db2.gz VSURCDPBZWJXRI-SQNIBIBYSA-N 2 2 369.554 0.357 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000498033686 490246875 /nfs/dbraw/zinc/24/68/75/490246875.db2.gz VSURCDPBZWJXRI-SQNIBIBYSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000498033686 490246884 /nfs/dbraw/zinc/24/68/84/490246884.db2.gz VSURCDPBZWJXRI-SQNIBIBYSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000498033686 490246893 /nfs/dbraw/zinc/24/68/93/490246893.db2.gz VSURCDPBZWJXRI-SQNIBIBYSA-N 2 2 369.554 0.357 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000521361230 490252768 /nfs/dbraw/zinc/25/27/68/490252768.db2.gz XHYDWWTVKUDYLO-UHFFFAOYSA-N 2 2 369.487 0.766 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509482 491312477 /nfs/dbraw/zinc/31/24/77/491312477.db2.gz FNNLTJMTULJVDG-BBWFWOEESA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509482 491312479 /nfs/dbraw/zinc/31/24/79/491312479.db2.gz FNNLTJMTULJVDG-BBWFWOEESA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509482 491312481 /nfs/dbraw/zinc/31/24/81/491312481.db2.gz FNNLTJMTULJVDG-BBWFWOEESA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571509482 491312483 /nfs/dbraw/zinc/31/24/83/491312483.db2.gz FNNLTJMTULJVDG-BBWFWOEESA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000498137871 490263239 /nfs/dbraw/zinc/26/32/39/490263239.db2.gz YLSIXLQPNMSMHP-GJZGRUSLSA-N 2 2 354.401 0.763 20 0 FCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498165381 490266086 /nfs/dbraw/zinc/26/60/86/490266086.db2.gz HXDKJJSWNUARBU-YVLXSGLVSA-N 2 2 356.829 0.791 20 0 FCADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498165381 490266090 /nfs/dbraw/zinc/26/60/90/490266090.db2.gz HXDKJJSWNUARBU-YVLXSGLVSA-N 2 2 356.829 0.791 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000521493037 490270435 /nfs/dbraw/zinc/27/04/35/490270435.db2.gz OFEOVFPJOYQTQZ-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000521493037 490270442 /nfs/dbraw/zinc/27/04/42/490270442.db2.gz OFEOVFPJOYQTQZ-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000521527828 490272278 /nfs/dbraw/zinc/27/22/78/490272278.db2.gz PYTOIGKYVGNQIU-CYBMUJFWSA-N 2 2 355.398 0.189 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@H](C)CSC)CC2)CC1 ZINC000422355462 490275276 /nfs/dbraw/zinc/27/52/76/490275276.db2.gz RVVKSWORMFXJEY-OAHLLOKOSA-N 2 2 370.563 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@H](C)CSC)CC2)CC1 ZINC000422355462 490275283 /nfs/dbraw/zinc/27/52/83/490275283.db2.gz RVVKSWORMFXJEY-OAHLLOKOSA-N 2 2 370.563 0.873 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346094 490280693 /nfs/dbraw/zinc/28/06/93/490280693.db2.gz VFVCEIALZYMXNI-CGTJXYLNSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346094 490280699 /nfs/dbraw/zinc/28/06/99/490280699.db2.gz VFVCEIALZYMXNI-CGTJXYLNSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000547346094 490280704 /nfs/dbraw/zinc/28/07/04/490280704.db2.gz VFVCEIALZYMXNI-CGTJXYLNSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000547346094 490280707 /nfs/dbraw/zinc/28/07/07/490280707.db2.gz VFVCEIALZYMXNI-CGTJXYLNSA-N 2 2 373.501 0.769 20 0 FCADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000447875828 490285143 /nfs/dbraw/zinc/28/51/43/490285143.db2.gz VEFRAORSQVAFFO-LJQANCHMSA-N 2 2 373.497 0.968 20 0 FCADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000447875828 490285146 /nfs/dbraw/zinc/28/51/46/490285146.db2.gz VEFRAORSQVAFFO-LJQANCHMSA-N 2 2 373.497 0.968 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447902253 490286500 /nfs/dbraw/zinc/28/65/00/490286500.db2.gz JJKYIDYFOCBWRY-QZTJIDSGSA-N 2 2 363.458 0.587 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447902252 490286623 /nfs/dbraw/zinc/28/66/23/490286623.db2.gz JJKYIDYFOCBWRY-MSOLQXFVSA-N 2 2 363.458 0.587 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000467489243 490298622 /nfs/dbraw/zinc/29/86/22/490298622.db2.gz DANHRAXXGJSLHM-VXIBKDFQSA-N 2 2 371.522 0.320 20 0 FCADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc(Cl)c1OCC(N)=O ZINC000521814750 490299614 /nfs/dbraw/zinc/29/96/14/490299614.db2.gz WWMNXJORKGJJLU-CYBMUJFWSA-N 2 2 371.865 0.759 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000483414491 490314891 /nfs/dbraw/zinc/31/48/91/490314891.db2.gz IRQPOGFWTOFQIU-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000483414491 490314903 /nfs/dbraw/zinc/31/49/03/490314903.db2.gz IRQPOGFWTOFQIU-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000564629191 491317175 /nfs/dbraw/zinc/31/71/75/491317175.db2.gz VJWWJVGBIBNSKH-INIZCTEOSA-N 2 2 373.494 0.881 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000564629191 491317176 /nfs/dbraw/zinc/31/71/76/491317176.db2.gz VJWWJVGBIBNSKH-INIZCTEOSA-N 2 2 373.494 0.881 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000467644191 490325360 /nfs/dbraw/zinc/32/53/60/490325360.db2.gz SXBAWMBWZHSFJD-UHFFFAOYSA-N 2 2 372.429 0.447 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000508383492 490325587 /nfs/dbraw/zinc/32/55/87/490325587.db2.gz CRTMMGRWGSDTQZ-DJIMGWMZSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000508383492 490325598 /nfs/dbraw/zinc/32/55/98/490325598.db2.gz CRTMMGRWGSDTQZ-DJIMGWMZSA-N 2 2 363.506 0.608 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)Cc1c[nH+]cn1C ZINC000547603959 490329260 /nfs/dbraw/zinc/32/92/60/490329260.db2.gz GXHPJSCMIVQEFJ-UHFFFAOYSA-N 2 2 371.441 0.998 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000422459283 490332504 /nfs/dbraw/zinc/33/25/04/490332504.db2.gz YDTILVMHWBBJEQ-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000422459283 490332507 /nfs/dbraw/zinc/33/25/07/490332507.db2.gz YDTILVMHWBBJEQ-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCCCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000422459283 490332512 /nfs/dbraw/zinc/33/25/12/490332512.db2.gz YDTILVMHWBBJEQ-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCCCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000422459283 490332516 /nfs/dbraw/zinc/33/25/16/490332516.db2.gz YDTILVMHWBBJEQ-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000522050285 490333946 /nfs/dbraw/zinc/33/39/46/490333946.db2.gz GDJBWBPOUZFKSD-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000522050285 490333954 /nfs/dbraw/zinc/33/39/54/490333954.db2.gz GDJBWBPOUZFKSD-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659037 490337291 /nfs/dbraw/zinc/33/72/91/490337291.db2.gz OKFMNAJYSYDTPS-HRCADAONSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659037 490337296 /nfs/dbraw/zinc/33/72/96/490337296.db2.gz OKFMNAJYSYDTPS-HRCADAONSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659036 490337624 /nfs/dbraw/zinc/33/76/24/490337624.db2.gz OKFMNAJYSYDTPS-BZUAXINKSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659036 490337636 /nfs/dbraw/zinc/33/76/36/490337636.db2.gz OKFMNAJYSYDTPS-BZUAXINKSA-N 2 2 359.474 0.647 20 0 FCADLP CNc1nc(N2CCC[C@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000467795249 490341503 /nfs/dbraw/zinc/34/15/03/490341503.db2.gz MGHBYXKPOPFRHJ-GJZGRUSLSA-N 3 2 362.526 0.396 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422493018 490358697 /nfs/dbraw/zinc/35/86/97/490358697.db2.gz PTPVCUFUWURDKI-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422493018 490358705 /nfs/dbraw/zinc/35/87/05/490358705.db2.gz PTPVCUFUWURDKI-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000498941587 490368107 /nfs/dbraw/zinc/36/81/07/490368107.db2.gz SQSBXLJGURFWKR-MRXNPFEDSA-N 2 2 357.458 0.545 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000498941587 490368112 /nfs/dbraw/zinc/36/81/12/490368112.db2.gz SQSBXLJGURFWKR-MRXNPFEDSA-N 2 2 357.458 0.545 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522467448 490381245 /nfs/dbraw/zinc/38/12/45/490381245.db2.gz NCMPDCXETPZTHB-UHFFFAOYSA-N 2 2 370.457 0.836 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000509068591 490386082 /nfs/dbraw/zinc/38/60/82/490386082.db2.gz IHSHICCZIRJNDU-MRXNPFEDSA-N 2 2 353.463 0.643 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000509068583 490387291 /nfs/dbraw/zinc/38/72/91/490387291.db2.gz IHSHICCZIRJNDU-INIZCTEOSA-N 2 2 353.463 0.643 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000484172452 490392260 /nfs/dbraw/zinc/39/22/60/490392260.db2.gz LGBNZKUOSWBAKP-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000534664576 490395162 /nfs/dbraw/zinc/39/51/62/490395162.db2.gz YDDQWDPKCIYERM-UHFFFAOYSA-N 2 2 368.547 0.930 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000534664576 490395175 /nfs/dbraw/zinc/39/51/75/490395175.db2.gz YDDQWDPKCIYERM-UHFFFAOYSA-N 2 2 368.547 0.930 20 0 FCADLP COc1cc(F)cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000449226269 490405606 /nfs/dbraw/zinc/40/56/06/490405606.db2.gz QKOVZPGDBLXSNN-MRXNPFEDSA-N 2 2 351.422 0.857 20 0 FCADLP COC(=O)[C@@H]1C[NH+](CCC(C)CC[N@@H+]2CCO[C@H](C(=O)OC)C2)CCO1 ZINC000411221023 490407657 /nfs/dbraw/zinc/40/76/57/490407657.db2.gz HAWUZFOMYLRPTB-HOTGVXAUSA-N 2 2 372.462 0.150 20 0 FCADLP COC(=O)[C@@H]1C[NH+](CCC(C)CC[N@H+]2CCO[C@H](C(=O)OC)C2)CCO1 ZINC000411221023 490407660 /nfs/dbraw/zinc/40/76/60/490407660.db2.gz HAWUZFOMYLRPTB-HOTGVXAUSA-N 2 2 372.462 0.150 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000571744340 491326037 /nfs/dbraw/zinc/32/60/37/491326037.db2.gz JTKOINKHEQYTCM-YQQAZPJKSA-N 2 2 354.520 0.445 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000535020030 490438236 /nfs/dbraw/zinc/43/82/36/490438236.db2.gz XCHPMWYHJSMJSY-WBVHZDCISA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000535020030 490438244 /nfs/dbraw/zinc/43/82/44/490438244.db2.gz XCHPMWYHJSMJSY-WBVHZDCISA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000535020030 490438249 /nfs/dbraw/zinc/43/82/49/490438249.db2.gz XCHPMWYHJSMJSY-WBVHZDCISA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000535020030 490438255 /nfs/dbraw/zinc/43/82/55/490438255.db2.gz XCHPMWYHJSMJSY-WBVHZDCISA-N 2 2 371.441 0.917 20 0 FCADLP CNc1nc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]c2ccccc21 ZINC000564787954 491326349 /nfs/dbraw/zinc/32/63/49/491326349.db2.gz TVLXRBWQHVPMJE-ZDUSSCGKSA-N 2 2 354.380 0.763 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640520 490439834 /nfs/dbraw/zinc/43/98/34/490439834.db2.gz VRGCNTKDMVSWCG-UPJWGTAASA-N 2 2 351.451 0.841 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640520 490439844 /nfs/dbraw/zinc/43/98/44/490439844.db2.gz VRGCNTKDMVSWCG-UPJWGTAASA-N 2 2 351.451 0.841 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(=O)[nH]c1=O ZINC000422640960 490440033 /nfs/dbraw/zinc/44/00/33/490440033.db2.gz WRKVZHCSRWQEIF-TUAOUCFPSA-N 2 2 351.451 0.429 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(=O)[nH]c1=O ZINC000422640960 490440041 /nfs/dbraw/zinc/44/00/41/490440041.db2.gz WRKVZHCSRWQEIF-TUAOUCFPSA-N 2 2 351.451 0.429 20 0 FCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000468807755 490451076 /nfs/dbraw/zinc/45/10/76/490451076.db2.gz DKGPFZRADCXERB-KRWDZBQOSA-N 2 2 361.490 0.431 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000556676572 491327273 /nfs/dbraw/zinc/32/72/73/491327273.db2.gz AYUJUTPQHMWMBC-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000556676572 491327275 /nfs/dbraw/zinc/32/72/75/491327275.db2.gz AYUJUTPQHMWMBC-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000548281106 490457216 /nfs/dbraw/zinc/45/72/16/490457216.db2.gz NDLFCAGHMIBBHX-MRXNPFEDSA-N 2 2 369.473 0.844 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714588 490464087 /nfs/dbraw/zinc/46/40/87/490464087.db2.gz LDHSXUOMQFSXBH-ZWKOTPCHSA-N 3 2 362.522 0.735 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000548343337 490466281 /nfs/dbraw/zinc/46/62/81/490466281.db2.gz FRSNLRRUVGYGNI-HOCLYGCPSA-N 2 2 351.451 0.662 20 0 FCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000499926903 490470821 /nfs/dbraw/zinc/47/08/21/490470821.db2.gz HKPACLPXYCYTLI-UHFFFAOYSA-N 2 2 362.474 0.982 20 0 FCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000499926903 490470825 /nfs/dbraw/zinc/47/08/25/490470825.db2.gz HKPACLPXYCYTLI-UHFFFAOYSA-N 2 2 362.474 0.982 20 0 FCADLP CCN1CC[NH+](CCC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000468980132 490472498 /nfs/dbraw/zinc/47/24/98/490472498.db2.gz PETFLQYVBLKPOY-UHFFFAOYSA-N 2 2 361.490 0.813 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998309 490483749 /nfs/dbraw/zinc/48/37/49/490483749.db2.gz UTJOJCMGIKULIA-KBXCAEBGSA-N 2 2 355.479 0.629 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998309 490483755 /nfs/dbraw/zinc/48/37/55/490483755.db2.gz UTJOJCMGIKULIA-KBXCAEBGSA-N 2 2 355.479 0.629 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422842829 490485603 /nfs/dbraw/zinc/48/56/03/490485603.db2.gz GPEDZVHCPXRMDS-IRXDYDNUSA-N 3 2 361.490 0.477 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422842829 490485605 /nfs/dbraw/zinc/48/56/05/490485605.db2.gz GPEDZVHCPXRMDS-IRXDYDNUSA-N 2 2 361.490 0.477 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000484992027 490487567 /nfs/dbraw/zinc/48/75/67/490487567.db2.gz XACWAZKNUPRMMW-QWHCGFSZSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000484992027 490487572 /nfs/dbraw/zinc/48/75/72/490487572.db2.gz XACWAZKNUPRMMW-QWHCGFSZSA-N 2 2 351.447 0.998 20 0 FCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCSC1 ZINC000564847398 491330933 /nfs/dbraw/zinc/33/09/33/491330933.db2.gz CNIIJWMWDAVCFY-FZKQIMNGSA-N 2 2 363.483 0.670 20 0 FCADLP CC[C@@H](C)[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1CCN1CCOCC1 ZINC000510363758 490510944 /nfs/dbraw/zinc/51/09/44/490510944.db2.gz TVZYNTADTAUKBV-WOJBJXKFSA-N 2 2 368.566 0.683 20 0 FCADLP CC[C@@H](C)[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1CCN1CCOCC1 ZINC000510363758 490510947 /nfs/dbraw/zinc/51/09/47/490510947.db2.gz TVZYNTADTAUKBV-WOJBJXKFSA-N 2 2 368.566 0.683 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C)C1 ZINC000413906584 490511792 /nfs/dbraw/zinc/51/17/92/490511792.db2.gz RWMHTESQNVZHTK-HOCLYGCPSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C)C1 ZINC000413906584 490511797 /nfs/dbraw/zinc/51/17/97/490511797.db2.gz RWMHTESQNVZHTK-HOCLYGCPSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906584 490511801 /nfs/dbraw/zinc/51/18/01/490511801.db2.gz RWMHTESQNVZHTK-HOCLYGCPSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906584 490511807 /nfs/dbraw/zinc/51/18/07/490511807.db2.gz RWMHTESQNVZHTK-HOCLYGCPSA-N 2 2 353.463 0.193 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423012270 490517049 /nfs/dbraw/zinc/51/70/49/490517049.db2.gz CRBQMVGOKNATCF-HUUCEWRRSA-N 2 2 362.499 0.460 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423016341 490519883 /nfs/dbraw/zinc/51/98/83/490519883.db2.gz MHMHRXDTOSYAIK-CQSZACIVSA-N 2 2 350.488 0.460 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500463001 490520448 /nfs/dbraw/zinc/52/04/48/490520448.db2.gz DEAWKKVQHSFXST-HNNXBMFYSA-N 2 2 361.490 0.802 20 0 FCADLP O=C(CC[N@@H+]1CCN2C(=O)CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000535747518 490521435 /nfs/dbraw/zinc/52/14/35/490521435.db2.gz UKBMGYYJMSXMQT-INIZCTEOSA-N 2 2 357.458 0.427 20 0 FCADLP O=C(CC[N@H+]1CCN2C(=O)CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000535747518 490521441 /nfs/dbraw/zinc/52/14/41/490521441.db2.gz UKBMGYYJMSXMQT-INIZCTEOSA-N 2 2 357.458 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H](C)[NH2+]1 ZINC000423019241 490521537 /nfs/dbraw/zinc/52/15/37/490521537.db2.gz UUVMWQAEFYZSQO-ZIAGYGMSSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423021268 490521751 /nfs/dbraw/zinc/52/17/51/490521751.db2.gz DWMKESQZFGLCLD-SJLPKXTDSA-N 2 2 374.485 0.405 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423025025 490523296 /nfs/dbraw/zinc/52/32/96/490523296.db2.gz NFLQUQGZXBXOHF-IRXDYDNUSA-N 2 2 374.485 0.405 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000423029176 490524548 /nfs/dbraw/zinc/52/45/48/490524548.db2.gz RVCUCOOOWYXDFR-FUHWJXTLSA-N 2 2 358.486 0.960 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000423029176 490524554 /nfs/dbraw/zinc/52/45/54/490524554.db2.gz RVCUCOOOWYXDFR-FUHWJXTLSA-N 2 2 358.486 0.960 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000423058106 490531374 /nfs/dbraw/zinc/53/13/74/490531374.db2.gz IWVDMRBTQGLSKO-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423058213 490532125 /nfs/dbraw/zinc/53/21/25/490532125.db2.gz BPZPDXYNEDOQSL-CVEARBPZSA-N 2 2 364.490 0.988 20 0 FCADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000414073844 490535749 /nfs/dbraw/zinc/53/57/49/490535749.db2.gz GASNGMVPMXIHLR-WBVHZDCISA-N 2 2 362.474 0.544 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000524667089 490549817 /nfs/dbraw/zinc/54/98/17/490549817.db2.gz QYLWINNVBFXPRB-SJORKVTESA-N 3 2 369.554 0.763 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000524667089 490549822 /nfs/dbraw/zinc/54/98/22/490549822.db2.gz QYLWINNVBFXPRB-SJORKVTESA-N 3 2 369.554 0.763 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N(C)CCOC)CC2)CC1 ZINC000564907427 491335567 /nfs/dbraw/zinc/33/55/67/491335567.db2.gz DSOWWDPEYKDQRD-UHFFFAOYSA-N 2 2 362.540 0.301 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N(C)CCOC)CC2)CC1 ZINC000564907427 491335569 /nfs/dbraw/zinc/33/55/69/491335569.db2.gz DSOWWDPEYKDQRD-UHFFFAOYSA-N 2 2 362.540 0.301 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485791211 490559298 /nfs/dbraw/zinc/55/92/98/490559298.db2.gz WKINVWSCFAZKCT-HNNXBMFYSA-N 2 2 371.445 0.364 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](CO)Cc2ccco2)CC1 ZINC000536223348 490562809 /nfs/dbraw/zinc/56/28/09/490562809.db2.gz ASOHVRTZFUQYDE-OAHLLOKOSA-N 2 2 352.479 0.756 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H](O)COc2ccccc2)CC1 ZINC000536229744 490562920 /nfs/dbraw/zinc/56/29/20/490562920.db2.gz ZXRHTJSLZWYQBY-QGZVFWFLSA-N 2 2 364.490 0.752 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C(=O)OC)C1 ZINC000501053264 490575175 /nfs/dbraw/zinc/57/51/75/490575175.db2.gz SWULWYLAJDDMHY-IRXDYDNUSA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C(=O)OC)C1 ZINC000501053264 490575177 /nfs/dbraw/zinc/57/51/77/490575177.db2.gz SWULWYLAJDDMHY-IRXDYDNUSA-N 2 2 369.506 0.829 20 0 FCADLP C[C@](O)(CNC(=O)NCc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000525297678 490593612 /nfs/dbraw/zinc/59/36/12/490593612.db2.gz LNWPCVZUHRKSKW-KRWDZBQOSA-N 2 2 351.451 0.102 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511580306 490604434 /nfs/dbraw/zinc/60/44/34/490604434.db2.gz WVDOYRLLFGMHMJ-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511580306 490604436 /nfs/dbraw/zinc/60/44/36/490604436.db2.gz WVDOYRLLFGMHMJ-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573517 490604544 /nfs/dbraw/zinc/60/45/44/490604544.db2.gz LMAJTFNFDPWVMH-LPHOPBHVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573517 490604547 /nfs/dbraw/zinc/60/45/47/490604547.db2.gz LMAJTFNFDPWVMH-LPHOPBHVSA-N 2 2 370.497 0.930 20 0 FCADLP Cn1cc[nH+]c1CN1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000486350393 490612932 /nfs/dbraw/zinc/61/29/32/490612932.db2.gz DPJBDXRAIKBONC-HNNXBMFYSA-N 2 2 357.462 0.499 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000549943391 490615501 /nfs/dbraw/zinc/61/55/01/490615501.db2.gz YFUXVZFLHLBROZ-OAHLLOKOSA-N 2 2 350.463 0.941 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000549943391 490615508 /nfs/dbraw/zinc/61/55/08/490615508.db2.gz YFUXVZFLHLBROZ-OAHLLOKOSA-N 2 2 350.463 0.941 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000549943390 490615789 /nfs/dbraw/zinc/61/57/89/490615789.db2.gz YFUXVZFLHLBROZ-HNNXBMFYSA-N 2 2 350.463 0.941 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000549943390 490615791 /nfs/dbraw/zinc/61/57/91/490615791.db2.gz YFUXVZFLHLBROZ-HNNXBMFYSA-N 2 2 350.463 0.941 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000549986111 490617258 /nfs/dbraw/zinc/61/72/58/490617258.db2.gz DOLKLAAKUVRQBI-HNNXBMFYSA-N 2 2 371.441 0.653 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000486401231 490619156 /nfs/dbraw/zinc/61/91/56/490619156.db2.gz WVVBXDMAZWDHFI-ZIFCJYIRSA-N 2 2 361.486 0.768 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000486401231 490619164 /nfs/dbraw/zinc/61/91/64/490619164.db2.gz WVVBXDMAZWDHFI-ZIFCJYIRSA-N 2 2 361.486 0.768 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000550081954 490623450 /nfs/dbraw/zinc/62/34/50/490623450.db2.gz FMERKLBTKOVNIW-OAHLLOKOSA-N 2 2 359.430 0.427 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCc1ccc(F)cc1 ZINC000486434804 490623846 /nfs/dbraw/zinc/62/38/46/490623846.db2.gz JINXGTUBLDEBGV-KRWDZBQOSA-N 2 2 362.449 0.381 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCc1ccc(F)cc1 ZINC000486434804 490623858 /nfs/dbraw/zinc/62/38/58/490623858.db2.gz JINXGTUBLDEBGV-KRWDZBQOSA-N 2 2 362.449 0.381 20 0 FCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486440125 490624062 /nfs/dbraw/zinc/62/40/62/490624062.db2.gz ACMRNRSYAZHZDH-MNAZLIDISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486440125 490624069 /nfs/dbraw/zinc/62/40/69/490624069.db2.gz ACMRNRSYAZHZDH-MNAZLIDISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486436246 490624755 /nfs/dbraw/zinc/62/47/55/490624755.db2.gz MKHRIUYMWBFAQU-GXTWGEPZSA-N 2 2 365.865 0.958 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486436246 490624760 /nfs/dbraw/zinc/62/47/60/490624760.db2.gz MKHRIUYMWBFAQU-GXTWGEPZSA-N 2 2 365.865 0.958 20 0 FCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486440129 490624821 /nfs/dbraw/zinc/62/48/21/490624821.db2.gz ACMRNRSYAZHZDH-ODZFXCKXSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486440129 490624825 /nfs/dbraw/zinc/62/48/25/490624825.db2.gz ACMRNRSYAZHZDH-ODZFXCKXSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(N4CCNC4=O)CC3)cn2)CC1 ZINC000511765559 490625992 /nfs/dbraw/zinc/62/59/92/490625992.db2.gz SUKGNJBIRNKRAV-UHFFFAOYSA-N 2 2 359.478 0.218 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448871 490628930 /nfs/dbraw/zinc/62/89/30/490628930.db2.gz SJQGXUABRVJXMQ-GDBMZVCRSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448871 490628934 /nfs/dbraw/zinc/62/89/34/490628934.db2.gz SJQGXUABRVJXMQ-GDBMZVCRSA-N 2 2 362.449 0.727 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)cn1 ZINC000486458106 490630255 /nfs/dbraw/zinc/63/02/55/490630255.db2.gz HWSNSKRTQPKDGE-ZDUSSCGKSA-N 2 2 351.838 0.570 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)cn1 ZINC000486458106 490630258 /nfs/dbraw/zinc/63/02/58/490630258.db2.gz HWSNSKRTQPKDGE-ZDUSSCGKSA-N 2 2 351.838 0.570 20 0 FCADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458631 490631655 /nfs/dbraw/zinc/63/16/55/490631655.db2.gz SBQYUDKUZDALMN-DOTOQJQBSA-N 2 2 372.469 0.697 20 0 FCADLP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458631 490631658 /nfs/dbraw/zinc/63/16/58/490631658.db2.gz SBQYUDKUZDALMN-DOTOQJQBSA-N 2 2 372.469 0.697 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N[C@@H]1CCOc2ccccc21 ZINC000486461150 490633436 /nfs/dbraw/zinc/63/34/36/490633436.db2.gz ONTJTIYPSTZRBO-NVXWUHKLSA-N 2 2 372.469 0.523 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N[C@@H]1CCOc2ccccc21 ZINC000486461150 490633438 /nfs/dbraw/zinc/63/34/38/490633438.db2.gz ONTJTIYPSTZRBO-NVXWUHKLSA-N 2 2 372.469 0.523 20 0 FCADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460239 490633515 /nfs/dbraw/zinc/63/35/15/490633515.db2.gz MIFICLOPQKUPAS-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460239 490633518 /nfs/dbraw/zinc/63/35/18/490633518.db2.gz MIFICLOPQKUPAS-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486463683 490634445 /nfs/dbraw/zinc/63/44/45/490634445.db2.gz SBZRWMVJTRKIRY-MRXNPFEDSA-N 2 2 354.495 0.062 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486463683 490634449 /nfs/dbraw/zinc/63/44/49/490634449.db2.gz SBZRWMVJTRKIRY-MRXNPFEDSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000556888555 491342650 /nfs/dbraw/zinc/34/26/50/491342650.db2.gz AERBXNUWQJEPEK-OAHLLOKOSA-N 2 2 367.519 0.485 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000556888555 491342652 /nfs/dbraw/zinc/34/26/52/491342652.db2.gz AERBXNUWQJEPEK-OAHLLOKOSA-N 2 2 367.519 0.485 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277359 490651298 /nfs/dbraw/zinc/65/12/98/490651298.db2.gz LYAUJTLPZNIQFJ-NVXWUHKLSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277359 490651302 /nfs/dbraw/zinc/65/13/02/490651302.db2.gz LYAUJTLPZNIQFJ-NVXWUHKLSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000550279484 490653003 /nfs/dbraw/zinc/65/30/03/490653003.db2.gz NCPQIGNCALXGNM-KRWDZBQOSA-N 2 2 368.522 0.308 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000537178500 490657162 /nfs/dbraw/zinc/65/71/62/490657162.db2.gz KVRXXMPEFOETNP-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000537178500 490657170 /nfs/dbraw/zinc/65/71/70/490657170.db2.gz KVRXXMPEFOETNP-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000537178500 490657172 /nfs/dbraw/zinc/65/71/72/490657172.db2.gz KVRXXMPEFOETNP-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564984941 491343341 /nfs/dbraw/zinc/34/33/41/491343341.db2.gz LGEQPFGAXDADJT-IRXDYDNUSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564984941 491343343 /nfs/dbraw/zinc/34/33/43/491343343.db2.gz LGEQPFGAXDADJT-IRXDYDNUSA-N 2 2 350.507 0.633 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CCN(c3ncccn3)CC2)s1 ZINC000512137186 490661441 /nfs/dbraw/zinc/66/14/41/490661441.db2.gz UFFOBGOLUCZTJR-UHFFFAOYSA-N 2 2 361.519 0.907 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000550359121 490662976 /nfs/dbraw/zinc/66/29/76/490662976.db2.gz KGEARQXJFBRZKZ-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000550359121 490662981 /nfs/dbraw/zinc/66/29/81/490662981.db2.gz KGEARQXJFBRZKZ-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000550446540 490670753 /nfs/dbraw/zinc/67/07/53/490670753.db2.gz VUKOTOICMMUTNT-UHFFFAOYSA-N 2 2 366.425 0.603 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550448863 490670760 /nfs/dbraw/zinc/67/07/60/490670760.db2.gz GVXLSVOGNNCXHP-UHFFFAOYSA-N 2 2 351.451 0.005 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)C1(n2cccn2)CC[NH2+]CC1 ZINC000572044095 491345137 /nfs/dbraw/zinc/34/51/37/491345137.db2.gz XWBMJWCIAZIRNW-UHFFFAOYSA-N 2 2 370.457 0.510 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000512370389 490677909 /nfs/dbraw/zinc/67/79/09/490677909.db2.gz QDUSIISHALBISM-OALUTQOASA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000512370389 490677911 /nfs/dbraw/zinc/67/79/11/490677911.db2.gz QDUSIISHALBISM-OALUTQOASA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC000527084056 490697806 /nfs/dbraw/zinc/69/78/06/490697806.db2.gz XGKFCUHFGLGDRP-KRWDZBQOSA-N 2 2 356.536 0.978 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H](O)C[NH+]3CCC(C)CC3)ccc2[nH+]1 ZINC000538061939 490707225 /nfs/dbraw/zinc/70/72/25/490707225.db2.gz CVFDSZJPLILTKR-INIZCTEOSA-N 2 2 373.457 0.790 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000538121311 490714723 /nfs/dbraw/zinc/71/47/23/490714723.db2.gz VLFWSXIJYXYBES-UHFFFAOYSA-N 2 2 358.381 0.959 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000538121311 490714726 /nfs/dbraw/zinc/71/47/26/490714726.db2.gz VLFWSXIJYXYBES-UHFFFAOYSA-N 2 2 358.381 0.959 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1CC[NH+]1CCOCC1 ZINC000538158555 490716401 /nfs/dbraw/zinc/71/64/01/490716401.db2.gz GZAOMSVQRWZINZ-GOSISDBHSA-N 3 2 350.507 0.384 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000538149329 490716808 /nfs/dbraw/zinc/71/68/08/490716808.db2.gz VFGOAOMVYJQDMC-OAHLLOKOSA-N 2 2 351.451 0.942 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@H](C)C1 ZINC000538149329 490716812 /nfs/dbraw/zinc/71/68/12/490716812.db2.gz VFGOAOMVYJQDMC-OAHLLOKOSA-N 2 2 351.451 0.942 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)[C@H](C)C1 ZINC000538181270 490718382 /nfs/dbraw/zinc/71/83/82/490718382.db2.gz CJEQNCKHKBSKQN-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)[C@H](C)C1 ZINC000538181270 490718385 /nfs/dbraw/zinc/71/83/85/490718385.db2.gz CJEQNCKHKBSKQN-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@H](C)C1 ZINC000538181270 490718389 /nfs/dbraw/zinc/71/83/89/490718389.db2.gz CJEQNCKHKBSKQN-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)[C@H](C)C1 ZINC000538181270 490718392 /nfs/dbraw/zinc/71/83/92/490718392.db2.gz CJEQNCKHKBSKQN-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCC[NH+]2C)cn1 ZINC000527447036 490724958 /nfs/dbraw/zinc/72/49/58/490724958.db2.gz FDNYYQLIXKWACW-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)cn1 ZINC000527447036 490724964 /nfs/dbraw/zinc/72/49/64/490724964.db2.gz FDNYYQLIXKWACW-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000527447036 490724966 /nfs/dbraw/zinc/72/49/66/490724966.db2.gz FDNYYQLIXKWACW-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502851742 490725343 /nfs/dbraw/zinc/72/53/43/490725343.db2.gz SFETZBCTMYEYEW-ARFHVFGLSA-N 2 2 359.474 0.623 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C[NH+](C)C ZINC000513464164 490731338 /nfs/dbraw/zinc/73/13/38/490731338.db2.gz VFLRJROQAGNUIC-CQSZACIVSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C[NH+](C)C ZINC000513464164 490731343 /nfs/dbraw/zinc/73/13/43/490731343.db2.gz VFLRJROQAGNUIC-CQSZACIVSA-N 2 2 356.511 0.306 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000502982221 490734001 /nfs/dbraw/zinc/73/40/01/490734001.db2.gz QVYCGMQIKAXKGM-UHFFFAOYSA-N 2 2 358.446 0.711 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)O1 ZINC000527547978 490735303 /nfs/dbraw/zinc/73/53/03/490735303.db2.gz BSOSYQFFYMOGEM-BSWAZPDLSA-N 2 2 367.469 0.510 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)O1 ZINC000527547978 490735305 /nfs/dbraw/zinc/73/53/05/490735305.db2.gz BSOSYQFFYMOGEM-BSWAZPDLSA-N 2 2 367.469 0.510 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)O1 ZINC000527547978 490735308 /nfs/dbraw/zinc/73/53/08/490735308.db2.gz BSOSYQFFYMOGEM-BSWAZPDLSA-N 2 2 367.469 0.510 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)O1 ZINC000527547978 490735311 /nfs/dbraw/zinc/73/53/11/490735311.db2.gz BSOSYQFFYMOGEM-BSWAZPDLSA-N 2 2 367.469 0.510 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)O1 ZINC000527551160 490737163 /nfs/dbraw/zinc/73/71/63/490737163.db2.gz GPODTNVUTZYQOA-CZUORRHYSA-N 2 2 361.446 0.127 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)O1 ZINC000527551160 490737164 /nfs/dbraw/zinc/73/71/64/490737164.db2.gz GPODTNVUTZYQOA-CZUORRHYSA-N 2 2 361.446 0.127 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184787 490750446 /nfs/dbraw/zinc/75/04/46/490750446.db2.gz JMECPDQCQAAVLD-ZWKOTPCHSA-N 2 2 368.522 0.896 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184787 490750447 /nfs/dbraw/zinc/75/04/47/490750447.db2.gz JMECPDQCQAAVLD-ZWKOTPCHSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000527769239 490758859 /nfs/dbraw/zinc/75/88/59/490758859.db2.gz YTHSCKNRLUGTRE-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527806800 490761125 /nfs/dbraw/zinc/76/11/25/490761125.db2.gz MMSDKPDAHPUTCS-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)n1C ZINC000527809688 490761296 /nfs/dbraw/zinc/76/12/96/490761296.db2.gz QZSJKNXGZWZOOG-UHFFFAOYSA-N 2 2 364.494 0.882 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C(=O)NCC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000514673131 490780774 /nfs/dbraw/zinc/78/07/74/490780774.db2.gz POQDMEQEUQASHW-HNNXBMFYSA-N 2 2 359.474 0.900 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557135787 491356107 /nfs/dbraw/zinc/35/61/07/491356107.db2.gz ZHSGSHMPXMUGOY-YESZJQIVSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557135787 491356108 /nfs/dbraw/zinc/35/61/08/491356108.db2.gz ZHSGSHMPXMUGOY-YESZJQIVSA-N 2 2 368.522 0.448 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)n2C ZINC000539783201 490795750 /nfs/dbraw/zinc/79/57/50/490795750.db2.gz ICHQPDIHAUCCGM-AWEZNQCLSA-N 2 2 372.473 0.971 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154444 491356801 /nfs/dbraw/zinc/35/68/01/491356801.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 3 2 359.518 0.835 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154444 491356803 /nfs/dbraw/zinc/35/68/03/491356803.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154444 491356804 /nfs/dbraw/zinc/35/68/04/491356804.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154444 491356807 /nfs/dbraw/zinc/35/68/07/491356807.db2.gz KNFZCQGINFDMGE-MOPGFXCFSA-N 3 2 359.518 0.835 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000515016088 490803166 /nfs/dbraw/zinc/80/31/66/490803166.db2.gz PEMREQMTEZPZCB-BFYDXBDKSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000515016088 490803167 /nfs/dbraw/zinc/80/31/67/490803167.db2.gz PEMREQMTEZPZCB-BFYDXBDKSA-N 2 2 364.490 0.051 20 0 FCADLP COCCOc1cc(C)ccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515047975 490804987 /nfs/dbraw/zinc/80/49/87/490804987.db2.gz ZNZOYIALVVEACJ-INIZCTEOSA-N 2 2 350.463 0.805 20 0 FCADLP COCCOc1cc(C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515047975 490804989 /nfs/dbraw/zinc/80/49/89/490804989.db2.gz ZNZOYIALVVEACJ-INIZCTEOSA-N 2 2 350.463 0.805 20 0 FCADLP C[C@H]1C[NH+](CCOC2CC[NH+](CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000540245323 490810802 /nfs/dbraw/zinc/81/08/02/490810802.db2.gz QYZPQHMSIFNFJB-IRXDYDNUSA-N 2 2 369.506 0.435 20 0 FCADLP COCCc1noc(CC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000528620987 490814008 /nfs/dbraw/zinc/81/40/08/490814008.db2.gz SHBDTPQICKLHDL-INIZCTEOSA-N 2 2 352.479 0.968 20 0 FCADLP COCCc1noc(CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000528620987 490814009 /nfs/dbraw/zinc/81/40/09/490814009.db2.gz SHBDTPQICKLHDL-INIZCTEOSA-N 2 2 352.479 0.968 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000540327284 490817568 /nfs/dbraw/zinc/81/75/68/490817568.db2.gz AMSGZYWDMDAGEY-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000540327284 490817572 /nfs/dbraw/zinc/81/75/72/490817572.db2.gz AMSGZYWDMDAGEY-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000540327284 490817574 /nfs/dbraw/zinc/81/75/74/490817574.db2.gz AMSGZYWDMDAGEY-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000540327284 490817576 /nfs/dbraw/zinc/81/75/76/490817576.db2.gz AMSGZYWDMDAGEY-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CC[NH2+]C34CCC4)ccn2)CC1 ZINC000528686276 490819281 /nfs/dbraw/zinc/81/92/81/490819281.db2.gz PQLHDAVCBJSIRM-INIZCTEOSA-N 2 2 372.473 0.875 20 0 FCADLP COC[C@](C)(CNC(=O)[C@@H](C)[NH+]1CC(C)C1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000565186553 491358634 /nfs/dbraw/zinc/35/86/34/491358634.db2.gz XESYTXMHVJQBSD-GJYPPUQNSA-N 2 2 368.522 0.304 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000505726927 490838185 /nfs/dbraw/zinc/83/81/85/490838185.db2.gz VQRRUOZEUKXEGF-HOTGVXAUSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000505726927 490838188 /nfs/dbraw/zinc/83/81/88/490838188.db2.gz VQRRUOZEUKXEGF-HOTGVXAUSA-N 2 2 359.536 0.686 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000557240727 491361403 /nfs/dbraw/zinc/36/14/03/491361403.db2.gz DRPBPXQBQHFFBM-QGZVFWFLSA-N 2 2 361.490 0.296 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000506031423 490848728 /nfs/dbraw/zinc/84/87/28/490848728.db2.gz KLRMYKHMKHOXDG-LSDHHAIUSA-N 2 2 362.478 0.708 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000506031423 490848730 /nfs/dbraw/zinc/84/87/30/490848730.db2.gz KLRMYKHMKHOXDG-LSDHHAIUSA-N 2 2 362.478 0.708 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000516065907 490849087 /nfs/dbraw/zinc/84/90/87/490849087.db2.gz XSHAVQYHDLTAQO-CYBMUJFWSA-N 2 2 365.478 0.171 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000516065907 490849090 /nfs/dbraw/zinc/84/90/90/490849090.db2.gz XSHAVQYHDLTAQO-CYBMUJFWSA-N 2 2 365.478 0.171 20 0 FCADLP C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000529309412 490849674 /nfs/dbraw/zinc/84/96/74/490849674.db2.gz VZGGUVYSAXEFTE-BQFCYCMXSA-N 2 2 368.522 0.896 20 0 FCADLP COc1c(N)[nH+]cnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000516088713 490850379 /nfs/dbraw/zinc/85/03/79/490850379.db2.gz NZYFEARCALUKAZ-UHFFFAOYSA-N 2 2 362.478 0.886 20 0 FCADLP COc1c(N)nc[nH+]c1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000516088713 490850381 /nfs/dbraw/zinc/85/03/81/490850381.db2.gz NZYFEARCALUKAZ-UHFFFAOYSA-N 2 2 362.478 0.886 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000516173862 490854795 /nfs/dbraw/zinc/85/47/95/490854795.db2.gz GHXPFTZUKIHUJI-DZGCQCFKSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000516327016 490860507 /nfs/dbraw/zinc/86/05/07/490860507.db2.gz LMYFLQBXRGTRLL-NCOADZHNSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000516327016 490860509 /nfs/dbraw/zinc/86/05/09/490860509.db2.gz LMYFLQBXRGTRLL-NCOADZHNSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)[nH+]c12 ZINC000541436824 490862380 /nfs/dbraw/zinc/86/23/80/490862380.db2.gz MOEMGSYLOLSURI-UHFFFAOYSA-N 2 2 372.469 0.871 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000557249667 491362356 /nfs/dbraw/zinc/36/23/56/491362356.db2.gz QHDLEEZPYKNSHY-CVEARBPZSA-N 2 2 363.462 0.067 20 0 FCADLP COCCOc1cc2c(cc1C[N@@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)OCO2 ZINC000565233081 491362645 /nfs/dbraw/zinc/36/26/45/491362645.db2.gz IXCSYHKSNJGZAV-KGLIPLIRSA-N 2 2 363.414 0.184 20 0 FCADLP COCCOc1cc2c(cc1C[N@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)OCO2 ZINC000565233081 491362647 /nfs/dbraw/zinc/36/26/47/491362647.db2.gz IXCSYHKSNJGZAV-KGLIPLIRSA-N 2 2 363.414 0.184 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000516647006 490872546 /nfs/dbraw/zinc/87/25/46/490872546.db2.gz BUNFTPKZOWCZEE-GOSISDBHSA-N 2 2 374.485 0.468 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529755186 490873831 /nfs/dbraw/zinc/87/38/31/490873831.db2.gz ZLFLXRHNRWJZNQ-HNAYVOBHSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529755186 490873832 /nfs/dbraw/zinc/87/38/32/490873832.db2.gz ZLFLXRHNRWJZNQ-HNAYVOBHSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)ccn12 ZINC000529754158 490874264 /nfs/dbraw/zinc/87/42/64/490874264.db2.gz TXLMZZYDGSODKI-LJQANCHMSA-N 2 2 358.442 0.988 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)ccn12 ZINC000529754158 490874266 /nfs/dbraw/zinc/87/42/66/490874266.db2.gz TXLMZZYDGSODKI-LJQANCHMSA-N 2 2 358.442 0.988 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000516751419 490876317 /nfs/dbraw/zinc/87/63/17/490876317.db2.gz BLGRPZLGLQFTLE-ZBFHGGJFSA-N 2 2 364.515 0.897 20 0 FCADLP COCCNC(=O)CN1CC[NH+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000516869347 490882054 /nfs/dbraw/zinc/88/20/54/490882054.db2.gz GFNJAWRVELEJHL-KRWDZBQOSA-N 2 2 364.490 0.118 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)CCSCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000517555844 490911395 /nfs/dbraw/zinc/91/13/95/490911395.db2.gz DXGISVWPZQHOFO-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCSCCC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000517555844 490911397 /nfs/dbraw/zinc/91/13/97/490911397.db2.gz DXGISVWPZQHOFO-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCSCCC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000517555844 490911399 /nfs/dbraw/zinc/91/13/99/490911399.db2.gz DXGISVWPZQHOFO-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CN(CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000517556010 490911423 /nfs/dbraw/zinc/91/14/23/490911423.db2.gz BZDQJKQXJPOKEM-HNNXBMFYSA-N 2 2 359.467 0.491 20 0 FCADLP CN(CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000517556010 490911426 /nfs/dbraw/zinc/91/14/26/490911426.db2.gz BZDQJKQXJPOKEM-HNNXBMFYSA-N 2 2 359.467 0.491 20 0 FCADLP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517575656 490913067 /nfs/dbraw/zinc/91/30/67/490913067.db2.gz BTVYQKRTPRPKFF-YESZJQIVSA-N 2 2 356.511 0.488 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000517574149 490913227 /nfs/dbraw/zinc/91/32/27/490913227.db2.gz IJNPSDGJFORUCD-INIZCTEOSA-N 2 2 356.511 0.489 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1=O ZINC000543050605 490920101 /nfs/dbraw/zinc/92/01/01/490920101.db2.gz KNTSDTWVAOCEBG-BZUAXINKSA-N 2 2 374.489 0.647 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000543050605 490920104 /nfs/dbraw/zinc/92/01/04/490920104.db2.gz KNTSDTWVAOCEBG-BZUAXINKSA-N 2 2 374.489 0.647 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000543079478 490921182 /nfs/dbraw/zinc/92/11/82/490921182.db2.gz KUXWBZXIYQSYTO-NVXWUHKLSA-N 2 2 368.522 0.402 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000543079478 490921184 /nfs/dbraw/zinc/92/11/84/490921184.db2.gz KUXWBZXIYQSYTO-NVXWUHKLSA-N 2 2 368.522 0.402 20 0 FCADLP Cc1n[nH]cc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517986098 490927222 /nfs/dbraw/zinc/92/72/22/490927222.db2.gz WRUBBQMLSPCTOT-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000530866494 490928754 /nfs/dbraw/zinc/92/87/54/490928754.db2.gz QJZYZOBPDNIRBY-OAHLLOKOSA-N 2 2 350.467 0.679 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000530866494 490928756 /nfs/dbraw/zinc/92/87/56/490928756.db2.gz QJZYZOBPDNIRBY-OAHLLOKOSA-N 2 2 350.467 0.679 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000572401602 491368027 /nfs/dbraw/zinc/36/80/27/491368027.db2.gz SOLFZVXMAJVQSG-NSHDSACASA-N 2 2 356.373 0.119 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000518381873 490938804 /nfs/dbraw/zinc/93/88/04/490938804.db2.gz ZTYRLGNCQKJSJE-UHFFFAOYSA-N 2 2 371.489 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000572401602 491368029 /nfs/dbraw/zinc/36/80/29/491368029.db2.gz SOLFZVXMAJVQSG-NSHDSACASA-N 2 2 356.373 0.119 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000518733972 490949485 /nfs/dbraw/zinc/94/94/85/490949485.db2.gz LSAVKOLLHXJXPG-HNNXBMFYSA-N 2 2 351.426 0.230 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000518733972 490949488 /nfs/dbraw/zinc/94/94/88/490949488.db2.gz LSAVKOLLHXJXPG-HNNXBMFYSA-N 2 2 351.426 0.230 20 0 FCADLP CN(c1ncnc2c1CCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518843375 490953474 /nfs/dbraw/zinc/95/34/74/490953474.db2.gz GMPLSEOTVANOKP-UHFFFAOYSA-N 2 2 372.517 0.640 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378613 490955184 /nfs/dbraw/zinc/95/51/84/490955184.db2.gz HBLSUZIZPLPIDJ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378613 490955186 /nfs/dbraw/zinc/95/51/86/490955186.db2.gz HBLSUZIZPLPIDJ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378613 490955188 /nfs/dbraw/zinc/95/51/88/490955188.db2.gz HBLSUZIZPLPIDJ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378613 490955191 /nfs/dbraw/zinc/95/51/91/490955191.db2.gz HBLSUZIZPLPIDJ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978790 490957408 /nfs/dbraw/zinc/95/74/08/490957408.db2.gz CODZAGVGTULCNZ-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978790 490957413 /nfs/dbraw/zinc/95/74/13/490957413.db2.gz CODZAGVGTULCNZ-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+]1CCCCC1 ZINC000544330873 490965367 /nfs/dbraw/zinc/96/53/67/490965367.db2.gz RMIZPJUKVYVMIU-OAHLLOKOSA-N 2 2 353.511 0.842 20 0 FCADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000519223087 490965876 /nfs/dbraw/zinc/96/58/76/490965876.db2.gz RAFHIWULNAHOGI-GOEBONIOSA-N 2 2 359.536 0.732 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000544382068 490967201 /nfs/dbraw/zinc/96/72/01/490967201.db2.gz NQUWCOMHEDDFSD-MAUKXSAKSA-N 2 2 372.469 0.983 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)C[C@@H](C)O1 ZINC000544401056 490968026 /nfs/dbraw/zinc/96/80/26/490968026.db2.gz WLRASCPHQVDUEY-ZIAGYGMSSA-N 2 2 353.467 0.199 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3=CC[N@H+](C)CC3)ccn2)CC1 ZINC000544591911 490973200 /nfs/dbraw/zinc/97/32/00/490973200.db2.gz JPKZXFZNPWRARW-UHFFFAOYSA-N 2 2 372.473 0.853 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3=CC[N@@H+](C)CC3)ccn2)CC1 ZINC000544591911 490973202 /nfs/dbraw/zinc/97/32/02/490973202.db2.gz JPKZXFZNPWRARW-UHFFFAOYSA-N 2 2 372.473 0.853 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000519653902 490982398 /nfs/dbraw/zinc/98/23/98/490982398.db2.gz MCGFRKZCGVNAHE-NILFDRSVSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000519653902 490982400 /nfs/dbraw/zinc/98/24/00/490982400.db2.gz MCGFRKZCGVNAHE-NILFDRSVSA-N 2 2 352.460 0.332 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000532348789 490991515 /nfs/dbraw/zinc/99/15/15/490991515.db2.gz MBSONKXTDBUCEH-ZWKOTPCHSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000532348789 490991516 /nfs/dbraw/zinc/99/15/16/490991516.db2.gz MBSONKXTDBUCEH-ZWKOTPCHSA-N 2 2 367.538 0.517 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612441396 491917484 /nfs/dbraw/zinc/91/74/84/491917484.db2.gz ZDEAWORXSDAOQF-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612441396 491917486 /nfs/dbraw/zinc/91/74/86/491917486.db2.gz ZDEAWORXSDAOQF-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612481158 491924112 /nfs/dbraw/zinc/92/41/12/491924112.db2.gz QVAINMSRDCZVCH-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477106 491925940 /nfs/dbraw/zinc/92/59/40/491925940.db2.gz BWYIZRWZDOPVDH-ZDUSSCGKSA-N 2 2 370.475 0.168 20 0 FCADLP CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477106 491925943 /nfs/dbraw/zinc/92/59/43/491925943.db2.gz BWYIZRWZDOPVDH-ZDUSSCGKSA-N 2 2 370.475 0.168 20 0 FCADLP CN(C(=O)[C@@]12CCC(=O)N1CCS2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479292 491926281 /nfs/dbraw/zinc/92/62/81/491926281.db2.gz UMAVNXNAUSOGDL-QAPCUYQASA-N 2 2 366.531 0.679 20 0 FCADLP CN(C(=O)[C@@]12CCC(=O)N1CCS2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479292 491926284 /nfs/dbraw/zinc/92/62/84/491926284.db2.gz UMAVNXNAUSOGDL-QAPCUYQASA-N 2 2 366.531 0.679 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000596048972 491973763 /nfs/dbraw/zinc/97/37/63/491973763.db2.gz XEOOJUYPVRTEEJ-CMPLNLGQSA-N 2 2 366.384 0.606 20 0 FCADLP CC(C)[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)NC(=O)Cc1c[nH+]cn1C ZINC000683136520 493334846 /nfs/dbraw/zinc/33/48/46/493334846.db2.gz QBMZBKJGONVCIZ-INIZCTEOSA-N 2 2 360.462 0.538 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000569549157 491167270 /nfs/dbraw/zinc/16/72/70/491167270.db2.gz IPOPZZYDTRHNKT-UHFFFAOYSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH2+]CCc1ccccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000569582625 491171109 /nfs/dbraw/zinc/17/11/09/491171109.db2.gz XEVGLNGBKOOJJV-UHFFFAOYSA-N 2 2 368.485 0.791 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000569721096 491185621 /nfs/dbraw/zinc/18/56/21/491185621.db2.gz WRSRZQUOWINOKO-GOSISDBHSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000557560899 491382919 /nfs/dbraw/zinc/38/29/19/491382919.db2.gz LTPXWQTYGMRFBA-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000557560899 491382920 /nfs/dbraw/zinc/38/29/20/491382920.db2.gz LTPXWQTYGMRFBA-HYVNUMGLSA-N 2 2 366.506 0.345 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572663153 491385317 /nfs/dbraw/zinc/38/53/17/491385317.db2.gz HCXCFULKXMEPCQ-DOTOQJQBSA-N 2 2 360.458 0.158 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572663153 491385321 /nfs/dbraw/zinc/38/53/21/491385321.db2.gz HCXCFULKXMEPCQ-DOTOQJQBSA-N 2 2 360.458 0.158 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514003 493339366 /nfs/dbraw/zinc/33/93/66/493339366.db2.gz DZJBFDTXFOMMNL-RCCFBDPRSA-N 2 2 353.507 0.791 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514003 493339369 /nfs/dbraw/zinc/33/93/69/493339369.db2.gz DZJBFDTXFOMMNL-RCCFBDPRSA-N 2 2 353.507 0.791 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000660280924 493339641 /nfs/dbraw/zinc/33/96/41/493339641.db2.gz KQONFYXAHWAAIP-CVEARBPZSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000660280924 493339646 /nfs/dbraw/zinc/33/96/46/493339646.db2.gz KQONFYXAHWAAIP-CVEARBPZSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000660281351 493339693 /nfs/dbraw/zinc/33/96/93/493339693.db2.gz XRIOPDTZOSFLPQ-CABCVRRESA-N 2 2 362.478 0.023 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000660281351 493339695 /nfs/dbraw/zinc/33/96/95/493339695.db2.gz XRIOPDTZOSFLPQ-CABCVRRESA-N 2 2 362.478 0.023 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000572740490 491390686 /nfs/dbraw/zinc/39/06/86/491390686.db2.gz ZVDLLPSTWWZBMV-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000557706425 491392612 /nfs/dbraw/zinc/39/26/12/491392612.db2.gz GJRUXGXYRQDJSP-ZMSDIMECSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000557706425 491392614 /nfs/dbraw/zinc/39/26/14/491392614.db2.gz GJRUXGXYRQDJSP-ZMSDIMECSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000557708558 491393223 /nfs/dbraw/zinc/39/32/23/491393223.db2.gz RJTHXLKVACERKN-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000557708558 491393225 /nfs/dbraw/zinc/39/32/25/491393225.db2.gz RJTHXLKVACERKN-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000557741922 491395512 /nfs/dbraw/zinc/39/55/12/491395512.db2.gz KNZYVEMNAXFGHR-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000557741922 491395514 /nfs/dbraw/zinc/39/55/14/491395514.db2.gz KNZYVEMNAXFGHR-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557741922 491395515 /nfs/dbraw/zinc/39/55/15/491395515.db2.gz KNZYVEMNAXFGHR-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000557741922 491395516 /nfs/dbraw/zinc/39/55/16/491395516.db2.gz KNZYVEMNAXFGHR-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000557754029 491396647 /nfs/dbraw/zinc/39/66/47/491396647.db2.gz JRUFEDLAYQOUKO-MRXNPFEDSA-N 2 2 364.494 0.594 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000557754029 491396649 /nfs/dbraw/zinc/39/66/49/491396649.db2.gz JRUFEDLAYQOUKO-MRXNPFEDSA-N 2 2 364.494 0.594 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000565788548 491400047 /nfs/dbraw/zinc/40/00/47/491400047.db2.gz UHPRBXKYAXKBJM-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000565890893 491405504 /nfs/dbraw/zinc/40/55/04/491405504.db2.gz XTBDZFVTKRBZLO-DOTOQJQBSA-N 2 2 350.507 0.825 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000557976473 491407002 /nfs/dbraw/zinc/40/70/02/491407002.db2.gz RHXXSAQNFRJBHO-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000566006026 491411909 /nfs/dbraw/zinc/41/19/09/491411909.db2.gz MSRIDBCWMNFTMD-QGZVFWFLSA-N 2 2 354.458 0.938 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000566006026 491411912 /nfs/dbraw/zinc/41/19/12/491411912.db2.gz MSRIDBCWMNFTMD-QGZVFWFLSA-N 2 2 354.458 0.938 20 0 FCADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cn2c1 ZINC000566021214 491413509 /nfs/dbraw/zinc/41/35/09/491413509.db2.gz QJDFMQHCHSEYLI-HUUCEWRRSA-N 2 2 373.482 0.646 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558228242 491421084 /nfs/dbraw/zinc/42/10/84/491421084.db2.gz HMKMIRSHJHYKKF-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000566165428 491421972 /nfs/dbraw/zinc/42/19/72/491421972.db2.gz SEFZIZUOEFDIAO-OAHLLOKOSA-N 2 2 374.551 0.285 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000566165428 491421976 /nfs/dbraw/zinc/42/19/76/491421976.db2.gz SEFZIZUOEFDIAO-OAHLLOKOSA-N 2 2 374.551 0.285 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000668374211 493342137 /nfs/dbraw/zinc/34/21/37/493342137.db2.gz VQPHELFXBFCPNH-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)c[nH+]2)CCO1 ZINC000566166877 491422148 /nfs/dbraw/zinc/42/21/48/491422148.db2.gz GVRBHRWXRKGPCF-ZDUSSCGKSA-N 2 2 359.434 0.177 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000558307115 491424830 /nfs/dbraw/zinc/42/48/30/491424830.db2.gz NRVIVBQNBGWHEZ-UHFFFAOYSA-N 2 2 373.482 0.654 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000558394558 491428461 /nfs/dbraw/zinc/42/84/61/491428461.db2.gz HIVUTTIGEHTNRS-BZSNNMDCSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000558394558 491428465 /nfs/dbraw/zinc/42/84/65/491428465.db2.gz HIVUTTIGEHTNRS-BZSNNMDCSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000558394558 491428468 /nfs/dbraw/zinc/42/84/68/491428468.db2.gz HIVUTTIGEHTNRS-BZSNNMDCSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000558394558 491428471 /nfs/dbraw/zinc/42/84/71/491428471.db2.gz HIVUTTIGEHTNRS-BZSNNMDCSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000558394559 491428592 /nfs/dbraw/zinc/42/85/92/491428592.db2.gz HIVUTTIGEHTNRS-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000558394559 491428593 /nfs/dbraw/zinc/42/85/93/491428593.db2.gz HIVUTTIGEHTNRS-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000558394559 491428595 /nfs/dbraw/zinc/42/85/95/491428595.db2.gz HIVUTTIGEHTNRS-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000558394559 491428596 /nfs/dbraw/zinc/42/85/96/491428596.db2.gz HIVUTTIGEHTNRS-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000566244155 491430044 /nfs/dbraw/zinc/43/00/44/491430044.db2.gz CWFOLWVCIRXCJG-BHYGNILZSA-N 2 2 365.499 0.766 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000566244155 491430046 /nfs/dbraw/zinc/43/00/46/491430046.db2.gz CWFOLWVCIRXCJG-BHYGNILZSA-N 2 2 365.499 0.766 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)(N2CCOCC2)CC1 ZINC000566286183 491432842 /nfs/dbraw/zinc/43/28/42/491432842.db2.gz HSORVYRJXWGPNV-INIZCTEOSA-N 2 2 361.490 0.358 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000566355735 491439051 /nfs/dbraw/zinc/43/90/51/491439051.db2.gz JSFVXSNEDQNONS-INIZCTEOSA-N 2 2 359.536 0.863 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000566391546 491440877 /nfs/dbraw/zinc/44/08/77/491440877.db2.gz IMJTYMYTFSSWAM-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000566391546 491440879 /nfs/dbraw/zinc/44/08/79/491440879.db2.gz IMJTYMYTFSSWAM-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000566391544 491440908 /nfs/dbraw/zinc/44/09/08/491440908.db2.gz IMJTYMYTFSSWAM-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000566391544 491440910 /nfs/dbraw/zinc/44/09/10/491440910.db2.gz IMJTYMYTFSSWAM-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000566455960 491444968 /nfs/dbraw/zinc/44/49/68/491444968.db2.gz RKPOBEMNWXLTLM-IBGZPJMESA-N 2 2 360.458 0.100 20 0 FCADLP C[C@@H]1CN(C(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)C[C@@]1(C)C[NH3+] ZINC000573668694 491447181 /nfs/dbraw/zinc/44/71/81/491447181.db2.gz DXCZBBGFRVRAMB-HBUWYVDXSA-N 2 2 361.494 0.602 20 0 FCADLP C[C@@H]1CN(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)C[C@@]1(C)C[NH3+] ZINC000573668694 491447184 /nfs/dbraw/zinc/44/71/84/491447184.db2.gz DXCZBBGFRVRAMB-HBUWYVDXSA-N 2 2 361.494 0.602 20 0 FCADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1(C)C ZINC000573763692 491453257 /nfs/dbraw/zinc/45/32/57/491453257.db2.gz RJYVDWPUFUESDA-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1(C)C ZINC000573763692 491453259 /nfs/dbraw/zinc/45/32/59/491453259.db2.gz RJYVDWPUFUESDA-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000566559828 491453339 /nfs/dbraw/zinc/45/33/39/491453339.db2.gz ZFCOTPYTWQCNCA-ZACQAIPSSA-N 2 2 366.506 0.286 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573898482 491461689 /nfs/dbraw/zinc/46/16/89/491461689.db2.gz ZMPUHYCOTFSFFX-MRXNPFEDSA-N 2 2 361.494 0.334 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573898482 491461690 /nfs/dbraw/zinc/46/16/90/491461690.db2.gz ZMPUHYCOTFSFFX-MRXNPFEDSA-N 2 2 361.494 0.334 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCN(CCO)C3=O)c2cc1C ZINC000573920668 491462985 /nfs/dbraw/zinc/46/29/85/491462985.db2.gz SWTCFAZMGNONJE-CVEARBPZSA-N 2 2 360.458 0.587 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000573920528 491463026 /nfs/dbraw/zinc/46/30/26/491463026.db2.gz PYESWMPWNHDQJR-HUUCEWRRSA-N 2 2 361.490 0.615 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000559376863 491468614 /nfs/dbraw/zinc/46/86/14/491468614.db2.gz AASVGPHBNGNYEK-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000559389273 491469417 /nfs/dbraw/zinc/46/94/17/491469417.db2.gz TVIRLMIPPFUQAG-CABCVRRESA-N 2 2 371.441 0.860 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC1C2CC3CC(C2)CC1C3 ZINC000574040688 491471035 /nfs/dbraw/zinc/47/10/35/491471035.db2.gz VOJXSQNUJJADFL-RSQNZQOJSA-N 2 2 374.529 0.824 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC1C2CC3CC(C2)CC1C3 ZINC000574040688 491471037 /nfs/dbraw/zinc/47/10/37/491471037.db2.gz VOJXSQNUJJADFL-RSQNZQOJSA-N 2 2 374.529 0.824 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000559435176 491472497 /nfs/dbraw/zinc/47/24/97/491472497.db2.gz YOCFHZHWXXWUJZ-KRWDZBQOSA-N 2 2 355.442 0.638 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559435176 491472499 /nfs/dbraw/zinc/47/24/99/491472499.db2.gz YOCFHZHWXXWUJZ-KRWDZBQOSA-N 2 2 355.442 0.638 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000574077816 491473267 /nfs/dbraw/zinc/47/32/67/491473267.db2.gz AZAFHAPRADOZGG-IAGOWNOFSA-N 2 2 351.495 0.934 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000559475786 491476207 /nfs/dbraw/zinc/47/62/07/491476207.db2.gz QOBZJJZCJHPZTA-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000559475786 491476209 /nfs/dbraw/zinc/47/62/09/491476209.db2.gz QOBZJJZCJHPZTA-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000559554558 491480770 /nfs/dbraw/zinc/48/07/70/491480770.db2.gz PXVYYXBQJBNABB-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552296 491480783 /nfs/dbraw/zinc/48/07/83/491480783.db2.gz SVWSIZQDHZISGY-SJORKVTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552296 491480784 /nfs/dbraw/zinc/48/07/84/491480784.db2.gz SVWSIZQDHZISGY-SJORKVTESA-N 2 2 368.522 0.258 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574201105 491480895 /nfs/dbraw/zinc/48/08/95/491480895.db2.gz KRIPZGIDIUCLAF-OAHLLOKOSA-N 2 2 354.520 0.285 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000574201105 491480896 /nfs/dbraw/zinc/48/08/96/491480896.db2.gz KRIPZGIDIUCLAF-OAHLLOKOSA-N 2 2 354.520 0.285 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000567046975 491482454 /nfs/dbraw/zinc/48/24/54/491482454.db2.gz BMEDATMWIOABLC-LSDHHAIUSA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000567046975 491482457 /nfs/dbraw/zinc/48/24/57/491482457.db2.gz BMEDATMWIOABLC-LSDHHAIUSA-N 2 2 363.462 0.422 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000559615945 491487005 /nfs/dbraw/zinc/48/70/05/491487005.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000559615945 491487006 /nfs/dbraw/zinc/48/70/06/491487006.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(c2nc(NC(C)C)nc(NCCO)[nH+]2)C1 ZINC000559615945 491487008 /nfs/dbraw/zinc/48/70/08/491487008.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(NC(C)C)nc(NCCO)[nH+]2)C1 ZINC000559615945 491487009 /nfs/dbraw/zinc/48/70/09/491487009.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(c2nc(NCCO)nc(NC(C)C)[nH+]2)C1 ZINC000559615945 491487011 /nfs/dbraw/zinc/48/70/11/491487011.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(NCCO)nc(NC(C)C)[nH+]2)C1 ZINC000559615945 491487012 /nfs/dbraw/zinc/48/70/12/491487012.db2.gz CTRLMABMEOSFFV-AWEZNQCLSA-N 2 2 351.499 0.108 20 0 FCADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1C[NH2+]C1 ZINC000567159539 491489028 /nfs/dbraw/zinc/48/90/28/491489028.db2.gz WZPFVKKATRDIKY-AWEZNQCLSA-N 2 2 352.504 0.320 20 0 FCADLP CC(CC(=O)N1CC(n2cc[nH+]c2)C1)CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000574391046 491493073 /nfs/dbraw/zinc/49/30/73/491493073.db2.gz QHRMDYMKHGBAGF-UHFFFAOYSA-N 2 2 356.430 0.963 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000559755387 491495841 /nfs/dbraw/zinc/49/58/41/491495841.db2.gz LNEHVARANQJOKG-HOTGVXAUSA-N 2 2 354.495 0.062 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)no1 ZINC000567270532 491496238 /nfs/dbraw/zinc/49/62/38/491496238.db2.gz CQWMIEKQHFKPFP-IRXDYDNUSA-N 2 2 358.442 1.537 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)no1 ZINC000567270532 491496241 /nfs/dbraw/zinc/49/62/41/491496241.db2.gz CQWMIEKQHFKPFP-IRXDYDNUSA-N 2 2 358.442 1.537 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000574450270 491497748 /nfs/dbraw/zinc/49/77/48/491497748.db2.gz KMMBSFRTUWVCEV-STQMWFEESA-N 2 2 362.478 0.708 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1(CO)CCOCC1 ZINC000567301702 491498310 /nfs/dbraw/zinc/49/83/10/491498310.db2.gz IQMFFZKCPMNENP-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1(CO)CCOCC1 ZINC000567301702 491498312 /nfs/dbraw/zinc/49/83/12/491498312.db2.gz IQMFFZKCPMNENP-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000559794965 491500294 /nfs/dbraw/zinc/50/02/94/491500294.db2.gz SCPBAKSAQZGGPM-CALCHBBNSA-N 2 2 368.522 0.261 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000559794965 491500297 /nfs/dbraw/zinc/50/02/97/491500297.db2.gz SCPBAKSAQZGGPM-CALCHBBNSA-N 2 2 368.522 0.261 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000567340993 491500910 /nfs/dbraw/zinc/50/09/10/491500910.db2.gz MMLZKHVKUCXIES-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3COC[C@H]3OC)CC2)cc1 ZINC000567383019 491502872 /nfs/dbraw/zinc/50/28/72/491502872.db2.gz GZRUIDAEIWLDCV-QZTJIDSGSA-N 2 2 363.458 0.343 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572266 491505806 /nfs/dbraw/zinc/50/58/06/491505806.db2.gz MBPIDYHOKSNZTD-CVEARBPZSA-N 2 2 363.458 0.356 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572266 491505808 /nfs/dbraw/zinc/50/58/08/491505808.db2.gz MBPIDYHOKSNZTD-CVEARBPZSA-N 2 2 363.458 0.356 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000574572422 491505965 /nfs/dbraw/zinc/50/59/65/491505965.db2.gz TWZHJOMNUXQDCZ-MSOLQXFVSA-N 2 2 356.470 0.399 20 0 FCADLP C[N@@H+]1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000574636272 491509862 /nfs/dbraw/zinc/50/98/62/491509862.db2.gz SQOFKAVAEQBMAU-OFLPRAFFSA-N 2 2 350.507 0.953 20 0 FCADLP C[N@H+]1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000574636272 491509864 /nfs/dbraw/zinc/50/98/64/491509864.db2.gz SQOFKAVAEQBMAU-OFLPRAFFSA-N 2 2 350.507 0.953 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000574718322 491515772 /nfs/dbraw/zinc/51/57/72/491515772.db2.gz NSLJYCYIYDVCKE-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000574718322 491515774 /nfs/dbraw/zinc/51/57/74/491515774.db2.gz NSLJYCYIYDVCKE-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000574742607 491517045 /nfs/dbraw/zinc/51/70/45/491517045.db2.gz UYKZNCBMIFBWQM-SFHVURJKSA-N 2 2 362.474 0.771 20 0 FCADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567603994 491517246 /nfs/dbraw/zinc/51/72/46/491517246.db2.gz MBKODBABTYKZFP-OAGGEKHMSA-N 2 2 360.524 0.004 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000683375101 493347942 /nfs/dbraw/zinc/34/79/42/493347942.db2.gz HTSYPGMLUJRIBC-FUHWJXTLSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000683375101 493347945 /nfs/dbraw/zinc/34/79/45/493347945.db2.gz HTSYPGMLUJRIBC-FUHWJXTLSA-N 2 2 367.538 0.375 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc1 ZINC000574807844 491521040 /nfs/dbraw/zinc/52/10/40/491521040.db2.gz CRMQNYJDISBORR-UHFFFAOYSA-N 2 2 360.458 0.161 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH2+]CC3=O)CC2)cc1 ZINC000574807844 491521041 /nfs/dbraw/zinc/52/10/41/491521041.db2.gz CRMQNYJDISBORR-UHFFFAOYSA-N 2 2 360.458 0.161 20 0 FCADLP O=C1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@H](C2CC2)N1 ZINC000560264394 491527092 /nfs/dbraw/zinc/52/70/92/491527092.db2.gz AKMOFIAXEWWTRM-HKUYNNGSSA-N 2 2 350.507 0.430 20 0 FCADLP O=C1CC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@H](C2CC2)N1 ZINC000560264394 491527093 /nfs/dbraw/zinc/52/70/93/491527093.db2.gz AKMOFIAXEWWTRM-HKUYNNGSSA-N 2 2 350.507 0.430 20 0 FCADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)s1 ZINC000567872150 491536468 /nfs/dbraw/zinc/53/64/68/491536468.db2.gz LPEHKSGDUHMTHA-AWEZNQCLSA-N 2 2 352.508 0.182 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000575060958 491537006 /nfs/dbraw/zinc/53/70/06/491537006.db2.gz SNEQRNQDCKNNJT-UONOGXRCSA-N 2 2 353.488 0.831 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000575060957 491537158 /nfs/dbraw/zinc/53/71/58/491537158.db2.gz SNEQRNQDCKNNJT-KGLIPLIRSA-N 2 2 353.488 0.831 20 0 FCADLP COCc1noc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000567891104 491538590 /nfs/dbraw/zinc/53/85/90/491538590.db2.gz CVXJOPPWVWRGBI-BFHYXJOUSA-N 2 2 351.451 0.857 20 0 FCADLP COCc1noc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000567891104 491538594 /nfs/dbraw/zinc/53/85/94/491538594.db2.gz CVXJOPPWVWRGBI-BFHYXJOUSA-N 2 2 351.451 0.857 20 0 FCADLP CCCCn1c(N)c(N(CC)C(=O)C[NH2+]CC2([NH3+])CCC2)c(=O)[nH]c1=O ZINC000567891260 491539021 /nfs/dbraw/zinc/53/90/21/491539021.db2.gz SXZOVEHZYNWYAR-UHFFFAOYSA-N 2 2 366.466 0.155 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000575170785 491543118 /nfs/dbraw/zinc/54/31/18/491543118.db2.gz CFJYLVJPAGSJOX-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000575170785 491543119 /nfs/dbraw/zinc/54/31/19/491543119.db2.gz CFJYLVJPAGSJOX-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)CC1 ZINC000575178429 491543669 /nfs/dbraw/zinc/54/36/69/491543669.db2.gz ZJCOFDHOUMLHIJ-INIZCTEOSA-N 2 2 365.503 0.546 20 0 FCADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(=O)[nH]n1 ZINC000560529286 491543994 /nfs/dbraw/zinc/54/39/94/491543994.db2.gz MCNMJQUPCCUHEQ-CQSZACIVSA-N 2 2 356.430 0.967 20 0 FCADLP COC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)OC ZINC000567982033 491544767 /nfs/dbraw/zinc/54/47/67/491544767.db2.gz IYFHYZXQOLTOBA-JKSUJKDBSA-N 2 2 360.414 0.105 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000575196668 491545009 /nfs/dbraw/zinc/54/50/09/491545009.db2.gz SVGPEFHEMZZNCG-ROUUACIJSA-N 2 2 372.513 0.887 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000575196668 491545011 /nfs/dbraw/zinc/54/50/11/491545011.db2.gz SVGPEFHEMZZNCG-ROUUACIJSA-N 2 2 372.513 0.887 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2)CC1 ZINC000575233885 491546834 /nfs/dbraw/zinc/54/68/34/491546834.db2.gz MHHJPQCIZJHVGV-SFHVURJKSA-N 3 2 360.506 0.935 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000575321899 491548944 /nfs/dbraw/zinc/54/89/44/491548944.db2.gz NAJFLLOUAZNYJR-UHFFFAOYSA-N 2 2 373.432 0.919 20 0 FCADLP [NH3+]CCC1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000568052244 491550346 /nfs/dbraw/zinc/55/03/46/491550346.db2.gz TVLQWQSJOACAPY-UHFFFAOYSA-N 2 2 365.522 0.701 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000568049465 491550458 /nfs/dbraw/zinc/55/04/58/491550458.db2.gz DOYUOVBWHFFNOE-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000568061273 491550972 /nfs/dbraw/zinc/55/09/72/491550972.db2.gz ZWPCOYRBRSVCEE-IAGOWNOFSA-N 2 2 373.501 0.121 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560728198 491553603 /nfs/dbraw/zinc/55/36/03/491553603.db2.gz MTDRHZOCAUNSAC-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](O)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575435633 491554946 /nfs/dbraw/zinc/55/49/46/491554946.db2.gz YHHSUGFQSIAELA-KRWDZBQOSA-N 2 2 353.507 0.985 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](O)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575435633 491554947 /nfs/dbraw/zinc/55/49/47/491554947.db2.gz YHHSUGFQSIAELA-KRWDZBQOSA-N 2 2 353.507 0.985 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000575782747 491560926 /nfs/dbraw/zinc/56/09/26/491560926.db2.gz PJYCNSBBWKLMEU-IIAWOOMASA-N 2 2 355.442 0.835 20 0 FCADLP COc1ccccc1N1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000568231825 491561831 /nfs/dbraw/zinc/56/18/31/491561831.db2.gz PHZNXTZYAWGAGR-KGLIPLIRSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccccc1N1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000568231825 491561832 /nfs/dbraw/zinc/56/18/32/491561832.db2.gz PHZNXTZYAWGAGR-KGLIPLIRSA-N 2 2 361.446 0.085 20 0 FCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000568249427 491562082 /nfs/dbraw/zinc/56/20/82/491562082.db2.gz QDEQYGOYJZOFPK-JKSUJKDBSA-N 3 2 367.519 0.393 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000560903275 491563667 /nfs/dbraw/zinc/56/36/67/491563667.db2.gz UTSUXEMSPQONGK-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000560903275 491563670 /nfs/dbraw/zinc/56/36/70/491563670.db2.gz UTSUXEMSPQONGK-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000575900239 491568618 /nfs/dbraw/zinc/56/86/18/491568618.db2.gz SDXJWBGVBTWJHJ-QZTJIDSGSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C[NH3+])C1 ZINC000575898643 491568639 /nfs/dbraw/zinc/56/86/39/491568639.db2.gz SDAKYQWAPGVSDK-INIZCTEOSA-N 3 2 353.511 0.306 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c(OC)c1 ZINC000560992572 491568964 /nfs/dbraw/zinc/56/89/64/491568964.db2.gz VLGHNHKKBXZNNX-GFCCVEGCSA-N 2 2 366.418 0.597 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c(OC)c1 ZINC000560992572 491568965 /nfs/dbraw/zinc/56/89/65/491568965.db2.gz VLGHNHKKBXZNNX-GFCCVEGCSA-N 2 2 366.418 0.597 20 0 FCADLP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000568396274 491574231 /nfs/dbraw/zinc/57/42/31/491574231.db2.gz BWJGHTSHNZNOQN-SFHVURJKSA-N 2 2 360.502 0.978 20 0 FCADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000568396274 491574232 /nfs/dbraw/zinc/57/42/32/491574232.db2.gz BWJGHTSHNZNOQN-SFHVURJKSA-N 2 2 360.502 0.978 20 0 FCADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000561157968 491579027 /nfs/dbraw/zinc/57/90/27/491579027.db2.gz HGUACBLXJHCDQA-CEXWTWQISA-N 2 2 358.486 0.791 20 0 FCADLP C[NH+]1CCN(C[C@H](NC(=O)NCC(F)(F)C[NH3+])c2ccccc2)CC1 ZINC000561156181 491579094 /nfs/dbraw/zinc/57/90/94/491579094.db2.gz QTDHZOMLWFQESA-HNNXBMFYSA-N 2 2 355.433 0.868 20 0 FCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000576058226 491579476 /nfs/dbraw/zinc/57/94/76/491579476.db2.gz DEAIDZNWVOGOOH-RISCZKNCSA-N 2 2 351.476 0.792 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000576057886 491579522 /nfs/dbraw/zinc/57/95/22/491579522.db2.gz QFBOKGYSAJDRBP-OAHLLOKOSA-N 2 2 370.457 0.564 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000561180717 491581103 /nfs/dbraw/zinc/58/11/03/491581103.db2.gz AXQQZWFQFZYFCD-WBVHZDCISA-N 2 2 365.522 0.700 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000683421167 493352264 /nfs/dbraw/zinc/35/22/64/493352264.db2.gz RHRMGBHYNDMXFH-INIZCTEOSA-N 2 2 352.479 0.357 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427814 493352562 /nfs/dbraw/zinc/35/25/62/493352562.db2.gz SEYXYUXYYXUTEK-JKSUJKDBSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427814 493352564 /nfs/dbraw/zinc/35/25/64/493352564.db2.gz SEYXYUXYYXUTEK-JKSUJKDBSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000577081555 491587662 /nfs/dbraw/zinc/58/76/62/491587662.db2.gz NVAVOPFZZXQGCN-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000577082024 491587976 /nfs/dbraw/zinc/58/79/76/491587976.db2.gz OIHNHCPZGQLJNJ-IBGZPJMESA-N 2 2 352.523 0.631 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000577082024 491587980 /nfs/dbraw/zinc/58/79/80/491587980.db2.gz OIHNHCPZGQLJNJ-IBGZPJMESA-N 2 2 352.523 0.631 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561243415 491588560 /nfs/dbraw/zinc/58/85/60/491588560.db2.gz NQRPJDKCFKDAAF-HZPDHXFCSA-N 2 2 354.495 0.250 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000561249887 491589317 /nfs/dbraw/zinc/58/93/17/491589317.db2.gz YJYULDKIHKPBCI-LLVKDONJSA-N 2 2 361.368 0.614 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000561249887 491589320 /nfs/dbraw/zinc/58/93/20/491589320.db2.gz YJYULDKIHKPBCI-LLVKDONJSA-N 2 2 361.368 0.614 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC000584427751 491590824 /nfs/dbraw/zinc/59/08/24/491590824.db2.gz MNRNNZPOKTZQMR-UHFFFAOYSA-N 2 2 362.478 0.045 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC000584427751 491590827 /nfs/dbraw/zinc/59/08/27/491590827.db2.gz MNRNNZPOKTZQMR-UHFFFAOYSA-N 2 2 362.478 0.045 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000561273156 491592586 /nfs/dbraw/zinc/59/25/86/491592586.db2.gz AGRCUUKIVYPNQC-KGLIPLIRSA-N 2 2 361.471 0.795 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCn4cc[nH+]c4C3)CC2)c1 ZINC000576206711 491592637 /nfs/dbraw/zinc/59/26/37/491592637.db2.gz QZWKVFUQGBGPGY-UHFFFAOYSA-N 2 2 354.414 0.278 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000561275679 491593680 /nfs/dbraw/zinc/59/36/80/491593680.db2.gz KVFTZEWMDRBQPJ-OWCLPIDISA-N 2 2 361.490 0.798 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000561275679 491593683 /nfs/dbraw/zinc/59/36/83/491593683.db2.gz KVFTZEWMDRBQPJ-OWCLPIDISA-N 2 2 361.490 0.798 20 0 FCADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000568626057 491594134 /nfs/dbraw/zinc/59/41/34/491594134.db2.gz NLMJDEQGOVHIJE-IRXDYDNUSA-N 2 2 350.507 0.955 20 0 FCADLP [NH3+]CC(=O)NCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000568637544 491595907 /nfs/dbraw/zinc/59/59/07/491595907.db2.gz QWWCZOROJKJTAL-UHFFFAOYSA-N 2 2 353.426 0.335 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000660470335 493353978 /nfs/dbraw/zinc/35/39/78/493353978.db2.gz NWXNGRKBQMTLPP-QGZVFWFLSA-N 2 2 367.453 0.958 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000660470335 493353979 /nfs/dbraw/zinc/35/39/79/493353979.db2.gz NWXNGRKBQMTLPP-QGZVFWFLSA-N 2 2 367.453 0.958 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000576265109 491598342 /nfs/dbraw/zinc/59/83/42/491598342.db2.gz XUWCTKLZSUMJNM-HZPDHXFCSA-N 2 2 359.474 0.791 20 0 FCADLP NC(=O)C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000568671860 491599695 /nfs/dbraw/zinc/59/96/95/491599695.db2.gz LUWCPABATCIINZ-LJQANCHMSA-N 2 2 360.502 0.989 20 0 FCADLP NC(=O)C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000568671860 491599697 /nfs/dbraw/zinc/59/96/97/491599697.db2.gz LUWCPABATCIINZ-LJQANCHMSA-N 2 2 360.502 0.989 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000577196459 491601502 /nfs/dbraw/zinc/60/15/02/491601502.db2.gz JLVLGMQDJMYUPE-MRXNPFEDSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000577196459 491601505 /nfs/dbraw/zinc/60/15/05/491601505.db2.gz JLVLGMQDJMYUPE-MRXNPFEDSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584540603 491602052 /nfs/dbraw/zinc/60/20/52/491602052.db2.gz FWEXOHQZSSNXAU-VNHYZAJKSA-N 2 2 353.426 0.806 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584540603 491602056 /nfs/dbraw/zinc/60/20/56/491602056.db2.gz FWEXOHQZSSNXAU-VNHYZAJKSA-N 2 2 353.426 0.806 20 0 FCADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OCC(=O)N(C)C)c1 ZINC000577204944 491602404 /nfs/dbraw/zinc/60/24/04/491602404.db2.gz SPRTZTGBQAVMPK-AWEZNQCLSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OCC(=O)N(C)C)c1 ZINC000577204944 491602408 /nfs/dbraw/zinc/60/24/08/491602408.db2.gz SPRTZTGBQAVMPK-AWEZNQCLSA-N 2 2 363.462 0.569 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)[C@@H](C[NH3+])C1 ZINC000568728172 491603380 /nfs/dbraw/zinc/60/33/80/491603380.db2.gz BIXMKSUDWATEDH-ZDUSSCGKSA-N 2 2 374.424 0.785 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)[C@@H](C[NH3+])C1 ZINC000568728172 491603381 /nfs/dbraw/zinc/60/33/81/491603381.db2.gz BIXMKSUDWATEDH-ZDUSSCGKSA-N 2 2 374.424 0.785 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000576456023 491615995 /nfs/dbraw/zinc/61/59/95/491615995.db2.gz QNZCGYPGPHNINL-BZSNNMDCSA-N 2 2 354.539 0.421 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000576456023 491615997 /nfs/dbraw/zinc/61/59/97/491615997.db2.gz QNZCGYPGPHNINL-BZSNNMDCSA-N 2 2 354.539 0.421 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1=O ZINC000568894105 491618133 /nfs/dbraw/zinc/61/81/33/491618133.db2.gz LOQMVMOFENIJDH-CABCVRRESA-N 2 2 351.451 0.130 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1=O ZINC000568894105 491618136 /nfs/dbraw/zinc/61/81/36/491618136.db2.gz LOQMVMOFENIJDH-CABCVRRESA-N 2 2 351.451 0.130 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000577413069 491620401 /nfs/dbraw/zinc/62/04/01/491620401.db2.gz WRLNWVXBEWVLES-ZOBUZTSGSA-N 2 2 360.458 0.122 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000577413069 491620404 /nfs/dbraw/zinc/62/04/04/491620404.db2.gz WRLNWVXBEWVLES-ZOBUZTSGSA-N 2 2 360.458 0.122 20 0 FCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)[C@@H]2C1 ZINC000577418547 491621017 /nfs/dbraw/zinc/62/10/17/491621017.db2.gz ANAMHONMUDOYMV-KCCGOUDNSA-N 2 2 353.507 0.693 20 0 FCADLP CCC[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576520891 491622066 /nfs/dbraw/zinc/62/20/66/491622066.db2.gz NPHKQYLUTUFPNO-MRXNPFEDSA-N 3 2 367.538 0.071 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000568994537 491625444 /nfs/dbraw/zinc/62/54/44/491625444.db2.gz GOAGTJZGLYIJOE-HNNXBMFYSA-N 2 2 353.511 0.522 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000568994537 491625446 /nfs/dbraw/zinc/62/54/46/491625446.db2.gz GOAGTJZGLYIJOE-HNNXBMFYSA-N 2 2 353.511 0.522 20 0 FCADLP Cn1c2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2[nH+]c1C1CC1 ZINC000568999307 491625958 /nfs/dbraw/zinc/62/59/58/491625958.db2.gz ZTNQJYYLMFHQIQ-AWEZNQCLSA-N 2 2 355.442 0.935 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569001489 491625982 /nfs/dbraw/zinc/62/59/82/491625982.db2.gz BDCKVXLOQAETHD-ZIAGYGMSSA-N 2 2 366.849 0.209 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569001489 491625984 /nfs/dbraw/zinc/62/59/84/491625984.db2.gz BDCKVXLOQAETHD-ZIAGYGMSSA-N 2 2 366.849 0.209 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000576602885 491628520 /nfs/dbraw/zinc/62/85/20/491628520.db2.gz OMSMBIWMYYPZMW-KBPBESRZSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000576602885 491628523 /nfs/dbraw/zinc/62/85/23/491628523.db2.gz OMSMBIWMYYPZMW-KBPBESRZSA-N 2 2 368.503 0.304 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCCN(Cc1ccccn1)C(=O)Cn1cc[nH+]c1 ZINC000561782096 491630089 /nfs/dbraw/zinc/63/00/89/491630089.db2.gz PTRQLOYDYDKOIF-UHFFFAOYSA-N 2 2 367.413 0.320 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000561796412 491631273 /nfs/dbraw/zinc/63/12/73/491631273.db2.gz AYULZSGOOLXUDR-OAHLLOKOSA-N 2 2 373.432 0.831 20 0 FCADLP CCSCCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000561825545 491632474 /nfs/dbraw/zinc/63/24/74/491632474.db2.gz XCZWHIBMAWQPDY-UHFFFAOYSA-N 2 2 358.552 0.730 20 0 FCADLP CCSCCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000561825545 491632478 /nfs/dbraw/zinc/63/24/78/491632478.db2.gz XCZWHIBMAWQPDY-UHFFFAOYSA-N 2 2 358.552 0.730 20 0 FCADLP Cn1cc([C@@H]2C[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526925 493357331 /nfs/dbraw/zinc/35/73/31/493357331.db2.gz QHZGPXZEFZUWOM-ZCNNSNEGSA-N 2 2 358.486 0.921 20 0 FCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526925 493357335 /nfs/dbraw/zinc/35/73/35/493357335.db2.gz QHZGPXZEFZUWOM-ZCNNSNEGSA-N 2 2 358.486 0.921 20 0 FCADLP Cn1cc([C@@H]2C[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526925 493357336 /nfs/dbraw/zinc/35/73/36/493357336.db2.gz QHZGPXZEFZUWOM-ZCNNSNEGSA-N 2 2 358.486 0.921 20 0 FCADLP Cn1cc([C@@H]2C[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526925 493357339 /nfs/dbraw/zinc/35/73/39/493357339.db2.gz QHZGPXZEFZUWOM-ZCNNSNEGSA-N 2 2 358.486 0.921 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)C2 ZINC000576736914 491640510 /nfs/dbraw/zinc/64/05/10/491640510.db2.gz VGYRFWXMKJQPHD-FUHWJXTLSA-N 2 2 362.474 0.704 20 0 FCADLP OC[C@@H]1CSCC[N@@H+]1Cc1cncc(C[NH+]2CCSC[C@@H]2CO)c1 ZINC000577706424 491643775 /nfs/dbraw/zinc/64/37/75/491643775.db2.gz RPMKKMRLHCQBKH-CALCHBBNSA-N 2 2 369.556 0.901 20 0 FCADLP OC[C@@H]1CSCC[N@H+]1Cc1cncc(C[NH+]2CCSC[C@@H]2CO)c1 ZINC000577706424 491643779 /nfs/dbraw/zinc/64/37/79/491643779.db2.gz RPMKKMRLHCQBKH-CALCHBBNSA-N 2 2 369.556 0.901 20 0 FCADLP OC[C@@H]1CSCC[NH+]1Cc1cncc(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000577706424 491643782 /nfs/dbraw/zinc/64/37/82/491643782.db2.gz RPMKKMRLHCQBKH-CALCHBBNSA-N 2 2 369.556 0.901 20 0 FCADLP OC[C@@H]1CSCC[NH+]1Cc1cncc(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000577706424 491643783 /nfs/dbraw/zinc/64/37/83/491643783.db2.gz RPMKKMRLHCQBKH-CALCHBBNSA-N 2 2 369.556 0.901 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000577715800 491644735 /nfs/dbraw/zinc/64/47/35/491644735.db2.gz AMYJMGFKICKIIP-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000577715800 491644736 /nfs/dbraw/zinc/64/47/36/491644736.db2.gz AMYJMGFKICKIIP-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000577715800 491644737 /nfs/dbraw/zinc/64/47/37/491644737.db2.gz AMYJMGFKICKIIP-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000577715800 491644738 /nfs/dbraw/zinc/64/47/38/491644738.db2.gz AMYJMGFKICKIIP-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000577722469 491645860 /nfs/dbraw/zinc/64/58/60/491645860.db2.gz ALEXHRASBBPLEM-KRWDZBQOSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000577722469 491645864 /nfs/dbraw/zinc/64/58/64/491645864.db2.gz ALEXHRASBBPLEM-KRWDZBQOSA-N 2 2 368.522 0.402 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H](c2ccccc2)C1 ZINC000577739791 491648027 /nfs/dbraw/zinc/64/80/27/491648027.db2.gz NPBWFFBNOHEVFV-KSZLIROESA-N 2 2 356.470 0.855 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H](c2ccccc2)C1 ZINC000577739791 491648030 /nfs/dbraw/zinc/64/80/30/491648030.db2.gz NPBWFFBNOHEVFV-KSZLIROESA-N 2 2 356.470 0.855 20 0 FCADLP CC(C)[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000576888135 491654607 /nfs/dbraw/zinc/65/46/07/491654607.db2.gz GQQKJWCLUVLUMH-UHFFFAOYSA-N 2 2 368.503 0.237 20 0 FCADLP NC(=O)c1ccc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000577854106 491657233 /nfs/dbraw/zinc/65/72/33/491657233.db2.gz CPOMPNYVAFRLAR-PMACEKPBSA-N 2 2 368.481 0.838 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000562192559 491658446 /nfs/dbraw/zinc/65/84/46/491658446.db2.gz MITJXEGXYUAIDT-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000562192559 491658448 /nfs/dbraw/zinc/65/84/48/491658448.db2.gz MITJXEGXYUAIDT-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000562192559 491658451 /nfs/dbraw/zinc/65/84/51/491658451.db2.gz MITJXEGXYUAIDT-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000562192559 491658453 /nfs/dbraw/zinc/65/84/53/491658453.db2.gz MITJXEGXYUAIDT-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000576962915 491660860 /nfs/dbraw/zinc/66/08/60/491660860.db2.gz KUIAQRXYVIDMPO-HOCLYGCPSA-N 2 2 361.490 0.867 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000578054505 491668822 /nfs/dbraw/zinc/66/88/22/491668822.db2.gz JJDPGYXLYGCUNW-KRWDZBQOSA-N 2 2 373.501 0.122 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000578150915 491671032 /nfs/dbraw/zinc/67/10/32/491671032.db2.gz OHCJWVIIQRXLRX-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000578150915 491671033 /nfs/dbraw/zinc/67/10/33/491671033.db2.gz OHCJWVIIQRXLRX-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@H]1CCCCC(=O)N1)[C@@H]1CC12CC[NH2+]CC2 ZINC000578237970 491672996 /nfs/dbraw/zinc/67/29/96/491672996.db2.gz DZUVQZCVGPPVAH-HUUCEWRRSA-N 2 2 359.474 0.950 20 0 FCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000578459808 491677711 /nfs/dbraw/zinc/67/77/11/491677711.db2.gz GEYCWXFSYPBSSX-HOTGVXAUSA-N 2 2 363.462 0.101 20 0 FCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000578459808 491677712 /nfs/dbraw/zinc/67/77/12/491677712.db2.gz GEYCWXFSYPBSSX-HOTGVXAUSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000578733979 491683020 /nfs/dbraw/zinc/68/30/20/491683020.db2.gz CHEHIPUKKYPWOO-NUJGCVRESA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000578733979 491683021 /nfs/dbraw/zinc/68/30/21/491683021.db2.gz CHEHIPUKKYPWOO-NUJGCVRESA-N 2 2 373.501 0.886 20 0 FCADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+](C)CC(=O)NCc2ccccc2)C1=O ZINC000578813018 491684965 /nfs/dbraw/zinc/68/49/65/491684965.db2.gz UJWLUBCPQAMEQH-MRXNPFEDSA-N 2 2 360.458 0.314 20 0 FCADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2)C1=O ZINC000578813018 491684966 /nfs/dbraw/zinc/68/49/66/491684966.db2.gz UJWLUBCPQAMEQH-MRXNPFEDSA-N 2 2 360.458 0.314 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000578860179 491685852 /nfs/dbraw/zinc/68/58/52/491685852.db2.gz NYLBCYFGYZAXFE-FMKPAKJESA-N 2 2 371.503 0.154 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000578981036 491688185 /nfs/dbraw/zinc/68/81/85/491688185.db2.gz AYMOEGMDEUYVDG-QAETUUGQSA-N 2 2 366.506 0.380 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000578986048 491688331 /nfs/dbraw/zinc/68/83/31/491688331.db2.gz NJAQEZWDZINFPQ-GOSISDBHSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043268 491689845 /nfs/dbraw/zinc/68/98/45/491689845.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043268 491689846 /nfs/dbraw/zinc/68/98/46/491689846.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043268 491689847 /nfs/dbraw/zinc/68/98/47/491689847.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043268 491689848 /nfs/dbraw/zinc/68/98/48/491689848.db2.gz AJTINHNIZUSCFM-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCCC[NH2+]1 ZINC000579111843 491691121 /nfs/dbraw/zinc/69/11/21/491691121.db2.gz WCCYZCMATPWVNI-HZPDHXFCSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCCC[NH2+]1 ZINC000579111843 491691122 /nfs/dbraw/zinc/69/11/22/491691122.db2.gz WCCYZCMATPWVNI-HZPDHXFCSA-N 2 2 374.489 0.540 20 0 FCADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000579227173 491693368 /nfs/dbraw/zinc/69/33/68/491693368.db2.gz RICNCBWCHTVOFN-INIZCTEOSA-N 2 2 360.458 0.634 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000579349868 491696146 /nfs/dbraw/zinc/69/61/46/491696146.db2.gz YQHKRNWAVQJGDS-QGZVFWFLSA-N 2 2 373.461 0.589 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533071 491699877 /nfs/dbraw/zinc/69/98/77/491699877.db2.gz UOENMLCZFUQEIH-YOEHRIQHSA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533071 491699878 /nfs/dbraw/zinc/69/98/78/491699878.db2.gz UOENMLCZFUQEIH-YOEHRIQHSA-N 2 2 352.504 0.547 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)C1 ZINC000579548137 491700289 /nfs/dbraw/zinc/70/02/89/491700289.db2.gz RZGADGUXCNUZCW-GOSISDBHSA-N 2 2 362.478 0.775 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)C1 ZINC000579548137 491700290 /nfs/dbraw/zinc/70/02/90/491700290.db2.gz RZGADGUXCNUZCW-GOSISDBHSA-N 2 2 362.478 0.775 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000579613646 491701647 /nfs/dbraw/zinc/70/16/47/491701647.db2.gz XPRUFZPCMJSUNB-CKEIUWERSA-N 2 2 356.430 0.739 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)C[C@H](C)O1 ZINC000579710402 491703537 /nfs/dbraw/zinc/70/35/37/491703537.db2.gz LGVWAGZVLSCCKA-ATLSCFEFSA-N 2 2 356.507 0.614 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)C[C@H](C)O1 ZINC000579710402 491703538 /nfs/dbraw/zinc/70/35/38/491703538.db2.gz LGVWAGZVLSCCKA-ATLSCFEFSA-N 2 2 356.507 0.614 20 0 FCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000579833744 491706265 /nfs/dbraw/zinc/70/62/65/491706265.db2.gz GJGMKAFZQNVJIK-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000579833744 491706266 /nfs/dbraw/zinc/70/62/66/491706266.db2.gz GJGMKAFZQNVJIK-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000579868487 491707307 /nfs/dbraw/zinc/70/73/07/491707307.db2.gz RMZFLYWOIHGCFO-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP COCCOC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000579948227 491710527 /nfs/dbraw/zinc/71/05/27/491710527.db2.gz VTBMHUPBIWFDOV-ZACQAIPSSA-N 2 2 360.495 0.258 20 0 FCADLP COC[C@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCC[NH2+]1 ZINC000579957539 491711000 /nfs/dbraw/zinc/71/10/00/491711000.db2.gz CVFVZXITPHVLCC-AZUAARDMSA-N 3 2 371.485 0.686 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000585718581 491723715 /nfs/dbraw/zinc/72/37/15/491723715.db2.gz MROKIJDQNLBSKV-QGZVFWFLSA-N 2 2 367.490 0.585 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000585718581 491723716 /nfs/dbraw/zinc/72/37/16/491723716.db2.gz MROKIJDQNLBSKV-QGZVFWFLSA-N 2 2 367.490 0.585 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000580435338 491731207 /nfs/dbraw/zinc/73/12/07/491731207.db2.gz UXGXWSIPFSWBFE-LLVKDONJSA-N 2 2 367.924 0.725 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000580435338 491731208 /nfs/dbraw/zinc/73/12/08/491731208.db2.gz UXGXWSIPFSWBFE-LLVKDONJSA-N 2 2 367.924 0.725 20 0 FCADLP CN(C[C@@H]1COCCO1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660575579 493362632 /nfs/dbraw/zinc/36/26/32/493362632.db2.gz WIADEEREWSJKHX-QGZVFWFLSA-N 2 2 354.495 0.602 20 0 FCADLP CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798991 493363050 /nfs/dbraw/zinc/36/30/50/493363050.db2.gz ZVTUQLPNDZALHV-PKOBYXMFSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798991 493363052 /nfs/dbraw/zinc/36/30/52/493363052.db2.gz ZVTUQLPNDZALHV-PKOBYXMFSA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C[C@@H]1O ZINC000580665991 491740897 /nfs/dbraw/zinc/74/08/97/491740897.db2.gz VWNUMFMDBYXSCA-IRXDYDNUSA-N 2 2 371.441 0.659 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)CCC2 ZINC000580796819 491746280 /nfs/dbraw/zinc/74/62/80/491746280.db2.gz FJFNCMFAMMXTMJ-MRXNPFEDSA-N 2 2 361.490 0.985 20 0 FCADLP COC(=O)C(C)(C)CS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000588884294 491750983 /nfs/dbraw/zinc/75/09/83/491750983.db2.gz VZMDHIHLUULLSZ-UHFFFAOYSA-N 2 2 363.524 0.473 20 0 FCADLP COC(=O)C(C)(C)CS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000588884294 491750984 /nfs/dbraw/zinc/75/09/84/491750984.db2.gz VZMDHIHLUULLSZ-UHFFFAOYSA-N 2 2 363.524 0.473 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000580955965 491753367 /nfs/dbraw/zinc/75/33/67/491753367.db2.gz STETUHXWGCJXHK-MRXNPFEDSA-N 2 2 355.442 0.990 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000581010683 491755373 /nfs/dbraw/zinc/75/53/73/491755373.db2.gz VWJRMAKWFNEZDS-CABCVRRESA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000581010683 491755374 /nfs/dbraw/zinc/75/53/74/491755374.db2.gz VWJRMAKWFNEZDS-CABCVRRESA-N 2 2 350.850 0.794 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000581068585 491757829 /nfs/dbraw/zinc/75/78/29/491757829.db2.gz CRVLTQCIKKYHGD-KRWDZBQOSA-N 2 2 366.506 0.206 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000581068586 491757874 /nfs/dbraw/zinc/75/78/74/491757874.db2.gz CRVLTQCIKKYHGD-QGZVFWFLSA-N 2 2 366.506 0.206 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000589254767 491759413 /nfs/dbraw/zinc/75/94/13/491759413.db2.gz NHNNTAXWZNNEOZ-AEFFLSMTSA-N 2 2 368.522 0.401 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000589254767 491759415 /nfs/dbraw/zinc/75/94/15/491759415.db2.gz NHNNTAXWZNNEOZ-AEFFLSMTSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1CC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000581150304 491761270 /nfs/dbraw/zinc/76/12/70/491761270.db2.gz STTMZFGRSFDVEX-HUUCEWRRSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1CC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000581150304 491761272 /nfs/dbraw/zinc/76/12/72/491761272.db2.gz STTMZFGRSFDVEX-HUUCEWRRSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000581442379 491773448 /nfs/dbraw/zinc/77/34/48/491773448.db2.gz CASBNHXOJBNMKD-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000581442379 491773449 /nfs/dbraw/zinc/77/34/49/491773449.db2.gz CASBNHXOJBNMKD-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000590634500 491781934 /nfs/dbraw/zinc/78/19/34/491781934.db2.gz MNZFRTHAECBAPV-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000590634500 491781935 /nfs/dbraw/zinc/78/19/35/491781935.db2.gz MNZFRTHAECBAPV-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000590634500 491781937 /nfs/dbraw/zinc/78/19/37/491781937.db2.gz MNZFRTHAECBAPV-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000590634500 491781939 /nfs/dbraw/zinc/78/19/39/491781939.db2.gz MNZFRTHAECBAPV-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]c1C ZINC000590645376 491782090 /nfs/dbraw/zinc/78/20/90/491782090.db2.gz VWGLWODLABWVOR-INIZCTEOSA-N 2 2 364.490 0.996 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH+]c12 ZINC000590740092 491784983 /nfs/dbraw/zinc/78/49/83/491784983.db2.gz FFHIIXAAMVVVAU-UHFFFAOYSA-N 2 2 369.469 0.952 20 0 FCADLP O=C(CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc[nH+]2)CC1 ZINC000582061627 491796176 /nfs/dbraw/zinc/79/61/76/491796176.db2.gz GUMJRVBGWHTQAA-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+](C)C1 ZINC000591224738 491799260 /nfs/dbraw/zinc/79/92/60/491799260.db2.gz FKSQHBISPKDKSS-WBVHZDCISA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+](C)C1 ZINC000591224738 491799261 /nfs/dbraw/zinc/79/92/61/491799261.db2.gz FKSQHBISPKDKSS-WBVHZDCISA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224738 491799262 /nfs/dbraw/zinc/79/92/62/491799262.db2.gz FKSQHBISPKDKSS-WBVHZDCISA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224738 491799263 /nfs/dbraw/zinc/79/92/63/491799263.db2.gz FKSQHBISPKDKSS-WBVHZDCISA-N 2 2 360.458 0.609 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582181778 491801458 /nfs/dbraw/zinc/80/14/58/491801458.db2.gz OTLBIENEUMRITC-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582181777 491801469 /nfs/dbraw/zinc/80/14/69/491801469.db2.gz OTLBIENEUMRITC-BMFZPTHFSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000591600742 491810469 /nfs/dbraw/zinc/81/04/69/491810469.db2.gz MQYVZVUMNQIVFC-FJIDUMEYSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000591600742 491810471 /nfs/dbraw/zinc/81/04/71/491810471.db2.gz MQYVZVUMNQIVFC-FJIDUMEYSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000591600742 491810472 /nfs/dbraw/zinc/81/04/72/491810472.db2.gz MQYVZVUMNQIVFC-FJIDUMEYSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000591600742 491810474 /nfs/dbraw/zinc/81/04/74/491810474.db2.gz MQYVZVUMNQIVFC-FJIDUMEYSA-N 2 2 368.522 0.990 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582431816 491812304 /nfs/dbraw/zinc/81/23/04/491812304.db2.gz SEWYERNNJRUEES-BPLDGKMQSA-N 2 2 362.499 0.828 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582431816 491812306 /nfs/dbraw/zinc/81/23/06/491812306.db2.gz SEWYERNNJRUEES-BPLDGKMQSA-N 2 2 362.499 0.828 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000582485658 491814440 /nfs/dbraw/zinc/81/44/40/491814440.db2.gz YFBHLALGCOQGAA-OKILXGFUSA-N 2 2 350.467 0.384 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000582485658 491814441 /nfs/dbraw/zinc/81/44/41/491814441.db2.gz YFBHLALGCOQGAA-OKILXGFUSA-N 2 2 350.467 0.384 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000582620764 491820266 /nfs/dbraw/zinc/82/02/66/491820266.db2.gz QDNGKYMNZCYFGB-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000582782619 491826746 /nfs/dbraw/zinc/82/67/46/491826746.db2.gz GGKSAFDILMHBLF-QZTJIDSGSA-N 2 2 374.485 0.353 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CCN2C1=O ZINC000582916110 491832189 /nfs/dbraw/zinc/83/21/89/491832189.db2.gz RPLFXOKJGIMLTE-GJZGRUSLSA-N 2 2 354.414 0.326 20 0 FCADLP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000583098767 491838054 /nfs/dbraw/zinc/83/80/54/491838054.db2.gz YTWWYUSYSNQJGR-QGZVFWFLSA-N 2 2 355.442 0.710 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)nn1 ZINC000583138529 491838904 /nfs/dbraw/zinc/83/89/04/491838904.db2.gz WOLIAJCDZYVIEM-WCQYABFASA-N 2 2 357.409 0.328 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668503590 493366216 /nfs/dbraw/zinc/36/62/16/493366216.db2.gz LPLAJVMHRJQMDK-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000668503590 493366219 /nfs/dbraw/zinc/36/62/19/493366219.db2.gz LPLAJVMHRJQMDK-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+](C)C[C@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000583334872 491842900 /nfs/dbraw/zinc/84/29/00/491842900.db2.gz PATXDOWLPRQXKT-OAHLLOKOSA-N 2 2 367.519 0.406 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000583371055 491843431 /nfs/dbraw/zinc/84/34/31/491843431.db2.gz VEXJQTUVFPYUQH-NVXWUHKLSA-N 2 2 365.522 0.842 20 0 FCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000583371486 491843453 /nfs/dbraw/zinc/84/34/53/491843453.db2.gz PXHDDQLWZRGCHC-UONOGXRCSA-N 2 2 374.411 0.893 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNC(=O)c2ccccc2F)C[C@@H](C)O1 ZINC000583376304 491843576 /nfs/dbraw/zinc/84/35/76/491843576.db2.gz HNVJNFLRCQKKBE-RBSFLKMASA-N 2 2 353.438 0.615 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1)CCC2 ZINC000583463018 491845600 /nfs/dbraw/zinc/84/56/00/491845600.db2.gz JCQDQMGIIHAABJ-INIZCTEOSA-N 2 2 361.490 0.985 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)[NH+]1CCOCC1 ZINC000583674886 491849752 /nfs/dbraw/zinc/84/97/52/491849752.db2.gz GHMDXJKKITYDQA-ZACQAIPSSA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)[NH+]1CCOCC1 ZINC000583674886 491849753 /nfs/dbraw/zinc/84/97/53/491849753.db2.gz GHMDXJKKITYDQA-ZACQAIPSSA-N 2 2 353.507 0.839 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H](C)[NH2+]1 ZINC000583742861 491851021 /nfs/dbraw/zinc/85/10/21/491851021.db2.gz MJCZVJDXHVLRBW-IYBDPMFKSA-N 2 2 366.506 0.347 20 0 FCADLP CN(C)C(=O)CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583789203 491852013 /nfs/dbraw/zinc/85/20/13/491852013.db2.gz KQASHWWLGQUWNQ-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802431 491852176 /nfs/dbraw/zinc/85/21/76/491852176.db2.gz IIOFXCAKYTUDAJ-LTIDMASMSA-N 2 2 364.490 0.099 20 0 FCADLP C[C@@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000583956540 491855430 /nfs/dbraw/zinc/85/54/30/491855430.db2.gz MBNZEPUCMFCWDE-HNNXBMFYSA-N 2 2 372.560 0.789 20 0 FCADLP CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000583983524 491855946 /nfs/dbraw/zinc/85/59/46/491855946.db2.gz CTLRVXSOYMQXDR-RHSMWYFYSA-N 2 2 361.490 0.999 20 0 FCADLP CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000583983524 491855947 /nfs/dbraw/zinc/85/59/47/491855947.db2.gz CTLRVXSOYMQXDR-RHSMWYFYSA-N 2 2 361.490 0.999 20 0 FCADLP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000583997283 491856227 /nfs/dbraw/zinc/85/62/27/491856227.db2.gz BMLCLFOXXRIKJX-KRWDZBQOSA-N 2 2 374.485 0.111 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584172842 491859960 /nfs/dbraw/zinc/85/99/60/491859960.db2.gz HVNAACVKJOJBAT-CABCVRRESA-N 2 2 362.474 0.581 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC)c1 ZINC000584239440 491861305 /nfs/dbraw/zinc/86/13/05/491861305.db2.gz ALUDDOWBOQIULA-ZFWWWQNUSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC)c1 ZINC000584239440 491861306 /nfs/dbraw/zinc/86/13/06/491861306.db2.gz ALUDDOWBOQIULA-ZFWWWQNUSA-N 2 2 359.492 0.184 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584341284 491863290 /nfs/dbraw/zinc/86/32/90/491863290.db2.gz ZVLUDVRDEWHYQW-GOSISDBHSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584341284 491863291 /nfs/dbraw/zinc/86/32/91/491863291.db2.gz ZVLUDVRDEWHYQW-GOSISDBHSA-N 2 2 374.485 0.119 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875392 491869484 /nfs/dbraw/zinc/86/94/84/491869484.db2.gz DMZISZQZASEAEW-WMZOPIPTSA-N 2 2 374.485 0.549 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875392 491869486 /nfs/dbraw/zinc/86/94/86/491869486.db2.gz DMZISZQZASEAEW-WMZOPIPTSA-N 2 2 374.485 0.549 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876006 491870033 /nfs/dbraw/zinc/87/00/33/491870033.db2.gz YODIPRCITKPXPD-IAGOWNOFSA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876006 491870035 /nfs/dbraw/zinc/87/00/35/491870035.db2.gz YODIPRCITKPXPD-IAGOWNOFSA-N 2 2 360.458 0.083 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)[nH+]c12 ZINC000595269627 491909869 /nfs/dbraw/zinc/90/98/69/491909869.db2.gz VSDHKMHVYMCGON-GJZGRUSLSA-N 2 2 356.430 0.139 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445232 491917953 /nfs/dbraw/zinc/91/79/53/491917953.db2.gz WKWJWCBZEJZKPA-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445232 491917956 /nfs/dbraw/zinc/91/79/56/491917956.db2.gz WKWJWCBZEJZKPA-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472933 491925016 /nfs/dbraw/zinc/92/50/16/491925016.db2.gz AJSULZAVEYCUBU-HIFRSBDPSA-N 2 2 350.463 0.151 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472933 491925017 /nfs/dbraw/zinc/92/50/17/491925017.db2.gz AJSULZAVEYCUBU-HIFRSBDPSA-N 2 2 350.463 0.151 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469645 491934114 /nfs/dbraw/zinc/93/41/14/491934114.db2.gz IGVUMIRZTYUZHC-MRXNPFEDSA-N 2 2 355.479 0.633 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469645 491934116 /nfs/dbraw/zinc/93/41/16/491934116.db2.gz IGVUMIRZTYUZHC-MRXNPFEDSA-N 2 2 355.479 0.633 20 0 FCADLP C[C@]1(NC(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]C1 ZINC000612881292 491956638 /nfs/dbraw/zinc/95/66/38/491956638.db2.gz PMTVNCIEEAHIFP-IBGZPJMESA-N 2 2 365.522 0.762 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000602201534 491967874 /nfs/dbraw/zinc/96/78/74/491967874.db2.gz QSCYJVGSNIMTHK-QGZVFWFLSA-N 3 2 352.523 0.774 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000602201534 491967876 /nfs/dbraw/zinc/96/78/76/491967876.db2.gz QSCYJVGSNIMTHK-QGZVFWFLSA-N 3 2 352.523 0.774 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccnc3N3CCOCC3)C2)CC1 ZINC000602203430 491967951 /nfs/dbraw/zinc/96/79/51/491967951.db2.gz NZARPBURXHEEJE-MRXNPFEDSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccnc3N3CCOCC3)C2)CC1 ZINC000602203430 491967952 /nfs/dbraw/zinc/96/79/52/491967952.db2.gz NZARPBURXHEEJE-MRXNPFEDSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000613416127 491980831 /nfs/dbraw/zinc/98/08/31/491980831.db2.gz VLFQDFFODZVXJA-OAHLLOKOSA-N 2 2 355.866 0.786 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602485948 491989243 /nfs/dbraw/zinc/98/92/43/491989243.db2.gz RVBHOOJKKCELCN-AWEZNQCLSA-N 2 2 372.560 0.996 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602485948 491989244 /nfs/dbraw/zinc/98/92/44/491989244.db2.gz RVBHOOJKKCELCN-AWEZNQCLSA-N 2 2 372.560 0.996 20 0 FCADLP COC(=O)c1oc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1C ZINC000597058421 492011949 /nfs/dbraw/zinc/01/19/49/492011949.db2.gz LFKBUAJGGBCNBV-OAHLLOKOSA-N 2 2 351.447 0.871 20 0 FCADLP COC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000603253892 492021274 /nfs/dbraw/zinc/02/12/74/492021274.db2.gz GMVVQVXMKIWPLU-KRWDZBQOSA-N 2 2 359.430 0.201 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000597215811 492022879 /nfs/dbraw/zinc/02/28/79/492022879.db2.gz BXFWFOSJVYLNGB-UHFFFAOYSA-N 2 2 364.494 0.905 20 0 FCADLP CCSC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000597268018 492026091 /nfs/dbraw/zinc/02/60/91/492026091.db2.gz WYIIIGQSTKQBGW-AWEZNQCLSA-N 2 2 368.547 0.673 20 0 FCADLP CCSC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000597268018 492026089 /nfs/dbraw/zinc/02/60/89/492026089.db2.gz WYIIIGQSTKQBGW-AWEZNQCLSA-N 2 2 368.547 0.673 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000603773433 492041701 /nfs/dbraw/zinc/04/17/01/492041701.db2.gz ULBJCSARDZGOTC-UHFFFAOYSA-N 2 2 353.386 0.917 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604194288 492053833 /nfs/dbraw/zinc/05/38/33/492053833.db2.gz FSOYBPMISDDBDC-SJORKVTESA-N 3 2 366.554 0.090 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604194288 492053835 /nfs/dbraw/zinc/05/38/35/492053835.db2.gz FSOYBPMISDDBDC-SJORKVTESA-N 3 2 366.554 0.090 20 0 FCADLP CC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604193965 492053895 /nfs/dbraw/zinc/05/38/95/492053895.db2.gz MKRAKFYXXKLTAB-QGZVFWFLSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604193965 492053896 /nfs/dbraw/zinc/05/38/96/492053896.db2.gz MKRAKFYXXKLTAB-QGZVFWFLSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604194186 492053932 /nfs/dbraw/zinc/05/39/32/492053932.db2.gz FSOYBPMISDDBDC-DLBZAZTESA-N 3 2 366.554 0.090 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604194186 492053934 /nfs/dbraw/zinc/05/39/34/492053934.db2.gz FSOYBPMISDDBDC-DLBZAZTESA-N 3 2 366.554 0.090 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@H]1CCOC1 ZINC000598312830 492093914 /nfs/dbraw/zinc/09/39/14/492093914.db2.gz PENNKSXCRMTIGZ-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@H]1CCOC1 ZINC000598312830 492093916 /nfs/dbraw/zinc/09/39/16/492093916.db2.gz PENNKSXCRMTIGZ-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000605429602 492095293 /nfs/dbraw/zinc/09/52/93/492095293.db2.gz ZWLROBSTVJGUQF-UHFFFAOYSA-N 2 2 361.450 0.932 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)(N2CCOCC2)CC1 ZINC000616257641 492123577 /nfs/dbraw/zinc/12/35/77/492123577.db2.gz SMYWSQPSKKBBSX-INIZCTEOSA-N 2 2 361.490 0.358 20 0 FCADLP C[NH+](C)[C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000606705328 492127667 /nfs/dbraw/zinc/12/76/67/492127667.db2.gz DRSALLNAKIANDM-MRXNPFEDSA-N 2 2 351.495 0.276 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608312989 492172226 /nfs/dbraw/zinc/17/22/26/492172226.db2.gz OYWOPMVPLVVMQG-MRXNPFEDSA-N 2 2 362.478 0.917 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691402 492187205 /nfs/dbraw/zinc/18/72/05/492187205.db2.gz QGCXHFCHBALDNS-CABCVRRESA-N 2 2 362.478 0.886 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691402 492187209 /nfs/dbraw/zinc/18/72/09/492187209.db2.gz QGCXHFCHBALDNS-CABCVRRESA-N 2 2 362.478 0.886 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000608693571 492187836 /nfs/dbraw/zinc/18/78/36/492187836.db2.gz SZJDOZKPTJQVLV-CABCVRRESA-N 2 2 365.522 0.711 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@@H](O)[C@@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000608718851 492189268 /nfs/dbraw/zinc/18/92/68/492189268.db2.gz UFPPHQUDVYNQAP-IAGOWNOFSA-N 2 2 368.522 0.633 20 0 FCADLP CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571775 492214078 /nfs/dbraw/zinc/21/40/78/492214078.db2.gz JCDNUWOUTLLUKA-ZBFHGGJFSA-N 2 2 370.563 0.919 20 0 FCADLP CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571775 492214081 /nfs/dbraw/zinc/21/40/81/492214081.db2.gz JCDNUWOUTLLUKA-ZBFHGGJFSA-N 2 2 370.563 0.919 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488185 492274185 /nfs/dbraw/zinc/27/41/85/492274185.db2.gz GFDLPLGOSMANGF-RDJZCZTQSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488185 492274187 /nfs/dbraw/zinc/27/41/87/492274187.db2.gz GFDLPLGOSMANGF-RDJZCZTQSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719012 492298929 /nfs/dbraw/zinc/29/89/29/492298929.db2.gz IWBKMKOXELCDNM-JKSUJKDBSA-N 2 2 364.494 0.478 20 0 FCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719012 492298930 /nfs/dbraw/zinc/29/89/30/492298930.db2.gz IWBKMKOXELCDNM-JKSUJKDBSA-N 2 2 364.494 0.478 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000654506265 492313698 /nfs/dbraw/zinc/31/36/98/492313698.db2.gz RAZOTHQFZQBGBX-LJQANCHMSA-N 2 2 358.486 0.789 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654506265 492313704 /nfs/dbraw/zinc/31/37/04/492313704.db2.gz RAZOTHQFZQBGBX-LJQANCHMSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000627480218 492316044 /nfs/dbraw/zinc/31/60/44/492316044.db2.gz MQEIZLIIWCUSPA-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000627480218 492316046 /nfs/dbraw/zinc/31/60/46/492316046.db2.gz MQEIZLIIWCUSPA-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP CC(C)NC(=O)CN(C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194596 492324588 /nfs/dbraw/zinc/32/45/88/492324588.db2.gz KNSMSOYFQVCLIT-UHFFFAOYSA-N 2 2 362.478 0.228 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)Nc1cc(N3CC[NH+](C)CC3)cc[nH+]1)N(C)C2 ZINC000634194421 492324798 /nfs/dbraw/zinc/32/47/98/492324798.db2.gz MLECZDRPIHIUEO-HNNXBMFYSA-N 2 2 370.461 0.186 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000634194459 492325072 /nfs/dbraw/zinc/32/50/72/492325072.db2.gz SBVMTECCSGKBRB-ZDUSSCGKSA-N 2 2 352.460 0.597 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1=O ZINC000634196418 492325854 /nfs/dbraw/zinc/32/58/54/492325854.db2.gz VTXXCMKKMZYPRX-OAHLLOKOSA-N 3 2 374.489 0.182 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC3(CS(C)(=O)=O)CC3)c2)CC1 ZINC000634196426 492325965 /nfs/dbraw/zinc/32/59/65/492325965.db2.gz WFBJOWNGVQAGQS-UHFFFAOYSA-N 2 2 366.487 0.987 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCN3CCCS3(=O)=O)c2)CC1 ZINC000634195607 492326466 /nfs/dbraw/zinc/32/64/66/492326466.db2.gz YGYMSQQAAAYEBA-UHFFFAOYSA-N 2 2 367.475 0.198 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642105147 492334999 /nfs/dbraw/zinc/33/49/99/492334999.db2.gz IJGFWLBJZBXAMP-GOEBONIOSA-N 2 2 353.426 0.699 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634298753 492335016 /nfs/dbraw/zinc/33/50/16/492335016.db2.gz YSMWVVFUCOKAIL-CYBMUJFWSA-N 2 2 358.450 0.337 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634298643 492335144 /nfs/dbraw/zinc/33/51/44/492335144.db2.gz WLPUFRUYFUXMNI-IRXDYDNUSA-N 2 2 365.522 0.857 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654738299 492346018 /nfs/dbraw/zinc/34/60/18/492346018.db2.gz YKIJEASELFOWCG-ROUUACIJSA-N 2 2 368.522 0.994 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654738299 492346021 /nfs/dbraw/zinc/34/60/21/492346021.db2.gz YKIJEASELFOWCG-ROUUACIJSA-N 2 2 368.522 0.994 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642329984 492350944 /nfs/dbraw/zinc/35/09/44/492350944.db2.gz AKKDKZDVMDVPJF-AWEZNQCLSA-N 2 2 359.405 0.886 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000642337426 492351822 /nfs/dbraw/zinc/35/18/22/492351822.db2.gz ACPKTHBRXJTXNB-VQHPVUNQSA-N 2 2 366.506 0.332 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000642337424 492352249 /nfs/dbraw/zinc/35/22/49/492352249.db2.gz ACPKTHBRXJTXNB-QBPKDAKJSA-N 2 2 366.506 0.332 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000647765354 492357279 /nfs/dbraw/zinc/35/72/79/492357279.db2.gz MFXXQYWFMYCDMG-SJORKVTESA-N 2 2 371.547 0.621 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])cc1 ZINC000647847615 492370771 /nfs/dbraw/zinc/37/07/71/492370771.db2.gz YLKXPJFHMPMAFA-CYBMUJFWSA-N 2 2 356.492 0.981 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000647847615 492370774 /nfs/dbraw/zinc/37/07/74/492370774.db2.gz YLKXPJFHMPMAFA-CYBMUJFWSA-N 2 2 356.492 0.981 20 0 FCADLP O=C1CC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCN1 ZINC000634960817 492374300 /nfs/dbraw/zinc/37/43/00/492374300.db2.gz DBTJWVRQENRMNO-HZPDHXFCSA-N 2 2 374.489 0.540 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000647924849 492384005 /nfs/dbraw/zinc/38/40/05/492384005.db2.gz QDPVOEGRCPWLCD-CYBMUJFWSA-N 2 2 350.438 0.932 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000642754727 492385993 /nfs/dbraw/zinc/38/59/93/492385993.db2.gz AYNWPFPJIZTCDZ-UHFFFAOYSA-N 2 2 373.501 0.265 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000647955284 492387094 /nfs/dbraw/zinc/38/70/94/492387094.db2.gz LLILAVZPJIVRJM-IBGZPJMESA-N 2 2 362.518 0.622 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000647955284 492387095 /nfs/dbraw/zinc/38/70/95/492387095.db2.gz LLILAVZPJIVRJM-IBGZPJMESA-N 2 2 362.518 0.622 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000627794570 492388988 /nfs/dbraw/zinc/38/89/88/492388988.db2.gz HKPRFNAOTPJALW-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000627794570 492388990 /nfs/dbraw/zinc/38/89/90/492388990.db2.gz HKPRFNAOTPJALW-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)c2cncc(C(=O)NC3C[NH+](C(C)C)C3)c2)C1 ZINC000655051469 492396393 /nfs/dbraw/zinc/39/63/93/492396393.db2.gz UBKCQCRNLWQLPG-UHFFFAOYSA-N 2 2 359.474 0.726 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000642890258 492397595 /nfs/dbraw/zinc/39/75/95/492397595.db2.gz SUESGLGDOLLXRV-OAHLLOKOSA-N 2 2 352.479 0.087 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](c2ccccc2)C1 ZINC000642900558 492398805 /nfs/dbraw/zinc/39/88/05/492398805.db2.gz AKWUVSXZJOAQCT-WFFDWFOESA-N 2 2 356.470 0.901 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](c2ccccc2)C1 ZINC000642900558 492398809 /nfs/dbraw/zinc/39/88/09/492398809.db2.gz AKWUVSXZJOAQCT-WFFDWFOESA-N 2 2 356.470 0.901 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621646491 492400480 /nfs/dbraw/zinc/40/04/80/492400480.db2.gz XDIYZNMTTHVXTH-IRXDYDNUSA-N 2 2 368.522 0.452 20 0 FCADLP C[C@@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000655081085 492400810 /nfs/dbraw/zinc/40/08/10/492400810.db2.gz BWDKFJGUKWRYNZ-MNOVXSKESA-N 2 2 363.384 0.639 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621651855 492402056 /nfs/dbraw/zinc/40/20/56/492402056.db2.gz RJVQQHXGCADNPR-IRXDYDNUSA-N 2 2 350.507 0.921 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000642944120 492405512 /nfs/dbraw/zinc/40/55/12/492405512.db2.gz QMATYESGXGCFKF-DLBZAZTESA-N 2 2 366.506 0.333 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000648150338 492408986 /nfs/dbraw/zinc/40/89/86/492408986.db2.gz YUZWESUOCSCGAG-RDTXWAMCSA-N 2 2 354.495 0.189 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000648150338 492408987 /nfs/dbraw/zinc/40/89/87/492408987.db2.gz YUZWESUOCSCGAG-RDTXWAMCSA-N 2 2 354.495 0.189 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000621838996 492422382 /nfs/dbraw/zinc/42/23/82/492422382.db2.gz MEVPEYPPVAYUAU-KBXCAEBGSA-N 2 2 362.499 0.562 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000621838996 492422385 /nfs/dbraw/zinc/42/23/85/492422385.db2.gz MEVPEYPPVAYUAU-KBXCAEBGSA-N 2 2 362.499 0.562 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(N3CCCC3)[nH+]c1)C2 ZINC000621841396 492423628 /nfs/dbraw/zinc/42/36/28/492423628.db2.gz VBJASYYLZJSLPC-DNVCBOLYSA-N 2 2 357.458 0.638 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)CC1 ZINC000643214929 492432696 /nfs/dbraw/zinc/43/26/96/492432696.db2.gz TWEWWIFQGRSPMC-UHFFFAOYSA-N 2 2 362.478 0.469 20 0 FCADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc(C)[nH+]1 ZINC000643233445 492433472 /nfs/dbraw/zinc/43/34/72/492433472.db2.gz ARCDTFSKWLDDPV-GOSISDBHSA-N 2 2 361.490 0.904 20 0 FCADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(C)[nH+]1 ZINC000643233445 492433478 /nfs/dbraw/zinc/43/34/78/492433478.db2.gz ARCDTFSKWLDDPV-GOSISDBHSA-N 2 2 361.490 0.904 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@]3(C)CCC(=O)N3)CC2)CC1 ZINC000643383797 492443824 /nfs/dbraw/zinc/44/38/24/492443824.db2.gz PQOICESHWAPNPA-IBGZPJMESA-N 2 2 365.522 0.857 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@]3(C)CCC(=O)N3)CC2)CC1 ZINC000643383797 492443826 /nfs/dbraw/zinc/44/38/26/492443826.db2.gz PQOICESHWAPNPA-IBGZPJMESA-N 2 2 365.522 0.857 20 0 FCADLP CCN1CC[C@H](NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000643383343 492444227 /nfs/dbraw/zinc/44/42/27/492444227.db2.gz SONXQZBMMJLYDR-KRWDZBQOSA-N 2 2 365.522 0.809 20 0 FCADLP CCN1CC[C@H](NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000643383343 492444231 /nfs/dbraw/zinc/44/42/31/492444231.db2.gz SONXQZBMMJLYDR-KRWDZBQOSA-N 2 2 365.522 0.809 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000643397551 492447948 /nfs/dbraw/zinc/44/79/48/492447948.db2.gz ACCAKNOYNUZRDJ-RDJZCZTQSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000643397551 492447952 /nfs/dbraw/zinc/44/79/52/492447952.db2.gz ACCAKNOYNUZRDJ-RDJZCZTQSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CCO1 ZINC000643478417 492474144 /nfs/dbraw/zinc/47/41/44/492474144.db2.gz STJONNNSXZVZEK-USXIJHARSA-N 2 2 360.458 0.076 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCO1 ZINC000643478417 492474147 /nfs/dbraw/zinc/47/41/47/492474147.db2.gz STJONNNSXZVZEK-USXIJHARSA-N 2 2 360.458 0.076 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000643478924 492475156 /nfs/dbraw/zinc/47/51/56/492475156.db2.gz QHPUSAUOIQUQDF-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000643479752 492476595 /nfs/dbraw/zinc/47/65/95/492476595.db2.gz VJTMXLQYOGBHAC-CVEARBPZSA-N 2 2 364.515 0.978 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655696986 492476921 /nfs/dbraw/zinc/47/69/21/492476921.db2.gz GNJMJQBMVKOVAJ-INIZCTEOSA-N 2 2 353.488 0.938 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000643481064 492477510 /nfs/dbraw/zinc/47/75/10/492477510.db2.gz KXXJIJSEBTUXRI-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655702400 492477668 /nfs/dbraw/zinc/47/76/68/492477668.db2.gz VUYHAYHYYRTXAH-INIZCTEOSA-N 2 2 353.488 0.808 20 0 FCADLP O=C1[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCN1C1CCOCC1 ZINC000655731894 492478323 /nfs/dbraw/zinc/47/83/23/492478323.db2.gz VITPMTWBXBEQDD-MSOLQXFVSA-N 2 2 351.491 0.999 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655714653 492478560 /nfs/dbraw/zinc/47/85/60/492478560.db2.gz BRDNSZDDGWMRFR-RBUKOAKNSA-N 3 2 352.523 0.236 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H]3CC[NH2+][C@H]3C1)C2 ZINC000643513765 492486550 /nfs/dbraw/zinc/48/65/50/492486550.db2.gz LVSMFQKGBFJZOL-KBPBESRZSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1cn2ccc(C(=O)N(CC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)cc2[nH+]1 ZINC000635655230 492486804 /nfs/dbraw/zinc/48/68/04/492486804.db2.gz LHJNKCVEAVTPIA-OAHLLOKOSA-N 2 2 364.471 0.834 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635657760 492487197 /nfs/dbraw/zinc/48/71/97/492487197.db2.gz DFXAFRSBMROUJO-HNNXBMFYSA-N 2 2 361.552 0.932 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635657760 492487199 /nfs/dbraw/zinc/48/71/99/492487199.db2.gz DFXAFRSBMROUJO-HNNXBMFYSA-N 2 2 361.552 0.932 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000643514580 492487651 /nfs/dbraw/zinc/48/76/51/492487651.db2.gz VKJSNMHZGQTHQD-XYJFISCASA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000643514580 492487653 /nfs/dbraw/zinc/48/76/53/492487653.db2.gz VKJSNMHZGQTHQD-XYJFISCASA-N 2 2 374.485 0.294 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)cc[nH+]1 ZINC000643532340 492492418 /nfs/dbraw/zinc/49/24/18/492492418.db2.gz DPEDELDFBNKHBV-XHSDSOJGSA-N 2 2 372.473 0.019 20 0 FCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000643591093 492501697 /nfs/dbraw/zinc/50/16/97/492501697.db2.gz HFOYZNIADLTQHH-OAHLLOKOSA-N 2 2 359.474 0.875 20 0 FCADLP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000643591092 492501959 /nfs/dbraw/zinc/50/19/59/492501959.db2.gz HFOYZNIADLTQHH-HNNXBMFYSA-N 2 2 359.474 0.875 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000643592554 492503045 /nfs/dbraw/zinc/50/30/45/492503045.db2.gz AAIJNMDVVZZSPL-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000628575987 492519421 /nfs/dbraw/zinc/51/94/21/492519421.db2.gz PONSMLRRBLFBAB-LPHOPBHVSA-N 2 2 351.491 0.593 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000628575987 492519424 /nfs/dbraw/zinc/51/94/24/492519424.db2.gz PONSMLRRBLFBAB-LPHOPBHVSA-N 2 2 351.491 0.593 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649281587 492520640 /nfs/dbraw/zinc/52/06/40/492520640.db2.gz VJKKAGXWUCKIGB-IAGOWNOFSA-N 2 2 370.457 0.616 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000649285689 492522281 /nfs/dbraw/zinc/52/22/81/492522281.db2.gz OAAPTDAMJRWVJJ-UHFFFAOYSA-N 2 2 360.458 0.781 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)CCC(C)(C)[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000649301122 492526001 /nfs/dbraw/zinc/52/60/01/492526001.db2.gz HAZUOAOPERQQJI-GDBMZVCRSA-N 2 2 356.511 0.483 20 0 FCADLP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000649317815 492531168 /nfs/dbraw/zinc/53/11/68/492531168.db2.gz VPUZMHFWXWHFCW-HNNXBMFYSA-N 2 2 356.430 0.476 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334016 492537396 /nfs/dbraw/zinc/53/73/96/492537396.db2.gz BUJJQWRNZYLUPU-INIZCTEOSA-N 3 2 360.506 0.247 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334016 492537399 /nfs/dbraw/zinc/53/73/99/492537399.db2.gz BUJJQWRNZYLUPU-INIZCTEOSA-N 3 2 360.506 0.247 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000649335778 492538109 /nfs/dbraw/zinc/53/81/09/492538109.db2.gz YNORWSYSUSDRME-CRAIPNDOSA-N 2 2 362.474 0.218 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335778 492538112 /nfs/dbraw/zinc/53/81/12/492538112.db2.gz YNORWSYSUSDRME-CRAIPNDOSA-N 2 2 362.474 0.218 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346735 492541832 /nfs/dbraw/zinc/54/18/32/492541832.db2.gz DYLCLUVAKWXVPV-ZIAGYGMSSA-N 2 2 358.433 0.386 20 0 FCADLP Cc1noc(CN2CCCC[C@@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2=O)n1 ZINC000643734927 492547763 /nfs/dbraw/zinc/54/77/63/492547763.db2.gz REDWUVLSXLOIIV-CQSZACIVSA-N 2 2 361.450 0.848 20 0 FCADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420429 492553127 /nfs/dbraw/zinc/55/31/27/492553127.db2.gz NDZSYZYPZCYNHK-CABCVRRESA-N 2 2 358.450 0.221 20 0 FCADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420429 492553132 /nfs/dbraw/zinc/55/31/32/492553132.db2.gz NDZSYZYPZCYNHK-CABCVRRESA-N 2 2 358.450 0.221 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000656284784 492569220 /nfs/dbraw/zinc/56/92/20/492569220.db2.gz YZHQIPKLRRUINI-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CCC(CC)[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000636316878 492581442 /nfs/dbraw/zinc/58/14/42/492581442.db2.gz ADPUGSHPKNQKPT-SFHVURJKSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636317718 492582726 /nfs/dbraw/zinc/58/27/26/492582726.db2.gz JZPOEZWPBKBGQW-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636317718 492582728 /nfs/dbraw/zinc/58/27/28/492582728.db2.gz JZPOEZWPBKBGQW-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCCn3cc[nH+]c3)C2)cc1 ZINC000636467106 492594242 /nfs/dbraw/zinc/59/42/42/492594242.db2.gz AGCFYVLJVUEMMA-QGZVFWFLSA-N 2 2 355.442 0.698 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCCn3cc[nH+]c3)C2)cc1 ZINC000636467106 492594245 /nfs/dbraw/zinc/59/42/45/492594245.db2.gz AGCFYVLJVUEMMA-QGZVFWFLSA-N 2 2 355.442 0.698 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467331 492594360 /nfs/dbraw/zinc/59/43/60/492594360.db2.gz HBKGLJRBXVEXJH-WMZOPIPTSA-N 2 2 369.469 0.884 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467331 492594362 /nfs/dbraw/zinc/59/43/62/492594362.db2.gz HBKGLJRBXVEXJH-WMZOPIPTSA-N 2 2 369.469 0.884 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000656333805 492598446 /nfs/dbraw/zinc/59/84/46/492598446.db2.gz LGWWQQGXHWIROY-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000656333805 492598448 /nfs/dbraw/zinc/59/84/48/492598448.db2.gz LGWWQQGXHWIROY-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000643884425 492599705 /nfs/dbraw/zinc/59/97/05/492599705.db2.gz WZZAQJZHJKWJBS-IIYDPXPESA-N 2 2 353.488 0.682 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497903 492600976 /nfs/dbraw/zinc/60/09/76/492600976.db2.gz AXVDTPCSVVMUTP-ZWKOTPCHSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497903 492600980 /nfs/dbraw/zinc/60/09/80/492600980.db2.gz AXVDTPCSVVMUTP-ZWKOTPCHSA-N 2 2 362.474 0.426 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000636518629 492607404 /nfs/dbraw/zinc/60/74/04/492607404.db2.gz XSUKSIZJFXUJED-UHFFFAOYSA-N 2 2 359.430 0.625 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000656367370 492615399 /nfs/dbraw/zinc/61/53/99/492615399.db2.gz WKVWYPQLLZMZPN-KRWDZBQOSA-N 2 2 361.446 0.559 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636580350 492627567 /nfs/dbraw/zinc/62/75/67/492627567.db2.gz CYZMZNQRZIXGMU-BEFAXECRSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636580350 492627570 /nfs/dbraw/zinc/62/75/70/492627570.db2.gz CYZMZNQRZIXGMU-BEFAXECRSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636580350 492627573 /nfs/dbraw/zinc/62/75/73/492627573.db2.gz CYZMZNQRZIXGMU-BEFAXECRSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000636580350 492627576 /nfs/dbraw/zinc/62/75/76/492627576.db2.gz CYZMZNQRZIXGMU-BEFAXECRSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636580351 492627816 /nfs/dbraw/zinc/62/78/16/492627816.db2.gz CYZMZNQRZIXGMU-DNVCBOLYSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000636580351 492627819 /nfs/dbraw/zinc/62/78/19/492627819.db2.gz CYZMZNQRZIXGMU-DNVCBOLYSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636580351 492627822 /nfs/dbraw/zinc/62/78/22/492627822.db2.gz CYZMZNQRZIXGMU-DNVCBOLYSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000636580351 492627826 /nfs/dbraw/zinc/62/78/26/492627826.db2.gz CYZMZNQRZIXGMU-DNVCBOLYSA-N 2 2 366.506 0.386 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578593 492627874 /nfs/dbraw/zinc/62/78/74/492627874.db2.gz MBNSIYUSVDOQDN-SJLPKXTDSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578593 492627875 /nfs/dbraw/zinc/62/78/75/492627875.db2.gz MBNSIYUSVDOQDN-SJLPKXTDSA-N 2 2 358.490 0.973 20 0 FCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000624329833 492638809 /nfs/dbraw/zinc/63/88/09/492638809.db2.gz IKKJAKGYBBFDKP-QGZVFWFLSA-N 2 2 354.495 0.507 20 0 FCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000624329833 492638813 /nfs/dbraw/zinc/63/88/13/492638813.db2.gz IKKJAKGYBBFDKP-QGZVFWFLSA-N 2 2 354.495 0.507 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543034 492642670 /nfs/dbraw/zinc/64/26/70/492642670.db2.gz RMKQHXSJUVIKRY-LSDHHAIUSA-N 2 2 351.495 0.369 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543034 492642672 /nfs/dbraw/zinc/64/26/72/492642672.db2.gz RMKQHXSJUVIKRY-LSDHHAIUSA-N 2 2 351.495 0.369 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629562276 492645284 /nfs/dbraw/zinc/64/52/84/492645284.db2.gz AFYNWOUDCFPSEE-CHWSQXEVSA-N 2 2 350.385 0.136 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629562276 492645285 /nfs/dbraw/zinc/64/52/85/492645285.db2.gz AFYNWOUDCFPSEE-CHWSQXEVSA-N 2 2 350.385 0.136 20 0 FCADLP O=S1(=O)CCCN1c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000629573533 492650812 /nfs/dbraw/zinc/65/08/12/492650812.db2.gz JIGPUDMXTNLOMG-KRWDZBQOSA-N 2 2 353.488 0.773 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)NC[C@H]2CC[N@H+](CC)C2)[C@@H]1c1[nH+]ccn1C ZINC000624485872 492652238 /nfs/dbraw/zinc/65/22/38/492652238.db2.gz ICVZTGQXPCGPHG-FVQBIDKESA-N 2 2 363.462 0.167 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC)C2)[C@@H]1c1[nH+]ccn1C ZINC000624485872 492652240 /nfs/dbraw/zinc/65/22/40/492652240.db2.gz ICVZTGQXPCGPHG-FVQBIDKESA-N 2 2 363.462 0.167 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668682 492654697 /nfs/dbraw/zinc/65/46/97/492654697.db2.gz PLZSUIBKSAORCY-DOTOQJQBSA-N 2 2 369.469 0.921 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668682 492654700 /nfs/dbraw/zinc/65/47/00/492654700.db2.gz PLZSUIBKSAORCY-DOTOQJQBSA-N 2 2 369.469 0.921 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000629605594 492658760 /nfs/dbraw/zinc/65/87/60/492658760.db2.gz KNVSAPIWQKQCCU-YOEHRIQHSA-N 2 2 360.458 0.837 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000629605594 492658765 /nfs/dbraw/zinc/65/87/65/492658765.db2.gz KNVSAPIWQKQCCU-YOEHRIQHSA-N 2 2 360.458 0.837 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000629608216 492660015 /nfs/dbraw/zinc/66/00/15/492660015.db2.gz VTYZOQPWJZGSLF-RDJZCZTQSA-N 2 2 360.458 0.189 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000624578700 492661529 /nfs/dbraw/zinc/66/15/29/492661529.db2.gz RQIDIJWVRVSHGW-SFHVURJKSA-N 2 2 359.518 0.561 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000650688268 492661668 /nfs/dbraw/zinc/66/16/68/492661668.db2.gz CNKFGUQLWRFPML-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000650688268 492661671 /nfs/dbraw/zinc/66/16/71/492661671.db2.gz CNKFGUQLWRFPML-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000629661748 492662593 /nfs/dbraw/zinc/66/25/93/492662593.db2.gz CGINLLVTDOOMAS-QGZVFWFLSA-N 3 2 352.523 0.761 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000650798519 492668717 /nfs/dbraw/zinc/66/87/17/492668717.db2.gz AAJYBOQWBKHFRB-GOSISDBHSA-N 3 2 365.522 0.005 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000650798519 492668721 /nfs/dbraw/zinc/66/87/21/492668721.db2.gz AAJYBOQWBKHFRB-GOSISDBHSA-N 3 2 365.522 0.005 20 0 FCADLP CN1CCC([NH+]2CCC(NC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000650798519 492668724 /nfs/dbraw/zinc/66/87/24/492668724.db2.gz AAJYBOQWBKHFRB-GOSISDBHSA-N 2 2 365.522 0.005 20 0 FCADLP CN1CCC([NH+]2CCC(NC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000650798519 492668730 /nfs/dbraw/zinc/66/87/30/492668730.db2.gz AAJYBOQWBKHFRB-GOSISDBHSA-N 2 2 365.522 0.005 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629800779 492678900 /nfs/dbraw/zinc/67/89/00/492678900.db2.gz AUACDCZSNZNHCF-CQSZACIVSA-N 2 2 368.503 0.387 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000636755862 492682914 /nfs/dbraw/zinc/68/29/14/492682914.db2.gz HLWVJXVBQODZAS-UHFFFAOYSA-N 2 2 355.442 0.584 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000650970113 492689360 /nfs/dbraw/zinc/68/93/60/492689360.db2.gz NDMKMTKCBFZZIJ-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000650970113 492689361 /nfs/dbraw/zinc/68/93/61/492689361.db2.gz NDMKMTKCBFZZIJ-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000651021098 492695170 /nfs/dbraw/zinc/69/51/70/492695170.db2.gz UXLITIMZDLYBEV-MRXNPFEDSA-N 2 2 354.495 0.627 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000651021098 492695172 /nfs/dbraw/zinc/69/51/72/492695172.db2.gz UXLITIMZDLYBEV-MRXNPFEDSA-N 2 2 354.495 0.627 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnnn2CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315560 492741007 /nfs/dbraw/zinc/74/10/07/492741007.db2.gz ZAWGLIVUGGBNPZ-HOCLYGCPSA-N 2 2 361.494 0.253 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnnn2CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315560 492741010 /nfs/dbraw/zinc/74/10/10/492741010.db2.gz ZAWGLIVUGGBNPZ-HOCLYGCPSA-N 2 2 361.494 0.253 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1[nH+]ccn1C ZINC000625317755 492756058 /nfs/dbraw/zinc/75/60/58/492756058.db2.gz KEYHLQJXQWMUDA-BPUTZDHNSA-N 2 2 361.446 0.015 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644480216 492769349 /nfs/dbraw/zinc/76/93/49/492769349.db2.gz LLMCOJHHGOEWLC-OAGGEKHMSA-N 2 2 352.479 0.138 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644480216 492769353 /nfs/dbraw/zinc/76/93/53/492769353.db2.gz LLMCOJHHGOEWLC-OAGGEKHMSA-N 2 2 352.479 0.138 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccccc2)C1 ZINC000644539416 492783474 /nfs/dbraw/zinc/78/34/74/492783474.db2.gz IQYLUERTQZJXNF-HNNXBMFYSA-N 2 2 353.488 0.637 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743484 492787412 /nfs/dbraw/zinc/78/74/12/492787412.db2.gz CCXZSTOPYKSQLS-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657744391 492789362 /nfs/dbraw/zinc/78/93/62/492789362.db2.gz IRWDWSUDUWKWPW-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2[nH+]1 ZINC000657771542 492793492 /nfs/dbraw/zinc/79/34/92/492793492.db2.gz JWOLHKVWXBHZKP-JKSUJKDBSA-N 2 2 371.441 0.639 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)cc2[nH+]1 ZINC000657867498 492806023 /nfs/dbraw/zinc/80/60/23/492806023.db2.gz MNHMKSBJCSHRBP-CQSZACIVSA-N 2 2 373.457 0.885 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)cc2[nH+]1 ZINC000657867498 492806027 /nfs/dbraw/zinc/80/60/27/492806027.db2.gz MNHMKSBJCSHRBP-CQSZACIVSA-N 2 2 373.457 0.885 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520711 492808975 /nfs/dbraw/zinc/80/89/75/492808975.db2.gz WHPQRPZQVPAWEJ-OXQOHEQNSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520711 492808976 /nfs/dbraw/zinc/80/89/76/492808976.db2.gz WHPQRPZQVPAWEJ-OXQOHEQNSA-N 2 2 362.518 0.968 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637340704 492810180 /nfs/dbraw/zinc/81/01/80/492810180.db2.gz VOZPWSTXHAYHFN-OAHLLOKOSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000637375538 492815035 /nfs/dbraw/zinc/81/50/35/492815035.db2.gz MKYBBDHOPAAGGA-JYJNAYRXSA-N 2 2 362.478 0.815 20 0 FCADLP C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000637375538 492815037 /nfs/dbraw/zinc/81/50/37/492815037.db2.gz MKYBBDHOPAAGGA-JYJNAYRXSA-N 2 2 362.478 0.815 20 0 FCADLP Cc1cc(NCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000637411811 492825623 /nfs/dbraw/zinc/82/56/23/492825623.db2.gz TTWQKWSUEIDBIT-KBPBESRZSA-N 2 2 350.467 0.637 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000631698580 492837247 /nfs/dbraw/zinc/83/72/47/492837247.db2.gz BCDYTBPPFGATRQ-KRWDZBQOSA-N 2 2 355.504 0.759 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000631698580 492837251 /nfs/dbraw/zinc/83/72/51/492837251.db2.gz BCDYTBPPFGATRQ-KRWDZBQOSA-N 2 2 355.504 0.759 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000631715507 492839703 /nfs/dbraw/zinc/83/97/03/492839703.db2.gz UFZSNDZVOVFVIM-UHFFFAOYSA-N 2 2 372.535 0.041 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000631715507 492839706 /nfs/dbraw/zinc/83/97/06/492839706.db2.gz UFZSNDZVOVFVIM-UHFFFAOYSA-N 2 2 372.535 0.041 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000631724540 492841392 /nfs/dbraw/zinc/84/13/92/492841392.db2.gz RVVWXXMSUVZNQQ-UHFFFAOYSA-N 2 2 366.531 0.822 20 0 FCADLP C[C@H]1CN(c2ccc(CNS(=O)(=O)CCC[NH+](C)C)c[nH+]2)CCO1 ZINC000631755431 492847655 /nfs/dbraw/zinc/84/76/55/492847655.db2.gz BLAJYJDKWWFKJB-AWEZNQCLSA-N 2 2 356.492 0.678 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828458 492859045 /nfs/dbraw/zinc/85/90/45/492859045.db2.gz PJOUUXUAXIOHCR-GJZGRUSLSA-N 2 2 358.446 0.240 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828458 492859048 /nfs/dbraw/zinc/85/90/48/492859048.db2.gz PJOUUXUAXIOHCR-GJZGRUSLSA-N 2 2 358.446 0.240 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)[C@H]1c1[nH+]ccn1C ZINC000637818236 492870496 /nfs/dbraw/zinc/87/04/96/492870496.db2.gz BPJYVUCAVKGEFE-VRKREXBASA-N 2 2 363.462 0.213 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000631909752 492875413 /nfs/dbraw/zinc/87/54/13/492875413.db2.gz ONBGJKUEBLCNDP-KRWDZBQOSA-N 2 2 352.504 0.904 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000631909752 492875415 /nfs/dbraw/zinc/87/54/15/492875415.db2.gz ONBGJKUEBLCNDP-KRWDZBQOSA-N 2 2 352.504 0.904 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)CCO2 ZINC000645239186 492882201 /nfs/dbraw/zinc/88/22/01/492882201.db2.gz TUOFGUFLQJCQIX-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)CCO2 ZINC000645239186 492882203 /nfs/dbraw/zinc/88/22/03/492882203.db2.gz TUOFGUFLQJCQIX-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000637989045 492889020 /nfs/dbraw/zinc/88/90/20/492889020.db2.gz RKDOYRJKAWYFAV-UHFFFAOYSA-N 2 2 357.476 0.861 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638064889 492900182 /nfs/dbraw/zinc/90/01/82/492900182.db2.gz PUHYZCMJVNORLC-OAHLLOKOSA-N 2 2 372.391 0.986 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1-c1ccn(C)n1 ZINC000645407695 492903374 /nfs/dbraw/zinc/90/33/74/492903374.db2.gz RKRPJJXEHVMNPN-CQSZACIVSA-N 2 2 372.477 0.208 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1-c1ccn(C)n1 ZINC000645407695 492903376 /nfs/dbraw/zinc/90/33/76/492903376.db2.gz RKRPJJXEHVMNPN-CQSZACIVSA-N 2 2 372.477 0.208 20 0 FCADLP C[C@H](NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000638101230 492905303 /nfs/dbraw/zinc/90/53/03/492905303.db2.gz OTYNQWGLEPNNCX-SDDRHHMPSA-N 2 2 372.420 0.589 20 0 FCADLP C[C@H](NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000638101231 492905884 /nfs/dbraw/zinc/90/58/84/492905884.db2.gz OTYNQWGLEPNNCX-SRVKXCTJSA-N 2 2 372.420 0.589 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000652309254 492908991 /nfs/dbraw/zinc/90/89/91/492908991.db2.gz NISOKTFWOWSFQO-UHFFFAOYSA-N 2 2 351.495 0.326 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116185 492909428 /nfs/dbraw/zinc/90/94/28/492909428.db2.gz HRBHIXKZDUNYMX-APWZRJJASA-N 3 2 360.502 0.850 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116185 492909435 /nfs/dbraw/zinc/90/94/35/492909435.db2.gz HRBHIXKZDUNYMX-APWZRJJASA-N 3 2 360.502 0.850 20 0 FCADLP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000638116919 492909598 /nfs/dbraw/zinc/90/95/98/492909598.db2.gz HSMLDVYTGQWLDK-AWEZNQCLSA-N 2 2 368.503 0.237 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350745 492913662 /nfs/dbraw/zinc/91/36/62/492913662.db2.gz DUAKGAIDZWJANL-LRDDRELGSA-N 2 2 352.460 0.333 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350745 492913666 /nfs/dbraw/zinc/91/36/66/492913666.db2.gz DUAKGAIDZWJANL-LRDDRELGSA-N 2 2 352.460 0.333 20 0 FCADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652353474 492915199 /nfs/dbraw/zinc/91/51/99/492915199.db2.gz LMMZMTXYGXECPS-DOMZBBRYSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652353474 492915203 /nfs/dbraw/zinc/91/52/03/492915203.db2.gz LMMZMTXYGXECPS-DOMZBBRYSA-N 2 2 354.476 0.722 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363319 492916186 /nfs/dbraw/zinc/91/61/86/492916186.db2.gz AYOLDGBJUKXCFZ-BRWVUGGUSA-N 2 2 364.494 0.961 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363319 492916189 /nfs/dbraw/zinc/91/61/89/492916189.db2.gz AYOLDGBJUKXCFZ-BRWVUGGUSA-N 2 2 364.494 0.961 20 0 FCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000638279412 492928336 /nfs/dbraw/zinc/92/83/36/492928336.db2.gz MSHCTNNXAJALIP-LSDHHAIUSA-N 2 2 362.478 0.396 20 0 FCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638279412 492928338 /nfs/dbraw/zinc/92/83/38/492928338.db2.gz MSHCTNNXAJALIP-LSDHHAIUSA-N 2 2 362.478 0.396 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101177 492929571 /nfs/dbraw/zinc/92/95/71/492929571.db2.gz QTSZGEBGCYLYKC-JKSUJKDBSA-N 2 2 363.510 0.656 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101177 492929573 /nfs/dbraw/zinc/92/95/73/492929573.db2.gz QTSZGEBGCYLYKC-JKSUJKDBSA-N 2 2 363.510 0.656 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101175 492929618 /nfs/dbraw/zinc/92/96/18/492929618.db2.gz QTSZGEBGCYLYKC-HOTGVXAUSA-N 2 2 363.510 0.656 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101175 492929619 /nfs/dbraw/zinc/92/96/19/492929619.db2.gz QTSZGEBGCYLYKC-HOTGVXAUSA-N 2 2 363.510 0.656 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)c1 ZINC000638293301 492929701 /nfs/dbraw/zinc/92/97/01/492929701.db2.gz JDBNCUVYKFZSCB-UHFFFAOYSA-N 2 2 362.474 0.123 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000652431269 492930644 /nfs/dbraw/zinc/93/06/44/492930644.db2.gz CYCNXNYQAUWTAK-UHFFFAOYSA-N 2 2 362.474 0.760 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CN2CC[NH2+]CC2)on1 ZINC000638320164 492934898 /nfs/dbraw/zinc/93/48/98/492934898.db2.gz XOCZWWMLIRSFLZ-GJZGRUSLSA-N 2 2 353.442 0.259 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CN2CC[NH2+]CC2)on1 ZINC000638320164 492934904 /nfs/dbraw/zinc/93/49/04/492934904.db2.gz XOCZWWMLIRSFLZ-GJZGRUSLSA-N 2 2 353.442 0.259 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000658539696 492937765 /nfs/dbraw/zinc/93/77/65/492937765.db2.gz GZCDGVBWXSRYCC-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638398257 492943721 /nfs/dbraw/zinc/94/37/21/492943721.db2.gz UKNXGNAYQWEYEC-GOSISDBHSA-N 2 2 365.474 0.372 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638480833 492952686 /nfs/dbraw/zinc/95/26/86/492952686.db2.gz BBNPOKLVAHBURE-MRXNPFEDSA-N 2 2 368.503 0.366 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638480833 492952688 /nfs/dbraw/zinc/95/26/88/492952688.db2.gz BBNPOKLVAHBURE-MRXNPFEDSA-N 2 2 368.503 0.366 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638615952 492965933 /nfs/dbraw/zinc/96/59/33/492965933.db2.gz KCMDMSXDWAVNDY-GOEBONIOSA-N 2 2 350.438 0.441 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638730204 492973671 /nfs/dbraw/zinc/97/36/71/492973671.db2.gz VIFDISQLEVYKOP-CVEARBPZSA-N 2 2 370.457 0.512 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638730204 492973675 /nfs/dbraw/zinc/97/36/75/492973675.db2.gz VIFDISQLEVYKOP-CVEARBPZSA-N 2 2 370.457 0.512 20 0 FCADLP Cn1ncnc1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000638854450 492981227 /nfs/dbraw/zinc/98/12/27/492981227.db2.gz VDNJVCIIMOBKBF-UHFFFAOYSA-N 2 2 358.446 0.766 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(C)(C)CO ZINC000632392756 492990008 /nfs/dbraw/zinc/99/00/08/492990008.db2.gz AIGYTBNLRKJKDK-CQSZACIVSA-N 2 2 358.508 0.885 20 0 FCADLP O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987371 492990584 /nfs/dbraw/zinc/99/05/84/492990584.db2.gz QFJCAXLTCDJQNY-UHFFFAOYSA-N 2 2 365.393 0.726 20 0 FCADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004279 492991991 /nfs/dbraw/zinc/99/19/91/492991991.db2.gz MZPNRRFQTHJSHM-UHFFFAOYSA-N 2 2 370.457 0.932 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658652844 492992351 /nfs/dbraw/zinc/99/23/51/492992351.db2.gz SIYVLNKUKCWJBY-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658652844 492992353 /nfs/dbraw/zinc/99/23/53/492992353.db2.gz SIYVLNKUKCWJBY-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000652696205 492992810 /nfs/dbraw/zinc/99/28/10/492992810.db2.gz IHRXLIISBGUIHO-MSOLQXFVSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000652696205 492992812 /nfs/dbraw/zinc/99/28/12/492992812.db2.gz IHRXLIISBGUIHO-MSOLQXFVSA-N 2 2 358.486 0.630 20 0 FCADLP [NH3+]Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)o1 ZINC000646049814 493008745 /nfs/dbraw/zinc/00/87/45/493008745.db2.gz YKVYHIYNDKJYQQ-UHFFFAOYSA-N 2 2 372.429 0.327 20 0 FCADLP [NH3+]Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)o1 ZINC000646049814 493008748 /nfs/dbraw/zinc/00/87/48/493008748.db2.gz YKVYHIYNDKJYQQ-UHFFFAOYSA-N 2 2 372.429 0.327 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102768 493013220 /nfs/dbraw/zinc/01/32/20/493013220.db2.gz QSKVFBYLDQYFRH-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102768 493013224 /nfs/dbraw/zinc/01/32/24/493013224.db2.gz QSKVFBYLDQYFRH-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104689 493013618 /nfs/dbraw/zinc/01/36/18/493013618.db2.gz MLAKZCMDRMOOLM-CQSZACIVSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104689 493013621 /nfs/dbraw/zinc/01/36/21/493013621.db2.gz MLAKZCMDRMOOLM-CQSZACIVSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652736748 493013771 /nfs/dbraw/zinc/01/37/71/493013771.db2.gz OGADTYXETYMYKP-QRQLOZEOSA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652736748 493013774 /nfs/dbraw/zinc/01/37/74/493013774.db2.gz OGADTYXETYMYKP-QRQLOZEOSA-N 2 2 372.513 0.815 20 0 FCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508629 493015334 /nfs/dbraw/zinc/01/53/34/493015334.db2.gz XUZWGZOAYIYQFQ-OAHLLOKOSA-N 2 2 374.551 0.190 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508629 493015337 /nfs/dbraw/zinc/01/53/37/493015337.db2.gz XUZWGZOAYIYQFQ-OAHLLOKOSA-N 2 2 374.551 0.190 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508629 493015339 /nfs/dbraw/zinc/01/53/39/493015339.db2.gz XUZWGZOAYIYQFQ-OAHLLOKOSA-N 2 2 374.551 0.190 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639508629 493015340 /nfs/dbraw/zinc/01/53/40/493015340.db2.gz XUZWGZOAYIYQFQ-OAHLLOKOSA-N 2 2 374.551 0.190 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000626854950 493038287 /nfs/dbraw/zinc/03/82/87/493038287.db2.gz ONEUYDVQLXPBGP-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2nccn2C)C(C)(C)CO)CC1 ZINC000639771501 493048495 /nfs/dbraw/zinc/04/84/95/493048495.db2.gz CQQBJHSPRZFLHX-MRXNPFEDSA-N 2 2 351.495 0.670 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658807621 493063167 /nfs/dbraw/zinc/06/31/67/493063167.db2.gz PDNYAPSTGCQTAE-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658807621 493063170 /nfs/dbraw/zinc/06/31/70/493063170.db2.gz PDNYAPSTGCQTAE-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000653056399 493064155 /nfs/dbraw/zinc/06/41/55/493064155.db2.gz DOZUQQCLQBTQGU-OAHLLOKOSA-N 2 2 354.476 0.689 20 0 FCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)N(C)C ZINC000653069250 493066126 /nfs/dbraw/zinc/06/61/26/493066126.db2.gz HUXHBACZFAQWGA-CVEARBPZSA-N 2 2 364.490 1.000 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626934457 493066433 /nfs/dbraw/zinc/06/64/33/493066433.db2.gz FZVVVSOSOXYQSX-UPJWGTAASA-N 2 2 352.401 0.876 20 0 FCADLP Cc1cccc([C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000626933913 493066892 /nfs/dbraw/zinc/06/68/92/493066892.db2.gz PRZXWNAMARTRDJ-MSOLQXFVSA-N 2 2 362.474 0.656 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000653075661 493067142 /nfs/dbraw/zinc/06/71/42/493067142.db2.gz VXJCRQUDUYHSLX-CYBMUJFWSA-N 2 2 371.279 0.574 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000653088017 493068897 /nfs/dbraw/zinc/06/88/97/493068897.db2.gz OKGOCEBNTCJQFJ-GOSISDBHSA-N 2 2 360.502 0.863 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000626946581 493069099 /nfs/dbraw/zinc/06/90/99/493069099.db2.gz TXOOOVWRMGIGNA-NVXWUHKLSA-N 2 2 356.536 0.834 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000626944436 493069404 /nfs/dbraw/zinc/06/94/04/493069404.db2.gz QQVHSINIYGKJDB-GOSISDBHSA-N 2 2 364.490 0.985 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000653112604 493071844 /nfs/dbraw/zinc/07/18/44/493071844.db2.gz CVJFFMIGSWRXRQ-QGZVFWFLSA-N 2 2 355.442 0.651 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653116574 493072737 /nfs/dbraw/zinc/07/27/37/493072737.db2.gz MBXNSILJUYTJQH-DLBZAZTESA-N 2 2 371.485 0.930 20 0 FCADLP CN(CCOCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000626976100 493073182 /nfs/dbraw/zinc/07/31/82/493073182.db2.gz OYVPESGRTNLYQS-SFHVURJKSA-N 2 2 364.490 0.547 20 0 FCADLP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653124617 493074494 /nfs/dbraw/zinc/07/44/94/493074494.db2.gz CFLADYQLTDXNJB-IBGZPJMESA-N 3 2 361.534 0.902 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653124826 493076033 /nfs/dbraw/zinc/07/60/33/493076033.db2.gz IIDPHDCVRDBGJH-LJQANCHMSA-N 3 2 367.582 0.920 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653124826 493076036 /nfs/dbraw/zinc/07/60/36/493076036.db2.gz IIDPHDCVRDBGJH-LJQANCHMSA-N 4 2 367.582 0.920 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000653151731 493078549 /nfs/dbraw/zinc/07/85/49/493078549.db2.gz QUKNZEFFTIZNKO-JKSUJKDBSA-N 2 2 374.489 0.479 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000653151731 493078552 /nfs/dbraw/zinc/07/85/52/493078552.db2.gz QUKNZEFFTIZNKO-JKSUJKDBSA-N 2 2 374.489 0.479 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000653155209 493079133 /nfs/dbraw/zinc/07/91/33/493079133.db2.gz LWJSABGHHQQYQW-HNNXBMFYSA-N 2 2 352.410 0.516 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000653154736 493079220 /nfs/dbraw/zinc/07/92/20/493079220.db2.gz ZSFBEQNDQVSAGF-CVEARBPZSA-N 2 2 368.428 0.851 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653154813 493079334 /nfs/dbraw/zinc/07/93/34/493079334.db2.gz AIJDEYKCKFBGOW-GOSISDBHSA-N 2 2 361.490 0.568 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653154813 493079336 /nfs/dbraw/zinc/07/93/36/493079336.db2.gz AIJDEYKCKFBGOW-GOSISDBHSA-N 3 2 361.490 0.568 20 0 FCADLP COc1ccccc1COC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640048946 493079693 /nfs/dbraw/zinc/07/96/93/493079693.db2.gz GMWAAEGFPUXHLR-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP COc1ccccc1COC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640048946 493079695 /nfs/dbraw/zinc/07/96/95/493079695.db2.gz GMWAAEGFPUXHLR-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640051497 493081437 /nfs/dbraw/zinc/08/14/37/493081437.db2.gz OGWNTIHSCITVRY-INIZCTEOSA-N 2 2 352.523 0.977 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640051497 493081438 /nfs/dbraw/zinc/08/14/38/493081438.db2.gz OGWNTIHSCITVRY-INIZCTEOSA-N 2 2 352.523 0.977 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000640091791 493082588 /nfs/dbraw/zinc/08/25/88/493082588.db2.gz OWKJOXXCSAQFGQ-ULQDDVLXSA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000640091791 493082585 /nfs/dbraw/zinc/08/25/85/493082585.db2.gz OWKJOXXCSAQFGQ-ULQDDVLXSA-N 2 2 353.507 0.839 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633033318 493106568 /nfs/dbraw/zinc/10/65/68/493106568.db2.gz LKNLFRGQRZPRIU-IYBDPMFKSA-N 2 2 358.442 0.420 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633033994 493107981 /nfs/dbraw/zinc/10/79/81/493107981.db2.gz YSGWIEFREZQQEA-OKILXGFUSA-N 2 2 359.430 0.128 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000633040449 493108480 /nfs/dbraw/zinc/10/84/80/493108480.db2.gz XMQBCTHSIDJFSU-WBVHZDCISA-N 2 2 373.501 0.711 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000627232497 493112894 /nfs/dbraw/zinc/11/28/94/493112894.db2.gz DDMXFYQUALZDHZ-QGZVFWFLSA-N 2 2 370.461 0.235 20 0 FCADLP CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000659047399 493128362 /nfs/dbraw/zinc/12/83/62/493128362.db2.gz ZXWFBGUWYRKNCX-HNNXBMFYSA-N 2 2 369.491 0.579 20 0 FCADLP CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000659047399 493128363 /nfs/dbraw/zinc/12/83/63/493128363.db2.gz ZXWFBGUWYRKNCX-HNNXBMFYSA-N 2 2 369.491 0.579 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109207 493130610 /nfs/dbraw/zinc/13/06/10/493130610.db2.gz NEIXHMMBUIRUDF-CRAIPNDOSA-N 2 2 358.490 0.829 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109207 493130614 /nfs/dbraw/zinc/13/06/14/493130614.db2.gz NEIXHMMBUIRUDF-CRAIPNDOSA-N 2 2 358.490 0.829 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)CC1 ZINC000640837465 493134646 /nfs/dbraw/zinc/13/46/46/493134646.db2.gz RPDMSAHCKDTUBQ-SFHVURJKSA-N 2 2 354.458 0.829 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000633129500 493135181 /nfs/dbraw/zinc/13/51/81/493135181.db2.gz NLOVWQONPAOUQV-WBVHZDCISA-N 2 2 362.478 0.065 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000633129500 493135185 /nfs/dbraw/zinc/13/51/85/493135185.db2.gz NLOVWQONPAOUQV-WBVHZDCISA-N 2 2 362.478 0.065 20 0 FCADLP C[C@@H](COCC1CC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000653455116 493147685 /nfs/dbraw/zinc/14/76/85/493147685.db2.gz GDQROJKLGOYAGH-HNNXBMFYSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](COCC1CC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000653455116 493147689 /nfs/dbraw/zinc/14/76/89/493147689.db2.gz GDQROJKLGOYAGH-HNNXBMFYSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+](C)C1 ZINC000647052332 493153592 /nfs/dbraw/zinc/15/35/92/493153592.db2.gz XWGJNYNZQPFOCU-CVEARBPZSA-N 2 2 359.474 0.719 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647052332 493153596 /nfs/dbraw/zinc/15/35/96/493153596.db2.gz XWGJNYNZQPFOCU-CVEARBPZSA-N 2 2 359.474 0.719 20 0 FCADLP C[NH+](C)CCc1cn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000641031653 493163197 /nfs/dbraw/zinc/16/31/97/493163197.db2.gz USKPEEGORCWEHH-UHFFFAOYSA-N 2 2 362.503 0.788 20 0 FCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000653635420 493164077 /nfs/dbraw/zinc/16/40/77/493164077.db2.gz LPJQMCNXRMESDJ-UHFFFAOYSA-N 2 2 363.487 0.822 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)Cn2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000641047905 493164285 /nfs/dbraw/zinc/16/42/85/493164285.db2.gz ROBGTCWJGAEFKE-UHFFFAOYSA-N 2 2 366.535 0.816 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(CCCC[NH3+])nn1 ZINC000641171420 493174212 /nfs/dbraw/zinc/17/42/12/493174212.db2.gz SFHFUVQZVWMWPE-OAHLLOKOSA-N 2 2 357.462 0.864 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CO1 ZINC000647184129 493174276 /nfs/dbraw/zinc/17/42/76/493174276.db2.gz IIXOWJORFJMUKR-ZBFHGGJFSA-N 2 2 353.488 0.890 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000627357751 493174321 /nfs/dbraw/zinc/17/43/21/493174321.db2.gz PEBREANIEOAFDT-GJZGRUSLSA-N 2 2 352.504 0.923 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000659455195 493184088 /nfs/dbraw/zinc/18/40/88/493184088.db2.gz VLVMFRYYLWMQAV-HNNXBMFYSA-N 2 2 353.511 0.618 20 0 FCADLP O[C@@]1(Cn2cc(CC[NH+]3CCOCC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230795 493184985 /nfs/dbraw/zinc/18/49/85/493184985.db2.gz UOCXJIHVOBYTDG-FQEVSTJZSA-N 2 2 371.485 0.790 20 0 FCADLP O[C@@]1(Cn2cc(CC[NH+]3CCOCC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230795 493184992 /nfs/dbraw/zinc/18/49/92/493184992.db2.gz UOCXJIHVOBYTDG-FQEVSTJZSA-N 2 2 371.485 0.790 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672531851 493194834 /nfs/dbraw/zinc/19/48/34/493194834.db2.gz WFZILNYDACWXMH-ZFWWWQNUSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672531851 493194839 /nfs/dbraw/zinc/19/48/39/493194839.db2.gz WFZILNYDACWXMH-ZFWWWQNUSA-N 2 2 354.520 0.235 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000681604887 493195911 /nfs/dbraw/zinc/19/59/11/493195911.db2.gz LUFXUUNTXVMSIT-INIZCTEOSA-N 2 2 360.487 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@H](n2cncn2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000681604887 493195917 /nfs/dbraw/zinc/19/59/17/493195917.db2.gz LUFXUUNTXVMSIT-INIZCTEOSA-N 2 2 360.487 0.931 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536837 493196212 /nfs/dbraw/zinc/19/62/12/493196212.db2.gz GQHBYHHURPSSBG-AEFFLSMTSA-N 2 2 373.501 0.934 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536837 493196215 /nfs/dbraw/zinc/19/62/15/493196215.db2.gz GQHBYHHURPSSBG-AEFFLSMTSA-N 2 2 373.501 0.934 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536840 493196964 /nfs/dbraw/zinc/19/69/64/493196964.db2.gz GQHBYHHURPSSBG-WMZOPIPTSA-N 2 2 373.501 0.934 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536840 493196969 /nfs/dbraw/zinc/19/69/69/493196969.db2.gz GQHBYHHURPSSBG-WMZOPIPTSA-N 2 2 373.501 0.934 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)CCC(=O)N1C ZINC000659529600 493206194 /nfs/dbraw/zinc/20/61/94/493206194.db2.gz LFIYKHKOKVLNSQ-DHSIGJKJSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000672593910 493212536 /nfs/dbraw/zinc/21/25/36/493212536.db2.gz JHSQDDDQIDRHRE-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000672593910 493212541 /nfs/dbraw/zinc/21/25/41/493212541.db2.gz JHSQDDDQIDRHRE-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n(-c2nc(C)cc(C)n2)n1 ZINC000666699519 493218299 /nfs/dbraw/zinc/21/82/99/493218299.db2.gz BDIJOQVUILFETD-AWEZNQCLSA-N 2 2 358.450 0.694 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n(-c2nc(C)cc(C)n2)n1 ZINC000666699519 493218301 /nfs/dbraw/zinc/21/83/01/493218301.db2.gz BDIJOQVUILFETD-AWEZNQCLSA-N 2 2 358.450 0.694 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000672637446 493219666 /nfs/dbraw/zinc/21/96/66/493219666.db2.gz HOWJGFXUVZEPNT-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000672637446 493219669 /nfs/dbraw/zinc/21/96/69/493219669.db2.gz HOWJGFXUVZEPNT-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000672637343 493219708 /nfs/dbraw/zinc/21/97/08/493219708.db2.gz FGEDJYCSDDRWCG-HNNXBMFYSA-N 2 2 368.522 0.186 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000672637343 493219711 /nfs/dbraw/zinc/21/97/11/493219711.db2.gz FGEDJYCSDDRWCG-HNNXBMFYSA-N 2 2 368.522 0.186 20 0 FCADLP CCc1ccnc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637352 493220961 /nfs/dbraw/zinc/22/09/61/493220961.db2.gz FICCLKHSEPLGJR-MRXNPFEDSA-N 2 2 373.501 0.545 20 0 FCADLP CCc1ccnc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637352 493220964 /nfs/dbraw/zinc/22/09/64/493220964.db2.gz FICCLKHSEPLGJR-MRXNPFEDSA-N 2 2 373.501 0.545 20 0 FCADLP CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638689 493221516 /nfs/dbraw/zinc/22/15/16/493221516.db2.gz UOHKTCYVFIZNEY-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638689 493221519 /nfs/dbraw/zinc/22/15/19/493221519.db2.gz UOHKTCYVFIZNEY-HRCADAONSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3c3ccc[nH]3)C2)CC1 ZINC000672641214 493223456 /nfs/dbraw/zinc/22/34/56/493223456.db2.gz NNPRQYULRYDNNK-YJBOKZPZSA-N 2 2 373.501 0.963 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3c3ccc[nH]3)C2)CC1 ZINC000672641214 493223459 /nfs/dbraw/zinc/22/34/59/493223459.db2.gz NNPRQYULRYDNNK-YJBOKZPZSA-N 2 2 373.501 0.963 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000666758693 493223604 /nfs/dbraw/zinc/22/36/04/493223604.db2.gz ZOOUTKRILFHTMX-SJORKVTESA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640865 493224619 /nfs/dbraw/zinc/22/46/19/493224619.db2.gz KYXOAYYTOIFQDZ-XHSDSOJGSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640865 493224622 /nfs/dbraw/zinc/22/46/22/493224622.db2.gz KYXOAYYTOIFQDZ-XHSDSOJGSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000672641813 493225766 /nfs/dbraw/zinc/22/57/66/493225766.db2.gz ULNYZWRQQQRRME-ZFWWWQNUSA-N 2 2 354.520 0.283 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000672641813 493225768 /nfs/dbraw/zinc/22/57/68/493225768.db2.gz ULNYZWRQQQRRME-ZFWWWQNUSA-N 2 2 354.520 0.283 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642283 493226640 /nfs/dbraw/zinc/22/66/40/493226640.db2.gz DZSUJFPIMLTVKO-GOEBONIOSA-N 2 2 354.495 0.058 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642283 493226643 /nfs/dbraw/zinc/22/66/43/493226643.db2.gz DZSUJFPIMLTVKO-GOEBONIOSA-N 2 2 354.495 0.058 20 0 FCADLP CCN(Cc1ccoc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641894 493226949 /nfs/dbraw/zinc/22/69/49/493226949.db2.gz ZTDMWUAWCFGZKE-MRXNPFEDSA-N 2 2 362.474 0.913 20 0 FCADLP CCN(Cc1ccoc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641894 493226951 /nfs/dbraw/zinc/22/69/51/493226951.db2.gz ZTDMWUAWCFGZKE-MRXNPFEDSA-N 2 2 362.474 0.913 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000672693428 493233507 /nfs/dbraw/zinc/23/35/07/493233507.db2.gz WIOGLEULXNTCCD-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000666974498 493243366 /nfs/dbraw/zinc/24/33/66/493243366.db2.gz RTJJUBPFHFJLIH-MSOLQXFVSA-N 2 2 366.506 0.746 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000659675018 493245132 /nfs/dbraw/zinc/24/51/32/493245132.db2.gz XPCMFEJMUUGGOR-KRWDZBQOSA-N 2 2 374.485 0.391 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000659675018 493245136 /nfs/dbraw/zinc/24/51/36/493245136.db2.gz XPCMFEJMUUGGOR-KRWDZBQOSA-N 2 2 374.485 0.391 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCC1 ZINC000659682229 493248926 /nfs/dbraw/zinc/24/89/26/493248926.db2.gz HUTZUEJTXFUNOD-HUUCEWRRSA-N 2 2 352.479 0.134 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659682977 493249576 /nfs/dbraw/zinc/24/95/76/493249576.db2.gz QOTYAJPDMLMTIH-MRXNPFEDSA-N 2 2 359.474 0.170 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659682977 493249579 /nfs/dbraw/zinc/24/95/79/493249579.db2.gz QOTYAJPDMLMTIH-MRXNPFEDSA-N 2 2 359.474 0.170 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659682976 493250383 /nfs/dbraw/zinc/25/03/83/493250383.db2.gz QOTYAJPDMLMTIH-INIZCTEOSA-N 2 2 359.474 0.170 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659682976 493250388 /nfs/dbraw/zinc/25/03/88/493250388.db2.gz QOTYAJPDMLMTIH-INIZCTEOSA-N 2 2 359.474 0.170 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000667142302 493261413 /nfs/dbraw/zinc/26/14/13/493261413.db2.gz BEKUMNTVNUKNOT-KSSFIOAISA-N 2 2 372.469 0.592 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672920383 493266556 /nfs/dbraw/zinc/26/65/56/493266556.db2.gz UVUCNKXQDOXQGP-JKSUJKDBSA-N 2 2 368.547 0.625 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCS1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672920383 493266560 /nfs/dbraw/zinc/26/65/60/493266560.db2.gz UVUCNKXQDOXQGP-JKSUJKDBSA-N 2 2 368.547 0.625 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659716717 493269719 /nfs/dbraw/zinc/26/97/19/493269719.db2.gz BYJLNYXQBLBCNR-ZBFHGGJFSA-N 2 2 359.474 0.932 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000641666700 493273875 /nfs/dbraw/zinc/27/38/75/493273875.db2.gz ITYMOJULFVIGCS-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000641666700 493273879 /nfs/dbraw/zinc/27/38/79/493273879.db2.gz ITYMOJULFVIGCS-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000641667620 493274015 /nfs/dbraw/zinc/27/40/15/493274015.db2.gz HEAZXCLSNUXETR-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000641667620 493274016 /nfs/dbraw/zinc/27/40/16/493274016.db2.gz HEAZXCLSNUXETR-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP CCc1onc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270463 493284392 /nfs/dbraw/zinc/28/43/92/493284392.db2.gz JOJVUPLKTWYZPB-CYBMUJFWSA-N 2 2 363.462 0.769 20 0 FCADLP CCc1onc(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270463 493284394 /nfs/dbraw/zinc/28/43/94/493284394.db2.gz JOJVUPLKTWYZPB-CYBMUJFWSA-N 2 2 363.462 0.769 20 0 FCADLP CCc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682271192 493284458 /nfs/dbraw/zinc/28/44/58/493284458.db2.gz YAIHSFLPQWPIFC-CYBMUJFWSA-N 2 2 362.478 0.206 20 0 FCADLP CCc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682271192 493284460 /nfs/dbraw/zinc/28/44/60/493284460.db2.gz YAIHSFLPQWPIFC-CYBMUJFWSA-N 2 2 362.478 0.206 20 0 FCADLP Cc1csc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000682270905 493284929 /nfs/dbraw/zinc/28/49/29/493284929.db2.gz OSEXFNPIQHLNQE-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1csc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000682270905 493284931 /nfs/dbraw/zinc/28/49/31/493284931.db2.gz OSEXFNPIQHLNQE-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659876987 493296324 /nfs/dbraw/zinc/29/63/24/493296324.db2.gz ASLSIIYCBRRDJU-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673303655 493315532 /nfs/dbraw/zinc/31/55/32/493315532.db2.gz LODHBBQDVNIPBP-JKSUJKDBSA-N 2 2 368.441 0.837 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660637875 493369048 /nfs/dbraw/zinc/36/90/48/493369048.db2.gz HHLLBSFMCYUVEI-IBGZPJMESA-N 2 2 374.533 0.839 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4NC(=O)CC[C@@H]4C3)C2)CC1 ZINC000660711715 493375350 /nfs/dbraw/zinc/37/53/50/493375350.db2.gz GCRDRXMFLYNZEZ-HLLBOEOZSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4NC(=O)CC[C@@H]4C3)C2)CC1 ZINC000660711715 493375352 /nfs/dbraw/zinc/37/53/52/493375352.db2.gz GCRDRXMFLYNZEZ-HLLBOEOZSA-N 2 2 363.506 0.465 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000668553000 493375648 /nfs/dbraw/zinc/37/56/48/493375648.db2.gz YKHGFADODIUBFJ-HNNXBMFYSA-N 2 2 361.490 0.867 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000668553000 493375650 /nfs/dbraw/zinc/37/56/50/493375650.db2.gz YKHGFADODIUBFJ-HNNXBMFYSA-N 2 2 361.490 0.867 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668569990 493377283 /nfs/dbraw/zinc/37/72/83/493377283.db2.gz LQHWRYDIDCVSJF-DOTOQJQBSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000668569990 493377287 /nfs/dbraw/zinc/37/72/87/493377287.db2.gz LQHWRYDIDCVSJF-DOTOQJQBSA-N 2 2 355.442 0.779 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000673993856 493380650 /nfs/dbraw/zinc/38/06/50/493380650.db2.gz SNNWHRYYIBHQFT-CVEARBPZSA-N 2 2 358.446 0.961 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@@H]34)C2)CC1 ZINC000668639688 493388346 /nfs/dbraw/zinc/38/83/46/493388346.db2.gz KUFVQIJUFAAVJT-OWLYRPNTSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@H]4CCCC[C@@H]34)C2)CC1 ZINC000668639688 493388347 /nfs/dbraw/zinc/38/83/47/493388347.db2.gz KUFVQIJUFAAVJT-OWLYRPNTSA-N 2 2 362.518 0.966 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000674140577 493392847 /nfs/dbraw/zinc/39/28/47/493392847.db2.gz LCKWQDUOPYGIIB-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668692806 493398453 /nfs/dbraw/zinc/39/84/53/493398453.db2.gz ILYRLCYTSULGPY-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668692806 493398458 /nfs/dbraw/zinc/39/84/58/493398458.db2.gz ILYRLCYTSULGPY-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000661006516 493401485 /nfs/dbraw/zinc/40/14/85/493401485.db2.gz IGSNOQMQISEFAK-HOTGVXAUSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+](CCOCC[N@@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000674232170 493402661 /nfs/dbraw/zinc/40/26/61/493402661.db2.gz RUBNDTCQFNDUQW-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP C[NH+](CCOCC[N@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000674232170 493402664 /nfs/dbraw/zinc/40/26/64/493402664.db2.gz RUBNDTCQFNDUQW-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294591 493405837 /nfs/dbraw/zinc/40/58/37/493405837.db2.gz HIEWPQYCGPJILH-LSDHHAIUSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294591 493405841 /nfs/dbraw/zinc/40/58/41/493405841.db2.gz HIEWPQYCGPJILH-LSDHHAIUSA-N 2 2 351.495 0.463 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000684435367 493412277 /nfs/dbraw/zinc/41/22/77/493412277.db2.gz YUNYVRHJBBWDKM-JKSUJKDBSA-N 2 2 372.473 0.894 20 0 FCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178670 493416199 /nfs/dbraw/zinc/41/61/99/493416199.db2.gz ILHOQCIUBZBCPD-OKZBNKHCSA-N 2 2 357.454 0.559 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178670 493416202 /nfs/dbraw/zinc/41/62/02/493416202.db2.gz ILHOQCIUBZBCPD-OKZBNKHCSA-N 2 2 357.454 0.559 20 0 FCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178670 493416203 /nfs/dbraw/zinc/41/62/03/493416203.db2.gz ILHOQCIUBZBCPD-OKZBNKHCSA-N 2 2 357.454 0.559 20 0 FCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1)C1CC1 ZINC000661178670 493416206 /nfs/dbraw/zinc/41/62/06/493416206.db2.gz ILHOQCIUBZBCPD-OKZBNKHCSA-N 2 2 357.454 0.559 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000668829199 493417865 /nfs/dbraw/zinc/41/78/65/493417865.db2.gz LAPPUDDKTSKROC-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843039 493419402 /nfs/dbraw/zinc/41/94/02/493419402.db2.gz MQWHZVCYEPCYRU-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843039 493419405 /nfs/dbraw/zinc/41/94/05/493419405.db2.gz MQWHZVCYEPCYRU-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000668843039 493419407 /nfs/dbraw/zinc/41/94/07/493419407.db2.gz MQWHZVCYEPCYRU-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000668843039 493419409 /nfs/dbraw/zinc/41/94/09/493419409.db2.gz MQWHZVCYEPCYRU-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000668849448 493421732 /nfs/dbraw/zinc/42/17/32/493421732.db2.gz ISCFEHMOXGWPKG-JQHSSLGASA-N 2 2 362.474 0.818 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](CO)[C@H]3CCOC3)C2)CC1 ZINC000684660992 493427080 /nfs/dbraw/zinc/42/70/80/493427080.db2.gz RKQHDOTVKHEUQO-JYJNAYRXSA-N 2 2 354.495 0.099 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](CO)[C@H]3CCOC3)C2)CC1 ZINC000684660992 493427084 /nfs/dbraw/zinc/42/70/84/493427084.db2.gz RKQHDOTVKHEUQO-JYJNAYRXSA-N 2 2 354.495 0.099 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000668892181 493429347 /nfs/dbraw/zinc/42/93/47/493429347.db2.gz YMEZYVSOZIDWEO-GVDBMIGSSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@H+]1C ZINC000668892656 493429612 /nfs/dbraw/zinc/42/96/12/493429612.db2.gz IXUIRTNGNWYFBV-GDBMZVCRSA-N 2 2 359.474 0.897 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674878158 493454956 /nfs/dbraw/zinc/45/49/56/493454956.db2.gz BXNHPGWWABQIHT-MRXNPFEDSA-N 2 2 366.531 0.946 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674878158 493454960 /nfs/dbraw/zinc/45/49/60/493454960.db2.gz BXNHPGWWABQIHT-MRXNPFEDSA-N 2 2 366.531 0.946 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000685276301 493471432 /nfs/dbraw/zinc/47/14/32/493471432.db2.gz WZNZTMJJZVGMPO-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000685276301 493471433 /nfs/dbraw/zinc/47/14/33/493471433.db2.gz WZNZTMJJZVGMPO-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276301 493471434 /nfs/dbraw/zinc/47/14/34/493471434.db2.gz WZNZTMJJZVGMPO-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276301 493471435 /nfs/dbraw/zinc/47/14/35/493471435.db2.gz WZNZTMJJZVGMPO-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305838 493473493 /nfs/dbraw/zinc/47/34/93/493473493.db2.gz ZXFRJPXVUYZEPW-APWZRJJASA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305838 493473494 /nfs/dbraw/zinc/47/34/94/493473494.db2.gz ZXFRJPXVUYZEPW-APWZRJJASA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000685344574 493482525 /nfs/dbraw/zinc/48/25/25/493482525.db2.gz YTHHXZMMUZFJQH-CGTJXYLNSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000685344574 493482528 /nfs/dbraw/zinc/48/25/28/493482528.db2.gz YTHHXZMMUZFJQH-CGTJXYLNSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000685344574 493482530 /nfs/dbraw/zinc/48/25/30/493482530.db2.gz YTHHXZMMUZFJQH-CGTJXYLNSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344574 493482532 /nfs/dbraw/zinc/48/25/32/493482532.db2.gz YTHHXZMMUZFJQH-CGTJXYLNSA-N 2 2 374.485 0.337 20 0 FCADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685359165 493485681 /nfs/dbraw/zinc/48/56/81/493485681.db2.gz JBXCXPMUMZSNLP-INIZCTEOSA-N 2 2 361.490 0.895 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCN1CCc1c[nH+]cn1C ZINC000685418045 493489907 /nfs/dbraw/zinc/48/99/07/493489907.db2.gz BQMGNGNVLWGGIZ-GOSISDBHSA-N 3 2 373.505 0.013 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCN1CCc1c[nH+]cn1C ZINC000685418045 493489910 /nfs/dbraw/zinc/48/99/10/493489910.db2.gz BQMGNGNVLWGGIZ-GOSISDBHSA-N 3 2 373.505 0.013 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@H+](CCc2cncn2C)CCN1CCc1c[nH+]cn1C ZINC000685418045 493489912 /nfs/dbraw/zinc/48/99/12/493489912.db2.gz BQMGNGNVLWGGIZ-GOSISDBHSA-N 2 2 373.505 0.013 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@@H+](CCc2cncn2C)CCN1CCc1c[nH+]cn1C ZINC000685418045 493489914 /nfs/dbraw/zinc/48/99/14/493489914.db2.gz BQMGNGNVLWGGIZ-GOSISDBHSA-N 2 2 373.505 0.013 20 0 FCADLP CC(C)[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](O)C(F)(F)F ZINC000685413980 493490052 /nfs/dbraw/zinc/49/00/52/493490052.db2.gz WIMORBJLWDRCLJ-KBPBESRZSA-N 2 2 369.428 0.751 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444021 493492174 /nfs/dbraw/zinc/49/21/74/493492174.db2.gz PHJZUJSVYZPMLJ-WBVHZDCISA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444021 493492177 /nfs/dbraw/zinc/49/21/77/493492177.db2.gz PHJZUJSVYZPMLJ-WBVHZDCISA-N 2 2 364.490 0.076 20 0 FCADLP COC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685439100 493492307 /nfs/dbraw/zinc/49/23/07/493492307.db2.gz IUTSCTRONDPVIA-INIZCTEOSA-N 2 2 366.506 0.299 20 0 FCADLP COC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685439100 493492308 /nfs/dbraw/zinc/49/23/08/493492308.db2.gz IUTSCTRONDPVIA-INIZCTEOSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1occc1C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605280 493494450 /nfs/dbraw/zinc/49/44/50/493494450.db2.gz LIDIKRSATDKSPI-MRXNPFEDSA-N 2 2 362.474 0.945 20 0 FCADLP Cc1occc1C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605280 493494453 /nfs/dbraw/zinc/49/44/53/493494453.db2.gz LIDIKRSATDKSPI-MRXNPFEDSA-N 2 2 362.474 0.945 20 0 FCADLP O=C(C[N@@H+]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)CC1)N1CCCC1 ZINC000675720511 493499038 /nfs/dbraw/zinc/49/90/38/493499038.db2.gz WQNKASOHHRULNA-UHFFFAOYSA-N 2 2 374.489 0.448 20 0 FCADLP O=C(C[N@H+]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)CC1)N1CCCC1 ZINC000675720511 493499041 /nfs/dbraw/zinc/49/90/41/493499041.db2.gz WQNKASOHHRULNA-UHFFFAOYSA-N 2 2 374.489 0.448 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000685519522 493500841 /nfs/dbraw/zinc/50/08/41/493500841.db2.gz GHUUSEGTNIQNEY-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000685519522 493500842 /nfs/dbraw/zinc/50/08/42/493500842.db2.gz GHUUSEGTNIQNEY-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685564052 493503454 /nfs/dbraw/zinc/50/34/54/493503454.db2.gz MQLPNTVMYUKPRI-MAUKXSAKSA-N 2 2 357.458 0.571 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685564052 493503455 /nfs/dbraw/zinc/50/34/55/493503455.db2.gz MQLPNTVMYUKPRI-MAUKXSAKSA-N 2 2 357.458 0.571 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290810 493503763 /nfs/dbraw/zinc/50/37/63/493503763.db2.gz KVMMIIGCOJOPEO-DJIMGWMZSA-N 2 2 371.547 0.732 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 ZINC000662297188 493504371 /nfs/dbraw/zinc/50/43/71/493504371.db2.gz CVPDSRGOKAFMTR-OKILXGFUSA-N 2 2 369.425 0.880 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1 ZINC000662297188 493504373 /nfs/dbraw/zinc/50/43/73/493504373.db2.gz CVPDSRGOKAFMTR-OKILXGFUSA-N 2 2 369.425 0.880 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000669467863 493504932 /nfs/dbraw/zinc/50/49/32/493504932.db2.gz COYWRIDRYJDWEX-KGLIPLIRSA-N 2 2 353.417 0.828 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000669467863 493504936 /nfs/dbraw/zinc/50/49/36/493504936.db2.gz COYWRIDRYJDWEX-KGLIPLIRSA-N 2 2 353.417 0.828 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669491569 493507401 /nfs/dbraw/zinc/50/74/01/493507401.db2.gz DEAUFLPKANYDHG-DLBZAZTESA-N 2 2 363.506 0.182 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000669506074 493508469 /nfs/dbraw/zinc/50/84/69/493508469.db2.gz QWVALDYBFGKKQH-RRFJBIMHSA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[nH+]cn1 ZINC000669506074 493508473 /nfs/dbraw/zinc/50/84/73/493508473.db2.gz QWVALDYBFGKKQH-RRFJBIMHSA-N 2 2 359.478 0.881 20 0 FCADLP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000662464057 493518179 /nfs/dbraw/zinc/51/81/79/493518179.db2.gz CQMPSNHEGCDVKP-HOTGVXAUSA-N 2 2 354.495 0.047 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cnn1C ZINC000662543016 493524900 /nfs/dbraw/zinc/52/49/00/493524900.db2.gz QTMKSGNZIRZVMI-GVDBMIGSSA-N 2 2 371.489 0.280 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000662661974 493530123 /nfs/dbraw/zinc/53/01/23/493530123.db2.gz KSFMSQBTWHEPRO-QAPCUYQASA-N 2 2 361.442 0.466 20 0 FCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662704249 493533129 /nfs/dbraw/zinc/53/31/29/493533129.db2.gz XKUFUOZODZBQBU-KRWDZBQOSA-N 2 2 359.474 0.625 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662717273 493534208 /nfs/dbraw/zinc/53/42/08/493534208.db2.gz NBGWDTSZTGCBQR-AWEZNQCLSA-N 2 2 361.368 0.696 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676252699 493535763 /nfs/dbraw/zinc/53/57/63/493535763.db2.gz RWUDPSYOTFGWQC-GOEBONIOSA-N 2 2 363.462 0.641 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676252699 493535764 /nfs/dbraw/zinc/53/57/64/493535764.db2.gz RWUDPSYOTFGWQC-GOEBONIOSA-N 2 2 363.462 0.641 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cc(OC)c1 ZINC000662751588 493537609 /nfs/dbraw/zinc/53/76/09/493537609.db2.gz LPQYGCOTPDIWPV-ZWKOTPCHSA-N 2 2 363.458 0.712 20 0 FCADLP C[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000662751724 493537716 /nfs/dbraw/zinc/53/77/16/493537716.db2.gz DAYHBBCUOAGMNP-INMHGKMJSA-N 2 2 362.478 0.385 20 0 FCADLP C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676263826 493538281 /nfs/dbraw/zinc/53/82/81/493538281.db2.gz MPEYGDKORWONRP-LRDDRELGSA-N 2 2 363.462 0.688 20 0 FCADLP C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263826 493538284 /nfs/dbraw/zinc/53/82/84/493538284.db2.gz MPEYGDKORWONRP-LRDDRELGSA-N 2 2 363.462 0.688 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662834445 493545377 /nfs/dbraw/zinc/54/53/77/493545377.db2.gz UOYKSVOWWXGUHO-AWEZNQCLSA-N 2 2 353.385 0.336 20 0 FCADLP COC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC[NH2+]CC1 ZINC000662849767 493547106 /nfs/dbraw/zinc/54/71/06/493547106.db2.gz LKBFTMMSRDGXDR-MSOLQXFVSA-N 2 2 359.470 0.867 20 0 FCADLP COC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC[NH2+]CC1 ZINC000662849767 493547108 /nfs/dbraw/zinc/54/71/08/493547108.db2.gz LKBFTMMSRDGXDR-MSOLQXFVSA-N 2 2 359.470 0.867 20 0 FCADLP COCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000662901340 493550054 /nfs/dbraw/zinc/55/00/54/493550054.db2.gz VNNRYYXEWLSIBY-QGZVFWFLSA-N 3 2 352.523 0.630 20 0 FCADLP COCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH2+]CC1 ZINC000662901340 493550056 /nfs/dbraw/zinc/55/00/56/493550056.db2.gz VNNRYYXEWLSIBY-QGZVFWFLSA-N 3 2 352.523 0.630 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899143 493550182 /nfs/dbraw/zinc/55/01/82/493550182.db2.gz BXDLGWOZWFSPSQ-GOEBONIOSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899143 493550183 /nfs/dbraw/zinc/55/01/83/493550183.db2.gz BXDLGWOZWFSPSQ-GOEBONIOSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899145 493550191 /nfs/dbraw/zinc/55/01/91/493550191.db2.gz BXDLGWOZWFSPSQ-ZBFHGGJFSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899145 493550192 /nfs/dbraw/zinc/55/01/92/493550192.db2.gz BXDLGWOZWFSPSQ-ZBFHGGJFSA-N 3 2 360.506 0.727 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662943967 493557984 /nfs/dbraw/zinc/55/79/84/493557984.db2.gz GGWGKEZSRXDMCQ-SJORKVTESA-N 2 2 373.501 0.974 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423132 493564895 /nfs/dbraw/zinc/56/48/95/493564895.db2.gz OOCIAKMTGLUAJT-GOEBONIOSA-N 2 2 359.474 0.544 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423132 493564896 /nfs/dbraw/zinc/56/48/96/493564896.db2.gz OOCIAKMTGLUAJT-GOEBONIOSA-N 2 2 359.474 0.544 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670502273 493575055 /nfs/dbraw/zinc/57/50/55/493575055.db2.gz SYXVSGKIQGNPHV-HNNXBMFYSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670502273 493575058 /nfs/dbraw/zinc/57/50/58/493575058.db2.gz SYXVSGKIQGNPHV-HNNXBMFYSA-N 2 2 354.495 0.202 20 0 FCADLP NC(=O)C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000676891973 493577275 /nfs/dbraw/zinc/57/72/75/493577275.db2.gz NQIXWERDBMRLRK-INIZCTEOSA-N 2 2 374.485 0.332 20 0 FCADLP NC(=O)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000676891973 493577277 /nfs/dbraw/zinc/57/72/77/493577277.db2.gz NQIXWERDBMRLRK-INIZCTEOSA-N 2 2 374.485 0.332 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663558030 493597733 /nfs/dbraw/zinc/59/77/33/493597733.db2.gz GMVJWWXUBSBJSF-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663558030 493597734 /nfs/dbraw/zinc/59/77/34/493597734.db2.gz GMVJWWXUBSBJSF-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000663561930 493598792 /nfs/dbraw/zinc/59/87/92/493598792.db2.gz WELVRJGULYYMSR-RCCFBDPRSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000663561930 493598793 /nfs/dbraw/zinc/59/87/93/493598793.db2.gz WELVRJGULYYMSR-RCCFBDPRSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000663561930 493598794 /nfs/dbraw/zinc/59/87/94/493598794.db2.gz WELVRJGULYYMSR-RCCFBDPRSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000663561930 493598795 /nfs/dbraw/zinc/59/87/95/493598795.db2.gz WELVRJGULYYMSR-RCCFBDPRSA-N 2 2 369.554 0.667 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663613183 493604011 /nfs/dbraw/zinc/60/40/11/493604011.db2.gz CCXGLELWCDINNQ-LJQANCHMSA-N 2 2 359.474 0.241 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000670861492 493607635 /nfs/dbraw/zinc/60/76/35/493607635.db2.gz PJLSDXKHPRYHIV-CQSZACIVSA-N 2 2 364.515 0.957 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000670861492 493607637 /nfs/dbraw/zinc/60/76/37/493607637.db2.gz PJLSDXKHPRYHIV-CQSZACIVSA-N 2 2 364.515 0.957 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663639825 493609080 /nfs/dbraw/zinc/60/90/80/493609080.db2.gz YECQLTMMHZYFNP-BRWVUGGUSA-N 2 2 366.506 0.650 20 0 FCADLP COCC1([N@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000677725064 493613937 /nfs/dbraw/zinc/61/39/37/493613937.db2.gz AUQOIAOHVIEQLY-UHFFFAOYSA-N 2 2 373.461 0.123 20 0 FCADLP COCC1([N@@H+](C)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000677725064 493613938 /nfs/dbraw/zinc/61/39/38/493613938.db2.gz AUQOIAOHVIEQLY-UHFFFAOYSA-N 2 2 373.461 0.123 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c[nH+]1 ZINC000670978763 493618035 /nfs/dbraw/zinc/61/80/35/493618035.db2.gz KPKVFRKNKYAKRB-HNNXBMFYSA-N 2 2 356.430 0.824 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677902544 493623081 /nfs/dbraw/zinc/62/30/81/493623081.db2.gz GSVIDCHPSQLFDN-GOSISDBHSA-N 2 2 362.474 0.509 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677902544 493623082 /nfs/dbraw/zinc/62/30/82/493623082.db2.gz GSVIDCHPSQLFDN-GOSISDBHSA-N 2 2 362.474 0.509 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000677902105 493623096 /nfs/dbraw/zinc/62/30/96/493623096.db2.gz VXAJJRABMVYSRM-TVFCKZIOSA-N 2 2 367.538 0.373 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000677902105 493623097 /nfs/dbraw/zinc/62/30/97/493623097.db2.gz VXAJJRABMVYSRM-TVFCKZIOSA-N 2 2 367.538 0.373 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664027281 493631218 /nfs/dbraw/zinc/63/12/18/493631218.db2.gz YPOBYWKFULTHDR-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671100422 493633034 /nfs/dbraw/zinc/63/30/34/493633034.db2.gz IAHVDUMVMZBQPH-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671100422 493633035 /nfs/dbraw/zinc/63/30/35/493633035.db2.gz IAHVDUMVMZBQPH-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671104175 493634192 /nfs/dbraw/zinc/63/41/92/493634192.db2.gz HPMMFJZWJUSGBK-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671104175 493634194 /nfs/dbraw/zinc/63/41/94/493634194.db2.gz HPMMFJZWJUSGBK-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104175 493634197 /nfs/dbraw/zinc/63/41/97/493634197.db2.gz HPMMFJZWJUSGBK-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104175 493634198 /nfs/dbraw/zinc/63/41/98/493634198.db2.gz HPMMFJZWJUSGBK-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1cnnc1[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678112551 493635154 /nfs/dbraw/zinc/63/51/54/493635154.db2.gz WWJXRHDETQYZOQ-GDBMZVCRSA-N 2 2 361.494 0.830 20 0 FCADLP Cn1cnnc1[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678112551 493635157 /nfs/dbraw/zinc/63/51/57/493635157.db2.gz WWJXRHDETQYZOQ-GDBMZVCRSA-N 2 2 361.494 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107255 493635924 /nfs/dbraw/zinc/63/59/24/493635924.db2.gz MPTNSTJPXBMLNZ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107255 493635927 /nfs/dbraw/zinc/63/59/27/493635927.db2.gz MPTNSTJPXBMLNZ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107255 493635929 /nfs/dbraw/zinc/63/59/29/493635929.db2.gz MPTNSTJPXBMLNZ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107255 493635931 /nfs/dbraw/zinc/63/59/31/493635931.db2.gz MPTNSTJPXBMLNZ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000671116796 493637811 /nfs/dbraw/zinc/63/78/11/493637811.db2.gz PSKJYCXLXBXJSL-NVXWUHKLSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000671116796 493637813 /nfs/dbraw/zinc/63/78/13/493637813.db2.gz PSKJYCXLXBXJSL-NVXWUHKLSA-N 2 2 371.485 0.719 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000678446379 493644750 /nfs/dbraw/zinc/64/47/50/493644750.db2.gz HYDBWVQJYYVPDL-QAPCUYQASA-N 2 2 354.495 0.650 20 0 FCADLP CC(C)Nc1nc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)nc(NCCO)[nH+]1 ZINC000664241514 493646748 /nfs/dbraw/zinc/64/67/48/493646748.db2.gz FYKZNEAQCXFEPU-OLZOCXBDSA-N 2 2 353.471 0.617 20 0 FCADLP CC(C)Nc1nc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)nc(NCCO)[nH+]1 ZINC000664241514 493646749 /nfs/dbraw/zinc/64/67/49/493646749.db2.gz FYKZNEAQCXFEPU-OLZOCXBDSA-N 2 2 353.471 0.617 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671179885 493647070 /nfs/dbraw/zinc/64/70/70/493647070.db2.gz HXBWIDSKVQKUOM-GVDBMIGSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671179885 493647073 /nfs/dbraw/zinc/64/70/73/493647073.db2.gz HXBWIDSKVQKUOM-GVDBMIGSSA-N 2 2 364.490 0.053 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671337588 493656926 /nfs/dbraw/zinc/65/69/26/493656926.db2.gz ZCPWOOUCDKVYLM-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671337588 493656928 /nfs/dbraw/zinc/65/69/28/493656928.db2.gz ZCPWOOUCDKVYLM-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000671374286 493661869 /nfs/dbraw/zinc/66/18/69/493661869.db2.gz SDUIZALEARCRQW-GOSISDBHSA-N 2 2 374.485 0.516 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000671374286 493661870 /nfs/dbraw/zinc/66/18/70/493661870.db2.gz SDUIZALEARCRQW-GOSISDBHSA-N 2 2 374.485 0.516 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000671375888 493661901 /nfs/dbraw/zinc/66/19/01/493661901.db2.gz JJYJZWARDZFLHD-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[C@H]1C[N@H+](C)CCO1 ZINC000664489794 493662916 /nfs/dbraw/zinc/66/29/16/493662916.db2.gz YXSRNUUBUCZJOI-MJBXVCDLSA-N 2 2 353.467 0.498 20 0 FCADLP C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[C@H]1C[N@@H+](C)CCO1 ZINC000664489794 493662917 /nfs/dbraw/zinc/66/29/17/493662917.db2.gz YXSRNUUBUCZJOI-MJBXVCDLSA-N 2 2 353.467 0.498 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394987 493664660 /nfs/dbraw/zinc/66/46/60/493664660.db2.gz QPRYRIPNMWMOGK-MAUKXSAKSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394987 493664661 /nfs/dbraw/zinc/66/46/61/493664661.db2.gz QPRYRIPNMWMOGK-MAUKXSAKSA-N 2 2 358.486 0.917 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000671396587 493665534 /nfs/dbraw/zinc/66/55/34/493665534.db2.gz LZNSRBDAGXAJLQ-CRAIPNDOSA-N 2 2 356.470 0.671 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000671396587 493665535 /nfs/dbraw/zinc/66/55/35/493665535.db2.gz LZNSRBDAGXAJLQ-CRAIPNDOSA-N 2 2 356.470 0.671 20 0 FCADLP Cc1cnn([C@H]2[C@H](NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C[C@@H]2O)c1 ZINC000664540002 493666407 /nfs/dbraw/zinc/66/64/07/493666407.db2.gz SVZFSXDTLFFDOW-IKGGRYGDSA-N 2 2 364.494 0.191 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000664539540 493666776 /nfs/dbraw/zinc/66/67/76/493666776.db2.gz NJSIEOFIIMPSHW-MRXNPFEDSA-N 2 2 365.522 0.666 20 0 FCADLP CCOCCOC1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000679159446 493670517 /nfs/dbraw/zinc/67/05/17/493670517.db2.gz XISYYAZSLJJWLS-OAHLLOKOSA-N 2 2 354.495 0.602 20 0 FCADLP CCOCCOC1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000679159446 493670519 /nfs/dbraw/zinc/67/05/19/493670519.db2.gz XISYYAZSLJJWLS-OAHLLOKOSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506894 493684005 /nfs/dbraw/zinc/68/40/05/493684005.db2.gz OCEDZZOYGWSNDP-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506894 493684007 /nfs/dbraw/zinc/68/40/07/493684007.db2.gz OCEDZZOYGWSNDP-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000679508103 493684390 /nfs/dbraw/zinc/68/43/90/493684390.db2.gz PDCLMQATJOGJAR-ZIAGYGMSSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H](C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000680424268 493716234 /nfs/dbraw/zinc/71/62/34/493716234.db2.gz KCKOIYRQTWQZEE-INIZCTEOSA-N 2 2 373.501 0.649 20 0 FCADLP CN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680508155 493720702 /nfs/dbraw/zinc/72/07/02/493720702.db2.gz LRGNGEMCOWSGNJ-YPMHNXCESA-N 2 2 352.401 0.720 20 0 FCADLP CN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680508155 493720704 /nfs/dbraw/zinc/72/07/04/493720704.db2.gz LRGNGEMCOWSGNJ-YPMHNXCESA-N 2 2 352.401 0.720 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672010162 493724206 /nfs/dbraw/zinc/72/42/06/493724206.db2.gz AZEUIEAPWIMVCK-RDJZCZTQSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000672012389 493724615 /nfs/dbraw/zinc/72/46/15/493724615.db2.gz RNEZTYXATFECEC-VYDXJSESSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000672014087 493724875 /nfs/dbraw/zinc/72/48/75/493724875.db2.gz KCMLRAPODVTRKX-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877653 493734162 /nfs/dbraw/zinc/73/41/62/493734162.db2.gz LPJCXOIKFOUSTN-FUHWJXTLSA-N 2 2 368.522 0.632 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877653 493734164 /nfs/dbraw/zinc/73/41/64/493734164.db2.gz LPJCXOIKFOUSTN-FUHWJXTLSA-N 2 2 368.522 0.632 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218317 493751827 /nfs/dbraw/zinc/75/18/27/493751827.db2.gz KTGMBLPJMZIOGU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218317 493751828 /nfs/dbraw/zinc/75/18/28/493751828.db2.gz KTGMBLPJMZIOGU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nncn1C ZINC000672427582 493766367 /nfs/dbraw/zinc/76/63/67/493766367.db2.gz PQNHJPGKKDFESU-HOCLYGCPSA-N 2 2 363.510 0.980 20 0 FCADLP CC(C)[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nncn1C ZINC000672427582 493766370 /nfs/dbraw/zinc/76/63/70/493766370.db2.gz PQNHJPGKKDFESU-HOCLYGCPSA-N 2 2 363.510 0.980 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3[C@H]3CCCO3)C2)CC1 ZINC000672427643 493767615 /nfs/dbraw/zinc/76/76/15/493767615.db2.gz WIXGCNRSBKYTQG-RYQLBKOJSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@H]3[C@H]3CCCO3)C2)CC1 ZINC000672427643 493767618 /nfs/dbraw/zinc/76/76/18/493767618.db2.gz WIXGCNRSBKYTQG-RYQLBKOJSA-N 2 2 366.506 0.744 20 0 FCADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000414073842 533762298 /nfs/dbraw/zinc/76/22/98/533762298.db2.gz GASNGMVPMXIHLR-NVXWUHKLSA-N 2 2 362.474 0.544 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000413070854 533936306 /nfs/dbraw/zinc/93/63/06/533936306.db2.gz IVGUPLNNNAALAR-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000409448739 534227073 /nfs/dbraw/zinc/22/70/73/534227073.db2.gz HJQFJULPCDAUEL-CALCHBBNSA-N 2 2 360.568 0.758 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000409448739 534227075 /nfs/dbraw/zinc/22/70/75/534227075.db2.gz HJQFJULPCDAUEL-CALCHBBNSA-N 2 2 360.568 0.758 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423583320 536459962 /nfs/dbraw/zinc/45/99/62/536459962.db2.gz AKTCWBMFZLQWIN-AEFFLSMTSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423583320 536459964 /nfs/dbraw/zinc/45/99/64/536459964.db2.gz AKTCWBMFZLQWIN-AEFFLSMTSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423583327 536460075 /nfs/dbraw/zinc/46/00/75/536460075.db2.gz AKTCWBMFZLQWIN-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423583327 536460077 /nfs/dbraw/zinc/46/00/77/536460077.db2.gz AKTCWBMFZLQWIN-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@@H+]1C ZINC000410939230 527819600 /nfs/dbraw/zinc/81/96/00/527819600.db2.gz RUZSBAIJOZMYLB-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC[N@H+]1C ZINC000410939230 527819609 /nfs/dbraw/zinc/81/96/09/527819609.db2.gz RUZSBAIJOZMYLB-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000410939230 527819616 /nfs/dbraw/zinc/81/96/16/527819616.db2.gz RUZSBAIJOZMYLB-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC[NH+]1C ZINC000410939230 527819618 /nfs/dbraw/zinc/81/96/18/527819618.db2.gz RUZSBAIJOZMYLB-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000410843323 527823304 /nfs/dbraw/zinc/82/33/04/527823304.db2.gz MRNVPOFRTYASAZ-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000410843323 527823309 /nfs/dbraw/zinc/82/33/09/527823309.db2.gz MRNVPOFRTYASAZ-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000410843323 527823312 /nfs/dbraw/zinc/82/33/12/527823312.db2.gz MRNVPOFRTYASAZ-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000410843323 527823317 /nfs/dbraw/zinc/82/33/17/527823317.db2.gz MRNVPOFRTYASAZ-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000410892594 527841364 /nfs/dbraw/zinc/84/13/64/527841364.db2.gz WQOFBPQXQKPMRU-IAGOWNOFSA-N 2 2 368.522 0.356 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000410892594 527841369 /nfs/dbraw/zinc/84/13/69/527841369.db2.gz WQOFBPQXQKPMRU-IAGOWNOFSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000410442385 527955917 /nfs/dbraw/zinc/95/59/17/527955917.db2.gz ZUVHRINKBABCLQ-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000410713015 527957740 /nfs/dbraw/zinc/95/77/40/527957740.db2.gz HJABGZLESNYJKA-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000410713015 527957745 /nfs/dbraw/zinc/95/77/45/527957745.db2.gz HJABGZLESNYJKA-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000410717244 527957948 /nfs/dbraw/zinc/95/79/48/527957948.db2.gz UOHPKLQITKSSPI-QGZVFWFLSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000410717244 527957950 /nfs/dbraw/zinc/95/79/50/527957950.db2.gz UOHPKLQITKSSPI-QGZVFWFLSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410695927 528739643 /nfs/dbraw/zinc/73/96/43/528739643.db2.gz GSYHENKXYUWGGS-SJORKVTESA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410695927 528739650 /nfs/dbraw/zinc/73/96/50/528739650.db2.gz GSYHENKXYUWGGS-SJORKVTESA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000186862926 529003933 /nfs/dbraw/zinc/00/39/33/529003933.db2.gz SJDOGWQOYNXEAF-KRWDZBQOSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000186862926 529003938 /nfs/dbraw/zinc/00/39/38/529003938.db2.gz SJDOGWQOYNXEAF-KRWDZBQOSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000263238693 529038589 /nfs/dbraw/zinc/03/85/89/529038589.db2.gz KIWPRZXUYRNRHL-DYVFJYSZSA-N 2 2 363.462 0.022 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018328 529058178 /nfs/dbraw/zinc/05/81/78/529058178.db2.gz CZNIYVQRNLQGGA-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018328 529058181 /nfs/dbraw/zinc/05/81/81/529058181.db2.gz CZNIYVQRNLQGGA-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018328 529058184 /nfs/dbraw/zinc/05/81/84/529058184.db2.gz CZNIYVQRNLQGGA-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018328 529058187 /nfs/dbraw/zinc/05/81/87/529058187.db2.gz CZNIYVQRNLQGGA-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000410479076 529352498 /nfs/dbraw/zinc/35/24/98/529352498.db2.gz RDAVSZHKXJXQHS-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000410479076 529352501 /nfs/dbraw/zinc/35/25/01/529352501.db2.gz RDAVSZHKXJXQHS-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419116284 534992118 /nfs/dbraw/zinc/99/21/18/534992118.db2.gz LJBHSOCZPFQTBE-OAGGEKHMSA-N 2 2 354.495 0.188 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423676780 535591392 /nfs/dbraw/zinc/59/13/92/535591392.db2.gz GQIYWVODRBKHAR-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423558859 535602862 /nfs/dbraw/zinc/60/28/62/535602862.db2.gz LMURRUKZNLEGQF-LSDHHAIUSA-N 2 2 364.494 0.447 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000423545995 535604661 /nfs/dbraw/zinc/60/46/61/535604661.db2.gz BJSCXBARQQEMAT-FZKCQIBNSA-N 2 2 374.489 0.201 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000424557197 536003167 /nfs/dbraw/zinc/00/31/67/536003167.db2.gz VJGFURJLZPWOKC-OAHLLOKOSA-N 2 2 368.428 0.725 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435629780 536116035 /nfs/dbraw/zinc/11/60/35/536116035.db2.gz YKNQUHLHEILWJL-HNNXBMFYSA-N 2 2 368.503 0.949 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435629780 536116040 /nfs/dbraw/zinc/11/60/40/536116040.db2.gz YKNQUHLHEILWJL-HNNXBMFYSA-N 2 2 368.503 0.949 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)n1C ZINC000419737394 536161138 /nfs/dbraw/zinc/16/11/38/536161138.db2.gz XYMBRMXQDPFEOL-UHFFFAOYSA-N 2 2 373.429 0.832 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000423340800 536340770 /nfs/dbraw/zinc/34/07/70/536340770.db2.gz XKDHHQBPILKBMU-HNNXBMFYSA-N 2 2 355.385 0.936 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419943129 536449713 /nfs/dbraw/zinc/44/97/13/536449713.db2.gz GWCUNCNTBGGORQ-KGLIPLIRSA-N 2 2 363.462 0.099 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000425410191 536487147 /nfs/dbraw/zinc/48/71/47/536487147.db2.gz ZSALTRGPFCMMSH-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000425410191 536487149 /nfs/dbraw/zinc/48/71/49/536487149.db2.gz ZSALTRGPFCMMSH-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420383152 536837760 /nfs/dbraw/zinc/83/77/60/536837760.db2.gz FERDZYCGJIGEBT-HOCLYGCPSA-N 2 2 365.474 0.801 20 0 FCADLP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420383152 536837766 /nfs/dbraw/zinc/83/77/66/536837766.db2.gz FERDZYCGJIGEBT-HOCLYGCPSA-N 2 2 365.474 0.801 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000078745176 546522170 /nfs/dbraw/zinc/52/21/70/546522170.db2.gz TZWWEWUGSHIXSX-AWEZNQCLSA-N 2 2 368.503 0.189 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000363476535 546529504 /nfs/dbraw/zinc/52/95/04/546529504.db2.gz KEJHTNFYUHNKTP-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000363476533 546529558 /nfs/dbraw/zinc/52/95/58/546529558.db2.gz KEJHTNFYUHNKTP-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733985 546747519 /nfs/dbraw/zinc/74/75/19/546747519.db2.gz QJCGIEPAOJBUEA-JSGCOSHPSA-N 2 2 351.451 0.985 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733985 546747521 /nfs/dbraw/zinc/74/75/21/546747521.db2.gz QJCGIEPAOJBUEA-JSGCOSHPSA-N 2 2 351.451 0.985 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371304977 546894149 /nfs/dbraw/zinc/89/41/49/546894149.db2.gz WKGSCZWAUCRUDX-HUUCEWRRSA-N 2 2 353.511 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371304977 546894156 /nfs/dbraw/zinc/89/41/56/546894156.db2.gz WKGSCZWAUCRUDX-HUUCEWRRSA-N 2 2 353.511 0.569 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000152644390 546920424 /nfs/dbraw/zinc/92/04/24/546920424.db2.gz ZEDIQESSVCKHBR-GVDBMIGSSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000152644390 546920429 /nfs/dbraw/zinc/92/04/29/546920429.db2.gz ZEDIQESSVCKHBR-GVDBMIGSSA-N 2 2 354.495 0.459 20 0 FCADLP CS[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459987000 546931006 /nfs/dbraw/zinc/93/10/06/546931006.db2.gz HCTQLBRWNQPDEE-HNNXBMFYSA-N 2 2 356.536 0.435 20 0 FCADLP CS[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459987000 546931012 /nfs/dbraw/zinc/93/10/12/546931012.db2.gz HCTQLBRWNQPDEE-HNNXBMFYSA-N 2 2 356.536 0.435 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3[NH2+]CC3(C)C)c2)CC1 ZINC000649308062 547072823 /nfs/dbraw/zinc/07/28/23/547072823.db2.gz GZSMPCGNFUZJJG-OAHLLOKOSA-N 2 2 366.487 0.559 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)CC1 ZINC000649308168 547073274 /nfs/dbraw/zinc/07/32/74/547073274.db2.gz PNDYQVWZAKRTJG-WQVCFCJDSA-N 2 2 364.471 0.312 20 0 FCADLP CC(=O)NC1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000550648341 547092650 /nfs/dbraw/zinc/09/26/50/547092650.db2.gz VYZCEYOZOIGDOO-UHFFFAOYSA-N 2 2 353.511 0.759 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000551070061 547123845 /nfs/dbraw/zinc/12/38/45/547123845.db2.gz RMOINUNQCSPZRP-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000551070061 547123848 /nfs/dbraw/zinc/12/38/48/547123848.db2.gz RMOINUNQCSPZRP-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000551267580 547138036 /nfs/dbraw/zinc/13/80/36/547138036.db2.gz DMUNVVPTGXTRHN-CVEARBPZSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552958716 547242968 /nfs/dbraw/zinc/24/29/68/547242968.db2.gz ZUOIWCPOCZHUQJ-QKPAOTATSA-N 2 2 351.495 0.776 20 0 FCADLP CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552958716 547242971 /nfs/dbraw/zinc/24/29/71/547242971.db2.gz ZUOIWCPOCZHUQJ-QKPAOTATSA-N 2 2 351.495 0.776 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553024996 547248022 /nfs/dbraw/zinc/24/80/22/547248022.db2.gz PHUZAPPHMDRBMY-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553024996 547248029 /nfs/dbraw/zinc/24/80/29/547248029.db2.gz PHUZAPPHMDRBMY-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCNc1nc(NC[C@H](C)N2CC[NH+](C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553052293 547249008 /nfs/dbraw/zinc/24/90/08/547249008.db2.gz MXMGEBOYVLPABH-ZDUSSCGKSA-N 2 2 350.515 0.405 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553279138 547266362 /nfs/dbraw/zinc/26/63/62/547266362.db2.gz NRPUBGPPQGKCIE-CVEARBPZSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553279138 547266365 /nfs/dbraw/zinc/26/63/65/547266365.db2.gz NRPUBGPPQGKCIE-CVEARBPZSA-N 2 2 354.495 0.155 20 0 FCADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000553473585 547282406 /nfs/dbraw/zinc/28/24/06/547282406.db2.gz BZEVKSXMRVLBAX-UHFFFAOYSA-N 2 2 352.479 0.986 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553615229 547293683 /nfs/dbraw/zinc/29/36/83/547293683.db2.gz GBTWPKXZIGCIOW-JKSUJKDBSA-N 2 2 356.511 0.402 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553619647 547294733 /nfs/dbraw/zinc/29/47/33/547294733.db2.gz ZBAPBCJRJPMGMX-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(NC1CC[NH+](CC2CC2)CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000489701802 547388319 /nfs/dbraw/zinc/38/83/19/547388319.db2.gz AJNWPYHVISKQAJ-UHFFFAOYSA-N 2 2 354.495 0.197 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000189550380 674380423 /nfs/dbraw/zinc/38/04/23/674380423.db2.gz ATFGTUBRCRVCEH-UHFFFAOYSA-N 2 2 362.540 0.479 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000950368090 674426140 /nfs/dbraw/zinc/42/61/40/674426140.db2.gz WLEOYIJTASETLV-JKSUJKDBSA-N 2 2 351.495 0.275 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCN3CCNC3=O)C2)CC[N@H+]1C ZINC000950368090 674426142 /nfs/dbraw/zinc/42/61/42/674426142.db2.gz WLEOYIJTASETLV-JKSUJKDBSA-N 2 2 351.495 0.275 20 0 FCADLP COCCC[NH+]1CCC([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000736980837 598397326 /nfs/dbraw/zinc/39/73/26/598397326.db2.gz FGKQHEQPQVKNED-UHFFFAOYSA-N 2 2 371.449 0.500 20 0 FCADLP C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCCC[C@H]1C ZINC000736266069 598521067 /nfs/dbraw/zinc/52/10/67/598521067.db2.gz FGBOLGVEVHRBJG-RDBSUJKOSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCCC[C@H]1C ZINC000736266069 598521070 /nfs/dbraw/zinc/52/10/70/598521070.db2.gz FGBOLGVEVHRBJG-RDBSUJKOSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736247714 598531590 /nfs/dbraw/zinc/53/15/90/598531590.db2.gz GUVADPWZLHIGSM-HZSPNIEDSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736247714 598531592 /nfs/dbraw/zinc/53/15/92/598531592.db2.gz GUVADPWZLHIGSM-HZSPNIEDSA-N 2 2 359.482 0.957 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859751 598717454 /nfs/dbraw/zinc/71/74/54/598717454.db2.gz ISUDZZSGSSFSFS-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736859751 598717456 /nfs/dbraw/zinc/71/74/56/598717456.db2.gz ISUDZZSGSSFSFS-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cn2)CC1 ZINC000821628493 599401020 /nfs/dbraw/zinc/40/10/20/599401020.db2.gz JTNIZPUNJXZJLT-UHFFFAOYSA-N 2 2 354.418 0.896 20 0 FCADLP c1sc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000823821477 606220970 /nfs/dbraw/zinc/22/09/70/606220970.db2.gz UNYLUCDOECNHIB-CQSZACIVSA-N 2 2 363.491 0.424 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821575729 606418840 /nfs/dbraw/zinc/41/88/40/606418840.db2.gz NHAPWYAUUKTCFD-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821600614 606899815 /nfs/dbraw/zinc/89/98/15/606899815.db2.gz VJAOZSAZGVVTLL-QGZVFWFLSA-N 2 2 360.462 0.679 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821600614 606899816 /nfs/dbraw/zinc/89/98/16/606899816.db2.gz VJAOZSAZGVVTLL-QGZVFWFLSA-N 2 2 360.462 0.679 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)CC1 ZINC000826034453 608684527 /nfs/dbraw/zinc/68/45/27/608684527.db2.gz RBTOYIRYMFNYPS-UHFFFAOYSA-N 2 2 373.461 0.836 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000899231686 665933177 /nfs/dbraw/zinc/93/31/77/665933177.db2.gz XBYWNZAMFXVRGU-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231686 665933180 /nfs/dbraw/zinc/93/31/80/665933180.db2.gz XBYWNZAMFXVRGU-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231686 665933182 /nfs/dbraw/zinc/93/31/82/665933182.db2.gz XBYWNZAMFXVRGU-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP CCc1nocc1C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958593 663211067 /nfs/dbraw/zinc/21/10/67/663211067.db2.gz LXZZUOKFSYEJFA-IIYDPXPESA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958593 663211069 /nfs/dbraw/zinc/21/10/69/663211069.db2.gz LXZZUOKFSYEJFA-IIYDPXPESA-N 2 2 350.463 0.893 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000891230789 663333640 /nfs/dbraw/zinc/33/36/40/663333640.db2.gz NSXHUDZFFHSCDK-VNQPRFMTSA-N 2 2 352.479 0.605 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000891230789 663333642 /nfs/dbraw/zinc/33/36/42/663333642.db2.gz NSXHUDZFFHSCDK-VNQPRFMTSA-N 2 2 352.479 0.605 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000325797088 663333693 /nfs/dbraw/zinc/33/36/93/663333693.db2.gz HOXRLQLWDWLJEO-BFYDXBDKSA-N 2 2 354.472 0.576 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000325797088 663333695 /nfs/dbraw/zinc/33/36/95/663333695.db2.gz HOXRLQLWDWLJEO-BFYDXBDKSA-N 2 2 354.472 0.576 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCO1 ZINC000891472643 663408323 /nfs/dbraw/zinc/40/83/23/663408323.db2.gz OFBMQNPMDPATIN-RYUDHWBXSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCO1 ZINC000891472643 663408325 /nfs/dbraw/zinc/40/83/25/663408325.db2.gz OFBMQNPMDPATIN-RYUDHWBXSA-N 2 2 352.401 0.876 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000891515297 663411178 /nfs/dbraw/zinc/41/11/78/663411178.db2.gz AKJKMQPZGPRIQC-RNJOBUHISA-N 2 2 352.401 0.874 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559638 663415592 /nfs/dbraw/zinc/41/55/92/663415592.db2.gz GSYOXMXGXLXXMB-KGLIPLIRSA-N 3 2 359.465 0.699 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559638 663415594 /nfs/dbraw/zinc/41/55/94/663415594.db2.gz GSYOXMXGXLXXMB-KGLIPLIRSA-N 3 2 359.465 0.699 20 0 FCADLP COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782229 663428566 /nfs/dbraw/zinc/42/85/66/663428566.db2.gz QEJNFVHVMUJRGE-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782229 663428567 /nfs/dbraw/zinc/42/85/67/663428567.db2.gz QEJNFVHVMUJRGE-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782229 663428569 /nfs/dbraw/zinc/42/85/69/663428569.db2.gz QEJNFVHVMUJRGE-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782229 663428570 /nfs/dbraw/zinc/42/85/70/663428570.db2.gz QEJNFVHVMUJRGE-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001022736140 663506972 /nfs/dbraw/zinc/50/69/72/663506972.db2.gz OKEDVWJBKZRXBT-VQJWOFKYSA-N 2 2 366.487 0.195 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000899991217 665971200 /nfs/dbraw/zinc/97/12/00/665971200.db2.gz DCXIPPUOYWLNRJ-UHFFFAOYSA-N 2 2 352.523 0.631 20 0 FCADLP CN1CC[NH+](CCCNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000899991217 665971203 /nfs/dbraw/zinc/97/12/03/665971203.db2.gz DCXIPPUOYWLNRJ-UHFFFAOYSA-N 2 2 352.523 0.631 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451535 663628443 /nfs/dbraw/zinc/62/84/43/663628443.db2.gz PEFDMBHUYWTURD-XNRPHZJLSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451535 663628447 /nfs/dbraw/zinc/62/84/47/663628447.db2.gz PEFDMBHUYWTURD-XNRPHZJLSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451535 663628449 /nfs/dbraw/zinc/62/84/49/663628449.db2.gz PEFDMBHUYWTURD-XNRPHZJLSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451535 663628452 /nfs/dbraw/zinc/62/84/52/663628452.db2.gz PEFDMBHUYWTURD-XNRPHZJLSA-N 2 2 351.451 0.425 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CCO1 ZINC000892606087 664047469 /nfs/dbraw/zinc/04/74/69/664047469.db2.gz XKPBQSFOGRAQAU-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CCO1 ZINC000892606087 664047473 /nfs/dbraw/zinc/04/74/73/664047473.db2.gz XKPBQSFOGRAQAU-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892606087 664047477 /nfs/dbraw/zinc/04/74/77/664047477.db2.gz XKPBQSFOGRAQAU-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCO1 ZINC000892606087 664047480 /nfs/dbraw/zinc/04/74/80/664047480.db2.gz XKPBQSFOGRAQAU-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3csnn3)CC2)O1 ZINC001026514757 664239983 /nfs/dbraw/zinc/23/99/83/664239983.db2.gz QXEUKNUBXOTTNQ-XZNOPERXSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3csnn3)CC2)O1 ZINC001026514757 664239986 /nfs/dbraw/zinc/23/99/86/664239986.db2.gz QXEUKNUBXOTTNQ-XZNOPERXSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@]1(Br)C[C@H]1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000893355449 664249345 /nfs/dbraw/zinc/24/93/45/664249345.db2.gz ZILRXJLOMGXWSE-GUTXKFCHSA-N 2 2 360.296 0.683 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nncs2)O1 ZINC000960045219 674614131 /nfs/dbraw/zinc/61/41/31/674614131.db2.gz ZFYQCBWKNPFOCP-HZSPNIEDSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2nncs2)O1 ZINC000960045219 674614135 /nfs/dbraw/zinc/61/41/35/674614135.db2.gz ZFYQCBWKNPFOCP-HZSPNIEDSA-N 2 2 353.492 0.728 20 0 FCADLP C[N@H+](CCF)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501724 664418790 /nfs/dbraw/zinc/41/87/90/664418790.db2.gz FRPQLMKHIAHOHH-ZACQAIPSSA-N 2 2 357.470 0.759 20 0 FCADLP C[N@@H+](CCF)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501724 664418793 /nfs/dbraw/zinc/41/87/93/664418793.db2.gz FRPQLMKHIAHOHH-ZACQAIPSSA-N 2 2 357.470 0.759 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043277 664816538 /nfs/dbraw/zinc/81/65/38/664816538.db2.gz KOWGYQIYRFGPDZ-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043277 664816540 /nfs/dbraw/zinc/81/65/40/664816540.db2.gz KOWGYQIYRFGPDZ-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+]1CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043088 664816642 /nfs/dbraw/zinc/81/66/42/664816642.db2.gz GENYIVWZLSATCR-ZACQAIPSSA-N 2 2 357.470 0.806 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+]1CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043088 664816644 /nfs/dbraw/zinc/81/66/44/664816644.db2.gz GENYIVWZLSATCR-ZACQAIPSSA-N 2 2 357.470 0.806 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001028550560 664901701 /nfs/dbraw/zinc/90/17/01/664901701.db2.gz QPQLAJBURZFHTB-QLFBSQMISA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001028550560 664901703 /nfs/dbraw/zinc/90/17/03/664901703.db2.gz QPQLAJBURZFHTB-QLFBSQMISA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028550560 664901704 /nfs/dbraw/zinc/90/17/04/664901704.db2.gz QPQLAJBURZFHTB-QLFBSQMISA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028550560 664901706 /nfs/dbraw/zinc/90/17/06/664901706.db2.gz QPQLAJBURZFHTB-QLFBSQMISA-N 2 2 352.458 0.526 20 0 FCADLP CCc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629797 664930815 /nfs/dbraw/zinc/93/08/15/664930815.db2.gz SUDXYXAPHUZHHJ-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629797 664930816 /nfs/dbraw/zinc/93/08/16/664930816.db2.gz SUDXYXAPHUZHHJ-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629797 664930817 /nfs/dbraw/zinc/93/08/17/664930817.db2.gz SUDXYXAPHUZHHJ-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629797 664930818 /nfs/dbraw/zinc/93/08/18/664930818.db2.gz SUDXYXAPHUZHHJ-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001028629342 664931235 /nfs/dbraw/zinc/93/12/35/664931235.db2.gz JTFOEEOSRVQHHL-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001028629342 664931237 /nfs/dbraw/zinc/93/12/37/664931237.db2.gz JTFOEEOSRVQHHL-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)O1 ZINC001028629342 664931239 /nfs/dbraw/zinc/93/12/39/664931239.db2.gz JTFOEEOSRVQHHL-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)O1 ZINC001028629342 664931240 /nfs/dbraw/zinc/93/12/40/664931240.db2.gz JTFOEEOSRVQHHL-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957733 664961733 /nfs/dbraw/zinc/96/17/33/664961733.db2.gz AHGYUBBALQMIMD-LSDHHAIUSA-N 2 2 353.488 0.694 20 0 FCADLP O=C(CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957733 664961735 /nfs/dbraw/zinc/96/17/35/664961735.db2.gz AHGYUBBALQMIMD-LSDHHAIUSA-N 2 2 353.488 0.694 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984017110 665013944 /nfs/dbraw/zinc/01/39/44/665013944.db2.gz XXQOPQBMBYGBPF-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984017110 665013950 /nfs/dbraw/zinc/01/39/50/665013950.db2.gz XXQOPQBMBYGBPF-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326479 665081000 /nfs/dbraw/zinc/08/10/00/665081000.db2.gz ZISJQAXGFPHWRZ-MRXNPFEDSA-N 3 2 350.507 0.382 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326479 665081004 /nfs/dbraw/zinc/08/10/04/665081004.db2.gz ZISJQAXGFPHWRZ-MRXNPFEDSA-N 3 2 350.507 0.382 20 0 FCADLP COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905330212 666019291 /nfs/dbraw/zinc/01/92/91/666019291.db2.gz PVRCREPHDMXXIC-OAHLLOKOSA-N 2 2 357.476 0.337 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905332969 666019649 /nfs/dbraw/zinc/01/96/49/666019649.db2.gz RFRXETWBPMAYDJ-UHFFFAOYSA-N 2 2 374.551 0.192 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905332969 666019651 /nfs/dbraw/zinc/01/96/51/666019651.db2.gz RFRXETWBPMAYDJ-UHFFFAOYSA-N 2 2 374.551 0.192 20 0 FCADLP [NH3+]C1(CNS(=O)(=O)CCC[NH+]2CCOCC2)C2CC3CC(C2)CC1C3 ZINC000905362336 666021665 /nfs/dbraw/zinc/02/16/65/666021665.db2.gz QTMKCRGSNGQTIA-UHFFFAOYSA-N 2 2 371.547 0.782 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000907515700 666140656 /nfs/dbraw/zinc/14/06/56/666140656.db2.gz CLYOGPYLQXLHAR-ZWKOTPCHSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000907515700 666140657 /nfs/dbraw/zinc/14/06/57/666140657.db2.gz CLYOGPYLQXLHAR-ZWKOTPCHSA-N 2 2 354.539 0.706 20 0 FCADLP O=C(NC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961311160 674753674 /nfs/dbraw/zinc/75/36/74/674753674.db2.gz HYTCLAFQHUZUTD-QJALEVJYSA-N 2 2 369.893 0.665 20 0 FCADLP O=C(NC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961311160 674753675 /nfs/dbraw/zinc/75/36/75/674753675.db2.gz HYTCLAFQHUZUTD-QJALEVJYSA-N 2 2 369.893 0.665 20 0 FCADLP CC(C)[C@H](CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)[NH+]1CCOCC1 ZINC000913884088 666663229 /nfs/dbraw/zinc/66/32/29/666663229.db2.gz JQFQIOCCMKOOJM-IRXDYDNUSA-N 2 2 359.536 0.749 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000731650638 666829052 /nfs/dbraw/zinc/82/90/52/666829052.db2.gz KEUAXIVUEYRMNK-UHFFFAOYSA-N 2 2 359.536 0.878 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731758241 666838017 /nfs/dbraw/zinc/83/80/17/666838017.db2.gz OCJKVLKFNCXEEA-UHFFFAOYSA-N 2 2 360.524 0.136 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC3(C)OCCO3)CC2)CC1 ZINC000185618819 666870810 /nfs/dbraw/zinc/87/08/10/666870810.db2.gz AXPGXCMSEKXFFO-UHFFFAOYSA-N 2 2 354.495 0.997 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCO[C@@H]3CCOC3)CC2)CC1 ZINC000915501057 666872939 /nfs/dbraw/zinc/87/29/39/666872939.db2.gz YIPVBTREKUCSRD-QGZVFWFLSA-N 2 2 354.495 0.650 20 0 FCADLP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959625 666897160 /nfs/dbraw/zinc/89/71/60/666897160.db2.gz QTKAYNDRACBERD-DFBGVHRSSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nonc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959625 666897164 /nfs/dbraw/zinc/89/71/64/666897164.db2.gz QTKAYNDRACBERD-DFBGVHRSSA-N 2 2 351.451 0.424 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286920 666903504 /nfs/dbraw/zinc/90/35/04/666903504.db2.gz QTDWYZZCOHOVID-AAEUAGOBSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286920 666903506 /nfs/dbraw/zinc/90/35/06/666903506.db2.gz QTDWYZZCOHOVID-AAEUAGOBSA-N 2 2 352.401 0.767 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224708 667064852 /nfs/dbraw/zinc/06/48/52/667064852.db2.gz SRMYHDLISKNARC-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000917224708 667064855 /nfs/dbraw/zinc/06/48/55/667064855.db2.gz SRMYHDLISKNARC-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905987 667140434 /nfs/dbraw/zinc/14/04/34/667140434.db2.gz KLHGZDIMZNLDDJ-HUUCEWRRSA-N 2 2 352.479 0.750 20 0 FCADLP CCOC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905987 667140437 /nfs/dbraw/zinc/14/04/37/667140437.db2.gz KLHGZDIMZNLDDJ-HUUCEWRRSA-N 2 2 352.479 0.750 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3nncs3)CC2)O1 ZINC000997858529 667178016 /nfs/dbraw/zinc/17/80/16/667178016.db2.gz GJRGMBYKRJYHNN-TZMCWYRMSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3nncs3)CC2)O1 ZINC000997858529 667178019 /nfs/dbraw/zinc/17/80/19/667178019.db2.gz GJRGMBYKRJYHNN-TZMCWYRMSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681582 667264330 /nfs/dbraw/zinc/26/43/30/667264330.db2.gz ZIXFFZAJDZQKGQ-CKEIUWERSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681582 667264337 /nfs/dbraw/zinc/26/43/37/667264337.db2.gz ZIXFFZAJDZQKGQ-CKEIUWERSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000921201448 667270943 /nfs/dbraw/zinc/27/09/43/667270943.db2.gz FCJWMABAGSZAJX-CKEIUWERSA-N 2 2 354.495 0.186 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000737045632 667560089 /nfs/dbraw/zinc/56/00/89/667560089.db2.gz ZZCNCESUHGVADK-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000737045632 667560091 /nfs/dbraw/zinc/56/00/91/667560091.db2.gz ZZCNCESUHGVADK-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185765 667713586 /nfs/dbraw/zinc/71/35/86/667713586.db2.gz QAJYXCSOFUUUBI-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185765 667713589 /nfs/dbraw/zinc/71/35/89/667713589.db2.gz QAJYXCSOFUUUBI-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185765 667713590 /nfs/dbraw/zinc/71/35/90/667713590.db2.gz QAJYXCSOFUUUBI-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185765 667713594 /nfs/dbraw/zinc/71/35/94/667713594.db2.gz QAJYXCSOFUUUBI-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684944 667731842 /nfs/dbraw/zinc/73/18/42/667731842.db2.gz HQIKMIZOQQUCRD-BBRMVZONSA-N 2 2 372.535 0.277 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684944 667731847 /nfs/dbraw/zinc/73/18/47/667731847.db2.gz HQIKMIZOQQUCRD-BBRMVZONSA-N 2 2 372.535 0.277 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)O1 ZINC001034675615 667763884 /nfs/dbraw/zinc/76/38/84/667763884.db2.gz QXEUKNUBXOTTNQ-RGCMKSIDSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csnn3)CC2)O1 ZINC001034675615 667763888 /nfs/dbraw/zinc/76/38/88/667763888.db2.gz QXEUKNUBXOTTNQ-RGCMKSIDSA-N 2 2 353.492 0.774 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326780 667825657 /nfs/dbraw/zinc/82/56/57/667825657.db2.gz KCPZKAYIEARQHR-ROUUACIJSA-N 3 2 352.523 0.092 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326780 667825661 /nfs/dbraw/zinc/82/56/61/667825661.db2.gz KCPZKAYIEARQHR-ROUUACIJSA-N 3 2 352.523 0.092 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326779 667825696 /nfs/dbraw/zinc/82/56/96/667825696.db2.gz KCPZKAYIEARQHR-QZTJIDSGSA-N 3 2 352.523 0.092 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326779 667825700 /nfs/dbraw/zinc/82/57/00/667825700.db2.gz KCPZKAYIEARQHR-QZTJIDSGSA-N 3 2 352.523 0.092 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923333294 667825958 /nfs/dbraw/zinc/82/59/58/667825958.db2.gz QGLJFJKTBWKBFF-CVEARBPZSA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000923333294 667825963 /nfs/dbraw/zinc/82/59/63/667825963.db2.gz QGLJFJKTBWKBFF-CVEARBPZSA-N 2 2 367.877 0.976 20 0 FCADLP CCc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000961990576 674853329 /nfs/dbraw/zinc/85/33/29/674853329.db2.gz LLMICNJAHJHZTJ-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000961990576 674853331 /nfs/dbraw/zinc/85/33/31/674853331.db2.gz LLMICNJAHJHZTJ-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000765699796 668012621 /nfs/dbraw/zinc/01/26/21/668012621.db2.gz YMKSPRRRROQDIS-LSDHHAIUSA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H]1C ZINC000765699796 668012624 /nfs/dbraw/zinc/01/26/24/668012624.db2.gz YMKSPRRRROQDIS-LSDHHAIUSA-N 2 2 374.551 0.620 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCC=CO1 ZINC000805512585 668158966 /nfs/dbraw/zinc/15/89/66/668158966.db2.gz ZMNHINVOPFLJDO-MRXNPFEDSA-N 2 2 352.479 0.280 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCC=CO1 ZINC000805512585 668158970 /nfs/dbraw/zinc/15/89/70/668158970.db2.gz ZMNHINVOPFLJDO-MRXNPFEDSA-N 2 2 352.479 0.280 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000772208564 668293742 /nfs/dbraw/zinc/29/37/42/668293742.db2.gz IXCSTRUBUDJGIX-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000772208564 668293746 /nfs/dbraw/zinc/29/37/46/668293746.db2.gz IXCSTRUBUDJGIX-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H](NC(=O)C[NH+]1CCCC1)C(F)(F)F ZINC000820968534 669144330 /nfs/dbraw/zinc/14/43/30/669144330.db2.gz BMWBZDZCYSOBFT-GFCCVEGCSA-N 2 2 350.385 0.341 20 0 FCADLP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H]3NC(=O)OC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000799142993 669285138 /nfs/dbraw/zinc/28/51/38/669285138.db2.gz GDPTZQVOMZJDAO-HACGYAERSA-N 2 2 350.419 0.291 20 0 FCADLP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H]3NC(=O)OC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000799142993 669285142 /nfs/dbraw/zinc/28/51/42/669285142.db2.gz GDPTZQVOMZJDAO-HACGYAERSA-N 2 2 350.419 0.291 20 0 FCADLP C[N@@H+]1CCN(CCNC(=S)NCCC[NH+]2CCOCC2)CC1(C)C ZINC000799509151 669302922 /nfs/dbraw/zinc/30/29/22/669302922.db2.gz MLWDJEMQAGPNJE-UHFFFAOYSA-N 2 2 357.568 0.199 20 0 FCADLP C[N@H+]1CCN(CCNC(=S)NCCC[NH+]2CCOCC2)CC1(C)C ZINC000799509151 669302927 /nfs/dbraw/zinc/30/29/27/669302927.db2.gz MLWDJEMQAGPNJE-UHFFFAOYSA-N 2 2 357.568 0.199 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000829116464 669684503 /nfs/dbraw/zinc/68/45/03/669684503.db2.gz RXTXQJHMGZLJJM-PBHICJAKSA-N 2 2 367.515 0.948 20 0 FCADLP CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831165919 669833015 /nfs/dbraw/zinc/83/30/15/669833015.db2.gz RTGOAZRGLLNBTB-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831165919 669833021 /nfs/dbraw/zinc/83/30/21/669833021.db2.gz RTGOAZRGLLNBTB-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)C1 ZINC000813635406 669846158 /nfs/dbraw/zinc/84/61/58/669846158.db2.gz SBXZQUGJJBCYAD-KRWDZBQOSA-N 2 2 372.535 0.233 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)C1 ZINC000813635406 669846165 /nfs/dbraw/zinc/84/61/65/669846165.db2.gz SBXZQUGJJBCYAD-KRWDZBQOSA-N 2 2 372.535 0.233 20 0 FCADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC(C)(C)OC1=O ZINC000813644208 669846475 /nfs/dbraw/zinc/84/64/75/669846475.db2.gz HWDPTEQBCLOSRZ-ZFWWWQNUSA-N 2 2 352.479 0.890 20 0 FCADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC(C)(C)OC1=O ZINC000813644208 669846479 /nfs/dbraw/zinc/84/64/79/669846479.db2.gz HWDPTEQBCLOSRZ-ZFWWWQNUSA-N 2 2 352.479 0.890 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccnc1F ZINC000832367471 669901521 /nfs/dbraw/zinc/90/15/21/669901521.db2.gz JMTFRSLIBMIVLN-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccnc1F ZINC000832367471 669901523 /nfs/dbraw/zinc/90/15/23/669901523.db2.gz JMTFRSLIBMIVLN-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843353151 670804319 /nfs/dbraw/zinc/80/43/19/670804319.db2.gz SLSLDZSWIPAWMA-CYBMUJFWSA-N 2 2 351.451 0.346 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843353151 670804328 /nfs/dbraw/zinc/80/43/28/670804328.db2.gz SLSLDZSWIPAWMA-CYBMUJFWSA-N 2 2 351.451 0.346 20 0 FCADLP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C2=O ZINC000843356482 670805690 /nfs/dbraw/zinc/80/56/90/670805690.db2.gz WCUQZRQCKHOXTG-BROWOHMESA-N 2 2 351.451 0.235 20 0 FCADLP CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000846876899 671155762 /nfs/dbraw/zinc/15/57/62/671155762.db2.gz ZZWWGUKSUURKRA-QGZVFWFLSA-N 2 2 351.451 0.904 20 0 FCADLP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877756 671156068 /nfs/dbraw/zinc/15/60/68/671156068.db2.gz OHZUOSZOKQPYRR-SDNWHVSQSA-N 2 2 365.459 0.512 20 0 FCADLP O=S(=O)(Cc1ccccc1)NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848524738 671283899 /nfs/dbraw/zinc/28/38/99/671283899.db2.gz WNNUBWFSWBJHOG-GOSISDBHSA-N 2 2 367.515 0.949 20 0 FCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000858208449 671753099 /nfs/dbraw/zinc/75/30/99/671753099.db2.gz DJIYQRXTRIYYAH-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP C[N@H+]1CCCC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000858208449 671753100 /nfs/dbraw/zinc/75/31/00/671753100.db2.gz DJIYQRXTRIYYAH-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000861568082 671972639 /nfs/dbraw/zinc/97/26/39/671972639.db2.gz VFTPJHCJDBREKD-OAHLLOKOSA-N 2 2 350.463 0.886 20 0 FCADLP C[C@@H]([NH3+])CN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000861565090 671972680 /nfs/dbraw/zinc/97/26/80/671972680.db2.gz FOTRLGPFVIADNC-OAHLLOKOSA-N 2 2 350.463 0.886 20 0 FCADLP CS(=O)(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C(F)(F)F ZINC000903769222 675970923 /nfs/dbraw/zinc/97/09/23/675970923.db2.gz ZVLSSSCYYXGGRW-LOWDOPEQSA-N 2 2 356.410 0.662 20 0 FCADLP CS(=O)(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1C(F)(F)F ZINC000903769222 675970925 /nfs/dbraw/zinc/97/09/25/675970925.db2.gz ZVLSSSCYYXGGRW-LOWDOPEQSA-N 2 2 356.410 0.662 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119293821 672101845 /nfs/dbraw/zinc/10/18/45/672101845.db2.gz NFQLDNBVRXYCFD-GOSISDBHSA-N 2 2 369.531 0.693 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000119293821 672101849 /nfs/dbraw/zinc/10/18/49/672101849.db2.gz NFQLDNBVRXYCFD-GOSISDBHSA-N 2 2 369.531 0.693 20 0 FCADLP O=C1COC[C@]2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)COCCN12 ZINC000865795505 672251750 /nfs/dbraw/zinc/25/17/50/672251750.db2.gz IMTFPUJLHOZBID-HNNXBMFYSA-N 2 2 365.396 0.621 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3CC4(COC4)CC3=O)CC2)CC1 ZINC000872620095 672648054 /nfs/dbraw/zinc/64/80/54/672648054.db2.gz WFJDBHDSZUEAGP-UHFFFAOYSA-N 2 2 350.507 0.685 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CN3CC4(COC4)CC3=O)CC2)CC1 ZINC000872620095 672648057 /nfs/dbraw/zinc/64/80/57/672648057.db2.gz WFJDBHDSZUEAGP-UHFFFAOYSA-N 2 2 350.507 0.685 20 0 FCADLP O=C(CN1CCOCC1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873202569 672712103 /nfs/dbraw/zinc/71/21/03/672712103.db2.gz SPBMBUXOIDMKSM-UHFFFAOYSA-N 2 2 364.515 0.370 20 0 FCADLP O=C(CN1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1)N1CCOCC1 ZINC000873200977 672712223 /nfs/dbraw/zinc/71/22/23/672712223.db2.gz QHSVGDOBHXLUTJ-UHFFFAOYSA-N 2 2 364.515 0.370 20 0 FCADLP Cc1noc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001531186 676075521 /nfs/dbraw/zinc/07/55/21/676075521.db2.gz BLEIVFSYUJATNG-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001531186 676075523 /nfs/dbraw/zinc/07/55/23/676075523.db2.gz BLEIVFSYUJATNG-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879228066 673106231 /nfs/dbraw/zinc/10/62/31/673106231.db2.gz SMZVUBYRENYHOD-MRXNPFEDSA-N 2 2 359.511 0.993 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879228066 673106234 /nfs/dbraw/zinc/10/62/34/673106234.db2.gz SMZVUBYRENYHOD-MRXNPFEDSA-N 2 2 359.511 0.993 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879246682 673106662 /nfs/dbraw/zinc/10/66/62/673106662.db2.gz GWFIAXIBBCLBJP-HOTGVXAUSA-N 2 2 371.547 0.828 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCn2cc(COCC[NH3+])nn2)CC1 ZINC000881343714 673225446 /nfs/dbraw/zinc/22/54/46/673225446.db2.gz MZRUDAYIEZJUAH-UHFFFAOYSA-N 2 2 354.455 0.306 20 0 FCADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000881844620 673249829 /nfs/dbraw/zinc/24/98/29/673249829.db2.gz ZKGQZQXCYXQFNN-HOTGVXAUSA-N 2 2 365.499 0.816 20 0 FCADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000881844620 673249832 /nfs/dbraw/zinc/24/98/32/673249832.db2.gz ZKGQZQXCYXQFNN-HOTGVXAUSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000881844620 673249837 /nfs/dbraw/zinc/24/98/37/673249837.db2.gz ZKGQZQXCYXQFNN-HOTGVXAUSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000881844620 673249841 /nfs/dbraw/zinc/24/98/41/673249841.db2.gz ZKGQZQXCYXQFNN-HOTGVXAUSA-N 2 2 365.499 0.816 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489340 676124400 /nfs/dbraw/zinc/12/44/00/676124400.db2.gz OKFQLBQNTAQHIK-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489340 676124401 /nfs/dbraw/zinc/12/44/01/676124401.db2.gz OKFQLBQNTAQHIK-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489340 676124403 /nfs/dbraw/zinc/12/44/03/676124403.db2.gz OKFQLBQNTAQHIK-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489340 676124405 /nfs/dbraw/zinc/12/44/05/676124405.db2.gz OKFQLBQNTAQHIK-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424948 673374701 /nfs/dbraw/zinc/37/47/01/673374701.db2.gz HXVDCKHUFPGADW-SJORKVTESA-N 2 2 351.491 0.858 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424948 673374706 /nfs/dbraw/zinc/37/47/06/673374706.db2.gz HXVDCKHUFPGADW-SJORKVTESA-N 2 2 351.491 0.858 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000883653263 673389164 /nfs/dbraw/zinc/38/91/64/673389164.db2.gz PRQPVOBPRAORNC-UHFFFAOYSA-N 2 2 354.495 0.287 20 0 FCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000884224522 673439550 /nfs/dbraw/zinc/43/95/50/673439550.db2.gz RGUIIYFPQMFLAN-ZBFHGGJFSA-N 2 2 354.495 0.045 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000884673144 673471291 /nfs/dbraw/zinc/47/12/91/673471291.db2.gz OYULDXDUNQTAKQ-INIZCTEOSA-N 2 2 350.438 0.886 20 0 FCADLP Cc1[nH]c(C2CC[NH+](CCNS(=O)(=O)c3cnn(C)c3)CC2)[nH+]c1C ZINC000886666249 673594654 /nfs/dbraw/zinc/59/46/54/673594654.db2.gz PSSPPJOBSYCLPW-UHFFFAOYSA-N 2 2 366.491 0.918 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)ccc2[nH+]1 ZINC000887035359 673616402 /nfs/dbraw/zinc/61/64/02/673616402.db2.gz MFFGJGGXVYUUFM-NSHDSACASA-N 2 2 351.357 0.942 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000925609390 673797199 /nfs/dbraw/zinc/79/71/99/673797199.db2.gz AXVFNIJYWHWMCD-VQHPVUNQSA-N 2 2 354.495 0.384 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000925609390 673797201 /nfs/dbraw/zinc/79/72/01/673797201.db2.gz AXVFNIJYWHWMCD-VQHPVUNQSA-N 2 2 354.495 0.384 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000930335930 674013842 /nfs/dbraw/zinc/01/38/42/674013842.db2.gz CVSMQYPFLABHDG-LSDHHAIUSA-N 2 2 352.866 0.879 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000930335930 674013844 /nfs/dbraw/zinc/01/38/44/674013844.db2.gz CVSMQYPFLABHDG-LSDHHAIUSA-N 2 2 352.866 0.879 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968979706 675257773 /nfs/dbraw/zinc/25/77/73/675257773.db2.gz SSPBRVYCPBPOCS-MGPQQGTHSA-N 2 2 361.471 0.936 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968979706 675257778 /nfs/dbraw/zinc/25/77/78/675257778.db2.gz SSPBRVYCPBPOCS-MGPQQGTHSA-N 2 2 361.471 0.936 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001020286613 675439511 /nfs/dbraw/zinc/43/95/11/675439511.db2.gz GLZQOZVCRCZTKR-BJKGOZRQSA-N 2 2 353.492 0.863 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001020286613 675439514 /nfs/dbraw/zinc/43/95/14/675439514.db2.gz GLZQOZVCRCZTKR-BJKGOZRQSA-N 2 2 353.492 0.863 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001038262665 675442770 /nfs/dbraw/zinc/44/27/70/675442770.db2.gz MSDGGXSEDTTYBX-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001038262665 675442771 /nfs/dbraw/zinc/44/27/71/675442771.db2.gz MSDGGXSEDTTYBX-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001038262665 675442772 /nfs/dbraw/zinc/44/27/72/675442772.db2.gz MSDGGXSEDTTYBX-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001038262665 675442773 /nfs/dbraw/zinc/44/27/73/675442773.db2.gz MSDGGXSEDTTYBX-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nn(C)cc2Cl)O1 ZINC001045091505 675650392 /nfs/dbraw/zinc/65/03/92/675650392.db2.gz ZBTYHIPZRSYVNV-DVOMOZLQSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nn(C)cc2Cl)O1 ZINC001045091505 675650396 /nfs/dbraw/zinc/65/03/96/675650396.db2.gz ZBTYHIPZRSYVNV-DVOMOZLQSA-N 2 2 369.897 0.873 20 0 FCADLP COc1nscc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045090965 675650526 /nfs/dbraw/zinc/65/05/26/675650526.db2.gz MMFWTUMUBNFORN-VHDGCEQUSA-N 2 2 368.503 0.951 20 0 FCADLP COc1nscc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045090965 675650529 /nfs/dbraw/zinc/65/05/29/675650529.db2.gz MMFWTUMUBNFORN-VHDGCEQUSA-N 2 2 368.503 0.951 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000900443493 675682601 /nfs/dbraw/zinc/68/26/01/675682601.db2.gz UYTLTKYCULBRLL-CQSZACIVSA-N 2 2 351.451 0.658 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000900443493 675682605 /nfs/dbraw/zinc/68/26/05/675682605.db2.gz UYTLTKYCULBRLL-CQSZACIVSA-N 2 2 351.451 0.658 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CCO2)CC1 ZINC000900596263 675697986 /nfs/dbraw/zinc/69/79/86/675697986.db2.gz ACHOWJFMEYSGJZ-RCCFBDPRSA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CCO2)CC1 ZINC000900596263 675697988 /nfs/dbraw/zinc/69/79/88/675697988.db2.gz ACHOWJFMEYSGJZ-RCCFBDPRSA-N 2 2 350.507 0.478 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000900613408 675699700 /nfs/dbraw/zinc/69/97/00/675699700.db2.gz JQHJICZHMVSMDS-SFHVURJKSA-N 2 2 353.555 0.545 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000900613407 675699789 /nfs/dbraw/zinc/69/97/89/675699789.db2.gz JQHJICZHMVSMDS-GOSISDBHSA-N 2 2 353.555 0.545 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900646673 675703292 /nfs/dbraw/zinc/70/32/92/675703292.db2.gz NXMJOERAKIMVPN-JKSUJKDBSA-N 2 2 357.520 0.629 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900646673 675703297 /nfs/dbraw/zinc/70/32/97/675703297.db2.gz NXMJOERAKIMVPN-JKSUJKDBSA-N 2 2 357.520 0.629 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000900784251 675716135 /nfs/dbraw/zinc/71/61/35/675716135.db2.gz SNYVTMHXJMFSFH-CVEARBPZSA-N 2 2 355.479 0.346 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000900784251 675716137 /nfs/dbraw/zinc/71/61/37/675716137.db2.gz SNYVTMHXJMFSFH-CVEARBPZSA-N 2 2 355.479 0.346 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000900868127 675725274 /nfs/dbraw/zinc/72/52/74/675725274.db2.gz XOSMGRGRCHAYNO-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897488753 1192191954 /nfs/dbraw/zinc/19/19/54/1192191954.db2.gz LJCYVKUPSGIJLG-CABCVRRESA-N 2 2 356.430 0.520 20 0 FCADLP CCCn1nccc1NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266276894 1167825173 /nfs/dbraw/zinc/82/51/73/1167825173.db2.gz FQAFCAYEFPGVJG-HUUCEWRRSA-N 2 2 364.494 0.620 20 0 FCADLP CCCn1nccc1NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266276894 1167825174 /nfs/dbraw/zinc/82/51/74/1167825174.db2.gz FQAFCAYEFPGVJG-HUUCEWRRSA-N 2 2 364.494 0.620 20 0 FCADLP CCCn1nccc1NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266276894 1167825177 /nfs/dbraw/zinc/82/51/77/1167825177.db2.gz FQAFCAYEFPGVJG-HUUCEWRRSA-N 2 2 364.494 0.620 20 0 FCADLP CCCn1nccc1NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266276894 1167825178 /nfs/dbraw/zinc/82/51/78/1167825178.db2.gz FQAFCAYEFPGVJG-HUUCEWRRSA-N 2 2 364.494 0.620 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C)CC[N@@H+]1C ZINC001020473573 1167892568 /nfs/dbraw/zinc/89/25/68/1167892568.db2.gz ICACBGLAIOPBTP-WTTBNOFXSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C)CC[N@H+]1C ZINC001020473573 1167892573 /nfs/dbraw/zinc/89/25/73/1167892573.db2.gz ICACBGLAIOPBTP-WTTBNOFXSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000969464196 1167967668 /nfs/dbraw/zinc/96/76/68/1167967668.db2.gz HXSIGJFNLOBFEY-WCXIOVBPSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000969464196 1167967673 /nfs/dbraw/zinc/96/76/73/1167967673.db2.gz HXSIGJFNLOBFEY-WCXIOVBPSA-N 2 2 359.474 0.815 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000969745745 1168090904 /nfs/dbraw/zinc/09/09/04/1168090904.db2.gz VDSQFYZVSQILMG-XUWVNRHRSA-N 2 2 359.474 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000969745745 1168090911 /nfs/dbraw/zinc/09/09/11/1168090911.db2.gz VDSQFYZVSQILMG-XUWVNRHRSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)n1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020603996 1168149366 /nfs/dbraw/zinc/14/93/66/1168149366.db2.gz RUIJTSCSNXRDSR-AAVRWANBSA-N 2 2 358.450 0.528 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192481 1168156881 /nfs/dbraw/zinc/15/68/81/1168156881.db2.gz CXVYNVZHBHZSRL-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192481 1168156886 /nfs/dbraw/zinc/15/68/86/1168156886.db2.gz CXVYNVZHBHZSRL-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192481 1168156891 /nfs/dbraw/zinc/15/68/91/1168156891.db2.gz CXVYNVZHBHZSRL-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192481 1168156895 /nfs/dbraw/zinc/15/68/95/1168156895.db2.gz CXVYNVZHBHZSRL-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP COc1ncccc1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969957340 1168237027 /nfs/dbraw/zinc/23/70/27/1168237027.db2.gz FBJDAEYYXKAORD-CKEIUWERSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969957340 1168237034 /nfs/dbraw/zinc/23/70/34/1168237034.db2.gz FBJDAEYYXKAORD-CKEIUWERSA-N 2 2 362.474 0.746 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC000970043583 1168306428 /nfs/dbraw/zinc/30/64/28/1168306428.db2.gz UFRCUEHICMIFPA-JJTUDDRGSA-N 2 2 371.485 0.820 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC000970043583 1168306433 /nfs/dbraw/zinc/30/64/33/1168306433.db2.gz UFRCUEHICMIFPA-JJTUDDRGSA-N 2 2 371.485 0.820 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112486347 1169085121 /nfs/dbraw/zinc/08/51/21/1169085121.db2.gz NDYJOPCWQIMGSD-LPHOPBHVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021488511 1169463446 /nfs/dbraw/zinc/46/34/46/1169463446.db2.gz ALIYBDGPEHRPBF-LSDHHAIUSA-N 2 2 356.430 0.607 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001021713019 1169918690 /nfs/dbraw/zinc/91/86/90/1169918690.db2.gz YRDVPZFZRHMQEK-DOTOQJQBSA-N 2 2 370.457 0.617 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001087141913 1170009455 /nfs/dbraw/zinc/00/94/55/1170009455.db2.gz ZXWRQHXGAYCECZ-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001087141913 1170009460 /nfs/dbraw/zinc/00/94/60/1170009460.db2.gz ZXWRQHXGAYCECZ-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2)N1CCC1 ZINC001112500992 1170024448 /nfs/dbraw/zinc/02/44/48/1170024448.db2.gz BWTCDLHWBLXHBE-LPHOPBHVSA-N 2 2 359.474 0.724 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891364562 1170065844 /nfs/dbraw/zinc/06/58/44/1170065844.db2.gz WHTRNXABCQRXRA-ZNMIVQPWSA-N 2 2 374.445 0.460 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988724677 1192406008 /nfs/dbraw/zinc/40/60/08/1192406008.db2.gz HUWCBRFGWQEJRX-INMHGKMJSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104367126 1170648835 /nfs/dbraw/zinc/64/88/35/1170648835.db2.gz IDMAWUPABLTZLA-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104367130 1170649738 /nfs/dbraw/zinc/64/97/38/1170649738.db2.gz IELGGNCDQRGNTO-VHDGCEQUSA-N 2 2 361.490 0.643 20 0 FCADLP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104367130 1170649741 /nfs/dbraw/zinc/64/97/41/1170649741.db2.gz IELGGNCDQRGNTO-VHDGCEQUSA-N 2 2 361.490 0.643 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104367379 1170653169 /nfs/dbraw/zinc/65/31/69/1170653169.db2.gz QMJTXMGQQNMUQH-IXDOHACOSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001022212360 1170750547 /nfs/dbraw/zinc/75/05/47/1170750547.db2.gz AJCKUYLJUSSUPY-YQQAZPJKSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022212420 1170750861 /nfs/dbraw/zinc/75/08/61/1170750861.db2.gz CUHRWLSCVJWVIS-DOTOQJQBSA-N 2 2 359.474 0.364 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1)[NH+](C)C ZINC001022212443 1170750935 /nfs/dbraw/zinc/75/09/35/1170750935.db2.gz DYYRPZPIWTUBGQ-YXJHDRRASA-N 2 2 361.490 0.608 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022212981 1170758392 /nfs/dbraw/zinc/75/83/92/1170758392.db2.gz VVCZJVVBEYYWHX-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022212981 1170758403 /nfs/dbraw/zinc/75/84/03/1170758403.db2.gz VVCZJVVBEYYWHX-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022213239 1170760534 /nfs/dbraw/zinc/76/05/34/1170760534.db2.gz ZQNIPIHQHMSYEP-CGTJXYLNSA-N 2 2 371.485 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217304 1170765297 /nfs/dbraw/zinc/76/52/97/1170765297.db2.gz JXCMYDNBVXFAKU-GOEBONIOSA-N 2 2 357.458 0.118 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)O1 ZINC001022276563 1170824264 /nfs/dbraw/zinc/82/42/64/1170824264.db2.gz NBXDAGRTEYKKNP-JJAZEVLHSA-N 2 2 362.478 0.144 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)O1 ZINC001022276563 1170824265 /nfs/dbraw/zinc/82/42/65/1170824265.db2.gz NBXDAGRTEYKKNP-JJAZEVLHSA-N 2 2 362.478 0.144 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)CC[N@@H+]1C ZINC001022390184 1170939141 /nfs/dbraw/zinc/93/91/41/1170939141.db2.gz CFDNTSNSZFOYEX-CYGHRXIMSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)CC[N@H+]1C ZINC001022390184 1170939193 /nfs/dbraw/zinc/93/91/93/1170939193.db2.gz CFDNTSNSZFOYEX-CYGHRXIMSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001087183278 1171066227 /nfs/dbraw/zinc/06/62/27/1171066227.db2.gz LUINWQRDCIJSII-VKJFTORMSA-N 2 2 371.489 0.991 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC1 ZINC001022516748 1171353850 /nfs/dbraw/zinc/35/38/50/1171353850.db2.gz VZXTWAHYXNWDRU-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)CCC1 ZINC000971965596 1171467603 /nfs/dbraw/zinc/46/76/03/1171467603.db2.gz FKBAATVOVDYAAN-HUUCEWRRSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)cn1 ZINC000892196557 1171726806 /nfs/dbraw/zinc/72/68/06/1171726806.db2.gz FCEDKGLWBLEXPD-UHFFFAOYSA-N 2 2 371.489 0.965 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)cn1 ZINC000892196557 1171726809 /nfs/dbraw/zinc/72/68/09/1171726809.db2.gz FCEDKGLWBLEXPD-UHFFFAOYSA-N 2 2 371.489 0.965 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087205246 1171767041 /nfs/dbraw/zinc/76/70/41/1171767041.db2.gz JHPFMVBRHVNVQS-UGUYLWEFSA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087205246 1171767051 /nfs/dbraw/zinc/76/70/51/1171767051.db2.gz JHPFMVBRHVNVQS-UGUYLWEFSA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001022717891 1171809668 /nfs/dbraw/zinc/80/96/68/1171809668.db2.gz NXADKGOEVMGEFV-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001022717891 1171809670 /nfs/dbraw/zinc/80/96/70/1171809670.db2.gz NXADKGOEVMGEFV-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001022735719 1171838143 /nfs/dbraw/zinc/83/81/43/1171838143.db2.gz FFASFXUOQKYQFT-YIDVYQOGSA-N 2 2 359.474 0.770 20 0 FCADLP CCCn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022736526 1171839255 /nfs/dbraw/zinc/83/92/55/1171839255.db2.gz XDGSOHMWMZBQIE-XJFOESAGSA-N 2 2 358.450 0.357 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972310390 1171952188 /nfs/dbraw/zinc/95/21/88/1171952188.db2.gz AQRHDRWTJIPSHR-SOLBZPMBSA-N 2 2 371.485 0.662 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972310456 1171952646 /nfs/dbraw/zinc/95/26/46/1171952646.db2.gz CBWCWBODWOEHJH-BPQIPLTHSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972310456 1171952654 /nfs/dbraw/zinc/95/26/54/1171952654.db2.gz CBWCWBODWOEHJH-BPQIPLTHSA-N 2 2 371.485 0.743 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083248326 1172009318 /nfs/dbraw/zinc/00/93/18/1172009318.db2.gz ALEJITVJDIRYJW-YESZJQIVSA-N 2 2 362.474 0.689 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083248326 1172009323 /nfs/dbraw/zinc/00/93/23/1172009323.db2.gz ALEJITVJDIRYJW-YESZJQIVSA-N 2 2 362.474 0.689 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3COCC[NH2+]3)C2)c1 ZINC000892288579 1172016862 /nfs/dbraw/zinc/01/68/62/1172016862.db2.gz DCFGKRMBIPFZIO-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3COCC[NH2+]3)C2)c1 ZINC000892288579 1172016869 /nfs/dbraw/zinc/01/68/69/1172016869.db2.gz DCFGKRMBIPFZIO-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC001022843497 1172051685 /nfs/dbraw/zinc/05/16/85/1172051685.db2.gz NDCJUHFOXNVFHG-KVSKMBFKSA-N 2 2 371.485 0.886 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@@H+]1C ZINC001022843555 1172053514 /nfs/dbraw/zinc/05/35/14/1172053514.db2.gz QGPXVDSIUOXVBK-QMCVQRASSA-N 2 2 359.474 0.742 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@H+]1C ZINC001022843555 1172053525 /nfs/dbraw/zinc/05/35/25/1172053525.db2.gz QGPXVDSIUOXVBK-QMCVQRASSA-N 2 2 359.474 0.742 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001022845839 1172055436 /nfs/dbraw/zinc/05/54/36/1172055436.db2.gz DCWHPTIJNHDDII-DOTOQJQBSA-N 2 2 371.485 0.888 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@@H](O)C1CC1 ZINC000079771019 1172081358 /nfs/dbraw/zinc/08/13/58/1172081358.db2.gz OFAZTGXBCJRWNP-LJQANCHMSA-N 2 2 361.486 0.838 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@@H](O)C1CC1 ZINC000079771019 1172081367 /nfs/dbraw/zinc/08/13/67/1172081367.db2.gz OFAZTGXBCJRWNP-LJQANCHMSA-N 2 2 361.486 0.838 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972415279 1172098542 /nfs/dbraw/zinc/09/85/42/1172098542.db2.gz PVJBIHINBMUFLR-KCYZZUKISA-N 2 2 359.474 0.660 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000972415279 1172098549 /nfs/dbraw/zinc/09/85/49/1172098549.db2.gz PVJBIHINBMUFLR-KCYZZUKISA-N 2 2 359.474 0.660 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000988842808 1192529574 /nfs/dbraw/zinc/52/95/74/1192529574.db2.gz YUVLTVYTBGYGIR-PVAVHDDUSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000988842808 1192529578 /nfs/dbraw/zinc/52/95/78/1192529578.db2.gz YUVLTVYTBGYGIR-PVAVHDDUSA-N 2 2 361.490 0.943 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621783 1192694265 /nfs/dbraw/zinc/69/42/65/1192694265.db2.gz TUQHYVVSXFIXIR-KFWWJZLASA-N 2 2 364.494 0.450 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621783 1192694268 /nfs/dbraw/zinc/69/42/68/1192694268.db2.gz TUQHYVVSXFIXIR-KFWWJZLASA-N 2 2 364.494 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621783 1192694270 /nfs/dbraw/zinc/69/42/70/1192694270.db2.gz TUQHYVVSXFIXIR-KFWWJZLASA-N 2 2 364.494 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621783 1192694273 /nfs/dbraw/zinc/69/42/73/1192694273.db2.gz TUQHYVVSXFIXIR-KFWWJZLASA-N 2 2 364.494 0.450 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001272183698 1192707672 /nfs/dbraw/zinc/70/76/72/1192707672.db2.gz CDFKDBMUPGUDJI-MRXNPFEDSA-N 2 2 357.458 0.571 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459987029 1192783784 /nfs/dbraw/zinc/78/37/84/1192783784.db2.gz HEVQQDZXMAQQSN-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459987029 1192783790 /nfs/dbraw/zinc/78/37/90/1192783790.db2.gz HEVQQDZXMAQQSN-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C)n1 ZINC001088674306 1192816475 /nfs/dbraw/zinc/81/64/75/1192816475.db2.gz FIYMZMFYTHMWJI-QBIMZIAESA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C)n1 ZINC001088674306 1192816476 /nfs/dbraw/zinc/81/64/76/1192816476.db2.gz FIYMZMFYTHMWJI-QBIMZIAESA-N 2 2 371.489 0.933 20 0 FCADLP O=C(NCC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001059974033 1192829759 /nfs/dbraw/zinc/82/97/59/1192829759.db2.gz KGQYWQCURJYUFK-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(NCC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001059974033 1192829761 /nfs/dbraw/zinc/82/97/61/1192829761.db2.gz KGQYWQCURJYUFK-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000898017164 1192855081 /nfs/dbraw/zinc/85/50/81/1192855081.db2.gz KDSYNFAFFUBFSB-CABCVRRESA-N 2 2 368.441 0.446 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3COCC[C@H]3OC)CC2)CC1 ZINC000898081997 1192857303 /nfs/dbraw/zinc/85/73/03/1192857303.db2.gz YRRLNCOZFGSWHQ-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3COCC[C@H]3OC)CC2)CC1 ZINC000898081997 1192857304 /nfs/dbraw/zinc/85/73/04/1192857304.db2.gz YRRLNCOZFGSWHQ-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000989482938 1192871450 /nfs/dbraw/zinc/87/14/50/1192871450.db2.gz WYTCGHMPTRCQLZ-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000989482938 1192871451 /nfs/dbraw/zinc/87/14/51/1192871451.db2.gz WYTCGHMPTRCQLZ-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104440776 1178868134 /nfs/dbraw/zinc/86/81/34/1178868134.db2.gz YVNDWAPIEXEXPS-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCCO ZINC001104452198 1178887638 /nfs/dbraw/zinc/88/76/38/1178887638.db2.gz GJVKPPJCNILJEO-BHIYHBOVSA-N 2 2 367.534 0.944 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCCO ZINC001104452198 1178887639 /nfs/dbraw/zinc/88/76/39/1178887639.db2.gz GJVKPPJCNILJEO-BHIYHBOVSA-N 2 2 367.534 0.944 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CCC[N@H+]4C)C3)ccn12 ZINC001023214362 1179236811 /nfs/dbraw/zinc/23/68/11/1179236811.db2.gz GFCQNMUBMYURFR-OWCLPIDISA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](O)[C@H](NC(=O)[C@@H]4CCC[N@@H+]4C)C3)ccn12 ZINC001023214362 1179236817 /nfs/dbraw/zinc/23/68/17/1179236817.db2.gz GFCQNMUBMYURFR-OWCLPIDISA-N 2 2 371.441 0.038 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379918 1179506849 /nfs/dbraw/zinc/50/68/49/1179506849.db2.gz OHKVBFCNRUYCGT-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379918 1179506857 /nfs/dbraw/zinc/50/68/57/1179506857.db2.gz OHKVBFCNRUYCGT-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023379918 1179506872 /nfs/dbraw/zinc/50/68/72/1179506872.db2.gz OHKVBFCNRUYCGT-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023379918 1179506885 /nfs/dbraw/zinc/50/68/85/1179506885.db2.gz OHKVBFCNRUYCGT-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001083262128 1179889260 /nfs/dbraw/zinc/88/92/60/1179889260.db2.gz DPFDUZRKMDTZBS-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001083262128 1179889262 /nfs/dbraw/zinc/88/92/62/1179889262.db2.gz DPFDUZRKMDTZBS-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CCCO ZINC001691765831 1180025728 /nfs/dbraw/zinc/02/57/28/1180025728.db2.gz AKAXLOLPRNOJLK-KCYZZUKISA-N 2 2 350.463 0.359 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC001023783218 1180300663 /nfs/dbraw/zinc/30/06/63/1180300663.db2.gz FQSHWCYRZNTIFF-BZUAXINKSA-N 2 2 360.458 0.260 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC001023783218 1180300671 /nfs/dbraw/zinc/30/06/71/1180300671.db2.gz FQSHWCYRZNTIFF-BZUAXINKSA-N 2 2 360.458 0.260 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000972828775 1180868439 /nfs/dbraw/zinc/86/84/39/1180868439.db2.gz UTZHCSWPKVMXIL-GVDBMIGSSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972850574 1180893899 /nfs/dbraw/zinc/89/38/99/1180893899.db2.gz UMAMDLIPXNMECE-KCYZZUKISA-N 2 2 369.469 0.668 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972850574 1180893901 /nfs/dbraw/zinc/89/39/01/1180893901.db2.gz UMAMDLIPXNMECE-KCYZZUKISA-N 2 2 369.469 0.668 20 0 FCADLP Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001024165891 1180933834 /nfs/dbraw/zinc/93/38/34/1180933834.db2.gz XLFFUMAJRNYECM-NUEKZKHPSA-N 2 2 357.462 0.681 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001024503515 1181253086 /nfs/dbraw/zinc/25/30/86/1181253086.db2.gz GBTRIWQFGZUBKE-IXDOHACOSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001024503515 1181253094 /nfs/dbraw/zinc/25/30/94/1181253094.db2.gz GBTRIWQFGZUBKE-IXDOHACOSA-N 2 2 371.441 0.349 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000972990185 1181851660 /nfs/dbraw/zinc/85/16/60/1181851660.db2.gz QJQCWNLZWAWRED-BRWVUGGUSA-N 2 2 357.458 0.284 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC[C@@H]21 ZINC000659256390 1182105754 /nfs/dbraw/zinc/10/57/54/1182105754.db2.gz OXUIGRPPGDIVFC-ZACQAIPSSA-N 2 2 359.474 0.989 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC[C@@H]21 ZINC000659256390 1182105756 /nfs/dbraw/zinc/10/57/56/1182105756.db2.gz OXUIGRPPGDIVFC-ZACQAIPSSA-N 2 2 359.474 0.989 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256414 1182105977 /nfs/dbraw/zinc/10/59/77/1182105977.db2.gz PTRWAEJAXODKSG-VQIMIIECSA-N 2 2 359.474 0.991 20 0 FCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256414 1182105983 /nfs/dbraw/zinc/10/59/83/1182105983.db2.gz PTRWAEJAXODKSG-VQIMIIECSA-N 2 2 359.474 0.991 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083280702 1182351519 /nfs/dbraw/zinc/35/15/19/1182351519.db2.gz CIQIDYVNAIVGRN-KSZLIROESA-N 2 2 367.490 0.188 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083280702 1182351523 /nfs/dbraw/zinc/35/15/23/1182351523.db2.gz CIQIDYVNAIVGRN-KSZLIROESA-N 2 2 367.490 0.188 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083280702 1182351528 /nfs/dbraw/zinc/35/15/28/1182351528.db2.gz CIQIDYVNAIVGRN-KSZLIROESA-N 2 2 367.490 0.188 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc(C4CC4)n3C)C2)CC[N@@H+]1C ZINC001028550189 1187602171 /nfs/dbraw/zinc/60/21/71/1187602171.db2.gz KFICXEQHJLGUPG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc(C4CC4)n3C)C2)CC[N@H+]1C ZINC001028550189 1187602174 /nfs/dbraw/zinc/60/21/74/1187602174.db2.gz KFICXEQHJLGUPG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)C2)CC[NH+]1C ZINC001028550189 1187602177 /nfs/dbraw/zinc/60/21/77/1187602177.db2.gz KFICXEQHJLGUPG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)C2)CC[NH+]1C ZINC001028550189 1187602179 /nfs/dbraw/zinc/60/21/79/1187602179.db2.gz KFICXEQHJLGUPG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001028550087 1187602348 /nfs/dbraw/zinc/60/23/48/1187602348.db2.gz GHWKQCTVJOZLHW-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001028550087 1187602349 /nfs/dbraw/zinc/60/23/49/1187602349.db2.gz GHWKQCTVJOZLHW-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C(C)(C)C)C2)CC[NH+]1C ZINC001028550087 1187602351 /nfs/dbraw/zinc/60/23/51/1187602351.db2.gz GHWKQCTVJOZLHW-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C(C)(C)C)C2)CC[NH+]1C ZINC001028550087 1187602355 /nfs/dbraw/zinc/60/23/55/1187602355.db2.gz GHWKQCTVJOZLHW-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000549918013 1187646900 /nfs/dbraw/zinc/64/69/00/1187646900.db2.gz GAAJWQBOIMGLMU-UHFFFAOYSA-N 2 2 370.457 0.565 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372672 1187693394 /nfs/dbraw/zinc/69/33/94/1187693394.db2.gz AFZTVKKMSROGLJ-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372672 1187693396 /nfs/dbraw/zinc/69/33/96/1187693396.db2.gz AFZTVKKMSROGLJ-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372672 1187693399 /nfs/dbraw/zinc/69/33/99/1187693399.db2.gz AFZTVKKMSROGLJ-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372672 1187693401 /nfs/dbraw/zinc/69/34/01/1187693401.db2.gz AFZTVKKMSROGLJ-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP O=C(CCCC[NH+]1CCCC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729321625 1187712966 /nfs/dbraw/zinc/71/29/66/1187712966.db2.gz IRTDSZGLSXRDGJ-UHFFFAOYSA-N 2 2 360.506 0.981 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333433730 1187741067 /nfs/dbraw/zinc/74/10/67/1187741067.db2.gz KEHISOAKEWGCJA-HOTGVXAUSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333433730 1187741070 /nfs/dbraw/zinc/74/10/70/1187741070.db2.gz KEHISOAKEWGCJA-HOTGVXAUSA-N 2 2 362.478 0.964 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627833 1187755966 /nfs/dbraw/zinc/75/59/66/1187755966.db2.gz JBDXXRBMSCZAJU-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627833 1187755973 /nfs/dbraw/zinc/75/59/73/1187755973.db2.gz JBDXXRBMSCZAJU-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627833 1187755981 /nfs/dbraw/zinc/75/59/81/1187755981.db2.gz JBDXXRBMSCZAJU-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627833 1187755989 /nfs/dbraw/zinc/75/59/89/1187755989.db2.gz JBDXXRBMSCZAJU-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000982995332 1187809681 /nfs/dbraw/zinc/80/96/81/1187809681.db2.gz UIYWGEIWGCXZBE-ARFHVFGLSA-N 2 2 370.457 0.693 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000983032792 1187817688 /nfs/dbraw/zinc/81/76/88/1187817688.db2.gz KVVOHZARJXNYOR-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000983032792 1187817690 /nfs/dbraw/zinc/81/76/90/1187817690.db2.gz KVVOHZARJXNYOR-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812024 1187910957 /nfs/dbraw/zinc/91/09/57/1187910957.db2.gz VNRMPNRQQSJVFM-NUEKZKHPSA-N 2 2 370.457 0.961 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812024 1187910962 /nfs/dbraw/zinc/91/09/62/1187910962.db2.gz VNRMPNRQQSJVFM-NUEKZKHPSA-N 2 2 370.457 0.961 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813702 1187915003 /nfs/dbraw/zinc/91/50/03/1187915003.db2.gz MRQGPJHUFWWUJS-BRWVUGGUSA-N 2 2 369.469 0.861 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813702 1187915006 /nfs/dbraw/zinc/91/50/06/1187915006.db2.gz MRQGPJHUFWWUJS-BRWVUGGUSA-N 2 2 369.469 0.861 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000983372893 1188024591 /nfs/dbraw/zinc/02/45/91/1188024591.db2.gz MXXIZMWHYSBVKI-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000983372893 1188024595 /nfs/dbraw/zinc/02/45/95/1188024595.db2.gz MXXIZMWHYSBVKI-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001270333782 1188098483 /nfs/dbraw/zinc/09/84/83/1188098483.db2.gz WBLHSSWCWOTMNQ-DNVCBOLYSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001270333782 1188098490 /nfs/dbraw/zinc/09/84/90/1188098490.db2.gz WBLHSSWCWOTMNQ-DNVCBOLYSA-N 2 2 359.474 0.855 20 0 FCADLP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332492 1188100244 /nfs/dbraw/zinc/10/02/44/1188100244.db2.gz KIGYLVLBAFLVSN-APWZRJJASA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332492 1188100248 /nfs/dbraw/zinc/10/02/48/1188100248.db2.gz KIGYLVLBAFLVSN-APWZRJJASA-N 2 2 359.474 0.818 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332501 1188101592 /nfs/dbraw/zinc/10/15/92/1188101592.db2.gz KJIXZUCRVARAIG-KXBFYZLASA-N 2 2 359.474 0.713 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332501 1188101597 /nfs/dbraw/zinc/10/15/97/1188101597.db2.gz KJIXZUCRVARAIG-KXBFYZLASA-N 2 2 359.474 0.713 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001270358096 1188115185 /nfs/dbraw/zinc/11/51/85/1188115185.db2.gz LBQFMGIIOVDMBU-SFHVURJKSA-N 2 2 363.462 0.055 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC3(CCN(CCn4cc[nH+]c4)C3=O)CC2)C1 ZINC001270491149 1188172188 /nfs/dbraw/zinc/17/21/88/1188172188.db2.gz VHHQNMVBQDFMIQ-INIZCTEOSA-N 2 2 359.474 0.676 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCC3(CCN(CCn4cc[nH+]c4)C3=O)CC2)C1 ZINC001270491149 1188172194 /nfs/dbraw/zinc/17/21/94/1188172194.db2.gz VHHQNMVBQDFMIQ-INIZCTEOSA-N 2 2 359.474 0.676 20 0 FCADLP C[NH+](C)CCN1CC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)OCC1=O ZINC001270757319 1188297323 /nfs/dbraw/zinc/29/73/23/1188297323.db2.gz XLIGGLDVUJDHEZ-UHFFFAOYSA-N 2 2 357.414 0.178 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550372487 1188343216 /nfs/dbraw/zinc/34/32/16/1188343216.db2.gz LPGGIVWAZLFOEO-IYBDPMFKSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550372487 1188343218 /nfs/dbraw/zinc/34/32/18/1188343218.db2.gz LPGGIVWAZLFOEO-IYBDPMFKSA-N 2 2 368.522 0.543 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2)NCC1CC1 ZINC001112536040 1188349150 /nfs/dbraw/zinc/34/91/50/1188349150.db2.gz NEYGRGBRRIJXMC-KXBFYZLASA-N 2 2 359.474 0.697 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC000984006622 1189367433 /nfs/dbraw/zinc/36/74/33/1189367433.db2.gz IVRRYQUHVAWAET-QHSBEEBCSA-N 2 2 362.478 0.386 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC000984006622 1189367439 /nfs/dbraw/zinc/36/74/39/1189367439.db2.gz IVRRYQUHVAWAET-QHSBEEBCSA-N 2 2 362.478 0.386 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001087529873 1189385093 /nfs/dbraw/zinc/38/50/93/1189385093.db2.gz XBZYPUPFFXHQNY-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccnc(OC)c1 ZINC001087529873 1189385100 /nfs/dbraw/zinc/38/51/00/1189385100.db2.gz XBZYPUPFFXHQNY-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccnc(OC)c1 ZINC001087529873 1189385106 /nfs/dbraw/zinc/38/51/06/1189385106.db2.gz XBZYPUPFFXHQNY-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccnc(OC)c1 ZINC001087529873 1189385114 /nfs/dbraw/zinc/38/51/14/1189385114.db2.gz XBZYPUPFFXHQNY-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCN2CCCC2=O)O1 ZINC001029356726 1189432593 /nfs/dbraw/zinc/43/25/93/1189432593.db2.gz TUPPRAZWZIFILQ-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCN2CCCC2=O)O1 ZINC001029356726 1189432604 /nfs/dbraw/zinc/43/26/04/1189432604.db2.gz TUPPRAZWZIFILQ-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCN2CCCC2=O)O1 ZINC001029356726 1189432614 /nfs/dbraw/zinc/43/26/14/1189432614.db2.gz TUPPRAZWZIFILQ-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN2CCCC2=O)O1 ZINC001029356726 1189432619 /nfs/dbraw/zinc/43/26/19/1189432619.db2.gz TUPPRAZWZIFILQ-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)CC[NH+]2CCCC2)C1=O ZINC001271061434 1189546087 /nfs/dbraw/zinc/54/60/87/1189546087.db2.gz OKXQRMOAHOIJRJ-IBGZPJMESA-N 2 2 359.474 1.000 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCC3)C2)C1=O ZINC001271061379 1189546600 /nfs/dbraw/zinc/54/66/00/1189546600.db2.gz MPPRFSHYXKSKBS-IBGZPJMESA-N 2 2 359.474 0.857 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1ccnn1C ZINC001087700818 1189779974 /nfs/dbraw/zinc/77/99/74/1189779974.db2.gz ZSMTWLOHUDEJJG-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1ccnn1C ZINC001087700818 1189779997 /nfs/dbraw/zinc/77/99/97/1189779997.db2.gz ZSMTWLOHUDEJJG-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1ccnn1C ZINC001087700818 1189780025 /nfs/dbraw/zinc/78/00/25/1189780025.db2.gz ZSMTWLOHUDEJJG-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1ccnn1C ZINC001087700818 1189780033 /nfs/dbraw/zinc/78/00/33/1189780033.db2.gz ZSMTWLOHUDEJJG-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087750100 1189811376 /nfs/dbraw/zinc/81/13/76/1189811376.db2.gz RPOMMBWPUPZJFX-LSDHHAIUSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087750100 1189811379 /nfs/dbraw/zinc/81/13/79/1189811379.db2.gz RPOMMBWPUPZJFX-LSDHHAIUSA-N 2 2 364.494 0.309 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271144206 1189815717 /nfs/dbraw/zinc/81/57/17/1189815717.db2.gz WSTJBQCFXZXBQB-ZACQAIPSSA-N 2 2 359.474 0.996 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001271144206 1189815719 /nfs/dbraw/zinc/81/57/19/1189815719.db2.gz WSTJBQCFXZXBQB-ZACQAIPSSA-N 2 2 359.474 0.996 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001075820049 1189828595 /nfs/dbraw/zinc/82/85/95/1189828595.db2.gz LLRXIKGNFMLTGE-BHYGNILZSA-N 2 2 371.485 0.573 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001075820049 1189828598 /nfs/dbraw/zinc/82/85/98/1189828598.db2.gz LLRXIKGNFMLTGE-BHYGNILZSA-N 2 2 371.485 0.573 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cnc(C)nc1 ZINC001087836678 1189845173 /nfs/dbraw/zinc/84/51/73/1189845173.db2.gz DCEPCJXUGPFKSK-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cnc(C)nc1 ZINC001087836678 1189845174 /nfs/dbraw/zinc/84/51/74/1189845174.db2.gz DCEPCJXUGPFKSK-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)nc1 ZINC001087836678 1189845175 /nfs/dbraw/zinc/84/51/75/1189845175.db2.gz DCEPCJXUGPFKSK-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)nc1 ZINC001087836678 1189845178 /nfs/dbraw/zinc/84/51/78/1189845178.db2.gz DCEPCJXUGPFKSK-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000895572927 1189866190 /nfs/dbraw/zinc/86/61/90/1189866190.db2.gz WITDLBCSOPVPQO-KRWDZBQOSA-N 2 2 360.458 0.937 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000895572927 1189866194 /nfs/dbraw/zinc/86/61/94/1189866194.db2.gz WITDLBCSOPVPQO-KRWDZBQOSA-N 2 2 360.458 0.937 20 0 FCADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000895686313 1189874084 /nfs/dbraw/zinc/87/40/84/1189874084.db2.gz RCILHPLYWGNBJI-LJQANCHMSA-N 2 2 368.566 0.608 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920130 1189905883 /nfs/dbraw/zinc/90/58/83/1189905883.db2.gz FURGRRBQGNMDFM-NJAFHUGGSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920130 1189905893 /nfs/dbraw/zinc/90/58/93/1189905893.db2.gz FURGRRBQGNMDFM-NJAFHUGGSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920130 1189905906 /nfs/dbraw/zinc/90/59/06/1189905906.db2.gz FURGRRBQGNMDFM-NJAFHUGGSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920130 1189905920 /nfs/dbraw/zinc/90/59/20/1189905920.db2.gz FURGRRBQGNMDFM-NJAFHUGGSA-N 2 2 361.490 0.339 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920576 1189908026 /nfs/dbraw/zinc/90/80/26/1189908026.db2.gz ULTLSXNANAYDPA-VKJFTORMSA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920576 1189908028 /nfs/dbraw/zinc/90/80/28/1189908028.db2.gz ULTLSXNANAYDPA-VKJFTORMSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920576 1189908030 /nfs/dbraw/zinc/90/80/30/1189908030.db2.gz ULTLSXNANAYDPA-VKJFTORMSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920576 1189908031 /nfs/dbraw/zinc/90/80/31/1189908031.db2.gz ULTLSXNANAYDPA-VKJFTORMSA-N 2 2 362.449 0.832 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]4C3)ccn12 ZINC001087966083 1190018713 /nfs/dbraw/zinc/01/87/13/1190018713.db2.gz KKQUFUNSVIJWIA-IMJJTQAJSA-N 2 2 355.442 0.910 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[N@@H+]([C@@H](C)C(N)=O)CC[C@@H]4C3)ccn12 ZINC001087966083 1190018720 /nfs/dbraw/zinc/01/87/20/1190018720.db2.gz KKQUFUNSVIJWIA-IMJJTQAJSA-N 2 2 355.442 0.910 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896562056 1190093570 /nfs/dbraw/zinc/09/35/70/1190093570.db2.gz DBFNRYDFFFLQHX-WDSOQIARSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896562056 1190093575 /nfs/dbraw/zinc/09/35/75/1190093575.db2.gz DBFNRYDFFFLQHX-WDSOQIARSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@H+](C)CCN1C ZINC000896562056 1190093579 /nfs/dbraw/zinc/09/35/79/1190093579.db2.gz DBFNRYDFFFLQHX-WDSOQIARSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896562056 1190093582 /nfs/dbraw/zinc/09/35/82/1190093582.db2.gz DBFNRYDFFFLQHX-WDSOQIARSA-N 2 2 360.502 0.638 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993759 1190144650 /nfs/dbraw/zinc/14/46/50/1190144650.db2.gz BDOZCMRNOCSSKZ-HLLBOEOZSA-N 2 2 369.473 0.870 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993759 1190144652 /nfs/dbraw/zinc/14/46/52/1190144652.db2.gz BDOZCMRNOCSSKZ-HLLBOEOZSA-N 2 2 369.473 0.870 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1)[NH+](C)C ZINC001088011634 1190210645 /nfs/dbraw/zinc/21/06/45/1190210645.db2.gz WKPNSRRPKXGZQX-QLFBSQMISA-N 2 2 363.462 0.734 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1)[NH+](C)C ZINC001088011634 1190210652 /nfs/dbraw/zinc/21/06/52/1190210652.db2.gz WKPNSRRPKXGZQX-QLFBSQMISA-N 2 2 363.462 0.734 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018579 1190230946 /nfs/dbraw/zinc/23/09/46/1190230946.db2.gz CVIQKLBEACFHNB-ZACQAIPSSA-N 2 2 369.473 0.518 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018579 1190230951 /nfs/dbraw/zinc/23/09/51/1190230951.db2.gz CVIQKLBEACFHNB-ZACQAIPSSA-N 2 2 369.473 0.518 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1)NC1CC1 ZINC001088019168 1190232643 /nfs/dbraw/zinc/23/26/43/1190232643.db2.gz ZKFUKKNWPCKMGR-PMPSAXMXSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1)NC1CC1 ZINC001088019168 1190232648 /nfs/dbraw/zinc/23/26/48/1190232648.db2.gz ZKFUKKNWPCKMGR-PMPSAXMXSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1)NC1CC1 ZINC001088019167 1190233262 /nfs/dbraw/zinc/23/32/62/1190233262.db2.gz ZKFUKKNWPCKMGR-OAGGEKHMSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1)NC1CC1 ZINC001088019167 1190233272 /nfs/dbraw/zinc/23/32/72/1190233272.db2.gz ZKFUKKNWPCKMGR-OAGGEKHMSA-N 2 2 371.485 0.504 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088059478 1190328870 /nfs/dbraw/zinc/32/88/70/1190328870.db2.gz DCAAENWRBYGTCF-OAGGEKHMSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088059478 1190328879 /nfs/dbraw/zinc/32/88/79/1190328879.db2.gz DCAAENWRBYGTCF-OAGGEKHMSA-N 2 2 359.474 0.721 20 0 FCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088059352 1190328998 /nfs/dbraw/zinc/32/89/98/1190328998.db2.gz WDJVLHRFSXYPNJ-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088059352 1190329004 /nfs/dbraw/zinc/32/90/04/1190329004.db2.gz WDJVLHRFSXYPNJ-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1)C1CC1 ZINC001088059275 1190329573 /nfs/dbraw/zinc/32/95/73/1190329573.db2.gz RXRCBPHRFSZQIK-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1)C1CC1 ZINC001088059275 1190329582 /nfs/dbraw/zinc/32/95/82/1190329582.db2.gz RXRCBPHRFSZQIK-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088079061 1190446217 /nfs/dbraw/zinc/44/62/17/1190446217.db2.gz KXPYKTFYULEONZ-AOIWGVFYSA-N 2 2 365.518 0.793 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088079061 1190446223 /nfs/dbraw/zinc/44/62/23/1190446223.db2.gz KXPYKTFYULEONZ-AOIWGVFYSA-N 2 2 365.518 0.793 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088079061 1190446227 /nfs/dbraw/zinc/44/62/27/1190446227.db2.gz KXPYKTFYULEONZ-AOIWGVFYSA-N 2 2 365.518 0.793 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088079061 1190446235 /nfs/dbraw/zinc/44/62/35/1190446235.db2.gz KXPYKTFYULEONZ-AOIWGVFYSA-N 2 2 365.518 0.793 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088111838 1190603931 /nfs/dbraw/zinc/60/39/31/1190603931.db2.gz XMBUWNMNULXARZ-YALNPMBYSA-N 2 2 369.473 0.633 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088111838 1190603946 /nfs/dbraw/zinc/60/39/46/1190603946.db2.gz XMBUWNMNULXARZ-YALNPMBYSA-N 2 2 369.473 0.633 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088121631 1190615741 /nfs/dbraw/zinc/61/57/41/1190615741.db2.gz PDFLVGBTVLSSGN-VKJFTORMSA-N 2 2 371.485 0.886 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088121631 1190615745 /nfs/dbraw/zinc/61/57/45/1190615745.db2.gz PDFLVGBTVLSSGN-VKJFTORMSA-N 2 2 371.485 0.886 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130326 1190631740 /nfs/dbraw/zinc/63/17/40/1190631740.db2.gz ITMRVEWMRYUKFH-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130326 1190631747 /nfs/dbraw/zinc/63/17/47/1190631747.db2.gz ITMRVEWMRYUKFH-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000985162476 1190656984 /nfs/dbraw/zinc/65/69/84/1190656984.db2.gz NBJVMNOQGDLCEF-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000985162476 1190656985 /nfs/dbraw/zinc/65/69/85/1190656985.db2.gz NBJVMNOQGDLCEF-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000985163111 1190657410 /nfs/dbraw/zinc/65/74/10/1190657410.db2.gz YNMIWKXHDZNZDW-MXASKKJJSA-N 2 2 361.490 0.799 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000985163111 1190657413 /nfs/dbraw/zinc/65/74/13/1190657413.db2.gz YNMIWKXHDZNZDW-MXASKKJJSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnn(C)n3)C2)O1 ZINC001088334577 1190750036 /nfs/dbraw/zinc/75/00/36/1190750036.db2.gz LIYSPPKGJWXZKE-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnn(C)n3)C2)O1 ZINC001088334577 1190750038 /nfs/dbraw/zinc/75/00/38/1190750038.db2.gz LIYSPPKGJWXZKE-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCOC[C@]3(CC(=O)N(Cc4ncccn4)C3)C2)CC1 ZINC001276756147 1224108215 /nfs/dbraw/zinc/10/82/15/1224108215.db2.gz IYVRURAZSJQSDX-LJQANCHMSA-N 2 2 359.474 0.622 20 0 FCADLP C[NH+]1CCC([N@H+]2CCOC[C@]3(CC(=O)N(Cc4ncccn4)C3)C2)CC1 ZINC001276756147 1224108217 /nfs/dbraw/zinc/10/82/17/1224108217.db2.gz IYVRURAZSJQSDX-LJQANCHMSA-N 2 2 359.474 0.622 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@@H+]2C1CC[NH+](C)CC1 ZINC001276756383 1224111441 /nfs/dbraw/zinc/11/14/41/1224111441.db2.gz OOJZQQYWMJMNCR-QFBILLFUSA-N 2 2 367.490 0.726 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@H+]2C1CC[NH+](C)CC1 ZINC001276756383 1224111442 /nfs/dbraw/zinc/11/14/42/1224111442.db2.gz OOJZQQYWMJMNCR-QFBILLFUSA-N 2 2 367.490 0.726 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986020306 1190867711 /nfs/dbraw/zinc/86/77/11/1190867711.db2.gz LAHYLHXJLDXWJV-CVEARBPZSA-N 2 2 371.485 0.745 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986023785 1190868194 /nfs/dbraw/zinc/86/81/94/1190868194.db2.gz DZKKDXVMFRHJIQ-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986023785 1190868197 /nfs/dbraw/zinc/86/81/97/1190868197.db2.gz DZKKDXVMFRHJIQ-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000986130270 1190901044 /nfs/dbraw/zinc/90/10/44/1190901044.db2.gz JBZGBWJOCZSVSN-CVEARBPZSA-N 2 2 359.474 0.365 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595139 1224115855 /nfs/dbraw/zinc/11/58/55/1224115855.db2.gz LQAGQFUWWUHZEG-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595139 1224115856 /nfs/dbraw/zinc/11/58/56/1224115856.db2.gz LQAGQFUWWUHZEG-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217595139 1224115859 /nfs/dbraw/zinc/11/58/59/1224115859.db2.gz LQAGQFUWWUHZEG-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217595139 1224115861 /nfs/dbraw/zinc/11/58/61/1224115861.db2.gz LQAGQFUWWUHZEG-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP CCN(CC)C(=O)CN1C[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276757445 1224116477 /nfs/dbraw/zinc/11/64/77/1224116477.db2.gz RFVQPNNAPFBNRE-IBGZPJMESA-N 2 2 366.506 0.252 20 0 FCADLP CCN(CC)C(=O)CN1C[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276757445 1224116480 /nfs/dbraw/zinc/11/64/80/1224116480.db2.gz RFVQPNNAPFBNRE-IBGZPJMESA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)CCC1 ZINC000986336739 1190952397 /nfs/dbraw/zinc/95/23/97/1190952397.db2.gz KFYHWSOHESMUCF-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000986412379 1190983114 /nfs/dbraw/zinc/98/31/14/1190983114.db2.gz XAGAXXZNZLZNSN-SJORKVTESA-N 2 2 371.485 0.818 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1)[NH+](C)C ZINC000986418155 1190983385 /nfs/dbraw/zinc/98/33/85/1190983385.db2.gz HWQSDJFAQQEGCR-HLLBOEOZSA-N 2 2 361.490 0.610 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986428840 1190988167 /nfs/dbraw/zinc/98/81/67/1190988167.db2.gz RXXQSANDGLHIRS-CABCVRRESA-N 2 2 357.458 0.355 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986465788 1190997277 /nfs/dbraw/zinc/99/72/77/1190997277.db2.gz MNTHBXTVTDUTMS-CVEARBPZSA-N 2 2 371.485 0.663 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1)[NH+](C)C ZINC000986460605 1191004524 /nfs/dbraw/zinc/00/45/24/1191004524.db2.gz DQESJGDQJZFVGU-SOLBZPMBSA-N 2 2 361.490 0.776 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495077 1191013353 /nfs/dbraw/zinc/01/33/53/1191013353.db2.gz ZIPBHWFDYQIYTC-VHDGCEQUSA-N 2 2 358.446 0.196 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495077 1191013357 /nfs/dbraw/zinc/01/33/57/1191013357.db2.gz ZIPBHWFDYQIYTC-VHDGCEQUSA-N 2 2 358.446 0.196 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495077 1191013360 /nfs/dbraw/zinc/01/33/60/1191013360.db2.gz ZIPBHWFDYQIYTC-VHDGCEQUSA-N 2 2 358.446 0.196 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)C1CCC1 ZINC000986782085 1191095904 /nfs/dbraw/zinc/09/59/04/1191095904.db2.gz OOORZNFITNMFPY-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1 ZINC000988111834 1191150709 /nfs/dbraw/zinc/15/07/09/1191150709.db2.gz XCNWUGRCEMXHBV-VNQPRFMTSA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1 ZINC000988111834 1191150710 /nfs/dbraw/zinc/15/07/10/1191150710.db2.gz XCNWUGRCEMXHBV-VNQPRFMTSA-N 2 2 363.462 0.018 20 0 FCADLP CC(C)=CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276764518 1224133648 /nfs/dbraw/zinc/13/36/48/1224133648.db2.gz WUMHVUPLRBIHJI-QGZVFWFLSA-N 2 2 362.518 0.945 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC001218499326 1224164187 /nfs/dbraw/zinc/16/41/87/1224164187.db2.gz RKZKHILSAHQHQA-KBPBESRZSA-N 3 2 358.446 0.720 20 0 FCADLP C[NH+]1CCN(c2ncccc2NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001218554702 1224172485 /nfs/dbraw/zinc/17/24/85/1224172485.db2.gz AJZFXSGERLOMJI-MRXNPFEDSA-N 3 2 358.490 0.646 20 0 FCADLP CN1CCN(c2ncccc2NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001218554702 1224172494 /nfs/dbraw/zinc/17/24/94/1224172494.db2.gz AJZFXSGERLOMJI-MRXNPFEDSA-N 2 2 358.490 0.646 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550955182 1193822159 /nfs/dbraw/zinc/82/21/59/1193822159.db2.gz BULNZBLGXQUUOI-WBVHZDCISA-N 2 2 373.501 0.821 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550955182 1193822160 /nfs/dbraw/zinc/82/21/60/1193822160.db2.gz BULNZBLGXQUUOI-WBVHZDCISA-N 2 2 373.501 0.821 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000550976845 1193823425 /nfs/dbraw/zinc/82/34/25/1193823425.db2.gz NJTGYEDMIJHQHC-UHFFFAOYSA-N 2 2 361.490 0.678 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000550977665 1193823886 /nfs/dbraw/zinc/82/38/86/1193823886.db2.gz WHSIBLWFUGVQLC-UHFFFAOYSA-N 2 2 361.490 0.726 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000551135232 1193835041 /nfs/dbraw/zinc/83/50/41/1193835041.db2.gz UZWVALVXILCIBL-UHFFFAOYSA-N 2 2 364.490 0.731 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000551135232 1193835043 /nfs/dbraw/zinc/83/50/43/1193835043.db2.gz UZWVALVXILCIBL-UHFFFAOYSA-N 2 2 364.490 0.731 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622871 1193841500 /nfs/dbraw/zinc/84/15/00/1193841500.db2.gz JLAGWYMGAVOTDY-OHDICMOHSA-N 2 2 364.490 0.955 20 0 FCADLP C[NH+]1CCN(c2ncccc2NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001218554700 1224173265 /nfs/dbraw/zinc/17/32/65/1224173265.db2.gz AJZFXSGERLOMJI-INIZCTEOSA-N 3 2 358.490 0.646 20 0 FCADLP CN1CCN(c2ncccc2NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001218554700 1224173269 /nfs/dbraw/zinc/17/32/69/1224173269.db2.gz AJZFXSGERLOMJI-INIZCTEOSA-N 2 2 358.490 0.646 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000551628864 1193864788 /nfs/dbraw/zinc/86/47/88/1193864788.db2.gz WTPARMRRNMUXHO-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000551860862 1193875155 /nfs/dbraw/zinc/87/51/55/1193875155.db2.gz MZSRVGVOYQVJMW-IYBDPMFKSA-N 2 2 365.478 0.395 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000551860862 1193875157 /nfs/dbraw/zinc/87/51/57/1193875157.db2.gz MZSRVGVOYQVJMW-IYBDPMFKSA-N 2 2 365.478 0.395 20 0 FCADLP CCOC(=O)c1oc2nccnc2c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218567473 1224174385 /nfs/dbraw/zinc/17/43/85/1224174385.db2.gz GUMWYYDFAJPKMR-JTQLQIEISA-N 2 2 358.358 0.642 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5cc[nH+]c5C4)[C@@H]3C2)cn1 ZINC001075966268 1193885944 /nfs/dbraw/zinc/88/59/44/1193885944.db2.gz VMCVSEFIIXJOBQ-OKZBNKHCSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5cc[nH+]c5C4)[C@@H]3C2)cn1 ZINC001075966268 1193885945 /nfs/dbraw/zinc/88/59/45/1193885945.db2.gz VMCVSEFIIXJOBQ-OKZBNKHCSA-N 2 2 368.485 0.954 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075975993 1193889865 /nfs/dbraw/zinc/88/98/65/1193889865.db2.gz CUWPAMULFFRNPK-HEHGZKQESA-N 2 2 363.462 0.359 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075975993 1193889866 /nfs/dbraw/zinc/88/98/66/1193889866.db2.gz CUWPAMULFFRNPK-HEHGZKQESA-N 2 2 363.462 0.359 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)no1 ZINC001075975268 1193890122 /nfs/dbraw/zinc/89/01/22/1193890122.db2.gz XFBHMRLXCVOLPF-WMLDXEAASA-N 2 2 358.446 0.779 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)no1 ZINC001075976317 1193890222 /nfs/dbraw/zinc/89/02/22/1193890222.db2.gz VXLNRSNLBLSBAV-XJKSGUPXSA-N 2 2 359.434 0.174 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)no1 ZINC001075976317 1193890224 /nfs/dbraw/zinc/89/02/24/1193890224.db2.gz VXLNRSNLBLSBAV-XJKSGUPXSA-N 2 2 359.434 0.174 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)C1=O ZINC001075976080 1193890337 /nfs/dbraw/zinc/89/03/37/1193890337.db2.gz IKSSZMJJFLEKQD-APHBMKBZSA-N 2 2 361.446 0.113 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)C1=O ZINC001075976080 1193890338 /nfs/dbraw/zinc/89/03/38/1193890338.db2.gz IKSSZMJJFLEKQD-APHBMKBZSA-N 2 2 361.446 0.113 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000552470625 1193932492 /nfs/dbraw/zinc/93/24/92/1193932492.db2.gz AVVMJLYDGLPWMQ-OIISXLGYSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000552470625 1193932496 /nfs/dbraw/zinc/93/24/96/1193932496.db2.gz AVVMJLYDGLPWMQ-OIISXLGYSA-N 2 2 364.490 0.099 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218644994 1224188591 /nfs/dbraw/zinc/18/85/91/1224188591.db2.gz ZNUZPZKOBRNWEA-RYUDHWBXSA-N 2 2 356.390 0.377 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811292 1194072244 /nfs/dbraw/zinc/07/22/44/1194072244.db2.gz VJWXQDGKEZYEPJ-KFWWJZLASA-N 2 2 364.494 0.309 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811292 1194072246 /nfs/dbraw/zinc/07/22/46/1194072246.db2.gz VJWXQDGKEZYEPJ-KFWWJZLASA-N 2 2 364.494 0.309 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811292 1194072251 /nfs/dbraw/zinc/07/22/51/1194072251.db2.gz VJWXQDGKEZYEPJ-KFWWJZLASA-N 2 2 364.494 0.309 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811292 1194072252 /nfs/dbraw/zinc/07/22/52/1194072252.db2.gz VJWXQDGKEZYEPJ-KFWWJZLASA-N 2 2 364.494 0.309 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105674284 1194088514 /nfs/dbraw/zinc/08/85/14/1194088514.db2.gz VLZBGYMHIBLREK-RWQQGDIJSA-N 2 2 364.490 0.886 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000842228917 1194108095 /nfs/dbraw/zinc/10/80/95/1194108095.db2.gz CIJSCPOYOSFOFW-MRXNPFEDSA-N 2 2 355.442 0.933 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001076107031 1194308719 /nfs/dbraw/zinc/30/87/19/1194308719.db2.gz JYHHTDHEALHADL-YESZJQIVSA-N 2 2 358.446 0.064 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001076107031 1194308723 /nfs/dbraw/zinc/30/87/23/1194308723.db2.gz JYHHTDHEALHADL-YESZJQIVSA-N 2 2 358.446 0.064 20 0 FCADLP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001218734537 1224207414 /nfs/dbraw/zinc/20/74/14/1224207414.db2.gz GDZDDAVUSCSULB-MRXNPFEDSA-N 2 2 373.461 0.682 20 0 FCADLP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001218734536 1224207740 /nfs/dbraw/zinc/20/77/40/1224207740.db2.gz GDZDDAVUSCSULB-INIZCTEOSA-N 2 2 373.461 0.682 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076229096 1194361286 /nfs/dbraw/zinc/36/12/86/1194361286.db2.gz XLVAEDSVTQRIQU-OFQRWUPVSA-N 2 2 355.446 0.654 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076229096 1194361291 /nfs/dbraw/zinc/36/12/91/1194361291.db2.gz XLVAEDSVTQRIQU-OFQRWUPVSA-N 2 2 355.446 0.654 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242422 1194369408 /nfs/dbraw/zinc/36/94/08/1194369408.db2.gz DBXIAWVHXOKDBI-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242422 1194369412 /nfs/dbraw/zinc/36/94/12/1194369412.db2.gz DBXIAWVHXOKDBI-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242422 1194369418 /nfs/dbraw/zinc/36/94/18/1194369418.db2.gz DBXIAWVHXOKDBI-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001076242422 1194369423 /nfs/dbraw/zinc/36/94/23/1194369423.db2.gz DBXIAWVHXOKDBI-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365807 1194420519 /nfs/dbraw/zinc/42/05/19/1194420519.db2.gz NTRKIXKWKPPVJK-SOLBZPMBSA-N 2 2 359.474 0.793 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365807 1194420523 /nfs/dbraw/zinc/42/05/23/1194420523.db2.gz NTRKIXKWKPPVJK-SOLBZPMBSA-N 2 2 359.474 0.793 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365517 1194421054 /nfs/dbraw/zinc/42/10/54/1194421054.db2.gz BHXUIQGXUSJPFN-FUHWJXTLSA-N 2 2 359.474 0.540 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365517 1194421057 /nfs/dbraw/zinc/42/10/57/1194421057.db2.gz BHXUIQGXUSJPFN-FUHWJXTLSA-N 2 2 359.474 0.540 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276795363 1224218687 /nfs/dbraw/zinc/21/86/87/1224218687.db2.gz HWMRPAIOKZOGFK-APWZRJJASA-N 2 2 363.506 0.699 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001076461210 1194505972 /nfs/dbraw/zinc/50/59/72/1194505972.db2.gz WFJLQCFBOGVZCD-FUHWJXTLSA-N 2 2 367.453 0.794 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001076461210 1194505979 /nfs/dbraw/zinc/50/59/79/1194505979.db2.gz WFJLQCFBOGVZCD-FUHWJXTLSA-N 2 2 367.453 0.794 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001076461011 1194506495 /nfs/dbraw/zinc/50/64/95/1194506495.db2.gz MIXIETOLKOPPNH-DOTOQJQBSA-N 2 2 357.462 0.404 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001076461011 1194506503 /nfs/dbraw/zinc/50/65/03/1194506503.db2.gz MIXIETOLKOPPNH-DOTOQJQBSA-N 2 2 357.462 0.404 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076463387 1194508188 /nfs/dbraw/zinc/50/81/88/1194508188.db2.gz NFOPVUFBJDXVFT-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076463387 1194508194 /nfs/dbraw/zinc/50/81/94/1194508194.db2.gz NFOPVUFBJDXVFT-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076569364 1194575258 /nfs/dbraw/zinc/57/52/58/1194575258.db2.gz UBSGFYJDYSDJAV-OFQRWUPVSA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076569364 1194575262 /nfs/dbraw/zinc/57/52/62/1194575262.db2.gz UBSGFYJDYSDJAV-OFQRWUPVSA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076569364 1194575267 /nfs/dbraw/zinc/57/52/67/1194575267.db2.gz UBSGFYJDYSDJAV-OFQRWUPVSA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076569364 1194575274 /nfs/dbraw/zinc/57/52/74/1194575274.db2.gz UBSGFYJDYSDJAV-OFQRWUPVSA-N 2 2 361.442 0.633 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576702 1194583060 /nfs/dbraw/zinc/58/30/60/1194583060.db2.gz WNXJMBZMJXSHOH-BHYGNILZSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576702 1194583065 /nfs/dbraw/zinc/58/30/65/1194583065.db2.gz WNXJMBZMJXSHOH-BHYGNILZSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001076599672 1194589760 /nfs/dbraw/zinc/58/97/60/1194589760.db2.gz AKJDXGDHUJRAOV-NWANDNLSSA-N 2 2 358.446 0.740 20 0 FCADLP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795982 1224226647 /nfs/dbraw/zinc/22/66/47/1224226647.db2.gz SWVGXQLLFYMAFL-BEFAXECRSA-N 2 2 368.522 0.281 20 0 FCADLP CN(C)C(=O)CCN1CC[C@@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795982 1224226653 /nfs/dbraw/zinc/22/66/53/1224226653.db2.gz SWVGXQLLFYMAFL-BEFAXECRSA-N 2 2 368.522 0.281 20 0 FCADLP NC[C@@H]([NH3+])c1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)cc1 ZINC001218882275 1224247344 /nfs/dbraw/zinc/24/73/44/1224247344.db2.gz KVSIOAOBAQRCQR-QGZVFWFLSA-N 2 2 367.453 0.943 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839018 1195044947 /nfs/dbraw/zinc/04/49/47/1195044947.db2.gz XFOZGGAWILGQLM-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839018 1195044949 /nfs/dbraw/zinc/04/49/49/1195044949.db2.gz XFOZGGAWILGQLM-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839018 1195044952 /nfs/dbraw/zinc/04/49/52/1195044952.db2.gz XFOZGGAWILGQLM-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839018 1195044955 /nfs/dbraw/zinc/04/49/55/1195044955.db2.gz XFOZGGAWILGQLM-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839005 1195045040 /nfs/dbraw/zinc/04/50/40/1195045040.db2.gz WSBPUADBCZERII-KURKYZTESA-N 2 2 369.506 0.218 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839005 1195045045 /nfs/dbraw/zinc/04/50/45/1195045045.db2.gz WSBPUADBCZERII-KURKYZTESA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839005 1195045049 /nfs/dbraw/zinc/04/50/49/1195045049.db2.gz WSBPUADBCZERII-KURKYZTESA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839005 1195045055 /nfs/dbraw/zinc/04/50/55/1195045055.db2.gz WSBPUADBCZERII-KURKYZTESA-N 2 2 369.506 0.218 20 0 FCADLP [NH3+][C@H](C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)C1CC[NH2+]CC1 ZINC001218925580 1224261970 /nfs/dbraw/zinc/26/19/70/1224261970.db2.gz BTDCZNHBBFQRHH-AWEZNQCLSA-N 2 2 369.385 0.239 20 0 FCADLP C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001218944226 1224268584 /nfs/dbraw/zinc/26/85/84/1224268584.db2.gz ARUVTYSMEXZKGK-NHYWBVRUSA-N 2 2 354.414 0.789 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2O)c[nH+]1 ZINC001077209733 1195322493 /nfs/dbraw/zinc/32/24/93/1195322493.db2.gz WBVUGIBKTUJXKY-HZPDHXFCSA-N 2 2 360.462 0.064 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2O)c[nH+]1 ZINC001077209733 1195322499 /nfs/dbraw/zinc/32/24/99/1195322499.db2.gz WBVUGIBKTUJXKY-HZPDHXFCSA-N 2 2 360.462 0.064 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001218959793 1224273339 /nfs/dbraw/zinc/27/33/39/1224273339.db2.gz VMZZEFBPVSAPKG-ZWKOTPCHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001218959793 1224273343 /nfs/dbraw/zinc/27/33/43/1224273343.db2.gz VMZZEFBPVSAPKG-ZWKOTPCHSA-N 2 2 362.474 0.691 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237266 1195339994 /nfs/dbraw/zinc/33/99/94/1195339994.db2.gz DPAQBQJUDHGXRM-CEXWTWQISA-N 2 2 359.470 0.862 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237266 1195339999 /nfs/dbraw/zinc/33/99/99/1195339999.db2.gz DPAQBQJUDHGXRM-CEXWTWQISA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237266 1195340005 /nfs/dbraw/zinc/34/00/05/1195340005.db2.gz DPAQBQJUDHGXRM-CEXWTWQISA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237266 1195340010 /nfs/dbraw/zinc/34/00/10/1195340010.db2.gz DPAQBQJUDHGXRM-CEXWTWQISA-N 2 2 359.470 0.862 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077258982 1195363037 /nfs/dbraw/zinc/36/30/37/1195363037.db2.gz FFXFVRJYBFRWOU-BRWVUGGUSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077258982 1195363042 /nfs/dbraw/zinc/36/30/42/1195363042.db2.gz FFXFVRJYBFRWOU-BRWVUGGUSA-N 2 2 362.474 0.424 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001219002786 1224282998 /nfs/dbraw/zinc/28/29/98/1224282998.db2.gz BUWCIFGFSZNRRM-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001219002786 1224283007 /nfs/dbraw/zinc/28/30/07/1224283007.db2.gz BUWCIFGFSZNRRM-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001219002786 1224283011 /nfs/dbraw/zinc/28/30/11/1224283011.db2.gz BUWCIFGFSZNRRM-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001219002786 1224283018 /nfs/dbraw/zinc/28/30/18/1224283018.db2.gz BUWCIFGFSZNRRM-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1=O ZINC001077392884 1195490633 /nfs/dbraw/zinc/49/06/33/1195490633.db2.gz WBHFBZQXVWOZOY-BRWVUGGUSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)C1=O ZINC001077392884 1195490639 /nfs/dbraw/zinc/49/06/39/1195490639.db2.gz WBHFBZQXVWOZOY-BRWVUGGUSA-N 2 2 371.441 0.119 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083581652 1195532855 /nfs/dbraw/zinc/53/28/55/1195532855.db2.gz FFXFVRJYBFRWOU-ZACQAIPSSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083581652 1195532861 /nfs/dbraw/zinc/53/28/61/1195532861.db2.gz FFXFVRJYBFRWOU-ZACQAIPSSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083581807 1195533439 /nfs/dbraw/zinc/53/34/39/1195533439.db2.gz KSFSAFZZCUJRCO-KURKYZTESA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083581807 1195533444 /nfs/dbraw/zinc/53/34/44/1195533444.db2.gz KSFSAFZZCUJRCO-KURKYZTESA-N 2 2 354.454 0.850 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)c3cc(C[NH+](C)C)on3)[C@@H](O)C2)C1 ZINC001083590350 1195583425 /nfs/dbraw/zinc/58/34/25/1195583425.db2.gz BTVVWLZBWSXOIG-YCUKKYJWSA-N 2 2 366.462 0.326 20 0 FCADLP Cn1ccc(C2CC[NH+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)n1 ZINC000905721092 1195598498 /nfs/dbraw/zinc/59/84/98/1195598498.db2.gz GPSSREBEQXHENN-UHFFFAOYSA-N 2 2 360.462 0.573 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000906278057 1195621204 /nfs/dbraw/zinc/62/12/04/1195621204.db2.gz RGEHQHUDPQLFCF-KRWDZBQOSA-N 2 2 360.506 0.837 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000906278057 1195621207 /nfs/dbraw/zinc/62/12/07/1195621207.db2.gz RGEHQHUDPQLFCF-KRWDZBQOSA-N 2 2 360.506 0.837 20 0 FCADLP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000906656863 1195642409 /nfs/dbraw/zinc/64/24/09/1195642409.db2.gz IAYANWRFGKHZSX-IAGOWNOFSA-N 2 2 360.458 0.843 20 0 FCADLP CC(C)(C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000906725972 1195656691 /nfs/dbraw/zinc/65/66/91/1195656691.db2.gz UTESYSKMFUQSBB-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033596 1224305891 /nfs/dbraw/zinc/30/58/91/1224305891.db2.gz QVICKOKPTDRBDT-OKZBNKHCSA-N 2 2 369.506 0.291 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033596 1224305899 /nfs/dbraw/zinc/30/58/99/1224305899.db2.gz QVICKOKPTDRBDT-OKZBNKHCSA-N 2 2 369.506 0.291 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000910817073 1195845771 /nfs/dbraw/zinc/84/57/71/1195845771.db2.gz XJETXCLJAIXPHZ-RBUKOAKNSA-N 2 2 370.497 0.741 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000910817073 1195845772 /nfs/dbraw/zinc/84/57/72/1195845772.db2.gz XJETXCLJAIXPHZ-RBUKOAKNSA-N 2 2 370.497 0.741 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067310 1224334241 /nfs/dbraw/zinc/33/42/41/1224334241.db2.gz QBRMYHGLKDPIDT-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219067310 1224334245 /nfs/dbraw/zinc/33/42/45/1224334245.db2.gz QBRMYHGLKDPIDT-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001219067466 1224334326 /nfs/dbraw/zinc/33/43/26/1224334326.db2.gz SODCKWXDWMESDY-DLBZAZTESA-N 2 2 358.446 0.472 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001219067466 1224334335 /nfs/dbraw/zinc/33/43/35/1224334335.db2.gz SODCKWXDWMESDY-DLBZAZTESA-N 2 2 358.446 0.472 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360712 1196321520 /nfs/dbraw/zinc/32/15/20/1196321520.db2.gz NEVGCOFUYWCOFJ-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360712 1196321524 /nfs/dbraw/zinc/32/15/24/1196321524.db2.gz NEVGCOFUYWCOFJ-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2ccnn2C)CC3)O1 ZINC000991360712 1196321530 /nfs/dbraw/zinc/32/15/30/1196321530.db2.gz NEVGCOFUYWCOFJ-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360712 1196321533 /nfs/dbraw/zinc/32/15/33/1196321533.db2.gz NEVGCOFUYWCOFJ-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2C[NH+](CCn3cccn3)C2)CC1 ZINC001030328431 1196679355 /nfs/dbraw/zinc/67/93/55/1196679355.db2.gz IRMPCVGUUWSYCR-MSOLQXFVSA-N 2 2 361.490 0.430 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991725508 1196747487 /nfs/dbraw/zinc/74/74/87/1196747487.db2.gz YIPGXGBODPFUAS-BFYDXBDKSA-N 2 2 371.485 0.433 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991725508 1196747493 /nfs/dbraw/zinc/74/74/93/1196747493.db2.gz YIPGXGBODPFUAS-BFYDXBDKSA-N 2 2 371.485 0.433 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCN1CCCC1=O ZINC001088864719 1196809570 /nfs/dbraw/zinc/80/95/70/1196809570.db2.gz BRSLEUFZCNLUHI-FPCVCCKLSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCN1CCCC1=O ZINC001088864719 1196809572 /nfs/dbraw/zinc/80/95/72/1196809572.db2.gz BRSLEUFZCNLUHI-FPCVCCKLSA-N 2 2 359.474 0.725 20 0 FCADLP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219170742 1224372381 /nfs/dbraw/zinc/37/23/81/1224372381.db2.gz YBFHIODTLABZFU-UHFFFAOYSA-N 2 2 362.430 0.329 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+]1CCn1cncn1 ZINC001088956973 1196847859 /nfs/dbraw/zinc/84/78/59/1196847859.db2.gz BNXMNBUIHBXEHS-ZBFHGGJFSA-N 2 2 366.429 0.752 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+]1CCn1cncn1 ZINC001088956973 1196847860 /nfs/dbraw/zinc/84/78/60/1196847860.db2.gz BNXMNBUIHBXEHS-ZBFHGGJFSA-N 2 2 366.429 0.752 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001088981852 1196856053 /nfs/dbraw/zinc/85/60/53/1196856053.db2.gz PUTFXTHZPHWAOO-DYVFJYSZSA-N 2 2 355.442 0.841 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001088981852 1196856054 /nfs/dbraw/zinc/85/60/54/1196856054.db2.gz PUTFXTHZPHWAOO-DYVFJYSZSA-N 2 2 355.442 0.841 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060684 1196879550 /nfs/dbraw/zinc/87/95/50/1196879550.db2.gz BPGJETOJOQMGTL-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060684 1196879551 /nfs/dbraw/zinc/87/95/51/1196879551.db2.gz BPGJETOJOQMGTL-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060684 1196879552 /nfs/dbraw/zinc/87/95/52/1196879552.db2.gz BPGJETOJOQMGTL-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060684 1196879557 /nfs/dbraw/zinc/87/95/57/1196879557.db2.gz BPGJETOJOQMGTL-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC000992224553 1197025249 /nfs/dbraw/zinc/02/52/49/1197025249.db2.gz WWJYXWLUWJDEMJ-UOSKARGWSA-N 2 2 371.485 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992224553 1197025256 /nfs/dbraw/zinc/02/52/56/1197025256.db2.gz WWJYXWLUWJDEMJ-UOSKARGWSA-N 2 2 371.485 0.869 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)[C@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001272459763 1197087660 /nfs/dbraw/zinc/08/76/60/1197087660.db2.gz NZUWNUBCBRYVNX-JCGIZDLHSA-N 2 2 363.462 0.056 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060421580 1197124165 /nfs/dbraw/zinc/12/41/65/1197124165.db2.gz ZJVSUXQWBMBGKY-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(C2CC2)no1 ZINC001272521638 1197250419 /nfs/dbraw/zinc/25/04/19/1197250419.db2.gz SCVQEXJEQFCRPE-NWANDNLSSA-N 2 2 359.430 0.656 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5[nH+]c[nH]c54)CC3)[C@H]2C1 ZINC001272521985 1197250458 /nfs/dbraw/zinc/25/04/58/1197250458.db2.gz OUZOEPOVJYZFOW-RDBSUJKOSA-N 2 2 357.458 0.498 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5[nH+]c[nH]c54)CC3)[C@H]2C1 ZINC001272521985 1197250468 /nfs/dbraw/zinc/25/04/68/1197250468.db2.gz OUZOEPOVJYZFOW-RDBSUJKOSA-N 2 2 357.458 0.498 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]CCOCCO ZINC001106153412 1197310349 /nfs/dbraw/zinc/31/03/49/1197310349.db2.gz ABUZKPNQVZHIKG-HZPDHXFCSA-N 2 2 364.490 0.455 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000914399688 1197534099 /nfs/dbraw/zinc/53/40/99/1197534099.db2.gz QLLFWTWMMNNNAA-QGZVFWFLSA-N 2 2 362.474 0.901 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000914399688 1197534111 /nfs/dbraw/zinc/53/41/11/1197534111.db2.gz QLLFWTWMMNNNAA-QGZVFWFLSA-N 2 2 362.474 0.901 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000992933051 1197610868 /nfs/dbraw/zinc/61/08/68/1197610868.db2.gz BBGGILWBICPJPC-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000992933051 1197610872 /nfs/dbraw/zinc/61/08/72/1197610872.db2.gz BBGGILWBICPJPC-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992990613 1197646729 /nfs/dbraw/zinc/64/67/29/1197646729.db2.gz FYIAYMMGRIYCSE-NLDJYOPPSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992990613 1197646743 /nfs/dbraw/zinc/64/67/43/1197646743.db2.gz FYIAYMMGRIYCSE-NLDJYOPPSA-N 2 2 373.501 0.989 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1 ZINC000993047154 1197737798 /nfs/dbraw/zinc/73/77/98/1197737798.db2.gz JCIIEPMOYRUOEV-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1 ZINC000993047154 1197737809 /nfs/dbraw/zinc/73/78/09/1197737809.db2.gz JCIIEPMOYRUOEV-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993047154 1197737820 /nfs/dbraw/zinc/73/78/20/1197737820.db2.gz JCIIEPMOYRUOEV-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993047154 1197737836 /nfs/dbraw/zinc/73/78/36/1197737836.db2.gz JCIIEPMOYRUOEV-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)[NH+](C)C ZINC000993079507 1197805007 /nfs/dbraw/zinc/80/50/07/1197805007.db2.gz CISYKNDNNIZHHT-VDZJLULYSA-N 2 2 361.490 0.776 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725409 1197808122 /nfs/dbraw/zinc/80/81/22/1197808122.db2.gz CIKKFNFQXDFLTA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725409 1197808123 /nfs/dbraw/zinc/80/81/23/1197808123.db2.gz CIKKFNFQXDFLTA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725409 1197808124 /nfs/dbraw/zinc/80/81/24/1197808124.db2.gz CIKKFNFQXDFLTA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725409 1197808131 /nfs/dbraw/zinc/80/81/31/1197808131.db2.gz CIKKFNFQXDFLTA-FGTMMUONSA-N 2 2 362.474 0.161 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085308859 1197810366 /nfs/dbraw/zinc/81/03/66/1197810366.db2.gz MHNZYBHTZNRKAK-ZACQAIPSSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085308859 1197810369 /nfs/dbraw/zinc/81/03/69/1197810369.db2.gz MHNZYBHTZNRKAK-ZACQAIPSSA-N 2 2 364.494 0.441 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001085337459 1197831451 /nfs/dbraw/zinc/83/14/51/1197831451.db2.gz BMEMXLVHKXGKSM-KLHDSHLOSA-N 2 2 357.462 0.869 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085352600 1197836649 /nfs/dbraw/zinc/83/66/49/1197836649.db2.gz OOCLXYVRHDXZEB-BZUAXINKSA-N 2 2 363.510 0.990 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085352600 1197836657 /nfs/dbraw/zinc/83/66/57/1197836657.db2.gz OOCLXYVRHDXZEB-BZUAXINKSA-N 2 2 363.510 0.990 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CC[NH+]1CCOCC1 ZINC000735478215 1197853387 /nfs/dbraw/zinc/85/33/87/1197853387.db2.gz ASZSEOMHFDLGSE-QGZVFWFLSA-N 2 2 361.490 0.431 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106308939 1197861666 /nfs/dbraw/zinc/86/16/66/1197861666.db2.gz IJXIFLWZUHAYJG-GDBMZVCRSA-N 2 2 358.446 0.609 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106317631 1197862654 /nfs/dbraw/zinc/86/26/54/1197862654.db2.gz LLNGWNBTEBOBCO-ZYHUDNBSSA-N 2 2 358.402 0.056 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106333720 1197868967 /nfs/dbraw/zinc/86/89/67/1197868967.db2.gz OCKYFWAFIKAXMD-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085396538 1197868991 /nfs/dbraw/zinc/86/89/91/1197868991.db2.gz RIERIYWGUMUTNF-ZIAGYGMSSA-N 2 2 358.450 0.502 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)C2 ZINC001106343250 1197872025 /nfs/dbraw/zinc/87/20/25/1197872025.db2.gz WCMRLBGKEIPKJP-VHDGCEQUSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106343250 1197872026 /nfs/dbraw/zinc/87/20/26/1197872026.db2.gz WCMRLBGKEIPKJP-VHDGCEQUSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1ccc(NCCNC(=O)C(=O)NCCNc2ccc(C)c[nH+]2)[nH+]c1 ZINC000736371461 1197929657 /nfs/dbraw/zinc/92/96/57/1197929657.db2.gz VSYCRIRJXQHFEJ-UHFFFAOYSA-N 2 2 356.430 0.850 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464191 1197945620 /nfs/dbraw/zinc/94/56/20/1197945620.db2.gz LEKKWNSBHSKHKJ-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000993200307 1198020061 /nfs/dbraw/zinc/02/00/61/1198020061.db2.gz FNWRBTMEGFDWFY-UIVXKWKOSA-N 2 2 373.501 0.908 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000993200307 1198020067 /nfs/dbraw/zinc/02/00/67/1198020067.db2.gz FNWRBTMEGFDWFY-UIVXKWKOSA-N 2 2 373.501 0.908 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001106621586 1198037967 /nfs/dbraw/zinc/03/79/67/1198037967.db2.gz SNSRDVKAYQGZIF-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001106621586 1198037977 /nfs/dbraw/zinc/03/79/77/1198037977.db2.gz SNSRDVKAYQGZIF-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219453118 1224474652 /nfs/dbraw/zinc/47/46/52/1224474652.db2.gz IBSWDYGESSQROG-VMGRFDJRSA-N 2 2 366.412 0.953 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453697 1224476491 /nfs/dbraw/zinc/47/64/91/1224476491.db2.gz NNGRWCULOQVGMW-HUUCEWRRSA-N 3 2 366.412 0.810 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@@]1(C)COCC[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504664 1224491075 /nfs/dbraw/zinc/49/10/75/1224491075.db2.gz WASCSTWCWJQHAQ-MSOLQXFVSA-N 2 2 360.414 0.195 20 0 FCADLP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219553033 1224506569 /nfs/dbraw/zinc/50/65/69/1224506569.db2.gz QEGVBUFTZDRJGE-SJORKVTESA-N 2 2 358.442 0.891 20 0 FCADLP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219553033 1224506575 /nfs/dbraw/zinc/50/65/75/1224506575.db2.gz QEGVBUFTZDRJGE-SJORKVTESA-N 2 2 358.442 0.891 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001086482454 1198956111 /nfs/dbraw/zinc/95/61/11/1198956111.db2.gz GVBRJYQPXKDEFF-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP C[NH+]1CCN(c2nc3ccccc3nc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001169067795 1199045266 /nfs/dbraw/zinc/04/52/66/1199045266.db2.gz YMEZBDNLIOSBQL-CQSZACIVSA-N 3 2 367.457 0.429 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCN(C(C)=O)C1)CCC2 ZINC001169550787 1199073590 /nfs/dbraw/zinc/07/35/90/1199073590.db2.gz WJYLYWZOZZIMCN-KRWDZBQOSA-N 2 2 361.490 0.912 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCN(C(C)=O)C1)CCC2 ZINC001169550787 1199073599 /nfs/dbraw/zinc/07/35/99/1199073599.db2.gz WJYLYWZOZZIMCN-KRWDZBQOSA-N 2 2 361.490 0.912 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)C[NH2+]C1 ZINC001219722844 1224576159 /nfs/dbraw/zinc/57/61/59/1224576159.db2.gz GAHSXXZTDOVWTJ-KRWDZBQOSA-N 3 2 360.477 0.916 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1(F)C[NH2+]C1 ZINC001219722844 1224576168 /nfs/dbraw/zinc/57/61/68/1224576168.db2.gz GAHSXXZTDOVWTJ-KRWDZBQOSA-N 3 2 360.477 0.916 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109307937 1200156861 /nfs/dbraw/zinc/15/68/61/1200156861.db2.gz IUXLLCXUBUUSQO-IKGGRYGDSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109307937 1200156869 /nfs/dbraw/zinc/15/68/69/1200156869.db2.gz IUXLLCXUBUUSQO-IKGGRYGDSA-N 2 2 362.474 0.492 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401724 1200250188 /nfs/dbraw/zinc/25/01/88/1200250188.db2.gz DBALCZDQXUPRFD-CVYDXHPNSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401724 1200250192 /nfs/dbraw/zinc/25/01/92/1200250192.db2.gz DBALCZDQXUPRFD-CVYDXHPNSA-N 2 2 366.506 0.201 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402606 1200251131 /nfs/dbraw/zinc/25/11/31/1200251131.db2.gz WGKNBAZFIMKQKC-VUHPKUFZSA-N 2 2 362.518 0.917 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402606 1200251132 /nfs/dbraw/zinc/25/11/32/1200251132.db2.gz WGKNBAZFIMKQKC-VUHPKUFZSA-N 2 2 362.518 0.917 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001109428160 1200271218 /nfs/dbraw/zinc/27/12/18/1200271218.db2.gz PSLGPFXBAHRZLH-CVYDXHPNSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001109428160 1200271226 /nfs/dbraw/zinc/27/12/26/1200271226.db2.gz PSLGPFXBAHRZLH-CVYDXHPNSA-N 2 2 366.506 0.153 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001109463069 1200302674 /nfs/dbraw/zinc/30/26/74/1200302674.db2.gz XINSBXJODDBASZ-MVJTYMMSSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001109463069 1200302678 /nfs/dbraw/zinc/30/26/78/1200302678.db2.gz XINSBXJODDBASZ-MVJTYMMSSA-N 2 2 371.485 0.693 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001109549252 1200375860 /nfs/dbraw/zinc/37/58/60/1200375860.db2.gz RZWRIDZPVHJEFB-UGUYLWEFSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001109549252 1200375867 /nfs/dbraw/zinc/37/58/67/1200375867.db2.gz RZWRIDZPVHJEFB-UGUYLWEFSA-N 2 2 369.473 0.853 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001109581420 1200401771 /nfs/dbraw/zinc/40/17/71/1200401771.db2.gz YUSJQADXPZYMNK-QZWWFDLISA-N 2 2 358.446 0.252 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001109581420 1200401773 /nfs/dbraw/zinc/40/17/73/1200401773.db2.gz YUSJQADXPZYMNK-QZWWFDLISA-N 2 2 358.446 0.252 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589752 1200410552 /nfs/dbraw/zinc/41/05/52/1200410552.db2.gz DAOAGLVFIAXIRI-MQYQWHSLSA-N 2 2 365.478 0.166 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589752 1200410555 /nfs/dbraw/zinc/41/05/55/1200410555.db2.gz DAOAGLVFIAXIRI-MQYQWHSLSA-N 2 2 365.478 0.166 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109670286 1200458494 /nfs/dbraw/zinc/45/84/94/1200458494.db2.gz VQNSXWDQKARDPP-SQNIBIBYSA-N 2 2 358.486 0.976 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109670286 1200458497 /nfs/dbraw/zinc/45/84/97/1200458497.db2.gz VQNSXWDQKARDPP-SQNIBIBYSA-N 2 2 358.486 0.976 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001109719713 1200485096 /nfs/dbraw/zinc/48/50/96/1200485096.db2.gz MTKUZUTWJJRUJR-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001109719713 1200485101 /nfs/dbraw/zinc/48/51/01/1200485101.db2.gz MTKUZUTWJJRUJR-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)C1 ZINC001109719713 1200485105 /nfs/dbraw/zinc/48/51/05/1200485105.db2.gz MTKUZUTWJJRUJR-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)C1 ZINC001109719713 1200485116 /nfs/dbraw/zinc/48/51/16/1200485116.db2.gz MTKUZUTWJJRUJR-IKGGRYGDSA-N 2 2 362.518 0.966 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001109847767 1200560005 /nfs/dbraw/zinc/56/00/05/1200560005.db2.gz GLYVMXRQWACZQV-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001109847767 1200560011 /nfs/dbraw/zinc/56/00/11/1200560011.db2.gz GLYVMXRQWACZQV-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109868283 1200578047 /nfs/dbraw/zinc/57/80/47/1200578047.db2.gz JFNUYXPKHDRBDH-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109868283 1200578051 /nfs/dbraw/zinc/57/80/51/1200578051.db2.gz JFNUYXPKHDRBDH-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001109976033 1200658687 /nfs/dbraw/zinc/65/86/87/1200658687.db2.gz OIEKCRGFBSGPHR-MVJTYMMSSA-N 2 2 374.485 0.959 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001109976033 1200658694 /nfs/dbraw/zinc/65/86/94/1200658694.db2.gz OIEKCRGFBSGPHR-MVJTYMMSSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)C1 ZINC001109976033 1200658700 /nfs/dbraw/zinc/65/87/00/1200658700.db2.gz OIEKCRGFBSGPHR-MVJTYMMSSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)C1 ZINC001109976033 1200658725 /nfs/dbraw/zinc/65/87/25/1200658725.db2.gz OIEKCRGFBSGPHR-MVJTYMMSSA-N 2 2 374.485 0.959 20 0 FCADLP COc1cncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109980593 1200663511 /nfs/dbraw/zinc/66/35/11/1200663511.db2.gz RSDLCDLSRRYXAG-PMPSAXMXSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109980593 1200663522 /nfs/dbraw/zinc/66/35/22/1200663522.db2.gz RSDLCDLSRRYXAG-PMPSAXMXSA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805311 1224624319 /nfs/dbraw/zinc/62/43/19/1224624319.db2.gz AWRZHOIQLRENLN-RYRKJORJSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805311 1224624329 /nfs/dbraw/zinc/62/43/29/1224624329.db2.gz AWRZHOIQLRENLN-RYRKJORJSA-N 2 2 365.449 0.836 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001110022232 1200707496 /nfs/dbraw/zinc/70/74/96/1200707496.db2.gz SRHNYWGPRUWQIP-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001110022232 1200707502 /nfs/dbraw/zinc/70/75/02/1200707502.db2.gz SRHNYWGPRUWQIP-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110022232 1200707508 /nfs/dbraw/zinc/70/75/08/1200707508.db2.gz SRHNYWGPRUWQIP-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110022232 1200707510 /nfs/dbraw/zinc/70/75/10/1200707510.db2.gz SRHNYWGPRUWQIP-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112551743 1200772719 /nfs/dbraw/zinc/77/27/19/1200772719.db2.gz OIKUHEWOZKLGSX-KSSFIOAISA-N 2 2 360.462 0.196 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563009 1200796153 /nfs/dbraw/zinc/79/61/53/1200796153.db2.gz ABHJMEAZBGUHSN-LIRRHRJNSA-N 2 2 361.490 0.994 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(c3cc[nH+]c(C)n3)CC2)CC[N@@H+]1C ZINC001112679525 1200864841 /nfs/dbraw/zinc/86/48/41/1200864841.db2.gz MTVXYCMCMBJQTM-JKSUJKDBSA-N 2 2 361.490 0.963 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(c3cc[nH+]c(C)n3)CC2)CC[N@H+]1C ZINC001112679525 1200864842 /nfs/dbraw/zinc/86/48/42/1200864842.db2.gz MTVXYCMCMBJQTM-JKSUJKDBSA-N 2 2 361.490 0.963 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830060 1224642243 /nfs/dbraw/zinc/64/22/43/1224642243.db2.gz MKLVLTYMQJHLQP-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830060 1224642250 /nfs/dbraw/zinc/64/22/50/1224642250.db2.gz MKLVLTYMQJHLQP-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830060 1224642257 /nfs/dbraw/zinc/64/22/57/1224642257.db2.gz MKLVLTYMQJHLQP-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830060 1224642262 /nfs/dbraw/zinc/64/22/62/1224642262.db2.gz MKLVLTYMQJHLQP-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C[NH+]1CCCC1 ZINC000790187875 1201058585 /nfs/dbraw/zinc/05/85/85/1201058585.db2.gz ITSLPTQQPURIIP-HOTGVXAUSA-N 2 2 361.490 0.974 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000790273091 1201064576 /nfs/dbraw/zinc/06/45/76/1201064576.db2.gz CRKGYZBQSSBUTR-OAGGEKHMSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000790273091 1201064584 /nfs/dbraw/zinc/06/45/84/1201064584.db2.gz CRKGYZBQSSBUTR-OAGGEKHMSA-N 2 2 359.474 0.869 20 0 FCADLP CN1CCC2(CC[NH+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1=O ZINC000790389083 1201071849 /nfs/dbraw/zinc/07/18/49/1201071849.db2.gz PSKPYGHLVFPHKD-IBGZPJMESA-N 2 2 362.474 0.805 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365854 1201073778 /nfs/dbraw/zinc/07/37/78/1201073778.db2.gz HYYWTDZXAMOEEH-LJQANCHMSA-N 3 2 366.506 0.903 20 0 FCADLP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368675 1201074731 /nfs/dbraw/zinc/07/47/31/1201074731.db2.gz OGWZXLAJIFPTGM-QFBILLFUSA-N 2 2 364.490 0.515 20 0 FCADLP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368675 1201074734 /nfs/dbraw/zinc/07/47/34/1201074734.db2.gz OGWZXLAJIFPTGM-QFBILLFUSA-N 2 2 364.490 0.515 20 0 FCADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368670 1201075964 /nfs/dbraw/zinc/07/59/64/1201075964.db2.gz OGWZXLAJIFPTGM-APWZRJJASA-N 2 2 364.490 0.515 20 0 FCADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368670 1201075974 /nfs/dbraw/zinc/07/59/74/1201075974.db2.gz OGWZXLAJIFPTGM-APWZRJJASA-N 2 2 364.490 0.515 20 0 FCADLP NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588627 1201096946 /nfs/dbraw/zinc/09/69/46/1201096946.db2.gz FQTIFUWXVZKGRY-OKZBNKHCSA-N 2 2 356.470 0.398 20 0 FCADLP NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588627 1201096954 /nfs/dbraw/zinc/09/69/54/1201096954.db2.gz FQTIFUWXVZKGRY-OKZBNKHCSA-N 2 2 356.470 0.398 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000793805364 1201266983 /nfs/dbraw/zinc/26/69/83/1201266983.db2.gz GQXJJLZNMMUNLJ-HNNXBMFYSA-N 2 2 368.441 0.545 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000793805364 1201266989 /nfs/dbraw/zinc/26/69/89/1201266989.db2.gz GQXJJLZNMMUNLJ-HNNXBMFYSA-N 2 2 368.441 0.545 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867298 1224661732 /nfs/dbraw/zinc/66/17/32/1224661732.db2.gz LQUCBPHHFJNMBD-OAGGEKHMSA-N 2 2 366.506 0.068 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867298 1224661735 /nfs/dbraw/zinc/66/17/35/1224661735.db2.gz LQUCBPHHFJNMBD-OAGGEKHMSA-N 2 2 366.506 0.068 20 0 FCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412156 1201299805 /nfs/dbraw/zinc/29/98/05/1201299805.db2.gz KYXFPTSDUWGEMK-SJORKVTESA-N 2 2 357.462 0.952 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412156 1201299816 /nfs/dbraw/zinc/29/98/16/1201299816.db2.gz KYXFPTSDUWGEMK-SJORKVTESA-N 2 2 357.462 0.952 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476838 1201323436 /nfs/dbraw/zinc/32/34/36/1201323436.db2.gz TWGYNIIOEHKKIC-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476838 1201323440 /nfs/dbraw/zinc/32/34/40/1201323440.db2.gz TWGYNIIOEHKKIC-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476716 1201323455 /nfs/dbraw/zinc/32/34/55/1201323455.db2.gz OYGNMVNAWYKVMW-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476716 1201323457 /nfs/dbraw/zinc/32/34/57/1201323457.db2.gz OYGNMVNAWYKVMW-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129460222 1201325246 /nfs/dbraw/zinc/32/52/46/1201325246.db2.gz HDGNVYGFWYSDOC-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129460222 1201325249 /nfs/dbraw/zinc/32/52/49/1201325249.db2.gz HDGNVYGFWYSDOC-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129460222 1201325258 /nfs/dbraw/zinc/32/52/58/1201325258.db2.gz HDGNVYGFWYSDOC-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129460222 1201325266 /nfs/dbraw/zinc/32/52/66/1201325266.db2.gz HDGNVYGFWYSDOC-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490673 1201333446 /nfs/dbraw/zinc/33/34/46/1201333446.db2.gz JIESXOCCZTWCQE-CVEARBPZSA-N 2 2 361.450 0.189 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490673 1201333456 /nfs/dbraw/zinc/33/34/56/1201333456.db2.gz JIESXOCCZTWCQE-CVEARBPZSA-N 2 2 361.450 0.189 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086623458 1201348230 /nfs/dbraw/zinc/34/82/30/1201348230.db2.gz FEQRJMUNQAAPCA-IPMKNSEASA-N 2 2 370.497 0.945 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086623458 1201348233 /nfs/dbraw/zinc/34/82/33/1201348233.db2.gz FEQRJMUNQAAPCA-IPMKNSEASA-N 2 2 370.497 0.945 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623677 1201351317 /nfs/dbraw/zinc/35/13/17/1201351317.db2.gz QLOLXOSQXDEVCU-KSZLIROESA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623677 1201351320 /nfs/dbraw/zinc/35/13/20/1201351320.db2.gz QLOLXOSQXDEVCU-KSZLIROESA-N 2 2 358.486 0.930 20 0 FCADLP CC(C)C[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)n1cc[nH+]c1 ZINC001129902413 1201434059 /nfs/dbraw/zinc/43/40/59/1201434059.db2.gz JYFAOJHAAQROPI-OAGGEKHMSA-N 2 2 361.450 0.096 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941191 1201439262 /nfs/dbraw/zinc/43/92/62/1201439262.db2.gz NKAXXWHGEISHBT-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930352 1201445984 /nfs/dbraw/zinc/44/59/84/1201445984.db2.gz FAUNGNDBHHCNFG-LZWOXQAQSA-N 2 2 369.429 0.616 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952103 1201448246 /nfs/dbraw/zinc/44/82/46/1201448246.db2.gz HVOFJBNJZPZNLG-OAGGEKHMSA-N 2 2 361.450 0.067 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902534 1224675726 /nfs/dbraw/zinc/67/57/26/1224675726.db2.gz FARNVOKJDJKBKK-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902534 1224675729 /nfs/dbraw/zinc/67/57/29/1224675729.db2.gz FARNVOKJDJKBKK-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902534 1224675734 /nfs/dbraw/zinc/67/57/34/1224675734.db2.gz FARNVOKJDJKBKK-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902534 1224675738 /nfs/dbraw/zinc/67/57/38/1224675738.db2.gz FARNVOKJDJKBKK-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022838 1201475049 /nfs/dbraw/zinc/47/50/49/1201475049.db2.gz ORAFFRARVHVKBJ-OAGGEKHMSA-N 2 2 361.450 0.504 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130083639 1201492782 /nfs/dbraw/zinc/49/27/82/1201492782.db2.gz DWZPRKXLKPVYIP-KGLIPLIRSA-N 2 2 361.450 0.357 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109784 1201503643 /nfs/dbraw/zinc/50/36/43/1201503643.db2.gz GXUCCRLFFOSIBY-IMJJTQAJSA-N 2 2 361.450 0.021 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(-c3ccccc3)o2)O1 ZINC001130184263 1201536475 /nfs/dbraw/zinc/53/64/75/1201536475.db2.gz ITLLOXFTGCKBGQ-UKRRQHHQSA-N 2 2 359.430 0.662 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(-c3ccccc3)o2)O1 ZINC001130184263 1201536481 /nfs/dbraw/zinc/53/64/81/1201536481.db2.gz ITLLOXFTGCKBGQ-UKRRQHHQSA-N 2 2 359.430 0.662 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130216191 1201547136 /nfs/dbraw/zinc/54/71/36/1201547136.db2.gz QELZPHJXWDVZQT-DZKIICNBSA-N 2 2 366.510 0.878 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1)[NH+](C)C ZINC001130221055 1201551025 /nfs/dbraw/zinc/55/10/25/1201551025.db2.gz REEUHMHARJRNFG-ZNMIVQPWSA-N 2 2 364.494 0.633 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130293205 1201579616 /nfs/dbraw/zinc/57/96/16/1201579616.db2.gz OGLZYYSWJYACAV-QAPCUYQASA-N 2 2 365.453 0.718 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C[NH2+]1 ZINC001219965389 1224704648 /nfs/dbraw/zinc/70/46/48/1224704648.db2.gz LKHVAQQJLGEUQR-HZMVEIRTSA-N 2 2 361.442 0.344 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(C)cc2)N2CCC[NH2+]CC2)C[NH2+]1 ZINC001219968030 1224705601 /nfs/dbraw/zinc/70/56/01/1224705601.db2.gz SWOPEXNRNGLTOX-FGTMMUONSA-N 2 2 374.485 0.351 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978221 1224710310 /nfs/dbraw/zinc/71/03/10/1224710310.db2.gz HGMSSGOUUYPJNY-DLBZAZTESA-N 2 2 356.470 0.766 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978221 1224710315 /nfs/dbraw/zinc/71/03/15/1224710315.db2.gz HGMSSGOUUYPJNY-DLBZAZTESA-N 2 2 356.470 0.766 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130627186 1202736274 /nfs/dbraw/zinc/73/62/74/1202736274.db2.gz YPWYBIFZNHLKIX-GOEBONIOSA-N 2 2 368.441 0.912 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)c1ncccn1 ZINC001130669241 1202751254 /nfs/dbraw/zinc/75/12/54/1202751254.db2.gz BEXZLNUNLAFBCW-YQQAZPJKSA-N 2 2 371.489 0.807 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685520 1202753500 /nfs/dbraw/zinc/75/35/00/1202753500.db2.gz WZFUTJKJLJDXCP-JLJPHGGASA-N 2 2 360.462 0.431 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719213 1202765811 /nfs/dbraw/zinc/76/58/11/1202765811.db2.gz DDPSHDWANRQMKC-HACGYAERSA-N 2 2 360.462 0.613 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739787 1202770992 /nfs/dbraw/zinc/77/09/92/1202770992.db2.gz OLNJKINQXCTHNE-DOTOQJQBSA-N 2 2 360.462 0.627 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2)cc(C)[nH+]1 ZINC001090493558 1202775088 /nfs/dbraw/zinc/77/50/88/1202775088.db2.gz UEUPOGDQWDVTRP-RBSFLKMASA-N 2 2 367.469 0.693 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3c[nH+]cn3C)n2)O1 ZINC001130816007 1202806769 /nfs/dbraw/zinc/80/67/69/1202806769.db2.gz JMFYOQBYVAOVHZ-UONOGXRCSA-N 2 2 361.450 0.617 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001086665700 1202888496 /nfs/dbraw/zinc/88/84/96/1202888496.db2.gz LQPQOCXALUGSGW-NWANDNLSSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001086665700 1202888498 /nfs/dbraw/zinc/88/84/98/1202888498.db2.gz LQPQOCXALUGSGW-NWANDNLSSA-N 2 2 362.478 0.387 20 0 FCADLP Cc1ccncc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610891 1202921087 /nfs/dbraw/zinc/92/10/87/1202921087.db2.gz MQHNKZBSBBWWCF-MSOLQXFVSA-N 2 2 362.474 0.476 20 0 FCADLP CC1(C)CO[C@@H](C[NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001131613921 1202921846 /nfs/dbraw/zinc/92/18/46/1202921846.db2.gz RYRPHCBMEPBKJF-ZACQAIPSSA-N 2 2 369.506 0.387 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCC=CO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000805502500 1203003401 /nfs/dbraw/zinc/00/34/01/1203003401.db2.gz IVXFFCGGESVLBK-IAGOWNOFSA-N 2 2 364.490 0.422 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCC=CO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000805502500 1203003405 /nfs/dbraw/zinc/00/34/05/1203003405.db2.gz IVXFFCGGESVLBK-IAGOWNOFSA-N 2 2 364.490 0.422 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NCc1ccccc1 ZINC001134045473 1203010799 /nfs/dbraw/zinc/01/07/99/1203010799.db2.gz HRVKGIWNKLKZIG-DJIMGWMZSA-N 2 2 369.469 0.934 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)[nH]1 ZINC001086737322 1203063431 /nfs/dbraw/zinc/06/34/31/1203063431.db2.gz FTJGZHLYWRTQKD-SOUVJXGZSA-N 2 2 357.462 0.947 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001086737835 1203064377 /nfs/dbraw/zinc/06/43/77/1203064377.db2.gz YUPLJDAFRMXWEW-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C[NH+](C)C)on3)C2)n1 ZINC001086739065 1203064907 /nfs/dbraw/zinc/06/49/07/1203064907.db2.gz GUCFVPUMQBYMDD-QWHCGFSZSA-N 2 2 361.450 0.553 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC001086758874 1203082385 /nfs/dbraw/zinc/08/23/85/1203082385.db2.gz BAMIWKLQILOTTI-GXTWGEPZSA-N 2 2 354.418 0.546 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220105999 1224765943 /nfs/dbraw/zinc/76/59/43/1224765943.db2.gz WDFXEVUULTVSSU-MSOLQXFVSA-N 2 2 370.453 0.612 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001220105999 1224765946 /nfs/dbraw/zinc/76/59/46/1224765946.db2.gz WDFXEVUULTVSSU-MSOLQXFVSA-N 2 2 370.453 0.612 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)nc(C)[nH+]1 ZINC001090539673 1203208099 /nfs/dbraw/zinc/20/80/99/1203208099.db2.gz LVTHIZFLKGVSGF-HZPDHXFCSA-N 2 2 363.506 0.991 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)nc(C)[nH+]1 ZINC001090539673 1203208110 /nfs/dbraw/zinc/20/81/10/1203208110.db2.gz LVTHIZFLKGVSGF-HZPDHXFCSA-N 2 2 363.506 0.991 20 0 FCADLP Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107642 1203280668 /nfs/dbraw/zinc/28/06/68/1203280668.db2.gz QGOCOEQTBHPBSZ-RUENVJTFSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107642 1203280672 /nfs/dbraw/zinc/28/06/72/1203280672.db2.gz QGOCOEQTBHPBSZ-RUENVJTFSA-N 2 2 373.501 0.975 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCCCCCN2C(=O)C=CC2=O)cc1 ZINC001220127431 1224779566 /nfs/dbraw/zinc/77/95/66/1224779566.db2.gz VCDWFAORIHSALT-MRXNPFEDSA-N 2 2 358.442 0.860 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2[NH2+]CCO)cc1 ZINC001090872344 1203325638 /nfs/dbraw/zinc/32/56/38/1203325638.db2.gz KRSHGXJIXLTGMZ-ZWKOTPCHSA-N 2 2 358.442 0.927 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2[NH2+]CCO)cc1 ZINC001090872344 1203325643 /nfs/dbraw/zinc/32/56/43/1203325643.db2.gz KRSHGXJIXLTGMZ-ZWKOTPCHSA-N 2 2 358.442 0.927 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216702 1224805672 /nfs/dbraw/zinc/80/56/72/1224805672.db2.gz UWROGHWUPNRZGF-FGTMMUONSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216702 1224805676 /nfs/dbraw/zinc/80/56/76/1224805676.db2.gz UWROGHWUPNRZGF-FGTMMUONSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216702 1224805677 /nfs/dbraw/zinc/80/56/77/1224805677.db2.gz UWROGHWUPNRZGF-FGTMMUONSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216702 1224805681 /nfs/dbraw/zinc/80/56/81/1224805681.db2.gz UWROGHWUPNRZGF-FGTMMUONSA-N 2 2 371.522 0.320 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[N@H+](Cc2ccccc2)C1 ZINC001220228254 1224809640 /nfs/dbraw/zinc/80/96/40/1224809640.db2.gz GFEAMKDWLIHPAL-YKCBXCCJSA-N 3 2 372.469 0.142 20 0 FCADLP COC(=O)[C@]1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228254 1224809641 /nfs/dbraw/zinc/80/96/41/1224809641.db2.gz GFEAMKDWLIHPAL-YKCBXCCJSA-N 3 2 372.469 0.142 20 0 FCADLP COCCn1c[nH+]cc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220275245 1224819312 /nfs/dbraw/zinc/81/93/12/1224819312.db2.gz WIZRJZYNNCAAKB-UZLBHIALSA-N 2 2 369.469 0.872 20 0 FCADLP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220296749 1224822667 /nfs/dbraw/zinc/82/26/67/1224822667.db2.gz WWRKQIQVYLFKLQ-NLCWTHGUSA-N 2 2 370.453 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@@H]1O)[NH+](CC)CC ZINC001220342773 1224834477 /nfs/dbraw/zinc/83/44/77/1224834477.db2.gz MLYAVPIFGBNTSJ-ZACQAIPSSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@@H]1O)[NH+](CC)CC ZINC001220342773 1224834478 /nfs/dbraw/zinc/83/44/78/1224834478.db2.gz MLYAVPIFGBNTSJ-ZACQAIPSSA-N 2 2 364.490 0.872 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1O ZINC001091122567 1204524314 /nfs/dbraw/zinc/52/43/14/1204524314.db2.gz ZDPNFJIVFKOQPD-CVEARBPZSA-N 2 2 358.446 0.744 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@@H]1O)[NH+](CC)CC ZINC001220342772 1224834714 /nfs/dbraw/zinc/83/47/14/1224834714.db2.gz MLYAVPIFGBNTSJ-IKGGRYGDSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@@H]1O)[NH+](CC)CC ZINC001220342772 1224834715 /nfs/dbraw/zinc/83/47/15/1224834715.db2.gz MLYAVPIFGBNTSJ-IKGGRYGDSA-N 2 2 364.490 0.872 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001091153725 1204544137 /nfs/dbraw/zinc/54/41/37/1204544137.db2.gz QQKNFFQELNPAHB-XHSDSOJGSA-N 2 2 367.469 0.747 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000846311770 1204613077 /nfs/dbraw/zinc/61/30/77/1204613077.db2.gz YQOPKNCARPGJKY-UHFFFAOYSA-N 2 2 366.462 0.837 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565765 1204727991 /nfs/dbraw/zinc/72/79/91/1204727991.db2.gz YKCFWJPIHCNXQT-SIIHOXLZSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565765 1204727993 /nfs/dbraw/zinc/72/79/93/1204727993.db2.gz YKCFWJPIHCNXQT-SIIHOXLZSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565765 1204727995 /nfs/dbraw/zinc/72/79/95/1204727995.db2.gz YKCFWJPIHCNXQT-SIIHOXLZSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565765 1204727996 /nfs/dbraw/zinc/72/79/96/1204727996.db2.gz YKCFWJPIHCNXQT-SIIHOXLZSA-N 2 2 364.446 0.294 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635810 1204790741 /nfs/dbraw/zinc/79/07/41/1204790741.db2.gz XQKCPXFYSQCSQC-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635810 1204790743 /nfs/dbraw/zinc/79/07/43/1204790743.db2.gz XQKCPXFYSQCSQC-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773674 1204807005 /nfs/dbraw/zinc/80/70/05/1204807005.db2.gz KNMXHJVATQQDRG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773674 1204807007 /nfs/dbraw/zinc/80/70/07/1204807007.db2.gz KNMXHJVATQQDRG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773674 1204807008 /nfs/dbraw/zinc/80/70/08/1204807008.db2.gz KNMXHJVATQQDRG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773674 1204807009 /nfs/dbraw/zinc/80/70/09/1204807009.db2.gz KNMXHJVATQQDRG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666878 1204812759 /nfs/dbraw/zinc/81/27/59/1204812759.db2.gz JOXFLINRYSNAFU-AYBZRNKSSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666878 1204812761 /nfs/dbraw/zinc/81/27/61/1204812761.db2.gz JOXFLINRYSNAFU-AYBZRNKSSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666878 1204812763 /nfs/dbraw/zinc/81/27/63/1204812763.db2.gz JOXFLINRYSNAFU-AYBZRNKSSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666878 1204812765 /nfs/dbraw/zinc/81/27/65/1204812765.db2.gz JOXFLINRYSNAFU-AYBZRNKSSA-N 2 2 360.506 0.968 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670342 1204815742 /nfs/dbraw/zinc/81/57/42/1204815742.db2.gz JHYSVBCNZDJVSP-BEFAXECRSA-N 2 2 355.442 0.783 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670342 1204815745 /nfs/dbraw/zinc/81/57/45/1204815745.db2.gz JHYSVBCNZDJVSP-BEFAXECRSA-N 2 2 355.442 0.783 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)[nH]1 ZINC001091677602 1204818462 /nfs/dbraw/zinc/81/84/62/1204818462.db2.gz PCCWRRQRLZUWIY-MDZRGWNJSA-N 2 2 358.490 0.735 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)[nH]1 ZINC001091677602 1204818464 /nfs/dbraw/zinc/81/84/64/1204818464.db2.gz PCCWRRQRLZUWIY-MDZRGWNJSA-N 2 2 358.490 0.735 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716138 1204831335 /nfs/dbraw/zinc/83/13/35/1204831335.db2.gz KOTWPKNGRLESHK-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716138 1204831339 /nfs/dbraw/zinc/83/13/39/1204831339.db2.gz KOTWPKNGRLESHK-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716138 1204831340 /nfs/dbraw/zinc/83/13/40/1204831340.db2.gz KOTWPKNGRLESHK-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091738079 1204837737 /nfs/dbraw/zinc/83/77/37/1204837737.db2.gz PKTFMIQFNMRCGA-KKVAFCGZSA-N 2 2 371.485 0.819 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091738079 1204837739 /nfs/dbraw/zinc/83/77/39/1204837739.db2.gz PKTFMIQFNMRCGA-KKVAFCGZSA-N 2 2 371.485 0.819 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754739 1204844667 /nfs/dbraw/zinc/84/46/67/1204844667.db2.gz YIDNPCLYTBPJCB-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754739 1204844669 /nfs/dbraw/zinc/84/46/69/1204844669.db2.gz YIDNPCLYTBPJCB-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754739 1204844670 /nfs/dbraw/zinc/84/46/70/1204844670.db2.gz YIDNPCLYTBPJCB-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754739 1204844673 /nfs/dbraw/zinc/84/46/73/1204844673.db2.gz YIDNPCLYTBPJCB-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)no1 ZINC001086880601 1204856150 /nfs/dbraw/zinc/85/61/50/1204856150.db2.gz HDUNWVMZENSSNZ-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)no1 ZINC001086880601 1204856151 /nfs/dbraw/zinc/85/61/51/1204856151.db2.gz HDUNWVMZENSSNZ-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087003972 1204891710 /nfs/dbraw/zinc/89/17/10/1204891710.db2.gz YVDUWQPSUPRLCG-JKSUJKDBSA-N 2 2 368.445 0.204 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059054 1204966251 /nfs/dbraw/zinc/96/62/51/1204966251.db2.gz ONBAFPHKUPEJBX-RHSMWYFYSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087059054 1204966257 /nfs/dbraw/zinc/96/62/57/1204966257.db2.gz ONBAFPHKUPEJBX-RHSMWYFYSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087059109 1204966825 /nfs/dbraw/zinc/96/68/25/1204966825.db2.gz RFMNTZVHJSBMQB-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001087059109 1204966831 /nfs/dbraw/zinc/96/68/31/1204966831.db2.gz RFMNTZVHJSBMQB-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](C)c1cnccn1 ZINC001087088192 1204976298 /nfs/dbraw/zinc/97/62/98/1204976298.db2.gz NGBKJCRVMVJDFT-CKEIUWERSA-N 2 2 358.446 0.957 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087088397 1204977108 /nfs/dbraw/zinc/97/71/08/1204977108.db2.gz WVMFDNPLPWOMAC-UKRRQHHQSA-N 2 2 361.450 0.217 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@@H](C)c1cnccn1 ZINC001087093792 1204986294 /nfs/dbraw/zinc/98/62/94/1204986294.db2.gz CAERZTBBSJCJRM-SQWLQELKSA-N 2 2 358.446 0.957 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087094263 1204987997 /nfs/dbraw/zinc/98/79/97/1204987997.db2.gz ZWNVYTJUJPTOPN-GDBMZVCRSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087098574 1204992179 /nfs/dbraw/zinc/99/21/79/1204992179.db2.gz BUBGOASZUMVSSR-GDBMZVCRSA-N 2 2 360.462 0.647 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087098807 1204994045 /nfs/dbraw/zinc/99/40/45/1204994045.db2.gz OPSRDHTUOFBVGC-UKRRQHHQSA-N 2 2 361.450 0.042 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087099226 1204994157 /nfs/dbraw/zinc/99/41/57/1204994157.db2.gz LKUUEOYGYLMDSW-CZUORRHYSA-N 2 2 362.434 0.389 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087098791 1204994182 /nfs/dbraw/zinc/99/41/82/1204994182.db2.gz NLWFTOOMUJTKNG-UKRRQHHQSA-N 2 2 362.434 0.605 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087101607 1205000301 /nfs/dbraw/zinc/00/03/01/1205000301.db2.gz SSYOARLIKNTKAC-HUUCEWRRSA-N 2 2 362.434 0.536 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087096845 1205004530 /nfs/dbraw/zinc/00/45/30/1205004530.db2.gz HPYKQFSJNRTNPL-SJLPKXTDSA-N 2 2 364.490 0.842 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805619 1205020464 /nfs/dbraw/zinc/02/04/64/1205020464.db2.gz JLIUNAWVJAVFBP-VFVRVIDISA-N 2 2 363.462 0.265 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805619 1205020470 /nfs/dbraw/zinc/02/04/70/1205020470.db2.gz JLIUNAWVJAVFBP-VFVRVIDISA-N 2 2 363.462 0.265 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782939 1205027616 /nfs/dbraw/zinc/02/76/16/1205027616.db2.gz MOGJAGFPIZIFHQ-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782939 1205027624 /nfs/dbraw/zinc/02/76/24/1205027624.db2.gz MOGJAGFPIZIFHQ-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782939 1205027629 /nfs/dbraw/zinc/02/76/29/1205027629.db2.gz MOGJAGFPIZIFHQ-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782939 1205027633 /nfs/dbraw/zinc/02/76/33/1205027633.db2.gz MOGJAGFPIZIFHQ-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)nn1 ZINC001091857826 1205052467 /nfs/dbraw/zinc/05/24/67/1205052467.db2.gz YXZXIPGBQMNNEO-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)nn1 ZINC001091857826 1205052471 /nfs/dbraw/zinc/05/24/71/1205052471.db2.gz YXZXIPGBQMNNEO-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910297 1205069666 /nfs/dbraw/zinc/06/96/66/1205069666.db2.gz QMRAFJDHOKEYRU-BEFAXECRSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910297 1205069672 /nfs/dbraw/zinc/06/96/72/1205069672.db2.gz QMRAFJDHOKEYRU-BEFAXECRSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)cc1=O ZINC001091896760 1205076822 /nfs/dbraw/zinc/07/68/22/1205076822.db2.gz XLNOJTCPSHMKGC-XLIONFOSSA-N 2 2 369.469 0.952 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)cc1=O ZINC001091896760 1205076828 /nfs/dbraw/zinc/07/68/28/1205076828.db2.gz XLNOJTCPSHMKGC-XLIONFOSSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1c1[nH+]cnc2c1cnn2C ZINC001092021110 1205119313 /nfs/dbraw/zinc/11/93/13/1205119313.db2.gz CEMALOMPNHTZNM-OCCSQVGLSA-N 2 2 357.462 0.931 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063504 1205132415 /nfs/dbraw/zinc/13/24/15/1205132415.db2.gz PXAJYTMDEMWLEM-SCTDSRPQSA-N 2 2 365.518 0.793 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063504 1205132418 /nfs/dbraw/zinc/13/24/18/1205132418.db2.gz PXAJYTMDEMWLEM-SCTDSRPQSA-N 2 2 365.518 0.793 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441494 1224873134 /nfs/dbraw/zinc/87/31/34/1224873134.db2.gz DOKMGOUIXRVSOL-XYPHTWIQSA-N 2 2 371.441 0.295 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441494 1224873139 /nfs/dbraw/zinc/87/31/39/1224873139.db2.gz DOKMGOUIXRVSOL-XYPHTWIQSA-N 2 2 371.441 0.295 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092199766 1205194816 /nfs/dbraw/zinc/19/48/16/1205194816.db2.gz ORPCIEIXEAAJCB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092199766 1205194820 /nfs/dbraw/zinc/19/48/20/1205194820.db2.gz ORPCIEIXEAAJCB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092199766 1205194826 /nfs/dbraw/zinc/19/48/26/1205194826.db2.gz ORPCIEIXEAAJCB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092199766 1205194831 /nfs/dbraw/zinc/19/48/31/1205194831.db2.gz ORPCIEIXEAAJCB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092232539 1205205081 /nfs/dbraw/zinc/20/50/81/1205205081.db2.gz QNSXEDYKJMUBOZ-CLCXKQKWSA-N 2 2 369.473 0.820 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092232539 1205205088 /nfs/dbraw/zinc/20/50/88/1205205088.db2.gz QNSXEDYKJMUBOZ-CLCXKQKWSA-N 2 2 369.473 0.820 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272528 1205219862 /nfs/dbraw/zinc/21/98/62/1205219862.db2.gz FMGQZRCPKMNGGK-DAYGRLMNSA-N 2 2 364.469 0.480 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272528 1205219864 /nfs/dbraw/zinc/21/98/64/1205219864.db2.gz FMGQZRCPKMNGGK-DAYGRLMNSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272528 1205219867 /nfs/dbraw/zinc/21/98/67/1205219867.db2.gz FMGQZRCPKMNGGK-DAYGRLMNSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272528 1205219872 /nfs/dbraw/zinc/21/98/72/1205219872.db2.gz FMGQZRCPKMNGGK-DAYGRLMNSA-N 2 2 364.469 0.480 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272986 1205220496 /nfs/dbraw/zinc/22/04/96/1205220496.db2.gz KOAVWRYDBFJHAO-LBTNJELSSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272986 1205220503 /nfs/dbraw/zinc/22/05/03/1205220503.db2.gz KOAVWRYDBFJHAO-LBTNJELSSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272986 1205220507 /nfs/dbraw/zinc/22/05/07/1205220507.db2.gz KOAVWRYDBFJHAO-LBTNJELSSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272986 1205220513 /nfs/dbraw/zinc/22/05/13/1205220513.db2.gz KOAVWRYDBFJHAO-LBTNJELSSA-N 2 2 362.478 0.368 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092276094 1205223521 /nfs/dbraw/zinc/22/35/21/1205223521.db2.gz CTZJBYZCQUTUGP-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092276094 1205223523 /nfs/dbraw/zinc/22/35/23/1205223523.db2.gz CTZJBYZCQUTUGP-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001092278183 1205224626 /nfs/dbraw/zinc/22/46/26/1205224626.db2.gz JASHBPKXSZAADM-SIIHOXLZSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001092278183 1205224627 /nfs/dbraw/zinc/22/46/27/1205224627.db2.gz JASHBPKXSZAADM-SIIHOXLZSA-N 2 2 357.462 0.862 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)nn1 ZINC001092319597 1205246996 /nfs/dbraw/zinc/24/69/96/1205246996.db2.gz SUIQNYMUQPCYQC-KDOFPFPSSA-N 2 2 356.430 0.662 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)nn1 ZINC001092319597 1205247002 /nfs/dbraw/zinc/24/70/02/1205247002.db2.gz SUIQNYMUQPCYQC-KDOFPFPSSA-N 2 2 356.430 0.662 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319570 1205247219 /nfs/dbraw/zinc/24/72/19/1205247219.db2.gz RNXWVBMYSAHCDD-MDZRGWNJSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319570 1205247224 /nfs/dbraw/zinc/24/72/24/1205247224.db2.gz RNXWVBMYSAHCDD-MDZRGWNJSA-N 2 2 359.474 0.673 20 0 FCADLP COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220454215 1224877944 /nfs/dbraw/zinc/87/79/44/1224877944.db2.gz QXECQAYWLRKAOU-HOTGVXAUSA-N 2 2 360.414 0.165 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523036 1205302509 /nfs/dbraw/zinc/30/25/09/1205302509.db2.gz YMWMWAUNVFRABE-FVQBIDKESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523036 1205302510 /nfs/dbraw/zinc/30/25/10/1205302510.db2.gz YMWMWAUNVFRABE-FVQBIDKESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523036 1205302511 /nfs/dbraw/zinc/30/25/11/1205302511.db2.gz YMWMWAUNVFRABE-FVQBIDKESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523036 1205302512 /nfs/dbraw/zinc/30/25/12/1205302512.db2.gz YMWMWAUNVFRABE-FVQBIDKESA-N 2 2 364.494 0.121 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]3C)ccn12 ZINC001092608023 1205319353 /nfs/dbraw/zinc/31/93/53/1205319353.db2.gz HZOKEYIMBGWOKH-DAXOMENPSA-N 2 2 355.442 0.829 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]3C)ccn12 ZINC001092608023 1205319356 /nfs/dbraw/zinc/31/93/56/1205319356.db2.gz HZOKEYIMBGWOKH-DAXOMENPSA-N 2 2 355.442 0.829 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092696579 1205342145 /nfs/dbraw/zinc/34/21/45/1205342145.db2.gz YZVDOFOSKHWSCG-KBUPBQIOSA-N 2 2 373.457 0.346 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092696579 1205342149 /nfs/dbraw/zinc/34/21/49/1205342149.db2.gz YZVDOFOSKHWSCG-KBUPBQIOSA-N 2 2 373.457 0.346 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092696579 1205342154 /nfs/dbraw/zinc/34/21/54/1205342154.db2.gz YZVDOFOSKHWSCG-KBUPBQIOSA-N 2 2 373.457 0.346 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092696579 1205342159 /nfs/dbraw/zinc/34/21/59/1205342159.db2.gz YZVDOFOSKHWSCG-KBUPBQIOSA-N 2 2 373.457 0.346 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092741700 1205350078 /nfs/dbraw/zinc/35/00/78/1205350078.db2.gz IWCCBWPBMXRNRZ-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092741700 1205350080 /nfs/dbraw/zinc/35/00/80/1205350080.db2.gz IWCCBWPBMXRNRZ-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753671 1205351471 /nfs/dbraw/zinc/35/14/71/1205351471.db2.gz QHZUBDGRJXCOEK-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753671 1205351474 /nfs/dbraw/zinc/35/14/74/1205351474.db2.gz QHZUBDGRJXCOEK-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478654 1224885300 /nfs/dbraw/zinc/88/53/00/1224885300.db2.gz GKHSLHKKLQGLCT-BMFZPTHFSA-N 2 2 368.522 0.183 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478654 1224885307 /nfs/dbraw/zinc/88/53/07/1224885307.db2.gz GKHSLHKKLQGLCT-BMFZPTHFSA-N 2 2 368.522 0.183 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909207 1205940212 /nfs/dbraw/zinc/94/02/12/1205940212.db2.gz DWRNNTCFNRXXQF-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909207 1205940215 /nfs/dbraw/zinc/94/02/15/1205940215.db2.gz DWRNNTCFNRXXQF-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909207 1205940219 /nfs/dbraw/zinc/94/02/19/1205940219.db2.gz DWRNNTCFNRXXQF-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909207 1205940223 /nfs/dbraw/zinc/94/02/23/1205940223.db2.gz DWRNNTCFNRXXQF-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911523 1205941107 /nfs/dbraw/zinc/94/11/07/1205941107.db2.gz SPRVDZRCLURVRG-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911523 1205941108 /nfs/dbraw/zinc/94/11/08/1205941108.db2.gz SPRVDZRCLURVRG-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911523 1205941109 /nfs/dbraw/zinc/94/11/09/1205941109.db2.gz SPRVDZRCLURVRG-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911523 1205941111 /nfs/dbraw/zinc/94/11/11/1205941111.db2.gz SPRVDZRCLURVRG-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212691 1206060693 /nfs/dbraw/zinc/06/06/93/1206060693.db2.gz PJYSLVGIJONIAW-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212691 1206060696 /nfs/dbraw/zinc/06/06/96/1206060696.db2.gz PJYSLVGIJONIAW-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212691 1206060699 /nfs/dbraw/zinc/06/06/99/1206060699.db2.gz PJYSLVGIJONIAW-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212691 1206060701 /nfs/dbraw/zinc/06/07/01/1206060701.db2.gz PJYSLVGIJONIAW-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093279972 1206071029 /nfs/dbraw/zinc/07/10/29/1206071029.db2.gz ALLVBCVGWILAIG-BZUAXINKSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093289414 1206074016 /nfs/dbraw/zinc/07/40/16/1206074016.db2.gz QVVIUVLXZIPKND-KFWWJZLASA-N 2 2 361.490 0.992 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148384 1206101208 /nfs/dbraw/zinc/10/12/08/1206101208.db2.gz XVZRDPFXKUYKDY-ILXRZTDVSA-N 2 2 365.478 0.040 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148384 1206101216 /nfs/dbraw/zinc/10/12/16/1206101216.db2.gz XVZRDPFXKUYKDY-ILXRZTDVSA-N 2 2 365.478 0.040 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690700 1206101539 /nfs/dbraw/zinc/10/15/39/1206101539.db2.gz CCDYOCMAXYJQFN-BZUAXINKSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690700 1206101542 /nfs/dbraw/zinc/10/15/42/1206101542.db2.gz CCDYOCMAXYJQFN-BZUAXINKSA-N 2 2 364.494 0.374 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093824087 1206124367 /nfs/dbraw/zinc/12/43/67/1206124367.db2.gz GIFDELHLGNOQQI-MGPQQGTHSA-N 2 2 358.450 0.168 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093871917 1206138309 /nfs/dbraw/zinc/13/83/09/1206138309.db2.gz ZRVVBCUQJIVYIO-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093871252 1206138394 /nfs/dbraw/zinc/13/83/94/1206138394.db2.gz HRHWWQZQQCDQJF-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001093871257 1206138475 /nfs/dbraw/zinc/13/84/75/1206138475.db2.gz HVONWAXYRIKAFE-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093879454 1206141717 /nfs/dbraw/zinc/14/17/17/1206141717.db2.gz WJRDCFJXYITDDZ-CHWSQXEVSA-N 2 2 361.450 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093879423 1206141734 /nfs/dbraw/zinc/14/17/34/1206141734.db2.gz UXWOPFSJOYGYQV-CHWSQXEVSA-N 2 2 361.450 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001093951294 1206157316 /nfs/dbraw/zinc/15/73/16/1206157316.db2.gz FLVUTSHNRRCKFC-BRWVUGGUSA-N 2 2 361.490 0.874 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001093934481 1206161822 /nfs/dbraw/zinc/16/18/22/1206161822.db2.gz SQXHWYGKSADDPI-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001094080818 1206181460 /nfs/dbraw/zinc/18/14/60/1206181460.db2.gz LIMOBMPSVXPYIJ-ZIAGYGMSSA-N 2 2 360.466 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001094166214 1206197989 /nfs/dbraw/zinc/19/79/89/1206197989.db2.gz RVKPYQKOAKSVBH-CHWSQXEVSA-N 2 2 361.450 0.296 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094196642 1206206350 /nfs/dbraw/zinc/20/63/50/1206206350.db2.gz OQLQROSTQKTDFV-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001094196604 1206206417 /nfs/dbraw/zinc/20/64/17/1206206417.db2.gz NNMYHQAHXPREPA-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001094244111 1206209977 /nfs/dbraw/zinc/20/99/77/1206209977.db2.gz DWDXMNDWSYTTMV-FRFSOERESA-N 2 2 358.446 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001094254098 1206211348 /nfs/dbraw/zinc/21/13/48/1206211348.db2.gz SGVXJHGVXVYSPT-ZIAGYGMSSA-N 2 2 360.466 0.509 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001094253940 1206211509 /nfs/dbraw/zinc/21/15/09/1206211509.db2.gz NIWIRQHLPNOKTB-MGPQQGTHSA-N 2 2 362.434 0.858 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1=O ZINC001172041740 1206256332 /nfs/dbraw/zinc/25/63/32/1206256332.db2.gz UGBGOGFMPHYCIU-QGZVFWFLSA-N 2 2 360.506 0.457 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1=O ZINC001172041740 1206256337 /nfs/dbraw/zinc/25/63/37/1206256337.db2.gz UGBGOGFMPHYCIU-QGZVFWFLSA-N 2 2 360.506 0.457 20 0 FCADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001172257053 1206260568 /nfs/dbraw/zinc/26/05/68/1206260568.db2.gz KEUHZFYIDLDUAK-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP COCCC[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001172257053 1206260574 /nfs/dbraw/zinc/26/05/74/1206260574.db2.gz KEUHZFYIDLDUAK-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CO[C@H]1CCC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172930487 1206264457 /nfs/dbraw/zinc/26/44/57/1206264457.db2.gz RDLKAWWFKKWBCW-OEAJRASXSA-N 2 2 363.462 0.359 20 0 FCADLP Cc1ccc(N(C(=O)Cc2c[nH]c[nH+]2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001176828591 1206321243 /nfs/dbraw/zinc/32/12/43/1206321243.db2.gz BOMXLVASKIMWNA-MAUKXSAKSA-N 2 2 356.430 0.995 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177210684 1206331477 /nfs/dbraw/zinc/33/14/77/1206331477.db2.gz SXFZERTZJBBIKP-KRWDZBQOSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177210684 1206331480 /nfs/dbraw/zinc/33/14/80/1206331480.db2.gz SXFZERTZJBBIKP-KRWDZBQOSA-N 2 2 360.458 0.609 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220584915 1224949724 /nfs/dbraw/zinc/94/97/24/1224949724.db2.gz OKCCVLKOFAMBNL-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220584915 1224949733 /nfs/dbraw/zinc/94/97/33/1224949733.db2.gz OKCCVLKOFAMBNL-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001178692890 1206362358 /nfs/dbraw/zinc/36/23/58/1206362358.db2.gz UWROWXFEVOJNIV-QFBILLFUSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001178692890 1206362360 /nfs/dbraw/zinc/36/23/60/1206362360.db2.gz UWROWXFEVOJNIV-QFBILLFUSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001178692890 1206362361 /nfs/dbraw/zinc/36/23/61/1206362361.db2.gz UWROWXFEVOJNIV-QFBILLFUSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001178692890 1206362362 /nfs/dbraw/zinc/36/23/62/1206362362.db2.gz UWROWXFEVOJNIV-QFBILLFUSA-N 2 2 366.506 0.158 20 0 FCADLP Nc1cc(CC(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)cc[nH+]1 ZINC001181263294 1206407288 /nfs/dbraw/zinc/40/72/88/1206407288.db2.gz HYDPDOBFDTZXHD-UHFFFAOYSA-N 2 2 355.442 0.959 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220584859 1224950695 /nfs/dbraw/zinc/95/06/95/1224950695.db2.gz MOPBNPUCPZMZPI-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220584859 1224950704 /nfs/dbraw/zinc/95/07/04/1224950704.db2.gz MOPBNPUCPZMZPI-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP C[NH+]1CCC(O)(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)CC1 ZINC001182030758 1206418785 /nfs/dbraw/zinc/41/87/85/1206418785.db2.gz GRJYEIWPPMTAEA-MRXNPFEDSA-N 2 2 362.474 0.725 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001182031061 1206419300 /nfs/dbraw/zinc/41/93/00/1206419300.db2.gz KJEXACXLGGIWHO-UHFFFAOYSA-N 2 2 363.506 0.867 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599769 1224958449 /nfs/dbraw/zinc/95/84/49/1224958449.db2.gz LEYMLQKHDIUGQI-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599769 1224958455 /nfs/dbraw/zinc/95/84/55/1224958455.db2.gz LEYMLQKHDIUGQI-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001186051185 1206492237 /nfs/dbraw/zinc/49/22/37/1206492237.db2.gz XJKMBEQTCLLFTC-QGZVFWFLSA-N 2 2 362.474 0.763 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001186051185 1206492239 /nfs/dbraw/zinc/49/22/39/1206492239.db2.gz XJKMBEQTCLLFTC-QGZVFWFLSA-N 2 2 362.474 0.763 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cccnc2N2CC[NH+](C)CC2)C1 ZINC001186099305 1206492958 /nfs/dbraw/zinc/49/29/58/1206492958.db2.gz PQINMCKZRFKOIJ-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cccnc2N2CC[NH+](C)CC2)C1 ZINC001186099305 1206492961 /nfs/dbraw/zinc/49/29/61/1206492961.db2.gz PQINMCKZRFKOIJ-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618292 1224971463 /nfs/dbraw/zinc/97/14/63/1224971463.db2.gz NLCQIGYQLJRYMB-SJORKVTESA-N 2 2 359.430 0.467 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](O)C1 ZINC001220618292 1224971476 /nfs/dbraw/zinc/97/14/76/1224971476.db2.gz NLCQIGYQLJRYMB-SJORKVTESA-N 2 2 359.430 0.467 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187706146 1207385664 /nfs/dbraw/zinc/38/56/64/1207385664.db2.gz DYSXBDIWJNRPGY-YESZJQIVSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187706146 1207385666 /nfs/dbraw/zinc/38/56/66/1207385666.db2.gz DYSXBDIWJNRPGY-YESZJQIVSA-N 2 2 364.490 0.909 20 0 FCADLP Cc1c[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001187797507 1207392871 /nfs/dbraw/zinc/39/28/71/1207392871.db2.gz PRWIRYUUZPWQFG-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP Cc1c[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001187797507 1207392877 /nfs/dbraw/zinc/39/28/77/1207392877.db2.gz PRWIRYUUZPWQFG-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205287 1207434066 /nfs/dbraw/zinc/43/40/66/1207434066.db2.gz JMQFLLMQDYYKPJ-HRCADAONSA-N 2 2 359.474 0.772 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205287 1207434067 /nfs/dbraw/zinc/43/40/67/1207434067.db2.gz JMQFLLMQDYYKPJ-HRCADAONSA-N 2 2 359.474 0.772 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189167341 1207520125 /nfs/dbraw/zinc/52/01/25/1207520125.db2.gz JAVKEEAGUWILBF-KLZNWCGWSA-N 2 2 373.501 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189167341 1207520129 /nfs/dbraw/zinc/52/01/29/1207520129.db2.gz JAVKEEAGUWILBF-KLZNWCGWSA-N 2 2 373.501 0.971 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167550 1207520877 /nfs/dbraw/zinc/52/08/77/1207520877.db2.gz TVGKSGGDZQSSEO-KLZNWCGWSA-N 2 2 359.474 0.535 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167550 1207520880 /nfs/dbraw/zinc/52/08/80/1207520880.db2.gz TVGKSGGDZQSSEO-KLZNWCGWSA-N 2 2 359.474 0.535 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)CC1 ZINC001220668008 1225002127 /nfs/dbraw/zinc/00/21/27/1225002127.db2.gz VPUUVFVTHVBWHF-CVEARBPZSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)CC1 ZINC001220668008 1225002135 /nfs/dbraw/zinc/00/21/35/1225002135.db2.gz VPUUVFVTHVBWHF-CVEARBPZSA-N 2 2 368.522 0.183 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486346 1207688026 /nfs/dbraw/zinc/68/80/26/1207688026.db2.gz CBLPCVNILONVPN-BPQIPLTHSA-N 2 2 358.486 0.786 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486346 1207688035 /nfs/dbraw/zinc/68/80/35/1207688035.db2.gz CBLPCVNILONVPN-BPQIPLTHSA-N 2 2 358.486 0.786 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486346 1207688038 /nfs/dbraw/zinc/68/80/38/1207688038.db2.gz CBLPCVNILONVPN-BPQIPLTHSA-N 2 2 358.486 0.786 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486346 1207688043 /nfs/dbraw/zinc/68/80/43/1207688043.db2.gz CBLPCVNILONVPN-BPQIPLTHSA-N 2 2 358.486 0.786 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689242 1225015900 /nfs/dbraw/zinc/01/59/00/1225015900.db2.gz BGEPXLDJTUGMNS-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689242 1225015913 /nfs/dbraw/zinc/01/59/13/1225015913.db2.gz BGEPXLDJTUGMNS-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689242 1225015922 /nfs/dbraw/zinc/01/59/22/1225015922.db2.gz BGEPXLDJTUGMNS-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689242 1225015933 /nfs/dbraw/zinc/01/59/33/1225015933.db2.gz BGEPXLDJTUGMNS-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Nc3ccccn3)CC2)C1=O ZINC001191311495 1207769843 /nfs/dbraw/zinc/76/98/43/1207769843.db2.gz GFSSXKQTKSLOFM-UHFFFAOYSA-N 2 2 374.489 0.784 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Nc3ccccn3)CC2)C1=O ZINC001191311495 1207769854 /nfs/dbraw/zinc/76/98/54/1207769854.db2.gz GFSSXKQTKSLOFM-UHFFFAOYSA-N 2 2 374.489 0.784 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014692 1207816379 /nfs/dbraw/zinc/81/63/79/1207816379.db2.gz QWDYUVXPKSCWKJ-SXRHLJITSA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014692 1207816382 /nfs/dbraw/zinc/81/63/82/1207816382.db2.gz QWDYUVXPKSCWKJ-SXRHLJITSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014692 1207816383 /nfs/dbraw/zinc/81/63/83/1207816383.db2.gz QWDYUVXPKSCWKJ-SXRHLJITSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014692 1207816385 /nfs/dbraw/zinc/81/63/85/1207816385.db2.gz QWDYUVXPKSCWKJ-SXRHLJITSA-N 2 2 359.470 0.582 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001192580490 1207838341 /nfs/dbraw/zinc/83/83/41/1207838341.db2.gz GABIDWJKISZTLL-ARFHVFGLSA-N 2 2 366.462 0.089 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001192580490 1207838343 /nfs/dbraw/zinc/83/83/43/1207838343.db2.gz GABIDWJKISZTLL-ARFHVFGLSA-N 2 2 366.462 0.089 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192580500 1207838500 /nfs/dbraw/zinc/83/85/00/1207838500.db2.gz GFTLTEBEVSTIER-IAGOWNOFSA-N 2 2 358.442 0.755 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192580500 1207838502 /nfs/dbraw/zinc/83/85/02/1207838502.db2.gz GFTLTEBEVSTIER-IAGOWNOFSA-N 2 2 358.442 0.755 20 0 FCADLP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001192580675 1207838592 /nfs/dbraw/zinc/83/85/92/1207838592.db2.gz JSICLPXBZVFIBH-IAGOWNOFSA-N 2 2 358.442 0.891 20 0 FCADLP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001192580675 1207838593 /nfs/dbraw/zinc/83/85/93/1207838593.db2.gz JSICLPXBZVFIBH-IAGOWNOFSA-N 2 2 358.442 0.891 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)cc1 ZINC001193738434 1207886728 /nfs/dbraw/zinc/88/67/28/1207886728.db2.gz UYLPEQQLURIFMY-GUDVDZBRSA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)cc1 ZINC001193738434 1207886729 /nfs/dbraw/zinc/88/67/29/1207886729.db2.gz UYLPEQQLURIFMY-GUDVDZBRSA-N 2 2 371.485 0.483 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O)C1CC1 ZINC001193791420 1207889489 /nfs/dbraw/zinc/88/94/89/1207889489.db2.gz MANJTERMIHPIDT-NUJGCVRESA-N 2 2 365.449 0.706 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)C1CC1 ZINC001193791420 1207889490 /nfs/dbraw/zinc/88/94/90/1207889490.db2.gz MANJTERMIHPIDT-NUJGCVRESA-N 2 2 365.449 0.706 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745920 1207889963 /nfs/dbraw/zinc/88/99/63/1207889963.db2.gz JWUYGKSUENNDME-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745920 1207889964 /nfs/dbraw/zinc/88/99/64/1207889964.db2.gz JWUYGKSUENNDME-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001193757347 1207890416 /nfs/dbraw/zinc/89/04/16/1207890416.db2.gz ZMVDUSSEQDZWJJ-IXDOHACOSA-N 2 2 362.474 0.739 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001193757347 1207890420 /nfs/dbraw/zinc/89/04/20/1207890420.db2.gz ZMVDUSSEQDZWJJ-IXDOHACOSA-N 2 2 362.474 0.739 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(C)C ZINC001193755181 1207890453 /nfs/dbraw/zinc/89/04/53/1207890453.db2.gz HFBPABVVRAZFRS-HZPDHXFCSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C(C)C ZINC001193755181 1207890454 /nfs/dbraw/zinc/89/04/54/1207890454.db2.gz HFBPABVVRAZFRS-HZPDHXFCSA-N 2 2 368.522 0.277 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O ZINC001193757281 1207890615 /nfs/dbraw/zinc/89/06/15/1207890615.db2.gz YGILCPWJZQHJAC-IXDOHACOSA-N 2 2 365.522 0.801 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O ZINC001193757281 1207890616 /nfs/dbraw/zinc/89/06/16/1207890616.db2.gz YGILCPWJZQHJAC-IXDOHACOSA-N 2 2 365.522 0.801 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892330 1207896875 /nfs/dbraw/zinc/89/68/75/1207896875.db2.gz JZTHOIIYBNORFF-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892330 1207896877 /nfs/dbraw/zinc/89/68/77/1207896877.db2.gz JZTHOIIYBNORFF-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892330 1207896878 /nfs/dbraw/zinc/89/68/78/1207896878.db2.gz JZTHOIIYBNORFF-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892330 1207896880 /nfs/dbraw/zinc/89/68/80/1207896880.db2.gz JZTHOIIYBNORFF-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892066 1207896992 /nfs/dbraw/zinc/89/69/92/1207896992.db2.gz CUPRXMUTJMPGPT-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892066 1207896995 /nfs/dbraw/zinc/89/69/95/1207896995.db2.gz CUPRXMUTJMPGPT-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892066 1207896996 /nfs/dbraw/zinc/89/69/96/1207896996.db2.gz CUPRXMUTJMPGPT-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001193892066 1207896997 /nfs/dbraw/zinc/89/69/97/1207896997.db2.gz CUPRXMUTJMPGPT-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)[NH+](C)C ZINC001194095766 1207918364 /nfs/dbraw/zinc/91/83/64/1207918364.db2.gz OYLOGZWIGFZYCL-BZUAXINKSA-N 2 2 363.458 0.459 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001194264888 1207929010 /nfs/dbraw/zinc/92/90/10/1207929010.db2.gz ISHLEDGTISEZHE-BRWVUGGUSA-N 2 2 367.465 0.751 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001194264888 1207929012 /nfs/dbraw/zinc/92/90/12/1207929012.db2.gz ISHLEDGTISEZHE-BRWVUGGUSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001194264888 1207929014 /nfs/dbraw/zinc/92/90/14/1207929014.db2.gz ISHLEDGTISEZHE-BRWVUGGUSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001194264888 1207929017 /nfs/dbraw/zinc/92/90/17/1207929017.db2.gz ISHLEDGTISEZHE-BRWVUGGUSA-N 2 2 367.465 0.751 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290226 1207935449 /nfs/dbraw/zinc/93/54/49/1207935449.db2.gz RQQYBXQZHXVKBF-QZTJIDSGSA-N 2 2 355.442 0.664 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290226 1207935450 /nfs/dbraw/zinc/93/54/50/1207935450.db2.gz RQQYBXQZHXVKBF-QZTJIDSGSA-N 2 2 355.442 0.664 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430423 1207950059 /nfs/dbraw/zinc/95/00/59/1207950059.db2.gz GIOYTUCFSTZVNS-BZUAXINKSA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430423 1207950064 /nfs/dbraw/zinc/95/00/64/1207950064.db2.gz GIOYTUCFSTZVNS-BZUAXINKSA-N 2 2 359.430 0.153 20 0 FCADLP Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988995 1207987137 /nfs/dbraw/zinc/98/71/37/1207987137.db2.gz VHLXOVGAICRWNH-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988995 1207987141 /nfs/dbraw/zinc/98/71/41/1207987141.db2.gz VHLXOVGAICRWNH-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1nccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194988995 1207987144 /nfs/dbraw/zinc/98/71/44/1207987144.db2.gz VHLXOVGAICRWNH-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1nccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194988995 1207987150 /nfs/dbraw/zinc/98/71/50/1207987150.db2.gz VHLXOVGAICRWNH-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)C1=O ZINC001194996364 1207987942 /nfs/dbraw/zinc/98/79/42/1207987942.db2.gz ARCMPPJYHMVNOM-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)C1=O ZINC001194996364 1207987944 /nfs/dbraw/zinc/98/79/44/1207987944.db2.gz ARCMPPJYHMVNOM-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1=O ZINC001194996364 1207987945 /nfs/dbraw/zinc/98/79/45/1207987945.db2.gz ARCMPPJYHMVNOM-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1=O ZINC001194996364 1207987947 /nfs/dbraw/zinc/98/79/47/1207987947.db2.gz ARCMPPJYHMVNOM-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195128581 1208000407 /nfs/dbraw/zinc/00/04/07/1208000407.db2.gz KXWJLIYAQUFJMJ-IXDOHACOSA-N 2 2 362.405 0.307 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195128581 1208000409 /nfs/dbraw/zinc/00/04/09/1208000409.db2.gz KXWJLIYAQUFJMJ-IXDOHACOSA-N 2 2 362.405 0.307 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221822 1208010577 /nfs/dbraw/zinc/01/05/77/1208010577.db2.gz IIFQDTQXWLFVNC-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221822 1208010580 /nfs/dbraw/zinc/01/05/80/1208010580.db2.gz IIFQDTQXWLFVNC-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221708 1208010884 /nfs/dbraw/zinc/01/08/84/1208010884.db2.gz CFKDUIBSMHVOHM-ARFHVFGLSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221708 1208010886 /nfs/dbraw/zinc/01/08/86/1208010886.db2.gz CFKDUIBSMHVOHM-ARFHVFGLSA-N 2 2 368.522 0.277 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001195708091 1208036009 /nfs/dbraw/zinc/03/60/09/1208036009.db2.gz DWPQGBSNVNZGOT-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001195708091 1208036011 /nfs/dbraw/zinc/03/60/11/1208036011.db2.gz DWPQGBSNVNZGOT-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708612 1208036625 /nfs/dbraw/zinc/03/66/25/1208036625.db2.gz PQWKIURHKTXKOX-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708612 1208036630 /nfs/dbraw/zinc/03/66/30/1208036630.db2.gz PQWKIURHKTXKOX-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195871659 1208044960 /nfs/dbraw/zinc/04/49/60/1208044960.db2.gz RUTVCSMUGCLEAG-QZTJIDSGSA-N 2 2 358.442 0.955 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC001195871659 1208044965 /nfs/dbraw/zinc/04/49/65/1208044965.db2.gz RUTVCSMUGCLEAG-QZTJIDSGSA-N 2 2 358.442 0.955 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268229 1208070032 /nfs/dbraw/zinc/07/00/32/1208070032.db2.gz CYBFCZNYYFUCFB-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268229 1208070034 /nfs/dbraw/zinc/07/00/34/1208070034.db2.gz CYBFCZNYYFUCFB-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268229 1208070037 /nfs/dbraw/zinc/07/00/37/1208070037.db2.gz CYBFCZNYYFUCFB-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268229 1208070039 /nfs/dbraw/zinc/07/00/39/1208070039.db2.gz CYBFCZNYYFUCFB-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268337 1208070081 /nfs/dbraw/zinc/07/00/81/1208070081.db2.gz GJHCPJGOCFITAP-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268337 1208070083 /nfs/dbraw/zinc/07/00/83/1208070083.db2.gz GJHCPJGOCFITAP-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268337 1208070086 /nfs/dbraw/zinc/07/00/86/1208070086.db2.gz GJHCPJGOCFITAP-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268337 1208070089 /nfs/dbraw/zinc/07/00/89/1208070089.db2.gz GJHCPJGOCFITAP-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001196499282 1208089101 /nfs/dbraw/zinc/08/91/01/1208089101.db2.gz MMFXSYLNEIATAV-USXIJHARSA-N 2 2 360.462 0.509 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001196499282 1208089104 /nfs/dbraw/zinc/08/91/04/1208089104.db2.gz MMFXSYLNEIATAV-USXIJHARSA-N 2 2 360.462 0.509 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)cn1 ZINC001196501359 1208089818 /nfs/dbraw/zinc/08/98/18/1208089818.db2.gz XPAQFKMFSCMJNK-DJIMGWMZSA-N 2 2 360.462 0.455 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)cn1 ZINC001196501359 1208089821 /nfs/dbraw/zinc/08/98/21/1208089821.db2.gz XPAQFKMFSCMJNK-DJIMGWMZSA-N 2 2 360.462 0.455 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638105 1208098609 /nfs/dbraw/zinc/09/86/09/1208098609.db2.gz PYYILPRHRBVXAT-USXIJHARSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638105 1208098611 /nfs/dbraw/zinc/09/86/11/1208098611.db2.gz PYYILPRHRBVXAT-USXIJHARSA-N 2 2 368.522 0.040 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001196919969 1208118150 /nfs/dbraw/zinc/11/81/50/1208118150.db2.gz PAIVBUQVLXIANC-IAGOWNOFSA-N 2 2 360.462 0.109 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1O ZINC001196919969 1208118152 /nfs/dbraw/zinc/11/81/52/1208118152.db2.gz PAIVBUQVLXIANC-IAGOWNOFSA-N 2 2 360.462 0.109 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001196925906 1208118618 /nfs/dbraw/zinc/11/86/18/1208118618.db2.gz RDLGPGCFHZZEFW-HZPDHXFCSA-N 2 2 361.446 0.938 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001196925906 1208118620 /nfs/dbraw/zinc/11/86/20/1208118620.db2.gz RDLGPGCFHZZEFW-HZPDHXFCSA-N 2 2 361.446 0.938 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1O ZINC001197010528 1208130095 /nfs/dbraw/zinc/13/00/95/1208130095.db2.gz UCNUESPBHQDZJF-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1O ZINC001197010528 1208130098 /nfs/dbraw/zinc/13/00/98/1208130098.db2.gz UCNUESPBHQDZJF-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001197010528 1208130102 /nfs/dbraw/zinc/13/01/02/1208130102.db2.gz UCNUESPBHQDZJF-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001197010528 1208130105 /nfs/dbraw/zinc/13/01/05/1208130105.db2.gz UCNUESPBHQDZJF-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O)C(C)C ZINC001197025450 1208133283 /nfs/dbraw/zinc/13/32/83/1208133283.db2.gz PCYWMAJTXQWASJ-INMHGKMJSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O)C(C)C ZINC001197025450 1208133286 /nfs/dbraw/zinc/13/32/86/1208133286.db2.gz PCYWMAJTXQWASJ-INMHGKMJSA-N 2 2 370.538 0.429 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139309 1208137709 /nfs/dbraw/zinc/13/77/09/1208137709.db2.gz LEYMLQKHDIUGQI-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139309 1208137713 /nfs/dbraw/zinc/13/77/13/1208137713.db2.gz LEYMLQKHDIUGQI-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001197428816 1208164295 /nfs/dbraw/zinc/16/42/95/1208164295.db2.gz VPGBICBPTWOCGO-BMGDILEWSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001197428816 1208164297 /nfs/dbraw/zinc/16/42/97/1208164297.db2.gz VPGBICBPTWOCGO-BMGDILEWSA-N 2 2 358.442 0.808 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001197493318 1208172122 /nfs/dbraw/zinc/17/21/22/1208172122.db2.gz IDXKRPBXKFESRT-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001197493318 1208172125 /nfs/dbraw/zinc/17/21/25/1208172125.db2.gz IDXKRPBXKFESRT-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001197493318 1208172128 /nfs/dbraw/zinc/17/21/28/1208172128.db2.gz IDXKRPBXKFESRT-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001197493318 1208172132 /nfs/dbraw/zinc/17/21/32/1208172132.db2.gz IDXKRPBXKFESRT-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP C[NH+](C)[C@](C)(C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197690354 1208186551 /nfs/dbraw/zinc/18/65/51/1208186551.db2.gz UGEKMLCOJIJYIL-GGPKGHCWSA-N 2 2 371.485 0.521 20 0 FCADLP C[NH+](C)[C@](C)(C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197690354 1208186554 /nfs/dbraw/zinc/18/65/54/1208186554.db2.gz UGEKMLCOJIJYIL-GGPKGHCWSA-N 2 2 371.485 0.521 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001197690765 1208186880 /nfs/dbraw/zinc/18/68/80/1208186880.db2.gz XWQSPPIVHAQYID-QZTJIDSGSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001197690765 1208186882 /nfs/dbraw/zinc/18/68/82/1208186882.db2.gz XWQSPPIVHAQYID-QZTJIDSGSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197723421 1208190085 /nfs/dbraw/zinc/19/00/85/1208190085.db2.gz HOOMNMLXQGCWOP-GVDBMIGSSA-N 2 2 370.538 0.527 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197723421 1208190090 /nfs/dbraw/zinc/19/00/90/1208190090.db2.gz HOOMNMLXQGCWOP-GVDBMIGSSA-N 2 2 370.538 0.527 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197723339 1208190128 /nfs/dbraw/zinc/19/01/28/1208190128.db2.gz GGQOPGPKWOVOLZ-IXDOHACOSA-N 2 2 368.522 0.329 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001197723339 1208190133 /nfs/dbraw/zinc/19/01/33/1208190133.db2.gz GGQOPGPKWOVOLZ-IXDOHACOSA-N 2 2 368.522 0.329 20 0 FCADLP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742895 1208192394 /nfs/dbraw/zinc/19/23/94/1208192394.db2.gz LANXCYYVVGKRNR-GUDVDZBRSA-N 2 2 371.485 0.737 20 0 FCADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742895 1208192396 /nfs/dbraw/zinc/19/23/96/1208192396.db2.gz LANXCYYVVGKRNR-GUDVDZBRSA-N 2 2 371.485 0.737 20 0 FCADLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742895 1208192399 /nfs/dbraw/zinc/19/23/99/1208192399.db2.gz LANXCYYVVGKRNR-GUDVDZBRSA-N 2 2 371.485 0.737 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C(C)C ZINC001197792999 1208197223 /nfs/dbraw/zinc/19/72/23/1208197223.db2.gz VOAMHAHTJUOMIB-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1)C(C)C ZINC001197792999 1208197226 /nfs/dbraw/zinc/19/72/26/1208197226.db2.gz VOAMHAHTJUOMIB-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C(C)C ZINC001197792999 1208197230 /nfs/dbraw/zinc/19/72/30/1208197230.db2.gz VOAMHAHTJUOMIB-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C(C)C ZINC001197792999 1208197233 /nfs/dbraw/zinc/19/72/33/1208197233.db2.gz VOAMHAHTJUOMIB-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001197955444 1208209100 /nfs/dbraw/zinc/20/91/00/1208209100.db2.gz MXRXFQBDXCDXRD-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001197955444 1208209103 /nfs/dbraw/zinc/20/91/03/1208209103.db2.gz MXRXFQBDXCDXRD-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001198019379 1208211654 /nfs/dbraw/zinc/21/16/54/1208211654.db2.gz ZAHLPTMEXONPSW-OALUTQOASA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001198019379 1208211656 /nfs/dbraw/zinc/21/16/56/1208211656.db2.gz ZAHLPTMEXONPSW-OALUTQOASA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC2CC(CO)(CO)C2)cc1 ZINC001198037195 1208216160 /nfs/dbraw/zinc/21/61/60/1208216160.db2.gz VCUNJYLGOSCCEH-UHFFFAOYSA-N 2 2 363.502 0.933 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC2CC(CO)(CO)C2)cc1 ZINC001198037195 1208216170 /nfs/dbraw/zinc/21/61/70/1208216170.db2.gz VCUNJYLGOSCCEH-UHFFFAOYSA-N 2 2 363.502 0.933 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1O ZINC001198291526 1208234734 /nfs/dbraw/zinc/23/47/34/1208234734.db2.gz BIGTUMRYAPARGK-QZTJIDSGSA-N 2 2 360.433 0.896 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1O ZINC001198291526 1208234735 /nfs/dbraw/zinc/23/47/35/1208234735.db2.gz BIGTUMRYAPARGK-QZTJIDSGSA-N 2 2 360.433 0.896 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCCC1 ZINC001198292420 1208235699 /nfs/dbraw/zinc/23/56/99/1208235699.db2.gz OPYAHCIPLHDBNB-KURKYZTESA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCCC1 ZINC001198292420 1208235700 /nfs/dbraw/zinc/23/57/00/1208235700.db2.gz OPYAHCIPLHDBNB-KURKYZTESA-N 2 2 364.490 0.719 20 0 FCADLP CC1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)C1 ZINC000775866382 1208261830 /nfs/dbraw/zinc/26/18/30/1208261830.db2.gz HSAFLWMEXCXLMU-BDXSIMOUSA-N 2 2 364.534 0.974 20 0 FCADLP CC1C[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000775866382 1208261831 /nfs/dbraw/zinc/26/18/31/1208261831.db2.gz HSAFLWMEXCXLMU-BDXSIMOUSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220750202 1225052795 /nfs/dbraw/zinc/05/27/95/1225052795.db2.gz PNSWDQAGUQDKJJ-XYPHTWIQSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001220750202 1225052801 /nfs/dbraw/zinc/05/28/01/1225052801.db2.gz PNSWDQAGUQDKJJ-XYPHTWIQSA-N 2 2 359.430 0.203 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198688493 1208283400 /nfs/dbraw/zinc/28/34/00/1208283400.db2.gz GLEKKCGKFNLXRD-BMGDILEWSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198688493 1208283403 /nfs/dbraw/zinc/28/34/03/1208283403.db2.gz GLEKKCGKFNLXRD-BMGDILEWSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)ncn1 ZINC001198729325 1208284283 /nfs/dbraw/zinc/28/42/83/1208284283.db2.gz IUUIOEBATCNVBD-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)ncn1 ZINC001198729325 1208284287 /nfs/dbraw/zinc/28/42/87/1208284287.db2.gz IUUIOEBATCNVBD-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743763 1208285420 /nfs/dbraw/zinc/28/54/20/1208285420.db2.gz FJHYEBXZYCVILG-USXIJHARSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743763 1208285423 /nfs/dbraw/zinc/28/54/23/1208285423.db2.gz FJHYEBXZYCVILG-USXIJHARSA-N 2 2 366.506 0.081 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104641 1208318332 /nfs/dbraw/zinc/31/83/32/1208318332.db2.gz PWSHPUYUYOHCKK-USXIJHARSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104641 1208318335 /nfs/dbraw/zinc/31/83/35/1208318335.db2.gz PWSHPUYUYOHCKK-USXIJHARSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104641 1208318337 /nfs/dbraw/zinc/31/83/37/1208318337.db2.gz PWSHPUYUYOHCKK-USXIJHARSA-N 2 2 368.522 0.325 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128051 1208319936 /nfs/dbraw/zinc/31/99/36/1208319936.db2.gz NCGFTFHFCOODAJ-KURKYZTESA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128051 1208319937 /nfs/dbraw/zinc/31/99/37/1208319937.db2.gz NCGFTFHFCOODAJ-KURKYZTESA-N 2 2 363.506 0.510 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC001199354718 1208339289 /nfs/dbraw/zinc/33/92/89/1208339289.db2.gz YOIUWOHXZAWWIF-IAGOWNOFSA-N 2 2 371.441 0.124 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC001199354718 1208339292 /nfs/dbraw/zinc/33/92/92/1208339292.db2.gz YOIUWOHXZAWWIF-IAGOWNOFSA-N 2 2 371.441 0.124 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)n1 ZINC001199354757 1208339317 /nfs/dbraw/zinc/33/93/17/1208339317.db2.gz ZNEABLZFZXSICA-HUUCEWRRSA-N 2 2 362.434 0.149 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)n1 ZINC001199354757 1208339320 /nfs/dbraw/zinc/33/93/20/1208339320.db2.gz ZNEABLZFZXSICA-HUUCEWRRSA-N 2 2 362.434 0.149 20 0 FCADLP COc1ncnc(OC)c1CNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199361972 1208343208 /nfs/dbraw/zinc/34/32/08/1208343208.db2.gz XTCVUHAXWWIALM-UHFFFAOYSA-N 2 2 372.429 0.571 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370167 1208343665 /nfs/dbraw/zinc/34/36/65/1208343665.db2.gz NPBRNGKRQKFOHD-USXIJHARSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370167 1208343670 /nfs/dbraw/zinc/34/36/70/1208343670.db2.gz NPBRNGKRQKFOHD-USXIJHARSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370166 1208343934 /nfs/dbraw/zinc/34/39/34/1208343934.db2.gz NPBRNGKRQKFOHD-DJIMGWMZSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370166 1208343937 /nfs/dbraw/zinc/34/39/37/1208343937.db2.gz NPBRNGKRQKFOHD-DJIMGWMZSA-N 2 2 366.506 0.081 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371555 1208344151 /nfs/dbraw/zinc/34/41/51/1208344151.db2.gz WPVOZDAQGSBMIE-OAHLLOKOSA-N 2 2 357.414 0.929 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691707177 1208438934 /nfs/dbraw/zinc/43/89/34/1208438934.db2.gz LJRCGQYMVINNTG-DLBZAZTESA-N 2 2 360.462 0.695 20 0 FCADLP CN(C(=O)/C=C/c1ccco1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041492 1208458758 /nfs/dbraw/zinc/45/87/58/1208458758.db2.gz GJGDRLRSWWHBPP-AATRIKPKSA-N 2 2 374.485 0.990 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489199088 1208660708 /nfs/dbraw/zinc/66/07/08/1208660708.db2.gz AUQUCBKCQYJGCW-XHSDSOJGSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489199088 1208660724 /nfs/dbraw/zinc/66/07/24/1208660724.db2.gz AUQUCBKCQYJGCW-XHSDSOJGSA-N 2 2 361.490 0.988 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209743 1208674623 /nfs/dbraw/zinc/67/46/23/1208674623.db2.gz YZYCDDHTHPXVAO-ZACQAIPSSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209743 1208674627 /nfs/dbraw/zinc/67/46/27/1208674627.db2.gz YZYCDDHTHPXVAO-ZACQAIPSSA-N 2 2 361.490 0.920 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822274 1225089142 /nfs/dbraw/zinc/08/91/42/1225089142.db2.gz QZEOFQNUKSJDBQ-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822274 1225089150 /nfs/dbraw/zinc/08/91/50/1225089150.db2.gz QZEOFQNUKSJDBQ-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822274 1225089157 /nfs/dbraw/zinc/08/91/57/1225089157.db2.gz QZEOFQNUKSJDBQ-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822274 1225089165 /nfs/dbraw/zinc/08/91/65/1225089165.db2.gz QZEOFQNUKSJDBQ-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220826185 1225090686 /nfs/dbraw/zinc/09/06/86/1225090686.db2.gz RAECIVYYSWNMDS-SJORKVTESA-N 2 2 370.538 0.525 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220826185 1225090693 /nfs/dbraw/zinc/09/06/93/1225090693.db2.gz RAECIVYYSWNMDS-SJORKVTESA-N 2 2 370.538 0.525 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220826185 1225090700 /nfs/dbraw/zinc/09/07/00/1225090700.db2.gz RAECIVYYSWNMDS-SJORKVTESA-N 2 2 370.538 0.525 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220826185 1225090708 /nfs/dbraw/zinc/09/07/08/1225090708.db2.gz RAECIVYYSWNMDS-SJORKVTESA-N 2 2 370.538 0.525 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220830802 1225096174 /nfs/dbraw/zinc/09/61/74/1225096174.db2.gz IXLDEAMNQLWOGW-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220830802 1225096180 /nfs/dbraw/zinc/09/61/80/1225096180.db2.gz IXLDEAMNQLWOGW-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220830802 1225096185 /nfs/dbraw/zinc/09/61/85/1225096185.db2.gz IXLDEAMNQLWOGW-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220830802 1225096192 /nfs/dbraw/zinc/09/61/92/1225096192.db2.gz IXLDEAMNQLWOGW-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001490045043 1209225372 /nfs/dbraw/zinc/22/53/72/1209225372.db2.gz HJBGMVBVACEOBY-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001220882520 1225122756 /nfs/dbraw/zinc/12/27/56/1225122756.db2.gz XQJILCIOYBABIV-MSOLQXFVSA-N 2 2 358.442 0.723 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001220882520 1225122757 /nfs/dbraw/zinc/12/27/57/1225122757.db2.gz XQJILCIOYBABIV-MSOLQXFVSA-N 2 2 358.442 0.723 20 0 FCADLP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001490550979 1209369658 /nfs/dbraw/zinc/36/96/58/1209369658.db2.gz UGNOUBBMNQZQJB-KURKYZTESA-N 2 2 369.506 0.482 20 0 FCADLP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001490550979 1209369662 /nfs/dbraw/zinc/36/96/62/1209369662.db2.gz UGNOUBBMNQZQJB-KURKYZTESA-N 2 2 369.506 0.482 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)c1 ZINC000851752737 1209519732 /nfs/dbraw/zinc/51/97/32/1209519732.db2.gz LUFRDTJUYWXLMW-IBGZPJMESA-N 2 2 356.426 0.585 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644659 1209538739 /nfs/dbraw/zinc/53/87/39/1209538739.db2.gz WRTLJWZIBCFDMB-ZACQAIPSSA-N 2 2 363.462 0.217 20 0 FCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644659 1209538745 /nfs/dbraw/zinc/53/87/45/1209538745.db2.gz WRTLJWZIBCFDMB-ZACQAIPSSA-N 2 2 363.462 0.217 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3ccnn3C)CC2)CC1 ZINC000856800982 1209729752 /nfs/dbraw/zinc/72/97/52/1209729752.db2.gz IXMXTKIKZSVWCK-QAPCUYQASA-N 2 2 363.506 0.718 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000856828965 1209730989 /nfs/dbraw/zinc/73/09/89/1209730989.db2.gz YREOUIOBOHPQQV-BRWVUGGUSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000856828965 1209730999 /nfs/dbraw/zinc/73/09/99/1209730999.db2.gz YREOUIOBOHPQQV-BRWVUGGUSA-N 2 2 369.506 0.877 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001110731247 1209762620 /nfs/dbraw/zinc/76/26/20/1209762620.db2.gz QKAAMMRPFNQHFA-IDCNUPLLSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001110731247 1209762630 /nfs/dbraw/zinc/76/26/30/1209762630.db2.gz QKAAMMRPFNQHFA-IDCNUPLLSA-N 2 2 371.485 0.693 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001110736697 1209763562 /nfs/dbraw/zinc/76/35/62/1209763562.db2.gz ITNHQJOGJFMNFC-OAGGEKHMSA-N 2 2 366.506 0.297 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001110736697 1209763569 /nfs/dbraw/zinc/76/35/69/1209763569.db2.gz ITNHQJOGJFMNFC-OAGGEKHMSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001110736697 1209763578 /nfs/dbraw/zinc/76/35/78/1209763578.db2.gz ITNHQJOGJFMNFC-OAGGEKHMSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001110736697 1209763587 /nfs/dbraw/zinc/76/35/87/1209763587.db2.gz ITNHQJOGJFMNFC-OAGGEKHMSA-N 2 2 366.506 0.297 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1C)c1cc[nH+]cc1 ZINC001110746543 1209789595 /nfs/dbraw/zinc/78/95/95/1209789595.db2.gz SKYNBCXIQPEIPB-NXHRZFHOSA-N 2 2 369.473 0.958 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1C)c1cc[nH+]cc1 ZINC001110746543 1209789602 /nfs/dbraw/zinc/78/96/02/1209789602.db2.gz SKYNBCXIQPEIPB-NXHRZFHOSA-N 2 2 369.473 0.958 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771041 1209816956 /nfs/dbraw/zinc/81/69/56/1209816956.db2.gz HZFUUUFWBRTOMD-BTQDYEIMSA-N 2 2 370.413 0.253 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771041 1209816959 /nfs/dbraw/zinc/81/69/59/1209816959.db2.gz HZFUUUFWBRTOMD-BTQDYEIMSA-N 2 2 370.413 0.253 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000860030157 1209837193 /nfs/dbraw/zinc/83/71/93/1209837193.db2.gz KHYDEGAWNZGXGL-HXUWFJFHSA-N 2 2 361.486 0.936 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110797728 1209864766 /nfs/dbraw/zinc/86/47/66/1209864766.db2.gz HZJLXOFQCMRGNT-OIISXLGYSA-N 2 2 368.441 0.739 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110797728 1209864768 /nfs/dbraw/zinc/86/47/68/1209864768.db2.gz HZJLXOFQCMRGNT-OIISXLGYSA-N 2 2 368.441 0.739 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001220986166 1225174486 /nfs/dbraw/zinc/17/44/86/1225174486.db2.gz VGGCLWQRZJNQGL-OLMNPRSZSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001220986166 1225174487 /nfs/dbraw/zinc/17/44/87/1225174487.db2.gz VGGCLWQRZJNQGL-OLMNPRSZSA-N 2 2 365.449 0.455 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2F)CC1 ZINC000868038660 1210039460 /nfs/dbraw/zinc/03/94/60/1210039460.db2.gz YQFRMNHKLCSLBY-UHFFFAOYSA-N 2 2 363.437 0.338 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868218090 1210044807 /nfs/dbraw/zinc/04/48/07/1210044807.db2.gz ZKGKYQOSIXCNFY-ROUUACIJSA-N 2 2 374.489 0.210 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000868304909 1210051202 /nfs/dbraw/zinc/05/12/02/1210051202.db2.gz XOQZGMKPILGKMZ-WKILWMFISA-N 2 2 359.474 0.226 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000868303363 1210051310 /nfs/dbraw/zinc/05/13/10/1210051310.db2.gz XOQZGMKPILGKMZ-IYBDPMFKSA-N 2 2 359.474 0.226 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221061774 1225203973 /nfs/dbraw/zinc/20/39/73/1225203973.db2.gz DFZLZTCSQHCUMN-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001221061774 1225203976 /nfs/dbraw/zinc/20/39/76/1225203976.db2.gz DFZLZTCSQHCUMN-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000875347604 1210367891 /nfs/dbraw/zinc/36/78/91/1210367891.db2.gz RVUREUDXIZTKIX-FRQCXROJSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000875347604 1210367892 /nfs/dbraw/zinc/36/78/92/1210367892.db2.gz RVUREUDXIZTKIX-FRQCXROJSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000875394640 1210371089 /nfs/dbraw/zinc/37/10/89/1210371089.db2.gz TXNXHUWHMBNYHZ-KZNAEPCWSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000875394640 1210371094 /nfs/dbraw/zinc/37/10/94/1210371094.db2.gz TXNXHUWHMBNYHZ-KZNAEPCWSA-N 2 2 368.522 0.774 20 0 FCADLP CC(C)[NH+]1CCC(CCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000876029273 1210399060 /nfs/dbraw/zinc/39/90/60/1210399060.db2.gz BYOYMZCIYXDJTG-GOSISDBHSA-N 2 2 370.538 0.831 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000826075465 1210467027 /nfs/dbraw/zinc/46/70/27/1210467027.db2.gz VRIHMDJUKQKKPZ-GOSISDBHSA-N 2 2 358.486 0.886 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000826075465 1210467029 /nfs/dbraw/zinc/46/70/29/1210467029.db2.gz VRIHMDJUKQKKPZ-GOSISDBHSA-N 2 2 358.486 0.886 20 0 FCADLP CC(=O)N1C[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]2C1 ZINC000880309468 1210525178 /nfs/dbraw/zinc/52/51/78/1210525178.db2.gz FRBDDJCDQUUPOX-HDICACEKSA-N 2 2 371.485 0.530 20 0 FCADLP CC(=O)N1C[C@@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]2C1 ZINC000880309468 1210525186 /nfs/dbraw/zinc/52/51/86/1210525186.db2.gz FRBDDJCDQUUPOX-HDICACEKSA-N 2 2 371.485 0.530 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091188 1225217653 /nfs/dbraw/zinc/21/76/53/1225217653.db2.gz FJVIWRFMXRTYJV-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091188 1225217660 /nfs/dbraw/zinc/21/76/60/1225217660.db2.gz FJVIWRFMXRTYJV-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091188 1225217666 /nfs/dbraw/zinc/21/76/66/1225217666.db2.gz FJVIWRFMXRTYJV-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091188 1225217671 /nfs/dbraw/zinc/21/76/71/1225217671.db2.gz FJVIWRFMXRTYJV-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000881622504 1210593427 /nfs/dbraw/zinc/59/34/27/1210593427.db2.gz NJNUBTBJIUAVLR-HNNXBMFYSA-N 2 2 359.474 0.778 20 0 FCADLP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(=O)NC1CC1 ZINC001202552692 1210651073 /nfs/dbraw/zinc/65/10/73/1210651073.db2.gz PDHMSFNPYKBSFK-APHBMKBZSA-N 2 2 359.474 0.771 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883347005 1210663170 /nfs/dbraw/zinc/66/31/70/1210663170.db2.gz KHBLYPSLWYBIEZ-IRXDYDNUSA-N 2 2 360.506 0.938 20 0 FCADLP Cn1ncc2cc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)cnc21 ZINC000883371583 1210665009 /nfs/dbraw/zinc/66/50/09/1210665009.db2.gz PUPRZBMEICTCHC-SFHVURJKSA-N 2 2 358.490 0.855 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4(CC3)COCCO4)C2)CC1 ZINC000883417098 1210666146 /nfs/dbraw/zinc/66/61/46/1210666146.db2.gz NQTSWJKZODHAMG-MRXNPFEDSA-N 2 2 366.506 0.746 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4(CC3)COCCO4)C2)CC1 ZINC000883417098 1210666147 /nfs/dbraw/zinc/66/61/47/1210666147.db2.gz NQTSWJKZODHAMG-MRXNPFEDSA-N 2 2 366.506 0.746 20 0 FCADLP Cn1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)n1 ZINC000883439520 1210667125 /nfs/dbraw/zinc/66/71/25/1210667125.db2.gz TZUDRHFEGOWIRG-YUELXQCFSA-N 2 2 374.470 0.911 20 0 FCADLP Cn1ccc(-c2nc(C[N@H+]3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)n1 ZINC000883439520 1210667128 /nfs/dbraw/zinc/66/71/28/1210667128.db2.gz TZUDRHFEGOWIRG-YUELXQCFSA-N 2 2 374.470 0.911 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)C[C@H]3CCCO3)CC2)CC1 ZINC000884124309 1210716139 /nfs/dbraw/zinc/71/61/39/1210716139.db2.gz UGAHQUNPFJRTBF-FUHWJXTLSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884188250 1210720843 /nfs/dbraw/zinc/72/08/43/1210720843.db2.gz CHFFJIRDOMIERQ-MRXNPFEDSA-N 2 2 358.442 0.583 20 0 FCADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000884311596 1210729335 /nfs/dbraw/zinc/72/93/35/1210729335.db2.gz GZYPBPDTFKDJHJ-HOTGVXAUSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884311596 1210729338 /nfs/dbraw/zinc/72/93/38/1210729338.db2.gz GZYPBPDTFKDJHJ-HOTGVXAUSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@H](CC1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000884313518 1210730152 /nfs/dbraw/zinc/73/01/52/1210730152.db2.gz HPKHKDTZBVEUDF-OAHLLOKOSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@H](CC1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000884313518 1210730156 /nfs/dbraw/zinc/73/01/56/1210730156.db2.gz HPKHKDTZBVEUDF-OAHLLOKOSA-N 2 2 360.462 0.089 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[NH2+]C1 ZINC000884643608 1210771436 /nfs/dbraw/zinc/77/14/36/1210771436.db2.gz MLLHSVUHCXBNDM-GJZGRUSLSA-N 2 2 359.474 0.671 20 0 FCADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)C(=O)NCC1C[NH2+]C1 ZINC000884693722 1210782320 /nfs/dbraw/zinc/78/23/20/1210782320.db2.gz LXVPXUKKULKVTE-UHFFFAOYSA-N 2 2 367.453 0.540 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000884694665 1210783652 /nfs/dbraw/zinc/78/36/52/1210783652.db2.gz SPACBGLXGOQINJ-SJORKVTESA-N 2 2 355.442 0.999 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)cc[nH+]1 ZINC000884967878 1210805830 /nfs/dbraw/zinc/80/58/30/1210805830.db2.gz MACYJBKVJHKJFD-HNNXBMFYSA-N 2 2 374.489 0.328 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000885017683 1210808931 /nfs/dbraw/zinc/80/89/31/1210808931.db2.gz BIRZJNNJDZPSLE-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000885017683 1210808932 /nfs/dbraw/zinc/80/89/32/1210808932.db2.gz BIRZJNNJDZPSLE-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)c1 ZINC000885017738 1210809062 /nfs/dbraw/zinc/80/90/62/1210809062.db2.gz DFCLNIQNLLAOIV-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)c1 ZINC000885017738 1210809063 /nfs/dbraw/zinc/80/90/63/1210809063.db2.gz DFCLNIQNLLAOIV-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021037 1210809410 /nfs/dbraw/zinc/80/94/10/1210809410.db2.gz STEOQTXDUROUSL-QZTJIDSGSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021037 1210809413 /nfs/dbraw/zinc/80/94/13/1210809413.db2.gz STEOQTXDUROUSL-QZTJIDSGSA-N 2 2 374.485 0.132 20 0 FCADLP CCN(C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000885228291 1210816156 /nfs/dbraw/zinc/81/61/56/1210816156.db2.gz SNFGLRKTCSUGGZ-IRXDYDNUSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227571 1210816331 /nfs/dbraw/zinc/81/63/31/1210816331.db2.gz KJKWADSBXHGNMB-BHYGNILZSA-N 2 2 355.442 0.936 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000885227696 1210816344 /nfs/dbraw/zinc/81/63/44/1210816344.db2.gz LJFRSJWSTVJXRO-INMHGKMJSA-N 2 2 355.442 0.949 20 0 FCADLP CCN(C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000885228290 1210816429 /nfs/dbraw/zinc/81/64/29/1210816429.db2.gz SNFGLRKTCSUGGZ-IAGOWNOFSA-N 2 2 355.442 0.951 20 0 FCADLP COC(=O)c1cncc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000886529115 1210831906 /nfs/dbraw/zinc/83/19/06/1210831906.db2.gz WOCJKGOCRONJKK-YJBOKZPZSA-N 2 2 362.474 0.925 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O ZINC001221154478 1225243269 /nfs/dbraw/zinc/24/32/69/1225243269.db2.gz NPKDPZLDMDHWEI-MSOLQXFVSA-N 2 2 358.442 0.904 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001221154478 1225243275 /nfs/dbraw/zinc/24/32/75/1225243275.db2.gz NPKDPZLDMDHWEI-MSOLQXFVSA-N 2 2 358.442 0.904 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158509 1225243911 /nfs/dbraw/zinc/24/39/11/1225243911.db2.gz JGOKYMGNAOMLMK-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158509 1225243916 /nfs/dbraw/zinc/24/39/16/1225243916.db2.gz JGOKYMGNAOMLMK-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP CN1C[C@@H](C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)NC1=O ZINC001274051495 1210867740 /nfs/dbraw/zinc/86/77/40/1210867740.db2.gz FWSTWOSYZIYEEC-QGTPRVQTSA-N 2 2 360.462 0.458 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221164536 1225249683 /nfs/dbraw/zinc/24/96/83/1225249683.db2.gz KUEGUYQVMICZFM-KURKYZTESA-N 2 2 358.442 0.038 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1O ZINC001221164536 1225249687 /nfs/dbraw/zinc/24/96/87/1225249687.db2.gz KUEGUYQVMICZFM-KURKYZTESA-N 2 2 358.442 0.038 20 0 FCADLP Cc1cccc(C2(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CCOCC2)n1 ZINC001221173099 1225253130 /nfs/dbraw/zinc/25/31/30/1225253130.db2.gz VSZMZXIEWPWYIF-INIZCTEOSA-N 2 2 357.458 0.858 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110877281 1211007752 /nfs/dbraw/zinc/00/77/52/1211007752.db2.gz KWYLJINHXHCSCM-KFWWJZLASA-N 2 2 359.430 0.144 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110877281 1211007755 /nfs/dbraw/zinc/00/77/55/1211007755.db2.gz KWYLJINHXHCSCM-KFWWJZLASA-N 2 2 359.430 0.144 20 0 FCADLP O=C(N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1)C12CCC[NH+]1CCC2 ZINC001274406948 1211045819 /nfs/dbraw/zinc/04/58/19/1211045819.db2.gz AHJPICJXJYEFIF-CALCHBBNSA-N 2 2 359.474 0.423 20 0 FCADLP COc1cccc(CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001221185509 1225260224 /nfs/dbraw/zinc/26/02/24/1225260224.db2.gz ANFQMCJQWKEUHZ-DZKIICNBSA-N 2 2 373.461 0.377 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172261 1211189087 /nfs/dbraw/zinc/18/90/87/1211189087.db2.gz UCVKJNHPMXCKMD-USXIJHARSA-N 2 2 359.474 0.066 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172261 1211189088 /nfs/dbraw/zinc/18/90/88/1211189088.db2.gz UCVKJNHPMXCKMD-USXIJHARSA-N 2 2 359.474 0.066 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172261 1211189089 /nfs/dbraw/zinc/18/90/89/1211189089.db2.gz UCVKJNHPMXCKMD-USXIJHARSA-N 2 2 359.474 0.066 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172261 1211189090 /nfs/dbraw/zinc/18/90/90/1211189090.db2.gz UCVKJNHPMXCKMD-USXIJHARSA-N 2 2 359.474 0.066 20 0 FCADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001275302483 1211211655 /nfs/dbraw/zinc/21/16/55/1211211655.db2.gz SQAULQDSBMBMJS-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001275302483 1211211658 /nfs/dbraw/zinc/21/16/58/1211211658.db2.gz SQAULQDSBMBMJS-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275447660 1211239016 /nfs/dbraw/zinc/23/90/16/1211239016.db2.gz MMVLWRBSKNYDIW-UGSOOPFHSA-N 2 2 362.430 0.107 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275447660 1211239019 /nfs/dbraw/zinc/23/90/19/1211239019.db2.gz MMVLWRBSKNYDIW-UGSOOPFHSA-N 2 2 362.430 0.107 20 0 FCADLP Cc1cccn2c(CN3CC4(C3)CN(CC[NH+](C)C)C(=O)CO4)c[nH+]c12 ZINC001275488765 1211250088 /nfs/dbraw/zinc/25/00/88/1211250088.db2.gz VMJPAJSNFVUUJR-UHFFFAOYSA-N 2 2 357.458 0.618 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275798818 1211285218 /nfs/dbraw/zinc/28/52/18/1211285218.db2.gz GTCRROGDQQNILW-MRXNPFEDSA-N 2 2 360.458 0.278 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275798818 1211285222 /nfs/dbraw/zinc/28/52/22/1211285222.db2.gz GTCRROGDQQNILW-MRXNPFEDSA-N 2 2 360.458 0.278 20 0 FCADLP COCCOC[N@@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800854 1211285540 /nfs/dbraw/zinc/28/55/40/1211285540.db2.gz IHHQCYJCTCBFCZ-MJGOQNOKSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[N@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800854 1211285543 /nfs/dbraw/zinc/28/55/43/1211285543.db2.gz IHHQCYJCTCBFCZ-MJGOQNOKSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800854 1211285546 /nfs/dbraw/zinc/28/55/46/1211285546.db2.gz IHHQCYJCTCBFCZ-MJGOQNOKSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800854 1211285548 /nfs/dbraw/zinc/28/55/48/1211285548.db2.gz IHHQCYJCTCBFCZ-MJGOQNOKSA-N 2 2 369.506 0.378 20 0 FCADLP COC(=O)[C@@H](C)CN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833709 1211293628 /nfs/dbraw/zinc/29/36/28/1211293628.db2.gz OSUZKWLIZSHHBX-HNNXBMFYSA-N 2 2 367.490 0.441 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](Cc3ccncn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275842199 1211296154 /nfs/dbraw/zinc/29/61/54/1211296154.db2.gz BELNGWDSACAVLP-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](Cc3ccncn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275842199 1211296157 /nfs/dbraw/zinc/29/61/57/1211296157.db2.gz BELNGWDSACAVLP-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP COCCN1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830664 1211333074 /nfs/dbraw/zinc/33/30/74/1211333074.db2.gz ONVSTEYLAHSXFL-DOTOQJQBSA-N 2 2 366.506 0.108 20 0 FCADLP COCCN1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830664 1211333080 /nfs/dbraw/zinc/33/30/80/1211333080.db2.gz ONVSTEYLAHSXFL-DOTOQJQBSA-N 2 2 366.506 0.108 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CC[NH+](Cc3cnc(N)nc3)CC2)C1=O ZINC001276088807 1211350134 /nfs/dbraw/zinc/35/01/34/1211350134.db2.gz DZZZZYZUNOBGLS-UHFFFAOYSA-N 2 2 355.446 0.807 20 0 FCADLP O=C1CO[C@]2(CC[N@@H+](Cc3ncccc3O)C2)CN1CCn1cc[nH+]c1 ZINC001276118838 1211356004 /nfs/dbraw/zinc/35/60/04/1211356004.db2.gz CQUVUOOQPOHPPH-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP O=C1CO[C@]2(CC[N@H+](Cc3ncccc3O)C2)CN1CCn1cc[nH+]c1 ZINC001276118838 1211356008 /nfs/dbraw/zinc/35/60/08/1211356008.db2.gz CQUVUOOQPOHPPH-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)NC1CC1 ZINC001095606224 1211423747 /nfs/dbraw/zinc/42/37/47/1211423747.db2.gz XQRPCIUBPLBHIK-IKGGRYGDSA-N 2 2 360.502 0.863 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)NC1CC1 ZINC001095606224 1211423750 /nfs/dbraw/zinc/42/37/50/1211423750.db2.gz XQRPCIUBPLBHIK-IKGGRYGDSA-N 2 2 360.502 0.863 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001095619763 1211428484 /nfs/dbraw/zinc/42/84/84/1211428484.db2.gz UHOOGYMIGFZLTJ-SHPPOPEUSA-N 2 2 367.409 0.703 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001095619763 1211428485 /nfs/dbraw/zinc/42/84/85/1211428485.db2.gz UHOOGYMIGFZLTJ-SHPPOPEUSA-N 2 2 367.409 0.703 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695190 1211449897 /nfs/dbraw/zinc/44/98/97/1211449897.db2.gz MQZTZDJZXYKKLQ-IWCQGFGOSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695190 1211449900 /nfs/dbraw/zinc/44/99/00/1211449900.db2.gz MQZTZDJZXYKKLQ-IWCQGFGOSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695062 1211449987 /nfs/dbraw/zinc/44/99/87/1211449987.db2.gz GYDNKAZNYJULIH-OEAJRASXSA-N 2 2 367.409 0.475 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695062 1211449989 /nfs/dbraw/zinc/44/99/89/1211449989.db2.gz GYDNKAZNYJULIH-OEAJRASXSA-N 2 2 367.409 0.475 20 0 FCADLP C[NH+](C)C[C@H]1NC(=O)N(CCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000924479128 1211471505 /nfs/dbraw/zinc/47/15/05/1211471505.db2.gz MQNDHHJEZCHCMO-GOSISDBHSA-N 2 2 373.501 0.676 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925043676 1211489455 /nfs/dbraw/zinc/48/94/55/1211489455.db2.gz NYZLBNPRXHLQRQ-SJORKVTESA-N 2 2 360.458 0.678 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925043676 1211489457 /nfs/dbraw/zinc/48/94/57/1211489457.db2.gz NYZLBNPRXHLQRQ-SJORKVTESA-N 2 2 360.458 0.678 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000925588073 1211503434 /nfs/dbraw/zinc/50/34/34/1211503434.db2.gz SNZOIIHLBLBOQL-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000925588073 1211503442 /nfs/dbraw/zinc/50/34/42/1211503442.db2.gz SNZOIIHLBLBOQL-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926287583 1211526902 /nfs/dbraw/zinc/52/69/02/1211526902.db2.gz VMUNZUWLTWYBMQ-QGZVFWFLSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000926377729 1211542659 /nfs/dbraw/zinc/54/26/59/1211542659.db2.gz KRURXQGQESLZBI-YTQUADARSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000926377729 1211542664 /nfs/dbraw/zinc/54/26/64/1211542664.db2.gz KRURXQGQESLZBI-YTQUADARSA-N 2 2 370.497 0.787 20 0 FCADLP COc1ccc2c(c1)OC[C@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001221320894 1225297066 /nfs/dbraw/zinc/29/70/66/1225297066.db2.gz HTLRMVNQYYQVQC-SUMWQHHRSA-N 2 2 362.474 0.113 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000929398259 1211635128 /nfs/dbraw/zinc/63/51/28/1211635128.db2.gz JMJUUTYHUCWSLH-QGZVFWFLSA-N 2 2 358.486 0.760 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000929398259 1211635132 /nfs/dbraw/zinc/63/51/32/1211635132.db2.gz JMJUUTYHUCWSLH-QGZVFWFLSA-N 2 2 358.486 0.760 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000929398259 1211635134 /nfs/dbraw/zinc/63/51/34/1211635134.db2.gz JMJUUTYHUCWSLH-QGZVFWFLSA-N 2 2 358.486 0.760 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000929398259 1211635138 /nfs/dbraw/zinc/63/51/38/1211635138.db2.gz JMJUUTYHUCWSLH-QGZVFWFLSA-N 2 2 358.486 0.760 20 0 FCADLP Cc1ccc(NCCNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[nH+]c1 ZINC000929863302 1211665661 /nfs/dbraw/zinc/66/56/61/1211665661.db2.gz KEFTZZQKHZCLED-OAHLLOKOSA-N 2 2 363.462 0.003 20 0 FCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000931662194 1211769199 /nfs/dbraw/zinc/76/91/99/1211769199.db2.gz KLPRWKJDXSCTFQ-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000932811243 1211823188 /nfs/dbraw/zinc/82/31/88/1211823188.db2.gz ICSIOAVDUAHABU-HNNXBMFYSA-N 2 2 356.430 0.978 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001111077874 1211864929 /nfs/dbraw/zinc/86/49/29/1211864929.db2.gz AUZDDHVXWVLWPG-FPCVCCKLSA-N 2 2 373.457 0.705 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001111077874 1211864930 /nfs/dbraw/zinc/86/49/30/1211864930.db2.gz AUZDDHVXWVLWPG-FPCVCCKLSA-N 2 2 373.457 0.705 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001111150909 1211900754 /nfs/dbraw/zinc/90/07/54/1211900754.db2.gz XXMKSZJQIVYIHY-ZACQAIPSSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001111150909 1211900757 /nfs/dbraw/zinc/90/07/57/1211900757.db2.gz XXMKSZJQIVYIHY-ZACQAIPSSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001111149912 1211901210 /nfs/dbraw/zinc/90/12/10/1211901210.db2.gz ALDZMDGKIUEVCX-NCOADZHNSA-N 2 2 359.474 0.972 20 0 FCADLP 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CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001067010288 1213889984 /nfs/dbraw/zinc/88/99/84/1213889984.db2.gz ICEROWNSYOGFSW-OAGGEKHMSA-N 2 2 361.490 0.925 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)[NH+](C)C ZINC000960711089 1213902091 /nfs/dbraw/zinc/90/20/91/1213902091.db2.gz OYMFBYLJTPINMW-OWCLPIDISA-N 2 2 363.462 0.039 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923807 1213977763 /nfs/dbraw/zinc/97/77/63/1213977763.db2.gz IVYNGZMFJKXRFO-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923807 1213977769 /nfs/dbraw/zinc/97/77/69/1213977769.db2.gz IVYNGZMFJKXRFO-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923807 1213977775 /nfs/dbraw/zinc/97/77/75/1213977775.db2.gz IVYNGZMFJKXRFO-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923807 1213977781 /nfs/dbraw/zinc/97/77/81/1213977781.db2.gz IVYNGZMFJKXRFO-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP Cc1nonc1C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016686188 1214034984 /nfs/dbraw/zinc/03/49/84/1214034984.db2.gz UVIKTJZNXBJPFW-WQVCFCJDSA-N 2 2 363.462 0.568 20 0 FCADLP Cc1nonc1C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016686188 1214034992 /nfs/dbraw/zinc/03/49/92/1214034992.db2.gz UVIKTJZNXBJPFW-WQVCFCJDSA-N 2 2 363.462 0.568 20 0 FCADLP Cc1noc(C[NH+]2CCC3(C[C@H]3NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001016685233 1214035149 /nfs/dbraw/zinc/03/51/49/1214035149.db2.gz NESGMDJASLMCHG-BPLDGKMQSA-N 2 2 363.462 0.568 20 0 FCADLP Cc1noc(C[NH+]2CCC3(C[C@H]3NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001016685233 1214035152 /nfs/dbraw/zinc/03/51/52/1214035152.db2.gz NESGMDJASLMCHG-BPLDGKMQSA-N 2 2 363.462 0.568 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NC1CC1)CC2 ZINC001016828757 1214047149 /nfs/dbraw/zinc/04/71/49/1214047149.db2.gz BEHWAVZUROVVRK-INMHGKMJSA-N 2 2 371.485 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016829518 1214048694 /nfs/dbraw/zinc/04/86/94/1214048694.db2.gz HKZQBNFQFFLWRX-BFYDXBDKSA-N 2 2 369.473 0.786 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(=O)n4[nH]ccc4n3)C2)CC[N@@H+]1C ZINC001018865930 1214166934 /nfs/dbraw/zinc/16/69/34/1214166934.db2.gz NODJAGLYURYHIM-VNHYZAJKSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(=O)n4[nH]ccc4n3)C2)CC[N@H+]1C ZINC001018865930 1214166937 /nfs/dbraw/zinc/16/69/37/1214166937.db2.gz NODJAGLYURYHIM-VNHYZAJKSA-N 2 2 358.446 0.053 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001019148374 1214205392 /nfs/dbraw/zinc/20/53/92/1214205392.db2.gz SWWYUEBBNDNIPT-HUUCEWRRSA-N 2 2 369.469 0.670 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001019148374 1214205400 /nfs/dbraw/zinc/20/54/00/1214205400.db2.gz SWWYUEBBNDNIPT-HUUCEWRRSA-N 2 2 369.469 0.670 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873205 1225516856 /nfs/dbraw/zinc/51/68/56/1225516856.db2.gz RPMCDINLIUSFEO-IAGOWNOFSA-N 2 2 361.490 0.983 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873205 1225516860 /nfs/dbraw/zinc/51/68/60/1225516860.db2.gz RPMCDINLIUSFEO-IAGOWNOFSA-N 2 2 361.490 0.983 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020165829 1214315767 /nfs/dbraw/zinc/31/57/67/1214315767.db2.gz BUMCMIFGTWHHHF-HHARLNAUSA-N 2 2 371.485 0.669 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC000961825477 1214318571 /nfs/dbraw/zinc/31/85/71/1214318571.db2.gz MHSPEWOKYKKELG-JLOCXQCDSA-N 2 2 352.442 0.869 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC000961825477 1214318580 /nfs/dbraw/zinc/31/85/80/1214318580.db2.gz MHSPEWOKYKKELG-JLOCXQCDSA-N 2 2 352.442 0.869 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000961836820 1214325466 /nfs/dbraw/zinc/32/54/66/1214325466.db2.gz DUQQABUJSKGJEW-FIDHJVLJSA-N 2 2 371.485 0.772 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000961836820 1214325474 /nfs/dbraw/zinc/32/54/74/1214325474.db2.gz DUQQABUJSKGJEW-FIDHJVLJSA-N 2 2 371.485 0.772 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000961836820 1214325475 /nfs/dbraw/zinc/32/54/75/1214325475.db2.gz DUQQABUJSKGJEW-FIDHJVLJSA-N 2 2 371.485 0.772 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000961836820 1214325483 /nfs/dbraw/zinc/32/54/83/1214325483.db2.gz DUQQABUJSKGJEW-FIDHJVLJSA-N 2 2 371.485 0.772 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)O1 ZINC001020287253 1214327309 /nfs/dbraw/zinc/32/73/09/1214327309.db2.gz ZRDMLSZCXBFCLL-IXYNUQLISA-N 2 2 364.494 0.489 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)O1 ZINC001020287253 1214327317 /nfs/dbraw/zinc/32/73/17/1214327317.db2.gz ZRDMLSZCXBFCLL-IXYNUQLISA-N 2 2 364.494 0.489 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)n2)C3)CC[N@@H+]1C ZINC001040209137 1214485328 /nfs/dbraw/zinc/48/53/28/1214485328.db2.gz GGPZUFKBOKVXBV-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2cnn(C)n2)C3)CC[N@H+]1C ZINC001040209137 1214485330 /nfs/dbraw/zinc/48/53/30/1214485330.db2.gz GGPZUFKBOKVXBV-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cnn(C)n2)C3)CC[NH+]1C ZINC001040209137 1214485333 /nfs/dbraw/zinc/48/53/33/1214485333.db2.gz GGPZUFKBOKVXBV-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cnn(C)n2)C3)CC[NH+]1C ZINC001040209137 1214485338 /nfs/dbraw/zinc/48/53/38/1214485338.db2.gz GGPZUFKBOKVXBV-SZVBFZGTSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC001041044225 1214675755 /nfs/dbraw/zinc/67/57/55/1214675755.db2.gz LXMHWVFMZPQTKE-HUUCEWRRSA-N 2 2 356.430 0.533 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)nc(C)[nH+]1 ZINC001041064724 1214684589 /nfs/dbraw/zinc/68/45/89/1214684589.db2.gz FIYDZBBTTPGUGZ-BRWVUGGUSA-N 2 2 361.490 0.888 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)nc(C)[nH+]1 ZINC001041064724 1214684594 /nfs/dbraw/zinc/68/45/94/1214684594.db2.gz FIYDZBBTTPGUGZ-BRWVUGGUSA-N 2 2 361.490 0.888 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000963153949 1214753622 /nfs/dbraw/zinc/75/36/22/1214753622.db2.gz NKQADTXTMAKAHX-WCVJEAGWSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000963153949 1214753626 /nfs/dbraw/zinc/75/36/26/1214753626.db2.gz NKQADTXTMAKAHX-WCVJEAGWSA-N 2 2 359.474 0.884 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](NC(=O)C[NH+]4CCCC4)[C@@H](O)C3)ccn12 ZINC000963472587 1214812858 /nfs/dbraw/zinc/81/28/58/1214812858.db2.gz HUMVKRKZHPXEAF-CVEARBPZSA-N 2 2 371.441 0.040 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221968883 1225557227 /nfs/dbraw/zinc/55/72/27/1225557227.db2.gz FLJWWEJOBALBMX-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221968883 1225557230 /nfs/dbraw/zinc/55/72/30/1225557230.db2.gz FLJWWEJOBALBMX-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221968883 1225557236 /nfs/dbraw/zinc/55/72/36/1225557236.db2.gz FLJWWEJOBALBMX-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001221968883 1225557241 /nfs/dbraw/zinc/55/72/41/1225557241.db2.gz FLJWWEJOBALBMX-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221973525 1225558387 /nfs/dbraw/zinc/55/83/87/1225558387.db2.gz BCRRLWYPIBRKMK-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221973525 1225558391 /nfs/dbraw/zinc/55/83/91/1225558391.db2.gz BCRRLWYPIBRKMK-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221973525 1225558394 /nfs/dbraw/zinc/55/83/94/1225558394.db2.gz BCRRLWYPIBRKMK-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221973525 1225558397 /nfs/dbraw/zinc/55/83/97/1225558397.db2.gz BCRRLWYPIBRKMK-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP Cc1nnc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC000964030236 1214890719 /nfs/dbraw/zinc/89/07/19/1214890719.db2.gz ILRYWAYUQTYILD-USHOPYPOSA-N 2 2 363.462 0.614 20 0 FCADLP Cc1nnc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC000964030236 1214890722 /nfs/dbraw/zinc/89/07/22/1214890722.db2.gz ILRYWAYUQTYILD-USHOPYPOSA-N 2 2 363.462 0.614 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989062 1225564115 /nfs/dbraw/zinc/56/41/15/1225564115.db2.gz UDWHGUIHUPAQDO-DJIMGWMZSA-N 2 2 361.490 0.930 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989062 1225564116 /nfs/dbraw/zinc/56/41/16/1225564116.db2.gz UDWHGUIHUPAQDO-DJIMGWMZSA-N 2 2 361.490 0.930 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)N1CCC1)C2 ZINC000965160033 1215026629 /nfs/dbraw/zinc/02/66/29/1215026629.db2.gz KQQQGCAITVGWEW-KOWXXPJWSA-N 2 2 371.485 0.773 20 0 FCADLP Cc1nnc2n1CCN(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)[C@@H]2C ZINC001222011601 1225574713 /nfs/dbraw/zinc/57/47/13/1225574713.db2.gz IDGDETWYFCBRTK-UKRRQHHQSA-N 2 2 361.494 0.841 20 0 FCADLP Cc1nnc2n1CCN(C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)[C@@H]2C ZINC001222011601 1225574716 /nfs/dbraw/zinc/57/47/16/1225574716.db2.gz IDGDETWYFCBRTK-UKRRQHHQSA-N 2 2 361.494 0.841 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001222016605 1225576747 /nfs/dbraw/zinc/57/67/47/1225576747.db2.gz SABUIRYNYKYMEN-DJIMGWMZSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001222016605 1225576751 /nfs/dbraw/zinc/57/67/51/1225576751.db2.gz SABUIRYNYKYMEN-DJIMGWMZSA-N 2 2 361.490 0.885 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1)C1CC1 ZINC001222018086 1225577119 /nfs/dbraw/zinc/57/71/19/1225577119.db2.gz MFNJGJGXYLDOLX-NVXWUHKLSA-N 2 2 359.474 0.735 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1)C1CC1 ZINC001222018086 1225577124 /nfs/dbraw/zinc/57/71/24/1225577124.db2.gz MFNJGJGXYLDOLX-NVXWUHKLSA-N 2 2 359.474 0.735 20 0 FCADLP CC(C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001055646728 1215896508 /nfs/dbraw/zinc/89/65/08/1215896508.db2.gz ASFRAAYNQULHSU-HZPDHXFCSA-N 2 2 361.490 0.876 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013420 1215924748 /nfs/dbraw/zinc/92/47/48/1215924748.db2.gz MRTGTIHLGVGTFV-NXHRZFHOSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013420 1215924750 /nfs/dbraw/zinc/92/47/50/1215924750.db2.gz MRTGTIHLGVGTFV-NXHRZFHOSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC001000258336 1216027802 /nfs/dbraw/zinc/02/78/02/1216027802.db2.gz DPKCYEQBWUTZKM-OAGGEKHMSA-N 2 2 371.485 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001001172590 1216134622 /nfs/dbraw/zinc/13/46/22/1216134622.db2.gz ZFFXEDCNIYYKKU-RBSFLKMASA-N 2 2 371.441 0.077 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001001172590 1216134624 /nfs/dbraw/zinc/13/46/24/1216134624.db2.gz ZFFXEDCNIYYKKU-RBSFLKMASA-N 2 2 371.441 0.077 20 0 FCADLP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276844338 1225658755 /nfs/dbraw/zinc/65/87/55/1225658755.db2.gz DEENBJDJDWYQMA-ACJLOTCBSA-N 2 2 362.430 0.713 20 0 FCADLP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276844338 1225658760 /nfs/dbraw/zinc/65/87/60/1225658760.db2.gz DEENBJDJDWYQMA-ACJLOTCBSA-N 2 2 362.430 0.713 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001050669877 1216347121 /nfs/dbraw/zinc/34/71/21/1216347121.db2.gz RECRCSKRXMITHP-HUUCEWRRSA-N 2 2 359.474 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC001050669954 1216347430 /nfs/dbraw/zinc/34/74/30/1216347430.db2.gz UFXXTBHBDVPQKR-OAGGEKHMSA-N 2 2 371.485 0.727 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622746 1216467690 /nfs/dbraw/zinc/46/76/90/1216467690.db2.gz XOZDOTLXFGOXHC-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051622746 1216467694 /nfs/dbraw/zinc/46/76/94/1216467694.db2.gz XOZDOTLXFGOXHC-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)cn1 ZINC001051834399 1216484813 /nfs/dbraw/zinc/48/48/13/1216484813.db2.gz MLUHVKMATZHDBT-BRWVUGGUSA-N 2 2 370.457 0.639 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834390 1216485087 /nfs/dbraw/zinc/48/50/87/1216485087.db2.gz MCTPULAXYGMKAZ-RRFJBIMHSA-N 2 2 358.446 0.274 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223165415 1225685412 /nfs/dbraw/zinc/68/54/12/1225685412.db2.gz GVAFELNUKBPLOY-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223165415 1225685416 /nfs/dbraw/zinc/68/54/16/1225685416.db2.gz GVAFELNUKBPLOY-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069902942 1216828434 /nfs/dbraw/zinc/82/84/34/1216828434.db2.gz WKHYSTLXOWTJBR-SQNIBIBYSA-N 2 2 354.458 0.914 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069902942 1216828435 /nfs/dbraw/zinc/82/84/35/1216828435.db2.gz WKHYSTLXOWTJBR-SQNIBIBYSA-N 2 2 354.458 0.914 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069902942 1216828436 /nfs/dbraw/zinc/82/84/36/1216828436.db2.gz WKHYSTLXOWTJBR-SQNIBIBYSA-N 2 2 354.458 0.914 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001069902942 1216828440 /nfs/dbraw/zinc/82/84/40/1216828440.db2.gz WKHYSTLXOWTJBR-SQNIBIBYSA-N 2 2 354.458 0.914 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930448 1216850453 /nfs/dbraw/zinc/85/04/53/1216850453.db2.gz JSMFGOOGJGSLSG-CVEARBPZSA-N 2 2 357.462 0.805 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069930448 1216850454 /nfs/dbraw/zinc/85/04/54/1216850454.db2.gz JSMFGOOGJGSLSG-CVEARBPZSA-N 2 2 357.462 0.805 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc(C)[nH+]1 ZINC001041435602 1217332391 /nfs/dbraw/zinc/33/23/91/1217332391.db2.gz OBFRGGQNODDQTH-HZPDHXFCSA-N 2 2 359.474 0.642 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nnnn3C3CC3)[C@H]2C1 ZINC001223839983 1225739428 /nfs/dbraw/zinc/73/94/28/1225739428.db2.gz VPORWZXWBCUDGF-ZBFHGGJFSA-N 2 2 361.494 0.773 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nnnn3C3CC3)[C@H]2C1 ZINC001223839983 1225739434 /nfs/dbraw/zinc/73/94/34/1225739434.db2.gz VPORWZXWBCUDGF-ZBFHGGJFSA-N 2 2 361.494 0.773 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)[C@H]2C1 ZINC001223839983 1225739441 /nfs/dbraw/zinc/73/94/41/1225739441.db2.gz VPORWZXWBCUDGF-ZBFHGGJFSA-N 2 2 361.494 0.773 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)[C@H]2C1 ZINC001223839983 1225739446 /nfs/dbraw/zinc/73/94/46/1225739446.db2.gz VPORWZXWBCUDGF-ZBFHGGJFSA-N 2 2 361.494 0.773 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001043403812 1217651691 /nfs/dbraw/zinc/65/16/91/1217651691.db2.gz IJXIEFBJOISEHY-CXAGYDPISA-N 2 2 369.473 0.928 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001043403812 1217651698 /nfs/dbraw/zinc/65/16/98/1217651698.db2.gz IJXIEFBJOISEHY-CXAGYDPISA-N 2 2 369.473 0.928 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043677461 1217701951 /nfs/dbraw/zinc/70/19/51/1217701951.db2.gz GSGZKVJKVMVIEV-IXDOHACOSA-N 2 2 359.474 0.858 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043677461 1217701954 /nfs/dbraw/zinc/70/19/54/1217701954.db2.gz GSGZKVJKVMVIEV-IXDOHACOSA-N 2 2 359.474 0.858 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190248 1225763935 /nfs/dbraw/zinc/76/39/35/1225763935.db2.gz JUQBBWMZMXEIMF-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190248 1225763938 /nfs/dbraw/zinc/76/39/38/1225763938.db2.gz JUQBBWMZMXEIMF-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190248 1225763941 /nfs/dbraw/zinc/76/39/41/1225763941.db2.gz JUQBBWMZMXEIMF-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190248 1225763943 /nfs/dbraw/zinc/76/39/43/1225763943.db2.gz JUQBBWMZMXEIMF-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001044332604 1217835743 /nfs/dbraw/zinc/83/57/43/1217835743.db2.gz AVVBJTJQQPMUEB-CABCVRRESA-N 2 2 358.446 0.779 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044452853 1217847589 /nfs/dbraw/zinc/84/75/89/1217847589.db2.gz UXJDEJSUVKEUAN-JONQDZQNSA-N 2 2 361.490 0.743 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044452853 1217847591 /nfs/dbraw/zinc/84/75/91/1217847591.db2.gz UXJDEJSUVKEUAN-JONQDZQNSA-N 2 2 361.490 0.743 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001045090933 1217899238 /nfs/dbraw/zinc/89/92/38/1217899238.db2.gz KTMGCDAGMWTNMW-HYVNUMGLSA-N 2 2 364.494 0.659 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001045090933 1217899242 /nfs/dbraw/zinc/89/92/42/1217899242.db2.gz KTMGCDAGMWTNMW-HYVNUMGLSA-N 2 2 364.494 0.659 20 0 FCADLP COCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001045511206 1217935661 /nfs/dbraw/zinc/93/56/61/1217935661.db2.gz GBKMNIHVEGNNPT-SJORKVTESA-N 2 2 369.506 0.483 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC001045680046 1217947762 /nfs/dbraw/zinc/94/77/62/1217947762.db2.gz PUNUOSJUFDIUJK-BZUAXINKSA-N 2 2 362.474 0.503 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)c2)CCO1 ZINC000900368762 1217982930 /nfs/dbraw/zinc/98/29/30/1217982930.db2.gz MDKCYJYOKOIEAQ-BPAFIMBUSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)c2)CCO1 ZINC000900368762 1217982940 /nfs/dbraw/zinc/98/29/40/1217982940.db2.gz MDKCYJYOKOIEAQ-BPAFIMBUSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)c2)CCO1 ZINC000900368762 1217982948 /nfs/dbraw/zinc/98/29/48/1217982948.db2.gz MDKCYJYOKOIEAQ-BPAFIMBUSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)c2)CCO1 ZINC000900368762 1217982955 /nfs/dbraw/zinc/98/29/55/1217982955.db2.gz MDKCYJYOKOIEAQ-BPAFIMBUSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4cnon4)C3)CC2)CC[N@@H+]1C ZINC001046033514 1217989070 /nfs/dbraw/zinc/98/90/70/1217989070.db2.gz XDWCFVOOOITAML-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4cnon4)C3)CC2)CC[N@H+]1C ZINC001046033514 1217989073 /nfs/dbraw/zinc/98/90/73/1217989073.db2.gz XDWCFVOOOITAML-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](Cc4cnon4)C3)CC2)CC[NH+]1C ZINC001046033514 1217989075 /nfs/dbraw/zinc/98/90/75/1217989075.db2.gz XDWCFVOOOITAML-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4cnon4)C3)CC2)CC[NH+]1C ZINC001046033514 1217989078 /nfs/dbraw/zinc/98/90/78/1217989078.db2.gz XDWCFVOOOITAML-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(Cc4cnon4)C3)CC2)CC[N@@H+]1C ZINC001046033514 1217989079 /nfs/dbraw/zinc/98/90/79/1217989079.db2.gz XDWCFVOOOITAML-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(Cc4cnon4)C3)CC2)CC[N@H+]1C ZINC001046033514 1217989083 /nfs/dbraw/zinc/98/90/83/1217989083.db2.gz XDWCFVOOOITAML-DJIMGWMZSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4cnon4)C3)CC2)CC[N@@H+]1C ZINC001046033515 1217989663 /nfs/dbraw/zinc/98/96/63/1217989663.db2.gz XDWCFVOOOITAML-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[NH+](Cc4cnon4)C3)CC2)CC[N@H+]1C ZINC001046033515 1217989666 /nfs/dbraw/zinc/98/96/66/1217989666.db2.gz XDWCFVOOOITAML-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[N@H+](Cc4cnon4)C3)CC2)CC[NH+]1C ZINC001046033515 1217989669 /nfs/dbraw/zinc/98/96/69/1217989669.db2.gz XDWCFVOOOITAML-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](Cc4cnon4)C3)CC2)CC[NH+]1C ZINC001046033515 1217989671 /nfs/dbraw/zinc/98/96/71/1217989671.db2.gz XDWCFVOOOITAML-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(Cc4cnon4)C3)CC2)CC[N@@H+]1C ZINC001046033515 1217989676 /nfs/dbraw/zinc/98/96/76/1217989676.db2.gz XDWCFVOOOITAML-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(Cc4cnon4)C3)CC2)CC[N@H+]1C ZINC001046033515 1217989678 /nfs/dbraw/zinc/98/96/78/1217989678.db2.gz XDWCFVOOOITAML-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000900600684 1218011254 /nfs/dbraw/zinc/01/12/54/1218011254.db2.gz KEJSJBSFZGVOFU-IKGGRYGDSA-N 2 2 367.490 0.319 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000900600684 1218011258 /nfs/dbraw/zinc/01/12/58/1218011258.db2.gz KEJSJBSFZGVOFU-IKGGRYGDSA-N 2 2 367.490 0.319 20 0 FCADLP Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668953 1218021930 /nfs/dbraw/zinc/02/19/30/1218021930.db2.gz HFQAIWUSAYYYKT-OAHLLOKOSA-N 2 2 361.490 0.591 20 0 FCADLP Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668953 1218021937 /nfs/dbraw/zinc/02/19/37/1218021937.db2.gz HFQAIWUSAYYYKT-OAHLLOKOSA-N 2 2 361.490 0.591 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900685118 1218024435 /nfs/dbraw/zinc/02/44/35/1218024435.db2.gz MCBJRVCJIKZENE-UHFFFAOYSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276982176 1225785041 /nfs/dbraw/zinc/78/50/41/1225785041.db2.gz LCKFFAGKQQVROA-LJQANCHMSA-N 2 2 353.426 0.619 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276982176 1225785046 /nfs/dbraw/zinc/78/50/46/1225785046.db2.gz LCKFFAGKQQVROA-LJQANCHMSA-N 2 2 353.426 0.619 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000900759781 1218033942 /nfs/dbraw/zinc/03/39/42/1218033942.db2.gz BQFJLCJWMKTTIY-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCN2CCCC2=O)C1 ZINC001046633796 1218059517 /nfs/dbraw/zinc/05/95/17/1218059517.db2.gz ZFKSVQZXAPMILY-CLCXKQKWSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCN2CCCC2=O)C1 ZINC001046633796 1218059524 /nfs/dbraw/zinc/05/95/24/1218059524.db2.gz ZFKSVQZXAPMILY-CLCXKQKWSA-N 2 2 359.474 0.727 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900983687 1218066531 /nfs/dbraw/zinc/06/65/31/1218066531.db2.gz IXGBMUJMTHUHHS-ABHNRTSZSA-N 2 2 369.506 0.029 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ncc(F)cn3)CC2)CC[N@@H+]1C ZINC001096307999 1218233143 /nfs/dbraw/zinc/23/31/43/1218233143.db2.gz UHEMCSIKNUHXTE-JKSUJKDBSA-N 2 2 364.469 0.584 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ncc(F)cn3)CC2)CC[N@H+]1C ZINC001096307999 1218233149 /nfs/dbraw/zinc/23/31/49/1218233149.db2.gz UHEMCSIKNUHXTE-JKSUJKDBSA-N 2 2 364.469 0.584 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1 ZINC001096350664 1218260836 /nfs/dbraw/zinc/26/08/36/1218260836.db2.gz SOCIAGMEYUQKEL-NJAFHUGGSA-N 2 2 367.453 0.983 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C(N)=O)cc1 ZINC001096350664 1218260842 /nfs/dbraw/zinc/26/08/42/1218260842.db2.gz SOCIAGMEYUQKEL-NJAFHUGGSA-N 2 2 367.453 0.983 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001096434754 1218332702 /nfs/dbraw/zinc/33/27/02/1218332702.db2.gz HVRFTCARMPXXRC-VRKREXBASA-N 2 2 355.446 0.761 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001096434754 1218332708 /nfs/dbraw/zinc/33/27/08/1218332708.db2.gz HVRFTCARMPXXRC-VRKREXBASA-N 2 2 355.446 0.761 20 0 FCADLP COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)c(C)n1 ZINC001096543451 1218474614 /nfs/dbraw/zinc/47/46/14/1218474614.db2.gz SFBMLZCNIPWWEY-SIXLDLHFSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)c(C)n1 ZINC001096543451 1218474623 /nfs/dbraw/zinc/47/46/23/1218474623.db2.gz SFBMLZCNIPWWEY-SIXLDLHFSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)c(C)n1 ZINC001096543451 1218474633 /nfs/dbraw/zinc/47/46/33/1218474633.db2.gz SFBMLZCNIPWWEY-SIXLDLHFSA-N 2 2 359.474 0.967 20 0 FCADLP COc1ncc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)c(C)n1 ZINC001096543451 1218474649 /nfs/dbraw/zinc/47/46/49/1218474649.db2.gz SFBMLZCNIPWWEY-SIXLDLHFSA-N 2 2 359.474 0.967 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC001049538841 1218480287 /nfs/dbraw/zinc/48/02/87/1218480287.db2.gz ZSNOTYVIRUOSJP-SRABZTEZSA-N 2 2 355.446 0.870 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC001049538841 1218480293 /nfs/dbraw/zinc/48/02/93/1218480293.db2.gz ZSNOTYVIRUOSJP-SRABZTEZSA-N 2 2 355.446 0.870 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)NC2CC2)O1 ZINC001049547469 1218484974 /nfs/dbraw/zinc/48/49/74/1218484974.db2.gz FHRVKWRLCODZFL-BSWAZPDLSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CC(=O)NC2CC2)O1 ZINC001049547469 1218484979 /nfs/dbraw/zinc/48/49/79/1218484979.db2.gz FHRVKWRLCODZFL-BSWAZPDLSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)O1 ZINC001049547469 1218484982 /nfs/dbraw/zinc/48/49/82/1218484982.db2.gz FHRVKWRLCODZFL-BSWAZPDLSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)O1 ZINC001049547469 1218484989 /nfs/dbraw/zinc/48/49/89/1218484989.db2.gz FHRVKWRLCODZFL-BSWAZPDLSA-N 2 2 364.490 0.049 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC001049733751 1218539351 /nfs/dbraw/zinc/53/93/51/1218539351.db2.gz BZSKEKJVFSGSJK-VQHPVUNQSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049733751 1218539361 /nfs/dbraw/zinc/53/93/61/1218539361.db2.gz BZSKEKJVFSGSJK-VQHPVUNQSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC001049733756 1218539418 /nfs/dbraw/zinc/53/94/18/1218539418.db2.gz BZSKEKJVFSGSJK-WCXIOVBPSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049733756 1218539422 /nfs/dbraw/zinc/53/94/22/1218539422.db2.gz BZSKEKJVFSGSJK-WCXIOVBPSA-N 2 2 371.485 0.868 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)n1 ZINC001097095123 1218687775 /nfs/dbraw/zinc/68/77/75/1218687775.db2.gz AGLREWHKBPSQSH-OIISXLGYSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)n1 ZINC001097095123 1218687782 /nfs/dbraw/zinc/68/77/82/1218687782.db2.gz AGLREWHKBPSQSH-OIISXLGYSA-N 2 2 374.489 0.058 20 0 FCADLP C[C@H]1CN(C(=O)c2cncc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)c2)CC[NH+]1C ZINC000748344673 1218699442 /nfs/dbraw/zinc/69/94/42/1218699442.db2.gz FGLWWRYTOILEQY-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1CN(C(=O)c2cncc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)c2)CC[NH+]1C ZINC000748344673 1218699448 /nfs/dbraw/zinc/69/94/48/1218699448.db2.gz FGLWWRYTOILEQY-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215794 1218724097 /nfs/dbraw/zinc/72/40/97/1218724097.db2.gz FHZBBGQXWRTZNM-NCOADZHNSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215794 1218724104 /nfs/dbraw/zinc/72/41/04/1218724104.db2.gz FHZBBGQXWRTZNM-NCOADZHNSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001097215794 1218724106 /nfs/dbraw/zinc/72/41/06/1218724106.db2.gz FHZBBGQXWRTZNM-NCOADZHNSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001097215794 1218724111 /nfs/dbraw/zinc/72/41/11/1218724111.db2.gz FHZBBGQXWRTZNM-NCOADZHNSA-N 2 2 364.490 0.097 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001097373160 1218794469 /nfs/dbraw/zinc/79/44/69/1218794469.db2.gz LJASROBXGSQJMX-AHCXZYCDSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001097373160 1218794476 /nfs/dbraw/zinc/79/44/76/1218794476.db2.gz LJASROBXGSQJMX-AHCXZYCDSA-N 2 2 371.485 0.789 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001097398429 1218801518 /nfs/dbraw/zinc/80/15/18/1218801518.db2.gz JGJLROHYQRNNKM-VDNDLQMASA-N 2 2 353.426 0.866 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001097398429 1218801519 /nfs/dbraw/zinc/80/15/19/1218801519.db2.gz JGJLROHYQRNNKM-VDNDLQMASA-N 2 2 353.426 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736751 1218862307 /nfs/dbraw/zinc/86/23/07/1218862307.db2.gz RJNUBSXBTNSFTL-ARFHVFGLSA-N 2 2 369.473 0.958 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736751 1218862308 /nfs/dbraw/zinc/86/23/08/1218862308.db2.gz RJNUBSXBTNSFTL-ARFHVFGLSA-N 2 2 369.473 0.958 20 0 FCADLP O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCO)CC1)[C@]12C[C@H]1COC2 ZINC001052989398 1218870290 /nfs/dbraw/zinc/87/02/90/1218870290.db2.gz CWTVIGVVNZGUKI-BOLBYERCSA-N 2 2 363.502 0.545 20 0 FCADLP O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCO)CC1)[C@]12C[C@H]1COC2 ZINC001052989398 1218870291 /nfs/dbraw/zinc/87/02/91/1218870291.db2.gz CWTVIGVVNZGUKI-BOLBYERCSA-N 2 2 363.502 0.545 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055034589 1218979585 /nfs/dbraw/zinc/97/95/85/1218979585.db2.gz XIBZSTWVRACUPY-DACLVMHWSA-N 2 2 370.501 0.642 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055034589 1218979590 /nfs/dbraw/zinc/97/95/90/1218979590.db2.gz XIBZSTWVRACUPY-DACLVMHWSA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001055034589 1218979595 /nfs/dbraw/zinc/97/95/95/1218979595.db2.gz XIBZSTWVRACUPY-DACLVMHWSA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001055034589 1218979599 /nfs/dbraw/zinc/97/95/99/1218979599.db2.gz XIBZSTWVRACUPY-DACLVMHWSA-N 2 2 370.501 0.642 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001055341486 1219030241 /nfs/dbraw/zinc/03/02/41/1219030241.db2.gz GNMKBYJSGCCKGQ-MXYBEHONSA-N 2 2 355.446 0.541 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001055341486 1219030243 /nfs/dbraw/zinc/03/02/43/1219030243.db2.gz GNMKBYJSGCCKGQ-MXYBEHONSA-N 2 2 355.446 0.541 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227176096 1225865448 /nfs/dbraw/zinc/86/54/48/1225865448.db2.gz TVNRUWKGYSXOHL-ARFHVFGLSA-N 2 2 361.490 0.987 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211314 1225866247 /nfs/dbraw/zinc/86/62/47/1225866247.db2.gz DTLYYWYLGHIFGQ-HUUCEWRRSA-N 2 2 365.478 0.893 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001055551485 1219077149 /nfs/dbraw/zinc/07/71/49/1219077149.db2.gz TZGHWBPUCWKZNC-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001055551485 1219077153 /nfs/dbraw/zinc/07/71/53/1219077153.db2.gz TZGHWBPUCWKZNC-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055736 1219109262 /nfs/dbraw/zinc/10/92/62/1219109262.db2.gz HOXQOZHTMGFSNJ-DJIMGWMZSA-N 2 2 374.441 0.041 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055736 1219109264 /nfs/dbraw/zinc/10/92/64/1219109264.db2.gz HOXQOZHTMGFSNJ-DJIMGWMZSA-N 2 2 374.441 0.041 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000804063065 1219118256 /nfs/dbraw/zinc/11/82/56/1219118256.db2.gz OYDZZFFWXHTOQS-OWCLPIDISA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000804063065 1219118262 /nfs/dbraw/zinc/11/82/62/1219118262.db2.gz OYDZZFFWXHTOQS-OWCLPIDISA-N 2 2 361.446 0.026 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113407 1219118845 /nfs/dbraw/zinc/11/88/45/1219118845.db2.gz VVGQRZORFYLYRG-MPESAESLSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113407 1219118847 /nfs/dbraw/zinc/11/88/47/1219118847.db2.gz VVGQRZORFYLYRG-MPESAESLSA-N 2 2 354.414 0.476 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060399 1219121071 /nfs/dbraw/zinc/12/10/71/1219121071.db2.gz UJIJNCJMRQRQKU-BBWFWOEESA-N 2 2 364.494 0.386 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060399 1219121074 /nfs/dbraw/zinc/12/10/74/1219121074.db2.gz UJIJNCJMRQRQKU-BBWFWOEESA-N 2 2 364.494 0.386 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](n3ccnn3)C2)o1 ZINC001070078229 1219146396 /nfs/dbraw/zinc/14/63/96/1219146396.db2.gz ZQZLPJPROZYWBT-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](n3ccnn3)C2)o1 ZINC001070078229 1219146402 /nfs/dbraw/zinc/14/64/02/1219146402.db2.gz ZQZLPJPROZYWBT-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070088876 1219159589 /nfs/dbraw/zinc/15/95/89/1219159589.db2.gz JZKVPXWOBQUHNG-BMFZPTHFSA-N 2 2 361.450 0.319 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070088876 1219159592 /nfs/dbraw/zinc/15/95/92/1219159592.db2.gz JZKVPXWOBQUHNG-BMFZPTHFSA-N 2 2 361.450 0.319 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096413 1219167710 /nfs/dbraw/zinc/16/77/10/1219167710.db2.gz YOAUCZLUYPBGBH-ZACQAIPSSA-N 2 2 355.446 0.167 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096413 1219167713 /nfs/dbraw/zinc/16/77/13/1219167713.db2.gz YOAUCZLUYPBGBH-ZACQAIPSSA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096413 1219167717 /nfs/dbraw/zinc/16/77/17/1219167717.db2.gz YOAUCZLUYPBGBH-ZACQAIPSSA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096413 1219167720 /nfs/dbraw/zinc/16/77/20/1219167720.db2.gz YOAUCZLUYPBGBH-ZACQAIPSSA-N 2 2 355.446 0.167 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097479 1219168732 /nfs/dbraw/zinc/16/87/32/1219168732.db2.gz VBUQTYVLVWYAFU-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097479 1219168734 /nfs/dbraw/zinc/16/87/34/1219168734.db2.gz VBUQTYVLVWYAFU-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097479 1219168735 /nfs/dbraw/zinc/16/87/35/1219168735.db2.gz VBUQTYVLVWYAFU-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097479 1219168737 /nfs/dbraw/zinc/16/87/37/1219168737.db2.gz VBUQTYVLVWYAFU-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100239 1219174563 /nfs/dbraw/zinc/17/45/63/1219174563.db2.gz LJJJMOWIKKVBDZ-IKGGRYGDSA-N 2 2 362.478 0.307 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100239 1219174568 /nfs/dbraw/zinc/17/45/68/1219174568.db2.gz LJJJMOWIKKVBDZ-IKGGRYGDSA-N 2 2 362.478 0.307 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100239 1219174571 /nfs/dbraw/zinc/17/45/71/1219174571.db2.gz LJJJMOWIKKVBDZ-IKGGRYGDSA-N 2 2 362.478 0.307 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100239 1219174575 /nfs/dbraw/zinc/17/45/75/1219174575.db2.gz LJJJMOWIKKVBDZ-IKGGRYGDSA-N 2 2 362.478 0.307 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070109374 1219183910 /nfs/dbraw/zinc/18/39/10/1219183910.db2.gz ULGZBXWGCZAALK-XHSDSOJGSA-N 2 2 359.434 0.085 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070109374 1219183915 /nfs/dbraw/zinc/18/39/15/1219183915.db2.gz ULGZBXWGCZAALK-XHSDSOJGSA-N 2 2 359.434 0.085 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070197177 1219287697 /nfs/dbraw/zinc/28/76/97/1219287697.db2.gz RBKPULIBMWMYKR-SRABZTEZSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070197177 1219287701 /nfs/dbraw/zinc/28/77/01/1219287701.db2.gz RBKPULIBMWMYKR-SRABZTEZSA-N 2 2 373.461 0.456 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070198327 1219288642 /nfs/dbraw/zinc/28/86/42/1219288642.db2.gz ZMNVJRFYFGGDRU-HZMVEIRTSA-N 2 2 373.461 0.538 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070198327 1219288646 /nfs/dbraw/zinc/28/86/46/1219288646.db2.gz ZMNVJRFYFGGDRU-HZMVEIRTSA-N 2 2 373.461 0.538 20 0 FCADLP CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2[nH+]ccn2C)C1=O ZINC001227681096 1225881678 /nfs/dbraw/zinc/88/16/78/1225881678.db2.gz QBMIKFWYCNBQFQ-BZUAXINKSA-N 2 2 361.490 0.991 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cc3[nH]cc[nH+]3)CCOCC2)CC[N@@H+]1C ZINC001070221162 1219303706 /nfs/dbraw/zinc/30/37/06/1219303706.db2.gz SPEIWZHVBCJUFY-ZIAGYGMSSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cc3[nH]cc[nH+]3)CCOCC2)CC[N@H+]1C ZINC001070221162 1219303711 /nfs/dbraw/zinc/30/37/11/1219303711.db2.gz SPEIWZHVBCJUFY-ZIAGYGMSSA-N 2 2 363.462 0.074 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001070284822 1219349664 /nfs/dbraw/zinc/34/96/64/1219349664.db2.gz WVEHCAIEHQWEJZ-SJORKVTESA-N 2 2 369.404 0.925 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1n1ccnn1 ZINC001070294961 1219355554 /nfs/dbraw/zinc/35/55/54/1219355554.db2.gz DUUGUJCKJSWKLO-CVEARBPZSA-N 2 2 353.430 0.838 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1)c1cnccn1 ZINC001070327944 1219378039 /nfs/dbraw/zinc/37/80/39/1219378039.db2.gz KSSMDQKBAFOSKH-UAGQMJEPSA-N 2 2 370.461 0.267 20 0 FCADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070328130 1219379261 /nfs/dbraw/zinc/37/92/61/1219379261.db2.gz PIRXOVSRPARQGJ-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070384728 1219408233 /nfs/dbraw/zinc/40/82/33/1219408233.db2.gz GLMZBIHGIWYSKP-QAPCUYQASA-N 2 2 365.453 0.718 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NCC(C)(C)C)CC2)O1 ZINC001227954241 1225891889 /nfs/dbraw/zinc/89/18/89/1225891889.db2.gz QFSCRPQQPUNGFL-GDBMZVCRSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NCC(C)(C)C)CC2)O1 ZINC001227954241 1225891890 /nfs/dbraw/zinc/89/18/90/1225891890.db2.gz QFSCRPQQPUNGFL-GDBMZVCRSA-N 2 2 368.522 0.448 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]C[C@@H]2CCOC2)c1 ZINC001070549993 1219465247 /nfs/dbraw/zinc/46/52/47/1219465247.db2.gz XJEPNVWXAHFWPX-OFQRWUPVSA-N 2 2 358.446 0.306 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001070660369 1219512162 /nfs/dbraw/zinc/51/21/62/1219512162.db2.gz AMABYSXVLPUQEH-BZUAXINKSA-N 2 2 371.489 0.635 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070723871 1219543915 /nfs/dbraw/zinc/54/39/15/1219543915.db2.gz VDLPWKRFQVOIJJ-HZPDHXFCSA-N 2 2 368.445 0.135 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001070922197 1219579269 /nfs/dbraw/zinc/57/92/69/1219579269.db2.gz CXPLTBVLXXFFTN-IMJJTQAJSA-N 2 2 361.446 0.775 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001070922197 1219579272 /nfs/dbraw/zinc/57/92/72/1219579272.db2.gz CXPLTBVLXXFFTN-IMJJTQAJSA-N 2 2 361.446 0.775 20 0 FCADLP CC(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001071001180 1219587615 /nfs/dbraw/zinc/58/76/15/1219587615.db2.gz JSSBDIOWCRUVMW-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001071001180 1219587622 /nfs/dbraw/zinc/58/76/22/1219587622.db2.gz JSSBDIOWCRUVMW-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1 ZINC001071091700 1219604373 /nfs/dbraw/zinc/60/43/73/1219604373.db2.gz REHRPAAJSWDGCG-BJZITVGISA-N 2 2 362.474 0.974 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1 ZINC001071107844 1219608887 /nfs/dbraw/zinc/60/88/87/1219608887.db2.gz POVPQQVQPQOSHL-SUMDDJOVSA-N 2 2 362.474 0.905 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071362323 1219615136 /nfs/dbraw/zinc/61/51/36/1219615136.db2.gz JFLHLFOKQYPOAK-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1noc([C@H](C)[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850462 1219624510 /nfs/dbraw/zinc/62/45/10/1219624510.db2.gz YVMNFPZEKVLGPE-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1noc([C@H](C)[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850462 1219624512 /nfs/dbraw/zinc/62/45/12/1219624512.db2.gz YVMNFPZEKVLGPE-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1noc([C@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850462 1219624514 /nfs/dbraw/zinc/62/45/14/1219624514.db2.gz YVMNFPZEKVLGPE-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1noc([C@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850462 1219624516 /nfs/dbraw/zinc/62/45/16/1219624516.db2.gz YVMNFPZEKVLGPE-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP C[C@@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849754 1219624890 /nfs/dbraw/zinc/62/48/90/1219624890.db2.gz KTKNPZQIJCMSMO-QLFBSQMISA-N 2 2 362.478 0.130 20 0 FCADLP C[C@@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849754 1219624892 /nfs/dbraw/zinc/62/48/92/1219624892.db2.gz KTKNPZQIJCMSMO-QLFBSQMISA-N 2 2 362.478 0.130 20 0 FCADLP C[C@@H](c1nncn1C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849754 1219624894 /nfs/dbraw/zinc/62/48/94/1219624894.db2.gz KTKNPZQIJCMSMO-QLFBSQMISA-N 2 2 362.478 0.130 20 0 FCADLP C[C@@H](c1nncn1C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849754 1219624896 /nfs/dbraw/zinc/62/48/96/1219624896.db2.gz KTKNPZQIJCMSMO-QLFBSQMISA-N 2 2 362.478 0.130 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994649 1219630063 /nfs/dbraw/zinc/63/00/63/1219630063.db2.gz LDHFUHVAGUAJTH-RRFJBIMHSA-N 2 2 359.474 0.535 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994649 1219630064 /nfs/dbraw/zinc/63/00/64/1219630064.db2.gz LDHFUHVAGUAJTH-RRFJBIMHSA-N 2 2 359.474 0.535 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001072994920 1219630776 /nfs/dbraw/zinc/63/07/76/1219630776.db2.gz ZQIXRZZBLTXHIH-RBSFLKMASA-N 2 2 357.458 0.289 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001072994920 1219630778 /nfs/dbraw/zinc/63/07/78/1219630778.db2.gz ZQIXRZZBLTXHIH-RBSFLKMASA-N 2 2 357.458 0.289 20 0 FCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709518 1219677838 /nfs/dbraw/zinc/67/78/38/1219677838.db2.gz YMLAKCCWMBARDG-SQNIBIBYSA-N 2 2 369.506 0.482 20 0 FCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709518 1219677840 /nfs/dbraw/zinc/67/78/40/1219677840.db2.gz YMLAKCCWMBARDG-SQNIBIBYSA-N 2 2 369.506 0.482 20 0 FCADLP COc1cncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074710832 1219717804 /nfs/dbraw/zinc/71/78/04/1219717804.db2.gz GZIMBRWJHLUJCV-BFJAYTPKSA-N 2 2 363.462 0.283 20 0 FCADLP COc1cncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001074710832 1219717806 /nfs/dbraw/zinc/71/78/06/1219717806.db2.gz GZIMBRWJHLUJCV-BFJAYTPKSA-N 2 2 363.462 0.283 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223731 1219744037 /nfs/dbraw/zinc/74/40/37/1219744037.db2.gz YZAUUELMDGKSCC-OAGGEKHMSA-N 2 2 358.490 0.924 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223731 1219744040 /nfs/dbraw/zinc/74/40/40/1219744040.db2.gz YZAUUELMDGKSCC-OAGGEKHMSA-N 2 2 358.490 0.924 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001098230941 1219745055 /nfs/dbraw/zinc/74/50/55/1219745055.db2.gz UPXQQDGFTGVHPJ-OYNZBZHQSA-N 2 2 371.441 0.288 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001098230941 1219745060 /nfs/dbraw/zinc/74/50/60/1219745060.db2.gz UPXQQDGFTGVHPJ-OYNZBZHQSA-N 2 2 371.441 0.288 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001098285667 1219752474 /nfs/dbraw/zinc/75/24/74/1219752474.db2.gz HVRFTCARMPXXRC-CLWVCHIJSA-N 2 2 355.446 0.761 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001098285667 1219752476 /nfs/dbraw/zinc/75/24/76/1219752476.db2.gz HVRFTCARMPXXRC-CLWVCHIJSA-N 2 2 355.446 0.761 20 0 FCADLP NC(=O)c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC001098492538 1219797141 /nfs/dbraw/zinc/79/71/41/1219797141.db2.gz VGEBXKDPRKBDRH-ZACQAIPSSA-N 2 2 353.426 0.904 20 0 FCADLP NC(=O)c1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC001098492538 1219797145 /nfs/dbraw/zinc/79/71/45/1219797145.db2.gz VGEBXKDPRKBDRH-ZACQAIPSSA-N 2 2 353.426 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CC[NH+](CCO)CC2)O1 ZINC001098638943 1219806962 /nfs/dbraw/zinc/80/69/62/1219806962.db2.gz GVKMAZIGZCKGII-BZUAXINKSA-N 2 2 362.474 0.598 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1)NC1CC1 ZINC001098910177 1219859767 /nfs/dbraw/zinc/85/97/67/1219859767.db2.gz GUTDMOQZNIKKHX-AVYPCKFXSA-N 2 2 371.485 0.695 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1)NC1CC1 ZINC001098910177 1219859769 /nfs/dbraw/zinc/85/97/69/1219859769.db2.gz GUTDMOQZNIKKHX-AVYPCKFXSA-N 2 2 371.485 0.695 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099011218 1219888316 /nfs/dbraw/zinc/88/83/16/1219888316.db2.gz WOOLAYMJUIOLAY-YEWWUXTCSA-N 2 2 361.494 0.584 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099011218 1219888317 /nfs/dbraw/zinc/88/83/17/1219888317.db2.gz WOOLAYMJUIOLAY-YEWWUXTCSA-N 2 2 361.494 0.584 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246392 1219889537 /nfs/dbraw/zinc/88/95/37/1219889537.db2.gz NZNZCHIBFFWMDT-UONOGXRCSA-N 2 2 361.446 0.374 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246392 1219889540 /nfs/dbraw/zinc/88/95/40/1219889540.db2.gz NZNZCHIBFFWMDT-UONOGXRCSA-N 2 2 361.446 0.374 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099121181 1219920346 /nfs/dbraw/zinc/92/03/46/1219920346.db2.gz RCPBDDAYJMSHJO-KHYOSLBOSA-N 2 2 369.473 0.712 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099121181 1219920349 /nfs/dbraw/zinc/92/03/49/1219920349.db2.gz RCPBDDAYJMSHJO-KHYOSLBOSA-N 2 2 369.473 0.712 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122961 1219922025 /nfs/dbraw/zinc/92/20/25/1219922025.db2.gz MLKAFZRCJIHDFL-KXBFYZLASA-N 2 2 358.490 0.865 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122961 1219922030 /nfs/dbraw/zinc/92/20/30/1219922030.db2.gz MLKAFZRCJIHDFL-KXBFYZLASA-N 2 2 358.490 0.865 20 0 FCADLP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C(F)(F)F)cn1 ZINC001099348912 1219972577 /nfs/dbraw/zinc/97/25/77/1219972577.db2.gz OFEGVDNMRHRRRJ-ZIAGYGMSSA-N 2 2 370.379 0.838 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099470258 1220006461 /nfs/dbraw/zinc/00/64/61/1220006461.db2.gz ULAZRCLNNXDTAY-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2)c1nnnn1C ZINC001099506821 1220017553 /nfs/dbraw/zinc/01/75/53/1220017553.db2.gz VMLFUBQSYIDWHR-DCGLDWPTSA-N 2 2 358.450 0.455 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001099507002 1220017907 /nfs/dbraw/zinc/01/79/07/1220017907.db2.gz YWESVFQFGGGRBA-UGSOOPFHSA-N 2 2 370.461 0.692 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001099531111 1220024468 /nfs/dbraw/zinc/02/44/68/1220024468.db2.gz BVMZAXCQFIUQSZ-KHYOSLBOSA-N 2 2 359.474 0.758 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)C(=O)Nc1ncccn1 ZINC001228799968 1225951648 /nfs/dbraw/zinc/95/16/48/1225951648.db2.gz CGJOCTDUOVNNNC-NWANDNLSSA-N 2 2 371.445 0.786 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3C(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001277331682 1225953788 /nfs/dbraw/zinc/95/37/88/1225953788.db2.gz ORSDXYZYAZKRMT-KUHUBIRLSA-N 2 2 357.458 0.408 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001101260989 1220253492 /nfs/dbraw/zinc/25/34/92/1220253492.db2.gz XERHZUSWXOUJON-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001101260989 1220253497 /nfs/dbraw/zinc/25/34/97/1220253497.db2.gz XERHZUSWXOUJON-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001101272363 1220259956 /nfs/dbraw/zinc/25/99/56/1220259956.db2.gz IOMFQOXHGZMMLD-NLDJYOPPSA-N 2 2 371.485 0.820 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001101272363 1220259957 /nfs/dbraw/zinc/25/99/57/1220259957.db2.gz IOMFQOXHGZMMLD-NLDJYOPPSA-N 2 2 371.485 0.820 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101282849 1220265942 /nfs/dbraw/zinc/26/59/42/1220265942.db2.gz HVTOLXJWGKWCKM-CLCXKQKWSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101282849 1220265944 /nfs/dbraw/zinc/26/59/44/1220265944.db2.gz HVTOLXJWGKWCKM-CLCXKQKWSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101282737 1220266197 /nfs/dbraw/zinc/26/61/97/1220266197.db2.gz BYLMSXSNEOYLTK-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101282737 1220266201 /nfs/dbraw/zinc/26/62/01/1220266201.db2.gz BYLMSXSNEOYLTK-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342883 1220295235 /nfs/dbraw/zinc/29/52/35/1220295235.db2.gz RUANBWGMVGWZRD-VBQJREDUSA-N 2 2 361.494 0.393 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342883 1220295237 /nfs/dbraw/zinc/29/52/37/1220295237.db2.gz RUANBWGMVGWZRD-VBQJREDUSA-N 2 2 361.494 0.393 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101344779 1220295442 /nfs/dbraw/zinc/29/54/42/1220295442.db2.gz CSWIQCZDFBUIAI-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101344779 1220295448 /nfs/dbraw/zinc/29/54/48/1220295448.db2.gz CSWIQCZDFBUIAI-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP 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C[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616520 1220736828 /nfs/dbraw/zinc/73/68/28/1220736828.db2.gz FWAUFFHQSSJFJS-BZUAXINKSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616520 1220736830 /nfs/dbraw/zinc/73/68/30/1220736830.db2.gz FWAUFFHQSSJFJS-BZUAXINKSA-N 2 2 361.490 0.967 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818864 1220792316 /nfs/dbraw/zinc/79/23/16/1220792316.db2.gz KLNGQWKYAIDZTI-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818864 1220792323 /nfs/dbraw/zinc/79/23/23/1220792323.db2.gz KLNGQWKYAIDZTI-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818864 1220792331 /nfs/dbraw/zinc/79/23/31/1220792331.db2.gz KLNGQWKYAIDZTI-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP 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C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258807 1220857210 /nfs/dbraw/zinc/85/72/10/1220857210.db2.gz STCQIKCYLGMAJR-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)NCc1cccnc1 ZINC001229300987 1225998107 /nfs/dbraw/zinc/99/81/07/1225998107.db2.gz IJMRVISSOBOKQY-HZPDHXFCSA-N 2 2 370.457 0.681 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103451941 1220886233 /nfs/dbraw/zinc/88/62/33/1220886233.db2.gz CWOXUBUDCBULLU-KLHDSHLOSA-N 2 2 361.490 0.734 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001103451941 1220886235 /nfs/dbraw/zinc/88/62/35/1220886235.db2.gz CWOXUBUDCBULLU-KLHDSHLOSA-N 2 2 361.490 0.734 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001103606446 1220912734 /nfs/dbraw/zinc/91/27/34/1220912734.db2.gz IPRJWNHFZGDOTG-ZIAGYGMSSA-N 2 2 356.430 0.440 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001103606446 1220912737 /nfs/dbraw/zinc/91/27/37/1220912737.db2.gz IPRJWNHFZGDOTG-ZIAGYGMSSA-N 2 2 356.430 0.440 20 0 FCADLP CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)no1 ZINC001103641791 1220924235 /nfs/dbraw/zinc/92/42/35/1220924235.db2.gz DRNMEDUWQSCZNS-HUUCEWRRSA-N 2 2 367.494 0.784 20 0 FCADLP CCc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C2)no1 ZINC001103641791 1220924239 /nfs/dbraw/zinc/92/42/39/1220924239.db2.gz DRNMEDUWQSCZNS-HUUCEWRRSA-N 2 2 367.494 0.784 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103677305 1220934479 /nfs/dbraw/zinc/93/44/79/1220934479.db2.gz WCTOUSUQJSPDSP-KYOSRNDESA-N 2 2 361.446 0.140 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103677305 1220934485 /nfs/dbraw/zinc/93/44/85/1220934485.db2.gz WCTOUSUQJSPDSP-KYOSRNDESA-N 2 2 361.446 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779156 1220971700 /nfs/dbraw/zinc/97/17/00/1220971700.db2.gz OYPVAJHCVJTETM-NVXWUHKLSA-N 2 2 361.490 0.826 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779156 1220971704 /nfs/dbraw/zinc/97/17/04/1220971704.db2.gz OYPVAJHCVJTETM-NVXWUHKLSA-N 2 2 361.490 0.826 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779233 1220971998 /nfs/dbraw/zinc/97/19/98/1220971998.db2.gz SQTCQLIBHWCVTE-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779233 1220972001 /nfs/dbraw/zinc/97/20/01/1220972001.db2.gz SQTCQLIBHWCVTE-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP Cc1ccnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033734 1221001014 /nfs/dbraw/zinc/00/10/14/1221001014.db2.gz FTWMHMJPVHBTLL-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033734 1221001017 /nfs/dbraw/zinc/00/10/17/1221001017.db2.gz FTWMHMJPVHBTLL-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP CCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033896 1221001580 /nfs/dbraw/zinc/00/15/80/1221001580.db2.gz KVXAJWZACNZLMZ-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033896 1221001584 /nfs/dbraw/zinc/00/15/84/1221001584.db2.gz KVXAJWZACNZLMZ-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104185766 1221018196 /nfs/dbraw/zinc/01/81/96/1221018196.db2.gz NMXDBTQONJRQJC-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104185766 1221018199 /nfs/dbraw/zinc/01/81/99/1221018199.db2.gz NMXDBTQONJRQJC-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658633 1221055281 /nfs/dbraw/zinc/05/52/81/1221055281.db2.gz IMGYGQOTGRIFNW-QKLQHJQFSA-N 2 2 362.518 0.920 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658633 1221055285 /nfs/dbraw/zinc/05/52/85/1221055285.db2.gz IMGYGQOTGRIFNW-QKLQHJQFSA-N 2 2 362.518 0.920 20 0 FCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658633 1221055290 /nfs/dbraw/zinc/05/52/90/1221055290.db2.gz IMGYGQOTGRIFNW-QKLQHJQFSA-N 2 2 362.518 0.920 20 0 FCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658633 1221055294 /nfs/dbraw/zinc/05/52/94/1221055294.db2.gz IMGYGQOTGRIFNW-QKLQHJQFSA-N 2 2 362.518 0.920 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111773541 1221102199 /nfs/dbraw/zinc/10/21/99/1221102199.db2.gz BQQMAWXWDDSAJD-YEWDVWPNSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111773541 1221102202 /nfs/dbraw/zinc/10/22/02/1221102202.db2.gz BQQMAWXWDDSAJD-YEWDVWPNSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111773541 1221102203 /nfs/dbraw/zinc/10/22/03/1221102203.db2.gz BQQMAWXWDDSAJD-YEWDVWPNSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111773541 1221102204 /nfs/dbraw/zinc/10/22/04/1221102204.db2.gz BQQMAWXWDDSAJD-YEWDVWPNSA-N 2 2 359.430 0.118 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccon1)C2 ZINC001111858321 1221139878 /nfs/dbraw/zinc/13/98/78/1221139878.db2.gz ZERUWBQJBJOSRT-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccon1)C2 ZINC001111858321 1221139883 /nfs/dbraw/zinc/13/98/83/1221139883.db2.gz ZERUWBQJBJOSRT-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861255 1221140600 /nfs/dbraw/zinc/14/06/00/1221140600.db2.gz DFCGXEOENUYQLV-GLJUWKHASA-N 2 2 361.494 0.991 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861255 1221140604 /nfs/dbraw/zinc/14/06/04/1221140604.db2.gz DFCGXEOENUYQLV-GLJUWKHASA-N 2 2 361.494 0.991 20 0 FCADLP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000782274007 1221140633 /nfs/dbraw/zinc/14/06/33/1221140633.db2.gz QXJUFYKTJKGRRU-MRXNPFEDSA-N 2 2 366.506 0.456 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962890 1221187177 /nfs/dbraw/zinc/18/71/77/1221187177.db2.gz WTDKFBUPPCTOJI-KXBFYZLASA-N 2 2 361.490 0.850 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962890 1221187181 /nfs/dbraw/zinc/18/71/81/1221187181.db2.gz WTDKFBUPPCTOJI-KXBFYZLASA-N 2 2 361.490 0.850 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001112021432 1221202801 /nfs/dbraw/zinc/20/28/01/1221202801.db2.gz NHICZOPMQMTGAR-QOKNQOGYSA-N 2 2 359.474 0.769 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001112021432 1221202806 /nfs/dbraw/zinc/20/28/06/1221202806.db2.gz NHICZOPMQMTGAR-QOKNQOGYSA-N 2 2 359.474 0.769 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112167744 1221212136 /nfs/dbraw/zinc/21/21/36/1221212136.db2.gz CDCXZRJZODHXQX-DDHJBXDOSA-N 2 2 373.379 0.249 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001112438611 1221259560 /nfs/dbraw/zinc/25/95/60/1221259560.db2.gz HTRMDMVIBPYKDT-DOXZYTNZSA-N 2 2 359.474 0.410 20 0 FCADLP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001229693259 1226028099 /nfs/dbraw/zinc/02/80/99/1226028099.db2.gz QCMUMSZWAUWPBC-IAGOWNOFSA-N 2 2 361.490 0.991 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001117116265 1221469882 /nfs/dbraw/zinc/46/98/82/1221469882.db2.gz FAPOGEFGTXNSKR-UHFFFAOYSA-N 2 2 363.462 0.274 20 0 FCADLP CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]cn2C)C1=O ZINC001230019346 1226046467 /nfs/dbraw/zinc/04/64/67/1226046467.db2.gz VFGDHCBASYNCCF-BRWVUGGUSA-N 2 2 361.490 0.991 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001230338272 1226074940 /nfs/dbraw/zinc/07/49/40/1226074940.db2.gz DFARQXALCKHBMS-BFHYXJOUSA-N 2 2 364.450 0.264 20 0 FCADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001119300822 1221898496 /nfs/dbraw/zinc/89/84/96/1221898496.db2.gz HVEOBAUQNLDXJL-SFHVURJKSA-N 2 2 374.533 0.968 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001119406465 1221912991 /nfs/dbraw/zinc/91/29/91/1221912991.db2.gz LLLSBYHADQVKQU-RHSMWYFYSA-N 2 2 360.458 0.083 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC001119599071 1221938661 /nfs/dbraw/zinc/93/86/61/1221938661.db2.gz ZCGONYSBTCCJCJ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC001119599071 1221938667 /nfs/dbraw/zinc/93/86/67/1221938667.db2.gz ZCGONYSBTCCJCJ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001120492127 1222094669 /nfs/dbraw/zinc/09/46/69/1222094669.db2.gz GDIFQPVKGJSXDS-AWEZNQCLSA-N 2 2 354.414 0.358 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001120970122 1222135203 /nfs/dbraw/zinc/13/52/03/1222135203.db2.gz NFFRRGQFVOUMCR-KRWDZBQOSA-N 2 2 360.458 0.320 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001120970122 1222135210 /nfs/dbraw/zinc/13/52/10/1222135210.db2.gz NFFRRGQFVOUMCR-KRWDZBQOSA-N 2 2 360.458 0.320 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)o1 ZINC001277500435 1226103785 /nfs/dbraw/zinc/10/37/85/1226103785.db2.gz ZSGVVVXYZHHZMJ-GOSISDBHSA-N 2 2 359.430 0.991 20 0 FCADLP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)o1 ZINC001277500435 1226103786 /nfs/dbraw/zinc/10/37/86/1226103786.db2.gz ZSGVVVXYZHHZMJ-GOSISDBHSA-N 2 2 359.430 0.991 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C3=[NH+]O[C@@H](CO)C3)n2CC(C)C)CC1 ZINC001122774508 1222295158 /nfs/dbraw/zinc/29/51/58/1222295158.db2.gz BVZSRXNKGBWCBB-CQSZACIVSA-N 2 2 366.466 0.188 20 0 FCADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001122834497 1222300142 /nfs/dbraw/zinc/30/01/42/1222300142.db2.gz AOKDWWJINYVZPS-RBSFLKMASA-N 2 2 365.478 0.517 20 0 FCADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001122834497 1222300147 /nfs/dbraw/zinc/30/01/47/1222300147.db2.gz AOKDWWJINYVZPS-RBSFLKMASA-N 2 2 365.478 0.517 20 0 FCADLP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001122834845 1222300743 /nfs/dbraw/zinc/30/07/43/1222300743.db2.gz CRBCYRXERFIMOB-VHDGCEQUSA-N 2 2 363.462 0.271 20 0 FCADLP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001122834845 1222300748 /nfs/dbraw/zinc/30/07/48/1222300748.db2.gz CRBCYRXERFIMOB-VHDGCEQUSA-N 2 2 363.462 0.271 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123506140 1222336070 /nfs/dbraw/zinc/33/60/70/1222336070.db2.gz VPEMAXGVQVMBHA-CGTJXYLNSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123506140 1222336073 /nfs/dbraw/zinc/33/60/73/1222336073.db2.gz VPEMAXGVQVMBHA-CGTJXYLNSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510808 1222336243 /nfs/dbraw/zinc/33/62/43/1222336243.db2.gz WMYAFVQYUAPWKO-CRAIPNDOSA-N 2 2 371.485 0.401 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510808 1222336248 /nfs/dbraw/zinc/33/62/48/1222336248.db2.gz WMYAFVQYUAPWKO-CRAIPNDOSA-N 2 2 371.485 0.401 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001123557590 1222339604 /nfs/dbraw/zinc/33/96/04/1222339604.db2.gz WALQPEJQFOVNOJ-UHFFFAOYSA-N 2 2 371.489 0.861 20 0 FCADLP CC1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000832317389 1222527239 /nfs/dbraw/zinc/52/72/39/1222527239.db2.gz GPFKVVPGDYAJCJ-WOJBJXKFSA-N 3 2 368.566 0.154 20 0 FCADLP CC1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000832317389 1222527243 /nfs/dbraw/zinc/52/72/43/1222527243.db2.gz GPFKVVPGDYAJCJ-WOJBJXKFSA-N 3 2 368.566 0.154 20 0 FCADLP C[C@]1(CO)CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139761785 1222558412 /nfs/dbraw/zinc/55/84/12/1222558412.db2.gz MQDPTHXDBJNYDD-WOJBJXKFSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@]1(CO)CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139761785 1222558414 /nfs/dbraw/zinc/55/84/14/1222558414.db2.gz MQDPTHXDBJNYDD-WOJBJXKFSA-N 2 2 364.486 0.963 20 0 FCADLP Cc1ncc(CO)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)c1O ZINC001140867533 1222618541 /nfs/dbraw/zinc/61/85/41/1222618541.db2.gz IQOQGLHAXJOCSE-HFTRVMKXSA-N 2 2 372.473 0.774 20 0 FCADLP Cc1ncc(CO)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)c1O ZINC001140867533 1222618543 /nfs/dbraw/zinc/61/85/43/1222618543.db2.gz IQOQGLHAXJOCSE-HFTRVMKXSA-N 2 2 372.473 0.774 20 0 FCADLP Cc1ncc(CO)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)c1O ZINC001140867533 1222618547 /nfs/dbraw/zinc/61/85/47/1222618547.db2.gz IQOQGLHAXJOCSE-HFTRVMKXSA-N 2 2 372.473 0.774 20 0 FCADLP Cc1ncc(CO)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)c1O ZINC001140867533 1222618550 /nfs/dbraw/zinc/61/85/50/1222618550.db2.gz IQOQGLHAXJOCSE-HFTRVMKXSA-N 2 2 372.473 0.774 20 0 FCADLP CNC(=O)CCC[N@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840032887 1222766086 /nfs/dbraw/zinc/76/60/86/1222766086.db2.gz FXZCEMZGYMTDAE-CALCHBBNSA-N 2 2 372.469 0.519 20 0 FCADLP CNC(=O)CCC[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840032887 1222766090 /nfs/dbraw/zinc/76/60/90/1222766090.db2.gz FXZCEMZGYMTDAE-CALCHBBNSA-N 2 2 372.469 0.519 20 0 FCADLP CNC(=O)CCC[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840032887 1222766095 /nfs/dbraw/zinc/76/60/95/1222766095.db2.gz FXZCEMZGYMTDAE-CALCHBBNSA-N 2 2 372.469 0.519 20 0 FCADLP CNC(=O)CCC[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840032887 1222766100 /nfs/dbraw/zinc/76/61/00/1222766100.db2.gz FXZCEMZGYMTDAE-CALCHBBNSA-N 2 2 372.469 0.519 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000841027176 1222805525 /nfs/dbraw/zinc/80/55/25/1222805525.db2.gz YOBBKLGZFPTDCN-PBHICJAKSA-N 2 2 357.458 0.900 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C=Cc3c[nH]cn3)CC2)C1=O ZINC001142270875 1222820223 /nfs/dbraw/zinc/82/02/23/1222820223.db2.gz QDYHAQPZSDVXOX-SNAWJCMRSA-N 2 2 374.489 0.120 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C=Cc3c[nH]cn3)CC2)C1=O ZINC001142270875 1222820224 /nfs/dbraw/zinc/82/02/24/1222820224.db2.gz QDYHAQPZSDVXOX-SNAWJCMRSA-N 2 2 374.489 0.120 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000842058440 1222834136 /nfs/dbraw/zinc/83/41/36/1222834136.db2.gz TVJUXEFJMQGLOP-CJNGLKHVSA-N 2 2 371.441 0.718 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001142628506 1222845703 /nfs/dbraw/zinc/84/57/03/1222845703.db2.gz JKANUXYCKLYJCQ-WNRNVDISSA-N 2 2 371.485 0.918 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000842476319 1222848251 /nfs/dbraw/zinc/84/82/51/1222848251.db2.gz LRSQMNUROKJITO-IPYPFGDCSA-N 2 2 365.478 0.639 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C[C@@H]1C ZINC000843243115 1222862218 /nfs/dbraw/zinc/86/22/18/1222862218.db2.gz WBMCJDRWPSWUSC-CALCHBBNSA-N 2 2 368.522 0.354 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](CC(C)C)CC2)C[C@@H]1C ZINC000843243115 1222862219 /nfs/dbraw/zinc/86/22/19/1222862219.db2.gz WBMCJDRWPSWUSC-CALCHBBNSA-N 2 2 368.522 0.354 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246765 1222862608 /nfs/dbraw/zinc/86/26/08/1222862608.db2.gz AIIFTQCXBXRTLR-MWDXBVQZSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246765 1222862609 /nfs/dbraw/zinc/86/26/09/1222862609.db2.gz AIIFTQCXBXRTLR-MWDXBVQZSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246765 1222862610 /nfs/dbraw/zinc/86/26/10/1222862610.db2.gz AIIFTQCXBXRTLR-MWDXBVQZSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000843246765 1222862611 /nfs/dbraw/zinc/86/26/11/1222862611.db2.gz AIIFTQCXBXRTLR-MWDXBVQZSA-N 2 2 368.522 0.495 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1c[nH]c3ncncc13)CCC2 ZINC001232655928 1226160048 /nfs/dbraw/zinc/16/00/48/1226160048.db2.gz RWPISNGAYDOAFT-UHFFFAOYSA-N 2 2 353.430 0.934 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1c[nH]c3ncncc13)CCC2 ZINC001232655928 1226160052 /nfs/dbraw/zinc/16/00/52/1226160052.db2.gz RWPISNGAYDOAFT-UHFFFAOYSA-N 2 2 353.430 0.934 20 0 FCADLP CC[N@H+](CC(=O)NCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998311 1222998669 /nfs/dbraw/zinc/99/86/69/1222998669.db2.gz OAAYNDGVLAMJJR-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CC[N@@H+](CC(=O)NCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998311 1222998676 /nfs/dbraw/zinc/99/86/76/1222998676.db2.gz OAAYNDGVLAMJJR-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](CC(=O)NCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998311 1222998679 /nfs/dbraw/zinc/99/86/79/1222998679.db2.gz OAAYNDGVLAMJJR-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CC[N@H+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321320 1223032856 /nfs/dbraw/zinc/03/28/56/1223032856.db2.gz MHLQZDVKWMHOFU-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP CC[N@@H+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321320 1223032861 /nfs/dbraw/zinc/03/28/61/1223032861.db2.gz MHLQZDVKWMHOFU-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321518 1223033155 /nfs/dbraw/zinc/03/31/55/1223033155.db2.gz RTAUWHIOFQBHMA-RBSFLKMASA-N 2 2 362.478 0.375 20 0 FCADLP CC[N@@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321518 1223033158 /nfs/dbraw/zinc/03/31/58/1223033158.db2.gz RTAUWHIOFQBHMA-RBSFLKMASA-N 2 2 362.478 0.375 20 0 FCADLP C(Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)c1noc2c1C[NH2+]CC2 ZINC001155498254 1223036575 /nfs/dbraw/zinc/03/65/75/1223036575.db2.gz UHJJOJDCUXHTQV-UHFFFAOYSA-N 2 2 370.461 0.740 20 0 FCADLP C(Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)c1noc2c1C[NH2+]CC2 ZINC001155498254 1223036582 /nfs/dbraw/zinc/03/65/82/1223036582.db2.gz UHJJOJDCUXHTQV-UHFFFAOYSA-N 2 2 370.461 0.740 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001157036521 1223066135 /nfs/dbraw/zinc/06/61/35/1223066135.db2.gz AMOFUOPDDJOBIQ-VQIMIIECSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001157036521 1223066140 /nfs/dbraw/zinc/06/61/40/1223066140.db2.gz AMOFUOPDDJOBIQ-VQIMIIECSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001157036521 1223066144 /nfs/dbraw/zinc/06/61/44/1223066144.db2.gz AMOFUOPDDJOBIQ-VQIMIIECSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001157036521 1223066146 /nfs/dbraw/zinc/06/61/46/1223066146.db2.gz AMOFUOPDDJOBIQ-VQIMIIECSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037731 1223066200 /nfs/dbraw/zinc/06/62/00/1223066200.db2.gz XCHPMWYHJSMJSY-DOTOQJQBSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001157037731 1223066203 /nfs/dbraw/zinc/06/62/03/1223066203.db2.gz XCHPMWYHJSMJSY-DOTOQJQBSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037731 1223066207 /nfs/dbraw/zinc/06/62/07/1223066207.db2.gz XCHPMWYHJSMJSY-DOTOQJQBSA-N 2 2 371.441 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157615427 1223079417 /nfs/dbraw/zinc/07/94/17/1223079417.db2.gz LHONUXALHPIXBT-FUHIMQAGSA-N 3 2 373.545 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615427 1223079421 /nfs/dbraw/zinc/07/94/21/1223079421.db2.gz LHONUXALHPIXBT-FUHIMQAGSA-N 3 2 373.545 0.858 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)CC1 ZINC001157916002 1223084277 /nfs/dbraw/zinc/08/42/77/1223084277.db2.gz JRIYTUNIQLAUCB-UHFFFAOYSA-N 2 2 359.434 0.506 20 0 FCADLP COc1cnc(N2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)nc1 ZINC001158062532 1223088224 /nfs/dbraw/zinc/08/82/24/1223088224.db2.gz LWDCCZKYTVUEMR-UHFFFAOYSA-N 2 2 369.473 0.959 20 0 FCADLP CCN(C)C(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158123794 1223089377 /nfs/dbraw/zinc/08/93/77/1223089377.db2.gz CKHCEICVMAKSSM-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(C)C(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158123794 1223089379 /nfs/dbraw/zinc/08/93/79/1223089379.db2.gz CKHCEICVMAKSSM-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(C)C(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158123794 1223089382 /nfs/dbraw/zinc/08/93/82/1223089382.db2.gz CKHCEICVMAKSSM-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(C)C(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158123794 1223089386 /nfs/dbraw/zinc/08/93/86/1223089386.db2.gz CKHCEICVMAKSSM-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)C1 ZINC001158259327 1223092567 /nfs/dbraw/zinc/09/25/67/1223092567.db2.gz QSSQRGIBNQQCQY-AWEZNQCLSA-N 2 2 373.505 0.283 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)C1 ZINC001158259327 1223092570 /nfs/dbraw/zinc/09/25/70/1223092570.db2.gz QSSQRGIBNQQCQY-AWEZNQCLSA-N 2 2 373.505 0.283 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)N1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C[NH2+]C2 ZINC001158327892 1223095264 /nfs/dbraw/zinc/09/52/64/1223095264.db2.gz QLARIXDUFLQWQS-YQQAZPJKSA-N 2 2 352.442 0.583 20 0 FCADLP CCn1nnc2c1[C@@H](COC)CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C2 ZINC001158799025 1223110036 /nfs/dbraw/zinc/11/00/36/1223110036.db2.gz LAGZCJBJTTXASV-HUUCEWRRSA-N 2 2 358.446 0.643 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)C1 ZINC001158924876 1223112614 /nfs/dbraw/zinc/11/26/14/1223112614.db2.gz BCHASOZNSSTEJG-GJYPPUQNSA-N 2 2 360.433 0.466 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@]24C[NH2+]C[C@H]2CC[NH2+]4)CC3)cn1 ZINC001158982164 1223114482 /nfs/dbraw/zinc/11/44/82/1223114482.db2.gz GNXIWJOSVATCLS-ZSZQSSIHSA-N 2 2 359.474 0.237 20 0 FCADLP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@]24CC[C@@H]([NH2+]2)[C@H]([NH3+])C4)CC3)cn1 ZINC001158982567 1223114695 /nfs/dbraw/zinc/11/46/95/1223114695.db2.gz JGYODXUAHYFAAY-ZIGSKRJUSA-N 2 2 359.474 0.507 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@]24C[NH2+]C[C@H]2CC[NH2+]4)CC3)cn1 ZINC001158982159 1223114858 /nfs/dbraw/zinc/11/48/58/1223114858.db2.gz GNXIWJOSVATCLS-GMBSWORKSA-N 2 2 359.474 0.237 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001159075190 1223116773 /nfs/dbraw/zinc/11/67/73/1223116773.db2.gz DSQFXLKDZXVKQI-KRXQYRFLSA-N 2 2 371.453 0.331 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160898 1223119761 /nfs/dbraw/zinc/11/97/61/1223119761.db2.gz VAKCDQBBULYSAO-KRWDZBQOSA-N 3 2 371.489 0.167 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159192477 1223120328 /nfs/dbraw/zinc/12/03/28/1223120328.db2.gz SVGRJKCSNZYEKZ-RDJZCZTQSA-N 3 2 359.474 0.077 20 0 FCADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159284130 1223123009 /nfs/dbraw/zinc/12/30/09/1223123009.db2.gz WDNHUNHNBFMMRI-JQFCIGGWSA-N 2 2 357.414 0.038 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316561 1223124022 /nfs/dbraw/zinc/12/40/22/1223124022.db2.gz JMDSEVYSYHJCSO-WNRNVDISSA-N 2 2 360.458 0.118 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316561 1223124026 /nfs/dbraw/zinc/12/40/26/1223124026.db2.gz JMDSEVYSYHJCSO-WNRNVDISSA-N 2 2 360.458 0.118 20 0 FCADLP COC(=O)[C@@H]([NH3+])CC(=O)N(c1cccc(C)c1)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001159337959 1223124766 /nfs/dbraw/zinc/12/47/66/1223124766.db2.gz CJGWGWVZEFEJKT-GJYPPUQNSA-N 2 2 361.442 0.739 20 0 FCADLP O=C([C@@H]1COC[NH2+]1)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159574601 1223130011 /nfs/dbraw/zinc/13/00/11/1223130011.db2.gz RQFWKZFKBYCYJH-HNNXBMFYSA-N 2 2 358.446 0.164 20 0 FCADLP C[C@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610835 1223131125 /nfs/dbraw/zinc/13/11/25/1223131125.db2.gz UYFSPCDXDIKZCQ-LRDDRELGSA-N 2 2 374.489 0.246 20 0 FCADLP O=C(C1CC2(C[NH2+]C2)C1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633586 1223132004 /nfs/dbraw/zinc/13/20/04/1223132004.db2.gz OEPVTZHZIOSGLB-UHFFFAOYSA-N 2 2 368.441 0.220 20 0 FCADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)CNCC[NH3+])C2 ZINC001159897996 1223139520 /nfs/dbraw/zinc/13/95/20/1223139520.db2.gz DWHDLOICVXHCGZ-UHFFFAOYSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)CNCC[NH3+])C2 ZINC001159897996 1223139522 /nfs/dbraw/zinc/13/95/22/1223139522.db2.gz DWHDLOICVXHCGZ-UHFFFAOYSA-N 2 2 357.458 0.740 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001159969988 1223141196 /nfs/dbraw/zinc/14/11/96/1223141196.db2.gz WYBLZVBHXKMNGM-PNYFIKQUSA-N 2 2 374.485 0.543 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160018524 1223143033 /nfs/dbraw/zinc/14/30/33/1223143033.db2.gz SPIDYHLIRUDWQF-FPCVCCKLSA-N 2 2 361.446 0.050 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001160053857 1223143435 /nfs/dbraw/zinc/14/34/35/1223143435.db2.gz WCKILGSPSSTESB-GBESFXJTSA-N 3 2 369.513 0.846 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001160053857 1223143437 /nfs/dbraw/zinc/14/34/37/1223143437.db2.gz WCKILGSPSSTESB-GBESFXJTSA-N 3 2 369.513 0.846 20 0 FCADLP [NH3+]C1(C(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)CC[NH2+]CC1 ZINC001160083874 1223144679 /nfs/dbraw/zinc/14/46/79/1223144679.db2.gz DALGGSCPVSNKLD-YJBOKZPZSA-N 2 2 357.458 0.017 20 0 FCADLP Cc1ccc(N2C[C@]3(CCN(C(=O)[C@@]45C[NH2+]C[C@H]4CC[NH2+]5)C3)CC2=O)s1 ZINC001160094531 1223145210 /nfs/dbraw/zinc/14/52/10/1223145210.db2.gz OIHANPCVNFDRIG-NIKGAXFTSA-N 2 2 374.510 0.963 20 0 FCADLP [NH3+]C1(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC[NH2+]CC1 ZINC001160137207 1223146578 /nfs/dbraw/zinc/14/65/78/1223146578.db2.gz BRGUHHKDMWBLAY-UXLLHSPISA-N 3 2 359.474 0.263 20 0 FCADLP O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160200738 1223149538 /nfs/dbraw/zinc/14/95/38/1223149538.db2.gz AEDARESNIZCRNB-WWMYMODYSA-N 2 2 374.529 0.873 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160415056 1223158377 /nfs/dbraw/zinc/15/83/77/1223158377.db2.gz KIALVVCQGYNFKB-QAPCUYQASA-N 2 2 369.429 0.115 20 0 FCADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160483218 1223162610 /nfs/dbraw/zinc/16/26/10/1223162610.db2.gz RCVDRSXDFVEFIS-SFHVURJKSA-N 2 2 361.490 0.402 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566640 1223164969 /nfs/dbraw/zinc/16/49/69/1223164969.db2.gz VBPWSBHSPOUPHN-INIZCTEOSA-N 3 2 354.458 0.016 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cccc(N2CC[NH+](C)CC2)n1 ZINC001160695834 1223168767 /nfs/dbraw/zinc/16/87/67/1223168767.db2.gz IHGPHLFNUHRYBB-HNNXBMFYSA-N 2 2 358.446 0.763 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160709270 1223169306 /nfs/dbraw/zinc/16/93/06/1223169306.db2.gz DWBQUPDMWLJVLB-YSIASYRMSA-N 3 2 354.498 0.986 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160709270 1223169309 /nfs/dbraw/zinc/16/93/09/1223169309.db2.gz DWBQUPDMWLJVLB-YSIASYRMSA-N 3 2 354.498 0.986 20 0 FCADLP O=C(N1CCN(c2ncc(C(F)(F)F)cn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160842406 1223176609 /nfs/dbraw/zinc/17/66/09/1223176609.db2.gz FFNUYMKFNPSZGC-ABAIWWIYSA-N 2 2 370.379 0.096 20 0 FCADLP CCN(C(=O)[C@@H]([NH3+])Cc1cc(=O)oc2cc(OC)ccc12)C1C[NH+](C)C1 ZINC001161137978 1223186312 /nfs/dbraw/zinc/18/63/12/1223186312.db2.gz JMOZTIKBMZOLEL-INIZCTEOSA-N 2 2 359.426 0.834 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)C1 ZINC001161138326 1223186826 /nfs/dbraw/zinc/18/68/26/1223186826.db2.gz RUVHTBPCLKKKRB-KXBFYZLASA-N 2 2 359.426 0.172 20 0 FCADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161145739 1223187166 /nfs/dbraw/zinc/18/71/66/1223187166.db2.gz ITMRYEIXMFVZNR-SJORKVTESA-N 3 2 362.474 0.329 20 0 FCADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161145739 1223187168 /nfs/dbraw/zinc/18/71/68/1223187168.db2.gz ITMRYEIXMFVZNR-SJORKVTESA-N 3 2 362.474 0.329 20 0 FCADLP CC1(C)N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[C@@]12c1ccccc1OC2=O ZINC001161164053 1223187744 /nfs/dbraw/zinc/18/77/44/1223187744.db2.gz WEZHMTQYCITQAR-DTNKQSLVSA-N 2 2 355.438 0.804 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001161236289 1223191033 /nfs/dbraw/zinc/19/10/33/1223191033.db2.gz CNOGMPFESYHCDW-WBVHZDCISA-N 2 2 356.426 0.420 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001161236289 1223191034 /nfs/dbraw/zinc/19/10/34/1223191034.db2.gz CNOGMPFESYHCDW-WBVHZDCISA-N 2 2 356.426 0.420 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001161269599 1223193663 /nfs/dbraw/zinc/19/36/63/1223193663.db2.gz BEIRMZAFKJYETL-HOTGVXAUSA-N 2 2 369.473 0.661 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)CCN3)CC2)cc[nH+]1 ZINC001161306723 1223195255 /nfs/dbraw/zinc/19/52/55/1223195255.db2.gz XIVMZYJJGHPDPC-INIZCTEOSA-N 2 2 361.490 0.811 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)CCN3)CC2)cc[nH+]1 ZINC001161306723 1223195258 /nfs/dbraw/zinc/19/52/58/1223195258.db2.gz XIVMZYJJGHPDPC-INIZCTEOSA-N 2 2 361.490 0.811 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001161317877 1223195768 /nfs/dbraw/zinc/19/57/68/1223195768.db2.gz QVNMLJSWBXCLBR-RUZGCFLTSA-N 2 2 372.444 0.722 20 0 FCADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378736 1223197253 /nfs/dbraw/zinc/19/72/53/1223197253.db2.gz MIBXFUOXUOZMPF-MSOLQXFVSA-N 3 2 374.485 0.471 20 0 FCADLP O=C(CCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1)c1ccc(F)cc1 ZINC001161516313 1223203183 /nfs/dbraw/zinc/20/31/83/1223203183.db2.gz BPFIOXXRPVHGHB-FUHWJXTLSA-N 2 2 363.433 0.513 20 0 FCADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161517113 1223203356 /nfs/dbraw/zinc/20/33/56/1223203356.db2.gz MQFYTOCRLWSWBQ-IRXDYDNUSA-N 2 2 362.449 0.480 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC[NH2+]CC(N)=O)CCc1ccccc1 ZINC001162935146 1223222217 /nfs/dbraw/zinc/22/22/17/1223222217.db2.gz QSPDRTKXQGSTJY-IAGOWNOFSA-N 2 2 369.469 0.670 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)CC1 ZINC001163309165 1223229029 /nfs/dbraw/zinc/22/90/29/1223229029.db2.gz GLRCZXGXMAWEEW-KSSFIOAISA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)CC1 ZINC001163309165 1223229033 /nfs/dbraw/zinc/22/90/33/1223229033.db2.gz GLRCZXGXMAWEEW-KSSFIOAISA-N 2 2 360.462 0.501 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH+]2)CC1 ZINC001163653815 1223233311 /nfs/dbraw/zinc/23/33/11/1223233311.db2.gz LHHFMNPFTJVWLZ-INIZCTEOSA-N 2 2 359.474 0.661 20 0 FCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1noc(C(=O)N(C)C)n1 ZINC001164252390 1223236761 /nfs/dbraw/zinc/23/67/61/1223236761.db2.gz IBUISKZRIUPCRE-UHFFFAOYSA-N 2 2 374.449 0.657 20 0 FCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001166315636 1223272587 /nfs/dbraw/zinc/27/25/87/1223272587.db2.gz NZQUELAFWYBGBA-ZACQAIPSSA-N 2 2 369.506 0.123 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001166960518 1223290206 /nfs/dbraw/zinc/29/02/06/1223290206.db2.gz IXUGKNZNPYKHKI-HZPDHXFCSA-N 2 2 370.457 0.331 20 0 FCADLP Cn1cc(C[N@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)cn1 ZINC001205002543 1223305493 /nfs/dbraw/zinc/30/54/93/1223305493.db2.gz SXCQURQGZANPBX-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1cc(C[N@@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)cn1 ZINC001205002543 1223305495 /nfs/dbraw/zinc/30/54/95/1223305495.db2.gz SXCQURQGZANPBX-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206476330 1223360013 /nfs/dbraw/zinc/36/00/13/1223360013.db2.gz UNWRKXNOQYEVPZ-DOTOQJQBSA-N 3 2 365.522 0.455 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206476330 1223360015 /nfs/dbraw/zinc/36/00/15/1223360015.db2.gz UNWRKXNOQYEVPZ-DOTOQJQBSA-N 3 2 365.522 0.455 20 0 FCADLP C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739518 1223368469 /nfs/dbraw/zinc/36/84/69/1223368469.db2.gz NZBTUKYLSKZWPR-BHIYHBOVSA-N 2 2 361.486 0.970 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001206739518 1223368472 /nfs/dbraw/zinc/36/84/72/1223368472.db2.gz NZBTUKYLSKZWPR-BHIYHBOVSA-N 2 2 361.486 0.970 20 0 FCADLP C[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001206739518 1223368474 /nfs/dbraw/zinc/36/84/74/1223368474.db2.gz NZBTUKYLSKZWPR-BHIYHBOVSA-N 2 2 361.486 0.970 20 0 FCADLP C[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001206739518 1223368476 /nfs/dbraw/zinc/36/84/76/1223368476.db2.gz NZBTUKYLSKZWPR-BHIYHBOVSA-N 2 2 361.486 0.970 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207008519 1223404934 /nfs/dbraw/zinc/40/49/34/1223404934.db2.gz ZWNSXHOIICGKBF-JHJVBQTASA-N 2 2 364.450 0.028 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207008519 1223404937 /nfs/dbraw/zinc/40/49/37/1223404937.db2.gz ZWNSXHOIICGKBF-JHJVBQTASA-N 2 2 364.450 0.028 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ncn4ccccc34)C2)OCC1=O ZINC001276559571 1223519297 /nfs/dbraw/zinc/51/92/97/1223519297.db2.gz DNIRYCXGCOHTMY-IBGZPJMESA-N 2 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ncn4ccccc34)C2)OCC1=O ZINC001276559571 1223519301 /nfs/dbraw/zinc/51/93/01/1223519301.db2.gz DNIRYCXGCOHTMY-IBGZPJMESA-N 2 2 357.458 0.699 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252480 1223525111 /nfs/dbraw/zinc/52/51/11/1223525111.db2.gz NPFSPVBWXQPYPQ-GVDBMIGSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252480 1223525115 /nfs/dbraw/zinc/52/51/15/1223525115.db2.gz NPFSPVBWXQPYPQ-GVDBMIGSSA-N 2 2 361.490 0.968 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425641 1223542884 /nfs/dbraw/zinc/54/28/84/1223542884.db2.gz RBGFWEKUGBUVOU-ZIAGYGMSSA-N 2 2 367.494 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425641 1223542890 /nfs/dbraw/zinc/54/28/90/1223542890.db2.gz RBGFWEKUGBUVOU-ZIAGYGMSSA-N 2 2 367.494 0.001 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425780 1223543996 /nfs/dbraw/zinc/54/39/96/1223543996.db2.gz XVKSDQNTWBECQA-GDBMZVCRSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425780 1223544001 /nfs/dbraw/zinc/54/40/01/1223544001.db2.gz XVKSDQNTWBECQA-GDBMZVCRSA-N 2 2 362.474 0.674 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC001208613047 1223563590 /nfs/dbraw/zinc/56/35/90/1223563590.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208613047 1223563596 /nfs/dbraw/zinc/56/35/96/1223563596.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 3 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C[C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC001208613047 1223563599 /nfs/dbraw/zinc/56/35/99/1223563599.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C[C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC001208613047 1223563600 /nfs/dbraw/zinc/56/36/00/1223563600.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001208613047 1223563602 /nfs/dbraw/zinc/56/36/02/1223563602.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208613047 1223563603 /nfs/dbraw/zinc/56/36/03/1223563603.db2.gz KWSDYYIQZXPMAY-GOSISDBHSA-N 2 2 366.550 0.831 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611322 1223563998 /nfs/dbraw/zinc/56/39/98/1223563998.db2.gz BRCVTECISGZXFC-RANZSIQMSA-N 2 2 359.474 0.780 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611322 1223563999 /nfs/dbraw/zinc/56/39/99/1223563999.db2.gz BRCVTECISGZXFC-RANZSIQMSA-N 2 2 359.474 0.780 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611322 1223564000 /nfs/dbraw/zinc/56/40/00/1223564000.db2.gz BRCVTECISGZXFC-RANZSIQMSA-N 2 2 359.474 0.780 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)C1 ZINC001208611322 1223564002 /nfs/dbraw/zinc/56/40/02/1223564002.db2.gz BRCVTECISGZXFC-RANZSIQMSA-N 2 2 359.474 0.780 20 0 FCADLP COCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208670544 1223568490 /nfs/dbraw/zinc/56/84/90/1223568490.db2.gz QIQFRONKJBYIMW-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739383 1223575122 /nfs/dbraw/zinc/57/51/22/1223575122.db2.gz QWSLMRZACYQAMU-JFIYKMOQSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739383 1223575125 /nfs/dbraw/zinc/57/51/25/1223575125.db2.gz QWSLMRZACYQAMU-JFIYKMOQSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985088 1223589659 /nfs/dbraw/zinc/58/96/59/1223589659.db2.gz NKAZJKVVJZAWIF-OWCLPIDISA-N 2 2 363.462 0.130 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985088 1223589661 /nfs/dbraw/zinc/58/96/61/1223589661.db2.gz NKAZJKVVJZAWIF-OWCLPIDISA-N 2 2 363.462 0.130 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCCN(CC[NH+]1CCCC1)C2 ZINC001276612207 1223596188 /nfs/dbraw/zinc/59/61/88/1223596188.db2.gz VXVHVGIKYPHQBN-LJQANCHMSA-N 2 2 361.490 0.530 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2O[C@H](C(=O)NCC3CCOCC3)C[C@H]21 ZINC001209725498 1223643808 /nfs/dbraw/zinc/64/38/08/1223643808.db2.gz KLSAJRVXVHTZTB-KURKYZTESA-N 2 2 360.458 0.769 20 0 FCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001209731727 1223645226 /nfs/dbraw/zinc/64/52/26/1223645226.db2.gz ZNTCZBJRLHLFDJ-UHFFFAOYSA-N 2 2 354.414 0.682 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210528790 1223695935 /nfs/dbraw/zinc/69/59/35/1223695935.db2.gz HLDFDTYBYBEHBV-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210528790 1223695938 /nfs/dbraw/zinc/69/59/38/1223695938.db2.gz HLDFDTYBYBEHBV-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210528790 1223695944 /nfs/dbraw/zinc/69/59/44/1223695944.db2.gz HLDFDTYBYBEHBV-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001210528790 1223695948 /nfs/dbraw/zinc/69/59/48/1223695948.db2.gz HLDFDTYBYBEHBV-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031944 1223720033 /nfs/dbraw/zinc/72/00/33/1223720033.db2.gz RMRNCZBOSCIBKM-NVXWUHKLSA-N 2 2 359.474 0.230 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031944 1223720035 /nfs/dbraw/zinc/72/00/35/1223720035.db2.gz RMRNCZBOSCIBKM-NVXWUHKLSA-N 2 2 359.474 0.230 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211039032 1223720778 /nfs/dbraw/zinc/72/07/78/1223720778.db2.gz NIGMRIWUMJBMOM-NVXWUHKLSA-N 2 2 362.474 0.770 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211039032 1223720779 /nfs/dbraw/zinc/72/07/79/1223720779.db2.gz NIGMRIWUMJBMOM-NVXWUHKLSA-N 2 2 362.474 0.770 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001211038072 1223720928 /nfs/dbraw/zinc/72/09/28/1223720928.db2.gz COKVWLICIYWPHQ-CZUORRHYSA-N 2 2 359.430 0.537 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001211038072 1223720932 /nfs/dbraw/zinc/72/09/32/1223720932.db2.gz COKVWLICIYWPHQ-CZUORRHYSA-N 2 2 359.430 0.537 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)ncn1 ZINC001211046101 1223721446 /nfs/dbraw/zinc/72/14/46/1223721446.db2.gz IQCBCJNYVUZFOV-IIDMSEBBSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)ncn1 ZINC001211046101 1223721450 /nfs/dbraw/zinc/72/14/50/1223721450.db2.gz IQCBCJNYVUZFOV-IIDMSEBBSA-N 2 2 361.490 0.690 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001211046465 1223722106 /nfs/dbraw/zinc/72/21/06/1223722106.db2.gz PYIMAOHYZNQGOD-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001211046465 1223722107 /nfs/dbraw/zinc/72/21/07/1223722107.db2.gz PYIMAOHYZNQGOD-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054415 1223722407 /nfs/dbraw/zinc/72/24/07/1223722407.db2.gz NPRPIAPNEGDEON-BRWVUGGUSA-N 2 2 368.522 0.260 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054415 1223722409 /nfs/dbraw/zinc/72/24/09/1223722409.db2.gz NPRPIAPNEGDEON-BRWVUGGUSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001211054859 1223722690 /nfs/dbraw/zinc/72/26/90/1223722690.db2.gz WQUBJLBFVHBWOL-OWCLPIDISA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001211054859 1223722693 /nfs/dbraw/zinc/72/26/93/1223722693.db2.gz WQUBJLBFVHBWOL-OWCLPIDISA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211449944 1223743715 /nfs/dbraw/zinc/74/37/15/1223743715.db2.gz BSJNUEBGTZDXFO-OWCLPIDISA-N 2 2 357.462 0.879 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211449944 1223743718 /nfs/dbraw/zinc/74/37/18/1223743718.db2.gz BSJNUEBGTZDXFO-OWCLPIDISA-N 2 2 357.462 0.879 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001213175357 1223764542 /nfs/dbraw/zinc/76/45/42/1223764542.db2.gz NHYBOTFUINNKHT-QGPMSJSTSA-N 2 2 364.490 0.738 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001213175357 1223764544 /nfs/dbraw/zinc/76/45/44/1223764544.db2.gz NHYBOTFUINNKHT-QGPMSJSTSA-N 2 2 364.490 0.738 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213202764 1223766916 /nfs/dbraw/zinc/76/69/16/1223766916.db2.gz CHTSZMPTIMFWEP-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213202764 1223766919 /nfs/dbraw/zinc/76/69/19/1223766919.db2.gz CHTSZMPTIMFWEP-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203724 1223767205 /nfs/dbraw/zinc/76/72/05/1223767205.db2.gz YEDQCTOIKXMGET-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203724 1223767207 /nfs/dbraw/zinc/76/72/07/1223767207.db2.gz YEDQCTOIKXMGET-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204325 1223767260 /nfs/dbraw/zinc/76/72/60/1223767260.db2.gz DDAPKUGHTYDYCI-BZUAXINKSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204325 1223767262 /nfs/dbraw/zinc/76/72/62/1223767262.db2.gz DDAPKUGHTYDYCI-BZUAXINKSA-N 2 2 364.490 0.983 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219447 1223770337 /nfs/dbraw/zinc/77/03/37/1223770337.db2.gz SNIJYIBOKSSGHV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219447 1223770344 /nfs/dbraw/zinc/77/03/44/1223770344.db2.gz SNIJYIBOKSSGHV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219447 1223770347 /nfs/dbraw/zinc/77/03/47/1223770347.db2.gz SNIJYIBOKSSGHV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219447 1223770352 /nfs/dbraw/zinc/77/03/52/1223770352.db2.gz SNIJYIBOKSSGHV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346500 1223788659 /nfs/dbraw/zinc/78/86/59/1223788659.db2.gz PWKYSVZBIGHRLY-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346500 1223788662 /nfs/dbraw/zinc/78/86/62/1223788662.db2.gz PWKYSVZBIGHRLY-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369347 1223790956 /nfs/dbraw/zinc/79/09/56/1223790956.db2.gz OWJBKLYPCPQJDV-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369347 1223790957 /nfs/dbraw/zinc/79/09/57/1223790957.db2.gz OWJBKLYPCPQJDV-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001213439990 1223798783 /nfs/dbraw/zinc/79/87/83/1223798783.db2.gz DPGPEQCBHFWJFT-CGTJXYLNSA-N 2 2 364.490 0.994 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001213439990 1223798787 /nfs/dbraw/zinc/79/87/87/1223798787.db2.gz DPGPEQCBHFWJFT-CGTJXYLNSA-N 2 2 364.490 0.994 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1OC)[NH+](C)C ZINC001213455692 1223801371 /nfs/dbraw/zinc/80/13/71/1223801371.db2.gz JMUVSPCYYWBOHM-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1OC)[NH+](C)C ZINC001213455692 1223801374 /nfs/dbraw/zinc/80/13/74/1223801374.db2.gz JMUVSPCYYWBOHM-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213576023 1223816120 /nfs/dbraw/zinc/81/61/20/1223816120.db2.gz FCPXZCBZQJQPBH-IAGOWNOFSA-N 2 2 360.462 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213576023 1223816122 /nfs/dbraw/zinc/81/61/22/1223816122.db2.gz FCPXZCBZQJQPBH-IAGOWNOFSA-N 2 2 360.462 0.721 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213596594 1223820718 /nfs/dbraw/zinc/82/07/18/1223820718.db2.gz HJTCVHCKQCWBNX-IAGOWNOFSA-N 2 2 362.474 0.443 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213596594 1223820719 /nfs/dbraw/zinc/82/07/19/1223820719.db2.gz HJTCVHCKQCWBNX-IAGOWNOFSA-N 2 2 362.474 0.443 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001213614348 1223823295 /nfs/dbraw/zinc/82/32/95/1223823295.db2.gz SZAVWADQWXMYSF-IAGOWNOFSA-N 2 2 366.506 0.060 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001213614348 1223823297 /nfs/dbraw/zinc/82/32/97/1223823297.db2.gz SZAVWADQWXMYSF-IAGOWNOFSA-N 2 2 366.506 0.060 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213676022 1223830977 /nfs/dbraw/zinc/83/09/77/1223830977.db2.gz LYSKRYJIJZNICX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213676022 1223830979 /nfs/dbraw/zinc/83/09/79/1223830979.db2.gz LYSKRYJIJZNICX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213676022 1223830981 /nfs/dbraw/zinc/83/09/81/1223830981.db2.gz LYSKRYJIJZNICX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213676022 1223830982 /nfs/dbraw/zinc/83/09/82/1223830982.db2.gz LYSKRYJIJZNICX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704551 1223835626 /nfs/dbraw/zinc/83/56/26/1223835626.db2.gz IXKMSVWHOGPLSH-IAGOWNOFSA-N 2 2 366.506 0.060 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001213704551 1223835629 /nfs/dbraw/zinc/83/56/29/1223835629.db2.gz IXKMSVWHOGPLSH-IAGOWNOFSA-N 2 2 366.506 0.060 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728203 1223839427 /nfs/dbraw/zinc/83/94/27/1223839427.db2.gz FEJRNWUKIZWWFJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728203 1223839428 /nfs/dbraw/zinc/83/94/28/1223839428.db2.gz FEJRNWUKIZWWFJ-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728544 1223840323 /nfs/dbraw/zinc/84/03/23/1223840323.db2.gz MQPYPPGBMUFMPN-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728544 1223840324 /nfs/dbraw/zinc/84/03/24/1223840324.db2.gz MQPYPPGBMUFMPN-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871808 1223865363 /nfs/dbraw/zinc/86/53/63/1223865363.db2.gz IACMIXQCCBNLHT-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871808 1223865365 /nfs/dbraw/zinc/86/53/65/1223865365.db2.gz IACMIXQCCBNLHT-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276706143 1223866500 /nfs/dbraw/zinc/86/65/00/1223866500.db2.gz YPWUYWMIRAZVHO-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cncc1CN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276706143 1223866503 /nfs/dbraw/zinc/86/65/03/1223866503.db2.gz YPWUYWMIRAZVHO-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916834 1223871783 /nfs/dbraw/zinc/87/17/83/1223871783.db2.gz MMRIREPGRYLWFJ-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916834 1223871786 /nfs/dbraw/zinc/87/17/86/1223871786.db2.gz MMRIREPGRYLWFJ-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922283 1223872867 /nfs/dbraw/zinc/87/28/67/1223872867.db2.gz YJTFFUKOYHIZTM-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922283 1223872870 /nfs/dbraw/zinc/87/28/70/1223872870.db2.gz YJTFFUKOYHIZTM-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001214757272 1223939161 /nfs/dbraw/zinc/93/91/61/1223939161.db2.gz GSRNBERQRMLVMD-MGPQQGTHSA-N 2 2 371.457 0.832 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214811998 1223944403 /nfs/dbraw/zinc/94/44/03/1223944403.db2.gz NHUXGTBBGCQUJQ-UKRRQHHQSA-N 2 2 364.494 0.877 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214811998 1223944405 /nfs/dbraw/zinc/94/44/05/1223944405.db2.gz NHUXGTBBGCQUJQ-UKRRQHHQSA-N 2 2 364.494 0.877 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001214967204 1223960263 /nfs/dbraw/zinc/96/02/63/1223960263.db2.gz SJDORTVHVVPHPC-DDUZABMNSA-N 2 2 368.441 0.871 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215006698 1223963568 /nfs/dbraw/zinc/96/35/68/1223963568.db2.gz ZQJRBHLCGIAWRB-FVQBIDKESA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001215134672 1223976925 /nfs/dbraw/zinc/97/69/25/1223976925.db2.gz YTILKPHBAQQQHX-OWCLPIDISA-N 2 2 368.441 0.642 20 0 FCADLP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001215224822 1223983580 /nfs/dbraw/zinc/98/35/80/1223983580.db2.gz YMYVAOOPMFBGFZ-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215384972 1223995092 /nfs/dbraw/zinc/99/50/92/1223995092.db2.gz JACXDJBDGPSLNV-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215384972 1223995095 /nfs/dbraw/zinc/99/50/95/1223995095.db2.gz JACXDJBDGPSLNV-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001215385664 1223995119 /nfs/dbraw/zinc/99/51/19/1223995119.db2.gz TZTKZIAABNVERM-KBAYOESNSA-N 2 2 369.506 0.075 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCOCCO ZINC001215385664 1223995121 /nfs/dbraw/zinc/99/51/21/1223995121.db2.gz TZTKZIAABNVERM-KBAYOESNSA-N 2 2 369.506 0.075 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001215686039 1224012239 /nfs/dbraw/zinc/01/22/39/1224012239.db2.gz YKAODMGUNYFPCJ-UKPHBRMFSA-N 2 2 362.430 0.559 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216361520 1224046596 /nfs/dbraw/zinc/04/65/96/1224046596.db2.gz JEFKJQMXERZWPZ-CZUORRHYSA-N 2 2 356.430 0.406 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)no1 ZINC001216383334 1224047951 /nfs/dbraw/zinc/04/79/51/1224047951.db2.gz KNCURMISUIOEMZ-BXUZGUMPSA-N 2 2 360.418 0.334 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001216630461 1224059409 /nfs/dbraw/zinc/05/94/09/1224059409.db2.gz GTQUVPIDIWAJOB-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP CCc1cnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978353852 1248730977 /nfs/dbraw/zinc/73/09/77/1248730977.db2.gz MAWCIXXTQBNCPN-FYNNLBNCSA-N 2 2 362.474 0.750 20 0 FCADLP CCc1cnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978353852 1248730986 /nfs/dbraw/zinc/73/09/86/1248730986.db2.gz MAWCIXXTQBNCPN-FYNNLBNCSA-N 2 2 362.474 0.750 20 0 FCADLP CCc1cnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978353852 1248730995 /nfs/dbraw/zinc/73/09/95/1248730995.db2.gz MAWCIXXTQBNCPN-FYNNLBNCSA-N 2 2 362.474 0.750 20 0 FCADLP CCc1cnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978353852 1248731006 /nfs/dbraw/zinc/73/10/06/1248731006.db2.gz MAWCIXXTQBNCPN-FYNNLBNCSA-N 2 2 362.474 0.750 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@H+](CCn1cncn1)C2 ZINC000982299443 1248783299 /nfs/dbraw/zinc/78/32/99/1248783299.db2.gz HBIYQXWUDKVSPQ-RGCFKVTRSA-N 2 2 369.473 0.975 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000982299443 1248783309 /nfs/dbraw/zinc/78/33/09/1248783309.db2.gz HBIYQXWUDKVSPQ-RGCFKVTRSA-N 2 2 369.473 0.975 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@H+](CCn1cncn1)C2 ZINC000982299443 1248783318 /nfs/dbraw/zinc/78/33/18/1248783318.db2.gz HBIYQXWUDKVSPQ-RGCFKVTRSA-N 2 2 369.473 0.975 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000982299443 1248783329 /nfs/dbraw/zinc/78/33/29/1248783329.db2.gz HBIYQXWUDKVSPQ-RGCFKVTRSA-N 2 2 369.473 0.975 20 0 FCADLP CCn1ncnc1C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985493691 1248944022 /nfs/dbraw/zinc/94/40/22/1248944022.db2.gz UXEXRJDAGADHMI-GDBMZVCRSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1ncnc1C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985493691 1248944030 /nfs/dbraw/zinc/94/40/30/1248944030.db2.gz 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Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC000998627331 1251930988 /nfs/dbraw/zinc/93/09/88/1251930988.db2.gz ZHAMQHVXBGEJHC-LMSBXDPUSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC000998627331 1251930995 /nfs/dbraw/zinc/93/09/95/1251930995.db2.gz ZHAMQHVXBGEJHC-LMSBXDPUSA-N 2 2 373.501 0.943 20 0 FCADLP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000999425918 1252114465 /nfs/dbraw/zinc/11/44/65/1252114465.db2.gz MIESYJPIIHBNAU-NEXFUWMNSA-N 2 2 357.462 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999991260 1252263309 /nfs/dbraw/zinc/26/33/09/1252263309.db2.gz RKEWQWGCOYXVSZ-HUUCEWRRSA-N 2 2 359.474 0.725 20 0 FCADLP O=C(NCc1cn([C@H]2CC[N@@H+](CCCO)C2)nn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000999995497 1252266121 /nfs/dbraw/zinc/26/61/21/1252266121.db2.gz GQRSGNHTZLFKLB-RRFJBIMHSA-N 2 2 359.434 0.050 20 0 FCADLP O=C(NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000999995497 1252266131 /nfs/dbraw/zinc/26/61/31/1252266131.db2.gz GQRSGNHTZLFKLB-RRFJBIMHSA-N 2 2 359.434 0.050 20 0 FCADLP O=C(NCc1cn([C@H]2CC[N@@H+](CCCO)C2)nn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000999995497 1252266140 /nfs/dbraw/zinc/26/61/40/1252266140.db2.gz GQRSGNHTZLFKLB-RRFJBIMHSA-N 2 2 359.434 0.050 20 0 FCADLP O=C(NCc1cn([C@H]2CC[N@H+](CCCO)C2)nn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000999995497 1252266149 /nfs/dbraw/zinc/26/61/49/1252266149.db2.gz GQRSGNHTZLFKLB-RRFJBIMHSA-N 2 2 359.434 0.050 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001002263653 1252496275 /nfs/dbraw/zinc/49/62/75/1252496275.db2.gz RJXIFWVAWIYDQP-YLFCFFPRSA-N 2 2 373.501 0.829 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001002263653 1252496284 /nfs/dbraw/zinc/49/62/84/1252496284.db2.gz RJXIFWVAWIYDQP-YLFCFFPRSA-N 2 2 373.501 0.829 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC[N@@H+]1C ZINC001002790669 1252673754 /nfs/dbraw/zinc/67/37/54/1252673754.db2.gz LHYZOTBYYQFUGQ-FRFSOERESA-N 2 2 359.474 0.360 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC[N@H+]1C ZINC001002790669 1252673763 /nfs/dbraw/zinc/67/37/63/1252673763.db2.gz LHYZOTBYYQFUGQ-FRFSOERESA-N 2 2 359.474 0.360 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950131 1252748908 /nfs/dbraw/zinc/74/89/08/1252748908.db2.gz GVQAUGLLDRFLBC-QXSJWSMHSA-N 2 2 357.458 0.542 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)CC[N@@H+]1C ZINC001003209532 1252810633 /nfs/dbraw/zinc/81/06/33/1252810633.db2.gz GYGXNLALWGFBQH-UKRRQHHQSA-N 2 2 355.442 0.863 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)CC[N@H+]1C ZINC001003209532 1252810645 /nfs/dbraw/zinc/81/06/45/1252810645.db2.gz GYGXNLALWGFBQH-UKRRQHHQSA-N 2 2 355.442 0.863 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329083005 1265689196 /nfs/dbraw/zinc/68/91/96/1265689196.db2.gz TYJKDACVZZQTIJ-VYDXJSESSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001329083005 1265689207 /nfs/dbraw/zinc/68/92/07/1265689207.db2.gz TYJKDACVZZQTIJ-VYDXJSESSA-N 2 2 366.506 0.297 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001519202774 1265708054 /nfs/dbraw/zinc/70/80/54/1265708054.db2.gz ZQYYYUGOBUFAOS-OAHLLOKOSA-N 2 2 352.483 0.076 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1 ZINC001004371788 1253306761 /nfs/dbraw/zinc/30/67/61/1253306761.db2.gz PZUVFKBUUMNDKP-SRABZTEZSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1 ZINC001004371788 1253306778 /nfs/dbraw/zinc/30/67/78/1253306778.db2.gz PZUVFKBUUMNDKP-SRABZTEZSA-N 2 2 359.474 0.553 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004394064 1253311749 /nfs/dbraw/zinc/31/17/49/1253311749.db2.gz GDSIMDFYXSNHAR-OAGGEKHMSA-N 2 2 357.458 0.686 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004394064 1253311756 /nfs/dbraw/zinc/31/17/56/1253311756.db2.gz GDSIMDFYXSNHAR-OAGGEKHMSA-N 2 2 357.458 0.686 20 0 FCADLP CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001005581407 1253584806 /nfs/dbraw/zinc/58/48/06/1253584806.db2.gz MUDUCHBDVKOHLP-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001005581407 1253584811 /nfs/dbraw/zinc/58/48/11/1253584811.db2.gz MUDUCHBDVKOHLP-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001519641769 1265742090 /nfs/dbraw/zinc/74/20/90/1265742090.db2.gz DCTBCWHAOPNAGK-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001519641769 1265742098 /nfs/dbraw/zinc/74/20/98/1265742098.db2.gz DCTBCWHAOPNAGK-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001006018897 1253687032 /nfs/dbraw/zinc/68/70/32/1253687032.db2.gz KHABETRXGPAPTK-NUEKZKHPSA-N 2 2 361.490 0.923 20 0 FCADLP C[N@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448552 1253852922 /nfs/dbraw/zinc/85/29/22/1253852922.db2.gz JUAJOYHKBLFHEM-RBSFLKMASA-N 2 2 360.462 0.461 20 0 FCADLP C[N@@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448552 1253852931 /nfs/dbraw/zinc/85/29/31/1253852931.db2.gz JUAJOYHKBLFHEM-RBSFLKMASA-N 2 2 360.462 0.461 20 0 FCADLP CCn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767374 1253868999 /nfs/dbraw/zinc/86/89/99/1253868999.db2.gz QCZDUBNVGAEJBC-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767374 1253869003 /nfs/dbraw/zinc/86/90/03/1253869003.db2.gz QCZDUBNVGAEJBC-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767374 1253869011 /nfs/dbraw/zinc/86/90/11/1253869011.db2.gz QCZDUBNVGAEJBC-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767374 1253869021 /nfs/dbraw/zinc/86/90/21/1253869021.db2.gz QCZDUBNVGAEJBC-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767382 1253871542 /nfs/dbraw/zinc/87/15/42/1253871542.db2.gz QNOYZILOFVIZFM-SOLBZPMBSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767382 1253871551 /nfs/dbraw/zinc/87/15/51/1253871551.db2.gz QNOYZILOFVIZFM-SOLBZPMBSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767382 1253871563 /nfs/dbraw/zinc/87/15/63/1253871563.db2.gz QNOYZILOFVIZFM-SOLBZPMBSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767382 1253871569 /nfs/dbraw/zinc/87/15/69/1253871569.db2.gz QNOYZILOFVIZFM-SOLBZPMBSA-N 2 2 363.506 0.902 20 0 FCADLP CCc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767664 1253875066 /nfs/dbraw/zinc/87/50/66/1253875066.db2.gz XLCPGEDIWLBQOU-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP CCc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767664 1253875074 /nfs/dbraw/zinc/87/50/74/1253875074.db2.gz XLCPGEDIWLBQOU-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP CCc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767664 1253875079 /nfs/dbraw/zinc/87/50/79/1253875079.db2.gz XLCPGEDIWLBQOU-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP CCc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767664 1253875088 /nfs/dbraw/zinc/87/50/88/1253875088.db2.gz XLCPGEDIWLBQOU-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031764018 1253890090 /nfs/dbraw/zinc/89/00/90/1253890090.db2.gz RCEPHFPVDIHRJZ-JKIFEVAISA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031764018 1253890093 /nfs/dbraw/zinc/89/00/93/1253890093.db2.gz RCEPHFPVDIHRJZ-JKIFEVAISA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cc(CO)ccc3F)C2)O1 ZINC001031765103 1253892015 /nfs/dbraw/zinc/89/20/15/1253892015.db2.gz AMULWWQNXKBMPA-FZKQIMNGSA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cc(CO)ccc3F)C2)O1 ZINC001031765103 1253892016 /nfs/dbraw/zinc/89/20/16/1253892016.db2.gz AMULWWQNXKBMPA-FZKQIMNGSA-N 2 2 365.449 0.585 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033183631 1253947992 /nfs/dbraw/zinc/94/79/92/1253947992.db2.gz CSHSPPBLEKZUGM-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033183631 1253948004 /nfs/dbraw/zinc/94/80/04/1253948004.db2.gz CSHSPPBLEKZUGM-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033183631 1253948011 /nfs/dbraw/zinc/94/80/11/1253948011.db2.gz CSHSPPBLEKZUGM-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033183631 1253948018 /nfs/dbraw/zinc/94/80/18/1253948018.db2.gz CSHSPPBLEKZUGM-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270784 1253986704 /nfs/dbraw/zinc/98/67/04/1253986704.db2.gz DBCMFUZCQKFEKY-FHLIZLRMSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270784 1253986719 /nfs/dbraw/zinc/98/67/19/1253986719.db2.gz DBCMFUZCQKFEKY-FHLIZLRMSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270784 1253986731 /nfs/dbraw/zinc/98/67/31/1253986731.db2.gz DBCMFUZCQKFEKY-FHLIZLRMSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270784 1253986745 /nfs/dbraw/zinc/98/67/45/1253986745.db2.gz DBCMFUZCQKFEKY-FHLIZLRMSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271296 1253987501 /nfs/dbraw/zinc/98/75/01/1253987501.db2.gz HSEMMXLMQUPTIR-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271296 1253987510 /nfs/dbraw/zinc/98/75/10/1253987510.db2.gz HSEMMXLMQUPTIR-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271296 1253987515 /nfs/dbraw/zinc/98/75/15/1253987515.db2.gz HSEMMXLMQUPTIR-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271296 1253987520 /nfs/dbraw/zinc/98/75/20/1253987520.db2.gz HSEMMXLMQUPTIR-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034737703 1254006035 /nfs/dbraw/zinc/00/60/35/1254006035.db2.gz KOWMGLMKAQJUPJ-KBUPBQIOSA-N 2 2 357.462 0.869 20 0 FCADLP COc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001034975856 1254012372 /nfs/dbraw/zinc/01/23/72/1254012372.db2.gz YHDOKTOFRJFIFV-FVQBIDKESA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001034975856 1254012380 /nfs/dbraw/zinc/01/23/80/1254012380.db2.gz YHDOKTOFRJFIFV-FVQBIDKESA-N 2 2 363.462 0.285 20 0 FCADLP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001519902860 1265797137 /nfs/dbraw/zinc/79/71/37/1265797137.db2.gz VJUQWUVTCSXBQA-NVXWUHKLSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001519902860 1265797141 /nfs/dbraw/zinc/79/71/41/1265797141.db2.gz VJUQWUVTCSXBQA-NVXWUHKLSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccccc3)CCO2)O1 ZINC001035408395 1254035877 /nfs/dbraw/zinc/03/58/77/1254035877.db2.gz QEWXCKQUKSCWIX-BHIYHBOVSA-N 2 2 361.486 0.765 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccccc3)CCO2)O1 ZINC001035408395 1254035887 /nfs/dbraw/zinc/03/58/87/1254035887.db2.gz QEWXCKQUKSCWIX-BHIYHBOVSA-N 2 2 361.486 0.765 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCc3ccccc3)CCO2)O1 ZINC001035408395 1254035902 /nfs/dbraw/zinc/03/59/02/1254035902.db2.gz QEWXCKQUKSCWIX-BHIYHBOVSA-N 2 2 361.486 0.765 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCc3ccccc3)CCO2)O1 ZINC001035408395 1254035910 /nfs/dbraw/zinc/03/59/10/1254035910.db2.gz QEWXCKQUKSCWIX-BHIYHBOVSA-N 2 2 361.486 0.765 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C[NH+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001035798094 1254065053 /nfs/dbraw/zinc/06/50/53/1254065053.db2.gz JJUXIPXZPIXAGQ-OAGGEKHMSA-N 2 2 371.485 0.679 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)[C@@H](c2ccccc2)C1 ZINC001035803588 1254067416 /nfs/dbraw/zinc/06/74/16/1254067416.db2.gz OYRIBCUPPPDFMZ-MSOLQXFVSA-N 2 2 370.497 0.742 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)[C@@H](c2ccccc2)C1 ZINC001035803588 1254067429 /nfs/dbraw/zinc/06/74/29/1254067429.db2.gz OYRIBCUPPPDFMZ-MSOLQXFVSA-N 2 2 370.497 0.742 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001329703318 1265816847 /nfs/dbraw/zinc/81/68/47/1265816847.db2.gz MFLCICCZQHGDSC-JTOWHCCKSA-N 2 2 372.473 0.006 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001329703318 1265816853 /nfs/dbraw/zinc/81/68/53/1265816853.db2.gz MFLCICCZQHGDSC-JTOWHCCKSA-N 2 2 372.473 0.006 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1 ZINC001065709664 1254583606 /nfs/dbraw/zinc/58/36/06/1254583606.db2.gz YBZKQEBYPPOJBQ-MBOZVWFJSA-N 2 2 362.518 0.873 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967737 1254659121 /nfs/dbraw/zinc/65/91/21/1254659121.db2.gz UCVMKGUJFGVFQL-TXPKVOOTSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967737 1254659131 /nfs/dbraw/zinc/65/91/31/1254659131.db2.gz UCVMKGUJFGVFQL-TXPKVOOTSA-N 2 2 368.485 0.954 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565355 1254701047 /nfs/dbraw/zinc/70/10/47/1254701047.db2.gz FGLIJXXWBAEWPJ-ZACQAIPSSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565355 1254701062 /nfs/dbraw/zinc/70/10/62/1254701062.db2.gz FGLIJXXWBAEWPJ-ZACQAIPSSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565355 1254701077 /nfs/dbraw/zinc/70/10/77/1254701077.db2.gz FGLIJXXWBAEWPJ-ZACQAIPSSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565355 1254701092 /nfs/dbraw/zinc/70/10/92/1254701092.db2.gz FGLIJXXWBAEWPJ-ZACQAIPSSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)cc1 ZINC001077565597 1254701369 /nfs/dbraw/zinc/70/13/69/1254701369.db2.gz PWSLBWAJJOSBCG-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)cc1 ZINC001077565597 1254701390 /nfs/dbraw/zinc/70/13/90/1254701390.db2.gz PWSLBWAJJOSBCG-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cc1 ZINC001077565597 1254701408 /nfs/dbraw/zinc/70/14/08/1254701408.db2.gz PWSLBWAJJOSBCG-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cc1 ZINC001077565597 1254701424 /nfs/dbraw/zinc/70/14/24/1254701424.db2.gz PWSLBWAJJOSBCG-GUDVDZBRSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077567012 1254702260 /nfs/dbraw/zinc/70/22/60/1254702260.db2.gz WZBZTRMSWYLVMP-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077567012 1254702269 /nfs/dbraw/zinc/70/22/69/1254702269.db2.gz WZBZTRMSWYLVMP-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567012 1254702275 /nfs/dbraw/zinc/70/22/75/1254702275.db2.gz WZBZTRMSWYLVMP-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567012 1254702285 /nfs/dbraw/zinc/70/22/85/1254702285.db2.gz WZBZTRMSWYLVMP-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077582913 1254734192 /nfs/dbraw/zinc/73/41/92/1254734192.db2.gz YDFXCACKXYAHJR-ARFHVFGLSA-N 2 2 365.474 0.931 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077582913 1254734198 /nfs/dbraw/zinc/73/41/98/1254734198.db2.gz YDFXCACKXYAHJR-ARFHVFGLSA-N 2 2 365.474 0.931 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001077613025 1254778770 /nfs/dbraw/zinc/77/87/70/1254778770.db2.gz WIURHGAOLZAOSE-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001077613025 1254778780 /nfs/dbraw/zinc/77/87/80/1254778780.db2.gz WIURHGAOLZAOSE-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675150 1254856830 /nfs/dbraw/zinc/85/68/30/1254856830.db2.gz CLCYPXNMLFSMBW-JCURWCKSSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675150 1254856836 /nfs/dbraw/zinc/85/68/36/1254856836.db2.gz CLCYPXNMLFSMBW-JCURWCKSSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675150 1254856839 /nfs/dbraw/zinc/85/68/39/1254856839.db2.gz CLCYPXNMLFSMBW-JCURWCKSSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675150 1254856844 /nfs/dbraw/zinc/85/68/44/1254856844.db2.gz CLCYPXNMLFSMBW-JCURWCKSSA-N 2 2 359.430 0.368 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679578 1254865804 /nfs/dbraw/zinc/86/58/04/1254865804.db2.gz WBXHBJIAOGBMDT-ZTFGCOKTSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679578 1254865812 /nfs/dbraw/zinc/86/58/12/1254865812.db2.gz WBXHBJIAOGBMDT-ZTFGCOKTSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679578 1254865818 /nfs/dbraw/zinc/86/58/18/1254865818.db2.gz WBXHBJIAOGBMDT-ZTFGCOKTSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679578 1254865826 /nfs/dbraw/zinc/86/58/26/1254865826.db2.gz WBXHBJIAOGBMDT-ZTFGCOKTSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001078080946 1255213404 /nfs/dbraw/zinc/21/34/04/1255213404.db2.gz LXYBBKGPNQFPEU-KBAYOESNSA-N 2 2 358.442 0.026 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001078080946 1255213407 /nfs/dbraw/zinc/21/34/07/1255213407.db2.gz LXYBBKGPNQFPEU-KBAYOESNSA-N 2 2 358.442 0.026 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078182004 1255296679 /nfs/dbraw/zinc/29/66/79/1255296679.db2.gz AGZFLTLFFUCHGK-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078182004 1255296685 /nfs/dbraw/zinc/29/66/85/1255296685.db2.gz AGZFLTLFFUCHGK-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205905 1255319807 /nfs/dbraw/zinc/31/98/07/1255319807.db2.gz IVKIYLHWJRURQZ-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205905 1255319815 /nfs/dbraw/zinc/31/98/15/1255319815.db2.gz IVKIYLHWJRURQZ-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205905 1255319823 /nfs/dbraw/zinc/31/98/23/1255319823.db2.gz IVKIYLHWJRURQZ-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205905 1255319835 /nfs/dbraw/zinc/31/98/35/1255319835.db2.gz IVKIYLHWJRURQZ-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209849 1255324498 /nfs/dbraw/zinc/32/44/98/1255324498.db2.gz MJPVHOJGFPONIH-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209849 1255324506 /nfs/dbraw/zinc/32/45/06/1255324506.db2.gz MJPVHOJGFPONIH-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209849 1255324514 /nfs/dbraw/zinc/32/45/14/1255324514.db2.gz MJPVHOJGFPONIH-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209849 1255324522 /nfs/dbraw/zinc/32/45/22/1255324522.db2.gz MJPVHOJGFPONIH-QRVBRYPASA-N 2 2 361.486 0.685 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078230712 1255345107 /nfs/dbraw/zinc/34/51/07/1255345107.db2.gz NNQNKCDEGODQQN-RTBURBONSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078230712 1255345115 /nfs/dbraw/zinc/34/51/15/1255345115.db2.gz NNQNKCDEGODQQN-RTBURBONSA-N 2 2 371.485 0.765 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078404376 1255408770 /nfs/dbraw/zinc/40/87/70/1255408770.db2.gz ZQXHVDCROLJHAS-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078404376 1255408772 /nfs/dbraw/zinc/40/87/72/1255408772.db2.gz ZQXHVDCROLJHAS-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001078522083 1255426730 /nfs/dbraw/zinc/42/67/30/1255426730.db2.gz DUKCPCICLHHAEG-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079270928 1255495831 /nfs/dbraw/zinc/49/58/31/1255495831.db2.gz CHSOUAXGUYPUSR-DOTOQJQBSA-N 2 2 362.474 0.582 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717358 1255582999 /nfs/dbraw/zinc/58/29/99/1255582999.db2.gz DVKXJFRBKKHACF-CZUORRHYSA-N 2 2 360.462 0.991 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717358 1255583003 /nfs/dbraw/zinc/58/30/03/1255583003.db2.gz DVKXJFRBKKHACF-CZUORRHYSA-N 2 2 360.462 0.991 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846697 1255632223 /nfs/dbraw/zinc/63/22/23/1255632223.db2.gz YUZCAEPAAAMMJH-OAGGEKHMSA-N 2 2 359.474 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846697 1255632227 /nfs/dbraw/zinc/63/22/27/1255632227.db2.gz YUZCAEPAAAMMJH-OAGGEKHMSA-N 2 2 359.474 0.819 20 0 FCADLP CCN(C(=O)C[N@H+](C)C(C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001079931612 1255670219 /nfs/dbraw/zinc/67/02/19/1255670219.db2.gz ZUXGCRZEBUYPKM-HZPDHXFCSA-N 2 2 361.490 0.923 20 0 FCADLP CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001079931612 1255670224 /nfs/dbraw/zinc/67/02/24/1255670224.db2.gz ZUXGCRZEBUYPKM-HZPDHXFCSA-N 2 2 361.490 0.923 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1=O ZINC001079947781 1255675970 /nfs/dbraw/zinc/67/59/70/1255675970.db2.gz MTACZRICHIGAKU-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1=O ZINC001079947781 1255675979 /nfs/dbraw/zinc/67/59/79/1255675979.db2.gz MTACZRICHIGAKU-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001079991684 1255695780 /nfs/dbraw/zinc/69/57/80/1255695780.db2.gz PBXAQMJQMNAYAY-RPVQJOFSSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001079991684 1255695785 /nfs/dbraw/zinc/69/57/85/1255695785.db2.gz PBXAQMJQMNAYAY-RPVQJOFSSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991803 1255697621 /nfs/dbraw/zinc/69/76/21/1255697621.db2.gz SMSDFQHANRTDBG-DJIMGWMZSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991803 1255697630 /nfs/dbraw/zinc/69/76/30/1255697630.db2.gz SMSDFQHANRTDBG-DJIMGWMZSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052805 1255726716 /nfs/dbraw/zinc/72/67/16/1255726716.db2.gz PJDXNBREMRTSMR-DFBGVHRSSA-N 2 2 355.398 0.190 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052805 1255726725 /nfs/dbraw/zinc/72/67/25/1255726725.db2.gz PJDXNBREMRTSMR-DFBGVHRSSA-N 2 2 355.398 0.190 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099242 1255742239 /nfs/dbraw/zinc/74/22/39/1255742239.db2.gz ADQIEHXPASKVCB-DAXOMENPSA-N 2 2 354.414 0.206 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099242 1255742244 /nfs/dbraw/zinc/74/22/44/1255742244.db2.gz ADQIEHXPASKVCB-DAXOMENPSA-N 2 2 354.414 0.206 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)on1 ZINC001080325251 1255840381 /nfs/dbraw/zinc/84/03/81/1255840381.db2.gz XSHDGNIBISWLLY-FVQBIDKESA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)on1 ZINC001080325251 1255840396 /nfs/dbraw/zinc/84/03/96/1255840396.db2.gz XSHDGNIBISWLLY-FVQBIDKESA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)on1 ZINC001080325251 1255840406 /nfs/dbraw/zinc/84/04/06/1255840406.db2.gz XSHDGNIBISWLLY-FVQBIDKESA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)on1 ZINC001080325251 1255840421 /nfs/dbraw/zinc/84/04/21/1255840421.db2.gz XSHDGNIBISWLLY-FVQBIDKESA-N 2 2 366.462 0.729 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454294 1255896890 /nfs/dbraw/zinc/89/68/90/1255896890.db2.gz DZALNRSOGWSPOI-DVOMOZLQSA-N 2 2 363.462 0.455 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454294 1255896900 /nfs/dbraw/zinc/89/69/00/1255896900.db2.gz DZALNRSOGWSPOI-DVOMOZLQSA-N 2 2 363.462 0.455 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471030 1255905670 /nfs/dbraw/zinc/90/56/70/1255905670.db2.gz LGDANQOKZIDGLU-MWQQHZPXSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471030 1255905678 /nfs/dbraw/zinc/90/56/78/1255905678.db2.gz LGDANQOKZIDGLU-MWQQHZPXSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080470889 1255905984 /nfs/dbraw/zinc/90/59/84/1255905984.db2.gz BWKSCPXGUXWPOM-KLHDSHLOSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080470889 1255905989 /nfs/dbraw/zinc/90/59/89/1255905989.db2.gz BWKSCPXGUXWPOM-KLHDSHLOSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1)C(N)=O ZINC001081111366 1256181448 /nfs/dbraw/zinc/18/14/48/1256181448.db2.gz SOEOTTUPYVUKST-VNQPRFMTSA-N 2 2 355.442 0.800 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081153948 1256194533 /nfs/dbraw/zinc/19/45/33/1256194533.db2.gz NJULDPODOWVUBT-RCCFBDPRSA-N 2 2 367.453 0.746 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081213952 1256208939 /nfs/dbraw/zinc/20/89/39/1256208939.db2.gz XLZOEWTVBJGDIP-OKZBNKHCSA-N 2 2 367.453 0.435 20 0 FCADLP CO[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481433 1256270195 /nfs/dbraw/zinc/27/01/95/1256270195.db2.gz IRAZGJHFBNMIKE-KZNAEPCWSA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481433 1256270200 /nfs/dbraw/zinc/27/02/00/1256270200.db2.gz IRAZGJHFBNMIKE-KZNAEPCWSA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481433 1256270203 /nfs/dbraw/zinc/27/02/03/1256270203.db2.gz IRAZGJHFBNMIKE-KZNAEPCWSA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481433 1256270205 /nfs/dbraw/zinc/27/02/05/1256270205.db2.gz IRAZGJHFBNMIKE-KZNAEPCWSA-N 2 2 363.458 0.211 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846989 1256408923 /nfs/dbraw/zinc/40/89/23/1256408923.db2.gz OPRBQXPOWBSZCG-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846989 1256408926 /nfs/dbraw/zinc/40/89/26/1256408926.db2.gz OPRBQXPOWBSZCG-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ncccc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846989 1256408931 /nfs/dbraw/zinc/40/89/31/1256408931.db2.gz OPRBQXPOWBSZCG-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ncccc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846989 1256408934 /nfs/dbraw/zinc/40/89/34/1256408934.db2.gz OPRBQXPOWBSZCG-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853233 1256411871 /nfs/dbraw/zinc/41/18/71/1256411871.db2.gz GFEMYYBTVYGNQX-QZTJIDSGSA-N 2 2 368.441 0.968 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853233 1256411872 /nfs/dbraw/zinc/41/18/72/1256411872.db2.gz GFEMYYBTVYGNQX-QZTJIDSGSA-N 2 2 368.441 0.968 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856990 1256414931 /nfs/dbraw/zinc/41/49/31/1256414931.db2.gz SWONANILCDGNAS-OWCLPIDISA-N 2 2 365.478 0.610 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856990 1256414936 /nfs/dbraw/zinc/41/49/36/1256414936.db2.gz SWONANILCDGNAS-OWCLPIDISA-N 2 2 365.478 0.610 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081856990 1256414940 /nfs/dbraw/zinc/41/49/40/1256414940.db2.gz SWONANILCDGNAS-OWCLPIDISA-N 2 2 365.478 0.610 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081856990 1256414943 /nfs/dbraw/zinc/41/49/43/1256414943.db2.gz SWONANILCDGNAS-OWCLPIDISA-N 2 2 365.478 0.610 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001081871119 1256422838 /nfs/dbraw/zinc/42/28/38/1256422838.db2.gz YTIFWIXQZPAPFV-GVDBMIGSSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001081871119 1256422839 /nfs/dbraw/zinc/42/28/39/1256422839.db2.gz YTIFWIXQZPAPFV-GVDBMIGSSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001081870794 1256422939 /nfs/dbraw/zinc/42/29/39/1256422939.db2.gz MXWCXGYTSACBEN-BMGDILEWSA-N 2 2 362.474 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001081870794 1256422940 /nfs/dbraw/zinc/42/29/40/1256422940.db2.gz MXWCXGYTSACBEN-BMGDILEWSA-N 2 2 362.474 0.830 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001081883677 1256429717 /nfs/dbraw/zinc/42/97/17/1256429717.db2.gz RAPKUCWJTIXDMC-FGTMMUONSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001081883677 1256429720 /nfs/dbraw/zinc/42/97/20/1256429720.db2.gz RAPKUCWJTIXDMC-FGTMMUONSA-N 2 2 363.506 0.856 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H](OC)C2)C1=O ZINC001081899604 1256442317 /nfs/dbraw/zinc/44/23/17/1256442317.db2.gz ABTNKUUGZLOORR-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@H](OC)C2)C1=O ZINC001081899604 1256442319 /nfs/dbraw/zinc/44/23/19/1256442319.db2.gz ABTNKUUGZLOORR-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082063978 1256518041 /nfs/dbraw/zinc/51/80/41/1256518041.db2.gz NELAYNLLVYWZLY-KZNAEPCWSA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082063978 1256518046 /nfs/dbraw/zinc/51/80/46/1256518046.db2.gz NELAYNLLVYWZLY-KZNAEPCWSA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082063978 1256518051 /nfs/dbraw/zinc/51/80/51/1256518051.db2.gz NELAYNLLVYWZLY-KZNAEPCWSA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082063978 1256518056 /nfs/dbraw/zinc/51/80/56/1256518056.db2.gz NELAYNLLVYWZLY-KZNAEPCWSA-N 2 2 362.474 0.506 20 0 FCADLP CSC1(CNC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)CC[NH+](C)CC1 ZINC001520968619 1266053965 /nfs/dbraw/zinc/05/39/65/1266053965.db2.gz AYXSJABDMOAWBG-OAHLLOKOSA-N 2 2 357.568 0.749 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)c1 ZINC001082327335 1256667692 /nfs/dbraw/zinc/66/76/92/1256667692.db2.gz ODWHKUCLPPVQHI-QZTJIDSGSA-N 2 2 358.442 0.987 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)c1 ZINC001082327335 1256667696 /nfs/dbraw/zinc/66/76/96/1256667696.db2.gz ODWHKUCLPPVQHI-QZTJIDSGSA-N 2 2 358.442 0.987 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328848 1256671610 /nfs/dbraw/zinc/67/16/10/1256671610.db2.gz OLNMXGHJLFTZBZ-IAGOWNOFSA-N 2 2 360.458 0.963 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328848 1256671613 /nfs/dbraw/zinc/67/16/13/1256671613.db2.gz OLNMXGHJLFTZBZ-IAGOWNOFSA-N 2 2 360.458 0.963 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001082329738 1256672072 /nfs/dbraw/zinc/67/20/72/1256672072.db2.gz IFNFVXCBQXOXHG-NVXWUHKLSA-N 2 2 358.446 0.473 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001082329738 1256672079 /nfs/dbraw/zinc/67/20/79/1256672079.db2.gz IFNFVXCBQXOXHG-NVXWUHKLSA-N 2 2 358.446 0.473 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371140 1256720711 /nfs/dbraw/zinc/72/07/11/1256720711.db2.gz UYCMLAWSIZWPFJ-IAGOWNOFSA-N 2 2 361.490 0.559 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371140 1256720715 /nfs/dbraw/zinc/72/07/15/1256720715.db2.gz UYCMLAWSIZWPFJ-IAGOWNOFSA-N 2 2 361.490 0.559 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001082382643 1256733886 /nfs/dbraw/zinc/73/38/86/1256733886.db2.gz MUJGQJFGCCQTJG-IXDOHACOSA-N 2 2 360.458 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001082382643 1256733890 /nfs/dbraw/zinc/73/38/90/1256733890.db2.gz MUJGQJFGCCQTJG-IXDOHACOSA-N 2 2 360.458 0.066 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)n1C ZINC001330567497 1266061508 /nfs/dbraw/zinc/06/15/08/1266061508.db2.gz IHKOGBLBNHTZGT-UHFFFAOYSA-N 2 2 363.510 0.408 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)co1 ZINC001082558790 1256856081 /nfs/dbraw/zinc/85/60/81/1256856081.db2.gz GROWFSYJLVSPPA-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCC3=O)C2)c[nH+]1 ZINC001082585921 1256900821 /nfs/dbraw/zinc/90/08/21/1256900821.db2.gz PMCICALJTCVGTL-GDBMZVCRSA-N 2 2 361.490 0.986 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)c[nH+]1 ZINC001082588759 1256901908 /nfs/dbraw/zinc/90/19/08/1256901908.db2.gz NOOOCTWPGKNSPT-UKRRQHHQSA-N 2 2 362.478 0.388 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001082590406 1256904052 /nfs/dbraw/zinc/90/40/52/1256904052.db2.gz VEESJULUQGRSJJ-KBUPBQIOSA-N 2 2 364.494 0.584 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001082590406 1256904055 /nfs/dbraw/zinc/90/40/55/1256904055.db2.gz VEESJULUQGRSJJ-KBUPBQIOSA-N 2 2 364.494 0.584 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C)n1 ZINC001082603314 1256915357 /nfs/dbraw/zinc/91/53/57/1256915357.db2.gz UVYULCJVIYDWNB-KBRIMQKVSA-N 2 2 371.489 0.791 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082664014 1256966317 /nfs/dbraw/zinc/96/63/17/1256966317.db2.gz RTHSDKINBAHYLM-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082664014 1256966320 /nfs/dbraw/zinc/96/63/20/1256966320.db2.gz RTHSDKINBAHYLM-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082673442 1256972137 /nfs/dbraw/zinc/97/21/37/1256972137.db2.gz OIIGZBANKXMHHR-UKRRQHHQSA-N 2 2 357.462 0.916 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082681681 1256982834 /nfs/dbraw/zinc/98/28/34/1256982834.db2.gz LECCSWSLQIEDGA-ZIAGYGMSSA-N 2 2 364.494 0.947 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082703364 1256994983 /nfs/dbraw/zinc/99/49/83/1256994983.db2.gz OYJCCXODYXHJBH-KFWWJZLASA-N 2 2 365.478 0.678 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082703364 1256994985 /nfs/dbraw/zinc/99/49/85/1256994985.db2.gz OYJCCXODYXHJBH-KFWWJZLASA-N 2 2 365.478 0.678 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703501 1256996364 /nfs/dbraw/zinc/99/63/64/1256996364.db2.gz YFOBULUPLIUZNP-KFWWJZLASA-N 2 2 365.478 0.678 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703501 1256996368 /nfs/dbraw/zinc/99/63/68/1256996368.db2.gz YFOBULUPLIUZNP-KFWWJZLASA-N 2 2 365.478 0.678 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703502 1256996718 /nfs/dbraw/zinc/99/67/18/1256996718.db2.gz YFOBULUPLIUZNP-RBSFLKMASA-N 2 2 365.478 0.678 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703502 1256996724 /nfs/dbraw/zinc/99/67/24/1256996724.db2.gz YFOBULUPLIUZNP-RBSFLKMASA-N 2 2 365.478 0.678 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082724219 1257009879 /nfs/dbraw/zinc/00/98/79/1257009879.db2.gz QEPKHWIWMDGRFU-CKEIUWERSA-N 2 2 367.494 0.781 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C)n1C ZINC001082751068 1257031729 /nfs/dbraw/zinc/03/17/29/1257031729.db2.gz FQHJLUXWEZVMOB-KBUPBQIOSA-N 2 2 371.489 0.851 20 0 FCADLP CN(C)c1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC001330733088 1266084769 /nfs/dbraw/zinc/08/47/69/1266084769.db2.gz PZKYBWQEYGCTDX-UHFFFAOYSA-N 2 2 360.462 0.920 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082795915 1257057559 /nfs/dbraw/zinc/05/75/59/1257057559.db2.gz KSYOIUOYTCAALF-UMVBOHGHSA-N 2 2 361.446 0.174 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082795915 1257057569 /nfs/dbraw/zinc/05/75/69/1257057569.db2.gz KSYOIUOYTCAALF-UMVBOHGHSA-N 2 2 361.446 0.174 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807730 1257066997 /nfs/dbraw/zinc/06/69/97/1257066997.db2.gz AMXADHBVMONTMG-HZPDHXFCSA-N 2 2 364.494 0.518 20 0 FCADLP Cc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@H]3C2)c1 ZINC001083034706 1257226742 /nfs/dbraw/zinc/22/67/42/1257226742.db2.gz OGGRNSNXLXYMAC-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@H]3C2)c1 ZINC001083034706 1257226745 /nfs/dbraw/zinc/22/67/45/1257226745.db2.gz OGGRNSNXLXYMAC-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@H]3C2)c1 ZINC001083034706 1257226748 /nfs/dbraw/zinc/22/67/48/1257226748.db2.gz OGGRNSNXLXYMAC-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@H]3C2)c1 ZINC001083034706 1257226752 /nfs/dbraw/zinc/22/67/52/1257226752.db2.gz OGGRNSNXLXYMAC-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083065813 1257259884 /nfs/dbraw/zinc/25/98/84/1257259884.db2.gz UWOKLSZIIAUFIM-ZWKOTPCHSA-N 2 2 370.453 0.946 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083065813 1257259886 /nfs/dbraw/zinc/25/98/86/1257259886.db2.gz UWOKLSZIIAUFIM-ZWKOTPCHSA-N 2 2 370.453 0.946 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083707 1257284307 /nfs/dbraw/zinc/28/43/07/1257284307.db2.gz HLIBHXNYXGFCQM-YTQUADARSA-N 2 2 371.485 0.538 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083707 1257284309 /nfs/dbraw/zinc/28/43/09/1257284309.db2.gz HLIBHXNYXGFCQM-YTQUADARSA-N 2 2 371.485 0.538 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083105920 1257322132 /nfs/dbraw/zinc/32/21/32/1257322132.db2.gz AFZIXKIUBBEOSW-FHLIZLRMSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083105920 1257322140 /nfs/dbraw/zinc/32/21/40/1257322140.db2.gz AFZIXKIUBBEOSW-FHLIZLRMSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@H](c1cnccn1)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083105920 1257322150 /nfs/dbraw/zinc/32/21/50/1257322150.db2.gz AFZIXKIUBBEOSW-FHLIZLRMSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@H](c1cnccn1)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083105920 1257322158 /nfs/dbraw/zinc/32/21/58/1257322158.db2.gz AFZIXKIUBBEOSW-FHLIZLRMSA-N 2 2 359.474 0.934 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286706 1266108028 /nfs/dbraw/zinc/10/80/28/1266108028.db2.gz NNUROIWQADXYAO-MJGOQNOKSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286706 1266108033 /nfs/dbraw/zinc/10/80/33/1266108033.db2.gz NNUROIWQADXYAO-MJGOQNOKSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286706 1266108036 /nfs/dbraw/zinc/10/80/36/1266108036.db2.gz NNUROIWQADXYAO-MJGOQNOKSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[N@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286706 1266108039 /nfs/dbraw/zinc/10/80/39/1266108039.db2.gz NNUROIWQADXYAO-MJGOQNOKSA-N 2 2 363.550 0.392 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083132472 1257379056 /nfs/dbraw/zinc/37/90/56/1257379056.db2.gz XSIZUTIAJSAAPE-DLBZAZTESA-N 2 2 367.413 0.151 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083132472 1257379065 /nfs/dbraw/zinc/37/90/65/1257379065.db2.gz XSIZUTIAJSAAPE-DLBZAZTESA-N 2 2 367.413 0.151 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140202 1257389553 /nfs/dbraw/zinc/38/95/53/1257389553.db2.gz RNJWZEADLRNPRW-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140202 1257389560 /nfs/dbraw/zinc/38/95/60/1257389560.db2.gz RNJWZEADLRNPRW-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083749683 1257489469 /nfs/dbraw/zinc/48/94/69/1257489469.db2.gz MIGOINUMOOAQAY-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083749683 1257489473 /nfs/dbraw/zinc/48/94/73/1257489473.db2.gz MIGOINUMOOAQAY-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781576 1257526167 /nfs/dbraw/zinc/52/61/67/1257526167.db2.gz NESZQERRCLSVAN-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781576 1257526171 /nfs/dbraw/zinc/52/61/71/1257526171.db2.gz NESZQERRCLSVAN-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781576 1257526175 /nfs/dbraw/zinc/52/61/75/1257526175.db2.gz NESZQERRCLSVAN-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781576 1257526179 /nfs/dbraw/zinc/52/61/79/1257526179.db2.gz NESZQERRCLSVAN-OLMNPRSZSA-N 2 2 365.449 0.708 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001083908525 1257688581 /nfs/dbraw/zinc/68/85/81/1257688581.db2.gz IUVDYHUUVNUKAG-OLMNPRSZSA-N 2 2 361.490 0.819 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001083908525 1257688585 /nfs/dbraw/zinc/68/85/85/1257688585.db2.gz IUVDYHUUVNUKAG-OLMNPRSZSA-N 2 2 361.490 0.819 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955185 1257743978 /nfs/dbraw/zinc/74/39/78/1257743978.db2.gz ZWQHTGCITOSUIH-VHSSKADRSA-N 2 2 365.449 0.321 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955185 1257743987 /nfs/dbraw/zinc/74/39/87/1257743987.db2.gz ZWQHTGCITOSUIH-VHSSKADRSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955185 1257743990 /nfs/dbraw/zinc/74/39/90/1257743990.db2.gz ZWQHTGCITOSUIH-VHSSKADRSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955185 1257743998 /nfs/dbraw/zinc/74/39/98/1257743998.db2.gz ZWQHTGCITOSUIH-VHSSKADRSA-N 2 2 365.449 0.321 20 0 FCADLP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954679 1257744163 /nfs/dbraw/zinc/74/41/63/1257744163.db2.gz CIPPUVICCPPYCK-MSOLQXFVSA-N 2 2 358.442 0.511 20 0 FCADLP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954679 1257744167 /nfs/dbraw/zinc/74/41/67/1257744167.db2.gz CIPPUVICCPPYCK-MSOLQXFVSA-N 2 2 358.442 0.511 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958671 1257748691 /nfs/dbraw/zinc/74/86/91/1257748691.db2.gz PULSQGNXUONZJD-CABCVRRESA-N 2 2 362.474 0.864 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958671 1257748696 /nfs/dbraw/zinc/74/86/96/1257748696.db2.gz PULSQGNXUONZJD-CABCVRRESA-N 2 2 362.474 0.864 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)c1 ZINC001084059555 1257875927 /nfs/dbraw/zinc/87/59/27/1257875927.db2.gz NSMCTKGDCWMKBM-MSOLQXFVSA-N 2 2 371.441 0.511 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)c1 ZINC001084059555 1257875937 /nfs/dbraw/zinc/87/59/37/1257875937.db2.gz NSMCTKGDCWMKBM-MSOLQXFVSA-N 2 2 371.441 0.511 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077046 1257903194 /nfs/dbraw/zinc/90/31/94/1257903194.db2.gz CWLDWDLNFAKRIM-UOCAZYCNSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077046 1257903197 /nfs/dbraw/zinc/90/31/97/1257903197.db2.gz CWLDWDLNFAKRIM-UOCAZYCNSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077046 1257903200 /nfs/dbraw/zinc/90/32/00/1257903200.db2.gz CWLDWDLNFAKRIM-UOCAZYCNSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077046 1257903203 /nfs/dbraw/zinc/90/32/03/1257903203.db2.gz CWLDWDLNFAKRIM-UOCAZYCNSA-N 2 2 359.470 0.582 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087503 1257911659 /nfs/dbraw/zinc/91/16/59/1257911659.db2.gz PVJOPIRYJNAKHT-MOPGFXCFSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087503 1257911662 /nfs/dbraw/zinc/91/16/62/1257911662.db2.gz PVJOPIRYJNAKHT-MOPGFXCFSA-N 2 2 371.485 0.765 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231693 1257978893 /nfs/dbraw/zinc/97/88/93/1257978893.db2.gz IYZROOKVJVUCAC-FVQBIDKESA-N 2 2 370.457 0.150 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231693 1257978898 /nfs/dbraw/zinc/97/88/98/1257978898.db2.gz IYZROOKVJVUCAC-FVQBIDKESA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231693 1257978902 /nfs/dbraw/zinc/97/89/02/1257978902.db2.gz IYZROOKVJVUCAC-FVQBIDKESA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231693 1257978907 /nfs/dbraw/zinc/97/89/07/1257978907.db2.gz IYZROOKVJVUCAC-FVQBIDKESA-N 2 2 370.457 0.150 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)n1 ZINC001084311806 1258016678 /nfs/dbraw/zinc/01/66/78/1258016678.db2.gz YEEJPNHPOXMSQV-HZPDHXFCSA-N 2 2 357.462 0.784 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)n1 ZINC001084311806 1258016685 /nfs/dbraw/zinc/01/66/85/1258016685.db2.gz YEEJPNHPOXMSQV-HZPDHXFCSA-N 2 2 357.462 0.784 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446749 1258116786 /nfs/dbraw/zinc/11/67/86/1258116786.db2.gz MKHXIRRDNUUPMO-DTTOXWODSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446749 1258116788 /nfs/dbraw/zinc/11/67/88/1258116788.db2.gz MKHXIRRDNUUPMO-DTTOXWODSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446749 1258116792 /nfs/dbraw/zinc/11/67/92/1258116792.db2.gz MKHXIRRDNUUPMO-DTTOXWODSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446749 1258116798 /nfs/dbraw/zinc/11/67/98/1258116798.db2.gz MKHXIRRDNUUPMO-DTTOXWODSA-N 2 2 362.474 0.989 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001084446835 1258117104 /nfs/dbraw/zinc/11/71/04/1258117104.db2.gz RAGMHSGQEDVNSE-VDHUWJSZSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001084446835 1258117107 /nfs/dbraw/zinc/11/71/07/1258117107.db2.gz RAGMHSGQEDVNSE-VDHUWJSZSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001084446835 1258117109 /nfs/dbraw/zinc/11/71/09/1258117109.db2.gz RAGMHSGQEDVNSE-VDHUWJSZSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001084446835 1258117110 /nfs/dbraw/zinc/11/71/10/1258117110.db2.gz RAGMHSGQEDVNSE-VDHUWJSZSA-N 2 2 374.485 0.842 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084452563 1258119217 /nfs/dbraw/zinc/11/92/17/1258119217.db2.gz LSWFCSTZWDCTIG-CXAGYDPISA-N 2 2 368.441 0.734 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001084452563 1258119220 /nfs/dbraw/zinc/11/92/20/1258119220.db2.gz LSWFCSTZWDCTIG-CXAGYDPISA-N 2 2 368.441 0.734 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511401 1258145865 /nfs/dbraw/zinc/14/58/65/1258145865.db2.gz WUCUBVHSFAWYND-JJRVBVJISA-N 2 2 368.441 0.548 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511401 1258145869 /nfs/dbraw/zinc/14/58/69/1258145869.db2.gz WUCUBVHSFAWYND-JJRVBVJISA-N 2 2 368.441 0.548 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084560837 1258170488 /nfs/dbraw/zinc/17/04/88/1258170488.db2.gz FKEUJFSNVFYYBE-BRWVUGGUSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084560837 1258170493 /nfs/dbraw/zinc/17/04/93/1258170493.db2.gz FKEUJFSNVFYYBE-BRWVUGGUSA-N 2 2 359.474 0.815 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084561102 1258170614 /nfs/dbraw/zinc/17/06/14/1258170614.db2.gz SLSGSKXSVGWHNY-IXDOHACOSA-N 2 2 358.446 0.064 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084561102 1258170616 /nfs/dbraw/zinc/17/06/16/1258170616.db2.gz SLSGSKXSVGWHNY-IXDOHACOSA-N 2 2 358.446 0.064 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084614405 1258201293 /nfs/dbraw/zinc/20/12/93/1258201293.db2.gz VCRGAOVACQAVQN-FVQBIDKESA-N 2 2 360.458 0.766 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084614405 1258201300 /nfs/dbraw/zinc/20/13/00/1258201300.db2.gz VCRGAOVACQAVQN-FVQBIDKESA-N 2 2 360.458 0.766 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629050 1258209260 /nfs/dbraw/zinc/20/92/60/1258209260.db2.gz BLJLFWTZIANUNR-SJLPKXTDSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629050 1258209263 /nfs/dbraw/zinc/20/92/63/1258209263.db2.gz BLJLFWTZIANUNR-SJLPKXTDSA-N 2 2 360.506 0.981 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662939 1258225832 /nfs/dbraw/zinc/22/58/32/1258225832.db2.gz FEMGZJSOCHAEMB-CLCXKQKWSA-N 2 2 368.497 0.820 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662939 1258225836 /nfs/dbraw/zinc/22/58/36/1258225836.db2.gz FEMGZJSOCHAEMB-CLCXKQKWSA-N 2 2 368.497 0.820 20 0 FCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662939 1258225837 /nfs/dbraw/zinc/22/58/37/1258225837.db2.gz FEMGZJSOCHAEMB-CLCXKQKWSA-N 2 2 368.497 0.820 20 0 FCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662939 1258225840 /nfs/dbraw/zinc/22/58/40/1258225840.db2.gz FEMGZJSOCHAEMB-CLCXKQKWSA-N 2 2 368.497 0.820 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662479 1258225900 /nfs/dbraw/zinc/22/59/00/1258225900.db2.gz MARPRQNDDNIHKY-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662479 1258225904 /nfs/dbraw/zinc/22/59/04/1258225904.db2.gz MARPRQNDDNIHKY-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662479 1258225909 /nfs/dbraw/zinc/22/59/09/1258225909.db2.gz MARPRQNDDNIHKY-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662479 1258225912 /nfs/dbraw/zinc/22/59/12/1258225912.db2.gz MARPRQNDDNIHKY-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001084676119 1258238899 /nfs/dbraw/zinc/23/88/99/1258238899.db2.gz SNAAZJWDLNUTHI-ZJPYXAASSA-N 2 2 356.470 0.350 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001084676119 1258238902 /nfs/dbraw/zinc/23/89/02/1258238902.db2.gz SNAAZJWDLNUTHI-ZJPYXAASSA-N 2 2 356.470 0.350 20 0 FCADLP C[NH+]1C[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001084676119 1258238909 /nfs/dbraw/zinc/23/89/09/1258238909.db2.gz SNAAZJWDLNUTHI-ZJPYXAASSA-N 2 2 356.470 0.350 20 0 FCADLP C[NH+]1C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC001084676119 1258238915 /nfs/dbraw/zinc/23/89/15/1258238915.db2.gz SNAAZJWDLNUTHI-ZJPYXAASSA-N 2 2 356.470 0.350 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001084692178 1258244736 /nfs/dbraw/zinc/24/47/36/1258244736.db2.gz WHDRTKXKRODTQY-GVDBMIGSSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001084692178 1258244740 /nfs/dbraw/zinc/24/47/40/1258244740.db2.gz WHDRTKXKRODTQY-GVDBMIGSSA-N 2 2 359.474 0.989 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084700600 1258251034 /nfs/dbraw/zinc/25/10/34/1258251034.db2.gz PLCOFZOSBGARIO-OWCLPIDISA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084700600 1258251039 /nfs/dbraw/zinc/25/10/39/1258251039.db2.gz PLCOFZOSBGARIO-OWCLPIDISA-N 2 2 359.474 0.818 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084775343 1258315813 /nfs/dbraw/zinc/31/58/13/1258315813.db2.gz BRZVLCZUUZBHNX-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001084775343 1258315819 /nfs/dbraw/zinc/31/58/19/1258315819.db2.gz BRZVLCZUUZBHNX-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001084775343 1258315827 /nfs/dbraw/zinc/31/58/27/1258315827.db2.gz BRZVLCZUUZBHNX-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001084775343 1258315837 /nfs/dbraw/zinc/31/58/37/1258315837.db2.gz BRZVLCZUUZBHNX-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084775231 1258316568 /nfs/dbraw/zinc/31/65/68/1258316568.db2.gz YCJHEYFIQGIBBR-GDBMZVCRSA-N 2 2 358.446 0.820 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084775231 1258316575 /nfs/dbraw/zinc/31/65/75/1258316575.db2.gz YCJHEYFIQGIBBR-GDBMZVCRSA-N 2 2 358.446 0.820 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21)N1CCC1 ZINC001084974570 1258486598 /nfs/dbraw/zinc/48/65/98/1258486598.db2.gz IIPXDHLDINBGEW-RYRKJORJSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21)N1CCC1 ZINC001084974570 1258486601 /nfs/dbraw/zinc/48/66/01/1258486601.db2.gz IIPXDHLDINBGEW-RYRKJORJSA-N 2 2 371.485 0.601 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001084991001 1258501950 /nfs/dbraw/zinc/50/19/50/1258501950.db2.gz UIHLDVHBNUVLSY-PBHICJAKSA-N 2 2 359.474 0.431 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@@H]21 ZINC001084991001 1258501955 /nfs/dbraw/zinc/50/19/55/1258501955.db2.gz UIHLDVHBNUVLSY-PBHICJAKSA-N 2 2 359.474 0.431 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]32)nn1 ZINC001085033480 1258535750 /nfs/dbraw/zinc/53/57/50/1258535750.db2.gz IORWURCZLRIMQD-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]32)nn1 ZINC001085033480 1258535751 /nfs/dbraw/zinc/53/57/51/1258535751.db2.gz IORWURCZLRIMQD-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@@H]32)nn1 ZINC001085033480 1258535758 /nfs/dbraw/zinc/53/57/58/1258535758.db2.gz IORWURCZLRIMQD-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@@H]32)nn1 ZINC001085033480 1258535763 /nfs/dbraw/zinc/53/57/63/1258535763.db2.gz IORWURCZLRIMQD-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085044210 1258544193 /nfs/dbraw/zinc/54/41/93/1258544193.db2.gz GYHGTWQOKXIYKK-BMFZPTHFSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085044210 1258544201 /nfs/dbraw/zinc/54/42/01/1258544201.db2.gz GYHGTWQOKXIYKK-BMFZPTHFSA-N 2 2 355.446 0.654 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101676 1258596013 /nfs/dbraw/zinc/59/60/13/1258596013.db2.gz YUOUWKKMOIDYAV-HHXXYDBFSA-N 2 2 358.486 0.958 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101676 1258596020 /nfs/dbraw/zinc/59/60/20/1258596020.db2.gz YUOUWKKMOIDYAV-HHXXYDBFSA-N 2 2 358.486 0.958 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087166042 1258634921 /nfs/dbraw/zinc/63/49/21/1258634921.db2.gz WLQBBIRNBNHWDW-PMPSAXMXSA-N 2 2 363.510 0.800 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087166042 1258634928 /nfs/dbraw/zinc/63/49/28/1258634928.db2.gz WLQBBIRNBNHWDW-PMPSAXMXSA-N 2 2 363.510 0.800 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135317 1258653643 /nfs/dbraw/zinc/65/36/43/1258653643.db2.gz FZGFQQRNYNLPRN-OAGGEKHMSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135317 1258653648 /nfs/dbraw/zinc/65/36/48/1258653648.db2.gz FZGFQQRNYNLPRN-OAGGEKHMSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135317 1258653656 /nfs/dbraw/zinc/65/36/56/1258653656.db2.gz FZGFQQRNYNLPRN-OAGGEKHMSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135317 1258653660 /nfs/dbraw/zinc/65/36/60/1258653660.db2.gz FZGFQQRNYNLPRN-OAGGEKHMSA-N 2 2 357.462 0.660 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)no1 ZINC001088140342 1258654390 /nfs/dbraw/zinc/65/43/90/1258654390.db2.gz GZKDLTBJYKXEIU-SJORKVTESA-N 2 2 362.474 0.986 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)no1 ZINC001088140342 1258654399 /nfs/dbraw/zinc/65/43/99/1258654399.db2.gz GZKDLTBJYKXEIU-SJORKVTESA-N 2 2 362.474 0.986 20 0 FCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)cn1 ZINC001088171049 1258689384 /nfs/dbraw/zinc/68/93/84/1258689384.db2.gz VHBLYGGDNDXOEW-SJORKVTESA-N 2 2 356.474 0.719 20 0 FCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)cn1 ZINC001088171049 1258689390 /nfs/dbraw/zinc/68/93/90/1258689390.db2.gz VHBLYGGDNDXOEW-SJORKVTESA-N 2 2 356.474 0.719 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088200954 1258722440 /nfs/dbraw/zinc/72/24/40/1258722440.db2.gz DAPXRBJVEDHMBE-CABCVRRESA-N 2 2 363.462 0.592 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088200954 1258722446 /nfs/dbraw/zinc/72/24/46/1258722446.db2.gz DAPXRBJVEDHMBE-CABCVRRESA-N 2 2 363.462 0.592 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088202222 1258725004 /nfs/dbraw/zinc/72/50/04/1258725004.db2.gz PWFWCHWJWCZSSO-IMJJTQAJSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088202222 1258725008 /nfs/dbraw/zinc/72/50/08/1258725008.db2.gz PWFWCHWJWCZSSO-IMJJTQAJSA-N 2 2 357.462 0.862 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211314 1258734566 /nfs/dbraw/zinc/73/45/66/1258734566.db2.gz CVJRXSKSCQMLKL-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211314 1258734569 /nfs/dbraw/zinc/73/45/69/1258734569.db2.gz CVJRXSKSCQMLKL-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211314 1258734574 /nfs/dbraw/zinc/73/45/74/1258734574.db2.gz CVJRXSKSCQMLKL-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211314 1258734577 /nfs/dbraw/zinc/73/45/77/1258734577.db2.gz CVJRXSKSCQMLKL-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088220014 1258741798 /nfs/dbraw/zinc/74/17/98/1258741798.db2.gz HTVPGJGDLIONTC-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088220014 1258741803 /nfs/dbraw/zinc/74/18/03/1258741803.db2.gz HTVPGJGDLIONTC-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001088749738 1258757817 /nfs/dbraw/zinc/75/78/17/1258757817.db2.gz MAWCDGKATGSZLM-ZBFHGGJFSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001088749738 1258757821 /nfs/dbraw/zinc/75/78/21/1258757821.db2.gz MAWCDGKATGSZLM-ZBFHGGJFSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092748803 1258828026 /nfs/dbraw/zinc/82/80/26/1258828026.db2.gz MAYDZOFBPTVQGK-VNQPRFMTSA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092748803 1258828030 /nfs/dbraw/zinc/82/80/30/1258828030.db2.gz MAYDZOFBPTVQGK-VNQPRFMTSA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092748803 1258828035 /nfs/dbraw/zinc/82/80/35/1258828035.db2.gz MAYDZOFBPTVQGK-VNQPRFMTSA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092748803 1258828039 /nfs/dbraw/zinc/82/80/39/1258828039.db2.gz MAYDZOFBPTVQGK-VNQPRFMTSA-N 2 2 371.489 0.799 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001092758413 1258829099 /nfs/dbraw/zinc/82/90/99/1258829099.db2.gz UXISODUAQXLOOS-OAGGEKHMSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001092758413 1258829110 /nfs/dbraw/zinc/82/91/10/1258829110.db2.gz UXISODUAQXLOOS-OAGGEKHMSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001092758413 1258829118 /nfs/dbraw/zinc/82/91/18/1258829118.db2.gz UXISODUAQXLOOS-OAGGEKHMSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001092758413 1258829124 /nfs/dbraw/zinc/82/91/24/1258829124.db2.gz UXISODUAQXLOOS-OAGGEKHMSA-N 2 2 363.510 0.515 20 0 FCADLP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419018 1258911409 /nfs/dbraw/zinc/91/14/09/1258911409.db2.gz MIXMUFZDKTYRQV-NEXFUWMNSA-N 2 2 363.462 0.150 20 0 FCADLP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419018 1258911413 /nfs/dbraw/zinc/91/14/13/1258911413.db2.gz MIXMUFZDKTYRQV-NEXFUWMNSA-N 2 2 363.462 0.150 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104440565 1258918625 /nfs/dbraw/zinc/91/86/25/1258918625.db2.gz MANKIYCWDJKHFG-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001106704747 1258943262 /nfs/dbraw/zinc/94/32/62/1258943262.db2.gz BFEBSIDKKRACTG-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106704909 1258943697 /nfs/dbraw/zinc/94/36/97/1258943697.db2.gz IHVXVYLDBWKHNM-ZIAGYGMSSA-N 2 2 364.494 0.734 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106748115 1258953167 /nfs/dbraw/zinc/95/31/67/1258953167.db2.gz KHJQEAXOTSBINX-SQWLQELKSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106748115 1258953175 /nfs/dbraw/zinc/95/31/75/1258953175.db2.gz KHJQEAXOTSBINX-SQWLQELKSA-N 2 2 361.490 0.799 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106804490 1258966499 /nfs/dbraw/zinc/96/64/99/1258966499.db2.gz WOANKKKMQIEKCP-RBSFLKMASA-N 2 2 365.478 0.178 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869430 1258982805 /nfs/dbraw/zinc/98/28/05/1258982805.db2.gz DSYXHPCXFFFNOS-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC001106874713 1258985600 /nfs/dbraw/zinc/98/56/00/1258985600.db2.gz QMPYRLDSXLTOAW-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922561 1258996793 /nfs/dbraw/zinc/99/67/93/1258996793.db2.gz HSGOSNLIGUXDLQ-UKRRQHHQSA-N 2 2 365.478 0.097 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C)c1nnnn1C ZINC001107075973 1259027922 /nfs/dbraw/zinc/02/79/22/1259027922.db2.gz FLXPOSNHKSQPTI-RBSFLKMASA-N 2 2 360.466 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001107075999 1259028920 /nfs/dbraw/zinc/02/89/20/1259028920.db2.gz HGOJSZBTPWZXLQ-HZPDHXFCSA-N 2 2 362.478 0.373 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439144 1259088275 /nfs/dbraw/zinc/08/82/75/1259088275.db2.gz SRPMHSPRGHWQPR-QGPMSJSTSA-N 2 2 361.494 0.411 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439144 1259088282 /nfs/dbraw/zinc/08/82/82/1259088282.db2.gz SRPMHSPRGHWQPR-QGPMSJSTSA-N 2 2 361.494 0.411 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491777 1259101905 /nfs/dbraw/zinc/10/19/05/1259101905.db2.gz MIAIEZGDBMNCNJ-SJLPKXTDSA-N 2 2 357.462 0.963 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491777 1259101909 /nfs/dbraw/zinc/10/19/09/1259101909.db2.gz MIAIEZGDBMNCNJ-SJLPKXTDSA-N 2 2 357.462 0.963 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107562224 1259118058 /nfs/dbraw/zinc/11/80/58/1259118058.db2.gz ZLZGTPOODRMGKS-CRAIPNDOSA-N 2 2 360.462 0.338 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107562224 1259118072 /nfs/dbraw/zinc/11/80/72/1259118072.db2.gz ZLZGTPOODRMGKS-CRAIPNDOSA-N 2 2 360.462 0.338 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610219 1259133243 /nfs/dbraw/zinc/13/32/43/1259133243.db2.gz SSKINEFQQJEONY-VQIMIIECSA-N 2 2 361.490 0.850 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610219 1259133244 /nfs/dbraw/zinc/13/32/44/1259133244.db2.gz SSKINEFQQJEONY-VQIMIIECSA-N 2 2 361.490 0.850 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001107634380 1259139397 /nfs/dbraw/zinc/13/93/97/1259139397.db2.gz WOESSNFLNXTYOX-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001107634380 1259139401 /nfs/dbraw/zinc/13/94/01/1259139401.db2.gz WOESSNFLNXTYOX-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCN3CCCC3=O)CCO2)CC[N@@H+]1C ZINC001107952462 1259146126 /nfs/dbraw/zinc/14/61/26/1259146126.db2.gz CTBCEQJSXBQZTR-MDZRGWNJSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[NH+](CCN3CCCC3=O)CCO2)CC[N@H+]1C ZINC001107952462 1259146132 /nfs/dbraw/zinc/14/61/32/1259146132.db2.gz CTBCEQJSXBQZTR-MDZRGWNJSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001107952462 1259146136 /nfs/dbraw/zinc/14/61/36/1259146136.db2.gz CTBCEQJSXBQZTR-MDZRGWNJSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001107952462 1259146138 /nfs/dbraw/zinc/14/61/38/1259146138.db2.gz CTBCEQJSXBQZTR-MDZRGWNJSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(Cc3c[nH+]cn3C)CCO2)CC[N@@H+]1C ZINC001107953184 1259147603 /nfs/dbraw/zinc/14/76/03/1259147603.db2.gz UDONNJRZXDNJOQ-YQVWRLOYSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)CN(Cc3c[nH+]cn3C)CCO2)CC[N@H+]1C ZINC001107953184 1259147606 /nfs/dbraw/zinc/14/76/06/1259147606.db2.gz UDONNJRZXDNJOQ-YQVWRLOYSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112543190 1259165178 /nfs/dbraw/zinc/16/51/78/1259165178.db2.gz NIYZEIZDLKEMLL-BXWFABGCSA-N 2 2 364.490 0.816 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112543190 1259165187 /nfs/dbraw/zinc/16/51/87/1259165187.db2.gz NIYZEIZDLKEMLL-BXWFABGCSA-N 2 2 364.490 0.816 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001127547525 1259178646 /nfs/dbraw/zinc/17/86/46/1259178646.db2.gz MJWHJESTAAHFTO-HZPDHXFCSA-N 2 2 359.474 0.482 20 0 FCADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547770 1259179009 /nfs/dbraw/zinc/17/90/09/1259179009.db2.gz SZIMIGQVEPHABB-OWCLPIDISA-N 2 2 361.490 0.774 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043464 1259298086 /nfs/dbraw/zinc/29/80/86/1259298086.db2.gz PQDRUAZUSVXHAM-SQNIBIBYSA-N 2 2 369.473 0.555 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043464 1259298092 /nfs/dbraw/zinc/29/80/92/1259298092.db2.gz PQDRUAZUSVXHAM-SQNIBIBYSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139650 1259327583 /nfs/dbraw/zinc/32/75/83/1259327583.db2.gz QVDXTUPZKWGVEB-OAGGEKHMSA-N 2 2 361.450 0.067 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139650 1259327590 /nfs/dbraw/zinc/32/75/90/1259327590.db2.gz QVDXTUPZKWGVEB-OAGGEKHMSA-N 2 2 361.450 0.067 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129253562 1259355900 /nfs/dbraw/zinc/35/59/00/1259355900.db2.gz ZTDPNTMVIKQNRC-FGTMMUONSA-N 2 2 371.489 0.801 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129253562 1259355903 /nfs/dbraw/zinc/35/59/03/1259355903.db2.gz ZTDPNTMVIKQNRC-FGTMMUONSA-N 2 2 371.489 0.801 20 0 FCADLP CCOC(=O)[C@]12CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@H]1C[NH2+]CC2 ZINC001154680591 1259383346 /nfs/dbraw/zinc/38/33/46/1259383346.db2.gz HLKPLICBODOIRZ-RDTXWAMCSA-N 2 2 361.446 0.292 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680483 1259427823 /nfs/dbraw/zinc/42/78/23/1259427823.db2.gz ZEOGIPJNSITTKA-DLBZAZTESA-N 2 2 355.442 0.673 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001212401073 1259490232 /nfs/dbraw/zinc/49/02/32/1259490232.db2.gz DJQNYMQLCXEUJH-GVDBMIGSSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001212401073 1259490237 /nfs/dbraw/zinc/49/02/37/1259490237.db2.gz DJQNYMQLCXEUJH-GVDBMIGSSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001212401073 1259490247 /nfs/dbraw/zinc/49/02/47/1259490247.db2.gz DJQNYMQLCXEUJH-GVDBMIGSSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001212401073 1259490254 /nfs/dbraw/zinc/49/02/54/1259490254.db2.gz DJQNYMQLCXEUJH-GVDBMIGSSA-N 2 2 368.522 0.304 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001212410258 1259494625 /nfs/dbraw/zinc/49/46/25/1259494625.db2.gz PNFKRJGBYMRCNS-JFIYKMOQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001212410258 1259494630 /nfs/dbraw/zinc/49/46/30/1259494630.db2.gz PNFKRJGBYMRCNS-JFIYKMOQSA-N 2 2 362.474 0.746 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418163 1259496536 /nfs/dbraw/zinc/49/65/36/1259496536.db2.gz BYQMKRYWEGHLEV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418163 1259496544 /nfs/dbraw/zinc/49/65/44/1259496544.db2.gz BYQMKRYWEGHLEV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418163 1259496554 /nfs/dbraw/zinc/49/65/54/1259496554.db2.gz BYQMKRYWEGHLEV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418163 1259496560 /nfs/dbraw/zinc/49/65/60/1259496560.db2.gz BYQMKRYWEGHLEV-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212436698 1259506022 /nfs/dbraw/zinc/50/60/22/1259506022.db2.gz FRVONKTXOYOOBB-NUJGCVRESA-N 2 2 364.490 0.992 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212436698 1259506024 /nfs/dbraw/zinc/50/60/24/1259506024.db2.gz FRVONKTXOYOOBB-NUJGCVRESA-N 2 2 364.490 0.992 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436838 1259506261 /nfs/dbraw/zinc/50/62/61/1259506261.db2.gz MJVNVUXSFWYPCK-NUJGCVRESA-N 2 2 368.522 0.256 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436838 1259506266 /nfs/dbraw/zinc/50/62/66/1259506266.db2.gz MJVNVUXSFWYPCK-NUJGCVRESA-N 2 2 368.522 0.256 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)c1 ZINC001212436645 1259506276 /nfs/dbraw/zinc/50/62/76/1259506276.db2.gz BEPGPXHCBOKABL-KURKYZTESA-N 2 2 364.490 0.992 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)c1 ZINC001212436645 1259506280 /nfs/dbraw/zinc/50/62/80/1259506280.db2.gz BEPGPXHCBOKABL-KURKYZTESA-N 2 2 364.490 0.992 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCN1 ZINC001235439972 1259572395 /nfs/dbraw/zinc/57/23/95/1259572395.db2.gz AXRVWBQMQQAZHP-INIZCTEOSA-N 2 2 358.446 0.143 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCN1 ZINC001235439972 1259572402 /nfs/dbraw/zinc/57/24/02/1259572402.db2.gz AXRVWBQMQQAZHP-INIZCTEOSA-N 2 2 358.446 0.143 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001236281153 1259589272 /nfs/dbraw/zinc/58/92/72/1259589272.db2.gz ZHOIGXZRBKQLDX-SFHVURJKSA-N 2 2 358.446 0.273 20 0 FCADLP COC(=O)[C@]1(N)CC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001236281153 1259589278 /nfs/dbraw/zinc/58/92/78/1259589278.db2.gz ZHOIGXZRBKQLDX-SFHVURJKSA-N 2 2 358.446 0.273 20 0 FCADLP COC(=O)[C@]1(N)CC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001236281153 1259589282 /nfs/dbraw/zinc/58/92/82/1259589282.db2.gz ZHOIGXZRBKQLDX-SFHVURJKSA-N 2 2 358.446 0.273 20 0 FCADLP C[NH+]1CCN(c2nccc(-c3cnn(CC[NH+]4CCOCC4)c3)n2)CC1 ZINC001240540791 1259627706 /nfs/dbraw/zinc/62/77/06/1259627706.db2.gz BROGHHRCMFQMLS-UHFFFAOYSA-N 2 2 357.462 0.424 20 0 FCADLP COC(=O)[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC1 ZINC001246049974 1259644934 /nfs/dbraw/zinc/64/49/34/1259644934.db2.gz UJADGHZKKKVLMR-BBWFWOEESA-N 3 2 371.428 0.408 20 0 FCADLP O[C@H](C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246062134 1259646109 /nfs/dbraw/zinc/64/61/09/1259646109.db2.gz BXMZKLLSYLTIDL-SFHVURJKSA-N 3 2 359.514 0.989 20 0 FCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)C[C@H](C1)[NH2+]2 ZINC001246668266 1259659406 /nfs/dbraw/zinc/65/94/06/1259659406.db2.gz MYBSQZKCMRBTKO-SANTULGFSA-N 3 2 367.490 0.140 20 0 FCADLP COC(=O)C1C[C@@H]2CC([N@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)C[C@H](C1)[NH2+]2 ZINC001246668266 1259659416 /nfs/dbraw/zinc/65/94/16/1259659416.db2.gz MYBSQZKCMRBTKO-SANTULGFSA-N 3 2 367.490 0.140 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246701401 1259663753 /nfs/dbraw/zinc/66/37/53/1259663753.db2.gz CNSLNNOYKCPCGO-SCGCMHLBSA-N 2 2 364.421 0.452 20 0 FCADLP O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246720189 1259669138 /nfs/dbraw/zinc/66/91/38/1259669138.db2.gz HUQVTMRRCDXFDU-UYAOXDASSA-N 2 2 358.486 0.973 20 0 FCADLP O=C(NCCc1ccccn1)[C@@]12CCO[C@@H]1CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246720189 1259669143 /nfs/dbraw/zinc/66/91/43/1259669143.db2.gz HUQVTMRRCDXFDU-UYAOXDASSA-N 2 2 358.486 0.973 20 0 FCADLP O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739868 1259674690 /nfs/dbraw/zinc/67/46/90/1259674690.db2.gz UFLPNVJWFDORHI-ATUPJUKWSA-N 2 2 371.485 0.969 20 0 FCADLP O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739868 1259674698 /nfs/dbraw/zinc/67/46/98/1259674698.db2.gz UFLPNVJWFDORHI-ATUPJUKWSA-N 2 2 371.485 0.969 20 0 FCADLP C[NH+]1CCN(c2ccccc2CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC001335484277 1259680503 /nfs/dbraw/zinc/68/05/03/1259680503.db2.gz NMDOILCWSAWUJG-DAXSKMNVSA-N 2 2 358.486 0.943 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C[NH2+]1 ZINC001246770171 1259687089 /nfs/dbraw/zinc/68/70/89/1259687089.db2.gz UHGMUUDZNGGRPG-WXQHOCMDSA-N 2 2 360.458 0.559 20 0 FCADLP C[C@@H]1C[C@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC[NH2+]1 ZINC001246782034 1259688132 /nfs/dbraw/zinc/68/81/32/1259688132.db2.gz SVNVTUQNBJPVKE-GDBMZVCRSA-N 2 2 371.489 0.545 20 0 FCADLP CN(C)c1cccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247331779 1259698903 /nfs/dbraw/zinc/69/89/03/1259698903.db2.gz GVAWMFFDZCHSDI-AWEZNQCLSA-N 2 2 355.402 0.712 20 0 FCADLP COc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cc1F ZINC001247335340 1259701409 /nfs/dbraw/zinc/70/14/09/1259701409.db2.gz XHOHYQNQIUGQDK-LBPRGKRZSA-N 2 2 360.349 0.794 20 0 FCADLP COCc1cccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247335910 1259701520 /nfs/dbraw/zinc/70/15/20/1259701520.db2.gz UKDGMGGPCZPIDU-AWEZNQCLSA-N 2 2 356.386 0.792 20 0 FCADLP COc1cnc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c(OC)c1 ZINC001247334484 1259702066 /nfs/dbraw/zinc/70/20/66/1259702066.db2.gz LZLBFPHUIKXPLJ-NSHDSACASA-N 2 2 373.373 0.058 20 0 FCADLP [NH3+]CCN1CCN(Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)CC1 ZINC001248203099 1259709550 /nfs/dbraw/zinc/70/95/50/1259709550.db2.gz KPSPCFMTDNNYIG-UHFFFAOYSA-N 2 2 353.430 0.999 20 0 FCADLP O[C@H](CN1CCn2cc(C[NH+]3CCCCC3)nc2C1)C[NH+]1CCOCC1 ZINC001251018364 1259730701 /nfs/dbraw/zinc/73/07/01/1259730701.db2.gz YBFULJKUROUEKB-SFHVURJKSA-N 2 2 363.506 0.378 20 0 FCADLP COc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251021837 1259733254 /nfs/dbraw/zinc/73/32/54/1259733254.db2.gz AKMULSUTLQLZKL-QGZVFWFLSA-N 2 2 364.490 0.552 20 0 FCADLP CC(C)(C)OC(=O)N1CCC(C(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251036314 1259734621 /nfs/dbraw/zinc/73/46/21/1259734621.db2.gz GCCAYUFVKOLUCC-OAHLLOKOSA-N 2 2 370.494 0.893 20 0 FCADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001252419461 1259785161 /nfs/dbraw/zinc/78/51/61/1259785161.db2.gz ZDGFXJURAMMHLL-OWSLCNJRSA-N 2 2 362.474 0.592 20 0 FCADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001252419461 1259785166 /nfs/dbraw/zinc/78/51/66/1259785166.db2.gz ZDGFXJURAMMHLL-OWSLCNJRSA-N 2 2 362.474 0.592 20 0 FCADLP COC(=O)[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001252419461 1259785172 /nfs/dbraw/zinc/78/51/72/1259785172.db2.gz ZDGFXJURAMMHLL-OWSLCNJRSA-N 2 2 362.474 0.592 20 0 FCADLP COC(=O)[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001252419461 1259785178 /nfs/dbraw/zinc/78/51/78/1259785178.db2.gz ZDGFXJURAMMHLL-OWSLCNJRSA-N 2 2 362.474 0.592 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001252502862 1259793391 /nfs/dbraw/zinc/79/33/91/1259793391.db2.gz FBSRKIOLIXEOGF-KRWDZBQOSA-N 2 2 362.478 0.917 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001252502862 1259793397 /nfs/dbraw/zinc/79/33/97/1259793397.db2.gz FBSRKIOLIXEOGF-KRWDZBQOSA-N 2 2 362.478 0.917 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001253185766 1259829472 /nfs/dbraw/zinc/82/94/72/1259829472.db2.gz TVJUNGNLRRGOCK-ZHALLVOQSA-N 2 2 371.522 0.417 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001253185766 1259829481 /nfs/dbraw/zinc/82/94/81/1259829481.db2.gz TVJUNGNLRRGOCK-ZHALLVOQSA-N 2 2 371.522 0.417 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790557 1259841158 /nfs/dbraw/zinc/84/11/58/1259841158.db2.gz KKBXPWBURGMCBK-KRWDZBQOSA-N 2 2 362.478 0.398 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790557 1259841168 /nfs/dbraw/zinc/84/11/68/1259841168.db2.gz KKBXPWBURGMCBK-KRWDZBQOSA-N 2 2 362.478 0.398 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC001253455938 1259841252 /nfs/dbraw/zinc/84/12/52/1259841252.db2.gz YFULUCSLWFXRIW-ZDUSSCGKSA-N 2 2 368.478 0.500 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](C[C@H](O)COC(C)(C)C)CC2 ZINC001253455938 1259841259 /nfs/dbraw/zinc/84/12/59/1259841259.db2.gz YFULUCSLWFXRIW-ZDUSSCGKSA-N 2 2 368.478 0.500 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383641 1259880137 /nfs/dbraw/zinc/88/01/37/1259880137.db2.gz VMXOBMMROYWLTD-GJZGRUSLSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383641 1259880143 /nfs/dbraw/zinc/88/01/43/1259880143.db2.gz VMXOBMMROYWLTD-GJZGRUSLSA-N 2 2 363.506 0.465 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518149 1259887474 /nfs/dbraw/zinc/88/74/74/1259887474.db2.gz KQCCIZNIBLVUDJ-MRXNPFEDSA-N 2 2 374.533 0.650 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518149 1259887485 /nfs/dbraw/zinc/88/74/85/1259887485.db2.gz KQCCIZNIBLVUDJ-MRXNPFEDSA-N 2 2 374.533 0.650 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254518147 1259887761 /nfs/dbraw/zinc/88/77/61/1259887761.db2.gz KQCCIZNIBLVUDJ-INIZCTEOSA-N 2 2 374.533 0.650 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H]1CCC[N@@H+](C)CC1)CC2 ZINC001254518147 1259887766 /nfs/dbraw/zinc/88/77/66/1259887766.db2.gz KQCCIZNIBLVUDJ-INIZCTEOSA-N 2 2 374.533 0.650 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523397 1259890700 /nfs/dbraw/zinc/89/07/00/1259890700.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523397 1259890710 /nfs/dbraw/zinc/89/07/10/1259890710.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254523397 1259890719 /nfs/dbraw/zinc/89/07/19/1259890719.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254523397 1259890728 /nfs/dbraw/zinc/89/07/28/1259890728.db2.gz SRIMMIZSPXCFRU-SFHVURJKSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254859279 1259897739 /nfs/dbraw/zinc/89/77/39/1259897739.db2.gz LBQABNLPONDXRR-GOSISDBHSA-N 2 2 372.513 0.821 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254859279 1259897748 /nfs/dbraw/zinc/89/77/48/1259897748.db2.gz LBQABNLPONDXRR-GOSISDBHSA-N 2 2 372.513 0.821 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC1 ZINC001256205094 1259938385 /nfs/dbraw/zinc/93/83/85/1259938385.db2.gz PRHGWFPQSIRKRE-HNAYVOBHSA-N 2 2 359.474 0.924 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)CC1 ZINC001256205094 1259938391 /nfs/dbraw/zinc/93/83/91/1259938391.db2.gz PRHGWFPQSIRKRE-HNAYVOBHSA-N 2 2 359.474 0.924 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256694657 1259957541 /nfs/dbraw/zinc/95/75/41/1259957541.db2.gz BZPSSMRVUMODTQ-UHFFFAOYSA-N 3 2 366.550 0.580 20 0 FCADLP CCC1(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC001257569950 1260020968 /nfs/dbraw/zinc/02/09/68/1260020968.db2.gz WHVIZYUHYSYOPN-UHFFFAOYSA-N 2 2 350.507 0.968 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001257727367 1260027604 /nfs/dbraw/zinc/02/76/04/1260027604.db2.gz LMOFRRRNZKCEIO-XJNFMUPTSA-N 2 2 368.474 0.960 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001257727367 1260027612 /nfs/dbraw/zinc/02/76/12/1260027612.db2.gz LMOFRRRNZKCEIO-XJNFMUPTSA-N 2 2 368.474 0.960 20 0 FCADLP COC1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001336301720 1260072897 /nfs/dbraw/zinc/07/28/97/1260072897.db2.gz MCKNRCKSRCNFGN-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP COC1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001336301720 1260072906 /nfs/dbraw/zinc/07/29/06/1260072906.db2.gz MCKNRCKSRCNFGN-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP Cc1ccnc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001336693571 1260203722 /nfs/dbraw/zinc/20/37/22/1260203722.db2.gz SDGIKVFQSFVOGR-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccnc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001336693571 1260203731 /nfs/dbraw/zinc/20/37/31/1260203731.db2.gz SDGIKVFQSFVOGR-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@@H](O)c2ccccc2F)CN1CC[NH+]1CCOCC1 ZINC001336784340 1260222362 /nfs/dbraw/zinc/22/23/62/1260222362.db2.gz FUMOFIDGIYPWPG-WMLDXEAASA-N 2 2 351.422 0.382 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC001262034543 1260249416 /nfs/dbraw/zinc/24/94/16/1260249416.db2.gz HTOKEHZMXAVZHJ-ZDUSSCGKSA-N 2 2 362.478 0.411 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046303 1260249706 /nfs/dbraw/zinc/24/97/06/1260249706.db2.gz NHJQXIPETSROPE-MJGOQNOKSA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046303 1260249714 /nfs/dbraw/zinc/24/97/14/1260249714.db2.gz NHJQXIPETSROPE-MJGOQNOKSA-N 2 2 360.502 0.908 20 0 FCADLP CCN(C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC001262061267 1260254186 /nfs/dbraw/zinc/25/41/86/1260254186.db2.gz WAFPJSHGRCODRL-KRWDZBQOSA-N 2 2 355.442 0.758 20 0 FCADLP O=C1c2ccccc2C(=O)N1CCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001262276444 1260292948 /nfs/dbraw/zinc/29/29/48/1260292948.db2.gz FIIHKLXBGUZXBF-UHFFFAOYSA-N 2 2 369.425 0.845 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001262365678 1260308911 /nfs/dbraw/zinc/30/89/11/1260308911.db2.gz JCQBOGWTZQHEIX-BRWVUGGUSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001262365678 1260308920 /nfs/dbraw/zinc/30/89/20/1260308920.db2.gz JCQBOGWTZQHEIX-BRWVUGGUSA-N 2 2 359.474 0.901 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142024 1260321181 /nfs/dbraw/zinc/32/11/81/1260321181.db2.gz KNUHGKHGSSBVDH-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142024 1260321188 /nfs/dbraw/zinc/32/11/88/1260321188.db2.gz KNUHGKHGSSBVDH-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001263067296 1260338843 /nfs/dbraw/zinc/33/88/43/1260338843.db2.gz JMKMFMRISUNMKR-SFHVURJKSA-N 2 2 359.470 0.904 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NCC[NH+]1CCc2ccccc2C1 ZINC001263750187 1260356086 /nfs/dbraw/zinc/35/60/86/1260356086.db2.gz UMMKYXGOFYISOS-UHFFFAOYSA-N 2 2 374.485 0.793 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)NCC[NH+]1CCc2ccccc2C1 ZINC001263750187 1260356094 /nfs/dbraw/zinc/35/60/94/1260356094.db2.gz UMMKYXGOFYISOS-UHFFFAOYSA-N 2 2 374.485 0.793 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)NCC[N@@H+]1CCc2ccccc2C1 ZINC001263750187 1260356099 /nfs/dbraw/zinc/35/60/99/1260356099.db2.gz UMMKYXGOFYISOS-UHFFFAOYSA-N 2 2 374.485 0.793 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)NCC[N@H+]1CCc2ccccc2C1 ZINC001263750187 1260356108 /nfs/dbraw/zinc/35/61/08/1260356108.db2.gz UMMKYXGOFYISOS-UHFFFAOYSA-N 2 2 374.485 0.793 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCc5[nH+]ccn5C4)CC3)[C@H]2C1 ZINC001272619535 1260462452 /nfs/dbraw/zinc/46/24/52/1260462452.db2.gz ZEDGRMSJJQJFHC-KKUMJFAQSA-N 2 2 357.458 0.114 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCc5[nH+]ccn5C4)CC3)[C@H]2C1 ZINC001272619535 1260462455 /nfs/dbraw/zinc/46/24/55/1260462455.db2.gz ZEDGRMSJJQJFHC-KKUMJFAQSA-N 2 2 357.458 0.114 20 0 FCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272618787 1260462809 /nfs/dbraw/zinc/46/28/09/1260462809.db2.gz SUMXUYKWGQGFHN-HNSVSWJLSA-N 2 2 359.474 0.645 20 0 FCADLP C[NH+]1CCC(NC(=O)c2[nH]nc3c2CN(C(=O)Cc2c[nH+]c[nH]2)C3)CC1 ZINC001272972512 1260545345 /nfs/dbraw/zinc/54/53/45/1260545345.db2.gz ZZGPCPNOQFYZPS-UHFFFAOYSA-N 2 2 357.418 0.042 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273210329 1260623649 /nfs/dbraw/zinc/62/36/49/1260623649.db2.gz MBNBWKKJAJRLLD-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273210329 1260623658 /nfs/dbraw/zinc/62/36/58/1260623658.db2.gz MBNBWKKJAJRLLD-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001273210329 1260623664 /nfs/dbraw/zinc/62/36/64/1260623664.db2.gz MBNBWKKJAJRLLD-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001273210329 1260623670 /nfs/dbraw/zinc/62/36/70/1260623670.db2.gz MBNBWKKJAJRLLD-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273218923 1260627853 /nfs/dbraw/zinc/62/78/53/1260627853.db2.gz ZHFHOOLPQFXCFZ-HMQMGEFJSA-N 2 2 361.490 0.845 20 0 FCADLP CCn1ccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273218923 1260627857 /nfs/dbraw/zinc/62/78/57/1260627857.db2.gz ZHFHOOLPQFXCFZ-HMQMGEFJSA-N 2 2 361.490 0.845 20 0 FCADLP CC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273249448 1260635282 /nfs/dbraw/zinc/63/52/82/1260635282.db2.gz VYCZODAUWJHEHO-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP CC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273249448 1260635285 /nfs/dbraw/zinc/63/52/85/1260635285.db2.gz VYCZODAUWJHEHO-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP Cc1c[nH+]c(N2CC3(C2)COCC(=O)N3CC[NH+](C)C)nc1NC(C)C ZINC001277922407 1260677564 /nfs/dbraw/zinc/67/75/64/1260677564.db2.gz WAMZIUZSBCJLGL-UHFFFAOYSA-N 2 2 362.478 0.585 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc(O)c1OC ZINC001278749925 1260724719 /nfs/dbraw/zinc/72/47/19/1260724719.db2.gz RSBFKZBGDVZTEO-QAPCUYQASA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc(O)c1OC ZINC001278749925 1260724724 /nfs/dbraw/zinc/72/47/24/1260724724.db2.gz RSBFKZBGDVZTEO-QAPCUYQASA-N 2 2 365.474 0.856 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@H+](Cc4c[nH]c5nccnc45)C[C@@H]32)c[nH+]1 ZINC001278853294 1260742365 /nfs/dbraw/zinc/74/23/65/1260742365.db2.gz RYIKVZCWRHZMJE-HOTGVXAUSA-N 2 2 353.430 0.691 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](Cc4c[nH]c5nccnc45)C[C@@H]32)c[nH+]1 ZINC001278853294 1260742369 /nfs/dbraw/zinc/74/23/69/1260742369.db2.gz RYIKVZCWRHZMJE-HOTGVXAUSA-N 2 2 353.430 0.691 20 0 FCADLP CN(C)C(=O)C12CC(NC(=O)c3c[nH+]ccc3N3CC[NH+](C)CC3)(C1)C2 ZINC001279622794 1260902866 /nfs/dbraw/zinc/90/28/66/1260902866.db2.gz LNGFDQQHIZXWIU-UHFFFAOYSA-N 2 2 357.458 0.574 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001280169322 1261018678 /nfs/dbraw/zinc/01/86/78/1261018678.db2.gz AJNZTATWLLOGLX-KRWDZBQOSA-N 2 2 362.518 0.873 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259729 1261042763 /nfs/dbraw/zinc/04/27/63/1261042763.db2.gz ZSZSGOYHVANFDP-CWRNSKLLSA-N 2 2 364.465 0.975 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259729 1261042772 /nfs/dbraw/zinc/04/27/72/1261042772.db2.gz ZSZSGOYHVANFDP-CWRNSKLLSA-N 2 2 364.465 0.975 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259729 1261042776 /nfs/dbraw/zinc/04/27/76/1261042776.db2.gz ZSZSGOYHVANFDP-CWRNSKLLSA-N 2 2 364.465 0.975 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259729 1261042780 /nfs/dbraw/zinc/04/27/80/1261042780.db2.gz ZSZSGOYHVANFDP-CWRNSKLLSA-N 2 2 364.465 0.975 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258846 1261043892 /nfs/dbraw/zinc/04/38/92/1261043892.db2.gz OMLRYFJMEYMBPV-DOTOQJQBSA-N 2 2 361.490 0.706 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258846 1261043899 /nfs/dbraw/zinc/04/38/99/1261043899.db2.gz OMLRYFJMEYMBPV-DOTOQJQBSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1c[nH+]cc1CN1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280290901 1261049251 /nfs/dbraw/zinc/04/92/51/1261049251.db2.gz GTDQQVJVWOWNMZ-UHFFFAOYSA-N 2 2 358.446 0.790 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001580290529 1278096409 /nfs/dbraw/zinc/09/64/09/1278096409.db2.gz JUKNZXJMWUPZOP-NWDGAFQWSA-N 2 2 367.417 0.059 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001285238099 1261824273 /nfs/dbraw/zinc/82/42/73/1261824273.db2.gz LZOHDSOFJJXEEU-RBSFLKMASA-N 2 2 361.490 0.734 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1OC ZINC001289520574 1262236887 /nfs/dbraw/zinc/23/68/87/1262236887.db2.gz WXGZSVMMACRXQT-HZPDHXFCSA-N 2 2 365.478 0.335 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1OC ZINC001289520574 1262236893 /nfs/dbraw/zinc/23/68/93/1262236893.db2.gz WXGZSVMMACRXQT-HZPDHXFCSA-N 2 2 365.478 0.335 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC001478850733 1263148442 /nfs/dbraw/zinc/14/84/42/1263148442.db2.gz GZATVXOPFQFRNH-WKILWMFISA-N 2 2 367.538 0.946 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC001478850733 1263148445 /nfs/dbraw/zinc/14/84/45/1263148445.db2.gz GZATVXOPFQFRNH-WKILWMFISA-N 2 2 367.538 0.946 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001479511146 1263235371 /nfs/dbraw/zinc/23/53/71/1263235371.db2.gz OKPDNYBBICVNRE-YLQAJVPDSA-N 2 2 360.462 0.613 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001479579822 1263264130 /nfs/dbraw/zinc/26/41/30/1263264130.db2.gz BNCXDXFUOMVQBY-PBHICJAKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)CS(C)(=O)=O ZINC001480158024 1263425113 /nfs/dbraw/zinc/42/51/13/1263425113.db2.gz HXMXZLVDVAPJGX-BTFPBAQTSA-N 2 2 368.503 0.441 20 0 FCADLP C[C@@H](C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)CS(C)(=O)=O ZINC001483768799 1263445846 /nfs/dbraw/zinc/44/58/46/1263445846.db2.gz UVMFFUZROVJYEM-BFHYXJOUSA-N 2 2 368.503 0.443 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC001318993238 1263637610 /nfs/dbraw/zinc/63/76/10/1263637610.db2.gz AWAHGAFWFLUOPA-UHFFFAOYSA-N 2 2 362.478 0.342 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373504 1263685330 /nfs/dbraw/zinc/68/53/30/1263685330.db2.gz UEZKWNURLJIVHH-UONOGXRCSA-N 2 2 354.414 0.797 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373504 1263685335 /nfs/dbraw/zinc/68/53/35/1263685335.db2.gz UEZKWNURLJIVHH-UONOGXRCSA-N 2 2 354.414 0.797 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001320030057 1263756065 /nfs/dbraw/zinc/75/60/65/1263756065.db2.gz GKUWPYLLDOHAPP-SJORKVTESA-N 2 2 360.506 0.405 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001320030057 1263756070 /nfs/dbraw/zinc/75/60/70/1263756070.db2.gz GKUWPYLLDOHAPP-SJORKVTESA-N 2 2 360.506 0.405 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)no1 ZINC001320239873 1263776111 /nfs/dbraw/zinc/77/61/11/1263776111.db2.gz SKVGQDLUOVINDR-UHFFFAOYSA-N 2 2 358.446 0.813 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001320953310 1263885820 /nfs/dbraw/zinc/88/58/20/1263885820.db2.gz RWKYNHPRKBSNRW-UHFFFAOYSA-N 2 2 373.461 0.834 20 0 FCADLP Cc1n[nH]cc1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001322191512 1264163005 /nfs/dbraw/zinc/16/30/05/1264163005.db2.gz KOUYBPIWLDEWAK-UHFFFAOYSA-N 2 2 362.478 0.009 20 0 FCADLP COCC1=CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322993747 1264311530 /nfs/dbraw/zinc/31/15/30/1264311530.db2.gz OGUQFVARHLAJAT-MRXNPFEDSA-N 2 2 364.490 0.076 20 0 FCADLP COCC1=CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322993747 1264311542 /nfs/dbraw/zinc/31/15/42/1264311542.db2.gz OGUQFVARHLAJAT-MRXNPFEDSA-N 2 2 364.490 0.076 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001324905630 1264732476 /nfs/dbraw/zinc/73/24/76/1264732476.db2.gz FZNMPKJOANRVBL-INIZCTEOSA-N 2 2 357.458 0.427 20 0 FCADLP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001324905630 1264732483 /nfs/dbraw/zinc/73/24/83/1264732483.db2.gz FZNMPKJOANRVBL-INIZCTEOSA-N 2 2 357.458 0.427 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC001324907602 1264733899 /nfs/dbraw/zinc/73/38/99/1264733899.db2.gz SPRHKNCKBWJTST-IKGGRYGDSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC001324907602 1264733905 /nfs/dbraw/zinc/73/39/05/1264733905.db2.gz SPRHKNCKBWJTST-IKGGRYGDSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CCn1cc[nH+]c1 ZINC001580403021 1278232844 /nfs/dbraw/zinc/23/28/44/1278232844.db2.gz IYKRRRUCMWFNKG-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC001325352694 1264855931 /nfs/dbraw/zinc/85/59/31/1264855931.db2.gz RWSOMLLVKYKLFK-UHFFFAOYSA-N 2 2 373.457 0.958 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001513420451 1265112927 /nfs/dbraw/zinc/11/29/27/1265112927.db2.gz YNRZDAUKKPMVGD-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)NCCCn3cc[nH+]c3)C2)C1 ZINC001326549270 1265132025 /nfs/dbraw/zinc/13/20/25/1265132025.db2.gz IJBWQCRNHBSGRM-BZUAXINKSA-N 2 2 363.462 0.134 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC001326860297 1265186292 /nfs/dbraw/zinc/18/62/92/1265186292.db2.gz FFLAWQUMTCMHOU-KHYOSLBOSA-N 2 2 357.458 0.364 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001327324028 1265285859 /nfs/dbraw/zinc/28/58/59/1265285859.db2.gz LWKYMAROOCNKEG-XDNAFOTISA-N 2 2 367.538 0.550 20 0 FCADLP CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCn1cc[nH+]c1C ZINC001513933478 1265300531 /nfs/dbraw/zinc/30/05/31/1265300531.db2.gz FGJUMQCAMAIYEK-INIZCTEOSA-N 2 2 359.478 0.957 20 0 FCADLP CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCn1cc[nH+]c1C ZINC001513933478 1265300538 /nfs/dbraw/zinc/30/05/38/1265300538.db2.gz FGJUMQCAMAIYEK-INIZCTEOSA-N 2 2 359.478 0.957 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001327448041 1265325166 /nfs/dbraw/zinc/32/51/66/1265325166.db2.gz BHLQOMJDJMMYEI-BMFZPTHFSA-N 2 2 360.462 0.581 20 0 FCADLP CC(CN1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001327498242 1265341933 /nfs/dbraw/zinc/34/19/33/1265341933.db2.gz FHWUFSWRGUYDOM-WOJBJXKFSA-N 2 2 366.550 0.436 20 0 FCADLP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001332977020 1266514170 /nfs/dbraw/zinc/51/41/70/1266514170.db2.gz VPSXACJEJOUUQH-NEPJUHHUSA-N 2 2 370.404 0.297 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(c2nnnn2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001334017306 1266780866 /nfs/dbraw/zinc/78/08/66/1266780866.db2.gz PQFNXQSZPFWHNC-OAHLLOKOSA-N 2 2 351.499 0.751 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCn2c[nH+]cc2C1 ZINC001334098887 1266822954 /nfs/dbraw/zinc/82/29/54/1266822954.db2.gz LQIYTZSDBKHVFD-INIZCTEOSA-N 2 2 362.478 0.205 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CCn2c[nH+]cc2C1 ZINC001334098887 1266822968 /nfs/dbraw/zinc/82/29/68/1266822968.db2.gz LQIYTZSDBKHVFD-INIZCTEOSA-N 2 2 362.478 0.205 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401691 1266966613 /nfs/dbraw/zinc/96/66/13/1266966613.db2.gz SYZJNKLJQGRROE-DOTOQJQBSA-N 2 2 357.462 0.034 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401691 1266966618 /nfs/dbraw/zinc/96/66/18/1266966618.db2.gz SYZJNKLJQGRROE-DOTOQJQBSA-N 2 2 357.462 0.034 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001335141178 1267359207 /nfs/dbraw/zinc/35/92/07/1267359207.db2.gz IBRCJQCCZHMHTM-CGQZWFTASA-N 2 2 374.485 0.706 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001335141178 1267359219 /nfs/dbraw/zinc/35/92/19/1267359219.db2.gz IBRCJQCCZHMHTM-CGQZWFTASA-N 2 2 374.485 0.706 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC001548417102 1267700237 /nfs/dbraw/zinc/70/02/37/1267700237.db2.gz FWQXMABBFCNGKL-HZPDHXFCSA-N 2 2 351.495 0.463 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC001548417102 1267700240 /nfs/dbraw/zinc/70/02/40/1267700240.db2.gz FWQXMABBFCNGKL-HZPDHXFCSA-N 2 2 351.495 0.463 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@H](NC(=O)N2CCC[N@H+](C)CC2)CCC(=O)N1C1CC1 ZINC001548899318 1267767762 /nfs/dbraw/zinc/76/77/62/1267767762.db2.gz IZIPCGUERAVAMD-QAPCUYQASA-N 2 2 374.489 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@H](NC(=O)N2CCC[N@@H+](C)CC2)CCC(=O)N1C1CC1 ZINC001548899318 1267767767 /nfs/dbraw/zinc/76/77/67/1267767767.db2.gz IZIPCGUERAVAMD-QAPCUYQASA-N 2 2 374.489 0.962 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549152941 1267829640 /nfs/dbraw/zinc/82/96/40/1267829640.db2.gz HDJSJYAQKUEONA-JKIFEVAISA-N 2 2 362.478 0.913 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549152941 1267829646 /nfs/dbraw/zinc/82/96/46/1267829646.db2.gz HDJSJYAQKUEONA-JKIFEVAISA-N 2 2 362.478 0.913 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549158382 1267838037 /nfs/dbraw/zinc/83/80/37/1267838037.db2.gz JRHFTNYONXTAQQ-KEYYUXOJSA-N 2 2 362.478 0.769 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549158382 1267838050 /nfs/dbraw/zinc/83/80/50/1267838050.db2.gz JRHFTNYONXTAQQ-KEYYUXOJSA-N 2 2 362.478 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@@H+](C2CC2)C1 ZINC001549162825 1267844197 /nfs/dbraw/zinc/84/41/97/1267844197.db2.gz RPUVFUIWRCQQPN-DHSIGJKJSA-N 2 2 374.489 0.866 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@H+](C2CC2)C1 ZINC001549162825 1267844202 /nfs/dbraw/zinc/84/42/02/1267844202.db2.gz RPUVFUIWRCQQPN-DHSIGJKJSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC001549176670 1267854049 /nfs/dbraw/zinc/85/40/49/1267854049.db2.gz RYQMWWTXYFXFHU-QAPCUYQASA-N 2 2 370.457 0.740 20 0 FCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC001549239491 1267870963 /nfs/dbraw/zinc/87/09/63/1267870963.db2.gz VTOKENPDFYDYLQ-YJBOKZPZSA-N 2 2 374.489 0.818 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC001338356602 1267918625 /nfs/dbraw/zinc/91/86/25/1267918625.db2.gz VBFMJWVQKNNBIW-HZPDHXFCSA-N 2 2 361.490 0.850 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549737714 1267983533 /nfs/dbraw/zinc/98/35/33/1267983533.db2.gz LMXLEAAJBUFJCD-HNAYVOBHSA-N 2 2 359.474 0.525 20 0 FCADLP CO[C@@H]1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)N(C(C)=O)C1 ZINC001549879995 1268012868 /nfs/dbraw/zinc/01/28/68/1268012868.db2.gz IISJYGSXXLYIHJ-CVEARBPZSA-N 2 2 361.446 0.408 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC001550007690 1268047070 /nfs/dbraw/zinc/04/70/70/1268047070.db2.gz KWYYKOUWYRCEET-RBUKOAKNSA-N 2 2 366.550 0.972 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)nn1 ZINC001550238957 1268092812 /nfs/dbraw/zinc/09/28/12/1268092812.db2.gz WSEUJDHYZSIJIP-YSVLISHTSA-N 2 2 373.461 0.467 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550539942 1268129808 /nfs/dbraw/zinc/12/98/08/1268129808.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550539942 1268129814 /nfs/dbraw/zinc/12/98/14/1268129814.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550539942 1268129817 /nfs/dbraw/zinc/12/98/17/1268129817.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)CC[C@@H]3C2)C1 ZINC001550539942 1268129820 /nfs/dbraw/zinc/12/98/20/1268129820.db2.gz QNXUMHCPPDAAKO-KZNAEPCWSA-N 3 2 352.523 0.343 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[NH2+]C[C@@H](O)C3)C2)c1 ZINC001550764726 1268165656 /nfs/dbraw/zinc/16/56/56/1268165656.db2.gz UPSYTVJLTQAFDA-QZTJIDSGSA-N 2 2 362.474 0.172 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[NH2+]C[C@@H](O)C3)C2)c1 ZINC001550764726 1268165663 /nfs/dbraw/zinc/16/56/63/1268165663.db2.gz UPSYTVJLTQAFDA-QZTJIDSGSA-N 2 2 362.474 0.172 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+]C[C@H](O)C3)C2)c1 ZINC001550764730 1268165714 /nfs/dbraw/zinc/16/57/14/1268165714.db2.gz UPSYTVJLTQAFDA-ROUUACIJSA-N 2 2 362.474 0.172 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+]C[C@H](O)C3)C2)c1 ZINC001550764730 1268165717 /nfs/dbraw/zinc/16/57/17/1268165717.db2.gz UPSYTVJLTQAFDA-ROUUACIJSA-N 2 2 362.474 0.172 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@@H](C(F)F)n3cc[nH+]c3)CC2)C1=O ZINC001550791596 1268168900 /nfs/dbraw/zinc/16/89/00/1268168900.db2.gz YVZCDVYXIZFOED-KGLIPLIRSA-N 2 2 369.416 0.891 20 0 FCADLP CC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001339112203 1268170334 /nfs/dbraw/zinc/17/03/34/1268170334.db2.gz PRSKIYUDIZXQDT-INIZCTEOSA-N 2 2 351.495 0.465 20 0 FCADLP CC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001339112203 1268170339 /nfs/dbraw/zinc/17/03/39/1268170339.db2.gz PRSKIYUDIZXQDT-INIZCTEOSA-N 2 2 351.495 0.465 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C ZINC001339225644 1268190470 /nfs/dbraw/zinc/19/04/70/1268190470.db2.gz HDANSHXXVQQYFT-INIZCTEOSA-N 2 2 374.493 0.879 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C ZINC001339225644 1268190474 /nfs/dbraw/zinc/19/04/74/1268190474.db2.gz HDANSHXXVQQYFT-INIZCTEOSA-N 2 2 374.493 0.879 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C ZINC001339225644 1268190479 /nfs/dbraw/zinc/19/04/79/1268190479.db2.gz HDANSHXXVQQYFT-INIZCTEOSA-N 2 2 374.493 0.879 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C ZINC001339225644 1268190484 /nfs/dbraw/zinc/19/04/84/1268190484.db2.gz HDANSHXXVQQYFT-INIZCTEOSA-N 2 2 374.493 0.879 20 0 FCADLP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001339428345 1268236209 /nfs/dbraw/zinc/23/62/09/1268236209.db2.gz XVRAKRDPFDORHM-UONOGXRCSA-N 2 2 364.450 0.084 20 0 FCADLP C[C@H](CNC(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2)[NH+]1CCOCC1 ZINC001551565448 1268272899 /nfs/dbraw/zinc/27/28/99/1268272899.db2.gz OGWLKXSIYNMRMW-MRVWCRGKSA-N 2 2 350.385 0.548 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937518 1268312669 /nfs/dbraw/zinc/31/26/69/1268312669.db2.gz MEOLLCSJCREOBC-RRFJBIMHSA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937518 1268312684 /nfs/dbraw/zinc/31/26/84/1268312684.db2.gz MEOLLCSJCREOBC-RRFJBIMHSA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937518 1268312692 /nfs/dbraw/zinc/31/26/92/1268312692.db2.gz MEOLLCSJCREOBC-RRFJBIMHSA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937518 1268312704 /nfs/dbraw/zinc/31/27/04/1268312704.db2.gz MEOLLCSJCREOBC-RRFJBIMHSA-N 2 2 362.478 0.204 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001552078266 1268362805 /nfs/dbraw/zinc/36/28/05/1268362805.db2.gz UYCJAXOUPBOXLK-VVLHAWIVSA-N 2 2 352.479 0.306 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001552078266 1268362809 /nfs/dbraw/zinc/36/28/09/1268362809.db2.gz UYCJAXOUPBOXLK-VVLHAWIVSA-N 2 2 352.479 0.306 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nn1 ZINC001552166931 1268397425 /nfs/dbraw/zinc/39/74/25/1268397425.db2.gz DVOIZKZKLUDWDQ-XJKSGUPXSA-N 2 2 359.434 0.109 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nn1 ZINC001552166931 1268397437 /nfs/dbraw/zinc/39/74/37/1268397437.db2.gz DVOIZKZKLUDWDQ-XJKSGUPXSA-N 2 2 359.434 0.109 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC001552167470 1268400040 /nfs/dbraw/zinc/40/00/40/1268400040.db2.gz MUROSBFFFITUTQ-SNRMKQJTSA-N 3 2 374.533 0.316 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC001552167470 1268400053 /nfs/dbraw/zinc/40/00/53/1268400053.db2.gz MUROSBFFFITUTQ-SNRMKQJTSA-N 3 2 374.533 0.316 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552203546 1268409601 /nfs/dbraw/zinc/40/96/01/1268409601.db2.gz RFXRLFCEBVAAMQ-YLJYHZDGSA-N 2 2 372.469 0.525 20 0 FCADLP Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001340102710 1268435330 /nfs/dbraw/zinc/43/53/30/1268435330.db2.gz CSRKOJWTUAFPRV-INIZCTEOSA-N 2 2 361.538 0.841 20 0 FCADLP Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001340102710 1268435335 /nfs/dbraw/zinc/43/53/35/1268435335.db2.gz CSRKOJWTUAFPRV-INIZCTEOSA-N 2 2 361.538 0.841 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC001552437087 1268463623 /nfs/dbraw/zinc/46/36/23/1268463623.db2.gz MRWDXKVJWBIWTI-BZUAXINKSA-N 2 2 364.494 0.774 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580501678 1278411475 /nfs/dbraw/zinc/41/14/75/1278411475.db2.gz MLIQCXJLOWDWDZ-LBPRGKRZSA-N 2 2 368.445 0.983 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580502430 1278414361 /nfs/dbraw/zinc/41/43/61/1278414361.db2.gz WHTPDCJEFOIRBX-SNVBAGLBSA-N 2 2 372.408 0.874 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987007 1268573721 /nfs/dbraw/zinc/57/37/21/1268573721.db2.gz JIIOFRWJYASINL-CVEARBPZSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987007 1268573726 /nfs/dbraw/zinc/57/37/26/1268573726.db2.gz JIIOFRWJYASINL-CVEARBPZSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987007 1268573731 /nfs/dbraw/zinc/57/37/31/1268573731.db2.gz JIIOFRWJYASINL-CVEARBPZSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987007 1268573733 /nfs/dbraw/zinc/57/37/33/1268573733.db2.gz JIIOFRWJYASINL-CVEARBPZSA-N 2 2 363.506 0.789 20 0 FCADLP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995805 1268575109 /nfs/dbraw/zinc/57/51/09/1268575109.db2.gz LBELDLHZQRSCIE-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995805 1268575113 /nfs/dbraw/zinc/57/51/13/1268575113.db2.gz LBELDLHZQRSCIE-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995805 1268575117 /nfs/dbraw/zinc/57/51/17/1268575117.db2.gz LBELDLHZQRSCIE-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)[C@H]1C(C)C ZINC001552995805 1268575121 /nfs/dbraw/zinc/57/51/21/1268575121.db2.gz LBELDLHZQRSCIE-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP O=C([C@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC([NH2+]C2CCC2)CC1 ZINC001553170635 1268603802 /nfs/dbraw/zinc/60/38/02/1268603802.db2.gz OLZGHJYJUSOLNA-QZTJIDSGSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449589 1268651576 /nfs/dbraw/zinc/65/15/76/1268651576.db2.gz GQSYJAHYZJJDMA-RDJZCZTQSA-N 3 2 365.522 0.304 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449589 1268651583 /nfs/dbraw/zinc/65/15/83/1268651583.db2.gz GQSYJAHYZJJDMA-RDJZCZTQSA-N 3 2 365.522 0.304 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553453802 1268653257 /nfs/dbraw/zinc/65/32/57/1268653257.db2.gz ZRIJHRZJDMYCAH-HUUCEWRRSA-N 2 2 372.535 0.136 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)([NH+]2CCOCC2)C1 ZINC001553475732 1268656811 /nfs/dbraw/zinc/65/68/11/1268656811.db2.gz FAFPXVULIHMODV-NHFHULPWSA-N 2 2 366.506 0.698 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001340797323 1268661483 /nfs/dbraw/zinc/66/14/83/1268661483.db2.gz AASMSGTZFLOLTI-LBPRGKRZSA-N 2 2 361.450 0.060 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCCCCC2)CC1 ZINC001340864756 1268686061 /nfs/dbraw/zinc/68/60/61/1268686061.db2.gz JUCMYPGVJBVFLQ-INIZCTEOSA-N 2 2 359.536 0.909 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001553741327 1268693599 /nfs/dbraw/zinc/69/35/99/1268693599.db2.gz HABNTGNMAAYOHO-YOEHRIQHSA-N 2 2 367.413 0.887 20 0 FCADLP CN(CCCCCO)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001341148110 1268807030 /nfs/dbraw/zinc/80/70/30/1268807030.db2.gz SHEPYRCLMFLQAZ-UHFFFAOYSA-N 2 2 368.522 0.282 20 0 FCADLP CN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCC[N@H+](C)C1 ZINC001341346558 1268946111 /nfs/dbraw/zinc/94/61/11/1268946111.db2.gz QUQXPFUOPKAXGX-INIZCTEOSA-N 2 2 350.467 0.773 20 0 FCADLP CN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC001341346558 1268946118 /nfs/dbraw/zinc/94/61/18/1268946118.db2.gz QUQXPFUOPKAXGX-INIZCTEOSA-N 2 2 350.467 0.773 20 0 FCADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001341624446 1269117010 /nfs/dbraw/zinc/11/70/10/1269117010.db2.gz VAAUMQZLUBHAFS-OAHLLOKOSA-N 2 2 358.442 0.409 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)CC(=O)NC)CC2)CC1 ZINC001564770811 1269434491 /nfs/dbraw/zinc/43/44/91/1269434491.db2.gz MOLBSWKCVTWHGS-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)CC(=O)NC)CC2)CC1 ZINC001564770811 1269434495 /nfs/dbraw/zinc/43/44/95/1269434495.db2.gz MOLBSWKCVTWHGS-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001342682186 1269561490 /nfs/dbraw/zinc/56/14/90/1269561490.db2.gz KWCQBMKIAIHADX-MRXNPFEDSA-N 2 2 366.510 0.848 20 0 FCADLP CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001342682186 1269561497 /nfs/dbraw/zinc/56/14/97/1269561497.db2.gz KWCQBMKIAIHADX-MRXNPFEDSA-N 2 2 366.510 0.848 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001566235348 1269623575 /nfs/dbraw/zinc/62/35/75/1269623575.db2.gz QGJRNNQBPFYVPU-QRVBRYPASA-N 2 2 361.486 0.483 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001566235348 1269623586 /nfs/dbraw/zinc/62/35/86/1269623586.db2.gz QGJRNNQBPFYVPU-QRVBRYPASA-N 2 2 361.486 0.483 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC001567305016 1269686131 /nfs/dbraw/zinc/68/61/31/1269686131.db2.gz JBUUWSNTJLQJKZ-HZPDHXFCSA-N 2 2 355.442 0.871 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC001567305016 1269686139 /nfs/dbraw/zinc/68/61/39/1269686139.db2.gz JBUUWSNTJLQJKZ-HZPDHXFCSA-N 2 2 355.442 0.871 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1nncs1 ZINC001567425183 1269692803 /nfs/dbraw/zinc/69/28/03/1269692803.db2.gz JWGSAMVMPJMJOR-CHWSQXEVSA-N 2 2 368.507 0.645 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1nncs1 ZINC001567425183 1269692810 /nfs/dbraw/zinc/69/28/10/1269692810.db2.gz JWGSAMVMPJMJOR-CHWSQXEVSA-N 2 2 368.507 0.645 20 0 FCADLP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1nncs1 ZINC001567425183 1269692818 /nfs/dbraw/zinc/69/28/18/1269692818.db2.gz JWGSAMVMPJMJOR-CHWSQXEVSA-N 2 2 368.507 0.645 20 0 FCADLP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1nncs1 ZINC001567425183 1269692826 /nfs/dbraw/zinc/69/28/26/1269692826.db2.gz JWGSAMVMPJMJOR-CHWSQXEVSA-N 2 2 368.507 0.645 20 0 FCADLP CC(C)n1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001568580718 1269741643 /nfs/dbraw/zinc/74/16/43/1269741643.db2.gz ZCPLAUZHYLTVEX-ARFHVFGLSA-N 2 2 360.462 0.568 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001572780903 1270134040 /nfs/dbraw/zinc/13/40/40/1270134040.db2.gz NMVNKLPTCXSZGI-JKSUJKDBSA-N 2 2 359.474 0.888 20 0 FCADLP CN(C(=O)C(=O)NC(C1CC1)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001344917409 1270276536 /nfs/dbraw/zinc/27/65/36/1270276536.db2.gz ORHZVRASYNHKPU-KRWDZBQOSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C(=O)C(=O)NC(C1CC1)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001344917409 1270276540 /nfs/dbraw/zinc/27/65/40/1270276540.db2.gz ORHZVRASYNHKPU-KRWDZBQOSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573965178 1270961691 /nfs/dbraw/zinc/96/16/91/1270961691.db2.gz QPCKEXWZYUKRIF-UHFFFAOYSA-N 2 2 358.450 0.332 20 0 FCADLP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574035311 1271020354 /nfs/dbraw/zinc/02/03/54/1271020354.db2.gz JSLGWRKHNUGRKP-HNNXBMFYSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574548090 1271337823 /nfs/dbraw/zinc/33/78/23/1271337823.db2.gz WEVPVPRWSYOASH-NEPJUHHUSA-N 2 2 355.406 0.276 20 0 FCADLP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598705 1271402299 /nfs/dbraw/zinc/40/22/99/1271402299.db2.gz WSWJXXUESCRFHH-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598705 1271402303 /nfs/dbraw/zinc/40/23/03/1271402303.db2.gz WSWJXXUESCRFHH-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574612210 1271419494 /nfs/dbraw/zinc/41/94/94/1271419494.db2.gz FLRZKXKXQWMVKI-NSHDSACASA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574786142 1271519708 /nfs/dbraw/zinc/51/97/08/1271519708.db2.gz QQCYPNSEUDTIQR-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574786142 1271519714 /nfs/dbraw/zinc/51/97/14/1271519714.db2.gz QQCYPNSEUDTIQR-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575387627 1272036463 /nfs/dbraw/zinc/03/64/63/1272036463.db2.gz VEKFAHXARTUDBZ-CHWSQXEVSA-N 2 2 354.418 0.746 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575389369 1272038517 /nfs/dbraw/zinc/03/85/17/1272038517.db2.gz USSHWGBGRVVLAX-VXGBXAGGSA-N 2 2 372.408 0.885 20 0 FCADLP CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001575591036 1272221961 /nfs/dbraw/zinc/22/19/61/1272221961.db2.gz DOCURUSTOMJXQA-GOSISDBHSA-N 2 2 357.495 0.781 20 0 FCADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001575591036 1272221965 /nfs/dbraw/zinc/22/19/65/1272221965.db2.gz DOCURUSTOMJXQA-GOSISDBHSA-N 2 2 357.495 0.781 20 0 FCADLP CC(C)Cc1nnc(N2CC[C@@H](C[NH3+])C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001575661745 1272277482 /nfs/dbraw/zinc/27/74/82/1272277482.db2.gz AQJQXSORLOIPSJ-CVEARBPZSA-N 2 2 350.511 0.982 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575819624 1272477414 /nfs/dbraw/zinc/47/74/14/1272477414.db2.gz WVVYCJMREKASRD-GOSISDBHSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575819624 1272477419 /nfs/dbraw/zinc/47/74/19/1272477419.db2.gz WVVYCJMREKASRD-GOSISDBHSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020896 1272723773 /nfs/dbraw/zinc/72/37/73/1272723773.db2.gz HGGZRMHGVVRXJT-BBRMVZONSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063790 1272814251 /nfs/dbraw/zinc/81/42/51/1272814251.db2.gz FQMVBDWSXUWVLG-HOTGVXAUSA-N 2 2 371.489 0.522 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576261509 1273053470 /nfs/dbraw/zinc/05/34/70/1273053470.db2.gz KUEZDJHDCXCPIA-MLGOLLRUSA-N 2 2 366.429 0.769 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484793 1273329681 /nfs/dbraw/zinc/32/96/81/1273329681.db2.gz APLPYVOEYJBNBH-DOTOQJQBSA-N 2 2 350.467 0.122 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484793 1273329687 /nfs/dbraw/zinc/32/96/87/1273329687.db2.gz APLPYVOEYJBNBH-DOTOQJQBSA-N 2 2 350.467 0.122 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576490850 1273342456 /nfs/dbraw/zinc/34/24/56/1273342456.db2.gz OHCKWQXZUPAWBN-OCCSQVGLSA-N 2 2 358.450 0.639 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498588 1273358553 /nfs/dbraw/zinc/35/85/53/1273358553.db2.gz LTUUEXQGKUXYRN-GXTWGEPZSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576507117 1273377443 /nfs/dbraw/zinc/37/74/43/1273377443.db2.gz VWJAFNISWXKTLU-OAHLLOKOSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576507117 1273377449 /nfs/dbraw/zinc/37/74/49/1273377449.db2.gz VWJAFNISWXKTLU-OAHLLOKOSA-N 2 2 363.441 0.894 20 0 FCADLP CC[N@H+](C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517997 1273402085 /nfs/dbraw/zinc/40/20/85/1273402085.db2.gz WWINYRZEGFSQLA-IAGOWNOFSA-N 2 2 360.462 0.407 20 0 FCADLP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517997 1273402087 /nfs/dbraw/zinc/40/20/87/1273402087.db2.gz WWINYRZEGFSQLA-IAGOWNOFSA-N 2 2 360.462 0.407 20 0 FCADLP CC[N@H+](C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517996 1273402772 /nfs/dbraw/zinc/40/27/72/1273402772.db2.gz WWINYRZEGFSQLA-DLBZAZTESA-N 2 2 360.462 0.407 20 0 FCADLP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517996 1273402778 /nfs/dbraw/zinc/40/27/78/1273402778.db2.gz WWINYRZEGFSQLA-DLBZAZTESA-N 2 2 360.462 0.407 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557608 1273436244 /nfs/dbraw/zinc/43/62/44/1273436244.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557608 1273436246 /nfs/dbraw/zinc/43/62/46/1273436246.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557608 1273436247 /nfs/dbraw/zinc/43/62/47/1273436247.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557608 1273436250 /nfs/dbraw/zinc/43/62/50/1273436250.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557608 1273436251 /nfs/dbraw/zinc/43/62/51/1273436251.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557608 1273436252 /nfs/dbraw/zinc/43/62/52/1273436252.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557608 1273436254 /nfs/dbraw/zinc/43/62/54/1273436254.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557608 1273436256 /nfs/dbraw/zinc/43/62/56/1273436256.db2.gz RZRPBYDFHGLQLX-HOTGVXAUSA-N 2 2 364.494 0.285 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576585672 1273464502 /nfs/dbraw/zinc/46/45/02/1273464502.db2.gz FGMZCIJURRNNMX-GDBMZVCRSA-N 2 2 361.450 0.005 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576834285 1273762657 /nfs/dbraw/zinc/76/26/57/1273762657.db2.gz CYAVEQVFBKKJBA-AWEZNQCLSA-N 2 2 354.418 0.748 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576835319 1273764668 /nfs/dbraw/zinc/76/46/68/1273764668.db2.gz LPYRVVIZDDIIPC-NSHDSACASA-N 2 2 355.406 0.265 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576836055 1273768589 /nfs/dbraw/zinc/76/85/89/1273768589.db2.gz WEUWTGVBWGMZOB-OAHLLOKOSA-N 2 2 354.418 0.748 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576836576 1273769818 /nfs/dbraw/zinc/76/98/18/1273769818.db2.gz RFTKXCSVDFJKPR-CYBMUJFWSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001576861270 1273823165 /nfs/dbraw/zinc/82/31/65/1273823165.db2.gz POSYRVHTUQVCCD-OAGGEKHMSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001576861270 1273823173 /nfs/dbraw/zinc/82/31/73/1273823173.db2.gz POSYRVHTUQVCCD-OAGGEKHMSA-N 2 2 364.494 0.430 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880404 /nfs/dbraw/zinc/88/04/04/1273880404.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880414 /nfs/dbraw/zinc/88/04/14/1273880414.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880419 /nfs/dbraw/zinc/88/04/19/1273880419.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880428 /nfs/dbraw/zinc/88/04/28/1273880428.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880437 /nfs/dbraw/zinc/88/04/37/1273880437.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880442 /nfs/dbraw/zinc/88/04/42/1273880442.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880452 /nfs/dbraw/zinc/88/04/52/1273880452.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889373 1273880461 /nfs/dbraw/zinc/88/04/61/1273880461.db2.gz KIPZFLIWPNBVJD-OTWHNJEPSA-N 2 2 368.485 0.883 20 0 FCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH2+]CCc3cn[nH]n3)CC2)n[nH]1 ZINC001576911622 1273925642 /nfs/dbraw/zinc/92/56/42/1273925642.db2.gz YCABXHLZMLYBAB-KRWDZBQOSA-N 2 2 372.477 0.731 20 0 FCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH2+]CCc3cn[nH]n3)CC2)n[nH]1 ZINC001576911622 1273925646 /nfs/dbraw/zinc/92/56/46/1273925646.db2.gz YCABXHLZMLYBAB-KRWDZBQOSA-N 2 2 372.477 0.731 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001577040259 1274104649 /nfs/dbraw/zinc/10/46/49/1274104649.db2.gz JNYKHWQKOBSLFZ-USXIJHARSA-N 2 2 364.494 0.427 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001577040259 1274104652 /nfs/dbraw/zinc/10/46/52/1274104652.db2.gz JNYKHWQKOBSLFZ-USXIJHARSA-N 2 2 364.494 0.427 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001577040259 1274104657 /nfs/dbraw/zinc/10/46/57/1274104657.db2.gz JNYKHWQKOBSLFZ-USXIJHARSA-N 2 2 364.494 0.427 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001577040259 1274104662 /nfs/dbraw/zinc/10/46/62/1274104662.db2.gz JNYKHWQKOBSLFZ-USXIJHARSA-N 2 2 364.494 0.427 20 0 FCADLP CCCCC(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577425235 1274403723 /nfs/dbraw/zinc/40/37/23/1274403723.db2.gz YISJQJOHDMHUDC-UHFFFAOYSA-N 2 2 372.477 0.866 20 0 FCADLP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001577476744 1274432916 /nfs/dbraw/zinc/43/29/16/1274432916.db2.gz BTLYWZUGJVFSMW-AWEZNQCLSA-N 2 2 372.477 0.866 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3cn[nH]n3)C[C@H]2C1 ZINC001577495990 1274452984 /nfs/dbraw/zinc/45/29/84/1274452984.db2.gz HTVXRNPOZFYWMI-BZUAXINKSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCc3cn[nH]n3)C[C@H]2C1 ZINC001577495990 1274452986 /nfs/dbraw/zinc/45/29/86/1274452986.db2.gz HTVXRNPOZFYWMI-BZUAXINKSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]2C1 ZINC001577495990 1274452987 /nfs/dbraw/zinc/45/29/87/1274452987.db2.gz HTVXRNPOZFYWMI-BZUAXINKSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]2C1 ZINC001577495990 1274452992 /nfs/dbraw/zinc/45/29/92/1274452992.db2.gz HTVXRNPOZFYWMI-BZUAXINKSA-N 2 2 357.462 0.769 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577563668 1274518650 /nfs/dbraw/zinc/51/86/50/1274518650.db2.gz WIIUZPBJJXEARH-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577563668 1274518654 /nfs/dbraw/zinc/51/86/54/1274518654.db2.gz WIIUZPBJJXEARH-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758312 1274838717 /nfs/dbraw/zinc/83/87/17/1274838717.db2.gz KLELZHIHVPWPBD-NVXWUHKLSA-N 2 2 362.478 0.181 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758312 1274838728 /nfs/dbraw/zinc/83/87/28/1274838728.db2.gz KLELZHIHVPWPBD-NVXWUHKLSA-N 2 2 362.478 0.181 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COC3CC[NH2+]CC3)CC2)CC1 ZINC001577767602 1274854052 /nfs/dbraw/zinc/85/40/52/1274854052.db2.gz MSINIPDMUMBWQY-UHFFFAOYSA-N 3 2 352.523 0.774 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COC3CC[NH2+]CC3)CC2)CC1 ZINC001577767602 1274854063 /nfs/dbraw/zinc/85/40/63/1274854063.db2.gz MSINIPDMUMBWQY-UHFFFAOYSA-N 3 2 352.523 0.774 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577805014 1274907567 /nfs/dbraw/zinc/90/75/67/1274907567.db2.gz GSVZBOUMDWPCHW-MRXNPFEDSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001577805014 1274907571 /nfs/dbraw/zinc/90/75/71/1274907571.db2.gz GSVZBOUMDWPCHW-MRXNPFEDSA-N 2 2 350.467 0.040 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001577855389 1275005846 /nfs/dbraw/zinc/00/58/46/1275005846.db2.gz CSDFEDHZMYWIJH-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001577855389 1275005850 /nfs/dbraw/zinc/00/58/50/1275005850.db2.gz CSDFEDHZMYWIJH-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1cn[nH]n1 ZINC001577872859 1275063007 /nfs/dbraw/zinc/06/30/07/1275063007.db2.gz OJCBBPJVQTVMBT-IRXDYDNUSA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1cn[nH]n1 ZINC001577872859 1275063013 /nfs/dbraw/zinc/06/30/13/1275063013.db2.gz OJCBBPJVQTVMBT-IRXDYDNUSA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1c[nH]nn1 ZINC001577872859 1275063023 /nfs/dbraw/zinc/06/30/23/1275063023.db2.gz OJCBBPJVQTVMBT-IRXDYDNUSA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1c[nH]nn1 ZINC001577872859 1275063028 /nfs/dbraw/zinc/06/30/28/1275063028.db2.gz OJCBBPJVQTVMBT-IRXDYDNUSA-N 2 2 362.478 0.135 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577888153 1275093815 /nfs/dbraw/zinc/09/38/15/1275093815.db2.gz DOWANDXUIBWQSO-XJKSGUPXSA-N 2 2 370.461 0.641 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577903362 1275111978 /nfs/dbraw/zinc/11/19/78/1275111978.db2.gz YPKUCZJREXRVPW-ZDUSSCGKSA-N 2 2 364.429 0.494 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578029576 1275306167 /nfs/dbraw/zinc/30/61/67/1275306167.db2.gz QQIKGAPEQICANP-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578029576 1275306174 /nfs/dbraw/zinc/30/61/74/1275306174.db2.gz QQIKGAPEQICANP-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578037471 1275315288 /nfs/dbraw/zinc/31/52/88/1275315288.db2.gz JQBWLWZJVHDGSV-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578037471 1275315294 /nfs/dbraw/zinc/31/52/94/1275315294.db2.gz JQBWLWZJVHDGSV-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CCOCc1nnc(N2CCC([NH3+])CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001578134717 1275433667 /nfs/dbraw/zinc/43/36/67/1275433667.db2.gz BMXKEPPHADATRY-CQSZACIVSA-N 2 2 352.483 0.463 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCc1c[nH+]cn1C ZINC001578136626 1275436525 /nfs/dbraw/zinc/43/65/25/1275436525.db2.gz SYXQOAILZSWKAM-UHFFFAOYSA-N 2 2 369.433 0.310 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578219475 1275514326 /nfs/dbraw/zinc/51/43/26/1275514326.db2.gz LJMFEHQYYDJMMC-MRXNPFEDSA-N 2 2 370.461 0.785 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578219475 1275514331 /nfs/dbraw/zinc/51/43/31/1275514331.db2.gz LJMFEHQYYDJMMC-MRXNPFEDSA-N 2 2 370.461 0.785 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578221088 1275518761 /nfs/dbraw/zinc/51/87/61/1275518761.db2.gz KZMHIEJICHFHEE-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578221088 1275518765 /nfs/dbraw/zinc/51/87/65/1275518765.db2.gz KZMHIEJICHFHEE-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP CCc1nnc(N2C[C@@H](C)[C@H]([NH3+])C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001578305113 1275640336 /nfs/dbraw/zinc/64/03/36/1275640336.db2.gz JOODMBZWGYMKIE-GDBMZVCRSA-N 2 2 371.489 0.904 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001578420136 1275788468 /nfs/dbraw/zinc/78/84/68/1275788468.db2.gz OHUZWFSYMQREOG-BNOWGMLFSA-N 2 2 358.450 0.543 20 0 FCADLP CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001578468844 1275880072 /nfs/dbraw/zinc/88/00/72/1275880072.db2.gz ORCNPGBGFBAZEA-UHFFFAOYSA-N 2 2 357.499 0.918 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532979 1275962957 /nfs/dbraw/zinc/96/29/57/1275962957.db2.gz IFXMJLUNRZMBFA-IGQOVBAYSA-N 2 2 353.467 0.055 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532979 1275962961 /nfs/dbraw/zinc/96/29/61/1275962961.db2.gz IFXMJLUNRZMBFA-IGQOVBAYSA-N 2 2 353.467 0.055 20 0 FCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539848 1275967699 /nfs/dbraw/zinc/96/76/99/1275967699.db2.gz GWOPDAFPWOVMQH-HRCADAONSA-N 2 2 353.850 0.816 20 0 FCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539848 1275967703 /nfs/dbraw/zinc/96/77/03/1275967703.db2.gz GWOPDAFPWOVMQH-HRCADAONSA-N 2 2 353.850 0.816 20 0 FCADLP C[NH2+]CCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001578705564 1276171963 /nfs/dbraw/zinc/17/19/63/1276171963.db2.gz TXRKDYOQLQJYSF-AWEZNQCLSA-N 2 2 355.483 0.542 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC12C[NH2+]C2 ZINC001578798141 1276287814 /nfs/dbraw/zinc/28/78/14/1276287814.db2.gz XAPJIXQWUHLBKS-ZDUSSCGKSA-N 2 2 357.451 0.222 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC12C[NH2+]C2 ZINC001578798141 1276287823 /nfs/dbraw/zinc/28/78/23/1276287823.db2.gz XAPJIXQWUHLBKS-ZDUSSCGKSA-N 2 2 357.451 0.222 20 0 FCADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578878504 1276407333 /nfs/dbraw/zinc/40/73/33/1276407333.db2.gz PGDDFKCFLJJKDQ-ZDUSSCGKSA-N 2 2 356.434 0.395 20 0 FCADLP COC1(C)CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001578925531 1276466402 /nfs/dbraw/zinc/46/64/02/1276466402.db2.gz LIURHCKSTBDKMT-GJZGRUSLSA-N 2 2 364.494 0.648 20 0 FCADLP C[N@H+](CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)CC(C)(C)C ZINC001579007275 1276579512 /nfs/dbraw/zinc/57/95/12/1276579512.db2.gz SBJZMOMYULPEIM-UHFFFAOYSA-N 2 2 372.477 0.888 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)CC(C)(C)C ZINC001579007275 1276579514 /nfs/dbraw/zinc/57/95/14/1276579514.db2.gz SBJZMOMYULPEIM-UHFFFAOYSA-N 2 2 372.477 0.888 20 0 FCADLP C[N@H+](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)C1CCC1 ZINC001579013502 1276588162 /nfs/dbraw/zinc/58/81/62/1276588162.db2.gz DMGWXMFELUDSSJ-UHFFFAOYSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@@H+](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)C1CCC1 ZINC001579013502 1276588166 /nfs/dbraw/zinc/58/81/66/1276588166.db2.gz DMGWXMFELUDSSJ-UHFFFAOYSA-N 2 2 370.461 0.619 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579102933 1276758769 /nfs/dbraw/zinc/75/87/69/1276758769.db2.gz SLIWUNGVMOFKDR-RDJZCZTQSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579102933 1276758780 /nfs/dbraw/zinc/75/87/80/1276758780.db2.gz SLIWUNGVMOFKDR-RDJZCZTQSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579102933 1276758794 /nfs/dbraw/zinc/75/87/94/1276758794.db2.gz SLIWUNGVMOFKDR-RDJZCZTQSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579102933 1276758806 /nfs/dbraw/zinc/75/88/06/1276758806.db2.gz SLIWUNGVMOFKDR-RDJZCZTQSA-N 2 2 369.473 0.994 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001579281375 1277098434 /nfs/dbraw/zinc/09/84/34/1277098434.db2.gz BFUZPTRJZAEUDI-ZDUSSCGKSA-N 2 2 370.461 0.783 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001579339682 1277182694 /nfs/dbraw/zinc/18/26/94/1277182694.db2.gz IPLNBNNQGUQWNX-HNNXBMFYSA-N 2 2 356.492 0.664 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353261 1277212527 /nfs/dbraw/zinc/21/25/27/1277212527.db2.gz HHKQBSPMRBVWSG-HNNXBMFYSA-N 2 2 356.434 0.395 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353261 1277212532 /nfs/dbraw/zinc/21/25/32/1277212532.db2.gz HHKQBSPMRBVWSG-HNNXBMFYSA-N 2 2 356.434 0.395 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355062 1277217341 /nfs/dbraw/zinc/21/73/41/1277217341.db2.gz CNOUUIVKKGQANA-YJBOKZPZSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355062 1277217342 /nfs/dbraw/zinc/21/73/42/1277217342.db2.gz CNOUUIVKKGQANA-YJBOKZPZSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001579353884 1277217618 /nfs/dbraw/zinc/21/76/18/1277217618.db2.gz VYXDTSJTKBXSSH-LSDHHAIUSA-N 2 2 370.461 0.427 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001579353884 1277217623 /nfs/dbraw/zinc/21/76/23/1277217623.db2.gz VYXDTSJTKBXSSH-LSDHHAIUSA-N 2 2 370.461 0.427 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356596 1277222387 /nfs/dbraw/zinc/22/23/87/1277222387.db2.gz LUABPPZPDSMXAT-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356596 1277222389 /nfs/dbraw/zinc/22/23/89/1277222389.db2.gz LUABPPZPDSMXAT-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356596 1277222394 /nfs/dbraw/zinc/22/23/94/1277222394.db2.gz LUABPPZPDSMXAT-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356596 1277222398 /nfs/dbraw/zinc/22/23/98/1277222398.db2.gz LUABPPZPDSMXAT-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358633 1277227526 /nfs/dbraw/zinc/22/75/26/1277227526.db2.gz HAOJKPKQOXURCZ-CABCVRRESA-N 2 2 370.461 0.687 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358633 1277227528 /nfs/dbraw/zinc/22/75/28/1277227528.db2.gz HAOJKPKQOXURCZ-CABCVRRESA-N 2 2 370.461 0.687 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359493 1277233275 /nfs/dbraw/zinc/23/32/75/1277233275.db2.gz WGCJETTYNAJJAX-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359493 1277233277 /nfs/dbraw/zinc/23/32/77/1277233277.db2.gz WGCJETTYNAJJAX-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359493 1277233278 /nfs/dbraw/zinc/23/32/78/1277233278.db2.gz WGCJETTYNAJJAX-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359493 1277233280 /nfs/dbraw/zinc/23/32/80/1277233280.db2.gz WGCJETTYNAJJAX-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360220 1277236068 /nfs/dbraw/zinc/23/60/68/1277236068.db2.gz HBYWDLBVFFJIRP-XTBFLFJDSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360220 1277236071 /nfs/dbraw/zinc/23/60/71/1277236071.db2.gz HBYWDLBVFFJIRP-XTBFLFJDSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368855 1277249917 /nfs/dbraw/zinc/24/99/17/1277249917.db2.gz LVHQNBXDMSTUKA-XJKCOSOUSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368855 1277249920 /nfs/dbraw/zinc/24/99/20/1277249920.db2.gz LVHQNBXDMSTUKA-XJKCOSOUSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579369353 1277251637 /nfs/dbraw/zinc/25/16/37/1277251637.db2.gz ZFWWFWLICMWOCE-MRXNPFEDSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579369353 1277251639 /nfs/dbraw/zinc/25/16/39/1277251639.db2.gz ZFWWFWLICMWOCE-MRXNPFEDSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cn2)CC1 ZINC001579378007 1277260055 /nfs/dbraw/zinc/26/00/55/1277260055.db2.gz WZLGXKCYYKCNEB-UHFFFAOYSA-N 2 2 371.474 0.760 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC001579484902 1277394010 /nfs/dbraw/zinc/39/40/10/1277394010.db2.gz RTGMSIQINUKHDH-FZMZJTMJSA-N 2 2 356.264 0.974 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001713902106 1287304860 /nfs/dbraw/zinc/30/48/60/1287304860.db2.gz YWBBGYOSYWWTLE-UKRRQHHQSA-N 2 2 357.520 0.199 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001713902106 1287304869 /nfs/dbraw/zinc/30/48/69/1287304869.db2.gz YWBBGYOSYWWTLE-UKRRQHHQSA-N 2 2 357.520 0.199 20 0 FCADLP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579867525 1277944668 /nfs/dbraw/zinc/94/46/68/1277944668.db2.gz GBDGREMCVLLSAU-DLBZAZTESA-N 2 2 358.446 0.835 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001579948910 1277976778 /nfs/dbraw/zinc/97/67/78/1277976778.db2.gz LJEFMXMAQNQIAS-HNNXBMFYSA-N 2 2 373.461 0.518 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001579948910 1277976783 /nfs/dbraw/zinc/97/67/83/1277976783.db2.gz LJEFMXMAQNQIAS-HNNXBMFYSA-N 2 2 373.461 0.518 20 0 FCADLP CCn1nnc(C)c1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714428706 1287321562 /nfs/dbraw/zinc/32/15/62/1287321562.db2.gz KPAOECQRNVBVLY-NWANDNLSSA-N 2 2 359.478 0.986 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580943442 1279151219 /nfs/dbraw/zinc/15/12/19/1279151219.db2.gz HLHWGSLNWDVQCR-LBPRGKRZSA-N 2 2 369.433 0.716 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580949331 1279154772 /nfs/dbraw/zinc/15/47/72/1279154772.db2.gz UYKSQQZILCMRIT-UHFFFAOYSA-N 2 2 355.406 0.328 20 0 FCADLP Cc1cc(N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958694 1279162186 /nfs/dbraw/zinc/16/21/86/1279162186.db2.gz IHDDJAQFXOZJHH-LBPRGKRZSA-N 2 2 367.417 0.241 20 0 FCADLP Cc1cc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970890 1279172005 /nfs/dbraw/zinc/17/20/05/1279172005.db2.gz JNKYJXLIRHCVMQ-OCCSQVGLSA-N 2 2 370.461 0.464 20 0 FCADLP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987225 1279184540 /nfs/dbraw/zinc/18/45/40/1279184540.db2.gz ACJLLUUEXBSNKO-STQMWFEESA-N 2 2 369.433 0.584 20 0 FCADLP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989081 1279189630 /nfs/dbraw/zinc/18/96/30/1279189630.db2.gz MKMVUOGAMBXGDK-NWDGAFQWSA-N 2 2 369.433 0.273 20 0 FCADLP Cc1cc(NC[C@H](C)CNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012901 1279239443 /nfs/dbraw/zinc/23/94/43/1279239443.db2.gz DJNRYHFINLXOSV-NSHDSACASA-N 2 2 369.433 0.132 20 0 FCADLP Cc1cc(NC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015746 1279244665 /nfs/dbraw/zinc/24/46/65/1279244665.db2.gz CNFYSUWGSCCQCX-CQSZACIVSA-N 2 2 367.417 0.265 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH2+]CC(=O)NC2CC2)CCCC1 ZINC001715107763 1287344482 /nfs/dbraw/zinc/34/44/82/1287344482.db2.gz YGQMLZUXPXZHOO-HUUCEWRRSA-N 2 2 359.474 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2nnnn2C)CCCC1 ZINC001715305133 1287348974 /nfs/dbraw/zinc/34/89/74/1287348974.db2.gz BTORYINBTRKONC-CHWSQXEVSA-N 2 2 358.450 0.266 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603318793 1287354811 /nfs/dbraw/zinc/35/48/11/1287354811.db2.gz WQVRZPPLDGRJPN-CYBMUJFWSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603318793 1287354815 /nfs/dbraw/zinc/35/48/15/1287354815.db2.gz WQVRZPPLDGRJPN-CYBMUJFWSA-N 2 2 358.450 0.687 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001581255044 1279529426 /nfs/dbraw/zinc/52/94/26/1279529426.db2.gz QSJSPCWUEKFYJH-ARFHVFGLSA-N 2 2 370.457 0.836 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581338532 1279717763 /nfs/dbraw/zinc/71/77/63/1279717763.db2.gz OOXYHYFWXBAYJI-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581338532 1279717766 /nfs/dbraw/zinc/71/77/66/1279717766.db2.gz OOXYHYFWXBAYJI-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338536 1279717894 /nfs/dbraw/zinc/71/78/94/1279717894.db2.gz ORGPJEATQRLJRT-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338536 1279717901 /nfs/dbraw/zinc/71/79/01/1279717901.db2.gz ORGPJEATQRLJRT-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581338594 1279719655 /nfs/dbraw/zinc/71/96/55/1279719655.db2.gz QWHSBWYEENAXMU-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581338594 1279719660 /nfs/dbraw/zinc/71/96/60/1279719660.db2.gz QWHSBWYEENAXMU-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581339002 1279720556 /nfs/dbraw/zinc/72/05/56/1279720556.db2.gz YXTKJDMMLFSDJD-BETUJISGSA-N 2 2 367.417 0.195 20 0 FCADLP C[C@H](CCCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001603473104 1287382514 /nfs/dbraw/zinc/38/25/14/1287382514.db2.gz VGJDTDAZZIOMBH-CYBMUJFWSA-N 2 2 369.433 0.667 20 0 FCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530511 1287408544 /nfs/dbraw/zinc/40/85/44/1287408544.db2.gz GHTFZAISBKHPAG-LBPRGKRZSA-N 2 2 369.433 0.569 20 0 FCADLP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530816 1287409943 /nfs/dbraw/zinc/40/99/43/1287409943.db2.gz MTVGSVUVWRXAJP-LBPRGKRZSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530816 1287409950 /nfs/dbraw/zinc/40/99/50/1287409950.db2.gz MTVGSVUVWRXAJP-LBPRGKRZSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603591189 1287431455 /nfs/dbraw/zinc/43/14/55/1287431455.db2.gz ZEBBUSYIGOLRTH-XHDPSFHLSA-N 2 2 352.402 0.455 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001603614487 1287444639 /nfs/dbraw/zinc/44/46/39/1287444639.db2.gz TXTNJDLULMNYTM-OLZOCXBDSA-N 2 2 369.433 0.666 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001718163686 1287465685 /nfs/dbraw/zinc/46/56/85/1287465685.db2.gz WEDRDOYWKIHSLO-BPLDGKMQSA-N 2 2 358.446 0.692 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001582099394 1281055473 /nfs/dbraw/zinc/05/54/73/1281055473.db2.gz QGZIAKCAWJRYIN-UHFFFAOYSA-N 2 2 370.461 0.620 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582099745 1281057166 /nfs/dbraw/zinc/05/71/66/1281057166.db2.gz ZXQPZZAZJNCYGT-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582099745 1281057172 /nfs/dbraw/zinc/05/71/72/1281057172.db2.gz ZXQPZZAZJNCYGT-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582100803 1281057757 /nfs/dbraw/zinc/05/77/57/1281057757.db2.gz OWVQJONXNHSULG-MRXNPFEDSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582100803 1281057765 /nfs/dbraw/zinc/05/77/65/1281057765.db2.gz OWVQJONXNHSULG-MRXNPFEDSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582100923 1281058189 /nfs/dbraw/zinc/05/81/89/1281058189.db2.gz VIIWTVIEJGQXDA-XPKDYRNWSA-N 2 2 368.445 0.583 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582100787 1281058632 /nfs/dbraw/zinc/05/86/32/1281058632.db2.gz OCYNYTFTLIOKQZ-HZPDHXFCSA-N 2 2 370.461 0.619 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582169205 1281135190 /nfs/dbraw/zinc/13/51/90/1281135190.db2.gz IMYLVYYAYIVOEX-INIZCTEOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001582170531 1281138393 /nfs/dbraw/zinc/13/83/93/1281138393.db2.gz USPUXIHIFRBMIS-UHFFFAOYSA-N 2 2 366.429 0.961 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582171690 1281141144 /nfs/dbraw/zinc/14/11/44/1281141144.db2.gz WUIJGSFOZZTZLP-BETUJISGSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582184149 1281163377 /nfs/dbraw/zinc/16/33/77/1281163377.db2.gz YUSWNZLWNJJIMA-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582184149 1281163379 /nfs/dbraw/zinc/16/33/79/1281163379.db2.gz YUSWNZLWNJJIMA-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001582185690 1281165414 /nfs/dbraw/zinc/16/54/14/1281165414.db2.gz XJGFISOOYQJVHJ-HALDLXJZSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001582185690 1281165418 /nfs/dbraw/zinc/16/54/18/1281165418.db2.gz XJGFISOOYQJVHJ-HALDLXJZSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582196425 1281177087 /nfs/dbraw/zinc/17/70/87/1281177087.db2.gz JUBGWARINKJGCW-MRXNPFEDSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582196402 1281177556 /nfs/dbraw/zinc/17/75/56/1281177556.db2.gz ITJBRMUIMRFIRI-INIZCTEOSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196646 1281177895 /nfs/dbraw/zinc/17/78/95/1281177895.db2.gz QJZWNQBWBKSJOY-UHFFFAOYSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197664 1281182361 /nfs/dbraw/zinc/18/23/61/1281182361.db2.gz VFKNSJMXGRPXKK-UHFFFAOYSA-N 2 2 352.402 0.311 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582197972 1281184358 /nfs/dbraw/zinc/18/43/58/1281184358.db2.gz HIJOANDCDLEEBF-HDJSIYSDSA-N 2 2 370.392 0.639 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001636937290 1282547289 /nfs/dbraw/zinc/54/72/89/1282547289.db2.gz VUMNPKYSLSMVFM-HNNXBMFYSA-N 2 2 360.462 0.799 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3cc([C@H](C)O)nn3)CC2)CC1 ZINC001639386498 1282783121 /nfs/dbraw/zinc/78/31/21/1282783121.db2.gz KZGDQTAPQFWNAZ-HNNXBMFYSA-N 2 2 364.494 0.350 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3cc([C@H](C)O)nn3)CC2)CC1 ZINC001639386498 1282783127 /nfs/dbraw/zinc/78/31/27/1282783127.db2.gz KZGDQTAPQFWNAZ-HNNXBMFYSA-N 2 2 364.494 0.350 20 0 FCADLP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001589815393 1283045804 /nfs/dbraw/zinc/04/58/04/1283045804.db2.gz SLUZLHWPYSQDAK-BBRMVZONSA-N 2 2 372.477 0.865 20 0 FCADLP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001589815393 1283045816 /nfs/dbraw/zinc/04/58/16/1283045816.db2.gz SLUZLHWPYSQDAK-BBRMVZONSA-N 2 2 372.477 0.865 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001589829979 1283071888 /nfs/dbraw/zinc/07/18/88/1283071888.db2.gz MVDOBPKFOSMFRA-LLVKDONJSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589913098 1283121779 /nfs/dbraw/zinc/12/17/79/1283121779.db2.gz MLUNOMJKCJMTCZ-KGLIPLIRSA-N 2 2 372.477 0.820 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590174119 1283278028 /nfs/dbraw/zinc/27/80/28/1283278028.db2.gz PLUSFLQNVRFANU-IUODEOHRSA-N 2 2 366.429 0.912 20 0 FCADLP CC[C@H](C(=O)NCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001590866557 1283936906 /nfs/dbraw/zinc/93/69/06/1283936906.db2.gz IGJVUPXAILLSDZ-OAHLLOKOSA-N 2 2 370.461 0.855 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001591006241 1284067887 /nfs/dbraw/zinc/06/78/87/1284067887.db2.gz OXMHCJVGYLAECR-MRXNPFEDSA-N 2 2 366.429 0.515 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@H]21 ZINC001591024342 1284083398 /nfs/dbraw/zinc/08/33/98/1284083398.db2.gz DNAMWBVMIAAEGZ-VVLHAWIVSA-N 2 2 367.457 0.854 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@H]21 ZINC001591024342 1284083404 /nfs/dbraw/zinc/08/34/04/1284083404.db2.gz DNAMWBVMIAAEGZ-VVLHAWIVSA-N 2 2 367.457 0.854 20 0 FCADLP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001591072260 1284134337 /nfs/dbraw/zinc/13/43/37/1284134337.db2.gz JJOOMSSTUQPTJS-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001591072260 1284134341 /nfs/dbraw/zinc/13/43/41/1284134341.db2.gz JJOOMSSTUQPTJS-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001684302763 1284152944 /nfs/dbraw/zinc/15/29/44/1284152944.db2.gz WSVLWOKWYQAWIF-YIDVYQOGSA-N 2 2 361.490 0.875 20 0 FCADLP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001591106375 1284180271 /nfs/dbraw/zinc/18/02/71/1284180271.db2.gz GEDSJSLKVFOJGO-UHFFFAOYSA-N 2 2 363.385 0.744 20 0 FCADLP C[NH+](C[C@H](O)C[N@H+](C)CCOCc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001591116186 1284192426 /nfs/dbraw/zinc/19/24/26/1284192426.db2.gz OPHLKKJEERCMGI-QGZVFWFLSA-N 2 2 360.462 0.770 20 0 FCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCOCc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001591116186 1284192431 /nfs/dbraw/zinc/19/24/31/1284192431.db2.gz OPHLKKJEERCMGI-QGZVFWFLSA-N 2 2 360.462 0.770 20 0 FCADLP C[NH+](CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC001591116186 1284192437 /nfs/dbraw/zinc/19/24/37/1284192437.db2.gz OPHLKKJEERCMGI-QGZVFWFLSA-N 2 2 360.462 0.770 20 0 FCADLP C[NH+](CCOCc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001591116186 1284192440 /nfs/dbraw/zinc/19/24/40/1284192440.db2.gz OPHLKKJEERCMGI-QGZVFWFLSA-N 2 2 360.462 0.770 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183358 1284289637 /nfs/dbraw/zinc/28/96/37/1284289637.db2.gz DNFHPOPZNUXZTC-DOMZBBRYSA-N 2 2 369.429 0.430 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183358 1284289646 /nfs/dbraw/zinc/28/96/46/1284289646.db2.gz DNFHPOPZNUXZTC-DOMZBBRYSA-N 2 2 369.429 0.430 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001604697547 1287738378 /nfs/dbraw/zinc/73/83/78/1287738378.db2.gz UFZFJAQJTHAJFK-JKSUJKDBSA-N 2 2 357.462 0.886 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001604697547 1287738386 /nfs/dbraw/zinc/73/83/86/1287738386.db2.gz UFZFJAQJTHAJFK-JKSUJKDBSA-N 2 2 357.462 0.886 20 0 FCADLP Cc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007997 1285056737 /nfs/dbraw/zinc/05/67/37/1285056737.db2.gz YKGKROJCDFZDIS-UHFFFAOYSA-N 2 2 370.461 0.705 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001592742035 1285661060 /nfs/dbraw/zinc/66/10/60/1285661060.db2.gz BDKPUXDESSLBJA-TXKKKEFDSA-N 2 2 358.446 0.810 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001592742035 1285661066 /nfs/dbraw/zinc/66/10/66/1285661066.db2.gz BDKPUXDESSLBJA-TXKKKEFDSA-N 2 2 358.446 0.810 20 0 FCADLP O=C(CC[NH2+][C@@H]1CCn2c[nH+]cc2C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001592842394 1285748841 /nfs/dbraw/zinc/74/88/41/1285748841.db2.gz BQKLCGLSUDFFIF-CYBMUJFWSA-N 2 2 352.402 0.996 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@@H]2C[NH2+]CCO2)CC1 ZINC001593548147 1286200843 /nfs/dbraw/zinc/20/08/43/1286200843.db2.gz WORYXFZVTMESQP-KRWDZBQOSA-N 2 2 357.462 0.409 20 0 FCADLP CO[C@@H](C)CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001704465531 1286254378 /nfs/dbraw/zinc/25/43/78/1286254378.db2.gz TXPRQJASOTWZPD-GVDBMIGSSA-N 2 2 368.522 0.354 20 0 FCADLP CO[C@@H](C)CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001704465531 1286254383 /nfs/dbraw/zinc/25/43/83/1286254383.db2.gz TXPRQJASOTWZPD-GVDBMIGSSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCN(C)C(=O)CCCF)CC2)CC[N@@H+]1C ZINC001704467892 1286255832 /nfs/dbraw/zinc/25/58/32/1286255832.db2.gz WBKUAYGTDNQHKY-HZPDHXFCSA-N 2 2 356.486 0.679 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCN(C)C(=O)CCCF)CC2)CC[N@H+]1C ZINC001704467892 1286255841 /nfs/dbraw/zinc/25/58/41/1286255841.db2.gz WBKUAYGTDNQHKY-HZPDHXFCSA-N 2 2 356.486 0.679 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604860100 1287800809 /nfs/dbraw/zinc/80/08/09/1287800809.db2.gz DPRFECISCPZQKP-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604860100 1287800810 /nfs/dbraw/zinc/80/08/10/1287800810.db2.gz DPRFECISCPZQKP-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604860100 1287800812 /nfs/dbraw/zinc/80/08/12/1287800812.db2.gz DPRFECISCPZQKP-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604860100 1287800813 /nfs/dbraw/zinc/80/08/13/1287800813.db2.gz DPRFECISCPZQKP-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC001605894325 1288101286 /nfs/dbraw/zinc/10/12/86/1288101286.db2.gz XYQCPCBVHSJGQK-CYBMUJFWSA-N 2 2 351.414 0.979 20 0 FCADLP Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC001605894325 1288101290 /nfs/dbraw/zinc/10/12/90/1288101290.db2.gz XYQCPCBVHSJGQK-CYBMUJFWSA-N 2 2 351.414 0.979 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C ZINC001720881140 1288270587 /nfs/dbraw/zinc/27/05/87/1288270587.db2.gz YOCFEMMCSHPZQA-JLOCXQCDSA-N 2 2 359.474 0.577 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1C ZINC001720881140 1288270592 /nfs/dbraw/zinc/27/05/92/1288270592.db2.gz YOCFEMMCSHPZQA-JLOCXQCDSA-N 2 2 359.474 0.577 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001721219404 1288313769 /nfs/dbraw/zinc/31/37/69/1288313769.db2.gz UTTRZCIRVSIIBL-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001721219404 1288313776 /nfs/dbraw/zinc/31/37/76/1288313776.db2.gz UTTRZCIRVSIIBL-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721953826 1288393671 /nfs/dbraw/zinc/39/36/71/1288393671.db2.gz WXDLARFWVWCFTD-ARFHVFGLSA-N 2 2 361.490 0.876 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001722096578 1288404241 /nfs/dbraw/zinc/40/42/41/1288404241.db2.gz OJFDUZVWXOEVJX-ZIAGYGMSSA-N 2 2 359.474 0.630 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606621023 1288413224 /nfs/dbraw/zinc/41/32/24/1288413224.db2.gz YMNFUXIYGSTWIT-STQMWFEESA-N 2 2 367.417 0.277 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC(=O)N1CCCC1 ZINC001731868870 1288569014 /nfs/dbraw/zinc/56/90/14/1288569014.db2.gz JFCWQXLEZOIACL-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC(=O)N1CCCC1 ZINC001731868870 1288569016 /nfs/dbraw/zinc/56/90/16/1288569016.db2.gz JFCWQXLEZOIACL-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)Cc3ccco3)C2)CC[N@@H+]1C ZINC001732126672 1288576356 /nfs/dbraw/zinc/57/63/56/1288576356.db2.gz GMHMEWKQRVPLBI-RHSMWYFYSA-N 2 2 362.474 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)Cc3ccco3)C2)CC[N@H+]1C ZINC001732126672 1288576359 /nfs/dbraw/zinc/57/63/59/1288576359.db2.gz GMHMEWKQRVPLBI-RHSMWYFYSA-N 2 2 362.474 0.626 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001735721260 1288797552 /nfs/dbraw/zinc/79/75/52/1288797552.db2.gz DALDOQOFIWNXRD-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001735721260 1288797555 /nfs/dbraw/zinc/79/75/55/1288797555.db2.gz DALDOQOFIWNXRD-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)CC[C@@H]2C1 ZINC001692086558 1289392518 /nfs/dbraw/zinc/39/25/18/1289392518.db2.gz DETCGSOHROVWMN-SQNIBIBYSA-N 2 2 362.474 0.859 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)CC[C@@H]2C1 ZINC001692086558 1289392526 /nfs/dbraw/zinc/39/25/26/1289392526.db2.gz DETCGSOHROVWMN-SQNIBIBYSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692278020 1289441269 /nfs/dbraw/zinc/44/12/69/1289441269.db2.gz URJLILJYKGSGOW-ZNMIVQPWSA-N 2 2 361.494 0.393 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001692278020 1289441271 /nfs/dbraw/zinc/44/12/71/1289441271.db2.gz URJLILJYKGSGOW-ZNMIVQPWSA-N 2 2 361.494 0.393 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001698721946 1289533216 /nfs/dbraw/zinc/53/32/16/1289533216.db2.gz BHTRPOJLTNUOAV-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP O=C(NCCC1CC[NH+](CCO)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001698724543 1289533805 /nfs/dbraw/zinc/53/38/05/1289533805.db2.gz PQPCOQOJQQRKKK-MSOLQXFVSA-N 2 2 369.506 0.077 20 0 FCADLP CC(C)NC(=O)NCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698998601 1289543477 /nfs/dbraw/zinc/54/34/77/1289543477.db2.gz FIMTZRQCWLTTHN-HUUCEWRRSA-N 2 2 364.494 0.621 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698998601 1289543481 /nfs/dbraw/zinc/54/34/81/1289543481.db2.gz FIMTZRQCWLTTHN-HUUCEWRRSA-N 2 2 364.494 0.621 20 0 FCADLP C[C@H](C[NH2+]CC(=O)NCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699380693 1289552537 /nfs/dbraw/zinc/55/25/37/1289552537.db2.gz YFYXYAPXSIIOLA-GMTAPVOTSA-N 2 2 361.368 0.296 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOCC2CC2)C1 ZINC001699900676 1289573929 /nfs/dbraw/zinc/57/39/29/1289573929.db2.gz HFJDZVDBAIRDGM-GPMSIDNRSA-N 2 2 362.474 0.503 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOCC2CC2)C1 ZINC001699900676 1289573936 /nfs/dbraw/zinc/57/39/36/1289573936.db2.gz HFJDZVDBAIRDGM-GPMSIDNRSA-N 2 2 362.474 0.503 20 0 FCADLP CN(C)C(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001752518597 1290612761 /nfs/dbraw/zinc/61/27/61/1290612761.db2.gz WDYJSGHMDBITBQ-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001752518597 1290612768 /nfs/dbraw/zinc/61/27/68/1290612768.db2.gz WDYJSGHMDBITBQ-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP COc1nccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001754186449 1290626407 /nfs/dbraw/zinc/62/64/07/1290626407.db2.gz XKDDRLKLIRLHTG-LRPXVYOUSA-N 2 2 356.430 0.784 20 0 FCADLP Cn1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)cc1=O ZINC001754445717 1290628905 /nfs/dbraw/zinc/62/89/05/1290628905.db2.gz WZECPPYLJYWEFW-BZUAXINKSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)cc1=O ZINC001754445717 1290628911 /nfs/dbraw/zinc/62/89/11/1290628911.db2.gz WZECPPYLJYWEFW-BZUAXINKSA-N 2 2 355.442 0.897 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 ZINC001630237595 1290652990 /nfs/dbraw/zinc/65/29/90/1290652990.db2.gz KQVSIKUJHPWPLL-UHFFFAOYSA-N 2 2 359.474 0.813 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccnc3C(N)=O)CC2)CC1 ZINC001630237595 1290652999 /nfs/dbraw/zinc/65/29/99/1290652999.db2.gz KQVSIKUJHPWPLL-UHFFFAOYSA-N 2 2 359.474 0.813 20 0 FCADLP O=C(CC[NH2+][C@@H](CO)[C@@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001653888505 1291375894 /nfs/dbraw/zinc/37/58/94/1291375894.db2.gz SJHMULKECQLRJG-SJORKVTESA-N 2 2 362.474 0.497 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001660443359 1291658763 /nfs/dbraw/zinc/65/87/63/1291658763.db2.gz KUQDJLZFRIDZFM-STQMWFEESA-N 2 2 357.451 0.060 20 0 FCADLP CCO[C@@H]1COC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001676427241 1292204001 /nfs/dbraw/zinc/20/40/01/1292204001.db2.gz YKQGZFHKOUKDLO-IAGOWNOFSA-N 2 2 354.495 0.648 20 0 FCADLP CCCN1C[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000015 1292288870 /nfs/dbraw/zinc/28/88/70/1292288870.db2.gz XYQUHIABAHQZJS-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP CCCN1C[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000015 1292288873 /nfs/dbraw/zinc/28/88/73/1292288873.db2.gz XYQUHIABAHQZJS-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001689022252 1294572595 /nfs/dbraw/zinc/57/25/95/1294572595.db2.gz ZUBXJZRKTCJAQZ-LSDHHAIUSA-N 2 2 364.494 0.855 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001689095736 1294613059 /nfs/dbraw/zinc/61/30/59/1294613059.db2.gz NHCUDVNAXQQDMO-RDBSUJKOSA-N 2 2 364.450 0.073 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001689158414 1294628426 /nfs/dbraw/zinc/62/84/26/1294628426.db2.gz YJNYBWMESQJMPR-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001689158414 1294628436 /nfs/dbraw/zinc/62/84/36/1294628436.db2.gz YJNYBWMESQJMPR-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298468 1294722591 /nfs/dbraw/zinc/72/25/91/1294722591.db2.gz DOKBRUVUBJTVPE-FMKPAKJESA-N 2 2 359.536 0.730 20 0 FCADLP C[C@H](C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298468 1294722603 /nfs/dbraw/zinc/72/26/03/1294722603.db2.gz DOKBRUVUBJTVPE-FMKPAKJESA-N 2 2 359.536 0.730 20 0 FCADLP C[C@H](C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298468 1294722610 /nfs/dbraw/zinc/72/26/10/1294722610.db2.gz DOKBRUVUBJTVPE-FMKPAKJESA-N 2 2 359.536 0.730 20 0 FCADLP C[C@H](C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C)CS(C)(=O)=O ZINC001689298468 1294722619 /nfs/dbraw/zinc/72/26/19/1294722619.db2.gz DOKBRUVUBJTVPE-FMKPAKJESA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC001689342282 1294764829 /nfs/dbraw/zinc/76/48/29/1294764829.db2.gz NTPHDCAHUAJYPM-RYRKJORJSA-N 2 2 358.442 0.902 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H](O)COc1ccccc1 ZINC001689342282 1294764834 /nfs/dbraw/zinc/76/48/34/1294764834.db2.gz NTPHDCAHUAJYPM-RYRKJORJSA-N 2 2 358.442 0.902 20 0 FCADLP Cc1ccc(CN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001690942246 1294892360 /nfs/dbraw/zinc/89/23/60/1294892360.db2.gz UUEWXRCASYRCRU-NVXWUHKLSA-N 2 2 364.490 0.935 20 0 FCADLP Cc1ccc(CN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001690942246 1294892376 /nfs/dbraw/zinc/89/23/76/1294892376.db2.gz UUEWXRCASYRCRU-NVXWUHKLSA-N 2 2 364.490 0.935 20 0 FCADLP Cc1ccc(CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)o1 ZINC001690942246 1294892386 /nfs/dbraw/zinc/89/23/86/1294892386.db2.gz UUEWXRCASYRCRU-NVXWUHKLSA-N 2 2 364.490 0.935 20 0 FCADLP Cc1ccc(CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)o1 ZINC001690942246 1294892402 /nfs/dbraw/zinc/89/24/02/1294892402.db2.gz UUEWXRCASYRCRU-NVXWUHKLSA-N 2 2 364.490 0.935 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC001691493361 1294897756 /nfs/dbraw/zinc/89/77/56/1294897756.db2.gz JEQHLIAJDOLYJT-GVDBMIGSSA-N 2 2 362.474 0.959 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NCc1ccco1 ZINC001691493361 1294897768 /nfs/dbraw/zinc/89/77/68/1294897768.db2.gz JEQHLIAJDOLYJT-GVDBMIGSSA-N 2 2 362.474 0.959 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NCc1ccco1 ZINC001691493361 1294897780 /nfs/dbraw/zinc/89/77/80/1294897780.db2.gz JEQHLIAJDOLYJT-GVDBMIGSSA-N 2 2 362.474 0.959 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NCc1ccco1 ZINC001691493361 1294897793 /nfs/dbraw/zinc/89/77/93/1294897793.db2.gz JEQHLIAJDOLYJT-GVDBMIGSSA-N 2 2 362.474 0.959 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3C[NH2+]C4)CC2)C1 ZINC001164870312 721268774 /nfs/dbraw/zinc/26/87/74/721268774.db2.gz VQATVTXLSKEGMU-UHFFFAOYSA-N 2 2 374.489 0.087 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3C[NH2+]C4)CC2)C1 ZINC001164870312 721268775 /nfs/dbraw/zinc/26/87/75/721268775.db2.gz VQATVTXLSKEGMU-UHFFFAOYSA-N 2 2 374.489 0.087 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001065714779 837409722 /nfs/dbraw/zinc/40/97/22/837409722.db2.gz ACSLJKMBFFAXCG-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097186 837617027 /nfs/dbraw/zinc/61/70/27/837617027.db2.gz GGWPATDZKASRRC-YUELXQCFSA-N 2 2 361.475 0.228 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097186 837617029 /nfs/dbraw/zinc/61/70/29/837617029.db2.gz GGWPATDZKASRRC-YUELXQCFSA-N 2 2 361.475 0.228 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097186 837617031 /nfs/dbraw/zinc/61/70/31/837617031.db2.gz GGWPATDZKASRRC-YUELXQCFSA-N 2 2 361.475 0.228 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097186 837617035 /nfs/dbraw/zinc/61/70/35/837617035.db2.gz GGWPATDZKASRRC-YUELXQCFSA-N 2 2 361.475 0.228 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070284582 837642963 /nfs/dbraw/zinc/64/29/63/837642963.db2.gz KTCKAITWYYIPHI-CABCVRRESA-N 2 2 357.443 0.847 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3nccs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327216 837647225 /nfs/dbraw/zinc/64/72/25/837647225.db2.gz XZFKOXKDINLZES-MCIONIFRSA-N 2 2 361.475 0.228 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3nccs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327216 837647227 /nfs/dbraw/zinc/64/72/27/837647227.db2.gz XZFKOXKDINLZES-MCIONIFRSA-N 2 2 361.475 0.228 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC001072754955 837743321 /nfs/dbraw/zinc/74/33/21/837743321.db2.gz MLOFOPSQTHLCLV-LSDHHAIUSA-N 2 2 357.520 0.296 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC001072754955 837743330 /nfs/dbraw/zinc/74/33/30/837743330.db2.gz MLOFOPSQTHLCLV-LSDHHAIUSA-N 2 2 357.520 0.296 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001072754955 837743337 /nfs/dbraw/zinc/74/33/37/837743337.db2.gz MLOFOPSQTHLCLV-LSDHHAIUSA-N 2 2 357.520 0.296 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC001072754955 837743342 /nfs/dbraw/zinc/74/33/42/837743342.db2.gz MLOFOPSQTHLCLV-LSDHHAIUSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnns2)C3)O1 ZINC001072849344 837744458 /nfs/dbraw/zinc/74/44/58/837744458.db2.gz AVKQTSCRNLKCML-TZMCWYRMSA-N 2 2 351.476 0.292 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnns2)C3)O1 ZINC001072849344 837744470 /nfs/dbraw/zinc/74/44/70/837744470.db2.gz AVKQTSCRNLKCML-TZMCWYRMSA-N 2 2 351.476 0.292 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2cnns2)C3)O1 ZINC001072849344 837744478 /nfs/dbraw/zinc/74/44/78/837744478.db2.gz AVKQTSCRNLKCML-TZMCWYRMSA-N 2 2 351.476 0.292 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2cnns2)C3)O1 ZINC001072849344 837744483 /nfs/dbraw/zinc/74/44/83/837744483.db2.gz AVKQTSCRNLKCML-TZMCWYRMSA-N 2 2 351.476 0.292 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001099333000 844029655 /nfs/dbraw/zinc/02/96/55/844029655.db2.gz MMPWWWIQIWXPPS-IACUBPJLSA-N 2 2 360.380 0.978 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099342627 844035439 /nfs/dbraw/zinc/03/54/39/844035439.db2.gz QUPDVVLWGOTQFF-YNEHKIRRSA-N 2 2 355.376 0.903 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382760880 836051235 /nfs/dbraw/zinc/05/12/35/836051235.db2.gz JPAYEZYHTGJWSE-RDJZCZTQSA-N 2 2 367.515 0.871 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382760880 836051250 /nfs/dbraw/zinc/05/12/50/836051250.db2.gz JPAYEZYHTGJWSE-RDJZCZTQSA-N 2 2 367.515 0.871 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000747468932 836244906 /nfs/dbraw/zinc/24/49/06/836244906.db2.gz BNXVDRTWVMWLED-CQSZACIVSA-N 2 2 354.451 0.576 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000747468932 836244916 /nfs/dbraw/zinc/24/49/16/836244916.db2.gz BNXVDRTWVMWLED-CQSZACIVSA-N 2 2 354.451 0.576 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747669057 836255140 /nfs/dbraw/zinc/25/51/40/836255140.db2.gz IPDRHJPTIKESNR-UHFFFAOYSA-N 2 2 356.536 0.380 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)s1 ZINC001075643694 837876651 /nfs/dbraw/zinc/87/66/51/837876651.db2.gz IDJDILUYHNALLU-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)s1 ZINC001075643694 837876658 /nfs/dbraw/zinc/87/66/58/837876658.db2.gz IDJDILUYHNALLU-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)s1 ZINC001075643694 837876666 /nfs/dbraw/zinc/87/66/66/837876666.db2.gz IDJDILUYHNALLU-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)s1 ZINC001075643694 837876672 /nfs/dbraw/zinc/87/66/72/837876672.db2.gz IDJDILUYHNALLU-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643535 837876990 /nfs/dbraw/zinc/87/69/90/837876990.db2.gz BGMAQDYULUFZRW-KSZLIROESA-N 2 2 351.491 0.666 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643535 837877010 /nfs/dbraw/zinc/87/70/10/837877010.db2.gz BGMAQDYULUFZRW-KSZLIROESA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643535 837877012 /nfs/dbraw/zinc/87/70/12/837877012.db2.gz BGMAQDYULUFZRW-KSZLIROESA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643535 837877025 /nfs/dbraw/zinc/87/70/25/837877025.db2.gz BGMAQDYULUFZRW-KSZLIROESA-N 2 2 351.491 0.666 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001076461945 838004918 /nfs/dbraw/zinc/00/49/18/838004918.db2.gz CGFJOSRYWNALGH-CFVMTHIKSA-N 2 2 354.401 0.920 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]21 ZINC001076461945 838004933 /nfs/dbraw/zinc/00/49/33/838004933.db2.gz CGFJOSRYWNALGH-CFVMTHIKSA-N 2 2 354.401 0.920 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834121 838127527 /nfs/dbraw/zinc/12/75/27/838127527.db2.gz FMXIYWRYSLKHLD-BRWVUGGUSA-N 2 2 351.422 0.148 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834121 838127529 /nfs/dbraw/zinc/12/75/29/838127529.db2.gz FMXIYWRYSLKHLD-BRWVUGGUSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834121 838127531 /nfs/dbraw/zinc/12/75/31/838127531.db2.gz FMXIYWRYSLKHLD-BRWVUGGUSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001076834121 838127539 /nfs/dbraw/zinc/12/75/39/838127539.db2.gz FMXIYWRYSLKHLD-BRWVUGGUSA-N 2 2 351.422 0.148 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001076987222 838196251 /nfs/dbraw/zinc/19/62/51/838196251.db2.gz HGMGZQDKYPSAML-OWCLPIDISA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC001076987222 838196258 /nfs/dbraw/zinc/19/62/58/838196258.db2.gz HGMGZQDKYPSAML-OWCLPIDISA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001076987222 838196264 /nfs/dbraw/zinc/19/62/64/838196264.db2.gz HGMGZQDKYPSAML-OWCLPIDISA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001076987222 838196268 /nfs/dbraw/zinc/19/62/68/838196268.db2.gz HGMGZQDKYPSAML-OWCLPIDISA-N 2 2 350.463 0.826 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)c[nH+]1 ZINC001077217679 838821364 /nfs/dbraw/zinc/82/13/64/838821364.db2.gz AXGDLMMKPWUTCB-BZUAXINKSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)c[nH+]1 ZINC001077217679 838821370 /nfs/dbraw/zinc/82/13/70/838821370.db2.gz AXGDLMMKPWUTCB-BZUAXINKSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077236697 838840137 /nfs/dbraw/zinc/84/01/37/838840137.db2.gz PXNGXXCWHLFVGS-RBSFLKMASA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077236697 838840153 /nfs/dbraw/zinc/84/01/53/838840153.db2.gz PXNGXXCWHLFVGS-RBSFLKMASA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236697 838840165 /nfs/dbraw/zinc/84/01/65/838840165.db2.gz PXNGXXCWHLFVGS-RBSFLKMASA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236697 838840171 /nfs/dbraw/zinc/84/01/71/838840171.db2.gz PXNGXXCWHLFVGS-RBSFLKMASA-N 2 2 352.504 0.640 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001102097889 844415728 /nfs/dbraw/zinc/41/57/28/844415728.db2.gz JXTYWALJJGFOTQ-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001102097889 844415734 /nfs/dbraw/zinc/41/57/34/844415734.db2.gz JXTYWALJJGFOTQ-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1O ZINC001078007201 839290240 /nfs/dbraw/zinc/29/02/40/839290240.db2.gz LYSZUTQATKFXGZ-NWANDNLSSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1O ZINC001078007201 839290257 /nfs/dbraw/zinc/29/02/57/839290257.db2.gz LYSZUTQATKFXGZ-NWANDNLSSA-N 2 2 356.417 0.949 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174624 839379479 /nfs/dbraw/zinc/37/94/79/839379479.db2.gz QOLQRXJAMWZPCL-RBSFLKMASA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174624 839379492 /nfs/dbraw/zinc/37/94/92/839379492.db2.gz QOLQRXJAMWZPCL-RBSFLKMASA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174624 839379506 /nfs/dbraw/zinc/37/95/06/839379506.db2.gz QOLQRXJAMWZPCL-RBSFLKMASA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174624 839379518 /nfs/dbraw/zinc/37/95/18/839379518.db2.gz QOLQRXJAMWZPCL-RBSFLKMASA-N 2 2 350.463 0.719 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@H]1O ZINC001078179871 839383268 /nfs/dbraw/zinc/38/32/68/839383268.db2.gz BNSMQCCXTVWTSS-HZPDHXFCSA-N 2 2 367.877 0.976 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@H]1O ZINC001078179871 839383279 /nfs/dbraw/zinc/38/32/79/839383279.db2.gz BNSMQCCXTVWTSS-HZPDHXFCSA-N 2 2 367.877 0.976 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209980 839404977 /nfs/dbraw/zinc/40/49/77/839404977.db2.gz PYMBMCYPGJBPAP-RBSFLKMASA-N 2 2 368.503 0.142 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209980 839404982 /nfs/dbraw/zinc/40/49/82/839404982.db2.gz PYMBMCYPGJBPAP-RBSFLKMASA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209980 839404985 /nfs/dbraw/zinc/40/49/85/839404985.db2.gz PYMBMCYPGJBPAP-RBSFLKMASA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209980 839404988 /nfs/dbraw/zinc/40/49/88/839404988.db2.gz PYMBMCYPGJBPAP-RBSFLKMASA-N 2 2 368.503 0.142 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001078229343 839419136 /nfs/dbraw/zinc/41/91/36/839419136.db2.gz DRLUCAXEUWZUJL-OWCLPIDISA-N 2 2 352.504 0.721 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@H]1O ZINC001078229343 839419146 /nfs/dbraw/zinc/41/91/46/839419146.db2.gz DRLUCAXEUWZUJL-OWCLPIDISA-N 2 2 352.504 0.721 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001078229343 839419154 /nfs/dbraw/zinc/41/91/54/839419154.db2.gz DRLUCAXEUWZUJL-OWCLPIDISA-N 2 2 352.504 0.721 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001078229343 839419161 /nfs/dbraw/zinc/41/91/61/839419161.db2.gz DRLUCAXEUWZUJL-OWCLPIDISA-N 2 2 352.504 0.721 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC001078405717 839457669 /nfs/dbraw/zinc/45/76/69/839457669.db2.gz WAGJXKKXYGRTSX-BPLDGKMQSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC001078405717 839457678 /nfs/dbraw/zinc/45/76/78/839457678.db2.gz WAGJXKKXYGRTSX-BPLDGKMQSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001078418579 839461345 /nfs/dbraw/zinc/46/13/45/839461345.db2.gz RSTDGTOOZJAPOO-FVQBIDKESA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001078418579 839461348 /nfs/dbraw/zinc/46/13/48/839461348.db2.gz RSTDGTOOZJAPOO-FVQBIDKESA-N 2 2 368.503 0.569 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079525985 839540869 /nfs/dbraw/zinc/54/08/69/839540869.db2.gz GKLZJVGTBZAMOC-CSMYWGQOSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079525985 839540874 /nfs/dbraw/zinc/54/08/74/839540874.db2.gz GKLZJVGTBZAMOC-CSMYWGQOSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079525985 839540881 /nfs/dbraw/zinc/54/08/81/839540881.db2.gz GKLZJVGTBZAMOC-CSMYWGQOSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079525985 839540891 /nfs/dbraw/zinc/54/08/91/839540891.db2.gz GKLZJVGTBZAMOC-CSMYWGQOSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001080177315 839678140 /nfs/dbraw/zinc/67/81/40/839678140.db2.gz GRKFOUZXKKEWCH-DDBAPUKQSA-N 2 2 351.491 0.713 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001080177315 839678146 /nfs/dbraw/zinc/67/81/46/839678146.db2.gz GRKFOUZXKKEWCH-DDBAPUKQSA-N 2 2 351.491 0.713 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001080667430 839774899 /nfs/dbraw/zinc/77/48/99/839774899.db2.gz DHDJBOOTJDMSLG-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001080667430 839774905 /nfs/dbraw/zinc/77/49/05/839774905.db2.gz DHDJBOOTJDMSLG-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943039 839839369 /nfs/dbraw/zinc/83/93/69/839839369.db2.gz MBTFBHYZLREBFH-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943039 839839375 /nfs/dbraw/zinc/83/93/75/839839375.db2.gz MBTFBHYZLREBFH-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947689 839839644 /nfs/dbraw/zinc/83/96/44/839839644.db2.gz IXZJFQDKKWHGSI-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947689 839839648 /nfs/dbraw/zinc/83/96/48/839839648.db2.gz IXZJFQDKKWHGSI-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2C)o1 ZINC001081025935 839870005 /nfs/dbraw/zinc/87/00/05/839870005.db2.gz FDJGPYREBPTJMI-UKRRQHHQSA-N 2 2 350.463 0.918 20 0 FCADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2C)o1 ZINC001081025935 839870012 /nfs/dbraw/zinc/87/00/12/839870012.db2.gz FDJGPYREBPTJMI-UKRRQHHQSA-N 2 2 350.463 0.918 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481560 839940524 /nfs/dbraw/zinc/94/05/24/839940524.db2.gz NCBJKBSQOIZZOY-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481560 839940530 /nfs/dbraw/zinc/94/05/30/839940530.db2.gz NCBJKBSQOIZZOY-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccsc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481560 839940535 /nfs/dbraw/zinc/94/05/35/839940535.db2.gz NCBJKBSQOIZZOY-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccsc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481560 839940540 /nfs/dbraw/zinc/94/05/40/839940540.db2.gz NCBJKBSQOIZZOY-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949194 840119491 /nfs/dbraw/zinc/11/94/91/840119491.db2.gz CVSTVPHCIYPRGL-MCIONIFRSA-N 2 2 358.389 0.431 20 0 FCADLP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949194 840119502 /nfs/dbraw/zinc/11/95/02/840119502.db2.gz CVSTVPHCIYPRGL-MCIONIFRSA-N 2 2 358.389 0.431 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959809 840123627 /nfs/dbraw/zinc/12/36/27/840123627.db2.gz YWWOYPRDTLUOAT-AZKVGPRHSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959809 840123638 /nfs/dbraw/zinc/12/36/38/840123638.db2.gz YWWOYPRDTLUOAT-AZKVGPRHSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959809 840123650 /nfs/dbraw/zinc/12/36/50/840123650.db2.gz YWWOYPRDTLUOAT-AZKVGPRHSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959809 840123663 /nfs/dbraw/zinc/12/36/63/840123663.db2.gz YWWOYPRDTLUOAT-AZKVGPRHSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133604 840201782 /nfs/dbraw/zinc/20/17/82/840201782.db2.gz JQRCJMXBRHDWGQ-FVQBIDKESA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133604 840201793 /nfs/dbraw/zinc/20/17/93/840201793.db2.gz JQRCJMXBRHDWGQ-FVQBIDKESA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133604 840201803 /nfs/dbraw/zinc/20/18/03/840201803.db2.gz JQRCJMXBRHDWGQ-FVQBIDKESA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133604 840201809 /nfs/dbraw/zinc/20/18/09/840201809.db2.gz JQRCJMXBRHDWGQ-FVQBIDKESA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133605 840202214 /nfs/dbraw/zinc/20/22/14/840202214.db2.gz JQRCJMXBRHDWGQ-NUEKZKHPSA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133605 840202225 /nfs/dbraw/zinc/20/22/25/840202225.db2.gz JQRCJMXBRHDWGQ-NUEKZKHPSA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133605 840202234 /nfs/dbraw/zinc/20/22/34/840202234.db2.gz JQRCJMXBRHDWGQ-NUEKZKHPSA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133605 840202239 /nfs/dbraw/zinc/20/22/39/840202239.db2.gz JQRCJMXBRHDWGQ-NUEKZKHPSA-N 2 2 352.504 0.985 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102473881 844516469 /nfs/dbraw/zinc/51/64/69/844516469.db2.gz VDIWZLRDIPVXAO-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102473881 844516474 /nfs/dbraw/zinc/51/64/74/844516474.db2.gz VDIWZLRDIPVXAO-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482999 844521071 /nfs/dbraw/zinc/52/10/71/844521071.db2.gz SHIFZMKEHODPMG-MGPQQGTHSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482999 844521080 /nfs/dbraw/zinc/52/10/80/844521080.db2.gz SHIFZMKEHODPMG-MGPQQGTHSA-N 2 2 354.476 0.071 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346087 840329607 /nfs/dbraw/zinc/32/96/07/840329607.db2.gz PDIDOSFZHAVUHC-NUEKZKHPSA-N 2 2 350.463 0.891 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346087 840329616 /nfs/dbraw/zinc/32/96/16/840329616.db2.gz PDIDOSFZHAVUHC-NUEKZKHPSA-N 2 2 350.463 0.891 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379208 840368763 /nfs/dbraw/zinc/36/87/63/840368763.db2.gz NIROSPVIONSSEY-OAGGEKHMSA-N 2 2 353.488 0.784 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379208 840368770 /nfs/dbraw/zinc/36/87/70/840368770.db2.gz NIROSPVIONSSEY-OAGGEKHMSA-N 2 2 353.488 0.784 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379208 840368779 /nfs/dbraw/zinc/36/87/79/840368779.db2.gz NIROSPVIONSSEY-OAGGEKHMSA-N 2 2 353.488 0.784 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379208 840368786 /nfs/dbraw/zinc/36/87/86/840368786.db2.gz NIROSPVIONSSEY-OAGGEKHMSA-N 2 2 353.488 0.784 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379207 840369270 /nfs/dbraw/zinc/36/92/70/840369270.db2.gz NIROSPVIONSSEY-BZUAXINKSA-N 2 2 353.488 0.784 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379207 840369279 /nfs/dbraw/zinc/36/92/79/840369279.db2.gz NIROSPVIONSSEY-BZUAXINKSA-N 2 2 353.488 0.784 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379207 840369288 /nfs/dbraw/zinc/36/92/88/840369288.db2.gz NIROSPVIONSSEY-BZUAXINKSA-N 2 2 353.488 0.784 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2OC)C1 ZINC001082379207 840369298 /nfs/dbraw/zinc/36/92/98/840369298.db2.gz NIROSPVIONSSEY-BZUAXINKSA-N 2 2 353.488 0.784 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)n1 ZINC001082447969 840415104 /nfs/dbraw/zinc/41/51/04/840415104.db2.gz ZFVTVYLNCKCNBN-MCIONIFRSA-N 2 2 351.451 0.289 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)n1 ZINC001082447969 840415110 /nfs/dbraw/zinc/41/51/10/840415110.db2.gz ZFVTVYLNCKCNBN-MCIONIFRSA-N 2 2 351.451 0.289 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513240 844544963 /nfs/dbraw/zinc/54/49/63/844544963.db2.gz BAZGAIPOGOYYBQ-BZPMIXESSA-N 2 2 362.396 0.960 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513240 844544964 /nfs/dbraw/zinc/54/49/64/844544964.db2.gz BAZGAIPOGOYYBQ-BZPMIXESSA-N 2 2 362.396 0.960 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703125 840530540 /nfs/dbraw/zinc/53/05/40/840530540.db2.gz ZJUQIVZWNZCKCX-YUELXQCFSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703125 840530555 /nfs/dbraw/zinc/53/05/55/840530555.db2.gz ZJUQIVZWNZCKCX-YUELXQCFSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082807400 840570306 /nfs/dbraw/zinc/57/03/06/840570306.db2.gz FVJZEZPRURBMPC-UMVBOHGHSA-N 2 2 350.467 0.333 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001082921816 840603886 /nfs/dbraw/zinc/60/38/86/840603886.db2.gz LSLZDZMHEHGZKX-HZSPNIEDSA-N 2 2 351.451 0.809 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035120 840667846 /nfs/dbraw/zinc/66/78/46/840667846.db2.gz FMNAWGXQKISDPL-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035120 840667850 /nfs/dbraw/zinc/66/78/50/840667850.db2.gz FMNAWGXQKISDPL-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035120 840667852 /nfs/dbraw/zinc/66/78/52/840667852.db2.gz FMNAWGXQKISDPL-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035120 840667857 /nfs/dbraw/zinc/66/78/57/840667857.db2.gz FMNAWGXQKISDPL-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083127008 840734317 /nfs/dbraw/zinc/73/43/17/840734317.db2.gz UPTOOGNWLGAPLC-VBNZEHGJSA-N 2 2 352.435 0.296 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083127008 840734328 /nfs/dbraw/zinc/73/43/28/840734328.db2.gz UPTOOGNWLGAPLC-VBNZEHGJSA-N 2 2 352.435 0.296 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1)OC ZINC001083151491 840754335 /nfs/dbraw/zinc/75/43/35/840754335.db2.gz BUPPPKXDESHYII-OWCLPIDISA-N 2 2 350.463 0.689 20 0 FCADLP CC[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1)OC ZINC001083151491 840754345 /nfs/dbraw/zinc/75/43/45/840754345.db2.gz BUPPPKXDESHYII-OWCLPIDISA-N 2 2 350.463 0.689 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cncs4)C[C@@H]32)CC1 ZINC001083182964 840780645 /nfs/dbraw/zinc/78/06/45/840780645.db2.gz GTCOBIQNRGSUCO-JKSUJKDBSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cncs4)C[C@@H]32)CC1 ZINC001083182964 840780655 /nfs/dbraw/zinc/78/06/55/840780655.db2.gz GTCOBIQNRGSUCO-JKSUJKDBSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)s1 ZINC001083249113 840833955 /nfs/dbraw/zinc/83/39/55/840833955.db2.gz NWAKASDKQQBCTJ-JKSUJKDBSA-N 2 2 362.499 0.959 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)s1 ZINC001083249113 840833965 /nfs/dbraw/zinc/83/39/65/840833965.db2.gz NWAKASDKQQBCTJ-JKSUJKDBSA-N 2 2 362.499 0.959 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001083275964 840859111 /nfs/dbraw/zinc/85/91/11/840859111.db2.gz GIEXJRXNXOOCBG-MXQSGXODSA-N 2 2 357.882 0.619 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001083275964 840859124 /nfs/dbraw/zinc/85/91/24/840859124.db2.gz GIEXJRXNXOOCBG-MXQSGXODSA-N 2 2 357.882 0.619 20 0 FCADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)o1 ZINC001083289148 840871073 /nfs/dbraw/zinc/87/10/73/840871073.db2.gz UITKCJFQSGDQHY-DOTOQJQBSA-N 2 2 351.447 0.639 20 0 FCADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)o1 ZINC001083289148 840871082 /nfs/dbraw/zinc/87/10/82/840871082.db2.gz UITKCJFQSGDQHY-DOTOQJQBSA-N 2 2 351.447 0.639 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595264 844585482 /nfs/dbraw/zinc/58/54/82/844585482.db2.gz DTEQEVMOVATNMP-VNHYZAJKSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595264 844585491 /nfs/dbraw/zinc/58/54/91/844585491.db2.gz DTEQEVMOVATNMP-VNHYZAJKSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595264 844585496 /nfs/dbraw/zinc/58/54/96/844585496.db2.gz DTEQEVMOVATNMP-VNHYZAJKSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595264 844585500 /nfs/dbraw/zinc/58/55/00/844585500.db2.gz DTEQEVMOVATNMP-VNHYZAJKSA-N 2 2 364.515 0.664 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465541 841036252 /nfs/dbraw/zinc/03/62/52/841036252.db2.gz IKBPSYOUJKFFSZ-OAGGEKHMSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465541 841036258 /nfs/dbraw/zinc/03/62/58/841036258.db2.gz IKBPSYOUJKFFSZ-OAGGEKHMSA-N 2 2 350.488 0.455 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472993 841048311 /nfs/dbraw/zinc/04/83/11/841048311.db2.gz BQZISYJWBCUOMD-XOUADPBQSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472993 841048322 /nfs/dbraw/zinc/04/83/22/841048322.db2.gz BQZISYJWBCUOMD-XOUADPBQSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472993 841048328 /nfs/dbraw/zinc/04/83/28/841048328.db2.gz BQZISYJWBCUOMD-XOUADPBQSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472993 841048338 /nfs/dbraw/zinc/04/83/38/841048338.db2.gz BQZISYJWBCUOMD-XOUADPBQSA-N 2 2 350.463 0.547 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518918 841115016 /nfs/dbraw/zinc/11/50/16/841115016.db2.gz WLSPTVULZCOKFY-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518918 841115023 /nfs/dbraw/zinc/11/50/23/841115023.db2.gz WLSPTVULZCOKFY-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518918 841115026 /nfs/dbraw/zinc/11/50/26/841115026.db2.gz WLSPTVULZCOKFY-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518918 841115031 /nfs/dbraw/zinc/11/50/31/841115031.db2.gz WLSPTVULZCOKFY-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)s1 ZINC001083668618 841293339 /nfs/dbraw/zinc/29/33/39/841293339.db2.gz XYVUYADZETUSGS-IXDOHACOSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)s1 ZINC001083668618 841293348 /nfs/dbraw/zinc/29/33/48/841293348.db2.gz XYVUYADZETUSGS-IXDOHACOSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908443 841555254 /nfs/dbraw/zinc/55/52/54/841555254.db2.gz DHPXWFGOYDFSOI-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908443 841555262 /nfs/dbraw/zinc/55/52/62/841555262.db2.gz DHPXWFGOYDFSOI-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083953886 841599938 /nfs/dbraw/zinc/59/99/38/841599938.db2.gz AXGKXIICFGZSMR-UHTWSYAYSA-N 2 2 361.273 0.708 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083953886 841599941 /nfs/dbraw/zinc/59/99/41/841599941.db2.gz AXGKXIICFGZSMR-UHTWSYAYSA-N 2 2 361.273 0.708 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001083954038 841601124 /nfs/dbraw/zinc/60/11/24/841601124.db2.gz HYSOAFUTPAMKAF-CABCVRRESA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001083954038 841601130 /nfs/dbraw/zinc/60/11/30/841601130.db2.gz HYSOAFUTPAMKAF-CABCVRRESA-N 2 2 356.417 0.949 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001084058283 841672428 /nfs/dbraw/zinc/67/24/28/841672428.db2.gz SREBZLRCXAQKHR-CVEARBPZSA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001084058283 841672435 /nfs/dbraw/zinc/67/24/35/841672435.db2.gz SREBZLRCXAQKHR-CVEARBPZSA-N 2 2 351.422 0.462 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091868 841701251 /nfs/dbraw/zinc/70/12/51/841701251.db2.gz SWPIXKHZHUNZKO-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091868 841701261 /nfs/dbraw/zinc/70/12/61/841701261.db2.gz SWPIXKHZHUNZKO-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091868 841701268 /nfs/dbraw/zinc/70/12/68/841701268.db2.gz SWPIXKHZHUNZKO-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091868 841701279 /nfs/dbraw/zinc/70/12/79/841701279.db2.gz SWPIXKHZHUNZKO-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409921 841789420 /nfs/dbraw/zinc/78/94/20/841789420.db2.gz PAHZSRQGZSHZDJ-ZMSDIMECSA-N 2 2 369.531 0.438 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409921 841789431 /nfs/dbraw/zinc/78/94/31/841789431.db2.gz PAHZSRQGZSHZDJ-ZMSDIMECSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409921 841789439 /nfs/dbraw/zinc/78/94/39/841789439.db2.gz PAHZSRQGZSHZDJ-ZMSDIMECSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409921 841789447 /nfs/dbraw/zinc/78/94/47/841789447.db2.gz PAHZSRQGZSHZDJ-ZMSDIMECSA-N 2 2 369.531 0.438 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738793 841905054 /nfs/dbraw/zinc/90/50/54/841905054.db2.gz CIKAWMDQIHSRBO-GVDBMIGSSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738793 841905061 /nfs/dbraw/zinc/90/50/61/841905061.db2.gz CIKAWMDQIHSRBO-GVDBMIGSSA-N 2 2 350.507 0.728 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084844247 841932600 /nfs/dbraw/zinc/93/26/00/841932600.db2.gz LQKNOKBOBBLTFV-OIISXLGYSA-N 2 2 364.515 0.939 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084844247 841932609 /nfs/dbraw/zinc/93/26/09/841932609.db2.gz LQKNOKBOBBLTFV-OIISXLGYSA-N 2 2 364.515 0.939 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084844247 841932616 /nfs/dbraw/zinc/93/26/16/841932616.db2.gz LQKNOKBOBBLTFV-OIISXLGYSA-N 2 2 364.515 0.939 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084844247 841932622 /nfs/dbraw/zinc/93/26/22/841932622.db2.gz LQKNOKBOBBLTFV-OIISXLGYSA-N 2 2 364.515 0.939 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085105996 842021081 /nfs/dbraw/zinc/02/10/81/842021081.db2.gz ZZKUBUDYCHTDHH-XHSDSOJGSA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085105996 842021097 /nfs/dbraw/zinc/02/10/97/842021097.db2.gz ZZKUBUDYCHTDHH-XHSDSOJGSA-N 2 2 366.487 0.241 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC001085159346 842030696 /nfs/dbraw/zinc/03/06/96/842030696.db2.gz QFGZZTOMFJVYJZ-MCIONIFRSA-N 2 2 367.519 0.948 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001085159346 842030705 /nfs/dbraw/zinc/03/07/05/842030705.db2.gz QFGZZTOMFJVYJZ-MCIONIFRSA-N 2 2 367.519 0.948 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnon2)C1 ZINC001085308653 842073492 /nfs/dbraw/zinc/07/34/92/842073492.db2.gz BQFQBNDQJKPJFZ-OAGGEKHMSA-N 2 2 351.451 0.696 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnon2)C1 ZINC001085308653 842073502 /nfs/dbraw/zinc/07/35/02/842073502.db2.gz BQFQBNDQJKPJFZ-OAGGEKHMSA-N 2 2 351.451 0.696 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001085605902 842107635 /nfs/dbraw/zinc/10/76/35/842107635.db2.gz XFCUKLNBARFAFA-DJIMGWMZSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001085605902 842107639 /nfs/dbraw/zinc/10/76/39/842107639.db2.gz XFCUKLNBARFAFA-DJIMGWMZSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001085605902 842107641 /nfs/dbraw/zinc/10/76/41/842107641.db2.gz XFCUKLNBARFAFA-DJIMGWMZSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001085605902 842107644 /nfs/dbraw/zinc/10/76/44/842107644.db2.gz XFCUKLNBARFAFA-DJIMGWMZSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001085605032 842107720 /nfs/dbraw/zinc/10/77/20/842107720.db2.gz YRYSUNKOMUWYNY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001085605032 842107722 /nfs/dbraw/zinc/10/77/22/842107722.db2.gz YRYSUNKOMUWYNY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001085605032 842107723 /nfs/dbraw/zinc/10/77/23/842107723.db2.gz YRYSUNKOMUWYNY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001085605032 842107724 /nfs/dbraw/zinc/10/77/24/842107724.db2.gz YRYSUNKOMUWYNY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCc1cnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086120711 842122298 /nfs/dbraw/zinc/12/22/98/842122298.db2.gz KFAOGEPNWFZKCN-HGTKMLMNSA-N 2 2 350.463 0.941 20 0 FCADLP CCc1cnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086120711 842122304 /nfs/dbraw/zinc/12/23/04/842122304.db2.gz KFAOGEPNWFZKCN-HGTKMLMNSA-N 2 2 350.463 0.941 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400395 842130578 /nfs/dbraw/zinc/13/05/78/842130578.db2.gz FRGCRAYFFRIFQH-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400395 842130586 /nfs/dbraw/zinc/13/05/86/842130586.db2.gz FRGCRAYFFRIFQH-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)oc1C ZINC001086664408 842145059 /nfs/dbraw/zinc/14/50/59/842145059.db2.gz NDPAUEOLQACVAQ-ARFHVFGLSA-N 2 2 350.463 0.997 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)oc1C ZINC001086664408 842145066 /nfs/dbraw/zinc/14/50/66/842145066.db2.gz NDPAUEOLQACVAQ-ARFHVFGLSA-N 2 2 350.463 0.997 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)s1 ZINC001086664800 842146362 /nfs/dbraw/zinc/14/63/62/842146362.db2.gz DWBMFTIKYZHLEP-MJBXVCDLSA-N 2 2 353.492 0.552 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)s1 ZINC001086664800 842146371 /nfs/dbraw/zinc/14/63/71/842146371.db2.gz DWBMFTIKYZHLEP-MJBXVCDLSA-N 2 2 353.492 0.552 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001087038777 842236731 /nfs/dbraw/zinc/23/67/31/842236731.db2.gz YYKXKIQOSBQRGB-RBSFLKMASA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001087038777 842236740 /nfs/dbraw/zinc/23/67/40/842236740.db2.gz YYKXKIQOSBQRGB-RBSFLKMASA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087098616 842287748 /nfs/dbraw/zinc/28/77/48/842287748.db2.gz DDONVXIPMDGSJI-IUODEOHRSA-N 2 2 364.475 0.765 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCc1ccns1 ZINC001087529785 842348005 /nfs/dbraw/zinc/34/80/05/842348005.db2.gz UGAWRTLJHMHJNQ-ARFHVFGLSA-N 2 2 352.504 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCc1ccns1 ZINC001087529785 842348016 /nfs/dbraw/zinc/34/80/16/842348016.db2.gz UGAWRTLJHMHJNQ-ARFHVFGLSA-N 2 2 352.504 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCc1ccns1 ZINC001087529785 842348027 /nfs/dbraw/zinc/34/80/27/842348027.db2.gz UGAWRTLJHMHJNQ-ARFHVFGLSA-N 2 2 352.504 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCc1ccns1 ZINC001087529785 842348040 /nfs/dbraw/zinc/34/80/40/842348040.db2.gz UGAWRTLJHMHJNQ-ARFHVFGLSA-N 2 2 352.504 0.985 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920469 842471375 /nfs/dbraw/zinc/47/13/75/842471375.db2.gz QDGWKIXGDXYBOR-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920469 842471377 /nfs/dbraw/zinc/47/13/77/842471377.db2.gz QDGWKIXGDXYBOR-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920469 842471381 /nfs/dbraw/zinc/47/13/81/842471381.db2.gz QDGWKIXGDXYBOR-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920469 842471385 /nfs/dbraw/zinc/47/13/85/842471385.db2.gz QDGWKIXGDXYBOR-YCPHGPKFSA-N 2 2 350.488 0.754 20 0 FCADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088053555 842517774 /nfs/dbraw/zinc/51/77/74/842517774.db2.gz NHZNJDKRSZPJAP-FGTMMUONSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088053555 842517780 /nfs/dbraw/zinc/51/77/80/842517780.db2.gz NHZNJDKRSZPJAP-FGTMMUONSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088053555 842517785 /nfs/dbraw/zinc/51/77/85/842517785.db2.gz NHZNJDKRSZPJAP-FGTMMUONSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088053555 842517789 /nfs/dbraw/zinc/51/77/89/842517789.db2.gz NHZNJDKRSZPJAP-FGTMMUONSA-N 2 2 351.491 0.260 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)CC[C@@H]2C1 ZINC001088052971 842518459 /nfs/dbraw/zinc/51/84/59/842518459.db2.gz OTZPKNFDYRWKQE-FGTMMUONSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)CC[C@@H]2C1 ZINC001088052971 842518467 /nfs/dbraw/zinc/51/84/67/842518467.db2.gz OTZPKNFDYRWKQE-FGTMMUONSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC)CC[C@@H]2C1 ZINC001088052971 842518473 /nfs/dbraw/zinc/51/84/73/842518473.db2.gz OTZPKNFDYRWKQE-FGTMMUONSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCOC)CC[C@@H]2C1 ZINC001088052971 842518475 /nfs/dbraw/zinc/51/84/75/842518475.db2.gz OTZPKNFDYRWKQE-FGTMMUONSA-N 2 2 353.507 0.914 20 0 FCADLP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506394 842592526 /nfs/dbraw/zinc/59/25/26/842592526.db2.gz SZZDWTODZYMMOV-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506394 842592537 /nfs/dbraw/zinc/59/25/37/842592537.db2.gz SZZDWTODZYMMOV-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506394 842592552 /nfs/dbraw/zinc/59/25/52/842592552.db2.gz SZZDWTODZYMMOV-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506394 842592565 /nfs/dbraw/zinc/59/25/65/842592565.db2.gz SZZDWTODZYMMOV-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)on1 ZINC001092523370 843226680 /nfs/dbraw/zinc/22/66/80/843226680.db2.gz HZSBZDXFBKVHHB-UMVBOHGHSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)on1 ZINC001092523370 843226691 /nfs/dbraw/zinc/22/66/91/843226691.db2.gz HZSBZDXFBKVHHB-UMVBOHGHSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)on1 ZINC001092523370 843226700 /nfs/dbraw/zinc/22/67/00/843226700.db2.gz HZSBZDXFBKVHHB-UMVBOHGHSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)on1 ZINC001092523370 843226713 /nfs/dbraw/zinc/22/67/13/843226713.db2.gz HZSBZDXFBKVHHB-UMVBOHGHSA-N 2 2 352.435 0.198 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910408 843338537 /nfs/dbraw/zinc/33/85/37/843338537.db2.gz CZEIPKWIBITPNM-BFYDXBDKSA-N 2 2 350.463 0.968 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910408 843338547 /nfs/dbraw/zinc/33/85/47/843338547.db2.gz CZEIPKWIBITPNM-BFYDXBDKSA-N 2 2 350.463 0.968 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910408 843338553 /nfs/dbraw/zinc/33/85/53/843338553.db2.gz CZEIPKWIBITPNM-BFYDXBDKSA-N 2 2 350.463 0.968 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001092910408 843338566 /nfs/dbraw/zinc/33/85/66/843338566.db2.gz CZEIPKWIBITPNM-BFYDXBDKSA-N 2 2 350.463 0.968 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208733 843406638 /nfs/dbraw/zinc/40/66/38/843406638.db2.gz CZTDVQCOKHSGBL-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208733 843406643 /nfs/dbraw/zinc/40/66/43/843406643.db2.gz CZTDVQCOKHSGBL-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208733 843406652 /nfs/dbraw/zinc/40/66/52/843406652.db2.gz CZTDVQCOKHSGBL-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208733 843406658 /nfs/dbraw/zinc/40/66/58/843406658.db2.gz CZTDVQCOKHSGBL-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211857 843409779 /nfs/dbraw/zinc/40/97/79/843409779.db2.gz GGFJCXKIBFMJEG-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211857 843409790 /nfs/dbraw/zinc/40/97/90/843409790.db2.gz GGFJCXKIBFMJEG-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211857 843409799 /nfs/dbraw/zinc/40/97/99/843409799.db2.gz GGFJCXKIBFMJEG-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211857 843409803 /nfs/dbraw/zinc/40/98/03/843409803.db2.gz GGFJCXKIBFMJEG-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454200 843436136 /nfs/dbraw/zinc/43/61/36/843436136.db2.gz AAHFUFRVDZRRTL-LMSBXDPUSA-N 2 2 350.463 0.232 20 0 FCADLP CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690475 843456033 /nfs/dbraw/zinc/45/60/33/843456033.db2.gz WHBKUQAKAFUCBT-FMKPAKJESA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690475 843456035 /nfs/dbraw/zinc/45/60/35/843456035.db2.gz WHBKUQAKAFUCBT-FMKPAKJESA-N 2 2 350.463 0.752 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001094114198 843518604 /nfs/dbraw/zinc/51/86/04/843518604.db2.gz ZDZBEKBXBGSNCI-ZIAGYGMSSA-N 2 2 353.492 0.445 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](C)C2)C1 ZINC001094232437 843538239 /nfs/dbraw/zinc/53/82/39/843538239.db2.gz VXMUBDLGVYCULD-BPLDGKMQSA-N 2 2 350.467 0.018 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](C)C2)C1 ZINC001094232437 843538244 /nfs/dbraw/zinc/53/82/44/843538244.db2.gz VXMUBDLGVYCULD-BPLDGKMQSA-N 2 2 350.467 0.018 20 0 FCADLP COCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276369579 861432908 /nfs/dbraw/zinc/43/29/08/861432908.db2.gz WFXNLLIZLQLPCZ-SFHVURJKSA-N 2 2 350.463 0.861 20 0 FCADLP COCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276369579 861432912 /nfs/dbraw/zinc/43/29/12/861432912.db2.gz WFXNLLIZLQLPCZ-SFHVURJKSA-N 2 2 350.463 0.861 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccns2)C3)C1 ZINC001098774065 843935461 /nfs/dbraw/zinc/93/54/61/843935461.db2.gz UEHWGLIABZAVPM-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccns2)C3)C1 ZINC001098774065 843935466 /nfs/dbraw/zinc/93/54/66/843935466.db2.gz UEHWGLIABZAVPM-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccns2)C3)C1 ZINC001098774065 843935469 /nfs/dbraw/zinc/93/54/69/843935469.db2.gz UEHWGLIABZAVPM-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccns2)C3)C1 ZINC001098774065 843935475 /nfs/dbraw/zinc/93/54/75/843935475.db2.gz UEHWGLIABZAVPM-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001276609638 861497643 /nfs/dbraw/zinc/49/76/43/861497643.db2.gz LBEVRAFQOWCCHQ-KSSFIOAISA-N 2 2 350.463 0.058 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001276609638 861497647 /nfs/dbraw/zinc/49/76/47/861497647.db2.gz LBEVRAFQOWCCHQ-KSSFIOAISA-N 2 2 350.463 0.058 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740564 844813497 /nfs/dbraw/zinc/81/34/97/844813497.db2.gz MKBOMZZYSSVKOF-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740564 844813499 /nfs/dbraw/zinc/81/34/99/844813499.db2.gz MKBOMZZYSSVKOF-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740564 844813505 /nfs/dbraw/zinc/81/35/05/844813505.db2.gz MKBOMZZYSSVKOF-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740564 844813510 /nfs/dbraw/zinc/81/35/10/844813510.db2.gz MKBOMZZYSSVKOF-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779699 844821662 /nfs/dbraw/zinc/82/16/62/844821662.db2.gz DCHKIOJVCZQYGH-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779699 844821670 /nfs/dbraw/zinc/82/16/70/844821670.db2.gz DCHKIOJVCZQYGH-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)no1 ZINC001104033762 844856202 /nfs/dbraw/zinc/85/62/02/844856202.db2.gz GOYCXSWYTLDMQD-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)no1 ZINC001104033762 844856206 /nfs/dbraw/zinc/85/62/06/844856206.db2.gz GOYCXSWYTLDMQD-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1CC[NH2+]CCO ZINC001104744972 844937177 /nfs/dbraw/zinc/93/71/77/844937177.db2.gz AWEXQQTVXDEBSX-IAGOWNOFSA-N 2 2 353.507 0.698 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105655354 845010508 /nfs/dbraw/zinc/01/05/08/845010508.db2.gz HRRQVAGGESPVMW-LMSBXDPUSA-N 2 2 350.463 0.565 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105661364 845011705 /nfs/dbraw/zinc/01/17/05/845011705.db2.gz HZPJSZBNHSBPIO-KNCCTNLNSA-N 2 2 350.463 0.565 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105661361 845011816 /nfs/dbraw/zinc/01/18/16/845011816.db2.gz HZPJSZBNHSBPIO-DTDBQYNISA-N 2 2 350.463 0.565 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C2)c[nH+]1 ZINC001106307881 845151969 /nfs/dbraw/zinc/15/19/69/845151969.db2.gz SHLTZFBVAHFSMS-UKRRQHHQSA-N 2 2 370.519 0.655 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001106704940 845228760 /nfs/dbraw/zinc/22/87/60/845228760.db2.gz KBMRVMJMAGIXEM-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705098 845228889 /nfs/dbraw/zinc/22/88/89/845228889.db2.gz QXYKUEKFTWPITA-HUUCEWRRSA-N 2 2 370.519 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001107078237 845326693 /nfs/dbraw/zinc/32/66/93/845326693.db2.gz FGRFWRGQACNKOB-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107655303 845416858 /nfs/dbraw/zinc/41/68/58/845416858.db2.gz VRDMAOGDSWQUKC-GDBMZVCRSA-N 2 2 354.476 0.289 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107655303 845416865 /nfs/dbraw/zinc/41/68/65/845416865.db2.gz VRDMAOGDSWQUKC-GDBMZVCRSA-N 2 2 354.476 0.289 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276758306 861585464 /nfs/dbraw/zinc/58/54/64/861585464.db2.gz WTCQPUSUIQAUIB-SFHVURJKSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276758306 861585469 /nfs/dbraw/zinc/58/54/69/861585469.db2.gz WTCQPUSUIQAUIB-SFHVURJKSA-N 2 2 355.479 0.252 20 0 FCADLP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276757074 861585938 /nfs/dbraw/zinc/58/59/38/861585938.db2.gz OCJJZUZJEBTUQI-GOSISDBHSA-N 2 2 353.463 0.541 20 0 FCADLP COC(CN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O)OC ZINC001276757074 861585952 /nfs/dbraw/zinc/58/59/52/861585952.db2.gz OCJJZUZJEBTUQI-GOSISDBHSA-N 2 2 353.463 0.541 20 0 FCADLP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2)S(C)(=O)=O ZINC001109403512 845645013 /nfs/dbraw/zinc/64/50/13/845645013.db2.gz KRRLGHCNOOOLOO-ILXRZTDVSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2)S(C)(=O)=O ZINC001109403512 845645007 /nfs/dbraw/zinc/64/50/07/845645007.db2.gz KRRLGHCNOOOLOO-ILXRZTDVSA-N 2 2 372.535 0.084 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)no1 ZINC001109472896 845668110 /nfs/dbraw/zinc/66/81/10/845668110.db2.gz LHTQZTXCYWBMJT-INWMFGNUSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)no1 ZINC001109472896 845668117 /nfs/dbraw/zinc/66/81/17/845668117.db2.gz LHTQZTXCYWBMJT-INWMFGNUSA-N 2 2 352.435 0.080 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975897 845769671 /nfs/dbraw/zinc/76/96/71/845769671.db2.gz IXOPSCPTRGNLCL-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975897 845769677 /nfs/dbraw/zinc/76/96/77/845769677.db2.gz IXOPSCPTRGNLCL-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975897 845769686 /nfs/dbraw/zinc/76/96/86/845769686.db2.gz IXOPSCPTRGNLCL-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975897 845769693 /nfs/dbraw/zinc/76/96/93/845769693.db2.gz IXOPSCPTRGNLCL-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)C ZINC001109977260 845770151 /nfs/dbraw/zinc/77/01/51/845770151.db2.gz AFJNRXUHEROFOC-ILXRZTDVSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)C ZINC001109977260 845770153 /nfs/dbraw/zinc/77/01/53/845770153.db2.gz AFJNRXUHEROFOC-ILXRZTDVSA-N 2 2 354.495 0.201 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001109975920 845770289 /nfs/dbraw/zinc/77/02/89/845770289.db2.gz JZIJLHVABPJIDU-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001109975920 845770293 /nfs/dbraw/zinc/77/02/93/845770293.db2.gz JZIJLHVABPJIDU-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)C1 ZINC001109975920 845770297 /nfs/dbraw/zinc/77/02/97/845770297.db2.gz JZIJLHVABPJIDU-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)C1 ZINC001109975920 845770300 /nfs/dbraw/zinc/77/03/00/845770300.db2.gz JZIJLHVABPJIDU-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2)CS(C)(=O)=O ZINC001110102135 845789718 /nfs/dbraw/zinc/78/97/18/845789718.db2.gz UTDQADCMHBYFJT-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2)CS(C)(=O)=O ZINC001110102135 845789723 /nfs/dbraw/zinc/78/97/23/845789723.db2.gz UTDQADCMHBYFJT-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001110161557 845808884 /nfs/dbraw/zinc/80/88/84/845808884.db2.gz JDSHPSKBIUYOCV-MUQADHOPSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001110161557 845808890 /nfs/dbraw/zinc/80/88/90/845808890.db2.gz JDSHPSKBIUYOCV-MUQADHOPSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001276794527 861611392 /nfs/dbraw/zinc/61/13/92/861611392.db2.gz LZLBCBMZJPMXPD-IUODEOHRSA-N 2 2 367.412 0.601 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001276794527 861611405 /nfs/dbraw/zinc/61/14/05/861611405.db2.gz LZLBCBMZJPMXPD-IUODEOHRSA-N 2 2 367.412 0.601 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001276795650 861613229 /nfs/dbraw/zinc/61/32/29/861613229.db2.gz NXULPMPAMILYDL-BZUAXINKSA-N 2 2 350.463 0.989 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001276795650 861613237 /nfs/dbraw/zinc/61/32/37/861613237.db2.gz NXULPMPAMILYDL-BZUAXINKSA-N 2 2 350.463 0.989 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110738557 845963248 /nfs/dbraw/zinc/96/32/48/845963248.db2.gz IAGMJMLXEXDOGG-FPCVCCKLSA-N 2 2 371.547 0.873 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110738557 845963252 /nfs/dbraw/zinc/96/32/52/845963252.db2.gz IAGMJMLXEXDOGG-FPCVCCKLSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110738557 845963256 /nfs/dbraw/zinc/96/32/56/845963256.db2.gz IAGMJMLXEXDOGG-FPCVCCKLSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110738557 845963260 /nfs/dbraw/zinc/96/32/60/845963260.db2.gz IAGMJMLXEXDOGG-FPCVCCKLSA-N 2 2 371.547 0.873 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947166 845999969 /nfs/dbraw/zinc/99/99/69/845999969.db2.gz AWPHTUSAJQGWFX-SIRPWMCASA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947166 845999979 /nfs/dbraw/zinc/99/99/79/845999979.db2.gz AWPHTUSAJQGWFX-SIRPWMCASA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001110947166 845999989 /nfs/dbraw/zinc/99/99/89/845999989.db2.gz AWPHTUSAJQGWFX-SIRPWMCASA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110947166 845999994 /nfs/dbraw/zinc/99/99/94/845999994.db2.gz AWPHTUSAJQGWFX-SIRPWMCASA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001110953978 846000792 /nfs/dbraw/zinc/00/07/92/846000792.db2.gz IMQIAIRCBFHEDS-KFWWJZLASA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001110953978 846000804 /nfs/dbraw/zinc/00/08/04/846000804.db2.gz IMQIAIRCBFHEDS-KFWWJZLASA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111021816 846016372 /nfs/dbraw/zinc/01/63/72/846016372.db2.gz FRCKRNNRMSOMAS-FPCVCCKLSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111021816 846016381 /nfs/dbraw/zinc/01/63/81/846016381.db2.gz FRCKRNNRMSOMAS-FPCVCCKLSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001111021816 846016389 /nfs/dbraw/zinc/01/63/89/846016389.db2.gz FRCKRNNRMSOMAS-FPCVCCKLSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001111021816 846016399 /nfs/dbraw/zinc/01/63/99/846016399.db2.gz FRCKRNNRMSOMAS-FPCVCCKLSA-N 2 2 372.535 0.084 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099476 846033184 /nfs/dbraw/zinc/03/31/84/846033184.db2.gz IKURFQYYSJSTNR-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099476 846033186 /nfs/dbraw/zinc/03/31/86/846033186.db2.gz IKURFQYYSJSTNR-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111171878 846054141 /nfs/dbraw/zinc/05/41/41/846054141.db2.gz YDNLDRBOBJLBHW-JJXSEGSLSA-N 2 2 359.536 0.730 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111171878 846054145 /nfs/dbraw/zinc/05/41/45/846054145.db2.gz YDNLDRBOBJLBHW-JJXSEGSLSA-N 2 2 359.536 0.730 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001111228270 846064661 /nfs/dbraw/zinc/06/46/61/846064661.db2.gz BZFUQKHWYZBHGG-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001111228270 846064668 /nfs/dbraw/zinc/06/46/68/846064668.db2.gz BZFUQKHWYZBHGG-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001111228270 846064669 /nfs/dbraw/zinc/06/46/69/846064669.db2.gz BZFUQKHWYZBHGG-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001111228270 846064674 /nfs/dbraw/zinc/06/46/74/846064674.db2.gz BZFUQKHWYZBHGG-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407965 846100351 /nfs/dbraw/zinc/10/03/51/846100351.db2.gz CCFSMYAOYLXXTH-HZMVEIRTSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111407965 846100359 /nfs/dbraw/zinc/10/03/59/846100359.db2.gz CCFSMYAOYLXXTH-HZMVEIRTSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111466258 846118746 /nfs/dbraw/zinc/11/87/46/846118746.db2.gz OUBCRFQKTJKRIE-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111466258 846118751 /nfs/dbraw/zinc/11/87/51/846118751.db2.gz OUBCRFQKTJKRIE-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111466258 846118756 /nfs/dbraw/zinc/11/87/56/846118756.db2.gz OUBCRFQKTJKRIE-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111466258 846118759 /nfs/dbraw/zinc/11/87/59/846118759.db2.gz OUBCRFQKTJKRIE-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111502701 846127349 /nfs/dbraw/zinc/12/73/49/846127349.db2.gz QUYBGCQDBYAJCH-TWMKSMIVSA-N 2 2 350.463 0.638 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111502701 846127357 /nfs/dbraw/zinc/12/73/57/846127357.db2.gz QUYBGCQDBYAJCH-TWMKSMIVSA-N 2 2 350.463 0.638 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678689 846173198 /nfs/dbraw/zinc/17/31/98/846173198.db2.gz PXDKUPYYTRWTBR-SCTDSRPQSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678689 846173202 /nfs/dbraw/zinc/17/32/02/846173202.db2.gz PXDKUPYYTRWTBR-SCTDSRPQSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678689 846173208 /nfs/dbraw/zinc/17/32/08/846173208.db2.gz PXDKUPYYTRWTBR-SCTDSRPQSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678689 846173212 /nfs/dbraw/zinc/17/32/12/846173212.db2.gz PXDKUPYYTRWTBR-SCTDSRPQSA-N 2 2 353.507 0.960 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)n1 ZINC001111861600 846236150 /nfs/dbraw/zinc/23/61/50/846236150.db2.gz VHQBSKBHQUTRBZ-GUYCJALGSA-N 2 2 350.467 0.558 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)n1 ZINC001111861600 846236160 /nfs/dbraw/zinc/23/61/60/846236160.db2.gz VHQBSKBHQUTRBZ-GUYCJALGSA-N 2 2 350.467 0.558 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111938298 846270739 /nfs/dbraw/zinc/27/07/39/846270739.db2.gz VHNSUGACAFZWCS-YOEHRIQHSA-N 2 2 351.451 0.427 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111938298 846270750 /nfs/dbraw/zinc/27/07/50/846270750.db2.gz VHNSUGACAFZWCS-YOEHRIQHSA-N 2 2 351.451 0.427 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112123447 846401565 /nfs/dbraw/zinc/40/15/65/846401565.db2.gz JSCBWRNGMRCNLN-MRVWCRGKSA-N 2 2 360.380 0.807 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112123722 846401771 /nfs/dbraw/zinc/40/17/71/846401771.db2.gz YFBGZZHDOAQXNV-MRVWCRGKSA-N 2 2 360.380 0.807 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)no1 ZINC001112125172 846403431 /nfs/dbraw/zinc/40/34/31/846403431.db2.gz RYUSLPJEBXSNPF-DGCLKSJQSA-N 2 2 364.368 0.711 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112141082 846412792 /nfs/dbraw/zinc/41/27/92/846412792.db2.gz IOEIBEWFLMLBGP-CHWSQXEVSA-N 2 2 364.368 0.261 20 0 FCADLP CC(=O)[C@@H](C)[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276901312 861679801 /nfs/dbraw/zinc/67/98/01/861679801.db2.gz PLOVKPRWTPFTLM-APWZRJJASA-N 2 2 350.507 0.668 20 0 FCADLP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331135 846494146 /nfs/dbraw/zinc/49/41/46/846494146.db2.gz CLQPATBQKGNXLU-YOEHRIQHSA-N 2 2 368.503 0.605 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC(F)F)C[C@H]21 ZINC001114860052 846555627 /nfs/dbraw/zinc/55/56/27/846555627.db2.gz XDUIWBJTPLCARB-MXOJCPGVSA-N 2 2 354.401 0.852 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC(F)F)C[C@H]21 ZINC001114860052 846555634 /nfs/dbraw/zinc/55/56/34/846555634.db2.gz XDUIWBJTPLCARB-MXOJCPGVSA-N 2 2 354.401 0.852 20 0 FCADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580563 846562881 /nfs/dbraw/zinc/56/28/81/846562881.db2.gz AGLWRMAJHPUMRT-RRFJBIMHSA-N 2 2 350.463 0.929 20 0 FCADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580563 846562892 /nfs/dbraw/zinc/56/28/92/846562892.db2.gz AGLWRMAJHPUMRT-RRFJBIMHSA-N 2 2 350.463 0.929 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC001116723647 846748410 /nfs/dbraw/zinc/74/84/10/846748410.db2.gz HNAAXPPVONIYLJ-JKSUJKDBSA-N 2 2 362.536 0.653 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC001116723647 846748414 /nfs/dbraw/zinc/74/84/14/846748414.db2.gz HNAAXPPVONIYLJ-JKSUJKDBSA-N 2 2 362.536 0.653 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c(N)ccnc3F)C2)OCC1=O ZINC001277055876 861746409 /nfs/dbraw/zinc/74/64/09/861746409.db2.gz ZIXLMXQDRGORNA-KRWDZBQOSA-N 2 2 351.426 0.168 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c(N)ccnc3F)C2)OCC1=O ZINC001277055876 861746418 /nfs/dbraw/zinc/74/64/18/861746418.db2.gz ZIXLMXQDRGORNA-KRWDZBQOSA-N 2 2 351.426 0.168 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnnn1C ZINC001120453378 848208108 /nfs/dbraw/zinc/20/81/08/848208108.db2.gz QAQNPXIYOGWAHZ-LBPRGKRZSA-N 2 2 350.471 0.129 20 0 FCADLP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)N1CC[NH+](C2CCCC2)CC1 ZINC001121983389 848430185 /nfs/dbraw/zinc/43/01/85/848430185.db2.gz YGKYXLRMTHGDNL-BMFZPTHFSA-N 2 2 355.504 0.096 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C2 ZINC001122119008 848450826 /nfs/dbraw/zinc/45/08/26/848450826.db2.gz AYUHENXROZVQDD-XHDPSFHLSA-N 2 2 360.380 0.699 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694261 848624801 /nfs/dbraw/zinc/62/48/01/848624801.db2.gz IZNZUCIVRPGRDV-IAGOWNOFSA-N 2 2 355.527 0.373 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694261 848624804 /nfs/dbraw/zinc/62/48/04/848624804.db2.gz IZNZUCIVRPGRDV-IAGOWNOFSA-N 2 2 355.527 0.373 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]Cc2nncs2)CC1 ZINC001127570667 848726069 /nfs/dbraw/zinc/72/60/69/848726069.db2.gz BFPGDGOIICRMHI-HIFRSBDPSA-N 2 2 353.492 0.491 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053130 848801140 /nfs/dbraw/zinc/80/11/40/848801140.db2.gz RYNGCIALZSJECW-SHNZWPGYSA-N 2 2 352.870 0.712 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053130 848801141 /nfs/dbraw/zinc/80/11/41/848801141.db2.gz RYNGCIALZSJECW-SHNZWPGYSA-N 2 2 352.870 0.712 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001130193318 848970730 /nfs/dbraw/zinc/97/07/30/848970730.db2.gz ROEIQMOHVURKRE-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001130193318 848970741 /nfs/dbraw/zinc/97/07/41/848970741.db2.gz ROEIQMOHVURKRE-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193318 848970750 /nfs/dbraw/zinc/97/07/50/848970750.db2.gz ROEIQMOHVURKRE-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130193318 848970755 /nfs/dbraw/zinc/97/07/55/848970755.db2.gz ROEIQMOHVURKRE-IHRRRGAJSA-N 2 2 350.467 0.387 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]C/C=C\Cl ZINC001130945827 849062287 /nfs/dbraw/zinc/06/22/87/849062287.db2.gz CWEFIROUZKKQDO-RRTYZVEESA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]C/C=C\Cl ZINC001130945827 849062301 /nfs/dbraw/zinc/06/23/01/849062301.db2.gz CWEFIROUZKKQDO-RRTYZVEESA-N 2 2 367.881 0.387 20 0 FCADLP C[N@H+](C1CN(Cc2cnc(N3CC[NH+](C)CC3)s2)C1)[C@@H]1CCOC1 ZINC001139323584 849335847 /nfs/dbraw/zinc/33/58/47/849335847.db2.gz NKWKPTOGCKEPNS-CQSZACIVSA-N 2 2 351.520 0.800 20 0 FCADLP C[N@@H+](C1CN(Cc2cnc(N3CC[NH+](C)CC3)s2)C1)[C@@H]1CCOC1 ZINC001139323584 849335853 /nfs/dbraw/zinc/33/58/53/849335853.db2.gz NKWKPTOGCKEPNS-CQSZACIVSA-N 2 2 351.520 0.800 20 0 FCADLP OC[C@@H]1C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761839 849348286 /nfs/dbraw/zinc/34/82/86/849348286.db2.gz ODORDSCZEKXNNJ-PKOBYXMFSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761839 849348296 /nfs/dbraw/zinc/34/82/96/849348296.db2.gz ODORDSCZEKXNNJ-PKOBYXMFSA-N 2 2 350.459 0.573 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001277720025 862032466 /nfs/dbraw/zinc/03/24/66/862032466.db2.gz TXEQZFRVDMMSSO-CVEARBPZSA-N 2 2 350.463 0.536 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277720293 862032925 /nfs/dbraw/zinc/03/29/25/862032925.db2.gz WGHFFZXHDWOFDX-AEFFLSMTSA-N 2 2 350.463 0.738 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001277720293 862032939 /nfs/dbraw/zinc/03/29/39/862032939.db2.gz WGHFFZXHDWOFDX-AEFFLSMTSA-N 2 2 350.463 0.738 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001277719828 862033932 /nfs/dbraw/zinc/03/39/32/862033932.db2.gz SPTIVSXKALGJGW-INIZCTEOSA-N 2 2 350.463 0.632 20 0 FCADLP CCNS(=O)(=O)c1cccnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375110 849848894 /nfs/dbraw/zinc/84/88/94/849848894.db2.gz AIKNPKLSJXUPCL-AWEZNQCLSA-N 2 2 353.492 0.239 20 0 FCADLP C[NH+]1CCC(C[NH+]2CCN(c3ccc(S(C)(=O)=O)cn3)CC2)CC1 ZINC001157842798 849999448 /nfs/dbraw/zinc/99/94/48/849999448.db2.gz YGOUOPNRAMWLLV-UHFFFAOYSA-N 2 2 352.504 0.949 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157927620 850005075 /nfs/dbraw/zinc/00/50/75/850005075.db2.gz YKZHKSQDMQZARO-GVXVVHGQSA-N 2 2 352.332 0.544 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c(Cl)nnc(Cl)c1N1CCOCC1 ZINC001158209369 850024218 /nfs/dbraw/zinc/02/42/18/850024218.db2.gz SQPCDHLHIQUHTD-SECBINFHSA-N 2 2 373.244 0.668 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001158257132 850029707 /nfs/dbraw/zinc/02/97/07/850029707.db2.gz PXFHGGRCUMQKDU-HZPDHXFCSA-N 2 2 350.463 0.259 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158266178 850031513 /nfs/dbraw/zinc/03/15/13/850031513.db2.gz ATNPSEOWHZPGGQ-AWEZNQCLSA-N 2 2 367.519 0.770 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158266178 850031518 /nfs/dbraw/zinc/03/15/18/850031518.db2.gz ATNPSEOWHZPGGQ-AWEZNQCLSA-N 2 2 367.519 0.770 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)C1 ZINC001158266984 850032345 /nfs/dbraw/zinc/03/23/45/850032345.db2.gz GOHDRORHUKZLCE-CYBMUJFWSA-N 2 2 365.503 0.524 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)C1 ZINC001158266984 850032353 /nfs/dbraw/zinc/03/23/53/850032353.db2.gz GOHDRORHUKZLCE-CYBMUJFWSA-N 2 2 365.503 0.524 20 0 FCADLP Cc1nc(CO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])[C@@H]3CCCO[C@H]23)cs1 ZINC001159516203 850120458 /nfs/dbraw/zinc/12/04/58/850120458.db2.gz ZYTZCIWMWCKARA-RBZJEDDUSA-N 2 2 366.487 0.273 20 0 FCADLP COC[C@@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CC2 ZINC001160060508 850151778 /nfs/dbraw/zinc/15/17/78/850151778.db2.gz WIGSAZJDKUJRBU-ZBFHGGJFSA-N 2 2 350.463 0.582 20 0 FCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C[C@@H](O)C[NH3+])CC[C@@H]3C2)cs1 ZINC001160334942 850167327 /nfs/dbraw/zinc/16/73/27/850167327.db2.gz ISLAJUAPDSDPAL-FVQBIDKESA-N 2 2 368.503 0.211 20 0 FCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C[C@@H](O)C[NH3+])CC[C@@H]3C2)cs1 ZINC001160334942 850167332 /nfs/dbraw/zinc/16/73/32/850167332.db2.gz ISLAJUAPDSDPAL-FVQBIDKESA-N 2 2 368.503 0.211 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCC(F)(F)F ZINC001160336567 850168574 /nfs/dbraw/zinc/16/85/74/850168574.db2.gz CAPMOUZHADLVSF-HBNTYKKESA-N 2 2 361.368 0.676 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)NCC(F)(F)F ZINC001160336567 850168579 /nfs/dbraw/zinc/16/85/79/850168579.db2.gz CAPMOUZHADLVSF-HBNTYKKESA-N 2 2 361.368 0.676 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512106 850178142 /nfs/dbraw/zinc/17/81/42/850178142.db2.gz RXEUIWBHJPDCLW-HNNXBMFYSA-N 2 2 352.464 0.605 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]cn1 ZINC001160740681 850196611 /nfs/dbraw/zinc/19/66/11/850196611.db2.gz AAGSAXMITWYYIL-DCAQKATOSA-N 2 2 358.368 0.883 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc[nH+]1 ZINC001160740681 850196615 /nfs/dbraw/zinc/19/66/15/850196615.db2.gz AAGSAXMITWYYIL-DCAQKATOSA-N 2 2 358.368 0.883 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795469 862101770 /nfs/dbraw/zinc/10/17/70/862101770.db2.gz XKMKCSNPCCRGNR-AEFFLSMTSA-N 2 2 350.463 0.773 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795469 862101775 /nfs/dbraw/zinc/10/17/75/862101775.db2.gz XKMKCSNPCCRGNR-AEFFLSMTSA-N 2 2 350.463 0.773 20 0 FCADLP Nc1ccc(Br)c2c1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160846829 850203289 /nfs/dbraw/zinc/20/32/89/850203289.db2.gz OTDFVIGOEJBAJM-QLJPJBMISA-N 2 2 365.275 0.868 20 0 FCADLP COCc1noc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160851414 850205358 /nfs/dbraw/zinc/20/53/58/850205358.db2.gz YTDXDLBYXHQCSV-JHJVBQTASA-N 2 2 355.439 0.092 20 0 FCADLP COCc1noc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160851414 850205371 /nfs/dbraw/zinc/20/53/71/850205371.db2.gz YTDXDLBYXHQCSV-JHJVBQTASA-N 2 2 355.439 0.092 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001161236263 850241867 /nfs/dbraw/zinc/24/18/67/850241867.db2.gz BYWMRDHYXVICPP-STQMWFEESA-N 2 2 357.451 0.141 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001161236263 850241872 /nfs/dbraw/zinc/24/18/72/850241872.db2.gz BYWMRDHYXVICPP-STQMWFEESA-N 2 2 357.451 0.141 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380367 850255935 /nfs/dbraw/zinc/25/59/35/850255935.db2.gz VEKREKGCZZTULU-SJORKVTESA-N 3 2 352.429 0.859 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161480169 850262393 /nfs/dbraw/zinc/26/23/93/850262393.db2.gz SWMPGUMPKFVJSQ-YDHLFZDLSA-N 2 2 360.449 0.808 20 0 FCADLP O=C(N1CC[C@@H](n2cc(Br)cn2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161520561 850266807 /nfs/dbraw/zinc/26/68/07/850266807.db2.gz QXYUTURKAANAIZ-QKCSRTOESA-N 2 2 354.252 0.371 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](CCCO)CC1 ZINC001162315969 850308004 /nfs/dbraw/zinc/30/80/04/850308004.db2.gz WVNWRJOGUOHVNJ-HUUCEWRRSA-N 2 2 350.463 0.740 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](CCCO)CC1 ZINC001162315969 850308017 /nfs/dbraw/zinc/30/80/17/850308017.db2.gz WVNWRJOGUOHVNJ-HUUCEWRRSA-N 2 2 350.463 0.740 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835810 862123359 /nfs/dbraw/zinc/12/33/59/862123359.db2.gz MHBXCVKXFCQARJ-SJORKVTESA-N 3 2 354.539 0.469 20 0 FCADLP Cc1nonc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165711015 850452325 /nfs/dbraw/zinc/45/23/25/850452325.db2.gz BDMHJAZBIHPQKD-IUODEOHRSA-N 2 2 351.451 0.473 20 0 FCADLP Cc1nonc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165711015 850452336 /nfs/dbraw/zinc/45/23/36/850452336.db2.gz BDMHJAZBIHPQKD-IUODEOHRSA-N 2 2 351.451 0.473 20 0 FCADLP CS(=O)(=O)N1CCN(c2cccc(NCc3cc[nH+]c(N)c3)[nH+]2)CC1 ZINC001167617782 850550253 /nfs/dbraw/zinc/55/02/53/850550253.db2.gz ZVTXXAVKWIHNIF-UHFFFAOYSA-N 2 2 362.459 0.753 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001169253269 850609739 /nfs/dbraw/zinc/60/97/39/850609739.db2.gz ANGDMQWYZLYRMW-IBGZPJMESA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001169253269 850609746 /nfs/dbraw/zinc/60/97/46/850609746.db2.gz ANGDMQWYZLYRMW-IBGZPJMESA-N 2 2 350.507 0.873 20 0 FCADLP FC(F)(F)CN1CCC([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001173669321 850732335 /nfs/dbraw/zinc/73/23/35/850732335.db2.gz LYXHKQLLEFTQTJ-UHFFFAOYSA-N 2 2 364.456 0.963 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)[C@@H]([NH3+])C1 ZINC001173745522 850735220 /nfs/dbraw/zinc/73/52/20/850735220.db2.gz WIZOBAZXZJDFSD-ZOBORPQBSA-N 2 2 351.455 0.693 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001178691409 850917166 /nfs/dbraw/zinc/91/71/66/850917166.db2.gz DZFAERXREKPMDE-CYBMUJFWSA-N 2 2 356.448 0.093 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001178691409 850917170 /nfs/dbraw/zinc/91/71/70/850917170.db2.gz DZFAERXREKPMDE-CYBMUJFWSA-N 2 2 356.448 0.093 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179191086 850961130 /nfs/dbraw/zinc/96/11/30/850961130.db2.gz KEKYTFCUWXUIGY-YVSFHVDLSA-N 2 2 357.470 0.805 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187858158 851615719 /nfs/dbraw/zinc/61/57/19/851615719.db2.gz YRYPRJMJSMRUEW-GVDBMIGSSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187858158 851615730 /nfs/dbraw/zinc/61/57/30/851615730.db2.gz YRYPRJMJSMRUEW-GVDBMIGSSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187858158 851615739 /nfs/dbraw/zinc/61/57/39/851615739.db2.gz YRYPRJMJSMRUEW-GVDBMIGSSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187858158 851615751 /nfs/dbraw/zinc/61/57/51/851615751.db2.gz YRYPRJMJSMRUEW-GVDBMIGSSA-N 2 2 350.507 0.918 20 0 FCADLP CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001190169377 851869604 /nfs/dbraw/zinc/86/96/04/851869604.db2.gz ZXVSINSAUMCUOE-JKSUJKDBSA-N 2 2 369.531 0.440 20 0 FCADLP CS(=O)(=O)CC1(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001190169377 851869613 /nfs/dbraw/zinc/86/96/13/851869613.db2.gz ZXVSINSAUMCUOE-JKSUJKDBSA-N 2 2 369.531 0.440 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001192639975 852269562 /nfs/dbraw/zinc/26/95/62/852269562.db2.gz NGTBKWJGTFGFQZ-BZUAXINKSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001192639975 852269573 /nfs/dbraw/zinc/26/95/73/852269573.db2.gz NGTBKWJGTFGFQZ-BZUAXINKSA-N 2 2 350.463 0.709 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)C1CC1 ZINC001193792078 852489185 /nfs/dbraw/zinc/48/91/85/852489185.db2.gz WHDXDNADPISYCZ-RBSFLKMASA-N 2 2 355.870 0.038 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)C1CC1 ZINC001193792078 852489192 /nfs/dbraw/zinc/48/91/92/852489192.db2.gz WHDXDNADPISYCZ-RBSFLKMASA-N 2 2 355.870 0.038 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)n1 ZINC001194086178 852536105 /nfs/dbraw/zinc/53/61/05/852536105.db2.gz RQZDVWITKLUHBE-BZUAXINKSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)n1 ZINC001194086178 852536111 /nfs/dbraw/zinc/53/61/11/852536111.db2.gz RQZDVWITKLUHBE-BZUAXINKSA-N 2 2 350.463 0.482 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)o1 ZINC001194258989 852567804 /nfs/dbraw/zinc/56/78/04/852567804.db2.gz OZULUBQAYGFAEK-ZIAGYGMSSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2)o1 ZINC001194258989 852567813 /nfs/dbraw/zinc/56/78/13/852567813.db2.gz OZULUBQAYGFAEK-ZIAGYGMSSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)o1 ZINC001194258989 852567824 /nfs/dbraw/zinc/56/78/24/852567824.db2.gz OZULUBQAYGFAEK-ZIAGYGMSSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)o1 ZINC001194258989 852567829 /nfs/dbraw/zinc/56/78/29/852567829.db2.gz OZULUBQAYGFAEK-ZIAGYGMSSA-N 2 2 352.479 0.937 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001194321347 852578810 /nfs/dbraw/zinc/57/88/10/852578810.db2.gz SVKJTZXCVCUYCK-QLFBSQMISA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001194321347 852578816 /nfs/dbraw/zinc/57/88/16/852578816.db2.gz SVKJTZXCVCUYCK-QLFBSQMISA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001194321347 852578822 /nfs/dbraw/zinc/57/88/22/852578822.db2.gz SVKJTZXCVCUYCK-QLFBSQMISA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001194321347 852578827 /nfs/dbraw/zinc/57/88/27/852578827.db2.gz SVKJTZXCVCUYCK-QLFBSQMISA-N 2 2 363.449 0.550 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001195149010 852714871 /nfs/dbraw/zinc/71/48/71/852714871.db2.gz GVVQTZVKFLESEO-IXDOHACOSA-N 2 2 350.463 0.376 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001195149010 852714879 /nfs/dbraw/zinc/71/48/79/852714879.db2.gz GVVQTZVKFLESEO-IXDOHACOSA-N 2 2 350.463 0.376 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195640498 852804085 /nfs/dbraw/zinc/80/40/85/852804085.db2.gz DPLGSRXXCHUCIJ-HZPDHXFCSA-N 2 2 353.463 0.931 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001195701651 852814613 /nfs/dbraw/zinc/81/46/13/852814613.db2.gz OUMBHQFEYOBWOM-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001195701651 852814619 /nfs/dbraw/zinc/81/46/19/852814619.db2.gz OUMBHQFEYOBWOM-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894512 852844509 /nfs/dbraw/zinc/84/45/09/852844509.db2.gz ZKDUUMSERKOBED-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894512 852844513 /nfs/dbraw/zinc/84/45/13/852844513.db2.gz ZKDUUMSERKOBED-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894512 852844518 /nfs/dbraw/zinc/84/45/18/852844518.db2.gz ZKDUUMSERKOBED-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894512 852844521 /nfs/dbraw/zinc/84/45/21/852844521.db2.gz ZKDUUMSERKOBED-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001196090078 852889079 /nfs/dbraw/zinc/88/90/79/852889079.db2.gz GFLPDKMVIMPYAW-NUEKZKHPSA-N 2 2 350.463 0.808 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001196276319 852930149 /nfs/dbraw/zinc/93/01/49/852930149.db2.gz MOMZHDAUESKFJB-OWCLPIDISA-N 2 2 353.438 0.706 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001196276319 852930160 /nfs/dbraw/zinc/93/01/60/852930160.db2.gz MOMZHDAUESKFJB-OWCLPIDISA-N 2 2 353.438 0.706 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501439 852966865 /nfs/dbraw/zinc/96/68/65/852966865.db2.gz ZOZRSKWXJDIUKO-DJIMGWMZSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501439 852966872 /nfs/dbraw/zinc/96/68/72/852966872.db2.gz ZOZRSKWXJDIUKO-DJIMGWMZSA-N 2 2 350.463 0.812 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001196926529 853032342 /nfs/dbraw/zinc/03/23/42/853032342.db2.gz YPJKSVSUBSDNHZ-ZIAGYGMSSA-N 2 2 360.405 0.415 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001196926529 853032350 /nfs/dbraw/zinc/03/23/50/853032350.db2.gz YPJKSVSUBSDNHZ-ZIAGYGMSSA-N 2 2 360.405 0.415 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197048718 853053326 /nfs/dbraw/zinc/05/33/26/853053326.db2.gz DZRPPVKVCCVYLL-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197048718 853053335 /nfs/dbraw/zinc/05/33/35/853053335.db2.gz DZRPPVKVCCVYLL-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001197058670 853054209 /nfs/dbraw/zinc/05/42/09/853054209.db2.gz WGYAOCSTXCYMEZ-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001197058670 853054216 /nfs/dbraw/zinc/05/42/16/853054216.db2.gz WGYAOCSTXCYMEZ-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197058783 853054364 /nfs/dbraw/zinc/05/43/64/853054364.db2.gz ZYDWEZCDBGWPJU-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197058783 853054372 /nfs/dbraw/zinc/05/43/72/853054372.db2.gz ZYDWEZCDBGWPJU-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001197833999 853170247 /nfs/dbraw/zinc/17/02/47/853170247.db2.gz PDHPCALMNHGWAA-TZMCWYRMSA-N 2 2 358.389 0.204 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001197833999 853170256 /nfs/dbraw/zinc/17/02/56/853170256.db2.gz PDHPCALMNHGWAA-TZMCWYRMSA-N 2 2 358.389 0.204 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001198046338 853209006 /nfs/dbraw/zinc/20/90/06/853209006.db2.gz ASHABPMSVUVXJM-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001198046338 853209010 /nfs/dbraw/zinc/20/90/10/853209010.db2.gz ASHABPMSVUVXJM-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001198046338 853209014 /nfs/dbraw/zinc/20/90/14/853209014.db2.gz ASHABPMSVUVXJM-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O ZINC001198046338 853209020 /nfs/dbraw/zinc/20/90/20/853209020.db2.gz ASHABPMSVUVXJM-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CC1 ZINC001198293084 853246431 /nfs/dbraw/zinc/24/64/31/853246431.db2.gz WXYMAXAHYROXNY-ZACQAIPSSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CC1 ZINC001198293084 853246440 /nfs/dbraw/zinc/24/64/40/853246440.db2.gz WXYMAXAHYROXNY-ZACQAIPSSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001198292802 853246889 /nfs/dbraw/zinc/24/68/89/853246889.db2.gz RSHQDAPISWKFSC-BZUAXINKSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001198292802 853246893 /nfs/dbraw/zinc/24/68/93/853246893.db2.gz RSHQDAPISWKFSC-BZUAXINKSA-N 2 2 350.463 0.329 20 0 FCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1cccc(NS(C)(=O)=O)c1)C2 ZINC001278752078 862451913 /nfs/dbraw/zinc/45/19/13/862451913.db2.gz VZQFTZRIHNPICA-UHFFFAOYSA-N 2 2 352.504 0.880 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CC1 ZINC001199397719 853419607 /nfs/dbraw/zinc/41/96/07/853419607.db2.gz ARBCOHGBDFCZAL-ZACQAIPSSA-N 2 2 350.463 0.640 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CC1 ZINC001199397719 853419609 /nfs/dbraw/zinc/41/96/09/853419609.db2.gz ARBCOHGBDFCZAL-ZACQAIPSSA-N 2 2 350.463 0.640 20 0 FCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201430373 853527060 /nfs/dbraw/zinc/52/70/60/853527060.db2.gz OJCQHUGWZUIXKA-BZUAXINKSA-N 2 2 350.463 0.767 20 0 FCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201428406 853527341 /nfs/dbraw/zinc/52/73/41/853527341.db2.gz ATEBVAFXOOEHHA-BZUAXINKSA-N 2 2 350.463 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001206319452 853678317 /nfs/dbraw/zinc/67/83/17/853678317.db2.gz GBLHBXGXYDGDLR-HZPDHXFCSA-N 2 2 350.463 0.361 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922189 853752809 /nfs/dbraw/zinc/75/28/09/853752809.db2.gz CTQBYXGLFQWKIS-ZIAGYGMSSA-N 2 2 350.467 0.486 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922189 853752811 /nfs/dbraw/zinc/75/28/11/853752811.db2.gz CTQBYXGLFQWKIS-ZIAGYGMSSA-N 2 2 350.467 0.486 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545011 853822036 /nfs/dbraw/zinc/82/20/36/853822036.db2.gz ADNVPJQMMINWGM-OWCLPIDISA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545011 853822039 /nfs/dbraw/zinc/82/20/39/853822039.db2.gz ADNVPJQMMINWGM-OWCLPIDISA-N 2 2 371.547 0.732 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CC1 ZINC001207541216 853822231 /nfs/dbraw/zinc/82/22/31/853822231.db2.gz ZBIOLVFACBSWNF-IJEWVQPXSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CC1 ZINC001207541216 853822238 /nfs/dbraw/zinc/82/22/38/853822238.db2.gz ZBIOLVFACBSWNF-IJEWVQPXSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545010 853822430 /nfs/dbraw/zinc/82/24/30/853822430.db2.gz ADNVPJQMMINWGM-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545010 853822433 /nfs/dbraw/zinc/82/24/33/853822433.db2.gz ADNVPJQMMINWGM-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207709061 853844287 /nfs/dbraw/zinc/84/42/87/853844287.db2.gz MXQXODGWWNVVPA-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207709061 853844289 /nfs/dbraw/zinc/84/42/89/853844289.db2.gz MXQXODGWWNVVPA-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207709061 853844293 /nfs/dbraw/zinc/84/42/93/853844293.db2.gz MXQXODGWWNVVPA-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001207709061 853844295 /nfs/dbraw/zinc/84/42/95/853844295.db2.gz MXQXODGWWNVVPA-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757416 853854331 /nfs/dbraw/zinc/85/43/31/853854331.db2.gz BJMYYRIQNGYRJE-BFYDXBDKSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757416 853854338 /nfs/dbraw/zinc/85/43/38/853854338.db2.gz BJMYYRIQNGYRJE-BFYDXBDKSA-N 2 2 350.463 0.545 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001208007421 853881202 /nfs/dbraw/zinc/88/12/02/853881202.db2.gz DYOWTPJHDQACMW-GDBMZVCRSA-N 2 2 370.519 0.841 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001208007421 853881206 /nfs/dbraw/zinc/88/12/06/853881206.db2.gz DYOWTPJHDQACMW-GDBMZVCRSA-N 2 2 370.519 0.841 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515530 853945213 /nfs/dbraw/zinc/94/52/13/853945213.db2.gz RMQUKBVWAQJRBT-BZUAXINKSA-N 2 2 361.552 0.834 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515530 853945215 /nfs/dbraw/zinc/94/52/15/853945215.db2.gz RMQUKBVWAQJRBT-BZUAXINKSA-N 2 2 361.552 0.834 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208590401 853957800 /nfs/dbraw/zinc/95/78/00/853957800.db2.gz FWUWYIIHGJTCIM-HLLBOEOZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208590401 853957803 /nfs/dbraw/zinc/95/78/03/853957803.db2.gz FWUWYIIHGJTCIM-HLLBOEOZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001208590401 853957807 /nfs/dbraw/zinc/95/78/07/853957807.db2.gz FWUWYIIHGJTCIM-HLLBOEOZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001208590401 853957811 /nfs/dbraw/zinc/95/78/11/853957811.db2.gz FWUWYIIHGJTCIM-HLLBOEOZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001208637123 853962869 /nfs/dbraw/zinc/96/28/69/853962869.db2.gz GLTXKLXGLAZKHN-GDBMZVCRSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001208637123 853962874 /nfs/dbraw/zinc/96/28/74/853962874.db2.gz GLTXKLXGLAZKHN-GDBMZVCRSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001208637123 853962882 /nfs/dbraw/zinc/96/28/82/853962882.db2.gz GLTXKLXGLAZKHN-GDBMZVCRSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001208637123 853962884 /nfs/dbraw/zinc/96/28/84/853962884.db2.gz GLTXKLXGLAZKHN-GDBMZVCRSA-N 2 2 350.507 0.681 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001208670284 853965454 /nfs/dbraw/zinc/96/54/54/853965454.db2.gz NOILCANXROMLIZ-BBWFWOEESA-N 2 2 357.470 0.806 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210041945 854072982 /nfs/dbraw/zinc/07/29/82/854072982.db2.gz ZLGZSTFGOQSQMH-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210041945 854072990 /nfs/dbraw/zinc/07/29/90/854072990.db2.gz ZLGZSTFGOQSQMH-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210041945 854072995 /nfs/dbraw/zinc/07/29/95/854072995.db2.gz ZLGZSTFGOQSQMH-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210041945 854072999 /nfs/dbraw/zinc/07/29/99/854072999.db2.gz ZLGZSTFGOQSQMH-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001210604662 854120198 /nfs/dbraw/zinc/12/01/98/854120198.db2.gz NMTJZLWPAHIMFT-UKPHBRMFSA-N 2 2 352.479 0.731 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001210604662 854120201 /nfs/dbraw/zinc/12/02/01/854120201.db2.gz NMTJZLWPAHIMFT-UKPHBRMFSA-N 2 2 352.479 0.731 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(C(N)=O)cs1 ZINC001210644045 854123128 /nfs/dbraw/zinc/12/31/28/854123128.db2.gz HZLCTBWDLJEKEK-UHFFFAOYSA-N 2 2 354.480 0.732 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(C(N)=O)cs1 ZINC001210644045 854123133 /nfs/dbraw/zinc/12/31/33/854123133.db2.gz HZLCTBWDLJEKEK-UHFFFAOYSA-N 2 2 354.480 0.732 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001211038388 854149253 /nfs/dbraw/zinc/14/92/53/854149253.db2.gz ITDZFIXFTRRVHU-GDBMZVCRSA-N 2 2 370.519 0.841 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001211038388 854149258 /nfs/dbraw/zinc/14/92/58/854149258.db2.gz ITDZFIXFTRRVHU-GDBMZVCRSA-N 2 2 370.519 0.841 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046807 854149824 /nfs/dbraw/zinc/14/98/24/854149824.db2.gz VWMSOYZNJSFDDI-IJEWVQPXSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046807 854149825 /nfs/dbraw/zinc/14/98/25/854149825.db2.gz VWMSOYZNJSFDDI-IJEWVQPXSA-N 2 2 350.463 0.888 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001211369453 854182801 /nfs/dbraw/zinc/18/28/01/854182801.db2.gz IMHIROKFPUDMMI-HUUCEWRRSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001211369453 854182803 /nfs/dbraw/zinc/18/28/03/854182803.db2.gz IMHIROKFPUDMMI-HUUCEWRRSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001211369453 854182806 /nfs/dbraw/zinc/18/28/06/854182806.db2.gz IMHIROKFPUDMMI-HUUCEWRRSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001211369453 854182808 /nfs/dbraw/zinc/18/28/08/854182808.db2.gz IMHIROKFPUDMMI-HUUCEWRRSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211452330 854201442 /nfs/dbraw/zinc/20/14/42/854201442.db2.gz UZEQQECPJCLNTM-VXGBXAGGSA-N 2 2 361.368 0.388 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211452330 854201446 /nfs/dbraw/zinc/20/14/46/854201446.db2.gz UZEQQECPJCLNTM-VXGBXAGGSA-N 2 2 361.368 0.388 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001212071463 854354694 /nfs/dbraw/zinc/35/46/94/854354694.db2.gz QZQIIOGZAYQLKO-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001212071463 854354698 /nfs/dbraw/zinc/35/46/98/854354698.db2.gz QZQIIOGZAYQLKO-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001212071463 854354705 /nfs/dbraw/zinc/35/47/05/854354705.db2.gz QZQIIOGZAYQLKO-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001212071463 854354709 /nfs/dbraw/zinc/35/47/09/854354709.db2.gz QZQIIOGZAYQLKO-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201147 854402928 /nfs/dbraw/zinc/40/29/28/854402928.db2.gz RTPNKFQYTMYZRL-HZPDHXFCSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201147 854402929 /nfs/dbraw/zinc/40/29/29/854402929.db2.gz RTPNKFQYTMYZRL-HZPDHXFCSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212384851 854459108 /nfs/dbraw/zinc/45/91/08/854459108.db2.gz ACKBIWMXRDTHQI-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212384851 854459112 /nfs/dbraw/zinc/45/91/12/854459112.db2.gz ACKBIWMXRDTHQI-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CCC1 ZINC001212384851 854459113 /nfs/dbraw/zinc/45/91/13/854459113.db2.gz ACKBIWMXRDTHQI-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CCC1 ZINC001212384851 854459114 /nfs/dbraw/zinc/45/91/14/854459114.db2.gz ACKBIWMXRDTHQI-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1OC)[NH+](C)C ZINC001212462767 854488465 /nfs/dbraw/zinc/48/84/65/854488465.db2.gz IYJBBECRPZZTMV-RBSFLKMASA-N 2 2 370.519 0.374 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1OC)[NH+](C)C ZINC001212462767 854488466 /nfs/dbraw/zinc/48/84/66/854488466.db2.gz IYJBBECRPZZTMV-RBSFLKMASA-N 2 2 370.519 0.374 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348191 854584883 /nfs/dbraw/zinc/58/48/83/854584883.db2.gz HJWFBYARKROYSA-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348191 854584886 /nfs/dbraw/zinc/58/48/86/854584886.db2.gz HJWFBYARKROYSA-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376838 854593996 /nfs/dbraw/zinc/59/39/96/854593996.db2.gz KDLSBDGCFAVALU-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376838 854594001 /nfs/dbraw/zinc/59/40/01/854594001.db2.gz KDLSBDGCFAVALU-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001213441670 854618007 /nfs/dbraw/zinc/61/80/07/854618007.db2.gz CUAORHIMIKWOHQ-IAGOWNOFSA-N 2 2 353.507 0.960 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001213441670 854618012 /nfs/dbraw/zinc/61/80/12/854618012.db2.gz CUAORHIMIKWOHQ-IAGOWNOFSA-N 2 2 353.507 0.960 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001213441670 854618017 /nfs/dbraw/zinc/61/80/17/854618017.db2.gz CUAORHIMIKWOHQ-IAGOWNOFSA-N 2 2 353.507 0.960 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001213441670 854618023 /nfs/dbraw/zinc/61/80/23/854618023.db2.gz CUAORHIMIKWOHQ-IAGOWNOFSA-N 2 2 353.507 0.960 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC)[NH+](C)C ZINC001213455509 854624386 /nfs/dbraw/zinc/62/43/86/854624386.db2.gz FHDUHFDNXAZZRG-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC)[NH+](C)C ZINC001213455509 854624389 /nfs/dbraw/zinc/62/43/89/854624389.db2.gz FHDUHFDNXAZZRG-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC)[NH+](C)C ZINC001213458318 854625731 /nfs/dbraw/zinc/62/57/31/854625731.db2.gz SAGHGMALQNKQOC-QLFBSQMISA-N 2 2 356.511 0.447 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC)[NH+](C)C ZINC001213458318 854625742 /nfs/dbraw/zinc/62/57/42/854625742.db2.gz SAGHGMALQNKQOC-QLFBSQMISA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526889 854652767 /nfs/dbraw/zinc/65/27/67/854652767.db2.gz ZENDHJUQHFCHSE-HZPDHXFCSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526889 854652772 /nfs/dbraw/zinc/65/27/72/854652772.db2.gz ZENDHJUQHFCHSE-HZPDHXFCSA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC)C(C)C ZINC001213592824 854678442 /nfs/dbraw/zinc/67/84/42/854678442.db2.gz GANNHGMUQABDFI-BFYDXBDKSA-N 2 2 356.511 0.256 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC)C(C)C ZINC001213592824 854678447 /nfs/dbraw/zinc/67/84/47/854678447.db2.gz GANNHGMUQABDFI-BFYDXBDKSA-N 2 2 356.511 0.256 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213594400 854678524 /nfs/dbraw/zinc/67/85/24/854678524.db2.gz DIVJRCADNSEIBA-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213594400 854678530 /nfs/dbraw/zinc/67/85/30/854678530.db2.gz DIVJRCADNSEIBA-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1)C1CC1 ZINC001213599214 854680155 /nfs/dbraw/zinc/68/01/55/854680155.db2.gz WVUVSVVFJDNTOA-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1)C1CC1 ZINC001213599214 854680166 /nfs/dbraw/zinc/68/01/66/854680166.db2.gz WVUVSVVFJDNTOA-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213671804 854708687 /nfs/dbraw/zinc/70/86/87/854708687.db2.gz RXZKQCMSAXDHFT-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213671804 854708691 /nfs/dbraw/zinc/70/86/91/854708691.db2.gz RXZKQCMSAXDHFT-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213671804 854708698 /nfs/dbraw/zinc/70/86/98/854708698.db2.gz RXZKQCMSAXDHFT-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213671804 854708701 /nfs/dbraw/zinc/70/87/01/854708701.db2.gz RXZKQCMSAXDHFT-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671317 854708942 /nfs/dbraw/zinc/70/89/42/854708942.db2.gz BCVVOIKCBWJBEE-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671317 854708947 /nfs/dbraw/zinc/70/89/47/854708947.db2.gz BCVVOIKCBWJBEE-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671317 854708949 /nfs/dbraw/zinc/70/89/49/854708949.db2.gz BCVVOIKCBWJBEE-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671317 854708954 /nfs/dbraw/zinc/70/89/54/854708954.db2.gz BCVVOIKCBWJBEE-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801744 854773860 /nfs/dbraw/zinc/77/38/60/854773860.db2.gz BSMLDADUUOFYMA-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801744 854773863 /nfs/dbraw/zinc/77/38/63/854773863.db2.gz BSMLDADUUOFYMA-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213872043 854802117 /nfs/dbraw/zinc/80/21/17/854802117.db2.gz RAXPDFSQIHXAKB-BZUAXINKSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213872043 854802120 /nfs/dbraw/zinc/80/21/20/854802120.db2.gz RAXPDFSQIHXAKB-BZUAXINKSA-N 2 2 354.495 0.332 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001215993996 855163027 /nfs/dbraw/zinc/16/30/27/855163027.db2.gz LLQCLSWEHFCMJL-ZIAGYGMSSA-N 2 2 353.467 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC001216401603 855199504 /nfs/dbraw/zinc/19/95/04/855199504.db2.gz NTGCDPTWQOLRRJ-TZMCWYRMSA-N 2 2 351.451 0.462 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC001216570243 855213273 /nfs/dbraw/zinc/21/32/73/855213273.db2.gz ZYKKZWVHVHYVSA-FRFSOERESA-N 2 2 352.479 0.731 20 0 FCADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001279102984 862657935 /nfs/dbraw/zinc/65/79/35/862657935.db2.gz ZJYUZVFEMRODCO-STQMWFEESA-N 2 2 364.881 0.814 20 0 FCADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001279102984 862657941 /nfs/dbraw/zinc/65/79/41/862657941.db2.gz ZJYUZVFEMRODCO-STQMWFEESA-N 2 2 364.881 0.814 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001216858893 855262622 /nfs/dbraw/zinc/26/26/22/855262622.db2.gz DJFIBNBJBFDPPC-DJIMGWMZSA-N 2 2 350.463 0.130 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H](O)COCC(F)(F)F ZINC001217004843 855274879 /nfs/dbraw/zinc/27/48/79/855274879.db2.gz CULXFIZQMKUKPT-FRRDWIJNSA-N 2 2 364.368 0.259 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001218396190 855422792 /nfs/dbraw/zinc/42/27/92/855422792.db2.gz FUGLQOUPBFRILK-DLBZAZTESA-N 2 2 350.463 0.857 20 0 FCADLP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001218396190 855422796 /nfs/dbraw/zinc/42/27/96/855422796.db2.gz FUGLQOUPBFRILK-DLBZAZTESA-N 2 2 350.463 0.857 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218583140 855444736 /nfs/dbraw/zinc/44/47/36/855444736.db2.gz ZXQNCRBJYVXUGP-DLBZAZTESA-N 2 2 350.463 0.909 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218583140 855444737 /nfs/dbraw/zinc/44/47/37/855444737.db2.gz ZXQNCRBJYVXUGP-DLBZAZTESA-N 2 2 350.463 0.909 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669788 855460677 /nfs/dbraw/zinc/46/06/77/855460677.db2.gz WNPMQMUZVQKGCR-CQSZACIVSA-N 2 2 353.467 0.686 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2c(Cl)nc(Br)cn12 ZINC001218761577 855476187 /nfs/dbraw/zinc/47/61/87/855476187.db2.gz UTNMXMLNTYWORJ-WDSKDSINSA-N 2 2 359.615 0.630 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc3c(Cl)nc(Br)cn23)C1 ZINC001218761574 855476599 /nfs/dbraw/zinc/47/65/99/855476599.db2.gz USRDQFOLFVDPMO-RITPCOANSA-N 2 2 359.615 0.773 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219002833 855509953 /nfs/dbraw/zinc/50/99/53/855509953.db2.gz FQIBIZZZWVFITB-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219002833 855509956 /nfs/dbraw/zinc/50/99/56/855509956.db2.gz FQIBIZZZWVFITB-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219002833 855509957 /nfs/dbraw/zinc/50/99/57/855509957.db2.gz FQIBIZZZWVFITB-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219002833 855509959 /nfs/dbraw/zinc/50/99/59/855509959.db2.gz FQIBIZZZWVFITB-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP COC(=O)NC(=S)N(C(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccccc1N ZINC001219550424 855709571 /nfs/dbraw/zinc/70/95/71/855709571.db2.gz ZYOXKESTJMLMTD-NSHDSACASA-N 2 2 353.448 0.699 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001219652224 855755885 /nfs/dbraw/zinc/75/58/85/855755885.db2.gz JBRPWAGHIQQBAV-MJBXVCDLSA-N 2 2 365.396 0.068 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001219652224 855755894 /nfs/dbraw/zinc/75/58/94/855755894.db2.gz JBRPWAGHIQQBAV-MJBXVCDLSA-N 2 2 365.396 0.068 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1ccc(C(F)(F)F)nc1 ZINC001219691155 855773316 /nfs/dbraw/zinc/77/33/16/855773316.db2.gz LUBYYZXNLUCFMR-CYBMUJFWSA-N 2 2 359.396 0.510 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1O ZINC001219732574 855791058 /nfs/dbraw/zinc/79/10/58/855791058.db2.gz YYSBHDJNHHTOKO-ZACQAIPSSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1O ZINC001219732574 855791060 /nfs/dbraw/zinc/79/10/60/855791060.db2.gz YYSBHDJNHHTOKO-ZACQAIPSSA-N 2 2 352.454 0.731 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765799 855804148 /nfs/dbraw/zinc/80/41/48/855804148.db2.gz CBXMEVZNNVLXMZ-ILXRZTDVSA-N 2 2 354.495 0.236 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765799 855804152 /nfs/dbraw/zinc/80/41/52/855804152.db2.gz CBXMEVZNNVLXMZ-ILXRZTDVSA-N 2 2 354.495 0.236 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765799 855804156 /nfs/dbraw/zinc/80/41/56/855804156.db2.gz CBXMEVZNNVLXMZ-ILXRZTDVSA-N 2 2 354.495 0.236 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219796812 855816686 /nfs/dbraw/zinc/81/66/86/855816686.db2.gz REZGHOVRYQBZBC-PMPSAXMXSA-N 2 2 350.463 0.594 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219796812 855816693 /nfs/dbraw/zinc/81/66/93/855816693.db2.gz REZGHOVRYQBZBC-PMPSAXMXSA-N 2 2 350.463 0.594 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804291 855822279 /nfs/dbraw/zinc/82/22/79/855822279.db2.gz RKFOYTQMHSMQRE-OAGGEKHMSA-N 2 2 350.463 0.739 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804291 855822285 /nfs/dbraw/zinc/82/22/85/855822285.db2.gz RKFOYTQMHSMQRE-OAGGEKHMSA-N 2 2 350.463 0.739 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001219864572 855852205 /nfs/dbraw/zinc/85/22/05/855852205.db2.gz UOMXOJCVZMDONR-CVEARBPZSA-N 2 2 352.479 0.905 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001219864572 855852209 /nfs/dbraw/zinc/85/22/09/855852209.db2.gz UOMXOJCVZMDONR-CVEARBPZSA-N 2 2 352.479 0.905 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897045 855869773 /nfs/dbraw/zinc/86/97/73/855869773.db2.gz VGGBKEAWWJGQSB-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897045 855869781 /nfs/dbraw/zinc/86/97/81/855869781.db2.gz VGGBKEAWWJGQSB-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219897045 855869790 /nfs/dbraw/zinc/86/97/90/855869790.db2.gz VGGBKEAWWJGQSB-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219897045 855869796 /nfs/dbraw/zinc/86/97/96/855869796.db2.gz VGGBKEAWWJGQSB-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP Cc1nn(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(C)c1Br ZINC001219997317 855910999 /nfs/dbraw/zinc/91/09/99/855910999.db2.gz RWZRERGHLMXAAU-SMDDNHRTSA-N 2 2 356.268 0.330 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073948 855946903 /nfs/dbraw/zinc/94/69/03/855946903.db2.gz QWINKCYWHPMDLE-PMPSAXMXSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073948 855946907 /nfs/dbraw/zinc/94/69/07/855946907.db2.gz QWINKCYWHPMDLE-PMPSAXMXSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073948 855946909 /nfs/dbraw/zinc/94/69/09/855946909.db2.gz QWINKCYWHPMDLE-PMPSAXMXSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073948 855946912 /nfs/dbraw/zinc/94/69/12/855946912.db2.gz QWINKCYWHPMDLE-PMPSAXMXSA-N 2 2 354.495 0.066 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078078 855948751 /nfs/dbraw/zinc/94/87/51/855948751.db2.gz IPYDIRWKQSFMBZ-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078078 855948754 /nfs/dbraw/zinc/94/87/54/855948754.db2.gz IPYDIRWKQSFMBZ-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)CN2CC[NH2+]CC2)cs1 ZINC001220129121 855974143 /nfs/dbraw/zinc/97/41/43/855974143.db2.gz XPYDFIZKIGEZER-UHFFFAOYSA-N 2 2 357.549 0.459 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220336107 856071417 /nfs/dbraw/zinc/07/14/17/856071417.db2.gz GQAGPGBPLDCULO-RDBSUJKOSA-N 2 2 369.428 0.847 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220336107 856071422 /nfs/dbraw/zinc/07/14/22/856071422.db2.gz GQAGPGBPLDCULO-RDBSUJKOSA-N 2 2 369.428 0.847 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358110 856082750 /nfs/dbraw/zinc/08/27/50/856082750.db2.gz ZCBLUAVPGFQUFL-CVEARBPZSA-N 2 2 352.435 0.082 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358110 856082758 /nfs/dbraw/zinc/08/27/58/856082758.db2.gz ZCBLUAVPGFQUFL-CVEARBPZSA-N 2 2 352.435 0.082 20 0 FCADLP CSc1ccc(OCCNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001220422729 856118160 /nfs/dbraw/zinc/11/81/60/856118160.db2.gz LUZVEGFZWOJURG-MRXNPFEDSA-N 2 2 352.504 0.654 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681508 856238962 /nfs/dbraw/zinc/23/89/62/856238962.db2.gz JFBMHSGSRDMDRV-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681508 856238972 /nfs/dbraw/zinc/23/89/72/856238972.db2.gz JFBMHSGSRDMDRV-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681508 856238978 /nfs/dbraw/zinc/23/89/78/856238978.db2.gz JFBMHSGSRDMDRV-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220681508 856238989 /nfs/dbraw/zinc/23/89/89/856238989.db2.gz JFBMHSGSRDMDRV-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682199 856239999 /nfs/dbraw/zinc/23/99/99/856239999.db2.gz XKOSMQHKDRGSGG-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682199 856240010 /nfs/dbraw/zinc/24/00/10/856240010.db2.gz XKOSMQHKDRGSGG-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220682199 856240018 /nfs/dbraw/zinc/24/00/18/856240018.db2.gz XKOSMQHKDRGSGG-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682199 856240024 /nfs/dbraw/zinc/24/00/24/856240024.db2.gz XKOSMQHKDRGSGG-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220800036 856306453 /nfs/dbraw/zinc/30/64/53/856306453.db2.gz KRZDZFZTWKKVDH-QIIPPGSGSA-N 2 2 365.861 0.882 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816787 856318006 /nfs/dbraw/zinc/31/80/06/856318006.db2.gz AKPZKWLXTRMKAA-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816787 856318013 /nfs/dbraw/zinc/31/80/13/856318013.db2.gz AKPZKWLXTRMKAA-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816787 856318025 /nfs/dbraw/zinc/31/80/25/856318025.db2.gz AKPZKWLXTRMKAA-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816787 856318033 /nfs/dbraw/zinc/31/80/33/856318033.db2.gz AKPZKWLXTRMKAA-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822153 856323095 /nfs/dbraw/zinc/32/30/95/856323095.db2.gz QHXHKPUQSCHEGZ-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822153 856323100 /nfs/dbraw/zinc/32/31/00/856323100.db2.gz QHXHKPUQSCHEGZ-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822153 856323108 /nfs/dbraw/zinc/32/31/08/856323108.db2.gz QHXHKPUQSCHEGZ-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822153 856323112 /nfs/dbraw/zinc/32/31/12/856323112.db2.gz QHXHKPUQSCHEGZ-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP C[C@@H]([NH3+])c1ncc(C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)s1 ZINC001221007136 856420243 /nfs/dbraw/zinc/42/02/43/856420243.db2.gz XEFJZSDPPOERFP-IJLUTSLNSA-N 2 2 353.492 0.882 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079183 856450883 /nfs/dbraw/zinc/45/08/83/856450883.db2.gz MNFNRKKJHJFKFZ-SJORKVTESA-N 2 2 350.463 0.774 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079183 856450888 /nfs/dbraw/zinc/45/08/88/856450888.db2.gz MNFNRKKJHJFKFZ-SJORKVTESA-N 2 2 350.463 0.774 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154357 856486725 /nfs/dbraw/zinc/48/67/25/856486725.db2.gz MZRVETQVQGGVNS-SJORKVTESA-N 2 2 352.479 0.887 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154357 856486726 /nfs/dbraw/zinc/48/67/26/856486726.db2.gz MZRVETQVQGGVNS-SJORKVTESA-N 2 2 352.479 0.887 20 0 FCADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359048 856554858 /nfs/dbraw/zinc/55/48/58/856554858.db2.gz ZWVVZWUIHPAPLI-JKSUJKDBSA-N 3 2 352.523 0.724 20 0 FCADLP COCC[N@H+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410987 856560160 /nfs/dbraw/zinc/56/01/60/856560160.db2.gz CRCGQAOBKKFBJC-OWCLPIDISA-N 3 2 354.882 0.765 20 0 FCADLP COCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410987 856560163 /nfs/dbraw/zinc/56/01/63/856560163.db2.gz CRCGQAOBKKFBJC-OWCLPIDISA-N 3 2 354.882 0.765 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615453 856624381 /nfs/dbraw/zinc/62/43/81/856624381.db2.gz JGPHYENJTWHJGN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615453 856624387 /nfs/dbraw/zinc/62/43/87/856624387.db2.gz JGPHYENJTWHJGN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615453 856624392 /nfs/dbraw/zinc/62/43/92/856624392.db2.gz JGPHYENJTWHJGN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615453 856624395 /nfs/dbraw/zinc/62/43/95/856624395.db2.gz JGPHYENJTWHJGN-BRWVUGGUSA-N 2 2 350.507 0.633 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001221641233 856634747 /nfs/dbraw/zinc/63/47/47/856634747.db2.gz DGWJCBYUDSBGCC-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001221641233 856634750 /nfs/dbraw/zinc/63/47/50/856634750.db2.gz DGWJCBYUDSBGCC-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001221787471 856684057 /nfs/dbraw/zinc/68/40/57/856684057.db2.gz SPIKIOGXNCWWGO-HZPDHXFCSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001221787471 856684069 /nfs/dbraw/zinc/68/40/69/856684069.db2.gz SPIKIOGXNCWWGO-HZPDHXFCSA-N 2 2 357.520 0.296 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001221816786 856697262 /nfs/dbraw/zinc/69/72/62/856697262.db2.gz BULWGSRYQCKPLX-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001221816786 856697267 /nfs/dbraw/zinc/69/72/67/856697267.db2.gz BULWGSRYQCKPLX-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001221816786 856697271 /nfs/dbraw/zinc/69/72/71/856697271.db2.gz BULWGSRYQCKPLX-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21)CC(C)(C)C ZINC001221816786 856697274 /nfs/dbraw/zinc/69/72/74/856697274.db2.gz BULWGSRYQCKPLX-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001221849157 856709981 /nfs/dbraw/zinc/70/99/81/856709981.db2.gz ZCZRFNWPNUBBNA-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001221849157 856709984 /nfs/dbraw/zinc/70/99/84/856709984.db2.gz ZCZRFNWPNUBBNA-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221921814 856734730 /nfs/dbraw/zinc/73/47/30/856734730.db2.gz KWXMFBZYGSZYBB-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221921814 856734734 /nfs/dbraw/zinc/73/47/34/856734734.db2.gz KWXMFBZYGSZYBB-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221921814 856734735 /nfs/dbraw/zinc/73/47/35/856734735.db2.gz KWXMFBZYGSZYBB-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221921814 856734740 /nfs/dbraw/zinc/73/47/40/856734740.db2.gz KWXMFBZYGSZYBB-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049925 856783671 /nfs/dbraw/zinc/78/36/71/856783671.db2.gz OIVDCVJXYFKERX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049925 856783680 /nfs/dbraw/zinc/78/36/80/856783680.db2.gz OIVDCVJXYFKERX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222049925 856783684 /nfs/dbraw/zinc/78/36/84/856783684.db2.gz OIVDCVJXYFKERX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049925 856783688 /nfs/dbraw/zinc/78/36/88/856783688.db2.gz OIVDCVJXYFKERX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001222054580 856789642 /nfs/dbraw/zinc/78/96/42/856789642.db2.gz YWSUAYYYQZDNTK-DJIMGWMZSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001222054580 856789650 /nfs/dbraw/zinc/78/96/50/856789650.db2.gz YWSUAYYYQZDNTK-DJIMGWMZSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001222054580 856789654 /nfs/dbraw/zinc/78/96/54/856789654.db2.gz YWSUAYYYQZDNTK-DJIMGWMZSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001222054580 856789662 /nfs/dbraw/zinc/78/96/62/856789662.db2.gz YWSUAYYYQZDNTK-DJIMGWMZSA-N 2 2 350.507 0.774 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443185 856839903 /nfs/dbraw/zinc/83/99/03/856839903.db2.gz SYJYMJFYNPUOED-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443185 856839910 /nfs/dbraw/zinc/83/99/10/856839910.db2.gz SYJYMJFYNPUOED-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222443185 856839915 /nfs/dbraw/zinc/83/99/15/856839915.db2.gz SYJYMJFYNPUOED-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222443185 856839918 /nfs/dbraw/zinc/83/99/18/856839918.db2.gz SYJYMJFYNPUOED-IKGGRYGDSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3cnns3)[C@H]2C1 ZINC001223916777 856950178 /nfs/dbraw/zinc/95/01/78/856950178.db2.gz QHDKWCVRDZLDOS-HIFRSBDPSA-N 2 2 353.492 0.539 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnns3)[C@H]2C1 ZINC001223916777 856950184 /nfs/dbraw/zinc/95/01/84/856950184.db2.gz QHDKWCVRDZLDOS-HIFRSBDPSA-N 2 2 353.492 0.539 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696993 857121617 /nfs/dbraw/zinc/12/16/17/857121617.db2.gz PCGUTRNAZXJNSN-HUUCEWRRSA-N 2 2 371.507 0.299 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696993 857121632 /nfs/dbraw/zinc/12/16/32/857121632.db2.gz PCGUTRNAZXJNSN-HUUCEWRRSA-N 2 2 371.507 0.299 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227128673 857145190 /nfs/dbraw/zinc/14/51/90/857145190.db2.gz WBLJKWSZICBYGX-NUEKZKHPSA-N 2 2 368.503 0.507 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801431 857230055 /nfs/dbraw/zinc/23/00/55/857230055.db2.gz ZOMOOIVQEBIRPF-HZPDHXFCSA-N 2 2 351.451 0.122 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229046090 857245855 /nfs/dbraw/zinc/24/58/55/857245855.db2.gz JAMFDXDVKOBMSV-NWANDNLSSA-N 2 2 371.507 0.155 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229046090 857245860 /nfs/dbraw/zinc/24/58/60/857245860.db2.gz JAMFDXDVKOBMSV-NWANDNLSSA-N 2 2 371.507 0.155 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229300572 857264355 /nfs/dbraw/zinc/26/43/55/857264355.db2.gz CFYNXVRQAFCWTQ-ZIAGYGMSSA-N 2 2 351.451 0.122 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347726 857327658 /nfs/dbraw/zinc/32/76/58/857327658.db2.gz JCSGNPZTALHPHJ-HUUCEWRRSA-N 2 2 351.451 0.053 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+](CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235274565 857420862 /nfs/dbraw/zinc/42/08/62/857420862.db2.gz OEGMAQBEPTYLLO-YUELXQCFSA-N 3 2 365.396 0.382 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+](CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235274565 857420866 /nfs/dbraw/zinc/42/08/66/857420866.db2.gz OEGMAQBEPTYLLO-YUELXQCFSA-N 3 2 365.396 0.382 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)O1 ZINC001235581709 857428772 /nfs/dbraw/zinc/42/87/72/857428772.db2.gz QEKMPSJWTMVIFE-OAGGEKHMSA-N 2 2 365.499 0.963 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC001238837548 857482412 /nfs/dbraw/zinc/48/24/12/857482412.db2.gz DZYNKXUUPCTQRN-UHFFFAOYSA-N 2 2 356.673 0.929 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC001239081373 857509162 /nfs/dbraw/zinc/50/91/62/857509162.db2.gz QHXQSOQGZNCYST-KRWDZBQOSA-N 2 2 368.503 0.285 20 0 FCADLP COc1ccc(C)cc1NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438011 857529101 /nfs/dbraw/zinc/52/91/01/857529101.db2.gz AYNHDLXBYVIXEO-UHFFFAOYSA-N 2 2 351.520 0.785 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCCC[NH+]1CCNCC1 ZINC001245971105 857561874 /nfs/dbraw/zinc/56/18/74/857561874.db2.gz FJOXQCKBXKXPGT-ZWKOTPCHSA-N 3 2 356.461 0.471 20 0 FCADLP O=C([C@@H]1C[C@@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1)N1CCSC1 ZINC001246143198 857569372 /nfs/dbraw/zinc/56/93/72/857569372.db2.gz UVFVBBLGMXJLQP-UXLLHSPISA-N 3 2 363.531 0.451 20 0 FCADLP O=C([C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1)N1CCSC1 ZINC001246143197 857569410 /nfs/dbraw/zinc/56/94/10/857569410.db2.gz UVFVBBLGMXJLQP-INMHGKMJSA-N 3 2 363.531 0.451 20 0 FCADLP O=C([C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246259116 857571327 /nfs/dbraw/zinc/57/13/27/857571327.db2.gz ZGDRTCMEUNUWOF-ILXRZTDVSA-N 3 2 354.520 0.141 20 0 FCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699262 857591761 /nfs/dbraw/zinc/59/17/61/857591761.db2.gz ZLQOJQFDTQPBBU-QZTJIDSGSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699262 857591767 /nfs/dbraw/zinc/59/17/67/857591767.db2.gz ZLQOJQFDTQPBBU-QZTJIDSGSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699262 857591777 /nfs/dbraw/zinc/59/17/77/857591777.db2.gz ZLQOJQFDTQPBBU-QZTJIDSGSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699262 857591789 /nfs/dbraw/zinc/59/17/89/857591789.db2.gz ZLQOJQFDTQPBBU-QZTJIDSGSA-N 3 2 352.523 0.141 20 0 FCADLP C[C@@H]1C[C@@H]([N@@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703378 857591808 /nfs/dbraw/zinc/59/18/08/857591808.db2.gz IVKUICUWTHSHJQ-DIKXUDHVSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@@H]1C[C@@H]([N@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703378 857591816 /nfs/dbraw/zinc/59/18/16/857591816.db2.gz IVKUICUWTHSHJQ-DIKXUDHVSA-N 2 2 351.491 0.998 20 0 FCADLP O=S(=O)(c1ccccc1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246791920 857600791 /nfs/dbraw/zinc/60/07/91/857600791.db2.gz SBVPRJNYXKQBBO-HNNXBMFYSA-N 2 2 350.488 0.087 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)COc1cccc(F)c1)NCCc1c[nH]c[nH+]1 ZINC001250830808 857665436 /nfs/dbraw/zinc/66/54/36/857665436.db2.gz IZSARAIYLDBTCS-OAHLLOKOSA-N 2 2 350.394 0.627 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)COc1cccc(F)c1)NCCc1c[nH+]c[nH]1 ZINC001250830808 857665440 /nfs/dbraw/zinc/66/54/40/857665440.db2.gz IZSARAIYLDBTCS-OAHLLOKOSA-N 2 2 350.394 0.627 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)NCCc1c[nH]c[nH+]1 ZINC001251637568 857737822 /nfs/dbraw/zinc/73/78/22/857737822.db2.gz BUEOCYKLKMEJSX-LLVKDONJSA-N 2 2 370.347 0.326 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)NCCc1c[nH+]c[nH]1 ZINC001251637568 857737828 /nfs/dbraw/zinc/73/78/28/857737828.db2.gz BUEOCYKLKMEJSX-LLVKDONJSA-N 2 2 370.347 0.326 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185527 857870263 /nfs/dbraw/zinc/87/02/63/857870263.db2.gz GXPAXAHQIDSQEF-DLBZAZTESA-N 2 2 361.552 0.969 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185527 857870264 /nfs/dbraw/zinc/87/02/64/857870264.db2.gz GXPAXAHQIDSQEF-DLBZAZTESA-N 2 2 361.552 0.969 20 0 FCADLP CCOC(=O)C[NH+]1CCC(n2cncc2CCNC(=O)CC[NH3+])CC1 ZINC001254398834 857969032 /nfs/dbraw/zinc/96/90/32/857969032.db2.gz AXJNVWMNSAWWRA-UHFFFAOYSA-N 2 2 351.451 0.091 20 0 FCADLP CS(=O)(=O)N(CC[NH3+])C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001254991032 857994652 /nfs/dbraw/zinc/99/46/52/857994652.db2.gz XWLBMJQAVDKNQD-ALOPSCKCSA-N 2 2 353.488 0.639 20 0 FCADLP CS(=O)(=O)N(CC[NH3+])C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254991032 857994665 /nfs/dbraw/zinc/99/46/65/857994665.db2.gz XWLBMJQAVDKNQD-ALOPSCKCSA-N 2 2 353.488 0.639 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001255608465 858024094 /nfs/dbraw/zinc/02/40/94/858024094.db2.gz NVYWKASXCOLHCK-PMPSAXMXSA-N 2 2 374.551 0.477 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001255608465 858024101 /nfs/dbraw/zinc/02/41/01/858024101.db2.gz NVYWKASXCOLHCK-PMPSAXMXSA-N 2 2 374.551 0.477 20 0 FCADLP COCCN1CC2(CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](COC)C1=O ZINC001256207707 858057483 /nfs/dbraw/zinc/05/74/83/858057483.db2.gz PANWIUDKCDIGCW-QGZVFWFLSA-N 2 2 353.507 0.914 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616752 862981864 /nfs/dbraw/zinc/98/18/64/862981864.db2.gz HBIDAUHGMZRKDI-INIZCTEOSA-N 2 2 353.492 0.588 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616752 862981871 /nfs/dbraw/zinc/98/18/71/862981871.db2.gz HBIDAUHGMZRKDI-INIZCTEOSA-N 2 2 353.492 0.588 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001261507348 858571780 /nfs/dbraw/zinc/57/17/80/858571780.db2.gz VNCCXJQEANBXTN-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CC1CC(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001261769861 858661875 /nfs/dbraw/zinc/66/18/75/858661875.db2.gz IGEPJDJCGIQGHU-DQPZFDDXSA-N 2 2 350.507 0.776 20 0 FCADLP CC1CC(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001261769861 858661877 /nfs/dbraw/zinc/66/18/77/858661877.db2.gz IGEPJDJCGIQGHU-DQPZFDDXSA-N 2 2 350.507 0.776 20 0 FCADLP CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2)C(N)=[NH2+] ZINC001269992295 859624241 /nfs/dbraw/zinc/62/42/41/859624241.db2.gz FVVUTYFWVUDURU-PHIMTYICSA-N 2 2 351.373 0.066 20 0 FCADLP CN(CC(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2)C(N)=[NH2+] ZINC001269992295 859624245 /nfs/dbraw/zinc/62/42/45/859624245.db2.gz FVVUTYFWVUDURU-PHIMTYICSA-N 2 2 351.373 0.066 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)CC1 ZINC001273847653 860616604 /nfs/dbraw/zinc/61/66/04/860616604.db2.gz HVRPSCKVWIOBJL-ZWKOTPCHSA-N 2 2 351.539 0.107 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)CC1 ZINC001273847653 860616608 /nfs/dbraw/zinc/61/66/08/860616608.db2.gz HVRPSCKVWIOBJL-ZWKOTPCHSA-N 2 2 351.539 0.107 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC001274459383 860756946 /nfs/dbraw/zinc/75/69/46/860756946.db2.gz RJQAVCNWLAXAMI-HNNXBMFYSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C2 ZINC001274459383 860756952 /nfs/dbraw/zinc/75/69/52/860756952.db2.gz RJQAVCNWLAXAMI-HNNXBMFYSA-N 2 2 350.507 0.872 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176832 860979197 /nfs/dbraw/zinc/97/91/97/860979197.db2.gz LPYYOHSMBPWHHY-HKUYNNGSSA-N 2 2 351.539 0.108 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176832 860979209 /nfs/dbraw/zinc/97/92/09/860979209.db2.gz LPYYOHSMBPWHHY-HKUYNNGSSA-N 2 2 351.539 0.108 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)SCC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001279914396 863133252 /nfs/dbraw/zinc/13/32/52/863133252.db2.gz QJVDMASEQFYYKI-HNNXBMFYSA-N 2 2 368.547 0.435 20 0 FCADLP CCS(=O)(=O)CC[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001280076383 863248956 /nfs/dbraw/zinc/24/89/56/863248956.db2.gz YXGLXIKVNPFFTF-UHFFFAOYSA-N 2 2 359.536 0.687 20 0 FCADLP CCS(=O)(=O)CC[NH+]1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001280076383 863248970 /nfs/dbraw/zinc/24/89/70/863248970.db2.gz YXGLXIKVNPFFTF-UHFFFAOYSA-N 2 2 359.536 0.687 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280080211 863251753 /nfs/dbraw/zinc/25/17/53/863251753.db2.gz CXBFXXMLMOTUID-KSZLIROESA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280080211 863251763 /nfs/dbraw/zinc/25/17/63/863251763.db2.gz CXBFXXMLMOTUID-KSZLIROESA-N 2 2 351.491 0.807 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001349878175 866470282 /nfs/dbraw/zinc/47/02/82/866470282.db2.gz AFXUVRHRANKQTB-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001350329912 866566976 /nfs/dbraw/zinc/56/69/76/866566976.db2.gz OFDLTAZXQHBXNK-UHFFFAOYSA-N 2 2 366.487 0.750 20 0 FCADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC001308262101 866710427 /nfs/dbraw/zinc/71/04/27/866710427.db2.gz RNPJURKMSNDLRS-CQSZACIVSA-N 2 2 357.476 0.179 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC001309858274 866933755 /nfs/dbraw/zinc/93/37/55/866933755.db2.gz WRJYRTSNSHAZAT-HNNXBMFYSA-N 2 2 365.459 0.107 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC001309858274 866933774 /nfs/dbraw/zinc/93/37/74/866933774.db2.gz WRJYRTSNSHAZAT-HNNXBMFYSA-N 2 2 365.459 0.107 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC001352229417 867068240 /nfs/dbraw/zinc/06/82/40/867068240.db2.gz BTHBAVNRUHPXQK-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001318857489 867766470 /nfs/dbraw/zinc/76/64/70/867766470.db2.gz OJSDJKVMHDCUGN-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001318857489 867766474 /nfs/dbraw/zinc/76/64/74/867766474.db2.gz OJSDJKVMHDCUGN-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP CN(CC[NH+]1CCCCC1)c1nnc(C[NH+]2CCC(CO)CC2)n1C ZINC001355641235 867825343 /nfs/dbraw/zinc/82/53/43/867825343.db2.gz VJDPSEVDYLEKSX-UHFFFAOYSA-N 2 2 350.511 0.942 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001319772987 867997534 /nfs/dbraw/zinc/99/75/34/867997534.db2.gz RKQPVWVAJWJLKS-LSDHHAIUSA-N 2 2 356.492 0.802 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001357376282 868107248 /nfs/dbraw/zinc/10/72/48/868107248.db2.gz OEKLFDYCRQQFEE-MRXNPFEDSA-N 2 2 368.503 0.209 20 0 FCADLP C[C@@]1(C2CCN(C(=O)NCC[NH+]3CCC([NH3+])CC3)CC2)COC(=O)N1 ZINC001357583215 868137919 /nfs/dbraw/zinc/13/79/19/868137919.db2.gz UEVSKHWGCRDMCK-KRWDZBQOSA-N 2 2 353.467 0.330 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001324387650 869567420 /nfs/dbraw/zinc/56/74/20/869567420.db2.gz UJSLSYCZFGPNNY-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC001324387650 869567427 /nfs/dbraw/zinc/56/74/27/869567427.db2.gz UJSLSYCZFGPNNY-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324609405 869633798 /nfs/dbraw/zinc/63/37/98/869633798.db2.gz YVPJMQHLSAZXNF-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324609405 869633802 /nfs/dbraw/zinc/63/38/02/869633802.db2.gz YVPJMQHLSAZXNF-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP COc1nc(Cl)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1C ZINC001326199460 870206399 /nfs/dbraw/zinc/20/63/99/870206399.db2.gz KDHKEPCOTZFVQZ-GFCCVEGCSA-N 2 2 355.870 0.726 20 0 FCADLP COc1nc(Cl)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1C ZINC001326199460 870206409 /nfs/dbraw/zinc/20/64/09/870206409.db2.gz KDHKEPCOTZFVQZ-GFCCVEGCSA-N 2 2 355.870 0.726 20 0 FCADLP CCN(CC1CCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326623888 870416008 /nfs/dbraw/zinc/41/60/08/870416008.db2.gz OPMIFLGSIUDZJC-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC1CCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326623888 870416019 /nfs/dbraw/zinc/41/60/19/870416019.db2.gz OPMIFLGSIUDZJC-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CS(=O)(=O)CCN1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001326840992 870524457 /nfs/dbraw/zinc/52/44/57/870524457.db2.gz FJQWDEBVRFTVTA-KRWDZBQOSA-N 2 2 359.536 0.338 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)[nH]n1 ZINC001327104580 870671885 /nfs/dbraw/zinc/67/18/85/870671885.db2.gz IKKYWHUCXUUWRX-UHFFFAOYSA-N 2 2 351.451 0.619 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001347186438 872209339 /nfs/dbraw/zinc/20/93/39/872209339.db2.gz NEAKXFPMBNEYFG-ULQDDVLXSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1CN(C)CC[N@H+]1C ZINC001347186438 872209356 /nfs/dbraw/zinc/20/93/56/872209356.db2.gz NEAKXFPMBNEYFG-ULQDDVLXSA-N 2 2 355.527 0.373 20 0 FCADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c[nH+]1 ZINC001348647198 872750785 /nfs/dbraw/zinc/75/07/85/872750785.db2.gz YEBLHSYQGKTWCL-KRWDZBQOSA-N 2 2 350.488 0.868 20 0 FCADLP C[NH+]1CCN(C2CC[NH+]([C@H]3CCN(C4CCOCC4)C3=O)CC2)CC1 ZINC001330705491 872773562 /nfs/dbraw/zinc/77/35/62/872773562.db2.gz KSWQZRSGNSLESK-SFHVURJKSA-N 2 2 350.507 0.478 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001331121117 872969557 /nfs/dbraw/zinc/96/95/57/872969557.db2.gz YNRAJFHQPCNUQX-PMPSAXMXSA-N 2 2 352.479 0.086 20 0 FCADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825464347 947197389 /nfs/dbraw/zinc/19/73/89/947197389.db2.gz BYJWGBGRNUNWKJ-CYBMUJFWSA-N 2 2 357.462 0.945 20 0 FCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574920083 948888177 /nfs/dbraw/zinc/88/81/77/948888177.db2.gz BVUFXNXWWYIMKB-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574943301 949377689 /nfs/dbraw/zinc/37/76/89/949377689.db2.gz VVPKYHDZSKAIKQ-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574943301 949377706 /nfs/dbraw/zinc/37/77/06/949377706.db2.gz VVPKYHDZSKAIKQ-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574948377 949464462 /nfs/dbraw/zinc/46/44/62/949464462.db2.gz IIHHDBKDJSBBLN-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574948377 949464472 /nfs/dbraw/zinc/46/44/72/949464472.db2.gz IIHHDBKDJSBBLN-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001570963578 950093787 /nfs/dbraw/zinc/09/37/87/950093787.db2.gz ZBRNLBHHHLBZKF-UHFFFAOYSA-N 2 2 353.390 0.197 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576205324 950507629 /nfs/dbraw/zinc/50/76/29/950507629.db2.gz XGHACIWMEGKFMK-OLZOCXBDSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576205324 950507643 /nfs/dbraw/zinc/50/76/43/950507643.db2.gz XGHACIWMEGKFMK-OLZOCXBDSA-N 2 2 358.450 0.544 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981788 950615244 /nfs/dbraw/zinc/61/52/44/950615244.db2.gz UZSNAWKEXKSZLG-IUODEOHRSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981788 950615259 /nfs/dbraw/zinc/61/52/59/950615259.db2.gz UZSNAWKEXKSZLG-IUODEOHRSA-N 2 2 356.434 0.441 20 0 FCADLP O[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001570993334 950935066 /nfs/dbraw/zinc/93/50/66/950935066.db2.gz DZJNJLNCINZGHL-IAGOWNOFSA-N 2 2 358.446 0.571 20 0 FCADLP Cc1cc(N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039049 951651084 /nfs/dbraw/zinc/65/10/84/951651084.db2.gz XBCHPPPTNRWQHH-GFCCVEGCSA-N 2 2 367.417 0.361 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091264 951771400 /nfs/dbraw/zinc/77/14/00/951771400.db2.gz PILKUGPXESOHQZ-ZDUSSCGKSA-N 2 2 354.418 0.605 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105187 951891414 /nfs/dbraw/zinc/89/14/14/951891414.db2.gz HUZQKJFMZQIKFY-CYBMUJFWSA-N 2 2 368.445 0.685 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113784 951945900 /nfs/dbraw/zinc/94/59/00/951945900.db2.gz GAVRIDLGHBPZCF-ZDUSSCGKSA-N 2 2 354.418 0.605 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571078871 952134712 /nfs/dbraw/zinc/13/47/12/952134712.db2.gz VYXDTSJTKBXSSH-CABCVRRESA-N 2 2 370.461 0.427 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571078871 952134715 /nfs/dbraw/zinc/13/47/15/952134715.db2.gz VYXDTSJTKBXSSH-CABCVRRESA-N 2 2 370.461 0.427 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000291599737 214045115 /nfs/dbraw/zinc/04/51/15/214045115.db2.gz BWQUZJABEVEPPN-CQSZACIVSA-N 2 2 364.446 0.980 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000291599737 214045117 /nfs/dbraw/zinc/04/51/17/214045117.db2.gz BWQUZJABEVEPPN-CQSZACIVSA-N 2 2 364.446 0.980 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)cn2cc[nH+]c12 ZINC000293199459 214154633 /nfs/dbraw/zinc/15/46/33/214154633.db2.gz WFAOCBARKSDBTM-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)cn2cc[nH+]c12 ZINC000293199459 214154636 /nfs/dbraw/zinc/15/46/36/214154636.db2.gz WFAOCBARKSDBTM-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293628497 214188499 /nfs/dbraw/zinc/18/84/99/214188499.db2.gz HKUXTDNEZDSAGN-MRXNPFEDSA-N 2 2 371.441 0.904 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000293493533 214179105 /nfs/dbraw/zinc/17/91/05/214179105.db2.gz GRJAPOFHYPNBGM-CQSZACIVSA-N 2 2 358.450 0.200 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000293854105 214205248 /nfs/dbraw/zinc/20/52/48/214205248.db2.gz YNXWGOMQNDWFNJ-GOEBONIOSA-N 2 2 371.441 0.903 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cn2cc[nH+]c12 ZINC000293854112 214205485 /nfs/dbraw/zinc/20/54/85/214205485.db2.gz YNXWGOMQNDWFNJ-ZBFHGGJFSA-N 2 2 371.441 0.903 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cn2cc[nH+]c12 ZINC000293854103 214205180 /nfs/dbraw/zinc/20/51/80/214205180.db2.gz YNXWGOMQNDWFNJ-GDBMZVCRSA-N 2 2 371.441 0.903 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000295603376 214307716 /nfs/dbraw/zinc/30/77/16/214307716.db2.gz NGRSPFBMTYMYME-IXDOHACOSA-N 2 2 358.486 0.820 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000295603376 214307719 /nfs/dbraw/zinc/30/77/19/214307719.db2.gz NGRSPFBMTYMYME-IXDOHACOSA-N 2 2 358.486 0.820 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000265872188 210240078 /nfs/dbraw/zinc/24/00/78/210240078.db2.gz QARQDZUIMVCIJD-MRXNPFEDSA-N 2 2 363.458 0.727 20 0 FCADLP CN1CCN(c2cc(NCCc3cn4c([nH+]3)CCCC4)[nH+]cn2)CC1=O ZINC000302783780 214770403 /nfs/dbraw/zinc/77/04/03/214770403.db2.gz LHKWVQRZGSMRSH-UHFFFAOYSA-N 2 2 355.446 0.942 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000410864445 529696655 /nfs/dbraw/zinc/69/66/55/529696655.db2.gz SCSQYKGAOCXYRR-KRWDZBQOSA-N 2 2 373.501 0.981 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410900421 529918582 /nfs/dbraw/zinc/91/85/82/529918582.db2.gz QUDBGVCLDQKLBD-DLBZAZTESA-N 2 2 368.522 0.233 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410900421 529918584 /nfs/dbraw/zinc/91/85/84/529918584.db2.gz QUDBGVCLDQKLBD-DLBZAZTESA-N 2 2 368.522 0.233 20 0 FCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000168183509 529962212 /nfs/dbraw/zinc/96/22/12/529962212.db2.gz IDDQAUUNFLSQRP-CQSZACIVSA-N 2 2 366.487 0.012 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331479041 215002119 /nfs/dbraw/zinc/00/21/19/215002119.db2.gz PXTGDESNTLKPDV-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331479044 215002769 /nfs/dbraw/zinc/00/27/69/215002769.db2.gz PXTGDESNTLKPDV-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512177 215006993 /nfs/dbraw/zinc/00/69/93/215006993.db2.gz MKMMEFXOJHNQGS-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512177 215006995 /nfs/dbraw/zinc/00/69/95/215006995.db2.gz MKMMEFXOJHNQGS-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331512177 215006998 /nfs/dbraw/zinc/00/69/98/215006998.db2.gz MKMMEFXOJHNQGS-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331512177 215007001 /nfs/dbraw/zinc/00/70/01/215007001.db2.gz MKMMEFXOJHNQGS-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331576791 215017690 /nfs/dbraw/zinc/01/76/90/215017690.db2.gz MCQNYMROSLAHSN-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331576791 215017693 /nfs/dbraw/zinc/01/76/93/215017693.db2.gz MCQNYMROSLAHSN-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834320 215053997 /nfs/dbraw/zinc/05/39/97/215053997.db2.gz BTJIDRPIFDHEBZ-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834320 215054002 /nfs/dbraw/zinc/05/40/02/215054002.db2.gz BTJIDRPIFDHEBZ-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000331834320 215054004 /nfs/dbraw/zinc/05/40/04/215054004.db2.gz BTJIDRPIFDHEBZ-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000331834320 215054008 /nfs/dbraw/zinc/05/40/08/215054008.db2.gz BTJIDRPIFDHEBZ-HOTGVXAUSA-N 2 2 368.478 0.324 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331886029 215062222 /nfs/dbraw/zinc/06/22/22/215062222.db2.gz WEBGQRYLRDNQPJ-HNNXBMFYSA-N 2 2 365.503 0.396 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331886029 215062225 /nfs/dbraw/zinc/06/22/25/215062225.db2.gz WEBGQRYLRDNQPJ-HNNXBMFYSA-N 2 2 365.503 0.396 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCO1 ZINC000265079716 210050300 /nfs/dbraw/zinc/05/03/00/210050300.db2.gz JNCVCCIFNBLKGJ-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCO1 ZINC000265079716 210050301 /nfs/dbraw/zinc/05/03/01/210050301.db2.gz JNCVCCIFNBLKGJ-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)Nc1ccc(F)cc1 ZINC000331991682 215075969 /nfs/dbraw/zinc/07/59/69/215075969.db2.gz PIGOJYNTOMSKIS-UHFFFAOYSA-N 2 2 351.422 0.923 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000332256308 215117340 /nfs/dbraw/zinc/11/73/40/215117340.db2.gz AECMPVYUDOHFIS-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000332470116 215156445 /nfs/dbraw/zinc/15/64/45/215156445.db2.gz MUBWYWUNNBKDGK-KGLIPLIRSA-N 2 2 350.488 0.774 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000332518253 215165815 /nfs/dbraw/zinc/16/58/15/215165815.db2.gz IRPSTKBPNZEYCU-LSDHHAIUSA-N 2 2 360.458 0.969 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332498233 215162395 /nfs/dbraw/zinc/16/23/95/215162395.db2.gz XRFOPEOOBIDHDL-UKRRQHHQSA-N 2 2 350.488 0.903 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000332542568 215175084 /nfs/dbraw/zinc/17/50/84/215175084.db2.gz XXNVYTHOYMDUPB-BBWFWOEESA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000332542568 215175088 /nfs/dbraw/zinc/17/50/88/215175088.db2.gz XXNVYTHOYMDUPB-BBWFWOEESA-N 2 2 358.486 0.928 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332704010 215205797 /nfs/dbraw/zinc/20/57/97/215205797.db2.gz XPNCLKLTOQULNB-YVSFHVDLSA-N 2 2 366.506 0.141 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018886 215224083 /nfs/dbraw/zinc/22/40/83/215224083.db2.gz HTKWPAUAXLMGNH-JKSUJKDBSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018886 215224085 /nfs/dbraw/zinc/22/40/85/215224085.db2.gz HTKWPAUAXLMGNH-JKSUJKDBSA-N 2 2 372.535 0.039 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000333116496 215238280 /nfs/dbraw/zinc/23/82/80/215238280.db2.gz YURQBXNJGUIFFL-UHFFFAOYSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333126847 215239742 /nfs/dbraw/zinc/23/97/42/215239742.db2.gz VWOVZQZLTZAJQM-BBRMVZONSA-N 2 2 351.495 0.511 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000333499510 215289921 /nfs/dbraw/zinc/28/99/21/215289921.db2.gz FGWCXZMHCSFPBZ-DAWZGUTISA-N 2 2 367.538 0.301 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333499510 215289925 /nfs/dbraw/zinc/28/99/25/215289925.db2.gz FGWCXZMHCSFPBZ-DAWZGUTISA-N 2 2 367.538 0.301 20 0 FCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cs1 ZINC000333654008 215305132 /nfs/dbraw/zinc/30/51/32/215305132.db2.gz KIIJTXKOGREUPJ-HNNXBMFYSA-N 2 2 353.492 0.657 20 0 FCADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cs1 ZINC000333654008 215305135 /nfs/dbraw/zinc/30/51/35/215305135.db2.gz KIIJTXKOGREUPJ-HNNXBMFYSA-N 2 2 353.492 0.657 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000333686057 215309478 /nfs/dbraw/zinc/30/94/78/215309478.db2.gz PHIRQLVRBMNWHO-BBWFWOEESA-N 2 2 365.522 0.713 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[N@@H+](CC)CC2)([NH+]2CCOCC2)C1 ZINC000333776210 215318653 /nfs/dbraw/zinc/31/86/53/215318653.db2.gz ZHIVDOBCKDLWTM-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000333811792 215322262 /nfs/dbraw/zinc/32/22/62/215322262.db2.gz GUXINQPUYYAOIE-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C ZINC000333811792 215322263 /nfs/dbraw/zinc/32/22/63/215322263.db2.gz GUXINQPUYYAOIE-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000333840676 215323953 /nfs/dbraw/zinc/32/39/53/215323953.db2.gz ODZPBAPNPAAWLI-OAGGEKHMSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333846970 215324934 /nfs/dbraw/zinc/32/49/34/215324934.db2.gz PHTIWZVLUTUZOY-INIZCTEOSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333880179 215327764 /nfs/dbraw/zinc/32/77/64/215327764.db2.gz WAHFJKTUUHBKLK-VQIMIIECSA-N 2 2 365.522 0.714 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@H]2C1 ZINC000285617883 213367442 /nfs/dbraw/zinc/36/74/42/213367442.db2.gz MPUNNRLPJCBROT-SJORKVTESA-N 2 2 371.485 0.851 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@H]2C1 ZINC000285617883 213367445 /nfs/dbraw/zinc/36/74/45/213367445.db2.gz MPUNNRLPJCBROT-SJORKVTESA-N 2 2 371.485 0.851 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CSCC[NH+](CC)CC)CC1 ZINC000361451811 215394808 /nfs/dbraw/zinc/39/48/08/215394808.db2.gz JNMWQPXLIRBMMW-UHFFFAOYSA-N 2 2 358.552 0.732 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CSCC[NH+](CC)CC)CC1 ZINC000361451811 215394815 /nfs/dbraw/zinc/39/48/15/215394815.db2.gz JNMWQPXLIRBMMW-UHFFFAOYSA-N 2 2 358.552 0.732 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000361491227 215396336 /nfs/dbraw/zinc/39/63/36/215396336.db2.gz RLNCCQZCPBIKOL-INIZCTEOSA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000361491227 215396338 /nfs/dbraw/zinc/39/63/38/215396338.db2.gz RLNCCQZCPBIKOL-INIZCTEOSA-N 2 2 367.490 0.442 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000285355498 213329635 /nfs/dbraw/zinc/32/96/35/213329635.db2.gz GNORVNLYVWSQTI-UHFFFAOYSA-N 2 2 370.457 0.745 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000285355498 213329638 /nfs/dbraw/zinc/32/96/38/213329638.db2.gz GNORVNLYVWSQTI-UHFFFAOYSA-N 2 2 370.457 0.745 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCC[NH+]1CCSCC1)Cc1ccccc1 ZINC000284934829 213251782 /nfs/dbraw/zinc/25/17/82/213251782.db2.gz JDPWPCGDRXVORC-UHFFFAOYSA-N 2 2 364.515 0.400 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCC[NH+]1CCSCC1)Cc1ccccc1 ZINC000284934829 213251786 /nfs/dbraw/zinc/25/17/86/213251786.db2.gz JDPWPCGDRXVORC-UHFFFAOYSA-N 2 2 364.515 0.400 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000284763073 213215495 /nfs/dbraw/zinc/21/54/95/213215495.db2.gz RKAVKNRCVNXUMP-UHFFFAOYSA-N 2 2 355.442 0.949 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CCC(=O)N1C1CC1 ZINC000284757859 213212971 /nfs/dbraw/zinc/21/29/71/213212971.db2.gz YBBWEDMEVCLKHU-DDUZABMNSA-N 2 2 359.474 0.930 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)CCC(=O)N1C1CC1 ZINC000284757859 213212973 /nfs/dbraw/zinc/21/29/73/213212973.db2.gz YBBWEDMEVCLKHU-DDUZABMNSA-N 2 2 359.474 0.930 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000284738018 213208048 /nfs/dbraw/zinc/20/80/48/213208048.db2.gz HKLBTFQPLXRDRN-UHFFFAOYSA-N 2 2 369.469 0.952 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c[nH+]1 ZINC000284664333 213192563 /nfs/dbraw/zinc/19/25/63/213192563.db2.gz UFVQDWWBDYPCHQ-UHFFFAOYSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c[nH+]1 ZINC000284635878 213185118 /nfs/dbraw/zinc/18/51/18/213185118.db2.gz RQQSPPMKQUJXBG-HZPDHXFCSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c[nH+]1 ZINC000284635878 213185121 /nfs/dbraw/zinc/18/51/21/213185121.db2.gz RQQSPPMKQUJXBG-HZPDHXFCSA-N 2 2 359.474 0.707 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284570481 213170353 /nfs/dbraw/zinc/17/03/53/213170353.db2.gz NDDFJMQNRTWHAT-UHFFFAOYSA-N 2 2 369.469 0.906 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284570481 213170355 /nfs/dbraw/zinc/17/03/55/213170355.db2.gz NDDFJMQNRTWHAT-UHFFFAOYSA-N 2 2 369.469 0.906 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c[nH+]1 ZINC000284425311 213136619 /nfs/dbraw/zinc/13/66/19/213136619.db2.gz OKNLFQRRJIFZPU-AWEZNQCLSA-N 2 2 359.430 0.776 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364218094 215651065 /nfs/dbraw/zinc/65/10/65/215651065.db2.gz WETCJTZKOADVEO-SJORKVTESA-N 2 2 350.507 0.921 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340144 213115187 /nfs/dbraw/zinc/11/51/87/213115187.db2.gz KFLDCMZAMANFMB-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340144 213115189 /nfs/dbraw/zinc/11/51/89/213115189.db2.gz KFLDCMZAMANFMB-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340144 213115192 /nfs/dbraw/zinc/11/51/92/213115192.db2.gz KFLDCMZAMANFMB-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340144 213115195 /nfs/dbraw/zinc/11/51/95/213115195.db2.gz KFLDCMZAMANFMB-GOSISDBHSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326900 213112519 /nfs/dbraw/zinc/11/25/19/213112519.db2.gz LDGXMKLFYIYZFE-ZBFHGGJFSA-N 2 2 357.458 0.792 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326900 213112523 /nfs/dbraw/zinc/11/25/23/213112523.db2.gz LDGXMKLFYIYZFE-ZBFHGGJFSA-N 2 2 357.458 0.792 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000284064554 213067547 /nfs/dbraw/zinc/06/75/47/213067547.db2.gz UJYOEDKSBCOQMR-OAHLLOKOSA-N 2 2 373.457 0.645 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000283998654 213052318 /nfs/dbraw/zinc/05/23/18/213052318.db2.gz NDEPLAKVKTXZCC-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000283998654 213052319 /nfs/dbraw/zinc/05/23/19/213052319.db2.gz NDEPLAKVKTXZCC-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000283974256 213046886 /nfs/dbraw/zinc/04/68/86/213046886.db2.gz NWLTXDQECIPTAJ-HNNXBMFYSA-N 2 2 373.457 0.568 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000283974256 213046890 /nfs/dbraw/zinc/04/68/90/213046890.db2.gz NWLTXDQECIPTAJ-HNNXBMFYSA-N 2 2 373.457 0.568 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000283981339 213048844 /nfs/dbraw/zinc/04/88/44/213048844.db2.gz MIVQSUJGMRLTOO-INIZCTEOSA-N 2 2 355.442 0.990 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283795492 213010336 /nfs/dbraw/zinc/01/03/36/213010336.db2.gz HCXORNDEJVLIHA-HNNXBMFYSA-N 2 2 355.442 0.562 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283795492 213010337 /nfs/dbraw/zinc/01/03/37/213010337.db2.gz HCXORNDEJVLIHA-HNNXBMFYSA-N 2 2 355.442 0.562 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000411925659 237105923 /nfs/dbraw/zinc/10/59/23/237105923.db2.gz UAHMMDDSBDRCDT-WDSOQIARSA-N 2 2 361.486 0.973 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000411925659 237105931 /nfs/dbraw/zinc/10/59/31/237105931.db2.gz UAHMMDDSBDRCDT-WDSOQIARSA-N 2 2 361.486 0.973 20 0 FCADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732973 216024113 /nfs/dbraw/zinc/02/41/13/216024113.db2.gz YOVALNXZQMTAAB-INIZCTEOSA-N 2 2 361.490 0.998 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC2(CCOCC2)O1 ZINC000366732973 216024116 /nfs/dbraw/zinc/02/41/16/216024116.db2.gz YOVALNXZQMTAAB-INIZCTEOSA-N 2 2 361.490 0.998 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000413235629 237297150 /nfs/dbraw/zinc/29/71/50/237297150.db2.gz JQBZMIJQCQHCBA-JKSUJKDBSA-N 2 2 372.510 0.084 20 0 FCADLP C[NH+](C)CC1(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1 ZINC000366903015 216047332 /nfs/dbraw/zinc/04/73/32/216047332.db2.gz MIMYRHAZSYELHN-UHFFFAOYSA-N 2 2 350.467 0.821 20 0 FCADLP O=C1C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)CN1CC[NH+]1CCOCC1 ZINC000367085618 216073084 /nfs/dbraw/zinc/07/30/84/216073084.db2.gz QQUDHBFIQIKRNC-SJORKVTESA-N 2 2 351.491 0.858 20 0 FCADLP Cn1c2[nH]c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)nc2c(=O)n(C)c1=O ZINC000367198547 216090013 /nfs/dbraw/zinc/09/00/13/216090013.db2.gz CPONGEJPEBPTBC-UHFFFAOYSA-N 2 2 360.462 0.268 20 0 FCADLP Cn1c2[nH]c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)nc2c(=O)n(C)c1=O ZINC000367198547 216090017 /nfs/dbraw/zinc/09/00/17/216090017.db2.gz CPONGEJPEBPTBC-UHFFFAOYSA-N 2 2 360.462 0.268 20 0 FCADLP CN1CC[NH+](CC2(C)CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000367305396 216105328 /nfs/dbraw/zinc/10/53/28/216105328.db2.gz NACOLWNXHQQASF-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000367940249 216181451 /nfs/dbraw/zinc/18/14/51/216181451.db2.gz DIHRKMBOOIOVCT-ZBFHGGJFSA-N 2 2 351.447 0.461 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000367940249 216181454 /nfs/dbraw/zinc/18/14/54/216181454.db2.gz DIHRKMBOOIOVCT-ZBFHGGJFSA-N 2 2 351.447 0.461 20 0 FCADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000367940247 216181567 /nfs/dbraw/zinc/18/15/67/216181567.db2.gz DIHRKMBOOIOVCT-GOEBONIOSA-N 2 2 351.447 0.461 20 0 FCADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000367940247 216181569 /nfs/dbraw/zinc/18/15/69/216181569.db2.gz DIHRKMBOOIOVCT-GOEBONIOSA-N 2 2 351.447 0.461 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1CCOC ZINC000368022204 216194001 /nfs/dbraw/zinc/19/40/01/216194001.db2.gz ALRZNAHRXGLMCU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368022204 216194002 /nfs/dbraw/zinc/19/40/02/216194002.db2.gz ALRZNAHRXGLMCU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022204 216194003 /nfs/dbraw/zinc/19/40/03/216194003.db2.gz ALRZNAHRXGLMCU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022204 216194005 /nfs/dbraw/zinc/19/40/05/216194005.db2.gz ALRZNAHRXGLMCU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC000368092126 216201377 /nfs/dbraw/zinc/20/13/77/216201377.db2.gz JAJUAOCYCQDWIA-MRXNPFEDSA-N 2 2 369.473 0.482 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180784 216211796 /nfs/dbraw/zinc/21/17/96/216211796.db2.gz POFNWUNAFMRILB-KFWWJZLASA-N 2 2 355.479 0.628 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180784 216211799 /nfs/dbraw/zinc/21/17/99/216211799.db2.gz POFNWUNAFMRILB-KFWWJZLASA-N 2 2 355.479 0.628 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000245834780 209377817 /nfs/dbraw/zinc/37/78/17/209377817.db2.gz CGWCRTALXJZHLA-YESZJQIVSA-N 2 2 351.491 0.857 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000245904828 209377010 /nfs/dbraw/zinc/37/70/10/209377010.db2.gz SWRBNDVHUHVADF-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000245904828 209377014 /nfs/dbraw/zinc/37/70/14/209377014.db2.gz SWRBNDVHUHVADF-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)c2cc1C ZINC000368213088 216217616 /nfs/dbraw/zinc/21/76/16/216217616.db2.gz SDUJNUDMSPJZEM-GJZGRUSLSA-N 2 2 366.487 0.767 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](S(N)(=O)=O)C3)c2cc1C ZINC000368213088 216217619 /nfs/dbraw/zinc/21/76/19/216217619.db2.gz SDUJNUDMSPJZEM-GJZGRUSLSA-N 2 2 366.487 0.767 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn(CC4(C)COC4)nn3)C2)CC1 ZINC000368282374 216227546 /nfs/dbraw/zinc/22/75/46/216227546.db2.gz FFSATCBOYUTPJY-CQSZACIVSA-N 2 2 362.478 0.213 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn(CC4(C)COC4)nn3)C2)CC1 ZINC000368282374 216227547 /nfs/dbraw/zinc/22/75/47/216227547.db2.gz FFSATCBOYUTPJY-CQSZACIVSA-N 2 2 362.478 0.213 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000237845456 209358896 /nfs/dbraw/zinc/35/88/96/209358896.db2.gz JJEQMMSCQPYUFF-AEFFLSMTSA-N 2 2 367.453 0.681 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237416715 209353016 /nfs/dbraw/zinc/35/30/16/209353016.db2.gz PFRIJDZKSQKUHS-MRXNPFEDSA-N 2 2 350.507 0.921 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000237443930 209352333 /nfs/dbraw/zinc/35/23/33/209352333.db2.gz KXMDCGLEWPAKBU-DLBZAZTESA-N 2 2 374.485 0.697 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000237443392 209352452 /nfs/dbraw/zinc/35/24/52/209352452.db2.gz KXMDCGLEWPAKBU-SJORKVTESA-N 2 2 374.485 0.697 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000237299835 209350494 /nfs/dbraw/zinc/35/04/94/209350494.db2.gz FBWPRVBUKBZKEQ-HNNXBMFYSA-N 2 2 362.474 0.425 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000237277924 209349954 /nfs/dbraw/zinc/34/99/54/209349954.db2.gz ZQZPQLPWZCVMFM-MRXNPFEDSA-N 2 2 360.458 0.525 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3([NH3+])CC3)c2)CC1 ZINC000236969505 209346183 /nfs/dbraw/zinc/34/61/83/209346183.db2.gz HAINTQJWYIZIJW-UHFFFAOYSA-N 2 2 352.460 0.443 20 0 FCADLP CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000236991725 209345448 /nfs/dbraw/zinc/34/54/48/209345448.db2.gz WFLJFUWSELIYSJ-JKSUJKDBSA-N 2 2 355.504 0.730 20 0 FCADLP COCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000194605629 209326819 /nfs/dbraw/zinc/32/68/19/209326819.db2.gz RQFHBQJVUOJOMA-UHFFFAOYSA-N 2 2 374.529 0.903 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000193694969 209318567 /nfs/dbraw/zinc/31/85/67/209318567.db2.gz RWOWXNIUUHHGLD-HNNXBMFYSA-N 2 2 356.430 0.727 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000194954912 209330355 /nfs/dbraw/zinc/33/03/55/209330355.db2.gz XMSFNOGENADONR-TWMKSMIVSA-N 2 2 356.511 0.846 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000194954912 209330357 /nfs/dbraw/zinc/33/03/57/209330357.db2.gz XMSFNOGENADONR-TWMKSMIVSA-N 2 2 356.511 0.846 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C(=O)NCC[C@@H]3C)CC2)c1 ZINC000193565303 209314209 /nfs/dbraw/zinc/31/42/09/209314209.db2.gz TZGLHDWZGCWEJK-QFBILLFUSA-N 2 2 358.486 0.753 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3C(=O)NCC[C@@H]3C)CC2)c1 ZINC000193565317 209314250 /nfs/dbraw/zinc/31/42/50/209314250.db2.gz TZGLHDWZGCWEJK-LPHOPBHVSA-N 2 2 358.486 0.753 20 0 FCADLP CN(C(=O)NCCCO[C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368434809 216246283 /nfs/dbraw/zinc/24/62/83/216246283.db2.gz UWQJIWGDMNXGRU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCCO[C@@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368434809 216246287 /nfs/dbraw/zinc/24/62/87/216246287.db2.gz UWQJIWGDMNXGRU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642651 216274789 /nfs/dbraw/zinc/27/47/89/216274789.db2.gz LDBCGRSYMRVWGE-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642651 216274791 /nfs/dbraw/zinc/27/47/91/216274791.db2.gz LDBCGRSYMRVWGE-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642651 216274794 /nfs/dbraw/zinc/27/47/94/216274794.db2.gz LDBCGRSYMRVWGE-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C[C@@H]1CC ZINC000368642651 216274795 /nfs/dbraw/zinc/27/47/95/216274795.db2.gz LDBCGRSYMRVWGE-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000192276195 209299569 /nfs/dbraw/zinc/29/95/69/209299569.db2.gz OGRKSTIWNOIUCY-UHFFFAOYSA-N 2 2 350.492 0.652 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000192276195 209299570 /nfs/dbraw/zinc/29/95/70/209299570.db2.gz OGRKSTIWNOIUCY-UHFFFAOYSA-N 2 2 350.492 0.652 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790495 216297420 /nfs/dbraw/zinc/29/74/20/216297420.db2.gz MBQBAWHZPDWJDY-BXUZGUMPSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790495 216297422 /nfs/dbraw/zinc/29/74/22/216297422.db2.gz MBQBAWHZPDWJDY-BXUZGUMPSA-N 2 2 352.401 0.767 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000368950305 216322775 /nfs/dbraw/zinc/32/27/75/216322775.db2.gz LWDSKUPESURAFL-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000368950305 216322778 /nfs/dbraw/zinc/32/27/78/216322778.db2.gz LWDSKUPESURAFL-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931283274 674107015 /nfs/dbraw/zinc/10/70/15/674107015.db2.gz HZTRIRNZRFUWQC-FVQHAEBGSA-N 2 2 353.488 0.808 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931283274 674107013 /nfs/dbraw/zinc/10/70/13/674107013.db2.gz HZTRIRNZRFUWQC-FVQHAEBGSA-N 2 2 353.488 0.808 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369260946 216372426 /nfs/dbraw/zinc/37/24/26/216372426.db2.gz ZJHAYSKGXPPNBH-QFBILLFUSA-N 2 2 362.522 0.509 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000369260946 216372429 /nfs/dbraw/zinc/37/24/29/216372429.db2.gz ZJHAYSKGXPPNBH-QFBILLFUSA-N 2 2 362.522 0.509 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372269 216390868 /nfs/dbraw/zinc/39/08/68/216390868.db2.gz HJMVANZAUQDKCY-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372269 216390870 /nfs/dbraw/zinc/39/08/70/216390870.db2.gz HJMVANZAUQDKCY-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@](=O)C1 ZINC000369361563 216390027 /nfs/dbraw/zinc/39/00/27/216390027.db2.gz GACRJXVRFRIHGH-IVCQMTBJSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@](=O)C1 ZINC000369361563 216390029 /nfs/dbraw/zinc/39/00/29/216390029.db2.gz GACRJXVRFRIHGH-IVCQMTBJSA-N 2 2 364.515 0.821 20 0 FCADLP COCCO[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000189738388 209260460 /nfs/dbraw/zinc/26/04/60/209260460.db2.gz OLUUEFSNTZCRRL-KRWDZBQOSA-N 2 2 362.474 0.858 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000189278444 209247926 /nfs/dbraw/zinc/24/79/26/209247926.db2.gz BYRMBIQTNYDYRG-ZNMIVQPWSA-N 2 2 353.488 0.923 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000277681430 212388319 /nfs/dbraw/zinc/38/83/19/212388319.db2.gz UCXHCQDWJLIKCV-UHFFFAOYSA-N 2 2 373.501 0.575 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188282934 209229254 /nfs/dbraw/zinc/22/92/54/209229254.db2.gz RGZYLDSEVFGANJ-IBGZPJMESA-N 2 2 362.474 0.791 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188282934 209229259 /nfs/dbraw/zinc/22/92/59/209229259.db2.gz RGZYLDSEVFGANJ-IBGZPJMESA-N 2 2 362.474 0.791 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188282934 209229264 /nfs/dbraw/zinc/22/92/64/209229264.db2.gz RGZYLDSEVFGANJ-IBGZPJMESA-N 2 2 362.474 0.791 20 0 FCADLP Nc1cc[nH+]cc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000188153456 209223640 /nfs/dbraw/zinc/22/36/40/209223640.db2.gz DMVBHQJWWPXPHR-UHFFFAOYSA-N 2 2 353.426 0.738 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000187304741 209211888 /nfs/dbraw/zinc/21/18/88/209211888.db2.gz MBVDQHGAICAZOX-SJORKVTESA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000187304741 209211890 /nfs/dbraw/zinc/21/18/90/209211890.db2.gz MBVDQHGAICAZOX-SJORKVTESA-N 2 2 370.538 0.830 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000275471681 212033204 /nfs/dbraw/zinc/03/32/04/212033204.db2.gz OWXWXPGHIQOHTH-GOSISDBHSA-N 2 2 360.502 0.329 20 0 FCADLP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000414833757 245324321 /nfs/dbraw/zinc/32/43/21/245324321.db2.gz QBGCFCNALIAGQJ-UHFFFAOYSA-N 2 2 370.457 0.802 20 0 FCADLP CN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415025371 245342879 /nfs/dbraw/zinc/34/28/79/245342879.db2.gz QTSRGAPXKDJXDY-UHFFFAOYSA-N 2 2 355.464 0.045 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000415079269 245347002 /nfs/dbraw/zinc/34/70/02/245347002.db2.gz JTWYLEHNFJBLJL-YOEHRIQHSA-N 2 2 360.458 0.968 20 0 FCADLP C[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000415237025 245365606 /nfs/dbraw/zinc/36/56/06/245365606.db2.gz HKRHTIONBWMAHY-HOCLYGCPSA-N 2 2 350.467 0.806 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000415243178 245367160 /nfs/dbraw/zinc/36/71/60/245367160.db2.gz VPBXZNXUBGGZCB-GOEBONIOSA-N 2 2 350.467 0.854 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415268456 245374734 /nfs/dbraw/zinc/37/47/34/245374734.db2.gz JSGDZWNXRISCEE-GOEBONIOSA-N 2 2 360.458 0.968 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000415280369 245375699 /nfs/dbraw/zinc/37/56/99/245375699.db2.gz GGOMHDYXXASALL-GJZGRUSLSA-N 2 2 360.458 0.666 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000415359933 245398317 /nfs/dbraw/zinc/39/83/17/245398317.db2.gz YXHXERLXZQOOKS-MRXNPFEDSA-N 2 2 373.501 0.583 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373707915 217047752 /nfs/dbraw/zinc/04/77/52/217047752.db2.gz MLLVRUCIDPXHIF-LSDHHAIUSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373707915 217047756 /nfs/dbraw/zinc/04/77/56/217047756.db2.gz MLLVRUCIDPXHIF-LSDHHAIUSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373707913 217048263 /nfs/dbraw/zinc/04/82/63/217048263.db2.gz MLLVRUCIDPXHIF-GJZGRUSLSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373707913 217048266 /nfs/dbraw/zinc/04/82/66/217048266.db2.gz MLLVRUCIDPXHIF-GJZGRUSLSA-N 2 2 353.511 0.663 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3([S@@](C)=O)CCC3)C2)CC1 ZINC000373867436 217069601 /nfs/dbraw/zinc/06/96/01/217069601.db2.gz ADZKZWWZGUFFNP-JBEBIEQOSA-N 2 2 356.536 0.755 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3([S@@](C)=O)CCC3)C2)CC1 ZINC000373867436 217069603 /nfs/dbraw/zinc/06/96/03/217069603.db2.gz ADZKZWWZGUFFNP-JBEBIEQOSA-N 2 2 356.536 0.755 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373895319 217072338 /nfs/dbraw/zinc/07/23/38/217072338.db2.gz WPCHHQNJDHVGSA-AEFFLSMTSA-N 2 2 352.523 0.772 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373895319 217072341 /nfs/dbraw/zinc/07/23/41/217072341.db2.gz WPCHHQNJDHVGSA-AEFFLSMTSA-N 2 2 352.523 0.772 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000374076415 217092654 /nfs/dbraw/zinc/09/26/54/217092654.db2.gz CSOKSAHLAWGXPE-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000374076415 217092656 /nfs/dbraw/zinc/09/26/56/217092656.db2.gz CSOKSAHLAWGXPE-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000374325712 217117762 /nfs/dbraw/zinc/11/77/62/217117762.db2.gz QMCRRSHGLLNXEV-MLHJIOFPSA-N 2 2 352.523 0.580 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000374325712 217117765 /nfs/dbraw/zinc/11/77/65/217117765.db2.gz QMCRRSHGLLNXEV-MLHJIOFPSA-N 2 2 352.523 0.580 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)CCC2 ZINC000374418199 217127721 /nfs/dbraw/zinc/12/77/21/217127721.db2.gz DSNGKZJQAAXNCQ-CRAIPNDOSA-N 2 2 365.478 0.451 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621505 217148721 /nfs/dbraw/zinc/14/87/21/217148721.db2.gz WHWXCXLRHZTVNF-LSDHHAIUSA-N 2 2 364.494 0.868 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621505 217148724 /nfs/dbraw/zinc/14/87/24/217148724.db2.gz WHWXCXLRHZTVNF-LSDHHAIUSA-N 2 2 364.494 0.868 20 0 FCADLP COCCO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617584 217148773 /nfs/dbraw/zinc/14/87/73/217148773.db2.gz HVFWNLSUQYIGGE-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP COCCO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617584 217148775 /nfs/dbraw/zinc/14/87/75/217148775.db2.gz HVFWNLSUQYIGGE-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)[C@@H](C)C1 ZINC000375200563 217230536 /nfs/dbraw/zinc/23/05/36/217230536.db2.gz MUEAMVVGZUFQJO-AWEZNQCLSA-N 2 2 363.462 0.998 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)[C@@H](C)C1 ZINC000375200563 217230539 /nfs/dbraw/zinc/23/05/39/217230539.db2.gz MUEAMVVGZUFQJO-AWEZNQCLSA-N 2 2 363.462 0.998 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1 ZINC000375249724 217239690 /nfs/dbraw/zinc/23/96/90/217239690.db2.gz PYBQLSAZLDRCHF-BHYGNILZSA-N 2 2 366.506 0.141 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340573 217253060 /nfs/dbraw/zinc/25/30/60/217253060.db2.gz FOLKXYITVLBDEU-MAUKXSAKSA-N 2 2 364.494 0.305 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340573 217253062 /nfs/dbraw/zinc/25/30/62/217253062.db2.gz FOLKXYITVLBDEU-MAUKXSAKSA-N 2 2 364.494 0.305 20 0 FCADLP CCNC(=O)C1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000375425788 217262851 /nfs/dbraw/zinc/26/28/51/217262851.db2.gz HGKSMXCZYQCCKK-UHFFFAOYSA-N 2 2 352.523 0.679 20 0 FCADLP CCNC(=O)C1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCC1 ZINC000375425788 217262855 /nfs/dbraw/zinc/26/28/55/217262855.db2.gz HGKSMXCZYQCCKK-UHFFFAOYSA-N 2 2 352.523 0.679 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(N4CCOCC4)ccn3)C2)CC1 ZINC000375534212 217280651 /nfs/dbraw/zinc/28/06/51/217280651.db2.gz NRWRADCUQIQXPC-INIZCTEOSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(N4CCOCC4)ccn3)C2)CC1 ZINC000375534212 217280654 /nfs/dbraw/zinc/28/06/54/217280654.db2.gz NRWRADCUQIQXPC-INIZCTEOSA-N 2 2 373.501 0.817 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416957477 245659765 /nfs/dbraw/zinc/65/97/65/245659765.db2.gz ZKBJJIOOFCBJCO-INIZCTEOSA-N 2 2 372.473 0.906 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412783 217395965 /nfs/dbraw/zinc/39/59/65/217395965.db2.gz STBILZWKUABRLZ-GVDBMIGSSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412783 217395966 /nfs/dbraw/zinc/39/59/66/217395966.db2.gz STBILZWKUABRLZ-GVDBMIGSSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412783 217395969 /nfs/dbraw/zinc/39/59/69/217395969.db2.gz STBILZWKUABRLZ-GVDBMIGSSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412783 217395972 /nfs/dbraw/zinc/39/59/72/217395972.db2.gz STBILZWKUABRLZ-GVDBMIGSSA-N 2 2 369.506 0.590 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000418846260 245862788 /nfs/dbraw/zinc/86/27/88/245862788.db2.gz QWOMFTMUSWZFOB-HOCLYGCPSA-N 2 2 355.442 0.932 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418981958 245933717 /nfs/dbraw/zinc/93/37/17/245933717.db2.gz BNNACCQNOZLLGX-HUUCEWRRSA-N 2 2 355.442 0.529 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@@H]1[NH3+] ZINC000419124506 246000088 /nfs/dbraw/zinc/00/00/88/246000088.db2.gz XKLOELRVPVUQEU-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419125804 246000949 /nfs/dbraw/zinc/00/09/49/246000949.db2.gz KVNJMDCZSLGWNA-INIZCTEOSA-N 2 2 357.458 0.690 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]1 ZINC000419154311 246020233 /nfs/dbraw/zinc/02/02/33/246020233.db2.gz QCTFMDKTEDPSPW-UHFFFAOYSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419159364 246023600 /nfs/dbraw/zinc/02/36/00/246023600.db2.gz XITZTBSURKFFTK-JKSUJKDBSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[C@H]1[NH3+] ZINC000419132524 246006737 /nfs/dbraw/zinc/00/67/37/246006737.db2.gz DZFQJGPJZYLXDM-DOTOQJQBSA-N 2 2 369.469 0.938 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000419224007 246065550 /nfs/dbraw/zinc/06/55/50/246065550.db2.gz NATNRPAUYDYGNP-KRWDZBQOSA-N 2 2 357.458 0.323 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000419224007 246065554 /nfs/dbraw/zinc/06/55/54/246065554.db2.gz NATNRPAUYDYGNP-KRWDZBQOSA-N 2 2 357.458 0.323 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c[nH+]2)CC1 ZINC000419204042 246051185 /nfs/dbraw/zinc/05/11/85/246051185.db2.gz IKBGZZXVXOWKKI-MRXNPFEDSA-N 2 2 359.474 0.884 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)c[nH+]2)CC1 ZINC000419206589 246052712 /nfs/dbraw/zinc/05/27/12/246052712.db2.gz NAKVPFBAHNHVRV-UHFFFAOYSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CCCC1 ZINC000419205435 246052939 /nfs/dbraw/zinc/05/29/39/246052939.db2.gz KTOOUYVJICFDDH-MRXNPFEDSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[C@H]1[NH3+] ZINC000419305239 246093700 /nfs/dbraw/zinc/09/37/00/246093700.db2.gz KWTUUEIJHOSIDO-GDBMZVCRSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[C@@H](C)[NH2+]1 ZINC000419314015 246096356 /nfs/dbraw/zinc/09/63/56/246096356.db2.gz UBYDAXZFURYBGR-HUUCEWRRSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419412653 246147867 /nfs/dbraw/zinc/14/78/67/246147867.db2.gz CRVJOEJTNBITQJ-IXDOHACOSA-N 2 2 366.506 0.204 20 0 FCADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419451105 246168797 /nfs/dbraw/zinc/16/87/97/246168797.db2.gz MQEGDHLJKUBDEK-UHFFFAOYSA-N 2 2 370.453 0.960 20 0 FCADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419451105 246168803 /nfs/dbraw/zinc/16/88/03/246168803.db2.gz MQEGDHLJKUBDEK-UHFFFAOYSA-N 2 2 370.453 0.960 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419418209 246151813 /nfs/dbraw/zinc/15/18/13/246151813.db2.gz QPLZPGOCSZGOFQ-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419418209 246151817 /nfs/dbraw/zinc/15/18/17/246151817.db2.gz QPLZPGOCSZGOFQ-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508963 246185577 /nfs/dbraw/zinc/18/55/77/246185577.db2.gz RTDFUJYTPYXWGQ-IAGOWNOFSA-N 2 2 373.501 0.134 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419677810 246242766 /nfs/dbraw/zinc/24/27/66/246242766.db2.gz CWTQILJQQXYWBT-OFQRWUPVSA-N 2 2 354.495 0.236 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000419680661 246246906 /nfs/dbraw/zinc/24/69/06/246246906.db2.gz HPRUUTJRPLLQSV-KKUMJFAQSA-N 2 2 354.495 0.106 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000419682661 246249038 /nfs/dbraw/zinc/24/90/38/246249038.db2.gz JTGJHGUDVWAOBL-HZPDHXFCSA-N 2 2 362.474 0.199 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419707084 246261794 /nfs/dbraw/zinc/26/17/94/246261794.db2.gz DWRXZZPVMDDZMR-UHFFFAOYSA-N 2 2 352.866 0.492 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419707084 246261797 /nfs/dbraw/zinc/26/17/97/246261797.db2.gz DWRXZZPVMDDZMR-UHFFFAOYSA-N 2 2 352.866 0.492 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419828651 246306998 /nfs/dbraw/zinc/30/69/98/246306998.db2.gz SGODSFVNWZNLPK-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP [NH3+]CCCNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000419832029 246310905 /nfs/dbraw/zinc/31/09/05/246310905.db2.gz IRDFIUPJFCKHQM-AWEZNQCLSA-N 2 2 361.446 0.127 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419869023 246337965 /nfs/dbraw/zinc/33/79/65/246337965.db2.gz VZEIZZLRQXJLRP-KRWDZBQOSA-N 2 2 358.486 0.755 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000419881834 246348250 /nfs/dbraw/zinc/34/82/50/246348250.db2.gz WRYAXOUSTSNNMZ-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)s1 ZINC000419886279 246349785 /nfs/dbraw/zinc/34/97/85/246349785.db2.gz CANMUDQFKROUOI-CQSZACIVSA-N 2 2 364.515 0.823 20 0 FCADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000419894949 246356980 /nfs/dbraw/zinc/35/69/80/246356980.db2.gz WQCPKNCPFNIYHR-CABCVRRESA-N 2 2 373.457 0.140 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908146 246363665 /nfs/dbraw/zinc/36/36/65/246363665.db2.gz DIDQGWZZVDPJOC-IAGOWNOFSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908146 246363671 /nfs/dbraw/zinc/36/36/71/246363671.db2.gz DIDQGWZZVDPJOC-IAGOWNOFSA-N 2 2 358.486 0.835 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419963437 246390268 /nfs/dbraw/zinc/39/02/68/246390268.db2.gz WEMIAZOBRRWNDZ-CABCVRRESA-N 2 2 362.474 0.611 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000419971813 246397686 /nfs/dbraw/zinc/39/76/86/246397686.db2.gz XKHQTRIHDYJACR-IAGOWNOFSA-N 2 2 366.506 0.333 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000419981573 246398376 /nfs/dbraw/zinc/39/83/76/246398376.db2.gz UAIQNFJBOQUCRM-NVXWUHKLSA-N 2 2 361.490 0.776 20 0 FCADLP C[C@]1(CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000420101729 246469714 /nfs/dbraw/zinc/46/97/14/246469714.db2.gz MEOPTZCFROSMLF-FQEVSTJZSA-N 2 2 358.486 0.837 20 0 FCADLP [NH3+][C@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000423359864 247011410 /nfs/dbraw/zinc/01/14/10/247011410.db2.gz LACDQRJEDBGLBB-KRWDZBQOSA-N 2 2 360.458 0.815 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000423375598 247015187 /nfs/dbraw/zinc/01/51/87/247015187.db2.gz UGSMXZNUMCBAMP-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423377003 247015448 /nfs/dbraw/zinc/01/54/48/247015448.db2.gz VLSJJINXGUDYSP-CVEARBPZSA-N 2 2 354.495 0.141 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000423381146 247016106 /nfs/dbraw/zinc/01/61/06/247016106.db2.gz HSUVYWFCCLYLSS-LUKYLMHMSA-N 2 2 373.501 0.787 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423376309 247016260 /nfs/dbraw/zinc/01/62/60/247016260.db2.gz UWBKXXSVBJVLRG-INIZCTEOSA-N 2 2 356.511 0.387 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423376542 247016380 /nfs/dbraw/zinc/01/63/80/247016380.db2.gz JMHMIYWAKCOUSY-SOLBZPMBSA-N 2 2 372.469 0.909 20 0 FCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378532487 217704947 /nfs/dbraw/zinc/70/49/47/217704947.db2.gz YENBUMYBFNKNNS-LSDHHAIUSA-N 2 2 355.479 0.629 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)c1 ZINC000423263128 246989058 /nfs/dbraw/zinc/98/90/58/246989058.db2.gz WRRZAHSSSMWKBV-HNNXBMFYSA-N 2 2 374.485 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000423308464 247000172 /nfs/dbraw/zinc/00/01/72/247000172.db2.gz OJSQXWDAVVCHAL-OAHLLOKOSA-N 2 2 355.442 0.710 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423307539 247002170 /nfs/dbraw/zinc/00/21/70/247002170.db2.gz HABFSCYONFOLPC-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423307539 247002176 /nfs/dbraw/zinc/00/21/76/247002176.db2.gz HABFSCYONFOLPC-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000423314074 247003174 /nfs/dbraw/zinc/00/31/74/247003174.db2.gz GLZHKBPCJNVHLA-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000423314074 247003178 /nfs/dbraw/zinc/00/31/78/247003178.db2.gz GLZHKBPCJNVHLA-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP COC[C@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000423319787 247004941 /nfs/dbraw/zinc/00/49/41/247004941.db2.gz CZXQMJYGLTWMRI-KHYOSLBOSA-N 2 2 362.474 0.938 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423323575 247005428 /nfs/dbraw/zinc/00/54/28/247005428.db2.gz JTBWBNSQFGOBOJ-OWCLPIDISA-N 2 2 354.495 0.141 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423323575 247005429 /nfs/dbraw/zinc/00/54/29/247005429.db2.gz JTBWBNSQFGOBOJ-OWCLPIDISA-N 2 2 354.495 0.141 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326324 247005447 /nfs/dbraw/zinc/00/54/47/247005447.db2.gz MQBJZMDXGGYWIM-FZKCQIBNSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326324 247005451 /nfs/dbraw/zinc/00/54/51/247005451.db2.gz MQBJZMDXGGYWIM-FZKCQIBNSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423338356 247007086 /nfs/dbraw/zinc/00/70/86/247007086.db2.gz YYMYDEZKUQLAJY-IRXDYDNUSA-N 2 2 373.501 0.874 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000423338348 247007379 /nfs/dbraw/zinc/00/73/79/247007379.db2.gz YWLKVHQUWWTVQH-HZPDHXFCSA-N 2 2 373.501 0.873 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423583804 247064337 /nfs/dbraw/zinc/06/43/37/247064337.db2.gz AZODRFKSXFDIDO-FUHWJXTLSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423583804 247064346 /nfs/dbraw/zinc/06/43/46/247064346.db2.gz AZODRFKSXFDIDO-FUHWJXTLSA-N 2 2 374.485 0.296 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000423428551 247025868 /nfs/dbraw/zinc/02/58/68/247025868.db2.gz JJOIWRKJOSPHHO-ZWKOTPCHSA-N 2 2 373.501 0.970 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423499410 247038082 /nfs/dbraw/zinc/03/80/82/247038082.db2.gz CLJXWGCTGUMXSI-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423499410 247038086 /nfs/dbraw/zinc/03/80/86/247038086.db2.gz CLJXWGCTGUMXSI-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423655087 247094939 /nfs/dbraw/zinc/09/49/39/247094939.db2.gz RPDNUEIOJPMUDW-HZPDHXFCSA-N 2 2 374.485 0.535 20 0 FCADLP CCCN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@H]1CC[NH2+]C1 ZINC000423663180 247102112 /nfs/dbraw/zinc/10/21/12/247102112.db2.gz OEUYNVWFOWXNFD-CVEARBPZSA-N 2 2 361.490 0.802 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000423673256 247104688 /nfs/dbraw/zinc/10/46/88/247104688.db2.gz OXHNTLSAOGWPJP-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423760009 247138490 /nfs/dbraw/zinc/13/84/90/247138490.db2.gz PRGPJIISBZVGDA-HOTGVXAUSA-N 2 2 355.479 0.346 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423766092 247138535 /nfs/dbraw/zinc/13/85/35/247138535.db2.gz XRGKLRSYWLOWOU-UHFFFAOYSA-N 2 2 355.479 0.620 20 0 FCADLP Cc1ccc([C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)[NH+]2CCOCC2)s1 ZINC000423768022 247140682 /nfs/dbraw/zinc/14/06/82/247140682.db2.gz ZNFBFHXSZVHKTH-CABCVRRESA-N 2 2 353.488 0.925 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423820588 247143530 /nfs/dbraw/zinc/14/35/30/247143530.db2.gz PVFWUISRVKCGHD-HIFRSBDPSA-N 2 2 350.488 0.822 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000423918490 247151665 /nfs/dbraw/zinc/15/16/65/247151665.db2.gz POJLXAGYRAOSGA-JYJNAYRXSA-N 2 2 353.442 0.217 20 0 FCADLP C[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000423996711 247157513 /nfs/dbraw/zinc/15/75/13/247157513.db2.gz KPXGONFSGGRGNZ-DLBZAZTESA-N 2 2 373.501 0.954 20 0 FCADLP C[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423995981 247157965 /nfs/dbraw/zinc/15/79/65/247157965.db2.gz VPFHGWPHACMOHC-RHSMWYFYSA-N 2 2 350.438 0.441 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@H]1C[NH2+]CCN1C)CC2 ZINC000423717148 247123173 /nfs/dbraw/zinc/12/31/73/247123173.db2.gz JSSKYYGFTVRUBO-MRXNPFEDSA-N 2 2 362.474 0.082 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@H]1C[NH2+]CCN1C)CC2 ZINC000423717148 247123176 /nfs/dbraw/zinc/12/31/76/247123176.db2.gz JSSKYYGFTVRUBO-MRXNPFEDSA-N 2 2 362.474 0.082 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423721294 247126039 /nfs/dbraw/zinc/12/60/39/247126039.db2.gz DYXBYQCRHALWAT-HOTGVXAUSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1C[NH3+] ZINC000423746557 247136729 /nfs/dbraw/zinc/13/67/29/247136729.db2.gz YBRAEGVPLPOSFL-GOEBONIOSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423748606 247137020 /nfs/dbraw/zinc/13/70/20/247137020.db2.gz ZRMCWTCZUFXTAX-NVXWUHKLSA-N 3 2 367.538 0.057 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423748606 247137022 /nfs/dbraw/zinc/13/70/22/247137022.db2.gz ZRMCWTCZUFXTAX-NVXWUHKLSA-N 3 2 367.538 0.057 20 0 FCADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000424192872 247176506 /nfs/dbraw/zinc/17/65/06/247176506.db2.gz TWQQNOOCPYMLTK-ZIAGYGMSSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000424192872 247176509 /nfs/dbraw/zinc/17/65/09/247176509.db2.gz TWQQNOOCPYMLTK-ZIAGYGMSSA-N 2 2 350.488 0.944 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424526108 247252301 /nfs/dbraw/zinc/25/23/01/247252301.db2.gz RIZMVJYKIJRJIH-STQMWFEESA-N 2 2 358.433 0.481 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000424526108 247252306 /nfs/dbraw/zinc/25/23/06/247252306.db2.gz RIZMVJYKIJRJIH-STQMWFEESA-N 2 2 358.433 0.481 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000424440798 247215607 /nfs/dbraw/zinc/21/56/07/247215607.db2.gz RVZWDNIMFYQZIP-KRWDZBQOSA-N 2 2 362.474 0.865 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425378293 247328991 /nfs/dbraw/zinc/32/89/91/247328991.db2.gz BXFVUGMLHGUWLZ-IXDOHACOSA-N 2 2 373.501 0.754 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425378293 247328994 /nfs/dbraw/zinc/32/89/94/247328994.db2.gz BXFVUGMLHGUWLZ-IXDOHACOSA-N 2 2 373.501 0.754 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000425451987 247341715 /nfs/dbraw/zinc/34/17/15/247341715.db2.gz MYKOORLFTDKOHP-CVEARBPZSA-N 2 2 356.511 0.848 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)n1C ZINC000425361172 247324941 /nfs/dbraw/zinc/32/49/41/247324941.db2.gz TVGXAAGRZHBFIP-SFHVURJKSA-N 2 2 356.430 0.831 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000425478022 247344723 /nfs/dbraw/zinc/34/47/23/247344723.db2.gz OPZNJILDSJLPHK-QGZVFWFLSA-N 2 2 369.554 0.622 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000425499074 247346279 /nfs/dbraw/zinc/34/62/79/247346279.db2.gz ICOPKSMLCJKWHO-QGZVFWFLSA-N 2 2 369.554 0.765 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000425499074 247346285 /nfs/dbraw/zinc/34/62/85/247346285.db2.gz ICOPKSMLCJKWHO-QGZVFWFLSA-N 2 2 369.554 0.765 20 0 FCADLP CCNC(=O)NC(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435690592 248009465 /nfs/dbraw/zinc/00/94/65/248009465.db2.gz BDUNOKJNHHSWOL-AWEZNQCLSA-N 2 2 362.478 0.693 20 0 FCADLP CCn1cc[nH+]c1CN(CC(=O)N1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698209 248012910 /nfs/dbraw/zinc/01/29/10/248012910.db2.gz VIRAWRYUKUUCBD-INIZCTEOSA-N 2 2 361.490 0.706 20 0 FCADLP CNC(=O)Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cs1 ZINC000436058970 248031063 /nfs/dbraw/zinc/03/10/63/248031063.db2.gz MFEKHDZBYZPWOZ-ZDUSSCGKSA-N 2 2 353.492 0.251 20 0 FCADLP CNC(=O)Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cs1 ZINC000436058970 248031065 /nfs/dbraw/zinc/03/10/65/248031065.db2.gz MFEKHDZBYZPWOZ-ZDUSSCGKSA-N 2 2 353.492 0.251 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438886845 248100092 /nfs/dbraw/zinc/10/00/92/248100092.db2.gz OIBUCYXJUPOAGL-HNNXBMFYSA-N 2 2 357.458 0.446 20 0 FCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288342 248118637 /nfs/dbraw/zinc/11/86/37/248118637.db2.gz UEVMYJZZYZDGRW-ZDUSSCGKSA-N 2 2 372.457 0.921 20 0 FCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288342 248118640 /nfs/dbraw/zinc/11/86/40/248118640.db2.gz UEVMYJZZYZDGRW-ZDUSSCGKSA-N 2 2 372.457 0.921 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000439549688 248133104 /nfs/dbraw/zinc/13/31/04/248133104.db2.gz NTIINDXQOQOKHX-UHFFFAOYSA-N 2 2 363.462 0.669 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441259304 248245379 /nfs/dbraw/zinc/24/53/79/248245379.db2.gz VEBUVGOUSRQYRS-BRWVUGGUSA-N 2 2 367.490 0.582 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441259304 248245382 /nfs/dbraw/zinc/24/53/82/248245382.db2.gz VEBUVGOUSRQYRS-BRWVUGGUSA-N 2 2 367.490 0.582 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763437 248296122 /nfs/dbraw/zinc/29/61/22/248296122.db2.gz IZQGQMZKWBHEQM-RDBSUJKOSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763437 248296125 /nfs/dbraw/zinc/29/61/25/248296125.db2.gz IZQGQMZKWBHEQM-RDBSUJKOSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771509 248297190 /nfs/dbraw/zinc/29/71/90/248297190.db2.gz TZAJNQGMZRHXAK-IRXDYDNUSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771509 248297192 /nfs/dbraw/zinc/29/71/92/248297192.db2.gz TZAJNQGMZRHXAK-IRXDYDNUSA-N 3 2 360.502 0.804 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444169547 248349644 /nfs/dbraw/zinc/34/96/44/248349644.db2.gz RBLOSVHHVWICFD-XLIONFOSSA-N 2 2 362.518 0.827 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1)c1ccccc1F ZINC000444179927 248349884 /nfs/dbraw/zinc/34/98/84/248349884.db2.gz GLKCTENSPUSTDE-UZLBHIALSA-N 2 2 374.460 0.699 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000444265632 248353735 /nfs/dbraw/zinc/35/37/35/248353735.db2.gz LSNAFYVAXSEWNX-GOSISDBHSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444628842 248366039 /nfs/dbraw/zinc/36/60/39/248366039.db2.gz ULIKOIWGMZKGDG-SFHVURJKSA-N 2 2 352.523 0.727 20 0 FCADLP COc1ccc2c(c1)C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)CO2 ZINC000453109380 249342643 /nfs/dbraw/zinc/34/26/43/249342643.db2.gz ALHLRLDTCDCMNB-GOSISDBHSA-N 2 2 363.502 0.978 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000453691851 249355398 /nfs/dbraw/zinc/35/53/98/249355398.db2.gz JGZSBJCDPQCMIT-GOSISDBHSA-N 2 2 374.485 0.965 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000270664003 211243463 /nfs/dbraw/zinc/24/34/63/211243463.db2.gz KPIVVPCVPHKHSN-SFHVURJKSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000270664003 211243473 /nfs/dbraw/zinc/24/34/73/211243473.db2.gz KPIVVPCVPHKHSN-SFHVURJKSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000270664003 211243476 /nfs/dbraw/zinc/24/34/76/211243476.db2.gz KPIVVPCVPHKHSN-SFHVURJKSA-N 2 2 373.501 0.772 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc2ccc(Br)cn12 ZINC000470024895 250020192 /nfs/dbraw/zinc/02/01/92/250020192.db2.gz QFEGUKDKQZUZLC-UHFFFAOYSA-N 2 2 366.263 0.960 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc2ccc(Br)cn12 ZINC000470024895 250020197 /nfs/dbraw/zinc/02/01/97/250020197.db2.gz QFEGUKDKQZUZLC-UHFFFAOYSA-N 2 2 366.263 0.960 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000471168270 250093099 /nfs/dbraw/zinc/09/30/99/250093099.db2.gz HCMNULYIDSTDLP-NSHDSACASA-N 2 2 360.418 0.727 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000471168270 250093104 /nfs/dbraw/zinc/09/31/04/250093104.db2.gz HCMNULYIDSTDLP-NSHDSACASA-N 2 2 360.418 0.727 20 0 FCADLP COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000471209295 250093446 /nfs/dbraw/zinc/09/34/46/250093446.db2.gz YTVMKHQPOVWCID-HNNXBMFYSA-N 2 2 357.520 0.956 20 0 FCADLP COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000471209295 250093448 /nfs/dbraw/zinc/09/34/48/250093448.db2.gz YTVMKHQPOVWCID-HNNXBMFYSA-N 2 2 357.520 0.956 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000471811426 250121084 /nfs/dbraw/zinc/12/10/84/250121084.db2.gz RUSKOPPZGIYCSX-HOTGVXAUSA-N 2 2 370.473 0.210 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000471811426 250121086 /nfs/dbraw/zinc/12/10/86/250121086.db2.gz RUSKOPPZGIYCSX-HOTGVXAUSA-N 2 2 370.473 0.210 20 0 FCADLP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000471811426 250121089 /nfs/dbraw/zinc/12/10/89/250121089.db2.gz RUSKOPPZGIYCSX-HOTGVXAUSA-N 2 2 370.473 0.210 20 0 FCADLP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000471811426 250121091 /nfs/dbraw/zinc/12/10/91/250121091.db2.gz RUSKOPPZGIYCSX-HOTGVXAUSA-N 2 2 370.473 0.210 20 0 FCADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC[NH+]1CCNC(=O)C1 ZINC000269965272 211127856 /nfs/dbraw/zinc/12/78/56/211127856.db2.gz ZNCHBRLVYQRFBT-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC[NH+]1CCNC(=O)C1 ZINC000269965272 211127859 /nfs/dbraw/zinc/12/78/59/211127859.db2.gz ZNCHBRLVYQRFBT-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000269965272 211127864 /nfs/dbraw/zinc/12/78/64/211127864.db2.gz ZNCHBRLVYQRFBT-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[C@@H]1C[NH+](Cc2ccccc2)CCO1)NCCC[N@H+]1CCNC(=O)C1 ZINC000269965272 211127866 /nfs/dbraw/zinc/12/78/66/211127866.db2.gz ZNCHBRLVYQRFBT-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000472978542 250190946 /nfs/dbraw/zinc/19/09/46/250190946.db2.gz NXNOMILXLRWFSX-QZTJIDSGSA-N 2 2 369.554 0.765 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651770 250244165 /nfs/dbraw/zinc/24/41/65/250244165.db2.gz XSUZUUIBXWZCQV-GJZGRUSLSA-N 2 2 361.446 0.541 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651770 250244169 /nfs/dbraw/zinc/24/41/69/250244169.db2.gz XSUZUUIBXWZCQV-GJZGRUSLSA-N 2 2 361.446 0.541 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCOCC[NH+](C)C ZINC000473718702 250247442 /nfs/dbraw/zinc/24/74/42/250247442.db2.gz ZGUGGTUJEUBBSJ-UHFFFAOYSA-N 2 2 351.451 0.926 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000473955808 250259569 /nfs/dbraw/zinc/25/95/69/250259569.db2.gz JKDVIGBHIZDSKJ-HZPDHXFCSA-N 2 2 356.511 0.630 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000269745286 211063679 /nfs/dbraw/zinc/06/36/79/211063679.db2.gz XMKQNDVVIAQHKU-CQSZACIVSA-N 2 2 372.391 0.942 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000269745286 211063681 /nfs/dbraw/zinc/06/36/81/211063681.db2.gz XMKQNDVVIAQHKU-CQSZACIVSA-N 2 2 372.391 0.942 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000481831020 250366181 /nfs/dbraw/zinc/36/61/81/250366181.db2.gz QYOGRNKFGFSHOB-PMACEKPBSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000481831020 250366186 /nfs/dbraw/zinc/36/61/86/250366186.db2.gz QYOGRNKFGFSHOB-PMACEKPBSA-N 2 2 372.513 0.874 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268783676 210864287 /nfs/dbraw/zinc/86/42/87/210864287.db2.gz VCLHJXHXKIVCCL-INIZCTEOSA-N 2 2 370.457 0.912 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+](C)C1 ZINC000411764090 532987509 /nfs/dbraw/zinc/98/75/09/532987509.db2.gz WPHJXUBOZJQDDT-OAHLLOKOSA-N 2 2 374.441 0.134 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+](C)C1 ZINC000411764090 532987510 /nfs/dbraw/zinc/98/75/10/532987510.db2.gz WPHJXUBOZJQDDT-OAHLLOKOSA-N 2 2 374.441 0.134 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+](C)C1 ZINC000411764090 532987521 /nfs/dbraw/zinc/98/75/21/532987521.db2.gz WPHJXUBOZJQDDT-OAHLLOKOSA-N 2 2 374.441 0.134 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+](C)C1 ZINC000411764090 532987523 /nfs/dbraw/zinc/98/75/23/532987523.db2.gz WPHJXUBOZJQDDT-OAHLLOKOSA-N 2 2 374.441 0.134 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000164518167 533015916 /nfs/dbraw/zinc/01/59/16/533015916.db2.gz CCWZKMFJWWXHFO-IBGZPJMESA-N 2 2 374.485 0.852 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000164518167 533015920 /nfs/dbraw/zinc/01/59/20/533015920.db2.gz CCWZKMFJWWXHFO-IBGZPJMESA-N 2 2 374.485 0.852 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074186818 208053407 /nfs/dbraw/zinc/05/34/07/208053407.db2.gz OUEXMRXRGXPFCW-HNNXBMFYSA-N 2 2 357.458 0.871 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000069246600 208032105 /nfs/dbraw/zinc/03/21/05/208032105.db2.gz BTCLFDOLPSLUMV-INIZCTEOSA-N 2 2 368.547 0.627 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000069246600 208032112 /nfs/dbraw/zinc/03/21/12/208032112.db2.gz BTCLFDOLPSLUMV-INIZCTEOSA-N 2 2 368.547 0.627 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000081237763 208099914 /nfs/dbraw/zinc/09/99/14/208099914.db2.gz DTQHQJZPVJSCLS-QGZVFWFLSA-N 2 2 360.458 0.536 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000081237763 208099918 /nfs/dbraw/zinc/09/99/18/208099918.db2.gz DTQHQJZPVJSCLS-QGZVFWFLSA-N 2 2 360.458 0.536 20 0 FCADLP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000081524125 208100721 /nfs/dbraw/zinc/10/07/21/208100721.db2.gz QXNWHBPOSXJYLE-KRWDZBQOSA-N 2 2 360.502 0.953 20 0 FCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000081524125 208100731 /nfs/dbraw/zinc/10/07/31/208100731.db2.gz QXNWHBPOSXJYLE-KRWDZBQOSA-N 2 2 360.502 0.953 20 0 FCADLP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000079252394 208088788 /nfs/dbraw/zinc/08/87/88/208088788.db2.gz QCWSAPKEIXOFPM-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000083691815 208107297 /nfs/dbraw/zinc/10/72/97/208107297.db2.gz BVLHZJYUFVZTBM-HNNXBMFYSA-N 2 2 356.511 0.630 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1=O ZINC000086247510 208113711 /nfs/dbraw/zinc/11/37/11/208113711.db2.gz XKFIZWWTMLGHQG-KRWDZBQOSA-N 2 2 374.485 0.447 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)CC1 ZINC000093133114 208155431 /nfs/dbraw/zinc/15/54/31/208155431.db2.gz PCMMCSVCPZQHHW-LJQANCHMSA-N 3 2 373.549 0.440 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)CC1 ZINC000093133114 208155436 /nfs/dbraw/zinc/15/54/36/208155436.db2.gz PCMMCSVCPZQHHW-LJQANCHMSA-N 3 2 373.549 0.440 20 0 FCADLP Cc1occc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041450 208206250 /nfs/dbraw/zinc/20/62/50/208206250.db2.gz QKNXDBKAESGKRH-UHFFFAOYSA-N 2 2 362.474 0.898 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000105150157 208192067 /nfs/dbraw/zinc/19/20/67/208192067.db2.gz KURQCUOJAKIOHJ-OAHLLOKOSA-N 2 2 356.536 0.978 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000105150157 208192073 /nfs/dbraw/zinc/19/20/73/208192073.db2.gz KURQCUOJAKIOHJ-OAHLLOKOSA-N 2 2 356.536 0.978 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000105150163 208192802 /nfs/dbraw/zinc/19/28/02/208192802.db2.gz KURQCUOJAKIOHJ-HNNXBMFYSA-N 2 2 356.536 0.978 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000105150163 208192808 /nfs/dbraw/zinc/19/28/08/208192808.db2.gz KURQCUOJAKIOHJ-HNNXBMFYSA-N 2 2 356.536 0.978 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000107368639 208241329 /nfs/dbraw/zinc/24/13/29/208241329.db2.gz SBWBDPFDDVXYLG-HNNXBMFYSA-N 2 2 363.462 0.317 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000107368639 208241334 /nfs/dbraw/zinc/24/13/34/208241334.db2.gz SBWBDPFDDVXYLG-HNNXBMFYSA-N 2 2 363.462 0.317 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCCOc3ccccc3)C2)CC1 ZINC000107371444 208244380 /nfs/dbraw/zinc/24/43/80/208244380.db2.gz KTCRJPWODJOFAM-SFHVURJKSA-N 2 2 360.502 0.893 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCCOc3ccccc3)C2)CC1 ZINC000107371444 208244386 /nfs/dbraw/zinc/24/43/86/208244386.db2.gz KTCRJPWODJOFAM-SFHVURJKSA-N 2 2 360.502 0.893 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000106529811 208226642 /nfs/dbraw/zinc/22/66/42/208226642.db2.gz RWUVPCMPWGXJLF-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000109394469 208256403 /nfs/dbraw/zinc/25/64/03/208256403.db2.gz BKJUEEOFGMXHIH-UHFFFAOYSA-N 2 2 362.478 0.735 20 0 FCADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109674642 208259942 /nfs/dbraw/zinc/25/99/42/208259942.db2.gz AMAYUCQJFKWGLU-INIZCTEOSA-N 2 2 374.489 0.501 20 0 FCADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109674642 208259946 /nfs/dbraw/zinc/25/99/46/208259946.db2.gz AMAYUCQJFKWGLU-INIZCTEOSA-N 2 2 374.489 0.501 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000110052398 208265369 /nfs/dbraw/zinc/26/53/69/208265369.db2.gz VAPYPZYBBNLGAP-OAHLLOKOSA-N 2 2 358.486 0.760 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000110052398 208265373 /nfs/dbraw/zinc/26/53/73/208265373.db2.gz VAPYPZYBBNLGAP-OAHLLOKOSA-N 2 2 358.486 0.760 20 0 FCADLP C[NH+]1CCN(CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000110613284 208267769 /nfs/dbraw/zinc/26/77/69/208267769.db2.gz DTJMRTHWBCOUED-LJQANCHMSA-N 2 2 359.518 0.339 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000111265853 208280348 /nfs/dbraw/zinc/28/03/48/208280348.db2.gz JGMWVRGTURYEEK-MRXNPFEDSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000111265853 208280355 /nfs/dbraw/zinc/28/03/55/208280355.db2.gz JGMWVRGTURYEEK-MRXNPFEDSA-N 2 2 364.515 0.850 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867653 208287033 /nfs/dbraw/zinc/28/70/33/208287033.db2.gz JEUHVLZQWGWKNV-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867653 208287039 /nfs/dbraw/zinc/28/70/39/208287039.db2.gz JEUHVLZQWGWKNV-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)cn2)CC1 ZINC000119060516 208353343 /nfs/dbraw/zinc/35/33/43/208353343.db2.gz JKXCGIFDMVQBDJ-UHFFFAOYSA-N 2 2 358.490 0.673 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCN(C(=O)C4CC4)CC3)cn2)CC1 ZINC000119060516 208353344 /nfs/dbraw/zinc/35/33/44/208353344.db2.gz JKXCGIFDMVQBDJ-UHFFFAOYSA-N 2 2 358.490 0.673 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1)[NH+]1CCOCC1 ZINC000120780648 208391546 /nfs/dbraw/zinc/39/15/46/208391546.db2.gz FOJVDCCEYOBCKR-HNNXBMFYSA-N 2 2 360.458 0.792 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000177202647 209017742 /nfs/dbraw/zinc/01/77/42/209017742.db2.gz OESKYMNYLSSFCP-UHFFFAOYSA-N 2 2 360.458 0.751 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000177202647 209017745 /nfs/dbraw/zinc/01/77/45/209017745.db2.gz OESKYMNYLSSFCP-UHFFFAOYSA-N 2 2 360.458 0.751 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000177136755 209018014 /nfs/dbraw/zinc/01/80/14/209018014.db2.gz LIHOWKCOTSFVQL-WMLDXEAASA-N 2 2 354.520 0.583 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000177568975 209027696 /nfs/dbraw/zinc/02/76/96/209027696.db2.gz JSTBGTZESUYVJO-OAHLLOKOSA-N 2 2 370.457 0.563 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000177121164 209015609 /nfs/dbraw/zinc/01/56/09/209015609.db2.gz KJGCJEKIWPFXBX-QWHCGFSZSA-N 2 2 364.412 0.586 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2C1 ZINC000178097499 209041455 /nfs/dbraw/zinc/04/14/55/209041455.db2.gz DUFZGZNVZGUDOC-OAHLLOKOSA-N 2 2 372.469 0.751 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2C1 ZINC000178097499 209041457 /nfs/dbraw/zinc/04/14/57/209041457.db2.gz DUFZGZNVZGUDOC-OAHLLOKOSA-N 2 2 372.469 0.751 20 0 FCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178784203 209062155 /nfs/dbraw/zinc/06/21/55/209062155.db2.gz JLECIOJLMISYCC-QZTJIDSGSA-N 2 2 360.527 0.893 20 0 FCADLP CC(C)(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(N)=O ZINC000178849358 209063183 /nfs/dbraw/zinc/06/31/83/209063183.db2.gz WATOKSALPQCIJV-HNNXBMFYSA-N 2 2 352.504 0.882 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178879580 209063731 /nfs/dbraw/zinc/06/37/31/209063731.db2.gz SBRXPVCCVSOWHO-QGZVFWFLSA-N 2 2 372.473 0.928 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178879580 209063733 /nfs/dbraw/zinc/06/37/33/209063733.db2.gz SBRXPVCCVSOWHO-QGZVFWFLSA-N 2 2 372.473 0.928 20 0 FCADLP COC1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000178875858 209063742 /nfs/dbraw/zinc/06/37/42/209063742.db2.gz LEKJTBNPMPUFFX-UHFFFAOYSA-N 2 2 364.465 0.833 20 0 FCADLP Cc1cc(N2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000179775597 209087111 /nfs/dbraw/zinc/08/71/11/209087111.db2.gz YGVGWOMHAYLCPM-UHFFFAOYSA-N 2 2 372.473 0.628 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499437 533491266 /nfs/dbraw/zinc/49/12/66/533491266.db2.gz NLPGVDABCRMTBT-CABCVRRESA-N 2 2 363.462 0.226 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499437 533491270 /nfs/dbraw/zinc/49/12/70/533491270.db2.gz NLPGVDABCRMTBT-CABCVRRESA-N 2 2 363.462 0.226 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000165479952 229203607 /nfs/dbraw/zinc/20/36/07/229203607.db2.gz NDMPLKGGVLKQPV-UHFFFAOYSA-N 2 2 366.412 0.477 20 0 FCADLP COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000189716230 229257039 /nfs/dbraw/zinc/25/70/39/229257039.db2.gz XTFUKOBKHFCYOT-SJORKVTESA-N 2 2 362.474 0.856 20 0 FCADLP COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000189716230 229257042 /nfs/dbraw/zinc/25/70/42/229257042.db2.gz XTFUKOBKHFCYOT-SJORKVTESA-N 2 2 362.474 0.856 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000284277903 229553669 /nfs/dbraw/zinc/55/36/69/229553669.db2.gz NEKUYAOGYCLXTG-CQSZACIVSA-N 2 2 365.478 0.001 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000284277903 229553675 /nfs/dbraw/zinc/55/36/75/229553675.db2.gz NEKUYAOGYCLXTG-CQSZACIVSA-N 2 2 365.478 0.001 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)C1 ZINC000410731505 230220198 /nfs/dbraw/zinc/22/01/98/230220198.db2.gz HCIKZDOARRUZNK-OAGGEKHMSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC000410731505 230220203 /nfs/dbraw/zinc/22/02/03/230220203.db2.gz HCIKZDOARRUZNK-OAGGEKHMSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000410732813 230224883 /nfs/dbraw/zinc/22/48/83/230224883.db2.gz SVLAHUYFGSBFDB-SFHVURJKSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000410732813 230224886 /nfs/dbraw/zinc/22/48/86/230224886.db2.gz SVLAHUYFGSBFDB-SFHVURJKSA-N 2 2 373.501 0.837 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410885866 230289584 /nfs/dbraw/zinc/28/95/84/230289584.db2.gz FEFVZFIVKTWKOV-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP O=C(C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410918092 230304856 /nfs/dbraw/zinc/30/48/56/230304856.db2.gz XSKZUZIVEJXSQK-RDJZCZTQSA-N 2 2 356.426 0.534 20 0 FCADLP COC(=O)C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000934027633 674283804 /nfs/dbraw/zinc/28/38/04/674283804.db2.gz UIZAWJDPMFNYLT-CQSZACIVSA-N 2 2 357.495 0.781 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)CC1 ZINC000287390752 488865029 /nfs/dbraw/zinc/86/50/29/488865029.db2.gz NKXAEQVVHLGYCO-RTBURBONSA-N 2 2 361.486 0.457 20 0 FCADLP C[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000299679923 488866982 /nfs/dbraw/zinc/86/69/82/488866982.db2.gz REEWSGAPKJQTJK-INIZCTEOSA-N 2 2 360.506 0.086 20 0 FCADLP CC(C)c1nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000301969987 488885934 /nfs/dbraw/zinc/88/59/34/488885934.db2.gz QYTLMEHBONWWHM-AWEZNQCLSA-N 2 2 361.494 0.980 20 0 FCADLP CC(C)c1nc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)nc(N(C)C)[nH+]1 ZINC000301969987 488885936 /nfs/dbraw/zinc/88/59/36/488885936.db2.gz QYTLMEHBONWWHM-AWEZNQCLSA-N 2 2 361.494 0.980 20 0 FCADLP CC(C)c1nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc(N(C)C)[nH+]1 ZINC000301950705 488885973 /nfs/dbraw/zinc/88/59/73/488885973.db2.gz ITXFIXFUSMZLBZ-AWEZNQCLSA-N 2 2 361.494 0.804 20 0 FCADLP CC(C)c1nc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc(N(C)C)[nH+]1 ZINC000301950705 488885976 /nfs/dbraw/zinc/88/59/76/488885976.db2.gz ITXFIXFUSMZLBZ-AWEZNQCLSA-N 2 2 361.494 0.804 20 0 FCADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)C1 ZINC000302038010 488886917 /nfs/dbraw/zinc/88/69/17/488886917.db2.gz QFLIDQAJEQPPDB-GJZGRUSLSA-N 2 2 359.474 0.807 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000363898639 488897808 /nfs/dbraw/zinc/89/78/08/488897808.db2.gz JESQEGKKTWHMMB-UHFFFAOYSA-N 2 2 358.446 0.865 20 0 FCADLP C[C@@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000364052572 488918592 /nfs/dbraw/zinc/91/85/92/488918592.db2.gz DYONELKBTXZBHN-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP C[C@@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000364052572 488918594 /nfs/dbraw/zinc/91/85/94/488918594.db2.gz DYONELKBTXZBHN-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1(C)C ZINC000328242444 488922174 /nfs/dbraw/zinc/92/21/74/488922174.db2.gz AHXIKPSOIWKCOF-GPMSIDNRSA-N 2 2 354.539 0.907 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364207861 488935285 /nfs/dbraw/zinc/93/52/85/488935285.db2.gz PDCSQHCPCUVHAL-CHWSQXEVSA-N 2 2 352.508 0.580 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364207861 488935287 /nfs/dbraw/zinc/93/52/87/488935287.db2.gz PDCSQHCPCUVHAL-CHWSQXEVSA-N 2 2 352.508 0.580 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364274722 488943068 /nfs/dbraw/zinc/94/30/68/488943068.db2.gz UVRKOEMVZMXCNP-ZWKOTPCHSA-N 2 2 351.491 0.668 20 0 FCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364274722 488943069 /nfs/dbraw/zinc/94/30/69/488943069.db2.gz UVRKOEMVZMXCNP-ZWKOTPCHSA-N 2 2 351.491 0.668 20 0 FCADLP NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000020940961 487613600 /nfs/dbraw/zinc/61/36/00/487613600.db2.gz ZIQYXISMFIKVHY-UHFFFAOYSA-N 2 2 360.458 0.655 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000047027972 488008169 /nfs/dbraw/zinc/00/81/69/488008169.db2.gz JPNZKJJEMIRTFD-MRXNPFEDSA-N 2 2 364.494 0.857 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000047027972 488008174 /nfs/dbraw/zinc/00/81/74/488008174.db2.gz JPNZKJJEMIRTFD-MRXNPFEDSA-N 2 2 364.494 0.857 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000048871517 488083259 /nfs/dbraw/zinc/08/32/59/488083259.db2.gz QQLRJNGROZFUJI-OAHLLOKOSA-N 2 2 357.462 0.918 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCNc3cnccn3)CC2)CC1 ZINC000051761687 488145105 /nfs/dbraw/zinc/14/51/05/488145105.db2.gz IKPPARNSBMEMEB-UHFFFAOYSA-N 2 2 361.494 0.746 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000052552398 488170650 /nfs/dbraw/zinc/17/06/50/488170650.db2.gz OLTBFWYJCIUFKS-INIZCTEOSA-N 2 2 361.494 0.382 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000052552398 488170656 /nfs/dbraw/zinc/17/06/56/488170656.db2.gz OLTBFWYJCIUFKS-INIZCTEOSA-N 2 2 361.494 0.382 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000052646583 488175270 /nfs/dbraw/zinc/17/52/70/488175270.db2.gz XBOJRFNLHOEGDY-UHFFFAOYSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000329133756 488972683 /nfs/dbraw/zinc/97/26/83/488972683.db2.gz ZDOYAZNTMZQRHW-SYMSYNOKSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000329133756 488972686 /nfs/dbraw/zinc/97/26/86/488972686.db2.gz ZDOYAZNTMZQRHW-SYMSYNOKSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000329133756 488972691 /nfs/dbraw/zinc/97/26/91/488972691.db2.gz ZDOYAZNTMZQRHW-SYMSYNOKSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000062586426 488301229 /nfs/dbraw/zinc/30/12/29/488301229.db2.gz UJZOJWMNMGHVIP-HNNXBMFYSA-N 2 2 362.474 0.914 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3cscn3)CC2)CC1 ZINC000065953166 488323575 /nfs/dbraw/zinc/32/35/75/488323575.db2.gz ILJZUYBBKODHAV-HNNXBMFYSA-N 2 2 351.520 0.813 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066915763 488340372 /nfs/dbraw/zinc/34/03/72/488340372.db2.gz VWDVAQOKGHSVRK-DAYGRLMNSA-N 2 2 368.522 0.447 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066915763 488340375 /nfs/dbraw/zinc/34/03/75/488340375.db2.gz VWDVAQOKGHSVRK-DAYGRLMNSA-N 2 2 368.522 0.447 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000069411093 488372489 /nfs/dbraw/zinc/37/24/89/488372489.db2.gz XUQJKWFXVOUDAC-UHFFFAOYSA-N 2 2 350.467 0.515 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000069425983 488372511 /nfs/dbraw/zinc/37/25/11/488372511.db2.gz KTEZFGHWGNDWHS-UHFFFAOYSA-N 2 2 373.501 0.854 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719320 488382609 /nfs/dbraw/zinc/38/26/09/488382609.db2.gz XJBSWLDCDYQLFH-BRWVUGGUSA-N 2 2 350.507 0.907 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719320 488382610 /nfs/dbraw/zinc/38/26/10/488382610.db2.gz XJBSWLDCDYQLFH-BRWVUGGUSA-N 2 2 350.507 0.907 20 0 FCADLP NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802971 488382719 /nfs/dbraw/zinc/38/27/19/488382719.db2.gz AGJLECHXVUXEFR-SFHVURJKSA-N 2 2 374.485 0.475 20 0 FCADLP NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802971 488382720 /nfs/dbraw/zinc/38/27/20/488382720.db2.gz AGJLECHXVUXEFR-SFHVURJKSA-N 2 2 374.485 0.475 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1=O ZINC000072846691 488383276 /nfs/dbraw/zinc/38/32/76/488383276.db2.gz GRLCNPIPJWTJRP-GOSISDBHSA-N 2 2 369.469 0.958 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000073717341 488386143 /nfs/dbraw/zinc/38/61/43/488386143.db2.gz BELXGWFTAIDKDR-INIZCTEOSA-N 2 2 365.522 0.666 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000073717341 488386144 /nfs/dbraw/zinc/38/61/44/488386144.db2.gz BELXGWFTAIDKDR-INIZCTEOSA-N 2 2 365.522 0.666 20 0 FCADLP C[N@H+](CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000073821073 488386375 /nfs/dbraw/zinc/38/63/75/488386375.db2.gz LBGWVMKGGLLINA-IBGZPJMESA-N 2 2 364.490 0.501 20 0 FCADLP C[N@@H+](CCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000073821073 488386376 /nfs/dbraw/zinc/38/63/76/488386376.db2.gz LBGWVMKGGLLINA-IBGZPJMESA-N 2 2 364.490 0.501 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1CCCCCC1 ZINC000074224217 488389120 /nfs/dbraw/zinc/38/91/20/488389120.db2.gz DCLSSMBPYAMRCO-QGZVFWFLSA-N 2 2 360.506 0.979 20 0 FCADLP CCN(CC)S(=O)(=O)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000074676376 488393302 /nfs/dbraw/zinc/39/33/02/488393302.db2.gz QUYYEJUOVQYJOC-UHFFFAOYSA-N 2 2 362.540 0.142 20 0 FCADLP CCN(CC)S(=O)(=O)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000074676376 488393304 /nfs/dbraw/zinc/39/33/04/488393304.db2.gz QUYYEJUOVQYJOC-UHFFFAOYSA-N 2 2 362.540 0.142 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819496 491195009 /nfs/dbraw/zinc/19/50/09/491195009.db2.gz DTYXBCBTHWTXAD-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819496 491195012 /nfs/dbraw/zinc/19/50/12/491195012.db2.gz DTYXBCBTHWTXAD-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000569822254 491195106 /nfs/dbraw/zinc/19/51/06/491195106.db2.gz BGKUAQIAOZEPDW-BZUAXINKSA-N 2 2 352.479 0.004 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335861 491195387 /nfs/dbraw/zinc/19/53/87/491195387.db2.gz QUHCEVUWGOOEMR-WCVJEAGWSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335861 491195391 /nfs/dbraw/zinc/19/53/91/491195391.db2.gz QUHCEVUWGOOEMR-WCVJEAGWSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335861 491195396 /nfs/dbraw/zinc/19/53/96/491195396.db2.gz QUHCEVUWGOOEMR-WCVJEAGWSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335861 491195399 /nfs/dbraw/zinc/19/53/99/491195399.db2.gz QUHCEVUWGOOEMR-WCVJEAGWSA-N 2 2 354.495 0.153 20 0 FCADLP CN(C)C(=O)N1CC[NH+](CCCC[NH+]2CCN(C(=O)N(C)C)CC2)CC1 ZINC000077264460 488409683 /nfs/dbraw/zinc/40/96/83/488409683.db2.gz SFUWXMNCNJJNME-UHFFFAOYSA-N 2 2 368.526 0.365 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000193139491 488426460 /nfs/dbraw/zinc/42/64/60/488426460.db2.gz LBYLZCFRDKOHSA-QGZVFWFLSA-N 2 2 355.527 0.232 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000079061181 488426699 /nfs/dbraw/zinc/42/66/99/488426699.db2.gz KTIVPHXFKQJCMG-HNNXBMFYSA-N 2 2 366.487 0.239 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000079061181 488426702 /nfs/dbraw/zinc/42/67/02/488426702.db2.gz KTIVPHXFKQJCMG-HNNXBMFYSA-N 2 2 366.487 0.239 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000079236003 488428647 /nfs/dbraw/zinc/42/86/47/488428647.db2.gz NBENWVOQJMEBRP-UHFFFAOYSA-N 2 2 374.489 0.073 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000080002824 488433037 /nfs/dbraw/zinc/43/30/37/488433037.db2.gz QZGFCXBCTBUAQB-UHFFFAOYSA-N 2 2 364.494 0.871 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554354512 491197938 /nfs/dbraw/zinc/19/79/38/491197938.db2.gz YRZVWUGONMGHSF-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554354512 491197940 /nfs/dbraw/zinc/19/79/40/491197940.db2.gz YRZVWUGONMGHSF-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000195227470 488436820 /nfs/dbraw/zinc/43/68/20/488436820.db2.gz MTABSVKYAQNOKL-SJLPKXTDSA-N 2 2 373.501 0.967 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000195227470 488436822 /nfs/dbraw/zinc/43/68/22/488436822.db2.gz MTABSVKYAQNOKL-SJLPKXTDSA-N 2 2 373.501 0.967 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000081680895 488443449 /nfs/dbraw/zinc/44/34/49/488443449.db2.gz GQULZHNPBOMOEF-KRWDZBQOSA-N 2 2 362.449 0.810 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000081680895 488443451 /nfs/dbraw/zinc/44/34/51/488443451.db2.gz GQULZHNPBOMOEF-KRWDZBQOSA-N 2 2 362.449 0.810 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081680895 488443452 /nfs/dbraw/zinc/44/34/52/488443452.db2.gz GQULZHNPBOMOEF-KRWDZBQOSA-N 2 2 362.449 0.810 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081680895 488443453 /nfs/dbraw/zinc/44/34/53/488443453.db2.gz GQULZHNPBOMOEF-KRWDZBQOSA-N 2 2 362.449 0.810 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083721670 488448713 /nfs/dbraw/zinc/44/87/13/488448713.db2.gz DWJLDCBQFHVPCG-ROUUACIJSA-N 2 2 370.538 0.976 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083721670 488448714 /nfs/dbraw/zinc/44/87/14/488448714.db2.gz DWJLDCBQFHVPCG-ROUUACIJSA-N 2 2 370.538 0.976 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1C ZINC000083738694 488449267 /nfs/dbraw/zinc/44/92/67/488449267.db2.gz ZTOYLLWWXXSXDC-UHFFFAOYSA-N 3 2 365.526 0.654 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1C ZINC000083738694 488449269 /nfs/dbraw/zinc/44/92/69/488449269.db2.gz ZTOYLLWWXXSXDC-UHFFFAOYSA-N 3 2 365.526 0.654 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000087135902 488454020 /nfs/dbraw/zinc/45/40/20/488454020.db2.gz RGTBIYYNTNBFQK-HZPDHXFCSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000087135902 488454021 /nfs/dbraw/zinc/45/40/21/488454021.db2.gz RGTBIYYNTNBFQK-HZPDHXFCSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237498535 488455299 /nfs/dbraw/zinc/45/52/99/488455299.db2.gz FYVALEXYBOGDOL-FUHWJXTLSA-N 2 2 374.485 0.120 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CN1CC[NH2+]CC1=O ZINC000237683459 488456816 /nfs/dbraw/zinc/45/68/16/488456816.db2.gz SXYMCDBPBJWATG-HOTGVXAUSA-N 2 2 358.486 0.691 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000089939644 488458601 /nfs/dbraw/zinc/45/86/01/488458601.db2.gz CUYPZNGRCGPKKK-MRXNPFEDSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000089939644 488458603 /nfs/dbraw/zinc/45/86/03/488458603.db2.gz CUYPZNGRCGPKKK-MRXNPFEDSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000089939644 488458605 /nfs/dbraw/zinc/45/86/05/488458605.db2.gz CUYPZNGRCGPKKK-MRXNPFEDSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000089939644 488458607 /nfs/dbraw/zinc/45/86/07/488458607.db2.gz CUYPZNGRCGPKKK-MRXNPFEDSA-N 2 2 370.563 0.826 20 0 FCADLP C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C1CC1 ZINC000091481570 488464065 /nfs/dbraw/zinc/46/40/65/488464065.db2.gz QAVSFNKWKQWCKJ-INIZCTEOSA-N 2 2 367.519 0.770 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246151947 488470097 /nfs/dbraw/zinc/47/00/97/488470097.db2.gz PJIZVMMQJJPZIL-DLBZAZTESA-N 2 2 370.538 0.831 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246151947 488470098 /nfs/dbraw/zinc/47/00/98/488470098.db2.gz PJIZVMMQJJPZIL-DLBZAZTESA-N 2 2 370.538 0.831 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246357678 488472550 /nfs/dbraw/zinc/47/25/50/488472550.db2.gz DSNJEMCQNRVFER-LSDHHAIUSA-N 2 2 353.511 0.711 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246357678 488472551 /nfs/dbraw/zinc/47/25/51/488472551.db2.gz DSNJEMCQNRVFER-LSDHHAIUSA-N 2 2 353.511 0.711 20 0 FCADLP CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000246757010 488475394 /nfs/dbraw/zinc/47/53/94/488475394.db2.gz SRGHJYSMAIIFQL-SJORKVTESA-N 2 2 360.458 0.851 20 0 FCADLP CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000246757010 488475395 /nfs/dbraw/zinc/47/53/95/488475395.db2.gz SRGHJYSMAIIFQL-SJORKVTESA-N 2 2 360.458 0.851 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)cn2)CC1 ZINC000093278397 488479265 /nfs/dbraw/zinc/47/92/65/488479265.db2.gz AWPSOBWCXQMKRV-QGZVFWFLSA-N 2 2 358.490 0.815 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)cn2)CC1 ZINC000093278397 488479266 /nfs/dbraw/zinc/47/92/66/488479266.db2.gz AWPSOBWCXQMKRV-QGZVFWFLSA-N 2 2 358.490 0.815 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)cc(OC)c1 ZINC000269243067 488481974 /nfs/dbraw/zinc/48/19/74/488481974.db2.gz BYWWSAANUWYFPC-SFHVURJKSA-N 2 2 363.458 0.727 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000269271621 488485232 /nfs/dbraw/zinc/48/52/32/488485232.db2.gz SOLNHYLMWFKALC-MRXNPFEDSA-N 2 2 368.503 0.222 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000247871588 488490656 /nfs/dbraw/zinc/49/06/56/488490656.db2.gz XQMWRWDUVGTBQX-RBUKOAKNSA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000247871588 488490657 /nfs/dbraw/zinc/49/06/57/488490657.db2.gz XQMWRWDUVGTBQX-RBUKOAKNSA-N 2 2 360.502 0.940 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000248567520 488498270 /nfs/dbraw/zinc/49/82/70/488498270.db2.gz BZPXZVBMKVPFPL-CVEARBPZSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000248567520 488498272 /nfs/dbraw/zinc/49/82/72/488498272.db2.gz BZPXZVBMKVPFPL-CVEARBPZSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248584464 488499053 /nfs/dbraw/zinc/49/90/53/488499053.db2.gz FYITVMSQIPTXBW-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248584464 488499054 /nfs/dbraw/zinc/49/90/54/488499054.db2.gz FYITVMSQIPTXBW-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248584464 488499056 /nfs/dbraw/zinc/49/90/56/488499056.db2.gz FYITVMSQIPTXBW-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248584464 488499058 /nfs/dbraw/zinc/49/90/58/488499058.db2.gz FYITVMSQIPTXBW-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H](C)CO ZINC000249007468 488505100 /nfs/dbraw/zinc/50/51/00/488505100.db2.gz ZQWZZKXMYQHGRC-HUUCEWRRSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H](C)CO ZINC000249007468 488505102 /nfs/dbraw/zinc/50/51/02/488505102.db2.gz ZQWZZKXMYQHGRC-HUUCEWRRSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000249081515 488505789 /nfs/dbraw/zinc/50/57/89/488505789.db2.gz AEVRXRVVWKRYSI-ARFHVFGLSA-N 2 2 359.474 0.752 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C(C)C ZINC000104801398 488506112 /nfs/dbraw/zinc/50/61/12/488506112.db2.gz BNGYWOCEGRGVTH-OAHLLOKOSA-N 2 2 353.511 0.711 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C(C)C ZINC000104801398 488506114 /nfs/dbraw/zinc/50/61/14/488506114.db2.gz BNGYWOCEGRGVTH-OAHLLOKOSA-N 2 2 353.511 0.711 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104800940 488506122 /nfs/dbraw/zinc/50/61/22/488506122.db2.gz YFJZXFAVVZXXSL-INIZCTEOSA-N 2 2 374.489 0.501 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104800940 488506124 /nfs/dbraw/zinc/50/61/24/488506124.db2.gz YFJZXFAVVZXXSL-INIZCTEOSA-N 2 2 374.489 0.501 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000106583494 488514648 /nfs/dbraw/zinc/51/46/48/488514648.db2.gz DTPIGZXCPZHNLC-QGZVFWFLSA-N 3 2 368.570 0.290 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000106583494 488514652 /nfs/dbraw/zinc/51/46/52/488514652.db2.gz DTPIGZXCPZHNLC-QGZVFWFLSA-N 3 2 368.570 0.290 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435808 488516179 /nfs/dbraw/zinc/51/61/79/488516179.db2.gz BQRVYJUABDFAJA-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435808 488516182 /nfs/dbraw/zinc/51/61/82/488516182.db2.gz BQRVYJUABDFAJA-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435808 488516184 /nfs/dbraw/zinc/51/61/84/488516184.db2.gz BQRVYJUABDFAJA-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000251435808 488516185 /nfs/dbraw/zinc/51/61/85/488516185.db2.gz BQRVYJUABDFAJA-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000111510040 488529517 /nfs/dbraw/zinc/52/95/17/488529517.db2.gz HEIWCGDOKYNHKF-QGZVFWFLSA-N 2 2 365.522 0.810 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000111510040 488529519 /nfs/dbraw/zinc/52/95/19/488529519.db2.gz HEIWCGDOKYNHKF-QGZVFWFLSA-N 2 2 365.522 0.810 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000271599687 488529817 /nfs/dbraw/zinc/52/98/17/488529817.db2.gz HRRIFJBBQOIGAF-CQSZACIVSA-N 2 2 363.462 0.926 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000271599687 488529819 /nfs/dbraw/zinc/52/98/19/488529819.db2.gz HRRIFJBBQOIGAF-CQSZACIVSA-N 2 2 363.462 0.926 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000111812428 488531207 /nfs/dbraw/zinc/53/12/07/488531207.db2.gz MBBJXARASHWELR-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000111812428 488531210 /nfs/dbraw/zinc/53/12/10/488531210.db2.gz MBBJXARASHWELR-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261762915 488534679 /nfs/dbraw/zinc/53/46/79/488534679.db2.gz GAIZFUYVUQGDRY-CHWSQXEVSA-N 2 2 364.412 0.587 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261762915 488534681 /nfs/dbraw/zinc/53/46/81/488534681.db2.gz GAIZFUYVUQGDRY-CHWSQXEVSA-N 2 2 364.412 0.587 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261891105 488540012 /nfs/dbraw/zinc/54/00/12/488540012.db2.gz QPRNYLXACQCLOQ-NVXWUHKLSA-N 2 2 369.473 0.743 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261891105 488540014 /nfs/dbraw/zinc/54/00/14/488540014.db2.gz QPRNYLXACQCLOQ-NVXWUHKLSA-N 2 2 369.473 0.743 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000261986118 488544400 /nfs/dbraw/zinc/54/44/00/488544400.db2.gz JXZHCIIXVZMUES-ZBFHGGJFSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000262058914 488548844 /nfs/dbraw/zinc/54/88/44/488548844.db2.gz IYSXLCDJCIWZHH-JKSUJKDBSA-N 2 2 361.421 0.864 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569942804 491205439 /nfs/dbraw/zinc/20/54/39/491205439.db2.gz XTEAMUYMDFFGNJ-ROUUACIJSA-N 2 2 374.485 0.473 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569942804 491205443 /nfs/dbraw/zinc/20/54/43/491205443.db2.gz XTEAMUYMDFFGNJ-ROUUACIJSA-N 2 2 374.485 0.473 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000262444554 488570473 /nfs/dbraw/zinc/57/04/73/488570473.db2.gz VGJXSTMRDAXVLM-HNNXBMFYSA-N 2 2 371.478 0.711 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000262449034 488570908 /nfs/dbraw/zinc/57/09/08/488570908.db2.gz VSHBZESXQSOOGW-IBGZPJMESA-N 2 2 370.501 0.744 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000122592440 488579690 /nfs/dbraw/zinc/57/96/90/488579690.db2.gz ATQULQGXHBTZLI-HZPDHXFCSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000122592440 488579692 /nfs/dbraw/zinc/57/96/92/488579692.db2.gz ATQULQGXHBTZLI-HZPDHXFCSA-N 2 2 351.495 0.419 20 0 FCADLP CSC[C@H](O)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562999359 491207170 /nfs/dbraw/zinc/20/71/70/491207170.db2.gz KZTWWHCEIPDQBG-LSDHHAIUSA-N 2 2 367.519 0.596 20 0 FCADLP CC(C)C(=O)NCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262619388 488582034 /nfs/dbraw/zinc/58/20/34/488582034.db2.gz HOGMXBRRPLSXSC-KRWDZBQOSA-N 2 2 357.458 0.690 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000262639878 488583753 /nfs/dbraw/zinc/58/37/53/488583753.db2.gz HABJSGDRDACNMH-OAHLLOKOSA-N 2 2 364.471 0.350 20 0 FCADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000262709623 488587486 /nfs/dbraw/zinc/58/74/86/488587486.db2.gz OZYDJMDXCOMHDH-RDJZCZTQSA-N 2 2 367.515 0.651 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1(C)C ZINC000262754535 488590515 /nfs/dbraw/zinc/59/05/15/488590515.db2.gz ARPIGYDPIWVJCW-JLSDUUJJSA-N 2 2 371.547 0.843 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000124405785 488592505 /nfs/dbraw/zinc/59/25/05/488592505.db2.gz ZTZSUXYJVKRXIH-CQSZACIVSA-N 2 2 357.520 0.486 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3-n3cnnn3)CC2)CC1 ZINC000124379988 488592523 /nfs/dbraw/zinc/59/25/23/488592523.db2.gz LLMIUFBOGQTBEQ-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP [NH3+]C1CCC(OCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000563064555 491211847 /nfs/dbraw/zinc/21/18/47/491211847.db2.gz REWCIXKBDDOQBF-UHFFFAOYSA-N 2 2 362.478 0.001 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000263698378 488619531 /nfs/dbraw/zinc/61/95/31/488619531.db2.gz ODRPOMFOWMOLKE-HNNXBMFYSA-N 2 2 362.478 0.735 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000263698378 488619533 /nfs/dbraw/zinc/61/95/33/488619533.db2.gz ODRPOMFOWMOLKE-HNNXBMFYSA-N 2 2 362.478 0.735 20 0 FCADLP NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[NH+]2CCN1CC2 ZINC000272969081 488621299 /nfs/dbraw/zinc/62/12/99/488621299.db2.gz HAHJAZFBBMUUSD-LSDHHAIUSA-N 2 2 356.392 0.691 20 0 FCADLP O=CN1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000273040277 488627324 /nfs/dbraw/zinc/62/73/24/488627324.db2.gz ZJYDDRSMGHSQDQ-UHFFFAOYSA-N 2 2 360.458 0.621 20 0 FCADLP O=CN1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000273040277 488627326 /nfs/dbraw/zinc/62/73/26/488627326.db2.gz ZJYDDRSMGHSQDQ-UHFFFAOYSA-N 2 2 360.458 0.621 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129721279 488632819 /nfs/dbraw/zinc/63/28/19/488632819.db2.gz RUYSKLCWOVMSOO-NWDGAFQWSA-N 2 2 360.418 0.101 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129721279 488632820 /nfs/dbraw/zinc/63/28/20/488632820.db2.gz RUYSKLCWOVMSOO-NWDGAFQWSA-N 2 2 360.418 0.101 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129688514 488633135 /nfs/dbraw/zinc/63/31/35/488633135.db2.gz IJNPAFVPTYWSAD-CHWSQXEVSA-N 2 2 374.445 0.491 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129688514 488633138 /nfs/dbraw/zinc/63/31/38/488633138.db2.gz IJNPAFVPTYWSAD-CHWSQXEVSA-N 2 2 374.445 0.491 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1CCSCC1 ZINC000131271728 488644465 /nfs/dbraw/zinc/64/44/65/488644465.db2.gz SPVIVUYUFSAJIF-HNNXBMFYSA-N 2 2 364.519 0.152 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000131354974 488645261 /nfs/dbraw/zinc/64/52/61/488645261.db2.gz FIVPMRGKUGQFKG-OALUTQOASA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000131354974 488645263 /nfs/dbraw/zinc/64/52/63/488645263.db2.gz FIVPMRGKUGQFKG-OALUTQOASA-N 2 2 361.486 0.803 20 0 FCADLP COC(=O)c1coc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000273353551 488645892 /nfs/dbraw/zinc/64/58/92/488645892.db2.gz BKKKCPAUIWVEFN-CQSZACIVSA-N 2 2 351.403 0.089 20 0 FCADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000570013454 491210001 /nfs/dbraw/zinc/21/00/01/491210001.db2.gz SKCWTNIMOJYXRD-UHFFFAOYSA-N 2 2 357.414 0.934 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522554 488660519 /nfs/dbraw/zinc/66/05/19/488660519.db2.gz FTTSYFWFEBYLBE-QUCCMNQESA-N 2 2 374.529 0.887 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522554 488660521 /nfs/dbraw/zinc/66/05/21/488660521.db2.gz FTTSYFWFEBYLBE-QUCCMNQESA-N 2 2 374.529 0.887 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522554 488660522 /nfs/dbraw/zinc/66/05/22/488660522.db2.gz FTTSYFWFEBYLBE-QUCCMNQESA-N 2 2 374.529 0.887 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522554 488660524 /nfs/dbraw/zinc/66/05/24/488660524.db2.gz FTTSYFWFEBYLBE-QUCCMNQESA-N 2 2 374.529 0.887 20 0 FCADLP COCC[N@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000264282900 488660556 /nfs/dbraw/zinc/66/05/56/488660556.db2.gz PFKYXSZMKVTUEZ-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COCC[N@@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000264282900 488660558 /nfs/dbraw/zinc/66/05/58/488660558.db2.gz PFKYXSZMKVTUEZ-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COCC[NH+](CCO)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000264282900 488660559 /nfs/dbraw/zinc/66/05/59/488660559.db2.gz PFKYXSZMKVTUEZ-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COCC[NH+](CCO)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000264282900 488660562 /nfs/dbraw/zinc/66/05/62/488660562.db2.gz PFKYXSZMKVTUEZ-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000134631258 488667811 /nfs/dbraw/zinc/66/78/11/488667811.db2.gz YKVJRPAFTIOCIJ-DLBZAZTESA-N 2 2 366.506 0.746 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000134631258 488667812 /nfs/dbraw/zinc/66/78/12/488667812.db2.gz YKVJRPAFTIOCIJ-DLBZAZTESA-N 2 2 366.506 0.746 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000273798092 488671587 /nfs/dbraw/zinc/67/15/87/488671587.db2.gz ZNJQKADZZZFEOI-CQSZACIVSA-N 2 2 350.442 0.290 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264436686 488673708 /nfs/dbraw/zinc/67/37/08/488673708.db2.gz PNVMJSJFLQZKJU-XLIONFOSSA-N 2 2 374.529 0.937 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135752063 488675377 /nfs/dbraw/zinc/67/53/77/488675377.db2.gz XLWJVUKHMATCCX-HOTGVXAUSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135752063 488675380 /nfs/dbraw/zinc/67/53/80/488675380.db2.gz XLWJVUKHMATCCX-HOTGVXAUSA-N 2 2 372.535 0.039 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000570107498 491217181 /nfs/dbraw/zinc/21/71/81/491217181.db2.gz MIDMFNHYJOZTJN-ZWKOTPCHSA-N 2 2 356.470 0.730 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000570107498 491217184 /nfs/dbraw/zinc/21/71/84/491217184.db2.gz MIDMFNHYJOZTJN-ZWKOTPCHSA-N 2 2 356.470 0.730 20 0 FCADLP C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274205302 488690415 /nfs/dbraw/zinc/69/04/15/488690415.db2.gz JPXBJDUQVKQJFQ-UHFFFAOYSA-N 2 2 359.492 0.695 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000274368725 488701871 /nfs/dbraw/zinc/70/18/71/488701871.db2.gz ABFVFUAVTJZLOX-UHFFFAOYSA-N 2 2 351.451 0.662 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000274368725 488701873 /nfs/dbraw/zinc/70/18/73/488701873.db2.gz ABFVFUAVTJZLOX-UHFFFAOYSA-N 2 2 351.451 0.662 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000264713663 488702242 /nfs/dbraw/zinc/70/22/42/488702242.db2.gz JTPQXFLOWHSJCZ-MRXNPFEDSA-N 2 2 357.462 0.621 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000264713663 488702245 /nfs/dbraw/zinc/70/22/45/488702245.db2.gz JTPQXFLOWHSJCZ-MRXNPFEDSA-N 2 2 357.462 0.621 20 0 FCADLP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000570118700 491218079 /nfs/dbraw/zinc/21/80/79/491218079.db2.gz CZLZGPHVGGYAHB-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000151762835 488709614 /nfs/dbraw/zinc/70/96/14/488709614.db2.gz QWLZBKUCEASGTC-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000151762835 488709616 /nfs/dbraw/zinc/70/96/16/488709616.db2.gz QWLZBKUCEASGTC-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000152455847 488718173 /nfs/dbraw/zinc/71/81/73/488718173.db2.gz QMZJCNAWASSCBX-INIZCTEOSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)N1CCCS1(=O)=O ZINC000152493834 488718939 /nfs/dbraw/zinc/71/89/39/488718939.db2.gz UEYZPLYHFDISIO-MRXNPFEDSA-N 2 2 374.551 0.189 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000274619830 488723508 /nfs/dbraw/zinc/72/35/08/488723508.db2.gz FJOCLYPOFCFWRA-UHFFFAOYSA-N 2 2 351.451 0.032 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000274619830 488723510 /nfs/dbraw/zinc/72/35/10/488723510.db2.gz FJOCLYPOFCFWRA-UHFFFAOYSA-N 2 2 351.451 0.032 20 0 FCADLP Cc1noc(COCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000154269624 488740557 /nfs/dbraw/zinc/74/05/57/488740557.db2.gz XUSYICSGZNIRIW-XYPWUTKMSA-N 2 2 363.462 0.664 20 0 FCADLP Cc1noc(COCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000154269624 488740559 /nfs/dbraw/zinc/74/05/59/488740559.db2.gz XUSYICSGZNIRIW-XYPWUTKMSA-N 2 2 363.462 0.664 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000154765198 488747064 /nfs/dbraw/zinc/74/70/64/488747064.db2.gz AQNSVVYZZNXQGU-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000154765198 488747066 /nfs/dbraw/zinc/74/70/66/488747066.db2.gz AQNSVVYZZNXQGU-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000154765400 488747199 /nfs/dbraw/zinc/74/71/99/488747199.db2.gz AQNSVVYZZNXQGU-CVEARBPZSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000154765400 488747201 /nfs/dbraw/zinc/74/72/01/488747201.db2.gz AQNSVVYZZNXQGU-CVEARBPZSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266967151 488748399 /nfs/dbraw/zinc/74/83/99/488748399.db2.gz YMYMUQPDJCSMDN-CYBMUJFWSA-N 2 2 356.430 0.668 20 0 FCADLP COc1ccccc1C(=O)NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000155191420 488752664 /nfs/dbraw/zinc/75/26/64/488752664.db2.gz LPFDPCOIIXWICU-UHFFFAOYSA-N 2 2 362.474 0.567 20 0 FCADLP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCOCC1 ZINC000155828858 488759262 /nfs/dbraw/zinc/75/92/62/488759262.db2.gz PHWZEJBTMCIAJZ-BRWVUGGUSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000155902309 488760224 /nfs/dbraw/zinc/76/02/24/488760224.db2.gz KELJHUCCXMMBTD-MSOLQXFVSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000155902309 488760227 /nfs/dbraw/zinc/76/02/27/488760227.db2.gz KELJHUCCXMMBTD-MSOLQXFVSA-N 2 2 369.554 0.526 20 0 FCADLP Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000275178641 488769408 /nfs/dbraw/zinc/76/94/08/488769408.db2.gz MPDIIUBJVLTLKV-MRXNPFEDSA-N 2 2 363.487 0.449 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000267377387 488782082 /nfs/dbraw/zinc/78/20/82/488782082.db2.gz UFQHAWBLJHSSCI-UHFFFAOYSA-N 2 2 363.462 0.698 20 0 FCADLP C[N@H+](CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)Cc1ccccc1 ZINC000267538574 488795506 /nfs/dbraw/zinc/79/55/06/488795506.db2.gz ZUJKTSCCJYEDOK-UHFFFAOYSA-N 2 2 361.490 0.710 20 0 FCADLP C[N@@H+](CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)Cc1ccccc1 ZINC000267538574 488795508 /nfs/dbraw/zinc/79/55/08/488795508.db2.gz ZUJKTSCCJYEDOK-UHFFFAOYSA-N 2 2 361.490 0.710 20 0 FCADLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000162333926 488802086 /nfs/dbraw/zinc/80/20/86/488802086.db2.gz XKMIINUVRPDNBC-ZDUSSCGKSA-N 2 2 374.894 0.062 20 0 FCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000162333926 488802088 /nfs/dbraw/zinc/80/20/88/488802088.db2.gz XKMIINUVRPDNBC-ZDUSSCGKSA-N 2 2 374.894 0.062 20 0 FCADLP CCOc1ccccc1[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])NC(C)=O ZINC000162366649 488802142 /nfs/dbraw/zinc/80/21/42/488802142.db2.gz QPONSJASAJRDJC-RDJZCZTQSA-N 2 2 362.474 0.754 20 0 FCADLP CCOc1ccccc1[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])NC(C)=O ZINC000162366649 488802143 /nfs/dbraw/zinc/80/21/43/488802143.db2.gz QPONSJASAJRDJC-RDJZCZTQSA-N 2 2 362.474 0.754 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)[C@@H](C[NH3+])C1 ZINC000162574648 488803270 /nfs/dbraw/zinc/80/32/70/488803270.db2.gz WCVUIWLPWQGHIA-LBPRGKRZSA-N 2 2 363.443 0.632 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)[C@@H](C[NH3+])C1 ZINC000162574648 488803272 /nfs/dbraw/zinc/80/32/72/488803272.db2.gz WCVUIWLPWQGHIA-LBPRGKRZSA-N 2 2 363.443 0.632 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000163462253 488807384 /nfs/dbraw/zinc/80/73/84/488807384.db2.gz FUIRRBSDRFDXAE-ROUUACIJSA-N 2 2 368.522 0.709 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000163612547 488808491 /nfs/dbraw/zinc/80/84/91/488808491.db2.gz YVPYRWIJZUXCFR-OAHLLOKOSA-N 2 2 360.462 0.170 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000165677798 488811129 /nfs/dbraw/zinc/81/11/29/488811129.db2.gz SXDBDCDBLJALSP-UHFFFAOYSA-N 2 2 370.519 0.595 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2)CC1 ZINC000166134871 488811549 /nfs/dbraw/zinc/81/15/49/488811549.db2.gz DIKJYHZVSVGOOP-MRXNPFEDSA-N 2 2 370.450 0.263 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000166186077 488811577 /nfs/dbraw/zinc/81/15/77/488811577.db2.gz HFASCUIDKAQLMX-INIZCTEOSA-N 2 2 360.458 0.687 20 0 FCADLP [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000168288511 488812341 /nfs/dbraw/zinc/81/23/41/488812341.db2.gz BHELIRIAXSRRKZ-ORZNMBHWSA-N 2 2 373.497 0.944 20 0 FCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000168176886 488812543 /nfs/dbraw/zinc/81/25/43/488812543.db2.gz VFBHICKNKIOECH-LSDHHAIUSA-N 2 2 353.488 0.958 20 0 FCADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000168951064 488812770 /nfs/dbraw/zinc/81/27/70/488812770.db2.gz MXYCJHDAKRBYID-QGZVFWFLSA-N 2 2 373.505 0.703 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000170921041 488818165 /nfs/dbraw/zinc/81/81/65/488818165.db2.gz ITQXVAYJDHKIDF-ROUUACIJSA-N 2 2 362.474 0.690 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000170921041 488818166 /nfs/dbraw/zinc/81/81/66/488818166.db2.gz ITQXVAYJDHKIDF-ROUUACIJSA-N 2 2 362.474 0.690 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171078788 488819213 /nfs/dbraw/zinc/81/92/13/488819213.db2.gz XCCJMCJUDNMYAF-CQSZACIVSA-N 2 2 374.493 0.925 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171078788 488819214 /nfs/dbraw/zinc/81/92/14/488819214.db2.gz XCCJMCJUDNMYAF-CQSZACIVSA-N 2 2 374.493 0.925 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171204446 488821124 /nfs/dbraw/zinc/82/11/24/488821124.db2.gz SENSPXJMNATLNA-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171204446 488821126 /nfs/dbraw/zinc/82/11/26/488821126.db2.gz SENSPXJMNATLNA-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H](C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000171243340 488821479 /nfs/dbraw/zinc/82/14/79/488821479.db2.gz TXRGUZRSDMMHCS-MJGOQNOKSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000171298216 488821863 /nfs/dbraw/zinc/82/18/63/488821863.db2.gz BLIJKECXNZLXHD-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574041 488824081 /nfs/dbraw/zinc/82/40/81/488824081.db2.gz XGDQFBRSEKVCEY-CABCVRRESA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574041 488824082 /nfs/dbraw/zinc/82/40/82/488824082.db2.gz XGDQFBRSEKVCEY-CABCVRRESA-N 2 2 364.515 0.978 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000570188943 491223279 /nfs/dbraw/zinc/22/32/79/491223279.db2.gz OHCWFRPYHVBZKS-UHFFFAOYSA-N 2 2 373.501 0.041 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171657153 488825277 /nfs/dbraw/zinc/82/52/77/488825277.db2.gz GDOLUCWZBMTQLV-LBPRGKRZSA-N 2 2 353.492 0.860 20 0 FCADLP CCn1cc[nH+]c1CN(CC(=O)NCCCOC)[C@@H]1CC12CC[NH2+]CC2 ZINC000563155804 491223283 /nfs/dbraw/zinc/22/32/83/491223283.db2.gz LFCZDIQWWPJXLJ-MRXNPFEDSA-N 2 2 363.506 1.000 20 0 FCADLP COCC[NH+](CCOC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000267874230 488826849 /nfs/dbraw/zinc/82/68/49/488826849.db2.gz NBRQEYAAIVFHOS-UHFFFAOYSA-N 2 2 355.504 0.987 20 0 FCADLP Cn1cncc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000171967424 488829249 /nfs/dbraw/zinc/82/92/49/488829249.db2.gz JLSBOVQBIHIAOV-HNNXBMFYSA-N 2 2 357.462 0.805 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000267969594 488831429 /nfs/dbraw/zinc/83/14/29/488831429.db2.gz UCIXZKLDGBYZDP-OAHLLOKOSA-N 2 2 362.478 0.530 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000172323948 488833070 /nfs/dbraw/zinc/83/30/70/488833070.db2.gz AHDGCCWMYRWRIB-HKUYNNGSSA-N 2 2 374.485 0.339 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000173163802 488841233 /nfs/dbraw/zinc/84/12/33/488841233.db2.gz LFSJZMQICMAILG-QGZVFWFLSA-N 2 2 361.490 0.119 20 0 FCADLP C[C@@H](CNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C[NH+]1CCOCC1 ZINC000174204185 488847809 /nfs/dbraw/zinc/84/78/09/488847809.db2.gz FDBLGPDXDYZERS-KRWDZBQOSA-N 2 2 361.490 0.288 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000570200311 491224361 /nfs/dbraw/zinc/22/43/61/491224361.db2.gz YOLUOPOYSDEWIT-YJBOKZPZSA-N 2 2 367.515 0.936 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174548827 488849606 /nfs/dbraw/zinc/84/96/06/488849606.db2.gz ZQPRXEBXMQAORJ-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174548827 488849607 /nfs/dbraw/zinc/84/96/07/488849607.db2.gz ZQPRXEBXMQAORJ-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cn21 ZINC000174822088 488851657 /nfs/dbraw/zinc/85/16/57/488851657.db2.gz SVVZCHAXWZWGRC-SFHVURJKSA-N 2 2 361.446 0.525 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000570200308 491224609 /nfs/dbraw/zinc/22/46/09/491224609.db2.gz YOLUOPOYSDEWIT-MAUKXSAKSA-N 2 2 367.515 0.936 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000175300611 488853735 /nfs/dbraw/zinc/85/37/35/488853735.db2.gz YHGGUBHYWHHXCV-UHFFFAOYSA-N 2 2 358.450 0.810 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000175341029 488853839 /nfs/dbraw/zinc/85/38/39/488853839.db2.gz PMXFVRZFDKQINL-UHFFFAOYSA-N 2 2 363.510 0.630 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000175341029 488853840 /nfs/dbraw/zinc/85/38/40/488853840.db2.gz PMXFVRZFDKQINL-UHFFFAOYSA-N 2 2 363.510 0.630 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000175466196 488854236 /nfs/dbraw/zinc/85/42/36/488854236.db2.gz HAYXITIGSFXJHU-KRWDZBQOSA-N 2 2 353.467 0.354 20 0 FCADLP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000175737775 488855283 /nfs/dbraw/zinc/85/52/83/488855283.db2.gz VFGKBLQDMKFMBK-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000175737775 488855284 /nfs/dbraw/zinc/85/52/84/488855284.db2.gz VFGKBLQDMKFMBK-CVEARBPZSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000175803737 488855702 /nfs/dbraw/zinc/85/57/02/488855702.db2.gz IIJYQSDCJVEBRU-BRWVUGGUSA-N 2 2 354.495 0.317 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000175780561 488855750 /nfs/dbraw/zinc/85/57/50/488855750.db2.gz DNAOWWGHFJAOLR-QGZVFWFLSA-N 2 2 355.527 0.234 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000175780561 488855751 /nfs/dbraw/zinc/85/57/51/488855751.db2.gz DNAOWWGHFJAOLR-QGZVFWFLSA-N 2 2 355.527 0.234 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176601375 488858613 /nfs/dbraw/zinc/85/86/13/488858613.db2.gz MKTXAONWSBNYFQ-PVAVHDDUSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000177138914 488859219 /nfs/dbraw/zinc/85/92/19/488859219.db2.gz KZCOBQPSKCZZGI-HZPDHXFCSA-N 2 2 364.490 0.304 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179281514 488860944 /nfs/dbraw/zinc/86/09/44/488860944.db2.gz RWOOYEZIYUEZJB-OAHLLOKOSA-N 2 2 354.495 0.997 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179280330 488861052 /nfs/dbraw/zinc/86/10/52/488861052.db2.gz VMHSGAGRTBUQLK-UHFFFAOYSA-N 3 2 355.527 0.376 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000364751882 488996575 /nfs/dbraw/zinc/99/65/75/488996575.db2.gz VQYAWQGSWIEBSI-KRWDZBQOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000364751882 488996579 /nfs/dbraw/zinc/99/65/79/488996579.db2.gz VQYAWQGSWIEBSI-KRWDZBQOSA-N 2 2 359.474 0.955 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000364783070 489001770 /nfs/dbraw/zinc/00/17/70/489001770.db2.gz BKNASNLDPLOTNE-UXLLHSPISA-N 2 2 354.495 0.600 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000364783070 489001772 /nfs/dbraw/zinc/00/17/72/489001772.db2.gz BKNASNLDPLOTNE-UXLLHSPISA-N 2 2 354.495 0.600 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)nn1 ZINC000563202904 491227260 /nfs/dbraw/zinc/22/72/60/491227260.db2.gz LAVSDEHNLJGDIQ-UHFFFAOYSA-N 2 2 358.446 0.681 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)cc[nH+]1 ZINC000563203827 491227350 /nfs/dbraw/zinc/22/73/50/491227350.db2.gz IRZDPBUUPGZEMX-AWEZNQCLSA-N 2 2 355.446 0.650 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563215677 491227898 /nfs/dbraw/zinc/22/78/98/491227898.db2.gz NCDODHYEJTYDPX-SNRMKQJTSA-N 2 2 360.502 0.202 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899824 489015520 /nfs/dbraw/zinc/01/55/20/489015520.db2.gz YUQFZKOJNVILFB-HZPDHXFCSA-N 2 2 368.503 0.158 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899824 489015523 /nfs/dbraw/zinc/01/55/23/489015523.db2.gz YUQFZKOJNVILFB-HZPDHXFCSA-N 2 2 368.503 0.158 20 0 FCADLP COCCOCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364940998 489021372 /nfs/dbraw/zinc/02/13/72/489021372.db2.gz NSWDWJMTABHDRI-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP COCCOCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364940998 489021373 /nfs/dbraw/zinc/02/13/73/489021373.db2.gz NSWDWJMTABHDRI-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364969986 489024495 /nfs/dbraw/zinc/02/44/95/489024495.db2.gz TXHOTOVEZYCFDP-QGZVFWFLSA-N 2 2 367.538 0.959 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364969986 489024497 /nfs/dbraw/zinc/02/44/97/489024497.db2.gz TXHOTOVEZYCFDP-QGZVFWFLSA-N 2 2 367.538 0.959 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000289045140 489038144 /nfs/dbraw/zinc/03/81/44/489038144.db2.gz NJUHJRLBYAIWOE-RDTXWAMCSA-N 2 2 372.469 0.892 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000289045140 489038147 /nfs/dbraw/zinc/03/81/47/489038147.db2.gz NJUHJRLBYAIWOE-RDTXWAMCSA-N 2 2 372.469 0.892 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000280884343 489038431 /nfs/dbraw/zinc/03/84/31/489038431.db2.gz PLDWHLDWESKWCR-OXQOHEQNSA-N 2 2 371.485 0.789 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151696 489043766 /nfs/dbraw/zinc/04/37/66/489043766.db2.gz MRNKDDKBGZNWDB-FUHWJXTLSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151696 489043767 /nfs/dbraw/zinc/04/37/67/489043767.db2.gz MRNKDDKBGZNWDB-FUHWJXTLSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000329874678 489044081 /nfs/dbraw/zinc/04/40/81/489044081.db2.gz FWYAVDPXKUULPB-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000329874678 489044084 /nfs/dbraw/zinc/04/40/84/489044084.db2.gz FWYAVDPXKUULPB-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C(=O)N2CC[NH+](C)C[C@@H]2C)ccn1 ZINC000329874678 489044086 /nfs/dbraw/zinc/04/40/86/489044086.db2.gz FWYAVDPXKUULPB-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C(=O)N2CC[NH+](C)C[C@@H]2C)ccn1 ZINC000329874678 489044090 /nfs/dbraw/zinc/04/40/90/489044090.db2.gz FWYAVDPXKUULPB-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000289265246 489054146 /nfs/dbraw/zinc/05/41/46/489054146.db2.gz WMZVCPZWOGFUSK-FUHWJXTLSA-N 2 2 363.506 0.843 20 0 FCADLP CO[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000329979711 489057245 /nfs/dbraw/zinc/05/72/45/489057245.db2.gz KCSQKOFOJHNUIH-GOSISDBHSA-N 2 2 366.506 0.108 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000365362187 489067393 /nfs/dbraw/zinc/06/73/93/489067393.db2.gz NXYGCZAPVNVJOR-ZWKOTPCHSA-N 2 2 363.458 0.391 20 0 FCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)[S@@]1=O ZINC000330104881 489069560 /nfs/dbraw/zinc/06/95/60/489069560.db2.gz HXEGXMLHVNPIDT-YEZXQBTPSA-N 2 2 364.515 0.962 20 0 FCADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)[S@@]1=O ZINC000330104881 489069564 /nfs/dbraw/zinc/06/95/64/489069564.db2.gz HXEGXMLHVNPIDT-YEZXQBTPSA-N 2 2 364.515 0.962 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394181 489071342 /nfs/dbraw/zinc/07/13/42/489071342.db2.gz QZNVMKUMYYEOCJ-IAGOWNOFSA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394181 489071346 /nfs/dbraw/zinc/07/13/46/489071346.db2.gz QZNVMKUMYYEOCJ-IAGOWNOFSA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000289497253 489071881 /nfs/dbraw/zinc/07/18/81/489071881.db2.gz YVKFCWXVTBVBFH-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570295005 491231724 /nfs/dbraw/zinc/23/17/24/491231724.db2.gz XFTRAGDASOKHBF-ZYHUDNBSSA-N 2 2 361.368 0.413 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570295005 491231726 /nfs/dbraw/zinc/23/17/26/491231726.db2.gz XFTRAGDASOKHBF-ZYHUDNBSSA-N 2 2 361.368 0.413 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570295003 491231782 /nfs/dbraw/zinc/23/17/82/491231782.db2.gz XFTRAGDASOKHBF-PWSUYJOCSA-N 2 2 361.368 0.413 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570295003 491231783 /nfs/dbraw/zinc/23/17/83/491231783.db2.gz XFTRAGDASOKHBF-PWSUYJOCSA-N 2 2 361.368 0.413 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000289608425 489081379 /nfs/dbraw/zinc/08/13/79/489081379.db2.gz XAXURLKCLQSSIE-UHFFFAOYSA-N 2 2 357.458 0.799 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000365678645 489099334 /nfs/dbraw/zinc/09/93/34/489099334.db2.gz QJEBWEBYWHRPAC-GOSISDBHSA-N 2 2 354.539 0.972 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000365678645 489099336 /nfs/dbraw/zinc/09/93/36/489099336.db2.gz QJEBWEBYWHRPAC-GOSISDBHSA-N 2 2 354.539 0.972 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000365678645 489099339 /nfs/dbraw/zinc/09/93/39/489099339.db2.gz QJEBWEBYWHRPAC-GOSISDBHSA-N 2 2 354.539 0.972 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000365678645 489099342 /nfs/dbraw/zinc/09/93/42/489099342.db2.gz QJEBWEBYWHRPAC-GOSISDBHSA-N 2 2 354.539 0.972 20 0 FCADLP CN(CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CC[NH+](C)C ZINC000365678645 489099345 /nfs/dbraw/zinc/09/93/45/489099345.db2.gz QJEBWEBYWHRPAC-GOSISDBHSA-N 2 2 354.539 0.972 20 0 FCADLP CN(CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1)CC[NH+](C)C ZINC000365678645 489099347 /nfs/dbraw/zinc/09/93/47/489099347.db2.gz QJEBWEBYWHRPAC-GOSISDBHSA-N 2 2 354.539 0.972 20 0 FCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000563267930 491234334 /nfs/dbraw/zinc/23/43/34/491234334.db2.gz DSBCZGVWKOHEIW-TZIWHRDSSA-N 2 2 374.529 0.766 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290471313 489143011 /nfs/dbraw/zinc/14/30/11/489143011.db2.gz LTFSLKZYMMWOOK-RDJZCZTQSA-N 2 2 373.501 0.965 20 0 FCADLP COc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000290612208 489153221 /nfs/dbraw/zinc/15/32/21/489153221.db2.gz HYZLLJVOLUNMOI-HOCLYGCPSA-N 2 2 363.458 0.985 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164881 489153680 /nfs/dbraw/zinc/15/36/80/489153680.db2.gz XCHIKDUZUCNKEH-AEFFLSMTSA-N 2 2 367.538 0.422 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164881 489153683 /nfs/dbraw/zinc/15/36/83/489153683.db2.gz XCHIKDUZUCNKEH-AEFFLSMTSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164881 489153687 /nfs/dbraw/zinc/15/36/87/489153687.db2.gz XCHIKDUZUCNKEH-AEFFLSMTSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164881 489153688 /nfs/dbraw/zinc/15/36/88/489153688.db2.gz XCHIKDUZUCNKEH-AEFFLSMTSA-N 2 2 367.538 0.422 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366267552 489164489 /nfs/dbraw/zinc/16/44/89/489164489.db2.gz PVMHVHPDLADAOC-DLBZAZTESA-N 2 2 354.495 0.651 20 0 FCADLP C[C@@H]1OCC[C@@]12CN(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308389 489169277 /nfs/dbraw/zinc/16/92/77/489169277.db2.gz HLTWTGRFNZARMR-FRQCXROJSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1OCC[C@@]12CN(C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308389 489169279 /nfs/dbraw/zinc/16/92/79/489169279.db2.gz HLTWTGRFNZARMR-FRQCXROJSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1OCC[C@]12CN(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308386 489169612 /nfs/dbraw/zinc/16/96/12/489169612.db2.gz HLTWTGRFNZARMR-BXWFABGCSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1OCC[C@]12CN(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308386 489169615 /nfs/dbraw/zinc/16/96/15/489169615.db2.gz HLTWTGRFNZARMR-BXWFABGCSA-N 2 2 366.506 0.744 20 0 FCADLP O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000366422543 489180147 /nfs/dbraw/zinc/18/01/47/489180147.db2.gz FIJNJBZDJFWGQY-FVQHAEBGSA-N 2 2 351.491 0.308 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000366422543 489180149 /nfs/dbraw/zinc/18/01/49/489180149.db2.gz FIJNJBZDJFWGQY-FVQHAEBGSA-N 2 2 351.491 0.308 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282813502 489192034 /nfs/dbraw/zinc/19/20/34/489192034.db2.gz RBEPPKUURDZOPF-KRWDZBQOSA-N 2 2 374.489 0.249 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282813502 489192037 /nfs/dbraw/zinc/19/20/37/489192037.db2.gz RBEPPKUURDZOPF-KRWDZBQOSA-N 2 2 374.489 0.249 20 0 FCADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366553468 489193701 /nfs/dbraw/zinc/19/37/01/489193701.db2.gz GZTSVJVBRGGVDR-MAUKXSAKSA-N 2 2 368.522 0.584 20 0 FCADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366553468 489193703 /nfs/dbraw/zinc/19/37/03/489193703.db2.gz GZTSVJVBRGGVDR-MAUKXSAKSA-N 2 2 368.522 0.584 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@@H]1CC[NH2+]C1 ZINC000570399241 491238365 /nfs/dbraw/zinc/23/83/65/491238365.db2.gz CHTIGSXRZGLFPY-GOSISDBHSA-N 2 2 358.486 0.559 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1N1CCOCC1 ZINC000563357466 491239398 /nfs/dbraw/zinc/23/93/98/491239398.db2.gz SZTNLSYLFAVQFE-GOSISDBHSA-N 2 2 351.491 0.894 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1N1CCOCC1 ZINC000563357466 491239399 /nfs/dbraw/zinc/23/93/99/491239399.db2.gz SZTNLSYLFAVQFE-GOSISDBHSA-N 2 2 351.491 0.894 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000563357466 491239402 /nfs/dbraw/zinc/23/94/02/491239402.db2.gz SZTNLSYLFAVQFE-GOSISDBHSA-N 2 2 351.491 0.894 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000563357466 491239405 /nfs/dbraw/zinc/23/94/05/491239405.db2.gz SZTNLSYLFAVQFE-GOSISDBHSA-N 2 2 351.491 0.894 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000563365556 491239844 /nfs/dbraw/zinc/23/98/44/491239844.db2.gz ULELSNYHMFLCSI-DODZYUBVSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000563365556 491239847 /nfs/dbraw/zinc/23/98/47/491239847.db2.gz ULELSNYHMFLCSI-DODZYUBVSA-N 2 2 355.523 0.642 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000283121547 489217741 /nfs/dbraw/zinc/21/77/41/489217741.db2.gz QRSRFZXQLPTSBB-KRWDZBQOSA-N 2 2 361.421 0.974 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000283121547 489217743 /nfs/dbraw/zinc/21/77/43/489217743.db2.gz QRSRFZXQLPTSBB-KRWDZBQOSA-N 2 2 361.421 0.974 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1C ZINC000332563628 489220611 /nfs/dbraw/zinc/22/06/11/489220611.db2.gz WDZIPXMAUAUIGO-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1C ZINC000332563628 489220614 /nfs/dbraw/zinc/22/06/14/489220614.db2.gz WDZIPXMAUAUIGO-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000297700861 489226146 /nfs/dbraw/zinc/22/61/46/489226146.db2.gz FWQNYHWQOJYDQB-QZWWFDLISA-N 2 2 359.474 0.845 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000297700861 489226148 /nfs/dbraw/zinc/22/61/48/489226148.db2.gz FWQNYHWQOJYDQB-QZWWFDLISA-N 2 2 359.474 0.845 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000283225787 489229732 /nfs/dbraw/zinc/22/97/32/489229732.db2.gz KEYQAVYFTQLDFA-UHFFFAOYSA-N 2 2 355.442 0.564 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000283225787 489229734 /nfs/dbraw/zinc/22/97/34/489229734.db2.gz KEYQAVYFTQLDFA-UHFFFAOYSA-N 2 2 355.442 0.564 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000297734579 489232048 /nfs/dbraw/zinc/23/20/48/489232048.db2.gz HLNHUVYMDDLUDF-HZPDHXFCSA-N 2 2 363.462 0.083 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283271433 489235940 /nfs/dbraw/zinc/23/59/40/489235940.db2.gz AUVIIYBXHAOWKW-GDBMZVCRSA-N 2 2 357.458 0.982 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)CC2)CC1 ZINC000332865784 489240739 /nfs/dbraw/zinc/24/07/39/489240739.db2.gz KGKYMHACUCMZCX-BMGDILEWSA-N 2 2 350.507 0.957 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)CC2)CC1 ZINC000332865787 489241017 /nfs/dbraw/zinc/24/10/17/489241017.db2.gz KGKYMHACUCMZCX-JCGIZDLHSA-N 2 2 350.507 0.957 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1=CC[N@H+](C)CC1 ZINC000283303755 489242332 /nfs/dbraw/zinc/24/23/32/489242332.db2.gz ACMULCOHRGFRNB-CQSZACIVSA-N 2 2 355.442 0.760 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000283303755 489242336 /nfs/dbraw/zinc/24/23/36/489242336.db2.gz ACMULCOHRGFRNB-CQSZACIVSA-N 2 2 355.442 0.760 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478801 489242850 /nfs/dbraw/zinc/24/28/50/489242850.db2.gz NGTGPDQBQQROAB-WBVHZDCISA-N 2 2 372.535 0.214 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000369478801 489242852 /nfs/dbraw/zinc/24/28/52/489242852.db2.gz NGTGPDQBQQROAB-WBVHZDCISA-N 2 2 372.535 0.214 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332947181 489249400 /nfs/dbraw/zinc/24/94/00/489249400.db2.gz VILNHBWNOSQZEO-FZKCQIBNSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332947181 489249402 /nfs/dbraw/zinc/24/94/02/489249402.db2.gz VILNHBWNOSQZEO-FZKCQIBNSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332947181 489249405 /nfs/dbraw/zinc/24/94/05/489249405.db2.gz VILNHBWNOSQZEO-FZKCQIBNSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C[C@H](C)O1 ZINC000332947181 489249408 /nfs/dbraw/zinc/24/94/08/489249408.db2.gz VILNHBWNOSQZEO-FZKCQIBNSA-N 2 2 354.495 0.599 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297846563 489250434 /nfs/dbraw/zinc/25/04/34/489250434.db2.gz MSJOTZWCVRQJME-UHFFFAOYSA-N 2 2 361.490 0.921 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)NCC[N@@H+]3CCOCC3(C)C)n2)CC1 ZINC000369659355 489260483 /nfs/dbraw/zinc/26/04/83/489260483.db2.gz YZIBSAVFRLNAHX-UHFFFAOYSA-N 2 2 364.494 1.382 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)NCC[N@H+]3CCOCC3(C)C)n2)CC1 ZINC000369659355 489260486 /nfs/dbraw/zinc/26/04/86/489260486.db2.gz YZIBSAVFRLNAHX-UHFFFAOYSA-N 2 2 364.494 1.382 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000333456553 489261422 /nfs/dbraw/zinc/26/14/22/489261422.db2.gz OPWQBUKHFKLQIX-INIZCTEOSA-N 2 2 360.462 0.693 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000334009782 489266374 /nfs/dbraw/zinc/26/63/74/489266374.db2.gz VJQLTYWYMHZLAB-MHORFTMASA-N 2 2 366.506 0.527 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000334009782 489266376 /nfs/dbraw/zinc/26/63/76/489266376.db2.gz VJQLTYWYMHZLAB-MHORFTMASA-N 2 2 366.506 0.527 20 0 FCADLP Cc1cnn(C)c1S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000570470043 491243286 /nfs/dbraw/zinc/24/32/86/491243286.db2.gz MIQISDLKDMXURM-UHFFFAOYSA-N 2 2 350.448 0.676 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000297982343 489273039 /nfs/dbraw/zinc/27/30/39/489273039.db2.gz YFRIPCQECREPSC-UHFFFAOYSA-N 2 2 351.451 0.860 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283568235 489276475 /nfs/dbraw/zinc/27/64/75/489276475.db2.gz UESGMCVCPDTBFS-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283568235 489276479 /nfs/dbraw/zinc/27/64/79/489276479.db2.gz UESGMCVCPDTBFS-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283643495 489284877 /nfs/dbraw/zinc/28/48/77/489284877.db2.gz SJWNDWNUBCBIDB-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283643495 489284878 /nfs/dbraw/zinc/28/48/78/489284878.db2.gz SJWNDWNUBCBIDB-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283689262 489291157 /nfs/dbraw/zinc/29/11/57/489291157.db2.gz WXODNEORHOYWLK-QGZVFWFLSA-N 2 2 358.486 0.855 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c[nH+]1 ZINC000283860036 489298072 /nfs/dbraw/zinc/29/80/72/489298072.db2.gz KPUAMDKHJHZUBP-CQSZACIVSA-N 2 2 358.446 0.945 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000298173827 489300134 /nfs/dbraw/zinc/30/01/34/489300134.db2.gz UJAUXHHFZSUWST-KRWDZBQOSA-N 2 2 373.501 0.841 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000298173827 489300136 /nfs/dbraw/zinc/30/01/36/489300136.db2.gz UJAUXHHFZSUWST-KRWDZBQOSA-N 2 2 373.501 0.841 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000298204386 489303623 /nfs/dbraw/zinc/30/36/23/489303623.db2.gz XUWFFIMGCJMEFD-UHFFFAOYSA-N 2 2 365.478 0.221 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccccc1F ZINC000284251218 489306230 /nfs/dbraw/zinc/30/62/30/489306230.db2.gz IBBRGLXFSYPZAR-MRXNPFEDSA-N 2 2 373.432 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000284251218 489306233 /nfs/dbraw/zinc/30/62/33/489306233.db2.gz IBBRGLXFSYPZAR-MRXNPFEDSA-N 2 2 373.432 0.975 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184904 489325168 /nfs/dbraw/zinc/32/51/68/489325168.db2.gz OFUQRUZUWCMSLR-LSDHHAIUSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184904 489325170 /nfs/dbraw/zinc/32/51/70/489325170.db2.gz OFUQRUZUWCMSLR-LSDHHAIUSA-N 2 2 365.522 0.854 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000285855116 489327264 /nfs/dbraw/zinc/32/72/64/489327264.db2.gz KBPSDCKKVISKOX-OAHLLOKOSA-N 2 2 370.457 0.608 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000285869772 489328723 /nfs/dbraw/zinc/32/87/23/489328723.db2.gz KUYKBBNNJIXXHI-UHFFFAOYSA-N 2 2 369.469 0.961 20 0 FCADLP C[N@@H+]1CC[C@H](c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000350155087 489334604 /nfs/dbraw/zinc/33/46/04/489334604.db2.gz KLAUAHDFBZBBKQ-AWEZNQCLSA-N 2 2 356.430 0.938 20 0 FCADLP C[N@H+]1CC[C@H](c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000350155087 489334607 /nfs/dbraw/zinc/33/46/07/489334607.db2.gz KLAUAHDFBZBBKQ-AWEZNQCLSA-N 2 2 356.430 0.938 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC1 ZINC000370294174 489340278 /nfs/dbraw/zinc/34/02/78/489340278.db2.gz MFSBGLHNHSAETK-GJZGRUSLSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)N1CCCC1 ZINC000370294174 489340280 /nfs/dbraw/zinc/34/02/80/489340280.db2.gz MFSBGLHNHSAETK-GJZGRUSLSA-N 2 2 351.495 0.465 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298630934 489346538 /nfs/dbraw/zinc/34/65/38/489346538.db2.gz UODRPGCPUREMNK-SFHVURJKSA-N 2 2 373.501 0.669 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298630934 489346541 /nfs/dbraw/zinc/34/65/41/489346541.db2.gz UODRPGCPUREMNK-SFHVURJKSA-N 2 2 373.501 0.669 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000286072419 489352879 /nfs/dbraw/zinc/35/28/79/489352879.db2.gz VHUJRJWOUZEDED-MRXNPFEDSA-N 2 2 359.474 0.625 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000298723121 489356989 /nfs/dbraw/zinc/35/69/89/489356989.db2.gz PLSORNVMCFSJLR-UHFFFAOYSA-N 2 2 362.430 0.450 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)CO ZINC000370455813 489362628 /nfs/dbraw/zinc/36/26/28/489362628.db2.gz UTTUFJOLFRKVLI-DLBZAZTESA-N 2 2 371.522 0.201 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)CO ZINC000370455813 489362630 /nfs/dbraw/zinc/36/26/30/489362630.db2.gz UTTUFJOLFRKVLI-DLBZAZTESA-N 2 2 371.522 0.201 20 0 FCADLP O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000563462251 491250055 /nfs/dbraw/zinc/25/00/55/491250055.db2.gz UXFLNTBOQACKKT-UHFFFAOYSA-N 2 2 372.429 0.515 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370557622 489374442 /nfs/dbraw/zinc/37/44/42/489374442.db2.gz LGQVPPJEXHIQFN-BRWVUGGUSA-N 2 2 354.495 0.650 20 0 FCADLP CS(=O)(=O)N[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286389228 489386405 /nfs/dbraw/zinc/38/64/05/489386405.db2.gz KSUGJCFYFNZESL-QGZVFWFLSA-N 2 2 366.531 0.822 20 0 FCADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286389228 489386408 /nfs/dbraw/zinc/38/64/08/489386408.db2.gz KSUGJCFYFNZESL-QGZVFWFLSA-N 2 2 366.531 0.822 20 0 FCADLP CN(C)S(=O)(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000286401206 489387599 /nfs/dbraw/zinc/38/75/99/489387599.db2.gz LHEWZNSMYZPAJH-UHFFFAOYSA-N 2 2 354.520 0.912 20 0 FCADLP CN(C)S(=O)(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000286401206 489387603 /nfs/dbraw/zinc/38/76/03/489387603.db2.gz LHEWZNSMYZPAJH-UHFFFAOYSA-N 2 2 354.520 0.912 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362705212 489393030 /nfs/dbraw/zinc/39/30/30/489393030.db2.gz WSSGHUXWWIZXGZ-KBAYOESNSA-N 2 2 360.506 0.483 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362705212 489393034 /nfs/dbraw/zinc/39/30/34/489393034.db2.gz WSSGHUXWWIZXGZ-KBAYOESNSA-N 2 2 360.506 0.483 20 0 FCADLP COCC[C@]1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000370773737 489400068 /nfs/dbraw/zinc/40/00/68/489400068.db2.gz PEXXBKVBRKTPPX-QFBILLFUSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1 ZINC000286528243 489400986 /nfs/dbraw/zinc/40/09/86/489400986.db2.gz CEHKGLKGJOWZPL-UHFFFAOYSA-N 2 2 357.414 0.810 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000286528043 489401101 /nfs/dbraw/zinc/40/11/01/489401101.db2.gz CCURQUUYWRYPCL-UHFFFAOYSA-N 2 2 361.421 0.766 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363006505 489410681 /nfs/dbraw/zinc/41/06/81/489410681.db2.gz LDPVZHFBRYZSGJ-WBVHZDCISA-N 2 2 372.535 0.214 20 0 FCADLP CCC(=O)N1CC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856098 489413346 /nfs/dbraw/zinc/41/33/46/489413346.db2.gz JWLRFTCYSMGSNU-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856098 489413348 /nfs/dbraw/zinc/41/33/48/489413348.db2.gz JWLRFTCYSMGSNU-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659839 489414456 /nfs/dbraw/zinc/41/44/56/489414456.db2.gz LYSOAEBNTJIRAK-ZBFHGGJFSA-N 2 2 355.442 0.816 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000286659839 489414457 /nfs/dbraw/zinc/41/44/57/489414457.db2.gz LYSOAEBNTJIRAK-ZBFHGGJFSA-N 2 2 355.442 0.816 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638558236 492960301 /nfs/dbraw/zinc/96/03/01/492960301.db2.gz WEMJBJYCQIYXLW-RYUDHWBXSA-N 2 2 352.401 0.429 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254105 /nfs/dbraw/zinc/25/41/05/491254105.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 3 2 374.529 0.929 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254107 /nfs/dbraw/zinc/25/41/07/491254107.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254108 /nfs/dbraw/zinc/25/41/08/491254108.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626421 491254110 /nfs/dbraw/zinc/25/41/10/491254110.db2.gz MTPHBAXFYTXUPD-QUCCMNQESA-N 3 2 374.529 0.929 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070423 489419084 /nfs/dbraw/zinc/41/90/84/489419084.db2.gz OWMYORBCIHUIIY-ZWKOTPCHSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070423 489419087 /nfs/dbraw/zinc/41/90/87/489419087.db2.gz OWMYORBCIHUIIY-ZWKOTPCHSA-N 2 2 359.474 0.772 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000299243452 489422955 /nfs/dbraw/zinc/42/29/55/489422955.db2.gz LCBOLVOBTLQUBH-CYBMUJFWSA-N 2 2 358.450 0.289 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000299243452 489422957 /nfs/dbraw/zinc/42/29/57/489422957.db2.gz LCBOLVOBTLQUBH-CYBMUJFWSA-N 2 2 358.450 0.289 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363123841 489427131 /nfs/dbraw/zinc/42/71/31/489427131.db2.gz JRCQTMCCCHIODV-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363123841 489427133 /nfs/dbraw/zinc/42/71/33/489427133.db2.gz JRCQTMCCCHIODV-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)n1C ZINC000287107617 489461978 /nfs/dbraw/zinc/46/19/78/489461978.db2.gz WHUKOWLMDXHUOI-AWEZNQCLSA-N 2 2 362.478 0.235 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1C ZINC000287107617 489461981 /nfs/dbraw/zinc/46/19/81/489461981.db2.gz WHUKOWLMDXHUOI-AWEZNQCLSA-N 2 2 362.478 0.235 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(=O)OC ZINC000371299961 489475032 /nfs/dbraw/zinc/47/50/32/489475032.db2.gz LXFPJVGPIBQOAX-UJHHCITNSA-N 2 2 369.506 0.874 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(=O)OC ZINC000371299961 489475033 /nfs/dbraw/zinc/47/50/33/489475033.db2.gz LXFPJVGPIBQOAX-UJHHCITNSA-N 2 2 369.506 0.874 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300580 489475488 /nfs/dbraw/zinc/47/54/88/489475488.db2.gz PZCRMHXPHSNMJH-BZUAXINKSA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300580 489475491 /nfs/dbraw/zinc/47/54/91/489475491.db2.gz PZCRMHXPHSNMJH-BZUAXINKSA-N 2 2 355.479 0.629 20 0 FCADLP COCCCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371409094 489482992 /nfs/dbraw/zinc/48/29/92/489482992.db2.gz KCIFRVHRBSDRFN-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP COCCCOCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371409094 489482993 /nfs/dbraw/zinc/48/29/93/489482993.db2.gz KCIFRVHRBSDRFN-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@@H](C)[NH2+]1 ZINC000423115235 489494110 /nfs/dbraw/zinc/49/41/10/489494110.db2.gz MZYWPHSTLASHCO-HUUCEWRRSA-N 2 2 364.515 0.644 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000371667317 489494938 /nfs/dbraw/zinc/49/49/38/489494938.db2.gz BZJJPSYRQYSOGF-INIZCTEOSA-N 2 2 374.489 0.279 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000371667317 489494942 /nfs/dbraw/zinc/49/49/42/489494942.db2.gz BZJJPSYRQYSOGF-INIZCTEOSA-N 2 2 374.489 0.279 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423135453 489496300 /nfs/dbraw/zinc/49/63/00/489496300.db2.gz UAZZRMIHLZODSN-QGZVFWFLSA-N 3 2 369.554 0.303 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423135453 489496302 /nfs/dbraw/zinc/49/63/02/489496302.db2.gz UAZZRMIHLZODSN-QGZVFWFLSA-N 3 2 369.554 0.303 20 0 FCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563626885 491259124 /nfs/dbraw/zinc/25/91/24/491259124.db2.gz WYDLAPCSNZPAOX-QAPCUYQASA-N 3 2 367.538 0.057 20 0 FCADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000555614221 491259515 /nfs/dbraw/zinc/25/95/15/491259515.db2.gz NUFQIQRRWIEONM-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423251233 489507345 /nfs/dbraw/zinc/50/73/45/489507345.db2.gz RQJNFWAKECYVOA-MRXNPFEDSA-N 2 2 360.458 0.289 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000423257608 489508094 /nfs/dbraw/zinc/50/80/94/489508094.db2.gz KHZSTQVUCKXKBO-JKSUJKDBSA-N 2 2 374.485 0.721 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423260042 489508547 /nfs/dbraw/zinc/50/85/47/489508547.db2.gz PFZDUACIODIFIS-WMZOPIPTSA-N 2 2 374.485 0.296 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)[NH+]1CCOCC1 ZINC000451598541 489510819 /nfs/dbraw/zinc/51/08/19/489510819.db2.gz WCKVNYSFFBRZNS-SJLPKXTDSA-N 2 2 353.507 0.600 20 0 FCADLP CCn1cc[nH+]c1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000451753048 489522002 /nfs/dbraw/zinc/52/20/02/489522002.db2.gz GROLBSSMHBLEGV-UHFFFAOYSA-N 2 2 354.480 0.756 20 0 FCADLP COC[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451925616 489531225 /nfs/dbraw/zinc/53/12/25/489531225.db2.gz LCDHJHDAVYTYMU-HXUWFJFHSA-N 2 2 361.486 0.662 20 0 FCADLP COC[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451925616 489531228 /nfs/dbraw/zinc/53/12/28/489531228.db2.gz LCDHJHDAVYTYMU-HXUWFJFHSA-N 2 2 361.486 0.662 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415577739 489532708 /nfs/dbraw/zinc/53/27/08/489532708.db2.gz ZCXSHJJNXZFQSM-JKSUJKDBSA-N 2 2 373.501 0.581 20 0 FCADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000372028796 489538098 /nfs/dbraw/zinc/53/80/98/489538098.db2.gz RXPGWMFPOHVNBL-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000372115312 489546052 /nfs/dbraw/zinc/54/60/52/489546052.db2.gz GGACYDZBNIUXTL-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000372115312 489546055 /nfs/dbraw/zinc/54/60/55/489546055.db2.gz GGACYDZBNIUXTL-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115312 489546056 /nfs/dbraw/zinc/54/60/56/489546056.db2.gz GGACYDZBNIUXTL-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[C@@H]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563662066 491262063 /nfs/dbraw/zinc/26/20/63/491262063.db2.gz VITXOFFXCJFULB-HZPDHXFCSA-N 2 2 350.507 0.729 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000425942734 489550483 /nfs/dbraw/zinc/55/04/83/489550483.db2.gz GMAUTCKSOUXTOP-KRWDZBQOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000425942734 489550486 /nfs/dbraw/zinc/55/04/86/489550486.db2.gz GMAUTCKSOUXTOP-KRWDZBQOSA-N 2 2 355.527 0.422 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000563669403 491262388 /nfs/dbraw/zinc/26/23/88/491262388.db2.gz BUMFZQQLTPZIRA-UHFFFAOYSA-N 2 2 372.473 0.932 20 0 FCADLP CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C1CC([NH3+])C1 ZINC000415795387 489553715 /nfs/dbraw/zinc/55/37/15/489553715.db2.gz YCTQMECWYUZYFQ-UHFFFAOYSA-N 2 2 359.474 0.321 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)c2)CC1 ZINC000415821961 489555095 /nfs/dbraw/zinc/55/50/95/489555095.db2.gz JMPFJSVDGCIABI-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000563673194 491262565 /nfs/dbraw/zinc/26/25/65/491262565.db2.gz LKEUJVQWUAFTIY-IBEHDNSVSA-N 2 2 359.536 0.777 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000415852670 489559009 /nfs/dbraw/zinc/55/90/09/489559009.db2.gz RIRCKLDJBHMANW-NVXWUHKLSA-N 2 2 374.485 0.901 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416002566 489567365 /nfs/dbraw/zinc/56/73/65/489567365.db2.gz FDIUMDYLFMIYON-CYBMUJFWSA-N 3 2 353.433 0.934 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416002566 489567367 /nfs/dbraw/zinc/56/73/67/489567367.db2.gz FDIUMDYLFMIYON-CYBMUJFWSA-N 3 2 353.433 0.934 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000426601082 489576277 /nfs/dbraw/zinc/57/62/77/489576277.db2.gz PSSRIMMLVLENDQ-HOTGVXAUSA-N 2 2 374.445 0.340 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000570786187 491264346 /nfs/dbraw/zinc/26/43/46/491264346.db2.gz SEVBCVUVTIWJOP-IIAWOOMASA-N 2 2 355.442 0.835 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000372413158 489582745 /nfs/dbraw/zinc/58/27/45/489582745.db2.gz VAGGPZVCWCYEBC-ZDUSSCGKSA-N 2 2 372.429 0.039 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000555673400 491265133 /nfs/dbraw/zinc/26/51/33/491265133.db2.gz KVITUUNFNHDOLO-QGZVFWFLSA-N 2 2 368.522 0.448 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427305885 489602148 /nfs/dbraw/zinc/60/21/48/489602148.db2.gz YGHPRODKUREWRZ-IAGOWNOFSA-N 2 2 368.522 0.452 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000372743208 489632168 /nfs/dbraw/zinc/63/21/68/489632168.db2.gz QVIULKBJCBITLW-KBPBESRZSA-N 2 2 354.476 0.023 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033538 489633551 /nfs/dbraw/zinc/63/35/51/489633551.db2.gz QIJKJDCKKNNZLJ-SJLPKXTDSA-N 2 2 356.470 0.879 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033538 489633553 /nfs/dbraw/zinc/63/35/53/489633553.db2.gz QIJKJDCKKNNZLJ-SJLPKXTDSA-N 2 2 356.470 0.879 20 0 FCADLP C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000372824433 489640616 /nfs/dbraw/zinc/64/06/16/489640616.db2.gz OVOUMCNPDPNLPL-INIZCTEOSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000372824433 489640619 /nfs/dbraw/zinc/64/06/19/489640619.db2.gz OVOUMCNPDPNLPL-INIZCTEOSA-N 2 2 366.506 0.348 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417292900 489646952 /nfs/dbraw/zinc/64/69/52/489646952.db2.gz DKSBVJNJYWJOAQ-PIIMJCKOSA-N 2 2 360.458 0.415 20 0 FCADLP [NH3+]C[C@H](NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000417291546 489646968 /nfs/dbraw/zinc/64/69/68/489646968.db2.gz ASGVIJHSJNNUMZ-SFHVURJKSA-N 2 2 362.474 0.934 20 0 FCADLP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417300526 489647547 /nfs/dbraw/zinc/64/75/47/489647547.db2.gz UIEWONAECDIYED-MRXNPFEDSA-N 2 2 350.463 0.934 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527678 489648034 /nfs/dbraw/zinc/64/80/34/489648034.db2.gz TXZOJQQAJOAIJB-BBWFWOEESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527678 489648037 /nfs/dbraw/zinc/64/80/37/489648037.db2.gz TXZOJQQAJOAIJB-BBWFWOEESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527678 489648038 /nfs/dbraw/zinc/64/80/38/489648038.db2.gz TXZOJQQAJOAIJB-BBWFWOEESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000457527678 489648041 /nfs/dbraw/zinc/64/80/41/489648041.db2.gz TXZOJQQAJOAIJB-BBWFWOEESA-N 2 2 354.495 0.506 20 0 FCADLP [NH3+]C[C@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417360279 489649316 /nfs/dbraw/zinc/64/93/16/489649316.db2.gz AAUXQAYVRWWUKA-HNNXBMFYSA-N 2 2 360.462 0.157 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000457721310 489655181 /nfs/dbraw/zinc/65/51/81/489655181.db2.gz BGQWSJPFBULSGR-HDICACEKSA-N 2 2 369.554 0.501 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000457721310 489655184 /nfs/dbraw/zinc/65/51/84/489655184.db2.gz BGQWSJPFBULSGR-HDICACEKSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000457721310 489655187 /nfs/dbraw/zinc/65/51/87/489655187.db2.gz BGQWSJPFBULSGR-HDICACEKSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000457721310 489655189 /nfs/dbraw/zinc/65/51/89/489655189.db2.gz BGQWSJPFBULSGR-HDICACEKSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000457736435 489655897 /nfs/dbraw/zinc/65/58/97/489655897.db2.gz GPDQPHZRDZHOLS-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417515411 489657033 /nfs/dbraw/zinc/65/70/33/489657033.db2.gz DBRMRCQGUJIAGO-HRCADAONSA-N 2 2 369.510 0.125 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428631584 489658470 /nfs/dbraw/zinc/65/84/70/489658470.db2.gz YGGAHVKCKIEGQE-OAHLLOKOSA-N 2 2 355.442 0.547 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(F)(F)C[NH3+] ZINC000417745962 489663945 /nfs/dbraw/zinc/66/39/45/489663945.db2.gz OWGDGONLPPWWDE-ZDUSSCGKSA-N 2 2 356.421 0.485 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCO[C@H](C[NH3+])C2)nc[nH+]1 ZINC000417768559 489665280 /nfs/dbraw/zinc/66/52/80/489665280.db2.gz CQJWNUNOOXRRGP-UONOGXRCSA-N 2 2 363.466 0.246 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CCCO[C@H](C[NH3+])C2)[nH+]cn1 ZINC000417768559 489665281 /nfs/dbraw/zinc/66/52/81/489665281.db2.gz CQJWNUNOOXRRGP-UONOGXRCSA-N 2 2 363.466 0.246 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991271 489669498 /nfs/dbraw/zinc/66/94/98/489669498.db2.gz JHMQAMZZWFVBOG-HNAYVOBHSA-N 2 2 359.474 0.577 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991271 489669501 /nfs/dbraw/zinc/66/95/01/489669501.db2.gz JHMQAMZZWFVBOG-HNAYVOBHSA-N 2 2 359.474 0.577 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158020 489672925 /nfs/dbraw/zinc/67/29/25/489672925.db2.gz DCUXUEOVXNZORB-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158020 489672927 /nfs/dbraw/zinc/67/29/27/489672927.db2.gz DCUXUEOVXNZORB-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP CCOC1CC(CNC(=O)NCC2(C)CC[NH2+]CC2)([NH+]2CCOCC2)C1 ZINC000418080884 489678030 /nfs/dbraw/zinc/67/80/30/489678030.db2.gz DOLHKLZNDHGARX-UHFFFAOYSA-N 2 2 368.522 0.945 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]CC2(N3CCOCC3)CC2)CC1 ZINC000373201021 489678462 /nfs/dbraw/zinc/67/84/62/489678462.db2.gz BINZYEWLXHQDKN-UHFFFAOYSA-N 2 2 352.523 0.237 20 0 FCADLP C(C[NH+]1CCC([NH2+]CC2(N3CCOCC3)CC2)CC1)N1CCOCC1 ZINC000373201021 489678464 /nfs/dbraw/zinc/67/84/64/489678464.db2.gz BINZYEWLXHQDKN-UHFFFAOYSA-N 2 2 352.523 0.237 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000373223205 489680196 /nfs/dbraw/zinc/68/01/96/489680196.db2.gz HDZGMIGLBSORQP-KURKYZTESA-N 2 2 350.507 0.478 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000373223205 489680198 /nfs/dbraw/zinc/68/01/98/489680198.db2.gz HDZGMIGLBSORQP-KURKYZTESA-N 2 2 350.507 0.478 20 0 FCADLP C[C@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C[NH+](C)C ZINC000488971049 489689687 /nfs/dbraw/zinc/68/96/87/489689687.db2.gz AKLGJBRIJKCKBE-CQSZACIVSA-N 2 2 355.508 0.627 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418303684 489690244 /nfs/dbraw/zinc/69/02/44/489690244.db2.gz STEQKQKDQNPOCS-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP C[C@@H](Cn1cncn1)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000429684808 489696854 /nfs/dbraw/zinc/69/68/54/489696854.db2.gz LCOSVOZVUWFXKZ-YOEHRIQHSA-N 2 2 353.430 0.598 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000418471820 489700399 /nfs/dbraw/zinc/70/03/99/489700399.db2.gz MNGWOPMHPCHOEX-OAHLLOKOSA-N 2 2 350.463 0.996 20 0 FCADLP O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489256970 489703636 /nfs/dbraw/zinc/70/36/36/489703636.db2.gz PRLIWTPARFMUCT-OAQYLSRUSA-N 2 2 373.497 0.982 20 0 FCADLP O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489256970 489703640 /nfs/dbraw/zinc/70/36/40/489703640.db2.gz PRLIWTPARFMUCT-OAQYLSRUSA-N 2 2 373.497 0.982 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cnn1C ZINC000469553834 489712168 /nfs/dbraw/zinc/71/21/68/489712168.db2.gz HZPCDEDOSDFNBI-WMZOPIPTSA-N 2 2 363.506 0.948 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000418642399 489714882 /nfs/dbraw/zinc/71/48/82/489714882.db2.gz OFRMCZCBKSFFJS-MRXNPFEDSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418691397 489718045 /nfs/dbraw/zinc/71/80/45/489718045.db2.gz YLFLYRZQUOYMGX-JYJNAYRXSA-N 2 2 365.522 0.746 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418748191 489721759 /nfs/dbraw/zinc/72/17/59/489721759.db2.gz KKENCNQTWRELTP-CABCVRRESA-N 2 2 351.495 0.513 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H]1CCCCNC1=O ZINC000430167516 489722820 /nfs/dbraw/zinc/72/28/20/489722820.db2.gz SJKDDZYRWOKPPA-IRXDYDNUSA-N 2 2 355.442 0.586 20 0 FCADLP C[C@H]1CN(C(=O)NCc2cc(C(N)=O)co2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000430219375 489724923 /nfs/dbraw/zinc/72/49/23/489724923.db2.gz MXINVBCELGMJOS-ZDUSSCGKSA-N 2 2 363.462 0.688 20 0 FCADLP C[C@H]1CN(C(=O)NCc2cc(C(N)=O)co2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000430219375 489724927 /nfs/dbraw/zinc/72/49/27/489724927.db2.gz MXINVBCELGMJOS-ZDUSSCGKSA-N 2 2 363.462 0.688 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418779361 489725667 /nfs/dbraw/zinc/72/56/67/489725667.db2.gz BCYNWFMGJSXCFL-KRWDZBQOSA-N 2 2 366.462 0.502 20 0 FCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489821771 489730291 /nfs/dbraw/zinc/73/02/91/489730291.db2.gz AORKBBXCGAJVTR-KURKYZTESA-N 2 2 352.523 0.677 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489938048 489736577 /nfs/dbraw/zinc/73/65/77/489736577.db2.gz VXUCRIAZHUYFOH-ICSRJNTNSA-N 2 2 371.529 0.703 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)C2=O)c1 ZINC000489959825 489737887 /nfs/dbraw/zinc/73/78/87/489737887.db2.gz WFOPMPIEXPBXEE-DNVCBOLYSA-N 2 2 374.485 0.789 20 0 FCADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489957478 489737979 /nfs/dbraw/zinc/73/79/79/489737979.db2.gz QFGABPSRJDBJBX-KBPBESRZSA-N 2 2 363.437 0.842 20 0 FCADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489961304 489738019 /nfs/dbraw/zinc/73/80/19/489738019.db2.gz YJHFFVAHUGUEGX-WBVHZDCISA-N 2 2 359.474 0.380 20 0 FCADLP CON1CCC([N@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000459582114 489740339 /nfs/dbraw/zinc/74/03/39/489740339.db2.gz PQJZJGKQMICTSY-UHFFFAOYSA-N 2 2 350.463 0.881 20 0 FCADLP CON1CCC([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000459582114 489740344 /nfs/dbraw/zinc/74/03/44/489740344.db2.gz PQJZJGKQMICTSY-UHFFFAOYSA-N 2 2 350.463 0.881 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833328 489745570 /nfs/dbraw/zinc/74/55/70/489745570.db2.gz NDOFQUZYJFCMEB-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833328 489745574 /nfs/dbraw/zinc/74/55/74/489745574.db2.gz NDOFQUZYJFCMEB-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000430573114 489747001 /nfs/dbraw/zinc/74/70/01/489747001.db2.gz PUTNCMGMMKIYPJ-YVEFUNNKSA-N 2 2 368.503 0.575 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC(OCCC[NH3+])CC3)cc2C1=O ZINC000430570156 489747549 /nfs/dbraw/zinc/74/75/49/489747549.db2.gz BGLDCMSECKUUIY-UHFFFAOYSA-N 2 2 374.441 0.681 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000430573042 489747563 /nfs/dbraw/zinc/74/75/63/489747563.db2.gz QOBOLYMDSHVPGE-MRXNPFEDSA-N 2 2 356.492 0.838 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC(=O)N1C ZINC000570957128 491276314 /nfs/dbraw/zinc/27/63/14/491276314.db2.gz FXFDTYSHSPFLHW-LJIGWXMPSA-N 2 2 374.489 0.675 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC(=O)N1C ZINC000570957128 491276316 /nfs/dbraw/zinc/27/63/16/491276316.db2.gz FXFDTYSHSPFLHW-LJIGWXMPSA-N 2 2 374.489 0.675 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000430579922 489748393 /nfs/dbraw/zinc/74/83/93/489748393.db2.gz GVBPHXLETJORDY-INIZCTEOSA-N 2 2 354.476 0.592 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)S(C)(=O)=O ZINC000430584192 489748506 /nfs/dbraw/zinc/74/85/06/489748506.db2.gz UILDHKZQIQAQKZ-OAHLLOKOSA-N 2 2 350.529 0.126 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430584700 489748610 /nfs/dbraw/zinc/74/86/10/489748610.db2.gz PNWSLCJJKAVRFZ-CYBMUJFWSA-N 2 2 372.491 0.586 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430584700 489748612 /nfs/dbraw/zinc/74/86/12/489748612.db2.gz PNWSLCJJKAVRFZ-CYBMUJFWSA-N 2 2 372.491 0.586 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586988 489749324 /nfs/dbraw/zinc/74/93/24/489749324.db2.gz UPGXAOABKHCSRW-WFASDCNBSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586988 489749327 /nfs/dbraw/zinc/74/93/27/489749327.db2.gz UPGXAOABKHCSRW-WFASDCNBSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586985 489749370 /nfs/dbraw/zinc/74/93/70/489749370.db2.gz UPGXAOABKHCSRW-DOMZBBRYSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586985 489749372 /nfs/dbraw/zinc/74/93/72/489749372.db2.gz UPGXAOABKHCSRW-DOMZBBRYSA-N 2 2 356.492 0.966 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430591343 489749387 /nfs/dbraw/zinc/74/93/87/489749387.db2.gz APHZVGAVXWUGGB-CQSZACIVSA-N 2 2 356.492 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430591343 489749389 /nfs/dbraw/zinc/74/93/89/489749389.db2.gz APHZVGAVXWUGGB-CQSZACIVSA-N 2 2 356.492 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430586257 489749533 /nfs/dbraw/zinc/74/95/33/489749533.db2.gz YIGBBSPPYZJBKL-CHWSQXEVSA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430586257 489749536 /nfs/dbraw/zinc/74/95/36/489749536.db2.gz YIGBBSPPYZJBKL-CHWSQXEVSA-N 2 2 354.476 0.640 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000430613692 489752985 /nfs/dbraw/zinc/75/29/85/489752985.db2.gz ADRGMKZRNVZJTM-OAHLLOKOSA-N 2 2 350.850 0.809 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000430613692 489752988 /nfs/dbraw/zinc/75/29/88/489752988.db2.gz ADRGMKZRNVZJTM-OAHLLOKOSA-N 2 2 350.850 0.809 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619526 489754458 /nfs/dbraw/zinc/75/44/58/489754458.db2.gz GFQPRDOBTQNZOE-CHWSQXEVSA-N 2 2 351.476 0.614 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619526 489754463 /nfs/dbraw/zinc/75/44/63/489754463.db2.gz GFQPRDOBTQNZOE-CHWSQXEVSA-N 2 2 351.476 0.614 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430619486 489754881 /nfs/dbraw/zinc/75/48/81/489754881.db2.gz BJCKSNGBLIFUDQ-CYBMUJFWSA-N 2 2 361.446 0.336 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430619486 489754883 /nfs/dbraw/zinc/75/48/83/489754883.db2.gz BJCKSNGBLIFUDQ-CYBMUJFWSA-N 2 2 361.446 0.336 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430618385 489755215 /nfs/dbraw/zinc/75/52/15/489755215.db2.gz TVXGUVNCWKQFOI-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430618385 489755216 /nfs/dbraw/zinc/75/52/16/489755216.db2.gz TVXGUVNCWKQFOI-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623028 489756488 /nfs/dbraw/zinc/75/64/88/489756488.db2.gz GGFPTIUMZZWUCY-CQSZACIVSA-N 2 2 369.487 0.256 20 0 FCADLP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623028 489756491 /nfs/dbraw/zinc/75/64/91/489756491.db2.gz GGFPTIUMZZWUCY-CQSZACIVSA-N 2 2 369.487 0.256 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000555856814 491276961 /nfs/dbraw/zinc/27/69/61/491276961.db2.gz XSZOTYOVBNAKAG-KRWDZBQOSA-N 2 2 370.538 0.506 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000430625267 489757153 /nfs/dbraw/zinc/75/71/53/489757153.db2.gz JTJUBCPXAPHODD-GFCCVEGCSA-N 2 2 365.503 0.747 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000430625267 489757159 /nfs/dbraw/zinc/75/71/59/489757159.db2.gz JTJUBCPXAPHODD-GFCCVEGCSA-N 2 2 365.503 0.747 20 0 FCADLP CC1CCC(N(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)CC1 ZINC000430629665 489758063 /nfs/dbraw/zinc/75/80/63/489758063.db2.gz QKZWHONYGNGKCV-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP CC1CCC(N(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)CC1 ZINC000430629665 489758065 /nfs/dbraw/zinc/75/80/65/489758065.db2.gz QKZWHONYGNGKCV-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430635124 489759419 /nfs/dbraw/zinc/75/94/19/489759419.db2.gz ULDQXLWFXHLJIO-QGZVFWFLSA-N 3 2 360.502 0.806 20 0 FCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430635124 489759424 /nfs/dbraw/zinc/75/94/24/489759424.db2.gz ULDQXLWFXHLJIO-QGZVFWFLSA-N 3 2 360.502 0.806 20 0 FCADLP [NH3+]C[C@H]1CCCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430635124 489759429 /nfs/dbraw/zinc/75/94/29/489759429.db2.gz ULDQXLWFXHLJIO-QGZVFWFLSA-N 2 2 360.502 0.806 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634676 489759614 /nfs/dbraw/zinc/75/96/14/489759614.db2.gz DXRYSOFJMVSIKX-STQMWFEESA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634676 489759617 /nfs/dbraw/zinc/75/96/17/489759617.db2.gz DXRYSOFJMVSIKX-STQMWFEESA-N 2 2 354.476 0.592 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647520 489761830 /nfs/dbraw/zinc/76/18/30/489761830.db2.gz QFXOVYIFAMBJJI-KGLIPLIRSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647520 489761833 /nfs/dbraw/zinc/76/18/33/489761833.db2.gz QFXOVYIFAMBJJI-KGLIPLIRSA-N 2 2 350.438 0.790 20 0 FCADLP C[N@H+](CC(=O)NCCCOc1ccccc1F)CC(=O)N1CC[NH2+]CC1 ZINC000430649463 489762067 /nfs/dbraw/zinc/76/20/67/489762067.db2.gz IRPGZZIIUACICK-UHFFFAOYSA-N 2 2 366.437 0.074 20 0 FCADLP C[N@@H+](CC(=O)NCCCOc1ccccc1F)CC(=O)N1CC[NH2+]CC1 ZINC000430649463 489762072 /nfs/dbraw/zinc/76/20/72/489762072.db2.gz IRPGZZIIUACICK-UHFFFAOYSA-N 2 2 366.437 0.074 20 0 FCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430653303 489763896 /nfs/dbraw/zinc/76/38/96/489763896.db2.gz YRLRZPYMQQMJLU-QGZVFWFLSA-N 3 2 352.523 0.808 20 0 FCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430653303 489763900 /nfs/dbraw/zinc/76/39/00/489763900.db2.gz YRLRZPYMQQMJLU-QGZVFWFLSA-N 3 2 352.523 0.808 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430703104 489765375 /nfs/dbraw/zinc/76/53/75/489765375.db2.gz JMTJECRVYSXJIB-JJXSEGSLSA-N 2 2 354.495 0.093 20 0 FCADLP COc1cc(OC)cc([C@H](NC(=O)COC2C[NH2+]C2)c2[nH+]ccn2C)c1 ZINC000430766070 489768424 /nfs/dbraw/zinc/76/84/24/489768424.db2.gz SXFBLEUHOFTWHA-KRWDZBQOSA-N 2 2 360.414 0.631 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000418874183 489768726 /nfs/dbraw/zinc/76/87/26/489768726.db2.gz ISRJLYYLIKAOFV-SWLSCSKDSA-N 2 2 352.866 0.927 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000430895046 489775083 /nfs/dbraw/zinc/77/50/83/489775083.db2.gz RQIPYKKHJCTIDB-LPHOPBHVSA-N 2 2 371.485 0.638 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000430895046 489775087 /nfs/dbraw/zinc/77/50/87/489775087.db2.gz RQIPYKKHJCTIDB-LPHOPBHVSA-N 2 2 371.485 0.638 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430929284 489777978 /nfs/dbraw/zinc/77/79/78/489777978.db2.gz ORDFZRQLWQPWKQ-OCCSQVGLSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430929284 489777982 /nfs/dbraw/zinc/77/79/82/489777982.db2.gz ORDFZRQLWQPWKQ-OCCSQVGLSA-N 2 2 351.447 0.998 20 0 FCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430940804 489779591 /nfs/dbraw/zinc/77/95/91/489779591.db2.gz RGPUKELXPVHZSM-HNNXBMFYSA-N 2 2 350.507 0.955 20 0 FCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430940804 489779595 /nfs/dbraw/zinc/77/95/95/489779595.db2.gz RGPUKELXPVHZSM-HNNXBMFYSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430933538 489779608 /nfs/dbraw/zinc/77/96/08/489779608.db2.gz IPEFCPDFPJEEBL-NXEZZACHSA-N 2 2 358.364 0.828 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430933538 489779611 /nfs/dbraw/zinc/77/96/11/489779611.db2.gz IPEFCPDFPJEEBL-NXEZZACHSA-N 2 2 358.364 0.828 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000430941203 489779817 /nfs/dbraw/zinc/77/98/17/489779817.db2.gz UXKNWZFXGLLFNF-IAGOWNOFSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000430941203 489779819 /nfs/dbraw/zinc/77/98/19/489779819.db2.gz UXKNWZFXGLLFNF-IAGOWNOFSA-N 3 2 352.523 0.807 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418897088 489780254 /nfs/dbraw/zinc/78/02/54/489780254.db2.gz GGHVBOGYLLZIQQ-QGZVFWFLSA-N 2 2 355.442 0.887 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418899889 489780745 /nfs/dbraw/zinc/78/07/45/489780745.db2.gz JEMIZLXODBACGI-WMLDXEAASA-N 2 2 355.442 0.662 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430952118 489780715 /nfs/dbraw/zinc/78/07/15/489780715.db2.gz OLOKJAPXGOTHGN-CQSZACIVSA-N 2 2 350.488 0.574 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430952118 489780718 /nfs/dbraw/zinc/78/07/18/489780718.db2.gz OLOKJAPXGOTHGN-CQSZACIVSA-N 2 2 350.488 0.574 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430942144 489780770 /nfs/dbraw/zinc/78/07/70/489780770.db2.gz KUMVKLPIFVGFAN-HOCLYGCPSA-N 2 2 359.536 0.861 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2cc(OC)c(OC)cc2OC)C1 ZINC000430946750 489780888 /nfs/dbraw/zinc/78/08/88/489780888.db2.gz XSWRZEUUIBNVEL-ZDUSSCGKSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cc(OC)c(OC)cc2OC)C1 ZINC000430946750 489780893 /nfs/dbraw/zinc/78/08/93/489780893.db2.gz XSWRZEUUIBNVEL-ZDUSSCGKSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712719 489782237 /nfs/dbraw/zinc/78/22/37/489782237.db2.gz WQIOMOSJCBGGDZ-DZGCQCFKSA-N 2 2 360.449 0.237 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712719 489782240 /nfs/dbraw/zinc/78/22/40/489782240.db2.gz WQIOMOSJCBGGDZ-DZGCQCFKSA-N 2 2 360.449 0.237 20 0 FCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430957349 489782344 /nfs/dbraw/zinc/78/23/44/489782344.db2.gz OLGIABILNQTYJJ-STQMWFEESA-N 2 2 368.503 0.584 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430957166 489782627 /nfs/dbraw/zinc/78/26/27/489782627.db2.gz RBBMJILWKUCAKX-IJEWVQPXSA-N 2 2 359.536 0.860 20 0 FCADLP Cc1ccc(CCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c[nH+]1 ZINC000474708011 489782615 /nfs/dbraw/zinc/78/26/15/489782615.db2.gz LEVIRLMPYZRXCU-SJORKVTESA-N 2 2 353.488 0.410 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970255 489783310 /nfs/dbraw/zinc/78/33/10/489783310.db2.gz GUZLWMCSKVKCFE-DVZHBHJUSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970255 489783314 /nfs/dbraw/zinc/78/33/14/489783314.db2.gz GUZLWMCSKVKCFE-DVZHBHJUSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968698 489783435 /nfs/dbraw/zinc/78/34/35/489783435.db2.gz AZOQKFRDGZRLNU-XUJVJEKNSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968698 489783440 /nfs/dbraw/zinc/78/34/40/489783440.db2.gz AZOQKFRDGZRLNU-XUJVJEKNSA-N 2 2 366.487 0.281 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418908949 489786452 /nfs/dbraw/zinc/78/64/52/489786452.db2.gz IRJZYRVRSPXHSB-ROUUACIJSA-N 2 2 374.485 0.521 20 0 FCADLP NC(=O)[C@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000431089123 489788389 /nfs/dbraw/zinc/78/83/89/489788389.db2.gz ZAWOMXPIJFPAEX-QGZVFWFLSA-N 2 2 350.438 0.934 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccnn3CC[NH+](C)C)C2)CC1 ZINC000555877667 491278868 /nfs/dbraw/zinc/27/88/68/491278868.db2.gz UTLRQGRSSQRCIX-MRXNPFEDSA-N 2 2 363.510 0.688 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000459916761 489791018 /nfs/dbraw/zinc/79/10/18/489791018.db2.gz INMCPATVOBNOMV-IBGZPJMESA-N 2 2 366.506 0.111 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418919163 489791510 /nfs/dbraw/zinc/79/15/10/489791510.db2.gz WUJSMCKJNDTCMM-SFHVURJKSA-N 2 2 374.485 0.475 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000459921582 489793867 /nfs/dbraw/zinc/79/38/67/489793867.db2.gz XTRKQUYVKOKSCV-KRWDZBQOSA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000459921586 489794427 /nfs/dbraw/zinc/79/44/27/489794427.db2.gz XTRKQUYVKOKSCV-QGZVFWFLSA-N 2 2 364.490 0.006 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418945523 489799303 /nfs/dbraw/zinc/79/93/03/489799303.db2.gz PSJNCTARFIJSRE-CHWSQXEVSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418945523 489799307 /nfs/dbraw/zinc/79/93/07/489799307.db2.gz PSJNCTARFIJSRE-CHWSQXEVSA-N 2 2 350.488 0.418 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000459984943 489809038 /nfs/dbraw/zinc/80/90/38/489809038.db2.gz DKULGQVHHSEQGD-WBVHZDCISA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000459984943 489809041 /nfs/dbraw/zinc/80/90/41/489809041.db2.gz DKULGQVHHSEQGD-WBVHZDCISA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000459984103 489809139 /nfs/dbraw/zinc/80/91/39/489809139.db2.gz BGJYAHKOQZLAFH-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000459984103 489809142 /nfs/dbraw/zinc/80/91/42/489809142.db2.gz BGJYAHKOQZLAFH-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000459985444 489809702 /nfs/dbraw/zinc/80/97/02/489809702.db2.gz DMIWFMARXGTCKO-CVEARBPZSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000459985444 489809709 /nfs/dbraw/zinc/80/97/09/489809709.db2.gz DMIWFMARXGTCKO-CVEARBPZSA-N 2 2 352.523 0.975 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419005863 489815141 /nfs/dbraw/zinc/81/51/41/489815141.db2.gz VZQLURWJWKGJJU-ARFHVFGLSA-N 2 2 369.469 0.965 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)CC1 ZINC000376919499 489817876 /nfs/dbraw/zinc/81/78/76/489817876.db2.gz OULISQNUVXHFGW-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000431836390 489820927 /nfs/dbraw/zinc/82/09/27/489820927.db2.gz QZNJVQYSOSORHY-UHFFFAOYSA-N 2 2 358.402 0.178 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000475397608 489823492 /nfs/dbraw/zinc/82/34/92/489823492.db2.gz WZKQVMHPQULFNX-GJZGRUSLSA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000475397608 489823494 /nfs/dbraw/zinc/82/34/94/489823494.db2.gz WZKQVMHPQULFNX-GJZGRUSLSA-N 2 2 355.479 0.344 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000431990127 489825374 /nfs/dbraw/zinc/82/53/74/489825374.db2.gz FXAPXCHVFFGUMP-UHFFFAOYSA-N 2 2 372.429 0.486 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1F ZINC000419034487 489827663 /nfs/dbraw/zinc/82/76/63/489827663.db2.gz ZTFOAHMHQQYGAG-LBPRGKRZSA-N 2 2 359.405 0.756 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000376971822 489827658 /nfs/dbraw/zinc/82/76/58/489827658.db2.gz AHWAEPDJOLXUIA-RCCFBDPRSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000376971822 489827660 /nfs/dbraw/zinc/82/76/60/489827660.db2.gz AHWAEPDJOLXUIA-RCCFBDPRSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)c3cn(CCCC[NH3+])nn3)c[nH+]2)CCO1 ZINC000571043408 491281768 /nfs/dbraw/zinc/28/17/68/491281768.db2.gz BNVHWMHONAIKKC-AWEZNQCLSA-N 2 2 373.461 0.567 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)[C@H](C)C[NH2+]1 ZINC000419055278 489837294 /nfs/dbraw/zinc/83/72/94/489837294.db2.gz ATBCOEUORXGZHQ-IOASZLSFSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)[C@@H](C)C[NH2+]1 ZINC000419055277 489837756 /nfs/dbraw/zinc/83/77/56/489837756.db2.gz ATBCOEUORXGZHQ-DVOMOZLQSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC[NH2+]1 ZINC000419067442 489842672 /nfs/dbraw/zinc/84/26/72/489842672.db2.gz DLINKVZPZDQBOH-SWLSCSKDSA-N 2 2 359.405 0.585 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000460073066 489843951 /nfs/dbraw/zinc/84/39/51/489843951.db2.gz DIMGQQDYOKMIFE-QGZVFWFLSA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000460073066 489843955 /nfs/dbraw/zinc/84/39/55/489843955.db2.gz DIMGQQDYOKMIFE-QGZVFWFLSA-N 2 2 373.501 0.898 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460075071 489844131 /nfs/dbraw/zinc/84/41/31/489844131.db2.gz KLIXMQSBFBXFAT-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419069677 489844271 /nfs/dbraw/zinc/84/42/71/489844271.db2.gz GHUOEISQPKROQC-GJZGRUSLSA-N 2 2 359.405 0.715 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC[NH2+]1 ZINC000419070492 489844543 /nfs/dbraw/zinc/84/45/43/489844543.db2.gz HJQZWUZIVWZROV-WFASDCNBSA-N 2 2 359.405 0.585 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000419084317 489850088 /nfs/dbraw/zinc/85/00/88/489850088.db2.gz SYMFXADZWNQYBR-HUUCEWRRSA-N 2 2 359.405 0.715 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000419084315 489850623 /nfs/dbraw/zinc/85/06/23/489850623.db2.gz SYMFXADZWNQYBR-CABCVRRESA-N 2 2 359.405 0.715 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCNC2=O)cc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000432776349 489853980 /nfs/dbraw/zinc/85/39/80/489853980.db2.gz NGINPHJKUHBKKF-CALCHBBNSA-N 2 2 360.458 0.336 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCNC2=O)cc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000432776349 489853985 /nfs/dbraw/zinc/85/39/85/489853985.db2.gz NGINPHJKUHBKKF-CALCHBBNSA-N 2 2 360.458 0.336 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCNC2=O)cc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000432776349 489853989 /nfs/dbraw/zinc/85/39/89/489853989.db2.gz NGINPHJKUHBKKF-CALCHBBNSA-N 2 2 360.458 0.336 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCNC2=O)cc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000432776349 489853991 /nfs/dbraw/zinc/85/39/91/489853991.db2.gz NGINPHJKUHBKKF-CALCHBBNSA-N 2 2 360.458 0.336 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)C[C@@H]21 ZINC000419106139 489857206 /nfs/dbraw/zinc/85/72/06/489857206.db2.gz COBDKMJOXSVLRY-CWRNSKLLSA-N 2 2 355.442 0.579 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419110182 489858487 /nfs/dbraw/zinc/85/84/87/489858487.db2.gz BQMGJLYZWXHSJJ-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000419110718 489859033 /nfs/dbraw/zinc/85/90/33/489859033.db2.gz CMEYSORJDYIBFO-HRCADAONSA-N 2 2 354.495 0.058 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000419111159 489860041 /nfs/dbraw/zinc/86/00/41/489860041.db2.gz CWQYPYONAOKGJX-QGZVFWFLSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419113487 489860799 /nfs/dbraw/zinc/86/07/99/489860799.db2.gz HAVGLCLMBYGFNL-GDBMZVCRSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419118577 489863305 /nfs/dbraw/zinc/86/33/05/489863305.db2.gz ODJGWNRSOHPLQJ-JKSUJKDBSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419123110 489867208 /nfs/dbraw/zinc/86/72/08/489867208.db2.gz VDRFPWPLZMDNJK-YJBOKZPZSA-N 2 2 354.495 0.047 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@@H]1[NH3+] ZINC000419124505 489867991 /nfs/dbraw/zinc/86/79/91/489867991.db2.gz XKLOELRVPVUQEU-HOCLYGCPSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000433149890 489868969 /nfs/dbraw/zinc/86/89/69/489868969.db2.gz UYFUINYFMDNXJD-UHFFFAOYSA-N 3 2 361.490 0.738 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419983428 489872819 /nfs/dbraw/zinc/87/28/19/489872819.db2.gz UQRHRNJTABQNNF-SKHCZCESSA-N 2 2 358.486 0.816 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180044 489873392 /nfs/dbraw/zinc/87/33/92/489873392.db2.gz QVDRFZLDJPULBQ-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180044 489873397 /nfs/dbraw/zinc/87/33/97/489873397.db2.gz QVDRFZLDJPULBQ-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000494180044 489873401 /nfs/dbraw/zinc/87/34/01/489873401.db2.gz QVDRFZLDJPULBQ-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000494180044 489873403 /nfs/dbraw/zinc/87/34/03/489873403.db2.gz QVDRFZLDJPULBQ-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnnn2C2CCOCC2)C1 ZINC000433260666 489874388 /nfs/dbraw/zinc/87/43/88/489874388.db2.gz LREZMOAOGDAHIW-MRXNPFEDSA-N 2 2 352.483 0.957 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnnn2C2CCOCC2)C1 ZINC000433260666 489874392 /nfs/dbraw/zinc/87/43/92/489874392.db2.gz LREZMOAOGDAHIW-MRXNPFEDSA-N 2 2 352.483 0.957 20 0 FCADLP C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000494234678 489876696 /nfs/dbraw/zinc/87/66/96/489876696.db2.gz QTCBMZPXRAVABP-UGSOOPFHSA-N 2 2 373.461 0.169 20 0 FCADLP C[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1(F)F ZINC000461001633 489893010 /nfs/dbraw/zinc/89/30/10/489893010.db2.gz QOZFAKZNLNRODS-CJNGLKHVSA-N 2 2 372.460 0.584 20 0 FCADLP C[C@H]1[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1(F)F ZINC000461001632 489893232 /nfs/dbraw/zinc/89/32/32/489893232.db2.gz QOZFAKZNLNRODS-BBRMVZONSA-N 2 2 372.460 0.584 20 0 FCADLP CC(C)([NH3+])CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420063725 489899232 /nfs/dbraw/zinc/89/92/32/489899232.db2.gz UZKPEHJXBSFILZ-UHFFFAOYSA-N 2 2 368.235 0.567 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000420065662 489900135 /nfs/dbraw/zinc/90/01/35/489900135.db2.gz PRRBVRVBSZQXSL-KBXIAJHMSA-N 2 2 363.462 0.522 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000433934834 489905693 /nfs/dbraw/zinc/90/56/93/489905693.db2.gz QXEJRAKEQHODHI-GOSISDBHSA-N 2 2 369.554 0.766 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000433934834 489905694 /nfs/dbraw/zinc/90/56/94/489905694.db2.gz QXEJRAKEQHODHI-GOSISDBHSA-N 2 2 369.554 0.766 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000433988989 489908868 /nfs/dbraw/zinc/90/88/68/489908868.db2.gz VDLUKGDBDHFLDB-GVDBMIGSSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000433989796 489908881 /nfs/dbraw/zinc/90/88/81/489908881.db2.gz HLVAAWIHQLELHR-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420092967 489909325 /nfs/dbraw/zinc/90/93/25/489909325.db2.gz CHNFYESEJQBCOF-RYRKJORJSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420092967 489909327 /nfs/dbraw/zinc/90/93/27/489909327.db2.gz CHNFYESEJQBCOF-RYRKJORJSA-N 2 2 358.486 0.834 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000420112510 489916699 /nfs/dbraw/zinc/91/66/99/489916699.db2.gz BBDJNOXLLHMHRS-DOTOQJQBSA-N 2 2 361.490 0.921 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000420128906 489923205 /nfs/dbraw/zinc/92/32/05/489923205.db2.gz QFEIRTFZLSENJJ-IRXDYDNUSA-N 2 2 374.485 0.466 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCC1 ZINC000420140582 489927235 /nfs/dbraw/zinc/92/72/35/489927235.db2.gz XWRHRYBLRCOJLS-XBXARRHUSA-N 2 2 356.470 0.842 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420148356 489931191 /nfs/dbraw/zinc/93/11/91/489931191.db2.gz UIPRGTGLZPPJSP-WMZOPIPTSA-N 2 2 374.485 0.324 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420183191 489943064 /nfs/dbraw/zinc/94/30/64/489943064.db2.gz GFJINOADANMSEA-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420183191 489943066 /nfs/dbraw/zinc/94/30/66/489943066.db2.gz GFJINOADANMSEA-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2ncnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420288618 489960086 /nfs/dbraw/zinc/96/00/86/489960086.db2.gz HHAWMQBDXLDLAB-MRXNPFEDSA-N 2 2 354.458 0.911 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2ncnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420288618 489960089 /nfs/dbraw/zinc/96/00/89/489960089.db2.gz HHAWMQBDXLDLAB-MRXNPFEDSA-N 2 2 354.458 0.911 20 0 FCADLP Cc1oc2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)nc(N)c2c1C ZINC000420302797 489961434 /nfs/dbraw/zinc/96/14/34/489961434.db2.gz GOLXZGJSTPOHMB-ZDUSSCGKSA-N 2 2 358.446 0.818 20 0 FCADLP Cc1oc2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)nc(N)c2c1C ZINC000420302797 489961437 /nfs/dbraw/zinc/96/14/37/489961437.db2.gz GOLXZGJSTPOHMB-ZDUSSCGKSA-N 2 2 358.446 0.818 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307336 489961825 /nfs/dbraw/zinc/96/18/25/489961825.db2.gz LVLAHSJHBABBNK-VXGBXAGGSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307336 489961827 /nfs/dbraw/zinc/96/18/27/489961827.db2.gz LVLAHSJHBABBNK-VXGBXAGGSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307333 489961844 /nfs/dbraw/zinc/96/18/44/489961844.db2.gz LVLAHSJHBABBNK-NWDGAFQWSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307333 489961846 /nfs/dbraw/zinc/96/18/46/489961846.db2.gz LVLAHSJHBABBNK-NWDGAFQWSA-N 2 2 363.414 0.867 20 0 FCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346719 489965829 /nfs/dbraw/zinc/96/58/29/489965829.db2.gz DJFNHRMGLPCJRG-HUUCEWRRSA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346719 489965831 /nfs/dbraw/zinc/96/58/31/489965831.db2.gz DJFNHRMGLPCJRG-HUUCEWRRSA-N 2 2 367.291 0.955 20 0 FCADLP CCCCN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000420355631 489967872 /nfs/dbraw/zinc/96/78/72/489967872.db2.gz CDCZEWPCRLAEHA-KCYZZUKISA-N 2 2 359.536 0.778 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000420371315 489968239 /nfs/dbraw/zinc/96/82/39/489968239.db2.gz DCDYQQTUESARQM-GXTWGEPZSA-N 2 2 368.503 0.758 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000420371315 489968244 /nfs/dbraw/zinc/96/82/44/489968244.db2.gz DCDYQQTUESARQM-GXTWGEPZSA-N 2 2 368.503 0.758 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1C ZINC000420371316 489968557 /nfs/dbraw/zinc/96/85/57/489968557.db2.gz DCDYQQTUESARQM-JSGCOSHPSA-N 2 2 368.503 0.758 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1C ZINC000420371316 489968559 /nfs/dbraw/zinc/96/85/59/489968559.db2.gz DCDYQQTUESARQM-JSGCOSHPSA-N 2 2 368.503 0.758 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420368603 489968569 /nfs/dbraw/zinc/96/85/69/489968569.db2.gz UIBWJZLEKZWMPP-OAHLLOKOSA-N 2 2 350.463 0.867 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420368484 489968870 /nfs/dbraw/zinc/96/88/70/489968870.db2.gz ATXPTXCJRVYQOK-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420368484 489968871 /nfs/dbraw/zinc/96/88/71/489968871.db2.gz ATXPTXCJRVYQOK-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420378569 489969893 /nfs/dbraw/zinc/96/98/93/489969893.db2.gz MEEMPASEAJESMU-ZIAGYGMSSA-N 2 2 368.503 0.792 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420378569 489969895 /nfs/dbraw/zinc/96/98/95/489969895.db2.gz MEEMPASEAJESMU-ZIAGYGMSSA-N 2 2 368.503 0.792 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1OC ZINC000420391062 489970380 /nfs/dbraw/zinc/97/03/80/489970380.db2.gz NVHQEPUQLBOOAB-OAHLLOKOSA-N 2 2 351.447 0.712 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c1OC ZINC000420391062 489970383 /nfs/dbraw/zinc/97/03/83/489970383.db2.gz NVHQEPUQLBOOAB-OAHLLOKOSA-N 2 2 351.447 0.712 20 0 FCADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420391587 489970879 /nfs/dbraw/zinc/97/08/79/489970879.db2.gz ONMZWTAIJQIPID-QGZVFWFLSA-N 2 2 351.447 0.630 20 0 FCADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420391587 489970883 /nfs/dbraw/zinc/97/08/83/489970883.db2.gz ONMZWTAIJQIPID-QGZVFWFLSA-N 2 2 351.447 0.630 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000420402306 489971259 /nfs/dbraw/zinc/97/12/59/489971259.db2.gz JZDXJYHKEQIIRS-OCCSQVGLSA-N 2 2 366.487 0.140 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000420402306 489971261 /nfs/dbraw/zinc/97/12/61/489971261.db2.gz JZDXJYHKEQIIRS-OCCSQVGLSA-N 2 2 366.487 0.140 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000420402301 489971962 /nfs/dbraw/zinc/97/19/62/489971962.db2.gz JZDXJYHKEQIIRS-GXTWGEPZSA-N 2 2 366.487 0.140 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000420402301 489971964 /nfs/dbraw/zinc/97/19/64/489971964.db2.gz JZDXJYHKEQIIRS-GXTWGEPZSA-N 2 2 366.487 0.140 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462397926 489973766 /nfs/dbraw/zinc/97/37/66/489973766.db2.gz WKMGEFMFLOANOC-WBMJQRKESA-N 2 2 352.460 0.346 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462397926 489973769 /nfs/dbraw/zinc/97/37/69/489973769.db2.gz WKMGEFMFLOANOC-WBMJQRKESA-N 2 2 352.460 0.346 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000556081131 491292639 /nfs/dbraw/zinc/29/26/39/491292639.db2.gz OOISYFDURWWTNI-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000477815308 489992334 /nfs/dbraw/zinc/99/23/34/489992334.db2.gz HHSDFKKYKRPBGF-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000477958984 489998172 /nfs/dbraw/zinc/99/81/72/489998172.db2.gz GYNWGCWIFWISKI-LPHOPBHVSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377874 490000671 /nfs/dbraw/zinc/00/06/71/490000671.db2.gz GDKFLCMXFRHBPE-GJZGRUSLSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377874 490000673 /nfs/dbraw/zinc/00/06/73/490000673.db2.gz GDKFLCMXFRHBPE-GJZGRUSLSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@@H]1C[NH+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000463353342 490012440 /nfs/dbraw/zinc/01/24/40/490012440.db2.gz UCXHJUPVNFPDFZ-HZPDHXFCSA-N 2 2 363.524 0.127 20 0 FCADLP C[C@H](O)c1cn(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000378146590 490017844 /nfs/dbraw/zinc/01/78/44/490017844.db2.gz GTDTYWMMUPPIEN-ZDUSSCGKSA-N 2 2 350.467 0.006 20 0 FCADLP CS(=O)(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420898513 490029848 /nfs/dbraw/zinc/02/98/48/490029848.db2.gz FHHPFEYTFPLSTD-UHFFFAOYSA-N 2 2 353.488 0.596 20 0 FCADLP COCCCn1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000438304885 490032921 /nfs/dbraw/zinc/03/29/21/490032921.db2.gz MPHFBZBXVUFOEZ-UHFFFAOYSA-N 2 2 366.510 1.409 20 0 FCADLP COCCCn1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000438304885 490032923 /nfs/dbraw/zinc/03/29/23/490032923.db2.gz MPHFBZBXVUFOEZ-UHFFFAOYSA-N 2 2 366.510 1.409 20 0 FCADLP C[NH+](C)CCn1ncc(C(=O)N2CC[NH+](CCO)CC2)c1-c1ccccc1 ZINC000478717276 490033092 /nfs/dbraw/zinc/03/30/92/490033092.db2.gz SWSHMJSWOYCVJV-UHFFFAOYSA-N 2 2 371.485 0.862 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)C1 ZINC000478794114 490037563 /nfs/dbraw/zinc/03/75/63/490037563.db2.gz HGYZPKYFMUDJLO-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)C1 ZINC000478794114 490037566 /nfs/dbraw/zinc/03/75/66/490037566.db2.gz HGYZPKYFMUDJLO-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420981566 490038088 /nfs/dbraw/zinc/03/80/88/490038088.db2.gz GETOQUDMJMUCNW-HNNXBMFYSA-N 2 2 350.488 0.603 20 0 FCADLP CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420981566 490038090 /nfs/dbraw/zinc/03/80/90/490038090.db2.gz GETOQUDMJMUCNW-HNNXBMFYSA-N 2 2 350.488 0.603 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000378284458 490039988 /nfs/dbraw/zinc/03/99/88/490039988.db2.gz CDRFCDFPVJMINR-CQSZACIVSA-N 2 2 360.458 0.750 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000378284458 490039995 /nfs/dbraw/zinc/03/99/95/490039995.db2.gz CDRFCDFPVJMINR-CQSZACIVSA-N 2 2 360.458 0.750 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439591162 490043068 /nfs/dbraw/zinc/04/30/68/490043068.db2.gz ZERCUSZJTRQSHW-UHFFFAOYSA-N 2 2 364.494 1.165 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000478855386 490044169 /nfs/dbraw/zinc/04/41/69/490044169.db2.gz FVSOSTRMUHURNA-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000478855386 490044171 /nfs/dbraw/zinc/04/41/71/490044171.db2.gz FVSOSTRMUHURNA-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855386 490044174 /nfs/dbraw/zinc/04/41/74/490044174.db2.gz FVSOSTRMUHURNA-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855386 490044177 /nfs/dbraw/zinc/04/41/77/490044177.db2.gz FVSOSTRMUHURNA-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000378318104 490048238 /nfs/dbraw/zinc/04/82/38/490048238.db2.gz YKWDYGJJKUJEKW-LJQANCHMSA-N 2 2 358.486 0.525 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378318104 490048241 /nfs/dbraw/zinc/04/82/41/490048241.db2.gz YKWDYGJJKUJEKW-LJQANCHMSA-N 2 2 358.486 0.525 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000421192139 490053518 /nfs/dbraw/zinc/05/35/18/490053518.db2.gz AFTIWKQVEJHDAT-JCYILVPMSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205670 490055975 /nfs/dbraw/zinc/05/59/75/490055975.db2.gz SZYQXCMGOPQSKX-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205670 490055978 /nfs/dbraw/zinc/05/59/78/490055978.db2.gz SZYQXCMGOPQSKX-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[C@H]1CCSC1 ZINC000478960433 490056924 /nfs/dbraw/zinc/05/69/24/490056924.db2.gz STQQSXHOKLYKRN-JKSUJKDBSA-N 2 2 357.520 0.373 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[C@H]1CCSC1 ZINC000478960433 490056928 /nfs/dbraw/zinc/05/69/28/490056928.db2.gz STQQSXHOKLYKRN-JKSUJKDBSA-N 2 2 357.520 0.373 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000479068935 490064958 /nfs/dbraw/zinc/06/49/58/490064958.db2.gz XUKVMCHWISQMLS-LSDHHAIUSA-N 2 2 354.520 0.847 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000479068935 490064960 /nfs/dbraw/zinc/06/49/60/490064960.db2.gz XUKVMCHWISQMLS-LSDHHAIUSA-N 2 2 354.520 0.847 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000464900858 490072643 /nfs/dbraw/zinc/07/26/43/490072643.db2.gz ZKJZWHFUHIIMJZ-HZPDHXFCSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000464900858 490072649 /nfs/dbraw/zinc/07/26/49/490072649.db2.gz ZKJZWHFUHIIMJZ-HZPDHXFCSA-N 2 2 359.536 0.875 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491068232 490075152 /nfs/dbraw/zinc/07/51/52/490075152.db2.gz UHOVWZIAFGAHKC-INIZCTEOSA-N 2 2 356.536 0.789 20 0 FCADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C(=O)OC)CCC1 ZINC000378529103 490079971 /nfs/dbraw/zinc/07/99/71/490079971.db2.gz MHZHUSGNECQXEK-JKSUJKDBSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000571282815 491297657 /nfs/dbraw/zinc/29/76/57/491297657.db2.gz YFNOJVNWPQCRGK-KRWDZBQOSA-N 3 2 368.522 0.532 20 0 FCADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000564272407 491297803 /nfs/dbraw/zinc/29/78/03/491297803.db2.gz HGEUPSXITZZQHA-KRWDZBQOSA-N 2 2 369.469 0.735 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC1CCCCCC1 ZINC000378541536 490083964 /nfs/dbraw/zinc/08/39/64/490083964.db2.gz WHCNOBHVIDJVJL-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000495757918 490091472 /nfs/dbraw/zinc/09/14/72/490091472.db2.gz QUNOEHDKCRBWCX-OAGGEKHMSA-N 2 2 359.474 0.610 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000495757918 490091474 /nfs/dbraw/zinc/09/14/74/490091474.db2.gz QUNOEHDKCRBWCX-OAGGEKHMSA-N 2 2 359.474 0.610 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)NCC[NH+]2CCC2)CC1 ZINC000506465470 490095104 /nfs/dbraw/zinc/09/51/04/490095104.db2.gz XPAQAKURNCKQRU-UHFFFAOYSA-N 2 2 360.462 0.288 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000421774682 490106436 /nfs/dbraw/zinc/10/64/36/490106436.db2.gz NFSLFUWNFUNWNU-QGZVFWFLSA-N 2 2 355.442 0.758 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000421774682 490106443 /nfs/dbraw/zinc/10/64/43/490106443.db2.gz NFSLFUWNFUNWNU-QGZVFWFLSA-N 2 2 355.442 0.758 20 0 FCADLP C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000571307653 491299818 /nfs/dbraw/zinc/29/98/18/491299818.db2.gz JEIZLEBVSGACOR-HNNXBMFYSA-N 2 2 362.474 0.315 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000545302161 490113968 /nfs/dbraw/zinc/11/39/68/490113968.db2.gz VIKMIIASPOUNJR-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000520232175 490120176 /nfs/dbraw/zinc/12/01/76/490120176.db2.gz VHLQAXURHLVOEC-KRWDZBQOSA-N 2 2 353.488 0.833 20 0 FCADLP Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(-c2ccccc2)n1C ZINC000479776153 490122655 /nfs/dbraw/zinc/12/26/55/490122655.db2.gz MTYUYFOISMGTDV-OAGGEKHMSA-N 2 2 369.469 0.963 20 0 FCADLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(-c2ccccc2)n1C ZINC000479776153 490122661 /nfs/dbraw/zinc/12/26/61/490122661.db2.gz MTYUYFOISMGTDV-OAGGEKHMSA-N 2 2 369.469 0.963 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN(C)S(=O)(=O)CC)CC2)CC1 ZINC000422024741 490128545 /nfs/dbraw/zinc/12/85/45/490128545.db2.gz QZRLZNXJTGGDGK-UHFFFAOYSA-N 2 2 374.551 0.287 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN(C)S(=O)(=O)CC)CC2)CC1 ZINC000422024741 490128550 /nfs/dbraw/zinc/12/85/50/490128550.db2.gz QZRLZNXJTGGDGK-UHFFFAOYSA-N 2 2 374.551 0.287 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)(C)C ZINC000479881631 490132734 /nfs/dbraw/zinc/13/27/34/490132734.db2.gz BSXXXBVHBAAXBK-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000532891986 490136696 /nfs/dbraw/zinc/13/66/96/490136696.db2.gz FYJHWGIEYSMUGO-HZPDHXFCSA-N 2 2 362.499 0.603 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000532891986 490136702 /nfs/dbraw/zinc/13/67/02/490136702.db2.gz FYJHWGIEYSMUGO-HZPDHXFCSA-N 2 2 362.499 0.603 20 0 FCADLP Cc1nnc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)nc1C ZINC000479904014 490136913 /nfs/dbraw/zinc/13/69/13/490136913.db2.gz TWPYPHFHYRRZIK-UHFFFAOYSA-N 2 2 361.494 0.163 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000422102023 490153277 /nfs/dbraw/zinc/15/32/77/490153277.db2.gz FIQFFSDHKGLKRZ-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000422102023 490153287 /nfs/dbraw/zinc/15/32/87/490153287.db2.gz FIQFFSDHKGLKRZ-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000480060555 490155815 /nfs/dbraw/zinc/15/58/15/490155815.db2.gz ABNLHCAZXKCIHS-OAHLLOKOSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422113654 490165339 /nfs/dbraw/zinc/16/53/39/490165339.db2.gz HZGXECRLYBEJNU-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422113654 490165343 /nfs/dbraw/zinc/16/53/43/490165343.db2.gz HZGXECRLYBEJNU-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497510547 490170502 /nfs/dbraw/zinc/17/05/02/490170502.db2.gz ZJMLZZNGFQAGRD-VNHYZAJKSA-N 2 2 356.829 0.933 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497510547 490170506 /nfs/dbraw/zinc/17/05/06/490170506.db2.gz ZJMLZZNGFQAGRD-VNHYZAJKSA-N 2 2 356.829 0.933 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556297296 491308205 /nfs/dbraw/zinc/30/82/05/491308205.db2.gz AEJWXZVAOGLSPB-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556297296 491308206 /nfs/dbraw/zinc/30/82/06/491308206.db2.gz AEJWXZVAOGLSPB-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)COC)CC2)CC1 ZINC000422269032 490217838 /nfs/dbraw/zinc/21/78/38/490217838.db2.gz LDGVRJUOVPQEIZ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)COC)CC2)CC1 ZINC000422269032 490217845 /nfs/dbraw/zinc/21/78/45/490217845.db2.gz LDGVRJUOVPQEIZ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000521175800 490232173 /nfs/dbraw/zinc/23/21/73/490232173.db2.gz WPUMWBCUSROGIS-IBGZPJMESA-N 2 2 359.518 0.980 20 0 FCADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000521175800 490232176 /nfs/dbraw/zinc/23/21/76/490232176.db2.gz WPUMWBCUSROGIS-IBGZPJMESA-N 2 2 359.518 0.980 20 0 FCADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000521175800 490232177 /nfs/dbraw/zinc/23/21/77/490232177.db2.gz WPUMWBCUSROGIS-IBGZPJMESA-N 2 2 359.518 0.980 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000533446082 490235267 /nfs/dbraw/zinc/23/52/67/490235267.db2.gz ZIBCZMNXUIOAMM-KRWDZBQOSA-N 2 2 365.522 0.855 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000533446082 490235269 /nfs/dbraw/zinc/23/52/69/490235269.db2.gz ZIBCZMNXUIOAMM-KRWDZBQOSA-N 2 2 365.522 0.855 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000422294491 490237281 /nfs/dbraw/zinc/23/72/81/490237281.db2.gz LDQQZNJHMSILLE-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000422294491 490237285 /nfs/dbraw/zinc/23/72/85/490237285.db2.gz LDQQZNJHMSILLE-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000422301072 490244712 /nfs/dbraw/zinc/24/47/12/490244712.db2.gz WFKWXZIWVCYTIK-HRCADAONSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000422301072 490244723 /nfs/dbraw/zinc/24/47/23/490244723.db2.gz WFKWXZIWVCYTIK-HRCADAONSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000467388620 490289106 /nfs/dbraw/zinc/28/91/06/490289106.db2.gz MMYOTZCYJQDDJZ-ZDUSSCGKSA-N 2 2 372.429 0.527 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000498428746 490292868 /nfs/dbraw/zinc/29/28/68/490292868.db2.gz FTNVYYFUDQEDDI-RHSMWYFYSA-N 2 2 362.478 0.912 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000571548783 491315041 /nfs/dbraw/zinc/31/50/41/491315041.db2.gz SKGLZCYJXYEZNY-GJZGRUSLSA-N 2 2 363.462 0.272 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866184 490293412 /nfs/dbraw/zinc/29/34/12/490293412.db2.gz RIDCAYRBJHZASK-WBVHZDCISA-N 2 2 355.442 0.813 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866184 490293420 /nfs/dbraw/zinc/29/34/20/490293420.db2.gz RIDCAYRBJHZASK-WBVHZDCISA-N 2 2 355.442 0.813 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571557759 491315630 /nfs/dbraw/zinc/31/56/30/491315630.db2.gz GEUYKPPMMNYGET-HOTGVXAUSA-N 2 2 353.511 0.555 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571557759 491315633 /nfs/dbraw/zinc/31/56/33/491315633.db2.gz GEUYKPPMMNYGET-HOTGVXAUSA-N 2 2 353.511 0.555 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000521842789 490302085 /nfs/dbraw/zinc/30/20/85/490302085.db2.gz LCZHHIDFFNMQRA-UKRRQHHQSA-N 2 2 363.437 0.605 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000521842789 490302090 /nfs/dbraw/zinc/30/20/90/490302090.db2.gz LCZHHIDFFNMQRA-UKRRQHHQSA-N 2 2 363.437 0.605 20 0 FCADLP C[N@H+](CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000498507959 490304070 /nfs/dbraw/zinc/30/40/70/490304070.db2.gz ZVWGIOQWCGPHRJ-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP C[N@@H+](CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000498507959 490304077 /nfs/dbraw/zinc/30/40/77/490304077.db2.gz ZVWGIOQWCGPHRJ-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)[C@@H]3CCCO3)CC2)CC1 ZINC000447983763 490307023 /nfs/dbraw/zinc/30/70/23/490307023.db2.gz UCBXXOFLZLPPPL-IRXDYDNUSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)n1cc[nH+]c1 ZINC000521891105 490307271 /nfs/dbraw/zinc/30/72/71/490307271.db2.gz WGFDFULECHHIDW-LBPRGKRZSA-N 2 2 351.432 0.710 20 0 FCADLP O=C(C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556517379 491318016 /nfs/dbraw/zinc/31/80/16/491318016.db2.gz BDQCSYSMYPDDJB-RXVVDRJESA-N 2 2 370.497 0.978 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547733443 490348888 /nfs/dbraw/zinc/34/88/88/490348888.db2.gz XGMFAJDCGZPFGS-UHFFFAOYSA-N 2 2 369.506 0.975 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733443 490348890 /nfs/dbraw/zinc/34/88/90/490348890.db2.gz XGMFAJDCGZPFGS-UHFFFAOYSA-N 2 2 369.506 0.975 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000522191763 490351092 /nfs/dbraw/zinc/35/10/92/490351092.db2.gz HCKOYRWJTMVVSO-KRWDZBQOSA-N 2 2 354.520 0.536 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]12CCC(=O)N1CCS2 ZINC000522191763 490351098 /nfs/dbraw/zinc/35/10/98/490351098.db2.gz HCKOYRWJTMVVSO-KRWDZBQOSA-N 2 2 354.520 0.536 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000483901953 490355149 /nfs/dbraw/zinc/35/51/49/490355149.db2.gz ZKYMWLJZEAWERP-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000483901953 490355157 /nfs/dbraw/zinc/35/51/57/490355157.db2.gz ZKYMWLJZEAWERP-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000483901953 490355162 /nfs/dbraw/zinc/35/51/62/490355162.db2.gz ZKYMWLJZEAWERP-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000483901953 490355167 /nfs/dbraw/zinc/35/51/67/490355167.db2.gz ZKYMWLJZEAWERP-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1)CCC2 ZINC000498854961 490355359 /nfs/dbraw/zinc/35/53/59/490355359.db2.gz MZVXXXRTAZUMIN-INIZCTEOSA-N 2 2 359.474 0.953 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1)CCC2 ZINC000498854961 490355362 /nfs/dbraw/zinc/35/53/62/490355362.db2.gz MZVXXXRTAZUMIN-INIZCTEOSA-N 2 2 359.474 0.953 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000508738558 490355556 /nfs/dbraw/zinc/35/55/56/490355556.db2.gz SNUYKLDKSYXHQY-HNNXBMFYSA-N 2 2 358.446 0.838 20 0 FCADLP C[C@H](O)C[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468090417 490365033 /nfs/dbraw/zinc/36/50/33/490365033.db2.gz UTLIYHQVYRDVRJ-MAUKXSAKSA-N 2 2 368.522 0.726 20 0 FCADLP COc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(Cl)cc1C(N)=O ZINC000564715675 491321869 /nfs/dbraw/zinc/32/18/69/491321869.db2.gz YTUVNEBEZYJBGL-SNVBAGLBSA-N 2 2 355.826 0.554 20 0 FCADLP COc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(Cl)cc1C(N)=O ZINC000564715675 491321871 /nfs/dbraw/zinc/32/18/71/491321871.db2.gz YTUVNEBEZYJBGL-SNVBAGLBSA-N 2 2 355.826 0.554 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000411034104 490379814 /nfs/dbraw/zinc/37/98/14/490379814.db2.gz XJGDFCARDKBHDC-INIZCTEOSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000411034104 490379819 /nfs/dbraw/zinc/37/98/19/490379819.db2.gz XJGDFCARDKBHDC-INIZCTEOSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000411034104 490379827 /nfs/dbraw/zinc/37/98/27/490379827.db2.gz XJGDFCARDKBHDC-INIZCTEOSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000411034104 490379833 /nfs/dbraw/zinc/37/98/33/490379833.db2.gz XJGDFCARDKBHDC-INIZCTEOSA-N 2 2 368.522 0.497 20 0 FCADLP CO[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684337 491322930 /nfs/dbraw/zinc/32/29/30/491322930.db2.gz HREGYJZJUKTXBL-HOCLYGCPSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684337 491322931 /nfs/dbraw/zinc/32/29/31/491322931.db2.gz HREGYJZJUKTXBL-HOCLYGCPSA-N 2 2 354.495 0.155 20 0 FCADLP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000468484205 490408134 /nfs/dbraw/zinc/40/81/34/490408134.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000468484205 490408144 /nfs/dbraw/zinc/40/81/44/490408144.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000468484205 490408149 /nfs/dbraw/zinc/40/81/49/490408149.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000468484205 490408159 /nfs/dbraw/zinc/40/81/59/490408159.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000468484205 490408165 /nfs/dbraw/zinc/40/81/65/490408165.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000468484205 490408171 /nfs/dbraw/zinc/40/81/71/490408171.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000468484205 490408177 /nfs/dbraw/zinc/40/81/77/490408177.db2.gz OQJGTTRVSCXXHI-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000449348663 490410782 /nfs/dbraw/zinc/41/07/82/490410782.db2.gz MYBGAIXYZJDCTG-NVXWUHKLSA-N 2 2 350.507 0.683 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340572 490414815 /nfs/dbraw/zinc/41/48/15/490414815.db2.gz HBPZLAUQLGLQDC-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340572 490414818 /nfs/dbraw/zinc/41/48/18/490414818.db2.gz HBPZLAUQLGLQDC-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000422594213 490420087 /nfs/dbraw/zinc/42/00/87/490420087.db2.gz VUDMHMQITAUGFJ-MRXNPFEDSA-N 2 2 360.458 0.495 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)[nH+]c2c1 ZINC000556656531 491325758 /nfs/dbraw/zinc/32/57/58/491325758.db2.gz OGXCTEQTWGEACH-UHFFFAOYSA-N 2 2 373.457 0.174 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]1 ZINC000571744546 491326026 /nfs/dbraw/zinc/32/60/26/491326026.db2.gz VOGSXPQHKZBECS-GOEBONIOSA-N 2 2 351.495 0.370 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000422633592 490436241 /nfs/dbraw/zinc/43/62/41/490436241.db2.gz IODPJAKIBQLIJX-XLAORIBOSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000422633592 490436247 /nfs/dbraw/zinc/43/62/47/490436247.db2.gz IODPJAKIBQLIJX-XLAORIBOSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000422633592 490436253 /nfs/dbraw/zinc/43/62/53/490436253.db2.gz IODPJAKIBQLIJX-XLAORIBOSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000422633592 490436262 /nfs/dbraw/zinc/43/62/62/490436262.db2.gz IODPJAKIBQLIJX-XLAORIBOSA-N 3 2 354.539 0.765 20 0 FCADLP CNc1nc(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]c2ccccc21 ZINC000564787953 491326243 /nfs/dbraw/zinc/32/62/43/491326243.db2.gz TVLXRBWQHVPMJE-CYBMUJFWSA-N 2 2 354.380 0.763 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640516 490439651 /nfs/dbraw/zinc/43/96/51/490439651.db2.gz VRGCNTKDMVSWCG-AGIUHOORSA-N 2 2 351.451 0.841 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640516 490439657 /nfs/dbraw/zinc/43/96/57/490439657.db2.gz VRGCNTKDMVSWCG-AGIUHOORSA-N 2 2 351.451 0.841 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(=O)[nH]c1=O ZINC000422640959 490440191 /nfs/dbraw/zinc/44/01/91/490440191.db2.gz WRKVZHCSRWQEIF-SRVKXCTJSA-N 2 2 351.451 0.429 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(=O)[nH]c1=O ZINC000422640959 490440204 /nfs/dbraw/zinc/44/02/04/490440204.db2.gz WRKVZHCSRWQEIF-SRVKXCTJSA-N 2 2 351.451 0.429 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755788 490471027 /nfs/dbraw/zinc/47/10/27/490471027.db2.gz HBGQHFWDXWAESN-TZMCWYRMSA-N 2 2 361.895 0.975 20 0 FCADLP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000564822573 491329016 /nfs/dbraw/zinc/32/90/16/491329016.db2.gz GWECUKUNMNLSCY-HZPDHXFCSA-N 2 2 359.536 0.936 20 0 FCADLP COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000422769200 490475005 /nfs/dbraw/zinc/47/50/05/490475005.db2.gz VEWBQTMQAATOJL-GOEBONIOSA-N 2 2 371.503 0.468 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000571786065 491329257 /nfs/dbraw/zinc/32/92/57/491329257.db2.gz UVVDSNMVZLPTJL-UHFFFAOYSA-N 2 2 374.485 0.413 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837259 490483696 /nfs/dbraw/zinc/48/36/96/490483696.db2.gz LRUVRSHFTVDYRG-DOTOQJQBSA-N 3 2 354.539 0.970 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C)C1 ZINC000413906580 490510221 /nfs/dbraw/zinc/51/02/21/490510221.db2.gz RWMHTESQNVZHTK-GDBMZVCRSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C)C1 ZINC000413906580 490510229 /nfs/dbraw/zinc/51/02/29/490510229.db2.gz RWMHTESQNVZHTK-GDBMZVCRSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906580 490510237 /nfs/dbraw/zinc/51/02/37/490510237.db2.gz RWMHTESQNVZHTK-GDBMZVCRSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906580 490510240 /nfs/dbraw/zinc/51/02/40/490510240.db2.gz RWMHTESQNVZHTK-GDBMZVCRSA-N 2 2 353.463 0.193 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423012053 490517424 /nfs/dbraw/zinc/51/74/24/490517424.db2.gz CADFGHJNTGVHNF-CQSZACIVSA-N 2 2 350.488 0.603 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+](C)C1 ZINC000413921662 490519630 /nfs/dbraw/zinc/51/96/30/490519630.db2.gz OPTUKASITNTQHF-VQHPVUNQSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+](C)C1 ZINC000413921662 490519636 /nfs/dbraw/zinc/51/96/36/490519636.db2.gz OPTUKASITNTQHF-VQHPVUNQSA-N 2 2 369.506 0.683 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423012825 490519860 /nfs/dbraw/zinc/51/98/60/490519860.db2.gz DPYQYXSEJJZXIN-GOSISDBHSA-N 2 2 362.499 0.604 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C)(C)C(N)=O ZINC000451138406 490520749 /nfs/dbraw/zinc/52/07/49/490520749.db2.gz KVQBFASAAPMJST-UHFFFAOYSA-N 2 2 354.495 0.333 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C)(C)C(N)=O ZINC000451138406 490520759 /nfs/dbraw/zinc/52/07/59/490520759.db2.gz KVQBFASAAPMJST-UHFFFAOYSA-N 2 2 354.495 0.333 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423020397 490521658 /nfs/dbraw/zinc/52/16/58/490521658.db2.gz BGRUUHQNINIWCI-MRXNPFEDSA-N 2 2 360.458 0.017 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423021269 490521773 /nfs/dbraw/zinc/52/17/73/490521773.db2.gz DWMKESQZFGLCLD-WMZOPIPTSA-N 2 2 374.485 0.405 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423030370 490524388 /nfs/dbraw/zinc/52/43/88/490524388.db2.gz BPUDPECHZMVCBO-CALCHBBNSA-N 2 2 358.486 0.582 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000423053046 490529752 /nfs/dbraw/zinc/52/97/52/490529752.db2.gz RWCQPICTZNHVHV-RHSMWYFYSA-N 2 2 362.449 0.666 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000423053046 490529759 /nfs/dbraw/zinc/52/97/59/490529759.db2.gz RWCQPICTZNHVHV-RHSMWYFYSA-N 2 2 362.449 0.666 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)c1 ZINC000485465801 490532040 /nfs/dbraw/zinc/53/20/40/490532040.db2.gz HGVOJGLEGXKDIU-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)c1 ZINC000485465801 490532045 /nfs/dbraw/zinc/53/20/45/490532045.db2.gz HGVOJGLEGXKDIU-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000571865703 491333948 /nfs/dbraw/zinc/33/39/48/491333948.db2.gz ZLOQCDFUAMGBMG-IWCQGFGOSA-N 2 2 366.485 0.972 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000571865703 491333950 /nfs/dbraw/zinc/33/39/50/491333950.db2.gz ZLOQCDFUAMGBMG-IWCQGFGOSA-N 2 2 366.485 0.972 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000564897865 491334557 /nfs/dbraw/zinc/33/45/57/491334557.db2.gz BXMPGFLYGCIGRZ-OAHLLOKOSA-N 2 2 365.865 0.996 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)ccc2n1C ZINC000524767093 490557433 /nfs/dbraw/zinc/55/74/33/490557433.db2.gz SIJQEJMCZUVHQQ-CQSZACIVSA-N 2 2 358.446 0.182 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)ccc2n1C ZINC000524767093 490557436 /nfs/dbraw/zinc/55/74/36/490557436.db2.gz SIJQEJMCZUVHQQ-CQSZACIVSA-N 2 2 358.446 0.182 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000485808496 490560679 /nfs/dbraw/zinc/56/06/79/490560679.db2.gz AHEHILWDRBRSKI-HZPDHXFCSA-N 2 2 364.494 0.679 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000524842796 490564753 /nfs/dbraw/zinc/56/47/53/490564753.db2.gz UWROWZDUVKQZJG-CQSZACIVSA-N 2 2 350.467 0.206 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc2c1OCCO2 ZINC000486021219 490584064 /nfs/dbraw/zinc/58/40/64/490584064.db2.gz SRLVSJUDZLJUNC-HNNXBMFYSA-N 2 2 361.442 0.863 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc2c1OCCO2 ZINC000486021219 490584066 /nfs/dbraw/zinc/58/40/66/490584066.db2.gz SRLVSJUDZLJUNC-HNNXBMFYSA-N 2 2 361.442 0.863 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282706 490605606 /nfs/dbraw/zinc/60/56/06/490605606.db2.gz KSEDLVJSVVNUHE-QAETUUGQSA-N 2 2 368.522 0.163 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282706 490605610 /nfs/dbraw/zinc/60/56/10/490605610.db2.gz KSEDLVJSVVNUHE-QAETUUGQSA-N 2 2 368.522 0.163 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000571949295 491339499 /nfs/dbraw/zinc/33/94/99/491339499.db2.gz OMVQNLNMGNEKPT-UHFFFAOYSA-N 2 2 365.400 0.386 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426030 490623250 /nfs/dbraw/zinc/62/32/50/490623250.db2.gz DNHVQOYSCZIMAU-CVEARBPZSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426030 490623255 /nfs/dbraw/zinc/62/32/55/490623255.db2.gz DNHVQOYSCZIMAU-CVEARBPZSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426030 490623259 /nfs/dbraw/zinc/62/32/59/490623259.db2.gz DNHVQOYSCZIMAU-CVEARBPZSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426030 490623263 /nfs/dbraw/zinc/62/32/63/490623263.db2.gz DNHVQOYSCZIMAU-CVEARBPZSA-N 2 2 374.489 0.160 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc2C1 ZINC000486433336 490624301 /nfs/dbraw/zinc/62/43/01/490624301.db2.gz GWPPRCHMZWOCOV-SFHVURJKSA-N 2 2 356.470 0.468 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc2C1 ZINC000486433336 490624308 /nfs/dbraw/zinc/62/43/08/490624308.db2.gz GWPPRCHMZWOCOV-SFHVURJKSA-N 2 2 356.470 0.468 20 0 FCADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443035 490626245 /nfs/dbraw/zinc/62/62/45/490626245.db2.gz FNDKPUKUOCYKRQ-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443035 490626249 /nfs/dbraw/zinc/62/62/49/490626249.db2.gz FNDKPUKUOCYKRQ-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486442811 490626694 /nfs/dbraw/zinc/62/66/94/490626694.db2.gz QAIMEUCAJLMXDR-SJLPKXTDSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486442811 490626699 /nfs/dbraw/zinc/62/66/99/490626699.db2.gz QAIMEUCAJLMXDR-SJLPKXTDSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634330 490627583 /nfs/dbraw/zinc/62/75/83/490627583.db2.gz CSVRZGWRGBBFFW-DOTOQJQBSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634330 490627588 /nfs/dbraw/zinc/62/75/88/490627588.db2.gz CSVRZGWRGBBFFW-DOTOQJQBSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501634330 490627591 /nfs/dbraw/zinc/62/75/91/490627591.db2.gz CSVRZGWRGBBFFW-DOTOQJQBSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501634330 490627596 /nfs/dbraw/zinc/62/75/96/490627596.db2.gz CSVRZGWRGBBFFW-DOTOQJQBSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448873 490629044 /nfs/dbraw/zinc/62/90/44/490629044.db2.gz SJQGXUABRVJXMQ-HOCLYGCPSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448873 490629050 /nfs/dbraw/zinc/62/90/50/490629050.db2.gz SJQGXUABRVJXMQ-HOCLYGCPSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454854 490630143 /nfs/dbraw/zinc/63/01/43/490630143.db2.gz AWYVQHAMMBBBRK-DZGCQCFKSA-N 2 2 374.441 0.639 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454854 490630147 /nfs/dbraw/zinc/63/01/47/490630147.db2.gz AWYVQHAMMBBBRK-DZGCQCFKSA-N 2 2 374.441 0.639 20 0 FCADLP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458634 490630278 /nfs/dbraw/zinc/63/02/78/490630278.db2.gz SBQYUDKUZDALMN-WBVHZDCISA-N 2 2 372.469 0.697 20 0 FCADLP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000486458634 490630281 /nfs/dbraw/zinc/63/02/81/490630281.db2.gz SBQYUDKUZDALMN-WBVHZDCISA-N 2 2 372.469 0.697 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1cccc(Cl)c1 ZINC000486458266 490630531 /nfs/dbraw/zinc/63/05/31/490630531.db2.gz IHIVSBZMXAWVLH-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1cccc(Cl)c1 ZINC000486458266 490630538 /nfs/dbraw/zinc/63/05/38/490630538.db2.gz IHIVSBZMXAWVLH-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000550150425 490631804 /nfs/dbraw/zinc/63/18/04/490631804.db2.gz LLBOZYKFFWWEQF-HOTGVXAUSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000550150425 490631806 /nfs/dbraw/zinc/63/18/06/490631806.db2.gz LLBOZYKFFWWEQF-HOTGVXAUSA-N 2 2 354.495 0.202 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486462337 490632917 /nfs/dbraw/zinc/63/29/17/490632917.db2.gz QOQKVEFXGHMMPT-MRXNPFEDSA-N 2 2 373.457 0.621 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486462337 490632923 /nfs/dbraw/zinc/63/29/23/490632923.db2.gz QOQKVEFXGHMMPT-MRXNPFEDSA-N 2 2 373.457 0.621 20 0 FCADLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486462921 490634662 /nfs/dbraw/zinc/63/46/62/490634662.db2.gz RGESZERXSAIAED-MRXNPFEDSA-N 2 2 360.458 0.920 20 0 FCADLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486462921 490634666 /nfs/dbraw/zinc/63/46/66/490634666.db2.gz RGESZERXSAIAED-MRXNPFEDSA-N 2 2 360.458 0.920 20 0 FCADLP CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486467488 490634761 /nfs/dbraw/zinc/63/47/61/490634761.db2.gz ZIFMZSSPNZZTBV-AWEZNQCLSA-N 2 2 350.488 0.603 20 0 FCADLP CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486467488 490634768 /nfs/dbraw/zinc/63/47/68/490634768.db2.gz ZIFMZSSPNZZTBV-AWEZNQCLSA-N 2 2 350.488 0.603 20 0 FCADLP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486462993 490635714 /nfs/dbraw/zinc/63/57/14/490635714.db2.gz RVZIPUOMXFFZRD-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486462993 490635715 /nfs/dbraw/zinc/63/57/15/490635715.db2.gz RVZIPUOMXFFZRD-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486475702 490637031 /nfs/dbraw/zinc/63/70/31/490637031.db2.gz ZFCLZANNPLJNPE-QGZVFWFLSA-N 2 2 373.457 0.480 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486475702 490637037 /nfs/dbraw/zinc/63/70/37/490637037.db2.gz ZFCLZANNPLJNPE-QGZVFWFLSA-N 2 2 373.457 0.480 20 0 FCADLP CC(C)C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000501801903 490642082 /nfs/dbraw/zinc/64/20/82/490642082.db2.gz GVJBZGQGBJOHSL-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000550211833 490642852 /nfs/dbraw/zinc/64/28/52/490642852.db2.gz MOCHGUCVRAHLOR-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000537085186 490645989 /nfs/dbraw/zinc/64/59/89/490645989.db2.gz OKZZYELCHXOCHH-UHFFFAOYSA-N 2 2 350.467 0.552 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000550278220 490650752 /nfs/dbraw/zinc/65/07/52/490650752.db2.gz GYCMMNFIJATZDN-KRWDZBQOSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCOCC1 ZINC000550276571 490651598 /nfs/dbraw/zinc/65/15/98/490651598.db2.gz MNAJOCXURDWDEC-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CCN1CCOC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000537168379 490656114 /nfs/dbraw/zinc/65/61/14/490656114.db2.gz NCFQFKULCGTLOF-WFFDWFOESA-N 2 2 350.507 0.477 20 0 FCADLP CCN1CCOC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000537168379 490656119 /nfs/dbraw/zinc/65/61/19/490656119.db2.gz NCFQFKULCGTLOF-WFFDWFOESA-N 2 2 350.507 0.477 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000537168379 490656124 /nfs/dbraw/zinc/65/61/24/490656124.db2.gz NCFQFKULCGTLOF-WFFDWFOESA-N 2 2 350.507 0.477 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000537168379 490656126 /nfs/dbraw/zinc/65/61/26/490656126.db2.gz NCFQFKULCGTLOF-WFFDWFOESA-N 2 2 350.507 0.477 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000537168379 490656130 /nfs/dbraw/zinc/65/61/30/490656130.db2.gz NCFQFKULCGTLOF-WFFDWFOESA-N 2 2 350.507 0.477 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000537168379 490656136 /nfs/dbraw/zinc/65/61/36/490656136.db2.gz NCFQFKULCGTLOF-WFFDWFOESA-N 2 2 350.507 0.477 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000537178501 490657297 /nfs/dbraw/zinc/65/72/97/490657297.db2.gz KVRXXMPEFOETNP-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000537178501 490657305 /nfs/dbraw/zinc/65/73/05/490657305.db2.gz KVRXXMPEFOETNP-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000537178501 490657307 /nfs/dbraw/zinc/65/73/07/490657307.db2.gz KVRXXMPEFOETNP-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP C[N@H+]1CC=C(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000537281508 490665717 /nfs/dbraw/zinc/66/57/17/490665717.db2.gz ICPYGXXGEXAKCI-UHFFFAOYSA-N 2 2 359.478 0.160 20 0 FCADLP C[N@@H+]1CC=C(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000537281508 490665722 /nfs/dbraw/zinc/66/57/22/490665722.db2.gz ICPYGXXGEXAKCI-UHFFFAOYSA-N 2 2 359.478 0.160 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000564987672 491344088 /nfs/dbraw/zinc/34/40/88/491344088.db2.gz DVFOUNLDHXQZQD-TUKIKUTGSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000564987672 491344090 /nfs/dbraw/zinc/34/40/90/491344090.db2.gz DVFOUNLDHXQZQD-TUKIKUTGSA-N 2 2 352.460 0.332 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC2 ZINC000556974812 491345582 /nfs/dbraw/zinc/34/55/82/491345582.db2.gz KUQLDZZOYVWLSX-HOTGVXAUSA-N 2 2 363.458 0.195 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC2 ZINC000556974812 491345584 /nfs/dbraw/zinc/34/55/84/491345584.db2.gz KUQLDZZOYVWLSX-HOTGVXAUSA-N 2 2 363.458 0.195 20 0 FCADLP CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512583511 490688879 /nfs/dbraw/zinc/68/88/79/490688879.db2.gz STNLAXRZIQHOEE-SJPCQFCGSA-N 2 2 352.523 0.770 20 0 FCADLP CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512583511 490688881 /nfs/dbraw/zinc/68/88/81/490688881.db2.gz STNLAXRZIQHOEE-SJPCQFCGSA-N 2 2 352.523 0.770 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCO1 ZINC000527077618 490696800 /nfs/dbraw/zinc/69/68/00/490696800.db2.gz WQTTUXYTTRAMGK-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCO1 ZINC000527077618 490696803 /nfs/dbraw/zinc/69/68/03/490696803.db2.gz WQTTUXYTTRAMGK-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000537863138 490700467 /nfs/dbraw/zinc/70/04/67/490700467.db2.gz NCHATBONCIOECT-UHFFFAOYSA-N 2 2 362.478 0.513 20 0 FCADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000537863138 490700469 /nfs/dbraw/zinc/70/04/69/490700469.db2.gz NCHATBONCIOECT-UHFFFAOYSA-N 2 2 362.478 0.513 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502515101 490707882 /nfs/dbraw/zinc/70/78/82/490707882.db2.gz AMYPQFZVGBWCHK-IRXDYDNUSA-N 2 2 369.506 0.972 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502515101 490707884 /nfs/dbraw/zinc/70/78/84/490707884.db2.gz AMYPQFZVGBWCHK-IRXDYDNUSA-N 2 2 369.506 0.972 20 0 FCADLP CC(C)[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000487465221 490714168 /nfs/dbraw/zinc/71/41/68/490714168.db2.gz BREUIQHHFXINRQ-GOSISDBHSA-N 2 2 369.554 0.358 20 0 FCADLP CC(C)[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000487465221 490714172 /nfs/dbraw/zinc/71/41/72/490714172.db2.gz BREUIQHHFXINRQ-GOSISDBHSA-N 2 2 369.554 0.358 20 0 FCADLP C[N@H+](CCNC(=O)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1)Cc1ccccc1 ZINC000538149056 490716609 /nfs/dbraw/zinc/71/66/09/490716609.db2.gz HATTZUABQRYOAH-UHFFFAOYSA-N 2 2 372.473 0.971 20 0 FCADLP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1)Cc1ccccc1 ZINC000538149056 490716611 /nfs/dbraw/zinc/71/66/11/490716611.db2.gz HATTZUABQRYOAH-UHFFFAOYSA-N 2 2 372.473 0.971 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000502752015 490719715 /nfs/dbraw/zinc/71/97/15/490719715.db2.gz XUGQVSZJGCUMCI-UHFFFAOYSA-N 2 2 364.494 0.738 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000538281875 490724132 /nfs/dbraw/zinc/72/41/32/490724132.db2.gz VDZZVBQMCJVHOW-KRWDZBQOSA-N 2 2 364.494 0.130 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538328038 490726502 /nfs/dbraw/zinc/72/65/02/490726502.db2.gz IOGOELVZZRNROF-INIZCTEOSA-N 2 2 368.503 0.550 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144614 491351712 /nfs/dbraw/zinc/35/17/12/491351712.db2.gz JBILRECPJVWWRJ-KFKAGJAMSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144614 491351713 /nfs/dbraw/zinc/35/17/13/491351713.db2.gz JBILRECPJVWWRJ-KFKAGJAMSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572144614 491351714 /nfs/dbraw/zinc/35/17/14/491351714.db2.gz JBILRECPJVWWRJ-KFKAGJAMSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572144614 491351715 /nfs/dbraw/zinc/35/17/15/491351715.db2.gz JBILRECPJVWWRJ-KFKAGJAMSA-N 2 2 358.486 0.976 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565093472 491352653 /nfs/dbraw/zinc/35/26/53/491352653.db2.gz RSCIPIYDQIVUTF-OALUTQOASA-N 2 2 374.485 0.520 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CSCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC[NH+]1C ZINC000538922237 490757586 /nfs/dbraw/zinc/75/75/86/490757586.db2.gz NXIQGQWGTIYAMZ-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CSCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC[NH+]1C ZINC000538922237 490757589 /nfs/dbraw/zinc/75/75/89/490757589.db2.gz NXIQGQWGTIYAMZ-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CSCC(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000538922237 490757591 /nfs/dbraw/zinc/75/75/91/490757591.db2.gz NXIQGQWGTIYAMZ-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CSCC(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@H+]1C ZINC000538922237 490757595 /nfs/dbraw/zinc/75/75/95/490757595.db2.gz NXIQGQWGTIYAMZ-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000503526455 490761152 /nfs/dbraw/zinc/76/11/52/490761152.db2.gz OXBAMBCCNWGPBL-CQSZACIVSA-N 2 2 353.488 0.703 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000503526455 490761157 /nfs/dbraw/zinc/76/11/57/490761157.db2.gz OXBAMBCCNWGPBL-CQSZACIVSA-N 2 2 353.488 0.703 20 0 FCADLP CNC(=O)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488519146 490763138 /nfs/dbraw/zinc/76/31/38/490763138.db2.gz YSOJZYHYBFBIQU-HNNXBMFYSA-N 2 2 362.474 0.201 20 0 FCADLP CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488519146 490763139 /nfs/dbraw/zinc/76/31/39/490763139.db2.gz YSOJZYHYBFBIQU-HNNXBMFYSA-N 2 2 362.474 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539147985 490765204 /nfs/dbraw/zinc/76/52/04/490765204.db2.gz SOAQTIQSTFDNFF-CALCHBBNSA-N 2 2 371.522 0.729 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539147985 490765205 /nfs/dbraw/zinc/76/52/05/490765205.db2.gz SOAQTIQSTFDNFF-CALCHBBNSA-N 2 2 371.522 0.729 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C(=O)NCC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000514673132 490780487 /nfs/dbraw/zinc/78/04/87/490780487.db2.gz POQDMEQEUQASHW-OAHLLOKOSA-N 2 2 359.474 0.900 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000514681977 490781921 /nfs/dbraw/zinc/78/19/21/490781921.db2.gz CNQJWVKIDZYWOO-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000514681977 490781923 /nfs/dbraw/zinc/78/19/23/490781923.db2.gz CNQJWVKIDZYWOO-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)cc1 ZINC000528176011 490782418 /nfs/dbraw/zinc/78/24/18/490782418.db2.gz FIYDQTJDZFNLDW-QRQLOZEOSA-N 2 2 374.485 0.994 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)cc1 ZINC000528176011 490782421 /nfs/dbraw/zinc/78/24/21/490782421.db2.gz FIYDQTJDZFNLDW-QRQLOZEOSA-N 2 2 374.485 0.994 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000528176011 490782425 /nfs/dbraw/zinc/78/24/25/490782425.db2.gz FIYDQTJDZFNLDW-QRQLOZEOSA-N 2 2 374.485 0.994 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000528176011 490782429 /nfs/dbraw/zinc/78/24/29/490782429.db2.gz FIYDQTJDZFNLDW-QRQLOZEOSA-N 2 2 374.485 0.994 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000514903014 490796922 /nfs/dbraw/zinc/79/69/22/490796922.db2.gz HSBZOQCLKGSRDY-IRXDYDNUSA-N 2 2 365.522 0.617 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000514903014 490796926 /nfs/dbraw/zinc/79/69/26/490796926.db2.gz HSBZOQCLKGSRDY-IRXDYDNUSA-N 2 2 365.522 0.617 20 0 FCADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000565152605 491356533 /nfs/dbraw/zinc/35/65/33/491356533.db2.gz GVAGBKVVKHCSJB-SFHVURJKSA-N 2 2 351.491 0.811 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229792 490810541 /nfs/dbraw/zinc/81/05/41/490810541.db2.gz NOOWNNUZPPUUGM-SOLBZPMBSA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229792 490810544 /nfs/dbraw/zinc/81/05/44/490810544.db2.gz NOOWNNUZPPUUGM-SOLBZPMBSA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229792 490810548 /nfs/dbraw/zinc/81/05/48/490810548.db2.gz NOOWNNUZPPUUGM-SOLBZPMBSA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229792 490810550 /nfs/dbraw/zinc/81/05/50/490810550.db2.gz NOOWNNUZPPUUGM-SOLBZPMBSA-N 2 2 369.506 0.434 20 0 FCADLP C[N@H+](CCc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)c1)C1CC1 ZINC000540372713 490820016 /nfs/dbraw/zinc/82/00/16/490820016.db2.gz LRKBTVHAKTZFEV-GOSISDBHSA-N 2 2 374.485 0.709 20 0 FCADLP C[N@@H+](CCc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)c1)C1CC1 ZINC000540372713 490820019 /nfs/dbraw/zinc/82/00/19/490820019.db2.gz LRKBTVHAKTZFEV-GOSISDBHSA-N 2 2 374.485 0.709 20 0 FCADLP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1)C1CC1 ZINC000540372713 490820021 /nfs/dbraw/zinc/82/00/21/490820021.db2.gz LRKBTVHAKTZFEV-GOSISDBHSA-N 2 2 374.485 0.709 20 0 FCADLP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1)C1CC1 ZINC000540372713 490820023 /nfs/dbraw/zinc/82/00/23/490820023.db2.gz LRKBTVHAKTZFEV-GOSISDBHSA-N 2 2 374.485 0.709 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000515378936 490822579 /nfs/dbraw/zinc/82/25/79/490822579.db2.gz AWIAOYCARNEZOG-OAHLLOKOSA-N 2 2 371.445 0.192 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000505579482 490833872 /nfs/dbraw/zinc/83/38/72/490833872.db2.gz ROXYAYCMIIJEIO-KRWDZBQOSA-N 2 2 372.535 0.216 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000557193853 491358837 /nfs/dbraw/zinc/35/88/37/491358837.db2.gz SAIOFCULGLVUHV-BBWFWOEESA-N 3 2 355.527 0.408 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000557193853 491358840 /nfs/dbraw/zinc/35/88/40/491358840.db2.gz SAIOFCULGLVUHV-BBWFWOEESA-N 3 2 355.527 0.408 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000557228874 491360705 /nfs/dbraw/zinc/36/07/05/491360705.db2.gz UBCCRBSYLCWSOQ-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702207 490836318 /nfs/dbraw/zinc/83/63/18/490836318.db2.gz AFSOCCXWQZQFNV-WMZOPIPTSA-N 2 2 363.458 0.132 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702207 490836320 /nfs/dbraw/zinc/83/63/20/490836320.db2.gz AFSOCCXWQZQFNV-WMZOPIPTSA-N 2 2 363.458 0.132 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000540884864 490838488 /nfs/dbraw/zinc/83/84/88/490838488.db2.gz FFHSSYOWBMBITG-UHFFFAOYSA-N 2 2 373.505 0.792 20 0 FCADLP CCN1CC[NH+](CCCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000540884864 490838490 /nfs/dbraw/zinc/83/84/90/490838490.db2.gz FFHSSYOWBMBITG-UHFFFAOYSA-N 2 2 373.505 0.792 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000557241452 491361232 /nfs/dbraw/zinc/36/12/32/491361232.db2.gz GPCOQRQHVPCXIG-IHRRRGAJSA-N 2 2 374.411 0.629 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000557241452 491361235 /nfs/dbraw/zinc/36/12/35/491361235.db2.gz GPCOQRQHVPCXIG-IHRRRGAJSA-N 2 2 374.411 0.629 20 0 FCADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000529314992 490850256 /nfs/dbraw/zinc/85/02/56/490850256.db2.gz KRECDBGLKTZGDG-JQHSSLGASA-N 2 2 362.474 0.564 20 0 FCADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000529314992 490850259 /nfs/dbraw/zinc/85/02/59/490850259.db2.gz KRECDBGLKTZGDG-JQHSSLGASA-N 2 2 362.474 0.564 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CCOCC1 ZINC000529331622 490853949 /nfs/dbraw/zinc/85/39/49/490853949.db2.gz SVZKWOPCIWZHIF-CABCVRRESA-N 2 2 351.451 0.658 20 0 FCADLP CC(=O)NC1CCC([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000541317359 490858000 /nfs/dbraw/zinc/85/80/00/490858000.db2.gz MXEITVLRDGCHLW-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP CC(=O)NC1CCC([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000541317359 490858003 /nfs/dbraw/zinc/85/80/03/490858003.db2.gz MXEITVLRDGCHLW-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CCC(C)([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000529664582 490864605 /nfs/dbraw/zinc/86/46/05/490864605.db2.gz RPZUFTODLRZCTO-UHFFFAOYSA-N 2 2 374.533 0.915 20 0 FCADLP COCCOc1cc2c(cc1C[N@@H+]1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)OCO2 ZINC000565233085 491362378 /nfs/dbraw/zinc/36/23/78/491362378.db2.gz IXCSYHKSNJGZAV-ZIAGYGMSSA-N 2 2 363.414 0.184 20 0 FCADLP COCCOc1cc2c(cc1C[N@H+]1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)OCO2 ZINC000565233085 491362380 /nfs/dbraw/zinc/36/23/80/491362380.db2.gz IXCSYHKSNJGZAV-ZIAGYGMSSA-N 2 2 363.414 0.184 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000516562188 490868091 /nfs/dbraw/zinc/86/80/91/490868091.db2.gz DFTGEZMFJHRWSM-SQNIBIBYSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000516562188 490868092 /nfs/dbraw/zinc/86/80/92/490868092.db2.gz DFTGEZMFJHRWSM-SQNIBIBYSA-N 2 2 356.470 0.712 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000516562229 490868143 /nfs/dbraw/zinc/86/81/43/490868143.db2.gz MLUIDTJETWQNCT-HNNXBMFYSA-N 2 2 364.515 0.980 20 0 FCADLP C[C@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1[NH+](C)C ZINC000541755270 490870959 /nfs/dbraw/zinc/87/09/59/490870959.db2.gz KVRLYFYOBYMGPZ-WMLDXEAASA-N 2 2 374.489 0.883 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@H+]1C)CC2 ZINC000529751880 490872985 /nfs/dbraw/zinc/87/29/85/490872985.db2.gz IUMPVZGASWFIAQ-BEFAXECRSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@@H+]1C)CC2 ZINC000529751880 490872987 /nfs/dbraw/zinc/87/29/87/490872987.db2.gz IUMPVZGASWFIAQ-BEFAXECRSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCOCC2)c1 ZINC000516747868 490876420 /nfs/dbraw/zinc/87/64/20/490876420.db2.gz YOQFIONRSVUONK-QZTJIDSGSA-N 2 2 362.474 0.656 20 0 FCADLP COC(=O)C1CC[NH+](CC2(C[NH+]3CCC(C(=O)OC)CC3)COC2)CC1 ZINC000542001920 490881966 /nfs/dbraw/zinc/88/19/66/490881966.db2.gz VSKFYCCDGIMWMH-UHFFFAOYSA-N 2 2 368.474 0.773 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123382 490886868 /nfs/dbraw/zinc/88/68/68/490886868.db2.gz OWRFDVMBQFQAFY-CABCVRRESA-N 2 2 362.478 0.647 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123382 490886869 /nfs/dbraw/zinc/88/68/69/490886869.db2.gz OWRFDVMBQFQAFY-CABCVRRESA-N 2 2 362.478 0.647 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000542155646 490887842 /nfs/dbraw/zinc/88/78/42/490887842.db2.gz JDLONYTZLBBQOU-WBVHZDCISA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000542155646 490887845 /nfs/dbraw/zinc/88/78/45/490887845.db2.gz JDLONYTZLBBQOU-WBVHZDCISA-N 2 2 369.506 0.877 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000516965473 490888060 /nfs/dbraw/zinc/88/80/60/490888060.db2.gz WPGUGIVYRDTARO-ZDUSSCGKSA-N 2 2 372.420 0.582 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000517140571 490896233 /nfs/dbraw/zinc/89/62/33/490896233.db2.gz RVWCQURUWQCUKW-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000517140571 490896235 /nfs/dbraw/zinc/89/62/35/490896235.db2.gz RVWCQURUWQCUKW-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000542594633 490901237 /nfs/dbraw/zinc/90/12/37/490901237.db2.gz GDNGPGUJQCKABT-UYAOXDASSA-N 2 2 373.545 0.727 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000530375026 490902277 /nfs/dbraw/zinc/90/22/77/490902277.db2.gz YJISYOXNIBQFGS-UHFFFAOYSA-N 2 2 369.535 0.920 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000572283983 491360637 /nfs/dbraw/zinc/36/06/37/491360637.db2.gz LWHJCFVGRHZUGR-INIZCTEOSA-N 2 2 357.414 0.630 20 0 FCADLP Cn1ccc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000517537227 490911073 /nfs/dbraw/zinc/91/10/73/490911073.db2.gz MFZFZDJQYHCIAJ-UHFFFAOYSA-N 2 2 364.475 0.057 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000530566349 490912977 /nfs/dbraw/zinc/91/29/77/490912977.db2.gz DXUMRFWEFJOKKX-GOSISDBHSA-N 2 2 361.442 0.433 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000530566349 490912980 /nfs/dbraw/zinc/91/29/80/490912980.db2.gz DXUMRFWEFJOKKX-GOSISDBHSA-N 2 2 361.442 0.433 20 0 FCADLP O=C(N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530575647 490913543 /nfs/dbraw/zinc/91/35/43/490913543.db2.gz RWAUWLMVSGWICN-FQEVSTJZSA-N 2 2 369.469 0.691 20 0 FCADLP O=C(N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530575647 490913545 /nfs/dbraw/zinc/91/35/45/490913545.db2.gz RWAUWLMVSGWICN-FQEVSTJZSA-N 2 2 369.469 0.691 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000530577015 490914266 /nfs/dbraw/zinc/91/42/66/490914266.db2.gz MAYJNIJHJMKKLR-GOSISDBHSA-N 2 2 351.539 0.252 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)ccc2n1C ZINC000530681037 490919001 /nfs/dbraw/zinc/91/90/01/490919001.db2.gz KPSYIESSOGHODS-UHFFFAOYSA-N 2 2 373.457 0.735 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958003 490926157 /nfs/dbraw/zinc/92/61/57/490926157.db2.gz YHYHZAACNWUQJS-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958003 490926159 /nfs/dbraw/zinc/92/61/59/490926159.db2.gz YHYHZAACNWUQJS-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958003 490926162 /nfs/dbraw/zinc/92/61/62/490926162.db2.gz YHYHZAACNWUQJS-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958003 490926165 /nfs/dbraw/zinc/92/61/65/490926165.db2.gz YHYHZAACNWUQJS-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)C2)nn1 ZINC000557295925 491365904 /nfs/dbraw/zinc/36/59/04/491365904.db2.gz VPHWTRIPOABBKM-BDXSIMOUSA-N 2 2 363.506 0.814 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000518745070 490950158 /nfs/dbraw/zinc/95/01/58/490950158.db2.gz YELFVOCWQTUIPJ-KBPBESRZSA-N 2 2 359.474 0.919 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000518745070 490950159 /nfs/dbraw/zinc/95/01/59/490950159.db2.gz YELFVOCWQTUIPJ-KBPBESRZSA-N 2 2 359.474 0.919 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000572383115 491366500 /nfs/dbraw/zinc/36/65/00/491366500.db2.gz UQXSDIMHQQXDDJ-WBVHZDCISA-N 2 2 362.474 0.242 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000572383115 491366503 /nfs/dbraw/zinc/36/65/03/491366503.db2.gz UQXSDIMHQQXDDJ-WBVHZDCISA-N 2 2 362.474 0.242 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@H+](C)CC1 ZINC000519033546 490959805 /nfs/dbraw/zinc/95/98/05/490959805.db2.gz SKVSPJJEKRAETD-WMLDXEAASA-N 2 2 358.442 0.828 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000519033546 490959808 /nfs/dbraw/zinc/95/98/08/490959808.db2.gz SKVSPJJEKRAETD-WMLDXEAASA-N 2 2 358.442 0.828 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000519236605 490966265 /nfs/dbraw/zinc/96/62/65/490966265.db2.gz LAZYHMDCPRJUPH-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000519236605 490966269 /nfs/dbraw/zinc/96/62/69/490966269.db2.gz LAZYHMDCPRJUPH-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP CN(C(=O)[C@@]1(C)CCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000544491681 490969733 /nfs/dbraw/zinc/96/97/33/490969733.db2.gz TWNWQMGWIJRZGE-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531663813 490970366 /nfs/dbraw/zinc/97/03/66/490970366.db2.gz XLHQFPXRCXXAHC-JKSUJKDBSA-N 2 2 356.536 0.978 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000519432500 490972285 /nfs/dbraw/zinc/97/22/85/490972285.db2.gz RYQKVEKLWXBXSB-HZPDHXFCSA-N 2 2 355.442 0.733 20 0 FCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000572400003 491367547 /nfs/dbraw/zinc/36/75/47/491367547.db2.gz KSYKMSDFUXGRNV-JKSUJKDBSA-N 2 2 359.474 0.788 20 0 FCADLP C[NH+]1CCC(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000544590690 490972949 /nfs/dbraw/zinc/97/29/49/490972949.db2.gz RUWADKIVEYILDW-UHFFFAOYSA-N 2 2 374.489 0.933 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000544667097 490975272 /nfs/dbraw/zinc/97/52/72/490975272.db2.gz FGEFFYQSDFORJZ-UHFFFAOYSA-N 2 2 373.501 0.798 20 0 FCADLP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000519651103 490981953 /nfs/dbraw/zinc/98/19/53/490981953.db2.gz WNLUEAAPQMLDHB-MRXNPFEDSA-N 2 2 358.508 0.725 20 0 FCADLP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000519651103 490981954 /nfs/dbraw/zinc/98/19/54/490981954.db2.gz WNLUEAAPQMLDHB-MRXNPFEDSA-N 2 2 358.508 0.725 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000532027167 490983574 /nfs/dbraw/zinc/98/35/74/490983574.db2.gz JPPRPGPTVCACBU-PVAVHDDUSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000532027167 490983575 /nfs/dbraw/zinc/98/35/75/490983575.db2.gz JPPRPGPTVCACBU-PVAVHDDUSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000532214941 490989508 /nfs/dbraw/zinc/98/95/08/490989508.db2.gz KYBZDAOKMFSGSY-KRWDZBQOSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000532214941 490989509 /nfs/dbraw/zinc/98/95/09/490989509.db2.gz KYBZDAOKMFSGSY-KRWDZBQOSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532429406 490992987 /nfs/dbraw/zinc/99/29/87/490992987.db2.gz VIFIYXACBRNYHU-ZACQAIPSSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532429406 490992988 /nfs/dbraw/zinc/99/29/88/490992988.db2.gz VIFIYXACBRNYHU-ZACQAIPSSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612482889 491924094 /nfs/dbraw/zinc/92/40/94/491924094.db2.gz SEMQEMXWFIJPTR-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)(CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660216222 493334732 /nfs/dbraw/zinc/33/47/32/493334732.db2.gz QAHWNWARKNTWCP-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000569529930 491166232 /nfs/dbraw/zinc/16/62/32/491166232.db2.gz CIIWCSAZWMLYLB-HZPDHXFCSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000562446846 491166723 /nfs/dbraw/zinc/16/67/23/491166723.db2.gz FTMDCVWUSRCRPK-IYBDPMFKSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000562446846 491166724 /nfs/dbraw/zinc/16/67/24/491166724.db2.gz FTMDCVWUSRCRPK-IYBDPMFKSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720894 491185794 /nfs/dbraw/zinc/18/57/94/491185794.db2.gz UOMMUBDEGKHVCZ-GDBMZVCRSA-N 2 2 367.519 0.396 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720894 491185796 /nfs/dbraw/zinc/18/57/96/491185796.db2.gz UOMMUBDEGKHVCZ-GDBMZVCRSA-N 2 2 367.519 0.396 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000557336405 491368567 /nfs/dbraw/zinc/36/85/67/491368567.db2.gz RESCEKOEGGJPRR-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000557336405 491368569 /nfs/dbraw/zinc/36/85/69/491368569.db2.gz RESCEKOEGGJPRR-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000557336405 491368571 /nfs/dbraw/zinc/36/85/71/491368571.db2.gz RESCEKOEGGJPRR-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000557336405 491368574 /nfs/dbraw/zinc/36/85/74/491368574.db2.gz RESCEKOEGGJPRR-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000557345849 491369007 /nfs/dbraw/zinc/36/90/07/491369007.db2.gz SCXFURPSSGMKMG-ZIAGYGMSSA-N 2 2 359.434 0.016 20 0 FCADLP COc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1OC ZINC000565352756 491371082 /nfs/dbraw/zinc/37/10/82/491371082.db2.gz WPAOPLLKLBZYOH-CYBMUJFWSA-N 2 2 352.435 0.497 20 0 FCADLP COc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1OC ZINC000565352756 491371084 /nfs/dbraw/zinc/37/10/84/491371084.db2.gz WPAOPLLKLBZYOH-CYBMUJFWSA-N 2 2 352.435 0.497 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000572546379 491377812 /nfs/dbraw/zinc/37/78/12/491377812.db2.gz YNVDLBSDLQVRMC-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000572546379 491377813 /nfs/dbraw/zinc/37/78/13/491377813.db2.gz YNVDLBSDLQVRMC-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000565561015 491385140 /nfs/dbraw/zinc/38/51/40/491385140.db2.gz QLBDPHGLOHJOBB-OAHLLOKOSA-N 2 2 370.563 0.873 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514002 493338835 /nfs/dbraw/zinc/33/88/35/493338835.db2.gz DZJBFDTXFOMMNL-OKZBNKHCSA-N 2 2 353.507 0.791 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514002 493338837 /nfs/dbraw/zinc/33/88/37/493338837.db2.gz DZJBFDTXFOMMNL-OKZBNKHCSA-N 2 2 353.507 0.791 20 0 FCADLP CC(C)[C@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000557597954 491386499 /nfs/dbraw/zinc/38/64/99/491386499.db2.gz OOXODYNPQABHFC-MRXNPFEDSA-N 2 2 364.494 1.019 20 0 FCADLP CC(C)[C@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000557597954 491386501 /nfs/dbraw/zinc/38/65/01/491386501.db2.gz OOXODYNPQABHFC-MRXNPFEDSA-N 2 2 364.494 1.019 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)C[C@H](C)O1 ZINC000572763377 491392148 /nfs/dbraw/zinc/39/21/48/491392148.db2.gz WTCURRDBFBQHEV-QSJFSLAZSA-N 2 2 371.909 0.946 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)C[C@H](C)O1 ZINC000572763377 491392150 /nfs/dbraw/zinc/39/21/50/491392150.db2.gz WTCURRDBFBQHEV-QSJFSLAZSA-N 2 2 371.909 0.946 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000557705663 491392333 /nfs/dbraw/zinc/39/23/33/491392333.db2.gz QEYPNKVGAFBDLZ-JKSUJKDBSA-N 2 2 356.511 0.258 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000565721979 491395661 /nfs/dbraw/zinc/39/56/61/491395661.db2.gz BBDWGDOZDSBDBF-UHFFFAOYSA-N 2 2 359.474 0.885 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000572990498 491405980 /nfs/dbraw/zinc/40/59/80/491405980.db2.gz CGXANMPRIDOUGI-INDMIFKZSA-N 3 2 364.534 0.820 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000565892016 491406074 /nfs/dbraw/zinc/40/60/74/491406074.db2.gz GOBZXEQQMWLLML-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP O=C(CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[NH2+]CC1 ZINC000572999519 491406618 /nfs/dbraw/zinc/40/66/18/491406618.db2.gz DOYFUPYGAWQHBW-KRWDZBQOSA-N 2 2 362.499 0.325 20 0 FCADLP O=C(CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[NH2+]CC1 ZINC000572999520 491406778 /nfs/dbraw/zinc/40/67/78/491406778.db2.gz DOYFUPYGAWQHBW-QGZVFWFLSA-N 2 2 362.499 0.325 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000565913020 491407252 /nfs/dbraw/zinc/40/72/52/491407252.db2.gz RVSZOEVSMJUQLE-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000565913020 491407254 /nfs/dbraw/zinc/40/72/54/491407254.db2.gz RVSZOEVSMJUQLE-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CCN2C1=O ZINC000573023113 491408170 /nfs/dbraw/zinc/40/81/70/491408170.db2.gz YBGKWVPDDQSBMJ-IRXDYDNUSA-N 2 2 368.441 0.385 20 0 FCADLP CSC1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+](C)CC1 ZINC000565995686 491411238 /nfs/dbraw/zinc/41/12/38/491411238.db2.gz GDSCPDGAXQVKLP-GASCZTMLSA-N 2 2 356.536 0.976 20 0 FCADLP CSC1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+](C)CC1 ZINC000565995686 491411241 /nfs/dbraw/zinc/41/12/41/491411241.db2.gz GDSCPDGAXQVKLP-GASCZTMLSA-N 2 2 356.536 0.976 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000565999109 491411344 /nfs/dbraw/zinc/41/13/44/491411344.db2.gz LKXFCPHJTQNJFT-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000565999109 491411346 /nfs/dbraw/zinc/41/13/46/491411346.db2.gz LKXFCPHJTQNJFT-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099180 491412607 /nfs/dbraw/zinc/41/26/07/491412607.db2.gz QGIBDNBGUOUDRY-RDTXWAMCSA-N 2 2 373.501 0.537 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)[NH+]1CCOCC1 ZINC000566018408 491412868 /nfs/dbraw/zinc/41/28/68/491412868.db2.gz CSUXDCDGVQPPQG-BZSNNMDCSA-N 2 2 352.523 0.724 20 0 FCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000566067304 491415155 /nfs/dbraw/zinc/41/51/55/491415155.db2.gz UTBMRMOWGZJGSV-OAHLLOKOSA-N 2 2 366.487 0.114 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573197560 491418131 /nfs/dbraw/zinc/41/81/31/491418131.db2.gz JBXKIQCDIZRZFT-CEXWTWQISA-N 2 2 360.502 0.858 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000566165408 491422122 /nfs/dbraw/zinc/42/21/22/491422122.db2.gz SEFZIZUOEFDIAO-HNNXBMFYSA-N 2 2 374.551 0.285 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000566165408 491422124 /nfs/dbraw/zinc/42/21/24/491422124.db2.gz SEFZIZUOEFDIAO-HNNXBMFYSA-N 2 2 374.551 0.285 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000566169292 491422591 /nfs/dbraw/zinc/42/25/91/491422591.db2.gz BHXGVFILCAQJCK-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2([NH3+])CCC2)CC1 ZINC000566178533 491423381 /nfs/dbraw/zinc/42/33/81/491423381.db2.gz XOAOVYCIGBJSLS-UHFFFAOYSA-N 2 2 366.487 0.120 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000566242794 491429728 /nfs/dbraw/zinc/42/97/28/491429728.db2.gz JDVCEPBZLXPIQB-QZTJIDSGSA-N 2 2 364.534 0.929 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000566242794 491429729 /nfs/dbraw/zinc/42/97/29/491429729.db2.gz JDVCEPBZLXPIQB-QZTJIDSGSA-N 2 2 364.534 0.929 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000573429386 491432394 /nfs/dbraw/zinc/43/23/94/491432394.db2.gz CGXBNIZGXJDSKS-KDOFPFPSSA-N 2 2 351.495 0.370 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1[NH2+]CCc2ccccc21 ZINC000566297553 491433598 /nfs/dbraw/zinc/43/35/98/491433598.db2.gz FKFHZPFAYIIMOZ-SFHVURJKSA-N 2 2 355.442 1.041 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000566303675 491434106 /nfs/dbraw/zinc/43/41/06/491434106.db2.gz FDMGXHSLZIDGNS-RTBURBONSA-N 2 2 372.513 0.881 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000558530690 491434580 /nfs/dbraw/zinc/43/45/80/491434580.db2.gz QVQAEBLJIIXABQ-QGZVFWFLSA-N 2 2 369.469 0.976 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000558530690 491434581 /nfs/dbraw/zinc/43/45/81/491434581.db2.gz QVQAEBLJIIXABQ-QGZVFWFLSA-N 2 2 369.469 0.976 20 0 FCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000573499674 491437285 /nfs/dbraw/zinc/43/72/85/491437285.db2.gz VKHDLXYNVCVGAJ-SFHVURJKSA-N 2 2 352.454 0.144 20 0 FCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000573499674 491437287 /nfs/dbraw/zinc/43/72/87/491437287.db2.gz VKHDLXYNVCVGAJ-SFHVURJKSA-N 2 2 352.454 0.144 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000573505619 491437773 /nfs/dbraw/zinc/43/77/73/491437773.db2.gz BEVUQXSXNWCBMN-NVXWUHKLSA-N 2 2 360.458 0.124 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000573505619 491437775 /nfs/dbraw/zinc/43/77/75/491437775.db2.gz BEVUQXSXNWCBMN-NVXWUHKLSA-N 2 2 360.458 0.124 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000566391543 491440739 /nfs/dbraw/zinc/44/07/39/491440739.db2.gz IMJTYMYTFSSWAM-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000566391543 491440742 /nfs/dbraw/zinc/44/07/42/491440742.db2.gz IMJTYMYTFSSWAM-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566441871 491443609 /nfs/dbraw/zinc/44/36/09/491443609.db2.gz LHRSTZMNJGLGMW-MOPGFXCFSA-N 2 2 361.486 0.660 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566441871 491443610 /nfs/dbraw/zinc/44/36/10/491443610.db2.gz LHRSTZMNJGLGMW-MOPGFXCFSA-N 2 2 361.486 0.660 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494525 491448565 /nfs/dbraw/zinc/44/85/65/491448565.db2.gz AGBAEAVDGYELOB-GDIGMMSISA-N 2 2 370.497 0.986 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494525 491448567 /nfs/dbraw/zinc/44/85/67/491448567.db2.gz AGBAEAVDGYELOB-GDIGMMSISA-N 2 2 370.497 0.986 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785317 491454780 /nfs/dbraw/zinc/45/47/80/491454780.db2.gz LNBIFFPUKQSANR-ZWKOTPCHSA-N 2 2 361.490 0.090 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785317 491454781 /nfs/dbraw/zinc/45/47/81/491454781.db2.gz LNBIFFPUKQSANR-ZWKOTPCHSA-N 2 2 361.490 0.090 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000573799829 491455551 /nfs/dbraw/zinc/45/55/51/491455551.db2.gz FICHCKZJVLMGPO-UHFFFAOYSA-N 2 2 355.442 0.776 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000573904449 491462174 /nfs/dbraw/zinc/46/21/74/491462174.db2.gz CXZRTYXAUIIKOD-MSOLQXFVSA-N 2 2 361.490 0.263 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566732754 491463351 /nfs/dbraw/zinc/46/33/51/491463351.db2.gz DLNNGGLFASJOFL-VCBZYWHSSA-N 2 2 372.473 0.150 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566732754 491463353 /nfs/dbraw/zinc/46/33/53/491463353.db2.gz DLNNGGLFASJOFL-VCBZYWHSSA-N 2 2 372.473 0.150 20 0 FCADLP COc1ccc(OC)c(CCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000573942297 491464107 /nfs/dbraw/zinc/46/41/07/491464107.db2.gz RKKJYGXTOCXAGW-OAHLLOKOSA-N 2 2 350.463 0.921 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000566751394 491464480 /nfs/dbraw/zinc/46/44/80/491464480.db2.gz JBGLUEOQAGLOHA-QGZVFWFLSA-N 2 2 371.485 0.995 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000559360104 491466889 /nfs/dbraw/zinc/46/68/89/491466889.db2.gz XHEHKGMCKGTCCF-HOTGVXAUSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000566845843 491470312 /nfs/dbraw/zinc/47/03/12/491470312.db2.gz BXUQLQNKAFTGPB-XOKHGSTOSA-N 2 2 363.506 0.369 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000559401418 491470480 /nfs/dbraw/zinc/47/04/80/491470480.db2.gz ADRBNUZKVQZRFA-IRXDYDNUSA-N 2 2 367.453 0.705 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000559401418 491470481 /nfs/dbraw/zinc/47/04/81/491470481.db2.gz ADRBNUZKVQZRFA-IRXDYDNUSA-N 2 2 367.453 0.705 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000559435356 491472791 /nfs/dbraw/zinc/47/27/91/491472791.db2.gz YIRPHNLJWSGJCF-UHFFFAOYSA-N 2 2 358.446 0.915 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549430 491480167 /nfs/dbraw/zinc/48/01/67/491480167.db2.gz DMNZCKRSTPNINP-OIISXLGYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549430 491480170 /nfs/dbraw/zinc/48/01/70/491480170.db2.gz DMNZCKRSTPNINP-OIISXLGYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549650 491480236 /nfs/dbraw/zinc/48/02/36/491480236.db2.gz HQDKODYZVWACBF-VYDXJSESSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549650 491480239 /nfs/dbraw/zinc/48/02/39/491480239.db2.gz HQDKODYZVWACBF-VYDXJSESSA-N 2 2 366.506 0.201 20 0 FCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051868 491482698 /nfs/dbraw/zinc/48/26/98/491482698.db2.gz BZTUGIIXSDHKAG-QUCCMNQESA-N 2 2 372.513 0.676 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051868 491482700 /nfs/dbraw/zinc/48/27/00/491482700.db2.gz BZTUGIIXSDHKAG-QUCCMNQESA-N 3 2 372.513 0.676 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051868 491482702 /nfs/dbraw/zinc/48/27/02/491482702.db2.gz BZTUGIIXSDHKAG-QUCCMNQESA-N 3 2 372.513 0.676 20 0 FCADLP O=C(CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000574262016 491484601 /nfs/dbraw/zinc/48/46/01/491484601.db2.gz UPYUKRCHXMIHDI-CVEARBPZSA-N 2 2 372.473 0.124 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(S(C)(=O)=O)CC3)CC2)CC1 ZINC000567122487 491487287 /nfs/dbraw/zinc/48/72/87/491487287.db2.gz IMQAGAATRNEFBD-UHFFFAOYSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000574452539 491497956 /nfs/dbraw/zinc/49/79/56/491497956.db2.gz BGOCDKTTZVEJAJ-LBPRGKRZSA-N 2 2 354.476 0.735 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000567337089 491500258 /nfs/dbraw/zinc/50/02/58/491500258.db2.gz SUCNYYOXXHITDB-QCEMKRCNSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000567337089 491500261 /nfs/dbraw/zinc/50/02/61/491500261.db2.gz SUCNYYOXXHITDB-QCEMKRCNSA-N 2 2 352.458 0.630 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000574504213 491501200 /nfs/dbraw/zinc/50/12/00/491501200.db2.gz VPEFJJRTZLHMFL-INIZCTEOSA-N 3 2 361.494 0.347 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000574504213 491501203 /nfs/dbraw/zinc/50/12/03/491501203.db2.gz VPEFJJRTZLHMFL-INIZCTEOSA-N 3 2 361.494 0.347 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000574504557 491501244 /nfs/dbraw/zinc/50/12/44/491501244.db2.gz WJZRANHVQCYDDT-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000574512097 491501442 /nfs/dbraw/zinc/50/14/42/491501442.db2.gz GJXXHYOVPPKVIF-KRWDZBQOSA-N 2 2 367.465 0.845 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574563170 491505316 /nfs/dbraw/zinc/50/53/16/491505316.db2.gz POULBMMXTMYPNY-OAHLLOKOSA-N 2 2 350.488 0.732 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCSC1 ZINC000559865613 491506246 /nfs/dbraw/zinc/50/62/46/491506246.db2.gz SKAHUCNCPGKBBP-MRXNPFEDSA-N 2 2 353.492 0.333 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000559968579 491513130 /nfs/dbraw/zinc/51/31/30/491513130.db2.gz KJRLXEQRFQPXJS-CQSZACIVSA-N 2 2 351.451 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023810 491515962 /nfs/dbraw/zinc/51/59/62/491515962.db2.gz FNAMNKLGJPEUFJ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023810 491515963 /nfs/dbraw/zinc/51/59/63/491515963.db2.gz FNAMNKLGJPEUFJ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023810 491515964 /nfs/dbraw/zinc/51/59/64/491515964.db2.gz FNAMNKLGJPEUFJ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023810 491515965 /nfs/dbraw/zinc/51/59/65/491515965.db2.gz FNAMNKLGJPEUFJ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717588 491524765 /nfs/dbraw/zinc/52/47/65/491524765.db2.gz VGGHKRNGYBJUDI-CHWSQXEVSA-N 2 2 363.462 0.588 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717588 491524766 /nfs/dbraw/zinc/52/47/66/491524766.db2.gz VGGHKRNGYBJUDI-CHWSQXEVSA-N 2 2 363.462 0.588 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)CCC2 ZINC000560302981 491529685 /nfs/dbraw/zinc/52/96/85/491529685.db2.gz WKRJUZMRSHVURS-HNNXBMFYSA-N 2 2 358.446 0.978 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567881307 491537688 /nfs/dbraw/zinc/53/76/88/491537688.db2.gz VZNHMZXHSDNNQZ-JKSUJKDBSA-N 2 2 361.490 0.167 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H]3[NH2+]CC[C@H]3C1)C2 ZINC000567889908 491538729 /nfs/dbraw/zinc/53/87/29/491538729.db2.gz JMQCKPSHBZCIQW-KBPBESRZSA-N 2 2 359.474 0.639 20 0 FCADLP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH2+]CC3([NH3+])CCC3)CC2)C1 ZINC000567891279 491539034 /nfs/dbraw/zinc/53/90/34/491539034.db2.gz WVOXWXGCWJWAPY-HNNXBMFYSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000567966272 491543852 /nfs/dbraw/zinc/54/38/52/491543852.db2.gz BMEHWVFVKLRSKM-ZDUSSCGKSA-N 2 2 366.487 0.702 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000560558414 491544868 /nfs/dbraw/zinc/54/48/68/491544868.db2.gz KBLGDDCAUVBNEO-DLBZAZTESA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000560558414 491544869 /nfs/dbraw/zinc/54/48/69/491544869.db2.gz KBLGDDCAUVBNEO-DLBZAZTESA-N 2 2 365.522 0.807 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598443 493349662 /nfs/dbraw/zinc/34/96/62/493349662.db2.gz NBIDXTFSKMVRMJ-DLBZAZTESA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598443 493349666 /nfs/dbraw/zinc/34/96/66/493349666.db2.gz NBIDXTFSKMVRMJ-DLBZAZTESA-N 2 2 368.522 0.401 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000575401771 491552167 /nfs/dbraw/zinc/55/21/67/491552167.db2.gz MJVMARCZHQBCNM-APWZRJJASA-N 2 2 370.497 0.856 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000575401771 491552168 /nfs/dbraw/zinc/55/21/68/491552168.db2.gz MJVMARCZHQBCNM-APWZRJJASA-N 2 2 370.497 0.856 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]4OCC[NH2+][C@H]4C3)cc2)CC1 ZINC000568094302 491552778 /nfs/dbraw/zinc/55/27/78/491552778.db2.gz BRPVWZXMCWMRJV-RBUKOAKNSA-N 2 2 358.486 0.637 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]4OCC[NH2+][C@H]4C3)cc2)CC1 ZINC000568094301 491552884 /nfs/dbraw/zinc/55/28/84/491552884.db2.gz BRPVWZXMCWMRJV-OALUTQOASA-N 2 2 358.486 0.637 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000575766295 491559277 /nfs/dbraw/zinc/55/92/77/491559277.db2.gz PXNLFIPLDIVVHK-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000568236084 491561680 /nfs/dbraw/zinc/56/16/80/491561680.db2.gz AGTHRPGLLWZFOJ-UHFFFAOYSA-N 2 2 365.478 0.885 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000568236084 491561681 /nfs/dbraw/zinc/56/16/81/491561681.db2.gz AGTHRPGLLWZFOJ-UHFFFAOYSA-N 2 2 365.478 0.885 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000560962647 491567644 /nfs/dbraw/zinc/56/76/44/491567644.db2.gz ZWHYDKZGINTWMH-OKILXGFUSA-N 2 2 356.467 0.032 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000575925390 491570762 /nfs/dbraw/zinc/57/07/62/491570762.db2.gz MISXKLPMFLOGNL-CJNGLKHVSA-N 2 2 359.474 0.788 20 0 FCADLP C[C@@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)C[NH+](C)C ZINC000561093986 491574453 /nfs/dbraw/zinc/57/44/53/491574453.db2.gz BZCNKFQKSWRHEZ-AWEZNQCLSA-N 2 2 355.504 0.949 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)cn2)CC1 ZINC000561101856 491574945 /nfs/dbraw/zinc/57/49/45/491574945.db2.gz RETQXSIRKAWMBL-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000561157971 491579391 /nfs/dbraw/zinc/57/93/91/491579391.db2.gz HGUACBLXJHCDQA-OTWHNJEPSA-N 2 2 358.486 0.791 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000561175299 491580528 /nfs/dbraw/zinc/58/05/28/491580528.db2.gz FJEGEKLURYWKNF-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000561175299 491580529 /nfs/dbraw/zinc/58/05/29/491580529.db2.gz FJEGEKLURYWKNF-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000568508591 491581121 /nfs/dbraw/zinc/58/11/21/491581121.db2.gz ITXMSHONXKJKSQ-BFYDXBDKSA-N 2 2 362.478 0.403 20 0 FCADLP CCOC1CC(CNC(=O)N2CCCC[C@H]2C[NH3+])([NH+]2CCOCC2)C1 ZINC000561203189 491582865 /nfs/dbraw/zinc/58/28/65/491582865.db2.gz OLCZLYURVNKXEU-HJOIGYKYSA-N 2 2 354.495 0.779 20 0 FCADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C1CC1)[NH+]1CC(C)C1 ZINC000561215465 491584315 /nfs/dbraw/zinc/58/43/15/491584315.db2.gz MZDBQQNQPLKQDS-BFYDXBDKSA-N 2 2 350.507 0.678 20 0 FCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000584410941 491588180 /nfs/dbraw/zinc/58/81/80/491588180.db2.gz ZATJLDAYGIJCLK-IAGOWNOFSA-N 2 2 350.507 0.681 20 0 FCADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000584422021 491590688 /nfs/dbraw/zinc/59/06/88/491590688.db2.gz KOCDOVBHGIEDGD-GOSISDBHSA-N 2 2 358.486 0.536 20 0 FCADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000584422021 491590691 /nfs/dbraw/zinc/59/06/91/491590691.db2.gz KOCDOVBHGIEDGD-GOSISDBHSA-N 2 2 358.486 0.536 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000576230895 491595696 /nfs/dbraw/zinc/59/56/96/491595696.db2.gz RKZXHZYOULOZRL-YOEHRIQHSA-N 2 2 357.458 0.784 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000577196458 491601341 /nfs/dbraw/zinc/60/13/41/491601341.db2.gz JLVLGMQDJMYUPE-INIZCTEOSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000577196458 491601342 /nfs/dbraw/zinc/60/13/42/491601342.db2.gz JLVLGMQDJMYUPE-INIZCTEOSA-N 2 2 368.522 0.308 20 0 FCADLP CSCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000576287479 491601639 /nfs/dbraw/zinc/60/16/39/491601639.db2.gz VDJRXQHCSABHRA-UHFFFAOYSA-N 2 2 356.536 0.531 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000584540784 491601859 /nfs/dbraw/zinc/60/18/59/491601859.db2.gz KSYHNEWOLNGPPY-ZWKOTPCHSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000584540784 491601863 /nfs/dbraw/zinc/60/18/63/491601863.db2.gz KSYHNEWOLNGPPY-ZWKOTPCHSA-N 2 2 374.485 0.472 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000561367001 491602039 /nfs/dbraw/zinc/60/20/39/491602039.db2.gz ASSOFQYBLVZTFA-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000561367828 491602068 /nfs/dbraw/zinc/60/20/68/491602068.db2.gz UAYBGWDCILKVHP-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CC(C)(C)C)NC(=O)Cc1c[nH+]cn1C ZINC000584548929 491603407 /nfs/dbraw/zinc/60/34/07/491603407.db2.gz RDDFLUSGPSSCIB-CQSZACIVSA-N 2 2 374.489 0.976 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1OC ZINC000568748933 491605919 /nfs/dbraw/zinc/60/59/19/491605919.db2.gz DRGDLPMOQPSREK-LSDHHAIUSA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1OC ZINC000568748933 491605924 /nfs/dbraw/zinc/60/59/24/491605924.db2.gz DRGDLPMOQPSREK-LSDHHAIUSA-N 2 2 363.458 0.870 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000576346177 491606711 /nfs/dbraw/zinc/60/67/11/491606711.db2.gz IYXFWYSAKQKTCS-HNNXBMFYSA-N 2 2 368.503 0.067 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000576346177 491606714 /nfs/dbraw/zinc/60/67/14/491606714.db2.gz IYXFWYSAKQKTCS-HNNXBMFYSA-N 2 2 368.503 0.067 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000576357451 491607771 /nfs/dbraw/zinc/60/77/71/491607771.db2.gz OTQUUJLYHSTQMA-LBPRGKRZSA-N 2 2 370.392 0.963 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000576357451 491607774 /nfs/dbraw/zinc/60/77/74/491607774.db2.gz OTQUUJLYHSTQMA-LBPRGKRZSA-N 2 2 370.392 0.963 20 0 FCADLP CCNC(=O)N1CCc2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc21 ZINC000577267952 491607875 /nfs/dbraw/zinc/60/78/75/491607875.db2.gz WVPBPZFQJOCFDZ-OAHLLOKOSA-N 2 2 360.462 0.885 20 0 FCADLP CCNC(=O)N1CCc2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc21 ZINC000577267952 491607879 /nfs/dbraw/zinc/60/78/79/491607879.db2.gz WVPBPZFQJOCFDZ-OAHLLOKOSA-N 2 2 360.462 0.885 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)CC2)N1 ZINC000561566642 491617551 /nfs/dbraw/zinc/61/75/51/491617551.db2.gz CPZCSEKXEUXSEV-MUZJZNNISA-N 2 2 372.469 0.732 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)CC2)N1 ZINC000561566642 491617554 /nfs/dbraw/zinc/61/75/54/491617554.db2.gz CPZCSEKXEUXSEV-MUZJZNNISA-N 2 2 372.469 0.732 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568976751 491623857 /nfs/dbraw/zinc/62/38/57/491623857.db2.gz GMGQIDLPMBSCLC-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568976751 491623859 /nfs/dbraw/zinc/62/38/59/491623859.db2.gz GMGQIDLPMBSCLC-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000568996637 491625464 /nfs/dbraw/zinc/62/54/64/491625464.db2.gz MKKYWYBYPWOLCF-MRXNPFEDSA-N 2 2 353.463 0.721 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000568996637 491625465 /nfs/dbraw/zinc/62/54/65/491625465.db2.gz MKKYWYBYPWOLCF-MRXNPFEDSA-N 2 2 353.463 0.721 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000576601989 491628529 /nfs/dbraw/zinc/62/85/29/491628529.db2.gz KJONSWJFJHRGMV-MRXNPFEDSA-N 2 2 361.490 0.697 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000576602594 491628617 /nfs/dbraw/zinc/62/86/17/491628617.db2.gz JECXMYNZVDJTNA-UHFFFAOYSA-N 2 2 371.441 0.327 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000561812764 491631765 /nfs/dbraw/zinc/63/17/65/491631765.db2.gz KLPMCVZSVBQWCJ-OLZOCXBDSA-N 2 2 350.467 0.043 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000561812764 491631767 /nfs/dbraw/zinc/63/17/67/491631767.db2.gz KLPMCVZSVBQWCJ-OLZOCXBDSA-N 2 2 350.467 0.043 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576649958 491632811 /nfs/dbraw/zinc/63/28/11/491632811.db2.gz VOGSOLWRRRRCGR-XIRDDKMYSA-N 2 2 374.485 0.896 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576649958 491632815 /nfs/dbraw/zinc/63/28/15/491632815.db2.gz VOGSOLWRRRRCGR-XIRDDKMYSA-N 2 2 374.485 0.896 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@H]2[NH3+])cn1 ZINC000569095596 491632980 /nfs/dbraw/zinc/63/29/80/491632980.db2.gz SYNPCHNEYMYTHO-JKSUJKDBSA-N 2 2 357.462 0.632 20 0 FCADLP C[NH2+][C@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1cnn(C)c1 ZINC000569118494 491635536 /nfs/dbraw/zinc/63/55/36/491635536.db2.gz SCDKFKAKSIDHGB-DZKIICNBSA-N 2 2 363.441 0.143 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000577606416 491635903 /nfs/dbraw/zinc/63/59/03/491635903.db2.gz HZAGAXXLMBPKGS-GOEBONIOSA-N 2 2 351.495 0.452 20 0 FCADLP CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000561932163 491641086 /nfs/dbraw/zinc/64/10/86/491641086.db2.gz REOPFNNAQBKRSZ-KRWDZBQOSA-N 2 2 368.522 0.452 20 0 FCADLP CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000561932163 491641089 /nfs/dbraw/zinc/64/10/89/491641089.db2.gz REOPFNNAQBKRSZ-KRWDZBQOSA-N 2 2 368.522 0.452 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[NH+]1CCOCC1 ZINC000577697643 491644184 /nfs/dbraw/zinc/64/41/84/491644184.db2.gz IOZFASZHXBOZQW-OIISXLGYSA-N 2 2 351.491 0.761 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000577722472 491646105 /nfs/dbraw/zinc/64/61/05/491646105.db2.gz ALEXHRASBBPLEM-QGZVFWFLSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000577722472 491646107 /nfs/dbraw/zinc/64/61/07/491646107.db2.gz ALEXHRASBBPLEM-QGZVFWFLSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000576813247 491646942 /nfs/dbraw/zinc/64/69/42/491646942.db2.gz GNADGLQXBOYKMM-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000576813247 491646945 /nfs/dbraw/zinc/64/69/45/491646945.db2.gz GNADGLQXBOYKMM-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])on1 ZINC000569320348 491651739 /nfs/dbraw/zinc/65/17/39/491651739.db2.gz LVQASIMNVGEJCU-SOUVJXGZSA-N 2 2 368.457 0.180 20 0 FCADLP Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])on1 ZINC000569320348 491651741 /nfs/dbraw/zinc/65/17/41/491651741.db2.gz LVQASIMNVGEJCU-SOUVJXGZSA-N 2 2 368.457 0.180 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000576864201 491651862 /nfs/dbraw/zinc/65/18/62/491651862.db2.gz QQFQWCJQXAGSHV-NVXWUHKLSA-N 2 2 368.522 0.138 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000576864201 491651866 /nfs/dbraw/zinc/65/18/66/491651866.db2.gz QQFQWCJQXAGSHV-NVXWUHKLSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000569338295 491653513 /nfs/dbraw/zinc/65/35/13/491653513.db2.gz NMFMECWTSFRACC-KRWDZBQOSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C[C@H]1[NH3+] ZINC000576928047 491657191 /nfs/dbraw/zinc/65/71/91/491657191.db2.gz VOFZQKRKDDXUJZ-NVXWUHKLSA-N 2 2 365.522 0.700 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000577858361 491658072 /nfs/dbraw/zinc/65/80/72/491658072.db2.gz OCCIQLOGVASBDA-ZDUSSCGKSA-N 2 2 354.495 0.249 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(F)cc1 ZINC000577867173 491658659 /nfs/dbraw/zinc/65/86/59/491658659.db2.gz QMLQCZUYLXMHRM-RYRKJORJSA-N 2 2 362.449 0.883 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc(F)cc1 ZINC000577867173 491658661 /nfs/dbraw/zinc/65/86/61/491658661.db2.gz QMLQCZUYLXMHRM-RYRKJORJSA-N 2 2 362.449 0.883 20 0 FCADLP C[C@]([NH3+])(C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000576988909 491662647 /nfs/dbraw/zinc/66/26/47/491662647.db2.gz GOKAPHFFEODEFB-LJQANCHMSA-N 2 2 354.458 0.961 20 0 FCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCCCN1CCCCCC1=O ZINC000562370062 491667408 /nfs/dbraw/zinc/66/74/08/491667408.db2.gz STYYIHILLBMFTK-UHFFFAOYSA-N 2 2 362.478 0.441 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCOCC1 ZINC000578344137 491675367 /nfs/dbraw/zinc/67/53/67/491675367.db2.gz JIZDVCZHXKMDGZ-KRWDZBQOSA-N 2 2 370.538 0.648 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000578535609 491679316 /nfs/dbraw/zinc/67/93/16/491679316.db2.gz KLPDUSXRUPZXHW-HNNXBMFYSA-N 2 2 361.490 0.861 20 0 FCADLP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cnn(C)c1 ZINC000578627990 491681168 /nfs/dbraw/zinc/68/11/68/491681168.db2.gz WPAYMJMUMAMZPF-RRQGHBQHSA-N 2 2 359.478 0.613 20 0 FCADLP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1cnn(C)c1 ZINC000578627990 491681169 /nfs/dbraw/zinc/68/11/69/491681169.db2.gz WPAYMJMUMAMZPF-RRQGHBQHSA-N 2 2 359.478 0.613 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000578733978 491682973 /nfs/dbraw/zinc/68/29/73/491682973.db2.gz CHEHIPUKKYPWOO-JFIYKMOQSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000578733978 491682974 /nfs/dbraw/zinc/68/29/74/491682974.db2.gz CHEHIPUKKYPWOO-JFIYKMOQSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578738669 491683231 /nfs/dbraw/zinc/68/32/31/491683231.db2.gz LEEUGYJVUBNNQT-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1C)[NH+](C)C ZINC000579012431 491689152 /nfs/dbraw/zinc/68/91/52/491689152.db2.gz UOOGUDRNEZRSHI-INIZCTEOSA-N 2 2 373.457 0.735 20 0 FCADLP C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000579235343 491693718 /nfs/dbraw/zinc/69/37/18/491693718.db2.gz GVVARRZXKZZNMY-YJBOKZPZSA-N 2 2 363.481 0.438 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579469005 491698507 /nfs/dbraw/zinc/69/85/07/491698507.db2.gz PHGHOSMZJIQVEY-WBVHZDCISA-N 2 2 359.474 0.545 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)ccc2n1C ZINC000579557655 491700380 /nfs/dbraw/zinc/70/03/80/491700380.db2.gz SIPHQQNVQOJVEM-BETUJISGSA-N 2 2 373.457 0.734 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)ccc2n1C ZINC000579557655 491700381 /nfs/dbraw/zinc/70/03/81/491700381.db2.gz SIPHQQNVQOJVEM-BETUJISGSA-N 2 2 373.457 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000579574611 491700788 /nfs/dbraw/zinc/70/07/88/491700788.db2.gz BBFWFFODOBZPNJ-ZNMIVQPWSA-N 2 2 352.431 0.854 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000579574611 491700789 /nfs/dbraw/zinc/70/07/89/491700789.db2.gz BBFWFFODOBZPNJ-ZNMIVQPWSA-N 2 2 352.431 0.854 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609044 491701457 /nfs/dbraw/zinc/70/14/57/491701457.db2.gz LWPCLEPVMYEIDW-YJBOKZPZSA-N 2 2 374.485 0.587 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609044 491701458 /nfs/dbraw/zinc/70/14/58/491701458.db2.gz LWPCLEPVMYEIDW-YJBOKZPZSA-N 2 2 374.485 0.587 20 0 FCADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579615162 491701795 /nfs/dbraw/zinc/70/17/95/491701795.db2.gz ZPFKIMDFKWLDRS-QZTJIDSGSA-N 2 2 358.486 0.977 20 0 FCADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579615162 491701796 /nfs/dbraw/zinc/70/17/96/491701796.db2.gz ZPFKIMDFKWLDRS-QZTJIDSGSA-N 2 2 358.486 0.977 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000579764856 491704975 /nfs/dbraw/zinc/70/49/75/491704975.db2.gz HYUUCMDGYGHOTR-HNNXBMFYSA-N 2 2 359.474 0.727 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579935939 491709961 /nfs/dbraw/zinc/70/99/61/491709961.db2.gz YAFFIRROTMUVCN-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579935939 491709962 /nfs/dbraw/zinc/70/99/62/491709962.db2.gz YAFFIRROTMUVCN-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C1CC1 ZINC000584749475 491712552 /nfs/dbraw/zinc/71/25/52/491712552.db2.gz SJGYPCSPXDSURY-HNNXBMFYSA-N 2 2 373.544 0.946 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)C1CC1 ZINC000584749475 491712554 /nfs/dbraw/zinc/71/25/54/491712554.db2.gz SJGYPCSPXDSURY-HNNXBMFYSA-N 2 2 373.544 0.946 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1Cc1ccccc1 ZINC000580062646 491715612 /nfs/dbraw/zinc/71/56/12/491715612.db2.gz NTZGWHFLCRELBE-CEXWTWQISA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1Cc1ccccc1 ZINC000580062646 491715613 /nfs/dbraw/zinc/71/56/13/491715613.db2.gz NTZGWHFLCRELBE-CEXWTWQISA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000580118875 491718524 /nfs/dbraw/zinc/71/85/24/491718524.db2.gz QFMJEBPXWKZFQY-RDJZCZTQSA-N 2 2 363.462 0.246 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000580118875 491718525 /nfs/dbraw/zinc/71/85/25/491718525.db2.gz QFMJEBPXWKZFQY-RDJZCZTQSA-N 2 2 363.462 0.246 20 0 FCADLP COc1ccc(NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1S(=O)(=O)N(C)C ZINC000580312457 491725421 /nfs/dbraw/zinc/72/54/21/491725421.db2.gz QWMRNLZLXXXVCX-UHFFFAOYSA-N 2 2 370.475 0.355 20 0 FCADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580421784 491730379 /nfs/dbraw/zinc/73/03/79/491730379.db2.gz IRVKSYHQUTVHAE-UHFFFAOYSA-N 2 2 355.442 0.850 20 0 FCADLP CCN(CC)C(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000580419633 491730389 /nfs/dbraw/zinc/73/03/89/491730389.db2.gz JKSWMRWNLKAVIY-KRWDZBQOSA-N 2 2 361.490 0.953 20 0 FCADLP CCN(CC)C(=O)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000580419633 491730390 /nfs/dbraw/zinc/73/03/90/491730390.db2.gz JKSWMRWNLKAVIY-KRWDZBQOSA-N 2 2 361.490 0.953 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000580422682 491730557 /nfs/dbraw/zinc/73/05/57/491730557.db2.gz CAWKQFSCGRYCSR-MRXNPFEDSA-N 2 2 373.501 0.822 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000580462023 491732359 /nfs/dbraw/zinc/73/23/59/491732359.db2.gz NUUMPEFZWBWAFP-HNNXBMFYSA-N 2 2 358.508 0.015 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000580462023 491732360 /nfs/dbraw/zinc/73/23/60/491732360.db2.gz NUUMPEFZWBWAFP-HNNXBMFYSA-N 2 2 358.508 0.015 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000580543532 491735415 /nfs/dbraw/zinc/73/54/15/491735415.db2.gz GXHPLEPRDIFJLX-LHDHZVESSA-N 2 2 369.550 0.814 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000580543532 491735416 /nfs/dbraw/zinc/73/54/16/491735416.db2.gz GXHPLEPRDIFJLX-LHDHZVESSA-N 2 2 369.550 0.814 20 0 FCADLP CCSCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236861 491742796 /nfs/dbraw/zinc/74/27/96/491742796.db2.gz RQRSZKGACHCFNX-CABCVRRESA-N 2 2 370.563 0.919 20 0 FCADLP CCSCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236861 491742798 /nfs/dbraw/zinc/74/27/98/491742798.db2.gz RQRSZKGACHCFNX-CABCVRRESA-N 2 2 370.563 0.919 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236459 491742890 /nfs/dbraw/zinc/74/28/90/491742890.db2.gz XZHBDSATISSKBV-AWEZNQCLSA-N 2 2 356.536 0.483 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236459 491742891 /nfs/dbraw/zinc/74/28/91/491742891.db2.gz XZHBDSATISSKBV-AWEZNQCLSA-N 2 2 356.536 0.483 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000588236350 491742897 /nfs/dbraw/zinc/74/28/97/491742897.db2.gz FSBZHEIXMWWYNZ-AWEZNQCLSA-N 2 2 368.547 0.673 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000588236350 491742898 /nfs/dbraw/zinc/74/28/98/491742898.db2.gz FSBZHEIXMWWYNZ-AWEZNQCLSA-N 2 2 368.547 0.673 20 0 FCADLP CSC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236436 491742910 /nfs/dbraw/zinc/74/29/10/491742910.db2.gz TYOBMFYWIOYNCH-GDBMZVCRSA-N 2 2 368.547 0.625 20 0 FCADLP CSC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236436 491742911 /nfs/dbraw/zinc/74/29/11/491742911.db2.gz TYOBMFYWIOYNCH-GDBMZVCRSA-N 2 2 368.547 0.625 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)c3ccc(O)cc3)CC2)CC1 ZINC000589695099 491765041 /nfs/dbraw/zinc/76/50/41/491765041.db2.gz XBUDJHDZCBWEGC-UHFFFAOYSA-N 2 2 374.485 0.797 20 0 FCADLP COCCOCc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000581360042 491769666 /nfs/dbraw/zinc/76/96/66/491769666.db2.gz UMYHOAOSKONJCO-KRWDZBQOSA-N 2 2 350.463 0.634 20 0 FCADLP COCCOCc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000581360042 491769668 /nfs/dbraw/zinc/76/96/68/491769668.db2.gz UMYHOAOSKONJCO-KRWDZBQOSA-N 2 2 350.463 0.634 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCC[NH2+]C3)ccn2)CC1 ZINC000581595690 491778988 /nfs/dbraw/zinc/77/89/88/491778988.db2.gz HRRSYKSYQYUDLS-OAHLLOKOSA-N 2 2 360.462 0.733 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H](C)CC(=O)N3)CC2)CC1 ZINC000581601686 491779310 /nfs/dbraw/zinc/77/93/10/491779310.db2.gz DMUYYNSNYVQFEX-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@H](C)CC(=O)N3)CC2)CC1 ZINC000581601686 491779311 /nfs/dbraw/zinc/77/93/11/491779311.db2.gz DMUYYNSNYVQFEX-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000581635596 491781169 /nfs/dbraw/zinc/78/11/69/491781169.db2.gz MIJMIOFPJNDUPS-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000581635596 491781170 /nfs/dbraw/zinc/78/11/70/491781170.db2.gz MIJMIOFPJNDUPS-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000581635596 491781172 /nfs/dbraw/zinc/78/11/72/491781172.db2.gz MIJMIOFPJNDUPS-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000581635596 491781173 /nfs/dbraw/zinc/78/11/73/491781173.db2.gz MIJMIOFPJNDUPS-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581751619 491785269 /nfs/dbraw/zinc/78/52/69/491785269.db2.gz IUUYWVSFSWOVKI-SQWLQELKSA-N 2 2 374.489 0.356 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581751619 491785271 /nfs/dbraw/zinc/78/52/71/491785271.db2.gz IUUYWVSFSWOVKI-SQWLQELKSA-N 2 2 374.489 0.356 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000590869280 491787942 /nfs/dbraw/zinc/78/79/42/491787942.db2.gz ODYADJOHZWDAJS-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000590869280 491787944 /nfs/dbraw/zinc/78/79/44/491787944.db2.gz ODYADJOHZWDAJS-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000581872396 491788382 /nfs/dbraw/zinc/78/83/82/491788382.db2.gz ZZODAYFHSPLWJB-MRXNPFEDSA-N 2 2 351.426 0.769 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000581872396 491788384 /nfs/dbraw/zinc/78/83/84/491788384.db2.gz ZZODAYFHSPLWJB-MRXNPFEDSA-N 2 2 351.426 0.769 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581895762 491789405 /nfs/dbraw/zinc/78/94/05/491789405.db2.gz OUQKIYHXITXGLY-XHBSWPGZSA-N 2 2 366.412 0.256 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581895762 491789407 /nfs/dbraw/zinc/78/94/07/491789407.db2.gz OUQKIYHXITXGLY-XHBSWPGZSA-N 2 2 366.412 0.256 20 0 FCADLP [NH3+]C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCCC1 ZINC000581997843 491793484 /nfs/dbraw/zinc/79/34/84/491793484.db2.gz DHKHVCVKAJEEID-UHFFFAOYSA-N 2 2 374.489 0.623 20 0 FCADLP [NH3+]C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCCC1 ZINC000581997843 491793485 /nfs/dbraw/zinc/79/34/85/491793485.db2.gz DHKHVCVKAJEEID-UHFFFAOYSA-N 2 2 374.489 0.623 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CC[NH2+]C1 ZINC000581997338 491793703 /nfs/dbraw/zinc/79/37/03/491793703.db2.gz XMYGJKFZGYKBHG-INIZCTEOSA-N 2 2 364.515 0.993 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CS(=O)(=O)CCO3)c2cc1C ZINC000582058257 491796030 /nfs/dbraw/zinc/79/60/30/491796030.db2.gz UWLRDUMRDDMFPE-LSDHHAIUSA-N 2 2 367.471 0.417 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CS(=O)(=O)CCO3)c2cc1C ZINC000582058255 491796224 /nfs/dbraw/zinc/79/62/24/491796224.db2.gz UWLRDUMRDDMFPE-GJZGRUSLSA-N 2 2 367.471 0.417 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[N@H+](C)C1 ZINC000591168193 491797950 /nfs/dbraw/zinc/79/79/50/491797950.db2.gz KMAVUKYRDGVDOA-OAHLLOKOSA-N 2 2 373.457 0.931 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[N@@H+](C)C1 ZINC000591168193 491797951 /nfs/dbraw/zinc/79/79/51/491797951.db2.gz KMAVUKYRDGVDOA-OAHLLOKOSA-N 2 2 373.457 0.931 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000582235469 491803531 /nfs/dbraw/zinc/80/35/31/491803531.db2.gz OEBRADLKHKBNAU-OAQYLSRUSA-N 2 2 370.497 0.851 20 0 FCADLP Cn1c2ncn(CC[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291791 491805884 /nfs/dbraw/zinc/80/58/84/491805884.db2.gz VMRYVWYORHWMCH-ZIAGYGMSSA-N 2 2 360.462 0.040 20 0 FCADLP Cn1c2ncn(CC[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291791 491805885 /nfs/dbraw/zinc/80/58/85/491805885.db2.gz VMRYVWYORHWMCH-ZIAGYGMSSA-N 2 2 360.462 0.040 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000582298756 491806385 /nfs/dbraw/zinc/80/63/85/491806385.db2.gz BSHUAVDHBXBPCH-GDBMZVCRSA-N 2 2 359.405 0.633 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000591553616 491808101 /nfs/dbraw/zinc/80/81/01/491808101.db2.gz KBPODMCFGXMQDB-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000591553616 491808103 /nfs/dbraw/zinc/80/81/03/491808103.db2.gz KBPODMCFGXMQDB-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3cn4ccccc4[nH+]3)CC2)C1=O ZINC000582442090 491812953 /nfs/dbraw/zinc/81/29/53/491812953.db2.gz FSPNTESFZFDPOG-INIZCTEOSA-N 2 2 355.442 0.688 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)C[C@@H](C)O1 ZINC000582481754 491814193 /nfs/dbraw/zinc/81/41/93/491814193.db2.gz GJAWOJQUVORSKD-LVQVYYBASA-N 2 2 352.454 0.859 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000582543577 491817134 /nfs/dbraw/zinc/81/71/34/491817134.db2.gz CHJFJGAZJMYMTO-INIZCTEOSA-N 2 2 355.442 0.458 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nn1-c1ccc(F)cc1F ZINC000582654220 491821323 /nfs/dbraw/zinc/82/13/23/491821323.db2.gz YRGPJUMICWTPMA-ZDUSSCGKSA-N 2 2 364.400 1.566 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nn1-c1ccc(F)cc1F ZINC000582654220 491821324 /nfs/dbraw/zinc/82/13/24/491821324.db2.gz YRGPJUMICWTPMA-ZDUSSCGKSA-N 2 2 364.400 1.566 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)CC2 ZINC000582730801 491824571 /nfs/dbraw/zinc/82/45/71/491824571.db2.gz TXOSEENPUMAXRM-INIZCTEOSA-N 2 2 362.474 0.752 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC000582866367 491830014 /nfs/dbraw/zinc/83/00/14/491830014.db2.gz WUJCMDGUWZAJMC-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC000582866367 491830016 /nfs/dbraw/zinc/83/00/16/491830016.db2.gz WUJCMDGUWZAJMC-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000668502790 493366091 /nfs/dbraw/zinc/36/60/91/493366091.db2.gz HQIAIINKWKTQLV-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)[C@@H](C[NH3+])C1 ZINC000583142829 491838957 /nfs/dbraw/zinc/83/89/57/491838957.db2.gz KZDVBRWUDHBYDA-AWEZNQCLSA-N 2 2 357.414 0.173 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)[C@@H](C[NH3+])C1 ZINC000583142829 491838958 /nfs/dbraw/zinc/83/89/58/491838958.db2.gz KZDVBRWUDHBYDA-AWEZNQCLSA-N 2 2 357.414 0.173 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2F)C[C@@H](C)O1 ZINC000583376302 491843609 /nfs/dbraw/zinc/84/36/09/491843609.db2.gz HNVJNFLRCQKKBE-KFWWJZLASA-N 2 2 353.438 0.615 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583494070 491846067 /nfs/dbraw/zinc/84/60/67/491846067.db2.gz IPCBAGRYDUNVSJ-UWJYYQICSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583494070 491846068 /nfs/dbraw/zinc/84/60/68/491846068.db2.gz IPCBAGRYDUNVSJ-UWJYYQICSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583628944 491848847 /nfs/dbraw/zinc/84/88/47/491848847.db2.gz FOXMWKBYWNUCAA-YJBOKZPZSA-N 2 2 372.473 0.646 20 0 FCADLP C[C@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583628944 491848848 /nfs/dbraw/zinc/84/88/48/491848848.db2.gz FOXMWKBYWNUCAA-YJBOKZPZSA-N 2 2 372.473 0.646 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583740392 491850972 /nfs/dbraw/zinc/85/09/72/491850972.db2.gz ZWXYDZXUOPMFHM-HNNXBMFYSA-N 2 2 356.430 0.847 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H](C)O1 ZINC000583748070 491851165 /nfs/dbraw/zinc/85/11/65/491851165.db2.gz POXGPRYNODJCDP-FCEWJHQRSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H](C)O1 ZINC000583748070 491851166 /nfs/dbraw/zinc/85/11/66/491851166.db2.gz POXGPRYNODJCDP-FCEWJHQRSA-N 2 2 359.474 0.886 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000584066898 491857837 /nfs/dbraw/zinc/85/78/37/491857837.db2.gz RPURMURGRZVIKQ-INIZCTEOSA-N 2 2 357.458 0.668 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1 ZINC000584239439 491861380 /nfs/dbraw/zinc/86/13/80/491861380.db2.gz ALUDDOWBOQIULA-UKRRQHHQSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1 ZINC000584239439 491861381 /nfs/dbraw/zinc/86/13/81/491861381.db2.gz ALUDDOWBOQIULA-UKRRQHHQSA-N 2 2 359.492 0.184 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)[nH+]c1 ZINC000594882543 491870794 /nfs/dbraw/zinc/87/07/94/491870794.db2.gz VSUBFYCMWZCRBM-CVEARBPZSA-N 2 2 357.458 0.377 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823493 491876290 /nfs/dbraw/zinc/87/62/90/491876290.db2.gz SQYMIRQOXFSAAY-IRXDYDNUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823493 491876293 /nfs/dbraw/zinc/87/62/93/491876293.db2.gz SQYMIRQOXFSAAY-IRXDYDNUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823492 491876366 /nfs/dbraw/zinc/87/63/66/491876366.db2.gz SQYMIRQOXFSAAY-IAGOWNOFSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823492 491876368 /nfs/dbraw/zinc/87/63/68/491876368.db2.gz SQYMIRQOXFSAAY-IAGOWNOFSA-N 2 2 364.490 0.053 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611838137 491877216 /nfs/dbraw/zinc/87/72/16/491877216.db2.gz GGZLZVJLKMIELI-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611838137 491877220 /nfs/dbraw/zinc/87/72/20/491877220.db2.gz GGZLZVJLKMIELI-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC(=O)C1CCC(O)(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600751436 491880474 /nfs/dbraw/zinc/88/04/74/491880474.db2.gz BRUOIMGPOYZOBR-CSLYMUCUSA-N 2 2 355.479 0.400 20 0 FCADLP CCOC(=O)C1CCC(O)(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600751436 491880476 /nfs/dbraw/zinc/88/04/76/491880476.db2.gz BRUOIMGPOYZOBR-CSLYMUCUSA-N 2 2 355.479 0.400 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000601362319 491908936 /nfs/dbraw/zinc/90/89/36/491908936.db2.gz LBSBISJXOUSRFC-HNNXBMFYSA-N 2 2 361.508 0.371 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)CCN2C1=O ZINC000595265754 491909301 /nfs/dbraw/zinc/90/93/01/491909301.db2.gz CKUHFPYFWGPRKD-JKSUJKDBSA-N 2 2 372.473 0.525 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000612484888 491924467 /nfs/dbraw/zinc/92/44/67/491924467.db2.gz IRAFKDKWVFKVAQ-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612488115 491925161 /nfs/dbraw/zinc/92/51/61/491925161.db2.gz XJBLZDHQWMSCMS-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000612545599 491931683 /nfs/dbraw/zinc/93/16/83/491931683.db2.gz LTAXNASXYSNHCG-OAHLLOKOSA-N 2 2 360.462 0.034 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000612545599 491931685 /nfs/dbraw/zinc/93/16/85/491931685.db2.gz LTAXNASXYSNHCG-OAHLLOKOSA-N 2 2 360.462 0.034 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543941 491931807 /nfs/dbraw/zinc/93/18/07/491931807.db2.gz TYDXDDOYPYXKLW-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543941 491931809 /nfs/dbraw/zinc/93/18/09/491931809.db2.gz TYDXDDOYPYXKLW-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543941 491931810 /nfs/dbraw/zinc/93/18/10/491931810.db2.gz TYDXDDOYPYXKLW-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612543941 491931812 /nfs/dbraw/zinc/93/18/12/491931812.db2.gz TYDXDDOYPYXKLW-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)=O ZINC000601804398 491950126 /nfs/dbraw/zinc/95/01/26/491950126.db2.gz KQQWWMXNFVNUNL-HNNXBMFYSA-N 2 2 362.430 0.930 20 0 FCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612863418 491955895 /nfs/dbraw/zinc/95/58/95/491955895.db2.gz VKQHOCXYKCRXCQ-OAHLLOKOSA-N 2 2 372.477 0.605 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965585 491960213 /nfs/dbraw/zinc/96/02/13/491960213.db2.gz ADOHBWAWODMBDC-YOEHRIQHSA-N 2 2 354.520 0.636 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000602149899 491963840 /nfs/dbraw/zinc/96/38/40/491963840.db2.gz XBGIDIDKHNGCRK-UHFFFAOYSA-N 2 2 373.457 0.505 20 0 FCADLP COC(=O)[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000596223346 491980193 /nfs/dbraw/zinc/98/01/93/491980193.db2.gz PICFZPTWEORACE-CTYIDZIISA-N 2 2 352.479 0.796 20 0 FCADLP Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(=O)n(-c2ccccc2)n1C ZINC000613552598 491985715 /nfs/dbraw/zinc/98/57/15/491985715.db2.gz MTYUYFOISMGTDV-JYJNAYRXSA-N 2 2 369.469 0.963 20 0 FCADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613552378 491985882 /nfs/dbraw/zinc/98/58/82/491985882.db2.gz FVJISAVOPDWXMO-STQMWFEESA-N 2 2 350.850 0.888 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3F)C2)CC1 ZINC000602462472 491987604 /nfs/dbraw/zinc/98/76/04/491987604.db2.gz BPNUHGPEQPGZBK-OAHLLOKOSA-N 2 2 370.494 0.685 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3F)C2)CC1 ZINC000602462472 491987605 /nfs/dbraw/zinc/98/76/05/491987605.db2.gz BPNUHGPEQPGZBK-OAHLLOKOSA-N 2 2 370.494 0.685 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3F)C2)CC1 ZINC000602462470 491987752 /nfs/dbraw/zinc/98/77/52/491987752.db2.gz BPNUHGPEQPGZBK-HNNXBMFYSA-N 2 2 370.494 0.685 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3F)C2)CC1 ZINC000602462470 491987753 /nfs/dbraw/zinc/98/77/53/491987753.db2.gz BPNUHGPEQPGZBK-HNNXBMFYSA-N 2 2 370.494 0.685 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602465886 491987783 /nfs/dbraw/zinc/98/77/83/491987783.db2.gz RUOSHTYULGKHNL-MRXNPFEDSA-N 2 2 352.504 0.546 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602465886 491987784 /nfs/dbraw/zinc/98/77/84/491987784.db2.gz RUOSHTYULGKHNL-MRXNPFEDSA-N 2 2 352.504 0.546 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523082 491991221 /nfs/dbraw/zinc/99/12/21/491991221.db2.gz BXUORJGSLHKVKH-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523082 491991224 /nfs/dbraw/zinc/99/12/24/491991224.db2.gz BXUORJGSLHKVKH-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523082 491991226 /nfs/dbraw/zinc/99/12/26/491991226.db2.gz BXUORJGSLHKVKH-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523082 491991229 /nfs/dbraw/zinc/99/12/29/491991229.db2.gz BXUORJGSLHKVKH-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215721 492022815 /nfs/dbraw/zinc/02/28/15/492022815.db2.gz MJNOFHFQVRWOCN-ZBFHGGJFSA-N 2 2 353.463 0.430 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215721 492022816 /nfs/dbraw/zinc/02/28/16/492022816.db2.gz MJNOFHFQVRWOCN-ZBFHGGJFSA-N 2 2 353.463 0.430 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)=O ZINC000597225548 492023245 /nfs/dbraw/zinc/02/32/45/492023245.db2.gz FTHWKIZBUGAPPO-MRXNPFEDSA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)=O ZINC000597225548 492023247 /nfs/dbraw/zinc/02/32/47/492023247.db2.gz FTHWKIZBUGAPPO-MRXNPFEDSA-N 2 2 355.479 0.629 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000614437069 492029914 /nfs/dbraw/zinc/02/99/14/492029914.db2.gz BXDISYNOBNNZDF-GOSISDBHSA-N 2 2 352.523 0.727 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603867469 492044234 /nfs/dbraw/zinc/04/42/34/492044234.db2.gz SWTNFGZLIWXNAC-DAYGRLMNSA-N 2 2 370.453 0.519 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603867469 492044236 /nfs/dbraw/zinc/04/42/36/492044236.db2.gz SWTNFGZLIWXNAC-DAYGRLMNSA-N 2 2 370.453 0.519 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000604188686 492053574 /nfs/dbraw/zinc/05/35/74/492053574.db2.gz GCYSVZILTRBZLA-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000604188686 492053576 /nfs/dbraw/zinc/05/35/76/492053576.db2.gz GCYSVZILTRBZLA-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP O=C(N1CCC[C@@H]([NH+]2CCOCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615545662 492093524 /nfs/dbraw/zinc/09/35/24/492093524.db2.gz FOANDECQMFNPHX-CTNGQTDRSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CCC[C@@H]([NH+]2CCOCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615545662 492093526 /nfs/dbraw/zinc/09/35/26/492093526.db2.gz FOANDECQMFNPHX-CTNGQTDRSA-N 2 2 373.497 0.947 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605520005 492096914 /nfs/dbraw/zinc/09/69/14/492096914.db2.gz IKCUCJDZPPKHDI-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000606716225 492127807 /nfs/dbraw/zinc/12/78/07/492127807.db2.gz NSQWLAPPDLXBTP-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000607241926 492141877 /nfs/dbraw/zinc/14/18/77/492141877.db2.gz YNTGKEQYUZLWMR-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000607241926 492141878 /nfs/dbraw/zinc/14/18/78/492141878.db2.gz YNTGKEQYUZLWMR-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000607241926 492141880 /nfs/dbraw/zinc/14/18/80/492141880.db2.gz YNTGKEQYUZLWMR-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000607241926 492141881 /nfs/dbraw/zinc/14/18/81/492141881.db2.gz YNTGKEQYUZLWMR-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000616783432 492143469 /nfs/dbraw/zinc/14/34/69/492143469.db2.gz BTTVAERJOSFZJL-IYBDPMFKSA-N 2 2 358.446 0.482 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607404502 492145724 /nfs/dbraw/zinc/14/57/24/492145724.db2.gz AACZFOVDVSAQBN-IBGZPJMESA-N 2 2 362.474 0.255 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607404502 492145726 /nfs/dbraw/zinc/14/57/26/492145726.db2.gz AACZFOVDVSAQBN-IBGZPJMESA-N 2 2 362.474 0.255 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608312987 492172215 /nfs/dbraw/zinc/17/22/15/492172215.db2.gz OYWOPMVPLVVMQG-INIZCTEOSA-N 2 2 362.478 0.917 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000608704391 492189001 /nfs/dbraw/zinc/18/90/01/492189001.db2.gz PSYBSYDERRACCO-FMKPAKJESA-N 2 2 351.495 0.463 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000608704391 492189003 /nfs/dbraw/zinc/18/90/03/492189003.db2.gz PSYBSYDERRACCO-FMKPAKJESA-N 2 2 351.495 0.463 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995531 492274125 /nfs/dbraw/zinc/27/41/25/492274125.db2.gz WIGAFAIMFUCMKH-OAGGEKHMSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995531 492274127 /nfs/dbraw/zinc/27/41/27/492274127.db2.gz WIGAFAIMFUCMKH-OAGGEKHMSA-N 2 2 352.479 0.938 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627474856 492312420 /nfs/dbraw/zinc/31/24/20/492312420.db2.gz ZBHLYHOQCDODGL-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627474856 492312424 /nfs/dbraw/zinc/31/24/24/492312424.db2.gz ZBHLYHOQCDODGL-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627477694 492314588 /nfs/dbraw/zinc/31/45/88/492314588.db2.gz ACSPMFJZYMJZQR-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000627480217 492315638 /nfs/dbraw/zinc/31/56/38/492315638.db2.gz MQEIZLIIWCUSPA-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000627480217 492315642 /nfs/dbraw/zinc/31/56/42/492315642.db2.gz MQEIZLIIWCUSPA-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP Cn1nnc2c1C[C@@H](C(=O)Nc1cc(N3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC000634194923 492326954 /nfs/dbraw/zinc/32/69/54/492326954.db2.gz XRYYLOBGHCJJAF-ZDUSSCGKSA-N 2 2 355.446 0.706 20 0 FCADLP C[C@@H]1[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000620745610 492332669 /nfs/dbraw/zinc/33/26/69/492332669.db2.gz RNQUVZJVSIGRSX-ZIAGYGMSSA-N 2 2 358.446 0.387 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)c1ccccc1Cl ZINC000642104459 492334732 /nfs/dbraw/zinc/33/47/32/492334732.db2.gz XIPHGOSRWMLZDI-HNNXBMFYSA-N 2 2 352.866 0.927 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000654703357 492342213 /nfs/dbraw/zinc/34/22/13/492342213.db2.gz VZBUSPYSNNZYRG-CKEIUWERSA-N 2 2 362.478 0.866 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642257110 492346671 /nfs/dbraw/zinc/34/66/71/492346671.db2.gz VGCIJHDSWQPNQI-AWEZNQCLSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642257110 492346674 /nfs/dbraw/zinc/34/66/74/492346674.db2.gz VGCIJHDSWQPNQI-AWEZNQCLSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000642337482 492352714 /nfs/dbraw/zinc/35/27/14/492352714.db2.gz NSYABMIZMCMTDZ-JYJNAYRXSA-N 2 2 352.479 0.004 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@@H](C)[NH3+])[nH+]c12 ZINC000642353080 492354777 /nfs/dbraw/zinc/35/47/77/492354777.db2.gz WGYOKUUTVIGFRA-SECBINFHSA-N 2 2 368.235 0.485 20 0 FCADLP CCNC(=O)C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634641022 492357211 /nfs/dbraw/zinc/35/72/11/492357211.db2.gz LLYYXIGVXGMDET-FQEVSTJZSA-N 2 2 360.502 0.377 20 0 FCADLP CCNC(=O)C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634641022 492357220 /nfs/dbraw/zinc/35/72/20/492357220.db2.gz LLYYXIGVXGMDET-FQEVSTJZSA-N 2 2 360.502 0.377 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000642481256 492359575 /nfs/dbraw/zinc/35/95/75/492359575.db2.gz RNDBANWGAXAYIY-ZDUSSCGKSA-N 2 2 367.881 0.042 20 0 FCADLP CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634701279 492360524 /nfs/dbraw/zinc/36/05/24/492360524.db2.gz MZIOHDXNZXUHKO-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634701279 492360526 /nfs/dbraw/zinc/36/05/26/492360526.db2.gz MZIOHDXNZXUHKO-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP O=C1[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706589 492361445 /nfs/dbraw/zinc/36/14/45/492361445.db2.gz RUOSPQROWYBARI-PZJWPPBQSA-N 2 2 373.497 0.993 20 0 FCADLP O=C1[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706589 492361448 /nfs/dbraw/zinc/36/14/48/492361448.db2.gz RUOSPQROWYBARI-PZJWPPBQSA-N 2 2 373.497 0.993 20 0 FCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715551 492363315 /nfs/dbraw/zinc/36/33/15/492363315.db2.gz FSZUNRWYBMAAQK-IRXDYDNUSA-N 2 2 355.504 0.541 20 0 FCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715551 492363317 /nfs/dbraw/zinc/36/33/17/492363317.db2.gz FSZUNRWYBMAAQK-IRXDYDNUSA-N 2 2 355.504 0.541 20 0 FCADLP CCCC(=O)NC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000642623589 492367029 /nfs/dbraw/zinc/36/70/29/492367029.db2.gz WUACMJWSTQADKW-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)[nH+]c12 ZINC000642638789 492368139 /nfs/dbraw/zinc/36/81/39/492368139.db2.gz CCLJSSUIDXJRRJ-ZBFHGGJFSA-N 2 2 355.442 0.512 20 0 FCADLP 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C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000643519198 492489045 /nfs/dbraw/zinc/48/90/45/492489045.db2.gz FSMYSPYRCQRHSZ-IYBDPMFKSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000643519198 492489048 /nfs/dbraw/zinc/48/90/48/492489048.db2.gz FSMYSPYRCQRHSZ-IYBDPMFKSA-N 2 2 366.506 0.156 20 0 FCADLP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000635685514 492491304 /nfs/dbraw/zinc/49/13/04/492491304.db2.gz LKPYIKIFTQWDSF-ZWKOTPCHSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000635685514 492491308 /nfs/dbraw/zinc/49/13/08/492491308.db2.gz LKPYIKIFTQWDSF-ZWKOTPCHSA-N 2 2 351.491 0.953 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000643541420 492494619 /nfs/dbraw/zinc/49/46/19/492494619.db2.gz IWCNCOWXAWVLQR-HZPDHXFCSA-N 2 2 357.458 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563174 492498576 /nfs/dbraw/zinc/49/85/76/492498576.db2.gz KRURXQGQESLZBI-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563174 492498581 /nfs/dbraw/zinc/49/85/81/492498581.db2.gz KRURXQGQESLZBI-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H]1C[NH3+] ZINC000643593368 492502810 /nfs/dbraw/zinc/50/28/10/492502810.db2.gz UUDONBVEQBYFCU-GDBMZVCRSA-N 2 2 364.515 0.978 20 0 FCADLP CN(CC(=O)N1CCCC1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649274476 492517691 /nfs/dbraw/zinc/51/76/91/492517691.db2.gz OCYCNTLZUHZGOI-SFHVURJKSA-N 2 2 369.469 0.882 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649281586 492519998 /nfs/dbraw/zinc/51/99/98/492519998.db2.gz VJKKAGXWUCKIGB-DLBZAZTESA-N 2 2 370.457 0.616 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649284159 492521121 /nfs/dbraw/zinc/52/11/21/492521121.db2.gz RQXGORMTKQLAIK-GFCCVEGCSA-N 2 2 365.388 0.257 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649283547 492521167 /nfs/dbraw/zinc/52/11/67/492521167.db2.gz KSUDQAUZQSXOPW-MRXNPFEDSA-N 2 2 351.414 0.987 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000649285575 492522416 /nfs/dbraw/zinc/52/24/16/492522416.db2.gz DXXYTPFLZIRPJN-UHFFFAOYSA-N 2 2 371.445 0.267 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649295981 492525111 /nfs/dbraw/zinc/52/51/11/492525111.db2.gz NOZSOKZJMSWJNZ-FUHWJXTLSA-N 2 2 370.457 0.616 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(F)(F)[C@@H](CO)C3)C2)CC1 ZINC000643717531 492540561 /nfs/dbraw/zinc/54/05/61/492540561.db2.gz QDRGJYHRHVZAGD-ZIAGYGMSSA-N 2 2 360.449 0.814 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(F)(F)[C@@H](CO)C3)C2)CC1 ZINC000643717531 492540563 /nfs/dbraw/zinc/54/05/63/492540563.db2.gz QDRGJYHRHVZAGD-ZIAGYGMSSA-N 2 2 360.449 0.814 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649352182 492546072 /nfs/dbraw/zinc/54/60/72/492546072.db2.gz AMSYPPZEAWBNIH-OAHLLOKOSA-N 2 2 372.477 0.121 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[NH+]2CCOCC2)s1 ZINC000643778071 492555572 /nfs/dbraw/zinc/55/55/72/492555572.db2.gz DQJIXBXPZOVLNY-LSDHHAIUSA-N 2 2 353.488 0.782 20 0 FCADLP CCN1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185473 492563485 /nfs/dbraw/zinc/56/34/85/492563485.db2.gz HTKHSBXGXJAKIY-GOEBONIOSA-N 2 2 351.495 0.417 20 0 FCADLP CCN1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185473 492563487 /nfs/dbraw/zinc/56/34/87/492563487.db2.gz HTKHSBXGXJAKIY-GOEBONIOSA-N 2 2 351.495 0.417 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000656282861 492567599 /nfs/dbraw/zinc/56/75/99/492567599.db2.gz QVWIDBYBPHKTSE-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000623636600 492577811 /nfs/dbraw/zinc/57/78/11/492577811.db2.gz WFWZQUCLMFKBJT-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CC[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000623636600 492577814 /nfs/dbraw/zinc/57/78/14/492577814.db2.gz WFWZQUCLMFKBJT-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636317713 492582406 /nfs/dbraw/zinc/58/24/06/492582406.db2.gz JZPOEZWPBKBGQW-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636317713 492582411 /nfs/dbraw/zinc/58/24/11/492582411.db2.gz JZPOEZWPBKBGQW-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000629174768 492583465 /nfs/dbraw/zinc/58/34/65/492583465.db2.gz HOFYBILYCNVSMQ-QGZVFWFLSA-N 2 2 371.441 0.708 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000629174768 492583470 /nfs/dbraw/zinc/58/34/70/492583470.db2.gz HOFYBILYCNVSMQ-QGZVFWFLSA-N 2 2 371.441 0.708 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656324157 492592088 /nfs/dbraw/zinc/59/20/88/492592088.db2.gz MEAVMUZJCJNWSA-ZACQAIPSSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656324157 492592092 /nfs/dbraw/zinc/59/20/92/492592092.db2.gz MEAVMUZJCJNWSA-ZACQAIPSSA-N 2 2 371.485 0.910 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[NH+](C)C)c1 ZINC000636463879 492592885 /nfs/dbraw/zinc/59/28/85/492592885.db2.gz NAWWFCQSIXUPTC-HNNXBMFYSA-N 2 2 359.430 0.796 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000636477602 492597444 /nfs/dbraw/zinc/59/74/44/492597444.db2.gz YPLGPWKFCVCARI-UHFFFAOYSA-N 2 2 371.441 0.517 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559377 492644616 /nfs/dbraw/zinc/64/46/16/492644616.db2.gz BFKVBBIMQZDKGJ-VXGBXAGGSA-N 2 2 361.430 0.401 20 0 FCADLP O=S(=O)(CC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccn1 ZINC000629537619 492641888 /nfs/dbraw/zinc/64/18/88/492641888.db2.gz KJJNNKIMNZASJA-CABCVRRESA-N 2 2 351.472 0.556 20 0 FCADLP O=S(=O)(CC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccn1 ZINC000629537619 492641889 /nfs/dbraw/zinc/64/18/89/492641889.db2.gz KJJNNKIMNZASJA-CABCVRRESA-N 2 2 351.472 0.556 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559377 492644615 /nfs/dbraw/zinc/64/46/15/492644615.db2.gz BFKVBBIMQZDKGJ-VXGBXAGGSA-N 2 2 361.430 0.401 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650598616 492653596 /nfs/dbraw/zinc/65/35/96/492653596.db2.gz KRLAEFPNGQNDET-GOSISDBHSA-N 2 2 355.442 0.892 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650598616 492653598 /nfs/dbraw/zinc/65/35/98/492653598.db2.gz KRLAEFPNGQNDET-GOSISDBHSA-N 2 2 355.442 0.892 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668685 492654953 /nfs/dbraw/zinc/65/49/53/492654953.db2.gz PLZSUIBKSAORCY-NVXWUHKLSA-N 2 2 369.469 0.921 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668685 492654957 /nfs/dbraw/zinc/65/49/57/492654957.db2.gz PLZSUIBKSAORCY-NVXWUHKLSA-N 2 2 369.469 0.921 20 0 FCADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644157000 492655214 /nfs/dbraw/zinc/65/52/14/492655214.db2.gz UESZMJCIRZPSBU-YOEHRIQHSA-N 2 2 374.489 0.396 20 0 FCADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644157000 492655215 /nfs/dbraw/zinc/65/52/15/492655215.db2.gz UESZMJCIRZPSBU-YOEHRIQHSA-N 2 2 374.489 0.396 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578977 492655258 /nfs/dbraw/zinc/65/52/58/492655258.db2.gz YIJBRSBSNRPUBO-UHFFFAOYSA-N 3 2 364.490 0.247 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578977 492655262 /nfs/dbraw/zinc/65/52/62/492655262.db2.gz YIJBRSBSNRPUBO-UHFFFAOYSA-N 3 2 364.490 0.247 20 0 FCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636706927 492666778 /nfs/dbraw/zinc/66/67/78/492666778.db2.gz HDXRSFPGEXFNPS-HNNXBMFYSA-N 2 2 368.522 0.281 20 0 FCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636706927 492666783 /nfs/dbraw/zinc/66/67/83/492666783.db2.gz HDXRSFPGEXFNPS-HNNXBMFYSA-N 2 2 368.522 0.281 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000636708318 492668197 /nfs/dbraw/zinc/66/81/97/492668197.db2.gz KLISQKLVXQLHLA-GJZGRUSLSA-N 2 2 365.478 0.621 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000636708318 492668205 /nfs/dbraw/zinc/66/82/05/492668205.db2.gz KLISQKLVXQLHLA-GJZGRUSLSA-N 2 2 365.478 0.621 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000629810799 492683911 /nfs/dbraw/zinc/68/39/11/492683911.db2.gz BDZXLUYHNRJEGQ-INIZCTEOSA-N 2 2 354.495 0.012 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000629814376 492686230 /nfs/dbraw/zinc/68/62/30/492686230.db2.gz IHNKPYRNEJWFCD-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCN(C)C1=O ZINC000636791223 492694273 /nfs/dbraw/zinc/69/42/73/492694273.db2.gz DVHMBVSTAZEMSI-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCN(C)C1=O ZINC000636791223 492694276 /nfs/dbraw/zinc/69/42/76/492694276.db2.gz DVHMBVSTAZEMSI-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000651152242 492715063 /nfs/dbraw/zinc/71/50/63/492715063.db2.gz BSCLYZGATJAGMQ-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000651152242 492715067 /nfs/dbraw/zinc/71/50/67/492715067.db2.gz BSCLYZGATJAGMQ-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CO2 ZINC000651231433 492725300 /nfs/dbraw/zinc/72/53/00/492725300.db2.gz JLMCGPLRKRWMEZ-ROUUACIJSA-N 2 2 361.486 0.995 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315558 492740895 /nfs/dbraw/zinc/74/08/95/492740895.db2.gz ZAWGLIVUGGBNPZ-GDBMZVCRSA-N 2 2 361.494 0.253 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnnn2CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315558 492740899 /nfs/dbraw/zinc/74/08/99/492740899.db2.gz ZAWGLIVUGGBNPZ-GDBMZVCRSA-N 2 2 361.494 0.253 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000657529016 492757803 /nfs/dbraw/zinc/75/78/03/492757803.db2.gz BQNXJUMDWBQNNG-INIZCTEOSA-N 2 2 357.458 0.427 20 0 FCADLP C[C@@H](CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)n1cc[nH+]c1 ZINC000651460867 492761792 /nfs/dbraw/zinc/76/17/92/492761792.db2.gz ATKOEPPZGMQDEA-LSDHHAIUSA-N 2 2 356.492 0.802 20 0 FCADLP COCCOCC[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000651485968 492766776 /nfs/dbraw/zinc/76/67/76/492766776.db2.gz OOXZEYPMYPRBIW-UHFFFAOYSA-N 2 2 367.519 0.815 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[NH+]3CCC(O)CC3)cc2[nH+]1 ZINC000657650588 492771707 /nfs/dbraw/zinc/77/17/07/492771707.db2.gz REJJOBYPWPYGTK-UHFFFAOYSA-N 2 2 359.430 0.544 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)cc2[nH+]1 ZINC000657650778 492772096 /nfs/dbraw/zinc/77/20/96/492772096.db2.gz VXBCDOCAYXNSLH-AWEZNQCLSA-N 2 2 372.473 0.581 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC(=O)N3CCOCC3)c2cc1C ZINC000644517296 492780547 /nfs/dbraw/zinc/78/05/47/492780547.db2.gz QGOBAKOQCUJYOG-MRXNPFEDSA-N 2 2 360.458 0.853 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)C[C@H](C)O1 ZINC000644519807 492781900 /nfs/dbraw/zinc/78/19/00/492781900.db2.gz VLLXESNEFNOBEX-JTDSTZFVSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)C[C@H](C)O1 ZINC000644519807 492781902 /nfs/dbraw/zinc/78/19/02/492781902.db2.gz VLLXESNEFNOBEX-JTDSTZFVSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCC3(O)CC[NH+](C(C)C)CC3)cc2[nH+]1 ZINC000657732174 492785166 /nfs/dbraw/zinc/78/51/66/492785166.db2.gz OGIKNJNAVJOQOV-UHFFFAOYSA-N 2 2 373.457 0.933 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1cccs1 ZINC000644569126 492785522 /nfs/dbraw/zinc/78/55/22/492785522.db2.gz JXLRCGGKVXVTBY-IAGOWNOFSA-N 2 2 369.531 0.622 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000644569741 492785556 /nfs/dbraw/zinc/78/55/56/492785556.db2.gz SYCYXVUJVFVCHO-OALUTQOASA-N 2 2 351.466 0.725 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569134 492785767 /nfs/dbraw/zinc/78/57/67/492785767.db2.gz LJTNDLAOSDKNIE-RTBURBONSA-N 2 2 363.502 0.731 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccc(F)cc1 ZINC000644569152 492785936 /nfs/dbraw/zinc/78/59/36/492785936.db2.gz PVGOEIRCZOTFQG-QZTJIDSGSA-N 2 2 367.465 0.562 20 0 FCADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000657807873 492798768 /nfs/dbraw/zinc/79/87/68/492798768.db2.gz LRGFTDBJDALBBU-UHFFFAOYSA-N 2 2 352.504 0.802 20 0 FCADLP OC1CCN(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631154282 492800528 /nfs/dbraw/zinc/80/05/28/492800528.db2.gz UVFXJOUQFGATNQ-UHFFFAOYSA-N 2 2 363.502 0.944 20 0 FCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000657916329 492813637 /nfs/dbraw/zinc/81/36/37/492813637.db2.gz YQHODPCFJIWQIR-HZPDHXFCSA-N 2 2 372.477 0.552 20 0 FCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000657916330 492813866 /nfs/dbraw/zinc/81/38/66/492813866.db2.gz YQHODPCFJIWQIR-JKSUJKDBSA-N 2 2 372.477 0.552 20 0 FCADLP OC[C@H]1CCCN1c1cc(N2CC[NH+](CCc3cnccn3)CC2)nc[nH+]1 ZINC000631535257 492822547 /nfs/dbraw/zinc/82/25/47/492822547.db2.gz VXRMDHSASAZIBL-QGZVFWFLSA-N 2 2 369.473 0.592 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC000651833238 492830023 /nfs/dbraw/zinc/83/00/23/492830023.db2.gz VEFHUPAXOVLQGM-AWEZNQCLSA-N 2 2 373.461 0.726 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccco1 ZINC000631655216 492830299 /nfs/dbraw/zinc/83/02/99/492830299.db2.gz XTIRJMQVYISBBX-OAHLLOKOSA-N 2 2 358.508 0.439 20 0 FCADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000631717195 492840145 /nfs/dbraw/zinc/84/01/45/492840145.db2.gz DJSTZXQRUGWWQF-UHFFFAOYSA-N 2 2 368.503 0.824 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000631722831 492840801 /nfs/dbraw/zinc/84/08/01/492840801.db2.gz YNHXQKVMFLMKGZ-UHFFFAOYSA-N 2 2 369.535 0.319 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000625623430 492844213 /nfs/dbraw/zinc/84/42/13/492844213.db2.gz RGGBFOWQURTOKS-KBMXLJTQSA-N 2 2 363.462 0.119 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846387 492861497 /nfs/dbraw/zinc/86/14/97/492861497.db2.gz YGWNPGUSUUSSAO-HZPDHXFCSA-N 2 2 356.430 0.104 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846387 492861501 /nfs/dbraw/zinc/86/15/01/492861501.db2.gz YGWNPGUSUUSSAO-HZPDHXFCSA-N 2 2 356.430 0.104 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000631909078 492875563 /nfs/dbraw/zinc/87/55/63/492875563.db2.gz PGWZDJLDDASULM-UHFFFAOYSA-N 2 2 352.504 0.733 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000631910720 492876579 /nfs/dbraw/zinc/87/65/79/492876579.db2.gz MAOJZGQJMBDJSF-ZIAGYGMSSA-N 2 2 362.540 0.392 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000658419709 492878608 /nfs/dbraw/zinc/87/86/08/492878608.db2.gz IULNANBFSFROMO-KGLIPLIRSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000658419709 492878613 /nfs/dbraw/zinc/87/86/13/492878613.db2.gz IULNANBFSFROMO-KGLIPLIRSA-N 2 2 372.429 0.431 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000645221322 492879515 /nfs/dbraw/zinc/87/95/15/492879515.db2.gz JLNVPAFMBFDZND-UHFFFAOYSA-N 2 2 360.458 0.080 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@@H](C)CO1 ZINC000658420147 492879744 /nfs/dbraw/zinc/87/97/44/492879744.db2.gz LDTGQQVWFUBSCN-KBPBESRZSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@@H](C)CO1 ZINC000658420147 492879746 /nfs/dbraw/zinc/87/97/46/492879746.db2.gz LDTGQQVWFUBSCN-KBPBESRZSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652128003 492883703 /nfs/dbraw/zinc/88/37/03/492883703.db2.gz LQCWBXUNPVEXOW-QZWWFDLISA-N 2 2 354.495 0.635 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)[NH+]1CCOCC1 ZINC000652127553 492884014 /nfs/dbraw/zinc/88/40/14/492884014.db2.gz WYORJDOCKKMNOB-YYIAUSFCSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[NH+]1CCOCC1 ZINC000652127551 492884095 /nfs/dbraw/zinc/88/40/95/492884095.db2.gz WYORJDOCKKMNOB-QZWWFDLISA-N 2 2 354.495 0.635 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000652137733 492884856 /nfs/dbraw/zinc/88/48/56/492884856.db2.gz UOTUYRAGZIFJDE-SZMVWBNQSA-N 2 2 368.547 0.965 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145879 492885583 /nfs/dbraw/zinc/88/55/83/492885583.db2.gz BIPTTZMVTHYUEZ-YYIAUSFCSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145879 492885587 /nfs/dbraw/zinc/88/55/87/492885587.db2.gz BIPTTZMVTHYUEZ-YYIAUSFCSA-N 2 2 354.495 0.635 20 0 FCADLP Cc1cccn2cc(CCNS(=O)(=O)N(C)C3CC[NH2+]CC3)[nH+]c12 ZINC000631925153 492886910 /nfs/dbraw/zinc/88/69/10/492886910.db2.gz OIJZDKWAGPRSIB-UHFFFAOYSA-N 2 2 351.476 0.703 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645305444 492890396 /nfs/dbraw/zinc/89/03/96/492890396.db2.gz SDQKBCCCSWWUBJ-JKSUJKDBSA-N 2 2 364.494 0.507 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645301640 492890609 /nfs/dbraw/zinc/89/06/09/492890609.db2.gz CWLRHLHYVYPTEI-GOEBONIOSA-N 2 2 350.467 0.117 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)c2ccccc2C[NH2+]1 ZINC000631943559 492893736 /nfs/dbraw/zinc/89/37/36/492893736.db2.gz ZOOHNZASVOGGAF-MRXNPFEDSA-N 2 2 366.531 0.952 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000645328173 492893713 /nfs/dbraw/zinc/89/37/13/492893713.db2.gz MALPAFPECPUFAE-QGZVFWFLSA-N 2 2 369.469 0.848 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cn2cc[nH+]c12 ZINC000645409570 492903136 /nfs/dbraw/zinc/90/31/36/492903136.db2.gz JVSCDYPEBZBAMT-UHFFFAOYSA-N 2 2 359.430 0.496 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cn2cc[nH+]c12 ZINC000645409570 492903140 /nfs/dbraw/zinc/90/31/40/492903140.db2.gz JVSCDYPEBZBAMT-UHFFFAOYSA-N 2 2 359.430 0.496 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000638102560 492905526 /nfs/dbraw/zinc/90/55/26/492905526.db2.gz JJBVXZGRRXNFTE-SFHVURJKSA-N 2 2 373.457 0.732 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104425 492906774 /nfs/dbraw/zinc/90/67/74/492906774.db2.gz ZPOHDPNVZPFITO-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104425 492906778 /nfs/dbraw/zinc/90/67/78/492906778.db2.gz ZPOHDPNVZPFITO-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104424 492907089 /nfs/dbraw/zinc/90/70/89/492907089.db2.gz ZPOHDPNVZPFITO-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104424 492907094 /nfs/dbraw/zinc/90/70/94/492907094.db2.gz ZPOHDPNVZPFITO-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1CC[NH3+] ZINC000652353496 492914628 /nfs/dbraw/zinc/91/46/28/492914628.db2.gz LYKOJXLNYCIHQP-DOMZBBRYSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1CC[NH3+] ZINC000652353496 492914630 /nfs/dbraw/zinc/91/46/30/492914630.db2.gz LYKOJXLNYCIHQP-DOMZBBRYSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350776 492914635 /nfs/dbraw/zinc/91/46/35/492914635.db2.gz HRJAETUXARLCPX-DCGLDWPTSA-N 2 2 366.487 0.722 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350776 492914638 /nfs/dbraw/zinc/91/46/38/492914638.db2.gz HRJAETUXARLCPX-DCGLDWPTSA-N 2 2 366.487 0.722 20 0 FCADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1CC[NH3+] ZINC000652353499 492914811 /nfs/dbraw/zinc/91/48/11/492914811.db2.gz LYKOJXLNYCIHQP-WFASDCNBSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H]1CC[NH3+] ZINC000652353499 492914813 /nfs/dbraw/zinc/91/48/13/492914813.db2.gz LYKOJXLNYCIHQP-WFASDCNBSA-N 2 2 354.476 0.722 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000626088309 492929327 /nfs/dbraw/zinc/92/93/27/492929327.db2.gz SQSZTLYXLSLOGN-UHFFFAOYSA-N 2 2 352.479 0.894 20 0 FCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658532483 492932606 /nfs/dbraw/zinc/93/26/06/492932606.db2.gz FVOPUHAFVVEELT-OAHLLOKOSA-N 2 2 370.413 0.139 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2C1 ZINC000658534174 492933471 /nfs/dbraw/zinc/93/34/71/492933471.db2.gz DKPLCICKCHJBTB-QGZVFWFLSA-N 2 2 358.442 0.504 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2C1 ZINC000658534174 492933475 /nfs/dbraw/zinc/93/34/75/492933475.db2.gz DKPLCICKCHJBTB-QGZVFWFLSA-N 2 2 358.442 0.504 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658533370 492933653 /nfs/dbraw/zinc/93/36/53/492933653.db2.gz RKYUKYYNDXXNTF-KRWDZBQOSA-N 2 2 374.485 0.928 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)CCC(=O)N1C1CC1 ZINC000638449378 492948146 /nfs/dbraw/zinc/94/81/46/492948146.db2.gz OSPKMEBPGCLQSE-UHOFOFEASA-N 2 2 359.474 0.976 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638558236 492960299 /nfs/dbraw/zinc/96/02/99/492960299.db2.gz WEMJBJYCQIYXLW-RYUDHWBXSA-N 2 2 352.401 0.429 20 0 FCADLP C[C@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638615954 492965681 /nfs/dbraw/zinc/96/56/81/492965681.db2.gz KCMDMSXDWAVNDY-ZBFHGGJFSA-N 2 2 350.438 0.441 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000645722620 492966778 /nfs/dbraw/zinc/96/67/78/492966778.db2.gz XFCQCADDPDFWIO-QGZVFWFLSA-N 2 2 360.458 0.716 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000652610659 492970456 /nfs/dbraw/zinc/97/04/56/492970456.db2.gz GYSCFUVZKUCTDX-UHFFFAOYSA-N 2 2 363.462 0.540 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000632317345 492971777 /nfs/dbraw/zinc/97/17/77/492971777.db2.gz URHIVOYIEZECDD-UHFFFAOYSA-N 2 2 355.508 0.276 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]([NH3+])c3c(F)cccc3F)CC2)C1=O ZINC000638856746 492982237 /nfs/dbraw/zinc/98/22/37/492982237.db2.gz SSMXSBOZDKDNNW-ZBFHGGJFSA-N 2 2 366.412 0.776 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638855699 492982391 /nfs/dbraw/zinc/98/23/91/492982391.db2.gz HUCGKKGWAMJRAH-WBVHZDCISA-N 2 2 360.458 0.506 20 0 FCADLP CO[C@@H](C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000638870980 492983334 /nfs/dbraw/zinc/98/33/34/492983334.db2.gz ICDWHQUJFHSAEL-RTBURBONSA-N 2 2 361.486 0.767 20 0 FCADLP CO[C@H](C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000638870978 492983617 /nfs/dbraw/zinc/98/36/17/492983617.db2.gz ICDWHQUJFHSAEL-OALUTQOASA-N 2 2 361.486 0.767 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658626219 492986503 /nfs/dbraw/zinc/98/65/03/492986503.db2.gz MUABJWOLHNWDTN-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658626219 492986506 /nfs/dbraw/zinc/98/65/06/492986506.db2.gz MUABJWOLHNWDTN-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000632374659 492986819 /nfs/dbraw/zinc/98/68/19/492986819.db2.gz SJVNWICIPHHURG-UHFFFAOYSA-N 2 2 355.442 0.755 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941211 492990081 /nfs/dbraw/zinc/99/00/81/492990081.db2.gz UGJWTDLAOKVIEH-TZIWHRDSSA-N 2 2 372.513 0.393 20 0 FCADLP O=C(N1CC[NH+](CCc2cnccn2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000639003249 492991724 /nfs/dbraw/zinc/99/17/24/492991724.db2.gz FJFZJXBNCKXQIK-OAHLLOKOSA-N 2 2 357.380 0.705 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652703615 492995733 /nfs/dbraw/zinc/99/57/33/492995733.db2.gz WEWRXTODODXSQZ-KBAYOESNSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652703615 492995740 /nfs/dbraw/zinc/99/57/40/492995740.db2.gz WEWRXTODODXSQZ-KBAYOESNSA-N 2 2 358.486 0.486 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736285 493012276 /nfs/dbraw/zinc/01/22/76/493012276.db2.gz CEZVFWHKZWNMSK-SFHVURJKSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736285 493012282 /nfs/dbraw/zinc/01/22/82/493012282.db2.gz CEZVFWHKZWNMSK-SFHVURJKSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H](Cc2ccccc2)C1 ZINC000652736673 493013690 /nfs/dbraw/zinc/01/36/90/493013690.db2.gz LVPKRBCVTMXQEK-OTWHNJEPSA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H](Cc2ccccc2)C1 ZINC000652736673 493013692 /nfs/dbraw/zinc/01/36/92/493013692.db2.gz LVPKRBCVTMXQEK-OTWHNJEPSA-N 2 2 370.497 0.725 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000639531975 493017210 /nfs/dbraw/zinc/01/72/10/493017210.db2.gz AAHPEASEZRGCNR-CYBMUJFWSA-N 2 2 369.491 0.129 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000639531975 493017213 /nfs/dbraw/zinc/01/72/13/493017213.db2.gz AAHPEASEZRGCNR-CYBMUJFWSA-N 2 2 369.491 0.129 20 0 FCADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000646210781 493027730 /nfs/dbraw/zinc/02/77/30/493027730.db2.gz HHTFHEAFJSGUSV-INIZCTEOSA-N 2 2 359.430 0.564 20 0 FCADLP CC1(C)CCC[N@@H+]1CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000639695020 493032465 /nfs/dbraw/zinc/03/24/65/493032465.db2.gz AZQIMDKTXPUXOA-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000639695020 493032470 /nfs/dbraw/zinc/03/24/70/493032470.db2.gz AZQIMDKTXPUXOA-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP Cn1c2[nH]c(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c(=O)n(C)c1=O ZINC000639701853 493033320 /nfs/dbraw/zinc/03/33/20/493033320.db2.gz DFBCSBLRHBCVKE-UHFFFAOYSA-N 2 2 369.429 0.068 20 0 FCADLP Cn1c2[nH]c(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c(=O)n(C)c1=O ZINC000639701853 493033322 /nfs/dbraw/zinc/03/33/22/493033322.db2.gz DFBCSBLRHBCVKE-UHFFFAOYSA-N 2 2 369.429 0.068 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1(C)C ZINC000639696106 493033690 /nfs/dbraw/zinc/03/36/90/493033690.db2.gz TYTNZCBNCPLBCO-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1(C)C ZINC000639696106 493033692 /nfs/dbraw/zinc/03/36/92/493033692.db2.gz TYTNZCBNCPLBCO-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2)cc[nH+]1 ZINC000652891133 493035715 /nfs/dbraw/zinc/03/57/15/493035715.db2.gz ATDMTBRTNWNGMI-GOSISDBHSA-N 2 2 367.453 0.710 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)c2)cc[nH+]1 ZINC000652891133 493035719 /nfs/dbraw/zinc/03/57/19/493035719.db2.gz ATDMTBRTNWNGMI-GOSISDBHSA-N 2 2 367.453 0.710 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851260 493055891 /nfs/dbraw/zinc/05/58/91/493055891.db2.gz JYRZWPOBICTQEL-IEBWSBKVSA-N 2 2 363.458 0.275 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851260 493055896 /nfs/dbraw/zinc/05/58/96/493055896.db2.gz JYRZWPOBICTQEL-IEBWSBKVSA-N 2 2 363.458 0.275 20 0 FCADLP [NH3+]CCOCC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000646540513 493056870 /nfs/dbraw/zinc/05/68/70/493056870.db2.gz POUQJMRLMJSDIH-GOSISDBHSA-N 2 2 374.485 0.297 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658800975 493059308 /nfs/dbraw/zinc/05/93/08/493059308.db2.gz DIDOESZVLBNDKM-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658800975 493059312 /nfs/dbraw/zinc/05/93/12/493059312.db2.gz DIDOESZVLBNDKM-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000658800975 493059316 /nfs/dbraw/zinc/05/93/16/493059316.db2.gz DIDOESZVLBNDKM-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000658800975 493059320 /nfs/dbraw/zinc/05/93/20/493059320.db2.gz DIDOESZVLBNDKM-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP C[N@@H+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](CO)C1 ZINC000639873086 493062478 /nfs/dbraw/zinc/06/24/78/493062478.db2.gz YTDXJMRBLCKQHJ-GOSISDBHSA-N 2 2 362.474 0.066 20 0 FCADLP C[N@H+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](CO)C1 ZINC000639873086 493062481 /nfs/dbraw/zinc/06/24/81/493062481.db2.gz YTDXJMRBLCKQHJ-GOSISDBHSA-N 2 2 362.474 0.066 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000653066377 493065304 /nfs/dbraw/zinc/06/53/04/493065304.db2.gz PYYMRQIODLTRTR-MRXNPFEDSA-N 2 2 350.438 0.779 20 0 FCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)NC ZINC000653070380 493066185 /nfs/dbraw/zinc/06/61/85/493066185.db2.gz SZFYHSNPLQGNLJ-LSDHHAIUSA-N 2 2 350.463 0.658 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000653077846 493066821 /nfs/dbraw/zinc/06/68/21/493066821.db2.gz NBIDVMJHTIXGRJ-MRXNPFEDSA-N 2 2 368.503 0.189 20 0 FCADLP CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653078188 493066866 /nfs/dbraw/zinc/06/68/66/493066866.db2.gz YQQQJQJFFKTEOU-MRXNPFEDSA-N 2 2 370.519 0.611 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000653080614 493067767 /nfs/dbraw/zinc/06/77/67/493067767.db2.gz MXCSEKMHMPEECK-VXGBXAGGSA-N 2 2 357.252 0.371 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000653083542 493068644 /nfs/dbraw/zinc/06/86/44/493068644.db2.gz AOUAXSLLLUAHAF-ZDUSSCGKSA-N 2 2 371.279 0.574 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000653094863 493069882 /nfs/dbraw/zinc/06/98/82/493069882.db2.gz SSYWDFJUNKUCMJ-ZDUSSCGKSA-N 2 2 358.439 0.484 20 0 FCADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1-n1nnnc1C1CC1 ZINC000653099447 493069960 /nfs/dbraw/zinc/06/99/60/493069960.db2.gz QXYXAABVDKXINL-ZDUSSCGKSA-N 2 2 359.434 0.766 20 0 FCADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000653094856 493069981 /nfs/dbraw/zinc/06/99/81/493069981.db2.gz SLHOCWHVKWTGCU-CYBMUJFWSA-N 2 2 370.475 0.353 20 0 FCADLP COC[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639951323 493070282 /nfs/dbraw/zinc/07/02/82/493070282.db2.gz JNYVYMTXLNHLTB-SFHVURJKSA-N 2 2 351.447 0.444 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000653111367 493071550 /nfs/dbraw/zinc/07/15/50/493071550.db2.gz NIPOXLSKXCYROT-KYHPRHEASA-N 2 2 368.522 0.483 20 0 FCADLP C[NH+](C)CC[C@@H](N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000653113770 493072554 /nfs/dbraw/zinc/07/25/54/493072554.db2.gz NKRWYIAWMNCULZ-QGZVFWFLSA-N 2 2 364.490 0.293 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115086 493072798 /nfs/dbraw/zinc/07/27/98/493072798.db2.gz CBHFQZBVPFIANI-RDJZCZTQSA-N 3 2 361.490 0.601 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115086 493072801 /nfs/dbraw/zinc/07/28/01/493072801.db2.gz CBHFQZBVPFIANI-RDJZCZTQSA-N 3 2 361.490 0.601 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124439 493075346 /nfs/dbraw/zinc/07/53/46/493075346.db2.gz YSSRBAZKOYZZDP-CABCVRRESA-N 3 2 353.536 0.432 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)c1 ZINC000653153601 493078397 /nfs/dbraw/zinc/07/83/97/493078397.db2.gz UUFCRKSZDCFOOR-GOSISDBHSA-N 2 2 364.490 0.497 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c2)CC1 ZINC000653155072 493079012 /nfs/dbraw/zinc/07/90/12/493079012.db2.gz ITKNUEMKAODRCK-SFHVURJKSA-N 2 2 361.490 0.568 20 0 FCADLP CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2 ZINC000653161151 493080054 /nfs/dbraw/zinc/08/00/54/493080054.db2.gz FLPKLHJZGJJZBS-OAHLLOKOSA-N 2 2 368.503 0.101 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000640050138 493080407 /nfs/dbraw/zinc/08/04/07/493080407.db2.gz XSFRVVDLWYZEQA-OAHLLOKOSA-N 2 2 355.866 0.786 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000640050138 493080413 /nfs/dbraw/zinc/08/04/13/493080413.db2.gz XSFRVVDLWYZEQA-OAHLLOKOSA-N 2 2 355.866 0.786 20 0 FCADLP Cc1ncc(CNC(=O)CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)s1 ZINC000640063471 493082100 /nfs/dbraw/zinc/08/21/00/493082100.db2.gz QQEHUICUSLNNKH-UHFFFAOYSA-N 2 2 353.492 0.164 20 0 FCADLP Cc1ncc(CNC(=O)CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)s1 ZINC000640063471 493082101 /nfs/dbraw/zinc/08/21/01/493082101.db2.gz QQEHUICUSLNNKH-UHFFFAOYSA-N 2 2 353.492 0.164 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000633027128 493105355 /nfs/dbraw/zinc/10/53/55/493105355.db2.gz CEWBICDCHGYJRE-ROUUACIJSA-N 2 2 371.485 0.335 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833757 493108599 /nfs/dbraw/zinc/10/85/99/493108599.db2.gz QJYMGEQIQKCSKH-XJKSGUPXSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833757 493108606 /nfs/dbraw/zinc/10/86/06/493108606.db2.gz QJYMGEQIQKCSKH-XJKSGUPXSA-N 2 2 354.401 0.633 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000633040447 493108729 /nfs/dbraw/zinc/10/87/29/493108729.db2.gz XMQBCTHSIDJFSU-RDJZCZTQSA-N 2 2 373.501 0.711 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000646840354 493110076 /nfs/dbraw/zinc/11/00/76/493110076.db2.gz KXDGKXWTTMUXMM-FZKQIMNGSA-N 2 2 363.458 0.637 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000646840354 493110080 /nfs/dbraw/zinc/11/00/80/493110080.db2.gz KXDGKXWTTMUXMM-FZKQIMNGSA-N 2 2 363.458 0.637 20 0 FCADLP C[C@@H]1CCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H]1n1cc[nH+]c1 ZINC000627230163 493111356 /nfs/dbraw/zinc/11/13/56/493111356.db2.gz GBEOZXOUBVZBHX-KBMXLJTQSA-N 2 2 358.450 0.802 20 0 FCADLP C[C@@]1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCC[NH2+]C1 ZINC000640552281 493116186 /nfs/dbraw/zinc/11/61/86/493116186.db2.gz BANPUWGVGRASQZ-GOSISDBHSA-N 2 2 351.495 0.326 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1)c1ccccc1F ZINC000627248609 493116964 /nfs/dbraw/zinc/11/69/64/493116964.db2.gz SASQGPFLEWCLME-CQSZACIVSA-N 2 2 363.437 0.245 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633088299 493119226 /nfs/dbraw/zinc/11/92/26/493119226.db2.gz KTFJPAXLMLYKLW-CALCHBBNSA-N 2 2 367.453 0.853 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000633090868 493121650 /nfs/dbraw/zinc/12/16/50/493121650.db2.gz XLVVGVMFLMPXFA-JFIYKMOQSA-N 2 2 358.486 0.773 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000633090868 493121653 /nfs/dbraw/zinc/12/16/53/493121653.db2.gz XLVVGVMFLMPXFA-JFIYKMOQSA-N 2 2 358.486 0.773 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633115291 493131526 /nfs/dbraw/zinc/13/15/26/493131526.db2.gz JAIATIUZVIRXKQ-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000633116490 493132440 /nfs/dbraw/zinc/13/24/40/493132440.db2.gz UNDUCTAYANNVLR-VYDXJSESSA-N 2 2 374.485 0.849 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000633115699 493132848 /nfs/dbraw/zinc/13/28/48/493132848.db2.gz MCTDPLXFZVMMPS-NVXWUHKLSA-N 2 2 374.485 0.678 20 0 FCADLP CC(C)(C)[C@@H]([NH3+])c1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1 ZINC000640867932 493139504 /nfs/dbraw/zinc/13/95/04/493139504.db2.gz YBKRUDREXLVMPH-HNNXBMFYSA-N 2 2 352.483 0.551 20 0 FCADLP CC(C)(CNC(=O)Cn1cc(C[NH+]2CCCCC2)nn1)[NH+]1CCOCC1 ZINC000640866174 493140179 /nfs/dbraw/zinc/14/01/79/493140179.db2.gz JXVLJBVLMYJWLS-UHFFFAOYSA-N 2 2 364.494 0.491 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000627303639 493143292 /nfs/dbraw/zinc/14/32/92/493143292.db2.gz XZYAHVDHDUGBPJ-HNNXBMFYSA-N 2 2 364.515 0.679 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000627303639 493143294 /nfs/dbraw/zinc/14/32/94/493143294.db2.gz XZYAHVDHDUGBPJ-HNNXBMFYSA-N 2 2 364.515 0.679 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627308962 493144909 /nfs/dbraw/zinc/14/49/09/493144909.db2.gz DEIHVNBTTSNFQX-KRWDZBQOSA-N 2 2 357.458 0.917 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000647034989 493150073 /nfs/dbraw/zinc/15/00/73/493150073.db2.gz NQHZRTWFSABRIE-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319460 493150149 /nfs/dbraw/zinc/15/01/49/493150149.db2.gz UIJIFOMFHHKFLC-XHSDSOJGSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627319460 493150154 /nfs/dbraw/zinc/15/01/54/493150154.db2.gz UIJIFOMFHHKFLC-XHSDSOJGSA-N 2 2 368.522 0.447 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000659095047 493150432 /nfs/dbraw/zinc/15/04/32/493150432.db2.gz WQWMMBDKRMUMIM-GJZGRUSLSA-N 2 2 362.474 0.960 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000659095047 493150438 /nfs/dbraw/zinc/15/04/38/493150438.db2.gz WQWMMBDKRMUMIM-GJZGRUSLSA-N 2 2 362.474 0.960 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641026152 493162965 /nfs/dbraw/zinc/16/29/65/493162965.db2.gz LQRQCQDABFFVIA-JKSUJKDBSA-N 2 2 351.495 0.467 20 0 FCADLP C[NH2+]Cc1cn([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000641030339 493162957 /nfs/dbraw/zinc/16/29/57/493162957.db2.gz RPZUFJNIKBPLEF-HNNXBMFYSA-N 2 2 372.473 0.707 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000627344783 493164510 /nfs/dbraw/zinc/16/45/10/493164510.db2.gz QNRDVZKZNVLIQU-UHFFFAOYSA-N 2 2 363.462 0.122 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000641209259 493182033 /nfs/dbraw/zinc/18/20/33/493182033.db2.gz WFRDWZYBUGWUPN-CHWSQXEVSA-N 2 2 358.450 0.465 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000666450272 493184864 /nfs/dbraw/zinc/18/48/64/493184864.db2.gz NNOYBWFWIOFXNX-CHWSQXEVSA-N 2 2 370.417 0.440 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681571291 493188193 /nfs/dbraw/zinc/18/81/93/493188193.db2.gz OJXBAVVWIBEDQK-XDNAFOTISA-N 2 2 368.522 0.989 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681571291 493188199 /nfs/dbraw/zinc/18/81/99/493188199.db2.gz OJXBAVVWIBEDQK-XDNAFOTISA-N 2 2 368.522 0.989 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000659314611 493189044 /nfs/dbraw/zinc/18/90/44/493189044.db2.gz LOFQYRUXZVXMNL-UHFFFAOYSA-N 2 2 374.445 0.082 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n1C ZINC000672525182 493190934 /nfs/dbraw/zinc/19/09/34/493190934.db2.gz PWSPVZILCGYSNX-ZDUSSCGKSA-N 2 2 359.434 0.163 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345067 493194724 /nfs/dbraw/zinc/19/47/24/493194724.db2.gz WOOWQXWEOHPWTP-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345067 493194732 /nfs/dbraw/zinc/19/47/32/493194732.db2.gz WOOWQXWEOHPWTP-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344585 493195249 /nfs/dbraw/zinc/19/52/49/493195249.db2.gz HQJRTGZOFJLCCS-SJLPKXTDSA-N 2 2 362.518 0.872 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](C2CC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344585 493195254 /nfs/dbraw/zinc/19/52/54/493195254.db2.gz HQJRTGZOFJLCCS-SJLPKXTDSA-N 2 2 362.518 0.872 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000654004435 493201779 /nfs/dbraw/zinc/20/17/79/493201779.db2.gz FXNKESJCABUCQY-MLGOLLRUSA-N 2 2 374.449 0.320 20 0 FCADLP CCc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550419 493203276 /nfs/dbraw/zinc/20/32/76/493203276.db2.gz IKDQAVIGBTUANS-CQSZACIVSA-N 2 2 363.462 0.138 20 0 FCADLP CCc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000672550419 493203279 /nfs/dbraw/zinc/20/32/79/493203279.db2.gz IKDQAVIGBTUANS-CQSZACIVSA-N 2 2 363.462 0.138 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000659566338 493213471 /nfs/dbraw/zinc/21/34/71/493213471.db2.gz JPXVJAANTFTGSD-SFHVURJKSA-N 3 2 360.506 0.578 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000659566338 493213476 /nfs/dbraw/zinc/21/34/76/493213476.db2.gz JPXVJAANTFTGSD-SFHVURJKSA-N 3 2 360.506 0.578 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637709 493220179 /nfs/dbraw/zinc/22/01/79/493220179.db2.gz NIUOTYGLAVNWKE-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637709 493220182 /nfs/dbraw/zinc/22/01/82/493220182.db2.gz NIUOTYGLAVNWKE-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672638050 493221014 /nfs/dbraw/zinc/22/10/14/493221014.db2.gz QPEOTMPIUPUETP-PMPSAXMXSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672638050 493221018 /nfs/dbraw/zinc/22/10/18/493221018.db2.gz QPEOTMPIUPUETP-PMPSAXMXSA-N 2 2 350.507 0.776 20 0 FCADLP CN1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000666734547 493221468 /nfs/dbraw/zinc/22/14/68/493221468.db2.gz XCANUTQNGJEJNR-OAHLLOKOSA-N 2 2 374.489 0.181 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000666734473 493221603 /nfs/dbraw/zinc/22/16/03/493221603.db2.gz UBOINIGHCHAQSM-UHFFFAOYSA-N 2 2 355.389 0.790 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659620088 493222133 /nfs/dbraw/zinc/22/21/33/493222133.db2.gz GYDHLBNMXGSCOO-MDCZIUGASA-N 2 2 363.506 0.467 20 0 FCADLP CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638688 493222370 /nfs/dbraw/zinc/22/23/70/493222370.db2.gz UOHKTCYVFIZNEY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638688 493222371 /nfs/dbraw/zinc/22/23/71/493222371.db2.gz UOHKTCYVFIZNEY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639357 493222639 /nfs/dbraw/zinc/22/26/39/493222639.db2.gz MFFILEORIPRBNQ-OWCLPIDISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639357 493222642 /nfs/dbraw/zinc/22/26/42/493222642.db2.gz MFFILEORIPRBNQ-OWCLPIDISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640082 493224135 /nfs/dbraw/zinc/22/41/35/493224135.db2.gz RJSJTXNAZASQSI-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640082 493224139 /nfs/dbraw/zinc/22/41/39/493224139.db2.gz RJSJTXNAZASQSI-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640162 493224321 /nfs/dbraw/zinc/22/43/21/493224321.db2.gz RZRZKPASTPIIIO-VNQPRFMTSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640162 493224327 /nfs/dbraw/zinc/22/43/27/493224327.db2.gz RZRZKPASTPIIIO-VNQPRFMTSA-N 2 2 366.506 0.201 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000672642535 493225928 /nfs/dbraw/zinc/22/59/28/493225928.db2.gz CFZNKHNMAUHEGB-ZFWWWQNUSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000672642535 493225931 /nfs/dbraw/zinc/22/59/31/493225931.db2.gz CFZNKHNMAUHEGB-ZFWWWQNUSA-N 2 2 354.520 0.235 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCOC(F)F)C2)CC1 ZINC000672642306 493225946 /nfs/dbraw/zinc/22/59/46/493225946.db2.gz FVZPDHFZFHBKMH-LBPRGKRZSA-N 2 2 362.421 0.017 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCOC(F)F)C2)CC1 ZINC000672642306 493225950 /nfs/dbraw/zinc/22/59/50/493225950.db2.gz FVZPDHFZFHBKMH-LBPRGKRZSA-N 2 2 362.421 0.017 20 0 FCADLP CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641493 493226021 /nfs/dbraw/zinc/22/60/21/493226021.db2.gz QLIJRCPVJGYYCS-VYDXJSESSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641493 493226023 /nfs/dbraw/zinc/22/60/23/493226023.db2.gz QLIJRCPVJGYYCS-VYDXJSESSA-N 2 2 350.507 0.966 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000659633500 493226480 /nfs/dbraw/zinc/22/64/80/493226480.db2.gz VMJIFZNFMBDJAR-UHFFFAOYSA-N 2 2 362.459 0.730 20 0 FCADLP CN(Cc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642050 493226959 /nfs/dbraw/zinc/22/69/59/493226959.db2.gz WQSOCWAZKDTKDH-MRXNPFEDSA-N 2 2 359.474 0.325 20 0 FCADLP CN(Cc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642050 493226961 /nfs/dbraw/zinc/22/69/61/493226961.db2.gz WQSOCWAZKDTKDH-MRXNPFEDSA-N 2 2 359.474 0.325 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642656 493227002 /nfs/dbraw/zinc/22/70/02/493227002.db2.gz RWJAUBXARRHQTR-RDJZCZTQSA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642656 493227005 /nfs/dbraw/zinc/22/70/05/493227005.db2.gz RWJAUBXARRHQTR-RDJZCZTQSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641490 493227018 /nfs/dbraw/zinc/22/70/18/493227018.db2.gz QLIJRCPVJGYYCS-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641490 493227021 /nfs/dbraw/zinc/22/70/21/493227021.db2.gz QLIJRCPVJGYYCS-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000659640770 493227024 /nfs/dbraw/zinc/22/70/24/493227024.db2.gz JGMBCJIRKDTDEI-KNCOVGOOSA-N 2 2 362.478 0.993 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)CCC(=O)N1C ZINC000659641993 493227230 /nfs/dbraw/zinc/22/72/30/493227230.db2.gz SUYSBYQZHUXBMJ-HOCLYGCPSA-N 2 2 362.478 0.852 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC(=O)N1C ZINC000659641391 493227504 /nfs/dbraw/zinc/22/75/04/493227504.db2.gz NOFVZBRWWISJCE-PWDMQXDWSA-N 2 2 374.489 0.852 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC(=O)N1C ZINC000659642629 493228200 /nfs/dbraw/zinc/22/82/00/493228200.db2.gz XUMVOLAQZLDFTR-BWJWTDLKSA-N 2 2 374.489 0.851 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643174 493228320 /nfs/dbraw/zinc/22/83/20/493228320.db2.gz SKPMTMMECJKLMM-INIZCTEOSA-N 3 2 367.538 0.070 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643174 493228322 /nfs/dbraw/zinc/22/83/22/493228322.db2.gz SKPMTMMECJKLMM-INIZCTEOSA-N 3 2 367.538 0.070 20 0 FCADLP CN(C[C@H]1CCCOC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642759 493228398 /nfs/dbraw/zinc/22/83/98/493228398.db2.gz HIOYUDFTRWIRMG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C[C@H]1CCCOC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642759 493228400 /nfs/dbraw/zinc/22/84/00/493228400.db2.gz HIOYUDFTRWIRMG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000672650694 493229216 /nfs/dbraw/zinc/22/92/16/493229216.db2.gz YYUVQXVVEJYUDG-YOEHRIQHSA-N 2 2 355.442 0.897 20 0 FCADLP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000666902416 493236505 /nfs/dbraw/zinc/23/65/05/493236505.db2.gz PZFCEQFGWCNKJJ-DLBZAZTESA-N 2 2 360.458 0.843 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000666938778 493239733 /nfs/dbraw/zinc/23/97/33/493239733.db2.gz FHMTZXYSWIJYKQ-IAGOWNOFSA-N 2 2 366.506 0.603 20 0 FCADLP CN(CCC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000666943175 493239875 /nfs/dbraw/zinc/23/98/75/493239875.db2.gz XUDNVDZIOVHZSU-UHFFFAOYSA-N 2 2 369.491 0.435 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672750983 493244724 /nfs/dbraw/zinc/24/47/24/493244724.db2.gz DPEFHASEXOTGGN-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672750983 493244727 /nfs/dbraw/zinc/24/47/27/493244727.db2.gz DPEFHASEXOTGGN-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)[nH+]c12 ZINC000672762462 493246213 /nfs/dbraw/zinc/24/62/13/493246213.db2.gz DXPVXBJGWMBAOY-UHFFFAOYSA-N 2 2 357.458 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)[nH+]c12 ZINC000672762462 493246217 /nfs/dbraw/zinc/24/62/17/493246217.db2.gz DXPVXBJGWMBAOY-UHFFFAOYSA-N 2 2 357.458 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)[nH+]c12 ZINC000672768338 493246925 /nfs/dbraw/zinc/24/69/25/493246925.db2.gz XJJXEOOVUXVFRI-UHFFFAOYSA-N 2 2 369.469 0.998 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000672765451 493247172 /nfs/dbraw/zinc/24/71/72/493247172.db2.gz KEUNFMCYPXYBMN-OAHLLOKOSA-N 2 2 355.442 0.654 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000672765451 493247174 /nfs/dbraw/zinc/24/71/74/493247174.db2.gz KEUNFMCYPXYBMN-OAHLLOKOSA-N 2 2 355.442 0.654 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)[nH+]c12 ZINC000672766354 493247308 /nfs/dbraw/zinc/24/73/08/493247308.db2.gz XADFBMPAGBTUEP-HOCLYGCPSA-N 2 2 373.457 0.137 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)[nH+]c12 ZINC000672766354 493247310 /nfs/dbraw/zinc/24/73/10/493247310.db2.gz XADFBMPAGBTUEP-HOCLYGCPSA-N 2 2 373.457 0.137 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)[nH+]c12 ZINC000672766353 493247897 /nfs/dbraw/zinc/24/78/97/493247897.db2.gz XADFBMPAGBTUEP-GOEBONIOSA-N 2 2 373.457 0.137 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)[nH+]c12 ZINC000672766353 493247898 /nfs/dbraw/zinc/24/78/98/493247898.db2.gz XADFBMPAGBTUEP-GOEBONIOSA-N 2 2 373.457 0.137 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659681867 493249184 /nfs/dbraw/zinc/24/91/84/493249184.db2.gz CKOYAUSKDUWHCG-TWMKSMIVSA-N 2 2 366.506 0.332 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N(CCO)C3CCOCC3)C2)CC1 ZINC000681968729 493257790 /nfs/dbraw/zinc/25/77/90/493257790.db2.gz YNKCCHFSTLPMCJ-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N(CCO)C3CCOCC3)C2)CC1 ZINC000681968729 493257791 /nfs/dbraw/zinc/25/77/91/493257791.db2.gz YNKCCHFSTLPMCJ-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000659699867 493260268 /nfs/dbraw/zinc/26/02/68/493260268.db2.gz WPJKYRMNUYNOID-UHFFFAOYSA-N 2 2 361.490 0.121 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659716715 493269615 /nfs/dbraw/zinc/26/96/15/493269615.db2.gz BYJLNYXQBLBCNR-GOEBONIOSA-N 2 2 359.474 0.932 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(C)CC[NH2+]CC3)ccn2)CC1 ZINC000667326944 493276710 /nfs/dbraw/zinc/27/67/10/493276710.db2.gz UTEXHSKVPXTFRE-UHFFFAOYSA-N 2 2 374.489 0.980 20 0 FCADLP CCn1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682229685 493281047 /nfs/dbraw/zinc/28/10/47/493281047.db2.gz LRWZATIBPFIJIT-INIZCTEOSA-N 2 2 362.478 0.468 20 0 FCADLP CCn1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682229685 493281049 /nfs/dbraw/zinc/28/10/49/493281049.db2.gz LRWZATIBPFIJIT-INIZCTEOSA-N 2 2 362.478 0.468 20 0 FCADLP Cc1nc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270563 493285060 /nfs/dbraw/zinc/28/50/60/493285060.db2.gz XOQSTGVGDIWQIW-ZDUSSCGKSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270563 493285061 /nfs/dbraw/zinc/28/50/61/493285061.db2.gz XOQSTGVGDIWQIW-ZDUSSCGKSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)c(N2CCCC2)[nH+]1 ZINC000673256162 493307863 /nfs/dbraw/zinc/30/78/63/493307863.db2.gz RPWQMFVVYLLSJW-UHFFFAOYSA-N 2 2 370.457 0.999 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000673283995 493311494 /nfs/dbraw/zinc/31/14/94/493311494.db2.gz VHYDVECRJAFPSW-FUHWJXTLSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000673283995 493311495 /nfs/dbraw/zinc/31/14/95/493311495.db2.gz VHYDVECRJAFPSW-FUHWJXTLSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000673290112 493313351 /nfs/dbraw/zinc/31/33/51/493313351.db2.gz ZLHHMHOHKXVIIE-QGTPRVQTSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000673290112 493313352 /nfs/dbraw/zinc/31/33/52/493313352.db2.gz ZLHHMHOHKXVIIE-QGTPRVQTSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000673290112 493313354 /nfs/dbraw/zinc/31/33/54/493313354.db2.gz ZLHHMHOHKXVIIE-QGTPRVQTSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000673290112 493313355 /nfs/dbraw/zinc/31/33/55/493313355.db2.gz ZLHHMHOHKXVIIE-QGTPRVQTSA-N 2 2 356.470 0.842 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1C ZINC000660163244 493331506 /nfs/dbraw/zinc/33/15/06/493331506.db2.gz BMNBJDOVNBKJNB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1C ZINC000660163244 493331509 /nfs/dbraw/zinc/33/15/09/493331509.db2.gz BMNBJDOVNBKJNB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(c2cnccn2)CC1 ZINC000683780621 493370947 /nfs/dbraw/zinc/37/09/47/493370947.db2.gz LRCBIZXPTJWKSQ-INIZCTEOSA-N 2 2 355.446 0.659 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(c2cnccn2)CC1 ZINC000683780621 493370948 /nfs/dbraw/zinc/37/09/48/493370948.db2.gz LRCBIZXPTJWKSQ-INIZCTEOSA-N 2 2 355.446 0.659 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660707712 493374734 /nfs/dbraw/zinc/37/47/34/493374734.db2.gz RIGGJZXPFURNMS-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660712406 493375333 /nfs/dbraw/zinc/37/53/33/493375333.db2.gz JTWOXLPUIISKBC-SJLPKXTDSA-N 3 2 365.522 0.271 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660712406 493375336 /nfs/dbraw/zinc/37/53/36/493375336.db2.gz JTWOXLPUIISKBC-SJLPKXTDSA-N 3 2 365.522 0.271 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000683880050 493376240 /nfs/dbraw/zinc/37/62/40/493376240.db2.gz PPOYFHPPNHZQJQ-GASCZTMLSA-N 2 2 365.499 0.656 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000683880050 493376244 /nfs/dbraw/zinc/37/62/44/493376244.db2.gz PPOYFHPPNHZQJQ-GASCZTMLSA-N 2 2 365.499 0.656 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668569992 493377021 /nfs/dbraw/zinc/37/70/21/493377021.db2.gz LQHWRYDIDCVSJF-RDJZCZTQSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000668569992 493377024 /nfs/dbraw/zinc/37/70/24/493377024.db2.gz LQHWRYDIDCVSJF-RDJZCZTQSA-N 2 2 355.442 0.779 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000674008004 493381892 /nfs/dbraw/zinc/38/18/92/493381892.db2.gz UTKJUUIWNRTWOC-MSOLQXFVSA-N 2 2 372.469 0.810 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000674008004 493381894 /nfs/dbraw/zinc/38/18/94/493381894.db2.gz UTKJUUIWNRTWOC-MSOLQXFVSA-N 2 2 372.469 0.810 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000683982604 493383854 /nfs/dbraw/zinc/38/38/54/493383854.db2.gz ONCAVGZNAJQUNF-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CN(C(=O)NC[C@H]1CCCC(=O)N1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684000056 493385873 /nfs/dbraw/zinc/38/58/73/493385873.db2.gz LWTKXHUVPZCVHM-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@H]1CCCC(=O)N1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684000056 493385876 /nfs/dbraw/zinc/38/58/76/493385876.db2.gz LWTKXHUVPZCVHM-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP CCc1csc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684026633 493388350 /nfs/dbraw/zinc/38/83/50/493388350.db2.gz ZUYWJPLRYDEILI-ZDUSSCGKSA-N 2 2 365.503 0.929 20 0 FCADLP CCc1csc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684026633 493388352 /nfs/dbraw/zinc/38/83/52/493388352.db2.gz ZUYWJPLRYDEILI-ZDUSSCGKSA-N 2 2 365.503 0.929 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643409 493389509 /nfs/dbraw/zinc/38/95/09/493389509.db2.gz IXZXCCHXYOUUJM-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643409 493389510 /nfs/dbraw/zinc/38/95/10/493389510.db2.gz IXZXCCHXYOUUJM-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668652030 493391715 /nfs/dbraw/zinc/39/17/15/493391715.db2.gz RDWIETATVXVVTE-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668652030 493391716 /nfs/dbraw/zinc/39/17/16/493391716.db2.gz RDWIETATVXVVTE-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)n1cnc2c1ncnc2N ZINC000668687011 493397384 /nfs/dbraw/zinc/39/73/84/493397384.db2.gz DLRCIBXWGMCCSR-ZDUSSCGKSA-N 2 2 374.493 0.454 20 0 FCADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)n1cnc2c1ncnc2N ZINC000668687011 493397388 /nfs/dbraw/zinc/39/73/88/493397388.db2.gz DLRCIBXWGMCCSR-ZDUSSCGKSA-N 2 2 374.493 0.454 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1S(N)(=O)=O ZINC000668690184 493397662 /nfs/dbraw/zinc/39/76/62/493397662.db2.gz UXKYATXGEHTZAW-UHFFFAOYSA-N 2 2 374.532 0.494 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1S(N)(=O)=O ZINC000668690184 493397664 /nfs/dbraw/zinc/39/76/64/493397664.db2.gz UXKYATXGEHTZAW-UHFFFAOYSA-N 2 2 374.532 0.494 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000674287363 493405432 /nfs/dbraw/zinc/40/54/32/493405432.db2.gz OYSQBHBTYONPPQ-HNNXBMFYSA-N 2 2 361.490 0.785 20 0 FCADLP O=C([C@H]1CC[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)O1)N1CC(n2cc[nH+]c2)C1 ZINC000668758839 493405964 /nfs/dbraw/zinc/40/59/64/493405964.db2.gz KUWIUHPOHNWFCD-IYBDPMFKSA-N 2 2 370.413 0.094 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361949 493408684 /nfs/dbraw/zinc/40/86/84/493408684.db2.gz XYEVDSCVUOOMEN-QZTJIDSGSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361949 493408686 /nfs/dbraw/zinc/40/86/86/493408686.db2.gz XYEVDSCVUOOMEN-QZTJIDSGSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000661131566 493410257 /nfs/dbraw/zinc/41/02/57/493410257.db2.gz VXYVUSVZEFHNOM-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1(C)C ZINC000661131566 493410258 /nfs/dbraw/zinc/41/02/58/493410258.db2.gz VXYVUSVZEFHNOM-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1C ZINC000674405980 493413382 /nfs/dbraw/zinc/41/33/82/493413382.db2.gz YKPWFBWXGUFEQS-HUUCEWRRSA-N 2 2 350.467 0.227 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000668830250 493417535 /nfs/dbraw/zinc/41/75/35/493417535.db2.gz XZLWFGRGRACWOV-KKUMJFAQSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000668830250 493417538 /nfs/dbraw/zinc/41/75/38/493417538.db2.gz XZLWFGRGRACWOV-KKUMJFAQSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000668829201 493417688 /nfs/dbraw/zinc/41/76/88/493417688.db2.gz LAPPUDDKTSKROC-YESZJQIVSA-N 2 2 368.522 0.448 20 0 FCADLP COC[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000661227075 493419471 /nfs/dbraw/zinc/41/94/71/493419471.db2.gz DEZKNFMTKPOSRS-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP COC[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000661227075 493419473 /nfs/dbraw/zinc/41/94/73/493419473.db2.gz DEZKNFMTKPOSRS-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@H]1C ZINC000684585520 493421487 /nfs/dbraw/zinc/42/14/87/493421487.db2.gz BETMTXUOOWCGHA-CYBMUJFWSA-N 2 2 357.524 0.776 20 0 FCADLP CC[N@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@H]1C ZINC000684585520 493421489 /nfs/dbraw/zinc/42/14/89/493421489.db2.gz BETMTXUOOWCGHA-CYBMUJFWSA-N 2 2 357.524 0.776 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661605228 493451109 /nfs/dbraw/zinc/45/11/09/493451109.db2.gz IQUWPLNHFWOVLX-LJQANCHMSA-N 2 2 361.486 0.986 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661605228 493451110 /nfs/dbraw/zinc/45/11/10/493451110.db2.gz IQUWPLNHFWOVLX-LJQANCHMSA-N 2 2 361.486 0.986 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601277 493451265 /nfs/dbraw/zinc/45/12/65/493451265.db2.gz QACJQZGYCQXNAH-IAGOWNOFSA-N 2 2 371.485 0.721 20 0 FCADLP O=C(CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601277 493451267 /nfs/dbraw/zinc/45/12/67/493451267.db2.gz QACJQZGYCQXNAH-IAGOWNOFSA-N 2 2 371.485 0.721 20 0 FCADLP CC[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000661760597 493464168 /nfs/dbraw/zinc/46/41/68/493464168.db2.gz ISWAGXPWLFTMTD-HNNXBMFYSA-N 2 2 357.462 0.790 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343052 493481635 /nfs/dbraw/zinc/48/16/35/493481635.db2.gz KQDGGBLCTRCRTM-FPCVCCKLSA-N 2 2 363.462 0.128 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343052 493481636 /nfs/dbraw/zinc/48/16/36/493481636.db2.gz KQDGGBLCTRCRTM-FPCVCCKLSA-N 2 2 363.462 0.128 20 0 FCADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(c2cnccn2)CC1 ZINC000675500439 493485450 /nfs/dbraw/zinc/48/54/50/493485450.db2.gz UJIFVXLRRCTKGS-UHFFFAOYSA-N 2 2 367.457 0.342 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444020 493492067 /nfs/dbraw/zinc/49/20/67/493492067.db2.gz PHJZUJSVYZPMLJ-RDJZCZTQSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444020 493492070 /nfs/dbraw/zinc/49/20/70/493492070.db2.gz PHJZUJSVYZPMLJ-RDJZCZTQSA-N 2 2 364.490 0.076 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000685501168 493497859 /nfs/dbraw/zinc/49/78/59/493497859.db2.gz UDUAEMLNNJBNOE-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000685501168 493497861 /nfs/dbraw/zinc/49/78/61/493497861.db2.gz UDUAEMLNNJBNOE-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP O=C(COc1ccc(F)cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253473 493501023 /nfs/dbraw/zinc/50/10/23/493501023.db2.gz YHSMEKLVWRJEEI-QGZVFWFLSA-N 2 2 363.433 0.870 20 0 FCADLP CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286722 493502281 /nfs/dbraw/zinc/50/22/81/493502281.db2.gz ZQILEXHNLMNJPR-UHFFFAOYSA-N 2 2 362.474 0.811 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(Cc2ccsc2)CC1 ZINC000662286828 493502375 /nfs/dbraw/zinc/50/23/75/493502375.db2.gz MRNKAIQDCHRIMP-UHFFFAOYSA-N 2 2 352.504 0.096 20 0 FCADLP CCOc1ccc(OCCNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286063 493502604 /nfs/dbraw/zinc/50/26/04/493502604.db2.gz SKKWDVCKOSMHQD-UHFFFAOYSA-N 2 2 351.447 0.284 20 0 FCADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286544 493502815 /nfs/dbraw/zinc/50/28/15/493502815.db2.gz JZAOBBGRUZSTAT-UHFFFAOYSA-N 2 2 368.865 0.441 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000669467864 493505198 /nfs/dbraw/zinc/50/51/98/493505198.db2.gz COYWRIDRYJDWEX-UONOGXRCSA-N 2 2 353.417 0.828 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000669467864 493505199 /nfs/dbraw/zinc/50/51/99/493505199.db2.gz COYWRIDRYJDWEX-UONOGXRCSA-N 2 2 353.417 0.828 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685645888 493507134 /nfs/dbraw/zinc/50/71/34/493507134.db2.gz UFKKSNIEMMSLOX-INIZCTEOSA-N 2 2 366.487 0.075 20 0 FCADLP c1c([C@@H]2CCC[N@@H+](Cc3nnnn3C3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338727 493507663 /nfs/dbraw/zinc/50/76/63/493507663.db2.gz VAOFKFWFDBXFKQ-CYBMUJFWSA-N 2 2 357.466 0.520 20 0 FCADLP c1c([C@@H]2CCC[N@H+](Cc3nnnn3C3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338727 493507664 /nfs/dbraw/zinc/50/76/64/493507664.db2.gz VAOFKFWFDBXFKQ-CYBMUJFWSA-N 2 2 357.466 0.520 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)[nH+]c12 ZINC000669511849 493508106 /nfs/dbraw/zinc/50/81/06/493508106.db2.gz JMWVCENYDBMOMV-QGZVFWFLSA-N 2 2 356.474 0.874 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)[nH+]c12 ZINC000669512088 493508456 /nfs/dbraw/zinc/50/84/56/493508456.db2.gz VKKMCSIOSUXSJY-HNNXBMFYSA-N 2 2 372.473 0.682 20 0 FCADLP C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000662365850 493509882 /nfs/dbraw/zinc/50/98/82/493509882.db2.gz YGSKETLJRLFGCW-ZDUSSCGKSA-N 2 2 355.446 0.886 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)([NH+]2CCOCC2)C1 ZINC000669571505 493511550 /nfs/dbraw/zinc/51/15/50/493511550.db2.gz VICNQERKXLQKFC-RSIVFMTNSA-N 2 2 354.495 0.825 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662525952 493523542 /nfs/dbraw/zinc/52/35/42/493523542.db2.gz MVDCHKOYIFZOMU-SFHVURJKSA-N 2 2 358.486 0.959 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662530788 493524200 /nfs/dbraw/zinc/52/42/00/493524200.db2.gz CKQLNGYFFQYTKR-VNHYZAJKSA-N 2 2 350.467 0.302 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662530788 493524202 /nfs/dbraw/zinc/52/42/02/493524202.db2.gz CKQLNGYFFQYTKR-VNHYZAJKSA-N 2 2 350.467 0.302 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662694029 493532802 /nfs/dbraw/zinc/53/28/02/493532802.db2.gz WEUSRFYNLSACDG-JKSUJKDBSA-N 2 2 368.503 0.698 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676252701 493535935 /nfs/dbraw/zinc/53/59/35/493535935.db2.gz RWUDPSYOTFGWQC-ZBFHGGJFSA-N 2 2 363.462 0.641 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676252701 493535936 /nfs/dbraw/zinc/53/59/36/493535936.db2.gz RWUDPSYOTFGWQC-ZBFHGGJFSA-N 2 2 363.462 0.641 20 0 FCADLP CCN1C(=O)CC[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H]1c1[nH+]ccn1C ZINC000662773189 493541103 /nfs/dbraw/zinc/54/11/03/493541103.db2.gz UKAMLUZEQJHPQA-JKQORVJESA-N 2 2 359.474 0.930 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662831037 493545447 /nfs/dbraw/zinc/54/54/47/493545447.db2.gz ANUUGLIFXODYJH-MRXNPFEDSA-N 2 2 357.401 0.772 20 0 FCADLP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901108 493550125 /nfs/dbraw/zinc/55/01/25/493550125.db2.gz SPYADMCEWNCIRB-HOCLYGCPSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901108 493550126 /nfs/dbraw/zinc/55/01/26/493550126.db2.gz SPYADMCEWNCIRB-HOCLYGCPSA-N 3 2 360.506 0.727 20 0 FCADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000662922791 493553845 /nfs/dbraw/zinc/55/38/45/493553845.db2.gz UYDKCEQYMXYOIT-UHFFFAOYSA-N 2 2 350.438 0.667 20 0 FCADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000662922791 493553846 /nfs/dbraw/zinc/55/38/46/493553846.db2.gz UYDKCEQYMXYOIT-UHFFFAOYSA-N 2 2 350.438 0.667 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813786 493572435 /nfs/dbraw/zinc/57/24/35/493572435.db2.gz HUDYONDCZSHSFO-NVXWUHKLSA-N 2 2 360.506 0.776 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813786 493572436 /nfs/dbraw/zinc/57/24/36/493572436.db2.gz HUDYONDCZSHSFO-NVXWUHKLSA-N 2 2 360.506 0.776 20 0 FCADLP CCOCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670497205 493574674 /nfs/dbraw/zinc/57/46/74/493574674.db2.gz NQNABERMOARPQL-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CCOCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670497205 493574677 /nfs/dbraw/zinc/57/46/77/493574677.db2.gz NQNABERMOARPQL-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000670503768 493575801 /nfs/dbraw/zinc/57/58/01/493575801.db2.gz LBDGPFDSJZYXNJ-KRWDZBQOSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000663181421 493576359 /nfs/dbraw/zinc/57/63/59/493576359.db2.gz MYYVMZJBQZHCIE-GJZGRUSLSA-N 2 2 357.414 0.330 20 0 FCADLP CC(C)Nc1nc(NCCC[NH+]2CCC(O)CC2)nc(NCCO)[nH+]1 ZINC000663402207 493587249 /nfs/dbraw/zinc/58/72/49/493587249.db2.gz JLDYYGXRUSNISD-UHFFFAOYSA-N 2 2 353.471 0.355 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NCCC[NH+]2CCC(O)CC2)n1 ZINC000663402207 493587253 /nfs/dbraw/zinc/58/72/53/493587253.db2.gz JLDYYGXRUSNISD-UHFFFAOYSA-N 2 2 353.471 0.355 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NCCC[NH+]2CCC(O)CC2)[nH+]1 ZINC000663402207 493587255 /nfs/dbraw/zinc/58/72/55/493587255.db2.gz JLDYYGXRUSNISD-UHFFFAOYSA-N 2 2 353.471 0.355 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000670709450 493589354 /nfs/dbraw/zinc/58/93/54/493589354.db2.gz LJVADXQPLJYFIF-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813280 493599664 /nfs/dbraw/zinc/59/96/64/493599664.db2.gz GJEZDKIXVRJINX-DLBZAZTESA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813280 493599666 /nfs/dbraw/zinc/59/96/66/493599666.db2.gz GJEZDKIXVRJINX-DLBZAZTESA-N 2 2 366.506 0.060 20 0 FCADLP CN(C(=O)C(=O)NCc1ccsc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670914926 493611294 /nfs/dbraw/zinc/61/12/94/493611294.db2.gz HTGASLZMSGGCEM-INIZCTEOSA-N 2 2 364.515 0.991 20 0 FCADLP CN(C(=O)C(=O)NCc1ccsc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670914926 493611298 /nfs/dbraw/zinc/61/12/98/493611298.db2.gz HTGASLZMSGGCEM-INIZCTEOSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913745 493611631 /nfs/dbraw/zinc/61/16/31/493611631.db2.gz KREZATZXDIORAQ-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913745 493611632 /nfs/dbraw/zinc/61/16/32/493611632.db2.gz KREZATZXDIORAQ-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000670983423 493619263 /nfs/dbraw/zinc/61/92/63/493619263.db2.gz OZCJBGWOSCXKIQ-MRXNPFEDSA-N 2 2 359.474 0.625 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000678079900 493633220 /nfs/dbraw/zinc/63/32/20/493633220.db2.gz FTUFPXJNNGBJNY-RDJZCZTQSA-N 2 2 351.447 0.571 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000678079900 493633221 /nfs/dbraw/zinc/63/32/21/493633221.db2.gz FTUFPXJNNGBJNY-RDJZCZTQSA-N 2 2 351.447 0.571 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671104180 493634383 /nfs/dbraw/zinc/63/43/83/493634383.db2.gz HPMMFJZWJUSGBK-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671104180 493634385 /nfs/dbraw/zinc/63/43/85/493634385.db2.gz HPMMFJZWJUSGBK-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671104180 493634388 /nfs/dbraw/zinc/63/43/88/493634388.db2.gz HPMMFJZWJUSGBK-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671104180 493634391 /nfs/dbraw/zinc/63/43/91/493634391.db2.gz HPMMFJZWJUSGBK-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104727 493634960 /nfs/dbraw/zinc/63/49/60/493634960.db2.gz KJDLQWVYTVVUKC-HZPDHXFCSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104727 493634961 /nfs/dbraw/zinc/63/49/61/493634961.db2.gz KJDLQWVYTVVUKC-HZPDHXFCSA-N 2 2 357.458 0.473 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cn2)CC1 ZINC000678123949 493635680 /nfs/dbraw/zinc/63/56/80/493635680.db2.gz BVXAHUHBSMESLH-GOSISDBHSA-N 2 2 360.506 0.525 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000671126480 493640011 /nfs/dbraw/zinc/64/00/11/493640011.db2.gz NSVJSYZNPINOSY-QGZVFWFLSA-N 2 2 373.501 0.965 20 0 FCADLP C[C@@H](CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C[NH+]1CCOCC1 ZINC000664190211 493643363 /nfs/dbraw/zinc/64/33/63/493643363.db2.gz GAVXEFMRYJOLHX-LSDHHAIUSA-N 2 2 367.494 0.747 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671153046 493644435 /nfs/dbraw/zinc/64/44/35/493644435.db2.gz UMJNRMGAXRCVBP-INIZCTEOSA-N 2 2 355.442 0.732 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000671170704 493645043 /nfs/dbraw/zinc/64/50/43/493645043.db2.gz FGDBOKKTRZVNHS-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2nc3c(s2)CCC3)CN1CC[NH+]1CCOCC1 ZINC000678497326 493646589 /nfs/dbraw/zinc/64/65/89/493646589.db2.gz RHPHHXUSOQAMKB-CYBMUJFWSA-N 2 2 350.488 0.655 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000664303254 493651380 /nfs/dbraw/zinc/65/13/80/493651380.db2.gz MXICFYUHHNEXNI-GOSISDBHSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671347319 493658102 /nfs/dbraw/zinc/65/81/02/493658102.db2.gz OKFHTVTXYIDBSB-INIZCTEOSA-N 2 2 363.462 0.103 20 0 FCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1OCC(=O)NC ZINC000678744345 493658264 /nfs/dbraw/zinc/65/82/64/493658264.db2.gz FYZSKKBNBFUBFH-INIZCTEOSA-N 2 2 362.474 0.626 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C)CO1 ZINC000664473005 493661895 /nfs/dbraw/zinc/66/18/95/493661895.db2.gz JHCWUKGQGPBSFG-JOCBIADPSA-N 2 2 368.522 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C)CO1 ZINC000664473005 493661897 /nfs/dbraw/zinc/66/18/97/493661897.db2.gz JHCWUKGQGPBSFG-JOCBIADPSA-N 2 2 368.522 0.773 20 0 FCADLP C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[C@@H]1C[N@H+](C)CCO1 ZINC000664489793 493662740 /nfs/dbraw/zinc/66/27/40/493662740.db2.gz YXSRNUUBUCZJOI-MELADBBJSA-N 2 2 353.467 0.498 20 0 FCADLP C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[C@@H]1C[N@@H+](C)CCO1 ZINC000664489793 493662741 /nfs/dbraw/zinc/66/27/41/493662741.db2.gz YXSRNUUBUCZJOI-MELADBBJSA-N 2 2 353.467 0.498 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394988 493664302 /nfs/dbraw/zinc/66/43/02/493664302.db2.gz QPRYRIPNMWMOGK-QAPCUYQASA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394988 493664305 /nfs/dbraw/zinc/66/43/05/493664305.db2.gz QPRYRIPNMWMOGK-QAPCUYQASA-N 2 2 358.486 0.917 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000671396588 493665236 /nfs/dbraw/zinc/66/52/36/493665236.db2.gz LZNSRBDAGXAJLQ-MAUKXSAKSA-N 2 2 356.470 0.671 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000671396588 493665238 /nfs/dbraw/zinc/66/52/38/493665238.db2.gz LZNSRBDAGXAJLQ-MAUKXSAKSA-N 2 2 356.470 0.671 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@H](C)CO1 ZINC000664756988 493681893 /nfs/dbraw/zinc/68/18/93/493681893.db2.gz YSFZTBBJIXUHST-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@H](C)CO1 ZINC000664756988 493681894 /nfs/dbraw/zinc/68/18/94/493681894.db2.gz YSFZTBBJIXUHST-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C)CO1 ZINC000664756988 493681896 /nfs/dbraw/zinc/68/18/96/493681896.db2.gz YSFZTBBJIXUHST-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664958752 493692249 /nfs/dbraw/zinc/69/22/49/493692249.db2.gz RCKOQIWPUDHQFA-UHFFFAOYSA-N 2 2 354.495 0.463 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664958752 493692250 /nfs/dbraw/zinc/69/22/50/493692250.db2.gz RCKOQIWPUDHQFA-UHFFFAOYSA-N 2 2 354.495 0.463 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000672007267 493723783 /nfs/dbraw/zinc/72/37/83/493723783.db2.gz GAZYKCOGJLNYMK-WBVHZDCISA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672010161 493723954 /nfs/dbraw/zinc/72/39/54/493723954.db2.gz AZEUIEAPWIMVCK-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672013949 493724900 /nfs/dbraw/zinc/72/49/00/493724900.db2.gz IGTCZOOEBVZORM-DZGCQCFKSA-N 2 2 362.478 0.071 20 0 FCADLP c1cnc(N2CC[NH+](CCCCNc3nc[nH+]c4c3OCCN4)CC2)nc1 ZINC000665698478 493730295 /nfs/dbraw/zinc/73/02/95/493730295.db2.gz MSDCLUBKJXXHGN-UHFFFAOYSA-N 2 2 370.461 0.198 20 0 FCADLP c1cnc(N2CC[NH+](CCCCNc3[nH+]cnc4c3OCCN4)CC2)nc1 ZINC000665698478 493730297 /nfs/dbraw/zinc/73/02/97/493730297.db2.gz MSDCLUBKJXXHGN-UHFFFAOYSA-N 2 2 370.461 0.198 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877655 493733683 /nfs/dbraw/zinc/73/36/83/493733683.db2.gz LPJCXOIKFOUSTN-WMZOPIPTSA-N 2 2 368.522 0.632 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CCO)C3CCOCC3)C2)CC1 ZINC000680877655 493733687 /nfs/dbraw/zinc/73/36/87/493733687.db2.gz LPJCXOIKFOUSTN-WMZOPIPTSA-N 2 2 368.522 0.632 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[N@H+](C)C1CC1 ZINC000672207034 493742866 /nfs/dbraw/zinc/74/28/66/493742866.db2.gz DPTHYPGOQBZJPE-AWEZNQCLSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[N@@H+](C)C1CC1 ZINC000672207034 493742867 /nfs/dbraw/zinc/74/28/67/493742867.db2.gz DPTHYPGOQBZJPE-AWEZNQCLSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000681113287 493745639 /nfs/dbraw/zinc/74/56/39/493745639.db2.gz MPHJGRSLDFNBDW-CQSZACIVSA-N 2 2 358.442 0.425 20 0 FCADLP COCC[NH+](CCOC)C1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000672256681 493746522 /nfs/dbraw/zinc/74/65/22/493746522.db2.gz DSQPEHCXVKNRJH-KRWDZBQOSA-N 2 2 370.538 0.208 20 0 FCADLP CN(C(=O)N[C@H]1CCCN(C)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216739 493750921 /nfs/dbraw/zinc/75/09/21/493750921.db2.gz JOOZLYFELLRRJE-HOTGVXAUSA-N 2 2 351.495 0.417 20 0 FCADLP CN(C(=O)N[C@H]1CCCN(C)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216739 493750922 /nfs/dbraw/zinc/75/09/22/493750922.db2.gz JOOZLYFELLRRJE-HOTGVXAUSA-N 2 2 351.495 0.417 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218314 493752240 /nfs/dbraw/zinc/75/22/40/493752240.db2.gz KTGMBLPJMZIOGU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218314 493752242 /nfs/dbraw/zinc/75/22/42/493752242.db2.gz KTGMBLPJMZIOGU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672306040 493752941 /nfs/dbraw/zinc/75/29/41/493752941.db2.gz OTVKBMHOCKYAFQ-HOTGVXAUSA-N 2 2 357.458 0.377 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306040 493752944 /nfs/dbraw/zinc/75/29/44/493752944.db2.gz OTVKBMHOCKYAFQ-HOTGVXAUSA-N 2 2 357.458 0.377 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000672319639 493756277 /nfs/dbraw/zinc/75/62/77/493756277.db2.gz YIMLCKKSDICANF-NXOAAHMSSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000672319639 493756278 /nfs/dbraw/zinc/75/62/78/493756278.db2.gz YIMLCKKSDICANF-NXOAAHMSSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698697 533991781 /nfs/dbraw/zinc/99/17/81/533991781.db2.gz NUQIUNZJDJLVKP-HOTGVXAUSA-N 2 2 374.489 0.139 20 0 FCADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698697 533991791 /nfs/dbraw/zinc/99/17/91/533991791.db2.gz NUQIUNZJDJLVKP-HOTGVXAUSA-N 2 2 374.489 0.139 20 0 FCADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178786685 534344505 /nfs/dbraw/zinc/34/45/05/534344505.db2.gz TTZZVWMHAVBRNJ-FQEVSTJZSA-N 2 2 371.529 0.705 20 0 FCADLP CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000442851403 534759050 /nfs/dbraw/zinc/75/90/50/534759050.db2.gz QYDBKANUBYDJLS-HNAYVOBHSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000442851403 534759054 /nfs/dbraw/zinc/75/90/54/534759054.db2.gz QYDBKANUBYDJLS-HNAYVOBHSA-N 2 2 366.506 0.299 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)c2)CC1 ZINC000424171955 534794312 /nfs/dbraw/zinc/79/43/12/534794312.db2.gz MOOMBCCAZWIKOY-KDOFPFPSSA-N 2 2 360.458 0.666 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410844226 527824108 /nfs/dbraw/zinc/82/41/08/527824108.db2.gz OPXQGQPLOLESSH-WBVHZDCISA-N 2 2 360.458 0.862 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410844226 527824111 /nfs/dbraw/zinc/82/41/11/527824111.db2.gz OPXQGQPLOLESSH-WBVHZDCISA-N 2 2 360.458 0.862 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000410717243 527957539 /nfs/dbraw/zinc/95/75/39/527957539.db2.gz UOHPKLQITKSSPI-KRWDZBQOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000410717243 527957543 /nfs/dbraw/zinc/95/75/43/527957543.db2.gz UOHPKLQITKSSPI-KRWDZBQOSA-N 2 2 368.522 0.354 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[C@@H]1C ZINC000410705791 527962420 /nfs/dbraw/zinc/96/24/20/527962420.db2.gz WLPRJNOLAHKVEE-PMPSAXMXSA-N 2 2 368.522 0.231 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[C@@H]1C ZINC000410705791 527962426 /nfs/dbraw/zinc/96/24/26/527962426.db2.gz WLPRJNOLAHKVEE-PMPSAXMXSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@@H]1C ZINC000410705791 527962430 /nfs/dbraw/zinc/96/24/30/527962430.db2.gz WLPRJNOLAHKVEE-PMPSAXMXSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@@H]1C ZINC000410705791 527962435 /nfs/dbraw/zinc/96/24/35/527962435.db2.gz WLPRJNOLAHKVEE-PMPSAXMXSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410856648 528121267 /nfs/dbraw/zinc/12/12/67/528121267.db2.gz YZULLQFCRGPHBQ-UHFFFAOYSA-N 2 2 366.428 0.883 20 0 FCADLP CCCN1C[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000412226135 528298807 /nfs/dbraw/zinc/29/88/07/528298807.db2.gz HOWZAWMFJJRDHI-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000412226135 528298813 /nfs/dbraw/zinc/29/88/13/528298813.db2.gz HOWZAWMFJJRDHI-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410798261 528446176 /nfs/dbraw/zinc/44/61/76/528446176.db2.gz AROOFBWICNVZJO-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC[N@@H+]1C ZINC000410939227 528712699 /nfs/dbraw/zinc/71/26/99/528712699.db2.gz RUZSBAIJOZMYLB-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC[N@H+]1C ZINC000410939227 528712711 /nfs/dbraw/zinc/71/27/11/528712711.db2.gz RUZSBAIJOZMYLB-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC[NH+]1C ZINC000410939227 528712714 /nfs/dbraw/zinc/71/27/14/528712714.db2.gz RUZSBAIJOZMYLB-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC[NH+]1C ZINC000410939227 528712717 /nfs/dbraw/zinc/71/27/17/528712717.db2.gz RUZSBAIJOZMYLB-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000410603972 528713658 /nfs/dbraw/zinc/71/36/58/528713658.db2.gz DFWPAWOSEWIBCA-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000410603972 528713661 /nfs/dbraw/zinc/71/36/61/528713661.db2.gz DFWPAWOSEWIBCA-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410888165 529114427 /nfs/dbraw/zinc/11/44/27/529114427.db2.gz URMDGYNHZZHTRR-HNNXBMFYSA-N 2 2 364.494 0.414 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000410884449 529350818 /nfs/dbraw/zinc/35/08/18/529350818.db2.gz CKLJKRJDCXFNRU-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000410479078 529352547 /nfs/dbraw/zinc/35/25/47/529352547.db2.gz RDAVSZHKXJXQHS-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000410479078 529352552 /nfs/dbraw/zinc/35/25/52/529352552.db2.gz RDAVSZHKXJXQHS-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@@H+]1C[C@H](C)O ZINC000410515777 529353401 /nfs/dbraw/zinc/35/34/01/529353401.db2.gz CFWGVFBJPHEMEY-GVDBMIGSSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@H+]1C[C@H](C)O ZINC000410515777 529353403 /nfs/dbraw/zinc/35/34/03/529353403.db2.gz CFWGVFBJPHEMEY-GVDBMIGSSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C[C@H](C)O ZINC000410515777 529353405 /nfs/dbraw/zinc/35/34/05/529353405.db2.gz CFWGVFBJPHEMEY-GVDBMIGSSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C[C@H](C)O ZINC000410515777 529353407 /nfs/dbraw/zinc/35/34/07/529353407.db2.gz CFWGVFBJPHEMEY-GVDBMIGSSA-N 2 2 368.522 0.089 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419909417 535159007 /nfs/dbraw/zinc/15/90/07/535159007.db2.gz LPCOVRXMIHUVCD-UHFFFAOYSA-N 2 2 364.465 0.976 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419909417 535159011 /nfs/dbraw/zinc/15/90/11/535159011.db2.gz LPCOVRXMIHUVCD-UHFFFAOYSA-N 2 2 364.465 0.976 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)C1(C)C ZINC000423794044 535438787 /nfs/dbraw/zinc/43/87/87/535438787.db2.gz XKRFINQXIHJFNQ-HBUWYVDXSA-N 2 2 355.479 0.615 20 0 FCADLP CC[NH2+]CCNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415016510 535473159 /nfs/dbraw/zinc/47/31/59/535473159.db2.gz COHGZPOBFVTGFX-UHFFFAOYSA-N 2 2 369.491 0.354 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000459824438 535543123 /nfs/dbraw/zinc/54/31/23/535543123.db2.gz WEMXGVNXFZFTOE-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000423733384 535604182 /nfs/dbraw/zinc/60/41/82/535604182.db2.gz NJNBWLJRHCVSIA-SOUVJXGZSA-N 2 2 362.478 0.201 20 0 FCADLP CCN1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000415204457 535608941 /nfs/dbraw/zinc/60/89/41/535608941.db2.gz NXSHVENCHINOAH-INIZCTEOSA-N 2 2 370.457 0.973 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423360477 535701751 /nfs/dbraw/zinc/70/17/51/535701751.db2.gz FOQOFHVGWJPWNN-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425395752 535774692 /nfs/dbraw/zinc/77/46/92/535774692.db2.gz XYUPADBMRHBPNG-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425395752 535774696 /nfs/dbraw/zinc/77/46/96/535774696.db2.gz XYUPADBMRHBPNG-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423712575 535920667 /nfs/dbraw/zinc/92/06/67/535920667.db2.gz UEOZQYBVNUHIHQ-UHFFFAOYSA-N 2 2 353.488 0.846 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000437920018 536038360 /nfs/dbraw/zinc/03/83/60/536038360.db2.gz FEYKMLICZLREBI-GOSISDBHSA-N 2 2 350.463 0.953 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415301800 536369460 /nfs/dbraw/zinc/36/94/60/536369460.db2.gz QOQPGKCWLKBHGT-QGZVFWFLSA-N 2 2 359.474 0.193 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000415082707 536469857 /nfs/dbraw/zinc/46/98/57/536469857.db2.gz OOIPMCZZPOBRDE-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000131198000 546568598 /nfs/dbraw/zinc/56/85/98/546568598.db2.gz FTUFPXJNNGBJNY-NVXWUHKLSA-N 2 2 351.447 0.571 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000131198000 546568607 /nfs/dbraw/zinc/56/86/07/546568607.db2.gz FTUFPXJNNGBJNY-NVXWUHKLSA-N 2 2 351.447 0.571 20 0 FCADLP C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000131659097 546570150 /nfs/dbraw/zinc/57/01/50/546570150.db2.gz OWOAWDFHKNSIRK-JKSUJKDBSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000131659097 546570154 /nfs/dbraw/zinc/57/01/54/546570154.db2.gz OWOAWDFHKNSIRK-JKSUJKDBSA-N 2 2 356.511 0.705 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940309 546872407 /nfs/dbraw/zinc/87/24/07/546872407.db2.gz STGFSVXQZJLKCR-GOEBONIOSA-N 2 2 368.503 0.052 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940309 546872411 /nfs/dbraw/zinc/87/24/11/546872411.db2.gz STGFSVXQZJLKCR-GOEBONIOSA-N 2 2 368.503 0.052 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371304976 546894019 /nfs/dbraw/zinc/89/40/19/546894019.db2.gz WKGSCZWAUCRUDX-GJZGRUSLSA-N 2 2 353.511 0.569 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371304976 546894021 /nfs/dbraw/zinc/89/40/21/546894021.db2.gz WKGSCZWAUCRUDX-GJZGRUSLSA-N 2 2 353.511 0.569 20 0 FCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000641803581 546960206 /nfs/dbraw/zinc/96/02/06/546960206.db2.gz TXYALXZDFJKESZ-HOTGVXAUSA-N 3 2 352.523 0.853 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3([NH3+])CCC3)c2)CC1 ZINC000649308205 547074236 /nfs/dbraw/zinc/07/42/36/547074236.db2.gz SEMUHELBERGJET-UHFFFAOYSA-N 2 2 352.460 0.443 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000550134893 547079074 /nfs/dbraw/zinc/07/90/74/547079074.db2.gz HXKWNYILPVGMMR-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000550689201 547096921 /nfs/dbraw/zinc/09/69/21/547096921.db2.gz UUPICXHXPCNIRN-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000550689201 547096923 /nfs/dbraw/zinc/09/69/23/547096923.db2.gz UUPICXHXPCNIRN-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP COC[C@H](C)CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552178595 547193447 /nfs/dbraw/zinc/19/34/47/547193447.db2.gz FUCWMFNATLXMNJ-CQSZACIVSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000552709968 547227300 /nfs/dbraw/zinc/22/73/00/547227300.db2.gz RIWLTTXRIMTNTM-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000552709968 547227304 /nfs/dbraw/zinc/22/73/04/547227304.db2.gz RIWLTTXRIMTNTM-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2)CC1 ZINC000553255494 547263499 /nfs/dbraw/zinc/26/34/99/547263499.db2.gz HMRIRQVOOUUIKA-GOSISDBHSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC000553369936 547274181 /nfs/dbraw/zinc/27/41/81/547274181.db2.gz HQBWITCNQYCHSG-CQSZACIVSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC000553369936 547274184 /nfs/dbraw/zinc/27/41/84/547274184.db2.gz HQBWITCNQYCHSG-CQSZACIVSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC000553369936 547274189 /nfs/dbraw/zinc/27/41/89/547274189.db2.gz HQBWITCNQYCHSG-CQSZACIVSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000553369936 547274190 /nfs/dbraw/zinc/27/41/90/547274190.db2.gz HQBWITCNQYCHSG-CQSZACIVSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000553619732 547294330 /nfs/dbraw/zinc/29/43/30/547294330.db2.gz ZZOJAFPSOYDDSO-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP CC1(C)CC(NC(=O)N(CCO)CC[NH+]2CCOCC2)CC(C)(C)[NH2+]1 ZINC000162114052 547389375 /nfs/dbraw/zinc/38/93/75/547389375.db2.gz ORLKNXOLOUZVDA-UHFFFAOYSA-N 2 2 356.511 0.632 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401817 598837157 /nfs/dbraw/zinc/83/71/57/598837157.db2.gz YMGDOVMMNJVWQZ-ZIAGYGMSSA-N 2 2 359.482 0.959 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401817 598837159 /nfs/dbraw/zinc/83/71/59/598837159.db2.gz YMGDOVMMNJVWQZ-ZIAGYGMSSA-N 2 2 359.482 0.959 20 0 FCADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738410339 599102148 /nfs/dbraw/zinc/10/21/48/599102148.db2.gz JYQBADIHLYQMOS-QGZVFWFLSA-N 2 2 357.462 0.363 20 0 FCADLP C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736266915 598523300 /nfs/dbraw/zinc/52/33/00/598523300.db2.gz QATXCTXTCSHDFQ-MCIONIFRSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000736266915 598523301 /nfs/dbraw/zinc/52/33/01/598523301.db2.gz QATXCTXTCSHDFQ-MCIONIFRSA-N 2 2 359.482 0.815 20 0 FCADLP O=C1[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823512615 606305485 /nfs/dbraw/zinc/30/54/85/606305485.db2.gz PPTQKKICJDJJRZ-JQWIXIFHSA-N 2 2 370.442 0.835 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625085 607072574 /nfs/dbraw/zinc/07/25/74/607072574.db2.gz FIUPUDJBERBHAF-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625085 607072575 /nfs/dbraw/zinc/07/25/75/607072575.db2.gz FIUPUDJBERBHAF-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625085 607072576 /nfs/dbraw/zinc/07/25/76/607072576.db2.gz FIUPUDJBERBHAF-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625085 607072577 /nfs/dbraw/zinc/07/25/77/607072577.db2.gz FIUPUDJBERBHAF-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825458185 608020763 /nfs/dbraw/zinc/02/07/63/608020763.db2.gz ABCJEGOXRZUQFU-GFCCVEGCSA-N 2 2 361.454 0.555 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1 ZINC000825458185 608020764 /nfs/dbraw/zinc/02/07/64/608020764.db2.gz ABCJEGOXRZUQFU-GFCCVEGCSA-N 2 2 361.454 0.555 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000825001244 608450959 /nfs/dbraw/zinc/45/09/59/608450959.db2.gz XXLULOYGFGPYEJ-KGLIPLIRSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000825001244 608450961 /nfs/dbraw/zinc/45/09/61/608450961.db2.gz XXLULOYGFGPYEJ-KGLIPLIRSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000825001244 608450963 /nfs/dbraw/zinc/45/09/63/608450963.db2.gz XXLULOYGFGPYEJ-KGLIPLIRSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000825001244 608450964 /nfs/dbraw/zinc/45/09/64/608450964.db2.gz XXLULOYGFGPYEJ-KGLIPLIRSA-N 2 2 357.466 0.652 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899058309 665925613 /nfs/dbraw/zinc/92/56/13/665925613.db2.gz QFSRRIJZGWTWID-INIZCTEOSA-N 2 2 355.479 0.345 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899058309 665925614 /nfs/dbraw/zinc/92/56/14/665925614.db2.gz QFSRRIJZGWTWID-INIZCTEOSA-N 2 2 355.479 0.345 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969957222 663211751 /nfs/dbraw/zinc/21/17/51/663211751.db2.gz CHOUADWZWJDFQG-PSTGCABASA-N 2 2 350.463 0.947 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969957222 663211752 /nfs/dbraw/zinc/21/17/52/663211752.db2.gz CHOUADWZWJDFQG-PSTGCABASA-N 2 2 350.463 0.947 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891412047 663385682 /nfs/dbraw/zinc/38/56/82/663385682.db2.gz UQZTWRPSTAFPBU-HLLBOEOZSA-N 2 2 354.520 0.730 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891537915 663412768 /nfs/dbraw/zinc/41/27/68/663412768.db2.gz NPBDDSPFFMWZAP-HUUCEWRRSA-N 2 2 358.508 0.031 20 0 FCADLP CCn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971780546 663428181 /nfs/dbraw/zinc/42/81/81/663428181.db2.gz DNSDZDSNAKIHOD-IJEWVQPXSA-N 2 2 350.467 0.050 20 0 FCADLP CCn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971780546 663428182 /nfs/dbraw/zinc/42/81/82/663428182.db2.gz DNSDZDSNAKIHOD-IJEWVQPXSA-N 2 2 350.467 0.050 20 0 FCADLP CCn1nncc1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971780546 663428183 /nfs/dbraw/zinc/42/81/83/663428183.db2.gz DNSDZDSNAKIHOD-IJEWVQPXSA-N 2 2 350.467 0.050 20 0 FCADLP CCn1nncc1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971780546 663428185 /nfs/dbraw/zinc/42/81/85/663428185.db2.gz DNSDZDSNAKIHOD-IJEWVQPXSA-N 2 2 350.467 0.050 20 0 FCADLP C[NH2+]CCOCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892282197 663521114 /nfs/dbraw/zinc/52/11/14/663521114.db2.gz LXZCQYLIKBJXNK-UHFFFAOYSA-N 2 2 353.492 0.670 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCCCCC2)CC[N@@H+]1C ZINC001038264682 663607317 /nfs/dbraw/zinc/60/73/17/663607317.db2.gz DXXDJHSFPQAIMZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCCCCC2)CC[N@H+]1C ZINC001038264682 663607318 /nfs/dbraw/zinc/60/73/18/663607318.db2.gz DXXDJHSFPQAIMZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCCCCC2)CC[NH+]1C ZINC001038264682 663607319 /nfs/dbraw/zinc/60/73/19/663607319.db2.gz DXXDJHSFPQAIMZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCCCCC2)CC[NH+]1C ZINC001038264682 663607321 /nfs/dbraw/zinc/60/73/21/663607321.db2.gz DXXDJHSFPQAIMZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001025000991 664035010 /nfs/dbraw/zinc/03/50/10/664035010.db2.gz NEBAQRVAUIAVGP-BPLDGKMQSA-N 2 2 350.467 0.303 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001025000991 664035012 /nfs/dbraw/zinc/03/50/12/664035012.db2.gz NEBAQRVAUIAVGP-BPLDGKMQSA-N 2 2 350.467 0.303 20 0 FCADLP C[NH+]1CCC(CNC(=O)N[C@]2(C)CCNC2=O)([NH+]2CCCCC2)CC1 ZINC000893268196 664224746 /nfs/dbraw/zinc/22/47/46/664224746.db2.gz SKRCESPVFNQKSK-QGZVFWFLSA-N 2 2 351.495 0.515 20 0 FCADLP CCn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965371 664479194 /nfs/dbraw/zinc/47/91/94/664479194.db2.gz ACRLTNXMDZJIMN-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027965371 664479197 /nfs/dbraw/zinc/47/91/97/664479197.db2.gz ACRLTNXMDZJIMN-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027965371 664479199 /nfs/dbraw/zinc/47/91/99/664479199.db2.gz ACRLTNXMDZJIMN-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027965371 664479201 /nfs/dbraw/zinc/47/92/01/664479201.db2.gz ACRLTNXMDZJIMN-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709600 664944187 /nfs/dbraw/zinc/94/41/87/664944187.db2.gz MKZKEXYJKYOOGN-BBWFWOEESA-N 2 2 357.470 0.664 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709600 664944188 /nfs/dbraw/zinc/94/41/88/664944188.db2.gz MKZKEXYJKYOOGN-BBWFWOEESA-N 2 2 357.470 0.664 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957729 664961721 /nfs/dbraw/zinc/96/17/21/664961721.db2.gz AHGYUBBALQMIMD-GJZGRUSLSA-N 2 2 353.488 0.694 20 0 FCADLP O=C(CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957729 664961722 /nfs/dbraw/zinc/96/17/22/664961722.db2.gz AHGYUBBALQMIMD-GJZGRUSLSA-N 2 2 353.488 0.694 20 0 FCADLP C[C@H]([NH2+]Cc1cnsn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112199 664986440 /nfs/dbraw/zinc/98/64/40/664986440.db2.gz XMHZEDFIZJUCJE-DVOMOZLQSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@H]([NH2+]Cc1cnsn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112199 664986443 /nfs/dbraw/zinc/98/64/43/664986443.db2.gz XMHZEDFIZJUCJE-DVOMOZLQSA-N 2 2 367.519 0.974 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984014490 665013079 /nfs/dbraw/zinc/01/30/79/665013079.db2.gz LLMICNJAHJHZTJ-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984014490 665013083 /nfs/dbraw/zinc/01/30/83/665013083.db2.gz LLMICNJAHJHZTJ-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000896593556 665098496 /nfs/dbraw/zinc/09/84/96/665098496.db2.gz BUTUZTAEJQWAOV-CABCVRRESA-N 2 2 367.519 0.945 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC000896593556 665098499 /nfs/dbraw/zinc/09/84/99/665098499.db2.gz BUTUZTAEJQWAOV-CABCVRRESA-N 2 2 367.519 0.945 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnon3)CC2)O1 ZINC001029973772 665222140 /nfs/dbraw/zinc/22/21/40/665222140.db2.gz NCWBJEKJAPBBHX-CZUORRHYSA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnon3)CC2)O1 ZINC001029973772 665222141 /nfs/dbraw/zinc/22/21/41/665222141.db2.gz NCWBJEKJAPBBHX-CZUORRHYSA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cnon3)CC2)O1 ZINC001029973772 665222142 /nfs/dbraw/zinc/22/21/42/665222142.db2.gz NCWBJEKJAPBBHX-CZUORRHYSA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3cnon3)CC2)O1 ZINC001029973772 665222143 /nfs/dbraw/zinc/22/21/43/665222143.db2.gz NCWBJEKJAPBBHX-CZUORRHYSA-N 2 2 351.451 0.459 20 0 FCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515669 665298638 /nfs/dbraw/zinc/29/86/38/665298638.db2.gz XYOXWWIXHMCQOB-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000897515669 665298639 /nfs/dbraw/zinc/29/86/39/665298639.db2.gz XYOXWWIXHMCQOB-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000897515669 665298642 /nfs/dbraw/zinc/29/86/42/665298642.db2.gz XYOXWWIXHMCQOB-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@H]1CCC[NH+]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000897515669 665298643 /nfs/dbraw/zinc/29/86/43/665298643.db2.gz XYOXWWIXHMCQOB-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000907519130 666141520 /nfs/dbraw/zinc/14/15/20/666141520.db2.gz OVCOYTNOUVGTDE-MRLCAUJQSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000907519130 666141521 /nfs/dbraw/zinc/14/15/21/666141521.db2.gz OVCOYTNOUVGTDE-MRLCAUJQSA-N 2 2 353.507 0.791 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911561028 666366076 /nfs/dbraw/zinc/36/60/76/666366076.db2.gz FYZYNBFWYHIDNE-MRXNPFEDSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000912239657 666396154 /nfs/dbraw/zinc/39/61/54/666396154.db2.gz YLHDNNHMZZHMOP-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000912239657 666396157 /nfs/dbraw/zinc/39/61/57/666396157.db2.gz YLHDNNHMZZHMOP-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992695 666490557 /nfs/dbraw/zinc/49/05/57/666490557.db2.gz KTXWWHULORPCFQ-APWZRJJASA-N 2 2 353.507 0.840 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992695 666490559 /nfs/dbraw/zinc/49/05/59/666490559.db2.gz KTXWWHULORPCFQ-APWZRJJASA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000912992695 666490560 /nfs/dbraw/zinc/49/05/60/666490560.db2.gz KTXWWHULORPCFQ-APWZRJJASA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000912992695 666490561 /nfs/dbraw/zinc/49/05/61/666490561.db2.gz KTXWWHULORPCFQ-APWZRJJASA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031868938 666537932 /nfs/dbraw/zinc/53/79/32/666537932.db2.gz NCOBHZRWMIXVKU-UAGQMJEPSA-N 2 2 357.470 0.662 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000730906926 666801090 /nfs/dbraw/zinc/80/10/90/666801090.db2.gz BRDQUGAQCIAZPN-HNNXBMFYSA-N 2 2 356.511 0.896 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000730906926 666801094 /nfs/dbraw/zinc/80/10/94/666801094.db2.gz BRDQUGAQCIAZPN-HNNXBMFYSA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000447887587 666825371 /nfs/dbraw/zinc/82/53/71/666825371.db2.gz DZCABHMENNEOIZ-BDXSIMOUSA-N 2 2 351.491 0.950 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000447887587 666825373 /nfs/dbraw/zinc/82/53/73/666825373.db2.gz DZCABHMENNEOIZ-BDXSIMOUSA-N 2 2 351.491 0.950 20 0 FCADLP CCCC1N=NC(=S)N1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732779190 666899594 /nfs/dbraw/zinc/89/95/94/666899594.db2.gz AAFCRRZYHVAWTQ-ZDUSSCGKSA-N 2 2 366.535 0.804 20 0 FCADLP CCCC1N=NC(=S)N1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732779190 666899598 /nfs/dbraw/zinc/89/95/98/666899598.db2.gz AAFCRRZYHVAWTQ-ZDUSSCGKSA-N 2 2 366.535 0.804 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734279016 666959414 /nfs/dbraw/zinc/95/94/14/666959414.db2.gz QMVSZXOOTZXMKG-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP COC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734284072 666960996 /nfs/dbraw/zinc/96/09/96/666960996.db2.gz PWALGINISHBZIU-AWEZNQCLSA-N 2 2 353.467 0.249 20 0 FCADLP COC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734284072 666960997 /nfs/dbraw/zinc/96/09/97/666960997.db2.gz PWALGINISHBZIU-AWEZNQCLSA-N 2 2 353.467 0.249 20 0 FCADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)no1 ZINC000996711702 666963235 /nfs/dbraw/zinc/96/32/35/666963235.db2.gz KOEJJSPYSRDZQD-TZMCWYRMSA-N 2 2 351.451 0.432 20 0 FCADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)no1 ZINC000996711702 666963238 /nfs/dbraw/zinc/96/32/38/666963238.db2.gz KOEJJSPYSRDZQD-TZMCWYRMSA-N 2 2 351.451 0.432 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224707 667064717 /nfs/dbraw/zinc/06/47/17/667064717.db2.gz SRMYHDLISKNARC-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000917224707 667064722 /nfs/dbraw/zinc/06/47/22/667064722.db2.gz SRMYHDLISKNARC-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000998983126 667224953 /nfs/dbraw/zinc/22/49/53/667224953.db2.gz JNNPQIKMDAJLSB-BLYZHGLHSA-N 2 2 369.897 0.872 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000998983126 667224958 /nfs/dbraw/zinc/22/49/58/667224958.db2.gz JNNPQIKMDAJLSB-BLYZHGLHSA-N 2 2 369.897 0.872 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001034674100 667763841 /nfs/dbraw/zinc/76/38/41/667763841.db2.gz DIWLTLUZBWDRGY-NMFUWQPSSA-N 2 2 350.467 0.349 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001034674100 667763842 /nfs/dbraw/zinc/76/38/42/667763842.db2.gz DIWLTLUZBWDRGY-NMFUWQPSSA-N 2 2 350.467 0.349 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCc3ccns3)CCO2)CC[N@@H+]1C ZINC001035373957 667777424 /nfs/dbraw/zinc/77/74/24/667777424.db2.gz ZQNSQDUURGPAHY-IJEWVQPXSA-N 2 2 352.504 0.843 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCc3ccns3)CCO2)CC[N@H+]1C ZINC001035373957 667777428 /nfs/dbraw/zinc/77/74/28/667777428.db2.gz ZQNSQDUURGPAHY-IJEWVQPXSA-N 2 2 352.504 0.843 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCc3ccns3)CCO2)CC[NH+]1C ZINC001035373957 667777431 /nfs/dbraw/zinc/77/74/31/667777431.db2.gz ZQNSQDUURGPAHY-IJEWVQPXSA-N 2 2 352.504 0.843 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCc3ccns3)CCO2)CC[NH+]1C ZINC001035373957 667777433 /nfs/dbraw/zinc/77/74/33/667777433.db2.gz ZQNSQDUURGPAHY-IJEWVQPXSA-N 2 2 352.504 0.843 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000074165502 667809029 /nfs/dbraw/zinc/80/90/29/667809029.db2.gz SIXBWYUNZVMEGH-HNNXBMFYSA-N 2 2 360.524 0.279 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000074165502 667809033 /nfs/dbraw/zinc/80/90/33/667809033.db2.gz SIXBWYUNZVMEGH-HNNXBMFYSA-N 2 2 360.524 0.279 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000765699795 668012542 /nfs/dbraw/zinc/01/25/42/668012542.db2.gz YMKSPRRRROQDIS-HUUCEWRRSA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H]1C ZINC000765699795 668012544 /nfs/dbraw/zinc/01/25/44/668012544.db2.gz YMKSPRRRROQDIS-HUUCEWRRSA-N 2 2 374.551 0.620 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000770037652 668169346 /nfs/dbraw/zinc/16/93/46/668169346.db2.gz DMFKNBQCZZYBBH-AWEZNQCLSA-N 2 2 351.451 0.618 20 0 FCADLP CN(C(=O)NCCC1(C)OCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776114 668272861 /nfs/dbraw/zinc/27/28/61/668272861.db2.gz BZGUMUNFIJZFPO-INIZCTEOSA-N 2 2 354.495 0.949 20 0 FCADLP CN(C(=O)NCCC1(C)OCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776114 668272865 /nfs/dbraw/zinc/27/28/65/668272865.db2.gz BZGUMUNFIJZFPO-INIZCTEOSA-N 2 2 354.495 0.949 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000786765917 668775467 /nfs/dbraw/zinc/77/54/67/668775467.db2.gz NRNNPWGASDTYGU-SQWLQELKSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000786765917 668775470 /nfs/dbraw/zinc/77/54/70/668775470.db2.gz NRNNPWGASDTYGU-SQWLQELKSA-N 2 2 352.479 0.748 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000799125480 669282830 /nfs/dbraw/zinc/28/28/30/669282830.db2.gz FZCOIZIGTNOBIH-QGZVFWFLSA-N 3 2 350.507 0.920 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000799125480 669282835 /nfs/dbraw/zinc/28/28/35/669282835.db2.gz FZCOIZIGTNOBIH-QGZVFWFLSA-N 3 2 350.507 0.920 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807051656 669463711 /nfs/dbraw/zinc/46/37/11/669463711.db2.gz LSOUMHYECZYVIC-HOCLYGCPSA-N 2 2 370.563 0.871 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807051656 669463715 /nfs/dbraw/zinc/46/37/15/669463715.db2.gz LSOUMHYECZYVIC-HOCLYGCPSA-N 2 2 370.563 0.871 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000826974929 669530073 /nfs/dbraw/zinc/53/00/73/669530073.db2.gz NSPCFYMSHYKXKI-RBSFLKMASA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000826974929 669530074 /nfs/dbraw/zinc/53/00/74/669530074.db2.gz NSPCFYMSHYKXKI-RBSFLKMASA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000826974929 669530077 /nfs/dbraw/zinc/53/00/77/669530077.db2.gz NSPCFYMSHYKXKI-RBSFLKMASA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000826974929 669530082 /nfs/dbraw/zinc/53/00/82/669530082.db2.gz NSPCFYMSHYKXKI-RBSFLKMASA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000829115340 669684464 /nfs/dbraw/zinc/68/44/64/669684464.db2.gz CLVPZLLKTHGOEB-CYBMUJFWSA-N 2 2 353.488 0.945 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000829115220 669684516 /nfs/dbraw/zinc/68/45/16/669684516.db2.gz APSVVFPBMLEPLQ-KRWDZBQOSA-N 2 2 365.499 0.499 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000829117229 669684824 /nfs/dbraw/zinc/68/48/24/669684824.db2.gz ZQRWSRZDZGCMCC-INIZCTEOSA-N 2 2 353.488 0.354 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC(C)(C)OC1=O ZINC000813644206 669846504 /nfs/dbraw/zinc/84/65/04/669846504.db2.gz HWDPTEQBCLOSRZ-HIFRSBDPSA-N 2 2 352.479 0.890 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC(C)(C)OC1=O ZINC000813644206 669846510 /nfs/dbraw/zinc/84/65/10/669846510.db2.gz HWDPTEQBCLOSRZ-HIFRSBDPSA-N 2 2 352.479 0.890 20 0 FCADLP NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCCCCC[NH3+])CC2)o1 ZINC000842471790 670692180 /nfs/dbraw/zinc/69/21/80/670692180.db2.gz AIEUERGTWZYZCZ-UHFFFAOYSA-N 2 2 372.491 0.594 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccnc1Cl ZINC000844217447 670910210 /nfs/dbraw/zinc/91/02/10/670910210.db2.gz JHAQKKZZCSZJNB-CYBMUJFWSA-N 2 2 365.865 0.817 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccnc1Cl ZINC000844217447 670910213 /nfs/dbraw/zinc/91/02/13/670910213.db2.gz JHAQKKZZCSZJNB-CYBMUJFWSA-N 2 2 365.865 0.817 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000845021549 670959604 /nfs/dbraw/zinc/95/96/04/670959604.db2.gz KQFWBKGJDIFTJY-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000109395196 671387220 /nfs/dbraw/zinc/38/72/20/671387220.db2.gz QQXVXAPLXSDWRH-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000111500254 671554413 /nfs/dbraw/zinc/55/44/13/671554413.db2.gz NKIMLFPKXSREOA-MRXNPFEDSA-N 2 2 374.551 0.669 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000111500254 671554415 /nfs/dbraw/zinc/55/44/15/671554415.db2.gz NKIMLFPKXSREOA-MRXNPFEDSA-N 2 2 374.551 0.669 20 0 FCADLP C[NH+](C)C[C@@H](CO)NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000854466150 671579839 /nfs/dbraw/zinc/57/98/39/671579839.db2.gz XEIWTTYIQZYMBG-AWEZNQCLSA-N 2 2 358.483 0.014 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000903527344 675938922 /nfs/dbraw/zinc/93/89/22/675938922.db2.gz VTYWFWIXWCGKTP-UHFFFAOYSA-N 2 2 353.492 0.887 20 0 FCADLP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000863571070 672139967 /nfs/dbraw/zinc/13/99/67/672139967.db2.gz PIZLSQWJABVSJX-HOTGVXAUSA-N 2 2 351.447 0.667 20 0 FCADLP COc1ccc(OC)c([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000863571070 672139969 /nfs/dbraw/zinc/13/99/69/672139969.db2.gz PIZLSQWJABVSJX-HOTGVXAUSA-N 2 2 351.447 0.667 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000923621641 672504310 /nfs/dbraw/zinc/50/43/10/672504310.db2.gz WUQKHOJXUHBEDB-UHFFFAOYSA-N 2 2 367.519 0.461 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870909471 672519310 /nfs/dbraw/zinc/51/93/10/672519310.db2.gz DYJKUTFTHJFHMY-CQSZACIVSA-N 2 2 368.503 0.375 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000874450774 672785034 /nfs/dbraw/zinc/78/50/34/672785034.db2.gz NFOQBMQWCJIZNE-UHFFFAOYSA-N 2 2 357.520 0.488 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000874450500 672785109 /nfs/dbraw/zinc/78/51/09/672785109.db2.gz DAPXKCZBSIPQLS-MRXNPFEDSA-N 2 2 357.520 0.629 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000874450500 672785112 /nfs/dbraw/zinc/78/51/12/672785112.db2.gz DAPXKCZBSIPQLS-MRXNPFEDSA-N 2 2 357.520 0.629 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000875749251 672912925 /nfs/dbraw/zinc/91/29/25/672912925.db2.gz XPEPJRWFISHDFO-SJORKVTESA-N 2 2 354.495 0.650 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000875749251 672912927 /nfs/dbraw/zinc/91/29/27/672912927.db2.gz XPEPJRWFISHDFO-SJORKVTESA-N 2 2 354.495 0.650 20 0 FCADLP C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355925 673114025 /nfs/dbraw/zinc/11/40/25/673114025.db2.gz SJVBZSDATPOFGL-UHFFFAOYSA-N 2 2 354.495 0.949 20 0 FCADLP C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355925 673114029 /nfs/dbraw/zinc/11/40/29/673114029.db2.gz SJVBZSDATPOFGL-UHFFFAOYSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880496948 673196338 /nfs/dbraw/zinc/19/63/38/673196338.db2.gz APXOOVHROKMZTK-IRXDYDNUSA-N 2 2 352.523 0.630 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489339 676124255 /nfs/dbraw/zinc/12/42/55/676124255.db2.gz OKFQLBQNTAQHIK-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489339 676124258 /nfs/dbraw/zinc/12/42/58/676124258.db2.gz OKFQLBQNTAQHIK-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489339 676124262 /nfs/dbraw/zinc/12/42/62/676124262.db2.gz OKFQLBQNTAQHIK-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001052489339 676124270 /nfs/dbraw/zinc/12/42/70/676124270.db2.gz OKFQLBQNTAQHIK-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cnns3)CC2)O1 ZINC001052489333 676124285 /nfs/dbraw/zinc/12/42/85/676124285.db2.gz OFUJLLGMDVKKNK-UMVBOHGHSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cnns3)CC2)O1 ZINC001052489333 676124287 /nfs/dbraw/zinc/12/42/87/676124287.db2.gz OFUJLLGMDVKKNK-UMVBOHGHSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cnns3)CC2)O1 ZINC001052489333 676124289 /nfs/dbraw/zinc/12/42/89/676124289.db2.gz OFUJLLGMDVKKNK-UMVBOHGHSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cnns3)CC2)O1 ZINC001052489333 676124291 /nfs/dbraw/zinc/12/42/91/676124291.db2.gz OFUJLLGMDVKKNK-UMVBOHGHSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634009 673328757 /nfs/dbraw/zinc/32/87/57/673328757.db2.gz HIAQQEVOUFEWEY-IRXDYDNUSA-N 2 2 370.563 0.337 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634009 673328758 /nfs/dbraw/zinc/32/87/58/673328758.db2.gz HIAQQEVOUFEWEY-IRXDYDNUSA-N 2 2 370.563 0.337 20 0 FCADLP OC[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)Cc1ccoc1 ZINC000883277835 673370489 /nfs/dbraw/zinc/37/04/89/673370489.db2.gz GUEGGEVGBIIXFN-SFHVURJKSA-N 2 2 351.491 0.817 20 0 FCADLP OC[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)Cc1ccoc1 ZINC000883277835 673370493 /nfs/dbraw/zinc/37/04/93/673370493.db2.gz GUEGGEVGBIIXFN-SFHVURJKSA-N 2 2 351.491 0.817 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC000883370473 673372123 /nfs/dbraw/zinc/37/21/23/673372123.db2.gz MEFJPCNSRRQVGS-SJLPKXTDSA-N 2 2 373.563 0.586 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000883437664 673375599 /nfs/dbraw/zinc/37/55/99/673375599.db2.gz XYJQWNONHLXKQA-INIZCTEOSA-N 2 2 352.479 0.357 20 0 FCADLP COCC[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000884203486 673437236 /nfs/dbraw/zinc/43/72/36/673437236.db2.gz XMQMDQGWGINTBZ-MRXNPFEDSA-N 2 2 351.447 0.378 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884876824 673487998 /nfs/dbraw/zinc/48/79/98/673487998.db2.gz MSWXLPMDNFGNAO-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000924161709 673746397 /nfs/dbraw/zinc/74/63/97/673746397.db2.gz DTWBSHJOGOXGDJ-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000924161709 673746399 /nfs/dbraw/zinc/74/63/99/673746399.db2.gz DTWBSHJOGOXGDJ-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP CC[C@H]1COC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924725174 673761707 /nfs/dbraw/zinc/76/17/07/673761707.db2.gz ZYNPJLNMPYTSMY-JKSUJKDBSA-N 2 2 368.503 0.548 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000925589532 673794643 /nfs/dbraw/zinc/79/46/43/673794643.db2.gz JNQREQASBYZWPY-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925590833 673794975 /nfs/dbraw/zinc/79/49/75/673794975.db2.gz UZJJZPNESHQKHC-XWJBARJFSA-N 2 2 365.499 0.697 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC000969069085 675268012 /nfs/dbraw/zinc/26/80/12/675268012.db2.gz HGFNMGUPKDNMLL-JHJVBQTASA-N 2 2 357.405 0.688 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC000969069085 675268015 /nfs/dbraw/zinc/26/80/15/675268015.db2.gz HGFNMGUPKDNMLL-JHJVBQTASA-N 2 2 357.405 0.688 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015354901 675395676 /nfs/dbraw/zinc/39/56/76/675395676.db2.gz ALQHMASDIFZRSK-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015354901 675395677 /nfs/dbraw/zinc/39/56/77/675395677.db2.gz ALQHMASDIFZRSK-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnon3)C2)O1 ZINC001017154865 675409181 /nfs/dbraw/zinc/40/91/81/675409181.db2.gz WJKWHXRJHVGIAJ-IIAWOOMASA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnon3)C2)O1 ZINC001017154865 675409188 /nfs/dbraw/zinc/40/91/88/675409188.db2.gz WJKWHXRJHVGIAJ-IIAWOOMASA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3cnon3)C2)O1 ZINC001017154865 675409192 /nfs/dbraw/zinc/40/91/92/675409192.db2.gz WJKWHXRJHVGIAJ-IIAWOOMASA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cnon3)C2)O1 ZINC001017154865 675409194 /nfs/dbraw/zinc/40/91/94/675409194.db2.gz WJKWHXRJHVGIAJ-IIAWOOMASA-N 2 2 351.451 0.459 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001020171926 675436393 /nfs/dbraw/zinc/43/63/93/675436393.db2.gz DCKNPPHTJBJTRJ-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001020171926 675436396 /nfs/dbraw/zinc/43/63/96/675436396.db2.gz DCKNPPHTJBJTRJ-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001020286662 675439315 /nfs/dbraw/zinc/43/93/15/675439315.db2.gz ILWLTYPNNGOAOE-DHGKCCLASA-N 2 2 351.451 0.649 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001020286662 675439319 /nfs/dbraw/zinc/43/93/19/675439319.db2.gz ILWLTYPNNGOAOE-DHGKCCLASA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287702 675439687 /nfs/dbraw/zinc/43/96/87/675439687.db2.gz HQGMHALJSAQELU-KBUPBQIOSA-N 2 2 350.467 0.315 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287702 675439690 /nfs/dbraw/zinc/43/96/90/675439690.db2.gz HQGMHALJSAQELU-KBUPBQIOSA-N 2 2 350.467 0.315 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@@H](O)C3CCCCC3)C2)O1 ZINC001043066365 675562943 /nfs/dbraw/zinc/56/29/43/675562943.db2.gz AYBMMPDBLSGHOZ-ZTFGCOKTSA-N 2 2 353.507 0.789 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@@H](O)C3CCCCC3)C2)O1 ZINC001043066365 675562946 /nfs/dbraw/zinc/56/29/46/675562946.db2.gz AYBMMPDBLSGHOZ-ZTFGCOKTSA-N 2 2 353.507 0.789 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001045091074 675650452 /nfs/dbraw/zinc/65/04/52/675650452.db2.gz PIFQRPLUTSYLSR-VNQPRFMTSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001045091074 675650456 /nfs/dbraw/zinc/65/04/56/675650456.db2.gz PIFQRPLUTSYLSR-VNQPRFMTSA-N 2 2 350.467 0.098 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000900802743 675717597 /nfs/dbraw/zinc/71/75/97/675717597.db2.gz GJIZVOYEUWIICL-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000900802743 675717599 /nfs/dbraw/zinc/71/75/99/675717599.db2.gz GJIZVOYEUWIICL-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC000900802743 675717602 /nfs/dbraw/zinc/71/76/02/675717602.db2.gz GJIZVOYEUWIICL-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000900802743 675717604 /nfs/dbraw/zinc/71/76/04/675717604.db2.gz GJIZVOYEUWIICL-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+](C)CCCN(C(=O)CNc1cccc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000900982249 675737135 /nfs/dbraw/zinc/73/71/35/675737135.db2.gz VQUNOMUXOJBMKC-CQSZACIVSA-N 2 2 354.476 0.461 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000901033608 675743452 /nfs/dbraw/zinc/74/34/52/675743452.db2.gz HETKFCPJGSRNDE-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001020421187 1167812537 /nfs/dbraw/zinc/81/25/37/1167812537.db2.gz FPIQYBMBEZPXES-TXTZMMAHSA-N 2 2 367.490 0.140 20 0 FCADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001167093942 1168177957 /nfs/dbraw/zinc/17/79/57/1168177957.db2.gz XUCCPNMYYOIITC-CVEARBPZSA-N 2 2 357.462 0.151 20 0 FCADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001167093942 1168177962 /nfs/dbraw/zinc/17/79/62/1168177962.db2.gz XUCCPNMYYOIITC-CVEARBPZSA-N 2 2 357.462 0.151 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977167 1168334132 /nfs/dbraw/zinc/33/41/32/1168334132.db2.gz LATSDOXMOHGZCU-LZLYRXPVSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977167 1168334141 /nfs/dbraw/zinc/33/41/41/1168334141.db2.gz LATSDOXMOHGZCU-LZLYRXPVSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977167 1168334148 /nfs/dbraw/zinc/33/41/48/1168334148.db2.gz LATSDOXMOHGZCU-LZLYRXPVSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977167 1168334156 /nfs/dbraw/zinc/33/41/56/1168334156.db2.gz LATSDOXMOHGZCU-LZLYRXPVSA-N 2 2 362.518 0.872 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970092189 1168337613 /nfs/dbraw/zinc/33/76/13/1168337613.db2.gz CCMWILJDNPGJRH-CVEARBPZSA-N 2 2 371.441 0.016 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]21)[NH+](C)C ZINC001083195840 1168371060 /nfs/dbraw/zinc/37/10/60/1168371060.db2.gz RARKUYKXUVOAEO-YESZJQIVSA-N 2 2 364.494 0.147 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]21)[NH+](C)C ZINC001083195840 1168371066 /nfs/dbraw/zinc/37/10/66/1168371066.db2.gz RARKUYKXUVOAEO-YESZJQIVSA-N 2 2 364.494 0.147 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000970146850 1168403808 /nfs/dbraw/zinc/40/38/08/1168403808.db2.gz RVTZBUTWHSQNCD-VVLHAWIVSA-N 2 2 359.474 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000970146850 1168403811 /nfs/dbraw/zinc/40/38/11/1168403811.db2.gz RVTZBUTWHSQNCD-VVLHAWIVSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271354 1168481393 /nfs/dbraw/zinc/48/13/93/1168481393.db2.gz NKUNCSJATYWNEW-HUUCEWRRSA-N 2 2 361.490 0.924 20 0 FCADLP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000890884157 1168558317 /nfs/dbraw/zinc/55/83/17/1168558317.db2.gz YPSJSBXMIYUGEJ-INIZCTEOSA-N 2 2 368.522 0.213 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@@H+]1C ZINC000988615529 1192328326 /nfs/dbraw/zinc/32/83/26/1192328326.db2.gz GBKQXQMMEGSBTO-GDBMZVCRSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@H+]1C ZINC000988615529 1192328333 /nfs/dbraw/zinc/32/83/33/1192328333.db2.gz GBKQXQMMEGSBTO-GDBMZVCRSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000970444064 1168879461 /nfs/dbraw/zinc/87/94/61/1168879461.db2.gz CWZRQRKUATUWII-KBRIMQKVSA-N 2 2 369.469 0.859 20 0 FCADLP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2)C(N)=O ZINC001112486460 1169096194 /nfs/dbraw/zinc/09/61/94/1169096194.db2.gz SRVPCDRKKKRLCC-DOXZYTNZSA-N 2 2 361.490 0.835 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)CC1 ZINC001021489058 1169468436 /nfs/dbraw/zinc/46/84/36/1169468436.db2.gz NFORESDMMWOWQZ-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493223 1169605882 /nfs/dbraw/zinc/60/58/82/1169605882.db2.gz PTZAOZNAQPANHP-NSHGMRRFSA-N 2 2 365.518 0.698 20 0 FCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493223 1169605894 /nfs/dbraw/zinc/60/58/94/1169605894.db2.gz PTZAOZNAQPANHP-NSHGMRRFSA-N 2 2 365.518 0.698 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@@H]21 ZINC001083207787 1169781301 /nfs/dbraw/zinc/78/13/01/1169781301.db2.gz OLNBMFJDWONEHB-CEXWTWQISA-N 2 2 370.453 0.467 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3)C[C@@H]21 ZINC001083207787 1169781312 /nfs/dbraw/zinc/78/13/12/1169781312.db2.gz OLNBMFJDWONEHB-CEXWTWQISA-N 2 2 370.453 0.467 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc2nonc2c1 ZINC001482771162 1192383407 /nfs/dbraw/zinc/38/34/07/1192383407.db2.gz ZOYZGCVDOXRKPA-BFHYXJOUSA-N 2 2 370.413 0.327 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC001021702654 1169898502 /nfs/dbraw/zinc/89/85/02/1169898502.db2.gz QRRXAXLKXJJDCF-YQQAZPJKSA-N 2 2 367.453 0.959 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC001021702654 1169898507 /nfs/dbraw/zinc/89/85/07/1169898507.db2.gz QRRXAXLKXJJDCF-YQQAZPJKSA-N 2 2 367.453 0.959 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001021707915 1169905620 /nfs/dbraw/zinc/90/56/20/1169905620.db2.gz RMDAMMQZJNCUTD-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001021711840 1169914344 /nfs/dbraw/zinc/91/43/44/1169914344.db2.gz DTOWBLFCCMKKDD-GOEBONIOSA-N 2 2 356.430 0.227 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001087141914 1170009309 /nfs/dbraw/zinc/00/93/09/1170009309.db2.gz ZXWRQHXGAYCECZ-PVAVHDDUSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001087141914 1170009317 /nfs/dbraw/zinc/00/93/17/1170009317.db2.gz ZXWRQHXGAYCECZ-PVAVHDDUSA-N 2 2 364.494 0.345 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000327568438 1170372628 /nfs/dbraw/zinc/37/26/28/1170372628.db2.gz PICLQWBWXMWWHS-MRXNPFEDSA-N 2 2 368.459 0.922 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000971568621 1170541528 /nfs/dbraw/zinc/54/15/28/1170541528.db2.gz WTOGFKHSXHRPTM-DJIMGWMZSA-N 2 2 359.474 0.506 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000971567519 1170547793 /nfs/dbraw/zinc/54/77/93/1170547793.db2.gz LPGQKDVHADULQL-RBSFLKMASA-N 2 2 359.474 0.841 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000971567519 1170547805 /nfs/dbraw/zinc/54/78/05/1170547805.db2.gz LPGQKDVHADULQL-RBSFLKMASA-N 2 2 359.474 0.841 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)CC[N@@H+]1C ZINC001022213282 1170760908 /nfs/dbraw/zinc/76/09/08/1170760908.db2.gz AJCWWBJEBREHLU-YALNPMBYSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)CC[N@H+]1C ZINC001022213282 1170760915 /nfs/dbraw/zinc/76/09/15/1170760915.db2.gz AJCWWBJEBREHLU-YALNPMBYSA-N 2 2 359.474 0.362 20 0 FCADLP Cc1nc(C)n(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC000971718070 1170796378 /nfs/dbraw/zinc/79/63/78/1170796378.db2.gz CUIJFXJFBXZZTA-ARFHVFGLSA-N 2 2 357.462 0.954 20 0 FCADLP COc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780923 1170822284 /nfs/dbraw/zinc/82/22/84/1170822284.db2.gz FTBFFLRKFWVJQT-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780923 1170822283 /nfs/dbraw/zinc/82/22/83/1170822283.db2.gz FTBFFLRKFWVJQT-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP COc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780923 1170822286 /nfs/dbraw/zinc/82/22/86/1170822286.db2.gz FTBFFLRKFWVJQT-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP COc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780923 1170822287 /nfs/dbraw/zinc/82/22/87/1170822287.db2.gz FTBFFLRKFWVJQT-VNQPRFMTSA-N 2 2 363.462 0.237 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022376851 1170896227 /nfs/dbraw/zinc/89/62/27/1170896227.db2.gz CTDQWKZIKDJPBH-JKSUJKDBSA-N 2 2 371.485 0.508 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001087183458 1171065283 /nfs/dbraw/zinc/06/52/83/1171065283.db2.gz SEECLYDSBLFNON-RKVPGOIHSA-N 2 2 371.489 0.991 20 0 FCADLP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000934044551 1171299868 /nfs/dbraw/zinc/29/98/68/1171299868.db2.gz DJZYQHRFQRUEJL-IAGOWNOFSA-N 2 2 369.506 0.531 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022522793 1171356493 /nfs/dbraw/zinc/35/64/93/1171356493.db2.gz KVFZMTHHXCJXEX-JKSUJKDBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000891971652 1171364161 /nfs/dbraw/zinc/36/41/61/1171364161.db2.gz ROVFXLANFXRRIM-INIZCTEOSA-N 2 2 356.430 0.355 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC1 ZINC000972144306 1171799366 /nfs/dbraw/zinc/79/93/66/1171799366.db2.gz JSFYAMSZBPRQJC-HZPDHXFCSA-N 2 2 359.474 0.743 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972151859 1171804744 /nfs/dbraw/zinc/80/47/44/1171804744.db2.gz HLFDAWBFUNWFCT-BZUAXINKSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972151859 1171804748 /nfs/dbraw/zinc/80/47/48/1171804748.db2.gz HLFDAWBFUNWFCT-BZUAXINKSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001022718918 1171810343 /nfs/dbraw/zinc/81/03/43/1171810343.db2.gz ZKHQBCOWUOBROU-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001022718918 1171810344 /nfs/dbraw/zinc/81/03/44/1171810344.db2.gz ZKHQBCOWUOBROU-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001022718918 1171810347 /nfs/dbraw/zinc/81/03/47/1171810347.db2.gz ZKHQBCOWUOBROU-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001022718918 1171810349 /nfs/dbraw/zinc/81/03/49/1171810349.db2.gz ZKHQBCOWUOBROU-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972315768 1171959817 /nfs/dbraw/zinc/95/98/17/1171959817.db2.gz XGPNCCBDTVTKLA-FGTMMUONSA-N 2 2 371.485 0.674 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000892288735 1172020634 /nfs/dbraw/zinc/02/06/34/1172020634.db2.gz GLBMFMOIBUECPH-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000892288735 1172020642 /nfs/dbraw/zinc/02/06/42/1172020642.db2.gz GLBMFMOIBUECPH-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3COCC[NH2+]3)C2)cc1 ZINC000892289951 1172023036 /nfs/dbraw/zinc/02/30/36/1172023036.db2.gz PBZCIXTZSCDQMD-ROUUACIJSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3COCC[NH2+]3)C2)cc1 ZINC000892289951 1172023046 /nfs/dbraw/zinc/02/30/46/1172023046.db2.gz PBZCIXTZSCDQMD-ROUUACIJSA-N 2 2 362.474 0.483 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC000972375920 1172031483 /nfs/dbraw/zinc/03/14/83/1172031483.db2.gz RVHCAAXPOQUNMX-RRFJBIMHSA-N 2 2 360.462 0.082 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000972375920 1172031491 /nfs/dbraw/zinc/03/14/91/1172031491.db2.gz RVHCAAXPOQUNMX-RRFJBIMHSA-N 2 2 360.462 0.082 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001022841445 1172047441 /nfs/dbraw/zinc/04/74/41/1172047441.db2.gz RDTOXTSPVXLAIO-WMLDXEAASA-N 2 2 364.409 0.973 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001087226315 1172076976 /nfs/dbraw/zinc/07/69/76/1172076976.db2.gz OHHKQXHXMJXDSC-CVEARBPZSA-N 2 2 364.494 0.254 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000611724756 1172086788 /nfs/dbraw/zinc/08/67/88/1172086788.db2.gz KHQUVIKMVXRCDX-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000611724756 1172086795 /nfs/dbraw/zinc/08/67/95/1172086795.db2.gz KHQUVIKMVXRCDX-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000611724756 1172086799 /nfs/dbraw/zinc/08/67/99/1172086799.db2.gz KHQUVIKMVXRCDX-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[NH+](C)C ZINC000947518833 1172126152 /nfs/dbraw/zinc/12/61/52/1172126152.db2.gz LBTNFFJCOCMUTC-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000989023904 1192629770 /nfs/dbraw/zinc/62/97/70/1192629770.db2.gz GIZBLXRHRUZUHO-OWCLPIDISA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000989023904 1192629778 /nfs/dbraw/zinc/62/97/78/1192629778.db2.gz GIZBLXRHRUZUHO-OWCLPIDISA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000989053175 1192662945 /nfs/dbraw/zinc/66/29/45/1192662945.db2.gz VQLIAYFYGVVNII-IVSAIRAKSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000989053175 1192662953 /nfs/dbraw/zinc/66/29/53/1192662953.db2.gz VQLIAYFYGVVNII-IVSAIRAKSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000989060227 1192666254 /nfs/dbraw/zinc/66/62/54/1192666254.db2.gz BUKSMEVHJRUPHD-FPCVCCKLSA-N 2 2 371.485 0.725 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000989116990 1192688956 /nfs/dbraw/zinc/68/89/56/1192688956.db2.gz CIIIWRRERYWSIX-XOKHGSTOSA-N 2 2 371.441 0.384 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000989116990 1192688961 /nfs/dbraw/zinc/68/89/61/1192688961.db2.gz CIIIWRRERYWSIX-XOKHGSTOSA-N 2 2 371.441 0.384 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088659162 1192806157 /nfs/dbraw/zinc/80/61/57/1192806157.db2.gz KSRIUGOOIDRYEB-LUYZLQTOSA-N 2 2 363.462 0.283 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088659162 1192806160 /nfs/dbraw/zinc/80/61/60/1192806160.db2.gz KSRIUGOOIDRYEB-LUYZLQTOSA-N 2 2 363.462 0.283 20 0 FCADLP COc1nccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088659162 1192806162 /nfs/dbraw/zinc/80/61/62/1192806162.db2.gz KSRIUGOOIDRYEB-LUYZLQTOSA-N 2 2 363.462 0.283 20 0 FCADLP COc1nccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088659162 1192806164 /nfs/dbraw/zinc/80/61/64/1192806164.db2.gz KSRIUGOOIDRYEB-LUYZLQTOSA-N 2 2 363.462 0.283 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897559174 1192809260 /nfs/dbraw/zinc/80/92/60/1192809260.db2.gz SGULAOQOSMLBJU-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897559174 1192809262 /nfs/dbraw/zinc/80/92/62/1192809262.db2.gz SGULAOQOSMLBJU-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897559174 1192809263 /nfs/dbraw/zinc/80/92/63/1192809263.db2.gz SGULAOQOSMLBJU-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897559174 1192809265 /nfs/dbraw/zinc/80/92/65/1192809265.db2.gz SGULAOQOSMLBJU-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561806 1192879523 /nfs/dbraw/zinc/87/95/23/1192879523.db2.gz NCIKWOZUADNJLW-XHSDSOJGSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561806 1192879524 /nfs/dbraw/zinc/87/95/24/1192879524.db2.gz NCIKWOZUADNJLW-XHSDSOJGSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561805 1192879609 /nfs/dbraw/zinc/87/96/09/1192879609.db2.gz NCIKWOZUADNJLW-OAGGEKHMSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561805 1192879612 /nfs/dbraw/zinc/87/96/12/1192879612.db2.gz NCIKWOZUADNJLW-OAGGEKHMSA-N 2 2 359.474 0.362 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761318 1179526734 /nfs/dbraw/zinc/52/67/34/1179526734.db2.gz UWWUIEQTMOCSGK-RDBSUJKOSA-N 2 2 367.412 0.865 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761318 1179526753 /nfs/dbraw/zinc/52/67/53/1179526753.db2.gz UWWUIEQTMOCSGK-RDBSUJKOSA-N 2 2 367.412 0.865 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761318 1179526775 /nfs/dbraw/zinc/52/67/75/1179526775.db2.gz UWWUIEQTMOCSGK-RDBSUJKOSA-N 2 2 367.412 0.865 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761318 1179526782 /nfs/dbraw/zinc/52/67/82/1179526782.db2.gz UWWUIEQTMOCSGK-RDBSUJKOSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001087241242 1179629073 /nfs/dbraw/zinc/62/90/73/1179629073.db2.gz NFZBSCORHANYKZ-HYVNUMGLSA-N 2 2 361.490 0.848 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451565 1179758273 /nfs/dbraw/zinc/75/82/73/1179758273.db2.gz QGJGIYYBTJIYBO-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451565 1179758278 /nfs/dbraw/zinc/75/82/78/1179758278.db2.gz QGJGIYYBTJIYBO-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451565 1179758284 /nfs/dbraw/zinc/75/82/84/1179758284.db2.gz QGJGIYYBTJIYBO-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451565 1179758287 /nfs/dbraw/zinc/75/82/87/1179758287.db2.gz QGJGIYYBTJIYBO-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC[N@@H+]1C ZINC000947247131 1179849825 /nfs/dbraw/zinc/84/98/25/1179849825.db2.gz PTFVEVULRRBLIV-DTZQCDIJSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC[N@H+]1C ZINC000947247131 1179849826 /nfs/dbraw/zinc/84/98/26/1179849826.db2.gz PTFVEVULRRBLIV-DTZQCDIJSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC[N@@H+]1C ZINC000947247131 1179849827 /nfs/dbraw/zinc/84/98/27/1179849827.db2.gz PTFVEVULRRBLIV-DTZQCDIJSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC[N@H+]1C ZINC000947247131 1179849829 /nfs/dbraw/zinc/84/98/29/1179849829.db2.gz PTFVEVULRRBLIV-DTZQCDIJSA-N 2 2 359.474 0.961 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972587652 1179854972 /nfs/dbraw/zinc/85/49/72/1179854972.db2.gz IOUSOJOUIVRIMM-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972587652 1179854973 /nfs/dbraw/zinc/85/49/73/1179854973.db2.gz IOUSOJOUIVRIMM-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cn(C)nn2)C1 ZINC001087248328 1180005463 /nfs/dbraw/zinc/00/54/63/1180005463.db2.gz ZDEXYPYDMLYZIL-PVAVHDDUSA-N 2 2 364.494 0.253 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cn(C)nn2)C1 ZINC001087248328 1180005472 /nfs/dbraw/zinc/00/54/72/1180005472.db2.gz ZDEXYPYDMLYZIL-PVAVHDDUSA-N 2 2 364.494 0.253 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cn2cc[nH+]c2)n1C ZINC001087251514 1180102924 /nfs/dbraw/zinc/10/29/24/1180102924.db2.gz ZCBWNMGEPBDBCZ-CABCVRRESA-N 2 2 359.478 0.991 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21)C1CC1 ZINC000972649952 1180188311 /nfs/dbraw/zinc/18/83/11/1180188311.db2.gz WHORUUCPXSMXPC-NUJGCVRESA-N 2 2 359.474 0.673 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](O)[C@H](NC(=O)C[NH+]4CCCC4)C3)ccn12 ZINC001023795432 1180325104 /nfs/dbraw/zinc/32/51/04/1180325104.db2.gz HUMVKRKZHPXEAF-HZPDHXFCSA-N 2 2 371.441 0.040 20 0 FCADLP Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001024165890 1180934118 /nfs/dbraw/zinc/93/41/18/1180934118.db2.gz XLFFUMAJRNYECM-FVQBIDKESA-N 2 2 357.462 0.681 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001024445508 1181177938 /nfs/dbraw/zinc/17/79/38/1181177938.db2.gz OGRFYWUJQYWXAT-NUJGCVRESA-N 2 2 366.506 0.189 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001024445508 1181177944 /nfs/dbraw/zinc/17/79/44/1181177944.db2.gz OGRFYWUJQYWXAT-NUJGCVRESA-N 2 2 366.506 0.189 20 0 FCADLP COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572817 1181347693 /nfs/dbraw/zinc/34/76/93/1181347693.db2.gz VOLMOUPSWJVTEA-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP COCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572817 1181347700 /nfs/dbraw/zinc/34/77/00/1181347700.db2.gz VOLMOUPSWJVTEA-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP COc1nn(C)cc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892522227 1181723896 /nfs/dbraw/zinc/72/38/96/1181723896.db2.gz UJUWFYDZFQTHKS-UHFFFAOYSA-N 2 2 364.494 0.787 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000972990186 1181851416 /nfs/dbraw/zinc/85/14/16/1181851416.db2.gz QJQCWNLZWAWRED-IXDOHACOSA-N 2 2 357.458 0.284 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083276213 1181866851 /nfs/dbraw/zinc/86/68/51/1181866851.db2.gz RFXAXKGKIWCOKJ-DLBZAZTESA-N 2 2 358.446 0.079 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276235 1181866977 /nfs/dbraw/zinc/86/69/77/1181866977.db2.gz SZYISVYWSHKPMW-DLBZAZTESA-N 2 2 358.446 0.345 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276235 1181866981 /nfs/dbraw/zinc/86/69/81/1181866981.db2.gz SZYISVYWSHKPMW-DLBZAZTESA-N 2 2 358.446 0.345 20 0 FCADLP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001104729181 1182401367 /nfs/dbraw/zinc/40/13/67/1182401367.db2.gz PXZQJGKKOQYKKF-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCCCC4)[C@H]3C2)cn1 ZINC001083284179 1182517800 /nfs/dbraw/zinc/51/78/00/1182517800.db2.gz VLQAUQOOZISXFT-ZWKOTPCHSA-N 2 2 361.490 0.708 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+]4CCCCC4)[C@H]3C2)cn1 ZINC001083284179 1182517809 /nfs/dbraw/zinc/51/78/09/1182517809.db2.gz VLQAUQOOZISXFT-ZWKOTPCHSA-N 2 2 361.490 0.708 20 0 FCADLP CC(=O)OC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000892885881 1182560062 /nfs/dbraw/zinc/56/00/62/1182560062.db2.gz KDFOEPMDJLPWRV-GDBMZVCRSA-N 2 2 363.462 0.823 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026054581 1182876216 /nfs/dbraw/zinc/87/62/16/1182876216.db2.gz IIJWFEZDPQRTRK-ALOQXXIVSA-N 2 2 357.458 0.191 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026054581 1182876218 /nfs/dbraw/zinc/87/62/18/1182876218.db2.gz IIJWFEZDPQRTRK-ALOQXXIVSA-N 2 2 357.458 0.191 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)n2)CC1 ZINC000330193325 1182942635 /nfs/dbraw/zinc/94/26/35/1182942635.db2.gz AIBVHXGLTAQLKW-INIZCTEOSA-N 2 2 362.478 1.088 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CC(=O)Nc1cnccn1 ZINC001104836020 1182945005 /nfs/dbraw/zinc/94/50/05/1182945005.db2.gz OTPSLYYWFKMLPR-ZIAGYGMSSA-N 2 2 371.445 0.455 20 0 FCADLP CC[C@H](C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104910642 1182992672 /nfs/dbraw/zinc/99/26/72/1182992672.db2.gz LAZVUOLPUXNNOB-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001104954516 1183018356 /nfs/dbraw/zinc/01/83/56/1183018356.db2.gz GEKABTBRFGNQOX-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000974163000 1183022726 /nfs/dbraw/zinc/02/27/26/1183022726.db2.gz GRYNLRHHXZFTFK-ZHCJQAHYSA-N 2 2 371.485 0.629 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104966750 1183026349 /nfs/dbraw/zinc/02/63/49/1183026349.db2.gz GUIHCTYZSLUGSZ-ZIAGYGMSSA-N 2 2 360.466 0.151 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000974326451 1183110011 /nfs/dbraw/zinc/11/00/11/1183110011.db2.gz GQCVPDKMAKYRCN-LXTVHRRPSA-N 2 2 357.458 0.383 20 0 FCADLP CCc1nc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001026514326 1183145336 /nfs/dbraw/zinc/14/53/36/1183145336.db2.gz AEMAHKZDEWDPER-XSCHDIRWSA-N 2 2 365.478 0.868 20 0 FCADLP CCc1nc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001026514326 1183145344 /nfs/dbraw/zinc/14/53/44/1183145344.db2.gz AEMAHKZDEWDPER-XSCHDIRWSA-N 2 2 365.478 0.868 20 0 FCADLP CC[C@H](F)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268423 1183166897 /nfs/dbraw/zinc/16/68/97/1183166897.db2.gz NJQIAMYSTVKQPU-DVOMOZLQSA-N 2 2 368.457 0.218 20 0 FCADLP CC[C@H](F)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268423 1183166903 /nfs/dbraw/zinc/16/69/03/1183166903.db2.gz NJQIAMYSTVKQPU-DVOMOZLQSA-N 2 2 368.457 0.218 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CN1CC[NH+]1CCOCC1 ZINC000893354318 1183204549 /nfs/dbraw/zinc/20/45/49/1183204549.db2.gz INWTUXKHNOCIBW-JYJNAYRXSA-N 2 2 371.453 0.143 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000974527112 1183301106 /nfs/dbraw/zinc/30/11/06/1183301106.db2.gz QCIFPCJRVSGQKY-RHSMWYFYSA-N 2 2 364.409 0.904 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000974576917 1183346669 /nfs/dbraw/zinc/34/66/69/1183346669.db2.gz NJJIYFHCOSTRNO-RHSMWYFYSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC000974576917 1183346678 /nfs/dbraw/zinc/34/66/78/1183346678.db2.gz NJJIYFHCOSTRNO-RHSMWYFYSA-N 2 2 359.474 0.506 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000974627245 1183392032 /nfs/dbraw/zinc/39/20/32/1183392032.db2.gz KYNQUQRAINIAQN-KZNAEPCWSA-N 2 2 371.485 0.674 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000193832211 1183428035 /nfs/dbraw/zinc/42/80/35/1183428035.db2.gz DBUQCXOZNAQUII-UHFFFAOYSA-N 2 2 359.474 0.541 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000193832211 1183428042 /nfs/dbraw/zinc/42/80/42/1183428042.db2.gz DBUQCXOZNAQUII-UHFFFAOYSA-N 2 2 359.474 0.541 20 0 FCADLP COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001026898303 1183471508 /nfs/dbraw/zinc/47/15/08/1183471508.db2.gz JVQISAQJNQTGRU-NWANDNLSSA-N 2 2 356.430 0.950 20 0 FCADLP COc1cncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001026898303 1183471516 /nfs/dbraw/zinc/47/15/16/1183471516.db2.gz JVQISAQJNQTGRU-NWANDNLSSA-N 2 2 356.430 0.950 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3noc(C4CC4)n3)C2)O1 ZINC001026913476 1183489380 /nfs/dbraw/zinc/48/93/80/1183489380.db2.gz AGNQDCZEBUDSRJ-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3noc(C4CC4)n3)C2)O1 ZINC001026913476 1183489384 /nfs/dbraw/zinc/48/93/84/1183489384.db2.gz AGNQDCZEBUDSRJ-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974724156 1183501150 /nfs/dbraw/zinc/50/11/50/1183501150.db2.gz LDUKLCGVDXSRBI-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974724156 1183501160 /nfs/dbraw/zinc/50/11/60/1183501160.db2.gz LDUKLCGVDXSRBI-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974724156 1183501170 /nfs/dbraw/zinc/50/11/70/1183501170.db2.gz LDUKLCGVDXSRBI-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974724156 1183501179 /nfs/dbraw/zinc/50/11/79/1183501179.db2.gz LDUKLCGVDXSRBI-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21)[NH+]1CCCC1 ZINC000974723959 1183501479 /nfs/dbraw/zinc/50/14/79/1183501479.db2.gz WLHHSPZTGATHKW-HZPDHXFCSA-N 2 2 359.474 0.817 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001027075137 1183718963 /nfs/dbraw/zinc/71/89/63/1183718963.db2.gz MSNMMYFHMCVJTQ-BPLDGKMQSA-N 2 2 370.461 0.483 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)C1 ZINC000975224100 1183787242 /nfs/dbraw/zinc/78/72/42/1183787242.db2.gz MMHJXJSPPLTURU-BFYDXBDKSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)C1 ZINC000975224100 1183787250 /nfs/dbraw/zinc/78/72/50/1183787250.db2.gz MMHJXJSPPLTURU-BFYDXBDKSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000975321346 1183828546 /nfs/dbraw/zinc/82/85/46/1183828546.db2.gz SGXMDWJAYKRPPN-OWCLPIDISA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000975321346 1183828553 /nfs/dbraw/zinc/82/85/53/1183828553.db2.gz SGXMDWJAYKRPPN-OWCLPIDISA-N 2 2 361.490 0.956 20 0 FCADLP CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1)[NH+]1CCCC1 ZINC000975425349 1183866896 /nfs/dbraw/zinc/86/68/96/1183866896.db2.gz UQPJCKAPKLHYIK-GDBMZVCRSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425954 1183867025 /nfs/dbraw/zinc/86/70/25/1183867025.db2.gz ZRVNTPWYGXZNDO-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425954 1183867028 /nfs/dbraw/zinc/86/70/28/1183867028.db2.gz ZRVNTPWYGXZNDO-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1)C1CCC1 ZINC000975764682 1185701435 /nfs/dbraw/zinc/70/14/35/1185701435.db2.gz CHYIVYDCNYTBGK-YOEHRIQHSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1)C1CCC1 ZINC000975764682 1185701448 /nfs/dbraw/zinc/70/14/48/1185701448.db2.gz CHYIVYDCNYTBGK-YOEHRIQHSA-N 2 2 359.474 0.886 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000909399783 1186007142 /nfs/dbraw/zinc/00/71/42/1186007142.db2.gz DKBOVBADPRVFLT-UHFFFAOYSA-N 2 2 367.582 0.935 20 0 FCADLP Cn1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1=O ZINC001027942490 1186219321 /nfs/dbraw/zinc/21/93/21/1186219321.db2.gz DUFLXHOJWQGVJQ-BZUAXINKSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1=O ZINC001027942490 1186219327 /nfs/dbraw/zinc/21/93/27/1186219327.db2.gz DUFLXHOJWQGVJQ-BZUAXINKSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000980576670 1186231388 /nfs/dbraw/zinc/23/13/88/1186231388.db2.gz YPSVMDVDHDRGIW-KLHDSHLOSA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NC2CCCC2)O1 ZINC001027965920 1186243917 /nfs/dbraw/zinc/24/39/17/1186243917.db2.gz IFZICJNLRPNJGY-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NC2CCCC2)O1 ZINC001027965920 1186243921 /nfs/dbraw/zinc/24/39/21/1186243921.db2.gz IFZICJNLRPNJGY-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CCCC2)O1 ZINC001027965920 1186243925 /nfs/dbraw/zinc/24/39/25/1186243925.db2.gz IFZICJNLRPNJGY-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CCCC2)O1 ZINC001027965920 1186243929 /nfs/dbraw/zinc/24/39/29/1186243929.db2.gz IFZICJNLRPNJGY-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443257 1187520012 /nfs/dbraw/zinc/52/00/12/1187520012.db2.gz CLZNMRHHSWLIKK-QZTJIDSGSA-N 2 2 358.486 0.803 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443257 1187520016 /nfs/dbraw/zinc/52/00/16/1187520016.db2.gz CLZNMRHHSWLIKK-QZTJIDSGSA-N 2 2 358.486 0.803 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643540 1187565240 /nfs/dbraw/zinc/56/52/40/1187565240.db2.gz BHXBEHDKYVPISV-QGTPRVQTSA-N 2 2 371.441 0.586 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643540 1187565251 /nfs/dbraw/zinc/56/52/51/1187565251.db2.gz BHXBEHDKYVPISV-QGTPRVQTSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643540 1187565258 /nfs/dbraw/zinc/56/52/58/1187565258.db2.gz BHXBEHDKYVPISV-QGTPRVQTSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643540 1187565262 /nfs/dbraw/zinc/56/52/62/1187565262.db2.gz BHXBEHDKYVPISV-QGTPRVQTSA-N 2 2 371.441 0.586 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644004 1187568026 /nfs/dbraw/zinc/56/80/26/1187568026.db2.gz RVIMTLZTSYRQCL-KSZLIROESA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644004 1187568030 /nfs/dbraw/zinc/56/80/30/1187568030.db2.gz RVIMTLZTSYRQCL-KSZLIROESA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644004 1187568034 /nfs/dbraw/zinc/56/80/34/1187568034.db2.gz RVIMTLZTSYRQCL-KSZLIROESA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644004 1187568039 /nfs/dbraw/zinc/56/80/39/1187568039.db2.gz RVIMTLZTSYRQCL-KSZLIROESA-N 2 2 361.490 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(C4CC4)nn3C)C2)CC[N@@H+]1C ZINC001028548437 1187601092 /nfs/dbraw/zinc/60/10/92/1187601092.db2.gz AKCHJFJBEKYISG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(C4CC4)nn3C)C2)CC[N@H+]1C ZINC001028548437 1187601097 /nfs/dbraw/zinc/60/10/97/1187601097.db2.gz AKCHJFJBEKYISG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)C2)CC[NH+]1C ZINC001028548437 1187601100 /nfs/dbraw/zinc/60/11/00/1187601100.db2.gz AKCHJFJBEKYISG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)C2)CC[NH+]1C ZINC001028548437 1187601106 /nfs/dbraw/zinc/60/11/06/1187601106.db2.gz AKCHJFJBEKYISG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549672 1187602527 /nfs/dbraw/zinc/60/25/27/1187602527.db2.gz UTHAYDIOTPQPAY-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549672 1187602529 /nfs/dbraw/zinc/60/25/29/1187602529.db2.gz UTHAYDIOTPQPAY-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549672 1187602533 /nfs/dbraw/zinc/60/25/33/1187602533.db2.gz UTHAYDIOTPQPAY-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549672 1187602534 /nfs/dbraw/zinc/60/25/34/1187602534.db2.gz UTHAYDIOTPQPAY-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385474 1187712591 /nfs/dbraw/zinc/71/25/91/1187712591.db2.gz OVPXJSQCFKYGPD-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385474 1187712594 /nfs/dbraw/zinc/71/25/94/1187712594.db2.gz OVPXJSQCFKYGPD-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385474 1187712598 /nfs/dbraw/zinc/71/25/98/1187712598.db2.gz OVPXJSQCFKYGPD-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385474 1187712601 /nfs/dbraw/zinc/71/26/01/1187712601.db2.gz OVPXJSQCFKYGPD-AABGKKOBSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)C1 ZINC001083385199 1187713150 /nfs/dbraw/zinc/71/31/50/1187713150.db2.gz GOBUAGREEKHWQT-CEXWTWQISA-N 2 2 359.470 0.167 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)C1 ZINC001083385199 1187713152 /nfs/dbraw/zinc/71/31/52/1187713152.db2.gz GOBUAGREEKHWQT-CEXWTWQISA-N 2 2 359.470 0.167 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)C1 ZINC001083385199 1187713153 /nfs/dbraw/zinc/71/31/53/1187713153.db2.gz GOBUAGREEKHWQT-CEXWTWQISA-N 2 2 359.470 0.167 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)C1 ZINC001083385199 1187713156 /nfs/dbraw/zinc/71/31/56/1187713156.db2.gz GOBUAGREEKHWQT-CEXWTWQISA-N 2 2 359.470 0.167 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000983015078 1187815920 /nfs/dbraw/zinc/81/59/20/1187815920.db2.gz ZPFMHTIBBBFCPS-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000983015078 1187815921 /nfs/dbraw/zinc/81/59/21/1187815921.db2.gz ZPFMHTIBBBFCPS-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC000983102929 1187833424 /nfs/dbraw/zinc/83/34/24/1187833424.db2.gz KPULMPFBXXRZQJ-OWCLPIDISA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC000983102929 1187833426 /nfs/dbraw/zinc/83/34/26/1187833426.db2.gz KPULMPFBXXRZQJ-OWCLPIDISA-N 2 2 361.490 0.658 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028810907 1187907581 /nfs/dbraw/zinc/90/75/81/1187907581.db2.gz DWSGZKLBEWJJIX-GVDBMIGSSA-N 2 2 371.489 0.870 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028810907 1187907587 /nfs/dbraw/zinc/90/75/87/1187907587.db2.gz DWSGZKLBEWJJIX-GVDBMIGSSA-N 2 2 371.489 0.870 20 0 FCADLP C[N@@H+]1CCC12CN(C(=O)[C@@H]([NH3+])CCCNC(=O)OCc1ccccc1)C2 ZINC001269930548 1187941930 /nfs/dbraw/zinc/94/19/30/1187941930.db2.gz IGIVRXYJAQYHSA-INIZCTEOSA-N 2 2 360.458 0.937 20 0 FCADLP C[N@H+]1CCC12CN(C(=O)[C@@H]([NH3+])CCCNC(=O)OCc1ccccc1)C2 ZINC001269930548 1187941941 /nfs/dbraw/zinc/94/19/41/1187941941.db2.gz IGIVRXYJAQYHSA-INIZCTEOSA-N 2 2 360.458 0.937 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(=O)N2CCCCO2)c1 ZINC001270059910 1187983618 /nfs/dbraw/zinc/98/36/18/1187983618.db2.gz APALWFAEKIVGQV-HUUCEWRRSA-N 2 2 363.462 0.468 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075741969 1188056107 /nfs/dbraw/zinc/05/61/07/1188056107.db2.gz BKZIODFPRAGSEW-HRCADAONSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1=O ZINC001075741969 1188056109 /nfs/dbraw/zinc/05/61/09/1188056109.db2.gz BKZIODFPRAGSEW-HRCADAONSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075744227 1188061308 /nfs/dbraw/zinc/06/13/08/1188061308.db2.gz GBHFIZUARXQVGX-OWCLPIDISA-N 2 2 359.474 0.791 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075744227 1188061315 /nfs/dbraw/zinc/06/13/15/1188061315.db2.gz GBHFIZUARXQVGX-OWCLPIDISA-N 2 2 359.474 0.791 20 0 FCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270371715 1188123562 /nfs/dbraw/zinc/12/35/62/1188123562.db2.gz VXQSTVTYPMUSPQ-BZUAXINKSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@H](C(=O)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1)[NH+]1CCCC1 ZINC001270490554 1188174762 /nfs/dbraw/zinc/17/47/62/1188174762.db2.gz NDCHGQXXUXCWKZ-APWZRJJASA-N 2 2 359.474 0.818 20 0 FCADLP COc1ccc([C@@H]2CC[N@H+](CCO)C[C@@H]2NC(=O)Cn2cc[nH+]c2)cc1 ZINC001087476939 1188248891 /nfs/dbraw/zinc/24/88/91/1188248891.db2.gz NLQRMGQDBVPACX-ROUUACIJSA-N 2 2 358.442 0.858 20 0 FCADLP COc1ccc([C@@H]2CC[N@@H+](CCO)C[C@@H]2NC(=O)Cn2cc[nH+]c2)cc1 ZINC001087476939 1188248892 /nfs/dbraw/zinc/24/88/92/1188248892.db2.gz NLQRMGQDBVPACX-ROUUACIJSA-N 2 2 358.442 0.858 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCN(C)CC1 ZINC000550381480 1188344141 /nfs/dbraw/zinc/34/41/41/1188344141.db2.gz KJWMLRYOPSHPQR-KRWDZBQOSA-N 2 2 369.554 0.173 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000178977255 1188400688 /nfs/dbraw/zinc/40/06/88/1188400688.db2.gz OLTRJUKEEZOFPB-CALCHBBNSA-N 2 2 370.538 0.254 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000178977255 1188400690 /nfs/dbraw/zinc/40/06/90/1188400690.db2.gz OLTRJUKEEZOFPB-CALCHBBNSA-N 2 2 370.538 0.254 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075809110 1189464112 /nfs/dbraw/zinc/46/41/12/1189464112.db2.gz TVKJVQBSRIFZLP-KYHPRHEASA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075809110 1189464126 /nfs/dbraw/zinc/46/41/26/1189464126.db2.gz TVKJVQBSRIFZLP-KYHPRHEASA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075809110 1189464131 /nfs/dbraw/zinc/46/41/31/1189464131.db2.gz TVKJVQBSRIFZLP-KYHPRHEASA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001075809110 1189464135 /nfs/dbraw/zinc/46/41/35/1189464135.db2.gz TVKJVQBSRIFZLP-KYHPRHEASA-N 2 2 360.506 0.979 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000550458105 1189502368 /nfs/dbraw/zinc/50/23/68/1189502368.db2.gz QCLFJEZVFBPEJM-INIZCTEOSA-N 2 2 365.478 0.253 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000550458105 1189502389 /nfs/dbraw/zinc/50/23/89/1189502389.db2.gz QCLFJEZVFBPEJM-INIZCTEOSA-N 2 2 365.478 0.253 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cnc(C)nc1 ZINC001087622433 1189670997 /nfs/dbraw/zinc/67/09/97/1189670997.db2.gz MJVXOGPSDWAVNU-BVPBIZIASA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cnc(C)nc1 ZINC001087622433 1189671006 /nfs/dbraw/zinc/67/10/06/1189671006.db2.gz MJVXOGPSDWAVNU-BVPBIZIASA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnc(C)nc1 ZINC001087622433 1189671017 /nfs/dbraw/zinc/67/10/17/1189671017.db2.gz MJVXOGPSDWAVNU-BVPBIZIASA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnc(C)nc1 ZINC001087622433 1189671025 /nfs/dbraw/zinc/67/10/25/1189671025.db2.gz MJVXOGPSDWAVNU-BVPBIZIASA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cnc(C)cn1 ZINC001087622264 1189671197 /nfs/dbraw/zinc/67/11/97/1189671197.db2.gz CAARPSOJZAANRU-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cnc(C)cn1 ZINC001087622264 1189671210 /nfs/dbraw/zinc/67/12/10/1189671210.db2.gz CAARPSOJZAANRU-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnc(C)cn1 ZINC001087622264 1189671222 /nfs/dbraw/zinc/67/12/22/1189671222.db2.gz CAARPSOJZAANRU-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cnc(C)cn1 ZINC001087622264 1189671229 /nfs/dbraw/zinc/67/12/29/1189671229.db2.gz CAARPSOJZAANRU-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cc(C)n(C)n1 ZINC001087622460 1189672489 /nfs/dbraw/zinc/67/24/89/1189672489.db2.gz NQBNVINCMHUATA-BZZMCLGOSA-N 2 2 363.506 0.917 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cc(C)n(C)n1 ZINC001087622460 1189672495 /nfs/dbraw/zinc/67/24/95/1189672495.db2.gz NQBNVINCMHUATA-BZZMCLGOSA-N 2 2 363.506 0.917 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(C)n(C)n1 ZINC001087622460 1189672508 /nfs/dbraw/zinc/67/25/08/1189672508.db2.gz NQBNVINCMHUATA-BZZMCLGOSA-N 2 2 363.506 0.917 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(C)n(C)n1 ZINC001087622460 1189672524 /nfs/dbraw/zinc/67/25/24/1189672524.db2.gz NQBNVINCMHUATA-BZZMCLGOSA-N 2 2 363.506 0.917 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087659518 1189712112 /nfs/dbraw/zinc/71/21/12/1189712112.db2.gz LWMUYDNUFILQKC-LSDHHAIUSA-N 2 2 369.429 0.539 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087659518 1189712125 /nfs/dbraw/zinc/71/21/25/1189712125.db2.gz LWMUYDNUFILQKC-LSDHHAIUSA-N 2 2 369.429 0.539 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[N@@H+]1CC(=O)N(C)C ZINC001087660322 1189714903 /nfs/dbraw/zinc/71/49/03/1189714903.db2.gz DMIKLJZZFNEJDB-JKSUJKDBSA-N 2 2 361.490 0.819 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[N@H+]1CC(=O)N(C)C ZINC001087660322 1189714915 /nfs/dbraw/zinc/71/49/15/1189714915.db2.gz DMIKLJZZFNEJDB-JKSUJKDBSA-N 2 2 361.490 0.819 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1nccn1C ZINC001087700653 1189783282 /nfs/dbraw/zinc/78/32/82/1189783282.db2.gz SNQMYOQCIZPQMA-BBWFWOEESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1nccn1C ZINC001087700653 1189783295 /nfs/dbraw/zinc/78/32/95/1189783295.db2.gz SNQMYOQCIZPQMA-BBWFWOEESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1nccn1C ZINC001087700653 1189783307 /nfs/dbraw/zinc/78/33/07/1189783307.db2.gz SNQMYOQCIZPQMA-BBWFWOEESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1nccn1C ZINC001087700653 1189783318 /nfs/dbraw/zinc/78/33/18/1189783318.db2.gz SNQMYOQCIZPQMA-BBWFWOEESA-N 2 2 363.506 0.998 20 0 FCADLP 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CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)C1=O ZINC001075976081 1193890477 /nfs/dbraw/zinc/89/04/77/1193890477.db2.gz IKSSZMJJFLEKQD-VBNZEHGJSA-N 2 2 361.446 0.113 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)C1=O ZINC001075976081 1193890479 /nfs/dbraw/zinc/89/04/79/1193890479.db2.gz IKSSZMJJFLEKQD-VBNZEHGJSA-N 2 2 361.446 0.113 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756962 1193890842 /nfs/dbraw/zinc/89/08/42/1193890842.db2.gz BNNLALJEZLBIBJ-AHZKFYHPSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756962 1193890847 /nfs/dbraw/zinc/89/08/47/1193890847.db2.gz BNNLALJEZLBIBJ-AHZKFYHPSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756962 1193890849 /nfs/dbraw/zinc/89/08/49/1193890849.db2.gz BNNLALJEZLBIBJ-AHZKFYHPSA-N 2 2 371.485 0.727 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ncn2)CC1 ZINC001218573059 1224175898 /nfs/dbraw/zinc/17/58/98/1224175898.db2.gz RLABCQOSOVMIJX-AWEZNQCLSA-N 3 2 359.478 0.041 20 0 FCADLP CN1CCN(c2cc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ncn2)CC1 ZINC001218573059 1224175904 /nfs/dbraw/zinc/17/59/04/1224175904.db2.gz RLABCQOSOVMIJX-AWEZNQCLSA-N 2 2 359.478 0.041 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC000938179682 1193935743 /nfs/dbraw/zinc/93/57/43/1193935743.db2.gz BXQFEXCBYBHAHI-RFBLXINOSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC000938179682 1193935745 /nfs/dbraw/zinc/93/57/45/1193935745.db2.gz BXQFEXCBYBHAHI-RFBLXINOSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000938179682 1193935747 /nfs/dbraw/zinc/93/57/47/1193935747.db2.gz BXQFEXCBYBHAHI-RFBLXINOSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000938179682 1193935749 /nfs/dbraw/zinc/93/57/49/1193935749.db2.gz BXQFEXCBYBHAHI-RFBLXINOSA-N 2 2 359.474 0.961 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668714 1193953232 /nfs/dbraw/zinc/95/32/32/1193953232.db2.gz YMCLCWPUTHAIFE-RWQQGDIJSA-N 2 2 364.490 0.575 20 0 FCADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001218600106 1224180169 /nfs/dbraw/zinc/18/01/69/1224180169.db2.gz IXBXDNQGWWXJLJ-ZWKOTPCHSA-N 2 2 365.449 0.681 20 0 FCADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001218600106 1224180175 /nfs/dbraw/zinc/18/01/75/1224180175.db2.gz IXBXDNQGWWXJLJ-ZWKOTPCHSA-N 2 2 365.449 0.681 20 0 FCADLP Cc1nc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc(N2CCOCC2)n1 ZINC001218621908 1224183266 /nfs/dbraw/zinc/18/32/66/1224183266.db2.gz WBQRPTVNYFUYKI-HNNXBMFYSA-N 2 2 356.430 0.832 20 0 FCADLP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)ccn2)c1 ZINC001218621296 1224183329 /nfs/dbraw/zinc/18/33/29/1224183329.db2.gz OTEMQQMKUAPDBN-CQSZACIVSA-N 2 2 369.385 0.676 20 0 FCADLP CCOC(=O)c1cnn(-c2cc(NC(=O)C3([NH3+])CC[NH2+]CC3)ccn2)c1 ZINC001218623085 1224183456 /nfs/dbraw/zinc/18/34/56/1224183456.db2.gz YNDLDXDCQLSUAU-UHFFFAOYSA-N 2 2 358.402 0.463 20 0 FCADLP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)ccn2)c1 ZINC001218621480 1224183496 /nfs/dbraw/zinc/18/34/96/1224183496.db2.gz RNMLUHJZIMMTPE-LBTNJELSSA-N 2 2 370.413 0.604 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814771 1194092174 /nfs/dbraw/zinc/09/21/74/1194092174.db2.gz IYCYRJSIMPMRAW-HYVNUMGLSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814771 1194092177 /nfs/dbraw/zinc/09/21/77/1194092177.db2.gz IYCYRJSIMPMRAW-HYVNUMGLSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814771 1194092181 /nfs/dbraw/zinc/09/21/81/1194092181.db2.gz IYCYRJSIMPMRAW-HYVNUMGLSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814771 1194092184 /nfs/dbraw/zinc/09/21/84/1194092184.db2.gz IYCYRJSIMPMRAW-HYVNUMGLSA-N 2 2 366.506 0.295 20 0 FCADLP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218659561 1224192068 /nfs/dbraw/zinc/19/20/68/1224192068.db2.gz KKAYBIUELFNIIV-UHFFFAOYSA-N 2 2 372.429 0.393 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000899057581 1194100273 /nfs/dbraw/zinc/10/02/73/1194100273.db2.gz RWNRCZJYUDHKHT-SFHVURJKSA-N 2 2 374.485 0.859 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000899057581 1194100275 /nfs/dbraw/zinc/10/02/75/1194100275.db2.gz RWNRCZJYUDHKHT-SFHVURJKSA-N 2 2 374.485 0.859 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000899057581 1194100277 /nfs/dbraw/zinc/10/02/77/1194100277.db2.gz RWNRCZJYUDHKHT-SFHVURJKSA-N 2 2 374.485 0.859 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000899057581 1194100279 /nfs/dbraw/zinc/10/02/79/1194100279.db2.gz RWNRCZJYUDHKHT-SFHVURJKSA-N 2 2 374.485 0.859 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524753 1194156277 /nfs/dbraw/zinc/15/62/77/1194156277.db2.gz IXCJNWRMJUWDBB-JQHSSLGASA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524753 1194156278 /nfs/dbraw/zinc/15/62/78/1194156278.db2.gz IXCJNWRMJUWDBB-JQHSSLGASA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524753 1194156279 /nfs/dbraw/zinc/15/62/79/1194156279.db2.gz IXCJNWRMJUWDBB-JQHSSLGASA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524753 1194156280 /nfs/dbraw/zinc/15/62/80/1194156280.db2.gz IXCJNWRMJUWDBB-JQHSSLGASA-N 2 2 361.490 0.709 20 0 FCADLP COc1cc2cc(C(N)=O)c(NC(=O)C3([NH3+])CC[NH2+]CC3)nc2cc1OC ZINC001218711061 1224202639 /nfs/dbraw/zinc/20/26/39/1224202639.db2.gz PLMMELFQBWOLKR-UHFFFAOYSA-N 2 2 373.413 0.370 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)nn1 ZINC001076046853 1194273429 /nfs/dbraw/zinc/27/34/29/1194273429.db2.gz PFXQPXWZSGGEHO-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)nn1 ZINC001076046853 1194273433 /nfs/dbraw/zinc/27/34/33/1194273433.db2.gz PFXQPXWZSGGEHO-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)Nc1ccc(O[C@@H]3CC[NH2+]C3)nc1)C[NH2+]C2 ZINC001218727514 1224205983 /nfs/dbraw/zinc/20/59/83/1224205983.db2.gz ZGKSOGDDFJCINE-OLZOCXBDSA-N 2 2 357.418 0.259 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)n1 ZINC001076077852 1194290739 /nfs/dbraw/zinc/29/07/39/1194290739.db2.gz CWMGYMOPZHVJCR-DLBZAZTESA-N 2 2 371.489 0.794 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)n1 ZINC001076077852 1194290743 /nfs/dbraw/zinc/29/07/43/1194290743.db2.gz CWMGYMOPZHVJCR-DLBZAZTESA-N 2 2 371.489 0.794 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)Nc1ccc(N3CCC([NH3+])CC3)nc1)C[NH2+]C2 ZINC001218725592 1224206390 /nfs/dbraw/zinc/20/63/90/1224206390.db2.gz XZSJBUVWIKWXCW-CQSZACIVSA-N 2 2 370.461 0.446 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001076248010 1194366976 /nfs/dbraw/zinc/36/69/76/1194366976.db2.gz SDHNJWCOVYOJOM-DVOMOZLQSA-N 2 2 361.446 0.291 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001076248010 1194366981 /nfs/dbraw/zinc/36/69/81/1194366981.db2.gz SDHNJWCOVYOJOM-DVOMOZLQSA-N 2 2 361.446 0.291 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076295725 1194388003 /nfs/dbraw/zinc/38/80/03/1194388003.db2.gz UVPDBCARRQDPHU-RRQGHBQHSA-N 2 2 357.458 0.638 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076295725 1194388009 /nfs/dbraw/zinc/38/80/09/1194388009.db2.gz UVPDBCARRQDPHU-RRQGHBQHSA-N 2 2 357.458 0.638 20 0 FCADLP COC(=O)c1cc(-c2ccn(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c(=N)c2N)ccc1C ZINC001218770586 1224216429 /nfs/dbraw/zinc/21/64/29/1224216429.db2.gz HCGRWSAYVVKVDM-GJZGRUSLSA-N 2 2 369.425 0.499 20 0 FCADLP COC(=O)c1cc(-c2ccn(C(=O)[C@@H]([NH3+])CC[NH3+])c(=N)c2N)ccc1C ZINC001218771029 1224217289 /nfs/dbraw/zinc/21/72/89/1224217289.db2.gz MNHOHYRVQQUCJO-AWEZNQCLSA-N 2 2 357.414 0.628 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001076462009 1194505515 /nfs/dbraw/zinc/50/55/15/1194505515.db2.gz FLEWQZNJCRHXAZ-FUHWJXTLSA-N 2 2 356.474 0.954 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001076462009 1194505525 /nfs/dbraw/zinc/50/55/25/1194505525.db2.gz FLEWQZNJCRHXAZ-FUHWJXTLSA-N 2 2 356.474 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076500489 1194526463 /nfs/dbraw/zinc/52/64/63/1194526463.db2.gz ALIRWXXMMFJANW-DOTOQJQBSA-N 2 2 359.474 0.806 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076500489 1194526471 /nfs/dbraw/zinc/52/64/71/1194526471.db2.gz ALIRWXXMMFJANW-DOTOQJQBSA-N 2 2 359.474 0.806 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076500666 1194527305 /nfs/dbraw/zinc/52/73/05/1194527305.db2.gz KELDWTGPQSJWSD-DOTOQJQBSA-N 2 2 355.442 0.692 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076500666 1194527316 /nfs/dbraw/zinc/52/73/16/1194527316.db2.gz KELDWTGPQSJWSD-DOTOQJQBSA-N 2 2 355.442 0.692 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568096 1194573798 /nfs/dbraw/zinc/57/37/98/1194573798.db2.gz UTZJXZZLKAHGJR-XYJFISCASA-N 2 2 358.490 0.673 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568096 1194573801 /nfs/dbraw/zinc/57/38/01/1194573801.db2.gz UTZJXZZLKAHGJR-XYJFISCASA-N 2 2 358.490 0.673 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568096 1194573803 /nfs/dbraw/zinc/57/38/03/1194573803.db2.gz UTZJXZZLKAHGJR-XYJFISCASA-N 2 2 358.490 0.673 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568096 1194573807 /nfs/dbraw/zinc/57/38/07/1194573807.db2.gz UTZJXZZLKAHGJR-XYJFISCASA-N 2 2 358.490 0.673 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632569 1194606736 /nfs/dbraw/zinc/60/67/36/1194606736.db2.gz KSAXCJPZROTDBI-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632569 1194606738 /nfs/dbraw/zinc/60/67/38/1194606738.db2.gz KSAXCJPZROTDBI-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805432 1195025201 /nfs/dbraw/zinc/02/52/01/1195025201.db2.gz HKEBRZIZENOOBG-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805432 1195025205 /nfs/dbraw/zinc/02/52/05/1195025205.db2.gz HKEBRZIZENOOBG-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805432 1195025210 /nfs/dbraw/zinc/02/52/10/1195025210.db2.gz HKEBRZIZENOOBG-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805432 1195025213 /nfs/dbraw/zinc/02/52/13/1195025213.db2.gz HKEBRZIZENOOBG-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805582 1195025355 /nfs/dbraw/zinc/02/53/55/1195025355.db2.gz NATGFCNRMYOTIB-BZUAXINKSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805582 1195025358 /nfs/dbraw/zinc/02/53/58/1195025358.db2.gz NATGFCNRMYOTIB-BZUAXINKSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805582 1195025363 /nfs/dbraw/zinc/02/53/63/1195025363.db2.gz NATGFCNRMYOTIB-BZUAXINKSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805582 1195025366 /nfs/dbraw/zinc/02/53/66/1195025366.db2.gz NATGFCNRMYOTIB-BZUAXINKSA-N 2 2 363.458 0.330 20 0 FCADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076835992 1195043117 /nfs/dbraw/zinc/04/31/17/1195043117.db2.gz SWVGWJBSNFVBIX-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076835992 1195043122 /nfs/dbraw/zinc/04/31/22/1195043122.db2.gz SWVGWJBSNFVBIX-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076835992 1195043123 /nfs/dbraw/zinc/04/31/23/1195043123.db2.gz SWVGWJBSNFVBIX-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076835992 1195043127 /nfs/dbraw/zinc/04/31/27/1195043127.db2.gz SWVGWJBSNFVBIX-GUDVDZBRSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076835993 1195043477 /nfs/dbraw/zinc/04/34/77/1195043477.db2.gz SWVGWJBSNFVBIX-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076835993 1195043482 /nfs/dbraw/zinc/04/34/82/1195043482.db2.gz SWVGWJBSNFVBIX-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076835993 1195043484 /nfs/dbraw/zinc/04/34/84/1195043484.db2.gz SWVGWJBSNFVBIX-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076835993 1195043486 /nfs/dbraw/zinc/04/34/86/1195043486.db2.gz SWVGWJBSNFVBIX-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838789 1195044024 /nfs/dbraw/zinc/04/40/24/1195044024.db2.gz MQTHXIVVYXBWBQ-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838789 1195044028 /nfs/dbraw/zinc/04/40/28/1195044028.db2.gz MQTHXIVVYXBWBQ-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838789 1195044032 /nfs/dbraw/zinc/04/40/32/1195044032.db2.gz MQTHXIVVYXBWBQ-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838789 1195044036 /nfs/dbraw/zinc/04/40/36/1195044036.db2.gz MQTHXIVVYXBWBQ-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007628 1195143127 /nfs/dbraw/zinc/14/31/27/1195143127.db2.gz VYXBWGUNRDGKEI-CGTJXYLNSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007628 1195143133 /nfs/dbraw/zinc/14/31/33/1195143133.db2.gz VYXBWGUNRDGKEI-CGTJXYLNSA-N 2 2 362.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077023637 1195160607 /nfs/dbraw/zinc/16/06/07/1195160607.db2.gz LIVNQKNOTUCXMB-MWQQHZPXSA-N 2 2 363.506 0.640 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC[N@H+]1C ZINC001077023637 1195160609 /nfs/dbraw/zinc/16/06/09/1195160609.db2.gz LIVNQKNOTUCXMB-MWQQHZPXSA-N 2 2 363.506 0.640 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC[NH+]1C ZINC001077023637 1195160611 /nfs/dbraw/zinc/16/06/11/1195160611.db2.gz LIVNQKNOTUCXMB-MWQQHZPXSA-N 2 2 363.506 0.640 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC[NH+]1C ZINC001077023637 1195160614 /nfs/dbraw/zinc/16/06/14/1195160614.db2.gz LIVNQKNOTUCXMB-MWQQHZPXSA-N 2 2 363.506 0.640 20 0 FCADLP COC(=O)c1n[nH]c2cccc(NC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)c21 ZINC001218933013 1224263457 /nfs/dbraw/zinc/26/34/57/1224263457.db2.gz VYTQGBSNNAGREG-LLVKDONJSA-N 2 2 360.418 0.038 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)c[nH+]1 ZINC001083563273 1195219937 /nfs/dbraw/zinc/21/99/37/1195219937.db2.gz HHEQTYQUUHUIRC-SJORKVTESA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)c[nH+]1 ZINC001083563273 1195219941 /nfs/dbraw/zinc/21/99/41/1195219941.db2.gz HHEQTYQUUHUIRC-SJORKVTESA-N 2 2 364.490 0.905 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001077127704 1195241263 /nfs/dbraw/zinc/24/12/63/1195241263.db2.gz GBTCIXVKLFDPMM-GVDBMIGSSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001077127704 1195241270 /nfs/dbraw/zinc/24/12/70/1195241270.db2.gz GBTCIXVKLFDPMM-GVDBMIGSSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077127704 1195241277 /nfs/dbraw/zinc/24/12/77/1195241277.db2.gz GBTCIXVKLFDPMM-GVDBMIGSSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077127704 1195241284 /nfs/dbraw/zinc/24/12/84/1195241284.db2.gz GBTCIXVKLFDPMM-GVDBMIGSSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)ncn1 ZINC001077132160 1195249667 /nfs/dbraw/zinc/24/96/67/1195249667.db2.gz QKWWWSHOUSMXLM-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)ncn1 ZINC001077132160 1195249670 /nfs/dbraw/zinc/24/96/70/1195249670.db2.gz QKWWWSHOUSMXLM-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)ncn1 ZINC001077132160 1195249674 /nfs/dbraw/zinc/24/96/74/1195249674.db2.gz QKWWWSHOUSMXLM-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)ncn1 ZINC001077132160 1195249680 /nfs/dbraw/zinc/24/96/80/1195249680.db2.gz QKWWWSHOUSMXLM-KZNAEPCWSA-N 2 2 361.490 0.709 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001083566588 1195299854 /nfs/dbraw/zinc/29/98/54/1195299854.db2.gz RSUIWWSSUXIIRF-XCLJLJHDSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001083566588 1195299859 /nfs/dbraw/zinc/29/98/59/1195299859.db2.gz RSUIWWSSUXIIRF-XCLJLJHDSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001083566588 1195299865 /nfs/dbraw/zinc/29/98/65/1195299865.db2.gz RSUIWWSSUXIIRF-XCLJLJHDSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@H]2O)O1 ZINC001083566588 1195299871 /nfs/dbraw/zinc/29/98/71/1195299871.db2.gz RSUIWWSSUXIIRF-XCLJLJHDSA-N 2 2 359.470 0.580 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566635 1195300753 /nfs/dbraw/zinc/30/07/53/1195300753.db2.gz USGWQLAAKAHZHN-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566635 1195300757 /nfs/dbraw/zinc/30/07/57/1195300757.db2.gz USGWQLAAKAHZHN-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566635 1195300764 /nfs/dbraw/zinc/30/07/64/1195300764.db2.gz USGWQLAAKAHZHN-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566635 1195300767 /nfs/dbraw/zinc/30/07/67/1195300767.db2.gz USGWQLAAKAHZHN-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CCC1 ZINC001077217971 1195327382 /nfs/dbraw/zinc/32/73/82/1195327382.db2.gz LKVVZVWXZFKIIL-BRWVUGGUSA-N 2 2 364.490 0.903 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CCC1 ZINC001077217971 1195327384 /nfs/dbraw/zinc/32/73/84/1195327384.db2.gz LKVVZVWXZFKIIL-BRWVUGGUSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219022 1195328187 /nfs/dbraw/zinc/32/81/87/1195328187.db2.gz GMGALUUJHXPPFU-IAGOWNOFSA-N 2 2 359.474 0.322 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219022 1195328195 /nfs/dbraw/zinc/32/81/95/1195328195.db2.gz GMGALUUJHXPPFU-IAGOWNOFSA-N 2 2 359.474 0.322 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251798 1195357559 /nfs/dbraw/zinc/35/75/59/1195357559.db2.gz PNWYIROTRXIPDO-BHIYHBOVSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251798 1195357562 /nfs/dbraw/zinc/35/75/62/1195357562.db2.gz PNWYIROTRXIPDO-BHIYHBOVSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077259618 1195364277 /nfs/dbraw/zinc/36/42/77/1195364277.db2.gz XMLLMXGVOIZRCW-KZNAEPCWSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077259618 1195364280 /nfs/dbraw/zinc/36/42/80/1195364280.db2.gz XMLLMXGVOIZRCW-KZNAEPCWSA-N 2 2 354.454 0.850 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573761 1195448655 /nfs/dbraw/zinc/44/86/55/1195448655.db2.gz UEKXMPCIQBXKJH-NEWSRXKRSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573761 1195448658 /nfs/dbraw/zinc/44/86/58/1195448658.db2.gz UEKXMPCIQBXKJH-NEWSRXKRSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573761 1195448663 /nfs/dbraw/zinc/44/86/63/1195448663.db2.gz UEKXMPCIQBXKJH-NEWSRXKRSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573761 1195448667 /nfs/dbraw/zinc/44/86/67/1195448667.db2.gz UEKXMPCIQBXKJH-NEWSRXKRSA-N 2 2 360.502 0.898 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366564 1195466120 /nfs/dbraw/zinc/46/61/20/1195466120.db2.gz OPWWPDNTAWIZBD-ZIAGYGMSSA-N 2 2 369.347 0.995 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366564 1195466123 /nfs/dbraw/zinc/46/61/23/1195466123.db2.gz OPWWPDNTAWIZBD-ZIAGYGMSSA-N 2 2 369.347 0.995 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)ccc1C ZINC001077394864 1195491931 /nfs/dbraw/zinc/49/19/31/1195491931.db2.gz HOBNHFXBIAXLOR-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)ccc1C ZINC001077394864 1195491933 /nfs/dbraw/zinc/49/19/33/1195491933.db2.gz HOBNHFXBIAXLOR-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)no1 ZINC001083590551 1195585619 /nfs/dbraw/zinc/58/56/19/1195585619.db2.gz KLSJIFQPFQINCP-MSOLQXFVSA-N 2 2 358.442 0.754 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2O)no1 ZINC001083590551 1195585631 /nfs/dbraw/zinc/58/56/31/1195585631.db2.gz KLSJIFQPFQINCP-MSOLQXFVSA-N 2 2 358.442 0.754 20 0 FCADLP O=C(CC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)Nc1cccnc1 ZINC000905445993 1195585962 /nfs/dbraw/zinc/58/59/62/1195585962.db2.gz ASFHAJHGFPYBJK-GOSISDBHSA-N 2 2 361.490 0.796 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)no1 ZINC001083590654 1195586456 /nfs/dbraw/zinc/58/64/56/1195586456.db2.gz PPMJKATUZGOTJZ-BMFZPTHFSA-N 2 2 366.462 0.326 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)no1 ZINC001083590654 1195586465 /nfs/dbraw/zinc/58/64/65/1195586465.db2.gz PPMJKATUZGOTJZ-BMFZPTHFSA-N 2 2 366.462 0.326 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591418 1195590912 /nfs/dbraw/zinc/59/09/12/1195590912.db2.gz BMPNHJKIMRIJJG-VUCTXSBTSA-N 2 2 371.441 0.085 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591418 1195590918 /nfs/dbraw/zinc/59/09/18/1195590918.db2.gz BMPNHJKIMRIJJG-VUCTXSBTSA-N 2 2 371.441 0.085 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(-c4ccn(C)n4)nn3)CC2)CC1 ZINC000906320714 1195625323 /nfs/dbraw/zinc/62/53/23/1195625323.db2.gz MSGDEHQBSLQADO-UHFFFAOYSA-N 2 2 372.521 0.993 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn(-c4ccn(C)n4)nn3)CC2)CC1 ZINC000906320714 1195625328 /nfs/dbraw/zinc/62/53/28/1195625328.db2.gz MSGDEHQBSLQADO-UHFFFAOYSA-N 2 2 372.521 0.993 20 0 FCADLP COc1cc(OC)nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000906385751 1195629099 /nfs/dbraw/zinc/62/90/99/1195629099.db2.gz RWUDEMGHWUZVAS-UHFFFAOYSA-N 2 2 358.402 0.893 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587857 1195703400 /nfs/dbraw/zinc/70/34/00/1195703400.db2.gz LLTYHLUVXBSHDY-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587857 1195703405 /nfs/dbraw/zinc/70/34/05/1195703405.db2.gz LLTYHLUVXBSHDY-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587857 1195703407 /nfs/dbraw/zinc/70/34/07/1195703407.db2.gz LLTYHLUVXBSHDY-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000907587857 1195703412 /nfs/dbraw/zinc/70/34/12/1195703412.db2.gz LLTYHLUVXBSHDY-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000908542069 1195753575 /nfs/dbraw/zinc/75/35/75/1195753575.db2.gz WHRRQENFODNJBD-KRWDZBQOSA-N 2 2 364.490 0.397 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000908542069 1195753579 /nfs/dbraw/zinc/75/35/79/1195753579.db2.gz WHRRQENFODNJBD-KRWDZBQOSA-N 2 2 364.490 0.397 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000910289178 1195811152 /nfs/dbraw/zinc/81/11/52/1195811152.db2.gz QCYUNKGNOXMICG-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000910289178 1195811153 /nfs/dbraw/zinc/81/11/53/1195811153.db2.gz QCYUNKGNOXMICG-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910572044 1195821189 /nfs/dbraw/zinc/82/11/89/1195821189.db2.gz GHEHBLVRXZVINJ-INIZCTEOSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910572044 1195821192 /nfs/dbraw/zinc/82/11/92/1195821192.db2.gz GHEHBLVRXZVINJ-INIZCTEOSA-N 2 2 369.506 0.831 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1(C)C ZINC000910640633 1195827977 /nfs/dbraw/zinc/82/79/77/1195827977.db2.gz VBGAYGBDDOBKHV-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1(C)C ZINC000910640633 1195827982 /nfs/dbraw/zinc/82/79/82/1195827982.db2.gz VBGAYGBDDOBKHV-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001219033245 1224306541 /nfs/dbraw/zinc/30/65/41/1224306541.db2.gz GCQAYFOZPCRCPT-ZWKOTPCHSA-N 2 2 362.474 0.920 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001219033245 1224306546 /nfs/dbraw/zinc/30/65/46/1224306546.db2.gz GCQAYFOZPCRCPT-ZWKOTPCHSA-N 2 2 362.474 0.920 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000910792563 1195842746 /nfs/dbraw/zinc/84/27/46/1195842746.db2.gz BTHLMCISIFDNIG-KRWDZBQOSA-N 2 2 368.522 0.236 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033915 1224307709 /nfs/dbraw/zinc/30/77/09/1224307709.db2.gz ZHIFYRKSJJCGPK-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033915 1224307715 /nfs/dbraw/zinc/30/77/15/1224307715.db2.gz ZHIFYRKSJJCGPK-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000910951784 1195868069 /nfs/dbraw/zinc/86/80/69/1195868069.db2.gz FDXJONDBZMBZPC-ROUUACIJSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000910951784 1195868072 /nfs/dbraw/zinc/86/80/72/1195868072.db2.gz FDXJONDBZMBZPC-ROUUACIJSA-N 2 2 374.485 0.201 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000911288939 1195933612 /nfs/dbraw/zinc/93/36/12/1195933612.db2.gz UOTLHWKEPCKGMW-INIZCTEOSA-N 2 2 369.506 0.831 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000911369223 1195949844 /nfs/dbraw/zinc/94/98/44/1195949844.db2.gz XQLACSKWCOCSCQ-WBVHZDCISA-N 2 2 355.442 0.938 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052110 1224320856 /nfs/dbraw/zinc/32/08/56/1224320856.db2.gz GBRUFORTLXWDNV-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052110 1224320862 /nfs/dbraw/zinc/32/08/62/1224320862.db2.gz GBRUFORTLXWDNV-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052110 1224320872 /nfs/dbraw/zinc/32/08/72/1224320872.db2.gz GBRUFORTLXWDNV-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052110 1224320874 /nfs/dbraw/zinc/32/08/74/1224320874.db2.gz GBRUFORTLXWDNV-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054884 1224325213 /nfs/dbraw/zinc/32/52/13/1224325213.db2.gz OMPYQGIGMWQUCU-YESZJQIVSA-N 2 2 368.522 0.494 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054884 1224325218 /nfs/dbraw/zinc/32/52/18/1224325218.db2.gz OMPYQGIGMWQUCU-YESZJQIVSA-N 2 2 368.522 0.494 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054884 1224325227 /nfs/dbraw/zinc/32/52/27/1224325227.db2.gz OMPYQGIGMWQUCU-YESZJQIVSA-N 2 2 368.522 0.494 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054884 1224325237 /nfs/dbraw/zinc/32/52/37/1224325237.db2.gz OMPYQGIGMWQUCU-YESZJQIVSA-N 2 2 368.522 0.494 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3CO)cc2)CC1 ZINC000912746490 1196366821 /nfs/dbraw/zinc/36/68/21/1196366821.db2.gz LBQPYUIUTFPFMX-LJQANCHMSA-N 2 2 360.502 0.966 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)cc2)CC1 ZINC000912746490 1196366827 /nfs/dbraw/zinc/36/68/27/1196366827.db2.gz LBQPYUIUTFPFMX-LJQANCHMSA-N 2 2 360.502 0.966 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077443967 1196399136 /nfs/dbraw/zinc/39/91/36/1196399136.db2.gz DQGGXYUFGWWCAY-RTBURBONSA-N 2 2 371.485 0.499 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1=O ZINC000913448146 1196435790 /nfs/dbraw/zinc/43/57/90/1196435790.db2.gz RDOJNIUTXMDLBV-UAGQMJEPSA-N 2 2 374.489 0.215 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1=O ZINC000913448146 1196435795 /nfs/dbraw/zinc/43/57/95/1196435795.db2.gz RDOJNIUTXMDLBV-UAGQMJEPSA-N 2 2 374.489 0.215 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+](C)[C@H](CO)C3)cc21 ZINC000913541500 1196453306 /nfs/dbraw/zinc/45/33/06/1196453306.db2.gz OAJZMOWHEAXTFM-AWEZNQCLSA-N 2 2 361.446 0.052 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)cc21 ZINC000913541500 1196453317 /nfs/dbraw/zinc/45/33/17/1196453317.db2.gz OAJZMOWHEAXTFM-AWEZNQCLSA-N 2 2 361.446 0.052 20 0 FCADLP CCO[C@@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082993 1196539034 /nfs/dbraw/zinc/53/90/34/1196539034.db2.gz YNVLCQYSMTVJLL-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)cn1 ZINC000592560213 1196568452 /nfs/dbraw/zinc/56/84/52/1196568452.db2.gz DIIGXDQYADCQGW-MRXNPFEDSA-N 2 2 371.489 0.801 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)cn1 ZINC000592560213 1196568453 /nfs/dbraw/zinc/56/84/53/1196568453.db2.gz DIIGXDQYADCQGW-MRXNPFEDSA-N 2 2 371.489 0.801 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958945 1196601045 /nfs/dbraw/zinc/60/10/45/1196601045.db2.gz AGSTZVGYQCHDBK-LSDHHAIUSA-N 3 2 360.506 0.618 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958945 1196601047 /nfs/dbraw/zinc/60/10/47/1196601047.db2.gz AGSTZVGYQCHDBK-LSDHHAIUSA-N 3 2 360.506 0.618 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000594158994 1196693408 /nfs/dbraw/zinc/69/34/08/1196693408.db2.gz SSXMIRGUOAFTRF-INIZCTEOSA-N 2 2 369.554 0.811 20 0 FCADLP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515415 1196801708 /nfs/dbraw/zinc/80/17/08/1196801708.db2.gz WNWQOFKWRJSYHJ-AYOQOUSVSA-N 2 2 361.486 0.764 20 0 FCADLP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515415 1196801710 /nfs/dbraw/zinc/80/17/10/1196801710.db2.gz WNWQOFKWRJSYHJ-AYOQOUSVSA-N 2 2 361.486 0.764 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001083677186 1196810967 /nfs/dbraw/zinc/81/09/67/1196810967.db2.gz HMJYBSXMZALENT-OLMNPRSZSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001083677186 1196810968 /nfs/dbraw/zinc/81/09/68/1196810968.db2.gz HMJYBSXMZALENT-OLMNPRSZSA-N 2 2 356.426 0.684 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088981254 1196856432 /nfs/dbraw/zinc/85/64/32/1196856432.db2.gz KGHRYXACSDGMMU-DYVFJYSZSA-N 2 2 355.442 0.841 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053478 1196877032 /nfs/dbraw/zinc/87/70/32/1196877032.db2.gz YIDRBBAGZIZWRM-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053478 1196877033 /nfs/dbraw/zinc/87/70/33/1196877033.db2.gz YIDRBBAGZIZWRM-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053478 1196877035 /nfs/dbraw/zinc/87/70/35/1196877035.db2.gz YIDRBBAGZIZWRM-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053478 1196877036 /nfs/dbraw/zinc/87/70/36/1196877036.db2.gz YIDRBBAGZIZWRM-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000992056880 1196924531 /nfs/dbraw/zinc/92/45/31/1196924531.db2.gz MSRGROKUGZKABJ-DJIMGWMZSA-N 2 2 371.485 0.575 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000992241332 1197030652 /nfs/dbraw/zinc/03/06/52/1197030652.db2.gz UCUILXPDVMADPI-QDIHITRGSA-N 2 2 371.485 0.630 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3c[nH+]cn31)CC2 ZINC001272447561 1197082940 /nfs/dbraw/zinc/08/29/40/1197082940.db2.gz YWYVTHYRHANKPB-INIZCTEOSA-N 2 2 359.474 0.773 20 0 FCADLP C[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2)n1cc[nH+]c1 ZINC001272451424 1197084117 /nfs/dbraw/zinc/08/41/17/1197084117.db2.gz GPKKJSLAHBOPBR-ZBFHGGJFSA-N 2 2 357.458 0.599 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001272466741 1197100209 /nfs/dbraw/zinc/10/02/09/1197100209.db2.gz HNNNZYJBSVVTHJ-IMJJTQAJSA-N 2 2 357.414 0.250 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001272466741 1197100217 /nfs/dbraw/zinc/10/02/17/1197100217.db2.gz HNNNZYJBSVVTHJ-IMJJTQAJSA-N 2 2 357.414 0.250 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992993027 1197653576 /nfs/dbraw/zinc/65/35/76/1197653576.db2.gz LLJAENDAKFCQKP-YZLZLFLDSA-N 2 2 373.501 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992993027 1197653578 /nfs/dbraw/zinc/65/35/78/1197653578.db2.gz LLJAENDAKFCQKP-YZLZLFLDSA-N 2 2 373.501 0.920 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1)[NH+](C)C ZINC000993029814 1197700354 /nfs/dbraw/zinc/70/03/54/1197700354.db2.gz CISYKNDNNIZHHT-AYBZRNKSSA-N 2 2 361.490 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993045192 1197731559 /nfs/dbraw/zinc/73/15/59/1197731559.db2.gz DDSONMRDWGLBFY-DOHHPOSVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993045192 1197731572 /nfs/dbraw/zinc/73/15/72/1197731572.db2.gz DDSONMRDWGLBFY-DOHHPOSVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993045192 1197731590 /nfs/dbraw/zinc/73/15/90/1197731590.db2.gz DDSONMRDWGLBFY-DOHHPOSVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993045192 1197731604 /nfs/dbraw/zinc/73/16/04/1197731604.db2.gz DDSONMRDWGLBFY-DOHHPOSVSA-N 2 2 373.501 0.989 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001085242795 1197739045 /nfs/dbraw/zinc/73/90/45/1197739045.db2.gz HXFPVANGRRAESE-DTZQCDIJSA-N 2 2 366.462 0.919 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001085242795 1197739055 /nfs/dbraw/zinc/73/90/55/1197739055.db2.gz HXFPVANGRRAESE-DTZQCDIJSA-N 2 2 366.462 0.919 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(=O)NCc3ccccc3)C2)CC1 ZINC000734270138 1197741615 /nfs/dbraw/zinc/74/16/15/1197741615.db2.gz PBMJPZMMDUZGIB-QGZVFWFLSA-N 2 2 373.501 0.771 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(=O)NCc3ccccc3)C2)CC1 ZINC000734270138 1197741625 /nfs/dbraw/zinc/74/16/25/1197741625.db2.gz PBMJPZMMDUZGIB-QGZVFWFLSA-N 2 2 373.501 0.771 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085249900 1197746950 /nfs/dbraw/zinc/74/69/50/1197746950.db2.gz VWOQUWODKLRQLZ-NUEKZKHPSA-N 2 2 357.462 0.791 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085250451 1197749395 /nfs/dbraw/zinc/74/93/95/1197749395.db2.gz VBKAGPLZTGXOQA-DJIMGWMZSA-N 2 2 357.462 0.754 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)n1 ZINC001085260577 1197760689 /nfs/dbraw/zinc/76/06/89/1197760689.db2.gz UNPVDCUFCPKFIZ-HUUCEWRRSA-N 2 2 354.418 0.689 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C(C)C ZINC001085274505 1197780400 /nfs/dbraw/zinc/78/04/00/1197780400.db2.gz IKYGBHZCFURBCP-HUUCEWRRSA-N 2 2 360.466 0.976 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)cc1 ZINC001083725829 1197809673 /nfs/dbraw/zinc/80/96/73/1197809673.db2.gz PWSLBWAJJOSBCG-CEXWTWQISA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cc1 ZINC001083725829 1197809676 /nfs/dbraw/zinc/80/96/76/1197809676.db2.gz PWSLBWAJJOSBCG-CEXWTWQISA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cc1 ZINC001083725829 1197809678 /nfs/dbraw/zinc/80/96/78/1197809678.db2.gz PWSLBWAJJOSBCG-CEXWTWQISA-N 2 2 361.486 0.766 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993087582 1197811174 /nfs/dbraw/zinc/81/11/74/1197811174.db2.gz TVQPLUMDRWTHOP-MDZRGWNJSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993087582 1197811176 /nfs/dbraw/zinc/81/11/76/1197811176.db2.gz TVQPLUMDRWTHOP-MDZRGWNJSA-N 2 2 359.474 0.532 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727253 1197831870 /nfs/dbraw/zinc/83/18/70/1197831870.db2.gz SWJBYWYJJFINBQ-DIECFANBSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727253 1197831873 /nfs/dbraw/zinc/83/18/73/1197831873.db2.gz SWJBYWYJJFINBQ-DIECFANBSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727253 1197831879 /nfs/dbraw/zinc/83/18/79/1197831879.db2.gz SWJBYWYJJFINBQ-DIECFANBSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)n1 ZINC001083727253 1197831883 /nfs/dbraw/zinc/83/18/83/1197831883.db2.gz SWJBYWYJJFINBQ-DIECFANBSA-N 2 2 362.474 0.482 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357960 1224439717 /nfs/dbraw/zinc/43/97/17/1224439717.db2.gz RLSVFGJDSNILBF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357960 1224439725 /nfs/dbraw/zinc/43/97/25/1224439725.db2.gz RLSVFGJDSNILBF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357960 1224439733 /nfs/dbraw/zinc/43/97/33/1224439733.db2.gz RLSVFGJDSNILBF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357960 1224439740 /nfs/dbraw/zinc/43/97/40/1224439740.db2.gz RLSVFGJDSNILBF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200866 1197838277 /nfs/dbraw/zinc/83/82/77/1197838277.db2.gz CNVBYFNDEBCMKM-RRFJBIMHSA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200866 1197838278 /nfs/dbraw/zinc/83/82/78/1197838278.db2.gz CNVBYFNDEBCMKM-RRFJBIMHSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106461770 1197943913 /nfs/dbraw/zinc/94/39/13/1197943913.db2.gz MTUSVISYNSHPMM-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001106474460 1197957876 /nfs/dbraw/zinc/95/78/76/1197957876.db2.gz NHBCVARWADNUNQ-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001106474460 1197957884 /nfs/dbraw/zinc/95/78/84/1197957884.db2.gz NHBCVARWADNUNQ-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106499393 1197976963 /nfs/dbraw/zinc/97/69/63/1197976963.db2.gz IBSUUZBKCXUGQG-BRWVUGGUSA-N 2 2 360.462 0.215 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993200331 1198020112 /nfs/dbraw/zinc/02/01/12/1198020112.db2.gz FRXPHVZGKBKNRT-HNAYVOBHSA-N 2 2 359.474 0.663 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822853 1198020310 /nfs/dbraw/zinc/02/03/10/1198020310.db2.gz SYKLZQAMUYCQHC-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP CN(C[C@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822853 1198020325 /nfs/dbraw/zinc/02/03/25/1198020325.db2.gz SYKLZQAMUYCQHC-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120768 1198181409 /nfs/dbraw/zinc/18/14/09/1198181409.db2.gz NDRLFDZJBQCEQO-LVQVYYBASA-N 2 2 364.494 0.392 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120768 1198181431 /nfs/dbraw/zinc/18/14/31/1198181431.db2.gz NDRLFDZJBQCEQO-LVQVYYBASA-N 2 2 364.494 0.392 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086120586 1198181854 /nfs/dbraw/zinc/18/18/54/1198181854.db2.gz FFGNJWUEPJFVPJ-PNBKFKSVSA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086120586 1198181885 /nfs/dbraw/zinc/18/18/85/1198181885.db2.gz FFGNJWUEPJFVPJ-PNBKFKSVSA-N 2 2 364.494 0.563 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181199351 1198284643 /nfs/dbraw/zinc/28/46/43/1198284643.db2.gz KEROICILMDTLHL-GOSISDBHSA-N 2 2 368.522 0.851 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181199351 1198284661 /nfs/dbraw/zinc/28/46/61/1198284661.db2.gz KEROICILMDTLHL-GOSISDBHSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001086400431 1198355221 /nfs/dbraw/zinc/35/52/21/1198355221.db2.gz HBYCKSSCZUCROP-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001086400431 1198355233 /nfs/dbraw/zinc/35/52/33/1198355233.db2.gz HBYCKSSCZUCROP-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498346 1224487652 /nfs/dbraw/zinc/48/76/52/1224487652.db2.gz WTMJCOMIAZWEOK-KPZWWZAWSA-N 3 2 370.413 0.110 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501498 1224489279 /nfs/dbraw/zinc/48/92/79/1224489279.db2.gz VMUNTCZVPMRZMJ-WPZAJUNFSA-N 3 2 371.441 0.039 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794298 1198945631 /nfs/dbraw/zinc/94/56/31/1198945631.db2.gz YORLYWIAYYPZJO-ROUUACIJSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794298 1198945634 /nfs/dbraw/zinc/94/56/34/1198945634.db2.gz YORLYWIAYYPZJO-ROUUACIJSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000745794298 1198945639 /nfs/dbraw/zinc/94/56/39/1198945639.db2.gz YORLYWIAYYPZJO-ROUUACIJSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000745794298 1198945643 /nfs/dbraw/zinc/94/56/43/1198945643.db2.gz YORLYWIAYYPZJO-ROUUACIJSA-N 3 2 369.554 0.765 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001086482191 1198956268 /nfs/dbraw/zinc/95/62/68/1198956268.db2.gz SQJVVRDCBNANOK-QBPKDAKJSA-N 2 2 369.469 0.907 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001169075543 1199045161 /nfs/dbraw/zinc/04/51/61/1199045161.db2.gz SLLGDJVFURULAM-CYBMUJFWSA-N 3 2 358.446 0.608 20 0 FCADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001169124737 1199045579 /nfs/dbraw/zinc/04/55/79/1199045579.db2.gz SOXWXYYKCZPYRP-FUJDEKNSSA-N 2 2 358.486 0.803 20 0 FCADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001169124737 1199045580 /nfs/dbraw/zinc/04/55/80/1199045580.db2.gz SOXWXYYKCZPYRP-FUJDEKNSSA-N 2 2 358.486 0.803 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001169123359 1199046400 /nfs/dbraw/zinc/04/64/00/1199046400.db2.gz KAAVMSQVMQYJJM-MPTYRVRUSA-N 2 2 360.458 0.120 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001169123359 1199046403 /nfs/dbraw/zinc/04/64/03/1199046403.db2.gz KAAVMSQVMQYJJM-MPTYRVRUSA-N 2 2 360.458 0.120 20 0 FCADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)CO1 ZINC001169390790 1199063461 /nfs/dbraw/zinc/06/34/61/1199063461.db2.gz WCGAYOGDNJTEJM-HZPDHXFCSA-N 2 2 367.490 0.774 20 0 FCADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CO1 ZINC001169390790 1199063464 /nfs/dbraw/zinc/06/34/64/1199063464.db2.gz WCGAYOGDNJTEJM-HZPDHXFCSA-N 2 2 367.490 0.774 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219665686 1224549331 /nfs/dbraw/zinc/54/93/31/1224549331.db2.gz TWGOVEYSBCZOHK-OIISXLGYSA-N 2 2 364.490 0.985 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219665686 1224549338 /nfs/dbraw/zinc/54/93/38/1224549338.db2.gz TWGOVEYSBCZOHK-OIISXLGYSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129385433 1200098861 /nfs/dbraw/zinc/09/88/61/1200098861.db2.gz MUHWSBUTHJNJES-CVEARBPZSA-N 2 2 361.450 0.021 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129385433 1200098866 /nfs/dbraw/zinc/09/88/66/1200098866.db2.gz MUHWSBUTHJNJES-CVEARBPZSA-N 2 2 361.450 0.021 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223115 1200118286 /nfs/dbraw/zinc/11/82/86/1200118286.db2.gz MEFOWWKXINBBBT-PMPSAXMXSA-N 2 2 363.462 0.217 20 0 FCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223115 1200118294 /nfs/dbraw/zinc/11/82/94/1200118294.db2.gz MEFOWWKXINBBBT-PMPSAXMXSA-N 2 2 363.462 0.217 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109222634 1200118974 /nfs/dbraw/zinc/11/89/74/1200118974.db2.gz FRPPZCQPTWBWFV-FZKCQIBNSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109222634 1200118977 /nfs/dbraw/zinc/11/89/77/1200118977.db2.gz FRPPZCQPTWBWFV-FZKCQIBNSA-N 2 2 359.474 0.980 20 0 FCADLP C[C@@H](CN(C)c1ncnc2c1C[N@H+](C)CC2)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001109284495 1200144052 /nfs/dbraw/zinc/14/40/52/1200144052.db2.gz SMMYAPAZOREBGU-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H](CN(C)c1ncnc2c1C[N@@H+](C)CC2)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001109284495 1200144059 /nfs/dbraw/zinc/14/40/59/1200144059.db2.gz SMMYAPAZOREBGU-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H](CN(C)c1ncnc2c1C[NH+](C)CC2)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001109284495 1200144062 /nfs/dbraw/zinc/14/40/62/1200144062.db2.gz SMMYAPAZOREBGU-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H](CN(C)c1ncnc2c1C[NH+](C)CC2)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001109284495 1200144065 /nfs/dbraw/zinc/14/40/65/1200144065.db2.gz SMMYAPAZOREBGU-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001109362914 1200213998 /nfs/dbraw/zinc/21/39/98/1200213998.db2.gz JGCOPMAPEOZJNF-QZWWFDLISA-N 2 2 368.497 0.914 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001109362914 1200214005 /nfs/dbraw/zinc/21/40/05/1200214005.db2.gz JGCOPMAPEOZJNF-QZWWFDLISA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)O1 ZINC001109442818 1200288727 /nfs/dbraw/zinc/28/87/27/1200288727.db2.gz IFVUCFLBKNMIMS-RBGFHDKUSA-N 2 2 366.506 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)O1 ZINC001109442818 1200288732 /nfs/dbraw/zinc/28/87/32/1200288732.db2.gz IFVUCFLBKNMIMS-RBGFHDKUSA-N 2 2 366.506 0.342 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)O1 ZINC001109442818 1200288735 /nfs/dbraw/zinc/28/87/35/1200288735.db2.gz IFVUCFLBKNMIMS-RBGFHDKUSA-N 2 2 366.506 0.342 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)O1 ZINC001109442818 1200288738 /nfs/dbraw/zinc/28/87/38/1200288738.db2.gz IFVUCFLBKNMIMS-RBGFHDKUSA-N 2 2 366.506 0.342 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1)[NH+](C)C ZINC001109446455 1200290975 /nfs/dbraw/zinc/29/09/75/1200290975.db2.gz QDRKWYXJNUCLLC-QXSJWSMHSA-N 2 2 372.473 0.584 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1)[NH+](C)C ZINC001109446455 1200290986 /nfs/dbraw/zinc/29/09/86/1200290986.db2.gz QDRKWYXJNUCLLC-QXSJWSMHSA-N 2 2 372.473 0.584 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109581107 1200402082 /nfs/dbraw/zinc/40/20/82/1200402082.db2.gz JOZIJYNZXPPILT-NCOADZHNSA-N 2 2 359.474 0.911 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109581107 1200402088 /nfs/dbraw/zinc/40/20/88/1200402088.db2.gz JOZIJYNZXPPILT-NCOADZHNSA-N 2 2 359.474 0.911 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001109651287 1200443321 /nfs/dbraw/zinc/44/33/21/1200443321.db2.gz SMDAQVZAEHRGNN-SIXLDLHFSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001109651287 1200443326 /nfs/dbraw/zinc/44/33/26/1200443326.db2.gz SMDAQVZAEHRGNN-SIXLDLHFSA-N 2 2 362.518 0.964 20 0 FCADLP COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671315 1200458324 /nfs/dbraw/zinc/45/83/24/1200458324.db2.gz BOGIZEOZNMBNSH-QZWWFDLISA-N 2 2 363.462 0.215 20 0 FCADLP COCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671315 1200458330 /nfs/dbraw/zinc/45/83/30/1200458330.db2.gz BOGIZEOZNMBNSH-QZWWFDLISA-N 2 2 363.462 0.215 20 0 FCADLP COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671315 1200458336 /nfs/dbraw/zinc/45/83/36/1200458336.db2.gz BOGIZEOZNMBNSH-QZWWFDLISA-N 2 2 363.462 0.215 20 0 FCADLP COCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001109671315 1200458339 /nfs/dbraw/zinc/45/83/39/1200458339.db2.gz BOGIZEOZNMBNSH-QZWWFDLISA-N 2 2 363.462 0.215 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109733210 1200494837 /nfs/dbraw/zinc/49/48/37/1200494837.db2.gz HXAAZVBJBJORAX-QPSCCSFWSA-N 2 2 365.478 0.036 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109733210 1200494841 /nfs/dbraw/zinc/49/48/41/1200494841.db2.gz HXAAZVBJBJORAX-QPSCCSFWSA-N 2 2 365.478 0.036 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001109735418 1200495022 /nfs/dbraw/zinc/49/50/22/1200495022.db2.gz FXMBADRCLJTNPB-MTSZKFMLSA-N 2 2 371.485 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001109735418 1200495026 /nfs/dbraw/zinc/49/50/26/1200495026.db2.gz FXMBADRCLJTNPB-MTSZKFMLSA-N 2 2 371.485 0.771 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847768 1200559577 /nfs/dbraw/zinc/55/95/77/1200559577.db2.gz GMDYZJQXYUUMBS-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847768 1200559583 /nfs/dbraw/zinc/55/95/83/1200559583.db2.gz GMDYZJQXYUUMBS-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848159 1200561501 /nfs/dbraw/zinc/56/15/01/1200561501.db2.gz YZVAVCQPSZEEGS-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848159 1200561509 /nfs/dbraw/zinc/56/15/09/1200561509.db2.gz YZVAVCQPSZEEGS-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219800283 1224619084 /nfs/dbraw/zinc/61/90/84/1224619084.db2.gz JWUYGKSUENNDME-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219800283 1224619093 /nfs/dbraw/zinc/61/90/93/1224619093.db2.gz JWUYGKSUENNDME-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CCC1 ZINC001219802447 1224621009 /nfs/dbraw/zinc/62/10/09/1224621009.db2.gz OSIRJDMPQLCLSE-SJORKVTESA-N 2 2 365.449 0.464 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CCC1 ZINC001219802447 1224621014 /nfs/dbraw/zinc/62/10/14/1224621014.db2.gz OSIRJDMPQLCLSE-SJORKVTESA-N 2 2 365.449 0.464 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109934234 1200618857 /nfs/dbraw/zinc/61/88/57/1200618857.db2.gz VQFGVZZSGVDZSF-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109934234 1200618860 /nfs/dbraw/zinc/61/88/60/1200618860.db2.gz VQFGVZZSGVDZSF-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109934234 1200618863 /nfs/dbraw/zinc/61/88/63/1200618863.db2.gz VQFGVZZSGVDZSF-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109934234 1200618866 /nfs/dbraw/zinc/61/88/66/1200618866.db2.gz VQFGVZZSGVDZSF-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@@H]2O)CCC1 ZINC001219801981 1224621913 /nfs/dbraw/zinc/62/19/13/1224621913.db2.gz ATBMTHIDBSFLKL-CVEARBPZSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@@H]2O)CCC1 ZINC001219801981 1224621917 /nfs/dbraw/zinc/62/19/17/1224621917.db2.gz ATBMTHIDBSFLKL-CVEARBPZSA-N 2 2 366.506 0.035 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1F ZINC001219803800 1224623152 /nfs/dbraw/zinc/62/31/52/1224623152.db2.gz GHZXDQLGBRDJIT-SOLBZPMBSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1F ZINC001219803800 1224623159 /nfs/dbraw/zinc/62/31/59/1224623159.db2.gz GHZXDQLGBRDJIT-SOLBZPMBSA-N 2 2 365.449 0.836 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803835 1224623214 /nfs/dbraw/zinc/62/32/14/1224623214.db2.gz GORDIXGXXDQWIP-RVKKMQEKSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803835 1224623217 /nfs/dbraw/zinc/62/32/17/1224623217.db2.gz GORDIXGXXDQWIP-RVKKMQEKSA-N 2 2 364.490 0.937 20 0 FCADLP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2)C1CC1 ZINC001112551605 1200772867 /nfs/dbraw/zinc/77/28/67/1200772867.db2.gz IDBLDHIGESIQMZ-LIRRHRJNSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112552254 1200780219 /nfs/dbraw/zinc/78/02/19/1200780219.db2.gz OPEBKWLPGJBBKF-KXBFYZLASA-N 2 2 359.474 0.697 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571653 1200803671 /nfs/dbraw/zinc/80/36/71/1200803671.db2.gz HTVZOWBSCGBZFX-WDYCEAGBSA-N 2 2 364.490 0.578 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571698 1200803715 /nfs/dbraw/zinc/80/37/15/1200803715.db2.gz JORIUTOBKNRRRJ-VCBZYWHSSA-N 2 2 361.490 0.706 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829966 1224642029 /nfs/dbraw/zinc/64/20/29/1224642029.db2.gz JZTHOIIYBNORFF-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829966 1224642033 /nfs/dbraw/zinc/64/20/33/1224642033.db2.gz JZTHOIIYBNORFF-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829966 1224642036 /nfs/dbraw/zinc/64/20/36/1224642036.db2.gz JZTHOIIYBNORFF-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829966 1224642039 /nfs/dbraw/zinc/64/20/39/1224642039.db2.gz JZTHOIIYBNORFF-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000788801729 1200976140 /nfs/dbraw/zinc/97/61/40/1200976140.db2.gz BSCRUAUSVZUXQH-CQSZACIVSA-N 2 2 360.458 0.924 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000788801729 1200976149 /nfs/dbraw/zinc/97/61/49/1200976149.db2.gz BSCRUAUSVZUXQH-CQSZACIVSA-N 2 2 360.458 0.924 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCCCC1 ZINC000788856975 1200981260 /nfs/dbraw/zinc/98/12/60/1200981260.db2.gz SKGBWVWYDKOBCO-HNNXBMFYSA-N 2 2 361.490 0.869 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597472 1201139499 /nfs/dbraw/zinc/13/94/99/1201139499.db2.gz HIAGMFFCZSPGIY-ZWKOTPCHSA-N 2 2 370.497 0.945 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597472 1201139504 /nfs/dbraw/zinc/13/95/04/1201139504.db2.gz HIAGMFFCZSPGIY-ZWKOTPCHSA-N 2 2 370.497 0.945 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793711848 1201254629 /nfs/dbraw/zinc/25/46/29/1201254629.db2.gz YMPNCAFWLDTYQK-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101132 1201256431 /nfs/dbraw/zinc/25/64/31/1201256431.db2.gz AIRAHYMRFSDTCZ-BDXSIMOUSA-N 2 2 374.529 0.964 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101132 1201256435 /nfs/dbraw/zinc/25/64/35/1201256435.db2.gz AIRAHYMRFSDTCZ-BDXSIMOUSA-N 2 2 374.529 0.964 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101132 1201256442 /nfs/dbraw/zinc/25/64/42/1201256442.db2.gz AIRAHYMRFSDTCZ-BDXSIMOUSA-N 2 2 374.529 0.964 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101132 1201256446 /nfs/dbraw/zinc/25/64/46/1201256446.db2.gz AIRAHYMRFSDTCZ-BDXSIMOUSA-N 2 2 374.529 0.964 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129407532 1201298828 /nfs/dbraw/zinc/29/88/28/1201298828.db2.gz PPXCAWZHCHDRMU-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129407532 1201298832 /nfs/dbraw/zinc/29/88/32/1201298832.db2.gz PPXCAWZHCHDRMU-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129407532 1201298841 /nfs/dbraw/zinc/29/88/41/1201298841.db2.gz PPXCAWZHCHDRMU-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129407532 1201298845 /nfs/dbraw/zinc/29/88/45/1201298845.db2.gz PPXCAWZHCHDRMU-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129403578 1201307451 /nfs/dbraw/zinc/30/74/51/1201307451.db2.gz DIVWNJISKCNECZ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129403578 1201307456 /nfs/dbraw/zinc/30/74/56/1201307456.db2.gz DIVWNJISKCNECZ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129403578 1201307460 /nfs/dbraw/zinc/30/74/60/1201307460.db2.gz DIVWNJISKCNECZ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129403578 1201307466 /nfs/dbraw/zinc/30/74/66/1201307466.db2.gz DIVWNJISKCNECZ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624157 1201359162 /nfs/dbraw/zinc/35/91/62/1201359162.db2.gz QENYXPOWKKVYAC-KSZLIROESA-N 2 2 367.453 0.664 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624157 1201359167 /nfs/dbraw/zinc/35/91/67/1201359167.db2.gz QENYXPOWKKVYAC-KSZLIROESA-N 2 2 367.453 0.664 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1)OC ZINC001129803239 1201397478 /nfs/dbraw/zinc/39/74/78/1201397478.db2.gz BOBYHXBAKKDSJF-KFWWJZLASA-N 2 2 361.450 0.401 20 0 FCADLP O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCc2ccccc2C1 ZINC001129903078 1201420296 /nfs/dbraw/zinc/42/02/96/1201420296.db2.gz REVWWZZQWARLSD-IAGOWNOFSA-N 2 2 367.453 0.804 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930928 1201446948 /nfs/dbraw/zinc/44/69/48/1201446948.db2.gz ZGUMLLZXZAQVPV-ZBFHGGJFSA-N 2 2 369.429 0.618 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952401 1201448337 /nfs/dbraw/zinc/44/83/37/1201448337.db2.gz RUDWHOPKSMZGHW-CVEARBPZSA-N 2 2 361.450 0.331 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896918 1224674032 /nfs/dbraw/zinc/67/40/32/1224674032.db2.gz OVSSHLXIIVZQPH-OAGGEKHMSA-N 2 2 370.538 0.429 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896918 1224674036 /nfs/dbraw/zinc/67/40/36/1224674036.db2.gz OVSSHLXIIVZQPH-OAGGEKHMSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896918 1224674038 /nfs/dbraw/zinc/67/40/38/1224674038.db2.gz OVSSHLXIIVZQPH-OAGGEKHMSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896918 1224674043 /nfs/dbraw/zinc/67/40/43/1224674043.db2.gz OVSSHLXIIVZQPH-OAGGEKHMSA-N 2 2 370.538 0.429 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130038038 1201482705 /nfs/dbraw/zinc/48/27/05/1201482705.db2.gz IWMGSAAYGXXMMB-CVEARBPZSA-N 2 2 368.457 0.092 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001130097063 1201499121 /nfs/dbraw/zinc/49/91/21/1201499121.db2.gz ZZRGIVDHZMJYKS-CVEARBPZSA-N 2 2 361.450 0.540 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001130097063 1201499124 /nfs/dbraw/zinc/49/91/24/1201499124.db2.gz ZZRGIVDHZMJYKS-CVEARBPZSA-N 2 2 361.450 0.540 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130107721 1201502884 /nfs/dbraw/zinc/50/28/84/1201502884.db2.gz XSCQHVSHOATRLU-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130107721 1201502885 /nfs/dbraw/zinc/50/28/85/1201502885.db2.gz XSCQHVSHOATRLU-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107664 1201503005 /nfs/dbraw/zinc/50/30/05/1201503005.db2.gz URLDWNBABJMUIA-CVEARBPZSA-N 2 2 361.450 0.319 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130193359 1201531922 /nfs/dbraw/zinc/53/19/22/1201531922.db2.gz UMJGEEIVAMSZRI-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130193359 1201531925 /nfs/dbraw/zinc/53/19/25/1201531925.db2.gz UMJGEEIVAMSZRI-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130193359 1201531930 /nfs/dbraw/zinc/53/19/30/1201531930.db2.gz UMJGEEIVAMSZRI-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130193359 1201531932 /nfs/dbraw/zinc/53/19/32/1201531932.db2.gz UMJGEEIVAMSZRI-MJBXVCDLSA-N 2 2 368.457 0.337 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130220805 1201551115 /nfs/dbraw/zinc/55/11/15/1201551115.db2.gz LTKPLZZNHKUJRZ-OFQRWUPVSA-N 2 2 364.494 0.632 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001219931103 1224687899 /nfs/dbraw/zinc/68/78/99/1224687899.db2.gz LTRIQOVFFSFAGV-ZBFHGGJFSA-N 2 2 360.458 0.706 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130638054 1202740961 /nfs/dbraw/zinc/74/09/61/1202740961.db2.gz ZMUIPAKRLAHFDI-HLLBOEOZSA-N 2 2 360.462 0.626 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)o1 ZINC001130670091 1202751879 /nfs/dbraw/zinc/75/18/79/1202751879.db2.gz QOOAAXURJAFNTO-GOEBONIOSA-N 2 2 360.462 0.752 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)o1 ZINC001130670075 1202751884 /nfs/dbraw/zinc/75/18/84/1202751884.db2.gz PUQZRWDWFKDXJW-DZGCQCFKSA-N 2 2 361.450 0.147 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001130719350 1202765733 /nfs/dbraw/zinc/76/57/33/1202765733.db2.gz KWUDWQKCROQNCI-DOTOQJQBSA-N 2 2 371.489 0.636 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001130719350 1202765737 /nfs/dbraw/zinc/76/57/37/1202765737.db2.gz KWUDWQKCROQNCI-DOTOQJQBSA-N 2 2 371.489 0.636 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O)C1CCCCC1 ZINC001220073423 1224744920 /nfs/dbraw/zinc/74/49/20/1224744920.db2.gz AKLBJXIXOWAJJF-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O)C1CCCCC1 ZINC001220073423 1224744925 /nfs/dbraw/zinc/74/49/25/1224744925.db2.gz AKLBJXIXOWAJJF-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CCCCC1 ZINC001220073423 1224744929 /nfs/dbraw/zinc/74/49/29/1224744929.db2.gz AKLBJXIXOWAJJF-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O)C1CCCCC1 ZINC001220073423 1224744934 /nfs/dbraw/zinc/74/49/34/1224744934.db2.gz AKLBJXIXOWAJJF-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3C)n2)O1 ZINC001130817525 1202808742 /nfs/dbraw/zinc/80/87/42/1202808742.db2.gz RDLTXLDURHTLFX-UONOGXRCSA-N 2 2 361.450 0.846 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001131089361 1202860598 /nfs/dbraw/zinc/86/05/98/1202860598.db2.gz CUEATYULZHCRJS-HZPDHXFCSA-N 2 2 371.489 0.636 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001131091237 1202861259 /nfs/dbraw/zinc/86/12/59/1202861259.db2.gz BEYPVCYHTAWIQX-HUUCEWRRSA-N 2 2 361.450 0.229 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO ZINC001131106474 1202864139 /nfs/dbraw/zinc/86/41/39/1202864139.db2.gz WQWPXGAKNQYLKS-ZIAGYGMSSA-N 2 2 360.462 0.387 20 0 FCADLP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001131318449 1202886148 /nfs/dbraw/zinc/88/61/48/1202886148.db2.gz ASEVJJMOITZGFN-OAGGEKHMSA-N 2 2 361.446 0.789 20 0 FCADLP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001131318449 1202886150 /nfs/dbraw/zinc/88/61/50/1202886150.db2.gz ASEVJJMOITZGFN-OAGGEKHMSA-N 2 2 361.446 0.789 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086665205 1202887582 /nfs/dbraw/zinc/88/75/82/1202887582.db2.gz WNAHANIDAPIBAB-ARFHVFGLSA-N 2 2 364.494 0.564 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086665205 1202887586 /nfs/dbraw/zinc/88/75/86/1202887586.db2.gz WNAHANIDAPIBAB-ARFHVFGLSA-N 2 2 364.494 0.564 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131592939 1202917048 /nfs/dbraw/zinc/91/70/48/1202917048.db2.gz DFVHHNWPYGWLQR-BJZITVGISA-N 2 2 364.490 0.983 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131621487 1202920259 /nfs/dbraw/zinc/92/02/59/1202920259.db2.gz XOJBZJSUWWHSNT-LXZKKBNFSA-N 2 2 363.462 0.003 20 0 FCADLP Cc1cccnc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610814 1202921336 /nfs/dbraw/zinc/92/13/36/1202921336.db2.gz JRYSBNPJZJAVIM-AEFFLSMTSA-N 2 2 362.474 0.476 20 0 FCADLP CCOC1CC(C[NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001131613648 1202921597 /nfs/dbraw/zinc/92/15/97/1202921597.db2.gz IWXXJXWBTFZOBV-FPQWYMTMSA-N 2 2 369.506 0.387 20 0 FCADLP CCO[C@H](C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001131613728 1202921773 /nfs/dbraw/zinc/92/17/73/1202921773.db2.gz LRSKFVBRUZKLSX-FGTMMUONSA-N 2 2 369.506 0.387 20 0 FCADLP Cc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(N(C)C)[nH+]1 ZINC000810410889 1202946205 /nfs/dbraw/zinc/94/62/05/1202946205.db2.gz FSGWDMCEUNINQJ-UHFFFAOYSA-N 2 2 359.434 0.791 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](O)C1 ZINC001220090503 1224755858 /nfs/dbraw/zinc/75/58/58/1224755858.db2.gz MUVMGSSZPIEIJU-QGTPRVQTSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](O)C1 ZINC001220090503 1224755863 /nfs/dbraw/zinc/75/58/63/1224755863.db2.gz MUVMGSSZPIEIJU-QGTPRVQTSA-N 2 2 358.442 0.808 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103344 1202994983 /nfs/dbraw/zinc/99/49/83/1202994983.db2.gz PWMHZACTLXJGBI-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103344 1202994986 /nfs/dbraw/zinc/99/49/86/1202994986.db2.gz PWMHZACTLXJGBI-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086716982 1203013119 /nfs/dbraw/zinc/01/31/19/1203013119.db2.gz AMRZZGQCCAGZPA-BFHYXJOUSA-N 2 2 358.450 0.359 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086735916 1203061828 /nfs/dbraw/zinc/06/18/28/1203061828.db2.gz TWZHRGTUCBGOOW-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001086736603 1203062177 /nfs/dbraw/zinc/06/21/77/1203062177.db2.gz WKDGQYSRXZCSDQ-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001086737528 1203063777 /nfs/dbraw/zinc/06/37/77/1203063777.db2.gz NOWUWLMDTBRBRD-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)c1ccccc1 ZINC001220106022 1224765761 /nfs/dbraw/zinc/76/57/61/1224765761.db2.gz XCRJQKAYCQIDEU-SQNIBIBYSA-N 2 2 358.442 0.822 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)c1ccccc1 ZINC001220106022 1224765767 /nfs/dbraw/zinc/76/57/67/1224765767.db2.gz XCRJQKAYCQIDEU-SQNIBIBYSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)nc(C2CC2)[nH+]1 ZINC001090525642 1203104776 /nfs/dbraw/zinc/10/47/76/1203104776.db2.gz UKRLYKUCHKUROM-HUUCEWRRSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817918256 1203126128 /nfs/dbraw/zinc/12/61/28/1203126128.db2.gz XOWYTJSIYWJQJO-NRFANRHFSA-N 2 2 370.497 0.994 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817981968 1203130231 /nfs/dbraw/zinc/13/02/31/1203130231.db2.gz AIVJIAARKWMGSA-SZMVWBNQSA-N 2 2 363.458 0.991 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1=O ZINC000820852147 1203193819 /nfs/dbraw/zinc/19/38/19/1203193819.db2.gz CXOAEEOQAYSLMM-AWEZNQCLSA-N 2 2 359.430 0.243 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1=O ZINC000820852147 1203193821 /nfs/dbraw/zinc/19/38/21/1203193821.db2.gz CXOAEEOQAYSLMM-AWEZNQCLSA-N 2 2 359.430 0.243 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001086844058 1203203206 /nfs/dbraw/zinc/20/32/06/1203203206.db2.gz NSYFQFMURJRZGH-SQWLQELKSA-N 2 2 368.441 0.644 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)n2C ZINC001136492012 1203215159 /nfs/dbraw/zinc/21/51/59/1203215159.db2.gz NSHCRIYHVJFGHH-STQMWFEESA-N 2 2 358.446 0.627 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1C[N@H+]3CCC[C@H]3CO1)n2C ZINC001136492012 1203215163 /nfs/dbraw/zinc/21/51/63/1203215163.db2.gz NSHCRIYHVJFGHH-STQMWFEESA-N 2 2 358.446 0.627 20 0 FCADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000822851451 1203238420 /nfs/dbraw/zinc/23/84/20/1203238420.db2.gz WNOYOASNBKLCJU-AWEZNQCLSA-N 2 2 352.402 0.996 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107887 1203290157 /nfs/dbraw/zinc/29/01/57/1203290157.db2.gz YRILXPBPMOOLAM-YVSFHVDLSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107887 1203290161 /nfs/dbraw/zinc/29/01/61/1203290161.db2.gz YRILXPBPMOOLAM-YVSFHVDLSA-N 2 2 366.506 0.201 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090885222 1203331919 /nfs/dbraw/zinc/33/19/19/1203331919.db2.gz WUBIJBCUZFVWIH-LSDHHAIUSA-N 2 2 357.414 0.030 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]C[C@H](C)O)cc1 ZINC001090888641 1203333407 /nfs/dbraw/zinc/33/34/07/1203333407.db2.gz RNHBDBWFQNAHDD-JCGIZDLHSA-N 2 2 358.442 0.857 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1F ZINC001220228880 1224810411 /nfs/dbraw/zinc/81/04/11/1224810411.db2.gz BMKPMAPXYXVFPA-CVEARBPZSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1F ZINC001220228880 1224810413 /nfs/dbraw/zinc/81/04/13/1224810413.db2.gz BMKPMAPXYXVFPA-CVEARBPZSA-N 2 2 365.449 0.837 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)ccn1 ZINC001220229322 1224811049 /nfs/dbraw/zinc/81/10/49/1224811049.db2.gz XUZMDDIASBQNOY-CVEARBPZSA-N 2 2 361.490 0.151 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)ccn1 ZINC001220229322 1224811050 /nfs/dbraw/zinc/81/10/50/1224811050.db2.gz XUZMDDIASBQNOY-CVEARBPZSA-N 2 2 361.490 0.151 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220297375 1224823516 /nfs/dbraw/zinc/82/35/16/1224823516.db2.gz YEWATEDDTNUNTD-SOLBZPMBSA-N 2 2 364.490 0.728 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220297375 1224823521 /nfs/dbraw/zinc/82/35/21/1224823521.db2.gz YEWATEDDTNUNTD-SOLBZPMBSA-N 2 2 364.490 0.728 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)nc1 ZINC001144423465 1204495516 /nfs/dbraw/zinc/49/55/16/1204495516.db2.gz KVRZSWCILIPFCK-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)nc1 ZINC001144423465 1204495520 /nfs/dbraw/zinc/49/55/20/1204495520.db2.gz KVRZSWCILIPFCK-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)nc1 ZINC001144423465 1204495526 /nfs/dbraw/zinc/49/55/26/1204495526.db2.gz KVRZSWCILIPFCK-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)nc1 ZINC001144423465 1204495530 /nfs/dbraw/zinc/49/55/30/1204495530.db2.gz KVRZSWCILIPFCK-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1O)[NH+](C)C ZINC001091127828 1204531709 /nfs/dbraw/zinc/53/17/09/1204531709.db2.gz RCEGTLMZBSYTMN-ZACQAIPSSA-N 2 2 361.490 0.670 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358666 1224842321 /nfs/dbraw/zinc/84/23/21/1224842321.db2.gz WBRSVJMGMSSQKY-QAETUUGQSA-N 3 2 360.458 0.251 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359756 1224843713 /nfs/dbraw/zinc/84/37/13/1224843713.db2.gz XJHQNBKSHHWLBG-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359756 1224843715 /nfs/dbraw/zinc/84/37/15/1224843715.db2.gz XJHQNBKSHHWLBG-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359756 1224843719 /nfs/dbraw/zinc/84/37/19/1224843719.db2.gz XJHQNBKSHHWLBG-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359756 1224843722 /nfs/dbraw/zinc/84/37/22/1224843722.db2.gz XJHQNBKSHHWLBG-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369255 1224845418 /nfs/dbraw/zinc/84/54/18/1224845418.db2.gz DDJJYCNXIVYMOU-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369255 1224845425 /nfs/dbraw/zinc/84/54/25/1224845425.db2.gz DDJJYCNXIVYMOU-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369255 1224845428 /nfs/dbraw/zinc/84/54/28/1224845428.db2.gz DDJJYCNXIVYMOU-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1)C1CC1 ZINC001220369255 1224845432 /nfs/dbraw/zinc/84/54/32/1224845432.db2.gz DDJJYCNXIVYMOU-CVEARBPZSA-N 2 2 368.522 0.137 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1C ZINC001091543474 1204708805 /nfs/dbraw/zinc/70/88/05/1204708805.db2.gz KDTIZCSDDAGTGJ-VCBZYWHSSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1C ZINC001091543474 1204708808 /nfs/dbraw/zinc/70/88/08/1204708808.db2.gz KDTIZCSDDAGTGJ-VCBZYWHSSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1C ZINC001091543474 1204708811 /nfs/dbraw/zinc/70/88/11/1204708811.db2.gz KDTIZCSDDAGTGJ-VCBZYWHSSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1C ZINC001091543474 1204708813 /nfs/dbraw/zinc/70/88/13/1204708813.db2.gz KDTIZCSDDAGTGJ-VCBZYWHSSA-N 2 2 360.506 0.752 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091635251 1204791236 /nfs/dbraw/zinc/79/12/36/1204791236.db2.gz JZYCZQMYKZOTJQ-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091635251 1204791241 /nfs/dbraw/zinc/79/12/41/1204791241.db2.gz JZYCZQMYKZOTJQ-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC001091655834 1204808877 /nfs/dbraw/zinc/80/88/77/1204808877.db2.gz KGDKJXXOGKJIEJ-JKSUJKDBSA-N 2 2 357.462 0.877 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664326 1204810884 /nfs/dbraw/zinc/81/08/84/1204810884.db2.gz HNLVKAWXBOQMGD-RKVPGOIHSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664326 1204810886 /nfs/dbraw/zinc/81/08/86/1204810886.db2.gz HNLVKAWXBOQMGD-RKVPGOIHSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091664326 1204810890 /nfs/dbraw/zinc/81/08/90/1204810890.db2.gz HNLVKAWXBOQMGD-RKVPGOIHSA-N 2 2 361.494 0.363 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091725963 1204834080 /nfs/dbraw/zinc/83/40/80/1204834080.db2.gz UMIBRCLKPVIIMC-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091725963 1204834081 /nfs/dbraw/zinc/83/40/81/1204834081.db2.gz UMIBRCLKPVIIMC-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091725963 1204834082 /nfs/dbraw/zinc/83/40/82/1204834082.db2.gz UMIBRCLKPVIIMC-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091725963 1204834087 /nfs/dbraw/zinc/83/40/87/1204834087.db2.gz UMIBRCLKPVIIMC-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742703 1204838710 /nfs/dbraw/zinc/83/87/10/1204838710.db2.gz FXONDPVASZTXAE-LBTNJELSSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742703 1204838713 /nfs/dbraw/zinc/83/87/13/1204838713.db2.gz FXONDPVASZTXAE-LBTNJELSSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742703 1204838718 /nfs/dbraw/zinc/83/87/18/1204838718.db2.gz FXONDPVASZTXAE-LBTNJELSSA-N 2 2 361.494 0.536 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C(=O)N2CC=CC2)c1 ZINC001273453738 1204852561 /nfs/dbraw/zinc/85/25/61/1204852561.db2.gz CACLTNGXNUQYFR-BZUAXINKSA-N 2 2 357.458 0.312 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C(=O)N2CC=CC2)c1 ZINC001273453738 1204852562 /nfs/dbraw/zinc/85/25/62/1204852562.db2.gz CACLTNGXNUQYFR-BZUAXINKSA-N 2 2 357.458 0.312 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccccc3C[NH+](C)C)C2)n1 ZINC001086883191 1204857460 /nfs/dbraw/zinc/85/74/60/1204857460.db2.gz VIXQYBBKEJGPMD-GOEBONIOSA-N 2 2 371.489 0.960 20 0 FCADLP CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360156 1204881037 /nfs/dbraw/zinc/88/10/37/1204881037.db2.gz XDPZTXKCIQHLDQ-JHJVBQTASA-N 2 2 364.450 0.233 20 0 FCADLP CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360156 1204881038 /nfs/dbraw/zinc/88/10/38/1204881038.db2.gz XDPZTXKCIQHLDQ-JHJVBQTASA-N 2 2 364.450 0.233 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001086999617 1204888642 /nfs/dbraw/zinc/88/86/42/1204888642.db2.gz NTZCISSNCIGKKM-DLBZAZTESA-N 2 2 368.445 0.204 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001087007883 1204895997 /nfs/dbraw/zinc/89/59/97/1204895997.db2.gz AMXSDRDYUIKHGH-RRQGHBQHSA-N 2 2 360.462 0.051 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087049420 1204925597 /nfs/dbraw/zinc/92/55/97/1204925597.db2.gz HBMJJLFAHWNYPI-ZIAGYGMSSA-N 2 2 361.450 0.422 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087070735 1204957758 /nfs/dbraw/zinc/95/77/58/1204957758.db2.gz GSSJWGWEAWDAGP-HZPDHXFCSA-N 2 2 358.446 0.717 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087070910 1204958558 /nfs/dbraw/zinc/95/85/58/1204958558.db2.gz PLZGSHUWLWWPKY-NVXWUHKLSA-N 2 2 360.462 0.660 20 0 FCADLP COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220406025 1224862585 /nfs/dbraw/zinc/86/25/85/1224862585.db2.gz IQQYXIQYGHVUTL-NHYWBVRUSA-N 2 2 357.414 0.541 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCN(CC)C1=O ZINC001087088179 1204977131 /nfs/dbraw/zinc/97/71/31/1204977131.db2.gz MKKWOCUFOALPDN-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](C)c1nc(C)no1 ZINC001087088067 1204977240 /nfs/dbraw/zinc/97/72/40/1204977240.db2.gz IPJCWORNJHFBFD-UXIGCNINSA-N 2 2 362.434 0.858 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC001087093987 1204985660 /nfs/dbraw/zinc/98/56/60/1204985660.db2.gz MHRQCQTYCJEFJE-UKRRQHHQSA-N 2 2 361.450 0.217 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@H](C)c1cnccn1 ZINC001087093791 1204985916 /nfs/dbraw/zinc/98/59/16/1204985916.db2.gz CAERZTBBSJCJRM-IIAWOOMASA-N 2 2 358.446 0.957 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001087103394 1205000908 /nfs/dbraw/zinc/00/09/08/1205000908.db2.gz CLUZIQSKQYLGQM-ZIAGYGMSSA-N 2 2 362.434 0.482 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087104118 1205001971 /nfs/dbraw/zinc/00/19/71/1205001971.db2.gz PWKDFCUHMFFWPL-NVXWUHKLSA-N 2 2 358.446 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)c1nc(C)no1 ZINC001087103840 1205002109 /nfs/dbraw/zinc/00/21/09/1205002109.db2.gz DGRQSGXPZWEJBS-BPLDGKMQSA-N 2 2 362.434 0.789 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091794997 1205015573 /nfs/dbraw/zinc/01/55/73/1205015573.db2.gz GVADVNISRIGFKB-FCEWJHQRSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091794997 1205015579 /nfs/dbraw/zinc/01/55/79/1205015579.db2.gz GVADVNISRIGFKB-FCEWJHQRSA-N 2 2 369.473 0.518 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798342 1205017028 /nfs/dbraw/zinc/01/70/28/1205017028.db2.gz VBKIGBUVTLWNSF-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798342 1205017032 /nfs/dbraw/zinc/01/70/32/1205017032.db2.gz VBKIGBUVTLWNSF-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001091855062 1205051263 /nfs/dbraw/zinc/05/12/63/1205051263.db2.gz PTTNWZBTADDYQI-CABCVRRESA-N 2 2 371.489 0.988 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001091855062 1205051268 /nfs/dbraw/zinc/05/12/68/1205051268.db2.gz PTTNWZBTADDYQI-CABCVRRESA-N 2 2 371.489 0.988 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001091857644 1205052615 /nfs/dbraw/zinc/05/26/15/1205052615.db2.gz PTAVHOVZJNJHPZ-RKVPGOIHSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001091857644 1205052619 /nfs/dbraw/zinc/05/26/19/1205052619.db2.gz PTAVHOVZJNJHPZ-RKVPGOIHSA-N 2 2 357.462 0.862 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091909858 1205068976 /nfs/dbraw/zinc/06/89/76/1205068976.db2.gz AINNAVNGOGAOOK-BEFAXECRSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091909858 1205068981 /nfs/dbraw/zinc/06/89/81/1205068981.db2.gz AINNAVNGOGAOOK-BEFAXECRSA-N 2 2 360.506 0.970 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898877 1205076712 /nfs/dbraw/zinc/07/67/12/1205076712.db2.gz WQHCQTJBIIKLAK-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898877 1205076720 /nfs/dbraw/zinc/07/67/20/1205076720.db2.gz WQHCQTJBIIKLAK-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897249 1205076983 /nfs/dbraw/zinc/07/69/83/1205076983.db2.gz DZDZAEJQWHYCLJ-CLCXKQKWSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897249 1205076987 /nfs/dbraw/zinc/07/69/87/1205076987.db2.gz DZDZAEJQWHYCLJ-CLCXKQKWSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nncn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091954002 1205090285 /nfs/dbraw/zinc/09/02/85/1205090285.db2.gz XAUDHVQVACETEW-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nncn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091954002 1205090290 /nfs/dbraw/zinc/09/02/90/1205090290.db2.gz XAUDHVQVACETEW-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nncn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091954002 1205090295 /nfs/dbraw/zinc/09/02/95/1205090295.db2.gz XAUDHVQVACETEW-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nncn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091954002 1205090300 /nfs/dbraw/zinc/09/03/00/1205090300.db2.gz XAUDHVQVACETEW-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091958026 1205091960 /nfs/dbraw/zinc/09/19/60/1205091960.db2.gz XYDSMWFMOIHGTG-CLCXKQKWSA-N 2 2 359.474 0.280 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@]2(C)C1 ZINC001091958026 1205091964 /nfs/dbraw/zinc/09/19/64/1205091964.db2.gz XYDSMWFMOIHGTG-CLCXKQKWSA-N 2 2 359.474 0.280 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001092004135 1205100685 /nfs/dbraw/zinc/10/06/85/1205100685.db2.gz WMXRLTJOSDSMNL-VCBZYWHSSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001092004135 1205100690 /nfs/dbraw/zinc/10/06/90/1205100690.db2.gz WMXRLTJOSDSMNL-VCBZYWHSSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCCN1CCCC1=O)C2 ZINC001092049742 1205124508 /nfs/dbraw/zinc/12/45/08/1205124508.db2.gz JXAQZVPFOWHIGE-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCCN1CCCC1=O)C2 ZINC001092049742 1205124510 /nfs/dbraw/zinc/12/45/10/1205124510.db2.gz JXAQZVPFOWHIGE-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092057308 1205127820 /nfs/dbraw/zinc/12/78/20/1205127820.db2.gz PLRSKIJZUQAXGZ-MDZRGWNJSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092057308 1205127825 /nfs/dbraw/zinc/12/78/25/1205127825.db2.gz PLRSKIJZUQAXGZ-MDZRGWNJSA-N 2 2 359.474 0.847 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092200858 1205194723 /nfs/dbraw/zinc/19/47/23/1205194723.db2.gz QUKOAMCRBTZYBZ-KDOFPFPSSA-N 2 2 357.462 0.759 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092200858 1205194725 /nfs/dbraw/zinc/19/47/25/1205194725.db2.gz QUKOAMCRBTZYBZ-KDOFPFPSSA-N 2 2 357.462 0.759 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232381 1205204425 /nfs/dbraw/zinc/20/44/25/1205204425.db2.gz JYOQAELMSGRKMY-OGWOLHLISA-N 2 2 359.474 0.662 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092232381 1205204431 /nfs/dbraw/zinc/20/44/31/1205204431.db2.gz JYOQAELMSGRKMY-OGWOLHLISA-N 2 2 359.474 0.662 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001092314513 1205243823 /nfs/dbraw/zinc/24/38/23/1205243823.db2.gz LVNLDGIHWULHKQ-HUUCEWRRSA-N 2 2 357.462 0.958 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001092314513 1205243830 /nfs/dbraw/zinc/24/38/30/1205243830.db2.gz LVNLDGIHWULHKQ-HUUCEWRRSA-N 2 2 357.462 0.958 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092318472 1205245957 /nfs/dbraw/zinc/24/59/57/1205245957.db2.gz AKPVSXWXMTURHW-MDYRTPRTSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092318472 1205245960 /nfs/dbraw/zinc/24/59/60/1205245960.db2.gz AKPVSXWXMTURHW-MDYRTPRTSA-N 2 2 371.485 0.817 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523981 1205303074 /nfs/dbraw/zinc/30/30/74/1205303074.db2.gz QEBQMMLZXNCWMW-FRFSOERESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523981 1205303076 /nfs/dbraw/zinc/30/30/76/1205303076.db2.gz QEBQMMLZXNCWMW-FRFSOERESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523981 1205303078 /nfs/dbraw/zinc/30/30/78/1205303078.db2.gz QEBQMMLZXNCWMW-FRFSOERESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523981 1205303082 /nfs/dbraw/zinc/30/30/82/1205303082.db2.gz QEBQMMLZXNCWMW-FRFSOERESA-N 2 2 364.494 0.121 20 0 FCADLP CC(C)n1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523644 1205303460 /nfs/dbraw/zinc/30/34/60/1205303460.db2.gz LHCROXASJBWYAC-JFIYKMOQSA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523644 1205303463 /nfs/dbraw/zinc/30/34/63/1205303463.db2.gz LHCROXASJBWYAC-JFIYKMOQSA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523644 1205303466 /nfs/dbraw/zinc/30/34/66/1205303466.db2.gz LHCROXASJBWYAC-JFIYKMOQSA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523644 1205303468 /nfs/dbraw/zinc/30/34/68/1205303468.db2.gz LHCROXASJBWYAC-JFIYKMOQSA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675019 1205335811 /nfs/dbraw/zinc/33/58/11/1205335811.db2.gz AKEPUSBCEXTRRB-OWCLPIDISA-N 2 2 363.510 0.372 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675019 1205335814 /nfs/dbraw/zinc/33/58/14/1205335814.db2.gz AKEPUSBCEXTRRB-OWCLPIDISA-N 2 2 363.510 0.372 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675019 1205335816 /nfs/dbraw/zinc/33/58/16/1205335816.db2.gz AKEPUSBCEXTRRB-OWCLPIDISA-N 2 2 363.510 0.372 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675019 1205335820 /nfs/dbraw/zinc/33/58/20/1205335820.db2.gz AKEPUSBCEXTRRB-OWCLPIDISA-N 2 2 363.510 0.372 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675018 1205336255 /nfs/dbraw/zinc/33/62/55/1205336255.db2.gz AKEPUSBCEXTRRB-BZUAXINKSA-N 2 2 363.510 0.372 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675018 1205336258 /nfs/dbraw/zinc/33/62/58/1205336258.db2.gz AKEPUSBCEXTRRB-BZUAXINKSA-N 2 2 363.510 0.372 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675018 1205336260 /nfs/dbraw/zinc/33/62/60/1205336260.db2.gz AKEPUSBCEXTRRB-BZUAXINKSA-N 2 2 363.510 0.372 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092675018 1205336263 /nfs/dbraw/zinc/33/62/63/1205336263.db2.gz AKEPUSBCEXTRRB-BZUAXINKSA-N 2 2 363.510 0.372 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676137 1205336765 /nfs/dbraw/zinc/33/67/65/1205336765.db2.gz ROTNWWQVDNLHSY-FMKPAKJESA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676137 1205336770 /nfs/dbraw/zinc/33/67/70/1205336770.db2.gz ROTNWWQVDNLHSY-FMKPAKJESA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC001220515484 1224899130 /nfs/dbraw/zinc/89/91/30/1224899130.db2.gz DGEFQKMVODKUMQ-VXTDNTOSSA-N 2 2 360.458 0.698 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001220542053 1224915592 /nfs/dbraw/zinc/91/55/92/1224915592.db2.gz JRGQHKQYSXOHSP-LMNGEROHSA-N 2 2 369.473 0.724 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnnn3C)C[C@H]1C)CC2 ZINC001092919118 1205944406 /nfs/dbraw/zinc/94/44/06/1205944406.db2.gz AAVKQRQTGZPLRB-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnnn3C)C[C@H]1C)CC2 ZINC001092919118 1205944412 /nfs/dbraw/zinc/94/44/12/1205944412.db2.gz AAVKQRQTGZPLRB-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918691 1205944512 /nfs/dbraw/zinc/94/45/12/1205944512.db2.gz LWOQWXLTMPLOLW-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918691 1205944513 /nfs/dbraw/zinc/94/45/13/1205944513.db2.gz LWOQWXLTMPLOLW-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092936350 1205963009 /nfs/dbraw/zinc/96/30/09/1205963009.db2.gz CICZZUWGYQDTGF-GDBMZVCRSA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092936350 1205963012 /nfs/dbraw/zinc/96/30/12/1205963012.db2.gz CICZZUWGYQDTGF-GDBMZVCRSA-N 2 2 363.510 0.609 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978470 1205965010 /nfs/dbraw/zinc/96/50/10/1205965010.db2.gz MRTNVTYVOQIWIO-MUIFIZLQSA-N 2 2 373.501 0.829 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978470 1205965014 /nfs/dbraw/zinc/96/50/14/1205965014.db2.gz MRTNVTYVOQIWIO-MUIFIZLQSA-N 2 2 373.501 0.829 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnn(C)n3)C[C@H]1C)C2 ZINC001092966292 1205967835 /nfs/dbraw/zinc/96/78/35/1205967835.db2.gz YPMMTMSQLBMRAI-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnn(C)n3)C[C@H]1C)C2 ZINC001092966292 1205967838 /nfs/dbraw/zinc/96/78/38/1205967838.db2.gz YPMMTMSQLBMRAI-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547926 1224920754 /nfs/dbraw/zinc/92/07/54/1224920754.db2.gz NTTNNUIIZMITKR-MSOLQXFVSA-N 2 2 371.522 0.467 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220547926 1224920759 /nfs/dbraw/zinc/92/07/59/1224920759.db2.gz NTTNNUIIZMITKR-MSOLQXFVSA-N 2 2 371.522 0.467 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102859 1206017846 /nfs/dbraw/zinc/01/78/46/1206017846.db2.gz PJNVAQFJBXPCIL-RBSFLKMASA-N 2 2 370.457 0.700 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102859 1206017851 /nfs/dbraw/zinc/01/78/51/1206017851.db2.gz PJNVAQFJBXPCIL-RBSFLKMASA-N 2 2 370.457 0.700 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208756 1206057272 /nfs/dbraw/zinc/05/72/72/1206057272.db2.gz FGCIHMURFLALFP-NUJGCVRESA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208756 1206057275 /nfs/dbraw/zinc/05/72/75/1206057275.db2.gz FGCIHMURFLALFP-NUJGCVRESA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208756 1206057279 /nfs/dbraw/zinc/05/72/79/1206057279.db2.gz FGCIHMURFLALFP-NUJGCVRESA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208756 1206057282 /nfs/dbraw/zinc/05/72/82/1206057282.db2.gz FGCIHMURFLALFP-NUJGCVRESA-N 2 2 363.506 0.808 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+][C@H]1CCCN(C)C1=O ZINC001093280481 1206071377 /nfs/dbraw/zinc/07/13/77/1206071377.db2.gz JCYQRJJEMXNNCJ-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093784558 1206115497 /nfs/dbraw/zinc/11/54/97/1206115497.db2.gz IGUIRMXJUCHAIU-IIAWOOMASA-N 2 2 359.474 0.335 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001093813695 1206133617 /nfs/dbraw/zinc/13/36/17/1206133617.db2.gz VMAFJMTZJPHSHS-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001093813695 1206133623 /nfs/dbraw/zinc/13/36/23/1206133623.db2.gz VMAFJMTZJPHSHS-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093871444 1206138184 /nfs/dbraw/zinc/13/81/84/1206138184.db2.gz LOHZNDNSQJNAOA-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)[nH]1 ZINC001093873167 1206139185 /nfs/dbraw/zinc/13/91/85/1206139185.db2.gz IICLEUCEVSHBLH-VHDGCEQUSA-N 2 2 357.462 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093913848 1206148076 /nfs/dbraw/zinc/14/80/76/1206148076.db2.gz HPHSJQPGEHCVEQ-CHWSQXEVSA-N 2 2 354.418 0.356 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094074474 1206179580 /nfs/dbraw/zinc/17/95/80/1206179580.db2.gz BXUWSKOOIJTKKX-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094132539 1206190389 /nfs/dbraw/zinc/19/03/89/1206190389.db2.gz JOVIPFSDYUHTLS-ZIAGYGMSSA-N 2 2 357.462 0.764 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001094166202 1206197860 /nfs/dbraw/zinc/19/78/60/1206197860.db2.gz RLBZGKZTZVYXFD-CHWSQXEVSA-N 2 2 362.434 0.376 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001094196800 1206206206 /nfs/dbraw/zinc/20/62/06/1206206206.db2.gz QVEVAWGJTUPATH-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001094196830 1206206253 /nfs/dbraw/zinc/20/62/53/1206206253.db2.gz SITSYPKAEFOWQO-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094242659 1206210263 /nfs/dbraw/zinc/21/02/63/1206210263.db2.gz LYPIECOHLMCXMD-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094254693 1206212512 /nfs/dbraw/zinc/21/25/12/1206212512.db2.gz BWDZRHDYQAGOFE-MGPQQGTHSA-N 2 2 358.450 0.650 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568446 1224937576 /nfs/dbraw/zinc/93/75/76/1224937576.db2.gz NSRWMNFWQYRGHD-IKGGRYGDSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568446 1224937578 /nfs/dbraw/zinc/93/75/78/1224937578.db2.gz NSRWMNFWQYRGHD-IKGGRYGDSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568446 1224937580 /nfs/dbraw/zinc/93/75/80/1224937580.db2.gz NSRWMNFWQYRGHD-IKGGRYGDSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568446 1224937582 /nfs/dbraw/zinc/93/75/82/1224937582.db2.gz NSRWMNFWQYRGHD-IKGGRYGDSA-N 2 2 370.538 0.704 20 0 FCADLP CCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783859 1206247125 /nfs/dbraw/zinc/24/71/25/1206247125.db2.gz YJDWISUNCUFXRQ-NUEKZKHPSA-N 2 2 359.474 0.725 20 0 FCADLP O=C1CC[C@H]2C[C@@H]([N@@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176114 1206259982 /nfs/dbraw/zinc/25/99/82/1206259982.db2.gz WFKCLRVYBBZEBL-GJZGRUSLSA-N 2 2 355.446 0.882 20 0 FCADLP O=C1CC[C@H]2C[C@@H]([N@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176114 1206259984 /nfs/dbraw/zinc/25/99/84/1206259984.db2.gz WFKCLRVYBBZEBL-GJZGRUSLSA-N 2 2 355.446 0.882 20 0 FCADLP CC[N@@H+]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C1 ZINC001173360664 1206269304 /nfs/dbraw/zinc/26/93/04/1206269304.db2.gz DLVSRZMXGVJQSW-MRXNPFEDSA-N 2 2 371.489 0.499 20 0 FCADLP CC[N@H+]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C1 ZINC001173360664 1206269307 /nfs/dbraw/zinc/26/93/07/1206269307.db2.gz DLVSRZMXGVJQSW-MRXNPFEDSA-N 2 2 371.489 0.499 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755228 1206287964 /nfs/dbraw/zinc/28/79/64/1206287964.db2.gz UOJNVUMFVBFOFZ-HOTGVXAUSA-N 2 2 361.494 0.833 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755228 1206287969 /nfs/dbraw/zinc/28/79/69/1206287969.db2.gz UOJNVUMFVBFOFZ-HOTGVXAUSA-N 2 2 361.494 0.833 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001095266878 1206290792 /nfs/dbraw/zinc/29/07/92/1206290792.db2.gz KWIMFFITDGGDOL-YDZRNGNQSA-N 2 2 359.470 0.731 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001095266878 1206290795 /nfs/dbraw/zinc/29/07/95/1206290795.db2.gz KWIMFFITDGGDOL-YDZRNGNQSA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CO)cc2)C1 ZINC001095266878 1206290801 /nfs/dbraw/zinc/29/08/01/1206290801.db2.gz KWIMFFITDGGDOL-YDZRNGNQSA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(CO)cc2)C1 ZINC001095266878 1206290805 /nfs/dbraw/zinc/29/08/05/1206290805.db2.gz KWIMFFITDGGDOL-YDZRNGNQSA-N 2 2 359.470 0.731 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001095267810 1206291238 /nfs/dbraw/zinc/29/12/38/1206291238.db2.gz JMRVOSFKGCJZLN-XFKAJCMBSA-N 2 2 371.441 0.775 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001095267810 1206291241 /nfs/dbraw/zinc/29/12/41/1206291241.db2.gz JMRVOSFKGCJZLN-XFKAJCMBSA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc3nonc3c2)C1 ZINC001095267810 1206291243 /nfs/dbraw/zinc/29/12/43/1206291243.db2.gz JMRVOSFKGCJZLN-XFKAJCMBSA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc3nonc3c2)C1 ZINC001095267810 1206291247 /nfs/dbraw/zinc/29/12/47/1206291247.db2.gz JMRVOSFKGCJZLN-XFKAJCMBSA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175063431 1206298677 /nfs/dbraw/zinc/29/86/77/1206298677.db2.gz GCHVNWVWHPWPDM-ZWKOTPCHSA-N 2 2 360.506 0.569 20 0 FCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175063431 1206298681 /nfs/dbraw/zinc/29/86/81/1206298681.db2.gz GCHVNWVWHPWPDM-ZWKOTPCHSA-N 2 2 360.506 0.569 20 0 FCADLP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176399969 1206314411 /nfs/dbraw/zinc/31/44/11/1206314411.db2.gz TXGGEPZEAYBJMC-QGZVFWFLSA-N 2 2 356.430 0.942 20 0 FCADLP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176399969 1206314414 /nfs/dbraw/zinc/31/44/14/1206314414.db2.gz TXGGEPZEAYBJMC-QGZVFWFLSA-N 2 2 356.430 0.942 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001178692891 1206362679 /nfs/dbraw/zinc/36/26/79/1206362679.db2.gz UWROWXFEVOJNIV-VQIMIIECSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001178692891 1206362683 /nfs/dbraw/zinc/36/26/83/1206362683.db2.gz UWROWXFEVOJNIV-VQIMIIECSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001178692891 1206362686 /nfs/dbraw/zinc/36/26/86/1206362686.db2.gz UWROWXFEVOJNIV-VQIMIIECSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001178692891 1206362689 /nfs/dbraw/zinc/36/26/89/1206362689.db2.gz UWROWXFEVOJNIV-VQIMIIECSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001178752123 1206364858 /nfs/dbraw/zinc/36/48/58/1206364858.db2.gz GKVDHXQSNTYNJY-YNEHKIRRSA-N 2 2 364.450 0.363 20 0 FCADLP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001178752123 1206364861 /nfs/dbraw/zinc/36/48/61/1206364861.db2.gz GKVDHXQSNTYNJY-YNEHKIRRSA-N 2 2 364.450 0.363 20 0 FCADLP C[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001178960673 1206368859 /nfs/dbraw/zinc/36/88/59/1206368859.db2.gz JSRRZZLJEMMBQJ-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001178960673 1206368862 /nfs/dbraw/zinc/36/88/62/1206368862.db2.gz JSRRZZLJEMMBQJ-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(c1ncccn1)C1C[NH2+]C1 ZINC001178991850 1206370452 /nfs/dbraw/zinc/37/04/52/1206370452.db2.gz QTPLSFHPSXUJCT-KRWDZBQOSA-N 2 2 353.426 0.682 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(c1ncccn1)C1C[NH2+]C1 ZINC001178991850 1206370456 /nfs/dbraw/zinc/37/04/56/1206370456.db2.gz QTPLSFHPSXUJCT-KRWDZBQOSA-N 2 2 353.426 0.682 20 0 FCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097306 1206374520 /nfs/dbraw/zinc/37/45/20/1206374520.db2.gz GGKFNFFBJBRDTA-KSZLIROESA-N 2 2 371.522 0.513 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761090 1206397799 /nfs/dbraw/zinc/39/77/99/1206397799.db2.gz WLUDFQYUWBJQSP-MANSERQUSA-N 2 2 374.485 0.460 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001180761090 1206397801 /nfs/dbraw/zinc/39/78/01/1206397801.db2.gz WLUDFQYUWBJQSP-MANSERQUSA-N 2 2 374.485 0.460 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001180761090 1206397804 /nfs/dbraw/zinc/39/78/04/1206397804.db2.gz WLUDFQYUWBJQSP-MANSERQUSA-N 2 2 374.485 0.460 20 0 FCADLP CO[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001180761090 1206397805 /nfs/dbraw/zinc/39/78/05/1206397805.db2.gz WLUDFQYUWBJQSP-MANSERQUSA-N 2 2 374.485 0.460 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001180760823 1206399459 /nfs/dbraw/zinc/39/94/59/1206399459.db2.gz YWJFMSKLMDDVGF-VNQPRFMTSA-N 2 2 372.473 0.962 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001180760823 1206399463 /nfs/dbraw/zinc/39/94/63/1206399463.db2.gz YWJFMSKLMDDVGF-VNQPRFMTSA-N 2 2 372.473 0.962 20 0 FCADLP Nc1cc(CC(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)cc[nH+]1 ZINC001181279956 1206407104 /nfs/dbraw/zinc/40/71/04/1206407104.db2.gz PSIDJHNYTVNLLD-UHFFFAOYSA-N 2 2 367.453 0.843 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001181980526 1206418136 /nfs/dbraw/zinc/41/81/36/1206418136.db2.gz ZYNQTVAZUDMSQT-OAHLLOKOSA-N 2 2 357.462 0.986 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001181980526 1206418137 /nfs/dbraw/zinc/41/81/37/1206418137.db2.gz ZYNQTVAZUDMSQT-OAHLLOKOSA-N 2 2 357.462 0.986 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183360783 1206452234 /nfs/dbraw/zinc/45/22/34/1206452234.db2.gz RINGIFZQLVWDFW-FRQCXROJSA-N 2 2 369.506 0.828 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+]3CCc4ccccc4[C@H]3C2)C1 ZINC001186108143 1206493466 /nfs/dbraw/zinc/49/34/66/1206493466.db2.gz WSZYHMHUGFHULC-FUHWJXTLSA-N 2 2 357.454 0.923 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]3CCc4ccccc4[C@H]3C2)C1 ZINC001186108143 1206493467 /nfs/dbraw/zinc/49/34/67/1206493467.db2.gz WSZYHMHUGFHULC-FUHWJXTLSA-N 2 2 357.454 0.923 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)C1 ZINC001186108143 1206493470 /nfs/dbraw/zinc/49/34/70/1206493470.db2.gz WSZYHMHUGFHULC-FUHWJXTLSA-N 2 2 357.454 0.923 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)C1 ZINC001186108143 1206493471 /nfs/dbraw/zinc/49/34/71/1206493471.db2.gz WSZYHMHUGFHULC-FUHWJXTLSA-N 2 2 357.454 0.923 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186502694 1206497945 /nfs/dbraw/zinc/49/79/45/1206497945.db2.gz AMUQRNQYDVSUPA-ARFHVFGLSA-N 2 2 362.474 0.361 20 0 FCADLP O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220622884 1224973020 /nfs/dbraw/zinc/97/30/20/1224973020.db2.gz UKMDHHREWLQFPF-DOPJRALCSA-N 2 2 366.469 0.665 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CC2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273547454 1207388827 /nfs/dbraw/zinc/38/88/27/1207388827.db2.gz JLQWPWUSCLBGSD-UHFFFAOYSA-N 2 2 363.462 0.055 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857753 1207395335 /nfs/dbraw/zinc/39/53/35/1207395335.db2.gz QGYSUNWSTYUULN-OKZBNKHCSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857753 1207395340 /nfs/dbraw/zinc/39/53/40/1207395340.db2.gz QGYSUNWSTYUULN-OKZBNKHCSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857753 1207395344 /nfs/dbraw/zinc/39/53/44/1207395344.db2.gz QGYSUNWSTYUULN-OKZBNKHCSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001187857753 1207395350 /nfs/dbraw/zinc/39/53/50/1207395350.db2.gz QGYSUNWSTYUULN-OKZBNKHCSA-N 2 2 362.518 0.918 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667342 1224999514 /nfs/dbraw/zinc/99/95/14/1224999514.db2.gz FFCLKEBVLYGVEM-OIISXLGYSA-N 2 2 368.522 0.183 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667342 1224999527 /nfs/dbraw/zinc/99/95/27/1224999527.db2.gz FFCLKEBVLYGVEM-OIISXLGYSA-N 2 2 368.522 0.183 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126723 1207509052 /nfs/dbraw/zinc/50/90/52/1207509052.db2.gz LTSOTCZTFLSJSY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126723 1207509054 /nfs/dbraw/zinc/50/90/54/1207509054.db2.gz LTSOTCZTFLSJSY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126723 1207509062 /nfs/dbraw/zinc/50/90/62/1207509062.db2.gz LTSOTCZTFLSJSY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126723 1207509068 /nfs/dbraw/zinc/50/90/68/1207509068.db2.gz LTSOTCZTFLSJSY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126380 1207509168 /nfs/dbraw/zinc/50/91/68/1207509168.db2.gz GMTDNZLVNOMXFO-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126380 1207509174 /nfs/dbraw/zinc/50/91/74/1207509174.db2.gz GMTDNZLVNOMXFO-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126380 1207509179 /nfs/dbraw/zinc/50/91/79/1207509179.db2.gz GMTDNZLVNOMXFO-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126380 1207509184 /nfs/dbraw/zinc/50/91/84/1207509184.db2.gz GMTDNZLVNOMXFO-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126381 1207509542 /nfs/dbraw/zinc/50/95/42/1207509542.db2.gz GMTDNZLVNOMXFO-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126381 1207509543 /nfs/dbraw/zinc/50/95/43/1207509543.db2.gz GMTDNZLVNOMXFO-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126381 1207509548 /nfs/dbraw/zinc/50/95/48/1207509548.db2.gz GMTDNZLVNOMXFO-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126381 1207509550 /nfs/dbraw/zinc/50/95/50/1207509550.db2.gz GMTDNZLVNOMXFO-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189811370 1207604192 /nfs/dbraw/zinc/60/41/92/1207604192.db2.gz ZSVXFMRPKFSCPR-DOTOQJQBSA-N 2 2 364.494 0.217 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189811370 1207604199 /nfs/dbraw/zinc/60/41/99/1207604199.db2.gz ZSVXFMRPKFSCPR-DOTOQJQBSA-N 2 2 364.494 0.217 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189922884 1207621361 /nfs/dbraw/zinc/62/13/61/1207621361.db2.gz FSYRWAOCPNYTRG-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189922884 1207621377 /nfs/dbraw/zinc/62/13/77/1207621377.db2.gz FSYRWAOCPNYTRG-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189922884 1207621381 /nfs/dbraw/zinc/62/13/81/1207621381.db2.gz FSYRWAOCPNYTRG-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189941766 1207628393 /nfs/dbraw/zinc/62/83/93/1207628393.db2.gz DQYDAKKEQMGCNV-GOEBONIOSA-N 2 2 362.478 0.501 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001189941766 1207628400 /nfs/dbraw/zinc/62/84/00/1207628400.db2.gz DQYDAKKEQMGCNV-GOEBONIOSA-N 2 2 362.478 0.501 20 0 FCADLP O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220687803 1225013400 /nfs/dbraw/zinc/01/34/00/1225013400.db2.gz UPPOXQKVPHNHSY-FUHIMQAGSA-N 2 2 356.470 0.493 20 0 FCADLP C[N@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430745 1207752068 /nfs/dbraw/zinc/75/20/68/1207752068.db2.gz QOEUUBZYINMCBK-HNNXBMFYSA-N 2 2 369.510 0.931 20 0 FCADLP C[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430745 1207752074 /nfs/dbraw/zinc/75/20/74/1207752074.db2.gz QOEUUBZYINMCBK-HNNXBMFYSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+](CCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430745 1207752082 /nfs/dbraw/zinc/75/20/82/1207752082.db2.gz QOEUUBZYINMCBK-HNNXBMFYSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430745 1207752089 /nfs/dbraw/zinc/75/20/89/1207752089.db2.gz QOEUUBZYINMCBK-HNNXBMFYSA-N 2 2 369.510 0.931 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001192580520 1207838610 /nfs/dbraw/zinc/83/86/10/1207838610.db2.gz HGUFXTPGCNNEGE-IAGOWNOFSA-N 2 2 370.453 0.681 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001192580520 1207838612 /nfs/dbraw/zinc/83/86/12/1207838612.db2.gz HGUFXTPGCNNEGE-IAGOWNOFSA-N 2 2 370.453 0.681 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001192633198 1207841235 /nfs/dbraw/zinc/84/12/35/1207841235.db2.gz SEOAERRDABOODZ-IAGOWNOFSA-N 2 2 358.442 0.850 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001192633198 1207841236 /nfs/dbraw/zinc/84/12/36/1207841236.db2.gz SEOAERRDABOODZ-IAGOWNOFSA-N 2 2 358.442 0.850 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001192977735 1207855653 /nfs/dbraw/zinc/85/56/53/1207855653.db2.gz KERGJNXHSAYTEW-OWCLPIDISA-N 2 2 368.522 0.456 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001192977735 1207855657 /nfs/dbraw/zinc/85/56/57/1207855657.db2.gz KERGJNXHSAYTEW-OWCLPIDISA-N 2 2 368.522 0.456 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001192977734 1207855806 /nfs/dbraw/zinc/85/58/06/1207855806.db2.gz KERGJNXHSAYTEW-BZUAXINKSA-N 2 2 368.522 0.456 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001192977734 1207855808 /nfs/dbraw/zinc/85/58/08/1207855808.db2.gz KERGJNXHSAYTEW-BZUAXINKSA-N 2 2 368.522 0.456 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O ZINC001193737530 1207886254 /nfs/dbraw/zinc/88/62/54/1207886254.db2.gz AJCKXTXHQNZBNP-FGTMMUONSA-N 2 2 361.490 0.475 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O ZINC001193737530 1207886255 /nfs/dbraw/zinc/88/62/55/1207886255.db2.gz AJCKXTXHQNZBNP-FGTMMUONSA-N 2 2 361.490 0.475 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193755996 1207890440 /nfs/dbraw/zinc/89/04/40/1207890440.db2.gz OMCYOKAPRQNMCA-RBSFLKMASA-N 2 2 371.432 0.020 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193755996 1207890443 /nfs/dbraw/zinc/89/04/43/1207890443.db2.gz OMCYOKAPRQNMCA-RBSFLKMASA-N 2 2 371.432 0.020 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CC1 ZINC001194032223 1207908837 /nfs/dbraw/zinc/90/88/37/1207908837.db2.gz NEEFAUNWVHSXSC-ZACQAIPSSA-N 2 2 364.490 0.903 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CC1 ZINC001194032223 1207908842 /nfs/dbraw/zinc/90/88/42/1207908842.db2.gz NEEFAUNWVHSXSC-ZACQAIPSSA-N 2 2 364.490 0.903 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996837 1207909499 /nfs/dbraw/zinc/90/94/99/1207909499.db2.gz HLLGOMUAYKPBSS-BRWVUGGUSA-N 2 2 368.478 0.295 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996837 1207909501 /nfs/dbraw/zinc/90/95/01/1207909501.db2.gz HLLGOMUAYKPBSS-BRWVUGGUSA-N 2 2 368.478 0.295 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1O)[NH+](C)C ZINC001194095928 1207918878 /nfs/dbraw/zinc/91/88/78/1207918878.db2.gz WEVSPSLDBWELES-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1O)[NH+](C)C ZINC001194095928 1207918884 /nfs/dbraw/zinc/91/88/84/1207918884.db2.gz WEVSPSLDBWELES-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258762 1207927575 /nfs/dbraw/zinc/92/75/75/1207927575.db2.gz OEDOVEMVRLZGLD-QLFBSQMISA-N 2 2 368.522 0.277 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258762 1207927576 /nfs/dbraw/zinc/92/75/76/1207927576.db2.gz OEDOVEMVRLZGLD-QLFBSQMISA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258762 1207927577 /nfs/dbraw/zinc/92/75/77/1207927577.db2.gz OEDOVEMVRLZGLD-QLFBSQMISA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258762 1207927578 /nfs/dbraw/zinc/92/75/78/1207927578.db2.gz OEDOVEMVRLZGLD-QLFBSQMISA-N 2 2 368.522 0.277 20 0 FCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194321482 1207932916 /nfs/dbraw/zinc/93/29/16/1207932916.db2.gz XXHUMFYKQGWMMM-OWCLPIDISA-N 2 2 366.506 0.079 20 0 FCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194321482 1207932921 /nfs/dbraw/zinc/93/29/21/1207932921.db2.gz XXHUMFYKQGWMMM-OWCLPIDISA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194321482 1207932925 /nfs/dbraw/zinc/93/29/25/1207932925.db2.gz XXHUMFYKQGWMMM-OWCLPIDISA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001194321482 1207932929 /nfs/dbraw/zinc/93/29/29/1207932929.db2.gz XXHUMFYKQGWMMM-OWCLPIDISA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289357 1207934586 /nfs/dbraw/zinc/93/45/86/1207934586.db2.gz KQRYNCKEKQGBFV-ZTFGCOKTSA-N 2 2 370.457 0.620 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289357 1207934588 /nfs/dbraw/zinc/93/45/88/1207934588.db2.gz KQRYNCKEKQGBFV-ZTFGCOKTSA-N 2 2 370.457 0.620 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290366 1207935428 /nfs/dbraw/zinc/93/54/28/1207935428.db2.gz TZNGZHIHQFHNCP-QZTJIDSGSA-N 2 2 355.442 0.664 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290366 1207935430 /nfs/dbraw/zinc/93/54/30/1207935430.db2.gz TZNGZHIHQFHNCP-QZTJIDSGSA-N 2 2 355.442 0.664 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729617 1207971876 /nfs/dbraw/zinc/97/18/76/1207971876.db2.gz YHIHOZYPXPTZES-RRFJBIMHSA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729617 1207971879 /nfs/dbraw/zinc/97/18/79/1207971879.db2.gz YHIHOZYPXPTZES-RRFJBIMHSA-N 2 2 365.478 0.046 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O ZINC001194721121 1207974005 /nfs/dbraw/zinc/97/40/05/1207974005.db2.gz QULYJQZAMFRKLS-QZTJIDSGSA-N 2 2 358.442 0.570 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(C)C ZINC001195849550 1208041584 /nfs/dbraw/zinc/04/15/84/1208041584.db2.gz BCNZQRANZYKYBE-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(C)C ZINC001195849550 1208041588 /nfs/dbraw/zinc/04/15/88/1208041588.db2.gz BCNZQRANZYKYBE-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@H]1O ZINC001195859633 1208041739 /nfs/dbraw/zinc/04/17/39/1208041739.db2.gz MHWYJQXPKGDIHP-OWCLPIDISA-N 2 2 368.522 0.137 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@H]1O ZINC001195859633 1208041742 /nfs/dbraw/zinc/04/17/42/1208041742.db2.gz MHWYJQXPKGDIHP-OWCLPIDISA-N 2 2 368.522 0.137 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894180 1208043734 /nfs/dbraw/zinc/04/37/34/1208043734.db2.gz VYVACADLJQQJPH-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894180 1208043737 /nfs/dbraw/zinc/04/37/37/1208043737.db2.gz VYVACADLJQQJPH-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894180 1208043740 /nfs/dbraw/zinc/04/37/40/1208043740.db2.gz VYVACADLJQQJPH-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894180 1208043742 /nfs/dbraw/zinc/04/37/42/1208043742.db2.gz VYVACADLJQQJPH-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195893252 1208043996 /nfs/dbraw/zinc/04/39/96/1208043996.db2.gz CFBKYYCGLDMOKW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195893252 1208044002 /nfs/dbraw/zinc/04/40/02/1208044002.db2.gz CFBKYYCGLDMOKW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195893252 1208044006 /nfs/dbraw/zinc/04/40/06/1208044006.db2.gz CFBKYYCGLDMOKW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195893252 1208044008 /nfs/dbraw/zinc/04/40/08/1208044008.db2.gz CFBKYYCGLDMOKW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195973685 1208049460 /nfs/dbraw/zinc/04/94/60/1208049460.db2.gz YEWATEDDTNUNTD-JFIYKMOQSA-N 2 2 364.490 0.728 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195973685 1208049466 /nfs/dbraw/zinc/04/94/66/1208049466.db2.gz YEWATEDDTNUNTD-JFIYKMOQSA-N 2 2 364.490 0.728 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268228 1208069666 /nfs/dbraw/zinc/06/96/66/1208069666.db2.gz CYBFCZNYYFUCFB-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268228 1208069668 /nfs/dbraw/zinc/06/96/68/1208069668.db2.gz CYBFCZNYYFUCFB-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268228 1208069671 /nfs/dbraw/zinc/06/96/71/1208069671.db2.gz CYBFCZNYYFUCFB-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268228 1208069675 /nfs/dbraw/zinc/06/96/75/1208069675.db2.gz CYBFCZNYYFUCFB-BRWVUGGUSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O)[NH+](C)C ZINC001196276348 1208071933 /nfs/dbraw/zinc/07/19/33/1208071933.db2.gz NHUUJNJYNNHYQR-OWCLPIDISA-N 2 2 363.458 0.459 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O)[NH+](C)C ZINC001196276348 1208071938 /nfs/dbraw/zinc/07/19/38/1208071938.db2.gz NHUUJNJYNNHYQR-OWCLPIDISA-N 2 2 363.458 0.459 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)C2)on1 ZINC001196300088 1208073691 /nfs/dbraw/zinc/07/36/91/1208073691.db2.gz RRUVAZDMZJDNEE-USXIJHARSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)C2)on1 ZINC001196300088 1208073695 /nfs/dbraw/zinc/07/36/95/1208073695.db2.gz RRUVAZDMZJDNEE-USXIJHARSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@H]1O ZINC001196925359 1208119003 /nfs/dbraw/zinc/11/90/03/1208119003.db2.gz KNCUUJYJTMXHCH-IAOVAPTHSA-N 2 2 358.446 0.684 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@H]1O ZINC001196925359 1208119004 /nfs/dbraw/zinc/11/90/04/1208119004.db2.gz KNCUUJYJTMXHCH-IAOVAPTHSA-N 2 2 358.446 0.684 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000895 1208127767 /nfs/dbraw/zinc/12/77/67/1208127767.db2.gz NSRWMNFWQYRGHD-BRWVUGGUSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000895 1208127769 /nfs/dbraw/zinc/12/77/69/1208127769.db2.gz NSRWMNFWQYRGHD-BRWVUGGUSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000895 1208127775 /nfs/dbraw/zinc/12/77/75/1208127775.db2.gz NSRWMNFWQYRGHD-BRWVUGGUSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010453 1208129571 /nfs/dbraw/zinc/12/95/71/1208129571.db2.gz RTCQWJFHHLKJAX-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010453 1208129572 /nfs/dbraw/zinc/12/95/72/1208129572.db2.gz RTCQWJFHHLKJAX-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010453 1208129574 /nfs/dbraw/zinc/12/95/74/1208129574.db2.gz RTCQWJFHHLKJAX-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010453 1208129575 /nfs/dbraw/zinc/12/95/75/1208129575.db2.gz RTCQWJFHHLKJAX-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010454 1208129763 /nfs/dbraw/zinc/12/97/63/1208129763.db2.gz RTCQWJFHHLKJAX-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010454 1208129767 /nfs/dbraw/zinc/12/97/67/1208129767.db2.gz RTCQWJFHHLKJAX-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010454 1208129770 /nfs/dbraw/zinc/12/97/70/1208129770.db2.gz RTCQWJFHHLKJAX-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001197010454 1208129774 /nfs/dbraw/zinc/12/97/74/1208129774.db2.gz RTCQWJFHHLKJAX-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001197049372 1208130551 /nfs/dbraw/zinc/13/05/51/1208130551.db2.gz MXAWJIDRRXVUMJ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001197049372 1208130553 /nfs/dbraw/zinc/13/05/53/1208130553.db2.gz MXAWJIDRRXVUMJ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1O)C(C)C ZINC001197026086 1208132880 /nfs/dbraw/zinc/13/28/80/1208132880.db2.gz ZFKOASFKVYLEKV-NUJGCVRESA-N 2 2 370.538 0.381 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1O)C(C)C ZINC001197026086 1208132882 /nfs/dbraw/zinc/13/28/82/1208132882.db2.gz ZFKOASFKVYLEKV-NUJGCVRESA-N 2 2 370.538 0.381 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197025180 1208133208 /nfs/dbraw/zinc/13/32/08/1208133208.db2.gz OYAKDNWAHVAHAG-NUJGCVRESA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197025180 1208133210 /nfs/dbraw/zinc/13/32/10/1208133210.db2.gz OYAKDNWAHVAHAG-NUJGCVRESA-N 2 2 370.538 0.383 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(CN3CCC[NH+](C)CC3)c2)C1 ZINC001197510897 1208169191 /nfs/dbraw/zinc/16/91/91/1208169191.db2.gz ZKSDZYCPVNJAHP-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)c2cccc(CN3CCC[NH+](C)CC3)c2)C1 ZINC001197510897 1208169192 /nfs/dbraw/zinc/16/91/92/1208169192.db2.gz ZKSDZYCPVNJAHP-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)c2cccc(CN3CCC[N@H+](C)CC3)c2)C1 ZINC001197510897 1208169193 /nfs/dbraw/zinc/16/91/93/1208169193.db2.gz ZKSDZYCPVNJAHP-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)c2cccc(CN3CCC[N@@H+](C)CC3)c2)C1 ZINC001197510897 1208169195 /nfs/dbraw/zinc/16/91/95/1208169195.db2.gz ZKSDZYCPVNJAHP-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197724930 1208191233 /nfs/dbraw/zinc/19/12/33/1208191233.db2.gz YTHZMGUXSDRONR-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1O ZINC001197724930 1208191235 /nfs/dbraw/zinc/19/12/35/1208191235.db2.gz YTHZMGUXSDRONR-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742896 1208192644 /nfs/dbraw/zinc/19/26/44/1208192644.db2.gz LANXCYYVVGKRNR-QRVBRYPASA-N 2 2 371.485 0.737 20 0 FCADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742896 1208192647 /nfs/dbraw/zinc/19/26/47/1208192647.db2.gz LANXCYYVVGKRNR-QRVBRYPASA-N 2 2 371.485 0.737 20 0 FCADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001197742896 1208192651 /nfs/dbraw/zinc/19/26/51/1208192651.db2.gz LANXCYYVVGKRNR-QRVBRYPASA-N 2 2 371.485 0.737 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826407 1208201975 /nfs/dbraw/zinc/20/19/75/1208201975.db2.gz VXNADEFSWFHUAC-IAGOWNOFSA-N 2 2 367.494 0.012 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826407 1208201979 /nfs/dbraw/zinc/20/19/79/1208201979.db2.gz VXNADEFSWFHUAC-IAGOWNOFSA-N 2 2 367.494 0.012 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197948780 1208208617 /nfs/dbraw/zinc/20/86/17/1208208617.db2.gz LRFZDPNCJOYGGT-QZTJIDSGSA-N 2 2 367.465 0.711 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197948780 1208208620 /nfs/dbraw/zinc/20/86/20/1208208620.db2.gz LRFZDPNCJOYGGT-QZTJIDSGSA-N 2 2 367.465 0.711 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729677 1208284022 /nfs/dbraw/zinc/28/40/22/1208284022.db2.gz WOUJSYJRSJVXTO-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729677 1208284026 /nfs/dbraw/zinc/28/40/26/1208284026.db2.gz WOUJSYJRSJVXTO-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001198729578 1208284358 /nfs/dbraw/zinc/28/43/58/1208284358.db2.gz TTZKOTATOGPXQC-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001198729578 1208284360 /nfs/dbraw/zinc/28/43/60/1208284360.db2.gz TTZKOTATOGPXQC-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001199111738 1208321832 /nfs/dbraw/zinc/32/18/32/1208321832.db2.gz JWFOFYWWANYZRA-HZPDHXFCSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001199111738 1208321833 /nfs/dbraw/zinc/32/18/33/1208321833.db2.gz JWFOFYWWANYZRA-HZPDHXFCSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001199111738 1208321834 /nfs/dbraw/zinc/32/18/34/1208321834.db2.gz JWFOFYWWANYZRA-HZPDHXFCSA-N 2 2 363.458 0.459 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@H]2COCCC23OCCO3)CC1 ZINC001199358896 1208342573 /nfs/dbraw/zinc/34/25/73/1208342573.db2.gz DEJZQOAEYPQWAY-INIZCTEOSA-N 2 2 362.430 0.095 20 0 FCADLP Cc1ccccc1C(=O)N1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001199811572 1208371070 /nfs/dbraw/zinc/37/10/70/1208371070.db2.gz CRQCUTCBEMPCKF-UHFFFAOYSA-N 2 2 358.486 0.963 20 0 FCADLP Nc1n[nH]c(CC(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)n1 ZINC001273817387 1208392171 /nfs/dbraw/zinc/39/21/71/1208392171.db2.gz RTRLDIVYQIGYOD-SJORKVTESA-N 2 2 358.450 0.377 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cnn(C)c2)n1 ZINC001691703393 1208426541 /nfs/dbraw/zinc/42/65/41/1208426541.db2.gz CDQWBJFMFUOCLR-LSDHHAIUSA-N 2 2 361.450 0.147 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C(C)C)CC1 ZINC001273848073 1208430492 /nfs/dbraw/zinc/43/04/92/1208430492.db2.gz MTGHYQCJFJXJTF-ROUUACIJSA-N 2 2 368.522 0.308 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH+](C(C)C)CC1 ZINC001273848073 1208430495 /nfs/dbraw/zinc/43/04/95/1208430495.db2.gz MTGHYQCJFJXJTF-ROUUACIJSA-N 2 2 368.522 0.308 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578515 1208487599 /nfs/dbraw/zinc/48/75/99/1208487599.db2.gz KGYUVAFNOGJCPH-VQHPVUNQSA-N 2 2 362.474 0.491 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578515 1208487607 /nfs/dbraw/zinc/48/76/07/1208487607.db2.gz KGYUVAFNOGJCPH-VQHPVUNQSA-N 2 2 362.474 0.491 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802276 1225080960 /nfs/dbraw/zinc/08/09/60/1225080960.db2.gz UTGGZTSHOIYDKY-XHSDSOJGSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802276 1225080966 /nfs/dbraw/zinc/08/09/66/1225080966.db2.gz UTGGZTSHOIYDKY-XHSDSOJGSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220829210 1225093402 /nfs/dbraw/zinc/09/34/02/1225093402.db2.gz NXFYNXKDECNLML-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220829210 1225093413 /nfs/dbraw/zinc/09/34/13/1225093413.db2.gz NXFYNXKDECNLML-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220829210 1225093422 /nfs/dbraw/zinc/09/34/22/1225093422.db2.gz NXFYNXKDECNLML-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220829210 1225093430 /nfs/dbraw/zinc/09/34/30/1225093430.db2.gz NXFYNXKDECNLML-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP COC(=O)[C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1c[nH]c2ccc(OC)cc21 ZINC001220839686 1225099690 /nfs/dbraw/zinc/09/96/90/1225099690.db2.gz CIQPLJNPIAHMBH-HQQWDMGQSA-N 2 2 360.414 0.239 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1N ZINC000850813147 1209490274 /nfs/dbraw/zinc/49/02/74/1209490274.db2.gz CVIQBPVVJYEWKK-OAHLLOKOSA-N 2 2 359.474 0.800 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1N ZINC000850813147 1209490278 /nfs/dbraw/zinc/49/02/78/1209490278.db2.gz CVIQBPVVJYEWKK-OAHLLOKOSA-N 2 2 359.474 0.800 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000851685695 1209512170 /nfs/dbraw/zinc/51/21/70/1209512170.db2.gz DMMFFHJOBMHELQ-UHFFFAOYSA-N 2 2 361.490 0.645 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110642989 1209531679 /nfs/dbraw/zinc/53/16/79/1209531679.db2.gz UQXWDJQYULAPCT-TWMKSMIVSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110642989 1209531680 /nfs/dbraw/zinc/53/16/80/1209531680.db2.gz UQXWDJQYULAPCT-TWMKSMIVSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110642989 1209531686 /nfs/dbraw/zinc/53/16/86/1209531686.db2.gz UQXWDJQYULAPCT-TWMKSMIVSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000852433008 1209547548 /nfs/dbraw/zinc/54/75/48/1209547548.db2.gz NFVJYUAOYXGVBC-MRXNPFEDSA-N 2 2 373.457 0.647 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H](N2CCOC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000852433008 1209547559 /nfs/dbraw/zinc/54/75/59/1209547559.db2.gz NFVJYUAOYXGVBC-MRXNPFEDSA-N 2 2 373.457 0.647 20 0 FCADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853741248 1209605120 /nfs/dbraw/zinc/60/51/20/1209605120.db2.gz DUKZWAVTPJUQQT-ZWKOTPCHSA-N 2 2 366.506 0.746 20 0 FCADLP COc1ccnc(C2(CNC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CCOCC2)c1 ZINC001220990651 1225177964 /nfs/dbraw/zinc/17/79/64/1225177964.db2.gz TUFPPDJAHOYWQT-CWRNSKLLSA-N 2 2 360.458 0.205 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000794560870 1209953416 /nfs/dbraw/zinc/95/34/16/1209953416.db2.gz QAHJGERQAWIZCA-UHFFFAOYSA-N 2 2 370.538 0.928 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001220989226 1225176615 /nfs/dbraw/zinc/17/66/15/1225176615.db2.gz QCEYRAJMIPLDQX-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1)C1CC1 ZINC001220989226 1225176620 /nfs/dbraw/zinc/17/66/20/1225176620.db2.gz QCEYRAJMIPLDQX-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989130 1225176979 /nfs/dbraw/zinc/17/69/79/1225176979.db2.gz MADZCQJRZHTEAM-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989130 1225176985 /nfs/dbraw/zinc/17/69/85/1225176985.db2.gz MADZCQJRZHTEAM-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP Cn1cc([C@H](O)C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000865475417 1209979029 /nfs/dbraw/zinc/97/90/29/1209979029.db2.gz WKHYLGXGVGJRFI-LJQANCHMSA-N 2 2 360.458 0.954 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215008 1210044623 /nfs/dbraw/zinc/04/46/23/1210044623.db2.gz AFENMDJMTUBRTB-ZWKOTPCHSA-N 2 2 365.522 0.271 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215008 1210044625 /nfs/dbraw/zinc/04/46/25/1210044625.db2.gz AFENMDJMTUBRTB-ZWKOTPCHSA-N 2 2 365.522 0.271 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000868286537 1210049618 /nfs/dbraw/zinc/04/96/18/1210049618.db2.gz OKAGALMIVOGERR-IAGOWNOFSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000868286535 1210049817 /nfs/dbraw/zinc/04/98/17/1210049817.db2.gz OKAGALMIVOGERR-DLBZAZTESA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000868309772 1210050833 /nfs/dbraw/zinc/05/08/33/1210050833.db2.gz MGCZWXHQGKWQSF-OAHLLOKOSA-N 2 2 373.501 0.883 20 0 FCADLP CONC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872902226 1210219807 /nfs/dbraw/zinc/21/98/07/1210219807.db2.gz AWXZLRWECIJJET-OAHLLOKOSA-N 2 2 367.494 0.254 20 0 FCADLP CONC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872902226 1210219820 /nfs/dbraw/zinc/21/98/20/1210219820.db2.gz AWXZLRWECIJJET-OAHLLOKOSA-N 2 2 367.494 0.254 20 0 FCADLP COc1cncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000873827079 1210263431 /nfs/dbraw/zinc/26/34/31/1210263431.db2.gz XNYGQVWURHQMJY-ZDUSSCGKSA-N 2 2 361.446 0.313 20 0 FCADLP COc1cncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000873827079 1210263433 /nfs/dbraw/zinc/26/34/33/1210263433.db2.gz XNYGQVWURHQMJY-ZDUSSCGKSA-N 2 2 361.446 0.313 20 0 FCADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221058390 1225202280 /nfs/dbraw/zinc/20/22/80/1225202280.db2.gz HOXBHZKIFHAQSQ-LQWHRVPQSA-N 2 2 367.449 0.992 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001221069535 1225208223 /nfs/dbraw/zinc/20/82/23/1225208223.db2.gz FKUZYOQVNZTIMG-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)n1 ZINC001221069535 1225208226 /nfs/dbraw/zinc/20/82/26/1225208226.db2.gz FKUZYOQVNZTIMG-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP CN(C[C@](C)(O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000879356016 1210479034 /nfs/dbraw/zinc/47/90/34/1210479034.db2.gz VSGCUILMQNLMNN-GOSISDBHSA-N 2 2 372.510 0.310 20 0 FCADLP CN(C[C@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000879356016 1210479036 /nfs/dbraw/zinc/47/90/36/1210479036.db2.gz VSGCUILMQNLMNN-GOSISDBHSA-N 2 2 372.510 0.310 20 0 FCADLP O=C(CC[NH+]1CCC(CO)(CO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000879968369 1210507003 /nfs/dbraw/zinc/50/70/03/1210507003.db2.gz NGACQJXDUMOCKH-UHFFFAOYSA-N 2 2 362.474 0.187 20 0 FCADLP C[C@H]([NH3+])c1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000881093587 1210568692 /nfs/dbraw/zinc/56/86/92/1210568692.db2.gz CFQXIRUSXGIFIE-AWEZNQCLSA-N 2 2 358.446 0.446 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)Cn3cc([C@H](C)[NH3+])nn3)CC2)cc1 ZINC000881287523 1210582603 /nfs/dbraw/zinc/58/26/03/1210582603.db2.gz OLSRVQMXAAKFJP-AWEZNQCLSA-N 2 2 358.446 0.651 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883346650 1210664010 /nfs/dbraw/zinc/66/40/10/1210664010.db2.gz DTKCEXSSCIGSFI-FUHWJXTLSA-N 2 2 367.538 0.565 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992258 1210707374 /nfs/dbraw/zinc/70/73/74/1210707374.db2.gz IFMLNZFRZPTJPD-LJQANCHMSA-N 2 2 359.474 0.728 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992258 1210707379 /nfs/dbraw/zinc/70/73/79/1210707379.db2.gz IFMLNZFRZPTJPD-LJQANCHMSA-N 2 2 359.474 0.728 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992257 1210707478 /nfs/dbraw/zinc/70/74/78/1210707478.db2.gz IFMLNZFRZPTJPD-IBGZPJMESA-N 2 2 359.474 0.728 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992257 1210707480 /nfs/dbraw/zinc/70/74/80/1210707480.db2.gz IFMLNZFRZPTJPD-IBGZPJMESA-N 2 2 359.474 0.728 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)C[C@H]3CCCO3)CC2)CC1 ZINC000884124310 1210716184 /nfs/dbraw/zinc/71/61/84/1210716184.db2.gz UGAHQUNPFJRTBF-SJLPKXTDSA-N 2 2 368.522 0.774 20 0 FCADLP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252675 1210726615 /nfs/dbraw/zinc/72/66/15/1210726615.db2.gz PVRPASVEKMGLEM-DOTOQJQBSA-N 2 2 370.453 0.725 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427123 1210734900 /nfs/dbraw/zinc/73/49/00/1210734900.db2.gz IHYKKWVZQRTQSG-WBVHZDCISA-N 2 2 361.442 0.454 20 0 FCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000884639238 1210769313 /nfs/dbraw/zinc/76/93/13/1210769313.db2.gz SQYNRUHGEZYDFV-RHSMWYFYSA-N 2 2 371.441 0.570 20 0 FCADLP CC1(C)CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[NH2+]C1 ZINC000884643607 1210771559 /nfs/dbraw/zinc/77/15/59/1210771559.db2.gz MLLHSVUHCXBNDM-CABCVRRESA-N 2 2 359.474 0.671 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884676356 1210777922 /nfs/dbraw/zinc/77/79/22/1210777922.db2.gz KPQPTIXBQJDUDY-KRWDZBQOSA-N 2 2 355.442 0.999 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000884677685 1210778018 /nfs/dbraw/zinc/77/80/18/1210778018.db2.gz ALWCYDWSHBUPEW-IAGOWNOFSA-N 2 2 362.449 0.899 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000884678503 1210778032 /nfs/dbraw/zinc/77/80/32/1210778032.db2.gz DKKYUVYSFLOHMM-MSOLQXFVSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000884678503 1210778033 /nfs/dbraw/zinc/77/80/33/1210778033.db2.gz DKKYUVYSFLOHMM-MSOLQXFVSA-N 2 2 374.485 0.166 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000884726631 1210791025 /nfs/dbraw/zinc/79/10/25/1210791025.db2.gz YASVFAFXTNPJNB-VUNQQRPYSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000884726631 1210791031 /nfs/dbraw/zinc/79/10/31/1210791031.db2.gz YASVFAFXTNPJNB-VUNQQRPYSA-N 2 2 356.470 0.794 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000884824976 1210799746 /nfs/dbraw/zinc/79/97/46/1210799746.db2.gz XZXNSBDZCVOROA-RYQLBKOJSA-N 2 2 374.485 0.179 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000884824976 1210799750 /nfs/dbraw/zinc/79/97/50/1210799750.db2.gz XZXNSBDZCVOROA-RYQLBKOJSA-N 2 2 374.485 0.179 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[NH2+]C1 ZINC000884878771 1210802472 /nfs/dbraw/zinc/80/24/72/1210802472.db2.gz IMPSAOIMJYHRGS-GOEBONIOSA-N 2 2 360.458 0.956 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000885009865 1210807909 /nfs/dbraw/zinc/80/79/09/1210807909.db2.gz FLSQPBXQEKFQPN-KFESYUHLSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000885009865 1210807911 /nfs/dbraw/zinc/80/79/11/1210807911.db2.gz FLSQPBXQEKFQPN-KFESYUHLSA-N 2 2 366.506 0.201 20 0 FCADLP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221153653 1225242069 /nfs/dbraw/zinc/24/20/69/1225242069.db2.gz NZJMZBROFCYMMH-HRCADAONSA-N 2 2 357.458 0.555 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000885022094 1210809709 /nfs/dbraw/zinc/80/97/09/1210809709.db2.gz KAIUIBVPWVIDCI-QGZVFWFLSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000885022094 1210809710 /nfs/dbraw/zinc/80/97/10/1210809710.db2.gz KAIUIBVPWVIDCI-QGZVFWFLSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000885022914 1210810237 /nfs/dbraw/zinc/81/02/37/1210810237.db2.gz UYSXGAMZBVYLGI-AHRSYUTCSA-N 2 2 356.470 0.747 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000885022914 1210810239 /nfs/dbraw/zinc/81/02/39/1210810239.db2.gz UYSXGAMZBVYLGI-AHRSYUTCSA-N 2 2 356.470 0.747 20 0 FCADLP [NH3+][C@H]1CCN(C(=O)C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000885112034 1210811069 /nfs/dbraw/zinc/81/10/69/1210811069.db2.gz CZPLTMSXNYBLCR-KRWDZBQOSA-N 2 2 367.453 0.764 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000885227041 1210815817 /nfs/dbraw/zinc/81/58/17/1210815817.db2.gz DYZCOAIZOUAZEV-PXNSSMCTSA-N 2 2 367.453 0.953 20 0 FCADLP CCN(C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000885228292 1210816248 /nfs/dbraw/zinc/81/62/48/1210816248.db2.gz SNFGLRKTCSUGGZ-SJORKVTESA-N 2 2 355.442 0.951 20 0 FCADLP COC(=O)c1cncc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000886529112 1210831881 /nfs/dbraw/zinc/83/18/81/1210831881.db2.gz WOCJKGOCRONJKK-CRAIPNDOSA-N 2 2 362.474 0.925 20 0 FCADLP CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000886850379 1210837925 /nfs/dbraw/zinc/83/79/25/1210837925.db2.gz CLFYDQAURQEJOR-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872185 1210838823 /nfs/dbraw/zinc/83/88/23/1210838823.db2.gz LSBIXSYDYHNXMM-ICSRJNTNSA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872185 1210838824 /nfs/dbraw/zinc/83/88/24/1210838824.db2.gz LSBIXSYDYHNXMM-ICSRJNTNSA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872185 1210838825 /nfs/dbraw/zinc/83/88/25/1210838825.db2.gz LSBIXSYDYHNXMM-ICSRJNTNSA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872185 1210838826 /nfs/dbraw/zinc/83/88/26/1210838826.db2.gz LSBIXSYDYHNXMM-ICSRJNTNSA-N 3 2 366.550 0.925 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162842 1225247918 /nfs/dbraw/zinc/24/79/18/1225247918.db2.gz IQCKIMLSPXWFRC-OTWHNJEPSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162842 1225247923 /nfs/dbraw/zinc/24/79/23/1225247923.db2.gz IQCKIMLSPXWFRC-OTWHNJEPSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162842 1225247925 /nfs/dbraw/zinc/24/79/25/1225247925.db2.gz IQCKIMLSPXWFRC-OTWHNJEPSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162842 1225247928 /nfs/dbraw/zinc/24/79/28/1225247928.db2.gz IQCKIMLSPXWFRC-OTWHNJEPSA-N 2 2 361.486 0.849 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)c[nH+]1 ZINC001274098387 1210880140 /nfs/dbraw/zinc/88/01/40/1210880140.db2.gz NMUXMKZMRYLEFT-BZUAXINKSA-N 2 2 359.474 0.392 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274419303 1211049934 /nfs/dbraw/zinc/04/99/34/1211049934.db2.gz RNZYDBYSBLCBDB-KSZLIROESA-N 2 2 359.474 0.137 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cn2c(n1)COCC2 ZINC001275148264 1211180519 /nfs/dbraw/zinc/18/05/19/1211180519.db2.gz JEINGSIXBQUVGI-IBGZPJMESA-N 2 2 361.490 0.932 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cn2c(n1)COCC2 ZINC001275148264 1211180521 /nfs/dbraw/zinc/18/05/21/1211180521.db2.gz JEINGSIXBQUVGI-IBGZPJMESA-N 2 2 361.490 0.932 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161823 1211185153 /nfs/dbraw/zinc/18/51/53/1211185153.db2.gz JQIIWLRREFYJQP-IBGZPJMESA-N 2 2 360.506 0.472 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161823 1211185156 /nfs/dbraw/zinc/18/51/56/1211185156.db2.gz JQIIWLRREFYJQP-IBGZPJMESA-N 2 2 360.506 0.472 20 0 FCADLP COCCOC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001275171952 1211188682 /nfs/dbraw/zinc/18/86/82/1211188682.db2.gz PLUOVEDIWBVFTF-IEBWSBKVSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001275171952 1211188686 /nfs/dbraw/zinc/18/86/86/1211188686.db2.gz PLUOVEDIWBVFTF-IEBWSBKVSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001275171952 1211188689 /nfs/dbraw/zinc/18/86/89/1211188689.db2.gz PLUOVEDIWBVFTF-IEBWSBKVSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001275171952 1211188694 /nfs/dbraw/zinc/18/86/94/1211188694.db2.gz PLUOVEDIWBVFTF-IEBWSBKVSA-N 2 2 368.522 0.167 20 0 FCADLP Cn1cccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275190171 1211194146 /nfs/dbraw/zinc/19/41/46/1211194146.db2.gz CHNPGLAMQOZCHV-LJQANCHMSA-N 2 2 357.458 0.973 20 0 FCADLP Cn1cccc1C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275190171 1211194148 /nfs/dbraw/zinc/19/41/48/1211194148.db2.gz CHNPGLAMQOZCHV-LJQANCHMSA-N 2 2 357.458 0.973 20 0 FCADLP Cn1cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)cn1 ZINC001275302968 1211212819 /nfs/dbraw/zinc/21/28/19/1211212819.db2.gz YIVXHPUAGUMFLD-SFHVURJKSA-N 2 2 358.446 0.368 20 0 FCADLP Cn1cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)cn1 ZINC001275302968 1211212822 /nfs/dbraw/zinc/21/28/22/1211212822.db2.gz YIVXHPUAGUMFLD-SFHVURJKSA-N 2 2 358.446 0.368 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)COCC12CN(CCC[NH+]1CCCCC1)C2 ZINC001275344460 1211218957 /nfs/dbraw/zinc/21/89/57/1211218957.db2.gz ZRJOWHZFDQCEDS-UHFFFAOYSA-N 2 2 361.490 0.709 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383368 1211227926 /nfs/dbraw/zinc/22/79/26/1211227926.db2.gz PFQXKGJBUZMAPT-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383368 1211227927 /nfs/dbraw/zinc/22/79/27/1211227927.db2.gz PFQXKGJBUZMAPT-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383368 1211227929 /nfs/dbraw/zinc/22/79/29/1211227929.db2.gz PFQXKGJBUZMAPT-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4ccon4)C3)C2=O)CC1 ZINC001275383368 1211227930 /nfs/dbraw/zinc/22/79/30/1211227930.db2.gz PFQXKGJBUZMAPT-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392200 1211230160 /nfs/dbraw/zinc/23/01/60/1211230160.db2.gz GWQUTKXXCLGOBT-KBXCAEBGSA-N 2 2 361.446 0.334 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392200 1211230163 /nfs/dbraw/zinc/23/01/63/1211230163.db2.gz GWQUTKXXCLGOBT-KBXCAEBGSA-N 2 2 361.446 0.334 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456207 1211242400 /nfs/dbraw/zinc/24/24/00/1211242400.db2.gz VYASOVUDRDRCLS-LJQANCHMSA-N 2 2 360.458 0.724 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456207 1211242403 /nfs/dbraw/zinc/24/24/03/1211242403.db2.gz VYASOVUDRDRCLS-LJQANCHMSA-N 2 2 360.458 0.724 20 0 FCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@H]2C(=O)NC[C@H]2CCC(=O)N2)CC1 ZINC001275456254 1211242813 /nfs/dbraw/zinc/24/28/13/1211242813.db2.gz YBWWVINQGOVBSP-CABCVRRESA-N 2 2 357.458 0.491 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738410 1211279305 /nfs/dbraw/zinc/27/93/05/1211279305.db2.gz YHSUVDACGMTIRB-LJQANCHMSA-N 3 2 361.490 0.434 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738410 1211279308 /nfs/dbraw/zinc/27/93/08/1211279308.db2.gz YHSUVDACGMTIRB-LJQANCHMSA-N 3 2 361.490 0.434 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275742959 1211280370 /nfs/dbraw/zinc/28/03/70/1211280370.db2.gz JQJIVFQTXULLMK-FHLIZLRMSA-N 2 2 372.460 0.557 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275742959 1211280372 /nfs/dbraw/zinc/28/03/72/1211280372.db2.gz JQJIVFQTXULLMK-FHLIZLRMSA-N 2 2 372.460 0.557 20 0 FCADLP Cn1cncc1CN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833460 1211293650 /nfs/dbraw/zinc/29/36/50/1211293650.db2.gz IARPVRBSPZXKMU-UHFFFAOYSA-N 2 2 361.490 0.565 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CC[N@H+](CC1C(=O)N=CNC1=O)C2 ZINC001275895661 1211308422 /nfs/dbraw/zinc/30/84/22/1211308422.db2.gz NDRUHYBJLVVTEB-QGZVFWFLSA-N 2 2 358.402 0.209 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CC[N@@H+](CC1C(=O)N=CNC1=O)C2 ZINC001275895661 1211308424 /nfs/dbraw/zinc/30/84/24/1211308424.db2.gz NDRUHYBJLVVTEB-QGZVFWFLSA-N 2 2 358.402 0.209 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](CC3C(=O)N=CNC3=O)C2)C1=O ZINC001275899777 1211309097 /nfs/dbraw/zinc/30/90/97/1211309097.db2.gz IZZFWTBOGLNSDH-KRWDZBQOSA-N 2 2 358.402 0.246 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](CC3C(=O)N=CNC3=O)C2)C1=O ZINC001275899777 1211309099 /nfs/dbraw/zinc/30/90/99/1211309099.db2.gz IZZFWTBOGLNSDH-KRWDZBQOSA-N 2 2 358.402 0.246 20 0 FCADLP Cc1ccc2[nH+]cc(CN3CC4(C3)COCC(=O)N4CC[NH+](C)C)n2c1 ZINC001275920939 1211309965 /nfs/dbraw/zinc/30/99/65/1211309965.db2.gz JIYUQBIZJXTPDV-UHFFFAOYSA-N 2 2 357.458 0.618 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3n[nH]c4ccccc43)C2)OCC1=O ZINC001275926980 1211311087 /nfs/dbraw/zinc/31/10/87/1211311087.db2.gz ONZHOIMVKCZEQD-LJQANCHMSA-N 2 2 357.458 0.928 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3n[nH]c4ccccc43)C2)OCC1=O ZINC001275926980 1211311089 /nfs/dbraw/zinc/31/10/89/1211311089.db2.gz ONZHOIMVKCZEQD-LJQANCHMSA-N 2 2 357.458 0.928 20 0 FCADLP O=C(C[NH+]1CCC1)N1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001276186574 1211376980 /nfs/dbraw/zinc/37/69/80/1211376980.db2.gz TWHOXINKIUXKPB-QGZVFWFLSA-N 2 2 360.502 0.627 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252688 1211393897 /nfs/dbraw/zinc/39/38/97/1211393897.db2.gz WJLPDIWOVWQNRI-KBXCAEBGSA-N 2 2 364.446 0.280 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252688 1211393899 /nfs/dbraw/zinc/39/38/99/1211393899.db2.gz WJLPDIWOVWQNRI-KBXCAEBGSA-N 2 2 364.446 0.280 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001095645911 1211434399 /nfs/dbraw/zinc/43/43/99/1211434399.db2.gz LJASROBXGSQJMX-LMSBXDPUSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001095645911 1211434402 /nfs/dbraw/zinc/43/44/02/1211434402.db2.gz LJASROBXGSQJMX-LMSBXDPUSA-N 2 2 371.485 0.789 20 0 FCADLP CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000925395841 1211497852 /nfs/dbraw/zinc/49/78/52/1211497852.db2.gz IEPKGOLPDXZFJT-WMLDXEAASA-N 2 2 374.489 0.396 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000925588078 1211502931 /nfs/dbraw/zinc/50/29/31/1211502931.db2.gz SNZOIIHLBLBOQL-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000925588078 1211502934 /nfs/dbraw/zinc/50/29/34/1211502934.db2.gz SNZOIIHLBLBOQL-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221311677 1225293751 /nfs/dbraw/zinc/29/37/51/1225293751.db2.gz GKDBWJRECZPZTQ-XIKOKIGWSA-N 2 2 356.382 0.638 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975773 1211511914 /nfs/dbraw/zinc/51/19/14/1211511914.db2.gz IOHLNFSFVAKBOJ-DLBZAZTESA-N 2 2 365.522 0.807 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975773 1211511917 /nfs/dbraw/zinc/51/19/17/1211511917.db2.gz IOHLNFSFVAKBOJ-DLBZAZTESA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636855 1211577934 /nfs/dbraw/zinc/57/79/34/1211577934.db2.gz LCYAKPBQBKAESP-NXHRZFHOSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927636855 1211577937 /nfs/dbraw/zinc/57/79/37/1211577937.db2.gz LCYAKPBQBKAESP-NXHRZFHOSA-N 2 2 366.506 0.744 20 0 FCADLP COc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C)c(C(=O)NC[C@@H]2CC[NH+]2C)c1 ZINC000928570576 1211605379 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/nfs/dbraw/zinc/69/41/25/1211694125.db2.gz WJRGVYBJNJOYSJ-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1ncccc1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000930171871 1211694128 /nfs/dbraw/zinc/69/41/28/1211694128.db2.gz WJRGVYBJNJOYSJ-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000931484480 1211757554 /nfs/dbraw/zinc/75/75/54/1211757554.db2.gz TXAOAWMKPJWOFH-UHFFFAOYSA-N 2 2 374.485 0.906 20 0 FCADLP CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931485019 1211757716 /nfs/dbraw/zinc/75/77/16/1211757716.db2.gz UTRGCTHUDWDLHU-UHFFFAOYSA-N 2 2 362.474 0.763 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020732 1211785828 /nfs/dbraw/zinc/78/58/28/1211785828.db2.gz IDELIMBTBABFMJ-HPBDAGMYSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020732 1211785830 /nfs/dbraw/zinc/78/58/30/1211785830.db2.gz IDELIMBTBABFMJ-HPBDAGMYSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020732 1211785833 /nfs/dbraw/zinc/78/58/33/1211785833.db2.gz IDELIMBTBABFMJ-HPBDAGMYSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020732 1211785837 /nfs/dbraw/zinc/78/58/37/1211785837.db2.gz IDELIMBTBABFMJ-HPBDAGMYSA-N 2 2 362.518 0.918 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)C1 ZINC001111025195 1211800449 /nfs/dbraw/zinc/80/04/49/1211800449.db2.gz QSCHLBMDYLBLAZ-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCNC(=O)C2CC2)C1 ZINC001111025195 1211800450 /nfs/dbraw/zinc/80/04/50/1211800450.db2.gz QSCHLBMDYLBLAZ-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)C1 ZINC001111025195 1211800451 /nfs/dbraw/zinc/80/04/51/1211800451.db2.gz QSCHLBMDYLBLAZ-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)C1 ZINC001111025195 1211800452 /nfs/dbraw/zinc/80/04/52/1211800452.db2.gz QSCHLBMDYLBLAZ-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC000932804667 1211822749 /nfs/dbraw/zinc/82/27/49/1211822749.db2.gz CVIIJEKAHBWORT-UHFFFAOYSA-N 2 2 358.446 0.972 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152158 1211901953 /nfs/dbraw/zinc/90/19/53/1211901953.db2.gz QFQWYCACHNNYAE-LHHMISFZSA-N 2 2 359.474 0.981 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152158 1211901955 /nfs/dbraw/zinc/90/19/55/1211901955.db2.gz QFQWYCACHNNYAE-LHHMISFZSA-N 2 2 359.474 0.981 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001095767633 1211979283 /nfs/dbraw/zinc/97/92/83/1211979283.db2.gz 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XCLOJNPOKYBJGE-KCMWZYNZSA-N 2 2 371.485 0.714 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000947972805 1212107188 /nfs/dbraw/zinc/10/71/88/1212107188.db2.gz YODNWEIWLDBNHH-WQVCFCJDSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000947972805 1212107190 /nfs/dbraw/zinc/10/71/90/1212107190.db2.gz YODNWEIWLDBNHH-WQVCFCJDSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000948385026 1212165034 /nfs/dbraw/zinc/16/50/34/1212165034.db2.gz HJTSAMHFCNZKSH-RBSFLKMASA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000948385026 1212165040 /nfs/dbraw/zinc/16/50/40/1212165040.db2.gz HJTSAMHFCNZKSH-RBSFLKMASA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC000948385026 1212165045 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FCADLP CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC001000838118 1216119483 /nfs/dbraw/zinc/11/94/83/1216119483.db2.gz STSAQRPNEATEIO-HYVNUMGLSA-N 2 2 364.490 0.075 20 0 FCADLP CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001000838118 1216119485 /nfs/dbraw/zinc/11/94/85/1216119485.db2.gz STSAQRPNEATEIO-HYVNUMGLSA-N 2 2 364.490 0.075 20 0 FCADLP CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001000838118 1216119486 /nfs/dbraw/zinc/11/94/86/1216119486.db2.gz STSAQRPNEATEIO-HYVNUMGLSA-N 2 2 364.490 0.075 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O)OC ZINC001276843697 1225662457 /nfs/dbraw/zinc/66/24/57/1225662457.db2.gz SIIJETRUCRXWKF-SFHVURJKSA-N 2 2 364.446 0.987 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O)OC ZINC001276843697 1225662459 /nfs/dbraw/zinc/66/24/59/1225662459.db2.gz SIIJETRUCRXWKF-SFHVURJKSA-N 2 2 364.446 0.987 20 0 FCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843390 1225662541 /nfs/dbraw/zinc/66/25/41/1225662541.db2.gz FYRMIJVGYZCGRN-KBXCAEBGSA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843390 1225662546 /nfs/dbraw/zinc/66/25/46/1225662546.db2.gz FYRMIJVGYZCGRN-KBXCAEBGSA-N 2 2 362.430 0.676 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891586 1225663118 /nfs/dbraw/zinc/66/31/18/1225663118.db2.gz FLOSUHVOVNZGEK-OAGGEKHMSA-N 2 2 359.474 0.819 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891586 1225663124 /nfs/dbraw/zinc/66/31/24/1225663124.db2.gz FLOSUHVOVNZGEK-OAGGEKHMSA-N 2 2 359.474 0.819 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnn(C)n2)CC3)CC[N@@H+]1C ZINC001050523470 1216329886 /nfs/dbraw/zinc/32/98/86/1216329886.db2.gz DTSRCRZZPGMJBD-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2cnn(C)n2)CC3)CC[N@H+]1C ZINC001050523470 1216329892 /nfs/dbraw/zinc/32/98/92/1216329892.db2.gz DTSRCRZZPGMJBD-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC001050553213 1216334280 /nfs/dbraw/zinc/33/42/80/1216334280.db2.gz XRLZCOXUJNJAHC-IIAWOOMASA-N 2 2 357.458 0.716 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2 ZINC001050669768 1216346927 /nfs/dbraw/zinc/34/69/27/1216346927.db2.gz ODTNMIYEIWAIHW-RBSFLKMASA-N 2 2 357.458 0.337 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959268 1225670178 /nfs/dbraw/zinc/67/01/78/1225670178.db2.gz SXXNXJJGRMYJCI-WCXIOVBPSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959268 1225670181 /nfs/dbraw/zinc/67/01/81/1225670181.db2.gz SXXNXJJGRMYJCI-WCXIOVBPSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959268 1225670184 /nfs/dbraw/zinc/67/01/84/1225670184.db2.gz SXXNXJJGRMYJCI-WCXIOVBPSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(Cc4ccon4)CC3)C2)CC[N@@H+]1C ZINC001052030678 1216490132 /nfs/dbraw/zinc/49/01/32/1216490132.db2.gz UFFLMBOPGULYDI-KBAYOESNSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(Cc4ccon4)CC3)C2)CC[N@H+]1C ZINC001052030678 1216490139 /nfs/dbraw/zinc/49/01/39/1216490139.db2.gz UFFLMBOPGULYDI-KBAYOESNSA-N 2 2 361.490 0.733 20 0 FCADLP CC(C)=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043203 1216490904 /nfs/dbraw/zinc/49/09/04/1216490904.db2.gz REMQDFRUFOVZKY-GUDVDZBRSA-N 2 2 364.534 0.890 20 0 FCADLP CC(C)=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043203 1216490911 /nfs/dbraw/zinc/49/09/11/1216490911.db2.gz REMQDFRUFOVZKY-GUDVDZBRSA-N 2 2 364.534 0.890 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1)[NH+](C)C ZINC001052401804 1216550338 /nfs/dbraw/zinc/55/03/38/1216550338.db2.gz ONRWDJNCRXQFQH-WTANOLMUSA-N 2 2 371.489 0.988 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](Cc3cccc(=O)n3C)C2)C1=O ZINC001276868739 1225686409 /nfs/dbraw/zinc/68/64/09/1225686409.db2.gz RHSQJELFNGWVSA-LJQANCHMSA-N 2 2 355.442 0.743 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](Cc3cccc(=O)n3C)C2)C1=O ZINC001276868739 1225686412 /nfs/dbraw/zinc/68/64/12/1225686412.db2.gz RHSQJELFNGWVSA-LJQANCHMSA-N 2 2 355.442 0.743 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]3n3ccnn3)ccn12 ZINC001069927123 1216848117 /nfs/dbraw/zinc/84/81/17/1216848117.db2.gz KSSWGJIAKKAECO-IMJJTQAJSA-N 2 2 369.429 0.270 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]3n3ccnn3)ccn12 ZINC001069927123 1216848121 /nfs/dbraw/zinc/84/81/21/1216848121.db2.gz KSSWGJIAKKAECO-IMJJTQAJSA-N 2 2 369.429 0.270 20 0 FCADLP CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930525 1216850410 /nfs/dbraw/zinc/85/04/10/1216850410.db2.gz ORMJMLSQOYVTJC-PMPSAXMXSA-N 2 2 358.450 0.443 20 0 FCADLP CC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930525 1216850411 /nfs/dbraw/zinc/85/04/11/1216850411.db2.gz ORMJMLSQOYVTJC-PMPSAXMXSA-N 2 2 358.450 0.443 20 0 FCADLP CC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930525 1216850416 /nfs/dbraw/zinc/85/04/16/1216850416.db2.gz ORMJMLSQOYVTJC-PMPSAXMXSA-N 2 2 358.450 0.443 20 0 FCADLP CC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930525 1216850417 /nfs/dbraw/zinc/85/04/17/1216850417.db2.gz ORMJMLSQOYVTJC-PMPSAXMXSA-N 2 2 358.450 0.443 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964204 1216870980 /nfs/dbraw/zinc/87/09/80/1216870980.db2.gz ZXGLJEOJQFTBGX-XYPHTWIQSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964204 1216870984 /nfs/dbraw/zinc/87/09/84/1216870984.db2.gz ZXGLJEOJQFTBGX-XYPHTWIQSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964204 1216870987 /nfs/dbraw/zinc/87/09/87/1216870987.db2.gz ZXGLJEOJQFTBGX-XYPHTWIQSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964204 1216870988 /nfs/dbraw/zinc/87/09/88/1216870988.db2.gz ZXGLJEOJQFTBGX-XYPHTWIQSA-N 2 2 357.462 0.866 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969460 1216875766 /nfs/dbraw/zinc/87/57/66/1216875766.db2.gz XFRVMJYDIIHLCT-XHSDSOJGSA-N 2 2 364.469 0.996 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969460 1216875770 /nfs/dbraw/zinc/87/57/70/1216875770.db2.gz XFRVMJYDIIHLCT-XHSDSOJGSA-N 2 2 364.469 0.996 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970502 1216876299 /nfs/dbraw/zinc/87/62/99/1216876299.db2.gz IZIFIHWTZBETTN-XKQJLSEDSA-N 2 2 369.429 0.616 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970502 1216876303 /nfs/dbraw/zinc/87/63/03/1216876303.db2.gz IZIFIHWTZBETTN-XKQJLSEDSA-N 2 2 369.429 0.616 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028813 1216907815 /nfs/dbraw/zinc/90/78/15/1216907815.db2.gz FQRWVKMDBOJHLM-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028813 1216907822 /nfs/dbraw/zinc/90/78/22/1216907822.db2.gz FQRWVKMDBOJHLM-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028813 1216907827 /nfs/dbraw/zinc/90/78/27/1216907827.db2.gz FQRWVKMDBOJHLM-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028813 1216907834 /nfs/dbraw/zinc/90/78/34/1216907834.db2.gz FQRWVKMDBOJHLM-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP CCCCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223570376 1225716949 /nfs/dbraw/zinc/71/69/49/1225716949.db2.gz MZYLDMLIVNCWDA-NVXWUHKLSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570376 1225716953 /nfs/dbraw/zinc/71/69/53/1225716953.db2.gz MZYLDMLIVNCWDA-NVXWUHKLSA-N 2 2 368.522 0.450 20 0 FCADLP CC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276901365 1225716970 /nfs/dbraw/zinc/71/69/70/1225716970.db2.gz PTXCROIWSGKGFZ-SJLPKXTDSA-N 2 2 364.534 0.820 20 0 FCADLP CC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276901365 1225716973 /nfs/dbraw/zinc/71/69/73/1225716973.db2.gz PTXCROIWSGKGFZ-SJLPKXTDSA-N 2 2 364.534 0.820 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)nc(C2CC2)[nH+]1 ZINC001041344511 1217289224 /nfs/dbraw/zinc/28/92/24/1217289224.db2.gz WDHYLEYIJLZMJI-FVQBIDKESA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nc(C2CC2)[nH+]1 ZINC001041344511 1217289231 /nfs/dbraw/zinc/28/92/31/1217289231.db2.gz WDHYLEYIJLZMJI-FVQBIDKESA-N 2 2 359.474 0.812 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@H]1O ZINC001041403459 1217313771 /nfs/dbraw/zinc/31/37/71/1217313771.db2.gz MAZYFBCJZIJJBV-BZUAXINKSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@H]1O ZINC001041403459 1217313779 /nfs/dbraw/zinc/31/37/79/1217313779.db2.gz MAZYFBCJZIJJBV-BZUAXINKSA-N 2 2 361.490 0.888 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001042236387 1217399911 /nfs/dbraw/zinc/39/99/11/1217399911.db2.gz KVZCBMFQQNLJCF-DAXOMENPSA-N 2 2 369.473 0.646 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223977467 1225750842 /nfs/dbraw/zinc/75/08/42/1225750842.db2.gz CRFNXEITXIOIQX-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223977467 1225750845 /nfs/dbraw/zinc/75/08/45/1225750845.db2.gz CRFNXEITXIOIQX-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223977467 1225750852 /nfs/dbraw/zinc/75/08/52/1225750852.db2.gz CRFNXEITXIOIQX-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223977467 1225750861 /nfs/dbraw/zinc/75/08/61/1225750861.db2.gz CRFNXEITXIOIQX-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223985088 1225750966 /nfs/dbraw/zinc/75/09/66/1225750966.db2.gz QILWUCLPAWJWDX-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223985088 1225750971 /nfs/dbraw/zinc/75/09/71/1225750971.db2.gz QILWUCLPAWJWDX-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223985088 1225750974 /nfs/dbraw/zinc/75/09/74/1225750974.db2.gz QILWUCLPAWJWDX-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223985088 1225750979 /nfs/dbraw/zinc/75/09/79/1225750979.db2.gz QILWUCLPAWJWDX-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001043204428 1217589696 /nfs/dbraw/zinc/58/96/96/1217589696.db2.gz BEGQXVBKUCVWJC-CKEIUWERSA-N 2 2 358.490 0.675 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001043204428 1217589700 /nfs/dbraw/zinc/58/97/00/1217589700.db2.gz BEGQXVBKUCVWJC-CKEIUWERSA-N 2 2 358.490 0.675 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043204428 1217589708 /nfs/dbraw/zinc/58/97/08/1217589708.db2.gz BEGQXVBKUCVWJC-CKEIUWERSA-N 2 2 358.490 0.675 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043204428 1217589714 /nfs/dbraw/zinc/58/97/14/1217589714.db2.gz BEGQXVBKUCVWJC-CKEIUWERSA-N 2 2 358.490 0.675 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044685066 1217870491 /nfs/dbraw/zinc/87/04/91/1217870491.db2.gz PKTSDKOHCUYDKL-MIGQKNRLSA-N 2 2 359.474 0.668 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044685066 1217870493 /nfs/dbraw/zinc/87/04/93/1217870493.db2.gz PKTSDKOHCUYDKL-MIGQKNRLSA-N 2 2 359.474 0.668 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@@H]1O ZINC001044703683 1217872572 /nfs/dbraw/zinc/87/25/72/1217872572.db2.gz MAZYFBCJZIJJBV-PMPSAXMXSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@@H]1O ZINC001044703683 1217872573 /nfs/dbraw/zinc/87/25/73/1217872573.db2.gz MAZYFBCJZIJJBV-PMPSAXMXSA-N 2 2 361.490 0.888 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N1CCC1)C2 ZINC001096010381 1217909716 /nfs/dbraw/zinc/90/97/16/1217909716.db2.gz DLZSWZNVRXLBOD-LMSBXDPUSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N1CCC1)C2 ZINC001096010381 1217909722 /nfs/dbraw/zinc/90/97/22/1217909722.db2.gz DLZSWZNVRXLBOD-LMSBXDPUSA-N 2 2 371.485 0.708 20 0 FCADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199085 1217970322 /nfs/dbraw/zinc/97/03/22/1217970322.db2.gz OYMYDGXABVOLIO-POAQFYNOSA-N 2 2 360.502 0.768 20 0 FCADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199085 1217970327 /nfs/dbraw/zinc/97/03/27/1217970327.db2.gz OYMYDGXABVOLIO-POAQFYNOSA-N 2 2 360.502 0.768 20 0 FCADLP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000900800075 1218038493 /nfs/dbraw/zinc/03/84/93/1218038493.db2.gz BBRPYOCJVNGTAH-DOTOQJQBSA-N 2 2 360.506 0.198 20 0 FCADLP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900800075 1218038501 /nfs/dbraw/zinc/03/85/01/1218038501.db2.gz BBRPYOCJVNGTAH-DOTOQJQBSA-N 2 2 360.506 0.198 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900808769 1218040072 /nfs/dbraw/zinc/04/00/72/1218040072.db2.gz WUZKFIJANJWLGX-ZWKOTPCHSA-N 2 2 374.533 0.344 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000900808769 1218040076 /nfs/dbraw/zinc/04/00/76/1218040076.db2.gz WUZKFIJANJWLGX-ZWKOTPCHSA-N 2 2 374.533 0.344 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C3CC[NH+](CC(N)=O)CC3)C2)O1 ZINC001047245236 1218125087 /nfs/dbraw/zinc/12/50/87/1218125087.db2.gz XWVFILKKOYTFQW-HYVNUMGLSA-N 2 2 366.506 0.141 20 0 FCADLP 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CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047385855 1218137052 /nfs/dbraw/zinc/13/70/52/1218137052.db2.gz FKYAQYNEFNTRPV-MHORFTMASA-N 2 2 364.465 0.955 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047385855 1218137054 /nfs/dbraw/zinc/13/70/54/1218137054.db2.gz FKYAQYNEFNTRPV-MHORFTMASA-N 2 2 364.465 0.955 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047426227 1218141814 /nfs/dbraw/zinc/14/18/14/1218141814.db2.gz GNARYEUQYTWXJB-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047426227 1218141820 /nfs/dbraw/zinc/14/18/20/1218141820.db2.gz GNARYEUQYTWXJB-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047426227 1218141823 /nfs/dbraw/zinc/14/18/23/1218141823.db2.gz GNARYEUQYTWXJB-LAVFITLUSA-N 2 2 362.474 0.113 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/nfs/dbraw/zinc/33/29/39/1218332939.db2.gz PMDNZEDMGVIGMQ-YYIAUSFCSA-N 2 2 367.453 0.802 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)cc1=O ZINC001048873546 1218332943 /nfs/dbraw/zinc/33/29/43/1218332943.db2.gz PMDNZEDMGVIGMQ-YYIAUSFCSA-N 2 2 367.453 0.802 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001096435000 1218333130 /nfs/dbraw/zinc/33/31/30/1218333130.db2.gz RUKHQHANVZCTQM-FSDCSDTHSA-N 2 2 359.474 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001096435000 1218333139 /nfs/dbraw/zinc/33/31/39/1218333139.db2.gz RUKHQHANVZCTQM-FSDCSDTHSA-N 2 2 359.474 0.898 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000803176101 1218360016 /nfs/dbraw/zinc/36/00/16/1218360016.db2.gz MEWIQLSEDGZAMY-OAHLLOKOSA-N 2 2 353.426 0.841 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000803176101 1218360023 /nfs/dbraw/zinc/36/00/23/1218360023.db2.gz MEWIQLSEDGZAMY-OAHLLOKOSA-N 2 2 353.426 0.841 20 0 FCADLP Cn1nncc1C[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277072032 1225823288 /nfs/dbraw/zinc/82/32/88/1225823288.db2.gz IVWBRBUNXMXGFG-SFHVURJKSA-N 2 2 357.462 0.916 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903782924 1218525119 /nfs/dbraw/zinc/52/51/19/1218525119.db2.gz UICVIJXZMYCWJZ-QGZVFWFLSA-N 3 2 364.534 0.951 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC001049735330 1218540313 /nfs/dbraw/zinc/54/03/13/1218540313.db2.gz HWAZCWQPLYORIZ-NCOADZHNSA-N 2 2 369.473 0.881 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC001049735330 1218540323 /nfs/dbraw/zinc/54/03/23/1218540323.db2.gz HWAZCWQPLYORIZ-NCOADZHNSA-N 2 2 369.473 0.881 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCC1 ZINC001049735805 1218540415 /nfs/dbraw/zinc/54/04/15/1218540415.db2.gz JVEZMZZGFFZHJV-VQHPVUNQSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049735805 1218540424 /nfs/dbraw/zinc/54/04/24/1218540424.db2.gz JVEZMZZGFFZHJV-VQHPVUNQSA-N 2 2 371.485 0.821 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739430 1218543539 /nfs/dbraw/zinc/54/35/39/1218543539.db2.gz YXJJZBFOJHINPM-WCVJEAGWSA-N 2 2 359.474 0.677 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739430 1218543544 /nfs/dbraw/zinc/54/35/44/1218543544.db2.gz YXJJZBFOJHINPM-WCVJEAGWSA-N 2 2 359.474 0.677 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001096841363 1218625355 /nfs/dbraw/zinc/62/53/55/1218625355.db2.gz FXNPSPCOVZDVRW-DFBGVHRSSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001096841363 1218625356 /nfs/dbraw/zinc/62/53/56/1218625356.db2.gz FXNPSPCOVZDVRW-DFBGVHRSSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)ncn1 ZINC001097322971 1218776511 /nfs/dbraw/zinc/77/65/11/1218776511.db2.gz MSGBZJQKKSLWOI-FXXCCUJSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C3)ncn1 ZINC001097322971 1218776522 /nfs/dbraw/zinc/77/65/22/1218776522.db2.gz MSGBZJQKKSLWOI-FXXCCUJSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C3)ncn1 ZINC001097322971 1218776531 /nfs/dbraw/zinc/77/65/31/1218776531.db2.gz MSGBZJQKKSLWOI-FXXCCUJSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C3)ncn1 ZINC001097322971 1218776536 /nfs/dbraw/zinc/77/65/36/1218776536.db2.gz MSGBZJQKKSLWOI-FXXCCUJSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1nccnc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001097323374 1218776878 /nfs/dbraw/zinc/77/68/78/1218776878.db2.gz BLEVGHHVVGMTED-FIFHEGHSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1nccnc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001097323374 1218776883 /nfs/dbraw/zinc/77/68/83/1218776883.db2.gz BLEVGHHVVGMTED-FIFHEGHSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323374 1218776892 /nfs/dbraw/zinc/77/68/92/1218776892.db2.gz BLEVGHHVVGMTED-FIFHEGHSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323374 1218776898 /nfs/dbraw/zinc/77/68/98/1218776898.db2.gz BLEVGHHVVGMTED-FIFHEGHSSA-N 2 2 359.474 0.726 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001097363327 1218798807 /nfs/dbraw/zinc/79/88/07/1218798807.db2.gz MHNILTQBAVZQPP-ABFRBSLYSA-N 2 2 372.473 0.192 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001097363327 1218798814 /nfs/dbraw/zinc/79/88/14/1218798814.db2.gz MHNILTQBAVZQPP-ABFRBSLYSA-N 2 2 372.473 0.192 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001226565310 1225846899 /nfs/dbraw/zinc/84/68/99/1225846899.db2.gz ZYMMTLJYRILJSI-BFHYXJOUSA-N 2 2 370.473 0.305 20 0 FCADLP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001097430020 1218807907 /nfs/dbraw/zinc/80/79/07/1218807907.db2.gz DQSSPZVMQGXNTP-ZACQAIPSSA-N 2 2 360.502 0.957 20 0 FCADLP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2)C1CC1 ZINC001097430020 1218807909 /nfs/dbraw/zinc/80/79/09/1218807909.db2.gz DQSSPZVMQGXNTP-ZACQAIPSSA-N 2 2 360.502 0.957 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2)NC1CC1 ZINC001097579879 1218824312 /nfs/dbraw/zinc/82/43/12/1218824312.db2.gz JHIOIIRXTVBVQX-VXIBKDFQSA-N 2 2 360.502 0.861 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2)NC1CC1 ZINC001097579879 1218824314 /nfs/dbraw/zinc/82/43/14/1218824314.db2.gz JHIOIIRXTVBVQX-VXIBKDFQSA-N 2 2 360.502 0.861 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001097734469 1218841700 /nfs/dbraw/zinc/84/17/00/1218841700.db2.gz MZBOJHDOTDQFJF-APIJFGDWSA-N 2 2 374.441 0.482 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001097734469 1218841701 /nfs/dbraw/zinc/84/17/01/1218841701.db2.gz MZBOJHDOTDQFJF-APIJFGDWSA-N 2 2 374.441 0.482 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001052724471 1218860449 /nfs/dbraw/zinc/86/04/49/1218860449.db2.gz BLDSAQSCYONIGV-ARFHVFGLSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052724471 1218860450 /nfs/dbraw/zinc/86/04/50/1218860450.db2.gz BLDSAQSCYONIGV-ARFHVFGLSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1ncccn1 ZINC001052736562 1218861940 /nfs/dbraw/zinc/86/19/40/1218861940.db2.gz LVGVWJYPCVGUMV-HUUCEWRRSA-N 2 2 355.446 0.712 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001053653715 1218889515 /nfs/dbraw/zinc/88/95/15/1218889515.db2.gz VTFYWDGPYKBPPI-NFAWXSAZSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001053653715 1218889517 /nfs/dbraw/zinc/88/95/17/1218889517.db2.gz VTFYWDGPYKBPPI-NFAWXSAZSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@@H+]1C ZINC001054134491 1218899171 /nfs/dbraw/zinc/89/91/71/1218899171.db2.gz FRLDHKDKPRUOCC-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@H+]1C ZINC001054134491 1218899172 /nfs/dbraw/zinc/89/91/72/1218899172.db2.gz FRLDHKDKPRUOCC-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001054134491 1218899174 /nfs/dbraw/zinc/89/91/74/1218899174.db2.gz FRLDHKDKPRUOCC-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001054134491 1218899176 /nfs/dbraw/zinc/89/91/76/1218899176.db2.gz FRLDHKDKPRUOCC-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1 ZINC001226781972 1225854154 /nfs/dbraw/zinc/85/41/54/1225854154.db2.gz GMYSJTNXDFWNPI-BRWVUGGUSA-N 2 2 371.489 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001054407264 1218918339 /nfs/dbraw/zinc/91/83/39/1218918339.db2.gz GEBNIPJAJNZVBU-ZIAGYGMSSA-N 2 2 357.462 0.966 20 0 FCADLP COc1ncc(F)cc1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001277166390 1225858263 /nfs/dbraw/zinc/85/82/63/1225858263.db2.gz UWKVXRZBVSWSKZ-GOSISDBHSA-N 2 2 366.437 0.594 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[NH+](C)CC2 ZINC001055295059 1219023704 /nfs/dbraw/zinc/02/37/04/1219023704.db2.gz SUDUCXWECCALER-NKGKWGDASA-N 2 2 370.501 0.785 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[NH+](C)CC2 ZINC001055295059 1219023706 /nfs/dbraw/zinc/02/37/06/1219023706.db2.gz SUDUCXWECCALER-NKGKWGDASA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@H+](C)CC2 ZINC001055295059 1219023708 /nfs/dbraw/zinc/02/37/08/1219023708.db2.gz SUDUCXWECCALER-NKGKWGDASA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@@H+](C)CC2 ZINC001055295059 1219023711 /nfs/dbraw/zinc/02/37/11/1219023711.db2.gz SUDUCXWECCALER-NKGKWGDASA-N 2 2 370.501 0.785 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227175843 1225865453 /nfs/dbraw/zinc/86/54/53/1225865453.db2.gz ODVBKCHQFYSHOL-ARFHVFGLSA-N 2 2 361.490 0.989 20 0 FCADLP CC[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055525717 1219067628 /nfs/dbraw/zinc/06/76/28/1219067628.db2.gz IIAYVMZOLIZKBT-ZMSDIMECSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055525717 1219067633 /nfs/dbraw/zinc/06/76/33/1219067633.db2.gz IIAYVMZOLIZKBT-ZMSDIMECSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055594768 1219093873 /nfs/dbraw/zinc/09/38/73/1219093873.db2.gz LAKBBMHIBISUOT-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055594768 1219093879 /nfs/dbraw/zinc/09/38/79/1219093879.db2.gz LAKBBMHIBISUOT-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055595566 1219095087 /nfs/dbraw/zinc/09/50/87/1219095087.db2.gz ZHLQXMFODCTJAU-ZMSDIMECSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055595566 1219095094 /nfs/dbraw/zinc/09/50/94/1219095094.db2.gz ZHLQXMFODCTJAU-ZMSDIMECSA-N 2 2 368.522 0.448 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000804063062 1219118017 /nfs/dbraw/zinc/11/80/17/1219118017.db2.gz OYDZZFFWXHTOQS-ARFHVFGLSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000804063062 1219118019 /nfs/dbraw/zinc/11/80/19/1219118019.db2.gz OYDZZFFWXHTOQS-ARFHVFGLSA-N 2 2 361.446 0.026 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113274 1219119494 /nfs/dbraw/zinc/11/94/94/1219119494.db2.gz PJUPXDRWOYSFCQ-DXEWXGHRSA-N 2 2 368.441 0.737 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113274 1219119495 /nfs/dbraw/zinc/11/94/95/1219119495.db2.gz PJUPXDRWOYSFCQ-DXEWXGHRSA-N 2 2 368.441 0.737 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1)OC ZINC001070076802 1219144065 /nfs/dbraw/zinc/14/40/65/1219144065.db2.gz UYMFJMDXCRXVCU-OAGGEKHMSA-N 2 2 361.450 0.021 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1)OC ZINC001070076802 1219144071 /nfs/dbraw/zinc/14/40/71/1219144071.db2.gz UYMFJMDXCRXVCU-OAGGEKHMSA-N 2 2 361.450 0.021 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070077865 1219147394 /nfs/dbraw/zinc/14/73/94/1219147394.db2.gz NSOTXQWBMHYMBR-ZBFHGGJFSA-N 2 2 359.434 0.041 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070077865 1219147401 /nfs/dbraw/zinc/14/74/01/1219147401.db2.gz NSOTXQWBMHYMBR-ZBFHGGJFSA-N 2 2 359.434 0.041 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070096382 1219167288 /nfs/dbraw/zinc/16/72/88/1219167288.db2.gz WWGLYQAJXGCPGX-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070096382 1219167301 /nfs/dbraw/zinc/16/73/01/1219167301.db2.gz WWGLYQAJXGCPGX-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cc3[nH]cc[nH+]3)CCOCC2)CC[N@@H+]1C ZINC001070132775 1219207506 /nfs/dbraw/zinc/20/75/06/1219207506.db2.gz RTZLGTHNQYBIJQ-ZIAGYGMSSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cc3[nH]cc[nH+]3)CCOCC2)CC[N@H+]1C ZINC001070132775 1219207510 /nfs/dbraw/zinc/20/75/10/1219207510.db2.gz RTZLGTHNQYBIJQ-ZIAGYGMSSA-N 2 2 363.462 0.074 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158621 1219245854 /nfs/dbraw/zinc/24/58/54/1219245854.db2.gz SFSBZOFJUNDLSX-KFWWJZLASA-N 2 2 359.434 0.210 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158621 1219245858 /nfs/dbraw/zinc/24/58/58/1219245858.db2.gz SFSBZOFJUNDLSX-KFWWJZLASA-N 2 2 359.434 0.210 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220190 1219302591 /nfs/dbraw/zinc/30/25/91/1219302591.db2.gz BZTPYOYPTRAPTA-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220919 1219303106 /nfs/dbraw/zinc/30/31/06/1219303106.db2.gz SWFUGMJFTZEZNY-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)C2 ZINC001070222322 1219303349 /nfs/dbraw/zinc/30/33/49/1219303349.db2.gz JHJMPPUTCAMPCI-QGTPRVQTSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)CC2 ZINC001070222322 1219303353 /nfs/dbraw/zinc/30/33/53/1219303353.db2.gz JHJMPPUTCAMPCI-QGTPRVQTSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2n2ccnn2)on1 ZINC001070234913 1219311194 /nfs/dbraw/zinc/31/11/94/1219311194.db2.gz NWKIBJRUPARLJA-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070302296 1219360417 /nfs/dbraw/zinc/36/04/17/1219360417.db2.gz JUSWFLSAZBNMRT-CVEARBPZSA-N 2 2 370.392 0.484 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070303426 1219362218 /nfs/dbraw/zinc/36/22/18/1219362218.db2.gz WNMXJRPKOYFSKY-KFWWJZLASA-N 2 2 359.434 0.012 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1n1ccnn1 ZINC001070310065 1219367660 /nfs/dbraw/zinc/36/76/60/1219367660.db2.gz MGZGKYGHSCWXNS-SJORKVTESA-N 2 2 366.429 0.924 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327135 1219377271 /nfs/dbraw/zinc/37/72/71/1219377271.db2.gz UDDOYLZTHOQYDZ-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327135 1219377274 /nfs/dbraw/zinc/37/72/74/1219377274.db2.gz UDDOYLZTHOQYDZ-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334519 1219383793 /nfs/dbraw/zinc/38/37/93/1219383793.db2.gz CUDPDFCEDVADRJ-IXDOHACOSA-N 2 2 357.462 0.728 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070380635 1219405880 /nfs/dbraw/zinc/40/58/80/1219405880.db2.gz RCTMTSFGRYUEDJ-APWZRJJASA-N 2 2 359.474 0.838 20 0 FCADLP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001070380539 1219406151 /nfs/dbraw/zinc/40/61/51/1219406151.db2.gz LNTAQXUELVXYLF-KDOFPFPSSA-N 2 2 363.462 0.074 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070380687 1219406526 /nfs/dbraw/zinc/40/65/26/1219406526.db2.gz UVKYZUPUYZNWIC-QAPCUYQASA-N 2 2 365.453 0.787 20 0 FCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070449640 1219413396 /nfs/dbraw/zinc/41/33/96/1219413396.db2.gz UPMUYFXBWZFQSS-KFWWJZLASA-N 2 2 369.473 0.898 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]C[C@H]2CCOC2)c1 ZINC001070549992 1219465022 /nfs/dbraw/zinc/46/50/22/1219465022.db2.gz XJEPNVWXAHFWPX-IJEWVQPXSA-N 2 2 358.446 0.306 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001070691943 1219527449 /nfs/dbraw/zinc/52/74/49/1219527449.db2.gz SUVBGPCANFHWGU-KFWWJZLASA-N 2 2 361.450 0.228 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070694766 1219529126 /nfs/dbraw/zinc/52/91/26/1219529126.db2.gz AHDYKJZNKWBJSY-HZPDHXFCSA-N 2 2 368.445 0.167 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911487 1219563180 /nfs/dbraw/zinc/56/31/80/1219563180.db2.gz BAZMCOBEWJJARM-KFWWJZLASA-N 2 2 361.446 0.857 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911487 1219563182 /nfs/dbraw/zinc/56/31/82/1219563182.db2.gz BAZMCOBEWJJARM-KFWWJZLASA-N 2 2 361.446 0.857 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001070920762 1219575907 /nfs/dbraw/zinc/57/59/07/1219575907.db2.gz CRLIDLXRFWROCP-ZNMIVQPWSA-N 2 2 361.446 0.714 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001070920762 1219575910 /nfs/dbraw/zinc/57/59/10/1219575910.db2.gz CRLIDLXRFWROCP-ZNMIVQPWSA-N 2 2 361.446 0.714 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922976 1219579911 /nfs/dbraw/zinc/57/99/11/1219579911.db2.gz QLAFOKUYBLRLQI-BMFZPTHFSA-N 2 2 361.446 0.477 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922976 1219579914 /nfs/dbraw/zinc/57/99/14/1219579914.db2.gz QLAFOKUYBLRLQI-BMFZPTHFSA-N 2 2 361.446 0.477 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071065377 1219598724 /nfs/dbraw/zinc/59/87/24/1219598724.db2.gz PTPNHRLBLRINCF-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071065938 1219598763 /nfs/dbraw/zinc/59/87/63/1219598763.db2.gz AUTITPBDCKLOME-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071362348 1219614723 /nfs/dbraw/zinc/61/47/23/1219614723.db2.gz KDLCLWMWXYVGNS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071362348 1219614725 /nfs/dbraw/zinc/61/47/25/1219614725.db2.gz KDLCLWMWXYVGNS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2cncn2C)O1 ZINC001074030501 1219683290 /nfs/dbraw/zinc/68/32/90/1219683290.db2.gz SFSYXDGRBLMBKB-JFIYKMOQSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2cncn2C)O1 ZINC001074030501 1219683294 /nfs/dbraw/zinc/68/32/94/1219683294.db2.gz SFSYXDGRBLMBKB-JFIYKMOQSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2cncn2C)O1 ZINC001074030501 1219683296 /nfs/dbraw/zinc/68/32/96/1219683296.db2.gz SFSYXDGRBLMBKB-JFIYKMOQSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2cncn2C)O1 ZINC001074030501 1219683299 /nfs/dbraw/zinc/68/32/99/1219683299.db2.gz SFSYXDGRBLMBKB-JFIYKMOQSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnnn2C)C3)O1 ZINC001098902106 1219856657 /nfs/dbraw/zinc/85/66/57/1219856657.db2.gz MJJBKIVGCUCTJA-KKBFJZEXSA-N 2 2 362.478 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnnn2C)C3)O1 ZINC001098902106 1219856658 /nfs/dbraw/zinc/85/66/58/1219856658.db2.gz MJJBKIVGCUCTJA-KKBFJZEXSA-N 2 2 362.478 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnnn2C)C3)O1 ZINC001098902106 1219856660 /nfs/dbraw/zinc/85/66/60/1219856660.db2.gz MJJBKIVGCUCTJA-KKBFJZEXSA-N 2 2 362.478 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnnn2C)C3)O1 ZINC001098902106 1219856663 /nfs/dbraw/zinc/85/66/63/1219856663.db2.gz MJJBKIVGCUCTJA-KKBFJZEXSA-N 2 2 362.478 0.005 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1)N1CCC1 ZINC001098909175 1219858840 /nfs/dbraw/zinc/85/88/40/1219858840.db2.gz ORSZNYFMHHYFEV-FTRWYGJKSA-N 2 2 371.485 0.649 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1)N1CCC1 ZINC001098909175 1219858841 /nfs/dbraw/zinc/85/88/41/1219858841.db2.gz ORSZNYFMHHYFEV-FTRWYGJKSA-N 2 2 371.485 0.649 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCC2)C3)C1 ZINC001099030924 1219893636 /nfs/dbraw/zinc/89/36/36/1219893636.db2.gz JUXIOBWILOGSPJ-JXFKEZNVSA-N 2 2 362.518 0.921 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N2CCC2)C3)C1 ZINC001099030924 1219893640 /nfs/dbraw/zinc/89/36/40/1219893640.db2.gz JUXIOBWILOGSPJ-JXFKEZNVSA-N 2 2 362.518 0.921 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCC2)C3)C1 ZINC001099030924 1219893641 /nfs/dbraw/zinc/89/36/41/1219893641.db2.gz JUXIOBWILOGSPJ-JXFKEZNVSA-N 2 2 362.518 0.921 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCC2)C3)C1 ZINC001099030924 1219893644 /nfs/dbraw/zinc/89/36/44/1219893644.db2.gz JUXIOBWILOGSPJ-JXFKEZNVSA-N 2 2 362.518 0.921 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098398 1219911721 /nfs/dbraw/zinc/91/17/21/1219911721.db2.gz ZOBJRLSOQSYQIZ-RFUYNDQBSA-N 2 2 368.441 0.725 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098398 1219911724 /nfs/dbraw/zinc/91/17/24/1219911724.db2.gz ZOBJRLSOQSYQIZ-RFUYNDQBSA-N 2 2 368.441 0.725 20 0 FCADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529877 1225932121 /nfs/dbraw/zinc/93/21/21/1225932121.db2.gz XZGVWGHQUPJCQJ-IJLUTSLNSA-N 2 2 362.434 0.042 20 0 FCADLP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001099312790 1219965614 /nfs/dbraw/zinc/96/56/14/1219965614.db2.gz HIJODVUGBMWIDP-ZIAGYGMSSA-N 2 2 370.379 0.907 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099337307 1219971143 /nfs/dbraw/zinc/97/11/43/1219971143.db2.gz PMFPOVSCNLAJJZ-DGCLKSJQSA-N 2 2 371.367 0.531 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099527360 1220023845 /nfs/dbraw/zinc/02/38/45/1220023845.db2.gz VTWVNZWYSDFWNP-KSSFIOAISA-N 2 2 357.462 0.510 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4(CNC(=O)C4)CC3)C2)CC1 ZINC000752013749 1220056469 /nfs/dbraw/zinc/05/64/69/1220056469.db2.gz HMFPPUXCUXHSRN-OAHLLOKOSA-N 2 2 363.506 0.467 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4(CNC(=O)C4)CC3)C2)CC1 ZINC000752013749 1220056477 /nfs/dbraw/zinc/05/64/77/1220056477.db2.gz HMFPPUXCUXHSRN-OAHLLOKOSA-N 2 2 363.506 0.467 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101282736 1220265723 /nfs/dbraw/zinc/26/57/23/1220265723.db2.gz BYLMSXSNEOYLTK-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101282736 1220265726 /nfs/dbraw/zinc/26/57/26/1220265726.db2.gz BYLMSXSNEOYLTK-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284941 1220267344 /nfs/dbraw/zinc/26/73/44/1220267344.db2.gz HJRCUYXROAYDSY-IYOUNJFTSA-N 2 2 363.510 0.782 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284941 1220267347 /nfs/dbraw/zinc/26/73/47/1220267347.db2.gz HJRCUYXROAYDSY-IYOUNJFTSA-N 2 2 363.510 0.782 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284941 1220267351 /nfs/dbraw/zinc/26/73/51/1220267351.db2.gz HJRCUYXROAYDSY-IYOUNJFTSA-N 2 2 363.510 0.782 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284941 1220267356 /nfs/dbraw/zinc/26/73/56/1220267356.db2.gz HJRCUYXROAYDSY-IYOUNJFTSA-N 2 2 363.510 0.782 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308197 1220279076 /nfs/dbraw/zinc/27/90/76/1220279076.db2.gz AAFOAQZYGORTQX-APWZRJJASA-N 2 2 364.490 0.796 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308197 1220279082 /nfs/dbraw/zinc/27/90/82/1220279082.db2.gz AAFOAQZYGORTQX-APWZRJJASA-N 2 2 364.490 0.796 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363489 1220302541 /nfs/dbraw/zinc/30/25/41/1220302541.db2.gz WDZFMWJYYNWMIJ-RKVPGOIHSA-N 2 2 363.510 0.611 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363489 1220302547 /nfs/dbraw/zinc/30/25/47/1220302547.db2.gz WDZFMWJYYNWMIJ-RKVPGOIHSA-N 2 2 363.510 0.611 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375130 1220309005 /nfs/dbraw/zinc/30/90/05/1220309005.db2.gz CSNZSEIZLFXOOT-KHYOSLBOSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375130 1220309009 /nfs/dbraw/zinc/30/90/09/1220309009.db2.gz CSNZSEIZLFXOOT-KHYOSLBOSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCOC[C@H]1CCCO1)C2 ZINC001101403714 1220325010 /nfs/dbraw/zinc/32/50/10/1220325010.db2.gz RHHNZMBVRPALBV-MDZRGWNJSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC001101403714 1220325015 /nfs/dbraw/zinc/32/50/15/1220325015.db2.gz RHHNZMBVRPALBV-MDZRGWNJSA-N 2 2 362.474 0.928 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101418349 1220333151 /nfs/dbraw/zinc/33/31/51/1220333151.db2.gz NPRDDOBXMWMBGA-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101418349 1220333155 /nfs/dbraw/zinc/33/31/55/1220333155.db2.gz NPRDDOBXMWMBGA-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101418349 1220333161 /nfs/dbraw/zinc/33/31/61/1220333161.db2.gz NPRDDOBXMWMBGA-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101418349 1220333165 /nfs/dbraw/zinc/33/31/65/1220333165.db2.gz NPRDDOBXMWMBGA-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001101432332 1220341369 /nfs/dbraw/zinc/34/13/69/1220341369.db2.gz MQFCPGQOYDDWFF-QAPCUYQASA-N 2 2 364.494 0.157 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001101432332 1220341375 /nfs/dbraw/zinc/34/13/75/1220341375.db2.gz MQFCPGQOYDDWFF-QAPCUYQASA-N 2 2 364.494 0.157 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448819 1220352155 /nfs/dbraw/zinc/35/21/55/1220352155.db2.gz NEPZSUVPDHBQNL-BEFAXECRSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448819 1220352160 /nfs/dbraw/zinc/35/21/60/1220352160.db2.gz NEPZSUVPDHBQNL-BEFAXECRSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469147 1220363479 /nfs/dbraw/zinc/36/34/79/1220363479.db2.gz DBMXOWZQUSRPSC-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469147 1220363484 /nfs/dbraw/zinc/36/34/84/1220363484.db2.gz DBMXOWZQUSRPSC-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469147 1220363485 /nfs/dbraw/zinc/36/34/85/1220363485.db2.gz DBMXOWZQUSRPSC-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469147 1220363489 /nfs/dbraw/zinc/36/34/89/1220363489.db2.gz DBMXOWZQUSRPSC-MDZRGWNJSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488066 1220371976 /nfs/dbraw/zinc/37/19/76/1220371976.db2.gz KHEXAVAGNHUGEE-FCEWJHQRSA-N 2 2 361.490 0.824 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488066 1220371980 /nfs/dbraw/zinc/37/19/80/1220371980.db2.gz KHEXAVAGNHUGEE-FCEWJHQRSA-N 2 2 361.490 0.824 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488163 1220372483 /nfs/dbraw/zinc/37/24/83/1220372483.db2.gz PJYUCMCQQKKBGU-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488163 1220372488 /nfs/dbraw/zinc/37/24/88/1220372488.db2.gz PJYUCMCQQKKBGU-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927493 1220435664 /nfs/dbraw/zinc/43/56/64/1220435664.db2.gz HOJMZYNIUQUAOB-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927493 1220435665 /nfs/dbraw/zinc/43/56/65/1220435665.db2.gz HOJMZYNIUQUAOB-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1)C1CC1 ZINC001101927885 1220435847 /nfs/dbraw/zinc/43/58/47/1220435847.db2.gz PQQHKMRLZLJTSI-IIAWOOMASA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1)C1CC1 ZINC001101927885 1220435848 /nfs/dbraw/zinc/43/58/48/1220435848.db2.gz PQQHKMRLZLJTSI-IIAWOOMASA-N 2 2 361.490 0.941 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986988 1220453479 /nfs/dbraw/zinc/45/34/79/1220453479.db2.gz SYILULPPOCDWJT-FMKPAKJESA-N 2 2 361.490 0.710 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986988 1220453484 /nfs/dbraw/zinc/45/34/84/1220453484.db2.gz SYILULPPOCDWJT-FMKPAKJESA-N 2 2 361.490 0.710 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047265 1220477496 /nfs/dbraw/zinc/47/74/96/1220477496.db2.gz AKWWPQFORFWDPS-FRFSOERESA-N 2 2 363.510 0.778 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047265 1220477497 /nfs/dbraw/zinc/47/74/97/1220477497.db2.gz AKWWPQFORFWDPS-FRFSOERESA-N 2 2 363.510 0.778 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)c[nH+]1 ZINC001102079721 1220488651 /nfs/dbraw/zinc/48/86/51/1220488651.db2.gz BFPLXDVXPIWMFQ-UKRRQHHQSA-N 2 2 361.490 0.889 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)c[nH+]1 ZINC001102079721 1220488657 /nfs/dbraw/zinc/48/86/57/1220488657.db2.gz BFPLXDVXPIWMFQ-UKRRQHHQSA-N 2 2 361.490 0.889 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175778 1220535113 /nfs/dbraw/zinc/53/51/13/1220535113.db2.gz POZAEGQWSXXWNL-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175778 1220535117 /nfs/dbraw/zinc/53/51/17/1220535117.db2.gz POZAEGQWSXXWNL-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174226 1220535475 /nfs/dbraw/zinc/53/54/75/1220535475.db2.gz GBLKMUBSQVOULB-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174226 1220535481 /nfs/dbraw/zinc/53/54/81/1220535481.db2.gz GBLKMUBSQVOULB-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102456397 1220629646 /nfs/dbraw/zinc/62/96/46/1220629646.db2.gz YJRHBJSJHWDAAW-SQWLQELKSA-N 2 2 361.490 0.799 20 0 FCADLP 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O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCc1ccco1 ZINC001111502863 1221025282 /nfs/dbraw/zinc/02/52/82/1221025282.db2.gz YDTDWHNACIOHCW-AHCXZYCDSA-N 2 2 374.441 0.775 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111731968 1221080147 /nfs/dbraw/zinc/08/01/47/1221080147.db2.gz VCCLVMAARBZDJU-LXIYXOSZSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111731968 1221080149 /nfs/dbraw/zinc/08/01/49/1221080149.db2.gz VCCLVMAARBZDJU-LXIYXOSZSA-N 2 2 359.430 0.118 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794831 1221112890 /nfs/dbraw/zinc/11/28/90/1221112890.db2.gz LXGYVCYTAMDMED-DEYYWGMASA-N 2 2 366.462 0.328 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794831 1221112895 /nfs/dbraw/zinc/11/28/95/1221112895.db2.gz LXGYVCYTAMDMED-DEYYWGMASA-N 2 2 366.462 0.328 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905436 1221160358 /nfs/dbraw/zinc/16/03/58/1221160358.db2.gz BSQHUTMXSOFVAF-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905436 1221160364 /nfs/dbraw/zinc/16/03/64/1221160364.db2.gz BSQHUTMXSOFVAF-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962862 1221187486 /nfs/dbraw/zinc/18/74/86/1221187486.db2.gz UQSVHXVTNGKZLZ-LPHOPBHVSA-N 2 2 364.490 0.986 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962862 1221187488 /nfs/dbraw/zinc/18/74/88/1221187488.db2.gz UQSVHXVTNGKZLZ-LPHOPBHVSA-N 2 2 364.490 0.986 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111996253 1221196599 /nfs/dbraw/zinc/19/65/99/1221196599.db2.gz RTEZJRQJRBTDLI-FCEWJHQRSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111996253 1221196600 /nfs/dbraw/zinc/19/66/00/1221196600.db2.gz RTEZJRQJRBTDLI-FCEWJHQRSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001111996253 1221196601 /nfs/dbraw/zinc/19/66/01/1221196601.db2.gz RTEZJRQJRBTDLI-FCEWJHQRSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001111996253 1221196603 /nfs/dbraw/zinc/19/66/03/1221196603.db2.gz RTEZJRQJRBTDLI-FCEWJHQRSA-N 2 2 366.506 0.156 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000783995369 1221227661 /nfs/dbraw/zinc/22/76/61/1221227661.db2.gz NGBNNJHREKYTQB-BVIKNXMNSA-N 2 2 361.490 0.877 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112410476 1221253959 /nfs/dbraw/zinc/25/39/59/1221253959.db2.gz AIFZMFZSFXKJRZ-MKSNKDDYSA-N 2 2 362.474 0.740 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112410476 1221253961 /nfs/dbraw/zinc/25/39/61/1221253961.db2.gz AIFZMFZSFXKJRZ-MKSNKDDYSA-N 2 2 362.474 0.740 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2)N1CCC1 ZINC001112410974 1221254335 /nfs/dbraw/zinc/25/43/35/1221254335.db2.gz ZTPAZYIEMCMVHX-ROYATCLZSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2)N1CCC1 ZINC001112410974 1221254339 /nfs/dbraw/zinc/25/43/39/1221254339.db2.gz ZTPAZYIEMCMVHX-ROYATCLZSA-N 2 2 371.485 0.964 20 0 FCADLP Cc1cc(NCCCOCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001115454835 1221300167 /nfs/dbraw/zinc/30/01/67/1221300167.db2.gz GEWVJHIOGUKIOJ-GDBMZVCRSA-N 2 2 365.478 0.747 20 0 FCADLP Cc1cc(NCCCOCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001115454835 1221300175 /nfs/dbraw/zinc/30/01/75/1221300175.db2.gz GEWVJHIOGUKIOJ-GDBMZVCRSA-N 2 2 365.478 0.747 20 0 FCADLP CN(Cc1ccncc1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001116953832 1221408462 /nfs/dbraw/zinc/40/84/62/1221408462.db2.gz SOSWPHKMHSNCNV-UHFFFAOYSA-N 2 2 373.501 0.715 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn(CCCC[NH3+])nn3)CC2)CC1 ZINC001118195312 1221730787 /nfs/dbraw/zinc/73/07/87/1221730787.db2.gz KJMDKXXRPMAURT-UHFFFAOYSA-N 3 2 363.510 0.305 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1cnn(C)c1 ZINC001118216987 1221735347 /nfs/dbraw/zinc/73/53/47/1221735347.db2.gz UPYHFWSIOZMVIC-IBGZPJMESA-N 2 2 370.501 0.744 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)c1cnn(C)c1 ZINC001118216987 1221735352 /nfs/dbraw/zinc/73/53/52/1221735352.db2.gz UPYHFWSIOZMVIC-IBGZPJMESA-N 2 2 370.501 0.744 20 0 FCADLP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001119682679 1221950206 /nfs/dbraw/zinc/95/02/06/1221950206.db2.gz QTQHXARRPYKXSO-HZPDHXFCSA-N 2 2 365.478 0.117 20 0 FCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265322 1222256938 /nfs/dbraw/zinc/25/69/38/1222256938.db2.gz KTPKDXCSEFUOJX-MRXNPFEDSA-N 2 2 358.442 0.273 20 0 FCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265322 1222256947 /nfs/dbraw/zinc/25/69/47/1222256947.db2.gz KTPKDXCSEFUOJX-MRXNPFEDSA-N 2 2 358.442 0.273 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601179 1222342629 /nfs/dbraw/zinc/34/26/29/1222342629.db2.gz SDKIKBPMCPWYOO-HOCLYGCPSA-N 2 2 369.485 0.400 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2)CC1 ZINC001123601179 1222342634 /nfs/dbraw/zinc/34/26/34/1222342634.db2.gz SDKIKBPMCPWYOO-HOCLYGCPSA-N 2 2 369.485 0.400 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123608289 1222343335 /nfs/dbraw/zinc/34/33/35/1222343335.db2.gz OECALNODOCIAMM-KURKYZTESA-N 2 2 368.570 0.194 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123608289 1222343339 /nfs/dbraw/zinc/34/33/39/1222343339.db2.gz OECALNODOCIAMM-KURKYZTESA-N 2 2 368.570 0.194 20 0 FCADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231700673 1226117387 /nfs/dbraw/zinc/11/73/87/1226117387.db2.gz JPPRVCDADRZQDM-UHFFFAOYSA-N 2 2 374.445 0.691 20 0 FCADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231700673 1226117392 /nfs/dbraw/zinc/11/73/92/1226117392.db2.gz JPPRVCDADRZQDM-UHFFFAOYSA-N 2 2 374.445 0.691 20 0 FCADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231700673 1226117398 /nfs/dbraw/zinc/11/73/98/1226117398.db2.gz JPPRVCDADRZQDM-UHFFFAOYSA-N 2 2 374.445 0.691 20 0 FCADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231700673 1226117402 /nfs/dbraw/zinc/11/74/02/1226117402.db2.gz JPPRVCDADRZQDM-UHFFFAOYSA-N 2 2 374.445 0.691 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC001123695793 1222351206 /nfs/dbraw/zinc/35/12/06/1222351206.db2.gz WOCORDYMAAGMCA-SJORKVTESA-N 2 2 360.506 0.856 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC001123695793 1222351210 /nfs/dbraw/zinc/35/12/10/1222351210.db2.gz WOCORDYMAAGMCA-SJORKVTESA-N 2 2 360.506 0.856 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123695606 1222351873 /nfs/dbraw/zinc/35/18/73/1222351873.db2.gz UXMFGXVADWMSLV-FUHWJXTLSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123695606 1222351878 /nfs/dbraw/zinc/35/18/78/1222351878.db2.gz UXMFGXVADWMSLV-FUHWJXTLSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC001123733026 1222354280 /nfs/dbraw/zinc/35/42/80/1222354280.db2.gz DYSMDHNWMHIPAK-ROUUACIJSA-N 2 2 368.570 0.194 20 0 FCADLP O=c1[nH]cc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c(=O)[nH]1 ZINC001231700903 1226118928 /nfs/dbraw/zinc/11/89/28/1226118928.db2.gz JDVBDVAKMZCBGM-UHFFFAOYSA-N 2 2 359.434 0.524 20 0 FCADLP O=c1[nH]cc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)c(=O)[nH]1 ZINC001231700903 1226118932 /nfs/dbraw/zinc/11/89/32/1226118932.db2.gz JDVBDVAKMZCBGM-UHFFFAOYSA-N 2 2 359.434 0.524 20 0 FCADLP [NH3+][C@@H](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000830169920 1222465936 /nfs/dbraw/zinc/46/59/36/1222465936.db2.gz FVPRMJYLOIFLIG-HNNXBMFYSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@@H](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000830169920 1222465938 /nfs/dbraw/zinc/46/59/38/1222465938.db2.gz FVPRMJYLOIFLIG-HNNXBMFYSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@H](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000830169921 1222466054 /nfs/dbraw/zinc/46/60/54/1222466054.db2.gz FVPRMJYLOIFLIG-OAHLLOKOSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@H](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000830169921 1222466057 /nfs/dbraw/zinc/46/60/57/1222466057.db2.gz FVPRMJYLOIFLIG-OAHLLOKOSA-N 2 2 360.462 0.089 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccc(OCC(N)=O)cc1)CC2 ZINC001138869594 1222528480 /nfs/dbraw/zinc/52/84/80/1222528480.db2.gz TWWSWYKNRYMTNH-UHFFFAOYSA-N 2 2 374.485 0.727 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccc(OCC(N)=O)cc1)CC2 ZINC001138869594 1222528482 /nfs/dbraw/zinc/52/84/82/1222528482.db2.gz TWWSWYKNRYMTNH-UHFFFAOYSA-N 2 2 374.485 0.727 20 0 FCADLP O=C1NC[C@@H]2CC[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@H]12 ZINC001139762957 1222557950 /nfs/dbraw/zinc/55/79/50/1222557950.db2.gz CJKNYZJXFAHEPM-HKUYNNGSSA-N 2 2 359.470 0.966 20 0 FCADLP O=C1NC[C@@H]2CC[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@H]12 ZINC001139762957 1222557956 /nfs/dbraw/zinc/55/79/56/1222557956.db2.gz CJKNYZJXFAHEPM-HKUYNNGSSA-N 2 2 359.470 0.966 20 0 FCADLP CNc1nccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140040778 1222565372 /nfs/dbraw/zinc/56/53/72/1222565372.db2.gz ITLSJBYTNJKFFR-GDBMZVCRSA-N 2 2 362.478 0.129 20 0 FCADLP CNc1nccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140040778 1222565381 /nfs/dbraw/zinc/56/53/81/1222565381.db2.gz ITLSJBYTNJKFFR-GDBMZVCRSA-N 2 2 362.478 0.129 20 0 FCADLP CNc1nccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001140040778 1222565383 /nfs/dbraw/zinc/56/53/83/1222565383.db2.gz ITLSJBYTNJKFFR-GDBMZVCRSA-N 2 2 362.478 0.129 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4cnccn4)CC3)cn2)CC1 ZINC001232360606 1226148403 /nfs/dbraw/zinc/14/84/03/1226148403.db2.gz KXOSXDBBZJPDDY-UHFFFAOYSA-N 2 2 353.474 0.946 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3[nH]nc4c3CCC4)CC2)C1=O ZINC001232427635 1226151899 /nfs/dbraw/zinc/15/18/99/1226151899.db2.gz RYYKLKUOUBCBSL-UHFFFAOYSA-N 2 2 374.533 0.569 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3[nH]nc4c3CCC4)CC2)C1=O ZINC001232427635 1226151902 /nfs/dbraw/zinc/15/19/02/1226151902.db2.gz RYYKLKUOUBCBSL-UHFFFAOYSA-N 2 2 374.533 0.569 20 0 FCADLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN(CC(N)=O)C(C)(C)C3)cn2)CC1 ZINC001232366878 1226148887 /nfs/dbraw/zinc/14/88/87/1226148887.db2.gz ROGXIIFBTSWSHQ-UHFFFAOYSA-N 2 2 360.506 0.215 20 0 FCADLP C[NH+]1CCN(c2ccc(C[N@H+]3CCN(CC(N)=O)C(C)(C)C3)cn2)CC1 ZINC001232366878 1226148891 /nfs/dbraw/zinc/14/88/91/1226148891.db2.gz ROGXIIFBTSWSHQ-UHFFFAOYSA-N 2 2 360.506 0.215 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccccn3)CC2)C1=O ZINC001142162743 1222813406 /nfs/dbraw/zinc/81/34/06/1222813406.db2.gz XQZSWBSQUNJELQ-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccccn3)CC2)C1=O ZINC001142162743 1222813407 /nfs/dbraw/zinc/81/34/07/1222813407.db2.gz XQZSWBSQUNJELQ-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP [NH3+]CCN(CCNC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1)N(O)N=O ZINC001142373953 1222826373 /nfs/dbraw/zinc/82/63/73/1222826373.db2.gz KTWLYNIUGWUEJS-AATRIKPKSA-N 2 2 373.417 0.609 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@]4(C)CC[NH2+]C4)n3)cn2)CC1 ZINC000843207132 1222860465 /nfs/dbraw/zinc/86/04/65/1222860465.db2.gz VPTVPOWTEKCRNH-SFHVURJKSA-N 2 2 356.430 0.770 20 0 FCADLP CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C1=O ZINC000843356384 1222872616 /nfs/dbraw/zinc/87/26/16/1222872616.db2.gz VXCWJMRYCWNYEW-RBUKOAKNSA-N 2 2 373.457 0.592 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)CCCO2)CC[N@@H+]1C ZINC001149734082 1222888965 /nfs/dbraw/zinc/88/89/65/1222888965.db2.gz SKZAGFGJTABLPV-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC3CC3)CCCO2)CC[N@H+]1C ZINC001149734082 1222888967 /nfs/dbraw/zinc/88/89/67/1222888967.db2.gz SKZAGFGJTABLPV-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC3CC3)CCCO2)CC[NH+]1C ZINC001149734082 1222888971 /nfs/dbraw/zinc/88/89/71/1222888971.db2.gz SKZAGFGJTABLPV-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CCCO2)CC[NH+]1C ZINC001149734082 1222888975 /nfs/dbraw/zinc/88/89/75/1222888975.db2.gz SKZAGFGJTABLPV-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)cc1 ZINC001153780492 1222985452 /nfs/dbraw/zinc/98/54/52/1222985452.db2.gz OTEYFSFAHMUBRY-SCTDSRPQSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)cc1 ZINC001153780492 1222985456 /nfs/dbraw/zinc/98/54/56/1222985456.db2.gz OTEYFSFAHMUBRY-SCTDSRPQSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC001153780492 1222985462 /nfs/dbraw/zinc/98/54/62/1222985462.db2.gz OTEYFSFAHMUBRY-SCTDSRPQSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC001153780492 1222985470 /nfs/dbraw/zinc/98/54/70/1222985470.db2.gz OTEYFSFAHMUBRY-SCTDSRPQSA-N 2 2 359.470 0.937 20 0 FCADLP CC[N@H+](CC(=O)N1CCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998462 1222998310 /nfs/dbraw/zinc/99/83/10/1222998310.db2.gz RZBWOFHLIWABPX-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+](CC(=O)N1CCCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998462 1222998315 /nfs/dbraw/zinc/99/83/15/1222998315.db2.gz RZBWOFHLIWABPX-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC(=O)N1CCCCC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998462 1222998318 /nfs/dbraw/zinc/99/83/18/1222998318.db2.gz RZBWOFHLIWABPX-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP c1ccc(N2CC[NH+](C3CN(c4ncnc5c4CC[NH2+]C5)C3)CC2)nc1 ZINC001154637756 1223013955 /nfs/dbraw/zinc/01/39/55/1223013955.db2.gz KIZJVKXHQIBQPK-UHFFFAOYSA-N 2 2 351.458 0.528 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]cn1 ZINC001155461350 1223036108 /nfs/dbraw/zinc/03/61/08/1223036108.db2.gz CLFWMFSERLZVAA-GOEBONIOSA-N 2 2 369.473 0.954 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc[nH+]1 ZINC001155461350 1223036110 /nfs/dbraw/zinc/03/61/10/1223036110.db2.gz CLFWMFSERLZVAA-GOEBONIOSA-N 2 2 369.473 0.954 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]cn1 ZINC001155602938 1223039635 /nfs/dbraw/zinc/03/96/35/1223039635.db2.gz STUDABVYKJPVDH-QWQRMKEZSA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC001155602938 1223039640 /nfs/dbraw/zinc/03/96/40/1223039640.db2.gz STUDABVYKJPVDH-QWQRMKEZSA-N 2 2 360.462 0.501 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001157083556 1223067615 /nfs/dbraw/zinc/06/76/15/1223067615.db2.gz VSYNRFATGJBZHF-IRXDYDNUSA-N 2 2 356.426 0.742 20 0 FCADLP C[NH+]1CCC(C[NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CC1 ZINC001157841623 1223082716 /nfs/dbraw/zinc/08/27/16/1223082716.db2.gz GZRLQDXFYIENGZ-UHFFFAOYSA-N 3 2 360.506 0.777 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2ccc3c(c2)OCCO3)nn1 ZINC001158209359 1223090678 /nfs/dbraw/zinc/09/06/78/1223090678.db2.gz SDKXSUYYXBZVKR-CYBMUJFWSA-N 2 2 353.382 0.963 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)C1 ZINC001158258772 1223092099 /nfs/dbraw/zinc/09/20/99/1223092099.db2.gz ITUASXCTWNMLMV-MRXNPFEDSA-N 2 2 359.474 0.556 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)C1 ZINC001158258772 1223092104 /nfs/dbraw/zinc/09/21/04/1223092104.db2.gz ITUASXCTWNMLMV-MRXNPFEDSA-N 2 2 359.474 0.556 20 0 FCADLP COC(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C(=O)OC ZINC001158258577 1223092545 /nfs/dbraw/zinc/09/25/45/1223092545.db2.gz CRKYUDJMYXNKRA-GFCCVEGCSA-N 2 2 362.430 0.657 20 0 FCADLP COC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C(=O)OC ZINC001158258577 1223092548 /nfs/dbraw/zinc/09/25/48/1223092548.db2.gz CRKYUDJMYXNKRA-GFCCVEGCSA-N 2 2 362.430 0.657 20 0 FCADLP COC(=O)c1cc2cnc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)nc2n1C ZINC001158269897 1223092837 /nfs/dbraw/zinc/09/28/37/1223092837.db2.gz SEERKOXKZKEFGR-ZDUSSCGKSA-N 2 2 358.446 0.757 20 0 FCADLP COC(=O)c1cc2cnc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)nc2n1C ZINC001158269897 1223092840 /nfs/dbraw/zinc/09/28/40/1223092840.db2.gz SEERKOXKZKEFGR-ZDUSSCGKSA-N 2 2 358.446 0.757 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158748164 1223106622 /nfs/dbraw/zinc/10/66/22/1223106622.db2.gz QFBMSARLVRXGRV-INIZCTEOSA-N 2 2 369.473 0.742 20 0 FCADLP O=C(N1CCC2(CCCN2c2ncccn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158758987 1223107360 /nfs/dbraw/zinc/10/73/60/1223107360.db2.gz GPGCMVITRSDRJC-HNAYVOBHSA-N 2 2 356.474 0.390 20 0 FCADLP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821378 1223110428 /nfs/dbraw/zinc/11/04/28/1223110428.db2.gz JHKKULOMYHYKGH-AFAVFJNCSA-N 2 2 357.414 0.571 20 0 FCADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821241 1223110621 /nfs/dbraw/zinc/11/06/21/1223110621.db2.gz FDTHULKNPVTLNX-HNNXBMFYSA-N 2 2 374.445 0.438 20 0 FCADLP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CC2 ZINC001158941375 1223113459 /nfs/dbraw/zinc/11/34/59/1223113459.db2.gz IFDTVXIEQMSOPR-AWEZNQCLSA-N 2 2 374.445 0.343 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccc(C[NH3+])c3)C2)C1 ZINC001159124929 1223117664 /nfs/dbraw/zinc/11/76/64/1223117664.db2.gz ACSCSHQHJGFTHJ-HXUWFJFHSA-N 2 2 374.485 0.446 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cccc(C[NH3+])c3)C2)C1 ZINC001159124929 1223117666 /nfs/dbraw/zinc/11/76/66/1223117666.db2.gz ACSCSHQHJGFTHJ-HXUWFJFHSA-N 2 2 374.485 0.446 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159192480 1223120269 /nfs/dbraw/zinc/12/02/69/1223120269.db2.gz SVGRJKCSNZYEKZ-WBVHZDCISA-N 3 2 359.474 0.077 20 0 FCADLP [NH3+]C1(C(=O)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CC[NH2+]CC1 ZINC001159229006 1223121232 /nfs/dbraw/zinc/12/12/32/1223121232.db2.gz XMFHQLXFJLHUQV-PKOBYXMFSA-N 2 2 374.485 0.829 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159283049 1223123038 /nfs/dbraw/zinc/12/30/38/1223123038.db2.gz MMFUQCYOGVUMGL-YOEHRIQHSA-N 2 2 373.413 0.206 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCc3c(COCc4ccccn4)cncc3C2)C1 ZINC001159284682 1223123187 /nfs/dbraw/zinc/12/31/87/1223123187.db2.gz ZLPSLDYYMBXBNL-APWZRJJASA-N 2 2 367.453 0.767 20 0 FCADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[NH2+]CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159424258 1223126803 /nfs/dbraw/zinc/12/68/03/1223126803.db2.gz HHYMNTZYLABVPE-LMMKCTJWSA-N 3 2 361.490 0.210 20 0 FCADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[NH2+]CCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159424258 1223126804 /nfs/dbraw/zinc/12/68/04/1223126804.db2.gz HHYMNTZYLABVPE-LMMKCTJWSA-N 3 2 361.490 0.210 20 0 FCADLP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159548410 1223129296 /nfs/dbraw/zinc/12/92/96/1223129296.db2.gz ADBTZUIPKAZSKM-LIRRHRJNSA-N 3 2 358.490 0.209 20 0 FCADLP O=C([C@@H]1COCC[NH2+]1)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159573767 1223129871 /nfs/dbraw/zinc/12/98/71/1223129871.db2.gz HEPXZQGRYVOCMI-INIZCTEOSA-N 2 2 372.473 0.206 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549778 1223129996 /nfs/dbraw/zinc/12/99/96/1223129996.db2.gz PUQRBNOGCWOTJG-CWRNSKLLSA-N 3 2 358.490 0.207 20 0 FCADLP C[C@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159608179 1223131384 /nfs/dbraw/zinc/13/13/84/1223131384.db2.gz GJOAKUFOYFZCJM-JSGCOSHPSA-N 2 2 362.478 0.375 20 0 FCADLP O=C(N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159905138 1223139348 /nfs/dbraw/zinc/13/93/48/1223139348.db2.gz KEVPBGFUCOXTKK-JZGRTCEGSA-N 2 2 358.442 0.172 20 0 FCADLP O=C(N1CCc2onc(COc3ccccn3)c2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160179972 1223147816 /nfs/dbraw/zinc/14/78/16/1223147816.db2.gz PVWHFQFFJVALJU-ORAYPTAESA-N 2 2 369.425 0.485 20 0 FCADLP CC(=O)N1CCC[C@]2(C1)CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)CCO2 ZINC001160192306 1223148776 /nfs/dbraw/zinc/14/87/76/1223148776.db2.gz UUXVLCRSLDCIEU-HKUYNNGSSA-N 2 2 360.458 0.499 20 0 FCADLP O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160200735 1223149452 /nfs/dbraw/zinc/14/94/52/1223149452.db2.gz AEDARESNIZCRNB-CBGDNZLLSA-N 2 2 374.529 0.873 20 0 FCADLP CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001160332011 1223156117 /nfs/dbraw/zinc/15/61/17/1223156117.db2.gz FFZZKRBTPPROFA-CHWSQXEVSA-N 2 2 360.466 0.593 20 0 FCADLP CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001160332011 1223156118 /nfs/dbraw/zinc/15/61/18/1223156118.db2.gz FFZZKRBTPPROFA-CHWSQXEVSA-N 2 2 360.466 0.593 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001160382825 1223156562 /nfs/dbraw/zinc/15/65/62/1223156562.db2.gz VGSATPRTDWKCIN-HNNXBMFYSA-N 3 2 365.526 0.568 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001160382825 1223156564 /nfs/dbraw/zinc/15/65/64/1223156564.db2.gz VGSATPRTDWKCIN-HNNXBMFYSA-N 3 2 365.526 0.568 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160415055 1223158302 /nfs/dbraw/zinc/15/83/02/1223158302.db2.gz KIALVVCQGYNFKB-MAUKXSAKSA-N 2 2 369.429 0.115 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479175 1223161374 /nfs/dbraw/zinc/16/13/74/1223161374.db2.gz RKIUOOWDTCDKHI-NVXWUHKLSA-N 2 2 366.506 0.369 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160479175 1223161379 /nfs/dbraw/zinc/16/13/79/1223161379.db2.gz RKIUOOWDTCDKHI-NVXWUHKLSA-N 2 2 366.506 0.369 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160479175 1223161384 /nfs/dbraw/zinc/16/13/84/1223161384.db2.gz RKIUOOWDTCDKHI-NVXWUHKLSA-N 2 2 366.506 0.369 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160479175 1223161389 /nfs/dbraw/zinc/16/13/89/1223161389.db2.gz RKIUOOWDTCDKHI-NVXWUHKLSA-N 2 2 366.506 0.369 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC2)cc1 ZINC001160568903 1223164539 /nfs/dbraw/zinc/16/45/39/1223164539.db2.gz JRWXKQXJPGUPFG-SFHVURJKSA-N 3 2 374.485 0.444 20 0 FCADLP O=C(N1CCC(n2c(=O)oc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160556064 1223164704 /nfs/dbraw/zinc/16/47/04/1223164704.db2.gz KUMCXQCFRXEAJA-YJYMSZOUSA-N 2 2 356.426 0.710 20 0 FCADLP COC(=O)c1ccc(CN2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)cc1 ZINC001160569897 1223165368 /nfs/dbraw/zinc/16/53/68/1223165368.db2.gz XOXXRWIJVNORQP-YLJYHZDGSA-N 2 2 372.469 0.069 20 0 FCADLP O=C(N1CCc2[nH+]ccn2CC1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001160760275 1223171745 /nfs/dbraw/zinc/17/17/45/1223171745.db2.gz JBZUDBOSIGJNIK-UZLBHIALSA-N 2 2 351.454 0.994 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160842557 1223176569 /nfs/dbraw/zinc/17/65/69/1223176569.db2.gz FYNPIPPXSRHAQU-WCFLWFBJSA-N 2 2 370.379 0.094 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1)c1ccccc1 ZINC001160905252 1223180124 /nfs/dbraw/zinc/18/01/24/1223180124.db2.gz LGRAAKCEBMAZCM-OKYOBFRVSA-N 2 2 358.486 0.468 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)c1 ZINC001160939994 1223181198 /nfs/dbraw/zinc/18/11/98/1223181198.db2.gz AHNXFTWUUPVSIJ-UZLBHIALSA-N 2 2 374.485 0.312 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC001160940147 1223181289 /nfs/dbraw/zinc/18/12/89/1223181289.db2.gz JXIWVNIUGHOSNT-QGZVFWFLSA-N 2 2 353.426 0.638 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1c1ccc(F)cc1 ZINC001161084399 1223185243 /nfs/dbraw/zinc/18/52/43/1223185243.db2.gz HUMNBFPWRQHNQP-PMPSAXMXSA-N 2 2 360.389 0.834 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001161269600 1223193849 /nfs/dbraw/zinc/19/38/49/1223193849.db2.gz BEIRMZAFKJYETL-JKSUJKDBSA-N 2 2 369.473 0.661 20 0 FCADLP COc1ccc(C(=O)N2CCN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)CC2)cc1 ZINC001161303091 1223194702 /nfs/dbraw/zinc/19/47/02/1223194702.db2.gz AHZCYOKZSYXXRH-MDZRGWNJSA-N 2 2 358.442 0.201 20 0 FCADLP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001161329295 1223196073 /nfs/dbraw/zinc/19/60/73/1223196073.db2.gz ZNOQZQRJDPNOQS-HLIPFELVSA-N 2 2 356.470 0.971 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377550 1223197302 /nfs/dbraw/zinc/19/73/02/1223197302.db2.gz HMFAARYGZJHESP-HOTGVXAUSA-N 3 2 368.522 0.850 20 0 FCADLP CCCNC(=O)c1ccccc1OC1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001161409670 1223198475 /nfs/dbraw/zinc/19/84/75/1223198475.db2.gz PBDNPGCPTDBPSI-PBHICJAKSA-N 2 2 374.485 0.885 20 0 FCADLP O=C(CCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1)c1ccc(F)cc1 ZINC001161516314 1223203216 /nfs/dbraw/zinc/20/32/16/1223203216.db2.gz BPFIOXXRPVHGHB-SJLPKXTDSA-N 2 2 363.433 0.513 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185503 1223211430 /nfs/dbraw/zinc/21/14/30/1223211430.db2.gz RCESWQPCDMLYBQ-OAHLLOKOSA-N 2 2 364.490 0.543 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185503 1223211433 /nfs/dbraw/zinc/21/14/33/1223211433.db2.gz RCESWQPCDMLYBQ-OAHLLOKOSA-N 2 2 364.490 0.543 20 0 FCADLP O=C(NCCC[NH2+]CCOCC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163008010 1223223205 /nfs/dbraw/zinc/22/32/05/1223223205.db2.gz WFQNPAJSFLSQGC-MSOLQXFVSA-N 2 2 369.506 0.389 20 0 FCADLP O=C(NCCC[NH2+]CC[C@@H]1CCOC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995871 1223223370 /nfs/dbraw/zinc/22/33/70/1223223370.db2.gz HOJDASCODFANSQ-KURKYZTESA-N 2 2 369.506 0.389 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001166961952 1223290397 /nfs/dbraw/zinc/29/03/97/1223290397.db2.gz UAUVJXLNFLPQSM-HZPDHXFCSA-N 2 2 355.442 0.919 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166967185 1223290603 /nfs/dbraw/zinc/29/06/03/1223290603.db2.gz ICHYCPPYZPQRNS-RBSFLKMASA-N 2 2 365.478 0.161 20 0 FCADLP CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325512 1223355148 /nfs/dbraw/zinc/35/51/48/1223355148.db2.gz JSCFXWAWYLXWRZ-HZPDHXFCSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206619487 1223363310 /nfs/dbraw/zinc/36/33/10/1223363310.db2.gz CHMMVLMWSSFWSD-DJIMGWMZSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206619487 1223363314 /nfs/dbraw/zinc/36/33/14/1223363314.db2.gz CHMMVLMWSSFWSD-DJIMGWMZSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206619487 1223363319 /nfs/dbraw/zinc/36/33/19/1223363319.db2.gz CHMMVLMWSSFWSD-DJIMGWMZSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccco2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206619487 1223363323 /nfs/dbraw/zinc/36/33/23/1223363323.db2.gz CHMMVLMWSSFWSD-DJIMGWMZSA-N 2 2 362.474 0.769 20 0 FCADLP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1CC(N)=O ZINC001206721860 1223367627 /nfs/dbraw/zinc/36/76/27/1223367627.db2.gz GKZODRZPMCDWCH-UHFFFAOYSA-N 2 2 360.502 0.900 20 0 FCADLP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1CC(N)=O ZINC001206721860 1223367630 /nfs/dbraw/zinc/36/76/30/1223367630.db2.gz GKZODRZPMCDWCH-UHFFFAOYSA-N 2 2 360.502 0.900 20 0 FCADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1C ZINC001206793673 1223370956 /nfs/dbraw/zinc/37/09/56/1223370956.db2.gz XWWLPTWSDBNYMT-UHFFFAOYSA-N 3 2 363.506 0.731 20 0 FCADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1C ZINC001206793673 1223370959 /nfs/dbraw/zinc/37/09/59/1223370959.db2.gz XWWLPTWSDBNYMT-UHFFFAOYSA-N 3 2 363.506 0.731 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)O1 ZINC000977921002 1248676484 /nfs/dbraw/zinc/67/64/84/1248676484.db2.gz AZJCGWHOSWQQGH-RBSFLKMASA-N 2 2 363.462 0.121 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)O1 ZINC000977921002 1248676493 /nfs/dbraw/zinc/67/64/93/1248676493.db2.gz AZJCGWHOSWQQGH-RBSFLKMASA-N 2 2 363.462 0.121 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001206997807 1223403134 /nfs/dbraw/zinc/40/31/34/1223403134.db2.gz YAWAUPIRNPTAQM-SJLPKXTDSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001206997807 1223403138 /nfs/dbraw/zinc/40/31/38/1223403138.db2.gz YAWAUPIRNPTAQM-SJLPKXTDSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001206997807 1223403141 /nfs/dbraw/zinc/40/31/41/1223403141.db2.gz YAWAUPIRNPTAQM-SJLPKXTDSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c1 ZINC001206997807 1223403144 /nfs/dbraw/zinc/40/31/44/1223403144.db2.gz YAWAUPIRNPTAQM-SJLPKXTDSA-N 2 2 362.474 0.701 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014782 1223406018 /nfs/dbraw/zinc/40/60/18/1223406018.db2.gz IUSLSPUQJWQNAD-GDBMZVCRSA-N 2 2 361.490 0.677 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014782 1223406020 /nfs/dbraw/zinc/40/60/20/1223406020.db2.gz IUSLSPUQJWQNAD-GDBMZVCRSA-N 2 2 361.490 0.677 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207546874 1223454175 /nfs/dbraw/zinc/45/41/75/1223454175.db2.gz DEKDTGWCWIUHOA-DJIMGWMZSA-N 2 2 359.478 0.184 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207546874 1223454176 /nfs/dbraw/zinc/45/41/76/1223454176.db2.gz DEKDTGWCWIUHOA-DJIMGWMZSA-N 2 2 359.478 0.184 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567912 1223458068 /nfs/dbraw/zinc/45/80/68/1223458068.db2.gz GHJZYCUDXHRYMF-HYVNUMGLSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567912 1223458072 /nfs/dbraw/zinc/45/80/72/1223458072.db2.gz GHJZYCUDXHRYMF-HYVNUMGLSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567912 1223458074 /nfs/dbraw/zinc/45/80/74/1223458074.db2.gz GHJZYCUDXHRYMF-HYVNUMGLSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567912 1223458077 /nfs/dbraw/zinc/45/80/77/1223458077.db2.gz GHJZYCUDXHRYMF-HYVNUMGLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C)[NH+](C)C ZINC001207697944 1223471914 /nfs/dbraw/zinc/47/19/14/1223471914.db2.gz OOIIEJOHHNBHKQ-RBSFLKMASA-N 2 2 369.510 0.245 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C)[NH+](C)C ZINC001207697944 1223471922 /nfs/dbraw/zinc/47/19/22/1223471922.db2.gz OOIIEJOHHNBHKQ-RBSFLKMASA-N 2 2 369.510 0.245 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703335 1223472834 /nfs/dbraw/zinc/47/28/34/1223472834.db2.gz YJONWMMWHFGZTR-ISTVAULSSA-N 2 2 358.402 0.196 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703335 1223472836 /nfs/dbraw/zinc/47/28/36/1223472836.db2.gz YJONWMMWHFGZTR-ISTVAULSSA-N 2 2 358.402 0.196 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705819 1223473027 /nfs/dbraw/zinc/47/30/27/1223473027.db2.gz JPOADLNDWFPNIM-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705819 1223473028 /nfs/dbraw/zinc/47/30/28/1223473028.db2.gz JPOADLNDWFPNIM-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734279 1223474545 /nfs/dbraw/zinc/47/45/45/1223474545.db2.gz QXPSXLWAWBZGGV-HLLBOEOZSA-N 2 2 361.490 0.749 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734279 1223474549 /nfs/dbraw/zinc/47/45/49/1223474549.db2.gz QXPSXLWAWBZGGV-HLLBOEOZSA-N 2 2 361.490 0.749 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001208005102 1223505672 /nfs/dbraw/zinc/50/56/72/1223505672.db2.gz SUEDRDMKLLTUPX-CZUORRHYSA-N 2 2 359.430 0.537 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001208005102 1223505675 /nfs/dbraw/zinc/50/56/75/1223505675.db2.gz SUEDRDMKLLTUPX-CZUORRHYSA-N 2 2 359.430 0.537 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208122673 1223517466 /nfs/dbraw/zinc/51/74/66/1223517466.db2.gz BXKPFJGEPRBAGF-ZIAGYGMSSA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208122673 1223517468 /nfs/dbraw/zinc/51/74/68/1223517468.db2.gz BXKPFJGEPRBAGF-ZIAGYGMSSA-N 2 2 364.494 0.309 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208207710 1223522030 /nfs/dbraw/zinc/52/20/30/1223522030.db2.gz YHVNYTMNDKIDAW-FHLIZLRMSA-N 2 2 358.442 0.930 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208207710 1223522033 /nfs/dbraw/zinc/52/20/33/1223522033.db2.gz YHVNYTMNDKIDAW-FHLIZLRMSA-N 2 2 358.442 0.930 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208590385 1223560604 /nfs/dbraw/zinc/56/06/04/1223560604.db2.gz FSOWIGRUXWKEQS-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208590385 1223560612 /nfs/dbraw/zinc/56/06/12/1223560612.db2.gz FSOWIGRUXWKEQS-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208590385 1223560617 /nfs/dbraw/zinc/56/06/17/1223560617.db2.gz FSOWIGRUXWKEQS-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208590385 1223560621 /nfs/dbraw/zinc/56/06/21/1223560621.db2.gz FSOWIGRUXWKEQS-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208677226 1223568882 /nfs/dbraw/zinc/56/88/82/1223568882.db2.gz XTRQYOSMIPVTTR-KBAYOESNSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208677226 1223568887 /nfs/dbraw/zinc/56/88/87/1223568887.db2.gz XTRQYOSMIPVTTR-KBAYOESNSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001208677226 1223568890 /nfs/dbraw/zinc/56/88/90/1223568890.db2.gz XTRQYOSMIPVTTR-KBAYOESNSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001208677226 1223568896 /nfs/dbraw/zinc/56/88/96/1223568896.db2.gz XTRQYOSMIPVTTR-KBAYOESNSA-N 2 2 358.486 0.486 20 0 FCADLP CC1(C)OC[C@@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001276616806 1223599373 /nfs/dbraw/zinc/59/93/73/1223599373.db2.gz AQAHPFKHLNGZBB-QAPCUYQASA-N 2 2 364.446 0.338 20 0 FCADLP CC1(C)OC[C@@H](C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001276616806 1223599374 /nfs/dbraw/zinc/59/93/74/1223599374.db2.gz AQAHPFKHLNGZBB-QAPCUYQASA-N 2 2 364.446 0.338 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](C[C@@H]3COC(C)(C)O3)C2)OCC1=O ZINC001276617884 1223599863 /nfs/dbraw/zinc/59/98/63/1223599863.db2.gz MXZTZAFCASRWPX-QAPCUYQASA-N 2 2 364.446 0.375 20 0 FCADLP Cc1cccc(CO[C@H]2C[C@@H]3CN(CC[NH+]4CCOCC4)CC[N@@H+]3C2)n1 ZINC001209289501 1223608299 /nfs/dbraw/zinc/60/82/99/1223608299.db2.gz DKUFSPBFDBKHBE-UXHICEINSA-N 2 2 360.502 0.997 20 0 FCADLP Cc1cccc(CO[C@H]2C[C@@H]3CN(CC[NH+]4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289501 1223608302 /nfs/dbraw/zinc/60/83/02/1223608302.db2.gz DKUFSPBFDBKHBE-UXHICEINSA-N 2 2 360.502 0.997 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001209478462 1223623839 /nfs/dbraw/zinc/62/38/39/1223623839.db2.gz UZMFSBHJULHIHS-RHSMWYFYSA-N 2 2 361.490 0.934 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001209478462 1223623844 /nfs/dbraw/zinc/62/38/44/1223623844.db2.gz UZMFSBHJULHIHS-RHSMWYFYSA-N 2 2 361.490 0.934 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001209514180 1223626317 /nfs/dbraw/zinc/62/63/17/1223626317.db2.gz IIRTZGLABMNQOW-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)C1=O ZINC001209514180 1223626321 /nfs/dbraw/zinc/62/63/21/1223626321.db2.gz IIRTZGLABMNQOW-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)on1 ZINC001209836755 1223652517 /nfs/dbraw/zinc/65/25/17/1223652517.db2.gz QFMSAXPDWCAJIJ-CZUORRHYSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)on1 ZINC001209836755 1223652520 /nfs/dbraw/zinc/65/25/20/1223652520.db2.gz QFMSAXPDWCAJIJ-CZUORRHYSA-N 2 2 366.462 0.731 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836679 1223652561 /nfs/dbraw/zinc/65/25/61/1223652561.db2.gz PHVINVFRTYHRHG-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836679 1223652563 /nfs/dbraw/zinc/65/25/63/1223652563.db2.gz PHVINVFRTYHRHG-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP C[NH+]1CCN(c2ncc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cn2)CC1 ZINC001210263121 1223679671 /nfs/dbraw/zinc/67/96/71/1223679671.db2.gz ZTKPUROYOVJVGV-UHFFFAOYSA-N 3 2 354.462 0.777 20 0 FCADLP CN1CCN(c2ncc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cn2)CC1 ZINC001210263121 1223679672 /nfs/dbraw/zinc/67/96/72/1223679672.db2.gz ZTKPUROYOVJVGV-UHFFFAOYSA-N 2 2 354.462 0.777 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039676 1223720626 /nfs/dbraw/zinc/72/06/26/1223720626.db2.gz TTYITFVGFLXYBZ-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039676 1223720628 /nfs/dbraw/zinc/72/06/28/1223720628.db2.gz TTYITFVGFLXYBZ-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046731 1223721590 /nfs/dbraw/zinc/72/15/90/1223721590.db2.gz UZNORHGNQAJZBR-HLLBOEOZSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046731 1223721591 /nfs/dbraw/zinc/72/15/91/1223721591.db2.gz UZNORHGNQAJZBR-HLLBOEOZSA-N 2 2 361.490 0.690 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276693907 1223723616 /nfs/dbraw/zinc/72/36/16/1223723616.db2.gz OUMQNBBOJVPQKE-QAPCUYQASA-N 2 2 362.430 0.177 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001276693907 1223723620 /nfs/dbraw/zinc/72/36/20/1223723620.db2.gz OUMQNBBOJVPQKE-QAPCUYQASA-N 2 2 362.430 0.177 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342203 1223788329 /nfs/dbraw/zinc/78/83/29/1223788329.db2.gz LRYCTNNYTABHQI-ARFHVFGLSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342203 1223788333 /nfs/dbraw/zinc/78/83/33/1223788333.db2.gz LRYCTNNYTABHQI-ARFHVFGLSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346176 1223788503 /nfs/dbraw/zinc/78/85/03/1223788503.db2.gz AERABFUEJCXUPX-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346176 1223788507 /nfs/dbraw/zinc/78/85/07/1223788507.db2.gz AERABFUEJCXUPX-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376917 1223792484 /nfs/dbraw/zinc/79/24/84/1223792484.db2.gz NITOYCINDOBCMY-IAGOWNOFSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376917 1223792486 /nfs/dbraw/zinc/79/24/86/1223792486.db2.gz NITOYCINDOBCMY-IAGOWNOFSA-N 2 2 370.538 0.647 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435296 1223798194 /nfs/dbraw/zinc/79/81/94/1223798194.db2.gz VDUKWCKZYQZSAU-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435296 1223798197 /nfs/dbraw/zinc/79/81/97/1223798197.db2.gz VDUKWCKZYQZSAU-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526618 1223809904 /nfs/dbraw/zinc/80/99/04/1223809904.db2.gz RBVNIZFLNNUNLR-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526618 1223809906 /nfs/dbraw/zinc/80/99/06/1223809906.db2.gz RBVNIZFLNNUNLR-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001213588780 1223819578 /nfs/dbraw/zinc/81/95/78/1223819578.db2.gz SZEVVVCQVRKQTG-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001213588780 1223819579 /nfs/dbraw/zinc/81/95/79/1223819579.db2.gz SZEVVVCQVRKQTG-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001213588780 1223819581 /nfs/dbraw/zinc/81/95/81/1223819581.db2.gz SZEVVVCQVRKQTG-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001213588780 1223819583 /nfs/dbraw/zinc/81/95/83/1223819583.db2.gz SZEVVVCQVRKQTG-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629382 1223825689 /nfs/dbraw/zinc/82/56/89/1223825689.db2.gz WVEYZUOIRGQJQK-QZTJIDSGSA-N 2 2 362.474 0.508 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629382 1223825690 /nfs/dbraw/zinc/82/56/90/1223825690.db2.gz WVEYZUOIRGQJQK-QZTJIDSGSA-N 2 2 362.474 0.508 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719160 1223838899 /nfs/dbraw/zinc/83/88/99/1223838899.db2.gz PZLSXURJZWNFDT-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719160 1223838901 /nfs/dbraw/zinc/83/89/01/1223838901.db2.gz PZLSXURJZWNFDT-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213719160 1223838903 /nfs/dbraw/zinc/83/89/03/1223838903.db2.gz PZLSXURJZWNFDT-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213719160 1223838905 /nfs/dbraw/zinc/83/89/05/1223838905.db2.gz PZLSXURJZWNFDT-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721447 1223839044 /nfs/dbraw/zinc/83/90/44/1223839044.db2.gz OYKJABPWEJEXNY-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721447 1223839046 /nfs/dbraw/zinc/83/90/46/1223839046.db2.gz OYKJABPWEJEXNY-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721447 1223839049 /nfs/dbraw/zinc/83/90/49/1223839049.db2.gz OYKJABPWEJEXNY-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721447 1223839051 /nfs/dbraw/zinc/83/90/51/1223839051.db2.gz OYKJABPWEJEXNY-USXIJHARSA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276704842 1223842161 /nfs/dbraw/zinc/84/21/61/1223842161.db2.gz IAYOQOPTQHWYND-GOSISDBHSA-N 2 2 361.446 0.249 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276704842 1223842163 /nfs/dbraw/zinc/84/21/63/1223842163.db2.gz IAYOQOPTQHWYND-GOSISDBHSA-N 2 2 361.446 0.249 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767438 1223846875 /nfs/dbraw/zinc/84/68/75/1223846875.db2.gz TUPNFUUIHCGBRM-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767438 1223846877 /nfs/dbraw/zinc/84/68/77/1223846877.db2.gz TUPNFUUIHCGBRM-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767438 1223846878 /nfs/dbraw/zinc/84/68/78/1223846878.db2.gz TUPNFUUIHCGBRM-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767438 1223846880 /nfs/dbraw/zinc/84/68/80/1223846880.db2.gz TUPNFUUIHCGBRM-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860139 1223863156 /nfs/dbraw/zinc/86/31/56/1223863156.db2.gz TZZIITIRKJAVNU-NWANDNLSSA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860139 1223863157 /nfs/dbraw/zinc/86/31/57/1223863157.db2.gz TZZIITIRKJAVNU-NWANDNLSSA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860040 1223863390 /nfs/dbraw/zinc/86/33/90/1223863390.db2.gz QXEAPBKWEOKLTM-RCCFBDPRSA-N 2 2 369.506 0.483 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860040 1223863392 /nfs/dbraw/zinc/86/33/92/1223863392.db2.gz QXEAPBKWEOKLTM-RCCFBDPRSA-N 2 2 369.506 0.483 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863226 1223863669 /nfs/dbraw/zinc/86/36/69/1223863669.db2.gz HXCJRMUMSFBDGG-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863226 1223863671 /nfs/dbraw/zinc/86/36/71/1223863671.db2.gz HXCJRMUMSFBDGG-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863584 1223864119 /nfs/dbraw/zinc/86/41/19/1223864119.db2.gz OPDOYDRNKBUKGQ-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863584 1223864120 /nfs/dbraw/zinc/86/41/20/1223864120.db2.gz OPDOYDRNKBUKGQ-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868506 1223865232 /nfs/dbraw/zinc/86/52/32/1223865232.db2.gz YIIMQNJPIULYMQ-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868506 1223865234 /nfs/dbraw/zinc/86/52/34/1223865234.db2.gz YIIMQNJPIULYMQ-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927738 1223874012 /nfs/dbraw/zinc/87/40/12/1223874012.db2.gz YXVWVOXYYKLPSF-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927738 1223874013 /nfs/dbraw/zinc/87/40/13/1223874013.db2.gz YXVWVOXYYKLPSF-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927738 1223874016 /nfs/dbraw/zinc/87/40/16/1223874016.db2.gz YXVWVOXYYKLPSF-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927738 1223874019 /nfs/dbraw/zinc/87/40/19/1223874019.db2.gz YXVWVOXYYKLPSF-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930149 1223874950 /nfs/dbraw/zinc/87/49/50/1223874950.db2.gz XTQAADMLWZPPIF-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930149 1223874951 /nfs/dbraw/zinc/87/49/51/1223874951.db2.gz XTQAADMLWZPPIF-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930149 1223874952 /nfs/dbraw/zinc/87/49/52/1223874952.db2.gz XTQAADMLWZPPIF-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930149 1223874953 /nfs/dbraw/zinc/87/49/53/1223874953.db2.gz XTQAADMLWZPPIF-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213931686 1223875514 /nfs/dbraw/zinc/87/55/14/1223875514.db2.gz OGIUKVNNIHELFH-KZNAEPCWSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001213931686 1223875515 /nfs/dbraw/zinc/87/55/15/1223875515.db2.gz OGIUKVNNIHELFH-KZNAEPCWSA-N 2 2 363.506 0.856 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001276713028 1223925312 /nfs/dbraw/zinc/92/53/12/1223925312.db2.gz VQCDEOOZIUONIE-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP COc1cc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cnc1F ZINC001276713028 1223925316 /nfs/dbraw/zinc/92/53/16/1223925316.db2.gz VQCDEOOZIUONIE-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001214892221 1223952016 /nfs/dbraw/zinc/95/20/16/1223952016.db2.gz ITMIHRGLFSYYPZ-DNNBLBMLSA-N 2 2 359.474 0.866 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ncnn4CC)C[C@H]32)CC[N@@H+]1C ZINC000978172851 1248714983 /nfs/dbraw/zinc/71/49/83/1248714983.db2.gz CKNUZUWBCJRJTF-SMLCLMEVSA-N 2 2 360.506 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ncnn4CC)C[C@H]32)CC[N@H+]1C ZINC000978172851 1248714990 /nfs/dbraw/zinc/71/49/90/1248714990.db2.gz CKNUZUWBCJRJTF-SMLCLMEVSA-N 2 2 360.506 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncnn4CC)C[C@H]32)CC[NH+]1C ZINC000978172851 1248714995 /nfs/dbraw/zinc/71/49/95/1248714995.db2.gz CKNUZUWBCJRJTF-SMLCLMEVSA-N 2 2 360.506 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncnn4CC)C[C@H]32)CC[NH+]1C ZINC000978172851 1248715000 /nfs/dbraw/zinc/71/50/00/1248715000.db2.gz CKNUZUWBCJRJTF-SMLCLMEVSA-N 2 2 360.506 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006028 1223963326 /nfs/dbraw/zinc/96/33/26/1223963326.db2.gz OXCDIQVGTVZQEH-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008608 1223963675 /nfs/dbraw/zinc/96/36/75/1223963675.db2.gz UHPDMKZCNGOKSV-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001215268887 1223986740 /nfs/dbraw/zinc/98/67/40/1223986740.db2.gz BSYGDIMJNYGBMC-GDBMZVCRSA-N 2 2 363.462 0.005 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2)C1 ZINC001215447199 1224000239 /nfs/dbraw/zinc/00/02/39/1224000239.db2.gz YMXYHBKGQOTQCG-JEBQAFNWSA-N 2 2 370.457 0.489 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2)C1 ZINC001215447199 1224000244 /nfs/dbraw/zinc/00/02/44/1224000244.db2.gz YMXYHBKGQOTQCG-JEBQAFNWSA-N 2 2 370.457 0.489 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215512049 1224003238 /nfs/dbraw/zinc/00/32/38/1224003238.db2.gz VSJFAQDLFZTEIH-IVMMDQJWSA-N 2 2 359.474 0.792 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215512157 1224003259 /nfs/dbraw/zinc/00/32/59/1224003259.db2.gz ZNJMZFDFNOBGBC-XNRPHZJLSA-N 2 2 359.474 0.887 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705380 1224012877 /nfs/dbraw/zinc/01/28/77/1224012877.db2.gz JSXKFIUOXZZALA-HLLBOEOZSA-N 2 2 365.478 0.423 20 0 FCADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215743193 1224015277 /nfs/dbraw/zinc/01/52/77/1224015277.db2.gz XMOHEKJXNKVVTI-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001215858007 1224021408 /nfs/dbraw/zinc/02/14/08/1224021408.db2.gz DBUFQGYGRAVMPV-CKEIUWERSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001215858007 1224021411 /nfs/dbraw/zinc/02/14/11/1224021411.db2.gz DBUFQGYGRAVMPV-CKEIUWERSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001215934265 1224025178 /nfs/dbraw/zinc/02/51/78/1224025178.db2.gz LGTFFFAFYVHKHP-HZPDHXFCSA-N 2 2 364.494 0.254 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nccn1C ZINC001215934256 1224025441 /nfs/dbraw/zinc/02/54/41/1224025441.db2.gz KVFDLHNWHMWFQC-IAGOWNOFSA-N 2 2 363.506 0.859 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001216065988 1224032692 /nfs/dbraw/zinc/03/26/92/1224032692.db2.gz WMUNZEOXWLDTDD-IJEWVQPXSA-N 2 2 362.430 0.559 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+]CCOCCO ZINC001216366906 1224046860 /nfs/dbraw/zinc/04/68/60/1224046860.db2.gz VWNCIPWGSYHBIE-RHSMWYFYSA-N 2 2 359.430 0.326 20 0 FCADLP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)C1CC1 ZINC001216631252 1224059828 /nfs/dbraw/zinc/05/98/28/1224059828.db2.gz ZGIYKMLCVWXOIP-JKIFEVAISA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001216987478 1224083427 /nfs/dbraw/zinc/08/34/27/1224083427.db2.gz IQJBLICCVQCQKX-NVXWUHKLSA-N 2 2 356.474 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001216987478 1224083429 /nfs/dbraw/zinc/08/34/29/1224083429.db2.gz IQJBLICCVQCQKX-NVXWUHKLSA-N 2 2 356.474 0.884 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982300097 1248785300 /nfs/dbraw/zinc/78/53/00/1248785300.db2.gz SGECBHLIULBBEG-SIKVJHAASA-N 2 2 357.458 0.572 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000982300097 1248785308 /nfs/dbraw/zinc/78/53/08/1248785308.db2.gz SGECBHLIULBBEG-SIKVJHAASA-N 2 2 357.458 0.572 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982300097 1248785317 /nfs/dbraw/zinc/78/53/17/1248785317.db2.gz SGECBHLIULBBEG-SIKVJHAASA-N 2 2 357.458 0.572 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000982300097 1248785293 /nfs/dbraw/zinc/78/52/93/1248785293.db2.gz SGECBHLIULBBEG-SIKVJHAASA-N 2 2 357.458 0.572 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000987469320 1249037956 /nfs/dbraw/zinc/03/79/56/1249037956.db2.gz RBIVVOLRVFFTGW-INWMFGNUSA-N 2 2 363.462 0.550 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000987469320 1249037964 /nfs/dbraw/zinc/03/79/64/1249037964.db2.gz RBIVVOLRVFFTGW-INWMFGNUSA-N 2 2 363.462 0.550 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000993578917 1249725900 /nfs/dbraw/zinc/72/59/00/1249725900.db2.gz MVYFTCVANYXQOR-FDYHWXHSSA-N 2 2 369.416 0.436 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000993578917 1249725907 /nfs/dbraw/zinc/72/59/07/1249725907.db2.gz MVYFTCVANYXQOR-FDYHWXHSSA-N 2 2 369.416 0.436 20 0 FCADLP CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000993582497 1249732562 /nfs/dbraw/zinc/73/25/62/1249732562.db2.gz ZSRGWNAGTRJONH-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(C)F ZINC000993592544 1249756573 /nfs/dbraw/zinc/75/65/73/1249756573.db2.gz PYCJCJJYFNXHTP-MCIONIFRSA-N 2 2 365.453 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(C)(C)F ZINC000993592544 1249756580 /nfs/dbraw/zinc/75/65/80/1249756580.db2.gz PYCJCJJYFNXHTP-MCIONIFRSA-N 2 2 365.453 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993599789 1249768276 /nfs/dbraw/zinc/76/82/76/1249768276.db2.gz LFAMRRAQNLTVEY-BRWVUGGUSA-N 2 2 371.485 0.891 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993599789 1249768284 /nfs/dbraw/zinc/76/82/84/1249768284.db2.gz LFAMRRAQNLTVEY-BRWVUGGUSA-N 2 2 371.485 0.891 20 0 FCADLP 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Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993610870 1249806926 /nfs/dbraw/zinc/80/69/26/1249806926.db2.gz BJOSLUQLCWSBMJ-ARFHVFGLSA-N 2 2 370.457 0.424 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)CC1CC1 ZINC000993614296 1249819078 /nfs/dbraw/zinc/81/90/78/1249819078.db2.gz RIOMTMUPFYMBKC-HZPDHXFCSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1 ZINC000993633077 1249878951 /nfs/dbraw/zinc/87/89/51/1249878951.db2.gz FUWFWHWZVXZRLT-YNEHKIRRSA-N 2 2 369.416 0.580 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1 ZINC000993633077 1249878971 /nfs/dbraw/zinc/87/89/71/1249878971.db2.gz FUWFWHWZVXZRLT-YNEHKIRRSA-N 2 2 369.416 0.580 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C(F)F)C2)C1 ZINC000993635291 1249889293 /nfs/dbraw/zinc/88/92/93/1249889293.db2.gz XYTAXOPXRUZOJC-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C(F)F)C2)C1 ZINC000993635291 1249889312 /nfs/dbraw/zinc/88/93/12/1249889312.db2.gz XYTAXOPXRUZOJC-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000994033854 1250159819 /nfs/dbraw/zinc/15/98/19/1250159819.db2.gz STFGALOXHPYSFC-BZUAXINKSA-N 2 2 361.490 0.515 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000994033854 1250159824 /nfs/dbraw/zinc/15/98/24/1250159824.db2.gz STFGALOXHPYSFC-BZUAXINKSA-N 2 2 361.490 0.515 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000994050299 1250172480 /nfs/dbraw/zinc/17/24/80/1250172480.db2.gz DUWBEGLHEHMKTD-BMFZPTHFSA-N 2 2 359.474 0.505 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000823784096 1245320995 /nfs/dbraw/zinc/32/09/95/1245320995.db2.gz SENRXGYITXOSLC-QGZVFWFLSA-N 2 2 374.533 0.202 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000823784096 1245320998 /nfs/dbraw/zinc/32/09/98/1245320998.db2.gz SENRXGYITXOSLC-QGZVFWFLSA-N 2 2 374.533 0.202 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cc2C1=O ZINC000823806393 1245321678 /nfs/dbraw/zinc/32/16/78/1245321678.db2.gz WOOSKLRRWJVJLQ-QWHCGFSZSA-N 2 2 356.426 0.734 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)cc2C1=O ZINC000823806393 1245321682 /nfs/dbraw/zinc/32/16/82/1245321682.db2.gz WOOSKLRRWJVJLQ-QWHCGFSZSA-N 2 2 356.426 0.734 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)cc2C1=O ZINC000823806393 1245321685 /nfs/dbraw/zinc/32/16/85/1245321685.db2.gz WOOSKLRRWJVJLQ-QWHCGFSZSA-N 2 2 356.426 0.734 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)cc2C1=O ZINC000823806393 1245321689 /nfs/dbraw/zinc/32/16/89/1245321689.db2.gz WOOSKLRRWJVJLQ-QWHCGFSZSA-N 2 2 356.426 0.734 20 0 FCADLP 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/nfs/dbraw/zinc/79/01/59/1252790159.db2.gz SYIGFDSCLJJSDD-DJIMGWMZSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)N1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001003140599 1252790172 /nfs/dbraw/zinc/79/01/72/1252790172.db2.gz SYIGFDSCLJJSDD-DJIMGWMZSA-N 2 2 366.506 0.295 20 0 FCADLP CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001003652857 1253034655 /nfs/dbraw/zinc/03/46/55/1253034655.db2.gz QECHHKQTBWGKNL-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001003704346 1253072242 /nfs/dbraw/zinc/07/22/42/1253072242.db2.gz RGLLVXZFUDBPTO-SVGFKBNWSA-N 2 2 372.469 0.833 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001003704346 1253072248 /nfs/dbraw/zinc/07/22/48/1253072248.db2.gz RGLLVXZFUDBPTO-SVGFKBNWSA-N 2 2 372.469 0.833 20 0 FCADLP COCC[N@H+](C)CCn1c(C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001519115244 1265702397 /nfs/dbraw/zinc/70/23/97/1265702397.db2.gz INMOMRZDAPGYAU-UHFFFAOYSA-N 2 2 359.478 0.886 20 0 FCADLP COCC[N@@H+](C)CCn1c(C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001519115244 1265702402 /nfs/dbraw/zinc/70/24/02/1265702402.db2.gz INMOMRZDAPGYAU-UHFFFAOYSA-N 2 2 359.478 0.886 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001004364437 1253300306 /nfs/dbraw/zinc/30/03/06/1253300306.db2.gz FMEXUIRZPHXCPW-FPCVCCKLSA-N 2 2 359.474 0.932 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001004364437 1253300311 /nfs/dbraw/zinc/30/03/11/1253300311.db2.gz FMEXUIRZPHXCPW-FPCVCCKLSA-N 2 2 359.474 0.932 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004390831 1253312284 /nfs/dbraw/zinc/31/22/84/1253312284.db2.gz MKDLFUFKFCJEAK-BMFZPTHFSA-N 2 2 357.458 0.605 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001004523695 1253352742 /nfs/dbraw/zinc/35/27/42/1253352742.db2.gz HRXLSUVZFSDTHU-HUUCEWRRSA-N 2 2 356.430 0.303 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001004522393 1253353387 /nfs/dbraw/zinc/35/33/87/1253353387.db2.gz ZAFOROPPKSEPLE-OAGGEKHMSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001004522393 1253353395 /nfs/dbraw/zinc/35/33/95/1253353395.db2.gz ZAFOROPPKSEPLE-OAGGEKHMSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004550584 1253359832 /nfs/dbraw/zinc/35/98/32/1253359832.db2.gz FVKKPTWPHDWJQD-BZUAXINKSA-N 2 2 359.474 0.712 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004550584 1253359835 /nfs/dbraw/zinc/35/98/35/1253359835.db2.gz FVKKPTWPHDWJQD-BZUAXINKSA-N 2 2 359.474 0.712 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1Cc1cccnc1 ZINC001329280734 1265726055 /nfs/dbraw/zinc/72/60/55/1265726055.db2.gz KITVVZSIFHJUFF-ZWKOTPCHSA-N 2 2 373.501 0.892 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1Cc1cccnc1 ZINC001329280734 1265726060 /nfs/dbraw/zinc/72/60/60/1265726060.db2.gz KITVVZSIFHJUFF-ZWKOTPCHSA-N 2 2 373.501 0.892 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001329280734 1265726067 /nfs/dbraw/zinc/72/60/67/1265726067.db2.gz KITVVZSIFHJUFF-ZWKOTPCHSA-N 2 2 373.501 0.892 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001329280734 1265726071 /nfs/dbraw/zinc/72/60/71/1265726071.db2.gz KITVVZSIFHJUFF-ZWKOTPCHSA-N 2 2 373.501 0.892 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc([C@H](C)CO)n3C)CC2)CC1 ZINC001519607135 1265736724 /nfs/dbraw/zinc/73/67/24/1265736724.db2.gz RBSASWUKZGHXCS-OAHLLOKOSA-N 2 2 350.511 0.907 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc([C@H](C)CO)n3C)CC2)CC1 ZINC001519607135 1265736727 /nfs/dbraw/zinc/73/67/27/1265736727.db2.gz RBSASWUKZGHXCS-OAHLLOKOSA-N 2 2 350.511 0.907 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001005491310 1253566480 /nfs/dbraw/zinc/56/64/80/1253566480.db2.gz HLNJTPPQQGBLFI-ZACQAIPSSA-N 2 2 359.474 0.932 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)CC1 ZINC001005501476 1253567293 /nfs/dbraw/zinc/56/72/93/1253567293.db2.gz GJBBOJSYHDZUDY-ZACQAIPSSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001005576166 1253582856 /nfs/dbraw/zinc/58/28/56/1253582856.db2.gz SEDLWADCPOGTDZ-NVXWUHKLSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001005576166 1253582863 /nfs/dbraw/zinc/58/28/63/1253582863.db2.gz SEDLWADCPOGTDZ-NVXWUHKLSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005584892 1253583709 /nfs/dbraw/zinc/58/37/09/1253583709.db2.gz ODKMJWORIAXKIM-JKIFEVAISA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005584892 1253583724 /nfs/dbraw/zinc/58/37/24/1253583724.db2.gz ODKMJWORIAXKIM-JKIFEVAISA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@@H+]1C ZINC001006185491 1253724284 /nfs/dbraw/zinc/72/42/84/1253724284.db2.gz SFDBDZGGCPDERW-ISTRZQFTSA-N 2 2 361.490 0.954 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@H+]1C ZINC001006185491 1253724286 /nfs/dbraw/zinc/72/42/86/1253724286.db2.gz SFDBDZGGCPDERW-ISTRZQFTSA-N 2 2 361.490 0.954 20 0 FCADLP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001008280086 1253748525 /nfs/dbraw/zinc/74/85/25/1253748525.db2.gz RXTXFEHOHIRQKP-FMKPAKJESA-N 2 2 371.485 0.962 20 0 FCADLP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001008280086 1253748531 /nfs/dbraw/zinc/74/85/31/1253748531.db2.gz RXTXFEHOHIRQKP-FMKPAKJESA-N 2 2 371.485 0.962 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916771 1253849520 /nfs/dbraw/zinc/84/95/20/1253849520.db2.gz NZIGXWNVYMAYDU-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916771 1253849534 /nfs/dbraw/zinc/84/95/34/1253849534.db2.gz NZIGXWNVYMAYDU-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001519783280 1265771324 /nfs/dbraw/zinc/77/13/24/1265771324.db2.gz AJHGBWJXBKKQSJ-AWEZNQCLSA-N 2 2 356.492 0.320 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766877 1253870107 /nfs/dbraw/zinc/87/01/07/1253870107.db2.gz IDWKITNDDODDBR-BRWVUGGUSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766877 1253870117 /nfs/dbraw/zinc/87/01/17/1253870117.db2.gz IDWKITNDDODDBR-BRWVUGGUSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1cnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766877 1253870122 /nfs/dbraw/zinc/87/01/22/1253870122.db2.gz IDWKITNDDODDBR-BRWVUGGUSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1cnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766877 1253870137 /nfs/dbraw/zinc/87/01/37/1253870137.db2.gz IDWKITNDDODDBR-BRWVUGGUSA-N 2 2 361.490 0.784 20 0 FCADLP CCn1ncc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767231 1253871005 /nfs/dbraw/zinc/87/10/05/1253871005.db2.gz MXMVSUYZSAGDRW-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1ncc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767231 1253871014 /nfs/dbraw/zinc/87/10/14/1253871014.db2.gz MXMVSUYZSAGDRW-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1ncc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767231 1253871021 /nfs/dbraw/zinc/87/10/21/1253871021.db2.gz MXMVSUYZSAGDRW-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1ncc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767231 1253871026 /nfs/dbraw/zinc/87/10/26/1253871026.db2.gz MXMVSUYZSAGDRW-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001029742071 1253871178 /nfs/dbraw/zinc/87/11/78/1253871178.db2.gz KJQNWOAREHYXOE-IJEWVQPXSA-N 2 2 361.494 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001029742071 1253871183 /nfs/dbraw/zinc/87/11/83/1253871183.db2.gz KJQNWOAREHYXOE-IJEWVQPXSA-N 2 2 361.494 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001029742071 1253871192 /nfs/dbraw/zinc/87/11/92/1253871192.db2.gz KJQNWOAREHYXOE-IJEWVQPXSA-N 2 2 361.494 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001029742071 1253871205 /nfs/dbraw/zinc/87/12/05/1253871205.db2.gz KJQNWOAREHYXOE-IJEWVQPXSA-N 2 2 361.494 0.629 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001031686174 1253885202 /nfs/dbraw/zinc/88/52/02/1253885202.db2.gz KWLLVAPVSZHAHP-BHYGNILZSA-N 2 2 366.506 0.012 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C2)CC[N@H+]1C ZINC001031686174 1253885214 /nfs/dbraw/zinc/88/52/14/1253885214.db2.gz KWLLVAPVSZHAHP-BHYGNILZSA-N 2 2 366.506 0.012 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033183626 1253948741 /nfs/dbraw/zinc/94/87/41/1253948741.db2.gz CSHSPPBLEKZUGM-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033183626 1253948747 /nfs/dbraw/zinc/94/87/47/1253948747.db2.gz CSHSPPBLEKZUGM-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033183626 1253948753 /nfs/dbraw/zinc/94/87/53/1253948753.db2.gz CSHSPPBLEKZUGM-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033183626 1253948760 /nfs/dbraw/zinc/94/87/60/1253948760.db2.gz CSHSPPBLEKZUGM-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033429947 1253965448 /nfs/dbraw/zinc/96/54/48/1253965448.db2.gz MWGVZINPCRTVCS-RBSFLKMASA-N 2 2 360.462 0.082 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033429947 1253965456 /nfs/dbraw/zinc/96/54/56/1253965456.db2.gz MWGVZINPCRTVCS-RBSFLKMASA-N 2 2 360.462 0.082 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001033429452 1253966615 /nfs/dbraw/zinc/96/66/15/1253966615.db2.gz IOXXQMAXNGEYMK-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033429452 1253966622 /nfs/dbraw/zinc/96/66/22/1253966622.db2.gz IOXXQMAXNGEYMK-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034272345 1253985101 /nfs/dbraw/zinc/98/51/01/1253985101.db2.gz LMZXMWWUQNIAPD-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034272345 1253985109 /nfs/dbraw/zinc/98/51/09/1253985109.db2.gz LMZXMWWUQNIAPD-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034272345 1253985113 /nfs/dbraw/zinc/98/51/13/1253985113.db2.gz LMZXMWWUQNIAPD-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034272345 1253985118 /nfs/dbraw/zinc/98/51/18/1253985118.db2.gz LMZXMWWUQNIAPD-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034320831 1253990643 /nfs/dbraw/zinc/99/06/43/1253990643.db2.gz BARRTNONDBXDMS-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034320831 1253990654 /nfs/dbraw/zinc/99/06/54/1253990654.db2.gz BARRTNONDBXDMS-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001034697576 1254001549 /nfs/dbraw/zinc/00/15/49/1254001549.db2.gz QJAQVTUPWXHWRW-TXTZMMAHSA-N 2 2 369.506 0.264 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034738344 1254004873 /nfs/dbraw/zinc/00/48/73/1254004873.db2.gz VVZPLCDQLKRYMF-RRCSTGOVSA-N 2 2 357.462 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC001034825581 1254007971 /nfs/dbraw/zinc/00/79/71/1254007971.db2.gz LBYXSXVHYYCFPO-BRWVUGGUSA-N 2 2 367.453 0.818 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](Cc4cnn(C)c4)C3)CC2)O1 ZINC001035733482 1254061438 /nfs/dbraw/zinc/06/14/38/1254061438.db2.gz RUMAROYOTLWLKN-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](Cc4cnn(C)c4)C3)CC2)O1 ZINC001035733482 1254061444 /nfs/dbraw/zinc/06/14/44/1254061444.db2.gz RUMAROYOTLWLKN-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](Cc4ccnn4C)C3)CC2)O1 ZINC001035732831 1254061803 /nfs/dbraw/zinc/06/18/03/1254061803.db2.gz HVQNOYRRICRURS-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(C[NH+](Cc4ccnn4C)C3)CC2)O1 ZINC001035732831 1254061807 /nfs/dbraw/zinc/06/18/07/1254061807.db2.gz HVQNOYRRICRURS-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001061472513 1254177504 /nfs/dbraw/zinc/17/75/04/1254177504.db2.gz ZVLITYMSRVENAX-MGPQQGTHSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001061472513 1254177510 /nfs/dbraw/zinc/17/75/10/1254177510.db2.gz ZVLITYMSRVENAX-MGPQQGTHSA-N 2 2 357.462 0.789 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC001329746032 1265828761 /nfs/dbraw/zinc/82/87/61/1265828761.db2.gz MQYUXOWHTQIROF-INIZCTEOSA-N 2 2 361.490 0.707 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001064581393 1254448924 /nfs/dbraw/zinc/44/89/24/1254448924.db2.gz LLXKIYJVZVCGKG-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001064581393 1254448931 /nfs/dbraw/zinc/44/89/31/1254448931.db2.gz LLXKIYJVZVCGKG-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444195 1254664467 /nfs/dbraw/zinc/66/44/67/1254664467.db2.gz OKXDUHIZGNCSMN-GUDVDZBRSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444195 1254664477 /nfs/dbraw/zinc/66/44/77/1254664477.db2.gz OKXDUHIZGNCSMN-GUDVDZBRSA-N 2 2 358.486 0.926 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565526 1254699688 /nfs/dbraw/zinc/69/96/88/1254699688.db2.gz MSHLOKWZQATQCD-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565526 1254699708 /nfs/dbraw/zinc/69/97/08/1254699708.db2.gz MSHLOKWZQATQCD-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565526 1254699719 /nfs/dbraw/zinc/69/97/19/1254699719.db2.gz MSHLOKWZQATQCD-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565526 1254699739 /nfs/dbraw/zinc/69/97/39/1254699739.db2.gz MSHLOKWZQATQCD-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)c1 ZINC001077566469 1254699987 /nfs/dbraw/zinc/69/99/87/1254699987.db2.gz CIKKFNFQXDFLTA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC001077566469 1254700003 /nfs/dbraw/zinc/70/00/03/1254700003.db2.gz CIKKFNFQXDFLTA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077566469 1254700018 /nfs/dbraw/zinc/70/00/18/1254700018.db2.gz CIKKFNFQXDFLTA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077566469 1254700033 /nfs/dbraw/zinc/70/00/33/1254700033.db2.gz CIKKFNFQXDFLTA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975317 1255139047 /nfs/dbraw/zinc/13/90/47/1255139047.db2.gz JYEDESPTDVTZPO-QZTJIDSGSA-N 2 2 361.490 0.203 20 0 FCADLP Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975317 1255139051 /nfs/dbraw/zinc/13/90/51/1255139051.db2.gz JYEDESPTDVTZPO-QZTJIDSGSA-N 2 2 361.490 0.203 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001077979750 1255142257 /nfs/dbraw/zinc/14/22/57/1255142257.db2.gz BXEIEYBQUCUBPX-FGTMMUONSA-N 2 2 363.506 0.736 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001077979750 1255142263 /nfs/dbraw/zinc/14/22/63/1255142263.db2.gz BXEIEYBQUCUBPX-FGTMMUONSA-N 2 2 363.506 0.736 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077981639 1255144006 /nfs/dbraw/zinc/14/40/06/1255144006.db2.gz VTNYLXMOHJFHGM-BRWVUGGUSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@H]1O ZINC001077981639 1255144013 /nfs/dbraw/zinc/14/40/13/1255144013.db2.gz VTNYLXMOHJFHGM-BRWVUGGUSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001077981639 1255144019 /nfs/dbraw/zinc/14/40/19/1255144019.db2.gz VTNYLXMOHJFHGM-BRWVUGGUSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001077981639 1255144026 /nfs/dbraw/zinc/14/40/26/1255144026.db2.gz VTNYLXMOHJFHGM-BRWVUGGUSA-N 2 2 364.494 0.094 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005831 1255161868 /nfs/dbraw/zinc/16/18/68/1255161868.db2.gz KLHSYFDHXUUHDI-USXIJHARSA-N 2 2 363.506 0.641 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005831 1255161872 /nfs/dbraw/zinc/16/18/72/1255161872.db2.gz KLHSYFDHXUUHDI-USXIJHARSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005831 1255161874 /nfs/dbraw/zinc/16/18/74/1255161874.db2.gz KLHSYFDHXUUHDI-USXIJHARSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005831 1255161877 /nfs/dbraw/zinc/16/18/77/1255161877.db2.gz KLHSYFDHXUUHDI-USXIJHARSA-N 2 2 363.506 0.641 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001078178751 1255293576 /nfs/dbraw/zinc/29/35/76/1255293576.db2.gz BRHDIKDATIAOCY-QZTJIDSGSA-N 2 2 354.454 0.992 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001078178751 1255293579 /nfs/dbraw/zinc/29/35/79/1255293579.db2.gz BRHDIKDATIAOCY-QZTJIDSGSA-N 2 2 354.454 0.992 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001078182088 1255296854 /nfs/dbraw/zinc/29/68/54/1255296854.db2.gz FELJMBGGVYIBOD-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001078182088 1255296859 /nfs/dbraw/zinc/29/68/59/1255296859.db2.gz FELJMBGGVYIBOD-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001078182130 1255296919 /nfs/dbraw/zinc/29/69/19/1255296919.db2.gz HAJMVVNSEXCQEK-IAGOWNOFSA-N 2 2 362.405 0.184 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001078182130 1255296927 /nfs/dbraw/zinc/29/69/27/1255296927.db2.gz HAJMVVNSEXCQEK-IAGOWNOFSA-N 2 2 362.405 0.184 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001078183235 1255297549 /nfs/dbraw/zinc/29/75/49/1255297549.db2.gz HOHLILUULBDXTC-HZPDHXFCSA-N 2 2 356.386 0.089 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001078183235 1255297555 /nfs/dbraw/zinc/29/75/55/1255297555.db2.gz HOHLILUULBDXTC-HZPDHXFCSA-N 2 2 356.386 0.089 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001078182521 1255298279 /nfs/dbraw/zinc/29/82/79/1255298279.db2.gz ZDEQBHXOYUCUBZ-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001078182521 1255298287 /nfs/dbraw/zinc/29/82/87/1255298287.db2.gz ZDEQBHXOYUCUBZ-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228356 1255343336 /nfs/dbraw/zinc/34/33/36/1255343336.db2.gz NKZQFUUIVFYXRN-BZUAXINKSA-N 2 2 365.478 0.346 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228356 1255343343 /nfs/dbraw/zinc/34/33/43/1255343343.db2.gz NKZQFUUIVFYXRN-BZUAXINKSA-N 2 2 365.478 0.346 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228356 1255343351 /nfs/dbraw/zinc/34/33/51/1255343351.db2.gz NKZQFUUIVFYXRN-BZUAXINKSA-N 2 2 365.478 0.346 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228356 1255343359 /nfs/dbraw/zinc/34/33/59/1255343359.db2.gz NKZQFUUIVFYXRN-BZUAXINKSA-N 2 2 365.478 0.346 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)cn1 ZINC001078230482 1255344617 /nfs/dbraw/zinc/34/46/17/1255344617.db2.gz CXHPGVAIPBMRFE-QZTJIDSGSA-N 2 2 357.458 0.457 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)cn1 ZINC001078230482 1255344623 /nfs/dbraw/zinc/34/46/23/1255344623.db2.gz CXHPGVAIPBMRFE-QZTJIDSGSA-N 2 2 357.458 0.457 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418550 1255409902 /nfs/dbraw/zinc/40/99/02/1255409902.db2.gz QIOYYRDUOBYVJN-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418550 1255409906 /nfs/dbraw/zinc/40/99/06/1255409906.db2.gz QIOYYRDUOBYVJN-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231423 1255479773 /nfs/dbraw/zinc/47/97/73/1255479773.db2.gz KFPMEGCKPZQXRT-GVDBMIGSSA-N 2 2 369.481 0.616 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CCCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231423 1255479776 /nfs/dbraw/zinc/47/97/76/1255479776.db2.gz KFPMEGCKPZQXRT-GVDBMIGSSA-N 2 2 369.481 0.616 20 0 FCADLP C[C@H](O)C[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244709 1255484851 /nfs/dbraw/zinc/48/48/51/1255484851.db2.gz AUQASITXPFOYLT-BHYGNILZSA-N 2 2 362.474 0.663 20 0 FCADLP C[C@H](O)C[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244709 1255484852 /nfs/dbraw/zinc/48/48/52/1255484852.db2.gz AUQASITXPFOYLT-BHYGNILZSA-N 2 2 362.474 0.663 20 0 FCADLP CO[C@@H](C)C[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268030 1255494545 /nfs/dbraw/zinc/49/45/45/1255494545.db2.gz IJIWEKKWMSMWEI-HRCADAONSA-N 2 2 362.474 0.927 20 0 FCADLP COC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268390 1255494642 /nfs/dbraw/zinc/49/46/42/1255494642.db2.gz YFKFYEVVODURLD-OWCLPIDISA-N 2 2 362.474 0.927 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079270156 1255496527 /nfs/dbraw/zinc/49/65/27/1255496527.db2.gz DVGJMANVLDSGCK-DLBZAZTESA-N 2 2 362.474 0.284 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001079324351 1255508767 /nfs/dbraw/zinc/50/87/67/1255508767.db2.gz MYKHUSTXMDZGEK-BHYGNILZSA-N 2 2 371.416 0.495 20 0 FCADLP CCN(C(=O)[C@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079947318 1255675913 /nfs/dbraw/zinc/67/59/13/1255675913.db2.gz VQVLTCNBYNDYCX-INMHGKMJSA-N 2 2 359.474 0.913 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982157 1255691221 /nfs/dbraw/zinc/69/12/21/1255691221.db2.gz PKJWILTUEQKGGR-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982157 1255691224 /nfs/dbraw/zinc/69/12/24/1255691224.db2.gz PKJWILTUEQKGGR-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991935 1255698879 /nfs/dbraw/zinc/69/88/79/1255698879.db2.gz WDXSDQSBJPMUJP-BFYDXBDKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991935 1255698886 /nfs/dbraw/zinc/69/88/86/1255698886.db2.gz WDXSDQSBJPMUJP-BFYDXBDKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107302 1255747574 /nfs/dbraw/zinc/74/75/74/1255747574.db2.gz YWBATNNGKCMOIB-JKIFEVAISA-N 2 2 370.457 0.794 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107302 1255747577 /nfs/dbraw/zinc/74/75/77/1255747577.db2.gz YWBATNNGKCMOIB-JKIFEVAISA-N 2 2 370.457 0.794 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164747 1255768294 /nfs/dbraw/zinc/76/82/94/1255768294.db2.gz RAUGPJMCBLEYSR-UYJRAODCSA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164747 1255768299 /nfs/dbraw/zinc/76/82/99/1255768299.db2.gz RAUGPJMCBLEYSR-UYJRAODCSA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164747 1255768304 /nfs/dbraw/zinc/76/83/04/1255768304.db2.gz RAUGPJMCBLEYSR-UYJRAODCSA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164747 1255768310 /nfs/dbraw/zinc/76/83/10/1255768310.db2.gz RAUGPJMCBLEYSR-UYJRAODCSA-N 2 2 359.474 0.220 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679429 1255982195 /nfs/dbraw/zinc/98/21/95/1255982195.db2.gz DPGJFFSODDXKHZ-DAXOMENPSA-N 2 2 356.430 0.581 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679429 1255982200 /nfs/dbraw/zinc/98/22/00/1255982200.db2.gz DPGJFFSODDXKHZ-DAXOMENPSA-N 2 2 356.430 0.581 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783503 1256036589 /nfs/dbraw/zinc/03/65/89/1256036589.db2.gz UOXTZOHNHPGMQX-NVXWUHKLSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783503 1256036591 /nfs/dbraw/zinc/03/65/91/1256036591.db2.gz UOXTZOHNHPGMQX-NVXWUHKLSA-N 2 2 361.490 0.658 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001080850507 1256054646 /nfs/dbraw/zinc/05/46/46/1256054646.db2.gz RYRCAPMFPPOISY-SJKOYZFVSA-N 2 2 355.442 0.996 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001080850507 1256054653 /nfs/dbraw/zinc/05/46/53/1256054653.db2.gz RYRCAPMFPPOISY-SJKOYZFVSA-N 2 2 355.442 0.996 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001081234080 1256213910 /nfs/dbraw/zinc/21/39/10/1256213910.db2.gz UQNCWFNWPSDORN-RCCFBDPRSA-N 2 2 367.453 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481674 1256270353 /nfs/dbraw/zinc/27/03/53/1256270353.db2.gz RFIGFRIXWYIDJH-KURKYZTESA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481674 1256270355 /nfs/dbraw/zinc/27/03/55/1256270355.db2.gz RFIGFRIXWYIDJH-KURKYZTESA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481674 1256270356 /nfs/dbraw/zinc/27/03/56/1256270356.db2.gz RFIGFRIXWYIDJH-KURKYZTESA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481674 1256270359 /nfs/dbraw/zinc/27/03/59/1256270359.db2.gz RFIGFRIXWYIDJH-KURKYZTESA-N 2 2 365.449 0.514 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481714 1256271432 /nfs/dbraw/zinc/27/14/32/1256271432.db2.gz SLPBHBHHVYQFEM-KURKYZTESA-N 2 2 365.449 0.802 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481714 1256271435 /nfs/dbraw/zinc/27/14/35/1256271435.db2.gz SLPBHBHHVYQFEM-KURKYZTESA-N 2 2 365.449 0.802 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481714 1256271438 /nfs/dbraw/zinc/27/14/38/1256271438.db2.gz SLPBHBHHVYQFEM-KURKYZTESA-N 2 2 365.449 0.802 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481714 1256271445 /nfs/dbraw/zinc/27/14/45/1256271445.db2.gz SLPBHBHHVYQFEM-KURKYZTESA-N 2 2 365.449 0.802 20 0 FCADLP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCC(c2c[nH+]cn2C)CC1 ZINC001520901096 1266033379 /nfs/dbraw/zinc/03/33/79/1266033379.db2.gz OIYNUPLBFRYKLL-ZDUSSCGKSA-N 2 2 359.434 0.901 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799354 1256377479 /nfs/dbraw/zinc/37/74/79/1256377479.db2.gz MVIYKONXCFKBKK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799354 1256377485 /nfs/dbraw/zinc/37/74/85/1256377485.db2.gz MVIYKONXCFKBKK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799354 1256377491 /nfs/dbraw/zinc/37/74/91/1256377491.db2.gz MVIYKONXCFKBKK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799354 1256377498 /nfs/dbraw/zinc/37/74/98/1256377498.db2.gz MVIYKONXCFKBKK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856671 1256412569 /nfs/dbraw/zinc/41/25/69/1256412569.db2.gz GEVAAFJCWDISRO-IXDOHACOSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856671 1256412574 /nfs/dbraw/zinc/41/25/74/1256412574.db2.gz GEVAAFJCWDISRO-IXDOHACOSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081856671 1256412575 /nfs/dbraw/zinc/41/25/75/1256412575.db2.gz GEVAAFJCWDISRO-IXDOHACOSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081856671 1256412578 /nfs/dbraw/zinc/41/25/78/1256412578.db2.gz GEVAAFJCWDISRO-IXDOHACOSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853906 1256412641 /nfs/dbraw/zinc/41/26/41/1256412641.db2.gz UBGICFYSKFOBBR-IAGOWNOFSA-N 2 2 371.441 0.614 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853906 1256412645 /nfs/dbraw/zinc/41/26/45/1256412645.db2.gz UBGICFYSKFOBBR-IAGOWNOFSA-N 2 2 371.441 0.614 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880261 1256426745 /nfs/dbraw/zinc/42/67/45/1256426745.db2.gz TWWAZSFEDWSPOQ-KBRIMQKVSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880261 1256426748 /nfs/dbraw/zinc/42/67/48/1256426748.db2.gz TWWAZSFEDWSPOQ-KBRIMQKVSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900042 1256442626 /nfs/dbraw/zinc/44/26/26/1256442626.db2.gz YAWOSLVLRKVXHW-QZTJIDSGSA-N 2 2 368.441 0.740 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900042 1256442628 /nfs/dbraw/zinc/44/26/28/1256442628.db2.gz YAWOSLVLRKVXHW-QZTJIDSGSA-N 2 2 368.441 0.740 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899733 1256443525 /nfs/dbraw/zinc/44/35/25/1256443525.db2.gz GZQYIHNQRJETSD-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899733 1256443526 /nfs/dbraw/zinc/44/35/26/1256443526.db2.gz GZQYIHNQRJETSD-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H](OC)C2)C1=O ZINC001081948112 1256467457 /nfs/dbraw/zinc/46/74/57/1256467457.db2.gz JNUUHYMRBFAHBF-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H](OC)C2)C1=O ZINC001081948112 1256467460 /nfs/dbraw/zinc/46/74/60/1256467460.db2.gz JNUUHYMRBFAHBF-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057731 1256514015 /nfs/dbraw/zinc/51/40/15/1256514015.db2.gz APNDYDKYZLIORL-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057731 1256514019 /nfs/dbraw/zinc/51/40/19/1256514019.db2.gz APNDYDKYZLIORL-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2conc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057731 1256514022 /nfs/dbraw/zinc/51/40/22/1256514022.db2.gz APNDYDKYZLIORL-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2conc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082057731 1256514025 /nfs/dbraw/zinc/51/40/25/1256514025.db2.gz APNDYDKYZLIORL-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066211 1256518464 /nfs/dbraw/zinc/51/84/64/1256518464.db2.gz GHJCGQNSMNUQKK-XJNFMUPTSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066211 1256518468 /nfs/dbraw/zinc/51/84/68/1256518468.db2.gz GHJCGQNSMNUQKK-XJNFMUPTSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066211 1256518473 /nfs/dbraw/zinc/51/84/73/1256518473.db2.gz GHJCGQNSMNUQKK-XJNFMUPTSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066211 1256518478 /nfs/dbraw/zinc/51/84/78/1256518478.db2.gz GHJCGQNSMNUQKK-XJNFMUPTSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137852 1256555391 /nfs/dbraw/zinc/55/53/91/1256555391.db2.gz DGBSUBFPDKUSBL-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137852 1256555392 /nfs/dbraw/zinc/55/53/92/1256555392.db2.gz DGBSUBFPDKUSBL-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137852 1256555394 /nfs/dbraw/zinc/55/53/94/1256555394.db2.gz DGBSUBFPDKUSBL-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137852 1256555396 /nfs/dbraw/zinc/55/53/96/1256555396.db2.gz DGBSUBFPDKUSBL-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138322 1256557333 /nfs/dbraw/zinc/55/73/33/1256557333.db2.gz ZAQOFMYBFXLHSF-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138322 1256557339 /nfs/dbraw/zinc/55/73/39/1256557339.db2.gz ZAQOFMYBFXLHSF-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138322 1256557343 /nfs/dbraw/zinc/55/73/43/1256557343.db2.gz ZAQOFMYBFXLHSF-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138322 1256557349 /nfs/dbraw/zinc/55/73/49/1256557349.db2.gz ZAQOFMYBFXLHSF-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001082198957 1256586307 /nfs/dbraw/zinc/58/63/07/1256586307.db2.gz UCFRZHFJPXYTES-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001082198957 1256586310 /nfs/dbraw/zinc/58/63/10/1256586310.db2.gz UCFRZHFJPXYTES-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001082198849 1256586897 /nfs/dbraw/zinc/58/68/97/1256586897.db2.gz PESPNRHSMWMDGD-FGTMMUONSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001082198849 1256586900 /nfs/dbraw/zinc/58/69/00/1256586900.db2.gz PESPNRHSMWMDGD-FGTMMUONSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001082198849 1256586904 /nfs/dbraw/zinc/58/69/04/1256586904.db2.gz PESPNRHSMWMDGD-FGTMMUONSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001082198849 1256586911 /nfs/dbraw/zinc/58/69/11/1256586911.db2.gz PESPNRHSMWMDGD-FGTMMUONSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291190 1256635775 /nfs/dbraw/zinc/63/57/75/1256635775.db2.gz FPWLDUFOKBVYQY-QZTJIDSGSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291190 1256635783 /nfs/dbraw/zinc/63/57/83/1256635783.db2.gz FPWLDUFOKBVYQY-QZTJIDSGSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290303 1256636565 /nfs/dbraw/zinc/63/65/65/1256636565.db2.gz RZJVBZUSQAOTBJ-BRWVUGGUSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082290303 1256636570 /nfs/dbraw/zinc/63/65/70/1256636570.db2.gz RZJVBZUSQAOTBJ-BRWVUGGUSA-N 2 2 366.506 0.153 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326713 1256668236 /nfs/dbraw/zinc/66/82/36/1256668236.db2.gz ODTMDIXMHDGHLC-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326713 1256668242 /nfs/dbraw/zinc/66/82/42/1256668242.db2.gz ODTMDIXMHDGHLC-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326713 1256668248 /nfs/dbraw/zinc/66/82/48/1256668248.db2.gz ODTMDIXMHDGHLC-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326713 1256668255 /nfs/dbraw/zinc/66/82/55/1256668255.db2.gz ODTMDIXMHDGHLC-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345971 1256690012 /nfs/dbraw/zinc/69/00/12/1256690012.db2.gz JXLZVPQUOIQZAU-QZTJIDSGSA-N 2 2 358.442 0.769 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345971 1256690018 /nfs/dbraw/zinc/69/00/18/1256690018.db2.gz JXLZVPQUOIQZAU-QZTJIDSGSA-N 2 2 358.442 0.769 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368443 1256717183 /nfs/dbraw/zinc/71/71/83/1256717183.db2.gz BORDDFYUIQXPRC-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368443 1256717186 /nfs/dbraw/zinc/71/71/86/1256717186.db2.gz BORDDFYUIQXPRC-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368443 1256717188 /nfs/dbraw/zinc/71/71/88/1256717188.db2.gz BORDDFYUIQXPRC-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368443 1256717192 /nfs/dbraw/zinc/71/71/92/1256717192.db2.gz BORDDFYUIQXPRC-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371506 1256720686 /nfs/dbraw/zinc/72/06/86/1256720686.db2.gz MLLVYMWIJYQNFM-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371506 1256720688 /nfs/dbraw/zinc/72/06/88/1256720688.db2.gz MLLVYMWIJYQNFM-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371310 1256720982 /nfs/dbraw/zinc/72/09/82/1256720982.db2.gz BMPQLVWGXPDNGQ-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371310 1256720986 /nfs/dbraw/zinc/72/09/86/1256720986.db2.gz BMPQLVWGXPDNGQ-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379400 1256730877 /nfs/dbraw/zinc/73/08/77/1256730877.db2.gz WBZUYTHGPLJASL-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379400 1256730879 /nfs/dbraw/zinc/73/08/79/1256730879.db2.gz WBZUYTHGPLJASL-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379400 1256730882 /nfs/dbraw/zinc/73/08/82/1256730882.db2.gz WBZUYTHGPLJASL-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379400 1256730884 /nfs/dbraw/zinc/73/08/84/1256730884.db2.gz WBZUYTHGPLJASL-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082459205 1256770557 /nfs/dbraw/zinc/77/05/57/1256770557.db2.gz RIQAGPZXFMXKET-SRCQZFHVSA-N 2 2 364.446 0.014 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082459205 1256770561 /nfs/dbraw/zinc/77/05/61/1256770561.db2.gz RIQAGPZXFMXKET-SRCQZFHVSA-N 2 2 364.446 0.014 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1C1CC1 ZINC001082458212 1256770998 /nfs/dbraw/zinc/77/09/98/1256770998.db2.gz CIJCGEYTELEHBU-DAXOMENPSA-N 2 2 362.478 0.189 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1C1CC1 ZINC001082458212 1256771001 /nfs/dbraw/zinc/77/10/01/1256771001.db2.gz CIJCGEYTELEHBU-DAXOMENPSA-N 2 2 362.478 0.189 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC001082459075 1256771071 /nfs/dbraw/zinc/77/10/71/1256771071.db2.gz KSRYXIQLQQSANL-FSPWUOQZSA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC001082459075 1256771074 /nfs/dbraw/zinc/77/10/74/1256771074.db2.gz KSRYXIQLQQSANL-FSPWUOQZSA-N 2 2 365.449 0.585 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558429 1256856489 /nfs/dbraw/zinc/85/64/89/1256856489.db2.gz PRFCYEHTTBAYNW-WQVCFCJDSA-N 2 2 361.450 0.141 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)nc1 ZINC001082558887 1256857085 /nfs/dbraw/zinc/85/70/85/1256857085.db2.gz KSRLHKHHNLTCPK-BRWVUGGUSA-N 2 2 371.489 0.548 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)n1 ZINC001082558521 1256858228 /nfs/dbraw/zinc/85/82/28/1256858228.db2.gz VUULORDOXQZAQM-BPLDGKMQSA-N 2 2 361.450 0.141 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082592552 1256905476 /nfs/dbraw/zinc/90/54/76/1256905476.db2.gz LMMCSFVEQRGUGZ-UKRRQHHQSA-N 2 2 365.478 0.673 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082592525 1256905668 /nfs/dbraw/zinc/90/56/68/1256905668.db2.gz KACFVAQYTKTHFN-HZPDHXFCSA-N 2 2 361.490 0.772 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082592560 1256906009 /nfs/dbraw/zinc/90/60/09/1256906009.db2.gz MCHAOKJEHQVDFO-UKRRQHHQSA-N 2 2 365.478 0.673 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001082601505 1256912336 /nfs/dbraw/zinc/91/23/36/1256912336.db2.gz GRMVZACLDLYFRD-JKIFEVAISA-N 2 2 370.457 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082603079 1256914094 /nfs/dbraw/zinc/91/40/94/1256914094.db2.gz IHVGYGFIEDUGEI-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082603684 1256915034 /nfs/dbraw/zinc/91/50/34/1256915034.db2.gz MNGXNADJDHBEEZ-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082604407 1256916099 /nfs/dbraw/zinc/91/60/99/1256916099.db2.gz OEPHFMCGHMVZJK-DJIMGWMZSA-N 2 2 356.474 0.858 20 0 FCADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703447 1256994140 /nfs/dbraw/zinc/99/41/40/1256994140.db2.gz UPKAEYRAYSCOJK-NXHRZFHOSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082703447 1256994146 /nfs/dbraw/zinc/99/41/46/1256994146.db2.gz UPKAEYRAYSCOJK-NXHRZFHOSA-N 2 2 363.506 0.949 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001082741071 1257021643 /nfs/dbraw/zinc/02/16/43/1257021643.db2.gz OPEUCPHALCRBEO-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001082741071 1257021653 /nfs/dbraw/zinc/02/16/53/1257021653.db2.gz OPEUCPHALCRBEO-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120021 1266086552 /nfs/dbraw/zinc/08/65/52/1266086552.db2.gz UAPJBNBPUUIPOC-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120021 1266086560 /nfs/dbraw/zinc/08/65/60/1266086560.db2.gz UAPJBNBPUUIPOC-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120021 1266086566 /nfs/dbraw/zinc/08/65/66/1266086566.db2.gz UAPJBNBPUUIPOC-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120021 1266086572 /nfs/dbraw/zinc/08/65/72/1266086572.db2.gz UAPJBNBPUUIPOC-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082838673 1257093555 /nfs/dbraw/zinc/09/35/55/1257093555.db2.gz IDKDJGJSNDIBSL-UKPHBRMFSA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001082861250 1257112231 /nfs/dbraw/zinc/11/22/31/1257112231.db2.gz RLWFWIJTSFADBD-CZUORRHYSA-N 2 2 359.478 0.946 20 0 FCADLP COc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c(C)n1 ZINC001082861006 1257112361 /nfs/dbraw/zinc/11/23/61/1257112361.db2.gz AEKLVLBRTWTMPX-MLGOLLRUSA-N 2 2 358.446 0.706 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001082884421 1257122057 /nfs/dbraw/zinc/12/20/57/1257122057.db2.gz SNDRRGPUMFTNFA-SRCQZFHVSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc3c2COCC3)C1 ZINC001082921988 1257145043 /nfs/dbraw/zinc/14/50/43/1257145043.db2.gz BBEZYKZDPHXOMV-MLGOLLRUSA-N 2 2 359.430 0.889 20 0 FCADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923676 1257148126 /nfs/dbraw/zinc/14/81/26/1257148126.db2.gz WUIXIIZDGHWOPG-IXDOHACOSA-N 2 2 363.506 0.808 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CCn1cncn1 ZINC001082946756 1257162848 /nfs/dbraw/zinc/16/28/48/1257162848.db2.gz QDYYTHBZXPEGLQ-OIISXLGYSA-N 2 2 357.462 0.413 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083024210 1257213884 /nfs/dbraw/zinc/21/38/84/1257213884.db2.gz FOASIHHPIDJDNU-CEXWTWQISA-N 2 2 359.470 0.685 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083024210 1257213890 /nfs/dbraw/zinc/21/38/90/1257213890.db2.gz FOASIHHPIDJDNU-CEXWTWQISA-N 2 2 359.470 0.685 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083024210 1257213894 /nfs/dbraw/zinc/21/38/94/1257213894.db2.gz FOASIHHPIDJDNU-CEXWTWQISA-N 2 2 359.470 0.685 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083024210 1257213898 /nfs/dbraw/zinc/21/38/98/1257213898.db2.gz FOASIHHPIDJDNU-CEXWTWQISA-N 2 2 359.470 0.685 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034429 1257227004 /nfs/dbraw/zinc/22/70/04/1257227004.db2.gz AKSMGUZUFURAGD-OTWHNJEPSA-N 2 2 359.470 0.471 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034429 1257227010 /nfs/dbraw/zinc/22/70/10/1257227010.db2.gz AKSMGUZUFURAGD-OTWHNJEPSA-N 2 2 359.470 0.471 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034429 1257227016 /nfs/dbraw/zinc/22/70/16/1257227016.db2.gz AKSMGUZUFURAGD-OTWHNJEPSA-N 2 2 359.470 0.471 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034429 1257227025 /nfs/dbraw/zinc/22/70/25/1257227025.db2.gz AKSMGUZUFURAGD-OTWHNJEPSA-N 2 2 359.470 0.471 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001083065689 1257260252 /nfs/dbraw/zinc/26/02/52/1257260252.db2.gz OGIRQAUDGRIPEW-SOUVJXGZSA-N 2 2 371.445 0.033 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001083065689 1257260258 /nfs/dbraw/zinc/26/02/58/1257260258.db2.gz OGIRQAUDGRIPEW-SOUVJXGZSA-N 2 2 371.445 0.033 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083643 1257284382 /nfs/dbraw/zinc/28/43/82/1257284382.db2.gz DHZQHXHSLSZWKS-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083643 1257284389 /nfs/dbraw/zinc/28/43/89/1257284389.db2.gz DHZQHXHSLSZWKS-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083606 1257284570 /nfs/dbraw/zinc/28/45/70/1257284570.db2.gz BTSYCQUFORBEFJ-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083606 1257284573 /nfs/dbraw/zinc/28/45/73/1257284573.db2.gz BTSYCQUFORBEFJ-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC001083083574 1257284696 /nfs/dbraw/zinc/28/46/96/1257284696.db2.gz AGZKWRLORBNEPI-GBESFXJTSA-N 2 2 356.470 0.835 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC001083083574 1257284700 /nfs/dbraw/zinc/28/47/00/1257284700.db2.gz AGZKWRLORBNEPI-GBESFXJTSA-N 2 2 356.470 0.835 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089511 1257290828 /nfs/dbraw/zinc/29/08/28/1257290828.db2.gz JBKMHFPSLNKBMM-HYVNUMGLSA-N 2 2 362.474 0.708 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089511 1257290833 /nfs/dbraw/zinc/29/08/33/1257290833.db2.gz JBKMHFPSLNKBMM-HYVNUMGLSA-N 2 2 362.474 0.708 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC001521280201 1266108446 /nfs/dbraw/zinc/10/84/46/1266108446.db2.gz VLKQXVBCQHOVGJ-KRWDZBQOSA-N 2 2 371.485 0.758 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145285 1257400935 /nfs/dbraw/zinc/40/09/35/1257400935.db2.gz ATGNENCJZAIIIL-JCGIZDLHSA-N 2 2 362.474 0.708 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145285 1257400939 /nfs/dbraw/zinc/40/09/39/1257400939.db2.gz ATGNENCJZAIIIL-JCGIZDLHSA-N 2 2 362.474 0.708 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001330890856 1266112671 /nfs/dbraw/zinc/11/26/71/1266112671.db2.gz PZYYMWHSIMVXDV-QGZVFWFLSA-N 2 2 367.457 0.884 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC001330890856 1266112675 /nfs/dbraw/zinc/11/26/75/1266112675.db2.gz PZYYMWHSIMVXDV-QGZVFWFLSA-N 2 2 367.457 0.884 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083164427 1257425643 /nfs/dbraw/zinc/42/56/43/1257425643.db2.gz BYWJREKTYPPDTM-FCGDIQPGSA-N 2 2 359.470 0.726 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083164427 1257425647 /nfs/dbraw/zinc/42/56/47/1257425647.db2.gz BYWJREKTYPPDTM-FCGDIQPGSA-N 2 2 359.470 0.726 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083164427 1257425653 /nfs/dbraw/zinc/42/56/53/1257425653.db2.gz BYWJREKTYPPDTM-FCGDIQPGSA-N 2 2 359.470 0.726 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083164427 1257425656 /nfs/dbraw/zinc/42/56/56/1257425656.db2.gz BYWJREKTYPPDTM-FCGDIQPGSA-N 2 2 359.470 0.726 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733281 1257470329 /nfs/dbraw/zinc/47/03/29/1257470329.db2.gz IEMSJNNPHZNICL-CVEARBPZSA-N 2 2 361.446 0.092 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733281 1257470331 /nfs/dbraw/zinc/47/03/31/1257470331.db2.gz IEMSJNNPHZNICL-CVEARBPZSA-N 2 2 361.446 0.092 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779337 1257520906 /nfs/dbraw/zinc/52/09/06/1257520906.db2.gz XBNDDFXSPLYQRG-OLMNPRSZSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779337 1257520912 /nfs/dbraw/zinc/52/09/12/1257520912.db2.gz XBNDDFXSPLYQRG-OLMNPRSZSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779337 1257520916 /nfs/dbraw/zinc/52/09/16/1257520916.db2.gz XBNDDFXSPLYQRG-OLMNPRSZSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779337 1257520921 /nfs/dbraw/zinc/52/09/21/1257520921.db2.gz XBNDDFXSPLYQRG-OLMNPRSZSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083781540 1257525598 /nfs/dbraw/zinc/52/55/98/1257525598.db2.gz LMIKNRLSEIKXMD-CABCVRRESA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083781540 1257525604 /nfs/dbraw/zinc/52/56/04/1257525604.db2.gz LMIKNRLSEIKXMD-CABCVRRESA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083781540 1257525612 /nfs/dbraw/zinc/52/56/12/1257525612.db2.gz LMIKNRLSEIKXMD-CABCVRRESA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083781540 1257525618 /nfs/dbraw/zinc/52/56/18/1257525618.db2.gz LMIKNRLSEIKXMD-CABCVRRESA-N 2 2 365.478 0.204 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781724 1257526628 /nfs/dbraw/zinc/52/66/28/1257526628.db2.gz STOKYDZIZPKZFL-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781724 1257526632 /nfs/dbraw/zinc/52/66/32/1257526632.db2.gz STOKYDZIZPKZFL-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781724 1257526637 /nfs/dbraw/zinc/52/66/37/1257526637.db2.gz STOKYDZIZPKZFL-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781724 1257526640 /nfs/dbraw/zinc/52/66/40/1257526640.db2.gz STOKYDZIZPKZFL-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831505 1257584339 /nfs/dbraw/zinc/58/43/39/1257584339.db2.gz PBGKCXITYUZWQV-JQHSSLGASA-N 2 2 363.506 0.654 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831505 1257584343 /nfs/dbraw/zinc/58/43/43/1257584343.db2.gz PBGKCXITYUZWQV-JQHSSLGASA-N 2 2 363.506 0.654 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001331030607 1266132478 /nfs/dbraw/zinc/13/24/78/1266132478.db2.gz MKMPZOAHVULJSO-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001331030607 1266132480 /nfs/dbraw/zinc/13/24/80/1266132480.db2.gz MKMPZOAHVULJSO-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915482 1257697945 /nfs/dbraw/zinc/69/79/45/1257697945.db2.gz TVJWQBCDBDORTA-QGTPRVQTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915482 1257697949 /nfs/dbraw/zinc/69/79/49/1257697949.db2.gz TVJWQBCDBDORTA-QGTPRVQTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936958 1257722275 /nfs/dbraw/zinc/72/22/75/1257722275.db2.gz DYDASQXCEYEDRH-MOPGFXCFSA-N 2 2 358.486 0.865 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936958 1257722280 /nfs/dbraw/zinc/72/22/80/1257722280.db2.gz DYDASQXCEYEDRH-MOPGFXCFSA-N 2 2 358.486 0.865 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083955086 1257744606 /nfs/dbraw/zinc/74/46/06/1257744606.db2.gz WAUVNQWTQHIDTI-AEFFLSMTSA-N 2 2 357.458 0.390 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083955086 1257744609 /nfs/dbraw/zinc/74/46/09/1257744609.db2.gz WAUVNQWTQHIDTI-AEFFLSMTSA-N 2 2 357.458 0.390 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957661 1257746921 /nfs/dbraw/zinc/74/69/21/1257746921.db2.gz JXIBRQOZPLHKGO-IKGGRYGDSA-N 2 2 363.433 0.116 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957661 1257746924 /nfs/dbraw/zinc/74/69/24/1257746924.db2.gz JXIBRQOZPLHKGO-IKGGRYGDSA-N 2 2 363.433 0.116 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959205 1257749187 /nfs/dbraw/zinc/74/91/87/1257749187.db2.gz LPPWZQQYIDVWNU-SJORKVTESA-N 2 2 365.424 0.764 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959205 1257749191 /nfs/dbraw/zinc/74/91/91/1257749191.db2.gz LPPWZQQYIDVWNU-SJORKVTESA-N 2 2 365.424 0.764 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962034 1257753738 /nfs/dbraw/zinc/75/37/38/1257753738.db2.gz SKOJPYXSQKBVHV-LXZKKBNFSA-N 2 2 362.474 0.738 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962034 1257753740 /nfs/dbraw/zinc/75/37/40/1257753740.db2.gz SKOJPYXSQKBVHV-LXZKKBNFSA-N 2 2 362.474 0.738 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083997763 1257784974 /nfs/dbraw/zinc/78/49/74/1257784974.db2.gz LXYBBKGPNQFPEU-NXHRZFHOSA-N 2 2 358.442 0.026 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083997763 1257784978 /nfs/dbraw/zinc/78/49/78/1257784978.db2.gz LXYBBKGPNQFPEU-NXHRZFHOSA-N 2 2 358.442 0.026 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084250429 1257989147 /nfs/dbraw/zinc/98/91/47/1257989147.db2.gz GHMMRGUFSZBZHO-ZTFGCOKTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084250429 1257989149 /nfs/dbraw/zinc/98/91/49/1257989149.db2.gz GHMMRGUFSZBZHO-ZTFGCOKTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084250429 1257989152 /nfs/dbraw/zinc/98/91/52/1257989152.db2.gz GHMMRGUFSZBZHO-ZTFGCOKTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084250429 1257989156 /nfs/dbraw/zinc/98/91/56/1257989156.db2.gz GHMMRGUFSZBZHO-ZTFGCOKTSA-N 2 2 362.474 0.909 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450477 1258118620 /nfs/dbraw/zinc/11/86/20/1258118620.db2.gz JPTFMTFOYVBEQY-ARFHVFGLSA-N 2 2 366.506 0.012 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450477 1258118623 /nfs/dbraw/zinc/11/86/23/1258118623.db2.gz JPTFMTFOYVBEQY-ARFHVFGLSA-N 2 2 366.506 0.012 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084452828 1258120064 /nfs/dbraw/zinc/12/00/64/1258120064.db2.gz YZWCVHBWODLCTQ-OAUYIBNBSA-N 2 2 353.426 0.988 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084452828 1258120067 /nfs/dbraw/zinc/12/00/67/1258120067.db2.gz YZWCVHBWODLCTQ-OAUYIBNBSA-N 2 2 353.426 0.988 20 0 FCADLP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465826 1258120862 /nfs/dbraw/zinc/12/08/62/1258120862.db2.gz VTRRYKJBKMVNEF-JTDSTZFVSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465826 1258120867 /nfs/dbraw/zinc/12/08/67/1258120867.db2.gz VTRRYKJBKMVNEF-JTDSTZFVSA-N 2 2 368.485 0.954 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084466192 1258120935 /nfs/dbraw/zinc/12/09/35/1258120935.db2.gz FVCUCPDWPQVLTQ-HLLBOEOZSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084466192 1258120938 /nfs/dbraw/zinc/12/09/38/1258120938.db2.gz FVCUCPDWPQVLTQ-HLLBOEOZSA-N 2 2 355.446 0.270 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001084545440 1258164200 /nfs/dbraw/zinc/16/42/00/1258164200.db2.gz KDRBNQRNOPOVPG-ZHALLVOQSA-N 2 2 360.502 0.626 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001084545440 1258164205 /nfs/dbraw/zinc/16/42/05/1258164205.db2.gz KDRBNQRNOPOVPG-ZHALLVOQSA-N 2 2 360.502 0.626 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662478 1258224597 /nfs/dbraw/zinc/22/45/97/1258224597.db2.gz MARPRQNDDNIHKY-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662478 1258224601 /nfs/dbraw/zinc/22/46/01/1258224601.db2.gz MARPRQNDDNIHKY-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662478 1258224604 /nfs/dbraw/zinc/22/46/04/1258224604.db2.gz MARPRQNDDNIHKY-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084662478 1258224608 /nfs/dbraw/zinc/22/46/08/1258224608.db2.gz MARPRQNDDNIHKY-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001084663773 1258226996 /nfs/dbraw/zinc/22/69/96/1258226996.db2.gz QIFQCQVKNDNPGS-JFIYKMOQSA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001084663773 1258227003 /nfs/dbraw/zinc/22/70/03/1258227003.db2.gz QIFQCQVKNDNPGS-JFIYKMOQSA-N 2 2 371.485 0.519 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001084739016 1258280322 /nfs/dbraw/zinc/28/03/22/1258280322.db2.gz NUNLWTPMWSLVSD-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001084739016 1258280327 /nfs/dbraw/zinc/28/03/27/1258280327.db2.gz NUNLWTPMWSLVSD-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775492 1258317503 /nfs/dbraw/zinc/31/75/03/1258317503.db2.gz IODZZYBSYUCZBC-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775492 1258317512 /nfs/dbraw/zinc/31/75/12/1258317512.db2.gz IODZZYBSYUCZBC-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775492 1258317518 /nfs/dbraw/zinc/31/75/18/1258317518.db2.gz IODZZYBSYUCZBC-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001084775492 1258317527 /nfs/dbraw/zinc/31/75/27/1258317527.db2.gz IODZZYBSYUCZBC-LZLYRXPVSA-N 2 2 362.518 0.920 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776369 1258318480 /nfs/dbraw/zinc/31/84/80/1258318480.db2.gz WSCSLACKGCPVAG-RBSFLKMASA-N 2 2 369.473 0.999 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776369 1258318486 /nfs/dbraw/zinc/31/84/86/1258318486.db2.gz WSCSLACKGCPVAG-RBSFLKMASA-N 2 2 369.473 0.999 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084805212 1258346586 /nfs/dbraw/zinc/34/65/86/1258346586.db2.gz DLAINKJINHRDFB-SJLPKXTDSA-N 2 2 371.489 0.794 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001084805212 1258346594 /nfs/dbraw/zinc/34/65/94/1258346594.db2.gz DLAINKJINHRDFB-SJLPKXTDSA-N 2 2 371.489 0.794 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084833438 1258380126 /nfs/dbraw/zinc/38/01/26/1258380126.db2.gz DKWJZKFGZUZHGO-IXDOHACOSA-N 2 2 359.474 0.734 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084833438 1258380132 /nfs/dbraw/zinc/38/01/32/1258380132.db2.gz DKWJZKFGZUZHGO-IXDOHACOSA-N 2 2 359.474 0.734 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910798 1258434072 /nfs/dbraw/zinc/43/40/72/1258434072.db2.gz CCAOWIKRYMKHHG-JLSDUUJJSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084910798 1258434075 /nfs/dbraw/zinc/43/40/75/1258434075.db2.gz CCAOWIKRYMKHHG-JLSDUUJJSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084910798 1258434082 /nfs/dbraw/zinc/43/40/82/1258434082.db2.gz CCAOWIKRYMKHHG-JLSDUUJJSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084910798 1258434087 /nfs/dbraw/zinc/43/40/87/1258434087.db2.gz CCAOWIKRYMKHHG-JLSDUUJJSA-N 2 2 362.474 0.990 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911515 1258434501 /nfs/dbraw/zinc/43/45/01/1258434501.db2.gz IZFSVOQGUWPCDH-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911515 1258434509 /nfs/dbraw/zinc/43/45/09/1258434509.db2.gz IZFSVOQGUWPCDH-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911515 1258434513 /nfs/dbraw/zinc/43/45/13/1258434513.db2.gz IZFSVOQGUWPCDH-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911515 1258434519 /nfs/dbraw/zinc/43/45/19/1258434519.db2.gz IZFSVOQGUWPCDH-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1)[NH+](C)C ZINC001084964484 1258478115 /nfs/dbraw/zinc/47/81/15/1258478115.db2.gz AWMXXRDXOUGQDQ-YCPHGPKFSA-N 2 2 364.494 0.117 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1)[NH+](C)C ZINC001084964484 1258478118 /nfs/dbraw/zinc/47/81/18/1258478118.db2.gz AWMXXRDXOUGQDQ-YCPHGPKFSA-N 2 2 364.494 0.117 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001084974718 1258486257 /nfs/dbraw/zinc/48/62/57/1258486257.db2.gz QWBLIBGMHUFBIZ-INMHGKMJSA-N 2 2 359.474 0.457 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001084974718 1258486259 /nfs/dbraw/zinc/48/62/59/1258486259.db2.gz QWBLIBGMHUFBIZ-INMHGKMJSA-N 2 2 359.474 0.457 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001085001887 1258510212 /nfs/dbraw/zinc/51/02/12/1258510212.db2.gz LOMVBAPKVNRRBA-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001085001887 1258510219 /nfs/dbraw/zinc/51/02/19/1258510219.db2.gz LOMVBAPKVNRRBA-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031963 1258535243 /nfs/dbraw/zinc/53/52/43/1258535243.db2.gz GZZBJTMIZXVGCR-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031963 1258535245 /nfs/dbraw/zinc/53/52/45/1258535245.db2.gz GZZBJTMIZXVGCR-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031963 1258535248 /nfs/dbraw/zinc/53/52/48/1258535248.db2.gz GZZBJTMIZXVGCR-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085031963 1258535250 /nfs/dbraw/zinc/53/52/50/1258535250.db2.gz GZZBJTMIZXVGCR-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088183713 1258704217 /nfs/dbraw/zinc/70/42/17/1258704217.db2.gz SHDZLRNTOBFWND-CVEARBPZSA-N 2 2 359.474 0.663 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CC[C@@H]2C1 ZINC001088183713 1258704219 /nfs/dbraw/zinc/70/42/19/1258704219.db2.gz SHDZLRNTOBFWND-CVEARBPZSA-N 2 2 359.474 0.663 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21 ZINC001090331367 1258776507 /nfs/dbraw/zinc/77/65/07/1258776507.db2.gz NSYQCRVQUFYKJT-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21 ZINC001090331367 1258776510 /nfs/dbraw/zinc/77/65/10/1258776510.db2.gz NSYQCRVQUFYKJT-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001092748402 1258825291 /nfs/dbraw/zinc/82/52/91/1258825291.db2.gz XDPPEURXOHUTFQ-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001092748402 1258825301 /nfs/dbraw/zinc/82/53/01/1258825301.db2.gz XDPPEURXOHUTFQ-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782700 1258844853 /nfs/dbraw/zinc/84/48/53/1258844853.db2.gz WKJHNIIMOXIILK-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782700 1258844857 /nfs/dbraw/zinc/84/48/57/1258844857.db2.gz WKJHNIIMOXIILK-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782081 1258845180 /nfs/dbraw/zinc/84/51/80/1258845180.db2.gz DLVVWLTVGHQKSK-TZMCWYRMSA-N 2 2 354.418 0.356 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782081 1258845186 /nfs/dbraw/zinc/84/51/86/1258845186.db2.gz DLVVWLTVGHQKSK-TZMCWYRMSA-N 2 2 354.418 0.356 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001098286897 1258900185 /nfs/dbraw/zinc/90/01/85/1258900185.db2.gz RUKHQHANVZCTQM-SRABZTEZSA-N 2 2 359.474 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001098286897 1258900189 /nfs/dbraw/zinc/90/01/89/1258900189.db2.gz RUKHQHANVZCTQM-SRABZTEZSA-N 2 2 359.474 0.898 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1CC[NH2+]CCF ZINC001104439664 1258916619 /nfs/dbraw/zinc/91/66/19/1258916619.db2.gz LRMGWJSELFBJFB-TVFCKZIOSA-N 2 2 371.497 0.910 20 0 FCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621334 1258929727 /nfs/dbraw/zinc/92/97/27/1258929727.db2.gz FYUDIGVSRLMELM-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621334 1258929734 /nfs/dbraw/zinc/92/97/34/1258929734.db2.gz FYUDIGVSRLMELM-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106656246 1258933503 /nfs/dbraw/zinc/93/35/03/1258933503.db2.gz SWPUEKKWOQEKLG-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001106705159 1258943995 /nfs/dbraw/zinc/94/39/95/1258943995.db2.gz URFLVNUQZZBGNQ-HZSPNIEDSA-N 2 2 371.445 0.454 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106748419 1258953263 /nfs/dbraw/zinc/95/32/63/1258953263.db2.gz ZUJIRZAWXNYVEN-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106748419 1258953267 /nfs/dbraw/zinc/95/32/67/1258953267.db2.gz ZUJIRZAWXNYVEN-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(N)=O ZINC001106830855 1258973097 /nfs/dbraw/zinc/97/30/97/1258973097.db2.gz YMEPIPPQRZYFFP-IIAWOOMASA-N 2 2 370.457 0.829 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874450 1258984669 /nfs/dbraw/zinc/98/46/69/1258984669.db2.gz INRDIFPLMXUGBF-OWCLPIDISA-N 2 2 363.506 0.807 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874717 1258984950 /nfs/dbraw/zinc/98/49/50/1258984950.db2.gz QSUYFSDRZSQUTN-OWCLPIDISA-N 2 2 363.506 0.904 20 0 FCADLP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937180 1258999989 /nfs/dbraw/zinc/99/99/89/1258999989.db2.gz MQULKSGEIYVBQJ-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937179 1259000282 /nfs/dbraw/zinc/00/02/82/1259000282.db2.gz MQULKSGEIYVBQJ-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001107078970 1259029621 /nfs/dbraw/zinc/02/96/21/1259029621.db2.gz QXFXOFYMOAKFRT-RBSFLKMASA-N 2 2 371.445 0.384 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439146 1259088328 /nfs/dbraw/zinc/08/83/28/1259088328.db2.gz SRPMHSPRGHWQPR-UWWQBHOKSA-N 2 2 361.494 0.411 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439146 1259088334 /nfs/dbraw/zinc/08/83/34/1259088334.db2.gz SRPMHSPRGHWQPR-UWWQBHOKSA-N 2 2 361.494 0.411 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107491644 1259102091 /nfs/dbraw/zinc/10/20/91/1259102091.db2.gz KQKPBAJJHRGQIX-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107491644 1259102095 /nfs/dbraw/zinc/10/20/95/1259102095.db2.gz KQKPBAJJHRGQIX-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107574177 1259120820 /nfs/dbraw/zinc/12/08/20/1259120820.db2.gz RIPNFAIPNOEKRX-KVSKMBFKSA-N 2 2 364.490 0.958 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107574177 1259120822 /nfs/dbraw/zinc/12/08/22/1259120822.db2.gz RIPNFAIPNOEKRX-KVSKMBFKSA-N 2 2 364.490 0.958 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107574177 1259120826 /nfs/dbraw/zinc/12/08/26/1259120826.db2.gz RIPNFAIPNOEKRX-KVSKMBFKSA-N 2 2 364.490 0.958 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107574177 1259120828 /nfs/dbraw/zinc/12/08/28/1259120828.db2.gz RIPNFAIPNOEKRX-KVSKMBFKSA-N 2 2 364.490 0.958 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2 ZINC001107655157 1259143716 /nfs/dbraw/zinc/14/37/16/1259143716.db2.gz QTVNNIQPBRVXKV-VQIMIIECSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CCNC(=O)C1CC1)CC2 ZINC001107655157 1259143718 /nfs/dbraw/zinc/14/37/18/1259143718.db2.gz QTVNNIQPBRVXKV-VQIMIIECSA-N 2 2 359.474 0.770 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112543191 1259165413 /nfs/dbraw/zinc/16/54/13/1259165413.db2.gz NIYZEIZDLKEMLL-GJYPPUQNSA-N 2 2 364.490 0.816 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112543191 1259165415 /nfs/dbraw/zinc/16/54/15/1259165415.db2.gz NIYZEIZDLKEMLL-GJYPPUQNSA-N 2 2 364.490 0.816 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(=O)NC1CC1 ZINC001127548230 1259179194 /nfs/dbraw/zinc/17/91/94/1259179194.db2.gz ZPRHYORTNDLBTG-IJEWVQPXSA-N 2 2 359.474 0.527 20 0 FCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127571716 1259181875 /nfs/dbraw/zinc/18/18/75/1259181875.db2.gz ZMHNIYKOJAYASR-MAZHCROVSA-N 2 2 365.478 0.892 20 0 FCADLP C[C@H](O)CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC001128350869 1259196221 /nfs/dbraw/zinc/19/62/21/1259196221.db2.gz KTGDLSNUSYKGGQ-ZMSDIMECSA-N 2 2 363.506 0.816 20 0 FCADLP C[C@H](O)CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC001128350869 1259196224 /nfs/dbraw/zinc/19/62/24/1259196224.db2.gz KTGDLSNUSYKGGQ-ZMSDIMECSA-N 2 2 363.506 0.816 20 0 FCADLP C[C@H](O)CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2C1 ZINC001128350869 1259196226 /nfs/dbraw/zinc/19/62/26/1259196226.db2.gz KTGDLSNUSYKGGQ-ZMSDIMECSA-N 2 2 363.506 0.816 20 0 FCADLP C[C@H](O)CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC001128350869 1259196231 /nfs/dbraw/zinc/19/62/31/1259196231.db2.gz KTGDLSNUSYKGGQ-ZMSDIMECSA-N 2 2 363.506 0.816 20 0 FCADLP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851574 1259249528 /nfs/dbraw/zinc/24/95/28/1259249528.db2.gz SLYLDSIDUBZVRB-IXDOHACOSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851574 1259249530 /nfs/dbraw/zinc/24/95/30/1259249530.db2.gz SLYLDSIDUBZVRB-IXDOHACOSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851574 1259249533 /nfs/dbraw/zinc/24/95/33/1259249533.db2.gz SLYLDSIDUBZVRB-IXDOHACOSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851574 1259249538 /nfs/dbraw/zinc/24/95/38/1259249538.db2.gz SLYLDSIDUBZVRB-IXDOHACOSA-N 2 2 364.494 0.386 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043463 1259297081 /nfs/dbraw/zinc/29/70/81/1259297081.db2.gz PQDRUAZUSVXHAM-FGTMMUONSA-N 2 2 369.473 0.555 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043463 1259297088 /nfs/dbraw/zinc/29/70/88/1259297088.db2.gz PQDRUAZUSVXHAM-FGTMMUONSA-N 2 2 369.473 0.555 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043504 1259297842 /nfs/dbraw/zinc/29/78/42/1259297842.db2.gz RKADRKPDALQUTM-SQNIBIBYSA-N 2 2 369.473 0.555 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043504 1259297848 /nfs/dbraw/zinc/29/78/48/1259297848.db2.gz RKADRKPDALQUTM-SQNIBIBYSA-N 2 2 369.473 0.555 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211715787 1259427913 /nfs/dbraw/zinc/42/79/13/1259427913.db2.gz OKZZNFKVIICNLV-ZWKOTPCHSA-N 2 2 369.469 0.683 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001212253860 1259442035 /nfs/dbraw/zinc/44/20/35/1259442035.db2.gz KCYINMCQDZUISW-IXDOHACOSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001212253860 1259442041 /nfs/dbraw/zinc/44/20/41/1259442041.db2.gz KCYINMCQDZUISW-IXDOHACOSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001212253860 1259442045 /nfs/dbraw/zinc/44/20/45/1259442045.db2.gz KCYINMCQDZUISW-IXDOHACOSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001212253860 1259442051 /nfs/dbraw/zinc/44/20/51/1259442051.db2.gz KCYINMCQDZUISW-IXDOHACOSA-N 2 2 366.506 0.201 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410248 1259494765 /nfs/dbraw/zinc/49/47/65/1259494765.db2.gz PCKNOVASSDWWOG-INMHGKMJSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410248 1259494768 /nfs/dbraw/zinc/49/47/68/1259494768.db2.gz PCKNOVASSDWWOG-INMHGKMJSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212411039 1259495204 /nfs/dbraw/zinc/49/52/04/1259495204.db2.gz ZSSMGKNKPZRPBV-JFIYKMOQSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212411039 1259495211 /nfs/dbraw/zinc/49/52/11/1259495211.db2.gz ZSSMGKNKPZRPBV-JFIYKMOQSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430402 1259502800 /nfs/dbraw/zinc/50/28/00/1259502800.db2.gz MFGAXPFDKYANOQ-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430402 1259502803 /nfs/dbraw/zinc/50/28/03/1259502803.db2.gz MFGAXPFDKYANOQ-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430402 1259502807 /nfs/dbraw/zinc/50/28/07/1259502807.db2.gz MFGAXPFDKYANOQ-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430402 1259502809 /nfs/dbraw/zinc/50/28/09/1259502809.db2.gz MFGAXPFDKYANOQ-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001212483285 1259520055 /nfs/dbraw/zinc/52/00/55/1259520055.db2.gz FKIWKHLVSAFLRG-CGTJXYLNSA-N 2 2 364.490 0.934 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001212483285 1259520057 /nfs/dbraw/zinc/52/00/57/1259520057.db2.gz FKIWKHLVSAFLRG-CGTJXYLNSA-N 2 2 364.490 0.934 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495860 1259524849 /nfs/dbraw/zinc/52/48/49/1259524849.db2.gz QWUUKXWFATUDPG-IAGOWNOFSA-N 2 2 368.478 0.982 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495860 1259524855 /nfs/dbraw/zinc/52/48/55/1259524855.db2.gz QWUUKXWFATUDPG-IAGOWNOFSA-N 2 2 368.478 0.982 20 0 FCADLP c1cc(C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199940 1259568929 /nfs/dbraw/zinc/56/89/29/1259568929.db2.gz JWJPOHMXTHGAKA-FQEVSTJZSA-N 3 2 360.502 0.677 20 0 FCADLP c1cc(C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235199940 1259568935 /nfs/dbraw/zinc/56/89/35/1259568935.db2.gz JWJPOHMXTHGAKA-FQEVSTJZSA-N 3 2 360.502 0.677 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001235518860 1259573965 /nfs/dbraw/zinc/57/39/65/1259573965.db2.gz LVGIJMQHGUVENR-CTNGQTDRSA-N 2 2 374.529 0.717 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001235518860 1259573969 /nfs/dbraw/zinc/57/39/69/1259573969.db2.gz LVGIJMQHGUVENR-CTNGQTDRSA-N 2 2 374.529 0.717 20 0 FCADLP Cn1ccc(CN2CCOCC23CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC3)n1 ZINC001235607828 1259579931 /nfs/dbraw/zinc/57/99/31/1259579931.db2.gz OIMIPTRDLTZGOG-KRWDZBQOSA-N 2 2 363.506 0.811 20 0 FCADLP COC(=O)[C@@H]1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1[NH3+] ZINC001236345161 1259589195 /nfs/dbraw/zinc/58/91/95/1259589195.db2.gz DARXQZOKGOZRJD-MSOLQXFVSA-N 2 2 363.458 0.330 20 0 FCADLP OC1C[NH+](Cc2ccc(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)cc2)C1 ZINC001243638360 1259638346 /nfs/dbraw/zinc/63/83/46/1259638346.db2.gz GUQCKKXJTUUXKT-UHFFFAOYSA-N 2 2 367.453 0.760 20 0 FCADLP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC001335392992 1259641154 /nfs/dbraw/zinc/64/11/54/1259641154.db2.gz SWOQBDZFVDDWJT-KRWDZBQOSA-N 2 2 356.478 0.875 20 0 FCADLP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC001335392992 1259641163 /nfs/dbraw/zinc/64/11/63/1259641163.db2.gz SWOQBDZFVDDWJT-KRWDZBQOSA-N 2 2 356.478 0.875 20 0 FCADLP CCCOC[C@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001245957063 1259641718 /nfs/dbraw/zinc/64/17/18/1259641718.db2.gz MPORBVQPLANDPO-OAHLLOKOSA-N 2 2 353.467 0.099 20 0 FCADLP CCOC[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691140 1259660397 /nfs/dbraw/zinc/66/03/97/1259660397.db2.gz DLJNTFCDZKMFOL-CVEARBPZSA-N 2 2 360.506 0.718 20 0 FCADLP CCOC[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691140 1259660406 /nfs/dbraw/zinc/66/04/06/1259660406.db2.gz DLJNTFCDZKMFOL-CVEARBPZSA-N 2 2 360.506 0.718 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)C[NH2+]1 ZINC001246706789 1259663521 /nfs/dbraw/zinc/66/35/21/1259663521.db2.gz MDODYHQSGKPOBI-OKYOBFRVSA-N 2 2 374.485 0.569 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)C[NH2+]1 ZINC001246706789 1259663531 /nfs/dbraw/zinc/66/35/31/1259663531.db2.gz MDODYHQSGKPOBI-OKYOBFRVSA-N 2 2 374.485 0.569 20 0 FCADLP C[C@@H]1C[C@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC[NH2+]1 ZINC001246703216 1259664240 /nfs/dbraw/zinc/66/42/40/1259664240.db2.gz RAVWUXOAIUMLLY-HUUCEWRRSA-N 2 2 360.506 0.306 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717864 1259668150 /nfs/dbraw/zinc/66/81/50/1259668150.db2.gz XFNDEMKZAHYBKE-XDNAFOTISA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717864 1259668160 /nfs/dbraw/zinc/66/81/60/1259668160.db2.gz XFNDEMKZAHYBKE-XDNAFOTISA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717864 1259668170 /nfs/dbraw/zinc/66/81/70/1259668170.db2.gz XFNDEMKZAHYBKE-XDNAFOTISA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)CN1 ZINC001246717864 1259668178 /nfs/dbraw/zinc/66/81/78/1259668178.db2.gz XFNDEMKZAHYBKE-XDNAFOTISA-N 2 2 361.490 0.467 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C[NH2+]1 ZINC001246735536 1259672927 /nfs/dbraw/zinc/67/29/27/1259672927.db2.gz UEKUFBGJSURXFF-MLHJIOFPSA-N 2 2 360.458 0.260 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C[NH2+]1 ZINC001246735536 1259672934 /nfs/dbraw/zinc/67/29/34/1259672934.db2.gz UEKUFBGJSURXFF-MLHJIOFPSA-N 2 2 360.458 0.260 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246751227 1259679813 /nfs/dbraw/zinc/67/98/13/1259679813.db2.gz OGKPPUDCBYETGI-JWTNVVGKSA-N 3 2 364.534 0.772 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246751227 1259679821 /nfs/dbraw/zinc/67/98/21/1259679821.db2.gz OGKPPUDCBYETGI-JWTNVVGKSA-N 3 2 364.534 0.772 20 0 FCADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754325 1259681335 /nfs/dbraw/zinc/68/13/35/1259681335.db2.gz QFQWGVXGKMEITB-SFHVURJKSA-N 3 2 358.534 0.945 20 0 FCADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754325 1259681346 /nfs/dbraw/zinc/68/13/46/1259681346.db2.gz QFQWGVXGKMEITB-SFHVURJKSA-N 3 2 358.534 0.945 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246772734 1259688292 /nfs/dbraw/zinc/68/82/92/1259688292.db2.gz GPZGZVKMKNPIGO-AWEZNQCLSA-N 2 2 357.462 0.157 20 0 FCADLP COC(=O)c1ccc(C[C@H](C)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246925798 1259695593 /nfs/dbraw/zinc/69/55/93/1259695593.db2.gz POHNZNFDDHEWTK-HNNXBMFYSA-N 3 2 364.490 0.520 20 0 FCADLP COC(=O)c1ccc(C[C@H](C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246925798 1259695601 /nfs/dbraw/zinc/69/56/01/1259695601.db2.gz POHNZNFDDHEWTK-HNNXBMFYSA-N 3 2 364.490 0.520 20 0 FCADLP C[NH2+]CC[C@H](C)[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246910774 1259695628 /nfs/dbraw/zinc/69/56/28/1259695628.db2.gz LNUORJHQZIFPIX-JYJNAYRXSA-N 3 2 373.492 0.200 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001247330950 1259698662 /nfs/dbraw/zinc/69/86/62/1259698662.db2.gz FQCHGRNZEVVVPL-AWEZNQCLSA-N 2 2 366.381 0.775 20 0 FCADLP COc1ncc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cc1C ZINC001247335842 1259701448 /nfs/dbraw/zinc/70/14/48/1259701448.db2.gz SRXCYNUUPORTSK-LBPRGKRZSA-N 2 2 357.374 0.358 20 0 FCADLP O[C@@H](CN1CC[N@@H+]2C[C@@H](Oc3ccccc3)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001251017530 1259730237 /nfs/dbraw/zinc/73/02/37/1259730237.db2.gz SBUBCEYIYJTQOU-NSHGMRRFSA-N 2 2 361.486 0.517 20 0 FCADLP O[C@@H](CN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001251017530 1259730242 /nfs/dbraw/zinc/73/02/42/1259730242.db2.gz SBUBCEYIYJTQOU-NSHGMRRFSA-N 2 2 361.486 0.517 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001252502863 1259793814 /nfs/dbraw/zinc/79/38/14/1259793814.db2.gz FBSRKIOLIXEOGF-QGZVFWFLSA-N 2 2 362.478 0.917 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001252502863 1259793820 /nfs/dbraw/zinc/79/38/20/1259793820.db2.gz FBSRKIOLIXEOGF-QGZVFWFLSA-N 2 2 362.478 0.917 20 0 FCADLP O=C1COCCN1C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252933773 1259812931 /nfs/dbraw/zinc/81/29/31/1259812931.db2.gz MZBKHNKGALNNRD-NRFANRHFSA-N 2 2 373.497 0.947 20 0 FCADLP O=C1COCCN1C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252933773 1259812935 /nfs/dbraw/zinc/81/29/35/1259812935.db2.gz MZBKHNKGALNNRD-NRFANRHFSA-N 2 2 373.497 0.947 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001253204055 1259830732 /nfs/dbraw/zinc/83/07/32/1259830732.db2.gz PENDVXCPAWBGMI-ILXRZTDVSA-N 2 2 373.494 0.830 20 0 FCADLP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388834 1259837623 /nfs/dbraw/zinc/83/76/23/1259837623.db2.gz OIIKNUNKNQOVIQ-QGZVFWFLSA-N 3 2 364.534 0.560 20 0 FCADLP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388834 1259837632 /nfs/dbraw/zinc/83/76/32/1259837632.db2.gz OIIKNUNKNQOVIQ-QGZVFWFLSA-N 3 2 364.534 0.560 20 0 FCADLP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335791163 1259840355 /nfs/dbraw/zinc/84/03/55/1259840355.db2.gz SGFUYHUVUNSKPG-DZGCQCFKSA-N 2 2 362.478 0.173 20 0 FCADLP CN(C(=O)[C@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335791163 1259840367 /nfs/dbraw/zinc/84/03/67/1259840367.db2.gz SGFUYHUVUNSKPG-DZGCQCFKSA-N 2 2 362.478 0.173 20 0 FCADLP C[C@](O)(C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1)C(=O)OCc1ccccc1 ZINC001253655866 1259847361 /nfs/dbraw/zinc/84/73/61/1259847361.db2.gz IFBPXJRFRJKUCJ-IBGZPJMESA-N 2 2 374.441 0.543 20 0 FCADLP C[C@](O)(C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1)C(=O)OCc1ccccc1 ZINC001253655866 1259847368 /nfs/dbraw/zinc/84/73/68/1259847368.db2.gz IFBPXJRFRJKUCJ-IBGZPJMESA-N 2 2 374.441 0.543 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4n[nH]c(=O)n4c3)CC2)CC1 ZINC001253793983 1259854987 /nfs/dbraw/zinc/85/49/87/1259854987.db2.gz HRGAGCPQKOORQK-UHFFFAOYSA-N 2 2 358.446 0.723 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001335828967 1259860540 /nfs/dbraw/zinc/86/05/40/1259860540.db2.gz AIJRXFFEPYWKED-GJZGRUSLSA-N 2 2 364.498 0.051 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001335828967 1259860541 /nfs/dbraw/zinc/86/05/41/1259860541.db2.gz AIJRXFFEPYWKED-GJZGRUSLSA-N 2 2 364.498 0.051 20 0 FCADLP COc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001253962038 1259866752 /nfs/dbraw/zinc/86/67/52/1259866752.db2.gz UZSIJFJUPFUECH-HZPDHXFCSA-N 2 2 365.474 0.577 20 0 FCADLP COc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001253962038 1259866763 /nfs/dbraw/zinc/86/67/63/1259866763.db2.gz UZSIJFJUPFUECH-HZPDHXFCSA-N 2 2 365.474 0.577 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930121 1260257387 /nfs/dbraw/zinc/25/73/87/1260257387.db2.gz VYNIAYUQNOMBBG-RHSMWYFYSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930121 1260257395 /nfs/dbraw/zinc/25/73/95/1260257395.db2.gz VYNIAYUQNOMBBG-RHSMWYFYSA-N 2 2 360.458 0.839 20 0 FCADLP [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC001336975237 1260272975 /nfs/dbraw/zinc/27/29/75/1260272975.db2.gz KKYYHSRIBKSTLS-DRRRZMAASA-N 2 2 354.520 0.763 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)CC3)[C@H]2C1 ZINC001272676477 1260476707 /nfs/dbraw/zinc/47/67/07/1260476707.db2.gz GKDZVBRYAIKACK-KBPBESRZSA-N 2 2 353.426 0.845 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)CC3)[C@H]2C1 ZINC001272676477 1260476715 /nfs/dbraw/zinc/47/67/15/1260476715.db2.gz GKDZVBRYAIKACK-KBPBESRZSA-N 2 2 353.426 0.845 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)CN2CC[NH+](C)CC2)C3)n(C)n1 ZINC001272867085 1260520145 /nfs/dbraw/zinc/52/01/45/1260520145.db2.gz CAGQITSJVRZRJX-AEFFLSMTSA-N 2 2 360.506 0.009 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)CN2CC[NH+](C)CC2)C3)n(C)n1 ZINC001272867085 1260520153 /nfs/dbraw/zinc/52/01/53/1260520153.db2.gz CAGQITSJVRZRJX-AEFFLSMTSA-N 2 2 360.506 0.009 20 0 FCADLP Cc1[nH+]ccn1CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC001338072127 1260550672 /nfs/dbraw/zinc/55/06/72/1260550672.db2.gz BETAMPBBLRYPEM-INIZCTEOSA-N 2 2 359.478 0.721 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(CC(N)=O)CC3)CC2)CC1 ZINC001338075324 1260551641 /nfs/dbraw/zinc/55/16/41/1260551641.db2.gz HVMHTBBQPAMPRK-UHFFFAOYSA-N 2 2 365.522 0.842 20 0 FCADLP CCCCOC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777775 1260668896 /nfs/dbraw/zinc/66/88/96/1260668896.db2.gz HMCPWAUMVRKDOX-HKUYNNGSSA-N 2 2 364.490 0.985 20 0 FCADLP CCCCOC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777775 1260668903 /nfs/dbraw/zinc/66/89/03/1260668903.db2.gz HMCPWAUMVRKDOX-HKUYNNGSSA-N 2 2 364.490 0.985 20 0 FCADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001278907315 1260757478 /nfs/dbraw/zinc/75/74/78/1260757478.db2.gz NSUYTEWMDGJBTQ-JQHSSLGASA-N 2 2 361.486 0.530 20 0 FCADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001278907315 1260757486 /nfs/dbraw/zinc/75/74/86/1260757486.db2.gz NSUYTEWMDGJBTQ-JQHSSLGASA-N 2 2 361.486 0.530 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)C[NH+]2CCC2)CC1 ZINC001279240403 1260805614 /nfs/dbraw/zinc/80/56/14/1260805614.db2.gz XHMZYWYSWKHLST-LVFSCSRESA-N 2 2 362.518 0.776 20 0 FCADLP O=c1[nH]cc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834615 /nfs/dbraw/zinc/83/46/15/1260834615.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 3 2 358.446 0.928 20 0 FCADLP O=c1[nH]cc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834631 /nfs/dbraw/zinc/83/46/31/1260834631.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 3 2 358.446 0.928 20 0 FCADLP O=c1[nH]cc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834637 /nfs/dbraw/zinc/83/46/37/1260834637.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 3 2 358.446 0.928 20 0 FCADLP O=c1[nH]cc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c(=O)[nH]1 ZINC001279309423 1260834644 /nfs/dbraw/zinc/83/46/44/1260834644.db2.gz RLXGRLBWXWICCS-GASCZTMLSA-N 3 2 358.446 0.928 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001279313165 1260835797 /nfs/dbraw/zinc/83/57/97/1260835797.db2.gz IUDNYVFNAUVYGU-GASCZTMLSA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001279313165 1260835803 /nfs/dbraw/zinc/83/58/03/1260835803.db2.gz IUDNYVFNAUVYGU-GASCZTMLSA-N 2 2 365.474 0.856 20 0 FCADLP Cc1[nH+]c[nH]c1CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001279355472 1260847855 /nfs/dbraw/zinc/84/78/55/1260847855.db2.gz FCCBWMXIEJXTER-SOLBZPMBSA-N 2 2 359.474 0.614 20 0 FCADLP COCC[NH+]1CCC([NH+]2CCC(C(=O)NCc3noc(C)n3)CC2)CC1 ZINC001279722844 1260922038 /nfs/dbraw/zinc/92/20/38/1260922038.db2.gz TUPHJBHGMWETAH-UHFFFAOYSA-N 2 2 365.478 0.817 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CCn3ccnc3)C[C@@H]21 ZINC001280039917 1260982543 /nfs/dbraw/zinc/98/25/43/1260982543.db2.gz USGSOQADLXTVTP-BZSNNMDCSA-N 2 2 359.474 0.279 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CCn3ccnc3)C[C@@H]21 ZINC001280039917 1260982547 /nfs/dbraw/zinc/98/25/47/1260982547.db2.gz USGSOQADLXTVTP-BZSNNMDCSA-N 2 2 359.474 0.279 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991377 /nfs/dbraw/zinc/99/13/77/1260991377.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 3 2 359.518 0.933 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991381 /nfs/dbraw/zinc/99/13/81/1260991381.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 3 2 359.518 0.933 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991390 /nfs/dbraw/zinc/99/13/90/1260991390.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 3 2 359.518 0.933 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)CC1 ZINC001280074708 1260991394 /nfs/dbraw/zinc/99/13/94/1260991394.db2.gz RBVVLXCYAPGXSP-HDICACEKSA-N 3 2 359.518 0.933 20 0 FCADLP COCCC[NH+]1CC2(C1)CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)O2 ZINC001280097328 1261001859 /nfs/dbraw/zinc/00/18/59/1261001859.db2.gz GROLCLXXBKWZMD-INIZCTEOSA-N 2 2 365.478 0.653 20 0 FCADLP NC(=O)[C@@H]1COCCC12C[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001280288244 1261046875 /nfs/dbraw/zinc/04/68/75/1261046875.db2.gz IRZGNNRWAPNNGK-SFHVURJKSA-N 2 2 359.470 0.843 20 0 FCADLP Cc1[nH+]c[nH]c1CN1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280344174 1261060619 /nfs/dbraw/zinc/06/06/19/1261060619.db2.gz LOORMMSWLCYFSO-UHFFFAOYSA-N 2 2 358.450 0.149 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)[NH+](C)C ZINC001281847062 1261229808 /nfs/dbraw/zinc/22/98/08/1261229808.db2.gz CDFCPXZJGJFMCZ-BZUAXINKSA-N 2 2 365.478 0.035 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281847827 1261230587 /nfs/dbraw/zinc/23/05/87/1261230587.db2.gz KCQYWQOZUMPLNX-BFYDXBDKSA-N 2 2 365.478 0.271 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281847827 1261230592 /nfs/dbraw/zinc/23/05/92/1261230592.db2.gz KCQYWQOZUMPLNX-BFYDXBDKSA-N 2 2 365.478 0.271 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001282080830 1261336873 /nfs/dbraw/zinc/33/68/73/1261336873.db2.gz QJIVCSYYSKOBRF-JKJDWNRSSA-N 2 2 361.490 0.875 20 0 FCADLP CCc1ccc([C@@H](CNS(=O)(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC001474776319 1261511008 /nfs/dbraw/zinc/51/10/08/1261511008.db2.gz RBNPICCAWCXEJM-QGZVFWFLSA-N 2 2 354.520 0.934 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526514 1261730284 /nfs/dbraw/zinc/73/02/84/1261730284.db2.gz LZXGHGXOKREBAD-OKZBNKHCSA-N 2 2 368.570 0.192 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526514 1261730293 /nfs/dbraw/zinc/73/02/93/1261730293.db2.gz LZXGHGXOKREBAD-OKZBNKHCSA-N 2 2 368.570 0.192 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCn1cc[nH+]c1 ZINC001580292281 1278100994 /nfs/dbraw/zinc/10/09/94/1278100994.db2.gz TVLMOSGNDMFDIQ-LBPRGKRZSA-N 2 2 355.406 0.277 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NC(=O)Nc3ccccc3)C2)nn1 ZINC001580349420 1278148981 /nfs/dbraw/zinc/14/89/81/1278148981.db2.gz XMRHEHFCLFVWLV-HNNXBMFYSA-N 2 2 357.418 0.722 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C2)nn1 ZINC001580349420 1278148984 /nfs/dbraw/zinc/14/89/84/1278148984.db2.gz XMRHEHFCLFVWLV-HNNXBMFYSA-N 2 2 357.418 0.722 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001297255350 1262856976 /nfs/dbraw/zinc/85/69/76/1262856976.db2.gz CMWQPNPTPFRXRY-HUUCEWRRSA-N 2 2 359.474 0.440 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](COC)c3nn[nH]n3)CC2)CC1 ZINC001303580083 1263104913 /nfs/dbraw/zinc/10/49/13/1263104913.db2.gz OUTQXQDENGIMJO-OAHLLOKOSA-N 2 2 365.482 0.200 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC001311863174 1263265956 /nfs/dbraw/zinc/26/59/56/1263265956.db2.gz SHIDICCURFRAJO-UHFFFAOYSA-N 2 2 372.473 0.753 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001318863442 1263619167 /nfs/dbraw/zinc/61/91/67/1263619167.db2.gz WBYVOOZAEARODG-NRFANRHFSA-N 2 2 374.529 0.766 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001318863442 1263619174 /nfs/dbraw/zinc/61/91/74/1263619174.db2.gz WBYVOOZAEARODG-NRFANRHFSA-N 2 2 374.529 0.766 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@@H+]1C ZINC001580386524 1278208589 /nfs/dbraw/zinc/20/85/89/1278208589.db2.gz WONIUJJCOYGEKQ-CXAGYDPISA-N 2 2 369.473 0.850 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001580386524 1278208594 /nfs/dbraw/zinc/20/85/94/1278208594.db2.gz WONIUJJCOYGEKQ-CXAGYDPISA-N 2 2 369.473 0.850 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373500 1263685146 /nfs/dbraw/zinc/68/51/46/1263685146.db2.gz UEZKWNURLJIVHH-KBPBESRZSA-N 2 2 354.414 0.797 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373500 1263685156 /nfs/dbraw/zinc/68/51/56/1263685156.db2.gz UEZKWNURLJIVHH-KBPBESRZSA-N 2 2 354.414 0.797 20 0 FCADLP CC1CC[NH+](CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001496573801 1263884242 /nfs/dbraw/zinc/88/42/42/1263884242.db2.gz RMEAKJFSZUJYLA-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001320937453 1263884555 /nfs/dbraw/zinc/88/45/55/1263884555.db2.gz IVLBMOYKIFSLPR-KRWDZBQOSA-N 2 2 371.441 0.831 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001321105793 1263908144 /nfs/dbraw/zinc/90/81/44/1263908144.db2.gz HKWZMCRGOFKSJL-UHFFFAOYSA-N 2 2 369.506 0.175 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001321598240 1264006701 /nfs/dbraw/zinc/00/67/01/1264006701.db2.gz LNXRIRANFMRBFZ-INIZCTEOSA-N 2 2 359.474 0.575 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001321598240 1264006708 /nfs/dbraw/zinc/00/67/08/1264006708.db2.gz LNXRIRANFMRBFZ-INIZCTEOSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001321856031 1264082836 /nfs/dbraw/zinc/08/28/36/1264082836.db2.gz JLNDWOHJJWFGGB-CABCVRRESA-N 2 2 363.462 0.005 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001501207261 1264109872 /nfs/dbraw/zinc/10/98/72/1264109872.db2.gz KCHKIRBJFJQVCF-OAGGEKHMSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001501207261 1264109877 /nfs/dbraw/zinc/10/98/77/1264109877.db2.gz KCHKIRBJFJQVCF-OAGGEKHMSA-N 2 2 361.490 0.925 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777751 1264262981 /nfs/dbraw/zinc/26/29/81/1264262981.db2.gz BACQFRMVQFGVQF-AWEZNQCLSA-N 2 2 372.460 0.775 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777751 1264262984 /nfs/dbraw/zinc/26/29/84/1264262984.db2.gz BACQFRMVQFGVQF-AWEZNQCLSA-N 2 2 372.460 0.775 20 0 FCADLP C[C@@H](CO)CCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001323716882 1264493978 /nfs/dbraw/zinc/49/39/78/1264493978.db2.gz UZUXVUYLNIJUGH-OAHLLOKOSA-N 2 2 368.522 0.186 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC001323782003 1264513363 /nfs/dbraw/zinc/51/33/63/1264513363.db2.gz RPLLTWPDSQHDQZ-HZPDHXFCSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC001323782003 1264513371 /nfs/dbraw/zinc/51/33/71/1264513371.db2.gz RPLLTWPDSQHDQZ-HZPDHXFCSA-N 2 2 373.501 0.968 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001325682318 1264967209 /nfs/dbraw/zinc/96/72/09/1264967209.db2.gz WRIIRNRUBPLZGS-OAHLLOKOSA-N 2 2 362.478 0.418 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014706 1265044187 /nfs/dbraw/zinc/04/41/87/1265044187.db2.gz ZZOPBQAEVYRRDW-CQSZACIVSA-N 3 2 361.494 0.101 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014706 1265044191 /nfs/dbraw/zinc/04/41/91/1265044191.db2.gz ZZOPBQAEVYRRDW-CQSZACIVSA-N 3 2 361.494 0.101 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH+]cn1C ZINC001580406886 1278244630 /nfs/dbraw/zinc/24/46/30/1278244630.db2.gz CCPRPDZUXXQIEY-GFCCVEGCSA-N 2 2 354.418 0.437 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCOC(C)(C)C1 ZINC001327076874 1265231541 /nfs/dbraw/zinc/23/15/41/1265231541.db2.gz SPNMEURVWWDHGD-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCOC(C)(C)C1 ZINC001327076874 1265231554 /nfs/dbraw/zinc/23/15/54/1265231554.db2.gz SPNMEURVWWDHGD-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3(C4CC4)CCC3)C2)CC1 ZINC001327328841 1265286489 /nfs/dbraw/zinc/28/64/89/1265286489.db2.gz OXJOUQZVKGSPAP-INIZCTEOSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3(C4CC4)CCC3)C2)CC1 ZINC001327328841 1265286498 /nfs/dbraw/zinc/28/64/98/1265286498.db2.gz OXJOUQZVKGSPAP-INIZCTEOSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001327676335 1265393343 /nfs/dbraw/zinc/39/33/43/1265393343.db2.gz VNEPZHRVVIYQMR-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCC[NH+]1Cc3ccccc3C1)C2 ZINC001332694767 1266463022 /nfs/dbraw/zinc/46/30/22/1266463022.db2.gz YGTFXGUBSCUEQY-PXNSSMCTSA-N 2 2 356.470 0.706 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001580417728 1278270344 /nfs/dbraw/zinc/27/03/44/1278270344.db2.gz JUKNZXJMWUPZOP-VXGBXAGGSA-N 2 2 367.417 0.059 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001334138533 1266850572 /nfs/dbraw/zinc/85/05/72/1266850572.db2.gz FRWHAPPCBKCZHD-UHFFFAOYSA-N 2 2 357.462 0.294 20 0 FCADLP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001334338039 1266954748 /nfs/dbraw/zinc/95/47/48/1266954748.db2.gz QJWCNJGPCPNVRL-RBSFLKMASA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[N@@H+]1C ZINC001528216755 1266955908 /nfs/dbraw/zinc/95/59/08/1266955908.db2.gz QXIJZCUGEHWJII-GDBMZVCRSA-N 2 2 370.457 0.796 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[N@H+]1C ZINC001528216755 1266955914 /nfs/dbraw/zinc/95/59/14/1266955914.db2.gz QXIJZCUGEHWJII-GDBMZVCRSA-N 2 2 370.457 0.796 20 0 FCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580446714 1278310236 /nfs/dbraw/zinc/31/02/36/1278310236.db2.gz JPYPWNOCBPCSIN-KBPBESRZSA-N 2 2 369.473 0.897 20 0 FCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580446714 1278310249 /nfs/dbraw/zinc/31/02/49/1278310249.db2.gz JPYPWNOCBPCSIN-KBPBESRZSA-N 2 2 369.473 0.897 20 0 FCADLP C[NH+]1CCC([C@H]2OCC[C@H]2C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001549114416 1267814381 /nfs/dbraw/zinc/81/43/81/1267814381.db2.gz RQXRHXJDXRRLKT-XMTFNYHQSA-N 2 2 351.491 0.713 20 0 FCADLP C[NH+]1CCC([C@H]2OCC[C@H]2C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001549114416 1267814389 /nfs/dbraw/zinc/81/43/89/1267814389.db2.gz RQXRHXJDXRRLKT-XMTFNYHQSA-N 2 2 351.491 0.713 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549152273 1267830596 /nfs/dbraw/zinc/83/05/96/1267830596.db2.gz BPQWQVZDCLIOPT-LRCAOYNASA-N 2 2 360.462 0.522 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549152273 1267830607 /nfs/dbraw/zinc/83/06/07/1267830607.db2.gz BPQWQVZDCLIOPT-LRCAOYNASA-N 2 2 360.462 0.522 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC001549158497 1267836916 /nfs/dbraw/zinc/83/69/16/1267836916.db2.gz LVCLFNRATDHIRR-WMLDXEAASA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001549158322 1267837914 /nfs/dbraw/zinc/83/79/14/1267837914.db2.gz IVTWFMHEGBHEFS-XJIUQZFPSA-N 2 2 360.462 0.666 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001549158322 1267837932 /nfs/dbraw/zinc/83/79/32/1267837932.db2.gz IVTWFMHEGBHEFS-XJIUQZFPSA-N 2 2 360.462 0.666 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549163309 1267843328 /nfs/dbraw/zinc/84/33/28/1267843328.db2.gz VNXONTZVRKWNGI-VBQJREDUSA-N 2 2 362.478 0.864 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549163309 1267843335 /nfs/dbraw/zinc/84/33/35/1267843335.db2.gz VNXONTZVRKWNGI-VBQJREDUSA-N 2 2 362.478 0.864 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCC1CCC(C[NH3+])CC1 ZINC001549176850 1267853626 /nfs/dbraw/zinc/85/36/26/1267853626.db2.gz YSOGRKRPGDYIKL-GROLMSMHSA-N 2 2 362.478 0.804 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001549176450 1267854064 /nfs/dbraw/zinc/85/40/64/1267854064.db2.gz GJRLCKPRKUPEHA-RVKKMQEKSA-N 2 2 374.489 0.913 20 0 FCADLP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001549365617 1267910782 /nfs/dbraw/zinc/91/07/82/1267910782.db2.gz PSCXEZNLXUNWFN-ZACQAIPSSA-N 2 2 364.490 0.090 20 0 FCADLP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001549365617 1267910787 /nfs/dbraw/zinc/91/07/87/1267910787.db2.gz PSCXEZNLXUNWFN-ZACQAIPSSA-N 2 2 364.490 0.090 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH+](C)CC1 ZINC001549487894 1267925831 /nfs/dbraw/zinc/92/58/31/1267925831.db2.gz GLQJOTVQAGQAAT-ZACQAIPSSA-N 2 2 350.507 0.382 20 0 FCADLP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001549741619 1267984605 /nfs/dbraw/zinc/98/46/05/1267984605.db2.gz SOMNDRMFWZHCQJ-UONOGXRCSA-N 2 2 369.416 0.866 20 0 FCADLP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC001549741621 1267984680 /nfs/dbraw/zinc/98/46/80/1267984680.db2.gz SOMNDRMFWZHCQJ-ZIAGYGMSSA-N 2 2 369.416 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001549808047 1268001759 /nfs/dbraw/zinc/00/17/59/1268001759.db2.gz OBYSEGRRMDFWAB-WBOJAVRRSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001549808047 1268001768 /nfs/dbraw/zinc/00/17/68/1268001768.db2.gz OBYSEGRRMDFWAB-WBOJAVRRSA-N 2 2 360.462 0.475 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)N(C(C)=O)C1 ZINC001549879996 1268013645 /nfs/dbraw/zinc/01/36/45/1268013645.db2.gz IISJYGSXXLYIHJ-HOTGVXAUSA-N 2 2 361.446 0.408 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009274 1268047788 /nfs/dbraw/zinc/04/77/88/1268047788.db2.gz YHNAAXIDFBSRNS-WOJBJXKFSA-N 2 2 372.513 0.736 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009274 1268047797 /nfs/dbraw/zinc/04/77/97/1268047797.db2.gz YHNAAXIDFBSRNS-WOJBJXKFSA-N 2 2 372.513 0.736 20 0 FCADLP Cn1cc[nH+]c1Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C ZINC001338718415 1268060054 /nfs/dbraw/zinc/06/00/54/1268060054.db2.gz QSIHJLUSSHEAOG-UHFFFAOYSA-N 2 2 359.478 0.688 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](Oc4ccccc4)[C@@H](O)C3)cn2)CC1 ZINC001550126730 1268077711 /nfs/dbraw/zinc/07/77/11/1268077711.db2.gz FTFKMVZFBOQFKA-RBUKOAKNSA-N 2 2 369.469 0.853 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H](Oc4ccccc4)[C@@H](O)C3)cn2)CC1 ZINC001550126730 1268077721 /nfs/dbraw/zinc/07/77/21/1268077721.db2.gz FTFKMVZFBOQFKA-RBUKOAKNSA-N 2 2 369.469 0.853 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001550565869 1268134006 /nfs/dbraw/zinc/13/40/06/1268134006.db2.gz FZTNOYUJNQIGDG-BRSBDYLESA-N 2 2 351.491 0.951 20 0 FCADLP Cc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC(=O)N[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001550726526 1268156529 /nfs/dbraw/zinc/15/65/29/1268156529.db2.gz HHTDBVPJFRBUSQ-HZPDHXFCSA-N 2 2 372.473 0.362 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C[C@H]21 ZINC001550762946 1268164671 /nfs/dbraw/zinc/16/46/71/1268164671.db2.gz QOUNWBAOQAEREK-BZUAXINKSA-N 2 2 352.479 0.260 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C[C@H]21 ZINC001550762946 1268164679 /nfs/dbraw/zinc/16/46/79/1268164679.db2.gz QOUNWBAOQAEREK-BZUAXINKSA-N 2 2 352.479 0.260 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)CC1 ZINC001551007408 1268192559 /nfs/dbraw/zinc/19/25/59/1268192559.db2.gz IZFSFVHGMCLZEF-YEWWUXTCSA-N 2 2 363.462 0.130 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)CC1 ZINC001551007408 1268192565 /nfs/dbraw/zinc/19/25/65/1268192565.db2.gz IZFSFVHGMCLZEF-YEWWUXTCSA-N 2 2 363.462 0.130 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498717 1268261867 /nfs/dbraw/zinc/26/18/67/1268261867.db2.gz QLLANVKYDROYSI-ALKREAHSSA-N 2 2 360.458 0.872 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498717 1268261872 /nfs/dbraw/zinc/26/18/72/1268261872.db2.gz QLLANVKYDROYSI-ALKREAHSSA-N 2 2 360.458 0.872 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585160 1268278542 /nfs/dbraw/zinc/27/85/42/1268278542.db2.gz ZQIYSFYAZJCPDO-IPYPFGDCSA-N 2 2 373.448 0.177 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934875 1268312116 /nfs/dbraw/zinc/31/21/16/1268312116.db2.gz CSRZDMUIJPKLAC-ZJIFWQFVSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934875 1268312128 /nfs/dbraw/zinc/31/21/28/1268312128.db2.gz CSRZDMUIJPKLAC-ZJIFWQFVSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936296 1268314573 /nfs/dbraw/zinc/31/45/73/1268314573.db2.gz GLFILKLPUYEIGU-MJBXVCDLSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936296 1268314582 /nfs/dbraw/zinc/31/45/82/1268314582.db2.gz GLFILKLPUYEIGU-MJBXVCDLSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551938591 1268315522 /nfs/dbraw/zinc/31/55/22/1268315522.db2.gz KKZDBEZJMZZXJU-JJXSEGSLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551938591 1268315531 /nfs/dbraw/zinc/31/55/31/1268315531.db2.gz KKZDBEZJMZZXJU-JJXSEGSLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938954 1268317217 /nfs/dbraw/zinc/31/72/17/1268317217.db2.gz KWINLPDGSCTNOQ-RBSFLKMASA-N 2 2 360.462 0.396 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938954 1268317230 /nfs/dbraw/zinc/31/72/30/1268317230.db2.gz KWINLPDGSCTNOQ-RBSFLKMASA-N 2 2 360.462 0.396 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001552013046 1268352351 /nfs/dbraw/zinc/35/23/51/1268352351.db2.gz XXBTZAPMFNEPOP-BRWVUGGUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCO[C@H]1C1CC[NH2+]CC1 ZINC001552077988 1268360434 /nfs/dbraw/zinc/36/04/34/1268360434.db2.gz GRSPGXGXHIRDQK-SPUZQDLCSA-N 2 2 366.506 0.648 20 0 FCADLP Cc1cccc(C[NH+]2CCN(c3nnc(C4=[NH+]O[C@@H](CO)C4)n3C)CC2)c1 ZINC001339899798 1268364121 /nfs/dbraw/zinc/36/41/21/1268364121.db2.gz BTGNCKHBMGGPRH-MRXNPFEDSA-N 2 2 370.457 0.931 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552168063 1268401063 /nfs/dbraw/zinc/40/10/63/1268401063.db2.gz XABGVWJPOMPJBX-HZPDHXFCSA-N 2 2 357.520 0.247 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)CC1 ZINC001552168772 1268401109 /nfs/dbraw/zinc/40/11/09/1268401109.db2.gz GHGUQJQXYLBRTQ-INIZCTEOSA-N 3 2 361.494 0.101 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001340027548 1268410099 /nfs/dbraw/zinc/41/00/99/1268410099.db2.gz TULZFSSUBBUFLR-INIZCTEOSA-N 2 2 352.504 0.882 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC001552276155 1268430805 /nfs/dbraw/zinc/43/08/05/1268430805.db2.gz HFEYSECEWCIZSU-VQTJNVASSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC001552276155 1268430810 /nfs/dbraw/zinc/43/08/10/1268430810.db2.gz HFEYSECEWCIZSU-VQTJNVASSA-N 2 2 359.470 0.950 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001580499723 1278409165 /nfs/dbraw/zinc/40/91/65/1278409165.db2.gz QYJFCKJZUGYMOK-JTQLQIEISA-N 2 2 372.408 0.874 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)n1 ZINC001552310496 1268438089 /nfs/dbraw/zinc/43/80/89/1268438089.db2.gz CNYIKQALBFXHQT-RBSFLKMASA-N 2 2 367.519 0.992 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)n1 ZINC001552310496 1268438094 /nfs/dbraw/zinc/43/80/94/1268438094.db2.gz CNYIKQALBFXHQT-RBSFLKMASA-N 2 2 367.519 0.992 20 0 FCADLP O=C([C@H]1CCCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001552423027 1268459822 /nfs/dbraw/zinc/45/98/22/1268459822.db2.gz HQJYBBQUJJKKHE-INIZCTEOSA-N 2 2 374.489 0.352 20 0 FCADLP O=C([C@H]1CCCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001552423027 1268459828 /nfs/dbraw/zinc/45/98/28/1268459828.db2.gz HQJYBBQUJJKKHE-INIZCTEOSA-N 2 2 374.489 0.352 20 0 FCADLP Cc1c(C(=O)N(C)CC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552427376 1268460309 /nfs/dbraw/zinc/46/03/09/1268460309.db2.gz CKQLNGYFFQYTKR-KCQAQPDRSA-N 2 2 350.467 0.302 20 0 FCADLP Cc1c(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437422 1268463730 /nfs/dbraw/zinc/46/37/30/1268463730.db2.gz XMORCWMNKHXQMS-MRXNPFEDSA-N 2 2 372.477 0.203 20 0 FCADLP Cc1c(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552437422 1268463734 /nfs/dbraw/zinc/46/37/34/1268463734.db2.gz XMORCWMNKHXQMS-MRXNPFEDSA-N 2 2 372.477 0.203 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001552597416 1268481803 /nfs/dbraw/zinc/48/18/03/1268481803.db2.gz MXOZJOQTXOZASM-HOTGVXAUSA-N 2 2 372.477 0.550 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H]1n1ccnn1 ZINC001552607805 1268490545 /nfs/dbraw/zinc/49/05/45/1268490545.db2.gz CLIOEOHAIOWFHK-GJZGRUSLSA-N 2 2 358.450 0.508 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552693170 1268522465 /nfs/dbraw/zinc/52/24/65/1268522465.db2.gz QKAXJUUBDPLOBJ-UKRRQHHQSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552693170 1268522476 /nfs/dbraw/zinc/52/24/76/1268522476.db2.gz QKAXJUUBDPLOBJ-UKRRQHHQSA-N 2 2 350.467 0.561 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@H]1n1ccnn1 ZINC001552796949 1268549777 /nfs/dbraw/zinc/54/97/77/1268549777.db2.gz BURYRXPBSNSJKQ-QZTJIDSGSA-N 2 2 369.473 0.790 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@@H]1n1ccnn1 ZINC001552796951 1268550357 /nfs/dbraw/zinc/55/03/57/1268550357.db2.gz BURYRXPBSNSJKQ-ROUUACIJSA-N 2 2 369.473 0.790 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552831569 1268555784 /nfs/dbraw/zinc/55/57/84/1268555784.db2.gz SIKUJJFDPUUXMH-KSSFIOAISA-N 2 2 355.446 0.544 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552830178 1268555908 /nfs/dbraw/zinc/55/59/08/1268555908.db2.gz GXWQOTPVVPJXIK-LPHOPBHVSA-N 2 2 350.507 0.921 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552830178 1268555913 /nfs/dbraw/zinc/55/59/13/1268555913.db2.gz GXWQOTPVVPJXIK-LPHOPBHVSA-N 2 2 350.507 0.921 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987008 1268573472 /nfs/dbraw/zinc/57/34/72/1268573472.db2.gz JIIOFRWJYASINL-HOTGVXAUSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987008 1268573478 /nfs/dbraw/zinc/57/34/78/1268573478.db2.gz JIIOFRWJYASINL-HOTGVXAUSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987008 1268573484 /nfs/dbraw/zinc/57/34/84/1268573484.db2.gz JIIOFRWJYASINL-HOTGVXAUSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC001552987008 1268573491 /nfs/dbraw/zinc/57/34/91/1268573491.db2.gz JIIOFRWJYASINL-HOTGVXAUSA-N 2 2 363.506 0.789 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC1CCOCC1 ZINC001340533103 1268579466 /nfs/dbraw/zinc/57/94/66/1268579466.db2.gz KBHJNGWHBCXCFK-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC1CCOCC1 ZINC001340533103 1268579474 /nfs/dbraw/zinc/57/94/74/1268579474.db2.gz KBHJNGWHBCXCFK-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001553106197 1268590133 /nfs/dbraw/zinc/59/01/33/1268590133.db2.gz IVKCCKRLGKFHGW-BZSNNMDCSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001553113260 1268591681 /nfs/dbraw/zinc/59/16/81/1268591681.db2.gz SHYCKEXDLKZOBD-BZSNNMDCSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553125712 1268593243 /nfs/dbraw/zinc/59/32/43/1268593243.db2.gz XHGLPQOIVFMUCB-XMTFNYHQSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553125712 1268593249 /nfs/dbraw/zinc/59/32/49/1268593249.db2.gz XHGLPQOIVFMUCB-XMTFNYHQSA-N 2 2 351.491 0.809 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553136751 1268596411 /nfs/dbraw/zinc/59/64/11/1268596411.db2.gz VPUNIVFUESXFOZ-ZWKOTPCHSA-N 2 2 351.491 0.857 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001553143509 1268597346 /nfs/dbraw/zinc/59/73/46/1268597346.db2.gz DAHDKKVJTVATRX-LMMKCTJWSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001553143509 1268597350 /nfs/dbraw/zinc/59/73/50/1268597350.db2.gz DAHDKKVJTVATRX-LMMKCTJWSA-N 2 2 351.491 0.811 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cnn([C@H]3CCC[NH2+]C3)c1)C2 ZINC001340667421 1268619200 /nfs/dbraw/zinc/61/92/00/1268619200.db2.gz SFLXFQNXYYMYPB-HOTGVXAUSA-N 2 2 372.473 0.592 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340772023 1268651598 /nfs/dbraw/zinc/65/15/98/1268651598.db2.gz CAIYYRTUWZAYRL-QGZVFWFLSA-N 2 2 372.469 0.902 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340772023 1268651604 /nfs/dbraw/zinc/65/16/04/1268651604.db2.gz CAIYYRTUWZAYRL-QGZVFWFLSA-N 2 2 372.469 0.902 20 0 FCADLP [NH3+]CCc1cnc2c(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cnn2c1 ZINC001340821570 1268668817 /nfs/dbraw/zinc/66/88/17/1268668817.db2.gz BFYAPFFBMRNFMU-HNNXBMFYSA-N 2 2 358.446 0.167 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340953794 1268721897 /nfs/dbraw/zinc/72/18/97/1268721897.db2.gz RYEIOCYEFDAOQO-HXUWFJFHSA-N 2 2 374.485 0.466 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340953794 1268721903 /nfs/dbraw/zinc/72/19/03/1268721903.db2.gz RYEIOCYEFDAOQO-HXUWFJFHSA-N 2 2 374.485 0.466 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C2)nn1 ZINC001553865879 1268730545 /nfs/dbraw/zinc/73/05/45/1268730545.db2.gz PJLOWVKBQRYJKS-KRWDZBQOSA-N 2 2 365.441 0.998 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001341060669 1268766536 /nfs/dbraw/zinc/76/65/36/1268766536.db2.gz WALGLPYDQIAVLV-INIZCTEOSA-N 2 2 361.490 0.974 20 0 FCADLP [NH3+][C@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C12CCC2 ZINC001341554945 1269078802 /nfs/dbraw/zinc/07/88/02/1269078802.db2.gz UPNRKRMQNKUVBY-HOTGVXAUSA-N 2 2 371.485 0.897 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cn(CC(N)=O)nn3)cc2)CC1 ZINC001560270147 1269199212 /nfs/dbraw/zinc/19/92/12/1269199212.db2.gz ILHADHBWIWNMAW-UHFFFAOYSA-N 2 2 371.489 0.191 20 0 FCADLP CN(C(=O)c1cnn(C)c1-n1cnnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001565695688 1269488931 /nfs/dbraw/zinc/48/89/31/1269488931.db2.gz YZTOPPJNISNMHF-HNNXBMFYSA-N 2 2 372.477 0.241 20 0 FCADLP CN(C(=O)c1cnn(C)c1-n1cnnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001565695688 1269488935 /nfs/dbraw/zinc/48/89/35/1269488935.db2.gz YZTOPPJNISNMHF-HNNXBMFYSA-N 2 2 372.477 0.241 20 0 FCADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC001568242436 1269723207 /nfs/dbraw/zinc/72/32/07/1269723207.db2.gz DHBCKDYCBCYUKO-ZIAGYGMSSA-N 2 2 357.462 0.871 20 0 FCADLP COC[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001570420495 1269882010 /nfs/dbraw/zinc/88/20/10/1269882010.db2.gz JQJWHALGFMZDKU-RRFJBIMHSA-N 2 2 350.463 0.502 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)CC2)CC1 ZINC001570442585 1269883548 /nfs/dbraw/zinc/88/35/48/1269883548.db2.gz ZCCLWEKHSDULOJ-MRXNPFEDSA-N 2 2 374.533 0.939 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)CC2)CC1 ZINC001570442585 1269883558 /nfs/dbraw/zinc/88/35/58/1269883558.db2.gz ZCCLWEKHSDULOJ-MRXNPFEDSA-N 2 2 374.533 0.939 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001573377825 1270767317 /nfs/dbraw/zinc/76/73/17/1270767317.db2.gz XRGFKUIROHIABZ-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001573377825 1270767321 /nfs/dbraw/zinc/76/73/21/1270767321.db2.gz XRGFKUIROHIABZ-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001573380793 1270768277 /nfs/dbraw/zinc/76/82/77/1270768277.db2.gz YIBUMHAYOBSING-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001573380793 1270768279 /nfs/dbraw/zinc/76/82/79/1270768279.db2.gz YIBUMHAYOBSING-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260581 1271131613 /nfs/dbraw/zinc/13/16/13/1271131613.db2.gz MWZIKKGMIXBNDA-CQSZACIVSA-N 2 2 372.477 0.935 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260581 1271131619 /nfs/dbraw/zinc/13/16/19/1271131619.db2.gz MWZIKKGMIXBNDA-CQSZACIVSA-N 2 2 372.477 0.935 20 0 FCADLP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574548093 1271337485 /nfs/dbraw/zinc/33/74/85/1271337485.db2.gz WEVPVPRWSYOASH-VXGBXAGGSA-N 2 2 355.406 0.276 20 0 FCADLP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574548091 1271337614 /nfs/dbraw/zinc/33/76/14/1271337614.db2.gz WEVPVPRWSYOASH-NWDGAFQWSA-N 2 2 355.406 0.276 20 0 FCADLP C[C@H](CC(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574601818 1271405549 /nfs/dbraw/zinc/40/55/49/1271405549.db2.gz IYJNHDZEWBGRSZ-QWHCGFSZSA-N 2 2 369.433 0.838 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574671436 1271472732 /nfs/dbraw/zinc/47/27/32/1271472732.db2.gz OAVPSJXOTOBPLH-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574671436 1271472741 /nfs/dbraw/zinc/47/27/41/1271472741.db2.gz OAVPSJXOTOBPLH-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574805736 1271545984 /nfs/dbraw/zinc/54/59/84/1271545984.db2.gz YDESPGORVOUXDZ-GFCCVEGCSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574852306 1271602810 /nfs/dbraw/zinc/60/28/10/1271602810.db2.gz CWQLROPDUFDJEV-LBPRGKRZSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[NH+]1CCSCC1 ZINC001575047943 1271699675 /nfs/dbraw/zinc/69/96/75/1271699675.db2.gz GJCYHRASOVAMGD-BHYGNILZSA-N 3 2 352.548 0.851 20 0 FCADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[NH+]1CCSCC1 ZINC001575047943 1271699678 /nfs/dbraw/zinc/69/96/78/1271699678.db2.gz GJCYHRASOVAMGD-BHYGNILZSA-N 3 2 352.548 0.851 20 0 FCADLP CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001575199017 1271782780 /nfs/dbraw/zinc/78/27/80/1271782780.db2.gz VOEJDEUUHGLTPO-CQSZACIVSA-N 2 2 356.467 0.162 20 0 FCADLP CC(C)(CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[NH+]1CCOCC1 ZINC001575322219 1271925680 /nfs/dbraw/zinc/92/56/80/1271925680.db2.gz FGXRNALJTXVWOQ-CVEARBPZSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575378713 1272021860 /nfs/dbraw/zinc/02/18/60/1272021860.db2.gz JCBWFVFEYKLCAU-QWRGUYRKSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575398779 1272046506 /nfs/dbraw/zinc/04/65/06/1272046506.db2.gz FMWSLEPNLJDZLH-VXGBXAGGSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001575438868 1272107707 /nfs/dbraw/zinc/10/77/07/1272107707.db2.gz KUUSCRFVELVSQA-QWHCGFSZSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@H+](CCc2c[nH]nn2)CC1 ZINC001575565482 1272199868 /nfs/dbraw/zinc/19/98/68/1272199868.db2.gz CTQJYXQXHBPJEM-OAHLLOKOSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@@H+](CCc2c[nH]nn2)CC1 ZINC001575565482 1272199870 /nfs/dbraw/zinc/19/98/70/1272199870.db2.gz CTQJYXQXHBPJEM-OAHLLOKOSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@H+](CCc2cn[nH]n2)CC1 ZINC001575565482 1272199874 /nfs/dbraw/zinc/19/98/74/1272199874.db2.gz CTQJYXQXHBPJEM-OAHLLOKOSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@@H+](CCc2cn[nH]n2)CC1 ZINC001575565482 1272199880 /nfs/dbraw/zinc/19/98/80/1272199880.db2.gz CTQJYXQXHBPJEM-OAHLLOKOSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575819625 1272477464 /nfs/dbraw/zinc/47/74/64/1272477464.db2.gz WVVYCJMREKASRD-SFHVURJKSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575819625 1272477472 /nfs/dbraw/zinc/47/74/72/1272477472.db2.gz WVVYCJMREKASRD-SFHVURJKSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2cnn[nH]2)CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576024214 1272727967 /nfs/dbraw/zinc/72/79/67/1272727967.db2.gz FEPGIWGDHMUYQA-DOMZBBRYSA-N 2 2 359.434 0.781 20 0 FCADLP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001576044282 1272767580 /nfs/dbraw/zinc/76/75/80/1272767580.db2.gz HEDGOYQNCKTISS-OLZOCXBDSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576061989 1272807833 /nfs/dbraw/zinc/80/78/33/1272807833.db2.gz YATVMOJZMZIIBW-BBRMVZONSA-N 2 2 366.429 0.821 20 0 FCADLP C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063256 1272812879 /nfs/dbraw/zinc/81/28/79/1272812879.db2.gz CZQODKNJXLWSIK-ILXRZTDVSA-N 2 2 350.467 0.040 20 0 FCADLP C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576066758 1272819189 /nfs/dbraw/zinc/81/91/89/1272819189.db2.gz XFPLSIBDFIOILX-ARFHVFGLSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576083640 1272856616 /nfs/dbraw/zinc/85/66/16/1272856616.db2.gz FDZBLOQCOWZOKO-OCCSQVGLSA-N 2 2 370.461 0.332 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125006 1272919950 /nfs/dbraw/zinc/91/99/50/1272919950.db2.gz RNLVNMFPZFSXDY-QAPCUYQASA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125006 1272919957 /nfs/dbraw/zinc/91/99/57/1272919957.db2.gz RNLVNMFPZFSXDY-QAPCUYQASA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125006 1272919964 /nfs/dbraw/zinc/91/99/64/1272919964.db2.gz RNLVNMFPZFSXDY-QAPCUYQASA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125006 1272919969 /nfs/dbraw/zinc/91/99/69/1272919969.db2.gz RNLVNMFPZFSXDY-QAPCUYQASA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC001576163758 1272972041 /nfs/dbraw/zinc/97/20/41/1272972041.db2.gz BSZNTVJVFCVVSY-RHSMWYFYSA-N 2 2 350.463 0.541 20 0 FCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576259845 1273048078 /nfs/dbraw/zinc/04/80/78/1273048078.db2.gz HBSUMOPDKVZKIF-GWCFXTLKSA-N 2 2 372.458 0.831 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576519785 1273404718 /nfs/dbraw/zinc/40/47/18/1273404718.db2.gz PFPWIECHIPEGLG-ULQDDVLXSA-N 2 2 369.473 0.992 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576519785 1273404722 /nfs/dbraw/zinc/40/47/22/1273404722.db2.gz PFPWIECHIPEGLG-ULQDDVLXSA-N 2 2 369.473 0.992 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576521971 1273408009 /nfs/dbraw/zinc/40/80/09/1273408009.db2.gz MPTTVZXHWSKUHP-HUUCEWRRSA-N 2 2 356.446 0.192 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557705 1273437927 /nfs/dbraw/zinc/43/79/27/1273437927.db2.gz SVAFHPXPQDDIJM-DOTOQJQBSA-N 2 2 350.467 0.122 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557705 1273437929 /nfs/dbraw/zinc/43/79/29/1273437929.db2.gz SVAFHPXPQDDIJM-DOTOQJQBSA-N 2 2 350.467 0.122 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558706 1273439840 /nfs/dbraw/zinc/43/98/40/1273439840.db2.gz ZLTACPYLKBUZHH-JKSUJKDBSA-N 2 2 350.467 0.386 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558706 1273439845 /nfs/dbraw/zinc/43/98/45/1273439845.db2.gz ZLTACPYLKBUZHH-JKSUJKDBSA-N 2 2 350.467 0.386 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CCC(CC[NH2+]Cc3cnn[nH]3)CC2)no1 ZINC001576750838 1273623329 /nfs/dbraw/zinc/62/33/29/1273623329.db2.gz WEYCBIOELJCALI-UHFFFAOYSA-N 2 2 361.450 0.886 20 0 FCADLP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791627 1273689198 /nfs/dbraw/zinc/68/91/98/1273689198.db2.gz PWPZNBDFHZSKBH-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791627 1273689205 /nfs/dbraw/zinc/68/92/05/1273689205.db2.gz PWPZNBDFHZSKBH-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576804463 1273711975 /nfs/dbraw/zinc/71/19/75/1273711975.db2.gz SUANKJHQZPSGAF-OLZOCXBDSA-N 2 2 369.433 0.838 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576834287 1273761386 /nfs/dbraw/zinc/76/13/86/1273761386.db2.gz CYAVEQVFBKKJBA-CQSZACIVSA-N 2 2 354.418 0.748 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576836041 1273767569 /nfs/dbraw/zinc/76/75/69/1273767569.db2.gz VWHGWARLHJZPMR-CQSZACIVSA-N 2 2 354.418 0.817 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001576889185 1273880480 /nfs/dbraw/zinc/88/04/80/1273880480.db2.gz JGYHAPHNWLCHOT-KRWDZBQOSA-N 2 2 362.478 0.338 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001576889185 1273880489 /nfs/dbraw/zinc/88/04/89/1273880489.db2.gz JGYHAPHNWLCHOT-KRWDZBQOSA-N 2 2 362.478 0.338 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571610 1274536418 /nfs/dbraw/zinc/53/64/18/1274536418.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571610 1274536421 /nfs/dbraw/zinc/53/64/21/1274536421.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571610 1274536423 /nfs/dbraw/zinc/53/64/23/1274536423.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571610 1274536428 /nfs/dbraw/zinc/53/64/28/1274536428.db2.gz HGFLFVGPPFWBOS-OAHLLOKOSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ncc1-c1nn[nH]n1 ZINC001580776513 1278913443 /nfs/dbraw/zinc/91/34/43/1278913443.db2.gz PBJIJIYYRZHDNI-UHFFFAOYSA-N 2 2 372.477 0.668 20 0 FCADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ncc1-c1nn[nH]n1 ZINC001580776513 1278913445 /nfs/dbraw/zinc/91/34/45/1278913445.db2.gz PBJIJIYYRZHDNI-UHFFFAOYSA-N 2 2 372.477 0.668 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882438 1275081731 /nfs/dbraw/zinc/08/17/31/1275081731.db2.gz CWYNBADVJCHGNG-CQSZACIVSA-N 2 2 372.477 0.888 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895815 1275107532 /nfs/dbraw/zinc/10/75/32/1275107532.db2.gz OCBBUVHAPCOIHJ-CYBMUJFWSA-N 2 2 358.450 0.546 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578029832 1275304366 /nfs/dbraw/zinc/30/43/66/1275304366.db2.gz SSDRBZLTVLSMHV-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578029832 1275304370 /nfs/dbraw/zinc/30/43/70/1275304370.db2.gz SSDRBZLTVLSMHV-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220969 1275518498 /nfs/dbraw/zinc/51/84/98/1275518498.db2.gz FVQBWPJUDFZTFV-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220969 1275518501 /nfs/dbraw/zinc/51/85/01/1275518501.db2.gz FVQBWPJUDFZTFV-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001578418700 1275787125 /nfs/dbraw/zinc/78/71/25/1275787125.db2.gz OREFLDHQGIVTTA-UHFFFAOYSA-N 3 2 351.520 0.679 20 0 FCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001578420081 1275789282 /nfs/dbraw/zinc/78/92/82/1275789282.db2.gz AESZEZDUXHHIEG-HNNXBMFYSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001578420081 1275789285 /nfs/dbraw/zinc/78/92/85/1275789285.db2.gz AESZEZDUXHHIEG-HNNXBMFYSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@@H+]1C ZINC001578447225 1275837280 /nfs/dbraw/zinc/83/72/80/1275837280.db2.gz OVFNHYBHANRRMR-DLBZAZTESA-N 2 2 369.473 0.897 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001578447225 1275837296 /nfs/dbraw/zinc/83/72/96/1275837296.db2.gz OVFNHYBHANRRMR-DLBZAZTESA-N 2 2 369.473 0.897 20 0 FCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001578472172 1275884683 /nfs/dbraw/zinc/88/46/83/1275884683.db2.gz AESZEZDUXHHIEG-OAHLLOKOSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)[NH+](C)C ZINC001578472172 1275884690 /nfs/dbraw/zinc/88/46/90/1275884690.db2.gz AESZEZDUXHHIEG-OAHLLOKOSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC001578471367 1275884733 /nfs/dbraw/zinc/88/47/33/1275884733.db2.gz IBVQGWPVIGBVRW-GOEBONIOSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC001578471367 1275884737 /nfs/dbraw/zinc/88/47/37/1275884737.db2.gz IBVQGWPVIGBVRW-GOEBONIOSA-N 2 2 357.462 0.897 20 0 FCADLP C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001578654238 1276105343 /nfs/dbraw/zinc/10/53/43/1276105343.db2.gz KYCYJKAWFPXUKE-DZKIICNBSA-N 2 2 352.479 0.748 20 0 FCADLP C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001578654238 1276105347 /nfs/dbraw/zinc/10/53/47/1276105347.db2.gz KYCYJKAWFPXUKE-DZKIICNBSA-N 2 2 352.479 0.748 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578686642 1276143018 /nfs/dbraw/zinc/14/30/18/1276143018.db2.gz WYDCIVFDQDVQES-LBPRGKRZSA-N 2 2 369.433 0.622 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(-c2nn[nH]n2)ccc1F ZINC001578975904 1276526293 /nfs/dbraw/zinc/52/62/93/1276526293.db2.gz JFLQPGMQOVYJMF-GJZGRUSLSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(-c2nn[nH]n2)ccc1F ZINC001578975904 1276526301 /nfs/dbraw/zinc/52/63/01/1276526301.db2.gz JFLQPGMQOVYJMF-GJZGRUSLSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578981269 1276542008 /nfs/dbraw/zinc/54/20/08/1276542008.db2.gz WHPBATRQMSZUSZ-ZDUSSCGKSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578981269 1276542013 /nfs/dbraw/zinc/54/20/13/1276542013.db2.gz WHPBATRQMSZUSZ-ZDUSSCGKSA-N 2 2 361.425 0.648 20 0 FCADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579004844 1276574007 /nfs/dbraw/zinc/57/40/07/1276574007.db2.gz UXGSQEMXBPNYOI-AWEZNQCLSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579004844 1276574015 /nfs/dbraw/zinc/57/40/15/1276574015.db2.gz UXGSQEMXBPNYOI-AWEZNQCLSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579167309 1276918108 /nfs/dbraw/zinc/91/81/08/1276918108.db2.gz SMFFYAHSQYBGAW-UHFFFAOYSA-N 2 2 373.436 0.650 20 0 FCADLP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579167309 1276918119 /nfs/dbraw/zinc/91/81/19/1276918119.db2.gz SMFFYAHSQYBGAW-UHFFFAOYSA-N 2 2 373.436 0.650 20 0 FCADLP CN(CCNC(=O)CCCn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579177587 1276940781 /nfs/dbraw/zinc/94/07/81/1276940781.db2.gz SQBVRYXOEQFVRE-UHFFFAOYSA-N 2 2 355.406 0.491 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350417 1277205892 /nfs/dbraw/zinc/20/58/92/1277205892.db2.gz DPEJZYCNGHFJPB-HOTGVXAUSA-N 2 2 370.461 0.427 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350417 1277205894 /nfs/dbraw/zinc/20/58/94/1277205894.db2.gz DPEJZYCNGHFJPB-HOTGVXAUSA-N 2 2 370.461 0.427 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356773 1277222749 /nfs/dbraw/zinc/22/27/49/1277222749.db2.gz NAEKZKPHNBRJCA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356773 1277222750 /nfs/dbraw/zinc/22/27/50/1277222750.db2.gz NAEKZKPHNBRJCA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356773 1277222752 /nfs/dbraw/zinc/22/27/52/1277222752.db2.gz NAEKZKPHNBRJCA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356773 1277222753 /nfs/dbraw/zinc/22/27/53/1277222753.db2.gz NAEKZKPHNBRJCA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358437 1277227047 /nfs/dbraw/zinc/22/70/47/1277227047.db2.gz DNUGITGFFQZTNO-LSDHHAIUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358437 1277227051 /nfs/dbraw/zinc/22/70/51/1277227051.db2.gz DNUGITGFFQZTNO-LSDHHAIUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358837 1277228600 /nfs/dbraw/zinc/22/86/00/1277228600.db2.gz KNABKXJBIHNITO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358837 1277228603 /nfs/dbraw/zinc/22/86/03/1277228603.db2.gz KNABKXJBIHNITO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358837 1277228607 /nfs/dbraw/zinc/22/86/07/1277228607.db2.gz KNABKXJBIHNITO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358837 1277228611 /nfs/dbraw/zinc/22/86/11/1277228611.db2.gz KNABKXJBIHNITO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358838 1277229616 /nfs/dbraw/zinc/22/96/16/1277229616.db2.gz KNABKXJBIHNITO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358838 1277229619 /nfs/dbraw/zinc/22/96/19/1277229619.db2.gz KNABKXJBIHNITO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358838 1277229624 /nfs/dbraw/zinc/22/96/24/1277229624.db2.gz KNABKXJBIHNITO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358838 1277229628 /nfs/dbraw/zinc/22/96/28/1277229628.db2.gz KNABKXJBIHNITO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359252 1277231420 /nfs/dbraw/zinc/23/14/20/1277231420.db2.gz QRRWOIJXVTXMOX-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359252 1277231422 /nfs/dbraw/zinc/23/14/22/1277231422.db2.gz QRRWOIJXVTXMOX-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359252 1277231427 /nfs/dbraw/zinc/23/14/27/1277231427.db2.gz QRRWOIJXVTXMOX-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359252 1277231432 /nfs/dbraw/zinc/23/14/32/1277231432.db2.gz QRRWOIJXVTXMOX-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359183 1277232063 /nfs/dbraw/zinc/23/20/63/1277232063.db2.gz PTOGJBUGHVFTTM-WFASDCNBSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359183 1277232065 /nfs/dbraw/zinc/23/20/65/1277232065.db2.gz PTOGJBUGHVFTTM-WFASDCNBSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579363223 1277241416 /nfs/dbraw/zinc/24/14/16/1277241416.db2.gz YLYBXJWZHBBCNO-HUBLWGQQSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579363223 1277241418 /nfs/dbraw/zinc/24/14/18/1277241418.db2.gz YLYBXJWZHBBCNO-HUBLWGQQSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368854 1277250156 /nfs/dbraw/zinc/25/01/56/1277250156.db2.gz LVHQNBXDMSTUKA-XEZPLFJOSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368854 1277250162 /nfs/dbraw/zinc/25/01/62/1277250162.db2.gz LVHQNBXDMSTUKA-XEZPLFJOSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001579370158 1277253344 /nfs/dbraw/zinc/25/33/44/1277253344.db2.gz XHRUCOUELINGDE-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001579370158 1277253348 /nfs/dbraw/zinc/25/33/48/1277253348.db2.gz XHRUCOUELINGDE-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001579370158 1277253350 /nfs/dbraw/zinc/25/33/50/1277253350.db2.gz XHRUCOUELINGDE-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001579370158 1277253351 /nfs/dbraw/zinc/25/33/51/1277253351.db2.gz XHRUCOUELINGDE-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP COc1ccc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC001580015939 1277990244 /nfs/dbraw/zinc/99/02/44/1277990244.db2.gz SZJNRZGSHOSKNW-GFCCVEGCSA-N 2 2 370.417 0.366 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001580276754 1278071411 /nfs/dbraw/zinc/07/14/11/1278071411.db2.gz LLIQFVQCBSUXHZ-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP Cc1cc(N(C)[C@@H](C)CNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942303 1279149541 /nfs/dbraw/zinc/14/95/41/1279149541.db2.gz XBZUPXVASTWHKC-LBPRGKRZSA-N 2 2 369.433 0.487 20 0 FCADLP Cc1cc(N[C@@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995062 1279206212 /nfs/dbraw/zinc/20/62/12/1279206212.db2.gz WPQYFJOIUFPRTF-NSHDSACASA-N 2 2 355.406 0.217 20 0 FCADLP Cc1cc(N[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996140 1279206884 /nfs/dbraw/zinc/20/68/84/1279206884.db2.gz VZUSEVAZRROJMZ-CHWSQXEVSA-N 2 2 369.433 0.756 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580996066 1279208135 /nfs/dbraw/zinc/20/81/35/1279208135.db2.gz VLNAAGXSQBULKW-NSHDSACASA-N 2 2 355.406 0.114 20 0 FCADLP Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002365 1279216856 /nfs/dbraw/zinc/21/68/56/1279216856.db2.gz PNDFZLFINONTDG-CHWSQXEVSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(N[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008745 1279231948 /nfs/dbraw/zinc/23/19/48/1279231948.db2.gz PGVKQRRILRAGPZ-BONVTDFDSA-N 2 2 367.417 0.217 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581013505 1279240410 /nfs/dbraw/zinc/24/04/10/1279240410.db2.gz QSPBHCHJVJTKHC-LLVKDONJSA-N 2 2 369.433 0.361 20 0 FCADLP Cc1cc(NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581021211 1279251917 /nfs/dbraw/zinc/25/19/17/1279251917.db2.gz JSTNIZCJZLODCP-LBPRGKRZSA-N 2 2 367.417 0.361 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581030774 1279268603 /nfs/dbraw/zinc/26/86/03/1279268603.db2.gz MZRWSADWBJLUJF-LLVKDONJSA-N 2 2 355.406 0.114 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340600 1279723038 /nfs/dbraw/zinc/72/30/38/1279723038.db2.gz SESPFWHDGQSLNL-NWDGAFQWSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563247 1280138906 /nfs/dbraw/zinc/13/89/06/1280138906.db2.gz HCMIELQOSPDDBK-VXGBXAGGSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563903 1280142036 /nfs/dbraw/zinc/14/20/36/1280142036.db2.gz USJCRPAIUNQMDM-NSHDSACASA-N 2 2 355.406 0.408 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581565280 1280145075 /nfs/dbraw/zinc/14/50/75/1280145075.db2.gz HKPNQDAVDGPRSO-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581565280 1280145076 /nfs/dbraw/zinc/14/50/76/1280145076.db2.gz HKPNQDAVDGPRSO-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582088978 1281041728 /nfs/dbraw/zinc/04/17/28/1281041728.db2.gz PWVZTRXIKUHBCG-HNNXBMFYSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582090653 1281048389 /nfs/dbraw/zinc/04/83/89/1281048389.db2.gz ZGIMLTYNURJBGM-WKILWMFISA-N 2 2 366.429 0.890 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582097914 1281053895 /nfs/dbraw/zinc/05/38/95/1281053895.db2.gz SYPCXJZOSFUPGR-OAHLLOKOSA-N 2 2 356.434 0.086 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582098966 1281054868 /nfs/dbraw/zinc/05/48/68/1281054868.db2.gz FQUZNIFOHZCSFH-ZDUSSCGKSA-N 2 2 356.434 0.443 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099540 1281055620 /nfs/dbraw/zinc/05/56/20/1281055620.db2.gz UQNSUPFKVNFLJP-DZGCQCFKSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582169339 1281135855 /nfs/dbraw/zinc/13/58/55/1281135855.db2.gz NOUZQLMYJOEKDH-NSHDSACASA-N 2 2 372.458 0.975 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582169589 1281137185 /nfs/dbraw/zinc/13/71/85/1281137185.db2.gz ZWQPKTBDERLEKH-AWEZNQCLSA-N 2 2 352.402 0.523 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582171347 1281139729 /nfs/dbraw/zinc/13/97/29/1281139729.db2.gz HMUOQBKCAUBRHN-BETUJISGSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001582173395 1281142582 /nfs/dbraw/zinc/14/25/82/1281142582.db2.gz PTOJSMVIYYBUGZ-QLPKVWCKSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001582173395 1281142583 /nfs/dbraw/zinc/14/25/83/1281142583.db2.gz PTOJSMVIYYBUGZ-QLPKVWCKSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582183758 1281161911 /nfs/dbraw/zinc/16/19/11/1281161911.db2.gz GVTUVZURODDLMJ-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582183758 1281161913 /nfs/dbraw/zinc/16/19/13/1281161913.db2.gz GVTUVZURODDLMJ-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582183665 1281162991 /nfs/dbraw/zinc/16/29/91/1281162991.db2.gz BHSQTNIZLCVBGW-BETUJISGSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001582196189 1281177133 /nfs/dbraw/zinc/17/71/33/1281177133.db2.gz GBBXPHDXUUSIRN-UHFFFAOYSA-N 2 2 370.392 0.641 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196447 1281177457 /nfs/dbraw/zinc/17/74/57/1281177457.db2.gz KLTKAMIAMZBACZ-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196447 1281177458 /nfs/dbraw/zinc/17/74/58/1281177458.db2.gz KLTKAMIAMZBACZ-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196446 1281177616 /nfs/dbraw/zinc/17/76/16/1281177616.db2.gz KLTKAMIAMZBACZ-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196446 1281177619 /nfs/dbraw/zinc/17/76/19/1281177619.db2.gz KLTKAMIAMZBACZ-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582197221 1281180394 /nfs/dbraw/zinc/18/03/94/1281180394.db2.gz ISYGMHSJYJHZLJ-AWEZNQCLSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582197221 1281180397 /nfs/dbraw/zinc/18/03/97/1281180397.db2.gz ISYGMHSJYJHZLJ-AWEZNQCLSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197200 1281180818 /nfs/dbraw/zinc/18/08/18/1281180818.db2.gz ICLOKAZDUYNTJF-CQSZACIVSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197200 1281180821 /nfs/dbraw/zinc/18/08/21/1281180821.db2.gz ICLOKAZDUYNTJF-CQSZACIVSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197471 1281182290 /nfs/dbraw/zinc/18/22/90/1281182290.db2.gz PTPIZAUJUURLGJ-UHFFFAOYSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197960 1281184474 /nfs/dbraw/zinc/18/44/74/1281184474.db2.gz GSNFBBPQBQXKLN-SHTZXODSSA-N 2 2 352.402 0.500 20 0 FCADLP CO[C@H]1COCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001635475461 1282410802 /nfs/dbraw/zinc/41/08/02/1282410802.db2.gz BPZMQDWVHWLRRZ-RDJZCZTQSA-N 2 2 356.511 0.705 20 0 FCADLP CO[C@H]1COCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001635475461 1282410807 /nfs/dbraw/zinc/41/08/07/1282410807.db2.gz BPZMQDWVHWLRRZ-RDJZCZTQSA-N 2 2 356.511 0.705 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001604345551 1287609253 /nfs/dbraw/zinc/60/92/53/1287609253.db2.gz SQACGRVWMWEIOE-GFCCVEGCSA-N 2 2 350.496 0.686 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)Cn1c[nH+]cc1C ZINC001604309927 1287605394 /nfs/dbraw/zinc/60/53/94/1287605394.db2.gz NKDYIJUJISLADT-UHFFFAOYSA-N 2 2 369.433 0.458 20 0 FCADLP CC[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604357210 1287613241 /nfs/dbraw/zinc/61/32/41/1287613241.db2.gz VWJWPMVSGKNPIC-UHFFFAOYSA-N 2 2 372.477 0.694 20 0 FCADLP C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001589963513 1283149705 /nfs/dbraw/zinc/14/97/05/1283149705.db2.gz XSAKEORAWIWGNY-XJKSGUPXSA-N 2 2 372.477 0.419 20 0 FCADLP C[C@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001589963513 1283149710 /nfs/dbraw/zinc/14/97/10/1283149710.db2.gz XSAKEORAWIWGNY-XJKSGUPXSA-N 2 2 372.477 0.419 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)[NH+](CC)CC ZINC001682576484 1283694407 /nfs/dbraw/zinc/69/44/07/1283694407.db2.gz CJQXSTMNOXVGNR-OWCLPIDISA-N 2 2 365.478 0.069 20 0 FCADLP CO[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001683305726 1283937916 /nfs/dbraw/zinc/93/79/16/1283937916.db2.gz VYSZQZRIDVYERW-HUUCEWRRSA-N 2 2 363.462 0.170 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001591020603 1284077585 /nfs/dbraw/zinc/07/75/85/1284077585.db2.gz RKCMUFOINNQDBO-UHFFFAOYSA-N 2 2 364.479 0.213 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591188062 1284300640 /nfs/dbraw/zinc/30/06/40/1284300640.db2.gz ZHKYEWIKMIDRHC-CZUORRHYSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591188062 1284300650 /nfs/dbraw/zinc/30/06/50/1284300650.db2.gz ZHKYEWIKMIDRHC-CZUORRHYSA-N 2 2 370.461 0.689 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(-c3nn[nH]n3)cnc2Cl)CC1 ZINC001591189390 1284304742 /nfs/dbraw/zinc/30/47/42/1284304742.db2.gz DKWOTCUTJOQGAL-UHFFFAOYSA-N 2 2 364.841 0.169 20 0 FCADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001591503219 1284683836 /nfs/dbraw/zinc/68/38/36/1284683836.db2.gz ZGQXVKXQCJZRQW-UHFFFAOYSA-N 2 2 370.417 0.799 20 0 FCADLP Cc1cc(NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592052006 1285096266 /nfs/dbraw/zinc/09/62/66/1285096266.db2.gz UTGGFUVSRQLYBH-JOCQHMNTSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1ccn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266765 1285209460 /nfs/dbraw/zinc/20/94/60/1285209460.db2.gz GVZSCKKDKBKCTK-KKUMJFAQSA-N 2 2 357.462 0.956 20 0 FCADLP Cc1ccn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266765 1285209462 /nfs/dbraw/zinc/20/94/62/1285209462.db2.gz GVZSCKKDKBKCTK-KKUMJFAQSA-N 2 2 357.462 0.956 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592417146 1285340230 /nfs/dbraw/zinc/34/02/30/1285340230.db2.gz HVCMNJMPPUDRTA-UHFFFAOYSA-N 2 2 360.447 0.729 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592589878 1285518550 /nfs/dbraw/zinc/51/85/50/1285518550.db2.gz YRJAWGOFGPVQLE-LBPRGKRZSA-N 2 2 367.417 0.063 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592860303 1285762801 /nfs/dbraw/zinc/76/28/01/1285762801.db2.gz ZBQGYAPDBJBWFX-UHFFFAOYSA-N 2 2 354.418 0.749 20 0 FCADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)ccn1 ZINC001609268368 1289032224 /nfs/dbraw/zinc/03/22/24/1289032224.db2.gz CTRQTYJGLRTXJX-UHFFFAOYSA-N 2 2 360.447 0.948 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1-c1nn[nH]n1 ZINC001609289541 1289055261 /nfs/dbraw/zinc/05/52/61/1289055261.db2.gz JYRLJURXZXZWPX-JTQLQIEISA-N 2 2 370.421 0.139 20 0 FCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593504230 1286183202 /nfs/dbraw/zinc/18/32/02/1286183202.db2.gz ILOXVWLHCHWDPF-SJORKVTESA-N 2 2 358.446 0.743 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC001593547320 1286201702 /nfs/dbraw/zinc/20/17/02/1286201702.db2.gz LXDVTOBOIHVZDS-UHFFFAOYSA-N 2 2 358.446 0.836 20 0 FCADLP c1ccc(C[NH+]2CCN(CCNc3cc[nH+]cc3-c3nn[nH]n3)CC2)cc1 ZINC001593586943 1286206208 /nfs/dbraw/zinc/20/62/08/1286206208.db2.gz RAGDVGWXWAWFDW-UHFFFAOYSA-N 2 2 364.457 0.913 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCNC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001704408043 1286244861 /nfs/dbraw/zinc/24/48/61/1286244861.db2.gz DGNXOIGLMGASHK-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCNC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001704408043 1286244867 /nfs/dbraw/zinc/24/48/67/1286244867.db2.gz DGNXOIGLMGASHK-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001707165007 1286486570 /nfs/dbraw/zinc/48/65/70/1286486570.db2.gz FTRCTQSOJHKHNT-CVEARBPZSA-N 2 2 363.510 0.803 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001735996307 1289115655 /nfs/dbraw/zinc/11/56/55/1289115655.db2.gz PHGFHJOINSFRON-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001735996307 1289115657 /nfs/dbraw/zinc/11/56/57/1289115657.db2.gz PHGFHJOINSFRON-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](CCCO)CC3)c2c1 ZINC001609360493 1289117707 /nfs/dbraw/zinc/11/77/07/1289117707.db2.gz YOBSHYMRNPDGAP-UHFFFAOYSA-N 2 2 369.429 0.928 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606539480 1288371709 /nfs/dbraw/zinc/37/17/09/1288371709.db2.gz KEMLDLNMFFXPRK-UHFFFAOYSA-N 2 2 367.417 0.277 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCCN(C)C1=O ZINC001731882754 1288570976 /nfs/dbraw/zinc/57/09/76/1288570976.db2.gz UAEAACXXBVNDTH-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCCN(C)C1=O ZINC001731882754 1288570978 /nfs/dbraw/zinc/57/09/78/1288570978.db2.gz UAEAACXXBVNDTH-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001735717930 1288793609 /nfs/dbraw/zinc/79/36/09/1288793609.db2.gz IYVIMHWWIRGSGW-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001735717930 1288793615 /nfs/dbraw/zinc/79/36/15/1288793615.db2.gz IYVIMHWWIRGSGW-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001692042334 1289374796 /nfs/dbraw/zinc/37/47/96/1289374796.db2.gz PCKAMKAQNRDHSN-XJKCOSOUSA-N 2 2 363.462 0.072 20 0 FCADLP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001692090275 1289396507 /nfs/dbraw/zinc/39/65/07/1289396507.db2.gz UAOKKSWXEDPCPR-OLZOCXBDSA-N 2 2 364.450 0.015 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001692284203 1289442568 /nfs/dbraw/zinc/44/25/68/1289442568.db2.gz JOIWFLCPXFYYHL-XHSDSOJGSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001692284203 1289442572 /nfs/dbraw/zinc/44/25/72/1289442572.db2.gz JOIWFLCPXFYYHL-XHSDSOJGSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1)C(N)=O ZINC001698716381 1289533940 /nfs/dbraw/zinc/53/39/40/1289533940.db2.gz MJNWXRFVQQZALJ-DAXOMENPSA-N 2 2 355.442 0.803 20 0 FCADLP C[C@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698845750 1289537927 /nfs/dbraw/zinc/53/79/27/1289537927.db2.gz OFHHMZFJQMFLED-MGPQQGTHSA-N 2 2 371.445 0.389 20 0 FCADLP CCn1nnc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699311032 1289550513 /nfs/dbraw/zinc/55/05/13/1289550513.db2.gz LNDRFPNPDMNGRV-XEVLESSRSA-N 2 2 357.462 0.906 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001737530555 1289558100 /nfs/dbraw/zinc/55/81/00/1289558100.db2.gz CRFXPEQUJILVCO-NPCUJANDSA-N 2 2 371.485 0.581 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CS(=O)(=O)C[C@H]3OC)CC2)CC1 ZINC001618638370 1289924737 /nfs/dbraw/zinc/92/47/37/1289924737.db2.gz VRWKENMYQXAPJE-DLBZAZTESA-N 2 2 359.536 0.290 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CS(=O)(=O)C[C@H]3OC)CC2)CC1 ZINC001618638370 1289924746 /nfs/dbraw/zinc/92/47/46/1289924746.db2.gz VRWKENMYQXAPJE-DLBZAZTESA-N 2 2 359.536 0.290 20 0 FCADLP C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001621967723 1290076463 /nfs/dbraw/zinc/07/64/63/1290076463.db2.gz PBYHQRVWNVDMMP-AEFFLSMTSA-N 2 2 366.531 0.979 20 0 FCADLP C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001621967723 1290076471 /nfs/dbraw/zinc/07/64/71/1290076471.db2.gz PBYHQRVWNVDMMP-AEFFLSMTSA-N 2 2 366.531 0.979 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001739900465 1290430080 /nfs/dbraw/zinc/43/00/80/1290430080.db2.gz KYPSMSUCBVRIIH-ARFHVFGLSA-N 2 2 361.490 0.848 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001739900465 1290430084 /nfs/dbraw/zinc/43/00/84/1290430084.db2.gz KYPSMSUCBVRIIH-ARFHVFGLSA-N 2 2 361.490 0.848 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001740038202 1290475770 /nfs/dbraw/zinc/47/57/70/1290475770.db2.gz IGRJYJKNBLVCNO-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001740038202 1290475776 /nfs/dbraw/zinc/47/57/76/1290475776.db2.gz IGRJYJKNBLVCNO-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1C(N)=O ZINC001628813717 1290555950 /nfs/dbraw/zinc/55/59/50/1290555950.db2.gz HLTJSNRGDQGWAA-OAHLLOKOSA-N 2 2 359.474 0.729 20 0 FCADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1C(N)=O ZINC001628813717 1290555959 /nfs/dbraw/zinc/55/59/59/1290555959.db2.gz HLTJSNRGDQGWAA-OAHLLOKOSA-N 2 2 359.474 0.729 20 0 FCADLP C[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001741851703 1290562337 /nfs/dbraw/zinc/56/23/37/1290562337.db2.gz LBPBKFZIPNOEHU-CVEARBPZSA-N 2 2 366.510 0.501 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001748173586 1290598255 /nfs/dbraw/zinc/59/82/55/1290598255.db2.gz UMPKSAAPHXGCPR-GPMSIDNRSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001748173586 1290598265 /nfs/dbraw/zinc/59/82/65/1290598265.db2.gz UMPKSAAPHXGCPR-GPMSIDNRSA-N 2 2 361.490 0.968 20 0 FCADLP COc1nccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001754186448 1290625997 /nfs/dbraw/zinc/62/59/97/1290625997.db2.gz XKDDRLKLIRLHTG-LPUOJRKPSA-N 2 2 356.430 0.784 20 0 FCADLP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001757082508 1290712289 /nfs/dbraw/zinc/71/22/89/1290712289.db2.gz NIKJNRBOIOJIBO-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371821 1290879948 /nfs/dbraw/zinc/87/99/48/1290879948.db2.gz LXAUQKOUMHDBND-DOTOQJQBSA-N 2 2 365.499 0.459 20 0 FCADLP O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371821 1290879961 /nfs/dbraw/zinc/87/99/61/1290879961.db2.gz LXAUQKOUMHDBND-DOTOQJQBSA-N 2 2 365.499 0.459 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001649432738 1291149265 /nfs/dbraw/zinc/14/92/65/1291149265.db2.gz BEMPYVNMOHVCIP-IMJJTQAJSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001649432738 1291149271 /nfs/dbraw/zinc/14/92/71/1291149271.db2.gz BEMPYVNMOHVCIP-IMJJTQAJSA-N 2 2 361.490 0.956 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc2)CC1 ZINC001656049035 1291495973 /nfs/dbraw/zinc/49/59/73/1291495973.db2.gz GTARQWVPKDKPDC-UHFFFAOYSA-N 2 2 367.515 0.987 20 0 FCADLP C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001656449378 1291524207 /nfs/dbraw/zinc/52/42/07/1291524207.db2.gz HBDVDUGOSCOXTN-XDHUDOTRSA-N 2 2 351.516 0.920 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC001658586721 1291627814 /nfs/dbraw/zinc/62/78/14/1291627814.db2.gz WPDKONBXRCSVCD-GOSISDBHSA-N 2 2 373.457 0.698 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nn1 ZINC001658586721 1291627820 /nfs/dbraw/zinc/62/78/20/1291627820.db2.gz WPDKONBXRCSVCD-GOSISDBHSA-N 2 2 373.457 0.698 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001666700933 1291918479 /nfs/dbraw/zinc/91/84/79/1291918479.db2.gz QMSPBRCPPMAOKS-NVXWUHKLSA-N 2 2 352.504 0.904 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001666700933 1291918484 /nfs/dbraw/zinc/91/84/84/1291918484.db2.gz QMSPBRCPPMAOKS-NVXWUHKLSA-N 2 2 352.504 0.904 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)CC1 ZINC001667866584 1291947345 /nfs/dbraw/zinc/94/73/45/1291947345.db2.gz HEMQYCLJLLBJEX-DZGCQCFKSA-N 2 2 351.495 0.498 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)[C@@H]1CC)[NH+](C)C ZINC001689192344 1294659120 /nfs/dbraw/zinc/65/91/20/1294659120.db2.gz BCJIDTZARZXENT-ZNMIVQPWSA-N 2 2 362.478 0.724 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)[C@@H]1CC)[NH+](C)C ZINC001689192344 1294659126 /nfs/dbraw/zinc/65/91/26/1294659126.db2.gz BCJIDTZARZXENT-ZNMIVQPWSA-N 2 2 362.478 0.724 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCCS(=O)(=O)CC ZINC001689195931 1294662184 /nfs/dbraw/zinc/66/21/84/1294662184.db2.gz AJAKJIHCAXPPGM-JKSUJKDBSA-N 2 2 359.536 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCCS(=O)(=O)CC ZINC001689195931 1294662195 /nfs/dbraw/zinc/66/21/95/1294662195.db2.gz AJAKJIHCAXPPGM-JKSUJKDBSA-N 2 2 359.536 0.876 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001690479278 1294870708 /nfs/dbraw/zinc/87/07/08/1294870708.db2.gz BGQHFQKSFDFVKW-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001690739546 1294882032 /nfs/dbraw/zinc/88/20/32/1294882032.db2.gz SUHGECAWEKPRTD-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001691757588 1294918857 /nfs/dbraw/zinc/91/88/57/1294918857.db2.gz ORYOXGIKLXBPDN-OCCSQVGLSA-N 2 2 364.450 0.006 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001691757588 1294918865 /nfs/dbraw/zinc/91/88/65/1294918865.db2.gz ORYOXGIKLXBPDN-OCCSQVGLSA-N 2 2 364.450 0.006 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)[nH+]2)CC1 ZINC001164423540 718915554 /nfs/dbraw/zinc/91/55/54/718915554.db2.gz INLRTYAKNHDDOT-LJQANCHMSA-N 3 2 361.490 0.419 20 0 FCADLP COCCN1C[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C1=O ZINC001164904013 721574514 /nfs/dbraw/zinc/57/45/14/721574514.db2.gz SWVUBRORQBWKIJ-JKSUJKDBSA-N 2 2 359.474 0.374 20 0 FCADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927080 721850553 /nfs/dbraw/zinc/85/05/53/721850553.db2.gz JISDKOWVSBVPAE-SJORKVTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927080 721850555 /nfs/dbraw/zinc/85/05/55/721850555.db2.gz JISDKOWVSBVPAE-SJORKVTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927080 721850556 /nfs/dbraw/zinc/85/05/56/721850556.db2.gz JISDKOWVSBVPAE-SJORKVTESA-N 2 2 359.522 0.443 20 0 FCADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929162 721884883 /nfs/dbraw/zinc/88/48/83/721884883.db2.gz AGYPVSHZQWLBHX-IAGOWNOFSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929162 721884885 /nfs/dbraw/zinc/88/48/85/721884885.db2.gz AGYPVSHZQWLBHX-IAGOWNOFSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929162 721884888 /nfs/dbraw/zinc/88/48/88/721884888.db2.gz AGYPVSHZQWLBHX-IAGOWNOFSA-N 2 2 359.522 0.443 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001065713209 837410247 /nfs/dbraw/zinc/41/02/47/837410247.db2.gz OALIJXRNNYDBGB-BRWVUGGUSA-N 2 2 350.507 0.729 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928830 837565146 /nfs/dbraw/zinc/56/51/46/837565146.db2.gz LDVULYSGWYEWND-JSJMCTAYSA-N 2 2 364.881 0.714 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928830 837565150 /nfs/dbraw/zinc/56/51/50/837565150.db2.gz LDVULYSGWYEWND-JSJMCTAYSA-N 2 2 364.881 0.714 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076526 837614193 /nfs/dbraw/zinc/61/41/93/837614193.db2.gz RBRSHGRGSGQUKQ-LMQVBRGUSA-N 2 2 352.870 0.714 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076526 837614197 /nfs/dbraw/zinc/61/41/97/837614197.db2.gz RBRSHGRGSGQUKQ-LMQVBRGUSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076526 837614201 /nfs/dbraw/zinc/61/42/01/837614201.db2.gz RBRSHGRGSGQUKQ-LMQVBRGUSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076526 837614204 /nfs/dbraw/zinc/61/42/04/837614204.db2.gz RBRSHGRGSGQUKQ-LMQVBRGUSA-N 2 2 352.870 0.714 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001071061068 837721529 /nfs/dbraw/zinc/72/15/29/837721529.db2.gz MGRYJLPEMWDHDJ-QBIMZIAESA-N 2 2 350.463 0.709 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001071061068 837721537 /nfs/dbraw/zinc/72/15/37/837721537.db2.gz MGRYJLPEMWDHDJ-QBIMZIAESA-N 2 2 350.463 0.709 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001071098645 837733104 /nfs/dbraw/zinc/73/31/04/837733104.db2.gz XLVIPFNMVHGHPS-QBIMZIAESA-N 2 2 350.463 0.329 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001099314311 844018449 /nfs/dbraw/zinc/01/84/49/844018449.db2.gz LRLDNKIYBKTXEY-IJLUTSLNSA-N 2 2 359.352 0.210 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099325362 844024252 /nfs/dbraw/zinc/02/42/52/844024252.db2.gz MSFGGNCLWVKCCX-VXGBXAGGSA-N 2 2 356.352 0.828 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099332705 844029095 /nfs/dbraw/zinc/02/90/95/844029095.db2.gz ITLJHXGPIJRTGP-IJLUTSLNSA-N 2 2 361.368 0.205 20 0 FCADLP CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388631210 836055110 /nfs/dbraw/zinc/05/51/10/836055110.db2.gz OZFAANWHUADVBT-IRXDYDNUSA-N 2 2 367.515 0.871 20 0 FCADLP CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388631210 836055122 /nfs/dbraw/zinc/05/51/22/836055122.db2.gz OZFAANWHUADVBT-IRXDYDNUSA-N 2 2 367.515 0.871 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000746463054 836182720 /nfs/dbraw/zinc/18/27/20/836182720.db2.gz IHDXVWTVHHMNPL-UHFFFAOYSA-N 2 2 358.508 0.599 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000746463054 836182721 /nfs/dbraw/zinc/18/27/21/836182721.db2.gz IHDXVWTVHHMNPL-UHFFFAOYSA-N 2 2 358.508 0.599 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001101317225 844145169 /nfs/dbraw/zinc/14/51/69/844145169.db2.gz PAZDSXKISFYYOY-WBVHZDCISA-N 2 2 368.503 0.488 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001101317225 844145175 /nfs/dbraw/zinc/14/51/75/844145175.db2.gz PAZDSXKISFYYOY-WBVHZDCISA-N 2 2 368.503 0.488 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750241215 836412327 /nfs/dbraw/zinc/41/23/27/836412327.db2.gz COPZNNYBCLUCLS-UHFFFAOYSA-N 2 2 351.451 0.479 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750241215 836412330 /nfs/dbraw/zinc/41/23/30/836412330.db2.gz COPZNNYBCLUCLS-UHFFFAOYSA-N 2 2 351.451 0.479 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101432697 844185739 /nfs/dbraw/zinc/18/57/39/844185739.db2.gz XOZSKACFWSBSKW-CJNGLKHVSA-N 2 2 353.492 0.397 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101432697 844185743 /nfs/dbraw/zinc/18/57/43/844185743.db2.gz XOZSKACFWSBSKW-CJNGLKHVSA-N 2 2 353.492 0.397 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812906 838118175 /nfs/dbraw/zinc/11/81/75/838118175.db2.gz XMZQNUZREUYORR-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812906 838118182 /nfs/dbraw/zinc/11/81/82/838118182.db2.gz XMZQNUZREUYORR-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812906 838118190 /nfs/dbraw/zinc/11/81/90/838118190.db2.gz XMZQNUZREUYORR-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812906 838118197 /nfs/dbraw/zinc/11/81/97/838118197.db2.gz XMZQNUZREUYORR-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812907 838118411 /nfs/dbraw/zinc/11/84/11/838118411.db2.gz XMZQNUZREUYORR-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812907 838118415 /nfs/dbraw/zinc/11/84/15/838118415.db2.gz XMZQNUZREUYORR-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812907 838118421 /nfs/dbraw/zinc/11/84/21/838118421.db2.gz XMZQNUZREUYORR-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001076812907 838118424 /nfs/dbraw/zinc/11/84/24/838118424.db2.gz XMZQNUZREUYORR-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077003062 838208744 /nfs/dbraw/zinc/20/87/44/838208744.db2.gz QZAJWLFTTFXWPJ-BZUAXINKSA-N 2 2 367.881 0.040 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077003062 838208753 /nfs/dbraw/zinc/20/87/53/838208753.db2.gz QZAJWLFTTFXWPJ-BZUAXINKSA-N 2 2 367.881 0.040 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128071 838752628 /nfs/dbraw/zinc/75/26/28/838752628.db2.gz VWBOINLUAAXNMF-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128071 838752635 /nfs/dbraw/zinc/75/26/35/838752635.db2.gz VWBOINLUAAXNMF-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128071 838752641 /nfs/dbraw/zinc/75/26/41/838752641.db2.gz VWBOINLUAAXNMF-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128071 838752646 /nfs/dbraw/zinc/75/26/46/838752646.db2.gz VWBOINLUAAXNMF-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132021 838759255 /nfs/dbraw/zinc/75/92/55/838759255.db2.gz PFWWGSSUVCOEPN-BRWVUGGUSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132021 838759262 /nfs/dbraw/zinc/75/92/62/838759262.db2.gz PFWWGSSUVCOEPN-BRWVUGGUSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132021 838759268 /nfs/dbraw/zinc/75/92/68/838759268.db2.gz PFWWGSSUVCOEPN-BRWVUGGUSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132021 838759275 /nfs/dbraw/zinc/75/92/75/838759275.db2.gz PFWWGSSUVCOEPN-BRWVUGGUSA-N 2 2 350.463 0.907 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553733 839030172 /nfs/dbraw/zinc/03/01/72/839030172.db2.gz QBAVCADBRKEBAF-NUEKZKHPSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553733 839030177 /nfs/dbraw/zinc/03/01/77/839030177.db2.gz QBAVCADBRKEBAF-NUEKZKHPSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553733 839030186 /nfs/dbraw/zinc/03/01/86/839030186.db2.gz QBAVCADBRKEBAF-NUEKZKHPSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077553733 839030196 /nfs/dbraw/zinc/03/01/96/839030196.db2.gz QBAVCADBRKEBAF-NUEKZKHPSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554116 839030491 /nfs/dbraw/zinc/03/04/91/839030491.db2.gz YWZBVRNXOWWLMB-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554116 839030506 /nfs/dbraw/zinc/03/05/06/839030506.db2.gz YWZBVRNXOWWLMB-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554116 839030517 /nfs/dbraw/zinc/03/05/17/839030517.db2.gz YWZBVRNXOWWLMB-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554116 839030524 /nfs/dbraw/zinc/03/05/24/839030524.db2.gz YWZBVRNXOWWLMB-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)sn1 ZINC001077573002 839048446 /nfs/dbraw/zinc/04/84/46/839048446.db2.gz YUTYGNSCBMEPSF-WMHQRMGPSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)sn1 ZINC001077573002 839048460 /nfs/dbraw/zinc/04/84/60/839048460.db2.gz YUTYGNSCBMEPSF-WMHQRMGPSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)sn1 ZINC001077573002 839048474 /nfs/dbraw/zinc/04/84/74/839048474.db2.gz YUTYGNSCBMEPSF-WMHQRMGPSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)sn1 ZINC001077573002 839048483 /nfs/dbraw/zinc/04/84/83/839048483.db2.gz YUTYGNSCBMEPSF-WMHQRMGPSA-N 2 2 352.504 0.843 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077762005 839141743 /nfs/dbraw/zinc/14/17/43/839141743.db2.gz DBBDNGKMVYRXNE-ARFHVFGLSA-N 2 2 350.463 0.737 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077762005 839141753 /nfs/dbraw/zinc/14/17/53/839141753.db2.gz DBBDNGKMVYRXNE-ARFHVFGLSA-N 2 2 350.463 0.737 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102088175 844409126 /nfs/dbraw/zinc/40/91/26/844409126.db2.gz QJKCNEIWNSCQSD-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102088175 844409131 /nfs/dbraw/zinc/40/91/31/844409131.db2.gz QJKCNEIWNSCQSD-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC001077892762 839211746 /nfs/dbraw/zinc/21/17/46/839211746.db2.gz IXHKBXFNRJSIRI-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC001077892762 839211754 /nfs/dbraw/zinc/21/17/54/839211754.db2.gz IXHKBXFNRJSIRI-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001102105332 844416792 /nfs/dbraw/zinc/41/67/92/844416792.db2.gz NKHXWLMGFOJGSM-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001102105332 844416796 /nfs/dbraw/zinc/41/67/96/844416796.db2.gz NKHXWLMGFOJGSM-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005977 839287714 /nfs/dbraw/zinc/28/77/14/839287714.db2.gz OUUKJJWGJCYHLW-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005977 839287728 /nfs/dbraw/zinc/28/77/28/839287728.db2.gz OUUKJJWGJCYHLW-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005977 839287740 /nfs/dbraw/zinc/28/77/40/839287740.db2.gz OUUKJJWGJCYHLW-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005977 839287745 /nfs/dbraw/zinc/28/77/45/839287745.db2.gz OUUKJJWGJCYHLW-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231303 839496525 /nfs/dbraw/zinc/49/65/25/839496525.db2.gz DCBFYZBHMNSIDE-XHSDSOJGSA-N 2 2 355.454 0.226 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231303 839496527 /nfs/dbraw/zinc/49/65/27/839496527.db2.gz DCBFYZBHMNSIDE-XHSDSOJGSA-N 2 2 355.454 0.226 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001079526574 839543117 /nfs/dbraw/zinc/54/31/17/839543117.db2.gz OVBCMRZOTXBHPR-YUELXQCFSA-N 2 2 351.451 0.078 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001079526574 839543123 /nfs/dbraw/zinc/54/31/23/839543123.db2.gz OVBCMRZOTXBHPR-YUELXQCFSA-N 2 2 351.451 0.078 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001079526574 839543128 /nfs/dbraw/zinc/54/31/28/839543128.db2.gz OVBCMRZOTXBHPR-YUELXQCFSA-N 2 2 351.451 0.078 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001079526574 839543137 /nfs/dbraw/zinc/54/31/37/839543137.db2.gz OVBCMRZOTXBHPR-YUELXQCFSA-N 2 2 351.451 0.078 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317794 839701734 /nfs/dbraw/zinc/70/17/34/839701734.db2.gz AYYZTDLOQCPVFX-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317794 839701748 /nfs/dbraw/zinc/70/17/48/839701748.db2.gz AYYZTDLOQCPVFX-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080317794 839701753 /nfs/dbraw/zinc/70/17/53/839701753.db2.gz AYYZTDLOQCPVFX-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080317794 839701767 /nfs/dbraw/zinc/70/17/67/839701767.db2.gz AYYZTDLOQCPVFX-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445881 839932393 /nfs/dbraw/zinc/93/23/93/839932393.db2.gz FRLRDSRYGQLCHW-BZUAXINKSA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445881 839932399 /nfs/dbraw/zinc/93/23/99/839932399.db2.gz FRLRDSRYGQLCHW-BZUAXINKSA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081445881 839932405 /nfs/dbraw/zinc/93/24/05/839932405.db2.gz FRLRDSRYGQLCHW-BZUAXINKSA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081445881 839932407 /nfs/dbraw/zinc/93/24/07/839932407.db2.gz FRLRDSRYGQLCHW-BZUAXINKSA-N 2 2 352.504 0.904 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081952045 840120912 /nfs/dbraw/zinc/12/09/12/840120912.db2.gz RBJXXRGXPFFRLX-YSVLISHTSA-N 2 2 350.463 0.612 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081952045 840120919 /nfs/dbraw/zinc/12/09/19/840120919.db2.gz RBJXXRGXPFFRLX-YSVLISHTSA-N 2 2 350.463 0.612 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)s1 ZINC001102467027 844510007 /nfs/dbraw/zinc/51/00/07/844510007.db2.gz DQAZVMPIBNGVEX-UKRRQHHQSA-N 2 2 367.519 0.753 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)s1 ZINC001102467027 844510009 /nfs/dbraw/zinc/51/00/09/844510009.db2.gz DQAZVMPIBNGVEX-UKRRQHHQSA-N 2 2 367.519 0.753 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222397 840247545 /nfs/dbraw/zinc/24/75/45/840247545.db2.gz YFKWVUUDAKIZTM-ARFHVFGLSA-N 2 2 355.458 0.622 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222397 840247554 /nfs/dbraw/zinc/24/75/54/840247554.db2.gz YFKWVUUDAKIZTM-ARFHVFGLSA-N 2 2 355.458 0.622 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345977 840327899 /nfs/dbraw/zinc/32/78/99/840327899.db2.gz KOAPFUMJOFRSCB-USXIJHARSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345977 840327910 /nfs/dbraw/zinc/32/79/10/840327910.db2.gz KOAPFUMJOFRSCB-USXIJHARSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](OC)C2)o1 ZINC001082370972 840357363 /nfs/dbraw/zinc/35/73/63/840357363.db2.gz MAXDOSYNJZWZRZ-GDBMZVCRSA-N 2 2 350.463 0.957 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](OC)C2)o1 ZINC001082370972 840357375 /nfs/dbraw/zinc/35/73/75/840357375.db2.gz MAXDOSYNJZWZRZ-GDBMZVCRSA-N 2 2 350.463 0.957 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458349 840420380 /nfs/dbraw/zinc/42/03/80/840420380.db2.gz JQQSAHNMWTVGKT-RBSFLKMASA-N 2 2 350.467 0.126 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458349 840420386 /nfs/dbraw/zinc/42/03/86/840420386.db2.gz JQQSAHNMWTVGKT-RBSFLKMASA-N 2 2 350.467 0.126 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1csnn1 ZINC001082558233 840465391 /nfs/dbraw/zinc/46/53/91/840465391.db2.gz GGRVEXUGYKOJJQ-BPLDGKMQSA-N 2 2 363.491 0.302 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590202 840477586 /nfs/dbraw/zinc/47/75/86/840477586.db2.gz JETQFHJSUKMBFE-AAVRWANBSA-N 2 2 351.451 0.288 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590202 840477593 /nfs/dbraw/zinc/47/75/93/840477593.db2.gz JETQFHJSUKMBFE-AAVRWANBSA-N 2 2 351.451 0.288 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)oc1C ZINC001082590399 840478565 /nfs/dbraw/zinc/47/85/65/840478565.db2.gz UUFQKSZYGVEERX-CZPYZCIJSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)oc1C ZINC001082590399 840478570 /nfs/dbraw/zinc/47/85/70/840478570.db2.gz UUFQKSZYGVEERX-CZPYZCIJSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)s1 ZINC001082702871 840530398 /nfs/dbraw/zinc/53/03/98/840530398.db2.gz MHEMWARYZRAYMD-BPLDGKMQSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)s1 ZINC001082702871 840530403 /nfs/dbraw/zinc/53/04/03/840530403.db2.gz MHEMWARYZRAYMD-BPLDGKMQSA-N 2 2 367.519 0.892 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C ZINC001102580924 844574506 /nfs/dbraw/zinc/57/45/06/844574506.db2.gz QRSGYSKQAVVMEY-QLFBSQMISA-N 2 2 367.519 0.691 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C ZINC001102580924 844574511 /nfs/dbraw/zinc/57/45/11/844574511.db2.gz QRSGYSKQAVVMEY-QLFBSQMISA-N 2 2 367.519 0.691 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719389 841352039 /nfs/dbraw/zinc/35/20/39/841352039.db2.gz BRCRJRNNSCHBRW-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719389 841352046 /nfs/dbraw/zinc/35/20/46/841352046.db2.gz BRCRJRNNSCHBRW-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719389 841352059 /nfs/dbraw/zinc/35/20/59/841352059.db2.gz BRCRJRNNSCHBRW-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719389 841352071 /nfs/dbraw/zinc/35/20/71/841352071.db2.gz BRCRJRNNSCHBRW-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719843 841353761 /nfs/dbraw/zinc/35/37/61/841353761.db2.gz YWZBVRNXOWWLMB-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719843 841353768 /nfs/dbraw/zinc/35/37/68/841353768.db2.gz YWZBVRNXOWWLMB-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719843 841353777 /nfs/dbraw/zinc/35/37/77/841353777.db2.gz YWZBVRNXOWWLMB-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719843 841353790 /nfs/dbraw/zinc/35/37/90/841353790.db2.gz YWZBVRNXOWWLMB-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719816 841354677 /nfs/dbraw/zinc/35/46/77/841354677.db2.gz XRMHCPBUVUQBHQ-XHSDSOJGSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719816 841354682 /nfs/dbraw/zinc/35/46/82/841354682.db2.gz XRMHCPBUVUQBHQ-XHSDSOJGSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719816 841354698 /nfs/dbraw/zinc/35/46/98/841354698.db2.gz XRMHCPBUVUQBHQ-XHSDSOJGSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719816 841354710 /nfs/dbraw/zinc/35/47/10/841354710.db2.gz XRMHCPBUVUQBHQ-XHSDSOJGSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)sn1 ZINC001083727353 841368027 /nfs/dbraw/zinc/36/80/27/841368027.db2.gz YUTYGNSCBMEPSF-UGQVUOCMSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)sn1 ZINC001083727353 841368037 /nfs/dbraw/zinc/36/80/37/841368037.db2.gz YUTYGNSCBMEPSF-UGQVUOCMSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)sn1 ZINC001083727353 841368051 /nfs/dbraw/zinc/36/80/51/841368051.db2.gz YUTYGNSCBMEPSF-UGQVUOCMSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)sn1 ZINC001083727353 841368062 /nfs/dbraw/zinc/36/80/62/841368062.db2.gz YUTYGNSCBMEPSF-UGQVUOCMSA-N 2 2 352.504 0.843 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799832 861195954 /nfs/dbraw/zinc/19/59/54/861195954.db2.gz OAKWUADRZJTAQS-MCIONIFRSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799832 861195956 /nfs/dbraw/zinc/19/59/56/861195956.db2.gz OAKWUADRZJTAQS-MCIONIFRSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[NH+]1CC[C@@H](O)C1)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799832 861195959 /nfs/dbraw/zinc/19/59/59/861195959.db2.gz OAKWUADRZJTAQS-MCIONIFRSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[NH+]1CC[C@@H](O)C1)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799832 861195961 /nfs/dbraw/zinc/19/59/61/861195961.db2.gz OAKWUADRZJTAQS-MCIONIFRSA-N 2 2 365.396 0.307 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)s1 ZINC001083833094 841478775 /nfs/dbraw/zinc/47/87/75/841478775.db2.gz IYXNXFAYQOWMLN-CVEARBPZSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)s1 ZINC001083833094 841478784 /nfs/dbraw/zinc/47/87/84/841478784.db2.gz IYXNXFAYQOWMLN-CVEARBPZSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)cs1 ZINC001083887608 841534226 /nfs/dbraw/zinc/53/42/26/841534226.db2.gz BBTKRCARJYNQJQ-SJORKVTESA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)cs1 ZINC001083887608 841534232 /nfs/dbraw/zinc/53/42/32/841534232.db2.gz BBTKRCARJYNQJQ-SJORKVTESA-N 2 2 366.531 0.887 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054002 841668453 /nfs/dbraw/zinc/66/84/53/841668453.db2.gz SKTMYGXAIFQYDV-CFVMTHIKSA-N 2 2 361.471 0.304 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054002 841668461 /nfs/dbraw/zinc/66/84/61/841668461.db2.gz SKTMYGXAIFQYDV-CFVMTHIKSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054002 841668468 /nfs/dbraw/zinc/66/84/68/841668468.db2.gz SKTMYGXAIFQYDV-CFVMTHIKSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054002 841668474 /nfs/dbraw/zinc/66/84/74/841668474.db2.gz SKTMYGXAIFQYDV-CFVMTHIKSA-N 2 2 361.471 0.304 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231732 841750793 /nfs/dbraw/zinc/75/07/93/841750793.db2.gz JTFKOCYCIBNFRB-OWCLPIDISA-N 2 2 364.515 0.845 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084231732 841750799 /nfs/dbraw/zinc/75/07/99/841750799.db2.gz JTFKOCYCIBNFRB-OWCLPIDISA-N 2 2 364.515 0.845 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231732 841750805 /nfs/dbraw/zinc/75/08/05/841750805.db2.gz JTFKOCYCIBNFRB-OWCLPIDISA-N 2 2 364.515 0.845 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084231732 841750808 /nfs/dbraw/zinc/75/08/08/841750808.db2.gz JTFKOCYCIBNFRB-OWCLPIDISA-N 2 2 364.515 0.845 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084448000 841795249 /nfs/dbraw/zinc/79/52/49/841795249.db2.gz FTNFOZBJMRROPK-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084448000 841795259 /nfs/dbraw/zinc/79/52/59/841795259.db2.gz FTNFOZBJMRROPK-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001084448478 841797228 /nfs/dbraw/zinc/79/72/28/841797228.db2.gz ZCDMLXVAXAJNCE-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001084448478 841797235 /nfs/dbraw/zinc/79/72/35/841797235.db2.gz ZCDMLXVAXAJNCE-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084522339 841823745 /nfs/dbraw/zinc/82/37/45/841823745.db2.gz WIPLUTSLHOEWPN-BZUAXINKSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084522339 841823758 /nfs/dbraw/zinc/82/37/58/841823758.db2.gz WIPLUTSLHOEWPN-BZUAXINKSA-N 2 2 366.487 0.159 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538488 841824336 /nfs/dbraw/zinc/82/43/36/841824336.db2.gz JCDCFTSUBDUHJH-TVFCKZIOSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538488 841824348 /nfs/dbraw/zinc/82/43/48/841824348.db2.gz JCDCFTSUBDUHJH-TVFCKZIOSA-N 2 2 351.491 0.807 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831714 841926350 /nfs/dbraw/zinc/92/63/50/841926350.db2.gz XFQNHBZCAQTXGH-ARFHVFGLSA-N 2 2 355.504 0.050 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831714 841926357 /nfs/dbraw/zinc/92/63/57/841926357.db2.gz XFQNHBZCAQTXGH-ARFHVFGLSA-N 2 2 355.504 0.050 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911651 841952983 /nfs/dbraw/zinc/95/29/83/841952983.db2.gz RKBPTCVESIPSDS-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911651 841952994 /nfs/dbraw/zinc/95/29/94/841952994.db2.gz RKBPTCVESIPSDS-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911651 841953005 /nfs/dbraw/zinc/95/30/05/841953005.db2.gz RKBPTCVESIPSDS-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911651 841953015 /nfs/dbraw/zinc/95/30/15/841953015.db2.gz RKBPTCVESIPSDS-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001085093804 842013699 /nfs/dbraw/zinc/01/36/99/842013699.db2.gz DTKFPHQFJQFSIG-CABCVRRESA-N 2 2 354.476 0.159 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001085093804 842013709 /nfs/dbraw/zinc/01/37/09/842013709.db2.gz DTKFPHQFJQFSIG-CABCVRRESA-N 2 2 354.476 0.159 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)O1 ZINC001085242606 842053827 /nfs/dbraw/zinc/05/38/27/842053827.db2.gz ZCSCLSQQEMPEJN-KBUPBQIOSA-N 2 2 350.467 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)O1 ZINC001085242606 842053834 /nfs/dbraw/zinc/05/38/34/842053834.db2.gz ZCSCLSQQEMPEJN-KBUPBQIOSA-N 2 2 350.467 0.051 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)nc1=O ZINC001085244968 842054752 /nfs/dbraw/zinc/05/47/52/842054752.db2.gz GKYVFGYSBJPBRX-MGPQQGTHSA-N 2 2 350.467 0.110 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)nc1=O ZINC001085244968 842054763 /nfs/dbraw/zinc/05/47/63/842054763.db2.gz GKYVFGYSBJPBRX-MGPQQGTHSA-N 2 2 350.467 0.110 20 0 FCADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086400722 842131160 /nfs/dbraw/zinc/13/11/60/842131160.db2.gz UOOPHCMJXLHGRV-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086400722 842131163 /nfs/dbraw/zinc/13/11/63/842131163.db2.gz UOOPHCMJXLHGRV-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086665107 842145839 /nfs/dbraw/zinc/14/58/39/842145839.db2.gz QWZKBCJHWUZAET-RRFJBIMHSA-N 2 2 350.467 0.003 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086665107 842145843 /nfs/dbraw/zinc/14/58/43/842145843.db2.gz QWZKBCJHWUZAET-RRFJBIMHSA-N 2 2 350.467 0.003 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)s1 ZINC001086665972 842147214 /nfs/dbraw/zinc/14/72/14/842147214.db2.gz VJUZVZRIAAAGEI-BFHYXJOUSA-N 2 2 367.519 0.806 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)s1 ZINC001086665972 842147219 /nfs/dbraw/zinc/14/72/19/842147219.db2.gz VJUZVZRIAAAGEI-BFHYXJOUSA-N 2 2 367.519 0.806 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086732027 842161255 /nfs/dbraw/zinc/16/12/55/842161255.db2.gz QMYRANKUTINEHT-FAAHXZRKSA-N 2 2 351.451 0.472 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086732027 842161261 /nfs/dbraw/zinc/16/12/61/842161261.db2.gz QMYRANKUTINEHT-FAAHXZRKSA-N 2 2 351.451 0.472 20 0 FCADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276015772 861290290 /nfs/dbraw/zinc/29/02/90/861290290.db2.gz IQFHAZLLHMWXTM-QGZVFWFLSA-N 2 2 369.897 0.747 20 0 FCADLP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276015772 861290308 /nfs/dbraw/zinc/29/03/08/861290308.db2.gz IQFHAZLLHMWXTM-QGZVFWFLSA-N 2 2 369.897 0.747 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001087219802 842320906 /nfs/dbraw/zinc/32/09/06/842320906.db2.gz PBUDWQAGXPILSB-YCPHGPKFSA-N 2 2 368.503 0.604 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087659682 842396822 /nfs/dbraw/zinc/39/68/22/842396822.db2.gz VPMPQMIABKFIOQ-HRCADAONSA-N 2 2 368.503 0.595 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087659682 842396831 /nfs/dbraw/zinc/39/68/31/842396831.db2.gz VPMPQMIABKFIOQ-HRCADAONSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088493335 842586727 /nfs/dbraw/zinc/58/67/27/842586727.db2.gz IAWOGXWUZJGPFL-ILXRZTDVSA-N 2 2 352.504 0.891 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088493335 842586730 /nfs/dbraw/zinc/58/67/30/842586730.db2.gz IAWOGXWUZJGPFL-ILXRZTDVSA-N 2 2 352.504 0.891 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493335 842586732 /nfs/dbraw/zinc/58/67/32/842586732.db2.gz IAWOGXWUZJGPFL-ILXRZTDVSA-N 2 2 352.504 0.891 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493335 842586735 /nfs/dbraw/zinc/58/67/35/842586735.db2.gz IAWOGXWUZJGPFL-ILXRZTDVSA-N 2 2 352.504 0.891 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750221 842666485 /nfs/dbraw/zinc/66/64/85/842666485.db2.gz CDWYGYYLLHAVAL-PMPSAXMXSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750221 842666490 /nfs/dbraw/zinc/66/64/90/842666490.db2.gz CDWYGYYLLHAVAL-PMPSAXMXSA-N 2 2 368.503 0.595 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088860245 842697270 /nfs/dbraw/zinc/69/72/70/842697270.db2.gz BUVJMKFGYLXZPL-PMPSAXMXSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088860245 842697272 /nfs/dbraw/zinc/69/72/72/842697272.db2.gz BUVJMKFGYLXZPL-PMPSAXMXSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088860245 842697276 /nfs/dbraw/zinc/69/72/76/842697276.db2.gz BUVJMKFGYLXZPL-PMPSAXMXSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088860245 842697279 /nfs/dbraw/zinc/69/72/79/842697279.db2.gz BUVJMKFGYLXZPL-PMPSAXMXSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088939324 842723504 /nfs/dbraw/zinc/72/35/04/842723504.db2.gz JZQIZMDLTHRCFP-ZACQAIPSSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088939324 842723511 /nfs/dbraw/zinc/72/35/11/842723511.db2.gz JZQIZMDLTHRCFP-ZACQAIPSSA-N 2 2 371.547 0.732 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252818 861377038 /nfs/dbraw/zinc/37/70/38/861377038.db2.gz ZVMKZQIYZVEWHG-SUMWQHHRSA-N 2 2 350.419 0.033 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252818 861377043 /nfs/dbraw/zinc/37/70/43/861377043.db2.gz ZVMKZQIYZVEWHG-SUMWQHHRSA-N 2 2 350.419 0.033 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092504594 843222495 /nfs/dbraw/zinc/22/24/95/843222495.db2.gz SJSBMQLAFOOJCV-MCIONIFRSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)n1 ZINC001092504594 843222504 /nfs/dbraw/zinc/22/25/04/843222504.db2.gz SJSBMQLAFOOJCV-MCIONIFRSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)n1 ZINC001092504594 843222512 /nfs/dbraw/zinc/22/25/12/843222512.db2.gz SJSBMQLAFOOJCV-MCIONIFRSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@H](C)C2)n1 ZINC001092504594 843222522 /nfs/dbraw/zinc/22/25/22/843222522.db2.gz SJSBMQLAFOOJCV-MCIONIFRSA-N 2 2 351.451 0.494 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)no1 ZINC001092725729 843289102 /nfs/dbraw/zinc/28/91/02/843289102.db2.gz XQFBSTHLIQYYCE-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)no1 ZINC001092725729 843289112 /nfs/dbraw/zinc/28/91/12/843289112.db2.gz XQFBSTHLIQYYCE-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)no1 ZINC001092725729 843289119 /nfs/dbraw/zinc/28/91/19/843289119.db2.gz XQFBSTHLIQYYCE-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)no1 ZINC001092725729 843289131 /nfs/dbraw/zinc/28/91/31/843289131.db2.gz XQFBSTHLIQYYCE-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092979659 843358769 /nfs/dbraw/zinc/35/87/69/843358769.db2.gz KBDNQIGNNWPJPG-KBUPBQIOSA-N 2 2 368.503 0.252 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092979659 843358777 /nfs/dbraw/zinc/35/87/77/843358777.db2.gz KBDNQIGNNWPJPG-KBUPBQIOSA-N 2 2 368.503 0.252 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194037 843404402 /nfs/dbraw/zinc/40/44/02/843404402.db2.gz UUFFKKDGANFIFW-RBSFLKMASA-N 2 2 352.458 0.383 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194037 843404407 /nfs/dbraw/zinc/40/44/07/843404407.db2.gz UUFFKKDGANFIFW-RBSFLKMASA-N 2 2 352.458 0.383 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194037 843404415 /nfs/dbraw/zinc/40/44/15/843404415.db2.gz UUFFKKDGANFIFW-RBSFLKMASA-N 2 2 352.458 0.383 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194037 843404422 /nfs/dbraw/zinc/40/44/22/843404422.db2.gz UUFFKKDGANFIFW-RBSFLKMASA-N 2 2 352.458 0.383 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212340 843409944 /nfs/dbraw/zinc/40/99/44/843409944.db2.gz MHRWFYWZOGIHIL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212340 843409945 /nfs/dbraw/zinc/40/99/45/843409945.db2.gz MHRWFYWZOGIHIL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212340 843409953 /nfs/dbraw/zinc/40/99/53/843409953.db2.gz MHRWFYWZOGIHIL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212340 843409959 /nfs/dbraw/zinc/40/99/59/843409959.db2.gz MHRWFYWZOGIHIL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450865 843435469 /nfs/dbraw/zinc/43/54/69/843435469.db2.gz YHAFNNJDDBGVQF-LMSBXDPUSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450865 843435473 /nfs/dbraw/zinc/43/54/73/843435473.db2.gz YHAFNNJDDBGVQF-LMSBXDPUSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454201 843436118 /nfs/dbraw/zinc/43/61/18/843436118.db2.gz AAHFUFRVDZRRTL-XYVMCAHJSA-N 2 2 350.463 0.232 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094166885 843525179 /nfs/dbraw/zinc/52/51/79/843525179.db2.gz QUHMQHMPRJGSOJ-QLFBSQMISA-N 2 2 368.503 0.081 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001094189944 843527997 /nfs/dbraw/zinc/52/79/97/843527997.db2.gz UBXOJXYZRYZBRD-BPLDGKMQSA-N 2 2 368.503 0.379 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001094232443 843537332 /nfs/dbraw/zinc/53/73/32/843537332.db2.gz VYLWJZVNVPSBKD-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001094232443 843537340 /nfs/dbraw/zinc/53/73/40/843537340.db2.gz VYLWJZVNVPSBKD-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](C)C2)C1 ZINC001094232438 843538176 /nfs/dbraw/zinc/53/81/76/843538176.db2.gz VXMUBDLGVYCULD-YUELXQCFSA-N 2 2 350.467 0.018 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)[nH]3)[C@H](C)C2)C1 ZINC001094232438 843538183 /nfs/dbraw/zinc/53/81/83/843538183.db2.gz VXMUBDLGVYCULD-YUELXQCFSA-N 2 2 350.467 0.018 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094254936 843541040 /nfs/dbraw/zinc/54/10/40/843541040.db2.gz XXTFYPVFCATBCG-QLFBSQMISA-N 2 2 354.476 0.002 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096016035 843772557 /nfs/dbraw/zinc/77/25/57/843772557.db2.gz XUQXZDSEUPOUBX-COJSNBRMSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096016035 843772561 /nfs/dbraw/zinc/77/25/61/843772561.db2.gz XUQXZDSEUPOUBX-COJSNBRMSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096016035 843772567 /nfs/dbraw/zinc/77/25/67/843772567.db2.gz XUQXZDSEUPOUBX-COJSNBRMSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096016035 843772572 /nfs/dbraw/zinc/77/25/72/843772572.db2.gz XUQXZDSEUPOUBX-COJSNBRMSA-N 2 2 354.470 0.666 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223365 843979672 /nfs/dbraw/zinc/97/96/72/843979672.db2.gz PHMPGDADCUXPIR-UTUOFQBUSA-N 2 2 360.384 0.388 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223365 843979677 /nfs/dbraw/zinc/97/96/77/843979677.db2.gz PHMPGDADCUXPIR-UTUOFQBUSA-N 2 2 360.384 0.388 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099284758 844004614 /nfs/dbraw/zinc/00/46/14/844004614.db2.gz KLRIJGLIUAJKCR-MCIONIFRSA-N 2 2 367.412 0.459 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099284758 844004620 /nfs/dbraw/zinc/00/46/20/844004620.db2.gz KLRIJGLIUAJKCR-MCIONIFRSA-N 2 2 367.412 0.459 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258488 844726786 /nfs/dbraw/zinc/72/67/86/844726786.db2.gz CFEVSFLBJSNNHM-BZUAXINKSA-N 2 2 352.479 0.434 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258488 844726794 /nfs/dbraw/zinc/72/67/94/844726794.db2.gz CFEVSFLBJSNNHM-BZUAXINKSA-N 2 2 352.479 0.434 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103517613 844772025 /nfs/dbraw/zinc/77/20/25/844772025.db2.gz UXZVUFRKXUDIRV-ARFHVFGLSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103517613 844772031 /nfs/dbraw/zinc/77/20/31/844772031.db2.gz UXZVUFRKXUDIRV-ARFHVFGLSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103517613 844772035 /nfs/dbraw/zinc/77/20/35/844772035.db2.gz UXZVUFRKXUDIRV-ARFHVFGLSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103517613 844772042 /nfs/dbraw/zinc/77/20/42/844772042.db2.gz UXZVUFRKXUDIRV-ARFHVFGLSA-N 2 2 352.479 0.671 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610406 861497557 /nfs/dbraw/zinc/49/75/57/861497557.db2.gz QKEPRBBSPLGFAT-KBXCAEBGSA-N 2 2 353.463 0.731 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610406 861497561 /nfs/dbraw/zinc/49/75/61/861497561.db2.gz QKEPRBBSPLGFAT-KBXCAEBGSA-N 2 2 353.463 0.731 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779154 844821405 /nfs/dbraw/zinc/82/14/05/844821405.db2.gz OVXPBGVRSHMLFC-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779154 844821411 /nfs/dbraw/zinc/82/14/11/844821411.db2.gz OVXPBGVRSHMLFC-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104795235 844944521 /nfs/dbraw/zinc/94/45/21/844944521.db2.gz KKWUAZRJRNBLAN-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001105104681 844980895 /nfs/dbraw/zinc/98/08/95/844980895.db2.gz ALYQEJKUWXEMOG-ARFHVFGLSA-N 2 2 370.519 0.638 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655569 845010558 /nfs/dbraw/zinc/01/05/58/845010558.db2.gz JFEMQFWIYVOLEK-JOCBIADPSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105674576 845016676 /nfs/dbraw/zinc/01/66/76/845016676.db2.gz ZTHAUIZAGNSRQD-AHCXZYCDSA-N 2 2 350.463 0.232 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CCCO ZINC001106575027 845197864 /nfs/dbraw/zinc/19/78/64/845197864.db2.gz TVGCNSWIDNLALE-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CCCO ZINC001106575027 845197869 /nfs/dbraw/zinc/19/78/69/845197869.db2.gz TVGCNSWIDNLALE-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001106705171 845228631 /nfs/dbraw/zinc/22/86/31/845228631.db2.gz UYRSASGTPWLUJE-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106748245 845240087 /nfs/dbraw/zinc/24/00/87/845240087.db2.gz PJSMBLZTTCFYKU-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106748245 845240099 /nfs/dbraw/zinc/24/00/99/845240099.db2.gz PJSMBLZTTCFYKU-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O)OC ZINC001276701652 861547174 /nfs/dbraw/zinc/54/71/74/861547174.db2.gz NOKQHOLVAWOART-KRWDZBQOSA-N 2 2 350.419 0.343 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O)OC ZINC001276701652 861547181 /nfs/dbraw/zinc/54/71/81/861547181.db2.gz NOKQHOLVAWOART-KRWDZBQOSA-N 2 2 350.419 0.343 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800779 845255057 /nfs/dbraw/zinc/25/50/57/845255057.db2.gz KEVCWGXQDUDKJH-OAGGEKHMSA-N 2 2 352.479 0.670 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001106800712 845255280 /nfs/dbraw/zinc/25/52/80/845255280.db2.gz HZNGVINHQAASJE-BFHYXJOUSA-N 2 2 356.492 0.317 20 0 FCADLP COC(C)(C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276727405 861557708 /nfs/dbraw/zinc/55/77/08/861557708.db2.gz DKQLGBCUIRCCQL-SFHVURJKSA-N 2 2 350.463 0.859 20 0 FCADLP COC(C)(C)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276727405 861557713 /nfs/dbraw/zinc/55/77/13/861557713.db2.gz DKQLGBCUIRCCQL-SFHVURJKSA-N 2 2 350.463 0.859 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001107610349 845407552 /nfs/dbraw/zinc/40/75/52/845407552.db2.gz UYDFOECWZFWYSB-NVXWUHKLSA-N 2 2 368.503 0.368 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001107610349 845407558 /nfs/dbraw/zinc/40/75/58/845407558.db2.gz UYDFOECWZFWYSB-NVXWUHKLSA-N 2 2 368.503 0.368 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276756814 861582703 /nfs/dbraw/zinc/58/27/03/861582703.db2.gz FHBJQYJPFORGKK-KSSFIOAISA-N 2 2 353.463 0.336 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276756814 861582715 /nfs/dbraw/zinc/58/27/15/861582715.db2.gz FHBJQYJPFORGKK-KSSFIOAISA-N 2 2 353.463 0.336 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC001276761356 861588239 /nfs/dbraw/zinc/58/82/39/861588239.db2.gz DPJIUIFHFBSLAU-OAHLLOKOSA-N 2 2 362.396 0.247 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC001276761356 861588249 /nfs/dbraw/zinc/58/82/49/861588249.db2.gz DPJIUIFHFBSLAU-OAHLLOKOSA-N 2 2 362.396 0.247 20 0 FCADLP CC(C)CN1CCC2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001276764601 861589438 /nfs/dbraw/zinc/58/94/38/861589438.db2.gz CCEGYZWMJODVII-UHFFFAOYSA-N 2 2 350.507 0.731 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001109428100 845650119 /nfs/dbraw/zinc/65/01/19/845650119.db2.gz MWRKVRACJVSQAM-CVYDXHPNSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001109428100 845650124 /nfs/dbraw/zinc/65/01/24/845650124.db2.gz MWRKVRACJVSQAM-CVYDXHPNSA-N 2 2 350.507 0.820 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718836 845719798 /nfs/dbraw/zinc/71/97/98/845719798.db2.gz MCSOWDGPAYHCDE-YVSFHVDLSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718836 845719804 /nfs/dbraw/zinc/71/98/04/845719804.db2.gz MCSOWDGPAYHCDE-YVSFHVDLSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109718836 845719811 /nfs/dbraw/zinc/71/98/11/845719811.db2.gz MCSOWDGPAYHCDE-YVSFHVDLSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109718836 845719820 /nfs/dbraw/zinc/71/98/20/845719820.db2.gz MCSOWDGPAYHCDE-YVSFHVDLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843056 845745490 /nfs/dbraw/zinc/74/54/90/845745490.db2.gz ABKXPSWMYUGHKY-WCVJEAGWSA-N 2 2 352.479 0.084 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843056 845745493 /nfs/dbraw/zinc/74/54/93/845745493.db2.gz ABKXPSWMYUGHKY-WCVJEAGWSA-N 2 2 352.479 0.084 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109866562 845751722 /nfs/dbraw/zinc/75/17/22/845751722.db2.gz IMUFUPKTUALCQF-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001109866562 845751727 /nfs/dbraw/zinc/75/17/27/845751727.db2.gz IMUFUPKTUALCQF-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976182 845770329 /nfs/dbraw/zinc/77/03/29/845770329.db2.gz VYIWVVJHLLISSG-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976182 845770332 /nfs/dbraw/zinc/77/03/32/845770332.db2.gz VYIWVVJHLLISSG-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109976182 845770336 /nfs/dbraw/zinc/77/03/36/845770336.db2.gz VYIWVVJHLLISSG-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109976182 845770340 /nfs/dbraw/zinc/77/03/40/845770340.db2.gz VYIWVVJHLLISSG-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982496 845771633 /nfs/dbraw/zinc/77/16/33/845771633.db2.gz FZPKLKATEOKGMO-PMPSAXMXSA-N 2 2 369.531 0.629 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982496 845771641 /nfs/dbraw/zinc/77/16/41/845771641.db2.gz FZPKLKATEOKGMO-PMPSAXMXSA-N 2 2 369.531 0.629 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(C)(=O)=O ZINC001110002748 845774378 /nfs/dbraw/zinc/77/43/78/845774378.db2.gz SEEYVBCSWLVKSE-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(C)(=O)=O ZINC001110002748 845774381 /nfs/dbraw/zinc/77/43/81/845774381.db2.gz SEEYVBCSWLVKSE-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102359 845790895 /nfs/dbraw/zinc/79/08/95/845790895.db2.gz ZQWGNALNIVCNLZ-PMPSAXMXSA-N 2 2 372.535 0.133 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102359 845790902 /nfs/dbraw/zinc/79/09/02/845790902.db2.gz ZQWGNALNIVCNLZ-PMPSAXMXSA-N 2 2 372.535 0.133 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110158248 845808163 /nfs/dbraw/zinc/80/81/63/845808163.db2.gz JFQYTDDZRQCKOC-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110158248 845808166 /nfs/dbraw/zinc/80/81/66/845808166.db2.gz JFQYTDDZRQCKOC-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110158248 845808168 /nfs/dbraw/zinc/80/81/68/845808168.db2.gz JFQYTDDZRQCKOC-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110158248 845808171 /nfs/dbraw/zinc/80/81/71/845808171.db2.gz JFQYTDDZRQCKOC-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161953 845808856 /nfs/dbraw/zinc/80/88/56/845808856.db2.gz ZSRKDIKBOPEGJD-MUQADHOPSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161953 845808862 /nfs/dbraw/zinc/80/88/62/845808862.db2.gz ZSRKDIKBOPEGJD-MUQADHOPSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001110664774 845942888 /nfs/dbraw/zinc/94/28/88/845942888.db2.gz XFSVUNCBVBRVNX-JJXSEGSLSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001110664774 845942895 /nfs/dbraw/zinc/94/28/95/845942895.db2.gz XFSVUNCBVBRVNX-JJXSEGSLSA-N 2 2 369.531 0.627 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671028 845944944 /nfs/dbraw/zinc/94/49/44/845944944.db2.gz OEMNDMCZYVWZOT-DZUCGIPZSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671028 845944948 /nfs/dbraw/zinc/94/49/48/845944948.db2.gz OEMNDMCZYVWZOT-DZUCGIPZSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671028 845944951 /nfs/dbraw/zinc/94/49/51/845944951.db2.gz OEMNDMCZYVWZOT-DZUCGIPZSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671028 845944956 /nfs/dbraw/zinc/94/49/56/845944956.db2.gz OEMNDMCZYVWZOT-DZUCGIPZSA-N 2 2 371.547 0.873 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110816952 845977826 /nfs/dbraw/zinc/97/78/26/845977826.db2.gz GBNPTMUCKVBZJV-XZDPQHSOSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110816952 845977832 /nfs/dbraw/zinc/97/78/32/845977832.db2.gz GBNPTMUCKVBZJV-XZDPQHSOSA-N 2 2 368.503 0.594 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994989 846010222 /nfs/dbraw/zinc/01/02/22/846010222.db2.gz LXOUJZCPOYBWFG-LVQVYYBASA-N 2 2 374.551 0.233 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994989 846010233 /nfs/dbraw/zinc/01/02/33/846010233.db2.gz LXOUJZCPOYBWFG-LVQVYYBASA-N 2 2 374.551 0.233 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021414 846017077 /nfs/dbraw/zinc/01/70/77/846017077.db2.gz SWHPROGMDPCCGB-HZMVEIRTSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021414 846017080 /nfs/dbraw/zinc/01/70/80/846017080.db2.gz SWHPROGMDPCCGB-HZMVEIRTSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021414 846017087 /nfs/dbraw/zinc/01/70/87/846017087.db2.gz SWHPROGMDPCCGB-HZMVEIRTSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111021414 846017093 /nfs/dbraw/zinc/01/70/93/846017093.db2.gz SWHPROGMDPCCGB-HZMVEIRTSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001111036923 846019893 /nfs/dbraw/zinc/01/98/93/846019893.db2.gz AGOLZBYNNYURLO-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001111036923 846019907 /nfs/dbraw/zinc/01/99/07/846019907.db2.gz AGOLZBYNNYURLO-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001111465265 846118998 /nfs/dbraw/zinc/11/89/98/846118998.db2.gz LQRKUVDXBGRBRP-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001111465265 846119003 /nfs/dbraw/zinc/11/90/03/846119003.db2.gz LQRKUVDXBGRBRP-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001111465265 846119004 /nfs/dbraw/zinc/11/90/04/846119004.db2.gz LQRKUVDXBGRBRP-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001111465265 846119011 /nfs/dbraw/zinc/11/90/11/846119011.db2.gz LQRKUVDXBGRBRP-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)s1 ZINC001111938374 846269481 /nfs/dbraw/zinc/26/94/81/846269481.db2.gz YHJMAMPGFRHXNF-YOEHRIQHSA-N 2 2 367.519 0.895 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)s1 ZINC001111938374 846269488 /nfs/dbraw/zinc/26/94/88/846269488.db2.gz YHJMAMPGFRHXNF-YOEHRIQHSA-N 2 2 367.519 0.895 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112123416 846401522 /nfs/dbraw/zinc/40/15/22/846401522.db2.gz IUSGVGXOXSHPJK-JHJVBQTASA-N 2 2 360.380 0.807 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C(F)(F)F ZINC001112157924 846424577 /nfs/dbraw/zinc/42/45/77/846424577.db2.gz KIWFVIGIOOHUEP-FRRDWIJNSA-N 2 2 361.368 0.456 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C(F)(F)F ZINC001112157924 846424583 /nfs/dbraw/zinc/42/45/83/846424583.db2.gz KIWFVIGIOOHUEP-FRRDWIJNSA-N 2 2 361.368 0.456 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217704 846472701 /nfs/dbraw/zinc/47/27/01/846472701.db2.gz UHHAIZUKHWVWSE-VXGBXAGGSA-N 2 2 361.368 0.340 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCS(C)(=O)=O)C1 ZINC001112570075 846526058 /nfs/dbraw/zinc/52/60/58/846526058.db2.gz CGLZRDCQESGUKW-YOEHRIQHSA-N 2 2 368.503 0.524 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CCC[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC001119903579 848025797 /nfs/dbraw/zinc/02/57/97/848025797.db2.gz CTZUFSYGJBSAMQ-UHFFFAOYSA-N 4 2 356.555 0.154 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C[C@H](C)O)n3C)CC2)CC1 ZINC001121451605 848357301 /nfs/dbraw/zinc/35/73/01/848357301.db2.gz HKHZLYINNGVPCF-HNNXBMFYSA-N 2 2 350.511 0.735 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C[C@H](C)O)n3C)CC2)CC1 ZINC001121451605 848357310 /nfs/dbraw/zinc/35/73/10/848357310.db2.gz HKHZLYINNGVPCF-HNNXBMFYSA-N 2 2 350.511 0.735 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C2 ZINC001122119007 848450765 /nfs/dbraw/zinc/45/07/65/848450765.db2.gz AYUHENXROZVQDD-NHYWBVRUSA-N 2 2 360.380 0.699 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC001123475476 848595684 /nfs/dbraw/zinc/59/56/84/848595684.db2.gz ISJIHJFOXUNYML-BBWFWOEESA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC001123475476 848595691 /nfs/dbraw/zinc/59/56/91/848595691.db2.gz ISJIHJFOXUNYML-BBWFWOEESA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001123475476 848595698 /nfs/dbraw/zinc/59/56/98/848595698.db2.gz ISJIHJFOXUNYML-BBWFWOEESA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001123475476 848595699 /nfs/dbraw/zinc/59/56/99/848595699.db2.gz ISJIHJFOXUNYML-BBWFWOEESA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)C1 ZINC001123475476 848595707 /nfs/dbraw/zinc/59/57/07/848595707.db2.gz ISJIHJFOXUNYML-BBWFWOEESA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001123475476 848595713 /nfs/dbraw/zinc/59/57/13/848595713.db2.gz ISJIHJFOXUNYML-BBWFWOEESA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001123475476 848595717 /nfs/dbraw/zinc/59/57/17/848595717.db2.gz ISJIHJFOXUNYML-BBWFWOEESA-N 2 2 355.527 0.277 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001129985390 848926786 /nfs/dbraw/zinc/92/67/86/848926786.db2.gz VPINYOGIGVFMIJ-KGLIPLIRSA-N 2 2 363.491 0.618 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)s1 ZINC001129991937 848926814 /nfs/dbraw/zinc/92/68/14/848926814.db2.gz DDRPIHNPBDHKRU-KGLIPLIRSA-N 2 2 363.491 0.536 20 0 FCADLP CC(C)Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001130182588 848961654 /nfs/dbraw/zinc/96/16/54/848961654.db2.gz OJNNUBLFFDFYGK-MGPQQGTHSA-N 2 2 353.467 0.754 20 0 FCADLP CC(C)Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001130182588 848961658 /nfs/dbraw/zinc/96/16/58/848961658.db2.gz OJNNUBLFFDFYGK-MGPQQGTHSA-N 2 2 353.467 0.754 20 0 FCADLP CO[C@H](C)c1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC001130184121 848961711 /nfs/dbraw/zinc/96/17/11/848961711.db2.gz BGBXXIVKDSWMOK-YRGRVCCFSA-N 2 2 356.492 0.775 20 0 FCADLP CO[C@H](C)c1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC001130184121 848961717 /nfs/dbraw/zinc/96/17/17/848961717.db2.gz BGBXXIVKDSWMOK-YRGRVCCFSA-N 2 2 356.492 0.775 20 0 FCADLP CCCCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001130184583 848963557 /nfs/dbraw/zinc/96/35/57/848963557.db2.gz VPYMPUWFEAFPSN-HZSPNIEDSA-N 2 2 353.467 0.898 20 0 FCADLP CCCCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001130184583 848963563 /nfs/dbraw/zinc/96/35/63/848963563.db2.gz VPYMPUWFEAFPSN-HZSPNIEDSA-N 2 2 353.467 0.898 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3([NH+](C)C)CCC3)n[nH]2)O1 ZINC001130790075 849044208 /nfs/dbraw/zinc/04/42/08/849044208.db2.gz GNDQFSHVHNAKQR-QWHCGFSZSA-N 2 2 350.467 0.735 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130809148 849047441 /nfs/dbraw/zinc/04/74/41/849047441.db2.gz JLWYECVFUWWCIK-MELADBBJSA-N 2 2 352.483 0.981 20 0 FCADLP COCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613883 849131229 /nfs/dbraw/zinc/13/12/29/849131229.db2.gz QTQILVNPFCIOJG-SJORKVTESA-N 2 2 357.495 0.389 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1 ZINC001134045753 849171065 /nfs/dbraw/zinc/17/10/65/849171065.db2.gz PDOARBOAKPQMIK-ARFHVFGLSA-N 2 2 350.463 0.815 20 0 FCADLP Cc1csc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001134049966 849171120 /nfs/dbraw/zinc/17/11/20/849171120.db2.gz XMVDXQDYUZXVSV-VXGBXAGGSA-N 2 2 362.459 0.633 20 0 FCADLP COCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150356852 849662705 /nfs/dbraw/zinc/66/27/05/849662705.db2.gz GUOFBDYWSGXCGI-BZUAXINKSA-N 2 2 350.463 0.767 20 0 FCADLP COCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150356852 849662714 /nfs/dbraw/zinc/66/27/14/849662714.db2.gz GUOFBDYWSGXCGI-BZUAXINKSA-N 2 2 350.463 0.767 20 0 FCADLP CC[N@H+](CC(=O)N(C)C(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997918 849773618 /nfs/dbraw/zinc/77/36/18/849773618.db2.gz DTYOISSQVLTHGR-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CC[N@@H+](CC(=O)N(C)C(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997918 849773623 /nfs/dbraw/zinc/77/36/23/849773623.db2.gz DTYOISSQVLTHGR-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CC[NH+](CC(=O)N(C)C(C)C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997918 849773627 /nfs/dbraw/zinc/77/36/27/849773627.db2.gz DTYOISSQVLTHGR-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CC[NH+](CC(=O)N(C)C(C)C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997918 849773632 /nfs/dbraw/zinc/77/36/32/849773632.db2.gz DTYOISSQVLTHGR-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCNS(=O)(=O)c1cccnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156185514 849894455 /nfs/dbraw/zinc/89/44/55/849894455.db2.gz RGDURLJHCNDGTJ-UHFFFAOYSA-N 2 2 355.508 0.818 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C ZINC001158006745 850011062 /nfs/dbraw/zinc/01/10/62/850011062.db2.gz NRIMMLCNKUVKTL-LSDHHAIUSA-N 2 2 353.850 0.834 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241025 850027683 /nfs/dbraw/zinc/02/76/83/850027683.db2.gz QBFXVPLBSPRFOI-QWHCGFSZSA-N 3 2 359.396 0.965 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001159077338 850095395 /nfs/dbraw/zinc/09/53/95/850095395.db2.gz OUENYESKXXZVIT-MQIPJXDCSA-N 2 2 363.405 0.224 20 0 FCADLP CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001160148409 850154856 /nfs/dbraw/zinc/15/48/56/850154856.db2.gz SIHVRXTXRBMBOK-YPMHNXCESA-N 2 2 365.503 0.145 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001160169474 850156527 /nfs/dbraw/zinc/15/65/27/850156527.db2.gz SFOYTJGYLOIVQZ-DLBZAZTESA-N 2 2 371.547 0.900 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001160169474 850156535 /nfs/dbraw/zinc/15/65/35/850156535.db2.gz SFOYTJGYLOIVQZ-DLBZAZTESA-N 2 2 371.547 0.900 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001160169474 850156539 /nfs/dbraw/zinc/15/65/39/850156539.db2.gz SFOYTJGYLOIVQZ-DLBZAZTESA-N 2 2 371.547 0.900 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001160169474 850156546 /nfs/dbraw/zinc/15/65/46/850156546.db2.gz SFOYTJGYLOIVQZ-DLBZAZTESA-N 2 2 371.547 0.900 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1CC[NH2+]C[C@@H]1F)C2 ZINC001160381107 850168883 /nfs/dbraw/zinc/16/88/83/850168883.db2.gz QKMFXZCBKLPZOH-KBPBESRZSA-N 2 2 352.458 0.798 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1CC[NH2+]C[C@@H]1F)C2 ZINC001160381107 850168889 /nfs/dbraw/zinc/16/88/89/850168889.db2.gz QKMFXZCBKLPZOH-KBPBESRZSA-N 2 2 352.458 0.798 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160912645 850213257 /nfs/dbraw/zinc/21/32/57/850213257.db2.gz LSUGYGPQTVFRCF-ZDUSSCGKSA-N 2 2 364.837 0.803 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CSCc2ccc(C)cc2)C1 ZINC001161137985 850232224 /nfs/dbraw/zinc/23/22/24/850232224.db2.gz JPMZKOFVZBQVBZ-WMLDXEAASA-N 2 2 351.472 0.658 20 0 FCADLP CS(=O)(=O)c1cccc(C2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)c1 ZINC001161367792 850253801 /nfs/dbraw/zinc/25/38/01/850253801.db2.gz UOKMBHQOBWEYRF-ZBFHGGJFSA-N 2 2 351.472 0.485 20 0 FCADLP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380336 850255589 /nfs/dbraw/zinc/25/55/89/850255589.db2.gz URFBMXZQSJZSFI-HUUCEWRRSA-N 3 2 354.495 0.460 20 0 FCADLP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376753 850256077 /nfs/dbraw/zinc/25/60/77/850256077.db2.gz CUEZOXHEGSBPKI-GJZGRUSLSA-N 3 2 354.495 0.330 20 0 FCADLP O=C(NCCC[NH2+]Cc1cncs1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995710 850342225 /nfs/dbraw/zinc/34/22/25/850342225.db2.gz FAAMBQWXJQLOLT-ZBFHGGJFSA-N 2 2 368.503 0.619 20 0 FCADLP O=C(NCCC[NH2+]Cc1cnns1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996166 850342359 /nfs/dbraw/zinc/34/23/59/850342359.db2.gz OHTDDHZEVAIETG-HIFRSBDPSA-N 2 2 369.491 0.014 20 0 FCADLP CCOCCN1C[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)OCC1=O ZINC001277835608 862122714 /nfs/dbraw/zinc/12/27/14/862122714.db2.gz LQTMUZHMYJUFRT-WMZOPIPTSA-N 2 2 357.495 0.029 20 0 FCADLP CCOCCN1C[C@@]2(CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2)OCC1=O ZINC001277835608 862122724 /nfs/dbraw/zinc/12/27/24/862122724.db2.gz LQTMUZHMYJUFRT-WMZOPIPTSA-N 2 2 357.495 0.029 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001166960955 850515015 /nfs/dbraw/zinc/51/50/15/850515015.db2.gz LILZFGKMPAHCDX-BFHYXJOUSA-N 2 2 354.476 0.054 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166968048 850516855 /nfs/dbraw/zinc/51/68/55/850516855.db2.gz KNZOFIRVTGMRJC-ARFHVFGLSA-N 2 2 352.479 0.653 20 0 FCADLP CCNS(=O)(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(Cl)c1 ZINC001169071838 850604027 /nfs/dbraw/zinc/60/40/27/850604027.db2.gz GANMLNAIONHCIA-SECBINFHSA-N 2 2 359.839 0.081 20 0 FCADLP Nc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1I ZINC001169072478 850604203 /nfs/dbraw/zinc/60/42/03/850604203.db2.gz OJIKYGCRFJXKGK-SSDOTTSWSA-N 2 2 359.171 0.316 20 0 FCADLP NC(=O)c1c(C(F)(F)F)cc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169070758 850604523 /nfs/dbraw/zinc/60/45/23/850604523.db2.gz AENXZCYWRKTMCI-ZCFIWIBFSA-N 2 2 363.727 0.901 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169130892 850606216 /nfs/dbraw/zinc/60/62/16/850606216.db2.gz PKMCPNDRTCAFLG-LTIDMASMSA-N 2 2 351.491 0.998 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169130892 850606222 /nfs/dbraw/zinc/60/62/22/850606222.db2.gz PKMCPNDRTCAFLG-LTIDMASMSA-N 2 2 351.491 0.998 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001171501310 850686579 /nfs/dbraw/zinc/68/65/79/850686579.db2.gz RZMCPVOXKAWJMV-GZBFAFLISA-N 2 2 353.467 0.862 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001171501310 850686588 /nfs/dbraw/zinc/68/65/88/850686588.db2.gz RZMCPVOXKAWJMV-GZBFAFLISA-N 2 2 353.467 0.862 20 0 FCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878388 850698552 /nfs/dbraw/zinc/69/85/52/850698552.db2.gz JZISIVRANXRERH-ZACQAIPSSA-N 2 2 357.495 0.123 20 0 FCADLP C[NH+](C)CCNC(=S)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001278101461 862187156 /nfs/dbraw/zinc/18/71/56/862187156.db2.gz LQISOYJTAWEDLA-QGZVFWFLSA-N 2 2 364.519 0.244 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=S)NCC[NH+](C)C)C1=O ZINC001278105389 862190973 /nfs/dbraw/zinc/19/09/73/862190973.db2.gz UCYBIHIYSXFLAY-QGZVFWFLSA-N 2 2 364.519 0.423 20 0 FCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180612051 851053560 /nfs/dbraw/zinc/05/35/60/851053560.db2.gz JTYDRCVKUYVXEU-UHFFFAOYSA-N 2 2 353.492 0.655 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1([NH+](C)C)CC1 ZINC001182598060 851183087 /nfs/dbraw/zinc/18/30/87/851183087.db2.gz YFTPHVFVBVRHIG-WMLDXEAASA-N 2 2 353.463 0.336 20 0 FCADLP O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC(F)(F)F ZINC001183403758 851245859 /nfs/dbraw/zinc/24/58/59/851245859.db2.gz VAVSKBWDQLZAMJ-GMTAPVOTSA-N 2 2 359.352 0.382 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001188107679 851646651 /nfs/dbraw/zinc/64/66/51/851646651.db2.gz VRFDBEWGZYVKPH-SOUVJXGZSA-N 2 2 363.499 0.244 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001188107679 851646652 /nfs/dbraw/zinc/64/66/52/851646652.db2.gz VRFDBEWGZYVKPH-SOUVJXGZSA-N 2 2 363.499 0.244 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995990 851742073 /nfs/dbraw/zinc/74/20/73/851742073.db2.gz ZABUYCFCJQUQEW-NVXWUHKLSA-N 2 2 352.504 0.589 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995990 851742078 /nfs/dbraw/zinc/74/20/78/851742078.db2.gz ZABUYCFCJQUQEW-NVXWUHKLSA-N 2 2 352.504 0.589 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117749 851753699 /nfs/dbraw/zinc/75/36/99/851753699.db2.gz LWQBHAHNHQTXJH-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117749 851753703 /nfs/dbraw/zinc/75/37/03/851753703.db2.gz LWQBHAHNHQTXJH-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117749 851753709 /nfs/dbraw/zinc/75/37/09/851753709.db2.gz LWQBHAHNHQTXJH-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117749 851753713 /nfs/dbraw/zinc/75/37/13/851753713.db2.gz LWQBHAHNHQTXJH-IXDOHACOSA-N 2 2 371.547 0.828 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001189898048 851839410 /nfs/dbraw/zinc/83/94/10/851839410.db2.gz BZLKKCNGLWQVRX-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001189898048 851839425 /nfs/dbraw/zinc/83/94/25/851839425.db2.gz BZLKKCNGLWQVRX-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189898048 851839434 /nfs/dbraw/zinc/83/94/34/851839434.db2.gz BZLKKCNGLWQVRX-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189898048 851839441 /nfs/dbraw/zinc/83/94/41/851839441.db2.gz BZLKKCNGLWQVRX-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168305 851869078 /nfs/dbraw/zinc/86/90/78/851869078.db2.gz OSKAYRUWIDWSTE-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168305 851869083 /nfs/dbraw/zinc/86/90/83/851869083.db2.gz OSKAYRUWIDWSTE-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001190481260 851911002 /nfs/dbraw/zinc/91/10/02/851911002.db2.gz RUMQMVSECWOGBB-QLFBSQMISA-N 2 2 354.476 0.097 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001190481260 851911004 /nfs/dbraw/zinc/91/10/04/851911004.db2.gz RUMQMVSECWOGBB-QLFBSQMISA-N 2 2 354.476 0.097 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480611 851911089 /nfs/dbraw/zinc/91/10/89/851911089.db2.gz GGUSFBQDKSCVAM-YESZJQIVSA-N 2 2 350.463 0.449 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480611 851911092 /nfs/dbraw/zinc/91/10/92/851911092.db2.gz GGUSFBQDKSCVAM-YESZJQIVSA-N 2 2 350.463 0.449 20 0 FCADLP C[N@H+](CCCF)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468312 852081240 /nfs/dbraw/zinc/08/12/40/852081240.db2.gz CGQTTYOIAVWMBQ-ZACQAIPSSA-N 2 2 357.470 0.759 20 0 FCADLP C[N@@H+](CCCF)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468312 852081251 /nfs/dbraw/zinc/08/12/51/852081251.db2.gz CGQTTYOIAVWMBQ-ZACQAIPSSA-N 2 2 357.470 0.759 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001192581129 852258445 /nfs/dbraw/zinc/25/84/45/852258445.db2.gz UDGOHGMQCVPPOU-VXGBXAGGSA-N 2 2 364.368 0.473 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001192581129 852258463 /nfs/dbraw/zinc/25/84/63/852258463.db2.gz UDGOHGMQCVPPOU-VXGBXAGGSA-N 2 2 364.368 0.473 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001193447594 852429350 /nfs/dbraw/zinc/42/93/50/852429350.db2.gz SJSISZAIFWBKJJ-RRFJBIMHSA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001193447594 852429353 /nfs/dbraw/zinc/42/93/53/852429353.db2.gz SJSISZAIFWBKJJ-RRFJBIMHSA-N 2 2 358.483 0.793 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193756459 852482831 /nfs/dbraw/zinc/48/28/31/852482831.db2.gz RKFOYTQMHSMQRE-BZUAXINKSA-N 2 2 350.463 0.739 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193756459 852482838 /nfs/dbraw/zinc/48/28/38/852482838.db2.gz RKFOYTQMHSMQRE-BZUAXINKSA-N 2 2 350.463 0.739 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O)[NH+](C)C ZINC001194085506 852534833 /nfs/dbraw/zinc/53/48/33/852534833.db2.gz AXRKFLISBQLNRK-BZUAXINKSA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O)[NH+](C)C ZINC001194085506 852534836 /nfs/dbraw/zinc/53/48/36/852534836.db2.gz AXRKFLISBQLNRK-BZUAXINKSA-N 2 2 353.438 0.836 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191285 852555678 /nfs/dbraw/zinc/55/56/78/852555678.db2.gz JJRXNSSIYRBJQB-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191285 852555687 /nfs/dbraw/zinc/55/56/87/852555687.db2.gz JJRXNSSIYRBJQB-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC1 ZINC001195677893 852811878 /nfs/dbraw/zinc/81/18/78/852811878.db2.gz WTKCLLAQRGIPDZ-ZIAGYGMSSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC1 ZINC001195677893 852811882 /nfs/dbraw/zinc/81/18/82/852811882.db2.gz WTKCLLAQRGIPDZ-ZIAGYGMSSA-N 2 2 355.870 0.040 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701940 852814572 /nfs/dbraw/zinc/81/45/72/852814572.db2.gz UVANTZMTAXCBAQ-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701940 852814576 /nfs/dbraw/zinc/81/45/76/852814576.db2.gz UVANTZMTAXCBAQ-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP COc1ccc(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cn1 ZINC001195715115 852816598 /nfs/dbraw/zinc/81/65/98/852816598.db2.gz HPZIPXDQTKHUBX-UHFFFAOYSA-N 2 2 368.503 0.738 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195973198 852858936 /nfs/dbraw/zinc/85/89/36/852858936.db2.gz QDXWXWOMSFVTFS-BRWVUGGUSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195973198 852858943 /nfs/dbraw/zinc/85/89/43/852858943.db2.gz QDXWXWOMSFVTFS-BRWVUGGUSA-N 2 2 352.479 0.793 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)ccn1 ZINC001195973518 852858966 /nfs/dbraw/zinc/85/89/66/852858966.db2.gz WCVWATINHDVHDC-BFYDXBDKSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)ccn1 ZINC001195973518 852858971 /nfs/dbraw/zinc/85/89/71/852858971.db2.gz WCVWATINHDVHDC-BFYDXBDKSA-N 2 2 350.463 0.338 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001196090430 852888401 /nfs/dbraw/zinc/88/84/01/852888401.db2.gz HYPLZWBFSRFUOY-FVQBIDKESA-N 2 2 350.463 0.806 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001197724196 853153026 /nfs/dbraw/zinc/15/30/26/853153026.db2.gz PGHJFLBORJDWNG-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001197724196 853153029 /nfs/dbraw/zinc/15/30/29/853153029.db2.gz PGHJFLBORJDWNG-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001198292539 853246163 /nfs/dbraw/zinc/24/61/63/853246163.db2.gz QCKFQFPHZZFSKH-BPLDGKMQSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001198292539 853246170 /nfs/dbraw/zinc/24/61/70/853246170.db2.gz QCKFQFPHZZFSKH-BPLDGKMQSA-N 2 2 356.417 0.949 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848769 853334875 /nfs/dbraw/zinc/33/48/75/853334875.db2.gz VIYUEGCUJLPYNC-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848769 853334880 /nfs/dbraw/zinc/33/48/80/853334880.db2.gz VIYUEGCUJLPYNC-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848769 853334889 /nfs/dbraw/zinc/33/48/89/853334889.db2.gz VIYUEGCUJLPYNC-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848769 853334895 /nfs/dbraw/zinc/33/48/95/853334895.db2.gz VIYUEGCUJLPYNC-MCIONIFRSA-N 2 2 367.412 0.601 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001199097172 853369913 /nfs/dbraw/zinc/36/99/13/853369913.db2.gz WTGMNGRWEFCITJ-FGTMMUONSA-N 2 2 353.507 0.839 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001199097172 853369923 /nfs/dbraw/zinc/36/99/23/853369923.db2.gz WTGMNGRWEFCITJ-FGTMMUONSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001199097172 853369933 /nfs/dbraw/zinc/36/99/33/853369933.db2.gz WTGMNGRWEFCITJ-FGTMMUONSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001199097172 853369942 /nfs/dbraw/zinc/36/99/42/853369942.db2.gz WTGMNGRWEFCITJ-FGTMMUONSA-N 2 2 353.507 0.839 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CCC1 ZINC001199397841 853419243 /nfs/dbraw/zinc/41/92/43/853419243.db2.gz DBTWQWOWTCZVCR-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CCC1 ZINC001199397841 853419252 /nfs/dbraw/zinc/41/92/52/853419252.db2.gz DBTWQWOWTCZVCR-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001199397868 853419588 /nfs/dbraw/zinc/41/95/88/853419588.db2.gz DWHBYDCHJAJYMW-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001199397868 853419591 /nfs/dbraw/zinc/41/95/91/853419591.db2.gz DWHBYDCHJAJYMW-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001206325034 853678643 /nfs/dbraw/zinc/67/86/43/853678643.db2.gz CMCFDNFTMQZMHU-HUUCEWRRSA-N 2 2 368.503 0.396 20 0 FCADLP COC[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325557 853678702 /nfs/dbraw/zinc/67/87/02/853678702.db2.gz LQLYZJJRMWQIPG-ARFHVFGLSA-N 2 2 350.463 0.359 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955578 853764186 /nfs/dbraw/zinc/76/41/86/853764186.db2.gz YPHRFXIVTZKLMU-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955578 853764190 /nfs/dbraw/zinc/76/41/90/853764190.db2.gz YPHRFXIVTZKLMU-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955578 853764195 /nfs/dbraw/zinc/76/41/95/853764195.db2.gz YPHRFXIVTZKLMU-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955578 853764199 /nfs/dbraw/zinc/76/41/99/853764199.db2.gz YPHRFXIVTZKLMU-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1)C1CC1 ZINC001207708853 853844309 /nfs/dbraw/zinc/84/43/09/853844309.db2.gz KDPGSNDMRWLPPG-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1)C1CC1 ZINC001207708853 853844313 /nfs/dbraw/zinc/84/43/13/853844313.db2.gz KDPGSNDMRWLPPG-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C1CC1 ZINC001207708853 853844314 /nfs/dbraw/zinc/84/43/14/853844314.db2.gz KDPGSNDMRWLPPG-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1)C1CC1 ZINC001207708853 853844315 /nfs/dbraw/zinc/84/43/15/853844315.db2.gz KDPGSNDMRWLPPG-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001207708303 853845198 /nfs/dbraw/zinc/84/51/98/853845198.db2.gz CDQKBTWMYQYYCJ-OIISXLGYSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001207708303 853845201 /nfs/dbraw/zinc/84/52/01/853845201.db2.gz CDQKBTWMYQYYCJ-OIISXLGYSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001207708303 853845205 /nfs/dbraw/zinc/84/52/05/853845205.db2.gz CDQKBTWMYQYYCJ-OIISXLGYSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001207708303 853845209 /nfs/dbraw/zinc/84/52/09/853845209.db2.gz CDQKBTWMYQYYCJ-OIISXLGYSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001207709389 853845448 /nfs/dbraw/zinc/84/54/48/853845448.db2.gz VSVYPASMLFRNBN-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001207709389 853845451 /nfs/dbraw/zinc/84/54/51/853845451.db2.gz VSVYPASMLFRNBN-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001207709389 853845456 /nfs/dbraw/zinc/84/54/56/853845456.db2.gz VSVYPASMLFRNBN-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001207709389 853845461 /nfs/dbraw/zinc/84/54/61/853845461.db2.gz VSVYPASMLFRNBN-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207767381 853855763 /nfs/dbraw/zinc/85/57/63/853855763.db2.gz VIZNVCLAGSNKJP-GDBMZVCRSA-N 2 2 368.503 0.389 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207767381 853855764 /nfs/dbraw/zinc/85/57/64/853855764.db2.gz VIZNVCLAGSNKJP-GDBMZVCRSA-N 2 2 368.503 0.389 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859641 853864218 /nfs/dbraw/zinc/86/42/18/853864218.db2.gz VYDZCQABSAZCSM-HZPDHXFCSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859641 853864221 /nfs/dbraw/zinc/86/42/21/853864221.db2.gz VYDZCQABSAZCSM-HZPDHXFCSA-N 2 2 350.507 0.824 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001208004717 853881598 /nfs/dbraw/zinc/88/15/98/853881598.db2.gz BOXDMBUHRQOWPY-UKRRQHHQSA-N 2 2 350.467 0.336 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001208004717 853881599 /nfs/dbraw/zinc/88/15/99/853881599.db2.gz BOXDMBUHRQOWPY-UKRRQHHQSA-N 2 2 350.467 0.336 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208113848 853897988 /nfs/dbraw/zinc/89/79/88/853897988.db2.gz IWBNMLDVFHPEAD-DJIMGWMZSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208113848 853897992 /nfs/dbraw/zinc/89/79/92/853897992.db2.gz IWBNMLDVFHPEAD-DJIMGWMZSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208113849 853898041 /nfs/dbraw/zinc/89/80/41/853898041.db2.gz IWBNMLDVFHPEAD-OIISXLGYSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001208113849 853898044 /nfs/dbraw/zinc/89/80/44/853898044.db2.gz IWBNMLDVFHPEAD-OIISXLGYSA-N 2 2 371.547 0.732 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208590757 853957348 /nfs/dbraw/zinc/95/73/48/853957348.db2.gz JWIBBSDDUDAJNN-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208590757 853957355 /nfs/dbraw/zinc/95/73/55/853957355.db2.gz JWIBBSDDUDAJNN-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208590757 853957359 /nfs/dbraw/zinc/95/73/59/853957359.db2.gz JWIBBSDDUDAJNN-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208590757 853957366 /nfs/dbraw/zinc/95/73/66/853957366.db2.gz JWIBBSDDUDAJNN-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CN(C)C(=O)C1CC[NH+](C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001209289909 854016129 /nfs/dbraw/zinc/01/61/29/854016129.db2.gz IGVXQWUMGUHZRT-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001209642682 854043653 /nfs/dbraw/zinc/04/36/53/854043653.db2.gz MVLHVYVLGUSRQI-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001209642682 854043657 /nfs/dbraw/zinc/04/36/57/854043657.db2.gz MVLHVYVLGUSRQI-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698637 854047073 /nfs/dbraw/zinc/04/70/73/854047073.db2.gz SIRURUFEACYZBO-IAGOWNOFSA-N 2 2 352.523 0.927 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698637 854047076 /nfs/dbraw/zinc/04/70/76/854047076.db2.gz SIRURUFEACYZBO-IAGOWNOFSA-N 2 2 352.523 0.927 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)no1 ZINC001211054180 854151753 /nfs/dbraw/zinc/15/17/53/854151753.db2.gz IUSLWXRTLIOGIW-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)no1 ZINC001211054180 854151756 /nfs/dbraw/zinc/15/17/56/854151756.db2.gz IUSLWXRTLIOGIW-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212353072 854446820 /nfs/dbraw/zinc/44/68/20/854446820.db2.gz JHPUTNOEDRNFHS-BZUAXINKSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212353072 854446822 /nfs/dbraw/zinc/44/68/22/854446822.db2.gz JHPUTNOEDRNFHS-BZUAXINKSA-N 2 2 356.442 0.978 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212384849 854459071 /nfs/dbraw/zinc/45/90/71/854459071.db2.gz ACKBIWMXRDTHQI-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212384849 854459075 /nfs/dbraw/zinc/45/90/75/854459075.db2.gz ACKBIWMXRDTHQI-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CCC1 ZINC001212384849 854459078 /nfs/dbraw/zinc/45/90/78/854459078.db2.gz ACKBIWMXRDTHQI-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CCC1 ZINC001212384849 854459081 /nfs/dbraw/zinc/45/90/81/854459081.db2.gz ACKBIWMXRDTHQI-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451349 854483983 /nfs/dbraw/zinc/48/39/83/854483983.db2.gz UOASOKUIFZYAGI-QBPKDAKJSA-N 2 2 357.495 0.194 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451349 854483989 /nfs/dbraw/zinc/48/39/89/854483989.db2.gz UOASOKUIFZYAGI-QBPKDAKJSA-N 2 2 357.495 0.194 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001212451349 854483992 /nfs/dbraw/zinc/48/39/92/854483992.db2.gz UOASOKUIFZYAGI-QBPKDAKJSA-N 2 2 357.495 0.194 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212451349 854483998 /nfs/dbraw/zinc/48/39/98/854483998.db2.gz UOASOKUIFZYAGI-QBPKDAKJSA-N 2 2 357.495 0.194 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212476856 854494040 /nfs/dbraw/zinc/49/40/40/854494040.db2.gz GMGAHQKYUJIVTI-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212476856 854494049 /nfs/dbraw/zinc/49/40/49/854494049.db2.gz GMGAHQKYUJIVTI-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212486845 854498173 /nfs/dbraw/zinc/49/81/73/854498173.db2.gz GOPHARSBBZOKTK-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212486845 854498177 /nfs/dbraw/zinc/49/81/77/854498177.db2.gz GOPHARSBBZOKTK-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212486973 854498659 /nfs/dbraw/zinc/49/86/59/854498659.db2.gz MDNOVMVPGFZWSW-ZIAGYGMSSA-N 2 2 356.511 0.447 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212486973 854498666 /nfs/dbraw/zinc/49/86/66/854498666.db2.gz MDNOVMVPGFZWSW-ZIAGYGMSSA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212486973 854498672 /nfs/dbraw/zinc/49/86/72/854498672.db2.gz MDNOVMVPGFZWSW-ZIAGYGMSSA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212486973 854498676 /nfs/dbraw/zinc/49/86/76/854498676.db2.gz MDNOVMVPGFZWSW-ZIAGYGMSSA-N 2 2 356.511 0.447 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486869 854498919 /nfs/dbraw/zinc/49/89/19/854498919.db2.gz HFNRSFDSPZIFNX-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486869 854498920 /nfs/dbraw/zinc/49/89/20/854498920.db2.gz HFNRSFDSPZIFNX-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487134 854499795 /nfs/dbraw/zinc/49/97/95/854499795.db2.gz SSZRHDJMVFXFCC-HUUCEWRRSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487134 854499796 /nfs/dbraw/zinc/49/97/96/854499796.db2.gz SSZRHDJMVFXFCC-HUUCEWRRSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212487134 854499798 /nfs/dbraw/zinc/49/97/98/854499798.db2.gz SSZRHDJMVFXFCC-HUUCEWRRSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212487134 854499799 /nfs/dbraw/zinc/49/97/99/854499799.db2.gz SSZRHDJMVFXFCC-HUUCEWRRSA-N 2 2 356.511 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329029 854576245 /nfs/dbraw/zinc/57/62/45/854576245.db2.gz NOCRAMHXZMYGMH-BRWVUGGUSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329029 854576250 /nfs/dbraw/zinc/57/62/50/854576250.db2.gz NOCRAMHXZMYGMH-BRWVUGGUSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329029 854576256 /nfs/dbraw/zinc/57/62/56/854576256.db2.gz NOCRAMHXZMYGMH-BRWVUGGUSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[NH+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001213329029 854576261 /nfs/dbraw/zinc/57/62/61/854576261.db2.gz NOCRAMHXZMYGMH-BRWVUGGUSA-N 2 2 357.495 0.336 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346457 854583543 /nfs/dbraw/zinc/58/35/43/854583543.db2.gz NNZNBNCUUCPGHP-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346457 854583548 /nfs/dbraw/zinc/58/35/48/854583548.db2.gz NNZNBNCUUCPGHP-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380033 854595044 /nfs/dbraw/zinc/59/50/44/854595044.db2.gz JFUAMGDACHTHDV-BFYDXBDKSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380033 854595047 /nfs/dbraw/zinc/59/50/47/854595047.db2.gz JFUAMGDACHTHDV-BFYDXBDKSA-N 2 2 354.495 0.009 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC)C(C)C ZINC001213592825 854678678 /nfs/dbraw/zinc/67/86/78/854678678.db2.gz GANNHGMUQABDFI-INMHGKMJSA-N 2 2 356.511 0.256 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC)C(C)C ZINC001213592825 854678681 /nfs/dbraw/zinc/67/86/81/854678681.db2.gz GANNHGMUQABDFI-INMHGKMJSA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213719234 854733586 /nfs/dbraw/zinc/73/35/86/854733586.db2.gz SRXUOPGTQRVBAG-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213719234 854733589 /nfs/dbraw/zinc/73/35/89/854733589.db2.gz SRXUOPGTQRVBAG-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001213719234 854733592 /nfs/dbraw/zinc/73/35/92/854733592.db2.gz SRXUOPGTQRVBAG-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001213719234 854733595 /nfs/dbraw/zinc/73/35/95/854733595.db2.gz SRXUOPGTQRVBAG-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765072 854758573 /nfs/dbraw/zinc/75/85/73/854758573.db2.gz SLECKKDSTWTYAA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765072 854758574 /nfs/dbraw/zinc/75/85/74/854758574.db2.gz SLECKKDSTWTYAA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765072 854758580 /nfs/dbraw/zinc/75/85/80/854758580.db2.gz SLECKKDSTWTYAA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001213765072 854758586 /nfs/dbraw/zinc/75/85/86/854758586.db2.gz SLECKKDSTWTYAA-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801984 854773791 /nfs/dbraw/zinc/77/37/91/854773791.db2.gz JFYHFSIWLZTVRC-BRWVUGGUSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801984 854773797 /nfs/dbraw/zinc/77/37/97/854773797.db2.gz JFYHFSIWLZTVRC-BRWVUGGUSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802544 854775074 /nfs/dbraw/zinc/77/50/74/854775074.db2.gz WQGGELWFRLTRRK-GVDBMIGSSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802544 854775077 /nfs/dbraw/zinc/77/50/77/854775077.db2.gz WQGGELWFRLTRRK-GVDBMIGSSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929561 854830217 /nfs/dbraw/zinc/83/02/17/854830217.db2.gz BFJJUNDBTACNCJ-BZUAXINKSA-N 2 2 354.495 0.151 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929561 854830223 /nfs/dbraw/zinc/83/02/23/854830223.db2.gz BFJJUNDBTACNCJ-BZUAXINKSA-N 2 2 354.495 0.151 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929561 854830225 /nfs/dbraw/zinc/83/02/25/854830225.db2.gz BFJJUNDBTACNCJ-BZUAXINKSA-N 2 2 354.495 0.151 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929561 854830230 /nfs/dbraw/zinc/83/02/30/854830230.db2.gz BFJJUNDBTACNCJ-BZUAXINKSA-N 2 2 354.495 0.151 20 0 FCADLP CO[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979785 854852966 /nfs/dbraw/zinc/85/29/66/854852966.db2.gz JGFOKJXOGXPSIL-CHWSQXEVSA-N 2 2 364.368 0.668 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979785 854852973 /nfs/dbraw/zinc/85/29/73/854852973.db2.gz JGFOKJXOGXPSIL-CHWSQXEVSA-N 2 2 364.368 0.668 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977773 854853030 /nfs/dbraw/zinc/85/30/30/854853030.db2.gz YSNCMHPBLUZTPO-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977773 854853033 /nfs/dbraw/zinc/85/30/33/854853033.db2.gz YSNCMHPBLUZTPO-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812140 855016647 /nfs/dbraw/zinc/01/66/47/855016647.db2.gz UQZALCWFDFNIDH-UKRRQHHQSA-N 2 2 371.507 0.108 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812140 855016657 /nfs/dbraw/zinc/01/66/57/855016657.db2.gz UQZALCWFDFNIDH-UKRRQHHQSA-N 2 2 371.507 0.108 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001214949834 855038333 /nfs/dbraw/zinc/03/83/33/855038333.db2.gz CAESFAWGTDAXET-UKRRQHHQSA-N 2 2 369.487 0.504 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006167 855050774 /nfs/dbraw/zinc/05/07/74/855050774.db2.gz UMDPJRHKGGCLAO-OWCLPIDISA-N 2 2 350.463 0.545 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215132881 855070909 /nfs/dbraw/zinc/07/09/09/855070909.db2.gz QQOIWPFZHLFZDX-CHWSQXEVSA-N 2 2 350.444 0.429 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001215563788 855128957 /nfs/dbraw/zinc/12/89/57/855128957.db2.gz OZMOKONTNAZUHQ-CHWSQXEVSA-N 2 2 352.483 0.023 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001215563788 855128961 /nfs/dbraw/zinc/12/89/61/855128961.db2.gz OZMOKONTNAZUHQ-CHWSQXEVSA-N 2 2 352.483 0.023 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215586145 855130984 /nfs/dbraw/zinc/13/09/84/855130984.db2.gz VFGYDZPMLIQQHD-KBUPBQIOSA-N 2 2 368.503 0.395 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H](O)COCC(F)(F)F ZINC001215681418 855135531 /nfs/dbraw/zinc/13/55/31/855135531.db2.gz YHKJXXHMAJSXIA-KGYLQXTDSA-N 2 2 364.368 0.329 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCOC[C@@H]1CCCCO1 ZINC001215685156 855136580 /nfs/dbraw/zinc/13/65/80/855136580.db2.gz NNGYMRLTUTZOMK-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)n1cc[nH+]c1 ZINC001215704923 855137466 /nfs/dbraw/zinc/13/74/66/855137466.db2.gz CYBPMXGFQXBOGN-RBSFLKMASA-N 2 2 371.507 0.162 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1)n1cc[nH+]c1 ZINC001215705867 855137788 /nfs/dbraw/zinc/13/77/88/855137788.db2.gz UKVGJPICHIQNRR-QLFBSQMISA-N 2 2 356.492 0.705 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162928 855403758 /nfs/dbraw/zinc/40/37/58/855403758.db2.gz WOFBRZIWBWEICM-YYIAUSFCSA-N 2 2 355.479 0.042 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162928 855403759 /nfs/dbraw/zinc/40/37/59/855403759.db2.gz WOFBRZIWBWEICM-YYIAUSFCSA-N 2 2 355.479 0.042 20 0 FCADLP CC(C)OCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162928 855403762 /nfs/dbraw/zinc/40/37/62/855403762.db2.gz WOFBRZIWBWEICM-YYIAUSFCSA-N 2 2 355.479 0.042 20 0 FCADLP CC(C)OCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218162928 855403763 /nfs/dbraw/zinc/40/37/63/855403763.db2.gz WOFBRZIWBWEICM-YYIAUSFCSA-N 2 2 355.479 0.042 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nccc(Cl)c2I)C1 ZINC001218529647 855435239 /nfs/dbraw/zinc/43/52/39/855435239.db2.gz MBHAUFRPHLJEEW-VDTYLAMSSA-N 2 2 366.590 0.967 20 0 FCADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218573319 855442990 /nfs/dbraw/zinc/44/29/90/855442990.db2.gz VFIYRRRCCOSGHU-IUODEOHRSA-N 2 2 350.467 0.698 20 0 FCADLP COC(=O)c1nc(Br)sc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218783729 855479293 /nfs/dbraw/zinc/47/92/93/855479293.db2.gz DWOHVBXXWMWTQZ-UHFFFAOYSA-N 2 2 363.237 0.712 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218819923 855482038 /nfs/dbraw/zinc/48/20/38/855482038.db2.gz RWCXFISEWUATHC-ZNMIVQPWSA-N 2 2 361.433 0.664 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001218819923 855482041 /nfs/dbraw/zinc/48/20/41/855482041.db2.gz RWCXFISEWUATHC-ZNMIVQPWSA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2)C[C@H](C)O1 ZINC001218822959 855483347 /nfs/dbraw/zinc/48/33/47/855483347.db2.gz RDBRQNLIAYANMV-ZOWXZIJZSA-N 2 2 370.475 0.099 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218904663 855493607 /nfs/dbraw/zinc/49/36/07/855493607.db2.gz KBJRIWBOLYVXKD-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218904663 855493614 /nfs/dbraw/zinc/49/36/14/855493614.db2.gz KBJRIWBOLYVXKD-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218904663 855493618 /nfs/dbraw/zinc/49/36/18/855493618.db2.gz KBJRIWBOLYVXKD-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218904663 855493622 /nfs/dbraw/zinc/49/36/22/855493622.db2.gz KBJRIWBOLYVXKD-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218904661 855494156 /nfs/dbraw/zinc/49/41/56/855494156.db2.gz KBJRIWBOLYVXKD-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218904661 855494158 /nfs/dbraw/zinc/49/41/58/855494158.db2.gz KBJRIWBOLYVXKD-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218904661 855494160 /nfs/dbraw/zinc/49/41/60/855494160.db2.gz KBJRIWBOLYVXKD-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218904661 855494163 /nfs/dbraw/zinc/49/41/63/855494163.db2.gz KBJRIWBOLYVXKD-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP Nc1ccc(S(=O)(=O)N(C(=O)C[NH2+]CCC[NH3+])c2nccs2)cc1 ZINC001218950632 855501612 /nfs/dbraw/zinc/50/16/12/855501612.db2.gz BMNKDWZIBHDNCT-UHFFFAOYSA-N 2 2 369.472 0.386 20 0 FCADLP NS(=O)(=O)c1cc(Cl)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(Cl)c1 ZINC001218962531 855503277 /nfs/dbraw/zinc/50/32/77/855503277.db2.gz OJODXJJCKBWMQZ-ANLVUFKYSA-N 2 2 353.231 0.269 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032189 855519366 /nfs/dbraw/zinc/51/93/66/855519366.db2.gz UHMOEOHJYMSFAB-MELADBBJSA-N 2 2 365.396 0.429 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032189 855519372 /nfs/dbraw/zinc/51/93/72/855519372.db2.gz UHMOEOHJYMSFAB-MELADBBJSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032189 855519377 /nfs/dbraw/zinc/51/93/77/855519377.db2.gz UHMOEOHJYMSFAB-MELADBBJSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032189 855519378 /nfs/dbraw/zinc/51/93/78/855519378.db2.gz UHMOEOHJYMSFAB-MELADBBJSA-N 2 2 365.396 0.429 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067477 855535808 /nfs/dbraw/zinc/53/58/08/855535808.db2.gz UFGHFBJPWSQUFX-IXDOHACOSA-N 2 2 350.463 0.736 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067477 855535815 /nfs/dbraw/zinc/53/58/15/855535815.db2.gz UFGHFBJPWSQUFX-IXDOHACOSA-N 2 2 350.463 0.736 20 0 FCADLP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001219567572 855717571 /nfs/dbraw/zinc/71/75/71/855717571.db2.gz PBKAAPFIGNCJKK-KRWDZBQOSA-N 3 2 350.463 0.080 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1O ZINC001219665694 855761263 /nfs/dbraw/zinc/76/12/63/855761263.db2.gz TYJMKNHCGSYCGF-XHSDSOJGSA-N 2 2 352.479 0.983 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001219665694 855761269 /nfs/dbraw/zinc/76/12/69/855761269.db2.gz TYJMKNHCGSYCGF-XHSDSOJGSA-N 2 2 352.479 0.983 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219731590 855790617 /nfs/dbraw/zinc/79/06/17/855790617.db2.gz CEKWHAXZSCSZCB-XHSDSOJGSA-N 2 2 355.458 0.070 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001219731590 855790623 /nfs/dbraw/zinc/79/06/23/855790623.db2.gz CEKWHAXZSCSZCB-XHSDSOJGSA-N 2 2 355.458 0.070 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804436 855823723 /nfs/dbraw/zinc/82/37/23/855823723.db2.gz WGIGGCDWXUCQJE-OWCLPIDISA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804436 855823730 /nfs/dbraw/zinc/82/37/30/855823730.db2.gz WGIGGCDWXUCQJE-OWCLPIDISA-N 2 2 352.504 0.761 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219846765 855843084 /nfs/dbraw/zinc/84/30/84/855843084.db2.gz CDQFDAADVQFMNQ-KEYYUXOJSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219846765 855843087 /nfs/dbraw/zinc/84/30/87/855843087.db2.gz CDQFDAADVQFMNQ-KEYYUXOJSA-N 2 2 352.479 0.793 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001219864177 855852264 /nfs/dbraw/zinc/85/22/64/855852264.db2.gz JINRQUYPDUHODG-CVEARBPZSA-N 2 2 352.479 0.905 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001219864177 855852268 /nfs/dbraw/zinc/85/22/68/855852268.db2.gz JINRQUYPDUHODG-CVEARBPZSA-N 2 2 352.479 0.905 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897141 855869017 /nfs/dbraw/zinc/86/90/17/855869017.db2.gz ZACAAPNLSHLFBJ-KFWWJZLASA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219897141 855869023 /nfs/dbraw/zinc/86/90/23/855869023.db2.gz ZACAAPNLSHLFBJ-KFWWJZLASA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219897141 855869029 /nfs/dbraw/zinc/86/90/29/855869029.db2.gz ZACAAPNLSHLFBJ-KFWWJZLASA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219897141 855869034 /nfs/dbraw/zinc/86/90/34/855869034.db2.gz ZACAAPNLSHLFBJ-KFWWJZLASA-N 2 2 356.511 0.135 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C2)o1 ZINC001219902990 855871501 /nfs/dbraw/zinc/87/15/01/855871501.db2.gz OZULUBQAYGFAEK-KGLIPLIRSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C2)o1 ZINC001219902990 855871513 /nfs/dbraw/zinc/87/15/13/855871513.db2.gz OZULUBQAYGFAEK-KGLIPLIRSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C2)o1 ZINC001219902990 855871521 /nfs/dbraw/zinc/87/15/21/855871521.db2.gz OZULUBQAYGFAEK-KGLIPLIRSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C2)o1 ZINC001219902990 855871531 /nfs/dbraw/zinc/87/15/31/855871531.db2.gz OZULUBQAYGFAEK-KGLIPLIRSA-N 2 2 352.479 0.937 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219928166 855881734 /nfs/dbraw/zinc/88/17/34/855881734.db2.gz SVKJTZXCVCUYCK-KFWWJZLASA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219928166 855881736 /nfs/dbraw/zinc/88/17/36/855881736.db2.gz SVKJTZXCVCUYCK-KFWWJZLASA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219928166 855881738 /nfs/dbraw/zinc/88/17/38/855881738.db2.gz SVKJTZXCVCUYCK-KFWWJZLASA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219928166 855881740 /nfs/dbraw/zinc/88/17/40/855881740.db2.gz SVKJTZXCVCUYCK-KFWWJZLASA-N 2 2 363.449 0.550 20 0 FCADLP COc1ccc(O[C@@H](C)CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001219947877 855891701 /nfs/dbraw/zinc/89/17/01/855891701.db2.gz GKHZVHFGYZPJLC-SUMWQHHRSA-N 2 2 350.463 0.329 20 0 FCADLP Cc1nn(CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C)c1Br ZINC001219997092 855911180 /nfs/dbraw/zinc/91/11/80/855911180.db2.gz LNRJCQNCRKJMNN-LLVKDONJSA-N 2 2 355.240 0.672 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220222301 856020161 /nfs/dbraw/zinc/02/01/61/856020161.db2.gz JYASVJNZUDRVHO-OLZOCXBDSA-N 2 2 361.389 0.398 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220222301 856020165 /nfs/dbraw/zinc/02/01/65/856020165.db2.gz JYASVJNZUDRVHO-OLZOCXBDSA-N 2 2 361.389 0.398 20 0 FCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220258056 856033694 /nfs/dbraw/zinc/03/36/94/856033694.db2.gz BMYZFOGSHOQKRT-LBPRGKRZSA-N 2 2 371.507 0.326 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388024 856101644 /nfs/dbraw/zinc/10/16/44/856101644.db2.gz YCDKVWVVJMGILG-IMJJTQAJSA-N 2 2 368.503 0.305 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388024 856101656 /nfs/dbraw/zinc/10/16/56/856101656.db2.gz YCDKVWVVJMGILG-IMJJTQAJSA-N 2 2 368.503 0.305 20 0 FCADLP CS(=O)(=O)c1cccc([C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c2ccccc2)c1 ZINC001220700693 856247638 /nfs/dbraw/zinc/24/76/38/856247638.db2.gz MTLSBBIGGJITJT-IRXDYDNUSA-N 2 2 361.467 0.972 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001220768761 856291049 /nfs/dbraw/zinc/29/10/49/856291049.db2.gz ARSPPNQAPSDWMY-HZSPNIEDSA-N 2 2 352.435 0.166 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220831230 856329585 /nfs/dbraw/zinc/32/95/85/856329585.db2.gz TXVHLKPZSZQQNL-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220831230 856329593 /nfs/dbraw/zinc/32/95/93/856329593.db2.gz TXVHLKPZSZQQNL-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220831230 856329603 /nfs/dbraw/zinc/32/96/03/856329603.db2.gz TXVHLKPZSZQQNL-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220831230 856329613 /nfs/dbraw/zinc/32/96/13/856329613.db2.gz TXVHLKPZSZQQNL-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCC1 ZINC001220888175 856359171 /nfs/dbraw/zinc/35/91/71/856359171.db2.gz DGBMKDOUVLGEBS-IKGGRYGDSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCC1 ZINC001220888175 856359172 /nfs/dbraw/zinc/35/91/72/856359172.db2.gz DGBMKDOUVLGEBS-IKGGRYGDSA-N 2 2 350.463 0.329 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccn(CC(F)(F)F)c(=O)c1 ZINC001220987555 856408526 /nfs/dbraw/zinc/40/85/26/856408526.db2.gz AXOCPZMHLXVDPQ-LBPRGKRZSA-N 2 2 361.368 0.100 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)sn1 ZINC001221081648 856453641 /nfs/dbraw/zinc/45/36/41/856453641.db2.gz REHLKBKRPXZNQO-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)sn1 ZINC001221081648 856453645 /nfs/dbraw/zinc/45/36/45/856453645.db2.gz REHLKBKRPXZNQO-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001221093817 856460040 /nfs/dbraw/zinc/46/00/40/856460040.db2.gz YMUJDEYOXKAWQD-CABCVRRESA-N 2 2 363.487 0.693 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001221093817 856460049 /nfs/dbraw/zinc/46/00/49/856460049.db2.gz YMUJDEYOXKAWQD-CABCVRRESA-N 2 2 363.487 0.693 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001221093817 856460057 /nfs/dbraw/zinc/46/00/57/856460057.db2.gz YMUJDEYOXKAWQD-CABCVRRESA-N 2 2 363.487 0.693 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001221093817 856460064 /nfs/dbraw/zinc/46/00/64/856460064.db2.gz YMUJDEYOXKAWQD-CABCVRRESA-N 2 2 363.487 0.693 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001221091517 856460374 /nfs/dbraw/zinc/46/03/74/856460374.db2.gz PUPFPHLFIZOWJF-CVEARBPZSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001221091517 856460381 /nfs/dbraw/zinc/46/03/81/856460381.db2.gz PUPFPHLFIZOWJF-CVEARBPZSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001221091517 856460388 /nfs/dbraw/zinc/46/03/88/856460388.db2.gz PUPFPHLFIZOWJF-CVEARBPZSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001221091517 856460398 /nfs/dbraw/zinc/46/03/98/856460398.db2.gz PUPFPHLFIZOWJF-CVEARBPZSA-N 2 2 351.495 0.640 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001221161271 856491705 /nfs/dbraw/zinc/49/17/05/856491705.db2.gz DWHBYDCHJAJYMW-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001221161271 856491710 /nfs/dbraw/zinc/49/17/10/856491710.db2.gz DWHBYDCHJAJYMW-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP [NH3+]CCCP(CCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001221272173 856534830 /nfs/dbraw/zinc/53/48/30/856534830.db2.gz XXUHBZSPLJGMEB-LOJAJKFTSA-N 3 2 362.458 0.600 20 0 FCADLP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)C1([NH3+])CC1 ZINC001221382932 856556751 /nfs/dbraw/zinc/55/67/51/856556751.db2.gz JTZDZWLTCCDQKS-UHFFFAOYSA-N 2 2 370.475 0.962 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587740 856614685 /nfs/dbraw/zinc/61/46/85/856614685.db2.gz GTIVFKDWLXEULS-BZUAXINKSA-N 2 2 356.486 0.677 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587740 856614692 /nfs/dbraw/zinc/61/46/92/856614692.db2.gz GTIVFKDWLXEULS-BZUAXINKSA-N 2 2 356.486 0.677 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221615915 856625909 /nfs/dbraw/zinc/62/59/09/856625909.db2.gz APOZGFISQPSBOJ-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221615915 856625918 /nfs/dbraw/zinc/62/59/18/856625918.db2.gz APOZGFISQPSBOJ-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21)[NH+](C)C ZINC001221631216 856629101 /nfs/dbraw/zinc/62/91/01/856629101.db2.gz GSFIIKFLTWXSHB-NUJGCVRESA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21)[NH+](C)C ZINC001221631216 856629103 /nfs/dbraw/zinc/62/91/03/856629103.db2.gz GSFIIKFLTWXSHB-NUJGCVRESA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631594 856630329 /nfs/dbraw/zinc/63/03/29/856630329.db2.gz YPTPZGKBHNOAFV-NUJGCVRESA-N 2 2 352.523 0.878 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631594 856630334 /nfs/dbraw/zinc/63/03/34/856630334.db2.gz YPTPZGKBHNOAFV-NUJGCVRESA-N 2 2 352.523 0.878 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835470 856702813 /nfs/dbraw/zinc/70/28/13/856702813.db2.gz MLYVFJDFCZCXOQ-DJIMGWMZSA-N 2 2 350.463 0.518 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835470 856702819 /nfs/dbraw/zinc/70/28/19/856702819.db2.gz MLYVFJDFCZCXOQ-DJIMGWMZSA-N 2 2 350.463 0.518 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221883592 856721367 /nfs/dbraw/zinc/72/13/67/856721367.db2.gz MCRBAVCOPIGXCQ-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221883592 856721369 /nfs/dbraw/zinc/72/13/69/856721369.db2.gz MCRBAVCOPIGXCQ-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001221921759 856734784 /nfs/dbraw/zinc/73/47/84/856734784.db2.gz ICNLKQFFNDSKBH-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001221921759 856734788 /nfs/dbraw/zinc/73/47/88/856734788.db2.gz ICNLKQFFNDSKBH-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001221921759 856734790 /nfs/dbraw/zinc/73/47/90/856734790.db2.gz ICNLKQFFNDSKBH-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001221921759 856734794 /nfs/dbraw/zinc/73/47/94/856734794.db2.gz ICNLKQFFNDSKBH-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945035 856743655 /nfs/dbraw/zinc/74/36/55/856743655.db2.gz FQNOILINUSJFSH-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945035 856743656 /nfs/dbraw/zinc/74/36/56/856743656.db2.gz FQNOILINUSJFSH-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945035 856743658 /nfs/dbraw/zinc/74/36/58/856743658.db2.gz FQNOILINUSJFSH-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945035 856743660 /nfs/dbraw/zinc/74/36/60/856743660.db2.gz FQNOILINUSJFSH-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221960856 856750416 /nfs/dbraw/zinc/75/04/16/856750416.db2.gz KQCWKIRVKIPPGV-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221960856 856750425 /nfs/dbraw/zinc/75/04/25/856750425.db2.gz KQCWKIRVKIPPGV-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050236 856783468 /nfs/dbraw/zinc/78/34/68/856783468.db2.gz XRYJWQOUFCAQOE-NUJGCVRESA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050236 856783471 /nfs/dbraw/zinc/78/34/71/856783471.db2.gz XRYJWQOUFCAQOE-NUJGCVRESA-N 2 2 350.507 0.776 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489333 856845125 /nfs/dbraw/zinc/84/51/25/856845125.db2.gz QBHFDKIAOYYEDW-ILXRZTDVSA-N 2 2 361.433 0.522 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489333 856845128 /nfs/dbraw/zinc/84/51/28/856845128.db2.gz QBHFDKIAOYYEDW-ILXRZTDVSA-N 2 2 361.433 0.522 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489333 856845134 /nfs/dbraw/zinc/84/51/34/856845134.db2.gz QBHFDKIAOYYEDW-ILXRZTDVSA-N 2 2 361.433 0.522 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489333 856845135 /nfs/dbraw/zinc/84/51/35/856845135.db2.gz QBHFDKIAOYYEDW-ILXRZTDVSA-N 2 2 361.433 0.522 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4[C@H](O)CC[C@@H]4C3)CC2)CC1 ZINC001225651705 857052497 /nfs/dbraw/zinc/05/24/97/857052497.db2.gz KGKYMHACUCMZCX-FHLIZLRMSA-N 2 2 350.507 0.957 20 0 FCADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226885181 857130223 /nfs/dbraw/zinc/13/02/23/857130223.db2.gz JSAOEMYJANJNKI-AAVRWANBSA-N 2 2 369.491 0.079 20 0 FCADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885181 857130226 /nfs/dbraw/zinc/13/02/26/857130226.db2.gz JSAOEMYJANJNKI-AAVRWANBSA-N 2 2 369.491 0.079 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227175140 857147879 /nfs/dbraw/zinc/14/78/79/857147879.db2.gz HBECCLLWOUSWFG-RBSFLKMASA-N 2 2 368.503 0.507 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001228619085 857219965 /nfs/dbraw/zinc/21/99/65/857219965.db2.gz TYDGSPGCOILBEL-HUUCEWRRSA-N 2 2 359.536 0.780 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001228619085 857219971 /nfs/dbraw/zinc/21/99/71/857219971.db2.gz TYDGSPGCOILBEL-HUUCEWRRSA-N 2 2 359.536 0.780 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001279457102 862892597 /nfs/dbraw/zinc/89/25/97/862892597.db2.gz REIVRTYXMYURFB-CVEARBPZSA-N 2 2 365.459 0.254 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001279457102 862892613 /nfs/dbraw/zinc/89/26/13/862892613.db2.gz REIVRTYXMYURFB-CVEARBPZSA-N 2 2 365.459 0.254 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229940106 857292675 /nfs/dbraw/zinc/29/26/75/857292675.db2.gz VVEJPJHDRJHCKQ-ZIAGYGMSSA-N 2 2 371.507 0.217 20 0 FCADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001231706472 857363754 /nfs/dbraw/zinc/36/37/54/857363754.db2.gz LLNVOLZAQAHNRP-GFCCVEGCSA-N 2 2 350.419 0.737 20 0 FCADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001231706472 857363755 /nfs/dbraw/zinc/36/37/55/857363755.db2.gz LLNVOLZAQAHNRP-GFCCVEGCSA-N 2 2 350.419 0.737 20 0 FCADLP CN(C)C(=O)N[C@@H]1COCCC12CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235555600 857427181 /nfs/dbraw/zinc/42/71/81/857427181.db2.gz UUYWEZYJVQAUID-LSDHHAIUSA-N 2 2 354.495 0.853 20 0 FCADLP Cc1coc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001237638449 857456683 /nfs/dbraw/zinc/45/66/83/857456683.db2.gz IPVCUSVKSWEEBI-UHFFFAOYSA-N 2 2 350.463 0.986 20 0 FCADLP Cc1coc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001237638449 857456687 /nfs/dbraw/zinc/45/66/87/857456687.db2.gz IPVCUSVKSWEEBI-UHFFFAOYSA-N 2 2 350.463 0.986 20 0 FCADLP CCOC(=O)[C@@]1(NS(=O)(=O)CC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001238658107 857477025 /nfs/dbraw/zinc/47/70/25/857477025.db2.gz DKOATRQRXLRMSE-MRXNPFEDSA-N 2 2 355.460 0.072 20 0 FCADLP CCOC(=O)[C@@]1(NS(=O)(=O)CC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001238658107 857477031 /nfs/dbraw/zinc/47/70/31/857477031.db2.gz DKOATRQRXLRMSE-MRXNPFEDSA-N 2 2 355.460 0.072 20 0 FCADLP COc1ccc(Br)cc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238837319 857482591 /nfs/dbraw/zinc/48/25/91/857482591.db2.gz CFMXSMUFYOSUQM-UHFFFAOYSA-N 2 2 352.254 0.284 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC001239077746 857507152 /nfs/dbraw/zinc/50/71/52/857507152.db2.gz MYVUZFFBCWARMO-CQSZACIVSA-N 2 2 360.430 0.908 20 0 FCADLP COc1ccc(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)c(OC)c1 ZINC001239286103 857525814 /nfs/dbraw/zinc/52/58/14/857525814.db2.gz DMQYNUDDHWYEPJ-UHFFFAOYSA-N 2 2 351.451 0.320 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245986096 857562776 /nfs/dbraw/zinc/56/27/76/857562776.db2.gz UXPCCBUPNAUNDY-HRCADAONSA-N 3 2 359.417 0.456 20 0 FCADLP O=C([C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246138527 857568735 /nfs/dbraw/zinc/56/87/35/857568735.db2.gz JJVSPFAMVDNIPN-XHSDSOJGSA-N 3 2 368.547 0.388 20 0 FCADLP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246274644 857573055 /nfs/dbraw/zinc/57/30/55/857573055.db2.gz YSFIXYLMJFUUJN-YXWQFLTLSA-N 2 2 369.535 0.170 20 0 FCADLP O=S(=O)(c1ccccc1)N1CCN(CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246275106 857573128 /nfs/dbraw/zinc/57/31/28/857573128.db2.gz DXTXCIASRUISGZ-INIZCTEOSA-N 2 2 352.504 0.335 20 0 FCADLP CC(C)C(=O)N1CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001246758990 857598053 /nfs/dbraw/zinc/59/80/53/857598053.db2.gz ISOWYHHXSWPPRW-GJYPPUQNSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)C(=O)N1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001246758990 857598061 /nfs/dbraw/zinc/59/80/61/857598061.db2.gz ISOWYHHXSWPPRW-GJYPPUQNSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751430 857598382 /nfs/dbraw/zinc/59/83/82/857598382.db2.gz PIGFBOIPNIBTBK-SJORKVTESA-N 3 2 352.523 0.630 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751430 857598395 /nfs/dbraw/zinc/59/83/95/857598395.db2.gz PIGFBOIPNIBTBK-SJORKVTESA-N 3 2 352.523 0.630 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=S)NCC[NH+](C)C ZINC001249836963 857652311 /nfs/dbraw/zinc/65/23/11/857652311.db2.gz NFGVCFMMCSKHCJ-INIZCTEOSA-N 2 2 364.515 0.782 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=S)NCC[NH+](C)C ZINC001249836963 857652317 /nfs/dbraw/zinc/65/23/17/857652317.db2.gz NFGVCFMMCSKHCJ-INIZCTEOSA-N 2 2 364.515 0.782 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250812469 857664267 /nfs/dbraw/zinc/66/42/67/857664267.db2.gz MHUVDQNWXVLGDP-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250812469 857664269 /nfs/dbraw/zinc/66/42/69/857664269.db2.gz MHUVDQNWXVLGDP-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C[C@@H](O)C(F)(F)F)CC3)CC1 ZINC001250969997 857673425 /nfs/dbraw/zinc/67/34/25/857673425.db2.gz HKINJGXNIXGKKN-CQSZACIVSA-N 2 2 359.396 0.552 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](C[C@@H](O)C(F)(F)F)CC3)CC1 ZINC001250969997 857673431 /nfs/dbraw/zinc/67/34/31/857673431.db2.gz HKINJGXNIXGKKN-CQSZACIVSA-N 2 2 359.396 0.552 20 0 FCADLP C[NH+]1CCN(c2c(F)cccc2NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251032580 857687115 /nfs/dbraw/zinc/68/71/15/857687115.db2.gz XJRGJNGWQQZGKK-OAHLLOKOSA-N 2 2 352.454 0.683 20 0 FCADLP CN(C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001251823102 857754345 /nfs/dbraw/zinc/75/43/45/857754345.db2.gz ATHFVVYRUURCMM-LZWOXQAQSA-N 2 2 351.495 0.450 20 0 FCADLP CN(C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001251823102 857754348 /nfs/dbraw/zinc/75/43/48/857754348.db2.gz ATHFVVYRUURCMM-LZWOXQAQSA-N 2 2 351.495 0.450 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC001251862335 857762794 /nfs/dbraw/zinc/76/27/94/857762794.db2.gz LWIMVLXXHHALDO-UHFFFAOYSA-N 2 2 364.431 0.430 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001253182438 857869481 /nfs/dbraw/zinc/86/94/81/857869481.db2.gz PPJARDTYIICVFM-BSDSXHPESA-N 2 2 353.507 0.791 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001253182438 857869482 /nfs/dbraw/zinc/86/94/82/857869482.db2.gz PPJARDTYIICVFM-BSDSXHPESA-N 2 2 353.507 0.791 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001253211875 857872657 /nfs/dbraw/zinc/87/26/57/857872657.db2.gz BPANBSZZKBBOFO-MRXNPFEDSA-N 2 2 370.519 0.109 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)COC(C)(C)C)CCC2 ZINC001253452377 857888264 /nfs/dbraw/zinc/88/82/64/857888264.db2.gz KMGHDOUZLBHQIL-OAHLLOKOSA-N 2 2 352.479 0.687 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)COC(C)(C)C)CCC2 ZINC001253452377 857888274 /nfs/dbraw/zinc/88/82/74/857888274.db2.gz KMGHDOUZLBHQIL-OAHLLOKOSA-N 2 2 352.479 0.687 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001253762000 857910871 /nfs/dbraw/zinc/91/08/71/857910871.db2.gz ZEBCQJRMWQHQDU-DLBZAZTESA-N 2 2 351.495 0.844 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001253762000 857910877 /nfs/dbraw/zinc/91/08/77/857910877.db2.gz ZEBCQJRMWQHQDU-DLBZAZTESA-N 2 2 351.495 0.844 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253795570 857913445 /nfs/dbraw/zinc/91/34/45/857913445.db2.gz QOAFZVIFAPFOFT-IKGGRYGDSA-N 2 2 350.463 0.488 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253795570 857913451 /nfs/dbraw/zinc/91/34/51/857913451.db2.gz QOAFZVIFAPFOFT-IKGGRYGDSA-N 2 2 350.463 0.488 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253795570 857913460 /nfs/dbraw/zinc/91/34/60/857913460.db2.gz QOAFZVIFAPFOFT-IKGGRYGDSA-N 2 2 350.463 0.488 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253795570 857913469 /nfs/dbraw/zinc/91/34/69/857913469.db2.gz QOAFZVIFAPFOFT-IKGGRYGDSA-N 2 2 350.463 0.488 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001254046567 857935862 /nfs/dbraw/zinc/93/58/62/857935862.db2.gz ULEUSCCMXVYBLS-OAHLLOKOSA-N 2 2 351.451 0.409 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001254046567 857935866 /nfs/dbraw/zinc/93/58/66/857935866.db2.gz ULEUSCCMXVYBLS-OAHLLOKOSA-N 2 2 351.451 0.409 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]3C2)c1 ZINC001279590957 862970088 /nfs/dbraw/zinc/97/00/88/862970088.db2.gz IOGFQZBXKXPRSR-LSDHHAIUSA-N 2 2 369.535 0.703 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]3C2)c1 ZINC001279590957 862970097 /nfs/dbraw/zinc/97/00/97/862970097.db2.gz IOGFQZBXKXPRSR-LSDHHAIUSA-N 2 2 369.535 0.703 20 0 FCADLP C[C@H](CS(=O)(=O)c1ccccc1)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001255805234 858033202 /nfs/dbraw/zinc/03/32/02/858033202.db2.gz UXCHPIBHCHCFIN-CQSZACIVSA-N 2 2 364.471 0.926 20 0 FCADLP CC[NH+](CC)CC[C@@H](C)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001255948165 858041820 /nfs/dbraw/zinc/04/18/20/858041820.db2.gz GKINJSXTDPCQTD-HIFRSBDPSA-N 2 2 353.467 0.637 20 0 FCADLP COCCN1CC2(CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](COC)C1=O ZINC001256207706 858057044 /nfs/dbraw/zinc/05/70/44/858057044.db2.gz PANWIUDKCDIGCW-KRWDZBQOSA-N 2 2 353.507 0.914 20 0 FCADLP CCOC(=O)N1CCC([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001256243332 858059566 /nfs/dbraw/zinc/05/95/66/858059566.db2.gz OJNWLRLAEYCSKZ-UHFFFAOYSA-N 2 2 354.495 0.557 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001257235233 858129757 /nfs/dbraw/zinc/12/97/57/858129757.db2.gz VNCQSVHTZLFHGH-HOTGVXAUSA-N 2 2 364.515 0.869 20 0 FCADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257722420 858157286 /nfs/dbraw/zinc/15/72/86/858157286.db2.gz KLHRPECGDXNVDK-AAVRWANBSA-N 2 2 358.435 0.378 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC001262059715 858768734 /nfs/dbraw/zinc/76/87/34/858768734.db2.gz HQEMQFQRBZIWDE-TYNCELHUSA-N 2 2 352.866 0.912 20 0 FCADLP C[C@H]1CCOCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001262539583 858991235 /nfs/dbraw/zinc/99/12/35/858991235.db2.gz JDKJSGLVCPHYSY-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H]1CCOCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001262539583 858991238 /nfs/dbraw/zinc/99/12/38/858991238.db2.gz JDKJSGLVCPHYSY-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC001262591131 859012550 /nfs/dbraw/zinc/01/25/50/859012550.db2.gz GVXBRXZHUCERCD-CQSZACIVSA-N 2 2 352.508 0.394 20 0 FCADLP C[NH+](C)CCn1nccc1NC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001263644875 859185167 /nfs/dbraw/zinc/18/51/67/859185167.db2.gz YCBZFAQTPVXZBZ-UHFFFAOYSA-N 2 2 352.439 0.015 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001263896244 859229279 /nfs/dbraw/zinc/22/92/79/859229279.db2.gz SVGVSWYLOQEJNA-CABCVRRESA-N 2 2 365.503 0.401 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001263896244 859229287 /nfs/dbraw/zinc/22/92/87/859229287.db2.gz SVGVSWYLOQEJNA-CABCVRRESA-N 2 2 365.503 0.401 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(Cc3csnn3)CC2)CC[N@@H+]1C ZINC001266285661 859476754 /nfs/dbraw/zinc/47/67/54/859476754.db2.gz IMZYNEQLDHTPBQ-UKRRQHHQSA-N 2 2 352.508 0.112 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(Cc3csnn3)CC2)CC[N@H+]1C ZINC001266285661 859476761 /nfs/dbraw/zinc/47/67/61/859476761.db2.gz IMZYNEQLDHTPBQ-UKRRQHHQSA-N 2 2 352.508 0.112 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(=O)NCC(F)F)c1 ZINC001270062040 859638898 /nfs/dbraw/zinc/63/88/98/859638898.db2.gz VFDKCZAEEIAGHV-VXGBXAGGSA-N 2 2 357.405 0.295 20 0 FCADLP CCCC[C@@H](CC)C[N@@H+]1CCC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001270176119 859677728 /nfs/dbraw/zinc/67/77/28/859677728.db2.gz SKLQWIXJCBJYIS-QGZVFWFLSA-N 2 2 355.523 0.776 20 0 FCADLP CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)C[NH+](CCO)CCO)C2 ZINC001270176119 859677732 /nfs/dbraw/zinc/67/77/32/859677732.db2.gz SKLQWIXJCBJYIS-QGZVFWFLSA-N 2 2 355.523 0.776 20 0 FCADLP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)C1 ZINC001272459463 860160283 /nfs/dbraw/zinc/16/02/83/860160283.db2.gz JAOVTFYCKDXZHL-CQSZACIVSA-N 2 2 361.471 0.916 20 0 FCADLP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)C1 ZINC001272459463 860160290 /nfs/dbraw/zinc/16/02/90/860160290.db2.gz JAOVTFYCKDXZHL-CQSZACIVSA-N 2 2 361.471 0.916 20 0 FCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001280053683 863223621 /nfs/dbraw/zinc/22/36/21/863223621.db2.gz OHZRNOFTOVQBAV-MRXNPFEDSA-N 2 2 350.463 0.859 20 0 FCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001280053683 863223630 /nfs/dbraw/zinc/22/36/30/863223630.db2.gz OHZRNOFTOVQBAV-MRXNPFEDSA-N 2 2 350.463 0.859 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC(=O)N1CC[NH+](C)CC1 ZINC001280075507 863248609 /nfs/dbraw/zinc/24/86/09/863248609.db2.gz YJPNZHFFLXNZKH-HOTGVXAUSA-N 2 2 363.531 0.874 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC(=O)N1CC[NH+](C)CC1 ZINC001280075507 863248613 /nfs/dbraw/zinc/24/86/13/863248613.db2.gz YJPNZHFFLXNZKH-HOTGVXAUSA-N 2 2 363.531 0.874 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CCC3(C[NH+](CC4(C)COC4)C3)O2)CC1 ZINC001280180522 863311271 /nfs/dbraw/zinc/31/12/71/863311271.db2.gz KYLMMMVXJSPNSS-MRXNPFEDSA-N 2 2 351.491 0.809 20 0 FCADLP CC[NH+]1CCC(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NCCS(C)(=O)=O)CC1 ZINC001280257669 863365078 /nfs/dbraw/zinc/36/50/78/863365078.db2.gz WGDIEOPLGCRADV-DOTOQJQBSA-N 2 2 357.520 0.344 20 0 FCADLP CC[NH+]1CCC(C[N@H+]2CC[C@H]3C[C@]32C(=O)NCCS(C)(=O)=O)CC1 ZINC001280257669 863365085 /nfs/dbraw/zinc/36/50/85/863365085.db2.gz WGDIEOPLGCRADV-DOTOQJQBSA-N 2 2 357.520 0.344 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262370 863369145 /nfs/dbraw/zinc/36/91/45/863369145.db2.gz ZIPQXBBRZROALX-CVEARBPZSA-N 2 2 371.547 0.591 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262370 863369158 /nfs/dbraw/zinc/36/91/58/863369158.db2.gz ZIPQXBBRZROALX-CVEARBPZSA-N 2 2 371.547 0.591 20 0 FCADLP Cn1cncc1C[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280291447 863379654 /nfs/dbraw/zinc/37/96/54/863379654.db2.gz PQLGGWCZVHDSOW-MRXNPFEDSA-N 2 2 363.531 0.938 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840633 866679574 /nfs/dbraw/zinc/67/95/74/866679574.db2.gz WGGVYDAOGQRMKU-HRCADAONSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840633 866679581 /nfs/dbraw/zinc/67/95/81/866679581.db2.gz WGGVYDAOGQRMKU-HRCADAONSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840633 866679586 /nfs/dbraw/zinc/67/95/86/866679586.db2.gz WGGVYDAOGQRMKU-HRCADAONSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840633 866679591 /nfs/dbraw/zinc/67/95/91/866679591.db2.gz WGGVYDAOGQRMKU-HRCADAONSA-N 2 2 357.495 0.867 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001351129564 866787477 /nfs/dbraw/zinc/78/74/77/866787477.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001351129564 866787486 /nfs/dbraw/zinc/78/74/86/866787486.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351129564 866787497 /nfs/dbraw/zinc/78/74/97/866787497.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001351129564 866787502 /nfs/dbraw/zinc/78/75/02/866787502.db2.gz KYMQADDWNWLVFX-ZACQAIPSSA-N 2 2 355.527 0.421 20 0 FCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001353327828 867397739 /nfs/dbraw/zinc/39/77/39/867397739.db2.gz KFIPZPYGJFARAZ-KDOFPFPSSA-N 2 2 351.447 0.213 20 0 FCADLP COC(=O)CC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001354215676 867564667 /nfs/dbraw/zinc/56/46/67/867564667.db2.gz ATABKHPVGQQGNF-ZIAGYGMSSA-N 2 2 352.435 0.029 20 0 FCADLP COC(=O)CC[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001354215676 867564676 /nfs/dbraw/zinc/56/46/76/867564676.db2.gz ATABKHPVGQQGNF-ZIAGYGMSSA-N 2 2 352.435 0.029 20 0 FCADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001318439968 867667348 /nfs/dbraw/zinc/66/73/48/867667348.db2.gz QHXJVQLRZDAHTE-CVEARBPZSA-N 2 2 374.551 0.667 20 0 FCADLP COCCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001355707996 867845280 /nfs/dbraw/zinc/84/52/80/867845280.db2.gz FERCCJIEYMNFAV-HUUCEWRRSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001355707996 867845297 /nfs/dbraw/zinc/84/52/97/867845297.db2.gz FERCCJIEYMNFAV-HUUCEWRRSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001355707996 867845310 /nfs/dbraw/zinc/84/53/10/867845310.db2.gz FERCCJIEYMNFAV-HUUCEWRRSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001355707996 867845324 /nfs/dbraw/zinc/84/53/24/867845324.db2.gz FERCCJIEYMNFAV-HUUCEWRRSA-N 2 2 350.467 0.212 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(C(N)=O)cc1Cl ZINC001319410139 867911096 /nfs/dbraw/zinc/91/10/96/867911096.db2.gz MIDTZDZBVJNTEE-UHFFFAOYSA-N 2 2 367.881 0.932 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(C(N)=O)cc1Cl ZINC001319410139 867911105 /nfs/dbraw/zinc/91/11/05/867911105.db2.gz MIDTZDZBVJNTEE-UHFFFAOYSA-N 2 2 367.881 0.932 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)CN1CC[NH+]1CCOCC1 ZINC001356610971 868032892 /nfs/dbraw/zinc/03/28/92/868032892.db2.gz XTZVCOXTKPDFAK-SJORKVTESA-N 2 2 351.422 0.382 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001357669106 868144716 /nfs/dbraw/zinc/14/47/16/868144716.db2.gz VTSJUCADDZNYRS-OAHLLOKOSA-N 2 2 360.524 0.327 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)n1cc[nH+]c1 ZINC001320379791 868151696 /nfs/dbraw/zinc/15/16/96/868151696.db2.gz ZQQLPHZREJCGDQ-CYBMUJFWSA-N 2 2 365.459 0.923 20 0 FCADLP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001357938001 868165214 /nfs/dbraw/zinc/16/52/14/868165214.db2.gz HNYQJVCYCNJVNU-ZWNOBZJWSA-N 2 2 358.236 0.562 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CC3(C)C)CC2)CC1 ZINC001325998081 870132546 /nfs/dbraw/zinc/13/25/46/870132546.db2.gz FQWVZNOELWKAKE-AWEZNQCLSA-N 2 2 350.507 0.824 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326551798 870378895 /nfs/dbraw/zinc/37/88/95/870378895.db2.gz LHOLFKZJIBVWFY-HOCLYGCPSA-N 2 2 354.470 0.574 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326551798 870378914 /nfs/dbraw/zinc/37/89/14/870378914.db2.gz LHOLFKZJIBVWFY-HOCLYGCPSA-N 2 2 354.470 0.574 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001326583120 870394221 /nfs/dbraw/zinc/39/42/21/870394221.db2.gz FQTZVOMWCZZXGC-OAHLLOKOSA-N 2 2 357.520 0.488 20 0 FCADLP CCN(C(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001326583120 870394235 /nfs/dbraw/zinc/39/42/35/870394235.db2.gz FQTZVOMWCZZXGC-OAHLLOKOSA-N 2 2 357.520 0.488 20 0 FCADLP [NH3+]C[C@@H](O)CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001343543425 870480418 /nfs/dbraw/zinc/48/04/18/870480418.db2.gz PGTQPRFECFDKLW-HNNXBMFYSA-N 2 2 365.865 0.732 20 0 FCADLP [NH3+]C[C@@H](O)CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001343543425 870480426 /nfs/dbraw/zinc/48/04/26/870480426.db2.gz PGTQPRFECFDKLW-HNNXBMFYSA-N 2 2 365.865 0.732 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC001327206223 870716616 /nfs/dbraw/zinc/71/66/16/870716616.db2.gz MEOZUQLCZYMJTR-CJNGLKHVSA-N 2 2 371.507 0.453 20 0 FCADLP CCN(CCSC)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001328272750 871328719 /nfs/dbraw/zinc/32/87/19/871328719.db2.gz PZOBLGXUIYQLKE-UHFFFAOYSA-N 2 2 370.563 0.873 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@]4(CCOC4=O)C3)C2)CC1 ZINC001346061716 871626398 /nfs/dbraw/zinc/62/63/98/871626398.db2.gz VJIILRNFASWGTL-KDOFPFPSSA-N 2 2 350.463 0.504 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@]4(CCOC4=O)C3)C2)CC1 ZINC001346061716 871626406 /nfs/dbraw/zinc/62/64/06/871626406.db2.gz VJIILRNFASWGTL-KDOFPFPSSA-N 2 2 350.463 0.504 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346290925 871753959 /nfs/dbraw/zinc/75/39/59/871753959.db2.gz DMMIQDNZHLGGMV-BZUAXINKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346290925 871753966 /nfs/dbraw/zinc/75/39/66/871753966.db2.gz DMMIQDNZHLGGMV-BZUAXINKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001329221415 871897992 /nfs/dbraw/zinc/89/79/92/871897992.db2.gz FBDCYNTVCKVVLL-WXHSDQCUSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001329221415 871898011 /nfs/dbraw/zinc/89/80/11/871898011.db2.gz FBDCYNTVCKVVLL-WXHSDQCUSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606087 871928896 /nfs/dbraw/zinc/92/88/96/871928896.db2.gz JVJZUVIIEIDBCV-TWMKSMIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606087 871928910 /nfs/dbraw/zinc/92/89/10/871928910.db2.gz JVJZUVIIEIDBCV-TWMKSMIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346606087 871928921 /nfs/dbraw/zinc/92/89/21/871928921.db2.gz JVJZUVIIEIDBCV-TWMKSMIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346606087 871928933 /nfs/dbraw/zinc/92/89/33/871928933.db2.gz JVJZUVIIEIDBCV-TWMKSMIVSA-N 2 2 355.527 0.371 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001348664103 872756647 /nfs/dbraw/zinc/75/66/47/872756647.db2.gz LSONFUUICSWWDB-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158334 873396257 /nfs/dbraw/zinc/39/62/57/873396257.db2.gz XTFDJOGOFZNRDX-HLLBOEOZSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158334 873396269 /nfs/dbraw/zinc/39/62/69/873396269.db2.gz XTFDJOGOFZNRDX-HLLBOEOZSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2)CC1 ZINC001332590020 873570533 /nfs/dbraw/zinc/57/05/33/873570533.db2.gz YGDUQWHLQJUPMZ-CQSZACIVSA-N 2 2 360.524 0.120 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2)CC1 ZINC001332590020 873570540 /nfs/dbraw/zinc/57/05/40/873570540.db2.gz YGDUQWHLQJUPMZ-CQSZACIVSA-N 2 2 360.524 0.120 20 0 FCADLP C[S@](=O)C1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]CC1 ZINC001332974994 873741870 /nfs/dbraw/zinc/74/18/70/873741870.db2.gz GSWUGKQEBNIROE-DEOSSOPVSA-N 2 2 357.520 0.058 20 0 FCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574917199 948809762 /nfs/dbraw/zinc/80/97/62/948809762.db2.gz UBCYUNPNUOGIOD-LBPRGKRZSA-N 2 2 369.433 0.214 20 0 FCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920389 948898552 /nfs/dbraw/zinc/89/85/52/948898552.db2.gz JVWNTKQYXNBRBA-NSHDSACASA-N 2 2 374.474 0.889 20 0 FCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920388 948899010 /nfs/dbraw/zinc/89/90/10/948899010.db2.gz JVWNTKQYXNBRBA-LLVKDONJSA-N 2 2 374.474 0.889 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574944565 949398320 /nfs/dbraw/zinc/39/83/20/949398320.db2.gz FMIVNKAVXILBQR-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574944565 949398330 /nfs/dbraw/zinc/39/83/30/949398330.db2.gz FMIVNKAVXILBQR-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574492070 950062809 /nfs/dbraw/zinc/06/28/09/950062809.db2.gz IUABREOMWYOIRA-CHWSQXEVSA-N 2 2 367.417 0.804 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574732905 950078048 /nfs/dbraw/zinc/07/80/48/950078048.db2.gz MGTSZEWCFUYZIP-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981790 950612318 /nfs/dbraw/zinc/61/23/18/950612318.db2.gz UZSNAWKEXKSZLG-WFASDCNBSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981790 950612337 /nfs/dbraw/zinc/61/23/37/950612337.db2.gz UZSNAWKEXKSZLG-WFASDCNBSA-N 2 2 356.434 0.441 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576213675 950640184 /nfs/dbraw/zinc/64/01/84/950640184.db2.gz GDIUWAVDWPRDMT-HDJSIYSDSA-N 2 2 370.461 0.475 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026160 951472254 /nfs/dbraw/zinc/47/22/54/951472254.db2.gz UCUNUBAGERLMGN-OKILXGFUSA-N 2 2 366.429 0.878 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571037618 951631692 /nfs/dbraw/zinc/63/16/92/951631692.db2.gz NGENFWHMQGSWIU-NHYWBVRUSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571039177 951652346 /nfs/dbraw/zinc/65/23/46/951652346.db2.gz YRDDICYHAYHAPT-ZDUSSCGKSA-N 2 2 367.417 0.470 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575107181 951916131 /nfs/dbraw/zinc/91/61/31/951916131.db2.gz ARBLCORHKUPGOJ-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114544 951956330 /nfs/dbraw/zinc/95/63/30/951956330.db2.gz QBNOTLNRRCYUKI-AWEZNQCLSA-N 2 2 368.445 0.995 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105356 952393864 /nfs/dbraw/zinc/39/38/64/952393864.db2.gz OCUBMWYKSJHOPX-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105356 952393870 /nfs/dbraw/zinc/39/38/70/952393870.db2.gz OCUBMWYKSJHOPX-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105356 952393877 /nfs/dbraw/zinc/39/38/77/952393877.db2.gz OCUBMWYKSJHOPX-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571105356 952393885 /nfs/dbraw/zinc/39/38/85/952393885.db2.gz OCUBMWYKSJHOPX-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571109673 952420603 /nfs/dbraw/zinc/42/06/03/952420603.db2.gz WFGJIAMRJRFBOY-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571109673 952420609 /nfs/dbraw/zinc/42/06/09/952420609.db2.gz WFGJIAMRJRFBOY-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292507565 214105290 /nfs/dbraw/zinc/10/52/90/214105290.db2.gz PNZFTQHPPJPWIU-SJORKVTESA-N 2 2 371.485 0.721 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410626198 529404640 /nfs/dbraw/zinc/40/46/40/529404640.db2.gz YREQMNUSTRTZLN-BRWVUGGUSA-N 2 2 364.490 0.005 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410626198 529404644 /nfs/dbraw/zinc/40/46/44/529404644.db2.gz YREQMNUSTRTZLN-BRWVUGGUSA-N 2 2 364.490 0.005 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000297362939 214393846 /nfs/dbraw/zinc/39/38/46/214393846.db2.gz IPUYVICCRAUWIN-OKILXGFUSA-N 2 2 358.446 0.844 20 0 FCADLP COCC[C@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000291245227 214022243 /nfs/dbraw/zinc/02/22/43/214022243.db2.gz NLNAHFJDRJWFGO-KRWDZBQOSA-N 2 2 362.474 0.858 20 0 FCADLP COCC[C@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000291245227 214022244 /nfs/dbraw/zinc/02/22/44/214022244.db2.gz NLNAHFJDRJWFGO-KRWDZBQOSA-N 2 2 362.474 0.858 20 0 FCADLP COc1ccc(F)cc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000291071376 214012218 /nfs/dbraw/zinc/01/22/18/214012218.db2.gz RYQGZZLTRXTOAI-MRXNPFEDSA-N 2 2 351.422 0.857 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000331470864 215000786 /nfs/dbraw/zinc/00/07/86/215000786.db2.gz OSJSNQWYCRDOSF-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000331470864 215000788 /nfs/dbraw/zinc/00/07/88/215000788.db2.gz OSJSNQWYCRDOSF-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C(=O)N2CC[NH+](C)C[C@@H]2C)n1 ZINC000331470864 215000792 /nfs/dbraw/zinc/00/07/92/215000792.db2.gz OSJSNQWYCRDOSF-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(C(=O)N2CC[NH+](C)C[C@@H]2C)n1 ZINC000331470864 215000794 /nfs/dbraw/zinc/00/07/94/215000794.db2.gz OSJSNQWYCRDOSF-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000331563170 215015957 /nfs/dbraw/zinc/01/59/57/215015957.db2.gz GPLKHTKEJUCIQX-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000331563170 215015960 /nfs/dbraw/zinc/01/59/60/215015960.db2.gz GPLKHTKEJUCIQX-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)c1nc(CNC(=O)[C@H]2CCC[NH+]2C)cs1 ZINC000265007422 210037612 /nfs/dbraw/zinc/03/76/12/210037612.db2.gz YWNWYDHIEPYDRH-ZIAGYGMSSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)c1nc(CNC(=O)[C@H]2CCC[NH+]2C)cs1 ZINC000265007422 210037616 /nfs/dbraw/zinc/03/76/16/210037616.db2.gz YWNWYDHIEPYDRH-ZIAGYGMSSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC000265007422 210037620 /nfs/dbraw/zinc/03/76/20/210037620.db2.gz YWNWYDHIEPYDRH-ZIAGYGMSSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC000265007422 210037626 /nfs/dbraw/zinc/03/76/26/210037626.db2.gz YWNWYDHIEPYDRH-ZIAGYGMSSA-N 2 2 365.503 0.911 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000332065404 215086723 /nfs/dbraw/zinc/08/67/23/215086723.db2.gz RNZQKLSDJQQKAO-KBPBESRZSA-N 2 2 374.489 0.387 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)CO1 ZINC000332097412 215092386 /nfs/dbraw/zinc/09/23/86/215092386.db2.gz XPLMUSCZZGNRCT-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938374 210020199 /nfs/dbraw/zinc/02/01/99/210020199.db2.gz PXYPDQREQSWUFM-HKUYNNGSSA-N 2 2 360.502 0.546 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938374 210020204 /nfs/dbraw/zinc/02/02/04/210020204.db2.gz PXYPDQREQSWUFM-HKUYNNGSSA-N 2 2 360.502 0.546 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000264922979 210016127 /nfs/dbraw/zinc/01/61/27/210016127.db2.gz WIAVKUHSEDYYJR-MRXNPFEDSA-N 2 2 357.462 0.805 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC000332512112 215164550 /nfs/dbraw/zinc/16/45/50/215164550.db2.gz DXRPPVLGCBRDAW-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC000332512112 215164552 /nfs/dbraw/zinc/16/45/52/215164552.db2.gz DXRPPVLGCBRDAW-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@H]1C ZINC000332524857 215167199 /nfs/dbraw/zinc/16/71/99/215167199.db2.gz DSYIYXZQOPAWPE-SJORKVTESA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@H]1C ZINC000332524857 215167201 /nfs/dbraw/zinc/16/72/01/215167201.db2.gz DSYIYXZQOPAWPE-SJORKVTESA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000332525002 215167684 /nfs/dbraw/zinc/16/76/84/215167684.db2.gz RKLZENNOYDAEOP-GDBMZVCRSA-N 2 2 359.474 0.482 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000332556092 215178746 /nfs/dbraw/zinc/17/87/46/215178746.db2.gz RZHGLTQZLPELJG-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000332556092 215178747 /nfs/dbraw/zinc/17/87/47/215178747.db2.gz RZHGLTQZLPELJG-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000332560002 215179382 /nfs/dbraw/zinc/17/93/82/215179382.db2.gz UOZDEZZHJFPQLJ-OAHLLOKOSA-N 2 2 374.489 0.377 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332611220 215189125 /nfs/dbraw/zinc/18/91/25/215189125.db2.gz BWCYMGYPXCDZQY-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000333007090 215222684 /nfs/dbraw/zinc/22/26/84/215222684.db2.gz AHQAIBFPHZHQQJ-SJORKVTESA-N 2 2 369.554 0.499 20 0 FCADLP CN(C(=O)[C@@H]1CCCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000333104718 215237020 /nfs/dbraw/zinc/23/70/20/215237020.db2.gz DIHSOXJOPVDGGX-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCO1 ZINC000333140162 215240765 /nfs/dbraw/zinc/24/07/65/215240765.db2.gz KDOKOFFWXKTZBT-KFWWJZLASA-N 2 2 353.467 0.491 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCO1 ZINC000333140162 215240767 /nfs/dbraw/zinc/24/07/67/215240767.db2.gz KDOKOFFWXKTZBT-KFWWJZLASA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000333140162 215240771 /nfs/dbraw/zinc/24/07/71/215240771.db2.gz KDOKOFFWXKTZBT-KFWWJZLASA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000333140162 215240773 /nfs/dbraw/zinc/24/07/73/215240773.db2.gz KDOKOFFWXKTZBT-KFWWJZLASA-N 2 2 353.467 0.491 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC000333164858 215245628 /nfs/dbraw/zinc/24/56/28/215245628.db2.gz HCGYLTLBJJVLEH-RBSFLKMASA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]cn1 ZINC000333164858 215245631 /nfs/dbraw/zinc/24/56/31/215245631.db2.gz HCGYLTLBJJVLEH-RBSFLKMASA-N 2 2 359.478 0.738 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333496791 215289940 /nfs/dbraw/zinc/28/99/40/215289940.db2.gz CCHMHKRLJKTNKO-IXDOHACOSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333496791 215289944 /nfs/dbraw/zinc/28/99/44/215289944.db2.gz CCHMHKRLJKTNKO-IXDOHACOSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333590770 215299969 /nfs/dbraw/zinc/29/99/69/215299969.db2.gz VDGFHPQVBRMKDN-BRWVUGGUSA-N 2 2 365.522 0.570 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCO1 ZINC000333797392 215319521 /nfs/dbraw/zinc/31/95/21/215319521.db2.gz NMSMLIAVPOJOLD-CVEARBPZSA-N 2 2 354.495 0.635 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCO1 ZINC000333797392 215319525 /nfs/dbraw/zinc/31/95/25/215319525.db2.gz NMSMLIAVPOJOLD-CVEARBPZSA-N 2 2 354.495 0.635 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333834678 215322988 /nfs/dbraw/zinc/32/29/88/215322988.db2.gz LYPWWTMMKDGSPF-KRWDZBQOSA-N 2 2 366.506 0.748 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333834678 215322990 /nfs/dbraw/zinc/32/29/90/215322990.db2.gz LYPWWTMMKDGSPF-KRWDZBQOSA-N 2 2 366.506 0.748 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000333871202 215327899 /nfs/dbraw/zinc/32/78/99/215327899.db2.gz PHAJTKCPKCGOHE-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003731 215335747 /nfs/dbraw/zinc/33/57/47/215335747.db2.gz HPNLMJHEJOKGEZ-HZPDHXFCSA-N 2 2 353.511 0.570 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003731 215335750 /nfs/dbraw/zinc/33/57/50/215335750.db2.gz HPNLMJHEJOKGEZ-HZPDHXFCSA-N 2 2 353.511 0.570 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285768669 213393564 /nfs/dbraw/zinc/39/35/64/213393564.db2.gz DIBWFBRJOWYRAS-DOTOQJQBSA-N 2 2 359.474 0.462 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285768669 213393567 /nfs/dbraw/zinc/39/35/67/213393567.db2.gz DIBWFBRJOWYRAS-DOTOQJQBSA-N 2 2 359.474 0.462 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285768691 213394038 /nfs/dbraw/zinc/39/40/38/213394038.db2.gz DIBWFBRJOWYRAS-RDJZCZTQSA-N 2 2 359.474 0.462 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285768691 213394041 /nfs/dbraw/zinc/39/40/41/213394041.db2.gz DIBWFBRJOWYRAS-RDJZCZTQSA-N 2 2 359.474 0.462 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346027 215359019 /nfs/dbraw/zinc/35/90/19/215359019.db2.gz RTCDMYSJQNGYOO-GXTWGEPZSA-N 2 2 356.829 0.762 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346027 215359021 /nfs/dbraw/zinc/35/90/21/215359021.db2.gz RTCDMYSJQNGYOO-GXTWGEPZSA-N 2 2 356.829 0.762 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCO[C@H]3CCOC3)C2)CC1 ZINC000360913837 215373800 /nfs/dbraw/zinc/37/38/00/215373800.db2.gz RDCYZNRYKJHOJO-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCO[C@H]3CCOC3)C2)CC1 ZINC000360913837 215373803 /nfs/dbraw/zinc/37/38/03/215373803.db2.gz RDCYZNRYKJHOJO-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000285573543 213361297 /nfs/dbraw/zinc/36/12/97/213361297.db2.gz JZNVGMHLLTZNNI-INIZCTEOSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000285573543 213361299 /nfs/dbraw/zinc/36/12/99/213361299.db2.gz JZNVGMHLLTZNNI-INIZCTEOSA-N 2 2 371.485 0.899 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)[nH+]c2c1 ZINC000285516922 213352456 /nfs/dbraw/zinc/35/24/56/213352456.db2.gz OIUCTZBAMVJISD-GDBMZVCRSA-N 2 2 355.442 0.812 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)[nH+]c2c1 ZINC000285516922 213352458 /nfs/dbraw/zinc/35/24/58/213352458.db2.gz OIUCTZBAMVJISD-GDBMZVCRSA-N 2 2 355.442 0.812 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000285528618 213353667 /nfs/dbraw/zinc/35/36/67/213353667.db2.gz HDLCBTGHBNSGMZ-UHFFFAOYSA-N 2 2 371.485 0.852 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443029 213342297 /nfs/dbraw/zinc/34/22/97/213342297.db2.gz ZCLOGPUHKBPREQ-HZPDHXFCSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443029 213342298 /nfs/dbraw/zinc/34/22/98/213342298.db2.gz ZCLOGPUHKBPREQ-HZPDHXFCSA-N 2 2 359.474 0.943 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285118166 213287132 /nfs/dbraw/zinc/28/71/32/213287132.db2.gz KZXRCOLLIOBOKX-OAHLLOKOSA-N 2 2 357.458 0.331 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285118166 213287137 /nfs/dbraw/zinc/28/71/37/213287137.db2.gz KZXRCOLLIOBOKX-OAHLLOKOSA-N 2 2 357.458 0.331 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285118164 213286837 /nfs/dbraw/zinc/28/68/37/213286837.db2.gz KZXRCOLLIOBOKX-HNNXBMFYSA-N 2 2 357.458 0.331 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285118164 213286840 /nfs/dbraw/zinc/28/68/40/213286840.db2.gz KZXRCOLLIOBOKX-HNNXBMFYSA-N 2 2 357.458 0.331 20 0 FCADLP CC(C)[NH+](CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000363033797 215465282 /nfs/dbraw/zinc/46/52/82/215465282.db2.gz ZUTFANCMMQPGEP-KRWDZBQOSA-N 2 2 368.522 0.402 20 0 FCADLP C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000284933623 213251486 /nfs/dbraw/zinc/25/14/86/213251486.db2.gz UXDOLOFKSYKTAG-MSOLQXFVSA-N 2 2 373.501 0.525 20 0 FCADLP C[N@H+]1CC[C@@H]2OCCN(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000284933623 213251489 /nfs/dbraw/zinc/25/14/89/213251489.db2.gz UXDOLOFKSYKTAG-MSOLQXFVSA-N 2 2 373.501 0.525 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c[nH+]1 ZINC000284735818 213207996 /nfs/dbraw/zinc/20/79/96/213207996.db2.gz ZNCZOPVGOXWTGK-UHFFFAOYSA-N 2 2 373.457 0.947 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c[nH+]1 ZINC000284635884 213185845 /nfs/dbraw/zinc/18/58/45/213185845.db2.gz RQQSPPMKQUJXBG-JKSUJKDBSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c[nH+]1 ZINC000284635884 213185850 /nfs/dbraw/zinc/18/58/50/213185850.db2.gz RQQSPPMKQUJXBG-JKSUJKDBSA-N 2 2 359.474 0.707 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000284402170 213129978 /nfs/dbraw/zinc/12/99/78/213129978.db2.gz IRPIPFFXXYANHO-UHFFFAOYSA-N 2 2 371.485 0.995 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340146 213115642 /nfs/dbraw/zinc/11/56/42/213115642.db2.gz KFLDCMZAMANFMB-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340146 213115645 /nfs/dbraw/zinc/11/56/45/213115645.db2.gz KFLDCMZAMANFMB-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340146 213115646 /nfs/dbraw/zinc/11/56/46/213115646.db2.gz KFLDCMZAMANFMB-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000284340146 213115649 /nfs/dbraw/zinc/11/56/49/213115649.db2.gz KFLDCMZAMANFMB-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326873 213111726 /nfs/dbraw/zinc/11/17/26/213111726.db2.gz LDGXMKLFYIYZFE-GDBMZVCRSA-N 2 2 357.458 0.792 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326873 213111727 /nfs/dbraw/zinc/11/17/27/213111727.db2.gz LDGXMKLFYIYZFE-GDBMZVCRSA-N 2 2 357.458 0.792 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284187715 213093986 /nfs/dbraw/zinc/09/39/86/213093986.db2.gz ZPWKXOLWMXFLQM-OAHLLOKOSA-N 2 2 357.458 0.841 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284187715 213093989 /nfs/dbraw/zinc/09/39/89/213093989.db2.gz ZPWKXOLWMXFLQM-OAHLLOKOSA-N 2 2 357.458 0.841 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284160084 213086872 /nfs/dbraw/zinc/08/68/72/213086872.db2.gz UFCYYKSRQOFDQH-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000284101839 213073485 /nfs/dbraw/zinc/07/34/85/213073485.db2.gz WGKOZBWEOVNDNA-OAHLLOKOSA-N 2 2 369.469 0.603 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000284054407 213064567 /nfs/dbraw/zinc/06/45/67/213064567.db2.gz SAXRUBCQOREYIU-OAHLLOKOSA-N 2 2 371.441 0.131 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000283995213 213050794 /nfs/dbraw/zinc/05/07/94/213050794.db2.gz GQWHMSJKMPGBOI-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000283995213 213050797 /nfs/dbraw/zinc/05/07/97/213050797.db2.gz GQWHMSJKMPGBOI-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000283999834 213052413 /nfs/dbraw/zinc/05/24/13/213052413.db2.gz QBPDNZCDAYQMPJ-DOTOQJQBSA-N 2 2 355.442 0.903 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000283999834 213052415 /nfs/dbraw/zinc/05/24/15/213052415.db2.gz QBPDNZCDAYQMPJ-DOTOQJQBSA-N 2 2 355.442 0.903 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000283948676 213041917 /nfs/dbraw/zinc/04/19/17/213041917.db2.gz MTZRIWDDEYWTMH-QGZVFWFLSA-N 2 2 355.442 0.953 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000283948670 213041449 /nfs/dbraw/zinc/04/14/49/213041449.db2.gz MTZRIWDDEYWTMH-KRWDZBQOSA-N 2 2 355.442 0.953 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000283941525 213039779 /nfs/dbraw/zinc/03/97/79/213039779.db2.gz KSRINMWWEAKMJH-UKRRQHHQSA-N 2 2 355.442 0.734 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@H+]1C1CC1 ZINC000283941525 213039783 /nfs/dbraw/zinc/03/97/83/213039783.db2.gz KSRINMWWEAKMJH-UKRRQHHQSA-N 2 2 355.442 0.734 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000283926133 213036740 /nfs/dbraw/zinc/03/67/40/213036740.db2.gz JZHIJKAPPVHGGB-UHFFFAOYSA-N 2 2 357.458 0.984 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000283926133 213036742 /nfs/dbraw/zinc/03/67/42/213036742.db2.gz JZHIJKAPPVHGGB-UHFFFAOYSA-N 2 2 357.458 0.984 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000283870063 213022868 /nfs/dbraw/zinc/02/28/68/213022868.db2.gz JQFVDSBQZIPCKF-OAHLLOKOSA-N 2 2 359.430 0.936 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000283800156 213010118 /nfs/dbraw/zinc/01/01/18/213010118.db2.gz HTOYPSAAVFPOLU-OAHLLOKOSA-N 2 2 365.478 0.393 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCCC1 ZINC000283775398 213006357 /nfs/dbraw/zinc/00/63/57/213006357.db2.gz BTCAWBLHVQOXJN-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCCC1 ZINC000283775402 213005761 /nfs/dbraw/zinc/00/57/61/213005761.db2.gz BTCAWBLHVQOXJN-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000411922944 237104940 /nfs/dbraw/zinc/10/49/40/237104940.db2.gz MQDZUPQFMBAXMF-IRXDYDNUSA-N 2 2 369.506 0.219 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000411922944 237104944 /nfs/dbraw/zinc/10/49/44/237104944.db2.gz MQDZUPQFMBAXMF-IRXDYDNUSA-N 2 2 369.506 0.219 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945143 237117451 /nfs/dbraw/zinc/11/74/51/237117451.db2.gz PAONZTAWBAPPAB-HZPDHXFCSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945143 237117456 /nfs/dbraw/zinc/11/74/56/237117456.db2.gz PAONZTAWBAPPAB-HZPDHXFCSA-N 2 2 359.474 0.529 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411997948 237137442 /nfs/dbraw/zinc/13/74/42/237137442.db2.gz VMBMONCNZKNHRR-IAGOWNOFSA-N 2 2 367.515 0.769 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413567948 237359845 /nfs/dbraw/zinc/35/98/45/237359845.db2.gz BUFBMISKDXQMSM-QKPAOTATSA-N 2 2 359.536 0.825 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413567948 237359855 /nfs/dbraw/zinc/35/98/55/237359855.db2.gz BUFBMISKDXQMSM-QKPAOTATSA-N 2 2 359.536 0.825 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000366882611 216046066 /nfs/dbraw/zinc/04/60/66/216046066.db2.gz LLYHKFOMRWWXJF-RTBURBONSA-N 2 2 370.497 0.850 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000366882611 216046071 /nfs/dbraw/zinc/04/60/71/216046071.db2.gz LLYHKFOMRWWXJF-RTBURBONSA-N 2 2 370.497 0.850 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(=O)[nH]c1=O ZINC000366882732 216046282 /nfs/dbraw/zinc/04/62/82/216046282.db2.gz LZBGWJHWWWAPNN-UHFFFAOYSA-N 2 2 363.462 0.542 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(=O)[nH]c1=O ZINC000366882732 216046283 /nfs/dbraw/zinc/04/62/83/216046283.db2.gz LZBGWJHWWWAPNN-UHFFFAOYSA-N 2 2 363.462 0.542 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230908 216095043 /nfs/dbraw/zinc/09/50/43/216095043.db2.gz LFEPFYDXPKGENH-DOMZBBRYSA-N 2 2 365.396 0.966 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230908 216095048 /nfs/dbraw/zinc/09/50/48/216095048.db2.gz LFEPFYDXPKGENH-DOMZBBRYSA-N 2 2 365.396 0.966 20 0 FCADLP CCOC(=O)C1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000367612707 216142281 /nfs/dbraw/zinc/14/22/81/216142281.db2.gz QJHVDCBZQMCFBE-JCYILVPMSA-N 2 2 367.490 0.631 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000367731130 216155126 /nfs/dbraw/zinc/15/51/26/216155126.db2.gz VLDQBERUIDUSMR-NXHRZFHOSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000367731130 216155130 /nfs/dbraw/zinc/15/51/30/216155130.db2.gz VLDQBERUIDUSMR-NXHRZFHOSA-N 2 2 351.491 0.951 20 0 FCADLP CN(C(=O)CNc1ccccc1C(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368037642 216194715 /nfs/dbraw/zinc/19/47/15/216194715.db2.gz AIYLVABKAGAWTA-INIZCTEOSA-N 2 2 373.501 0.824 20 0 FCADLP CN(C(=O)CNc1ccccc1C(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368037642 216194719 /nfs/dbraw/zinc/19/47/19/216194719.db2.gz AIYLVABKAGAWTA-INIZCTEOSA-N 2 2 373.501 0.824 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246329876 209384620 /nfs/dbraw/zinc/38/46/20/209384620.db2.gz AYNQOXOGYFYEDM-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246329876 209384622 /nfs/dbraw/zinc/38/46/22/209384622.db2.gz AYNQOXOGYFYEDM-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685389 209396091 /nfs/dbraw/zinc/39/60/91/209396091.db2.gz JBPIMGCKUNSATR-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685389 209396098 /nfs/dbraw/zinc/39/60/98/209396098.db2.gz JBPIMGCKUNSATR-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685389 209396102 /nfs/dbraw/zinc/39/61/02/209396102.db2.gz JBPIMGCKUNSATR-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000246685389 209396105 /nfs/dbraw/zinc/39/61/05/209396105.db2.gz JBPIMGCKUNSATR-AOIWGVFYSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H]1CC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1n1cc[nH+]c1 ZINC000245579290 209369047 /nfs/dbraw/zinc/36/90/47/209369047.db2.gz BVUGRZWYCPTULF-VXGBXAGGSA-N 2 2 357.418 0.240 20 0 FCADLP C[C@@H]1CC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1n1cc[nH+]c1 ZINC000245579290 209369051 /nfs/dbraw/zinc/36/90/51/209369051.db2.gz BVUGRZWYCPTULF-VXGBXAGGSA-N 2 2 357.418 0.240 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000245439371 209366604 /nfs/dbraw/zinc/36/66/04/209366604.db2.gz SUFGYBSGCNAJDA-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000245439371 209366601 /nfs/dbraw/zinc/36/66/01/209366601.db2.gz SUFGYBSGCNAJDA-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246179007 209381858 /nfs/dbraw/zinc/38/18/58/209381858.db2.gz UKHRISGQVCWQTM-DLBZAZTESA-N 2 2 359.474 0.943 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246179007 209381861 /nfs/dbraw/zinc/38/18/61/209381861.db2.gz UKHRISGQVCWQTM-DLBZAZTESA-N 2 2 359.474 0.943 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246186009 209381527 /nfs/dbraw/zinc/38/15/27/209381527.db2.gz SIJTVFNECGWNPY-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246186009 209381529 /nfs/dbraw/zinc/38/15/29/209381529.db2.gz SIJTVFNECGWNPY-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246186009 209381534 /nfs/dbraw/zinc/38/15/34/209381534.db2.gz SIJTVFNECGWNPY-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246186009 209381537 /nfs/dbraw/zinc/38/15/37/209381537.db2.gz SIJTVFNECGWNPY-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246186002 209380995 /nfs/dbraw/zinc/38/09/95/209380995.db2.gz SIJTVFNECGWNPY-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246186002 209380997 /nfs/dbraw/zinc/38/09/97/209380997.db2.gz SIJTVFNECGWNPY-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246186002 209381000 /nfs/dbraw/zinc/38/10/00/209381000.db2.gz SIJTVFNECGWNPY-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246186002 209380992 /nfs/dbraw/zinc/38/09/92/209380992.db2.gz SIJTVFNECGWNPY-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000246186394 209380668 /nfs/dbraw/zinc/38/06/68/209380668.db2.gz VMHRSXWXCROZOR-HZPDHXFCSA-N 2 2 360.506 0.956 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000246186394 209380670 /nfs/dbraw/zinc/38/06/70/209380670.db2.gz VMHRSXWXCROZOR-HZPDHXFCSA-N 2 2 360.506 0.956 20 0 FCADLP C[C@@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246145037 209379465 /nfs/dbraw/zinc/37/94/65/209379465.db2.gz OFDWOZRDOMUSLL-QBPKDAKJSA-N 2 2 354.495 0.458 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000237735244 209356816 /nfs/dbraw/zinc/35/68/16/209356816.db2.gz QVZPGWJHBRXABI-INIZCTEOSA-N 2 2 365.441 0.582 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000237171581 209349530 /nfs/dbraw/zinc/34/95/30/209349530.db2.gz LXVKGZAMWPRFJV-CQSZACIVSA-N 2 2 350.438 0.555 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000368280137 216226994 /nfs/dbraw/zinc/22/69/94/216226994.db2.gz FZYOYWGZAWCLNX-KRWDZBQOSA-N 2 2 374.485 0.411 20 0 FCADLP CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237154257 209347964 /nfs/dbraw/zinc/34/79/64/209347964.db2.gz JECNITIFDTXTFA-PBHICJAKSA-N 2 2 357.458 0.642 20 0 FCADLP Cn1nccc1C1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000195502811 209338299 /nfs/dbraw/zinc/33/82/99/209338299.db2.gz LVRSHASUYFSFKQ-UHFFFAOYSA-N 2 2 363.506 0.827 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCCNC3=O)CC2)CC1 ZINC000195342240 209337494 /nfs/dbraw/zinc/33/74/94/209337494.db2.gz YBAVDWQXZULGMT-MRXNPFEDSA-N 2 2 351.495 0.513 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)([NH+]2CCOCC2)C1 ZINC000194990632 209331264 /nfs/dbraw/zinc/33/12/64/209331264.db2.gz YYTPTXUNDVFKNW-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000193444975 209312446 /nfs/dbraw/zinc/31/24/46/209312446.db2.gz SYBGVTGREJJTNS-CQSZACIVSA-N 2 2 374.493 0.925 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1)c1ccccc1 ZINC000368390165 216241247 /nfs/dbraw/zinc/24/12/47/216241247.db2.gz NVXAZGCUOPPARW-MRXNPFEDSA-N 2 2 368.503 0.158 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC(C(=O)OC)=NO3)CC2)CC1 ZINC000368477420 216251922 /nfs/dbraw/zinc/25/19/22/216251922.db2.gz HCCGALXCJLVXPI-CQSZACIVSA-N 2 2 366.462 0.323 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000192114058 209296273 /nfs/dbraw/zinc/29/62/73/209296273.db2.gz OYXDDLJYBKXUOR-LSDHHAIUSA-N 2 2 362.474 0.553 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368980456 216329049 /nfs/dbraw/zinc/32/90/49/216329049.db2.gz GSLOOAFAGMONSB-ROUUACIJSA-N 2 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CCS(=O)(=O)CC3)CC2)CC1 ZINC000369243306 216369238 /nfs/dbraw/zinc/36/92/38/216369238.db2.gz XGLUGHLQBCCUMF-UHFFFAOYSA-N 2 2 357.520 0.486 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3sccc3-n3cnnn3)C2)CC1 ZINC000369277147 216376380 /nfs/dbraw/zinc/37/63/80/216376380.db2.gz KOLAWVMLOCNHCG-GFCCVEGCSA-N 2 2 361.475 0.622 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3sccc3-n3cnnn3)C2)CC1 ZINC000369277147 216376384 /nfs/dbraw/zinc/37/63/84/216376384.db2.gz KOLAWVMLOCNHCG-GFCCVEGCSA-N 2 2 361.475 0.622 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(=O)N(CC4CC4)C3)CC2)CC1 ZINC000369310956 216382958 /nfs/dbraw/zinc/38/29/58/216382958.db2.gz CWWCWNUZQIPJJH-UHFFFAOYSA-N 2 2 363.506 0.766 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1CO ZINC000190357675 209270667 /nfs/dbraw/zinc/27/06/67/209270667.db2.gz HFSOOBKPKIKWHZ-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375463 216392154 /nfs/dbraw/zinc/39/21/54/216392154.db2.gz XNCNNKKMTDDCRR-WBVHZDCISA-N 2 2 356.511 0.488 20 0 FCADLP CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375463 216392157 /nfs/dbraw/zinc/39/21/57/216392157.db2.gz XNCNNKKMTDDCRR-WBVHZDCISA-N 2 2 356.511 0.488 20 0 FCADLP COC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369361976 216390045 /nfs/dbraw/zinc/39/00/45/216390045.db2.gz BSLADLRVSMXMFH-HNNXBMFYSA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369361976 216390047 /nfs/dbraw/zinc/39/00/47/216390047.db2.gz BSLADLRVSMXMFH-HNNXBMFYSA-N 2 2 352.479 0.750 20 0 FCADLP CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362794 216390106 /nfs/dbraw/zinc/39/01/06/216390106.db2.gz HVXXYQGAMBGZAF-IRXDYDNUSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362794 216390107 /nfs/dbraw/zinc/39/01/07/216390107.db2.gz HVXXYQGAMBGZAF-IRXDYDNUSA-N 2 2 365.522 0.713 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000369391765 216394900 /nfs/dbraw/zinc/39/49/00/216394900.db2.gz BTZWJPNBNZQHDN-AWEZNQCLSA-N 2 2 369.510 0.979 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000369391765 216394902 /nfs/dbraw/zinc/39/49/02/216394902.db2.gz BTZWJPNBNZQHDN-AWEZNQCLSA-N 2 2 369.510 0.979 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369402159 216397247 /nfs/dbraw/zinc/39/72/47/216397247.db2.gz PSIISAQFCDSTKZ-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402159 216397252 /nfs/dbraw/zinc/39/72/52/216397252.db2.gz PSIISAQFCDSTKZ-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188766093 209238901 /nfs/dbraw/zinc/23/89/01/209238901.db2.gz VBMOSYBEHMGCSD-INIZCTEOSA-N 2 2 369.469 0.729 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276082 209229133 /nfs/dbraw/zinc/22/91/33/209229133.db2.gz WKPLENMPGGZOIP-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276082 209229121 /nfs/dbraw/zinc/22/91/21/209229121.db2.gz WKPLENMPGGZOIP-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276082 209229124 /nfs/dbraw/zinc/22/91/24/209229124.db2.gz WKPLENMPGGZOIP-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276082 209229128 /nfs/dbraw/zinc/22/91/28/209229128.db2.gz WKPLENMPGGZOIP-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188308796 209228547 /nfs/dbraw/zinc/22/85/47/209228547.db2.gz XTXPXKMVTNKRAY-DNVCBOLYSA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188308796 209228556 /nfs/dbraw/zinc/22/85/56/209228556.db2.gz XTXPXKMVTNKRAY-DNVCBOLYSA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188308796 209228558 /nfs/dbraw/zinc/22/85/58/209228558.db2.gz XTXPXKMVTNKRAY-DNVCBOLYSA-N 2 2 362.474 0.789 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000188356583 209228332 /nfs/dbraw/zinc/22/83/32/209228332.db2.gz DEUNQFZTXVZTEY-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000188356583 209228334 /nfs/dbraw/zinc/22/83/34/209228334.db2.gz DEUNQFZTXVZTEY-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000188356583 209228337 /nfs/dbraw/zinc/22/83/37/209228337.db2.gz DEUNQFZTXVZTEY-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000188356583 209228338 /nfs/dbraw/zinc/22/83/38/209228338.db2.gz DEUNQFZTXVZTEY-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000188190856 209226672 /nfs/dbraw/zinc/22/66/72/209226672.db2.gz DIDORDINYSJRSH-OAHLLOKOSA-N 2 2 356.426 0.862 20 0 FCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)co1 ZINC000188190917 209226163 /nfs/dbraw/zinc/22/61/63/209226163.db2.gz LDWBGYBERJIDBW-MRXNPFEDSA-N 2 2 359.426 0.936 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1(CO)CCOCC1 ZINC000276732031 212282175 /nfs/dbraw/zinc/28/21/75/212282175.db2.gz DNDOENPMQYOPEQ-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1(CO)CCOCC1 ZINC000276732031 212282177 /nfs/dbraw/zinc/28/21/77/212282177.db2.gz DNDOENPMQYOPEQ-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000187900254 209221405 /nfs/dbraw/zinc/22/14/05/209221405.db2.gz YELBWSGPYVHDRL-DLBZAZTESA-N 2 2 360.458 0.583 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1CCO ZINC000187281541 209207951 /nfs/dbraw/zinc/20/79/51/209207951.db2.gz PIVKDQHEZUUHTP-VQIMIIECSA-N 2 2 361.486 0.709 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1CCO ZINC000187281541 209207955 /nfs/dbraw/zinc/20/79/55/209207955.db2.gz PIVKDQHEZUUHTP-VQIMIIECSA-N 2 2 361.486 0.709 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000187090543 209203599 /nfs/dbraw/zinc/20/35/99/209203599.db2.gz QQVRQHAKDBOIHE-UHFFFAOYSA-N 3 2 367.538 0.567 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC000187090543 209203603 /nfs/dbraw/zinc/20/36/03/209203603.db2.gz QQVRQHAKDBOIHE-UHFFFAOYSA-N 3 2 367.538 0.567 20 0 FCADLP COCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000275543099 212047087 /nfs/dbraw/zinc/04/70/87/212047087.db2.gz ZFJHMZNSEUWQIS-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000275543099 212047090 /nfs/dbraw/zinc/04/70/90/212047090.db2.gz ZFJHMZNSEUWQIS-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000373278375 217004048 /nfs/dbraw/zinc/00/40/48/217004048.db2.gz NUXVZYAWEKROIN-HXUWFJFHSA-N 2 2 365.518 0.985 20 0 FCADLP O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000373278375 217004051 /nfs/dbraw/zinc/00/40/51/217004051.db2.gz NUXVZYAWEKROIN-HXUWFJFHSA-N 2 2 365.518 0.985 20 0 FCADLP CN1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc2C1=O ZINC000373326687 217008491 /nfs/dbraw/zinc/00/84/91/217008491.db2.gz DPXPRMQBDBYQDF-SFHVURJKSA-N 2 2 358.486 0.998 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000414681288 245311257 /nfs/dbraw/zinc/31/12/57/245311257.db2.gz OTARPQAPWFCADM-QGZVFWFLSA-N 2 2 362.474 0.818 20 0 FCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000414750607 245317781 /nfs/dbraw/zinc/31/77/81/245317781.db2.gz YHZBTDVKEPJLFN-MRXNPFEDSA-N 2 2 362.449 0.667 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)NCCCC[NH3+])c2)CC1 ZINC000415025040 245342607 /nfs/dbraw/zinc/34/26/07/245342607.db2.gz PZWKPKGNSXWSEU-UHFFFAOYSA-N 2 2 369.491 0.483 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000415079738 245345824 /nfs/dbraw/zinc/34/58/24/245345824.db2.gz KMEYYWMQFRHNAF-MRXNPFEDSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H]1C[NH3+] ZINC000415241258 245369361 /nfs/dbraw/zinc/36/93/61/245369361.db2.gz RUAMRQHVXUXVBS-ZBFHGGJFSA-N 2 2 350.467 0.806 20 0 FCADLP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1COCC[NH+]1C1CCCC1 ZINC000373526409 217029141 /nfs/dbraw/zinc/02/91/41/217029141.db2.gz CRHXRPSEWZIPEU-ZWKOTPCHSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1COCC[NH+]1C1CCCC1 ZINC000373526409 217029145 /nfs/dbraw/zinc/02/91/45/217029145.db2.gz CRHXRPSEWZIPEU-ZWKOTPCHSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373526409 217029149 /nfs/dbraw/zinc/02/91/49/217029149.db2.gz CRHXRPSEWZIPEU-ZWKOTPCHSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373526409 217029151 /nfs/dbraw/zinc/02/91/51/217029151.db2.gz CRHXRPSEWZIPEU-ZWKOTPCHSA-N 2 2 353.507 0.983 20 0 FCADLP COC(=O)[C@]1(C)CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000374311536 217117262 /nfs/dbraw/zinc/11/72/62/217117262.db2.gz CCGSQMKMWPMAJX-RDTXWAMCSA-N 2 2 354.495 0.853 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374324526 217118001 /nfs/dbraw/zinc/11/80/01/217118001.db2.gz MQIOEUBBHQCKTN-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374324526 217118003 /nfs/dbraw/zinc/11/80/03/217118003.db2.gz MQIOEUBBHQCKTN-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@H](C)O1 ZINC000374325711 217118306 /nfs/dbraw/zinc/11/83/06/217118306.db2.gz QMCRRSHGLLNXEV-FJIDUMEYSA-N 2 2 352.523 0.580 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C[C@H](C)O1 ZINC000374325711 217118309 /nfs/dbraw/zinc/11/83/09/217118309.db2.gz QMCRRSHGLLNXEV-FJIDUMEYSA-N 2 2 352.523 0.580 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621503 217149532 /nfs/dbraw/zinc/14/95/32/217149532.db2.gz WHWXCXLRHZTVNF-HUUCEWRRSA-N 2 2 364.494 0.868 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621503 217149535 /nfs/dbraw/zinc/14/95/35/217149535.db2.gz WHWXCXLRHZTVNF-HUUCEWRRSA-N 2 2 364.494 0.868 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cncc(-n4ccnn4)c3)C2)CC1 ZINC000374765375 217168560 /nfs/dbraw/zinc/16/85/60/217168560.db2.gz JVMRDBRBPOQCGS-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cncc(-n4ccnn4)c3)C2)CC1 ZINC000374765375 217168563 /nfs/dbraw/zinc/16/85/63/217168563.db2.gz JVMRDBRBPOQCGS-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000183938832 209153936 /nfs/dbraw/zinc/15/39/36/209153936.db2.gz BYRAHFQIQGTVDH-UHFFFAOYSA-N 2 2 358.486 0.320 20 0 FCADLP Cc1nc(N2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc[nH+]1 ZINC000183799310 209152233 /nfs/dbraw/zinc/15/22/33/209152233.db2.gz GJUSIBKBVCWTCS-UHFFFAOYSA-N 2 2 360.506 0.896 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCN1CCCn1cc[nH+]c1 ZINC000183193072 209142561 /nfs/dbraw/zinc/14/25/61/209142561.db2.gz ILQGVRMHQJLXHL-GOSISDBHSA-N 3 2 373.505 0.634 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCN1CCCn1cc[nH+]c1 ZINC000183193072 209142563 /nfs/dbraw/zinc/14/25/63/209142563.db2.gz ILQGVRMHQJLXHL-GOSISDBHSA-N 3 2 373.505 0.634 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@H+](CCCn2ccnc2)CCN1CCCn1cc[nH+]c1 ZINC000183193072 209142565 /nfs/dbraw/zinc/14/25/65/209142565.db2.gz ILQGVRMHQJLXHL-GOSISDBHSA-N 2 2 373.505 0.634 20 0 FCADLP CN(C)C(=O)[C@H]1C[N@@H+](CCCn2ccnc2)CCN1CCCn1cc[nH+]c1 ZINC000183193072 209142568 /nfs/dbraw/zinc/14/25/68/209142568.db2.gz ILQGVRMHQJLXHL-GOSISDBHSA-N 2 2 373.505 0.634 20 0 FCADLP C[C@H]([C@H](C)NC(=O)c1ccnc(OCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000183174144 209142203 /nfs/dbraw/zinc/14/22/03/209142203.db2.gz VJBLJCAPPVOLCE-LSDHHAIUSA-N 2 2 350.463 0.861 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000182616314 209132835 /nfs/dbraw/zinc/13/28/35/209132835.db2.gz OKGVNUKKGICQQR-HNNXBMFYSA-N 2 2 356.488 0.920 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCS(=O)(=O)N(C)C)CC2)CC1 ZINC000375691495 217299322 /nfs/dbraw/zinc/29/93/22/217299322.db2.gz WRLRZXZVZRCGSF-UHFFFAOYSA-N 2 2 374.551 0.144 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375805743 217319389 /nfs/dbraw/zinc/31/93/89/217319389.db2.gz NIRWQMSAPSYCKW-HZPDHXFCSA-N 2 2 368.478 0.130 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nc[nH+]2)C1 ZINC000375906054 217333525 /nfs/dbraw/zinc/33/35/25/217333525.db2.gz OAJRHZIYQPRKEY-IKGGRYGDSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)nc[nH+]2)C1 ZINC000375906055 217333623 /nfs/dbraw/zinc/33/36/23/217333623.db2.gz OAJRHZIYQPRKEY-IXDOHACOSA-N 2 2 361.490 0.721 20 0 FCADLP C[C@@](O)(CNC(=O)NC[C@H]1CCCn2cc[nH+]c21)C[NH+]1CCOCC1 ZINC000375959085 217338034 /nfs/dbraw/zinc/33/80/34/217338034.db2.gz FGMVXJCXBKRCGO-RHSMWYFYSA-N 2 2 351.451 0.143 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000376135311 217359370 /nfs/dbraw/zinc/35/93/70/217359370.db2.gz SGIUCSXAYOHXED-RTBURBONSA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000376135311 217359373 /nfs/dbraw/zinc/35/93/73/217359373.db2.gz SGIUCSXAYOHXED-RTBURBONSA-N 2 2 364.534 0.868 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376364786 217389991 /nfs/dbraw/zinc/38/99/91/217389991.db2.gz LAPPYBKRYVHPCY-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376364786 217389993 /nfs/dbraw/zinc/38/99/93/217389993.db2.gz LAPPYBKRYVHPCY-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000376327081 217385487 /nfs/dbraw/zinc/38/54/87/217385487.db2.gz GNGZHVXNMDKLRE-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000376327081 217385490 /nfs/dbraw/zinc/38/54/90/217385490.db2.gz GNGZHVXNMDKLRE-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000418881115 245885493 /nfs/dbraw/zinc/88/54/93/245885493.db2.gz WVCYMZGWNWOGLL-IUODEOHRSA-N 2 2 352.866 0.927 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000419032296 245947765 /nfs/dbraw/zinc/94/77/65/245947765.db2.gz AXQHYXOWDJVRBK-UHFFFAOYSA-N 2 2 355.442 0.947 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419114070 245988501 /nfs/dbraw/zinc/98/85/01/245988501.db2.gz HQUYZYVSFKGUJT-FQEVSTJZSA-N 2 2 371.485 0.900 20 0 FCADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419127359 246001153 /nfs/dbraw/zinc/00/11/53/246001153.db2.gz PUQHPBYYFJHOOQ-SJORKVTESA-N 2 2 369.469 0.834 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419129926 246004868 /nfs/dbraw/zinc/00/48/68/246004868.db2.gz YZMIVWACODLLSI-HNNXBMFYSA-N 2 2 355.442 0.410 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419129928 246005572 /nfs/dbraw/zinc/00/55/72/246005572.db2.gz YZMIVWACODLLSI-OAHLLOKOSA-N 2 2 355.442 0.410 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419155379 246022511 /nfs/dbraw/zinc/02/25/11/246022511.db2.gz RHCOYQWZBHPYNP-OAHLLOKOSA-N 2 2 357.458 0.843 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]1 ZINC000419131577 246007525 /nfs/dbraw/zinc/00/75/25/246007525.db2.gz CUOFOXCYFXUFBH-HNNXBMFYSA-N 2 2 355.442 0.562 20 0 FCADLP Cc1cccc(N2CCC(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)[nH+]1 ZINC000419130832 246007616 /nfs/dbraw/zinc/00/76/16/246007616.db2.gz FXVIYCCEANFGGX-CALCHBBNSA-N 2 2 371.485 0.828 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419147845 246017046 /nfs/dbraw/zinc/01/70/46/246017046.db2.gz IUGSUJVDEUVMMX-QGZVFWFLSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419160557 246026891 /nfs/dbraw/zinc/02/68/91/246026891.db2.gz ZKDKDJOICFZVMB-RDJZCZTQSA-N 2 2 369.469 0.938 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c[nH+]2)CC1 ZINC000419200478 246047984 /nfs/dbraw/zinc/04/79/84/246047984.db2.gz DTODYIKNDWXYPG-MRXNPFEDSA-N 2 2 359.474 0.788 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419271573 246082338 /nfs/dbraw/zinc/08/23/38/246082338.db2.gz FVMYSELICCNKIH-RHSMWYFYSA-N 2 2 355.442 0.804 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270038 246082912 /nfs/dbraw/zinc/08/29/12/246082912.db2.gz CNAHVTFOMWKRTP-PBHICJAKSA-N 2 2 355.442 0.662 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000419308045 246092868 /nfs/dbraw/zinc/09/28/68/246092868.db2.gz OJUVDOSZRGYLDC-OAHLLOKOSA-N 2 2 359.474 0.885 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419310263 246095598 /nfs/dbraw/zinc/09/55/98/246095598.db2.gz QRSGSPBAAIBKNB-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000419315025 246096247 /nfs/dbraw/zinc/09/62/47/246096247.db2.gz VLRVVRGAUMXDJV-UHFFFAOYSA-N 2 2 359.474 0.885 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419414556 246147637 /nfs/dbraw/zinc/14/76/37/246147637.db2.gz FLGCBUDNQGDXGR-OAHLLOKOSA-N 2 2 354.495 0.252 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419395824 246133029 /nfs/dbraw/zinc/13/30/29/246133029.db2.gz USAQPFCVBBYFSS-TUKIKUTGSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419395824 246133034 /nfs/dbraw/zinc/13/30/34/246133034.db2.gz USAQPFCVBBYFSS-TUKIKUTGSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000419635287 246224543 /nfs/dbraw/zinc/22/45/43/246224543.db2.gz CVQWCFJCDXUJJC-JSGCOSHPSA-N 2 2 363.462 0.107 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000419691986 246252635 /nfs/dbraw/zinc/25/26/35/246252635.db2.gz XOCFYXGIVCPGTH-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419846704 246317848 /nfs/dbraw/zinc/31/78/48/246317848.db2.gz RZJKMWHLPVELQZ-DZGCQCFKSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419936251 246377780 /nfs/dbraw/zinc/37/77/80/246377780.db2.gz KTMKNTYVDRKAGW-DOTOQJQBSA-N 2 2 359.474 0.545 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419922152 246370262 /nfs/dbraw/zinc/37/02/62/246370262.db2.gz YXOUEUIHSAYKFK-ZLHKHBAESA-N 2 2 370.497 0.960 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000419928299 246372309 /nfs/dbraw/zinc/37/23/09/246372309.db2.gz KVCXLWHBCDPTNS-IRXDYDNUSA-N 2 2 354.410 0.878 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000419928298 246374145 /nfs/dbraw/zinc/37/41/45/246374145.db2.gz KVCXLWHBCDPTNS-DLBZAZTESA-N 2 2 354.410 0.878 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887088 246352169 /nfs/dbraw/zinc/35/21/69/246352169.db2.gz QFWXQWYYERTCNR-LSDHHAIUSA-N 2 2 355.442 0.814 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000419941850 246381683 /nfs/dbraw/zinc/38/16/83/246381683.db2.gz YDIQYGKIHDTODI-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000419941850 246381687 /nfs/dbraw/zinc/38/16/87/246381687.db2.gz YDIQYGKIHDTODI-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419965130 246391270 /nfs/dbraw/zinc/39/12/70/246391270.db2.gz JOAHLZLBAGQEJD-KRWDZBQOSA-N 2 2 368.522 0.579 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000423361553 247012140 /nfs/dbraw/zinc/01/21/40/247012140.db2.gz XCJSSMJZKQKKBE-JTQLQIEISA-N 2 2 355.192 0.603 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423377005 247014900 /nfs/dbraw/zinc/01/49/00/247014900.db2.gz VLSJJINXGUDYSP-HZPDHXFCSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000423310669 247000902 /nfs/dbraw/zinc/00/09/02/247000902.db2.gz AQJDJQAKWMOGRJ-BQFCYCMXSA-N 2 2 373.501 0.873 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423306918 247001451 /nfs/dbraw/zinc/00/14/51/247001451.db2.gz FSHNARHVYCCUMB-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423306918 247001454 /nfs/dbraw/zinc/00/14/54/247001454.db2.gz FSHNARHVYCCUMB-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423312514 247002750 /nfs/dbraw/zinc/00/27/50/247002750.db2.gz DGLKSLJJQINCKO-NUJGCVRESA-N 2 2 373.501 0.730 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000423549605 247048780 /nfs/dbraw/zinc/04/87/80/247048780.db2.gz HVYUGJUMWCOTNA-RDJZCZTQSA-N 2 2 374.485 0.678 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000423549605 247048785 /nfs/dbraw/zinc/04/87/85/247048785.db2.gz HVYUGJUMWCOTNA-RDJZCZTQSA-N 2 2 374.485 0.678 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423600072 247070309 /nfs/dbraw/zinc/07/03/09/247070309.db2.gz XZEKBMOYSPVYAM-HOTGVXAUSA-N 2 2 359.474 0.897 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423496210 247038098 /nfs/dbraw/zinc/03/80/98/247038098.db2.gz GAGDJOQWGULVNH-LSDHHAIUSA-N 2 2 355.442 0.895 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000423677366 247107064 /nfs/dbraw/zinc/10/70/64/247107064.db2.gz JYQRHCDOQDFZLY-UHFFFAOYSA-N 2 2 374.485 0.420 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423605642 247072056 /nfs/dbraw/zinc/07/20/56/247072056.db2.gz HIIWHUGTWCHYFZ-JXFKEZNVSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423605642 247072061 /nfs/dbraw/zinc/07/20/61/247072061.db2.gz HIIWHUGTWCHYFZ-JXFKEZNVSA-N 2 2 358.486 0.917 20 0 FCADLP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423605947 247072402 /nfs/dbraw/zinc/07/24/02/247072402.db2.gz HUENVFOKHUNWRA-UHFFFAOYSA-N 2 2 350.488 0.257 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423608098 247072744 /nfs/dbraw/zinc/07/27/44/247072744.db2.gz JWNXKEVKYVMRCQ-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423608098 247072750 /nfs/dbraw/zinc/07/27/50/247072750.db2.gz JWNXKEVKYVMRCQ-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423605652 247072859 /nfs/dbraw/zinc/07/28/59/247072859.db2.gz HIIWHUGTWCHYFZ-OXQOHEQNSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423605652 247072865 /nfs/dbraw/zinc/07/28/65/247072865.db2.gz HIIWHUGTWCHYFZ-OXQOHEQNSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423619495 247079138 /nfs/dbraw/zinc/07/91/38/247079138.db2.gz YPWUBJXGBCSHKH-XYJFISCASA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423619495 247079142 /nfs/dbraw/zinc/07/91/42/247079142.db2.gz YPWUBJXGBCSHKH-XYJFISCASA-N 2 2 358.486 0.915 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423626122 247081699 /nfs/dbraw/zinc/08/16/99/247081699.db2.gz RYPHPFIHWWDRSD-QGZVFWFLSA-N 2 2 374.485 0.679 20 0 FCADLP O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000423769329 247139157 /nfs/dbraw/zinc/13/91/57/247139157.db2.gz DZCZKDCXYZHLFJ-HNNXBMFYSA-N 2 2 360.462 0.104 20 0 FCADLP O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000423769329 247139160 /nfs/dbraw/zinc/13/91/60/247139160.db2.gz DZCZKDCXYZHLFJ-HNNXBMFYSA-N 2 2 360.462 0.104 20 0 FCADLP Cc1nc(N2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc[nH+]1 ZINC000423777312 247141936 /nfs/dbraw/zinc/14/19/36/247141936.db2.gz FYRXXJVYEFKPTA-SIXWZSSISA-N 2 2 359.474 0.966 20 0 FCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423897770 247148410 /nfs/dbraw/zinc/14/84/10/247148410.db2.gz LFQYVAXXGRJPLW-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423899888 247149287 /nfs/dbraw/zinc/14/92/87/247149287.db2.gz LFQYVAXXGRJPLW-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000423701002 247115514 /nfs/dbraw/zinc/11/55/14/247115514.db2.gz VUUBTEKUDUWWJI-ARFHVFGLSA-N 2 2 361.490 0.930 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423713505 247119658 /nfs/dbraw/zinc/11/96/58/247119658.db2.gz QFCPBZQMASINEV-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423716770 247121538 /nfs/dbraw/zinc/12/15/38/247121538.db2.gz YFLPPMURVLZYQA-KRWDZBQOSA-N 2 2 350.438 0.569 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423721295 247126058 /nfs/dbraw/zinc/12/60/58/247126058.db2.gz DYXBYQCRHALWAT-HZPDHXFCSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000423739077 247134412 /nfs/dbraw/zinc/13/44/12/247134412.db2.gz QZGCKOSHNRNBGS-JONQDZQNSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000423739077 247134415 /nfs/dbraw/zinc/13/44/15/247134415.db2.gz QZGCKOSHNRNBGS-JONQDZQNSA-N 2 2 354.495 0.140 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1C ZINC000424329941 247197688 /nfs/dbraw/zinc/19/76/88/247197688.db2.gz HLCDFTKGWZRSKZ-ZIAGYGMSSA-N 2 2 354.476 0.701 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000424139926 247171428 /nfs/dbraw/zinc/17/14/28/247171428.db2.gz AQDDFNIAHZXGEV-HOTGVXAUSA-N 2 2 362.478 0.530 20 0 FCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000424189168 247176414 /nfs/dbraw/zinc/17/64/14/247176414.db2.gz LQMWVRJGNKDKMN-KSZLIROESA-N 2 2 356.470 0.669 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424509285 247244720 /nfs/dbraw/zinc/24/47/20/247244720.db2.gz QCNKMRUCZZIBPG-DGCLKSJQSA-N 2 2 357.405 0.305 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccc[nH+]c1N(C)C)CC[NH2+]CC2 ZINC000424537225 247255021 /nfs/dbraw/zinc/25/50/21/247255021.db2.gz BKFZIPSOVYNYFN-CQSZACIVSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000425393722 247332397 /nfs/dbraw/zinc/33/23/97/247332397.db2.gz DRJJTBIRQLAPMQ-LTIDMASMSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000425393722 247332402 /nfs/dbraw/zinc/33/24/02/247332402.db2.gz DRJJTBIRQLAPMQ-LTIDMASMSA-N 2 2 359.474 0.845 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000425397649 247335480 /nfs/dbraw/zinc/33/54/80/247335480.db2.gz GSOAXPLFWMWSPG-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000425397649 247335484 /nfs/dbraw/zinc/33/54/84/247335484.db2.gz GSOAXPLFWMWSPG-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CCC[NH+](C)C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000425258486 247312952 /nfs/dbraw/zinc/31/29/52/247312952.db2.gz TUJBVWCDRQMJDL-UHFFFAOYSA-N 2 2 369.535 0.796 20 0 FCADLP C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435618818 248003887 /nfs/dbraw/zinc/00/38/87/248003887.db2.gz VASRRKPRIBVABE-HNNXBMFYSA-N 2 2 368.503 0.067 20 0 FCADLP C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435618818 248003892 /nfs/dbraw/zinc/00/38/92/248003892.db2.gz VASRRKPRIBVABE-HNNXBMFYSA-N 2 2 368.503 0.067 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000435580967 248001906 /nfs/dbraw/zinc/00/19/06/248001906.db2.gz SWMCZFLITBCWHH-IKGGRYGDSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000435580967 248001911 /nfs/dbraw/zinc/00/19/11/248001911.db2.gz SWMCZFLITBCWHH-IKGGRYGDSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435622014 248004372 /nfs/dbraw/zinc/00/43/72/248004372.db2.gz BGJSPOBHVSYTQQ-HNNXBMFYSA-N 2 2 362.540 0.237 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435622014 248004375 /nfs/dbraw/zinc/00/43/75/248004375.db2.gz BGJSPOBHVSYTQQ-HNNXBMFYSA-N 2 2 362.540 0.237 20 0 FCADLP CCCNC(=O)NC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435693651 248010622 /nfs/dbraw/zinc/01/06/22/248010622.db2.gz JRPLDRMECBUMGQ-AWEZNQCLSA-N 2 2 362.478 0.600 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440190610 248162175 /nfs/dbraw/zinc/16/21/75/248162175.db2.gz SOGSCPSNNGJLCL-ZWKOTPCHSA-N 2 2 370.538 0.831 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440190610 248162180 /nfs/dbraw/zinc/16/21/80/248162180.db2.gz SOGSCPSNNGJLCL-ZWKOTPCHSA-N 2 2 370.538 0.831 20 0 FCADLP Cc1nc2n(n1)CCN(C(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)C2 ZINC000439330538 248121987 /nfs/dbraw/zinc/12/19/87/248121987.db2.gz MUWJPXVZQKPSDE-UHFFFAOYSA-N 2 2 361.494 0.670 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1(C)C ZINC000440984178 248229846 /nfs/dbraw/zinc/22/98/46/248229846.db2.gz IKZWIIMCYAURLJ-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244977 248245676 /nfs/dbraw/zinc/24/56/76/248245676.db2.gz LGQLWVSEYIMGRV-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244977 248245678 /nfs/dbraw/zinc/24/56/78/248245678.db2.gz LGQLWVSEYIMGRV-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444169545 248349718 /nfs/dbraw/zinc/34/97/18/248349718.db2.gz RBLOSVHHVWICFD-FXAWDEMLSA-N 2 2 362.518 0.827 20 0 FCADLP CCOC1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)([NH+]2CCOCC2)C1 ZINC000444570994 248364374 /nfs/dbraw/zinc/36/43/74/248364374.db2.gz BPRYPEFLLPKHAD-MUYFXNHWSA-N 2 2 369.506 0.341 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445863873 248378690 /nfs/dbraw/zinc/37/86/90/248378690.db2.gz YXQYJANPZRYXOH-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)CC2)cn1 ZINC000446367029 248387762 /nfs/dbraw/zinc/38/77/62/248387762.db2.gz QDHDILUROZMQRQ-FRQCXROJSA-N 2 2 361.490 0.597 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCC[N@@H+]1CCCO)n2C ZINC000452773002 249331773 /nfs/dbraw/zinc/33/17/73/249331773.db2.gz AMAILNQMJUXHKR-CYBMUJFWSA-N 2 2 360.462 0.611 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1CCC[N@H+]1CCCO)n2C ZINC000452773002 249331779 /nfs/dbraw/zinc/33/17/79/249331779.db2.gz AMAILNQMJUXHKR-CYBMUJFWSA-N 2 2 360.462 0.611 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453691855 249354782 /nfs/dbraw/zinc/35/47/82/249354782.db2.gz JGZSBJCDPQCMIT-SFHVURJKSA-N 2 2 374.485 0.965 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453721970 249361220 /nfs/dbraw/zinc/36/12/20/249361220.db2.gz SKVCDYZDMLUQBX-KDOFPFPSSA-N 2 2 374.485 0.699 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn2cc[nH+]c12 ZINC000453946709 249393469 /nfs/dbraw/zinc/39/34/69/249393469.db2.gz JGHQGWCMZVUJCD-GASCZTMLSA-N 2 2 357.414 0.561 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn2cc[nH+]c12 ZINC000453946709 249393474 /nfs/dbraw/zinc/39/34/74/249393474.db2.gz JGHQGWCMZVUJCD-GASCZTMLSA-N 2 2 357.414 0.561 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000459922401 249791576 /nfs/dbraw/zinc/79/15/76/249791576.db2.gz PWSVVWZMSXYQCP-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000271083440 211329673 /nfs/dbraw/zinc/32/96/73/211329673.db2.gz GQCJHRGSOPGTSZ-PKOBYXMFSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000271083440 211329678 /nfs/dbraw/zinc/32/96/78/211329678.db2.gz GQCJHRGSOPGTSZ-PKOBYXMFSA-N 2 2 361.486 0.972 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000270527882 211217689 /nfs/dbraw/zinc/21/76/89/211217689.db2.gz UZAYZEOLHPWKMG-VDERGJSUSA-N 2 2 366.462 0.744 20 0 FCADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000470071134 250023746 /nfs/dbraw/zinc/02/37/46/250023746.db2.gz IGIARMVGMBKOLD-ZDUSSCGKSA-N 2 2 360.462 0.563 20 0 FCADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000470071134 250023748 /nfs/dbraw/zinc/02/37/48/250023748.db2.gz IGIARMVGMBKOLD-ZDUSSCGKSA-N 2 2 360.462 0.563 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000471642194 250111306 /nfs/dbraw/zinc/11/13/06/250111306.db2.gz ARSKNBAVCJMEBF-UHFFFAOYSA-N 2 2 364.490 0.896 20 0 FCADLP C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000472166879 250136649 /nfs/dbraw/zinc/13/66/49/250136649.db2.gz ASBWGHFBJXLASA-INIZCTEOSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000472166879 250136653 /nfs/dbraw/zinc/13/66/53/250136653.db2.gz ASBWGHFBJXLASA-INIZCTEOSA-N 2 2 374.485 0.345 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000472978541 250191168 /nfs/dbraw/zinc/19/11/68/250191168.db2.gz NXNOMILXLRWFSX-MSOLQXFVSA-N 2 2 369.554 0.765 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000480905553 250294584 /nfs/dbraw/zinc/29/45/84/250294584.db2.gz YZRCEHHJOIJBFI-KBPBESRZSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000480905553 250294587 /nfs/dbraw/zinc/29/45/87/250294587.db2.gz YZRCEHHJOIJBFI-KBPBESRZSA-N 2 2 357.524 0.775 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000480917874 250296116 /nfs/dbraw/zinc/29/61/16/250296116.db2.gz PTJZYWWHVIDNMY-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260056 250327526 /nfs/dbraw/zinc/32/75/26/250327526.db2.gz QFTHMIAPDHTTTO-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260056 250327535 /nfs/dbraw/zinc/32/75/35/250327535.db2.gz QFTHMIAPDHTTTO-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000481260056 250327539 /nfs/dbraw/zinc/32/75/39/250327539.db2.gz QFTHMIAPDHTTTO-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000481260056 250327544 /nfs/dbraw/zinc/32/75/44/250327544.db2.gz QFTHMIAPDHTTTO-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480967237 250302374 /nfs/dbraw/zinc/30/23/74/250302374.db2.gz DDECXZSOWUBECH-UHFFFAOYSA-N 2 2 351.451 0.809 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000481284764 250328418 /nfs/dbraw/zinc/32/84/18/250328418.db2.gz OYJVINXXJLIORO-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000481284764 250328424 /nfs/dbraw/zinc/32/84/24/250328424.db2.gz OYJVINXXJLIORO-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000481284764 250328429 /nfs/dbraw/zinc/32/84/29/250328429.db2.gz OYJVINXXJLIORO-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000481284764 250328434 /nfs/dbraw/zinc/32/84/34/250328434.db2.gz OYJVINXXJLIORO-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccccc1 ZINC000481311740 250330882 /nfs/dbraw/zinc/33/08/82/250330882.db2.gz SRVIYKFEEPEEQU-QGZVFWFLSA-N 2 2 355.442 0.959 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1ccccc1 ZINC000481311740 250330888 /nfs/dbraw/zinc/33/08/88/250330888.db2.gz SRVIYKFEEPEEQU-QGZVFWFLSA-N 2 2 355.442 0.959 20 0 FCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000482631767 250396022 /nfs/dbraw/zinc/39/60/22/250396022.db2.gz PDKKBJNGEJVIRN-GOEBONIOSA-N 2 2 371.503 0.281 20 0 FCADLP Cc1cccc(N2CCC(NC(=O)C(=O)N3CCn4cc[nH+]c4C3)CC2)[nH+]1 ZINC000481830306 250366410 /nfs/dbraw/zinc/36/64/10/250366410.db2.gz OUBFCQQNEWLCGT-UHFFFAOYSA-N 2 2 368.441 0.714 20 0 FCADLP CCC(=O)N[C@@H](CCSC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000481993277 250373356 /nfs/dbraw/zinc/37/33/56/250373356.db2.gz NTUZWZQQZYWZJL-HNNXBMFYSA-N 2 2 358.552 0.777 20 0 FCADLP CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482009039 250375217 /nfs/dbraw/zinc/37/52/17/250375217.db2.gz UAKSVXUCJBFEDP-ZFWWWQNUSA-N 2 2 362.540 0.093 20 0 FCADLP CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482009037 250375301 /nfs/dbraw/zinc/37/53/01/250375301.db2.gz UAKSVXUCJBFEDP-UKRRQHHQSA-N 2 2 362.540 0.093 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCS(C)(=O)=O)CC2)CC1 ZINC000066568367 208020831 /nfs/dbraw/zinc/02/08/31/208020831.db2.gz JZWOVXNYZZBEJX-UHFFFAOYSA-N 2 2 359.536 0.687 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000072554099 208035825 /nfs/dbraw/zinc/03/58/25/208035825.db2.gz CGFYTMVJHIWTQF-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000074372319 208054327 /nfs/dbraw/zinc/05/43/27/208054327.db2.gz OJRFNNSJEJGFCL-QZTJIDSGSA-N 2 2 368.522 0.851 20 0 FCADLP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000081554878 208103603 /nfs/dbraw/zinc/10/36/03/208103603.db2.gz AADGHDOAAHNISL-MRXNPFEDSA-N 2 2 368.522 0.452 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077594365 208073907 /nfs/dbraw/zinc/07/39/07/208073907.db2.gz MIVLHZAKULHGTJ-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000081554878 208103598 /nfs/dbraw/zinc/10/35/98/208103598.db2.gz AADGHDOAAHNISL-MRXNPFEDSA-N 2 2 368.522 0.452 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(Cn4ccnn4)CC3)cn2)CC1 ZINC000092098564 208143600 /nfs/dbraw/zinc/14/36/00/208143600.db2.gz QIRZLFZHQSEAFS-UHFFFAOYSA-N 2 2 356.478 0.732 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000093192757 208153146 /nfs/dbraw/zinc/15/31/46/208153146.db2.gz QAVUKRFJFYPKFP-MRXNPFEDSA-N 2 2 363.437 0.796 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000093192757 208153150 /nfs/dbraw/zinc/15/31/50/208153150.db2.gz QAVUKRFJFYPKFP-MRXNPFEDSA-N 2 2 363.437 0.796 20 0 FCADLP CCOc1ccnc(N2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000093191241 208153425 /nfs/dbraw/zinc/15/34/25/208153425.db2.gz ZGMGYJNJECWUIF-UHFFFAOYSA-N 2 2 362.478 0.161 20 0 FCADLP CCOc1ccnc(N2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000093191241 208153430 /nfs/dbraw/zinc/15/34/30/208153430.db2.gz ZGMGYJNJECWUIF-UHFFFAOYSA-N 2 2 362.478 0.161 20 0 FCADLP Cc1nc2n(n1)C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000105235034 208194585 /nfs/dbraw/zinc/19/45/85/208194585.db2.gz IKDFMWNUZREIAM-HNNXBMFYSA-N 2 2 363.510 0.569 20 0 FCADLP Cc1nc2n(n1)C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000105235034 208194591 /nfs/dbraw/zinc/19/45/91/208194591.db2.gz IKDFMWNUZREIAM-HNNXBMFYSA-N 2 2 363.510 0.569 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105740017 208204356 /nfs/dbraw/zinc/20/43/56/208204356.db2.gz NQEOODXZFIZQDQ-GJZGRUSLSA-N 2 2 362.474 0.912 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000106529814 208228439 /nfs/dbraw/zinc/22/84/39/208228439.db2.gz RWUVPCMPWGXJLF-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000108919268 208251187 /nfs/dbraw/zinc/25/11/87/208251187.db2.gz QRBPJIIGZBJJGB-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796600 208262129 /nfs/dbraw/zinc/26/21/29/208262129.db2.gz WKUVWOFMOVAPHO-UKRRQHHQSA-N 2 2 354.476 0.554 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112212509 208290392 /nfs/dbraw/zinc/29/03/92/208290392.db2.gz DJEPLNDSOFZOAD-QGZVFWFLSA-N 2 2 354.495 0.463 20 0 FCADLP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000118999130 208353073 /nfs/dbraw/zinc/35/30/73/208353073.db2.gz VHJUFRWPVBZKQY-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000118999130 208353076 /nfs/dbraw/zinc/35/30/76/208353076.db2.gz VHJUFRWPVBZKQY-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119809424 208367760 /nfs/dbraw/zinc/36/77/60/208367760.db2.gz LNSIGLMYXMAHLU-INIZCTEOSA-N 2 2 364.490 0.895 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000119809424 208367766 /nfs/dbraw/zinc/36/77/66/208367766.db2.gz LNSIGLMYXMAHLU-INIZCTEOSA-N 2 2 364.490 0.895 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000266627924 210371103 /nfs/dbraw/zinc/37/11/03/210371103.db2.gz HSFBCXDPEOGZNY-UHFFFAOYSA-N 2 2 360.418 0.290 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000266627924 210371108 /nfs/dbraw/zinc/37/11/08/210371108.db2.gz HSFBCXDPEOGZNY-UHFFFAOYSA-N 2 2 360.418 0.290 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(N3CCCNC3=O)CC2)CC1 ZINC000178471830 209050362 /nfs/dbraw/zinc/05/03/62/209050362.db2.gz CLESZJWOJPZVBQ-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000178804072 209062173 /nfs/dbraw/zinc/06/21/73/209062173.db2.gz QTXPLIIRMLWQKX-NVXWUHKLSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC000178876106 209064681 /nfs/dbraw/zinc/06/46/81/209064681.db2.gz UWIGYKKZKCLCJT-MRXNPFEDSA-N 2 2 360.506 0.741 20 0 FCADLP CS(=O)(=O)c1cccc(C(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000178973985 209070446 /nfs/dbraw/zinc/07/04/46/209070446.db2.gz IGWFXHDAJVUZMN-UHFFFAOYSA-N 2 2 365.499 0.848 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC[N@H+](C)C1 ZINC000413396129 533479619 /nfs/dbraw/zinc/47/96/19/533479619.db2.gz ILTRRHMODSHLLJ-CABCVRRESA-N 2 2 363.462 0.815 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC[N@@H+](C)C1 ZINC000413396129 533479622 /nfs/dbraw/zinc/47/96/22/533479622.db2.gz ILTRRHMODSHLLJ-CABCVRRESA-N 2 2 363.462 0.815 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127543712 533612869 /nfs/dbraw/zinc/61/28/69/533612869.db2.gz IMFGYLCXJBUKPN-HZPDHXFCSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127543712 533612878 /nfs/dbraw/zinc/61/28/78/533612878.db2.gz IMFGYLCXJBUKPN-HZPDHXFCSA-N 2 2 363.506 0.561 20 0 FCADLP COCC[NH+](CCOC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046503275 136122360 /nfs/dbraw/zinc/12/23/60/136122360.db2.gz BVJGNMMPEWNOGQ-UHFFFAOYSA-N 2 2 350.463 0.715 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000179282281 209076425 /nfs/dbraw/zinc/07/64/25/209076425.db2.gz VAPFAJGWOHHOJY-UHFFFAOYSA-N 3 2 367.538 0.519 20 0 FCADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179424177 209078981 /nfs/dbraw/zinc/07/89/81/209078981.db2.gz MWHBNQLIQXFTKY-WMZOPIPTSA-N 2 2 374.485 0.926 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127543973 229178034 /nfs/dbraw/zinc/17/80/34/229178034.db2.gz IMFGYLCXJBUKPN-JKSUJKDBSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127543973 229178035 /nfs/dbraw/zinc/17/80/35/229178035.db2.gz IMFGYLCXJBUKPN-JKSUJKDBSA-N 2 2 363.506 0.561 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000163816982 229203466 /nfs/dbraw/zinc/20/34/66/229203466.db2.gz CZDIFGNMVVARNY-UHFFFAOYSA-N 2 2 366.465 0.916 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000165028569 229203777 /nfs/dbraw/zinc/20/37/77/229203777.db2.gz SFLLEXNANJXVBM-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175712656 229214833 /nfs/dbraw/zinc/21/48/33/229214833.db2.gz ZGOKKZHHGHKFDM-ZACQAIPSSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175712656 229214835 /nfs/dbraw/zinc/21/48/35/229214835.db2.gz ZGOKKZHHGHKFDM-ZACQAIPSSA-N 2 2 356.511 0.441 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000175791042 229215861 /nfs/dbraw/zinc/21/58/61/229215861.db2.gz SOJLGWWIUHXJBP-HOTGVXAUSA-N 2 2 358.527 0.687 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000377359096 230000910 /nfs/dbraw/zinc/00/09/10/230000910.db2.gz KCOQWGUKRJHQEB-GJZGRUSLSA-N 2 2 358.446 0.864 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000377359096 230000913 /nfs/dbraw/zinc/00/09/13/230000913.db2.gz KCOQWGUKRJHQEB-GJZGRUSLSA-N 2 2 358.446 0.864 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410468522 230091526 /nfs/dbraw/zinc/09/15/26/230091526.db2.gz BSFGTFBAVVOVLP-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410468522 230091529 /nfs/dbraw/zinc/09/15/29/230091529.db2.gz BSFGTFBAVVOVLP-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410468522 230091533 /nfs/dbraw/zinc/09/15/33/230091533.db2.gz BSFGTFBAVVOVLP-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410468522 230091535 /nfs/dbraw/zinc/09/15/35/230091535.db2.gz BSFGTFBAVVOVLP-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000410476443 230094550 /nfs/dbraw/zinc/09/45/50/230094550.db2.gz PMZLGRFTPIAWKS-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000410476443 230094556 /nfs/dbraw/zinc/09/45/56/230094556.db2.gz PMZLGRFTPIAWKS-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410496155 230104324 /nfs/dbraw/zinc/10/43/24/230104324.db2.gz DAFCAXMMXBPFAE-MRXNPFEDSA-N 2 2 364.446 0.098 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410497912 230104584 /nfs/dbraw/zinc/10/45/84/230104584.db2.gz LMNMRRZZAJNZRV-WBVHZDCISA-N 2 2 373.501 0.896 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410497912 230104589 /nfs/dbraw/zinc/10/45/89/230104589.db2.gz LMNMRRZZAJNZRV-WBVHZDCISA-N 2 2 373.501 0.896 20 0 FCADLP C[C@H]1SCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000410655251 230171114 /nfs/dbraw/zinc/17/11/14/230171114.db2.gz QPMCBLFEKCBUHJ-HUUCEWRRSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@H]1SCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000410655251 230171115 /nfs/dbraw/zinc/17/11/15/230171115.db2.gz QPMCBLFEKCBUHJ-HUUCEWRRSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410702265 230199461 /nfs/dbraw/zinc/19/94/61/230199461.db2.gz WGNUVRSKNVRJOA-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410702265 230199465 /nfs/dbraw/zinc/19/94/65/230199465.db2.gz WGNUVRSKNVRJOA-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000410707740 230203930 /nfs/dbraw/zinc/20/39/30/230203930.db2.gz ZYEVTPRNBRSWFA-HNNXBMFYSA-N 2 2 373.457 0.919 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410731860 230219467 /nfs/dbraw/zinc/21/94/67/230219467.db2.gz IHKRAVNXPDHKDC-OXJNMPFZSA-N 2 2 373.501 0.755 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410731860 230219472 /nfs/dbraw/zinc/21/94/72/230219472.db2.gz IHKRAVNXPDHKDC-OXJNMPFZSA-N 2 2 373.501 0.755 20 0 FCADLP C[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)N1CC[NH+](C)CC1 ZINC000299679926 488866755 /nfs/dbraw/zinc/86/67/55/488866755.db2.gz REEWSGAPKJQTJK-MRXNPFEDSA-N 2 2 360.506 0.086 20 0 FCADLP C[C@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000299681130 488867042 /nfs/dbraw/zinc/86/70/42/488867042.db2.gz RMSDZVMXMGTYIG-JKSUJKDBSA-N 2 2 361.490 0.559 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000363649470 488868921 /nfs/dbraw/zinc/86/89/21/488868921.db2.gz ZRFMUBYAXMOZSI-MAUKXSAKSA-N 2 2 368.547 0.925 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000363649470 488868923 /nfs/dbraw/zinc/86/89/23/488868923.db2.gz ZRFMUBYAXMOZSI-MAUKXSAKSA-N 2 2 368.547 0.925 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)n1 ZINC000533329769 484101025 /nfs/dbraw/zinc/10/10/25/484101025.db2.gz IOPMRIBOVMPIOD-UHFFFAOYSA-N 2 2 355.402 0.347 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301385658 488879862 /nfs/dbraw/zinc/87/98/62/488879862.db2.gz QDEBVJQCORCOAS-CVEARBPZSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301385658 488879865 /nfs/dbraw/zinc/87/98/65/488879865.db2.gz QDEBVJQCORCOAS-CVEARBPZSA-N 2 2 353.488 0.529 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363833076 488890457 /nfs/dbraw/zinc/89/04/57/488890457.db2.gz WXGUEOMVACJCDB-KBAYOESNSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363833076 488890460 /nfs/dbraw/zinc/89/04/60/488890460.db2.gz WXGUEOMVACJCDB-KBAYOESNSA-N 2 2 368.522 0.990 20 0 FCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000302234553 488888537 /nfs/dbraw/zinc/88/85/37/488888537.db2.gz UIRRDQYHRZLKJH-UHFFFAOYSA-N 2 2 365.437 0.892 20 0 FCADLP O=C(CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363835699 488890730 /nfs/dbraw/zinc/89/07/30/488890730.db2.gz WLRGYKIAPHSRFP-HNNXBMFYSA-N 2 2 359.430 0.257 20 0 FCADLP O=C(CC[N@H+]1CCN2C(=O)OC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363835699 488890734 /nfs/dbraw/zinc/89/07/34/488890734.db2.gz WLRGYKIAPHSRFP-HNNXBMFYSA-N 2 2 359.430 0.257 20 0 FCADLP COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000562796828 491189861 /nfs/dbraw/zinc/18/98/61/491189861.db2.gz IYPQLKQJFJWWTF-HOTGVXAUSA-N 2 2 361.490 0.806 20 0 FCADLP COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000562796828 491189864 /nfs/dbraw/zinc/18/98/64/491189864.db2.gz IYPQLKQJFJWWTF-HOTGVXAUSA-N 2 2 361.490 0.806 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCO4)C2)CC1 ZINC000363910595 488899328 /nfs/dbraw/zinc/89/93/28/488899328.db2.gz PWAQIXHLQUBRFK-MRXNPFEDSA-N 2 2 372.469 0.845 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCO4)C2)CC1 ZINC000363910595 488899330 /nfs/dbraw/zinc/89/93/30/488899330.db2.gz PWAQIXHLQUBRFK-MRXNPFEDSA-N 2 2 372.469 0.845 20 0 FCADLP COc1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)cn1 ZINC000287776374 488904240 /nfs/dbraw/zinc/90/42/40/488904240.db2.gz RVZYKXGYGYXISQ-ZIAGYGMSSA-N 2 2 366.437 0.813 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258126 488909167 /nfs/dbraw/zinc/90/91/67/488909167.db2.gz MVGQLAFQOYCZRL-STQMWFEESA-N 2 2 351.476 0.662 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258126 488909171 /nfs/dbraw/zinc/90/91/71/488909171.db2.gz MVGQLAFQOYCZRL-STQMWFEESA-N 2 2 351.476 0.662 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCNC1=O ZINC000364114114 488924328 /nfs/dbraw/zinc/92/43/28/488924328.db2.gz HGGPUNMGHCZTPV-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCNC1=O ZINC000364114114 488924331 /nfs/dbraw/zinc/92/43/31/488924331.db2.gz HGGPUNMGHCZTPV-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1(C)C ZINC000328242442 488921651 /nfs/dbraw/zinc/92/16/51/488921651.db2.gz AHXIKPSOIWKCOF-FRQCXROJSA-N 2 2 354.539 0.907 20 0 FCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000562804762 491190289 /nfs/dbraw/zinc/19/02/89/491190289.db2.gz UJSXDTJQACZYIX-GOSISDBHSA-N 2 2 369.485 0.274 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000287953596 488925219 /nfs/dbraw/zinc/92/52/19/488925219.db2.gz SZJKVXKDYBNVIJ-RHSMWYFYSA-N 2 2 362.478 0.723 20 0 FCADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCC(=O)N1CCCC1 ZINC000364141260 488926812 /nfs/dbraw/zinc/92/68/12/488926812.db2.gz VNCIGWMHCZLLCU-UHFFFAOYSA-N 2 2 366.506 0.159 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)NC3CCCCC3)C2)CC1 ZINC000364206091 488935431 /nfs/dbraw/zinc/93/54/31/488935431.db2.gz JCWRBKQXUGFADT-MRXNPFEDSA-N 2 2 365.522 0.903 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)NC3CCCCC3)C2)CC1 ZINC000364206091 488935432 /nfs/dbraw/zinc/93/54/32/488935432.db2.gz JCWRBKQXUGFADT-MRXNPFEDSA-N 2 2 365.522 0.903 20 0 FCADLP CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364256274 488940644 /nfs/dbraw/zinc/94/06/44/488940644.db2.gz MIJDQZAKMPZOLN-HOCLYGCPSA-N 2 2 374.489 0.390 20 0 FCADLP CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364256274 488940647 /nfs/dbraw/zinc/94/06/47/488940647.db2.gz MIJDQZAKMPZOLN-HOCLYGCPSA-N 2 2 374.489 0.390 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000288062197 488939061 /nfs/dbraw/zinc/93/90/61/488939061.db2.gz SYHZFFHJAMREDE-UHFFFAOYSA-N 2 2 365.478 0.315 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000288062197 488939062 /nfs/dbraw/zinc/93/90/62/488939062.db2.gz SYHZFFHJAMREDE-UHFFFAOYSA-N 2 2 365.478 0.315 20 0 FCADLP CN(C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364289873 488944445 /nfs/dbraw/zinc/94/44/45/488944445.db2.gz KXJGZWSDVOTZER-WMLDXEAASA-N 2 2 363.506 0.560 20 0 FCADLP CN(C(=O)N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364289873 488944448 /nfs/dbraw/zinc/94/44/48/488944448.db2.gz KXJGZWSDVOTZER-WMLDXEAASA-N 2 2 363.506 0.560 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)CCCO1 ZINC000288207116 488956251 /nfs/dbraw/zinc/95/62/51/488956251.db2.gz UDFXPQFGQFILSX-INIZCTEOSA-N 2 2 365.478 0.349 20 0 FCADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCC(=O)N1CCOCC1 ZINC000025359721 487664685 /nfs/dbraw/zinc/66/46/85/487664685.db2.gz BMXWIZXXDQDRLC-UHFFFAOYSA-N 2 2 374.441 0.919 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000279655417 488960079 /nfs/dbraw/zinc/96/00/79/488960079.db2.gz YBPLJRMCIGWFTH-UHFFFAOYSA-N 2 2 366.487 0.287 20 0 FCADLP CCCNC(=O)C1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000042686325 487873926 /nfs/dbraw/zinc/87/39/26/487873926.db2.gz RWCPHBRDOBYFFE-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CC(C)(CNC(=O)CN1CC[NH+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000045767833 487951888 /nfs/dbraw/zinc/95/18/88/487951888.db2.gz ZZOAKCYHOAQSNJ-UHFFFAOYSA-N 2 2 352.523 0.774 20 0 FCADLP CCCC[N@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000045805408 487953838 /nfs/dbraw/zinc/95/38/38/487953838.db2.gz NVYCQLBCKCRLFL-UHFFFAOYSA-N 2 2 368.522 0.725 20 0 FCADLP CCCC[N@@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000045805408 487953841 /nfs/dbraw/zinc/95/38/41/487953841.db2.gz NVYCQLBCKCRLFL-UHFFFAOYSA-N 2 2 368.522 0.725 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000047618285 488039016 /nfs/dbraw/zinc/03/90/16/488039016.db2.gz ZZTYDZGEODZBQO-UHFFFAOYSA-N 2 2 361.490 0.440 20 0 FCADLP COCCN1C[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050799028 488113873 /nfs/dbraw/zinc/11/38/73/488113873.db2.gz YJGKEKNGWBOELU-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(OCC(N)=O)c3)CC2)CC1 ZINC000050799002 488113937 /nfs/dbraw/zinc/11/39/37/488113937.db2.gz JJHCAFONOCFCIL-UHFFFAOYSA-N 2 2 374.485 0.839 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCN3CCOCC3)CC2)CC1 ZINC000051674612 488138399 /nfs/dbraw/zinc/13/83/99/488138399.db2.gz LPNRAKZYNIDKRQ-UHFFFAOYSA-N 2 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[NH+]3CCOCC3)CC2)CC1 ZINC000051674612 488138404 /nfs/dbraw/zinc/13/84/04/488138404.db2.gz LPNRAKZYNIDKRQ-UHFFFAOYSA-N 3 2 353.511 0.176 20 0 FCADLP COCCN(CCOC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758457 488143481 /nfs/dbraw/zinc/14/34/81/488143481.db2.gz IKBJFFOATWKZTK-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000061901967 488298103 /nfs/dbraw/zinc/29/81/03/488298103.db2.gz GXHNKJVXDLHVBX-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000061901967 488298107 /nfs/dbraw/zinc/29/81/07/488298107.db2.gz GXHNKJVXDLHVBX-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000067978850 488359028 /nfs/dbraw/zinc/35/90/28/488359028.db2.gz KNNBTJAVBCKFHI-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000067978850 488359029 /nfs/dbraw/zinc/35/90/29/488359029.db2.gz KNNBTJAVBCKFHI-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073225828 488384106 /nfs/dbraw/zinc/38/41/06/488384106.db2.gz SAOCISCWGDDCFO-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073225828 488384107 /nfs/dbraw/zinc/38/41/07/488384107.db2.gz SAOCISCWGDDCFO-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000073425781 488384553 /nfs/dbraw/zinc/38/45/53/488384553.db2.gz BRCXHSBXCUIYPS-KRWDZBQOSA-N 2 2 355.527 0.282 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000073425781 488384554 /nfs/dbraw/zinc/38/45/54/488384554.db2.gz BRCXHSBXCUIYPS-KRWDZBQOSA-N 2 2 355.527 0.282 20 0 FCADLP CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073483878 488384855 /nfs/dbraw/zinc/38/48/55/488384855.db2.gz OZUWRLFYSOZXLG-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000073589449 488384968 /nfs/dbraw/zinc/38/49/68/488384968.db2.gz KHMFCWMHJWPMEK-QZTJIDSGSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000073589449 488384969 /nfs/dbraw/zinc/38/49/69/488384969.db2.gz KHMFCWMHJWPMEK-QZTJIDSGSA-N 2 2 369.554 0.526 20 0 FCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182697137 488389140 /nfs/dbraw/zinc/38/91/40/488389140.db2.gz BTJFRSVOVBOXDG-HNNXBMFYSA-N 2 2 368.503 0.533 20 0 FCADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146280 488391442 /nfs/dbraw/zinc/39/14/42/488391442.db2.gz OEPXQFORGDWRBE-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146280 488391446 /nfs/dbraw/zinc/39/14/46/488391446.db2.gz OEPXQFORGDWRBE-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074877876 488394478 /nfs/dbraw/zinc/39/44/78/488394478.db2.gz JJFYCEVCCZMPAG-AEFFLSMTSA-N 2 2 351.539 0.996 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877876 488394480 /nfs/dbraw/zinc/39/44/80/488394480.db2.gz JJFYCEVCCZMPAG-AEFFLSMTSA-N 2 2 351.539 0.996 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000185297488 488400274 /nfs/dbraw/zinc/40/02/74/488400274.db2.gz JINVFRAWGYJKQQ-RCCFBDPRSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000185297488 488400275 /nfs/dbraw/zinc/40/02/75/488400275.db2.gz JINVFRAWGYJKQQ-RCCFBDPRSA-N 2 2 370.538 0.830 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000185826079 488403285 /nfs/dbraw/zinc/40/32/85/488403285.db2.gz LOIAFEXITRWDNF-IRXDYDNUSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000185826079 488403290 /nfs/dbraw/zinc/40/32/90/488403290.db2.gz LOIAFEXITRWDNF-IRXDYDNUSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000185815487 488403466 /nfs/dbraw/zinc/40/34/66/488403466.db2.gz REDGZZPOCQSILC-ROUUACIJSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000185815487 488403467 /nfs/dbraw/zinc/40/34/67/488403467.db2.gz REDGZZPOCQSILC-ROUUACIJSA-N 2 2 368.570 0.195 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000076410992 488404020 /nfs/dbraw/zinc/40/40/20/488404020.db2.gz HDTGZPRPZFSZRQ-UHFFFAOYSA-N 2 2 358.486 0.513 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077828045 488418546 /nfs/dbraw/zinc/41/85/46/488418546.db2.gz INUYNOYAHQGZPA-QGZVFWFLSA-N 2 2 356.511 0.755 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000078485058 488422611 /nfs/dbraw/zinc/42/26/11/488422611.db2.gz NURSXXDTTHTNRV-AWEZNQCLSA-N 2 2 351.451 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000079093887 488427315 /nfs/dbraw/zinc/42/73/15/488427315.db2.gz JIDJOIZTJIKACS-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000079093887 488427317 /nfs/dbraw/zinc/42/73/17/488427317.db2.gz JIDJOIZTJIKACS-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP CC1CC[NH+](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000079267995 488429117 /nfs/dbraw/zinc/42/91/17/488429117.db2.gz LQWQHIBEMCSJHV-UHFFFAOYSA-N 2 2 365.522 0.668 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554354514 491197845 /nfs/dbraw/zinc/19/78/45/491197845.db2.gz YRZVWUGONMGHSF-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554354514 491197847 /nfs/dbraw/zinc/19/78/47/491197847.db2.gz YRZVWUGONMGHSF-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080015785 488433050 /nfs/dbraw/zinc/43/30/50/488433050.db2.gz GEMNZHUSULYBOQ-HNNXBMFYSA-N 2 2 358.450 0.183 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959761 488438483 /nfs/dbraw/zinc/43/84/83/488438483.db2.gz ZFAIBYPMLWBSBR-HNNXBMFYSA-N 2 2 371.441 0.770 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959761 488438485 /nfs/dbraw/zinc/43/84/85/488438485.db2.gz ZFAIBYPMLWBSBR-HNNXBMFYSA-N 2 2 371.441 0.770 20 0 FCADLP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000081526590 488442501 /nfs/dbraw/zinc/44/25/01/488442501.db2.gz ZVDRXDJPZONJQQ-HNNXBMFYSA-N 2 2 362.474 0.771 20 0 FCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000081526590 488442502 /nfs/dbraw/zinc/44/25/02/488442502.db2.gz ZVDRXDJPZONJQQ-HNNXBMFYSA-N 2 2 362.474 0.771 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)n1C ZINC000083699835 488447943 /nfs/dbraw/zinc/44/79/43/488447943.db2.gz GJWFIXBHPQCADT-UHFFFAOYSA-N 2 2 373.461 0.717 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000083735940 488448672 /nfs/dbraw/zinc/44/86/72/488448672.db2.gz ZYWYLJLTCIVMAW-MSOLQXFVSA-N 2 2 368.522 0.585 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000083735940 488448673 /nfs/dbraw/zinc/44/86/73/488448673.db2.gz ZYWYLJLTCIVMAW-MSOLQXFVSA-N 2 2 368.522 0.585 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083738437 488449051 /nfs/dbraw/zinc/44/90/51/488449051.db2.gz IIGXKCUVDMPTIW-UHFFFAOYSA-N 2 2 352.483 0.738 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1cccs1 ZINC000237115542 488454274 /nfs/dbraw/zinc/45/42/74/488454274.db2.gz APGOFROQDPFLPT-SUMWQHHRSA-N 2 2 350.488 0.679 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@@H]1c1cccs1 ZINC000237115542 488454275 /nfs/dbraw/zinc/45/42/75/488454275.db2.gz APGOFROQDPFLPT-SUMWQHHRSA-N 2 2 350.488 0.679 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC(C)(C)[NH3+])c2)CC1 ZINC000237139639 488454447 /nfs/dbraw/zinc/45/44/47/488454447.db2.gz AUHLLRXXPCXVJW-UHFFFAOYSA-N 2 2 354.476 0.689 20 0 FCADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237418303 488455537 /nfs/dbraw/zinc/45/55/37/488455537.db2.gz SCADAAHTEQPMBA-CQSZACIVSA-N 2 2 364.877 0.977 20 0 FCADLP C[C@@H]([NH2+]C1(CNC(=O)CN2CC[NH2+]CC2=O)CCOCC1)c1ccccc1 ZINC000237401105 488455631 /nfs/dbraw/zinc/45/56/31/488455631.db2.gz AAAXSOKMCHRMRS-MRXNPFEDSA-N 2 2 374.485 0.434 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268944141 488458464 /nfs/dbraw/zinc/45/84/64/488458464.db2.gz UALFXYAHQGKJLE-BBRMVZONSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268944141 488458465 /nfs/dbraw/zinc/45/84/65/488458465.db2.gz UALFXYAHQGKJLE-BBRMVZONSA-N 2 2 368.503 0.585 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000089926243 488458733 /nfs/dbraw/zinc/45/87/33/488458733.db2.gz BMFLHAANIDKYNR-UHFFFAOYSA-N 2 2 363.462 0.344 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000238170584 488459294 /nfs/dbraw/zinc/45/92/94/488459294.db2.gz PNVZCWAFRDQYSN-UHFFFAOYSA-N 2 2 360.458 0.261 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C2)CC1 ZINC000245944829 488467296 /nfs/dbraw/zinc/46/72/96/488467296.db2.gz WGZRHUCCJHAYBB-QRVBRYPASA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C2)CC1 ZINC000245944829 488467298 /nfs/dbraw/zinc/46/72/98/488467298.db2.gz WGZRHUCCJHAYBB-QRVBRYPASA-N 2 2 364.534 0.868 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246037122 488468952 /nfs/dbraw/zinc/46/89/52/488468952.db2.gz NBFXBUXQHQCWON-RHSMWYFYSA-N 2 2 367.515 0.907 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246037122 488468955 /nfs/dbraw/zinc/46/89/55/488468955.db2.gz NBFXBUXQHQCWON-RHSMWYFYSA-N 2 2 367.515 0.907 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000246218941 488470813 /nfs/dbraw/zinc/47/08/13/488470813.db2.gz ZGOKKZHHGHKFDM-IKGGRYGDSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000246218941 488470815 /nfs/dbraw/zinc/47/08/15/488470815.db2.gz ZGOKKZHHGHKFDM-IKGGRYGDSA-N 2 2 356.511 0.441 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246543709 488473637 /nfs/dbraw/zinc/47/36/37/488473637.db2.gz YGVVVISJOPQZNT-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246543709 488473639 /nfs/dbraw/zinc/47/36/39/488473639.db2.gz YGVVVISJOPQZNT-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000246730097 488475168 /nfs/dbraw/zinc/47/51/68/488475168.db2.gz GDKJQNCMBLZVFI-HZPDHXFCSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000246730097 488475170 /nfs/dbraw/zinc/47/51/70/488475170.db2.gz GDKJQNCMBLZVFI-HZPDHXFCSA-N 2 2 374.551 0.621 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000093125035 488478354 /nfs/dbraw/zinc/47/83/54/488478354.db2.gz XEJOIGOEEYYVML-GOSISDBHSA-N 2 2 360.506 0.843 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000093125035 488478357 /nfs/dbraw/zinc/47/83/57/488478357.db2.gz XEJOIGOEEYYVML-GOSISDBHSA-N 2 2 360.506 0.843 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000247932229 488491672 /nfs/dbraw/zinc/49/16/72/488491672.db2.gz CDKFSXFGZOOTSV-AEFFLSMTSA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000247932229 488491674 /nfs/dbraw/zinc/49/16/74/488491674.db2.gz CDKFSXFGZOOTSV-AEFFLSMTSA-N 2 2 365.449 0.804 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000248602843 488498985 /nfs/dbraw/zinc/49/89/85/488498985.db2.gz JINVFRAWGYJKQQ-FGTMMUONSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000248602843 488498988 /nfs/dbraw/zinc/49/89/88/488498988.db2.gz JINVFRAWGYJKQQ-FGTMMUONSA-N 2 2 370.538 0.830 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000103150724 488499608 /nfs/dbraw/zinc/49/96/08/488499608.db2.gz QGQAZUMDBFNIGF-QGZVFWFLSA-N 2 2 365.449 0.805 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000248889617 488504204 /nfs/dbraw/zinc/50/42/04/488504204.db2.gz APUNELKXPNELDJ-RTBURBONSA-N 2 2 363.502 0.765 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000248889617 488504205 /nfs/dbraw/zinc/50/42/05/488504205.db2.gz APUNELKXPNELDJ-RTBURBONSA-N 2 2 363.502 0.765 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104800943 488505707 /nfs/dbraw/zinc/50/57/07/488505707.db2.gz YFJZXFAVVZXXSL-MRXNPFEDSA-N 2 2 374.489 0.501 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000104800943 488505710 /nfs/dbraw/zinc/50/57/10/488505710.db2.gz YFJZXFAVVZXXSL-MRXNPFEDSA-N 2 2 374.489 0.501 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105130323 488507848 /nfs/dbraw/zinc/50/78/48/488507848.db2.gz JSCFFDINVQDUHC-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105130323 488507850 /nfs/dbraw/zinc/50/78/50/488507850.db2.gz JSCFFDINVQDUHC-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105130323 488507852 /nfs/dbraw/zinc/50/78/52/488507852.db2.gz JSCFFDINVQDUHC-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105130323 488507854 /nfs/dbraw/zinc/50/78/54/488507854.db2.gz JSCFFDINVQDUHC-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000554462796 491204113 /nfs/dbraw/zinc/20/41/13/491204113.db2.gz PZMIDYBHCSAJFN-UHFFFAOYSA-N 2 2 371.445 0.612 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000108559800 488519211 /nfs/dbraw/zinc/51/92/11/488519211.db2.gz WTHALAFMUFXAAJ-MRXNPFEDSA-N 2 2 361.494 0.240 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000108559800 488519212 /nfs/dbraw/zinc/51/92/12/488519212.db2.gz WTHALAFMUFXAAJ-MRXNPFEDSA-N 2 2 361.494 0.240 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000253556583 488521510 /nfs/dbraw/zinc/52/15/10/488521510.db2.gz RUYSKLCWOVMSOO-RYUDHWBXSA-N 2 2 360.418 0.513 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000253556583 488521511 /nfs/dbraw/zinc/52/15/11/488521511.db2.gz RUYSKLCWOVMSOO-RYUDHWBXSA-N 2 2 360.418 0.513 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705314 488531918 /nfs/dbraw/zinc/53/19/18/488531918.db2.gz PDMOJMBVGNFVLD-NWDGAFQWSA-N 2 2 350.385 0.245 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705314 488531920 /nfs/dbraw/zinc/53/19/20/488531920.db2.gz PDMOJMBVGNFVLD-NWDGAFQWSA-N 2 2 350.385 0.245 20 0 FCADLP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261736162 488533731 /nfs/dbraw/zinc/53/37/31/488533731.db2.gz KCIATWNFYNSFRV-LJQANCHMSA-N 2 2 372.513 0.950 20 0 FCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000261765654 488535145 /nfs/dbraw/zinc/53/51/45/488535145.db2.gz GEDXQVRICPEATE-CYBMUJFWSA-N 2 2 368.363 0.833 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])C3CCOCC3)cc2)CC1 ZINC000261820380 488537064 /nfs/dbraw/zinc/53/70/64/488537064.db2.gz PHDPDMVNEZSEFZ-QGZVFWFLSA-N 2 2 360.458 0.767 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)Cc1ccccc1 ZINC000112921481 488537105 /nfs/dbraw/zinc/53/71/05/488537105.db2.gz QCSKWGPAJLYHLH-UHFFFAOYSA-N 2 2 360.502 0.830 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)Cc1ccccc1 ZINC000112921481 488537107 /nfs/dbraw/zinc/53/71/07/488537107.db2.gz QCSKWGPAJLYHLH-UHFFFAOYSA-N 2 2 360.502 0.830 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261829649 488537397 /nfs/dbraw/zinc/53/73/97/488537397.db2.gz JGSPGNOJOJFNTL-IAGOWNOFSA-N 2 2 350.507 0.921 20 0 FCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676366 488537447 /nfs/dbraw/zinc/53/74/47/488537447.db2.gz IUXVVCZDUWZODD-DOMZBBRYSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(S(N)(=O)=O)cc1 ZINC000271676366 488537449 /nfs/dbraw/zinc/53/74/49/488537449.db2.gz IUXVVCZDUWZODD-DOMZBBRYSA-N 2 2 354.476 0.324 20 0 FCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000113514941 488538322 /nfs/dbraw/zinc/53/83/22/488538322.db2.gz YFNXQWAYJSXVNT-CQSZACIVSA-N 2 2 350.438 0.918 20 0 FCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000113514941 488538324 /nfs/dbraw/zinc/53/83/24/488538324.db2.gz YFNXQWAYJSXVNT-CQSZACIVSA-N 2 2 350.438 0.918 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261856938 488538997 /nfs/dbraw/zinc/53/89/97/488538997.db2.gz RZDVNEZKPKCKPN-FQEVSTJZSA-N 3 2 360.502 0.806 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261856938 488538999 /nfs/dbraw/zinc/53/89/99/488538999.db2.gz RZDVNEZKPKCKPN-FQEVSTJZSA-N 3 2 360.502 0.806 20 0 FCADLP C[C@@]1(C[NH3+])CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261856938 488539001 /nfs/dbraw/zinc/53/90/01/488539001.db2.gz RZDVNEZKPKCKPN-FQEVSTJZSA-N 2 2 360.502 0.806 20 0 FCADLP COc1ccc([C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c2[nH+]ccn2C)cc1 ZINC000262057590 488548354 /nfs/dbraw/zinc/54/83/54/488548354.db2.gz IVRUBLDIRZPBPR-DLBZAZTESA-N 2 2 373.457 0.734 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000262071315 488548973 /nfs/dbraw/zinc/54/89/73/488548973.db2.gz BQMUBPRMHPOOII-KDOFPFPSSA-N 2 2 360.458 0.319 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000119208025 488555898 /nfs/dbraw/zinc/55/58/98/488555898.db2.gz GDMVREAEVBUQFI-QGZVFWFLSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000119208025 488555899 /nfs/dbraw/zinc/55/58/99/488555899.db2.gz GDMVREAEVBUQFI-QGZVFWFLSA-N 2 2 370.538 0.833 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000120120676 488560328 /nfs/dbraw/zinc/56/03/28/488560328.db2.gz ZZJAVIGBICUSML-PBHICJAKSA-N 2 2 370.519 0.733 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cnn(C)c1 ZINC000262308073 488563127 /nfs/dbraw/zinc/56/31/27/488563127.db2.gz CMJZYLHHMIWJSA-SFHVURJKSA-N 2 2 357.458 0.829 20 0 FCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000262330085 488564190 /nfs/dbraw/zinc/56/41/90/488564190.db2.gz RMVBASUXAUBOKD-CQSZACIVSA-N 2 2 367.446 0.330 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1cccc(F)c1 ZINC000262338040 488564595 /nfs/dbraw/zinc/56/45/95/488564595.db2.gz FISACRRFYKEOSQ-HNNXBMFYSA-N 2 2 371.478 0.711 20 0 FCADLP C[NH2+][C@@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262398335 488568586 /nfs/dbraw/zinc/56/85/86/488568586.db2.gz PENOPGODWMQDTI-LJQANCHMSA-N 2 2 370.501 0.615 20 0 FCADLP C[NH2+][C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1cnn(C)c1 ZINC000262463676 488571471 /nfs/dbraw/zinc/57/14/71/488571471.db2.gz XNYRFFFXKZTGOB-GDBMZVCRSA-N 2 2 353.492 0.005 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(C)c1 ZINC000262594834 488579552 /nfs/dbraw/zinc/57/95/52/488579552.db2.gz WWEPKVMFYAZDLB-GOSISDBHSA-N 2 2 357.458 0.829 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000122591853 488579624 /nfs/dbraw/zinc/57/96/24/488579624.db2.gz ATQULQGXHBTZLI-HOTGVXAUSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000122591853 488579625 /nfs/dbraw/zinc/57/96/25/488579625.db2.gz ATQULQGXHBTZLI-HOTGVXAUSA-N 2 2 351.495 0.419 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000123182918 488583487 /nfs/dbraw/zinc/58/34/87/488583487.db2.gz WVDSFKFAHXADSO-UHFFFAOYSA-N 2 2 369.473 0.888 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC3(CCC3)C2)CC1 ZINC000123182918 488583489 /nfs/dbraw/zinc/58/34/89/488583489.db2.gz WVDSFKFAHXADSO-UHFFFAOYSA-N 2 2 369.473 0.888 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262702087 488586944 /nfs/dbraw/zinc/58/69/44/488586944.db2.gz CKYBGYMFMSTIDB-INIZCTEOSA-N 2 2 370.457 0.969 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272662578 488596341 /nfs/dbraw/zinc/59/63/41/488596341.db2.gz IISFTTOHVAQMGX-AWEZNQCLSA-N 2 2 361.402 0.259 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272662578 488596343 /nfs/dbraw/zinc/59/63/43/488596343.db2.gz IISFTTOHVAQMGX-AWEZNQCLSA-N 2 2 361.402 0.259 20 0 FCADLP O=C(CCC1CC[NH2+]CC1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000263282414 488608775 /nfs/dbraw/zinc/60/87/75/488608775.db2.gz UMVJTDNBCGCUOS-UHFFFAOYSA-N 2 2 350.507 0.827 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000126383332 488609198 /nfs/dbraw/zinc/60/91/98/488609198.db2.gz HPLMMTVAHDAJDV-INIZCTEOSA-N 2 2 351.495 0.989 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263294140 488609261 /nfs/dbraw/zinc/60/92/61/488609261.db2.gz XMGCSQCVRMYWJL-BBWFWOEESA-N 2 2 358.490 0.636 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263297862 488609393 /nfs/dbraw/zinc/60/93/93/488609393.db2.gz WQLPCATXNRBFRR-GJYPPUQNSA-N 2 2 366.506 0.286 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1CCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000127162485 488614609 /nfs/dbraw/zinc/61/46/09/488614609.db2.gz NNPFERQCTPIQRA-CQSZACIVSA-N 2 2 356.517 0.629 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000263847811 488630812 /nfs/dbraw/zinc/63/08/12/488630812.db2.gz XPFRSSFYIPGJCK-UHFFFAOYSA-N 2 2 369.469 0.889 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131431636 488646327 /nfs/dbraw/zinc/64/63/27/488646327.db2.gz JDCSKMNCVJNBPI-RHSMWYFYSA-N 2 2 350.488 0.770 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000264189723 488653511 /nfs/dbraw/zinc/65/35/11/488653511.db2.gz FDOQRKCHLYVEDN-PMPSAXMXSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000264189723 488653513 /nfs/dbraw/zinc/65/35/13/488653513.db2.gz FDOQRKCHLYVEDN-PMPSAXMXSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133109724 488657917 /nfs/dbraw/zinc/65/79/17/488657917.db2.gz JTQWAOZTAHHZSL-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133109724 488657920 /nfs/dbraw/zinc/65/79/20/488657920.db2.gz JTQWAOZTAHHZSL-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570093003 491216119 /nfs/dbraw/zinc/21/61/19/491216119.db2.gz DYSNLTZOZLCOFZ-WMZOPIPTSA-N 2 2 374.485 0.277 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570093003 491216121 /nfs/dbraw/zinc/21/61/21/491216121.db2.gz DYSNLTZOZLCOFZ-WMZOPIPTSA-N 2 2 374.485 0.277 20 0 FCADLP CC[C@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000134588300 488668080 /nfs/dbraw/zinc/66/80/80/488668080.db2.gz XMSJFAWBKBUNJL-LJQANCHMSA-N 2 2 359.474 0.769 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](NC(=O)NC4CC4)C3)cn2)CC1 ZINC000273718736 488668623 /nfs/dbraw/zinc/66/86/23/488668623.db2.gz HTHUFCICUDSFEG-MRXNPFEDSA-N 2 2 359.478 0.264 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](NC(=O)NC4CC4)C3)cn2)CC1 ZINC000273718736 488668624 /nfs/dbraw/zinc/66/86/24/488668624.db2.gz HTHUFCICUDSFEG-MRXNPFEDSA-N 2 2 359.478 0.264 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)ccn2)CC1 ZINC000135967046 488675965 /nfs/dbraw/zinc/67/59/65/488675965.db2.gz UESFCEBSZCUNQY-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000137093854 488679590 /nfs/dbraw/zinc/67/95/90/488679590.db2.gz XGZBEVCWEPDPDA-UHFFFAOYSA-N 2 2 364.494 0.905 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCOCC1 ZINC000151211347 488702914 /nfs/dbraw/zinc/70/29/14/488702914.db2.gz VCNHPOPHHGVNIW-INIZCTEOSA-N 2 2 356.511 0.441 20 0 FCADLP C[NH+](CCn1cccn1)CCS(=O)(=O)CC[N@H+](C)CCn1cccn1 ZINC000264723598 488703195 /nfs/dbraw/zinc/70/31/95/488703195.db2.gz NXATXSHPVUVZNY-UHFFFAOYSA-N 2 2 368.507 0.058 20 0 FCADLP C[NH+](CCn1cccn1)CCS(=O)(=O)CC[N@@H+](C)CCn1cccn1 ZINC000264723598 488703197 /nfs/dbraw/zinc/70/31/97/488703197.db2.gz NXATXSHPVUVZNY-UHFFFAOYSA-N 2 2 368.507 0.058 20 0 FCADLP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000570118698 491218052 /nfs/dbraw/zinc/21/80/52/491218052.db2.gz CZLZGPHVGGYAHB-CVEARBPZSA-N 2 2 356.511 0.848 20 0 FCADLP COC(C[N@H+](CCCO)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)OC ZINC000274681545 488727316 /nfs/dbraw/zinc/72/73/16/488727316.db2.gz XBSPVORUFDBRSH-KRWDZBQOSA-N 2 2 367.490 0.709 20 0 FCADLP COC(C[N@@H+](CCCO)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)OC ZINC000274681545 488727319 /nfs/dbraw/zinc/72/73/19/488727319.db2.gz XBSPVORUFDBRSH-KRWDZBQOSA-N 2 2 367.490 0.709 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000153755671 488734663 /nfs/dbraw/zinc/73/46/63/488734663.db2.gz ZTFJEDVYXRUOFE-HNNXBMFYSA-N 2 2 356.536 0.436 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000153755671 488734665 /nfs/dbraw/zinc/73/46/65/488734665.db2.gz ZTFJEDVYXRUOFE-HNNXBMFYSA-N 2 2 356.536 0.436 20 0 FCADLP C[C@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798464 488735480 /nfs/dbraw/zinc/73/54/80/488735480.db2.gz RFYCWLMTBANJCU-CRAIPNDOSA-N 2 2 363.527 0.959 20 0 FCADLP C[C@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798464 488735481 /nfs/dbraw/zinc/73/54/81/488735481.db2.gz RFYCWLMTBANJCU-CRAIPNDOSA-N 2 2 363.527 0.959 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000266891470 488741084 /nfs/dbraw/zinc/74/10/84/488741084.db2.gz FMOYHGHCOXCFBX-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP CSC[C@@H](CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000154330003 488741264 /nfs/dbraw/zinc/74/12/64/488741264.db2.gz LLNHODITBQUHBO-OAHLLOKOSA-N 2 2 358.552 0.958 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266904418 488741849 /nfs/dbraw/zinc/74/18/49/488741849.db2.gz HKFCYURFLBRUMT-HNNXBMFYSA-N 2 2 370.457 0.957 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000155093821 488751095 /nfs/dbraw/zinc/75/10/95/488751095.db2.gz RGUJERMFZJHQBV-IXDOHACOSA-N 2 2 354.495 0.458 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000155093821 488751097 /nfs/dbraw/zinc/75/10/97/488751097.db2.gz RGUJERMFZJHQBV-IXDOHACOSA-N 2 2 354.495 0.458 20 0 FCADLP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000155828745 488759626 /nfs/dbraw/zinc/75/96/26/488759626.db2.gz PHWZEJBTMCIAJZ-IKGGRYGDSA-N 2 2 356.511 0.753 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000155874033 488760338 /nfs/dbraw/zinc/76/03/38/488760338.db2.gz PCDDGTWHZXEDPE-GJZGRUSLSA-N 2 2 366.487 0.638 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000155874033 488760342 /nfs/dbraw/zinc/76/03/42/488760342.db2.gz PCDDGTWHZXEDPE-GJZGRUSLSA-N 2 2 366.487 0.638 20 0 FCADLP Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000275131580 488764720 /nfs/dbraw/zinc/76/47/20/488764720.db2.gz BWIHGJJYNMKLPB-GOSISDBHSA-N 2 2 373.457 0.514 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000275132113 488764788 /nfs/dbraw/zinc/76/47/88/488764788.db2.gz RZTLDGHJCKNYKK-HNNXBMFYSA-N 2 2 363.462 0.126 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000156529868 488765695 /nfs/dbraw/zinc/76/56/95/488765695.db2.gz ACBCLWWOKHOUCS-QGZVFWFLSA-N 2 2 367.538 0.959 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000156529868 488765698 /nfs/dbraw/zinc/76/56/98/488765698.db2.gz ACBCLWWOKHOUCS-QGZVFWFLSA-N 2 2 367.538 0.959 20 0 FCADLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000157517034 488772006 /nfs/dbraw/zinc/77/20/06/488772006.db2.gz DMQSZSCINDVOED-UHFFFAOYSA-N 2 2 362.474 0.980 20 0 FCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000157517034 488772008 /nfs/dbraw/zinc/77/20/08/488772008.db2.gz DMQSZSCINDVOED-UHFFFAOYSA-N 2 2 362.474 0.980 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000157848299 488774344 /nfs/dbraw/zinc/77/43/44/488774344.db2.gz DNGOEGKTTWQNKT-OALUTQOASA-N 2 2 372.513 0.818 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000157848299 488774345 /nfs/dbraw/zinc/77/43/45/488774345.db2.gz DNGOEGKTTWQNKT-OALUTQOASA-N 2 2 372.513 0.818 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005512 488782256 /nfs/dbraw/zinc/78/22/56/488782256.db2.gz IHHYOMYOTNGVDZ-SJORKVTESA-N 2 2 374.485 0.980 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005512 488782257 /nfs/dbraw/zinc/78/22/57/488782257.db2.gz IHHYOMYOTNGVDZ-SJORKVTESA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005512 488782258 /nfs/dbraw/zinc/78/22/58/488782258.db2.gz IHHYOMYOTNGVDZ-SJORKVTESA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@@H]21 ZINC000159005512 488782259 /nfs/dbraw/zinc/78/22/59/488782259.db2.gz IHHYOMYOTNGVDZ-SJORKVTESA-N 2 2 374.485 0.980 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)[nH+]c1 ZINC000267518066 488793511 /nfs/dbraw/zinc/79/35/11/488793511.db2.gz OLWLAMYKRXLPFA-UHFFFAOYSA-N 2 2 362.478 0.783 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000162371205 488802285 /nfs/dbraw/zinc/80/22/85/488802285.db2.gz GUORRLOWKXRGKR-CQSZACIVSA-N 2 2 353.854 0.241 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000162371205 488802287 /nfs/dbraw/zinc/80/22/87/488802287.db2.gz GUORRLOWKXRGKR-CQSZACIVSA-N 2 2 353.854 0.241 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000162679708 488804430 /nfs/dbraw/zinc/80/44/30/488804430.db2.gz DMRXJLLLLBKMBD-LJQANCHMSA-N 3 2 359.518 0.932 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000162679708 488804432 /nfs/dbraw/zinc/80/44/32/488804432.db2.gz DMRXJLLLLBKMBD-LJQANCHMSA-N 3 2 359.518 0.932 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000554741512 491222591 /nfs/dbraw/zinc/22/25/91/491222591.db2.gz OOKBVNAJWQEMNJ-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000554741512 491222594 /nfs/dbraw/zinc/22/25/94/491222594.db2.gz OOKBVNAJWQEMNJ-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000563152508 491222837 /nfs/dbraw/zinc/22/28/37/491222837.db2.gz BFHARILSHJRLOQ-RBZJEDDUSA-N 2 2 357.520 0.470 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000563152508 491222839 /nfs/dbraw/zinc/22/28/39/491222839.db2.gz BFHARILSHJRLOQ-RBZJEDDUSA-N 2 2 357.520 0.470 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000166185944 488811439 /nfs/dbraw/zinc/81/14/39/488811439.db2.gz HFASCUIDKAQLMX-MRXNPFEDSA-N 2 2 360.458 0.687 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000166186857 488811523 /nfs/dbraw/zinc/81/15/23/488811523.db2.gz ZRQLZALXOIEOCZ-KRWDZBQOSA-N 2 2 360.458 0.829 20 0 FCADLP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000170698431 488815406 /nfs/dbraw/zinc/81/54/06/488815406.db2.gz HKYGFYCUJKXPHX-UHFFFAOYSA-N 2 2 361.490 0.970 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171004793 488818854 /nfs/dbraw/zinc/81/88/54/488818854.db2.gz LXUQXHUBTUESRA-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171004793 488818855 /nfs/dbraw/zinc/81/88/55/488818855.db2.gz LXUQXHUBTUESRA-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000171004793 488818857 /nfs/dbraw/zinc/81/88/57/488818857.db2.gz LXUQXHUBTUESRA-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000171004793 488818858 /nfs/dbraw/zinc/81/88/58/488818858.db2.gz LXUQXHUBTUESRA-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC000171006446 488819059 /nfs/dbraw/zinc/81/90/59/488819059.db2.gz PBVXMWCCYOXVDH-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC000171006446 488819061 /nfs/dbraw/zinc/81/90/61/488819061.db2.gz PBVXMWCCYOXVDH-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000171006767 488819071 /nfs/dbraw/zinc/81/90/71/488819071.db2.gz VIRJCVAUASUPJY-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000171006767 488819073 /nfs/dbraw/zinc/81/90/73/488819073.db2.gz VIRJCVAUASUPJY-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000171006767 488819075 /nfs/dbraw/zinc/81/90/75/488819075.db2.gz VIRJCVAUASUPJY-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000171006767 488819076 /nfs/dbraw/zinc/81/90/76/488819076.db2.gz VIRJCVAUASUPJY-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCOCC1 ZINC000171098924 488819674 /nfs/dbraw/zinc/81/96/74/488819674.db2.gz GZCNQVULQKYJBT-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCOCC1 ZINC000171098924 488819675 /nfs/dbraw/zinc/81/96/75/488819675.db2.gz GZCNQVULQKYJBT-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574048 488823905 /nfs/dbraw/zinc/82/39/05/488823905.db2.gz XGDQFBRSEKVCEY-HUUCEWRRSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574048 488823907 /nfs/dbraw/zinc/82/39/07/488823907.db2.gz XGDQFBRSEKVCEY-HUUCEWRRSA-N 2 2 364.515 0.978 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000171898722 488828532 /nfs/dbraw/zinc/82/85/32/488828532.db2.gz DMHZHXSCJMTVQS-KRWDZBQOSA-N 2 2 356.511 0.707 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000171898722 488828534 /nfs/dbraw/zinc/82/85/34/488828534.db2.gz DMHZHXSCJMTVQS-KRWDZBQOSA-N 2 2 356.511 0.707 20 0 FCADLP CCn1cc[nH+]c1CN(CC(=O)NCCCOC)[C@H]1CC12CC[NH2+]CC2 ZINC000563155802 491223488 /nfs/dbraw/zinc/22/34/88/491223488.db2.gz LFCZDIQWWPJXLJ-INIZCTEOSA-N 2 2 363.506 1.000 20 0 FCADLP O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000172305294 488832523 /nfs/dbraw/zinc/83/25/23/488832523.db2.gz PDRPGSFKNUXXDT-UHFFFAOYSA-N 2 2 360.458 0.669 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2C1 ZINC000173230156 488841856 /nfs/dbraw/zinc/84/18/56/488841856.db2.gz SJOXYNBXULKZFT-OAHLLOKOSA-N 2 2 372.469 0.751 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2C1 ZINC000173230156 488841857 /nfs/dbraw/zinc/84/18/57/488841857.db2.gz SJOXYNBXULKZFT-OAHLLOKOSA-N 2 2 372.469 0.751 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000173367740 488842348 /nfs/dbraw/zinc/84/23/48/488842348.db2.gz NBZOJASDHVUMDZ-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000173662892 488844321 /nfs/dbraw/zinc/84/43/21/488844321.db2.gz VVSYWPKIVZVUFP-KZNAEPCWSA-N 2 2 368.522 0.992 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000173905683 488846300 /nfs/dbraw/zinc/84/63/00/488846300.db2.gz ZDAIFNFBPJHGMY-HUUCEWRRSA-N 2 2 360.524 0.231 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000173905683 488846301 /nfs/dbraw/zinc/84/63/01/488846301.db2.gz ZDAIFNFBPJHGMY-HUUCEWRRSA-N 2 2 360.524 0.231 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174197601 488847930 /nfs/dbraw/zinc/84/79/30/488847930.db2.gz OHVGWQMFSJFFKK-SFHVURJKSA-N 2 2 373.501 0.384 20 0 FCADLP C[C@](O)(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481927 488849323 /nfs/dbraw/zinc/84/93/23/488849323.db2.gz LQDQMSLMXSFEDP-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@](O)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481927 488849324 /nfs/dbraw/zinc/84/93/24/488849324.db2.gz LQDQMSLMXSFEDP-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@](O)(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481942 488849356 /nfs/dbraw/zinc/84/93/56/488849356.db2.gz LQDQMSLMXSFEDP-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@](O)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481942 488849357 /nfs/dbraw/zinc/84/93/57/488849357.db2.gz LQDQMSLMXSFEDP-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000174546919 488849850 /nfs/dbraw/zinc/84/98/50/488849850.db2.gz FCEBBIBITDJTLX-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000174546919 488849851 /nfs/dbraw/zinc/84/98/51/488849851.db2.gz FCEBBIBITDJTLX-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000174546919 488849852 /nfs/dbraw/zinc/84/98/52/488849852.db2.gz FCEBBIBITDJTLX-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000174546919 488849853 /nfs/dbraw/zinc/84/98/53/488849853.db2.gz FCEBBIBITDJTLX-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175700514 488854991 /nfs/dbraw/zinc/85/49/91/488854991.db2.gz FQYGSSVNDZKTSX-MRXNPFEDSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897793 488856338 /nfs/dbraw/zinc/85/63/38/488856338.db2.gz ZWWJSPODHIFVJH-KBAYOESNSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897793 488856339 /nfs/dbraw/zinc/85/63/39/488856339.db2.gz ZWWJSPODHIFVJH-KBAYOESNSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897793 488856340 /nfs/dbraw/zinc/85/63/40/488856340.db2.gz ZWWJSPODHIFVJH-KBAYOESNSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897793 488856341 /nfs/dbraw/zinc/85/63/41/488856341.db2.gz ZWWJSPODHIFVJH-KBAYOESNSA-N 2 2 371.485 0.475 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000176047332 488857137 /nfs/dbraw/zinc/85/71/37/488857137.db2.gz GMLUXBGXHDZZPD-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000176480555 488858411 /nfs/dbraw/zinc/85/84/11/488858411.db2.gz YPZLAQFJRCJEKH-LJQANCHMSA-N 2 2 360.458 0.798 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000176598408 488858439 /nfs/dbraw/zinc/85/84/39/488858439.db2.gz WECKHFGXKPKJIW-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381125 488859380 /nfs/dbraw/zinc/85/93/80/488859380.db2.gz OUHUOJAYYYEUON-HNNXBMFYSA-N 2 2 355.527 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381125 488859381 /nfs/dbraw/zinc/85/93/81/488859381.db2.gz OUHUOJAYYYEUON-HNNXBMFYSA-N 2 2 355.527 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177381125 488859382 /nfs/dbraw/zinc/85/93/82/488859382.db2.gz OUHUOJAYYYEUON-HNNXBMFYSA-N 2 2 355.527 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177381125 488859383 /nfs/dbraw/zinc/85/93/83/488859383.db2.gz OUHUOJAYYYEUON-HNNXBMFYSA-N 2 2 355.527 0.815 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177378238 488859487 /nfs/dbraw/zinc/85/94/87/488859487.db2.gz YKNVQIQWRQADGH-INIZCTEOSA-N 2 2 367.538 0.023 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177378238 488859488 /nfs/dbraw/zinc/85/94/88/488859488.db2.gz YKNVQIQWRQADGH-INIZCTEOSA-N 2 2 367.538 0.023 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000177378238 488859489 /nfs/dbraw/zinc/85/94/89/488859489.db2.gz YKNVQIQWRQADGH-INIZCTEOSA-N 2 2 367.538 0.023 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000177378238 488859490 /nfs/dbraw/zinc/85/94/90/488859490.db2.gz YKNVQIQWRQADGH-INIZCTEOSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)CCC(F)(F)F ZINC000554776497 491224773 /nfs/dbraw/zinc/22/47/73/491224773.db2.gz ZJJDGKCUKIRGAV-UHFFFAOYSA-N 2 2 363.384 0.769 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)CCC(F)(F)F ZINC000554776497 491224775 /nfs/dbraw/zinc/22/47/75/491224775.db2.gz ZJJDGKCUKIRGAV-UHFFFAOYSA-N 2 2 363.384 0.769 20 0 FCADLP CCc1[nH+]ccn1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000179182869 488860774 /nfs/dbraw/zinc/86/07/74/488860774.db2.gz LRRLTGBAJWEZEP-UHFFFAOYSA-N 2 2 354.418 0.471 20 0 FCADLP CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179673850 488861626 /nfs/dbraw/zinc/86/16/26/488861626.db2.gz IAEJFMGCWHRPQA-MRXNPFEDSA-N 2 2 361.490 0.823 20 0 FCADLP CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179673850 488861627 /nfs/dbraw/zinc/86/16/27/488861627.db2.gz IAEJFMGCWHRPQA-MRXNPFEDSA-N 2 2 361.490 0.823 20 0 FCADLP CN(C(=O)C[C@H]1CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329150359 488974535 /nfs/dbraw/zinc/97/45/35/488974535.db2.gz RMIUXTLDFSTLQP-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000329172151 488976801 /nfs/dbraw/zinc/97/68/01/488976801.db2.gz KXVUJGLIZDCGNB-SYMSYNOKSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000329172151 488976805 /nfs/dbraw/zinc/97/68/05/488976805.db2.gz KXVUJGLIZDCGNB-SYMSYNOKSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COCC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000329172151 488976809 /nfs/dbraw/zinc/97/68/09/488976809.db2.gz KXVUJGLIZDCGNB-SYMSYNOKSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COCC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000329172151 488976812 /nfs/dbraw/zinc/97/68/12/488976812.db2.gz KXVUJGLIZDCGNB-SYMSYNOKSA-N 2 2 354.495 0.105 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329243028 488984602 /nfs/dbraw/zinc/98/46/02/488984602.db2.gz SPEFDZBOJPDUCW-MRXNPFEDSA-N 2 2 373.461 1.108 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H](C)[N@H+]1C ZINC000329715508 489029853 /nfs/dbraw/zinc/02/98/53/489029853.db2.gz VBRHPGQZCKFCMT-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1C ZINC000329715508 489029858 /nfs/dbraw/zinc/02/98/58/489029858.db2.gz VBRHPGQZCKFCMT-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000365151958 489043719 /nfs/dbraw/zinc/04/37/19/489043719.db2.gz VHFNOCQHOUOIQS-IRXDYDNUSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000365327476 489064411 /nfs/dbraw/zinc/06/44/11/489064411.db2.gz OUEAZKVJEKXLGQ-KSZLIROESA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000570308297 491232511 /nfs/dbraw/zinc/23/25/11/491232511.db2.gz YKEZBLWOFCUFSU-HOTGVXAUSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)C2 ZINC000563260046 491233134 /nfs/dbraw/zinc/23/31/34/491233134.db2.gz OGZXSTQVWNFQKA-KBPBESRZSA-N 2 2 352.504 0.595 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C2 ZINC000563260046 491233137 /nfs/dbraw/zinc/23/31/37/491233137.db2.gz OGZXSTQVWNFQKA-KBPBESRZSA-N 2 2 352.504 0.595 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1(C)C ZINC000281888142 489114694 /nfs/dbraw/zinc/11/46/94/489114694.db2.gz GUOSPUWWNYGKKH-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1(C)C ZINC000281888142 489114698 /nfs/dbraw/zinc/11/46/98/489114698.db2.gz GUOSPUWWNYGKKH-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000281924976 489117286 /nfs/dbraw/zinc/11/72/86/489117286.db2.gz CYUKNWDGFHYWLQ-ZFWWWQNUSA-N 2 2 357.462 0.790 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000563269567 491234193 /nfs/dbraw/zinc/23/41/93/491234193.db2.gz VUDOBZFDXWFPNM-HUUCEWRRSA-N 2 2 365.503 0.740 20 0 FCADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000290292188 489128674 /nfs/dbraw/zinc/12/86/74/489128674.db2.gz HCODAVNMTHCYHV-QWHCGFSZSA-N 2 2 354.476 0.219 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290346329 489132469 /nfs/dbraw/zinc/13/24/69/489132469.db2.gz FTAARPYKXRCBOK-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562734 489149511 /nfs/dbraw/zinc/14/95/11/489149511.db2.gz PKHVSHPLQPAPIM-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562734 489149515 /nfs/dbraw/zinc/14/95/15/489149515.db2.gz PKHVSHPLQPAPIM-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000290608713 489152649 /nfs/dbraw/zinc/15/26/49/489152649.db2.gz RQYXZQGECSULIW-OAGGEKHMSA-N 2 2 357.458 0.329 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000290608713 489152650 /nfs/dbraw/zinc/15/26/50/489152650.db2.gz RQYXZQGECSULIW-OAGGEKHMSA-N 2 2 357.458 0.329 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H]1CCNC1=O ZINC000282406019 489160967 /nfs/dbraw/zinc/16/09/67/489160967.db2.gz PYNGVGWWYLZKPB-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H]1CCNC1=O ZINC000282406019 489160970 /nfs/dbraw/zinc/16/09/70/489160970.db2.gz PYNGVGWWYLZKPB-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729900 489161097 /nfs/dbraw/zinc/16/10/97/489161097.db2.gz YFOXTWVOCJJZOQ-YESZJQIVSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729900 489161099 /nfs/dbraw/zinc/16/10/99/489161099.db2.gz YFOXTWVOCJJZOQ-YESZJQIVSA-N 2 2 371.485 0.719 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366267553 489164524 /nfs/dbraw/zinc/16/45/24/489164524.db2.gz PVMHVHPDLADAOC-IAGOWNOFSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280054 489165998 /nfs/dbraw/zinc/16/59/98/489165998.db2.gz LOKDEACCCIKQMB-NVXWUHKLSA-N 2 2 353.511 0.032 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280054 489166000 /nfs/dbraw/zinc/16/60/00/489166000.db2.gz LOKDEACCCIKQMB-NVXWUHKLSA-N 2 2 353.511 0.032 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000331052702 489169843 /nfs/dbraw/zinc/16/98/43/489169843.db2.gz MQPFOMMBYXVCAN-UHFFFAOYSA-N 2 2 355.504 0.825 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1N1CCOCC1 ZINC000563357467 491239130 /nfs/dbraw/zinc/23/91/30/491239130.db2.gz SZTNLSYLFAVQFE-SFHVURJKSA-N 2 2 351.491 0.894 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1N1CCOCC1 ZINC000563357467 491239133 /nfs/dbraw/zinc/23/91/33/491239133.db2.gz SZTNLSYLFAVQFE-SFHVURJKSA-N 2 2 351.491 0.894 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000563357467 491239134 /nfs/dbraw/zinc/23/91/34/491239134.db2.gz SZTNLSYLFAVQFE-SFHVURJKSA-N 2 2 351.491 0.894 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000563357467 491239137 /nfs/dbraw/zinc/23/91/37/491239137.db2.gz SZTNLSYLFAVQFE-SFHVURJKSA-N 2 2 351.491 0.894 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000331363504 489201588 /nfs/dbraw/zinc/20/15/88/489201588.db2.gz AKVGSHITNMWXFH-KBAYOESNSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000331363504 489201591 /nfs/dbraw/zinc/20/15/91/489201591.db2.gz AKVGSHITNMWXFH-KBAYOESNSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000331461632 489214111 /nfs/dbraw/zinc/21/41/11/489214111.db2.gz KUVGYTOHFHPYNN-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000331461632 489214114 /nfs/dbraw/zinc/21/41/14/489214114.db2.gz KUVGYTOHFHPYNN-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297616234 489214260 /nfs/dbraw/zinc/21/42/60/489214260.db2.gz IAANYBPJSNIVNC-UHFFFAOYSA-N 2 2 367.494 0.548 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000332560886 489219615 /nfs/dbraw/zinc/21/96/15/489219615.db2.gz WIOMDIPJGGUCLN-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000332560886 489219619 /nfs/dbraw/zinc/21/96/19/489219619.db2.gz WIOMDIPJGGUCLN-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000332561843 489220651 /nfs/dbraw/zinc/22/06/51/489220651.db2.gz VOPRLIAKTLMHIP-HZPDHXFCSA-N 2 2 359.474 0.671 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000332561843 489220653 /nfs/dbraw/zinc/22/06/53/489220653.db2.gz VOPRLIAKTLMHIP-HZPDHXFCSA-N 2 2 359.474 0.671 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)CC2)c1 ZINC000332563639 489220739 /nfs/dbraw/zinc/22/07/39/489220739.db2.gz WFPNLCDITLSNGI-KRWDZBQOSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@H]3C(C)C)CC2)c1 ZINC000332563639 489220740 /nfs/dbraw/zinc/22/07/40/489220740.db2.gz WFPNLCDITLSNGI-KRWDZBQOSA-N 2 2 373.501 0.837 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000555168116 491240613 /nfs/dbraw/zinc/24/06/13/491240613.db2.gz OISSIWISXIBLNW-GJZGRUSLSA-N 2 2 353.511 0.709 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000555168116 491240614 /nfs/dbraw/zinc/24/06/14/491240614.db2.gz OISSIWISXIBLNW-GJZGRUSLSA-N 2 2 353.511 0.709 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369138 489230983 /nfs/dbraw/zinc/23/09/83/489230983.db2.gz FLQFLTXVAHBQBU-GOEBONIOSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369138 489230984 /nfs/dbraw/zinc/23/09/84/489230984.db2.gz FLQFLTXVAHBQBU-GOEBONIOSA-N 2 2 351.495 0.463 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000297734570 489232026 /nfs/dbraw/zinc/23/20/26/489232026.db2.gz HLNHUVYMDDLUDF-CVEARBPZSA-N 2 2 363.462 0.083 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283245016 489232515 /nfs/dbraw/zinc/23/25/15/489232515.db2.gz DBBOPNBMBLYKKG-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283245016 489232518 /nfs/dbraw/zinc/23/25/18/489232518.db2.gz DBBOPNBMBLYKKG-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000283264128 489235302 /nfs/dbraw/zinc/23/53/02/489235302.db2.gz ADWILVSGWKCPMP-UHFFFAOYSA-N 2 2 355.442 0.547 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@H](c2ccccc2)C1 ZINC000297823404 489247150 /nfs/dbraw/zinc/24/71/50/489247150.db2.gz LSTKVSIAJJTICI-MOPGFXCFSA-N 2 2 368.481 0.974 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@H](c2ccccc2)C1 ZINC000297823404 489247152 /nfs/dbraw/zinc/24/71/52/489247152.db2.gz LSTKVSIAJJTICI-MOPGFXCFSA-N 2 2 368.481 0.974 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000369523805 489248587 /nfs/dbraw/zinc/24/85/87/489248587.db2.gz XTBQFEWGJOYSHN-IXDOHACOSA-N 2 2 354.495 0.195 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524086 489248601 /nfs/dbraw/zinc/24/86/01/489248601.db2.gz ZMQKFPDWKZERAH-SJORKVTESA-N 3 2 367.538 0.422 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524086 489248602 /nfs/dbraw/zinc/24/86/02/489248602.db2.gz ZMQKFPDWKZERAH-SJORKVTESA-N 3 2 367.538 0.422 20 0 FCADLP COCC[NH+](CCOC)C1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000563396771 491241713 /nfs/dbraw/zinc/24/17/13/491241713.db2.gz HVGDOGPRSPEYCE-INIZCTEOSA-N 2 2 357.495 0.293 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@H]21 ZINC000332949311 489249191 /nfs/dbraw/zinc/24/91/91/489249191.db2.gz SJZSROIOELOVLB-MSOLQXFVSA-N 2 2 359.474 0.770 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@H]21 ZINC000332949311 489249195 /nfs/dbraw/zinc/24/91/95/489249195.db2.gz SJZSROIOELOVLB-MSOLQXFVSA-N 2 2 359.474 0.770 20 0 FCADLP CC(C)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000332981229 489254201 /nfs/dbraw/zinc/25/42/01/489254201.db2.gz NLZCYCMSHVZAGU-IRXDYDNUSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000332991349 489255043 /nfs/dbraw/zinc/25/50/43/489255043.db2.gz DZRBOXSHIVEIRX-GJZGRUSLSA-N 2 2 360.462 0.146 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000332991349 489255046 /nfs/dbraw/zinc/25/50/46/489255046.db2.gz DZRBOXSHIVEIRX-GJZGRUSLSA-N 2 2 360.462 0.146 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613533 489257918 /nfs/dbraw/zinc/25/79/18/489257918.db2.gz MABOPDAILIJPHD-DLBZAZTESA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613533 489257920 /nfs/dbraw/zinc/25/79/20/489257920.db2.gz MABOPDAILIJPHD-DLBZAZTESA-N 2 2 367.490 0.442 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000297942220 489266114 /nfs/dbraw/zinc/26/61/14/489266114.db2.gz TXAAUXQJEPVVAJ-UHFFFAOYSA-N 2 2 357.458 0.427 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000283537468 489271838 /nfs/dbraw/zinc/27/18/38/489271838.db2.gz PSIQKRXAZBRZQI-UHFFFAOYSA-N 2 2 354.414 0.782 20 0 FCADLP COCCOC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790942 489276014 /nfs/dbraw/zinc/27/60/14/489276014.db2.gz PCJKFXOXQKFJJF-SJORKVTESA-N 2 2 368.522 0.849 20 0 FCADLP COCCOC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790942 489276017 /nfs/dbraw/zinc/27/60/17/489276017.db2.gz PCJKFXOXQKFJJF-SJORKVTESA-N 2 2 368.522 0.849 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000283594662 489279469 /nfs/dbraw/zinc/27/94/69/489279469.db2.gz OSLCUXPTFDUXEH-HNNXBMFYSA-N 2 2 368.503 0.306 20 0 FCADLP Cc1csc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000283611877 489281316 /nfs/dbraw/zinc/28/13/16/489281316.db2.gz XKUDEQKZTAOLRU-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP Cc1csc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000283611877 489281319 /nfs/dbraw/zinc/28/13/19/489281319.db2.gz XKUDEQKZTAOLRU-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283689248 489291572 /nfs/dbraw/zinc/29/15/72/489291572.db2.gz WXODNEORHOYWLK-KRWDZBQOSA-N 2 2 358.486 0.855 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)C1CC1 ZINC000284876822 489314682 /nfs/dbraw/zinc/31/46/82/489314682.db2.gz GKBCVCHYYQYSQY-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)C1CC1 ZINC000284876822 489314685 /nfs/dbraw/zinc/31/46/85/489314685.db2.gz GKBCVCHYYQYSQY-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000284876822 489314689 /nfs/dbraw/zinc/31/46/89/489314689.db2.gz GKBCVCHYYQYSQY-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C1CC1 ZINC000284876822 489314694 /nfs/dbraw/zinc/31/46/94/489314694.db2.gz GKBCVCHYYQYSQY-UHFFFAOYSA-N 2 2 364.515 0.823 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000285502934 489319248 /nfs/dbraw/zinc/31/92/48/489319248.db2.gz OBORTOFNVZJEIC-UHFFFAOYSA-N 2 2 359.430 0.178 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2noc(CCCC[NH+]3CCOCC3)n2)CC1 ZINC000350211975 489336107 /nfs/dbraw/zinc/33/61/07/489336107.db2.gz PUCKEZCNQQWJBW-UHFFFAOYSA-N 2 2 351.451 0.041 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000286012853 489346281 /nfs/dbraw/zinc/34/62/81/489346281.db2.gz UVXKMRRPWCAJME-UHFFFAOYSA-N 2 2 361.421 0.695 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000286012853 489346285 /nfs/dbraw/zinc/34/62/85/489346285.db2.gz UVXKMRRPWCAJME-UHFFFAOYSA-N 2 2 361.421 0.695 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000563460700 491249481 /nfs/dbraw/zinc/24/94/81/491249481.db2.gz HDYAAMHCHSYDHZ-OAHLLOKOSA-N 2 2 364.494 1.115 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CCN2C1=O ZINC000563459158 491249554 /nfs/dbraw/zinc/24/95/54/491249554.db2.gz VLGRSAJACOMEGY-IRXDYDNUSA-N 2 2 368.441 0.385 20 0 FCADLP C[NH2+][C@@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000286102728 489356584 /nfs/dbraw/zinc/35/65/84/489356584.db2.gz NSNBZWOEFQWBGI-GOSISDBHSA-N 2 2 374.464 0.758 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000361771635 489366038 /nfs/dbraw/zinc/36/60/38/489366038.db2.gz ZUZGJPVSGVSUCM-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000361771635 489366040 /nfs/dbraw/zinc/36/60/40/489366040.db2.gz ZUZGJPVSGVSUCM-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000298840809 489372616 /nfs/dbraw/zinc/37/26/16/489372616.db2.gz WQUZUQWMIUJFPA-AEFFLSMTSA-N 2 2 373.501 0.839 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCO1 ZINC000563559413 491254780 /nfs/dbraw/zinc/25/47/80/491254780.db2.gz DXSLBFIQSHZRGS-MSOLQXFVSA-N 2 2 362.474 0.819 20 0 FCADLP CN(C)c1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000286691931 489417815 /nfs/dbraw/zinc/41/78/15/489417815.db2.gz QRPNEAYDTNQORS-UHFFFAOYSA-N 2 2 369.535 0.794 20 0 FCADLP CN(C)c1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000286691931 489417816 /nfs/dbraw/zinc/41/78/16/489417816.db2.gz QRPNEAYDTNQORS-UHFFFAOYSA-N 2 2 369.535 0.794 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)on1 ZINC000563606898 491257762 /nfs/dbraw/zinc/25/77/62/491257762.db2.gz OOKHGFMLAPGART-RHMLRGBNSA-N 2 2 351.426 0.755 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)on1 ZINC000563606898 491257764 /nfs/dbraw/zinc/25/77/64/491257764.db2.gz OOKHGFMLAPGART-RHMLRGBNSA-N 2 2 351.426 0.755 20 0 FCADLP COCC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363255717 489445531 /nfs/dbraw/zinc/44/55/31/489445531.db2.gz BJXLLYWQXDEXTK-PBHICJAKSA-N 2 2 354.495 0.058 20 0 FCADLP COCC(=O)N[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000363255717 489445535 /nfs/dbraw/zinc/44/55/35/489445535.db2.gz BJXLLYWQXDEXTK-PBHICJAKSA-N 2 2 354.495 0.058 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000570698735 491259025 /nfs/dbraw/zinc/25/90/25/491259025.db2.gz WUKSPXURVRJZFS-MRXNPFEDSA-N 2 2 371.445 0.400 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000570698735 491259026 /nfs/dbraw/zinc/25/90/26/491259026.db2.gz WUKSPXURVRJZFS-MRXNPFEDSA-N 2 2 371.445 0.400 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363349949 489455879 /nfs/dbraw/zinc/45/58/79/489455879.db2.gz UARZNGQLXGPSFX-LJQANCHMSA-N 3 2 365.566 0.641 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000363349949 489455883 /nfs/dbraw/zinc/45/58/83/489455883.db2.gz UARZNGQLXGPSFX-LJQANCHMSA-N 3 2 365.566 0.641 20 0 FCADLP C[C@@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)[NH+]1CCN(C)CC1 ZINC000363413443 489464310 /nfs/dbraw/zinc/46/43/10/489464310.db2.gz CJUDYUYFRSEQQT-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP COc1cc(OC)c(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000563578399 491255635 /nfs/dbraw/zinc/25/56/35/491255635.db2.gz NJFDWBAVZLDYIU-CYBMUJFWSA-N 2 2 366.462 0.539 20 0 FCADLP COc1cc(OC)c(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000563578399 491255637 /nfs/dbraw/zinc/25/56/37/491255637.db2.gz NJFDWBAVZLDYIU-CYBMUJFWSA-N 2 2 366.462 0.539 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000371322414 489477016 /nfs/dbraw/zinc/47/70/16/489477016.db2.gz ZFFKTQVESAAJDW-AEFFLSMTSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000371322414 489477018 /nfs/dbraw/zinc/47/70/18/489477018.db2.gz ZFFKTQVESAAJDW-AEFFLSMTSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000371326162 489477034 /nfs/dbraw/zinc/47/70/34/489477034.db2.gz LHDBJXYIVVKFGS-GOSISDBHSA-N 2 2 369.469 0.811 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000371326162 489477036 /nfs/dbraw/zinc/47/70/36/489477036.db2.gz LHDBJXYIVVKFGS-GOSISDBHSA-N 2 2 369.469 0.811 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(=O)N1c2ccccc2C[C@H]1C ZINC000570667213 491256625 /nfs/dbraw/zinc/25/66/25/491256625.db2.gz PYIMHQMTUWONCO-IJEWVQPXSA-N 2 2 359.474 0.637 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(=O)N1c2ccccc2C[C@H]1C ZINC000570667213 491256627 /nfs/dbraw/zinc/25/66/27/491256627.db2.gz PYIMHQMTUWONCO-IJEWVQPXSA-N 2 2 359.474 0.637 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000570709448 491259501 /nfs/dbraw/zinc/25/95/01/491259501.db2.gz ZPJIPPJQDLFFDW-HRCADAONSA-N 2 2 357.458 0.316 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423298111 489512530 /nfs/dbraw/zinc/51/25/30/489512530.db2.gz NEUYXDSSPWAMHF-SJLPKXTDSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423298111 489512534 /nfs/dbraw/zinc/51/25/34/489512534.db2.gz NEUYXDSSPWAMHF-SJLPKXTDSA-N 2 2 374.485 0.296 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423297373 489512804 /nfs/dbraw/zinc/51/28/04/489512804.db2.gz KAPZZQCWHUGOSB-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423297373 489512806 /nfs/dbraw/zinc/51/28/06/489512806.db2.gz KAPZZQCWHUGOSB-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CCC[NH+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000371830571 489515683 /nfs/dbraw/zinc/51/56/83/489515683.db2.gz JVMARPXULQQEOU-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)[nH+]c1 ZINC000424551339 489516098 /nfs/dbraw/zinc/51/60/98/489516098.db2.gz OLPVOVOQCKIFSS-ZDUSSCGKSA-N 2 2 369.416 0.669 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000415420236 489519168 /nfs/dbraw/zinc/51/91/68/489519168.db2.gz WEYSCXXBBKOVSP-LSDHHAIUSA-N 2 2 362.474 0.990 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000415422308 489519594 /nfs/dbraw/zinc/51/95/94/489519594.db2.gz ZHNWEKMJHJABQE-UHFFFAOYSA-N 2 2 362.478 0.918 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415443334 489521889 /nfs/dbraw/zinc/52/18/89/489521889.db2.gz QXOZEECAZAULQD-KRWDZBQOSA-N 2 2 361.490 0.472 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C[N@@H+]3C[C@@H](O)[C@H](OC)C3)ccc2F)C[C@H]1O ZINC000451765024 489523014 /nfs/dbraw/zinc/52/30/14/489523014.db2.gz UBMPPUPHFYDOTD-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C[N@H+]3C[C@@H](O)[C@H](OC)C3)ccc2F)C[C@H]1O ZINC000451765024 489523018 /nfs/dbraw/zinc/52/30/18/489523018.db2.gz UBMPPUPHFYDOTD-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)c(C[N@@H+]3C[C@@H](O)[C@H](OC)C3)c2)C[C@H]1O ZINC000451765024 489523022 /nfs/dbraw/zinc/52/30/22/489523022.db2.gz UBMPPUPHFYDOTD-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)c(C[N@H+]3C[C@@H](O)[C@H](OC)C3)c2)C[C@H]1O ZINC000451765024 489523024 /nfs/dbraw/zinc/52/30/24/489523024.db2.gz UBMPPUPHFYDOTD-BRSBDYLESA-N 2 2 354.422 0.209 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000415539058 489528010 /nfs/dbraw/zinc/52/80/10/489528010.db2.gz LEJADCVORYRNLJ-QGZVFWFLSA-N 2 2 359.474 0.226 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425879918 489538925 /nfs/dbraw/zinc/53/89/25/489538925.db2.gz JDFJBVNDJWJLNX-DLBZAZTESA-N 2 2 367.453 0.769 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425879918 489538927 /nfs/dbraw/zinc/53/89/27/489538927.db2.gz JDFJBVNDJWJLNX-DLBZAZTESA-N 2 2 367.453 0.769 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415644550 489539436 /nfs/dbraw/zinc/53/94/36/489539436.db2.gz KYLDQFHBSPLYHW-SJLPKXTDSA-N 2 2 373.501 0.759 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415659425 489539992 /nfs/dbraw/zinc/53/99/92/489539992.db2.gz RBZKFHWDAFIXKF-OAHLLOKOSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@H]1C[C@@H]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563662067 491262047 /nfs/dbraw/zinc/26/20/47/491262047.db2.gz VITXOFFXCJFULB-JKSUJKDBSA-N 2 2 350.507 0.729 20 0 FCADLP CN(Cc1ncnn1CC(F)F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000425945641 489550568 /nfs/dbraw/zinc/55/05/68/489550568.db2.gz RMDZPBXEQSANJW-UHFFFAOYSA-N 2 2 373.452 0.711 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138806 489556184 /nfs/dbraw/zinc/55/61/84/489556184.db2.gz JEIKWLBRANNZMR-QWHCGFSZSA-N 2 2 364.412 0.539 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138806 489556186 /nfs/dbraw/zinc/55/61/86/489556186.db2.gz JEIKWLBRANNZMR-QWHCGFSZSA-N 2 2 364.412 0.539 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000415852672 489559091 /nfs/dbraw/zinc/55/90/91/489559091.db2.gz RIRCKLDJBHMANW-WBVHZDCISA-N 2 2 374.485 0.901 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000426207488 489559201 /nfs/dbraw/zinc/55/92/01/489559201.db2.gz WEGDSHJYIBYGHO-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000426207488 489559203 /nfs/dbraw/zinc/55/92/03/489559203.db2.gz WEGDSHJYIBYGHO-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415860832 489560401 /nfs/dbraw/zinc/56/04/01/489560401.db2.gz VMAQQSPHUVLVMN-OAHLLOKOSA-N 2 2 369.425 0.832 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+]1CCC(C)CC1 ZINC000426313217 489562331 /nfs/dbraw/zinc/56/23/31/489562331.db2.gz LVLLHWJFIRXGFH-OAHLLOKOSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[C@@H](C)[NH+]1CCOCC1 ZINC000415958277 489565977 /nfs/dbraw/zinc/56/59/77/489565977.db2.gz WRGLIGQFRWAIIY-ZIAGYGMSSA-N 2 2 363.466 0.117 20 0 FCADLP Cc1cc(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)nc(C(C)C)[nH+]1 ZINC000372313058 489569326 /nfs/dbraw/zinc/56/93/26/489569326.db2.gz HGTJJIVKVIOBNT-QGZVFWFLSA-N 2 2 372.517 0.947 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+]([C@H]4CCOC4)CC3)nc[nH+]2)CC1=O ZINC000372348666 489574358 /nfs/dbraw/zinc/57/43/58/489574358.db2.gz QIALZQRKSMINAX-HNNXBMFYSA-N 2 2 360.462 0.420 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+]([C@H]4CCOC4)CC3)[nH+]cn2)CC1=O ZINC000372348666 489574360 /nfs/dbraw/zinc/57/43/60/489574360.db2.gz QIALZQRKSMINAX-HNNXBMFYSA-N 2 2 360.462 0.420 20 0 FCADLP COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000416370667 489585313 /nfs/dbraw/zinc/58/53/13/489585313.db2.gz LEDNGPWBAQMZHO-UHFFFAOYSA-N 2 2 369.487 0.618 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nn1 ZINC000570805057 491265725 /nfs/dbraw/zinc/26/57/25/491265725.db2.gz KDFPFYCMWZIQGC-LBPRGKRZSA-N 2 2 361.475 0.958 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nn1 ZINC000570805057 491265727 /nfs/dbraw/zinc/26/57/27/491265727.db2.gz KDFPFYCMWZIQGC-LBPRGKRZSA-N 2 2 361.475 0.958 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](OCCO)C3)C2)CC1 ZINC000372591715 489605117 /nfs/dbraw/zinc/60/51/17/489605117.db2.gz OJWXUVUHPUTQCX-DOTOQJQBSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](OCCO)C3)C2)CC1 ZINC000372591715 489605118 /nfs/dbraw/zinc/60/51/18/489605118.db2.gz OJWXUVUHPUTQCX-DOTOQJQBSA-N 2 2 354.495 0.338 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1)N1CCCC1 ZINC000570817208 491266697 /nfs/dbraw/zinc/26/66/97/491266697.db2.gz IKABHWXZHCPSFZ-BRWVUGGUSA-N 2 2 363.506 0.324 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000416876849 489632282 /nfs/dbraw/zinc/63/22/82/489632282.db2.gz VWXZSKHTYIYBCX-OAHLLOKOSA-N 2 2 358.446 0.863 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000416896783 489632974 /nfs/dbraw/zinc/63/29/74/489632974.db2.gz WOWKFVJGRSIGCB-HNNXBMFYSA-N 2 2 372.473 0.841 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c[nH+]1 ZINC000417013150 489638561 /nfs/dbraw/zinc/63/85/61/489638561.db2.gz YDJQDBJBALCSLR-OAHLLOKOSA-N 2 2 362.478 0.677 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417048029 489640021 /nfs/dbraw/zinc/64/00/21/489640021.db2.gz YYOYJFUILBXXAZ-SFHVURJKSA-N 2 2 361.490 0.264 20 0 FCADLP C[C@@](O)(CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000372821065 489639994 /nfs/dbraw/zinc/63/99/94/489639994.db2.gz JMSALXBDBIXLIT-CRAIPNDOSA-N 2 2 363.462 0.043 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417169518 489643871 /nfs/dbraw/zinc/64/38/71/489643871.db2.gz BOPHQGKMAXOVMH-QZTJIDSGSA-N 2 2 362.474 0.737 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000457511259 489648085 /nfs/dbraw/zinc/64/80/85/489648085.db2.gz YZCOTHXSJWGCHQ-UHFFFAOYSA-N 2 2 363.462 0.674 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000428565346 489653997 /nfs/dbraw/zinc/65/39/97/489653997.db2.gz YSZFBXSKOUJDIM-DOTOQJQBSA-N 2 2 354.520 0.929 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000428565346 489654000 /nfs/dbraw/zinc/65/40/00/489654000.db2.gz YSZFBXSKOUJDIM-DOTOQJQBSA-N 2 2 354.520 0.929 20 0 FCADLP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000417628576 489660234 /nfs/dbraw/zinc/66/02/34/489660234.db2.gz PKTCRNOZVPVIDG-QGZVFWFLSA-N 2 2 365.522 0.747 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(F)(F)C[NH3+] ZINC000417745961 489663875 /nfs/dbraw/zinc/66/38/75/489663875.db2.gz OWGDGONLPPWWDE-CYBMUJFWSA-N 2 2 356.421 0.485 20 0 FCADLP CCOC1CC(O)(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373099029 489668474 /nfs/dbraw/zinc/66/84/74/489668474.db2.gz LYPZXHHRWLETSY-NXVRBGIVSA-N 2 2 354.495 0.384 20 0 FCADLP CCOC1CC(O)(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373099029 489668477 /nfs/dbraw/zinc/66/84/77/489668477.db2.gz LYPZXHHRWLETSY-NXVRBGIVSA-N 2 2 354.495 0.384 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000417856828 489668695 /nfs/dbraw/zinc/66/86/95/489668695.db2.gz WOHRMLKRBRSJOG-UHFFFAOYSA-N 2 2 363.453 0.506 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000458287781 489675906 /nfs/dbraw/zinc/67/59/06/489675906.db2.gz BVOQRUNYFMVFNK-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469067026 489688147 /nfs/dbraw/zinc/68/81/47/489688147.db2.gz WVZPTKAGHSKSNM-HOTGVXAUSA-N 2 2 361.446 0.584 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469067026 489688148 /nfs/dbraw/zinc/68/81/48/489688148.db2.gz WVZPTKAGHSKSNM-HOTGVXAUSA-N 2 2 361.446 0.584 20 0 FCADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000429519742 489691139 /nfs/dbraw/zinc/69/11/39/489691139.db2.gz KTHKJJJGYKFTAP-MAUKXSAKSA-N 2 2 374.485 0.503 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000418315333 489691222 /nfs/dbraw/zinc/69/12/22/489691222.db2.gz UVHUXHBLRKLGIS-JKSUJKDBSA-N 2 2 353.511 0.570 20 0 FCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000489038576 489692373 /nfs/dbraw/zinc/69/23/73/489692373.db2.gz JXRPOTCOSLNDBF-QGZVFWFLSA-N 2 2 364.494 0.216 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000429644603 489694940 /nfs/dbraw/zinc/69/49/40/489694940.db2.gz JKUBHJHMGYRCEK-UHFFFAOYSA-N 2 2 374.436 1.511 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000429644603 489694946 /nfs/dbraw/zinc/69/49/46/489694946.db2.gz JKUBHJHMGYRCEK-UHFFFAOYSA-N 2 2 374.436 1.511 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000418377833 489695011 /nfs/dbraw/zinc/69/50/11/489695011.db2.gz ZPDFILDZDNAKLC-IAGOWNOFSA-N 2 2 364.490 0.609 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418601625 489708525 /nfs/dbraw/zinc/70/85/25/489708525.db2.gz LOZKDZTVOHBUGZ-UHFFFAOYSA-N 2 2 351.495 0.492 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418595436 489708985 /nfs/dbraw/zinc/70/89/85/489708985.db2.gz WSQSJANVCSIUST-CVEARBPZSA-N 2 2 353.511 0.713 20 0 FCADLP COCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCO[C@H]1C ZINC000489433859 489711282 /nfs/dbraw/zinc/71/12/82/489711282.db2.gz JJLMVTITMGQNFO-KSZLIROESA-N 2 2 371.522 0.585 20 0 FCADLP COCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCO[C@H]1C ZINC000489433859 489711288 /nfs/dbraw/zinc/71/12/88/489711288.db2.gz JJLMVTITMGQNFO-KSZLIROESA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCO[C@H]1C ZINC000489433859 489711292 /nfs/dbraw/zinc/71/12/92/489711292.db2.gz JJLMVTITMGQNFO-KSZLIROESA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCO[C@H]1C ZINC000489433859 489711295 /nfs/dbraw/zinc/71/12/95/489711295.db2.gz JJLMVTITMGQNFO-KSZLIROESA-N 2 2 371.522 0.585 20 0 FCADLP COCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCO[C@@H]1C ZINC000489433863 489711346 /nfs/dbraw/zinc/71/13/46/489711346.db2.gz JJLMVTITMGQNFO-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP COCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCO[C@@H]1C ZINC000489433863 489711351 /nfs/dbraw/zinc/71/13/51/489711351.db2.gz JJLMVTITMGQNFO-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCO[C@@H]1C ZINC000489433863 489711353 /nfs/dbraw/zinc/71/13/53/489711353.db2.gz JJLMVTITMGQNFO-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCO[C@@H]1C ZINC000489433863 489711357 /nfs/dbraw/zinc/71/13/57/489711357.db2.gz JJLMVTITMGQNFO-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP [NH3+]CCC[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000418662738 489716378 /nfs/dbraw/zinc/71/63/78/489716378.db2.gz UZELSPSMOSIDKL-SFHVURJKSA-N 2 2 364.490 0.803 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418684559 489717878 /nfs/dbraw/zinc/71/78/78/489717878.db2.gz LFTWAPQAINWPJR-QAQDUYKDSA-N 2 2 367.538 0.947 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418747941 489721812 /nfs/dbraw/zinc/72/18/12/489721812.db2.gz KBGMMXMCICFEJU-MRXNPFEDSA-N 2 2 353.511 0.714 20 0 FCADLP C[C@H]1[NH2+]CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000563874780 491274191 /nfs/dbraw/zinc/27/41/91/491274191.db2.gz JRPWWCAJWHEFIQ-CVEARBPZSA-N 2 2 374.489 0.512 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000470446123 489725870 /nfs/dbraw/zinc/72/58/70/489725870.db2.gz YTLMYEKPCUGLOG-KRWDZBQOSA-N 2 2 361.490 0.674 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000470446123 489725874 /nfs/dbraw/zinc/72/58/74/489725874.db2.gz YTLMYEKPCUGLOG-KRWDZBQOSA-N 2 2 361.490 0.674 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489853344 489730909 /nfs/dbraw/zinc/73/09/09/489730909.db2.gz BLSUYXUPHFXRKG-SFHVURJKSA-N 2 2 360.502 0.778 20 0 FCADLP CN1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1=O ZINC000430379499 489733681 /nfs/dbraw/zinc/73/36/81/489733681.db2.gz UCBKPKOAXFSIRE-DLBZAZTESA-N 2 2 355.442 0.538 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000563887819 491274994 /nfs/dbraw/zinc/27/49/94/491274994.db2.gz BETSYCBGFZUFDS-MRXNPFEDSA-N 2 2 350.507 0.921 20 0 FCADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000563887819 491274996 /nfs/dbraw/zinc/27/49/96/491274996.db2.gz BETSYCBGFZUFDS-MRXNPFEDSA-N 2 2 350.507 0.921 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489942448 489737001 /nfs/dbraw/zinc/73/70/01/489737001.db2.gz OUJIOTMKNUIAGF-SOLBZPMBSA-N 2 2 358.486 0.994 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000489960774 489737813 /nfs/dbraw/zinc/73/78/13/489737813.db2.gz YCIYVUACUGLDTA-KRWDZBQOSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548794 489744762 /nfs/dbraw/zinc/74/47/62/489744762.db2.gz HOVUAVVLWRTOTG-AVGNSLFASA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430548794 489744766 /nfs/dbraw/zinc/74/47/66/489744766.db2.gz HOVUAVVLWRTOTG-AVGNSLFASA-N 2 2 354.476 0.720 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000430571856 489747284 /nfs/dbraw/zinc/74/72/84/489747284.db2.gz NBYUPEJRBBLHRJ-KRWDZBQOSA-N 2 2 352.504 0.996 20 0 FCADLP CC[NH2+]CC1CC[NH+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430566011 489747603 /nfs/dbraw/zinc/74/76/03/489747603.db2.gz BASXLFIQOOQGFM-KRWDZBQOSA-N 2 2 373.563 0.980 20 0 FCADLP O=C(C[NH2+]C1(CO)CCSCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000459691832 489747923 /nfs/dbraw/zinc/74/79/23/489747923.db2.gz HAZATMJMAYUSAO-UHFFFAOYSA-N 2 2 353.488 0.772 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837337 489748214 /nfs/dbraw/zinc/74/82/14/489748214.db2.gz SKEATYIBZCCLJA-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837337 489748218 /nfs/dbraw/zinc/74/82/18/489748218.db2.gz SKEATYIBZCCLJA-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c1C ZINC000430578535 489748304 /nfs/dbraw/zinc/74/83/04/489748304.db2.gz PMRUMTQYTMWGCD-INIZCTEOSA-N 2 2 356.492 0.852 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000430579031 489748459 /nfs/dbraw/zinc/74/84/59/489748459.db2.gz QCOWJVDILZFULA-OAHLLOKOSA-N 2 2 368.503 0.528 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000430579031 489748460 /nfs/dbraw/zinc/74/84/60/489748460.db2.gz QCOWJVDILZFULA-OAHLLOKOSA-N 2 2 368.503 0.528 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418838517 489748740 /nfs/dbraw/zinc/74/87/40/489748740.db2.gz BHAMHBXSVGIQJT-IBGZPJMESA-N 2 2 353.426 0.701 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430589618 489749014 /nfs/dbraw/zinc/74/90/14/489749014.db2.gz FFOXMXYRMZNUBH-UHFFFAOYSA-N 2 2 360.867 0.597 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430598139 489749130 /nfs/dbraw/zinc/74/91/30/489749130.db2.gz BVEIPDFEBJUUAK-QGZVFWFLSA-N 2 2 373.501 0.087 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430598139 489749134 /nfs/dbraw/zinc/74/91/34/489749134.db2.gz BVEIPDFEBJUUAK-QGZVFWFLSA-N 2 2 373.501 0.087 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000430613689 489753306 /nfs/dbraw/zinc/75/33/06/489753306.db2.gz ADRGMKZRNVZJTM-HNNXBMFYSA-N 2 2 350.850 0.809 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000430613689 489753310 /nfs/dbraw/zinc/75/33/10/489753310.db2.gz ADRGMKZRNVZJTM-HNNXBMFYSA-N 2 2 350.850 0.809 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418845718 489753415 /nfs/dbraw/zinc/75/34/15/489753415.db2.gz PDMGHMWLFVCUCV-HZPDHXFCSA-N 2 2 353.426 0.556 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430611750 489753649 /nfs/dbraw/zinc/75/36/49/489753649.db2.gz PFECMDUUKNKVSF-CQSZACIVSA-N 2 2 355.442 0.925 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430611750 489753654 /nfs/dbraw/zinc/75/36/54/489753654.db2.gz PFECMDUUKNKVSF-CQSZACIVSA-N 2 2 355.442 0.925 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000376560942 489754598 /nfs/dbraw/zinc/75/45/98/489754598.db2.gz GGZBJCKOGQXWKC-CVEARBPZSA-N 2 2 352.479 0.356 20 0 FCADLP Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000430619108 489755440 /nfs/dbraw/zinc/75/54/40/489755440.db2.gz ZDYPXALEMLADGJ-INIZCTEOSA-N 2 2 362.449 0.993 20 0 FCADLP Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000430619108 489755444 /nfs/dbraw/zinc/75/54/44/489755444.db2.gz ZDYPXALEMLADGJ-INIZCTEOSA-N 2 2 362.449 0.993 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)[nH+]c2c1 ZINC000418852050 489756359 /nfs/dbraw/zinc/75/63/59/489756359.db2.gz ULDKZEMMPUUSJL-NUEKZKHPSA-N 2 2 355.442 0.845 20 0 FCADLP [NH3+]CC1CC[NH+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430622596 489756674 /nfs/dbraw/zinc/75/66/74/489756674.db2.gz GOQBAJRKMHCWLY-INIZCTEOSA-N 2 2 357.520 0.615 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1C ZINC000430625027 489757070 /nfs/dbraw/zinc/75/70/70/489757070.db2.gz KAMSTDUSSAJFMT-UHFFFAOYSA-N 2 2 354.476 0.573 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1C ZINC000430625027 489757075 /nfs/dbraw/zinc/75/70/75/489757075.db2.gz KAMSTDUSSAJFMT-UHFFFAOYSA-N 2 2 354.476 0.573 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000418852821 489757207 /nfs/dbraw/zinc/75/72/07/489757207.db2.gz RJMZTLWQHPNTMJ-DZKIICNBSA-N 2 2 362.474 0.623 20 0 FCADLP [NH3+][C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430630616 489757497 /nfs/dbraw/zinc/75/74/97/489757497.db2.gz RQNWDNORRUISHU-SFHVURJKSA-N 2 2 358.486 0.689 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CC1 ZINC000459826509 489761732 /nfs/dbraw/zinc/76/17/32/489761732.db2.gz XTEKCRKBZXBGJU-UHFFFAOYSA-N 2 2 374.485 0.374 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000459826509 489761737 /nfs/dbraw/zinc/76/17/37/489761737.db2.gz XTEKCRKBZXBGJU-UHFFFAOYSA-N 2 2 374.485 0.374 20 0 FCADLP [NH3+]C[C@H]1CCCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000430642708 489761746 /nfs/dbraw/zinc/76/17/46/489761746.db2.gz KREJSLDKROBMMP-LJQANCHMSA-N 2 2 360.502 0.948 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430646617 489762292 /nfs/dbraw/zinc/76/22/92/489762292.db2.gz WRVBERDYXWOAAN-CYBMUJFWSA-N 2 2 368.428 0.376 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430646617 489762295 /nfs/dbraw/zinc/76/22/95/489762295.db2.gz WRVBERDYXWOAAN-CYBMUJFWSA-N 2 2 368.428 0.376 20 0 FCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430659284 489763941 /nfs/dbraw/zinc/76/39/41/489763941.db2.gz ZDUDINYVMIZFDJ-QGZVFWFLSA-N 2 2 374.485 0.446 20 0 FCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430659284 489763949 /nfs/dbraw/zinc/76/39/49/489763949.db2.gz ZDUDINYVMIZFDJ-QGZVFWFLSA-N 2 2 374.485 0.446 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000430661944 489763997 /nfs/dbraw/zinc/76/39/97/489763997.db2.gz GVZXQYMFPAWQHU-UHFFFAOYSA-N 2 2 374.485 0.459 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000430661944 489764001 /nfs/dbraw/zinc/76/40/01/489764001.db2.gz GVZXQYMFPAWQHU-UHFFFAOYSA-N 2 2 374.485 0.459 20 0 FCADLP C[NH+](C)Cc1nc(C2(NC(=O)COC3C[NH2+]C3)CCCCCC2)no1 ZINC000430696822 489766168 /nfs/dbraw/zinc/76/61/68/489766168.db2.gz WFDIEUKFNLESFS-UHFFFAOYSA-N 2 2 351.451 0.785 20 0 FCADLP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000430722912 489766589 /nfs/dbraw/zinc/76/65/89/489766589.db2.gz NYDKGOXMZOQHQQ-QWHCGFSZSA-N 2 2 350.467 0.350 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000459856132 489769158 /nfs/dbraw/zinc/76/91/58/489769158.db2.gz LVRZXEQQICXZIS-UHFFFAOYSA-N 2 2 370.497 0.946 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000418879994 489771993 /nfs/dbraw/zinc/77/19/93/489771993.db2.gz UUAXFYVTSZYHCL-DOMZBBRYSA-N 2 2 368.865 0.245 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000430815751 489772426 /nfs/dbraw/zinc/77/24/26/489772426.db2.gz SXYMCDBPBJWATG-IGOJGBNBSA-N 2 2 358.486 0.691 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000430815751 489772429 /nfs/dbraw/zinc/77/24/29/489772429.db2.gz SXYMCDBPBJWATG-IGOJGBNBSA-N 2 2 358.486 0.691 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418884014 489774953 /nfs/dbraw/zinc/77/49/53/489774953.db2.gz DSJAILMPVMUJBD-HNNXBMFYSA-N 2 2 373.457 0.346 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418888817 489776287 /nfs/dbraw/zinc/77/62/87/489776287.db2.gz PHJPWCDEZQYUBR-GASCZTMLSA-N 2 2 355.442 0.529 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418887235 489776854 /nfs/dbraw/zinc/77/68/54/489776854.db2.gz AYDZHQGDRIUYHN-WMLDXEAASA-N 2 2 355.442 0.804 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000430926125 489777351 /nfs/dbraw/zinc/77/73/51/489777351.db2.gz NGNKHKXIADDUQH-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000430926125 489777356 /nfs/dbraw/zinc/77/73/56/489777356.db2.gz NGNKHKXIADDUQH-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430939912 489779970 /nfs/dbraw/zinc/77/99/70/489779970.db2.gz MWAMHSANCHPMCL-STQMWFEESA-N 2 2 366.487 0.153 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430939912 489779974 /nfs/dbraw/zinc/77/99/74/489779974.db2.gz MWAMHSANCHPMCL-STQMWFEESA-N 2 2 366.487 0.153 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947522 489780784 /nfs/dbraw/zinc/78/07/84/489780784.db2.gz BKRUBFFMUHYZTF-LPHOPBHVSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947522 489780788 /nfs/dbraw/zinc/78/07/88/489780788.db2.gz BKRUBFFMUHYZTF-LPHOPBHVSA-N 3 2 360.502 0.804 20 0 FCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430962773 489782309 /nfs/dbraw/zinc/78/23/09/489782309.db2.gz HTQHNYHBFQGDHJ-LLVKDONJSA-N 2 2 369.263 0.784 20 0 FCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430962773 489782315 /nfs/dbraw/zinc/78/23/15/489782315.db2.gz HTQHNYHBFQGDHJ-LLVKDONJSA-N 2 2 369.263 0.784 20 0 FCADLP COc1c(N)[nH+]cnc1NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000570985005 491278340 /nfs/dbraw/zinc/27/83/40/491278340.db2.gz AUPQRIQFRZFGHK-UHFFFAOYSA-N 2 2 356.430 1.067 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H](C)[NH2+]1 ZINC000418913188 489787548 /nfs/dbraw/zinc/78/75/48/489787548.db2.gz XKEUOLCZUPRUQH-HUUCEWRRSA-N 2 2 355.442 0.756 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000459912734 489790265 /nfs/dbraw/zinc/79/02/65/489790265.db2.gz BLBCSFPQMHIJRF-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000459912734 489790270 /nfs/dbraw/zinc/79/02/70/489790270.db2.gz BLBCSFPQMHIJRF-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CCOC(=O)c1coc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000474870159 489792073 /nfs/dbraw/zinc/79/20/73/489792073.db2.gz SILOKAZZBYKYTB-OAHLLOKOSA-N 2 2 365.430 0.479 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000459921870 489794396 /nfs/dbraw/zinc/79/43/96/489794396.db2.gz PPIOYXBFDKGYGS-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000459920188 489794478 /nfs/dbraw/zinc/79/44/78/489794478.db2.gz MYLWJSJMOHPTPT-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000459920188 489794479 /nfs/dbraw/zinc/79/44/79/489794479.db2.gz MYLWJSJMOHPTPT-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000418940302 489797539 /nfs/dbraw/zinc/79/75/39/489797539.db2.gz ITNDXWSONBKDAR-GXTWGEPZSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000418940302 489797541 /nfs/dbraw/zinc/79/75/41/489797541.db2.gz ITNDXWSONBKDAR-GXTWGEPZSA-N 2 2 350.488 0.418 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000376801879 489798866 /nfs/dbraw/zinc/79/88/66/489798866.db2.gz NXNBGVNEAROSPD-OKZBNKHCSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000376801879 489798867 /nfs/dbraw/zinc/79/88/67/489798867.db2.gz NXNBGVNEAROSPD-OKZBNKHCSA-N 2 2 368.522 0.848 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000459947335 489802221 /nfs/dbraw/zinc/80/22/21/489802221.db2.gz GPONZVWJESYLLH-UHFFFAOYSA-N 2 2 364.465 0.880 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418997438 489813477 /nfs/dbraw/zinc/81/34/77/489813477.db2.gz GASWPIDXTLUAOX-KRWDZBQOSA-N 2 2 362.474 0.514 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418997438 489813479 /nfs/dbraw/zinc/81/34/79/489813479.db2.gz GASWPIDXTLUAOX-KRWDZBQOSA-N 2 2 362.474 0.514 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000419006407 489815426 /nfs/dbraw/zinc/81/54/26/489815426.db2.gz WGEPXENOYMTAFG-OAHLLOKOSA-N 2 2 357.458 0.919 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460008210 489816159 /nfs/dbraw/zinc/81/61/59/489816159.db2.gz DYYDLTUIVQAFTD-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460008210 489816163 /nfs/dbraw/zinc/81/61/63/489816163.db2.gz DYYDLTUIVQAFTD-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000376919373 489817897 /nfs/dbraw/zinc/81/78/97/489817897.db2.gz OAZCDYVFWAGLRF-FUHWJXTLSA-N 2 2 367.538 0.517 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000475397609 489823543 /nfs/dbraw/zinc/82/35/43/489823543.db2.gz WZKQVMHPQULFNX-HUUCEWRRSA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000475397609 489823547 /nfs/dbraw/zinc/82/35/47/489823547.db2.gz WZKQVMHPQULFNX-HUUCEWRRSA-N 2 2 355.479 0.344 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419028386 489824146 /nfs/dbraw/zinc/82/41/46/489824146.db2.gz QBMPENZGRCMBFE-UHFFFAOYSA-N 2 2 359.405 0.886 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@@H+]1CC(C)(C)O ZINC000376969469 489827232 /nfs/dbraw/zinc/82/72/32/489827232.db2.gz WAOOAOBNWNVDRC-NVXWUHKLSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@H+]1CC(C)(C)O ZINC000376969469 489827238 /nfs/dbraw/zinc/82/72/38/489827238.db2.gz WAOOAOBNWNVDRC-NVXWUHKLSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969469 489827240 /nfs/dbraw/zinc/82/72/40/489827240.db2.gz WAOOAOBNWNVDRC-NVXWUHKLSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969469 489827245 /nfs/dbraw/zinc/82/72/45/489827245.db2.gz WAOOAOBNWNVDRC-NVXWUHKLSA-N 2 2 353.507 0.791 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000460038185 489827634 /nfs/dbraw/zinc/82/76/34/489827634.db2.gz UZXOXUJPOLQVEJ-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419039116 489829215 /nfs/dbraw/zinc/82/92/15/489829215.db2.gz KPFCYSFHTUSSNZ-CJNGLKHVSA-N 2 2 371.441 0.718 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000563985559 491281752 /nfs/dbraw/zinc/28/17/52/491281752.db2.gz FMYOVJYSROBPKM-LSDHHAIUSA-N 2 2 365.478 0.290 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000563985559 491281754 /nfs/dbraw/zinc/28/17/54/491281754.db2.gz FMYOVJYSROBPKM-LSDHHAIUSA-N 2 2 365.478 0.290 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)CCC2 ZINC000419043472 489832427 /nfs/dbraw/zinc/83/24/27/489832427.db2.gz REFKBVGHUYQXSJ-HZSPNIEDSA-N 2 2 363.462 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000419055369 489837497 /nfs/dbraw/zinc/83/74/97/489837497.db2.gz BCADROCDECNWRO-DVOMOZLQSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067962 489841182 /nfs/dbraw/zinc/84/11/82/489841182.db2.gz YHDMFLUNGXAJIX-DLBZAZTESA-N 2 2 350.507 0.873 20 0 FCADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067962 489841185 /nfs/dbraw/zinc/84/11/85/489841185.db2.gz YHDMFLUNGXAJIX-DLBZAZTESA-N 2 2 350.507 0.873 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000460072106 489842900 /nfs/dbraw/zinc/84/29/00/489842900.db2.gz DIMGQQDYOKMIFE-KRWDZBQOSA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000460072106 489842905 /nfs/dbraw/zinc/84/29/05/489842905.db2.gz DIMGQQDYOKMIFE-KRWDZBQOSA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc(F)c1 ZINC000419068593 489843619 /nfs/dbraw/zinc/84/36/19/489843619.db2.gz FSDVPUOAAAHOIY-OAHLLOKOSA-N 2 2 373.432 0.975 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419083419 489850724 /nfs/dbraw/zinc/85/07/24/489850724.db2.gz RDWBVCFMDPZWOY-DOMZBBRYSA-N 2 2 359.405 0.585 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419085296 489850758 /nfs/dbraw/zinc/85/07/58/489850758.db2.gz VRVSBWFJLCVPIS-XJKSGUPXSA-N 2 2 373.432 0.975 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419109267 489858194 /nfs/dbraw/zinc/85/81/94/489858194.db2.gz ARJXJZSSCAPJHW-JKSUJKDBSA-N 2 2 354.495 0.047 20 0 FCADLP C(C[NH+]1CCOCC1)C1CC[NH+](Cc2nnnn2C2CCOCC2)CC1 ZINC000432956957 489860568 /nfs/dbraw/zinc/86/05/68/489860568.db2.gz BTFIPGPPXWHUGL-UHFFFAOYSA-N 2 2 364.494 0.959 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419114030 489860744 /nfs/dbraw/zinc/86/07/44/489860744.db2.gz HLFZQBIENBQXPL-SJORKVTESA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115436 489862002 /nfs/dbraw/zinc/86/20/02/489862002.db2.gz JPIYLMBJBWYHFH-SJORKVTESA-N 2 2 368.522 0.437 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419118908 489863358 /nfs/dbraw/zinc/86/33/58/489863358.db2.gz OIQGMMONLBUCNE-IRXDYDNUSA-N 2 2 371.485 0.756 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419121078 489865182 /nfs/dbraw/zinc/86/51/82/489865182.db2.gz ROUDFVYKFKMHGZ-BRWVUGGUSA-N 2 2 368.522 0.293 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000433068094 489865664 /nfs/dbraw/zinc/86/56/64/489865664.db2.gz NTCCTXWLQUPGKR-OAHLLOKOSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000433068094 489865667 /nfs/dbraw/zinc/86/56/67/489865667.db2.gz NTCCTXWLQUPGKR-OAHLLOKOSA-N 2 2 359.536 0.732 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000419121367 489866040 /nfs/dbraw/zinc/86/60/40/489866040.db2.gz DIZIOLNFXSISKU-UHFFFAOYSA-N 2 2 369.469 0.801 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419121975 489866050 /nfs/dbraw/zinc/86/60/50/489866050.db2.gz SRFAIBURDDCFAR-XHSDSOJGSA-N 2 2 354.495 0.058 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000419123356 489866985 /nfs/dbraw/zinc/86/69/85/489866985.db2.gz VSBNCEGPLPEESY-INMHGKMJSA-N 2 2 368.522 0.448 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000433123648 489867846 /nfs/dbraw/zinc/86/78/46/489867846.db2.gz VZRRZHXDYCCUDX-UHFFFAOYSA-N 2 2 353.488 0.780 20 0 FCADLP CC(C)OC[C@H](CO)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433168113 489870105 /nfs/dbraw/zinc/87/01/05/489870105.db2.gz QISZEQUGLBXXOQ-KRWDZBQOSA-N 2 2 364.490 0.838 20 0 FCADLP CC(C)OC[C@H](CO)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433168113 489870109 /nfs/dbraw/zinc/87/01/09/489870109.db2.gz QISZEQUGLBXXOQ-KRWDZBQOSA-N 2 2 364.490 0.838 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC000494177349 489873092 /nfs/dbraw/zinc/87/30/92/489873092.db2.gz WNUHMIQQVWCLLD-QGZVFWFLSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC000494177349 489873096 /nfs/dbraw/zinc/87/30/96/489873096.db2.gz WNUHMIQQVWCLLD-QGZVFWFLSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000419984070 489873339 /nfs/dbraw/zinc/87/33/39/489873339.db2.gz VMPZJYTURBGHME-KGLIPLIRSA-N 2 2 352.504 0.925 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000433316145 489876235 /nfs/dbraw/zinc/87/62/35/489876235.db2.gz DSBQCCLJOYSDSG-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000433316145 489876236 /nfs/dbraw/zinc/87/62/36/489876236.db2.gz DSBQCCLJOYSDSG-BRWVUGGUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420026215 489885316 /nfs/dbraw/zinc/88/53/16/489885316.db2.gz ZXDAUMISLZTCQQ-BHYGNILZSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420026215 489885319 /nfs/dbraw/zinc/88/53/19/489885319.db2.gz ZXDAUMISLZTCQQ-BHYGNILZSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420032180 489887426 /nfs/dbraw/zinc/88/74/26/489887426.db2.gz GDIVNZZZMAMDQV-NJAFHUGGSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420032180 489887428 /nfs/dbraw/zinc/88/74/28/489887428.db2.gz GDIVNZZZMAMDQV-NJAFHUGGSA-N 2 2 358.486 0.963 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420042723 489891135 /nfs/dbraw/zinc/89/11/35/489891135.db2.gz NWVYJRQMSCZIJC-UHFFFAOYSA-N 2 2 368.522 0.642 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420042723 489891137 /nfs/dbraw/zinc/89/11/37/489891137.db2.gz NWVYJRQMSCZIJC-UHFFFAOYSA-N 2 2 368.522 0.642 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000476503883 489894419 /nfs/dbraw/zinc/89/44/19/489894419.db2.gz DNGOEGKTTWQNKT-RTBURBONSA-N 2 2 372.513 0.818 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000476503883 489894422 /nfs/dbraw/zinc/89/44/22/489894422.db2.gz DNGOEGKTTWQNKT-RTBURBONSA-N 2 2 372.513 0.818 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000494532922 489894499 /nfs/dbraw/zinc/89/44/99/489894499.db2.gz OEXLHJKBALULNY-HNNXBMFYSA-N 2 2 353.511 0.842 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000494532922 489894500 /nfs/dbraw/zinc/89/45/00/489894500.db2.gz OEXLHJKBALULNY-HNNXBMFYSA-N 2 2 353.511 0.842 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000420052874 489894765 /nfs/dbraw/zinc/89/47/65/489894765.db2.gz CZRHTSWPALKRMC-QGZVFWFLSA-N 2 2 360.458 0.063 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420059613 489897693 /nfs/dbraw/zinc/89/76/93/489897693.db2.gz GOECKDNSWGZNEM-JKSUJKDBSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420059613 489897696 /nfs/dbraw/zinc/89/76/96/489897696.db2.gz GOECKDNSWGZNEM-JKSUJKDBSA-N 2 2 374.489 0.143 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000420060190 489898183 /nfs/dbraw/zinc/89/81/83/489898183.db2.gz POAJYZWQTTWXNF-CABCVRRESA-N 2 2 362.478 0.249 20 0 FCADLP O=C(CC[C@@H]1CCC[NH2+]1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494646705 489901763 /nfs/dbraw/zinc/90/17/63/489901763.db2.gz KCOYTHZXGIVQEL-INIZCTEOSA-N 2 2 359.474 0.769 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420075382 489904427 /nfs/dbraw/zinc/90/44/27/489904427.db2.gz SDWAENMPCXBJIA-HOCLYGCPSA-N 2 2 361.490 0.835 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420087651 489907621 /nfs/dbraw/zinc/90/76/21/489907621.db2.gz GGCZWWAISPJVSP-UHFFFAOYSA-N 2 2 360.458 0.133 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420087651 489907627 /nfs/dbraw/zinc/90/76/27/489907627.db2.gz GGCZWWAISPJVSP-UHFFFAOYSA-N 2 2 360.458 0.133 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000494710167 489907619 /nfs/dbraw/zinc/90/76/19/489907619.db2.gz UVJDRJFRWUSEHW-IXDOHACOSA-N 2 2 373.501 0.858 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000494710167 489907622 /nfs/dbraw/zinc/90/76/22/489907622.db2.gz UVJDRJFRWUSEHW-IXDOHACOSA-N 2 2 373.501 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420094177 489909655 /nfs/dbraw/zinc/90/96/55/489909655.db2.gz HFEZQCJGBPLPOF-DAYGRLMNSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420094177 489909661 /nfs/dbraw/zinc/90/96/61/489909661.db2.gz HFEZQCJGBPLPOF-DAYGRLMNSA-N 2 2 354.495 0.060 20 0 FCADLP CN(C)[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)c1c[nH+]cn1C ZINC000494750773 489910965 /nfs/dbraw/zinc/91/09/65/489910965.db2.gz AOWGFSJCQARSKE-QGZVFWFLSA-N 2 2 360.462 0.675 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000420130011 489923000 /nfs/dbraw/zinc/92/30/00/489923000.db2.gz VQNWMUONXXISEA-KBPBESRZSA-N 2 2 350.467 0.249 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000420134538 489924503 /nfs/dbraw/zinc/92/45/03/489924503.db2.gz UVKNZXUQAZAFDD-UONOGXRCSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000434410099 489926405 /nfs/dbraw/zinc/92/64/05/489926405.db2.gz AYUQZDGSMYCDFK-KRWDZBQOSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000434410099 489926409 /nfs/dbraw/zinc/92/64/09/489926409.db2.gz AYUQZDGSMYCDFK-KRWDZBQOSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000434410099 489926414 /nfs/dbraw/zinc/92/64/14/489926414.db2.gz AYUQZDGSMYCDFK-KRWDZBQOSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000434414395 489926744 /nfs/dbraw/zinc/92/67/44/489926744.db2.gz XOBPGDZTJCJOTC-SJORKVTESA-N 2 2 355.527 0.232 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434457307 489929463 /nfs/dbraw/zinc/92/94/63/489929463.db2.gz VSQJGUNFBIERMG-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1CCCc2ccccc21 ZINC000571061613 491283798 /nfs/dbraw/zinc/28/37/98/491283798.db2.gz ZVXACKRXJICXRA-JQHSSLGASA-N 2 2 356.470 0.766 20 0 FCADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1CCCc2ccccc21 ZINC000571061613 491283799 /nfs/dbraw/zinc/28/37/99/491283799.db2.gz ZVXACKRXJICXRA-JQHSSLGASA-N 2 2 356.470 0.766 20 0 FCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628805 489933296 /nfs/dbraw/zinc/93/32/96/489933296.db2.gz OMMRTSFSMSZUSK-SJLPKXTDSA-N 2 2 360.506 0.523 20 0 FCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628805 489933299 /nfs/dbraw/zinc/93/32/99/489933299.db2.gz OMMRTSFSMSZUSK-SJLPKXTDSA-N 2 2 360.506 0.523 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315056 489935108 /nfs/dbraw/zinc/93/51/08/489935108.db2.gz SPXJETVUFKZGMF-WBVHZDCISA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315056 489935113 /nfs/dbraw/zinc/93/51/13/489935113.db2.gz SPXJETVUFKZGMF-WBVHZDCISA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000495315056 489935118 /nfs/dbraw/zinc/93/51/18/489935118.db2.gz SPXJETVUFKZGMF-WBVHZDCISA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000495315056 489935122 /nfs/dbraw/zinc/93/51/22/489935122.db2.gz SPXJETVUFKZGMF-WBVHZDCISA-N 2 2 366.506 0.333 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420157740 489935218 /nfs/dbraw/zinc/93/52/18/489935218.db2.gz XJLCKGFUDDFMNU-DAXSKMNVSA-N 2 2 366.412 0.554 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420176262 489941931 /nfs/dbraw/zinc/94/19/31/489941931.db2.gz PTVZEERYCOTINE-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H](C[NH3+])C1CC1 ZINC000461900441 489944222 /nfs/dbraw/zinc/94/42/22/489944222.db2.gz LXNXHFLTWXYUFZ-LJQANCHMSA-N 2 2 360.502 0.804 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000420184390 489944444 /nfs/dbraw/zinc/94/44/44/489944444.db2.gz NIJMYYGFHZCJSX-AWEZNQCLSA-N 2 2 368.503 0.306 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000420186949 489945201 /nfs/dbraw/zinc/94/52/01/489945201.db2.gz CVOZSXQGWOHARS-KBAYOESNSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000420186949 489945204 /nfs/dbraw/zinc/94/52/04/489945204.db2.gz CVOZSXQGWOHARS-KBAYOESNSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000462024608 489950975 /nfs/dbraw/zinc/95/09/75/489950975.db2.gz FHRFJJGWDCUWIP-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000420209987 489952898 /nfs/dbraw/zinc/95/28/98/489952898.db2.gz RVAFVVKDXPZBHZ-IAGOWNOFSA-N 2 2 374.485 0.453 20 0 FCADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)N2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000434733985 489954231 /nfs/dbraw/zinc/95/42/31/489954231.db2.gz DHQZEXQLGKVGJE-WMLDXEAASA-N 2 2 362.478 0.677 20 0 FCADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)N2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000434733985 489954234 /nfs/dbraw/zinc/95/42/34/489954234.db2.gz DHQZEXQLGKVGJE-WMLDXEAASA-N 2 2 362.478 0.677 20 0 FCADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC(=O)N2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000434733985 489954238 /nfs/dbraw/zinc/95/42/38/489954238.db2.gz DHQZEXQLGKVGJE-WMLDXEAASA-N 2 2 362.478 0.677 20 0 FCADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)N2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000434733985 489954240 /nfs/dbraw/zinc/95/42/40/489954240.db2.gz DHQZEXQLGKVGJE-WMLDXEAASA-N 2 2 362.478 0.677 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000477291587 489956142 /nfs/dbraw/zinc/95/61/42/489956142.db2.gz AGJNZOORLKBDQR-ZRGWGRIASA-N 2 2 361.490 0.941 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377777208 489957357 /nfs/dbraw/zinc/95/73/57/489957357.db2.gz DIUFVLGEYQZEPH-IAGOWNOFSA-N 2 2 359.474 0.183 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377777208 489957359 /nfs/dbraw/zinc/95/73/59/489957359.db2.gz DIUFVLGEYQZEPH-IAGOWNOFSA-N 2 2 359.474 0.183 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377777214 489957661 /nfs/dbraw/zinc/95/76/61/489957661.db2.gz DIUFVLGEYQZEPH-SJORKVTESA-N 2 2 359.474 0.183 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377777214 489957664 /nfs/dbraw/zinc/95/76/64/489957664.db2.gz DIUFVLGEYQZEPH-SJORKVTESA-N 2 2 359.474 0.183 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000571185303 491291141 /nfs/dbraw/zinc/29/11/41/491291141.db2.gz ZUFCICYWVALTGW-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@@H](C[NH3+])C1 ZINC000420258170 489958760 /nfs/dbraw/zinc/95/87/60/489958760.db2.gz JQXCVYRENNRLSJ-HUUCEWRRSA-N 2 2 367.519 0.581 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+](CCC)C2CC[NH2+]CC2)c(=O)[nH]c1=O ZINC000420308611 489961204 /nfs/dbraw/zinc/96/12/04/489961204.db2.gz CWEULYCTKFLSMY-UHFFFAOYSA-N 2 2 351.451 0.588 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+](CCC)C2CC[NH2+]CC2)c(=O)[nH]c1=O ZINC000420308611 489961206 /nfs/dbraw/zinc/96/12/06/489961206.db2.gz CWEULYCTKFLSMY-UHFFFAOYSA-N 2 2 351.451 0.588 20 0 FCADLP CCC[N@H+](CC(=O)Nc1c(C(=O)OCC)cnn1C)C1CC[NH2+]CC1 ZINC000420326603 489963802 /nfs/dbraw/zinc/96/38/02/489963802.db2.gz XPEUYLAWCHVZTM-UHFFFAOYSA-N 2 2 351.451 0.999 20 0 FCADLP CCC[N@@H+](CC(=O)Nc1c(C(=O)OCC)cnn1C)C1CC[NH2+]CC1 ZINC000420326603 489963804 /nfs/dbraw/zinc/96/38/04/489963804.db2.gz XPEUYLAWCHVZTM-UHFFFAOYSA-N 2 2 351.451 0.999 20 0 FCADLP COC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000434873455 489964401 /nfs/dbraw/zinc/96/44/01/489964401.db2.gz JWAFLBWMKJOTEP-IAGOWNOFSA-N 2 2 356.511 0.848 20 0 FCADLP COC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000434873455 489964403 /nfs/dbraw/zinc/96/44/03/489964403.db2.gz JWAFLBWMKJOTEP-IAGOWNOFSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[NH2+]1 ZINC000420343502 489964425 /nfs/dbraw/zinc/96/44/25/489964425.db2.gz ZHPRAPDZERENID-INIZCTEOSA-N 2 2 358.486 0.559 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000420341761 489964493 /nfs/dbraw/zinc/96/44/93/489964493.db2.gz QDWZOUCXDOAAMR-TZMCWYRMSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000420341761 489964496 /nfs/dbraw/zinc/96/44/96/489964496.db2.gz QDWZOUCXDOAAMR-TZMCWYRMSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000420341757 489964511 /nfs/dbraw/zinc/96/45/11/489964511.db2.gz QDWZOUCXDOAAMR-JSGCOSHPSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000420341757 489964513 /nfs/dbraw/zinc/96/45/13/489964513.db2.gz QDWZOUCXDOAAMR-JSGCOSHPSA-N 2 2 354.476 0.722 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359921 489967236 /nfs/dbraw/zinc/96/72/36/489967236.db2.gz WJPWVARURRJKBV-KBXCAEBGSA-N 2 2 351.447 0.523 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359921 489967241 /nfs/dbraw/zinc/96/72/41/489967241.db2.gz WJPWVARURRJKBV-KBXCAEBGSA-N 2 2 351.447 0.523 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420361587 489967824 /nfs/dbraw/zinc/96/78/24/489967824.db2.gz IBMRMKLUPDVDFJ-IGCXYCKISA-N 2 2 368.503 0.852 20 0 FCADLP c1nc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000420356191 489967902 /nfs/dbraw/zinc/96/79/02/489967902.db2.gz GARKPQJBHVCVFM-KRWDZBQOSA-N 3 2 360.506 0.825 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420360501 489967912 /nfs/dbraw/zinc/96/79/12/489967912.db2.gz WUKHMEBBWYINGQ-SHJQWZHBSA-N 2 2 352.479 0.421 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420360501 489967915 /nfs/dbraw/zinc/96/79/15/489967915.db2.gz WUKHMEBBWYINGQ-SHJQWZHBSA-N 2 2 352.479 0.421 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420368487 489968456 /nfs/dbraw/zinc/96/84/56/489968456.db2.gz ATXPTXCJRVYQOK-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420368487 489968460 /nfs/dbraw/zinc/96/84/60/489968460.db2.gz ATXPTXCJRVYQOK-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420373021 489968534 /nfs/dbraw/zinc/96/85/34/489968534.db2.gz YVXANFVKADMEAG-INIZCTEOSA-N 2 2 362.474 0.881 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420373750 489968600 /nfs/dbraw/zinc/96/86/00/489968600.db2.gz GOKIURYXSIJXET-KRWDZBQOSA-N 2 2 372.473 0.877 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420373750 489968603 /nfs/dbraw/zinc/96/86/03/489968603.db2.gz GOKIURYXSIJXET-KRWDZBQOSA-N 2 2 372.473 0.877 20 0 FCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420373590 489968939 /nfs/dbraw/zinc/96/89/39/489968939.db2.gz MOIPQAFEJRXDFM-ULQDDVLXSA-N 2 2 355.504 0.319 20 0 FCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420373590 489968940 /nfs/dbraw/zinc/96/89/40/489968940.db2.gz MOIPQAFEJRXDFM-ULQDDVLXSA-N 2 2 355.504 0.319 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420380299 489969500 /nfs/dbraw/zinc/96/95/00/489969500.db2.gz NSCIZECVVGMQCK-CQSZACIVSA-N 2 2 374.445 0.988 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420380299 489969504 /nfs/dbraw/zinc/96/95/04/489969504.db2.gz NSCIZECVVGMQCK-CQSZACIVSA-N 2 2 374.445 0.988 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@H]1[C@H](C)CC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000420378825 489969830 /nfs/dbraw/zinc/96/98/30/489969830.db2.gz XGRHSBAPCOUSMF-FMKPAKJESA-N 2 2 362.540 0.139 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420379677 489969864 /nfs/dbraw/zinc/96/98/64/489969864.db2.gz NFUOGRBVLVCSKV-AWEZNQCLSA-N 2 2 372.429 0.799 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420379677 489969865 /nfs/dbraw/zinc/96/98/65/489969865.db2.gz NFUOGRBVLVCSKV-AWEZNQCLSA-N 2 2 372.429 0.799 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000420410616 489972361 /nfs/dbraw/zinc/97/23/61/489972361.db2.gz YDMTUKDFXLXEGV-SJORKVTESA-N 2 2 360.502 0.817 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000420408871 489972852 /nfs/dbraw/zinc/97/28/52/489972852.db2.gz XDXFEMINPBFJKD-UHFFFAOYSA-N 3 2 360.502 0.425 20 0 FCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911084 489977889 /nfs/dbraw/zinc/97/78/89/489977889.db2.gz MKKXUPZQHMMTNP-MSOLQXFVSA-N 2 2 374.533 0.934 20 0 FCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911084 489977890 /nfs/dbraw/zinc/97/78/90/489977890.db2.gz MKKXUPZQHMMTNP-MSOLQXFVSA-N 2 2 374.533 0.934 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556079433 491292699 /nfs/dbraw/zinc/29/26/99/491292699.db2.gz NPASZNXZUKQRJR-CYBMUJFWSA-N 2 2 365.444 0.948 20 0 FCADLP [NH3+]C1(CNS(=O)(=O)N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420470972 489982495 /nfs/dbraw/zinc/98/24/95/489982495.db2.gz ORUSNJGCNTWHTB-UHFFFAOYSA-N 2 2 352.504 0.910 20 0 FCADLP COCC[NH+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000377939926 489983236 /nfs/dbraw/zinc/98/32/36/489983236.db2.gz LCKWFLVWSZHWGZ-UHFFFAOYSA-N 2 2 366.466 0.011 20 0 FCADLP COCCCS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420474829 489983677 /nfs/dbraw/zinc/98/36/77/489983677.db2.gz YZBVTUNYUQPDKP-UHFFFAOYSA-N 2 2 355.504 0.936 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206785 491292925 /nfs/dbraw/zinc/29/29/25/491292925.db2.gz XNTHXYIGGOCPFC-HZPDHXFCSA-N 2 2 359.474 0.504 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206785 491292927 /nfs/dbraw/zinc/29/29/27/491292927.db2.gz XNTHXYIGGOCPFC-HZPDHXFCSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377876 490000534 /nfs/dbraw/zinc/00/05/34/490000534.db2.gz GDKFLCMXFRHBPE-LSDHHAIUSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377876 490000537 /nfs/dbraw/zinc/00/05/37/490000537.db2.gz GDKFLCMXFRHBPE-LSDHHAIUSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000435373461 490000613 /nfs/dbraw/zinc/00/06/13/490000613.db2.gz NLPNLHMLOGYGJH-HOCLYGCPSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000435373461 490000617 /nfs/dbraw/zinc/00/06/17/490000617.db2.gz NLPNLHMLOGYGJH-HOCLYGCPSA-N 2 2 353.488 0.877 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463251010 490007348 /nfs/dbraw/zinc/00/73/48/490007348.db2.gz AZIPHZSBCFRMGQ-UHFFFAOYSA-N 2 2 360.446 0.825 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478184446 490008777 /nfs/dbraw/zinc/00/87/77/490008777.db2.gz VIVDLACMQBMPGW-IRXDYDNUSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478184447 490008880 /nfs/dbraw/zinc/00/88/80/490008880.db2.gz VIVDLACMQBMPGW-SJORKVTESA-N 2 2 356.511 0.441 20 0 FCADLP C[C@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1Cc1ccccc1 ZINC000564208212 491294276 /nfs/dbraw/zinc/29/42/76/491294276.db2.gz ZKZUNNDIISTVCJ-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1Cc1ccccc1 ZINC000564208212 491294278 /nfs/dbraw/zinc/29/42/78/491294278.db2.gz ZKZUNNDIISTVCJ-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420788844 490023090 /nfs/dbraw/zinc/02/30/90/490023090.db2.gz LLGJETBNGOXHAG-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420788844 490023093 /nfs/dbraw/zinc/02/30/93/490023093.db2.gz LLGJETBNGOXHAG-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420901425 490029641 /nfs/dbraw/zinc/02/96/41/490029641.db2.gz KCFZGZVWMZSIEO-UHFFFAOYSA-N 3 2 360.502 0.725 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420901425 490029645 /nfs/dbraw/zinc/02/96/45/490029645.db2.gz KCFZGZVWMZSIEO-UHFFFAOYSA-N 2 2 360.502 0.725 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000556110027 491295315 /nfs/dbraw/zinc/29/53/15/491295315.db2.gz IEDVGDQREUJMOJ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420976568 490037274 /nfs/dbraw/zinc/03/72/74/490037274.db2.gz BBEDOTPGFRBWHT-IBGZPJMESA-N 2 2 358.486 0.850 20 0 FCADLP CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420976568 490037277 /nfs/dbraw/zinc/03/72/77/490037277.db2.gz BBEDOTPGFRBWHT-IBGZPJMESA-N 2 2 358.486 0.850 20 0 FCADLP CCCCNc1cc(NC2CC[NH+](CC(=O)NCCC)CC2)nc(N)[nH+]1 ZINC000439094362 490038859 /nfs/dbraw/zinc/03/88/59/490038859.db2.gz CGKVFNBXRVEEPE-UHFFFAOYSA-N 2 2 363.510 1.095 20 0 FCADLP CCCCNc1cc(NC2CC[NH+](CC(=O)NCCC)CC2)[nH+]c(N)n1 ZINC000439094362 490038862 /nfs/dbraw/zinc/03/88/62/490038862.db2.gz CGKVFNBXRVEEPE-UHFFFAOYSA-N 2 2 363.510 1.095 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421200218 490055931 /nfs/dbraw/zinc/05/59/31/490055931.db2.gz LUVRSJFZJUDZFA-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421200218 490055934 /nfs/dbraw/zinc/05/59/34/490055934.db2.gz LUVRSJFZJUDZFA-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059880 490066125 /nfs/dbraw/zinc/06/61/25/490066125.db2.gz NRPHZUVCVJHLIY-CVEARBPZSA-N 2 2 359.536 0.719 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059880 490066129 /nfs/dbraw/zinc/06/61/29/490066129.db2.gz NRPHZUVCVJHLIY-CVEARBPZSA-N 2 2 359.536 0.719 20 0 FCADLP CCCCN(C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059295 490066220 /nfs/dbraw/zinc/06/62/20/490066220.db2.gz MHRHZQUVQGZMLK-JKSUJKDBSA-N 2 2 359.536 0.863 20 0 FCADLP CCCCN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059295 490066223 /nfs/dbraw/zinc/06/62/23/490066223.db2.gz MHRHZQUVQGZMLK-JKSUJKDBSA-N 2 2 359.536 0.863 20 0 FCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378532483 490081755 /nfs/dbraw/zinc/08/17/55/490081755.db2.gz YENBUMYBFNKNNS-GJZGRUSLSA-N 2 2 355.479 0.629 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000571284603 491297644 /nfs/dbraw/zinc/29/76/44/491297644.db2.gz FSNQXUZSHNKHKG-NEPJUHHUSA-N 2 2 354.476 0.371 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000495659703 490086644 /nfs/dbraw/zinc/08/66/44/490086644.db2.gz YBANWJKFGLQWOK-QGZVFWFLSA-N 2 2 362.449 0.680 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000495659703 490086648 /nfs/dbraw/zinc/08/66/48/490086648.db2.gz YBANWJKFGLQWOK-QGZVFWFLSA-N 2 2 362.449 0.680 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289400 491298042 /nfs/dbraw/zinc/29/80/42/491298042.db2.gz ABOVFFAXAPSWJZ-UYAOXDASSA-N 3 2 361.534 0.886 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289400 491298043 /nfs/dbraw/zinc/29/80/43/491298043.db2.gz ABOVFFAXAPSWJZ-UYAOXDASSA-N 3 2 361.534 0.886 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000519824130 490092871 /nfs/dbraw/zinc/09/28/71/490092871.db2.gz SDESJRWVKVGCBM-CQSZACIVSA-N 2 2 364.515 0.978 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc(C)[nH+]1 ZINC000421724288 490099172 /nfs/dbraw/zinc/09/91/72/490099172.db2.gz ASXBLBJWDCNBRZ-KRWDZBQOSA-N 2 2 350.488 0.868 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCc3ccoc3)CC2)CC1 ZINC000421718591 490099796 /nfs/dbraw/zinc/09/97/96/490099796.db2.gz OEYYUEPQSVMBPV-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCc3ccoc3)CC2)CC1 ZINC000421718591 490099801 /nfs/dbraw/zinc/09/98/01/490099801.db2.gz OEYYUEPQSVMBPV-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)NCC[NH+](C)C ZINC000571307654 491299493 /nfs/dbraw/zinc/29/94/93/491299493.db2.gz JEIZLEBVSGACOR-OAHLLOKOSA-N 2 2 362.474 0.315 20 0 FCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000444705203 490107818 /nfs/dbraw/zinc/10/78/18/490107818.db2.gz MILAGAVDXKUHRB-KDURUIRLSA-N 2 2 361.486 0.492 20 0 FCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000444705203 490107826 /nfs/dbraw/zinc/10/78/26/490107826.db2.gz MILAGAVDXKUHRB-KDURUIRLSA-N 2 2 361.486 0.492 20 0 FCADLP [NH3+]C1(CNS(=O)(=O)N2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000571306391 491299728 /nfs/dbraw/zinc/29/97/28/491299728.db2.gz KFFNRQMTEGPJQD-UHFFFAOYSA-N 2 2 368.503 0.147 20 0 FCADLP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000479764043 490122759 /nfs/dbraw/zinc/12/27/59/490122759.db2.gz RKMOFDZTSFYEHI-RYQLBKOJSA-N 2 2 362.518 0.635 20 0 FCADLP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000479764043 490122764 /nfs/dbraw/zinc/12/27/64/490122764.db2.gz RKMOFDZTSFYEHI-RYQLBKOJSA-N 2 2 362.518 0.635 20 0 FCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000465546984 490128389 /nfs/dbraw/zinc/12/83/89/490128389.db2.gz SNSUQDNQCNPOBJ-KRWDZBQOSA-N 2 2 351.451 0.030 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000465568469 490130623 /nfs/dbraw/zinc/13/06/23/490130623.db2.gz KOLFVRVYNXAMSG-CVEARBPZSA-N 2 2 374.551 0.479 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000465568469 490130629 /nfs/dbraw/zinc/13/06/29/490130629.db2.gz KOLFVRVYNXAMSG-CVEARBPZSA-N 2 2 374.551 0.479 20 0 FCADLP CCC(CC)[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000497019176 490135303 /nfs/dbraw/zinc/13/53/03/490135303.db2.gz LEHHCVXCYLBVJK-ROUUACIJSA-N 2 2 371.522 0.275 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390756396 490138218 /nfs/dbraw/zinc/13/82/18/490138218.db2.gz WHPHCTSUQZMHCG-HOTGVXAUSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390756396 490138226 /nfs/dbraw/zinc/13/82/26/490138226.db2.gz WHPHCTSUQZMHCG-HOTGVXAUSA-N 2 2 353.488 0.529 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000465769922 490141653 /nfs/dbraw/zinc/14/16/53/490141653.db2.gz IPPXRVKUIDNBKY-MRXNPFEDSA-N 2 2 355.527 0.912 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000571350589 491302315 /nfs/dbraw/zinc/30/23/15/491302315.db2.gz WYVDAUDRSKNHAF-YESZJQIVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[N@@H+](C)CC(=O)NC(C)C)o1 ZINC000497387692 490156814 /nfs/dbraw/zinc/15/68/14/490156814.db2.gz NIJXCWXBJADWAJ-UHFFFAOYSA-N 2 2 352.479 0.935 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[N@H+](C)CC(=O)NC(C)C)o1 ZINC000497387692 490156825 /nfs/dbraw/zinc/15/68/25/490156825.db2.gz NIJXCWXBJADWAJ-UHFFFAOYSA-N 2 2 352.479 0.935 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466036236 490161227 /nfs/dbraw/zinc/16/12/27/490161227.db2.gz OODPGOYMKCLPJA-CVEARBPZSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466036236 490161233 /nfs/dbraw/zinc/16/12/33/490161233.db2.gz OODPGOYMKCLPJA-CVEARBPZSA-N 2 2 353.511 0.665 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000497490254 490168320 /nfs/dbraw/zinc/16/83/20/490168320.db2.gz CAPMZQBYWQFHDZ-UHFFFAOYSA-N 2 2 360.458 0.797 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497510545 490170431 /nfs/dbraw/zinc/17/04/31/490170431.db2.gz ZJMLZZNGFQAGRD-KCQAQPDRSA-N 2 2 356.829 0.933 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497510545 490170434 /nfs/dbraw/zinc/17/04/34/490170434.db2.gz ZJMLZZNGFQAGRD-KCQAQPDRSA-N 2 2 356.829 0.933 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N(C)CCOC)CC2)CC1 ZINC000422125029 490176347 /nfs/dbraw/zinc/17/63/47/490176347.db2.gz ZXEJCAOZUQRMBB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N(C)CCOC)CC2)CC1 ZINC000422125029 490176352 /nfs/dbraw/zinc/17/63/52/490176352.db2.gz ZXEJCAOZUQRMBB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000497647214 490188979 /nfs/dbraw/zinc/18/89/79/490188979.db2.gz HYKXMNOSDRMSIF-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000497647214 490188985 /nfs/dbraw/zinc/18/89/85/490188985.db2.gz HYKXMNOSDRMSIF-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839757 490196910 /nfs/dbraw/zinc/19/69/10/490196910.db2.gz RGCGDKBKJUILMG-HOCLYGCPSA-N 2 2 352.479 0.086 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839757 490196914 /nfs/dbraw/zinc/19/69/14/490196914.db2.gz RGCGDKBKJUILMG-HOCLYGCPSA-N 2 2 352.479 0.086 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564440479 491306826 /nfs/dbraw/zinc/30/68/26/491306826.db2.gz KXLNZFBKPAFGFG-HOCLYGCPSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000520987706 490212129 /nfs/dbraw/zinc/21/21/29/490212129.db2.gz HDJYDYYMJBHKMH-IRXDYDNUSA-N 2 2 355.527 0.014 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000497774660 490213228 /nfs/dbraw/zinc/21/32/28/490213228.db2.gz DXRYRXIBALZAGS-ZDUSSCGKSA-N 2 2 363.549 0.226 20 0 FCADLP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000497811544 490217827 /nfs/dbraw/zinc/21/78/27/490217827.db2.gz FBCIURIRXUVQDM-CQSZACIVSA-N 2 2 358.398 0.851 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000556313164 491308840 /nfs/dbraw/zinc/30/88/40/491308840.db2.gz ITOQRHLDAKHBIQ-GOEBONIOSA-N 2 2 373.457 0.816 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000422290954 490234130 /nfs/dbraw/zinc/23/41/30/490234130.db2.gz CIQIZLAAOCKIMO-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000422290954 490234137 /nfs/dbraw/zinc/23/41/37/490234137.db2.gz CIQIZLAAOCKIMO-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1CC(=O)N[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000556359587 491311543 /nfs/dbraw/zinc/31/15/43/491311543.db2.gz STSONPXGPQHADM-HOTGVXAUSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000533566026 490257206 /nfs/dbraw/zinc/25/72/06/490257206.db2.gz OSODKJQHMYVBOA-UHFFFAOYSA-N 2 2 359.474 0.579 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000533570467 490259557 /nfs/dbraw/zinc/25/95/57/490259557.db2.gz QPIZRYDRLYUSBX-INIZCTEOSA-N 2 2 355.527 0.232 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000533570467 490259565 /nfs/dbraw/zinc/25/95/65/490259565.db2.gz QPIZRYDRLYUSBX-INIZCTEOSA-N 2 2 355.527 0.232 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508712 491312674 /nfs/dbraw/zinc/31/26/74/491312674.db2.gz FHLVWUCSPGYVBV-DLBZAZTESA-N 2 2 370.457 0.494 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508712 491312676 /nfs/dbraw/zinc/31/26/76/491312676.db2.gz FHLVWUCSPGYVBV-DLBZAZTESA-N 2 2 370.457 0.494 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCCn3cc[nH+]c3)ccn2)CC1 ZINC000498224686 490274086 /nfs/dbraw/zinc/27/40/86/490274086.db2.gz ADAFKQIPUKJQDC-UHFFFAOYSA-N 2 2 371.445 0.878 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000483048728 490276209 /nfs/dbraw/zinc/27/62/09/490276209.db2.gz NHKBJUKPIQONMZ-OXQOHEQNSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@](C)(O)C1 ZINC000483048728 490276211 /nfs/dbraw/zinc/27/62/11/490276211.db2.gz NHKBJUKPIQONMZ-OXQOHEQNSA-N 2 2 361.486 0.980 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)[C@H](C[NH3+])C1 ZINC000571532927 491313966 /nfs/dbraw/zinc/31/39/66/491313966.db2.gz PTNKXUOCKLJLNW-CQSZACIVSA-N 2 2 374.445 0.771 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)[C@H](C[NH3+])C1 ZINC000571532927 491313968 /nfs/dbraw/zinc/31/39/68/491313968.db2.gz PTNKXUOCKLJLNW-CQSZACIVSA-N 2 2 374.445 0.771 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CC[NH+](Cc2cccs2)CC1 ZINC000447903553 490287387 /nfs/dbraw/zinc/28/73/87/490287387.db2.gz HQCPAAABEAFGMK-JKSUJKDBSA-N 2 2 353.488 0.522 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000564578142 491314952 /nfs/dbraw/zinc/31/49/52/491314952.db2.gz VFGIKCHUEABJPL-OAHLLOKOSA-N 2 2 351.451 0.083 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000521868898 490304285 /nfs/dbraw/zinc/30/42/85/490304285.db2.gz YIZCOELLLVYLTO-UHFFFAOYSA-N 2 2 353.430 0.844 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000547539674 490311294 /nfs/dbraw/zinc/31/12/94/490311294.db2.gz KGELGGDAJWBVFJ-UHFFFAOYSA-N 2 2 355.442 0.423 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000483414496 490315393 /nfs/dbraw/zinc/31/53/93/490315393.db2.gz IRQPOGFWTOFQIU-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000483414496 490315399 /nfs/dbraw/zinc/31/53/99/490315399.db2.gz IRQPOGFWTOFQIU-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C3CCC3)CC1)C2 ZINC000571574654 491317152 /nfs/dbraw/zinc/31/71/52/491317152.db2.gz XYXSPOHTHFLRQP-QGZVFWFLSA-N 2 2 373.501 0.814 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000508383494 490325956 /nfs/dbraw/zinc/32/59/56/490325956.db2.gz CRTMMGRWGSDTQZ-HYVNUMGLSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000508383494 490325957 /nfs/dbraw/zinc/32/59/57/490325957.db2.gz CRTMMGRWGSDTQZ-HYVNUMGLSA-N 2 2 363.506 0.608 20 0 FCADLP CCNC(=O)CN(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508389576 490325976 /nfs/dbraw/zinc/32/59/76/490325976.db2.gz YQRVNHRPBCYZHM-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP C[C@@H]1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@@H](C)C[N@@H+]1C ZINC000408435777 490336362 /nfs/dbraw/zinc/33/63/62/490336362.db2.gz PNEYMONJPQOCOV-CABCVRRESA-N 2 2 367.519 0.547 20 0 FCADLP C[C@@H]1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@@H](C)C[N@H+]1C ZINC000408435777 490336367 /nfs/dbraw/zinc/33/63/67/490336367.db2.gz PNEYMONJPQOCOV-CABCVRRESA-N 2 2 367.519 0.547 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000508703507 490350888 /nfs/dbraw/zinc/35/08/88/490350888.db2.gz YTFSNZZZTHQNJK-UHFFFAOYSA-N 2 2 373.461 0.155 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000522188877 490351006 /nfs/dbraw/zinc/35/10/06/490351006.db2.gz LDWKMDIKUZRLRA-KRWDZBQOSA-N 2 2 350.507 0.779 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000522188877 490351011 /nfs/dbraw/zinc/35/10/11/490351011.db2.gz LDWKMDIKUZRLRA-KRWDZBQOSA-N 2 2 350.507 0.779 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000498858482 490354992 /nfs/dbraw/zinc/35/49/92/490354992.db2.gz UYOBKZDORMMXSN-KRWDZBQOSA-N 2 2 364.490 0.078 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000498858482 490354996 /nfs/dbraw/zinc/35/49/96/490354996.db2.gz UYOBKZDORMMXSN-KRWDZBQOSA-N 2 2 364.490 0.078 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000498934268 490365439 /nfs/dbraw/zinc/36/54/39/490365439.db2.gz AGWZHRLQTPTPHS-IRXDYDNUSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000498934268 490365445 /nfs/dbraw/zinc/36/54/45/490365445.db2.gz AGWZHRLQTPTPHS-IRXDYDNUSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1C[C@H](C)O ZINC000498934268 490365451 /nfs/dbraw/zinc/36/54/51/490365451.db2.gz AGWZHRLQTPTPHS-IRXDYDNUSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1C[C@H](C)O ZINC000498934268 490365459 /nfs/dbraw/zinc/36/54/59/490365459.db2.gz AGWZHRLQTPTPHS-IRXDYDNUSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000498952765 490371997 /nfs/dbraw/zinc/37/19/97/490371997.db2.gz ALQQZUMVVKTOSN-UHFFFAOYSA-N 2 2 373.501 0.969 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000498952765 490372003 /nfs/dbraw/zinc/37/20/03/490372003.db2.gz ALQQZUMVVKTOSN-UHFFFAOYSA-N 2 2 373.501 0.969 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410881831 490374361 /nfs/dbraw/zinc/37/43/61/490374361.db2.gz CPFKLCKMWQOROI-INIZCTEOSA-N 2 2 363.506 1.000 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529648 490377454 /nfs/dbraw/zinc/37/74/54/490377454.db2.gz QRXYXBSVQKSPAG-NVXWUHKLSA-N 2 2 373.505 0.381 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529648 490377467 /nfs/dbraw/zinc/37/74/67/490377467.db2.gz QRXYXBSVQKSPAG-NVXWUHKLSA-N 2 2 373.505 0.381 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000522433155 490378102 /nfs/dbraw/zinc/37/81/02/490378102.db2.gz NLWJQJYHBSDTNG-IRXDYDNUSA-N 2 2 356.511 0.755 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000522433155 490378110 /nfs/dbraw/zinc/37/81/10/490378110.db2.gz NLWJQJYHBSDTNG-IRXDYDNUSA-N 2 2 356.511 0.755 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529642 490378117 /nfs/dbraw/zinc/37/81/17/490378117.db2.gz QRXYXBSVQKSPAG-DOTOQJQBSA-N 2 2 373.505 0.381 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529642 490378126 /nfs/dbraw/zinc/37/81/26/490378126.db2.gz QRXYXBSVQKSPAG-DOTOQJQBSA-N 2 2 373.505 0.381 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499180883 490396137 /nfs/dbraw/zinc/39/61/37/490396137.db2.gz MBGZILLOHXGHPW-ZDUSSCGKSA-N 2 2 350.419 0.598 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000484232106 490400242 /nfs/dbraw/zinc/40/02/42/490400242.db2.gz JRZKKIYHUZYZIU-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+](CCCC1CC[NH+](Cc2nnnn2C)CC1)Cc1nnnn1C ZINC000499251893 490402980 /nfs/dbraw/zinc/40/29/80/490402980.db2.gz DUWBKRRXQSIRFK-UHFFFAOYSA-N 2 2 362.486 0.248 20 0 FCADLP CC[N@@H+](CCCC1CC[NH+](Cc2nnnn2C)CC1)Cc1nnnn1C ZINC000499251893 490402989 /nfs/dbraw/zinc/40/29/89/490402989.db2.gz DUWBKRRXQSIRFK-UHFFFAOYSA-N 2 2 362.486 0.248 20 0 FCADLP CN1CC[N@@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484204 490408891 /nfs/dbraw/zinc/40/88/91/490408891.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484204 490408898 /nfs/dbraw/zinc/40/88/98/490408898.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484204 490408903 /nfs/dbraw/zinc/40/89/03/490408903.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484204 490408907 /nfs/dbraw/zinc/40/89/07/490408907.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484204 490408912 /nfs/dbraw/zinc/40/89/12/490408912.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000468484204 490408915 /nfs/dbraw/zinc/40/89/15/490408915.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000468484204 490408919 /nfs/dbraw/zinc/40/89/19/490408919.db2.gz OQJGTTRVSCXXHI-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422595642 490420884 /nfs/dbraw/zinc/42/08/84/490420884.db2.gz ZTWBMWOWQYGZJO-HNNXBMFYSA-N 2 2 362.474 0.618 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422595642 490420890 /nfs/dbraw/zinc/42/08/90/490420890.db2.gz ZTWBMWOWQYGZJO-HNNXBMFYSA-N 2 2 362.474 0.618 20 0 FCADLP CC1[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000449830355 490431010 /nfs/dbraw/zinc/43/10/10/490431010.db2.gz XGDXOANXSJWHLT-QZTJIDSGSA-N 2 2 360.502 0.482 20 0 FCADLP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000523056897 490434454 /nfs/dbraw/zinc/43/44/54/490434454.db2.gz LIQDWOMMMONEMO-AWEZNQCLSA-N 2 2 358.398 0.851 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640521 490439430 /nfs/dbraw/zinc/43/94/30/490439430.db2.gz VRGCNTKDMVSWCG-XQQFMLRXSA-N 2 2 351.451 0.841 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640521 490439434 /nfs/dbraw/zinc/43/94/34/490439434.db2.gz VRGCNTKDMVSWCG-XQQFMLRXSA-N 2 2 351.451 0.841 20 0 FCADLP CCC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000548257565 490451883 /nfs/dbraw/zinc/45/18/83/490451883.db2.gz MUIGJQYMRYFIPS-HNNXBMFYSA-N 2 2 372.473 0.778 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1)[NH+](CC)CC ZINC000468891940 490460225 /nfs/dbraw/zinc/46/02/25/490460225.db2.gz GTBZRMPPRABIBW-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1)[NH+](CC)CC ZINC000468891823 490460391 /nfs/dbraw/zinc/46/03/91/490460391.db2.gz GTBZRMPPRABIBW-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422709161 490461756 /nfs/dbraw/zinc/46/17/56/490461756.db2.gz JXFDLAGHTVSXBA-MOPGFXCFSA-N 2 2 360.502 0.817 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755786 490471665 /nfs/dbraw/zinc/47/16/65/490471665.db2.gz HBGQHFWDXWAESN-JSGCOSHPSA-N 2 2 361.895 0.975 20 0 FCADLP CNc1nc(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]c2ccccc21 ZINC000450543426 490473173 /nfs/dbraw/zinc/47/31/73/490473173.db2.gz XESOTVUKYNZTKQ-UHFFFAOYSA-N 2 2 356.474 0.919 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000450588474 490476016 /nfs/dbraw/zinc/47/60/16/490476016.db2.gz JZBMQRBVANGFIF-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000450588474 490476018 /nfs/dbraw/zinc/47/60/18/490476018.db2.gz JZBMQRBVANGFIF-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000484943824 490480339 /nfs/dbraw/zinc/48/03/39/490480339.db2.gz GIAQLWZLEYXRFC-OLZOCXBDSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000484943824 490480346 /nfs/dbraw/zinc/48/03/46/490480346.db2.gz GIAQLWZLEYXRFC-OLZOCXBDSA-N 2 2 354.476 0.511 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000564837296 491329741 /nfs/dbraw/zinc/32/97/41/491329741.db2.gz PNSIPAXGCYCNPV-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837262 490482555 /nfs/dbraw/zinc/48/25/55/490482555.db2.gz LRUVRSHFTVDYRG-WBVHZDCISA-N 3 2 354.539 0.970 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000484992023 490487838 /nfs/dbraw/zinc/48/78/38/490487838.db2.gz XACWAZKNUPRMMW-CHWSQXEVSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000484992023 490487844 /nfs/dbraw/zinc/48/78/44/490487844.db2.gz XACWAZKNUPRMMW-CHWSQXEVSA-N 2 2 351.447 0.998 20 0 FCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422910358 490495832 /nfs/dbraw/zinc/49/58/32/490495832.db2.gz HUXGQIMHHGPMFD-SQNIBIBYSA-N 3 2 352.523 0.820 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000500277699 490498050 /nfs/dbraw/zinc/49/80/50/490498050.db2.gz MQYYISISVVXALW-UHFFFAOYSA-N 2 2 373.457 0.520 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000500299977 490501274 /nfs/dbraw/zinc/50/12/74/490501274.db2.gz VEKMVHRAGACAIK-INIZCTEOSA-N 2 2 374.441 0.754 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000535577493 490504406 /nfs/dbraw/zinc/50/44/06/490504406.db2.gz YVIVAXBJPFEPSD-UHFFFAOYSA-N 2 2 364.475 0.670 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980862 490510144 /nfs/dbraw/zinc/51/01/44/490510144.db2.gz RJTSYJVQQSBJOC-YDZRNGNQSA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980862 490510151 /nfs/dbraw/zinc/51/01/51/490510151.db2.gz RJTSYJVQQSBJOC-YDZRNGNQSA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980862 490510158 /nfs/dbraw/zinc/51/01/58/490510158.db2.gz RJTSYJVQQSBJOC-YDZRNGNQSA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980862 490510163 /nfs/dbraw/zinc/51/01/63/490510163.db2.gz RJTSYJVQQSBJOC-YDZRNGNQSA-N 2 2 361.486 0.753 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535655755 490510725 /nfs/dbraw/zinc/51/07/25/490510725.db2.gz REOKSWXHQOIIFI-OAHLLOKOSA-N 2 2 365.478 0.542 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535655755 490510729 /nfs/dbraw/zinc/51/07/29/490510729.db2.gz REOKSWXHQOIIFI-OAHLLOKOSA-N 2 2 365.478 0.542 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423015554 490519196 /nfs/dbraw/zinc/51/91/96/490519196.db2.gz KVHLZJIUTSLTTO-UHFFFAOYSA-N 2 2 352.504 0.836 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000423019985 490521097 /nfs/dbraw/zinc/52/10/97/490521097.db2.gz YDJCMBBYQNGCCI-DZGCQCFKSA-N 2 2 350.488 0.588 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000423021229 490521246 /nfs/dbraw/zinc/52/12/46/490521246.db2.gz BOSJFGZLOGXQFU-SJORKVTESA-N 2 2 360.458 0.078 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000423021229 490521253 /nfs/dbraw/zinc/52/12/53/490521253.db2.gz BOSJFGZLOGXQFU-SJORKVTESA-N 2 2 360.458 0.078 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000423019988 490521311 /nfs/dbraw/zinc/52/13/11/490521311.db2.gz YDJCMBBYQNGCCI-ZFWWWQNUSA-N 2 2 350.488 0.588 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423017151 490521351 /nfs/dbraw/zinc/52/13/51/490521351.db2.gz VNRYSVCGKMZQKP-FQEVSTJZSA-N 2 2 358.486 0.837 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000423029456 490524974 /nfs/dbraw/zinc/52/49/74/490524974.db2.gz AJSBABKQFVDQSL-UHFFFAOYSA-N 2 2 350.438 0.538 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000423029456 490524978 /nfs/dbraw/zinc/52/49/78/490524978.db2.gz AJSBABKQFVDQSL-UHFFFAOYSA-N 2 2 350.438 0.538 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423035691 490525574 /nfs/dbraw/zinc/52/55/74/490525574.db2.gz JREGULUBJVHIRK-QGZVFWFLSA-N 2 2 374.485 0.679 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423035689 490525980 /nfs/dbraw/zinc/52/59/80/490525980.db2.gz JREGULUBJVHIRK-KRWDZBQOSA-N 2 2 374.485 0.679 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423039097 490526883 /nfs/dbraw/zinc/52/68/83/490526883.db2.gz PSFHHIMZDQUKPR-INIZCTEOSA-N 2 2 362.449 0.667 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423039097 490526890 /nfs/dbraw/zinc/52/68/90/490526890.db2.gz PSFHHIMZDQUKPR-INIZCTEOSA-N 2 2 362.449 0.667 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000423052323 490530372 /nfs/dbraw/zinc/53/03/72/490530372.db2.gz QHAZQVUQIUDXKF-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP O=C(C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000423052323 490530381 /nfs/dbraw/zinc/53/03/81/490530381.db2.gz QHAZQVUQIUDXKF-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000524351554 490532748 /nfs/dbraw/zinc/53/27/48/490532748.db2.gz GYUVCVIIARCZHL-UHFFFAOYSA-N 2 2 353.386 0.999 20 0 FCADLP O=C1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@H]2CCCCN12 ZINC000511017339 490554748 /nfs/dbraw/zinc/55/47/48/490554748.db2.gz ZJXWHIXJKUHQCG-ZWKOTPCHSA-N 2 2 350.507 0.526 20 0 FCADLP O=C1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@H]2CCCCN12 ZINC000511017339 490554752 /nfs/dbraw/zinc/55/47/52/490554752.db2.gz ZJXWHIXJKUHQCG-ZWKOTPCHSA-N 2 2 350.507 0.526 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485798147 490559483 /nfs/dbraw/zinc/55/94/83/490559483.db2.gz NALJVRPFKCVJNP-HNNXBMFYSA-N 2 2 371.445 0.364 20 0 FCADLP CN(C(=O)Cc1ccc(C(N)=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683115296 493333860 /nfs/dbraw/zinc/33/38/60/493333860.db2.gz CDPDWJAQZRPQHW-GOSISDBHSA-N 2 2 358.486 0.955 20 0 FCADLP CN(C(=O)Cc1ccc(C(N)=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683115296 493333863 /nfs/dbraw/zinc/33/38/63/493333863.db2.gz CDPDWJAQZRPQHW-GOSISDBHSA-N 2 2 358.486 0.955 20 0 FCADLP Cn1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(-c2ccncc2)n1 ZINC000486014713 490583809 /nfs/dbraw/zinc/58/38/09/490583809.db2.gz CQMIABUKYMGJQL-KRWDZBQOSA-N 2 2 354.458 0.878 20 0 FCADLP Cn1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(-c2ccncc2)n1 ZINC000486014713 490583814 /nfs/dbraw/zinc/58/38/14/490583814.db2.gz CQMIABUKYMGJQL-KRWDZBQOSA-N 2 2 354.458 0.878 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCC[C@H]1O ZINC000511587070 490604622 /nfs/dbraw/zinc/60/46/22/490604622.db2.gz UEQBCCRIFIJUDK-RTBURBONSA-N 2 2 361.486 0.980 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCC[C@H]1O ZINC000511587070 490604627 /nfs/dbraw/zinc/60/46/27/490604627.db2.gz UEQBCCRIFIJUDK-RTBURBONSA-N 2 2 361.486 0.980 20 0 FCADLP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000525449863 490606113 /nfs/dbraw/zinc/60/61/13/490606113.db2.gz CDMQRUXUDPUODC-SFHVURJKSA-N 3 2 370.586 0.393 20 0 FCADLP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000525449862 490606157 /nfs/dbraw/zinc/60/61/57/490606157.db2.gz CDMQRUXUDPUODC-GOSISDBHSA-N 3 2 370.586 0.393 20 0 FCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486440131 490625261 /nfs/dbraw/zinc/62/52/61/490625261.db2.gz ACMRNRSYAZHZDH-XGHPGWEVSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486440131 490625271 /nfs/dbraw/zinc/62/52/71/490625271.db2.gz ACMRNRSYAZHZDH-XGHPGWEVSA-N 2 2 350.507 0.966 20 0 FCADLP Cc1csc2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000486442828 490626597 /nfs/dbraw/zinc/62/65/97/490626597.db2.gz QFBJMXANWJMZAK-AWEZNQCLSA-N 2 2 361.471 0.461 20 0 FCADLP Cc1csc2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000486442828 490626602 /nfs/dbraw/zinc/62/66/02/490626602.db2.gz QFBJMXANWJMZAK-AWEZNQCLSA-N 2 2 361.471 0.461 20 0 FCADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486440920 490626926 /nfs/dbraw/zinc/62/69/26/490626926.db2.gz DAKDJTBVLWPCMX-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486440920 490626931 /nfs/dbraw/zinc/62/69/31/490626931.db2.gz DAKDJTBVLWPCMX-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000550120322 490627068 /nfs/dbraw/zinc/62/70/68/490627068.db2.gz LPURZLNWKKUQBW-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634333 490627506 /nfs/dbraw/zinc/62/75/06/490627506.db2.gz CSVRZGWRGBBFFW-RDJZCZTQSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634333 490627510 /nfs/dbraw/zinc/62/75/10/490627510.db2.gz CSVRZGWRGBBFFW-RDJZCZTQSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501634333 490627513 /nfs/dbraw/zinc/62/75/13/490627513.db2.gz CSVRZGWRGBBFFW-RDJZCZTQSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501634333 490627515 /nfs/dbraw/zinc/62/75/15/490627515.db2.gz CSVRZGWRGBBFFW-RDJZCZTQSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000486453356 490628748 /nfs/dbraw/zinc/62/87/48/490628748.db2.gz FLZKAVULMWBILD-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000486453356 490628752 /nfs/dbraw/zinc/62/87/52/490628752.db2.gz FLZKAVULMWBILD-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486460376 490633245 /nfs/dbraw/zinc/63/32/45/490633245.db2.gz MTAARGIFVJXJBI-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486460376 490633251 /nfs/dbraw/zinc/63/32/51/490633251.db2.gz MTAARGIFVJXJBI-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460030 490633731 /nfs/dbraw/zinc/63/37/31/490633731.db2.gz AGQMVRCUGIBQKY-WMLDXEAASA-N 2 2 362.449 0.727 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460030 490633736 /nfs/dbraw/zinc/63/37/36/490633736.db2.gz AGQMVRCUGIBQKY-WMLDXEAASA-N 2 2 362.449 0.727 20 0 FCADLP CC[C@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000511892131 490634903 /nfs/dbraw/zinc/63/49/03/490634903.db2.gz SUGDGSOGUHPDLS-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486466481 490635796 /nfs/dbraw/zinc/63/57/96/490635796.db2.gz YELFQXGZORCTDF-QGZVFWFLSA-N 2 2 373.457 0.480 20 0 FCADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486466481 490635799 /nfs/dbraw/zinc/63/57/99/490635799.db2.gz YELFQXGZORCTDF-QGZVFWFLSA-N 2 2 373.457 0.480 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000537026493 490639901 /nfs/dbraw/zinc/63/99/01/490639901.db2.gz IXYAOXMNXNUJTL-OAGGEKHMSA-N 2 2 370.494 0.374 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000537026493 490639907 /nfs/dbraw/zinc/63/99/07/490639907.db2.gz IXYAOXMNXNUJTL-OAGGEKHMSA-N 2 2 370.494 0.374 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000537026494 490640147 /nfs/dbraw/zinc/64/01/47/490640147.db2.gz IXYAOXMNXNUJTL-XHSDSOJGSA-N 2 2 370.494 0.374 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000537026494 490640151 /nfs/dbraw/zinc/64/01/51/490640151.db2.gz IXYAOXMNXNUJTL-XHSDSOJGSA-N 2 2 370.494 0.374 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000550220619 490644071 /nfs/dbraw/zinc/64/40/71/490644071.db2.gz QLURXYICILFLRB-UHFFFAOYSA-N 2 2 355.442 0.961 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000550278222 490651160 /nfs/dbraw/zinc/65/11/60/490651160.db2.gz GYCMMNFIJATZDN-QGZVFWFLSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)CSCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000512100212 490656988 /nfs/dbraw/zinc/65/69/88/490656988.db2.gz OSGVNLDHRUTFNU-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)CSCC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000512100212 490656991 /nfs/dbraw/zinc/65/69/91/490656991.db2.gz OSGVNLDHRUTFNU-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CSCC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000512100212 490656997 /nfs/dbraw/zinc/65/69/97/490656997.db2.gz OSGVNLDHRUTFNU-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CSCC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000512100212 490656999 /nfs/dbraw/zinc/65/69/99/490656999.db2.gz OSGVNLDHRUTFNU-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@@H]4NC(=O)C4(C)C)CC3)cn2)CC1 ZINC000572016032 491343228 /nfs/dbraw/zinc/34/32/28/491343228.db2.gz PKNCXMRGFQZWRN-KRWDZBQOSA-N 2 2 372.517 0.965 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000572027022 491343623 /nfs/dbraw/zinc/34/36/23/491343623.db2.gz UNFMTPJOFFNQAW-INIZCTEOSA-N 2 2 363.458 0.557 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000572027022 491343624 /nfs/dbraw/zinc/34/36/24/491343624.db2.gz UNFMTPJOFFNQAW-INIZCTEOSA-N 2 2 363.458 0.557 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000572028851 491343739 /nfs/dbraw/zinc/34/37/39/491343739.db2.gz IIUZKMUBOZZMND-IIDMSEBBSA-N 2 2 370.515 0.791 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000550367359 490665688 /nfs/dbraw/zinc/66/56/88/490665688.db2.gz GYISGMQAZVMMJN-KRWDZBQOSA-N 2 2 374.485 0.721 20 0 FCADLP CC[N@H+](C)CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2 ZINC000537277886 490665759 /nfs/dbraw/zinc/66/57/59/490665759.db2.gz CDCVVDYQLDLVDR-ROUUACIJSA-N 2 2 373.501 0.836 20 0 FCADLP CC[N@@H+](C)CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[NH+]1C2 ZINC000537277886 490665764 /nfs/dbraw/zinc/66/57/64/490665764.db2.gz CDCVVDYQLDLVDR-ROUUACIJSA-N 2 2 373.501 0.836 20 0 FCADLP CC[NH+](C)CCNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2 ZINC000537277886 490665770 /nfs/dbraw/zinc/66/57/70/490665770.db2.gz CDCVVDYQLDLVDR-ROUUACIJSA-N 2 2 373.501 0.836 20 0 FCADLP CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000572029636 491344185 /nfs/dbraw/zinc/34/41/85/491344185.db2.gz RVQXGRYXTBXGHQ-GOSISDBHSA-N 2 2 367.515 0.277 20 0 FCADLP CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000572029636 491344186 /nfs/dbraw/zinc/34/41/86/491344186.db2.gz RVQXGRYXTBXGHQ-GOSISDBHSA-N 2 2 367.515 0.277 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000550444109 490670620 /nfs/dbraw/zinc/67/06/20/490670620.db2.gz UJXLSFVXBFZFLN-UHFFFAOYSA-N 2 2 372.473 0.725 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000550444109 490670624 /nfs/dbraw/zinc/67/06/24/490670624.db2.gz UJXLSFVXBFZFLN-UHFFFAOYSA-N 2 2 372.473 0.725 20 0 FCADLP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000556952699 491344945 /nfs/dbraw/zinc/34/49/45/491344945.db2.gz LEDRHJSTZBXVDV-IAGOWNOFSA-N 2 2 360.458 0.843 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000550582310 490678183 /nfs/dbraw/zinc/67/81/83/490678183.db2.gz HFONNIWMIMBDID-HOTGVXAUSA-N 2 2 370.538 0.839 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000550582310 490678187 /nfs/dbraw/zinc/67/81/87/490678187.db2.gz HFONNIWMIMBDID-HOTGVXAUSA-N 2 2 370.538 0.839 20 0 FCADLP COCCO[C@@H]1COCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000486891500 490678471 /nfs/dbraw/zinc/67/84/71/490678471.db2.gz CFOQYAMHYZQGSV-DLBZAZTESA-N 2 2 372.510 0.132 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000527021814 490693482 /nfs/dbraw/zinc/69/34/82/490693482.db2.gz JFJQTYYLQWIWCO-UHFFFAOYSA-N 2 2 358.446 0.817 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000502555603 490709274 /nfs/dbraw/zinc/70/92/74/490709274.db2.gz AGHHPYLNVBDUTK-KRWDZBQOSA-N 2 2 371.503 0.064 20 0 FCADLP O=C(NCC[NH+]1CCC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000502594457 490711688 /nfs/dbraw/zinc/71/16/88/490711688.db2.gz KRMWBOVOKDCZEA-UHFFFAOYSA-N 2 2 362.474 0.903 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008943 491349177 /nfs/dbraw/zinc/34/91/77/491349177.db2.gz GZJRXIUTUIXLQW-FUHWJXTLSA-N 2 2 356.470 0.855 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008943 491349179 /nfs/dbraw/zinc/34/91/79/491349179.db2.gz GZJRXIUTUIXLQW-FUHWJXTLSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008943 491349181 /nfs/dbraw/zinc/34/91/81/491349181.db2.gz GZJRXIUTUIXLQW-FUHWJXTLSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008943 491349182 /nfs/dbraw/zinc/34/91/82/491349182.db2.gz GZJRXIUTUIXLQW-FUHWJXTLSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+](C)C1(CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CCC1 ZINC000527323257 490717294 /nfs/dbraw/zinc/71/72/94/490717294.db2.gz JOFGMIYIXAVCMN-UHFFFAOYSA-N 2 2 367.519 0.914 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@@H]3CC[NH2+]CC3(F)F)CC2)cc[nH+]1 ZINC000572119207 491349651 /nfs/dbraw/zinc/34/96/51/491349651.db2.gz OPUSDEZHEIYFMX-LBPRGKRZSA-N 2 2 354.405 0.436 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000557014585 491349808 /nfs/dbraw/zinc/34/98/08/491349808.db2.gz IEODBNIXXFBYMR-UONOGXRCSA-N 2 2 350.467 0.071 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCC[NH+]2C)cn1 ZINC000527447035 490725101 /nfs/dbraw/zinc/72/51/01/490725101.db2.gz FDNYYQLIXKWACW-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000527447035 490725106 /nfs/dbraw/zinc/72/51/06/490725106.db2.gz FDNYYQLIXKWACW-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC000527447035 490725109 /nfs/dbraw/zinc/72/51/09/490725109.db2.gz FDNYYQLIXKWACW-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000513463755 490731114 /nfs/dbraw/zinc/73/11/14/490731114.db2.gz PVSXBSGWCNZLTL-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513482462 490733359 /nfs/dbraw/zinc/73/33/59/490733359.db2.gz FVAKRIHVYISESA-HNNXBMFYSA-N 2 2 356.511 0.260 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000513572864 490738766 /nfs/dbraw/zinc/73/87/66/490738766.db2.gz RDSIBKAGTKYFOT-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000513572864 490738768 /nfs/dbraw/zinc/73/87/68/490738768.db2.gz RDSIBKAGTKYFOT-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000513806239 490748727 /nfs/dbraw/zinc/74/87/27/490748727.db2.gz FVRVSNRYZWDRKJ-SJORKVTESA-N 2 2 353.507 0.981 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000572147327 491351926 /nfs/dbraw/zinc/35/19/26/491351926.db2.gz MPLPGEIFDXPVCH-ULQDDVLXSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000572147327 491351929 /nfs/dbraw/zinc/35/19/29/491351929.db2.gz MPLPGEIFDXPVCH-ULQDDVLXSA-N 2 2 366.506 0.299 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144612 491352039 /nfs/dbraw/zinc/35/20/39/491352039.db2.gz JBILRECPJVWWRJ-ATZDWAIDSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144612 491352042 /nfs/dbraw/zinc/35/20/42/491352042.db2.gz JBILRECPJVWWRJ-ATZDWAIDSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572144612 491352044 /nfs/dbraw/zinc/35/20/44/491352044.db2.gz JBILRECPJVWWRJ-ATZDWAIDSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572144612 491352047 /nfs/dbraw/zinc/35/20/47/491352047.db2.gz JBILRECPJVWWRJ-ATZDWAIDSA-N 2 2 358.486 0.976 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000565032814 491346780 /nfs/dbraw/zinc/34/67/80/491346780.db2.gz UOXOGFSIOUXACU-OFQRWUPVSA-N 2 2 354.495 0.106 20 0 FCADLP C[N@H+](CC(=O)NCCCN1CCCCCC1=O)C1CC[NH+](CCO)CC1 ZINC000503588711 490764698 /nfs/dbraw/zinc/76/46/98/490764698.db2.gz LLYUCCLYYPTECC-UHFFFAOYSA-N 2 2 368.522 0.284 20 0 FCADLP C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)C1CC[NH+](CCO)CC1 ZINC000503588711 490764703 /nfs/dbraw/zinc/76/47/03/490764703.db2.gz LLYUCCLYYPTECC-UHFFFAOYSA-N 2 2 368.522 0.284 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1)[NH+]1CCOCC1 ZINC000503667495 490769791 /nfs/dbraw/zinc/76/97/91/490769791.db2.gz RKXRXRXXXLTGFZ-HNNXBMFYSA-N 2 2 360.458 0.840 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000488779881 490775627 /nfs/dbraw/zinc/77/56/27/490775627.db2.gz GJPBCACZOZUIIR-OAHLLOKOSA-N 2 2 358.486 0.955 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000488779881 490775629 /nfs/dbraw/zinc/77/56/29/490775629.db2.gz GJPBCACZOZUIIR-OAHLLOKOSA-N 2 2 358.486 0.955 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1)C1CC1 ZINC000488920145 490782218 /nfs/dbraw/zinc/78/22/18/490782218.db2.gz PRYWUMDUBYVNCG-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1)C1CC1 ZINC000488920145 490782221 /nfs/dbraw/zinc/78/22/21/490782221.db2.gz PRYWUMDUBYVNCG-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000539729118 490793864 /nfs/dbraw/zinc/79/38/64/490793864.db2.gz ZJFAVKMVNPFNQH-UHFFFAOYSA-N 2 2 351.451 0.127 20 0 FCADLP CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000539729118 490793865 /nfs/dbraw/zinc/79/38/65/490793865.db2.gz ZJFAVKMVNPFNQH-UHFFFAOYSA-N 2 2 351.451 0.127 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000514862608 490794465 /nfs/dbraw/zinc/79/44/65/490794465.db2.gz AHHSFWRGIKDVMH-WOYTXXSLSA-N 2 2 371.547 0.860 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000514862608 490794466 /nfs/dbraw/zinc/79/44/66/490794466.db2.gz AHHSFWRGIKDVMH-WOYTXXSLSA-N 2 2 371.547 0.860 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000514876230 490794689 /nfs/dbraw/zinc/79/46/89/490794689.db2.gz UJBGFODVDRMBHM-MRXNPFEDSA-N 2 2 373.501 0.887 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000514876230 490794691 /nfs/dbraw/zinc/79/46/91/490794691.db2.gz UJBGFODVDRMBHM-MRXNPFEDSA-N 2 2 373.501 0.887 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+](CC(C)(C)O)CC1)n2C ZINC000539785361 490795788 /nfs/dbraw/zinc/79/57/88/490795788.db2.gz DEMQPQHZXJBFQL-UHFFFAOYSA-N 2 2 360.462 0.563 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000557162628 491357222 /nfs/dbraw/zinc/35/72/22/491357222.db2.gz NZYHTRGSNKDEIF-QGZVFWFLSA-N 2 2 354.520 0.803 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000540245322 490810987 /nfs/dbraw/zinc/81/09/87/490810987.db2.gz QYZPQHMSIFNFJB-IAGOWNOFSA-N 2 2 369.506 0.435 20 0 FCADLP C[N@H+]1CC=C(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000540541906 490826987 /nfs/dbraw/zinc/82/69/87/490826987.db2.gz PEVVMQAHMAGVLW-UHFFFAOYSA-N 2 2 371.485 0.889 20 0 FCADLP C[N@@H+]1CC=C(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000540541906 490826989 /nfs/dbraw/zinc/82/69/89/490826989.db2.gz PEVVMQAHMAGVLW-UHFFFAOYSA-N 2 2 371.485 0.889 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C(=O)NC[C@@H]3CCS(=O)(=O)C3)n2c1 ZINC000540601798 490830118 /nfs/dbraw/zinc/83/01/18/490830118.db2.gz FMHRGKBQWKCSNL-KGLIPLIRSA-N 2 2 364.471 0.672 20 0 FCADLP CCc1cc(N2CCC[C@@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2)ncn1 ZINC000515811111 490839386 /nfs/dbraw/zinc/83/93/86/490839386.db2.gz RHPFSHXPASCNNX-CVEARBPZSA-N 2 2 361.494 0.292 20 0 FCADLP CCc1cc(N2CCC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)ncn1 ZINC000515811111 490839389 /nfs/dbraw/zinc/83/93/89/490839389.db2.gz RHPFSHXPASCNNX-CVEARBPZSA-N 2 2 361.494 0.292 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000515810830 490839422 /nfs/dbraw/zinc/83/94/22/490839422.db2.gz IXYZESAXYFWWSS-NVAPOSRTSA-N 2 2 357.502 0.931 20 0 FCADLP C[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[NH+]1CCN(C)CC1 ZINC000572301300 491361182 /nfs/dbraw/zinc/36/11/82/491361182.db2.gz AULPDKLKBVXWPZ-NVXWUHKLSA-N 2 2 354.564 0.956 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529290901 490848217 /nfs/dbraw/zinc/84/82/17/490848217.db2.gz FTJMXDJVKKTCJT-RDJZCZTQSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529305071 490848915 /nfs/dbraw/zinc/84/89/15/490848915.db2.gz HMOSJXKEGLNLQM-SJLPKXTDSA-N 2 2 367.538 0.422 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000529309215 490849276 /nfs/dbraw/zinc/84/92/76/490849276.db2.gz IXKQWMFUMIPWQT-QGZVFWFLSA-N 2 2 365.522 0.570 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000529355633 490856308 /nfs/dbraw/zinc/85/63/08/490856308.db2.gz MJPUAXHJXANXCF-JYJNAYRXSA-N 2 2 364.469 0.916 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000529355633 490856310 /nfs/dbraw/zinc/85/63/10/490856310.db2.gz MJPUAXHJXANXCF-JYJNAYRXSA-N 2 2 364.469 0.916 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000529377765 490858352 /nfs/dbraw/zinc/85/83/52/490858352.db2.gz YPDXIPHCUIRVHQ-HNNXBMFYSA-N 2 2 358.446 0.150 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000516327018 490860580 /nfs/dbraw/zinc/86/05/80/490860580.db2.gz LMYFLQBXRGTRLL-VQHPVUNQSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000516327018 490860583 /nfs/dbraw/zinc/86/05/83/490860583.db2.gz LMYFLQBXRGTRLL-VQHPVUNQSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000557249671 491362477 /nfs/dbraw/zinc/36/24/77/491362477.db2.gz QHDLEEZPYKNSHY-HOTGVXAUSA-N 2 2 363.462 0.067 20 0 FCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000541548485 490865981 /nfs/dbraw/zinc/86/59/81/490865981.db2.gz LPQROXZLPYLBIU-HOTGVXAUSA-N 2 2 368.503 0.691 20 0 FCADLP COCCOc1cc2c(cc1C[N@@H+]1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)OCO2 ZINC000565233083 491362602 /nfs/dbraw/zinc/36/26/02/491362602.db2.gz IXCSYHKSNJGZAV-UONOGXRCSA-N 2 2 363.414 0.184 20 0 FCADLP COCCOc1cc2c(cc1C[N@H+]1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)OCO2 ZINC000565233083 491362604 /nfs/dbraw/zinc/36/26/04/491362604.db2.gz IXCSYHKSNJGZAV-UONOGXRCSA-N 2 2 363.414 0.184 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000516562186 490868096 /nfs/dbraw/zinc/86/80/96/490868096.db2.gz DFTGEZMFJHRWSM-FGTMMUONSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000516562186 490868098 /nfs/dbraw/zinc/86/80/98/490868098.db2.gz DFTGEZMFJHRWSM-FGTMMUONSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)[C@@H](C[NH3+])C1 ZINC000516634586 490871947 /nfs/dbraw/zinc/87/19/47/490871947.db2.gz RIWCPOWDOUUKCS-AWEZNQCLSA-N 2 2 365.444 0.935 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)[C@@H](C[NH3+])C1 ZINC000516634586 490871950 /nfs/dbraw/zinc/87/19/50/490871950.db2.gz RIWCPOWDOUUKCS-AWEZNQCLSA-N 2 2 365.444 0.935 20 0 FCADLP CC[N@H+](Cc1coc(S(C)(=O)=O)c1)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC000530230023 490894729 /nfs/dbraw/zinc/89/47/29/490894729.db2.gz CLPGGWYEHPFVEN-CYBMUJFWSA-N 2 2 357.476 0.715 20 0 FCADLP CC[N@@H+](Cc1coc(S(C)(=O)=O)c1)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC000530230023 490894730 /nfs/dbraw/zinc/89/47/30/490894730.db2.gz CLPGGWYEHPFVEN-CYBMUJFWSA-N 2 2 357.476 0.715 20 0 FCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361242 490901496 /nfs/dbraw/zinc/90/14/96/490901496.db2.gz NMGVYQCWJWDFTC-CRAIPNDOSA-N 2 2 359.470 0.721 20 0 FCADLP C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361242 490901499 /nfs/dbraw/zinc/90/14/99/490901499.db2.gz NMGVYQCWJWDFTC-CRAIPNDOSA-N 2 2 359.470 0.721 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000542761783 490907590 /nfs/dbraw/zinc/90/75/90/490907590.db2.gz UMSGJISFJSWWCN-HOTGVXAUSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000542761783 490907592 /nfs/dbraw/zinc/90/75/92/490907592.db2.gz UMSGJISFJSWWCN-HOTGVXAUSA-N 2 2 374.551 0.621 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000530528119 490910591 /nfs/dbraw/zinc/91/05/91/490910591.db2.gz CMCHKGLYLFBONH-GOSISDBHSA-N 2 2 352.523 0.727 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000517567213 490912649 /nfs/dbraw/zinc/91/26/49/490912649.db2.gz CQNOFWNHALAFGE-HNNXBMFYSA-N 2 2 355.442 0.293 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000517567213 490912651 /nfs/dbraw/zinc/91/26/51/490912651.db2.gz CQNOFWNHALAFGE-HNNXBMFYSA-N 2 2 355.442 0.293 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000530571154 490913511 /nfs/dbraw/zinc/91/35/11/490913511.db2.gz ZMCPEIYJQCUYNJ-KRWDZBQOSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000530571154 490913513 /nfs/dbraw/zinc/91/35/13/490913513.db2.gz ZMCPEIYJQCUYNJ-KRWDZBQOSA-N 2 2 361.490 0.431 20 0 FCADLP CN(c1ncc(Cl)cn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000530643721 490917163 /nfs/dbraw/zinc/91/71/63/490917163.db2.gz AGEQJYGKDIPXTM-UHFFFAOYSA-N 2 2 366.897 0.805 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000517743768 490919245 /nfs/dbraw/zinc/91/92/45/490919245.db2.gz LFDGGPHMECCOPO-UHFFFAOYSA-N 2 2 370.457 0.784 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@]34CCNC4=O)CC2)c1 ZINC000517755229 490919656 /nfs/dbraw/zinc/91/96/56/490919656.db2.gz RUJJYYKQFOJCMC-NRFANRHFSA-N 2 2 370.497 0.994 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@]34CCNC4=O)CC2)c1 ZINC000517755229 490919658 /nfs/dbraw/zinc/91/96/58/490919658.db2.gz RUJJYYKQFOJCMC-NRFANRHFSA-N 2 2 370.497 0.994 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000517783995 490921042 /nfs/dbraw/zinc/92/10/42/490921042.db2.gz FYOFDKWANSQLIO-AEFFLSMTSA-N 2 2 352.523 0.460 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000517783995 490921044 /nfs/dbraw/zinc/92/10/44/490921044.db2.gz FYOFDKWANSQLIO-AEFFLSMTSA-N 2 2 352.523 0.460 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000530898468 490930972 /nfs/dbraw/zinc/93/09/72/490930972.db2.gz WSLPFSWXPGREOT-UHFFFAOYSA-N 2 2 369.491 0.633 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000519007607 490958761 /nfs/dbraw/zinc/95/87/61/490958761.db2.gz ZITDXTLCYVSLMP-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000519007607 490958764 /nfs/dbraw/zinc/95/87/64/490958764.db2.gz ZITDXTLCYVSLMP-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000519007607 490958767 /nfs/dbraw/zinc/95/87/67/490958767.db2.gz ZITDXTLCYVSLMP-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000519007607 490958769 /nfs/dbraw/zinc/95/87/69/490958769.db2.gz ZITDXTLCYVSLMP-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000519208010 490965303 /nfs/dbraw/zinc/96/53/03/490965303.db2.gz NMSYJJCUPJKLBV-HNNXBMFYSA-N 2 2 363.462 0.643 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000519208010 490965305 /nfs/dbraw/zinc/96/53/05/490965305.db2.gz NMSYJJCUPJKLBV-HNNXBMFYSA-N 2 2 363.462 0.643 20 0 FCADLP Cn1[nH]c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)nc1=O ZINC000544394327 490967503 /nfs/dbraw/zinc/96/75/03/490967503.db2.gz NEQWQKZUXVZXHR-UHFFFAOYSA-N 2 2 352.483 0.024 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC1(O)CCC1 ZINC000544750064 490979111 /nfs/dbraw/zinc/97/91/11/490979111.db2.gz NNMLDUVKPBMGLN-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC1(O)CCC1 ZINC000544750064 490979113 /nfs/dbraw/zinc/97/91/13/490979113.db2.gz NNMLDUVKPBMGLN-UHFFFAOYSA-N 2 2 353.507 0.985 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000519640526 490981053 /nfs/dbraw/zinc/98/10/53/490981053.db2.gz DKESJCPSXQYNIH-DOTOQJQBSA-N 3 2 366.531 0.840 20 0 FCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000596048978 491973786 /nfs/dbraw/zinc/97/37/86/491973786.db2.gz XEOOJUYPVRTEEJ-PWSUYJOCSA-N 2 2 366.384 0.606 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554056822 491173273 /nfs/dbraw/zinc/17/32/73/491173273.db2.gz KQXPTPDGFKSOAM-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554056822 491173276 /nfs/dbraw/zinc/17/32/76/491173276.db2.gz KQXPTPDGFKSOAM-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554056823 491173721 /nfs/dbraw/zinc/17/37/21/491173721.db2.gz KQXPTPDGFKSOAM-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554056823 491173722 /nfs/dbraw/zinc/17/37/22/491173722.db2.gz KQXPTPDGFKSOAM-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000569641605 491177300 /nfs/dbraw/zinc/17/73/00/491177300.db2.gz SRBZMEGLEDSALE-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569641605 491177304 /nfs/dbraw/zinc/17/73/04/491177304.db2.gz SRBZMEGLEDSALE-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000569698680 491182607 /nfs/dbraw/zinc/18/26/07/491182607.db2.gz SBIGURFTRKKJPZ-HBUWYVDXSA-N 2 2 351.495 0.308 20 0 FCADLP CC(C)(CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCOCC1 ZINC000562743660 491185954 /nfs/dbraw/zinc/18/59/54/491185954.db2.gz LCGUWSNRDCAUOI-UHFFFAOYSA-N 2 2 360.458 0.498 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000565480453 491379503 /nfs/dbraw/zinc/37/95/03/491379503.db2.gz DJYKKWMLZKMLEU-HUUCEWRRSA-N 2 2 357.458 0.984 20 0 FCADLP [NH3+]C[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCCO1 ZINC000572606609 491381092 /nfs/dbraw/zinc/38/10/92/491381092.db2.gz ZTXLORKWYOVWKN-AWEZNQCLSA-N 2 2 353.492 0.727 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000557560901 491382781 /nfs/dbraw/zinc/38/27/81/491382781.db2.gz LTPXWQTYGMRFBA-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000557560901 491382782 /nfs/dbraw/zinc/38/27/82/491382782.db2.gz LTPXWQTYGMRFBA-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000557560765 491382941 /nfs/dbraw/zinc/38/29/41/491382941.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000557560765 491382942 /nfs/dbraw/zinc/38/29/42/491382942.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000557560765 491382945 /nfs/dbraw/zinc/38/29/45/491382945.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000557560765 491382948 /nfs/dbraw/zinc/38/29/48/491382948.db2.gz DXRUIOGPWJQALW-OAHLLOKOSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000557560898 491383226 /nfs/dbraw/zinc/38/32/26/491383226.db2.gz LTPXWQTYGMRFBA-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000557560898 491383227 /nfs/dbraw/zinc/38/32/27/491383227.db2.gz LTPXWQTYGMRFBA-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000557560900 491383367 /nfs/dbraw/zinc/38/33/67/491383367.db2.gz LTPXWQTYGMRFBA-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000557560900 491383369 /nfs/dbraw/zinc/38/33/69/491383369.db2.gz LTPXWQTYGMRFBA-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000572662324 491385354 /nfs/dbraw/zinc/38/53/54/491385354.db2.gz IFFGZVIEQKWYSS-JKIFEVAISA-N 2 2 362.478 0.947 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592994 491387159 /nfs/dbraw/zinc/38/71/59/491387159.db2.gz BAWOIOUCRTZCKR-ZIAGYGMSSA-N 2 2 368.432 0.937 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592994 491387162 /nfs/dbraw/zinc/38/71/62/491387162.db2.gz BAWOIOUCRTZCKR-ZIAGYGMSSA-N 2 2 368.432 0.937 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000572699679 491387300 /nfs/dbraw/zinc/38/73/00/491387300.db2.gz BPZKPMDTHLAAJA-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000565651713 491391581 /nfs/dbraw/zinc/39/15/81/491391581.db2.gz PWPZRXYQERYTAK-XWTMOSNGSA-N 3 2 350.507 0.430 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CN1CC[NH2+]CC1=O ZINC000572759584 491391736 /nfs/dbraw/zinc/39/17/36/491391736.db2.gz KXXRFEALLCOXLW-UHFFFAOYSA-N 2 2 352.866 0.662 20 0 FCADLP CN1C[C@@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725560 491395728 /nfs/dbraw/zinc/39/57/28/491395728.db2.gz ZXKCTORUWLPRPD-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP CN1C[C@@H]([NH+](C)CC2(C[N@H+](C)[C@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725560 491395731 /nfs/dbraw/zinc/39/57/31/491395731.db2.gz ZXKCTORUWLPRPD-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000572853714 491397845 /nfs/dbraw/zinc/39/78/45/491397845.db2.gz MHUPEJYLYLMQRX-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCOCC2)cc1 ZINC000573073207 491410677 /nfs/dbraw/zinc/41/06/77/491410677.db2.gz YJRNGZHDEGSXSO-ROUUACIJSA-N 2 2 362.474 0.656 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000558132997 491415938 /nfs/dbraw/zinc/41/59/38/491415938.db2.gz YGPZOBVJRNLMPA-QGZVFWFLSA-N 2 2 374.489 0.821 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000558132996 491416065 /nfs/dbraw/zinc/41/60/65/491416065.db2.gz YGPZOBVJRNLMPA-KRWDZBQOSA-N 2 2 374.489 0.821 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000558306906 491424984 /nfs/dbraw/zinc/42/49/84/491424984.db2.gz NQXJWTFFJTVPSR-UHFFFAOYSA-N 2 2 373.457 0.525 20 0 FCADLP C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000566201324 491425376 /nfs/dbraw/zinc/42/53/76/491425376.db2.gz XUPPLCLRJZSOOO-HOTGVXAUSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000558405227 491428968 /nfs/dbraw/zinc/42/89/68/491428968.db2.gz XCEZNKQYWPVMOR-INIZCTEOSA-N 2 2 360.462 0.614 20 0 FCADLP O=S(=O)(c1ccc(F)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000573371473 491429418 /nfs/dbraw/zinc/42/94/18/491429418.db2.gz CEJQAHUDCCNRBI-UHFFFAOYSA-N 2 2 356.467 0.037 20 0 FCADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000558459105 491432091 /nfs/dbraw/zinc/43/20/91/491432091.db2.gz MUNLTXNBYAXTBP-UHFFFAOYSA-N 2 2 355.442 0.918 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000566295874 491433572 /nfs/dbraw/zinc/43/35/72/491433572.db2.gz HCFZJBIFXRVDME-IBGZPJMESA-N 2 2 371.485 0.640 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000566295874 491433575 /nfs/dbraw/zinc/43/35/75/491433575.db2.gz HCFZJBIFXRVDME-IBGZPJMESA-N 2 2 371.485 0.640 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000573548832 491439725 /nfs/dbraw/zinc/43/97/25/491439725.db2.gz IEAHRCYDPLXPFK-XYPHTWIQSA-N 2 2 367.444 0.913 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000573548832 491439726 /nfs/dbraw/zinc/43/97/26/491439726.db2.gz IEAHRCYDPLXPFK-XYPHTWIQSA-N 2 2 367.444 0.913 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374509 493343246 /nfs/dbraw/zinc/34/32/46/493343246.db2.gz WAJPTRSYPFWCRI-KGLIPLIRSA-N 2 2 359.465 0.794 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374509 493343249 /nfs/dbraw/zinc/34/32/49/493343249.db2.gz WAJPTRSYPFWCRI-KGLIPLIRSA-N 2 2 359.465 0.794 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000566497221 491449009 /nfs/dbraw/zinc/44/90/09/491449009.db2.gz YAKRVVNSPSQLFK-SOUVJXGZSA-N 2 2 373.457 0.584 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000566497221 491449011 /nfs/dbraw/zinc/44/90/11/491449011.db2.gz YAKRVVNSPSQLFK-SOUVJXGZSA-N 2 2 373.457 0.584 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566631256 491457398 /nfs/dbraw/zinc/45/73/98/491457398.db2.gz MURVJFDOMGIIIO-UNEWFSDZSA-N 2 2 369.469 0.459 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566631256 491457401 /nfs/dbraw/zinc/45/74/01/491457401.db2.gz MURVJFDOMGIIIO-UNEWFSDZSA-N 2 2 369.469 0.459 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)C[C@H](C)O1 ZINC000573835035 491457745 /nfs/dbraw/zinc/45/77/45/491457745.db2.gz OJRYMAORLJDFRK-BARDWOONSA-N 2 2 369.428 0.309 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)C[C@H](C)O1 ZINC000573835035 491457746 /nfs/dbraw/zinc/45/77/46/491457746.db2.gz OJRYMAORLJDFRK-BARDWOONSA-N 2 2 369.428 0.309 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559350755 491466313 /nfs/dbraw/zinc/46/63/13/491466313.db2.gz AKHUKQCVRRQYAF-GASCZTMLSA-N 2 2 356.511 0.448 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559350755 491466315 /nfs/dbraw/zinc/46/63/15/491466315.db2.gz AKHUKQCVRRQYAF-GASCZTMLSA-N 2 2 356.511 0.448 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000559348409 491466615 /nfs/dbraw/zinc/46/66/15/491466615.db2.gz LEMOVXHNPRKNHR-KRWDZBQOSA-N 2 2 355.442 0.905 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000559348409 491466617 /nfs/dbraw/zinc/46/66/17/491466617.db2.gz LEMOVXHNPRKNHR-KRWDZBQOSA-N 2 2 355.442 0.905 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000559372434 491468037 /nfs/dbraw/zinc/46/80/37/491468037.db2.gz WWDHEJNMYMNHQG-UHFFFAOYSA-N 2 2 366.506 0.302 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000559379126 491468289 /nfs/dbraw/zinc/46/82/89/491468289.db2.gz NTZBFCFDYOSEBQ-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000559379126 491468291 /nfs/dbraw/zinc/46/82/91/491468291.db2.gz NTZBFCFDYOSEBQ-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382288 491468669 /nfs/dbraw/zinc/46/86/69/491468669.db2.gz UVARRPVGSGAPKO-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382288 491468670 /nfs/dbraw/zinc/46/86/70/491468670.db2.gz UVARRPVGSGAPKO-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000559385152 491469692 /nfs/dbraw/zinc/46/96/92/491469692.db2.gz BDPUNMLYBSYMRB-OAHLLOKOSA-N 2 2 373.457 0.806 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)nn1 ZINC000574037940 491470594 /nfs/dbraw/zinc/47/05/94/491470594.db2.gz NUQVAKNCIHLFIP-UHFFFAOYSA-N 2 2 368.445 0.233 20 0 FCADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])CC(=O)OC)CC2)cs1 ZINC000566913454 491474778 /nfs/dbraw/zinc/47/47/78/491474778.db2.gz XHZNAYFUHIWQJZ-AWEZNQCLSA-N 2 2 368.503 0.924 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1)[NH+]1CCOCC1 ZINC000559465291 491475969 /nfs/dbraw/zinc/47/59/69/491475969.db2.gz LQZHRNLVWASVQV-PKOBYXMFSA-N 2 2 369.506 0.123 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000559550757 491480287 /nfs/dbraw/zinc/48/02/87/491480287.db2.gz UJIRGUIOWHZWLT-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000559551631 491480834 /nfs/dbraw/zinc/48/08/34/491480834.db2.gz MKLJFAYFZMZUJL-INIZCTEOSA-N 2 2 356.511 0.260 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000574215989 491482017 /nfs/dbraw/zinc/48/20/17/491482017.db2.gz VHDJHBJZMGHXMQ-QGZVFWFLSA-N 2 2 366.506 0.014 20 0 FCADLP COC(=O)COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000567148704 491488827 /nfs/dbraw/zinc/48/88/27/491488827.db2.gz KMGJMTXTGBPYFR-CQSZACIVSA-N 2 2 350.419 0.023 20 0 FCADLP COC(=O)COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000567148704 491488829 /nfs/dbraw/zinc/48/88/29/491488829.db2.gz KMGJMTXTGBPYFR-CQSZACIVSA-N 2 2 350.419 0.023 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000574363588 491491546 /nfs/dbraw/zinc/49/15/46/491491546.db2.gz GDLFXDOXGPISEP-CVEARBPZSA-N 2 2 356.511 0.441 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000574363588 491491549 /nfs/dbraw/zinc/49/15/49/491491549.db2.gz GDLFXDOXGPISEP-CVEARBPZSA-N 2 2 356.511 0.441 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCC3=CC[NH2+]CC3)ccn2)CC1 ZINC000567220823 491492569 /nfs/dbraw/zinc/49/25/69/491492569.db2.gz IIAXKENSFPEIOQ-UHFFFAOYSA-N 2 2 372.473 0.901 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567225186 491493000 /nfs/dbraw/zinc/49/30/00/491493000.db2.gz ZDLVHTPWGMVNJQ-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567225186 491493002 /nfs/dbraw/zinc/49/30/02/491493002.db2.gz ZDLVHTPWGMVNJQ-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000574443229 491496672 /nfs/dbraw/zinc/49/66/72/491496672.db2.gz PGEGDARVZLNNHY-UBDQQSCGSA-N 2 2 371.485 0.483 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000574572424 491505641 /nfs/dbraw/zinc/50/56/41/491505641.db2.gz TWZHJOMNUXQDCZ-ROUUACIJSA-N 2 2 356.470 0.399 20 0 FCADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000567487720 491509094 /nfs/dbraw/zinc/50/90/94/491509094.db2.gz XYVRHXAIXWRTDE-LNLFQRSKSA-N 2 2 356.470 0.806 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000574630004 491509515 /nfs/dbraw/zinc/50/95/15/491509515.db2.gz NCSHWJJJZFEPDC-OTWHNJEPSA-N 2 2 370.497 0.835 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000574634663 491509522 /nfs/dbraw/zinc/50/95/22/491509522.db2.gz RONNJOTTXSUATH-UHFFFAOYSA-N 2 2 358.446 0.594 20 0 FCADLP CSC1(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000574659809 491511245 /nfs/dbraw/zinc/51/12/45/491511245.db2.gz MAWHLDGXAZOQIS-UHFFFAOYSA-N 2 2 368.547 0.673 20 0 FCADLP O=C(NCC(=O)N1CC[NH2+]CC1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000574664940 491511801 /nfs/dbraw/zinc/51/18/01/491511801.db2.gz GRDXILFHGFDJCX-UHFFFAOYSA-N 2 2 360.462 0.303 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@H+](C)CC[C@H]2C)([NH+]2CCOCC2)C1 ZINC000559953386 491511796 /nfs/dbraw/zinc/51/17/96/491511796.db2.gz LVQKCNLFXAAXIC-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)([NH+]2CCOCC2)C1 ZINC000559953386 491511799 /nfs/dbraw/zinc/51/17/99/491511799.db2.gz LVQKCNLFXAAXIC-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP C[NH2+]C[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574757291 491518484 /nfs/dbraw/zinc/51/84/84/491518484.db2.gz YNTGKPVNRVNVHH-LLVKDONJSA-N 2 2 351.266 0.393 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000683373991 493348093 /nfs/dbraw/zinc/34/80/93/493348093.db2.gz WELPUUDUPHNHSO-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000683373991 493348095 /nfs/dbraw/zinc/34/80/95/493348095.db2.gz WELPUUDUPHNHSO-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000567691564 491523224 /nfs/dbraw/zinc/52/32/24/491523224.db2.gz ZOECEGVDKARYDN-SJORKVTESA-N 2 2 350.463 0.220 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000567691564 491523226 /nfs/dbraw/zinc/52/32/26/491523226.db2.gz ZOECEGVDKARYDN-SJORKVTESA-N 2 2 350.463 0.220 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000567716823 491524588 /nfs/dbraw/zinc/52/45/88/491524588.db2.gz JSJRCFVLZQXGNM-CALCHBBNSA-N 2 2 373.501 0.134 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000567771346 491528526 /nfs/dbraw/zinc/52/85/26/491528526.db2.gz AFXVSGQFMHZRED-OAHLLOKOSA-N 2 2 359.405 0.886 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000567795296 491530413 /nfs/dbraw/zinc/53/04/13/491530413.db2.gz LBMWBJSYXNOGPW-FXAWDEMLSA-N 2 2 362.518 0.827 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000574974757 491531351 /nfs/dbraw/zinc/53/13/51/491531351.db2.gz PZMGZGNCMIEUNZ-NEPJUHHUSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000574974757 491531352 /nfs/dbraw/zinc/53/13/52/491531352.db2.gz PZMGZGNCMIEUNZ-NEPJUHHUSA-N 2 2 367.400 0.354 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000575046193 491535825 /nfs/dbraw/zinc/53/58/25/491535825.db2.gz GHYMYOHHKOHVPF-ZJPYXAASSA-N 2 2 352.475 0.794 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H]3[NH2+]CC[C@H]3C1)C2 ZINC000567889910 491538495 /nfs/dbraw/zinc/53/84/95/491538495.db2.gz JMQCKPSHBZCIQW-UONOGXRCSA-N 2 2 359.474 0.639 20 0 FCADLP [NH3+]C1(C[NH2+]CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCC1 ZINC000567891980 491538971 /nfs/dbraw/zinc/53/89/71/491538971.db2.gz DETXXOJLXDSALJ-HNNXBMFYSA-N 2 2 357.520 0.806 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCOCC1 ZINC000575151511 491542241 /nfs/dbraw/zinc/54/22/41/491542241.db2.gz YKBKUEDPZONLBY-SFHVURJKSA-N 2 2 374.485 0.744 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000560505613 491543096 /nfs/dbraw/zinc/54/30/96/491543096.db2.gz PRMPLZONMUWBRM-RRIFGTCXSA-N 2 2 353.507 0.693 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000575165326 491543184 /nfs/dbraw/zinc/54/31/84/491543184.db2.gz FUPQBYNJXROMJE-HNNXBMFYSA-N 2 2 352.483 1.066 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000575165326 491543186 /nfs/dbraw/zinc/54/31/86/491543186.db2.gz FUPQBYNJXROMJE-HNNXBMFYSA-N 2 2 352.483 1.066 20 0 FCADLP CN(C)C(=O)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)[nH]1 ZINC000575218593 491546494 /nfs/dbraw/zinc/54/64/94/491546494.db2.gz GOWFRPQAPNWIOR-UHFFFAOYSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560778592 491557160 /nfs/dbraw/zinc/55/71/60/491557160.db2.gz YAAHAIIYJIGFPG-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560778592 491557161 /nfs/dbraw/zinc/55/71/61/491557161.db2.gz YAAHAIIYJIGFPG-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)nn1 ZINC000568177047 491557275 /nfs/dbraw/zinc/55/72/75/491557275.db2.gz LONPVIGPUPNBTH-AWEZNQCLSA-N 2 2 351.451 0.179 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)nn1 ZINC000568177047 491557276 /nfs/dbraw/zinc/55/72/76/491557276.db2.gz LONPVIGPUPNBTH-AWEZNQCLSA-N 2 2 351.451 0.179 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000575750045 491558484 /nfs/dbraw/zinc/55/84/84/491558484.db2.gz KITADPYSXVXJBE-LSDHHAIUSA-N 2 2 365.499 0.703 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267341 491564514 /nfs/dbraw/zinc/56/45/14/491564514.db2.gz FBEWGEUOZGZMKG-ZWKOTPCHSA-N 2 2 370.497 0.858 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267341 491564516 /nfs/dbraw/zinc/56/45/16/491564516.db2.gz FBEWGEUOZGZMKG-ZWKOTPCHSA-N 2 2 370.497 0.858 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000568268555 491565615 /nfs/dbraw/zinc/56/56/15/491565615.db2.gz ZHKZYCLFOKGDRJ-JQHSSLGASA-N 2 2 374.485 0.514 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000568268555 491565616 /nfs/dbraw/zinc/56/56/16/491565616.db2.gz ZHKZYCLFOKGDRJ-JQHSSLGASA-N 2 2 374.485 0.514 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000575898518 491568805 /nfs/dbraw/zinc/56/88/05/491568805.db2.gz DTMLNKJMILMCNB-ZWKOTPCHSA-N 2 2 362.474 0.738 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000561011823 491569640 /nfs/dbraw/zinc/56/96/40/491569640.db2.gz SWWPRHMPIUJFTE-OAHLLOKOSA-N 2 2 359.430 0.482 20 0 FCADLP COc1ccc([C@H](C[NH3+])CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000568396273 491574195 /nfs/dbraw/zinc/57/41/95/491574195.db2.gz BWJGHTSHNZNOQN-GOSISDBHSA-N 2 2 360.502 0.978 20 0 FCADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000568396273 491574198 /nfs/dbraw/zinc/57/41/98/491574198.db2.gz BWJGHTSHNZNOQN-GOSISDBHSA-N 2 2 360.502 0.978 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CCC2 ZINC000568436979 491577329 /nfs/dbraw/zinc/57/73/29/491577329.db2.gz KTGFOUIPJOVDOH-GDBMZVCRSA-N 2 2 359.474 0.952 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)CCC2 ZINC000568436979 491577331 /nfs/dbraw/zinc/57/73/31/491577331.db2.gz KTGFOUIPJOVDOH-GDBMZVCRSA-N 2 2 359.474 0.952 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CCN2C1=O ZINC000576053322 491578891 /nfs/dbraw/zinc/57/88/91/491578891.db2.gz KLPRRGNCYGOILN-SJORKVTESA-N 2 2 353.426 0.244 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000561158126 491579085 /nfs/dbraw/zinc/57/90/85/491579085.db2.gz RWSQTMMQUJZXLF-ROUUACIJSA-N 2 2 362.474 0.299 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)N2CCOc3ccccc32)CC1 ZINC000576058732 491579448 /nfs/dbraw/zinc/57/94/48/491579448.db2.gz AIGAKHNWSGEJOZ-UHFFFAOYSA-N 2 2 360.458 0.508 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000576100548 491581350 /nfs/dbraw/zinc/58/13/50/491581350.db2.gz PRAKYNBHWRVCAF-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000576100548 491581353 /nfs/dbraw/zinc/58/13/53/491581353.db2.gz PRAKYNBHWRVCAF-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCC2CC[NH+](CC(F)F)CC2)CC1=O ZINC000584360938 491583352 /nfs/dbraw/zinc/58/33/52/491583352.db2.gz WAFUBVGGWRNONY-CQSZACIVSA-N 2 2 360.449 0.490 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000577054336 491584825 /nfs/dbraw/zinc/58/48/25/491584825.db2.gz AIAIUBXJZGKRCB-UHFFFAOYSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(=O)NCC[NH+]1CCCCC1 ZINC000584397044 491586277 /nfs/dbraw/zinc/58/62/77/491586277.db2.gz IESWLPOHYOAMSK-CQSZACIVSA-N 2 2 371.445 0.383 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000577084841 491587878 /nfs/dbraw/zinc/58/78/78/491587878.db2.gz QGAJJLZSSNHXMR-IRXDYDNUSA-N 2 2 366.506 0.204 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000577082025 491588098 /nfs/dbraw/zinc/58/80/98/491588098.db2.gz OIHNHCPZGQLJNJ-LJQANCHMSA-N 2 2 352.523 0.631 20 0 FCADLP C[N@H+]1CCC[C@@]2(CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000577082025 491588102 /nfs/dbraw/zinc/58/81/02/491588102.db2.gz OIHNHCPZGQLJNJ-LJQANCHMSA-N 2 2 352.523 0.631 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000577098857 491589707 /nfs/dbraw/zinc/58/97/07/491589707.db2.gz MLUPUYCJXGQGMU-DMHIMHRUSA-N 2 2 352.479 0.557 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000561249888 491589873 /nfs/dbraw/zinc/58/98/73/491589873.db2.gz YJYULDKIHKPBCI-NSHDSACASA-N 2 2 361.368 0.614 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000561249888 491589877 /nfs/dbraw/zinc/58/98/77/491589877.db2.gz YJYULDKIHKPBCI-NSHDSACASA-N 2 2 361.368 0.614 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000568616548 491592423 /nfs/dbraw/zinc/59/24/23/491592423.db2.gz HLQMQTKYPWOENT-KRWDZBQOSA-N 2 2 353.488 0.642 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000568616548 491592427 /nfs/dbraw/zinc/59/24/27/491592427.db2.gz HLQMQTKYPWOENT-KRWDZBQOSA-N 2 2 353.488 0.642 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000584465151 491594493 /nfs/dbraw/zinc/59/44/93/491594493.db2.gz VRWWFNSHHAEYNM-OAHLLOKOSA-N 2 2 356.488 0.920 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000561367797 491602168 /nfs/dbraw/zinc/60/21/68/491602168.db2.gz SADVAZQXNGJHPA-ULQDDVLXSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000561368805 491603107 /nfs/dbraw/zinc/60/31/07/491603107.db2.gz YVYMNNCCYVJATQ-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000561368805 491603111 /nfs/dbraw/zinc/60/31/11/491603111.db2.gz YVYMNNCCYVJATQ-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000577269343 491608135 /nfs/dbraw/zinc/60/81/35/491608135.db2.gz XGOYNJSBMWRQER-HNNXBMFYSA-N 2 2 360.462 0.172 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000568852772 491614059 /nfs/dbraw/zinc/61/40/59/491614059.db2.gz RDKHAWHZKNYUKP-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000568852772 491614061 /nfs/dbraw/zinc/61/40/61/491614061.db2.gz RDKHAWHZKNYUKP-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000577373054 491616206 /nfs/dbraw/zinc/61/62/06/491616206.db2.gz GQZBYLRRNUQFPZ-QZTJIDSGSA-N 2 2 356.470 0.399 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000576543263 491623636 /nfs/dbraw/zinc/62/36/36/491623636.db2.gz GSRILQBHDNVBOM-AWEZNQCLSA-N 2 2 358.552 0.729 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576543263 491623638 /nfs/dbraw/zinc/62/36/38/491623638.db2.gz GSRILQBHDNVBOM-AWEZNQCLSA-N 2 2 358.552 0.729 20 0 FCADLP Cn1c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2[nH+]c1C1CC1 ZINC000568999308 491626054 /nfs/dbraw/zinc/62/60/54/491626054.db2.gz ZTNQJYYLMFHQIQ-CQSZACIVSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000576626897 491631172 /nfs/dbraw/zinc/63/11/72/491631172.db2.gz PDTCAVDOECEMLY-FMKPAKJESA-N 2 2 362.499 0.774 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576649957 491632773 /nfs/dbraw/zinc/63/27/73/491632773.db2.gz VOGSOLWRRRRCGR-UAGQMJEPSA-N 2 2 374.485 0.896 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576649957 491632775 /nfs/dbraw/zinc/63/27/75/491632775.db2.gz VOGSOLWRRRRCGR-UAGQMJEPSA-N 2 2 374.485 0.896 20 0 FCADLP CC(C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000569140991 491637548 /nfs/dbraw/zinc/63/75/48/491637548.db2.gz QOSMZUXTSBMPMO-UHFFFAOYSA-N 2 2 354.476 0.559 20 0 FCADLP CSC[C@@H](O)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000569232241 491644547 /nfs/dbraw/zinc/64/45/47/491644547.db2.gz PQXLYQNYTZIBPW-HNNXBMFYSA-N 2 2 373.544 0.436 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000561994985 491645072 /nfs/dbraw/zinc/64/50/72/491645072.db2.gz AAIJOJDJHIYIRI-GOEBONIOSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000561994985 491645075 /nfs/dbraw/zinc/64/50/75/491645075.db2.gz AAIJOJDJHIYIRI-GOEBONIOSA-N 2 2 364.515 0.991 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000569333391 491652624 /nfs/dbraw/zinc/65/26/24/491652624.db2.gz QGUQQINJPSRIKK-OAHLLOKOSA-N 2 2 356.430 0.440 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917132 491662652 /nfs/dbraw/zinc/66/26/52/491662652.db2.gz RWFUXEBEZMEVMH-GDBMZVCRSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917132 491662657 /nfs/dbraw/zinc/66/26/57/491662657.db2.gz RWFUXEBEZMEVMH-GDBMZVCRSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000577917132 491662660 /nfs/dbraw/zinc/66/26/60/491662660.db2.gz RWFUXEBEZMEVMH-GDBMZVCRSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000577917132 491662663 /nfs/dbraw/zinc/66/26/63/491662663.db2.gz RWFUXEBEZMEVMH-GDBMZVCRSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000578006002 491667434 /nfs/dbraw/zinc/66/74/34/491667434.db2.gz LREJDMJNRTULNQ-HUUCEWRRSA-N 2 2 359.465 0.653 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000578150914 491670969 /nfs/dbraw/zinc/67/09/69/491670969.db2.gz OHCJWVIIQRXLRX-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000578150914 491670970 /nfs/dbraw/zinc/67/09/70/491670970.db2.gz OHCJWVIIQRXLRX-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000578256010 491673435 /nfs/dbraw/zinc/67/34/35/491673435.db2.gz NUEGUXJMCUKHAY-INIZCTEOSA-N 2 2 356.511 0.258 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000578256010 491673436 /nfs/dbraw/zinc/67/34/36/491673436.db2.gz NUEGUXJMCUKHAY-INIZCTEOSA-N 2 2 356.511 0.258 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000578390670 491676351 /nfs/dbraw/zinc/67/63/51/491676351.db2.gz LGCMEOPYQIZECO-CABCVRRESA-N 2 2 368.503 0.331 20 0 FCADLP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000578396678 491676492 /nfs/dbraw/zinc/67/64/92/491676492.db2.gz ZJYOBONXUQZLSU-HNNXBMFYSA-N 2 2 374.551 0.142 20 0 FCADLP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000578396678 491676493 /nfs/dbraw/zinc/67/64/93/491676493.db2.gz ZJYOBONXUQZLSU-HNNXBMFYSA-N 2 2 374.551 0.142 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000578425613 491676938 /nfs/dbraw/zinc/67/69/38/491676938.db2.gz QUEXWIKASUKEDB-NVXWUHKLSA-N 2 2 365.522 0.747 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000578530176 491679173 /nfs/dbraw/zinc/67/91/73/491679173.db2.gz UCPAEQAXDHKHIO-HRCADAONSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@@H](c1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000578528028 491679216 /nfs/dbraw/zinc/67/92/16/491679216.db2.gz XNZTUHMZGFUYEL-WMLDXEAASA-N 2 2 360.458 0.887 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578738670 491683239 /nfs/dbraw/zinc/68/32/39/491683239.db2.gz LEEUGYJVUBNNQT-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000578792734 491684502 /nfs/dbraw/zinc/68/45/02/491684502.db2.gz LKQMDUCLFQYEOX-OAGGEKHMSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000578792734 491684503 /nfs/dbraw/zinc/68/45/03/491684503.db2.gz LKQMDUCLFQYEOX-OAGGEKHMSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000578792734 491684504 /nfs/dbraw/zinc/68/45/04/491684504.db2.gz LKQMDUCLFQYEOX-OAGGEKHMSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000578792734 491684505 /nfs/dbraw/zinc/68/45/05/491684505.db2.gz LKQMDUCLFQYEOX-OAGGEKHMSA-N 2 2 368.522 0.543 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000578933561 491687370 /nfs/dbraw/zinc/68/73/70/491687370.db2.gz UOQDDUCEGJZOHF-ZBFHGGJFSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000578933561 491687371 /nfs/dbraw/zinc/68/73/71/491687371.db2.gz UOQDDUCEGJZOHF-ZBFHGGJFSA-N 2 2 359.474 0.880 20 0 FCADLP O[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)COC1CCOCC1 ZINC000578988600 491688462 /nfs/dbraw/zinc/68/84/62/491688462.db2.gz OSYBDRIUIOXCHK-RTBURBONSA-N 2 2 364.486 0.552 20 0 FCADLP O[C@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)COC1CCOCC1 ZINC000578988600 491688463 /nfs/dbraw/zinc/68/84/63/491688463.db2.gz OSYBDRIUIOXCHK-RTBURBONSA-N 2 2 364.486 0.552 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000579103110 491690991 /nfs/dbraw/zinc/69/09/91/491690991.db2.gz DIEHHIAMBZGLMN-LJISPDSOSA-N 2 2 353.429 0.930 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000579103110 491690992 /nfs/dbraw/zinc/69/09/92/491690992.db2.gz DIEHHIAMBZGLMN-LJISPDSOSA-N 2 2 353.429 0.930 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)cs1 ZINC000579113425 491691281 /nfs/dbraw/zinc/69/12/81/491691281.db2.gz SFYKMEFXLZWJQU-UHFFFAOYSA-N 2 2 365.503 0.212 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000579461956 491698354 /nfs/dbraw/zinc/69/83/54/491698354.db2.gz POFMTGJYRMHTPL-KRWDZBQOSA-N 2 2 374.485 0.407 20 0 FCADLP O=C(C[N@@H+]1CCC[C@]12CCNC2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000579728921 491704029 /nfs/dbraw/zinc/70/40/29/491704029.db2.gz PHZIHNCDMIGPDO-HXUWFJFHSA-N 2 2 356.470 0.685 20 0 FCADLP O=C(C[N@H+]1CCC[C@]12CCNC2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000579728921 491704030 /nfs/dbraw/zinc/70/40/30/491704030.db2.gz PHZIHNCDMIGPDO-HXUWFJFHSA-N 2 2 356.470 0.685 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000579743886 491704609 /nfs/dbraw/zinc/70/46/09/491704609.db2.gz NFOCMLJZRCJMPY-NSHDSACASA-N 2 2 373.379 0.757 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000579743886 491704610 /nfs/dbraw/zinc/70/46/10/491704610.db2.gz NFOCMLJZRCJMPY-NSHDSACASA-N 2 2 373.379 0.757 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000579931125 491709518 /nfs/dbraw/zinc/70/95/18/491709518.db2.gz GSLRPQHWRVUKSN-OAHLLOKOSA-N 2 2 360.462 0.172 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715432 /nfs/dbraw/zinc/71/54/32/491715432.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715433 /nfs/dbraw/zinc/71/54/33/491715433.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715435 /nfs/dbraw/zinc/71/54/35/491715435.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715437 /nfs/dbraw/zinc/71/54/37/491715437.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715438 /nfs/dbraw/zinc/71/54/38/491715438.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807887 491715440 /nfs/dbraw/zinc/71/54/40/491715440.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584807887 491715441 /nfs/dbraw/zinc/71/54/41/491715441.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584807887 491715443 /nfs/dbraw/zinc/71/54/43/491715443.db2.gz SWQSRIQMVCXYGN-OBMJPTGESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091139 491717070 /nfs/dbraw/zinc/71/70/70/491717070.db2.gz QVFVHEUOIDTSPI-VQIMIIECSA-N 2 2 360.502 0.947 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091139 491717071 /nfs/dbraw/zinc/71/70/71/491717071.db2.gz QVFVHEUOIDTSPI-VQIMIIECSA-N 3 2 360.502 0.947 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091139 491717072 /nfs/dbraw/zinc/71/70/72/491717072.db2.gz QVFVHEUOIDTSPI-VQIMIIECSA-N 3 2 360.502 0.947 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000580143405 491719301 /nfs/dbraw/zinc/71/93/01/491719301.db2.gz LMHPBFYJIMPMDT-KYHPRHEASA-N 2 2 371.485 0.705 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000580143405 491719303 /nfs/dbraw/zinc/71/93/03/491719303.db2.gz LMHPBFYJIMPMDT-KYHPRHEASA-N 2 2 371.485 0.705 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000580379475 491728485 /nfs/dbraw/zinc/72/84/85/491728485.db2.gz BWLJJNAXUDBYAA-UHFFFAOYSA-N 2 2 374.489 0.045 20 0 FCADLP CN(C[C@H]1COCCO1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660575577 493362804 /nfs/dbraw/zinc/36/28/04/493362804.db2.gz WIADEEREWSJKHX-KRWDZBQOSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000580565145 491736518 /nfs/dbraw/zinc/73/65/18/491736518.db2.gz WLQRZZOHDJKLGP-GOEBONIOSA-N 2 2 371.503 0.754 20 0 FCADLP CO[C@@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000580565145 491736519 /nfs/dbraw/zinc/73/65/19/491736519.db2.gz WLQRZZOHDJKLGP-GOEBONIOSA-N 2 2 371.503 0.754 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000580647680 491739871 /nfs/dbraw/zinc/73/98/71/491739871.db2.gz NUZQZZRAKNGUPC-XDQVBPFNSA-N 2 2 356.467 0.545 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000580647680 491739872 /nfs/dbraw/zinc/73/98/72/491739872.db2.gz NUZQZZRAKNGUPC-XDQVBPFNSA-N 2 2 356.467 0.545 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000580716837 491743131 /nfs/dbraw/zinc/74/31/31/491743131.db2.gz QJYSDCXXPNEQBL-BRWVUGGUSA-N 2 2 366.506 0.048 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660581569 493363357 /nfs/dbraw/zinc/36/33/57/493363357.db2.gz GVQJESBOYFAANG-QGZVFWFLSA-N 2 2 354.495 0.507 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660581569 493363359 /nfs/dbraw/zinc/36/33/59/493363359.db2.gz GVQJESBOYFAANG-QGZVFWFLSA-N 2 2 354.495 0.507 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588807649 491749921 /nfs/dbraw/zinc/74/99/21/491749921.db2.gz RWDULXPIRSBCFA-GOEBONIOSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588807649 491749922 /nfs/dbraw/zinc/74/99/22/491749922.db2.gz RWDULXPIRSBCFA-GOEBONIOSA-N 2 2 370.563 0.871 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)[C@@H](C[NH3+])C1 ZINC000581061343 491757581 /nfs/dbraw/zinc/75/75/81/491757581.db2.gz SKIGFLKNRZMVEG-NSHDSACASA-N 2 2 371.367 0.532 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000581084572 491758623 /nfs/dbraw/zinc/75/86/23/491758623.db2.gz MHOOREPHCNCPQY-UHFFFAOYSA-N 2 2 353.463 0.195 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673768236 493360590 /nfs/dbraw/zinc/36/05/90/493360590.db2.gz CIFMRCMXOYHTSQ-UHFFFAOYSA-N 2 2 372.473 0.695 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000581247644 491765701 /nfs/dbraw/zinc/76/57/01/491765701.db2.gz MDULYWJZIUGCDK-MRXNPFEDSA-N 2 2 358.446 0.258 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000581247644 491765702 /nfs/dbraw/zinc/76/57/02/491765702.db2.gz MDULYWJZIUGCDK-MRXNPFEDSA-N 2 2 358.446 0.258 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCOc2ncccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000581299877 491767693 /nfs/dbraw/zinc/76/76/93/491767693.db2.gz OCIKYWBBMLPPKR-NSHDSACASA-N 2 2 361.368 0.764 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCOc2ncccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000581299877 491767694 /nfs/dbraw/zinc/76/76/94/491767694.db2.gz OCIKYWBBMLPPKR-NSHDSACASA-N 2 2 361.368 0.764 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000581479432 491774495 /nfs/dbraw/zinc/77/44/95/491774495.db2.gz ZXNQFTHXZJDMPJ-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000590619034 491781465 /nfs/dbraw/zinc/78/14/65/491781465.db2.gz ARSIGWCAYRRYIU-SFHVURJKSA-N 2 2 373.501 0.930 20 0 FCADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000590619034 491781466 /nfs/dbraw/zinc/78/14/66/491781466.db2.gz ARSIGWCAYRRYIU-SFHVURJKSA-N 2 2 373.501 0.930 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC000581879445 491788627 /nfs/dbraw/zinc/78/86/27/491788627.db2.gz KQSLJZLAZQTJCP-QGZVFWFLSA-N 2 2 361.490 0.328 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC000581879445 491788629 /nfs/dbraw/zinc/78/86/29/491788629.db2.gz KQSLJZLAZQTJCP-QGZVFWFLSA-N 2 2 361.490 0.328 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000581992465 491793245 /nfs/dbraw/zinc/79/32/45/491793245.db2.gz NGIWSKJSRRBDMK-MRXNPFEDSA-N 2 2 365.522 0.572 20 0 FCADLP Cc1ccc2nc(C[NH+]3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)cc(=O)n2c1 ZINC000591080949 491795976 /nfs/dbraw/zinc/79/59/76/491795976.db2.gz WDTTYBFJRXXEJR-QGZVFWFLSA-N 2 2 369.469 0.917 20 0 FCADLP Cc1ccc2nc(C[NH+]3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)cc(=O)n2c1 ZINC000591080949 491795977 /nfs/dbraw/zinc/79/59/77/491795977.db2.gz WDTTYBFJRXXEJR-QGZVFWFLSA-N 2 2 369.469 0.917 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000582075722 491796992 /nfs/dbraw/zinc/79/69/92/491796992.db2.gz MNGZJXZIGCOPHH-KBPBESRZSA-N 2 2 368.522 0.637 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+](C)C1 ZINC000591224737 491799036 /nfs/dbraw/zinc/79/90/36/491799036.db2.gz FKSQHBISPKDKSS-RDJZCZTQSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+](C)C1 ZINC000591224737 491799037 /nfs/dbraw/zinc/79/90/37/491799037.db2.gz FKSQHBISPKDKSS-RDJZCZTQSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224737 491799039 /nfs/dbraw/zinc/79/90/39/491799039.db2.gz FKSQHBISPKDKSS-RDJZCZTQSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224737 491799040 /nfs/dbraw/zinc/79/90/40/491799040.db2.gz FKSQHBISPKDKSS-RDJZCZTQSA-N 2 2 360.458 0.609 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312368 491807069 /nfs/dbraw/zinc/80/70/69/491807069.db2.gz VXDFXUJQURXNDO-QWHCGFSZSA-N 2 2 373.482 0.199 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312368 491807071 /nfs/dbraw/zinc/80/70/71/491807071.db2.gz VXDFXUJQURXNDO-QWHCGFSZSA-N 2 2 373.482 0.199 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000582350131 491808753 /nfs/dbraw/zinc/80/87/53/491808753.db2.gz PNXMCGGIEPWYJV-INIZCTEOSA-N 2 2 365.522 0.714 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1)N1CC[NH2+]CC1 ZINC000582360762 491809211 /nfs/dbraw/zinc/80/92/11/491809211.db2.gz IDDLQHPEYMHYKU-OAHLLOKOSA-N 2 2 363.462 0.607 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1)N1CC[NH2+]CC1 ZINC000582360762 491809212 /nfs/dbraw/zinc/80/92/12/491809212.db2.gz IDDLQHPEYMHYKU-OAHLLOKOSA-N 2 2 363.462 0.607 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371290 491809842 /nfs/dbraw/zinc/80/98/42/491809842.db2.gz UBOIQSCKLCQJLG-LSDHHAIUSA-N 2 2 350.850 0.243 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371290 491809843 /nfs/dbraw/zinc/80/98/43/491809843.db2.gz UBOIQSCKLCQJLG-LSDHHAIUSA-N 2 2 350.850 0.243 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC(=O)NC(C)(C)C ZINC000591590619 491810094 /nfs/dbraw/zinc/81/00/94/491810094.db2.gz OIQOIEILZTZKIN-UHFFFAOYSA-N 2 2 355.527 0.959 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC(=O)NC(C)(C)C ZINC000591590619 491810096 /nfs/dbraw/zinc/81/00/96/491810096.db2.gz OIQOIEILZTZKIN-UHFFFAOYSA-N 2 2 355.527 0.959 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)CCC2 ZINC000582383255 491810085 /nfs/dbraw/zinc/81/00/85/491810085.db2.gz SSVVLVTUFUGWAF-HOTGVXAUSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)CCC2 ZINC000582383255 491810087 /nfs/dbraw/zinc/81/00/87/491810087.db2.gz SSVVLVTUFUGWAF-HOTGVXAUSA-N 2 2 361.490 0.984 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582431815 491812356 /nfs/dbraw/zinc/81/23/56/491812356.db2.gz SEWYERNNJRUEES-AEGPPILISA-N 2 2 362.499 0.828 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582431815 491812357 /nfs/dbraw/zinc/81/23/57/491812357.db2.gz SEWYERNNJRUEES-AEGPPILISA-N 2 2 362.499 0.828 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000591633144 491813387 /nfs/dbraw/zinc/81/33/87/491813387.db2.gz OLBYNXHZBSNZJO-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000582476533 491814118 /nfs/dbraw/zinc/81/41/18/491814118.db2.gz HURRZWWKMSWPBH-BBWFWOEESA-N 2 2 366.506 0.333 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537730 491816684 /nfs/dbraw/zinc/81/66/84/491816684.db2.gz CMZCGFWXJPAVCF-CABCVRRESA-N 2 2 363.462 0.022 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537730 491816686 /nfs/dbraw/zinc/81/66/86/491816686.db2.gz CMZCGFWXJPAVCF-CABCVRRESA-N 2 2 363.462 0.022 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668501724 493365310 /nfs/dbraw/zinc/36/53/10/493365310.db2.gz AXIXINNWWZFWPK-OAHLLOKOSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000582655726 491821369 /nfs/dbraw/zinc/82/13/69/491821369.db2.gz ZCGRWIQCAYZWDP-SJORKVTESA-N 2 2 356.536 0.883 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000582715703 491823676 /nfs/dbraw/zinc/82/36/76/491823676.db2.gz PPEKCKAKKOJZHH-MRXNPFEDSA-N 2 2 361.490 0.039 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)CC2 ZINC000582730802 491824577 /nfs/dbraw/zinc/82/45/77/491824577.db2.gz TXOSEENPUMAXRM-MRXNPFEDSA-N 2 2 362.474 0.752 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1CC[NH2+]CC1 ZINC000583073855 491837430 /nfs/dbraw/zinc/83/74/30/491837430.db2.gz DPGIVWVSAZTTMJ-UHFFFAOYSA-N 2 2 374.489 0.419 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262151 491841140 /nfs/dbraw/zinc/84/11/40/491841140.db2.gz UMRHEJGNBVJCBW-JXFKEZNVSA-N 2 2 359.470 0.919 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262151 491841141 /nfs/dbraw/zinc/84/11/41/491841141.db2.gz UMRHEJGNBVJCBW-JXFKEZNVSA-N 2 2 359.470 0.919 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CNC(=O)C1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000583441423 491845009 /nfs/dbraw/zinc/84/50/09/491845009.db2.gz BASIIOHWKMCKSF-HNNXBMFYSA-N 2 2 359.474 0.900 20 0 FCADLP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000583742942 491850935 /nfs/dbraw/zinc/85/09/35/491850935.db2.gz VEEUOBHCNNAMHR-DLBZAZTESA-N 2 2 354.458 0.993 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H](C)[NH2+]1 ZINC000583742860 491851070 /nfs/dbraw/zinc/85/10/70/491851070.db2.gz MJCZVJDXHVLRBW-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000583992165 491856098 /nfs/dbraw/zinc/85/60/98/491856098.db2.gz UIAOHMLTYSVDBG-HOTGVXAUSA-N 2 2 364.494 0.679 20 0 FCADLP O[C@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)Cn1cccn1 ZINC000584167948 491859850 /nfs/dbraw/zinc/85/98/50/491859850.db2.gz MLCSSSNZJDOMTE-GOSISDBHSA-N 2 2 360.458 0.745 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C[NH3+])C1 ZINC000584230666 491861145 /nfs/dbraw/zinc/86/11/45/491861145.db2.gz REWGOBNUEFLOHO-VQBCORBOSA-N 2 2 362.518 0.810 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C[NH3+])C1 ZINC000584230666 491861146 /nfs/dbraw/zinc/86/11/46/491861146.db2.gz REWGOBNUEFLOHO-VQBCORBOSA-N 2 2 362.518 0.810 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1 ZINC000584278796 491862149 /nfs/dbraw/zinc/86/21/49/491862149.db2.gz XWELGGVRBDRJNZ-KKUMJFAQSA-N 2 2 352.458 0.726 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC000584285737 491862211 /nfs/dbraw/zinc/86/22/11/491862211.db2.gz JAVLHDZAHGYWNS-JSRQGNBESA-N 2 2 359.474 0.878 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875389 491869355 /nfs/dbraw/zinc/86/93/55/491869355.db2.gz DMZISZQZASEAEW-AEFFLSMTSA-N 2 2 374.485 0.549 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875389 491869357 /nfs/dbraw/zinc/86/93/57/491869357.db2.gz DMZISZQZASEAEW-AEFFLSMTSA-N 2 2 374.485 0.549 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000600905199 491889102 /nfs/dbraw/zinc/88/91/02/491889102.db2.gz FCIJDGUERWFVIZ-HNNXBMFYSA-N 2 2 351.520 0.821 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000600905199 491889103 /nfs/dbraw/zinc/88/91/03/491889103.db2.gz FCIJDGUERWFVIZ-HNNXBMFYSA-N 2 2 351.520 0.821 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000612020590 491891631 /nfs/dbraw/zinc/89/16/31/491891631.db2.gz XYFWCNUNSOVKCZ-DZGCQCFKSA-N 2 2 354.476 0.023 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cn21 ZINC000595275046 491910390 /nfs/dbraw/zinc/91/03/90/491910390.db2.gz ZBHBRLIBHDPNDO-CABCVRRESA-N 2 2 356.430 0.139 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(F)(F)F ZINC000612463964 491921045 /nfs/dbraw/zinc/92/10/45/491921045.db2.gz KJRRJOSBBFGTES-IJLUTSLNSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000612463964 491921047 /nfs/dbraw/zinc/92/10/47/491921047.db2.gz KJRRJOSBBFGTES-IJLUTSLNSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000612463964 491921049 /nfs/dbraw/zinc/92/10/49/491921049.db2.gz KJRRJOSBBFGTES-IJLUTSLNSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(F)(F)F ZINC000612463964 491921051 /nfs/dbraw/zinc/92/10/51/491921051.db2.gz KJRRJOSBBFGTES-IJLUTSLNSA-N 2 2 350.385 0.338 20 0 FCADLP COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337023 491921498 /nfs/dbraw/zinc/92/14/98/491921498.db2.gz ITGDGLBDOMLDMB-JKSUJKDBSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337023 491921500 /nfs/dbraw/zinc/92/15/00/491921500.db2.gz ITGDGLBDOMLDMB-JKSUJKDBSA-N 2 2 355.479 0.582 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](NC(=O)Cn1cc[nH+]c1C)C(F)(F)F ZINC000612465103 491921540 /nfs/dbraw/zinc/92/15/40/491921540.db2.gz NFFNZRNRXDJXST-LBPRGKRZSA-N 2 2 372.351 0.560 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000612542579 491930903 /nfs/dbraw/zinc/93/09/03/491930903.db2.gz JHLMZEKKHLKUII-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000612542579 491930906 /nfs/dbraw/zinc/93/09/06/491930906.db2.gz JHLMZEKKHLKUII-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595822687 491955301 /nfs/dbraw/zinc/95/53/01/491955301.db2.gz BTXPRFNJDMQOHA-KFESYUHLSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595822687 491955302 /nfs/dbraw/zinc/95/53/02/491955302.db2.gz BTXPRFNJDMQOHA-KFESYUHLSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595822687 491955304 /nfs/dbraw/zinc/95/53/04/491955304.db2.gz BTXPRFNJDMQOHA-KFESYUHLSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@@H]1C ZINC000595822687 491955305 /nfs/dbraw/zinc/95/53/05/491955305.db2.gz BTXPRFNJDMQOHA-KFESYUHLSA-N 2 2 370.490 0.609 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)C2)CC1 ZINC000602372822 491982092 /nfs/dbraw/zinc/98/20/92/491982092.db2.gz PABLHTMQXUCXEK-SJORKVTESA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)C2)CC1 ZINC000602372822 491982094 /nfs/dbraw/zinc/98/20/94/491982094.db2.gz PABLHTMQXUCXEK-SJORKVTESA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000602486069 491988946 /nfs/dbraw/zinc/98/89/46/491988946.db2.gz SCMWDPATNOHJIE-HKUYNNGSSA-N 2 2 362.522 0.915 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000602486069 491988949 /nfs/dbraw/zinc/98/89/49/491988949.db2.gz SCMWDPATNOHJIE-HKUYNNGSSA-N 2 2 362.522 0.915 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000602514681 491990821 /nfs/dbraw/zinc/99/08/21/491990821.db2.gz UMKKHOFEBYAJIR-YOEHRIQHSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000602514681 491990824 /nfs/dbraw/zinc/99/08/24/491990824.db2.gz UMKKHOFEBYAJIR-YOEHRIQHSA-N 2 2 363.458 0.661 20 0 FCADLP CCOC(=O)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000613729353 491993791 /nfs/dbraw/zinc/99/37/91/491993791.db2.gz BCMNKSXBIMDOFO-AWEZNQCLSA-N 2 2 352.479 0.797 20 0 FCADLP CCOC(=O)C1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000613729353 491993792 /nfs/dbraw/zinc/99/37/92/491993792.db2.gz BCMNKSXBIMDOFO-AWEZNQCLSA-N 2 2 352.479 0.797 20 0 FCADLP C[NH+](C)C1(C(=O)NCCc2csc(NC(=O)C3([NH+](C)C)CC3)n2)CC1 ZINC000614133345 492016370 /nfs/dbraw/zinc/01/63/70/492016370.db2.gz NNVYIVJVOSYKMJ-UHFFFAOYSA-N 2 2 365.503 0.929 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000603290985 492024839 /nfs/dbraw/zinc/02/48/39/492024839.db2.gz DYRYSWZFGWWHSR-INIZCTEOSA-N 2 2 355.508 0.313 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614440264 492029883 /nfs/dbraw/zinc/02/98/83/492029883.db2.gz IVBNKNKDANCINC-OAHLLOKOSA-N 2 2 356.430 0.989 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603867472 492044084 /nfs/dbraw/zinc/04/40/84/492044084.db2.gz SWTNFGZLIWXNAC-RVKKMQEKSA-N 2 2 370.453 0.519 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603867472 492044087 /nfs/dbraw/zinc/04/40/87/492044087.db2.gz SWTNFGZLIWXNAC-RVKKMQEKSA-N 2 2 370.453 0.519 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000614747631 492052546 /nfs/dbraw/zinc/05/25/46/492052546.db2.gz ONBYMDYBTNPIGG-HNNXBMFYSA-N 2 2 361.490 0.895 20 0 FCADLP CC(=O)NC1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604187954 492053509 /nfs/dbraw/zinc/05/35/09/492053509.db2.gz OIILZGPDVVEWDR-OFLPRAFFSA-N 2 2 365.522 0.901 20 0 FCADLP CC(=O)NC1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604187954 492053511 /nfs/dbraw/zinc/05/35/11/492053511.db2.gz OIILZGPDVVEWDR-OFLPRAFFSA-N 2 2 365.522 0.901 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](CO)Cc3ccco3)C2)CC1 ZINC000604209856 492054753 /nfs/dbraw/zinc/05/47/53/492054753.db2.gz SZONGWMDFARGFN-HZPDHXFCSA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](CO)Cc3ccco3)C2)CC1 ZINC000604209856 492054754 /nfs/dbraw/zinc/05/47/54/492054754.db2.gz SZONGWMDFARGFN-HZPDHXFCSA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](O)COCC3CC3)C2)CC1 ZINC000604207410 492055171 /nfs/dbraw/zinc/05/51/71/492055171.db2.gz DAABMTWRWRTCGC-RDJZCZTQSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](O)COCC3CC3)C2)CC1 ZINC000604207410 492055172 /nfs/dbraw/zinc/05/51/72/492055172.db2.gz DAABMTWRWRTCGC-RDJZCZTQSA-N 2 2 354.495 0.242 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604651864 492065652 /nfs/dbraw/zinc/06/56/52/492065652.db2.gz TUFUUKNMZAYOFK-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604651864 492065653 /nfs/dbraw/zinc/06/56/53/492065653.db2.gz TUFUUKNMZAYOFK-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604651864 492065654 /nfs/dbraw/zinc/06/56/54/492065654.db2.gz TUFUUKNMZAYOFK-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604651864 492065655 /nfs/dbraw/zinc/06/56/55/492065655.db2.gz TUFUUKNMZAYOFK-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604651862 492066260 /nfs/dbraw/zinc/06/62/60/492066260.db2.gz TUFUUKNMZAYOFK-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604651862 492066261 /nfs/dbraw/zinc/06/62/61/492066261.db2.gz TUFUUKNMZAYOFK-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604651862 492066263 /nfs/dbraw/zinc/06/62/63/492066263.db2.gz TUFUUKNMZAYOFK-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604651862 492066265 /nfs/dbraw/zinc/06/62/65/492066265.db2.gz TUFUUKNMZAYOFK-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615093975 492072973 /nfs/dbraw/zinc/07/29/73/492072973.db2.gz BGJMDYITJWKGNS-SJORKVTESA-N 2 2 368.547 0.043 20 0 FCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615093975 492072975 /nfs/dbraw/zinc/07/29/75/492072975.db2.gz BGJMDYITJWKGNS-SJORKVTESA-N 2 2 368.547 0.043 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000615339707 492086735 /nfs/dbraw/zinc/08/67/35/492086735.db2.gz SGHLXBDLPIZWSZ-UHFFFAOYSA-N 2 2 355.442 0.777 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](O)C3CCOCC3)C2)CC1 ZINC000605877424 492104276 /nfs/dbraw/zinc/10/42/76/492104276.db2.gz GMGDJBUAUHRNCP-RDJZCZTQSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](O)C3CCOCC3)C2)CC1 ZINC000605877424 492104277 /nfs/dbraw/zinc/10/42/77/492104277.db2.gz GMGDJBUAUHRNCP-RDJZCZTQSA-N 2 2 354.495 0.242 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605968800 492108869 /nfs/dbraw/zinc/10/88/69/492108869.db2.gz IQPCQZMUJNPXTR-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605968800 492108871 /nfs/dbraw/zinc/10/88/71/492108871.db2.gz IQPCQZMUJNPXTR-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013275 492162316 /nfs/dbraw/zinc/16/23/16/492162316.db2.gz ZXIINZWYGVMGJA-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013275 492162318 /nfs/dbraw/zinc/16/23/18/492162318.db2.gz ZXIINZWYGVMGJA-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1CC(=O)NCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000608660177 492184809 /nfs/dbraw/zinc/18/48/09/492184809.db2.gz BZAIOHSKUJPFBM-CQSZACIVSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)CO1 ZINC000617728695 492185566 /nfs/dbraw/zinc/18/55/66/492185566.db2.gz WYBHRSZDFICVNT-STQMWFEESA-N 2 2 360.462 0.873 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)CO1 ZINC000617728695 492185569 /nfs/dbraw/zinc/18/55/69/492185569.db2.gz WYBHRSZDFICVNT-STQMWFEESA-N 2 2 360.462 0.873 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000608680509 492186290 /nfs/dbraw/zinc/18/62/90/492186290.db2.gz XHJUHWGHUUZANL-CQSZACIVSA-N 2 2 369.535 0.030 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000608691431 492187437 /nfs/dbraw/zinc/18/74/37/492187437.db2.gz SJLFZKPVZZLGMX-HZPDHXFCSA-N 2 2 362.478 0.817 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000608691431 492187440 /nfs/dbraw/zinc/18/74/40/492187440.db2.gz SJLFZKPVZZLGMX-HZPDHXFCSA-N 2 2 362.478 0.817 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691403 492187554 /nfs/dbraw/zinc/18/75/54/492187554.db2.gz QGCXHFCHBALDNS-GJZGRUSLSA-N 2 2 362.478 0.886 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691403 492187555 /nfs/dbraw/zinc/18/75/55/492187555.db2.gz QGCXHFCHBALDNS-GJZGRUSLSA-N 2 2 362.478 0.886 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1C ZINC000617765100 492190250 /nfs/dbraw/zinc/19/02/50/492190250.db2.gz TXFOZOWZFGVHHH-RDJZCZTQSA-N 2 2 351.495 0.806 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1C ZINC000617765100 492190252 /nfs/dbraw/zinc/19/02/52/492190252.db2.gz TXFOZOWZFGVHHH-RDJZCZTQSA-N 2 2 351.495 0.806 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000599587812 492191529 /nfs/dbraw/zinc/19/15/29/492191529.db2.gz HKVQNHWELBRYKG-IRXDYDNUSA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000599587812 492191532 /nfs/dbraw/zinc/19/15/32/492191532.db2.gz HKVQNHWELBRYKG-IRXDYDNUSA-N 2 2 369.506 0.829 20 0 FCADLP CC[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000618308199 492222112 /nfs/dbraw/zinc/22/21/12/492222112.db2.gz AWYAELQDIADMCE-HZPDHXFCSA-N 2 2 356.511 0.354 20 0 FCADLP CC[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000618308199 492222113 /nfs/dbraw/zinc/22/21/13/492222113.db2.gz AWYAELQDIADMCE-HZPDHXFCSA-N 2 2 356.511 0.354 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000619127377 492250799 /nfs/dbraw/zinc/25/07/99/492250799.db2.gz DKDYNEYUMAGECE-UHFFFAOYSA-N 2 2 373.501 0.839 20 0 FCADLP CC(C)CS(=O)(=O)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000619180080 492252415 /nfs/dbraw/zinc/25/24/15/492252415.db2.gz CJKAXPVLQZWMQA-UHFFFAOYSA-N 2 2 354.476 0.843 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000610908370 492268900 /nfs/dbraw/zinc/26/89/00/492268900.db2.gz HOHBRGPUXQRQSN-BRWVUGGUSA-N 2 2 353.511 0.127 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000610908370 492268902 /nfs/dbraw/zinc/26/89/02/492268902.db2.gz HOHBRGPUXQRQSN-BRWVUGGUSA-N 2 2 353.511 0.127 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000611088315 492277984 /nfs/dbraw/zinc/27/79/84/492277984.db2.gz PELZIOMHXNLZDS-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000611088315 492277985 /nfs/dbraw/zinc/27/79/85/492277985.db2.gz PELZIOMHXNLZDS-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000611088315 492277987 /nfs/dbraw/zinc/27/79/87/492277987.db2.gz PELZIOMHXNLZDS-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000611088315 492277989 /nfs/dbraw/zinc/27/79/89/492277989.db2.gz PELZIOMHXNLZDS-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CN(C)c1ncc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1C ZINC000641787226 492305820 /nfs/dbraw/zinc/30/58/20/492305820.db2.gz RZKYSBCSCGPFLC-INIZCTEOSA-N 2 2 350.511 0.372 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000654452481 492306790 /nfs/dbraw/zinc/30/67/90/492306790.db2.gz TWPNZSPADSGORF-JJRVBVJISA-N 2 2 360.462 0.523 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000654452481 492306793 /nfs/dbraw/zinc/30/67/93/492306793.db2.gz TWPNZSPADSGORF-JJRVBVJISA-N 2 2 360.462 0.523 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481488 492312854 /nfs/dbraw/zinc/31/28/54/492312854.db2.gz FHAZISMXCCFLKZ-SFHVURJKSA-N 2 2 373.501 0.261 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620481488 492312859 /nfs/dbraw/zinc/31/28/59/492312859.db2.gz FHAZISMXCCFLKZ-SFHVURJKSA-N 2 2 373.501 0.261 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000654508436 492314155 /nfs/dbraw/zinc/31/41/55/492314155.db2.gz DLVGBTMVEUGUNF-UHFFFAOYSA-N 2 2 352.487 0.253 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568581 492315674 /nfs/dbraw/zinc/31/56/74/492315674.db2.gz OXVMLGZPSAWHFH-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568581 492315679 /nfs/dbraw/zinc/31/56/79/492315679.db2.gz OXVMLGZPSAWHFH-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000627484028 492317921 /nfs/dbraw/zinc/31/79/21/492317921.db2.gz POGCXMGDZQCCNW-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000627484028 492317923 /nfs/dbraw/zinc/31/79/23/492317923.db2.gz POGCXMGDZQCCNW-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000634194458 492324770 /nfs/dbraw/zinc/32/47/70/492324770.db2.gz SBVMTECCSGKBRB-CYBMUJFWSA-N 2 2 352.460 0.597 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@](C)(O)Cn3ccccc3=O)c2)CC1 ZINC000634194705 492325235 /nfs/dbraw/zinc/32/52/35/492325235.db2.gz WTLLFFOTGMICNM-LJQANCHMSA-N 2 2 371.441 0.385 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000647613259 492334923 /nfs/dbraw/zinc/33/49/23/492334923.db2.gz QIGDKYLDLIOAJY-LBPRGKRZSA-N 2 2 372.351 0.723 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654728811 492344082 /nfs/dbraw/zinc/34/40/82/492344082.db2.gz BGNCNSZXZIEHDV-LSDHHAIUSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654728811 492344084 /nfs/dbraw/zinc/34/40/84/492344084.db2.gz BGNCNSZXZIEHDV-LSDHHAIUSA-N 2 2 351.495 0.594 20 0 FCADLP CN(C(=O)Cn1nnc2c1CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773887 492349918 /nfs/dbraw/zinc/34/99/18/492349918.db2.gz LQTYHPRPRUMKBD-INIZCTEOSA-N 2 2 360.506 0.784 20 0 FCADLP CN(C(=O)Cn1nnc2c1CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773887 492349919 /nfs/dbraw/zinc/34/99/19/492349919.db2.gz LQTYHPRPRUMKBD-INIZCTEOSA-N 2 2 360.506 0.784 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000654788175 492352205 /nfs/dbraw/zinc/35/22/05/492352205.db2.gz RZRCZENUFOJVIX-CQSZACIVSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000642337427 492352300 /nfs/dbraw/zinc/35/23/00/492352300.db2.gz ACPKTHBRXJTXNB-YYIAUSFCSA-N 2 2 366.506 0.332 20 0 FCADLP CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000627619431 492352638 /nfs/dbraw/zinc/35/26/38/492352638.db2.gz GYCHWIUTNPBRSL-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000647765352 492357128 /nfs/dbraw/zinc/35/71/28/492357128.db2.gz MFXXQYWFMYCDMG-IAGOWNOFSA-N 2 2 371.547 0.621 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634638755 492357597 /nfs/dbraw/zinc/35/75/97/492357597.db2.gz VEWUKDNIAFGNRS-HXUWFJFHSA-N 2 2 360.502 0.329 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634638755 492357600 /nfs/dbraw/zinc/35/76/00/492357600.db2.gz VEWUKDNIAFGNRS-HXUWFJFHSA-N 2 2 360.502 0.329 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703078 492360511 /nfs/dbraw/zinc/36/05/11/492360511.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703078 492360513 /nfs/dbraw/zinc/36/05/13/492360513.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703078 492360515 /nfs/dbraw/zinc/36/05/15/492360515.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703078 492360516 /nfs/dbraw/zinc/36/05/16/492360516.db2.gz PIQBBPHVKLFSMF-FPOVZHCZSA-N 3 2 374.529 0.800 20 0 FCADLP CNS(=O)(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000621257167 492365343 /nfs/dbraw/zinc/36/53/43/492365343.db2.gz KLDWDQHBJZBIJX-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP CNS(=O)(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000621257167 492365349 /nfs/dbraw/zinc/36/53/49/492365349.db2.gz KLDWDQHBJZBIJX-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814595 492365385 /nfs/dbraw/zinc/36/53/85/492365385.db2.gz VAQIPCIOFJRHLI-UHFFFAOYSA-N 2 2 352.460 0.489 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814595 492365388 /nfs/dbraw/zinc/36/53/88/492365388.db2.gz VAQIPCIOFJRHLI-UHFFFAOYSA-N 2 2 352.460 0.489 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])[nH+]c12 ZINC000642638917 492368014 /nfs/dbraw/zinc/36/80/14/492368014.db2.gz SPPRTFVUADEACC-ZBFHGGJFSA-N 2 2 357.458 0.935 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])[nH+]c12 ZINC000642638914 492368286 /nfs/dbraw/zinc/36/82/86/492368286.db2.gz SPPRTFVUADEACC-GDBMZVCRSA-N 2 2 357.458 0.935 20 0 FCADLP Nc1nn2c(nc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2=O)[nH]1 ZINC000621288599 492370573 /nfs/dbraw/zinc/37/05/73/492370573.db2.gz BLONSZVNOSUBFH-GASCZTMLSA-N 2 2 365.441 0.394 20 0 FCADLP Nc1nn2c(nc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2=O)[nH]1 ZINC000621288599 492370575 /nfs/dbraw/zinc/37/05/75/492370575.db2.gz BLONSZVNOSUBFH-GASCZTMLSA-N 2 2 365.441 0.394 20 0 FCADLP Nc1nn2c(nc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2=O)[nH]1 ZINC000621288599 492370577 /nfs/dbraw/zinc/37/05/77/492370577.db2.gz BLONSZVNOSUBFH-GASCZTMLSA-N 2 2 365.441 0.394 20 0 FCADLP Nc1nn2c(nc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2=O)[nH]1 ZINC000621288599 492370580 /nfs/dbraw/zinc/37/05/80/492370580.db2.gz BLONSZVNOSUBFH-GASCZTMLSA-N 2 2 365.441 0.394 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657848 492371062 /nfs/dbraw/zinc/37/10/62/492371062.db2.gz IPPPFKRCHXVVHY-MSOLQXFVSA-N 2 2 370.538 0.999 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657848 492371065 /nfs/dbraw/zinc/37/10/65/492371065.db2.gz IPPPFKRCHXVVHY-MSOLQXFVSA-N 2 2 370.538 0.999 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CCC[NH3+])ccc1Cl ZINC000647850103 492371256 /nfs/dbraw/zinc/37/12/56/492371256.db2.gz DDOUTXQJEUFFNF-UHFFFAOYSA-N 2 2 362.883 0.809 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CCC[NH3+])ccc1Cl ZINC000647850103 492371258 /nfs/dbraw/zinc/37/12/58/492371258.db2.gz DDOUTXQJEUFFNF-UHFFFAOYSA-N 2 2 362.883 0.809 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c[nH+]1 ZINC000642687094 492373093 /nfs/dbraw/zinc/37/30/93/492373093.db2.gz JPRQZOSUMHYIBF-JKSUJKDBSA-N 2 2 359.474 0.754 20 0 FCADLP O=C1CC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCN1 ZINC000634960818 492373899 /nfs/dbraw/zinc/37/38/99/492373899.db2.gz DBTJWVRQENRMNO-JKSUJKDBSA-N 2 2 374.489 0.540 20 0 FCADLP O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647873362 492375314 /nfs/dbraw/zinc/37/53/14/492375314.db2.gz AONOAZMMEQHURK-UHFFFAOYSA-N 2 2 374.457 0.176 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931241 492384705 /nfs/dbraw/zinc/38/47/05/492384705.db2.gz SYVBDCHOLVMFMX-RDJZCZTQSA-N 2 2 366.506 0.286 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931241 492384709 /nfs/dbraw/zinc/38/47/09/492384709.db2.gz SYVBDCHOLVMFMX-RDJZCZTQSA-N 2 2 366.506 0.286 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647971877 492389296 /nfs/dbraw/zinc/38/92/96/492389296.db2.gz XAQZGADSVFZZKN-CABCVRRESA-N 2 2 360.458 0.445 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647971877 492389301 /nfs/dbraw/zinc/38/93/01/492389301.db2.gz XAQZGADSVFZZKN-CABCVRRESA-N 2 2 360.458 0.445 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cn2)CC1 ZINC000648071451 492397594 /nfs/dbraw/zinc/39/75/94/492397594.db2.gz CLZQBOOCWHOIAB-UHFFFAOYSA-N 3 2 360.506 0.525 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cn2)CC1 ZINC000648071451 492397596 /nfs/dbraw/zinc/39/75/96/492397596.db2.gz CLZQBOOCWHOIAB-UHFFFAOYSA-N 3 2 360.506 0.525 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000655074547 492399688 /nfs/dbraw/zinc/39/96/88/492399688.db2.gz JVVSCKOETSHQKN-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000655081086 492400476 /nfs/dbraw/zinc/40/04/76/492400476.db2.gz BWDKFJGUKWRYNZ-QWRGUYRKSA-N 2 2 363.384 0.639 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905677 492400520 /nfs/dbraw/zinc/40/05/20/492400520.db2.gz RMXXMPXZGWZILM-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905677 492400525 /nfs/dbraw/zinc/40/05/25/492400525.db2.gz RMXXMPXZGWZILM-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000648150336 492408934 /nfs/dbraw/zinc/40/89/34/492408934.db2.gz YUZWESUOCSCGAG-KDOFPFPSSA-N 2 2 354.495 0.189 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000648150336 492408938 /nfs/dbraw/zinc/40/89/38/492408938.db2.gz YUZWESUOCSCGAG-KDOFPFPSSA-N 2 2 354.495 0.189 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648172834 492411770 /nfs/dbraw/zinc/41/17/70/492411770.db2.gz ALMHZIPCHSFPFZ-IRXDYDNUSA-N 2 2 371.460 0.945 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621839811 492422612 /nfs/dbraw/zinc/42/26/12/492422612.db2.gz ZCSIWLAWLBFWAH-QINHECLXSA-N 2 2 367.453 0.966 20 0 FCADLP C[NH+]1CCN(c2cccc(C(=O)NC3CC([NH+]4CCOCC4)C3)n2)CC1 ZINC000627936927 492423949 /nfs/dbraw/zinc/42/39/49/492423949.db2.gz DKFYWJPEPPBXSX-UHFFFAOYSA-N 2 2 359.474 0.426 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000622025643 492441735 /nfs/dbraw/zinc/44/17/35/492441735.db2.gz VIEDOVPJRHWRFN-KSSFIOAISA-N 2 2 362.499 0.732 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000622025489 492442064 /nfs/dbraw/zinc/44/20/64/492442064.db2.gz QWWFKUKXYGWXPN-QKLQHJQFSA-N 2 2 356.470 0.842 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000622025489 492442068 /nfs/dbraw/zinc/44/20/68/492442068.db2.gz QWWFKUKXYGWXPN-QKLQHJQFSA-N 2 2 356.470 0.842 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1)[C@H]1CCC[NH2+]1 ZINC000655450555 492443983 /nfs/dbraw/zinc/44/39/83/492443983.db2.gz SDKFUNDTKMNSHL-HRCADAONSA-N 2 2 359.474 0.552 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397676 492448443 /nfs/dbraw/zinc/44/84/43/492448443.db2.gz IHZGSMIXMAVFTI-AEFFLSMTSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397676 492448446 /nfs/dbraw/zinc/44/84/46/492448446.db2.gz IHZGSMIXMAVFTI-AEFFLSMTSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@@H+]1C ZINC000648792671 492456872 /nfs/dbraw/zinc/45/68/72/492456872.db2.gz RNJOORGPMNYSHN-HZPDHXFCSA-N 2 2 374.489 0.302 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[N@H+]1C ZINC000648792671 492456877 /nfs/dbraw/zinc/45/68/77/492456877.db2.gz RNJOORGPMNYSHN-HZPDHXFCSA-N 2 2 374.489 0.302 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@@H+]1C ZINC000648792671 492456883 /nfs/dbraw/zinc/45/68/83/492456883.db2.gz RNJOORGPMNYSHN-HZPDHXFCSA-N 2 2 374.489 0.302 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[N@H+]1C ZINC000648792671 492456888 /nfs/dbraw/zinc/45/68/88/492456888.db2.gz RNJOORGPMNYSHN-HZPDHXFCSA-N 2 2 374.489 0.302 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000635551193 492469052 /nfs/dbraw/zinc/46/90/52/492469052.db2.gz ZKWIFQSDURVFQS-CVEARBPZSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000635553745 492470197 /nfs/dbraw/zinc/47/01/97/492470197.db2.gz DOVUZTHNAQWPQK-HUUCEWRRSA-N 2 2 362.478 0.348 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000635553745 492470199 /nfs/dbraw/zinc/47/01/99/492470199.db2.gz DOVUZTHNAQWPQK-HUUCEWRRSA-N 2 2 362.478 0.348 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635557095 492471368 /nfs/dbraw/zinc/47/13/68/492471368.db2.gz YXFLUAATCXJPPH-UHFFFAOYSA-N 2 2 357.414 0.472 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000643474094 492472364 /nfs/dbraw/zinc/47/23/64/492472364.db2.gz WMQONKIOEDXYAN-SJORKVTESA-N 2 2 371.485 0.578 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000643476925 492473362 /nfs/dbraw/zinc/47/33/62/492473362.db2.gz FIHREBLJDZZWDZ-MOPGFXCFSA-N 2 2 370.497 0.707 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643476753 492473567 /nfs/dbraw/zinc/47/35/67/492473567.db2.gz PEIPGGVAACLYAT-HOTGVXAUSA-N 2 2 354.495 0.141 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643476755 492473595 /nfs/dbraw/zinc/47/35/95/492473595.db2.gz PEIPGGVAACLYAT-JKSUJKDBSA-N 2 2 354.495 0.141 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479652 492475285 /nfs/dbraw/zinc/47/52/85/492475285.db2.gz HSLCMMBSLJXRIB-CVEARBPZSA-N 2 2 362.499 0.603 20 0 FCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635579032 492476758 /nfs/dbraw/zinc/47/67/58/492476758.db2.gz WSEKDXVQOQQHCH-DOTOQJQBSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635579032 492476759 /nfs/dbraw/zinc/47/67/59/492476759.db2.gz WSEKDXVQOQQHCH-DOTOQJQBSA-N 2 2 364.490 0.053 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000635596286 492479495 /nfs/dbraw/zinc/47/94/95/492479495.db2.gz IUODIRVBKHKIPB-UHFFFAOYSA-N 2 2 356.474 0.597 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000635596286 492479499 /nfs/dbraw/zinc/47/94/99/492479499.db2.gz IUODIRVBKHKIPB-UHFFFAOYSA-N 2 2 356.474 0.597 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1C ZINC000643503109 492483853 /nfs/dbraw/zinc/48/38/53/492483853.db2.gz KIBKXKJZJZJDCK-GDBMZVCRSA-N 2 2 360.458 0.876 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000643581142 492499301 /nfs/dbraw/zinc/49/93/01/492499301.db2.gz ZDPMEOMRPSGTIL-UHFFFAOYSA-N 2 2 374.489 0.379 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H](C)C[NH2+]1 ZINC000643581075 492499664 /nfs/dbraw/zinc/49/96/64/492499664.db2.gz IORIRDBHAOIKLH-KGLIPLIRSA-N 2 2 350.488 0.601 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000628576005 492520007 /nfs/dbraw/zinc/52/00/07/492520007.db2.gz PONSMLRRBLFBAB-QFBILLFUSA-N 2 2 351.491 0.593 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000628576005 492520010 /nfs/dbraw/zinc/52/00/10/492520010.db2.gz PONSMLRRBLFBAB-QFBILLFUSA-N 2 2 351.491 0.593 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649281589 492520588 /nfs/dbraw/zinc/52/05/88/492520588.db2.gz VJKKAGXWUCKIGB-SJORKVTESA-N 2 2 370.457 0.616 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1)N1CCCC1 ZINC000649287503 492523005 /nfs/dbraw/zinc/52/30/05/492523005.db2.gz LTMGZSIWLOWBLT-CQSZACIVSA-N 2 2 358.433 0.388 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1)N1CCCC1 ZINC000649287503 492523009 /nfs/dbraw/zinc/52/30/09/492523009.db2.gz LTMGZSIWLOWBLT-CQSZACIVSA-N 2 2 358.433 0.388 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1CC)C(=O)NCC[NH+]1CCOCC1 ZINC000649301036 492526925 /nfs/dbraw/zinc/52/69/25/492526925.db2.gz CCUBYYKCZYVZPI-QAETUUGQSA-N 2 2 368.522 0.354 20 0 FCADLP [NH3+][C@H]1CCCCN(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000649302921 492528021 /nfs/dbraw/zinc/52/80/21/492528021.db2.gz DZPYDBLBHJVKMM-INIZCTEOSA-N 2 2 360.458 0.797 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649319943 492532177 /nfs/dbraw/zinc/53/21/77/492532177.db2.gz DFOAGOLFXOSKSZ-MRXNPFEDSA-N 2 2 370.457 0.779 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000656080761 492541196 /nfs/dbraw/zinc/54/11/96/492541196.db2.gz GLFNXJUCPGZJAE-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305462 492542839 /nfs/dbraw/zinc/54/28/39/492542839.db2.gz SFBJNJOAHTYJIA-ARFHVFGLSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305462 492542842 /nfs/dbraw/zinc/54/28/42/492542842.db2.gz SFBJNJOAHTYJIA-ARFHVFGLSA-N 2 2 359.474 0.647 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649409626 492551709 /nfs/dbraw/zinc/55/17/09/492551709.db2.gz FYVKLKCZCLNJNR-UHFFFAOYSA-N 3 2 365.547 0.229 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649409626 492551712 /nfs/dbraw/zinc/55/17/12/492551712.db2.gz FYVKLKCZCLNJNR-UHFFFAOYSA-N 3 2 365.547 0.229 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCO1 ZINC000649410610 492552332 /nfs/dbraw/zinc/55/23/32/492552332.db2.gz KISWZJDYSSXLDS-GDBMZVCRSA-N 2 2 352.504 0.440 20 0 FCADLP C[N@@H+]1CC[C@](N)(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799366 492564499 /nfs/dbraw/zinc/56/44/99/492564499.db2.gz ZVTBKPSIQIDSLI-HNAYVOBHSA-N 2 2 359.474 0.695 20 0 FCADLP C[N@H+]1CC[C@](N)(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799366 492564502 /nfs/dbraw/zinc/56/45/02/492564502.db2.gz ZVTBKPSIQIDSLI-HNAYVOBHSA-N 2 2 359.474 0.695 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636253427 492570209 /nfs/dbraw/zinc/57/02/09/492570209.db2.gz KWAZZVCJKLQYLB-GOSISDBHSA-N 2 2 350.463 0.739 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636253427 492570212 /nfs/dbraw/zinc/57/02/12/492570212.db2.gz KWAZZVCJKLQYLB-GOSISDBHSA-N 2 2 350.463 0.739 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000623618235 492574060 /nfs/dbraw/zinc/57/40/60/492574060.db2.gz IZVHJPARDOXASN-AWEZNQCLSA-N 2 2 353.492 0.409 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000623618235 492574065 /nfs/dbraw/zinc/57/40/65/492574065.db2.gz IZVHJPARDOXASN-AWEZNQCLSA-N 2 2 353.492 0.409 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000656295334 492574120 /nfs/dbraw/zinc/57/41/20/492574120.db2.gz IHXDNRKXPXJHOC-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307020 492580646 /nfs/dbraw/zinc/58/06/46/492580646.db2.gz LYMRPGVHUHBMMT-WCVJEAGWSA-N 2 2 368.522 0.447 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307020 492580650 /nfs/dbraw/zinc/58/06/50/492580650.db2.gz LYMRPGVHUHBMMT-WCVJEAGWSA-N 2 2 368.522 0.447 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1C ZINC000656311763 492585684 /nfs/dbraw/zinc/58/56/84/492585684.db2.gz HTCCXWKAOUMTCV-GJZGRUSLSA-N 2 2 362.478 0.235 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000656312650 492587088 /nfs/dbraw/zinc/58/70/88/492587088.db2.gz WZPRBKKVPHBDBW-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460140 492592223 /nfs/dbraw/zinc/59/22/23/492592223.db2.gz AJTLPEQKEJRTEU-HUUCEWRRSA-N 2 2 368.503 0.487 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460140 492592227 /nfs/dbraw/zinc/59/22/27/492592227.db2.gz AJTLPEQKEJRTEU-HUUCEWRRSA-N 2 2 368.503 0.487 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CCCC1 ZINC000636466034 492593893 /nfs/dbraw/zinc/59/38/93/492593893.db2.gz TZFMGJDQKPOBMT-LJQANCHMSA-N 2 2 368.522 0.776 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CCCC1 ZINC000636466034 492593898 /nfs/dbraw/zinc/59/38/98/492593898.db2.gz TZFMGJDQKPOBMT-LJQANCHMSA-N 2 2 368.522 0.776 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000623783757 492595118 /nfs/dbraw/zinc/59/51/18/492595118.db2.gz SWUKSKHKMAQEPP-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000623783757 492595120 /nfs/dbraw/zinc/59/51/20/492595120.db2.gz SWUKSKHKMAQEPP-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656358934 492613013 /nfs/dbraw/zinc/61/30/13/492613013.db2.gz NIDVXMPDRFWLHY-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656358934 492613016 /nfs/dbraw/zinc/61/30/16/492613016.db2.gz NIDVXMPDRFWLHY-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656358934 492613019 /nfs/dbraw/zinc/61/30/19/492613019.db2.gz NIDVXMPDRFWLHY-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656358934 492613022 /nfs/dbraw/zinc/61/30/22/492613022.db2.gz NIDVXMPDRFWLHY-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP OCc1cc(-n2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)cc[nH+]1 ZINC000656458554 492622939 /nfs/dbraw/zinc/62/29/39/492622939.db2.gz BBXHNGIGVTXKOU-UHFFFAOYSA-N 2 2 355.402 0.232 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000656474568 492624003 /nfs/dbraw/zinc/62/40/03/492624003.db2.gz YXBLNZOQCNJZBN-IRXDYDNUSA-N 2 2 350.438 0.903 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(OC)cn3)CC2)CC1 ZINC000650318612 492633016 /nfs/dbraw/zinc/63/30/16/492633016.db2.gz XGULSLHFQKSCOY-UHFFFAOYSA-N 2 2 361.490 0.813 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH+]cn2)CC1=O ZINC000656609420 492636595 /nfs/dbraw/zinc/63/65/95/492636595.db2.gz OORHMZRZQJXCQF-MRXNPFEDSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H](C4CC[NH2+]CC4)C3)nc[nH+]2)CC1=O ZINC000656609420 492636601 /nfs/dbraw/zinc/63/66/01/492636601.db2.gz OORHMZRZQJXCQF-MRXNPFEDSA-N 2 2 358.490 0.971 20 0 FCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000624329832 492638786 /nfs/dbraw/zinc/63/87/86/492638786.db2.gz IKKJAKGYBBFDKP-KRWDZBQOSA-N 2 2 354.495 0.507 20 0 FCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000624329832 492638788 /nfs/dbraw/zinc/63/87/88/492638788.db2.gz IKKJAKGYBBFDKP-KRWDZBQOSA-N 2 2 354.495 0.507 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699696 492643051 /nfs/dbraw/zinc/64/30/51/492643051.db2.gz SWOZXTBRLSNZAE-HOTGVXAUSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699696 492643054 /nfs/dbraw/zinc/64/30/54/492643054.db2.gz SWOZXTBRLSNZAE-HOTGVXAUSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000656699696 492643058 /nfs/dbraw/zinc/64/30/58/492643058.db2.gz SWOZXTBRLSNZAE-HOTGVXAUSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000656699696 492643062 /nfs/dbraw/zinc/64/30/62/492643062.db2.gz SWOZXTBRLSNZAE-HOTGVXAUSA-N 2 2 369.510 0.986 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650592652 492652038 /nfs/dbraw/zinc/65/20/38/492652038.db2.gz QJDQWRBVLMWAHN-MOPGFXCFSA-N 2 2 374.485 0.520 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650592652 492652041 /nfs/dbraw/zinc/65/20/41/492652041.db2.gz QJDQWRBVLMWAHN-MOPGFXCFSA-N 2 2 374.485 0.520 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000636670085 492654503 /nfs/dbraw/zinc/65/45/03/492654503.db2.gz WZSDZUVXCSGPGY-UHFFFAOYSA-N 2 2 373.457 0.667 20 0 FCADLP O=S1(=O)CCCN1c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1F ZINC000629577736 492654746 /nfs/dbraw/zinc/65/47/46/492654746.db2.gz SQCOMYXHAIPWGI-HNNXBMFYSA-N 2 2 371.478 0.912 20 0 FCADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644156997 492655174 /nfs/dbraw/zinc/65/51/74/492655174.db2.gz UESZMJCIRZPSBU-PBHICJAKSA-N 2 2 374.489 0.396 20 0 FCADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644156997 492655176 /nfs/dbraw/zinc/65/51/76/492655176.db2.gz UESZMJCIRZPSBU-PBHICJAKSA-N 2 2 374.489 0.396 20 0 FCADLP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)c2cc1C ZINC000629606134 492658342 /nfs/dbraw/zinc/65/83/42/492658342.db2.gz OKFAKKLZDPAUQL-WMZOPIPTSA-N 2 2 373.501 0.943 20 0 FCADLP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)c2cc1C ZINC000629606134 492658347 /nfs/dbraw/zinc/65/83/47/492658347.db2.gz OKFAKKLZDPAUQL-WMZOPIPTSA-N 2 2 373.501 0.943 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000650688266 492661386 /nfs/dbraw/zinc/66/13/86/492661386.db2.gz CNKFGUQLWRFPML-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000650688266 492661391 /nfs/dbraw/zinc/66/13/91/492661391.db2.gz CNKFGUQLWRFPML-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000629804490 492681231 /nfs/dbraw/zinc/68/12/31/492681231.db2.gz UYTDKLPLVXOGGP-INIZCTEOSA-N 2 2 362.474 0.153 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000629804490 492681232 /nfs/dbraw/zinc/68/12/32/492681232.db2.gz UYTDKLPLVXOGGP-INIZCTEOSA-N 2 2 362.474 0.153 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000629815687 492685723 /nfs/dbraw/zinc/68/57/23/492685723.db2.gz SGTCHVZCIXITBN-INIZCTEOSA-N 2 2 359.474 0.495 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC[N@@H+]1CCOC ZINC000629815860 492685741 /nfs/dbraw/zinc/68/57/41/492685741.db2.gz RPLMDKYKXMWOTR-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC[N@H+]1CCOC ZINC000629815860 492685745 /nfs/dbraw/zinc/68/57/45/492685745.db2.gz RPLMDKYKXMWOTR-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000650955847 492687316 /nfs/dbraw/zinc/68/73/16/492687316.db2.gz GYQFIGUEOLDLJU-KRWDZBQOSA-N 2 2 374.551 0.414 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793820 492695169 /nfs/dbraw/zinc/69/51/69/492695169.db2.gz GZKWEINQQKVCJG-SWLSCSKDSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)c1c(F)cccc1F ZINC000636793820 492695171 /nfs/dbraw/zinc/69/51/71/492695171.db2.gz GZKWEINQQKVCJG-SWLSCSKDSA-N 2 2 356.417 0.933 20 0 FCADLP C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000636813875 492701670 /nfs/dbraw/zinc/70/16/70/492701670.db2.gz JAOFHLFGRMLSBQ-BEFAXECRSA-N 2 2 368.522 0.632 20 0 FCADLP C[C@@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC[NH+](C)CC1 ZINC000636813875 492701674 /nfs/dbraw/zinc/70/16/74/492701674.db2.gz JAOFHLFGRMLSBQ-BEFAXECRSA-N 2 2 368.522 0.632 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921975 492728963 /nfs/dbraw/zinc/72/89/63/492728963.db2.gz OVZCRBSPWZESRO-ALKREAHSSA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921975 492728965 /nfs/dbraw/zinc/72/89/65/492728965.db2.gz OVZCRBSPWZESRO-ALKREAHSSA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636921975 492728967 /nfs/dbraw/zinc/72/89/67/492728967.db2.gz OVZCRBSPWZESRO-ALKREAHSSA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636921975 492728970 /nfs/dbraw/zinc/72/89/70/492728970.db2.gz OVZCRBSPWZESRO-ALKREAHSSA-N 2 2 366.506 0.384 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000636988495 492743506 /nfs/dbraw/zinc/74/35/06/492743506.db2.gz VBZYAOVRHXOBCN-QGZVFWFLSA-N 2 2 359.474 0.875 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCN3CCC([NH+](C)C)CC3)cc2[nH+]1 ZINC000657718216 492783262 /nfs/dbraw/zinc/78/32/62/492783262.db2.gz SYELEDAJQQHCHZ-UHFFFAOYSA-N 2 2 372.473 0.723 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1ccccc1 ZINC000644569122 492786012 /nfs/dbraw/zinc/78/60/12/492786012.db2.gz JMYACYRAEDJHPC-UXHICEINSA-N 2 2 363.502 0.560 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577675 492786806 /nfs/dbraw/zinc/78/68/06/492786806.db2.gz NATZCAJSUJWTSM-ROUUACIJSA-N 2 2 371.485 0.998 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577675 492786808 /nfs/dbraw/zinc/78/68/08/492786808.db2.gz NATZCAJSUJWTSM-ROUUACIJSA-N 2 2 371.485 0.998 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657743422 492787374 /nfs/dbraw/zinc/78/73/74/492787374.db2.gz BFKZHXLLXIWMBP-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657741365 492787796 /nfs/dbraw/zinc/78/77/96/492787796.db2.gz KAAUMSZDQJZUFM-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000644607533 492790687 /nfs/dbraw/zinc/79/06/87/492790687.db2.gz LKCNEWRIIXRJNP-SJORKVTESA-N 2 2 355.504 0.493 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000644607533 492790689 /nfs/dbraw/zinc/79/06/89/492790689.db2.gz LKCNEWRIIXRJNP-SJORKVTESA-N 2 2 355.504 0.493 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)C[C@H](C)O1 ZINC000644633633 492793585 /nfs/dbraw/zinc/79/35/85/492793585.db2.gz OFQZIABVKQLFIC-YYIAUSFCSA-N 2 2 351.495 0.449 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)C[C@H](C)O1 ZINC000644633633 492793587 /nfs/dbraw/zinc/79/35/87/492793587.db2.gz OFQZIABVKQLFIC-YYIAUSFCSA-N 2 2 351.495 0.449 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715340 492800888 /nfs/dbraw/zinc/80/08/88/492800888.db2.gz PSQROTSWKVZBFR-XCLNPWKQSA-N 2 2 373.497 0.694 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715340 492800890 /nfs/dbraw/zinc/80/08/90/492800890.db2.gz PSQROTSWKVZBFR-XCLNPWKQSA-N 2 2 373.497 0.694 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000637431112 492826600 /nfs/dbraw/zinc/82/66/00/492826600.db2.gz TTYFVRUJIAZTKE-HDICACEKSA-N 2 2 370.538 0.999 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990002 492836297 /nfs/dbraw/zinc/83/62/97/492836297.db2.gz PRSGJESJHDZSGU-WTGUMLROSA-N 4 2 356.514 0.998 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990002 492836300 /nfs/dbraw/zinc/83/63/00/492836300.db2.gz PRSGJESJHDZSGU-WTGUMLROSA-N 4 2 356.514 0.998 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631724744 492842580 /nfs/dbraw/zinc/84/25/80/492842580.db2.gz VKECKZDNJFZVFS-UHFFFAOYSA-N 2 2 374.551 0.287 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631724744 492842586 /nfs/dbraw/zinc/84/25/86/492842586.db2.gz VKECKZDNJFZVFS-UHFFFAOYSA-N 2 2 374.551 0.287 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)O1 ZINC000631798700 492855738 /nfs/dbraw/zinc/85/57/38/492855738.db2.gz XSDIXLMHTZKJHU-OWCLPIDISA-N 2 2 359.536 0.984 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)O1 ZINC000631798700 492855741 /nfs/dbraw/zinc/85/57/41/492855741.db2.gz XSDIXLMHTZKJHU-OWCLPIDISA-N 2 2 359.536 0.984 20 0 FCADLP Cc1cn2ccc(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cc2[nH+]1 ZINC000637814644 492869676 /nfs/dbraw/zinc/86/96/76/492869676.db2.gz LGZJHEBKIXULTJ-MRXNPFEDSA-N 2 2 355.442 0.927 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC([C@H](C)[NH3+])CC2)[C@H]1c1[nH+]ccn1C ZINC000637828390 492869996 /nfs/dbraw/zinc/86/99/96/492869996.db2.gz DRYLAQPBTKJMJL-RCBQFDQVSA-N 2 2 363.462 0.294 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)[NH+](C)C ZINC000658421084 492881201 /nfs/dbraw/zinc/88/12/01/492881201.db2.gz KDIUJOVDBIUEAE-HNNXBMFYSA-N 2 2 362.474 0.914 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233407 492881294 /nfs/dbraw/zinc/88/12/94/492881294.db2.gz DRBNNCWMVQGXEH-ZBFHGGJFSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233407 492881297 /nfs/dbraw/zinc/88/12/97/492881297.db2.gz DRBNNCWMVQGXEH-ZBFHGGJFSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000631915917 492881460 /nfs/dbraw/zinc/88/14/60/492881460.db2.gz QDBVVMBQZWEBKN-INMHGKMJSA-N 2 2 374.551 0.489 20 0 FCADLP CC[C@@H](C)[C@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000637941492 492881920 /nfs/dbraw/zinc/88/19/20/492881920.db2.gz FNVKOFOAXHCENP-CVEARBPZSA-N 2 2 362.540 0.157 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000645257209 492884504 /nfs/dbraw/zinc/88/45/04/492884504.db2.gz BGSAWJIRZIGPDA-KRWDZBQOSA-N 2 2 355.442 0.806 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645269116 492885398 /nfs/dbraw/zinc/88/53/98/492885398.db2.gz INUPRNABYVEOEU-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[NH2+]CC1=O ZINC000638061395 492898417 /nfs/dbraw/zinc/89/84/17/492898417.db2.gz FMCZRDQLAIHXSG-OAHLLOKOSA-N 2 2 359.474 0.899 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000625892446 492899474 /nfs/dbraw/zinc/89/94/74/492899474.db2.gz MQTCLABJWYQHLY-XRGAULLZSA-N 2 2 363.462 0.117 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCC[NH+](C)C ZINC000631986958 492904718 /nfs/dbraw/zinc/90/47/18/492904718.db2.gz QZNUHQFHQTYLOI-MRXNPFEDSA-N 2 2 369.535 0.463 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000632001758 492907509 /nfs/dbraw/zinc/90/75/09/492907509.db2.gz BCOIZFDMWLLHJH-QGZVFWFLSA-N 2 2 367.515 0.419 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000632001758 492907513 /nfs/dbraw/zinc/90/75/13/492907513.db2.gz BCOIZFDMWLLHJH-QGZVFWFLSA-N 2 2 367.515 0.419 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625993169 492911840 /nfs/dbraw/zinc/91/18/40/492911840.db2.gz KYGUVXSUJTWZPZ-LJQANCHMSA-N 2 2 350.507 0.825 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000638133723 492913974 /nfs/dbraw/zinc/91/39/74/492913974.db2.gz XJVPNKRJOVUQKZ-UHFFFAOYSA-N 2 2 362.474 0.253 20 0 FCADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652353477 492914787 /nfs/dbraw/zinc/91/47/87/492914787.db2.gz LMMZMTXYGXECPS-WFASDCNBSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652353477 492914789 /nfs/dbraw/zinc/91/47/89/492914789.db2.gz LMMZMTXYGXECPS-WFASDCNBSA-N 2 2 354.476 0.722 20 0 FCADLP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658535339 492934325 /nfs/dbraw/zinc/93/43/25/492934325.db2.gz HZNCMJRALFINRU-SFHVURJKSA-N 2 2 374.485 0.662 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000652452296 492935561 /nfs/dbraw/zinc/93/55/61/492935561.db2.gz ILRMNPGBPQTBEV-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000638406116 492943527 /nfs/dbraw/zinc/94/35/27/492943527.db2.gz FOAXHDSUBCONQR-XSYGEPLQSA-N 2 2 359.470 0.865 20 0 FCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000638406116 492943531 /nfs/dbraw/zinc/94/35/31/492943531.db2.gz FOAXHDSUBCONQR-XSYGEPLQSA-N 2 2 359.470 0.865 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N1CC[NH2+]CC1=O ZINC000638411271 492944718 /nfs/dbraw/zinc/94/47/18/492944718.db2.gz MJQJYRUXBCVQFV-NORZTCDRSA-N 2 2 366.412 0.347 20 0 FCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000638446943 492948759 /nfs/dbraw/zinc/94/87/59/492948759.db2.gz XDIOWBJXMRXLGS-RYQLBKOJSA-N 2 2 365.474 0.071 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529646 492963362 /nfs/dbraw/zinc/96/33/62/492963362.db2.gz SCKYQVKVOARLJN-QRVBRYPASA-N 2 2 370.497 0.534 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529646 492963364 /nfs/dbraw/zinc/96/33/64/492963364.db2.gz SCKYQVKVOARLJN-QRVBRYPASA-N 2 2 370.497 0.534 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C[C@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529646 492963366 /nfs/dbraw/zinc/96/33/66/492963366.db2.gz SCKYQVKVOARLJN-QRVBRYPASA-N 2 2 370.497 0.534 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](C)C[C@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529646 492963368 /nfs/dbraw/zinc/96/33/68/492963368.db2.gz SCKYQVKVOARLJN-QRVBRYPASA-N 2 2 370.497 0.534 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000652529165 492963652 /nfs/dbraw/zinc/96/36/52/492963652.db2.gz GEERACKKECZKIW-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000652529165 492963656 /nfs/dbraw/zinc/96/36/56/492963656.db2.gz GEERACKKECZKIW-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652529165 492963659 /nfs/dbraw/zinc/96/36/59/492963659.db2.gz GEERACKKECZKIW-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652529165 492963666 /nfs/dbraw/zinc/96/36/66/492963666.db2.gz GEERACKKECZKIW-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000645728707 492966484 /nfs/dbraw/zinc/96/64/84/492966484.db2.gz DZJZFVIUKSJMRZ-UHFFFAOYSA-N 2 2 352.354 0.926 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652627093 492972572 /nfs/dbraw/zinc/97/25/72/492972572.db2.gz RDSHNBQEKJZNCW-HEHGZKQESA-N 2 2 362.430 0.774 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638753349 492976307 /nfs/dbraw/zinc/97/63/07/492976307.db2.gz VZDYLFWADSHUTF-FSDCSDTHSA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638753349 492976311 /nfs/dbraw/zinc/97/63/11/492976311.db2.gz VZDYLFWADSHUTF-FSDCSDTHSA-N 2 2 364.494 0.563 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C ZINC000658618263 492981809 /nfs/dbraw/zinc/98/18/09/492981809.db2.gz PLVWVCIORBQLTN-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C ZINC000658618263 492981810 /nfs/dbraw/zinc/98/18/10/492981810.db2.gz PLVWVCIORBQLTN-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C ZINC000658618266 492982090 /nfs/dbraw/zinc/98/20/90/492982090.db2.gz PLVWVCIORBQLTN-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C ZINC000658618266 492982092 /nfs/dbraw/zinc/98/20/92/492982092.db2.gz PLVWVCIORBQLTN-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CO[C@@H](C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000638870979 492983842 /nfs/dbraw/zinc/98/38/42/492983842.db2.gz ICDWHQUJFHSAEL-RBUKOAKNSA-N 2 2 361.486 0.767 20 0 FCADLP Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(C)(C)CO ZINC000632392755 492989740 /nfs/dbraw/zinc/98/97/40/492989740.db2.gz AIGYTBNLRKJKDK-AWEZNQCLSA-N 2 2 358.508 0.885 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652697529 492992556 /nfs/dbraw/zinc/99/25/56/492992556.db2.gz HEWFDVMTZTYRMD-QZTJIDSGSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652697529 492992558 /nfs/dbraw/zinc/99/25/58/492992558.db2.gz HEWFDVMTZTYRMD-QZTJIDSGSA-N 2 2 358.486 0.630 20 0 FCADLP OC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639271299 493003978 /nfs/dbraw/zinc/00/39/78/493003978.db2.gz UIJGSWUIMCUVRK-PKOBYXMFSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639271299 493003981 /nfs/dbraw/zinc/00/39/81/493003981.db2.gz UIJGSWUIMCUVRK-PKOBYXMFSA-N 2 2 350.459 0.573 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000652726403 493006200 /nfs/dbraw/zinc/00/62/00/493006200.db2.gz WIGAPWIZVSXWCN-UHFFFAOYSA-N 2 2 364.515 0.980 20 0 FCADLP CS(=O)(=O)N1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639440919 493009640 /nfs/dbraw/zinc/00/96/40/493009640.db2.gz RQTNYKWNTDVYJR-GOSISDBHSA-N 2 2 367.515 0.591 20 0 FCADLP CS(=O)(=O)N1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639440919 493009643 /nfs/dbraw/zinc/00/96/43/493009643.db2.gz RQTNYKWNTDVYJR-GOSISDBHSA-N 2 2 367.515 0.591 20 0 FCADLP CS(=O)(=O)N1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639440919 493009650 /nfs/dbraw/zinc/00/96/50/493009650.db2.gz RQTNYKWNTDVYJR-GOSISDBHSA-N 2 2 367.515 0.591 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)CCC[NH+]3CCCC3)CC2)C1=O ZINC000632492260 493011211 /nfs/dbraw/zinc/01/12/11/493011211.db2.gz ZSHCAUUUQLRTAH-INIZCTEOSA-N 2 2 372.535 0.087 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639503323 493014896 /nfs/dbraw/zinc/01/48/96/493014896.db2.gz GDMXWSYFNIEDPB-HNNXBMFYSA-N 2 2 374.551 0.190 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000639503323 493014902 /nfs/dbraw/zinc/01/49/02/493014902.db2.gz GDMXWSYFNIEDPB-HNNXBMFYSA-N 2 2 374.551 0.190 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703082 493035358 /nfs/dbraw/zinc/03/53/58/493035358.db2.gz XSVGEKCILHRULG-GDBMZVCRSA-N 2 2 350.463 0.597 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703082 493035362 /nfs/dbraw/zinc/03/53/62/493035362.db2.gz XSVGEKCILHRULG-GDBMZVCRSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703082 493035363 /nfs/dbraw/zinc/03/53/63/493035363.db2.gz XSVGEKCILHRULG-GDBMZVCRSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703082 493035367 /nfs/dbraw/zinc/03/53/67/493035367.db2.gz XSVGEKCILHRULG-GDBMZVCRSA-N 2 2 350.463 0.597 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000626880321 493046985 /nfs/dbraw/zinc/04/69/85/493046985.db2.gz WQNVHBSJYUTXLS-CQSZACIVSA-N 2 2 356.382 0.917 20 0 FCADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000626882044 493047804 /nfs/dbraw/zinc/04/78/04/493047804.db2.gz DJNMJOOODBUVLV-CYBMUJFWSA-N 2 2 354.838 0.445 20 0 FCADLP O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639781764 493049719 /nfs/dbraw/zinc/04/97/19/493049719.db2.gz HFEAUFUNIGXUDD-HOTGVXAUSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851261 493056192 /nfs/dbraw/zinc/05/61/92/493056192.db2.gz JYRZWPOBICTQEL-MJGOQNOKSA-N 2 2 363.458 0.275 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851261 493056194 /nfs/dbraw/zinc/05/61/94/493056194.db2.gz JYRZWPOBICTQEL-MJGOQNOKSA-N 2 2 363.458 0.275 20 0 FCADLP C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](CO)C1 ZINC000639868943 493061355 /nfs/dbraw/zinc/06/13/55/493061355.db2.gz PWJIAGTWQBOJET-OAHLLOKOSA-N 2 2 352.504 0.001 20 0 FCADLP C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](CO)C1 ZINC000639868943 493061359 /nfs/dbraw/zinc/06/13/59/493061359.db2.gz PWJIAGTWQBOJET-OAHLLOKOSA-N 2 2 352.504 0.001 20 0 FCADLP CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653059182 493065693 /nfs/dbraw/zinc/06/56/93/493065693.db2.gz YBUKNMQKDXSOGD-AWEZNQCLSA-N 2 2 364.446 0.524 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000653077571 493067117 /nfs/dbraw/zinc/06/71/17/493067117.db2.gz CXUPODBRDOUIPU-OAHLLOKOSA-N 2 2 363.458 0.859 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000653079902 493067936 /nfs/dbraw/zinc/06/79/36/493067936.db2.gz RZQMODXSPMRAEN-QGZVFWFLSA-N 2 2 364.465 0.708 20 0 FCADLP Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653083281 493068927 /nfs/dbraw/zinc/06/89/27/493068927.db2.gz UAKTYOURBMHFRP-QGZVFWFLSA-N 2 2 362.474 0.324 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000653093512 493069477 /nfs/dbraw/zinc/06/94/77/493069477.db2.gz FRXXJVQCPSVJIF-HNNXBMFYSA-N 2 2 352.866 0.790 20 0 FCADLP CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653094420 493069627 /nfs/dbraw/zinc/06/96/27/493069627.db2.gz FADLQWFXUUHGRY-ZDUSSCGKSA-N 2 2 372.491 0.553 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123297 493075225 /nfs/dbraw/zinc/07/52/25/493075225.db2.gz UMJJMBMCVLDEBB-MAUKXSAKSA-N 3 2 364.490 0.673 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123297 493075228 /nfs/dbraw/zinc/07/52/28/493075228.db2.gz UMJJMBMCVLDEBB-MAUKXSAKSA-N 3 2 364.490 0.673 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653125093 493076555 /nfs/dbraw/zinc/07/65/55/493076555.db2.gz SLZJPCVCFGIJHX-IBGZPJMESA-N 3 2 361.534 0.719 20 0 FCADLP [NH3+]C1CCC(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000646664681 493080815 /nfs/dbraw/zinc/08/08/15/493080815.db2.gz LBYKBDNMCFXHKX-UHFFFAOYSA-N 2 2 359.474 0.897 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@H+](CC)C[C@H]2C)[C@@H]1c1[nH+]ccn1C ZINC000627149561 493096463 /nfs/dbraw/zinc/09/64/63/493096463.db2.gz IXOQUWVDLMRLAC-FVQBIDKESA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@@H]1c1[nH+]ccn1C ZINC000627149561 493096466 /nfs/dbraw/zinc/09/64/66/493096466.db2.gz IXOQUWVDLMRLAC-FVQBIDKESA-N 2 2 363.462 0.261 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000633035929 493107536 /nfs/dbraw/zinc/10/75/36/493107536.db2.gz HAXRQWYADKRXEA-SQWLQELKSA-N 2 2 360.458 0.966 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000633038443 493108837 /nfs/dbraw/zinc/10/88/37/493108837.db2.gz ONBZQOWVLQQKLB-HOCLYGCPSA-N 2 2 359.474 0.321 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224924 493109539 /nfs/dbraw/zinc/10/95/39/493109539.db2.gz QLTGHITXVLXQHQ-IAGOWNOFSA-N 2 2 363.462 0.042 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224924 493109543 /nfs/dbraw/zinc/10/95/43/493109543.db2.gz QLTGHITXVLXQHQ-IAGOWNOFSA-N 2 2 363.462 0.042 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000627226495 493110764 /nfs/dbraw/zinc/11/07/64/493110764.db2.gz UQMDHUXSWXMEOM-OAHLLOKOSA-N 2 2 356.434 0.239 20 0 FCADLP CC1(C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000640521074 493111787 /nfs/dbraw/zinc/11/17/87/493111787.db2.gz SRRBIZQPTKENAU-HUUCEWRRSA-N 2 2 356.430 0.891 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653385676 493112255 /nfs/dbraw/zinc/11/22/55/493112255.db2.gz CMKVKPGFIBPJPD-SFHVURJKSA-N 2 2 369.469 0.693 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653385676 493112260 /nfs/dbraw/zinc/11/22/60/493112260.db2.gz CMKVKPGFIBPJPD-SFHVURJKSA-N 2 2 369.469 0.693 20 0 FCADLP C[NH+](C)Cc1ccnc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000640564860 493117052 /nfs/dbraw/zinc/11/70/52/493117052.db2.gz WGOZFKSUKPPLHB-UHFFFAOYSA-N 2 2 351.451 0.302 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640561305 493117217 /nfs/dbraw/zinc/11/72/17/493117217.db2.gz CWVDJPXYIVFHFW-CQSZACIVSA-N 2 2 374.489 0.960 20 0 FCADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000633096328 493123520 /nfs/dbraw/zinc/12/35/20/493123520.db2.gz DUGPCZIVJWOKQO-CALCHBBNSA-N 2 2 359.474 0.865 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109209 493130540 /nfs/dbraw/zinc/13/05/40/493130540.db2.gz NEIXHMMBUIRUDF-MAUKXSAKSA-N 2 2 358.490 0.829 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109209 493130546 /nfs/dbraw/zinc/13/05/46/493130546.db2.gz NEIXHMMBUIRUDF-MAUKXSAKSA-N 2 2 358.490 0.829 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000640830635 493133277 /nfs/dbraw/zinc/13/32/77/493133277.db2.gz MKIHVKZCLOFNIX-CQSZACIVSA-N 2 2 352.508 0.552 20 0 FCADLP CC(C)(C)[C@H]([NH3+])c1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1 ZINC000640867933 493139596 /nfs/dbraw/zinc/13/95/96/493139596.db2.gz YBKRUDREXLVMPH-OAHLLOKOSA-N 2 2 352.483 0.551 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000627310165 493144714 /nfs/dbraw/zinc/14/47/14/493144714.db2.gz KEUVWESCHNLQCC-ZIAGYGMSSA-N 2 2 361.833 0.757 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H](C)CO1 ZINC000659094316 493148771 /nfs/dbraw/zinc/14/87/71/493148771.db2.gz JGZQDBRKEWJAQW-ZIAGYGMSSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H](C)CO1 ZINC000659094316 493148773 /nfs/dbraw/zinc/14/87/73/493148773.db2.gz JGZQDBRKEWJAQW-ZIAGYGMSSA-N 2 2 360.458 0.496 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000659095046 493150196 /nfs/dbraw/zinc/15/01/96/493150196.db2.gz WQWMMBDKRMUMIM-CABCVRRESA-N 2 2 362.474 0.960 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000659095046 493150199 /nfs/dbraw/zinc/15/01/99/493150199.db2.gz WQWMMBDKRMUMIM-CABCVRRESA-N 2 2 362.474 0.960 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000627338488 493160430 /nfs/dbraw/zinc/16/04/30/493160430.db2.gz IAPYHTXYBIBGAV-MRXNPFEDSA-N 2 2 359.474 0.754 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000653572007 493160915 /nfs/dbraw/zinc/16/09/15/493160915.db2.gz JHFCEXHRCUDHNS-MRXNPFEDSA-N 2 2 365.474 0.982 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000653572007 493160919 /nfs/dbraw/zinc/16/09/19/493160919.db2.gz JHFCEXHRCUDHNS-MRXNPFEDSA-N 2 2 365.474 0.982 20 0 FCADLP C[NH2+]Cc1cn(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)nn1 ZINC000641028147 493163006 /nfs/dbraw/zinc/16/30/06/493163006.db2.gz BDFCCSSOSTXQOP-UHFFFAOYSA-N 2 2 358.446 0.351 20 0 FCADLP [NH3+]CCc1cn(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn1 ZINC000641065140 493165707 /nfs/dbraw/zinc/16/57/07/493165707.db2.gz ZZFPEIUHFNGKIB-UHFFFAOYSA-N 2 2 370.457 0.059 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CO1 ZINC000647184128 493174728 /nfs/dbraw/zinc/17/47/28/493174728.db2.gz IIXOWJORFJMUKR-HOCLYGCPSA-N 2 2 353.488 0.890 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(CCCC[NH3+])nn1 ZINC000641171418 493175247 /nfs/dbraw/zinc/17/52/47/493175247.db2.gz SFHFUVQZVWMWPE-HNNXBMFYSA-N 2 2 357.462 0.864 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659446679 493180696 /nfs/dbraw/zinc/18/06/96/493180696.db2.gz GPSBXBYYQPXFQS-UHFFFAOYSA-N 2 2 362.478 0.499 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659450672 493181262 /nfs/dbraw/zinc/18/12/62/493181262.db2.gz DQXPSZRKASYKHR-UHFFFAOYSA-N 2 2 374.489 0.854 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681571290 493188266 /nfs/dbraw/zinc/18/82/66/493188266.db2.gz OJXBAVVWIBEDQK-WNRNVDISSA-N 2 2 368.522 0.989 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681571290 493188268 /nfs/dbraw/zinc/18/82/68/493188268.db2.gz OJXBAVVWIBEDQK-WNRNVDISSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000653897818 493194161 /nfs/dbraw/zinc/19/41/61/493194161.db2.gz UGAASIZYUBWMGW-MRXNPFEDSA-N 2 2 353.507 0.983 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000653897818 493194163 /nfs/dbraw/zinc/19/41/63/493194163.db2.gz UGAASIZYUBWMGW-MRXNPFEDSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccc(O)c3)C2)CC1 ZINC000681729842 493211286 /nfs/dbraw/zinc/21/12/86/493211286.db2.gz DEJFPHINNQCNGB-OAHLLOKOSA-N 2 2 360.458 0.407 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccc(O)c3)C2)CC1 ZINC000681729842 493211290 /nfs/dbraw/zinc/21/12/90/493211290.db2.gz DEJFPHINNQCNGB-OAHLLOKOSA-N 2 2 360.458 0.407 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CCC(=O)N1C ZINC000659551796 493211722 /nfs/dbraw/zinc/21/17/22/493211722.db2.gz VYLDBZGDROJXDH-UMNHJUIQSA-N 2 2 358.393 0.364 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000672637559 493219770 /nfs/dbraw/zinc/21/97/70/493219770.db2.gz JSTHAOSOALNGCF-KBXCAEBGSA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000672637559 493219776 /nfs/dbraw/zinc/21/97/76/493219776.db2.gz JSTHAOSOALNGCF-KBXCAEBGSA-N 2 2 368.547 0.673 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639540 493221376 /nfs/dbraw/zinc/22/13/76/493221376.db2.gz LQOKINGYYSFTFK-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639540 493221379 /nfs/dbraw/zinc/22/13/79/493221379.db2.gz LQOKINGYYSFTFK-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CCN(Cc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640043 493223251 /nfs/dbraw/zinc/22/32/51/493223251.db2.gz GUBRVWJMODNNOY-KRWDZBQOSA-N 2 2 373.501 0.715 20 0 FCADLP CCN(Cc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640043 493223253 /nfs/dbraw/zinc/22/32/53/493223253.db2.gz GUBRVWJMODNNOY-KRWDZBQOSA-N 2 2 373.501 0.715 20 0 FCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640160 493223644 /nfs/dbraw/zinc/22/36/44/493223644.db2.gz RZRZKPASTPIIIO-NUEKZKHPSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640160 493223646 /nfs/dbraw/zinc/22/36/46/493223646.db2.gz RZRZKPASTPIIIO-NUEKZKHPSA-N 2 2 366.506 0.201 20 0 FCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640594 493224437 /nfs/dbraw/zinc/22/44/37/493224437.db2.gz YHACNNIKTNNFQE-HRCADAONSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640594 493224440 /nfs/dbraw/zinc/22/44/40/493224440.db2.gz YHACNNIKTNNFQE-HRCADAONSA-N 2 2 366.506 0.297 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000659632783 493225001 /nfs/dbraw/zinc/22/50/01/493225001.db2.gz GMEJBGKKKJQXNL-UHFFFAOYSA-N 2 2 362.459 0.730 20 0 FCADLP CCN(Cc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640044 493225101 /nfs/dbraw/zinc/22/51/01/493225101.db2.gz GUBRVWJMODNNOY-QGZVFWFLSA-N 2 2 373.501 0.715 20 0 FCADLP CCN(Cc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640044 493225103 /nfs/dbraw/zinc/22/51/03/493225103.db2.gz GUBRVWJMODNNOY-QGZVFWFLSA-N 2 2 373.501 0.715 20 0 FCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641977 493227105 /nfs/dbraw/zinc/22/71/05/493227105.db2.gz VEYXTKXHVDRJBX-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641977 493227108 /nfs/dbraw/zinc/22/71/08/493227108.db2.gz VEYXTKXHVDRJBX-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)CC1 ZINC000659642609 493227326 /nfs/dbraw/zinc/22/73/26/493227326.db2.gz XLJVGYYLBCOIBH-JGGQBBKZSA-N 2 2 362.478 0.851 20 0 FCADLP CN(C[C@@H]1CCCOC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642760 493227768 /nfs/dbraw/zinc/22/77/68/493227768.db2.gz HIOYUDFTRWIRMG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C[C@@H]1CCCOC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642760 493227770 /nfs/dbraw/zinc/22/77/70/493227770.db2.gz HIOYUDFTRWIRMG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1nc(N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc[nH+]1 ZINC000666976410 493244193 /nfs/dbraw/zinc/24/41/93/493244193.db2.gz IIMCQXYHZXLXSD-QGZVFWFLSA-N 2 2 374.489 0.870 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659674879 493245551 /nfs/dbraw/zinc/24/55/51/493245551.db2.gz WRMJXSUIJITPHK-MRXNPFEDSA-N 2 2 362.474 0.199 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659674879 493245555 /nfs/dbraw/zinc/24/55/55/493245555.db2.gz WRMJXSUIJITPHK-MRXNPFEDSA-N 2 2 362.474 0.199 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659699594 493260203 /nfs/dbraw/zinc/26/02/03/493260203.db2.gz YUBQXFVZOIGSJA-NVXWUHKLSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000667156358 493261990 /nfs/dbraw/zinc/26/19/90/493261990.db2.gz IMOYAPJXNGIYHA-DZGCQCFKSA-N 2 2 366.466 0.450 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCS1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672920382 493266033 /nfs/dbraw/zinc/26/60/33/493266033.db2.gz UVUCNKXQDOXQGP-HZPDHXFCSA-N 2 2 368.547 0.625 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCS1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672920382 493266036 /nfs/dbraw/zinc/26/60/36/493266036.db2.gz UVUCNKXQDOXQGP-HZPDHXFCSA-N 2 2 368.547 0.625 20 0 FCADLP CC1(C)CN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000672951384 493269429 /nfs/dbraw/zinc/26/94/29/493269429.db2.gz FGJSXLFYENLJNB-DLBZAZTESA-N 2 2 368.522 0.728 20 0 FCADLP CC1(C)CN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000672951384 493269431 /nfs/dbraw/zinc/26/94/31/493269431.db2.gz FGJSXLFYENLJNB-DLBZAZTESA-N 2 2 368.522 0.728 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000659715873 493269567 /nfs/dbraw/zinc/26/95/67/493269567.db2.gz RPNFXIUGSUWAHI-HUUCEWRRSA-N 2 2 359.474 0.802 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659716713 493269741 /nfs/dbraw/zinc/26/97/41/493269741.db2.gz BYJLNYXQBLBCNR-GDBMZVCRSA-N 2 2 359.474 0.932 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cc4n(n3)CCCC4)C2)CC1 ZINC000672969779 493273239 /nfs/dbraw/zinc/27/32/39/493273239.db2.gz MUVAYMUFIOYPQF-CQSZACIVSA-N 2 2 374.489 0.443 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cc4n(n3)CCCC4)C2)CC1 ZINC000672969779 493273243 /nfs/dbraw/zinc/27/32/43/493273243.db2.gz MUVAYMUFIOYPQF-CQSZACIVSA-N 2 2 374.489 0.443 20 0 FCADLP Cc1noc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682228531 493280657 /nfs/dbraw/zinc/28/06/57/493280657.db2.gz CGYYAFBUMCOTPF-HNNXBMFYSA-N 2 2 363.462 0.857 20 0 FCADLP Cc1noc(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682228531 493280659 /nfs/dbraw/zinc/28/06/59/493280659.db2.gz CGYYAFBUMCOTPF-HNNXBMFYSA-N 2 2 363.462 0.857 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)[C@H](C[NH3+])C1 ZINC000667596196 493291939 /nfs/dbraw/zinc/29/19/39/493291939.db2.gz ZGKLSVMIMWTPJJ-GFCCVEGCSA-N 2 2 369.416 0.908 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)[C@H](C[NH3+])C1 ZINC000667596196 493291941 /nfs/dbraw/zinc/29/19/41/493291941.db2.gz ZGKLSVMIMWTPJJ-GFCCVEGCSA-N 2 2 369.416 0.908 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144084 493294942 /nfs/dbraw/zinc/29/49/42/493294942.db2.gz PLVFWGOYNNCSGL-SJORKVTESA-N 2 2 368.522 0.401 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144084 493294944 /nfs/dbraw/zinc/29/49/44/493294944.db2.gz PLVFWGOYNNCSGL-SJORKVTESA-N 2 2 368.522 0.401 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284647 493312563 /nfs/dbraw/zinc/31/25/63/493312563.db2.gz LTTSSFSQCPYAHZ-GOSISDBHSA-N 2 2 374.485 0.470 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284647 493312566 /nfs/dbraw/zinc/31/25/66/493312566.db2.gz LTTSSFSQCPYAHZ-GOSISDBHSA-N 2 2 374.485 0.470 20 0 FCADLP C[NH+]1CCN(c2ncc(CNc3ccc(-n4cncn4)c[nH+]3)cn2)CC1 ZINC000682855786 493323561 /nfs/dbraw/zinc/32/35/61/493323561.db2.gz XLSDBFJUNYCXPV-UHFFFAOYSA-N 2 2 351.418 0.816 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000660163243 493331562 /nfs/dbraw/zinc/33/15/62/493331562.db2.gz BMNBJDOVNBKJNB-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000660163243 493331563 /nfs/dbraw/zinc/33/15/63/493331563.db2.gz BMNBJDOVNBKJNB-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOC1 ZINC000683042801 493331560 /nfs/dbraw/zinc/33/15/60/493331560.db2.gz IJKVWDYATUXQIO-GOSISDBHSA-N 2 2 373.461 0.171 20 0 FCADLP COCC1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000660633445 493368761 /nfs/dbraw/zinc/36/87/61/493368761.db2.gz CCTCCRSCLLRKLZ-UHFFFAOYSA-N 2 2 362.474 0.906 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842227 493374074 /nfs/dbraw/zinc/37/40/74/493374074.db2.gz SAKPHGZWXLHBMP-VYDXJSESSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842227 493374076 /nfs/dbraw/zinc/37/40/76/493374076.db2.gz SAKPHGZWXLHBMP-VYDXJSESSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000683842227 493374078 /nfs/dbraw/zinc/37/40/78/493374078.db2.gz SAKPHGZWXLHBMP-VYDXJSESSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000683842227 493374080 /nfs/dbraw/zinc/37/40/80/493374080.db2.gz SAKPHGZWXLHBMP-VYDXJSESSA-N 2 2 354.495 0.600 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nc(C(N)=O)cs3)C2)CC1 ZINC000660711176 493374718 /nfs/dbraw/zinc/37/47/18/493374718.db2.gz CAPVUYZAMATDGO-NSHDSACASA-N 2 2 366.491 0.210 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3nc(C(N)=O)cs3)C2)CC1 ZINC000660711176 493374719 /nfs/dbraw/zinc/37/47/19/493374719.db2.gz CAPVUYZAMATDGO-NSHDSACASA-N 2 2 366.491 0.210 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCC(=O)N3)CC2)CC1 ZINC000683982394 493384042 /nfs/dbraw/zinc/38/40/42/493384042.db2.gz ZWHZVBAEACAMPL-OAHLLOKOSA-N 2 2 351.495 0.513 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC(=O)N2)([NH+]2CCCCC2)CC1 ZINC000683985996 493384491 /nfs/dbraw/zinc/38/44/91/493384491.db2.gz XOVSDLHFIBHPKY-INIZCTEOSA-N 2 2 365.522 0.905 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000668670652 493393729 /nfs/dbraw/zinc/39/37/29/493393729.db2.gz KBHZRBSZEJPTJY-AEFFLSMTSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000668670652 493393732 /nfs/dbraw/zinc/39/37/32/493393732.db2.gz KBHZRBSZEJPTJY-AEFFLSMTSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668670652 493393735 /nfs/dbraw/zinc/39/37/35/493393735.db2.gz KBHZRBSZEJPTJY-AEFFLSMTSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668670652 493393738 /nfs/dbraw/zinc/39/37/38/493393738.db2.gz KBHZRBSZEJPTJY-AEFFLSMTSA-N 2 2 356.470 0.730 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000668688507 493397710 /nfs/dbraw/zinc/39/77/10/493397710.db2.gz OTDJHFAFDOLOJH-NRFANRHFSA-N 2 2 372.513 0.929 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC000668688507 493397711 /nfs/dbraw/zinc/39/77/11/493397711.db2.gz OTDJHFAFDOLOJH-NRFANRHFSA-N 2 2 372.513 0.929 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668692804 493398401 /nfs/dbraw/zinc/39/84/01/493398401.db2.gz ILYRLCYTSULGPY-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668692804 493398406 /nfs/dbraw/zinc/39/84/06/493398406.db2.gz ILYRLCYTSULGPY-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H](O)C1CC1 ZINC000674315057 493406965 /nfs/dbraw/zinc/40/69/65/493406965.db2.gz VUHJEPYWIXMDPE-QGZVFWFLSA-N 2 2 353.507 0.840 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H](O)C1CC1 ZINC000674315057 493406968 /nfs/dbraw/zinc/40/69/68/493406968.db2.gz VUHJEPYWIXMDPE-QGZVFWFLSA-N 2 2 353.507 0.840 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661089388 493408326 /nfs/dbraw/zinc/40/83/26/493408326.db2.gz MVVSQSURFHEOTB-QGZVFWFLSA-N 2 2 368.522 0.500 20 0 FCADLP O=C(C[N@@H+](CCOCCO)C1CCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661099959 493408701 /nfs/dbraw/zinc/40/87/01/493408701.db2.gz VMWMWVYSGROKEV-UHFFFAOYSA-N 2 2 365.474 0.787 20 0 FCADLP O=C(C[N@H+](CCOCCO)C1CCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661099959 493408704 /nfs/dbraw/zinc/40/87/04/493408704.db2.gz VMWMWVYSGROKEV-UHFFFAOYSA-N 2 2 365.474 0.787 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793895 493412208 /nfs/dbraw/zinc/41/22/08/493412208.db2.gz TUGCHTTUASTZOL-UHFFFAOYSA-N 2 2 359.478 0.621 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668825589 493416282 /nfs/dbraw/zinc/41/62/82/493416282.db2.gz PBDZHDUCYSAZJA-QGZVFWFLSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000668825589 493416283 /nfs/dbraw/zinc/41/62/83/493416283.db2.gz PBDZHDUCYSAZJA-QGZVFWFLSA-N 2 2 371.485 0.899 20 0 FCADLP COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000674500283 493423210 /nfs/dbraw/zinc/42/32/10/493423210.db2.gz UCSFSQSKFLJVJE-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP COC[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000674500283 493423212 /nfs/dbraw/zinc/42/32/12/493423212.db2.gz UCSFSQSKFLJVJE-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP CN(C)[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1c[nH+]cn1C ZINC000684829115 493432610 /nfs/dbraw/zinc/43/26/10/493432610.db2.gz JCNWJGJCYWBENM-KRWDZBQOSA-N 2 2 357.462 0.808 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000685081440 493447889 /nfs/dbraw/zinc/44/78/89/493447889.db2.gz IMWZFMRBJCJUHI-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000685081440 493447892 /nfs/dbraw/zinc/44/78/92/493447892.db2.gz IMWZFMRBJCJUHI-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000685081440 493447895 /nfs/dbraw/zinc/44/78/95/493447895.db2.gz IMWZFMRBJCJUHI-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000685081440 493447897 /nfs/dbraw/zinc/44/78/97/493447897.db2.gz IMWZFMRBJCJUHI-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661770724 493464626 /nfs/dbraw/zinc/46/46/26/493464626.db2.gz HZRPFDNTZZDMKD-DLBZAZTESA-N 2 2 353.507 0.983 20 0 FCADLP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661770724 493464628 /nfs/dbraw/zinc/46/46/28/493464628.db2.gz HZRPFDNTZZDMKD-DLBZAZTESA-N 2 2 353.507 0.983 20 0 FCADLP CN(C(=O)[C@@H]1CC12CCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000675327645 493477240 /nfs/dbraw/zinc/47/72/40/493477240.db2.gz RRHIXVMRSIKZEP-KRWDZBQOSA-N 2 2 362.518 0.873 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661983038 493480234 /nfs/dbraw/zinc/48/02/34/493480234.db2.gz CXCLFNPDZXSZCK-SJORKVTESA-N 2 2 352.479 0.356 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661986770 493480992 /nfs/dbraw/zinc/48/09/92/493480992.db2.gz JFFBAAIZMKGTGY-NJAFHUGGSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4c3cnn4CCO)cn2)CC1 ZINC000675551566 493488595 /nfs/dbraw/zinc/48/85/95/493488595.db2.gz KRGYVVPESGPDRE-QGZVFWFLSA-N 2 2 371.489 0.584 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669405433 493502350 /nfs/dbraw/zinc/50/23/50/493502350.db2.gz HLJOFJBMBCQOLU-KYHPRHEASA-N 2 2 368.547 0.882 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000662286045 493502649 /nfs/dbraw/zinc/50/26/49/493502649.db2.gz RIXPBARLDVVUPE-UHFFFAOYSA-N 2 2 372.469 0.989 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)CO ZINC000662288247 493503244 /nfs/dbraw/zinc/50/32/44/493503244.db2.gz HFPFPZHRJJBIKT-NSHDSACASA-N 2 2 350.246 0.936 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)CO ZINC000662288247 493503246 /nfs/dbraw/zinc/50/32/46/493503246.db2.gz HFPFPZHRJJBIKT-NSHDSACASA-N 2 2 350.246 0.936 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)CO ZINC000662289106 493503771 /nfs/dbraw/zinc/50/37/71/493503771.db2.gz ODEQXEUEIYEVAY-SNVBAGLBSA-N 2 2 350.246 0.936 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)CO ZINC000662289106 493503774 /nfs/dbraw/zinc/50/37/74/493503774.db2.gz ODEQXEUEIYEVAY-SNVBAGLBSA-N 2 2 350.246 0.936 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000669533796 493509559 /nfs/dbraw/zinc/50/95/59/493509559.db2.gz BRAJIUMGBVIRSI-HNNXBMFYSA-N 2 2 356.430 0.440 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H](N3CC[NH2+]CC3=O)C1)CCC2 ZINC000669541063 493510230 /nfs/dbraw/zinc/51/02/30/493510230.db2.gz IQCXQHOZNARQQH-HOTGVXAUSA-N 2 2 374.489 0.675 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662378602 493511159 /nfs/dbraw/zinc/51/11/59/493511159.db2.gz BSEOWYVHKMBYNX-AWEZNQCLSA-N 2 2 356.430 0.648 20 0 FCADLP Cn1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000685736195 493511422 /nfs/dbraw/zinc/51/14/22/493511422.db2.gz SIIMISWNGYJYKY-AWEZNQCLSA-N 2 2 374.489 0.521 20 0 FCADLP Cn1nc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000685736195 493511424 /nfs/dbraw/zinc/51/14/24/493511424.db2.gz SIIMISWNGYJYKY-AWEZNQCLSA-N 2 2 374.489 0.521 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2CCc3sccc3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662406462 493513559 /nfs/dbraw/zinc/51/35/59/493513559.db2.gz ZXVWDFHSVHKYKG-CQSZACIVSA-N 2 2 360.487 0.971 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2CCc3sccc3C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662406462 493513561 /nfs/dbraw/zinc/51/35/61/493513561.db2.gz ZXVWDFHSVHKYKG-CQSZACIVSA-N 2 2 360.487 0.971 20 0 FCADLP CCn1cc[nH+]c1CN1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)CC1 ZINC000662455381 493517535 /nfs/dbraw/zinc/51/75/35/493517535.db2.gz KZETVLUNWPPQAA-HNNXBMFYSA-N 2 2 372.477 0.295 20 0 FCADLP C[N@H+](C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911345 493522225 /nfs/dbraw/zinc/52/22/25/493522225.db2.gz HEMWBUFNQGBEMC-ZWKOTPCHSA-N 2 2 372.473 0.702 20 0 FCADLP C[N@@H+](C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911345 493522229 /nfs/dbraw/zinc/52/22/29/493522229.db2.gz HEMWBUFNQGBEMC-ZWKOTPCHSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911345 493522233 /nfs/dbraw/zinc/52/22/33/493522233.db2.gz HEMWBUFNQGBEMC-ZWKOTPCHSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911345 493522236 /nfs/dbraw/zinc/52/22/36/493522236.db2.gz HEMWBUFNQGBEMC-ZWKOTPCHSA-N 2 2 372.473 0.702 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662530787 493524131 /nfs/dbraw/zinc/52/41/31/493524131.db2.gz CKQLNGYFFQYTKR-GUTXKFCHSA-N 2 2 350.467 0.302 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662530787 493524134 /nfs/dbraw/zinc/52/41/34/493524134.db2.gz CKQLNGYFFQYTKR-GUTXKFCHSA-N 2 2 350.467 0.302 20 0 FCADLP [NH3+]Cc1nc(-c2ccc(NC(=O)c3cn[nH]c3[C@H]3CC[NH2+]C3)cc2)n[nH]1 ZINC000662556610 493525828 /nfs/dbraw/zinc/52/58/28/493525828.db2.gz BMVNRWDUWSBUNR-NSHDSACASA-N 2 2 352.402 0.983 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1F ZINC000662666074 493530784 /nfs/dbraw/zinc/53/07/84/493530784.db2.gz NKHPQVINQFFINB-PBHICJAKSA-N 2 2 351.422 0.842 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676245851 493534730 /nfs/dbraw/zinc/53/47/30/493534730.db2.gz ANNJJXHSPQYFCC-VVLHAWIVSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245851 493534731 /nfs/dbraw/zinc/53/47/31/493534731.db2.gz ANNJJXHSPQYFCC-VVLHAWIVSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[C@H](C)[NH+]1CCOCC1 ZINC000662721316 493534808 /nfs/dbraw/zinc/53/48/08/493534808.db2.gz UCZYDQHTSNBYSM-SOUVJXGZSA-N 2 2 350.467 0.432 20 0 FCADLP Cc1ccc(N2CCC(C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)[nH+]c1 ZINC000662753437 493538607 /nfs/dbraw/zinc/53/86/07/493538607.db2.gz RHTQWNLSXGOYDO-UHFFFAOYSA-N 2 2 356.430 0.877 20 0 FCADLP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000662789926 493542520 /nfs/dbraw/zinc/54/25/20/493542520.db2.gz HDRYQYGYVBCNRO-KKUMJFAQSA-N 2 2 360.462 0.136 20 0 FCADLP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000662789926 493542522 /nfs/dbraw/zinc/54/25/22/493542522.db2.gz HDRYQYGYVBCNRO-KKUMJFAQSA-N 2 2 360.462 0.136 20 0 FCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662790294 493542633 /nfs/dbraw/zinc/54/26/33/493542633.db2.gz ACXASPMDNRISIZ-QGZVFWFLSA-N 2 2 374.489 0.350 20 0 FCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662790294 493542634 /nfs/dbraw/zinc/54/26/34/493542634.db2.gz ACXASPMDNRISIZ-QGZVFWFLSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676303493 493543166 /nfs/dbraw/zinc/54/31/66/493543166.db2.gz CUIOIYFWQOSQTJ-SJLPKXTDSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303493 493543169 /nfs/dbraw/zinc/54/31/69/493543169.db2.gz CUIOIYFWQOSQTJ-SJLPKXTDSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676306900 493544404 /nfs/dbraw/zinc/54/44/04/493544404.db2.gz WUYMCRYSFPPHHY-MDMSPXHWSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676306900 493544407 /nfs/dbraw/zinc/54/44/07/493544407.db2.gz WUYMCRYSFPPHHY-MDMSPXHWSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676306900 493544410 /nfs/dbraw/zinc/54/44/10/493544410.db2.gz WUYMCRYSFPPHHY-MDMSPXHWSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306900 493544412 /nfs/dbraw/zinc/54/44/12/493544412.db2.gz WUYMCRYSFPPHHY-MDMSPXHWSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676306898 493544552 /nfs/dbraw/zinc/54/45/52/493544552.db2.gz WUYMCRYSFPPHHY-HSFUPAIVSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306898 493544554 /nfs/dbraw/zinc/54/45/54/493544554.db2.gz WUYMCRYSFPPHHY-HSFUPAIVSA-N 2 2 368.522 0.989 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662831036 493545479 /nfs/dbraw/zinc/54/54/79/493545479.db2.gz ANUUGLIFXODYJH-INIZCTEOSA-N 2 2 357.401 0.772 20 0 FCADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676387282 493548074 /nfs/dbraw/zinc/54/80/74/493548074.db2.gz FCRAHOCLUHOJRV-QUCCMNQESA-N 2 2 359.470 0.557 20 0 FCADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676387282 493548075 /nfs/dbraw/zinc/54/80/75/493548075.db2.gz FCRAHOCLUHOJRV-QUCCMNQESA-N 2 2 359.470 0.557 20 0 FCADLP O=C(N(CC[NH+]1CCOCC1)CC1CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662910509 493552328 /nfs/dbraw/zinc/55/23/28/493552328.db2.gz OPAOEUDMXDNOIY-UHFFFAOYSA-N 2 2 361.490 0.533 20 0 FCADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486187 493573067 /nfs/dbraw/zinc/57/30/67/493573067.db2.gz PFDKOINCZKXBQQ-MRXNPFEDSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486187 493573069 /nfs/dbraw/zinc/57/30/69/493573069.db2.gz PFDKOINCZKXBQQ-MRXNPFEDSA-N 2 2 374.485 0.596 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000670547616 493579820 /nfs/dbraw/zinc/57/98/20/493579820.db2.gz PEESCXNXWLUMLY-HNNXBMFYSA-N 2 2 361.490 0.743 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000670547616 493579823 /nfs/dbraw/zinc/57/98/23/493579823.db2.gz PEESCXNXWLUMLY-HNNXBMFYSA-N 2 2 361.490 0.743 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000677114968 493585169 /nfs/dbraw/zinc/58/51/69/493585169.db2.gz UEHUAJQZYOPQLI-BRWVUGGUSA-N 2 2 359.474 0.901 20 0 FCADLP CC[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C[C@H]1C ZINC000677152980 493587259 /nfs/dbraw/zinc/58/72/59/493587259.db2.gz LGUAGUQAEUBKGP-OAHLLOKOSA-N 2 2 367.519 0.548 20 0 FCADLP CC[N@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C[C@H]1C ZINC000677152980 493587262 /nfs/dbraw/zinc/58/72/62/493587262.db2.gz LGUAGUQAEUBKGP-OAHLLOKOSA-N 2 2 367.519 0.548 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C ZINC000677184305 493588630 /nfs/dbraw/zinc/58/86/30/493588630.db2.gz ZYOMNKOBNYUQTK-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C ZINC000677184305 493588631 /nfs/dbraw/zinc/58/86/31/493588631.db2.gz ZYOMNKOBNYUQTK-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000663440424 493589632 /nfs/dbraw/zinc/58/96/32/493589632.db2.gz JNOVRUCYJUWTLW-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663480182 493591420 /nfs/dbraw/zinc/59/14/20/493591420.db2.gz NYEVYQVVAUYLSV-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663480182 493591422 /nfs/dbraw/zinc/59/14/22/493591422.db2.gz NYEVYQVVAUYLSV-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663480182 493591425 /nfs/dbraw/zinc/59/14/25/493591425.db2.gz NYEVYQVVAUYLSV-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663480182 493591428 /nfs/dbraw/zinc/59/14/28/493591428.db2.gz NYEVYQVVAUYLSV-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP CSc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000677265898 493593894 /nfs/dbraw/zinc/59/38/94/493593894.db2.gz BWBQIHNELBGWIL-ZIAGYGMSSA-N 2 2 362.499 0.957 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000663523927 493594116 /nfs/dbraw/zinc/59/41/16/493594116.db2.gz LSQHLYSPFGZSMD-JYJNAYRXSA-N 2 2 361.421 0.965 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)nc[nH+]2)CC1 ZINC000663540689 493594946 /nfs/dbraw/zinc/59/49/46/493594946.db2.gz QCHFLZHSZZZHML-HOTGVXAUSA-N 2 2 361.490 0.863 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000663543807 493595461 /nfs/dbraw/zinc/59/54/61/493595461.db2.gz RQLAFTBOMZRZHY-IXDOHACOSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000663543807 493595464 /nfs/dbraw/zinc/59/54/64/493595464.db2.gz RQLAFTBOMZRZHY-IXDOHACOSA-N 2 2 368.522 0.990 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000670787192 493597138 /nfs/dbraw/zinc/59/71/38/493597138.db2.gz OSWQYZYUNQXWRU-HNNXBMFYSA-N 2 2 357.458 0.984 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663560311 493598843 /nfs/dbraw/zinc/59/88/43/493598843.db2.gz KZQTYOQEFXREFB-QZTJIDSGSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663560311 493598844 /nfs/dbraw/zinc/59/88/44/493598844.db2.gz KZQTYOQEFXREFB-QZTJIDSGSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813283 493599766 /nfs/dbraw/zinc/59/97/66/493599766.db2.gz GJEZDKIXVRJINX-SJORKVTESA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813283 493599770 /nfs/dbraw/zinc/59/97/70/493599770.db2.gz GJEZDKIXVRJINX-SJORKVTESA-N 2 2 366.506 0.060 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670815873 493600086 /nfs/dbraw/zinc/60/00/86/493600086.db2.gz BRYCMEXRDKUSQF-KRWDZBQOSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670815873 493600088 /nfs/dbraw/zinc/60/00/88/493600088.db2.gz BRYCMEXRDKUSQF-KRWDZBQOSA-N 2 2 371.485 0.899 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc[nH+]2)CC1 ZINC000663695737 493612493 /nfs/dbraw/zinc/61/24/93/493612493.db2.gz MWZLPXYGTQUJAU-MRXNPFEDSA-N 2 2 361.490 0.986 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNc2nc3cc(S(N)(=O)=O)ccc3[nH]2)CC1 ZINC000663691495 493612603 /nfs/dbraw/zinc/61/26/03/493612603.db2.gz HNDOYDWICOQKCR-UHFFFAOYSA-N 2 2 366.491 0.648 20 0 FCADLP C[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000663701381 493613645 /nfs/dbraw/zinc/61/36/45/493613645.db2.gz NAOYTDKNHAOUGK-HOTGVXAUSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000663701380 493613705 /nfs/dbraw/zinc/61/37/05/493613705.db2.gz NAOYTDKNHAOUGK-CVEARBPZSA-N 2 2 361.490 0.985 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000670979532 493617878 /nfs/dbraw/zinc/61/78/78/493617878.db2.gz ZCZNYGIZGNYCHV-QGZVFWFLSA-N 2 2 369.469 0.989 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000670979532 493617880 /nfs/dbraw/zinc/61/78/80/493617880.db2.gz ZCZNYGIZGNYCHV-QGZVFWFLSA-N 2 2 369.469 0.989 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000670983961 493619586 /nfs/dbraw/zinc/61/95/86/493619586.db2.gz FOGFDMVKKJTILH-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000670983961 493619588 /nfs/dbraw/zinc/61/95/88/493619588.db2.gz FOGFDMVKKJTILH-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CCOCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671030854 493623978 /nfs/dbraw/zinc/62/39/78/493623978.db2.gz NEEZJTRNEHYDRU-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP CCOCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671030854 493623980 /nfs/dbraw/zinc/62/39/80/493623980.db2.gz NEEZJTRNEHYDRU-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663938055 493626700 /nfs/dbraw/zinc/62/67/00/493626700.db2.gz WLGLODDFZKEWCG-JKSUJKDBSA-N 2 2 356.511 0.896 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663938055 493626701 /nfs/dbraw/zinc/62/67/01/493626701.db2.gz WLGLODDFZKEWCG-JKSUJKDBSA-N 2 2 356.511 0.896 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000678038422 493631431 /nfs/dbraw/zinc/63/14/31/493631431.db2.gz PXQLOWIEBBJJRD-GVDBMIGSSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000678038422 493631432 /nfs/dbraw/zinc/63/14/32/493631432.db2.gz PXQLOWIEBBJJRD-GVDBMIGSSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000678038422 493631434 /nfs/dbraw/zinc/63/14/34/493631434.db2.gz PXQLOWIEBBJJRD-GVDBMIGSSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000678038422 493631436 /nfs/dbraw/zinc/63/14/36/493631436.db2.gz PXQLOWIEBBJJRD-GVDBMIGSSA-N 2 2 356.511 0.848 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(CCC(N)=O)CC3)C2)CC1 ZINC000678065987 493632509 /nfs/dbraw/zinc/63/25/09/493632509.db2.gz XBYLQVDTETYJQN-INIZCTEOSA-N 2 2 365.522 0.842 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(CCC(N)=O)CC3)C2)CC1 ZINC000678065987 493632510 /nfs/dbraw/zinc/63/25/10/493632510.db2.gz XBYLQVDTETYJQN-INIZCTEOSA-N 2 2 365.522 0.842 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671105675 493634800 /nfs/dbraw/zinc/63/48/00/493634800.db2.gz NSPBQDLABYNVKW-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671105675 493634803 /nfs/dbraw/zinc/63/48/03/493634803.db2.gz NSPBQDLABYNVKW-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122478 493639147 /nfs/dbraw/zinc/63/91/47/493639147.db2.gz BMSUCAWIIINEEU-HUUCEWRRSA-N 2 2 357.458 0.377 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122478 493639148 /nfs/dbraw/zinc/63/91/48/493639148.db2.gz BMSUCAWIIINEEU-HUUCEWRRSA-N 2 2 357.458 0.377 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)CO1 ZINC000664175179 493641614 /nfs/dbraw/zinc/64/16/14/493641614.db2.gz XQOOUWBQCZSKLL-BRWVUGGUSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H](C)CO1 ZINC000664175179 493641617 /nfs/dbraw/zinc/64/16/17/493641617.db2.gz XQOOUWBQCZSKLL-BRWVUGGUSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671153090 493644323 /nfs/dbraw/zinc/64/43/23/493644323.db2.gz DQCUZRAMJRKKBU-AWEZNQCLSA-N 2 2 361.471 0.794 20 0 FCADLP CC(C)Nc1nc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)nc(NCCO)[nH+]1 ZINC000664241513 493646738 /nfs/dbraw/zinc/64/67/38/493646738.db2.gz FYKZNEAQCXFEPU-CHWSQXEVSA-N 2 2 353.471 0.617 20 0 FCADLP CC(C)Nc1nc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)nc(NCCO)[nH+]1 ZINC000664241513 493646739 /nfs/dbraw/zinc/64/67/39/493646739.db2.gz FYKZNEAQCXFEPU-CHWSQXEVSA-N 2 2 353.471 0.617 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOC3CCCC3)C2)CC1 ZINC000671320514 493654448 /nfs/dbraw/zinc/65/44/48/493654448.db2.gz UDKVTYPOWQHCBO-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOC3CCCC3)C2)CC1 ZINC000671320514 493654449 /nfs/dbraw/zinc/65/44/49/493654449.db2.gz UDKVTYPOWQHCBO-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000671344774 493657720 /nfs/dbraw/zinc/65/77/20/493657720.db2.gz VLGSRGDCRJXKFU-PBHICJAKSA-N 2 2 371.441 0.324 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671344774 493657721 /nfs/dbraw/zinc/65/77/21/493657721.db2.gz VLGSRGDCRJXKFU-PBHICJAKSA-N 2 2 371.441 0.324 20 0 FCADLP CCCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671353892 493659245 /nfs/dbraw/zinc/65/92/45/493659245.db2.gz HPLCBVVWOLQAIO-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CCCCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671353892 493659248 /nfs/dbraw/zinc/65/92/48/493659248.db2.gz HPLCBVVWOLQAIO-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000671375921 493661894 /nfs/dbraw/zinc/66/18/94/493661894.db2.gz LZDZYPGDHXLUHN-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP CN(C)c1nccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000678843616 493662086 /nfs/dbraw/zinc/66/20/86/493662086.db2.gz KCBUTRHSEZLHJC-HNNXBMFYSA-N 2 2 361.494 0.510 20 0 FCADLP CN(C)c1nccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000678843616 493662088 /nfs/dbraw/zinc/66/20/88/493662088.db2.gz KCBUTRHSEZLHJC-HNNXBMFYSA-N 2 2 361.494 0.510 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000664490293 493662990 /nfs/dbraw/zinc/66/29/90/493662990.db2.gz JHQIHGBXZFWXFP-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000664490293 493662992 /nfs/dbraw/zinc/66/29/92/493662992.db2.gz JHQIHGBXZFWXFP-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671393921 493664057 /nfs/dbraw/zinc/66/40/57/493664057.db2.gz AFFIJWRJQOZVOT-UHFFFAOYSA-N 2 2 355.442 0.864 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+]1C ZINC000671398387 493665100 /nfs/dbraw/zinc/66/51/00/493665100.db2.gz HFMYFQHMWCHKHH-SFHVURJKSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+]1C ZINC000671398387 493665101 /nfs/dbraw/zinc/66/51/01/493665101.db2.gz HFMYFQHMWCHKHH-SFHVURJKSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396915 493665507 /nfs/dbraw/zinc/66/55/07/493665507.db2.gz VAWTWAKDBLYVCZ-RDTXWAMCSA-N 2 2 356.470 0.717 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396915 493665509 /nfs/dbraw/zinc/66/55/09/493665509.db2.gz VAWTWAKDBLYVCZ-RDTXWAMCSA-N 2 2 356.470 0.717 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600259 493670657 /nfs/dbraw/zinc/67/06/57/493670657.db2.gz SPYXJUDNKGQABO-WBVHZDCISA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600259 493670658 /nfs/dbraw/zinc/67/06/58/493670658.db2.gz SPYXJUDNKGQABO-WBVHZDCISA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600259 493670661 /nfs/dbraw/zinc/67/06/61/493670661.db2.gz SPYXJUDNKGQABO-WBVHZDCISA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600259 493670662 /nfs/dbraw/zinc/67/06/62/493670662.db2.gz SPYXJUDNKGQABO-WBVHZDCISA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600257 493671015 /nfs/dbraw/zinc/67/10/15/493671015.db2.gz SPYXJUDNKGQABO-NVXWUHKLSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600257 493671018 /nfs/dbraw/zinc/67/10/18/493671018.db2.gz SPYXJUDNKGQABO-NVXWUHKLSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600257 493671023 /nfs/dbraw/zinc/67/10/23/493671023.db2.gz SPYXJUDNKGQABO-NVXWUHKLSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600257 493671027 /nfs/dbraw/zinc/67/10/27/493671027.db2.gz SPYXJUDNKGQABO-NVXWUHKLSA-N 2 2 361.490 0.721 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506404 493683635 /nfs/dbraw/zinc/68/36/35/493683635.db2.gz HRGSUWRQYXVNCT-UHFFFAOYSA-N 2 2 360.443 0.371 20 0 FCADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000665290663 493708062 /nfs/dbraw/zinc/70/80/62/493708062.db2.gz GKYUBXOTPSXBIJ-NSHDSACASA-N 2 2 365.459 0.742 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000671950792 493717368 /nfs/dbraw/zinc/71/73/68/493717368.db2.gz TYBFLIXTXZZHAA-CQSZACIVSA-N 2 2 350.507 0.966 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671962514 493718856 /nfs/dbraw/zinc/71/88/56/493718856.db2.gz UUHMJGYSGGDUCJ-UHFFFAOYSA-N 2 2 361.471 0.714 20 0 FCADLP COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000672256682 493746715 /nfs/dbraw/zinc/74/67/15/493746715.db2.gz DSQPEHCXVKNRJH-QGZVFWFLSA-N 2 2 370.538 0.208 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC000681160881 493747943 /nfs/dbraw/zinc/74/79/43/493747943.db2.gz MOWRRNZVBAVUTB-AWEZNQCLSA-N 2 2 362.482 0.051 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC000681160881 493747945 /nfs/dbraw/zinc/74/79/45/493747945.db2.gz MOWRRNZVBAVUTB-AWEZNQCLSA-N 2 2 362.482 0.051 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214922 493750988 /nfs/dbraw/zinc/75/09/88/493750988.db2.gz DWQLQIDHLUDWAN-AEFFLSMTSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214922 493750990 /nfs/dbraw/zinc/75/09/90/493750990.db2.gz DWQLQIDHLUDWAN-AEFFLSMTSA-N 2 2 368.522 0.849 20 0 FCADLP COCCOC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217412 493751536 /nfs/dbraw/zinc/75/15/36/493751536.db2.gz FEYPTVFMTNALIH-RDJZCZTQSA-N 2 2 356.511 0.848 20 0 FCADLP COCCOC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217412 493751537 /nfs/dbraw/zinc/75/15/37/493751537.db2.gz FEYPTVFMTNALIH-RDJZCZTQSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000672311963 493755247 /nfs/dbraw/zinc/75/52/47/493755247.db2.gz XBWPRBGCNGXDRU-PVAVHDDUSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000672311963 493755248 /nfs/dbraw/zinc/75/52/48/493755248.db2.gz XBWPRBGCNGXDRU-PVAVHDDUSA-N 2 2 359.474 0.893 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168596513 534538148 /nfs/dbraw/zinc/53/81/48/534538148.db2.gz IOCZIDFVVKOJDX-ZDUSSCGKSA-N 2 2 366.412 0.477 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168596513 534538158 /nfs/dbraw/zinc/53/81/58/534538158.db2.gz IOCZIDFVVKOJDX-ZDUSSCGKSA-N 2 2 366.412 0.477 20 0 FCADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000188049361 534636667 /nfs/dbraw/zinc/63/66/67/534636667.db2.gz HRAKXSMXPHBTCF-MRXNPFEDSA-N 2 2 353.850 0.851 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415153014 536428700 /nfs/dbraw/zinc/42/87/00/536428700.db2.gz IEQPEQBTPFCRDX-OAHLLOKOSA-N 2 2 358.446 0.987 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410792402 527804491 /nfs/dbraw/zinc/80/44/91/527804491.db2.gz OPXQGQPLOLESSH-DOTOQJQBSA-N 2 2 360.458 0.862 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410792402 527804497 /nfs/dbraw/zinc/80/44/97/527804497.db2.gz OPXQGQPLOLESSH-DOTOQJQBSA-N 2 2 360.458 0.862 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000410730129 527817176 /nfs/dbraw/zinc/81/71/76/527817176.db2.gz LOEIXTKIFVAPSF-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000410730129 527817178 /nfs/dbraw/zinc/81/71/78/527817178.db2.gz LOEIXTKIFVAPSF-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000410730129 527817182 /nfs/dbraw/zinc/81/71/82/527817182.db2.gz LOEIXTKIFVAPSF-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000410730129 527817184 /nfs/dbraw/zinc/81/71/84/527817184.db2.gz LOEIXTKIFVAPSF-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1C ZINC000410721332 527819788 /nfs/dbraw/zinc/81/97/88/527819788.db2.gz MFUMMZBNGOSJDP-QGZVFWFLSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1C ZINC000410721332 527819791 /nfs/dbraw/zinc/81/97/91/527819791.db2.gz MFUMMZBNGOSJDP-QGZVFWFLSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC[N@@H+]1C ZINC000410730382 527821747 /nfs/dbraw/zinc/82/17/47/527821747.db2.gz MJINNBFOKCKOTP-IAGOWNOFSA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC[N@H+]1C ZINC000410730382 527821755 /nfs/dbraw/zinc/82/17/55/527821755.db2.gz MJINNBFOKCKOTP-IAGOWNOFSA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000193292241 528014072 /nfs/dbraw/zinc/01/40/72/528014072.db2.gz GXYPQSYNBFRECC-SFHVURJKSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000193292241 528014075 /nfs/dbraw/zinc/01/40/75/528014075.db2.gz GXYPQSYNBFRECC-SFHVURJKSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000410847140 528144876 /nfs/dbraw/zinc/14/48/76/528144876.db2.gz VNKIRXWWKFFUIB-MRXNPFEDSA-N 2 2 363.462 0.185 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000410925214 528391166 /nfs/dbraw/zinc/39/11/66/528391166.db2.gz LRSQUKDRXKLQET-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000410925214 528391170 /nfs/dbraw/zinc/39/11/70/528391170.db2.gz LRSQUKDRXKLQET-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000410925214 528391173 /nfs/dbraw/zinc/39/11/73/528391173.db2.gz LRSQUKDRXKLQET-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000410925214 528391179 /nfs/dbraw/zinc/39/11/79/528391179.db2.gz LRSQUKDRXKLQET-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000410799650 528444503 /nfs/dbraw/zinc/44/45/03/528444503.db2.gz FJZBAKPJCZNUSQ-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000411022473 528730684 /nfs/dbraw/zinc/73/06/84/528730684.db2.gz JFGUAIMTWOBRGR-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000411022473 528730688 /nfs/dbraw/zinc/73/06/88/528730688.db2.gz JFGUAIMTWOBRGR-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018327 529072748 /nfs/dbraw/zinc/07/27/48/529072748.db2.gz CZNIYVQRNLQGGA-BBWFWOEESA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018327 529072749 /nfs/dbraw/zinc/07/27/49/529072749.db2.gz CZNIYVQRNLQGGA-BBWFWOEESA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018327 529072750 /nfs/dbraw/zinc/07/27/50/529072750.db2.gz CZNIYVQRNLQGGA-BBWFWOEESA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000411018327 529072751 /nfs/dbraw/zinc/07/27/51/529072751.db2.gz CZNIYVQRNLQGGA-BBWFWOEESA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000173709392 529151456 /nfs/dbraw/zinc/15/14/56/529151456.db2.gz BDOZGMXNIRVJEY-IAGOWNOFSA-N 2 2 360.506 0.546 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000173709392 529151457 /nfs/dbraw/zinc/15/14/57/529151457.db2.gz BDOZGMXNIRVJEY-IAGOWNOFSA-N 2 2 360.506 0.546 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCO1 ZINC000410824872 529260676 /nfs/dbraw/zinc/26/06/76/529260676.db2.gz NJRBHENIYLFUST-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCO1 ZINC000410824872 529260677 /nfs/dbraw/zinc/26/06/77/529260677.db2.gz NJRBHENIYLFUST-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)[NH+]1CCOCC1 ZINC000451598539 535103560 /nfs/dbraw/zinc/10/35/60/535103560.db2.gz WCKVNYSFFBRZNS-FUHWJXTLSA-N 2 2 353.507 0.600 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423545950 535604421 /nfs/dbraw/zinc/60/44/21/535604421.db2.gz BGHHUELTCUSRFE-SOUVJXGZSA-N 2 2 362.478 0.201 20 0 FCADLP CCN1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000415200339 535608101 /nfs/dbraw/zinc/60/81/01/535608101.db2.gz DYOIGYYOXGSNSD-MRXNPFEDSA-N 2 2 370.457 0.973 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3[NH3+])c2)CC1 ZINC000424131779 535725414 /nfs/dbraw/zinc/72/54/14/535725414.db2.gz GTYZUAVRPFCQCC-CABCVRRESA-N 2 2 352.460 0.299 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC000441856363 535895184 /nfs/dbraw/zinc/89/51/84/535895184.db2.gz CEAIHUWAQAGXKJ-UHFFFAOYSA-N 2 2 359.430 0.720 20 0 FCADLP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000453941000 535927865 /nfs/dbraw/zinc/92/78/65/535927865.db2.gz GRHSKXHNLLFZKZ-CALCHBBNSA-N 2 2 374.485 0.709 20 0 FCADLP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000453941000 535927870 /nfs/dbraw/zinc/92/78/70/535927870.db2.gz GRHSKXHNLLFZKZ-CALCHBBNSA-N 2 2 374.485 0.709 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000453967008 536035135 /nfs/dbraw/zinc/03/51/35/536035135.db2.gz SQEXVYCVBJNCDS-CALCHBBNSA-N 2 2 360.458 0.666 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000453967008 536035141 /nfs/dbraw/zinc/03/51/41/536035141.db2.gz SQEXVYCVBJNCDS-CALCHBBNSA-N 2 2 360.458 0.666 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)c1c(F)cccc1F ZINC000417664597 536128811 /nfs/dbraw/zinc/12/88/11/536128811.db2.gz WZFYOBYBNQUJNK-HNNXBMFYSA-N 2 2 355.433 0.772 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000423809753 536340847 /nfs/dbraw/zinc/34/08/47/536340847.db2.gz MPEGHLDZFYELOS-INIZCTEOSA-N 2 2 365.430 0.109 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425404642 536400181 /nfs/dbraw/zinc/40/01/81/536400181.db2.gz PTWGRYWYGZBHRE-ZWKOTPCHSA-N 2 2 356.470 0.493 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425404642 536400186 /nfs/dbraw/zinc/40/01/86/536400186.db2.gz PTWGRYWYGZBHRE-ZWKOTPCHSA-N 2 2 356.470 0.493 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000419307701 536416960 /nfs/dbraw/zinc/41/69/60/536416960.db2.gz OCTMRMALGJZXAY-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)C3([NH+]4CCOCC4)CCC3)CC2)C1=O ZINC000425316194 536478239 /nfs/dbraw/zinc/47/82/39/536478239.db2.gz XYGICVODPQUJFP-INIZCTEOSA-N 2 2 364.490 0.053 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000425381734 536487274 /nfs/dbraw/zinc/48/72/74/536487274.db2.gz GCXGJVMOIRFFLU-USXIJHARSA-N 2 2 358.442 0.614 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000425381734 536487276 /nfs/dbraw/zinc/48/72/76/536487276.db2.gz GCXGJVMOIRFFLU-USXIJHARSA-N 2 2 358.442 0.614 20 0 FCADLP COC[C@H]1C[N@H+](CCOCC[NH+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281295 536586346 /nfs/dbraw/zinc/58/63/46/536586346.db2.gz GMYKPRYVZOTCHA-XLAORIBOSA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@H]1C[N@@H+](CCOCC[NH+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281295 536586347 /nfs/dbraw/zinc/58/63/47/536586347.db2.gz GMYKPRYVZOTCHA-XLAORIBOSA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281295 536586351 /nfs/dbraw/zinc/58/63/51/536586351.db2.gz GMYKPRYVZOTCHA-XLAORIBOSA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@H]1C[NH+](CCOCC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281295 536586352 /nfs/dbraw/zinc/58/63/52/536586352.db2.gz GMYKPRYVZOTCHA-XLAORIBOSA-N 2 2 360.495 0.474 20 0 FCADLP CN(c1ncncc1Cl)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000468712213 546528452 /nfs/dbraw/zinc/52/84/52/546528452.db2.gz YAFZOKLHTJLURH-UHFFFAOYSA-N 2 2 366.897 0.805 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000133737936 546574423 /nfs/dbraw/zinc/57/44/23/546574423.db2.gz PFOBCGYIDHZTSY-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737936 546574427 /nfs/dbraw/zinc/57/44/27/546574427.db2.gz PFOBCGYIDHZTSY-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000133737936 546574432 /nfs/dbraw/zinc/57/44/32/546574432.db2.gz PFOBCGYIDHZTSY-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737936 546574436 /nfs/dbraw/zinc/57/44/36/546574436.db2.gz PFOBCGYIDHZTSY-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940308 546872598 /nfs/dbraw/zinc/87/25/98/546872598.db2.gz STGFSVXQZJLKCR-GDBMZVCRSA-N 2 2 368.503 0.052 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940308 546872599 /nfs/dbraw/zinc/87/25/99/546872599.db2.gz STGFSVXQZJLKCR-GDBMZVCRSA-N 2 2 368.503 0.052 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433401115 546922534 /nfs/dbraw/zinc/92/25/34/546922534.db2.gz WJYHPXNQMMNXNY-HNNXBMFYSA-N 2 2 350.467 0.385 20 0 FCADLP CC1(C)[C@H]([NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000641803583 546960405 /nfs/dbraw/zinc/96/04/05/546960405.db2.gz TXYALXZDFJKESZ-JKSUJKDBSA-N 3 2 352.523 0.853 20 0 FCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000641803582 546960508 /nfs/dbraw/zinc/96/05/08/546960508.db2.gz TXYALXZDFJKESZ-HZPDHXFCSA-N 3 2 352.523 0.853 20 0 FCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281496 547050731 /nfs/dbraw/zinc/05/07/31/547050731.db2.gz BBTULMKLJIJQEV-RHSMWYFYSA-N 2 2 353.488 0.944 20 0 FCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281496 547050735 /nfs/dbraw/zinc/05/07/35/547050735.db2.gz BBTULMKLJIJQEV-RHSMWYFYSA-N 2 2 353.488 0.944 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000549940483 547075316 /nfs/dbraw/zinc/07/53/16/547075316.db2.gz KDZOWCDIDUBQJJ-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000549992557 547076933 /nfs/dbraw/zinc/07/69/33/547076933.db2.gz DNNHJBHTINMAOX-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000549992557 547076937 /nfs/dbraw/zinc/07/69/37/547076937.db2.gz DNNHJBHTINMAOX-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000550330059 547082798 /nfs/dbraw/zinc/08/27/98/547082798.db2.gz PCBWWJWCPFWWSW-UHFFFAOYSA-N 2 2 352.504 0.680 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000550330059 547082801 /nfs/dbraw/zinc/08/28/01/547082801.db2.gz PCBWWJWCPFWWSW-UHFFFAOYSA-N 2 2 352.504 0.680 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000550645969 547092332 /nfs/dbraw/zinc/09/23/32/547092332.db2.gz QWUJIMPTSGKKLL-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000550645969 547092337 /nfs/dbraw/zinc/09/23/37/547092337.db2.gz QWUJIMPTSGKKLL-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000550689202 547097515 /nfs/dbraw/zinc/09/75/15/547097515.db2.gz UUPICXHXPCNIRN-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000550689202 547097519 /nfs/dbraw/zinc/09/75/19/547097519.db2.gz UUPICXHXPCNIRN-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000550688582 547097923 /nfs/dbraw/zinc/09/79/23/547097923.db2.gz FFYXCICGWGXJLQ-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000550689200 547097998 /nfs/dbraw/zinc/09/79/98/547097998.db2.gz UUPICXHXPCNIRN-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000550689200 547098003 /nfs/dbraw/zinc/09/80/03/547098003.db2.gz UUPICXHXPCNIRN-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000550691476 547098751 /nfs/dbraw/zinc/09/87/51/547098751.db2.gz HHSURVBSOHHCIH-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000550691476 547098756 /nfs/dbraw/zinc/09/87/56/547098756.db2.gz HHSURVBSOHHCIH-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000551142337 547128655 /nfs/dbraw/zinc/12/86/55/547128655.db2.gz APZIDEYINPSVBU-HZPDHXFCSA-N 2 2 374.551 0.573 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000551142337 547128657 /nfs/dbraw/zinc/12/86/57/547128657.db2.gz APZIDEYINPSVBU-HZPDHXFCSA-N 2 2 374.551 0.573 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000552309677 547200641 /nfs/dbraw/zinc/20/06/41/547200641.db2.gz RNLGWPVLCJMIBV-GOEBONIOSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552862043 547235789 /nfs/dbraw/zinc/23/57/89/547235789.db2.gz YRGURCAAXJNZMN-AWEZNQCLSA-N 2 2 370.563 0.919 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000553619733 547294706 /nfs/dbraw/zinc/29/47/06/547294706.db2.gz ZZOJAFPSOYDDSO-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000737498417 598286759 /nfs/dbraw/zinc/28/67/59/598286759.db2.gz FPRFGKFEQUOHLC-LLVKDONJSA-N 2 2 352.406 0.840 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000245452685 674489080 /nfs/dbraw/zinc/48/90/80/674489080.db2.gz QPMGBSQDQWRVGL-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000245452685 674489086 /nfs/dbraw/zinc/48/90/86/674489086.db2.gz QPMGBSQDQWRVGL-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000245452685 674489088 /nfs/dbraw/zinc/48/90/88/674489088.db2.gz QPMGBSQDQWRVGL-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000245452685 674489092 /nfs/dbraw/zinc/48/90/92/674489092.db2.gz QPMGBSQDQWRVGL-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625669 607073298 /nfs/dbraw/zinc/07/32/98/607073298.db2.gz UATMLHNZZOQKCG-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625669 607073300 /nfs/dbraw/zinc/07/33/00/607073300.db2.gz UATMLHNZZOQKCG-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625669 607073302 /nfs/dbraw/zinc/07/33/02/607073302.db2.gz UATMLHNZZOQKCG-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625669 607073304 /nfs/dbraw/zinc/07/33/04/607073304.db2.gz UATMLHNZZOQKCG-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625559 607105555 /nfs/dbraw/zinc/10/55/55/607105555.db2.gz QNZGHVPHJCGWPW-OWCLPIDISA-N 2 2 355.446 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625559 607105556 /nfs/dbraw/zinc/10/55/56/607105556.db2.gz QNZGHVPHJCGWPW-OWCLPIDISA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625559 607105558 /nfs/dbraw/zinc/10/55/58/607105558.db2.gz QNZGHVPHJCGWPW-OWCLPIDISA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625559 607105560 /nfs/dbraw/zinc/10/55/60/607105560.db2.gz QNZGHVPHJCGWPW-OWCLPIDISA-N 2 2 355.446 0.809 20 0 FCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826331581 608253759 /nfs/dbraw/zinc/25/37/59/608253759.db2.gz PBJLTJYLZJOUEF-GFCCVEGCSA-N 2 2 354.422 0.372 20 0 FCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826331581 608253761 /nfs/dbraw/zinc/25/37/61/608253761.db2.gz PBJLTJYLZJOUEF-GFCCVEGCSA-N 2 2 354.422 0.372 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000825001245 608451137 /nfs/dbraw/zinc/45/11/37/608451137.db2.gz XXLULOYGFGPYEJ-UONOGXRCSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000825001245 608451139 /nfs/dbraw/zinc/45/11/39/608451139.db2.gz XXLULOYGFGPYEJ-UONOGXRCSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000825001245 608451140 /nfs/dbraw/zinc/45/11/40/608451140.db2.gz XXLULOYGFGPYEJ-UONOGXRCSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000825001245 608451142 /nfs/dbraw/zinc/45/11/42/608451142.db2.gz XXLULOYGFGPYEJ-UONOGXRCSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969703716 663189976 /nfs/dbraw/zinc/18/99/76/663189976.db2.gz IRRFWPWPWIMPNW-CKEIUWERSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969703716 663189978 /nfs/dbraw/zinc/18/99/78/663189978.db2.gz IRRFWPWPWIMPNW-CKEIUWERSA-N 2 2 350.507 0.822 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891505913 663410407 /nfs/dbraw/zinc/41/04/07/663410407.db2.gz BLEJCVIXSLAPKT-VXGBXAGGSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891505913 663410409 /nfs/dbraw/zinc/41/04/09/663410409.db2.gz BLEJCVIXSLAPKT-VXGBXAGGSA-N 2 2 352.401 0.876 20 0 FCADLP COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC000971782314 663428411 /nfs/dbraw/zinc/42/84/11/663428411.db2.gz SPRKFSUUKIUMRW-VNHYZAJKSA-N 2 2 352.435 0.435 20 0 FCADLP COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC000971782314 663428413 /nfs/dbraw/zinc/42/84/13/663428413.db2.gz SPRKFSUUKIUMRW-VNHYZAJKSA-N 2 2 352.435 0.435 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC000971782314 663428414 /nfs/dbraw/zinc/42/84/14/663428414.db2.gz SPRKFSUUKIUMRW-VNHYZAJKSA-N 2 2 352.435 0.435 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC000971782314 663428415 /nfs/dbraw/zinc/42/84/15/663428415.db2.gz SPRKFSUUKIUMRW-VNHYZAJKSA-N 2 2 352.435 0.435 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001022275166 663428872 /nfs/dbraw/zinc/42/88/72/663428872.db2.gz ILWLTYPNNGOAOE-XGFWRYKXSA-N 2 2 351.451 0.649 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001022275166 663428873 /nfs/dbraw/zinc/42/88/73/663428873.db2.gz ILWLTYPNNGOAOE-XGFWRYKXSA-N 2 2 351.451 0.649 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276432 663429261 /nfs/dbraw/zinc/42/92/61/663429261.db2.gz JRBLFPLKMOFREM-APIJFGDWSA-N 2 2 350.467 0.144 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276432 663429263 /nfs/dbraw/zinc/42/92/63/663429263.db2.gz JRBLFPLKMOFREM-APIJFGDWSA-N 2 2 350.467 0.144 20 0 FCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892158196 663483455 /nfs/dbraw/zinc/48/34/55/663483455.db2.gz ZEFUJVAYODGOAC-AWEZNQCLSA-N 2 2 354.405 0.344 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCCCCC2)CC[N@@H+]1C ZINC001038264683 663608274 /nfs/dbraw/zinc/60/82/74/663608274.db2.gz DXXDJHSFPQAIMZ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCCCCC2)CC[N@H+]1C ZINC001038264683 663608275 /nfs/dbraw/zinc/60/82/75/663608275.db2.gz DXXDJHSFPQAIMZ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCCCCC2)CC[NH+]1C ZINC001038264683 663608277 /nfs/dbraw/zinc/60/82/77/663608277.db2.gz DXXDJHSFPQAIMZ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCCCCC2)CC[NH+]1C ZINC001038264683 663608279 /nfs/dbraw/zinc/60/82/79/663608279.db2.gz DXXDJHSFPQAIMZ-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023507748 663636495 /nfs/dbraw/zinc/63/64/95/663636495.db2.gz YCZVDQFRNLHLBX-ZACQAIPSSA-N 2 2 357.470 0.664 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](CCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023507748 663636496 /nfs/dbraw/zinc/63/64/96/663636496.db2.gz YCZVDQFRNLHLBX-ZACQAIPSSA-N 2 2 357.470 0.664 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001024038796 663868050 /nfs/dbraw/zinc/86/80/50/663868050.db2.gz KTWYCMGEGUEKLL-BPLDGKMQSA-N 2 2 350.467 0.160 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001024038796 663868052 /nfs/dbraw/zinc/86/80/52/663868052.db2.gz KTWYCMGEGUEKLL-BPLDGKMQSA-N 2 2 350.467 0.160 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnsn3)C2)O1 ZINC001024039007 663868090 /nfs/dbraw/zinc/86/80/90/663868090.db2.gz MJBVEICKAFYLKH-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cnsn3)C2)O1 ZINC001024039007 663868095 /nfs/dbraw/zinc/86/80/95/663868095.db2.gz MJBVEICKAFYLKH-VNHYZAJKSA-N 2 2 353.492 0.585 20 0 FCADLP CN(C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000180474109 664053828 /nfs/dbraw/zinc/05/38/28/664053828.db2.gz MOVDCHCXUJJYNB-OAHLLOKOSA-N 2 2 354.495 0.949 20 0 FCADLP CN(C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000180474109 664053830 /nfs/dbraw/zinc/05/38/30/664053830.db2.gz MOVDCHCXUJJYNB-OAHLLOKOSA-N 2 2 354.495 0.949 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929864 664155669 /nfs/dbraw/zinc/15/56/69/664155669.db2.gz MBFPLUXARARZBS-JKSUJKDBSA-N 2 2 372.535 0.374 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929864 664155670 /nfs/dbraw/zinc/15/56/70/664155670.db2.gz MBFPLUXARARZBS-JKSUJKDBSA-N 2 2 372.535 0.374 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000892930098 664155719 /nfs/dbraw/zinc/15/57/19/664155719.db2.gz QPIVXHQKSADOHO-CQSZACIVSA-N 2 2 360.524 0.136 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000892930098 664155720 /nfs/dbraw/zinc/15/57/20/664155720.db2.gz QPIVXHQKSADOHO-CQSZACIVSA-N 2 2 360.524 0.136 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000925611604 664235974 /nfs/dbraw/zinc/23/59/74/664235974.db2.gz NDQHBLQVJILZTA-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP CCc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916572 664277143 /nfs/dbraw/zinc/27/71/43/664277143.db2.gz KLFCWPHSYZOHLQ-IJEWVQPXSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916572 664277146 /nfs/dbraw/zinc/27/71/46/664277146.db2.gz KLFCWPHSYZOHLQ-IJEWVQPXSA-N 2 2 350.463 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cscn4)C[C@H]32)O1 ZINC000978335124 664435207 /nfs/dbraw/zinc/43/52/07/664435207.db2.gz KYZUKYSFIDUICP-CSOUEMRRSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cscn4)C[C@H]32)O1 ZINC000978335124 664435210 /nfs/dbraw/zinc/43/52/10/664435210.db2.gz KYZUKYSFIDUICP-CSOUEMRRSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cscn4)C[C@H]32)O1 ZINC000978335124 664435213 /nfs/dbraw/zinc/43/52/13/664435213.db2.gz KYZUKYSFIDUICP-CSOUEMRRSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cscn4)C[C@H]32)O1 ZINC000978335124 664435216 /nfs/dbraw/zinc/43/52/16/664435216.db2.gz KYZUKYSFIDUICP-CSOUEMRRSA-N 2 2 350.488 0.656 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[N@H+](CC2CC2)CC1 ZINC000981664151 664834743 /nfs/dbraw/zinc/83/47/43/664834743.db2.gz YSCCYYCPSOESFY-MSOLQXFVSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[N@@H+](CC2CC2)CC1 ZINC000981664151 664834746 /nfs/dbraw/zinc/83/47/46/664834746.db2.gz YSCCYYCPSOESFY-MSOLQXFVSA-N 2 2 351.491 0.811 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C[C@@H](C)O1 ZINC000726256283 664915458 /nfs/dbraw/zinc/91/54/58/664915458.db2.gz DURDNHJQAVMYNM-BZUAXINKSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C[C@@H](C)O1 ZINC000726256283 664915460 /nfs/dbraw/zinc/91/54/60/664915460.db2.gz DURDNHJQAVMYNM-BZUAXINKSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]([NH2+]Cc1nncs1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111831 664986459 /nfs/dbraw/zinc/98/64/59/664986459.db2.gz PELWLUOVXAQRJY-UMVBOHGHSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@@H]([NH2+]Cc1nncs1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111831 664986461 /nfs/dbraw/zinc/98/64/61/664986461.db2.gz PELWLUOVXAQRJY-UMVBOHGHSA-N 2 2 367.519 0.974 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000896367546 665082347 /nfs/dbraw/zinc/08/23/47/665082347.db2.gz UNWXIIVGZYZEGY-ZBFHGGJFSA-N 2 2 352.479 0.892 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000896367546 665082349 /nfs/dbraw/zinc/08/23/49/665082349.db2.gz UNWXIIVGZYZEGY-ZBFHGGJFSA-N 2 2 352.479 0.892 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001029767411 665171428 /nfs/dbraw/zinc/17/14/28/665171428.db2.gz RKMBXHHNIUBMKK-UMVBOHGHSA-N 2 2 353.492 0.538 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001029767411 665171429 /nfs/dbraw/zinc/17/14/29/665171429.db2.gz RKMBXHHNIUBMKK-UMVBOHGHSA-N 2 2 353.492 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3cnns3)C2)O1 ZINC001029767411 665171431 /nfs/dbraw/zinc/17/14/31/665171431.db2.gz RKMBXHHNIUBMKK-UMVBOHGHSA-N 2 2 353.492 0.538 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnns3)C2)O1 ZINC001029767411 665171432 /nfs/dbraw/zinc/17/14/32/665171432.db2.gz RKMBXHHNIUBMKK-UMVBOHGHSA-N 2 2 353.492 0.538 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905123077 666006246 /nfs/dbraw/zinc/00/62/46/666006246.db2.gz XABVQINLHSCCJB-ZWKOTPCHSA-N 2 2 355.523 0.429 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905330211 666019233 /nfs/dbraw/zinc/01/92/33/666019233.db2.gz PVRCREPHDMXXIC-HNNXBMFYSA-N 2 2 357.476 0.337 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CONC(=O)OC(C)(C)C)C2)CC1 ZINC000906661167 666062893 /nfs/dbraw/zinc/06/28/93/666062893.db2.gz OHYLPGPDTZRORZ-CYBMUJFWSA-N 2 2 356.467 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CONC(=O)OC(C)(C)C)C2)CC1 ZINC000906661167 666062898 /nfs/dbraw/zinc/06/28/98/666062898.db2.gz OHYLPGPDTZRORZ-CYBMUJFWSA-N 2 2 356.467 0.727 20 0 FCADLP O=C(NC1CC([NH+]2CCOCC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000911560743 666366028 /nfs/dbraw/zinc/36/60/28/666366028.db2.gz GISWARFJBAYGPI-UHFFFAOYSA-N 2 2 351.491 0.857 20 0 FCADLP O=C1C[C@]2(CCSC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069375361 666507340 /nfs/dbraw/zinc/50/73/40/666507340.db2.gz CFWAOKDSSMAWAN-SFHVURJKSA-N 2 2 367.515 0.870 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064454 666689172 /nfs/dbraw/zinc/68/91/72/666689172.db2.gz OUINIRNLZQMSPJ-MRXNPFEDSA-N 2 2 353.511 0.522 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064454 666689173 /nfs/dbraw/zinc/68/91/73/666689173.db2.gz OUINIRNLZQMSPJ-MRXNPFEDSA-N 2 2 353.511 0.522 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)o1 ZINC000995956991 666897072 /nfs/dbraw/zinc/89/70/72/666897072.db2.gz IXGZDPHDNJZKIV-BNOWGMLFSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)o1 ZINC000995956991 666897075 /nfs/dbraw/zinc/89/70/75/666897075.db2.gz IXGZDPHDNJZKIV-BNOWGMLFSA-N 2 2 351.451 0.424 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000734272245 666958547 /nfs/dbraw/zinc/95/85/47/666958547.db2.gz PEEGJCKOBSBDAR-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000734272245 666958553 /nfs/dbraw/zinc/95/85/53/666958553.db2.gz PEEGJCKOBSBDAR-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000734272243 666958685 /nfs/dbraw/zinc/95/86/85/666958685.db2.gz PEEGJCKOBSBDAR-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000734272243 666958686 /nfs/dbraw/zinc/95/86/86/666958686.db2.gz PEEGJCKOBSBDAR-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665693 666977592 /nfs/dbraw/zinc/97/75/92/666977592.db2.gz PSRLXBLJOYRPMG-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665693 666977594 /nfs/dbraw/zinc/97/75/94/666977594.db2.gz PSRLXBLJOYRPMG-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000734665693 666977598 /nfs/dbraw/zinc/97/75/98/666977598.db2.gz PSRLXBLJOYRPMG-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCO1 ZINC000734665693 666977601 /nfs/dbraw/zinc/97/76/01/666977601.db2.gz PSRLXBLJOYRPMG-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000916017175 666986628 /nfs/dbraw/zinc/98/66/28/666986628.db2.gz VUWQIOCZMXCQJT-QGZVFWFLSA-N 2 2 370.563 0.770 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000916017175 666986629 /nfs/dbraw/zinc/98/66/29/666986629.db2.gz VUWQIOCZMXCQJT-QGZVFWFLSA-N 2 2 370.563 0.770 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224709 667065211 /nfs/dbraw/zinc/06/52/11/667065211.db2.gz SRMYHDLISKNARC-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000917224709 667065214 /nfs/dbraw/zinc/06/52/14/667065214.db2.gz SRMYHDLISKNARC-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP CC(C)c1[nH+]ccn1CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000921526643 667102073 /nfs/dbraw/zinc/10/20/73/667102073.db2.gz FVUHPRKYLQCKPG-UHFFFAOYSA-N 2 2 357.524 0.563 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000919510570 667182645 /nfs/dbraw/zinc/18/26/45/667182645.db2.gz UZEYAIUWCCLLJG-KRWDZBQOSA-N 2 2 355.527 0.424 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000921667388 667215122 /nfs/dbraw/zinc/21/51/22/667215122.db2.gz GXDFHIOJKBDPBI-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+]1CCC(NC(=S)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000920310326 667234857 /nfs/dbraw/zinc/23/48/57/667234857.db2.gz MRJDVXBZOMVNKU-MRXNPFEDSA-N 2 2 358.577 0.753 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000999498643 667240792 /nfs/dbraw/zinc/24/07/92/667240792.db2.gz XJDZXHOGDLAALR-DVOMOZLQSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000999498643 667240799 /nfs/dbraw/zinc/24/07/99/667240799.db2.gz XJDZXHOGDLAALR-DVOMOZLQSA-N 2 2 369.897 0.873 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000999492378 667241542 /nfs/dbraw/zinc/24/15/42/667241542.db2.gz APOVHZSLEKITFB-MGPQQGTHSA-N 2 2 351.451 0.432 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000999492378 667241548 /nfs/dbraw/zinc/24/15/48/667241548.db2.gz APOVHZSLEKITFB-MGPQQGTHSA-N 2 2 351.451 0.432 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000999494044 667241609 /nfs/dbraw/zinc/24/16/09/667241609.db2.gz HMORRVBCEFAOFZ-MGPQQGTHSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000999494044 667241616 /nfs/dbraw/zinc/24/16/16/667241616.db2.gz HMORRVBCEFAOFZ-MGPQQGTHSA-N 2 2 369.897 0.873 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC000999495923 667242083 /nfs/dbraw/zinc/24/20/83/667242083.db2.gz MQIGNBTTYXHYEY-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC000999495923 667242086 /nfs/dbraw/zinc/24/20/86/667242086.db2.gz MQIGNBTTYXHYEY-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033289112 667727553 /nfs/dbraw/zinc/72/75/53/667727553.db2.gz GTGIIZXOWNWRQB-ZACQAIPSSA-N 2 2 357.470 0.759 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001033835662 667739101 /nfs/dbraw/zinc/73/91/01/667739101.db2.gz AKPPBNPVBVGHET-OWCLPIDISA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001033835662 667739104 /nfs/dbraw/zinc/73/91/04/667739104.db2.gz AKPPBNPVBVGHET-OWCLPIDISA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001033835662 667739106 /nfs/dbraw/zinc/73/91/06/667739106.db2.gz AKPPBNPVBVGHET-OWCLPIDISA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001033835662 667739110 /nfs/dbraw/zinc/73/91/10/667739110.db2.gz AKPPBNPVBVGHET-OWCLPIDISA-N 2 2 359.536 0.684 20 0 FCADLP C[N@H+](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCSC1 ZINC000758020111 667741868 /nfs/dbraw/zinc/74/18/68/667741868.db2.gz GNBOPCFPJXYPNU-CQSZACIVSA-N 2 2 363.549 0.049 20 0 FCADLP C[N@@H+](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCSC1 ZINC000758020111 667741873 /nfs/dbraw/zinc/74/18/73/667741873.db2.gz GNBOPCFPJXYPNU-CQSZACIVSA-N 2 2 363.549 0.049 20 0 FCADLP COC(=O)c1ncn(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000758253891 667749673 /nfs/dbraw/zinc/74/96/73/667749673.db2.gz NKRYBQGSMZRYTC-UHFFFAOYSA-N 2 2 350.467 0.372 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000702583056 667751944 /nfs/dbraw/zinc/75/19/44/667751944.db2.gz CVWMHDDNJVYFNE-GOSISDBHSA-N 2 2 367.515 0.639 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000702583056 667751953 /nfs/dbraw/zinc/75/19/53/667751953.db2.gz CVWMHDDNJVYFNE-GOSISDBHSA-N 2 2 367.515 0.639 20 0 FCADLP COCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034940003 667772590 /nfs/dbraw/zinc/77/25/90/667772590.db2.gz RELYZSFDQVTSJW-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034940003 667772592 /nfs/dbraw/zinc/77/25/92/667772592.db2.gz RELYZSFDQVTSJW-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000759856258 667824605 /nfs/dbraw/zinc/82/46/05/667824605.db2.gz QJZIJVIMMGFEGY-HNNXBMFYSA-N 2 2 353.463 0.708 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000838414397 667934304 /nfs/dbraw/zinc/93/43/04/667934304.db2.gz HLYHHUPMMZYOBD-HNNXBMFYSA-N 2 2 374.551 0.621 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CN1CC[NH+]1CCOCC1 ZINC000775408657 668213925 /nfs/dbraw/zinc/21/39/25/668213925.db2.gz BFANSHNERDWQDS-HWMZRRJGSA-N 2 2 371.572 0.889 20 0 FCADLP C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217861 668294529 /nfs/dbraw/zinc/29/45/29/668294529.db2.gz FHXKUQAPSUOLHQ-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217861 668294534 /nfs/dbraw/zinc/29/45/34/668294534.db2.gz FHXKUQAPSUOLHQ-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000782269790 668552372 /nfs/dbraw/zinc/55/23/72/668552372.db2.gz DIZZJVOIBGLRDA-INIZCTEOSA-N 2 2 353.463 0.400 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000783201259 668605124 /nfs/dbraw/zinc/60/51/24/668605124.db2.gz CLKLRYWLORAOON-MRXNPFEDSA-N 2 2 354.495 0.996 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000786765915 668775556 /nfs/dbraw/zinc/77/55/56/668775556.db2.gz NRNNPWGASDTYGU-IJEWVQPXSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000786765915 668775557 /nfs/dbraw/zinc/77/55/57/668775557.db2.gz NRNNPWGASDTYGU-IJEWVQPXSA-N 2 2 352.479 0.748 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1N=NC(=S)N1C ZINC000820255074 669070813 /nfs/dbraw/zinc/07/08/13/669070813.db2.gz CBQSRMOJUTXNOI-UHFFFAOYSA-N 2 2 369.539 0.314 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1N=NC(=S)N1C ZINC000820255074 669070818 /nfs/dbraw/zinc/07/08/18/669070818.db2.gz CBQSRMOJUTXNOI-UHFFFAOYSA-N 2 2 369.539 0.314 20 0 FCADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000821891463 669226488 /nfs/dbraw/zinc/22/64/88/669226488.db2.gz DUPNYMCVUKHMRU-MSOLQXFVSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC000799173036 669287101 /nfs/dbraw/zinc/28/71/01/669287101.db2.gz KKXQJMYVEIMLEQ-UHFFFAOYSA-N 2 2 350.385 0.151 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000807576501 669501725 /nfs/dbraw/zinc/50/17/25/669501725.db2.gz RFASZMBIRKKCQA-KBPBESRZSA-N 2 2 357.499 0.787 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000807576501 669501728 /nfs/dbraw/zinc/50/17/28/669501728.db2.gz RFASZMBIRKKCQA-KBPBESRZSA-N 2 2 357.499 0.787 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000807576503 669501784 /nfs/dbraw/zinc/50/17/84/669501784.db2.gz RFASZMBIRKKCQA-UONOGXRCSA-N 2 2 357.499 0.787 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000807576503 669501786 /nfs/dbraw/zinc/50/17/86/669501786.db2.gz RFASZMBIRKKCQA-UONOGXRCSA-N 2 2 357.499 0.787 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000826974927 669529897 /nfs/dbraw/zinc/52/98/97/669529897.db2.gz NSPCFYMSHYKXKI-QLFBSQMISA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000826974927 669529900 /nfs/dbraw/zinc/52/99/00/669529900.db2.gz NSPCFYMSHYKXKI-QLFBSQMISA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000826974927 669529905 /nfs/dbraw/zinc/52/99/05/669529905.db2.gz NSPCFYMSHYKXKI-QLFBSQMISA-N 2 2 354.495 0.994 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000826974927 669529908 /nfs/dbraw/zinc/52/99/08/669529908.db2.gz NSPCFYMSHYKXKI-QLFBSQMISA-N 2 2 354.495 0.994 20 0 FCADLP Cn1nnc(Br)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000810392730 669676930 /nfs/dbraw/zinc/67/69/30/669676930.db2.gz FVPSMSNQSOAHOK-JTQLQIEISA-N 2 2 371.283 0.476 20 0 FCADLP Cn1nnc(Br)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000810392730 669676934 /nfs/dbraw/zinc/67/69/34/669676934.db2.gz FVPSMSNQSOAHOK-JTQLQIEISA-N 2 2 371.283 0.476 20 0 FCADLP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000817907477 670047883 /nfs/dbraw/zinc/04/78/83/670047883.db2.gz PMHRENFQOWPENR-CZUORRHYSA-N 2 2 354.472 0.862 20 0 FCADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCCCCCC[NH3+])CC2)cn1C ZINC000842476398 670693035 /nfs/dbraw/zinc/69/30/35/670693035.db2.gz NOWADLZBXMHYKN-UHFFFAOYSA-N 2 2 357.524 0.944 20 0 FCADLP C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346910 670802635 /nfs/dbraw/zinc/80/26/35/670802635.db2.gz KYMVXIUUAKAYDM-NEPJUHHUSA-N 2 2 353.854 0.849 20 0 FCADLP C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346910 670802647 /nfs/dbraw/zinc/80/26/47/670802647.db2.gz KYMVXIUUAKAYDM-NEPJUHHUSA-N 2 2 353.854 0.849 20 0 FCADLP CCCCN(C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843363856 670807737 /nfs/dbraw/zinc/80/77/37/670807737.db2.gz FPTZPADBPYFGTQ-MRXNPFEDSA-N 2 2 371.547 0.878 20 0 FCADLP CCCCN(C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000843363856 670807744 /nfs/dbraw/zinc/80/77/44/670807744.db2.gz FPTZPADBPYFGTQ-MRXNPFEDSA-N 2 2 371.547 0.878 20 0 FCADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845063132 670961752 /nfs/dbraw/zinc/96/17/52/670961752.db2.gz XOEBNNGUMFRMTO-IXDOHACOSA-N 2 2 352.479 0.090 20 0 FCADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845063132 670961753 /nfs/dbraw/zinc/96/17/53/670961753.db2.gz XOEBNNGUMFRMTO-IXDOHACOSA-N 2 2 352.479 0.090 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004085 671165873 /nfs/dbraw/zinc/16/58/73/671165873.db2.gz NAJYZEDYHWWZBU-RHSMWYFYSA-N 2 2 350.463 0.806 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004085 671165875 /nfs/dbraw/zinc/16/58/75/671165875.db2.gz NAJYZEDYHWWZBU-RHSMWYFYSA-N 2 2 350.463 0.806 20 0 FCADLP COC(=O)N(C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000852058419 671483784 /nfs/dbraw/zinc/48/37/84/671483784.db2.gz FYBNAPQJTIYBDE-UHFFFAOYSA-N 2 2 355.483 0.542 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087182 671486651 /nfs/dbraw/zinc/48/66/51/671486651.db2.gz FHPZJRQWUPITIE-HNNXBMFYSA-N 2 2 374.551 0.667 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087182 671486653 /nfs/dbraw/zinc/48/66/53/671486653.db2.gz FHPZJRQWUPITIE-HNNXBMFYSA-N 2 2 374.551 0.667 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000852124185 671488636 /nfs/dbraw/zinc/48/86/36/671488636.db2.gz OVPHMDDLDWWELQ-UHFFFAOYSA-N 2 2 369.531 0.949 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000852867697 671528290 /nfs/dbraw/zinc/52/82/90/671528290.db2.gz ZHLABZQOALWDEZ-CYBMUJFWSA-N 2 2 371.425 0.154 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853033369 671535505 /nfs/dbraw/zinc/53/55/05/671535505.db2.gz QVEDAKSYBMBGNE-INIZCTEOSA-N 2 2 356.536 0.426 20 0 FCADLP CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865645555 672247075 /nfs/dbraw/zinc/24/70/75/672247075.db2.gz GVGJHMHNRWAILV-OAHLLOKOSA-N 2 2 351.447 0.896 20 0 FCADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870065096 672465673 /nfs/dbraw/zinc/46/56/73/672465673.db2.gz KAWMLJKWSYGWOS-QZTJIDSGSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870065096 672465674 /nfs/dbraw/zinc/46/56/74/672465674.db2.gz KAWMLJKWSYGWOS-QZTJIDSGSA-N 2 2 351.491 0.953 20 0 FCADLP CN(C(=O)/C=C1\SCC(=O)N1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874460249 672786210 /nfs/dbraw/zinc/78/62/10/672786210.db2.gz SYRZKTLXFQOWSB-XGHPXPSOSA-N 2 2 352.504 0.660 20 0 FCADLP CN(C(=O)/C=C1\SCC(=O)N1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874460249 672786214 /nfs/dbraw/zinc/78/62/14/672786214.db2.gz SYRZKTLXFQOWSB-XGHPXPSOSA-N 2 2 352.504 0.660 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000875215816 672851117 /nfs/dbraw/zinc/85/11/17/672851117.db2.gz NENWAZRZUDGYCO-QGZVFWFLSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000875215816 672851122 /nfs/dbraw/zinc/85/11/22/672851122.db2.gz NENWAZRZUDGYCO-QGZVFWFLSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877434372 673013823 /nfs/dbraw/zinc/01/38/23/673013823.db2.gz QMIVASPOALJFPI-CABCVRRESA-N 2 2 350.467 0.433 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877434372 673013830 /nfs/dbraw/zinc/01/38/30/673013830.db2.gz QMIVASPOALJFPI-CABCVRRESA-N 2 2 350.467 0.433 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877434373 673013997 /nfs/dbraw/zinc/01/39/97/673013997.db2.gz QMIVASPOALJFPI-GJZGRUSLSA-N 2 2 350.467 0.433 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000877434373 673014008 /nfs/dbraw/zinc/01/40/08/673014008.db2.gz QMIVASPOALJFPI-GJZGRUSLSA-N 2 2 350.467 0.433 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878199352 673046827 /nfs/dbraw/zinc/04/68/27/673046827.db2.gz XZERMSWHIVETAJ-IAGOWNOFSA-N 2 2 353.507 0.671 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878199352 673046831 /nfs/dbraw/zinc/04/68/31/673046831.db2.gz XZERMSWHIVETAJ-IAGOWNOFSA-N 2 2 353.507 0.671 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878292553 673053041 /nfs/dbraw/zinc/05/30/41/673053041.db2.gz MMNVANNHSGOUND-SJORKVTESA-N 2 2 353.507 0.847 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878292553 673053046 /nfs/dbraw/zinc/05/30/46/673053046.db2.gz MMNVANNHSGOUND-SJORKVTESA-N 2 2 353.507 0.847 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878292551 673053569 /nfs/dbraw/zinc/05/35/69/673053569.db2.gz MMNVANNHSGOUND-IAGOWNOFSA-N 2 2 353.507 0.847 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878292551 673053574 /nfs/dbraw/zinc/05/35/74/673053574.db2.gz MMNVANNHSGOUND-IAGOWNOFSA-N 2 2 353.507 0.847 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051678460 676108383 /nfs/dbraw/zinc/10/83/83/676108383.db2.gz BWNHODATMYGPLW-DAXOMENPSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051678460 676108386 /nfs/dbraw/zinc/10/83/86/676108386.db2.gz BWNHODATMYGPLW-DAXOMENPSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681677 676108918 /nfs/dbraw/zinc/10/89/18/676108918.db2.gz YTGIQCMDIFCOHB-RBSFLKMASA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681677 676108925 /nfs/dbraw/zinc/10/89/25/676108925.db2.gz YTGIQCMDIFCOHB-RBSFLKMASA-N 2 2 352.435 0.019 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCCF)CC3)C2)O1 ZINC001052043101 676113435 /nfs/dbraw/zinc/11/34/35/676113435.db2.gz OTCJUKQNCJCQJA-IXDOHACOSA-N 2 2 356.486 0.284 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCCF)CC3)C2)O1 ZINC001052043101 676113437 /nfs/dbraw/zinc/11/34/37/676113437.db2.gz OTCJUKQNCJCQJA-IXDOHACOSA-N 2 2 356.486 0.284 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC001052489967 676124758 /nfs/dbraw/zinc/12/47/58/676124758.db2.gz RYRURZQXLOTTCH-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC001052489967 676124761 /nfs/dbraw/zinc/12/47/61/676124761.db2.gz RYRURZQXLOTTCH-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)O1 ZINC001052489967 676124763 /nfs/dbraw/zinc/12/47/63/676124763.db2.gz RYRURZQXLOTTCH-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)O1 ZINC001052489967 676124765 /nfs/dbraw/zinc/12/47/65/676124765.db2.gz RYRURZQXLOTTCH-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883117865 673366891 /nfs/dbraw/zinc/36/68/91/673366891.db2.gz JRVUVRUNTUNRSI-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC000883370471 673371960 /nfs/dbraw/zinc/37/19/60/673371960.db2.gz MEFJPCNSRRQVGS-AEFFLSMTSA-N 2 2 373.563 0.586 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000883472674 673378181 /nfs/dbraw/zinc/37/81/81/673378181.db2.gz GZJFIDMVGVKZFM-WBVHZDCISA-N 2 2 353.488 0.683 20 0 FCADLP COCC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000884202707 673437041 /nfs/dbraw/zinc/43/70/41/673437041.db2.gz GMGRCJNDEMWDSY-QGZVFWFLSA-N 2 2 351.447 0.378 20 0 FCADLP COCC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000884202706 673437196 /nfs/dbraw/zinc/43/71/96/673437196.db2.gz GMGRCJNDEMWDSY-KRWDZBQOSA-N 2 2 351.447 0.378 20 0 FCADLP C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000884312572 673445923 /nfs/dbraw/zinc/44/59/23/673445923.db2.gz JHHCOOZWBGQXMP-KBPBESRZSA-N 2 2 361.895 0.821 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884627307 673467206 /nfs/dbraw/zinc/46/72/06/673467206.db2.gz LPEJZMHAPWFLEH-GFCCVEGCSA-N 2 2 355.389 0.361 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000884727414 673478271 /nfs/dbraw/zinc/47/82/71/673478271.db2.gz SKDYECUHFDUSFC-OLZOCXBDSA-N 2 2 358.364 0.910 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000885280109 673511707 /nfs/dbraw/zinc/51/17/07/673511707.db2.gz NLEGXRCWQPZGNG-LBPRGKRZSA-N 2 2 355.389 0.477 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cncc(Cl)c3)C2)CC1 ZINC000890161525 673708715 /nfs/dbraw/zinc/70/87/15/673708715.db2.gz AIOBXLMLAODTLF-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cncc(Cl)c3)C2)CC1 ZINC000890161525 673708718 /nfs/dbraw/zinc/70/87/18/673708718.db2.gz AIOBXLMLAODTLF-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000925485577 673792942 /nfs/dbraw/zinc/79/29/42/673792942.db2.gz NPZJEZLDLUGNSA-JKSUJKDBSA-N 2 2 367.519 0.264 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000925590777 673794908 /nfs/dbraw/zinc/79/49/08/673794908.db2.gz UJJPIVYHMXRMHF-INIZCTEOSA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000925590777 673794909 /nfs/dbraw/zinc/79/49/09/673794909.db2.gz UJJPIVYHMXRMHF-INIZCTEOSA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000925597227 673795680 /nfs/dbraw/zinc/79/56/80/673795680.db2.gz LUEQOEGLSRRCQI-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000925597227 673795681 /nfs/dbraw/zinc/79/56/81/673795681.db2.gz LUEQOEGLSRRCQI-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000925611005 673797136 /nfs/dbraw/zinc/79/71/36/673797136.db2.gz KKRYVYOBDHYZKL-BBWFWOEESA-N 2 2 356.511 0.848 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000925611005 673797138 /nfs/dbraw/zinc/79/71/38/673797138.db2.gz KKRYVYOBDHYZKL-BBWFWOEESA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001007375584 675288525 /nfs/dbraw/zinc/28/85/25/675288525.db2.gz FDCCPIDLZIFVDG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001007375584 675288527 /nfs/dbraw/zinc/28/85/27/675288527.db2.gz FDCCPIDLZIFVDG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001007375584 675288529 /nfs/dbraw/zinc/28/85/29/675288529.db2.gz FDCCPIDLZIFVDG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001007375584 675288531 /nfs/dbraw/zinc/28/85/31/675288531.db2.gz FDCCPIDLZIFVDG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001038262667 675442787 /nfs/dbraw/zinc/44/27/87/675442787.db2.gz MSDGGXSEDTTYBX-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001038262667 675442788 /nfs/dbraw/zinc/44/27/88/675442788.db2.gz MSDGGXSEDTTYBX-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001038262667 675442789 /nfs/dbraw/zinc/44/27/89/675442789.db2.gz MSDGGXSEDTTYBX-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001038262667 675442790 /nfs/dbraw/zinc/44/27/90/675442790.db2.gz MSDGGXSEDTTYBX-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCC(C)CC2)CC[N@@H+]1C ZINC001038266132 675442909 /nfs/dbraw/zinc/44/29/09/675442909.db2.gz PNCBGELATLWIHK-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCC(C)CC2)CC[N@H+]1C ZINC001038266132 675442914 /nfs/dbraw/zinc/44/29/14/675442914.db2.gz PNCBGELATLWIHK-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCC(C)CC2)CC[NH+]1C ZINC001038266132 675442918 /nfs/dbraw/zinc/44/29/18/675442918.db2.gz PNCBGELATLWIHK-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCC(C)CC2)CC[NH+]1C ZINC001038266132 675442921 /nfs/dbraw/zinc/44/29/21/675442921.db2.gz PNCBGELATLWIHK-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001038268627 675443034 /nfs/dbraw/zinc/44/30/34/675443034.db2.gz IVQUTJGZYHTEOD-YESZJQIVSA-N 2 2 371.547 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001038268627 675443037 /nfs/dbraw/zinc/44/30/37/675443037.db2.gz IVQUTJGZYHTEOD-YESZJQIVSA-N 2 2 371.547 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038268627 675443040 /nfs/dbraw/zinc/44/30/40/675443040.db2.gz IVQUTJGZYHTEOD-YESZJQIVSA-N 2 2 371.547 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038268627 675443043 /nfs/dbraw/zinc/44/30/43/675443043.db2.gz IVQUTJGZYHTEOD-YESZJQIVSA-N 2 2 371.547 0.732 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1CCC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001038541344 675444964 /nfs/dbraw/zinc/44/49/64/675444964.db2.gz SMLZJABXKPJYLH-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1CCC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001038541344 675444966 /nfs/dbraw/zinc/44/49/66/675444966.db2.gz SMLZJABXKPJYLH-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606986 675699394 /nfs/dbraw/zinc/69/93/94/675699394.db2.gz WVHLMIIRRPYJOX-HOTGVXAUSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606986 675699395 /nfs/dbraw/zinc/69/93/95/675699395.db2.gz WVHLMIIRRPYJOX-HOTGVXAUSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCOC)C2)C1 ZINC000900606986 675699396 /nfs/dbraw/zinc/69/93/96/675699396.db2.gz WVHLMIIRRPYJOX-HOTGVXAUSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000900606986 675699397 /nfs/dbraw/zinc/69/93/97/675699397.db2.gz WVHLMIIRRPYJOX-HOTGVXAUSA-N 2 2 355.479 0.489 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000900682377 675706867 /nfs/dbraw/zinc/70/68/67/675706867.db2.gz QTQJSYOYOPLEIR-UHFFFAOYSA-N 2 2 350.511 0.909 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000900781944 675715773 /nfs/dbraw/zinc/71/57/73/675715773.db2.gz FYOSYMMYLHMYHJ-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000900781944 675715774 /nfs/dbraw/zinc/71/57/74/675715774.db2.gz FYOSYMMYLHMYHJ-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000900936105 675732922 /nfs/dbraw/zinc/73/29/22/675732922.db2.gz HURGAPWAAOXLPE-UHFFFAOYSA-N 2 2 352.523 0.726 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C[C@@H]2CCC[NH+](C)C2)CC3)CC1 ZINC001208606280 1167934039 /nfs/dbraw/zinc/93/40/39/1167934039.db2.gz DRHNRTGPWZKCGJ-QGZVFWFLSA-N 3 2 358.534 0.971 20 0 FCADLP COc1coc(C[NH+]2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC000969699522 1168062794 /nfs/dbraw/zinc/06/27/94/1168062794.db2.gz KTFHDMDUQOIJOG-WOSRLPQWSA-N 2 2 363.458 0.925 20 0 FCADLP COc1coc(C[NH+]2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC000969699522 1168062797 /nfs/dbraw/zinc/06/27/97/1168062797.db2.gz KTFHDMDUQOIJOG-WOSRLPQWSA-N 2 2 363.458 0.925 20 0 FCADLP COc1cccc(C[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958911 1168236214 /nfs/dbraw/zinc/23/62/14/1168236214.db2.gz ORQPRRNTGMJJFX-CKEIUWERSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cccc(C[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969958911 1168236217 /nfs/dbraw/zinc/23/62/17/1168236217.db2.gz ORQPRRNTGMJJFX-CKEIUWERSA-N 2 2 362.474 0.746 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001167271578 1168482142 /nfs/dbraw/zinc/48/21/42/1168482142.db2.gz YWNQMQWFDXDORR-HUUCEWRRSA-N 2 2 357.462 0.691 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001021235982 1168848776 /nfs/dbraw/zinc/84/87/76/1168848776.db2.gz RDVPDGHPNLNPSP-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001021235982 1168848778 /nfs/dbraw/zinc/84/87/78/1168848778.db2.gz RDVPDGHPNLNPSP-USXIJHARSA-N 2 2 359.474 0.506 20 0 FCADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212020653 1192335021 /nfs/dbraw/zinc/33/50/21/1192335021.db2.gz SBJUUAKACLRVGJ-JQWIXIFHSA-N 2 2 369.385 0.302 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212036013 1192340998 /nfs/dbraw/zinc/34/09/98/1192340998.db2.gz FQYBSFHMFCPHEL-IXDOHACOSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212036013 1192341001 /nfs/dbraw/zinc/34/10/01/1192341001.db2.gz FQYBSFHMFCPHEL-IXDOHACOSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001212036013 1192341005 /nfs/dbraw/zinc/34/10/05/1192341005.db2.gz FQYBSFHMFCPHEL-IXDOHACOSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001212036013 1192341008 /nfs/dbraw/zinc/34/10/08/1192341008.db2.gz FQYBSFHMFCPHEL-IXDOHACOSA-N 2 2 368.522 0.541 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112493272 1169608066 /nfs/dbraw/zinc/60/80/66/1169608066.db2.gz SFTCQQARVUNSRI-FCEWJHQRSA-N 2 2 366.506 0.191 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112493272 1169608073 /nfs/dbraw/zinc/60/80/73/1169608073.db2.gz SFTCQQARVUNSRI-FCEWJHQRSA-N 2 2 366.506 0.191 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751861 1169980208 /nfs/dbraw/zinc/98/02/08/1169980208.db2.gz NPLNRAGITKYWQK-HRCADAONSA-N 2 2 357.458 0.353 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC000988718473 1192402022 /nfs/dbraw/zinc/40/20/22/1192402022.db2.gz QVXDRFVPGINQFN-VYDXJSESSA-N 2 2 370.457 0.756 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021935598 1170324268 /nfs/dbraw/zinc/32/42/68/1170324268.db2.gz ZBNLOOGPBDXVOX-GOEBONIOSA-N 2 2 357.458 0.497 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021935598 1170324277 /nfs/dbraw/zinc/32/42/77/1170324277.db2.gz ZBNLOOGPBDXVOX-GOEBONIOSA-N 2 2 357.458 0.497 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891397664 1170345020 /nfs/dbraw/zinc/34/50/20/1170345020.db2.gz AHGSCVIOTIXSLR-ZNMIVQPWSA-N 2 2 362.434 0.240 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001022010838 1170386424 /nfs/dbraw/zinc/38/64/24/1170386424.db2.gz ZUDNIZRUNUYKET-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001022010838 1170386432 /nfs/dbraw/zinc/38/64/32/1170386432.db2.gz ZUDNIZRUNUYKET-BHYGNILZSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001022039202 1170463479 /nfs/dbraw/zinc/46/34/79/1170463479.db2.gz LFSWHBXBBKSBSX-WMLDXEAASA-N 2 2 364.409 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104367040 1170647942 /nfs/dbraw/zinc/64/79/42/1170647942.db2.gz FBXOAEKFXQSBFJ-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104367097 1170649025 /nfs/dbraw/zinc/64/90/25/1170649025.db2.gz HHQAFDDVYGBHHP-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971722719 1170801742 /nfs/dbraw/zinc/80/17/42/1170801742.db2.gz QLVIKPZCHSKXDQ-MGPQQGTHSA-N 2 2 359.430 0.195 20 0 FCADLP C[N@@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971722719 1170801744 /nfs/dbraw/zinc/80/17/44/1170801744.db2.gz QLVIKPZCHSKXDQ-MGPQQGTHSA-N 2 2 359.430 0.195 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276332 1170823876 /nfs/dbraw/zinc/82/38/76/1170823876.db2.gz GZKQGORLBKQBQG-XHJNMGKDSA-N 2 2 367.450 0.233 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276332 1170823878 /nfs/dbraw/zinc/82/38/78/1170823878.db2.gz GZKQGORLBKQBQG-XHJNMGKDSA-N 2 2 367.450 0.233 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@H+](C)CC2)C[C@@H](C)O1 ZINC000891698820 1170825272 /nfs/dbraw/zinc/82/52/72/1170825272.db2.gz KXZUAKWPHCQIJN-IAGOWNOFSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C[C@@H](C)O1 ZINC000891698820 1170825273 /nfs/dbraw/zinc/82/52/73/1170825273.db2.gz KXZUAKWPHCQIJN-IAGOWNOFSA-N 2 2 369.554 0.763 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)([NH+]2CCOCC2)C1 ZINC000891858398 1171007299 /nfs/dbraw/zinc/00/72/99/1171007299.db2.gz PDGAYLIWELYHNL-ISXWCOSWSA-N 2 2 366.506 0.792 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001087183602 1171065925 /nfs/dbraw/zinc/06/59/25/1171065925.db2.gz YGNMLWIWGDTNNK-INMHGKMJSA-N 2 2 371.489 0.991 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC001022472824 1171251929 /nfs/dbraw/zinc/25/19/29/1171251929.db2.gz CPYICCZVBONBMI-YHUYYLMFSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC[N@H+]1C ZINC001022472824 1171251953 /nfs/dbraw/zinc/25/19/53/1171251953.db2.gz CPYICCZVBONBMI-YHUYYLMFSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022524122 1171362871 /nfs/dbraw/zinc/36/28/71/1171362871.db2.gz MOVUKUYRGSFWAW-HRCADAONSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971966240 1171469311 /nfs/dbraw/zinc/46/93/11/1171469311.db2.gz PDCGVLWRXMZYIR-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971966240 1171469316 /nfs/dbraw/zinc/46/93/16/1171469316.db2.gz PDCGVLWRXMZYIR-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083238793 1171629378 /nfs/dbraw/zinc/62/93/78/1171629378.db2.gz BFAPYWAFDVMHHG-ZWKOTPCHSA-N 2 2 356.426 0.780 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083238793 1171629381 /nfs/dbraw/zinc/62/93/81/1171629381.db2.gz BFAPYWAFDVMHHG-ZWKOTPCHSA-N 2 2 356.426 0.780 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022734408 1171835319 /nfs/dbraw/zinc/83/53/19/1171835319.db2.gz VSQGAXCVOOZGAD-LXTVHRRPSA-N 2 2 357.462 0.880 20 0 FCADLP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001022735714 1171838148 /nfs/dbraw/zinc/83/81/48/1171838148.db2.gz FFASFXUOQKYQFT-JKJDWNRSSA-N 2 2 359.474 0.770 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001022749174 1171854351 /nfs/dbraw/zinc/85/43/51/1171854351.db2.gz SGAPVRVXMZCYDW-BVIKNXMNSA-N 2 2 371.485 0.679 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001087212739 1171867225 /nfs/dbraw/zinc/86/72/25/1171867225.db2.gz OJLUNCNBZQEVOB-KFWWJZLASA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001087212739 1171867229 /nfs/dbraw/zinc/86/72/29/1171867229.db2.gz OJLUNCNBZQEVOB-KFWWJZLASA-N 2 2 364.494 0.309 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000972243217 1171879881 /nfs/dbraw/zinc/87/98/81/1171879881.db2.gz RRWMAZDICVHDKY-OWCLPIDISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000972243217 1171879885 /nfs/dbraw/zinc/87/98/85/1171879885.db2.gz RRWMAZDICVHDKY-OWCLPIDISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000972247147 1171883463 /nfs/dbraw/zinc/88/34/63/1171883463.db2.gz ZOPTZKGGUSFCGP-NVXWUHKLSA-N 2 2 359.474 0.508 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC001022842304 1172057128 /nfs/dbraw/zinc/05/71/28/1172057128.db2.gz HSIUPWGDNFHEAD-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCCCO1 ZINC000459989318 1192784042 /nfs/dbraw/zinc/78/40/42/1192784042.db2.gz KJTKCDUPJJJYSZ-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCCCO1 ZINC000459989318 1192784045 /nfs/dbraw/zinc/78/40/45/1192784045.db2.gz KJTKCDUPJJJYSZ-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088663546 1192809512 /nfs/dbraw/zinc/80/95/12/1192809512.db2.gz IHLAEDNANVCTLJ-OCCSQVGLSA-N 2 2 369.425 0.905 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088663546 1192809513 /nfs/dbraw/zinc/80/95/13/1192809513.db2.gz IHLAEDNANVCTLJ-OCCSQVGLSA-N 2 2 369.425 0.905 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC000989336603 1192811389 /nfs/dbraw/zinc/81/13/89/1192811389.db2.gz SCAMMXSBYRRCOC-JJXSEGSLSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088679146 1192818542 /nfs/dbraw/zinc/81/85/42/1192818542.db2.gz HHZNZGLAMMFPRD-PVAVHDDUSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088679146 1192818545 /nfs/dbraw/zinc/81/85/45/1192818545.db2.gz HHZNZGLAMMFPRD-PVAVHDDUSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000989482544 1192871270 /nfs/dbraw/zinc/87/12/70/1192871270.db2.gz RELZKVUQFPLFNX-WBVHZDCISA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)C[NH+](CC)CC)CC2)nc[nH+]1 ZINC000892329576 1178885389 /nfs/dbraw/zinc/88/53/89/1178885389.db2.gz BBYNLBUYGRBPEL-HNNXBMFYSA-N 2 2 364.494 0.650 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104468220 1179068444 /nfs/dbraw/zinc/06/84/44/1179068444.db2.gz POSDIRXRXSGDGH-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP NC(=O)[C@H]([NH3+])Cc1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001211591172 1179227633 /nfs/dbraw/zinc/22/76/33/1179227633.db2.gz LEUMFLXMFHWQHY-ZIAGYGMSSA-N 2 2 356.361 0.963 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000545175817 1179367782 /nfs/dbraw/zinc/36/77/82/1179367782.db2.gz XMSHUJRKUWSRAU-IEBWSBKVSA-N 2 2 362.474 0.253 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000545175817 1179367792 /nfs/dbraw/zinc/36/77/92/1179367792.db2.gz XMSHUJRKUWSRAU-IEBWSBKVSA-N 2 2 362.474 0.253 20 0 FCADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000545175817 1179367804 /nfs/dbraw/zinc/36/78/04/1179367804.db2.gz XMSHUJRKUWSRAU-IEBWSBKVSA-N 2 2 362.474 0.253 20 0 FCADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000545175817 1179367814 /nfs/dbraw/zinc/36/78/14/1179367814.db2.gz XMSHUJRKUWSRAU-IEBWSBKVSA-N 2 2 362.474 0.253 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)c1 ZINC001024128140 1180856968 /nfs/dbraw/zinc/85/69/68/1180856968.db2.gz BVASBUIURZVWIW-HZPDHXFCSA-N 2 2 371.441 0.016 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492659 1181241140 /nfs/dbraw/zinc/24/11/40/1181241140.db2.gz IYLJFUCPHNIJIG-JCURWCKSSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001024503514 1181252550 /nfs/dbraw/zinc/25/25/50/1181252550.db2.gz GBTRIWQFGZUBKE-BRWVUGGUSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001024503514 1181252556 /nfs/dbraw/zinc/25/25/56/1181252556.db2.gz GBTRIWQFGZUBKE-BRWVUGGUSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665285 1181453906 /nfs/dbraw/zinc/45/39/06/1181453906.db2.gz BVOIKNMXRLMGPA-KSZLIROESA-N 2 2 358.486 0.788 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665285 1181453912 /nfs/dbraw/zinc/45/39/12/1181453912.db2.gz BVOIKNMXRLMGPA-KSZLIROESA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665285 1181453918 /nfs/dbraw/zinc/45/39/18/1181453918.db2.gz BVOIKNMXRLMGPA-KSZLIROESA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665285 1181453921 /nfs/dbraw/zinc/45/39/21/1181453921.db2.gz BVOIKNMXRLMGPA-KSZLIROESA-N 2 2 358.486 0.788 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000972992388 1181859751 /nfs/dbraw/zinc/85/97/51/1181859751.db2.gz NAZSKSWHDRPMNM-NVXWUHKLSA-N 2 2 359.474 0.662 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994437 1181864597 /nfs/dbraw/zinc/86/45/97/1181864597.db2.gz KNUFYFWPFIIAJP-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994437 1181864598 /nfs/dbraw/zinc/86/45/98/1181864598.db2.gz KNUFYFWPFIIAJP-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP 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O=C(N[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000973310884 1182218092 /nfs/dbraw/zinc/21/80/92/1182218092.db2.gz CPHQJBIJDSBMET-QCODTGAPSA-N 2 2 357.458 0.618 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000973331593 1182232095 /nfs/dbraw/zinc/23/20/95/1182232095.db2.gz XHMGPEPPQVMSMY-VUVWGQCBSA-N 2 2 359.474 0.627 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000973331593 1182232098 /nfs/dbraw/zinc/23/20/98/1182232098.db2.gz XHMGPEPPQVMSMY-VUVWGQCBSA-N 2 2 359.474 0.627 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC000973413647 1182291586 /nfs/dbraw/zinc/29/15/86/1182291586.db2.gz WOWQTXVFSDFPGI-DNNBLBMLSA-N 2 2 371.441 0.430 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC000973413647 1182291588 /nfs/dbraw/zinc/29/15/88/1182291588.db2.gz WOWQTXVFSDFPGI-DNNBLBMLSA-N 2 2 371.441 0.430 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000973620064 1182412714 /nfs/dbraw/zinc/41/27/14/1182412714.db2.gz YECJBDSKDWGUQQ-IBWRZXHSSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000973620064 1182412724 /nfs/dbraw/zinc/41/27/24/1182412724.db2.gz YECJBDSKDWGUQQ-IBWRZXHSSA-N 2 2 359.474 0.931 20 0 FCADLP CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1OC ZINC000892750988 1182473359 /nfs/dbraw/zinc/47/33/59/1182473359.db2.gz OWZTUAIZVVPIBJ-GPMSIDNRSA-N 2 2 362.474 0.902 20 0 FCADLP CC(=O)OC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000892885882 1182560308 /nfs/dbraw/zinc/56/03/08/1182560308.db2.gz KDFOEPMDJLPWRV-GOEBONIOSA-N 2 2 363.462 0.823 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000893106825 1182875780 /nfs/dbraw/zinc/87/57/80/1182875780.db2.gz UNBGDLOBTIGMPX-HNNXBMFYSA-N 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C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)C1 ZINC000975816434 1185809846 /nfs/dbraw/zinc/80/98/46/1185809846.db2.gz QYFIHSKUQSMUHZ-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)C1 ZINC000975816434 1185809849 /nfs/dbraw/zinc/80/98/49/1185809849.db2.gz QYFIHSKUQSMUHZ-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)C1 ZINC000975826620 1185814584 /nfs/dbraw/zinc/81/45/84/1185814584.db2.gz SPUIXZMENCBRKK-BBWFWOEESA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@@H]32)C1 ZINC000975826620 1185814587 /nfs/dbraw/zinc/81/45/87/1185814587.db2.gz SPUIXZMENCBRKK-BBWFWOEESA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3cc(=O)n4[nH]ccc4n3)CC2)CC[N@@H+]1C ZINC001670783883 1186371432 /nfs/dbraw/zinc/37/14/32/1186371432.db2.gz AHRLIOLMWKFEDI-TZMCWYRMSA-N 2 2 358.446 0.101 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3cc(=O)n4[nH]ccc4n3)CC2)CC[N@H+]1C ZINC001670783883 1186371439 /nfs/dbraw/zinc/37/14/39/1186371439.db2.gz AHRLIOLMWKFEDI-TZMCWYRMSA-N 2 2 358.446 0.101 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000981439399 1186419950 /nfs/dbraw/zinc/41/99/50/1186419950.db2.gz DSCDJYJENPODDP-QZTJIDSGSA-N 2 2 363.506 0.753 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000981439399 1186419954 /nfs/dbraw/zinc/41/99/54/1186419954.db2.gz DSCDJYJENPODDP-QZTJIDSGSA-N 2 2 363.506 0.753 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000981439399 1186419957 /nfs/dbraw/zinc/41/99/57/1186419957.db2.gz DSCDJYJENPODDP-QZTJIDSGSA-N 2 2 363.506 0.753 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000981439399 1186419960 /nfs/dbraw/zinc/41/99/60/1186419960.db2.gz DSCDJYJENPODDP-QZTJIDSGSA-N 2 2 363.506 0.753 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000981685369 1186487237 /nfs/dbraw/zinc/48/72/37/1186487237.db2.gz WMIFWKLYEJHNJG-UXLLHSPISA-N 2 2 361.490 0.848 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000981685369 1186487241 /nfs/dbraw/zinc/48/72/41/1186487241.db2.gz WMIFWKLYEJHNJG-UXLLHSPISA-N 2 2 361.490 0.848 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001028145084 1186552157 /nfs/dbraw/zinc/55/21/57/1186552157.db2.gz HJVSRWNWGQSTRF-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001028145084 1186552163 /nfs/dbraw/zinc/55/21/63/1186552163.db2.gz HJVSRWNWGQSTRF-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021528 1186629389 /nfs/dbraw/zinc/62/93/89/1186629389.db2.gz GANDELRBVVBYAA-RRFJBIMHSA-N 2 2 359.474 0.583 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021528 1186629392 /nfs/dbraw/zinc/62/93/92/1186629392.db2.gz GANDELRBVVBYAA-RRFJBIMHSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4nncn4C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982283185 1186698081 /nfs/dbraw/zinc/69/80/81/1186698081.db2.gz OJLKEJPCUCPOPY-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4nncn4C)C[C@]3(C)C2)CC[N@H+]1C ZINC000982283185 1186698084 /nfs/dbraw/zinc/69/80/84/1186698084.db2.gz OJLKEJPCUCPOPY-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](Cc4nncn4C)C[C@]3(C)C2)CC[NH+]1C ZINC000982283185 1186698086 /nfs/dbraw/zinc/69/80/86/1186698086.db2.gz OJLKEJPCUCPOPY-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](Cc4nncn4C)C[C@]3(C)C2)CC[NH+]1C ZINC000982283185 1186698088 /nfs/dbraw/zinc/69/80/88/1186698088.db2.gz OJLKEJPCUCPOPY-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4cn(C)nn4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982283203 1186698172 /nfs/dbraw/zinc/69/81/72/1186698172.db2.gz OTQRIDUZSSZBNZ-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4cn(C)nn4)C[C@]3(C)C2)CC[N@H+]1C ZINC000982283203 1186698175 /nfs/dbraw/zinc/69/81/75/1186698175.db2.gz OTQRIDUZSSZBNZ-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](Cc4cn(C)nn4)C[C@]3(C)C2)CC[NH+]1C ZINC000982283203 1186698178 /nfs/dbraw/zinc/69/81/78/1186698178.db2.gz OTQRIDUZSSZBNZ-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](Cc4cn(C)nn4)C[C@]3(C)C2)CC[NH+]1C ZINC000982283203 1186698182 /nfs/dbraw/zinc/69/81/82/1186698182.db2.gz OTQRIDUZSSZBNZ-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH2+]Cc2ncnn2C)CCCC1 ZINC001481906668 1187547441 /nfs/dbraw/zinc/54/74/41/1187547441.db2.gz OVLUZTDWIJRYRS-ZIAGYGMSSA-N 2 2 357.462 0.871 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075645208 1187583276 /nfs/dbraw/zinc/58/32/76/1187583276.db2.gz SDJZVNHSHGQWLL-USXIJHARSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075645208 1187583282 /nfs/dbraw/zinc/58/32/82/1187583282.db2.gz SDJZVNHSHGQWLL-USXIJHARSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075645208 1187583285 /nfs/dbraw/zinc/58/32/85/1187583285.db2.gz SDJZVNHSHGQWLL-USXIJHARSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075645208 1187583288 /nfs/dbraw/zinc/58/32/88/1187583288.db2.gz SDJZVNHSHGQWLL-USXIJHARSA-N 2 2 360.458 0.454 20 0 FCADLP CCOC(=O)Cn1cc(C[NH2+]CCn2cc[nH+]c2)c(-c2cnn(C)c2)n1 ZINC000894148457 1187599048 /nfs/dbraw/zinc/59/90/48/1187599048.db2.gz XSFMAICSLRXITB-UHFFFAOYSA-N 2 2 357.418 0.833 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000982779266 1187643898 /nfs/dbraw/zinc/64/38/98/1187643898.db2.gz QEZBRWDUJBYRCV-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462905 1187648260 /nfs/dbraw/zinc/64/82/60/1187648260.db2.gz FXAVGRFZQRFLAB-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462905 1187648264 /nfs/dbraw/zinc/64/82/64/1187648264.db2.gz FXAVGRFZQRFLAB-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462905 1187648268 /nfs/dbraw/zinc/64/82/68/1187648268.db2.gz FXAVGRFZQRFLAB-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462905 1187648271 /nfs/dbraw/zinc/64/82/71/1187648271.db2.gz FXAVGRFZQRFLAB-KZNAEPCWSA-N 2 2 365.449 0.423 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368583 1187689946 /nfs/dbraw/zinc/68/99/46/1187689946.db2.gz QSBVPDKSPQZXFP-QRVBRYPASA-N 2 2 354.454 0.990 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368583 1187689950 /nfs/dbraw/zinc/68/99/50/1187689950.db2.gz QSBVPDKSPQZXFP-QRVBRYPASA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368583 1187689954 /nfs/dbraw/zinc/68/99/54/1187689954.db2.gz QSBVPDKSPQZXFP-QRVBRYPASA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368583 1187689959 /nfs/dbraw/zinc/68/99/59/1187689959.db2.gz QSBVPDKSPQZXFP-QRVBRYPASA-N 2 2 354.454 0.990 20 0 FCADLP CC(C)n1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628876 1187757043 /nfs/dbraw/zinc/75/70/43/1187757043.db2.gz BAIHXTIZORNZEV-OWCLPIDISA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1ncnc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628876 1187757046 /nfs/dbraw/zinc/75/70/46/1187757046.db2.gz BAIHXTIZORNZEV-OWCLPIDISA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1ncnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628876 1187757054 /nfs/dbraw/zinc/75/70/54/1187757054.db2.gz BAIHXTIZORNZEV-OWCLPIDISA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1ncnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628876 1187757060 /nfs/dbraw/zinc/75/70/60/1187757060.db2.gz BAIHXTIZORNZEV-OWCLPIDISA-N 2 2 364.494 0.516 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001691505212 1187847043 /nfs/dbraw/zinc/84/70/43/1187847043.db2.gz ZBTILKYMEIEXCS-YESZJQIVSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001691505212 1187847046 /nfs/dbraw/zinc/84/70/46/1187847046.db2.gz ZBTILKYMEIEXCS-YESZJQIVSA-N 2 2 368.522 0.593 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(=O)N2CCC2)CCCC1 ZINC001482230280 1187855853 /nfs/dbraw/zinc/85/58/53/1187855853.db2.gz OPLHGTYIPWDLSE-HUUCEWRRSA-N 2 2 359.474 0.775 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813703 1187915259 /nfs/dbraw/zinc/91/52/59/1187915259.db2.gz MRQGPJHUFWWUJS-GVDBMIGSSA-N 2 2 369.469 0.861 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001028813703 1187915263 /nfs/dbraw/zinc/91/52/63/1187915263.db2.gz MRQGPJHUFWWUJS-GVDBMIGSSA-N 2 2 369.469 0.861 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)c[nH+]1 ZINC001270125106 1188021680 /nfs/dbraw/zinc/02/16/80/1188021680.db2.gz XFWHNCLEQKHPCQ-HZPDHXFCSA-N 2 2 361.490 0.782 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075742405 1188056582 /nfs/dbraw/zinc/05/65/82/1188056582.db2.gz YBKWOGJHXNYDNV-ARFHVFGLSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075742405 1188056584 /nfs/dbraw/zinc/05/65/84/1188056584.db2.gz YBKWOGJHXNYDNV-ARFHVFGLSA-N 2 2 358.446 0.133 20 0 FCADLP C[N@@H+]1CCN(C(=O)c2ccc3[nH]c(N)[nH+]c3c2)C[C@]2(CCCC(=O)N2)C1 ZINC001270272377 1188073002 /nfs/dbraw/zinc/07/30/02/1188073002.db2.gz NCIVYGIVVSPFFZ-SFHVURJKSA-N 2 2 356.430 0.572 20 0 FCADLP C[N@H+]1CCN(C(=O)c2ccc3[nH]c(N)[nH+]c3c2)C[C@]2(CCCC(=O)N2)C1 ZINC001270272377 1188073012 /nfs/dbraw/zinc/07/30/12/1188073012.db2.gz NCIVYGIVVSPFFZ-SFHVURJKSA-N 2 2 356.430 0.572 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001270272713 1188074135 /nfs/dbraw/zinc/07/41/35/1188074135.db2.gz RHRNCPZKOJGSNH-OKILXGFUSA-N 2 2 358.446 0.232 20 0 FCADLP C[C@H](C(=O)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O)[NH+]1CCCC1 ZINC001270488181 1188169191 /nfs/dbraw/zinc/16/91/91/1188169191.db2.gz AJEXQTXTZNADGN-VQIMIIECSA-N 2 2 359.474 0.961 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@@H+]([C@H]5CCNC5=O)C[C@H]43)ccn12 ZINC001075791592 1188389112 /nfs/dbraw/zinc/38/91/12/1188389112.db2.gz VOGDTVHYJLFLGY-HRCADAONSA-N 2 2 353.426 0.678 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@H+]([C@H]5CCNC5=O)C[C@H]43)ccn12 ZINC001075791592 1188389115 /nfs/dbraw/zinc/38/91/15/1188389115.db2.gz VOGDTVHYJLFLGY-HRCADAONSA-N 2 2 353.426 0.678 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1nc(C)nc1C ZINC001087529637 1189384271 /nfs/dbraw/zinc/38/42/71/1189384271.db2.gz OCAGEGAETNKVCI-BBWFWOEESA-N 2 2 364.494 0.195 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1nc(C)nc1C ZINC001087529637 1189384278 /nfs/dbraw/zinc/38/42/78/1189384278.db2.gz OCAGEGAETNKVCI-BBWFWOEESA-N 2 2 364.494 0.195 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1nc(C)nc1C ZINC001087529637 1189384289 /nfs/dbraw/zinc/38/42/89/1189384289.db2.gz OCAGEGAETNKVCI-BBWFWOEESA-N 2 2 364.494 0.195 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087700525 1189776168 /nfs/dbraw/zinc/77/61/68/1189776168.db2.gz OYRWKMKYAMPWMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087700525 1189776189 /nfs/dbraw/zinc/77/61/89/1189776189.db2.gz OYRWKMKYAMPWMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N1CCC1 ZINC001087700525 1189776204 /nfs/dbraw/zinc/77/62/04/1189776204.db2.gz OYRWKMKYAMPWMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N1CCC1 ZINC001087700525 1189776216 /nfs/dbraw/zinc/77/62/16/1189776216.db2.gz OYRWKMKYAMPWMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1nonc1C ZINC001087700526 1189777706 /nfs/dbraw/zinc/77/77/06/1189777706.db2.gz OZOGUFHZAWGOJF-UAGQMJEPSA-N 2 2 365.478 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1nonc1C ZINC001087700526 1189777719 /nfs/dbraw/zinc/77/77/19/1189777719.db2.gz OZOGUFHZAWGOJF-UAGQMJEPSA-N 2 2 365.478 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1nonc1C ZINC001087700526 1189777739 /nfs/dbraw/zinc/77/77/39/1189777739.db2.gz OZOGUFHZAWGOJF-UAGQMJEPSA-N 2 2 365.478 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1nonc1C ZINC001087700526 1189777760 /nfs/dbraw/zinc/77/77/60/1189777760.db2.gz OZOGUFHZAWGOJF-UAGQMJEPSA-N 2 2 365.478 0.956 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)O1 ZINC000984344280 1189819116 /nfs/dbraw/zinc/81/91/16/1189819116.db2.gz IVERZDSMWAKPGX-BZUAXINKSA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)O1 ZINC000984344280 1189819117 /nfs/dbraw/zinc/81/91/17/1189819117.db2.gz IVERZDSMWAKPGX-BZUAXINKSA-N 2 2 363.462 0.052 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCN1CCCC1=O ZINC001087797569 1189828224 /nfs/dbraw/zinc/82/82/24/1189828224.db2.gz WZCRXLJRRGKPRE-DLBZAZTESA-N 2 2 361.490 0.944 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCN1CCCC1=O ZINC001087797569 1189828225 /nfs/dbraw/zinc/82/82/25/1189828225.db2.gz WZCRXLJRRGKPRE-DLBZAZTESA-N 2 2 361.490 0.944 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cc(C)ncn1 ZINC001087836717 1189845394 /nfs/dbraw/zinc/84/53/94/1189845394.db2.gz FRYBFAUKWHIWCZ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cc(C)ncn1 ZINC001087836717 1189845395 /nfs/dbraw/zinc/84/53/95/1189845395.db2.gz FRYBFAUKWHIWCZ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cc(C)ncn1 ZINC001087836717 1189845396 /nfs/dbraw/zinc/84/53/96/1189845396.db2.gz FRYBFAUKWHIWCZ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cc(C)ncn1 ZINC001087836717 1189845401 /nfs/dbraw/zinc/84/54/01/1189845401.db2.gz FRYBFAUKWHIWCZ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1nccnc1C ZINC001087837224 1189845617 /nfs/dbraw/zinc/84/56/17/1189845617.db2.gz ZQBSYYLCJJKFRV-JQHSSLGASA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1nccnc1C ZINC001087837224 1189845619 /nfs/dbraw/zinc/84/56/19/1189845619.db2.gz ZQBSYYLCJJKFRV-JQHSSLGASA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1nccnc1C ZINC001087837224 1189845621 /nfs/dbraw/zinc/84/56/21/1189845621.db2.gz ZQBSYYLCJJKFRV-JQHSSLGASA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1nccnc1C ZINC001087837224 1189845625 /nfs/dbraw/zinc/84/56/25/1189845625.db2.gz ZQBSYYLCJJKFRV-JQHSSLGASA-N 2 2 361.490 0.975 20 0 FCADLP COC(=O)CN1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000895687885 1189874896 /nfs/dbraw/zinc/87/48/96/1189874896.db2.gz GBAJVDQTMIVXIX-SFHVURJKSA-N 2 2 368.522 0.010 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000896230671 1190014558 /nfs/dbraw/zinc/01/45/58/1190014558.db2.gz RUGPBQNQHTWGRP-INIZCTEOSA-N 2 2 374.489 0.266 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)n1 ZINC001087993461 1190143938 /nfs/dbraw/zinc/14/39/38/1190143938.db2.gz PITYSFFSCPVMSY-SOLBZPMBSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)n1 ZINC001087993461 1190143941 /nfs/dbraw/zinc/14/39/41/1190143941.db2.gz PITYSFFSCPVMSY-SOLBZPMBSA-N 2 2 360.506 0.919 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999434 1190168819 /nfs/dbraw/zinc/16/88/19/1190168819.db2.gz LLDYGPBHCBLPJD-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999434 1190168824 /nfs/dbraw/zinc/16/88/24/1190168824.db2.gz LLDYGPBHCBLPJD-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999434 1190168825 /nfs/dbraw/zinc/16/88/25/1190168825.db2.gz LLDYGPBHCBLPJD-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999434 1190168827 /nfs/dbraw/zinc/16/88/27/1190168827.db2.gz LLDYGPBHCBLPJD-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP Cc1conc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011364 1190211344 /nfs/dbraw/zinc/21/13/44/1190211344.db2.gz JYKGLJSQEZEOOG-XLMAVXFVSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1conc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011364 1190211346 /nfs/dbraw/zinc/21/13/46/1190211346.db2.gz JYKGLJSQEZEOOG-XLMAVXFVSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1conc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011364 1190211347 /nfs/dbraw/zinc/21/13/47/1190211347.db2.gz JYKGLJSQEZEOOG-XLMAVXFVSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1conc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011364 1190211349 /nfs/dbraw/zinc/21/13/49/1190211349.db2.gz JYKGLJSQEZEOOG-XLMAVXFVSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088011434 1190211521 /nfs/dbraw/zinc/21/15/21/1190211521.db2.gz MVHJRENNFWFYNC-VXIBKDFQSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088011434 1190211526 /nfs/dbraw/zinc/21/15/26/1190211526.db2.gz MVHJRENNFWFYNC-VXIBKDFQSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088011434 1190211529 /nfs/dbraw/zinc/21/15/29/1190211529.db2.gz MVHJRENNFWFYNC-VXIBKDFQSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088011434 1190211532 /nfs/dbraw/zinc/21/15/32/1190211532.db2.gz MVHJRENNFWFYNC-VXIBKDFQSA-N 2 2 373.501 0.784 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000984900010 1190237950 /nfs/dbraw/zinc/23/79/50/1190237950.db2.gz OVANWWYHEOPEKM-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000984900010 1190237958 /nfs/dbraw/zinc/23/79/58/1190237958.db2.gz OVANWWYHEOPEKM-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088063950 1190340065 /nfs/dbraw/zinc/34/00/65/1190340065.db2.gz DMDHMBXPKAJTGP-CVEARBPZSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088063950 1190340072 /nfs/dbraw/zinc/34/00/72/1190340072.db2.gz DMDHMBXPKAJTGP-CVEARBPZSA-N 2 2 360.506 0.970 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121781 1190617887 /nfs/dbraw/zinc/61/78/87/1190617887.db2.gz XYKVKLFLCJYVLP-IJEWVQPXSA-N 2 2 355.446 0.512 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088121781 1190617896 /nfs/dbraw/zinc/61/78/96/1190617896.db2.gz XYKVKLFLCJYVLP-IJEWVQPXSA-N 2 2 355.446 0.512 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000985162479 1190656080 /nfs/dbraw/zinc/65/60/80/1190656080.db2.gz NBJVMNOQGDLCEF-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000985162479 1190656083 /nfs/dbraw/zinc/65/60/83/1190656083.db2.gz NBJVMNOQGDLCEF-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985166630 1190660350 /nfs/dbraw/zinc/66/03/50/1190660350.db2.gz KZEZBRUZHSNLHL-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985166630 1190660360 /nfs/dbraw/zinc/66/03/60/1190660360.db2.gz KZEZBRUZHSNLHL-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276756111 1224108145 /nfs/dbraw/zinc/10/81/45/1224108145.db2.gz IENRRNYFYXGBLF-IBGZPJMESA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276756111 1224108147 /nfs/dbraw/zinc/10/81/47/1224108147.db2.gz IENRRNYFYXGBLF-IBGZPJMESA-N 2 2 366.506 0.156 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756177 1224108647 /nfs/dbraw/zinc/10/86/47/1224108647.db2.gz JRZFKGMIHAPFEI-IBGZPJMESA-N 2 2 364.490 0.400 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756177 1224108649 /nfs/dbraw/zinc/10/86/49/1224108649.db2.gz JRZFKGMIHAPFEI-IBGZPJMESA-N 2 2 364.490 0.400 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756512 1224112070 /nfs/dbraw/zinc/11/20/70/1224112070.db2.gz STYBGBRHZUHGSL-KUHUBIRLSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756512 1224112073 /nfs/dbraw/zinc/11/20/73/1224112073.db2.gz STYBGBRHZUHGSL-KUHUBIRLSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756510 1224112087 /nfs/dbraw/zinc/11/20/87/1224112087.db2.gz STYBGBRHZUHGSL-AUUYWEPGSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756510 1224112089 /nfs/dbraw/zinc/11/20/89/1224112089.db2.gz STYBGBRHZUHGSL-AUUYWEPGSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756513 1224112306 /nfs/dbraw/zinc/11/23/06/1224112306.db2.gz STYBGBRHZUHGSL-LIRRHRJNSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756513 1224112307 /nfs/dbraw/zinc/11/23/07/1224112307.db2.gz STYBGBRHZUHGSL-LIRRHRJNSA-N 2 2 362.474 0.200 20 0 FCADLP C[C@H]1C[C@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CCO1 ZINC001168128325 1190868204 /nfs/dbraw/zinc/86/82/04/1190868204.db2.gz PLSOVPPWEDMQSL-LSDHHAIUSA-N 2 2 372.473 0.972 20 0 FCADLP C[C@H]1C[C@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CCO1 ZINC001168128325 1190868206 /nfs/dbraw/zinc/86/82/06/1190868206.db2.gz PLSOVPPWEDMQSL-LSDHHAIUSA-N 2 2 372.473 0.972 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1)[NH+](C)C ZINC000986262918 1190938276 /nfs/dbraw/zinc/93/82/76/1190938276.db2.gz RFXXMMZSPZTNPF-VKJFTORMSA-N 2 2 361.490 0.845 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1)C1CCC1 ZINC000986283049 1190944654 /nfs/dbraw/zinc/94/46/54/1190944654.db2.gz LMQRYIZTMGAEIM-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1)C1CCC1 ZINC000986283049 1190944657 /nfs/dbraw/zinc/94/46/57/1190944657.db2.gz LMQRYIZTMGAEIM-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986332222 1190957726 /nfs/dbraw/zinc/95/77/26/1190957726.db2.gz DUUSWBZZLRNUAV-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986332222 1190957729 /nfs/dbraw/zinc/95/77/29/1190957729.db2.gz DUUSWBZZLRNUAV-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000986417921 1190983663 /nfs/dbraw/zinc/98/36/63/1190983663.db2.gz CQSZSCNAZCFDOD-CVEARBPZSA-N 2 2 359.474 0.365 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986438656 1190994784 /nfs/dbraw/zinc/99/47/84/1190994784.db2.gz ZEHAFTAJMIVVHQ-SJORKVTESA-N 2 2 371.485 0.676 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000986464743 1190996420 /nfs/dbraw/zinc/99/64/20/1190996420.db2.gz BVOZTYRXFIXWBY-PMPSAXMXSA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000986464743 1190996423 /nfs/dbraw/zinc/99/64/23/1190996423.db2.gz BVOZTYRXFIXWBY-PMPSAXMXSA-N 2 2 359.474 0.519 20 0 FCADLP CN1CC[C@H]([N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001029970581 1191049978 /nfs/dbraw/zinc/04/99/78/1191049978.db2.gz HSLXPJZHGSKFMG-INMHGKMJSA-N 2 2 359.474 0.914 20 0 FCADLP CN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001029970581 1191049981 /nfs/dbraw/zinc/04/99/81/1191049981.db2.gz HSLXPJZHGSKFMG-INMHGKMJSA-N 2 2 359.474 0.914 20 0 FCADLP CN1CC[C@H]([N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC001029970581 1191049984 /nfs/dbraw/zinc/04/99/84/1191049984.db2.gz HSLXPJZHGSKFMG-INMHGKMJSA-N 2 2 359.474 0.914 20 0 FCADLP CN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1=O ZINC001029970581 1191049989 /nfs/dbraw/zinc/04/99/89/1191049989.db2.gz HSLXPJZHGSKFMG-INMHGKMJSA-N 2 2 359.474 0.914 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC001276760796 1224125604 /nfs/dbraw/zinc/12/56/04/1224125604.db2.gz AMXXYVLNDUCKDY-SFHVURJKSA-N 2 2 359.430 0.040 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](CC(=O)NC3CC3)C2)C1=O ZINC001276760796 1224125606 /nfs/dbraw/zinc/12/56/06/1224125606.db2.gz AMXXYVLNDUCKDY-SFHVURJKSA-N 2 2 359.430 0.040 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000988110524 1191150735 /nfs/dbraw/zinc/15/07/35/1191150735.db2.gz RCUHYHHMRMHLLJ-UNEWFSDZSA-N 2 2 370.457 0.756 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988199755 1191161887 /nfs/dbraw/zinc/16/18/87/1191161887.db2.gz WKDKOLOXOWSIEB-BMFZPTHFSA-N 2 2 359.474 0.790 20 0 FCADLP COC(=O)[C@H](Cc1ccc(OC2C[NH+](C)C2)cc1)NC(=O)[C@@H]([NH3+])C(C)C ZINC001217965527 1224133818 /nfs/dbraw/zinc/13/38/18/1224133818.db2.gz SNJUTKRIUQNKSA-IRXDYDNUSA-N 2 2 363.458 0.563 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C)cn1 ZINC001088574588 1191213453 /nfs/dbraw/zinc/21/34/53/1191213453.db2.gz DGEIKGLBEPJONR-PBHICJAKSA-N 2 2 371.489 0.936 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C)cn1 ZINC001088574588 1191213455 /nfs/dbraw/zinc/21/34/55/1191213455.db2.gz DGEIKGLBEPJONR-PBHICJAKSA-N 2 2 371.489 0.936 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001088574702 1191213955 /nfs/dbraw/zinc/21/39/55/1191213955.db2.gz LIYWDQYGUOFODJ-ZBFHGGJFSA-N 2 2 359.478 0.571 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1ccn(C)n1 ZINC001088574702 1191213958 /nfs/dbraw/zinc/21/39/58/1191213958.db2.gz LIYWDQYGUOFODJ-ZBFHGGJFSA-N 2 2 359.478 0.571 20 0 FCADLP COC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(O[C@@H]3C[C@H]4C[NH2+]CCN4C3)cc12 ZINC001218107994 1224140551 /nfs/dbraw/zinc/14/05/51/1224140551.db2.gz XZQAYPNXJPTLJP-YSVLISHTSA-N 2 2 358.442 0.636 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218188633 1224146560 /nfs/dbraw/zinc/14/65/60/1224146560.db2.gz SPDMJUMUYQFALD-YESZJQIVSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218188633 1224146562 /nfs/dbraw/zinc/14/65/62/1224146562.db2.gz SPDMJUMUYQFALD-YESZJQIVSA-N 2 2 362.474 0.784 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000550756400 1193760462 /nfs/dbraw/zinc/76/04/62/1193760462.db2.gz KTVHNRTTZHHAPB-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000550756400 1193760466 /nfs/dbraw/zinc/76/04/66/1193760466.db2.gz KTVHNRTTZHHAPB-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550955181 1193822200 /nfs/dbraw/zinc/82/22/00/1193822200.db2.gz BULNZBLGXQUUOI-RDJZCZTQSA-N 2 2 373.501 0.821 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550955181 1193822201 /nfs/dbraw/zinc/82/22/01/1193822201.db2.gz BULNZBLGXQUUOI-RDJZCZTQSA-N 2 2 373.501 0.821 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550957451 1193822610 /nfs/dbraw/zinc/82/26/10/1193822610.db2.gz VUWALXYQZMMQOO-INIZCTEOSA-N 2 2 361.490 0.821 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000551036392 1193828922 /nfs/dbraw/zinc/82/89/22/1193828922.db2.gz UCDMWJVDCMKFLL-RDJZCZTQSA-N 2 2 357.458 0.677 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105622886 1193841485 /nfs/dbraw/zinc/84/14/85/1193841485.db2.gz JSYUOJJXCXYEGB-LTDCPUDJSA-N 2 2 364.490 0.691 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000551286485 1193848366 /nfs/dbraw/zinc/84/83/66/1193848366.db2.gz OURQBMXUZIRHDW-UHFFFAOYSA-N 2 2 366.506 0.158 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105646018 1193853487 /nfs/dbraw/zinc/85/34/87/1193853487.db2.gz GWONLVBXJAGPOG-PSBWJHGTSA-N 2 2 364.490 0.886 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001060042466 1193877999 /nfs/dbraw/zinc/87/79/99/1193877999.db2.gz UNQJYCYSSYCJHL-OWCLPIDISA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001060042466 1193878000 /nfs/dbraw/zinc/87/80/00/1193878000.db2.gz UNQJYCYSSYCJHL-OWCLPIDISA-N 2 2 361.490 0.956 20 0 FCADLP COc1coc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)cc1=O ZINC001088750657 1193883735 /nfs/dbraw/zinc/88/37/35/1193883735.db2.gz ZMYCYVIPOQYPIY-HIFRSBDPSA-N 2 2 360.414 0.933 20 0 FCADLP COc1coc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)cc1=O ZINC001088750657 1193883737 /nfs/dbraw/zinc/88/37/37/1193883737.db2.gz ZMYCYVIPOQYPIY-HIFRSBDPSA-N 2 2 360.414 0.933 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475064 1193908174 /nfs/dbraw/zinc/90/81/74/1193908174.db2.gz PPXPOQLSMITMDN-SVGFKBNWSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475064 1193908182 /nfs/dbraw/zinc/90/81/82/1193908182.db2.gz PPXPOQLSMITMDN-SVGFKBNWSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475064 1193908188 /nfs/dbraw/zinc/90/81/88/1193908188.db2.gz PPXPOQLSMITMDN-SVGFKBNWSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475064 1193908195 /nfs/dbraw/zinc/90/81/95/1193908195.db2.gz PPXPOQLSMITMDN-SVGFKBNWSA-N 2 2 364.490 0.937 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218599654 1224180474 /nfs/dbraw/zinc/18/04/74/1224180474.db2.gz DCPLVXJVRQPFTJ-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218599654 1224180478 /nfs/dbraw/zinc/18/04/78/1224180478.db2.gz DCPLVXJVRQPFTJ-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000553256011 1193982265 /nfs/dbraw/zinc/98/22/65/1193982265.db2.gz UBXPCXVARNIGRH-INIZCTEOSA-N 2 2 369.473 0.564 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553343940 1193990399 /nfs/dbraw/zinc/99/03/99/1193990399.db2.gz ZPRCXNHIPFJTCM-RDJZCZTQSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553343940 1193990401 /nfs/dbraw/zinc/99/04/01/1193990401.db2.gz ZPRCXNHIPFJTCM-RDJZCZTQSA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001142583901 1194049692 /nfs/dbraw/zinc/04/96/92/1194049692.db2.gz ATNOITXTFXVPKT-UHFFFAOYSA-N 2 2 358.446 0.561 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001142583901 1194049695 /nfs/dbraw/zinc/04/96/95/1194049695.db2.gz ATNOITXTFXVPKT-UHFFFAOYSA-N 2 2 358.446 0.561 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521703 1194136301 /nfs/dbraw/zinc/13/63/01/1194136301.db2.gz DPJNBIWMKLPGHG-QGTPRVQTSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521703 1194136310 /nfs/dbraw/zinc/13/63/10/1194136310.db2.gz DPJNBIWMKLPGHG-QGTPRVQTSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521703 1194136321 /nfs/dbraw/zinc/13/63/21/1194136321.db2.gz DPJNBIWMKLPGHG-QGTPRVQTSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521703 1194136327 /nfs/dbraw/zinc/13/63/27/1194136327.db2.gz DPJNBIWMKLPGHG-QGTPRVQTSA-N 2 2 364.490 0.876 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242509 1194369209 /nfs/dbraw/zinc/36/92/09/1194369209.db2.gz HMLHCEVTCVKMFJ-XYJFISCASA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242509 1194369215 /nfs/dbraw/zinc/36/92/15/1194369215.db2.gz HMLHCEVTCVKMFJ-XYJFISCASA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242509 1194369220 /nfs/dbraw/zinc/36/92/20/1194369220.db2.gz HMLHCEVTCVKMFJ-XYJFISCASA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242509 1194369227 /nfs/dbraw/zinc/36/92/27/1194369227.db2.gz HMLHCEVTCVKMFJ-XYJFISCASA-N 2 2 362.518 0.920 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076243650 1194371072 /nfs/dbraw/zinc/37/10/72/1194371072.db2.gz BEDDXJPJICOOBV-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076243650 1194371080 /nfs/dbraw/zinc/37/10/80/1194371080.db2.gz BEDDXJPJICOOBV-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076243650 1194371086 /nfs/dbraw/zinc/37/10/86/1194371086.db2.gz BEDDXJPJICOOBV-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076243650 1194371093 /nfs/dbraw/zinc/37/10/93/1194371093.db2.gz BEDDXJPJICOOBV-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP NC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC001076295657 1194387563 /nfs/dbraw/zinc/38/75/63/1194387563.db2.gz QVPAXDUAHLYUCA-DOTOQJQBSA-N 2 2 353.426 0.784 20 0 FCADLP NC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC001076295657 1194387571 /nfs/dbraw/zinc/38/75/71/1194387571.db2.gz QVPAXDUAHLYUCA-DOTOQJQBSA-N 2 2 353.426 0.784 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001076365696 1194420668 /nfs/dbraw/zinc/42/06/68/1194420668.db2.gz JWUJBSAOKSRGGR-FUHWJXTLSA-N 2 2 362.449 0.976 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@H]21 ZINC001076365696 1194420675 /nfs/dbraw/zinc/42/06/75/1194420675.db2.gz JWUJBSAOKSRGGR-FUHWJXTLSA-N 2 2 362.449 0.976 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789514 1224222277 /nfs/dbraw/zinc/22/22/77/1224222277.db2.gz LPBPGNWFWYQFBC-ZWKOTPCHSA-N 2 2 369.506 0.437 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789514 1224222290 /nfs/dbraw/zinc/22/22/90/1224222290.db2.gz LPBPGNWFWYQFBC-ZWKOTPCHSA-N 2 2 369.506 0.437 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)no1 ZINC001076576445 1194582548 /nfs/dbraw/zinc/58/25/48/1194582548.db2.gz LNEQDWGFQCILPX-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)no1 ZINC001076576445 1194582553 /nfs/dbraw/zinc/58/25/53/1194582553.db2.gz LNEQDWGFQCILPX-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001276795694 1224226613 /nfs/dbraw/zinc/22/66/13/1224226613.db2.gz PBDYSUBLLYADFK-QAPCUYQASA-N 2 2 366.462 0.227 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001276795694 1224226627 /nfs/dbraw/zinc/22/66/27/1224226627.db2.gz PBDYSUBLLYADFK-QAPCUYQASA-N 2 2 366.462 0.227 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218819889 1224231833 /nfs/dbraw/zinc/23/18/33/1224231833.db2.gz QNGNVBFRUMGCCV-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218819889 1224231845 /nfs/dbraw/zinc/23/18/45/1224231845.db2.gz QNGNVBFRUMGCCV-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)cc2)CC1 ZINC001218845848 1224238679 /nfs/dbraw/zinc/23/86/79/1224238679.db2.gz KORKGUBXOVPTSN-SFHVURJKSA-N 2 2 373.501 0.093 20 0 FCADLP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001076805686 1195025293 /nfs/dbraw/zinc/02/52/93/1195025293.db2.gz QLICPROQQOJVGF-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805686 1195025298 /nfs/dbraw/zinc/02/52/98/1195025298.db2.gz QLICPROQQOJVGF-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805686 1195025300 /nfs/dbraw/zinc/02/53/00/1195025300.db2.gz QLICPROQQOJVGF-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805686 1195025303 /nfs/dbraw/zinc/02/53/03/1195025303.db2.gz QLICPROQQOJVGF-KZNAEPCWSA-N 2 2 361.486 0.938 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@H]21 ZINC001218912104 1224254941 /nfs/dbraw/zinc/25/49/41/1224254941.db2.gz POFNXQPJBKHEHU-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@@H]21 ZINC001218912104 1224254950 /nfs/dbraw/zinc/25/49/50/1224254950.db2.gz POFNXQPJBKHEHU-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@@H]21 ZINC001218912104 1224254956 /nfs/dbraw/zinc/25/49/56/1224254956.db2.gz POFNXQPJBKHEHU-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@@H]21 ZINC001218912104 1224254964 /nfs/dbraw/zinc/25/49/64/1224254964.db2.gz POFNXQPJBKHEHU-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001076805659 1195025610 /nfs/dbraw/zinc/02/56/10/1195025610.db2.gz PQHBIRDYBRHRQB-CEXWTWQISA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805659 1195025616 /nfs/dbraw/zinc/02/56/16/1195025616.db2.gz PQHBIRDYBRHRQB-CEXWTWQISA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805659 1195025620 /nfs/dbraw/zinc/02/56/20/1195025620.db2.gz PQHBIRDYBRHRQB-CEXWTWQISA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805659 1195025625 /nfs/dbraw/zinc/02/56/25/1195025625.db2.gz PQHBIRDYBRHRQB-CEXWTWQISA-N 2 2 361.486 0.938 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839017 1195045456 /nfs/dbraw/zinc/04/54/56/1195045456.db2.gz XFOZGGAWILGQLM-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839017 1195045460 /nfs/dbraw/zinc/04/54/60/1195045460.db2.gz XFOZGGAWILGQLM-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839017 1195045464 /nfs/dbraw/zinc/04/54/64/1195045464.db2.gz XFOZGGAWILGQLM-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]2O)C1 ZINC001076839017 1195045466 /nfs/dbraw/zinc/04/54/66/1195045466.db2.gz XFOZGGAWILGQLM-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077027792 1195156974 /nfs/dbraw/zinc/15/69/74/1195156974.db2.gz PPXPOQLSMITMDN-RKTXRCNFSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077027792 1195156980 /nfs/dbraw/zinc/15/69/80/1195156980.db2.gz PPXPOQLSMITMDN-RKTXRCNFSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077027792 1195156986 /nfs/dbraw/zinc/15/69/86/1195156986.db2.gz PPXPOQLSMITMDN-RKTXRCNFSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077027792 1195156994 /nfs/dbraw/zinc/15/69/94/1195156994.db2.gz PPXPOQLSMITMDN-RKTXRCNFSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001077023830 1195159690 /nfs/dbraw/zinc/15/96/90/1195159690.db2.gz VFQGVWGRRAKUFG-KLHDSHLOSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001077023830 1195159693 /nfs/dbraw/zinc/15/96/93/1195159693.db2.gz VFQGVWGRRAKUFG-KLHDSHLOSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001077023830 1195159695 /nfs/dbraw/zinc/15/96/95/1195159695.db2.gz VFQGVWGRRAKUFG-KLHDSHLOSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001077023830 1195159697 /nfs/dbraw/zinc/15/96/97/1195159697.db2.gz VFQGVWGRRAKUFG-KLHDSHLOSA-N 2 2 364.490 0.937 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O ZINC001077034162 1195167232 /nfs/dbraw/zinc/16/72/32/1195167232.db2.gz LBFWYBHXBPBWPE-IAGOWNOFSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001077034162 1195167236 /nfs/dbraw/zinc/16/72/36/1195167236.db2.gz LBFWYBHXBPBWPE-IAGOWNOFSA-N 2 2 362.474 0.350 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563475 1195222393 /nfs/dbraw/zinc/22/23/93/1195222393.db2.gz RGODYCVZSXBPDE-OIISXLGYSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563475 1195222400 /nfs/dbraw/zinc/22/24/00/1195222400.db2.gz RGODYCVZSXBPDE-OIISXLGYSA-N 2 2 359.474 0.575 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)ncn1 ZINC001077127589 1195241508 /nfs/dbraw/zinc/24/15/08/1195241508.db2.gz ASVAQKWHQGNOAM-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)ncn1 ZINC001077127589 1195241513 /nfs/dbraw/zinc/24/15/13/1195241513.db2.gz ASVAQKWHQGNOAM-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)ncn1 ZINC001077127589 1195241521 /nfs/dbraw/zinc/24/15/21/1195241521.db2.gz ASVAQKWHQGNOAM-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)ncn1 ZINC001077127589 1195241527 /nfs/dbraw/zinc/24/15/27/1195241527.db2.gz ASVAQKWHQGNOAM-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)ncn1 ZINC001077127590 1195241602 /nfs/dbraw/zinc/24/16/02/1195241602.db2.gz ASVAQKWHQGNOAM-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)ncn1 ZINC001077127590 1195241607 /nfs/dbraw/zinc/24/16/07/1195241607.db2.gz ASVAQKWHQGNOAM-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)ncn1 ZINC001077127590 1195241612 /nfs/dbraw/zinc/24/16/12/1195241612.db2.gz ASVAQKWHQGNOAM-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)ncn1 ZINC001077127590 1195241615 /nfs/dbraw/zinc/24/16/15/1195241615.db2.gz ASVAQKWHQGNOAM-KBAYOESNSA-N 2 2 361.490 0.424 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237267 1195339262 /nfs/dbraw/zinc/33/92/62/1195339262.db2.gz DPAQBQJUDHGXRM-GUDVDZBRSA-N 2 2 359.470 0.862 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237267 1195339269 /nfs/dbraw/zinc/33/92/69/1195339269.db2.gz DPAQBQJUDHGXRM-GUDVDZBRSA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237267 1195339274 /nfs/dbraw/zinc/33/92/74/1195339274.db2.gz DPAQBQJUDHGXRM-GUDVDZBRSA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077237267 1195339279 /nfs/dbraw/zinc/33/92/79/1195339279.db2.gz DPAQBQJUDHGXRM-GUDVDZBRSA-N 2 2 359.470 0.862 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237856 1195339837 /nfs/dbraw/zinc/33/98/37/1195339837.db2.gz SDTASPWENMMIBF-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237856 1195339844 /nfs/dbraw/zinc/33/98/44/1195339844.db2.gz SDTASPWENMMIBF-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001077237856 1195339850 /nfs/dbraw/zinc/33/98/50/1195339850.db2.gz SDTASPWENMMIBF-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236357 1195343832 /nfs/dbraw/zinc/34/38/32/1195343832.db2.gz JLAFZJISDNHNOF-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236357 1195343836 /nfs/dbraw/zinc/34/38/36/1195343836.db2.gz JLAFZJISDNHNOF-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236357 1195343840 /nfs/dbraw/zinc/34/38/40/1195343840.db2.gz JLAFZJISDNHNOF-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236357 1195343846 /nfs/dbraw/zinc/34/38/46/1195343846.db2.gz JLAFZJISDNHNOF-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236036 1195344354 /nfs/dbraw/zinc/34/43/54/1195344354.db2.gz CTDAKUBSBGUCMJ-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236036 1195344357 /nfs/dbraw/zinc/34/43/57/1195344357.db2.gz CTDAKUBSBGUCMJ-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236036 1195344360 /nfs/dbraw/zinc/34/43/60/1195344360.db2.gz CTDAKUBSBGUCMJ-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077236036 1195344363 /nfs/dbraw/zinc/34/43/63/1195344363.db2.gz CTDAKUBSBGUCMJ-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC001218970576 1224275434 /nfs/dbraw/zinc/27/54/34/1224275434.db2.gz KRWFCNCSRNHHKT-ZWKOTPCHSA-N 2 2 365.449 0.816 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC001218970576 1224275438 /nfs/dbraw/zinc/27/54/38/1224275438.db2.gz KRWFCNCSRNHHKT-ZWKOTPCHSA-N 2 2 365.449 0.816 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077259022 1195363132 /nfs/dbraw/zinc/36/31/32/1195363132.db2.gz GBWZAWBPFRUZBN-QXAKKESOSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077259022 1195363135 /nfs/dbraw/zinc/36/31/35/1195363135.db2.gz GBWZAWBPFRUZBN-QXAKKESOSA-N 2 2 370.453 0.299 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077260791 1195365326 /nfs/dbraw/zinc/36/53/26/1195365326.db2.gz WBDAFHMJTUQKBO-BMGDILEWSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077260791 1195365330 /nfs/dbraw/zinc/36/53/30/1195365330.db2.gz WBDAFHMJTUQKBO-BMGDILEWSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077260791 1195365335 /nfs/dbraw/zinc/36/53/35/1195365335.db2.gz WBDAFHMJTUQKBO-BMGDILEWSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077260791 1195365339 /nfs/dbraw/zinc/36/53/39/1195365339.db2.gz WBDAFHMJTUQKBO-BMGDILEWSA-N 2 2 362.474 0.411 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260419 1195365817 /nfs/dbraw/zinc/36/58/17/1195365817.db2.gz GDTWMJGKYOUERG-ATZDWAIDSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260419 1195365824 /nfs/dbraw/zinc/36/58/24/1195365824.db2.gz GDTWMJGKYOUERG-ATZDWAIDSA-N 2 2 370.453 0.686 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)no1 ZINC001077274939 1195375813 /nfs/dbraw/zinc/37/58/13/1195375813.db2.gz KLSJIFQPFQINCP-QZTJIDSGSA-N 2 2 358.442 0.754 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2O)no1 ZINC001077274939 1195375817 /nfs/dbraw/zinc/37/58/17/1195375817.db2.gz KLSJIFQPFQINCP-QZTJIDSGSA-N 2 2 358.442 0.754 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276374 1195378146 /nfs/dbraw/zinc/37/81/46/1195378146.db2.gz ZMEPJNLMGRTSLC-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276374 1195378150 /nfs/dbraw/zinc/37/81/50/1195378150.db2.gz ZMEPJNLMGRTSLC-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001077299664 1195399131 /nfs/dbraw/zinc/39/91/31/1195399131.db2.gz MJEXOQLMHYKKFX-HUUCEWRRSA-N 2 2 362.474 0.835 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001077299664 1195399136 /nfs/dbraw/zinc/39/91/36/1195399136.db2.gz MJEXOQLMHYKKFX-HUUCEWRRSA-N 2 2 362.474 0.835 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002783 1224282754 /nfs/dbraw/zinc/28/27/54/1224282754.db2.gz BTUDZKCPWSRDDR-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002783 1224282761 /nfs/dbraw/zinc/28/27/61/1224282761.db2.gz BTUDZKCPWSRDDR-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001077392980 1195490921 /nfs/dbraw/zinc/49/09/21/1195490921.db2.gz ZYZIUBSJDHKHGT-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001077392980 1195490924 /nfs/dbraw/zinc/49/09/24/1195490924.db2.gz ZYZIUBSJDHKHGT-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC001077395959 1195494051 /nfs/dbraw/zinc/49/40/51/1195494051.db2.gz HBZZUOXKKJTXHM-HZPDHXFCSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC001077395959 1195494054 /nfs/dbraw/zinc/49/40/54/1195494054.db2.gz HBZZUOXKKJTXHM-HZPDHXFCSA-N 2 2 355.398 0.914 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077399360 1195500009 /nfs/dbraw/zinc/50/00/09/1195500009.db2.gz GKBFVWSEWGWVFB-SJLPKXTDSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077399360 1195500017 /nfs/dbraw/zinc/50/00/17/1195500017.db2.gz GKBFVWSEWGWVFB-SJLPKXTDSA-N 2 2 362.474 0.492 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004627 1224286446 /nfs/dbraw/zinc/28/64/46/1224286446.db2.gz PIUIMAZKRHECBM-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004627 1224286453 /nfs/dbraw/zinc/28/64/53/1224286453.db2.gz PIUIMAZKRHECBM-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004627 1224286457 /nfs/dbraw/zinc/28/64/57/1224286457.db2.gz PIUIMAZKRHECBM-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]21 ZINC001219004627 1224286462 /nfs/dbraw/zinc/28/64/62/1224286462.db2.gz PIUIMAZKRHECBM-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905445996 1195586542 /nfs/dbraw/zinc/58/65/42/1195586542.db2.gz AWRQZTAQHSXCCO-OALUTQOASA-N 2 2 369.550 0.819 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083590900 1195587159 /nfs/dbraw/zinc/58/71/59/1195587159.db2.gz AQPUWHPJYUURKP-IKGGRYGDSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083590900 1195587164 /nfs/dbraw/zinc/58/71/64/1195587164.db2.gz AQPUWHPJYUURKP-IKGGRYGDSA-N 2 2 371.441 0.038 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)[C@@H](O)C2)C1=O ZINC001083591822 1195591816 /nfs/dbraw/zinc/59/18/16/1195591816.db2.gz XZLPFVUKSMQSHR-ZACQAIPSSA-N 2 2 371.441 0.038 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)[C@@H](O)C2)C1=O ZINC001083591822 1195591821 /nfs/dbraw/zinc/59/18/21/1195591821.db2.gz XZLPFVUKSMQSHR-ZACQAIPSSA-N 2 2 371.441 0.038 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083606586 1195682254 /nfs/dbraw/zinc/68/22/54/1195682254.db2.gz GBTYYDJJZRXHRO-SJORKVTESA-N 2 2 371.441 0.122 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083606586 1195682258 /nfs/dbraw/zinc/68/22/58/1195682258.db2.gz GBTYYDJJZRXHRO-SJORKVTESA-N 2 2 371.441 0.122 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000907451982 1195695651 /nfs/dbraw/zinc/69/56/51/1195695651.db2.gz GLEDFNNVECGNJN-IBGZPJMESA-N 2 2 367.582 0.935 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908202926 1195732492 /nfs/dbraw/zinc/73/24/92/1195732492.db2.gz PLZRADXFEJWYSE-IAGOWNOFSA-N 2 2 362.474 0.101 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908202926 1195732493 /nfs/dbraw/zinc/73/24/93/1195732493.db2.gz PLZRADXFEJWYSE-IAGOWNOFSA-N 2 2 362.474 0.101 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCn2cccc2C1 ZINC000910574509 1195821784 /nfs/dbraw/zinc/82/17/84/1195821784.db2.gz FTVMOBGKNWBXLF-UHFFFAOYSA-N 2 2 361.490 0.315 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCn2cccc2C1 ZINC000910574509 1195821786 /nfs/dbraw/zinc/82/17/86/1195821786.db2.gz FTVMOBGKNWBXLF-UHFFFAOYSA-N 2 2 361.490 0.315 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)ccc1C ZINC001083645034 1195952937 /nfs/dbraw/zinc/95/29/37/1195952937.db2.gz HOBNHFXBIAXLOR-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)ccc1C ZINC001083645034 1195952940 /nfs/dbraw/zinc/95/29/40/1195952940.db2.gz HOBNHFXBIAXLOR-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054883 1224324741 /nfs/dbraw/zinc/32/47/41/1224324741.db2.gz OMPYQGIGMWQUCU-IXDOHACOSA-N 2 2 368.522 0.494 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054883 1224324752 /nfs/dbraw/zinc/32/47/52/1224324752.db2.gz OMPYQGIGMWQUCU-IXDOHACOSA-N 2 2 368.522 0.494 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054883 1224324763 /nfs/dbraw/zinc/32/47/63/1224324763.db2.gz OMPYQGIGMWQUCU-IXDOHACOSA-N 2 2 368.522 0.494 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054883 1224324774 /nfs/dbraw/zinc/32/47/74/1224324774.db2.gz OMPYQGIGMWQUCU-IXDOHACOSA-N 2 2 368.522 0.494 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054997 1224324982 /nfs/dbraw/zinc/32/49/82/1224324982.db2.gz RGWIGCSPUDKCET-DLBZAZTESA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054997 1224324990 /nfs/dbraw/zinc/32/49/90/1224324990.db2.gz RGWIGCSPUDKCET-DLBZAZTESA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054997 1224324995 /nfs/dbraw/zinc/32/49/95/1224324995.db2.gz RGWIGCSPUDKCET-DLBZAZTESA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054997 1224325003 /nfs/dbraw/zinc/32/50/03/1224325003.db2.gz RGWIGCSPUDKCET-DLBZAZTESA-N 2 2 362.474 0.842 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363930 1196327449 /nfs/dbraw/zinc/32/74/49/1196327449.db2.gz ZXIUKJSIFAEEFR-NNFUDEMPSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363930 1196327454 /nfs/dbraw/zinc/32/74/54/1196327454.db2.gz ZXIUKJSIFAEEFR-NNFUDEMPSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363930 1196327457 /nfs/dbraw/zinc/32/74/57/1196327457.db2.gz ZXIUKJSIFAEEFR-NNFUDEMPSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363930 1196327460 /nfs/dbraw/zinc/32/74/60/1196327460.db2.gz ZXIUKJSIFAEEFR-NNFUDEMPSA-N 2 2 364.490 0.051 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CN(C)CC[NH+](C)C2)cc1 ZINC000913000058 1196386861 /nfs/dbraw/zinc/38/68/61/1196386861.db2.gz CBIWLYIZGAYHFK-GOSISDBHSA-N 2 2 360.502 0.879 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CN(C)CC[NH+](C)C2)cc1 ZINC000913000058 1196386865 /nfs/dbraw/zinc/38/68/65/1196386865.db2.gz CBIWLYIZGAYHFK-GOSISDBHSA-N 2 2 360.502 0.879 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C2CN(C)CC[N@H+](C)C2)cc1 ZINC000913000058 1196386868 /nfs/dbraw/zinc/38/68/68/1196386868.db2.gz CBIWLYIZGAYHFK-GOSISDBHSA-N 2 2 360.502 0.879 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C2CN(C)CC[N@@H+](C)C2)cc1 ZINC000913000058 1196386871 /nfs/dbraw/zinc/38/68/71/1196386871.db2.gz CBIWLYIZGAYHFK-GOSISDBHSA-N 2 2 360.502 0.879 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668487 1196390869 /nfs/dbraw/zinc/39/08/69/1196390869.db2.gz RXGDOZKEFRDTMI-FGTMMUONSA-N 2 2 361.490 0.264 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668487 1196390872 /nfs/dbraw/zinc/39/08/72/1196390872.db2.gz RXGDOZKEFRDTMI-FGTMMUONSA-N 2 2 361.490 0.264 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444294 1196410139 /nfs/dbraw/zinc/41/01/39/1196410139.db2.gz RXGDOZKEFRDTMI-KZNAEPCWSA-N 2 2 361.490 0.264 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@@H](C4CCOCC4)C3=O)CC2)CC1 ZINC000349349701 1196484717 /nfs/dbraw/zinc/48/47/17/1196484717.db2.gz VKKVXWQHBWKWJP-KRWDZBQOSA-N 2 2 364.490 0.892 20 0 FCADLP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000057175238 1196501855 /nfs/dbraw/zinc/50/18/55/1196501855.db2.gz MSCKFIGFJHBYPI-UHFFFAOYSA-N 2 2 356.474 0.060 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC1=O ZINC000591650850 1196523766 /nfs/dbraw/zinc/52/37/66/1196523766.db2.gz MFRFZIVJOVZOOM-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC1=O ZINC000591650850 1196523773 /nfs/dbraw/zinc/52/37/73/1196523773.db2.gz MFRFZIVJOVZOOM-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC000591650850 1196523779 /nfs/dbraw/zinc/52/37/79/1196523779.db2.gz MFRFZIVJOVZOOM-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1=O ZINC000591650850 1196523784 /nfs/dbraw/zinc/52/37/84/1196523784.db2.gz MFRFZIVJOVZOOM-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)c21 ZINC000592958669 1196600144 /nfs/dbraw/zinc/60/01/44/1196600144.db2.gz GFHFAZNBUDBTNH-AWEZNQCLSA-N 2 2 373.461 0.500 20 0 FCADLP COC(=O)[C@H]1C[N@H+](CCCC[NH+]2C[C@H](C)O[C@H](C(=O)OC)C2)C[C@@H](C)O1 ZINC000593086888 1196613461 /nfs/dbraw/zinc/61/34/61/1196613461.db2.gz KAOYLHCUGRUUDS-GEEKYZPCSA-N 2 2 372.462 0.291 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)O[C@H](C(=O)OC)C2)C[C@@H](C)O1 ZINC000593086888 1196613469 /nfs/dbraw/zinc/61/34/69/1196613469.db2.gz KAOYLHCUGRUUDS-GEEKYZPCSA-N 2 2 372.462 0.291 20 0 FCADLP COC(=O)[C@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)C[C@@H](C)O1 ZINC000593086888 1196613474 /nfs/dbraw/zinc/61/34/74/1196613474.db2.gz KAOYLHCUGRUUDS-GEEKYZPCSA-N 2 2 372.462 0.291 20 0 FCADLP COC(=O)[C@H]1C[NH+](CCCC[N@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)C[C@@H](C)O1 ZINC000593086888 1196613479 /nfs/dbraw/zinc/61/34/79/1196613479.db2.gz KAOYLHCUGRUUDS-GEEKYZPCSA-N 2 2 372.462 0.291 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C1CC1 ZINC000593124012 1196616683 /nfs/dbraw/zinc/61/66/83/1196616683.db2.gz QBLOPEUYBVQXEZ-JKSUJKDBSA-N 2 2 367.490 0.344 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C1CC1 ZINC000593124012 1196616687 /nfs/dbraw/zinc/61/66/87/1196616687.db2.gz QBLOPEUYBVQXEZ-JKSUJKDBSA-N 2 2 367.490 0.344 20 0 FCADLP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219170730 1224372868 /nfs/dbraw/zinc/37/28/68/1224372868.db2.gz XQMZKHDWUFFRFD-HNNXBMFYSA-N 2 2 373.413 0.541 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001089089446 1196894094 /nfs/dbraw/zinc/89/40/94/1196894094.db2.gz ILCRHEZSJAQORI-CABCVRRESA-N 2 2 358.450 0.582 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001089089446 1196894097 /nfs/dbraw/zinc/89/40/97/1196894097.db2.gz ILCRHEZSJAQORI-CABCVRRESA-N 2 2 358.450 0.582 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000992057781 1196927346 /nfs/dbraw/zinc/92/73/46/1196927346.db2.gz YOYANXFTQFMUHM-BFYDXBDKSA-N 2 2 371.485 0.433 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000992057781 1196927354 /nfs/dbraw/zinc/92/73/54/1196927354.db2.gz YOYANXFTQFMUHM-BFYDXBDKSA-N 2 2 371.485 0.433 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC[N@@H+]1C ZINC000992409127 1197092125 /nfs/dbraw/zinc/09/21/25/1197092125.db2.gz SCXPGMMKTWBUJI-VNQPRFMTSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC[N@H+]1C ZINC000992409127 1197092128 /nfs/dbraw/zinc/09/21/28/1197092128.db2.gz SCXPGMMKTWBUJI-VNQPRFMTSA-N 2 2 359.474 0.503 20 0 FCADLP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001272467635 1197102328 /nfs/dbraw/zinc/10/23/28/1197102328.db2.gz OWEAIAMWYIRVIF-BPQIPLTHSA-N 2 2 366.462 0.588 20 0 FCADLP C[C@H](CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000914067638 1197214664 /nfs/dbraw/zinc/21/46/64/1197214664.db2.gz XMJLADYQIDCHJM-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199113 1197649403 /nfs/dbraw/zinc/64/94/03/1197649403.db2.gz QKRTUBZKDSTHIZ-ARFHVFGLSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199113 1197649423 /nfs/dbraw/zinc/64/94/23/1197649423.db2.gz QKRTUBZKDSTHIZ-ARFHVFGLSA-N 2 2 366.462 0.353 20 0 FCADLP Cc1noc(C[NH+](CCO)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001098371380 1197799094 /nfs/dbraw/zinc/79/90/94/1197799094.db2.gz OHXUHCQHIFURLU-CZUORRHYSA-N 2 2 365.478 0.504 20 0 FCADLP Cc1noc(C[NH+](CCO)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001098371380 1197799102 /nfs/dbraw/zinc/79/91/02/1197799102.db2.gz OHXUHCQHIFURLU-CZUORRHYSA-N 2 2 365.478 0.504 20 0 FCADLP Cc1noc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)n1 ZINC001098371380 1197799108 /nfs/dbraw/zinc/79/91/08/1197799108.db2.gz OHXUHCQHIFURLU-CZUORRHYSA-N 2 2 365.478 0.504 20 0 FCADLP Cc1noc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)n1 ZINC001098371380 1197799122 /nfs/dbraw/zinc/79/91/22/1197799122.db2.gz OHXUHCQHIFURLU-CZUORRHYSA-N 2 2 365.478 0.504 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)C1 ZINC001085306886 1197809173 /nfs/dbraw/zinc/80/91/73/1197809173.db2.gz VNSAIJZUZMXLHS-BZUAXINKSA-N 2 2 363.510 0.849 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)C1 ZINC001085306886 1197809174 /nfs/dbraw/zinc/80/91/74/1197809174.db2.gz VNSAIJZUZMXLHS-BZUAXINKSA-N 2 2 363.510 0.849 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)cc1 ZINC001083725830 1197809715 /nfs/dbraw/zinc/80/97/15/1197809715.db2.gz PWSLBWAJJOSBCG-QYZOEREBSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cc1 ZINC001083725830 1197809719 /nfs/dbraw/zinc/80/97/19/1197809719.db2.gz PWSLBWAJJOSBCG-QYZOEREBSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cc1 ZINC001083725830 1197809724 /nfs/dbraw/zinc/80/97/24/1197809724.db2.gz PWSLBWAJJOSBCG-QYZOEREBSA-N 2 2 361.486 0.766 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106274419 1197815461 /nfs/dbraw/zinc/81/54/61/1197815461.db2.gz KGBBWSSJYPHSJI-RRCSTGOVSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106274419 1197815465 /nfs/dbraw/zinc/81/54/65/1197815465.db2.gz KGBBWSSJYPHSJI-RRCSTGOVSA-N 2 2 359.474 0.818 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000993159248 1197908709 /nfs/dbraw/zinc/90/87/09/1197908709.db2.gz WALPOKIUAASJRJ-ZSZQSSIHSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000993159248 1197908718 /nfs/dbraw/zinc/90/87/18/1197908718.db2.gz WALPOKIUAASJRJ-ZSZQSSIHSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106415646 1197910484 /nfs/dbraw/zinc/91/04/84/1197910484.db2.gz MWTBDGGRHQTARI-HUUCEWRRSA-N 2 2 353.430 0.924 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993160458 1197911172 /nfs/dbraw/zinc/91/11/72/1197911172.db2.gz CNGIAHUHSKYAEG-ALKREAHSSA-N 2 2 361.490 0.908 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106464339 1197945320 /nfs/dbraw/zinc/94/53/20/1197945320.db2.gz UJEWQZJVIGMPLP-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@@H]1O)CC2 ZINC001083731623 1198003539 /nfs/dbraw/zinc/00/35/39/1198003539.db2.gz HJWSPYBEWJKPIN-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@@H]1O)CC2 ZINC001083731623 1198003548 /nfs/dbraw/zinc/00/35/48/1198003548.db2.gz HJWSPYBEWJKPIN-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP COC(=O)[C@H]1CCc2cc(NC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)ccc21 ZINC001219425812 1224463542 /nfs/dbraw/zinc/46/35/42/1224463542.db2.gz VUWUVUMJROZORO-IRXDYDNUSA-N 2 2 360.458 0.578 20 0 FCADLP COC(=O)[C@@H]1CCc2cc(NC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)ccc21 ZINC001219425813 1224464088 /nfs/dbraw/zinc/46/40/88/1224464088.db2.gz VUWUVUMJROZORO-SJORKVTESA-N 2 2 360.458 0.578 20 0 FCADLP CCn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001086201409 1198249284 /nfs/dbraw/zinc/24/92/84/1198249284.db2.gz ZJBXTENUBJJLAF-OCVGTWLNSA-N 2 2 357.462 0.820 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001006295698 1198310155 /nfs/dbraw/zinc/31/01/55/1198310155.db2.gz UCAKFUFSESULIX-HZMVEIRTSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001006295698 1198310165 /nfs/dbraw/zinc/31/01/65/1198310165.db2.gz UCAKFUFSESULIX-HZMVEIRTSA-N 2 2 359.474 0.863 20 0 FCADLP O=C(Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453696 1224475910 /nfs/dbraw/zinc/47/59/10/1224475910.db2.gz NNGRWCULOQVGMW-GJZGRUSLSA-N 3 2 366.412 0.810 20 0 FCADLP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456703 1224476231 /nfs/dbraw/zinc/47/62/31/1224476231.db2.gz TUIPVMIAIODOEU-COPLHBTASA-N 2 2 370.400 0.853 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001086392642 1198347773 /nfs/dbraw/zinc/34/77/73/1198347773.db2.gz YVJKEJRKQGOZBX-KLHDSHLOSA-N 2 2 357.462 0.906 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001086392642 1198347781 /nfs/dbraw/zinc/34/77/81/1198347781.db2.gz YVJKEJRKQGOZBX-KLHDSHLOSA-N 2 2 357.462 0.906 20 0 FCADLP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219490009 1224486060 /nfs/dbraw/zinc/48/60/60/1224486060.db2.gz ZTAGMHVWFLPKIG-HOTGVXAUSA-N 3 2 361.490 0.711 20 0 FCADLP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)NCCn1cc[nH+]c1 ZINC001219563580 1224511551 /nfs/dbraw/zinc/51/15/51/1224511551.db2.gz BAGSOHVDMALPFJ-HNNXBMFYSA-N 2 2 356.382 0.771 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C ZINC001086482825 1198956083 /nfs/dbraw/zinc/95/60/83/1198956083.db2.gz YOTDPYMGGIOJCS-DHGKCCLASA-N 2 2 358.450 0.293 20 0 FCADLP COC(=O)C1=Cc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc(OC)c2OC1 ZINC001169076090 1199044892 /nfs/dbraw/zinc/04/48/92/1199044892.db2.gz MCJGAKCNZFULPA-CYBMUJFWSA-N 2 2 359.382 0.692 20 0 FCADLP CCOC(=O)c1cnc(N2CCCCC2)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169070910 1199044910 /nfs/dbraw/zinc/04/49/10/1199044910.db2.gz FOHFSDQPYFSNEN-CYBMUJFWSA-N 2 2 374.445 0.691 20 0 FCADLP CN1CCN(c2cc(NCc3ncn4c3C[NH2+]CCC4)[nH+]cn2)CC1=O ZINC001169240382 1199058742 /nfs/dbraw/zinc/05/87/42/1199058742.db2.gz HDGNKAFDSHTDTR-UHFFFAOYSA-N 2 2 356.434 0.057 20 0 FCADLP CN1CCN(c2cc(NCc3ncn4c3C[NH2+]CCC4)nc[nH+]2)CC1=O ZINC001169240382 1199058747 /nfs/dbraw/zinc/05/87/47/1199058747.db2.gz HDGNKAFDSHTDTR-UHFFFAOYSA-N 2 2 356.434 0.057 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129333914 1199069873 /nfs/dbraw/zinc/06/98/73/1199069873.db2.gz UQAVVOUPFSIRRS-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129333914 1199069876 /nfs/dbraw/zinc/06/98/76/1199069876.db2.gz UQAVVOUPFSIRRS-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC(=O)N1CCC[C@@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001169606580 1199081373 /nfs/dbraw/zinc/08/13/73/1199081373.db2.gz WJSMMNDBYMIHKA-CQSZACIVSA-N 2 2 363.462 0.335 20 0 FCADLP CC(=O)N1CCC[C@@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001169606580 1199081378 /nfs/dbraw/zinc/08/13/78/1199081378.db2.gz WJSMMNDBYMIHKA-CQSZACIVSA-N 2 2 363.462 0.335 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1)C(C)C ZINC001219655907 1224545288 /nfs/dbraw/zinc/54/52/88/1224545288.db2.gz AFTRIOXRYNEYAQ-VQHPVUNQSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1)C(C)C ZINC001219655907 1224545293 /nfs/dbraw/zinc/54/52/93/1224545293.db2.gz AFTRIOXRYNEYAQ-VQHPVUNQSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1)C(C)C ZINC001219655907 1224545300 /nfs/dbraw/zinc/54/53/00/1224545300.db2.gz AFTRIOXRYNEYAQ-VQHPVUNQSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1)C(C)C ZINC001219655907 1224545304 /nfs/dbraw/zinc/54/53/04/1224545304.db2.gz AFTRIOXRYNEYAQ-VQHPVUNQSA-N 2 2 368.522 0.133 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)n1 ZINC001109223077 1200118794 /nfs/dbraw/zinc/11/87/94/1200118794.db2.gz KNTAUFNGYBQMNM-PMPSAXMXSA-N 2 2 357.462 0.972 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)n1 ZINC001109223077 1200118800 /nfs/dbraw/zinc/11/88/00/1200118800.db2.gz KNTAUFNGYBQMNM-PMPSAXMXSA-N 2 2 357.462 0.972 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001109386260 1200235639 /nfs/dbraw/zinc/23/56/39/1200235639.db2.gz SSNADZYKVCILAS-UGUYLWEFSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001109386260 1200235643 /nfs/dbraw/zinc/23/56/43/1200235643.db2.gz SSNADZYKVCILAS-UGUYLWEFSA-N 2 2 355.446 0.843 20 0 FCADLP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109397459 1200244839 /nfs/dbraw/zinc/24/48/39/1200244839.db2.gz CBWQPABJDXUNJF-OWSLCNJRSA-N 2 2 363.506 0.960 20 0 FCADLP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109397459 1200244842 /nfs/dbraw/zinc/24/48/42/1200244842.db2.gz CBWQPABJDXUNJF-OWSLCNJRSA-N 2 2 363.506 0.960 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1)C1CC1 ZINC001109401600 1200249341 /nfs/dbraw/zinc/24/93/41/1200249341.db2.gz AWOXIDLJBLQEBQ-VUHPKUFZSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1)C1CC1 ZINC001109401600 1200249349 /nfs/dbraw/zinc/24/93/49/1200249349.db2.gz AWOXIDLJBLQEBQ-VUHPKUFZSA-N 2 2 362.518 0.964 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402723 1200251029 /nfs/dbraw/zinc/25/10/29/1200251029.db2.gz ZPGKTOSCKIMRKV-PMPSAXMXSA-N 2 2 366.506 0.345 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402723 1200251032 /nfs/dbraw/zinc/25/10/32/1200251032.db2.gz ZPGKTOSCKIMRKV-PMPSAXMXSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH+]ccn2C)C3)n1 ZINC001109548995 1200374148 /nfs/dbraw/zinc/37/41/48/1200374148.db2.gz DMPFVWNCGKFFPW-IKGGRYGDSA-N 2 2 371.489 0.983 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH+]ccn2C)C3)n1 ZINC001109548995 1200374158 /nfs/dbraw/zinc/37/41/58/1200374158.db2.gz DMPFVWNCGKFFPW-IKGGRYGDSA-N 2 2 371.489 0.983 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001109714337 1200479414 /nfs/dbraw/zinc/47/94/14/1200479414.db2.gz HFGWIHZQGWSDPX-BARDWOONSA-N 2 2 367.494 0.284 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001109714337 1200479419 /nfs/dbraw/zinc/47/94/19/1200479419.db2.gz HFGWIHZQGWSDPX-BARDWOONSA-N 2 2 367.494 0.284 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCNC1=O ZINC001109728921 1200489961 /nfs/dbraw/zinc/48/99/61/1200489961.db2.gz JSGQEVKSLLEBBT-YDZRNGNQSA-N 2 2 370.497 0.771 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCNC1=O ZINC001109728921 1200489963 /nfs/dbraw/zinc/48/99/63/1200489963.db2.gz JSGQEVKSLLEBBT-YDZRNGNQSA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001109728921 1200489965 /nfs/dbraw/zinc/48/99/65/1200489965.db2.gz JSGQEVKSLLEBBT-YDZRNGNQSA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001109728921 1200489968 /nfs/dbraw/zinc/48/99/68/1200489968.db2.gz JSGQEVKSLLEBBT-YDZRNGNQSA-N 2 2 370.497 0.771 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109728957 1200490451 /nfs/dbraw/zinc/49/04/51/1200490451.db2.gz LQHVKYVKIXYOMA-QYZOEREBSA-N 2 2 372.513 0.971 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109728957 1200490459 /nfs/dbraw/zinc/49/04/59/1200490459.db2.gz LQHVKYVKIXYOMA-QYZOEREBSA-N 2 2 372.513 0.971 20 0 FCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109728957 1200490467 /nfs/dbraw/zinc/49/04/67/1200490467.db2.gz LQHVKYVKIXYOMA-QYZOEREBSA-N 2 2 372.513 0.971 20 0 FCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109728957 1200490474 /nfs/dbraw/zinc/49/04/74/1200490474.db2.gz LQHVKYVKIXYOMA-QYZOEREBSA-N 2 2 372.513 0.971 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797900 1224616848 /nfs/dbraw/zinc/61/68/48/1224616848.db2.gz AHMDKJXTMAPPQI-XHSDSOJGSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797900 1224616852 /nfs/dbraw/zinc/61/68/52/1224616852.db2.gz AHMDKJXTMAPPQI-XHSDSOJGSA-N 2 2 368.522 0.183 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843131 1200556328 /nfs/dbraw/zinc/55/63/28/1200556328.db2.gz DCAZGYTVXNUAHU-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843131 1200556336 /nfs/dbraw/zinc/55/63/36/1200556336.db2.gz DCAZGYTVXNUAHU-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847987 1200559366 /nfs/dbraw/zinc/55/93/66/1200559366.db2.gz QFQWYCACHNNYAE-DFGXFYAUSA-N 2 2 359.474 0.981 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847987 1200559371 /nfs/dbraw/zinc/55/93/71/1200559371.db2.gz QFQWYCACHNNYAE-DFGXFYAUSA-N 2 2 359.474 0.981 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001109848012 1200559863 /nfs/dbraw/zinc/55/98/63/1200559863.db2.gz RLBJSAAOMJXQRG-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001109848012 1200559871 /nfs/dbraw/zinc/55/98/71/1200559871.db2.gz RLBJSAAOMJXQRG-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001219800900 1224621131 /nfs/dbraw/zinc/62/11/31/1224621131.db2.gz YGILCPWJZQHJAC-ZACQAIPSSA-N 2 2 365.522 0.801 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@@H]1O ZINC001219800900 1224621134 /nfs/dbraw/zinc/62/11/34/1224621134.db2.gz YGILCPWJZQHJAC-ZACQAIPSSA-N 2 2 365.522 0.801 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961319 1200638997 /nfs/dbraw/zinc/63/89/97/1200638997.db2.gz ZANNFTZNLAVDDY-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961319 1200639012 /nfs/dbraw/zinc/63/90/12/1200639012.db2.gz ZANNFTZNLAVDDY-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)C1CC1 ZINC001219805532 1224623746 /nfs/dbraw/zinc/62/37/46/1224623746.db2.gz MANJTERMIHPIDT-RYRKJORJSA-N 2 2 365.449 0.706 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)C1CC1 ZINC001219805532 1224623749 /nfs/dbraw/zinc/62/37/49/1224623749.db2.gz MANJTERMIHPIDT-RYRKJORJSA-N 2 2 365.449 0.706 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001219804551 1224623773 /nfs/dbraw/zinc/62/37/73/1224623773.db2.gz ZMVDUSSEQDZWJJ-ZACQAIPSSA-N 2 2 362.474 0.739 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001219804551 1224623775 /nfs/dbraw/zinc/62/37/75/1224623775.db2.gz ZMVDUSSEQDZWJJ-ZACQAIPSSA-N 2 2 362.474 0.739 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005949 1200693731 /nfs/dbraw/zinc/69/37/31/1200693731.db2.gz MSAYJTNKHOSVQN-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005949 1200693734 /nfs/dbraw/zinc/69/37/34/1200693734.db2.gz MSAYJTNKHOSVQN-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815844 1224630923 /nfs/dbraw/zinc/63/09/23/1224630923.db2.gz NCLZAXBVSXEUPK-XYPHTWIQSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815844 1224630927 /nfs/dbraw/zinc/63/09/27/1224630927.db2.gz NCLZAXBVSXEUPK-XYPHTWIQSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815844 1224630930 /nfs/dbraw/zinc/63/09/30/1224630930.db2.gz NCLZAXBVSXEUPK-XYPHTWIQSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815844 1224630932 /nfs/dbraw/zinc/63/09/32/1224630932.db2.gz NCLZAXBVSXEUPK-XYPHTWIQSA-N 2 2 368.522 0.325 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000785648872 1200778641 /nfs/dbraw/zinc/77/86/41/1200778641.db2.gz NTYMKMAODYWCCD-BRWVUGGUSA-N 2 2 367.490 0.583 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000785648872 1200778644 /nfs/dbraw/zinc/77/86/44/1200778644.db2.gz NTYMKMAODYWCCD-BRWVUGGUSA-N 2 2 367.490 0.583 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112563130 1200796569 /nfs/dbraw/zinc/79/65/69/1200796569.db2.gz GWMLJZDBJOUFFV-LIRRHRJNSA-N 2 2 359.474 0.460 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC2CC2)C1 ZINC001112570181 1200802950 /nfs/dbraw/zinc/80/29/50/1200802950.db2.gz JBCVNRNWSJFADD-LIRRHRJNSA-N 2 2 359.474 0.758 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)cn1 ZINC000787482956 1200888551 /nfs/dbraw/zinc/88/85/51/1200888551.db2.gz CHZIEXVWQDAFBV-UHFFFAOYSA-N 2 2 370.457 0.746 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825540 1224639644 /nfs/dbraw/zinc/63/96/44/1224639644.db2.gz CUPRXMUTJMPGPT-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825540 1224639650 /nfs/dbraw/zinc/63/96/50/1224639650.db2.gz CUPRXMUTJMPGPT-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825540 1224639655 /nfs/dbraw/zinc/63/96/55/1224639655.db2.gz CUPRXMUTJMPGPT-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825540 1224639665 /nfs/dbraw/zinc/63/96/65/1224639665.db2.gz CUPRXMUTJMPGPT-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086578940 1201024428 /nfs/dbraw/zinc/02/44/28/1201024428.db2.gz GENZGRJPVKGTNY-KSZLIROESA-N 2 2 358.486 0.753 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086578940 1201024433 /nfs/dbraw/zinc/02/44/33/1201024433.db2.gz GENZGRJPVKGTNY-KSZLIROESA-N 2 2 358.486 0.753 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086578940 1201024438 /nfs/dbraw/zinc/02/44/38/1201024438.db2.gz GENZGRJPVKGTNY-KSZLIROESA-N 2 2 358.486 0.753 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086578940 1201024443 /nfs/dbraw/zinc/02/44/43/1201024443.db2.gz GENZGRJPVKGTNY-KSZLIROESA-N 2 2 358.486 0.753 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845369 1224651816 /nfs/dbraw/zinc/65/18/16/1224651816.db2.gz IISRDEFMUMIIPS-RYRKJORJSA-N 2 2 370.538 0.383 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845369 1224651820 /nfs/dbraw/zinc/65/18/20/1224651820.db2.gz IISRDEFMUMIIPS-RYRKJORJSA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001219845394 1224651870 /nfs/dbraw/zinc/65/18/70/1224651870.db2.gz JPKYZGUTIATEED-IKGGRYGDSA-N 2 2 362.474 0.033 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001219845394 1224651875 /nfs/dbraw/zinc/65/18/75/1224651875.db2.gz JPKYZGUTIATEED-IKGGRYGDSA-N 2 2 362.474 0.033 20 0 FCADLP CC[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCO1 ZINC001170193707 1201199931 /nfs/dbraw/zinc/19/99/31/1201199931.db2.gz RZNICEVEGVJORL-UKMLZYKCSA-N 2 2 363.462 0.359 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1O ZINC001090464692 1201204293 /nfs/dbraw/zinc/20/42/93/1201204293.db2.gz OSCRAFHXYOUOPR-IAGOWNOFSA-N 2 2 361.490 0.671 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1O ZINC001090464692 1201204297 /nfs/dbraw/zinc/20/42/97/1201204297.db2.gz OSCRAFHXYOUOPR-IAGOWNOFSA-N 2 2 361.490 0.671 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793728570 1201255476 /nfs/dbraw/zinc/25/54/76/1201255476.db2.gz VPBNNLZGHHYBTQ-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793728570 1201255480 /nfs/dbraw/zinc/25/54/80/1201255480.db2.gz VPBNNLZGHHYBTQ-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101133 1201256867 /nfs/dbraw/zinc/25/68/67/1201256867.db2.gz AIRAHYMRFSDTCZ-MHORFTMASA-N 2 2 374.529 0.964 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101133 1201256870 /nfs/dbraw/zinc/25/68/70/1201256870.db2.gz AIRAHYMRFSDTCZ-MHORFTMASA-N 2 2 374.529 0.964 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101133 1201256872 /nfs/dbraw/zinc/25/68/72/1201256872.db2.gz AIRAHYMRFSDTCZ-MHORFTMASA-N 2 2 374.529 0.964 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C2CC2)C2CC2)C1 ZINC001110101133 1201256873 /nfs/dbraw/zinc/25/68/73/1201256873.db2.gz AIRAHYMRFSDTCZ-MHORFTMASA-N 2 2 374.529 0.964 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O)[NH+](C)C ZINC001219869688 1224663514 /nfs/dbraw/zinc/66/35/14/1224663514.db2.gz RBDSRFFGXFHACD-QRVBRYPASA-N 2 2 371.485 0.874 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O)[NH+](C)C ZINC001219869688 1224663517 /nfs/dbraw/zinc/66/35/17/1224663517.db2.gz RBDSRFFGXFHACD-QRVBRYPASA-N 2 2 371.485 0.874 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129400350 1201306340 /nfs/dbraw/zinc/30/63/40/1201306340.db2.gz JNBNKHXSJZYGDM-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129400350 1201306347 /nfs/dbraw/zinc/30/63/47/1201306347.db2.gz JNBNKHXSJZYGDM-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129400350 1201306352 /nfs/dbraw/zinc/30/63/52/1201306352.db2.gz JNBNKHXSJZYGDM-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129400350 1201306354 /nfs/dbraw/zinc/30/63/54/1201306354.db2.gz JNBNKHXSJZYGDM-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086623521 1201349856 /nfs/dbraw/zinc/34/98/56/1201349856.db2.gz JNGJLPRYENYCLX-KSZLIROESA-N 2 2 356.470 0.555 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086623521 1201349860 /nfs/dbraw/zinc/34/98/60/1201349860.db2.gz JNGJLPRYENYCLX-KSZLIROESA-N 2 2 356.470 0.555 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624158 1201358956 /nfs/dbraw/zinc/35/89/56/1201358956.db2.gz QENYXPOWKKVYAC-RCCFBDPRSA-N 2 2 367.453 0.664 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086624158 1201358962 /nfs/dbraw/zinc/35/89/62/1201358962.db2.gz QENYXPOWKKVYAC-RCCFBDPRSA-N 2 2 367.453 0.664 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001086624307 1201361538 /nfs/dbraw/zinc/36/15/38/1201361538.db2.gz YDADFRMPKGHVOK-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001086624307 1201361542 /nfs/dbraw/zinc/36/15/42/1201361542.db2.gz YDADFRMPKGHVOK-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001086624307 1201361546 /nfs/dbraw/zinc/36/15/46/1201361546.db2.gz YDADFRMPKGHVOK-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001086624307 1201361547 /nfs/dbraw/zinc/36/15/47/1201361547.db2.gz YDADFRMPKGHVOK-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896770 1224672517 /nfs/dbraw/zinc/67/25/17/1224672517.db2.gz ISHLEDGTISEZHE-ZACQAIPSSA-N 2 2 367.465 0.751 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896770 1224672520 /nfs/dbraw/zinc/67/25/20/1224672520.db2.gz ISHLEDGTISEZHE-ZACQAIPSSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896770 1224672524 /nfs/dbraw/zinc/67/25/24/1224672524.db2.gz ISHLEDGTISEZHE-ZACQAIPSSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896770 1224672527 /nfs/dbraw/zinc/67/25/27/1224672527.db2.gz ISHLEDGTISEZHE-ZACQAIPSSA-N 2 2 367.465 0.751 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129901525 1201433908 /nfs/dbraw/zinc/43/39/08/1201433908.db2.gz YTWPJGTWCZBLKN-YNEHKIRRSA-N 2 2 364.450 0.089 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1)OC ZINC001129952257 1201448017 /nfs/dbraw/zinc/44/80/17/1201448017.db2.gz LLUZCOLIJDTDAG-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)CC1 ZINC001129982633 1201462638 /nfs/dbraw/zinc/46/26/38/1201462638.db2.gz GLHWPFNJVPEVOS-CABCVRRESA-N 2 2 359.434 0.150 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022839 1201475203 /nfs/dbraw/zinc/47/52/03/1201475203.db2.gz ORAFFRARVHVKBJ-XHSDSOJGSA-N 2 2 361.450 0.504 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130084066 1201494303 /nfs/dbraw/zinc/49/43/03/1201494303.db2.gz XYQMCCREYGOLMV-MCIONIFRSA-N 2 2 361.450 0.355 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1)[NH+](C)C ZINC001130221106 1201551104 /nfs/dbraw/zinc/55/11/04/1201551104.db2.gz VDCOIUNPHROZFX-ZNMIVQPWSA-N 2 2 366.510 0.879 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1)[NH+](C)C ZINC001130238182 1201561127 /nfs/dbraw/zinc/56/11/27/1201561127.db2.gz XPIYMQRCIMXZLY-IHRRRGAJSA-N 2 2 370.473 0.583 20 0 FCADLP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001130307326 1201582476 /nfs/dbraw/zinc/58/24/76/1201582476.db2.gz PSGWLFVIXYCOCG-APWZRJJASA-N 2 2 361.490 0.848 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001219986946 1224716256 /nfs/dbraw/zinc/71/62/56/1224716256.db2.gz DVTGTNDSQDIESW-MSOLQXFVSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001219986946 1224716259 /nfs/dbraw/zinc/71/62/59/1224716259.db2.gz DVTGTNDSQDIESW-MSOLQXFVSA-N 2 2 371.441 0.469 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209787 1202714156 /nfs/dbraw/zinc/71/41/56/1202714156.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 3 2 367.538 0.118 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209787 1202714159 /nfs/dbraw/zinc/71/41/59/1202714159.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209787 1202714162 /nfs/dbraw/zinc/71/41/62/1202714162.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209787 1202714165 /nfs/dbraw/zinc/71/41/65/1202714165.db2.gz DQQXMJGUCKGYKG-MRXNPFEDSA-N 3 2 367.538 0.118 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685526 1202753665 /nfs/dbraw/zinc/75/36/65/1202753665.db2.gz XMPWKMFNMUFZEE-DOTOQJQBSA-N 2 2 360.462 0.697 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698992 1202758063 /nfs/dbraw/zinc/75/80/63/1202758063.db2.gz YADLNLYWSAUIOB-IJEWVQPXSA-N 2 2 360.462 0.431 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712856 1202759800 /nfs/dbraw/zinc/75/98/00/1202759800.db2.gz OTYMCXPPYIGERR-JLJPHGGASA-N 2 2 360.462 0.315 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001130736983 1202769952 /nfs/dbraw/zinc/76/99/52/1202769952.db2.gz SKJVSGIRVMBQKZ-GOEBONIOSA-N 2 2 361.450 0.228 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001130736983 1202769955 /nfs/dbraw/zinc/76/99/55/1202769955.db2.gz SKJVSGIRVMBQKZ-GOEBONIOSA-N 2 2 361.450 0.228 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074172 1224745923 /nfs/dbraw/zinc/74/59/23/1224745923.db2.gz YQQDTKNIMHMEPA-OIISXLGYSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074172 1224745926 /nfs/dbraw/zinc/74/59/26/1224745926.db2.gz YQQDTKNIMHMEPA-OIISXLGYSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074172 1224745931 /nfs/dbraw/zinc/74/59/31/1224745931.db2.gz YQQDTKNIMHMEPA-OIISXLGYSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074172 1224745933 /nfs/dbraw/zinc/74/59/33/1224745933.db2.gz YQQDTKNIMHMEPA-OIISXLGYSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130809040 1202801843 /nfs/dbraw/zinc/80/18/43/1202801843.db2.gz DJSCOCQHOXHFMA-MELADBBJSA-N 2 2 368.457 0.542 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130809040 1202801845 /nfs/dbraw/zinc/80/18/45/1202801845.db2.gz DJSCOCQHOXHFMA-MELADBBJSA-N 2 2 368.457 0.542 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130812038 1202804900 /nfs/dbraw/zinc/80/49/00/1202804900.db2.gz YIVVZWLGSRNJRX-LSDHHAIUSA-N 2 2 364.494 0.982 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678795 1202805434 /nfs/dbraw/zinc/80/54/34/1202805434.db2.gz VGASGHOJERNBEL-BXWFABGCSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678795 1202805436 /nfs/dbraw/zinc/80/54/36/1202805436.db2.gz VGASGHOJERNBEL-BXWFABGCSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678795 1202805437 /nfs/dbraw/zinc/80/54/37/1202805437.db2.gz VGASGHOJERNBEL-BXWFABGCSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678795 1202805439 /nfs/dbraw/zinc/80/54/39/1202805439.db2.gz VGASGHOJERNBEL-BXWFABGCSA-N 2 2 366.506 0.060 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCC(C)CC3)n2)O1 ZINC001130813454 1202806261 /nfs/dbraw/zinc/80/62/61/1202806261.db2.gz PXUVZRKEPNLUBJ-LSDHHAIUSA-N 2 2 364.494 0.982 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130816384 1202807116 /nfs/dbraw/zinc/80/71/16/1202807116.db2.gz UJFXZBNSSAUFCU-UONOGXRCSA-N 2 2 370.473 0.932 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130816384 1202807121 /nfs/dbraw/zinc/80/71/21/1202807121.db2.gz UJFXZBNSSAUFCU-UONOGXRCSA-N 2 2 370.473 0.932 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130817386 1202807690 /nfs/dbraw/zinc/80/76/90/1202807690.db2.gz NHRKXGWVTFMABM-LSDHHAIUSA-N 2 2 362.478 0.736 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCCn3cc[nH+]c3)n2)O1 ZINC001130820362 1202809298 /nfs/dbraw/zinc/80/92/98/1202809298.db2.gz VBOJTCAEKJJGQJ-UONOGXRCSA-N 2 2 361.450 0.927 20 0 FCADLP CN(C(=O)C(=O)NCCOC1CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807159338 1202812116 /nfs/dbraw/zinc/81/21/16/1202812116.db2.gz BEULIJCYRKFVAM-INIZCTEOSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NCCOC1CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807159338 1202812117 /nfs/dbraw/zinc/81/21/17/1202812117.db2.gz BEULIJCYRKFVAM-INIZCTEOSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NCCOC1CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807159339 1202812317 /nfs/dbraw/zinc/81/23/17/1202812317.db2.gz BEULIJCYRKFVAM-MRXNPFEDSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NCCOC1CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807159339 1202812319 /nfs/dbraw/zinc/81/23/19/1202812319.db2.gz BEULIJCYRKFVAM-MRXNPFEDSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130603 1202869121 /nfs/dbraw/zinc/86/91/21/1202869121.db2.gz VKLQBYHTLHPSKR-ARFHVFGLSA-N 2 2 360.462 0.362 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001170542325 1202871884 /nfs/dbraw/zinc/87/18/84/1202871884.db2.gz IMOHXVMROPWQQN-OLZOCXBDSA-N 2 2 364.446 0.666 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001170542325 1202871887 /nfs/dbraw/zinc/87/18/87/1202871887.db2.gz IMOHXVMROPWQQN-OLZOCXBDSA-N 2 2 364.446 0.666 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC001086665256 1202888585 /nfs/dbraw/zinc/88/85/85/1202888585.db2.gz YTADUYCYTXHOCW-CFVMTHIKSA-N 2 2 363.462 0.652 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC001086665256 1202888586 /nfs/dbraw/zinc/88/85/86/1202888586.db2.gz YTADUYCYTXHOCW-CFVMTHIKSA-N 2 2 363.462 0.652 20 0 FCADLP O=C(NCC[NH2+]Cc1cccc(F)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613751 1202921505 /nfs/dbraw/zinc/92/15/05/1202921505.db2.gz MJVZCGIFBOSLBU-MSOLQXFVSA-N 2 2 365.449 0.911 20 0 FCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]cn1 ZINC001170779779 1203032509 /nfs/dbraw/zinc/03/25/09/1203032509.db2.gz QXEGMXNKZZENOX-RHSMWYFYSA-N 2 2 372.448 0.935 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+]([C@@H]1CCCOCC1)CC2 ZINC001170812354 1203060281 /nfs/dbraw/zinc/06/02/81/1203060281.db2.gz SUXUMOWENOUPDA-OAHLLOKOSA-N 2 2 361.490 0.735 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+]([C@@H]1CCCOCC1)CC2 ZINC001170812354 1203060282 /nfs/dbraw/zinc/06/02/82/1203060282.db2.gz SUXUMOWENOUPDA-OAHLLOKOSA-N 2 2 361.490 0.735 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737223 1203063229 /nfs/dbraw/zinc/06/32/29/1203063229.db2.gz BNYVDDUPTQASDM-MELADBBJSA-N 2 2 358.450 0.044 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220104069 1224764087 /nfs/dbraw/zinc/76/40/87/1224764087.db2.gz VYYULPKAWLNRKT-MSOLQXFVSA-N 2 2 358.442 0.781 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220104069 1224764092 /nfs/dbraw/zinc/76/40/92/1224764092.db2.gz VYYULPKAWLNRKT-MSOLQXFVSA-N 2 2 358.442 0.781 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)CC2)c1 ZINC000817916587 1203126227 /nfs/dbraw/zinc/12/62/27/1203126227.db2.gz IAKFDXFATIDNED-NRFANRHFSA-N 2 2 370.497 0.994 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817918259 1203126264 /nfs/dbraw/zinc/12/62/64/1203126264.db2.gz XOWYTJSIYWJQJO-OAQYLSRUSA-N 2 2 370.497 0.994 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000819837835 1203172328 /nfs/dbraw/zinc/17/23/28/1203172328.db2.gz SOFHOHPLAPQOBP-PKOBYXMFSA-N 2 2 361.486 0.757 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+][C@H](C)C(N)=O)cc1 ZINC001090884770 1203331423 /nfs/dbraw/zinc/33/14/23/1203331423.db2.gz JSMMKUZMQQQNDP-UHOFOFEASA-N 2 2 371.441 0.419 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220189071 1224798496 /nfs/dbraw/zinc/79/84/96/1224798496.db2.gz LDUYLWZPSKPDAX-CQDKDKBSSA-N 2 2 364.396 0.460 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220237252 1224812380 /nfs/dbraw/zinc/81/23/80/1224812380.db2.gz RINQZZZKYWQVHA-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220237252 1224812383 /nfs/dbraw/zinc/81/23/83/1224812383.db2.gz RINQZZZKYWQVHA-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220296460 1224822522 /nfs/dbraw/zinc/82/25/22/1224822522.db2.gz PYMWKOIYKNTJGF-VOBQZIQPSA-N 2 2 370.453 0.710 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000846356597 1204619945 /nfs/dbraw/zinc/61/99/45/1204619945.db2.gz HRJOYERNROOIFO-ZWKOTPCHSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000846356597 1204619948 /nfs/dbraw/zinc/61/99/48/1204619948.db2.gz HRJOYERNROOIFO-ZWKOTPCHSA-N 2 2 358.486 0.569 20 0 FCADLP CCn1nncc1C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001091240174 1204630790 /nfs/dbraw/zinc/63/07/90/1204630790.db2.gz WBZODECUYBRTBI-BCAXMMLOSA-N 2 2 357.462 0.820 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358665 1224842156 /nfs/dbraw/zinc/84/21/56/1224842156.db2.gz WBRSVJMGMSSQKY-NCOADZHNSA-N 3 2 360.458 0.251 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC001144944443 1204664960 /nfs/dbraw/zinc/66/49/60/1204664960.db2.gz NKWUAVCBJPQHRA-HZPDHXFCSA-N 2 2 360.414 0.199 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905267 1204673837 /nfs/dbraw/zinc/67/38/37/1204673837.db2.gz ZRYAQNWTKCOULY-IAGOWNOFSA-N 2 2 370.538 0.926 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905267 1204673844 /nfs/dbraw/zinc/67/38/44/1204673844.db2.gz ZRYAQNWTKCOULY-IAGOWNOFSA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905267 1204673848 /nfs/dbraw/zinc/67/38/48/1204673848.db2.gz ZRYAQNWTKCOULY-IAGOWNOFSA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905267 1204673851 /nfs/dbraw/zinc/67/38/51/1204673851.db2.gz ZRYAQNWTKCOULY-IAGOWNOFSA-N 2 2 370.538 0.926 20 0 FCADLP Cc1ncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001146947951 1204749598 /nfs/dbraw/zinc/74/95/98/1204749598.db2.gz PEJLKCJEPOBVOB-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1ncc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001146947951 1204749607 /nfs/dbraw/zinc/74/96/07/1204749607.db2.gz PEJLKCJEPOBVOB-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001147163317 1204763705 /nfs/dbraw/zinc/76/37/05/1204763705.db2.gz XBTZKADOSVISKC-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001147163317 1204763709 /nfs/dbraw/zinc/76/37/09/1204763709.db2.gz XBTZKADOSVISKC-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)[nH]1 ZINC001091677600 1204818053 /nfs/dbraw/zinc/81/80/53/1204818053.db2.gz PCCWRRQRLZUWIY-GJYPPUQNSA-N 2 2 358.490 0.735 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)[nH]1 ZINC001091677600 1204818054 /nfs/dbraw/zinc/81/80/54/1204818054.db2.gz PCCWRRQRLZUWIY-GJYPPUQNSA-N 2 2 358.490 0.735 20 0 FCADLP CCCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298849 1204826155 /nfs/dbraw/zinc/82/61/55/1204826155.db2.gz VKTQZRDJCDRBRH-HUUCEWRRSA-N 2 2 359.474 0.584 20 0 FCADLP CCCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298849 1204826156 /nfs/dbraw/zinc/82/61/56/1204826156.db2.gz VKTQZRDJCDRBRH-HUUCEWRRSA-N 2 2 359.474 0.584 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)n1 ZINC001091737685 1204837972 /nfs/dbraw/zinc/83/79/72/1204837972.db2.gz HMABTPLLMSSEFN-SUMDDJOVSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)n1 ZINC001091737685 1204837973 /nfs/dbraw/zinc/83/79/73/1204837973.db2.gz HMABTPLLMSSEFN-SUMDDJOVSA-N 2 2 360.506 0.919 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC001086875470 1204858464 /nfs/dbraw/zinc/85/84/64/1204858464.db2.gz TYICUZDMSNJWIO-RRFJBIMHSA-N 2 2 365.478 0.585 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC001086875470 1204858465 /nfs/dbraw/zinc/85/84/65/1204858465.db2.gz TYICUZDMSNJWIO-RRFJBIMHSA-N 2 2 365.478 0.585 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC001086983900 1204878900 /nfs/dbraw/zinc/87/89/00/1204878900.db2.gz NQMXZYGATQOKDZ-JKSUJKDBSA-N 2 2 360.462 0.237 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2[NH2+]CCF)cn1 ZINC001086985093 1204879671 /nfs/dbraw/zinc/87/96/71/1204879671.db2.gz TWHJVDWSRCHRMC-XOKHGSTOSA-N 2 2 360.437 0.733 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2cncn2C)cn1 ZINC001086999310 1204888994 /nfs/dbraw/zinc/88/89/94/1204888994.db2.gz ADYOGERTNVXWEV-DLBZAZTESA-N 2 2 368.445 0.204 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2ccns2)cn1 ZINC001087012104 1204898421 /nfs/dbraw/zinc/89/84/21/1204898421.db2.gz FPWLCTHBGNLPDP-JKSUJKDBSA-N 2 2 371.470 0.858 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087049664 1204926102 /nfs/dbraw/zinc/92/61/02/1204926102.db2.gz TZPRYNHXQJBNQY-UKRRQHHQSA-N 2 2 361.450 0.124 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087060522 1204945063 /nfs/dbraw/zinc/94/50/63/1204945063.db2.gz KOADHRDSIFOSCO-GFOCRRMGSA-N 2 2 372.473 0.900 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087060522 1204945078 /nfs/dbraw/zinc/94/50/78/1204945078.db2.gz KOADHRDSIFOSCO-GFOCRRMGSA-N 2 2 372.473 0.900 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087063285 1204950910 /nfs/dbraw/zinc/95/09/10/1204950910.db2.gz QOVYSKPYXSAQPR-UKPHBRMFSA-N 2 2 371.441 0.518 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087058985 1204966593 /nfs/dbraw/zinc/96/65/93/1204966593.db2.gz KJRKABKCHOXJAX-GDBMZVCRSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087088288 1204976394 /nfs/dbraw/zinc/97/63/94/1204976394.db2.gz RMVFUXQKNQWPLD-NVXWUHKLSA-N 2 2 360.462 0.647 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1nncn1C ZINC001087088135 1204977029 /nfs/dbraw/zinc/97/70/29/1204977029.db2.gz LCMGHJABUFUQML-GZBFAFLISA-N 2 2 361.450 0.295 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H](C)c1noc(C)n1 ZINC001087101754 1204999088 /nfs/dbraw/zinc/99/90/88/1204999088.db2.gz ZVWMMVUWYHRJOC-FVQBIDKESA-N 2 2 365.478 0.988 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087103636 1205000520 /nfs/dbraw/zinc/00/05/20/1205000520.db2.gz RAMUVNLQFRJFDL-NVXWUHKLSA-N 2 2 360.462 0.578 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)n1 ZINC001091818718 1205041618 /nfs/dbraw/zinc/04/16/18/1205041618.db2.gz KWFUVUNJKUPIDT-QAPCUYQASA-N 2 2 358.490 0.724 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@]3(C)C2)n1 ZINC001091818718 1205041626 /nfs/dbraw/zinc/04/16/26/1205041626.db2.gz KWFUVUNJKUPIDT-QAPCUYQASA-N 2 2 358.490 0.724 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001091824531 1205045092 /nfs/dbraw/zinc/04/50/92/1205045092.db2.gz DLXNDLDNEXBUHA-DLBZAZTESA-N 2 2 360.506 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001091824531 1205045095 /nfs/dbraw/zinc/04/50/95/1205045095.db2.gz DLXNDLDNEXBUHA-DLBZAZTESA-N 2 2 360.506 0.890 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091897817 1205077104 /nfs/dbraw/zinc/07/71/04/1205077104.db2.gz IORPBMRQOWKXJR-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091897817 1205077109 /nfs/dbraw/zinc/07/71/09/1205077109.db2.gz IORPBMRQOWKXJR-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953479 1205090067 /nfs/dbraw/zinc/09/00/67/1205090067.db2.gz KWCFUODWTIVRKZ-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953479 1205090071 /nfs/dbraw/zinc/09/00/71/1205090071.db2.gz KWCFUODWTIVRKZ-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953479 1205090076 /nfs/dbraw/zinc/09/00/76/1205090076.db2.gz KWCFUODWTIVRKZ-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953479 1205090081 /nfs/dbraw/zinc/09/00/81/1205090081.db2.gz KWCFUODWTIVRKZ-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015804 1205114533 /nfs/dbraw/zinc/11/45/33/1205114533.db2.gz WMEKYDZBMFXTAH-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015804 1205114539 /nfs/dbraw/zinc/11/45/39/1205114539.db2.gz WMEKYDZBMFXTAH-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015804 1205114546 /nfs/dbraw/zinc/11/45/46/1205114546.db2.gz WMEKYDZBMFXTAH-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015804 1205114554 /nfs/dbraw/zinc/11/45/54/1205114554.db2.gz WMEKYDZBMFXTAH-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)o1 ZINC001092102000 1205158766 /nfs/dbraw/zinc/15/87/66/1205158766.db2.gz RVPYSSJOFGMKOA-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)o1 ZINC001092102000 1205158769 /nfs/dbraw/zinc/15/87/69/1205158769.db2.gz RVPYSSJOFGMKOA-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092135789 1205178409 /nfs/dbraw/zinc/17/84/09/1205178409.db2.gz LDCKGCGMXYOPDE-KHYOSLBOSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092135789 1205178415 /nfs/dbraw/zinc/17/84/15/1205178415.db2.gz LDCKGCGMXYOPDE-KHYOSLBOSA-N 2 2 359.474 0.649 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092242647 1205209794 /nfs/dbraw/zinc/20/97/94/1205209794.db2.gz VLALUANXHCDDER-QAPCUYQASA-N 2 2 357.462 0.425 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092242647 1205209797 /nfs/dbraw/zinc/20/97/97/1205209797.db2.gz VLALUANXHCDDER-QAPCUYQASA-N 2 2 357.462 0.425 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273807 1205221174 /nfs/dbraw/zinc/22/11/74/1205221174.db2.gz SKZHRFLECCLGMJ-IYOUNJFTSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273807 1205221179 /nfs/dbraw/zinc/22/11/79/1205221179.db2.gz SKZHRFLECCLGMJ-IYOUNJFTSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273807 1205221183 /nfs/dbraw/zinc/22/11/83/1205221183.db2.gz SKZHRFLECCLGMJ-IYOUNJFTSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273807 1205221188 /nfs/dbraw/zinc/22/11/88/1205221188.db2.gz SKZHRFLECCLGMJ-IYOUNJFTSA-N 2 2 363.462 0.448 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742292 1205349961 /nfs/dbraw/zinc/34/99/61/1205349961.db2.gz QYYIHERXKNSVPI-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742292 1205349963 /nfs/dbraw/zinc/34/99/63/1205349963.db2.gz QYYIHERXKNSVPI-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092825477 1205359180 /nfs/dbraw/zinc/35/91/80/1205359180.db2.gz VSJJXKUONWCESS-HUUCEWRRSA-N 2 2 353.430 0.924 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092825477 1205359184 /nfs/dbraw/zinc/35/91/84/1205359184.db2.gz VSJJXKUONWCESS-HUUCEWRRSA-N 2 2 353.430 0.924 20 0 FCADLP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)OC(C)(C)O1 ZINC001220468695 1224883369 /nfs/dbraw/zinc/88/33/69/1224883369.db2.gz DJKMMARUTBAHLZ-CRWXNKLISA-N 2 2 371.478 0.434 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520010 1224904014 /nfs/dbraw/zinc/90/40/14/1224904014.db2.gz JVTPNNHHABSJMO-OLMNPRSZSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520010 1224904020 /nfs/dbraw/zinc/90/40/20/1224904020.db2.gz JVTPNNHHABSJMO-OLMNPRSZSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520010 1224904028 /nfs/dbraw/zinc/90/40/28/1224904028.db2.gz JVTPNNHHABSJMO-OLMNPRSZSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520010 1224904032 /nfs/dbraw/zinc/90/40/32/1224904032.db2.gz JVTPNNHHABSJMO-OLMNPRSZSA-N 2 2 364.490 0.956 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001092859804 1205937900 /nfs/dbraw/zinc/93/79/00/1205937900.db2.gz QGEAKLNBIDBFHM-SNPRPXQTSA-N 2 2 373.461 0.167 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092979433 1205965384 /nfs/dbraw/zinc/96/53/84/1205965384.db2.gz FPBIULKJUOKCJA-RRCSTGOVSA-N 2 2 357.462 0.536 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092979433 1205965387 /nfs/dbraw/zinc/96/53/87/1205965387.db2.gz FPBIULKJUOKCJA-RRCSTGOVSA-N 2 2 357.462 0.536 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3nncn3C)C[C@H]1C)C2 ZINC001092966158 1205966966 /nfs/dbraw/zinc/96/69/66/1205966966.db2.gz SOZIKLSAJZTXQI-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3nncn3C)C[C@H]1C)C2 ZINC001092966158 1205966972 /nfs/dbraw/zinc/96/69/72/1205966972.db2.gz SOZIKLSAJZTXQI-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001093103214 1206019002 /nfs/dbraw/zinc/01/90/02/1206019002.db2.gz XSKUNFRTLPHOAG-HUUCEWRRSA-N 2 2 370.457 0.653 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001093103214 1206019006 /nfs/dbraw/zinc/01/90/06/1206019006.db2.gz XSKUNFRTLPHOAG-HUUCEWRRSA-N 2 2 370.457 0.653 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132833 1206032905 /nfs/dbraw/zinc/03/29/05/1206032905.db2.gz BFDBTVXXLMSDBM-HUUCEWRRSA-N 2 2 364.469 0.528 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132833 1206032909 /nfs/dbraw/zinc/03/29/09/1206032909.db2.gz BFDBTVXXLMSDBM-HUUCEWRRSA-N 2 2 364.469 0.528 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137350 1206035564 /nfs/dbraw/zinc/03/55/64/1206035564.db2.gz XCDPSNOIVZTJFG-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137350 1206035567 /nfs/dbraw/zinc/03/55/67/1206035567.db2.gz XCDPSNOIVZTJFG-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001093280478 1206071344 /nfs/dbraw/zinc/07/13/44/1206071344.db2.gz JCYQRJJEMXNNCJ-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691471 1206100812 /nfs/dbraw/zinc/10/08/12/1206100812.db2.gz XXXJYWPAUQMECB-FRFSOERESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691471 1206100816 /nfs/dbraw/zinc/10/08/16/1206100816.db2.gz XXXJYWPAUQMECB-FRFSOERESA-N 2 2 364.494 0.121 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1 ZINC001093691396 1206101573 /nfs/dbraw/zinc/10/15/73/1206101573.db2.gz TVLPOCHSHCQAOX-INMHGKMJSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1 ZINC001093691396 1206101576 /nfs/dbraw/zinc/10/15/76/1206101576.db2.gz TVLPOCHSHCQAOX-INMHGKMJSA-N 2 2 364.494 0.374 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093813710 1206134017 /nfs/dbraw/zinc/13/40/17/1206134017.db2.gz VUZHLJDUWOOJHG-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093813710 1206134018 /nfs/dbraw/zinc/13/40/18/1206134018.db2.gz VUZHLJDUWOOJHG-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093872765 1206139079 /nfs/dbraw/zinc/13/90/79/1206139079.db2.gz BVAJBWSFLXMUME-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C)nn1 ZINC001093874078 1206139693 /nfs/dbraw/zinc/13/96/93/1206139693.db2.gz WQVWCZCNFJLBPM-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)C2 ZINC001093875191 1206139722 /nfs/dbraw/zinc/13/97/22/1206139722.db2.gz DSSGHSOJPIIPIV-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)CC2 ZINC001093875191 1206139724 /nfs/dbraw/zinc/13/97/24/1206139724.db2.gz DSSGHSOJPIIPIV-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093894744 1206152403 /nfs/dbraw/zinc/15/24/03/1206152403.db2.gz RFFNSVRPCYGZRK-TZMCWYRMSA-N 2 2 369.429 0.254 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093951444 1206157305 /nfs/dbraw/zinc/15/73/05/1206157305.db2.gz JKDMBNIMWWGKSF-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001093993229 1206165233 /nfs/dbraw/zinc/16/52/33/1206165233.db2.gz IIJMYCMCAVKGBQ-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001093993229 1206165235 /nfs/dbraw/zinc/16/52/35/1206165235.db2.gz IIJMYCMCAVKGBQ-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094146492 1206193418 /nfs/dbraw/zinc/19/34/18/1206193418.db2.gz KSSSNGOKGHLUPH-FMKPAKJESA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001094166450 1206198000 /nfs/dbraw/zinc/19/80/00/1206198000.db2.gz COIQFBJICORBIW-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094170223 1206198718 /nfs/dbraw/zinc/19/87/18/1206198718.db2.gz TXLFDEKCVUOXPH-CHWSQXEVSA-N 2 2 358.450 0.169 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@H]2C)[nH]1 ZINC001094244574 1206210107 /nfs/dbraw/zinc/21/01/07/1206210107.db2.gz YUULWCSSKCLOMF-MZMPZRCHSA-N 2 2 371.489 0.995 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094254766 1206212889 /nfs/dbraw/zinc/21/28/89/1206212889.db2.gz KNEHGKIGGBTOOK-UKRRQHHQSA-N 2 2 357.462 0.773 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568355 1224936717 /nfs/dbraw/zinc/93/67/17/1224936717.db2.gz ITPFRQNNZKRESZ-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568355 1224936722 /nfs/dbraw/zinc/93/67/22/1224936722.db2.gz ITPFRQNNZKRESZ-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568355 1224936729 /nfs/dbraw/zinc/93/67/29/1224936729.db2.gz ITPFRQNNZKRESZ-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568355 1224936735 /nfs/dbraw/zinc/93/67/35/1224936735.db2.gz ITPFRQNNZKRESZ-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094451263 1206228811 /nfs/dbraw/zinc/22/88/11/1206228811.db2.gz USHLCRNRORDPAY-SPYBWZPUSA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094451263 1206228812 /nfs/dbraw/zinc/22/88/12/1206228812.db2.gz USHLCRNRORDPAY-SPYBWZPUSA-N 2 2 359.474 0.552 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094515343 1206235237 /nfs/dbraw/zinc/23/52/37/1206235237.db2.gz DZCDQXRBNXOSQJ-MXHNKVEKSA-N 2 2 373.501 0.973 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094515343 1206235241 /nfs/dbraw/zinc/23/52/41/1206235241.db2.gz DZCDQXRBNXOSQJ-MXHNKVEKSA-N 2 2 373.501 0.973 20 0 FCADLP O=C1C[C@@H]([N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CCN1C1CC1 ZINC001172014718 1206254335 /nfs/dbraw/zinc/25/43/35/1206254335.db2.gz NXKWRCSRALEWMG-HNNXBMFYSA-N 2 2 355.446 0.882 20 0 FCADLP O=C1C[C@@H]([N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CCN1C1CC1 ZINC001172014718 1206254340 /nfs/dbraw/zinc/25/43/40/1206254340.db2.gz NXKWRCSRALEWMG-HNNXBMFYSA-N 2 2 355.446 0.882 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1=O ZINC001172041628 1206255941 /nfs/dbraw/zinc/25/59/41/1206255941.db2.gz SVQLGQXNRJVXJD-MRXNPFEDSA-N 2 2 370.457 0.705 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1=O ZINC001172041628 1206255944 /nfs/dbraw/zinc/25/59/44/1206255944.db2.gz SVQLGQXNRJVXJD-MRXNPFEDSA-N 2 2 370.457 0.705 20 0 FCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137283 1206257488 /nfs/dbraw/zinc/25/74/88/1206257488.db2.gz UZAXRFRAWNYCAI-NXEWRWPSSA-N 2 2 367.534 0.909 20 0 FCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137283 1206257490 /nfs/dbraw/zinc/25/74/90/1206257490.db2.gz UZAXRFRAWNYCAI-NXEWRWPSSA-N 2 2 367.534 0.909 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137283 1206257495 /nfs/dbraw/zinc/25/74/95/1206257495.db2.gz UZAXRFRAWNYCAI-NXEWRWPSSA-N 2 2 367.534 0.909 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137283 1206257498 /nfs/dbraw/zinc/25/74/98/1206257498.db2.gz UZAXRFRAWNYCAI-NXEWRWPSSA-N 2 2 367.534 0.909 20 0 FCADLP [NH3+]Cc1ccc(Nc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001175966928 1206309681 /nfs/dbraw/zinc/30/96/81/1206309681.db2.gz VJQJIDTXSSZOOC-ATNYBXOESA-N 2 2 371.397 0.245 20 0 FCADLP Cc1ccc(N(C(=O)Cc2c[nH]c[nH+]2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001176828598 1206322010 /nfs/dbraw/zinc/32/20/10/1206322010.db2.gz BOMXLVASKIMWNA-QAPCUYQASA-N 2 2 356.430 0.995 20 0 FCADLP C[C@H](C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)n1cc[nH+]c1 ZINC001177922508 1206350300 /nfs/dbraw/zinc/35/03/00/1206350300.db2.gz MFMLBRXHFUFZRF-FXUDXRNXSA-N 2 2 356.430 0.892 20 0 FCADLP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752372 1206365007 /nfs/dbraw/zinc/36/50/07/1206365007.db2.gz OOMCAUAOFYRIHI-CHWSQXEVSA-N 2 2 364.450 0.235 20 0 FCADLP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752372 1206365010 /nfs/dbraw/zinc/36/50/10/1206365010.db2.gz OOMCAUAOFYRIHI-CHWSQXEVSA-N 2 2 364.450 0.235 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581780 1206396232 /nfs/dbraw/zinc/39/62/32/1206396232.db2.gz ZSVDMPVVPWWUSN-QFBILLFUSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581780 1206396233 /nfs/dbraw/zinc/39/62/33/1206396233.db2.gz ZSVDMPVVPWWUSN-QFBILLFUSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)C1 ZINC001180757833 1206398402 /nfs/dbraw/zinc/39/84/02/1206398402.db2.gz HWFLWYNPGWBAFA-MRXNPFEDSA-N 2 2 371.445 0.030 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)C1 ZINC001180757833 1206398406 /nfs/dbraw/zinc/39/84/06/1206398406.db2.gz HWFLWYNPGWBAFA-MRXNPFEDSA-N 2 2 371.445 0.030 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001180758525 1206398990 /nfs/dbraw/zinc/39/89/90/1206398990.db2.gz HWGUVLPOBHHJKF-LBPRGKRZSA-N 2 2 373.379 0.911 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001180758525 1206398991 /nfs/dbraw/zinc/39/89/91/1206398991.db2.gz HWGUVLPOBHHJKF-LBPRGKRZSA-N 2 2 373.379 0.911 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COCC3CC3)CC2)C1=O ZINC001182477021 1206438367 /nfs/dbraw/zinc/43/83/67/1206438367.db2.gz PKYIJRUYMVEVTL-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COCC3CC3)CC2)C1=O ZINC001182477021 1206438370 /nfs/dbraw/zinc/43/83/70/1206438370.db2.gz PKYIJRUYMVEVTL-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCc1ccco1 ZINC001183403863 1206452843 /nfs/dbraw/zinc/45/28/43/1206452843.db2.gz ZPNDZWDURSXKRO-BPLDGKMQSA-N 2 2 357.414 0.613 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCc3ccccn3)CC2)C1 ZINC001186106376 1206493080 /nfs/dbraw/zinc/49/30/80/1206493080.db2.gz NETHJJMACPILPC-INIZCTEOSA-N 2 2 360.458 0.263 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCc3ccccn3)CC2)C1 ZINC001186106376 1206493081 /nfs/dbraw/zinc/49/30/81/1206493081.db2.gz NETHJJMACPILPC-INIZCTEOSA-N 2 2 360.458 0.263 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001186105247 1206493261 /nfs/dbraw/zinc/49/32/61/1206493261.db2.gz AMKVTUHWBAXAQQ-HNNXBMFYSA-N 2 2 360.458 0.950 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)C1 ZINC001186105247 1206493264 /nfs/dbraw/zinc/49/32/64/1206493264.db2.gz AMKVTUHWBAXAQQ-HNNXBMFYSA-N 2 2 360.458 0.950 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001220656237 1224994891 /nfs/dbraw/zinc/99/48/91/1224994891.db2.gz RGTXXQYGWPSPRS-SFHVURJKSA-N 3 2 353.470 0.985 20 0 FCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c[nH]1 ZINC001188192084 1207432060 /nfs/dbraw/zinc/43/20/60/1207432060.db2.gz LTWULZGWNIVLEZ-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c[nH]1 ZINC001188192084 1207432064 /nfs/dbraw/zinc/43/20/64/1207432064.db2.gz LTWULZGWNIVLEZ-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP COCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189012510 1207495585 /nfs/dbraw/zinc/49/55/85/1207495585.db2.gz NBTQKOKYKROQIT-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP COCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189012510 1207495590 /nfs/dbraw/zinc/49/55/90/1207495590.db2.gz NBTQKOKYKROQIT-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP COCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189012510 1207495597 /nfs/dbraw/zinc/49/55/97/1207495597.db2.gz NBTQKOKYKROQIT-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP COCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189012510 1207495604 /nfs/dbraw/zinc/49/56/04/1207495604.db2.gz NBTQKOKYKROQIT-BHYGNILZSA-N 2 2 363.462 0.026 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001189433579 1207549582 /nfs/dbraw/zinc/54/95/82/1207549582.db2.gz QOMLLAQAETXZPU-DOTOQJQBSA-N 2 2 357.462 0.833 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+](Cc3cnnn3C)C[C@H]21 ZINC001189433579 1207549588 /nfs/dbraw/zinc/54/95/88/1207549588.db2.gz QOMLLAQAETXZPU-DOTOQJQBSA-N 2 2 357.462 0.833 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786168 1207599720 /nfs/dbraw/zinc/59/97/20/1207599720.db2.gz ABVNERSAGQGNKJ-GOEBONIOSA-N 2 2 362.478 0.203 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786168 1207599725 /nfs/dbraw/zinc/59/97/25/1207599725.db2.gz ABVNERSAGQGNKJ-GOEBONIOSA-N 2 2 362.478 0.203 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1)C1CC1 ZINC001189953970 1207629035 /nfs/dbraw/zinc/62/90/35/1207629035.db2.gz QAZBALBKPRTKJA-WMLDXEAASA-N 2 2 359.474 0.804 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1)C1CC1 ZINC001189953970 1207629040 /nfs/dbraw/zinc/62/90/40/1207629040.db2.gz QAZBALBKPRTKJA-WMLDXEAASA-N 2 2 359.474 0.804 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190184531 1207653647 /nfs/dbraw/zinc/65/36/47/1207653647.db2.gz GAZTZRUUTNIVBH-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190184531 1207653654 /nfs/dbraw/zinc/65/36/54/1207653654.db2.gz GAZTZRUUTNIVBH-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001190177553 1207658402 /nfs/dbraw/zinc/65/84/02/1207658402.db2.gz OSKFZKLWPHEUMN-HYVNUMGLSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001190177553 1207658407 /nfs/dbraw/zinc/65/84/07/1207658407.db2.gz OSKFZKLWPHEUMN-HYVNUMGLSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001190239552 1207667051 /nfs/dbraw/zinc/66/70/51/1207667051.db2.gz VATBJWBJRHUGED-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001190239552 1207667055 /nfs/dbraw/zinc/66/70/55/1207667055.db2.gz VATBJWBJRHUGED-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001190239552 1207667059 /nfs/dbraw/zinc/66/70/59/1207667059.db2.gz VATBJWBJRHUGED-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001190239552 1207667063 /nfs/dbraw/zinc/66/70/63/1207667063.db2.gz VATBJWBJRHUGED-QLFBSQMISA-N 2 2 363.462 0.794 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190262495 1207670123 /nfs/dbraw/zinc/67/01/23/1207670123.db2.gz DSYVSELPRFWUIJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190262495 1207670126 /nfs/dbraw/zinc/67/01/26/1207670126.db2.gz DSYVSELPRFWUIJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001190262495 1207670130 /nfs/dbraw/zinc/67/01/30/1207670130.db2.gz DSYVSELPRFWUIJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001190262495 1207670132 /nfs/dbraw/zinc/67/01/32/1207670132.db2.gz DSYVSELPRFWUIJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757023 1207717400 /nfs/dbraw/zinc/71/74/00/1207717400.db2.gz ZJNJHYAFQCQYSK-ARFHVFGLSA-N 2 2 363.462 0.199 20 0 FCADLP CC(=O)NCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757023 1207717406 /nfs/dbraw/zinc/71/74/06/1207717406.db2.gz ZJNJHYAFQCQYSK-ARFHVFGLSA-N 2 2 363.462 0.199 20 0 FCADLP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757023 1207717410 /nfs/dbraw/zinc/71/74/10/1207717410.db2.gz ZJNJHYAFQCQYSK-ARFHVFGLSA-N 2 2 363.462 0.199 20 0 FCADLP CC(=O)NCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757023 1207717414 /nfs/dbraw/zinc/71/74/14/1207717414.db2.gz ZJNJHYAFQCQYSK-ARFHVFGLSA-N 2 2 363.462 0.199 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900007 1207732309 /nfs/dbraw/zinc/73/23/09/1207732309.db2.gz MUOXOVPNNKCGFJ-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900007 1207732319 /nfs/dbraw/zinc/73/23/19/1207732319.db2.gz MUOXOVPNNKCGFJ-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900007 1207732328 /nfs/dbraw/zinc/73/23/28/1207732328.db2.gz MUOXOVPNNKCGFJ-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900007 1207732337 /nfs/dbraw/zinc/73/23/37/1207732337.db2.gz MUOXOVPNNKCGFJ-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897972 1207737091 /nfs/dbraw/zinc/73/70/91/1207737091.db2.gz AEIBUQNVLLJCOB-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897972 1207737100 /nfs/dbraw/zinc/73/71/00/1207737100.db2.gz AEIBUQNVLLJCOB-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897972 1207737109 /nfs/dbraw/zinc/73/71/09/1207737109.db2.gz AEIBUQNVLLJCOB-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897972 1207737114 /nfs/dbraw/zinc/73/71/14/1207737114.db2.gz AEIBUQNVLLJCOB-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1c[nH]c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001191095136 1207758837 /nfs/dbraw/zinc/75/88/37/1207758837.db2.gz BPAQNSVUTYNZJA-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP Cc1c[nH]c(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001191095136 1207758841 /nfs/dbraw/zinc/75/88/41/1207758841.db2.gz BPAQNSVUTYNZJA-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469128 1207792805 /nfs/dbraw/zinc/79/28/05/1207792805.db2.gz SFNHLZAJVKVKSK-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469128 1207792807 /nfs/dbraw/zinc/79/28/07/1207792807.db2.gz SFNHLZAJVKVKSK-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001192580700 1207838329 /nfs/dbraw/zinc/83/83/29/1207838329.db2.gz KPYGIBBFKZUIHU-BZUAXINKSA-N 2 2 362.405 0.376 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001192580700 1207838330 /nfs/dbraw/zinc/83/83/30/1207838330.db2.gz KPYGIBBFKZUIHU-BZUAXINKSA-N 2 2 362.405 0.376 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774820 1207888432 /nfs/dbraw/zinc/88/84/32/1207888432.db2.gz VCHRICSYWCMXER-FVQBIDKESA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774820 1207888434 /nfs/dbraw/zinc/88/84/34/1207888434.db2.gz VCHRICSYWCMXER-FVQBIDKESA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805281 1207891183 /nfs/dbraw/zinc/89/11/83/1207891183.db2.gz KOTNMMDVMDFHDF-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805281 1207891184 /nfs/dbraw/zinc/89/11/84/1207891184.db2.gz KOTNMMDVMDFHDF-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805281 1207891187 /nfs/dbraw/zinc/89/11/87/1207891187.db2.gz KOTNMMDVMDFHDF-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805281 1207891189 /nfs/dbraw/zinc/89/11/89/1207891189.db2.gz KOTNMMDVMDFHDF-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193901111 1207897894 /nfs/dbraw/zinc/89/78/94/1207897894.db2.gz CFJZMQYVPGLLKF-BFYDXBDKSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193901111 1207897897 /nfs/dbraw/zinc/89/78/97/1207897897.db2.gz CFJZMQYVPGLLKF-BFYDXBDKSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193901111 1207897898 /nfs/dbraw/zinc/89/78/98/1207897898.db2.gz CFJZMQYVPGLLKF-BFYDXBDKSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193901111 1207897900 /nfs/dbraw/zinc/89/79/00/1207897900.db2.gz CFJZMQYVPGLLKF-BFYDXBDKSA-N 2 2 364.494 0.142 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194077354 1207914824 /nfs/dbraw/zinc/91/48/24/1207914824.db2.gz ZLYJWRONFLZTJQ-HZPDHXFCSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194077354 1207914829 /nfs/dbraw/zinc/91/48/29/1207914829.db2.gz ZLYJWRONFLZTJQ-HZPDHXFCSA-N 2 2 366.462 0.003 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243764 1207926371 /nfs/dbraw/zinc/92/63/71/1207926371.db2.gz CVDONESQFSFKQX-BMGDILEWSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243764 1207926378 /nfs/dbraw/zinc/92/63/78/1207926378.db2.gz CVDONESQFSFKQX-BMGDILEWSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243764 1207926381 /nfs/dbraw/zinc/92/63/81/1207926381.db2.gz CVDONESQFSFKQX-BMGDILEWSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243764 1207926383 /nfs/dbraw/zinc/92/63/83/1207926383.db2.gz CVDONESQFSFKQX-BMGDILEWSA-N 2 2 364.490 0.801 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007185 1207989304 /nfs/dbraw/zinc/98/93/04/1207989304.db2.gz ZEGZQMFSRYXUDZ-USXIJHARSA-N 2 2 361.490 0.963 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007185 1207989306 /nfs/dbraw/zinc/98/93/06/1207989306.db2.gz ZEGZQMFSRYXUDZ-USXIJHARSA-N 2 2 361.490 0.963 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549163 1208025249 /nfs/dbraw/zinc/02/52/49/1208025249.db2.gz RJTFDVZZTQWCND-ARFHVFGLSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549163 1208025253 /nfs/dbraw/zinc/02/52/53/1208025253.db2.gz RJTFDVZZTQWCND-ARFHVFGLSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549163 1208025258 /nfs/dbraw/zinc/02/52/58/1208025258.db2.gz RJTFDVZZTQWCND-ARFHVFGLSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001195549163 1208025261 /nfs/dbraw/zinc/02/52/61/1208025261.db2.gz RJTFDVZZTQWCND-ARFHVFGLSA-N 2 2 368.522 0.184 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661272 1208034243 /nfs/dbraw/zinc/03/42/43/1208034243.db2.gz LDOQNVIKHAZVCS-HZPDHXFCSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661272 1208034246 /nfs/dbraw/zinc/03/42/46/1208034246.db2.gz LDOQNVIKHAZVCS-HZPDHXFCSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195708024 1208035854 /nfs/dbraw/zinc/03/58/54/1208035854.db2.gz CKCLDJPPPGJARN-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195708024 1208035857 /nfs/dbraw/zinc/03/58/57/1208035857.db2.gz CKCLDJPPPGJARN-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708456 1208036781 /nfs/dbraw/zinc/03/67/81/1208036781.db2.gz OGEOLXAQFRLGFN-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708456 1208036784 /nfs/dbraw/zinc/03/67/84/1208036784.db2.gz OGEOLXAQFRLGFN-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001195893960 1208043875 /nfs/dbraw/zinc/04/38/75/1208043875.db2.gz POWHUGMDFQURHJ-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC001195893960 1208043881 /nfs/dbraw/zinc/04/38/81/1208043881.db2.gz POWHUGMDFQURHJ-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)NC[C@@H]3CCOC3)CC2)CC[NH+]1C ZINC001195893960 1208043885 /nfs/dbraw/zinc/04/38/85/1208043885.db2.gz POWHUGMDFQURHJ-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC[C@@H]3CCOC3)CC2)CC[NH+]1C ZINC001195893960 1208043890 /nfs/dbraw/zinc/04/38/90/1208043890.db2.gz POWHUGMDFQURHJ-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001195900655 1208044600 /nfs/dbraw/zinc/04/46/00/1208044600.db2.gz OPMCFSSSOVNEKZ-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001195900655 1208044603 /nfs/dbraw/zinc/04/46/03/1208044603.db2.gz OPMCFSSSOVNEKZ-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)CC2)CC[NH+]1C ZINC001195900655 1208044608 /nfs/dbraw/zinc/04/46/08/1208044608.db2.gz OPMCFSSSOVNEKZ-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC)CC2)CC[NH+]1C ZINC001195900655 1208044610 /nfs/dbraw/zinc/04/46/10/1208044610.db2.gz OPMCFSSSOVNEKZ-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@H]1O)C2 ZINC001196167718 1208062832 /nfs/dbraw/zinc/06/28/32/1208062832.db2.gz FXJLFJDXDAQHNY-KBAYOESNSA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@H]1O)C2 ZINC001196167718 1208062834 /nfs/dbraw/zinc/06/28/34/1208062834.db2.gz FXJLFJDXDAQHNY-KBAYOESNSA-N 2 2 362.474 0.342 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222523 1208068559 /nfs/dbraw/zinc/06/85/59/1208068559.db2.gz QOWORJHKOGXXOO-ARFHVFGLSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222523 1208068564 /nfs/dbraw/zinc/06/85/64/1208068564.db2.gz QOWORJHKOGXXOO-ARFHVFGLSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222523 1208068568 /nfs/dbraw/zinc/06/85/68/1208068568.db2.gz QOWORJHKOGXXOO-ARFHVFGLSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222523 1208068571 /nfs/dbraw/zinc/06/85/71/1208068571.db2.gz QOWORJHKOGXXOO-ARFHVFGLSA-N 2 2 370.538 0.381 20 0 FCADLP CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001196593930 1208092995 /nfs/dbraw/zinc/09/29/95/1208092995.db2.gz DPHKADKPJKLKDB-MSOLQXFVSA-N 2 2 369.506 0.437 20 0 FCADLP CCOCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001196593930 1208093001 /nfs/dbraw/zinc/09/30/01/1208093001.db2.gz DPHKADKPJKLKDB-MSOLQXFVSA-N 2 2 369.506 0.437 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919285 1208118078 /nfs/dbraw/zinc/11/80/78/1208118078.db2.gz JYNLSQDGVFXSCD-FVQBIDKESA-N 2 2 365.478 0.048 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919285 1208118082 /nfs/dbraw/zinc/11/80/82/1208118082.db2.gz JYNLSQDGVFXSCD-FVQBIDKESA-N 2 2 365.478 0.048 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196945435 1208124162 /nfs/dbraw/zinc/12/41/62/1208124162.db2.gz COPJAEOEQCJJJS-QZTJIDSGSA-N 2 2 363.458 0.079 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001196945435 1208124163 /nfs/dbraw/zinc/12/41/63/1208124163.db2.gz COPJAEOEQCJJJS-QZTJIDSGSA-N 2 2 363.458 0.079 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC001196954224 1208125778 /nfs/dbraw/zinc/12/57/78/1208125778.db2.gz TXQDEWRHIYJKLK-RTBURBONSA-N 2 2 361.486 0.633 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC001196954224 1208125779 /nfs/dbraw/zinc/12/57/79/1208125779.db2.gz TXQDEWRHIYJKLK-RTBURBONSA-N 2 2 361.486 0.633 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139688 1208137900 /nfs/dbraw/zinc/13/79/00/1208137900.db2.gz ODJBMCMEWKXMAQ-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139688 1208137905 /nfs/dbraw/zinc/13/79/05/1208137905.db2.gz ODJBMCMEWKXMAQ-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294497 1208153734 /nfs/dbraw/zinc/15/37/34/1208153734.db2.gz AAMLFWJCXXBDAA-DJIMGWMZSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294497 1208153740 /nfs/dbraw/zinc/15/37/40/1208153740.db2.gz AAMLFWJCXXBDAA-DJIMGWMZSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294497 1208153744 /nfs/dbraw/zinc/15/37/44/1208153744.db2.gz AAMLFWJCXXBDAA-DJIMGWMZSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294497 1208153746 /nfs/dbraw/zinc/15/37/46/1208153746.db2.gz AAMLFWJCXXBDAA-DJIMGWMZSA-N 2 2 369.473 0.768 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001197492926 1208167116 /nfs/dbraw/zinc/16/71/16/1208167116.db2.gz BDAQGQANXOYIBK-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001197492926 1208167120 /nfs/dbraw/zinc/16/71/20/1208167120.db2.gz BDAQGQANXOYIBK-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001197492926 1208167123 /nfs/dbraw/zinc/16/71/23/1208167123.db2.gz BDAQGQANXOYIBK-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O ZINC001197492926 1208167125 /nfs/dbraw/zinc/16/71/25/1208167125.db2.gz BDAQGQANXOYIBK-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220740365 1225046806 /nfs/dbraw/zinc/04/68/06/1225046806.db2.gz GHVFQWYHFGFKGX-MSOLQXFVSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001220740365 1225046816 /nfs/dbraw/zinc/04/68/16/1225046816.db2.gz GHVFQWYHFGFKGX-MSOLQXFVSA-N 2 2 365.522 0.984 20 0 FCADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791619 1208196806 /nfs/dbraw/zinc/19/68/06/1208196806.db2.gz FSWHPGSHNLGXMY-JCURWCKSSA-N 2 2 371.428 0.765 20 0 FCADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791619 1208196807 /nfs/dbraw/zinc/19/68/07/1208196807.db2.gz FSWHPGSHNLGXMY-JCURWCKSSA-N 2 2 371.428 0.765 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)C(C)C ZINC001197792998 1208197493 /nfs/dbraw/zinc/19/74/93/1208197493.db2.gz VOAMHAHTJUOMIB-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1)C(C)C ZINC001197792998 1208197495 /nfs/dbraw/zinc/19/74/95/1208197495.db2.gz VOAMHAHTJUOMIB-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C(C)C ZINC001197792998 1208197498 /nfs/dbraw/zinc/19/74/98/1208197498.db2.gz VOAMHAHTJUOMIB-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C(C)C ZINC001197792998 1208197501 /nfs/dbraw/zinc/19/75/01/1208197501.db2.gz VOAMHAHTJUOMIB-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197941357 1208207675 /nfs/dbraw/zinc/20/76/75/1208207675.db2.gz KPHUAXNSNHLRKW-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197941357 1208207679 /nfs/dbraw/zinc/20/76/79/1208207679.db2.gz KPHUAXNSNHLRKW-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001197950157 1208208453 /nfs/dbraw/zinc/20/84/53/1208208453.db2.gz VXMGEMGMTUQRKP-IAGOWNOFSA-N 2 2 362.474 0.179 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001197950157 1208208457 /nfs/dbraw/zinc/20/84/57/1208208457.db2.gz VXMGEMGMTUQRKP-IAGOWNOFSA-N 2 2 362.474 0.179 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001197948981 1208208713 /nfs/dbraw/zinc/20/87/13/1208208713.db2.gz OUXMFGFFXUZYFN-OWCLPIDISA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001197948981 1208208715 /nfs/dbraw/zinc/20/87/15/1208208715.db2.gz OUXMFGFFXUZYFN-OWCLPIDISA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037962 1208216116 /nfs/dbraw/zinc/21/61/16/1208216116.db2.gz DKXFCLFKNFJWLK-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037962 1208216118 /nfs/dbraw/zinc/21/61/18/1208216118.db2.gz DKXFCLFKNFJWLK-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037962 1208216121 /nfs/dbraw/zinc/21/61/21/1208216121.db2.gz DKXFCLFKNFJWLK-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037962 1208216125 /nfs/dbraw/zinc/21/61/25/1208216125.db2.gz DKXFCLFKNFJWLK-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729568 1208284209 /nfs/dbraw/zinc/28/42/09/1208284209.db2.gz STCIHHQEASMMFS-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729568 1208284214 /nfs/dbraw/zinc/28/42/14/1208284214.db2.gz STCIHHQEASMMFS-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)c1 ZINC001199004389 1208311688 /nfs/dbraw/zinc/31/16/88/1208311688.db2.gz PGZJDWSAZSHWMZ-HZPDHXFCSA-N 2 2 371.428 0.805 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)c1 ZINC001199004389 1208311691 /nfs/dbraw/zinc/31/16/91/1208311691.db2.gz PGZJDWSAZSHWMZ-HZPDHXFCSA-N 2 2 371.428 0.805 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104347 1208318563 /nfs/dbraw/zinc/31/85/63/1208318563.db2.gz KUNCCUXEBBQKJA-BRWVUGGUSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104347 1208318566 /nfs/dbraw/zinc/31/85/66/1208318566.db2.gz KUNCCUXEBBQKJA-BRWVUGGUSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104347 1208318570 /nfs/dbraw/zinc/31/85/70/1208318570.db2.gz KUNCCUXEBBQKJA-BRWVUGGUSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001199112028 1208322598 /nfs/dbraw/zinc/32/25/98/1208322598.db2.gz XWPCSPBUUAJIGX-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001199112028 1208322599 /nfs/dbraw/zinc/32/25/99/1208322599.db2.gz XWPCSPBUUAJIGX-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001199112028 1208322600 /nfs/dbraw/zinc/32/26/00/1208322600.db2.gz XWPCSPBUUAJIGX-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001199112028 1208322601 /nfs/dbraw/zinc/32/26/01/1208322601.db2.gz XWPCSPBUUAJIGX-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1)C1CC1 ZINC001199345003 1208338711 /nfs/dbraw/zinc/33/87/11/1208338711.db2.gz IQFDAHGVEUHICN-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1)C1CC1 ZINC001199345003 1208338714 /nfs/dbraw/zinc/33/87/14/1208338714.db2.gz IQFDAHGVEUHICN-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000867315136 1208341504 /nfs/dbraw/zinc/34/15/04/1208341504.db2.gz WUTNZYFYXXVDOS-ORUDLHBZSA-N 2 2 359.470 0.758 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000867315136 1208341507 /nfs/dbraw/zinc/34/15/07/1208341507.db2.gz WUTNZYFYXXVDOS-ORUDLHBZSA-N 2 2 359.470 0.758 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001199398524 1208349040 /nfs/dbraw/zinc/34/90/40/1208349040.db2.gz UBIAVKJURYJDMT-BRWVUGGUSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001199405775 1208349695 /nfs/dbraw/zinc/34/96/95/1208349695.db2.gz KUEGUYQVMICZFM-RCCFBDPRSA-N 2 2 358.442 0.038 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1O ZINC001199405775 1208349698 /nfs/dbraw/zinc/34/96/98/1208349698.db2.gz KUEGUYQVMICZFM-RCCFBDPRSA-N 2 2 358.442 0.038 20 0 FCADLP COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406634 1208349837 /nfs/dbraw/zinc/34/98/37/1208349837.db2.gz UYSGRESOPXKFBJ-KZNAEPCWSA-N 2 2 358.442 0.822 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001220769544 1225063050 /nfs/dbraw/zinc/06/30/50/1225063050.db2.gz OKOCPKAVRLUUCQ-IRXDYDNUSA-N 2 2 356.426 0.363 20 0 FCADLP COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001273848937 1208432757 /nfs/dbraw/zinc/43/27/57/1208432757.db2.gz WUJLYRFDXPFAFJ-ZWKOTPCHSA-N 2 2 368.522 0.166 20 0 FCADLP COCCOC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001273848937 1208432760 /nfs/dbraw/zinc/43/27/60/1208432760.db2.gz WUJLYRFDXPFAFJ-ZWKOTPCHSA-N 2 2 368.522 0.166 20 0 FCADLP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125396 1208447471 /nfs/dbraw/zinc/44/74/71/1208447471.db2.gz VMEPIKAPRLWGPU-BZUAXINKSA-N 2 2 366.462 0.118 20 0 FCADLP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125396 1208447475 /nfs/dbraw/zinc/44/74/75/1208447475.db2.gz VMEPIKAPRLWGPU-BZUAXINKSA-N 2 2 366.462 0.118 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[N@@H+]4CCOCCO)ccn12 ZINC001110562410 1208451932 /nfs/dbraw/zinc/45/19/32/1208451932.db2.gz OZJGIAMQVXQNOK-ZACQAIPSSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[N@H+]4CCOCCO)ccn12 ZINC001110562410 1208451933 /nfs/dbraw/zinc/45/19/33/1208451933.db2.gz OZJGIAMQVXQNOK-ZACQAIPSSA-N 2 2 358.442 0.987 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826139 1225090396 /nfs/dbraw/zinc/09/03/96/1225090396.db2.gz OMTRPCFNLBOBGE-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826139 1225090402 /nfs/dbraw/zinc/09/04/02/1225090402.db2.gz OMTRPCFNLBOBGE-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220826139 1225090408 /nfs/dbraw/zinc/09/04/08/1225090408.db2.gz OMTRPCFNLBOBGE-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220826139 1225090415 /nfs/dbraw/zinc/09/04/15/1225090415.db2.gz OMTRPCFNLBOBGE-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001489608017 1208964413 /nfs/dbraw/zinc/96/44/13/1208964413.db2.gz SRGZRIRHCXMUTG-BMFZPTHFSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001489608017 1208964415 /nfs/dbraw/zinc/96/44/15/1208964415.db2.gz SRGZRIRHCXMUTG-BMFZPTHFSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001489608017 1208964418 /nfs/dbraw/zinc/96/44/18/1208964418.db2.gz SRGZRIRHCXMUTG-BMFZPTHFSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001489608017 1208964422 /nfs/dbraw/zinc/96/44/22/1208964422.db2.gz SRGZRIRHCXMUTG-BMFZPTHFSA-N 2 2 365.478 0.008 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](C[C@](O)(C(N)=O)c3ccccc3)CC2)c1 ZINC000851752738 1209519410 /nfs/dbraw/zinc/51/94/10/1209519410.db2.gz LUFRDTJUYWXLMW-LJQANCHMSA-N 2 2 356.426 0.585 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1)C1CC1 ZINC001110661717 1209586610 /nfs/dbraw/zinc/58/66/10/1209586610.db2.gz AWOXIDLJBLQEBQ-VXNCWWDNSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1)C1CC1 ZINC001110661717 1209586615 /nfs/dbraw/zinc/58/66/15/1209586615.db2.gz AWOXIDLJBLQEBQ-VXNCWWDNSA-N 2 2 362.518 0.964 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110662198 1209587599 /nfs/dbraw/zinc/58/75/99/1209587599.db2.gz KGCQOUSTKSSGLK-XLMAVXFVSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110662198 1209587600 /nfs/dbraw/zinc/58/76/00/1209587600.db2.gz KGCQOUSTKSSGLK-XLMAVXFVSA-N 2 2 366.506 0.201 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110663058 1209588716 /nfs/dbraw/zinc/58/87/16/1209588716.db2.gz WGKNBAZFIMKQKC-VXIBKDFQSA-N 2 2 362.518 0.917 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110663058 1209588722 /nfs/dbraw/zinc/58/87/22/1209588722.db2.gz WGKNBAZFIMKQKC-VXIBKDFQSA-N 2 2 362.518 0.917 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)CCC1 ZINC001110664331 1209590281 /nfs/dbraw/zinc/59/02/81/1209590281.db2.gz LRQZNQXCCBXPAF-OAGGEKHMSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)CCC1 ZINC001110664331 1209590286 /nfs/dbraw/zinc/59/02/86/1209590286.db2.gz LRQZNQXCCBXPAF-OAGGEKHMSA-N 2 2 364.490 0.051 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673933 1209608777 /nfs/dbraw/zinc/60/87/77/1209608777.db2.gz ZLEOIZZUZUEICA-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673933 1209608781 /nfs/dbraw/zinc/60/87/81/1209608781.db2.gz ZLEOIZZUZUEICA-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673933 1209608785 /nfs/dbraw/zinc/60/87/85/1209608785.db2.gz ZLEOIZZUZUEICA-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740859 1209777766 /nfs/dbraw/zinc/77/77/66/1209777766.db2.gz HBJLGTWQHKFLGJ-AHCXZYCDSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740859 1209777768 /nfs/dbraw/zinc/77/77/68/1209777768.db2.gz HBJLGTWQHKFLGJ-AHCXZYCDSA-N 2 2 362.474 0.830 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220969177 1225164759 /nfs/dbraw/zinc/16/47/59/1225164759.db2.gz RLNODEAJNDLHKS-OAHLLOKOSA-N 2 2 374.445 0.332 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000860030156 1209837062 /nfs/dbraw/zinc/83/70/62/1209837062.db2.gz KHYDEGAWNZGXGL-FQEVSTJZSA-N 2 2 361.486 0.936 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110817257 1209909872 /nfs/dbraw/zinc/90/98/72/1209909872.db2.gz UWCMSVYBCDYJLC-SVGFKBNWSA-N 2 2 359.474 0.828 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110817257 1209909875 /nfs/dbraw/zinc/90/98/75/1209909875.db2.gz UWCMSVYBCDYJLC-SVGFKBNWSA-N 2 2 359.474 0.828 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985765 1225174885 /nfs/dbraw/zinc/17/48/85/1225174885.db2.gz FFWZAKBNXLRNPM-UHOSZYNNSA-N 2 2 361.486 0.625 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985765 1225174888 /nfs/dbraw/zinc/17/48/88/1225174888.db2.gz FFWZAKBNXLRNPM-UHOSZYNNSA-N 2 2 361.486 0.625 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001220986246 1225175752 /nfs/dbraw/zinc/17/57/52/1225175752.db2.gz XYMNZXSQSRHGDV-QGTPRVQTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001220986246 1225175759 /nfs/dbraw/zinc/17/57/59/1225175759.db2.gz XYMNZXSQSRHGDV-QGTPRVQTSA-N 2 2 365.449 0.455 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000872194680 1210177551 /nfs/dbraw/zinc/17/75/51/1210177551.db2.gz JAEAOILWUGWSKX-DLBZAZTESA-N 2 2 362.449 0.981 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873290422 1210240398 /nfs/dbraw/zinc/24/03/98/1210240398.db2.gz DJKHTLDGIMKWRF-LJQANCHMSA-N 3 2 366.550 0.531 20 0 FCADLP C(C[NH+]1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000873290422 1210240401 /nfs/dbraw/zinc/24/04/01/1210240401.db2.gz DJKHTLDGIMKWRF-LJQANCHMSA-N 3 2 366.550 0.531 20 0 FCADLP OCC1(CO)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000877796646 1210449098 /nfs/dbraw/zinc/44/90/98/1210449098.db2.gz RNEKELPRYASDPB-UHFFFAOYSA-N 2 2 364.486 0.964 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nnc4c(=O)n(C)ccn34)CC2)CC1 ZINC000878721174 1210464256 /nfs/dbraw/zinc/46/42/56/1210464256.db2.gz CVCCYCMIMDUJNV-UHFFFAOYSA-N 2 2 373.505 0.420 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nnc4c(=O)n(C)ccn34)CC2)CC1 ZINC000878721174 1210464258 /nfs/dbraw/zinc/46/42/58/1210464258.db2.gz CVCCYCMIMDUJNV-UHFFFAOYSA-N 2 2 373.505 0.420 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785952 1210466107 /nfs/dbraw/zinc/46/61/07/1210466107.db2.gz XLWHSPYFSLDLQV-DOTOQJQBSA-N 2 2 362.474 0.741 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785952 1210466109 /nfs/dbraw/zinc/46/61/09/1210466109.db2.gz XLWHSPYFSLDLQV-DOTOQJQBSA-N 2 2 362.474 0.741 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785953 1210466238 /nfs/dbraw/zinc/46/62/38/1210466238.db2.gz XLWHSPYFSLDLQV-NVXWUHKLSA-N 2 2 362.474 0.741 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785953 1210466240 /nfs/dbraw/zinc/46/62/40/1210466240.db2.gz XLWHSPYFSLDLQV-NVXWUHKLSA-N 2 2 362.474 0.741 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH+]3CCC(N4CC[NH+](C)CC4)CC3)C2=O)n1 ZINC000879592758 1210490467 /nfs/dbraw/zinc/49/04/67/1210490467.db2.gz OTBNBOZPPRPZPA-KRWDZBQOSA-N 2 2 360.506 0.627 20 0 FCADLP C[NH+](C)CCn1nccc1NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879673839 1210493210 /nfs/dbraw/zinc/49/32/10/1210493210.db2.gz PVGIJPSSLVPDRJ-UHFFFAOYSA-N 2 2 363.510 0.688 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)cc2)CC1 ZINC000879996636 1210509783 /nfs/dbraw/zinc/50/97/83/1210509783.db2.gz KIQVMGBQLVCIDV-LJQANCHMSA-N 2 2 360.502 0.621 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133625 1210517529 /nfs/dbraw/zinc/51/75/29/1210517529.db2.gz VFTNLHUIICEKEI-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133625 1210517537 /nfs/dbraw/zinc/51/75/37/1210517537.db2.gz VFTNLHUIICEKEI-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133625 1210517542 /nfs/dbraw/zinc/51/75/42/1210517542.db2.gz VFTNLHUIICEKEI-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133625 1210517551 /nfs/dbraw/zinc/51/75/51/1210517551.db2.gz VFTNLHUIICEKEI-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133628 1210517766 /nfs/dbraw/zinc/51/77/66/1210517766.db2.gz VFTNLHUIICEKEI-SJORKVTESA-N 2 2 358.490 0.684 20 0 FCADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133628 1210517769 /nfs/dbraw/zinc/51/77/69/1210517769.db2.gz VFTNLHUIICEKEI-SJORKVTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133628 1210517775 /nfs/dbraw/zinc/51/77/75/1210517775.db2.gz VFTNLHUIICEKEI-SJORKVTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133628 1210517782 /nfs/dbraw/zinc/51/77/82/1210517782.db2.gz VFTNLHUIICEKEI-SJORKVTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](CC(N)=O)C1CCOCC1)c1ccccc1 ZINC000880394413 1210533105 /nfs/dbraw/zinc/53/31/05/1210533105.db2.gz AXXDDEPGGOJZJW-QGZVFWFLSA-N 2 2 362.474 0.372 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](CC(N)=O)C1CCOCC1)c1ccccc1 ZINC000880394413 1210533111 /nfs/dbraw/zinc/53/31/11/1210533111.db2.gz AXXDDEPGGOJZJW-QGZVFWFLSA-N 2 2 362.474 0.372 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091189 1225217273 /nfs/dbraw/zinc/21/72/73/1225217273.db2.gz FJVIWRFMXRTYJV-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091189 1225217279 /nfs/dbraw/zinc/21/72/79/1225217279.db2.gz FJVIWRFMXRTYJV-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091189 1225217287 /nfs/dbraw/zinc/21/72/87/1225217287.db2.gz FJVIWRFMXRTYJV-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091189 1225217292 /nfs/dbraw/zinc/21/72/92/1225217292.db2.gz FJVIWRFMXRTYJV-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP O=C1NCCn2c(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)nnc21 ZINC000883295930 1210661270 /nfs/dbraw/zinc/66/12/70/1210661270.db2.gz XVLDPNIVJDQWBH-UHFFFAOYSA-N 2 2 370.457 0.786 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883346652 1210663136 /nfs/dbraw/zinc/66/31/36/1210663136.db2.gz DTKCEXSSCIGSFI-WMZOPIPTSA-N 2 2 367.538 0.565 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000883654222 1210680496 /nfs/dbraw/zinc/68/04/96/1210680496.db2.gz WQBQLYRNYRZXSD-UHFFFAOYSA-N 2 2 368.522 0.676 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000800218347 1210713639 /nfs/dbraw/zinc/71/36/39/1210713639.db2.gz PUVNNBIGVAMSGE-GVDBMIGSSA-N 2 2 367.490 0.583 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000800218347 1210713646 /nfs/dbraw/zinc/71/36/46/1210713646.db2.gz PUVNNBIGVAMSGE-GVDBMIGSSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CC1=O ZINC000800218347 1210713648 /nfs/dbraw/zinc/71/36/48/1210713648.db2.gz PUVNNBIGVAMSGE-GVDBMIGSSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CC1=O ZINC000800218347 1210713651 /nfs/dbraw/zinc/71/36/51/1210713651.db2.gz PUVNNBIGVAMSGE-GVDBMIGSSA-N 2 2 367.490 0.583 20 0 FCADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000884311595 1210729478 /nfs/dbraw/zinc/72/94/78/1210729478.db2.gz GZYPBPDTFKDJHJ-CVEARBPZSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884311595 1210729483 /nfs/dbraw/zinc/72/94/83/1210729483.db2.gz GZYPBPDTFKDJHJ-CVEARBPZSA-N 2 2 374.489 0.526 20 0 FCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000884313354 1210729701 /nfs/dbraw/zinc/72/97/01/1210729701.db2.gz BZSJKOYXTUMRHY-OAHLLOKOSA-N 2 2 374.489 0.207 20 0 FCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000884313354 1210729705 /nfs/dbraw/zinc/72/97/05/1210729705.db2.gz BZSJKOYXTUMRHY-OAHLLOKOSA-N 2 2 374.489 0.207 20 0 FCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884360224 1210731880 /nfs/dbraw/zinc/73/18/80/1210731880.db2.gz XDWBJFPIBSYXHS-GJZGRUSLSA-N 2 2 359.474 0.752 20 0 FCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000884651903 1210773140 /nfs/dbraw/zinc/77/31/40/1210773140.db2.gz CSPCKKBWVDGJCC-KRWDZBQOSA-N 2 2 371.441 0.571 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884674898 1210776926 /nfs/dbraw/zinc/77/69/26/1210776926.db2.gz LJLJYDUTAHJLIS-KRWDZBQOSA-N 2 2 355.442 0.856 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000884677687 1210778514 /nfs/dbraw/zinc/77/85/14/1210778514.db2.gz ALWCYDWSHBUPEW-SJORKVTESA-N 2 2 362.449 0.899 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884722416 1210789005 /nfs/dbraw/zinc/78/90/05/1210789005.db2.gz VSQVVSSTJKPNFV-QGZVFWFLSA-N 2 2 353.426 0.777 20 0 FCADLP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[NH2+]C1 ZINC000884876428 1210802056 /nfs/dbraw/zinc/80/20/56/1210802056.db2.gz BDXIEROUUDHINO-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)C2)cc1 ZINC000885021328 1210809717 /nfs/dbraw/zinc/80/97/17/1210809717.db2.gz YUUXXASYLPUIIH-KBAYOESNSA-N 2 2 374.485 0.260 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)C2)cc1 ZINC000885021328 1210809719 /nfs/dbraw/zinc/80/97/19/1210809719.db2.gz YUUXXASYLPUIIH-KBAYOESNSA-N 2 2 374.485 0.260 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885023102 1210810077 /nfs/dbraw/zinc/81/00/77/1210810077.db2.gz WFYPFQLTDKBIFA-UKRRQHHQSA-N 2 2 366.412 0.650 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885023102 1210810080 /nfs/dbraw/zinc/81/00/80/1210810080.db2.gz WFYPFQLTDKBIFA-UKRRQHHQSA-N 2 2 366.412 0.650 20 0 FCADLP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221152452 1225242198 /nfs/dbraw/zinc/24/21/98/1225242198.db2.gz YLGJHPCLXVPNCI-HNAYVOBHSA-N 2 2 357.458 0.556 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885228596 1210816366 /nfs/dbraw/zinc/81/63/66/1210816366.db2.gz XFIRGSVBJZNLOG-DOTOQJQBSA-N 2 2 355.442 0.809 20 0 FCADLP CCN(C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000885228289 1210816416 /nfs/dbraw/zinc/81/64/16/1210816416.db2.gz SNFGLRKTCSUGGZ-DLBZAZTESA-N 2 2 355.442 0.951 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001221155583 1225243000 /nfs/dbraw/zinc/24/30/00/1225243000.db2.gz OPHUGWNTPCKYTA-INIZCTEOSA-N 2 2 356.430 0.526 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066618 1210844740 /nfs/dbraw/zinc/84/47/40/1210844740.db2.gz PRTQRDRPZCCPKR-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+]C2(C3CC3)CCC2)CC1 ZINC000887147480 1210849441 /nfs/dbraw/zinc/84/94/41/1210849441.db2.gz OWAKSWBJQBPNNL-UHFFFAOYSA-N 2 2 369.473 0.934 20 0 FCADLP C[C@@H](C(=O)N1CCc2[nH]nc(C(=O)NC3CC[NH+](C)CC3)c2C1)[NH+](C)C ZINC001274157073 1210898161 /nfs/dbraw/zinc/89/81/61/1210898161.db2.gz HXAYSHYFTYMRKN-LBPRGKRZSA-N 2 2 362.478 0.069 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+](C)C2)C[C@H]1c1cn(C)c[nH+]1 ZINC001274195412 1210908723 /nfs/dbraw/zinc/90/87/23/1210908723.db2.gz PJYLCBFBHAVAPR-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1cn(C)c[nH+]1 ZINC001274195412 1210908726 /nfs/dbraw/zinc/90/87/26/1210908726.db2.gz PJYLCBFBHAVAPR-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274408437 1211046177 /nfs/dbraw/zinc/04/61/77/1211046177.db2.gz OAILESRGIWPGBA-FGTMMUONSA-N 2 2 361.490 0.669 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274408437 1211046182 /nfs/dbraw/zinc/04/61/82/1211046182.db2.gz OAILESRGIWPGBA-FGTMMUONSA-N 2 2 361.490 0.669 20 0 FCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1COCC[NH+]1Cc1ccccc1 ZINC001274693729 1211103295 /nfs/dbraw/zinc/10/32/95/1211103295.db2.gz DKUCPLISDLBDFV-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1COCC[NH+]1Cc1ccccc1 ZINC001274693729 1211103299 /nfs/dbraw/zinc/10/32/99/1211103299.db2.gz DKUCPLISDLBDFV-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC001274693729 1211103303 /nfs/dbraw/zinc/10/33/03/1211103303.db2.gz DKUCPLISDLBDFV-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC001274693729 1211103306 /nfs/dbraw/zinc/10/33/06/1211103306.db2.gz DKUCPLISDLBDFV-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022475 1211167133 /nfs/dbraw/zinc/16/71/33/1211167133.db2.gz RXSYIMJSLCGQQW-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022475 1211167136 /nfs/dbraw/zinc/16/71/36/1211167136.db2.gz RXSYIMJSLCGQQW-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022475 1211167139 /nfs/dbraw/zinc/16/71/39/1211167139.db2.gz RXSYIMJSLCGQQW-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022475 1211167143 /nfs/dbraw/zinc/16/71/43/1211167143.db2.gz RXSYIMJSLCGQQW-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC3(C[NH+](CC4CCCC4)C3)OCC2=O)CC1 ZINC001275131510 1211177360 /nfs/dbraw/zinc/17/73/60/1211177360.db2.gz UMNXQXKDWNASOO-UHFFFAOYSA-N 2 2 364.534 0.727 20 0 FCADLP CN1CC[NH+](CCCN2CC3(C[NH+](CC4CCCC4)C3)OCC2=O)CC1 ZINC001275131510 1211177365 /nfs/dbraw/zinc/17/73/65/1211177365.db2.gz UMNXQXKDWNASOO-UHFFFAOYSA-N 2 2 364.534 0.727 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001275152272 1211182753 /nfs/dbraw/zinc/18/27/53/1211182753.db2.gz IBOZSGWQVATKMZ-UGSOOPFHSA-N 2 2 359.430 0.040 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001275152272 1211182757 /nfs/dbraw/zinc/18/27/57/1211182757.db2.gz IBOZSGWQVATKMZ-UGSOOPFHSA-N 2 2 359.430 0.040 20 0 FCADLP O=C1CO[C@@]2(CC[N@@H+](Cc3ccc(CO)o3)C2)CN1CCn1cc[nH+]c1 ZINC001275253522 1211203706 /nfs/dbraw/zinc/20/37/06/1211203706.db2.gz AWBAYYUCRUZXHF-GOSISDBHSA-N 2 2 360.414 0.472 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](Cc3ccc(CO)o3)C2)CN1CCn1cc[nH+]c1 ZINC001275253522 1211203708 /nfs/dbraw/zinc/20/37/08/1211203708.db2.gz AWBAYYUCRUZXHF-GOSISDBHSA-N 2 2 360.414 0.472 20 0 FCADLP Cn1cnc2ccc(C[NH+]3CC4(C3)COCC(=O)N4CC[NH+](C)C)cc21 ZINC001275279784 1211207253 /nfs/dbraw/zinc/20/72/53/1211207253.db2.gz NQJIXJJIPXTTAZ-UHFFFAOYSA-N 2 2 357.458 0.548 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511557 1211252491 /nfs/dbraw/zinc/25/24/91/1211252491.db2.gz KDYCEZYWXUVIRU-KXBFYZLASA-N 2 2 369.506 0.829 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511557 1211252493 /nfs/dbraw/zinc/25/24/93/1211252493.db2.gz KDYCEZYWXUVIRU-KXBFYZLASA-N 2 2 369.506 0.829 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511554 1211252602 /nfs/dbraw/zinc/25/26/02/1211252602.db2.gz KDYCEZYWXUVIRU-DNVCBOLYSA-N 2 2 369.506 0.829 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511554 1211252605 /nfs/dbraw/zinc/25/26/05/1211252605.db2.gz KDYCEZYWXUVIRU-DNVCBOLYSA-N 2 2 369.506 0.829 20 0 FCADLP Cc1noc(CN2C[C@@]3(F)C[N@@H+](CC4CC[NH+](C)CC4)C[C@@]3(F)C2=O)n1 ZINC001275557288 1211257068 /nfs/dbraw/zinc/25/70/68/1211257068.db2.gz WYIVQBOJHVIVFI-DLBZAZTESA-N 2 2 369.416 0.794 20 0 FCADLP Cc1noc(CN2C[C@@]3(F)C[N@H+](CC4CC[NH+](C)CC4)C[C@@]3(F)C2=O)n1 ZINC001275557288 1211257069 /nfs/dbraw/zinc/25/70/69/1211257069.db2.gz WYIVQBOJHVIVFI-DLBZAZTESA-N 2 2 369.416 0.794 20 0 FCADLP Cc1n[nH]c(C)c1C[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275670425 1211270876 /nfs/dbraw/zinc/27/08/76/1211270876.db2.gz SAOVAUWOJKTSAE-SFHVURJKSA-N 2 2 358.446 0.764 20 0 FCADLP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275670425 1211270879 /nfs/dbraw/zinc/27/08/79/1211270879.db2.gz SAOVAUWOJKTSAE-SFHVURJKSA-N 2 2 358.446 0.764 20 0 FCADLP Cc1c(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cnn1C ZINC001275727464 1211275665 /nfs/dbraw/zinc/27/56/65/1211275665.db2.gz NIUHDMLDSFCHMZ-SFHVURJKSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1c(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cnn1C ZINC001275727464 1211275666 /nfs/dbraw/zinc/27/56/66/1211275666.db2.gz NIUHDMLDSFCHMZ-SFHVURJKSA-N 2 2 358.446 0.429 20 0 FCADLP CC(C)OC(=O)CN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743749 1211280149 /nfs/dbraw/zinc/28/01/49/1211280149.db2.gz WVQXRPLSFDCASO-UHFFFAOYSA-N 2 2 367.490 0.583 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](C[C@@H]1CCCOC1)C2 ZINC001275743519 1211280310 /nfs/dbraw/zinc/28/03/10/1211280310.db2.gz SJRYXZGEYHKSNE-PKOBYXMFSA-N 2 2 362.474 0.861 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001275743519 1211280313 /nfs/dbraw/zinc/28/03/13/1211280313.db2.gz SJRYXZGEYHKSNE-PKOBYXMFSA-N 2 2 362.474 0.861 20 0 FCADLP CCOC(=O)[C@H](C)N1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742823 1211280376 /nfs/dbraw/zinc/28/03/76/1211280376.db2.gz IHHNCXOBJDHNIO-HNNXBMFYSA-N 2 2 367.490 0.583 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833580 1211293616 /nfs/dbraw/zinc/29/36/16/1211293616.db2.gz KNNLYRFKSVSXRZ-DOPJRALCSA-N 2 2 372.460 0.557 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833580 1211293617 /nfs/dbraw/zinc/29/36/17/1211293617.db2.gz KNNLYRFKSVSXRZ-DOPJRALCSA-N 2 2 372.460 0.557 20 0 FCADLP CN(C)C(=O)CCN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833426 1211293621 /nfs/dbraw/zinc/29/36/21/1211293621.db2.gz FHDLNWVBXNDKBV-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)CC[NH+]1CCC2(CCN(CCCN3CC[NH+](C)CC3)C2=O)CC1 ZINC001275841832 1211296082 /nfs/dbraw/zinc/29/60/82/1211296082.db2.gz DWSJEUOOPMXPBV-UHFFFAOYSA-N 2 2 365.566 0.500 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880783 1211305131 /nfs/dbraw/zinc/30/51/31/1211305131.db2.gz WIEJDWXDGCBUSE-SPYBWZPUSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880783 1211305134 /nfs/dbraw/zinc/30/51/34/1211305134.db2.gz WIEJDWXDGCBUSE-SPYBWZPUSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880783 1211305136 /nfs/dbraw/zinc/30/51/36/1211305136.db2.gz WIEJDWXDGCBUSE-SPYBWZPUSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880783 1211305140 /nfs/dbraw/zinc/30/51/40/1211305140.db2.gz WIEJDWXDGCBUSE-SPYBWZPUSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880775 1211305522 /nfs/dbraw/zinc/30/55/22/1211305522.db2.gz WIEJDWXDGCBUSE-CLCXKQKWSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880775 1211305523 /nfs/dbraw/zinc/30/55/23/1211305523.db2.gz WIEJDWXDGCBUSE-CLCXKQKWSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880775 1211305526 /nfs/dbraw/zinc/30/55/26/1211305526.db2.gz WIEJDWXDGCBUSE-CLCXKQKWSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880775 1211305529 /nfs/dbraw/zinc/30/55/29/1211305529.db2.gz WIEJDWXDGCBUSE-CLCXKQKWSA-N 2 2 364.490 0.433 20 0 FCADLP COCCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830665 1211332934 /nfs/dbraw/zinc/33/29/34/1211332934.db2.gz ONVSTEYLAHSXFL-NVXWUHKLSA-N 2 2 366.506 0.108 20 0 FCADLP COCCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830665 1211332936 /nfs/dbraw/zinc/33/29/36/1211332936.db2.gz ONVSTEYLAHSXFL-NVXWUHKLSA-N 2 2 366.506 0.108 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001095625674 1211429289 /nfs/dbraw/zinc/42/92/89/1211429289.db2.gz BLHBDSGSPVKBMP-FXUDXRNXSA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001095625674 1211429291 /nfs/dbraw/zinc/42/92/91/1211429291.db2.gz BLHBDSGSPVKBMP-FXUDXRNXSA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001095625674 1211429293 /nfs/dbraw/zinc/42/92/93/1211429293.db2.gz BLHBDSGSPVKBMP-FXUDXRNXSA-N 2 2 362.474 0.341 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001095640970 1211431935 /nfs/dbraw/zinc/43/19/35/1211431935.db2.gz MHNILTQBAVZQPP-JHNDHUHGSA-N 2 2 372.473 0.192 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001095640970 1211431939 /nfs/dbraw/zinc/43/19/39/1211431939.db2.gz MHNILTQBAVZQPP-JHNDHUHGSA-N 2 2 372.473 0.192 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695063 1211449764 /nfs/dbraw/zinc/44/97/64/1211449764.db2.gz GYDNKAZNYJULIH-SYAUCNOPSA-N 2 2 367.409 0.475 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695063 1211449766 /nfs/dbraw/zinc/44/97/66/1211449766.db2.gz GYDNKAZNYJULIH-SYAUCNOPSA-N 2 2 367.409 0.475 20 0 FCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)C1=O ZINC001095695146 1211449923 /nfs/dbraw/zinc/44/99/23/1211449923.db2.gz KICJFTSGAHLQAY-BSWAZPDLSA-N 2 2 353.426 0.900 20 0 FCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)C1=O ZINC001095695146 1211449926 /nfs/dbraw/zinc/44/99/26/1211449926.db2.gz KICJFTSGAHLQAY-BSWAZPDLSA-N 2 2 353.426 0.900 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885927 1211463723 /nfs/dbraw/zinc/46/37/23/1211463723.db2.gz DAOAGLVFIAXIRI-SYQHCUMBSA-N 2 2 365.478 0.166 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885927 1211463725 /nfs/dbraw/zinc/46/37/25/1211463725.db2.gz DAOAGLVFIAXIRI-SYQHCUMBSA-N 2 2 365.478 0.166 20 0 FCADLP CO[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946979251 1211465327 /nfs/dbraw/zinc/46/53/27/1211465327.db2.gz RSCHABBITXOJDF-HZPDHXFCSA-N 2 2 368.397 0.256 20 0 FCADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn(C)n1 ZINC000925395137 1211498263 /nfs/dbraw/zinc/49/82/63/1211498263.db2.gz DGYMNPKMWKHNBF-GJZGRUSLSA-N 2 2 372.477 0.761 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000925598225 1211503781 /nfs/dbraw/zinc/50/37/81/1211503781.db2.gz JYLKBPKEVKCDLH-ZWKOTPCHSA-N 2 2 368.522 0.851 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001221311821 1225294547 /nfs/dbraw/zinc/29/45/47/1225294547.db2.gz MAAKYVUAGVQGPA-ZDUSSCGKSA-N 2 2 355.354 0.980 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)c1 ZINC000926332159 1211532991 /nfs/dbraw/zinc/53/29/91/1211532991.db2.gz PQHWPMKUUVJGFD-IIDMSEBBSA-N 2 2 374.485 0.706 20 0 FCADLP COc1ccc2c(c1)OC[C@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001221320893 1225296963 /nfs/dbraw/zinc/29/69/63/1225296963.db2.gz HTLRMVNQYYQVQC-GUYCJALGSA-N 2 2 362.474 0.113 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCO[C@H]3CCOC3)CC2)CC1 ZINC000927532274 1211574200 /nfs/dbraw/zinc/57/42/00/1211574200.db2.gz WUNUKISDDMZQOT-SFHVURJKSA-N 2 2 368.522 0.994 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCO[C@H]3CCOC3)CC2)CC1 ZINC000927532274 1211574204 /nfs/dbraw/zinc/57/42/04/1211574204.db2.gz WUNUKISDDMZQOT-SFHVURJKSA-N 2 2 368.522 0.994 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000927899881 1211591588 /nfs/dbraw/zinc/59/15/88/1211591588.db2.gz CEVGRTWAAMPDSI-LSDHHAIUSA-N 2 2 373.457 0.233 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001221337497 1225300474 /nfs/dbraw/zinc/30/04/74/1225300474.db2.gz LMMNYAIPANFBPZ-WMZOPIPTSA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001221337497 1225300480 /nfs/dbraw/zinc/30/04/80/1225300480.db2.gz LMMNYAIPANFBPZ-WMZOPIPTSA-N 2 2 354.458 0.957 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110940903 1211598052 /nfs/dbraw/zinc/59/80/52/1211598052.db2.gz HCATWYRXXMKCRD-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110940903 1211598054 /nfs/dbraw/zinc/59/80/54/1211598054.db2.gz HCATWYRXXMKCRD-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110940903 1211598057 /nfs/dbraw/zinc/59/80/57/1211598057.db2.gz HCATWYRXXMKCRD-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110940903 1211598059 /nfs/dbraw/zinc/59/80/59/1211598059.db2.gz HCATWYRXXMKCRD-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001221337494 1225300758 /nfs/dbraw/zinc/30/07/58/1225300758.db2.gz LMMNYAIPANFBPZ-AEFFLSMTSA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001221337494 1225300764 /nfs/dbraw/zinc/30/07/64/1225300764.db2.gz LMMNYAIPANFBPZ-AEFFLSMTSA-N 2 2 354.458 0.957 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[NH+]3C)c2)CCO1 ZINC000929730279 1211657644 /nfs/dbraw/zinc/65/76/44/1211657644.db2.gz AHROZXYEYVRCEG-CRAIPNDOSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[NH+]3C)c2)CCO1 ZINC000929730279 1211657648 /nfs/dbraw/zinc/65/76/48/1211657648.db2.gz AHROZXYEYVRCEG-CRAIPNDOSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)c2)CCO1 ZINC000929730279 1211657653 /nfs/dbraw/zinc/65/76/53/1211657653.db2.gz AHROZXYEYVRCEG-CRAIPNDOSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@H]3CC[N@H+]3C)c2)CCO1 ZINC000929730279 1211657658 /nfs/dbraw/zinc/65/76/58/1211657658.db2.gz AHROZXYEYVRCEG-CRAIPNDOSA-N 2 2 374.485 0.344 20 0 FCADLP CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110977910 1211675568 /nfs/dbraw/zinc/67/55/68/1211675568.db2.gz GNNXRVCOLISUHI-NCOADZHNSA-N 2 2 363.462 0.215 20 0 FCADLP CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001110977910 1211675574 /nfs/dbraw/zinc/67/55/74/1211675574.db2.gz GNNXRVCOLISUHI-NCOADZHNSA-N 2 2 363.462 0.215 20 0 FCADLP Cn1cc(N2CC[C@@H]([N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001110979929 1211685390 /nfs/dbraw/zinc/68/53/90/1211685390.db2.gz JGUHMONIPYKZHW-MXASKKJJSA-N 2 2 374.489 0.199 20 0 FCADLP Cn1cc(N2CC[C@@H]([N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001110979929 1211685397 /nfs/dbraw/zinc/68/53/97/1211685397.db2.gz JGUHMONIPYKZHW-MXASKKJJSA-N 2 2 374.489 0.199 20 0 FCADLP C[NH+]1CC[C@@H]2C[NH+](CC3(C[NH+]4C[C@@H]5CC[N@@H+](C)C[C@@H]5C4)COC3)C[C@@H]2C1 ZINC000931436652 1211756358 /nfs/dbraw/zinc/75/63/58/1211756358.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 4 2 362.562 0.770 20 0 FCADLP C[NH+]1CC[C@@H]2C[NH+](CC3(C[NH+]4C[C@@H]5CC[N@H+](C)C[C@@H]5C4)COC3)C[C@@H]2C1 ZINC000931436652 1211756359 /nfs/dbraw/zinc/75/63/59/1211756359.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 4 2 362.562 0.770 20 0 FCADLP C[NH+]1CC[C@H]2C[N@H+](CC3(C[NH+]4C[C@H]5CC[NH+](C)C[C@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756362 /nfs/dbraw/zinc/75/63/62/1211756362.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 4 2 362.562 0.770 20 0 FCADLP C[NH+]1CC[C@H]2C[N@@H+](CC3(C[NH+]4C[C@H]5CC[NH+](C)C[C@H]5C4)COC3)C[C@H]2C1 ZINC000931436652 1211756369 /nfs/dbraw/zinc/75/63/69/1211756369.db2.gz AKCCQVRRAXPQQA-JVSBHGNQSA-N 4 2 362.562 0.770 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000931608923 1211762688 /nfs/dbraw/zinc/76/26/88/1211762688.db2.gz WTOQZSKSRLQRHJ-UHFFFAOYSA-N 2 2 356.430 0.824 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3C(=O)NCC3(C)C)CC2)c1 ZINC000931662563 1211769270 /nfs/dbraw/zinc/76/92/70/1211769270.db2.gz GHLGQJPFGCYQHG-GOSISDBHSA-N 2 2 358.486 0.753 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)[nH+]1 ZINC000932810880 1211823002 /nfs/dbraw/zinc/82/30/02/1211823002.db2.gz YFHLUMJLQHVAEU-UHFFFAOYSA-N 2 2 356.430 0.978 20 0 FCADLP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000933843662 1211849101 /nfs/dbraw/zinc/84/91/01/1211849101.db2.gz AFZZCHXAZBDPOO-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)n1cc[nH+]c1 ZINC001111077965 1211865178 /nfs/dbraw/zinc/86/51/78/1211865178.db2.gz DKWBCWDCFOPOKC-YJNKXOJESA-N 2 2 374.445 0.108 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)n1cc[nH+]c1 ZINC001111077965 1211865179 /nfs/dbraw/zinc/86/51/79/1211865179.db2.gz DKWBCWDCFOPOKC-YJNKXOJESA-N 2 2 374.445 0.108 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)cc1 ZINC001111145608 1211899320 /nfs/dbraw/zinc/89/93/20/1211899320.db2.gz NXQDGWCADUSMQS-OAGGEKHMSA-N 2 2 373.457 0.278 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)cc1 ZINC001111145608 1211899322 /nfs/dbraw/zinc/89/93/22/1211899322.db2.gz NXQDGWCADUSMQS-OAGGEKHMSA-N 2 2 373.457 0.278 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147326 1211899849 /nfs/dbraw/zinc/89/98/49/1211899849.db2.gz VXJCQJIRCAWQIU-NCOADZHNSA-N 2 2 366.506 0.474 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147326 1211899851 /nfs/dbraw/zinc/89/98/51/1211899851.db2.gz VXJCQJIRCAWQIU-NCOADZHNSA-N 2 2 366.506 0.474 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151494 1211901558 /nfs/dbraw/zinc/90/15/58/1211901558.db2.gz CRXCFPCBNBWKSK-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151494 1211901560 /nfs/dbraw/zinc/90/15/60/1211901560.db2.gz CRXCFPCBNBWKSK-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001111149914 1211901582 /nfs/dbraw/zinc/90/15/82/1211901582.db2.gz ALDZMDGKIUEVCX-WCXIOVBPSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001111149914 1211901583 /nfs/dbraw/zinc/90/15/83/1211901583.db2.gz ALDZMDGKIUEVCX-WCXIOVBPSA-N 2 2 359.474 0.972 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001111169070 1211909847 /nfs/dbraw/zinc/90/98/47/1211909847.db2.gz ATRNRWAWMVFWEV-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001111169070 1211909851 /nfs/dbraw/zinc/90/98/51/1211909851.db2.gz ATRNRWAWMVFWEV-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)NC1CC1 ZINC001095767694 1211980049 /nfs/dbraw/zinc/98/00/49/1211980049.db2.gz SISWWGSXCXABQJ-PVAVHDDUSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)NC1CC1 ZINC001095767694 1211980055 /nfs/dbraw/zinc/98/00/55/1211980055.db2.gz SISWWGSXCXABQJ-PVAVHDDUSA-N 2 2 353.426 0.948 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)c[nH+]1 ZINC000947965034 1212105086 /nfs/dbraw/zinc/10/50/86/1212105086.db2.gz PDKHXKXZCVUESR-BMFZPTHFSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)c[nH+]1 ZINC000947965034 1212105094 /nfs/dbraw/zinc/10/50/94/1212105094.db2.gz PDKHXKXZCVUESR-BMFZPTHFSA-N 2 2 361.490 0.984 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276069 1212190910 /nfs/dbraw/zinc/19/09/10/1212190910.db2.gz BGXZWYVICNASBT-DDBAPUKQSA-N 2 2 364.490 0.718 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276069 1212190916 /nfs/dbraw/zinc/19/09/16/1212190916.db2.gz BGXZWYVICNASBT-DDBAPUKQSA-N 2 2 364.490 0.718 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969028030 1212234339 /nfs/dbraw/zinc/23/43/39/1212234339.db2.gz OXURZEMMVQMQNE-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969028030 1212234344 /nfs/dbraw/zinc/23/43/44/1212234344.db2.gz OXURZEMMVQMQNE-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C1CC1 ZINC000969071974 1212255125 /nfs/dbraw/zinc/25/51/25/1212255125.db2.gz PTSLFASCOVHLEN-XNRPHZJLSA-N 2 2 362.478 0.331 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C1CC1 ZINC000969071974 1212255128 /nfs/dbraw/zinc/25/51/28/1212255128.db2.gz PTSLFASCOVHLEN-XNRPHZJLSA-N 2 2 362.478 0.331 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949017236 1212276647 /nfs/dbraw/zinc/27/66/47/1212276647.db2.gz BDUWYNUFJGIJEP-DJIMGWMZSA-N 2 2 361.490 0.799 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949017236 1212276652 /nfs/dbraw/zinc/27/66/52/1212276652.db2.gz BDUWYNUFJGIJEP-DJIMGWMZSA-N 2 2 361.490 0.799 20 0 FCADLP 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COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001221563392 1225369571 /nfs/dbraw/zinc/36/95/71/1225369571.db2.gz OMHRQTGFHSKQDH-DJIMGWMZSA-N 2 2 362.474 0.302 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001221563392 1225369578 /nfs/dbraw/zinc/36/95/78/1225369578.db2.gz OMHRQTGFHSKQDH-DJIMGWMZSA-N 2 2 362.474 0.302 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001007483701 1212504982 /nfs/dbraw/zinc/50/49/82/1212504982.db2.gz RLKYTUBHLQDBPE-KXBFYZLASA-N 2 2 359.474 0.854 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001111304093 1212518436 /nfs/dbraw/zinc/51/84/36/1212518436.db2.gz PWOWLJHTVIWATA-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001111304093 1212518437 /nfs/dbraw/zinc/51/84/37/1212518437.db2.gz PWOWLJHTVIWATA-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOCC ZINC001111304093 1212518445 /nfs/dbraw/zinc/51/84/45/1212518445.db2.gz PWOWLJHTVIWATA-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOCC ZINC001111304093 1212518449 /nfs/dbraw/zinc/51/84/49/1212518449.db2.gz PWOWLJHTVIWATA-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111309567 1212536404 /nfs/dbraw/zinc/53/64/04/1212536404.db2.gz SKRQYGLZEIATQD-OAGGEKHMSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111309567 1212536411 /nfs/dbraw/zinc/53/64/11/1212536411.db2.gz SKRQYGLZEIATQD-OAGGEKHMSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111309567 1212536412 /nfs/dbraw/zinc/53/64/12/1212536412.db2.gz SKRQYGLZEIATQD-OAGGEKHMSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111309567 1212536419 /nfs/dbraw/zinc/53/64/19/1212536419.db2.gz SKRQYGLZEIATQD-OAGGEKHMSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001111309481 1212536671 /nfs/dbraw/zinc/53/66/71/1212536671.db2.gz RAFCWXLESREYTO-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001111309481 1212536673 /nfs/dbraw/zinc/53/66/73/1212536673.db2.gz RAFCWXLESREYTO-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001111309481 1212536676 /nfs/dbraw/zinc/53/66/76/1212536676.db2.gz RAFCWXLESREYTO-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001111309481 1212536680 /nfs/dbraw/zinc/53/66/80/1212536680.db2.gz RAFCWXLESREYTO-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP 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/nfs/dbraw/zinc/54/81/95/1225548195.db2.gz WHKHPAQMKNYDRJ-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001221947171 1225548201 /nfs/dbraw/zinc/54/82/01/1225548201.db2.gz WHKHPAQMKNYDRJ-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001221950237 1225548967 /nfs/dbraw/zinc/54/89/67/1225548967.db2.gz YGQVOUNCCKARPJ-USXIJHARSA-N 2 2 360.502 0.530 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)C1CC1 ZINC001221950237 1225548970 /nfs/dbraw/zinc/54/89/70/1225548970.db2.gz YGQVOUNCCKARPJ-USXIJHARSA-N 2 2 360.502 0.530 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc(C)[nH+]1 ZINC001041182445 1214738131 /nfs/dbraw/zinc/73/81/31/1214738131.db2.gz FSVGBTGSJURYFV-ARFHVFGLSA-N 2 2 359.474 0.355 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc(C)[nH+]1 ZINC001041182447 1214738419 /nfs/dbraw/zinc/73/84/19/1214738419.db2.gz FSVGBTGSJURYFV-BZUAXINKSA-N 2 2 359.474 0.355 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963151311 1214751822 /nfs/dbraw/zinc/75/18/22/1214751822.db2.gz HJYOFHSOPZJOGK-VQHPVUNQSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963151311 1214751826 /nfs/dbraw/zinc/75/18/26/1214751826.db2.gz HJYOFHSOPZJOGK-VQHPVUNQSA-N 2 2 359.474 0.815 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221978725 1225560453 /nfs/dbraw/zinc/56/04/53/1225560453.db2.gz BQVOCIUDEGMOKR-GDBMZVCRSA-N 2 2 362.478 0.501 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001221978725 1225560457 /nfs/dbraw/zinc/56/04/57/1225560457.db2.gz BQVOCIUDEGMOKR-GDBMZVCRSA-N 2 2 362.478 0.501 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnnn1C)C2 ZINC000965159203 1215026405 /nfs/dbraw/zinc/02/64/05/1215026405.db2.gz ANAGUAFMWUPKHI-DPTAPRKNSA-N 2 2 370.461 0.264 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnn(C)n1)C2 ZINC000965161584 1215026608 /nfs/dbraw/zinc/02/66/08/1215026608.db2.gz VJXMRLBKPHJHGV-AMUHYVEISA-N 2 2 369.473 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC000965159923 1215026678 /nfs/dbraw/zinc/02/66/78/1215026678.db2.gz HMPNQGIJLSGPLQ-BCEGUSRUSA-N 2 2 357.458 0.429 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)CC[N@@H+]1C ZINC000967059647 1215196852 /nfs/dbraw/zinc/19/68/52/1215196852.db2.gz ACYBOFGGEMSHET-BZUAXINKSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)CC[N@H+]1C ZINC000967059647 1215196854 /nfs/dbraw/zinc/19/68/54/1215196854.db2.gz ACYBOFGGEMSHET-BZUAXINKSA-N 2 2 361.490 0.967 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000967851516 1215261746 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/nfs/dbraw/zinc/26/35/79/1215263579.db2.gz DLHPXDYGHFEWAT-RTBURBONSA-N 2 2 359.470 0.555 20 0 FCADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889791 1215263581 /nfs/dbraw/zinc/26/35/81/1215263581.db2.gz DLHPXDYGHFEWAT-RTBURBONSA-N 2 2 359.470 0.555 20 0 FCADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889791 1215263584 /nfs/dbraw/zinc/26/35/84/1215263584.db2.gz DLHPXDYGHFEWAT-RTBURBONSA-N 2 2 359.470 0.555 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000968098793 1215286900 /nfs/dbraw/zinc/28/69/00/1215286900.db2.gz XAAUVEGRGCXURY-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968098793 1215286903 /nfs/dbraw/zinc/28/69/03/1215286903.db2.gz XAAUVEGRGCXURY-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000968098793 1215286907 /nfs/dbraw/zinc/28/69/07/1215286907.db2.gz XAAUVEGRGCXURY-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000968098793 1215286908 /nfs/dbraw/zinc/28/69/08/1215286908.db2.gz XAAUVEGRGCXURY-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001222053460 1225591889 /nfs/dbraw/zinc/59/18/89/1225591889.db2.gz REJTVGPKZVXCKM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001222053460 1225591895 /nfs/dbraw/zinc/59/18/95/1225591895.db2.gz REJTVGPKZVXCKM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001222053460 1225591898 /nfs/dbraw/zinc/59/18/98/1225591898.db2.gz REJTVGPKZVXCKM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001222053460 1225591903 /nfs/dbraw/zinc/59/19/03/1225591903.db2.gz REJTVGPKZVXCKM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276827149 1225593510 /nfs/dbraw/zinc/59/35/10/1225593510.db2.gz CQQKUUBDGLFSTQ-MAUKXSAKSA-N 2 2 364.446 0.122 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276827149 1225593514 /nfs/dbraw/zinc/59/35/14/1225593514.db2.gz CQQKUUBDGLFSTQ-MAUKXSAKSA-N 2 2 364.446 0.122 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001055650513 1215898541 /nfs/dbraw/zinc/89/85/41/1215898541.db2.gz YTIUVRLLCMPRCK-OIISXLGYSA-N 2 2 366.506 0.060 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001055650513 1215898542 /nfs/dbraw/zinc/89/85/42/1215898542.db2.gz YTIUVRLLCMPRCK-OIISXLGYSA-N 2 2 366.506 0.060 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)CC[N@@H+]1C ZINC001056447435 1215971360 /nfs/dbraw/zinc/97/13/60/1215971360.db2.gz BYDFKYNMZGZUIZ-RBRCJPGISA-N 2 2 369.473 0.644 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)CC[N@H+]1C ZINC001056447435 1215971368 /nfs/dbraw/zinc/97/13/68/1215971368.db2.gz BYDFKYNMZGZUIZ-RBRCJPGISA-N 2 2 369.473 0.644 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001000005707 1215988886 /nfs/dbraw/zinc/98/88/86/1215988886.db2.gz PWTSYDOJYLABML-ZJIFWQFVSA-N 2 2 359.474 0.581 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001000005707 1215988888 /nfs/dbraw/zinc/98/88/88/1215988888.db2.gz PWTSYDOJYLABML-ZJIFWQFVSA-N 2 2 359.474 0.581 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001000230562 1216025700 /nfs/dbraw/zinc/02/57/00/1216025700.db2.gz ANNDCVXGJJCHCD-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001000468035 1216065500 /nfs/dbraw/zinc/06/55/00/1216065500.db2.gz IXNZYBZRNQKJBM-FSDCSDTHSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001000468035 1216065503 /nfs/dbraw/zinc/06/55/03/1216065503.db2.gz IXNZYBZRNQKJBM-FSDCSDTHSA-N 2 2 359.474 0.695 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC[N@@H+]1C ZINC001000899786 1216122876 /nfs/dbraw/zinc/12/28/76/1216122876.db2.gz XEDJSFLZXCVIJM-HMDCTGQHSA-N 2 2 359.474 0.931 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC[N@H+]1C ZINC001000899786 1216122878 /nfs/dbraw/zinc/12/28/78/1216122878.db2.gz XEDJSFLZXCVIJM-HMDCTGQHSA-N 2 2 359.474 0.931 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+](CCN2CCCC2=O)CC1 ZINC001001158732 1216133788 /nfs/dbraw/zinc/13/37/88/1216133788.db2.gz GVOVKNIGTXBFOH-IAGOWNOFSA-N 2 2 371.485 0.894 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+](CCN2CCCC2=O)CC1 ZINC001001158732 1216133789 /nfs/dbraw/zinc/13/37/89/1216133789.db2.gz GVOVKNIGTXBFOH-IAGOWNOFSA-N 2 2 371.485 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cncn4C)C[C@H]32)O1 ZINC001050076234 1216278709 /nfs/dbraw/zinc/27/87/09/1216278709.db2.gz WHGGJRXUDFNELM-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cncn4C)C[C@H]32)O1 ZINC001050076234 1216278722 /nfs/dbraw/zinc/27/87/22/1216278722.db2.gz WHGGJRXUDFNELM-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4cncn4C)C[C@H]32)O1 ZINC001050076234 1216278729 /nfs/dbraw/zinc/27/87/29/1216278729.db2.gz WHGGJRXUDFNELM-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)O1 ZINC001050076234 1216278735 /nfs/dbraw/zinc/27/87/35/1216278735.db2.gz WHGGJRXUDFNELM-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050525145 1216330785 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/nfs/dbraw/zinc/56/10/88/1216561088.db2.gz OSBUORSATCFQAR-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ccnc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052489471 1216561092 /nfs/dbraw/zinc/56/10/92/1216561092.db2.gz OSBUORSATCFQAR-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ccnc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052489471 1216561094 /nfs/dbraw/zinc/56/10/94/1216561094.db2.gz OSBUORSATCFQAR-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(-n4cncn4)n3)C2)CC1 ZINC000827414468 1216596282 /nfs/dbraw/zinc/59/62/82/1216596282.db2.gz VSXPPSLUUDIEAO-AWEZNQCLSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(-n4cncn4)n3)C2)CC1 ZINC000827414468 1216596290 /nfs/dbraw/zinc/59/62/90/1216596290.db2.gz VSXPPSLUUDIEAO-AWEZNQCLSA-N 2 2 355.446 0.561 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](Cc3cccc(=O)n3C)C2)C1=O ZINC001276868738 1225686720 /nfs/dbraw/zinc/68/67/20/1225686720.db2.gz RHSQJELFNGWVSA-IBGZPJMESA-N 2 2 355.442 0.743 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](Cc3cccc(=O)n3C)C2)C1=O ZINC001276868738 1225686724 /nfs/dbraw/zinc/68/67/24/1225686724.db2.gz RHSQJELFNGWVSA-IBGZPJMESA-N 2 2 355.442 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC001069833983 1216804615 /nfs/dbraw/zinc/80/46/15/1216804615.db2.gz VTBSHIDVNCANRO-UKRRQHHQSA-N 2 2 369.473 0.956 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC001069833983 1216804616 /nfs/dbraw/zinc/80/46/16/1216804616.db2.gz VTBSHIDVNCANRO-UKRRQHHQSA-N 2 2 369.473 0.956 20 0 FCADLP CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001069845741 1216806009 /nfs/dbraw/zinc/80/60/09/1216806009.db2.gz LDBWOOMBLVGVEE-MGPQQGTHSA-N 2 2 357.462 0.746 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962103 1216868895 /nfs/dbraw/zinc/86/88/95/1216868895.db2.gz FGIIZCBRVJCAKL-IMJJTQAJSA-N 2 2 361.425 0.438 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962103 1216868898 /nfs/dbraw/zinc/86/88/98/1216868898.db2.gz FGIIZCBRVJCAKL-IMJJTQAJSA-N 2 2 361.425 0.438 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001069962405 1216869441 /nfs/dbraw/zinc/86/94/41/1216869441.db2.gz UESULRDLZLPMBN-OAGGEKHMSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001069962405 1216869445 /nfs/dbraw/zinc/86/94/45/1216869445.db2.gz UESULRDLZLPMBN-OAGGEKHMSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001069963930 1216871129 /nfs/dbraw/zinc/87/11/29/1216871129.db2.gz UQBYSWMLOGZRKX-BMFZPTHFSA-N 2 2 361.425 0.438 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001069963930 1216871132 /nfs/dbraw/zinc/87/11/32/1216871132.db2.gz UQBYSWMLOGZRKX-BMFZPTHFSA-N 2 2 361.425 0.438 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970574 1216876520 /nfs/dbraw/zinc/87/65/20/1216876520.db2.gz NCDYZEIVQHMSAW-CVEARBPZSA-N 2 2 355.402 0.228 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970574 1216876522 /nfs/dbraw/zinc/87/65/22/1216876522.db2.gz NCDYZEIVQHMSAW-CVEARBPZSA-N 2 2 355.402 0.228 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024210 1216902698 /nfs/dbraw/zinc/90/26/98/1216902698.db2.gz GEZXZHLJULHRPZ-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024210 1216902701 /nfs/dbraw/zinc/90/27/01/1216902701.db2.gz GEZXZHLJULHRPZ-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024210 1216902705 /nfs/dbraw/zinc/90/27/05/1216902705.db2.gz GEZXZHLJULHRPZ-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP CO[C@@H](C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024210 1216902709 /nfs/dbraw/zinc/90/27/09/1216902709.db2.gz GEZXZHLJULHRPZ-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001223425354 1225705821 /nfs/dbraw/zinc/70/58/21/1225705821.db2.gz TYCNWQTUGCEZJQ-PVAVHDDUSA-N 2 2 365.453 0.739 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001223425354 1225705828 /nfs/dbraw/zinc/70/58/28/1225705828.db2.gz TYCNWQTUGCEZJQ-PVAVHDDUSA-N 2 2 365.453 0.739 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001223425354 1225705832 /nfs/dbraw/zinc/70/58/32/1225705832.db2.gz TYCNWQTUGCEZJQ-PVAVHDDUSA-N 2 2 365.453 0.739 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001223425354 1225705839 /nfs/dbraw/zinc/70/58/39/1225705839.db2.gz TYCNWQTUGCEZJQ-PVAVHDDUSA-N 2 2 365.453 0.739 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223569248 1225716983 /nfs/dbraw/zinc/71/69/83/1225716983.db2.gz ATDNYZHIVVIZAW-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678360 1225726990 /nfs/dbraw/zinc/72/69/90/1225726990.db2.gz BDSMVVIRINXBQW-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678360 1225726992 /nfs/dbraw/zinc/72/69/92/1225726992.db2.gz BDSMVVIRINXBQW-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404303 1217315441 /nfs/dbraw/zinc/31/54/41/1217315441.db2.gz SCTBGVKYZDDCCV-MZMPZRCHSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404303 1217315447 /nfs/dbraw/zinc/31/54/47/1217315447.db2.gz SCTBGVKYZDDCCV-MZMPZRCHSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nonc1C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404303 1217315456 /nfs/dbraw/zinc/31/54/56/1217315456.db2.gz SCTBGVKYZDDCCV-MZMPZRCHSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nonc1C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404303 1217315460 /nfs/dbraw/zinc/31/54/60/1217315460.db2.gz SCTBGVKYZDDCCV-MZMPZRCHSA-N 2 2 363.462 0.522 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001042089646 1217386079 /nfs/dbraw/zinc/38/60/79/1217386079.db2.gz GDQVCXXAOOLLSU-TZMCWYRMSA-N 2 2 355.446 0.400 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223846309 1225740152 /nfs/dbraw/zinc/74/01/52/1225740152.db2.gz COIOTYZZQYMXDQ-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223846309 1225740154 /nfs/dbraw/zinc/74/01/54/1225740154.db2.gz COIOTYZZQYMXDQ-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223846309 1225740156 /nfs/dbraw/zinc/74/01/56/1225740156.db2.gz COIOTYZZQYMXDQ-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223846309 1225740158 /nfs/dbraw/zinc/74/01/58/1225740158.db2.gz COIOTYZZQYMXDQ-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(F)cn1 ZINC001276944690 1225755202 /nfs/dbraw/zinc/75/52/02/1225755202.db2.gz WFMCRRAHPJMRDX-GOSISDBHSA-N 2 2 366.437 0.594 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(F)cn1 ZINC001276944690 1225755203 /nfs/dbraw/zinc/75/52/03/1225755203.db2.gz WFMCRRAHPJMRDX-GOSISDBHSA-N 2 2 366.437 0.594 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@@H+]1C ZINC001043263623 1217619741 /nfs/dbraw/zinc/61/97/41/1217619741.db2.gz MYXXQBOYJWQSHX-TZMCWYRMSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@H+]1C ZINC001043263623 1217619745 /nfs/dbraw/zinc/61/97/45/1217619745.db2.gz MYXXQBOYJWQSHX-TZMCWYRMSA-N 2 2 371.441 0.206 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4C)[C@H]3C2)cc(C)[nH+]1 ZINC001043729067 1217721075 /nfs/dbraw/zinc/72/10/75/1217721075.db2.gz IKNULJFKZJITSM-JKSUJKDBSA-N 2 2 370.457 0.969 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190238 1225763772 /nfs/dbraw/zinc/76/37/72/1225763772.db2.gz JUQBBWMZMXEIMF-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190238 1225763776 /nfs/dbraw/zinc/76/37/76/1225763776.db2.gz JUQBBWMZMXEIMF-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190238 1225763778 /nfs/dbraw/zinc/76/37/78/1225763778.db2.gz JUQBBWMZMXEIMF-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(C)C)[C@H]3C2)C1 ZINC001224190238 1225763784 /nfs/dbraw/zinc/76/37/84/1225763784.db2.gz JUQBBWMZMXEIMF-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306372 1225771970 /nfs/dbraw/zinc/77/19/70/1225771970.db2.gz GIHBOYKPRPRVQX-MSOLQXFVSA-N 2 2 358.486 0.787 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306372 1225771972 /nfs/dbraw/zinc/77/19/72/1225771972.db2.gz GIHBOYKPRPRVQX-MSOLQXFVSA-N 2 2 358.486 0.787 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306372 1225771977 /nfs/dbraw/zinc/77/19/77/1225771977.db2.gz GIHBOYKPRPRVQX-MSOLQXFVSA-N 2 2 358.486 0.787 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306372 1225771983 /nfs/dbraw/zinc/77/19/83/1225771983.db2.gz GIHBOYKPRPRVQX-MSOLQXFVSA-N 2 2 358.486 0.787 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044382372 1217842061 /nfs/dbraw/zinc/84/20/61/1217842061.db2.gz JWJGETUTMSDDSF-CVEARBPZSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044684617 1217870519 /nfs/dbraw/zinc/87/05/19/1217870519.db2.gz JGWMKSIZNRZJLD-FPCVCCKLSA-N 2 2 361.490 0.914 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044684617 1217870523 /nfs/dbraw/zinc/87/05/23/1217870523.db2.gz JGWMKSIZNRZJLD-FPCVCCKLSA-N 2 2 361.490 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001045561491 1217941174 /nfs/dbraw/zinc/94/11/74/1217941174.db2.gz QMACTTYTWQUXGQ-KFWWJZLASA-N 2 2 359.474 0.725 20 0 FCADLP C[NH2+][C@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)Cc1ccccc1 ZINC000900019882 1217954963 /nfs/dbraw/zinc/95/49/63/1217954963.db2.gz HEUINWUXNROBJS-INIZCTEOSA-N 2 2 354.458 0.998 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046062436 1217992589 /nfs/dbraw/zinc/99/25/89/1217992589.db2.gz GWKGRTYIZJCZHY-GVDBMIGSSA-N 2 2 361.490 0.125 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046062436 1217992593 /nfs/dbraw/zinc/99/25/93/1217992593.db2.gz GWKGRTYIZJCZHY-GVDBMIGSSA-N 2 2 361.490 0.125 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000900602739 1218011843 /nfs/dbraw/zinc/01/18/43/1218011843.db2.gz RUEPLBLPTATHJL-RTBURBONSA-N 2 2 366.550 0.850 20 0 FCADLP COc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046420178 1218034831 /nfs/dbraw/zinc/03/48/31/1218034831.db2.gz CWUWYRYVPUEKHB-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046420178 1218034837 /nfs/dbraw/zinc/03/48/37/1218034837.db2.gz CWUWYRYVPUEKHB-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046420178 1218034841 /nfs/dbraw/zinc/03/48/41/1218034841.db2.gz CWUWYRYVPUEKHB-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046420178 1218034845 /nfs/dbraw/zinc/03/48/45/1218034845.db2.gz CWUWYRYVPUEKHB-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900808768 1218040856 /nfs/dbraw/zinc/04/08/56/1218040856.db2.gz WUZKFIJANJWLGX-ROUUACIJSA-N 2 2 374.533 0.344 20 0 FCADLP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900808768 1218040860 /nfs/dbraw/zinc/04/08/60/1218040860.db2.gz WUZKFIJANJWLGX-ROUUACIJSA-N 2 2 374.533 0.344 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)n1 ZINC001048872980 1218331964 /nfs/dbraw/zinc/33/19/64/1218331964.db2.gz JNVYUGIJVLLGQW-YYIAUSFCSA-N 2 2 369.473 0.812 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)n1 ZINC001048872980 1218331969 /nfs/dbraw/zinc/33/19/69/1218331969.db2.gz JNVYUGIJVLLGQW-YYIAUSFCSA-N 2 2 369.473 0.812 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)n1 ZINC001048872980 1218331976 /nfs/dbraw/zinc/33/19/76/1218331976.db2.gz JNVYUGIJVLLGQW-YYIAUSFCSA-N 2 2 369.473 0.812 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)n1 ZINC001048872980 1218331980 /nfs/dbraw/zinc/33/19/80/1218331980.db2.gz JNVYUGIJVLLGQW-YYIAUSFCSA-N 2 2 369.473 0.812 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001048953110 1218351721 /nfs/dbraw/zinc/35/17/21/1218351721.db2.gz VMABSVIYNMLKGQ-XDNAFOTISA-N 2 2 369.481 0.616 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001048953110 1218351724 /nfs/dbraw/zinc/35/17/24/1218351724.db2.gz VMABSVIYNMLKGQ-XDNAFOTISA-N 2 2 369.481 0.616 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049068065 1218374227 /nfs/dbraw/zinc/37/42/27/1218374227.db2.gz JAFLXVSEGSQRKF-OCVGTWLNSA-N 2 2 357.458 0.192 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049068065 1218374233 /nfs/dbraw/zinc/37/42/33/1218374233.db2.gz JAFLXVSEGSQRKF-OCVGTWLNSA-N 2 2 357.458 0.192 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)C1=O ZINC001049068201 1218374728 /nfs/dbraw/zinc/37/47/28/1218374728.db2.gz MUUBPCAWQCLBTM-ZHCJQAHYSA-N 2 2 371.485 0.535 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)C1=O ZINC001049068201 1218374732 /nfs/dbraw/zinc/37/47/32/1218374732.db2.gz MUUBPCAWQCLBTM-ZHCJQAHYSA-N 2 2 371.485 0.535 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001049067911 1218375025 /nfs/dbraw/zinc/37/50/25/1218375025.db2.gz CVKNCQSORYYUGF-YYIAUSFCSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001049067911 1218375032 /nfs/dbraw/zinc/37/50/32/1218375032.db2.gz CVKNCQSORYYUGF-YYIAUSFCSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049068691 1218375060 /nfs/dbraw/zinc/37/50/60/1218375060.db2.gz ZJVWVDXBHVNJLC-YYIAUSFCSA-N 2 2 354.458 0.811 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049068691 1218375068 /nfs/dbraw/zinc/37/50/68/1218375068.db2.gz ZJVWVDXBHVNJLC-YYIAUSFCSA-N 2 2 354.458 0.811 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)NC2CC2)O1 ZINC001049547470 1218484734 /nfs/dbraw/zinc/48/47/34/1218484734.db2.gz FHRVKWRLCODZFL-MWQQHZPXSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)NC2CC2)O1 ZINC001049547470 1218484738 /nfs/dbraw/zinc/48/47/38/1218484738.db2.gz FHRVKWRLCODZFL-MWQQHZPXSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)O1 ZINC001049547470 1218484748 /nfs/dbraw/zinc/48/47/48/1218484748.db2.gz FHRVKWRLCODZFL-MWQQHZPXSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)O1 ZINC001049547470 1218484754 /nfs/dbraw/zinc/48/47/54/1218484754.db2.gz FHRVKWRLCODZFL-MWQQHZPXSA-N 2 2 364.490 0.049 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](Cc3cnnn3C)CC2)C1=O ZINC001277073006 1225824688 /nfs/dbraw/zinc/82/46/88/1225824688.db2.gz XJJMVDONSBENBO-GOSISDBHSA-N 2 2 357.462 0.953 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](Cc3cnnn3C)CC2)C1=O ZINC001277073006 1225824690 /nfs/dbraw/zinc/82/46/90/1225824690.db2.gz XJJMVDONSBENBO-GOSISDBHSA-N 2 2 357.462 0.953 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887942 1218631502 /nfs/dbraw/zinc/63/15/02/1218631502.db2.gz XODJYKINADIOIZ-WCVJEAGWSA-N 2 2 370.457 0.338 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887942 1218631506 /nfs/dbraw/zinc/63/15/06/1218631506.db2.gz XODJYKINADIOIZ-WCVJEAGWSA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887942 1218631509 /nfs/dbraw/zinc/63/15/09/1218631509.db2.gz XODJYKINADIOIZ-WCVJEAGWSA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887942 1218631513 /nfs/dbraw/zinc/63/15/13/1218631513.db2.gz XODJYKINADIOIZ-WCVJEAGWSA-N 2 2 370.457 0.338 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001096914164 1218639044 /nfs/dbraw/zinc/63/90/44/1218639044.db2.gz JMRVOSFKGCJZLN-NKGKWGDASA-N 2 2 371.441 0.775 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001096914164 1218639052 /nfs/dbraw/zinc/63/90/52/1218639052.db2.gz JMRVOSFKGCJZLN-NKGKWGDASA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc3nonc3c2)C1 ZINC001096914164 1218639055 /nfs/dbraw/zinc/63/90/55/1218639055.db2.gz JMRVOSFKGCJZLN-NKGKWGDASA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc3nonc3c2)C1 ZINC001096914164 1218639061 /nfs/dbraw/zinc/63/90/61/1218639061.db2.gz JMRVOSFKGCJZLN-NKGKWGDASA-N 2 2 371.441 0.775 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)n1 ZINC001096914431 1218639669 /nfs/dbraw/zinc/63/96/69/1218639669.db2.gz SYEWMQNZDBIHHO-ZJPYXAASSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001096914431 1218639671 /nfs/dbraw/zinc/63/96/71/1218639671.db2.gz SYEWMQNZDBIHHO-ZJPYXAASSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001096914431 1218639677 /nfs/dbraw/zinc/63/96/77/1218639677.db2.gz SYEWMQNZDBIHHO-ZJPYXAASSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001096914431 1218639680 /nfs/dbraw/zinc/63/96/80/1218639680.db2.gz SYEWMQNZDBIHHO-ZJPYXAASSA-N 2 2 361.490 0.552 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)n1 ZINC001097093253 1218686833 /nfs/dbraw/zinc/68/68/33/1218686833.db2.gz FGRHGDMSSFDXAB-OIISXLGYSA-N 2 2 374.489 0.012 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)n1 ZINC001097093253 1218686836 /nfs/dbraw/zinc/68/68/36/1218686836.db2.gz FGRHGDMSSFDXAB-OIISXLGYSA-N 2 2 374.489 0.012 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]ccn21 ZINC001097220277 1218725152 /nfs/dbraw/zinc/72/51/52/1218725152.db2.gz WENCLNCFZRMDLS-LVQVYYBASA-N 2 2 355.446 0.774 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]ccn21 ZINC001097220277 1218725157 /nfs/dbraw/zinc/72/51/57/1218725157.db2.gz WENCLNCFZRMDLS-LVQVYYBASA-N 2 2 355.446 0.774 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2)N1CCC1 ZINC001097579718 1218824300 /nfs/dbraw/zinc/82/43/00/1218824300.db2.gz BAAHHIWXUFXAQT-VXNCWWDNSA-N 2 2 360.502 0.815 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2)N1CCC1 ZINC001097579718 1218824302 /nfs/dbraw/zinc/82/43/02/1218824302.db2.gz BAAHHIWXUFXAQT-VXNCWWDNSA-N 2 2 360.502 0.815 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)CC2 ZINC001097737602 1218842831 /nfs/dbraw/zinc/84/28/31/1218842831.db2.gz QLCMNOVUCSGWRL-AHCXZYCDSA-N 2 2 369.473 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)CC2 ZINC001097737602 1218842832 /nfs/dbraw/zinc/84/28/32/1218842832.db2.gz QLCMNOVUCSGWRL-AHCXZYCDSA-N 2 2 369.473 0.767 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001052917727 1218867784 /nfs/dbraw/zinc/86/77/84/1218867784.db2.gz XXZFESOQLBELTF-HZSPNIEDSA-N 2 2 357.462 0.504 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001052917727 1218867786 /nfs/dbraw/zinc/86/77/86/1218867786.db2.gz XXZFESOQLBELTF-HZSPNIEDSA-N 2 2 357.462 0.504 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC4CCOCC4)C3)C2)O1 ZINC001053304358 1218879466 /nfs/dbraw/zinc/87/94/66/1218879466.db2.gz HTZINBIJIUHKFR-NVXWUHKLSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC4CCOCC4)C3)C2)O1 ZINC001053304358 1218879467 /nfs/dbraw/zinc/87/94/67/1218879467.db2.gz HTZINBIJIUHKFR-NVXWUHKLSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@@H+]1C ZINC001054134672 1218899044 /nfs/dbraw/zinc/89/90/44/1218899044.db2.gz KNIRWVYBYSXDGZ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@H+]1C ZINC001054134672 1218899047 /nfs/dbraw/zinc/89/90/47/1218899047.db2.gz KNIRWVYBYSXDGZ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001054134672 1218899048 /nfs/dbraw/zinc/89/90/48/1218899048.db2.gz KNIRWVYBYSXDGZ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001054134672 1218899049 /nfs/dbraw/zinc/89/90/49/1218899049.db2.gz KNIRWVYBYSXDGZ-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1)NC1CC1 ZINC001227164685 1225864802 /nfs/dbraw/zinc/86/48/02/1225864802.db2.gz DZFKTUBGXYOUGM-IAOVAPTHSA-N 2 2 359.474 0.741 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001055366179 1219035730 /nfs/dbraw/zinc/03/57/30/1219035730.db2.gz IIKKNGGESLGTHN-YUELXQCFSA-N 2 2 367.457 0.685 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165122 1225865359 /nfs/dbraw/zinc/86/53/59/1225865359.db2.gz JQVMJDRXMFNVLW-RRFJBIMHSA-N 2 2 361.490 0.976 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165122 1225865361 /nfs/dbraw/zinc/86/53/61/1225865361.db2.gz JQVMJDRXMFNVLW-RRFJBIMHSA-N 2 2 361.490 0.976 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001055385225 1219039266 /nfs/dbraw/zinc/03/92/66/1219039266.db2.gz XCIMOAWSVGKYMI-QKPAOTATSA-N 2 2 359.474 0.772 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001055385225 1219039270 /nfs/dbraw/zinc/03/92/70/1219039270.db2.gz XCIMOAWSVGKYMI-QKPAOTATSA-N 2 2 359.474 0.772 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001055385225 1219039274 /nfs/dbraw/zinc/03/92/74/1219039274.db2.gz XCIMOAWSVGKYMI-QKPAOTATSA-N 2 2 359.474 0.772 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001055385225 1219039277 /nfs/dbraw/zinc/03/92/77/1219039277.db2.gz XCIMOAWSVGKYMI-QKPAOTATSA-N 2 2 359.474 0.772 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211313 1225866150 /nfs/dbraw/zinc/86/61/50/1225866150.db2.gz DPJQOAAFSSGMEW-HUUCEWRRSA-N 2 2 365.478 0.891 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001055595817 1219094896 /nfs/dbraw/zinc/09/48/96/1219094896.db2.gz GGXQFEQUNPCRCK-GDBMZVCRSA-N 2 2 363.462 0.147 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000804058607 1219112079 /nfs/dbraw/zinc/11/20/79/1219112079.db2.gz HXSGTNHDPKGTIH-QLFBSQMISA-N 2 2 361.446 0.095 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000804058607 1219112084 /nfs/dbraw/zinc/11/20/84/1219112084.db2.gz HXSGTNHDPKGTIH-QLFBSQMISA-N 2 2 361.446 0.095 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113275 1219118991 /nfs/dbraw/zinc/11/89/91/1219118991.db2.gz PJUPXDRWOYSFCQ-YYQUZTFQSA-N 2 2 368.441 0.737 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113275 1219118993 /nfs/dbraw/zinc/11/89/93/1219118993.db2.gz PJUPXDRWOYSFCQ-YYQUZTFQSA-N 2 2 368.441 0.737 20 0 FCADLP CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064147 1219127367 /nfs/dbraw/zinc/12/73/67/1219127367.db2.gz DGDNZZXLIROHHN-CVEARBPZSA-N 2 2 352.402 0.534 20 0 FCADLP CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](n2ccnn2)C1 ZINC001070064147 1219127369 /nfs/dbraw/zinc/12/73/69/1219127369.db2.gz DGDNZZXLIROHHN-CVEARBPZSA-N 2 2 352.402 0.534 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](n2ccnn2)C1 ZINC001070074026 1219140993 /nfs/dbraw/zinc/14/09/93/1219140993.db2.gz UYTFYFKNMVBLMN-SJORKVTESA-N 2 2 366.429 0.923 20 0 FCADLP CC(C)[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](n2ccnn2)C1 ZINC001070074026 1219140998 /nfs/dbraw/zinc/14/09/98/1219140998.db2.gz UYTFYFKNMVBLMN-SJORKVTESA-N 2 2 366.429 0.923 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1)OC ZINC001070076803 1219144392 /nfs/dbraw/zinc/14/43/92/1219144392.db2.gz UYMFJMDXCRXVCU-XHSDSOJGSA-N 2 2 361.450 0.021 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1)OC ZINC001070076803 1219144398 /nfs/dbraw/zinc/14/43/98/1219144398.db2.gz UYMFJMDXCRXVCU-XHSDSOJGSA-N 2 2 361.450 0.021 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070080635 1219150736 /nfs/dbraw/zinc/15/07/36/1219150736.db2.gz PWMALGNLXWTDJK-ZBFHGGJFSA-N 2 2 361.425 0.754 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070080635 1219150739 /nfs/dbraw/zinc/15/07/39/1219150739.db2.gz PWMALGNLXWTDJK-ZBFHGGJFSA-N 2 2 361.425 0.754 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097355 1219169053 /nfs/dbraw/zinc/16/90/53/1219169053.db2.gz NZDHYGDQFJWEGE-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097355 1219169058 /nfs/dbraw/zinc/16/90/58/1219169058.db2.gz NZDHYGDQFJWEGE-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097355 1219169063 /nfs/dbraw/zinc/16/90/63/1219169063.db2.gz NZDHYGDQFJWEGE-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097355 1219169067 /nfs/dbraw/zinc/16/90/67/1219169067.db2.gz NZDHYGDQFJWEGE-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098615 1219169963 /nfs/dbraw/zinc/16/99/63/1219169963.db2.gz IVDGUTNCJYLTOK-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098615 1219169965 /nfs/dbraw/zinc/16/99/65/1219169965.db2.gz IVDGUTNCJYLTOK-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217531 1219299350 /nfs/dbraw/zinc/29/93/50/1219299350.db2.gz HHOZBLMVCHNMQV-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327134 1219377557 /nfs/dbraw/zinc/37/75/57/1219377557.db2.gz UDDOYLZTHOQYDZ-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327134 1219377560 /nfs/dbraw/zinc/37/75/60/1219377560.db2.gz UDDOYLZTHOQYDZ-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001070381596 1219406712 /nfs/dbraw/zinc/40/67/12/1219406712.db2.gz JZSAXCSDPCKYBA-APWZRJJASA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NCC3CCC3)CC2)O1 ZINC001227954677 1225891661 /nfs/dbraw/zinc/89/16/61/1225891661.db2.gz WTQJDDRCPSIXMK-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)NCC3CCC3)CC2)O1 ZINC001227954677 1225891663 /nfs/dbraw/zinc/89/16/63/1225891663.db2.gz WTQJDDRCPSIXMK-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001070516270 1219448797 /nfs/dbraw/zinc/44/87/97/1219448797.db2.gz CHWROKSINVKJQK-IJEWVQPXSA-N 2 2 360.462 0.051 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001070694988 1219528592 /nfs/dbraw/zinc/52/85/92/1219528592.db2.gz KMMSEQDQCYVMRV-NUEKZKHPSA-N 2 2 358.446 0.306 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001070714816 1219539138 /nfs/dbraw/zinc/53/91/38/1219539138.db2.gz HMEIMNAPCTYGDI-FVQBIDKESA-N 2 2 360.462 0.051 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070718983 1219541545 /nfs/dbraw/zinc/54/15/45/1219541545.db2.gz NNHVJWVYEDDLCG-HZPDHXFCSA-N 2 2 369.473 0.390 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001070922196 1219579038 /nfs/dbraw/zinc/57/90/38/1219579038.db2.gz CXPLTBVLXXFFTN-BMFZPTHFSA-N 2 2 361.446 0.775 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001070922196 1219579041 /nfs/dbraw/zinc/57/90/41/1219579041.db2.gz CXPLTBVLXXFFTN-BMFZPTHFSA-N 2 2 361.446 0.775 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070926882 1219583897 /nfs/dbraw/zinc/58/38/97/1219583897.db2.gz NWRQREOPRLZWEE-OAGGEKHMSA-N 2 2 361.446 0.645 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070926882 1219583900 /nfs/dbraw/zinc/58/39/00/1219583900.db2.gz NWRQREOPRLZWEE-OAGGEKHMSA-N 2 2 361.446 0.645 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(=O)NCC[NH+](CCC3CC3)CC2)O1 ZINC001070972722 1219586054 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/nfs/dbraw/zinc/60/41/38/1219604138.db2.gz KDRLOJKJVQOETE-UXLLHSPISA-N 2 2 363.462 0.202 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001071095809 1219605358 /nfs/dbraw/zinc/60/53/58/1219605358.db2.gz QFXKJUNURDSUAW-CPUCHLNUSA-N 2 2 363.462 0.202 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071323543 1219613642 /nfs/dbraw/zinc/61/36/42/1219613642.db2.gz PYJDZDUSXXYURS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071323543 1219613647 /nfs/dbraw/zinc/61/36/47/1219613647.db2.gz PYJDZDUSXXYURS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP COCCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074657837 1219711326 /nfs/dbraw/zinc/71/13/26/1219711326.db2.gz HOHKZBFHMWKDGV-BARDWOONSA-N 2 2 365.478 0.678 20 0 FCADLP COCCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074657837 1219711330 /nfs/dbraw/zinc/71/13/30/1219711330.db2.gz HOHKZBFHMWKDGV-BARDWOONSA-N 2 2 365.478 0.678 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)[C@@H]2C)CC[N@@H+]1C ZINC001074663516 1219712124 /nfs/dbraw/zinc/71/21/24/1219712124.db2.gz ZABZIEPKFWISDA-ZQDZILKHSA-N 2 2 364.494 0.945 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)[C@@H]2C)CC[N@H+]1C ZINC001074663516 1219712126 /nfs/dbraw/zinc/71/21/26/1219712126.db2.gz ZABZIEPKFWISDA-ZQDZILKHSA-N 2 2 364.494 0.945 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001098229076 1219745224 /nfs/dbraw/zinc/74/52/24/1219745224.db2.gz HXWZEHZPWCEOCH-UNEWFSDZSA-N 2 2 357.458 0.715 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001098229076 1219745228 /nfs/dbraw/zinc/74/52/28/1219745228.db2.gz HXWZEHZPWCEOCH-UNEWFSDZSA-N 2 2 357.458 0.715 20 0 FCADLP COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)c(C)n1 ZINC001098394816 1219772458 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/nfs/dbraw/zinc/82/38/29/1219823829.db2.gz ZPDWPXJTILIXPP-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098774385 1219823833 /nfs/dbraw/zinc/82/38/33/1219823833.db2.gz ZPDWPXJTILIXPP-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098774385 1219823834 /nfs/dbraw/zinc/82/38/34/1219823834.db2.gz ZPDWPXJTILIXPP-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841168 1219837911 /nfs/dbraw/zinc/83/79/11/1219837911.db2.gz BVLBUVPFSCAMCH-BXWFABGCSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841168 1219837913 /nfs/dbraw/zinc/83/79/13/1219837913.db2.gz BVLBUVPFSCAMCH-BXWFABGCSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841456 1219838051 /nfs/dbraw/zinc/83/80/51/1219838051.db2.gz JIUCLLPUXDTHSK-FCEWJHQRSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841456 1219838052 /nfs/dbraw/zinc/83/80/52/1219838052.db2.gz JIUCLLPUXDTHSK-FCEWJHQRSA-N 2 2 358.490 0.628 20 0 FCADLP NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935910 1219868413 /nfs/dbraw/zinc/86/84/13/1219868413.db2.gz RGSGYJSNEXWZHE-UGSOOPFHSA-N 2 2 354.414 0.337 20 0 FCADLP NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935910 1219868415 /nfs/dbraw/zinc/86/84/15/1219868415.db2.gz RGSGYJSNEXWZHE-UGSOOPFHSA-N 2 2 354.414 0.337 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001099035661 1219895117 /nfs/dbraw/zinc/89/51/17/1219895117.db2.gz GTMIXYTZILUACM-MNFOOTCESA-N 2 2 371.485 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001099035661 1219895120 /nfs/dbraw/zinc/89/51/20/1219895120.db2.gz GTMIXYTZILUACM-MNFOOTCESA-N 2 2 371.485 0.773 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159922 1219935469 /nfs/dbraw/zinc/93/54/69/1219935469.db2.gz MFJHAKJHCQYJFO-GLJUWKHASA-N 2 2 361.446 0.536 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159922 1219935470 /nfs/dbraw/zinc/93/54/70/1219935470.db2.gz MFJHAKJHCQYJFO-GLJUWKHASA-N 2 2 361.446 0.536 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159922 1219935473 /nfs/dbraw/zinc/93/54/73/1219935473.db2.gz MFJHAKJHCQYJFO-GLJUWKHASA-N 2 2 361.446 0.536 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159922 1219935475 /nfs/dbraw/zinc/93/54/75/1219935475.db2.gz MFJHAKJHCQYJFO-GLJUWKHASA-N 2 2 361.446 0.536 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001099157992 1219935639 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/nfs/dbraw/zinc/24/94/34/1220249434.db2.gz DKSJGJQKAGOGAS-VKJFTORMSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001101257028 1220249437 /nfs/dbraw/zinc/24/94/37/1220249437.db2.gz DKSJGJQKAGOGAS-VKJFTORMSA-N 2 2 366.485 0.775 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001101278286 1220264519 /nfs/dbraw/zinc/26/45/19/1220264519.db2.gz BQGIQBMDYWFSNG-VCBZYWHSSA-N 2 2 358.442 0.964 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001101278286 1220264523 /nfs/dbraw/zinc/26/45/23/1220264523.db2.gz BQGIQBMDYWFSNG-VCBZYWHSSA-N 2 2 358.442 0.964 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308308 1220280384 /nfs/dbraw/zinc/28/03/84/1220280384.db2.gz FUJPOCYSOCSKQO-BEFAXECRSA-N 2 2 361.490 0.611 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308308 1220280388 /nfs/dbraw/zinc/28/03/88/1220280388.db2.gz FUJPOCYSOCSKQO-BEFAXECRSA-N 2 2 361.490 0.611 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352223 1220298531 /nfs/dbraw/zinc/29/85/31/1220298531.db2.gz XLWPXFYUAFEXOW-IYOUNJFTSA-N 2 2 361.494 0.801 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352223 1220298534 /nfs/dbraw/zinc/29/85/34/1220298534.db2.gz XLWPXFYUAFEXOW-IYOUNJFTSA-N 2 2 361.494 0.801 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001101360642 1220301662 /nfs/dbraw/zinc/30/16/62/1220301662.db2.gz CCUANAKJJSMMQA-LPMFXHHGSA-N 2 2 359.474 0.746 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001101360642 1220301665 /nfs/dbraw/zinc/30/16/65/1220301665.db2.gz CCUANAKJJSMMQA-LPMFXHHGSA-N 2 2 359.474 0.746 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378825 1220309502 /nfs/dbraw/zinc/30/95/02/1220309502.db2.gz HLFNMEULFCDKTI-BEFAXECRSA-N 2 2 361.490 0.923 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001101378825 1220309507 /nfs/dbraw/zinc/30/95/07/1220309507.db2.gz HLFNMEULFCDKTI-BEFAXECRSA-N 2 2 361.490 0.923 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(C(=O)Cc2cc[nH+]c(N)c2)C3)CC1 ZINC001277331928 1225955942 /nfs/dbraw/zinc/95/59/42/1225955942.db2.gz UGMUSCSGMRSDEK-AUUYWEPGSA-N 2 2 357.458 0.265 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404626 1220326599 /nfs/dbraw/zinc/32/65/99/1220326599.db2.gz IBZBSAPUONIDBK-CLCXKQKWSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404626 1220326602 /nfs/dbraw/zinc/32/66/02/1220326602.db2.gz IBZBSAPUONIDBK-CLCXKQKWSA-N 2 2 361.490 0.989 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101430103 1220339912 /nfs/dbraw/zinc/33/99/12/1220339912.db2.gz PDDNJDAHJCQERM-BEFAXECRSA-N 2 2 359.474 0.269 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001101430103 1220339913 /nfs/dbraw/zinc/33/99/13/1220339913.db2.gz PDDNJDAHJCQERM-BEFAXECRSA-N 2 2 359.474 0.269 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430133 1220340061 /nfs/dbraw/zinc/34/00/61/1220340061.db2.gz QHDIMDVTGLCTRE-BEFAXECRSA-N 2 2 361.490 0.610 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430133 1220340064 /nfs/dbraw/zinc/34/00/64/1220340064.db2.gz QHDIMDVTGLCTRE-BEFAXECRSA-N 2 2 361.490 0.610 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432503 1220340972 /nfs/dbraw/zinc/34/09/72/1220340972.db2.gz UJQAPXGUFIUWBS-KDOFPFPSSA-N 2 2 365.478 0.491 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101432503 1220340977 /nfs/dbraw/zinc/34/09/77/1220340977.db2.gz UJQAPXGUFIUWBS-KDOFPFPSSA-N 2 2 365.478 0.491 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441495 1220346860 /nfs/dbraw/zinc/34/68/60/1220346860.db2.gz WHUTWIQKNQKRKH-DAYGRLMNSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441495 1220346865 /nfs/dbraw/zinc/34/68/65/1220346865.db2.gz WHUTWIQKNQKRKH-DAYGRLMNSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441495 1220346868 /nfs/dbraw/zinc/34/68/68/1220346868.db2.gz WHUTWIQKNQKRKH-DAYGRLMNSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441495 1220346873 /nfs/dbraw/zinc/34/68/73/1220346873.db2.gz WHUTWIQKNQKRKH-DAYGRLMNSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101443597 1220348091 /nfs/dbraw/zinc/34/80/91/1220348091.db2.gz LTKRIPKIHWDSIB-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101443597 1220348094 /nfs/dbraw/zinc/34/80/94/1220348094.db2.gz LTKRIPKIHWDSIB-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101443597 1220348097 /nfs/dbraw/zinc/34/80/97/1220348097.db2.gz LTKRIPKIHWDSIB-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001101443597 1220348101 /nfs/dbraw/zinc/34/81/01/1220348101.db2.gz LTKRIPKIHWDSIB-KDOFPFPSSA-N 2 2 363.462 0.735 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469173 1220363985 /nfs/dbraw/zinc/36/39/85/1220363985.db2.gz FFNDCGPAXOTBMG-GJYPPUQNSA-N 2 2 366.506 0.012 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469173 1220363988 /nfs/dbraw/zinc/36/39/88/1220363988.db2.gz FFNDCGPAXOTBMG-GJYPPUQNSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469173 1220363991 /nfs/dbraw/zinc/36/39/91/1220363991.db2.gz FFNDCGPAXOTBMG-GJYPPUQNSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469173 1220363993 /nfs/dbraw/zinc/36/39/93/1220363993.db2.gz FFNDCGPAXOTBMG-GJYPPUQNSA-N 2 2 366.506 0.012 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487299 1220372142 /nfs/dbraw/zinc/37/21/42/1220372142.db2.gz WYONHVGZLNROHW-APWZRJJASA-N 2 2 361.490 0.970 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487299 1220372144 /nfs/dbraw/zinc/37/21/44/1220372144.db2.gz WYONHVGZLNROHW-APWZRJJASA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928089 1220435686 /nfs/dbraw/zinc/43/56/86/1220435686.db2.gz UFYHIAQYGZNSKD-OAGGEKHMSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928089 1220435688 /nfs/dbraw/zinc/43/56/88/1220435688.db2.gz UFYHIAQYGZNSKD-OAGGEKHMSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101987061 1220453374 /nfs/dbraw/zinc/45/33/74/1220453374.db2.gz WNQRDXYUXRHBFF-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101987061 1220453378 /nfs/dbraw/zinc/45/33/78/1220453378.db2.gz WNQRDXYUXRHBFF-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986607 1220453435 /nfs/dbraw/zinc/45/34/35/1220453435.db2.gz CKEKUBWVTBBRGI-BFYDXBDKSA-N 2 2 364.490 0.453 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986607 1220453437 /nfs/dbraw/zinc/45/34/37/1220453437.db2.gz CKEKUBWVTBBRGI-BFYDXBDKSA-N 2 2 364.490 0.453 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986635 1220453462 /nfs/dbraw/zinc/45/34/62/1220453462.db2.gz DGINAJWUQWFYJE-HZPDHXFCSA-N 2 2 371.489 0.738 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986635 1220453466 /nfs/dbraw/zinc/45/34/66/1220453466.db2.gz DGINAJWUQWFYJE-HZPDHXFCSA-N 2 2 371.489 0.738 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102366885 1220594930 /nfs/dbraw/zinc/59/49/30/1220594930.db2.gz TYQNOFWWBRRMAO-RBSFLKMASA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102366885 1220594935 /nfs/dbraw/zinc/59/49/35/1220594935.db2.gz TYQNOFWWBRRMAO-RBSFLKMASA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102366885 1220594942 /nfs/dbraw/zinc/59/49/42/1220594942.db2.gz TYQNOFWWBRRMAO-RBSFLKMASA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102366885 1220594944 /nfs/dbraw/zinc/59/49/44/1220594944.db2.gz TYQNOFWWBRRMAO-RBSFLKMASA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370320 1220595606 /nfs/dbraw/zinc/59/56/06/1220595606.db2.gz WXRYZAKTHUFEBL-RBSFLKMASA-N 2 2 364.494 0.662 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370320 1220595609 /nfs/dbraw/zinc/59/56/09/1220595609.db2.gz WXRYZAKTHUFEBL-RBSFLKMASA-N 2 2 364.494 0.662 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370320 1220595614 /nfs/dbraw/zinc/59/56/14/1220595614.db2.gz WXRYZAKTHUFEBL-RBSFLKMASA-N 2 2 364.494 0.662 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370320 1220595616 /nfs/dbraw/zinc/59/56/16/1220595616.db2.gz WXRYZAKTHUFEBL-RBSFLKMASA-N 2 2 364.494 0.662 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375401 1220599397 /nfs/dbraw/zinc/59/93/97/1220599397.db2.gz HMNIKEQAYQHZFA-ZIAGYGMSSA-N 2 2 366.510 0.270 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375401 1220599401 /nfs/dbraw/zinc/59/94/01/1220599401.db2.gz HMNIKEQAYQHZFA-ZIAGYGMSSA-N 2 2 366.510 0.270 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375401 1220599414 /nfs/dbraw/zinc/59/94/14/1220599414.db2.gz HMNIKEQAYQHZFA-ZIAGYGMSSA-N 2 2 366.510 0.270 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375401 1220599421 /nfs/dbraw/zinc/59/94/21/1220599421.db2.gz HMNIKEQAYQHZFA-ZIAGYGMSSA-N 2 2 366.510 0.270 20 0 FCADLP Cc1ccc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1 ZINC001102424871 1220618964 /nfs/dbraw/zinc/61/89/64/1220618964.db2.gz CAOKHUCFZZXURV-IAGOWNOFSA-N 2 2 360.506 0.706 20 0 FCADLP Cc1ccc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1 ZINC001102424871 1220618967 /nfs/dbraw/zinc/61/89/67/1220618967.db2.gz CAOKHUCFZZXURV-IAGOWNOFSA-N 2 2 360.506 0.706 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102466745 1220636469 /nfs/dbraw/zinc/63/64/69/1220636469.db2.gz VSLXZMDLMBBBLP-UKRRQHHQSA-N 2 2 360.466 0.380 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102466745 1220636471 /nfs/dbraw/zinc/63/64/71/1220636471.db2.gz VSLXZMDLMBBBLP-UKRRQHHQSA-N 2 2 360.466 0.380 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466949 1220636905 /nfs/dbraw/zinc/63/69/05/1220636905.db2.gz ZZXOMCJHMXRNCK-IAGOWNOFSA-N 2 2 363.506 0.809 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466949 1220636909 /nfs/dbraw/zinc/63/69/09/1220636909.db2.gz ZZXOMCJHMXRNCK-IAGOWNOFSA-N 2 2 363.506 0.809 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102473622 1220643526 /nfs/dbraw/zinc/64/35/26/1220643526.db2.gz JEWYIAMCTBFPJH-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC001102473622 1220643529 /nfs/dbraw/zinc/64/35/29/1220643529.db2.gz JEWYIAMCTBFPJH-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512980 1220671923 /nfs/dbraw/zinc/67/19/23/1220671923.db2.gz NZKYDQFAOSCNCX-BZUAXINKSA-N 2 2 363.506 0.807 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512980 1220671925 /nfs/dbraw/zinc/67/19/25/1220671925.db2.gz NZKYDQFAOSCNCX-BZUAXINKSA-N 2 2 363.506 0.807 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513034 1220672847 /nfs/dbraw/zinc/67/28/47/1220672847.db2.gz QKPUJVGAXDUBBD-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513034 1220672850 /nfs/dbraw/zinc/67/28/50/1220672850.db2.gz QKPUJVGAXDUBBD-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514834 1220674280 /nfs/dbraw/zinc/67/42/80/1220674280.db2.gz PWRIRPGFGJAJSL-RBSFLKMASA-N 2 2 363.506 0.950 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514834 1220674283 /nfs/dbraw/zinc/67/42/83/1220674283.db2.gz PWRIRPGFGJAJSL-RBSFLKMASA-N 2 2 363.506 0.950 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102532311 1220684349 /nfs/dbraw/zinc/68/43/49/1220684349.db2.gz FUADTWZKNBHTPE-DVOMOZLQSA-N 2 2 361.490 0.859 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1C ZINC001102532311 1220684352 /nfs/dbraw/zinc/68/43/52/1220684352.db2.gz FUADTWZKNBHTPE-DVOMOZLQSA-N 2 2 361.490 0.859 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1C ZINC001102531822 1220685042 /nfs/dbraw/zinc/68/50/42/1220685042.db2.gz HOWDCTDKWJHIJH-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1C ZINC001102531822 1220685045 /nfs/dbraw/zinc/68/50/45/1220685045.db2.gz HOWDCTDKWJHIJH-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579717 1220701533 /nfs/dbraw/zinc/70/15/33/1220701533.db2.gz LRFGMTVXASAHHC-HUUCEWRRSA-N 2 2 362.478 0.088 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579717 1220701537 /nfs/dbraw/zinc/70/15/37/1220701537.db2.gz LRFGMTVXASAHHC-HUUCEWRRSA-N 2 2 362.478 0.088 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H](C)C2)[nH]1 ZINC001102580857 1220702377 /nfs/dbraw/zinc/70/23/77/1220702377.db2.gz ODXWJKUMCGKGHX-IIAWOOMASA-N 2 2 364.494 0.266 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H](C)C2)[nH]1 ZINC001102580857 1220702382 /nfs/dbraw/zinc/70/23/82/1220702382.db2.gz ODXWJKUMCGKGHX-IIAWOOMASA-N 2 2 364.494 0.266 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102580308 1220702890 /nfs/dbraw/zinc/70/28/90/1220702890.db2.gz PYWRFMYRQRQZBA-TZMCWYRMSA-N 2 2 358.450 0.397 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102580308 1220702898 /nfs/dbraw/zinc/70/28/98/1220702898.db2.gz PYWRFMYRQRQZBA-TZMCWYRMSA-N 2 2 358.450 0.397 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580941 1220703825 /nfs/dbraw/zinc/70/38/25/1220703825.db2.gz RVOJWTVDXMFCGC-IJEWVQPXSA-N 2 2 365.478 0.530 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580941 1220703830 /nfs/dbraw/zinc/70/38/30/1220703830.db2.gz RVOJWTVDXMFCGC-IJEWVQPXSA-N 2 2 365.478 0.530 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580529 1220703911 /nfs/dbraw/zinc/70/39/11/1220703911.db2.gz ASTONJXRZLGVGV-UKRRQHHQSA-N 2 2 360.466 0.472 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580529 1220703915 /nfs/dbraw/zinc/70/39/15/1220703915.db2.gz ASTONJXRZLGVGV-UKRRQHHQSA-N 2 2 360.466 0.472 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601824 1220722217 /nfs/dbraw/zinc/72/22/17/1220722217.db2.gz RIQMVLHYUYAJLZ-INMHGKMJSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001102601824 1220722223 /nfs/dbraw/zinc/72/22/23/1220722223.db2.gz RIQMVLHYUYAJLZ-INMHGKMJSA-N 2 2 363.510 0.515 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819402 1220792537 /nfs/dbraw/zinc/79/25/37/1220792537.db2.gz SLIMRQOUUBIBNJ-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819402 1220792541 /nfs/dbraw/zinc/79/25/41/1220792541.db2.gz SLIMRQOUUBIBNJ-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819402 1220792543 /nfs/dbraw/zinc/79/25/43/1220792543.db2.gz SLIMRQOUUBIBNJ-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819402 1220792546 /nfs/dbraw/zinc/79/25/46/1220792546.db2.gz SLIMRQOUUBIBNJ-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162983 1220842093 /nfs/dbraw/zinc/84/20/93/1220842093.db2.gz SKQDXYBJRISSJS-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162983 1220842094 /nfs/dbraw/zinc/84/20/94/1220842094.db2.gz SKQDXYBJRISSJS-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001103162747 1220842249 /nfs/dbraw/zinc/84/22/49/1220842249.db2.gz IQOISNOJRXONTO-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001103162747 1220842250 /nfs/dbraw/zinc/84/22/50/1220842250.db2.gz IQOISNOJRXONTO-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170734 1220843573 /nfs/dbraw/zinc/84/35/73/1220843573.db2.gz GMQNOGBVBGMFNN-ZIAGYGMSSA-N 2 2 365.478 0.560 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170734 1220843575 /nfs/dbraw/zinc/84/35/75/1220843575.db2.gz GMQNOGBVBGMFNN-ZIAGYGMSSA-N 2 2 365.478 0.560 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537174 1220897177 /nfs/dbraw/zinc/89/71/77/1220897177.db2.gz XGJXLQGIBDPYQQ-GDBMZVCRSA-N 2 2 365.478 0.675 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537174 1220897178 /nfs/dbraw/zinc/89/71/78/1220897178.db2.gz XGJXLQGIBDPYQQ-GDBMZVCRSA-N 2 2 365.478 0.675 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643851 1220926185 /nfs/dbraw/zinc/92/61/85/1220926185.db2.gz SWQMEHHGLMZACS-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643851 1220926188 /nfs/dbraw/zinc/92/61/88/1220926188.db2.gz SWQMEHHGLMZACS-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658549 1221055017 /nfs/dbraw/zinc/05/50/17/1221055017.db2.gz FPEPJBSERGMUPN-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658549 1221055018 /nfs/dbraw/zinc/05/50/18/1221055018.db2.gz FPEPJBSERGMUPN-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658549 1221055022 /nfs/dbraw/zinc/05/50/22/1221055022.db2.gz FPEPJBSERGMUPN-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658549 1221055027 /nfs/dbraw/zinc/05/50/27/1221055027.db2.gz FPEPJBSERGMUPN-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731550 1221079700 /nfs/dbraw/zinc/07/97/00/1221079700.db2.gz CACDMWLLNSUWJA-TYILLQQXSA-N 2 2 359.474 0.980 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731550 1221079704 /nfs/dbraw/zinc/07/97/04/1221079704.db2.gz CACDMWLLNSUWJA-TYILLQQXSA-N 2 2 359.474 0.980 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902614 1221159260 /nfs/dbraw/zinc/15/92/60/1221159260.db2.gz KOZAANALOMDCHI-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902614 1221159269 /nfs/dbraw/zinc/15/92/69/1221159269.db2.gz KOZAANALOMDCHI-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938322 1221180084 /nfs/dbraw/zinc/18/00/84/1221180084.db2.gz WFYCNAJAAZQEGT-KXBFYZLASA-N 2 2 361.490 0.800 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938322 1221180087 /nfs/dbraw/zinc/18/00/87/1221180087.db2.gz WFYCNAJAAZQEGT-KXBFYZLASA-N 2 2 361.490 0.800 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)nc1=O ZINC001111949090 1221182160 /nfs/dbraw/zinc/18/21/60/1221182160.db2.gz NJBBZEARVOMWLX-KSSFIOAISA-N 2 2 364.494 0.311 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCC[NH+](C)C)C2)nc1=O ZINC001111949090 1221182163 /nfs/dbraw/zinc/18/21/63/1221182163.db2.gz NJBBZEARVOMWLX-KSSFIOAISA-N 2 2 364.494 0.311 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984787 1221193817 /nfs/dbraw/zinc/19/38/17/1221193817.db2.gz OUWVMQSLELILQG-PXNSSMCTSA-N 2 2 362.518 0.921 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984787 1221193820 /nfs/dbraw/zinc/19/38/20/1221193820.db2.gz OUWVMQSLELILQG-PXNSSMCTSA-N 2 2 362.518 0.921 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229682748 1226027989 /nfs/dbraw/zinc/02/79/89/1226027989.db2.gz GVGILYZSCHETOJ-IAGOWNOFSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nnn(C)n3)CCCCC2)CC[N@@H+]1C ZINC001115544861 1221312818 /nfs/dbraw/zinc/31/28/18/1221312818.db2.gz FLMHXAMGJIOHIH-LSDHHAIUSA-N 2 2 363.510 0.849 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nnn(C)n3)CCCCC2)CC[N@H+]1C ZINC001115544861 1221312822 /nfs/dbraw/zinc/31/28/22/1221312822.db2.gz FLMHXAMGJIOHIH-LSDHHAIUSA-N 2 2 363.510 0.849 20 0 FCADLP O=C(NCC1([NH2+]CCO)CCCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001115641771 1221319130 /nfs/dbraw/zinc/31/91/30/1221319130.db2.gz HVOQNRCATIYCEN-SJORKVTESA-N 2 2 369.506 0.267 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001116781042 1221390045 /nfs/dbraw/zinc/39/00/45/1221390045.db2.gz PKHJVDVCRPCXDK-UHFFFAOYSA-N 2 2 370.457 0.988 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC001116830836 1221393674 /nfs/dbraw/zinc/39/36/74/1221393674.db2.gz XVJCKTJSXPQSDH-JKSUJKDBSA-N 2 2 361.490 0.879 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC001116830836 1221393679 /nfs/dbraw/zinc/39/36/79/1221393679.db2.gz XVJCKTJSXPQSDH-JKSUJKDBSA-N 2 2 361.490 0.879 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC001117060649 1221451104 /nfs/dbraw/zinc/45/11/04/1221451104.db2.gz DNFJNAGLAVJQBI-AWEZNQCLSA-N 2 2 358.446 0.957 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001117326095 1221519450 /nfs/dbraw/zinc/51/94/50/1221519450.db2.gz OOZULPBXTXDPGH-XHSDSOJGSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC001117326095 1221519456 /nfs/dbraw/zinc/51/94/56/1221519456.db2.gz OOZULPBXTXDPGH-XHSDSOJGSA-N 2 2 366.506 0.202 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001230152848 1226059076 /nfs/dbraw/zinc/05/90/76/1226059076.db2.gz ULUOLIKKWHNOER-NUEKZKHPSA-N 2 2 364.494 0.598 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119293722 1221897680 /nfs/dbraw/zinc/89/76/80/1221897680.db2.gz VXFAUXNYVMQGRY-RYQLBKOJSA-N 2 2 356.470 0.855 20 0 FCADLP C[C@@H](C(N)=O)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767546 1226086560 /nfs/dbraw/zinc/08/65/60/1226086560.db2.gz WZKRIIMLSLUCES-HLLBOEOZSA-N 2 2 361.490 0.604 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767546 1226086566 /nfs/dbraw/zinc/08/65/66/1226086566.db2.gz WZKRIIMLSLUCES-HLLBOEOZSA-N 2 2 361.490 0.604 20 0 FCADLP C[C@@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767546 1226086569 /nfs/dbraw/zinc/08/65/69/1226086569.db2.gz WZKRIIMLSLUCES-HLLBOEOZSA-N 2 2 361.490 0.604 20 0 FCADLP C[C@@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767546 1226086575 /nfs/dbraw/zinc/08/65/75/1226086575.db2.gz WZKRIIMLSLUCES-HLLBOEOZSA-N 2 2 361.490 0.604 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001120393921 1222076494 /nfs/dbraw/zinc/07/64/94/1222076494.db2.gz CWJFRUACTMAVMF-UHFFFAOYSA-N 2 2 370.457 0.912 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001120970123 1222135602 /nfs/dbraw/zinc/13/56/02/1222135602.db2.gz NFFRRGQFVOUMCR-QGZVFWFLSA-N 2 2 360.458 0.320 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001120970123 1222135604 /nfs/dbraw/zinc/13/56/04/1222135604.db2.gz NFFRRGQFVOUMCR-QGZVFWFLSA-N 2 2 360.458 0.320 20 0 FCADLP CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001121769226 1222209880 /nfs/dbraw/zinc/20/98/80/1222209880.db2.gz HAFZFJRPWKCMOL-UHFFFAOYSA-N 2 2 359.478 0.923 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC1CC1)C2 ZINC001121791563 1222212126 /nfs/dbraw/zinc/21/21/26/1222212126.db2.gz UGJYJSFVMHDMAP-KOWXXPJWSA-N 2 2 371.485 0.819 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CCOC)CC1 ZINC001122429175 1222273431 /nfs/dbraw/zinc/27/34/31/1222273431.db2.gz WFQYDNKKHICCCP-MRXNPFEDSA-N 2 2 366.510 0.850 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2CCOC)CC1 ZINC001122429175 1222273435 /nfs/dbraw/zinc/27/34/35/1222273435.db2.gz WFQYDNKKHICCCP-MRXNPFEDSA-N 2 2 366.510 0.850 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123632085 1222346089 /nfs/dbraw/zinc/34/60/89/1222346089.db2.gz YNWOTZWMBKSUBL-MHORFTMASA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123632085 1222346095 /nfs/dbraw/zinc/34/60/95/1222346095.db2.gz YNWOTZWMBKSUBL-MHORFTMASA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123696010 1222351498 /nfs/dbraw/zinc/35/14/98/1222351498.db2.gz YYZQKDCRTGEDDT-SOLBZPMBSA-N 2 2 360.506 0.936 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC001123696010 1222351503 /nfs/dbraw/zinc/35/15/03/1222351503.db2.gz YYZQKDCRTGEDDT-SOLBZPMBSA-N 2 2 360.506 0.936 20 0 FCADLP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001123886445 1222362888 /nfs/dbraw/zinc/36/28/88/1222362888.db2.gz PAVXDTZWKFCDNN-QGZVFWFLSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@]1(CO)C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761724 1222558361 /nfs/dbraw/zinc/55/83/61/1222558361.db2.gz LIKBEOPPRDGDMZ-WOJBJXKFSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@]1(CO)C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761724 1222558364 /nfs/dbraw/zinc/55/83/64/1222558364.db2.gz LIKBEOPPRDGDMZ-WOJBJXKFSA-N 2 2 364.486 0.963 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccncc2O)CC3)CC1 ZINC001140276196 1222581329 /nfs/dbraw/zinc/58/13/29/1222581329.db2.gz GKLCXEUETBAMNB-UHFFFAOYSA-N 2 2 354.458 0.930 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccncc2O)CC3)CC1 ZINC001140276196 1222581335 /nfs/dbraw/zinc/58/13/35/1222581335.db2.gz GKLCXEUETBAMNB-UHFFFAOYSA-N 2 2 354.458 0.930 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2cncc(O)c2)CC3)CC1 ZINC001232042495 1226139642 /nfs/dbraw/zinc/13/96/42/1226139642.db2.gz HIEYPEVDDMNMFW-UHFFFAOYSA-N 2 2 354.458 0.930 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2cncc(O)c2)CC3)CC1 ZINC001232042495 1226139648 /nfs/dbraw/zinc/13/96/48/1226139648.db2.gz HIEYPEVDDMNMFW-UHFFFAOYSA-N 2 2 354.458 0.930 20 0 FCADLP COC(=O)[C@H]1C[N@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCN1C(C)=O ZINC001140974948 1222626468 /nfs/dbraw/zinc/62/64/68/1222626468.db2.gz ABHSOWDWXVXVJF-LJQANCHMSA-N 2 2 374.485 0.644 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCN1C(C)=O ZINC001140974948 1222626469 /nfs/dbraw/zinc/62/64/69/1222626469.db2.gz ABHSOWDWXVXVJF-LJQANCHMSA-N 2 2 374.485 0.644 20 0 FCADLP C[NH+]1CCN(c2ccc(C[N@H+]3Cc4ccnn4CC[C@H]3CO)cn2)CC1 ZINC001232362810 1226148515 /nfs/dbraw/zinc/14/85/15/1226148515.db2.gz GACPPTBPSQTTAU-SFHVURJKSA-N 2 2 356.474 0.797 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841058792 1222806499 /nfs/dbraw/zinc/80/64/99/1222806499.db2.gz UYBBEUKGMZPYMU-UHFFFAOYSA-N 2 2 364.446 0.143 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccncc3)CC2)C1=O ZINC001142181153 1222815647 /nfs/dbraw/zinc/81/56/47/1222815647.db2.gz XDTJXWJVXDDFLY-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccncc3)CC2)C1=O ZINC001142181153 1222815651 /nfs/dbraw/zinc/81/56/51/1222815651.db2.gz XDTJXWJVXDDFLY-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP COC(=O)c1ccc(C2CN(C(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)C2)cc1 ZINC001161220740 1222816363 /nfs/dbraw/zinc/81/63/63/1222816363.db2.gz AKIBKRVEFSSGHG-QGZVFWFLSA-N 2 2 360.458 0.149 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C[NH3+] ZINC000842058790 1222834228 /nfs/dbraw/zinc/83/42/28/1222834228.db2.gz XWPPLYHEADVMMF-ZBFHGGJFSA-N 2 2 355.442 0.932 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000842058436 1222834288 /nfs/dbraw/zinc/83/42/88/1222834288.db2.gz TVJUXEFJMQGLOP-BBRMVZONSA-N 2 2 371.441 0.718 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cn1 ZINC000842164086 1222838371 /nfs/dbraw/zinc/83/83/71/1222838371.db2.gz UQMFMKKAERHPLN-OLZOCXBDSA-N 2 2 356.430 0.401 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000842207505 1222841694 /nfs/dbraw/zinc/84/16/94/1222841694.db2.gz DTJFDSJOWWKUCA-KRWDZBQOSA-N 2 2 367.453 0.594 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@]4(C)CC[NH2+]C4)n3)cn2)CC1 ZINC000843207131 1222860569 /nfs/dbraw/zinc/86/05/69/1222860569.db2.gz VPTVPOWTEKCRNH-GOSISDBHSA-N 2 2 356.430 0.770 20 0 FCADLP C[N@H+](CCNC(=O)CCN1CC[NH+](C)CC1)CCNC(=O)OC(C)(C)C ZINC001143237170 1222872589 /nfs/dbraw/zinc/87/25/89/1222872589.db2.gz HSCSHOOOMDVFJW-UHFFFAOYSA-N 2 2 371.526 0.197 20 0 FCADLP C[N@@H+](CCNC(=O)CCN1CC[NH+](C)CC1)CCNC(=O)OC(C)(C)C ZINC001143237170 1222872591 /nfs/dbraw/zinc/87/25/91/1222872591.db2.gz HSCSHOOOMDVFJW-UHFFFAOYSA-N 2 2 371.526 0.197 20 0 FCADLP CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+]CC2([NH3+])CCC2)C1=O ZINC000843367335 1222873961 /nfs/dbraw/zinc/87/39/61/1222873961.db2.gz FYHJZFXFZZMYDU-GOSISDBHSA-N 2 2 359.430 0.346 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1 ZINC001143306424 1222876963 /nfs/dbraw/zinc/87/69/63/1222876963.db2.gz BUUPXVUIKFNPBT-UHFFFAOYSA-N 2 2 370.457 0.562 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]cn1 ZINC001155389487 1223034579 /nfs/dbraw/zinc/03/45/79/1223034579.db2.gz HUQKJXRFCBAUND-GJZGRUSLSA-N 2 2 374.489 0.891 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc[nH+]1 ZINC001155389487 1223034584 /nfs/dbraw/zinc/03/45/84/1223034584.db2.gz HUQKJXRFCBAUND-GJZGRUSLSA-N 2 2 374.489 0.891 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000245891365 1223059930 /nfs/dbraw/zinc/05/99/30/1223059930.db2.gz JPPNEDUBXBMXNY-LSDHHAIUSA-N 2 2 371.489 0.990 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000245891365 1223059936 /nfs/dbraw/zinc/05/99/36/1223059936.db2.gz JPPNEDUBXBMXNY-LSDHHAIUSA-N 2 2 371.489 0.990 20 0 FCADLP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610198 1223079662 /nfs/dbraw/zinc/07/96/62/1223079662.db2.gz SQYVIDDVMZVFOP-UKTKYZJWSA-N 2 2 356.470 0.174 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001157999272 1223086383 /nfs/dbraw/zinc/08/63/83/1223086383.db2.gz PTJQPZUPONSCEF-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001158249489 1223091935 /nfs/dbraw/zinc/09/19/35/1223091935.db2.gz JDTSVAARCIRQIM-HUUCEWRRSA-N 2 2 357.462 0.579 20 0 FCADLP C[NH+]1CCC(N(c2cc[nH+]c(N3CCOCC3)n2)C2CC[NH2+]CC2)CC1 ZINC001158581406 1223103313 /nfs/dbraw/zinc/10/33/13/1223103313.db2.gz REFKPCQXBVHFQG-UHFFFAOYSA-N 3 2 360.506 0.966 20 0 FCADLP [NH3+]C1(C(=O)N2CCCn3nnc(COc4cccnc4)c3C2)CC[NH2+]CC1 ZINC001158736257 1223106736 /nfs/dbraw/zinc/10/67/36/1223106736.db2.gz GJCPZYUZQWBMMV-UHFFFAOYSA-N 2 2 371.445 0.065 20 0 FCADLP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)cn1 ZINC001158982734 1223114512 /nfs/dbraw/zinc/11/45/12/1223114512.db2.gz LDEPGCMRBDWOQN-CJNGLKHVSA-N 2 2 358.446 0.578 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159037038 1223116321 /nfs/dbraw/zinc/11/63/21/1223116321.db2.gz HRNPYFNEPGBJRS-KRWDZBQOSA-N 3 2 364.490 0.929 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159037038 1223116324 /nfs/dbraw/zinc/11/63/24/1223116324.db2.gz HRNPYFNEPGBJRS-KRWDZBQOSA-N 3 2 364.490 0.929 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001159076225 1223116883 /nfs/dbraw/zinc/11/68/83/1223116883.db2.gz HDAISQCXHKOGHT-VQIMIIECSA-N 2 2 367.490 0.631 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)C1 ZINC001159146269 1223119215 /nfs/dbraw/zinc/11/92/15/1223119215.db2.gz OBWFNLDVBVQCJS-BXWFABGCSA-N 2 2 357.458 0.254 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159147299 1223119301 /nfs/dbraw/zinc/11/93/01/1223119301.db2.gz WQMBWDNSOJTZAS-BXWFABGCSA-N 2 2 357.458 0.112 20 0 FCADLP O=C(N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159192191 1223120189 /nfs/dbraw/zinc/12/01/89/1223120189.db2.gz OKNKYXQEXRPCRD-SQGPQFPESA-N 3 2 373.501 0.467 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210535 1223120524 /nfs/dbraw/zinc/12/05/24/1223120524.db2.gz RNVNZEUCJLEVCB-WNRNVDISSA-N 2 2 371.441 0.128 20 0 FCADLP N[C@@]1(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)CCC[NH2+]C1 ZINC001159282467 1223122592 /nfs/dbraw/zinc/12/25/92/1223122592.db2.gz BGGJKOBKYXWBHX-BEFAXECRSA-N 2 2 370.457 0.396 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)C1 ZINC001159278687 1223122782 /nfs/dbraw/zinc/12/27/82/1223122782.db2.gz AYYFNKQKGWDDRH-IRXDYDNUSA-N 2 2 356.470 0.831 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159472578 1223127778 /nfs/dbraw/zinc/12/77/78/1223127778.db2.gz WHRCQDKOFZNPFL-ONCXSQPRSA-N 3 2 362.518 0.145 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159472578 1223127779 /nfs/dbraw/zinc/12/77/79/1223127779.db2.gz WHRCQDKOFZNPFL-ONCXSQPRSA-N 3 2 362.518 0.145 20 0 FCADLP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159548403 1223129360 /nfs/dbraw/zinc/12/93/60/1223129360.db2.gz ADBTZUIPKAZSKM-AUUYWEPGSA-N 3 2 358.490 0.209 20 0 FCADLP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001159608527 1223131351 /nfs/dbraw/zinc/13/13/51/1223131351.db2.gz ISZFMFAUGFCOKO-XQLFLQADSA-N 2 2 372.473 0.141 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)[C@@H]2C ZINC001159632817 1223131406 /nfs/dbraw/zinc/13/14/06/1223131406.db2.gz AIRXYZKAGDLINJ-YQFWSFKMSA-N 3 2 360.506 0.576 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)[C@@H]2C ZINC001159632817 1223131407 /nfs/dbraw/zinc/13/14/07/1223131407.db2.gz AIRXYZKAGDLINJ-YQFWSFKMSA-N 3 2 360.506 0.576 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634427 1223131849 /nfs/dbraw/zinc/13/18/49/1223131849.db2.gz YMVLJANSTVVIFE-HUUCEWRRSA-N 2 2 356.430 0.348 20 0 FCADLP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633596 1223131913 /nfs/dbraw/zinc/13/19/13/1223131913.db2.gz OLIZWKXTSYWVLA-CABCVRRESA-N 2 2 374.420 0.168 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634582 1223131936 /nfs/dbraw/zinc/13/19/36/1223131936.db2.gz ZNLANVAVCFMABJ-LBPRGKRZSA-N 2 2 366.372 0.203 20 0 FCADLP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159677534 1223133625 /nfs/dbraw/zinc/13/36/25/1223133625.db2.gz LJQUMLJFAUPCCG-MRXNPFEDSA-N 3 2 371.485 0.088 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159695748 1223134016 /nfs/dbraw/zinc/13/40/16/1223134016.db2.gz GCCOCBDRDYNRFE-BSWAZPDLSA-N 2 2 371.441 0.760 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159696692 1223134207 /nfs/dbraw/zinc/13/42/07/1223134207.db2.gz GAPWTDXPMLJIAI-XWTMOSNGSA-N 2 2 368.481 0.459 20 0 FCADLP CN1Cc2ccccc2CC2(CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)C1=O ZINC001159799534 1223136930 /nfs/dbraw/zinc/13/69/30/1223136930.db2.gz RPBROFWFCFTVFD-IRXDYDNUSA-N 2 2 356.470 0.499 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159800930 1223137135 /nfs/dbraw/zinc/13/71/35/1223137135.db2.gz ZFCKYEIFRMSRMP-ZBFHGGJFSA-N 2 2 368.445 0.042 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001159965291 1223141003 /nfs/dbraw/zinc/14/10/03/1223141003.db2.gz BFUCYROHYYVBMQ-LXZJYRNTSA-N 2 2 374.485 0.685 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159973304 1223141204 /nfs/dbraw/zinc/14/12/04/1223141204.db2.gz CPLJMXMWYBVTGH-HNNXBMFYSA-N 2 2 368.445 0.164 20 0 FCADLP [NH3+][C@H]1CC[C@@H]1C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159998572 1223142248 /nfs/dbraw/zinc/14/22/48/1223142248.db2.gz JPEHWIHZMFGLPU-IRXDYDNUSA-N 2 2 356.470 0.717 20 0 FCADLP [NH3+][C@H]1CC[C@@H]1C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159998572 1223142250 /nfs/dbraw/zinc/14/22/50/1223142250.db2.gz JPEHWIHZMFGLPU-IRXDYDNUSA-N 2 2 356.470 0.717 20 0 FCADLP [NH3+]C1(C(=O)N2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)CC[NH2+]CC1 ZINC001160077909 1223143787 /nfs/dbraw/zinc/14/37/87/1223143787.db2.gz XAISRGVMGNPBJN-SOUVJXGZSA-N 2 2 364.421 0.439 20 0 FCADLP [NH3+]C1(C(=O)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)CC[NH2+]CC1 ZINC001160083872 1223144457 /nfs/dbraw/zinc/14/44/57/1223144457.db2.gz DALGGSCPVSNKLD-QAPCUYQASA-N 2 2 357.458 0.017 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)CC[NH2+]CC1 ZINC001160111086 1223145988 /nfs/dbraw/zinc/14/59/88/1223145988.db2.gz RWHMQPKXPLDIRM-HNNXBMFYSA-N 2 2 357.458 0.127 20 0 FCADLP O=C(N1CCc2onc(COc3ccccn3)c2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160179970 1223148456 /nfs/dbraw/zinc/14/84/56/1223148456.db2.gz PVWHFQFFJVALJU-BFUOFWGJSA-N 2 2 369.425 0.485 20 0 FCADLP O=C(NCCC[NH2+]C[C@H](O)COCc1ccco1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336781 1223155769 /nfs/dbraw/zinc/15/57/69/1223155769.db2.gz MAJGTSHHXFRQQD-NUEKZKHPSA-N 2 2 362.430 0.780 20 0 FCADLP O=C(NCCC[NH2+]C[C@H](O)COCc1ccco1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336781 1223155772 /nfs/dbraw/zinc/15/57/72/1223155772.db2.gz MAJGTSHHXFRQQD-NUEKZKHPSA-N 2 2 362.430 0.780 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160380436 1223156838 /nfs/dbraw/zinc/15/68/38/1223156838.db2.gz FJBTUEHMQASAOD-HNNXBMFYSA-N 3 2 365.526 0.697 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160380436 1223156840 /nfs/dbraw/zinc/15/68/40/1223156840.db2.gz FJBTUEHMQASAOD-HNNXBMFYSA-N 3 2 365.526 0.697 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001160421614 1223158912 /nfs/dbraw/zinc/15/89/12/1223158912.db2.gz CEIKVMPNZMYLRZ-CSQLCUNESA-N 3 2 357.502 0.830 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001160421614 1223158915 /nfs/dbraw/zinc/15/89/15/1223158915.db2.gz CEIKVMPNZMYLRZ-CSQLCUNESA-N 3 2 357.502 0.830 20 0 FCADLP Cc1nonc1C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478998 1223161458 /nfs/dbraw/zinc/16/14/58/1223161458.db2.gz IJLMSHONOVVKIM-CXAGYDPISA-N 2 2 363.462 0.736 20 0 FCADLP Cc1nonc1C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478998 1223161460 /nfs/dbraw/zinc/16/14/60/1223161460.db2.gz IJLMSHONOVVKIM-CXAGYDPISA-N 2 2 363.462 0.736 20 0 FCADLP Cc1nonc1C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478998 1223161464 /nfs/dbraw/zinc/16/14/64/1223161464.db2.gz IJLMSHONOVVKIM-CXAGYDPISA-N 2 2 363.462 0.736 20 0 FCADLP Cc1nonc1C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478998 1223161465 /nfs/dbraw/zinc/16/14/65/1223161465.db2.gz IJLMSHONOVVKIM-CXAGYDPISA-N 2 2 363.462 0.736 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160538288 1223163900 /nfs/dbraw/zinc/16/39/00/1223163900.db2.gz HDPKEENFAGTJMG-INIZCTEOSA-N 2 2 356.430 0.666 20 0 FCADLP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160709649 1223169371 /nfs/dbraw/zinc/16/93/71/1223169371.db2.gz HRMITOHLYKRTHZ-GHTZIAJQSA-N 3 2 354.498 0.987 20 0 FCADLP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160709649 1223169373 /nfs/dbraw/zinc/16/93/73/1223169373.db2.gz HRMITOHLYKRTHZ-GHTZIAJQSA-N 3 2 354.498 0.987 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C[C@H]1C2 ZINC001160800241 1223173670 /nfs/dbraw/zinc/17/36/70/1223173670.db2.gz RJLSSABPKPZLDQ-SUFIHLRJSA-N 3 2 372.469 0.116 20 0 FCADLP CCOC(=O)[C@]12CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C[C@H]1C[NH2+]CC2 ZINC001160819466 1223175962 /nfs/dbraw/zinc/17/59/62/1223175962.db2.gz FFMGINYKVQXDHM-KZULUSFZSA-N 2 2 357.414 0.760 20 0 FCADLP CC(C)CCc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160858187 1223178453 /nfs/dbraw/zinc/17/84/53/1223178453.db2.gz ZRWTTXNFIWVZIP-HUUCEWRRSA-N 2 2 367.494 0.973 20 0 FCADLP CC(C)CCc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160858187 1223178455 /nfs/dbraw/zinc/17/84/55/1223178455.db2.gz ZRWTTXNFIWVZIP-HUUCEWRRSA-N 2 2 367.494 0.973 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904449 1223180437 /nfs/dbraw/zinc/18/04/37/1223180437.db2.gz GJYAZLGVERONRY-MSOLQXFVSA-N 3 2 358.486 0.327 20 0 FCADLP COc1ccc(CN(C)c2cc[nH+]c(NCCN3CC[NH2+]CC3=O)n2)cc1 ZINC001161025046 1223183712 /nfs/dbraw/zinc/18/37/12/1223183712.db2.gz NGAJYKBGSFRMEB-UHFFFAOYSA-N 2 2 370.457 0.965 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161138365 1223187119 /nfs/dbraw/zinc/18/71/19/1223187119.db2.gz SUYKEDFJJZNNLR-YJBOKZPZSA-N 2 2 359.426 0.439 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252680 1223192437 /nfs/dbraw/zinc/19/24/37/1223192437.db2.gz CIFVCFRDCQQSOB-FVQBIDKESA-N 2 2 359.474 0.797 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252680 1223192445 /nfs/dbraw/zinc/19/24/45/1223192445.db2.gz CIFVCFRDCQQSOB-FVQBIDKESA-N 2 2 359.474 0.797 20 0 FCADLP COc1cccc(OC2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC2)n1 ZINC001161313246 1223195133 /nfs/dbraw/zinc/19/51/33/1223195133.db2.gz HFNXASVCLHTPHO-HNNXBMFYSA-N 2 2 359.430 0.764 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)CC2)cc[nH+]1 ZINC001161306814 1223195280 /nfs/dbraw/zinc/19/52/80/1223195280.db2.gz ZVWIIPLRPFFLDO-MRXNPFEDSA-N 3 2 359.474 0.613 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001161321596 1223196016 /nfs/dbraw/zinc/19/60/16/1223196016.db2.gz LLWGSKRYKVDSQV-JKQORVJESA-N 2 2 367.490 0.805 20 0 FCADLP COc1ccc(O[C@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)C2)nc1 ZINC001161368170 1223196961 /nfs/dbraw/zinc/19/69/61/1223196961.db2.gz FTGNZRRVLYDKJC-HOTGVXAUSA-N 2 2 359.430 0.764 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376591 1223197388 /nfs/dbraw/zinc/19/73/88/1223197388.db2.gz BLWUBYGSDZDWCS-RDJZCZTQSA-N 3 2 356.474 0.457 20 0 FCADLP Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)co1 ZINC001162996781 1223223464 /nfs/dbraw/zinc/22/34/64/1223223464.db2.gz ZYTCOWRUERFVSB-SJORKVTESA-N 2 2 366.462 0.459 20 0 FCADLP COC(=O)C1CCN(c2cc(N[C@H]3COCCC34C[NH2+]C4)[nH+]cn2)CC1 ZINC001163067921 1223225512 /nfs/dbraw/zinc/22/55/12/1223225512.db2.gz DSEFWGYAWBCKRM-AWEZNQCLSA-N 2 2 361.446 0.656 20 0 FCADLP COC(=O)C1CCN(c2cc(N[C@H]3COCCC34C[NH2+]C4)nc[nH+]2)CC1 ZINC001163067921 1223225514 /nfs/dbraw/zinc/22/55/14/1223225514.db2.gz DSEFWGYAWBCKRM-AWEZNQCLSA-N 2 2 361.446 0.656 20 0 FCADLP Cc1[nH+]c2c(n1-c1ccc(C(=O)NC3CCOCC3)nn1)CC[NH2+]CC2 ZINC001165356823 1223245214 /nfs/dbraw/zinc/24/52/14/1223245214.db2.gz UXDOYPUDKLXJHJ-UHFFFAOYSA-N 2 2 356.430 0.568 20 0 FCADLP C[C@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001166960971 1223290554 /nfs/dbraw/zinc/29/05/54/1223290554.db2.gz LQWTXCSJCFWQFY-ARFHVFGLSA-N 2 2 361.490 0.878 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166960484 1223290628 /nfs/dbraw/zinc/29/06/28/1223290628.db2.gz GZRIKMRHMMJDOI-CHWSQXEVSA-N 2 2 357.418 0.048 20 0 FCADLP CCOCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519261 1223330239 /nfs/dbraw/zinc/33/02/39/1223330239.db2.gz COAORVVPTKPTPW-DLBZAZTESA-N 2 2 362.474 0.859 20 0 FCADLP Cn1ccc(C[N@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)n1 ZINC001206285148 1223352909 /nfs/dbraw/zinc/35/29/09/1223352909.db2.gz CVAIGYTVVCTUMJ-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1ccc(C[N@@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)n1 ZINC001206285148 1223352911 /nfs/dbraw/zinc/35/29/11/1223352911.db2.gz CVAIGYTVVCTUMJ-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001207015158 1223406078 /nfs/dbraw/zinc/40/60/78/1223406078.db2.gz URYCUIZFKWSGDO-KBRIMQKVSA-N 2 2 365.478 0.235 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001207015158 1223406084 /nfs/dbraw/zinc/40/60/84/1223406084.db2.gz URYCUIZFKWSGDO-KBRIMQKVSA-N 2 2 365.478 0.235 20 0 FCADLP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001207015158 1223406088 /nfs/dbraw/zinc/40/60/88/1223406088.db2.gz URYCUIZFKWSGDO-KBRIMQKVSA-N 2 2 365.478 0.235 20 0 FCADLP C[C@@H]1C[NH+](CCOCCO)C[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001207015158 1223406092 /nfs/dbraw/zinc/40/60/92/1223406092.db2.gz URYCUIZFKWSGDO-KBRIMQKVSA-N 2 2 365.478 0.235 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]2CCCO[C@@H]21 ZINC001207282838 1223433099 /nfs/dbraw/zinc/43/30/99/1223433099.db2.gz WEZYTFYURALVPF-ARFHVFGLSA-N 2 2 363.506 0.970 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]2CCCO[C@@H]21 ZINC001207282838 1223433102 /nfs/dbraw/zinc/43/31/02/1223433102.db2.gz WEZYTFYURALVPF-ARFHVFGLSA-N 2 2 363.506 0.970 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001691747776 1223435728 /nfs/dbraw/zinc/43/57/28/1223435728.db2.gz DVCUXMVAUFRGIJ-ILXRZTDVSA-N 2 2 362.540 0.091 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1C ZINC001208005308 1223505991 /nfs/dbraw/zinc/50/59/91/1223505991.db2.gz ZBOFRJOVUBQRPJ-CRAIPNDOSA-N 2 2 369.469 0.944 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1C ZINC001208005308 1223505995 /nfs/dbraw/zinc/50/59/95/1223505995.db2.gz ZBOFRJOVUBQRPJ-CRAIPNDOSA-N 2 2 369.469 0.944 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425589 1223543426 /nfs/dbraw/zinc/54/34/26/1223543426.db2.gz OYVDAFBUFBFUOK-OWCLPIDISA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425589 1223543430 /nfs/dbraw/zinc/54/34/30/1223543430.db2.gz OYVDAFBUFBFUOK-OWCLPIDISA-N 2 2 366.506 0.060 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428035 1223544074 /nfs/dbraw/zinc/54/40/74/1223544074.db2.gz LBMTUFLNMXYTCE-UKPHBRMFSA-N 2 2 361.490 0.717 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428035 1223544075 /nfs/dbraw/zinc/54/40/75/1223544075.db2.gz LBMTUFLNMXYTCE-UKPHBRMFSA-N 2 2 361.490 0.717 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428034 1223544286 /nfs/dbraw/zinc/54/42/86/1223544286.db2.gz LBMTUFLNMXYTCE-FRFSOERESA-N 2 2 361.490 0.717 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428034 1223544290 /nfs/dbraw/zinc/54/42/90/1223544290.db2.gz LBMTUFLNMXYTCE-FRFSOERESA-N 2 2 361.490 0.717 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706994 1223572163 /nfs/dbraw/zinc/57/21/63/1223572163.db2.gz GBGUJAAFMLEXMV-IXDOHACOSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208706994 1223572168 /nfs/dbraw/zinc/57/21/68/1223572168.db2.gz GBGUJAAFMLEXMV-IXDOHACOSA-N 2 2 363.506 0.858 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609314 1223593077 /nfs/dbraw/zinc/59/30/77/1223593077.db2.gz IZXOYRLCGSSIRY-BEFAXECRSA-N 2 2 367.490 0.931 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609314 1223593081 /nfs/dbraw/zinc/59/30/81/1223593081.db2.gz IZXOYRLCGSSIRY-BEFAXECRSA-N 2 2 367.490 0.931 20 0 FCADLP CCOC(=O)CCCCN1C[C@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276609973 1223594064 /nfs/dbraw/zinc/59/40/64/1223594064.db2.gz ODENWMVIQAPGBP-LJQANCHMSA-N 2 2 369.506 0.975 20 0 FCADLP CCOC(=O)CCCCN1C[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276609973 1223594067 /nfs/dbraw/zinc/59/40/67/1223594067.db2.gz ODENWMVIQAPGBP-LJQANCHMSA-N 2 2 369.506 0.975 20 0 FCADLP C[NH+]1CCN(C2C[NH+](CC[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 ZINC001209074780 1223596463 /nfs/dbraw/zinc/59/64/63/1223596463.db2.gz RDWBYUORFVAEMS-KRWDZBQOSA-N 2 2 368.522 0.944 20 0 FCADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(CC[NH+]1CCOCC1)CCC2 ZINC001209289428 1223607896 /nfs/dbraw/zinc/60/78/96/1223607896.db2.gz BXCRAIFKOWJZKU-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(CC[NH+]1CCOCC1)CCC2 ZINC001209289428 1223607899 /nfs/dbraw/zinc/60/78/99/1223607899.db2.gz BXCRAIFKOWJZKU-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CCN1CCOCC1)CCC2 ZINC001209289428 1223607903 /nfs/dbraw/zinc/60/79/03/1223607903.db2.gz BXCRAIFKOWJZKU-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CCN1CCOCC1)CCC2 ZINC001209289428 1223607904 /nfs/dbraw/zinc/60/79/04/1223607904.db2.gz BXCRAIFKOWJZKU-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CCN1CCOCC1)CCC2 ZINC001209289428 1223607906 /nfs/dbraw/zinc/60/79/06/1223607906.db2.gz BXCRAIFKOWJZKU-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CCN1CCOCC1)CCC2 ZINC001209289428 1223607909 /nfs/dbraw/zinc/60/79/09/1223607909.db2.gz BXCRAIFKOWJZKU-UHFFFAOYSA-N 2 2 363.506 0.621 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1=O ZINC001210297470 1223681839 /nfs/dbraw/zinc/68/18/39/1223681839.db2.gz GVKZJEUPASQOLN-UKRRQHHQSA-N 2 2 367.446 0.163 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1=O ZINC001210297470 1223681841 /nfs/dbraw/zinc/68/18/41/1223681841.db2.gz GVKZJEUPASQOLN-UKRRQHHQSA-N 2 2 367.446 0.163 20 0 FCADLP C[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321487 1223682409 /nfs/dbraw/zinc/68/24/09/1223682409.db2.gz BGUMROPKUOPBDW-UKRRQHHQSA-N 2 2 366.462 0.262 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210321487 1223682410 /nfs/dbraw/zinc/68/24/10/1223682410.db2.gz BGUMROPKUOPBDW-UKRRQHHQSA-N 2 2 366.462 0.262 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)n1 ZINC001210723330 1223704631 /nfs/dbraw/zinc/70/46/31/1223704631.db2.gz KJNVEEMXYQNJSC-CXAGYDPISA-N 2 2 359.478 0.698 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717681 1223704682 /nfs/dbraw/zinc/70/46/82/1223704682.db2.gz JTCCZBZVRFBOMX-DJIMGWMZSA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717681 1223704684 /nfs/dbraw/zinc/70/46/84/1223704684.db2.gz JTCCZBZVRFBOMX-DJIMGWMZSA-N 2 2 360.462 0.047 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367416 1223737617 /nfs/dbraw/zinc/73/76/17/1223737617.db2.gz UAMIRKCRIIKZFU-HUUCEWRRSA-N 2 2 369.510 0.389 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367416 1223737619 /nfs/dbraw/zinc/73/76/19/1223737619.db2.gz UAMIRKCRIIKZFU-HUUCEWRRSA-N 2 2 369.510 0.389 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367416 1223737620 /nfs/dbraw/zinc/73/76/20/1223737620.db2.gz UAMIRKCRIIKZFU-HUUCEWRRSA-N 2 2 369.510 0.389 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367416 1223737622 /nfs/dbraw/zinc/73/76/22/1223737622.db2.gz UAMIRKCRIIKZFU-HUUCEWRRSA-N 2 2 369.510 0.389 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001213175359 1223764493 /nfs/dbraw/zinc/76/44/93/1223764493.db2.gz NHYBOTFUINNKHT-YXJHDRRASA-N 2 2 364.490 0.738 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001213175359 1223764497 /nfs/dbraw/zinc/76/44/97/1223764497.db2.gz NHYBOTFUINNKHT-YXJHDRRASA-N 2 2 364.490 0.738 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213136 1223769345 /nfs/dbraw/zinc/76/93/45/1223769345.db2.gz GIDXDPARXAOSIL-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213136 1223769349 /nfs/dbraw/zinc/76/93/49/1223769349.db2.gz GIDXDPARXAOSIL-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327201 1223784918 /nfs/dbraw/zinc/78/49/18/1223784918.db2.gz BHXGQCMRYKLKIZ-MWDXBVQZSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327201 1223784919 /nfs/dbraw/zinc/78/49/19/1223784919.db2.gz BHXGQCMRYKLKIZ-MWDXBVQZSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327201 1223784920 /nfs/dbraw/zinc/78/49/20/1223784920.db2.gz BHXGQCMRYKLKIZ-MWDXBVQZSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327201 1223784922 /nfs/dbraw/zinc/78/49/22/1223784922.db2.gz BHXGQCMRYKLKIZ-MWDXBVQZSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213368469 1223791205 /nfs/dbraw/zinc/79/12/05/1223791205.db2.gz BGECKDOCGMQHOR-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1)C1CC1 ZINC001213368469 1223791209 /nfs/dbraw/zinc/79/12/09/1223791209.db2.gz BGECKDOCGMQHOR-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442852 1223799554 /nfs/dbraw/zinc/79/95/54/1223799554.db2.gz XEWVRZHWNNITTK-OWCLPIDISA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442852 1223799555 /nfs/dbraw/zinc/79/95/55/1223799555.db2.gz XEWVRZHWNNITTK-OWCLPIDISA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442852 1223799556 /nfs/dbraw/zinc/79/95/56/1223799556.db2.gz XEWVRZHWNNITTK-OWCLPIDISA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442852 1223799559 /nfs/dbraw/zinc/79/95/59/1223799559.db2.gz XEWVRZHWNNITTK-OWCLPIDISA-N 2 2 368.522 0.578 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446288 1223800113 /nfs/dbraw/zinc/80/01/13/1223800113.db2.gz HBGBZQQILOURPS-HUUCEWRRSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446288 1223800115 /nfs/dbraw/zinc/80/01/15/1223800115.db2.gz HBGBZQQILOURPS-HUUCEWRRSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446288 1223800116 /nfs/dbraw/zinc/80/01/16/1223800116.db2.gz HBGBZQQILOURPS-HUUCEWRRSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446288 1223800117 /nfs/dbraw/zinc/80/01/17/1223800117.db2.gz HBGBZQQILOURPS-HUUCEWRRSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213577994 1223816886 /nfs/dbraw/zinc/81/68/86/1223816886.db2.gz BDMRXDJNTDEGAK-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213577994 1223816888 /nfs/dbraw/zinc/81/68/88/1223816888.db2.gz BDMRXDJNTDEGAK-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC)C(C)C ZINC001213592726 1223819334 /nfs/dbraw/zinc/81/93/34/1223819334.db2.gz DAUVCVQTWNUUAB-NUJGCVRESA-N 2 2 368.522 0.447 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC)C(C)C ZINC001213592726 1223819337 /nfs/dbraw/zinc/81/93/37/1223819337.db2.gz DAUVCVQTWNUUAB-NUJGCVRESA-N 2 2 368.522 0.447 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213598792 1223820578 /nfs/dbraw/zinc/82/05/78/1223820578.db2.gz NJVFIKKQFQPWCH-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213598792 1223820579 /nfs/dbraw/zinc/82/05/79/1223820579.db2.gz NJVFIKKQFQPWCH-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213725841 1223839716 /nfs/dbraw/zinc/83/97/16/1223839716.db2.gz KNAPKZFBWHCAAR-HUUCEWRRSA-N 2 2 366.506 0.202 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213725841 1223839719 /nfs/dbraw/zinc/83/97/19/1223839719.db2.gz KNAPKZFBWHCAAR-HUUCEWRRSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728558 1223839964 /nfs/dbraw/zinc/83/99/64/1223839964.db2.gz MWFOHOJULPRSSF-BZUAXINKSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728558 1223839966 /nfs/dbraw/zinc/83/99/66/1223839966.db2.gz MWFOHOJULPRSSF-BZUAXINKSA-N 2 2 366.506 0.058 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759769 1223845464 /nfs/dbraw/zinc/84/54/64/1223845464.db2.gz ZSVVTDJMGOMOJN-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759769 1223845465 /nfs/dbraw/zinc/84/54/65/1223845465.db2.gz ZSVVTDJMGOMOJN-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759769 1223845469 /nfs/dbraw/zinc/84/54/69/1223845469.db2.gz ZSVVTDJMGOMOJN-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765134 1223846983 /nfs/dbraw/zinc/84/69/83/1223846983.db2.gz VSKZSCVDNLSTRR-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765134 1223846985 /nfs/dbraw/zinc/84/69/85/1223846985.db2.gz VSKZSCVDNLSTRR-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765134 1223846986 /nfs/dbraw/zinc/84/69/86/1223846986.db2.gz VSKZSCVDNLSTRR-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765134 1223846988 /nfs/dbraw/zinc/84/69/88/1223846988.db2.gz VSKZSCVDNLSTRR-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213802643 1223852968 /nfs/dbraw/zinc/85/29/68/1223852968.db2.gz ZWDFYUYXGPJFBC-FGTMMUONSA-N 2 2 364.490 0.983 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213802643 1223852970 /nfs/dbraw/zinc/85/29/70/1223852970.db2.gz ZWDFYUYXGPJFBC-FGTMMUONSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213857020 1223861980 /nfs/dbraw/zinc/86/19/80/1223861980.db2.gz FBCADCDYHADNMP-GVDBMIGSSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213857020 1223861983 /nfs/dbraw/zinc/86/19/83/1223861983.db2.gz FBCADCDYHADNMP-GVDBMIGSSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213857020 1223861984 /nfs/dbraw/zinc/86/19/84/1223861984.db2.gz FBCADCDYHADNMP-GVDBMIGSSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213857020 1223861986 /nfs/dbraw/zinc/86/19/86/1223861986.db2.gz FBCADCDYHADNMP-GVDBMIGSSA-N 2 2 368.522 0.399 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859585 1223862463 /nfs/dbraw/zinc/86/24/63/1223862463.db2.gz GKQKJYRXDQHZSG-FVQBIDKESA-N 2 2 365.478 0.264 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859585 1223862465 /nfs/dbraw/zinc/86/24/65/1223862465.db2.gz GKQKJYRXDQHZSG-FVQBIDKESA-N 2 2 365.478 0.264 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860038 1223862797 /nfs/dbraw/zinc/86/27/97/1223862797.db2.gz QXEAPBKWEOKLTM-KZNAEPCWSA-N 2 2 369.506 0.483 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860038 1223862799 /nfs/dbraw/zinc/86/27/99/1223862799.db2.gz QXEAPBKWEOKLTM-KZNAEPCWSA-N 2 2 369.506 0.483 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914537 1223871513 /nfs/dbraw/zinc/87/15/13/1223871513.db2.gz KLWLGIFPMGCLLG-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914537 1223871516 /nfs/dbraw/zinc/87/15/16/1223871516.db2.gz KLWLGIFPMGCLLG-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916972 1223871715 /nfs/dbraw/zinc/87/17/15/1223871715.db2.gz UGKVZRISYQZSKT-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916972 1223871718 /nfs/dbraw/zinc/87/17/18/1223871718.db2.gz UGKVZRISYQZSKT-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916867 1223871866 /nfs/dbraw/zinc/87/18/66/1223871866.db2.gz OMGFGEIZNWDDFK-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916867 1223871867 /nfs/dbraw/zinc/87/18/67/1223871867.db2.gz OMGFGEIZNWDDFK-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921938 1223872812 /nfs/dbraw/zinc/87/28/12/1223872812.db2.gz ODXVRCDIVDPWQI-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921938 1223872814 /nfs/dbraw/zinc/87/28/14/1223872814.db2.gz ODXVRCDIVDPWQI-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974304 1223879849 /nfs/dbraw/zinc/87/98/49/1223879849.db2.gz SEDKBQFFIGWYKU-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974304 1223879851 /nfs/dbraw/zinc/87/98/51/1223879851.db2.gz SEDKBQFFIGWYKU-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974106 1223880096 /nfs/dbraw/zinc/88/00/96/1223880096.db2.gz IRSGUIFWBXBWAI-IAGOWNOFSA-N 2 2 366.506 0.347 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974106 1223880097 /nfs/dbraw/zinc/88/00/97/1223880097.db2.gz IRSGUIFWBXBWAI-IAGOWNOFSA-N 2 2 366.506 0.347 20 0 FCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531192 1223918526 /nfs/dbraw/zinc/91/85/26/1223918526.db2.gz RIPBQYQCKLTVDW-CHWSQXEVSA-N 2 2 364.450 0.015 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+]CC(=O)NC4CC4)C3)ccn12 ZINC001214632663 1223927905 /nfs/dbraw/zinc/92/79/05/1223927905.db2.gz QHEZJVCISNYTHA-MLGOLLRUSA-N 2 2 355.442 0.971 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214987988 1223961634 /nfs/dbraw/zinc/96/16/34/1223961634.db2.gz DTZXVETXWJELHZ-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215005923 1223963753 /nfs/dbraw/zinc/96/37/53/1223963753.db2.gz LFNVBMYAPYVETG-RBSFLKMASA-N 2 2 361.490 0.797 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200130 1223981920 /nfs/dbraw/zinc/98/19/20/1223981920.db2.gz QNJKFPSKNRCCGF-HUUCEWRRSA-N 2 2 364.494 0.497 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001215225967 1223983523 /nfs/dbraw/zinc/98/35/23/1223983523.db2.gz ANUDWLLBZQCIDK-KZNAEPCWSA-N 2 2 371.522 0.587 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001215225967 1223983525 /nfs/dbraw/zinc/98/35/25/1223983525.db2.gz ANUDWLLBZQCIDK-KZNAEPCWSA-N 2 2 371.522 0.587 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001215226826 1223983696 /nfs/dbraw/zinc/98/36/96/1223983696.db2.gz UFLKBEHIEUQHDS-OIISXLGYSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001215228652 1223984209 /nfs/dbraw/zinc/98/42/09/1223984209.db2.gz ZIEACNASOYNIJL-GDBMZVCRSA-N 2 2 363.510 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001215228652 1223984212 /nfs/dbraw/zinc/98/42/12/1223984212.db2.gz ZIEACNASOYNIJL-GDBMZVCRSA-N 2 2 363.510 0.801 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)no1 ZINC001215269219 1223986651 /nfs/dbraw/zinc/98/66/51/1223986651.db2.gz QXEIBICVJBJUDE-TZMCWYRMSA-N 2 2 360.418 0.645 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215512156 1224003032 /nfs/dbraw/zinc/00/30/32/1224003032.db2.gz ZNJMZFDFNOBGBC-IVMMDQJWSA-N 2 2 359.474 0.887 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001215586009 1224007422 /nfs/dbraw/zinc/00/74/22/1224007422.db2.gz RHYSYKOKNVURNT-MWQQHZPXSA-N 2 2 373.501 0.876 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001215585744 1224007596 /nfs/dbraw/zinc/00/75/96/1224007596.db2.gz MNGPHLXOKJHRNA-KLHDSHLOSA-N 2 2 361.490 0.732 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001215686035 1224012614 /nfs/dbraw/zinc/01/26/14/1224012614.db2.gz YKAODMGUNYFPCJ-FRFSOERESA-N 2 2 362.430 0.559 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685749 1224012662 /nfs/dbraw/zinc/01/26/62/1224012662.db2.gz VHDZTMGQAWJOCW-IIAWOOMASA-N 2 2 365.478 0.320 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001215681430 1224012785 /nfs/dbraw/zinc/01/27/85/1224012785.db2.gz ZBZLDEQFTFMCCG-MLGOLLRUSA-N 2 2 359.474 0.694 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705409 1224013445 /nfs/dbraw/zinc/01/34/45/1224013445.db2.gz KPSHNOBXIFHTCK-OWCLPIDISA-N 2 2 365.478 0.423 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065207 1224032288 /nfs/dbraw/zinc/03/22/88/1224032288.db2.gz MSVUZFUKINZSAN-FRRDWIJNSA-N 2 2 364.450 0.011 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC001216064958 1224032517 /nfs/dbraw/zinc/03/25/17/1224032517.db2.gz JVTUJCKWYAYKSZ-BFYDXBDKSA-N 2 2 358.442 0.829 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216393098 1224048416 /nfs/dbraw/zinc/04/84/16/1224048416.db2.gz WQKWPEUFANJWOV-CKEIUWERSA-N 2 2 361.490 0.846 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719291 1226172018 /nfs/dbraw/zinc/17/20/18/1226172018.db2.gz LXOMYFPUXPXDFT-QAPCUYQASA-N 2 2 364.446 0.122 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719291 1226172023 /nfs/dbraw/zinc/17/20/23/1226172023.db2.gz LXOMYFPUXPXDFT-QAPCUYQASA-N 2 2 364.446 0.122 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978510624 1248766747 /nfs/dbraw/zinc/76/67/47/1248766747.db2.gz QYASAFOWXRVBSW-QQXKLLMISA-N 2 2 365.518 0.816 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978510624 1248766753 /nfs/dbraw/zinc/76/67/53/1248766753.db2.gz QYASAFOWXRVBSW-QQXKLLMISA-N 2 2 365.518 0.816 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985219329 1248809655 /nfs/dbraw/zinc/80/96/55/1248809655.db2.gz QLJPZHYRAQGDDN-GOEBONIOSA-N 2 2 359.474 0.852 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000986773296 1248994110 /nfs/dbraw/zinc/99/41/10/1248994110.db2.gz ZGMSNFZWJDOVBI-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000987506679 1249061543 /nfs/dbraw/zinc/06/15/43/1249061543.db2.gz CVJYLRJNFOUSJI-XOKHGSTOSA-N 2 2 371.441 0.384 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000987506679 1249061555 /nfs/dbraw/zinc/06/15/55/1249061555.db2.gz CVJYLRJNFOUSJI-XOKHGSTOSA-N 2 2 371.441 0.384 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993324586 1249471138 /nfs/dbraw/zinc/47/11/38/1249471138.db2.gz WOAFZOUSJMIYFV-ZFCANOHDSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993324586 1249471147 /nfs/dbraw/zinc/47/11/47/1249471147.db2.gz WOAFZOUSJMIYFV-ZFCANOHDSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993436093 1249536030 /nfs/dbraw/zinc/53/60/30/1249536030.db2.gz FELXYESDQHWOPR-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993436093 1249536038 /nfs/dbraw/zinc/53/60/38/1249536038.db2.gz FELXYESDQHWOPR-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000993589868 1249747188 /nfs/dbraw/zinc/74/71/88/1249747188.db2.gz VVRPYGXZAXYMFW-KLHDSHLOSA-N 2 2 361.490 0.971 20 0 FCADLP CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000993589868 1249747199 /nfs/dbraw/zinc/74/71/99/1249747199.db2.gz VVRPYGXZAXYMFW-KLHDSHLOSA-N 2 2 361.490 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1ccco1 ZINC000993592687 1249755124 /nfs/dbraw/zinc/75/51/24/1249755124.db2.gz RKYRVGBSHOWQSQ-RBSFLKMASA-N 2 2 371.441 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1ccco1 ZINC000993592687 1249755133 /nfs/dbraw/zinc/75/51/33/1249755133.db2.gz RKYRVGBSHOWQSQ-RBSFLKMASA-N 2 2 371.441 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993603725 1249784025 /nfs/dbraw/zinc/78/40/25/1249784025.db2.gz VCTNTDXTRAUCQR-BEKDMHARSA-N 2 2 371.485 0.891 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993603725 1249784034 /nfs/dbraw/zinc/78/40/34/1249784034.db2.gz VCTNTDXTRAUCQR-BEKDMHARSA-N 2 2 371.485 0.891 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)C1CC1 ZINC000993608302 1249799935 /nfs/dbraw/zinc/79/99/35/1249799935.db2.gz XKTDBSADTQKAKD-GVDBMIGSSA-N 2 2 371.485 0.583 20 0 FCADLP CCC(=O)N[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1c[nH+]cn1C ZINC000993608834 1249804544 /nfs/dbraw/zinc/80/45/44/1249804544.db2.gz YGKWKTMQLOOOIP-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)C(F)F ZINC000993613656 1249818190 /nfs/dbraw/zinc/81/81/90/1249818190.db2.gz ZSVWYXMDNATYBK-BZPMIXESSA-N 2 2 369.416 0.436 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993613473 1249821402 /nfs/dbraw/zinc/82/14/02/1249821402.db2.gz NJDJPIULPKFBLS-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993613473 1249821409 /nfs/dbraw/zinc/82/14/09/1249821409.db2.gz NJDJPIULPKFBLS-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1)[NH+](C)C ZINC000993620809 1249843420 /nfs/dbraw/zinc/84/34/20/1249843420.db2.gz SNAJCFBNBAUQFD-YRGRVCCFSA-N 2 2 371.432 0.682 20 0 FCADLP 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2 371.485 0.789 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001003652375 1253034407 /nfs/dbraw/zinc/03/44/07/1253034407.db2.gz LYGJNBFCOHGZKG-DAXOMENPSA-N 2 2 359.474 0.771 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001003862096 1253126886 /nfs/dbraw/zinc/12/68/86/1253126886.db2.gz HNEKVTQOXPPTMI-MXASKKJJSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001003862096 1253126891 /nfs/dbraw/zinc/12/68/91/1253126891.db2.gz HNEKVTQOXPPTMI-MXASKKJJSA-N 2 2 359.474 0.695 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001519202773 1265708104 /nfs/dbraw/zinc/70/81/04/1265708104.db2.gz ZQYYYUGOBUFAOS-HNNXBMFYSA-N 2 2 352.483 0.076 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004283943 1253273071 /nfs/dbraw/zinc/27/30/71/1253273071.db2.gz FAYQJWZAIWCQOS-OIISXLGYSA-N 2 2 371.485 0.839 20 0 FCADLP 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CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642398 1265741822 /nfs/dbraw/zinc/74/18/22/1265741822.db2.gz SALVIBRUNDQXHN-MRXNPFEDSA-N 2 2 354.495 0.809 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642398 1265741827 /nfs/dbraw/zinc/74/18/27/1265741827.db2.gz SALVIBRUNDQXHN-MRXNPFEDSA-N 2 2 354.495 0.809 20 0 FCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001519642398 1265741834 /nfs/dbraw/zinc/74/18/34/1265741834.db2.gz SALVIBRUNDQXHN-MRXNPFEDSA-N 2 2 354.495 0.809 20 0 FCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001519642398 1265741837 /nfs/dbraw/zinc/74/18/37/1265741837.db2.gz SALVIBRUNDQXHN-MRXNPFEDSA-N 2 2 354.495 0.809 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC[NH+](CCCO)CC1 ZINC001005754799 1253624327 /nfs/dbraw/zinc/62/43/27/1253624327.db2.gz BDEVQTVTKBWASO-MSOLQXFVSA-N 2 2 369.506 0.171 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)CC(=O)N3CCCC3)C2)O1 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/nfs/dbraw/zinc/27/70/44/1254277044.db2.gz LSBDISGUGGWVRC-RBSFLKMASA-N 2 2 359.474 0.773 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC2)O1 ZINC001063556989 1254356936 /nfs/dbraw/zinc/35/69/36/1254356936.db2.gz IKWMQTVMYRGXOT-BZUAXINKSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC2)O1 ZINC001063556989 1254356944 /nfs/dbraw/zinc/35/69/44/1254356944.db2.gz IKWMQTVMYRGXOT-BZUAXINKSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC2)O1 ZINC001063556989 1254356958 /nfs/dbraw/zinc/35/69/58/1254356958.db2.gz IKWMQTVMYRGXOT-BZUAXINKSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC2)O1 ZINC001063556989 1254356967 /nfs/dbraw/zinc/35/69/67/1254356967.db2.gz IKWMQTVMYRGXOT-BZUAXINKSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001329824340 1265861468 /nfs/dbraw/zinc/86/14/68/1265861468.db2.gz VXGKUDAYNQSZEH-GFCCVEGCSA-N 2 2 359.434 0.539 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]3C2)CC[N@@H+]1C ZINC001066076894 1254592337 /nfs/dbraw/zinc/59/23/37/1254592337.db2.gz XSIBDHJUJGDNLP-APIJFGDWSA-N 2 2 369.473 0.598 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]3C2)CC[N@H+]1C ZINC001066076894 1254592342 /nfs/dbraw/zinc/59/23/42/1254592342.db2.gz XSIBDHJUJGDNLP-APIJFGDWSA-N 2 2 369.473 0.598 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001075962673 1254658323 /nfs/dbraw/zinc/65/83/23/1254658323.db2.gz PUMISMVSGVNOQO-XYJFISCASA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075962673 1254658331 /nfs/dbraw/zinc/65/83/31/1254658331.db2.gz PUMISMVSGVNOQO-XYJFISCASA-N 2 2 354.458 0.875 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cncc(C)c3)C[C@H]1O)CC2 ZINC001077583949 1254735392 /nfs/dbraw/zinc/73/53/92/1254735392.db2.gz VLGQBHVWDYHKNJ-BHIYHBOVSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cncc(C)c3)C[C@H]1O)CC2 ZINC001077583949 1254735405 /nfs/dbraw/zinc/73/54/05/1254735405.db2.gz VLGQBHVWDYHKNJ-BHIYHBOVSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077619047 1254786003 /nfs/dbraw/zinc/78/60/03/1254786003.db2.gz YTMNNCNSVLGBDT-QZTJIDSGSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077619047 1254786025 /nfs/dbraw/zinc/78/60/25/1254786025.db2.gz YTMNNCNSVLGBDT-QZTJIDSGSA-N 2 2 363.506 0.776 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077675522 1254855429 /nfs/dbraw/zinc/85/54/29/1254855429.db2.gz PUBNVRCNCXQMEA-USXIJHARSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077675522 1254855440 /nfs/dbraw/zinc/85/54/40/1254855440.db2.gz PUBNVRCNCXQMEA-USXIJHARSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077675522 1254855450 /nfs/dbraw/zinc/85/54/50/1254855450.db2.gz PUBNVRCNCXQMEA-USXIJHARSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077675522 1254855458 /nfs/dbraw/zinc/85/54/58/1254855458.db2.gz PUBNVRCNCXQMEA-USXIJHARSA-N 2 2 365.449 0.850 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077777266 1254978023 /nfs/dbraw/zinc/97/80/23/1254978023.db2.gz DWDHTYTTXJOVNV-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077777266 1254978033 /nfs/dbraw/zinc/97/80/33/1254978033.db2.gz DWDHTYTTXJOVNV-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077777266 1254978038 /nfs/dbraw/zinc/97/80/38/1254978038.db2.gz DWDHTYTTXJOVNV-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077777266 1254978042 /nfs/dbraw/zinc/97/80/42/1254978042.db2.gz DWDHTYTTXJOVNV-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1F ZINC001078005579 1255161899 /nfs/dbraw/zinc/16/18/99/1255161899.db2.gz FYAVSDISZJPLKX-DJIMGWMZSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1F ZINC001078005579 1255161902 /nfs/dbraw/zinc/16/19/02/1255161902.db2.gz FYAVSDISZJPLKX-DJIMGWMZSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001078005579 1255161905 /nfs/dbraw/zinc/16/19/05/1255161905.db2.gz FYAVSDISZJPLKX-DJIMGWMZSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001078005579 1255161908 /nfs/dbraw/zinc/16/19/08/1255161908.db2.gz FYAVSDISZJPLKX-DJIMGWMZSA-N 2 2 365.449 0.837 20 0 FCADLP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078007742 1255163458 /nfs/dbraw/zinc/16/34/58/1255163458.db2.gz YXTZQIJATYVMNW-QZTJIDSGSA-N 2 2 358.442 0.511 20 0 FCADLP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078007742 1255163463 /nfs/dbraw/zinc/16/34/63/1255163463.db2.gz YXTZQIJATYVMNW-QZTJIDSGSA-N 2 2 358.442 0.511 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1C ZINC001078007741 1255163919 /nfs/dbraw/zinc/16/39/19/1255163919.db2.gz YXMOBPWLYVQLNH-IAGOWNOFSA-N 2 2 358.442 0.641 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1C ZINC001078007741 1255163923 /nfs/dbraw/zinc/16/39/23/1255163923.db2.gz YXMOBPWLYVQLNH-IAGOWNOFSA-N 2 2 358.442 0.641 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001078007398 1255164293 /nfs/dbraw/zinc/16/42/93/1255164293.db2.gz QQGGOJUWJOLUJM-RTBURBONSA-N 2 2 354.454 0.813 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1O ZINC001078007398 1255164297 /nfs/dbraw/zinc/16/42/97/1255164297.db2.gz QQGGOJUWJOLUJM-RTBURBONSA-N 2 2 354.454 0.813 20 0 FCADLP COc1cccc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078007134 1255164392 /nfs/dbraw/zinc/16/43/92/1255164392.db2.gz KPFTZSRXBHTYGK-MORSLUCNSA-N 2 2 358.442 0.894 20 0 FCADLP COc1cccc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078007134 1255164395 /nfs/dbraw/zinc/16/43/95/1255164395.db2.gz KPFTZSRXBHTYGK-MORSLUCNSA-N 2 2 358.442 0.894 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017985 1255173577 /nfs/dbraw/zinc/17/35/77/1255173577.db2.gz IHXVIOBCVFQCBX-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017985 1255173579 /nfs/dbraw/zinc/17/35/79/1255173579.db2.gz IHXVIOBCVFQCBX-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001078079709 1255211774 /nfs/dbraw/zinc/21/17/74/1255211774.db2.gz GCFNGAWNQHXSGB-QZTJIDSGSA-N 2 2 357.458 0.688 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1O ZINC001078079709 1255211781 /nfs/dbraw/zinc/21/17/81/1255211781.db2.gz GCFNGAWNQHXSGB-QZTJIDSGSA-N 2 2 357.458 0.688 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)c1ccccc1 ZINC001078183547 1255298574 /nfs/dbraw/zinc/29/85/74/1255298574.db2.gz WXGZCMAFRRYIFM-KURKYZTESA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)c1ccccc1 ZINC001078183547 1255298581 /nfs/dbraw/zinc/29/85/81/1255298581.db2.gz WXGZCMAFRRYIFM-KURKYZTESA-N 2 2 358.442 0.741 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)co1 ZINC001078418791 1255410021 /nfs/dbraw/zinc/41/00/21/1255410021.db2.gz WZKIBAFDGKKAMJ-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)co1 ZINC001078418791 1255410024 /nfs/dbraw/zinc/41/00/24/1255410024.db2.gz WZKIBAFDGKKAMJ-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001079200883 1255470576 /nfs/dbraw/zinc/47/05/76/1255470576.db2.gz KHCVMTJKLZOBGE-GVDBMIGSSA-N 2 2 371.416 0.564 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001079207940 1255472149 /nfs/dbraw/zinc/47/21/49/1255472149.db2.gz ABGLBHYYTOXHCB-GOEBONIOSA-N 2 2 359.405 0.469 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079204943 1255472565 /nfs/dbraw/zinc/47/25/65/1255472565.db2.gz UTWBSYYCEWIUBL-BYCMXARLSA-N 2 2 359.405 0.549 20 0 FCADLP COCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270455 1255496727 /nfs/dbraw/zinc/49/67/27/1255496727.db2.gz SIQGHCRZOWIHPD-DLBZAZTESA-N 2 2 362.474 0.548 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526899 1255535922 /nfs/dbraw/zinc/53/59/22/1255535922.db2.gz WIMGTRAUNYBRMC-JLZZUVOBSA-N 2 2 359.430 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526899 1255535925 /nfs/dbraw/zinc/53/59/25/1255535925.db2.gz WIMGTRAUNYBRMC-JLZZUVOBSA-N 2 2 359.430 0.490 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526899 1255535928 /nfs/dbraw/zinc/53/59/28/1255535928.db2.gz WIMGTRAUNYBRMC-JLZZUVOBSA-N 2 2 359.430 0.490 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526899 1255535931 /nfs/dbraw/zinc/53/59/31/1255535931.db2.gz WIMGTRAUNYBRMC-JLZZUVOBSA-N 2 2 359.430 0.490 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]3C)ccn12 ZINC001079697139 1255578959 /nfs/dbraw/zinc/57/89/59/1255578959.db2.gz VUBWFOFIWRVWBF-DAXOMENPSA-N 2 2 355.442 0.971 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]3C)ccn12 ZINC001079697139 1255578963 /nfs/dbraw/zinc/57/89/63/1255578963.db2.gz VUBWFOFIWRVWBF-DAXOMENPSA-N 2 2 355.442 0.971 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079739659 1255589491 /nfs/dbraw/zinc/58/94/91/1255589491.db2.gz BBRNSKKZFSKCLO-GDBMZVCRSA-N 2 2 359.474 0.431 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079739659 1255589497 /nfs/dbraw/zinc/58/94/97/1255589497.db2.gz BBRNSKKZFSKCLO-GDBMZVCRSA-N 2 2 359.474 0.431 20 0 FCADLP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079853938 1255633525 /nfs/dbraw/zinc/63/35/25/1255633525.db2.gz OPGCKQNDKSSHFW-CKEIUWERSA-N 2 2 361.490 0.988 20 0 FCADLP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079853938 1255633530 /nfs/dbraw/zinc/63/35/30/1255633530.db2.gz OPGCKQNDKSSHFW-CKEIUWERSA-N 2 2 361.490 0.988 20 0 FCADLP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079853938 1255633536 /nfs/dbraw/zinc/63/35/36/1255633536.db2.gz OPGCKQNDKSSHFW-CKEIUWERSA-N 2 2 361.490 0.988 20 0 FCADLP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079853938 1255633544 /nfs/dbraw/zinc/63/35/44/1255633544.db2.gz OPGCKQNDKSSHFW-CKEIUWERSA-N 2 2 361.490 0.988 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079990890 1255695673 /nfs/dbraw/zinc/69/56/73/1255695673.db2.gz OLLKHDCDIHKTRN-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079990890 1255695681 /nfs/dbraw/zinc/69/56/81/1255695681.db2.gz OLLKHDCDIHKTRN-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318285 1255838508 /nfs/dbraw/zinc/83/85/08/1255838508.db2.gz MHCFSGWIBOFPIB-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318285 1255838518 /nfs/dbraw/zinc/83/85/18/1255838518.db2.gz MHCFSGWIBOFPIB-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318285 1255838533 /nfs/dbraw/zinc/83/85/33/1255838533.db2.gz MHCFSGWIBOFPIB-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)C1 ZINC001080318285 1255838541 /nfs/dbraw/zinc/83/85/41/1255838541.db2.gz MHCFSGWIBOFPIB-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593235 1255946196 /nfs/dbraw/zinc/94/61/96/1255946196.db2.gz PRUIVOZMSPJYQH-CZUORRHYSA-N 2 2 360.462 0.991 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593235 1255946206 /nfs/dbraw/zinc/94/62/06/1255946206.db2.gz PRUIVOZMSPJYQH-CZUORRHYSA-N 2 2 360.462 0.991 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682128 1255986247 /nfs/dbraw/zinc/98/62/47/1255986247.db2.gz YPJCCGOUKHIZNB-XYPHTWIQSA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682128 1255986252 /nfs/dbraw/zinc/98/62/52/1255986252.db2.gz YPJCCGOUKHIZNB-XYPHTWIQSA-N 2 2 368.441 0.596 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979300 1256124019 /nfs/dbraw/zinc/12/40/19/1256124019.db2.gz JNUPDQISSACZIN-OLMNPRSZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979300 1256124027 /nfs/dbraw/zinc/12/40/27/1256124027.db2.gz JNUPDQISSACZIN-OLMNPRSZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979300 1256124031 /nfs/dbraw/zinc/12/40/31/1256124031.db2.gz JNUPDQISSACZIN-OLMNPRSZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)ccn3)C[C@H]2C)C1 ZINC001080979300 1256124034 /nfs/dbraw/zinc/12/40/34/1256124034.db2.gz JNUPDQISSACZIN-OLMNPRSZSA-N 2 2 362.474 0.747 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001081135421 1256190377 /nfs/dbraw/zinc/19/03/77/1256190377.db2.gz WKKUAYQTPSASRQ-YESZJQIVSA-N 2 2 367.453 0.515 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446341 1256259219 /nfs/dbraw/zinc/25/92/19/1256259219.db2.gz WZURJMUHKQDJMG-BRWVUGGUSA-N 2 2 359.430 0.632 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446341 1256259225 /nfs/dbraw/zinc/25/92/25/1256259225.db2.gz WZURJMUHKQDJMG-BRWVUGGUSA-N 2 2 359.430 0.632 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081446341 1256259230 /nfs/dbraw/zinc/25/92/30/1256259230.db2.gz WZURJMUHKQDJMG-BRWVUGGUSA-N 2 2 359.430 0.632 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081446341 1256259239 /nfs/dbraw/zinc/25/92/39/1256259239.db2.gz WZURJMUHKQDJMG-BRWVUGGUSA-N 2 2 359.430 0.632 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481649 1256270107 /nfs/dbraw/zinc/27/01/07/1256270107.db2.gz PUOAWIKTYLJNHH-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481649 1256270113 /nfs/dbraw/zinc/27/01/13/1256270113.db2.gz PUOAWIKTYLJNHH-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481649 1256270115 /nfs/dbraw/zinc/27/01/15/1256270115.db2.gz PUOAWIKTYLJNHH-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481649 1256270120 /nfs/dbraw/zinc/27/01/20/1256270120.db2.gz PUOAWIKTYLJNHH-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481708 1256270222 /nfs/dbraw/zinc/27/02/22/1256270222.db2.gz SGUXTGPQPKXSDR-GUDVDZBRSA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481708 1256270225 /nfs/dbraw/zinc/27/02/25/1256270225.db2.gz SGUXTGPQPKXSDR-GUDVDZBRSA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481708 1256270232 /nfs/dbraw/zinc/27/02/32/1256270232.db2.gz SGUXTGPQPKXSDR-GUDVDZBRSA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481708 1256270238 /nfs/dbraw/zinc/27/02/38/1256270238.db2.gz SGUXTGPQPKXSDR-GUDVDZBRSA-N 2 2 361.486 0.765 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670481 1256328705 /nfs/dbraw/zinc/32/87/05/1256328705.db2.gz VUSOKLRMSRFTPG-KZNAEPCWSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670481 1256328713 /nfs/dbraw/zinc/32/87/13/1256328713.db2.gz VUSOKLRMSRFTPG-KZNAEPCWSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796547 1256376253 /nfs/dbraw/zinc/37/62/53/1256376253.db2.gz ZWYFNCRNCQHFLE-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796547 1256376256 /nfs/dbraw/zinc/37/62/56/1256376256.db2.gz ZWYFNCRNCQHFLE-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081796547 1256376260 /nfs/dbraw/zinc/37/62/60/1256376260.db2.gz ZWYFNCRNCQHFLE-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796547 1256376264 /nfs/dbraw/zinc/37/62/64/1256376264.db2.gz ZWYFNCRNCQHFLE-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081796547 1256376267 /nfs/dbraw/zinc/37/62/67/1256376267.db2.gz ZWYFNCRNCQHFLE-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796547 1256376273 /nfs/dbraw/zinc/37/62/73/1256376273.db2.gz ZWYFNCRNCQHFLE-KBAYOESNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001081867133 1256418952 /nfs/dbraw/zinc/41/89/52/1256418952.db2.gz HAODDQBVDRXOLX-CGTJXYLNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001081867133 1256418953 /nfs/dbraw/zinc/41/89/53/1256418953.db2.gz HAODDQBVDRXOLX-CGTJXYLNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001081867495 1256419014 /nfs/dbraw/zinc/41/90/14/1256419014.db2.gz VSQMRFQFSGSXBY-USXIJHARSA-N 2 2 358.446 0.158 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001081867495 1256419015 /nfs/dbraw/zinc/41/90/15/1256419015.db2.gz VSQMRFQFSGSXBY-USXIJHARSA-N 2 2 358.446 0.158 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081879841 1256427544 /nfs/dbraw/zinc/42/75/44/1256427544.db2.gz BCMZUSBQRJVLBO-IAGOWNOFSA-N 2 2 371.441 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081879841 1256427546 /nfs/dbraw/zinc/42/75/46/1256427546.db2.gz BCMZUSBQRJVLBO-IAGOWNOFSA-N 2 2 371.441 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899700 1256443218 /nfs/dbraw/zinc/44/32/18/1256443218.db2.gz FYQXXZVDXXEJEF-BZUAXINKSA-N 2 2 357.414 0.042 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899700 1256443222 /nfs/dbraw/zinc/44/32/22/1256443222.db2.gz FYQXXZVDXXEJEF-BZUAXINKSA-N 2 2 357.414 0.042 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052534 1256510723 /nfs/dbraw/zinc/51/07/23/1256510723.db2.gz FTJPKSAMFBGFFU-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052534 1256510728 /nfs/dbraw/zinc/51/07/28/1256510728.db2.gz FTJPKSAMFBGFFU-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052534 1256510733 /nfs/dbraw/zinc/51/07/33/1256510733.db2.gz FTJPKSAMFBGFFU-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052534 1256510741 /nfs/dbraw/zinc/51/07/41/1256510741.db2.gz FTJPKSAMFBGFFU-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]2OC)C1 ZINC001082052534 1256510747 /nfs/dbraw/zinc/51/07/47/1256510747.db2.gz FTJPKSAMFBGFFU-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]2OC)C1 ZINC001082052534 1256510752 /nfs/dbraw/zinc/51/07/52/1256510752.db2.gz FTJPKSAMFBGFFU-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052473 1256510965 /nfs/dbraw/zinc/51/09/65/1256510965.db2.gz FGHOQKBCOGONPD-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052473 1256510967 /nfs/dbraw/zinc/51/09/67/1256510967.db2.gz FGHOQKBCOGONPD-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052473 1256510970 /nfs/dbraw/zinc/51/09/70/1256510970.db2.gz FGHOQKBCOGONPD-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052473 1256510972 /nfs/dbraw/zinc/51/09/72/1256510972.db2.gz FGHOQKBCOGONPD-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053141 1256512771 /nfs/dbraw/zinc/51/27/71/1256512771.db2.gz ZXVRZKXMEWMEEN-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053141 1256512775 /nfs/dbraw/zinc/51/27/75/1256512775.db2.gz ZXVRZKXMEWMEEN-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053141 1256512779 /nfs/dbraw/zinc/51/27/79/1256512779.db2.gz ZXVRZKXMEWMEEN-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2OC)C1 ZINC001082053141 1256512784 /nfs/dbraw/zinc/51/27/84/1256512784.db2.gz ZXVRZKXMEWMEEN-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057787 1256513918 /nfs/dbraw/zinc/51/39/18/1256513918.db2.gz DDQITTABQAPPTF-DJIMGWMZSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057787 1256513921 /nfs/dbraw/zinc/51/39/21/1256513921.db2.gz DDQITTABQAPPTF-DJIMGWMZSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057787 1256513924 /nfs/dbraw/zinc/51/39/24/1256513924.db2.gz DDQITTABQAPPTF-DJIMGWMZSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082057787 1256513928 /nfs/dbraw/zinc/51/39/28/1256513928.db2.gz DDQITTABQAPPTF-DJIMGWMZSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066462 1256519111 /nfs/dbraw/zinc/51/91/11/1256519111.db2.gz SLJKEMFCHXTKNO-OXXUSNJHSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066462 1256519114 /nfs/dbraw/zinc/51/91/14/1256519114.db2.gz SLJKEMFCHXTKNO-OXXUSNJHSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066462 1256519120 /nfs/dbraw/zinc/51/91/20/1256519120.db2.gz SLJKEMFCHXTKNO-OXXUSNJHSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066462 1256519125 /nfs/dbraw/zinc/51/91/25/1256519125.db2.gz SLJKEMFCHXTKNO-OXXUSNJHSA-N 2 2 361.490 0.831 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001082134024 1256551639 /nfs/dbraw/zinc/55/16/39/1256551639.db2.gz YALMWMVJQSAZSH-USXIJHARSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001082134024 1256551644 /nfs/dbraw/zinc/55/16/44/1256551644.db2.gz YALMWMVJQSAZSH-USXIJHARSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001082134024 1256551650 /nfs/dbraw/zinc/55/16/50/1256551650.db2.gz YALMWMVJQSAZSH-USXIJHARSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001082134024 1256551654 /nfs/dbraw/zinc/55/16/54/1256551654.db2.gz YALMWMVJQSAZSH-USXIJHARSA-N 2 2 362.474 0.890 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201364 1256588081 /nfs/dbraw/zinc/58/80/81/1256588081.db2.gz ZHNJROCYGMGTJD-KBRIMQKVSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201364 1256588087 /nfs/dbraw/zinc/58/80/87/1256588087.db2.gz ZHNJROCYGMGTJD-KBRIMQKVSA-N 2 2 366.506 0.201 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](OC)C2)C1=O ZINC001082271450 1256622499 /nfs/dbraw/zinc/62/24/99/1256622499.db2.gz AUSJGFAHSHNCPS-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](OC)C2)C1=O ZINC001082271450 1256622505 /nfs/dbraw/zinc/62/25/05/1256622505.db2.gz AUSJGFAHSHNCPS-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326916 1256668791 /nfs/dbraw/zinc/66/87/91/1256668791.db2.gz UYFFTTTYFROHFD-BFYDXBDKSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326916 1256668796 /nfs/dbraw/zinc/66/87/96/1256668796.db2.gz UYFFTTTYFROHFD-BFYDXBDKSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326916 1256668807 /nfs/dbraw/zinc/66/88/07/1256668807.db2.gz UYFFTTTYFROHFD-BFYDXBDKSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326916 1256668813 /nfs/dbraw/zinc/66/88/13/1256668813.db2.gz UYFFTTTYFROHFD-BFYDXBDKSA-N 2 2 364.494 0.264 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326588 1256668951 /nfs/dbraw/zinc/66/89/51/1256668951.db2.gz JPLXBTMBFRFIOS-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326588 1256668952 /nfs/dbraw/zinc/66/89/52/1256668952.db2.gz JPLXBTMBFRFIOS-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326588 1256668954 /nfs/dbraw/zinc/66/89/54/1256668954.db2.gz JPLXBTMBFRFIOS-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326588 1256668956 /nfs/dbraw/zinc/66/89/56/1256668956.db2.gz JPLXBTMBFRFIOS-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001082382398 1256733305 /nfs/dbraw/zinc/73/33/05/1256733305.db2.gz BJXHNKHJQZORKE-IAGOWNOFSA-N 2 2 362.474 0.265 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001082382398 1256733310 /nfs/dbraw/zinc/73/33/10/1256733310.db2.gz BJXHNKHJQZORKE-IAGOWNOFSA-N 2 2 362.474 0.265 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC001082458623 1256770372 /nfs/dbraw/zinc/77/03/72/1256770372.db2.gz XJJGQTUDAOWICL-BNOWGMLFSA-N 2 2 371.432 0.625 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC001082458623 1256770378 /nfs/dbraw/zinc/77/03/78/1256770378.db2.gz XJJGQTUDAOWICL-BNOWGMLFSA-N 2 2 371.432 0.625 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082459206 1256770661 /nfs/dbraw/zinc/77/06/61/1256770661.db2.gz RIQAGPZXFMXKET-VMGRFDJRSA-N 2 2 364.446 0.014 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1noc2c1COCC2 ZINC001082459206 1256770667 /nfs/dbraw/zinc/77/06/67/1256770667.db2.gz RIQAGPZXFMXKET-VMGRFDJRSA-N 2 2 364.446 0.014 20 0 FCADLP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N1CC[NH2+]CC1 ZINC001330583599 1266063737 /nfs/dbraw/zinc/06/37/37/1266063737.db2.gz AHIHGKJSBVPEDQ-UHFFFAOYSA-N 3 2 360.506 0.488 20 0 FCADLP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N1CC[NH2+]CC1 ZINC001330583599 1266063747 /nfs/dbraw/zinc/06/37/47/1266063747.db2.gz AHIHGKJSBVPEDQ-UHFFFAOYSA-N 3 2 360.506 0.488 20 0 FCADLP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001330593689 1266065751 /nfs/dbraw/zinc/06/57/51/1266065751.db2.gz ARGYBAGTJKUZCF-INIZCTEOSA-N 2 2 363.510 0.258 20 0 FCADLP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001330593689 1266065758 /nfs/dbraw/zinc/06/57/58/1266065758.db2.gz ARGYBAGTJKUZCF-INIZCTEOSA-N 2 2 363.510 0.258 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)c[nH+]1 ZINC001082588682 1256902419 /nfs/dbraw/zinc/90/24/19/1256902419.db2.gz JUWOCWHJTIRAOI-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082603258 1256913827 /nfs/dbraw/zinc/91/38/27/1256913827.db2.gz RFABCLUHCCPKPM-HYVNUMGLSA-N 2 2 356.474 0.858 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)C2 ZINC001082605094 1256915869 /nfs/dbraw/zinc/91/58/69/1256915869.db2.gz STJGQDPBLFBNDI-HACGYAERSA-N 2 2 359.474 0.492 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C1)CC2 ZINC001082605094 1256915875 /nfs/dbraw/zinc/91/58/75/1256915875.db2.gz STJGQDPBLFBNDI-HACGYAERSA-N 2 2 359.474 0.492 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C1)C2 ZINC001082605060 1256916307 /nfs/dbraw/zinc/91/63/07/1256916307.db2.gz QKGMNMILKATQGZ-HACGYAERSA-N 2 2 357.462 0.551 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001082605060 1256916312 /nfs/dbraw/zinc/91/63/12/1256916312.db2.gz QKGMNMILKATQGZ-HACGYAERSA-N 2 2 357.462 0.551 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082608911 1256919785 /nfs/dbraw/zinc/91/97/85/1256919785.db2.gz GHFIPJSHWAUHIB-CZUORRHYSA-N 2 2 363.462 0.409 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082637110 1256944793 /nfs/dbraw/zinc/94/47/93/1256944793.db2.gz MCIGBEDMILIBBQ-CXAGYDPISA-N 2 2 366.429 0.646 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C)n1 ZINC001082751294 1257031112 /nfs/dbraw/zinc/03/11/12/1257031112.db2.gz SKUADOAIMCXGCB-DTZQCDIJSA-N 2 2 370.457 0.959 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C)nn1 ZINC001082751636 1257032529 /nfs/dbraw/zinc/03/25/29/1257032529.db2.gz RIAHQOBRDHSDIO-DTZQCDIJSA-N 2 2 357.462 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082767219 1257040758 /nfs/dbraw/zinc/04/07/58/1257040758.db2.gz CVGMWLDBIAMPSV-MLGOLLRUSA-N 2 2 353.430 0.871 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082783073 1257047689 /nfs/dbraw/zinc/04/76/89/1257047689.db2.gz YWHIERFJEJWKKP-RBSFLKMASA-N 2 2 364.494 0.308 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082783073 1257047697 /nfs/dbraw/zinc/04/76/97/1257047697.db2.gz YWHIERFJEJWKKP-RBSFLKMASA-N 2 2 364.494 0.308 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@H](C)O1 ZINC001521125025 1266087750 /nfs/dbraw/zinc/08/77/50/1266087750.db2.gz AAJZQQMWAPXJFA-IYBDPMFKSA-N 2 2 370.494 0.234 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@H](C)O1 ZINC001521125025 1266087761 /nfs/dbraw/zinc/08/77/61/1266087761.db2.gz AAJZQQMWAPXJFA-IYBDPMFKSA-N 2 2 370.494 0.234 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C[C@H](C)O1 ZINC001521125025 1266087771 /nfs/dbraw/zinc/08/77/71/1266087771.db2.gz AAJZQQMWAPXJFA-IYBDPMFKSA-N 2 2 370.494 0.234 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C[C@H](C)O1 ZINC001521125025 1266087776 /nfs/dbraw/zinc/08/77/76/1266087776.db2.gz AAJZQQMWAPXJFA-IYBDPMFKSA-N 2 2 370.494 0.234 20 0 FCADLP Cc1nc([C@@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)no1 ZINC001082828740 1257085502 /nfs/dbraw/zinc/08/55/02/1257085502.db2.gz CRBZCWVKCHLABJ-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082838800 1257093700 /nfs/dbraw/zinc/09/37/00/1257093700.db2.gz RQSLQTDLTYFKNG-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001082892536 1257128424 /nfs/dbraw/zinc/12/84/24/1257128424.db2.gz GAJCHIVTEBQPFK-BFYDXBDKSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ncnn1CCF ZINC001082893247 1257128905 /nfs/dbraw/zinc/12/89/05/1257128905.db2.gz WJFWTNWFVYSWAS-UKRRQHHQSA-N 2 2 363.441 0.550 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)C1 ZINC001082922010 1257145188 /nfs/dbraw/zinc/14/51/88/1257145188.db2.gz CODNAXPYENHTPE-LALPHHSUSA-N 2 2 358.450 0.711 20 0 FCADLP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001082922094 1257146392 /nfs/dbraw/zinc/14/63/92/1257146392.db2.gz IQSMJDPJIGYUPB-UKRRQHHQSA-N 2 2 360.466 0.615 20 0 FCADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923675 1257148437 /nfs/dbraw/zinc/14/84/37/1257148437.db2.gz WUIXIIZDGHWOPG-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082934477 1257155061 /nfs/dbraw/zinc/15/50/61/1257155061.db2.gz MYQUKKJSOIZHAZ-OLMNPRSZSA-N 2 2 361.490 0.467 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082934613 1257156016 /nfs/dbraw/zinc/15/60/16/1257156016.db2.gz RMKCTANDTWFXSH-ZTFGCOKTSA-N 2 2 361.490 0.467 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082944275 1257160458 /nfs/dbraw/zinc/16/04/58/1257160458.db2.gz MUADOICBRQTDOY-FRFSOERESA-N 2 2 357.462 0.450 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CCn1cncn1 ZINC001082946755 1257162508 /nfs/dbraw/zinc/16/25/08/1257162508.db2.gz QDYYTHBZXPEGLQ-DJIMGWMZSA-N 2 2 357.462 0.413 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC001082957947 1257168368 /nfs/dbraw/zinc/16/83/68/1257168368.db2.gz JPZXTBXJXYATRE-SRCQZFHVSA-N 2 2 359.405 0.685 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)cn1 ZINC001083083847 1257284115 /nfs/dbraw/zinc/28/41/15/1257284115.db2.gz OMQWHUDGVAIBRH-FGTMMUONSA-N 2 2 359.474 0.174 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)cn1 ZINC001083083847 1257284123 /nfs/dbraw/zinc/28/41/23/1257284123.db2.gz OMQWHUDGVAIBRH-FGTMMUONSA-N 2 2 359.474 0.174 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@H]2C1 ZINC001083126204 1257365551 /nfs/dbraw/zinc/36/55/51/1257365551.db2.gz COLDBWGAXITFIR-YESZJQIVSA-N 2 2 371.441 0.432 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@H]2C1 ZINC001083126204 1257365558 /nfs/dbraw/zinc/36/55/58/1257365558.db2.gz COLDBWGAXITFIR-YESZJQIVSA-N 2 2 371.441 0.432 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885258 1266111284 /nfs/dbraw/zinc/11/12/84/1266111284.db2.gz GDOCAMBQWBKKPQ-MSOLQXFVSA-N 2 2 358.486 0.932 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001330885258 1266111290 /nfs/dbraw/zinc/11/12/90/1266111290.db2.gz GDOCAMBQWBKKPQ-MSOLQXFVSA-N 2 2 358.486 0.932 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083645540 1257463938 /nfs/dbraw/zinc/46/39/38/1257463938.db2.gz GDMHIRCNWUNCIR-AEFFLSMTSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083645540 1257463941 /nfs/dbraw/zinc/46/39/41/1257463941.db2.gz GDMHIRCNWUNCIR-AEFFLSMTSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083645621 1257463974 /nfs/dbraw/zinc/46/39/74/1257463974.db2.gz KCRRGEDRCVBRJO-MSOLQXFVSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083645621 1257463976 /nfs/dbraw/zinc/46/39/76/1257463976.db2.gz KCRRGEDRCVBRJO-MSOLQXFVSA-N 2 2 357.458 0.619 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1F ZINC001083645565 1257464576 /nfs/dbraw/zinc/46/45/76/1257464576.db2.gz HJHAUCQQYLNESZ-CVEARBPZSA-N 2 2 362.405 0.701 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1F ZINC001083645565 1257464579 /nfs/dbraw/zinc/46/45/79/1257464579.db2.gz HJHAUCQQYLNESZ-CVEARBPZSA-N 2 2 362.405 0.701 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC1 ZINC001083750089 1257489070 /nfs/dbraw/zinc/48/90/70/1257489070.db2.gz FPHGSXRDWXQVLO-SJORKVTESA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC1 ZINC001083750089 1257489074 /nfs/dbraw/zinc/48/90/74/1257489074.db2.gz FPHGSXRDWXQVLO-SJORKVTESA-N 2 2 363.506 0.641 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)C1 ZINC001083781299 1257526568 /nfs/dbraw/zinc/52/65/68/1257526568.db2.gz BFCXEMPSQLPPOK-MSOLQXFVSA-N 2 2 361.486 0.572 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)C1 ZINC001083781299 1257526573 /nfs/dbraw/zinc/52/65/73/1257526573.db2.gz BFCXEMPSQLPPOK-MSOLQXFVSA-N 2 2 361.486 0.572 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2O)C1 ZINC001083781299 1257526577 /nfs/dbraw/zinc/52/65/77/1257526577.db2.gz BFCXEMPSQLPPOK-MSOLQXFVSA-N 2 2 361.486 0.572 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)C1 ZINC001083781299 1257526581 /nfs/dbraw/zinc/52/65/81/1257526581.db2.gz BFCXEMPSQLPPOK-MSOLQXFVSA-N 2 2 361.486 0.572 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896123 1257671617 /nfs/dbraw/zinc/67/16/17/1257671617.db2.gz WKFODWICQHEHSS-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896123 1257671621 /nfs/dbraw/zinc/67/16/21/1257671621.db2.gz WKFODWICQHEHSS-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915418 1257697842 /nfs/dbraw/zinc/69/78/42/1257697842.db2.gz PZXXREVUYGVXKG-JQHSSLGASA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915418 1257697845 /nfs/dbraw/zinc/69/78/45/1257697845.db2.gz PZXXREVUYGVXKG-JQHSSLGASA-N 2 2 371.441 0.611 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083936936 1257722168 /nfs/dbraw/zinc/72/21/68/1257722168.db2.gz CXESPKVMZYSQBA-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083936936 1257722173 /nfs/dbraw/zinc/72/21/73/1257722173.db2.gz CXESPKVMZYSQBA-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@@H]1O ZINC001083954184 1257742425 /nfs/dbraw/zinc/74/24/25/1257742425.db2.gz OOZQCOXWYRGMHJ-MSOLQXFVSA-N 2 2 360.433 0.896 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@@H]1O ZINC001083954184 1257742428 /nfs/dbraw/zinc/74/24/28/1257742428.db2.gz OOZQCOXWYRGMHJ-MSOLQXFVSA-N 2 2 360.433 0.896 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001083954383 1257742828 /nfs/dbraw/zinc/74/28/28/1257742828.db2.gz XODZBIRLGFTKNY-KURKYZTESA-N 2 2 358.417 0.951 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001083954383 1257742836 /nfs/dbraw/zinc/74/28/36/1257742836.db2.gz XODZBIRLGFTKNY-KURKYZTESA-N 2 2 358.417 0.951 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955186 1257745120 /nfs/dbraw/zinc/74/51/20/1257745120.db2.gz ZWQHTGCITOSUIH-XWIAVFTESA-N 2 2 365.449 0.321 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955186 1257745127 /nfs/dbraw/zinc/74/51/27/1257745127.db2.gz ZWQHTGCITOSUIH-XWIAVFTESA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955186 1257745131 /nfs/dbraw/zinc/74/51/31/1257745131.db2.gz ZWQHTGCITOSUIH-XWIAVFTESA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)C1 ZINC001083955186 1257745140 /nfs/dbraw/zinc/74/51/40/1257745140.db2.gz ZWQHTGCITOSUIH-XWIAVFTESA-N 2 2 365.449 0.321 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957662 1257747497 /nfs/dbraw/zinc/74/74/97/1257747497.db2.gz JXIBRQOZPLHKGO-ZACQAIPSSA-N 2 2 363.433 0.116 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957662 1257747505 /nfs/dbraw/zinc/74/75/05/1257747505.db2.gz JXIBRQOZPLHKGO-ZACQAIPSSA-N 2 2 363.433 0.116 20 0 FCADLP CC(C)(C)n1cc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cn1 ZINC001083959534 1257749660 /nfs/dbraw/zinc/74/96/60/1257749660.db2.gz YATLFNGZEXLHNP-CVEARBPZSA-N 2 2 361.490 0.395 20 0 FCADLP CC(C)(C)n1cc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cn1 ZINC001083959534 1257749665 /nfs/dbraw/zinc/74/96/65/1257749665.db2.gz YATLFNGZEXLHNP-CVEARBPZSA-N 2 2 361.490 0.395 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053998 1257864873 /nfs/dbraw/zinc/86/48/73/1257864873.db2.gz SJQGTIZMRQBSJU-LZQZEXGQSA-N 2 2 370.453 0.955 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053998 1257864884 /nfs/dbraw/zinc/86/48/84/1257864884.db2.gz SJQGTIZMRQBSJU-LZQZEXGQSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053998 1257864895 /nfs/dbraw/zinc/86/48/95/1257864895.db2.gz SJQGTIZMRQBSJU-LZQZEXGQSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]2O)C1 ZINC001084053998 1257864905 /nfs/dbraw/zinc/86/49/05/1257864905.db2.gz SJQGTIZMRQBSJU-LZQZEXGQSA-N 2 2 370.453 0.955 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115378 1257933422 /nfs/dbraw/zinc/93/34/22/1257933422.db2.gz MPOAZPVVWHVLIZ-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115378 1257933427 /nfs/dbraw/zinc/93/34/27/1257933427.db2.gz MPOAZPVVWHVLIZ-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC001331118377 1266150285 /nfs/dbraw/zinc/15/02/85/1266150285.db2.gz HSGWMMNHGHPXKK-QAETUUGQSA-N 2 2 366.506 0.380 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251404 1257989124 /nfs/dbraw/zinc/98/91/24/1257989124.db2.gz MERSFRJOZVPAEQ-OLMNPRSZSA-N 2 2 371.441 0.586 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251404 1257989127 /nfs/dbraw/zinc/98/91/27/1257989127.db2.gz MERSFRJOZVPAEQ-OLMNPRSZSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251404 1257989128 /nfs/dbraw/zinc/98/91/28/1257989128.db2.gz MERSFRJOZVPAEQ-OLMNPRSZSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251404 1257989129 /nfs/dbraw/zinc/98/91/29/1257989129.db2.gz MERSFRJOZVPAEQ-OLMNPRSZSA-N 2 2 371.441 0.586 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252374 1257989972 /nfs/dbraw/zinc/98/99/72/1257989972.db2.gz WTVMRNONYGJLAU-QRQLOZEOSA-N 2 2 359.470 0.929 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252374 1257989978 /nfs/dbraw/zinc/98/99/78/1257989978.db2.gz WTVMRNONYGJLAU-QRQLOZEOSA-N 2 2 359.470 0.929 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252374 1257989981 /nfs/dbraw/zinc/98/99/81/1257989981.db2.gz WTVMRNONYGJLAU-QRQLOZEOSA-N 2 2 359.470 0.929 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001084252374 1257989984 /nfs/dbraw/zinc/98/99/84/1257989984.db2.gz WTVMRNONYGJLAU-QRQLOZEOSA-N 2 2 359.470 0.929 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001084355812 1258045872 /nfs/dbraw/zinc/04/58/72/1258045872.db2.gz JQBUSHZZBKLAQA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001084355812 1258045879 /nfs/dbraw/zinc/04/58/79/1258045879.db2.gz JQBUSHZZBKLAQA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001084355812 1258045888 /nfs/dbraw/zinc/04/58/88/1258045888.db2.gz JQBUSHZZBKLAQA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC001084355812 1258045898 /nfs/dbraw/zinc/04/58/98/1258045898.db2.gz JQBUSHZZBKLAQA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084466160 1258121190 /nfs/dbraw/zinc/12/11/90/1258121190.db2.gz DVRRSFFWAZATFY-JFIYKMOQSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084466160 1258121191 /nfs/dbraw/zinc/12/11/91/1258121191.db2.gz DVRRSFFWAZATFY-JFIYKMOQSA-N 2 2 371.485 0.601 20 0 FCADLP Cn1cncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532770 1258155477 /nfs/dbraw/zinc/15/54/77/1258155477.db2.gz NURIQVOITKPFHT-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP Cn1cncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532770 1258155480 /nfs/dbraw/zinc/15/54/80/1258155480.db2.gz NURIQVOITKPFHT-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP Cn1cncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532770 1258155484 /nfs/dbraw/zinc/15/54/84/1258155484.db2.gz NURIQVOITKPFHT-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP Cn1cncc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532770 1258155489 /nfs/dbraw/zinc/15/54/89/1258155489.db2.gz NURIQVOITKPFHT-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545028 1258163831 /nfs/dbraw/zinc/16/38/31/1258163831.db2.gz SHVUNKNPDQPHCM-YXJHDRRASA-N 2 2 358.486 0.811 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545028 1258163832 /nfs/dbraw/zinc/16/38/32/1258163832.db2.gz SHVUNKNPDQPHCM-YXJHDRRASA-N 2 2 358.486 0.811 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084561212 1258171074 /nfs/dbraw/zinc/17/10/74/1258171074.db2.gz YGSRMLWWDSHUBG-KBAYOESNSA-N 2 2 371.485 0.959 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084561212 1258171077 /nfs/dbraw/zinc/17/10/77/1258171077.db2.gz YGSRMLWWDSHUBG-KBAYOESNSA-N 2 2 371.485 0.959 20 0 FCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084713937 1258260587 /nfs/dbraw/zinc/26/05/87/1258260587.db2.gz GFSWQZMKBHFPJS-CRAIPNDOSA-N 2 2 371.489 0.525 20 0 FCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084713937 1258260596 /nfs/dbraw/zinc/26/05/96/1258260596.db2.gz GFSWQZMKBHFPJS-CRAIPNDOSA-N 2 2 371.489 0.525 20 0 FCADLP Cn1cncc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714002 1258260874 /nfs/dbraw/zinc/26/08/74/1258260874.db2.gz JKRBRPIHCJWZNJ-CRAIPNDOSA-N 2 2 371.489 0.525 20 0 FCADLP Cn1cncc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714002 1258260879 /nfs/dbraw/zinc/26/08/79/1258260879.db2.gz JKRBRPIHCJWZNJ-CRAIPNDOSA-N 2 2 371.489 0.525 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)ncn1 ZINC001084722702 1258267602 /nfs/dbraw/zinc/26/76/02/1258267602.db2.gz ZQKABFJMKATGPL-SJLPKXTDSA-N 2 2 359.474 0.540 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)ncn1 ZINC001084722702 1258267606 /nfs/dbraw/zinc/26/76/06/1258267606.db2.gz ZQKABFJMKATGPL-SJLPKXTDSA-N 2 2 359.474 0.540 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084744036 1258285111 /nfs/dbraw/zinc/28/51/11/1258285111.db2.gz RMIFAYJRQVBWHS-KBRIMQKVSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084744036 1258285113 /nfs/dbraw/zinc/28/51/13/1258285113.db2.gz RMIFAYJRQVBWHS-KBRIMQKVSA-N 2 2 366.425 0.302 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084779629 1258321695 /nfs/dbraw/zinc/32/16/95/1258321695.db2.gz QWQARXLYNCSXGN-RHSMWYFYSA-N 2 2 357.458 0.526 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084779629 1258321702 /nfs/dbraw/zinc/32/17/02/1258321702.db2.gz QWQARXLYNCSXGN-RHSMWYFYSA-N 2 2 357.458 0.526 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084799213 1258338733 /nfs/dbraw/zinc/33/87/33/1258338733.db2.gz XHBKODFVTVDQLV-HLLBOEOZSA-N 2 2 358.446 0.051 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084799213 1258338738 /nfs/dbraw/zinc/33/87/38/1258338738.db2.gz XHBKODFVTVDQLV-HLLBOEOZSA-N 2 2 358.446 0.051 20 0 FCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001084866068 1258408421 /nfs/dbraw/zinc/40/84/21/1258408421.db2.gz YZGLLFPHHBTNCK-QZTJIDSGSA-N 2 2 367.453 0.976 20 0 FCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001084866068 1258408423 /nfs/dbraw/zinc/40/84/23/1258408423.db2.gz YZGLLFPHHBTNCK-QZTJIDSGSA-N 2 2 367.453 0.976 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21)NC1CC1 ZINC001084957957 1258469649 /nfs/dbraw/zinc/46/96/49/1258469649.db2.gz GIOUEIAUVJKQJM-PVAVHDDUSA-N 2 2 371.485 0.962 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21)NC1CC1 ZINC001084957957 1258469652 /nfs/dbraw/zinc/46/96/52/1258469652.db2.gz GIOUEIAUVJKQJM-PVAVHDDUSA-N 2 2 371.485 0.962 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)cn1 ZINC001084970256 1258482608 /nfs/dbraw/zinc/48/26/08/1258482608.db2.gz WOYWCLXEAUEBJW-DQEVTTJGSA-N 2 2 373.501 0.927 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)cn1 ZINC001084970256 1258482613 /nfs/dbraw/zinc/48/26/13/1258482613.db2.gz WOYWCLXEAUEBJW-DQEVTTJGSA-N 2 2 373.501 0.927 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)cn1 ZINC001084970256 1258482616 /nfs/dbraw/zinc/48/26/16/1258482616.db2.gz WOYWCLXEAUEBJW-DQEVTTJGSA-N 2 2 373.501 0.927 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)cn1 ZINC001084970256 1258482620 /nfs/dbraw/zinc/48/26/20/1258482620.db2.gz WOYWCLXEAUEBJW-DQEVTTJGSA-N 2 2 373.501 0.927 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975428 1258487986 /nfs/dbraw/zinc/48/79/86/1258487986.db2.gz DUZUDAWVFNSODZ-RYRKJORJSA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975428 1258487989 /nfs/dbraw/zinc/48/79/89/1258487989.db2.gz DUZUDAWVFNSODZ-RYRKJORJSA-N 2 2 369.473 0.660 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001085075695 1258570161 /nfs/dbraw/zinc/57/01/61/1258570161.db2.gz DDIUCLQNDFSKEE-CABCVRRESA-N 2 2 357.462 0.902 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001085075695 1258570164 /nfs/dbraw/zinc/57/01/64/1258570164.db2.gz DDIUCLQNDFSKEE-CABCVRRESA-N 2 2 357.462 0.902 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085075511 1258570216 /nfs/dbraw/zinc/57/02/16/1258570216.db2.gz OWSHQAIFWLOTPY-INMHGKMJSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085075511 1258570222 /nfs/dbraw/zinc/57/02/22/1258570222.db2.gz OWSHQAIFWLOTPY-INMHGKMJSA-N 2 2 369.473 0.664 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085083363 1258576825 /nfs/dbraw/zinc/57/68/25/1258576825.db2.gz VODIWGCOTZEPJI-INMHGKMJSA-N 2 2 369.473 0.962 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085083363 1258576832 /nfs/dbraw/zinc/57/68/32/1258576832.db2.gz VODIWGCOTZEPJI-INMHGKMJSA-N 2 2 369.473 0.962 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001085083146 1258577721 /nfs/dbraw/zinc/57/77/21/1258577721.db2.gz BYBABRSNRXJOJA-PBHICJAKSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001085083146 1258577724 /nfs/dbraw/zinc/57/77/24/1258577724.db2.gz BYBABRSNRXJOJA-PBHICJAKSA-N 2 2 359.474 0.804 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092981 1258587915 /nfs/dbraw/zinc/58/79/15/1258587915.db2.gz YTGAAJGADKVMAE-KFWWJZLASA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092981 1258587919 /nfs/dbraw/zinc/58/79/19/1258587919.db2.gz YTGAAJGADKVMAE-KFWWJZLASA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092981 1258587925 /nfs/dbraw/zinc/58/79/25/1258587925.db2.gz YTGAAJGADKVMAE-KFWWJZLASA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092981 1258587930 /nfs/dbraw/zinc/58/79/30/1258587930.db2.gz YTGAAJGADKVMAE-KFWWJZLASA-N 2 2 363.462 0.591 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085105899 1258599561 /nfs/dbraw/zinc/59/95/61/1258599561.db2.gz OCUDNEBCSYEYKU-ZACQAIPSSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085105899 1258599564 /nfs/dbraw/zinc/59/95/64/1258599564.db2.gz OCUDNEBCSYEYKU-ZACQAIPSSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)Nc1ccon1 ZINC001088201411 1258724042 /nfs/dbraw/zinc/72/40/42/1258724042.db2.gz AWAGKVRFXKOZPW-CABCVRRESA-N 2 2 361.446 0.489 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1)Nc1ccon1 ZINC001088201411 1258724046 /nfs/dbraw/zinc/72/40/46/1258724046.db2.gz AWAGKVRFXKOZPW-CABCVRRESA-N 2 2 361.446 0.489 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207925 1258729967 /nfs/dbraw/zinc/72/99/67/1258729967.db2.gz CPPKFKKQWQDIRI-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207925 1258729971 /nfs/dbraw/zinc/72/99/71/1258729971.db2.gz CPPKFKKQWQDIRI-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207925 1258729975 /nfs/dbraw/zinc/72/99/75/1258729975.db2.gz CPPKFKKQWQDIRI-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207925 1258729978 /nfs/dbraw/zinc/72/99/78/1258729978.db2.gz CPPKFKKQWQDIRI-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CCc1nc(N2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)cc(C)[nH+]1 ZINC001090325872 1258775549 /nfs/dbraw/zinc/77/55/49/1258775549.db2.gz JYQMLSADBXCFHU-JKSUJKDBSA-N 2 2 361.490 0.963 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725422 1258817418 /nfs/dbraw/zinc/81/74/18/1258817418.db2.gz JVQZFBWRCDOUPK-QBPKDAKJSA-N 2 2 363.506 0.806 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725422 1258817425 /nfs/dbraw/zinc/81/74/25/1258817425.db2.gz JVQZFBWRCDOUPK-QBPKDAKJSA-N 2 2 363.506 0.806 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725422 1258817433 /nfs/dbraw/zinc/81/74/33/1258817433.db2.gz JVQZFBWRCDOUPK-QBPKDAKJSA-N 2 2 363.506 0.806 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725422 1258817440 /nfs/dbraw/zinc/81/74/40/1258817440.db2.gz JVQZFBWRCDOUPK-QBPKDAKJSA-N 2 2 363.506 0.806 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828019 1258858950 /nfs/dbraw/zinc/85/89/50/1258858950.db2.gz CWTLQVVRJBGNMA-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828019 1258858956 /nfs/dbraw/zinc/85/89/56/1258858956.db2.gz CWTLQVVRJBGNMA-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCc1ccco1 ZINC001100418609 1258911302 /nfs/dbraw/zinc/91/13/02/1258911302.db2.gz BSMPIWSGOWTRLB-BCAXMMLOSA-N 2 2 371.441 0.907 20 0 FCADLP O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCc1ccco1 ZINC001100418609 1258911309 /nfs/dbraw/zinc/91/13/09/1258911309.db2.gz BSMPIWSGOWTRLB-BCAXMMLOSA-N 2 2 371.441 0.907 20 0 FCADLP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440418 1258918868 /nfs/dbraw/zinc/91/88/68/1258918868.db2.gz FKIXJYJPESHEKR-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869760 1258982558 /nfs/dbraw/zinc/98/25/58/1258982558.db2.gz LFEJECDKPPNJCD-QLFBSQMISA-N 2 2 370.457 0.700 20 0 FCADLP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922855 1258996530 /nfs/dbraw/zinc/99/65/30/1258996530.db2.gz PISZGQUSMSGVJS-CZUORRHYSA-N 2 2 365.478 0.097 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001107045163 1259023603 /nfs/dbraw/zinc/02/36/03/1259023603.db2.gz YXRMHYQOUJPGDC-NXHRZFHOSA-N 2 2 364.490 0.377 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001107044464 1259023733 /nfs/dbraw/zinc/02/37/33/1259023733.db2.gz CAZZNNCFGLRYFY-KYJSFNMBSA-N 2 2 361.490 0.457 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851454 1259249443 /nfs/dbraw/zinc/24/94/43/1259249443.db2.gz NQQNHKFSWJRMQZ-OWCLPIDISA-N 2 2 368.457 0.090 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851454 1259249448 /nfs/dbraw/zinc/24/94/48/1259249448.db2.gz NQQNHKFSWJRMQZ-OWCLPIDISA-N 2 2 368.457 0.090 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851454 1259249453 /nfs/dbraw/zinc/24/94/53/1259249453.db2.gz NQQNHKFSWJRMQZ-OWCLPIDISA-N 2 2 368.457 0.090 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851454 1259249456 /nfs/dbraw/zinc/24/94/56/1259249456.db2.gz NQQNHKFSWJRMQZ-OWCLPIDISA-N 2 2 368.457 0.090 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128962271 1259275068 /nfs/dbraw/zinc/27/50/68/1259275068.db2.gz RJXRDCSBHPDTIL-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128962271 1259275072 /nfs/dbraw/zinc/27/50/72/1259275072.db2.gz RJXRDCSBHPDTIL-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129004579 1259288549 /nfs/dbraw/zinc/28/85/49/1259288549.db2.gz UPBAZUZNHXMFPV-KFWWJZLASA-N 2 2 361.450 0.022 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129004579 1259288555 /nfs/dbraw/zinc/28/85/55/1259288555.db2.gz UPBAZUZNHXMFPV-KFWWJZLASA-N 2 2 361.450 0.022 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043503 1259297960 /nfs/dbraw/zinc/29/79/60/1259297960.db2.gz RKADRKPDALQUTM-FGTMMUONSA-N 2 2 369.473 0.555 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)C1CC1 ZINC001129043503 1259297966 /nfs/dbraw/zinc/29/79/66/1259297966.db2.gz RKADRKPDALQUTM-FGTMMUONSA-N 2 2 369.473 0.555 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064945 1259302577 /nfs/dbraw/zinc/30/25/77/1259302577.db2.gz NWIUCRSLNMMPTR-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064945 1259302584 /nfs/dbraw/zinc/30/25/84/1259302584.db2.gz NWIUCRSLNMMPTR-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129078646 1259306528 /nfs/dbraw/zinc/30/65/28/1259306528.db2.gz CCPNONKBVDWURS-SJORKVTESA-N 2 2 369.429 0.846 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129078646 1259306533 /nfs/dbraw/zinc/30/65/33/1259306533.db2.gz CCPNONKBVDWURS-SJORKVTESA-N 2 2 369.429 0.846 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129228444 1259349333 /nfs/dbraw/zinc/34/93/33/1259349333.db2.gz SPOJOVNJDSRTOD-CABCVRRESA-N 2 2 361.450 0.376 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129228444 1259349340 /nfs/dbraw/zinc/34/93/40/1259349340.db2.gz SPOJOVNJDSRTOD-CABCVRRESA-N 2 2 361.450 0.376 20 0 FCADLP C[C@H]1C(=O)NN=C2COc3ccc(NC(=[NH2+])N4CC[NH+](C)CC4)cc3N21 ZINC001168741288 1259391150 /nfs/dbraw/zinc/39/11/50/1259391150.db2.gz VZWIGIDEARXBDL-NSHDSACASA-N 2 2 357.418 0.311 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407597 1259494122 /nfs/dbraw/zinc/49/41/22/1259494122.db2.gz BRPSDMZBCPSOAX-BZUAXINKSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407597 1259494126 /nfs/dbraw/zinc/49/41/26/1259494126.db2.gz BRPSDMZBCPSOAX-BZUAXINKSA-N 2 2 368.522 0.591 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410376 1259494958 /nfs/dbraw/zinc/49/49/58/1259494958.db2.gz RCAQKUVFGFQWAF-NUJGCVRESA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001212410376 1259494963 /nfs/dbraw/zinc/49/49/63/1259494963.db2.gz RCAQKUVFGFQWAF-NUJGCVRESA-N 2 2 362.474 0.746 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418822 1259499833 /nfs/dbraw/zinc/49/98/33/1259499833.db2.gz NGQLGQRTBWBLKB-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418822 1259499838 /nfs/dbraw/zinc/49/98/38/1259499838.db2.gz NGQLGQRTBWBLKB-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418822 1259499842 /nfs/dbraw/zinc/49/98/42/1259499842.db2.gz NGQLGQRTBWBLKB-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418822 1259499845 /nfs/dbraw/zinc/49/98/45/1259499845.db2.gz NGQLGQRTBWBLKB-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453212 1259512660 /nfs/dbraw/zinc/51/26/60/1259512660.db2.gz QALQITDTRUVCGV-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453212 1259512666 /nfs/dbraw/zinc/51/26/66/1259512666.db2.gz QALQITDTRUVCGV-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC001235482639 1259573397 /nfs/dbraw/zinc/57/33/97/1259573397.db2.gz FNWUMXWZJACOFY-QZTJIDSGSA-N 2 2 361.486 0.943 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)O1 ZINC001235484524 1259574188 /nfs/dbraw/zinc/57/41/88/1259574188.db2.gz CTUJPZDUGLATPH-WNRNVDISSA-N 2 2 374.485 0.759 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)O1 ZINC001235484524 1259574196 /nfs/dbraw/zinc/57/41/96/1259574196.db2.gz CTUJPZDUGLATPH-WNRNVDISSA-N 2 2 374.485 0.759 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001335328774 1259607811 /nfs/dbraw/zinc/60/78/11/1259607811.db2.gz VZOQRBKBVNSTES-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP Cc1ncncc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001238164486 1259619931 /nfs/dbraw/zinc/61/99/31/1259619931.db2.gz KYJGSVMWAXHELA-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP Cc1ncncc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001238164486 1259619944 /nfs/dbraw/zinc/61/99/44/1259619944.db2.gz KYJGSVMWAXHELA-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246190398 1259650612 /nfs/dbraw/zinc/65/06/12/1259650612.db2.gz CSUIBUKWMDHLJE-ROUUACIJSA-N 3 2 360.502 0.911 20 0 FCADLP CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001246525641 1259654353 /nfs/dbraw/zinc/65/43/53/1259654353.db2.gz RIGZJYCSLYQZIO-SJORKVTESA-N 2 2 362.474 0.271 20 0 FCADLP COC(=O)[C@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564949 1259655884 /nfs/dbraw/zinc/65/58/84/1259655884.db2.gz GVUNMFREISFZKF-YLFCFFPRSA-N 2 2 361.442 0.227 20 0 FCADLP COC(=O)[C@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564949 1259655894 /nfs/dbraw/zinc/65/58/94/1259655894.db2.gz GVUNMFREISFZKF-YLFCFFPRSA-N 2 2 361.442 0.227 20 0 FCADLP c1cncc(COCc2nnn3c2C[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246721234 1259668441 /nfs/dbraw/zinc/66/84/41/1259668441.db2.gz PVWILSCQHMPYTB-MRXNPFEDSA-N 2 2 369.473 0.300 20 0 FCADLP c1cncc(COCc2nnn3c2C[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246721234 1259668447 /nfs/dbraw/zinc/66/84/47/1259668447.db2.gz PVWILSCQHMPYTB-MRXNPFEDSA-N 2 2 369.473 0.300 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C1CC[NH2+]CC1)C2 ZINC001246732889 1259673448 /nfs/dbraw/zinc/67/34/48/1259673448.db2.gz SFRVXPDRJKZXDX-INIZCTEOSA-N 2 2 363.506 0.420 20 0 FCADLP c1ccc(N2CCOC3(CC[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)CC3)C2)[nH+]c1 ZINC001246739859 1259675289 /nfs/dbraw/zinc/67/52/89/1259675289.db2.gz RVLDXSNKDVMGBE-QGZVFWFLSA-N 3 2 357.502 0.847 20 0 FCADLP COC(=O)[C@@H]1C[C@H](n2nc(C(=O)NC3CCCC3)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246745046 1259677893 /nfs/dbraw/zinc/67/78/93/1259677893.db2.gz CVTICKGQJYVVRQ-JSGCOSHPSA-N 2 2 361.446 0.277 20 0 FCADLP COC(=O)C1C[C@@H]2CC([NH+]3CCC(N4CCC([NH3+])CC4)CC3)C[C@H](C1)[NH2+]2 ZINC001246969536 1259697482 /nfs/dbraw/zinc/69/74/82/1259697482.db2.gz QKVMKVGYUSANIM-WPUGQYJPSA-N 3 2 364.534 0.946 20 0 FCADLP CC(=O)c1cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)ccn1 ZINC001247335648 1259701471 /nfs/dbraw/zinc/70/14/71/1259701471.db2.gz RRFBQEZPIUJEIM-LBPRGKRZSA-N 2 2 355.358 0.244 20 0 FCADLP Cn1cc([C@@H]2CSCCN2C(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC001335621014 1259747835 /nfs/dbraw/zinc/74/78/35/1259747835.db2.gz CHKCASBELYPXLV-HNNXBMFYSA-N 2 2 352.508 0.643 20 0 FCADLP Oc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C(O)O)cc1 ZINC001252948056 1259813295 /nfs/dbraw/zinc/81/32/95/1259813295.db2.gz JAIRSILMQWQRTH-PZJWPPBQSA-N 2 2 372.465 0.841 20 0 FCADLP Oc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C(O)O)cc1 ZINC001252948056 1259813298 /nfs/dbraw/zinc/81/32/98/1259813298.db2.gz JAIRSILMQWQRTH-PZJWPPBQSA-N 2 2 372.465 0.841 20 0 FCADLP CCOC(=O)C[NH+]1CCC(n2nc(C(=O)OCC)c3c2CC[NH2+]C3)CC1 ZINC001254411128 1259882941 /nfs/dbraw/zinc/88/29/41/1259882941.db2.gz BDPZPANQABMAGV-UHFFFAOYSA-N 2 2 364.446 0.906 20 0 FCADLP CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)OCC2 ZINC001256066544 1259932749 /nfs/dbraw/zinc/93/27/49/1259932749.db2.gz HPVXJSLPOSQRSU-KRWDZBQOSA-N 2 2 361.490 0.802 20 0 FCADLP COC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001257568894 1260020832 /nfs/dbraw/zinc/02/08/32/1260020832.db2.gz JZOYBXGKAQPNGS-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001261320348 1260117069 /nfs/dbraw/zinc/11/70/69/1260117069.db2.gz ZZJMESQRUJCPTQ-UHFFFAOYSA-N 2 2 355.442 0.946 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCc2c[nH+]cn2C)CC1 ZINC001261906117 1260213922 /nfs/dbraw/zinc/21/39/22/1260213922.db2.gz LMVLBQHKWSHLER-UHFFFAOYSA-N 2 2 359.434 0.528 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC001336927556 1260256681 /nfs/dbraw/zinc/25/66/81/1260256681.db2.gz ZZMJSTINUNXXBP-INIZCTEOSA-N 2 2 354.495 0.685 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974514 1260272621 /nfs/dbraw/zinc/27/26/21/1260272621.db2.gz YUUUJLUBYPDQKW-YLJYHZDGSA-N 3 2 373.501 0.965 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974511 1260272854 /nfs/dbraw/zinc/27/28/54/1260272854.db2.gz YUUUJLUBYPDQKW-FXAWDEMLSA-N 3 2 373.501 0.965 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001336978331 1260274069 /nfs/dbraw/zinc/27/40/69/1260274069.db2.gz QVQGCJOPFNBQFS-BBWFWOEESA-N 2 2 354.495 0.635 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142030 1260321338 /nfs/dbraw/zinc/32/13/38/1260321338.db2.gz KNUHGKHGSSBVDH-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142030 1260321350 /nfs/dbraw/zinc/32/13/50/1260321350.db2.gz KNUHGKHGSSBVDH-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337602731 1260437897 /nfs/dbraw/zinc/43/78/97/1260437897.db2.gz ZLEIAVPOIXVVBO-QGZVFWFLSA-N 2 2 359.474 0.193 20 0 FCADLP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)CN4CC[NH+](C)CC4)C3)C2)n(C)n1 ZINC001272867560 1260520254 /nfs/dbraw/zinc/52/02/54/1260520254.db2.gz IKLGDGUZIFQCGU-UHFFFAOYSA-N 2 2 360.506 0.010 20 0 FCADLP Cc1cc(C[N@H+]2CCC3(CN(C(=O)CN4CC[NH+](C)CC4)C3)C2)n(C)n1 ZINC001272867560 1260520259 /nfs/dbraw/zinc/52/02/59/1260520259.db2.gz IKLGDGUZIFQCGU-UHFFFAOYSA-N 2 2 360.506 0.010 20 0 FCADLP CC(C)C[NH+]1CCN(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)CC1 ZINC001338061212 1260547320 /nfs/dbraw/zinc/54/73/20/1260547320.db2.gz RDPJHENRLDPVNJ-UHFFFAOYSA-N 2 2 363.510 0.290 20 0 FCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001273191832 1260620358 /nfs/dbraw/zinc/62/03/58/1260620358.db2.gz JEVGVGDRRXAUEM-JTDSTZFVSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)C1 ZINC001273217228 1260626204 /nfs/dbraw/zinc/62/62/04/1260626204.db2.gz LKGVFIUGYHLYRR-INIZCTEOSA-N 2 2 360.458 0.542 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)C1 ZINC001273217228 1260626212 /nfs/dbraw/zinc/62/62/12/1260626212.db2.gz LKGVFIUGYHLYRR-INIZCTEOSA-N 2 2 360.458 0.542 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732482 1260665090 /nfs/dbraw/zinc/66/50/90/1260665090.db2.gz DFOKKPCIWFOIGL-SGTLLEGYSA-N 2 2 362.430 0.868 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732482 1260665095 /nfs/dbraw/zinc/66/50/95/1260665095.db2.gz DFOKKPCIWFOIGL-SGTLLEGYSA-N 2 2 362.430 0.868 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001278185199 1260686790 /nfs/dbraw/zinc/68/67/90/1260686790.db2.gz ZEANRURYPJGSQA-QRVBRYPASA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001278185199 1260686794 /nfs/dbraw/zinc/68/67/94/1260686794.db2.gz ZEANRURYPJGSQA-QRVBRYPASA-N 2 2 361.490 0.527 20 0 FCADLP c1cn(CCN2CCO[C@]3(CCC[N@H+](CCN4CCOCC4)C3)C2)c[nH+]1 ZINC001279245922 1260809384 /nfs/dbraw/zinc/80/93/84/1260809384.db2.gz IVJGMSJMARAQQY-IBGZPJMESA-N 2 2 363.506 0.382 20 0 FCADLP c1cn(CCN2CCO[C@]3(CCC[N@@H+](CCN4CCOCC4)C3)C2)c[nH+]1 ZINC001279245922 1260809394 /nfs/dbraw/zinc/80/93/94/1260809394.db2.gz IVJGMSJMARAQQY-IBGZPJMESA-N 2 2 363.506 0.382 20 0 FCADLP Nc1ncc(C[N@@H+]2CC[C@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H]32)cn1 ZINC001279527854 1260884774 /nfs/dbraw/zinc/88/47/74/1260884774.db2.gz ZXXYBMQFFZHYSV-GVDBMIGSSA-N 2 2 356.474 0.576 20 0 FCADLP Nc1ncc(C[N@H+]2CC[C@H]3CN(C(=O)[C@H]4CC5CC[NH+]4CC5)C[C@H]32)cn1 ZINC001279527854 1260884777 /nfs/dbraw/zinc/88/47/77/1260884777.db2.gz ZXXYBMQFFZHYSV-GVDBMIGSSA-N 2 2 356.474 0.576 20 0 FCADLP O=C([C@H]1CC12C[NH+](CCC[NH+]1CCCCC1)C2)N1CCn2cnnc2C1 ZINC001279844949 1260941711 /nfs/dbraw/zinc/94/17/11/1260941711.db2.gz YYSVFJJEABCQEM-MRXNPFEDSA-N 2 2 358.490 0.818 20 0 FCADLP COC(=O)CCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279886201 1260951382 /nfs/dbraw/zinc/95/13/82/1260951382.db2.gz YMMUTDSQMILKPD-KBXCAEBGSA-N 2 2 363.462 0.801 20 0 FCADLP COC(=O)CCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279886201 1260951387 /nfs/dbraw/zinc/95/13/87/1260951387.db2.gz YMMUTDSQMILKPD-KBXCAEBGSA-N 2 2 363.462 0.801 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCCC3(CN(C(=O)Cn4cccnc4=O)C3)C2)CC1 ZINC001280069835 1260989288 /nfs/dbraw/zinc/98/92/88/1260989288.db2.gz BAXNDTVOWVLDCA-UHFFFAOYSA-N 2 2 359.474 0.262 20 0 FCADLP C[NH+]1CCC([N@H+]2CCCC3(CN(C(=O)Cn4cccnc4=O)C3)C2)CC1 ZINC001280069835 1260989293 /nfs/dbraw/zinc/98/92/93/1260989293.db2.gz BAXNDTVOWVLDCA-UHFFFAOYSA-N 2 2 359.474 0.262 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280073294 1260990827 /nfs/dbraw/zinc/99/08/27/1260990827.db2.gz AKGHDNALLHPJNG-FQEVSTJZSA-N 3 2 365.566 0.500 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280073294 1260990831 /nfs/dbraw/zinc/99/08/31/1260990831.db2.gz AKGHDNALLHPJNG-FQEVSTJZSA-N 3 2 365.566 0.500 20 0 FCADLP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001280188942 1261026258 /nfs/dbraw/zinc/02/62/58/1261026258.db2.gz MHXXODBIMCJFNR-OAHLLOKOSA-N 2 2 356.470 0.934 20 0 FCADLP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001280188942 1261026261 /nfs/dbraw/zinc/02/62/61/1261026261.db2.gz MHXXODBIMCJFNR-OAHLLOKOSA-N 2 2 356.470 0.934 20 0 FCADLP Cc1coc(CC(=O)NCC[NH+]2CC=CC2)c1C(=O)NCC[NH+]1CC=CC1 ZINC001332355306 1266384577 /nfs/dbraw/zinc/38/45/77/1266384577.db2.gz VFWDHFNZMSZOTC-UHFFFAOYSA-N 2 2 372.469 0.720 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001283936230 1261718995 /nfs/dbraw/zinc/71/89/95/1261718995.db2.gz CHPTUZVRVWASIU-BZUAXINKSA-N 2 2 370.457 0.740 20 0 FCADLP Cc1cc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)[nH+]1 ZINC001285437294 1261839674 /nfs/dbraw/zinc/83/96/74/1261839674.db2.gz LZYOFLCCIMVWCP-BZUAXINKSA-N 2 2 362.474 0.554 20 0 FCADLP Cc1cc(C)c(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)[nH+]1 ZINC001285437294 1261839679 /nfs/dbraw/zinc/83/96/79/1261839679.db2.gz LZYOFLCCIMVWCP-BZUAXINKSA-N 2 2 362.474 0.554 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001285507439 1261849592 /nfs/dbraw/zinc/84/95/92/1261849592.db2.gz TVYPPQNLIZIQKW-GDBMZVCRSA-N 2 2 363.506 0.904 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC(C)(C)CNC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001285507439 1261849594 /nfs/dbraw/zinc/84/95/94/1261849594.db2.gz TVYPPQNLIZIQKW-GDBMZVCRSA-N 2 2 363.506 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580320699 1278120206 /nfs/dbraw/zinc/12/02/06/1278120206.db2.gz FMIBSYHSRPXUHK-DAXOMENPSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580320699 1278120209 /nfs/dbraw/zinc/12/02/09/1278120209.db2.gz FMIBSYHSRPXUHK-DAXOMENPSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001580354637 1278157931 /nfs/dbraw/zinc/15/79/31/1278157931.db2.gz JYXNNNVCBHZPNB-XNRPHZJLSA-N 2 2 370.461 0.687 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001580354637 1278157933 /nfs/dbraw/zinc/15/79/33/1278157933.db2.gz JYXNNNVCBHZPNB-XNRPHZJLSA-N 2 2 370.461 0.687 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC001296458835 1262813327 /nfs/dbraw/zinc/81/33/27/1262813327.db2.gz RVULQZWZTZANEN-DJIMGWMZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC001296458835 1262813337 /nfs/dbraw/zinc/81/33/37/1262813337.db2.gz RVULQZWZTZANEN-DJIMGWMZSA-N 2 2 361.490 0.800 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926512 1263112419 /nfs/dbraw/zinc/11/24/19/1263112419.db2.gz IFLYANOYELPBKB-YQQAZPJKSA-N 2 2 354.495 0.506 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926512 1263112424 /nfs/dbraw/zinc/11/24/24/1263112424.db2.gz IFLYANOYELPBKB-YQQAZPJKSA-N 2 2 354.495 0.506 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3nccn(C)c3=O)CC2)CC1 ZINC001310494673 1263235979 /nfs/dbraw/zinc/23/59/79/1263235979.db2.gz UUESHHFIWXWMKW-UHFFFAOYSA-N 2 2 362.478 0.804 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3nccn(C)c3=O)CC2)CC1 ZINC001310494673 1263235987 /nfs/dbraw/zinc/23/59/87/1263235987.db2.gz UUESHHFIWXWMKW-UHFFFAOYSA-N 2 2 362.478 0.804 20 0 FCADLP C[C@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001319886447 1263739893 /nfs/dbraw/zinc/73/98/93/1263739893.db2.gz VFBQIRZGYFSZCF-FVQBIDKESA-N 2 2 361.490 0.958 20 0 FCADLP C[C@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001319886447 1263739901 /nfs/dbraw/zinc/73/99/01/1263739901.db2.gz VFBQIRZGYFSZCF-FVQBIDKESA-N 2 2 361.490 0.958 20 0 FCADLP COC(=O)c1cnc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001319927049 1263743568 /nfs/dbraw/zinc/74/35/68/1263743568.db2.gz GQPVUTPRSDPLHE-UHFFFAOYSA-N 2 2 361.446 0.552 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001495743007 1263838196 /nfs/dbraw/zinc/83/81/96/1263838196.db2.gz XIBLVZOJKYZTMI-BPLDGKMQSA-N 2 2 359.478 0.986 20 0 FCADLP CN(CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1)C(=O)CCC[NH+](C)C ZINC001497848923 1263954454 /nfs/dbraw/zinc/95/44/54/1263954454.db2.gz VGEWKXXERDQBJR-ZWKOTPCHSA-N 2 2 364.534 0.977 20 0 FCADLP O=C(NC1CC1)[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440478 1263962833 /nfs/dbraw/zinc/96/28/33/1263962833.db2.gz NKSJWMWBIKSOHM-KUHUBIRLSA-N 2 2 362.474 0.851 20 0 FCADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440478 1263962842 /nfs/dbraw/zinc/96/28/42/1263962842.db2.gz NKSJWMWBIKSOHM-KUHUBIRLSA-N 2 2 362.474 0.851 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC001321632933 1264017209 /nfs/dbraw/zinc/01/72/09/1264017209.db2.gz UNNAAQUGWVCGJV-HNNXBMFYSA-N 2 2 373.501 0.944 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCOC3)CC2)CC1 ZINC001322012202 1264130711 /nfs/dbraw/zinc/13/07/11/1264130711.db2.gz YUKGDDRYFWRZKK-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001322774289 1264260670 /nfs/dbraw/zinc/26/06/70/1264260670.db2.gz RMPKPJQKLMJDSP-IRXDYDNUSA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001322774289 1264260677 /nfs/dbraw/zinc/26/06/77/1264260677.db2.gz RMPKPJQKLMJDSP-IRXDYDNUSA-N 2 2 373.501 0.802 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC[N@@H+]1C ZINC001506130726 1264297029 /nfs/dbraw/zinc/29/70/29/1264297029.db2.gz IRVNPBCZAIZMIJ-RBSFLKMASA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC[N@H+]1C ZINC001506130726 1264297034 /nfs/dbraw/zinc/29/70/34/1264297034.db2.gz IRVNPBCZAIZMIJ-RBSFLKMASA-N 2 2 359.474 0.551 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322956305 1264302727 /nfs/dbraw/zinc/30/27/27/1264302727.db2.gz JFOKMEOTRSFXPR-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322956305 1264302741 /nfs/dbraw/zinc/30/27/41/1264302741.db2.gz JFOKMEOTRSFXPR-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001323398765 1264421142 /nfs/dbraw/zinc/42/11/42/1264421142.db2.gz CIJRXZLQOSBHNT-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001323739286 1264498394 /nfs/dbraw/zinc/49/83/94/1264498394.db2.gz DYHIEELGRCPIFJ-UHFFFAOYSA-N 2 2 354.458 0.959 20 0 FCADLP C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001323739286 1264498399 /nfs/dbraw/zinc/49/83/99/1264498399.db2.gz DYHIEELGRCPIFJ-UHFFFAOYSA-N 2 2 354.458 0.959 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001324209430 1264596585 /nfs/dbraw/zinc/59/65/85/1264596585.db2.gz VKGPTRCYYGFTOO-UHFFFAOYSA-N 2 2 366.425 0.869 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C4CCCC4)C3)C2)CC1 ZINC001324608934 1264678411 /nfs/dbraw/zinc/67/84/11/1264678411.db2.gz USEQAVORVSFRPJ-QGZVFWFLSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC(C4CCCC4)C3)C2)CC1 ZINC001324608934 1264678418 /nfs/dbraw/zinc/67/84/18/1264678418.db2.gz USEQAVORVSFRPJ-QGZVFWFLSA-N 2 2 362.518 0.920 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC001325071339 1264766531 /nfs/dbraw/zinc/76/65/31/1264766531.db2.gz JCJSRKVJIFRCPH-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)CC[N@H+](C)C1 ZINC001325277125 1264832066 /nfs/dbraw/zinc/83/20/66/1264832066.db2.gz GJLJFGUPXPATFU-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)CC[N@@H+](C)C1 ZINC001325277125 1264832071 /nfs/dbraw/zinc/83/20/71/1264832071.db2.gz GJLJFGUPXPATFU-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277125 1264832076 /nfs/dbraw/zinc/83/20/76/1264832076.db2.gz GJLJFGUPXPATFU-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277125 1264832085 /nfs/dbraw/zinc/83/20/85/1264832085.db2.gz GJLJFGUPXPATFU-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP CN(C(=O)NCc1cc(C(N)=O)no1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325721477 1264978883 /nfs/dbraw/zinc/97/88/83/1264978883.db2.gz FDYRRBCICHMAIO-ZDUSSCGKSA-N 2 2 364.450 0.083 20 0 FCADLP CN(C(=O)NCc1cc(C(N)=O)no1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325721477 1264978893 /nfs/dbraw/zinc/97/88/93/1264978893.db2.gz FDYRRBCICHMAIO-ZDUSSCGKSA-N 2 2 364.450 0.083 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001326590995 1265138100 /nfs/dbraw/zinc/13/81/00/1265138100.db2.gz NQHDOMYKIUVOGV-BZUAXINKSA-N 2 2 359.474 0.766 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001326702695 1265154439 /nfs/dbraw/zinc/15/44/39/1265154439.db2.gz RPSZNMAXFXOGKV-BQFCYCMXSA-N 2 2 362.518 0.824 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001326702695 1265154446 /nfs/dbraw/zinc/15/44/46/1265154446.db2.gz RPSZNMAXFXOGKV-BQFCYCMXSA-N 2 2 362.518 0.824 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cn1 ZINC001526810337 1266843743 /nfs/dbraw/zinc/84/37/43/1266843743.db2.gz ZUWIAKJQPLCNGV-UHFFFAOYSA-N 2 2 352.439 0.015 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cn1 ZINC001526810337 1266843759 /nfs/dbraw/zinc/84/37/59/1266843759.db2.gz ZUWIAKJQPLCNGV-UHFFFAOYSA-N 2 2 352.439 0.015 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001530657071 1267111555 /nfs/dbraw/zinc/11/15/55/1267111555.db2.gz ZNQQBQIBRHMSSR-RBSFLKMASA-N 2 2 365.453 0.531 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001334855533 1267203728 /nfs/dbraw/zinc/20/37/28/1267203728.db2.gz QAKCWQLKNWTNTA-CQSZACIVSA-N 2 2 368.441 0.554 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(C[NH+](C)C)on2)c1 ZINC001335208908 1267405766 /nfs/dbraw/zinc/40/57/66/1267405766.db2.gz HEORSKCRTWTQFI-UHFFFAOYSA-N 2 2 373.457 0.958 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001549153271 1267830298 /nfs/dbraw/zinc/83/02/98/1267830298.db2.gz MLRLNNMUZZWRPR-JKIFEVAISA-N 2 2 360.462 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001549153271 1267830307 /nfs/dbraw/zinc/83/03/07/1267830307.db2.gz MLRLNNMUZZWRPR-JKIFEVAISA-N 2 2 360.462 0.620 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549153321 1267830647 /nfs/dbraw/zinc/83/06/47/1267830647.db2.gz NOUBBXOAUJWCJK-VWPFQQQWSA-N 2 2 360.462 0.618 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549153321 1267830662 /nfs/dbraw/zinc/83/06/62/1267830662.db2.gz NOUBBXOAUJWCJK-VWPFQQQWSA-N 2 2 360.462 0.618 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549155249 1267832556 /nfs/dbraw/zinc/83/25/56/1267832556.db2.gz KXLJHSMHYXLTJP-CPUCHLNUSA-N 2 2 362.478 0.913 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549158215 1267836950 /nfs/dbraw/zinc/83/69/50/1267836950.db2.gz GYPICVRHXMRPKJ-CPUCHLNUSA-N 2 2 362.478 0.913 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549162447 1267841734 /nfs/dbraw/zinc/84/17/34/1267841734.db2.gz NVGFGJUOCWMLKN-JKIFEVAISA-N 2 2 362.478 0.913 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549162447 1267841744 /nfs/dbraw/zinc/84/17/44/1267841744.db2.gz NVGFGJUOCWMLKN-JKIFEVAISA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001549176368 1267853105 /nfs/dbraw/zinc/85/31/05/1267853105.db2.gz CZXASGSXJIFIIJ-XCRHUMRWSA-N 2 2 360.462 0.525 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001549176606 1267853480 /nfs/dbraw/zinc/85/34/80/1267853480.db2.gz PLKBYPDKPBMUST-YOEHRIQHSA-N 2 2 374.489 0.915 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC001338356603 1267918714 /nfs/dbraw/zinc/91/87/14/1267918714.db2.gz VBFMJWVQKNNBIW-JKSUJKDBSA-N 2 2 361.490 0.850 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549493000 1267925522 /nfs/dbraw/zinc/92/55/22/1267925522.db2.gz MWMCFEBIYRQVIC-MSOLQXFVSA-N 2 2 364.534 0.774 20 0 FCADLP C[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894675 1268015213 /nfs/dbraw/zinc/01/52/13/1268015213.db2.gz GUNKHCDNXWVYBK-MSOLQXFVSA-N 2 2 356.470 0.636 20 0 FCADLP C[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894675 1268015228 /nfs/dbraw/zinc/01/52/28/1268015228.db2.gz GUNKHCDNXWVYBK-MSOLQXFVSA-N 2 2 356.470 0.636 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894735 1268015894 /nfs/dbraw/zinc/01/58/94/1268015894.db2.gz ORFOXTHOMHCTBH-BPQIPLTHSA-N 2 2 371.485 0.592 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894735 1268015910 /nfs/dbraw/zinc/01/59/10/1268015910.db2.gz ORFOXTHOMHCTBH-BPQIPLTHSA-N 2 2 371.485 0.592 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001550000963 1268042218 /nfs/dbraw/zinc/04/22/18/1268042218.db2.gz JASVXEWNCCLSAQ-RDGPPVDQSA-N 2 2 366.550 0.969 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001550000963 1268042232 /nfs/dbraw/zinc/04/22/32/1268042232.db2.gz JASVXEWNCCLSAQ-RDGPPVDQSA-N 2 2 366.550 0.969 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC001550007688 1268044372 /nfs/dbraw/zinc/04/43/72/1268044372.db2.gz KWYYKOUWYRCEET-MOPGFXCFSA-N 2 2 366.550 0.972 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001550854388 1268175214 /nfs/dbraw/zinc/17/52/14/1268175214.db2.gz SVRFFYXDJDTRKX-IRXDYDNUSA-N 2 2 351.491 0.450 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@@]3(c3nnc(C)o3)C2)CC1 ZINC001551007407 1268192037 /nfs/dbraw/zinc/19/20/37/1268192037.db2.gz IZFSFVHGMCLZEF-JOQOYGCGSA-N 2 2 363.462 0.130 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3COC[C@@]3(c3nnc(C)o3)C2)CC1 ZINC001551007407 1268192042 /nfs/dbraw/zinc/19/20/42/1268192042.db2.gz IZFSFVHGMCLZEF-JOQOYGCGSA-N 2 2 363.462 0.130 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498719 1268261757 /nfs/dbraw/zinc/26/17/57/1268261757.db2.gz QLLANVKYDROYSI-IDHHARJASA-N 2 2 360.458 0.872 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498719 1268261763 /nfs/dbraw/zinc/26/17/63/1268261763.db2.gz QLLANVKYDROYSI-IDHHARJASA-N 2 2 360.458 0.872 20 0 FCADLP C[C@H](CNC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[NH+]1CCOCC1 ZINC001551565451 1268272707 /nfs/dbraw/zinc/27/27/07/1268272707.db2.gz OGWLKXSIYNMRMW-XBFCOCLRSA-N 2 2 350.385 0.548 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551932654 1268313874 /nfs/dbraw/zinc/31/38/74/1268313874.db2.gz AYSFWWUOHXXFQY-HUUCEWRRSA-N 2 2 374.489 0.348 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551932654 1268313882 /nfs/dbraw/zinc/31/38/82/1268313882.db2.gz AYSFWWUOHXXFQY-HUUCEWRRSA-N 2 2 374.489 0.348 20 0 FCADLP CO[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551932653 1268314008 /nfs/dbraw/zinc/31/40/08/1268314008.db2.gz AYSFWWUOHXXFQY-CABCVRRESA-N 2 2 374.489 0.348 20 0 FCADLP CO[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551932653 1268314022 /nfs/dbraw/zinc/31/40/22/1268314022.db2.gz AYSFWWUOHXXFQY-CABCVRRESA-N 2 2 374.489 0.348 20 0 FCADLP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001339791624 1268331056 /nfs/dbraw/zinc/33/10/56/1268331056.db2.gz ZDSHIDPQHXETFA-HNNXBMFYSA-N 2 2 374.420 0.762 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cnn1C ZINC001552089403 1268368895 /nfs/dbraw/zinc/36/88/95/1268368895.db2.gz MXVWOUFIEHVBRK-IRXDYDNUSA-N 2 2 369.473 0.479 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC001552203543 1268409520 /nfs/dbraw/zinc/40/95/20/1268409520.db2.gz RFXRLFCEBVAAMQ-FXAWDEMLSA-N 2 2 372.469 0.525 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001552365875 1268449691 /nfs/dbraw/zinc/44/96/91/1268449691.db2.gz FXNKESJCABUCQY-BLLLJJGKSA-N 2 2 374.449 0.320 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001552370050 1268453934 /nfs/dbraw/zinc/45/39/34/1268453934.db2.gz VTGTZLYFHLPORJ-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001552370050 1268453939 /nfs/dbraw/zinc/45/39/39/1268453939.db2.gz VTGTZLYFHLPORJ-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552438636 1268464745 /nfs/dbraw/zinc/46/47/45/1268464745.db2.gz PTDCUVXTSXSMFC-KLHDSHLOSA-N 2 2 364.494 0.820 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580501132 1278412094 /nfs/dbraw/zinc/41/20/94/1278412094.db2.gz JKAMBHHRRJCUGO-NSHDSACASA-N 2 2 354.418 0.735 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580501649 1278413515 /nfs/dbraw/zinc/41/35/15/1278413515.db2.gz LTSGQPKCHFZHHR-NSHDSACASA-N 2 2 354.418 0.735 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001552712054 1268530664 /nfs/dbraw/zinc/53/06/64/1268530664.db2.gz DUPCRJYSXRMOSO-MSOLQXFVSA-N 2 2 369.469 0.773 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001552712054 1268530667 /nfs/dbraw/zinc/53/06/67/1268530667.db2.gz DUPCRJYSXRMOSO-MSOLQXFVSA-N 2 2 369.469 0.773 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723229 1268536122 /nfs/dbraw/zinc/53/61/22/1268536122.db2.gz VZPGXHUZXAPZIU-WMZOPIPTSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723229 1268536131 /nfs/dbraw/zinc/53/61/31/1268536131.db2.gz VZPGXHUZXAPZIU-WMZOPIPTSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001552723229 1268536140 /nfs/dbraw/zinc/53/61/40/1268536140.db2.gz VZPGXHUZXAPZIU-WMZOPIPTSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001552723229 1268536144 /nfs/dbraw/zinc/53/61/44/1268536144.db2.gz VZPGXHUZXAPZIU-WMZOPIPTSA-N 2 2 369.469 0.903 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@]3(O)CCC[NH2+]C3)c2)CC1 ZINC001340399531 1268536159 /nfs/dbraw/zinc/53/61/59/1268536159.db2.gz LROHEQOPRWXLEN-HXUWFJFHSA-N 2 2 374.485 0.794 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793437 1268547448 /nfs/dbraw/zinc/54/74/48/1268547448.db2.gz REXXTQSBJJFBNL-ZWKOTPCHSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793437 1268547455 /nfs/dbraw/zinc/54/74/55/1268547455.db2.gz REXXTQSBJJFBNL-ZWKOTPCHSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793437 1268547458 /nfs/dbraw/zinc/54/74/58/1268547458.db2.gz REXXTQSBJJFBNL-ZWKOTPCHSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793437 1268547467 /nfs/dbraw/zinc/54/74/67/1268547467.db2.gz REXXTQSBJJFBNL-ZWKOTPCHSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC001552912140 1268565365 /nfs/dbraw/zinc/56/53/65/1268565365.db2.gz YRBZRHBLAWVOTQ-HZPDHXFCSA-N 2 2 361.490 0.672 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553450020 1268651546 /nfs/dbraw/zinc/65/15/46/1268651546.db2.gz NWRBSVXXIGMYBZ-CQSZACIVSA-N 2 2 358.508 0.018 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001340776583 1268653673 /nfs/dbraw/zinc/65/36/73/1268653673.db2.gz KZVVCSQZDBEDRC-DZGCQCFKSA-N 2 2 361.446 0.956 20 0 FCADLP O=C(NC[C@@]12CCC[C@H]1[NH2+]CC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553529263 1268664446 /nfs/dbraw/zinc/66/44/46/1268664446.db2.gz JSOLGYRTDGBYJU-MJGOQNOKSA-N 2 2 358.490 0.879 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001340803985 1268664751 /nfs/dbraw/zinc/66/47/51/1268664751.db2.gz YHNNNEPTFJBMLA-GJZGRUSLSA-N 2 2 365.478 0.028 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001341152316 1268814251 /nfs/dbraw/zinc/81/42/51/1268814251.db2.gz XGNVWYFTUISJHC-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341952615 1269277566 /nfs/dbraw/zinc/27/75/66/1269277566.db2.gz VJEQXBQUTYFSJI-UHFFFAOYSA-N 2 2 359.474 0.185 20 0 FCADLP CN(C(=O)[C@@H]1CCC=CO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595593 1269480650 /nfs/dbraw/zinc/48/06/50/1269480650.db2.gz SHZOVJFQRKHVML-KRWDZBQOSA-N 2 2 364.490 0.376 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C(=O)NC1CC1 ZINC001565874879 1269498437 /nfs/dbraw/zinc/49/84/37/1269498437.db2.gz YVLRXOVZFUVFFK-RHMLRGBNSA-N 2 2 359.474 0.675 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)CCC[NH+](C)C ZINC001344181915 1270109473 /nfs/dbraw/zinc/10/94/73/1270109473.db2.gz WEXSFSKTPLZOKB-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574671438 1271472972 /nfs/dbraw/zinc/47/29/72/1271472972.db2.gz OAVPSJXOTOBPLH-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574671438 1271472975 /nfs/dbraw/zinc/47/29/75/1271472975.db2.gz OAVPSJXOTOBPLH-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574876404 1271634516 /nfs/dbraw/zinc/63/45/16/1271634516.db2.gz JEHDBRICFMYDCG-NEPJUHHUSA-N 2 2 367.417 0.059 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(N3CC[C@H]([NH3+])C3)nnc2C(C)(C)C)CC1 ZINC001574993501 1271688666 /nfs/dbraw/zinc/68/86/66/1271688666.db2.gz ZALMTMLGRQHKKU-HNNXBMFYSA-N 2 2 363.510 0.277 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001575060083 1271704413 /nfs/dbraw/zinc/70/44/13/1271704413.db2.gz SCWDERRQZNLDTC-APWZRJJASA-N 2 2 359.474 0.183 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC3C[NH2+]C3)C2)CC1 ZINC001575196782 1271781303 /nfs/dbraw/zinc/78/13/03/1271781303.db2.gz ZGRZBKUOVJXFPP-CQSZACIVSA-N 2 2 353.467 0.295 20 0 FCADLP C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001575380881 1272023313 /nfs/dbraw/zinc/02/33/13/1272023313.db2.gz YCUFHCIXBLWIJQ-NEPJUHHUSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575382345 1272023956 /nfs/dbraw/zinc/02/39/56/1272023956.db2.gz AZGOQHZHYWVDRB-GHMZBOCLSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575388800 1272035765 /nfs/dbraw/zinc/03/57/65/1272035765.db2.gz RADDIMIZOCYILB-WDEREUQCSA-N 2 2 360.447 0.808 20 0 FCADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001575619069 1272238074 /nfs/dbraw/zinc/23/80/74/1272238074.db2.gz TYJHSVSMBMTZEE-KBXCAEBGSA-N 2 2 357.495 0.779 20 0 FCADLP CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001575728592 1272393793 /nfs/dbraw/zinc/39/37/93/1272393793.db2.gz KKVZKRBLNRNYFD-OAHLLOKOSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001576029631 1272735991 /nfs/dbraw/zinc/73/59/91/1272735991.db2.gz OYUVNLZZJKYYER-CYBMUJFWSA-N 2 2 357.499 0.964 20 0 FCADLP C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576065298 1272818964 /nfs/dbraw/zinc/81/89/64/1272818964.db2.gz LCTUMLITLKAQOE-OWCLPIDISA-N 2 2 364.494 0.430 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125007 1272921202 /nfs/dbraw/zinc/92/12/02/1272921202.db2.gz RNLVNMFPZFSXDY-YJBOKZPZSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125007 1272921215 /nfs/dbraw/zinc/92/12/15/1272921215.db2.gz RNLVNMFPZFSXDY-YJBOKZPZSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125007 1272921219 /nfs/dbraw/zinc/92/12/19/1272921219.db2.gz RNLVNMFPZFSXDY-YJBOKZPZSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]2(CC[N@@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125007 1272921228 /nfs/dbraw/zinc/92/12/28/1272921228.db2.gz RNLVNMFPZFSXDY-YJBOKZPZSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576270201 1273068121 /nfs/dbraw/zinc/06/81/21/1273068121.db2.gz FLARLHBEPXEGMO-IUODEOHRSA-N 2 2 366.429 0.769 20 0 FCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576506099 1273375281 /nfs/dbraw/zinc/37/52/81/1273375281.db2.gz NPQNIWSXMDCGDQ-OAHLLOKOSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576506099 1273375290 /nfs/dbraw/zinc/37/52/90/1273375290.db2.gz NPQNIWSXMDCGDQ-OAHLLOKOSA-N 2 2 363.441 0.894 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557672 1273437065 /nfs/dbraw/zinc/43/70/65/1273437065.db2.gz SOYFGZFDMXUSJB-QGZVFWFLSA-N 2 2 364.494 0.464 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557672 1273437067 /nfs/dbraw/zinc/43/70/67/1273437067.db2.gz SOYFGZFDMXUSJB-QGZVFWFLSA-N 2 2 364.494 0.464 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@H+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557672 1273437071 /nfs/dbraw/zinc/43/70/71/1273437071.db2.gz SOYFGZFDMXUSJB-QGZVFWFLSA-N 2 2 364.494 0.464 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)Cc2cnn[nH]2)CC1 ZINC001576557672 1273437073 /nfs/dbraw/zinc/43/70/73/1273437073.db2.gz SOYFGZFDMXUSJB-QGZVFWFLSA-N 2 2 364.494 0.464 20 0 FCADLP CC[C@H](C)C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576583114 1273462779 /nfs/dbraw/zinc/46/27/79/1273462779.db2.gz CKKNWHKOIVPQCE-ZDUSSCGKSA-N 2 2 372.477 0.722 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N2CC[C@](C)(C[NH2+]Cc3c[nH]nn3)C2)n1 ZINC001576749256 1273620164 /nfs/dbraw/zinc/62/01/64/1273620164.db2.gz BRDCBJQINXNVSG-QGZVFWFLSA-N 2 2 360.466 0.205 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CC[C@@](C)(C[NH2+]Cc3c[nH]nn3)C2)cn1 ZINC001576749272 1273620673 /nfs/dbraw/zinc/62/06/73/1273620673.db2.gz CKSQTLQLNJWSDL-KRWDZBQOSA-N 2 2 360.466 0.205 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCOCC2)cc1 ZINC001576750467 1273621870 /nfs/dbraw/zinc/62/18/70/1273621870.db2.gz QIBZTPYRRXKZMM-UHFFFAOYSA-N 2 2 372.473 0.935 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCOCC2)cc1 ZINC001576750467 1273621875 /nfs/dbraw/zinc/62/18/75/1273621875.db2.gz QIBZTPYRRXKZMM-UHFFFAOYSA-N 2 2 372.473 0.935 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3c[nH]nn3)C2)CC1 ZINC001576752058 1273623133 /nfs/dbraw/zinc/62/31/33/1273623133.db2.gz ONCJVWXVBWQKEH-MRXNPFEDSA-N 2 2 364.494 0.634 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CO[C@@H](C[NH2+]Cc3cn[nH]n3)C2)CC1 ZINC001576752058 1273623139 /nfs/dbraw/zinc/62/31/39/1273623139.db2.gz ONCJVWXVBWQKEH-MRXNPFEDSA-N 2 2 364.494 0.634 20 0 FCADLP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791626 1273689823 /nfs/dbraw/zinc/68/98/23/1273689823.db2.gz PWPZNBDFHZSKBH-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791626 1273689835 /nfs/dbraw/zinc/68/98/35/1273689835.db2.gz PWPZNBDFHZSKBH-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576804464 1273711285 /nfs/dbraw/zinc/71/12/85/1273711285.db2.gz SUANKJHQZPSGAF-QWHCGFSZSA-N 2 2 369.433 0.838 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576835855 1273766664 /nfs/dbraw/zinc/76/66/64/1273766664.db2.gz SZCCSFOMXSUSLS-CQSZACIVSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1[NH3+] ZINC001576837809 1273773545 /nfs/dbraw/zinc/77/35/45/1273773545.db2.gz LXTNRKRUYZQQGJ-FPCVCCKLSA-N 2 2 364.494 0.286 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1[NH3+] ZINC001576837809 1273773551 /nfs/dbraw/zinc/77/35/51/1273773551.db2.gz LXTNRKRUYZQQGJ-FPCVCCKLSA-N 2 2 364.494 0.286 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001576860268 1273820743 /nfs/dbraw/zinc/82/07/43/1273820743.db2.gz HUBFUMAFQNNCGT-XOKHGSTOSA-N 2 2 350.438 0.983 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001576860268 1273820747 /nfs/dbraw/zinc/82/07/47/1273820747.db2.gz HUBFUMAFQNNCGT-XOKHGSTOSA-N 2 2 350.438 0.983 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576860017 1273821974 /nfs/dbraw/zinc/82/19/74/1273821974.db2.gz DRQTUELVJVGNDO-ARFHVFGLSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576860017 1273821981 /nfs/dbraw/zinc/82/19/81/1273821981.db2.gz DRQTUELVJVGNDO-ARFHVFGLSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@@H]1CCOC1 ZINC001576860747 1273823226 /nfs/dbraw/zinc/82/32/26/1273823226.db2.gz LIBSRZZFXRRFJI-CAOSSQGBSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@@H]1CCOC1 ZINC001576860747 1273823235 /nfs/dbraw/zinc/82/32/35/1273823235.db2.gz LIBSRZZFXRRFJI-CAOSSQGBSA-N 2 2 364.494 0.429 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(CC[NH2+]CCc3cn[nH]n3)cc2)C1 ZINC001576888323 1273880130 /nfs/dbraw/zinc/88/01/30/1273880130.db2.gz BNIUPPNPCNKNPX-SFHVURJKSA-N 2 2 372.473 0.126 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(CC[NH2+]CCc3cn[nH]n3)cc2)C1 ZINC001576888323 1273880141 /nfs/dbraw/zinc/88/01/41/1273880141.db2.gz BNIUPPNPCNKNPX-SFHVURJKSA-N 2 2 372.473 0.126 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(CC[NH2+]CCc3c[nH]nn3)cc2)C1 ZINC001576888323 1273880150 /nfs/dbraw/zinc/88/01/50/1273880150.db2.gz BNIUPPNPCNKNPX-SFHVURJKSA-N 2 2 372.473 0.126 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(CC[NH2+]CCc3c[nH]nn3)cc2)C1 ZINC001576888323 1273880153 /nfs/dbraw/zinc/88/01/53/1273880153.db2.gz BNIUPPNPCNKNPX-SFHVURJKSA-N 2 2 372.473 0.126 20 0 FCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577563405 1274516125 /nfs/dbraw/zinc/51/61/25/1274516125.db2.gz QNAFVBSMDYYZQI-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577563405 1274516130 /nfs/dbraw/zinc/51/61/30/1274516130.db2.gz QNAFVBSMDYYZQI-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577563405 1274516136 /nfs/dbraw/zinc/51/61/36/1274516136.db2.gz QNAFVBSMDYYZQI-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001577563405 1274516141 /nfs/dbraw/zinc/51/61/41/1274516141.db2.gz QNAFVBSMDYYZQI-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563701 1274518697 /nfs/dbraw/zinc/51/86/97/1274518697.db2.gz XTKPIJVANXNLPE-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563701 1274518702 /nfs/dbraw/zinc/51/87/02/1274518702.db2.gz XTKPIJVANXNLPE-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563701 1274518706 /nfs/dbraw/zinc/51/87/06/1274518706.db2.gz XTKPIJVANXNLPE-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577563701 1274518709 /nfs/dbraw/zinc/51/87/09/1274518709.db2.gz XTKPIJVANXNLPE-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+](CCc3cn[nH]n3)C[C@H]21 ZINC001577577860 1274544227 /nfs/dbraw/zinc/54/42/27/1274544227.db2.gz HNZGHHMWYXAGNE-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+](CCc3cn[nH]n3)C[C@H]21 ZINC001577577860 1274544234 /nfs/dbraw/zinc/54/42/34/1274544234.db2.gz HNZGHHMWYXAGNE-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+](CCc3c[nH]nn3)C[C@H]21 ZINC001577577860 1274544238 /nfs/dbraw/zinc/54/42/38/1274544238.db2.gz HNZGHHMWYXAGNE-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+](CCc3c[nH]nn3)C[C@H]21 ZINC001577577860 1274544244 /nfs/dbraw/zinc/54/42/44/1274544244.db2.gz HNZGHHMWYXAGNE-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP CC[NH+](CC)CCCCNC(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001577687975 1274740984 /nfs/dbraw/zinc/74/09/84/1274740984.db2.gz WUYLGRQWJBHYHV-SFHVURJKSA-N 2 2 357.495 0.925 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3OC)CC2)CC1 ZINC001577767465 1274853555 /nfs/dbraw/zinc/85/35/55/1274853555.db2.gz LOQGDKZMNBOMQX-IAGOWNOFSA-N 3 2 353.511 0.175 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3OC)CC2)CC1 ZINC001577767465 1274853561 /nfs/dbraw/zinc/85/35/61/1274853561.db2.gz LOQGDKZMNBOMQX-IAGOWNOFSA-N 3 2 353.511 0.175 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)N3CC[NH2+]CC3=O)c2)CC1 ZINC001577782239 1274875088 /nfs/dbraw/zinc/87/50/88/1274875088.db2.gz XRGZWCLEROUOIP-OAHLLOKOSA-N 2 2 359.474 0.587 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577805734 1274909884 /nfs/dbraw/zinc/90/98/84/1274909884.db2.gz ULUWZVUOLIDWNQ-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001577805734 1274909891 /nfs/dbraw/zinc/90/98/91/1274909891.db2.gz ULUWZVUOLIDWNQ-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577849058 1274983568 /nfs/dbraw/zinc/98/35/68/1274983568.db2.gz AZZHSMNFISEAAL-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001577849058 1274983575 /nfs/dbraw/zinc/98/35/75/1274983575.db2.gz AZZHSMNFISEAAL-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC[NH+](CC)CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577879785 1275077078 /nfs/dbraw/zinc/07/70/78/1275077078.db2.gz NBWLOKBSFSNJCK-ZDUSSCGKSA-N 2 2 358.450 0.641 20 0 FCADLP O=C(NC[C@@H]([NH2+]CCc1cn[nH]n1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577992646 1275239228 /nfs/dbraw/zinc/23/92/28/1275239228.db2.gz ZPHJKPZQHMASCZ-QGZVFWFLSA-N 2 2 373.461 0.729 20 0 FCADLP O=C(NC[C@@H]([NH2+]CCc1c[nH]nn1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577992646 1275239239 /nfs/dbraw/zinc/23/92/39/1275239239.db2.gz ZPHJKPZQHMASCZ-QGZVFWFLSA-N 2 2 373.461 0.729 20 0 FCADLP O=C(NCC1CC([NH2+]CCc2c[nH]nn2)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001577995928 1275247493 /nfs/dbraw/zinc/24/74/93/1275247493.db2.gz CLTCZEFKCRSZHI-UHFFFAOYSA-N 2 2 373.461 0.729 20 0 FCADLP CCN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001578105484 1275409363 /nfs/dbraw/zinc/40/93/63/1275409363.db2.gz YUSDHYOXNCRQMO-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001578136476 1275435403 /nfs/dbraw/zinc/43/54/03/1275435403.db2.gz QZVSRCKVBGZXCH-ZDUSSCGKSA-N 2 2 369.433 0.792 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001578197025 1275485156 /nfs/dbraw/zinc/48/51/56/1275485156.db2.gz DFPGNNZMKPTSNA-CYBMUJFWSA-N 2 2 358.450 0.689 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001578197398 1275486497 /nfs/dbraw/zinc/48/64/97/1275486497.db2.gz UYYXTMRYVBXKFD-CYBMUJFWSA-N 2 2 369.433 0.798 20 0 FCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001580808600 1278970837 /nfs/dbraw/zinc/97/08/37/1278970837.db2.gz JBSSMQJALQIDQW-RTBURBONSA-N 2 2 359.470 0.651 20 0 FCADLP CC[C@H](C(=O)N(C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001578471671 1275884565 /nfs/dbraw/zinc/88/45/65/1275884565.db2.gz YLAOQLSBWWFMOE-MRXNPFEDSA-N 2 2 357.462 0.850 20 0 FCADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](CCO)C2)[C@H]1c1ccc(F)cc1 ZINC001578525023 1275958117 /nfs/dbraw/zinc/95/81/17/1275958117.db2.gz MKKPSQVPXBTPML-IXDOHACOSA-N 2 2 350.438 0.937 20 0 FCADLP C[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](CCO)C2)[C@H]1c1ccc(F)cc1 ZINC001578525023 1275958118 /nfs/dbraw/zinc/95/81/18/1275958118.db2.gz MKKPSQVPXBTPML-IXDOHACOSA-N 2 2 350.438 0.937 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC001578554050 1275981606 /nfs/dbraw/zinc/98/16/06/1275981606.db2.gz BKLBYJOMUOCZMY-KRWDZBQOSA-N 2 2 358.486 0.959 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC001578554050 1275981613 /nfs/dbraw/zinc/98/16/13/1275981613.db2.gz BKLBYJOMUOCZMY-KRWDZBQOSA-N 2 2 358.486 0.959 20 0 FCADLP C[NH2+]CCCn1c([C@@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578696345 1276157703 /nfs/dbraw/zinc/15/77/03/1276157703.db2.gz CSCWQBJMZFDKDR-INIZCTEOSA-N 2 2 366.510 0.898 20 0 FCADLP CN(C(=O)C1(C[NH+](C)C)CC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578968648 1276512964 /nfs/dbraw/zinc/51/29/64/1276512964.db2.gz LLPRUJHZYPHWHS-UHFFFAOYSA-N 2 2 369.473 0.851 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006395 1276576611 /nfs/dbraw/zinc/57/66/11/1276576611.db2.gz ZTXXMUDPPBQEHR-GFCCVEGCSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006395 1276576616 /nfs/dbraw/zinc/57/66/16/1276576616.db2.gz ZTXXMUDPPBQEHR-GFCCVEGCSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+](CC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001579007971 1276579386 /nfs/dbraw/zinc/57/93/86/1276579386.db2.gz IJWHJVIBLMNAFY-UHFFFAOYSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+](CC(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C1CCC1 ZINC001579007971 1276579394 /nfs/dbraw/zinc/57/93/94/1276579394.db2.gz IJWHJVIBLMNAFY-UHFFFAOYSA-N 2 2 355.446 0.651 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579097950 1276749817 /nfs/dbraw/zinc/74/98/17/1276749817.db2.gz HEQSXYXQZQNOTJ-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579097950 1276749824 /nfs/dbraw/zinc/74/98/24/1276749824.db2.gz HEQSXYXQZQNOTJ-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579102939 1276761584 /nfs/dbraw/zinc/76/15/84/1276761584.db2.gz SLIWUNGVMOFKDR-WBVHZDCISA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[NH+]1C ZINC001579102939 1276761591 /nfs/dbraw/zinc/76/15/91/1276761591.db2.gz SLIWUNGVMOFKDR-WBVHZDCISA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579102939 1276761601 /nfs/dbraw/zinc/76/16/01/1276761601.db2.gz SLIWUNGVMOFKDR-WBVHZDCISA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579102939 1276761615 /nfs/dbraw/zinc/76/16/15/1276761615.db2.gz SLIWUNGVMOFKDR-WBVHZDCISA-N 2 2 369.473 0.994 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579128581 1276815506 /nfs/dbraw/zinc/81/55/06/1276815506.db2.gz OAXZLNACKHKVLQ-QGZVFWFLSA-N 2 2 360.462 0.679 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579128581 1276815511 /nfs/dbraw/zinc/81/55/11/1276815511.db2.gz OAXZLNACKHKVLQ-QGZVFWFLSA-N 2 2 360.462 0.679 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@H+](C)C1CCC1 ZINC001579151248 1276889868 /nfs/dbraw/zinc/88/98/68/1276889868.db2.gz WLJSPPUBLLCJHJ-UHFFFAOYSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[N@@H+](C)C1CCC1 ZINC001579151248 1276889878 /nfs/dbraw/zinc/88/98/78/1276889878.db2.gz WLJSPPUBLLCJHJ-UHFFFAOYSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579186515 1276955474 /nfs/dbraw/zinc/95/54/74/1276955474.db2.gz ILRSOKXNUYBGNN-VXGBXAGGSA-N 2 2 367.417 0.351 20 0 FCADLP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001579217410 1277015724 /nfs/dbraw/zinc/01/57/24/1277015724.db2.gz IETQAPPFLLJBGY-VXGBXAGGSA-N 2 2 367.417 0.091 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334450 1277171147 /nfs/dbraw/zinc/17/11/47/1277171147.db2.gz FECITRICGYASOK-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334450 1277171148 /nfs/dbraw/zinc/17/11/48/1277171148.db2.gz FECITRICGYASOK-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334450 1277171149 /nfs/dbraw/zinc/17/11/49/1277171149.db2.gz FECITRICGYASOK-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334450 1277171150 /nfs/dbraw/zinc/17/11/50/1277171150.db2.gz FECITRICGYASOK-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366126 1277246101 /nfs/dbraw/zinc/24/61/01/1277246101.db2.gz NTYNDMAJERZMSQ-CZUORRHYSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366126 1277246105 /nfs/dbraw/zinc/24/61/05/1277246105.db2.gz NTYNDMAJERZMSQ-CZUORRHYSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366283 1277247066 /nfs/dbraw/zinc/24/70/66/1277247066.db2.gz RDPFKXYCMOCUIV-HOTGVXAUSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366283 1277247068 /nfs/dbraw/zinc/24/70/68/1277247068.db2.gz RDPFKXYCMOCUIV-HOTGVXAUSA-N 2 2 370.461 0.475 20 0 FCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001580248024 1278054063 /nfs/dbraw/zinc/05/40/63/1278054063.db2.gz XKEJOTOPRHALQR-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001580280030 1278080090 /nfs/dbraw/zinc/08/00/90/1278080090.db2.gz RFAXUAUXOBLMEG-LBPRGKRZSA-N 2 2 354.418 0.437 20 0 FCADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC001580859251 1279054084 /nfs/dbraw/zinc/05/40/84/1279054084.db2.gz XBZOQDOMSKKPFD-IMJJTQAJSA-N 2 2 371.503 0.601 20 0 FCADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC001580859251 1279054086 /nfs/dbraw/zinc/05/40/86/1279054086.db2.gz XBZOQDOMSKKPFD-IMJJTQAJSA-N 2 2 371.503 0.601 20 0 FCADLP O=S(=O)(NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC[NH2+]CC1 ZINC001580867920 1279071458 /nfs/dbraw/zinc/07/14/58/1279071458.db2.gz VYAFKEKLPSMCBI-UHFFFAOYSA-N 2 2 359.536 0.941 20 0 FCADLP Cc1cc(N(C)[C@H](C)CNC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941623 1279149999 /nfs/dbraw/zinc/14/99/99/1279149999.db2.gz SXHFIMNZNRVKFO-CYBMUJFWSA-N 2 2 369.433 0.798 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580990432 1279191747 /nfs/dbraw/zinc/19/17/47/1279191747.db2.gz QOZDGSXMPUYVLO-GHMZBOCLSA-N 2 2 369.433 0.571 20 0 FCADLP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991313 1279194484 /nfs/dbraw/zinc/19/44/84/1279194484.db2.gz YHDGKMVMCSKEHD-NWDGAFQWSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1cc(N[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992765 1279195919 /nfs/dbraw/zinc/19/59/19/1279195919.db2.gz AGYIVHSHEPVKAV-CQSZACIVSA-N 2 2 367.417 0.265 20 0 FCADLP Cc1cc(N[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007876 1279228779 /nfs/dbraw/zinc/22/87/79/1279228779.db2.gz CTQVBDYMHPUOFV-NHYWBVRUSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008746 1279232466 /nfs/dbraw/zinc/23/24/66/1279232466.db2.gz PGVKQRRILRAGPZ-MEBBXXQBSA-N 2 2 367.417 0.217 20 0 FCADLP Cc1cc(NC[C@@H](C)N(C)C(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012699 1279238888 /nfs/dbraw/zinc/23/88/88/1279238888.db2.gz APKSIPADTKEBLG-CYBMUJFWSA-N 2 2 369.433 0.538 20 0 FCADLP Cc1cc(NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024547 1279256425 /nfs/dbraw/zinc/25/64/25/1279256425.db2.gz CRGUQXKMZFVEDP-JTQLQIEISA-N 2 2 355.406 0.265 20 0 FCADLP Cc1cc(NCCN(C)C(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028222 1279262508 /nfs/dbraw/zinc/26/25/08/1279262508.db2.gz LXEGWJLILICSCD-UHFFFAOYSA-N 2 2 355.406 0.149 20 0 FCADLP Cc1cc(NC[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030900 1279270363 /nfs/dbraw/zinc/27/03/63/1279270363.db2.gz SXEIOTIDCFCZTA-GFCCVEGCSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581338272 1279718516 /nfs/dbraw/zinc/71/85/16/1279718516.db2.gz GBOZGCNTLJOACA-NSHDSACASA-N 2 2 372.408 0.805 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339752 1279721328 /nfs/dbraw/zinc/72/13/28/1279721328.db2.gz KVFPWCGOIRCARE-LLVKDONJSA-N 2 2 355.406 0.408 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581340928 1279723523 /nfs/dbraw/zinc/72/35/23/1279723523.db2.gz XNGFUIMFISTMGD-JTQLQIEISA-N 2 2 360.447 0.728 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582050211 1280972308 /nfs/dbraw/zinc/97/23/08/1280972308.db2.gz PEMVBBGJSOXSFG-CYBMUJFWSA-N 2 2 367.417 0.373 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582100488 1281057181 /nfs/dbraw/zinc/05/71/81/1281057181.db2.gz IXJXLVZZECPLKD-OAHLLOKOSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582100488 1281057185 /nfs/dbraw/zinc/05/71/85/1281057185.db2.gz IXJXLVZZECPLKD-OAHLLOKOSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582100941 1281058004 /nfs/dbraw/zinc/05/80/04/1281058004.db2.gz WIQZMGMCSBDFBL-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001582100941 1281058006 /nfs/dbraw/zinc/05/80/06/1281058006.db2.gz WIQZMGMCSBDFBL-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582169392 1281135944 /nfs/dbraw/zinc/13/59/44/1281135944.db2.gz PQWCBUUYDAORQW-INIZCTEOSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582196152 1281176344 /nfs/dbraw/zinc/17/63/44/1281176344.db2.gz FJMNYFZCCUYKML-UHFFFAOYSA-N 2 2 352.402 0.502 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582196212 1281176941 /nfs/dbraw/zinc/17/69/41/1281176941.db2.gz GIHSBHVFIDEGQK-TZMCWYRMSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582197222 1281180723 /nfs/dbraw/zinc/18/07/23/1281180723.db2.gz ISYGMHSJYJHZLJ-CQSZACIVSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582197222 1281180726 /nfs/dbraw/zinc/18/07/26/1281180726.db2.gz ISYGMHSJYJHZLJ-CQSZACIVSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582196957 1281180951 /nfs/dbraw/zinc/18/09/51/1281180951.db2.gz YWCXCEWGVNSOCQ-CHWSQXEVSA-N 2 2 367.417 0.420 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582197498 1281181698 /nfs/dbraw/zinc/18/16/98/1281181698.db2.gz QQPMSTDJORVBRW-GFCCVEGCSA-N 2 2 353.390 0.101 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197470 1281182965 /nfs/dbraw/zinc/18/29/65/1281182965.db2.gz PTPIZAUJUURLGJ-KOMQPUFPSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)C12CC[NH+](CC1)C2 ZINC001582216381 1281195918 /nfs/dbraw/zinc/19/59/18/1281195918.db2.gz IIEJLSHDHAWZOY-UHFFFAOYSA-N 2 2 367.457 0.607 20 0 FCADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810912 1282035280 /nfs/dbraw/zinc/03/52/80/1282035280.db2.gz WCXCGNZEWRYXDN-DLBZAZTESA-N 2 2 358.446 0.431 20 0 FCADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810912 1282035281 /nfs/dbraw/zinc/03/52/81/1282035281.db2.gz WCXCGNZEWRYXDN-DLBZAZTESA-N 2 2 358.446 0.431 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001632664220 1282197007 /nfs/dbraw/zinc/19/70/07/1282197007.db2.gz LSJVQHWGWBADET-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001632664220 1282197014 /nfs/dbraw/zinc/19/70/14/1282197014.db2.gz LSJVQHWGWBADET-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589141124 1282805148 /nfs/dbraw/zinc/80/51/48/1282805148.db2.gz JEXFCBCZKMUJJO-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CC(C)N(CCCNC(=O)Cn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001589683530 1282944831 /nfs/dbraw/zinc/94/48/31/1282944831.db2.gz WTAWMVQDNWAHAP-UHFFFAOYSA-N 2 2 369.433 0.880 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001589828701 1283068491 /nfs/dbraw/zinc/06/84/91/1283068491.db2.gz GTDAYVXIWBTRJP-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590292383 1283423043 /nfs/dbraw/zinc/42/30/43/1283423043.db2.gz XGRMLXUIWVGLSL-SWLSCSKDSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590309818 1283455011 /nfs/dbraw/zinc/45/50/11/1283455011.db2.gz ZMBIRTKAZNEJDD-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590309818 1283455019 /nfs/dbraw/zinc/45/50/19/1283455019.db2.gz ZMBIRTKAZNEJDD-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP C/C=C(/C)C(=O)NCC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001590350388 1283493044 /nfs/dbraw/zinc/49/30/44/1283493044.db2.gz QGAJGLAHHABYER-PQMHYQBVSA-N 2 2 370.461 0.775 20 0 FCADLP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001591078348 1284147514 /nfs/dbraw/zinc/14/75/14/1284147514.db2.gz BOTKVSBEULLDRI-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cn1cc[nH+]c1 ZINC001591078853 1284149195 /nfs/dbraw/zinc/14/91/95/1284149195.db2.gz YOZTYJWOSPRGJA-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Cc1c[nH+]cn1C ZINC001591083587 1284153712 /nfs/dbraw/zinc/15/37/12/1284153712.db2.gz CKWDVQLGGTWZEJ-UHFFFAOYSA-N 2 2 374.474 0.843 20 0 FCADLP CN(CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001591102251 1284172194 /nfs/dbraw/zinc/17/21/94/1284172194.db2.gz JWYUYFATEGSLTL-UHFFFAOYSA-N 2 2 358.381 0.451 20 0 FCADLP CN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCn1cc[nH+]c1 ZINC001591103942 1284175769 /nfs/dbraw/zinc/17/57/69/1284175769.db2.gz FRFMORSPYQOOAV-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187508 1284301992 /nfs/dbraw/zinc/30/19/92/1284301992.db2.gz VMEWMIWEQWOSER-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187508 1284302005 /nfs/dbraw/zinc/30/20/05/1284302005.db2.gz VMEWMIWEQWOSER-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187508 1284302013 /nfs/dbraw/zinc/30/20/13/1284302013.db2.gz VMEWMIWEQWOSER-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187508 1284302022 /nfs/dbraw/zinc/30/20/22/1284302022.db2.gz VMEWMIWEQWOSER-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649222 1287710128 /nfs/dbraw/zinc/71/01/28/1287710128.db2.gz HTBVVXPEGGSHJR-SWLSCSKDSA-N 2 2 356.434 0.393 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649222 1287710138 /nfs/dbraw/zinc/71/01/38/1287710138.db2.gz HTBVVXPEGGSHJR-SWLSCSKDSA-N 2 2 356.434 0.393 20 0 FCADLP C[C@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591776241 1284898973 /nfs/dbraw/zinc/89/89/73/1284898973.db2.gz BGVAHPDARAQMJE-KBPBESRZSA-N 2 2 370.461 0.546 20 0 FCADLP Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592043052 1285082937 /nfs/dbraw/zinc/08/29/37/1285082937.db2.gz XKWBMPZOVHSQIX-MRXNPFEDSA-N 2 2 361.475 0.612 20 0 FCADLP Cc1cc(NCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046512 1285088879 /nfs/dbraw/zinc/08/88/79/1285088879.db2.gz UBQJGKRMJLSYNK-NSHDSACASA-N 2 2 369.433 0.655 20 0 FCADLP Cc1ccn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266767 1285208304 /nfs/dbraw/zinc/20/83/04/1285208304.db2.gz GVZSCKKDKBKCTK-RRFJBIMHSA-N 2 2 357.462 0.956 20 0 FCADLP Cc1ccn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266767 1285208315 /nfs/dbraw/zinc/20/83/15/1285208315.db2.gz GVZSCKKDKBKCTK-RRFJBIMHSA-N 2 2 357.462 0.956 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001592418681 1285344499 /nfs/dbraw/zinc/34/44/99/1285344499.db2.gz FIDWHBKEBGHJTF-UHFFFAOYSA-N 2 2 352.406 0.936 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC001592418681 1285344514 /nfs/dbraw/zinc/34/45/14/1285344514.db2.gz FIDWHBKEBGHJTF-UHFFFAOYSA-N 2 2 352.406 0.936 20 0 FCADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001592742688 1285660931 /nfs/dbraw/zinc/66/09/31/1285660931.db2.gz VSNCNPDVGYFHSM-INIZCTEOSA-N 2 2 370.461 0.431 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001702450442 1285688015 /nfs/dbraw/zinc/68/80/15/1285688015.db2.gz KEWXGIBEHFBNKE-HZPDHXFCSA-N 2 2 361.490 0.848 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCn2c[nH+]cc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504731 1286184618 /nfs/dbraw/zinc/18/46/18/1286184618.db2.gz MFTADTVHCCXKPC-UKRRQHHQSA-N 2 2 355.402 0.408 20 0 FCADLP C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704147920 1286190081 /nfs/dbraw/zinc/19/00/81/1286190081.db2.gz STELLKHRVXQTBN-RBSFLKMASA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001704717713 1286288338 /nfs/dbraw/zinc/28/83/38/1286288338.db2.gz XAVMXVMTTMMKBR-NRXGSXMXSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001704717713 1286288347 /nfs/dbraw/zinc/28/83/47/1286288347.db2.gz XAVMXVMTTMMKBR-NRXGSXMXSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001707159890 1286481940 /nfs/dbraw/zinc/48/19/40/1286481940.db2.gz FRXUZDYUEYAQSO-ZBFHGGJFSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001707159046 1286482266 /nfs/dbraw/zinc/48/22/66/1286482266.db2.gz VAUFBOXWQGDTLF-IPYPFGDCSA-N 2 2 365.478 0.830 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001736071442 1289130972 /nfs/dbraw/zinc/13/09/72/1289130972.db2.gz XZWHGPDNKATEOE-QKPAOTATSA-N 2 2 370.457 0.740 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)[NH+](CC)CC ZINC001719283211 1288022689 /nfs/dbraw/zinc/02/26/89/1288022689.db2.gz XMPDRVBDJLVQTE-PMPSAXMXSA-N 2 2 365.478 0.151 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1)[NH+](CC)CC ZINC001719283211 1288022693 /nfs/dbraw/zinc/02/26/93/1288022693.db2.gz XMPDRVBDJLVQTE-PMPSAXMXSA-N 2 2 365.478 0.151 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001606097977 1288162803 /nfs/dbraw/zinc/16/28/03/1288162803.db2.gz UPNYAERDETWTQP-UHFFFAOYSA-N 2 2 369.433 0.587 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720379555 1288226892 /nfs/dbraw/zinc/22/68/92/1288226892.db2.gz YTULIHCSLYNDDJ-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720379555 1288226897 /nfs/dbraw/zinc/22/68/97/1288226897.db2.gz YTULIHCSLYNDDJ-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606610198 1288406690 /nfs/dbraw/zinc/40/66/90/1288406690.db2.gz YXBJFYLTRWLEOF-UHFFFAOYSA-N 2 2 366.429 0.867 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606610198 1288406693 /nfs/dbraw/zinc/40/66/93/1288406693.db2.gz YXBJFYLTRWLEOF-UHFFFAOYSA-N 2 2 366.429 0.867 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001731453154 1288557655 /nfs/dbraw/zinc/55/76/55/1288557655.db2.gz HJHDTQFYCGFHMW-OXGONZEZSA-N 2 2 361.490 0.921 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@H](O)COCc3ccccc3)C2)CC[N@@H+]1C ZINC001732101325 1288575323 /nfs/dbraw/zinc/57/53/23/1288575323.db2.gz LLFMTFMRLUGBIN-AYOQOUSVSA-N 2 2 361.486 0.705 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@H](O)COCc3ccccc3)C2)CC[N@H+]1C ZINC001732101325 1288575326 /nfs/dbraw/zinc/57/53/26/1288575326.db2.gz LLFMTFMRLUGBIN-AYOQOUSVSA-N 2 2 361.486 0.705 20 0 FCADLP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1)c1nnnn1C ZINC001691957339 1289350469 /nfs/dbraw/zinc/35/04/69/1289350469.db2.gz DBUWQBKTTQPUFP-SOUVJXGZSA-N 2 2 360.466 0.823 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001692083343 1289389718 /nfs/dbraw/zinc/38/97/18/1289389718.db2.gz SAKREYAUWCNAMB-CABCVRRESA-N 2 2 364.494 0.121 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001692083343 1289389723 /nfs/dbraw/zinc/38/97/23/1289389723.db2.gz SAKREYAUWCNAMB-CABCVRRESA-N 2 2 364.494 0.121 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001692083343 1289389733 /nfs/dbraw/zinc/38/97/33/1289389733.db2.gz SAKREYAUWCNAMB-CABCVRRESA-N 2 2 364.494 0.121 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001692083343 1289389742 /nfs/dbraw/zinc/38/97/42/1289389742.db2.gz SAKREYAUWCNAMB-CABCVRRESA-N 2 2 364.494 0.121 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001692086545 1289392910 /nfs/dbraw/zinc/39/29/10/1289392910.db2.gz COKJFMMYAIGBID-CVEARBPZSA-N 2 2 366.485 0.868 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001692086545 1289392916 /nfs/dbraw/zinc/39/29/16/1289392916.db2.gz COKJFMMYAIGBID-CVEARBPZSA-N 2 2 366.485 0.868 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001692086545 1289392927 /nfs/dbraw/zinc/39/29/27/1289392927.db2.gz COKJFMMYAIGBID-CVEARBPZSA-N 2 2 366.485 0.868 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001692086545 1289392930 /nfs/dbraw/zinc/39/29/30/1289392930.db2.gz COKJFMMYAIGBID-CVEARBPZSA-N 2 2 366.485 0.868 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001692217002 1289430489 /nfs/dbraw/zinc/43/04/89/1289430489.db2.gz VGGNXZZKHSYMBH-PBHICJAKSA-N 2 2 370.457 0.985 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001692217002 1289430492 /nfs/dbraw/zinc/43/04/92/1289430492.db2.gz VGGNXZZKHSYMBH-PBHICJAKSA-N 2 2 370.457 0.985 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001692289265 1289444947 /nfs/dbraw/zinc/44/49/47/1289444947.db2.gz LTRNMOUJKFPUPK-CVEARBPZSA-N 2 2 359.474 0.567 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)CC[C@@H]2C1 ZINC001692289265 1289444948 /nfs/dbraw/zinc/44/49/48/1289444948.db2.gz LTRNMOUJKFPUPK-CVEARBPZSA-N 2 2 359.474 0.567 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001698081860 1289523857 /nfs/dbraw/zinc/52/38/57/1289523857.db2.gz ASTKXMWSMJVCPR-HZPDHXFCSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001698081860 1289523866 /nfs/dbraw/zinc/52/38/66/1289523866.db2.gz ASTKXMWSMJVCPR-HZPDHXFCSA-N 2 2 366.510 0.464 20 0 FCADLP CCN(C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001698845241 1289538047 /nfs/dbraw/zinc/53/80/47/1289538047.db2.gz JCAHFPIOTCKWPR-FVQBIDKESA-N 2 2 361.490 0.971 20 0 FCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001699656040 1289560271 /nfs/dbraw/zinc/56/02/71/1289560271.db2.gz BJJHYLYANOUBEF-XHSDSOJGSA-N 2 2 355.479 0.140 20 0 FCADLP CCc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCOCC2)o1 ZINC001699880005 1289569206 /nfs/dbraw/zinc/56/92/06/1289569206.db2.gz APUCYXGSQMQQJA-ZIAGYGMSSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCOCC2)o1 ZINC001699880005 1289569214 /nfs/dbraw/zinc/56/92/14/1289569214.db2.gz APUCYXGSQMQQJA-ZIAGYGMSSA-N 2 2 365.478 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001737850292 1289598301 /nfs/dbraw/zinc/59/83/01/1289598301.db2.gz MTSWYTLORNTBJJ-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001738672893 1289714215 /nfs/dbraw/zinc/71/42/15/1289714215.db2.gz SGBICUUKLULMLQ-RBSFLKMASA-N 2 2 356.430 0.446 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1O ZINC001739450082 1290016900 /nfs/dbraw/zinc/01/69/00/1290016900.db2.gz UFYGMNCNHRLPQI-BZUAXINKSA-N 2 2 365.478 0.254 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1O ZINC001739450082 1290016913 /nfs/dbraw/zinc/01/69/13/1290016913.db2.gz UFYGMNCNHRLPQI-BZUAXINKSA-N 2 2 365.478 0.254 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)CC(C)(C)C ZINC001702363935 1290136504 /nfs/dbraw/zinc/13/65/04/1290136504.db2.gz IXHRVEGZSTZYTO-CABCVRRESA-N 2 2 365.478 0.008 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)CC(C)(C)C ZINC001702363935 1290136509 /nfs/dbraw/zinc/13/65/09/1290136509.db2.gz IXHRVEGZSTZYTO-CABCVRRESA-N 2 2 365.478 0.008 20 0 FCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001752745376 1290615130 /nfs/dbraw/zinc/61/51/30/1290615130.db2.gz GITXDKQCNLMCMV-UUAJXVIYSA-N 2 2 355.479 0.138 20 0 FCADLP O=C(CC[NH2+][C@H](CO)[C@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001653888502 1291376213 /nfs/dbraw/zinc/37/62/13/1291376213.db2.gz SJHMULKECQLRJG-DLBZAZTESA-N 2 2 362.474 0.497 20 0 FCADLP O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001654415603 1291409545 /nfs/dbraw/zinc/40/95/45/1291409545.db2.gz CIEVTMJVYYBYAI-PKOBYXMFSA-N 2 2 374.485 0.858 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001656847219 1291567609 /nfs/dbraw/zinc/56/76/09/1291567609.db2.gz GGSKSYNPFFBTKT-SJORKVTESA-N 2 2 359.474 0.498 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001656847219 1291567613 /nfs/dbraw/zinc/56/76/13/1291567613.db2.gz GGSKSYNPFFBTKT-SJORKVTESA-N 2 2 359.474 0.498 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC001672406726 1292080146 /nfs/dbraw/zinc/08/01/46/1292080146.db2.gz XMXKXKKHGRMULU-GJZGRUSLSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001673434160 1292108660 /nfs/dbraw/zinc/10/86/60/1292108660.db2.gz GXTXHCYHEHWBSE-HUUCEWRRSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001673434160 1292108664 /nfs/dbraw/zinc/10/86/64/1292108664.db2.gz GXTXHCYHEHWBSE-HUUCEWRRSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)Cc2nnc3n2CCOC3)CC[NH+]1C ZINC001673434160 1292108671 /nfs/dbraw/zinc/10/86/71/1292108671.db2.gz GXTXHCYHEHWBSE-HUUCEWRRSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)Cc2nnc3n2CCOC3)CC[NH+]1C ZINC001673434160 1292108676 /nfs/dbraw/zinc/10/86/76/1292108676.db2.gz GXTXHCYHEHWBSE-HUUCEWRRSA-N 2 2 364.494 0.429 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001685078291 1292419731 /nfs/dbraw/zinc/41/97/31/1292419731.db2.gz GZOUMNYYZQBZAQ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001685078291 1292419734 /nfs/dbraw/zinc/41/97/34/1292419734.db2.gz GZOUMNYYZQBZAQ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001685078291 1292419738 /nfs/dbraw/zinc/41/97/38/1292419738.db2.gz GZOUMNYYZQBZAQ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001685078291 1292419741 /nfs/dbraw/zinc/41/97/41/1292419741.db2.gz GZOUMNYYZQBZAQ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312915 1294738617 /nfs/dbraw/zinc/73/86/17/1294738617.db2.gz PMLVXUVCJGWWKS-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312915 1294738622 /nfs/dbraw/zinc/73/86/22/1294738622.db2.gz PMLVXUVCJGWWKS-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312915 1294738628 /nfs/dbraw/zinc/73/86/28/1294738628.db2.gz PMLVXUVCJGWWKS-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312915 1294738635 /nfs/dbraw/zinc/73/86/35/1294738635.db2.gz PMLVXUVCJGWWKS-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312914 1294738787 /nfs/dbraw/zinc/73/87/87/1294738787.db2.gz PMLVXUVCJGWWKS-ILXRZTDVSA-N 2 2 367.494 0.143 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312914 1294738795 /nfs/dbraw/zinc/73/87/95/1294738795.db2.gz PMLVXUVCJGWWKS-ILXRZTDVSA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312914 1294738807 /nfs/dbraw/zinc/73/88/07/1294738807.db2.gz PMLVXUVCJGWWKS-ILXRZTDVSA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)[C@@H]2C)C1 ZINC001689312914 1294738816 /nfs/dbraw/zinc/73/88/16/1294738816.db2.gz PMLVXUVCJGWWKS-ILXRZTDVSA-N 2 2 367.494 0.143 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336469 1294758353 /nfs/dbraw/zinc/75/83/53/1294758353.db2.gz PPPJHVIPKYUBIM-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336469 1294758359 /nfs/dbraw/zinc/75/83/59/1294758359.db2.gz PPPJHVIPKYUBIM-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)[C@@H]1C ZINC001689336628 1294759870 /nfs/dbraw/zinc/75/98/70/1294759870.db2.gz VVIDFRLHRSUEKY-BMFZPTHFSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)[C@@H]1C ZINC001689336628 1294759880 /nfs/dbraw/zinc/75/98/80/1294759880.db2.gz VVIDFRLHRSUEKY-BMFZPTHFSA-N 2 2 363.462 0.066 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC001689342281 1294764301 /nfs/dbraw/zinc/76/43/01/1294764301.db2.gz NTPHDCAHUAJYPM-NUJGCVRESA-N 2 2 358.442 0.902 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC001689342281 1294764307 /nfs/dbraw/zinc/76/43/07/1294764307.db2.gz NTPHDCAHUAJYPM-NUJGCVRESA-N 2 2 358.442 0.902 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001689537551 1294791564 /nfs/dbraw/zinc/79/15/64/1294791564.db2.gz LYGBMYWVDSYXOL-ARFHVFGLSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001689537551 1294791573 /nfs/dbraw/zinc/79/15/73/1294791573.db2.gz LYGBMYWVDSYXOL-ARFHVFGLSA-N 2 2 359.474 0.725 20 0 FCADLP CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001689546536 1294793808 /nfs/dbraw/zinc/79/38/08/1294793808.db2.gz DZNHZLXOEJBWLK-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001689546536 1294793810 /nfs/dbraw/zinc/79/38/10/1294793810.db2.gz DZNHZLXOEJBWLK-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc(N(C)C)[nH+]1 ZINC001164794579 721509734 /nfs/dbraw/zinc/50/97/34/721509734.db2.gz AOYNEVNBSLJMDX-UHFFFAOYSA-N 2 2 370.505 0.815 20 0 FCADLP Cc1nc(N(C)C)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)[nH+]1 ZINC001164794579 721509736 /nfs/dbraw/zinc/50/97/36/721509736.db2.gz AOYNEVNBSLJMDX-UHFFFAOYSA-N 2 2 370.505 0.815 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928831 837565287 /nfs/dbraw/zinc/56/52/87/837565287.db2.gz LDVULYSGWYEWND-KALZGNQQSA-N 2 2 364.881 0.714 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928831 837565289 /nfs/dbraw/zinc/56/52/89/837565289.db2.gz LDVULYSGWYEWND-KALZGNQQSA-N 2 2 364.881 0.714 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276539 837642602 /nfs/dbraw/zinc/64/26/02/837642602.db2.gz MAAHTTVAEMUMCY-ILXRZTDVSA-N 2 2 363.491 0.617 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001071052445 837719471 /nfs/dbraw/zinc/71/94/71/837719471.db2.gz XJDOIGSMKQVSGW-JOQOYGCGSA-N 2 2 350.463 0.709 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2nccs2)C3)O1 ZINC001072850305 837744649 /nfs/dbraw/zinc/74/46/49/837744649.db2.gz VWHDIRVMSZQXTA-ZIAGYGMSSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2nccs2)C3)O1 ZINC001072850305 837744656 /nfs/dbraw/zinc/74/46/56/837744656.db2.gz VWHDIRVMSZQXTA-ZIAGYGMSSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2nccs2)C3)O1 ZINC001072850305 837744667 /nfs/dbraw/zinc/74/46/67/837744667.db2.gz VWHDIRVMSZQXTA-ZIAGYGMSSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2nccs2)C3)O1 ZINC001072850305 837744679 /nfs/dbraw/zinc/74/46/79/837744679.db2.gz VWHDIRVMSZQXTA-ZIAGYGMSSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001099337308 844030818 /nfs/dbraw/zinc/03/08/18/844030818.db2.gz PMLLCNRFUXUPOS-CKYFFXLPSA-N 2 2 359.352 0.128 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C(F)(F)F)n1 ZINC001099343653 844036370 /nfs/dbraw/zinc/03/63/70/844036370.db2.gz RFDDBFVORHCRFU-ZIAGYGMSSA-N 2 2 359.396 0.995 20 0 FCADLP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C(F)(F)F)C1=O ZINC001099349516 844039141 /nfs/dbraw/zinc/03/91/41/844039141.db2.gz YHOQEQBSTUYFQY-GRYCIOLGSA-N 2 2 359.352 0.093 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100686295 844054560 /nfs/dbraw/zinc/05/45/60/844054560.db2.gz BYIQJUSSMAYCOH-NWINJMCUSA-N 2 2 354.476 0.053 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCCCN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000189298353 836024041 /nfs/dbraw/zinc/02/40/41/836024041.db2.gz BPCBQDHSTOKVQD-OALUTQOASA-N 2 2 356.555 0.154 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCCC[NH+]2CCN(C[C@H](C)O)CC2)CC1 ZINC000189298353 836024048 /nfs/dbraw/zinc/02/40/48/836024048.db2.gz BPCBQDHSTOKVQD-OALUTQOASA-N 2 2 356.555 0.154 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000747749752 836260147 /nfs/dbraw/zinc/26/01/47/836260147.db2.gz IEOPMCHCUZTQGH-MRXNPFEDSA-N 2 2 358.552 0.530 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000747749752 836260160 /nfs/dbraw/zinc/26/01/60/836260160.db2.gz IEOPMCHCUZTQGH-MRXNPFEDSA-N 2 2 358.552 0.530 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)C[C@@H]3CCCO3)C2)CC1 ZINC000884164010 836554027 /nfs/dbraw/zinc/55/40/27/836554027.db2.gz VNKAXBVVVWQYRX-UXLLHSPISA-N 2 2 354.495 0.384 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)C[C@@H]3CCCO3)C2)CC1 ZINC000884164010 836554033 /nfs/dbraw/zinc/55/40/33/836554033.db2.gz VNKAXBVVVWQYRX-UXLLHSPISA-N 2 2 354.495 0.384 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077781 837953995 /nfs/dbraw/zinc/95/39/95/837953995.db2.gz AHOAHPGTXGKUFZ-MLHJIOFPSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076077781 837953998 /nfs/dbraw/zinc/95/39/98/837953998.db2.gz AHOAHPGTXGKUFZ-MLHJIOFPSA-N 2 2 351.491 0.807 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633484 838034215 /nfs/dbraw/zinc/03/42/15/838034215.db2.gz PYRBPNPXBBKJHG-LSDHHAIUSA-N 2 2 361.471 0.648 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633484 838034227 /nfs/dbraw/zinc/03/42/27/838034227.db2.gz PYRBPNPXBBKJHG-LSDHHAIUSA-N 2 2 361.471 0.648 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838699 838129104 /nfs/dbraw/zinc/12/91/04/838129104.db2.gz IYURGIGHUGSYAU-RBSFLKMASA-N 2 2 361.433 0.304 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838699 838129108 /nfs/dbraw/zinc/12/91/08/838129108.db2.gz IYURGIGHUGSYAU-RBSFLKMASA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838699 838129112 /nfs/dbraw/zinc/12/91/12/838129112.db2.gz IYURGIGHUGSYAU-RBSFLKMASA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838699 838129116 /nfs/dbraw/zinc/12/91/16/838129116.db2.gz IYURGIGHUGSYAU-RBSFLKMASA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2O)n1 ZINC001077014250 838216667 /nfs/dbraw/zinc/21/66/67/838216667.db2.gz LTTJFNRMIKXLOG-HZPDHXFCSA-N 2 2 363.487 0.481 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O)n1 ZINC001077014250 838216675 /nfs/dbraw/zinc/21/66/75/838216675.db2.gz LTTJFNRMIKXLOG-HZPDHXFCSA-N 2 2 363.487 0.481 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001077146467 838768084 /nfs/dbraw/zinc/76/80/84/838768084.db2.gz RCKPINSRYQHTQI-BFHYXJOUSA-N 2 2 351.451 0.072 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001077146467 838768092 /nfs/dbraw/zinc/76/80/92/838768092.db2.gz RCKPINSRYQHTQI-BFHYXJOUSA-N 2 2 351.451 0.072 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077217842 838820560 /nfs/dbraw/zinc/82/05/60/838820560.db2.gz GUPFCLRAHAXMDR-BZUAXINKSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077217842 838820569 /nfs/dbraw/zinc/82/05/69/838820569.db2.gz GUPFCLRAHAXMDR-BZUAXINKSA-N 2 2 350.463 0.515 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)no1 ZINC001077275053 838867551 /nfs/dbraw/zinc/86/75/51/838867551.db2.gz PHMPVDAASOQLDU-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)no1 ZINC001077275053 838867560 /nfs/dbraw/zinc/86/75/60/838867560.db2.gz PHMPVDAASOQLDU-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077495797 838996111 /nfs/dbraw/zinc/99/61/11/838996111.db2.gz RLQIRSUYYUYNJH-BFHYXJOUSA-N 2 2 351.451 0.102 20 0 FCADLP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001077495797 838996123 /nfs/dbraw/zinc/99/61/23/838996123.db2.gz RLQIRSUYYUYNJH-BFHYXJOUSA-N 2 2 351.451 0.102 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001077679425 839106982 /nfs/dbraw/zinc/10/69/82/839106982.db2.gz QXHBUEMVZUVHTB-DAXOMENPSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001077679425 839106988 /nfs/dbraw/zinc/10/69/88/839106988.db2.gz QXHBUEMVZUVHTB-DAXOMENPSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cs1 ZINC001077679425 839106995 /nfs/dbraw/zinc/10/69/95/839106995.db2.gz QXHBUEMVZUVHTB-DAXOMENPSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cs1 ZINC001077679425 839107001 /nfs/dbraw/zinc/10/70/01/839107001.db2.gz QXHBUEMVZUVHTB-DAXOMENPSA-N 2 2 352.504 0.497 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778419 839152864 /nfs/dbraw/zinc/15/28/64/839152864.db2.gz ISNRDHKWZVPQHU-IAGOWNOFSA-N 2 2 350.463 0.630 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778419 839152869 /nfs/dbraw/zinc/15/28/69/839152869.db2.gz ISNRDHKWZVPQHU-IAGOWNOFSA-N 2 2 350.463 0.630 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077892764 839211870 /nfs/dbraw/zinc/21/18/70/839211870.db2.gz IXUZQSDTURTFMV-RBSFLKMASA-N 2 2 361.433 0.304 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077892764 839211879 /nfs/dbraw/zinc/21/18/79/839211879.db2.gz IXUZQSDTURTFMV-RBSFLKMASA-N 2 2 361.433 0.304 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001078007756 839290164 /nfs/dbraw/zinc/29/01/64/839290164.db2.gz ZMMAJHFKGFIQAR-ZACQAIPSSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001078007756 839290177 /nfs/dbraw/zinc/29/01/77/839290177.db2.gz ZMMAJHFKGFIQAR-ZACQAIPSSA-N 2 2 350.463 0.329 20 0 FCADLP CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231689 839496036 /nfs/dbraw/zinc/49/60/36/839496036.db2.gz XIQWRHHUKWGURF-GVDBMIGSSA-N 2 2 351.491 0.666 20 0 FCADLP CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231689 839496044 /nfs/dbraw/zinc/49/60/44/839496044.db2.gz XIQWRHHUKWGURF-GVDBMIGSSA-N 2 2 351.491 0.666 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494652 839535449 /nfs/dbraw/zinc/53/54/49/839535449.db2.gz KUGFJBFBRGKICB-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494652 839535460 /nfs/dbraw/zinc/53/54/60/839535460.db2.gz KUGFJBFBRGKICB-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494652 839535471 /nfs/dbraw/zinc/53/54/71/839535471.db2.gz KUGFJBFBRGKICB-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494652 839535480 /nfs/dbraw/zinc/53/54/80/839535480.db2.gz KUGFJBFBRGKICB-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848698 839607967 /nfs/dbraw/zinc/60/79/67/839607967.db2.gz HOAURSMJTBVDKT-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848698 839607973 /nfs/dbraw/zinc/60/79/73/839607973.db2.gz HOAURSMJTBVDKT-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848698 839607981 /nfs/dbraw/zinc/60/79/81/839607981.db2.gz HOAURSMJTBVDKT-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079848698 839607988 /nfs/dbraw/zinc/60/79/88/839607988.db2.gz HOAURSMJTBVDKT-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951504 839629769 /nfs/dbraw/zinc/62/97/69/839629769.db2.gz QPQWWZANSFGKEG-BQGCOEIASA-N 2 2 350.438 0.876 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951504 839629773 /nfs/dbraw/zinc/62/97/73/839629773.db2.gz QPQWWZANSFGKEG-BQGCOEIASA-N 2 2 350.438 0.876 20 0 FCADLP C[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951504 839629776 /nfs/dbraw/zinc/62/97/76/839629776.db2.gz QPQWWZANSFGKEG-BQGCOEIASA-N 2 2 350.438 0.876 20 0 FCADLP C[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951504 839629782 /nfs/dbraw/zinc/62/97/82/839629782.db2.gz QPQWWZANSFGKEG-BQGCOEIASA-N 2 2 350.438 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080979628 839853281 /nfs/dbraw/zinc/85/32/81/839853281.db2.gz VSZCVKXLDBKZSW-XYPHTWIQSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080979628 839853287 /nfs/dbraw/zinc/85/32/87/839853287.db2.gz VSZCVKXLDBKZSW-XYPHTWIQSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979628 839853291 /nfs/dbraw/zinc/85/32/91/839853291.db2.gz VSZCVKXLDBKZSW-XYPHTWIQSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979628 839853298 /nfs/dbraw/zinc/85/32/98/839853298.db2.gz VSZCVKXLDBKZSW-XYPHTWIQSA-N 2 2 350.463 0.894 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102419484 844490967 /nfs/dbraw/zinc/49/09/67/844490967.db2.gz HDEXLDVCTFPMBE-HUUCEWRRSA-N 2 2 370.519 0.735 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102419484 844490973 /nfs/dbraw/zinc/49/09/73/844490973.db2.gz HDEXLDVCTFPMBE-HUUCEWRRSA-N 2 2 370.519 0.735 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102482851 844521418 /nfs/dbraw/zinc/52/14/18/844521418.db2.gz MEOQEDUVHRRXMM-BFHYXJOUSA-N 2 2 356.492 0.317 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102482851 844521427 /nfs/dbraw/zinc/52/14/27/844521427.db2.gz MEOQEDUVHRRXMM-BFHYXJOUSA-N 2 2 356.492 0.317 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327677 840311163 /nfs/dbraw/zinc/31/11/63/840311163.db2.gz IVRZFNFMNQUXLN-ARFHVFGLSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327677 840311177 /nfs/dbraw/zinc/31/11/77/840311177.db2.gz IVRZFNFMNQUXLN-ARFHVFGLSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345976 840327718 /nfs/dbraw/zinc/32/77/18/840327718.db2.gz KOAPFUMJOFRSCB-DJIMGWMZSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345976 840327731 /nfs/dbraw/zinc/32/77/31/840327731.db2.gz KOAPFUMJOFRSCB-DJIMGWMZSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394914 840387623 /nfs/dbraw/zinc/38/76/23/840387623.db2.gz MKIKGHWDZASMSX-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394914 840387632 /nfs/dbraw/zinc/38/76/32/840387632.db2.gz MKIKGHWDZASMSX-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)s1 ZINC001082449681 840416484 /nfs/dbraw/zinc/41/64/84/840416484.db2.gz DWADCAGKSXWDQY-JHJVBQTASA-N 2 2 353.492 0.968 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)s1 ZINC001082449681 840416494 /nfs/dbraw/zinc/41/64/94/840416494.db2.gz DWADCAGKSXWDQY-JHJVBQTASA-N 2 2 353.492 0.968 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)CS(C)(=O)=O ZINC001102513657 844544958 /nfs/dbraw/zinc/54/49/58/844544958.db2.gz VWXWFEBJHBFVDC-RBSFLKMASA-N 2 2 370.519 0.327 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)CS(C)(=O)=O ZINC001102513657 844544959 /nfs/dbraw/zinc/54/49/59/844544959.db2.gz VWXWFEBJHBFVDC-RBSFLKMASA-N 2 2 370.519 0.327 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082653559 840512486 /nfs/dbraw/zinc/51/24/86/840512486.db2.gz QWWMMHCUQHSKFH-HDNNOUGTSA-N 2 2 363.487 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082653559 840512496 /nfs/dbraw/zinc/51/24/96/840512496.db2.gz QWWMMHCUQHSKFH-HDNNOUGTSA-N 2 2 363.487 0.338 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001082884213 840590913 /nfs/dbraw/zinc/59/09/13/840590913.db2.gz IMYPHDFPMUCNPZ-IVMMDQJWSA-N 2 2 368.503 0.522 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001082923673 840604939 /nfs/dbraw/zinc/60/49/39/840604939.db2.gz WSKJOLCVCLDSEW-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082940210 840615564 /nfs/dbraw/zinc/61/55/64/840615564.db2.gz JQIBUHKLTVHUSM-BPLDGKMQSA-N 2 2 362.499 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082940210 840615567 /nfs/dbraw/zinc/61/55/67/840615567.db2.gz JQIBUHKLTVHUSM-BPLDGKMQSA-N 2 2 362.499 0.431 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579674 844574486 /nfs/dbraw/zinc/57/44/86/844574486.db2.gz JJFULYYDQBYINC-ZIAGYGMSSA-N 2 2 365.503 0.862 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579674 844574491 /nfs/dbraw/zinc/57/44/91/844574491.db2.gz JJFULYYDQBYINC-ZIAGYGMSSA-N 2 2 365.503 0.862 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC001102579835 844574540 /nfs/dbraw/zinc/57/45/40/844574540.db2.gz RYICNXSNZZZNHF-ZIAGYGMSSA-N 2 2 351.451 0.496 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC001102579835 844574543 /nfs/dbraw/zinc/57/45/43/844574543.db2.gz RYICNXSNZZZNHF-ZIAGYGMSSA-N 2 2 351.451 0.496 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083475053 841049955 /nfs/dbraw/zinc/04/99/55/841049955.db2.gz OZEMQKDTCIYVPK-JJXSEGSLSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@@H]2O)CC[N@H+]1C ZINC001083475053 841049966 /nfs/dbraw/zinc/04/99/66/841049966.db2.gz OZEMQKDTCIYVPK-JJXSEGSLSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@@H]2O)CC[NH+]1C ZINC001083475053 841049978 /nfs/dbraw/zinc/04/99/78/841049978.db2.gz OZEMQKDTCIYVPK-JJXSEGSLSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@@H]2O)CC[NH+]1C ZINC001083475053 841049992 /nfs/dbraw/zinc/04/99/92/841049992.db2.gz OZEMQKDTCIYVPK-JJXSEGSLSA-N 2 2 350.463 0.683 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616747 844605405 /nfs/dbraw/zinc/60/54/05/844605405.db2.gz QCERLZFKLDRKDA-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616747 844605407 /nfs/dbraw/zinc/60/54/07/844605407.db2.gz QCERLZFKLDRKDA-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521778 841118613 /nfs/dbraw/zinc/11/86/13/841118613.db2.gz HENHCESBYTWZDX-BMFZPTHFSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521778 841118616 /nfs/dbraw/zinc/11/86/16/841118616.db2.gz HENHCESBYTWZDX-BMFZPTHFSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521778 841118620 /nfs/dbraw/zinc/11/86/20/841118620.db2.gz HENHCESBYTWZDX-BMFZPTHFSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521778 841118623 /nfs/dbraw/zinc/11/86/23/841118623.db2.gz HENHCESBYTWZDX-BMFZPTHFSA-N 2 2 352.504 0.782 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521943 841119837 /nfs/dbraw/zinc/11/98/37/841119837.db2.gz NANHIPSJLIUFLE-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521943 841119845 /nfs/dbraw/zinc/11/98/45/841119845.db2.gz NANHIPSJLIUFLE-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521943 841119856 /nfs/dbraw/zinc/11/98/56/841119856.db2.gz NANHIPSJLIUFLE-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521943 841119866 /nfs/dbraw/zinc/11/98/66/841119866.db2.gz NANHIPSJLIUFLE-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573272 841187084 /nfs/dbraw/zinc/18/70/84/841187084.db2.gz DKMVQCWARYYSIQ-PMPSAXMXSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573272 841187087 /nfs/dbraw/zinc/18/70/87/841187087.db2.gz DKMVQCWARYYSIQ-PMPSAXMXSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573272 841187091 /nfs/dbraw/zinc/18/70/91/841187091.db2.gz DKMVQCWARYYSIQ-PMPSAXMXSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573272 841187094 /nfs/dbraw/zinc/18/70/94/841187094.db2.gz DKMVQCWARYYSIQ-PMPSAXMXSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001275799330 861194175 /nfs/dbraw/zinc/19/41/75/861194175.db2.gz KJDZMHQQFYGNQZ-HNNXBMFYSA-N 2 2 364.515 0.943 20 0 FCADLP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001275799330 861194176 /nfs/dbraw/zinc/19/41/76/861194176.db2.gz KJDZMHQQFYGNQZ-HNNXBMFYSA-N 2 2 364.515 0.943 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001275799803 861196376 /nfs/dbraw/zinc/19/63/76/861196376.db2.gz NTLOHQGCZORLDF-ILXRZTDVSA-N 2 2 350.488 0.693 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001275799803 861196383 /nfs/dbraw/zinc/19/63/83/861196383.db2.gz NTLOHQGCZORLDF-ILXRZTDVSA-N 2 2 350.488 0.693 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001275799803 861196390 /nfs/dbraw/zinc/19/63/90/861196390.db2.gz NTLOHQGCZORLDF-ILXRZTDVSA-N 2 2 350.488 0.693 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001275799803 861196400 /nfs/dbraw/zinc/19/64/00/861196400.db2.gz NTLOHQGCZORLDF-ILXRZTDVSA-N 2 2 350.488 0.693 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083749931 841392723 /nfs/dbraw/zinc/39/27/23/841392723.db2.gz XKWDEGYXSBFMSZ-CABCVRRESA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083749931 841392735 /nfs/dbraw/zinc/39/27/35/841392735.db2.gz XKWDEGYXSBFMSZ-CABCVRRESA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083781619 841431083 /nfs/dbraw/zinc/43/10/83/841431083.db2.gz OXYPYOGETXSDRR-YUELXQCFSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083781619 841431093 /nfs/dbraw/zinc/43/10/93/841431093.db2.gz OXYPYOGETXSDRR-YUELXQCFSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083781619 841431102 /nfs/dbraw/zinc/43/11/02/841431102.db2.gz OXYPYOGETXSDRR-YUELXQCFSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083781619 841431111 /nfs/dbraw/zinc/43/11/11/841431111.db2.gz OXYPYOGETXSDRR-YUELXQCFSA-N 2 2 350.463 0.549 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782719 841431989 /nfs/dbraw/zinc/43/19/89/841431989.db2.gz IXRMCCSKUNBTPE-CABCVRRESA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782719 841431994 /nfs/dbraw/zinc/43/19/94/841431994.db2.gz IXRMCCSKUNBTPE-CABCVRRESA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782719 841431999 /nfs/dbraw/zinc/43/19/99/841431999.db2.gz IXRMCCSKUNBTPE-CABCVRRESA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782719 841432002 /nfs/dbraw/zinc/43/20/02/841432002.db2.gz IXRMCCSKUNBTPE-CABCVRRESA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887966 841536350 /nfs/dbraw/zinc/53/63/50/841536350.db2.gz UCRMRZITGJDVJY-SJORKVTESA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887966 841536359 /nfs/dbraw/zinc/53/63/59/841536359.db2.gz UCRMRZITGJDVJY-SJORKVTESA-N 2 2 350.463 0.685 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908483 841555579 /nfs/dbraw/zinc/55/55/79/841555579.db2.gz GEVIOKXTNLFYIA-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908483 841555590 /nfs/dbraw/zinc/55/55/90/841555590.db2.gz GEVIOKXTNLFYIA-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)O1 ZINC001084447568 841796494 /nfs/dbraw/zinc/79/64/94/841796494.db2.gz UBZLBBTZJGZCRT-MUIFIZLQSA-N 2 2 364.515 0.937 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)O1 ZINC001084447568 841796497 /nfs/dbraw/zinc/79/64/97/841796497.db2.gz UBZLBBTZJGZCRT-MUIFIZLQSA-N 2 2 364.515 0.937 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)O1 ZINC001084447568 841796500 /nfs/dbraw/zinc/79/65/00/841796500.db2.gz UBZLBBTZJGZCRT-MUIFIZLQSA-N 2 2 364.515 0.937 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccns4)C[C@H]32)O1 ZINC001084447568 841796504 /nfs/dbraw/zinc/79/65/04/841796504.db2.gz UBZLBBTZJGZCRT-MUIFIZLQSA-N 2 2 364.515 0.937 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877372 861239898 /nfs/dbraw/zinc/23/98/98/861239898.db2.gz AZSLYKDCILGPKX-VQIMIIECSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877372 861239907 /nfs/dbraw/zinc/23/99/07/861239907.db2.gz AZSLYKDCILGPKX-VQIMIIECSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877372 861239920 /nfs/dbraw/zinc/23/99/20/861239920.db2.gz AZSLYKDCILGPKX-VQIMIIECSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877372 861239937 /nfs/dbraw/zinc/23/99/37/861239937.db2.gz AZSLYKDCILGPKX-VQIMIIECSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877369 861240631 /nfs/dbraw/zinc/24/06/31/861240631.db2.gz AZSLYKDCILGPKX-QFBILLFUSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877369 861240646 /nfs/dbraw/zinc/24/06/46/861240646.db2.gz AZSLYKDCILGPKX-QFBILLFUSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877369 861240656 /nfs/dbraw/zinc/24/06/56/861240656.db2.gz AZSLYKDCILGPKX-QFBILLFUSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877369 861240672 /nfs/dbraw/zinc/24/06/72/861240672.db2.gz AZSLYKDCILGPKX-QFBILLFUSA-N 3 2 350.507 0.731 20 0 FCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)[C@@H]2C1 ZINC001084694514 841885699 /nfs/dbraw/zinc/88/56/99/841885699.db2.gz HWMGYUWHDAVQAF-BRWVUGGUSA-N 2 2 351.491 0.545 20 0 FCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)[C@@H]2C1 ZINC001084694514 841885709 /nfs/dbraw/zinc/88/57/09/841885709.db2.gz HWMGYUWHDAVQAF-BRWVUGGUSA-N 2 2 351.491 0.545 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001084767999 841911888 /nfs/dbraw/zinc/91/18/88/841911888.db2.gz RPEQFOCQXKKBES-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001084767999 841911894 /nfs/dbraw/zinc/91/18/94/841911894.db2.gz RPEQFOCQXKKBES-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001084767999 841911904 /nfs/dbraw/zinc/91/19/04/841911904.db2.gz RPEQFOCQXKKBES-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001084767999 841911910 /nfs/dbraw/zinc/91/19/10/841911910.db2.gz RPEQFOCQXKKBES-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001085152949 842028790 /nfs/dbraw/zinc/02/87/90/842028790.db2.gz XHPGISMCZUPOAK-MCIONIFRSA-N 2 2 350.467 0.747 20 0 FCADLP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001085152949 842028804 /nfs/dbraw/zinc/02/88/04/842028804.db2.gz XHPGISMCZUPOAK-MCIONIFRSA-N 2 2 350.467 0.747 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001085158938 842030242 /nfs/dbraw/zinc/03/02/42/842030242.db2.gz BSERSMIDBKNFAG-RBSFLKMASA-N 2 2 352.435 0.531 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001085158938 842030254 /nfs/dbraw/zinc/03/02/54/842030254.db2.gz BSERSMIDBKNFAG-RBSFLKMASA-N 2 2 352.435 0.531 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001085375086 842090323 /nfs/dbraw/zinc/09/03/23/842090323.db2.gz YVXNPFZZHDNYNC-RRFJBIMHSA-N 2 2 368.503 0.794 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001086879853 842190083 /nfs/dbraw/zinc/19/00/83/842190083.db2.gz BVARNZZUFUXTSM-GUTXKFCHSA-N 2 2 353.492 0.633 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001086879853 842190088 /nfs/dbraw/zinc/19/00/88/842190088.db2.gz BVARNZZUFUXTSM-GUTXKFCHSA-N 2 2 353.492 0.633 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087096750 842286099 /nfs/dbraw/zinc/28/60/99/842286099.db2.gz ATCDLZXNUAPDOY-IUODEOHRSA-N 2 2 364.475 0.467 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001087104052 842292289 /nfs/dbraw/zinc/29/22/89/842292289.db2.gz NDOWIOOZBMXTGW-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725198 842415908 /nfs/dbraw/zinc/41/59/08/842415908.db2.gz GGVSRKLRCSWNMJ-MELADBBJSA-N 2 2 350.467 0.062 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725198 842415914 /nfs/dbraw/zinc/41/59/14/842415914.db2.gz GGVSRKLRCSWNMJ-MELADBBJSA-N 2 2 350.467 0.062 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725198 842415918 /nfs/dbraw/zinc/41/59/18/842415918.db2.gz GGVSRKLRCSWNMJ-MELADBBJSA-N 2 2 350.467 0.062 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087725198 842415923 /nfs/dbraw/zinc/41/59/23/842415923.db2.gz GGVSRKLRCSWNMJ-MELADBBJSA-N 2 2 350.467 0.062 20 0 FCADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088208491 842560986 /nfs/dbraw/zinc/56/09/86/842560986.db2.gz CPSDMPTYEXXUTN-SQNIBIBYSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088208491 842560994 /nfs/dbraw/zinc/56/09/94/842560994.db2.gz CPSDMPTYEXXUTN-SQNIBIBYSA-N 2 2 351.491 0.260 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088219753 842564152 /nfs/dbraw/zinc/56/41/52/842564152.db2.gz UKXQTWDGDREGON-OAGGEKHMSA-N 2 2 366.487 0.098 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088219753 842564157 /nfs/dbraw/zinc/56/41/57/842564157.db2.gz UKXQTWDGDREGON-OAGGEKHMSA-N 2 2 366.487 0.098 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088859929 842697379 /nfs/dbraw/zinc/69/73/79/842697379.db2.gz QAZVFWPXZVKGOJ-UXLLHSPISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088859929 842697388 /nfs/dbraw/zinc/69/73/88/842697388.db2.gz QAZVFWPXZVKGOJ-UXLLHSPISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001088859929 842697397 /nfs/dbraw/zinc/69/73/97/842697397.db2.gz QAZVFWPXZVKGOJ-UXLLHSPISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001088859929 842697401 /nfs/dbraw/zinc/69/74/01/842697401.db2.gz QAZVFWPXZVKGOJ-UXLLHSPISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001091096843 842960033 /nfs/dbraw/zinc/96/00/33/842960033.db2.gz ANRUPGSWDRVQNU-NEQJSVFRSA-N 2 2 369.897 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001091096843 842960039 /nfs/dbraw/zinc/96/00/39/842960039.db2.gz ANRUPGSWDRVQNU-NEQJSVFRSA-N 2 2 369.897 0.777 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001091097543 842962062 /nfs/dbraw/zinc/96/20/62/842962062.db2.gz RDDGBDRGEPVMMT-BLYZHGLHSA-N 2 2 367.519 0.804 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001091097543 842962066 /nfs/dbraw/zinc/96/20/66/842962066.db2.gz RDDGBDRGEPVMMT-BLYZHGLHSA-N 2 2 367.519 0.804 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092524268 843230616 /nfs/dbraw/zinc/23/06/16/843230616.db2.gz VJWWLFOAQPYYMY-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)s1 ZINC001092524268 843230627 /nfs/dbraw/zinc/23/06/27/843230627.db2.gz VJWWLFOAQPYYMY-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092524268 843230637 /nfs/dbraw/zinc/23/06/37/843230637.db2.gz VJWWLFOAQPYYMY-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)s1 ZINC001092524268 843230646 /nfs/dbraw/zinc/23/06/46/843230646.db2.gz VJWWLFOAQPYYMY-YUELXQCFSA-N 2 2 352.504 0.966 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753790 843292125 /nfs/dbraw/zinc/29/21/25/843292125.db2.gz WHXAUWWBJOXKJP-LALPHHSUSA-N 2 2 351.451 0.298 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753790 843292136 /nfs/dbraw/zinc/29/21/36/843292136.db2.gz WHXAUWWBJOXKJP-LALPHHSUSA-N 2 2 351.451 0.298 20 0 FCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001092855467 843321523 /nfs/dbraw/zinc/32/15/23/843321523.db2.gz MQCOSILBDAVBMF-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001092855467 843321532 /nfs/dbraw/zinc/32/15/32/843321532.db2.gz MQCOSILBDAVBMF-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001092855467 843321543 /nfs/dbraw/zinc/32/15/43/843321543.db2.gz MQCOSILBDAVBMF-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001092855467 843321553 /nfs/dbraw/zinc/32/15/53/843321553.db2.gz MQCOSILBDAVBMF-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209051 843408874 /nfs/dbraw/zinc/40/88/74/843408874.db2.gz QAPQAOAHAALRRX-MGPQQGTHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209051 843408876 /nfs/dbraw/zinc/40/88/76/843408876.db2.gz QAPQAOAHAALRRX-MGPQQGTHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209051 843408880 /nfs/dbraw/zinc/40/88/80/843408880.db2.gz QAPQAOAHAALRRX-MGPQQGTHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001093209051 843408882 /nfs/dbraw/zinc/40/88/82/843408882.db2.gz QAPQAOAHAALRRX-MGPQQGTHSA-N 2 2 353.492 0.443 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093471005 843439596 /nfs/dbraw/zinc/43/95/96/843439596.db2.gz BMKGCIIYASNOEE-LMSBXDPUSA-N 2 2 352.454 0.898 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(OC3C[NH+](CC4CC4)C3)CC2)O1 ZINC001093545773 843442106 /nfs/dbraw/zinc/44/21/06/843442106.db2.gz QSKDATGTQXJRFW-RDTXWAMCSA-N 2 2 351.491 0.807 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(OC3C[NH+](CC4CC4)C3)CC2)O1 ZINC001093545773 843442109 /nfs/dbraw/zinc/44/21/09/843442109.db2.gz QSKDATGTQXJRFW-RDTXWAMCSA-N 2 2 351.491 0.807 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001095242451 843711094 /nfs/dbraw/zinc/71/10/94/843711094.db2.gz PJNZQMNQBOFWOK-QZWWFDLISA-N 2 2 369.531 0.627 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001095242451 843711098 /nfs/dbraw/zinc/71/10/98/843711098.db2.gz PJNZQMNQBOFWOK-QZWWFDLISA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001095242451 843711107 /nfs/dbraw/zinc/71/11/07/843711107.db2.gz PJNZQMNQBOFWOK-QZWWFDLISA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001095242451 843711112 /nfs/dbraw/zinc/71/11/12/843711112.db2.gz PJNZQMNQBOFWOK-QZWWFDLISA-N 2 2 369.531 0.627 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3cnc(F)cn3)CC2)CC[N@@H+]1C ZINC001096305653 843790014 /nfs/dbraw/zinc/79/00/14/843790014.db2.gz GDTBLIFDGDTOCN-ZIAGYGMSSA-N 2 2 350.442 0.194 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3cnc(F)cn3)CC2)CC[N@H+]1C ZINC001096305653 843790021 /nfs/dbraw/zinc/79/00/21/843790021.db2.gz GDTBLIFDGDTOCN-ZIAGYGMSSA-N 2 2 350.442 0.194 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ncc(Cl)cn3)CC2)CC[N@@H+]1C ZINC001096305763 843790108 /nfs/dbraw/zinc/79/01/08/843790108.db2.gz KZQYZPPKCJMSOY-UKRRQHHQSA-N 2 2 366.897 0.708 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ncc(Cl)cn3)CC2)CC[N@H+]1C ZINC001096305763 843790114 /nfs/dbraw/zinc/79/01/14/843790114.db2.gz KZQYZPPKCJMSOY-UKRRQHHQSA-N 2 2 366.897 0.708 20 0 FCADLP COCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398527 843914943 /nfs/dbraw/zinc/91/49/43/843914943.db2.gz YYZJFOHPRWUQIF-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP COCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398527 843914953 /nfs/dbraw/zinc/91/49/53/843914953.db2.gz YYZJFOHPRWUQIF-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP COCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398527 843914963 /nfs/dbraw/zinc/91/49/63/843914963.db2.gz YYZJFOHPRWUQIF-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP COCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398527 843914972 /nfs/dbraw/zinc/91/49/72/843914972.db2.gz YYZJFOHPRWUQIF-HZPDHXFCSA-N 2 2 350.463 0.835 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC2CCOCC2)C3)C1 ZINC001098773419 843935214 /nfs/dbraw/zinc/93/52/14/843935214.db2.gz HMMBYUCZEPXKCP-SCTDSRPQSA-N 2 2 351.491 0.714 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC2CCOCC2)C3)C1 ZINC001098773419 843935216 /nfs/dbraw/zinc/93/52/16/843935216.db2.gz HMMBYUCZEPXKCP-SCTDSRPQSA-N 2 2 351.491 0.714 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CCOCC2)C3)C1 ZINC001098773419 843935218 /nfs/dbraw/zinc/93/52/18/843935218.db2.gz HMMBYUCZEPXKCP-SCTDSRPQSA-N 2 2 351.491 0.714 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCOCC2)C3)C1 ZINC001098773419 843935220 /nfs/dbraw/zinc/93/52/20/843935220.db2.gz HMMBYUCZEPXKCP-SCTDSRPQSA-N 2 2 351.491 0.714 20 0 FCADLP CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001098955394 843950886 /nfs/dbraw/zinc/95/08/86/843950886.db2.gz PYSPVEBWRQIQJP-ZMMAXQRCSA-N 2 2 351.491 0.857 20 0 FCADLP CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001098955394 843950895 /nfs/dbraw/zinc/95/08/95/843950895.db2.gz PYSPVEBWRQIQJP-ZMMAXQRCSA-N 2 2 351.491 0.857 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C(F)(F)F)nn1 ZINC001099223000 843978931 /nfs/dbraw/zinc/97/89/31/843978931.db2.gz BNVAQUVOBKETIA-UPJWGTAASA-N 2 2 360.384 0.388 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C(F)(F)F)nn1 ZINC001099223000 843978933 /nfs/dbraw/zinc/97/89/33/843978933.db2.gz BNVAQUVOBKETIA-UPJWGTAASA-N 2 2 360.384 0.388 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819412 844653188 /nfs/dbraw/zinc/65/31/88/844653188.db2.gz SQLLDWFDAHTCRS-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001102819412 844653190 /nfs/dbraw/zinc/65/31/90/844653190.db2.gz SQLLDWFDAHTCRS-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001102819412 844653193 /nfs/dbraw/zinc/65/31/93/844653193.db2.gz SQLLDWFDAHTCRS-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001102819412 844653198 /nfs/dbraw/zinc/65/31/98/844653198.db2.gz SQLLDWFDAHTCRS-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103069028 844696465 /nfs/dbraw/zinc/69/64/65/844696465.db2.gz QMWHFUBKVZPPAF-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103069028 844696468 /nfs/dbraw/zinc/69/64/68/844696468.db2.gz QMWHFUBKVZPPAF-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740407 844813825 /nfs/dbraw/zinc/81/38/25/844813825.db2.gz GRMYIQSBCCFEER-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740407 844813830 /nfs/dbraw/zinc/81/38/30/844813830.db2.gz GRMYIQSBCCFEER-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740407 844813832 /nfs/dbraw/zinc/81/38/32/844813832.db2.gz GRMYIQSBCCFEER-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740407 844813836 /nfs/dbraw/zinc/81/38/36/844813836.db2.gz GRMYIQSBCCFEER-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001103742642 844814059 /nfs/dbraw/zinc/81/40/59/844814059.db2.gz PFOUVRSJVCUNOX-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001103742642 844814063 /nfs/dbraw/zinc/81/40/63/844814063.db2.gz PFOUVRSJVCUNOX-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001104033636 844856779 /nfs/dbraw/zinc/85/67/79/844856779.db2.gz AMDCEFXVUYFSHC-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001104033636 844856787 /nfs/dbraw/zinc/85/67/87/844856787.db2.gz AMDCEFXVUYFSHC-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104346443 844895826 /nfs/dbraw/zinc/89/58/26/844895826.db2.gz BARNVTJHYUCZKX-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104346443 844895832 /nfs/dbraw/zinc/89/58/32/844895832.db2.gz BARNVTJHYUCZKX-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966900 844963579 /nfs/dbraw/zinc/96/35/79/844963579.db2.gz KCOMOLPPVOWTJQ-INMHGKMJSA-N 2 2 352.479 0.434 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1CC[NH2+]CCCO ZINC001105041732 844974076 /nfs/dbraw/zinc/97/40/76/844974076.db2.gz IKOPZVVHXQSTEA-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2[nH]cc[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668799 845014939 /nfs/dbraw/zinc/01/49/39/845014939.db2.gz ZUKWBTOLOFYCAQ-KNCCTNLNSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105674581 845016935 /nfs/dbraw/zinc/01/69/35/845016935.db2.gz ZTHAUIZAGNSRQD-XYVMCAHJSA-N 2 2 350.463 0.232 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106340277 845159291 /nfs/dbraw/zinc/15/92/91/845159291.db2.gz RBZQQUMQWIXSIT-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461830 845177796 /nfs/dbraw/zinc/17/77/96/845177796.db2.gz ONZCTPCCLJZDQI-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C[NH2+]CCCO ZINC001106575026 845198285 /nfs/dbraw/zinc/19/82/85/845198285.db2.gz TVGCNSWIDNLALE-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C[NH2+]CCCO ZINC001106575026 845198295 /nfs/dbraw/zinc/19/82/95/845198295.db2.gz TVGCNSWIDNLALE-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106705020 845229204 /nfs/dbraw/zinc/22/92/04/845229204.db2.gz NOULSZXKAXOAJI-ZIAGYGMSSA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001106801251 845256698 /nfs/dbraw/zinc/25/66/98/845256698.db2.gz YIOKWDLCJIFDHU-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078662 845326437 /nfs/dbraw/zinc/32/64/37/845326437.db2.gz JCTQXIHTRNINEJ-ZACQAIPSSA-N 2 2 352.479 0.601 20 0 FCADLP COC[C@@H](C(=O)OC)[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276727744 861557775 /nfs/dbraw/zinc/55/77/75/861557775.db2.gz SJUJMTOTSHOZAK-WMLDXEAASA-N 2 2 350.419 0.033 20 0 FCADLP COC[C@@H](C(=O)OC)[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276727744 861557781 /nfs/dbraw/zinc/55/77/81/861557781.db2.gz SJUJMTOTSHOZAK-WMLDXEAASA-N 2 2 350.419 0.033 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(CC2CCOCC2)C(=O)CO3)CC1 ZINC001276755962 861580628 /nfs/dbraw/zinc/58/06/28/861580628.db2.gz CYCFIIMJGRYDMH-LJQANCHMSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(CC2CCOCC2)C(=O)CO3)CC1 ZINC001276755962 861580642 /nfs/dbraw/zinc/58/06/42/861580642.db2.gz CYCFIIMJGRYDMH-LJQANCHMSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(CC2CCOCC2)C(=O)CO3)CC1 ZINC001276755961 861581835 /nfs/dbraw/zinc/58/18/35/861581835.db2.gz CYCFIIMJGRYDMH-IBGZPJMESA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(CC2CCOCC2)C(=O)CO3)CC1 ZINC001276755961 861581850 /nfs/dbraw/zinc/58/18/50/861581850.db2.gz CYCFIIMJGRYDMH-IBGZPJMESA-N 2 2 351.491 0.811 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276758290 861584722 /nfs/dbraw/zinc/58/47/22/861584722.db2.gz WHRQANVNNPCSEB-SFHVURJKSA-N 2 2 353.463 0.336 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276758290 861584730 /nfs/dbraw/zinc/58/47/30/861584730.db2.gz WHRQANVNNPCSEB-SFHVURJKSA-N 2 2 353.463 0.336 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758964 861584773 /nfs/dbraw/zinc/58/47/73/861584773.db2.gz XTXXMSDIBUVGMR-RDTXWAMCSA-N 2 2 350.463 0.186 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758964 861584782 /nfs/dbraw/zinc/58/47/82/861584782.db2.gz XTXXMSDIBUVGMR-RDTXWAMCSA-N 2 2 350.463 0.186 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109362810 845630155 /nfs/dbraw/zinc/63/01/55/845630155.db2.gz FXDDPHFEYOTNGV-UGUYLWEFSA-N 2 2 354.470 0.666 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109362810 845630158 /nfs/dbraw/zinc/63/01/58/845630158.db2.gz FXDDPHFEYOTNGV-UGUYLWEFSA-N 2 2 354.470 0.666 20 0 FCADLP CCCCN1CCC2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001276761726 861588059 /nfs/dbraw/zinc/58/80/59/861588059.db2.gz GBRIHPOYUOYJFM-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001109402432 845645952 /nfs/dbraw/zinc/64/59/52/845645952.db2.gz QMRFBZFOIGVKDI-AESZEHBQSA-N 2 2 350.507 0.963 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001109402432 845645957 /nfs/dbraw/zinc/64/59/57/845645957.db2.gz QMRFBZFOIGVKDI-AESZEHBQSA-N 2 2 350.507 0.963 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001109651232 845705190 /nfs/dbraw/zinc/70/51/90/845705190.db2.gz PVHGYRQCOVMGBH-WCVJEAGWSA-N 2 2 371.547 0.730 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001109651232 845705196 /nfs/dbraw/zinc/70/51/96/845705196.db2.gz PVHGYRQCOVMGBH-WCVJEAGWSA-N 2 2 371.547 0.730 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671530 845711692 /nfs/dbraw/zinc/71/16/92/845711692.db2.gz NTDRCQPMEHGQKR-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671530 845711699 /nfs/dbraw/zinc/71/16/99/845711699.db2.gz NTDRCQPMEHGQKR-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109864959 845750509 /nfs/dbraw/zinc/75/05/09/845750509.db2.gz CSKGAWMHHIMOMP-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001109864959 845750512 /nfs/dbraw/zinc/75/05/12/845750512.db2.gz CSKGAWMHHIMOMP-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001110693729 845949160 /nfs/dbraw/zinc/94/91/60/845949160.db2.gz RAWAMXRYIMTFRL-WCVJEAGWSA-N 2 2 374.551 0.186 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001110693729 845949165 /nfs/dbraw/zinc/94/91/65/845949165.db2.gz RAWAMXRYIMTFRL-WCVJEAGWSA-N 2 2 374.551 0.186 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110719194 845955170 /nfs/dbraw/zinc/95/51/70/845955170.db2.gz MZIABVUKIQIMFJ-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110719194 845955173 /nfs/dbraw/zinc/95/51/73/845955173.db2.gz MZIABVUKIQIMFJ-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001110719194 845955176 /nfs/dbraw/zinc/95/51/76/845955176.db2.gz MZIABVUKIQIMFJ-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001110719194 845955179 /nfs/dbraw/zinc/95/51/79/845955179.db2.gz MZIABVUKIQIMFJ-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754158 845967287 /nfs/dbraw/zinc/96/72/87/845967287.db2.gz HDSTZOCWYRODRZ-WCXIOVBPSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001110754158 845967291 /nfs/dbraw/zinc/96/72/91/845967291.db2.gz HDSTZOCWYRODRZ-WCXIOVBPSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754158 845967300 /nfs/dbraw/zinc/96/73/00/845967300.db2.gz HDSTZOCWYRODRZ-WCXIOVBPSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001110754158 845967307 /nfs/dbraw/zinc/96/73/07/845967307.db2.gz HDSTZOCWYRODRZ-WCXIOVBPSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961590 846002038 /nfs/dbraw/zinc/00/20/38/846002038.db2.gz AAVNLUDOHIZAIQ-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961590 846002047 /nfs/dbraw/zinc/00/20/47/846002047.db2.gz AAVNLUDOHIZAIQ-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001111235059 846066015 /nfs/dbraw/zinc/06/60/15/846066015.db2.gz XEUHSXSLDOIBGT-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001111235059 846066022 /nfs/dbraw/zinc/06/60/22/846066022.db2.gz XEUHSXSLDOIBGT-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111235059 846066029 /nfs/dbraw/zinc/06/60/29/846066029.db2.gz XEUHSXSLDOIBGT-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111235059 846066036 /nfs/dbraw/zinc/06/60/36/846066036.db2.gz XEUHSXSLDOIBGT-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280040 846077265 /nfs/dbraw/zinc/07/72/65/846077265.db2.gz MFEVFUOWNJDNOS-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280040 846077271 /nfs/dbraw/zinc/07/72/71/846077271.db2.gz MFEVFUOWNJDNOS-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001111309045 846082708 /nfs/dbraw/zinc/08/27/08/846082708.db2.gz IRHFWJSUULWOKJ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001111309045 846082711 /nfs/dbraw/zinc/08/27/11/846082711.db2.gz IRHFWJSUULWOKJ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001111309045 846082722 /nfs/dbraw/zinc/08/27/22/846082722.db2.gz IRHFWJSUULWOKJ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001111309045 846082728 /nfs/dbraw/zinc/08/27/28/846082728.db2.gz IRHFWJSUULWOKJ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111502702 846127615 /nfs/dbraw/zinc/12/76/15/846127615.db2.gz QUYBGCQDBYAJCH-VQHPVUNQSA-N 2 2 350.463 0.638 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111502702 846127622 /nfs/dbraw/zinc/12/76/22/846127622.db2.gz QUYBGCQDBYAJCH-VQHPVUNQSA-N 2 2 350.463 0.638 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658706 846167910 /nfs/dbraw/zinc/16/79/10/846167910.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658706 846167921 /nfs/dbraw/zinc/16/79/21/846167921.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658706 846167928 /nfs/dbraw/zinc/16/79/28/846167928.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658706 846167931 /nfs/dbraw/zinc/16/79/31/846167931.db2.gz MHZLIZNEPUVVOV-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112123499 846401312 /nfs/dbraw/zinc/40/13/12/846401312.db2.gz MPVKKQFKPKFESX-JHJVBQTASA-N 2 2 360.380 0.807 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112171488 846433416 /nfs/dbraw/zinc/43/34/16/846433416.db2.gz LKTJNCAIZALSJW-IJLUTSLNSA-N 2 2 361.368 0.559 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112193027 846451447 /nfs/dbraw/zinc/45/14/47/846451447.db2.gz GQAJIQMJHJDUBI-YUSALJHKSA-N 2 2 361.368 0.076 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(F)(F)F)C[C@H]32)CC[N@@H+]1C ZINC001114299678 846550257 /nfs/dbraw/zinc/55/02/57/846550257.db2.gz XOIZOERJTWDSMY-SSKLVLDBSA-N 2 2 362.396 0.052 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC(F)(F)F)C[C@H]32)CC[N@H+]1C ZINC001114299678 846550264 /nfs/dbraw/zinc/55/02/64/846550264.db2.gz XOIZOERJTWDSMY-SSKLVLDBSA-N 2 2 362.396 0.052 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]32)CC[NH+]1C ZINC001114299678 846550269 /nfs/dbraw/zinc/55/02/69/846550269.db2.gz XOIZOERJTWDSMY-SSKLVLDBSA-N 2 2 362.396 0.052 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]32)CC[NH+]1C ZINC001114299678 846550278 /nfs/dbraw/zinc/55/02/78/846550278.db2.gz XOIZOERJTWDSMY-SSKLVLDBSA-N 2 2 362.396 0.052 20 0 FCADLP CS(=O)(=O)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580740 846562345 /nfs/dbraw/zinc/56/23/45/846562345.db2.gz MCNDNTWTURTXPD-ZIAGYGMSSA-N 2 2 368.503 0.967 20 0 FCADLP CS(=O)(=O)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580740 846562352 /nfs/dbraw/zinc/56/23/52/846562352.db2.gz MCNDNTWTURTXPD-ZIAGYGMSSA-N 2 2 368.503 0.967 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CCSCC3)C2)CC1 ZINC001117157267 846915658 /nfs/dbraw/zinc/91/56/58/846915658.db2.gz JFGZMSPXEAXCPX-CQSZACIVSA-N 2 2 354.520 0.283 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CCSCC3)C2)CC1 ZINC001117157267 846915668 /nfs/dbraw/zinc/91/56/68/846915668.db2.gz JFGZMSPXEAXCPX-CQSZACIVSA-N 2 2 354.520 0.283 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]n1 ZINC001118264345 847353833 /nfs/dbraw/zinc/35/38/33/847353833.db2.gz DALGNSPPUWCAHR-CQSZACIVSA-N 2 2 351.451 0.083 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001123714891 848628740 /nfs/dbraw/zinc/62/87/40/848628740.db2.gz TVQUPLAOLIGQMH-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001123714891 848628743 /nfs/dbraw/zinc/62/87/43/848628743.db2.gz TVQUPLAOLIGQMH-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001123794853 848639504 /nfs/dbraw/zinc/63/95/04/848639504.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001123794853 848639506 /nfs/dbraw/zinc/63/95/06/848639506.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123794853 848639507 /nfs/dbraw/zinc/63/95/07/848639507.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123794853 848639509 /nfs/dbraw/zinc/63/95/09/848639509.db2.gz OBZPZIOPLIPFPL-SZMVWBNQSA-N 2 2 351.539 0.994 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001127570744 848725779 /nfs/dbraw/zinc/72/57/79/848725779.db2.gz DWVOFAWYQNPTQO-CABCVRRESA-N 2 2 353.492 0.491 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCF)n3CC2)CC[N@@H+]1C ZINC001127991191 848737166 /nfs/dbraw/zinc/73/71/66/848737166.db2.gz QSLISZGVWKJCGZ-HZSPNIEDSA-N 2 2 352.458 0.499 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCF)n3CC2)CC[N@H+]1C ZINC001127991191 848737170 /nfs/dbraw/zinc/73/71/70/848737170.db2.gz QSLISZGVWKJCGZ-HZSPNIEDSA-N 2 2 352.458 0.499 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CCC[C@@H]3C)n2)O1 ZINC001130809297 849047196 /nfs/dbraw/zinc/04/71/96/849047196.db2.gz QEUMLPVFTJZQLO-MELADBBJSA-N 2 2 350.467 0.735 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CCC[C@@H]3C)n2)O1 ZINC001130809297 849047210 /nfs/dbraw/zinc/04/72/10/849047210.db2.gz QEUMLPVFTJZQLO-MELADBBJSA-N 2 2 350.467 0.735 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001131491016 849112160 /nfs/dbraw/zinc/11/21/60/849112160.db2.gz MRNGMPLFQSXMJN-QAPCUYQASA-N 2 2 350.463 0.974 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131490940 849112284 /nfs/dbraw/zinc/11/22/84/849112284.db2.gz HWQZXVPKXSCHQY-QAPCUYQASA-N 2 2 350.463 0.710 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131572684 849125602 /nfs/dbraw/zinc/12/56/02/849125602.db2.gz LKBWVLIXOAOFTL-QBIMZIAESA-N 2 2 350.463 0.973 20 0 FCADLP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131572098 849125868 /nfs/dbraw/zinc/12/58/68/849125868.db2.gz COKSLMJMUYUBBU-AEFFLSMTSA-N 2 2 350.463 0.974 20 0 FCADLP O=C(NCC[NH2+]Cc1ccns1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613562 849130884 /nfs/dbraw/zinc/13/08/84/849130884.db2.gz GGEICMSREDVTKY-HIFRSBDPSA-N 2 2 354.476 0.229 20 0 FCADLP CC[N@H+](CC(=O)N(C)C1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998335 849772712 /nfs/dbraw/zinc/77/27/12/849772712.db2.gz PFLBODQALMUJGJ-IIAWOOMASA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@@H+](CC(=O)N(C)C1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998335 849772733 /nfs/dbraw/zinc/77/27/33/849772733.db2.gz PFLBODQALMUJGJ-IIAWOOMASA-N 2 2 354.495 0.153 20 0 FCADLP CC[NH+](CC(=O)N(C)C1CC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998335 849772744 /nfs/dbraw/zinc/77/27/44/849772744.db2.gz PFLBODQALMUJGJ-IIAWOOMASA-N 2 2 354.495 0.153 20 0 FCADLP CC[NH+](CC(=O)N(C)C1CC1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998335 849772751 /nfs/dbraw/zinc/77/27/51/849772751.db2.gz PFLBODQALMUJGJ-IIAWOOMASA-N 2 2 354.495 0.153 20 0 FCADLP C[NH+](C)C1(CNc2nc(Cl)ccc2S(N)(=O)=O)CC[NH+](C)CC1 ZINC001156187179 849894641 /nfs/dbraw/zinc/89/46/41/849894641.db2.gz FFOKQGTXYKZUDB-UHFFFAOYSA-N 2 2 361.899 0.820 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC001157999092 850011368 /nfs/dbraw/zinc/01/13/68/850011368.db2.gz OFLVFDXMHACVET-CHWSQXEVSA-N 2 2 370.247 0.812 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc2ccsc2c(N2CCOCC2)n1 ZINC001158203737 850023336 /nfs/dbraw/zinc/02/33/36/850023336.db2.gz HBFHSSLHYYWWKW-LLVKDONJSA-N 2 2 360.443 0.576 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241026 850027309 /nfs/dbraw/zinc/02/73/09/850027309.db2.gz QBFXVPLBSPRFOI-STQMWFEESA-N 3 2 359.396 0.965 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258762 850029830 /nfs/dbraw/zinc/02/98/30/850029830.db2.gz IQYSAZFLFUHEEO-NSHDSACASA-N 2 2 366.491 0.772 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258762 850029833 /nfs/dbraw/zinc/02/98/33/850029833.db2.gz IQYSAZFLFUHEEO-NSHDSACASA-N 2 2 366.491 0.772 20 0 FCADLP CC(C)C[C@@](C)([NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158735198 850071740 /nfs/dbraw/zinc/07/17/40/850071740.db2.gz RBGQYDAQHUQHGN-OAHLLOKOSA-N 2 2 358.464 0.372 20 0 FCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158855038 850081228 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CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126063 851753665 /nfs/dbraw/zinc/75/36/65/851753665.db2.gz ATJVAZVBAQQOKL-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126063 851753670 /nfs/dbraw/zinc/75/36/70/851753670.db2.gz ATJVAZVBAQQOKL-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126063 851753673 /nfs/dbraw/zinc/75/36/73/851753673.db2.gz ATJVAZVBAQQOKL-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126441 851755557 /nfs/dbraw/zinc/75/55/57/851755557.db2.gz IOEYARNHCGXDND-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126441 851755561 /nfs/dbraw/zinc/75/55/61/851755561.db2.gz IOEYARNHCGXDND-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126441 851755570 /nfs/dbraw/zinc/75/55/70/851755570.db2.gz IOEYARNHCGXDND-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126441 851755575 /nfs/dbraw/zinc/75/55/75/851755575.db2.gz IOEYARNHCGXDND-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134935 851756610 /nfs/dbraw/zinc/75/66/10/851756610.db2.gz HFWRNFSVAHFTRT-JKSUJKDBSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134935 851756619 /nfs/dbraw/zinc/75/66/19/851756619.db2.gz HFWRNFSVAHFTRT-JKSUJKDBSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134935 851756626 /nfs/dbraw/zinc/75/66/26/851756626.db2.gz HFWRNFSVAHFTRT-JKSUJKDBSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189134935 851756634 /nfs/dbraw/zinc/75/66/34/851756634.db2.gz HFWRNFSVAHFTRT-JKSUJKDBSA-N 2 2 350.507 0.777 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)CC)C[C@H]21)[NH+](C)C ZINC001189151715 851760144 /nfs/dbraw/zinc/76/01/44/851760144.db2.gz OGYMSJMYZDQKIS-HRCADAONSA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)CC)C[C@H]21)[NH+](C)C ZINC001189151715 851760146 /nfs/dbraw/zinc/76/01/46/851760146.db2.gz OGYMSJMYZDQKIS-HRCADAONSA-N 2 2 359.536 0.684 20 0 FCADLP CCN(CC)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899372 851979936 /nfs/dbraw/zinc/97/99/36/851979936.db2.gz JEGSMGHZBMWELC-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899372 851979937 /nfs/dbraw/zinc/97/99/37/851979937.db2.gz JEGSMGHZBMWELC-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899372 851979938 /nfs/dbraw/zinc/97/99/38/851979938.db2.gz JEGSMGHZBMWELC-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899372 851979939 /nfs/dbraw/zinc/97/99/39/851979939.db2.gz JEGSMGHZBMWELC-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469800 852081325 /nfs/dbraw/zinc/08/13/25/852081325.db2.gz YHLONZSYDJLPTB-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469800 852081334 /nfs/dbraw/zinc/08/13/34/852081334.db2.gz YHLONZSYDJLPTB-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014909 852168803 /nfs/dbraw/zinc/16/88/03/852168803.db2.gz WWSGHFKFVPXYTJ-UPJWGTAASA-N 2 2 353.385 0.211 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014909 852168810 /nfs/dbraw/zinc/16/88/10/852168810.db2.gz WWSGHFKFVPXYTJ-UPJWGTAASA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014909 852168816 /nfs/dbraw/zinc/16/88/16/852168816.db2.gz WWSGHFKFVPXYTJ-UPJWGTAASA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014909 852168824 /nfs/dbraw/zinc/16/88/24/852168824.db2.gz WWSGHFKFVPXYTJ-UPJWGTAASA-N 2 2 353.385 0.211 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001193024266 852339461 /nfs/dbraw/zinc/33/94/61/852339461.db2.gz JBRPWAGHIQQBAV-BFHYXJOUSA-N 2 2 365.396 0.068 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001193024266 852339468 /nfs/dbraw/zinc/33/94/68/852339468.db2.gz JBRPWAGHIQQBAV-BFHYXJOUSA-N 2 2 365.396 0.068 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001193447592 852428732 /nfs/dbraw/zinc/42/87/32/852428732.db2.gz SJSISZAIFWBKJJ-RBSFLKMASA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001193447592 852428740 /nfs/dbraw/zinc/42/87/40/852428740.db2.gz SJSISZAIFWBKJJ-RBSFLKMASA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1O ZINC001193447379 852429093 /nfs/dbraw/zinc/42/90/93/852429093.db2.gz PVIOSJHJCVPSIX-DJIMGWMZSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1O ZINC001193447379 852429100 /nfs/dbraw/zinc/42/91/00/852429100.db2.gz PVIOSJHJCVPSIX-DJIMGWMZSA-N 2 2 352.454 0.731 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O ZINC001193756471 852483464 /nfs/dbraw/zinc/48/34/64/852483464.db2.gz RPURSQJXOKZUFE-OWCLPIDISA-N 2 2 355.458 0.114 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O ZINC001193756471 852483467 /nfs/dbraw/zinc/48/34/67/852483467.db2.gz RPURSQJXOKZUFE-OWCLPIDISA-N 2 2 355.458 0.114 20 0 FCADLP CC(C)COC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001193821044 852494544 /nfs/dbraw/zinc/49/45/44/852494544.db2.gz YMKGBTLDFONOOC-UHFFFAOYSA-N 2 2 354.495 0.949 20 0 FCADLP CC(C)COC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001193821044 852494546 /nfs/dbraw/zinc/49/45/46/852494546.db2.gz YMKGBTLDFONOOC-UHFFFAOYSA-N 2 2 354.495 0.949 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193901968 852503850 /nfs/dbraw/zinc/50/38/50/852503850.db2.gz LSSHPRLDCVUQJW-USXIJHARSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193901968 852503853 /nfs/dbraw/zinc/50/38/53/852503853.db2.gz LSSHPRLDCVUQJW-USXIJHARSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193901968 852503855 /nfs/dbraw/zinc/50/38/55/852503855.db2.gz LSSHPRLDCVUQJW-USXIJHARSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193901968 852503858 /nfs/dbraw/zinc/50/38/58/852503858.db2.gz LSSHPRLDCVUQJW-USXIJHARSA-N 2 2 350.463 0.773 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)ccn1 ZINC001193954547 852516072 /nfs/dbraw/zinc/51/60/72/852516072.db2.gz WCVWATINHDVHDC-INMHGKMJSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)ccn1 ZINC001193954547 852516075 /nfs/dbraw/zinc/51/60/75/852516075.db2.gz WCVWATINHDVHDC-INMHGKMJSA-N 2 2 350.463 0.338 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001194102986 852537458 /nfs/dbraw/zinc/53/74/58/852537458.db2.gz RYCFOQVFSZDTJP-CHWSQXEVSA-N 2 2 367.412 0.459 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001194102986 852537461 /nfs/dbraw/zinc/53/74/61/852537461.db2.gz RYCFOQVFSZDTJP-CHWSQXEVSA-N 2 2 367.412 0.459 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O ZINC001194103324 852538499 /nfs/dbraw/zinc/53/84/99/852538499.db2.gz YDGNXPMYXCVRPH-HZPDHXFCSA-N 2 2 367.515 0.768 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001194103324 852538503 /nfs/dbraw/zinc/53/85/03/852538503.db2.gz YDGNXPMYXCVRPH-HZPDHXFCSA-N 2 2 367.515 0.768 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677902 852811423 /nfs/dbraw/zinc/81/14/23/852811423.db2.gz XAWPXKFNGLHCFX-HUUCEWRRSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677902 852811429 /nfs/dbraw/zinc/81/14/29/852811429.db2.gz XAWPXKFNGLHCFX-HUUCEWRRSA-N 2 2 350.463 0.549 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195870780 852837661 /nfs/dbraw/zinc/83/76/61/852837661.db2.gz LIQGRVLOBUXZEO-OWCLPIDISA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195870780 852837664 /nfs/dbraw/zinc/83/76/64/852837664.db2.gz LIQGRVLOBUXZEO-OWCLPIDISA-N 2 2 357.401 0.111 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001195980840 852860159 /nfs/dbraw/zinc/86/01/59/852860159.db2.gz HDDGVINVSUJKTH-JHJVBQTASA-N 2 2 355.401 0.313 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196114792 852893571 /nfs/dbraw/zinc/89/35/71/852893571.db2.gz BWLPCHSQBJSUAT-BRWVUGGUSA-N 2 2 351.495 0.510 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O)[NH+](CC)CC ZINC001196114792 852893582 /nfs/dbraw/zinc/89/35/82/852893582.db2.gz BWLPCHSQBJSUAT-BRWVUGGUSA-N 2 2 351.495 0.510 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637928 852991025 /nfs/dbraw/zinc/99/10/25/852991025.db2.gz POYORNGVXJFNHS-RRFJBIMHSA-N 2 2 363.449 0.694 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637928 852991028 /nfs/dbraw/zinc/99/10/28/852991028.db2.gz POYORNGVXJFNHS-RRFJBIMHSA-N 2 2 363.449 0.694 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197024389 853050789 /nfs/dbraw/zinc/05/07/89/853050789.db2.gz CHJBTPDRXYQWKP-ZACQAIPSSA-N 2 2 351.495 0.448 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197024389 853050792 /nfs/dbraw/zinc/05/07/92/853050792.db2.gz CHJBTPDRXYQWKP-ZACQAIPSSA-N 2 2 351.495 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493012 853122719 /nfs/dbraw/zinc/12/27/19/853122719.db2.gz CRDMWTLFDUZODK-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493012 853122727 /nfs/dbraw/zinc/12/27/27/853122727.db2.gz CRDMWTLFDUZODK-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493012 853122734 /nfs/dbraw/zinc/12/27/34/853122734.db2.gz CRDMWTLFDUZODK-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493012 853122740 /nfs/dbraw/zinc/12/27/40/853122740.db2.gz CRDMWTLFDUZODK-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926672 853187480 /nfs/dbraw/zinc/18/74/80/853187480.db2.gz SAXBUALTJRYCCP-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926672 853187483 /nfs/dbraw/zinc/18/74/83/853187483.db2.gz SAXBUALTJRYCCP-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1O ZINC001198004024 853204590 /nfs/dbraw/zinc/20/45/90/853204590.db2.gz RAXXBIMEUZCWLH-HUUCEWRRSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1O ZINC001198004024 853204591 /nfs/dbraw/zinc/20/45/91/853204591.db2.gz RAXXBIMEUZCWLH-HUUCEWRRSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1O ZINC001198004024 853204594 /nfs/dbraw/zinc/20/45/94/853204594.db2.gz RAXXBIMEUZCWLH-HUUCEWRRSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1O ZINC001198004024 853204597 /nfs/dbraw/zinc/20/45/97/853204597.db2.gz RAXXBIMEUZCWLH-HUUCEWRRSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198037995 853208852 /nfs/dbraw/zinc/20/88/52/853208852.db2.gz FIFDRODENGQGPB-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198037995 853208860 /nfs/dbraw/zinc/20/88/60/853208860.db2.gz FIFDRODENGQGPB-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198037995 853208868 /nfs/dbraw/zinc/20/88/68/853208868.db2.gz FIFDRODENGQGPB-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198037995 853208877 /nfs/dbraw/zinc/20/88/77/853208877.db2.gz FIFDRODENGQGPB-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001199018162 853355183 /nfs/dbraw/zinc/35/51/83/853355183.db2.gz QDSFUWAIXBYKGH-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)s1 ZINC001199018162 853355191 /nfs/dbraw/zinc/35/51/91/853355191.db2.gz QDSFUWAIXBYKGH-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071149 853363222 /nfs/dbraw/zinc/36/32/22/853363222.db2.gz LIAASSVIELFSJO-IAGOWNOFSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071149 853363227 /nfs/dbraw/zinc/36/32/27/853363227.db2.gz LIAASSVIELFSJO-IAGOWNOFSA-N 2 2 350.463 0.829 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071176 853363873 /nfs/dbraw/zinc/36/38/73/853363873.db2.gz MNFNRKKJHJFKFZ-IAGOWNOFSA-N 2 2 350.463 0.774 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071176 853363879 /nfs/dbraw/zinc/36/38/79/853363879.db2.gz MNFNRKKJHJFKFZ-IAGOWNOFSA-N 2 2 350.463 0.774 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104941 853370899 /nfs/dbraw/zinc/37/08/99/853370899.db2.gz XQRXRYZAQOJRJC-HZPDHXFCSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104941 853370905 /nfs/dbraw/zinc/37/09/05/853370905.db2.gz XQRXRYZAQOJRJC-HZPDHXFCSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104941 853370914 /nfs/dbraw/zinc/37/09/14/853370914.db2.gz XQRXRYZAQOJRJC-HZPDHXFCSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104941 853370923 /nfs/dbraw/zinc/37/09/23/853370923.db2.gz XQRXRYZAQOJRJC-HZPDHXFCSA-N 2 2 356.511 0.137 20 0 FCADLP CSCC[C@H](NC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1)C(N)=O ZINC001199357863 853414102 /nfs/dbraw/zinc/41/41/02/853414102.db2.gz CKGVYAOQNUMKEO-ZDUSSCGKSA-N 2 2 351.476 0.170 20 0 FCADLP COCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OCCOC ZINC001205967094 853648921 /nfs/dbraw/zinc/64/89/21/853648921.db2.gz JCZNGLLXUVUGRZ-HZPDHXFCSA-N 2 2 354.447 0.631 20 0 FCADLP COCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OCCOC ZINC001205967094 853648925 /nfs/dbraw/zinc/64/89/25/853648925.db2.gz JCZNGLLXUVUGRZ-HZPDHXFCSA-N 2 2 354.447 0.631 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586362 853700953 /nfs/dbraw/zinc/70/09/53/853700953.db2.gz XOSRMGSWCOVDSY-RBSFLKMASA-N 2 2 353.511 0.615 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586362 853700960 /nfs/dbraw/zinc/70/09/60/853700960.db2.gz XOSRMGSWCOVDSY-RBSFLKMASA-N 2 2 353.511 0.615 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206586362 853700966 /nfs/dbraw/zinc/70/09/66/853700966.db2.gz XOSRMGSWCOVDSY-RBSFLKMASA-N 2 2 353.511 0.615 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206586362 853700972 /nfs/dbraw/zinc/70/09/72/853700972.db2.gz XOSRMGSWCOVDSY-RBSFLKMASA-N 2 2 353.511 0.615 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980337 853775558 /nfs/dbraw/zinc/77/55/58/853775558.db2.gz XDXSIYZRQNWDNX-HYVNUMGLSA-N 2 2 371.547 0.590 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980337 853775561 /nfs/dbraw/zinc/77/55/61/853775561.db2.gz XDXSIYZRQNWDNX-HYVNUMGLSA-N 2 2 371.547 0.590 20 0 FCADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1CCN(S(C)(=O)=O)CC1 ZINC001207449055 853815250 /nfs/dbraw/zinc/81/52/50/853815250.db2.gz XSMYAAMSXMHYRI-UHFFFAOYSA-N 3 2 362.584 0.863 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545378 853822532 /nfs/dbraw/zinc/82/25/32/853822532.db2.gz SDHSXQIUVPAAOK-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545378 853822534 /nfs/dbraw/zinc/82/25/34/853822534.db2.gz SDHSXQIUVPAAOK-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207858906 853864575 /nfs/dbraw/zinc/86/45/75/853864575.db2.gz BUZKQXOHFCACIR-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207858906 853864580 /nfs/dbraw/zinc/86/45/80/853864580.db2.gz BUZKQXOHFCACIR-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001208004938 853881415 /nfs/dbraw/zinc/88/14/15/853881415.db2.gz LXVUWTRDAIAHIE-UKRRQHHQSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001208004938 853881419 /nfs/dbraw/zinc/88/14/19/853881419.db2.gz LXVUWTRDAIAHIE-UKRRQHHQSA-N 2 2 368.503 0.453 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250275 853907786 /nfs/dbraw/zinc/90/77/86/853907786.db2.gz CRKUPARKHNIILH-BRWVUGGUSA-N 2 2 352.479 0.743 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250275 853907788 /nfs/dbraw/zinc/90/77/88/853907788.db2.gz CRKUPARKHNIILH-BRWVUGGUSA-N 2 2 352.479 0.743 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208590391 853956914 /nfs/dbraw/zinc/95/69/14/853956914.db2.gz FWUWYIIHGJTCIM-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208590391 853956917 /nfs/dbraw/zinc/95/69/17/853956917.db2.gz FWUWYIIHGJTCIM-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001208590391 853956921 /nfs/dbraw/zinc/95/69/21/853956921.db2.gz FWUWYIIHGJTCIM-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001208590391 853956923 /nfs/dbraw/zinc/95/69/23/853956923.db2.gz FWUWYIIHGJTCIM-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001208590499 853957830 /nfs/dbraw/zinc/95/78/30/853957830.db2.gz GXQWRQCIYQSQRI-BFYDXBDKSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001208590499 853957833 /nfs/dbraw/zinc/95/78/33/853957833.db2.gz GXQWRQCIYQSQRI-BFYDXBDKSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001208590499 853957838 /nfs/dbraw/zinc/95/78/38/853957838.db2.gz GXQWRQCIYQSQRI-BFYDXBDKSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001208590499 853957844 /nfs/dbraw/zinc/95/78/44/853957844.db2.gz GXQWRQCIYQSQRI-BFYDXBDKSA-N 2 2 350.507 0.633 20 0 FCADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)O1 ZINC001209275753 854011213 /nfs/dbraw/zinc/01/12/13/854011213.db2.gz IIIGPDVCLGCTDP-IXDOHACOSA-N 2 2 360.470 0.758 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488166 854031871 /nfs/dbraw/zinc/03/18/71/854031871.db2.gz KDXHJMYIUYIWLW-OAGGEKHMSA-N 2 2 354.495 0.189 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488166 854031873 /nfs/dbraw/zinc/03/18/73/854031873.db2.gz KDXHJMYIUYIWLW-OAGGEKHMSA-N 2 2 354.495 0.189 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506467 854033093 /nfs/dbraw/zinc/03/30/93/854033093.db2.gz LLNXUDGREOFQPR-RHSMWYFYSA-N 2 2 350.463 0.896 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506467 854033098 /nfs/dbraw/zinc/03/30/98/854033098.db2.gz LLNXUDGREOFQPR-RHSMWYFYSA-N 2 2 350.463 0.896 20 0 FCADLP COCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209699280 854047353 /nfs/dbraw/zinc/04/73/53/854047353.db2.gz ILDARXNBCXFRSX-BZUAXINKSA-N 2 2 350.463 0.767 20 0 FCADLP CS(=O)(=O)N1CCOCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1 ZINC001209731079 854049942 /nfs/dbraw/zinc/04/99/42/854049942.db2.gz UUULKTDPCKYCRB-UHFFFAOYSA-N 2 2 354.476 0.368 20 0 FCADLP CC(C)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210299091 854098827 /nfs/dbraw/zinc/09/88/27/854098827.db2.gz XPQMPGQRYARBTE-NVXWUHKLSA-N 2 2 351.495 0.979 20 0 FCADLP CC(C)n1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)n1 ZINC001210299091 854098833 /nfs/dbraw/zinc/09/88/33/854098833.db2.gz XPQMPGQRYARBTE-NVXWUHKLSA-N 2 2 351.495 0.979 20 0 FCADLP Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315611 854099754 /nfs/dbraw/zinc/09/97/54/854099754.db2.gz SVQYIZLJGZVOFU-IUODEOHRSA-N 2 2 371.913 0.897 20 0 FCADLP Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315611 854099756 /nfs/dbraw/zinc/09/97/56/854099756.db2.gz SVQYIZLJGZVOFU-IUODEOHRSA-N 2 2 371.913 0.897 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210514131 854115578 /nfs/dbraw/zinc/11/55/78/854115578.db2.gz RCFSPRWUUMMYTK-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210514131 854115582 /nfs/dbraw/zinc/11/55/82/854115582.db2.gz RCFSPRWUUMMYTK-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210514131 854115586 /nfs/dbraw/zinc/11/55/86/854115586.db2.gz RCFSPRWUUMMYTK-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001210514131 854115589 /nfs/dbraw/zinc/11/55/89/854115589.db2.gz RCFSPRWUUMMYTK-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046938 854150382 /nfs/dbraw/zinc/15/03/82/854150382.db2.gz XFJCBIMMCJVORG-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046938 854150386 /nfs/dbraw/zinc/15/03/86/854150386.db2.gz XFJCBIMMCJVORG-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192003 854167025 /nfs/dbraw/zinc/16/70/25/854167025.db2.gz ZRPIIYBBPBZMTB-MCIONIFRSA-N 2 2 367.412 0.723 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192003 854167026 /nfs/dbraw/zinc/16/70/26/854167026.db2.gz ZRPIIYBBPBZMTB-MCIONIFRSA-N 2 2 367.412 0.723 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192003 854167032 /nfs/dbraw/zinc/16/70/32/854167032.db2.gz ZRPIIYBBPBZMTB-MCIONIFRSA-N 2 2 367.412 0.723 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2C)C1 ZINC001211192003 854167034 /nfs/dbraw/zinc/16/70/34/854167034.db2.gz ZRPIIYBBPBZMTB-MCIONIFRSA-N 2 2 367.412 0.723 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367625 854181858 /nfs/dbraw/zinc/18/18/58/854181858.db2.gz YCDIIYRZGCVTMN-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367625 854181861 /nfs/dbraw/zinc/18/18/61/854181861.db2.gz YCDIIYRZGCVTMN-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367625 854181863 /nfs/dbraw/zinc/18/18/63/854181863.db2.gz YCDIIYRZGCVTMN-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367625 854181866 /nfs/dbraw/zinc/18/18/66/854181866.db2.gz YCDIIYRZGCVTMN-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367780 854181965 /nfs/dbraw/zinc/18/19/65/854181965.db2.gz ZSQKSZUGIOZAIO-JHJVBQTASA-N 2 2 366.428 0.830 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367780 854181967 /nfs/dbraw/zinc/18/19/67/854181967.db2.gz ZSQKSZUGIOZAIO-JHJVBQTASA-N 2 2 366.428 0.830 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367780 854181969 /nfs/dbraw/zinc/18/19/69/854181969.db2.gz ZSQKSZUGIOZAIO-JHJVBQTASA-N 2 2 366.428 0.830 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001211367780 854181970 /nfs/dbraw/zinc/18/19/70/854181970.db2.gz ZSQKSZUGIOZAIO-JHJVBQTASA-N 2 2 366.428 0.830 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451945 854201851 /nfs/dbraw/zinc/20/18/51/854201851.db2.gz LZTBRTYENQCTLW-JHJVBQTASA-N 2 2 364.368 0.259 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451945 854201856 /nfs/dbraw/zinc/20/18/56/854201856.db2.gz LZTBRTYENQCTLW-JHJVBQTASA-N 2 2 364.368 0.259 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212298097 854431137 /nfs/dbraw/zinc/43/11/37/854431137.db2.gz URYLETIDIRHZQZ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212298097 854431145 /nfs/dbraw/zinc/43/11/45/854431145.db2.gz URYLETIDIRHZQZ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212298097 854431150 /nfs/dbraw/zinc/43/11/50/854431150.db2.gz URYLETIDIRHZQZ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212298097 854431162 /nfs/dbraw/zinc/43/11/62/854431162.db2.gz URYLETIDIRHZQZ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2OC)CC[N@@H+]1C ZINC001212299416 854432521 /nfs/dbraw/zinc/43/25/21/854432521.db2.gz INCXBUMGQKDLAZ-ZJIFWQFVSA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2OC)CC[N@H+]1C ZINC001212299416 854432525 /nfs/dbraw/zinc/43/25/25/854432525.db2.gz INCXBUMGQKDLAZ-ZJIFWQFVSA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2OC)CC[NH+]1C ZINC001212299416 854432531 /nfs/dbraw/zinc/43/25/31/854432531.db2.gz INCXBUMGQKDLAZ-ZJIFWQFVSA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2OC)CC[NH+]1C ZINC001212299416 854432536 /nfs/dbraw/zinc/43/25/36/854432536.db2.gz INCXBUMGQKDLAZ-ZJIFWQFVSA-N 2 2 354.495 0.010 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1OC ZINC001212353030 854446935 /nfs/dbraw/zinc/44/69/35/854446935.db2.gz HUOMBHHKGMBKGL-SQWLQELKSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1OC ZINC001212353030 854446939 /nfs/dbraw/zinc/44/69/39/854446939.db2.gz HUOMBHHKGMBKGL-SQWLQELKSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC ZINC001212353481 854448172 /nfs/dbraw/zinc/44/81/72/854448172.db2.gz SFJVIPGVFJDPFQ-ARFHVFGLSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC ZINC001212353481 854448180 /nfs/dbraw/zinc/44/81/80/854448180.db2.gz SFJVIPGVFJDPFQ-ARFHVFGLSA-N 2 2 356.442 0.978 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410341 854467328 /nfs/dbraw/zinc/46/73/28/854467328.db2.gz QOCGVGPBUJYFQG-FMKPAKJESA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410341 854467334 /nfs/dbraw/zinc/46/73/34/854467334.db2.gz QOCGVGPBUJYFQG-FMKPAKJESA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212496109 854501306 /nfs/dbraw/zinc/50/13/06/854501306.db2.gz ZICRTNAPABBDGH-APHBMKBZSA-N 2 2 354.451 0.326 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212496109 854501310 /nfs/dbraw/zinc/50/13/10/854501310.db2.gz ZICRTNAPABBDGH-APHBMKBZSA-N 2 2 354.451 0.326 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203836 854531803 /nfs/dbraw/zinc/53/18/03/854531803.db2.gz ZDUKVNLRLGBQLW-ARFHVFGLSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203836 854531806 /nfs/dbraw/zinc/53/18/06/854531806.db2.gz ZDUKVNLRLGBQLW-ARFHVFGLSA-N 2 2 350.463 0.595 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224091 854540146 /nfs/dbraw/zinc/54/01/46/854540146.db2.gz MEKADZUKFVTTTA-QLFBSQMISA-N 2 2 354.495 0.330 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224091 854540149 /nfs/dbraw/zinc/54/01/49/854540149.db2.gz MEKADZUKFVTTTA-QLFBSQMISA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348155 854584912 /nfs/dbraw/zinc/58/49/12/854584912.db2.gz GBOFOGYWKYHYID-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348155 854584915 /nfs/dbraw/zinc/58/49/15/854584915.db2.gz GBOFOGYWKYHYID-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370333 854590958 /nfs/dbraw/zinc/59/09/58/854590958.db2.gz FLDCSJJPOYUHNL-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370333 854590963 /nfs/dbraw/zinc/59/09/63/854590963.db2.gz FLDCSJJPOYUHNL-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374369 854592532 /nfs/dbraw/zinc/59/25/32/854592532.db2.gz DFTQXIATRTXYBD-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374369 854592539 /nfs/dbraw/zinc/59/25/39/854592539.db2.gz DFTQXIATRTXYBD-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213594348 854678629 /nfs/dbraw/zinc/67/86/29/854678629.db2.gz AWKSOEGFYKRVSQ-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213594348 854678633 /nfs/dbraw/zinc/67/86/33/854678633.db2.gz AWKSOEGFYKRVSQ-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213676144 854712472 /nfs/dbraw/zinc/71/24/72/854712472.db2.gz RSALMVLZHFIAFS-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213676144 854712474 /nfs/dbraw/zinc/71/24/74/854712474.db2.gz RSALMVLZHFIAFS-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213676144 854712475 /nfs/dbraw/zinc/71/24/75/854712475.db2.gz RSALMVLZHFIAFS-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001213676144 854712478 /nfs/dbraw/zinc/71/24/78/854712478.db2.gz RSALMVLZHFIAFS-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213678474 854712846 /nfs/dbraw/zinc/71/28/46/854712846.db2.gz YDPJIUCWALNQAY-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213678474 854712855 /nfs/dbraw/zinc/71/28/55/854712855.db2.gz YDPJIUCWALNQAY-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213678474 854712865 /nfs/dbraw/zinc/71/28/65/854712865.db2.gz YDPJIUCWALNQAY-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001213678474 854712876 /nfs/dbraw/zinc/71/28/76/854712876.db2.gz YDPJIUCWALNQAY-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719079 854734148 /nfs/dbraw/zinc/73/41/48/854734148.db2.gz MLPWSMNBCXAQTF-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719079 854734154 /nfs/dbraw/zinc/73/41/54/854734154.db2.gz MLPWSMNBCXAQTF-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213719079 854734166 /nfs/dbraw/zinc/73/41/66/854734166.db2.gz MLPWSMNBCXAQTF-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213719079 854734176 /nfs/dbraw/zinc/73/41/76/854734176.db2.gz MLPWSMNBCXAQTF-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213756531 854752611 /nfs/dbraw/zinc/75/26/11/854752611.db2.gz WJFAUVOQXSQXTE-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213756531 854752612 /nfs/dbraw/zinc/75/26/12/854752612.db2.gz WJFAUVOQXSQXTE-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213756531 854752619 /nfs/dbraw/zinc/75/26/19/854752619.db2.gz WJFAUVOQXSQXTE-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213756531 854752625 /nfs/dbraw/zinc/75/26/25/854752625.db2.gz WJFAUVOQXSQXTE-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213759249 854754639 /nfs/dbraw/zinc/75/46/39/854754639.db2.gz BXMXYESFRXOFOZ-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213759249 854754643 /nfs/dbraw/zinc/75/46/43/854754643.db2.gz BXMXYESFRXOFOZ-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213759249 854754651 /nfs/dbraw/zinc/75/46/51/854754651.db2.gz BXMXYESFRXOFOZ-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213759274 854755060 /nfs/dbraw/zinc/75/50/60/854755060.db2.gz CYNLBLDONNOING-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213759274 854755066 /nfs/dbraw/zinc/75/50/66/854755066.db2.gz CYNLBLDONNOING-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001213759274 854755075 /nfs/dbraw/zinc/75/50/75/854755075.db2.gz CYNLBLDONNOING-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857597 854793958 /nfs/dbraw/zinc/79/39/58/854793958.db2.gz QFRKDCNLITXPMZ-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857597 854793962 /nfs/dbraw/zinc/79/39/62/854793962.db2.gz QFRKDCNLITXPMZ-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857597 854793968 /nfs/dbraw/zinc/79/39/68/854793968.db2.gz QFRKDCNLITXPMZ-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857597 854793973 /nfs/dbraw/zinc/79/39/73/854793973.db2.gz QFRKDCNLITXPMZ-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868358 854799541 /nfs/dbraw/zinc/79/95/41/854799541.db2.gz SVPJWEWFMWPDET-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868358 854799544 /nfs/dbraw/zinc/79/95/44/854799544.db2.gz SVPJWEWFMWPDET-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868359 854799813 /nfs/dbraw/zinc/79/98/13/854799813.db2.gz SVPJWEWFMWPDET-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868359 854799819 /nfs/dbraw/zinc/79/98/19/854799819.db2.gz SVPJWEWFMWPDET-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868021 854799872 /nfs/dbraw/zinc/79/98/72/854799872.db2.gz FQBLSISDWGQXSZ-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868021 854799874 /nfs/dbraw/zinc/79/98/74/854799874.db2.gz FQBLSISDWGQXSZ-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921474 854825662 /nfs/dbraw/zinc/82/56/62/854825662.db2.gz ASNYASBGTWRFAH-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921474 854825670 /nfs/dbraw/zinc/82/56/70/854825670.db2.gz ASNYASBGTWRFAH-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214814533 855018137 /nfs/dbraw/zinc/01/81/37/855018137.db2.gz YZKSLVMNQSYPIV-UKRRQHHQSA-N 2 2 371.507 0.060 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001214814533 855018139 /nfs/dbraw/zinc/01/81/39/855018139.db2.gz YZKSLVMNQSYPIV-UKRRQHHQSA-N 2 2 371.507 0.060 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215006624 855050528 /nfs/dbraw/zinc/05/05/28/855050528.db2.gz YHYKFGNBFOWKNX-QLFBSQMISA-N 2 2 368.503 0.317 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215134452 855071341 /nfs/dbraw/zinc/07/13/41/855071341.db2.gz NVLACJVGYKBVIQ-ZIAGYGMSSA-N 2 2 364.471 0.819 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001215226720 855084759 /nfs/dbraw/zinc/08/47/59/855084759.db2.gz QVGLUSJFBAUTMC-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001215226720 855084761 /nfs/dbraw/zinc/08/47/61/855084761.db2.gz QVGLUSJFBAUTMC-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268852 855091605 /nfs/dbraw/zinc/09/16/05/855091605.db2.gz AGQXFFSAEPMGNN-BRWVUGGUSA-N 2 2 352.479 0.743 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001215269058 855092123 /nfs/dbraw/zinc/09/21/23/855092123.db2.gz JSUATNIBFQYXGI-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001215414061 855112414 /nfs/dbraw/zinc/11/24/14/855112414.db2.gz QKHGBIGWBNIDLW-CHWSQXEVSA-N 2 2 350.467 0.414 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001216499729 855208705 /nfs/dbraw/zinc/20/87/05/855208705.db2.gz RGNWJCNMGPHOCH-ZIAGYGMSSA-N 2 2 353.467 0.537 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001216499729 855208710 /nfs/dbraw/zinc/20/87/10/855208710.db2.gz RGNWJCNMGPHOCH-ZIAGYGMSSA-N 2 2 353.467 0.537 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216826492 855251574 /nfs/dbraw/zinc/25/15/74/855251574.db2.gz IWXMFSVKJGCPPG-TZMCWYRMSA-N 2 2 350.488 0.289 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216826492 855251582 /nfs/dbraw/zinc/25/15/82/855251582.db2.gz IWXMFSVKJGCPPG-TZMCWYRMSA-N 2 2 350.488 0.289 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001217730370 855369332 /nfs/dbraw/zinc/36/93/32/855369332.db2.gz RKDHVYLAROMFNT-JKSUJKDBSA-N 2 2 350.463 0.927 20 0 FCADLP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001217730370 855369342 /nfs/dbraw/zinc/36/93/42/855369342.db2.gz RKDHVYLAROMFNT-JKSUJKDBSA-N 2 2 350.463 0.927 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@H]21)[NH+](C)C ZINC001218161143 855402561 /nfs/dbraw/zinc/40/25/61/855402561.db2.gz ALPAUNALKGKPGZ-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@H]21)[NH+](C)C ZINC001218161143 855402564 /nfs/dbraw/zinc/40/25/64/855402564.db2.gz ALPAUNALKGKPGZ-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(Cl)nc(Cl)cc1C(N)=O ZINC001218667004 855460423 /nfs/dbraw/zinc/46/04/23/855460423.db2.gz XQIUIVRMWKTCOV-QMMMGPOBSA-N 2 2 357.201 0.729 20 0 FCADLP COC(=O)c1nc(Br)sc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218778917 855478405 /nfs/dbraw/zinc/47/84/05/855478405.db2.gz VGHWUUACMVOOQO-LURJTMIESA-N 2 2 374.220 0.924 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001218814913 855481360 /nfs/dbraw/zinc/48/13/60/855481360.db2.gz ZOSSNGONINFOHI-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001218814913 855481365 /nfs/dbraw/zinc/48/13/65/855481365.db2.gz ZOSSNGONINFOHI-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357872 855645037 /nfs/dbraw/zinc/64/50/37/855645037.db2.gz OBHFLGWSVSFHGN-WOPDTQHZSA-N 2 2 371.375 0.159 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357872 855645039 /nfs/dbraw/zinc/64/50/39/855645039.db2.gz OBHFLGWSVSFHGN-WOPDTQHZSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357872 855645041 /nfs/dbraw/zinc/64/50/41/855645041.db2.gz OBHFLGWSVSFHGN-WOPDTQHZSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357872 855645044 /nfs/dbraw/zinc/64/50/44/855645044.db2.gz OBHFLGWSVSFHGN-WOPDTQHZSA-N 2 2 371.375 0.159 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219454403 855676460 /nfs/dbraw/zinc/67/64/60/855676460.db2.gz TVQSHXAGJVQPOR-UONOGXRCSA-N 2 2 357.357 0.892 20 0 FCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456278 855678025 /nfs/dbraw/zinc/67/80/25/855678025.db2.gz LGWAVFOAKGKGEN-HNNXBMFYSA-N 2 2 354.401 0.906 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219531441 855704272 /nfs/dbraw/zinc/70/42/72/855704272.db2.gz UDGOHGMQCVPPOU-NEPJUHHUSA-N 2 2 364.368 0.473 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219531441 855704274 /nfs/dbraw/zinc/70/42/74/855704274.db2.gz UDGOHGMQCVPPOU-NEPJUHHUSA-N 2 2 364.368 0.473 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCn1cc[nH+]c1 ZINC001219563703 855716189 /nfs/dbraw/zinc/71/61/89/855716189.db2.gz IOTOXNKLOXHQNN-IHRRRGAJSA-N 2 2 355.508 0.611 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccccc1OC(F)(F)F ZINC001219575292 855720703 /nfs/dbraw/zinc/72/07/03/855720703.db2.gz HZRFOPUYDDWJMM-ZDUSSCGKSA-N 2 2 360.380 0.952 20 0 FCADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001219616721 855735060 /nfs/dbraw/zinc/73/50/60/855735060.db2.gz CAXPJWOCRABFPZ-SOLBZPMBSA-N 2 2 351.422 0.066 20 0 FCADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001219616721 855735062 /nfs/dbraw/zinc/73/50/62/855735062.db2.gz CAXPJWOCRABFPZ-SOLBZPMBSA-N 2 2 351.422 0.066 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804562 855823134 /nfs/dbraw/zinc/82/31/34/855823134.db2.gz ZTLZKVTZDGINGD-HLLBOEOZSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804562 855823142 /nfs/dbraw/zinc/82/31/42/855823142.db2.gz ZTLZKVTZDGINGD-HLLBOEOZSA-N 2 2 350.463 0.547 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O)[NH+](C)C ZINC001219876131 855857821 /nfs/dbraw/zinc/85/78/21/855857821.db2.gz WIDCFUVKDOVQQR-ZACQAIPSSA-N 2 2 351.495 0.774 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O)[NH+](C)C ZINC001219876131 855857824 /nfs/dbraw/zinc/85/78/24/855857824.db2.gz WIDCFUVKDOVQQR-ZACQAIPSSA-N 2 2 351.495 0.774 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908792 855875625 /nfs/dbraw/zinc/87/56/25/855875625.db2.gz SCUOULQVLFFQIF-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908792 855875632 /nfs/dbraw/zinc/87/56/32/855875632.db2.gz SCUOULQVLFFQIF-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073946 855946441 /nfs/dbraw/zinc/94/64/41/855946441.db2.gz QWINKCYWHPMDLE-OAGGEKHMSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073946 855946446 /nfs/dbraw/zinc/94/64/46/855946446.db2.gz QWINKCYWHPMDLE-OAGGEKHMSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073946 855946455 /nfs/dbraw/zinc/94/64/55/855946455.db2.gz QWINKCYWHPMDLE-OAGGEKHMSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073946 855946470 /nfs/dbraw/zinc/94/64/70/855946470.db2.gz QWINKCYWHPMDLE-OAGGEKHMSA-N 2 2 354.495 0.066 20 0 FCADLP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189806 856000265 /nfs/dbraw/zinc/00/02/65/856000265.db2.gz WARSTQBVCQMXRP-UWVGGRQHSA-N 2 2 374.354 0.524 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)ccc1Cl ZINC001220276944 856040353 /nfs/dbraw/zinc/04/03/53/856040353.db2.gz OCVBIAZUJWYIDC-CABCVRRESA-N 2 2 355.866 0.962 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)ccc1Cl ZINC001220276944 856040355 /nfs/dbraw/zinc/04/03/55/856040355.db2.gz OCVBIAZUJWYIDC-CABCVRRESA-N 2 2 355.866 0.962 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220342430 856075924 /nfs/dbraw/zinc/07/59/24/856075924.db2.gz BPRPJRFQDJVAAD-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220342430 856075926 /nfs/dbraw/zinc/07/59/26/856075926.db2.gz BPRPJRFQDJVAAD-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442170 856127415 /nfs/dbraw/zinc/12/74/15/856127415.db2.gz ZOZRSKWXJDIUKO-UAGQMJEPSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442170 856127419 /nfs/dbraw/zinc/12/74/19/856127419.db2.gz ZOZRSKWXJDIUKO-UAGQMJEPSA-N 2 2 350.463 0.812 20 0 FCADLP CC(C)([NH3+])CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535669 856170960 /nfs/dbraw/zinc/17/09/60/856170960.db2.gz IRWRGMHZDRZWQP-HNNXBMFYSA-N 3 2 368.503 0.268 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001220553386 856181732 /nfs/dbraw/zinc/18/17/32/856181732.db2.gz HMQFHHXIHBZVJM-SJORKVTESA-N 2 2 351.422 0.209 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001220553386 856181735 /nfs/dbraw/zinc/18/17/35/856181735.db2.gz HMQFHHXIHBZVJM-SJORKVTESA-N 2 2 351.422 0.209 20 0 FCADLP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220568117 856189181 /nfs/dbraw/zinc/18/91/81/856189181.db2.gz XAQZMZADTCTYIJ-KDOFPFPSSA-N 2 2 353.463 0.527 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001220599694 856200678 /nfs/dbraw/zinc/20/06/78/856200678.db2.gz GXPHPDGIRBBEDM-MSOLQXFVSA-N 2 2 353.507 0.696 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001220599694 856200685 /nfs/dbraw/zinc/20/06/85/856200685.db2.gz GXPHPDGIRBBEDM-MSOLQXFVSA-N 2 2 353.507 0.696 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220919208 856374768 /nfs/dbraw/zinc/37/47/68/856374768.db2.gz YEWLUOVMQNYLIA-KKUMJFAQSA-N 2 2 368.275 0.720 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220919208 856374771 /nfs/dbraw/zinc/37/47/71/856374771.db2.gz YEWLUOVMQNYLIA-KKUMJFAQSA-N 2 2 368.275 0.720 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020460 856428362 /nfs/dbraw/zinc/42/83/62/856428362.db2.gz VIYUEGCUJLPYNC-RDBSUJKOSA-N 2 2 367.412 0.601 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020460 856428376 /nfs/dbraw/zinc/42/83/76/856428376.db2.gz VIYUEGCUJLPYNC-RDBSUJKOSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020460 856428390 /nfs/dbraw/zinc/42/83/90/856428390.db2.gz VIYUEGCUJLPYNC-RDBSUJKOSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001221020460 856428399 /nfs/dbraw/zinc/42/83/99/856428399.db2.gz VIYUEGCUJLPYNC-RDBSUJKOSA-N 2 2 367.412 0.601 20 0 FCADLP [NH3+]C1(C(=O)NCc2ccc(N3CCCCS3(=O)=O)cc2)CC[NH2+]CC1 ZINC001221154801 856488346 /nfs/dbraw/zinc/48/83/46/856488346.db2.gz CFSNGZOWRZCZIR-UHFFFAOYSA-N 2 2 366.487 0.314 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221161360 856491293 /nfs/dbraw/zinc/49/12/93/856491293.db2.gz IDNHPRLJRJOLAB-ZACQAIPSSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001221161360 856491298 /nfs/dbraw/zinc/49/12/98/856491298.db2.gz IDNHPRLJRJOLAB-ZACQAIPSSA-N 2 2 350.463 0.641 20 0 FCADLP Cc1noc(C)c1S(=O)(=O)N(CC1([NH3+])CCCCC1)C(=O)[C@@H](C)[NH3+] ZINC001221382065 856556444 /nfs/dbraw/zinc/55/64/44/856556444.db2.gz CDPJUCYAHSRKQP-SNVBAGLBSA-N 2 2 358.464 0.818 20 0 FCADLP CC[N@@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC001221460690 856574201 /nfs/dbraw/zinc/57/42/01/856574201.db2.gz KQKREXKHHRXKPD-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@@H](C)C1 ZINC001221460690 856574209 /nfs/dbraw/zinc/57/42/09/856574209.db2.gz KQKREXKHHRXKPD-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221587802 856614809 /nfs/dbraw/zinc/61/48/09/856614809.db2.gz ITTJOAMMHANNON-VNQPRFMTSA-N 2 2 354.470 0.478 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001221587802 856614812 /nfs/dbraw/zinc/61/48/12/856614812.db2.gz ITTJOAMMHANNON-VNQPRFMTSA-N 2 2 354.470 0.478 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)c3ncc[nH]3)CC2)CC1 ZINC001221601367 856621828 /nfs/dbraw/zinc/62/18/28/856621828.db2.gz YKGJSRMXVNFCSQ-OAHLLOKOSA-N 2 2 350.467 0.301 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620641 856627565 /nfs/dbraw/zinc/62/75/65/856627565.db2.gz PUUHRBYXESVLCH-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620641 856627570 /nfs/dbraw/zinc/62/75/70/856627570.db2.gz PUUHRBYXESVLCH-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620641 856627574 /nfs/dbraw/zinc/62/75/74/856627574.db2.gz PUUHRBYXESVLCH-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620641 856627580 /nfs/dbraw/zinc/62/75/80/856627580.db2.gz PUUHRBYXESVLCH-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640313 856634709 /nfs/dbraw/zinc/63/47/09/856634709.db2.gz LOSATOQJVMMCDD-OWCLPIDISA-N 2 2 350.463 0.467 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640313 856634712 /nfs/dbraw/zinc/63/47/12/856634712.db2.gz LOSATOQJVMMCDD-OWCLPIDISA-N 2 2 350.463 0.467 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765860 856677423 /nfs/dbraw/zinc/67/74/23/856677423.db2.gz XPSNHOJWYDPMEP-MWDXBVQZSA-N 2 2 350.507 0.776 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765860 856677428 /nfs/dbraw/zinc/67/74/28/856677428.db2.gz XPSNHOJWYDPMEP-MWDXBVQZSA-N 2 2 350.507 0.776 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765860 856677432 /nfs/dbraw/zinc/67/74/32/856677432.db2.gz XPSNHOJWYDPMEP-MWDXBVQZSA-N 2 2 350.507 0.776 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765860 856677436 /nfs/dbraw/zinc/67/74/36/856677436.db2.gz XPSNHOJWYDPMEP-MWDXBVQZSA-N 2 2 350.507 0.776 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773905 856678214 /nfs/dbraw/zinc/67/82/14/856678214.db2.gz JMVOAHSYNFUFSJ-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221773905 856678219 /nfs/dbraw/zinc/67/82/19/856678219.db2.gz JMVOAHSYNFUFSJ-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813296 856695470 /nfs/dbraw/zinc/69/54/70/856695470.db2.gz FBNUMISZQGSDTE-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813296 856695472 /nfs/dbraw/zinc/69/54/72/856695472.db2.gz FBNUMISZQGSDTE-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813296 856695475 /nfs/dbraw/zinc/69/54/75/856695475.db2.gz FBNUMISZQGSDTE-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813296 856695476 /nfs/dbraw/zinc/69/54/76/856695476.db2.gz FBNUMISZQGSDTE-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001221816172 856697284 /nfs/dbraw/zinc/69/72/84/856697284.db2.gz OWIVGAIJXPEARH-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001221816172 856697286 /nfs/dbraw/zinc/69/72/86/856697286.db2.gz OWIVGAIJXPEARH-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945036 856743680 /nfs/dbraw/zinc/74/36/80/856743680.db2.gz FQNOILINUSJFSH-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945036 856743683 /nfs/dbraw/zinc/74/36/83/856743683.db2.gz FQNOILINUSJFSH-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945036 856743685 /nfs/dbraw/zinc/74/36/85/856743685.db2.gz FQNOILINUSJFSH-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945036 856743688 /nfs/dbraw/zinc/74/36/88/856743688.db2.gz FQNOILINUSJFSH-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945672 856743695 /nfs/dbraw/zinc/74/36/95/856743695.db2.gz WAPWBUHQXLLIKH-GVDBMIGSSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945672 856743698 /nfs/dbraw/zinc/74/36/98/856743698.db2.gz WAPWBUHQXLLIKH-GVDBMIGSSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945672 856743700 /nfs/dbraw/zinc/74/37/00/856743700.db2.gz WAPWBUHQXLLIKH-GVDBMIGSSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945672 856743705 /nfs/dbraw/zinc/74/37/05/856743705.db2.gz WAPWBUHQXLLIKH-GVDBMIGSSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972733 856754502 /nfs/dbraw/zinc/75/45/02/856754502.db2.gz HDBXQQPKGYGLNT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972733 856754506 /nfs/dbraw/zinc/75/45/06/856754506.db2.gz HDBXQQPKGYGLNT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972733 856754509 /nfs/dbraw/zinc/75/45/09/856754509.db2.gz HDBXQQPKGYGLNT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972733 856754513 /nfs/dbraw/zinc/75/45/13/856754513.db2.gz HDBXQQPKGYGLNT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221972604 856754560 /nfs/dbraw/zinc/75/45/60/856754560.db2.gz ABZVZPZFOJZAHH-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221972604 856754564 /nfs/dbraw/zinc/75/45/64/856754564.db2.gz ABZVZPZFOJZAHH-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221972604 856754569 /nfs/dbraw/zinc/75/45/69/856754569.db2.gz ABZVZPZFOJZAHH-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221972604 856754571 /nfs/dbraw/zinc/75/45/71/856754571.db2.gz ABZVZPZFOJZAHH-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018292 856769825 /nfs/dbraw/zinc/76/98/25/856769825.db2.gz WAHBQLXTQGFSMX-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018292 856769828 /nfs/dbraw/zinc/76/98/28/856769828.db2.gz WAHBQLXTQGFSMX-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443188 856841217 /nfs/dbraw/zinc/84/12/17/856841217.db2.gz SYJYMJFYNPUOED-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443188 856841220 /nfs/dbraw/zinc/84/12/20/856841220.db2.gz SYJYMJFYNPUOED-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222443188 856841226 /nfs/dbraw/zinc/84/12/26/856841226.db2.gz SYJYMJFYNPUOED-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222443188 856841231 /nfs/dbraw/zinc/84/12/31/856841231.db2.gz SYJYMJFYNPUOED-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223165947 856898911 /nfs/dbraw/zinc/89/89/11/856898911.db2.gz QRFQIEPDVCUPSE-PMPSAXMXSA-N 2 2 350.463 0.283 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223165947 856898919 /nfs/dbraw/zinc/89/89/19/856898919.db2.gz QRFQIEPDVCUPSE-PMPSAXMXSA-N 2 2 350.463 0.283 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)n1 ZINC001223429895 856915238 /nfs/dbraw/zinc/91/52/38/856915238.db2.gz DEAFWTUALMBDCD-KGLIPLIRSA-N 2 2 350.467 0.510 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)n1 ZINC001223429895 856915241 /nfs/dbraw/zinc/91/52/41/856915241.db2.gz DEAFWTUALMBDCD-KGLIPLIRSA-N 2 2 350.467 0.510 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)n1cc[nH+]c1 ZINC001228851714 857233054 /nfs/dbraw/zinc/23/30/54/857233054.db2.gz BCJQFBUIJGHNLI-YNEHKIRRSA-N 2 2 350.423 0.046 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CCC23C[NH+](CC2(C)CC[NH+](C)CC2)C3)c1 ZINC001279477654 862907463 /nfs/dbraw/zinc/90/74/63/862907463.db2.gz YKGNIUSJCFQEEO-UHFFFAOYSA-N 2 2 367.519 0.601 20 0 FCADLP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235516790 857426164 /nfs/dbraw/zinc/42/61/64/857426164.db2.gz MLVPHQIMIQCNPH-QKPAOTATSA-N 2 2 355.479 0.438 20 0 FCADLP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235516790 857426169 /nfs/dbraw/zinc/42/61/69/857426169.db2.gz MLVPHQIMIQCNPH-QKPAOTATSA-N 2 2 355.479 0.438 20 0 FCADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(C[C@H](C)[NH3+])CC3)C2=O)cs1 ZINC001235550670 857427665 /nfs/dbraw/zinc/42/76/65/857427665.db2.gz BMVYMVDUGVTDCE-ZDUSSCGKSA-N 2 2 351.520 0.907 20 0 FCADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(C[C@H](C)[NH3+])CC3)C2=O)cs1 ZINC001235550670 857427671 /nfs/dbraw/zinc/42/76/71/857427671.db2.gz BMVYMVDUGVTDCE-ZDUSSCGKSA-N 2 2 351.520 0.907 20 0 FCADLP [NH3+][C@H]1NC(CN2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)=CS1 ZINC001235653823 857430210 /nfs/dbraw/zinc/43/02/10/857430210.db2.gz UXPKMUXLLABERI-KRWDZBQOSA-N 2 2 364.519 0.778 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501278 862920111 /nfs/dbraw/zinc/92/01/11/862920111.db2.gz DTYDGYUAZZDSST-IAGOWNOFSA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501278 862920115 /nfs/dbraw/zinc/92/01/15/862920115.db2.gz DTYDGYUAZZDSST-IAGOWNOFSA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501278 862920124 /nfs/dbraw/zinc/92/01/24/862920124.db2.gz DTYDGYUAZZDSST-IAGOWNOFSA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501278 862920134 /nfs/dbraw/zinc/92/01/34/862920134.db2.gz DTYDGYUAZZDSST-IAGOWNOFSA-N 2 2 374.551 0.301 20 0 FCADLP COc1cc(N2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC001239154152 857522510 /nfs/dbraw/zinc/52/25/10/857522510.db2.gz XMITYJYIVKPTFV-UHFFFAOYSA-N 2 2 354.476 0.542 20 0 FCADLP CN(C)c1ccc(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001239439634 857528971 /nfs/dbraw/zinc/52/89/71/857528971.db2.gz UMRDASNRKNIEER-UHFFFAOYSA-N 2 2 350.536 0.534 20 0 FCADLP O=S(=O)(c1cccc(F)c1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246597730 857585914 /nfs/dbraw/zinc/58/59/14/857585914.db2.gz UDZCBZIRDYQUKR-OAHLLOKOSA-N 2 2 368.478 0.226 20 0 FCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699260 857591883 /nfs/dbraw/zinc/59/18/83/857591883.db2.gz ZLQOJQFDTQPBBU-MSOLQXFVSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699260 857591886 /nfs/dbraw/zinc/59/18/86/857591886.db2.gz ZLQOJQFDTQPBBU-MSOLQXFVSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699260 857591897 /nfs/dbraw/zinc/59/18/97/857591897.db2.gz ZLQOJQFDTQPBBU-MSOLQXFVSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699260 857591908 /nfs/dbraw/zinc/59/19/08/857591908.db2.gz ZLQOJQFDTQPBBU-MSOLQXFVSA-N 3 2 352.523 0.141 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2C1 ZINC001246720662 857593268 /nfs/dbraw/zinc/59/32/68/857593268.db2.gz LXBVRAAUZPRGAZ-FNNOIMFVSA-N 3 2 350.507 0.380 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2C1 ZINC001246720662 857593273 /nfs/dbraw/zinc/59/32/73/857593273.db2.gz LXBVRAAUZPRGAZ-FNNOIMFVSA-N 3 2 350.507 0.380 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2C1 ZINC001246720662 857593280 /nfs/dbraw/zinc/59/32/80/857593280.db2.gz LXBVRAAUZPRGAZ-FNNOIMFVSA-N 3 2 350.507 0.380 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2C1 ZINC001246720662 857593290 /nfs/dbraw/zinc/59/32/90/857593290.db2.gz LXBVRAAUZPRGAZ-FNNOIMFVSA-N 3 2 350.507 0.380 20 0 FCADLP C[NH+](C)CCNC(=S)N1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001249833640 857650570 /nfs/dbraw/zinc/65/05/70/857650570.db2.gz GMWHFXFNHLZIET-UHFFFAOYSA-N 2 2 365.551 0.558 20 0 FCADLP O[C@H](CN1CCOCC1)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251009460 857679119 /nfs/dbraw/zinc/67/91/19/857679119.db2.gz OEGIBZXHDPVCOW-IXDOHACOSA-N 2 2 351.516 0.805 20 0 FCADLP O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251009460 857679123 /nfs/dbraw/zinc/67/91/23/857679123.db2.gz OEGIBZXHDPVCOW-IXDOHACOSA-N 2 2 351.516 0.805 20 0 FCADLP O[C@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251009460 857679128 /nfs/dbraw/zinc/67/91/28/857679128.db2.gz OEGIBZXHDPVCOW-IXDOHACOSA-N 2 2 351.516 0.805 20 0 FCADLP O[C@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251009460 857679134 /nfs/dbraw/zinc/67/91/34/857679134.db2.gz OEGIBZXHDPVCOW-IXDOHACOSA-N 2 2 351.516 0.805 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001253181876 857869405 /nfs/dbraw/zinc/86/94/05/857869405.db2.gz IKDFRKDQBDDAFQ-FAJBIJEISA-N 2 2 353.507 0.791 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001253181876 857869410 /nfs/dbraw/zinc/86/94/10/857869410.db2.gz IKDFRKDQBDDAFQ-FAJBIJEISA-N 2 2 353.507 0.791 20 0 FCADLP CCOC(=O)c1n[nH]c([C@H]2CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253395513 857886365 /nfs/dbraw/zinc/88/63/65/857886365.db2.gz ICNPUVOGSRNYBT-QWHCGFSZSA-N 2 2 353.467 0.910 20 0 FCADLP CCOC(=O)c1n[nH]c([C@H]2CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253395513 857886369 /nfs/dbraw/zinc/88/63/69/857886369.db2.gz ICNPUVOGSRNYBT-QWHCGFSZSA-N 2 2 353.467 0.910 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CCS(=O)(=O)CC3)C2)CC1 ZINC001253653508 857899717 /nfs/dbraw/zinc/89/97/17/857899717.db2.gz GFEBDHFCAXYQHH-OAHLLOKOSA-N 2 2 372.535 0.279 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CCS(=O)(=O)CC3)C2)CC1 ZINC001253653508 857899724 /nfs/dbraw/zinc/89/97/24/857899724.db2.gz GFEBDHFCAXYQHH-OAHLLOKOSA-N 2 2 372.535 0.279 20 0 FCADLP COC(C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2)OC ZINC001279586987 862969243 /nfs/dbraw/zinc/96/92/43/862969243.db2.gz ZZBLJCJLCYOPEZ-OAGGEKHMSA-N 2 2 353.463 0.001 20 0 FCADLP COC(C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2)OC ZINC001279586987 862969247 /nfs/dbraw/zinc/96/92/47/862969247.db2.gz ZZBLJCJLCYOPEZ-OAGGEKHMSA-N 2 2 353.463 0.001 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856044 857988075 /nfs/dbraw/zinc/98/80/75/857988075.db2.gz CVYFBWJPMVMIKH-AOIWGVFYSA-N 2 2 351.491 0.857 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856044 857988082 /nfs/dbraw/zinc/98/80/82/857988082.db2.gz CVYFBWJPMVMIKH-AOIWGVFYSA-N 2 2 351.491 0.857 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254857756 857989136 /nfs/dbraw/zinc/98/91/36/857989136.db2.gz CJGRHBXKUPAXSG-IKGGRYGDSA-N 2 2 356.536 0.531 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254857756 857989146 /nfs/dbraw/zinc/98/91/46/857989146.db2.gz CJGRHBXKUPAXSG-IKGGRYGDSA-N 2 2 356.536 0.531 20 0 FCADLP CC[NH+](CC)CC[C@H](C)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001255948166 858041755 /nfs/dbraw/zinc/04/17/55/858041755.db2.gz GKINJSXTDPCQTD-ZFWWWQNUSA-N 2 2 353.467 0.637 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075678 858052200 /nfs/dbraw/zinc/05/22/00/858052200.db2.gz AFVLWMGOIHVQRM-PKOBYXMFSA-N 2 2 351.491 0.999 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075678 858052204 /nfs/dbraw/zinc/05/22/04/858052204.db2.gz AFVLWMGOIHVQRM-PKOBYXMFSA-N 2 2 351.491 0.999 20 0 FCADLP COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256197534 858056424 /nfs/dbraw/zinc/05/64/24/858056424.db2.gz KJIMPVJYPCTTRZ-MRXNPFEDSA-N 2 2 351.447 0.537 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CCC23C[NH+](CCC2CC[NH+](C)CC2)C3)c1 ZINC001279620236 862983840 /nfs/dbraw/zinc/98/38/40/862983840.db2.gz LTEDGRKDAPOQIK-UHFFFAOYSA-N 2 2 367.519 0.601 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001257236487 858130976 /nfs/dbraw/zinc/13/09/76/858130976.db2.gz MKHFKSMCDFHARP-IRXDYDNUSA-N 2 2 364.515 0.869 20 0 FCADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257239507 858131628 /nfs/dbraw/zinc/13/16/28/858131628.db2.gz QWCHHFZEAKUYLE-QGZVFWFLSA-N 2 2 359.536 0.986 20 0 FCADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257239507 858131634 /nfs/dbraw/zinc/13/16/34/858131634.db2.gz QWCHHFZEAKUYLE-QGZVFWFLSA-N 2 2 359.536 0.986 20 0 FCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257602364 858154926 /nfs/dbraw/zinc/15/49/26/858154926.db2.gz RTEXLKXSVMOUQD-DGAVXFQQSA-N 2 2 357.451 0.633 20 0 FCADLP O=S1(=O)CCC(O)(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001261436726 858547707 /nfs/dbraw/zinc/54/77/07/858547707.db2.gz JRKXAWZRJLWHDW-HOTGVXAUSA-N 2 2 360.520 0.284 20 0 FCADLP C[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H]1CC[NH3+] ZINC001262572290 859003666 /nfs/dbraw/zinc/00/36/66/859003666.db2.gz PYNHDMJVDYBOTM-HOCLYGCPSA-N 2 2 374.551 0.654 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC001263199172 859123971 /nfs/dbraw/zinc/12/39/71/859123971.db2.gz YNWGVRBOHFMIAR-AWEZNQCLSA-N 2 2 350.467 0.352 20 0 FCADLP O=C(C[NH+](CCO)CCO)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001270175906 859677850 /nfs/dbraw/zinc/67/78/50/859677850.db2.gz ODABUFJKTLSJIQ-OKILXGFUSA-N 2 2 367.412 0.291 20 0 FCADLP O=C(C[NH+](CCO)CCO)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC001270175906 859677860 /nfs/dbraw/zinc/67/78/60/859677860.db2.gz ODABUFJKTLSJIQ-OKILXGFUSA-N 2 2 367.412 0.291 20 0 FCADLP CC[NH+]1CCC(C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)CC1 ZINC001272090343 860086298 /nfs/dbraw/zinc/08/62/98/860086298.db2.gz FPXZOIZEPLGAED-UHFFFAOYSA-N 2 2 350.507 0.731 20 0 FCADLP Cc1ncsc1C[N@@H+]1CCC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)C1 ZINC001272459454 860158817 /nfs/dbraw/zinc/15/88/17/860158817.db2.gz JAOVTFYCKDXZHL-AWEZNQCLSA-N 2 2 361.471 0.916 20 0 FCADLP Cc1ncsc1C[N@H+]1CCC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)C1 ZINC001272459454 860158823 /nfs/dbraw/zinc/15/88/23/860158823.db2.gz JAOVTFYCKDXZHL-AWEZNQCLSA-N 2 2 361.471 0.916 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ncccc1F)C2 ZINC001275437729 861095618 /nfs/dbraw/zinc/09/56/18/861095618.db2.gz IQYBCBCUTHRNEN-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ncccc1F)C2 ZINC001275437729 861095633 /nfs/dbraw/zinc/09/56/33/861095633.db2.gz IQYBCBCUTHRNEN-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275456315 861101378 /nfs/dbraw/zinc/10/13/78/861101378.db2.gz ZPRDDKDDNLUYFA-QGZVFWFLSA-N 2 2 366.487 0.353 20 0 FCADLP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275456315 861101383 /nfs/dbraw/zinc/10/13/83/861101383.db2.gz ZPRDDKDDNLUYFA-QGZVFWFLSA-N 2 2 366.487 0.353 20 0 FCADLP COCCOCN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275743108 861185224 /nfs/dbraw/zinc/18/52/24/861185224.db2.gz MCPVSZPQUIJBMJ-UHFFFAOYSA-N 2 2 355.479 0.252 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001279992559 863171158 /nfs/dbraw/zinc/17/11/58/863171158.db2.gz FUTCXRFEVQZZGB-IYBDPMFKSA-N 2 2 369.579 0.830 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001279992559 863171161 /nfs/dbraw/zinc/17/11/61/863171161.db2.gz FUTCXRFEVQZZGB-IYBDPMFKSA-N 2 2 369.579 0.830 20 0 FCADLP COC1(CC(=O)N2CCO[C@H]3C[N@@H+](C4CC[NH+](C)CC4)C[C@H]32)CCC1 ZINC001280070716 863241031 /nfs/dbraw/zinc/24/10/31/863241031.db2.gz YFAABDSPHPLXLB-SJORKVTESA-N 2 2 351.491 0.951 20 0 FCADLP COC1(CC(=O)N2CCO[C@H]3C[N@H+](C4CC[NH+](C)CC4)C[C@H]32)CCC1 ZINC001280070716 863241046 /nfs/dbraw/zinc/24/10/46/863241046.db2.gz YFAABDSPHPLXLB-SJORKVTESA-N 2 2 351.491 0.951 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001280071125 863242253 /nfs/dbraw/zinc/24/22/53/863242253.db2.gz LOXOZWATXHWFAS-DZGCQCFKSA-N 2 2 353.492 0.209 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)[C@@H]3C2)c1 ZINC001280071125 863242268 /nfs/dbraw/zinc/24/22/68/863242268.db2.gz LOXOZWATXHWFAS-DZGCQCFKSA-N 2 2 353.492 0.209 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)[NH+](C)C ZINC001281838654 863804135 /nfs/dbraw/zinc/80/41/35/863804135.db2.gz JZBKVZNWVRXFEW-RBSFLKMASA-N 2 2 351.451 0.025 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OC)[NH+](C)C ZINC001281862134 863838675 /nfs/dbraw/zinc/83/86/75/863838675.db2.gz JVECVPYWXSGJTR-QLFBSQMISA-N 2 2 351.451 0.025 20 0 FCADLP COC[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001283332220 864493718 /nfs/dbraw/zinc/49/37/18/864493718.db2.gz SSUUSZQQLKPBIE-ARFHVFGLSA-N 2 2 350.463 0.454 20 0 FCADLP COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001283332220 864493721 /nfs/dbraw/zinc/49/37/21/864493721.db2.gz SSUUSZQQLKPBIE-ARFHVFGLSA-N 2 2 350.463 0.454 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648265 866403499 /nfs/dbraw/zinc/40/34/99/866403499.db2.gz ILKFALMKNYMSCW-ROUUACIJSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648265 866403504 /nfs/dbraw/zinc/40/35/04/866403504.db2.gz ILKFALMKNYMSCW-ROUUACIJSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001349648265 866403514 /nfs/dbraw/zinc/40/35/14/866403514.db2.gz ILKFALMKNYMSCW-ROUUACIJSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001349648265 866403526 /nfs/dbraw/zinc/40/35/26/866403526.db2.gz ILKFALMKNYMSCW-ROUUACIJSA-N 2 2 367.515 0.624 20 0 FCADLP COCC[NH+]1CCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2C)CC1 ZINC001351240221 866819827 /nfs/dbraw/zinc/81/98/27/866819827.db2.gz DALUEHBRWFTXDF-OAHLLOKOSA-N 2 2 352.483 0.365 20 0 FCADLP COCC[NH+]1CCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2C)CC1 ZINC001351240221 866819844 /nfs/dbraw/zinc/81/98/44/866819844.db2.gz DALUEHBRWFTXDF-OAHLLOKOSA-N 2 2 352.483 0.365 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001351419784 866854783 /nfs/dbraw/zinc/85/47/83/866854783.db2.gz DWVDKFIFEWWDPZ-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001351419784 866854791 /nfs/dbraw/zinc/85/47/91/866854791.db2.gz DWVDKFIFEWWDPZ-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001351419784 866854804 /nfs/dbraw/zinc/85/48/04/866854804.db2.gz DWVDKFIFEWWDPZ-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001351419784 866854820 /nfs/dbraw/zinc/85/48/20/866854820.db2.gz DWVDKFIFEWWDPZ-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001311891425 867127693 /nfs/dbraw/zinc/12/76/93/867127693.db2.gz MAUGMLDYGQWOMM-HNNXBMFYSA-N 2 2 360.524 0.231 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001311891425 867127705 /nfs/dbraw/zinc/12/77/05/867127705.db2.gz MAUGMLDYGQWOMM-HNNXBMFYSA-N 2 2 360.524 0.231 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCCc2cccs2)CC[N@@H+]1C ZINC001317445789 867532917 /nfs/dbraw/zinc/53/29/17/867532917.db2.gz JJORSXJJPXULDF-GDBMZVCRSA-N 2 2 366.531 0.795 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCCc2cccs2)CC[N@H+]1C ZINC001317445789 867532925 /nfs/dbraw/zinc/53/29/25/867532925.db2.gz JJORSXJJPXULDF-GDBMZVCRSA-N 2 2 366.531 0.795 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)NCCc2cccs2)CC[NH+]1C ZINC001317445789 867532933 /nfs/dbraw/zinc/53/29/33/867532933.db2.gz JJORSXJJPXULDF-GDBMZVCRSA-N 2 2 366.531 0.795 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCCc2cccs2)CC[NH+]1C ZINC001317445789 867532945 /nfs/dbraw/zinc/53/29/45/867532945.db2.gz JJORSXJJPXULDF-GDBMZVCRSA-N 2 2 366.531 0.795 20 0 FCADLP COC(=O)CC[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001354215675 867564056 /nfs/dbraw/zinc/56/40/56/867564056.db2.gz ATABKHPVGQQGNF-UONOGXRCSA-N 2 2 352.435 0.029 20 0 FCADLP COC(=O)CC[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001354215675 867564072 /nfs/dbraw/zinc/56/40/72/867564072.db2.gz ATABKHPVGQQGNF-UONOGXRCSA-N 2 2 352.435 0.029 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001318647806 867716228 /nfs/dbraw/zinc/71/62/28/867716228.db2.gz ZWMSUEGMJIYSSP-UHFFFAOYSA-N 2 2 374.551 0.479 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001318857488 867766291 /nfs/dbraw/zinc/76/62/91/867766291.db2.gz OJSDJKVMHDCUGN-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001318857488 867766296 /nfs/dbraw/zinc/76/62/96/867766296.db2.gz OJSDJKVMHDCUGN-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001319044818 867815484 /nfs/dbraw/zinc/81/54/84/867815484.db2.gz CWRKSAIJGOGBJQ-MRXNPFEDSA-N 2 2 372.535 0.375 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001319044818 867815492 /nfs/dbraw/zinc/81/54/92/867815492.db2.gz CWRKSAIJGOGBJQ-MRXNPFEDSA-N 2 2 372.535 0.375 20 0 FCADLP CC(C)(CO)N1CC[NH+](CCCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC001319596196 867959226 /nfs/dbraw/zinc/95/92/26/867959226.db2.gz HGZKZKSNTBQUHB-UHFFFAOYSA-N 2 2 356.555 0.154 20 0 FCADLP COCCCN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001322021843 868712318 /nfs/dbraw/zinc/71/23/18/868712318.db2.gz XMBGTTGDQQZCGJ-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(=O)N1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322746806 868929580 /nfs/dbraw/zinc/92/95/80/868929580.db2.gz IXTXWAVJFPVJQD-SFHVURJKSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CCC(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322746806 868929585 /nfs/dbraw/zinc/92/95/85/868929585.db2.gz IXTXWAVJFPVJQD-SFHVURJKSA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777923 868942676 /nfs/dbraw/zinc/94/26/76/868942676.db2.gz CJNINFXTLHBTIV-OLZOCXBDSA-N 2 2 358.433 0.575 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777923 868942683 /nfs/dbraw/zinc/94/26/83/868942683.db2.gz CJNINFXTLHBTIV-OLZOCXBDSA-N 2 2 358.433 0.575 20 0 FCADLP CN(C(=O)C(=O)NC1CCSCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323788301 869357915 /nfs/dbraw/zinc/35/79/15/869357915.db2.gz YSHPMABRUWVIKH-MRXNPFEDSA-N 2 2 368.547 0.625 20 0 FCADLP CN(C(=O)C(=O)NC1CCSCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323788301 869357926 /nfs/dbraw/zinc/35/79/26/869357926.db2.gz YSHPMABRUWVIKH-MRXNPFEDSA-N 2 2 368.547 0.625 20 0 FCADLP CN(CCC1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324881125 869702603 /nfs/dbraw/zinc/70/26/03/869702603.db2.gz LHVSKGNVQCZCMQ-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CCC1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324881125 869702608 /nfs/dbraw/zinc/70/26/08/869702608.db2.gz LHVSKGNVQCZCMQ-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001326401774 870297516 /nfs/dbraw/zinc/29/75/16/870297516.db2.gz OEWXCKGKPWPUMW-XJKSGUPXSA-N 2 2 368.547 0.671 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[NH2+]CC1 ZINC001326408749 870300309 /nfs/dbraw/zinc/30/03/09/870300309.db2.gz MSTGWSPXDVQRBR-UHFFFAOYSA-N 2 2 354.476 0.045 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001326843060 870525869 /nfs/dbraw/zinc/52/58/69/870525869.db2.gz OYAYHHHQBKZTJO-SFHVURJKSA-N 2 2 352.523 0.772 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001327958785 871156841 /nfs/dbraw/zinc/15/68/41/871156841.db2.gz ZOZHVBAJTCJRRC-FUHWJXTLSA-N 2 2 368.499 0.966 20 0 FCADLP CC[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383493 871400340 /nfs/dbraw/zinc/40/03/40/871400340.db2.gz BOPQQOAIIPZKOB-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383493 871400356 /nfs/dbraw/zinc/40/03/56/871400356.db2.gz BOPQQOAIIPZKOB-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP COc1ccc([C@@H](CCO)NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001346569525 871911165 /nfs/dbraw/zinc/91/11/65/871911165.db2.gz JTOQMRYCEVBTDK-QGZVFWFLSA-N 2 2 350.463 0.841 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC001346570097 871911262 /nfs/dbraw/zinc/91/12/62/871911262.db2.gz PMVMTCWQLWGKOX-DLBZAZTESA-N 3 2 353.511 0.337 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001329863763 872319491 /nfs/dbraw/zinc/31/94/91/872319491.db2.gz AXGZOIBSKGRVTL-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001329863763 872319507 /nfs/dbraw/zinc/31/95/07/872319507.db2.gz AXGZOIBSKGRVTL-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963637 873316278 /nfs/dbraw/zinc/31/62/78/873316278.db2.gz IFULMJRULWBULB-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963637 873316294 /nfs/dbraw/zinc/31/62/94/873316294.db2.gz IFULMJRULWBULB-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1Cl ZINC001332215098 873412344 /nfs/dbraw/zinc/41/23/44/873412344.db2.gz KHQGCCHUUQYZIZ-SLEUVZQESA-N 2 2 350.850 0.632 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccnc(Cl)c3)C2)CC1 ZINC001336713851 874030713 /nfs/dbraw/zinc/03/07/13/874030713.db2.gz LSWBGACGHNXHMJ-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccnc(Cl)c3)C2)CC1 ZINC001336713851 874030699 /nfs/dbraw/zinc/03/06/99/874030699.db2.gz LSWBGACGHNXHMJ-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824547623 946791096 /nfs/dbraw/zinc/79/10/96/946791096.db2.gz QSVMGBURZPYCAP-MAUKXSAKSA-N 2 2 371.489 0.924 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574941671 949310651 /nfs/dbraw/zinc/31/06/51/949310651.db2.gz FWDIIWYULHJXDC-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574941671 949310670 /nfs/dbraw/zinc/31/06/70/949310670.db2.gz FWDIIWYULHJXDC-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574941670 949311348 /nfs/dbraw/zinc/31/13/48/949311348.db2.gz FWDIIWYULHJXDC-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574941670 949311367 /nfs/dbraw/zinc/31/13/67/949311367.db2.gz FWDIIWYULHJXDC-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574948374 949461343 /nfs/dbraw/zinc/46/13/43/949461343.db2.gz IIHHDBKDJSBBLN-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574948374 949461353 /nfs/dbraw/zinc/46/13/53/949461353.db2.gz IIHHDBKDJSBBLN-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574492072 950064490 /nfs/dbraw/zinc/06/44/90/950064490.db2.gz IUABREOMWYOIRA-QWHCGFSZSA-N 2 2 367.417 0.804 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575910400 950416852 /nfs/dbraw/zinc/41/68/52/950416852.db2.gz KTDYULSXBLGSQV-XJKSGUPXSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204039 950454086 /nfs/dbraw/zinc/45/40/86/950454086.db2.gz KEMRFEBBCLIUAK-KBPBESRZSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206644 950578702 /nfs/dbraw/zinc/57/87/02/950578702.db2.gz YMPJBLMWZRKGAB-KGLIPLIRSA-N 2 2 370.461 0.546 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206644 950578723 /nfs/dbraw/zinc/57/87/23/950578723.db2.gz YMPJBLMWZRKGAB-KGLIPLIRSA-N 2 2 370.461 0.546 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576208340 950610472 /nfs/dbraw/zinc/61/04/72/950610472.db2.gz OGSYLDZCVISMDC-CYBMUJFWSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576208340 950610487 /nfs/dbraw/zinc/61/04/87/950610487.db2.gz OGSYLDZCVISMDC-CYBMUJFWSA-N 2 2 370.461 0.689 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571025966 951464278 /nfs/dbraw/zinc/46/42/78/951464278.db2.gz OBTZKVXZEKFWTR-UHFFFAOYSA-N 2 2 366.429 0.912 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571026200 951471863 /nfs/dbraw/zinc/47/18/63/951471863.db2.gz VMHNIAATJSJVSY-HNNXBMFYSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571026200 951471868 /nfs/dbraw/zinc/47/18/68/951471868.db2.gz VMHNIAATJSJVSY-HNNXBMFYSA-N 2 2 366.429 0.533 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571027068 951487557 /nfs/dbraw/zinc/48/75/57/951487557.db2.gz FUVJSOYXKNGKCC-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571027665 951498256 /nfs/dbraw/zinc/49/82/56/951498256.db2.gz KYBJMAYPZQUYNH-HNNXBMFYSA-N 2 2 366.429 0.913 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575109543 951931443 /nfs/dbraw/zinc/93/14/43/951931443.db2.gz SELBOTTUAKQKRG-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113846 951947672 /nfs/dbraw/zinc/94/76/72/951947672.db2.gz GZLMAQCFDXKURJ-ZDUSSCGKSA-N 2 2 368.445 0.685 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114546 951956977 /nfs/dbraw/zinc/95/69/77/951956977.db2.gz QBNOTLNRRCYUKI-CQSZACIVSA-N 2 2 368.445 0.995 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571076089 952103476 /nfs/dbraw/zinc/10/34/76/952103476.db2.gz KYBSOKDYJXOJEM-CQSZACIVSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571078301 952127245 /nfs/dbraw/zinc/12/72/45/952127245.db2.gz NTYNDMAJERZMSQ-CJNGLKHVSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571078301 952127250 /nfs/dbraw/zinc/12/72/50/952127250.db2.gz NTYNDMAJERZMSQ-CJNGLKHVSA-N 2 2 370.461 0.571 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001575145427 952184325 /nfs/dbraw/zinc/18/43/25/952184325.db2.gz XPXVCKPKGQFEIM-DOMZBBRYSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575145427 952184330 /nfs/dbraw/zinc/18/43/30/952184330.db2.gz XPXVCKPKGQFEIM-DOMZBBRYSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001575145430 952184816 /nfs/dbraw/zinc/18/48/16/952184816.db2.gz XPXVCKPKGQFEIM-WFASDCNBSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001575145430 952184818 /nfs/dbraw/zinc/18/48/18/952184818.db2.gz XPXVCKPKGQFEIM-WFASDCNBSA-N 2 2 358.450 0.427 20 0 FCADLP COC(=O)CN1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000293590668 214186565 /nfs/dbraw/zinc/18/65/65/214186565.db2.gz IJYPZNXYQCYXNI-LJQANCHMSA-N 2 2 361.486 0.633 20 0 FCADLP COC(=O)CN1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000293590668 214186567 /nfs/dbraw/zinc/18/65/67/214186567.db2.gz IJYPZNXYQCYXNI-LJQANCHMSA-N 2 2 361.486 0.633 20 0 FCADLP C[C@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+](C)C ZINC000293631228 214189284 /nfs/dbraw/zinc/18/92/84/214189284.db2.gz CTMGFMMXPNFQAH-MRXNPFEDSA-N 2 2 361.490 0.824 20 0 FCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000294514259 214250243 /nfs/dbraw/zinc/25/02/43/214250243.db2.gz DRHWIRDRIUQUTH-IAGOWNOFSA-N 2 2 361.490 0.117 20 0 FCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000294514259 214250245 /nfs/dbraw/zinc/25/02/45/214250245.db2.gz DRHWIRDRIUQUTH-IAGOWNOFSA-N 2 2 361.490 0.117 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294580588 214254097 /nfs/dbraw/zinc/25/40/97/214254097.db2.gz YQOJSLHOKAKNOS-CQSZACIVSA-N 2 2 350.467 0.260 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000294580588 214254101 /nfs/dbraw/zinc/25/41/01/214254101.db2.gz YQOJSLHOKAKNOS-CQSZACIVSA-N 2 2 350.467 0.260 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413863790 529598055 /nfs/dbraw/zinc/59/80/55/529598055.db2.gz IKPQKDLGAYWEHO-QZTJIDSGSA-N 2 2 371.522 0.681 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000413863790 529598056 /nfs/dbraw/zinc/59/80/56/529598056.db2.gz IKPQKDLGAYWEHO-QZTJIDSGSA-N 2 2 371.522 0.681 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000409448429 529862034 /nfs/dbraw/zinc/86/20/34/529862034.db2.gz KKAQTWWZKMXWMO-OAHLLOKOSA-N 2 2 355.508 0.362 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000409448429 529862036 /nfs/dbraw/zinc/86/20/36/529862036.db2.gz KKAQTWWZKMXWMO-OAHLLOKOSA-N 2 2 355.508 0.362 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000409448429 529862037 /nfs/dbraw/zinc/86/20/37/529862037.db2.gz KKAQTWWZKMXWMO-OAHLLOKOSA-N 2 2 355.508 0.362 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000409448429 529862038 /nfs/dbraw/zinc/86/20/38/529862038.db2.gz KKAQTWWZKMXWMO-OAHLLOKOSA-N 2 2 355.508 0.362 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000331479697 215002730 /nfs/dbraw/zinc/00/27/30/215002730.db2.gz NEESKSCVBSLEOX-UHFFFAOYSA-N 2 2 363.462 0.519 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000331479697 215002731 /nfs/dbraw/zinc/00/27/31/215002731.db2.gz NEESKSCVBSLEOX-UHFFFAOYSA-N 2 2 363.462 0.519 20 0 FCADLP CC[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000265357278 210105418 /nfs/dbraw/zinc/10/54/18/210105418.db2.gz CWDVNAYYRRPSKQ-QGZVFWFLSA-N 2 2 360.506 0.939 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000331535165 215012368 /nfs/dbraw/zinc/01/23/68/215012368.db2.gz MCZSIZQVLRCIIX-AWEZNQCLSA-N 2 2 374.493 0.925 20 0 FCADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587329 215019620 /nfs/dbraw/zinc/01/96/20/215019620.db2.gz NMBWTRNZSXDMTC-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587329 215019622 /nfs/dbraw/zinc/01/96/22/215019622.db2.gz NMBWTRNZSXDMTC-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331678813 215032898 /nfs/dbraw/zinc/03/28/98/215032898.db2.gz QAOMIARGKHKHNO-JKSUJKDBSA-N 2 2 364.515 0.897 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265110300 210056613 /nfs/dbraw/zinc/05/66/13/210056613.db2.gz RSNLIGMXDNCEDA-UHFFFAOYSA-N 2 2 360.443 0.371 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000265122322 210059074 /nfs/dbraw/zinc/05/90/74/210059074.db2.gz VXTSQXOMRYZJBC-KBPBESRZSA-N 2 2 372.429 0.431 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000332009254 215079052 /nfs/dbraw/zinc/07/90/52/215079052.db2.gz CWIVIERJFZFWIA-IAGOWNOFSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000332009254 215079053 /nfs/dbraw/zinc/07/90/53/215079053.db2.gz CWIVIERJFZFWIA-IAGOWNOFSA-N 2 2 373.501 0.837 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)c1nc(CNC(=O)[C@H]2CCC[NH+]2C)cs1 ZINC000265007412 210036817 /nfs/dbraw/zinc/03/68/17/210036817.db2.gz YWNWYDHIEPYDRH-KGLIPLIRSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)c1nc(CNC(=O)[C@H]2CCC[NH+]2C)cs1 ZINC000265007412 210036820 /nfs/dbraw/zinc/03/68/20/210036820.db2.gz YWNWYDHIEPYDRH-KGLIPLIRSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC000265007412 210036821 /nfs/dbraw/zinc/03/68/21/210036821.db2.gz YWNWYDHIEPYDRH-KGLIPLIRSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC000265007412 210036824 /nfs/dbraw/zinc/03/68/24/210036824.db2.gz YWNWYDHIEPYDRH-KGLIPLIRSA-N 2 2 365.503 0.911 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000332090463 215092683 /nfs/dbraw/zinc/09/26/83/215092683.db2.gz VGMXNACLUHFMSA-GASCZTMLSA-N 2 2 366.506 0.297 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@H]1C ZINC000332519457 215165639 /nfs/dbraw/zinc/16/56/39/215165639.db2.gz BMUGVGHAMCBFKT-CABCVRRESA-N 2 2 374.489 0.375 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@H]1C ZINC000332519457 215165641 /nfs/dbraw/zinc/16/56/41/215165641.db2.gz BMUGVGHAMCBFKT-CABCVRRESA-N 2 2 374.489 0.375 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000332499663 215161564 /nfs/dbraw/zinc/16/15/64/215161564.db2.gz YMHIRUSEKKEKHY-KGLIPLIRSA-N 2 2 350.488 0.774 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332523156 215167696 /nfs/dbraw/zinc/16/76/96/215167696.db2.gz ATUBYTCXKDKIQE-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000332525007 215167794 /nfs/dbraw/zinc/16/77/94/215167794.db2.gz RKLZENNOYDAEOP-GOEBONIOSA-N 2 2 359.474 0.482 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1C ZINC000332563225 215179976 /nfs/dbraw/zinc/17/99/76/215179976.db2.gz WDZIPXMAUAUIGO-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1C ZINC000332563225 215179978 /nfs/dbraw/zinc/17/99/78/215179978.db2.gz WDZIPXMAUAUIGO-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000332661690 215199979 /nfs/dbraw/zinc/19/99/79/215199979.db2.gz ODAZVMFDXUBIOK-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000332991055 215222273 /nfs/dbraw/zinc/22/22/73/215222273.db2.gz KUHJIPDFFPMCEY-ZACQAIPSSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000332991055 215222275 /nfs/dbraw/zinc/22/22/75/215222275.db2.gz KUHJIPDFFPMCEY-ZACQAIPSSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333142985 215240524 /nfs/dbraw/zinc/24/05/24/215240524.db2.gz KQGFMRWEORUKBC-NXHRZFHOSA-N 2 2 368.522 0.726 20 0 FCADLP NC(=O)N1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000333201100 215250355 /nfs/dbraw/zinc/25/03/55/215250355.db2.gz ZDWYBZWVSTWMEJ-UHFFFAOYSA-N 2 2 365.503 0.479 20 0 FCADLP NC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000333201100 215250357 /nfs/dbraw/zinc/25/03/57/215250357.db2.gz ZDWYBZWVSTWMEJ-UHFFFAOYSA-N 2 2 365.503 0.479 20 0 FCADLP NC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000333201100 215250361 /nfs/dbraw/zinc/25/03/61/215250361.db2.gz ZDWYBZWVSTWMEJ-UHFFFAOYSA-N 2 2 365.503 0.479 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCOCC2)O1 ZINC000333368441 215270973 /nfs/dbraw/zinc/27/09/73/215270973.db2.gz YXEXOVSVPWHLLG-OAHLLOKOSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCOCC2)O1 ZINC000333368441 215270974 /nfs/dbraw/zinc/27/09/74/215270974.db2.gz YXEXOVSVPWHLLG-OAHLLOKOSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H](NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333386634 215273578 /nfs/dbraw/zinc/27/35/78/215273578.db2.gz OFWKFWOXZHRGQQ-VEZWFGLTSA-N 2 2 367.538 0.611 20 0 FCADLP C[C@@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333386634 215273583 /nfs/dbraw/zinc/27/35/83/215273583.db2.gz OFWKFWOXZHRGQQ-VEZWFGLTSA-N 2 2 367.538 0.611 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000333407415 215277040 /nfs/dbraw/zinc/27/70/40/215277040.db2.gz GKTKSZYHCSZPCP-UHFFFAOYSA-N 2 2 373.461 0.117 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000333546769 215296518 /nfs/dbraw/zinc/29/65/18/215296518.db2.gz TURSUEXOXKUHEX-QGZVFWFLSA-N 2 2 354.495 0.463 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000333546769 215296521 /nfs/dbraw/zinc/29/65/21/215296521.db2.gz TURSUEXOXKUHEX-QGZVFWFLSA-N 2 2 354.495 0.463 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333632512 215303129 /nfs/dbraw/zinc/30/31/29/215303129.db2.gz GWCGCQHHLZOCLL-HOTGVXAUSA-N 2 2 351.495 0.324 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333641340 215304036 /nfs/dbraw/zinc/30/40/36/215304036.db2.gz XIQCHEJZAKAQLG-BZUAXINKSA-N 2 2 357.520 0.804 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333650565 215305007 /nfs/dbraw/zinc/30/50/07/215305007.db2.gz JSVHKEKBJQXMBA-IXDOHACOSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000333695405 215308585 /nfs/dbraw/zinc/30/85/85/215308585.db2.gz QDTKBMPTGGCCCL-BRWVUGGUSA-N 2 2 365.522 0.985 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333686061 215309556 /nfs/dbraw/zinc/30/95/56/215309556.db2.gz PHIRQLVRBMNWHO-YESZJQIVSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863984 215325810 /nfs/dbraw/zinc/32/58/10/215325810.db2.gz QNPJXWGYWXLWPB-ULQDDVLXSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863984 215325813 /nfs/dbraw/zinc/32/58/13/215325813.db2.gz QNPJXWGYWXLWPB-ULQDDVLXSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863982 215326138 /nfs/dbraw/zinc/32/61/38/215326138.db2.gz QNPJXWGYWXLWPB-BBWFWOEESA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863982 215326141 /nfs/dbraw/zinc/32/61/41/215326141.db2.gz QNPJXWGYWXLWPB-BBWFWOEESA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333874049 215327163 /nfs/dbraw/zinc/32/71/63/215327163.db2.gz VBFUTILUEOMBNO-OCCSQVGLSA-N 2 2 358.450 0.193 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC000334051369 215340007 /nfs/dbraw/zinc/34/00/07/215340007.db2.gz SACPPNXSWBKQLG-OAHLLOKOSA-N 2 2 372.535 0.039 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000285773125 213394143 /nfs/dbraw/zinc/39/41/43/213394143.db2.gz FCNPIGCDBMOROC-OAHLLOKOSA-N 2 2 365.478 0.125 20 0 FCADLP COCCCNC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285607176 213366052 /nfs/dbraw/zinc/36/60/52/213366052.db2.gz YRMVVVBETQLFDC-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP COCCCNC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285607176 213366054 /nfs/dbraw/zinc/36/60/54/213366054.db2.gz YRMVVVBETQLFDC-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP Cc1ncc2c(n1)CC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C2 ZINC000363131319 215480629 /nfs/dbraw/zinc/48/06/29/215480629.db2.gz JXCZARJFDHERSF-MRXNPFEDSA-N 2 2 360.506 0.968 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000284599811 213177538 /nfs/dbraw/zinc/17/75/38/213177538.db2.gz XLDSFLMZUIAWQH-HNNXBMFYSA-N 2 2 359.474 0.767 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000284574934 213172821 /nfs/dbraw/zinc/17/28/21/213172821.db2.gz VAWLCKUWZDVOOY-UHFFFAOYSA-N 2 2 359.430 0.293 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000284580342 213171745 /nfs/dbraw/zinc/17/17/45/213171745.db2.gz WNQHWJHPTWPNGZ-UHFFFAOYSA-N 2 2 365.478 0.315 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCOCC1 ZINC000284538108 213163827 /nfs/dbraw/zinc/16/38/27/213163827.db2.gz UPCAUBNXQDTOAH-ZNMIVQPWSA-N 2 2 366.462 0.224 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284452704 213143137 /nfs/dbraw/zinc/14/31/37/213143137.db2.gz FFWGLBIRHLGMDA-INIZCTEOSA-N 2 2 361.490 0.858 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284452704 213143140 /nfs/dbraw/zinc/14/31/40/213143140.db2.gz FFWGLBIRHLGMDA-INIZCTEOSA-N 2 2 361.490 0.858 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000284423131 213136863 /nfs/dbraw/zinc/13/68/63/213136863.db2.gz OHIPJSSPLKGWOZ-OAHLLOKOSA-N 2 2 366.462 0.179 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288932 213104671 /nfs/dbraw/zinc/10/46/71/213104671.db2.gz MLZPGPRIJGHMIN-HZPDHXFCSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288932 213104674 /nfs/dbraw/zinc/10/46/74/213104674.db2.gz MLZPGPRIJGHMIN-HZPDHXFCSA-N 2 2 357.458 0.473 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000284225382 213100616 /nfs/dbraw/zinc/10/06/16/213100616.db2.gz JZLAYCPKQUJLEM-AWEZNQCLSA-N 2 2 365.478 0.001 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000284225382 213100618 /nfs/dbraw/zinc/10/06/18/213100618.db2.gz JZLAYCPKQUJLEM-AWEZNQCLSA-N 2 2 365.478 0.001 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284149202 213086198 /nfs/dbraw/zinc/08/61/98/213086198.db2.gz XXVWUMGBZJNJOF-INIZCTEOSA-N 2 2 355.442 0.732 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284149202 213086202 /nfs/dbraw/zinc/08/62/02/213086202.db2.gz XXVWUMGBZJNJOF-INIZCTEOSA-N 2 2 355.442 0.732 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284122582 213079692 /nfs/dbraw/zinc/07/96/92/213079692.db2.gz VONUKOLOBKPTDS-HNNXBMFYSA-N 2 2 357.458 0.793 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284122582 213079693 /nfs/dbraw/zinc/07/96/93/213079693.db2.gz VONUKOLOBKPTDS-HNNXBMFYSA-N 2 2 357.458 0.793 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000284101834 213073394 /nfs/dbraw/zinc/07/33/94/213073394.db2.gz WGKOZBWEOVNDNA-HNNXBMFYSA-N 2 2 369.469 0.603 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000283887759 213028039 /nfs/dbraw/zinc/02/80/39/213028039.db2.gz LONNUTJNMBYNIK-OAHLLOKOSA-N 2 2 373.457 0.645 20 0 FCADLP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000283856910 213021103 /nfs/dbraw/zinc/02/11/03/213021103.db2.gz JFZPHBGWBCSRFU-UHFFFAOYSA-N 2 2 359.430 0.256 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC000412104713 237170191 /nfs/dbraw/zinc/17/01/91/237170191.db2.gz OCOLHGVDEQYQFD-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC000412104713 237170205 /nfs/dbraw/zinc/17/02/05/237170205.db2.gz OCOLHGVDEQYQFD-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000412437286 237214237 /nfs/dbraw/zinc/21/42/37/237214237.db2.gz QPXOUSVUUMBMLN-SFHVURJKSA-N 2 2 371.522 0.585 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000413235622 237297478 /nfs/dbraw/zinc/29/74/78/237297478.db2.gz JQBZMIJQCQHCBA-HOTGVXAUSA-N 2 2 372.510 0.084 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000367392727 216116932 /nfs/dbraw/zinc/11/69/32/216116932.db2.gz UAXOGSKADYDNGU-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067368 216198786 /nfs/dbraw/zinc/19/87/86/216198786.db2.gz WTUKKUUYVSWZLK-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067368 216198790 /nfs/dbraw/zinc/19/87/90/216198790.db2.gz WTUKKUUYVSWZLK-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCO1 ZINC000368067368 216198793 /nfs/dbraw/zinc/19/87/93/216198793.db2.gz WTUKKUUYVSWZLK-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCO1 ZINC000368067368 216198797 /nfs/dbraw/zinc/19/87/97/216198797.db2.gz WTUKKUUYVSWZLK-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP CC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1CCOC ZINC000368179427 216212757 /nfs/dbraw/zinc/21/27/57/216212757.db2.gz NRFWOWPYIGZXIP-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368179427 216212760 /nfs/dbraw/zinc/21/27/60/216212760.db2.gz NRFWOWPYIGZXIP-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179427 216212763 /nfs/dbraw/zinc/21/27/63/216212763.db2.gz NRFWOWPYIGZXIP-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179427 216212766 /nfs/dbraw/zinc/21/27/66/216212766.db2.gz NRFWOWPYIGZXIP-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000246377198 209384377 /nfs/dbraw/zinc/38/43/77/209384377.db2.gz QNCVTFRNPQCOLL-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245904818 209377620 /nfs/dbraw/zinc/37/76/20/209377620.db2.gz SWRBNDVHUHVADF-IKGGRYGDSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000245904818 209377622 /nfs/dbraw/zinc/37/76/22/209377622.db2.gz SWRBNDVHUHVADF-IKGGRYGDSA-N 2 2 356.511 0.440 20 0 FCADLP [NH3+]C1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000237914148 209361269 /nfs/dbraw/zinc/36/12/69/209361269.db2.gz DDQIPXWNDJZWJH-UHFFFAOYSA-N 2 2 359.474 0.898 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000237652252 209354817 /nfs/dbraw/zinc/35/48/17/209354817.db2.gz ZCKRTFPFCPIQRS-IAGOWNOFSA-N 2 2 362.518 0.921 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC[NH2+]CC3)c2)CC1 ZINC000237227272 209349466 /nfs/dbraw/zinc/34/94/66/209349466.db2.gz LGHYTEDJMGNOSZ-UHFFFAOYSA-N 2 2 366.487 0.561 20 0 FCADLP CC[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000236963163 209345661 /nfs/dbraw/zinc/34/56/61/209345661.db2.gz XKPDTGXXPJTOQW-IRXDYDNUSA-N 2 2 367.515 0.702 20 0 FCADLP CC[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000236963163 209345664 /nfs/dbraw/zinc/34/56/64/209345664.db2.gz XKPDTGXXPJTOQW-IRXDYDNUSA-N 2 2 367.515 0.702 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000195466800 209336561 /nfs/dbraw/zinc/33/65/61/209336561.db2.gz LIYHSFXXJNEWDM-HOTGVXAUSA-N 2 2 363.506 0.074 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3C(=O)NCC[C@@H]3C)CC2)cc1 ZINC000193612997 209314185 /nfs/dbraw/zinc/31/41/85/209314185.db2.gz DRQINUVIATYNGD-KXBFYZLASA-N 2 2 374.485 0.454 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000193446070 209313065 /nfs/dbraw/zinc/31/30/65/209313065.db2.gz KCBAITHAMFDNJM-GOSISDBHSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000193446070 209313068 /nfs/dbraw/zinc/31/30/68/209313068.db2.gz KCBAITHAMFDNJM-GOSISDBHSA-N 2 2 352.523 0.772 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000193662879 209316585 /nfs/dbraw/zinc/31/65/85/209316585.db2.gz DIMCMUFAMBXEON-HNNXBMFYSA-N 2 2 356.430 0.727 20 0 FCADLP CN(C(=O)NCCCO[C@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368434806 216246339 /nfs/dbraw/zinc/24/63/39/216246339.db2.gz UWQJIWGDMNXGRU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCCO[C@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368434806 216246342 /nfs/dbraw/zinc/24/63/42/216246342.db2.gz UWQJIWGDMNXGRU-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H]1CC ZINC000368656228 216276808 /nfs/dbraw/zinc/27/68/08/216276808.db2.gz VATJUKPNHDQNIH-NPYXIHBLSA-N 2 2 351.491 0.760 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H]1CC ZINC000368656228 216276812 /nfs/dbraw/zinc/27/68/12/216276812.db2.gz VATJUKPNHDQNIH-NPYXIHBLSA-N 2 2 351.491 0.760 20 0 FCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)n(C)c1=O ZINC000192356025 209299612 /nfs/dbraw/zinc/29/96/12/209299612.db2.gz BICLNYIPRDJZPG-GOSISDBHSA-N 2 2 372.469 0.465 20 0 FCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)n(C)c1=O ZINC000192356025 209299615 /nfs/dbraw/zinc/29/96/15/209299615.db2.gz BICLNYIPRDJZPG-GOSISDBHSA-N 2 2 372.469 0.465 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000192276175 209298772 /nfs/dbraw/zinc/29/87/72/209298772.db2.gz OUCUGIQMBBGACZ-HNNXBMFYSA-N 2 2 362.478 0.450 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000192276175 209298774 /nfs/dbraw/zinc/29/87/74/209298774.db2.gz OUCUGIQMBBGACZ-HNNXBMFYSA-N 2 2 362.478 0.450 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@]34CCOC4=O)C2)CC1 ZINC000368726980 216287468 /nfs/dbraw/zinc/28/74/68/216287468.db2.gz JBMGTZMBKGGJBZ-KDOFPFPSSA-N 2 2 350.463 0.646 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@]34CCOC4=O)C2)CC1 ZINC000368726980 216287469 /nfs/dbraw/zinc/28/74/69/216287469.db2.gz JBMGTZMBKGGJBZ-KDOFPFPSSA-N 2 2 350.463 0.646 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000190856347 209278355 /nfs/dbraw/zinc/27/83/55/209278355.db2.gz BGFCBJVDFLAIRV-ZWKOTPCHSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000190856347 209278357 /nfs/dbraw/zinc/27/83/57/209278357.db2.gz BGFCBJVDFLAIRV-ZWKOTPCHSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273923 216373682 /nfs/dbraw/zinc/37/36/82/216373682.db2.gz KWHCSOUUEJJCMH-CYBMUJFWSA-N 2 2 373.457 0.733 20 0 FCADLP Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273923 216373684 /nfs/dbraw/zinc/37/36/84/216373684.db2.gz KWHCSOUUEJJCMH-CYBMUJFWSA-N 2 2 373.457 0.733 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275571 216377495 /nfs/dbraw/zinc/37/74/95/216377495.db2.gz BVXCJQUCYOHHKQ-HOTGVXAUSA-N 2 2 374.485 0.913 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275571 216377498 /nfs/dbraw/zinc/37/74/98/216377498.db2.gz BVXCJQUCYOHHKQ-HOTGVXAUSA-N 2 2 374.485 0.913 20 0 FCADLP CCCN1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000190229601 209269910 /nfs/dbraw/zinc/26/99/10/209269910.db2.gz NICDLUCJIIMBHD-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@](=O)C1 ZINC000369361564 216389540 /nfs/dbraw/zinc/38/95/40/216389540.db2.gz GACRJXVRFRIHGH-LMKMVOKYSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@](=O)C1 ZINC000369361564 216389542 /nfs/dbraw/zinc/38/95/42/216389542.db2.gz GACRJXVRFRIHGH-LMKMVOKYSA-N 2 2 364.515 0.821 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC1(O)CCOCC1 ZINC000189748445 209259792 /nfs/dbraw/zinc/25/97/92/209259792.db2.gz BHYBVQRDCDFENI-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC1(O)CCOCC1 ZINC000189748445 209259795 /nfs/dbraw/zinc/25/97/95/209259795.db2.gz BHYBVQRDCDFENI-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188748948 209238449 /nfs/dbraw/zinc/23/84/49/209238449.db2.gz JWQPIZADFOBVEI-HUUCEWRRSA-N 2 2 360.506 0.686 20 0 FCADLP CN1CC[NH+](Cc2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)cc2)CC1 ZINC000188795906 209238606 /nfs/dbraw/zinc/23/86/06/209238606.db2.gz KKYOUHFIWPOFRE-UHFFFAOYSA-N 2 2 368.485 0.733 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000277118988 212330276 /nfs/dbraw/zinc/33/02/76/212330276.db2.gz WLVNTBAZLDSPOV-ZDUSSCGKSA-N 2 2 354.476 0.882 20 0 FCADLP C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000187262859 209208635 /nfs/dbraw/zinc/20/86/35/209208635.db2.gz POCQVWROXZYQRD-SFHVURJKSA-N 2 2 360.502 0.329 20 0 FCADLP C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000187262859 209208638 /nfs/dbraw/zinc/20/86/38/209208638.db2.gz POCQVWROXZYQRD-SFHVURJKSA-N 2 2 360.502 0.329 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000186985580 209203783 /nfs/dbraw/zinc/20/37/83/209203783.db2.gz GACVNJDSNCMNHQ-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000186985580 209203787 /nfs/dbraw/zinc/20/37/87/209203787.db2.gz GACVNJDSNCMNHQ-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000186985580 209203791 /nfs/dbraw/zinc/20/37/91/209203791.db2.gz GACVNJDSNCMNHQ-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000186985580 209203794 /nfs/dbraw/zinc/20/37/94/209203794.db2.gz GACVNJDSNCMNHQ-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP [NH3+][C@H]1CC[C@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000186909142 209202630 /nfs/dbraw/zinc/20/26/30/209202630.db2.gz KEHOKOBODKLAOM-BBWFWOEESA-N 2 2 371.485 0.706 20 0 FCADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]12 ZINC000186909174 209202541 /nfs/dbraw/zinc/20/25/41/209202541.db2.gz KEHOKOBODKLAOM-GVDBMIGSSA-N 2 2 371.485 0.706 20 0 FCADLP [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]12 ZINC000186909158 209202191 /nfs/dbraw/zinc/20/21/91/209202191.db2.gz KEHOKOBODKLAOM-ZACQAIPSSA-N 2 2 371.485 0.706 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000186867552 209198364 /nfs/dbraw/zinc/19/83/64/209198364.db2.gz OGMWKCDODXEOTF-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000186867552 209198367 /nfs/dbraw/zinc/19/83/67/209198367.db2.gz OGMWKCDODXEOTF-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3c[nH+]ccc3N)cc2)CC1 ZINC000275827233 212098683 /nfs/dbraw/zinc/09/86/83/212098683.db2.gz TULMKYAACSTDBH-UHFFFAOYSA-N 2 2 353.426 0.981 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818841 212096726 /nfs/dbraw/zinc/09/67/26/212096726.db2.gz VVEHAZUVNVREFB-YJBOKZPZSA-N 2 2 358.490 0.966 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818841 212096728 /nfs/dbraw/zinc/09/67/28/212096728.db2.gz VVEHAZUVNVREFB-YJBOKZPZSA-N 2 2 358.490 0.966 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000275693485 212074399 /nfs/dbraw/zinc/07/43/99/212074399.db2.gz WMIABJLBKBEVCW-UHFFFAOYSA-N 2 2 372.477 0.679 20 0 FCADLP Nc1cc[nH+]cc1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000275403878 212020812 /nfs/dbraw/zinc/02/08/12/212020812.db2.gz CAKIZVBPKCHQNU-UHFFFAOYSA-N 2 2 369.425 0.978 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414899487 245328121 /nfs/dbraw/zinc/32/81/21/245328121.db2.gz BYTHGUJFGVZOQG-ZDUSSCGKSA-N 2 2 362.430 0.180 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000414607520 245304288 /nfs/dbraw/zinc/30/42/88/245304288.db2.gz FSHZASWSNCAHEA-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000414607520 245304290 /nfs/dbraw/zinc/30/42/90/245304290.db2.gz FSHZASWSNCAHEA-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000414607520 245304298 /nfs/dbraw/zinc/30/42/98/245304298.db2.gz FSHZASWSNCAHEA-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000414607520 245304303 /nfs/dbraw/zinc/30/43/03/245304303.db2.gz FSHZASWSNCAHEA-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)[C@@H](C)C1 ZINC000415172023 245352499 /nfs/dbraw/zinc/35/24/99/245352499.db2.gz YUQGHJKDRYBZDA-ZDUSSCGKSA-N 2 2 362.430 0.180 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)[C@@H](C)C1 ZINC000415172023 245352505 /nfs/dbraw/zinc/35/25/05/245352505.db2.gz YUQGHJKDRYBZDA-ZDUSSCGKSA-N 2 2 362.430 0.180 20 0 FCADLP C[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H]1C[NH3+] ZINC000415241256 245368176 /nfs/dbraw/zinc/36/81/76/245368176.db2.gz RUAMRQHVXUXVBS-GOEBONIOSA-N 2 2 350.467 0.806 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000373394458 217014500 /nfs/dbraw/zinc/01/45/00/217014500.db2.gz NYSOADWVRIZKHK-MAUKXSAKSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000415299901 245382179 /nfs/dbraw/zinc/38/21/79/245382179.db2.gz ITIZYIKCRNKVTQ-PBHICJAKSA-N 2 2 360.458 0.887 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415331839 245389297 /nfs/dbraw/zinc/38/92/97/245389297.db2.gz PNLZLWUXFHCEGK-UHFFFAOYSA-N 2 2 369.425 0.834 20 0 FCADLP Cn1cc(N2CC[NH+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000184977230 209170435 /nfs/dbraw/zinc/17/04/35/209170435.db2.gz FZJZTIWQEDUNSI-LJQANCHMSA-N 2 2 370.501 0.961 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CN1CC[NH+]1CCOCC1 ZINC000373463559 217021568 /nfs/dbraw/zinc/02/15/68/217021568.db2.gz ZAMVKIMNRIFABE-MRXNPFEDSA-N 2 2 353.463 0.195 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509326 217026250 /nfs/dbraw/zinc/02/62/50/217026250.db2.gz OHGYVTPHVKDVFD-LPHOPBHVSA-N 2 2 364.534 0.915 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509326 217026251 /nfs/dbraw/zinc/02/62/51/217026251.db2.gz OHGYVTPHVKDVFD-LPHOPBHVSA-N 2 2 364.534 0.915 20 0 FCADLP COC(=O)CCNC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373532550 217029905 /nfs/dbraw/zinc/02/99/05/217029905.db2.gz IQYSPJBCWVRKHM-IBGZPJMESA-N 2 2 363.458 0.235 20 0 FCADLP COC(=O)CCNC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373532550 217029906 /nfs/dbraw/zinc/02/99/06/217029906.db2.gz IQYSPJBCWVRKHM-IBGZPJMESA-N 2 2 363.458 0.235 20 0 FCADLP COC(=O)CCNC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373532550 217029910 /nfs/dbraw/zinc/02/99/10/217029910.db2.gz IQYSPJBCWVRKHM-IBGZPJMESA-N 2 2 363.458 0.235 20 0 FCADLP COC(=O)CCNC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373532550 217029911 /nfs/dbraw/zinc/02/99/11/217029911.db2.gz IQYSPJBCWVRKHM-IBGZPJMESA-N 2 2 363.458 0.235 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000374198092 217107767 /nfs/dbraw/zinc/10/77/67/217107767.db2.gz GZRGGKPTWQPAGC-LJQANCHMSA-N 3 2 366.550 0.972 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000374198092 217107771 /nfs/dbraw/zinc/10/77/71/217107771.db2.gz GZRGGKPTWQPAGC-LJQANCHMSA-N 3 2 366.550 0.972 20 0 FCADLP COCCO[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617583 217149025 /nfs/dbraw/zinc/14/90/25/217149025.db2.gz HVFWNLSUQYIGGE-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP COCCO[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617583 217149028 /nfs/dbraw/zinc/14/90/28/217149028.db2.gz HVFWNLSUQYIGGE-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C2)CC1 ZINC000374780294 217172306 /nfs/dbraw/zinc/17/23/06/217172306.db2.gz MCEBBFAKWXGNBQ-NSHDSACASA-N 2 2 350.385 0.340 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C2)CC1 ZINC000374780294 217172310 /nfs/dbraw/zinc/17/23/10/217172310.db2.gz MCEBBFAKWXGNBQ-NSHDSACASA-N 2 2 350.385 0.340 20 0 FCADLP COc1cccc(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000375000575 217202725 /nfs/dbraw/zinc/20/27/25/217202725.db2.gz XGWLFPFXOAXYNG-UHFFFAOYSA-N 2 2 363.458 0.793 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000375020103 217206259 /nfs/dbraw/zinc/20/62/59/217206259.db2.gz WTGKZBWIOKIVHC-DLBZAZTESA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000375020103 217206263 /nfs/dbraw/zinc/20/62/63/217206263.db2.gz WTGKZBWIOKIVHC-DLBZAZTESA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415828472 245496603 /nfs/dbraw/zinc/49/66/03/245496603.db2.gz HYTKKXWSPFJKFS-JKIFEVAISA-N 2 2 360.458 0.824 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416015884 245531626 /nfs/dbraw/zinc/53/16/26/245531626.db2.gz WJWYMJHJZYTOJK-LBPRGKRZSA-N 2 2 367.416 0.462 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000181858504 209124406 /nfs/dbraw/zinc/12/44/06/209124406.db2.gz AVCBEJGKZREQCY-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000181858504 209124410 /nfs/dbraw/zinc/12/44/10/209124410.db2.gz AVCBEJGKZREQCY-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376387 217256627 /nfs/dbraw/zinc/25/66/27/217256627.db2.gz BPYJUISSJOCPKU-ROUUACIJSA-N 2 2 373.501 0.895 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376387 217256631 /nfs/dbraw/zinc/25/66/31/217256631.db2.gz BPYJUISSJOCPKU-ROUUACIJSA-N 2 2 373.501 0.895 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H](C)CC[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000375519078 217279206 /nfs/dbraw/zinc/27/92/06/217279206.db2.gz ICLLUOOFDAXSTL-HJOIGYKYSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1OCC[C@@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CCO2 ZINC000375675822 217297360 /nfs/dbraw/zinc/29/73/60/217297360.db2.gz UXYJKSWEEJWIPF-MAUKXSAKSA-N 2 2 354.495 0.602 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H](O)CN3CCOCC3)CCC[NH+]2C)cn1 ZINC000375781020 217313381 /nfs/dbraw/zinc/31/33/81/217313381.db2.gz SQGZOPHDTKLMQN-YTQUADARSA-N 2 2 365.522 0.428 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H](O)CN3CCOCC3)CCC[NH+]2C)cn1 ZINC000375781020 217313383 /nfs/dbraw/zinc/31/33/83/217313383.db2.gz SQGZOPHDTKLMQN-YTQUADARSA-N 2 2 365.522 0.428 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)CN3CCOCC3)CCC[N@@H+]2C)cn1 ZINC000375781020 217313386 /nfs/dbraw/zinc/31/33/86/217313386.db2.gz SQGZOPHDTKLMQN-YTQUADARSA-N 2 2 365.522 0.428 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)CN3CCOCC3)CCC[N@H+]2C)cn1 ZINC000375781020 217313388 /nfs/dbraw/zinc/31/33/88/217313388.db2.gz SQGZOPHDTKLMQN-YTQUADARSA-N 2 2 365.522 0.428 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889331 217329667 /nfs/dbraw/zinc/32/96/67/217329667.db2.gz JOQYAXVRNKVSCG-OALUTQOASA-N 3 2 365.566 0.639 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889331 217329673 /nfs/dbraw/zinc/32/96/73/217329673.db2.gz JOQYAXVRNKVSCG-OALUTQOASA-N 3 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889331 217329677 /nfs/dbraw/zinc/32/96/77/217329677.db2.gz JOQYAXVRNKVSCG-OALUTQOASA-N 2 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889331 217329680 /nfs/dbraw/zinc/32/96/80/217329680.db2.gz JOQYAXVRNKVSCG-OALUTQOASA-N 2 2 365.566 0.639 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000376135310 217360279 /nfs/dbraw/zinc/36/02/79/217360279.db2.gz SGIUCSXAYOHXED-RBUKOAKNSA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000376135310 217360281 /nfs/dbraw/zinc/36/02/81/217360281.db2.gz SGIUCSXAYOHXED-RBUKOAKNSA-N 2 2 364.534 0.868 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000376412784 217395695 /nfs/dbraw/zinc/39/56/95/217395695.db2.gz STBILZWKUABRLZ-IXDOHACOSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000376412784 217395698 /nfs/dbraw/zinc/39/56/98/217395698.db2.gz STBILZWKUABRLZ-IXDOHACOSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000376412784 217395700 /nfs/dbraw/zinc/39/57/00/217395700.db2.gz STBILZWKUABRLZ-IXDOHACOSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000376412784 217395703 /nfs/dbraw/zinc/39/57/03/217395703.db2.gz STBILZWKUABRLZ-IXDOHACOSA-N 2 2 369.506 0.590 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419128167 246003595 /nfs/dbraw/zinc/00/35/95/246003595.db2.gz VKBQHBCAZRZZJC-HOTGVXAUSA-N 2 2 369.469 0.799 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000419133798 246008571 /nfs/dbraw/zinc/00/85/71/246008571.db2.gz GPGUHLLCRJGNKX-MRXNPFEDSA-N 2 2 355.442 0.596 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000419133797 246009553 /nfs/dbraw/zinc/00/95/53/246009553.db2.gz GPGUHLLCRJGNKX-INIZCTEOSA-N 2 2 355.442 0.596 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c[nH+]2)CC1 ZINC000419200476 246048111 /nfs/dbraw/zinc/04/81/11/246048111.db2.gz DTODYIKNDWXYPG-INIZCTEOSA-N 2 2 359.474 0.788 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419232059 246072402 /nfs/dbraw/zinc/07/24/02/246072402.db2.gz KENPBTIKYBBCDH-CYBMUJFWSA-N 2 2 350.488 0.433 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419232059 246072407 /nfs/dbraw/zinc/07/24/07/246072407.db2.gz KENPBTIKYBBCDH-CYBMUJFWSA-N 2 2 350.488 0.433 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419264264 246080258 /nfs/dbraw/zinc/08/02/58/246080258.db2.gz AYESNTPDCXKLIJ-JKSUJKDBSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419303408 246091507 /nfs/dbraw/zinc/09/15/07/246091507.db2.gz HYKJRLAKFIJFJL-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419395519 246131672 /nfs/dbraw/zinc/13/16/72/246131672.db2.gz USAQPFCVBBYFSS-CQDKDKBSSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419395519 246131676 /nfs/dbraw/zinc/13/16/76/246131676.db2.gz USAQPFCVBBYFSS-CQDKDKBSSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000419681616 246246343 /nfs/dbraw/zinc/24/63/43/246246343.db2.gz IPGDQHCGMNXAQU-ZOBUZTSGSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000419691988 246251111 /nfs/dbraw/zinc/25/11/11/246251111.db2.gz XOCFYXGIVCPGTH-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000419738825 246278728 /nfs/dbraw/zinc/27/87/28/246278728.db2.gz YUTWSACYBWSWCK-GJZGRUSLSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419824833 246307114 /nfs/dbraw/zinc/30/71/14/246307114.db2.gz UOLFUBMQJPLOTI-GASCZTMLSA-N 2 2 354.495 0.332 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419824833 246307119 /nfs/dbraw/zinc/30/71/19/246307119.db2.gz UOLFUBMQJPLOTI-GASCZTMLSA-N 2 2 354.495 0.332 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419848773 246319574 /nfs/dbraw/zinc/31/95/74/246319574.db2.gz XABRIPPFUGPIMD-OAHLLOKOSA-N 2 2 374.489 0.425 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419873915 246341528 /nfs/dbraw/zinc/34/15/28/246341528.db2.gz VKCDHENYQYSOIF-QGZVFWFLSA-N 2 2 362.449 0.714 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419873915 246341535 /nfs/dbraw/zinc/34/15/35/246341535.db2.gz VKCDHENYQYSOIF-QGZVFWFLSA-N 2 2 362.449 0.714 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419859704 246327626 /nfs/dbraw/zinc/32/76/26/246327626.db2.gz JZCIJEUGMYFOOS-CQSZACIVSA-N 2 2 360.462 0.035 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419859700 246327984 /nfs/dbraw/zinc/32/79/84/246327984.db2.gz JZCIJEUGMYFOOS-AWEZNQCLSA-N 2 2 360.462 0.035 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419863803 246332773 /nfs/dbraw/zinc/33/27/73/246332773.db2.gz AHFBDYMTMBETGD-DJIMGWMZSA-N 2 2 359.474 0.673 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419911990 246366340 /nfs/dbraw/zinc/36/63/40/246366340.db2.gz VGPUEUGLOVVSKP-UHFFFAOYSA-N 2 2 362.474 0.325 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419879201 246345119 /nfs/dbraw/zinc/34/51/19/246345119.db2.gz RFCOLOASIDHTRH-IAGOWNOFSA-N 2 2 374.485 0.726 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419963326 246390542 /nfs/dbraw/zinc/39/05/42/246390542.db2.gz HVZNIIRACDGUJK-UXLLHSPISA-N 2 2 368.522 0.578 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000419963326 246390548 /nfs/dbraw/zinc/39/05/48/246390548.db2.gz HVZNIIRACDGUJK-UXLLHSPISA-N 2 2 368.522 0.578 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419972268 246395727 /nfs/dbraw/zinc/39/57/27/246395727.db2.gz HKQNIXLDVDRWEU-KKMIYCERSA-N 2 2 358.486 0.944 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419972270 246396403 /nfs/dbraw/zinc/39/64/03/246396403.db2.gz HKQNIXLDVDRWEU-YOCVDRLZSA-N 2 2 358.486 0.944 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420043024 246429917 /nfs/dbraw/zinc/42/99/17/246429917.db2.gz OLLHUPGNDJASQW-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000420055234 246439738 /nfs/dbraw/zinc/43/97/38/246439738.db2.gz LFAIMLKXGCZCFA-UHFFFAOYSA-N 2 2 362.474 0.583 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420180633 246515534 /nfs/dbraw/zinc/51/55/34/246515534.db2.gz XDOPZHIUIZTUHS-ZDUSSCGKSA-N 2 2 354.401 0.430 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420180633 246515537 /nfs/dbraw/zinc/51/55/37/246515537.db2.gz XDOPZHIUIZTUHS-ZDUSSCGKSA-N 2 2 354.401 0.430 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH2+]C)C3)CC2)cc1 ZINC000423042230 246953945 /nfs/dbraw/zinc/95/39/45/246953945.db2.gz YTAHYWLWFBBKKW-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423306956 247001361 /nfs/dbraw/zinc/00/13/61/247001361.db2.gz FVVHAPQOFSMVEM-UTKZUKDTSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423306956 247001366 /nfs/dbraw/zinc/00/13/66/247001366.db2.gz FVVHAPQOFSMVEM-UTKZUKDTSA-N 2 2 370.497 0.931 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000423314151 247002504 /nfs/dbraw/zinc/00/25/04/247002504.db2.gz GRTKWHWEJHSGIL-IAGOWNOFSA-N 2 2 373.501 0.745 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000423341877 247007110 /nfs/dbraw/zinc/00/71/10/247007110.db2.gz WZEHJKSBNHKUHE-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000423428546 247024619 /nfs/dbraw/zinc/02/46/19/247024619.db2.gz JJOIWRKJOSPHHO-MSOLQXFVSA-N 2 2 373.501 0.970 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000423497390 247037959 /nfs/dbraw/zinc/03/79/59/247037959.db2.gz YTAALJZLUYAMMI-UHFFFAOYSA-N 2 2 363.849 0.982 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423684865 247109532 /nfs/dbraw/zinc/10/95/32/247109532.db2.gz XSYYWTUYDVNDOI-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000423618826 247078642 /nfs/dbraw/zinc/07/86/42/247078642.db2.gz UUGVMMPWPSJMFE-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000423621973 247079651 /nfs/dbraw/zinc/07/96/51/247079651.db2.gz YQSRWAHTORTCJK-INIZCTEOSA-N 2 2 362.474 0.625 20 0 FCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000423621973 247079656 /nfs/dbraw/zinc/07/96/56/247079656.db2.gz YQSRWAHTORTCJK-INIZCTEOSA-N 2 2 362.474 0.625 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423657719 247097375 /nfs/dbraw/zinc/09/73/75/247097375.db2.gz ZOYCJSQQWGFWPN-DZGCQCFKSA-N 2 2 350.488 0.903 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[C@H]1C[NH3+] ZINC000423746153 247137969 /nfs/dbraw/zinc/13/79/69/247137969.db2.gz XRSGROUWRFXLHD-OAGGEKHMSA-N 2 2 361.490 0.787 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423763046 247139635 /nfs/dbraw/zinc/13/96/35/247139635.db2.gz TXCJJQOXZYXDFB-YJBOKZPZSA-N 2 2 363.458 0.656 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423782108 247141344 /nfs/dbraw/zinc/14/13/44/247141344.db2.gz YYMBPQWVKABDDV-SFHVURJKSA-N 2 2 357.458 0.880 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)C1(C)C ZINC000423794049 247141495 /nfs/dbraw/zinc/14/14/95/247141495.db2.gz XKRFINQXIHJFNQ-LBTNJELSSA-N 2 2 355.479 0.615 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423782107 247142208 /nfs/dbraw/zinc/14/22/08/247142208.db2.gz YYMBPQWVKABDDV-GOSISDBHSA-N 2 2 357.458 0.880 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)c1 ZINC000423816360 247143558 /nfs/dbraw/zinc/14/35/58/247143558.db2.gz XPQMLAAIRFYFNX-QGZVFWFLSA-N 2 2 351.447 0.582 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827733 247144817 /nfs/dbraw/zinc/14/48/17/247144817.db2.gz NSNZXNBRZODYAO-CZUORRHYSA-N 2 2 356.829 0.806 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827733 247144820 /nfs/dbraw/zinc/14/48/20/247144820.db2.gz NSNZXNBRZODYAO-CZUORRHYSA-N 2 2 356.829 0.806 20 0 FCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000423902061 247148202 /nfs/dbraw/zinc/14/82/02/247148202.db2.gz OQRUBNMDJDIOMS-QGZVFWFLSA-N 2 2 356.470 0.813 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000423931321 247152352 /nfs/dbraw/zinc/15/23/52/247152352.db2.gz YEELHZBSBUSYDD-MELADBBJSA-N 2 2 356.467 0.811 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000423931321 247152356 /nfs/dbraw/zinc/15/23/56/247152356.db2.gz YEELHZBSBUSYDD-MELADBBJSA-N 2 2 356.467 0.811 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424019476 247159965 /nfs/dbraw/zinc/15/99/65/247159965.db2.gz LWLZOBDMFBASLM-GOSISDBHSA-N 3 2 360.502 0.817 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424019476 247159968 /nfs/dbraw/zinc/15/99/68/247159968.db2.gz LWLZOBDMFBASLM-GOSISDBHSA-N 3 2 360.502 0.817 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000423732185 247129651 /nfs/dbraw/zinc/12/96/51/247129651.db2.gz ZWICZADANIHBAN-GJZGRUSLSA-N 2 2 362.478 0.215 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424026731 247162711 /nfs/dbraw/zinc/16/27/11/247162711.db2.gz LGFBZYJDTOPREN-GOEBONIOSA-N 2 2 350.438 0.535 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424026731 247162715 /nfs/dbraw/zinc/16/27/15/247162715.db2.gz LGFBZYJDTOPREN-GOEBONIOSA-N 2 2 350.438 0.535 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424518697 247247955 /nfs/dbraw/zinc/24/79/55/247247955.db2.gz IIVAAURWDLTQOE-UONOGXRCSA-N 2 2 360.449 0.584 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424518697 247247958 /nfs/dbraw/zinc/24/79/58/247247958.db2.gz IIVAAURWDLTQOE-UONOGXRCSA-N 2 2 360.449 0.584 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000424465028 247227293 /nfs/dbraw/zinc/22/72/93/247227293.db2.gz JFFVGESAKULCRV-RHSMWYFYSA-N 2 2 360.458 0.714 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425378296 247327706 /nfs/dbraw/zinc/32/77/06/247327706.db2.gz BXFVUGMLHGUWLZ-YESZJQIVSA-N 2 2 373.501 0.754 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425378296 247327710 /nfs/dbraw/zinc/32/77/10/247327710.db2.gz BXFVUGMLHGUWLZ-YESZJQIVSA-N 2 2 373.501 0.754 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000425394106 247332969 /nfs/dbraw/zinc/33/29/69/247332969.db2.gz FGYRBJWHGMYEOT-UHFFFAOYSA-N 2 2 365.478 0.301 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000425726019 247369548 /nfs/dbraw/zinc/36/95/48/247369548.db2.gz OARWLAYMVSDZEK-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567074 248000378 /nfs/dbraw/zinc/00/03/78/248000378.db2.gz PHCXTZOOTGVVLY-GJZGRUSLSA-N 2 2 359.474 0.900 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)Cn1ccccc1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435560808 248000897 /nfs/dbraw/zinc/00/08/97/248000897.db2.gz OXDSMYKPUOPFBE-OAHLLOKOSA-N 2 2 355.442 0.753 20 0 FCADLP CCn1ccnc1C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435693266 248010159 /nfs/dbraw/zinc/01/01/59/248010159.db2.gz IKNKEJIDAGXYIT-AWEZNQCLSA-N 2 2 360.462 0.399 20 0 FCADLP CCn1ccnc1C[N@@H+](CCN1C(=O)CNC1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435693266 248010166 /nfs/dbraw/zinc/01/01/66/248010166.db2.gz IKNKEJIDAGXYIT-AWEZNQCLSA-N 2 2 360.462 0.399 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)([NH+]2CCOCC2)C1 ZINC000435693009 248010726 /nfs/dbraw/zinc/01/07/26/248010726.db2.gz HZXZGFVHGVFJFC-KLHKWILBSA-N 2 2 365.478 0.841 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436055293 248031239 /nfs/dbraw/zinc/03/12/39/248031239.db2.gz JCSZSNSGHHGCAY-CQSZACIVSA-N 2 2 352.504 0.992 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436055293 248031242 /nfs/dbraw/zinc/03/12/42/248031242.db2.gz JCSZSNSGHHGCAY-CQSZACIVSA-N 2 2 352.504 0.992 20 0 FCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000441345769 248250012 /nfs/dbraw/zinc/25/00/12/248250012.db2.gz HPQXCBPESCRHOV-BEFAXECRSA-N 2 2 374.485 0.249 20 0 FCADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H](C)CO ZINC000443324711 248321258 /nfs/dbraw/zinc/32/12/58/248321258.db2.gz YNVDQCCHLBPYJZ-GJZGRUSLSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H](C)CO ZINC000443324711 248321259 /nfs/dbraw/zinc/32/12/59/248321259.db2.gz YNVDQCCHLBPYJZ-GJZGRUSLSA-N 2 2 355.504 0.456 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC2)cn1 ZINC000446367030 248387933 /nfs/dbraw/zinc/38/79/33/248387933.db2.gz QDHDILUROZMQRQ-GPMSIDNRSA-N 2 2 361.490 0.597 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000469983480 250016991 /nfs/dbraw/zinc/01/69/91/250016991.db2.gz PTKHNJLTOLEISZ-NVXWUHKLSA-N 2 2 368.522 0.308 20 0 FCADLP CCO[C@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCOCC2 ZINC000469783019 250003902 /nfs/dbraw/zinc/00/39/02/250003902.db2.gz IQTXKOWGRWPVLY-MOPGFXCFSA-N 2 2 369.550 0.940 20 0 FCADLP CCO[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCOCC2 ZINC000469783020 250004108 /nfs/dbraw/zinc/00/41/08/250004108.db2.gz IQTXKOWGRWPVLY-OALUTQOASA-N 2 2 369.550 0.940 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275863 250143377 /nfs/dbraw/zinc/14/33/77/250143377.db2.gz KDAPLHUOLAJDAJ-ROUUACIJSA-N 3 2 354.539 0.972 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275863 250143379 /nfs/dbraw/zinc/14/33/79/250143379.db2.gz KDAPLHUOLAJDAJ-ROUUACIJSA-N 3 2 354.539 0.972 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000269894707 211111359 /nfs/dbraw/zinc/11/13/59/211111359.db2.gz DWVLAEDIYLXZKG-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000269894707 211111362 /nfs/dbraw/zinc/11/13/62/211111362.db2.gz DWVLAEDIYLXZKG-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000269894707 211111374 /nfs/dbraw/zinc/11/13/74/211111374.db2.gz DWVLAEDIYLXZKG-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000269894707 211111379 /nfs/dbraw/zinc/11/13/79/211111379.db2.gz DWVLAEDIYLXZKG-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c[nH+]2)CCO1 ZINC000269837352 211093702 /nfs/dbraw/zinc/09/37/02/211093702.db2.gz BBCZCWOVTRFYHB-KDOFPFPSSA-N 2 2 365.478 0.419 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000472985241 250191386 /nfs/dbraw/zinc/19/13/86/250191386.db2.gz FFZLCXNSYCJECU-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000472985241 250191390 /nfs/dbraw/zinc/19/13/90/250191390.db2.gz FFZLCXNSYCJECU-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000473690263 250245140 /nfs/dbraw/zinc/24/51/40/250245140.db2.gz CWDSFIMQJFEUGE-CQSZACIVSA-N 2 2 364.446 0.988 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000480913988 250296763 /nfs/dbraw/zinc/29/67/63/250296763.db2.gz UBUCCRKQRMSYIW-UHFFFAOYSA-N 2 2 357.524 0.776 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000480913988 250296764 /nfs/dbraw/zinc/29/67/64/250296764.db2.gz UBUCCRKQRMSYIW-UHFFFAOYSA-N 2 2 357.524 0.776 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020697 250308968 /nfs/dbraw/zinc/30/89/68/250308968.db2.gz WHVNCOXSWROGGW-GJZGRUSLSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020697 250308971 /nfs/dbraw/zinc/30/89/71/250308971.db2.gz WHVNCOXSWROGGW-GJZGRUSLSA-N 2 2 361.490 0.941 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000481831021 250365477 /nfs/dbraw/zinc/36/54/77/250365477.db2.gz QYOGRNKFGFSHOB-UXHICEINSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000481831021 250365482 /nfs/dbraw/zinc/36/54/82/250365482.db2.gz QYOGRNKFGFSHOB-UXHICEINSA-N 2 2 372.513 0.874 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783772 250358686 /nfs/dbraw/zinc/35/86/86/250358686.db2.gz RWICOSOBYAVOGY-FUHWJXTLSA-N 2 2 369.579 0.845 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000481320200 250332128 /nfs/dbraw/zinc/33/21/28/250332128.db2.gz GUMGALGVWNYKMP-UHFFFAOYSA-N 2 2 370.388 0.949 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000164518274 532974252 /nfs/dbraw/zinc/97/42/52/532974252.db2.gz CCWZKMFJWWXHFO-LJQANCHMSA-N 2 2 374.485 0.852 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000164518274 532974259 /nfs/dbraw/zinc/97/42/59/532974259.db2.gz CCWZKMFJWWXHFO-LJQANCHMSA-N 2 2 374.485 0.852 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000377763070 532978972 /nfs/dbraw/zinc/97/89/72/532978972.db2.gz RIRMYZAPERKAOI-QGZVFWFLSA-N 3 2 367.538 0.565 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000377763070 532978977 /nfs/dbraw/zinc/97/89/77/532978977.db2.gz RIRMYZAPERKAOI-QGZVFWFLSA-N 3 2 367.538 0.565 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+](C)C1 ZINC000411758412 532984429 /nfs/dbraw/zinc/98/44/29/532984429.db2.gz NSGOIHQAKGTAKA-CQSZACIVSA-N 2 2 362.430 0.509 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+](C)C1 ZINC000411758412 532984434 /nfs/dbraw/zinc/98/44/34/532984434.db2.gz NSGOIHQAKGTAKA-CQSZACIVSA-N 2 2 362.430 0.509 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000064033682 208013608 /nfs/dbraw/zinc/01/36/08/208013608.db2.gz APIKSEFSDUNKSR-KRWDZBQOSA-N 2 2 374.485 0.867 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000081282380 208098864 /nfs/dbraw/zinc/09/88/64/208098864.db2.gz UFRYTUPTUXVRDO-SFHVURJKSA-N 2 2 374.485 0.662 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000081282380 208098870 /nfs/dbraw/zinc/09/88/70/208098870.db2.gz UFRYTUPTUXVRDO-SFHVURJKSA-N 2 2 374.485 0.662 20 0 FCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000075836253 208063092 /nfs/dbraw/zinc/06/30/92/208063092.db2.gz XXFDGHXFXQCXNA-MRXNPFEDSA-N 2 2 374.551 0.192 20 0 FCADLP CN(CCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)S(C)(=O)=O ZINC000075836253 208063095 /nfs/dbraw/zinc/06/30/95/208063095.db2.gz XXFDGHXFXQCXNA-MRXNPFEDSA-N 2 2 374.551 0.192 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000078682689 208085894 /nfs/dbraw/zinc/08/58/94/208085894.db2.gz WBTDWUOTYHGOSS-GOSISDBHSA-N 2 2 357.458 0.992 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000078682689 208085903 /nfs/dbraw/zinc/08/59/03/208085903.db2.gz WBTDWUOTYHGOSS-GOSISDBHSA-N 2 2 357.458 0.992 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000083702324 208107223 /nfs/dbraw/zinc/10/72/23/208107223.db2.gz NATWDIOTQBIVBU-GOSISDBHSA-N 2 2 364.490 0.583 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000103448894 208177307 /nfs/dbraw/zinc/17/73/07/208177307.db2.gz RZCBHHSTWVKEHI-UHFFFAOYSA-N 2 2 370.457 0.894 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000105177917 208195090 /nfs/dbraw/zinc/19/50/90/208195090.db2.gz COWLNEVMFXWCMA-KRWDZBQOSA-N 2 2 356.536 0.835 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@H](C)[NH+]1CCOCC1 ZINC000105739474 208202730 /nfs/dbraw/zinc/20/27/30/208202730.db2.gz SYMTXQWZJBBAKH-KBPBESRZSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@H](C)[NH+]1CCOCC1 ZINC000105739474 208202736 /nfs/dbraw/zinc/20/27/36/208202736.db2.gz SYMTXQWZJBBAKH-KBPBESRZSA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370470 208242439 /nfs/dbraw/zinc/24/24/39/208242439.db2.gz ZSVXKOVBXQVFJZ-ZWKOTPCHSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370470 208242446 /nfs/dbraw/zinc/24/24/46/208242446.db2.gz ZSVXKOVBXQVFJZ-ZWKOTPCHSA-N 3 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370470 208242452 /nfs/dbraw/zinc/24/24/52/208242452.db2.gz ZSVXKOVBXQVFJZ-ZWKOTPCHSA-N 2 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107370470 208242458 /nfs/dbraw/zinc/24/24/58/208242458.db2.gz ZSVXKOVBXQVFJZ-ZWKOTPCHSA-N 2 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000107372099 208243271 /nfs/dbraw/zinc/24/32/71/208243271.db2.gz VKOXMBJOCMGMLF-KRWDZBQOSA-N 2 2 366.531 0.677 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000107372099 208243276 /nfs/dbraw/zinc/24/32/76/208243276.db2.gz VKOXMBJOCMGMLF-KRWDZBQOSA-N 2 2 366.531 0.677 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000111265087 208279044 /nfs/dbraw/zinc/27/90/44/208279044.db2.gz TXKSKMKNKWSYOO-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000111265087 208279050 /nfs/dbraw/zinc/27/90/50/208279050.db2.gz TXKSKMKNKWSYOO-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1 ZINC000267231318 210501937 /nfs/dbraw/zinc/50/19/37/210501937.db2.gz JEBJUGUHZQXPTQ-VMPITWQZSA-N 2 2 374.485 0.706 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)Nc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC000114343631 208308725 /nfs/dbraw/zinc/30/87/25/208308725.db2.gz YEYPEFVYOPOOLK-STQMWFEESA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)Nc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC000114343631 208308732 /nfs/dbraw/zinc/30/87/32/208308732.db2.gz YEYPEFVYOPOOLK-STQMWFEESA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NCc1csc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000114343631 208308736 /nfs/dbraw/zinc/30/87/36/208308736.db2.gz YEYPEFVYOPOOLK-STQMWFEESA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NCc1csc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000114343631 208308741 /nfs/dbraw/zinc/30/87/41/208308741.db2.gz YEYPEFVYOPOOLK-STQMWFEESA-N 2 2 351.476 0.886 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(-n2cncn2)c1 ZINC000112921379 208304070 /nfs/dbraw/zinc/30/40/70/208304070.db2.gz MTAIGSKBAPXDLI-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(-n2cncn2)c1 ZINC000112921379 208304074 /nfs/dbraw/zinc/30/40/74/208304074.db2.gz MTAIGSKBAPXDLI-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119482315 208362147 /nfs/dbraw/zinc/36/21/47/208362147.db2.gz ZYJSLNIIZDUXBO-KTFSGNIMSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119482315 208362153 /nfs/dbraw/zinc/36/21/53/208362153.db2.gz ZYJSLNIIZDUXBO-KTFSGNIMSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119482315 208362155 /nfs/dbraw/zinc/36/21/55/208362155.db2.gz ZYJSLNIIZDUXBO-KTFSGNIMSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119482315 208362161 /nfs/dbraw/zinc/36/21/61/208362161.db2.gz ZYJSLNIIZDUXBO-KTFSGNIMSA-N 2 2 363.506 0.606 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000266536702 210352379 /nfs/dbraw/zinc/35/23/79/210352379.db2.gz DAXCHTXYJISKIX-OAHLLOKOSA-N 2 2 357.414 0.648 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000266536702 210352382 /nfs/dbraw/zinc/35/23/82/210352382.db2.gz DAXCHTXYJISKIX-OAHLLOKOSA-N 2 2 357.414 0.648 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000266147954 210291942 /nfs/dbraw/zinc/29/19/42/210291942.db2.gz NFZWIODPXVERBW-QGZVFWFLSA-N 2 2 360.458 0.021 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000266147954 210291946 /nfs/dbraw/zinc/29/19/46/210291946.db2.gz NFZWIODPXVERBW-QGZVFWFLSA-N 2 2 360.458 0.021 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000177121182 209016453 /nfs/dbraw/zinc/01/64/53/209016453.db2.gz KJGCJEKIWPFXBX-CHWSQXEVSA-N 2 2 364.412 0.586 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000177204008 209017501 /nfs/dbraw/zinc/01/75/01/209017501.db2.gz DCGFTSSUMLAKCH-UHFFFAOYSA-N 2 2 362.474 0.867 20 0 FCADLP Cc1cccn2c(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000177353576 209021779 /nfs/dbraw/zinc/02/17/79/209021779.db2.gz FJIZBAYCSNVLOK-MRXNPFEDSA-N 2 2 357.458 0.665 20 0 FCADLP CN(CC[N@H+](C)CC(=O)NC(=O)NCc1ccco1)C1CC[NH+](C)CC1 ZINC000177374740 209023372 /nfs/dbraw/zinc/02/33/72/209023372.db2.gz MIMVDPPCVFGXGV-UHFFFAOYSA-N 2 2 365.478 0.563 20 0 FCADLP CN(CC[N@@H+](C)CC(=O)NC(=O)NCc1ccco1)C1CC[NH+](C)CC1 ZINC000177374740 209023375 /nfs/dbraw/zinc/02/33/75/209023375.db2.gz MIMVDPPCVFGXGV-UHFFFAOYSA-N 2 2 365.478 0.563 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1ccco1 ZINC000177374740 209023381 /nfs/dbraw/zinc/02/33/81/209023381.db2.gz MIMVDPPCVFGXGV-UHFFFAOYSA-N 2 2 365.478 0.563 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(=O)NCc1ccco1 ZINC000177374740 209023384 /nfs/dbraw/zinc/02/33/84/209023384.db2.gz MIMVDPPCVFGXGV-UHFFFAOYSA-N 2 2 365.478 0.563 20 0 FCADLP C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000177757198 209033686 /nfs/dbraw/zinc/03/36/86/209033686.db2.gz XQHGUKLSHJGQGS-HOTGVXAUSA-N 2 2 362.478 0.640 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000095376788 209039131 /nfs/dbraw/zinc/03/91/31/209039131.db2.gz RBGZWWZKHIOGNX-QGZVFWFLSA-N 2 2 359.474 0.136 20 0 FCADLP C[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000178803801 209061276 /nfs/dbraw/zinc/06/12/76/209061276.db2.gz CZKQLMSLEDOSCA-ZACQAIPSSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178248032 209046788 /nfs/dbraw/zinc/04/67/88/209046788.db2.gz RPYNDAAKINZWHT-ZBFHGGJFSA-N 2 2 360.458 0.826 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+](C)C1 ZINC000411758407 533474871 /nfs/dbraw/zinc/47/48/71/533474871.db2.gz NSGOIHQAKGTAKA-AWEZNQCLSA-N 2 2 362.430 0.509 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+](C)C1 ZINC000411758407 533474872 /nfs/dbraw/zinc/47/48/72/533474872.db2.gz NSGOIHQAKGTAKA-AWEZNQCLSA-N 2 2 362.430 0.509 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC[N@H+](C)C1 ZINC000413157112 533482100 /nfs/dbraw/zinc/48/21/00/533482100.db2.gz SWUCRXJERHXJFX-AWEZNQCLSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC[N@@H+](C)C1 ZINC000413157112 533482106 /nfs/dbraw/zinc/48/21/06/533482106.db2.gz SWUCRXJERHXJFX-AWEZNQCLSA-N 2 2 359.430 0.889 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H](C)CO ZINC000190810322 533649763 /nfs/dbraw/zinc/64/97/63/533649763.db2.gz ZQWZZKXMYQHGRC-LSDHHAIUSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H](C)CO ZINC000190810322 533649770 /nfs/dbraw/zinc/64/97/70/533649770.db2.gz ZQWZZKXMYQHGRC-LSDHHAIUSA-N 2 2 355.504 0.456 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000179281162 209076157 /nfs/dbraw/zinc/07/61/57/209076157.db2.gz RCGMOUAHTDVIGE-INIZCTEOSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000410631970 230161879 /nfs/dbraw/zinc/16/18/79/230161879.db2.gz OLNIXLKWDYDDSL-IXDOHACOSA-N 2 2 364.490 0.027 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000410631970 230161881 /nfs/dbraw/zinc/16/18/81/230161881.db2.gz OLNIXLKWDYDDSL-IXDOHACOSA-N 2 2 364.490 0.027 20 0 FCADLP C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410655245 230172246 /nfs/dbraw/zinc/17/22/46/230172246.db2.gz QPMCBLFEKCBUHJ-CABCVRRESA-N 2 2 370.563 0.823 20 0 FCADLP C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410655245 230172252 /nfs/dbraw/zinc/17/22/52/230172252.db2.gz QPMCBLFEKCBUHJ-CABCVRRESA-N 2 2 370.563 0.823 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000933243823 674251746 /nfs/dbraw/zinc/25/17/46/674251746.db2.gz NDNJJBMPLJEIJU-QGZVFWFLSA-N 2 2 354.539 0.876 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000933243823 674251747 /nfs/dbraw/zinc/25/17/47/674251747.db2.gz NDNJJBMPLJEIJU-QGZVFWFLSA-N 2 2 354.539 0.876 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CN3CCNC3=O)CC2)CC1 ZINC000933590976 674262231 /nfs/dbraw/zinc/26/22/31/674262231.db2.gz NDJMDUMGAASLGV-HNNXBMFYSA-N 2 2 351.495 0.276 20 0 FCADLP C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000189382338 533703907 /nfs/dbraw/zinc/70/39/07/533703907.db2.gz ILMWAMPOBOIGMN-SJORKVTESA-N 2 2 361.490 0.117 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000485781032 484330157 /nfs/dbraw/zinc/33/01/57/484330157.db2.gz HDMZZENUANOBSO-CYBMUJFWSA-N 2 2 359.434 0.268 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000302091458 488887774 /nfs/dbraw/zinc/88/77/74/488887774.db2.gz HAGJKSKOLRJLDO-DLBZAZTESA-N 2 2 361.490 0.986 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]cc3C(N)=O)CC2)CC1 ZINC000302240992 488888835 /nfs/dbraw/zinc/88/88/35/488888835.db2.gz XTLVKBXOXYNCHA-UHFFFAOYSA-N 2 2 359.474 0.951 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1)N1CCCC1 ZINC000363913137 488899842 /nfs/dbraw/zinc/89/98/42/488899842.db2.gz FZTKCFJUIKOVOL-SJORKVTESA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1)N1CCCC1 ZINC000363913137 488899846 /nfs/dbraw/zinc/89/98/46/488899846.db2.gz FZTKCFJUIKOVOL-SJORKVTESA-N 2 2 363.506 0.563 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278945489 488906248 /nfs/dbraw/zinc/90/62/48/488906248.db2.gz GOUYTMNTFPIWIS-GJZGRUSLSA-N 2 2 374.489 0.255 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287938137 488923427 /nfs/dbraw/zinc/92/34/27/488923427.db2.gz GYRCSURWNYJTTR-INIZCTEOSA-N 2 2 370.457 0.878 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283027 488943868 /nfs/dbraw/zinc/94/38/68/488943868.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283027 488943869 /nfs/dbraw/zinc/94/38/69/488943869.db2.gz YPADBAKFAOTBTI-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328838400 488941921 /nfs/dbraw/zinc/94/19/21/488941921.db2.gz NIUKOVPWMKGCPJ-OAHLLOKOSA-N 2 2 371.489 0.356 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000279439993 488942151 /nfs/dbraw/zinc/94/21/51/488942151.db2.gz KVOIOOVXQNTQNU-CQSZACIVSA-N 2 2 372.429 0.385 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288148874 488949924 /nfs/dbraw/zinc/94/99/24/488949924.db2.gz LZOWCOAATMATME-CQSZACIVSA-N 2 2 351.451 0.548 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288148874 488949928 /nfs/dbraw/zinc/94/99/28/488949928.db2.gz LZOWCOAATMATME-CQSZACIVSA-N 2 2 351.451 0.548 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000364408448 488956604 /nfs/dbraw/zinc/95/66/04/488956604.db2.gz DVVHZVNTRNPRIM-GJZGRUSLSA-N 2 2 368.503 0.413 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000045426028 487939458 /nfs/dbraw/zinc/93/94/58/487939458.db2.gz PEEBKWBWVPHNDL-UHFFFAOYSA-N 2 2 358.446 0.340 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000046230908 487972853 /nfs/dbraw/zinc/97/28/53/487972853.db2.gz BBENAAXEYFQHKL-UHFFFAOYSA-N 2 2 373.501 0.678 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCNC(=O)C3CC3)CC2)CC1 ZINC000050798625 488114350 /nfs/dbraw/zinc/11/43/50/488114350.db2.gz UNGHAMDECGHQGZ-UHFFFAOYSA-N 2 2 350.507 0.968 20 0 FCADLP O=C(C[NH+]1CCC(O)CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000051590534 488136983 /nfs/dbraw/zinc/13/69/83/488136983.db2.gz QAQKWDNJMJDIPO-UHFFFAOYSA-N 2 2 359.470 0.722 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364489520 488965028 /nfs/dbraw/zinc/96/50/28/488965028.db2.gz GEASVHXAMHQVSD-ZBFHGGJFSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364489520 488965032 /nfs/dbraw/zinc/96/50/32/488965032.db2.gz GEASVHXAMHQVSD-ZBFHGGJFSA-N 2 2 353.511 0.663 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000052649779 488175511 /nfs/dbraw/zinc/17/55/11/488175511.db2.gz LSYDQAMLEGRPMI-UHFFFAOYSA-N 2 2 357.414 0.470 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000052683483 488177803 /nfs/dbraw/zinc/17/78/03/488177803.db2.gz BVKBVHGMHPBBMD-OAHLLOKOSA-N 2 2 371.441 0.859 20 0 FCADLP CC(C)(CNC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000066665000 488334588 /nfs/dbraw/zinc/33/45/88/488334588.db2.gz YYWSWOSEPIBLSJ-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000562817870 491191886 /nfs/dbraw/zinc/19/18/86/491191886.db2.gz NLVGWPCDKKVNEM-QCEMKRCNSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000562817870 491191888 /nfs/dbraw/zinc/19/18/88/491191888.db2.gz NLVGWPCDKKVNEM-QCEMKRCNSA-N 2 2 352.458 0.630 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000072832612 488382934 /nfs/dbraw/zinc/38/29/34/488382934.db2.gz RYCNZUNRBOXQRE-LJQANCHMSA-N 2 2 360.458 0.526 20 0 FCADLP O=C(C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000072832612 488382935 /nfs/dbraw/zinc/38/29/35/488382935.db2.gz RYCNZUNRBOXQRE-LJQANCHMSA-N 2 2 360.458 0.526 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccco1 ZINC000073443343 488384584 /nfs/dbraw/zinc/38/45/84/488384584.db2.gz PCXBOIOYNIEKFT-RHSMWYFYSA-N 2 2 354.451 0.265 20 0 FCADLP C[C@@](O)(CNC(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000073570939 488385074 /nfs/dbraw/zinc/38/50/74/488385074.db2.gz AVDOCAPQRVZVMA-GOSISDBHSA-N 2 2 361.446 0.259 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccsc1 ZINC000073658631 488385758 /nfs/dbraw/zinc/38/57/58/488385758.db2.gz JPNFOXQPCWGICH-RDJZCZTQSA-N 2 2 370.519 0.733 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000073667260 488385830 /nfs/dbraw/zinc/38/58/30/488385830.db2.gz UJCVBHTUAMTGRM-ZWKOTPCHSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000073667260 488385831 /nfs/dbraw/zinc/38/58/31/488385831.db2.gz UJCVBHTUAMTGRM-ZWKOTPCHSA-N 3 2 369.554 0.765 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C[NH+]1CCCC1 ZINC000073773812 488386234 /nfs/dbraw/zinc/38/62/34/488386234.db2.gz CYKPQEMKZRUDNC-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000554335192 491194901 /nfs/dbraw/zinc/19/49/01/491194901.db2.gz FPTGIUQWPOJLSJ-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000554335192 491194904 /nfs/dbraw/zinc/19/49/04/491194904.db2.gz FPTGIUQWPOJLSJ-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335192 491194906 /nfs/dbraw/zinc/19/49/06/491194906.db2.gz FPTGIUQWPOJLSJ-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335192 491194909 /nfs/dbraw/zinc/19/49/09/491194909.db2.gz FPTGIUQWPOJLSJ-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183919016 488394657 /nfs/dbraw/zinc/39/46/57/488394657.db2.gz PTHNMPLFKHSLER-MRXNPFEDSA-N 2 2 366.481 0.767 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183919016 488394659 /nfs/dbraw/zinc/39/46/59/488394659.db2.gz PTHNMPLFKHSLER-MRXNPFEDSA-N 2 2 366.481 0.767 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000185297472 488400035 /nfs/dbraw/zinc/40/00/35/488400035.db2.gz JINVFRAWGYJKQQ-KZNAEPCWSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000185297472 488400038 /nfs/dbraw/zinc/40/00/38/488400038.db2.gz JINVFRAWGYJKQQ-KZNAEPCWSA-N 2 2 370.538 0.830 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185363030 488401133 /nfs/dbraw/zinc/40/11/33/488401133.db2.gz KFQVXRIDKHAIPM-QGZVFWFLSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185363030 488401136 /nfs/dbraw/zinc/40/11/36/488401136.db2.gz KFQVXRIDKHAIPM-QGZVFWFLSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185509808 488402060 /nfs/dbraw/zinc/40/20/60/488402060.db2.gz AISLZHUUTDVMMV-OKZBNKHCSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185509808 488402061 /nfs/dbraw/zinc/40/20/61/488402061.db2.gz AISLZHUUTDVMMV-OKZBNKHCSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185509808 488402064 /nfs/dbraw/zinc/40/20/64/488402064.db2.gz AISLZHUUTDVMMV-OKZBNKHCSA-N 2 2 369.554 0.811 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CC(=O)N3CCOCC3)c2cc1C ZINC000076572867 488406067 /nfs/dbraw/zinc/40/60/67/488406067.db2.gz ZOBWMVLCAQOSPX-INIZCTEOSA-N 2 2 360.458 0.805 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CC(=O)N3CCOCC3)c2cc1C ZINC000076572867 488406068 /nfs/dbraw/zinc/40/60/68/488406068.db2.gz ZOBWMVLCAQOSPX-INIZCTEOSA-N 2 2 360.458 0.805 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1)N1CCCC1 ZINC000076982570 488408140 /nfs/dbraw/zinc/40/81/40/488408140.db2.gz CKTNSGLRJGNYSG-QGZVFWFLSA-N 2 2 363.506 0.420 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1)N1CCCC1 ZINC000076982570 488408142 /nfs/dbraw/zinc/40/81/42/488408142.db2.gz CKTNSGLRJGNYSG-QGZVFWFLSA-N 2 2 363.506 0.420 20 0 FCADLP C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000189409731 488414570 /nfs/dbraw/zinc/41/45/70/488414570.db2.gz ILMWAMPOBOIGMN-IRXDYDNUSA-N 2 2 361.490 0.117 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189739923 488416069 /nfs/dbraw/zinc/41/60/69/488416069.db2.gz UODXSFAZKBOKQX-HNNXBMFYSA-N 2 2 363.510 0.975 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992919 488432956 /nfs/dbraw/zinc/43/29/56/488432956.db2.gz PDVXMTIZZBOELJ-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992919 488432957 /nfs/dbraw/zinc/43/29/57/488432957.db2.gz PDVXMTIZZBOELJ-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000080005559 488432982 /nfs/dbraw/zinc/43/29/82/488432982.db2.gz ZCBJIMKLYVRRNO-SFHVURJKSA-N 2 2 374.485 0.662 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000080005559 488432984 /nfs/dbraw/zinc/43/29/84/488432984.db2.gz ZCBJIMKLYVRRNO-SFHVURJKSA-N 2 2 374.485 0.662 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccs1 ZINC000080565916 488436408 /nfs/dbraw/zinc/43/64/08/488436408.db2.gz VDIKBXPRJOSQJC-PBHICJAKSA-N 2 2 370.519 0.733 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959763 488438223 /nfs/dbraw/zinc/43/82/23/488438223.db2.gz ZFAIBYPMLWBSBR-OAHLLOKOSA-N 2 2 371.441 0.770 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959763 488438226 /nfs/dbraw/zinc/43/82/26/488438226.db2.gz ZFAIBYPMLWBSBR-OAHLLOKOSA-N 2 2 371.441 0.770 20 0 FCADLP CCc1nc(CN2CC[NH+](CC(=O)NC3CC[NH+](CC)CC3)CC2)no1 ZINC000081161478 488439578 /nfs/dbraw/zinc/43/95/78/488439578.db2.gz SYUYENBLTUFJRP-UHFFFAOYSA-N 2 2 364.494 0.350 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000081395777 488442191 /nfs/dbraw/zinc/44/21/91/488442191.db2.gz JEEFJMZAJKOMQI-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000081395777 488442193 /nfs/dbraw/zinc/44/21/93/488442193.db2.gz JEEFJMZAJKOMQI-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000081395777 488442194 /nfs/dbraw/zinc/44/21/94/488442194.db2.gz JEEFJMZAJKOMQI-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000081395777 488442196 /nfs/dbraw/zinc/44/21/96/488442196.db2.gz JEEFJMZAJKOMQI-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000081529577 488443230 /nfs/dbraw/zinc/44/32/30/488443230.db2.gz OVFVTWWDNKRXGB-CQSZACIVSA-N 2 2 352.504 0.706 20 0 FCADLP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000081529577 488443232 /nfs/dbraw/zinc/44/32/32/488443232.db2.gz OVFVTWWDNKRXGB-CQSZACIVSA-N 2 2 352.504 0.706 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)n1C ZINC000083699429 488448114 /nfs/dbraw/zinc/44/81/14/488448114.db2.gz ITPWIDJRRFUCDJ-UHFFFAOYSA-N 2 2 351.499 0.311 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083699429 488448117 /nfs/dbraw/zinc/44/81/17/488448117.db2.gz ITPWIDJRRFUCDJ-UHFFFAOYSA-N 2 2 351.499 0.311 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000083693112 488448149 /nfs/dbraw/zinc/44/81/49/488448149.db2.gz MMPGTJUJYBMTKR-INIZCTEOSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000083713040 488448505 /nfs/dbraw/zinc/44/85/05/488448505.db2.gz ILOXYNXWQMVCTL-AOIWGVFYSA-N 2 2 370.538 0.831 20 0 FCADLP CC[NH+](CC)[C@H](CNC(=O)CN1CC[NH2+]CC1=O)c1cccc(OC)c1 ZINC000236876101 488454078 /nfs/dbraw/zinc/45/40/78/488454078.db2.gz CZUAMUNYPVAPDS-QGZVFWFLSA-N 2 2 362.474 0.626 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)CC(C)(C)[NH3+])CC1 ZINC000237139948 488454409 /nfs/dbraw/zinc/45/44/09/488454409.db2.gz GHKGZRVNADQXRE-UHFFFAOYSA-N 2 2 368.503 0.366 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000245944776 488467752 /nfs/dbraw/zinc/46/77/52/488467752.db2.gz WFXYAMWKELKMOK-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000245944776 488467754 /nfs/dbraw/zinc/46/77/54/488467754.db2.gz WFXYAMWKELKMOK-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246108761 488469374 /nfs/dbraw/zinc/46/93/74/488469374.db2.gz JKHKQFSROVCOER-DLBZAZTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246108761 488469376 /nfs/dbraw/zinc/46/93/76/488469376.db2.gz JKHKQFSROVCOER-DLBZAZTESA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246218948 488470910 /nfs/dbraw/zinc/47/09/10/488470910.db2.gz ZGOKKZHHGHKFDM-IXDOHACOSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246218948 488470911 /nfs/dbraw/zinc/47/09/11/488470911.db2.gz ZGOKKZHHGHKFDM-IXDOHACOSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246347874 488472137 /nfs/dbraw/zinc/47/21/37/488472137.db2.gz FJFKLDAFIHBWGS-ZWKOTPCHSA-N 2 2 370.538 0.689 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246347874 488472136 /nfs/dbraw/zinc/47/21/36/488472136.db2.gz FJFKLDAFIHBWGS-ZWKOTPCHSA-N 2 2 370.538 0.689 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000246869966 488477378 /nfs/dbraw/zinc/47/73/78/488477378.db2.gz VZPAQZZNYODJMN-BJLQDIEVSA-N 2 2 374.529 0.889 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000246869966 488477380 /nfs/dbraw/zinc/47/73/80/488477380.db2.gz VZPAQZZNYODJMN-BJLQDIEVSA-N 2 2 374.529 0.889 20 0 FCADLP CC(C)OCCCNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093159072 488477906 /nfs/dbraw/zinc/47/79/06/488477906.db2.gz XBHOGVUQKGXPDC-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCC[NH+]1CCOCC1 ZINC000269233263 488481427 /nfs/dbraw/zinc/48/14/27/488481427.db2.gz JALPHRAANXMCLN-IBGZPJMESA-N 2 2 371.485 0.640 20 0 FCADLP [NH3+]Cc1nc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cs1 ZINC000269280831 488486006 /nfs/dbraw/zinc/48/60/06/488486006.db2.gz FDYAWFPQWDFGSN-UHFFFAOYSA-N 2 2 361.475 0.334 20 0 FCADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247687747 488488899 /nfs/dbraw/zinc/48/88/99/488488899.db2.gz SHMYPCPWYAFEJG-FRRDWIJNSA-N 2 2 374.445 0.017 20 0 FCADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247687747 488488902 /nfs/dbraw/zinc/48/89/02/488488902.db2.gz SHMYPCPWYAFEJG-FRRDWIJNSA-N 2 2 374.445 0.017 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000097428540 488492927 /nfs/dbraw/zinc/49/29/27/488492927.db2.gz RANRBUPYMCBZNN-KRWDZBQOSA-N 2 2 365.522 0.810 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000248067491 488493312 /nfs/dbraw/zinc/49/33/12/488493312.db2.gz MIDJXTCMGAVQDE-ULQDDVLXSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000248067491 488493316 /nfs/dbraw/zinc/49/33/16/488493316.db2.gz MIDJXTCMGAVQDE-ULQDDVLXSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)N1CCCCC1 ZINC000248067491 488493318 /nfs/dbraw/zinc/49/33/18/488493318.db2.gz MIDJXTCMGAVQDE-ULQDDVLXSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)N1CCCCC1 ZINC000248067491 488493320 /nfs/dbraw/zinc/49/33/20/488493320.db2.gz MIDJXTCMGAVQDE-ULQDDVLXSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C)c1ncc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000269385091 488497821 /nfs/dbraw/zinc/49/78/21/488497821.db2.gz ZJTVWPRASSWXMW-CYBMUJFWSA-N 2 2 353.492 0.232 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248586758 488499149 /nfs/dbraw/zinc/49/91/49/488499149.db2.gz GGCZRTYPKZFFEU-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248586758 488499151 /nfs/dbraw/zinc/49/91/51/488499151.db2.gz GGCZRTYPKZFFEU-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248586758 488499152 /nfs/dbraw/zinc/49/91/52/488499152.db2.gz GGCZRTYPKZFFEU-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248586758 488499154 /nfs/dbraw/zinc/49/91/54/488499154.db2.gz GGCZRTYPKZFFEU-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248735258 488502055 /nfs/dbraw/zinc/50/20/55/488502055.db2.gz NIXOYOSJXQESFB-IAGOWNOFSA-N 2 2 369.473 0.905 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248735258 488502057 /nfs/dbraw/zinc/50/20/57/488502057.db2.gz NIXOYOSJXQESFB-IAGOWNOFSA-N 2 2 369.473 0.905 20 0 FCADLP CC(C)C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000105104332 488506959 /nfs/dbraw/zinc/50/69/59/488506959.db2.gz GUYARYATHRYOTB-QGZVFWFLSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@H](CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@H+](C)C1CC1 ZINC000105162871 488508041 /nfs/dbraw/zinc/50/80/41/488508041.db2.gz HZXVQUXJFIISAA-OAHLLOKOSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@H](CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@@H+](C)C1CC1 ZINC000105162871 488508043 /nfs/dbraw/zinc/50/80/43/488508043.db2.gz HZXVQUXJFIISAA-OAHLLOKOSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@H](CO)O1 ZINC000249286958 488508372 /nfs/dbraw/zinc/50/83/72/488508372.db2.gz LTNTUVRQFVHHJL-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@H](CO)O1 ZINC000249286958 488508375 /nfs/dbraw/zinc/50/83/75/488508375.db2.gz LTNTUVRQFVHHJL-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@H](CO)O1 ZINC000249286958 488508376 /nfs/dbraw/zinc/50/83/76/488508376.db2.gz LTNTUVRQFVHHJL-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@H](CO)O1 ZINC000249286958 488508378 /nfs/dbraw/zinc/50/83/78/488508378.db2.gz LTNTUVRQFVHHJL-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249424241 488509922 /nfs/dbraw/zinc/50/99/22/488509922.db2.gz XTFUKOBKHFCYOT-DLBZAZTESA-N 2 2 362.474 0.856 20 0 FCADLP COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249424241 488509924 /nfs/dbraw/zinc/50/99/24/488509924.db2.gz XTFUKOBKHFCYOT-DLBZAZTESA-N 2 2 362.474 0.856 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2c[nH+]cn2C)c1 ZINC000106246458 488512893 /nfs/dbraw/zinc/51/28/93/488512893.db2.gz USDOUMSLYBNMPJ-NSHDSACASA-N 2 2 351.432 0.445 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@H]1O ZINC000249594795 488513055 /nfs/dbraw/zinc/51/30/55/488513055.db2.gz WNVQIYGFBIHCPW-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[C@H]1O ZINC000249594795 488513058 /nfs/dbraw/zinc/51/30/58/488513058.db2.gz WNVQIYGFBIHCPW-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCS(=O)(=O)N(C)C)c2cc1C ZINC000563010290 491207649 /nfs/dbraw/zinc/20/76/49/491207649.db2.gz DSUQKOKCEOLBFA-AWEZNQCLSA-N 2 2 354.476 0.495 20 0 FCADLP CC1=CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000270365849 488516247 /nfs/dbraw/zinc/51/62/47/488516247.db2.gz SNFPJTMIXCQBPU-UHFFFAOYSA-N 2 2 355.446 0.664 20 0 FCADLP CC1=CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000270365849 488516249 /nfs/dbraw/zinc/51/62/49/488516249.db2.gz SNFPJTMIXCQBPU-UHFFFAOYSA-N 2 2 355.446 0.664 20 0 FCADLP CCOC(=O)CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000563009516 491207847 /nfs/dbraw/zinc/20/78/47/491207847.db2.gz AYWYQEMWSZLEGM-WTXIUTQJSA-N 2 2 355.479 0.364 20 0 FCADLP CCOC(=O)CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000563009516 491207849 /nfs/dbraw/zinc/20/78/49/491207849.db2.gz AYWYQEMWSZLEGM-WTXIUTQJSA-N 2 2 355.479 0.364 20 0 FCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261625148 488527906 /nfs/dbraw/zinc/52/79/06/488527906.db2.gz AGYLKGNUUOAYGZ-QZTJIDSGSA-N 2 2 369.469 0.794 20 0 FCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261625148 488527908 /nfs/dbraw/zinc/52/79/08/488527908.db2.gz AGYLKGNUUOAYGZ-QZTJIDSGSA-N 2 2 369.469 0.794 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261687509 488531044 /nfs/dbraw/zinc/53/10/44/488531044.db2.gz HILBHTXMMKYEMN-SFHVURJKSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261687509 488531046 /nfs/dbraw/zinc/53/10/46/488531046.db2.gz HILBHTXMMKYEMN-SFHVURJKSA-N 2 2 351.447 0.999 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261762919 488535122 /nfs/dbraw/zinc/53/51/22/488535122.db2.gz GAIZFUYVUQGDRY-QWHCGFSZSA-N 2 2 364.412 0.587 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261762919 488535124 /nfs/dbraw/zinc/53/51/24/488535124.db2.gz GAIZFUYVUQGDRY-QWHCGFSZSA-N 2 2 364.412 0.587 20 0 FCADLP COC(=O)c1coc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000271671626 488537327 /nfs/dbraw/zinc/53/73/27/488537327.db2.gz IDSJPVVQTKVBCE-UHFFFAOYSA-N 2 2 373.475 0.713 20 0 FCADLP COC(=O)c1coc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000271671626 488537330 /nfs/dbraw/zinc/53/73/30/488537330.db2.gz IDSJPVVQTKVBCE-UHFFFAOYSA-N 2 2 373.475 0.713 20 0 FCADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261827090 488537668 /nfs/dbraw/zinc/53/76/68/488537668.db2.gz VDDURUZYKQLCHR-OAHLLOKOSA-N 2 2 368.503 0.067 20 0 FCADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000261827090 488537669 /nfs/dbraw/zinc/53/76/69/488537669.db2.gz VDDURUZYKQLCHR-OAHLLOKOSA-N 2 2 368.503 0.067 20 0 FCADLP COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c[nH]1 ZINC000271684158 488538370 /nfs/dbraw/zinc/53/83/70/488538370.db2.gz KJORSAWQLNTDTH-UHFFFAOYSA-N 2 2 372.491 0.448 20 0 FCADLP COC(=O)c1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c[nH]1 ZINC000271684158 488538371 /nfs/dbraw/zinc/53/83/71/488538371.db2.gz KJORSAWQLNTDTH-UHFFFAOYSA-N 2 2 372.491 0.448 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000271688641 488538431 /nfs/dbraw/zinc/53/84/31/488538431.db2.gz JWEYLSQLBJRGTN-KRWDZBQOSA-N 2 2 365.499 0.741 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000113645113 488538609 /nfs/dbraw/zinc/53/86/09/488538609.db2.gz YJFRAYJYLZPCCL-MRXNPFEDSA-N 2 2 374.485 0.867 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000113598487 488538879 /nfs/dbraw/zinc/53/88/79/488538879.db2.gz REGNXRVQDYDBMK-IAGOWNOFSA-N 2 2 373.505 0.477 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000113598487 488538881 /nfs/dbraw/zinc/53/88/81/488538881.db2.gz REGNXRVQDYDBMK-IAGOWNOFSA-N 2 2 373.505 0.477 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC000261869669 488539508 /nfs/dbraw/zinc/53/95/08/488539508.db2.gz NXOYRPDCDLONPV-ZNMIVQPWSA-N 2 2 363.462 0.890 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC000261869669 488539509 /nfs/dbraw/zinc/53/95/09/488539509.db2.gz NXOYRPDCDLONPV-ZNMIVQPWSA-N 2 2 363.462 0.890 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262026480 488546905 /nfs/dbraw/zinc/54/69/05/488546905.db2.gz GLZAHCJUPVNMHB-WMZOPIPTSA-N 2 2 362.474 0.276 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000271979299 488556843 /nfs/dbraw/zinc/55/68/43/488556843.db2.gz MHPVRFRRRUSNMY-QGZVFWFLSA-N 2 2 361.442 0.496 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000120360760 488561517 /nfs/dbraw/zinc/56/15/17/488561517.db2.gz LPDMQKDRRNFSJP-KRWDZBQOSA-N 2 2 373.501 0.968 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000120360760 488561518 /nfs/dbraw/zinc/56/15/18/488561518.db2.gz LPDMQKDRRNFSJP-KRWDZBQOSA-N 2 2 373.501 0.968 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000121186971 488565214 /nfs/dbraw/zinc/56/52/14/488565214.db2.gz WNKXWBLEJQYJOR-MRXNPFEDSA-N 2 2 374.489 0.512 20 0 FCADLP CC[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCC[NH2+]1 ZINC000262412466 488569242 /nfs/dbraw/zinc/56/92/42/488569242.db2.gz PNWMPDMPBUSYCG-IBGZPJMESA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000121778225 488570866 /nfs/dbraw/zinc/57/08/66/488570866.db2.gz HVWRFQPUTKHUPT-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262489804 488573289 /nfs/dbraw/zinc/57/32/89/488573289.db2.gz WOWWIXRDBXDALJ-ZIAGYGMSSA-N 2 2 368.503 0.222 20 0 FCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262489799 488573469 /nfs/dbraw/zinc/57/34/69/488573469.db2.gz WOWWIXRDBXDALJ-KBPBESRZSA-N 2 2 368.503 0.222 20 0 FCADLP CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000122255253 488576500 /nfs/dbraw/zinc/57/65/00/488576500.db2.gz UMEHJZHYAHCGBE-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000262543610 488576558 /nfs/dbraw/zinc/57/65/58/488576558.db2.gz SZWIGVBBQYFWSE-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000569966894 491207297 /nfs/dbraw/zinc/20/72/97/491207297.db2.gz JNMUAEFQDXTMQD-INIZCTEOSA-N 2 2 363.462 0.194 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3ccnn3C)CC2)CC1 ZINC000563055548 491210906 /nfs/dbraw/zinc/21/09/06/491210906.db2.gz RFCAIYSWYQTNFF-UHFFFAOYSA-N 2 2 355.508 0.601 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3ccnn3C)CC2)CC1 ZINC000563055548 491210908 /nfs/dbraw/zinc/21/09/08/491210908.db2.gz RFCAIYSWYQTNFF-UHFFFAOYSA-N 2 2 355.508 0.601 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)CC1=O ZINC000262791098 488593812 /nfs/dbraw/zinc/59/38/12/488593812.db2.gz NHAVLNAEYWRFTC-CYBMUJFWSA-N 2 2 371.445 0.279 20 0 FCADLP C[C@]([NH3+])(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000262962740 488601252 /nfs/dbraw/zinc/60/12/52/488601252.db2.gz WTMFPOWLSIUTBB-LJQANCHMSA-N 2 2 354.458 0.589 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570043030 491211607 /nfs/dbraw/zinc/21/16/07/491211607.db2.gz QDXNCICEQZTFSJ-CQSZACIVSA-N 2 2 371.445 0.822 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263297865 488609382 /nfs/dbraw/zinc/60/93/82/488609382.db2.gz WQLPCATXNRBFRR-JTDSTZFVSA-N 2 2 366.506 0.286 20 0 FCADLP [NH3+][C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000263357995 488610605 /nfs/dbraw/zinc/61/06/05/488610605.db2.gz SJVMEYDHRQTIJY-KRWDZBQOSA-N 2 2 354.458 0.805 20 0 FCADLP O=S(=O)(CC[NH2+]CC1=CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126627446 488610682 /nfs/dbraw/zinc/61/06/82/488610682.db2.gz QHZWKIZUHFXLOT-UHFFFAOYSA-N 2 2 366.487 0.470 20 0 FCADLP COC[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000127193797 488615308 /nfs/dbraw/zinc/61/53/08/488615308.db2.gz XKIAKCUYNUJIFW-INIZCTEOSA-N 2 2 368.503 0.548 20 0 FCADLP COCCCNC(=O)[C@H](C)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127339601 488616225 /nfs/dbraw/zinc/61/62/25/488616225.db2.gz IMZAONQIERGMMN-INIZCTEOSA-N 2 2 351.495 0.740 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263753917 488624579 /nfs/dbraw/zinc/62/45/79/488624579.db2.gz UZXQWTMAELSBGJ-GJZGRUSLSA-N 2 2 350.467 0.514 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000263753917 488624580 /nfs/dbraw/zinc/62/45/80/488624580.db2.gz UZXQWTMAELSBGJ-GJZGRUSLSA-N 2 2 350.467 0.514 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000129381576 488630758 /nfs/dbraw/zinc/63/07/58/488630758.db2.gz HAYHFOFEHXALEI-CABCVRRESA-N 2 2 371.507 0.164 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000129381576 488630761 /nfs/dbraw/zinc/63/07/61/488630761.db2.gz HAYHFOFEHXALEI-CABCVRRESA-N 2 2 371.507 0.164 20 0 FCADLP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130532583 488638232 /nfs/dbraw/zinc/63/82/32/488638232.db2.gz AEVRXRVVWKRYSI-JYJNAYRXSA-N 2 2 359.474 0.752 20 0 FCADLP C[C@@H](CO[C@@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000131203318 488643613 /nfs/dbraw/zinc/64/36/13/488643613.db2.gz ZRBUSBCXBBTEEJ-DOTOQJQBSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H](CO[C@@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131203318 488643615 /nfs/dbraw/zinc/64/36/15/488643615.db2.gz ZRBUSBCXBBTEEJ-DOTOQJQBSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000264189713 488653592 /nfs/dbraw/zinc/65/35/92/488653592.db2.gz FDOQRKCHLYVEDN-OAGGEKHMSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000264189713 488653593 /nfs/dbraw/zinc/65/35/93/488653593.db2.gz FDOQRKCHLYVEDN-OAGGEKHMSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCN(C)CC1 ZINC000264208511 488654832 /nfs/dbraw/zinc/65/48/32/488654832.db2.gz HFBJLOFRRMJIBG-QGZVFWFLSA-N 2 2 362.518 0.922 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)c1 ZINC000264230819 488656763 /nfs/dbraw/zinc/65/67/63/488656763.db2.gz YOQYOSMCPMTPFT-UHFFFAOYSA-N 2 2 361.446 0.933 20 0 FCADLP COCC[N@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000264248130 488658016 /nfs/dbraw/zinc/65/80/16/488658016.db2.gz DCONXGBGIKKALG-UHFFFAOYSA-N 2 2 351.447 0.398 20 0 FCADLP COCC[N@@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000264248130 488658018 /nfs/dbraw/zinc/65/80/18/488658018.db2.gz DCONXGBGIKKALG-UHFFFAOYSA-N 2 2 351.447 0.398 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522754 488660401 /nfs/dbraw/zinc/66/04/01/488660401.db2.gz FTTSYFWFEBYLBE-AZUAARDMSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCN(C)CC1 ZINC000133522754 488660403 /nfs/dbraw/zinc/66/04/03/488660403.db2.gz FTTSYFWFEBYLBE-AZUAARDMSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522754 488660405 /nfs/dbraw/zinc/66/04/05/488660405.db2.gz FTTSYFWFEBYLBE-AZUAARDMSA-N 2 2 374.529 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)CN1CC[NH+](C)CC1 ZINC000133522754 488660406 /nfs/dbraw/zinc/66/04/06/488660406.db2.gz FTTSYFWFEBYLBE-AZUAARDMSA-N 2 2 374.529 0.887 20 0 FCADLP C[N@H+](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCSC1 ZINC000133921954 488663045 /nfs/dbraw/zinc/66/30/45/488663045.db2.gz LRAXBXSZIKMRPJ-OAHLLOKOSA-N 2 2 353.492 0.591 20 0 FCADLP C[N@@H+](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCSC1 ZINC000133921954 488663046 /nfs/dbraw/zinc/66/30/46/488663046.db2.gz LRAXBXSZIKMRPJ-OAHLLOKOSA-N 2 2 353.492 0.591 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570092999 491215933 /nfs/dbraw/zinc/21/59/33/491215933.db2.gz DYSNLTZOZLCOFZ-AEFFLSMTSA-N 2 2 374.485 0.277 20 0 FCADLP CNC(=O)[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570092999 491215935 /nfs/dbraw/zinc/21/59/35/491215935.db2.gz DYSNLTZOZLCOFZ-AEFFLSMTSA-N 2 2 374.485 0.277 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264333472 488664667 /nfs/dbraw/zinc/66/46/67/488664667.db2.gz NMGCPAOGMYBVJO-UHFFFAOYSA-N 2 2 362.430 0.790 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134894787 488669476 /nfs/dbraw/zinc/66/94/76/488669476.db2.gz ZQDNKNGFGUUPIB-RHSMWYFYSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134894787 488669478 /nfs/dbraw/zinc/66/94/78/488669478.db2.gz ZQDNKNGFGUUPIB-RHSMWYFYSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000134894787 488669480 /nfs/dbraw/zinc/66/94/80/488669480.db2.gz ZQDNKNGFGUUPIB-RHSMWYFYSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000134894787 488669482 /nfs/dbraw/zinc/66/94/82/488669482.db2.gz ZQDNKNGFGUUPIB-RHSMWYFYSA-N 2 2 367.519 0.647 20 0 FCADLP C[N@H+](CCNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000274218249 488691172 /nfs/dbraw/zinc/69/11/72/488691172.db2.gz MXAGQEVKVQHUOP-UHFFFAOYSA-N 2 2 373.494 0.899 20 0 FCADLP C[N@@H+](CCNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000274218249 488691173 /nfs/dbraw/zinc/69/11/73/488691173.db2.gz MXAGQEVKVQHUOP-UHFFFAOYSA-N 2 2 373.494 0.899 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000264717310 488702635 /nfs/dbraw/zinc/70/26/35/488702635.db2.gz KHVCNRKYZKWXAA-KRWDZBQOSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000264717310 488702637 /nfs/dbraw/zinc/70/26/37/488702637.db2.gz KHVCNRKYZKWXAA-KRWDZBQOSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000264766719 488709305 /nfs/dbraw/zinc/70/93/05/488709305.db2.gz VBVGYTCAAHOXLP-KRWDZBQOSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000264766719 488709306 /nfs/dbraw/zinc/70/93/06/488709306.db2.gz VBVGYTCAAHOXLP-KRWDZBQOSA-N 2 2 363.506 0.672 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151976935 488712037 /nfs/dbraw/zinc/71/20/37/488712037.db2.gz AMDBESSNMZLFQY-KRWDZBQOSA-N 2 2 369.554 0.358 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151976935 488712039 /nfs/dbraw/zinc/71/20/39/488712039.db2.gz AMDBESSNMZLFQY-KRWDZBQOSA-N 2 2 369.554 0.358 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)cc1 ZINC000563101620 491215164 /nfs/dbraw/zinc/21/51/64/491215164.db2.gz JMNQPDDNBFAOLM-QZTJIDSGSA-N 2 2 358.486 0.949 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)cc1 ZINC000563101620 491215166 /nfs/dbraw/zinc/21/51/66/491215166.db2.gz JMNQPDDNBFAOLM-QZTJIDSGSA-N 2 2 358.486 0.949 20 0 FCADLP CN1CCN(c2cc(NCC3([NH+]4CCCC4)CCOCC3)nc[nH+]2)CC1=O ZINC000274842777 488737217 /nfs/dbraw/zinc/73/72/17/488737217.db2.gz WAIBGRGWUYBDTD-UHFFFAOYSA-N 2 2 374.489 0.812 20 0 FCADLP O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000274869258 488739280 /nfs/dbraw/zinc/73/92/80/488739280.db2.gz KCDVQPJIXVRNKW-UHFFFAOYSA-N 2 2 373.482 0.534 20 0 FCADLP O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000274869258 488739283 /nfs/dbraw/zinc/73/92/83/488739283.db2.gz KCDVQPJIXVRNKW-UHFFFAOYSA-N 2 2 373.482 0.534 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154529800 488744084 /nfs/dbraw/zinc/74/40/84/488744084.db2.gz QQKFMQQFPRHUBZ-JYJNAYRXSA-N 2 2 354.495 0.155 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000266922679 488744569 /nfs/dbraw/zinc/74/45/69/488744569.db2.gz MIBXLCSUFVNAFO-UHFFFAOYSA-N 2 2 361.421 0.876 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000266939466 488746365 /nfs/dbraw/zinc/74/63/65/488746365.db2.gz QPTXTSISZRTVNF-GFCCVEGCSA-N 2 2 374.445 0.973 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c1=O ZINC000266939466 488746367 /nfs/dbraw/zinc/74/63/67/488746367.db2.gz QPTXTSISZRTVNF-GFCCVEGCSA-N 2 2 374.445 0.973 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)ccn2)CC1 ZINC000155808870 488759490 /nfs/dbraw/zinc/75/94/90/488759490.db2.gz SKNAODRVXICYMG-IRXDYDNUSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)ccn2)CC1 ZINC000155808870 488759492 /nfs/dbraw/zinc/75/94/92/488759492.db2.gz SKNAODRVXICYMG-IRXDYDNUSA-N 2 2 374.489 0.058 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C[NH+]1CCOCC1 ZINC000156026194 488761797 /nfs/dbraw/zinc/76/17/97/488761797.db2.gz SDQLEVJFBXMHCY-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP COCC[NH+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000267168071 488766792 /nfs/dbraw/zinc/76/67/92/488766792.db2.gz OHNNQBXGYAZAJZ-UHFFFAOYSA-N 2 2 363.462 0.643 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267174069 488767168 /nfs/dbraw/zinc/76/71/68/488767168.db2.gz PCONCCOIEJVZFF-UHFFFAOYSA-N 2 2 368.507 0.386 20 0 FCADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275208699 488772845 /nfs/dbraw/zinc/77/28/45/488772845.db2.gz RTUWJKNPNRYADV-KFKAGJAMSA-N 2 2 371.485 0.822 20 0 FCADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275208699 488772846 /nfs/dbraw/zinc/77/28/46/488772846.db2.gz RTUWJKNPNRYADV-KFKAGJAMSA-N 2 2 371.485 0.822 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000570165240 491221439 /nfs/dbraw/zinc/22/14/39/491221439.db2.gz PSPHGDPMHNNDSP-HRAATJIYSA-N 2 2 370.497 0.729 20 0 FCADLP Cc1nc2n(n1)CC[N@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000267349953 488779859 /nfs/dbraw/zinc/77/98/59/488779859.db2.gz FRTLCLRLNBFWKE-UHFFFAOYSA-N 2 2 355.446 0.536 20 0 FCADLP Cc1nc2n(n1)CC[N@@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000267349953 488779860 /nfs/dbraw/zinc/77/98/60/488779860.db2.gz FRTLCLRLNBFWKE-UHFFFAOYSA-N 2 2 355.446 0.536 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000267418474 488785010 /nfs/dbraw/zinc/78/50/10/488785010.db2.gz CBWQNQVDSHKKBQ-ZIAGYGMSSA-N 2 2 368.503 0.537 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccsc1 ZINC000267530797 488794662 /nfs/dbraw/zinc/79/46/62/488794662.db2.gz VQNKMDBDFRJXRP-CQSZACIVSA-N 2 2 367.519 0.942 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000162285472 488801504 /nfs/dbraw/zinc/80/15/04/488801504.db2.gz DWOAGKNPUYIBAR-IAGOWNOFSA-N 2 2 374.485 0.405 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000162285472 488801506 /nfs/dbraw/zinc/80/15/06/488801506.db2.gz DWOAGKNPUYIBAR-IAGOWNOFSA-N 2 2 374.485 0.405 20 0 FCADLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000162333787 488802030 /nfs/dbraw/zinc/80/20/30/488802030.db2.gz XKMIINUVRPDNBC-CYBMUJFWSA-N 2 2 374.894 0.062 20 0 FCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000162333787 488802032 /nfs/dbraw/zinc/80/20/32/488802032.db2.gz XKMIINUVRPDNBC-CYBMUJFWSA-N 2 2 374.894 0.062 20 0 FCADLP COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162405798 488802631 /nfs/dbraw/zinc/80/26/31/488802631.db2.gz QIPJVZYJLFVRMS-CABCVRRESA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162405798 488802632 /nfs/dbraw/zinc/80/26/32/488802632.db2.gz QIPJVZYJLFVRMS-CABCVRRESA-N 2 2 360.458 0.458 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000162608066 488804122 /nfs/dbraw/zinc/80/41/22/488804122.db2.gz GJMZYTKYQDMCLH-DOTOQJQBSA-N 2 2 351.447 0.396 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000162608066 488804124 /nfs/dbraw/zinc/80/41/24/488804124.db2.gz GJMZYTKYQDMCLH-DOTOQJQBSA-N 2 2 351.447 0.396 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000163462346 488807320 /nfs/dbraw/zinc/80/73/20/488807320.db2.gz FUIRRBSDRFDXAE-MSOLQXFVSA-N 2 2 368.522 0.709 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000163462065 488807452 /nfs/dbraw/zinc/80/74/52/488807452.db2.gz FUIRRBSDRFDXAE-ZWKOTPCHSA-N 2 2 368.522 0.709 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656620 488825080 /nfs/dbraw/zinc/82/50/80/488825080.db2.gz MWUGPKUUFPAKPB-UHFFFAOYSA-N 2 2 352.401 0.397 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000171006444 488819040 /nfs/dbraw/zinc/81/90/40/488819040.db2.gz PBVXMWCCYOXVDH-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000171006444 488819041 /nfs/dbraw/zinc/81/90/41/488819041.db2.gz PBVXMWCCYOXVDH-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP CN(C)C(=O)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171181918 488820689 /nfs/dbraw/zinc/82/06/89/488820689.db2.gz HUDBYBPASNZCQS-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP Cn1c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)nc2ccccc2c1=O ZINC000171657500 488825355 /nfs/dbraw/zinc/82/53/55/488825355.db2.gz JZEJQEHLNRFZST-UHFFFAOYSA-N 2 2 371.485 0.823 20 0 FCADLP CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000172181367 488830739 /nfs/dbraw/zinc/83/07/39/488830739.db2.gz SRGHJYSMAIIFQL-DLBZAZTESA-N 2 2 360.458 0.851 20 0 FCADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000172181367 488830741 /nfs/dbraw/zinc/83/07/41/488830741.db2.gz SRGHJYSMAIIFQL-DLBZAZTESA-N 2 2 360.458 0.851 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC(C)C ZINC000172170540 488830796 /nfs/dbraw/zinc/83/07/96/488830796.db2.gz FJWJWBCZPRHPTO-UHFFFAOYSA-N 2 2 359.478 0.990 20 0 FCADLP CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC(C)C ZINC000172170540 488830797 /nfs/dbraw/zinc/83/07/97/488830797.db2.gz FJWJWBCZPRHPTO-UHFFFAOYSA-N 2 2 359.478 0.990 20 0 FCADLP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[NH+]1CCN(C)CC1 ZINC000172809971 488838398 /nfs/dbraw/zinc/83/83/98/488838398.db2.gz LKDBPBZWURWPCY-SFHVURJKSA-N 2 2 374.533 0.346 20 0 FCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645436 488843981 /nfs/dbraw/zinc/84/39/81/488843981.db2.gz ISNIWUAPZXFJIM-QGZVFWFLSA-N 2 2 360.506 0.931 20 0 FCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645436 488843982 /nfs/dbraw/zinc/84/39/82/488843982.db2.gz ISNIWUAPZXFJIM-QGZVFWFLSA-N 2 2 360.506 0.931 20 0 FCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645436 488843983 /nfs/dbraw/zinc/84/39/83/488843983.db2.gz ISNIWUAPZXFJIM-QGZVFWFLSA-N 2 2 360.506 0.931 20 0 FCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645436 488843984 /nfs/dbraw/zinc/84/39/84/488843984.db2.gz ISNIWUAPZXFJIM-QGZVFWFLSA-N 2 2 360.506 0.931 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000174290450 488848211 /nfs/dbraw/zinc/84/82/11/488848211.db2.gz DGDJBLPAMRCPRA-RTBURBONSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000174290450 488848212 /nfs/dbraw/zinc/84/82/12/488848212.db2.gz DGDJBLPAMRCPRA-RTBURBONSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000174290462 488848469 /nfs/dbraw/zinc/84/84/69/488848469.db2.gz DGDJBLPAMRCPRA-RBUKOAKNSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000174290462 488848470 /nfs/dbraw/zinc/84/84/70/488848470.db2.gz DGDJBLPAMRCPRA-RBUKOAKNSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@](O)(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481914 488849334 /nfs/dbraw/zinc/84/93/34/488849334.db2.gz LQDQMSLMXSFEDP-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@](O)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481914 488849335 /nfs/dbraw/zinc/84/93/35/488849335.db2.gz LQDQMSLMXSFEDP-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174783736 488851073 /nfs/dbraw/zinc/85/10/73/488851073.db2.gz DTHYIQHRERJJIJ-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CNC(=O)CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000175040803 488852925 /nfs/dbraw/zinc/85/29/25/488852925.db2.gz XCZCGFKPSRHJML-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP Cc1cc(N2CCC(NC(=O)NCC[NH+]3CCOCC3)CC2)nc(C)[nH+]1 ZINC000175514071 488854353 /nfs/dbraw/zinc/85/43/53/488854353.db2.gz JDVIYIRXXDKYRQ-UHFFFAOYSA-N 2 2 362.478 0.694 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000175650414 488854844 /nfs/dbraw/zinc/85/48/44/488854844.db2.gz FUCXXQOJEUOJLX-FGTMMUONSA-N 2 2 368.522 0.705 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000175711047 488854961 /nfs/dbraw/zinc/85/49/61/488854961.db2.gz XCEPXWDXGVIDPV-GOSISDBHSA-N 2 2 364.490 0.453 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000175711047 488854962 /nfs/dbraw/zinc/85/49/62/488854962.db2.gz XCEPXWDXGVIDPV-GOSISDBHSA-N 2 2 364.490 0.453 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C[NH+]1CCN(C)CC1 ZINC000175775632 488855522 /nfs/dbraw/zinc/85/55/22/488855522.db2.gz QUGZFUUKWRDZEP-GOSISDBHSA-N 2 2 374.533 0.792 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000175780580 488855630 /nfs/dbraw/zinc/85/56/30/488855630.db2.gz DNAOWWGHFJAOLR-KRWDZBQOSA-N 2 2 355.527 0.234 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000175780580 488855631 /nfs/dbraw/zinc/85/56/31/488855631.db2.gz DNAOWWGHFJAOLR-KRWDZBQOSA-N 2 2 355.527 0.234 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000179320287 488860988 /nfs/dbraw/zinc/86/09/88/488860988.db2.gz JBRVZUCZLNDKII-HOTGVXAUSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000329172148 488977013 /nfs/dbraw/zinc/97/70/13/488977013.db2.gz KXVUJGLIZDCGNB-FZKCQIBNSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000329172148 488977015 /nfs/dbraw/zinc/97/70/15/488977015.db2.gz KXVUJGLIZDCGNB-FZKCQIBNSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@H+]1C ZINC000329172148 488977019 /nfs/dbraw/zinc/97/70/19/488977019.db2.gz KXVUJGLIZDCGNB-FZKCQIBNSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1CN(C(=O)COCC(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@@H+]1C ZINC000329172148 488977021 /nfs/dbraw/zinc/97/70/21/488977021.db2.gz KXVUJGLIZDCGNB-FZKCQIBNSA-N 2 2 354.495 0.105 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)C1=O ZINC000329197038 488979914 /nfs/dbraw/zinc/97/99/14/488979914.db2.gz VBIITZADTFYSOM-QGZVFWFLSA-N 2 2 368.441 0.692 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000364649086 488981944 /nfs/dbraw/zinc/98/19/44/488981944.db2.gz SWALRBPAQRQOAW-UHFFFAOYSA-N 2 2 373.505 0.919 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000364649086 488981946 /nfs/dbraw/zinc/98/19/46/488981946.db2.gz SWALRBPAQRQOAW-UHFFFAOYSA-N 2 2 373.505 0.919 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000329342671 488995289 /nfs/dbraw/zinc/99/52/89/488995289.db2.gz PRTBIFOKGCNSNT-DOTOQJQBSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000329342671 488995292 /nfs/dbraw/zinc/99/52/92/488995292.db2.gz PRTBIFOKGCNSNT-DOTOQJQBSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342671 488995294 /nfs/dbraw/zinc/99/52/94/488995294.db2.gz PRTBIFOKGCNSNT-DOTOQJQBSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1CC(C)(C)O ZINC000329342671 488995297 /nfs/dbraw/zinc/99/52/97/488995297.db2.gz PRTBIFOKGCNSNT-DOTOQJQBSA-N 2 2 353.507 0.933 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000364753627 488997133 /nfs/dbraw/zinc/99/71/33/488997133.db2.gz GLRNLDJWMPNYLW-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000364753627 488997136 /nfs/dbraw/zinc/99/71/36/488997136.db2.gz GLRNLDJWMPNYLW-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP CCc1ncsc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364753632 488997354 /nfs/dbraw/zinc/99/73/54/488997354.db2.gz GNBYKEZIDIPOON-LBPRGKRZSA-N 2 2 365.503 0.929 20 0 FCADLP CCc1ncsc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364753632 488997356 /nfs/dbraw/zinc/99/73/56/488997356.db2.gz GNBYKEZIDIPOON-LBPRGKRZSA-N 2 2 365.503 0.929 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000364826283 489006456 /nfs/dbraw/zinc/00/64/56/489006456.db2.gz HMRNLLHHIXRIRF-KRWDZBQOSA-N 2 2 359.474 0.373 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000364826283 489006458 /nfs/dbraw/zinc/00/64/58/489006458.db2.gz HMRNLLHHIXRIRF-KRWDZBQOSA-N 2 2 359.474 0.373 20 0 FCADLP O[C@@H]1C[C@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@H+](Cc2ccccc2)C1 ZINC000364908710 489016303 /nfs/dbraw/zinc/01/63/03/489016303.db2.gz JNMLWWJHWYHSJW-QZTJIDSGSA-N 2 2 369.469 1.361 20 0 FCADLP O[C@@H]1C[C@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@@H+](Cc2ccccc2)C1 ZINC000364908710 489016306 /nfs/dbraw/zinc/01/63/06/489016306.db2.gz JNMLWWJHWYHSJW-QZTJIDSGSA-N 2 2 369.469 1.361 20 0 FCADLP O[C@H]1C[C@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@H+](Cc2ccccc2)C1 ZINC000364908709 489016415 /nfs/dbraw/zinc/01/64/15/489016415.db2.gz JNMLWWJHWYHSJW-MSOLQXFVSA-N 2 2 369.469 1.361 20 0 FCADLP O[C@H]1C[C@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@@H+](Cc2ccccc2)C1 ZINC000364908709 489016417 /nfs/dbraw/zinc/01/64/17/489016417.db2.gz JNMLWWJHWYHSJW-MSOLQXFVSA-N 2 2 369.469 1.361 20 0 FCADLP O=C([C@H]1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1)N1CCn2c[nH+]cc2C1 ZINC000329636258 489022820 /nfs/dbraw/zinc/02/28/20/489022820.db2.gz YAYXDNGVERXYCO-IRXDYDNUSA-N 2 2 368.441 0.881 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C(N)=O)C3)CC2)c1 ZINC000280688442 489024785 /nfs/dbraw/zinc/02/47/85/489024785.db2.gz HJLLDVDLENSLNE-HXUWFJFHSA-N 2 2 358.486 0.837 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@](C)(C(N)=O)C3)CC2)c1 ZINC000280688442 489024788 /nfs/dbraw/zinc/02/47/88/489024788.db2.gz HJLLDVDLENSLNE-HXUWFJFHSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329710575 489029796 /nfs/dbraw/zinc/02/97/96/489029796.db2.gz MIXPPAPQUHMZPN-PMPSAXMXSA-N 2 2 352.479 0.803 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329710575 489029799 /nfs/dbraw/zinc/02/97/99/489029799.db2.gz MIXPPAPQUHMZPN-PMPSAXMXSA-N 2 2 352.479 0.803 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[N@H+](CC(=O)N3CCCC3)CC1)C2 ZINC000329794980 489036565 /nfs/dbraw/zinc/03/65/65/489036565.db2.gz WGCZBVASSNDDAF-KRWDZBQOSA-N 2 2 373.501 0.911 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)C2 ZINC000329794980 489036568 /nfs/dbraw/zinc/03/65/68/489036568.db2.gz WGCZBVASSNDDAF-KRWDZBQOSA-N 2 2 373.501 0.911 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000365151959 489043788 /nfs/dbraw/zinc/04/37/88/489043788.db2.gz VHFNOCQHOUOIQS-SJORKVTESA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)n1cncn1 ZINC000281087420 489052924 /nfs/dbraw/zinc/05/29/24/489052924.db2.gz VACGDOKKSLZUQN-INIZCTEOSA-N 2 2 358.494 0.994 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000365257920 489054613 /nfs/dbraw/zinc/05/46/13/489054613.db2.gz KPRLATAKRKZZQM-INIZCTEOSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000365257920 489054617 /nfs/dbraw/zinc/05/46/17/489054617.db2.gz KPRLATAKRKZZQM-INIZCTEOSA-N 3 2 353.511 0.176 20 0 FCADLP C[C@H]1CC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000330074207 489066577 /nfs/dbraw/zinc/06/65/77/489066577.db2.gz FOBQWMPCKWPBII-RDJZCZTQSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000289431066 489066585 /nfs/dbraw/zinc/06/65/85/489066585.db2.gz VSFZAFCNYXIFDF-ZDUSSCGKSA-N 2 2 361.446 0.931 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000289431066 489066589 /nfs/dbraw/zinc/06/65/89/489066589.db2.gz VSFZAFCNYXIFDF-ZDUSSCGKSA-N 2 2 361.446 0.931 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000289511619 489073150 /nfs/dbraw/zinc/07/31/50/489073150.db2.gz ABXPVYCHMJAEQR-QLFBSQMISA-N 2 2 357.458 0.518 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000289511619 489073153 /nfs/dbraw/zinc/07/31/53/489073153.db2.gz ABXPVYCHMJAEQR-QLFBSQMISA-N 2 2 357.458 0.518 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000365480119 489080309 /nfs/dbraw/zinc/08/03/09/489080309.db2.gz BQJQEDUQYJXKIE-UHFFFAOYSA-N 2 2 366.506 0.605 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc[nH+]1 ZINC000365493753 489080853 /nfs/dbraw/zinc/08/08/53/489080853.db2.gz BEXNLNOYSMKTEW-ULQDDVLXSA-N 2 2 361.490 0.863 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000289718224 489088628 /nfs/dbraw/zinc/08/86/28/489088628.db2.gz GAIOKJKVGGLKDE-AWEZNQCLSA-N 2 2 363.462 0.838 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000365679114 489099401 /nfs/dbraw/zinc/09/94/01/489099401.db2.gz WGDFDRCKQFZUPB-OAHLLOKOSA-N 2 2 362.478 0.473 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000365738201 489107182 /nfs/dbraw/zinc/10/71/82/489107182.db2.gz RNJYCTLFTFNOJH-MRXNPFEDSA-N 2 2 362.430 0.835 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000365738201 489107186 /nfs/dbraw/zinc/10/71/86/489107186.db2.gz RNJYCTLFTFNOJH-MRXNPFEDSA-N 2 2 362.430 0.835 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC000365737647 489107419 /nfs/dbraw/zinc/10/74/19/489107419.db2.gz QEXCWCQDPVSUAI-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC000365737647 489107420 /nfs/dbraw/zinc/10/74/20/489107420.db2.gz QEXCWCQDPVSUAI-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000290128874 489116795 /nfs/dbraw/zinc/11/67/95/489116795.db2.gz LQUMMNSDWJLDGF-NEWSRXKRSA-N 2 2 361.486 0.959 20 0 FCADLP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000281924968 489117036 /nfs/dbraw/zinc/11/70/36/489117036.db2.gz CYUKNWDGFHYWLQ-HIFRSBDPSA-N 2 2 357.462 0.790 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000563269568 491234202 /nfs/dbraw/zinc/23/42/02/491234202.db2.gz VUDOBZFDXWFPNM-LSDHHAIUSA-N 2 2 365.503 0.740 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000290172264 489119329 /nfs/dbraw/zinc/11/93/29/489119329.db2.gz DVOQCUURMABPNI-OAHLLOKOSA-N 2 2 367.421 0.759 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N3CCCC3)CC1)C2 ZINC000290296479 489128697 /nfs/dbraw/zinc/12/86/97/489128697.db2.gz DQFQEHSIOGQMEQ-NVXWUHKLSA-N 2 2 373.501 0.909 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290346339 489132568 /nfs/dbraw/zinc/13/25/68/489132568.db2.gz FTAARPYKXRCBOK-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000366079336 489142632 /nfs/dbraw/zinc/14/26/32/489142632.db2.gz LRPLTLOXSXTQMI-MSOLQXFVSA-N 2 2 367.538 0.517 20 0 FCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366097988 489144912 /nfs/dbraw/zinc/14/49/12/489144912.db2.gz WBBNFCAOMBFBDW-RTBURBONSA-N 2 2 359.470 0.821 20 0 FCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366097988 489144913 /nfs/dbraw/zinc/14/49/13/489144913.db2.gz WBBNFCAOMBFBDW-RTBURBONSA-N 2 2 359.470 0.821 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C2 ZINC000555028776 491235523 /nfs/dbraw/zinc/23/55/23/491235523.db2.gz VNNYJZOZJPGPGM-HNNXBMFYSA-N 2 2 358.446 0.921 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290618143 489153173 /nfs/dbraw/zinc/15/31/73/489153173.db2.gz SDMQRFQMZWUZMY-HZPDHXFCSA-N 2 2 359.474 0.719 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290618131 489153236 /nfs/dbraw/zinc/15/32/36/489153236.db2.gz SDMQRFQMZWUZMY-HOTGVXAUSA-N 2 2 359.474 0.719 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000570368177 491236390 /nfs/dbraw/zinc/23/63/90/491236390.db2.gz XCKDMCKXVXYGFY-MRXNPFEDSA-N 2 2 373.501 0.967 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000570368177 491236393 /nfs/dbraw/zinc/23/63/93/491236393.db2.gz XCKDMCKXVXYGFY-MRXNPFEDSA-N 2 2 373.501 0.967 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000290790137 489165504 /nfs/dbraw/zinc/16/55/04/489165504.db2.gz QGYSXQIRFIPNML-KRWDZBQOSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000290790137 489165506 /nfs/dbraw/zinc/16/55/06/489165506.db2.gz QGYSXQIRFIPNML-KRWDZBQOSA-N 2 2 371.485 0.863 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000290886722 489171491 /nfs/dbraw/zinc/17/14/91/489171491.db2.gz SUQPNXCZZFKEDJ-UHFFFAOYSA-N 2 2 358.446 0.711 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000331206827 489185125 /nfs/dbraw/zinc/18/51/25/489185125.db2.gz DUTPGBPWWFFSKJ-LSDHHAIUSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000331206827 489185129 /nfs/dbraw/zinc/18/51/29/489185129.db2.gz DUTPGBPWWFFSKJ-LSDHHAIUSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@]2(CCCOC2)O1 ZINC000366480918 489187925 /nfs/dbraw/zinc/18/79/25/489187925.db2.gz FDUIQYRPQHCFGX-VQIMIIECSA-N 2 2 361.490 0.998 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@]2(CCCOC2)O1 ZINC000366480918 489187927 /nfs/dbraw/zinc/18/79/27/489187927.db2.gz FDUIQYRPQHCFGX-VQIMIIECSA-N 2 2 361.490 0.998 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482368 489188198 /nfs/dbraw/zinc/18/81/98/489188198.db2.gz WOGRSWZFPRXKEB-UKRRQHHQSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482368 489188201 /nfs/dbraw/zinc/18/82/01/489188201.db2.gz WOGRSWZFPRXKEB-UKRRQHHQSA-N 2 2 374.551 0.235 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350830 491238660 /nfs/dbraw/zinc/23/86/60/491238660.db2.gz RJVNTTAXLNVQKY-KRWDZBQOSA-N 3 2 356.555 0.715 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350830 491238662 /nfs/dbraw/zinc/23/86/62/491238662.db2.gz RJVNTTAXLNVQKY-KRWDZBQOSA-N 3 2 356.555 0.715 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000331427631 489209813 /nfs/dbraw/zinc/20/98/13/489209813.db2.gz FYGQEEZZMIUEOK-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000331427631 489209815 /nfs/dbraw/zinc/20/98/15/489209815.db2.gz FYGQEEZZMIUEOK-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331427631 489209816 /nfs/dbraw/zinc/20/98/16/489209816.db2.gz FYGQEEZZMIUEOK-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331427631 489209818 /nfs/dbraw/zinc/20/98/18/489209818.db2.gz FYGQEEZZMIUEOK-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000555136357 491239606 /nfs/dbraw/zinc/23/96/06/491239606.db2.gz VSXXZVGAVOEGHA-IBGZPJMESA-N 3 2 360.502 0.619 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000283069339 489212375 /nfs/dbraw/zinc/21/23/75/489212375.db2.gz UQXACZDKSLTCPP-IBGZPJMESA-N 2 2 369.469 0.844 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000283069339 489212378 /nfs/dbraw/zinc/21/23/78/489212378.db2.gz UQXACZDKSLTCPP-IBGZPJMESA-N 2 2 369.469 0.844 20 0 FCADLP CCOc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000283085953 489214210 /nfs/dbraw/zinc/21/42/10/489214210.db2.gz LAHZLLNSUFUXDJ-UHFFFAOYSA-N 2 2 361.490 0.766 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000331654360 489215626 /nfs/dbraw/zinc/21/56/26/489215626.db2.gz RZEOIIGKAWJHLC-PMPSAXMXSA-N 2 2 351.495 0.594 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332565035 489221318 /nfs/dbraw/zinc/22/13/18/489221318.db2.gz APVQDSNUFKGXFT-OAHLLOKOSA-N 2 2 365.499 0.942 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332565035 489221320 /nfs/dbraw/zinc/22/13/20/489221320.db2.gz APVQDSNUFKGXFT-OAHLLOKOSA-N 2 2 365.499 0.942 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297702073 489226766 /nfs/dbraw/zinc/22/67/66/489226766.db2.gz BZEVODZCMADUOX-LJQANCHMSA-N 2 2 357.458 0.284 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297702073 489226767 /nfs/dbraw/zinc/22/67/67/489226767.db2.gz BZEVODZCMADUOX-LJQANCHMSA-N 2 2 357.458 0.284 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000283227601 489229946 /nfs/dbraw/zinc/22/99/46/489229946.db2.gz AEKMMMPRCKDDTQ-MRXNPFEDSA-N 2 2 373.457 0.806 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000332786630 489230414 /nfs/dbraw/zinc/23/04/14/489230414.db2.gz HCLFCTXBZNLYEL-RDJZCZTQSA-N 2 2 357.520 0.279 20 0 FCADLP CCc1ccc([C@H](CNC(=O)C(=O)NCCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000283239597 489232206 /nfs/dbraw/zinc/23/22/06/489232206.db2.gz CPTFDRGCKDJCAG-KRWDZBQOSA-N 2 2 357.458 0.981 20 0 FCADLP C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000369424930 489234976 /nfs/dbraw/zinc/23/49/76/489234976.db2.gz JAXIPWNXNCUFBG-HNNXBMFYSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@H]1CC(=O)NCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000369424930 489234979 /nfs/dbraw/zinc/23/49/79/489234979.db2.gz JAXIPWNXNCUFBG-HNNXBMFYSA-N 2 2 360.458 0.668 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332855205 489239398 /nfs/dbraw/zinc/23/93/98/489239398.db2.gz YVYCZJOPXXUUQO-FGTMMUONSA-N 2 2 367.538 0.299 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332855205 489239401 /nfs/dbraw/zinc/23/94/01/489239401.db2.gz YVYCZJOPXXUUQO-FGTMMUONSA-N 2 2 367.538 0.299 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC[N@@H+]1CCOC ZINC000297785382 489239942 /nfs/dbraw/zinc/23/99/42/489239942.db2.gz KGGWDEVJJAFLKP-HNNXBMFYSA-N 2 2 365.478 0.338 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC[N@H+]1CCOC ZINC000297785382 489239946 /nfs/dbraw/zinc/23/99/46/489239946.db2.gz KGGWDEVJJAFLKP-HNNXBMFYSA-N 2 2 365.478 0.338 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297788250 489241087 /nfs/dbraw/zinc/24/10/87/489241087.db2.gz RCNAURRPQMHOOM-JKSUJKDBSA-N 2 2 365.478 0.329 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000297809693 489244628 /nfs/dbraw/zinc/24/46/28/489244628.db2.gz LMGXVDZMJGQGBR-ZACQAIPSSA-N 2 2 357.458 0.765 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000283372113 489251082 /nfs/dbraw/zinc/25/10/82/489251082.db2.gz VPSULIZZGQTHRT-HNNXBMFYSA-N 2 2 359.430 0.936 20 0 FCADLP CN1CC[C@@H]([N@H+](C)CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000369551373 489251172 /nfs/dbraw/zinc/25/11/72/489251172.db2.gz CONSAJDCGHQKGU-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CN1CC[C@@H]([N@@H+](C)CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000369551373 489251175 /nfs/dbraw/zinc/25/11/75/489251175.db2.gz CONSAJDCGHQKGU-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570451195 491241896 /nfs/dbraw/zinc/24/18/96/491241896.db2.gz IIRMYOBVLZAXPI-NWANDNLSSA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570451195 491241898 /nfs/dbraw/zinc/24/18/98/491241898.db2.gz IIRMYOBVLZAXPI-NWANDNLSSA-N 2 2 366.487 0.640 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332986285 489254256 /nfs/dbraw/zinc/25/42/56/489254256.db2.gz VXFNAMXDDCLYEY-IRXDYDNUSA-N 2 2 368.522 0.774 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332986285 489254258 /nfs/dbraw/zinc/25/42/58/489254258.db2.gz VXFNAMXDDCLYEY-IRXDYDNUSA-N 2 2 368.522 0.774 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369664929 489260876 /nfs/dbraw/zinc/26/08/76/489260876.db2.gz QQRSRYNGDUOMAE-UHFFFAOYSA-N 2 2 350.467 0.946 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000297932899 489265059 /nfs/dbraw/zinc/26/50/59/489265059.db2.gz DTELJDRHQWLEAV-WCXIOVBPSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000297932899 489265062 /nfs/dbraw/zinc/26/50/62/489265062.db2.gz DTELJDRHQWLEAV-WCXIOVBPSA-N 2 2 359.474 0.988 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000369700108 489266658 /nfs/dbraw/zinc/26/66/58/489266658.db2.gz MGVZDLQSOMHKMY-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000297959918 489268975 /nfs/dbraw/zinc/26/89/75/489268975.db2.gz XCAYCTIHWJOZTR-SJLPKXTDSA-N 2 2 374.485 0.027 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000297959918 489268981 /nfs/dbraw/zinc/26/89/81/489268981.db2.gz XCAYCTIHWJOZTR-SJLPKXTDSA-N 2 2 374.485 0.027 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)NCC[NH+](C)CCOC)c1ccccc1 ZINC000283537510 489271776 /nfs/dbraw/zinc/27/17/76/489271776.db2.gz PUNBASSPGKBFNN-UHFFFAOYSA-N 2 2 364.490 0.714 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)NCC[NH+](C)CCOC)c1ccccc1 ZINC000283537510 489271780 /nfs/dbraw/zinc/27/17/80/489271780.db2.gz PUNBASSPGKBFNN-UHFFFAOYSA-N 2 2 364.490 0.714 20 0 FCADLP CC[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)CCOC)c1ccccc1 ZINC000283537510 489271784 /nfs/dbraw/zinc/27/17/84/489271784.db2.gz PUNBASSPGKBFNN-UHFFFAOYSA-N 2 2 364.490 0.714 20 0 FCADLP CC[NH+](CCCNC(=O)C(=O)NCC[N@@H+](C)CCOC)c1ccccc1 ZINC000283537510 489271787 /nfs/dbraw/zinc/27/17/87/489271787.db2.gz PUNBASSPGKBFNN-UHFFFAOYSA-N 2 2 364.490 0.714 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082655 489288197 /nfs/dbraw/zinc/28/81/97/489288197.db2.gz SZFIWPXFJQPRQH-HZPDHXFCSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082655 489288198 /nfs/dbraw/zinc/28/81/98/489288198.db2.gz SZFIWPXFJQPRQH-HZPDHXFCSA-N 2 2 359.474 0.529 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000563438955 491245975 /nfs/dbraw/zinc/24/59/75/491245975.db2.gz FGITYNSAUXFXTO-XZJROXQQSA-N 2 2 359.430 0.216 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000563438955 491245979 /nfs/dbraw/zinc/24/59/79/491245979.db2.gz FGITYNSAUXFXTO-XZJROXQQSA-N 2 2 359.430 0.216 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000283726092 489296562 /nfs/dbraw/zinc/29/65/62/489296562.db2.gz BSTMEKLDEVHUEO-AWEZNQCLSA-N 2 2 351.451 0.548 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000283726092 489296563 /nfs/dbraw/zinc/29/65/63/489296563.db2.gz BSTMEKLDEVHUEO-AWEZNQCLSA-N 2 2 351.451 0.548 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284242774 489304248 /nfs/dbraw/zinc/30/42/48/489304248.db2.gz FTTOGFKULWROGH-WBVHZDCISA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284242774 489304251 /nfs/dbraw/zinc/30/42/51/489304251.db2.gz FTTOGFKULWROGH-WBVHZDCISA-N 2 2 369.469 0.936 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243330 489304705 /nfs/dbraw/zinc/30/47/05/489304705.db2.gz LBKGURSTBAYIHY-HZPDHXFCSA-N 2 2 373.457 0.961 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243330 489304706 /nfs/dbraw/zinc/30/47/06/489304706.db2.gz LBKGURSTBAYIHY-HZPDHXFCSA-N 2 2 373.457 0.961 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000570529623 491247714 /nfs/dbraw/zinc/24/77/14/491247714.db2.gz XDLLZAHLWCRMIE-CABCVRRESA-N 2 2 354.414 0.863 20 0 FCADLP Cn1cc(N2CC[C@H](NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)cn1 ZINC000370077556 489314308 /nfs/dbraw/zinc/31/43/08/489314308.db2.gz MESOQSZPMSAUNN-HNNXBMFYSA-N 2 2 363.510 0.324 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000370241187 489333559 /nfs/dbraw/zinc/33/35/59/489333559.db2.gz AITFOMRCBVNHTI-KRWDZBQOSA-N 2 2 369.506 0.173 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000370241188 489333586 /nfs/dbraw/zinc/33/35/86/489333586.db2.gz AITFOMRCBVNHTI-QGZVFWFLSA-N 2 2 369.506 0.173 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)C2)CC1 ZINC000370294380 489340482 /nfs/dbraw/zinc/34/04/82/489340482.db2.gz OMVFJIDLDKIEHF-YCPHGPKFSA-N 2 2 365.478 0.295 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)C2)CC1 ZINC000370294380 489340484 /nfs/dbraw/zinc/34/04/84/489340484.db2.gz OMVFJIDLDKIEHF-YCPHGPKFSA-N 2 2 365.478 0.295 20 0 FCADLP C[C@@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[NH+]1CCCCCC1 ZINC000350677693 489344138 /nfs/dbraw/zinc/34/41/38/489344138.db2.gz DKDLLUNOBAXDRX-HNNXBMFYSA-N 2 2 365.478 0.998 20 0 FCADLP C[C@@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000350672680 489344144 /nfs/dbraw/zinc/34/41/44/489344144.db2.gz LJWSICLWKMPDSY-KFWWJZLASA-N 2 2 365.478 0.994 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618332 489345049 /nfs/dbraw/zinc/34/50/49/489345049.db2.gz LGLIZRVJYZZTEH-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618332 489345051 /nfs/dbraw/zinc/34/50/51/489345051.db2.gz LGLIZRVJYZZTEH-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000298705545 489354780 /nfs/dbraw/zinc/35/47/80/489354780.db2.gz IMZDMQLHBHXXNK-MRXNPFEDSA-N 2 2 369.893 0.923 20 0 FCADLP COc1cccc(COC[C@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000298722926 489356750 /nfs/dbraw/zinc/35/67/50/489356750.db2.gz OVNAHFKILVQCFR-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP COc1ccccc1COC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000298722979 489356838 /nfs/dbraw/zinc/35/68/38/489356838.db2.gz PBIFVRKVJSEGEW-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000286166757 489363264 /nfs/dbraw/zinc/36/32/64/489363264.db2.gz QQEUJFKENAJHSL-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)cc1 ZINC000286248366 489373380 /nfs/dbraw/zinc/37/33/80/489373380.db2.gz VCDFCISCSZEDIM-ZWKOTPCHSA-N 2 2 373.457 0.885 20 0 FCADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)cc1 ZINC000286248366 489373382 /nfs/dbraw/zinc/37/33/82/489373382.db2.gz VCDFCISCSZEDIM-ZWKOTPCHSA-N 2 2 373.457 0.885 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370557628 489374478 /nfs/dbraw/zinc/37/44/78/489374478.db2.gz LGQVPPJEXHIQFN-IXDOHACOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370560045 489374865 /nfs/dbraw/zinc/37/48/65/489374865.db2.gz WVYJDRZJEYAEDD-SQNIBIBYSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370560045 489374866 /nfs/dbraw/zinc/37/48/66/489374866.db2.gz WVYJDRZJEYAEDD-SQNIBIBYSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC000286288137 489376823 /nfs/dbraw/zinc/37/68/23/489376823.db2.gz PGYTWLVWBZLTFZ-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000286312988 489378314 /nfs/dbraw/zinc/37/83/14/489378314.db2.gz YAKPPBFLPLTPBR-INIZCTEOSA-N 2 2 350.438 0.442 20 0 FCADLP CC(C)([NH3+])c1nocc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000570581263 491251278 /nfs/dbraw/zinc/25/12/78/491251278.db2.gz MIAWHRRRFDLECD-INIZCTEOSA-N 2 2 354.476 0.806 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000563505390 491251650 /nfs/dbraw/zinc/25/16/50/491251650.db2.gz RQOGCKGSQPWOON-YLJYHZDGSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000563505390 491251652 /nfs/dbraw/zinc/25/16/52/491251652.db2.gz RQOGCKGSQPWOON-YLJYHZDGSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708208 489392872 /nfs/dbraw/zinc/39/28/72/489392872.db2.gz VWOVELKIAUIVBE-IRXDYDNUSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708208 489392874 /nfs/dbraw/zinc/39/28/74/489392874.db2.gz VWOVELKIAUIVBE-IRXDYDNUSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708206 489392987 /nfs/dbraw/zinc/39/29/87/489392987.db2.gz VWOVELKIAUIVBE-DLBZAZTESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708206 489392988 /nfs/dbraw/zinc/39/29/88/489392988.db2.gz VWOVELKIAUIVBE-DLBZAZTESA-N 2 2 362.518 0.920 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362703625 489393383 /nfs/dbraw/zinc/39/33/83/489393383.db2.gz QTNWJXBDUYLGOI-OALUTQOASA-N 2 2 358.486 0.566 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362703625 489393386 /nfs/dbraw/zinc/39/33/86/489393386.db2.gz QTNWJXBDUYLGOI-OALUTQOASA-N 2 2 358.486 0.566 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000286519810 489400478 /nfs/dbraw/zinc/40/04/78/489400478.db2.gz BMVSGONCSBUIMM-UHFFFAOYSA-N 2 2 361.421 0.766 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000362896047 489403591 /nfs/dbraw/zinc/40/35/91/489403591.db2.gz GTSVCESKVJSVKE-SQNIBIBYSA-N 2 2 367.538 0.111 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@](C)(C[NH3+])C3CC3)ccn2)CC1 ZINC000570615898 491253185 /nfs/dbraw/zinc/25/31/85/491253185.db2.gz AEPOJZGRSVROCN-GOSISDBHSA-N 2 2 360.462 0.718 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363006503 489410623 /nfs/dbraw/zinc/41/06/23/489410623.db2.gz LDPVZHFBRYZSGJ-NVXWUHKLSA-N 2 2 372.535 0.214 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363070349 489419107 /nfs/dbraw/zinc/41/91/07/489419107.db2.gz NLHHHYYBXCZZBM-QGZVFWFLSA-N 2 2 374.551 0.414 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000286743364 489424085 /nfs/dbraw/zinc/42/40/85/489424085.db2.gz GKOVARYSMUQZKG-ZNMIVQPWSA-N 2 2 363.462 0.137 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000286743364 489424087 /nfs/dbraw/zinc/42/40/87/489424087.db2.gz GKOVARYSMUQZKG-ZNMIVQPWSA-N 2 2 363.462 0.137 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCn1cc[nH+]c1 ZINC000299532759 489452666 /nfs/dbraw/zinc/45/26/66/489452666.db2.gz SREGDCPBDBBFHB-UHFFFAOYSA-N 3 2 357.462 0.790 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617446 491258801 /nfs/dbraw/zinc/25/88/01/491258801.db2.gz DRRPTNAXOUCQED-YRXWBPOGSA-N 3 2 356.555 0.320 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617446 491258803 /nfs/dbraw/zinc/25/88/03/491258803.db2.gz DRRPTNAXOUCQED-YRXWBPOGSA-N 3 2 356.555 0.320 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000363443112 489467697 /nfs/dbraw/zinc/46/76/97/489467697.db2.gz CBMUGXNXIDMHJV-WMZOPIPTSA-N 2 2 351.539 0.996 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296045 489474542 /nfs/dbraw/zinc/47/45/42/489474542.db2.gz WQONDMGLBLNWMA-UTUOFQBUSA-N 2 2 366.384 0.558 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296045 489474543 /nfs/dbraw/zinc/47/45/43/489474543.db2.gz WQONDMGLBLNWMA-UTUOFQBUSA-N 2 2 366.384 0.558 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371428885 489484427 /nfs/dbraw/zinc/48/44/27/489484427.db2.gz OIKJYLANHQZGAR-LJQANCHMSA-N 2 2 361.486 0.708 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371428885 489484428 /nfs/dbraw/zinc/48/44/28/489484428.db2.gz OIKJYLANHQZGAR-LJQANCHMSA-N 2 2 361.486 0.708 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423092952 489492676 /nfs/dbraw/zinc/49/26/76/489492676.db2.gz DZEKYAOGXLJMPM-UKRRQHHQSA-N 2 2 359.467 0.803 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000415308600 489514798 /nfs/dbraw/zinc/51/47/98/489514798.db2.gz ZCDQCWDXIWBAKT-PBHICJAKSA-N 2 2 360.458 0.839 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000415448297 489521660 /nfs/dbraw/zinc/52/16/60/489521660.db2.gz XVKOHKCRKDDWDM-INIZCTEOSA-N 2 2 373.501 0.583 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000415454392 489522365 /nfs/dbraw/zinc/52/23/65/489522365.db2.gz NZNKNABDVDFMCK-GOSISDBHSA-N 2 2 373.501 0.616 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000415482973 489524417 /nfs/dbraw/zinc/52/44/17/489524417.db2.gz MCOMXEJFJXKJDX-QGZVFWFLSA-N 2 2 359.474 0.322 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415493836 489524955 /nfs/dbraw/zinc/52/49/55/489524955.db2.gz MGKMZQDMZFVLEP-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371986332 489531411 /nfs/dbraw/zinc/53/14/11/489531411.db2.gz IHZIWTGZYZLKNV-MSOLQXFVSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1)[NH+]1CCOCC1 ZINC000415619385 489537833 /nfs/dbraw/zinc/53/78/33/489537833.db2.gz YPVUWZMRVNTDIS-LBPRGKRZSA-N 2 2 370.400 0.729 20 0 FCADLP COC[C@@]1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]1 ZINC000415701435 489542199 /nfs/dbraw/zinc/54/21/99/489542199.db2.gz BLWCMKZSCFNEQI-SFHVURJKSA-N 2 2 357.414 0.696 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCCC[C@H]1C ZINC000426029381 489553464 /nfs/dbraw/zinc/55/34/64/489553464.db2.gz KFGSQPAFQLHGNQ-HUUCEWRRSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCCC[C@H]1C ZINC000426029381 489553466 /nfs/dbraw/zinc/55/34/66/489553466.db2.gz KFGSQPAFQLHGNQ-HUUCEWRRSA-N 2 2 353.511 0.840 20 0 FCADLP Cc1cccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)c1 ZINC000372312362 489569756 /nfs/dbraw/zinc/56/97/56/489569756.db2.gz WFIXUFFERHHICF-VQTJNVASSA-N 2 2 372.513 0.874 20 0 FCADLP CC(C)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000372484818 489589364 /nfs/dbraw/zinc/58/93/64/489589364.db2.gz NGUGJWCWSYTCNM-INIZCTEOSA-N 2 2 365.522 0.665 20 0 FCADLP CC(C)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000372484818 489589367 /nfs/dbraw/zinc/58/93/67/489589367.db2.gz NGUGJWCWSYTCNM-INIZCTEOSA-N 2 2 365.522 0.665 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000372586933 489604517 /nfs/dbraw/zinc/60/45/17/489604517.db2.gz UKJUGLOQXHMXOY-QGZVFWFLSA-N 2 2 359.536 0.989 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689847 491266271 /nfs/dbraw/zinc/26/62/71/491266271.db2.gz JUMSZYPIKXJOGZ-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689847 491266273 /nfs/dbraw/zinc/26/62/73/491266273.db2.gz JUMSZYPIKXJOGZ-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555689847 491266275 /nfs/dbraw/zinc/26/62/75/491266275.db2.gz JUMSZYPIKXJOGZ-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555689847 491266278 /nfs/dbraw/zinc/26/62/78/491266278.db2.gz JUMSZYPIKXJOGZ-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428034345 489633481 /nfs/dbraw/zinc/63/34/81/489633481.db2.gz NZUVBYBRHWCQIM-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428034345 489633486 /nfs/dbraw/zinc/63/34/86/489633486.db2.gz NZUVBYBRHWCQIM-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457061704 489633916 /nfs/dbraw/zinc/63/39/16/489633916.db2.gz YUVHDUXPLGXRRD-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428044715 489634063 /nfs/dbraw/zinc/63/40/63/489634063.db2.gz UUEXQWJRGHYEJY-PMPSAXMXSA-N 2 2 360.458 0.636 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428044715 489634067 /nfs/dbraw/zinc/63/40/67/489634067.db2.gz UUEXQWJRGHYEJY-PMPSAXMXSA-N 2 2 360.458 0.636 20 0 FCADLP O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000428039743 489634248 /nfs/dbraw/zinc/63/42/48/489634248.db2.gz GJNNSUPRLIXPHK-WOJBJXKFSA-N 2 2 372.513 0.819 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000372775862 489635172 /nfs/dbraw/zinc/63/51/72/489635172.db2.gz JUYARAOOUPLMPI-AEFFLSMTSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000372775862 489635174 /nfs/dbraw/zinc/63/51/74/489635174.db2.gz JUYARAOOUPLMPI-AEFFLSMTSA-N 2 2 351.491 0.811 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c[nH+]1 ZINC000417013149 489638651 /nfs/dbraw/zinc/63/86/51/489638651.db2.gz YDJQDBJBALCSLR-HNNXBMFYSA-N 2 2 362.478 0.677 20 0 FCADLP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417158120 489643994 /nfs/dbraw/zinc/64/39/94/489643994.db2.gz NLJBATXPISNVPH-INIZCTEOSA-N 2 2 361.494 0.430 20 0 FCADLP C[C@H](C[NH3+])N(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417298291 489646855 /nfs/dbraw/zinc/64/68/55/489646855.db2.gz PSLOOPKLEZYJDZ-OAHLLOKOSA-N 2 2 350.463 0.886 20 0 FCADLP C[NH2+]CCN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417292629 489646863 /nfs/dbraw/zinc/64/68/63/489646863.db2.gz CVOKBWVJRLIQLQ-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417369300 489650411 /nfs/dbraw/zinc/65/04/11/489650411.db2.gz QPBLQRCBZLSQDO-HZPDHXFCSA-N 2 2 374.489 0.689 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457618311 489651286 /nfs/dbraw/zinc/65/12/86/489651286.db2.gz ZWEXKCJZCPKYNM-SJORKVTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457618311 489651288 /nfs/dbraw/zinc/65/12/88/489651288.db2.gz ZWEXKCJZCPKYNM-SJORKVTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457609521 489651683 /nfs/dbraw/zinc/65/16/83/489651683.db2.gz UEABTILFUMHWIN-BBWFWOEESA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457609521 489651685 /nfs/dbraw/zinc/65/16/85/489651685.db2.gz UEABTILFUMHWIN-BBWFWOEESA-N 2 2 356.511 0.440 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604721 489659412 /nfs/dbraw/zinc/65/94/12/489659412.db2.gz VGOCVNTTYNWYSO-MSOLQXFVSA-N 2 2 362.474 0.218 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417637584 489660424 /nfs/dbraw/zinc/66/04/24/489660424.db2.gz ZCXHQZZCJIYPSS-HNNXBMFYSA-N 2 2 353.511 0.747 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000373110530 489669675 /nfs/dbraw/zinc/66/96/75/489669675.db2.gz DDJXJZQZQLGVRL-MRXNPFEDSA-N 2 2 357.495 0.077 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000373115161 489670138 /nfs/dbraw/zinc/67/01/38/489670138.db2.gz IAMINQHJHVVFLR-NSHDSACASA-N 2 2 357.418 0.073 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000373115161 489670140 /nfs/dbraw/zinc/67/01/40/489670140.db2.gz IAMINQHJHVVFLR-NSHDSACASA-N 2 2 357.418 0.073 20 0 FCADLP CCC[N@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000429127349 489674030 /nfs/dbraw/zinc/67/40/30/489674030.db2.gz LNCJWPUUYRTPGP-UHFFFAOYSA-N 2 2 354.495 0.335 20 0 FCADLP CCC[N@@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000429127349 489674031 /nfs/dbraw/zinc/67/40/31/489674031.db2.gz LNCJWPUUYRTPGP-UHFFFAOYSA-N 2 2 354.495 0.335 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000555753731 491270501 /nfs/dbraw/zinc/27/05/01/491270501.db2.gz YUOCLRJRLDSRHW-UHFFFAOYSA-N 2 2 361.490 0.870 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C(C)C ZINC000429372752 489683837 /nfs/dbraw/zinc/68/38/37/489683837.db2.gz OFDBXYMOKKMWPD-RDJZCZTQSA-N 2 2 369.506 0.733 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C(C)C ZINC000429372752 489683839 /nfs/dbraw/zinc/68/38/39/489683839.db2.gz OFDBXYMOKKMWPD-RDJZCZTQSA-N 2 2 369.506 0.733 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000418380918 489694961 /nfs/dbraw/zinc/69/49/61/489694961.db2.gz KKKROHOOXBVNEQ-FUHWJXTLSA-N 2 2 364.490 0.737 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000418377836 489695024 /nfs/dbraw/zinc/69/50/24/489695024.db2.gz ZPDFILDZDNAKLC-IRXDYDNUSA-N 2 2 364.490 0.609 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418398480 489696478 /nfs/dbraw/zinc/69/64/78/489696478.db2.gz FEGVUUVYRADQLC-HOTGVXAUSA-N 2 2 353.511 0.698 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418408027 489696650 /nfs/dbraw/zinc/69/66/50/489696650.db2.gz MFMRMAFMUNXBSV-HOTGVXAUSA-N 2 2 353.511 0.700 20 0 FCADLP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC([NH3+])CC3)CC2)C1 ZINC000429701769 489697583 /nfs/dbraw/zinc/69/75/83/489697583.db2.gz XCMVGJSUIGLIRP-OAHLLOKOSA-N 2 2 350.507 0.907 20 0 FCADLP O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489256968 489703740 /nfs/dbraw/zinc/70/37/40/489703740.db2.gz PRLIWTPARFMUCT-NRFANRHFSA-N 2 2 373.497 0.982 20 0 FCADLP O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489256968 489703745 /nfs/dbraw/zinc/70/37/45/489703745.db2.gz PRLIWTPARFMUCT-NRFANRHFSA-N 2 2 373.497 0.982 20 0 FCADLP COCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCO[C@H]1C ZINC000489433867 489711232 /nfs/dbraw/zinc/71/12/32/489711232.db2.gz JJLMVTITMGQNFO-RCCFBDPRSA-N 2 2 371.522 0.585 20 0 FCADLP COCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCO[C@H]1C ZINC000489433867 489711235 /nfs/dbraw/zinc/71/12/35/489711235.db2.gz JJLMVTITMGQNFO-RCCFBDPRSA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCO[C@H]1C ZINC000489433867 489711238 /nfs/dbraw/zinc/71/12/38/489711238.db2.gz JJLMVTITMGQNFO-RCCFBDPRSA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCO[C@H]1C ZINC000489433867 489711241 /nfs/dbraw/zinc/71/12/41/489711241.db2.gz JJLMVTITMGQNFO-RCCFBDPRSA-N 2 2 371.522 0.585 20 0 FCADLP C[C@](O)(CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)C[NH+]1CCOCC1 ZINC000418633351 489713818 /nfs/dbraw/zinc/71/38/18/489713818.db2.gz ICNFQDGYOILGKZ-HKUYNNGSSA-N 2 2 362.474 0.256 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000430063651 489718776 /nfs/dbraw/zinc/71/87/76/489718776.db2.gz DXLNAHSTLYRHCG-IRXDYDNUSA-N 2 2 368.441 0.037 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418731861 489720493 /nfs/dbraw/zinc/72/04/93/489720493.db2.gz TZSPUEVPYPVULE-JKSUJKDBSA-N 2 2 353.511 0.700 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000555804398 491274116 /nfs/dbraw/zinc/27/41/16/491274116.db2.gz VWZMRDQNOIYJQV-GASCZTMLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000555804398 491274119 /nfs/dbraw/zinc/27/41/19/491274119.db2.gz VWZMRDQNOIYJQV-GASCZTMLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000555804398 491274120 /nfs/dbraw/zinc/27/41/20/491274120.db2.gz VWZMRDQNOIYJQV-GASCZTMLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000555804398 491274123 /nfs/dbraw/zinc/27/41/23/491274123.db2.gz VWZMRDQNOIYJQV-GASCZTMLSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000555802197 491274365 /nfs/dbraw/zinc/27/43/65/491274365.db2.gz BLDQCGMIHFLZJM-GASCZTMLSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000555802197 491274367 /nfs/dbraw/zinc/27/43/67/491274367.db2.gz BLDQCGMIHFLZJM-GASCZTMLSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000555802197 491274368 /nfs/dbraw/zinc/27/43/68/491274368.db2.gz BLDQCGMIHFLZJM-GASCZTMLSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000555802197 491274370 /nfs/dbraw/zinc/27/43/70/491274370.db2.gz BLDQCGMIHFLZJM-GASCZTMLSA-N 2 2 368.522 0.591 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570929332 491274396 /nfs/dbraw/zinc/27/43/96/491274396.db2.gz DKXZAZVKABEQAZ-OAHLLOKOSA-N 2 2 370.457 0.587 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570929332 491274397 /nfs/dbraw/zinc/27/43/97/491274397.db2.gz DKXZAZVKABEQAZ-OAHLLOKOSA-N 2 2 370.457 0.587 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000376036686 489729763 /nfs/dbraw/zinc/72/97/63/489729763.db2.gz ZGLMAHUSYYCMJZ-HUUCEWRRSA-N 2 2 364.494 1.381 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC1 ZINC000418799422 489730030 /nfs/dbraw/zinc/73/00/30/489730030.db2.gz HXMCRNPRBHWNNI-QGZVFWFLSA-N 2 2 374.485 0.044 20 0 FCADLP CN1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1=O ZINC000430379500 489733485 /nfs/dbraw/zinc/73/34/85/489733485.db2.gz UCBKPKOAXFSIRE-IRXDYDNUSA-N 2 2 355.442 0.538 20 0 FCADLP COc1ccc(CNC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000489934914 489735867 /nfs/dbraw/zinc/73/58/67/489735867.db2.gz MZQUGEGCHFPCMY-INIZCTEOSA-N 2 2 362.474 0.300 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489942446 489736548 /nfs/dbraw/zinc/73/65/48/489736548.db2.gz OUJIOTMKNUIAGF-NUJGCVRESA-N 2 2 358.486 0.994 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489959968 489737504 /nfs/dbraw/zinc/73/75/04/489737504.db2.gz WTZJHDQWRZOPPP-ZBFHGGJFSA-N 2 2 360.458 0.764 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418831580 489744403 /nfs/dbraw/zinc/74/44/03/489744403.db2.gz KYJJYGJTRJWOSC-QZTJIDSGSA-N 2 2 374.485 0.343 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418831580 489744407 /nfs/dbraw/zinc/74/44/07/489744407.db2.gz KYJJYGJTRJWOSC-QZTJIDSGSA-N 2 2 374.485 0.343 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418832202 489744831 /nfs/dbraw/zinc/74/48/31/489744831.db2.gz LWUPDKFXFVJMHA-BPQIPLTHSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418832202 489744836 /nfs/dbraw/zinc/74/48/36/489744836.db2.gz LWUPDKFXFVJMHA-BPQIPLTHSA-N 2 2 374.485 0.199 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835525 489746796 /nfs/dbraw/zinc/74/67/96/489746796.db2.gz PWNFFKCXEYLOPX-ROUUACIJSA-N 2 2 374.485 0.072 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835525 489746802 /nfs/dbraw/zinc/74/68/02/489746802.db2.gz PWNFFKCXEYLOPX-ROUUACIJSA-N 2 2 374.485 0.072 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836523 489748123 /nfs/dbraw/zinc/74/81/23/489748123.db2.gz RKCAYYKXDOBDAQ-KBAYOESNSA-N 2 2 374.485 0.260 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836523 489748127 /nfs/dbraw/zinc/74/81/27/489748127.db2.gz RKCAYYKXDOBDAQ-KBAYOESNSA-N 2 2 374.485 0.260 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)S(C)(=O)=O ZINC000430584188 489748369 /nfs/dbraw/zinc/74/83/69/489748369.db2.gz UILDHKZQIQAQKZ-HNNXBMFYSA-N 2 2 350.529 0.126 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418845717 489753620 /nfs/dbraw/zinc/75/36/20/489753620.db2.gz PDMGHMWLFVCUCV-HOTGVXAUSA-N 2 2 353.426 0.556 20 0 FCADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612343 489753902 /nfs/dbraw/zinc/75/39/02/489753902.db2.gz SBHWNADYKOBKHG-LBPRGKRZSA-N 2 2 365.409 0.226 20 0 FCADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612343 489753903 /nfs/dbraw/zinc/75/39/03/489753903.db2.gz SBHWNADYKOBKHG-LBPRGKRZSA-N 2 2 365.409 0.226 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000376560943 489754794 /nfs/dbraw/zinc/75/47/94/489754794.db2.gz GGZBJCKOGQXWKC-HOTGVXAUSA-N 2 2 352.479 0.356 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615725 489754769 /nfs/dbraw/zinc/75/47/69/489754769.db2.gz CZYNAIZNJONWJB-SWLSCSKDSA-N 2 2 366.412 0.857 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615725 489754772 /nfs/dbraw/zinc/75/47/72/489754772.db2.gz CZYNAIZNJONWJB-SWLSCSKDSA-N 2 2 366.412 0.857 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430619489 489755115 /nfs/dbraw/zinc/75/51/15/489755115.db2.gz BJCKSNGBLIFUDQ-ZDUSSCGKSA-N 2 2 361.446 0.336 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430619489 489755120 /nfs/dbraw/zinc/75/51/20/489755120.db2.gz BJCKSNGBLIFUDQ-ZDUSSCGKSA-N 2 2 361.446 0.336 20 0 FCADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620038 489755854 /nfs/dbraw/zinc/75/58/54/489755854.db2.gz HCINGQCRBGAUIP-AWEZNQCLSA-N 2 2 350.438 0.536 20 0 FCADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620038 489755856 /nfs/dbraw/zinc/75/58/56/489755856.db2.gz HCINGQCRBGAUIP-AWEZNQCLSA-N 2 2 350.438 0.536 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC000459810916 489756122 /nfs/dbraw/zinc/75/61/22/489756122.db2.gz JNAGTWXBAVHIPA-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1CCOC ZINC000459810916 489756127 /nfs/dbraw/zinc/75/61/27/489756127.db2.gz JNAGTWXBAVHIPA-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCCOc1cccc(CNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430630277 489757397 /nfs/dbraw/zinc/75/73/97/489757397.db2.gz RXJAOQQRNCIUKY-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP CCCOc1cccc(CNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430630277 489757399 /nfs/dbraw/zinc/75/73/99/489757399.db2.gz RXJAOQQRNCIUKY-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000430626742 489757456 /nfs/dbraw/zinc/75/74/56/489757456.db2.gz SDNILMQBSHPYEH-OAHLLOKOSA-N 2 2 350.850 0.809 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000430626742 489757461 /nfs/dbraw/zinc/75/74/61/489757461.db2.gz SDNILMQBSHPYEH-OAHLLOKOSA-N 2 2 350.850 0.809 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430626095 489757877 /nfs/dbraw/zinc/75/78/77/489757877.db2.gz QZXJPHDVODCDPE-RYUDHWBXSA-N 2 2 354.476 0.323 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CS(C)(=O)=O ZINC000430683365 489764346 /nfs/dbraw/zinc/76/43/46/489764346.db2.gz WLVQKBVRTWPKHK-UHFFFAOYSA-N 2 2 359.536 0.686 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706400 489766131 /nfs/dbraw/zinc/76/61/31/489766131.db2.gz USVSZDMDAZRDMV-YVSFHVDLSA-N 2 2 368.522 0.483 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430736125 489768171 /nfs/dbraw/zinc/76/81/71/489768171.db2.gz ZXYOJVWVYDQYHV-CVEARBPZSA-N 2 2 366.506 0.062 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCNc1cnccn1 ZINC000430746053 489768562 /nfs/dbraw/zinc/76/85/62/489768562.db2.gz AQYFRCRQECFFJX-KRWDZBQOSA-N 2 2 365.441 0.820 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000430882617 489775068 /nfs/dbraw/zinc/77/50/68/489775068.db2.gz MMYNLNNNMJFXAK-UHFFFAOYSA-N 2 2 359.474 0.919 20 0 FCADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000418886356 489775529 /nfs/dbraw/zinc/77/55/29/489775529.db2.gz KWMGSUWUKBBQHZ-IAGOWNOFSA-N 2 2 371.441 0.270 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000430926127 489776963 /nfs/dbraw/zinc/77/69/63/489776963.db2.gz NGNKHKXIADDUQH-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000430926127 489776967 /nfs/dbraw/zinc/77/69/67/489776967.db2.gz NGNKHKXIADDUQH-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000430930368 489778117 /nfs/dbraw/zinc/77/81/17/489778117.db2.gz SRIMIJAOVASXBE-OAHLLOKOSA-N 2 2 350.467 0.563 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430927927 489778404 /nfs/dbraw/zinc/77/84/04/489778404.db2.gz SAPZUMASFIEDPX-AVGNSLFASA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430927927 489778407 /nfs/dbraw/zinc/77/84/07/489778407.db2.gz SAPZUMASFIEDPX-AVGNSLFASA-N 2 2 354.476 0.720 20 0 FCADLP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933539 489779960 /nfs/dbraw/zinc/77/99/60/489779960.db2.gz IPEFCPDFPJEEBL-UWVGGRQHSA-N 2 2 358.364 0.828 20 0 FCADLP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933539 489779965 /nfs/dbraw/zinc/77/99/65/489779965.db2.gz IPEFCPDFPJEEBL-UWVGGRQHSA-N 2 2 358.364 0.828 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430946676 489780553 /nfs/dbraw/zinc/78/05/53/489780553.db2.gz BKYJOEAJVBBIEL-QAPCUYQASA-N 2 2 374.485 0.444 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430946676 489780557 /nfs/dbraw/zinc/78/05/57/489780557.db2.gz BKYJOEAJVBBIEL-QAPCUYQASA-N 2 2 374.485 0.444 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[NH2+]1 ZINC000418897638 489781282 /nfs/dbraw/zinc/78/12/82/489781282.db2.gz HDRHNZZBCROLEG-UHFFFAOYSA-N 2 2 355.442 0.758 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000430965090 489782428 /nfs/dbraw/zinc/78/24/28/489782428.db2.gz KBJFBERZJAKLRP-IUODEOHRSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000430965090 489782431 /nfs/dbraw/zinc/78/24/31/489782431.db2.gz KBJFBERZJAKLRP-IUODEOHRSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970258 489783019 /nfs/dbraw/zinc/78/30/19/489783019.db2.gz GUZLWMCSKVKCFE-WFGGJUAMSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970258 489783023 /nfs/dbraw/zinc/78/30/23/489783023.db2.gz GUZLWMCSKVKCFE-WFGGJUAMSA-N 2 2 368.503 0.569 20 0 FCADLP [NH3+]C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000431030769 489785458 /nfs/dbraw/zinc/78/54/58/489785458.db2.gz QWNSLZZGJUNSMJ-QGZVFWFLSA-N 2 2 354.458 0.457 20 0 FCADLP CCC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC[NH2+]CC1 ZINC000431085793 489787382 /nfs/dbraw/zinc/78/73/82/489787382.db2.gz LDNOGQQMGKGYSW-UHFFFAOYSA-N 2 2 354.476 0.737 20 0 FCADLP CCC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC[NH2+]CC1 ZINC000431085793 489787386 /nfs/dbraw/zinc/78/73/86/489787386.db2.gz LDNOGQQMGKGYSW-UHFFFAOYSA-N 2 2 354.476 0.737 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000459913477 489789971 /nfs/dbraw/zinc/78/99/71/489789971.db2.gz IXMGHLNDNHZRCC-UHFFFAOYSA-N 2 2 374.489 0.141 20 0 FCADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916159 489790264 /nfs/dbraw/zinc/79/02/64/489790264.db2.gz WHXUQSQXRZGMME-WQVCFCJDSA-N 2 2 366.412 0.776 20 0 FCADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000418916159 489790268 /nfs/dbraw/zinc/79/02/68/489790268.db2.gz WHXUQSQXRZGMME-WQVCFCJDSA-N 2 2 366.412 0.776 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000474853419 489790454 /nfs/dbraw/zinc/79/04/54/489790454.db2.gz UEQDNSXEUSVLFP-OAHLLOKOSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000474853419 489790457 /nfs/dbraw/zinc/79/04/57/489790457.db2.gz UEQDNSXEUSVLFP-OAHLLOKOSA-N 2 2 374.551 0.621 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000459921227 489793980 /nfs/dbraw/zinc/79/39/80/489793980.db2.gz PBASJVDVQRZUFE-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H](C)[NH2+]1 ZINC000418932732 489794944 /nfs/dbraw/zinc/79/49/44/489794944.db2.gz ADZLMLCBMQAJHF-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H](C)[NH2+]1 ZINC000418932732 489794947 /nfs/dbraw/zinc/79/49/47/489794947.db2.gz ADZLMLCBMQAJHF-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418937799 489797647 /nfs/dbraw/zinc/79/76/47/489797647.db2.gz GHQKSSJVKHERRF-AWEZNQCLSA-N 2 2 364.515 0.680 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418937799 489797649 /nfs/dbraw/zinc/79/76/49/489797649.db2.gz GHQKSSJVKHERRF-AWEZNQCLSA-N 2 2 364.515 0.680 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H]1Cc1ccccc1 ZINC000459931284 489798358 /nfs/dbraw/zinc/79/83/58/489798358.db2.gz IJJDVAUKAHIFTB-LJQANCHMSA-N 2 2 370.497 0.678 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H]1Cc1ccccc1 ZINC000459931284 489798362 /nfs/dbraw/zinc/79/83/62/489798362.db2.gz IJJDVAUKAHIFTB-LJQANCHMSA-N 2 2 370.497 0.678 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945549 489799170 /nfs/dbraw/zinc/79/91/70/489799170.db2.gz PWRDRPUWWBXTHV-JSGCOSHPSA-N 2 2 350.488 0.479 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945549 489799173 /nfs/dbraw/zinc/79/91/73/489799173.db2.gz PWRDRPUWWBXTHV-JSGCOSHPSA-N 2 2 350.488 0.479 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC000459939496 489800410 /nfs/dbraw/zinc/80/04/10/489800410.db2.gz VSCPPENOCGTSOS-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC000459939496 489800415 /nfs/dbraw/zinc/80/04/15/489800415.db2.gz VSCPPENOCGTSOS-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000459984941 489809362 /nfs/dbraw/zinc/80/93/62/489809362.db2.gz DKULGQVHHSEQGD-NVXWUHKLSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000459984941 489809365 /nfs/dbraw/zinc/80/93/65/489809365.db2.gz DKULGQVHHSEQGD-NVXWUHKLSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000459983076 489809802 /nfs/dbraw/zinc/80/98/02/489809802.db2.gz FMTNCMOJKPLAJV-LSDHHAIUSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000459983076 489809804 /nfs/dbraw/zinc/80/98/04/489809804.db2.gz FMTNCMOJKPLAJV-LSDHHAIUSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000459991475 489810314 /nfs/dbraw/zinc/81/03/14/489810314.db2.gz OOOJFZPGFYRCOP-DOTOQJQBSA-N 2 2 359.474 0.847 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000459992637 489810518 /nfs/dbraw/zinc/81/05/18/489810518.db2.gz QHZMRDOLKUEBRU-INIZCTEOSA-N 2 2 374.489 0.169 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000459994674 489811583 /nfs/dbraw/zinc/81/15/83/489811583.db2.gz MIJYXDHUFHVVCY-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000459994674 489811586 /nfs/dbraw/zinc/81/15/86/489811586.db2.gz MIJYXDHUFHVVCY-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459994674 489811592 /nfs/dbraw/zinc/81/15/92/489811592.db2.gz MIJYXDHUFHVVCY-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000459994674 489811597 /nfs/dbraw/zinc/81/15/97/489811597.db2.gz MIJYXDHUFHVVCY-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000460011448 489817248 /nfs/dbraw/zinc/81/72/48/489817248.db2.gz QGNCAERLTADKJA-QGZVFWFLSA-N 2 2 373.501 0.981 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000419016073 489818937 /nfs/dbraw/zinc/81/89/37/489818937.db2.gz LZVJSJOBUOBWLL-AWEZNQCLSA-N 2 2 361.833 0.711 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@H]1[NH3+] ZINC000419016907 489819420 /nfs/dbraw/zinc/81/94/20/489819420.db2.gz AHTKUHIORPEGQQ-SWLSCSKDSA-N 2 2 359.405 0.823 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H](C)C[NH3+])[nH+]c12 ZINC000419044116 489832300 /nfs/dbraw/zinc/83/23/00/489832300.db2.gz PBGMDKOZDUUYLK-SECBINFHSA-N 2 2 368.235 0.485 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC000419055459 489837457 /nfs/dbraw/zinc/83/74/57/489837457.db2.gz BCQGHPUJSLHEPK-IOASZLSFSA-N 2 2 373.432 0.974 20 0 FCADLP COc1cc(CS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sn1 ZINC000641625400 493267014 /nfs/dbraw/zinc/26/70/14/493267014.db2.gz WBZFHXOINUBKLL-LBPRGKRZSA-N 2 2 364.537 0.843 20 0 FCADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067966 489840812 /nfs/dbraw/zinc/84/08/12/489840812.db2.gz YHDMFLUNGXAJIX-IRXDYDNUSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067966 489840817 /nfs/dbraw/zinc/84/08/17/489840817.db2.gz YHDMFLUNGXAJIX-IRXDYDNUSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419067470 489842426 /nfs/dbraw/zinc/84/24/26/489842426.db2.gz DOKHFXXABZBRNA-JKSUJKDBSA-N 2 2 373.432 0.975 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419067467 489842484 /nfs/dbraw/zinc/84/24/84/489842484.db2.gz DOKHFXXABZBRNA-CVEARBPZSA-N 2 2 373.432 0.975 20 0 FCADLP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460075074 489844051 /nfs/dbraw/zinc/84/40/51/489844051.db2.gz KLIXMQSBFBXFAT-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419069679 489844767 /nfs/dbraw/zinc/84/47/67/489844767.db2.gz GHUOEISQPKROQC-HUUCEWRRSA-N 2 2 359.405 0.715 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000571051156 491282696 /nfs/dbraw/zinc/28/26/96/491282696.db2.gz ZVQWLPLFVFPJHR-UHFFFAOYSA-N 2 2 369.469 0.754 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000460085525 489848205 /nfs/dbraw/zinc/84/82/05/489848205.db2.gz YROVHWTWYVYCLJ-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000460085525 489848208 /nfs/dbraw/zinc/84/82/08/489848208.db2.gz YROVHWTWYVYCLJ-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000460085525 489848210 /nfs/dbraw/zinc/84/82/10/489848210.db2.gz YROVHWTWYVYCLJ-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000460085525 489848214 /nfs/dbraw/zinc/84/82/14/489848214.db2.gz YROVHWTWYVYCLJ-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419082045 489848881 /nfs/dbraw/zinc/84/88/81/489848881.db2.gz PFIVNXFOERGGOA-HZPDHXFCSA-N 2 2 373.432 0.975 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000419083041 489850486 /nfs/dbraw/zinc/85/04/86/489850486.db2.gz JUMVYCNULFXLKQ-XGUBFFRZSA-N 2 2 354.495 0.199 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000377094599 489851238 /nfs/dbraw/zinc/85/12/38/489851238.db2.gz ORGYUAYLZPSZIF-RDJZCZTQSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000377094599 489851239 /nfs/dbraw/zinc/85/12/39/489851239.db2.gz ORGYUAYLZPSZIF-RDJZCZTQSA-N 2 2 367.490 0.726 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000460251793 489857544 /nfs/dbraw/zinc/85/75/44/489857544.db2.gz MMJJIKSHLRKVKF-GOSISDBHSA-N 2 2 369.554 0.766 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000460251793 489857549 /nfs/dbraw/zinc/85/75/49/489857549.db2.gz MMJJIKSHLRKVKF-GOSISDBHSA-N 2 2 369.554 0.766 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419108826 489857884 /nfs/dbraw/zinc/85/78/84/489857884.db2.gz AAKWSSYPSOYTRZ-IYBDPMFKSA-N 2 2 357.458 0.366 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493871697 489859353 /nfs/dbraw/zinc/85/93/53/489859353.db2.gz IQWCBAQAHFRLHU-SJORKVTESA-N 2 2 354.495 0.242 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493871697 489859359 /nfs/dbraw/zinc/85/93/59/489859359.db2.gz IQWCBAQAHFRLHU-SJORKVTESA-N 2 2 354.495 0.242 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419115376 489861797 /nfs/dbraw/zinc/86/17/97/489861797.db2.gz JKIXFHRTQILPMM-YESZJQIVSA-N 2 2 368.522 0.435 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419116782 489862940 /nfs/dbraw/zinc/86/29/40/489862940.db2.gz LKTOKYNNCPQUIZ-GDBMZVCRSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419120542 489865263 /nfs/dbraw/zinc/86/52/63/489865263.db2.gz QPMIIOJHHSELMP-YESZJQIVSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H](C)C[NH2+]1 ZINC000419122429 489866061 /nfs/dbraw/zinc/86/60/61/489866061.db2.gz UBECEJCDMINOES-CABCVRRESA-N 2 2 359.474 0.897 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCSC1 ZINC000460471174 489867276 /nfs/dbraw/zinc/86/72/76/489867276.db2.gz UAZWFWOTUCWRND-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000419122766 489867468 /nfs/dbraw/zinc/86/74/68/489867468.db2.gz UNSUXNPSRKZAFC-GDBMZVCRSA-N 2 2 354.495 0.060 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660180334 493333106 /nfs/dbraw/zinc/33/31/06/493333106.db2.gz RSGLOZYIEIECIN-QGZVFWFLSA-N 2 2 359.536 0.750 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660180334 493333109 /nfs/dbraw/zinc/33/31/09/493333109.db2.gz RSGLOZYIEIECIN-QGZVFWFLSA-N 2 2 359.536 0.750 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419983041 489871967 /nfs/dbraw/zinc/87/19/67/489871967.db2.gz UALYNHFVHMBQRN-KRWDZBQOSA-N 2 2 364.465 0.960 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419983041 489871971 /nfs/dbraw/zinc/87/19/71/489871971.db2.gz UALYNHFVHMBQRN-KRWDZBQOSA-N 2 2 364.465 0.960 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419996628 489876548 /nfs/dbraw/zinc/87/65/48/489876548.db2.gz OKRLANNUJZSVMU-VIFPVBQESA-N 2 2 368.235 0.567 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000420025944 489884853 /nfs/dbraw/zinc/88/48/53/489884853.db2.gz BVVLVCZFRXWEJD-JSGCOSHPSA-N 2 2 363.462 0.407 20 0 FCADLP CCN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433483307 489889181 /nfs/dbraw/zinc/88/91/81/489889181.db2.gz DRKUFLKIJWLKEV-HUUCEWRRSA-N 2 2 362.478 0.025 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000420065658 489900149 /nfs/dbraw/zinc/90/01/49/489900149.db2.gz PRRBVRVBSZQXSL-CBBWQLFWSA-N 2 2 363.462 0.522 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000476561669 489900674 /nfs/dbraw/zinc/90/06/74/489900674.db2.gz HGDHGXKBJKHKIY-WBVHZDCISA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000476561669 489900677 /nfs/dbraw/zinc/90/06/77/489900677.db2.gz HGDHGXKBJKHKIY-WBVHZDCISA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000476561669 489900679 /nfs/dbraw/zinc/90/06/79/489900679.db2.gz HGDHGXKBJKHKIY-WBVHZDCISA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000476561669 489900683 /nfs/dbraw/zinc/90/06/83/489900683.db2.gz HGDHGXKBJKHKIY-WBVHZDCISA-N 2 2 363.506 0.843 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420070070 489902310 /nfs/dbraw/zinc/90/23/10/489902310.db2.gz IYSFHIODPXLGHO-MRXNPFEDSA-N 2 2 354.495 0.189 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420068724 489902551 /nfs/dbraw/zinc/90/25/51/489902551.db2.gz VBGVUTMPFHEOIP-GOSISDBHSA-N 2 2 374.485 0.583 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000420081400 489905075 /nfs/dbraw/zinc/90/50/75/489905075.db2.gz STGLHDQAHNEGRH-AWEZNQCLSA-N 2 2 362.474 0.754 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000420080565 489905201 /nfs/dbraw/zinc/90/52/01/489905201.db2.gz KXLPUOWHWGCWJG-AWEZNQCLSA-N 2 2 362.478 0.143 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000420080565 489905206 /nfs/dbraw/zinc/90/52/06/489905206.db2.gz KXLPUOWHWGCWJG-AWEZNQCLSA-N 2 2 362.478 0.143 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000377513197 489912274 /nfs/dbraw/zinc/91/22/74/489912274.db2.gz SHOCLLYCPZXYDL-GOSISDBHSA-N 3 2 366.550 0.973 20 0 FCADLP Cn1cc([C@H](CO)[NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000494804248 489914648 /nfs/dbraw/zinc/91/46/48/489914648.db2.gz BSRYBAWZAJCPHW-INIZCTEOSA-N 2 2 363.487 0.449 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2C)O1 ZINC000494831916 489915403 /nfs/dbraw/zinc/91/54/03/489915403.db2.gz CMNPLNACJSNEHG-IYBDPMFKSA-N 2 2 374.445 0.177 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420129351 489923069 /nfs/dbraw/zinc/92/30/69/489923069.db2.gz QMURNCKDWMXABY-LZLYRXPVSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420129351 489923074 /nfs/dbraw/zinc/92/30/74/489923074.db2.gz QMURNCKDWMXABY-LZLYRXPVSA-N 2 2 358.486 0.976 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434391198 489925530 /nfs/dbraw/zinc/92/55/30/489925530.db2.gz POBKTRDIRDXYNF-MSOLQXFVSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000434427776 489927091 /nfs/dbraw/zinc/92/70/91/489927091.db2.gz FOXRNDQZGCWCFH-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000434427776 489927093 /nfs/dbraw/zinc/92/70/93/489927093.db2.gz FOXRNDQZGCWCFH-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143293 489928327 /nfs/dbraw/zinc/92/83/27/489928327.db2.gz WYMAXMYXTOMUBW-MRXNPFEDSA-N 2 2 356.470 0.755 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143293 489928331 /nfs/dbraw/zinc/92/83/31/489928331.db2.gz WYMAXMYXTOMUBW-MRXNPFEDSA-N 2 2 356.470 0.755 20 0 FCADLP C[NH+](C)CCCOC1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434457133 489929677 /nfs/dbraw/zinc/92/96/77/489929677.db2.gz SMSLKRXYAVTHSN-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420146653 489929988 /nfs/dbraw/zinc/92/99/88/489929988.db2.gz ASYUYSVKHVULSU-HNNXBMFYSA-N 2 2 368.428 0.820 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420146653 489929993 /nfs/dbraw/zinc/92/99/93/489929993.db2.gz ASYUYSVKHVULSU-HNNXBMFYSA-N 2 2 368.428 0.820 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000434458882 489930462 /nfs/dbraw/zinc/93/04/62/489930462.db2.gz ICXCPPHEERLNJJ-KRWDZBQOSA-N 2 2 367.538 0.422 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420148354 489931488 /nfs/dbraw/zinc/93/14/88/489931488.db2.gz UIPRGTGLZPPJSP-FUHWJXTLSA-N 2 2 374.485 0.324 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638397 489936463 /nfs/dbraw/zinc/93/64/63/489936463.db2.gz ZJUIXDWEFOBXCF-ZFWWWQNUSA-N 2 2 366.535 0.923 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638397 489936464 /nfs/dbraw/zinc/93/64/64/489936464.db2.gz ZJUIXDWEFOBXCF-ZFWWWQNUSA-N 2 2 366.535 0.923 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000477092747 489941305 /nfs/dbraw/zinc/94/13/05/489941305.db2.gz CSYHEVUJZHRQTP-JKSUJKDBSA-N 2 2 356.511 0.306 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420184616 489944587 /nfs/dbraw/zinc/94/45/87/489944587.db2.gz AVWRFYZTQLYMPG-AEFFLSMTSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CCO)C2CCOCC2)CC1 ZINC000461938790 489945669 /nfs/dbraw/zinc/94/56/69/489945669.db2.gz UQDBUBFTJKPGMO-KRWDZBQOSA-N 2 2 356.511 0.489 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420190735 489946981 /nfs/dbraw/zinc/94/69/81/489946981.db2.gz PKUZCZQLQNLQMU-GJZGRUSLSA-N 2 2 363.462 0.451 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)n1 ZINC000461979850 489948277 /nfs/dbraw/zinc/94/82/77/489948277.db2.gz AAVUXHJLUORBFQ-UHFFFAOYSA-N 2 2 357.458 1.529 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000420300721 489961799 /nfs/dbraw/zinc/96/17/99/489961799.db2.gz DBRDAVDHPSJBBF-XQQFMLRXSA-N 2 2 355.446 0.797 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000420300721 489961801 /nfs/dbraw/zinc/96/18/01/489961801.db2.gz DBRDAVDHPSJBBF-XQQFMLRXSA-N 2 2 355.446 0.797 20 0 FCADLP C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000477432971 489964703 /nfs/dbraw/zinc/96/47/03/489964703.db2.gz FGDKDHHXJIKRPF-OAHLLOKOSA-N 2 2 350.507 0.729 20 0 FCADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351611 489966679 /nfs/dbraw/zinc/96/66/79/489966679.db2.gz XQALKKCWOPDIRX-CYBMUJFWSA-N 2 2 366.487 0.843 20 0 FCADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351611 489966681 /nfs/dbraw/zinc/96/66/81/489966681.db2.gz XQALKKCWOPDIRX-CYBMUJFWSA-N 2 2 366.487 0.843 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)ccc1C ZINC000420373496 489968681 /nfs/dbraw/zinc/96/86/81/489968681.db2.gz RERQELIBPSGTBN-IIYDPXPESA-N 2 2 368.503 0.818 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373804 489968831 /nfs/dbraw/zinc/96/88/31/489968831.db2.gz NGWMVYBKGMRXKS-HKUYNNGSSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373804 489968833 /nfs/dbraw/zinc/96/88/33/489968833.db2.gz NGWMVYBKGMRXKS-HKUYNNGSSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373804 489968836 /nfs/dbraw/zinc/96/88/36/489968836.db2.gz NGWMVYBKGMRXKS-HKUYNNGSSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373804 489968838 /nfs/dbraw/zinc/96/88/38/489968838.db2.gz NGWMVYBKGMRXKS-HKUYNNGSSA-N 3 2 352.523 0.535 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CCCO1 ZINC000420387558 489970628 /nfs/dbraw/zinc/97/06/28/489970628.db2.gz KILVVTIYXLVMLS-SFHVURJKSA-N 2 2 357.458 0.581 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CCCO1 ZINC000420387558 489970630 /nfs/dbraw/zinc/97/06/30/489970630.db2.gz KILVVTIYXLVMLS-SFHVURJKSA-N 2 2 357.458 0.581 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000420396678 489971379 /nfs/dbraw/zinc/97/13/79/489971379.db2.gz VZGWEIMSGKIDOS-KRWDZBQOSA-N 2 2 350.438 0.524 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000420396678 489971380 /nfs/dbraw/zinc/97/13/80/489971380.db2.gz VZGWEIMSGKIDOS-KRWDZBQOSA-N 2 2 350.438 0.524 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406063 489972413 /nfs/dbraw/zinc/97/24/13/489972413.db2.gz QKGKCEQGQPEUSN-OWCLPIDISA-N 2 2 352.479 0.938 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406063 489972416 /nfs/dbraw/zinc/97/24/16/489972416.db2.gz QKGKCEQGQPEUSN-OWCLPIDISA-N 2 2 352.479 0.938 20 0 FCADLP Cn1cnc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000420466771 489982178 /nfs/dbraw/zinc/98/21/78/489982178.db2.gz BNWIEMPPYSJYEE-UHFFFAOYSA-N 2 2 363.487 0.692 20 0 FCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477660737 489982744 /nfs/dbraw/zinc/98/27/44/489982744.db2.gz LJPFAMVMFOLRRW-JKSUJKDBSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+]1CCN(C(=O)C[C@H](CC(C)(C)C)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000571209740 491292957 /nfs/dbraw/zinc/29/29/57/491292957.db2.gz JZDVONXJVFNWDJ-MRXNPFEDSA-N 2 2 352.523 0.977 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000477958987 489998121 /nfs/dbraw/zinc/99/81/21/489998121.db2.gz GYNWGCWIFWISKI-QFBILLFUSA-N 2 2 368.522 0.404 20 0 FCADLP C[N@H+](Cc1ccccc1S(=O)(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000435379174 490000356 /nfs/dbraw/zinc/00/03/56/490000356.db2.gz LHYKLWMGULMFNW-UHFFFAOYSA-N 2 2 353.488 0.891 20 0 FCADLP C[N@@H+](Cc1ccccc1S(=O)(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000435379174 490000358 /nfs/dbraw/zinc/00/03/58/490000358.db2.gz LHYKLWMGULMFNW-UHFFFAOYSA-N 2 2 353.488 0.891 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435474519 490002628 /nfs/dbraw/zinc/00/26/28/490002628.db2.gz WVZPTKAGHSKSNM-CVEARBPZSA-N 2 2 361.446 0.584 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435474519 490002630 /nfs/dbraw/zinc/00/26/30/490002630.db2.gz WVZPTKAGHSKSNM-CVEARBPZSA-N 2 2 361.446 0.584 20 0 FCADLP CN(C)c1noc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000378083555 490007608 /nfs/dbraw/zinc/00/76/08/490007608.db2.gz ASLDIYHABWVNKH-GFCCVEGCSA-N 2 2 351.455 0.103 20 0 FCADLP CN(C)c1noc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000378083555 490007610 /nfs/dbraw/zinc/00/76/10/490007610.db2.gz ASLDIYHABWVNKH-GFCCVEGCSA-N 2 2 351.455 0.103 20 0 FCADLP CNC(=O)CN1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000463287023 490008527 /nfs/dbraw/zinc/00/85/27/490008527.db2.gz XRBZQZWXTZCWIR-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478215492 490010038 /nfs/dbraw/zinc/01/00/38/490010038.db2.gz ZXEBPJVHPXVRDR-KZNAEPCWSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478215492 490010042 /nfs/dbraw/zinc/01/00/42/490010042.db2.gz ZXEBPJVHPXVRDR-KZNAEPCWSA-N 2 2 370.538 0.830 20 0 FCADLP [NH3+]C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCO1 ZINC000478269137 490012836 /nfs/dbraw/zinc/01/28/36/490012836.db2.gz URUADXPCUBZRNQ-KRWDZBQOSA-N 2 2 366.893 0.644 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564208391 491294102 /nfs/dbraw/zinc/29/41/02/491294102.db2.gz VWHVEUCUAWEDMW-HNNXBMFYSA-N 2 2 355.446 0.955 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000437438677 490023161 /nfs/dbraw/zinc/02/31/61/490023161.db2.gz JMJXPNCYVNMAJU-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000437438677 490023164 /nfs/dbraw/zinc/02/31/64/490023164.db2.gz JMJXPNCYVNMAJU-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000420814569 490024239 /nfs/dbraw/zinc/02/42/39/490024239.db2.gz HVMWYPRUTFCEEE-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000420814569 490024244 /nfs/dbraw/zinc/02/42/44/490024244.db2.gz HVMWYPRUTFCEEE-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000438331631 490033737 /nfs/dbraw/zinc/03/37/37/490033737.db2.gz OOCAWRSEGVOSPC-HUUCEWRRSA-N 2 2 350.467 0.820 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000438331631 490033741 /nfs/dbraw/zinc/03/37/41/490033741.db2.gz OOCAWRSEGVOSPC-HUUCEWRRSA-N 2 2 350.467 0.820 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000438313260 490034225 /nfs/dbraw/zinc/03/42/25/490034225.db2.gz LXABBPUKHLWLGN-JKSUJKDBSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000438313260 490034228 /nfs/dbraw/zinc/03/42/28/490034228.db2.gz LXABBPUKHLWLGN-JKSUJKDBSA-N 2 2 362.478 0.964 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420981568 490038181 /nfs/dbraw/zinc/03/81/81/490038181.db2.gz GETOQUDMJMUCNW-OAHLLOKOSA-N 2 2 350.488 0.603 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420981568 490038185 /nfs/dbraw/zinc/03/81/85/490038185.db2.gz GETOQUDMJMUCNW-OAHLLOKOSA-N 2 2 350.488 0.603 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000556109887 491295720 /nfs/dbraw/zinc/29/57/20/491295720.db2.gz MVKITQQAMRNLRF-JYJNAYRXSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000556109887 491295722 /nfs/dbraw/zinc/29/57/22/491295722.db2.gz MVKITQQAMRNLRF-JYJNAYRXSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000441076996 490052134 /nfs/dbraw/zinc/05/21/34/490052134.db2.gz FYKXXWYVSMGKSM-ZIAGYGMSSA-N 2 2 356.430 1.147 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000441076996 490052137 /nfs/dbraw/zinc/05/21/37/490052137.db2.gz FYKXXWYVSMGKSM-ZIAGYGMSSA-N 2 2 356.430 1.147 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205673 490056009 /nfs/dbraw/zinc/05/60/09/490056009.db2.gz SZYQXCMGOPQSKX-IRXDYDNUSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205673 490056013 /nfs/dbraw/zinc/05/60/13/490056013.db2.gz SZYQXCMGOPQSKX-IRXDYDNUSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000421241072 490061366 /nfs/dbraw/zinc/06/13/66/490061366.db2.gz QBKDYLVKCFUQFC-QGZVFWFLSA-N 2 2 369.469 0.801 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000421241072 490061370 /nfs/dbraw/zinc/06/13/70/490061370.db2.gz QBKDYLVKCFUQFC-QGZVFWFLSA-N 2 2 369.469 0.801 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+]([C@H]3C=CCCCCC3)CC2)CC1 ZINC000556122512 491296703 /nfs/dbraw/zinc/29/67/03/491296703.db2.gz CBUJVLFHBHCICU-KRWDZBQOSA-N 2 2 356.536 0.985 20 0 FCADLP Cc1ccc(CNC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000378432914 490064361 /nfs/dbraw/zinc/06/43/61/490064361.db2.gz RNIFRTMEPGIMJK-UHFFFAOYSA-N 2 2 361.486 0.770 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443061345 490065974 /nfs/dbraw/zinc/06/59/74/490065974.db2.gz RHCCMQDYPZJMPX-JYJNAYRXSA-N 2 2 359.536 0.861 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443061345 490065976 /nfs/dbraw/zinc/06/59/76/490065976.db2.gz RHCCMQDYPZJMPX-JYJNAYRXSA-N 2 2 359.536 0.861 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000571284605 491297726 /nfs/dbraw/zinc/29/77/26/491297726.db2.gz FSNQXUZSHNKHKG-RYUDHWBXSA-N 2 2 354.476 0.371 20 0 FCADLP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH+](CC)CC1)c1ccco1 ZINC000479383300 490086619 /nfs/dbraw/zinc/08/66/19/490086619.db2.gz CSWDDYYSPYMSQW-OAHLLOKOSA-N 2 2 350.463 0.943 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000495783558 490093305 /nfs/dbraw/zinc/09/33/05/490093305.db2.gz GHOVTMSOXOQPPK-INMHGKMJSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1[NH+](C)C ZINC000465285642 490099466 /nfs/dbraw/zinc/09/94/66/490099466.db2.gz ODIHAKWFWIFXBX-HOTGVXAUSA-N 2 2 361.494 0.190 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000520197414 490115371 /nfs/dbraw/zinc/11/53/71/490115371.db2.gz QGBBAIVXESEPEI-KGLIPLIRSA-N 2 2 360.458 0.496 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000479762367 490123424 /nfs/dbraw/zinc/12/34/24/490123424.db2.gz BEHSBNCQYGODKP-CALCHBBNSA-N 2 2 350.507 0.539 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000479762367 490123432 /nfs/dbraw/zinc/12/34/32/490123432.db2.gz BEHSBNCQYGODKP-CALCHBBNSA-N 2 2 350.507 0.539 20 0 FCADLP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000479783051 490124947 /nfs/dbraw/zinc/12/49/47/490124947.db2.gz QJWNSJIAKXOYFY-KDURUIRLSA-N 2 2 370.497 0.417 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000479787373 490125126 /nfs/dbraw/zinc/12/51/26/490125126.db2.gz YUCCVTXJXMUAEQ-CALCHBBNSA-N 2 2 356.470 0.559 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000479787373 490125129 /nfs/dbraw/zinc/12/51/29/490125129.db2.gz YUCCVTXJXMUAEQ-CALCHBBNSA-N 2 2 356.470 0.559 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)N3CCOCC3)CC2)CC1 ZINC000422009502 490126483 /nfs/dbraw/zinc/12/64/83/490126483.db2.gz BFJXNUUILWMEFT-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)N3CCOCC3)CC2)CC1 ZINC000422009502 490126488 /nfs/dbraw/zinc/12/64/88/490126488.db2.gz BFJXNUUILWMEFT-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CCO[C@H]1COCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000545408506 490132022 /nfs/dbraw/zinc/13/20/22/490132022.db2.gz DCFYJRQUMVQWOK-IRXDYDNUSA-N 2 2 356.511 0.848 20 0 FCADLP CCO[C@H]1COCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545408506 490132025 /nfs/dbraw/zinc/13/20/25/490132025.db2.gz DCFYJRQUMVQWOK-IRXDYDNUSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341686 491301977 /nfs/dbraw/zinc/30/19/77/491301977.db2.gz PSEWXEQTZZDNKE-MJGOQNOKSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341686 491301980 /nfs/dbraw/zinc/30/19/80/491301980.db2.gz PSEWXEQTZZDNKE-MJGOQNOKSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000571341686 491301981 /nfs/dbraw/zinc/30/19/81/491301981.db2.gz PSEWXEQTZZDNKE-MJGOQNOKSA-N 2 2 350.459 0.742 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000497050981 490137902 /nfs/dbraw/zinc/13/79/02/490137902.db2.gz YOOLHVNZXUFEKO-TVFCKZIOSA-N 2 2 371.522 0.272 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000465837342 490144524 /nfs/dbraw/zinc/14/45/24/490144524.db2.gz PKEUDANQQSLDTQ-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000465837342 490144535 /nfs/dbraw/zinc/14/45/35/490144535.db2.gz PKEUDANQQSLDTQ-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000422092674 490145147 /nfs/dbraw/zinc/14/51/47/490145147.db2.gz DEEXVIKIJJEJKU-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000422092674 490145157 /nfs/dbraw/zinc/14/51/57/490145157.db2.gz DEEXVIKIJJEJKU-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000506875059 490147853 /nfs/dbraw/zinc/14/78/53/490147853.db2.gz SCCDTCNVHNSGAM-IIDMSEBBSA-N 2 2 374.489 0.867 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422107992 490160092 /nfs/dbraw/zinc/16/00/92/490160092.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422107992 490160097 /nfs/dbraw/zinc/16/00/97/490160097.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422107992 490160102 /nfs/dbraw/zinc/16/01/02/490160102.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422107992 490160107 /nfs/dbraw/zinc/16/01/07/490160107.db2.gz UAZIBJKAEMLSJD-KRWDZBQOSA-N 3 2 367.538 0.023 20 0 FCADLP CCOCCN(C)C(=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422116398 490167329 /nfs/dbraw/zinc/16/73/29/490167329.db2.gz OCLWSEHUBQLGMR-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CCOCCN(C)C(=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422116398 490167339 /nfs/dbraw/zinc/16/73/39/490167339.db2.gz OCLWSEHUBQLGMR-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000520604088 490169401 /nfs/dbraw/zinc/16/94/01/490169401.db2.gz KUQFKDMALIEAJS-GOSISDBHSA-N 2 2 354.539 0.708 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000520604088 490169412 /nfs/dbraw/zinc/16/94/12/490169412.db2.gz KUQFKDMALIEAJS-GOSISDBHSA-N 2 2 354.539 0.708 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000520614077 490172230 /nfs/dbraw/zinc/17/22/30/490172230.db2.gz QYPLFWJWIUBMBJ-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000520614077 490172233 /nfs/dbraw/zinc/17/22/33/490172233.db2.gz QYPLFWJWIUBMBJ-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000520614077 490172237 /nfs/dbraw/zinc/17/22/37/490172237.db2.gz QYPLFWJWIUBMBJ-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000520614077 490172241 /nfs/dbraw/zinc/17/22/41/490172241.db2.gz QYPLFWJWIUBMBJ-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC000546009110 490175646 /nfs/dbraw/zinc/17/56/46/490175646.db2.gz ZNXXHBJZNUERPE-HNNXBMFYSA-N 2 2 360.462 0.586 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422134712 490183142 /nfs/dbraw/zinc/18/31/42/490183142.db2.gz JUDFQLHGSWRAQY-SJLPKXTDSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422134712 490183149 /nfs/dbraw/zinc/18/31/49/490183149.db2.gz JUDFQLHGSWRAQY-SJLPKXTDSA-N 2 2 373.501 0.839 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000571419208 491306273 /nfs/dbraw/zinc/30/62/73/491306273.db2.gz SSBPQTFQUQBIQB-WMZOPIPTSA-N 2 2 374.485 0.726 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000571419208 491306275 /nfs/dbraw/zinc/30/62/75/491306275.db2.gz SSBPQTFQUQBIQB-WMZOPIPTSA-N 2 2 374.485 0.726 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000497734324 490206329 /nfs/dbraw/zinc/20/63/29/490206329.db2.gz HILVZYFRTQGDAD-CQSZACIVSA-N 2 2 367.881 0.171 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000533298752 490208093 /nfs/dbraw/zinc/20/80/93/490208093.db2.gz FSUUHAJOPCJICQ-HNNXBMFYSA-N 2 2 369.506 0.565 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000533298752 490208096 /nfs/dbraw/zinc/20/80/96/490208096.db2.gz FSUUHAJOPCJICQ-HNNXBMFYSA-N 2 2 369.506 0.565 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000521088962 490223541 /nfs/dbraw/zinc/22/35/41/490223541.db2.gz POEUMDWCHRPLLP-WBVHZDCISA-N 2 2 369.469 0.951 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000521088962 490223545 /nfs/dbraw/zinc/22/35/45/490223545.db2.gz POEUMDWCHRPLLP-WBVHZDCISA-N 2 2 369.469 0.951 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000556308130 491308914 /nfs/dbraw/zinc/30/89/14/491308914.db2.gz APCHZGDWJBPEBD-JKSUJKDBSA-N 2 2 365.478 0.251 20 0 FCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000571461081 491309738 /nfs/dbraw/zinc/30/97/38/491309738.db2.gz GCWSZCWIGMMACC-CMPLNLGQSA-N 2 2 358.430 0.707 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000533445357 490235495 /nfs/dbraw/zinc/23/54/95/490235495.db2.gz GSUCUCNORBZLKO-MRXNPFEDSA-N 2 2 367.538 0.118 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000533445357 490235499 /nfs/dbraw/zinc/23/54/99/490235499.db2.gz GSUCUCNORBZLKO-MRXNPFEDSA-N 2 2 367.538 0.118 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000498033683 490247962 /nfs/dbraw/zinc/24/79/62/490247962.db2.gz VSURCDPBZWJXRI-FGTMMUONSA-N 2 2 369.554 0.357 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000498033683 490247965 /nfs/dbraw/zinc/24/79/65/490247965.db2.gz VSURCDPBZWJXRI-FGTMMUONSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000498033683 490247968 /nfs/dbraw/zinc/24/79/68/490247968.db2.gz VSURCDPBZWJXRI-FGTMMUONSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000498033683 490247973 /nfs/dbraw/zinc/24/79/73/490247973.db2.gz VSURCDPBZWJXRI-FGTMMUONSA-N 2 2 369.554 0.357 20 0 FCADLP O=C(NCC[NH+]1CCC1)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000533566649 490256378 /nfs/dbraw/zinc/25/63/78/490256378.db2.gz JBBGORARRWPEIY-UHFFFAOYSA-N 2 2 360.439 0.740 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357045 490274508 /nfs/dbraw/zinc/27/45/08/490274508.db2.gz AGFJZEABYBWTDT-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357045 490274516 /nfs/dbraw/zinc/27/45/16/490274516.db2.gz AGFJZEABYBWTDT-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CSCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000533812084 490287313 /nfs/dbraw/zinc/28/73/13/490287313.db2.gz NTZVWIIPHGWQNM-KBPBESRZSA-N 2 2 364.475 0.522 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)SC)CC2)CC1 ZINC000422389327 490296110 /nfs/dbraw/zinc/29/61/10/490296110.db2.gz YLSWAAUXTFFNRB-OAHLLOKOSA-N 2 2 370.563 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)SC)CC2)CC1 ZINC000422389327 490296121 /nfs/dbraw/zinc/29/61/21/490296121.db2.gz YLSWAAUXTFFNRB-OAHLLOKOSA-N 2 2 370.563 0.873 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000564585238 491315406 /nfs/dbraw/zinc/31/54/06/491315406.db2.gz KQRPRBNZLDYNIU-GOEBONIOSA-N 2 2 370.519 0.946 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000564585238 491315407 /nfs/dbraw/zinc/31/54/07/491315407.db2.gz KQRPRBNZLDYNIU-GOEBONIOSA-N 2 2 370.519 0.946 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000483279137 490299433 /nfs/dbraw/zinc/29/94/33/490299433.db2.gz XIYZXQDNDJJYLQ-UHFFFAOYSA-N 2 2 350.419 0.598 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483397041 490313781 /nfs/dbraw/zinc/31/37/81/490313781.db2.gz FIIRLYWVCLXMSG-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483397041 490313787 /nfs/dbraw/zinc/31/37/87/490313787.db2.gz FIIRLYWVCLXMSG-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000422439440 490320042 /nfs/dbraw/zinc/32/00/42/490320042.db2.gz BIMJLOXUXLQFNU-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000422439440 490320043 /nfs/dbraw/zinc/32/00/43/490320043.db2.gz BIMJLOXUXLQFNU-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cccc(C(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000521994888 490322504 /nfs/dbraw/zinc/32/25/04/490322504.db2.gz ITZMXVAHIJEGSE-GPMSIDNRSA-N 2 2 363.502 0.991 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCCCC1 ZINC000467650593 490326732 /nfs/dbraw/zinc/32/67/32/490326732.db2.gz OGHVNGSUDOIXIK-HOTGVXAUSA-N 2 2 359.536 0.828 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000522020274 490328411 /nfs/dbraw/zinc/32/84/11/490328411.db2.gz VRDIXSQFGPEIJJ-UHFFFAOYSA-N 2 2 367.515 0.980 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000522025705 490330950 /nfs/dbraw/zinc/33/09/50/490330950.db2.gz UWCAQRFHYUOKNW-HOTGVXAUSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000522025705 490330956 /nfs/dbraw/zinc/33/09/56/490330956.db2.gz UWCAQRFHYUOKNW-HOTGVXAUSA-N 2 2 361.490 0.941 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000508738559 490355637 /nfs/dbraw/zinc/35/56/37/490355637.db2.gz SNUYKLDKSYXHQY-OAHLLOKOSA-N 2 2 358.446 0.838 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000498869925 490359218 /nfs/dbraw/zinc/35/92/18/490359218.db2.gz ZXVTWBSORBVMAA-QGZVFWFLSA-N 2 2 358.442 0.830 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000498869925 490359222 /nfs/dbraw/zinc/35/92/22/490359222.db2.gz ZXVTWBSORBVMAA-QGZVFWFLSA-N 2 2 358.442 0.830 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000410710317 490368009 /nfs/dbraw/zinc/36/80/09/490368009.db2.gz IEACYCSKYQBZQA-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000410710317 490368015 /nfs/dbraw/zinc/36/80/15/490368015.db2.gz IEACYCSKYQBZQA-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000498951068 490369727 /nfs/dbraw/zinc/36/97/27/490369727.db2.gz VHISNXAPNRQAKK-KRWDZBQOSA-N 2 2 359.474 0.951 20 0 FCADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000498951068 490369737 /nfs/dbraw/zinc/36/97/37/490369737.db2.gz VHISNXAPNRQAKK-KRWDZBQOSA-N 2 2 359.474 0.951 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410993015 490377105 /nfs/dbraw/zinc/37/71/05/490377105.db2.gz YCKJGECHTXIRMV-HRCADAONSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410993015 490377109 /nfs/dbraw/zinc/37/71/09/490377109.db2.gz YCKJGECHTXIRMV-HRCADAONSA-N 2 2 374.489 0.168 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067133 490384994 /nfs/dbraw/zinc/38/49/94/490384994.db2.gz KCXLZTCSLDYVNU-HRCADAONSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067133 490384997 /nfs/dbraw/zinc/38/49/97/490384997.db2.gz KCXLZTCSLDYVNU-HRCADAONSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000509080591 490386358 /nfs/dbraw/zinc/38/63/58/490386358.db2.gz GNQRPZZKJNXFDK-MDZRGWNJSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000509080591 490386364 /nfs/dbraw/zinc/38/63/64/490386364.db2.gz GNQRPZZKJNXFDK-MDZRGWNJSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)[C@H]1CCNC1=O ZINC000534665126 490394219 /nfs/dbraw/zinc/39/42/19/490394219.db2.gz MQKORKBOWSMNTQ-YJBOKZPZSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)[C@H]1CCNC1=O ZINC000534665126 490394224 /nfs/dbraw/zinc/39/42/24/490394224.db2.gz MQKORKBOWSMNTQ-YJBOKZPZSA-N 2 2 358.486 0.976 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCN4C(=O)CC[C@H]4C3)CC2)c1 ZINC000499257971 490405455 /nfs/dbraw/zinc/40/54/55/490405455.db2.gz XBYLHNVLVHTSRK-IBGZPJMESA-N 2 2 370.497 0.946 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCN4C(=O)CC[C@H]4C3)CC2)c1 ZINC000499257971 490405460 /nfs/dbraw/zinc/40/54/60/490405460.db2.gz XBYLHNVLVHTSRK-IBGZPJMESA-N 2 2 370.497 0.946 20 0 FCADLP CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000564741812 491324088 /nfs/dbraw/zinc/32/40/88/491324088.db2.gz VXKLAKFFNSINKK-DLBZAZTESA-N 2 2 359.474 0.856 20 0 FCADLP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000564741812 491324090 /nfs/dbraw/zinc/32/40/90/491324090.db2.gz VXKLAKFFNSINKK-DLBZAZTESA-N 2 2 359.474 0.856 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000564751286 491324441 /nfs/dbraw/zinc/32/44/41/491324441.db2.gz ZFLQSIPNDVUPAE-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845767 490416141 /nfs/dbraw/zinc/41/61/41/490416141.db2.gz FSVMWHDSAQQMRK-FGTMMUONSA-N 2 2 362.474 0.252 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845767 490416150 /nfs/dbraw/zinc/41/61/50/490416150.db2.gz FSVMWHDSAQQMRK-FGTMMUONSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000534845767 490416155 /nfs/dbraw/zinc/41/61/55/490416155.db2.gz FSVMWHDSAQQMRK-FGTMMUONSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534845767 490416160 /nfs/dbraw/zinc/41/61/60/490416160.db2.gz FSVMWHDSAQQMRK-FGTMMUONSA-N 2 2 362.474 0.252 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000534956137 490428860 /nfs/dbraw/zinc/42/88/60/490428860.db2.gz WAPRTLDJEQYSCU-UHFFFAOYSA-N 2 2 358.508 0.954 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000548193910 490434830 /nfs/dbraw/zinc/43/48/30/490434830.db2.gz FWJCQVNUSGNEMB-INIZCTEOSA-N 2 2 365.522 0.524 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000422633591 490436402 /nfs/dbraw/zinc/43/64/02/490436402.db2.gz IODPJAKIBQLIJX-VSZNYVQBSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000422633591 490436407 /nfs/dbraw/zinc/43/64/07/490436407.db2.gz IODPJAKIBQLIJX-VSZNYVQBSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000422633591 490436414 /nfs/dbraw/zinc/43/64/14/490436414.db2.gz IODPJAKIBQLIJX-VSZNYVQBSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000422633591 490436423 /nfs/dbraw/zinc/43/64/23/490436423.db2.gz IODPJAKIBQLIJX-VSZNYVQBSA-N 3 2 354.539 0.765 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535011675 490437091 /nfs/dbraw/zinc/43/70/91/490437091.db2.gz CUNLSXODCYARJK-KURKYZTESA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000535011675 490437098 /nfs/dbraw/zinc/43/70/98/490437098.db2.gz CUNLSXODCYARJK-KURKYZTESA-N 2 2 367.538 0.375 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484888851 490475022 /nfs/dbraw/zinc/47/50/22/490475022.db2.gz BENGBUAOWMPNOK-BDXSIMOUSA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484888851 490475026 /nfs/dbraw/zinc/47/50/26/490475026.db2.gz BENGBUAOWMPNOK-BDXSIMOUSA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484888851 490475028 /nfs/dbraw/zinc/47/50/28/490475028.db2.gz BENGBUAOWMPNOK-BDXSIMOUSA-N 2 2 352.523 0.676 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564825000 491329119 /nfs/dbraw/zinc/32/91/19/491329119.db2.gz OKNQVNLNOANLSF-UKRRQHHQSA-N 2 2 350.488 0.588 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484907604 490477962 /nfs/dbraw/zinc/47/79/62/490477962.db2.gz PVPGBRBXNBQXMT-UONOGXRCSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484907604 490477971 /nfs/dbraw/zinc/47/79/71/490477971.db2.gz PVPGBRBXNBQXMT-UONOGXRCSA-N 2 2 352.504 0.882 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422842827 490485656 /nfs/dbraw/zinc/48/56/56/490485656.db2.gz GPEDZVHCPXRMDS-DLBZAZTESA-N 3 2 361.490 0.477 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422842827 490485664 /nfs/dbraw/zinc/48/56/64/490485664.db2.gz GPEDZVHCPXRMDS-DLBZAZTESA-N 2 2 361.490 0.477 20 0 FCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889607 490491883 /nfs/dbraw/zinc/49/18/83/490491883.db2.gz PWVRGZGSXPPRJE-HUUCEWRRSA-N 3 2 354.495 0.237 20 0 FCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889607 490491887 /nfs/dbraw/zinc/49/18/87/490491887.db2.gz PWVRGZGSXPPRJE-HUUCEWRRSA-N 3 2 354.495 0.237 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)[C@@H](C)C1 ZINC000523750867 490492629 /nfs/dbraw/zinc/49/26/29/490492629.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)[C@@H](C)C1 ZINC000523750867 490492638 /nfs/dbraw/zinc/49/26/38/490492638.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)[C@@H](C)C1 ZINC000523750867 490492644 /nfs/dbraw/zinc/49/26/44/490492644.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)[C@@H](C)C1 ZINC000523750867 490492653 /nfs/dbraw/zinc/49/26/53/490492653.db2.gz MNXQBRNCRVJNJN-BZSNNMDCSA-N 2 2 369.554 0.668 20 0 FCADLP CCOC1CC(CNc2cc(NC[C@@H](C)O)[nH+]cn2)([NH+]2CCOCC2)C1 ZINC000413257581 490498412 /nfs/dbraw/zinc/49/84/12/490498412.db2.gz CRDWBKCTLQQXAS-KSTDHSDQSA-N 2 2 365.478 0.951 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+](C)C1 ZINC000413116562 490498551 /nfs/dbraw/zinc/49/85/51/490498551.db2.gz POAFMDYFDXRGEF-HNNXBMFYSA-N 2 2 363.462 0.938 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+](C)C1 ZINC000413116562 490498555 /nfs/dbraw/zinc/49/85/55/490498555.db2.gz POAFMDYFDXRGEF-HNNXBMFYSA-N 2 2 363.462 0.938 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000564861174 491331747 /nfs/dbraw/zinc/33/17/47/491331747.db2.gz YRJYJBFUQHFMIC-RNONSGAXSA-N 2 2 362.536 0.650 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000564861174 491331749 /nfs/dbraw/zinc/33/17/49/491331749.db2.gz YRJYJBFUQHFMIC-RNONSGAXSA-N 2 2 362.536 0.650 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C)C1 ZINC000413904797 490510302 /nfs/dbraw/zinc/51/03/02/490510302.db2.gz PYYAMWXQHWEJSA-HOTGVXAUSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C)C1 ZINC000413904797 490510309 /nfs/dbraw/zinc/51/03/09/490510309.db2.gz PYYAMWXQHWEJSA-HOTGVXAUSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904797 490510316 /nfs/dbraw/zinc/51/03/16/490510316.db2.gz PYYAMWXQHWEJSA-HOTGVXAUSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904797 490510322 /nfs/dbraw/zinc/51/03/22/490510322.db2.gz PYYAMWXQHWEJSA-HOTGVXAUSA-N 2 2 353.463 0.051 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985279 490511165 /nfs/dbraw/zinc/51/11/65/490511165.db2.gz CYJQHDHAZCMYAP-IKGGRYGDSA-N 3 2 360.506 0.870 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985279 490511171 /nfs/dbraw/zinc/51/11/71/490511171.db2.gz CYJQHDHAZCMYAP-IKGGRYGDSA-N 2 2 360.506 0.870 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000423011559 490517177 /nfs/dbraw/zinc/51/71/77/490517177.db2.gz JFWIHQUFZANDGT-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423021266 490520924 /nfs/dbraw/zinc/52/09/24/490520924.db2.gz DWMKESQZFGLCLD-AEFFLSMTSA-N 2 2 374.485 0.405 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)CCCO ZINC000510627933 490529590 /nfs/dbraw/zinc/52/95/90/490529590.db2.gz JBSWSLCPLNWHDQ-UHFFFAOYSA-N 2 2 370.538 0.386 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)CCCO ZINC000510627933 490529594 /nfs/dbraw/zinc/52/95/94/490529594.db2.gz JBSWSLCPLNWHDQ-UHFFFAOYSA-N 2 2 370.538 0.386 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000524667558 490549903 /nfs/dbraw/zinc/54/99/03/490549903.db2.gz JQASAXPRKUDUIM-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000524667558 490549905 /nfs/dbraw/zinc/54/99/05/490549905.db2.gz JQASAXPRKUDUIM-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000524667558 490549906 /nfs/dbraw/zinc/54/99/06/490549906.db2.gz JQASAXPRKUDUIM-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000524667558 490549909 /nfs/dbraw/zinc/54/99/09/490549909.db2.gz JQASAXPRKUDUIM-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000524667558 490549911 /nfs/dbraw/zinc/54/99/11/490549911.db2.gz JQASAXPRKUDUIM-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000524667558 490549915 /nfs/dbraw/zinc/54/99/15/490549915.db2.gz JQASAXPRKUDUIM-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000524722336 490553795 /nfs/dbraw/zinc/55/37/95/490553795.db2.gz ILHGPBFYDUBZEY-UHFFFAOYSA-N 2 2 353.511 0.668 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485785135 490558287 /nfs/dbraw/zinc/55/82/87/490558287.db2.gz LOASWBFCHCZZTJ-HNNXBMFYSA-N 2 2 374.489 0.161 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000500856887 490558780 /nfs/dbraw/zinc/55/87/80/490558780.db2.gz UDSUBIXGCGNLCM-UHFFFAOYSA-N 2 2 356.511 0.260 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000500856887 490558784 /nfs/dbraw/zinc/55/87/84/490558784.db2.gz UDSUBIXGCGNLCM-UHFFFAOYSA-N 2 2 356.511 0.260 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485798148 490558882 /nfs/dbraw/zinc/55/88/82/490558882.db2.gz NALJVRPFKCVJNP-OAHLLOKOSA-N 2 2 371.445 0.364 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000571902097 491336537 /nfs/dbraw/zinc/33/65/37/491336537.db2.gz IWUBMOOPVIQNLM-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000571902097 491336540 /nfs/dbraw/zinc/33/65/40/491336540.db2.gz IWUBMOOPVIQNLM-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000564922411 491336803 /nfs/dbraw/zinc/33/68/03/491336803.db2.gz GRPFLTKEPATLBH-ULQDDVLXSA-N 2 2 368.522 0.579 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCC[N@@H+](CCN3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581963 /nfs/dbraw/zinc/58/19/63/490581963.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCC[N@H+](CCN3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581967 /nfs/dbraw/zinc/58/19/67/490581967.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCC[NH+](CCN3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581972 /nfs/dbraw/zinc/58/19/72/490581972.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCC[NH+](CCN3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581976 /nfs/dbraw/zinc/58/19/76/490581976.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCCN(CC[NH+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581981 /nfs/dbraw/zinc/58/19/81/490581981.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCCN(CC[NH+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581985 /nfs/dbraw/zinc/58/19/85/490581985.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581990 /nfs/dbraw/zinc/58/19/90/490581990.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000501129385 490581996 /nfs/dbraw/zinc/58/19/96/490581996.db2.gz ADBVOGNCCRKNRW-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[NH+](C)CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000536471558 490582101 /nfs/dbraw/zinc/58/21/01/490582101.db2.gz KRTHMNWVGWGJQY-UHFFFAOYSA-N 2 2 353.511 0.572 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc2c1OCCO2 ZINC000486021220 490584225 /nfs/dbraw/zinc/58/42/25/490584225.db2.gz SRLVSJUDZLJUNC-OAHLLOKOSA-N 2 2 361.442 0.863 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc2c1OCCO2 ZINC000486021220 490584231 /nfs/dbraw/zinc/58/42/31/490584231.db2.gz SRLVSJUDZLJUNC-OAHLLOKOSA-N 2 2 361.442 0.863 20 0 FCADLP C[C@@](O)(CNC(=O)NCc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000525297686 490593702 /nfs/dbraw/zinc/59/37/02/490593702.db2.gz LNWPCVZUHRKSKW-QGZVFWFLSA-N 2 2 351.451 0.102 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573518 490604448 /nfs/dbraw/zinc/60/44/48/490604448.db2.gz LMAJTFNFDPWVMH-QFBILLFUSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573518 490604451 /nfs/dbraw/zinc/60/44/51/490604451.db2.gz LMAJTFNFDPWVMH-QFBILLFUSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000571950119 491339368 /nfs/dbraw/zinc/33/93/68/491339368.db2.gz GVAAFCSTQKMXMT-INIZCTEOSA-N 2 2 359.536 0.845 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000571950119 491339370 /nfs/dbraw/zinc/33/93/70/491339370.db2.gz GVAAFCSTQKMXMT-INIZCTEOSA-N 2 2 359.536 0.845 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000549986112 490617055 /nfs/dbraw/zinc/61/70/55/490617055.db2.gz DOLKLAAKUVRQBI-OAHLLOKOSA-N 2 2 371.441 0.653 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550044206 490620919 /nfs/dbraw/zinc/62/09/19/490620919.db2.gz IIXGNOLYDPZZBG-MRXNPFEDSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000550075461 490623848 /nfs/dbraw/zinc/62/38/48/490623848.db2.gz DXVRNGHXACEOEQ-UHFFFAOYSA-N 2 2 373.457 0.520 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486438745 490624678 /nfs/dbraw/zinc/62/46/78/490624678.db2.gz QEGAQAMWWNNBQX-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486438745 490624684 /nfs/dbraw/zinc/62/46/84/490624684.db2.gz QEGAQAMWWNNBQX-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486443414 490626846 /nfs/dbraw/zinc/62/68/46/490626846.db2.gz HAZIIIJBTCKQBK-MJGOQNOKSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486443414 490626851 /nfs/dbraw/zinc/62/68/51/490626851.db2.gz HAZIIIJBTCKQBK-MJGOQNOKSA-N 2 2 372.513 0.938 20 0 FCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453331 490627718 /nfs/dbraw/zinc/62/77/18/490627718.db2.gz DXMMIQVDHDZUTH-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453331 490627723 /nfs/dbraw/zinc/62/77/23/490627723.db2.gz DXMMIQVDHDZUTH-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486452502 490627941 /nfs/dbraw/zinc/62/79/41/490627941.db2.gz PTTVXBZIHNAOLX-CABCVRRESA-N 2 2 364.515 0.692 20 0 FCADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486452502 490627948 /nfs/dbraw/zinc/62/79/48/490627948.db2.gz PTTVXBZIHNAOLX-CABCVRRESA-N 2 2 364.515 0.692 20 0 FCADLP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486452505 490629248 /nfs/dbraw/zinc/62/92/48/490629248.db2.gz PTTVXBZIHNAOLX-LSDHHAIUSA-N 2 2 364.515 0.692 20 0 FCADLP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486452505 490629253 /nfs/dbraw/zinc/62/92/53/490629253.db2.gz PTTVXBZIHNAOLX-LSDHHAIUSA-N 2 2 364.515 0.692 20 0 FCADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468411 490634474 /nfs/dbraw/zinc/63/44/74/490634474.db2.gz KRTHLTGWCAGLLB-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468411 490634477 /nfs/dbraw/zinc/63/44/77/490634477.db2.gz KRTHLTGWCAGLLB-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486462920 490634550 /nfs/dbraw/zinc/63/45/50/490634550.db2.gz RGESZERXSAIAED-INIZCTEOSA-N 2 2 360.458 0.920 20 0 FCADLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486462920 490634553 /nfs/dbraw/zinc/63/45/53/490634553.db2.gz RGESZERXSAIAED-INIZCTEOSA-N 2 2 360.458 0.920 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000486463560 490635052 /nfs/dbraw/zinc/63/50/52/490635052.db2.gz SZHFXXPKEZAYSH-SJORKVTESA-N 2 2 372.469 0.003 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000486463560 490635059 /nfs/dbraw/zinc/63/50/59/490635059.db2.gz SZHFXXPKEZAYSH-SJORKVTESA-N 2 2 372.469 0.003 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486466098 490635602 /nfs/dbraw/zinc/63/56/02/490635602.db2.gz HQKMTXNVIDDGPB-BBRMVZONSA-N 2 2 373.457 0.009 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486466098 490635606 /nfs/dbraw/zinc/63/56/06/490635606.db2.gz HQKMTXNVIDDGPB-BBRMVZONSA-N 2 2 373.457 0.009 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCC1CCCCC1 ZINC000486462923 490635678 /nfs/dbraw/zinc/63/56/78/490635678.db2.gz RGUNRCJSORTKCE-KRWDZBQOSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCC1CCCCC1 ZINC000486462923 490635680 /nfs/dbraw/zinc/63/56/80/490635680.db2.gz RGUNRCJSORTKCE-KRWDZBQOSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486474447 490637401 /nfs/dbraw/zinc/63/74/01/490637401.db2.gz XPFOZRVKDGQLIZ-AWEZNQCLSA-N 2 2 360.414 0.250 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486474447 490637405 /nfs/dbraw/zinc/63/74/05/490637405.db2.gz XPFOZRVKDGQLIZ-AWEZNQCLSA-N 2 2 360.414 0.250 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCOCC1 ZINC000550276572 490650910 /nfs/dbraw/zinc/65/09/10/490650910.db2.gz MNAJOCXURDWDEC-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277382 490651067 /nfs/dbraw/zinc/65/10/67/490651067.db2.gz NLUHVRTUVUALDT-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277382 490651071 /nfs/dbraw/zinc/65/10/71/490651071.db2.gz NLUHVRTUVUALDT-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000501936841 490657254 /nfs/dbraw/zinc/65/72/54/490657254.db2.gz GCVYQIQUXGNXIV-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000572028850 491343698 /nfs/dbraw/zinc/34/36/98/491343698.db2.gz IIUZKMUBOZZMND-DAYGRLMNSA-N 2 2 370.515 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000572028850 491343701 /nfs/dbraw/zinc/34/37/01/491343701.db2.gz IIUZKMUBOZZMND-DAYGRLMNSA-N 2 2 370.515 0.791 20 0 FCADLP Cc1ccc(NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1S(=O)(=O)N(C)C ZINC000564987929 491343929 /nfs/dbraw/zinc/34/39/29/491343929.db2.gz ZKHOGMDYJZTMMG-UHFFFAOYSA-N 2 2 354.476 0.655 20 0 FCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@H+](C)C2CC([NH3+])C2)c(=O)[nH]c1=O ZINC000564988678 491344073 /nfs/dbraw/zinc/34/40/73/491344073.db2.gz NOYHKUARYDRFBS-UHFFFAOYSA-N 2 2 366.466 0.106 20 0 FCADLP CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](C)C2CC([NH3+])C2)c(=O)[nH]c1=O ZINC000564988678 491344075 /nfs/dbraw/zinc/34/40/75/491344075.db2.gz NOYHKUARYDRFBS-UHFFFAOYSA-N 2 2 366.466 0.106 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550469089 490672427 /nfs/dbraw/zinc/67/24/27/490672427.db2.gz DFBAQAVBRNGZHK-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550469089 490672430 /nfs/dbraw/zinc/67/24/30/490672430.db2.gz DFBAQAVBRNGZHK-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000572049783 491345446 /nfs/dbraw/zinc/34/54/46/491345446.db2.gz YQWZMQMULABUDO-UHFFFAOYSA-N 2 2 353.488 0.767 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000537739174 490692998 /nfs/dbraw/zinc/69/29/98/490692998.db2.gz PINIVKCGVHMLTF-UHFFFAOYSA-N 2 2 358.464 0.025 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000537739174 490693001 /nfs/dbraw/zinc/69/30/01/490693001.db2.gz PINIVKCGVHMLTF-UHFFFAOYSA-N 2 2 358.464 0.025 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000527033861 490693437 /nfs/dbraw/zinc/69/34/37/490693437.db2.gz DPYHSWUTTJUPDK-AWEZNQCLSA-N 2 2 366.491 0.551 20 0 FCADLP CCc1nsc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000537834242 490698217 /nfs/dbraw/zinc/69/82/17/490698217.db2.gz ZLBMHVSUTCSJAW-UHFFFAOYSA-N 2 2 366.535 0.775 20 0 FCADLP COCC[NH+](CCOC)C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000512828586 490701225 /nfs/dbraw/zinc/70/12/25/490701225.db2.gz QHKBFNKZSDNKKT-UHFFFAOYSA-N 2 2 363.524 0.081 20 0 FCADLP CCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000487278211 490702509 /nfs/dbraw/zinc/70/25/09/490702509.db2.gz ZQMHMTSBKKJJIM-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC000502557311 490709486 /nfs/dbraw/zinc/70/94/86/490709486.db2.gz UZMADPRFTGEQFP-ULQDDVLXSA-N 2 2 363.462 0.169 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC000502557311 490709488 /nfs/dbraw/zinc/70/94/88/490709488.db2.gz UZMADPRFTGEQFP-ULQDDVLXSA-N 2 2 363.462 0.169 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000527240143 490710605 /nfs/dbraw/zinc/71/06/05/490710605.db2.gz YKIIHVJJSBNDDO-UHFFFAOYSA-N 2 2 370.457 0.603 20 0 FCADLP O=S1(=O)CCO[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000513155230 490711257 /nfs/dbraw/zinc/71/12/57/490711257.db2.gz VCQBVQBQUYSGID-GFCCVEGCSA-N 2 2 360.399 0.436 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@H]1OC ZINC000488035522 490742851 /nfs/dbraw/zinc/74/28/51/490742851.db2.gz OEHPYJDWOOLBMR-RTBURBONSA-N 2 2 361.486 0.985 20 0 FCADLP CC(C)(C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000513772560 490746321 /nfs/dbraw/zinc/74/63/21/490746321.db2.gz AERHCDOHNOKQCA-MRXNPFEDSA-N 2 2 355.479 0.047 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](CC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000503473790 490758402 /nfs/dbraw/zinc/75/84/02/490758402.db2.gz OKQXDSDPRXHNIV-INIZCTEOSA-N 2 2 359.536 0.828 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](CC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000503473790 490758406 /nfs/dbraw/zinc/75/84/06/490758406.db2.gz OKQXDSDPRXHNIV-INIZCTEOSA-N 2 2 359.536 0.828 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488562375 490764387 /nfs/dbraw/zinc/76/43/87/490764387.db2.gz SDUUNZXNMOOQLC-LSDHHAIUSA-N 2 2 362.478 0.440 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488562375 490764390 /nfs/dbraw/zinc/76/43/90/490764390.db2.gz SDUUNZXNMOOQLC-LSDHHAIUSA-N 2 2 362.478 0.440 20 0 FCADLP COCCCNC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539145855 490765168 /nfs/dbraw/zinc/76/51/68/490765168.db2.gz COHKACCLJKQGHY-CALCHBBNSA-N 2 2 371.522 0.729 20 0 FCADLP COCCCNC(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539145855 490765170 /nfs/dbraw/zinc/76/51/70/490765170.db2.gz COHKACCLJKQGHY-CALCHBBNSA-N 2 2 371.522 0.729 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851630 490779033 /nfs/dbraw/zinc/77/90/33/490779033.db2.gz JIZKLBNKFNMNQP-FJIDUMEYSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851630 490779036 /nfs/dbraw/zinc/77/90/36/490779036.db2.gz JIZKLBNKFNMNQP-FJIDUMEYSA-N 2 2 351.539 0.994 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514678830 490781393 /nfs/dbraw/zinc/78/13/93/490781393.db2.gz VUBHKONTLBUXSF-JKQUEYGFSA-N 2 2 374.529 0.905 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514678830 490781397 /nfs/dbraw/zinc/78/13/97/490781397.db2.gz VUBHKONTLBUXSF-JKQUEYGFSA-N 2 2 374.529 0.905 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000539462438 490784862 /nfs/dbraw/zinc/78/48/62/490784862.db2.gz SZZZRCSWRMEKBQ-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000539462438 490784865 /nfs/dbraw/zinc/78/48/65/490784865.db2.gz SZZZRCSWRMEKBQ-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000539462438 490784868 /nfs/dbraw/zinc/78/48/68/490784868.db2.gz SZZZRCSWRMEKBQ-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000539462438 490784870 /nfs/dbraw/zinc/78/48/70/490784870.db2.gz SZZZRCSWRMEKBQ-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930504 490798049 /nfs/dbraw/zinc/79/80/49/490798049.db2.gz MDYWAIXHYCINGE-QFBILLFUSA-N 3 2 360.502 0.931 20 0 FCADLP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930504 490798050 /nfs/dbraw/zinc/79/80/50/490798050.db2.gz MDYWAIXHYCINGE-QFBILLFUSA-N 2 2 360.502 0.931 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930503 490798061 /nfs/dbraw/zinc/79/80/61/490798061.db2.gz MDYWAIXHYCINGE-LPHOPBHVSA-N 3 2 360.502 0.931 20 0 FCADLP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930503 490798063 /nfs/dbraw/zinc/79/80/63/490798063.db2.gz MDYWAIXHYCINGE-LPHOPBHVSA-N 2 2 360.502 0.931 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572226821 491356612 /nfs/dbraw/zinc/35/66/12/491356612.db2.gz DAUDXMFTZLVGJB-HKUYNNGSSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572226821 491356613 /nfs/dbraw/zinc/35/66/13/491356613.db2.gz DAUDXMFTZLVGJB-HKUYNNGSSA-N 3 2 374.533 0.481 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000515003731 490802605 /nfs/dbraw/zinc/80/26/05/490802605.db2.gz GWGFSBWDQGEBKI-INIZCTEOSA-N 2 2 361.494 0.382 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)CC1 ZINC000540078990 490807661 /nfs/dbraw/zinc/80/76/61/490807661.db2.gz IGCVENPAWJFHQW-UHFFFAOYSA-N 2 2 350.385 0.151 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000557168251 491357198 /nfs/dbraw/zinc/35/71/98/491357198.db2.gz SZLIQAGBHORTKV-HOCLYGCPSA-N 2 2 351.495 0.357 20 0 FCADLP C[C@H]1[NH2+]CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)[C@H]1C ZINC000557168384 491357274 /nfs/dbraw/zinc/35/72/74/491357274.db2.gz WCJPCHQCRBMEQH-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)C[C@@H](C)O1 ZINC000515166391 490811320 /nfs/dbraw/zinc/81/13/20/490811320.db2.gz NMGSXBSRBBJBDA-NFAWXSAZSA-N 2 2 367.881 0.985 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515187276 490812539 /nfs/dbraw/zinc/81/25/39/490812539.db2.gz VXVCBSCAVMISSI-IAGOWNOFSA-N 2 2 373.501 0.121 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000515223199 490814160 /nfs/dbraw/zinc/81/41/60/490814160.db2.gz KLFSDULLNSZZNS-ZNMIVQPWSA-N 2 2 351.495 0.369 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000515223198 490814274 /nfs/dbraw/zinc/81/42/74/490814274.db2.gz KLFSDULLNSZZNS-SOUVJXGZSA-N 2 2 351.495 0.369 20 0 FCADLP CCOC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528721674 490822544 /nfs/dbraw/zinc/82/25/44/490822544.db2.gz OFGOPHQYZWQCQV-QGZVFWFLSA-N 2 2 362.474 0.858 20 0 FCADLP CCOC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528721674 490822546 /nfs/dbraw/zinc/82/25/46/490822546.db2.gz OFGOPHQYZWQCQV-QGZVFWFLSA-N 2 2 362.474 0.858 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515413108 490825130 /nfs/dbraw/zinc/82/51/30/490825130.db2.gz HXCSJPBSKTVNEY-HZPDHXFCSA-N 2 2 362.499 0.603 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000515416777 490825685 /nfs/dbraw/zinc/82/56/85/490825685.db2.gz FUNXALBEVWVPMI-QGZVFWFLSA-N 2 2 363.458 0.800 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1O ZINC000515507775 490829903 /nfs/dbraw/zinc/82/99/03/490829903.db2.gz UZRUFJCQASGERZ-IAGOWNOFSA-N 2 2 365.499 0.865 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1O ZINC000515507775 490829905 /nfs/dbraw/zinc/82/99/05/490829905.db2.gz UZRUFJCQASGERZ-IAGOWNOFSA-N 2 2 365.499 0.865 20 0 FCADLP COC[C@](C)(CNC(=O)[C@H](C)[NH+]1CC(C)C1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000565186552 491358588 /nfs/dbraw/zinc/35/85/88/491358588.db2.gz XESYTXMHVJQBSD-FCEWJHQRSA-N 2 2 368.522 0.304 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619369 490833868 /nfs/dbraw/zinc/83/38/68/490833868.db2.gz ZDPIWWJFCADMCK-HKUYNNGSSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619369 490833870 /nfs/dbraw/zinc/83/38/70/490833870.db2.gz ZDPIWWJFCADMCK-HKUYNNGSSA-N 3 2 374.533 0.481 20 0 FCADLP COc1c(C)[nH+]c(C2CC2)nc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000565219898 491360949 /nfs/dbraw/zinc/36/09/49/491360949.db2.gz ATAJKGHTOWOMFC-UHFFFAOYSA-N 2 2 363.506 1.473 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H](CO)c1cccc(F)c1)[NH+]1CCOCC1 ZINC000541026053 490846472 /nfs/dbraw/zinc/84/64/72/490846472.db2.gz RCXHNSJDUMHDNB-MRXNPFEDSA-N 2 2 353.438 0.676 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000516027854 490846614 /nfs/dbraw/zinc/84/66/14/490846614.db2.gz ZMENLQQKZVTIKE-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516057195 490847907 /nfs/dbraw/zinc/84/79/07/490847907.db2.gz ZHFVCTPNVJVMHC-QGZVFWFLSA-N 2 2 354.458 0.723 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000506031421 490848762 /nfs/dbraw/zinc/84/87/62/490848762.db2.gz KLRMYKHMKHOXDG-GJZGRUSLSA-N 2 2 362.478 0.708 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000506031421 490848764 /nfs/dbraw/zinc/84/87/64/490848764.db2.gz KLRMYKHMKHOXDG-GJZGRUSLSA-N 2 2 362.478 0.708 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529302662 490848776 /nfs/dbraw/zinc/84/87/76/490848776.db2.gz AUMAAFCWEDUDLU-AWEZNQCLSA-N 2 2 358.508 0.079 20 0 FCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000506160574 490852913 /nfs/dbraw/zinc/85/29/13/490852913.db2.gz RLYWGKICFJONHM-UHFFFAOYSA-N 2 2 372.510 0.087 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000529331436 490854009 /nfs/dbraw/zinc/85/40/09/490854009.db2.gz RTTYMFITWUIUMJ-OFQRWUPVSA-N 2 2 362.478 0.579 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000516432949 490863304 /nfs/dbraw/zinc/86/33/04/490863304.db2.gz UBRWPRQKDPGNNO-IRXDYDNUSA-N 2 2 365.522 0.714 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000541569335 490866202 /nfs/dbraw/zinc/86/62/02/490866202.db2.gz VUVMJHYNAUJXPV-OAHLLOKOSA-N 2 2 352.460 0.739 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000516553954 490867714 /nfs/dbraw/zinc/86/77/14/490867714.db2.gz AHUIVYUIMVTVMH-OCCSQVGLSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000516553954 490867715 /nfs/dbraw/zinc/86/77/15/490867715.db2.gz AHUIVYUIMVTVMH-OCCSQVGLSA-N 2 2 365.865 0.730 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cn1 ZINC000529752988 490873269 /nfs/dbraw/zinc/87/32/69/490873269.db2.gz PWOSVRZAEOMMAG-LJQANCHMSA-N 2 2 362.474 0.489 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cn1 ZINC000529752988 490873271 /nfs/dbraw/zinc/87/32/71/490873271.db2.gz PWOSVRZAEOMMAG-LJQANCHMSA-N 2 2 362.474 0.489 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000516986387 490889267 /nfs/dbraw/zinc/88/92/67/490889267.db2.gz HFCZVWKMAZIWRE-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000516986387 490889269 /nfs/dbraw/zinc/88/92/69/490889269.db2.gz HFCZVWKMAZIWRE-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000572345853 491363672 /nfs/dbraw/zinc/36/36/72/491363672.db2.gz NOIXSXOTPOHWOQ-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP c1nc2nc(=NCC[NH+]3CC=CCC3)cc(NCC[N@H+]3CC=CCC3)n2[nH]1 ZINC000530535662 490911478 /nfs/dbraw/zinc/91/14/78/490911478.db2.gz JLXKIZYMSYVOOS-UHFFFAOYSA-N 2 2 368.489 0.894 20 0 FCADLP c1nc2nc(=NCC[NH+]3CC=CCC3)cc(NCC[N@@H+]3CC=CCC3)n2[nH]1 ZINC000530535662 490911480 /nfs/dbraw/zinc/91/14/80/490911480.db2.gz JLXKIZYMSYVOOS-UHFFFAOYSA-N 2 2 368.489 0.894 20 0 FCADLP c1nc2nc(=NCC[N@H+]3CC=CCC3)cc(NCC[NH+]3CC=CCC3)n2[nH]1 ZINC000530535662 490911482 /nfs/dbraw/zinc/91/14/82/490911482.db2.gz JLXKIZYMSYVOOS-UHFFFAOYSA-N 2 2 368.489 0.894 20 0 FCADLP c1nc2nc(=NCC[N@@H+]3CC=CCC3)cc(NCC[NH+]3CC=CCC3)n2[nH]1 ZINC000530535662 490911484 /nfs/dbraw/zinc/91/14/84/490911484.db2.gz JLXKIZYMSYVOOS-UHFFFAOYSA-N 2 2 368.489 0.894 20 0 FCADLP O=C(N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530575648 490913439 /nfs/dbraw/zinc/91/34/39/490913439.db2.gz RWAUWLMVSGWICN-HXUWFJFHSA-N 2 2 369.469 0.691 20 0 FCADLP O=C(N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530575648 490913442 /nfs/dbraw/zinc/91/34/42/490913442.db2.gz RWAUWLMVSGWICN-HXUWFJFHSA-N 2 2 369.469 0.691 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C(N)=O)nc3)CC2)CC1 ZINC000530767850 490923327 /nfs/dbraw/zinc/92/33/27/490923327.db2.gz PRXWMFWDLASDLT-UHFFFAOYSA-N 2 2 374.489 0.538 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000518175658 490931848 /nfs/dbraw/zinc/93/18/48/490931848.db2.gz LMZNWXRYESAXSP-IRXDYDNUSA-N 2 2 362.474 0.372 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000518175658 490931850 /nfs/dbraw/zinc/93/18/50/490931850.db2.gz LMZNWXRYESAXSP-IRXDYDNUSA-N 2 2 362.474 0.372 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000518175658 490931853 /nfs/dbraw/zinc/93/18/53/490931853.db2.gz LMZNWXRYESAXSP-IRXDYDNUSA-N 2 2 362.474 0.372 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000531055879 490938382 /nfs/dbraw/zinc/93/83/82/490938382.db2.gz OAOHRNYBJSNUOA-LJQANCHMSA-N 2 2 357.458 0.739 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000531055879 490938384 /nfs/dbraw/zinc/93/83/84/490938384.db2.gz OAOHRNYBJSNUOA-LJQANCHMSA-N 2 2 357.458 0.739 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)ccn2)CC1 ZINC000543613778 490938560 /nfs/dbraw/zinc/93/85/60/490938560.db2.gz MBDGXNCNPDHJDG-OAHLLOKOSA-N 2 2 374.489 0.933 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)ccn2)CC1 ZINC000543613778 490938562 /nfs/dbraw/zinc/93/85/62/490938562.db2.gz MBDGXNCNPDHJDG-OAHLLOKOSA-N 2 2 374.489 0.933 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000518411947 490940424 /nfs/dbraw/zinc/94/04/24/490940424.db2.gz CEGZQODPWBIWBE-QGZVFWFLSA-N 2 2 372.535 0.168 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000518796806 490951981 /nfs/dbraw/zinc/95/19/81/490951981.db2.gz ALSFDKXOXGMFKT-IRXDYDNUSA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000518796806 490951983 /nfs/dbraw/zinc/95/19/83/490951983.db2.gz ALSFDKXOXGMFKT-IRXDYDNUSA-N 2 2 360.458 0.083 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC[N@@H+]1CCOC ZINC000519183932 490964696 /nfs/dbraw/zinc/96/46/96/490964696.db2.gz ZFASEUREWYVDQY-OAHLLOKOSA-N 2 2 351.451 0.327 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC[N@H+]1CCOC ZINC000519183932 490964697 /nfs/dbraw/zinc/96/46/97/490964697.db2.gz ZFASEUREWYVDQY-OAHLLOKOSA-N 2 2 351.451 0.327 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284157 490967513 /nfs/dbraw/zinc/96/75/13/490967513.db2.gz DLDQQEGPEAMGBO-SCTDSRPQSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284157 490967514 /nfs/dbraw/zinc/96/75/14/490967514.db2.gz DLDQQEGPEAMGBO-SCTDSRPQSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284157 490967515 /nfs/dbraw/zinc/96/75/15/490967515.db2.gz DLDQQEGPEAMGBO-SCTDSRPQSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284157 490967517 /nfs/dbraw/zinc/96/75/17/490967517.db2.gz DLDQQEGPEAMGBO-SCTDSRPQSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)C[C@H](C)O1 ZINC000544401054 490968134 /nfs/dbraw/zinc/96/81/34/490968134.db2.gz WLRASCPHQVDUEY-KBPBESRZSA-N 2 2 353.467 0.199 20 0 FCADLP CN(C(=O)[C@]1(C)CCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000544491682 490969807 /nfs/dbraw/zinc/96/98/07/490969807.db2.gz TWNWQMGWIJRZGE-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000519366326 490969997 /nfs/dbraw/zinc/96/99/97/490969997.db2.gz FTRMDHMNAQUNES-OFQRWUPVSA-N 2 2 362.478 0.723 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000519366326 490969999 /nfs/dbraw/zinc/96/99/99/490969999.db2.gz FTRMDHMNAQUNES-OFQRWUPVSA-N 2 2 362.478 0.723 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000565290436 491367654 /nfs/dbraw/zinc/36/76/54/491367654.db2.gz ULPQTCVFMQTNPP-XDNAFOTISA-N 2 2 366.506 0.792 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000565290436 491367656 /nfs/dbraw/zinc/36/76/56/491367656.db2.gz ULPQTCVFMQTNPP-XDNAFOTISA-N 2 2 366.506 0.792 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H](CO)C[NH+]1CCCCC1)n2C ZINC000565291645 491367753 /nfs/dbraw/zinc/36/77/53/491367753.db2.gz UZWMTLQPHNFTMX-ZDUSSCGKSA-N 2 2 360.462 0.611 20 0 FCADLP CC(C)OCC[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519599218 490978442 /nfs/dbraw/zinc/97/84/42/490978442.db2.gz UERPEJMLVOQFAD-QGZVFWFLSA-N 2 2 364.490 0.886 20 0 FCADLP CC(C)OCC[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519599208 490978566 /nfs/dbraw/zinc/97/85/66/490978566.db2.gz UERPEJMLVOQFAD-KRWDZBQOSA-N 2 2 364.490 0.886 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000519679423 490983737 /nfs/dbraw/zinc/98/37/37/490983737.db2.gz BSQYXTVSYNNLIE-HNNXBMFYSA-N 2 2 363.510 0.907 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000519700702 490985293 /nfs/dbraw/zinc/98/52/93/490985293.db2.gz GJRLCKPRKUPEHA-IIDMSEBBSA-N 2 2 374.489 0.913 20 0 FCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000519707502 490985772 /nfs/dbraw/zinc/98/57/72/490985772.db2.gz ARSQAKNUUYLEBO-ZWKOTPCHSA-N 2 2 374.485 0.296 20 0 FCADLP Cc1noc(C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccccc2)n1 ZINC000519756038 490988406 /nfs/dbraw/zinc/98/84/06/490988406.db2.gz OIHFWCYGEPPJSX-JKSUJKDBSA-N 2 2 358.446 0.946 20 0 FCADLP Cc1noc(C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccccc2)n1 ZINC000519756038 490988409 /nfs/dbraw/zinc/98/84/09/490988409.db2.gz OIHFWCYGEPPJSX-JKSUJKDBSA-N 2 2 358.446 0.946 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532429402 490992927 /nfs/dbraw/zinc/99/29/27/490992927.db2.gz VIFIYXACBRNYHU-IKGGRYGDSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532429402 490992928 /nfs/dbraw/zinc/99/29/28/490992928.db2.gz VIFIYXACBRNYHU-IKGGRYGDSA-N 2 2 354.495 0.650 20 0 FCADLP Cc1ccnc2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nn21 ZINC000601477473 491926078 /nfs/dbraw/zinc/92/60/78/491926078.db2.gz GHNDPQSHIBGLME-OAHLLOKOSA-N 2 2 357.462 0.673 20 0 FCADLP Cc1ccnc2nc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nn21 ZINC000601477473 491926079 /nfs/dbraw/zinc/92/60/79/491926079.db2.gz GHNDPQSHIBGLME-OAHLLOKOSA-N 2 2 357.462 0.673 20 0 FCADLP CN(C(=O)CCCN1C(=O)CCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476772 491926160 /nfs/dbraw/zinc/92/61/60/491926160.db2.gz IQBNAILGZUFOKT-INIZCTEOSA-N 2 2 364.490 0.543 20 0 FCADLP CN(C(=O)CCCN1C(=O)CCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476772 491926162 /nfs/dbraw/zinc/92/61/62/491926162.db2.gz IQBNAILGZUFOKT-INIZCTEOSA-N 2 2 364.490 0.543 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n1C ZINC000602009502 491957060 /nfs/dbraw/zinc/95/70/60/491957060.db2.gz WWBWNXTWIYLGGO-HNNXBMFYSA-N 2 2 350.463 0.308 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000602283671 491976380 /nfs/dbraw/zinc/97/63/80/491976380.db2.gz SRXMWNCNDJIRJE-ZDUSSCGKSA-N 2 2 371.441 0.860 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000602283671 491976383 /nfs/dbraw/zinc/97/63/83/491976383.db2.gz SRXMWNCNDJIRJE-ZDUSSCGKSA-N 2 2 371.441 0.860 20 0 FCADLP CC(C)[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)NC(=O)Cc1c[nH+]cn1C ZINC000683136521 493334826 /nfs/dbraw/zinc/33/48/26/493334826.db2.gz QBMZBKJGONVCIZ-MRXNPFEDSA-N 2 2 360.462 0.538 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000569481564 491163344 /nfs/dbraw/zinc/16/33/44/491163344.db2.gz KQIXAMKDQUUFSL-SFHVURJKSA-N 2 2 374.485 0.598 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C(=O)NC2CC2)CCC1 ZINC000569516402 491165532 /nfs/dbraw/zinc/16/55/32/491165532.db2.gz COGPIVMWBMGPSA-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C(=O)NC2CC2)CCC1 ZINC000569516402 491165535 /nfs/dbraw/zinc/16/55/35/491165535.db2.gz COGPIVMWBMGPSA-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)C1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000557384737 491371565 /nfs/dbraw/zinc/37/15/65/491371565.db2.gz GJDJPRGXRJJQEL-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000557384738 491371587 /nfs/dbraw/zinc/37/15/87/491371587.db2.gz GJDJPRGXRJJQEL-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000572467398 491371894 /nfs/dbraw/zinc/37/18/94/491371894.db2.gz LDXFOWOGQSXOHD-HZPDHXFCSA-N 2 2 366.506 0.524 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000572467399 491372033 /nfs/dbraw/zinc/37/20/33/491372033.db2.gz LDXFOWOGQSXOHD-JKSUJKDBSA-N 2 2 366.506 0.524 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000572517501 491375828 /nfs/dbraw/zinc/37/58/28/491375828.db2.gz UXHSGNHXXIEUDU-ZFWWWQNUSA-N 2 2 357.462 0.920 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000557583493 491385293 /nfs/dbraw/zinc/38/52/93/491385293.db2.gz UXPQSGJETFHPNX-DLBZAZTESA-N 2 2 373.501 0.769 20 0 FCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000565647579 491390753 /nfs/dbraw/zinc/39/07/53/491390753.db2.gz UVTCQPRXKPVAFQ-QGZVFWFLSA-N 2 2 361.490 0.616 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557703601 491392214 /nfs/dbraw/zinc/39/22/14/491392214.db2.gz FCWKWLVYYFRUQL-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557703601 491392217 /nfs/dbraw/zinc/39/22/17/491392217.db2.gz FCWKWLVYYFRUQL-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000557704731 491392365 /nfs/dbraw/zinc/39/23/65/491392365.db2.gz JVVVEULLLMBTSE-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000557706756 491392602 /nfs/dbraw/zinc/39/26/02/491392602.db2.gz OZUSSHBGZYYNNH-XHSDSOJGSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000557706756 491392604 /nfs/dbraw/zinc/39/26/04/491392604.db2.gz OZUSSHBGZYYNNH-XHSDSOJGSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000557706753 491392710 /nfs/dbraw/zinc/39/27/10/491392710.db2.gz OZUSSHBGZYYNNH-JYJNAYRXSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000557706753 491392712 /nfs/dbraw/zinc/39/27/12/491392712.db2.gz OZUSSHBGZYYNNH-JYJNAYRXSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572823333 491395920 /nfs/dbraw/zinc/39/59/20/491395920.db2.gz XJDOYLUACQCQCH-CJNGLKHVSA-N 2 2 350.488 0.507 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000565788549 491399865 /nfs/dbraw/zinc/39/98/65/491399865.db2.gz UHPRBXKYAXKBJM-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000572951407 491403229 /nfs/dbraw/zinc/40/32/29/491403229.db2.gz NPUOJOBMEPCALR-KURKYZTESA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000572951407 491403231 /nfs/dbraw/zinc/40/32/31/491403231.db2.gz NPUOJOBMEPCALR-KURKYZTESA-N 2 2 356.470 0.570 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@]3(C)CCC[NH2+]C3)ccn2)CC1 ZINC000565880252 491404931 /nfs/dbraw/zinc/40/49/31/491404931.db2.gz HOKPSPALHICGPZ-IBGZPJMESA-N 2 2 374.489 0.980 20 0 FCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000557920056 491404966 /nfs/dbraw/zinc/40/49/66/491404966.db2.gz NBCOBVIAKUOJBO-HZPDHXFCSA-N 2 2 370.563 0.825 20 0 FCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000557920056 491404967 /nfs/dbraw/zinc/40/49/67/491404967.db2.gz NBCOBVIAKUOJBO-HZPDHXFCSA-N 2 2 370.563 0.825 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000572990497 491405796 /nfs/dbraw/zinc/40/57/96/491405796.db2.gz CGXANMPRIDOUGI-CADBVGFASA-N 3 2 364.534 0.820 20 0 FCADLP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000573004378 491406638 /nfs/dbraw/zinc/40/66/38/491406638.db2.gz ZEKRCQMLJYHLJJ-SJORKVTESA-N 2 2 372.469 0.084 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1S(N)(=O)=O ZINC000573001352 491406916 /nfs/dbraw/zinc/40/69/16/491406916.db2.gz NCOQKRUXTFJJGM-NWANDNLSSA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1S(N)(=O)=O ZINC000573001352 491406917 /nfs/dbraw/zinc/40/69/17/491406917.db2.gz NCOQKRUXTFJJGM-NWANDNLSSA-N 2 2 366.487 0.640 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[NH+]1CCOCC1 ZINC000566018410 491413127 /nfs/dbraw/zinc/41/31/27/491413127.db2.gz CSUXDCDGVQPPQG-KURKYZTESA-N 2 2 352.523 0.724 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)C[C@H](C)O1 ZINC000566106382 491417866 /nfs/dbraw/zinc/41/78/66/491417866.db2.gz NZRCLHMAEXEGMO-SOLBZPMBSA-N 2 2 364.490 0.478 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)C[C@H](C)O1 ZINC000566106382 491417869 /nfs/dbraw/zinc/41/78/69/491417869.db2.gz NZRCLHMAEXEGMO-SOLBZPMBSA-N 2 2 364.490 0.478 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000573197557 491418201 /nfs/dbraw/zinc/41/82/01/491418201.db2.gz IBLOPENVXYCZRR-RDJZCZTQSA-N 2 2 366.531 0.710 20 0 FCADLP O=C(N1CC[NH+](Cc2cccnc2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000573207705 491419221 /nfs/dbraw/zinc/41/92/21/491419221.db2.gz HRYVGIQQGSLKDL-UHFFFAOYSA-N 2 2 354.458 0.701 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558235445 491421717 /nfs/dbraw/zinc/42/17/17/491421717.db2.gz FTJNQUPZKNTUGI-ZACQAIPSSA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558235445 491421718 /nfs/dbraw/zinc/42/17/18/491421718.db2.gz FTJNQUPZKNTUGI-ZACQAIPSSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000566168890 491422551 /nfs/dbraw/zinc/42/25/51/491422551.db2.gz WUVBGALOHPOEKU-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000566179591 491423205 /nfs/dbraw/zinc/42/32/05/491423205.db2.gz QGGOWSUVMLKRCV-CABCVRRESA-N 2 2 362.449 0.698 20 0 FCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3nnnc3C[NH3+])CC2)cc1 ZINC000566184138 491423695 /nfs/dbraw/zinc/42/36/95/491423695.db2.gz ZFTRNKZEIYEMBG-UHFFFAOYSA-N 2 2 357.462 0.600 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000573320088 491426014 /nfs/dbraw/zinc/42/60/14/491426014.db2.gz JGXVGIUUJRVDLB-UHFFFAOYSA-N 2 2 356.492 0.996 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000573320088 491426016 /nfs/dbraw/zinc/42/60/16/491426016.db2.gz JGXVGIUUJRVDLB-UHFFFAOYSA-N 2 2 356.492 0.996 20 0 FCADLP CN(C(=O)C1CC2(CC2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371642 493342320 /nfs/dbraw/zinc/34/23/20/493342320.db2.gz UZIXRLDRWPRVAK-UHFFFAOYSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1cc[nH+]c1 ZINC000558374457 491428178 /nfs/dbraw/zinc/42/81/78/491428178.db2.gz ZSTJNMRJENFACO-ILXRZTDVSA-N 2 2 356.430 0.620 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000566245880 491430180 /nfs/dbraw/zinc/43/01/80/491430180.db2.gz XSDXNIWVOKBANK-SQNIBIBYSA-N 2 2 367.515 0.417 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000566245880 491430181 /nfs/dbraw/zinc/43/01/81/491430181.db2.gz XSDXNIWVOKBANK-SQNIBIBYSA-N 2 2 367.515 0.417 20 0 FCADLP O=C(CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)NCC[NH+]1CCCCCC1 ZINC000573398051 491431208 /nfs/dbraw/zinc/43/12/08/491431208.db2.gz XDESIPJHUXESTC-OAHLLOKOSA-N 2 2 362.478 0.489 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428733 491432544 /nfs/dbraw/zinc/43/25/44/491432544.db2.gz RNMJTXPDVNJKCF-RTBURBONSA-N 2 2 360.502 0.722 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428733 491432546 /nfs/dbraw/zinc/43/25/46/491432546.db2.gz RNMJTXPDVNJKCF-RTBURBONSA-N 2 2 360.502 0.722 20 0 FCADLP CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000573446334 491433788 /nfs/dbraw/zinc/43/37/88/491433788.db2.gz YMWIKHONWXLHHO-QGZVFWFLSA-N 3 2 367.538 0.057 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC[S@@]1=O ZINC000566300440 491433869 /nfs/dbraw/zinc/43/38/69/491433869.db2.gz LBBIBIXTDAHLFZ-OOGSEDQNSA-N 2 2 360.483 0.781 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC[S@]1=O ZINC000566300439 491433967 /nfs/dbraw/zinc/43/39/67/491433967.db2.gz LBBIBIXTDAHLFZ-VOAUIHGOSA-N 2 2 360.483 0.781 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccn12 ZINC000566442748 491444272 /nfs/dbraw/zinc/44/42/72/491444272.db2.gz UPVTVZRHBRYBGL-MRXNPFEDSA-N 2 2 371.441 0.306 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000566466832 491446233 /nfs/dbraw/zinc/44/62/33/491446233.db2.gz RKVLTFCFRCYTAX-UHFFFAOYSA-N 2 2 350.511 0.591 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000573667389 491447001 /nfs/dbraw/zinc/44/70/01/491447001.db2.gz HTLKGLXHLQEUFO-JZXOWHBKSA-N 2 2 368.547 0.882 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000566497222 491448826 /nfs/dbraw/zinc/44/88/26/491448826.db2.gz YAKRVVNSPSQLFK-ZNMIVQPWSA-N 2 2 373.457 0.584 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000566497222 491448828 /nfs/dbraw/zinc/44/88/28/491448828.db2.gz YAKRVVNSPSQLFK-ZNMIVQPWSA-N 2 2 373.457 0.584 20 0 FCADLP Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)O2)n1 ZINC000566614849 491456285 /nfs/dbraw/zinc/45/62/85/491456285.db2.gz BCBKPZPPVKMCAN-DEDQRHPVSA-N 2 2 354.451 0.658 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573898481 491461700 /nfs/dbraw/zinc/46/17/00/491461700.db2.gz ZMPUHYCOTFSFFX-INIZCTEOSA-N 2 2 361.494 0.334 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573898481 491461703 /nfs/dbraw/zinc/46/17/03/491461703.db2.gz ZMPUHYCOTFSFFX-INIZCTEOSA-N 2 2 361.494 0.334 20 0 FCADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000566732311 491463192 /nfs/dbraw/zinc/46/31/92/491463192.db2.gz XNUYIMYCINZIAO-IAGOWNOFSA-N 2 2 359.536 0.793 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000573928366 491463364 /nfs/dbraw/zinc/46/33/64/491463364.db2.gz OWBUBRCLTSIIJH-QGZVFWFLSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000573928366 491463368 /nfs/dbraw/zinc/46/33/68/491463368.db2.gz OWBUBRCLTSIIJH-QGZVFWFLSA-N 2 2 368.522 0.849 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660337239 493344595 /nfs/dbraw/zinc/34/45/95/493344595.db2.gz SRSXUWCVHZZGCF-KRWDZBQOSA-N 2 2 353.511 0.130 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660337239 493344598 /nfs/dbraw/zinc/34/45/98/493344598.db2.gz SRSXUWCVHZZGCF-KRWDZBQOSA-N 2 2 353.511 0.130 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[NH2+]C(C)(C)C3)ccn2)CC1 ZINC000566785388 491466448 /nfs/dbraw/zinc/46/64/48/491466448.db2.gz LAYNLGUZHBOVAJ-UHFFFAOYSA-N 2 2 360.462 0.685 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1C ZINC000559360641 491466872 /nfs/dbraw/zinc/46/68/72/491466872.db2.gz MKIHDHOUSYUMDZ-HUUCEWRRSA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000559360641 491466874 /nfs/dbraw/zinc/46/68/74/491466874.db2.gz MKIHDHOUSYUMDZ-HUUCEWRRSA-N 2 2 350.463 0.797 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000559364775 491467645 /nfs/dbraw/zinc/46/76/45/491467645.db2.gz SCRKIADHWHNWEI-UHFFFAOYSA-N 2 2 363.384 0.862 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000566845840 491470268 /nfs/dbraw/zinc/47/02/68/491470268.db2.gz BXUQLQNKAFTGPB-RRQGHBQHSA-N 2 2 363.506 0.369 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574036486 491470570 /nfs/dbraw/zinc/47/05/70/491470570.db2.gz TUTURADAHDXNRA-DOTOQJQBSA-N 2 2 369.473 0.944 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000559435178 491472959 /nfs/dbraw/zinc/47/29/59/491472959.db2.gz YOCFHZHWXXWUJZ-QGZVFWFLSA-N 2 2 355.442 0.638 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000559435178 491472961 /nfs/dbraw/zinc/47/29/61/491472961.db2.gz YOCFHZHWXXWUJZ-QGZVFWFLSA-N 2 2 355.442 0.638 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000559550542 491480300 /nfs/dbraw/zinc/48/03/00/491480300.db2.gz MVTYDKLKHWCBNK-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636431 491488384 /nfs/dbraw/zinc/48/83/84/491488384.db2.gz BIUMYXLEBFUIIO-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636431 491488385 /nfs/dbraw/zinc/48/83/85/491488385.db2.gz BIUMYXLEBFUIIO-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636431 491488386 /nfs/dbraw/zinc/48/83/86/491488386.db2.gz BIUMYXLEBFUIIO-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636431 491488387 /nfs/dbraw/zinc/48/83/87/491488387.db2.gz BIUMYXLEBFUIIO-GOSISDBHSA-N 2 2 367.465 0.913 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c[nH+]1 ZINC000559769205 491498530 /nfs/dbraw/zinc/49/85/30/491498530.db2.gz NMTBCMFRYYPEHI-OAHLLOKOSA-N 2 2 356.430 0.652 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000574504214 491500982 /nfs/dbraw/zinc/50/09/82/491500982.db2.gz VPEFJJRTZLHMFL-MRXNPFEDSA-N 3 2 361.494 0.347 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000574504214 491500983 /nfs/dbraw/zinc/50/09/83/491500983.db2.gz VPEFJJRTZLHMFL-MRXNPFEDSA-N 3 2 361.494 0.347 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000567364809 491502135 /nfs/dbraw/zinc/50/21/35/491502135.db2.gz VIYJUHDPYOBXNL-GOSISDBHSA-N 2 2 352.523 0.772 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)c1 ZINC000574630003 491509690 /nfs/dbraw/zinc/50/96/90/491509690.db2.gz NCSHWJJJZFEPDC-IPMKNSEASA-N 2 2 370.497 0.835 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528109 491512458 /nfs/dbraw/zinc/51/24/58/491512458.db2.gz KKFVDLPIZKCISE-NVXWUHKLSA-N 2 2 366.506 0.226 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528109 491512461 /nfs/dbraw/zinc/51/24/61/491512461.db2.gz KKFVDLPIZKCISE-NVXWUHKLSA-N 2 2 366.506 0.226 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000567691561 491523017 /nfs/dbraw/zinc/52/30/17/491523017.db2.gz ZOECEGVDKARYDN-DLBZAZTESA-N 2 2 350.463 0.220 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000567691561 491523020 /nfs/dbraw/zinc/52/30/20/491523020.db2.gz ZOECEGVDKARYDN-DLBZAZTESA-N 2 2 350.463 0.220 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000574906643 491526571 /nfs/dbraw/zinc/52/65/71/491526571.db2.gz YYAPLHFKKANGNN-SMDDNHRTSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000574906643 491526572 /nfs/dbraw/zinc/52/65/72/491526572.db2.gz YYAPLHFKKANGNN-SMDDNHRTSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000574906640 491526609 /nfs/dbraw/zinc/52/66/09/491526609.db2.gz YYAPLHFKKANGNN-BXUZGUMPSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000574906640 491526610 /nfs/dbraw/zinc/52/66/10/491526610.db2.gz YYAPLHFKKANGNN-BXUZGUMPSA-N 2 2 367.400 0.354 20 0 FCADLP O=C1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@@H](C2CC2)N1 ZINC000560264397 491527040 /nfs/dbraw/zinc/52/70/40/491527040.db2.gz AKMOFIAXEWWTRM-PKOBYXMFSA-N 2 2 350.507 0.430 20 0 FCADLP O=C1CC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@@H](C2CC2)N1 ZINC000560264397 491527042 /nfs/dbraw/zinc/52/70/42/491527042.db2.gz AKMOFIAXEWWTRM-PKOBYXMFSA-N 2 2 350.507 0.430 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC(=O)N1C ZINC000560357490 491533998 /nfs/dbraw/zinc/53/39/98/491533998.db2.gz OUSBYFBRCKNOCI-TTZDDIAXSA-N 2 2 368.503 0.885 20 0 FCADLP [NH3+]C1(CNC(=O)[C@@H]2CCS(=O)(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000567841389 491534113 /nfs/dbraw/zinc/53/41/13/491534113.db2.gz ARMQMPNCVQKTTN-MRXNPFEDSA-N 2 2 365.499 0.531 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000567845098 491534728 /nfs/dbraw/zinc/53/47/28/491534728.db2.gz JYOCDNRHPNUVQE-QAPCUYQASA-N 2 2 363.481 0.356 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H]3[NH2+]CC[C@@H]3C1)C2 ZINC000567889909 491538649 /nfs/dbraw/zinc/53/86/49/491538649.db2.gz JMQCKPSHBZCIQW-KGLIPLIRSA-N 2 2 359.474 0.639 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000560419473 491539042 /nfs/dbraw/zinc/53/90/42/491539042.db2.gz YVPKXIFVBLDEHX-MRXNPFEDSA-N 2 2 364.494 1.163 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000560419473 491539044 /nfs/dbraw/zinc/53/90/44/491539044.db2.gz YVPKXIFVBLDEHX-MRXNPFEDSA-N 2 2 364.494 1.163 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000567893537 491539065 /nfs/dbraw/zinc/53/90/65/491539065.db2.gz OAIHXQBULWGXFE-OAHLLOKOSA-N 2 2 350.467 0.142 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)C1)[NH+]1CCOCC1 ZINC000567893537 491539066 /nfs/dbraw/zinc/53/90/66/491539066.db2.gz OAIHXQBULWGXFE-OAHLLOKOSA-N 2 2 350.467 0.142 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567904597 491539981 /nfs/dbraw/zinc/53/99/81/491539981.db2.gz FQSDWVWUFQLHCF-SJORKVTESA-N 2 2 364.515 0.455 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000560558442 491545055 /nfs/dbraw/zinc/54/50/55/491545055.db2.gz KBLGDDCAUVBNEO-SJORKVTESA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000560558442 491545056 /nfs/dbraw/zinc/54/50/56/491545056.db2.gz KBLGDDCAUVBNEO-SJORKVTESA-N 2 2 365.522 0.807 20 0 FCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000568057429 491550701 /nfs/dbraw/zinc/55/07/01/491550701.db2.gz SDTZVAIJZRFDHK-RYTJFDOTSA-N 2 2 373.505 0.414 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000568061275 491550998 /nfs/dbraw/zinc/55/09/98/491550998.db2.gz ZWPCOYRBRSVCEE-SJORKVTESA-N 2 2 373.501 0.121 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](O)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575435634 491554847 /nfs/dbraw/zinc/55/48/47/491554847.db2.gz YHHSUGFQSIAELA-QGZVFWFLSA-N 2 2 353.507 0.985 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](O)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000575435634 491554848 /nfs/dbraw/zinc/55/48/48/491554848.db2.gz YHHSUGFQSIAELA-QGZVFWFLSA-N 2 2 353.507 0.985 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598446 493349884 /nfs/dbraw/zinc/34/98/84/493349884.db2.gz NBIDXTFSKMVRMJ-SJORKVTESA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673598446 493349888 /nfs/dbraw/zinc/34/98/88/493349888.db2.gz NBIDXTFSKMVRMJ-SJORKVTESA-N 2 2 368.522 0.401 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000568249426 491562061 /nfs/dbraw/zinc/56/20/61/491562061.db2.gz QDEQYGOYJZOFPK-HZPDHXFCSA-N 3 2 367.519 0.393 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000560903277 491563745 /nfs/dbraw/zinc/56/37/45/491563745.db2.gz UTSUXEMSPQONGK-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000560903277 491563746 /nfs/dbraw/zinc/56/37/46/491563746.db2.gz UTSUXEMSPQONGK-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000568267342 491564666 /nfs/dbraw/zinc/56/46/66/491564666.db2.gz FGCQWKBVUDCJJY-AEFFLSMTSA-N 2 2 374.485 0.384 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000568267342 491564667 /nfs/dbraw/zinc/56/46/67/491564667.db2.gz FGCQWKBVUDCJJY-AEFFLSMTSA-N 2 2 374.485 0.384 20 0 FCADLP C[C@H]1C[NH+](CCOC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000560973398 491567997 /nfs/dbraw/zinc/56/79/97/491567997.db2.gz HMWBCRQXDNRWRI-HOTGVXAUSA-N 2 2 350.463 1.000 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418907 493351028 /nfs/dbraw/zinc/35/10/28/493351028.db2.gz PFNDTWVZWIGPRZ-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418907 493351030 /nfs/dbraw/zinc/35/10/30/493351030.db2.gz PFNDTWVZWIGPRZ-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418907 493351034 /nfs/dbraw/zinc/35/10/34/493351034.db2.gz PFNDTWVZWIGPRZ-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418907 493351035 /nfs/dbraw/zinc/35/10/35/493351035.db2.gz PFNDTWVZWIGPRZ-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000575900240 491568671 /nfs/dbraw/zinc/56/86/71/491568671.db2.gz SDXJWBGVBTWJHJ-ROUUACIJSA-N 2 2 373.501 0.504 20 0 FCADLP CC1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[NH2+]CC1 ZINC000560997320 491568859 /nfs/dbraw/zinc/56/88/59/491568859.db2.gz DWRSJXLKTFWZCL-UHFFFAOYSA-N 2 2 350.467 0.727 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2CCN(CC(F)(F)F)CC2)[C@H](C[NH3+])C1 ZINC000568371753 491572160 /nfs/dbraw/zinc/57/21/60/491572160.db2.gz TTYVQZNVGWFPCJ-CYBMUJFWSA-N 2 2 351.417 0.545 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2CCN(CC(F)(F)F)CC2)[C@H](C[NH3+])C1 ZINC000568371753 491572162 /nfs/dbraw/zinc/57/21/62/491572162.db2.gz TTYVQZNVGWFPCJ-CYBMUJFWSA-N 2 2 351.417 0.545 20 0 FCADLP COc1ccnc(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)n1 ZINC000568399401 491574812 /nfs/dbraw/zinc/57/48/12/491574812.db2.gz MMLCHFAZSHVUSY-INIZCTEOSA-N 2 2 366.425 0.916 20 0 FCADLP CN(C)c1noc(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)n1 ZINC000576043760 491577764 /nfs/dbraw/zinc/57/77/64/491577764.db2.gz ZLILYOOWSJIRDJ-HNNXBMFYSA-N 2 2 369.429 0.567 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568486969 491579629 /nfs/dbraw/zinc/57/96/29/491579629.db2.gz QDFXBMLAZWHTQB-AWEZNQCLSA-N 2 2 360.458 0.450 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)nc(NC)n3)CC2)CC1 ZINC000568499157 491580616 /nfs/dbraw/zinc/58/06/16/491580616.db2.gz KJKLWPDOBLFTOU-UHFFFAOYSA-N 2 2 360.506 1.459 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)nc(NC)n3)CC2)CC1 ZINC000568499157 491580617 /nfs/dbraw/zinc/58/06/17/491580617.db2.gz KJKLWPDOBLFTOU-UHFFFAOYSA-N 2 2 360.506 1.459 20 0 FCADLP CCN(CC1CC1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000584367475 491584279 /nfs/dbraw/zinc/58/42/79/491584279.db2.gz RVIQAJCQFFHPLJ-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000577054389 491584503 /nfs/dbraw/zinc/58/45/03/491584503.db2.gz GNRPKOVIPSJFRH-HZPDHXFCSA-N 2 2 367.519 0.121 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584399758 491586618 /nfs/dbraw/zinc/58/66/18/491586618.db2.gz QJEKAQDECWWHPO-CVEARBPZSA-N 2 2 361.494 0.510 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577076741 491587104 /nfs/dbraw/zinc/58/71/04/491587104.db2.gz CWJQWUWATPGZTN-DLEVPPGRSA-N 2 2 360.502 0.704 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577076741 491587107 /nfs/dbraw/zinc/58/71/07/491587107.db2.gz CWJQWUWATPGZTN-DLEVPPGRSA-N 2 2 360.502 0.704 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000584410942 491587688 /nfs/dbraw/zinc/58/76/88/491587688.db2.gz ZATJLDAYGIJCLK-IRXDYDNUSA-N 2 2 350.507 0.681 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000577084840 491588355 /nfs/dbraw/zinc/58/83/55/491588355.db2.gz QGAJJLZSSNHXMR-IAGOWNOFSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000561273157 491592004 /nfs/dbraw/zinc/59/20/04/491592004.db2.gz AGRCUUKIVYPNQC-UONOGXRCSA-N 2 2 361.471 0.795 20 0 FCADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000561278823 491593530 /nfs/dbraw/zinc/59/35/30/491593530.db2.gz BISWSNONPIZWNL-GDBMZVCRSA-N 2 2 363.458 0.555 20 0 FCADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000561278823 491593533 /nfs/dbraw/zinc/59/35/33/491593533.db2.gz BISWSNONPIZWNL-GDBMZVCRSA-N 2 2 363.458 0.555 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000561337701 491598225 /nfs/dbraw/zinc/59/82/25/491598225.db2.gz QDDKBORQAGQUQY-XHSDSOJGSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000561337701 491598226 /nfs/dbraw/zinc/59/82/26/491598226.db2.gz QDDKBORQAGQUQY-XHSDSOJGSA-N 2 2 354.495 0.010 20 0 FCADLP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000568734116 491604912 /nfs/dbraw/zinc/60/49/12/491604912.db2.gz XVLVEKNBDSREMB-MRXNPFEDSA-N 2 2 372.469 0.594 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000561424738 491607304 /nfs/dbraw/zinc/60/73/04/491607304.db2.gz AAECBXOUEMYTRO-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000561424738 491607305 /nfs/dbraw/zinc/60/73/05/491607305.db2.gz AAECBXOUEMYTRO-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000561424738 491607307 /nfs/dbraw/zinc/60/73/07/491607307.db2.gz AAECBXOUEMYTRO-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000561424738 491607308 /nfs/dbraw/zinc/60/73/08/491607308.db2.gz AAECBXOUEMYTRO-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000561426433 491607917 /nfs/dbraw/zinc/60/79/17/491607917.db2.gz YWUJFMOMMJAFMG-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000561426433 491607918 /nfs/dbraw/zinc/60/79/18/491607918.db2.gz YWUJFMOMMJAFMG-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000577278273 491609220 /nfs/dbraw/zinc/60/92/20/491609220.db2.gz ZXKSUXQYOQAMDZ-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000576386722 491610200 /nfs/dbraw/zinc/61/02/00/491610200.db2.gz SXNSQNYZAWHAKC-RHSMWYFYSA-N 2 2 353.488 0.795 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000576388760 491610331 /nfs/dbraw/zinc/61/03/31/491610331.db2.gz FGPLEYUCZOUIQF-RBUKOAKNSA-N 2 2 370.497 0.850 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)CCC2 ZINC000568808986 491611185 /nfs/dbraw/zinc/61/11/85/491611185.db2.gz UTJZQWMTBVDEME-OAHLLOKOSA-N 2 2 358.446 0.930 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576409185 491612712 /nfs/dbraw/zinc/61/27/12/491612712.db2.gz XPGGBQBZEXLCLX-LSDHHAIUSA-N 2 2 371.441 0.876 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576416235 491613376 /nfs/dbraw/zinc/61/33/76/491613376.db2.gz NMOHDGHGGZBKBK-OAHLLOKOSA-N 2 2 370.461 0.059 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000561539425 491615233 /nfs/dbraw/zinc/61/52/33/491615233.db2.gz OQLYSXNKVZUSTP-YJBOKZPZSA-N 2 2 365.478 0.737 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000561539425 491615237 /nfs/dbraw/zinc/61/52/37/491615237.db2.gz OQLYSXNKVZUSTP-YJBOKZPZSA-N 2 2 365.478 0.737 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000577399745 491619093 /nfs/dbraw/zinc/61/90/93/491619093.db2.gz NYZJXVWDQBELQW-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000561623312 491621569 /nfs/dbraw/zinc/62/15/69/491621569.db2.gz KOZOUBNJYJSETB-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522584 491622250 /nfs/dbraw/zinc/62/22/50/491622250.db2.gz SVEMMTZOFNDIIA-MBOZVWFJSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522584 491622251 /nfs/dbraw/zinc/62/22/51/491622251.db2.gz SVEMMTZOFNDIIA-MBOZVWFJSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568976753 491624004 /nfs/dbraw/zinc/62/40/04/491624004.db2.gz GMGQIDLPMBSCLC-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568976753 491624005 /nfs/dbraw/zinc/62/40/05/491624005.db2.gz GMGQIDLPMBSCLC-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000561742192 491628621 /nfs/dbraw/zinc/62/86/21/491628621.db2.gz DETUZWVKKOLLHR-UHFFFAOYSA-N 2 2 374.445 0.030 20 0 FCADLP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n(C)n1 ZINC000569095652 491633005 /nfs/dbraw/zinc/63/30/05/491633005.db2.gz HEVWFFIUTPWKAO-MHORFTMASA-N 2 2 365.522 0.757 20 0 FCADLP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n(C)n1 ZINC000569095652 491633007 /nfs/dbraw/zinc/63/30/07/491633007.db2.gz HEVWFFIUTPWKAO-MHORFTMASA-N 2 2 365.522 0.757 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577637704 491639020 /nfs/dbraw/zinc/63/90/20/491639020.db2.gz BGLCPDRTGFIYBS-LMMKCTJWSA-N 3 2 353.470 0.869 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000576730344 491640557 /nfs/dbraw/zinc/64/05/57/491640557.db2.gz XLUGMTOIDRXHIJ-MRXNPFEDSA-N 2 2 365.522 0.986 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000576750591 491641730 /nfs/dbraw/zinc/64/17/30/491641730.db2.gz GQCXKSIUCZEBEM-CYBMUJFWSA-N 2 2 351.476 0.936 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCOCC1 ZINC000577697642 491643585 /nfs/dbraw/zinc/64/35/85/491643585.db2.gz IOZFASZHXBOZQW-DJIMGWMZSA-N 2 2 351.491 0.761 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000561994984 491645200 /nfs/dbraw/zinc/64/52/00/491645200.db2.gz AAIJOJDJHIYIRI-GDBMZVCRSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000561994984 491645204 /nfs/dbraw/zinc/64/52/04/491645204.db2.gz AAIJOJDJHIYIRI-GDBMZVCRSA-N 2 2 364.515 0.991 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000561998064 491645446 /nfs/dbraw/zinc/64/54/46/491645446.db2.gz BVUUUQUTGKADRK-GDBMZVCRSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000561998064 491645447 /nfs/dbraw/zinc/64/54/47/491645447.db2.gz BVUUUQUTGKADRK-GDBMZVCRSA-N 2 2 359.474 0.869 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000577727137 491646367 /nfs/dbraw/zinc/64/63/67/491646367.db2.gz CRUWMQLWGWEPLL-OWCLPIDISA-N 2 2 354.495 0.236 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000576863726 491651981 /nfs/dbraw/zinc/65/19/81/491651981.db2.gz PBLSYFAJMBPHKV-CQSZACIVSA-N 2 2 353.488 0.597 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)CC2)cc[nH+]1 ZINC000660517031 493358557 /nfs/dbraw/zinc/35/85/57/493358557.db2.gz GQRIWHUSNBIRCS-INIZCTEOSA-N 2 2 374.489 0.423 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000569452801 491663013 /nfs/dbraw/zinc/66/30/13/491663013.db2.gz OVNSYCYKPKUQOI-MRXNPFEDSA-N 2 2 354.401 0.633 20 0 FCADLP COCCC(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000577977962 491666633 /nfs/dbraw/zinc/66/66/33/491666633.db2.gz FUWWYIVWGWCLJQ-UHFFFAOYSA-N 2 2 370.538 0.650 20 0 FCADLP COCCC(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577977962 491666634 /nfs/dbraw/zinc/66/66/34/491666634.db2.gz FUWWYIVWGWCLJQ-UHFFFAOYSA-N 2 2 370.538 0.650 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC000577998256 491667145 /nfs/dbraw/zinc/66/71/45/491667145.db2.gz DLXRHFIJENGFOG-UHFFFAOYSA-N 2 2 362.474 0.903 20 0 FCADLP Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000578013628 491668045 /nfs/dbraw/zinc/66/80/45/491668045.db2.gz WERRXUVCDDZXSD-GOSISDBHSA-N 2 2 360.502 0.812 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000578051352 491668855 /nfs/dbraw/zinc/66/88/55/491668855.db2.gz SCUZGMMXYZIJSR-IBGZPJMESA-N 3 2 374.533 0.483 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000578051352 491668856 /nfs/dbraw/zinc/66/88/56/491668856.db2.gz SCUZGMMXYZIJSR-IBGZPJMESA-N 3 2 374.533 0.483 20 0 FCADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000578237832 491672860 /nfs/dbraw/zinc/67/28/60/491672860.db2.gz RJWHMTLINMLVEP-KBPBESRZSA-N 2 2 370.475 0.101 20 0 FCADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000578237832 491672861 /nfs/dbraw/zinc/67/28/61/491672861.db2.gz RJWHMTLINMLVEP-KBPBESRZSA-N 2 2 370.475 0.101 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCSCC1 ZINC000578286925 491673981 /nfs/dbraw/zinc/67/39/81/491673981.db2.gz OUHPMIKQNIWFDZ-HNNXBMFYSA-N 2 2 367.519 0.648 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000578286925 491673982 /nfs/dbraw/zinc/67/39/82/491673982.db2.gz OUHPMIKQNIWFDZ-HNNXBMFYSA-N 2 2 367.519 0.648 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000578530178 491679125 /nfs/dbraw/zinc/67/91/25/491679125.db2.gz UCPAEQAXDHKHIO-XHSDSOJGSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@H](c1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000578528027 491679155 /nfs/dbraw/zinc/67/91/55/491679155.db2.gz XNZTUHMZGFUYEL-RHSMWYFYSA-N 2 2 360.458 0.887 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000578624347 491681053 /nfs/dbraw/zinc/68/10/53/491681053.db2.gz ADXPBDWBVVATPX-HNNXBMFYSA-N 2 2 352.866 0.951 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000578624347 491681054 /nfs/dbraw/zinc/68/10/54/491681054.db2.gz ADXPBDWBVVATPX-HNNXBMFYSA-N 2 2 352.866 0.951 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000578675571 491682226 /nfs/dbraw/zinc/68/22/26/491682226.db2.gz IMHTVJIMNKXXAV-CVEARBPZSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H](C)O1 ZINC000579345819 491695954 /nfs/dbraw/zinc/69/59/54/491695954.db2.gz PCQPUZTVZYHYET-XWTMOSNGSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H](C)O1 ZINC000579345819 491695955 /nfs/dbraw/zinc/69/59/55/491695955.db2.gz PCQPUZTVZYHYET-XWTMOSNGSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579469003 491698488 /nfs/dbraw/zinc/69/84/88/491698488.db2.gz PHGHOSMZJIQVEY-NVXWUHKLSA-N 2 2 359.474 0.545 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000579560918 491700443 /nfs/dbraw/zinc/70/04/43/491700443.db2.gz VIASMCSLXCRLDI-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CN1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000579570436 491700620 /nfs/dbraw/zinc/70/06/20/491700620.db2.gz FRMVGAUTGUTMGJ-QGZVFWFLSA-N 2 2 356.474 0.758 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000579701751 491703293 /nfs/dbraw/zinc/70/32/93/491703293.db2.gz HQDZTUJCJKHOHY-BPQIPLTHSA-N 2 2 371.485 0.355 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCCS(N)(=O)=O)c2cc1C ZINC000584586117 491708796 /nfs/dbraw/zinc/70/87/96/491708796.db2.gz LISVWWDPVCUTPX-CQSZACIVSA-N 2 2 354.476 0.672 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000579931124 491709337 /nfs/dbraw/zinc/70/93/37/491709337.db2.gz GSLRPQHWRVUKSN-HNNXBMFYSA-N 2 2 360.462 0.172 20 0 FCADLP COc1ccc([C@H](CO)C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000580074070 491716325 /nfs/dbraw/zinc/71/63/25/491716325.db2.gz CIISZVNZPNZLQX-LAQRGFTBSA-N 2 2 352.475 0.831 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000580088315 491717080 /nfs/dbraw/zinc/71/70/80/491717080.db2.gz QAOMZQRESKXUIL-CXAGYDPISA-N 2 2 365.503 0.290 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000580143404 491719220 /nfs/dbraw/zinc/71/92/20/491719220.db2.gz LMHPBFYJIMPMDT-HPFXQQBRSA-N 2 2 371.485 0.705 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000580143404 491719221 /nfs/dbraw/zinc/71/92/21/491719221.db2.gz LMHPBFYJIMPMDT-HPFXQQBRSA-N 2 2 371.485 0.705 20 0 FCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000580184080 491720476 /nfs/dbraw/zinc/72/04/76/491720476.db2.gz ZQJOPGWOQFDFJT-KKUMJFAQSA-N 2 2 362.478 0.382 20 0 FCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000580184080 491720478 /nfs/dbraw/zinc/72/04/78/491720478.db2.gz ZQJOPGWOQFDFJT-KKUMJFAQSA-N 2 2 362.478 0.382 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000580211729 491721870 /nfs/dbraw/zinc/72/18/70/491721870.db2.gz HFAOCQFRVWYQPX-FQEVSTJZSA-N 2 2 374.485 0.263 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000580211729 491721871 /nfs/dbraw/zinc/72/18/71/491721871.db2.gz HFAOCQFRVWYQPX-FQEVSTJZSA-N 2 2 374.485 0.263 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@]3(CC[N@H+](C)C3)C1)C2 ZINC000580413143 491730054 /nfs/dbraw/zinc/73/00/54/491730054.db2.gz GHSFMAJYQNUOFO-FQEVSTJZSA-N 2 2 373.501 0.982 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@]3(CC[N@@H+](C)C3)C1)C2 ZINC000580413143 491730055 /nfs/dbraw/zinc/73/00/55/491730055.db2.gz GHSFMAJYQNUOFO-FQEVSTJZSA-N 2 2 373.501 0.982 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580467420 491732580 /nfs/dbraw/zinc/73/25/80/491732580.db2.gz YCESMZJXMSZXQY-CVEARBPZSA-N 2 2 360.458 0.042 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580467420 491732582 /nfs/dbraw/zinc/73/25/82/491732582.db2.gz YCESMZJXMSZXQY-CVEARBPZSA-N 2 2 360.458 0.042 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000588097894 491738768 /nfs/dbraw/zinc/73/87/68/491738768.db2.gz QKCZNHAFPSCKAQ-HNNXBMFYSA-N 2 2 356.430 0.989 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000588097894 491738769 /nfs/dbraw/zinc/73/87/69/491738769.db2.gz QKCZNHAFPSCKAQ-HNNXBMFYSA-N 2 2 356.430 0.989 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000580759689 491744428 /nfs/dbraw/zinc/74/44/28/491744428.db2.gz AXKCUMINBSAVFO-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000580759689 491744429 /nfs/dbraw/zinc/74/44/29/491744429.db2.gz AXKCUMINBSAVFO-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CSC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588686088 491746261 /nfs/dbraw/zinc/74/62/61/491746261.db2.gz FQVKGYOJDNCEAC-DZGCQCFKSA-N 2 2 356.536 0.481 20 0 FCADLP CSC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588686088 491746262 /nfs/dbraw/zinc/74/62/62/491746262.db2.gz FQVKGYOJDNCEAC-DZGCQCFKSA-N 2 2 356.536 0.481 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH+]1CCOCC1 ZINC000580960249 491753330 /nfs/dbraw/zinc/75/33/30/491753330.db2.gz INGVRUCPXXRTDS-MRXNPFEDSA-N 2 2 351.495 0.921 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000581010686 491755500 /nfs/dbraw/zinc/75/55/00/491755500.db2.gz VWJRMAKWFNEZDS-LSDHHAIUSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000581010686 491755502 /nfs/dbraw/zinc/75/55/02/491755502.db2.gz VWJRMAKWFNEZDS-LSDHHAIUSA-N 2 2 350.850 0.794 20 0 FCADLP COCCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000581035205 491756616 /nfs/dbraw/zinc/75/66/16/491756616.db2.gz MKVQPFQTQDXEJX-UHFFFAOYSA-N 2 2 355.504 0.987 20 0 FCADLP COCCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000581035205 491756618 /nfs/dbraw/zinc/75/66/18/491756618.db2.gz MKVQPFQTQDXEJX-UHFFFAOYSA-N 2 2 355.504 0.987 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)[C@H](C[NH3+])C1 ZINC000581061342 491757563 /nfs/dbraw/zinc/75/75/63/491757563.db2.gz SKIGFLKNRZMVEG-LLVKDONJSA-N 2 2 371.367 0.532 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000581075012 491758010 /nfs/dbraw/zinc/75/80/10/491758010.db2.gz UNDQYWFRVWAPPC-MAUKXSAKSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000581075012 491758011 /nfs/dbraw/zinc/75/80/11/491758011.db2.gz UNDQYWFRVWAPPC-MAUKXSAKSA-N 2 2 364.465 0.912 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000581372118 491770364 /nfs/dbraw/zinc/77/03/64/491770364.db2.gz UUIPJLBCXABJRD-INIZCTEOSA-N 2 2 374.441 0.802 20 0 FCADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581418387 491772169 /nfs/dbraw/zinc/77/21/69/491772169.db2.gz DJHMQRHSOYOOSY-QYZOEREBSA-N 2 2 358.486 0.933 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000581534589 491776489 /nfs/dbraw/zinc/77/64/89/491776489.db2.gz PQLDGKBZQWJERU-MRXNPFEDSA-N 2 2 361.490 0.989 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000581656495 491781731 /nfs/dbraw/zinc/78/17/31/491781731.db2.gz GQJARRSQXZNVGH-CQSZACIVSA-N 2 2 373.448 0.227 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000581712203 491783617 /nfs/dbraw/zinc/78/36/17/491783617.db2.gz TYCGXMVNXNOMNJ-UHFFFAOYSA-N 3 2 364.494 0.068 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000581874606 491788272 /nfs/dbraw/zinc/78/82/72/491788272.db2.gz WKZVWVDBNDBZAZ-MWDXBVQZSA-N 2 2 366.506 0.250 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000581904465 491789741 /nfs/dbraw/zinc/78/97/41/491789741.db2.gz NQJYDTBZTCAGHF-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000581942440 491791176 /nfs/dbraw/zinc/79/11/76/491791176.db2.gz SQVVAJLNPXHORZ-RDJZCZTQSA-N 2 2 362.449 0.779 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000581942440 491791178 /nfs/dbraw/zinc/79/11/78/491791178.db2.gz SQVVAJLNPXHORZ-RDJZCZTQSA-N 2 2 362.449 0.779 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H](C[NH3+])C1 ZINC000581942439 491791199 /nfs/dbraw/zinc/79/11/99/491791199.db2.gz SQVVAJLNPXHORZ-DOTOQJQBSA-N 2 2 362.449 0.779 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@H](C[NH3+])C1 ZINC000581942439 491791200 /nfs/dbraw/zinc/79/12/00/491791200.db2.gz SQVVAJLNPXHORZ-DOTOQJQBSA-N 2 2 362.449 0.779 20 0 FCADLP CCc1nsc(N2CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CC2)n1 ZINC000581951723 491791531 /nfs/dbraw/zinc/79/15/31/491791531.db2.gz LHHRMTKVCKMGFF-AWEZNQCLSA-N 2 2 357.524 0.552 20 0 FCADLP CCc1nsc(N2CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC2)n1 ZINC000581951723 491791533 /nfs/dbraw/zinc/79/15/33/491791533.db2.gz LHHRMTKVCKMGFF-AWEZNQCLSA-N 2 2 357.524 0.552 20 0 FCADLP CCc1nsc(N2CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000581951723 491791535 /nfs/dbraw/zinc/79/15/35/491791535.db2.gz LHHRMTKVCKMGFF-AWEZNQCLSA-N 2 2 357.524 0.552 20 0 FCADLP O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1ccn2cc[nH+]c2c1 ZINC000582114993 491798536 /nfs/dbraw/zinc/79/85/36/491798536.db2.gz RRCBLODPDJTOQW-UHFFFAOYSA-N 2 2 360.462 0.846 20 0 FCADLP COC1(CO)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000683677616 493364719 /nfs/dbraw/zinc/36/47/19/493364719.db2.gz YFMQXHLGJLQYBR-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000582298759 491806430 /nfs/dbraw/zinc/80/64/30/491806430.db2.gz BSHUAVDHBXBPCH-ZBFHGGJFSA-N 2 2 359.405 0.633 20 0 FCADLP CCO[C@@H]1COC[C@H]1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000582414195 491811405 /nfs/dbraw/zinc/81/14/05/491811405.db2.gz AQJLAIVLZXOOFX-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CCO[C@@H]1COC[C@H]1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000582414195 491811406 /nfs/dbraw/zinc/81/14/06/491811406.db2.gz AQJLAIVLZXOOFX-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000582476536 491814301 /nfs/dbraw/zinc/81/43/01/491814301.db2.gz HURRZWWKMSWPBH-YESZJQIVSA-N 2 2 366.506 0.333 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000582576815 491818657 /nfs/dbraw/zinc/81/86/57/491818657.db2.gz BDJGYHJLSIKGTI-IBGZPJMESA-N 2 2 372.469 0.625 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nn1-c1ccc(F)cc1F ZINC000582654216 491821344 /nfs/dbraw/zinc/82/13/44/491821344.db2.gz YRGPJUMICWTPMA-CYBMUJFWSA-N 2 2 364.400 1.566 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nn1-c1ccc(F)cc1F ZINC000582654216 491821345 /nfs/dbraw/zinc/82/13/45/491821345.db2.gz YRGPJUMICWTPMA-CYBMUJFWSA-N 2 2 364.400 1.566 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)CCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000582720420 491824006 /nfs/dbraw/zinc/82/40/06/491824006.db2.gz MGQGNZCXRXYPPT-KRWDZBQOSA-N 2 2 361.490 0.410 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)CCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000582720420 491824008 /nfs/dbraw/zinc/82/40/08/491824008.db2.gz MGQGNZCXRXYPPT-KRWDZBQOSA-N 2 2 361.490 0.410 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000582727870 491824102 /nfs/dbraw/zinc/82/41/02/491824102.db2.gz QWQDAKIFMABMHT-BQFCYCMXSA-N 2 2 368.522 0.355 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000583013945 491836114 /nfs/dbraw/zinc/83/61/14/491836114.db2.gz ABIOWAARGJLGMU-HOTGVXAUSA-N 2 2 360.462 0.577 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000583013945 491836115 /nfs/dbraw/zinc/83/61/15/491836115.db2.gz ABIOWAARGJLGMU-HOTGVXAUSA-N 2 2 360.462 0.577 20 0 FCADLP Cn1cc([C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371094 491843477 /nfs/dbraw/zinc/84/34/77/491843477.db2.gz ZLKAZFOKXCMLRS-IRXDYDNUSA-N 2 2 360.437 0.933 20 0 FCADLP Cn1cc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371094 491843478 /nfs/dbraw/zinc/84/34/78/491843478.db2.gz ZLKAZFOKXCMLRS-IRXDYDNUSA-N 2 2 360.437 0.933 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000583392537 491844088 /nfs/dbraw/zinc/84/40/88/491844088.db2.gz JHCHPZZSGOFWPF-BZUAXINKSA-N 2 2 368.441 0.463 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639996 491849212 /nfs/dbraw/zinc/84/92/12/491849212.db2.gz XXGZCWPLDKPBGW-BZSNNMDCSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639996 491849213 /nfs/dbraw/zinc/84/92/13/491849213.db2.gz XXGZCWPLDKPBGW-BZSNNMDCSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639996 491849214 /nfs/dbraw/zinc/84/92/14/491849214.db2.gz XXGZCWPLDKPBGW-BZSNNMDCSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639996 491849215 /nfs/dbraw/zinc/84/92/15/491849215.db2.gz XXGZCWPLDKPBGW-BZSNNMDCSA-N 2 2 350.459 0.814 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000583701678 491850404 /nfs/dbraw/zinc/85/04/04/491850404.db2.gz XAWNKWTZBDTCIQ-LLVKDONJSA-N 2 2 360.418 0.347 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000583701678 491850405 /nfs/dbraw/zinc/85/04/05/491850405.db2.gz XAWNKWTZBDTCIQ-LLVKDONJSA-N 2 2 360.418 0.347 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000583802035 491852248 /nfs/dbraw/zinc/85/22/48/491852248.db2.gz PBDXGBFWBVOGQN-PVAVHDDUSA-N 2 2 366.485 0.974 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000583802035 491852249 /nfs/dbraw/zinc/85/22/49/491852249.db2.gz PBDXGBFWBVOGQN-PVAVHDDUSA-N 2 2 366.485 0.974 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000583842198 491853187 /nfs/dbraw/zinc/85/31/87/491853187.db2.gz HMYODXWHUPZFHC-JKSUJKDBSA-N 2 2 353.463 0.382 20 0 FCADLP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583867638 491853565 /nfs/dbraw/zinc/85/35/65/491853565.db2.gz WXJMFCLSWWEPOP-DZKIICNBSA-N 2 2 371.503 0.202 20 0 FCADLP C[C@H](Cc1ccsc1)[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000583956541 491855491 /nfs/dbraw/zinc/85/54/91/491855491.db2.gz MBNZEPUCMFCWDE-OAHLLOKOSA-N 2 2 372.560 0.789 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000584147160 491859575 /nfs/dbraw/zinc/85/95/75/491859575.db2.gz PCPWIXOQTOFGRL-UZLBHIALSA-N 2 2 371.485 0.721 20 0 FCADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)CN3CC[NH2+]CC3=O)c2)CC1 ZINC000584170713 491859954 /nfs/dbraw/zinc/85/99/54/491859954.db2.gz GFIIHPXBQSWGBE-UHFFFAOYSA-N 2 2 359.474 0.587 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CC1 ZINC000584327818 491863149 /nfs/dbraw/zinc/86/31/49/491863149.db2.gz MISOSTMJLCAHST-UHFFFAOYSA-N 2 2 371.547 0.878 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875391 491869234 /nfs/dbraw/zinc/86/92/34/491869234.db2.gz DMZISZQZASEAEW-SJLPKXTDSA-N 2 2 374.485 0.549 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594875391 491869235 /nfs/dbraw/zinc/86/92/35/491869235.db2.gz DMZISZQZASEAEW-SJLPKXTDSA-N 2 2 374.485 0.549 20 0 FCADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601328092 491904248 /nfs/dbraw/zinc/90/42/48/491904248.db2.gz GRTCCKJIPDZEIV-UHFFFAOYSA-N 2 2 363.524 0.616 20 0 FCADLP C[NH2+]CCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000601327383 491904463 /nfs/dbraw/zinc/90/44/63/491904463.db2.gz USCBTKPMUCOMLW-UHFFFAOYSA-N 2 2 361.231 0.813 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c[nH+]1 ZINC000595266476 491909010 /nfs/dbraw/zinc/90/90/10/491909010.db2.gz WHLFJPLPJQNMCX-HUUCEWRRSA-N 2 2 360.462 0.381 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c[nH+]1 ZINC000595266477 491909222 /nfs/dbraw/zinc/90/92/22/491909222.db2.gz WHLFJPLPJQNMCX-LSDHHAIUSA-N 2 2 360.462 0.381 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000612486481 491925151 /nfs/dbraw/zinc/92/51/51/491925151.db2.gz RWZROZQXJGMGDN-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000612486481 491925154 /nfs/dbraw/zinc/92/51/54/491925154.db2.gz RWZROZQXJGMGDN-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472934 491925178 /nfs/dbraw/zinc/92/51/78/491925178.db2.gz AJSULZAVEYCUBU-UKRRQHHQSA-N 2 2 350.463 0.151 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472934 491925182 /nfs/dbraw/zinc/92/51/82/491925182.db2.gz AJSULZAVEYCUBU-UKRRQHHQSA-N 2 2 350.463 0.151 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469644 491934289 /nfs/dbraw/zinc/93/42/89/491934289.db2.gz IGVUMIRZTYUZHC-INIZCTEOSA-N 2 2 355.479 0.633 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469644 491934291 /nfs/dbraw/zinc/93/42/91/491934291.db2.gz IGVUMIRZTYUZHC-INIZCTEOSA-N 2 2 355.479 0.633 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758020 491949110 /nfs/dbraw/zinc/94/91/10/491949110.db2.gz CXIVFJOXORGMDS-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758020 491949112 /nfs/dbraw/zinc/94/91/12/491949112.db2.gz CXIVFJOXORGMDS-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758020 491949113 /nfs/dbraw/zinc/94/91/13/491949113.db2.gz CXIVFJOXORGMDS-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758020 491949115 /nfs/dbraw/zinc/94/91/15/491949115.db2.gz CXIVFJOXORGMDS-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@]1(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000612875974 491956408 /nfs/dbraw/zinc/95/64/08/491956408.db2.gz JIOYHFALANUHHS-LJQANCHMSA-N 2 2 362.474 0.949 20 0 FCADLP C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602194404 491966882 /nfs/dbraw/zinc/96/68/82/491966882.db2.gz KNNNQDWLMZZUFH-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602194404 491966883 /nfs/dbraw/zinc/96/68/83/491966883.db2.gz KNNNQDWLMZZUFH-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N(CC[NH+]3CCOCC3)CC3CC3)c21 ZINC000595986481 491969174 /nfs/dbraw/zinc/96/91/74/491969174.db2.gz JUBCTFLRLGCGNF-INIZCTEOSA-N 2 2 361.490 0.904 20 0 FCADLP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000613310455 491976912 /nfs/dbraw/zinc/97/69/12/491976912.db2.gz WITZWPFOLULGFT-GOSISDBHSA-N 2 2 359.518 0.561 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613552777 491985754 /nfs/dbraw/zinc/98/57/54/491985754.db2.gz ODCZUFTWBBMLCE-KBPBESRZSA-N 2 2 350.488 0.364 20 0 FCADLP COC(=O)c1ccn(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602931993 492005726 /nfs/dbraw/zinc/00/57/26/492005726.db2.gz MDNYOMSDCYKUGE-HNNXBMFYSA-N 2 2 363.462 0.297 20 0 FCADLP COC(=O)c1ccn(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602931993 492005729 /nfs/dbraw/zinc/00/57/29/492005729.db2.gz MDNYOMSDCYKUGE-HNNXBMFYSA-N 2 2 363.462 0.297 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613994747 492008881 /nfs/dbraw/zinc/00/88/81/492008881.db2.gz BEHSBNCQYGODKP-IRXDYDNUSA-N 2 2 350.507 0.539 20 0 FCADLP CCOC(=O)CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000603554611 492037306 /nfs/dbraw/zinc/03/73/06/492037306.db2.gz VGXVOASBLDJGKX-UHFFFAOYSA-N 2 2 369.506 0.879 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191205 492053494 /nfs/dbraw/zinc/05/34/94/492053494.db2.gz NUHKZWYZAMASOX-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191205 492053496 /nfs/dbraw/zinc/05/34/96/492053496.db2.gz NUHKZWYZAMASOX-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191205 492053497 /nfs/dbraw/zinc/05/34/97/492053497.db2.gz NUHKZWYZAMASOX-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191205 492053499 /nfs/dbraw/zinc/05/34/99/492053499.db2.gz NUHKZWYZAMASOX-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191205 492053501 /nfs/dbraw/zinc/05/35/01/492053501.db2.gz NUHKZWYZAMASOX-JKSUJKDBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191205 492053502 /nfs/dbraw/zinc/05/35/02/492053502.db2.gz NUHKZWYZAMASOX-JKSUJKDBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191202 492053797 /nfs/dbraw/zinc/05/37/97/492053797.db2.gz NUHKZWYZAMASOX-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191202 492053799 /nfs/dbraw/zinc/05/37/99/492053799.db2.gz NUHKZWYZAMASOX-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191202 492053800 /nfs/dbraw/zinc/05/38/00/492053800.db2.gz NUHKZWYZAMASOX-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191202 492053802 /nfs/dbraw/zinc/05/38/02/492053802.db2.gz NUHKZWYZAMASOX-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191202 492053803 /nfs/dbraw/zinc/05/38/03/492053803.db2.gz NUHKZWYZAMASOX-CVEARBPZSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191202 492053805 /nfs/dbraw/zinc/05/38/05/492053805.db2.gz NUHKZWYZAMASOX-CVEARBPZSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000604200050 492054273 /nfs/dbraw/zinc/05/42/73/492054273.db2.gz XGDWXLWINWUNSE-HNNXBMFYSA-N 3 2 355.552 0.503 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000604200050 492054274 /nfs/dbraw/zinc/05/42/74/492054274.db2.gz XGDWXLWINWUNSE-HNNXBMFYSA-N 3 2 355.552 0.503 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)CC1 ZINC000604209888 492055078 /nfs/dbraw/zinc/05/50/78/492055078.db2.gz ZBBIOXVCEXOTCW-GJZGRUSLSA-N 2 2 366.510 0.245 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)CC1 ZINC000604209888 492055080 /nfs/dbraw/zinc/05/50/80/492055080.db2.gz ZBBIOXVCEXOTCW-GJZGRUSLSA-N 2 2 366.510 0.245 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](O)COCC3CC3)C2)CC1 ZINC000604207408 492055099 /nfs/dbraw/zinc/05/50/99/492055099.db2.gz DAABMTWRWRTCGC-DOTOQJQBSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](O)COCC3CC3)C2)CC1 ZINC000604207408 492055100 /nfs/dbraw/zinc/05/51/00/492055100.db2.gz DAABMTWRWRTCGC-DOTOQJQBSA-N 2 2 354.495 0.242 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648922 492066170 /nfs/dbraw/zinc/06/61/70/492066170.db2.gz CPVWBQPSMKTRBT-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648922 492066171 /nfs/dbraw/zinc/06/61/71/492066171.db2.gz CPVWBQPSMKTRBT-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648922 492066172 /nfs/dbraw/zinc/06/61/72/492066172.db2.gz CPVWBQPSMKTRBT-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648922 492066173 /nfs/dbraw/zinc/06/61/73/492066173.db2.gz CPVWBQPSMKTRBT-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP CC[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615278312 492084465 /nfs/dbraw/zinc/08/44/65/492084465.db2.gz DIUUMXCNTPGPOX-QZTJIDSGSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615278312 492084467 /nfs/dbraw/zinc/08/44/67/492084467.db2.gz DIUUMXCNTPGPOX-QZTJIDSGSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615278312 492084468 /nfs/dbraw/zinc/08/44/68/492084468.db2.gz DIUUMXCNTPGPOX-QZTJIDSGSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615278312 492084470 /nfs/dbraw/zinc/08/44/70/492084470.db2.gz DIUUMXCNTPGPOX-QZTJIDSGSA-N 2 2 352.523 0.582 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000605969613 492108971 /nfs/dbraw/zinc/10/89/71/492108971.db2.gz XYDXAZWSSKWVCN-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000605969613 492108973 /nfs/dbraw/zinc/10/89/73/492108973.db2.gz XYDXAZWSSKWVCN-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000605969613 492108974 /nfs/dbraw/zinc/10/89/74/492108974.db2.gz XYDXAZWSSKWVCN-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000605969613 492108976 /nfs/dbraw/zinc/10/89/76/492108976.db2.gz XYDXAZWSSKWVCN-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633828 492125281 /nfs/dbraw/zinc/12/52/81/492125281.db2.gz WMWLPQNTXPGUQO-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633828 492125282 /nfs/dbraw/zinc/12/52/82/492125282.db2.gz WMWLPQNTXPGUQO-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000606705155 492127756 /nfs/dbraw/zinc/12/77/56/492127756.db2.gz DAQOWHLYGYKRMX-MRXNPFEDSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000606705155 492127757 /nfs/dbraw/zinc/12/77/57/492127757.db2.gz DAQOWHLYGYKRMX-MRXNPFEDSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C[NH+]1CCN(C)CC1 ZINC000606999182 492135105 /nfs/dbraw/zinc/13/51/05/492135105.db2.gz KBELYDLATZMIEF-OAHLLOKOSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C[NH+]1CCN(C)CC1 ZINC000606999182 492135106 /nfs/dbraw/zinc/13/51/06/492135106.db2.gz KBELYDLATZMIEF-OAHLLOKOSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)CN1CC[NH+](C)CC1 ZINC000606999182 492135109 /nfs/dbraw/zinc/13/51/09/492135109.db2.gz KBELYDLATZMIEF-OAHLLOKOSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)CN1CC[NH+](C)CC1 ZINC000606999182 492135110 /nfs/dbraw/zinc/13/51/10/492135110.db2.gz KBELYDLATZMIEF-OAHLLOKOSA-N 2 2 373.501 0.570 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000607240321 492141750 /nfs/dbraw/zinc/14/17/50/492141750.db2.gz QTNIBTPWYFBODO-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000607240321 492141752 /nfs/dbraw/zinc/14/17/52/492141752.db2.gz QTNIBTPWYFBODO-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000607240321 492141755 /nfs/dbraw/zinc/14/17/55/492141755.db2.gz QTNIBTPWYFBODO-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000607240321 492141757 /nfs/dbraw/zinc/14/17/57/492141757.db2.gz QTNIBTPWYFBODO-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000617728744 492185627 /nfs/dbraw/zinc/18/56/27/492185627.db2.gz XRMNHKFJMXERBW-CABCVRRESA-N 2 2 350.463 0.861 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000617728744 492185629 /nfs/dbraw/zinc/18/56/29/492185629.db2.gz XRMNHKFJMXERBW-CABCVRRESA-N 2 2 350.463 0.861 20 0 FCADLP Cc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617768625 492190770 /nfs/dbraw/zinc/19/07/70/492190770.db2.gz MZFNBROQGOXTCC-UHFFFAOYSA-N 2 2 370.519 0.273 20 0 FCADLP Cc1ccc(S(=O)(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617768625 492190771 /nfs/dbraw/zinc/19/07/71/492190771.db2.gz MZFNBROQGOXTCC-UHFFFAOYSA-N 2 2 370.519 0.273 20 0 FCADLP COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000599587805 492191639 /nfs/dbraw/zinc/19/16/39/492191639.db2.gz HKVQNHWELBRYKG-DLBZAZTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000599587805 492191640 /nfs/dbraw/zinc/19/16/40/492191640.db2.gz HKVQNHWELBRYKG-DLBZAZTESA-N 2 2 369.506 0.829 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250183 492239327 /nfs/dbraw/zinc/23/93/27/492239327.db2.gz DBOVBXCLIYFZFT-MRXNPFEDSA-N 2 2 353.511 0.713 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250183 492239328 /nfs/dbraw/zinc/23/93/28/492239328.db2.gz DBOVBXCLIYFZFT-MRXNPFEDSA-N 2 2 353.511 0.713 20 0 FCADLP C[N@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000618872907 492241920 /nfs/dbraw/zinc/24/19/20/492241920.db2.gz WFHYAFGWKLNIPM-UHFFFAOYSA-N 2 2 358.486 0.885 20 0 FCADLP C[N@@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000618872907 492241923 /nfs/dbraw/zinc/24/19/23/492241923.db2.gz WFHYAFGWKLNIPM-UHFFFAOYSA-N 2 2 358.486 0.885 20 0 FCADLP CC[NH+](CC)Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)o1 ZINC000600493513 492275234 /nfs/dbraw/zinc/27/52/34/492275234.db2.gz UOGONZUGKARYHV-UHFFFAOYSA-N 2 2 366.462 0.300 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225293 492282078 /nfs/dbraw/zinc/28/20/78/492282078.db2.gz WHIJXPKMFJBXPC-MSOLQXFVSA-N 2 2 350.507 0.336 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225293 492282079 /nfs/dbraw/zinc/28/20/79/492282079.db2.gz WHIJXPKMFJBXPC-MSOLQXFVSA-N 2 2 350.507 0.336 20 0 FCADLP COC(=O)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)on1 ZINC000611587918 492290669 /nfs/dbraw/zinc/29/06/69/492290669.db2.gz NGYZVHGBRXPRTB-UHFFFAOYSA-N 2 2 350.419 0.750 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1(C)C ZINC000641776112 492303824 /nfs/dbraw/zinc/30/38/24/492303824.db2.gz RXBDZJSUOZTKQW-KRWDZBQOSA-N 2 2 356.536 0.930 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1(C)C ZINC000641776112 492303827 /nfs/dbraw/zinc/30/38/27/492303827.db2.gz RXBDZJSUOZTKQW-KRWDZBQOSA-N 2 2 356.536 0.930 20 0 FCADLP Cn1nnc2c1CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445701 492305586 /nfs/dbraw/zinc/30/55/86/492305586.db2.gz YPPHHHWKPOFICW-ZIAGYGMSSA-N 2 2 361.494 0.140 20 0 FCADLP Cn1nnc2c1CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445701 492305592 /nfs/dbraw/zinc/30/55/92/492305592.db2.gz YPPHHHWKPOFICW-ZIAGYGMSSA-N 2 2 361.494 0.140 20 0 FCADLP CC(C)(C)n1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nn1 ZINC000641787692 492305971 /nfs/dbraw/zinc/30/59/71/492305971.db2.gz YCUGLNILXPPGFX-MRXNPFEDSA-N 2 2 350.511 0.919 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620479155 492312521 /nfs/dbraw/zinc/31/25/21/492312521.db2.gz OTBXQXZGWMSXRT-ZWKOTPCHSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620479155 492312526 /nfs/dbraw/zinc/31/25/26/492312526.db2.gz OTBXQXZGWMSXRT-ZWKOTPCHSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620479155 492312529 /nfs/dbraw/zinc/31/25/29/492312529.db2.gz OTBXQXZGWMSXRT-ZWKOTPCHSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000620479155 492312534 /nfs/dbraw/zinc/31/25/34/492312534.db2.gz OTBXQXZGWMSXRT-ZWKOTPCHSA-N 2 2 351.491 0.687 20 0 FCADLP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[NH2+]1 ZINC000627478725 492315551 /nfs/dbraw/zinc/31/55/51/492315551.db2.gz RCDFNVHWENYWCW-DLBZAZTESA-N 2 2 374.485 0.466 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568582 492317318 /nfs/dbraw/zinc/31/73/18/492317318.db2.gz OXVMLGZPSAWHFH-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568582 492317321 /nfs/dbraw/zinc/31/73/21/492317321.db2.gz OXVMLGZPSAWHFH-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CN(C)c1noc(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634193090 492324538 /nfs/dbraw/zinc/32/45/38/492324538.db2.gz BGBSFUIZFGJVNZ-UHFFFAOYSA-N 2 2 359.434 0.854 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCCS3(=O)=O)c2)CC1 ZINC000634193087 492325343 /nfs/dbraw/zinc/32/53/43/492325343.db2.gz BCAYRFIQKYCOAS-CQSZACIVSA-N 2 2 352.460 0.739 20 0 FCADLP CN1CC(=O)N(CCCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1=O ZINC000634197861 492326276 /nfs/dbraw/zinc/32/62/76/492326276.db2.gz LVXMPSZGOXVHKE-UHFFFAOYSA-N 2 2 374.445 0.446 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)CC1 ZINC000634197778 492326354 /nfs/dbraw/zinc/32/63/54/492326354.db2.gz KJHNYWCFRZARLT-AWEZNQCLSA-N 2 2 367.475 0.196 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000634197452 492326403 /nfs/dbraw/zinc/32/64/03/492326403.db2.gz HVEDNKYCMRJTJU-ZDUSSCGKSA-N 2 2 352.460 0.597 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@]34CCC(=O)N3CCS4)c2)CC1 ZINC000634197928 492326496 /nfs/dbraw/zinc/32/64/96/492326496.db2.gz NJJOHPGEGXWJRR-KRWDZBQOSA-N 2 2 361.471 0.837 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000642105153 492335061 /nfs/dbraw/zinc/33/50/61/492335061.db2.gz JIEKAKSYIFRGNY-XJKSGUPXSA-N 2 2 357.414 0.063 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1CC[NH2+]CC1 ZINC000647642462 492340466 /nfs/dbraw/zinc/34/04/66/492340466.db2.gz HSMVCWKNEMEOLX-UHFFFAOYSA-N 2 2 353.488 0.751 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000642381258 492355949 /nfs/dbraw/zinc/35/59/49/492355949.db2.gz QSFIATKFCZCQEH-HZPDHXFCSA-N 2 2 355.442 0.836 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642519129 492360881 /nfs/dbraw/zinc/36/08/81/492360881.db2.gz FZJHDYZBCYHGQD-RISCZKNCSA-N 2 2 361.833 0.814 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642519128 492360945 /nfs/dbraw/zinc/36/09/45/492360945.db2.gz FZJHDYZBCYHGQD-FZMZJTMJSA-N 2 2 361.833 0.814 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000642517708 492361058 /nfs/dbraw/zinc/36/10/58/492361058.db2.gz QKGAOOLODVTEGT-BZUAXINKSA-N 2 2 354.495 0.045 20 0 FCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715552 492363022 /nfs/dbraw/zinc/36/30/22/492363022.db2.gz FSZUNRWYBMAAQK-SJORKVTESA-N 2 2 355.504 0.541 20 0 FCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715552 492363027 /nfs/dbraw/zinc/36/30/27/492363027.db2.gz FSZUNRWYBMAAQK-SJORKVTESA-N 2 2 355.504 0.541 20 0 FCADLP CNS(=O)(=O)CCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000634726778 492363892 /nfs/dbraw/zinc/36/38/92/492363892.db2.gz ATBAGOVNTHEPTR-AWEZNQCLSA-N 2 2 354.476 0.543 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000642631907 492367020 /nfs/dbraw/zinc/36/70/20/492367020.db2.gz PHVPAPVYLSZFRT-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)[nH+]c12 ZINC000642638784 492368001 /nfs/dbraw/zinc/36/80/01/492368001.db2.gz BZLPMQYVRWQPKB-LJQANCHMSA-N 2 2 357.458 0.807 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])[nH+]c12 ZINC000642638793 492368024 /nfs/dbraw/zinc/36/80/24/492368024.db2.gz CIGRJDDFECFHNP-XJKSGUPXSA-N 2 2 357.458 0.887 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000634780293 492368382 /nfs/dbraw/zinc/36/83/82/492368382.db2.gz AIFJKROUVRRTME-KDURUIRLSA-N 2 2 371.481 0.844 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000634780293 492368387 /nfs/dbraw/zinc/36/83/87/492368387.db2.gz AIFJKROUVRRTME-KDURUIRLSA-N 2 2 371.481 0.844 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769286 492368599 /nfs/dbraw/zinc/36/85/99/492368599.db2.gz UKDFMBGCPWDSGD-UZLBHIALSA-N 2 2 371.485 0.769 20 0 FCADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834925 492369034 /nfs/dbraw/zinc/36/90/34/492369034.db2.gz FQEAWJDOZFDKGQ-UHFFFAOYSA-N 2 2 361.490 0.141 20 0 FCADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834925 492369037 /nfs/dbraw/zinc/36/90/37/492369037.db2.gz FQEAWJDOZFDKGQ-UHFFFAOYSA-N 2 2 361.490 0.141 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c[nH+]1 ZINC000642687092 492373284 /nfs/dbraw/zinc/37/32/84/492373284.db2.gz JPRQZOSUMHYIBF-HOTGVXAUSA-N 2 2 359.474 0.754 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642705200 492375445 /nfs/dbraw/zinc/37/54/45/492375445.db2.gz IEURXHZORJLBBI-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000642721961 492379617 /nfs/dbraw/zinc/37/96/17/492379617.db2.gz JMSTYDHHRMDIAL-CQSZACIVSA-N 2 2 367.453 0.724 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647934760 492385457 /nfs/dbraw/zinc/38/54/57/492385457.db2.gz PBNIKRQQPXNGCM-JSGCOSHPSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647934760 492385460 /nfs/dbraw/zinc/38/54/60/492385460.db2.gz PBNIKRQQPXNGCM-JSGCOSHPSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC[C@@H]1[NH3+] ZINC000647936926 492385609 /nfs/dbraw/zinc/38/56/09/492385609.db2.gz NOBQUOROYJKHRB-OCCSQVGLSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC[C@@H]1[NH3+] ZINC000647936926 492385614 /nfs/dbraw/zinc/38/56/14/492385614.db2.gz NOBQUOROYJKHRB-OCCSQVGLSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC[C@H]1[NH3+] ZINC000647936924 492385905 /nfs/dbraw/zinc/38/59/05/492385905.db2.gz NOBQUOROYJKHRB-GXTWGEPZSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC[C@H]1[NH3+] ZINC000647936924 492385910 /nfs/dbraw/zinc/38/59/10/492385910.db2.gz NOBQUOROYJKHRB-GXTWGEPZSA-N 2 2 354.476 0.640 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000642754841 492386502 /nfs/dbraw/zinc/38/65/02/492386502.db2.gz WKLCBIOOKKMKJR-UHFFFAOYSA-N 2 2 373.501 0.311 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000642754777 492387045 /nfs/dbraw/zinc/38/70/45/492387045.db2.gz OBBZGIOSKLQZDO-SJORKVTESA-N 2 2 373.501 0.134 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978799 492390774 /nfs/dbraw/zinc/39/07/74/492390774.db2.gz YGMLSXZDCZVVFW-QKPAOTATSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978799 492390778 /nfs/dbraw/zinc/39/07/78/492390778.db2.gz YGMLSXZDCZVVFW-QKPAOTATSA-N 2 2 357.520 0.390 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000642895050 492398104 /nfs/dbraw/zinc/39/81/04/492398104.db2.gz AVXUVMSXGHLNJU-UHFFFAOYSA-N 2 2 362.474 0.374 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000648123774 492402629 /nfs/dbraw/zinc/40/26/29/492402629.db2.gz IFIBSAKXGOVOBN-HOCLYGCPSA-N 2 2 365.499 0.846 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919966 492404194 /nfs/dbraw/zinc/40/41/94/492404194.db2.gz QHSWNTSHZLYKBZ-UHFFFAOYSA-N 2 2 355.442 0.758 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000642921717 492404805 /nfs/dbraw/zinc/40/48/05/492404805.db2.gz YEQROVGLBVAMPI-DLBZAZTESA-N 2 2 360.458 0.126 20 0 FCADLP CCC[C@](C)([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152487 492408858 /nfs/dbraw/zinc/40/88/58/492408858.db2.gz OOTKMYOSZTZGLN-IBGZPJMESA-N 3 2 367.538 0.201 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000643226999 492432950 /nfs/dbraw/zinc/43/29/50/492432950.db2.gz AYQPWDYTMAUHMX-MRXNPFEDSA-N 2 2 361.494 0.334 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000643226999 492432952 /nfs/dbraw/zinc/43/29/52/492432952.db2.gz AYQPWDYTMAUHMX-MRXNPFEDSA-N 2 2 361.494 0.334 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655444509 492443302 /nfs/dbraw/zinc/44/33/02/492443302.db2.gz GBNADTXUDAYNGM-FUHIMQAGSA-N 2 2 362.518 0.921 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379214 492443789 /nfs/dbraw/zinc/44/37/89/492443789.db2.gz NFWXASFFIHUINF-HOCLYGCPSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379214 492443793 /nfs/dbraw/zinc/44/37/93/492443793.db2.gz NFWXASFFIHUINF-HOCLYGCPSA-N 2 2 354.495 0.336 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000643474091 492472464 /nfs/dbraw/zinc/47/24/64/492472464.db2.gz WMQONKIOEDXYAN-DLBZAZTESA-N 2 2 371.485 0.578 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643476752 492473049 /nfs/dbraw/zinc/47/30/49/492473049.db2.gz PEIPGGVAACLYAT-CVEARBPZSA-N 2 2 354.495 0.141 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000643477879 492474113 /nfs/dbraw/zinc/47/41/13/492474113.db2.gz HJDUOPLZTCLWKQ-ZBFHGGJFSA-N 2 2 362.499 0.603 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000643477878 492474283 /nfs/dbraw/zinc/47/42/83/492474283.db2.gz HJDUOPLZTCLWKQ-HOCLYGCPSA-N 2 2 362.499 0.603 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)CC2)c1 ZINC000643477022 492474338 /nfs/dbraw/zinc/47/43/38/492474338.db2.gz SNGLLRZGSZAPHO-MOPGFXCFSA-N 2 2 370.497 0.850 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000643478937 492475576 /nfs/dbraw/zinc/47/55/76/492475576.db2.gz SIYMKTZAAZGPGM-INIZCTEOSA-N 2 2 360.458 0.207 20 0 FCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635579043 492476369 /nfs/dbraw/zinc/47/63/69/492476369.db2.gz WSEKDXVQOQQHCH-RDJZCZTQSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635579043 492476375 /nfs/dbraw/zinc/47/63/75/492476375.db2.gz WSEKDXVQOQQHCH-RDJZCZTQSA-N 2 2 364.490 0.053 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655702401 492477209 /nfs/dbraw/zinc/47/72/09/492477209.db2.gz VUYHAYHYYRTXAH-MRXNPFEDSA-N 2 2 353.488 0.808 20 0 FCADLP O=C1[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1C1CCOCC1 ZINC000655731897 492478636 /nfs/dbraw/zinc/47/86/36/492478636.db2.gz VITPMTWBXBEQDD-ZWKOTPCHSA-N 2 2 351.491 0.999 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714370 492478841 /nfs/dbraw/zinc/47/88/41/492478841.db2.gz BRPNZIJTYYBDAY-AEFFLSMTSA-N 3 2 352.523 0.807 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655714370 492478844 /nfs/dbraw/zinc/47/88/44/492478844.db2.gz BRPNZIJTYYBDAY-AEFFLSMTSA-N 3 2 352.523 0.807 20 0 FCADLP O=S(=O)(CCO)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655758963 492479424 /nfs/dbraw/zinc/47/94/24/492479424.db2.gz HFFPXBUDKILXQB-KRWDZBQOSA-N 2 2 368.499 0.796 20 0 FCADLP Cc1cn2ccc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)cc2[nH+]1 ZINC000635604878 492480152 /nfs/dbraw/zinc/48/01/52/492480152.db2.gz IDXDYGDSMVJHOE-UHFFFAOYSA-N 2 2 369.429 0.769 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1C ZINC000643503111 492483705 /nfs/dbraw/zinc/48/37/05/492483705.db2.gz KIBKXKJZJZJDCK-HOCLYGCPSA-N 2 2 360.458 0.876 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643514578 492487108 /nfs/dbraw/zinc/48/71/08/492487108.db2.gz VKJSNMHZGQTHQD-RYRKJORJSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643514578 492487112 /nfs/dbraw/zinc/48/71/12/492487112.db2.gz VKJSNMHZGQTHQD-RYRKJORJSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562932 492498410 /nfs/dbraw/zinc/49/84/10/492498410.db2.gz DKTOBCOYCUMLIT-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562932 492498413 /nfs/dbraw/zinc/49/84/13/492498413.db2.gz DKTOBCOYCUMLIT-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000643563120 492498552 /nfs/dbraw/zinc/49/85/52/492498552.db2.gz IYCMGJKVRXPAIR-SOLBZPMBSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000643563120 492498556 /nfs/dbraw/zinc/49/85/56/492498556.db2.gz IYCMGJKVRXPAIR-SOLBZPMBSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@H]1[NH3+] ZINC000643553858 492498766 /nfs/dbraw/zinc/49/87/66/492498766.db2.gz SUOYRDDVDTXEFX-CZUORRHYSA-N 2 2 359.474 0.731 20 0 FCADLP CN(c1ccccc1C[NH+]1CC(NS(C)(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000628429198 492502065 /nfs/dbraw/zinc/50/20/65/492502065.db2.gz ZLEQRRNBMCCXBF-UHFFFAOYSA-N 2 2 366.531 0.950 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)Cc2[nH]ccc2C(=O)NC2C[NH+](C(C)C)C2)C1 ZINC000635821944 492509117 /nfs/dbraw/zinc/50/91/17/492509117.db2.gz NDFXYUKGBAZAMG-UHFFFAOYSA-N 2 2 361.490 0.588 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000628575986 492519198 /nfs/dbraw/zinc/51/91/98/492519198.db2.gz PONSMLRRBLFBAB-APWZRJJASA-N 2 2 351.491 0.593 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000628575986 492519201 /nfs/dbraw/zinc/51/92/01/492519201.db2.gz PONSMLRRBLFBAB-APWZRJJASA-N 2 2 351.491 0.593 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649295983 492524538 /nfs/dbraw/zinc/52/45/38/492524538.db2.gz NOZSOKZJMSWJNZ-WMZOPIPTSA-N 2 2 370.457 0.616 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1 ZINC000635959034 492533778 /nfs/dbraw/zinc/53/37/78/492533778.db2.gz AWYPNRVOAAXHEU-FQEVSTJZSA-N 2 2 372.513 0.975 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1 ZINC000635959034 492533782 /nfs/dbraw/zinc/53/37/82/492533782.db2.gz AWYPNRVOAAXHEU-FQEVSTJZSA-N 2 2 372.513 0.975 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1 ZINC000635959034 492533790 /nfs/dbraw/zinc/53/37/90/492533790.db2.gz AWYPNRVOAAXHEU-FQEVSTJZSA-N 2 2 372.513 0.975 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410748 492552717 /nfs/dbraw/zinc/55/27/17/492552717.db2.gz QMMGHGCQZAVSBB-QAPCUYQASA-N 2 2 364.465 0.912 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410748 492552719 /nfs/dbraw/zinc/55/27/19/492552719.db2.gz QMMGHGCQZAVSBB-QAPCUYQASA-N 2 2 364.465 0.912 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000623425861 492553741 /nfs/dbraw/zinc/55/37/41/492553741.db2.gz RODXBRIGZGYONW-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP O=C([C@H]1C[NH2+]CCOC1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000643799236 492563946 /nfs/dbraw/zinc/56/39/46/492563946.db2.gz ASQRGYSSWDUKIJ-HOTGVXAUSA-N 2 2 360.458 0.898 20 0 FCADLP O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000643799235 492564421 /nfs/dbraw/zinc/56/44/21/492564421.db2.gz ASQRGYSSWDUKIJ-CVEARBPZSA-N 2 2 360.458 0.898 20 0 FCADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NCC[NH+]1CCCCCC1 ZINC000656259577 492566194 /nfs/dbraw/zinc/56/61/94/492566194.db2.gz ANCLBFTXIQLJLC-SFHVURJKSA-N 3 2 352.523 0.822 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636252700 492570684 /nfs/dbraw/zinc/57/06/84/492570684.db2.gz DHXWRQLLGKRMTR-APWZRJJASA-N 2 2 351.491 0.735 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636252700 492570686 /nfs/dbraw/zinc/57/06/86/492570686.db2.gz DHXWRQLLGKRMTR-APWZRJJASA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636252700 492570689 /nfs/dbraw/zinc/57/06/89/492570689.db2.gz DHXWRQLLGKRMTR-APWZRJJASA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636252700 492570692 /nfs/dbraw/zinc/57/06/92/492570692.db2.gz DHXWRQLLGKRMTR-APWZRJJASA-N 2 2 351.491 0.735 20 0 FCADLP CNC(=O)C[C@]1(O)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643817894 492576194 /nfs/dbraw/zinc/57/61/94/492576194.db2.gz DMOLRKGVTJFFHO-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP CNC(=O)C[C@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643817894 492576201 /nfs/dbraw/zinc/57/62/01/492576201.db2.gz DMOLRKGVTJFFHO-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000636318079 492582388 /nfs/dbraw/zinc/58/23/88/492582388.db2.gz PIRBORHEIMWYDC-UHFFFAOYSA-N 2 2 374.485 0.365 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656324155 492592662 /nfs/dbraw/zinc/59/26/62/492592662.db2.gz MEAVMUZJCJNWSA-IKGGRYGDSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656324155 492592664 /nfs/dbraw/zinc/59/26/64/492592664.db2.gz MEAVMUZJCJNWSA-IKGGRYGDSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464979 492593406 /nfs/dbraw/zinc/59/34/06/492593406.db2.gz OSZKFOFXAALREA-MSOLQXFVSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464979 492593411 /nfs/dbraw/zinc/59/34/11/492593411.db2.gz OSZKFOFXAALREA-MSOLQXFVSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636464979 492593415 /nfs/dbraw/zinc/59/34/15/492593415.db2.gz OSZKFOFXAALREA-MSOLQXFVSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636464979 492593419 /nfs/dbraw/zinc/59/34/19/492593419.db2.gz OSZKFOFXAALREA-MSOLQXFVSA-N 2 2 362.474 0.253 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000656333806 492598452 /nfs/dbraw/zinc/59/84/52/492598452.db2.gz LGWWQQGXHWIROY-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000656333806 492598454 /nfs/dbraw/zinc/59/84/54/492598454.db2.gz LGWWQQGXHWIROY-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000636488499 492599105 /nfs/dbraw/zinc/59/91/05/492599105.db2.gz XVSWRKXZKFTRSS-SFHVURJKSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000636488499 492599109 /nfs/dbraw/zinc/59/91/09/492599109.db2.gz XVSWRKXZKFTRSS-SFHVURJKSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497902 492601152 /nfs/dbraw/zinc/60/11/52/492601152.db2.gz AXVDTPCSVVMUTP-ROUUACIJSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497902 492601156 /nfs/dbraw/zinc/60/11/56/492601156.db2.gz AXVDTPCSVVMUTP-ROUUACIJSA-N 2 2 362.474 0.426 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000656359876 492612841 /nfs/dbraw/zinc/61/28/41/492612841.db2.gz QUWKWSLZEQTBOQ-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000656359876 492612846 /nfs/dbraw/zinc/61/28/46/492612846.db2.gz QUWKWSLZEQTBOQ-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000656359876 492612849 /nfs/dbraw/zinc/61/28/49/492612849.db2.gz QUWKWSLZEQTBOQ-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000656359876 492612855 /nfs/dbraw/zinc/61/28/55/492612855.db2.gz QUWKWSLZEQTBOQ-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3nc(N)[nH+]c(N)n3)CC2)cs1 ZINC000624026716 492613746 /nfs/dbraw/zinc/61/37/46/492613746.db2.gz REKIUNGYBKDEQG-SNVBAGLBSA-N 2 2 364.479 0.573 20 0 FCADLP CO[C@H](C)c1nc(C[N@H+]2CCCN(c3nc(N)[nH+]c(N)n3)CC2)cs1 ZINC000624026716 492613749 /nfs/dbraw/zinc/61/37/49/492613749.db2.gz REKIUNGYBKDEQG-SNVBAGLBSA-N 2 2 364.479 0.573 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578591 492627616 /nfs/dbraw/zinc/62/76/16/492627616.db2.gz MBNSIYUSVDOQDN-AEFFLSMTSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578591 492627619 /nfs/dbraw/zinc/62/76/19/492627619.db2.gz MBNSIYUSVDOQDN-AEFFLSMTSA-N 2 2 358.490 0.973 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596629 492633628 /nfs/dbraw/zinc/63/36/28/492633628.db2.gz UDJGMNDJAHCGQR-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596629 492633631 /nfs/dbraw/zinc/63/36/31/492633631.db2.gz UDJGMNDJAHCGQR-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596629 492633634 /nfs/dbraw/zinc/63/36/34/492633634.db2.gz UDJGMNDJAHCGQR-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596629 492633638 /nfs/dbraw/zinc/63/36/38/492633638.db2.gz UDJGMNDJAHCGQR-JTDSTZFVSA-N 2 2 366.506 0.528 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000656698387 492643027 /nfs/dbraw/zinc/64/30/27/492643027.db2.gz YFCRNXYTLHLOQS-QAPCUYQASA-N 2 2 359.474 0.817 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000656698387 492643031 /nfs/dbraw/zinc/64/30/31/492643031.db2.gz YFCRNXYTLHLOQS-QAPCUYQASA-N 2 2 359.474 0.817 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699684 492643452 /nfs/dbraw/zinc/64/34/52/492643452.db2.gz SWOZXTBRLSNZAE-CVEARBPZSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699684 492643456 /nfs/dbraw/zinc/64/34/56/492643456.db2.gz SWOZXTBRLSNZAE-CVEARBPZSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000656699684 492643458 /nfs/dbraw/zinc/64/34/58/492643458.db2.gz SWOZXTBRLSNZAE-CVEARBPZSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000656699684 492643461 /nfs/dbraw/zinc/64/34/61/492643461.db2.gz SWOZXTBRLSNZAE-CVEARBPZSA-N 2 2 369.510 0.986 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561739 492645308 /nfs/dbraw/zinc/64/53/08/492645308.db2.gz ZCZORRHYDHXAQN-VQTJNVASSA-N 3 2 374.529 0.930 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561739 492645309 /nfs/dbraw/zinc/64/53/09/492645309.db2.gz ZCZORRHYDHXAQN-VQTJNVASSA-N 3 2 374.529 0.930 20 0 FCADLP COCCNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000629565922 492646196 /nfs/dbraw/zinc/64/61/96/492646196.db2.gz QPUMIVVEATUCLC-INIZCTEOSA-N 2 2 371.503 0.158 20 0 FCADLP COCCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629574353 492651819 /nfs/dbraw/zinc/65/18/19/492651819.db2.gz HAHMAKWTRNXLPW-MRXNPFEDSA-N 2 2 356.488 0.653 20 0 FCADLP CC[N@H+](CC[NH3+])Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000629651602 492661786 /nfs/dbraw/zinc/66/17/86/492661786.db2.gz UFTVBZIIMRPETG-UHFFFAOYSA-N 2 2 351.447 0.713 20 0 FCADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000629651602 492661790 /nfs/dbraw/zinc/66/17/90/492661790.db2.gz UFTVBZIIMRPETG-UHFFFAOYSA-N 2 2 351.447 0.713 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000650697552 492662034 /nfs/dbraw/zinc/66/20/34/492662034.db2.gz MDDLUNGLNURKCC-UHFFFAOYSA-N 2 2 353.467 0.572 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000636698855 492663771 /nfs/dbraw/zinc/66/37/71/492663771.db2.gz PCGXYMPZPHYYOK-UHFFFAOYSA-N 2 2 351.451 0.374 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@H]2[NH3+])cn1 ZINC000644198082 492666484 /nfs/dbraw/zinc/66/64/84/492666484.db2.gz FAYUMOQTFZTONL-HRCADAONSA-N 2 2 355.446 0.530 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@H]1O ZINC000636706519 492666874 /nfs/dbraw/zinc/66/68/74/492666874.db2.gz ATBQCGBLFDWDSR-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@H]1O ZINC000636706519 492666877 /nfs/dbraw/zinc/66/68/77/492666877.db2.gz ATBQCGBLFDWDSR-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000650865631 492677575 /nfs/dbraw/zinc/67/75/75/492677575.db2.gz FEDZBOBESGHMHT-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000650865631 492677577 /nfs/dbraw/zinc/67/75/77/492677577.db2.gz FEDZBOBESGHMHT-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650865631 492677580 /nfs/dbraw/zinc/67/75/80/492677580.db2.gz FEDZBOBESGHMHT-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650865631 492677582 /nfs/dbraw/zinc/67/75/82/492677582.db2.gz FEDZBOBESGHMHT-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000650869184 492678539 /nfs/dbraw/zinc/67/85/39/492678539.db2.gz SLUXSKIZQRRBLK-UHFFFAOYSA-N 2 2 360.524 0.025 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@]3(O)CCCOC3)C2)CC1 ZINC000650876726 492679878 /nfs/dbraw/zinc/67/98/78/492679878.db2.gz FBFVGIOCLUSREK-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@]3(O)CCCOC3)C2)CC1 ZINC000650876726 492679881 /nfs/dbraw/zinc/67/98/81/492679881.db2.gz FBFVGIOCLUSREK-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636747479 492680946 /nfs/dbraw/zinc/68/09/46/492680946.db2.gz PLRCCZFOSFQAKP-HNNXBMFYSA-N 2 2 363.510 0.907 20 0 FCADLP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636911737 492726970 /nfs/dbraw/zinc/72/69/70/492726970.db2.gz BUTDXYBPEBPYCH-DAYGRLMNSA-N 2 2 354.495 0.242 20 0 FCADLP CC[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636911737 492726974 /nfs/dbraw/zinc/72/69/74/492726974.db2.gz BUTDXYBPEBPYCH-DAYGRLMNSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](C)[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000636911737 492726978 /nfs/dbraw/zinc/72/69/78/492726978.db2.gz BUTDXYBPEBPYCH-DAYGRLMNSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](C)[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000636911737 492726982 /nfs/dbraw/zinc/72/69/82/492726982.db2.gz BUTDXYBPEBPYCH-DAYGRLMNSA-N 2 2 354.495 0.242 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000625152236 492731170 /nfs/dbraw/zinc/73/11/70/492731170.db2.gz WGGQWPZYMSZBRV-BPUTZDHNSA-N 2 2 363.462 0.261 20 0 FCADLP Cc1nnnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000651322139 492742268 /nfs/dbraw/zinc/74/22/68/492742268.db2.gz FPNQWCJQEAZJMG-INIZCTEOSA-N 2 2 369.473 0.869 20 0 FCADLP Cc1nnnn1-c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000651322139 492742272 /nfs/dbraw/zinc/74/22/72/492742272.db2.gz FPNQWCJQEAZJMG-INIZCTEOSA-N 2 2 369.473 0.869 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630394604 492745151 /nfs/dbraw/zinc/74/51/51/492745151.db2.gz JAHJZBGAPAIQRR-WMLDXEAASA-N 2 2 351.451 0.187 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630394604 492745153 /nfs/dbraw/zinc/74/51/53/492745153.db2.gz JAHJZBGAPAIQRR-WMLDXEAASA-N 2 2 351.451 0.187 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630394605 492745216 /nfs/dbraw/zinc/74/52/16/492745216.db2.gz JAHJZBGAPAIQRR-YOEHRIQHSA-N 2 2 351.451 0.187 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630394605 492745218 /nfs/dbraw/zinc/74/52/18/492745218.db2.gz JAHJZBGAPAIQRR-YOEHRIQHSA-N 2 2 351.451 0.187 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000630406279 492745321 /nfs/dbraw/zinc/74/53/21/492745321.db2.gz JRXVUWHEVCINMO-HOTGVXAUSA-N 2 2 358.446 0.819 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625267124 492748507 /nfs/dbraw/zinc/74/85/07/492748507.db2.gz FXORCFVSRIITTD-KBMXLJTQSA-N 2 2 363.462 0.119 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625267124 492748511 /nfs/dbraw/zinc/74/85/11/492748511.db2.gz FXORCFVSRIITTD-KBMXLJTQSA-N 2 2 363.462 0.119 20 0 FCADLP [NH3+]Cc1cccc(-n2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)c1 ZINC000630607519 492755596 /nfs/dbraw/zinc/75/55/96/492755596.db2.gz JGSXKLMAZGNMIR-UHFFFAOYSA-N 2 2 353.430 0.803 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000630747709 492771841 /nfs/dbraw/zinc/77/18/41/492771841.db2.gz VDOVGHBOTZKNLI-QKPAOTATSA-N 2 2 358.446 0.815 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[N@@H+](CC)CC2)[C@H]1c1[nH+]ccn1C ZINC000625395132 492772786 /nfs/dbraw/zinc/77/27/86/492772786.db2.gz DBXXPUORVOZMBD-HOTGVXAUSA-N 2 2 363.462 0.263 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)cc2[nH+]1 ZINC000657666201 492774587 /nfs/dbraw/zinc/77/45/87/492774587.db2.gz NNGLBDYHQJIDHO-CYBMUJFWSA-N 2 2 359.430 0.666 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccccc1F ZINC000644569657 492786159 /nfs/dbraw/zinc/78/61/59/492786159.db2.gz JMODVXNCCYRNEE-IAGOWNOFSA-N 2 2 367.465 0.562 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657741168 492786659 /nfs/dbraw/zinc/78/66/59/492786659.db2.gz DQTVXZLULVXJFO-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657744443 492788975 /nfs/dbraw/zinc/78/89/75/492788975.db2.gz JSWGJKAOYBPDGY-KRWDZBQOSA-N 2 2 364.490 0.006 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cn2)CC1 ZINC000657751353 492790610 /nfs/dbraw/zinc/79/06/10/492790610.db2.gz QXLVOKHMFWMBMP-GOSISDBHSA-N 3 2 360.506 0.571 20 0 FCADLP Cc1cn(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C)[nH+]1 ZINC000631014466 492793009 /nfs/dbraw/zinc/79/30/09/492793009.db2.gz STBQGNSTUIZEGR-UHFFFAOYSA-N 2 2 354.418 0.525 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cc2[nH+]1 ZINC000657810609 492798724 /nfs/dbraw/zinc/79/87/24/492798724.db2.gz FPBMICKHFOQDCY-CQSZACIVSA-N 2 2 373.457 0.885 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cc2[nH+]1 ZINC000657810609 492798726 /nfs/dbraw/zinc/79/87/26/492798726.db2.gz FPBMICKHFOQDCY-CQSZACIVSA-N 2 2 373.457 0.885 20 0 FCADLP CCn1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000657839619 492801348 /nfs/dbraw/zinc/80/13/48/492801348.db2.gz XKBBVCDKQCRUME-OAHLLOKOSA-N 2 2 362.478 0.468 20 0 FCADLP CCn1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000657839619 492801353 /nfs/dbraw/zinc/80/13/53/492801353.db2.gz XKBBVCDKQCRUME-OAHLLOKOSA-N 2 2 362.478 0.468 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000637260829 492801677 /nfs/dbraw/zinc/80/16/77/492801677.db2.gz SPZNSYVOOXPTSK-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000637260829 492801679 /nfs/dbraw/zinc/80/16/79/492801679.db2.gz SPZNSYVOOXPTSK-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000637260829 492801681 /nfs/dbraw/zinc/80/16/81/492801681.db2.gz SPZNSYVOOXPTSK-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000637260829 492801683 /nfs/dbraw/zinc/80/16/83/492801683.db2.gz SPZNSYVOOXPTSK-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631165861 492802274 /nfs/dbraw/zinc/80/22/74/492802274.db2.gz CSLUTPPAOKEDEQ-UHFFFAOYSA-N 2 2 361.895 0.924 20 0 FCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000637372389 492812757 /nfs/dbraw/zinc/81/27/57/492812757.db2.gz CVGOQFOSKDMRGD-UONOGXRCSA-N 2 2 362.478 0.852 20 0 FCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000637372389 492812761 /nfs/dbraw/zinc/81/27/61/492812761.db2.gz CVGOQFOSKDMRGD-UONOGXRCSA-N 2 2 362.478 0.852 20 0 FCADLP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000637375539 492815006 /nfs/dbraw/zinc/81/50/06/492815006.db2.gz MKYBBDHOPAAGGA-OWCLPIDISA-N 2 2 362.478 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000637375539 492815008 /nfs/dbraw/zinc/81/50/08/492815008.db2.gz MKYBBDHOPAAGGA-OWCLPIDISA-N 2 2 362.478 0.815 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](CCCO)C3)cc2[nH+]1 ZINC000657982294 492825139 /nfs/dbraw/zinc/82/51/39/492825139.db2.gz ZNSFJMAUEAJJFE-HNNXBMFYSA-N 2 2 359.430 0.544 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cc2[nH+]1 ZINC000657982294 492825148 /nfs/dbraw/zinc/82/51/48/492825148.db2.gz ZNSFJMAUEAJJFE-HNNXBMFYSA-N 2 2 359.430 0.544 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990001 492836470 /nfs/dbraw/zinc/83/64/70/492836470.db2.gz PRSGJESJHDZSGU-MUGJNUQGSA-N 4 2 356.514 0.998 20 0 FCADLP CN(C)c1ccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)c[nH+]1 ZINC000631726702 492842737 /nfs/dbraw/zinc/84/27/37/492842737.db2.gz QXEFRZRZOGVNIH-UHFFFAOYSA-N 2 2 355.508 0.205 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668796 492856908 /nfs/dbraw/zinc/85/69/08/492856908.db2.gz JTUURZJDAKLMJY-UHFFFAOYSA-N 2 2 350.467 0.946 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846388 492860885 /nfs/dbraw/zinc/86/08/85/492860885.db2.gz YGWNPGUSUUSSAO-JKSUJKDBSA-N 2 2 356.430 0.104 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846388 492860890 /nfs/dbraw/zinc/86/08/90/492860890.db2.gz YGWNPGUSUUSSAO-JKSUJKDBSA-N 2 2 356.430 0.104 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)NCCC(=O)N3CC[NH+](C)CC3)cn21 ZINC000645159708 492874446 /nfs/dbraw/zinc/87/44/46/492874446.db2.gz KNNKDUMQJQTYMS-UHFFFAOYSA-N 2 2 372.473 0.649 20 0 FCADLP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000645265546 492885572 /nfs/dbraw/zinc/88/55/72/492885572.db2.gz KLZKZNIMFUZJTB-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145878 492886190 /nfs/dbraw/zinc/88/61/90/492886190.db2.gz BIPTTZMVTHYUEZ-TWMKSMIVSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145878 492886192 /nfs/dbraw/zinc/88/61/92/492886192.db2.gz BIPTTZMVTHYUEZ-TWMKSMIVSA-N 2 2 354.495 0.635 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645275543 492887060 /nfs/dbraw/zinc/88/70/60/492887060.db2.gz UEJGUDOJMRIVCO-HNNXBMFYSA-N 2 2 371.445 0.192 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645301639 492890930 /nfs/dbraw/zinc/89/09/30/492890930.db2.gz CWLRHLHYVYPTEI-GDBMZVCRSA-N 2 2 350.467 0.117 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000631946054 492895250 /nfs/dbraw/zinc/89/52/50/492895250.db2.gz QGZJENWPOPFQBH-SFHVURJKSA-N 2 2 369.531 0.801 20 0 FCADLP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638051685 492897008 /nfs/dbraw/zinc/89/70/08/492897008.db2.gz OMEDAMWTMQOLCK-UONOGXRCSA-N 2 2 350.488 0.822 20 0 FCADLP O=C(CN1CC[NH2+]CC1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000638058093 492897950 /nfs/dbraw/zinc/89/79/50/492897950.db2.gz ZNEBXBVFCWDCIX-UHFFFAOYSA-N 2 2 359.474 0.111 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)cc1F ZINC000638082228 492902067 /nfs/dbraw/zinc/90/20/67/492902067.db2.gz GHYTYGSOSMUKEW-LBPRGKRZSA-N 2 2 359.405 0.756 20 0 FCADLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1-c1ccn(C)n1 ZINC000645407694 492902597 /nfs/dbraw/zinc/90/25/97/492902597.db2.gz RKRPJJXEHVMNPN-AWEZNQCLSA-N 2 2 372.477 0.208 20 0 FCADLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1-c1ccn(C)n1 ZINC000645407694 492902601 /nfs/dbraw/zinc/90/26/01/492902601.db2.gz RKRPJJXEHVMNPN-AWEZNQCLSA-N 2 2 372.477 0.208 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090320 492903967 /nfs/dbraw/zinc/90/39/67/492903967.db2.gz HZYFYCOTPKGWJY-QWRGUYRKSA-N 2 2 358.393 0.201 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638090320 492903972 /nfs/dbraw/zinc/90/39/72/492903972.db2.gz HZYFYCOTPKGWJY-QWRGUYRKSA-N 2 2 358.393 0.201 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104426 492907180 /nfs/dbraw/zinc/90/71/80/492907180.db2.gz ZPOHDPNVZPFITO-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638104426 492907184 /nfs/dbraw/zinc/90/71/84/492907184.db2.gz ZPOHDPNVZPFITO-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@@H+]2CC[C@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625959642 492908799 /nfs/dbraw/zinc/90/87/99/492908799.db2.gz KPCOCWRFSCLFFI-BPUTZDHNSA-N 2 2 363.462 0.167 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@H+]2CC[C@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625959642 492908803 /nfs/dbraw/zinc/90/88/03/492908803.db2.gz KPCOCWRFSCLFFI-BPUTZDHNSA-N 2 2 363.462 0.167 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363322 492916484 /nfs/dbraw/zinc/91/64/84/492916484.db2.gz AYOLDGBJUKXCFZ-ZACQAIPSSA-N 2 2 364.494 0.961 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363322 492916489 /nfs/dbraw/zinc/91/64/89/492916489.db2.gz AYOLDGBJUKXCFZ-ZACQAIPSSA-N 2 2 364.494 0.961 20 0 FCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000638140596 492916697 /nfs/dbraw/zinc/91/66/97/492916697.db2.gz NPECFIHNMYBTGA-QFBILLFUSA-N 2 2 371.485 0.997 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652400072 492924309 /nfs/dbraw/zinc/92/43/09/492924309.db2.gz VHNBIKLSIQDRBA-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000632099557 492929409 /nfs/dbraw/zinc/92/94/09/492929409.db2.gz LGKMNKAPQYSOGU-IRXDYDNUSA-N 2 2 369.535 0.733 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101176 492929627 /nfs/dbraw/zinc/92/96/27/492929627.db2.gz QTSZGEBGCYLYKC-HZPDHXFCSA-N 2 2 363.510 0.656 20 0 FCADLP CN(C(=O)Cn1cnc(N)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101176 492929629 /nfs/dbraw/zinc/92/96/29/492929629.db2.gz QTSZGEBGCYLYKC-HZPDHXFCSA-N 2 2 363.510 0.656 20 0 FCADLP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)N1CC[NH2+]CC1=O ZINC000638296114 492930158 /nfs/dbraw/zinc/93/01/58/492930158.db2.gz GBLUPJRERKTHAM-ZIAGYGMSSA-N 2 2 350.488 0.774 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cn2cc[nH+]c12 ZINC000658534557 492934538 /nfs/dbraw/zinc/93/45/38/492934538.db2.gz FATLXHKGAMHXFT-HNNXBMFYSA-N 2 2 357.414 0.514 20 0 FCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658538633 492936909 /nfs/dbraw/zinc/93/69/09/492936909.db2.gz YBJJFXJCGVOZPG-OAHLLOKOSA-N 2 2 370.413 0.139 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccoc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000658540116 492937470 /nfs/dbraw/zinc/93/74/70/492937470.db2.gz PJLZHQYBUGGUNF-QGZVFWFLSA-N 2 2 362.474 0.565 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccoc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000658540116 492937475 /nfs/dbraw/zinc/93/74/75/492937475.db2.gz PJLZHQYBUGGUNF-QGZVFWFLSA-N 2 2 362.474 0.565 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@H+](CC)[C@H](C)C2)[C@@H]1c1[nH+]ccn1C ZINC000626260343 492954359 /nfs/dbraw/zinc/95/43/59/492954359.db2.gz HXVZLQSVYFILRU-FVQBIDKESA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@@H+](CC)[C@H](C)C2)[C@@H]1c1[nH+]ccn1C ZINC000626260343 492954362 /nfs/dbraw/zinc/95/43/62/492954362.db2.gz HXVZLQSVYFILRU-FVQBIDKESA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)Nc2cc(N(C)C)cc[nH+]2)[C@H]1c1[nH+]ccn1C ZINC000626429875 492975414 /nfs/dbraw/zinc/97/54/14/492975414.db2.gz GQEZRQAWBCUZRF-HOTGVXAUSA-N 2 2 372.429 0.808 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000626518442 492986429 /nfs/dbraw/zinc/98/64/29/492986429.db2.gz MQPIDHHJGFDNAT-VDERGJSUSA-N 2 2 363.462 0.307 20 0 FCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1COc2ccc(O)cc2O1 ZINC000638984102 492990478 /nfs/dbraw/zinc/99/04/78/492990478.db2.gz RNKWHGJAWIUVEY-MRXNPFEDSA-N 2 2 356.382 0.975 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941208 492990816 /nfs/dbraw/zinc/99/08/16/492990816.db2.gz UGJWTDLAOKVIEH-CTNGQTDRSA-N 2 2 372.513 0.393 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000639003263 492991591 /nfs/dbraw/zinc/99/15/91/492991591.db2.gz FTNFCGNFOORYTG-SFHVURJKSA-N 2 2 355.442 0.872 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978118 492994896 /nfs/dbraw/zinc/99/48/96/492994896.db2.gz SHHCDTZFGDAXDJ-WMZOPIPTSA-N 3 2 360.506 0.706 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978118 492994899 /nfs/dbraw/zinc/99/48/99/492994899.db2.gz SHHCDTZFGDAXDJ-WMZOPIPTSA-N 3 2 360.506 0.706 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H](CO)O1 ZINC000639092798 492995477 /nfs/dbraw/zinc/99/54/77/492995477.db2.gz CIBYMHINQDJDIA-LPHOPBHVSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H](CO)O1 ZINC000639092798 492995478 /nfs/dbraw/zinc/99/54/78/492995478.db2.gz CIBYMHINQDJDIA-LPHOPBHVSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981746 492996107 /nfs/dbraw/zinc/99/61/07/492996107.db2.gz XDNCKPVJJROVEM-HRCADAONSA-N 2 2 374.489 0.396 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981746 492996109 /nfs/dbraw/zinc/99/61/09/492996109.db2.gz XDNCKPVJJROVEM-HRCADAONSA-N 2 2 374.489 0.396 20 0 FCADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000639141736 492998778 /nfs/dbraw/zinc/99/87/78/492998778.db2.gz RKDZLRSEAOYFBR-MRXNPFEDSA-N 2 2 353.488 0.878 20 0 FCADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000639141736 492998780 /nfs/dbraw/zinc/99/87/80/492998780.db2.gz RKDZLRSEAOYFBR-MRXNPFEDSA-N 2 2 353.488 0.878 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000646106236 493013524 /nfs/dbraw/zinc/01/35/24/493013524.db2.gz SQSJBOJWZPPUHM-HOTGVXAUSA-N 2 2 353.488 0.481 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000646106236 493013526 /nfs/dbraw/zinc/01/35/26/493013526.db2.gz SQSJBOJWZPPUHM-HOTGVXAUSA-N 2 2 353.488 0.481 20 0 FCADLP O=C1COc2ccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc2N1 ZINC000646139709 493018363 /nfs/dbraw/zinc/01/83/63/493018363.db2.gz HWIFTQJLOBDNKX-MRXNPFEDSA-N 2 2 360.458 0.514 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cn21 ZINC000646234764 493031623 /nfs/dbraw/zinc/03/16/23/493031623.db2.gz PTWIHZNIYSXPHB-KRWDZBQOSA-N 2 2 356.474 0.874 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892586 493036099 /nfs/dbraw/zinc/03/60/99/493036099.db2.gz KXKWNQLDWMCTCF-GFCCVEGCSA-N 2 2 350.369 0.900 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892586 493036100 /nfs/dbraw/zinc/03/61/00/493036100.db2.gz KXKWNQLDWMCTCF-GFCCVEGCSA-N 2 2 350.369 0.900 20 0 FCADLP CCCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000646275818 493036147 /nfs/dbraw/zinc/03/61/47/493036147.db2.gz MBYDPDIMIOJSBC-MRXNPFEDSA-N 2 2 364.494 1.163 20 0 FCADLP CCCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000646275818 493036149 /nfs/dbraw/zinc/03/61/49/493036149.db2.gz MBYDPDIMIOJSBC-MRXNPFEDSA-N 2 2 364.494 1.163 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000632594049 493040262 /nfs/dbraw/zinc/04/02/62/493040262.db2.gz LADJEFYCZCZTAB-CALCHBBNSA-N 2 2 367.453 0.959 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000632594049 493040265 /nfs/dbraw/zinc/04/02/65/493040265.db2.gz LADJEFYCZCZTAB-CALCHBBNSA-N 2 2 367.453 0.959 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000626880320 493046806 /nfs/dbraw/zinc/04/68/06/493046806.db2.gz WQNVHBSJYUTXLS-AWEZNQCLSA-N 2 2 356.382 0.917 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nn1 ZINC000646440865 493048239 /nfs/dbraw/zinc/04/82/39/493048239.db2.gz JKUUAVSHDYQFPG-GOEBONIOSA-N 2 2 350.467 0.390 20 0 FCADLP C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](CO)C1 ZINC000639868937 493061109 /nfs/dbraw/zinc/06/11/09/493061109.db2.gz PWJIAGTWQBOJET-HNNXBMFYSA-N 2 2 352.504 0.001 20 0 FCADLP C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](CO)C1 ZINC000639868937 493061113 /nfs/dbraw/zinc/06/11/13/493061113.db2.gz PWJIAGTWQBOJET-HNNXBMFYSA-N 2 2 352.504 0.001 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000653080611 493068066 /nfs/dbraw/zinc/06/80/66/493068066.db2.gz MXCSEKMHMPEECK-NEPJUHHUSA-N 2 2 357.252 0.371 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626925684 493064645 /nfs/dbraw/zinc/06/46/45/493064645.db2.gz PFVDGXIRIVRIFV-HNNXBMFYSA-N 2 2 368.445 0.970 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]2CCOCC2)c1 ZINC000626934139 493066322 /nfs/dbraw/zinc/06/63/22/493066322.db2.gz TZNFWUAJWLMFBG-GOSISDBHSA-N 2 2 364.490 0.985 20 0 FCADLP C[NH2+]CCOCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000626931503 493066634 /nfs/dbraw/zinc/06/66/34/493066634.db2.gz GZMNKSNCMUNGSE-CQSZACIVSA-N 2 2 351.451 0.342 20 0 FCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000653075759 493067196 /nfs/dbraw/zinc/06/71/96/493067196.db2.gz ZRJFFOBWUXMWGI-SWLSCSKDSA-N 2 2 356.492 0.393 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000626936479 493067242 /nfs/dbraw/zinc/06/72/42/493067242.db2.gz KNZOFQSJLPMGFL-MRXNPFEDSA-N 2 2 365.453 0.235 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000653077570 493067310 /nfs/dbraw/zinc/06/73/10/493067310.db2.gz CXUPODBRDOUIPU-HNNXBMFYSA-N 2 2 363.458 0.859 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000653082758 493067754 /nfs/dbraw/zinc/06/77/54/493067754.db2.gz COYNOXWMOJKOFB-SFHVURJKSA-N 2 2 360.502 0.959 20 0 FCADLP COc1ccc(OC)c(CN2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653105470 493070583 /nfs/dbraw/zinc/07/05/83/493070583.db2.gz XEAMBJKHJSOCTL-KRWDZBQOSA-N 2 2 364.490 0.627 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1)Nc1ccccc1 ZINC000653107321 493070655 /nfs/dbraw/zinc/07/06/55/493070655.db2.gz DYKCDIBUFVHYMI-YWZLYKJASA-N 2 2 372.469 0.442 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000653111491 493071911 /nfs/dbraw/zinc/07/19/11/493071911.db2.gz PSCAYULRCRPQJC-BBWFWOEESA-N 2 2 368.522 0.355 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626970697 493072285 /nfs/dbraw/zinc/07/22/85/493072285.db2.gz UAJLTRRJYGRVOU-AGIUHOORSA-N 2 2 352.401 0.876 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626970697 493072286 /nfs/dbraw/zinc/07/22/86/493072286.db2.gz UAJLTRRJYGRVOU-AGIUHOORSA-N 2 2 352.401 0.876 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000653114321 493072658 /nfs/dbraw/zinc/07/26/58/493072658.db2.gz DSTTYSVQOCBDGU-INIZCTEOSA-N 2 2 374.489 0.358 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653113100 493073036 /nfs/dbraw/zinc/07/30/36/493073036.db2.gz SNKHZABWYYWGMM-QGZVFWFLSA-N 3 2 361.490 0.682 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653124279 493074676 /nfs/dbraw/zinc/07/46/76/493074676.db2.gz WNOGJLCPFUJBHC-SUMWQHHRSA-N 2 2 350.463 0.678 20 0 FCADLP Cn1c2ncn(CC[NH+]3CCC(C)([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000639982933 493074725 /nfs/dbraw/zinc/07/47/25/493074725.db2.gz YFDFRRRCLYSNQH-UHFFFAOYSA-N 2 2 374.489 0.384 20 0 FCADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049243 493080569 /nfs/dbraw/zinc/08/05/69/493080569.db2.gz KKFCFZHKSPDYEE-KRWDZBQOSA-N 2 2 363.458 0.335 20 0 FCADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049243 493080573 /nfs/dbraw/zinc/08/05/73/493080573.db2.gz KKFCFZHKSPDYEE-KRWDZBQOSA-N 2 2 363.458 0.335 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000640051562 493081077 /nfs/dbraw/zinc/08/10/77/493081077.db2.gz QTDCIQKXQMDLGJ-UHFFFAOYSA-N 3 2 360.502 0.725 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000640051562 493081081 /nfs/dbraw/zinc/08/10/81/493081081.db2.gz QTDCIQKXQMDLGJ-UHFFFAOYSA-N 3 2 360.502 0.725 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000640091789 493082732 /nfs/dbraw/zinc/08/27/32/493082732.db2.gz OWKJOXXCSAQFGQ-IKGGRYGDSA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000640091789 493082736 /nfs/dbraw/zinc/08/27/36/493082736.db2.gz OWKJOXXCSAQFGQ-IKGGRYGDSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653349975 493096745 /nfs/dbraw/zinc/09/67/45/493096745.db2.gz GFNPGECFLMREBB-SFHVURJKSA-N 2 2 360.502 0.830 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653349975 493096749 /nfs/dbraw/zinc/09/67/49/493096749.db2.gz GFNPGECFLMREBB-SFHVURJKSA-N 2 2 360.502 0.830 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000627190922 493105497 /nfs/dbraw/zinc/10/54/97/493105497.db2.gz FSRNDKRIAVPNLM-KURKYZTESA-N 2 2 360.458 0.270 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000627190922 493105499 /nfs/dbraw/zinc/10/54/99/493105499.db2.gz FSRNDKRIAVPNLM-KURKYZTESA-N 2 2 360.458 0.270 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000633034202 493107487 /nfs/dbraw/zinc/10/74/87/493107487.db2.gz XJXDVSUMCCIHLG-HDICACEKSA-N 2 2 371.485 0.335 20 0 FCADLP COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1OC ZINC000646833774 493108647 /nfs/dbraw/zinc/10/86/47/493108647.db2.gz WPLDMFHGRHQJKQ-AWEZNQCLSA-N 2 2 351.447 0.746 20 0 FCADLP COc1ccc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1OC ZINC000646833774 493108651 /nfs/dbraw/zinc/10/86/51/493108651.db2.gz WPLDMFHGRHQJKQ-AWEZNQCLSA-N 2 2 351.447 0.746 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000633040445 493108817 /nfs/dbraw/zinc/10/88/17/493108817.db2.gz XMQBCTHSIDJFSU-NVXWUHKLSA-N 2 2 373.501 0.711 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000633038184 493108997 /nfs/dbraw/zinc/10/89/97/493108997.db2.gz ONBZQOWVLQQKLB-GDBMZVCRSA-N 2 2 359.474 0.321 20 0 FCADLP CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653398819 493120174 /nfs/dbraw/zinc/12/01/74/493120174.db2.gz RROUHWONNYREBH-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653398819 493120178 /nfs/dbraw/zinc/12/01/78/493120178.db2.gz RROUHWONNYREBH-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257553 493120583 /nfs/dbraw/zinc/12/05/83/493120583.db2.gz JFXGOJIXJOQYBO-OALUTQOASA-N 2 2 359.470 0.800 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627257553 493120586 /nfs/dbraw/zinc/12/05/86/493120586.db2.gz JFXGOJIXJOQYBO-OALUTQOASA-N 2 2 359.470 0.800 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@@H+]1C1CC1 ZINC000633099814 493125138 /nfs/dbraw/zinc/12/51/38/493125138.db2.gz LVUJCBDKWFPGGR-NVXWUHKLSA-N 2 2 358.490 0.972 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@H+]1C1CC1 ZINC000633099814 493125142 /nfs/dbraw/zinc/12/51/42/493125142.db2.gz LVUJCBDKWFPGGR-NVXWUHKLSA-N 2 2 358.490 0.972 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000640702259 493125662 /nfs/dbraw/zinc/12/56/62/493125662.db2.gz HJKATJAUICELAZ-UHFFFAOYSA-N 2 2 370.400 0.879 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)CCC(=O)N1C ZINC000659025669 493127114 /nfs/dbraw/zinc/12/71/14/493127114.db2.gz USLDDSGNFFTHTJ-NGZCFLSTSA-N 2 2 362.356 0.271 20 0 FCADLP CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000659047400 493128615 /nfs/dbraw/zinc/12/86/15/493128615.db2.gz ZXWFBGUWYRKNCX-OAHLLOKOSA-N 2 2 369.491 0.579 20 0 FCADLP CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000659047400 493128619 /nfs/dbraw/zinc/12/86/19/493128619.db2.gz ZXWFBGUWYRKNCX-OAHLLOKOSA-N 2 2 369.491 0.579 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109213 493131179 /nfs/dbraw/zinc/13/11/79/493131179.db2.gz NEIXHMMBUIRUDF-YJBOKZPZSA-N 2 2 358.490 0.829 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109213 493131184 /nfs/dbraw/zinc/13/11/84/493131184.db2.gz NEIXHMMBUIRUDF-YJBOKZPZSA-N 2 2 358.490 0.829 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000633129499 493134723 /nfs/dbraw/zinc/13/47/23/493134723.db2.gz NLOVWQONPAOUQV-RDJZCZTQSA-N 2 2 362.478 0.065 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000633129499 493134725 /nfs/dbraw/zinc/13/47/25/493134725.db2.gz NLOVWQONPAOUQV-RDJZCZTQSA-N 2 2 362.478 0.065 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000653497751 493155392 /nfs/dbraw/zinc/15/53/92/493155392.db2.gz WADPNMTYRAROCU-SJLPKXTDSA-N 2 2 355.523 0.896 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000653497751 493155394 /nfs/dbraw/zinc/15/53/94/493155394.db2.gz WADPNMTYRAROCU-SJLPKXTDSA-N 2 2 355.523 0.896 20 0 FCADLP CCN(CCOC)c1cccc(Cn2cc(CN3CC[NH2+]CC3)nn2)[nH+]1 ZINC000641169965 493175510 /nfs/dbraw/zinc/17/55/10/493175510.db2.gz SSYIHXCJBXRDMV-UHFFFAOYSA-N 2 2 359.478 0.599 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)C[C@H](O)C(F)(F)F)CC1 ZINC000653790286 493179534 /nfs/dbraw/zinc/17/95/34/493179534.db2.gz MCXDJNCCFZPHKY-ZDUSSCGKSA-N 2 2 355.401 0.459 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)C[C@H](O)C(F)(F)F)CC1 ZINC000653790286 493179541 /nfs/dbraw/zinc/17/95/41/493179541.db2.gz MCXDJNCCFZPHKY-ZDUSSCGKSA-N 2 2 355.401 0.459 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC000659277826 493182352 /nfs/dbraw/zinc/18/23/52/493182352.db2.gz FZBWSAQLYQCFHN-DLBZAZTESA-N 2 2 354.458 0.775 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000659455196 493183355 /nfs/dbraw/zinc/18/33/55/493183355.db2.gz VLVMFRYYLWMQAV-OAHLLOKOSA-N 2 2 353.511 0.618 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1)N1CCCC1 ZINC000659284346 493183719 /nfs/dbraw/zinc/18/37/19/493183719.db2.gz IFOBVIKWKCGRNT-SFHVURJKSA-N 2 2 356.470 0.988 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345068 493195362 /nfs/dbraw/zinc/19/53/62/493195362.db2.gz WOOWQXWEOHPWTP-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345068 493195368 /nfs/dbraw/zinc/19/53/68/493195368.db2.gz WOOWQXWEOHPWTP-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672534604 493196474 /nfs/dbraw/zinc/19/64/74/493196474.db2.gz AWMMJDCYPKZIJD-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672534604 493196479 /nfs/dbraw/zinc/19/64/79/493196479.db2.gz AWMMJDCYPKZIJD-GOSISDBHSA-N 2 2 373.501 0.633 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000659581328 493216172 /nfs/dbraw/zinc/21/61/72/493216172.db2.gz JEKHKHWEAMGMTI-JJRVBVJISA-N 3 2 367.444 0.695 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000659581328 493216176 /nfs/dbraw/zinc/21/61/76/493216176.db2.gz JEKHKHWEAMGMTI-JJRVBVJISA-N 3 2 367.444 0.695 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666691987 493216851 /nfs/dbraw/zinc/21/68/51/493216851.db2.gz HMDGJTNSQJMTGB-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000666691988 493216857 /nfs/dbraw/zinc/21/68/57/493216857.db2.gz HMDGJTNSQJMTGB-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCCCO)C3CC3)C2)CC1 ZINC000672637462 493220491 /nfs/dbraw/zinc/22/04/91/493220491.db2.gz HUFOLIUKIMVAPQ-OAHLLOKOSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCCCO)C3CC3)C2)CC1 ZINC000672637462 493220495 /nfs/dbraw/zinc/22/04/95/493220495.db2.gz HUFOLIUKIMVAPQ-OAHLLOKOSA-N 2 2 366.506 0.035 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614877 493221256 /nfs/dbraw/zinc/22/12/56/493221256.db2.gz RXGBUWLYZPQZJN-PWFYPYPJSA-N 2 2 364.469 0.726 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614877 493221258 /nfs/dbraw/zinc/22/12/58/493221258.db2.gz RXGBUWLYZPQZJN-PWFYPYPJSA-N 2 2 364.469 0.726 20 0 FCADLP CN1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000666734546 493221479 /nfs/dbraw/zinc/22/14/79/493221479.db2.gz XCANUTQNGJEJNR-HNNXBMFYSA-N 2 2 374.489 0.181 20 0 FCADLP CC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638375 493222622 /nfs/dbraw/zinc/22/26/22/493222622.db2.gz FHIKFPGALSYVCD-BEFAXECRSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638375 493222624 /nfs/dbraw/zinc/22/26/24/493222624.db2.gz FHIKFPGALSYVCD-BEFAXECRSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639135 493222779 /nfs/dbraw/zinc/22/27/79/493222779.db2.gz ZSQWXGFQDUFSMN-HOCLYGCPSA-N 2 2 374.489 0.188 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639135 493222784 /nfs/dbraw/zinc/22/27/84/493222784.db2.gz ZSQWXGFQDUFSMN-HOCLYGCPSA-N 2 2 374.489 0.188 20 0 FCADLP CN(Cc1ccc(O)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638931 493222937 /nfs/dbraw/zinc/22/29/37/493222937.db2.gz WDJYTHXLHWHJHH-INIZCTEOSA-N 2 2 374.485 0.635 20 0 FCADLP CN(Cc1ccc(O)cc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638931 493222939 /nfs/dbraw/zinc/22/29/39/493222939.db2.gz WDJYTHXLHWHJHH-INIZCTEOSA-N 2 2 374.485 0.635 20 0 FCADLP Cc1cscc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640926 493223658 /nfs/dbraw/zinc/22/36/58/493223658.db2.gz MGANXFJGTQJEKK-OAHLLOKOSA-N 2 2 364.515 0.957 20 0 FCADLP Cc1cscc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640926 493223661 /nfs/dbraw/zinc/22/36/61/493223661.db2.gz MGANXFJGTQJEKK-OAHLLOKOSA-N 2 2 364.515 0.957 20 0 FCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640412 493224820 /nfs/dbraw/zinc/22/48/20/493224820.db2.gz CSKMCTWIBLUCGS-OAHLLOKOSA-N 2 2 366.506 0.035 20 0 FCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640412 493224822 /nfs/dbraw/zinc/22/48/22/493224822.db2.gz CSKMCTWIBLUCGS-OAHLLOKOSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672641367 493224927 /nfs/dbraw/zinc/22/49/27/493224927.db2.gz QHZHFEZLJDMUPA-KGLIPLIRSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672641367 493224930 /nfs/dbraw/zinc/22/49/30/493224930.db2.gz QHZHFEZLJDMUPA-KGLIPLIRSA-N 2 2 354.520 0.235 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642108 493226404 /nfs/dbraw/zinc/22/64/04/493226404.db2.gz XXUDLPAODXJKNK-GOEBONIOSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642108 493226407 /nfs/dbraw/zinc/22/64/07/493226407.db2.gz XXUDLPAODXJKNK-GOEBONIOSA-N 2 2 368.547 0.625 20 0 FCADLP COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642284 493226531 /nfs/dbraw/zinc/22/65/31/493226531.db2.gz DZSUJFPIMLTVKO-HOCLYGCPSA-N 2 2 354.495 0.058 20 0 FCADLP COC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642284 493226534 /nfs/dbraw/zinc/22/65/34/493226534.db2.gz DZSUJFPIMLTVKO-HOCLYGCPSA-N 2 2 354.495 0.058 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000672642534 493226737 /nfs/dbraw/zinc/22/67/37/493226737.db2.gz CFZNKHNMAUHEGB-UKRRQHHQSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000672642534 493226739 /nfs/dbraw/zinc/22/67/39/493226739.db2.gz CFZNKHNMAUHEGB-UKRRQHHQSA-N 2 2 354.520 0.235 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC(=O)N1C ZINC000659640745 493227016 /nfs/dbraw/zinc/22/70/16/493227016.db2.gz IULXTFMXWIBCHK-QOKNQOGYSA-N 2 2 374.489 0.867 20 0 FCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643389 493227729 /nfs/dbraw/zinc/22/77/29/493227729.db2.gz WXAIYSWHLPYICJ-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643389 493227732 /nfs/dbraw/zinc/22/77/32/493227732.db2.gz WXAIYSWHLPYICJ-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672692351 493233550 /nfs/dbraw/zinc/23/35/50/493233550.db2.gz BAPBXUDXFNHSNG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672692351 493233553 /nfs/dbraw/zinc/23/35/53/493233553.db2.gz BAPBXUDXFNHSNG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666949343 493241671 /nfs/dbraw/zinc/24/16/71/493241671.db2.gz QDOIKDCWRNNXSI-BRWVUGGUSA-N 2 2 366.506 0.338 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666949343 493241673 /nfs/dbraw/zinc/24/16/73/493241673.db2.gz QDOIKDCWRNNXSI-BRWVUGGUSA-N 2 2 366.506 0.338 20 0 FCADLP COCC[NH+](CCOC)C1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641492394 493245915 /nfs/dbraw/zinc/24/59/15/493245915.db2.gz UTRIZDQDJSHXLA-UHFFFAOYSA-N 2 2 374.507 0.272 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659681866 493248790 /nfs/dbraw/zinc/24/87/90/493248790.db2.gz CKOYAUSKDUWHCG-QZWWFDLISA-N 2 2 366.506 0.332 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791712 493250826 /nfs/dbraw/zinc/25/08/26/493250826.db2.gz OPJSEQIVAQWGNZ-RHSMWYFYSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791712 493250828 /nfs/dbraw/zinc/25/08/28/493250828.db2.gz OPJSEQIVAQWGNZ-RHSMWYFYSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ncccc1N1CCOCC1 ZINC000667048780 493254967 /nfs/dbraw/zinc/25/49/67/493254967.db2.gz JLOCXDHZEVGQKT-UHFFFAOYSA-N 2 2 364.494 0.923 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ncccc1N1CCOCC1 ZINC000667048780 493254969 /nfs/dbraw/zinc/25/49/69/493254969.db2.gz JLOCXDHZEVGQKT-UHFFFAOYSA-N 2 2 364.494 0.923 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000681948491 493256179 /nfs/dbraw/zinc/25/61/79/493256179.db2.gz BBACHSJVRUEHPU-INIZCTEOSA-N 2 2 369.554 0.499 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000681948491 493256182 /nfs/dbraw/zinc/25/61/82/493256182.db2.gz BBACHSJVRUEHPU-INIZCTEOSA-N 2 2 369.554 0.499 20 0 FCADLP COc1cc(CS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sn1 ZINC000641625400 493267010 /nfs/dbraw/zinc/26/70/10/493267010.db2.gz WBZFHXOINUBKLL-LBPRGKRZSA-N 2 2 364.537 0.843 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000682099836 493270424 /nfs/dbraw/zinc/27/04/24/493270424.db2.gz RNDGEVYIEDTJMZ-UHFFFAOYSA-N 2 2 358.402 0.044 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000682099836 493270429 /nfs/dbraw/zinc/27/04/29/493270429.db2.gz RNDGEVYIEDTJMZ-UHFFFAOYSA-N 2 2 358.402 0.044 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCC1 ZINC000659732736 493277942 /nfs/dbraw/zinc/27/79/42/493277942.db2.gz RRIJFTPPZCXLGB-UHFFFAOYSA-N 2 2 374.485 0.597 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000659747648 493283674 /nfs/dbraw/zinc/28/36/74/493283674.db2.gz GALFDPUFTWFRAD-BPQIPLTHSA-N 2 2 371.485 0.449 20 0 FCADLP COc1ncccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682269296 493283776 /nfs/dbraw/zinc/28/37/76/493283776.db2.gz JKHCZSAOSNTCHQ-ZDUSSCGKSA-N 2 2 361.446 0.313 20 0 FCADLP COc1ncccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682269296 493283778 /nfs/dbraw/zinc/28/37/78/493283778.db2.gz JKHCZSAOSNTCHQ-ZDUSSCGKSA-N 2 2 361.446 0.313 20 0 FCADLP Cn1nc2c(c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000682269918 493283825 /nfs/dbraw/zinc/28/38/25/493283825.db2.gz DYQBVMYZUBYNGT-ZDUSSCGKSA-N 2 2 374.489 0.132 20 0 FCADLP Cn1nc2c(c1NC(=O)C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000682269918 493283827 /nfs/dbraw/zinc/28/38/27/493283827.db2.gz DYQBVMYZUBYNGT-ZDUSSCGKSA-N 2 2 374.489 0.132 20 0 FCADLP CCc1onc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270465 493284587 /nfs/dbraw/zinc/28/45/87/493284587.db2.gz JOJVUPLKTWYZPB-ZDUSSCGKSA-N 2 2 363.462 0.769 20 0 FCADLP CCc1onc(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270465 493284592 /nfs/dbraw/zinc/28/45/92/493284592.db2.gz JOJVUPLKTWYZPB-ZDUSSCGKSA-N 2 2 363.462 0.769 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000659750019 493285716 /nfs/dbraw/zinc/28/57/16/493285716.db2.gz LTOCQXHGGGQNQD-HNNXBMFYSA-N 2 2 362.474 0.372 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC2)cc1 ZINC000659751908 493286095 /nfs/dbraw/zinc/28/60/95/493286095.db2.gz XBYBTPKRDJJDLC-OAHLLOKOSA-N 2 2 362.474 0.454 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000667712833 493298039 /nfs/dbraw/zinc/29/80/39/493298039.db2.gz QMFJPGINLKUNAT-OKILXGFUSA-N 2 2 365.437 0.868 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000667712833 493298041 /nfs/dbraw/zinc/29/80/41/493298041.db2.gz QMFJPGINLKUNAT-OKILXGFUSA-N 2 2 365.437 0.868 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1C[NH+](C)CCO1 ZINC000673289949 493313475 /nfs/dbraw/zinc/31/34/75/493313475.db2.gz YEALQFIMKMWNFV-JQFCIGGWSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1C[NH+](C)CCO1 ZINC000673289949 493313477 /nfs/dbraw/zinc/31/34/77/493313477.db2.gz YEALQFIMKMWNFV-JQFCIGGWSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000673289949 493313481 /nfs/dbraw/zinc/31/34/81/493313481.db2.gz YEALQFIMKMWNFV-JQFCIGGWSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000673289949 493313484 /nfs/dbraw/zinc/31/34/84/493313484.db2.gz YEALQFIMKMWNFV-JQFCIGGWSA-N 2 2 360.458 0.125 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000673301644 493314831 /nfs/dbraw/zinc/31/48/31/493314831.db2.gz LWUGHUROQJLCGJ-JYJNAYRXSA-N 2 2 359.474 0.718 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000673301644 493314833 /nfs/dbraw/zinc/31/48/33/493314833.db2.gz LWUGHUROQJLCGJ-JYJNAYRXSA-N 2 2 359.474 0.718 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673302994 493315140 /nfs/dbraw/zinc/31/51/40/493315140.db2.gz BWQQMPSHRFYPJS-JKSUJKDBSA-N 2 2 359.474 0.766 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(OCCO)c1 ZINC000668123329 493319327 /nfs/dbraw/zinc/31/93/27/493319327.db2.gz OPMDLUATJVAFSB-UHFFFAOYSA-N 2 2 365.478 0.942 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(OCCO)c1 ZINC000668123329 493319330 /nfs/dbraw/zinc/31/93/30/493319330.db2.gz OPMDLUATJVAFSB-UHFFFAOYSA-N 2 2 365.478 0.942 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868633 493324049 /nfs/dbraw/zinc/32/40/49/493324049.db2.gz MEKFODBRSRUCOR-RDJZCZTQSA-N 2 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868633 493324050 /nfs/dbraw/zinc/32/40/50/493324050.db2.gz MEKFODBRSRUCOR-RDJZCZTQSA-N 2 2 363.506 0.561 20 0 FCADLP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000660652506 493370108 /nfs/dbraw/zinc/37/01/08/493370108.db2.gz JXURZFHJAQDLQJ-IBGZPJMESA-N 2 2 352.523 0.631 20 0 FCADLP C[N@H+]1CC[C@]2(C1)CCCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000660652506 493370110 /nfs/dbraw/zinc/37/01/10/493370110.db2.gz JXURZFHJAQDLQJ-IBGZPJMESA-N 2 2 352.523 0.631 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660701872 493373803 /nfs/dbraw/zinc/37/38/03/493373803.db2.gz CVFVUXCMFLUWEP-QGZVFWFLSA-N 2 2 366.506 0.748 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979979 493379230 /nfs/dbraw/zinc/37/92/30/493379230.db2.gz KVDSSHBOEUOVEI-CRAIPNDOSA-N 3 2 369.579 0.891 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979979 493379232 /nfs/dbraw/zinc/37/92/32/493379232.db2.gz KVDSSHBOEUOVEI-CRAIPNDOSA-N 3 2 369.579 0.891 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683972282 493382772 /nfs/dbraw/zinc/38/27/72/493382772.db2.gz DERDNABPARQTIV-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C ZINC000683987433 493384693 /nfs/dbraw/zinc/38/46/93/493384693.db2.gz QNBSZQDSGKQVFN-UHFFFAOYSA-N 2 2 352.483 0.738 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)n1C ZINC000683987433 493384694 /nfs/dbraw/zinc/38/46/94/493384694.db2.gz QNBSZQDSGKQVFN-UHFFFAOYSA-N 2 2 352.483 0.738 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCn3cnc4c3ncnc4N)C2)CC1 ZINC000668640298 493388607 /nfs/dbraw/zinc/38/86/07/493388607.db2.gz QVTOIRKHARIJLT-ZDUSSCGKSA-N 2 2 372.477 0.083 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCn3cnc4c3ncnc4N)C2)CC1 ZINC000668640298 493388609 /nfs/dbraw/zinc/38/86/09/493388609.db2.gz QVTOIRKHARIJLT-ZDUSSCGKSA-N 2 2 372.477 0.083 20 0 FCADLP CCc1csc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684026632 493388712 /nfs/dbraw/zinc/38/87/12/493388712.db2.gz ZUYWJPLRYDEILI-CYBMUJFWSA-N 2 2 365.503 0.929 20 0 FCADLP CCc1csc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684026632 493388715 /nfs/dbraw/zinc/38/87/15/493388715.db2.gz ZUYWJPLRYDEILI-CYBMUJFWSA-N 2 2 365.503 0.929 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660909919 493392854 /nfs/dbraw/zinc/39/28/54/493392854.db2.gz RNKKNTWNLZOLAJ-KSZLIROESA-N 2 2 366.506 0.746 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000661006515 493401673 /nfs/dbraw/zinc/40/16/73/493401673.db2.gz IGSNOQMQISEFAK-CVEARBPZSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668741533 493404161 /nfs/dbraw/zinc/40/41/61/493404161.db2.gz TXNLKKMDHUFNTR-KRWDZBQOSA-N 2 2 363.506 0.596 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668741533 493404163 /nfs/dbraw/zinc/40/41/63/493404163.db2.gz TXNLKKMDHUFNTR-KRWDZBQOSA-N 2 2 363.506 0.596 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361954 493408620 /nfs/dbraw/zinc/40/86/20/493408620.db2.gz XYEVDSCVUOOMEN-ZWKOTPCHSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361954 493408622 /nfs/dbraw/zinc/40/86/22/493408622.db2.gz XYEVDSCVUOOMEN-ZWKOTPCHSA-N 2 2 351.491 0.953 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661369450 493431092 /nfs/dbraw/zinc/43/10/92/493431092.db2.gz VZYNOBBWLKLZIO-WOSRLPQWSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661369450 493431096 /nfs/dbraw/zinc/43/10/96/493431096.db2.gz VZYNOBBWLKLZIO-WOSRLPQWSA-N 2 2 362.478 0.912 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C(N)=O)nc3)C2)CC1 ZINC000674704684 493440701 /nfs/dbraw/zinc/44/07/01/493440701.db2.gz POTHSNWZILEWBN-AWEZNQCLSA-N 2 2 360.462 0.148 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C(N)=O)nc3)C2)CC1 ZINC000674704684 493440703 /nfs/dbraw/zinc/44/07/03/493440703.db2.gz POTHSNWZILEWBN-AWEZNQCLSA-N 2 2 360.462 0.148 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2)CC1 ZINC000674928103 493460250 /nfs/dbraw/zinc/46/02/50/493460250.db2.gz UXZFUZYEWUYNFC-RYQLBKOJSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)C2)CC1 ZINC000674928103 493460253 /nfs/dbraw/zinc/46/02/53/493460253.db2.gz UXZFUZYEWUYNFC-RYQLBKOJSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669144366 493467611 /nfs/dbraw/zinc/46/76/11/493467611.db2.gz NSFXLYFSGROUFU-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+](C)CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000675143873 493469975 /nfs/dbraw/zinc/46/99/75/493469975.db2.gz GBMKXEZINGJMBB-HNNXBMFYSA-N 2 2 356.492 0.631 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685338300 493478184 /nfs/dbraw/zinc/47/81/84/493478184.db2.gz ZZXGWOCIUIRDBD-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338300 493478186 /nfs/dbraw/zinc/47/81/86/493478186.db2.gz ZZXGWOCIUIRDBD-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661967105 493479087 /nfs/dbraw/zinc/47/90/87/493479087.db2.gz BJGANWNENQTUNI-KBPBESRZSA-N 2 2 355.446 0.354 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661967105 493479091 /nfs/dbraw/zinc/47/90/91/493479091.db2.gz BJGANWNENQTUNI-KBPBESRZSA-N 2 2 355.446 0.354 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339001 493479769 /nfs/dbraw/zinc/47/97/69/493479769.db2.gz BPWCXOJJPOXEIM-SJLPKXTDSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339001 493479771 /nfs/dbraw/zinc/47/97/71/493479771.db2.gz BPWCXOJJPOXEIM-SJLPKXTDSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661986764 493481057 /nfs/dbraw/zinc/48/10/57/493481057.db2.gz JFFBAAIZMKGTGY-BPQIPLTHSA-N 2 2 366.506 0.744 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685358900 493485340 /nfs/dbraw/zinc/48/53/40/493485340.db2.gz GXYFXLXYJCBMFY-CQSZACIVSA-N 2 2 354.414 0.058 20 0 FCADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285682 493502273 /nfs/dbraw/zinc/50/22/73/493502273.db2.gz NGQVTWYMOMPMKJ-UHFFFAOYSA-N 2 2 365.474 0.756 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669405570 493502381 /nfs/dbraw/zinc/50/23/81/493502381.db2.gz VHHUPPISYISJAJ-HLLBOEOZSA-N 2 2 354.520 0.588 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCCc1cnn(-c2ccccc2)c1 ZINC000662285617 493502568 /nfs/dbraw/zinc/50/25/68/493502568.db2.gz HODXKMCCNXBUCD-UHFFFAOYSA-N 2 2 357.458 0.235 20 0 FCADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285711 493502635 /nfs/dbraw/zinc/50/26/35/493502635.db2.gz ORQADYPWCNIXND-OAHLLOKOSA-N 2 2 363.458 0.379 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000669420038 493502958 /nfs/dbraw/zinc/50/29/58/493502958.db2.gz OXHDMXAPRNAMGH-MRXNPFEDSA-N 2 2 362.474 0.901 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000662287026 493502984 /nfs/dbraw/zinc/50/29/84/493502984.db2.gz QCMKGJSDZGJUKB-UHFFFAOYSA-N 2 2 350.438 0.178 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)CO ZINC000662288246 493503022 /nfs/dbraw/zinc/50/30/22/493503022.db2.gz HFPFPZHRJJBIKT-LLVKDONJSA-N 2 2 350.246 0.936 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)CO ZINC000662288246 493503026 /nfs/dbraw/zinc/50/30/26/493503026.db2.gz HFPFPZHRJJBIKT-LLVKDONJSA-N 2 2 350.246 0.936 20 0 FCADLP CCOc1c(OC)cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000669429842 493503514 /nfs/dbraw/zinc/50/35/14/493503514.db2.gz YRXZQJWVSNECCB-CQSZACIVSA-N 2 2 366.462 0.887 20 0 FCADLP CCOc1c(OC)cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000669429842 493503516 /nfs/dbraw/zinc/50/35/16/493503516.db2.gz YRXZQJWVSNECCB-CQSZACIVSA-N 2 2 366.462 0.887 20 0 FCADLP O=C(NCC[NH2+]C1CC1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000669479493 493506509 /nfs/dbraw/zinc/50/65/09/493506509.db2.gz MYULPUFXACQIJX-UHFFFAOYSA-N 2 2 365.522 0.762 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCC(F)(F)F ZINC000662335331 493507652 /nfs/dbraw/zinc/50/76/52/493507652.db2.gz KLRNEQFJGKWVSZ-GFCCVEGCSA-N 2 2 374.411 0.677 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCC(F)(F)F ZINC000662335331 493507655 /nfs/dbraw/zinc/50/76/55/493507655.db2.gz KLRNEQFJGKWVSZ-GFCCVEGCSA-N 2 2 374.411 0.677 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccc(Cl)c1 ZINC000669513945 493508233 /nfs/dbraw/zinc/50/82/33/493508233.db2.gz DTKZPLBMCUHZCE-ZBFHGGJFSA-N 2 2 350.850 0.763 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)nc[nH+]1 ZINC000669506075 493508254 /nfs/dbraw/zinc/50/82/54/493508254.db2.gz QWVALDYBFGKKQH-ZNMIVQPWSA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[nH+]cn1 ZINC000669506075 493508256 /nfs/dbraw/zinc/50/82/56/493508256.db2.gz QWVALDYBFGKKQH-ZNMIVQPWSA-N 2 2 359.478 0.881 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC000662345932 493508268 /nfs/dbraw/zinc/50/82/68/493508268.db2.gz OMKRZHRCNCXMCT-AWEZNQCLSA-N 2 2 371.489 0.990 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC000662345932 493508271 /nfs/dbraw/zinc/50/82/71/493508271.db2.gz OMKRZHRCNCXMCT-AWEZNQCLSA-N 2 2 371.489 0.990 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1C ZINC000662378090 493511297 /nfs/dbraw/zinc/51/12/97/493511297.db2.gz WVXGTVFJLYFEKV-DLBZAZTESA-N 2 2 356.474 0.923 20 0 FCADLP CCn1cc[nH+]c1CN1CCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)CC1 ZINC000662455383 493517473 /nfs/dbraw/zinc/51/74/73/493517473.db2.gz KZETVLUNWPPQAA-OAHLLOKOSA-N 2 2 372.477 0.295 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662497762 493521162 /nfs/dbraw/zinc/52/11/62/493521162.db2.gz XFJSNPPYPZSSNS-HUUCEWRRSA-N 2 2 374.489 0.255 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000662672389 493530982 /nfs/dbraw/zinc/53/09/82/493530982.db2.gz YETKUDVMHPFQKW-IRXDYDNUSA-N 2 2 360.458 0.570 20 0 FCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662698964 493532459 /nfs/dbraw/zinc/53/24/59/493532459.db2.gz NNHLLDVDBUAITH-ZWKOTPCHSA-N 2 2 363.458 0.378 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662694016 493532593 /nfs/dbraw/zinc/53/25/93/493532593.db2.gz WEUSRFYNLSACDG-CVEARBPZSA-N 2 2 368.503 0.698 20 0 FCADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241343 493533633 /nfs/dbraw/zinc/53/36/33/493533633.db2.gz AIXBWGGOKMVZSA-ZBFHGGJFSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241343 493533635 /nfs/dbraw/zinc/53/36/35/493533635.db2.gz AIXBWGGOKMVZSA-ZBFHGGJFSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243675 493534122 /nfs/dbraw/zinc/53/41/22/493534122.db2.gz SBXIZYHZGFLCGM-ZOBUZTSGSA-N 2 2 372.535 0.213 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243675 493534124 /nfs/dbraw/zinc/53/41/24/493534124.db2.gz SBXIZYHZGFLCGM-ZOBUZTSGSA-N 2 2 372.535 0.213 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662713769 493534254 /nfs/dbraw/zinc/53/42/54/493534254.db2.gz YRRCPMNCHLBINN-INIZCTEOSA-N 2 2 370.457 0.785 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000662757368 493539150 /nfs/dbraw/zinc/53/91/50/493539150.db2.gz LMEVCXUDQQQPDA-QGZVFWFLSA-N 2 2 358.486 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@H](C)CO1 ZINC000662858906 493547288 /nfs/dbraw/zinc/54/72/88/493547288.db2.gz JTNPFWLDSCBVLA-KFWWJZLASA-N 2 2 350.467 0.432 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@H](C)CO1 ZINC000662858906 493547290 /nfs/dbraw/zinc/54/72/90/493547290.db2.gz JTNPFWLDSCBVLA-KFWWJZLASA-N 2 2 350.467 0.432 20 0 FCADLP CC(=O)N[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000662853633 493547425 /nfs/dbraw/zinc/54/74/25/493547425.db2.gz RCLNQYWLEJPURC-AEFFLSMTSA-N 2 2 355.442 0.538 20 0 FCADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676387281 493548079 /nfs/dbraw/zinc/54/80/79/493548079.db2.gz FCRAHOCLUHOJRV-ICSRJNTNSA-N 2 2 359.470 0.557 20 0 FCADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676387281 493548080 /nfs/dbraw/zinc/54/80/80/493548080.db2.gz FCRAHOCLUHOJRV-ICSRJNTNSA-N 2 2 359.470 0.557 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662928407 493555114 /nfs/dbraw/zinc/55/51/14/493555114.db2.gz OUNBGABPBZAOGF-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP COC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000676568862 493560255 /nfs/dbraw/zinc/56/02/55/493560255.db2.gz PRUDKICJACOGFZ-OAHLLOKOSA-N 2 2 354.495 0.650 20 0 FCADLP COC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000676568862 493560256 /nfs/dbraw/zinc/56/02/56/493560256.db2.gz PRUDKICJACOGFZ-OAHLLOKOSA-N 2 2 354.495 0.650 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574519 493560698 /nfs/dbraw/zinc/56/06/98/493560698.db2.gz PPTYMCKDLHPUQG-GOEBONIOSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574519 493560700 /nfs/dbraw/zinc/56/07/00/493560700.db2.gz PPTYMCKDLHPUQG-GOEBONIOSA-N 2 2 353.488 0.067 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccccn3)C2)CC1 ZINC000670422065 493564214 /nfs/dbraw/zinc/56/42/14/493564214.db2.gz AJROAANRHGCEIR-MRXNPFEDSA-N 2 2 359.474 0.025 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccccn3)C2)CC1 ZINC000670422065 493564215 /nfs/dbraw/zinc/56/42/15/493564215.db2.gz AJROAANRHGCEIR-MRXNPFEDSA-N 2 2 359.474 0.025 20 0 FCADLP Cc1noc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670428427 493565515 /nfs/dbraw/zinc/56/55/15/493565515.db2.gz WJRPXORPUMQQMK-CQSZACIVSA-N 2 2 363.462 0.192 20 0 FCADLP Cc1noc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670428427 493565516 /nfs/dbraw/zinc/56/55/16/493565516.db2.gz WJRPXORPUMQQMK-CQSZACIVSA-N 2 2 363.462 0.192 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000670479265 493572212 /nfs/dbraw/zinc/57/22/12/493572212.db2.gz KDCQGPRLCISTAX-UHFFFAOYSA-N 2 2 355.442 0.734 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000670535627 493577470 /nfs/dbraw/zinc/57/74/70/493577470.db2.gz CYODXVYJNYTNGI-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670546694 493579546 /nfs/dbraw/zinc/57/95/46/493579546.db2.gz BFNZTEGVQLBJEW-HUUCEWRRSA-N 2 2 359.474 0.544 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000663304831 493583852 /nfs/dbraw/zinc/58/38/52/493583852.db2.gz STQSJADXIUXVLN-GUYCJALGSA-N 2 2 360.458 0.955 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1O ZINC000663438684 493589734 /nfs/dbraw/zinc/58/97/34/493589734.db2.gz VNRHTAGRVKGIHB-BZSNNMDCSA-N 2 2 362.474 0.204 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1O ZINC000663438684 493589737 /nfs/dbraw/zinc/58/97/37/493589737.db2.gz VNRHTAGRVKGIHB-BZSNNMDCSA-N 2 2 362.474 0.204 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000663480154 493591739 /nfs/dbraw/zinc/59/17/39/493591739.db2.gz NGBOMROLASQMDC-IAGOWNOFSA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000663480154 493591740 /nfs/dbraw/zinc/59/17/40/493591740.db2.gz NGBOMROLASQMDC-IAGOWNOFSA-N 2 2 354.495 0.459 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670787489 493596953 /nfs/dbraw/zinc/59/69/53/493596953.db2.gz CAWZWAOPTDCADT-ZBFHGGJFSA-N 2 2 355.442 0.736 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670787489 493596954 /nfs/dbraw/zinc/59/69/54/493596954.db2.gz CAWZWAOPTDCADT-ZBFHGGJFSA-N 2 2 355.442 0.736 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC000663552228 493597050 /nfs/dbraw/zinc/59/70/50/493597050.db2.gz DLWFHCJCROEBIA-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC000663552228 493597052 /nfs/dbraw/zinc/59/70/52/493597052.db2.gz DLWFHCJCROEBIA-GVDBMIGSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000670813719 493599473 /nfs/dbraw/zinc/59/94/73/493599473.db2.gz MIEKCAMIEXQFDQ-DLBZAZTESA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813282 493599590 /nfs/dbraw/zinc/59/95/90/493599590.db2.gz GJEZDKIXVRJINX-IRXDYDNUSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813282 493599592 /nfs/dbraw/zinc/59/95/92/493599592.db2.gz GJEZDKIXVRJINX-IRXDYDNUSA-N 2 2 366.506 0.060 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477074 493603979 /nfs/dbraw/zinc/60/39/79/493603979.db2.gz PCAVHOGOELRSCZ-NEPJUHHUSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477074 493603981 /nfs/dbraw/zinc/60/39/81/493603981.db2.gz PCAVHOGOELRSCZ-NEPJUHHUSA-N 2 2 352.401 0.767 20 0 FCADLP O=C(NCCCc1nc[nH]n1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000663880885 493622838 /nfs/dbraw/zinc/62/28/38/493622838.db2.gz YBHDYIDRKSBVTH-UHFFFAOYSA-N 2 2 372.477 0.644 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663993411 493628762 /nfs/dbraw/zinc/62/87/62/493628762.db2.gz IPYJWLPUQIRDFF-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663993411 493628764 /nfs/dbraw/zinc/62/87/64/493628764.db2.gz IPYJWLPUQIRDFF-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678112554 493635320 /nfs/dbraw/zinc/63/53/20/493635320.db2.gz WWJXRHDETQYZOQ-ZBFHGGJFSA-N 2 2 361.494 0.830 20 0 FCADLP Cn1cnnc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678112554 493635322 /nfs/dbraw/zinc/63/53/22/493635322.db2.gz WWJXRHDETQYZOQ-ZBFHGGJFSA-N 2 2 361.494 0.830 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000671116795 493637847 /nfs/dbraw/zinc/63/78/47/493637847.db2.gz PSKJYCXLXBXJSL-DOTOQJQBSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000671116795 493637848 /nfs/dbraw/zinc/63/78/48/493637848.db2.gz PSKJYCXLXBXJSL-DOTOQJQBSA-N 2 2 371.485 0.719 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129342 493638314 /nfs/dbraw/zinc/63/83/14/493638314.db2.gz FRVYCSMABNGINO-BBWFWOEESA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129342 493638316 /nfs/dbraw/zinc/63/83/16/493638316.db2.gz FRVYCSMABNGINO-BBWFWOEESA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129342 493638318 /nfs/dbraw/zinc/63/83/18/493638318.db2.gz FRVYCSMABNGINO-BBWFWOEESA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129342 493638320 /nfs/dbraw/zinc/63/83/20/493638320.db2.gz FRVYCSMABNGINO-BBWFWOEESA-N 3 2 367.538 0.563 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000664181565 493642475 /nfs/dbraw/zinc/64/24/75/493642475.db2.gz KNTIRTRQWRIYRN-KGLIPLIRSA-N 2 2 353.467 0.500 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000678792779 493661116 /nfs/dbraw/zinc/66/11/16/493661116.db2.gz SWHSTVNULZOQEZ-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000678792200 493661120 /nfs/dbraw/zinc/66/11/20/493661120.db2.gz RANKZRKWYCZGJM-UHFFFAOYSA-N 2 2 358.402 0.044 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000671394544 493664291 /nfs/dbraw/zinc/66/42/91/493664291.db2.gz JXUAGGGIMXNJEG-MRXNPFEDSA-N 2 2 374.485 0.203 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000671397052 493665023 /nfs/dbraw/zinc/66/50/23/493665023.db2.gz PZYNWBKPQHNSNX-RHSMWYFYSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000671397052 493665026 /nfs/dbraw/zinc/66/50/26/493665026.db2.gz PZYNWBKPQHNSNX-RHSMWYFYSA-N 2 2 356.470 0.860 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000671396589 493665459 /nfs/dbraw/zinc/66/54/59/493665459.db2.gz LZNSRBDAGXAJLQ-QAPCUYQASA-N 2 2 356.470 0.671 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000671396589 493665463 /nfs/dbraw/zinc/66/54/63/493665463.db2.gz LZNSRBDAGXAJLQ-QAPCUYQASA-N 2 2 356.470 0.671 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000664539537 493666391 /nfs/dbraw/zinc/66/63/91/493666391.db2.gz NJSIEOFIIMPSHW-INIZCTEOSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@H](CCCCO)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000679333058 493676070 /nfs/dbraw/zinc/67/60/70/493676070.db2.gz DVYHWAZUFUIPFW-MRXNPFEDSA-N 2 2 370.519 0.674 20 0 FCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000679509165 493685136 /nfs/dbraw/zinc/68/51/36/493685136.db2.gz YXUWPNBNIFXUOT-HNNXBMFYSA-N 2 2 352.398 0.679 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000664857143 493687172 /nfs/dbraw/zinc/68/71/72/493687172.db2.gz AOBXDKUISONONL-SOUVJXGZSA-N 2 2 351.451 0.204 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671816140 493707229 /nfs/dbraw/zinc/70/72/29/493707229.db2.gz HRDNMOGTKRGKQJ-CQSZACIVSA-N 2 2 362.499 0.745 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671816140 493707231 /nfs/dbraw/zinc/70/72/31/493707231.db2.gz HRDNMOGTKRGKQJ-CQSZACIVSA-N 2 2 362.499 0.745 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671820098 493707773 /nfs/dbraw/zinc/70/77/73/493707773.db2.gz GNGZUBJZRIXRIR-NVXWUHKLSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671820098 493707774 /nfs/dbraw/zinc/70/77/74/493707774.db2.gz GNGZUBJZRIXRIR-NVXWUHKLSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCO1 ZINC000671950673 493717726 /nfs/dbraw/zinc/71/77/26/493717726.db2.gz VOGXOFIVIHPXLX-OAHLLOKOSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671962283 493718775 /nfs/dbraw/zinc/71/87/75/493718775.db2.gz YHBZVECPLQQUHN-UHFFFAOYSA-N 2 2 355.442 0.652 20 0 FCADLP CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680508153 493720680 /nfs/dbraw/zinc/72/06/80/493720680.db2.gz LRGNGEMCOWSGNJ-DGCLKSJQSA-N 2 2 352.401 0.720 20 0 FCADLP CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680508153 493720682 /nfs/dbraw/zinc/72/06/82/493720682.db2.gz LRGNGEMCOWSGNJ-DGCLKSJQSA-N 2 2 352.401 0.720 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672008847 493724109 /nfs/dbraw/zinc/72/41/09/493724109.db2.gz LWBUTRYMGUTLKM-INIZCTEOSA-N 2 2 368.522 0.402 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099059 493735316 /nfs/dbraw/zinc/73/53/16/493735316.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099059 493735319 /nfs/dbraw/zinc/73/53/19/493735319.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672099059 493735322 /nfs/dbraw/zinc/73/53/22/493735322.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672099059 493735324 /nfs/dbraw/zinc/73/53/24/493735324.db2.gz ZGKUWJPAWXEUTO-JKSUJKDBSA-N 3 2 367.538 0.118 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672255105 493746454 /nfs/dbraw/zinc/74/64/54/493746454.db2.gz WXQAPEZQYIIHKC-INIZCTEOSA-N 2 2 355.442 0.769 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672255105 493746456 /nfs/dbraw/zinc/74/64/56/493746456.db2.gz WXQAPEZQYIIHKC-INIZCTEOSA-N 2 2 355.442 0.769 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000672264149 493747513 /nfs/dbraw/zinc/74/75/13/493747513.db2.gz GYYNDZJESLZALS-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000672264149 493747516 /nfs/dbraw/zinc/74/75/16/493747516.db2.gz GYYNDZJESLZALS-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592833 533997901 /nfs/dbraw/zinc/99/79/01/533997901.db2.gz ZYWBPHJJBCPIEL-GOEBONIOSA-N 2 2 359.474 0.873 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592833 533997907 /nfs/dbraw/zinc/99/79/07/533997907.db2.gz ZYWBPHJJBCPIEL-GOEBONIOSA-N 2 2 359.474 0.873 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000187372155 534035401 /nfs/dbraw/zinc/03/54/01/534035401.db2.gz HMZHTJZABNFAFJ-SYMSYNOKSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000187372155 534035411 /nfs/dbraw/zinc/03/54/11/534035411.db2.gz HMZHTJZABNFAFJ-SYMSYNOKSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000187372155 534035416 /nfs/dbraw/zinc/03/54/16/534035416.db2.gz HMZHTJZABNFAFJ-SYMSYNOKSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@H](C(N)=O)C1 ZINC000187372155 534035420 /nfs/dbraw/zinc/03/54/20/534035420.db2.gz HMZHTJZABNFAFJ-SYMSYNOKSA-N 2 2 354.495 0.175 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000410605926 527802470 /nfs/dbraw/zinc/80/24/70/527802470.db2.gz HFEQZAZDBFPOKZ-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000410605926 527802473 /nfs/dbraw/zinc/80/24/73/527802473.db2.gz HFEQZAZDBFPOKZ-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC[N@@H+]1C ZINC000410728964 527819327 /nfs/dbraw/zinc/81/93/27/527819327.db2.gz GSWXANKQFUTEED-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC[N@H+]1C ZINC000410728964 527819337 /nfs/dbraw/zinc/81/93/37/527819337.db2.gz GSWXANKQFUTEED-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000410728964 527819341 /nfs/dbraw/zinc/81/93/41/527819341.db2.gz GSWXANKQFUTEED-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000410728964 527819345 /nfs/dbraw/zinc/81/93/45/527819345.db2.gz GSWXANKQFUTEED-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410695921 527846325 /nfs/dbraw/zinc/84/63/25/527846325.db2.gz GSYHENKXYUWGGS-DLBZAZTESA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410695921 527846326 /nfs/dbraw/zinc/84/63/26/527846326.db2.gz GSYHENKXYUWGGS-DLBZAZTESA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410938133 527990779 /nfs/dbraw/zinc/99/07/79/527990779.db2.gz NFGPXXAJWFJYDX-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410938133 527990785 /nfs/dbraw/zinc/99/07/85/527990785.db2.gz NFGPXXAJWFJYDX-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000410746705 529031874 /nfs/dbraw/zinc/03/18/74/529031874.db2.gz RZHGLTQZLPELJG-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000410746705 529031875 /nfs/dbraw/zinc/03/18/75/529031875.db2.gz RZHGLTQZLPELJG-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410468072 529115139 /nfs/dbraw/zinc/11/51/39/529115139.db2.gz LQCPCDKXRMJMQR-LSDHHAIUSA-N 2 2 362.478 0.168 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423669965 535186694 /nfs/dbraw/zinc/18/66/94/535186694.db2.gz YLXSUMNHSMJYOO-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000423669965 535186695 /nfs/dbraw/zinc/18/66/95/535186695.db2.gz YLXSUMNHSMJYOO-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000419206601 535190864 /nfs/dbraw/zinc/19/08/64/535190864.db2.gz NBLDXUYEJGCOKN-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000423637162 535211400 /nfs/dbraw/zinc/21/14/00/535211400.db2.gz GVURKCUGWAWSPT-DLBZAZTESA-N 2 2 359.474 0.353 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@H+]1C ZINC000423637162 535211405 /nfs/dbraw/zinc/21/14/05/535211405.db2.gz GVURKCUGWAWSPT-DLBZAZTESA-N 2 2 359.474 0.353 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000423563487 535602823 /nfs/dbraw/zinc/60/28/23/535602823.db2.gz OVUONBQXIXNRKK-ZDUSSCGKSA-N 2 2 350.467 0.058 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC000419204075 535685277 /nfs/dbraw/zinc/68/52/77/535685277.db2.gz IQBKXRSKGHQEER-IBGZPJMESA-N 2 2 359.474 0.756 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423372062 535701992 /nfs/dbraw/zinc/70/19/92/535701992.db2.gz QYGXCJWZGBWCIN-MRXNPFEDSA-N 2 2 373.501 0.967 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415187305 535854491 /nfs/dbraw/zinc/85/44/91/535854491.db2.gz LXPICKNPYYUODI-OAHLLOKOSA-N 2 2 364.446 0.190 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415187305 535854496 /nfs/dbraw/zinc/85/44/96/535854496.db2.gz LXPICKNPYYUODI-OAHLLOKOSA-N 2 2 364.446 0.190 20 0 FCADLP CN(C(=O)CN1CN=NC1=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444234761 536014432 /nfs/dbraw/zinc/01/44/32/536014432.db2.gz FGEYWVCVNUOJSE-HOTGVXAUSA-N 2 2 364.494 0.779 20 0 FCADLP CN(C(=O)CN1CN=NC1=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444234761 536014436 /nfs/dbraw/zinc/01/44/36/536014436.db2.gz FGEYWVCVNUOJSE-HOTGVXAUSA-N 2 2 364.494 0.779 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000435926737 536403105 /nfs/dbraw/zinc/40/31/05/536403105.db2.gz KJBQSKZGEDZIAR-UHFFFAOYSA-N 2 2 369.469 0.754 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000415318744 536416818 /nfs/dbraw/zinc/41/68/18/536416818.db2.gz RJLLMESQUHVAGN-QGZVFWFLSA-N 2 2 359.474 0.241 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000419212185 536450266 /nfs/dbraw/zinc/45/02/66/536450266.db2.gz ZJRSSPOKXQEIHT-OAHLLOKOSA-N 2 2 361.490 0.906 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415082708 536469532 /nfs/dbraw/zinc/46/95/32/536469532.db2.gz OOIPMCZZPOBRDE-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000089224323 546517015 /nfs/dbraw/zinc/51/70/15/546517015.db2.gz ADMMBBRJTHSOHU-INIZCTEOSA-N 2 2 350.467 0.773 20 0 FCADLP CN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830863 546535149 /nfs/dbraw/zinc/53/51/49/546535149.db2.gz PWUYPEHMKPQGNM-GDBMZVCRSA-N 2 2 357.520 0.438 20 0 FCADLP CN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830863 546535152 /nfs/dbraw/zinc/53/51/52/546535152.db2.gz PWUYPEHMKPQGNM-GDBMZVCRSA-N 2 2 357.520 0.438 20 0 FCADLP C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000131658679 546570125 /nfs/dbraw/zinc/57/01/25/546570125.db2.gz OWOAWDFHKNSIRK-HOTGVXAUSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000131658679 546570131 /nfs/dbraw/zinc/57/01/31/546570131.db2.gz OWOAWDFHKNSIRK-HOTGVXAUSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582063038 546588982 /nfs/dbraw/zinc/58/89/82/546588982.db2.gz MITRUSSIENLXFF-JHJVBQTASA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582063038 546588986 /nfs/dbraw/zinc/58/89/86/546588986.db2.gz MITRUSSIENLXFF-JHJVBQTASA-N 2 2 352.460 0.202 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000592343432 546633517 /nfs/dbraw/zinc/63/35/17/546633517.db2.gz NVJNKNUYVUGUCF-UHFFFAOYSA-N 2 2 352.483 0.216 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000592343432 546633522 /nfs/dbraw/zinc/63/35/22/546633522.db2.gz NVJNKNUYVUGUCF-UHFFFAOYSA-N 2 2 352.483 0.216 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000592789820 546666096 /nfs/dbraw/zinc/66/60/96/546666096.db2.gz BDFAQGCKCIWXDL-OWSLCNJRSA-N 2 2 354.539 0.872 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1=O ZINC000593908616 546767124 /nfs/dbraw/zinc/76/71/24/546767124.db2.gz BHFGKDPNCMFKHE-RYUDHWBXSA-N 2 2 368.459 0.035 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000431957459 546844110 /nfs/dbraw/zinc/84/41/10/546844110.db2.gz KKIXIYINYZUIDI-IPUKNANDSA-N 2 2 352.479 0.618 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000431957459 546844115 /nfs/dbraw/zinc/84/41/15/546844115.db2.gz KKIXIYINYZUIDI-IPUKNANDSA-N 2 2 352.479 0.618 20 0 FCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[S@](=O)C2)([NH+]2CCCCC2)CC1 ZINC000475114684 546937482 /nfs/dbraw/zinc/93/74/82/546937482.db2.gz WWZBKXHTCJXRME-OWJWWREXSA-N 2 2 356.536 0.757 20 0 FCADLP NC(=O)c1csc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641788543 546957213 /nfs/dbraw/zinc/95/72/13/546957213.db2.gz PKVIFXQJRHPKMB-OAHLLOKOSA-N 2 2 352.504 0.733 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000549171419 547066356 /nfs/dbraw/zinc/06/63/56/547066356.db2.gz FIXZFOYELYETDC-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000550662728 547095421 /nfs/dbraw/zinc/09/54/21/547095421.db2.gz AIASOLWHXKLXRF-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000550662728 547095424 /nfs/dbraw/zinc/09/54/24/547095424.db2.gz AIASOLWHXKLXRF-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COC[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552178594 547193606 /nfs/dbraw/zinc/19/36/06/547193606.db2.gz FUCWMFNATLXMNJ-AWEZNQCLSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000552958715 547243065 /nfs/dbraw/zinc/24/30/65/547243065.db2.gz ZUOIWCPOCZHUQJ-LVQVYYBASA-N 2 2 351.495 0.776 20 0 FCADLP CCNc1nc(N2CC[NH+](CC(C)(C)O)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553384190 547274206 /nfs/dbraw/zinc/27/42/06/547274206.db2.gz CFLBGRJDPHGLMS-UHFFFAOYSA-N 2 2 351.499 0.829 20 0 FCADLP CC(C)(CNC(=O)N(CCO)CC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000162437331 547390120 /nfs/dbraw/zinc/39/01/20/547390120.db2.gz JLKGTDJROJDDOM-UHFFFAOYSA-N 2 2 356.511 0.587 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736858467 599079745 /nfs/dbraw/zinc/07/97/45/599079745.db2.gz RYCNFZDHBHCNHU-KRWDZBQOSA-N 2 2 371.489 0.957 20 0 FCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736858467 599079747 /nfs/dbraw/zinc/07/97/47/599079747.db2.gz RYCNFZDHBHCNHU-KRWDZBQOSA-N 2 2 371.489 0.957 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854503 599080739 /nfs/dbraw/zinc/08/07/39/599080739.db2.gz DCLBWHUTMRIDMX-INIZCTEOSA-N 2 2 371.489 0.957 20 0 FCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854503 599080742 /nfs/dbraw/zinc/08/07/42/599080742.db2.gz DCLBWHUTMRIDMX-INIZCTEOSA-N 2 2 371.489 0.957 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736761322 598444309 /nfs/dbraw/zinc/44/43/09/598444309.db2.gz DIMARDRLIMVWJZ-UHFFFAOYSA-N 2 2 366.429 0.625 20 0 FCADLP C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736266920 598523268 /nfs/dbraw/zinc/52/32/68/598523268.db2.gz QATXCTXTCSHDFQ-RDBSUJKOSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000736266920 598523270 /nfs/dbraw/zinc/52/32/70/598523270.db2.gz QATXCTXTCSHDFQ-RDBSUJKOSA-N 2 2 359.482 0.815 20 0 FCADLP CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000956593703 674527330 /nfs/dbraw/zinc/52/73/30/674527330.db2.gz AGAMPXPTTZWKKB-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000956593703 674527332 /nfs/dbraw/zinc/52/73/32/674527332.db2.gz AGAMPXPTTZWKKB-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821621751 606288823 /nfs/dbraw/zinc/28/88/23/606288823.db2.gz FCUOWEAMXYDIEU-HNNXBMFYSA-N 2 2 372.477 0.446 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821621751 606288825 /nfs/dbraw/zinc/28/88/25/606288825.db2.gz FCUOWEAMXYDIEU-HNNXBMFYSA-N 2 2 372.477 0.446 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]1 ZINC000826262492 608435418 /nfs/dbraw/zinc/43/54/18/608435418.db2.gz QPHKEMRREJWBQO-CQSZACIVSA-N 2 2 370.461 0.797 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]1 ZINC000826262492 608435419 /nfs/dbraw/zinc/43/54/19/608435419.db2.gz QPHKEMRREJWBQO-CQSZACIVSA-N 2 2 370.461 0.797 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330830 608454010 /nfs/dbraw/zinc/45/40/10/608454010.db2.gz JWPNKFRTIWZHCH-OAHLLOKOSA-N 2 2 354.418 0.920 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330830 608454011 /nfs/dbraw/zinc/45/40/11/608454011.db2.gz JWPNKFRTIWZHCH-OAHLLOKOSA-N 2 2 354.418 0.920 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826038661 608505269 /nfs/dbraw/zinc/50/52/69/608505269.db2.gz TXOIQZICFCQAPA-INIZCTEOSA-N 2 2 355.446 0.608 20 0 FCADLP CN(C(=O)C(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980704 665755850 /nfs/dbraw/zinc/75/58/50/665755850.db2.gz SHABPXLNOTZGNI-UHFFFAOYSA-N 2 2 350.385 0.246 20 0 FCADLP CO[C@@H]1CCOC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898088361 665797511 /nfs/dbraw/zinc/79/75/11/665797511.db2.gz DOOCKKFZQQENOT-GVDBMIGSSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CCOC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898088361 665797513 /nfs/dbraw/zinc/79/75/13/665797513.db2.gz DOOCKKFZQQENOT-GVDBMIGSSA-N 2 2 354.495 0.600 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000969957368 663211862 /nfs/dbraw/zinc/21/18/62/663211862.db2.gz FIBVKTXDNFMHLB-BWACUDIHSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000969957368 663211864 /nfs/dbraw/zinc/21/18/64/663211864.db2.gz FIBVKTXDNFMHLB-BWACUDIHSA-N 2 2 350.463 0.947 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000325797096 663333725 /nfs/dbraw/zinc/33/37/25/663333725.db2.gz HOXRLQLWDWLJEO-YQQAZPJKSA-N 2 2 354.472 0.576 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000325797096 663333728 /nfs/dbraw/zinc/33/37/28/663333728.db2.gz HOXRLQLWDWLJEO-YQQAZPJKSA-N 2 2 354.472 0.576 20 0 FCADLP COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782230 663428577 /nfs/dbraw/zinc/42/85/77/663428577.db2.gz QEJNFVHVMUJRGE-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782230 663428578 /nfs/dbraw/zinc/42/85/78/663428578.db2.gz QEJNFVHVMUJRGE-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782230 663428579 /nfs/dbraw/zinc/42/85/79/663428579.db2.gz QEJNFVHVMUJRGE-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC000971782230 663428580 /nfs/dbraw/zinc/42/85/80/663428580.db2.gz QEJNFVHVMUJRGE-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276300 663428706 /nfs/dbraw/zinc/42/87/06/663428706.db2.gz FYQSZFBEOBGURR-YIYPIFLZSA-N 2 2 351.451 0.478 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276300 663428708 /nfs/dbraw/zinc/42/87/08/663428708.db2.gz FYQSZFBEOBGURR-YIYPIFLZSA-N 2 2 351.451 0.478 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000891751618 663433645 /nfs/dbraw/zinc/43/36/45/663433645.db2.gz BDCXPSTXRXMEKV-QGZVFWFLSA-N 2 2 355.527 0.014 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039116 663868158 /nfs/dbraw/zinc/86/81/58/663868158.db2.gz OYRUEFWOWOPNAL-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039116 663868161 /nfs/dbraw/zinc/86/81/61/663868161.db2.gz OYRUEFWOWOPNAL-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCS(C)(=O)=O)CC[N@@H+]1C ZINC001024448113 663944006 /nfs/dbraw/zinc/94/40/06/663944006.db2.gz CPZIAFIPOBLMRY-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCS(C)(=O)=O)CC[N@H+]1C ZINC001024448113 663944010 /nfs/dbraw/zinc/94/40/10/663944010.db2.gz CPZIAFIPOBLMRY-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC001024448113 663944011 /nfs/dbraw/zinc/94/40/11/663944011.db2.gz CPZIAFIPOBLMRY-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC001024448113 663944013 /nfs/dbraw/zinc/94/40/13/663944013.db2.gz CPZIAFIPOBLMRY-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000892513937 663994565 /nfs/dbraw/zinc/99/45/65/663994565.db2.gz PUDIAQXFXHXGMG-CQSZACIVSA-N 2 2 351.476 0.504 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncs2)O1 ZINC001025002234 664035798 /nfs/dbraw/zinc/03/57/98/664035798.db2.gz ZFYQCBWKNPFOCP-MGPQQGTHSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncs2)O1 ZINC001025002234 664035800 /nfs/dbraw/zinc/03/58/00/664035800.db2.gz ZFYQCBWKNPFOCP-MGPQQGTHSA-N 2 2 353.492 0.728 20 0 FCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929858 664155695 /nfs/dbraw/zinc/15/56/95/664155695.db2.gz MBFPLUXARARZBS-HOTGVXAUSA-N 2 2 372.535 0.374 20 0 FCADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929858 664155696 /nfs/dbraw/zinc/15/56/96/664155696.db2.gz MBFPLUXARARZBS-HOTGVXAUSA-N 2 2 372.535 0.374 20 0 FCADLP COC(=O)c1ncn(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000183519300 664220960 /nfs/dbraw/zinc/22/09/60/664220960.db2.gz SUDMLBPEOSDOSO-UHFFFAOYSA-N 2 2 351.451 0.847 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000726258898 664915724 /nfs/dbraw/zinc/91/57/24/664915724.db2.gz YEJDCVNKQGTSOB-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000726258898 664915726 /nfs/dbraw/zinc/91/57/26/664915726.db2.gz YEJDCVNKQGTSOB-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709602 664944118 /nfs/dbraw/zinc/94/41/18/664944118.db2.gz MKZKEXYJKYOOGN-ZACQAIPSSA-N 2 2 357.470 0.664 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709602 664944121 /nfs/dbraw/zinc/94/41/21/664944121.db2.gz MKZKEXYJKYOOGN-ZACQAIPSSA-N 2 2 357.470 0.664 20 0 FCADLP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCOC1 ZINC000905051487 666002305 /nfs/dbraw/zinc/00/23/05/666002305.db2.gz CTSUGWADMJAGHU-MOPGFXCFSA-N 2 2 350.459 0.511 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905123076 666006101 /nfs/dbraw/zinc/00/61/01/666006101.db2.gz XABVQINLHSCCJB-ROUUACIJSA-N 2 2 355.523 0.429 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000907453080 666133114 /nfs/dbraw/zinc/13/31/14/666133114.db2.gz UBPOUBKDWSNBMC-GOSISDBHSA-N 2 2 353.555 0.545 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000907599986 666146439 /nfs/dbraw/zinc/14/64/39/666146439.db2.gz OTBIRQYZLWMZJL-UHFFFAOYSA-N 2 2 354.539 0.708 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000907599986 666146440 /nfs/dbraw/zinc/14/64/40/666146440.db2.gz OTBIRQYZLWMZJL-UHFFFAOYSA-N 2 2 354.539 0.708 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121276 666186815 /nfs/dbraw/zinc/18/68/15/666186815.db2.gz YTNGMTSLZOUVRE-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121276 666186817 /nfs/dbraw/zinc/18/68/17/666186817.db2.gz YTNGMTSLZOUVRE-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000908535809 666211032 /nfs/dbraw/zinc/21/10/32/666211032.db2.gz YMEOIRDEJKNIGC-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000908535810 666211040 /nfs/dbraw/zinc/21/10/40/666211040.db2.gz YMEOIRDEJKNIGC-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911561024 666366143 /nfs/dbraw/zinc/36/61/43/666366143.db2.gz FYZYNBFWYHIDNE-INIZCTEOSA-N 2 2 354.495 0.204 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000912687672 666467890 /nfs/dbraw/zinc/46/78/90/666467890.db2.gz FHAWVWOIKYZGLI-IAGOWNOFSA-N 2 2 350.507 0.239 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000912687672 666467891 /nfs/dbraw/zinc/46/78/91/666467891.db2.gz FHAWVWOIKYZGLI-IAGOWNOFSA-N 2 2 350.507 0.239 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069110950 666496286 /nfs/dbraw/zinc/49/62/86/666496286.db2.gz LUCOMLUEWXJCHQ-AWEZNQCLSA-N 2 2 362.540 0.525 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069110950 666496289 /nfs/dbraw/zinc/49/62/89/666496289.db2.gz LUCOMLUEWXJCHQ-AWEZNQCLSA-N 2 2 362.540 0.525 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000913117169 666501084 /nfs/dbraw/zinc/50/10/84/666501084.db2.gz YWXBXIJDHCSZSZ-ZWKOTPCHSA-N 2 2 352.523 0.462 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCC1 ZINC000069383313 666507575 /nfs/dbraw/zinc/50/75/75/666507575.db2.gz LPIMWICKOHOGEW-UHFFFAOYSA-N 2 2 374.551 0.669 20 0 FCADLP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069380285 666507619 /nfs/dbraw/zinc/50/76/19/666507619.db2.gz WBQBDXOIZMFFGZ-UHFFFAOYSA-N 2 2 362.540 0.527 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759420 666838203 /nfs/dbraw/zinc/83/82/03/666838203.db2.gz NRDKYIXNBWKEIZ-AWEZNQCLSA-N 2 2 362.540 0.525 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287386 666905421 /nfs/dbraw/zinc/90/54/21/666905421.db2.gz ZOCKHBWULAXGIC-GOEBONIOSA-N 2 2 352.479 0.750 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC34OCCO4)C2)CC1 ZINC000888287386 666905423 /nfs/dbraw/zinc/90/54/23/666905423.db2.gz ZOCKHBWULAXGIC-GOEBONIOSA-N 2 2 352.479 0.750 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996714682 666964827 /nfs/dbraw/zinc/96/48/27/666964827.db2.gz CYKJPOYYXWRIAB-LALPHHSUSA-N 2 2 351.451 0.739 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996714682 666964830 /nfs/dbraw/zinc/96/48/30/666964830.db2.gz CYKJPOYYXWRIAB-LALPHHSUSA-N 2 2 351.451 0.739 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1CCC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001038541345 667469778 /nfs/dbraw/zinc/46/97/78/667469778.db2.gz SMLZJABXKPJYLH-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1CCC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001038541345 667469786 /nfs/dbraw/zinc/46/97/86/667469786.db2.gz SMLZJABXKPJYLH-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP CS/C=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000751576530 667476898 /nfs/dbraw/zinc/47/68/98/667476898.db2.gz CDKSVUWDCZRREZ-AWNIVKPZSA-N 2 2 354.520 0.560 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+](CCO)CCO)cc2)CC1 ZINC000754258101 667589746 /nfs/dbraw/zinc/58/97/46/667589746.db2.gz MROKWYWYAKARJC-UHFFFAOYSA-N 2 2 350.463 0.054 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000922348056 667642329 /nfs/dbraw/zinc/64/23/29/667642329.db2.gz RZHCEJHZMIMNBO-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000922348056 667642334 /nfs/dbraw/zinc/64/23/34/667642334.db2.gz RZHCEJHZMIMNBO-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)S(=O)(=O)c1cnn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755780060 667648223 /nfs/dbraw/zinc/64/82/23/667648223.db2.gz LLQHSUORYADSSF-OAHLLOKOSA-N 2 2 355.508 0.755 20 0 FCADLP CN(C)S(=O)(=O)c1cnn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755780060 667648227 /nfs/dbraw/zinc/64/82/27/667648227.db2.gz LLQHSUORYADSSF-OAHLLOKOSA-N 2 2 355.508 0.755 20 0 FCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000923311788 667824536 /nfs/dbraw/zinc/82/45/36/667824536.db2.gz WTLRGPZLVWPQMJ-XRGAULLZSA-N 2 2 357.451 0.419 20 0 FCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000923311788 667824541 /nfs/dbraw/zinc/82/45/41/667824541.db2.gz WTLRGPZLVWPQMJ-XRGAULLZSA-N 2 2 357.451 0.419 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923333280 667826024 /nfs/dbraw/zinc/82/60/24/667826024.db2.gz QAMCBARCMAHLNK-LSDHHAIUSA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923333280 667826032 /nfs/dbraw/zinc/82/60/32/667826032.db2.gz QAMCBARCMAHLNK-LSDHHAIUSA-N 2 2 367.877 0.976 20 0 FCADLP [NH3+]CC(C[NH3+])NCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000923358726 667827192 /nfs/dbraw/zinc/82/71/92/667827192.db2.gz GCVLHKBHNPLMBC-MRXNPFEDSA-N 3 2 353.898 0.469 20 0 FCADLP CCCN1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1COC ZINC000761306302 667886256 /nfs/dbraw/zinc/88/62/56/667886256.db2.gz VGKXMEAJIAQDPI-HOTGVXAUSA-N 2 2 352.479 0.844 20 0 FCADLP CCCN1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1COC ZINC000761306302 667886259 /nfs/dbraw/zinc/88/62/59/667886259.db2.gz VGKXMEAJIAQDPI-HOTGVXAUSA-N 2 2 352.479 0.844 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000838915243 667961820 /nfs/dbraw/zinc/96/18/20/667961820.db2.gz JWOACGRQFWBLKV-UHFFFAOYSA-N 2 2 352.479 0.750 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCS[C@H]3COCC[C@H]31)C2=O ZINC000767781653 668060413 /nfs/dbraw/zinc/06/04/13/668060413.db2.gz JCYUCJVMQQQFFE-OLZOCXBDSA-N 2 2 354.476 0.166 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCS[C@H]3COCC[C@H]31)C2=O ZINC000767781653 668060415 /nfs/dbraw/zinc/06/04/15/668060415.db2.gz JCYUCJVMQQQFFE-OLZOCXBDSA-N 2 2 354.476 0.166 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](OCC3CC3)C1)C2=O ZINC000777554562 668329845 /nfs/dbraw/zinc/32/98/45/668329845.db2.gz IVTDMLRDFYELDW-OAHLLOKOSA-N 2 2 350.463 0.851 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](OCC3CC3)C1)C2=O ZINC000777554562 668329850 /nfs/dbraw/zinc/32/98/50/668329850.db2.gz IVTDMLRDFYELDW-OAHLLOKOSA-N 2 2 350.463 0.851 20 0 FCADLP CN1C(=O)C(=O)N(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000779877001 668443297 /nfs/dbraw/zinc/44/32/97/668443297.db2.gz DXNAPUDTQMHPOL-UHFFFAOYSA-N 2 2 352.435 0.189 20 0 FCADLP Cn1nc(Br)cc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000785450771 668713708 /nfs/dbraw/zinc/71/37/08/668713708.db2.gz DZSSGAXOYDCKRW-NSHDSACASA-N 2 2 358.284 0.860 20 0 FCADLP Cn1nc(Br)cc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000785450771 668713714 /nfs/dbraw/zinc/71/37/14/668713714.db2.gz DZSSGAXOYDCKRW-NSHDSACASA-N 2 2 358.284 0.860 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCSC(C)(C)C)C2)CC1 ZINC000788346682 668824436 /nfs/dbraw/zinc/82/44/36/668824436.db2.gz AVBJXIBTRYRSIR-CQSZACIVSA-N 2 2 370.563 0.919 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCSC(C)(C)C)C2)CC1 ZINC000788346682 668824438 /nfs/dbraw/zinc/82/44/38/668824438.db2.gz AVBJXIBTRYRSIR-CQSZACIVSA-N 2 2 370.563 0.919 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390313 668876057 /nfs/dbraw/zinc/87/60/57/668876057.db2.gz SJQDWDCEVUCFNN-MAUKXSAKSA-N 2 2 352.479 0.513 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(Cl)n3)C2)CC1 ZINC000793052872 668911741 /nfs/dbraw/zinc/91/17/41/668911741.db2.gz ZCPVWHMZOSPQMZ-GFCCVEGCSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(Cl)n3)C2)CC1 ZINC000793052872 668911742 /nfs/dbraw/zinc/91/17/42/668911742.db2.gz ZCPVWHMZOSPQMZ-GFCCVEGCSA-N 2 2 365.865 0.958 20 0 FCADLP CCS(=O)(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819039960 668973293 /nfs/dbraw/zinc/97/32/93/668973293.db2.gz IAEHBJQEQRPTJK-KRWDZBQOSA-N 2 2 367.515 0.908 20 0 FCADLP CCS(=O)(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819039960 668973297 /nfs/dbraw/zinc/97/32/97/668973297.db2.gz IAEHBJQEQRPTJK-KRWDZBQOSA-N 2 2 367.515 0.908 20 0 FCADLP COC(=O)N(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000822785075 669294476 /nfs/dbraw/zinc/29/44/76/669294476.db2.gz UTUGCYQARSCAAP-OAHLLOKOSA-N 2 2 355.483 0.495 20 0 FCADLP COC(=O)N(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000822785075 669294480 /nfs/dbraw/zinc/29/44/80/669294480.db2.gz UTUGCYQARSCAAP-OAHLLOKOSA-N 2 2 355.483 0.495 20 0 FCADLP COC(=O)[C@@H]1CN(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C(=O)O1 ZINC000840005657 669346395 /nfs/dbraw/zinc/34/63/95/669346395.db2.gz ZAXVKWVPTWZKPB-HNNXBMFYSA-N 2 2 355.435 0.372 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000826648932 669506514 /nfs/dbraw/zinc/50/65/14/669506514.db2.gz PVZLYQNUIWVCPJ-OKILXGFUSA-N 2 2 352.483 0.737 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000826648932 669506518 /nfs/dbraw/zinc/50/65/18/669506518.db2.gz PVZLYQNUIWVCPJ-OKILXGFUSA-N 2 2 352.483 0.737 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000809936139 669651233 /nfs/dbraw/zinc/65/12/33/669651233.db2.gz XCIQIQMSELVSIS-UHFFFAOYSA-N 2 2 358.483 0.234 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000829116074 669684334 /nfs/dbraw/zinc/68/43/34/669684334.db2.gz OEQDSFHZXMAZAQ-INIZCTEOSA-N 2 2 353.488 0.182 20 0 FCADLP C[C@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC[NH2+]CC1 ZINC000829116668 669684974 /nfs/dbraw/zinc/68/49/74/669684974.db2.gz UKQZUEXGKRCRPL-CQSZACIVSA-N 2 2 359.536 0.637 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CC1 ZINC000831563446 669852945 /nfs/dbraw/zinc/85/29/45/669852945.db2.gz OIGVHAHOXKGWLK-OLZOCXBDSA-N 2 2 362.396 0.103 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CC1 ZINC000831563446 669852954 /nfs/dbraw/zinc/85/29/54/669852954.db2.gz OIGVHAHOXKGWLK-OLZOCXBDSA-N 2 2 362.396 0.103 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000815143404 669900810 /nfs/dbraw/zinc/90/08/10/669900810.db2.gz KHBAXRJNPYQUJK-GOSISDBHSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000815143404 669900813 /nfs/dbraw/zinc/90/08/13/669900813.db2.gz KHBAXRJNPYQUJK-GOSISDBHSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000815143404 669900814 /nfs/dbraw/zinc/90/08/14/669900814.db2.gz KHBAXRJNPYQUJK-GOSISDBHSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000815143404 669900817 /nfs/dbraw/zinc/90/08/17/669900817.db2.gz KHBAXRJNPYQUJK-GOSISDBHSA-N 2 2 352.479 0.705 20 0 FCADLP [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000843261595 670789958 /nfs/dbraw/zinc/78/99/58/670789958.db2.gz LELCDDPQMHVVDB-JKSUJKDBSA-N 2 2 354.495 0.381 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000843355772 670805332 /nfs/dbraw/zinc/80/53/32/670805332.db2.gz JBSNGRZDAXMUDA-PDOTXMHQSA-N 2 2 353.467 0.481 20 0 FCADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+](C)CCC[NH3+])CC2)c(F)c1 ZINC000844220581 670910813 /nfs/dbraw/zinc/91/08/13/670910813.db2.gz YGZQHDLBHUYSTQ-UHFFFAOYSA-N 2 2 350.438 0.958 20 0 FCADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC2)c(F)c1 ZINC000844220581 670910816 /nfs/dbraw/zinc/91/08/16/670910816.db2.gz YGZQHDLBHUYSTQ-UHFFFAOYSA-N 2 2 350.438 0.958 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000845042992 670960644 /nfs/dbraw/zinc/96/06/44/670960644.db2.gz HNBTUVLFQIVJHT-KRWDZBQOSA-N 2 2 356.511 0.851 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000846143749 671085315 /nfs/dbraw/zinc/08/53/15/671085315.db2.gz HASOKRKOAPCIAT-UHFFFAOYSA-N 2 2 360.524 0.266 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004087 671166366 /nfs/dbraw/zinc/16/63/66/671166366.db2.gz NAJYZEDYHWWZBU-YOEHRIQHSA-N 2 2 350.463 0.806 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004087 671166367 /nfs/dbraw/zinc/16/63/67/671166367.db2.gz NAJYZEDYHWWZBU-YOEHRIQHSA-N 2 2 350.463 0.806 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](OC3CCC3)C1)C2=O ZINC000848497959 671280862 /nfs/dbraw/zinc/28/08/62/671280862.db2.gz SFYWQIPAHPSTSS-HNNXBMFYSA-N 2 2 350.463 0.994 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](OC3CCC3)C1)C2=O ZINC000848497959 671280867 /nfs/dbraw/zinc/28/08/67/671280867.db2.gz SFYWQIPAHPSTSS-HNNXBMFYSA-N 2 2 350.463 0.994 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000109393923 671387232 /nfs/dbraw/zinc/38/72/32/671387232.db2.gz NORDELWZEMCJCV-OAHLLOKOSA-N 2 2 374.551 0.669 20 0 FCADLP CC1(C)[NH2+]CC[C@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000925487100 671428869 /nfs/dbraw/zinc/42/88/69/671428869.db2.gz VQXPSBGPPLBURB-OAHLLOKOSA-N 2 2 367.519 0.264 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1)[NH+]1CCOCC1 ZINC000110844528 671525619 /nfs/dbraw/zinc/52/56/19/671525619.db2.gz CVZPIYVUFIYKOP-HNNXBMFYSA-N 2 2 355.479 0.298 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1)[NH+]1CCOCC1 ZINC000110844528 671525620 /nfs/dbraw/zinc/52/56/20/671525620.db2.gz CVZPIYVUFIYKOP-HNNXBMFYSA-N 2 2 355.479 0.298 20 0 FCADLP [NH3+][C@H](CC(F)F)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000903909959 675981711 /nfs/dbraw/zinc/98/17/11/675981711.db2.gz YOWDSMUYKRPYKU-CYBMUJFWSA-N 2 2 356.421 0.418 20 0 FCADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000863753512 672150108 /nfs/dbraw/zinc/15/01/08/672150108.db2.gz WMMAPLRHEZQGSI-CQSZACIVSA-N 2 2 350.438 0.666 20 0 FCADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000863753512 672150112 /nfs/dbraw/zinc/15/01/12/672150112.db2.gz WMMAPLRHEZQGSI-CQSZACIVSA-N 2 2 350.438 0.666 20 0 FCADLP CNS(=O)(=O)c1ccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000903938013 675984068 /nfs/dbraw/zinc/98/40/68/675984068.db2.gz XLQVNQAYUZPJFH-KRWDZBQOSA-N 2 2 352.504 0.716 20 0 FCADLP Cc1conc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681753 675986740 /nfs/dbraw/zinc/98/67/40/675986740.db2.gz ZYCBLGSPCWNYGQ-IJEWVQPXSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1conc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681753 675986743 /nfs/dbraw/zinc/98/67/43/675986743.db2.gz ZYCBLGSPCWNYGQ-IJEWVQPXSA-N 2 2 352.435 0.019 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865434858 672242517 /nfs/dbraw/zinc/24/25/17/672242517.db2.gz TZQBDPLHRXGIGL-GFCCVEGCSA-N 2 2 364.437 0.899 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000868355770 672395441 /nfs/dbraw/zinc/39/54/41/672395441.db2.gz NXWUXTYETQHGIO-GOSISDBHSA-N 2 2 369.579 0.845 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000868423801 672400210 /nfs/dbraw/zinc/40/02/10/672400210.db2.gz RZDJNALGCINGOW-RDJZCZTQSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000868423801 672400211 /nfs/dbraw/zinc/40/02/11/672400211.db2.gz RZDJNALGCINGOW-RDJZCZTQSA-N 2 2 353.511 0.127 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000020630916 672801578 /nfs/dbraw/zinc/80/15/78/672801578.db2.gz GYYKIUIQQFDFHH-CYBMUJFWSA-N 2 2 352.435 0.235 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000020630916 672801579 /nfs/dbraw/zinc/80/15/79/672801579.db2.gz GYYKIUIQQFDFHH-CYBMUJFWSA-N 2 2 352.435 0.235 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[N@@H+]1C1CC1 ZINC000125618927 672919125 /nfs/dbraw/zinc/91/91/25/672919125.db2.gz BFUQAPLHJMJVTB-DZGCQCFKSA-N 2 2 372.535 0.420 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000125618927 672919128 /nfs/dbraw/zinc/91/91/28/672919128.db2.gz BFUQAPLHJMJVTB-DZGCQCFKSA-N 2 2 372.535 0.420 20 0 FCADLP Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001532406 676075348 /nfs/dbraw/zinc/07/53/48/676075348.db2.gz MKVXAXQWNHCEED-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001532406 676075355 /nfs/dbraw/zinc/07/53/55/676075355.db2.gz MKVXAXQWNHCEED-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000877746700 673026658 /nfs/dbraw/zinc/02/66/58/673026658.db2.gz GUTVOSKFVMFZIX-UHFFFAOYSA-N 2 2 352.504 0.546 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292831 673053178 /nfs/dbraw/zinc/05/31/78/673053178.db2.gz RJQLZQLGLSQRKN-IAGOWNOFSA-N 2 2 351.491 0.986 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292831 673053183 /nfs/dbraw/zinc/05/31/83/673053183.db2.gz RJQLZQLGLSQRKN-IAGOWNOFSA-N 2 2 351.491 0.986 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC001051623624 676106889 /nfs/dbraw/zinc/10/68/89/676106889.db2.gz HULVRMZGBDWRBR-SOUVJXGZSA-N 2 2 353.492 0.585 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC001051623624 676106891 /nfs/dbraw/zinc/10/68/91/676106891.db2.gz HULVRMZGBDWRBR-SOUVJXGZSA-N 2 2 353.492 0.585 20 0 FCADLP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051678191 676108307 /nfs/dbraw/zinc/10/83/07/676108307.db2.gz ARUNZMUZNYUYEY-VHDGCEQUSA-N 2 2 368.503 0.488 20 0 FCADLP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051678191 676108310 /nfs/dbraw/zinc/10/83/10/676108310.db2.gz ARUNZMUZNYUYEY-VHDGCEQUSA-N 2 2 368.503 0.488 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880496945 673196285 /nfs/dbraw/zinc/19/62/85/673196285.db2.gz APXOOVHROKMZTK-DLBZAZTESA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC001052487955 676124369 /nfs/dbraw/zinc/12/43/69/676124369.db2.gz FPERSOUEWBCTEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC001052487955 676124370 /nfs/dbraw/zinc/12/43/70/676124370.db2.gz FPERSOUEWBCTEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)CC2)O1 ZINC001052487955 676124372 /nfs/dbraw/zinc/12/43/72/676124372.db2.gz FPERSOUEWBCTEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)CC2)O1 ZINC001052487955 676124374 /nfs/dbraw/zinc/12/43/74/676124374.db2.gz FPERSOUEWBCTEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP Cn1nc2c(c1C[NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CSCC2 ZINC000883003641 673363168 /nfs/dbraw/zinc/36/31/68/673363168.db2.gz YSTVEQQUETYTBV-OAHLLOKOSA-N 2 2 365.547 0.706 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC000883370472 673372040 /nfs/dbraw/zinc/37/20/40/673372040.db2.gz MEFJPCNSRRQVGS-FUHWJXTLSA-N 2 2 373.563 0.586 20 0 FCADLP CO[C@@H]1COCC[C@@H]1N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000883417138 673374535 /nfs/dbraw/zinc/37/45/35/673374535.db2.gz OMRHVLVOYSRSGN-BHYGNILZSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1COCC[C@@H]1N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000883417138 673374539 /nfs/dbraw/zinc/37/45/39/673374539.db2.gz OMRHVLVOYSRSGN-BHYGNILZSA-N 2 2 354.495 0.600 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424946 673374838 /nfs/dbraw/zinc/37/48/38/673374838.db2.gz HXVDCKHUFPGADW-IAGOWNOFSA-N 2 2 351.491 0.858 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424946 673374839 /nfs/dbraw/zinc/37/48/39/673374839.db2.gz HXVDCKHUFPGADW-IAGOWNOFSA-N 2 2 351.491 0.858 20 0 FCADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1 ZINC000884278935 673443220 /nfs/dbraw/zinc/44/32/20/673443220.db2.gz XFMBHRCHRCELIK-HOTGVXAUSA-N 2 2 353.488 0.484 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C2)cc1 ZINC000884722243 673476956 /nfs/dbraw/zinc/47/69/56/673476956.db2.gz NWGIKQDZVNOYGO-CQSZACIVSA-N 2 2 354.401 0.396 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C2)cc1 ZINC000884722243 673476961 /nfs/dbraw/zinc/47/69/61/673476961.db2.gz NWGIKQDZVNOYGO-CQSZACIVSA-N 2 2 354.401 0.396 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000885285338 673512343 /nfs/dbraw/zinc/51/23/43/673512343.db2.gz JPXGTKLIBSEHNT-VXGBXAGGSA-N 2 2 355.389 0.477 20 0 FCADLP CO[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887303496 673626958 /nfs/dbraw/zinc/62/69/58/673626958.db2.gz VSIQPRLKWJKZEY-BXUZGUMPSA-N 2 2 351.369 0.719 20 0 FCADLP CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887303496 673626959 /nfs/dbraw/zinc/62/69/59/673626959.db2.gz VSIQPRLKWJKZEY-BXUZGUMPSA-N 2 2 351.369 0.719 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)n1 ZINC000924783032 673764509 /nfs/dbraw/zinc/76/45/09/673764509.db2.gz CNYIKQALBFXHQT-KFWWJZLASA-N 2 2 367.519 0.992 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)n1 ZINC000924783032 673764512 /nfs/dbraw/zinc/76/45/12/673764512.db2.gz CNYIKQALBFXHQT-KFWWJZLASA-N 2 2 367.519 0.992 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000925589733 673794579 /nfs/dbraw/zinc/79/45/79/673794579.db2.gz JNQREQASBYZWPY-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925585375 673794606 /nfs/dbraw/zinc/79/46/06/673794606.db2.gz PABYCYBWJJYPTD-IXDOHACOSA-N 2 2 354.495 0.338 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000930008601 673992063 /nfs/dbraw/zinc/99/20/63/673992063.db2.gz FSKPODYXDZVKPP-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000930008601 673992064 /nfs/dbraw/zinc/99/20/64/673992064.db2.gz FSKPODYXDZVKPP-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000930008601 673992065 /nfs/dbraw/zinc/99/20/65/673992065.db2.gz FSKPODYXDZVKPP-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000930008601 673992068 /nfs/dbraw/zinc/99/20/68/673992068.db2.gz FSKPODYXDZVKPP-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000969071988 675268562 /nfs/dbraw/zinc/26/85/62/675268562.db2.gz QKEMHDSJVWLURI-XNRPHZJLSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000969071988 675268565 /nfs/dbraw/zinc/26/85/65/675268565.db2.gz QKEMHDSJVWLURI-XNRPHZJLSA-N 2 2 350.463 0.955 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001014927061 675393544 /nfs/dbraw/zinc/39/35/44/675393544.db2.gz YAWNPCPCQOKEMN-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001014927061 675393546 /nfs/dbraw/zinc/39/35/46/675393546.db2.gz YAWNPCPCQOKEMN-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001014927061 675393547 /nfs/dbraw/zinc/39/35/47/675393547.db2.gz YAWNPCPCQOKEMN-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001014927061 675393549 /nfs/dbraw/zinc/39/35/49/675393549.db2.gz YAWNPCPCQOKEMN-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001019031225 675420112 /nfs/dbraw/zinc/42/01/12/675420112.db2.gz HGFNMGUPKDNMLL-FRRDWIJNSA-N 2 2 357.405 0.688 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nccn3C(F)F)C2)O1 ZINC001019031225 675420116 /nfs/dbraw/zinc/42/01/16/675420116.db2.gz HGFNMGUPKDNMLL-FRRDWIJNSA-N 2 2 357.405 0.688 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001019032407 675420489 /nfs/dbraw/zinc/42/04/89/675420489.db2.gz VQMNWSZHAXYBAU-FRRDWIJNSA-N 2 2 353.492 0.510 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001019032407 675420490 /nfs/dbraw/zinc/42/04/90/675420490.db2.gz VQMNWSZHAXYBAU-FRRDWIJNSA-N 2 2 353.492 0.510 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001020288106 675439773 /nfs/dbraw/zinc/43/97/73/675439773.db2.gz ZJEBMBDHDVAOKC-FDYHWXHSSA-N 2 2 355.870 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001020288106 675439776 /nfs/dbraw/zinc/43/97/76/675439776.db2.gz ZJEBMBDHDVAOKC-FDYHWXHSSA-N 2 2 355.870 0.529 20 0 FCADLP C[NH+](C)CCn1nccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000900334131 675674486 /nfs/dbraw/zinc/67/44/86/675674486.db2.gz GRNOAOYRMUYGLS-KRWDZBQOSA-N 2 2 367.519 0.382 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000900474417 675685675 /nfs/dbraw/zinc/68/56/75/675685675.db2.gz QNZJWQCYLKFDLK-CQSZACIVSA-N 2 2 351.451 0.658 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000900474417 675685676 /nfs/dbraw/zinc/68/56/76/675685676.db2.gz QNZJWQCYLKFDLK-CQSZACIVSA-N 2 2 351.451 0.658 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000900602269 675698811 /nfs/dbraw/zinc/69/88/11/675698811.db2.gz PLYVXVIHMHFWCL-ROUUACIJSA-N 2 2 352.523 0.460 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000900695007 675708367 /nfs/dbraw/zinc/70/83/67/675708367.db2.gz HIKQMXMEPPWBQB-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000900695007 675708368 /nfs/dbraw/zinc/70/83/68/675708368.db2.gz HIKQMXMEPPWBQB-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901200754 675769510 /nfs/dbraw/zinc/76/95/10/675769510.db2.gz JCMXWTRILOUGDR-YVSFHVDLSA-N 2 2 350.507 0.903 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901200754 675769512 /nfs/dbraw/zinc/76/95/12/675769512.db2.gz JCMXWTRILOUGDR-YVSFHVDLSA-N 2 2 350.507 0.903 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnoc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001047385971 675796179 /nfs/dbraw/zinc/79/61/79/675796179.db2.gz GOWMLKPTYLHWBC-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnoc3C)C[C@@H]2O)CC[N@H+]1C ZINC001047385971 675796182 /nfs/dbraw/zinc/79/61/82/675796182.db2.gz GOWMLKPTYLHWBC-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)CC[NH+]1C ZINC001047385971 675796184 /nfs/dbraw/zinc/79/61/84/675796184.db2.gz GOWMLKPTYLHWBC-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)CC[NH+]1C ZINC001047385971 675796187 /nfs/dbraw/zinc/79/61/87/675796187.db2.gz GOWMLKPTYLHWBC-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428272 1167923971 /nfs/dbraw/zinc/92/39/71/1167923971.db2.gz RSLYPKFPDNXMDU-UKPHBRMFSA-N 2 2 361.490 0.669 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428272 1167923978 /nfs/dbraw/zinc/92/39/78/1167923978.db2.gz RSLYPKFPDNXMDU-UKPHBRMFSA-N 2 2 361.490 0.669 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC000969702956 1168065158 /nfs/dbraw/zinc/06/51/58/1168065158.db2.gz CJBIIQPSQJMDOJ-JJRVBVJISA-N 2 2 366.506 0.058 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC000969702956 1168065164 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370.497 0.933 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972153045 1171805079 /nfs/dbraw/zinc/80/50/79/1171805079.db2.gz UDHHHZXBRFWACQ-DJIMGWMZSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972153045 1171805083 /nfs/dbraw/zinc/80/50/83/1171805083.db2.gz UDHHHZXBRFWACQ-DJIMGWMZSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001022717694 1171808431 /nfs/dbraw/zinc/80/84/31/1171808431.db2.gz ILKIHGWCPQPRQT-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001022717694 1171808433 /nfs/dbraw/zinc/80/84/33/1171808433.db2.gz ILKIHGWCPQPRQT-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP COc1nccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001022734480 1171834381 /nfs/dbraw/zinc/83/43/81/1171834381.db2.gz ZGSFALJFCYNMIJ-LXTVHRRPSA-N 2 2 356.430 0.759 20 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C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000988842806 1192529628 /nfs/dbraw/zinc/52/96/28/1192529628.db2.gz YUVLTVYTBGYGIR-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000989061167 1192667163 /nfs/dbraw/zinc/66/71/63/1192667163.db2.gz KZVTYXNKNNRRAP-INMHGKMJSA-N 2 2 371.485 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000989061880 1192667216 /nfs/dbraw/zinc/66/72/16/1192667216.db2.gz RUDOHZKLPKYOMA-OAGGEKHMSA-N 2 2 371.485 0.647 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001272166144 1192682146 /nfs/dbraw/zinc/68/21/46/1192682146.db2.gz BBQYUWBKXIRUPB-YESZJQIVSA-N 2 2 357.458 0.638 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000989230662 1192759330 /nfs/dbraw/zinc/75/93/30/1192759330.db2.gz BHYQNSWHTQAFRN-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP 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C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104452702 1178888507 /nfs/dbraw/zinc/88/85/07/1178888507.db2.gz QSIAJXWECHNSQJ-DJIMGWMZSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104468153 1179066788 /nfs/dbraw/zinc/06/67/88/1179066788.db2.gz MSWQKNYNOXCXHN-HZPDHXFCSA-N 2 2 361.490 0.968 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083262222 1179895405 /nfs/dbraw/zinc/89/54/05/1179895405.db2.gz JRGOBFYLKSIZTB-OKZBNKHCSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083262222 1179895406 /nfs/dbraw/zinc/89/54/06/1179895406.db2.gz JRGOBFYLKSIZTB-OKZBNKHCSA-N 2 2 362.474 0.833 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972614534 1179982704 /nfs/dbraw/zinc/98/27/04/1179982704.db2.gz JSVUEPPDXJKZRV-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972614534 1179982714 /nfs/dbraw/zinc/98/27/14/1179982714.db2.gz JSVUEPPDXJKZRV-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001024135261 1180863463 /nfs/dbraw/zinc/86/34/63/1180863463.db2.gz NEEGLSMGQRQSJG-IAGOWNOFSA-N 2 2 371.441 0.016 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001024163793 1180931612 /nfs/dbraw/zinc/93/16/12/1180931612.db2.gz NFNSFRNOGAFPBJ-BFHYXJOUSA-N 2 2 358.450 0.076 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001024448700 1181188615 /nfs/dbraw/zinc/18/86/15/1181188615.db2.gz VXJPNALNDHSFSX-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001024448700 1181188621 /nfs/dbraw/zinc/18/86/21/1181188621.db2.gz VXJPNALNDHSFSX-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001024448700 1181188625 /nfs/dbraw/zinc/18/86/25/1181188625.db2.gz VXJPNALNDHSFSX-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001024448700 1181188631 /nfs/dbraw/zinc/18/86/31/1181188631.db2.gz VXJPNALNDHSFSX-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493824 1181243578 /nfs/dbraw/zinc/24/35/78/1181243578.db2.gz WIMPFRPPAQDSRQ-JCURWCKSSA-N 2 2 371.441 0.206 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493824 1181243585 /nfs/dbraw/zinc/24/35/85/1181243585.db2.gz WIMPFRPPAQDSRQ-JCURWCKSSA-N 2 2 371.441 0.206 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024505375 1181259674 /nfs/dbraw/zinc/25/96/74/1181259674.db2.gz BCQOYOFPDXLIHN-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024505375 1181259681 /nfs/dbraw/zinc/25/96/81/1181259681.db2.gz BCQOYOFPDXLIHN-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001024506850 1181261958 /nfs/dbraw/zinc/26/19/58/1181261958.db2.gz PLORQVVUWNWIDY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001024506850 1181261962 /nfs/dbraw/zinc/26/19/62/1181261962.db2.gz PLORQVVUWNWIDY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001024506850 1181261968 /nfs/dbraw/zinc/26/19/68/1181261968.db2.gz PLORQVVUWNWIDY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001024506850 1181261972 /nfs/dbraw/zinc/26/19/72/1181261972.db2.gz PLORQVVUWNWIDY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)CC1 ZINC000548933645 1181361791 /nfs/dbraw/zinc/36/17/91/1181361791.db2.gz INTPHKKUVZLIDP-SIXLDLHFSA-N 2 2 367.490 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2[C@@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)CC1 ZINC000548933645 1181361799 /nfs/dbraw/zinc/36/17/99/1181361799.db2.gz INTPHKKUVZLIDP-SIXLDLHFSA-N 2 2 367.490 0.770 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001211639769 1181852589 /nfs/dbraw/zinc/85/25/89/1181852589.db2.gz HHPSXNUAVAZCTB-DLBZAZTESA-N 2 2 369.469 0.683 20 0 FCADLP CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1)[NH+]1CCCC1 ZINC000972995102 1181868176 /nfs/dbraw/zinc/86/81/76/1181868176.db2.gz QLOUOCHQSXVSNK-HZPDHXFCSA-N 2 2 359.474 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC000972999702 1181877334 /nfs/dbraw/zinc/87/73/34/1181877334.db2.gz IEVCLGFAVNVHGD-LMMKCTJWSA-N 2 2 371.485 0.817 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892610149 1181927314 /nfs/dbraw/zinc/92/73/14/1181927314.db2.gz AILYVXFYAZKMDT-ROUUACIJSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc1 ZINC000892610149 1181927318 /nfs/dbraw/zinc/92/73/18/1181927318.db2.gz AILYVXFYAZKMDT-ROUUACIJSA-N 2 2 362.474 0.565 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001025091013 1181956221 /nfs/dbraw/zinc/95/62/21/1181956221.db2.gz XLSYDYMAVMYTSQ-FVQBIDKESA-N 2 2 357.462 0.823 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)CC[N@@H+]1C ZINC000973330372 1182239264 /nfs/dbraw/zinc/23/92/64/1182239264.db2.gz IAFBIETVCNADSE-OXGONZEZSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)CC[N@H+]1C ZINC000973330372 1182239270 /nfs/dbraw/zinc/23/92/70/1182239270.db2.gz IAFBIETVCNADSE-OXGONZEZSA-N 2 2 359.474 0.549 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280972 1182355271 /nfs/dbraw/zinc/35/52/71/1182355271.db2.gz OPEFCGFFWFSUPE-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280972 1182355273 /nfs/dbraw/zinc/35/52/73/1182355273.db2.gz OPEFCGFFWFSUPE-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280972 1182355275 /nfs/dbraw/zinc/35/52/75/1182355275.db2.gz OPEFCGFFWFSUPE-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001083280972 1182355282 /nfs/dbraw/zinc/35/52/82/1182355282.db2.gz OPEFCGFFWFSUPE-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000973549956 1182384126 /nfs/dbraw/zinc/38/41/26/1182384126.db2.gz CXZWIBPOUFFICP-RFBLXINOSA-N 2 2 359.474 0.771 20 0 FCADLP CCn1cc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000892885638 1182560333 /nfs/dbraw/zinc/56/03/33/1182560333.db2.gz HTBSPUVMKROOHK-HNNXBMFYSA-N 2 2 372.477 0.683 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025789550 1182839062 /nfs/dbraw/zinc/83/90/62/1182839062.db2.gz KUVMFEZVRFLHKT-DBDULZNHSA-N 2 2 369.469 0.089 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025789550 1182839063 /nfs/dbraw/zinc/83/90/63/1182839063.db2.gz KUVMFEZVRFLHKT-DBDULZNHSA-N 2 2 369.469 0.089 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CC(=O)N(C)CC1CC1 ZINC001104836187 1182942767 /nfs/dbraw/zinc/94/27/67/1182942767.db2.gz ZIFYBBNSTDSTMG-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104967280 1183026615 /nfs/dbraw/zinc/02/66/15/1183026615.db2.gz PXTYFAJQONZRMT-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001105013164 1183066707 /nfs/dbraw/zinc/06/67/07/1183066707.db2.gz CWAGWMRLHKQZDX-UMVBOHGHSA-N 2 2 360.466 0.550 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC000974273233 1183086766 /nfs/dbraw/zinc/08/67/66/1183086766.db2.gz WOWQTXVFSDFPGI-JJAZEVLHSA-N 2 2 371.441 0.430 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC000974273233 1183086775 /nfs/dbraw/zinc/08/67/75/1183086775.db2.gz WOWQTXVFSDFPGI-JJAZEVLHSA-N 2 2 371.441 0.430 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000974410628 1183198640 /nfs/dbraw/zinc/19/86/40/1183198640.db2.gz CXZWIBPOUFFICP-AALSBFMBSA-N 2 2 359.474 0.771 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000974410628 1183198649 /nfs/dbraw/zinc/19/86/49/1183198649.db2.gz CXZWIBPOUFFICP-AALSBFMBSA-N 2 2 359.474 0.771 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000974447077 1183214239 /nfs/dbraw/zinc/21/42/39/1183214239.db2.gz ZEHMTTYBQVDQMY-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000974447077 1183214242 /nfs/dbraw/zinc/21/42/42/1183214242.db2.gz ZEHMTTYBQVDQMY-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC000974577657 1183348263 /nfs/dbraw/zinc/34/82/63/1183348263.db2.gz URUPDCKYFAWIFH-BFYDXBDKSA-N 2 2 359.474 0.506 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC000974577657 1183348270 /nfs/dbraw/zinc/34/82/70/1183348270.db2.gz URUPDCKYFAWIFH-BFYDXBDKSA-N 2 2 359.474 0.506 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974588868 1183356216 /nfs/dbraw/zinc/35/62/16/1183356216.db2.gz AVJLRSSHXYSQOI-INMHGKMJSA-N 2 2 366.506 0.045 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974588868 1183356221 /nfs/dbraw/zinc/35/62/21/1183356221.db2.gz AVJLRSSHXYSQOI-INMHGKMJSA-N 2 2 366.506 0.045 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974584348 1183363521 /nfs/dbraw/zinc/36/35/21/1183363521.db2.gz NVLYDSSXMOYMOT-HUUCEWRRSA-N 2 2 357.458 0.497 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974587301 1183366590 /nfs/dbraw/zinc/36/65/90/1183366590.db2.gz YYZBIOGBZDOGOH-BFYDXBDKSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974587301 1183366595 /nfs/dbraw/zinc/36/65/95/1183366595.db2.gz YYZBIOGBZDOGOH-BFYDXBDKSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000974690195 1183448527 /nfs/dbraw/zinc/44/85/27/1183448527.db2.gz UDHPNWDOOFEOFB-ZMSDIMECSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC000974690195 1183448531 /nfs/dbraw/zinc/44/85/31/1183448531.db2.gz UDHPNWDOOFEOFB-ZMSDIMECSA-N 2 2 359.474 0.662 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)CC[N@@H+]1C ZINC000974767111 1183521587 /nfs/dbraw/zinc/52/15/87/1183521587.db2.gz BXDBHFAMMSOZQS-QBPKDAKJSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)CC[N@H+]1C ZINC000974767111 1183521590 /nfs/dbraw/zinc/52/15/90/1183521590.db2.gz BXDBHFAMMSOZQS-QBPKDAKJSA-N 2 2 373.501 0.752 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000974775905 1183539837 /nfs/dbraw/zinc/53/98/37/1183539837.db2.gz GNUHMEKJJSMNEC-HYVNUMGLSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]21 ZINC000974775905 1183539839 /nfs/dbraw/zinc/53/98/39/1183539839.db2.gz GNUHMEKJJSMNEC-HYVNUMGLSA-N 2 2 359.474 0.506 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC001027075461 1183718664 /nfs/dbraw/zinc/71/86/64/1183718664.db2.gz SQJDWRSFMOKDKU-RBSFLKMASA-N 2 2 371.489 0.853 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C12CC[NH+](CC1)C2 ZINC000975402395 1183857549 /nfs/dbraw/zinc/85/75/49/1183857549.db2.gz ACSAHIPTAADDSV-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C12CC[NH+](CC1)C2 ZINC000975402395 1183857553 /nfs/dbraw/zinc/85/75/53/1183857553.db2.gz ACSAHIPTAADDSV-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975682645 1184036336 /nfs/dbraw/zinc/03/63/36/1184036336.db2.gz AJEURIJMBKNCAK-XHSDSOJGSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975682645 1184036342 /nfs/dbraw/zinc/03/63/42/1184036342.db2.gz AJEURIJMBKNCAK-XHSDSOJGSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000975715486 1185628637 /nfs/dbraw/zinc/62/86/37/1185628637.db2.gz ADPWXGXLLKMATD-HOTGVXAUSA-N 2 2 359.474 0.888 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1)C1CC1 ZINC000975760209 1185729461 /nfs/dbraw/zinc/72/94/61/1185729461.db2.gz YOPBYODMBFTMIJ-YEWWUXTCSA-N 2 2 359.474 0.742 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)CC1 ZINC000975784479 1185779551 /nfs/dbraw/zinc/77/95/51/1185779551.db2.gz YHDSMFAQODQIDI-YOEHRIQHSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000975816004 1185808553 /nfs/dbraw/zinc/80/85/53/1185808553.db2.gz JATQNWHPQYASDS-RDJZCZTQSA-N 2 2 370.457 0.617 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)C1 ZINC000976109676 1185887143 /nfs/dbraw/zinc/88/71/43/1185887143.db2.gz KLHMWUZZPAVPBK-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)C1 ZINC000976109676 1185887144 /nfs/dbraw/zinc/88/71/44/1185887144.db2.gz KLHMWUZZPAVPBK-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000979974241 1186153551 /nfs/dbraw/zinc/15/35/51/1186153551.db2.gz MPEVGNZMYMIOKW-LMHBHQSJSA-N 2 2 371.485 0.866 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000979974241 1186153557 /nfs/dbraw/zinc/15/35/57/1186153557.db2.gz MPEVGNZMYMIOKW-LMHBHQSJSA-N 2 2 371.485 0.866 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696927 1186284961 /nfs/dbraw/zinc/28/49/61/1186284961.db2.gz QHLOXAUPXVUTCB-VNQPRFMTSA-N 2 2 355.442 0.671 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@@H+]1C ZINC000981197735 1186346122 /nfs/dbraw/zinc/34/61/22/1186346122.db2.gz MHAMVEWIQMEZQO-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)N3CCOCC3)CC2)CC[N@H+]1C ZINC000981197735 1186346127 /nfs/dbraw/zinc/34/61/27/1186346127.db2.gz MHAMVEWIQMEZQO-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC000981197735 1186346132 /nfs/dbraw/zinc/34/61/32/1186346132.db2.gz MHAMVEWIQMEZQO-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCOCC3)CC2)CC[NH+]1C ZINC000981197735 1186346135 /nfs/dbraw/zinc/34/61/35/1186346135.db2.gz MHAMVEWIQMEZQO-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000981412436 1186415615 /nfs/dbraw/zinc/41/56/15/1186415615.db2.gz OYJKJNRVVVXZNI-NUEKZKHPSA-N 2 2 359.474 0.695 20 0 FCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981666894 1186478856 /nfs/dbraw/zinc/47/88/56/1186478856.db2.gz FZVKWOCVPMYKRG-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981666894 1186478862 /nfs/dbraw/zinc/47/88/62/1186478862.db2.gz FZVKWOCVPMYKRG-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC001028146108 1186553874 /nfs/dbraw/zinc/55/38/74/1186553874.db2.gz VLRXUFMUPFCGSB-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001028146108 1186553876 /nfs/dbraw/zinc/55/38/76/1186553876.db2.gz VLRXUFMUPFCGSB-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021527 1186629297 /nfs/dbraw/zinc/62/92/97/1186629297.db2.gz GANDELRBVVBYAA-RBSFLKMASA-N 2 2 359.474 0.583 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021527 1186629301 /nfs/dbraw/zinc/62/93/01/1186629301.db2.gz GANDELRBVVBYAA-RBSFLKMASA-N 2 2 359.474 0.583 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707315 1186677545 /nfs/dbraw/zinc/67/75/45/1186677545.db2.gz LMFFNWJMBASEOF-ZWKOTPCHSA-N 2 2 369.469 0.635 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4cnn(C)n4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982282562 1186697040 /nfs/dbraw/zinc/69/70/40/1186697040.db2.gz CGGWCCYLSDZLLI-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4cnn(C)n4)C[C@]3(C)C2)CC[N@H+]1C ZINC000982282562 1186697043 /nfs/dbraw/zinc/69/70/43/1186697043.db2.gz CGGWCCYLSDZLLI-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](Cc4cnn(C)n4)C[C@]3(C)C2)CC[NH+]1C ZINC000982282562 1186697047 /nfs/dbraw/zinc/69/70/47/1186697047.db2.gz CGGWCCYLSDZLLI-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](Cc4cnn(C)n4)C[C@]3(C)C2)CC[NH+]1C ZINC000982282562 1186697048 /nfs/dbraw/zinc/69/70/48/1186697048.db2.gz CGGWCCYLSDZLLI-OPNNQBFTSA-N 2 2 360.506 0.826 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643953 1187568700 /nfs/dbraw/zinc/56/87/00/1187568700.db2.gz QQXWBOOYRDUWDL-LESCRADOSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643953 1187568702 /nfs/dbraw/zinc/56/87/02/1187568702.db2.gz QQXWBOOYRDUWDL-LESCRADOSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643953 1187568707 /nfs/dbraw/zinc/56/87/07/1187568707.db2.gz QQXWBOOYRDUWDL-LESCRADOSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643953 1187568710 /nfs/dbraw/zinc/56/87/10/1187568710.db2.gz QQXWBOOYRDUWDL-LESCRADOSA-N 2 2 362.474 0.909 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083368595 1187690260 /nfs/dbraw/zinc/69/02/60/1187690260.db2.gz RCALZJKWKYEGPL-KURKYZTESA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083368595 1187690263 /nfs/dbraw/zinc/69/02/63/1187690263.db2.gz RCALZJKWKYEGPL-KURKYZTESA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083368595 1187690266 /nfs/dbraw/zinc/69/02/66/1187690266.db2.gz RCALZJKWKYEGPL-KURKYZTESA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083368595 1187690270 /nfs/dbraw/zinc/69/02/70/1187690270.db2.gz RCALZJKWKYEGPL-KURKYZTESA-N 2 2 360.458 0.401 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385710 1187714235 /nfs/dbraw/zinc/71/42/35/1187714235.db2.gz WSBPUADBCZERII-SQNIBIBYSA-N 2 2 369.506 0.218 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385710 1187714239 /nfs/dbraw/zinc/71/42/39/1187714239.db2.gz WSBPUADBCZERII-SQNIBIBYSA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385710 1187714243 /nfs/dbraw/zinc/71/42/43/1187714243.db2.gz WSBPUADBCZERII-SQNIBIBYSA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385710 1187714249 /nfs/dbraw/zinc/71/42/49/1187714249.db2.gz WSBPUADBCZERII-SQNIBIBYSA-N 2 2 369.506 0.218 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)NCC(C)C ZINC001691504756 1187784993 /nfs/dbraw/zinc/78/49/93/1187784993.db2.gz FXRWVZQZQTXONY-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)NCC(C)C ZINC001691504756 1187784998 /nfs/dbraw/zinc/78/49/98/1187784998.db2.gz FXRWVZQZQTXONY-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001075742415 1188056664 /nfs/dbraw/zinc/05/66/64/1188056664.db2.gz YQYSYXCKQCHFSN-UONOGXRCSA-N 2 2 359.430 0.024 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001075742415 1188056667 /nfs/dbraw/zinc/05/66/67/1188056667.db2.gz YQYSYXCKQCHFSN-UONOGXRCSA-N 2 2 359.430 0.024 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)n1cc[nH+]c1 ZINC001270291613 1188083683 /nfs/dbraw/zinc/08/36/83/1188083683.db2.gz AZVLJFMNCDNXIJ-RDTXWAMCSA-N 2 2 361.446 0.373 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@H]2CCC[N@H+](C)C2)C1=O ZINC001270333785 1188098384 /nfs/dbraw/zinc/09/83/84/1188098384.db2.gz WBLHSSWCWOTMNQ-HNAYVOBHSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001270333785 1188098390 /nfs/dbraw/zinc/09/83/90/1188098390.db2.gz WBLHSSWCWOTMNQ-HNAYVOBHSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001270488263 1188170679 /nfs/dbraw/zinc/17/06/79/1188170679.db2.gz BAIJLFYURIAGTQ-GDBMZVCRSA-N 2 2 359.474 0.617 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001270488263 1188170682 /nfs/dbraw/zinc/17/06/82/1188170682.db2.gz BAIJLFYURIAGTQ-GDBMZVCRSA-N 2 2 359.474 0.617 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000983690069 1188263681 /nfs/dbraw/zinc/26/36/81/1188263681.db2.gz KWEQBOBQHSRJCK-WRQOLXDDSA-N 2 2 371.485 0.527 20 0 FCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000983892675 1188380773 /nfs/dbraw/zinc/38/07/73/1188380773.db2.gz WIVQNFHYPMJRGR-WBVHZDCISA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087625318 1189674557 /nfs/dbraw/zinc/67/45/57/1189674557.db2.gz BTUMCPYFFKHFGS-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087625318 1189674568 /nfs/dbraw/zinc/67/45/68/1189674568.db2.gz BTUMCPYFFKHFGS-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087625318 1189674579 /nfs/dbraw/zinc/67/45/79/1189674579.db2.gz BTUMCPYFFKHFGS-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087625318 1189674589 /nfs/dbraw/zinc/67/45/89/1189674589.db2.gz BTUMCPYFFKHFGS-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087628842 1189679049 /nfs/dbraw/zinc/67/90/49/1189679049.db2.gz OBRWWTIGFVKHNN-HYVNUMGLSA-N 2 2 359.474 0.647 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087628842 1189679053 /nfs/dbraw/zinc/67/90/53/1189679053.db2.gz OBRWWTIGFVKHNN-HYVNUMGLSA-N 2 2 359.474 0.647 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087628841 1189679475 /nfs/dbraw/zinc/67/94/75/1189679475.db2.gz OBRWWTIGFVKHNN-BHYGNILZSA-N 2 2 359.474 0.647 20 0 FCADLP 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C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001088493350 1191008302 /nfs/dbraw/zinc/00/83/02/1191008302.db2.gz IIZJYMQSBQNPHY-ILXRZTDVSA-N 2 2 363.510 0.644 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001088493350 1191008305 /nfs/dbraw/zinc/00/83/05/1191008305.db2.gz IIZJYMQSBQNPHY-ILXRZTDVSA-N 2 2 363.510 0.644 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001088493350 1191008307 /nfs/dbraw/zinc/00/83/07/1191008307.db2.gz IIZJYMQSBQNPHY-ILXRZTDVSA-N 2 2 363.510 0.644 20 0 FCADLP Cc1nnc(C[NH+](C)CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029972689 1191054373 /nfs/dbraw/zinc/05/43/73/1191054373.db2.gz MAVNBGXQHRXVKK-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nnc(C[NH+](C)CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029972689 1191054377 /nfs/dbraw/zinc/05/43/77/1191054377.db2.gz MAVNBGXQHRXVKK-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nnc(C[N@@H+](C)CC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001029972689 1191054380 /nfs/dbraw/zinc/05/43/80/1191054380.db2.gz MAVNBGXQHRXVKK-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nnc(C[N@H+](C)CC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC001029972689 1191054383 /nfs/dbraw/zinc/05/43/83/1191054383.db2.gz MAVNBGXQHRXVKK-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029973070 1191054696 /nfs/dbraw/zinc/05/46/96/1191054696.db2.gz SBRBWDPOZHAMBG-CXAGYDPISA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029973070 1191054703 /nfs/dbraw/zinc/05/47/03/1191054703.db2.gz SBRBWDPOZHAMBG-CXAGYDPISA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001029973070 1191054707 /nfs/dbraw/zinc/05/47/07/1191054707.db2.gz SBRBWDPOZHAMBG-CXAGYDPISA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001029973070 1191054711 /nfs/dbraw/zinc/05/47/11/1191054711.db2.gz SBRBWDPOZHAMBG-CXAGYDPISA-N 2 2 365.478 0.768 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ncccn3)CC2)O1 ZINC001029972495 1191055952 /nfs/dbraw/zinc/05/59/52/1191055952.db2.gz ISIUPRGTQLMZFV-NVXWUHKLSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ncccn3)CC2)O1 ZINC001029972495 1191055958 /nfs/dbraw/zinc/05/59/58/1191055958.db2.gz ISIUPRGTQLMZFV-NVXWUHKLSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ncccn3)CC2)O1 ZINC001029972495 1191055962 /nfs/dbraw/zinc/05/59/62/1191055962.db2.gz ISIUPRGTQLMZFV-NVXWUHKLSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3ncccn3)CC2)O1 ZINC001029972495 1191055966 /nfs/dbraw/zinc/05/59/66/1191055966.db2.gz ISIUPRGTQLMZFV-NVXWUHKLSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1 ZINC000986687162 1191081451 /nfs/dbraw/zinc/08/14/51/1191081451.db2.gz ZMCHYUMIPORQPS-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1 ZINC000986687162 1191081455 /nfs/dbraw/zinc/08/14/55/1191081455.db2.gz ZMCHYUMIPORQPS-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1c[nH+]cn1C ZINC000988195463 1191161070 /nfs/dbraw/zinc/16/10/70/1191161070.db2.gz HJUYTHJYXQZZKJ-COXVUDFISA-N 2 2 359.474 0.410 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)nn1 ZINC001088571705 1191207382 /nfs/dbraw/zinc/20/73/82/1191207382.db2.gz KTELZJXSZOZKFR-XYPHTWIQSA-N 2 2 359.474 0.906 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)nn1 ZINC001088571705 1191207383 /nfs/dbraw/zinc/20/73/83/1191207383.db2.gz KTELZJXSZOZKFR-XYPHTWIQSA-N 2 2 359.474 0.906 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218116680 1224141271 /nfs/dbraw/zinc/14/12/71/1224141271.db2.gz BCHCLNQZWPIMLK-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218116680 1224141272 /nfs/dbraw/zinc/14/12/72/1224141272.db2.gz BCHCLNQZWPIMLK-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218116680 1224141276 /nfs/dbraw/zinc/14/12/76/1224141276.db2.gz BCHCLNQZWPIMLK-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218116680 1224141279 /nfs/dbraw/zinc/14/12/79/1224141279.db2.gz BCHCLNQZWPIMLK-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001218128743 1224141808 /nfs/dbraw/zinc/14/18/08/1224141808.db2.gz AECDGGOYYDALHD-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001218128743 1224141810 /nfs/dbraw/zinc/14/18/10/1224141810.db2.gz AECDGGOYYDALHD-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001218128743 1224141813 /nfs/dbraw/zinc/14/18/13/1224141813.db2.gz AECDGGOYYDALHD-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001218128743 1224141814 /nfs/dbraw/zinc/14/18/14/1224141814.db2.gz AECDGGOYYDALHD-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC001218175104 1224144843 /nfs/dbraw/zinc/14/48/43/1224144843.db2.gz CAAGQTMUSCYECX-RRQGHBQHSA-N 2 2 360.414 0.095 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC001218175104 1224144844 /nfs/dbraw/zinc/14/48/44/1224144844.db2.gz CAAGQTMUSCYECX-RRQGHBQHSA-N 2 2 360.414 0.095 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197052 1224146960 /nfs/dbraw/zinc/14/69/60/1224146960.db2.gz ZACCDYSHUVETNX-RYQLBKOJSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197052 1224146967 /nfs/dbraw/zinc/14/69/67/1224146967.db2.gz ZACCDYSHUVETNX-RYQLBKOJSA-N 2 2 362.474 0.784 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000550665133 1193728983 /nfs/dbraw/zinc/72/89/83/1193728983.db2.gz DUCYUSQBXSCJGC-HOTGVXAUSA-N 2 2 370.538 0.552 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000989997542 1193775790 /nfs/dbraw/zinc/77/57/90/1193775790.db2.gz PESWDWIZELSELO-INMHGKMJSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000989997542 1193775793 /nfs/dbraw/zinc/77/57/93/1193775793.db2.gz PESWDWIZELSELO-INMHGKMJSA-N 2 2 361.490 0.943 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000551331406 1193850467 /nfs/dbraw/zinc/85/04/67/1193850467.db2.gz SOTGMJCNRRNGDO-HNNXBMFYSA-N 2 2 361.490 0.678 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000551331406 1193850469 /nfs/dbraw/zinc/85/04/69/1193850469.db2.gz SOTGMJCNRRNGDO-HNNXBMFYSA-N 2 2 361.490 0.678 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)ncn2)CC1 ZINC001218573554 1224175170 /nfs/dbraw/zinc/17/51/70/1224175170.db2.gz YFDVUXLGGHYPDT-MRXNPFEDSA-N 2 2 352.442 0.881 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ncn2)CC1 ZINC001218573068 1224175635 /nfs/dbraw/zinc/17/56/35/1224175635.db2.gz RLABCQOSOVMIJX-CQSZACIVSA-N 3 2 359.478 0.041 20 0 FCADLP CN1CCN(c2cc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)ncn2)CC1 ZINC001218573068 1224175641 /nfs/dbraw/zinc/17/56/41/1224175641.db2.gz RLABCQOSOVMIJX-CQSZACIVSA-N 2 2 359.478 0.041 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582707 1224178271 /nfs/dbraw/zinc/17/82/71/1224178271.db2.gz SCELYZOVHGIJCH-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582707 1224178276 /nfs/dbraw/zinc/17/82/76/1224178276.db2.gz SCELYZOVHGIJCH-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105668321 1193949557 /nfs/dbraw/zinc/94/95/57/1193949557.db2.gz JJCBMAVVZDKRHM-PSBWJHGTSA-N 2 2 364.490 0.609 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000552845499 1193954871 /nfs/dbraw/zinc/95/48/71/1193954871.db2.gz CMDITKKDBPQYTR-INIZCTEOSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000552845499 1193954875 /nfs/dbraw/zinc/95/48/75/1193954875.db2.gz CMDITKKDBPQYTR-INIZCTEOSA-N 2 2 370.497 0.856 20 0 FCADLP CCCCN(CCO)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552859567 1193955910 /nfs/dbraw/zinc/95/59/10/1193955910.db2.gz JPDDNDKZFUHBRI-UHFFFAOYSA-N 2 2 368.522 0.282 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553256012 1193982074 /nfs/dbraw/zinc/98/20/74/1193982074.db2.gz UBXPCXVARNIGRH-MRXNPFEDSA-N 2 2 369.473 0.564 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001218650748 1224189217 /nfs/dbraw/zinc/18/92/17/1224189217.db2.gz KMDGMLSSAZDJBE-ZAWLATJESA-N 2 2 374.485 0.862 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001218650748 1224189222 /nfs/dbraw/zinc/18/92/22/1224189222.db2.gz KMDGMLSSAZDJBE-ZAWLATJESA-N 2 2 374.485 0.862 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000842228865 1194108543 /nfs/dbraw/zinc/10/85/43/1194108543.db2.gz BVIDGUHUWULBMQ-UHFFFAOYSA-N 2 2 367.453 0.548 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765734 1194116975 /nfs/dbraw/zinc/11/69/75/1194116975.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765734 1194116979 /nfs/dbraw/zinc/11/69/79/1194116979.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765734 1194116981 /nfs/dbraw/zinc/11/69/81/1194116981.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765734 1194116987 /nfs/dbraw/zinc/11/69/87/1194116987.db2.gz SXZBKNHTBQHVDE-MMQJMDILSA-N 2 2 362.478 0.062 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)n1 ZINC001076107368 1194309237 /nfs/dbraw/zinc/30/92/37/1194309237.db2.gz SOGMOGVPNCNCMR-DLBZAZTESA-N 2 2 357.462 0.714 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]31)C2 ZINC001076245897 1194365412 /nfs/dbraw/zinc/36/54/12/1194365412.db2.gz VQMNHRQMJBALGQ-RLFYNMQTSA-N 2 2 371.485 0.565 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]31)C2 ZINC001076245897 1194365415 /nfs/dbraw/zinc/36/54/15/1194365415.db2.gz VQMNHRQMJBALGQ-RLFYNMQTSA-N 2 2 371.485 0.565 20 0 FCADLP Cn1nnc2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)Cc5c[nH+]c[nH]5)[C@@H]4C3)ccc21 ZINC001076294501 1194386564 /nfs/dbraw/zinc/38/65/64/1194386564.db2.gz OCXLJNFECNBXIO-KBXCAEBGSA-N 2 2 365.441 0.967 20 0 FCADLP Cn1nnc2cc(C[N@H+]3C[C@@H]4CCN(C(=O)Cc5c[nH+]c[nH]5)[C@@H]4C3)ccc21 ZINC001076294501 1194386571 /nfs/dbraw/zinc/38/65/71/1194386571.db2.gz OCXLJNFECNBXIO-KBXCAEBGSA-N 2 2 365.441 0.967 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076424757 1194468330 /nfs/dbraw/zinc/46/83/30/1194468330.db2.gz LNMZUSWYOJWNRL-RRQGHBQHSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076424757 1194468334 /nfs/dbraw/zinc/46/83/34/1194468334.db2.gz LNMZUSWYOJWNRL-RRQGHBQHSA-N 2 2 366.425 0.302 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276795499 1224219917 /nfs/dbraw/zinc/21/99/17/1224219917.db2.gz LGIXMJFMPXOYLE-VQIMIIECSA-N 3 2 363.506 0.557 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276795499 1224219921 /nfs/dbraw/zinc/21/99/21/1224219921.db2.gz LGIXMJFMPXOYLE-VQIMIIECSA-N 3 2 363.506 0.557 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462253 1194506793 /nfs/dbraw/zinc/50/67/93/1194506793.db2.gz NRBZCTHDNMFGPJ-BHYGNILZSA-N 2 2 359.474 0.505 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462253 1194506798 /nfs/dbraw/zinc/50/67/98/1194506798.db2.gz NRBZCTHDNMFGPJ-BHYGNILZSA-N 2 2 359.474 0.505 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218798504 1224225746 /nfs/dbraw/zinc/22/57/46/1224225746.db2.gz SAXKVXZCLHVLPK-ZDUSSCGKSA-N 2 2 372.429 0.727 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633422 1194606331 /nfs/dbraw/zinc/60/63/31/1194606331.db2.gz NFLKHBINONPKAF-YQQAZPJKSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633422 1194606336 /nfs/dbraw/zinc/60/63/36/1194606336.db2.gz NFLKHBINONPKAF-YQQAZPJKSA-N 2 2 359.474 0.863 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001076633451 1194606807 /nfs/dbraw/zinc/60/68/07/1194606807.db2.gz OFIBUNRFRQILNB-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001076633451 1194606809 /nfs/dbraw/zinc/60/68/09/1194606809.db2.gz OFIBUNRFRQILNB-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001218814681 1224230522 /nfs/dbraw/zinc/23/05/22/1224230522.db2.gz VAMMSPJLRKTZML-DLBZAZTESA-N 2 2 364.494 0.148 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001218814681 1224230529 /nfs/dbraw/zinc/23/05/29/1224230529.db2.gz VAMMSPJLRKTZML-DLBZAZTESA-N 2 2 364.494 0.148 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC001218874530 1224244386 /nfs/dbraw/zinc/24/43/86/1224244386.db2.gz YBNQOBSIUWAHDJ-KRWDZBQOSA-N 2 2 353.426 0.834 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805851 1195026122 /nfs/dbraw/zinc/02/61/22/1195026122.db2.gz XDFQCZNOWIJLPZ-FGTMMUONSA-N 2 2 359.470 0.420 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805851 1195026126 /nfs/dbraw/zinc/02/61/26/1195026126.db2.gz XDFQCZNOWIJLPZ-FGTMMUONSA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805851 1195026129 /nfs/dbraw/zinc/02/61/29/1195026129.db2.gz XDFQCZNOWIJLPZ-FGTMMUONSA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805851 1195026133 /nfs/dbraw/zinc/02/61/33/1195026133.db2.gz XDFQCZNOWIJLPZ-FGTMMUONSA-N 2 2 359.470 0.420 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812550 1195034186 /nfs/dbraw/zinc/03/41/86/1195034186.db2.gz LASDHICJBCMGKV-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812550 1195034190 /nfs/dbraw/zinc/03/41/90/1195034190.db2.gz LASDHICJBCMGKV-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812550 1195034194 /nfs/dbraw/zinc/03/41/94/1195034194.db2.gz LASDHICJBCMGKV-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812550 1195034199 /nfs/dbraw/zinc/03/41/99/1195034199.db2.gz LASDHICJBCMGKV-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834052 1195042462 /nfs/dbraw/zinc/04/24/62/1195042462.db2.gz DCZWEEGZWQWBNO-NUJGCVRESA-N 2 2 359.426 0.425 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834052 1195042468 /nfs/dbraw/zinc/04/24/68/1195042468.db2.gz DCZWEEGZWQWBNO-NUJGCVRESA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834052 1195042471 /nfs/dbraw/zinc/04/24/71/1195042471.db2.gz DCZWEEGZWQWBNO-NUJGCVRESA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834052 1195042474 /nfs/dbraw/zinc/04/24/74/1195042474.db2.gz DCZWEEGZWQWBNO-NUJGCVRESA-N 2 2 359.426 0.425 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001218927199 1224260981 /nfs/dbraw/zinc/26/09/81/1224260981.db2.gz XTAFVYQLQLQVFK-JTQLQIEISA-N 2 2 371.401 0.758 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563411 1195221811 /nfs/dbraw/zinc/22/18/11/1195221811.db2.gz OFSSOMIIZQNLGU-BBWFWOEESA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563411 1195221818 /nfs/dbraw/zinc/22/18/18/1195221818.db2.gz OFSSOMIIZQNLGU-BBWFWOEESA-N 2 2 364.490 0.905 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)o1 ZINC001218970609 1224274926 /nfs/dbraw/zinc/27/49/26/1224274926.db2.gz LWECNXKUUSHNJU-DOTOQJQBSA-N 2 2 366.462 0.281 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)o1 ZINC001218970609 1224274934 /nfs/dbraw/zinc/27/49/34/1224274934.db2.gz LWECNXKUUSHNJU-DOTOQJQBSA-N 2 2 366.462 0.281 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001077237929 1195340225 /nfs/dbraw/zinc/34/02/25/1195340225.db2.gz VJIRVUYOIQSYFD-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001077237929 1195340230 /nfs/dbraw/zinc/34/02/30/1195340230.db2.gz VJIRVUYOIQSYFD-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001077237929 1195340234 /nfs/dbraw/zinc/34/02/34/1195340234.db2.gz VJIRVUYOIQSYFD-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077236014 1195344575 /nfs/dbraw/zinc/34/45/75/1195344575.db2.gz CDBUSFSLMGYEJX-BRWVUGGUSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077236014 1195344580 /nfs/dbraw/zinc/34/45/80/1195344580.db2.gz CDBUSFSLMGYEJX-BRWVUGGUSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077236014 1195344586 /nfs/dbraw/zinc/34/45/86/1195344586.db2.gz CDBUSFSLMGYEJX-BRWVUGGUSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077236014 1195344591 /nfs/dbraw/zinc/34/45/91/1195344591.db2.gz CDBUSFSLMGYEJX-BRWVUGGUSA-N 2 2 365.449 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583212 1195537402 /nfs/dbraw/zinc/53/74/02/1195537402.db2.gz XMLLMXGVOIZRCW-KSZLIROESA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583212 1195537407 /nfs/dbraw/zinc/53/74/07/1195537407.db2.gz XMLLMXGVOIZRCW-KSZLIROESA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583422 1195538194 /nfs/dbraw/zinc/53/81/94/1195538194.db2.gz GDTWMJGKYOUERG-LZQZEXGQSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583422 1195538199 /nfs/dbraw/zinc/53/81/99/1195538199.db2.gz GDTWMJGKYOUERG-LZQZEXGQSA-N 2 2 370.453 0.686 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000906365554 1195626677 /nfs/dbraw/zinc/62/66/77/1195626677.db2.gz XJTZPFKUFPVOKQ-UHFFFAOYSA-N 2 2 360.502 0.993 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000906365554 1195626682 /nfs/dbraw/zinc/62/66/82/1195626682.db2.gz XJTZPFKUFPVOKQ-UHFFFAOYSA-N 2 2 360.502 0.993 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cc1 ZINC001083601798 1195664876 /nfs/dbraw/zinc/66/48/76/1195664876.db2.gz NPFOJKYQIYKMRH-MSOLQXFVSA-N 2 2 359.470 0.985 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cc1 ZINC001083601798 1195664880 /nfs/dbraw/zinc/66/48/80/1195664880.db2.gz NPFOJKYQIYKMRH-MSOLQXFVSA-N 2 2 359.470 0.985 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(OC3C[NH+](CCOCCO)C3)CC2)CC[N@@H+]1C ZINC001105708719 1195792858 /nfs/dbraw/zinc/79/28/58/1195792858.db2.gz WRAWPEKUZZCLIX-CRAIPNDOSA-N 2 2 369.506 0.027 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(OC3C[NH+](CCOCCO)C3)CC2)CC[N@H+]1C ZINC001105708719 1195792860 /nfs/dbraw/zinc/79/28/60/1195792860.db2.gz WRAWPEKUZZCLIX-CRAIPNDOSA-N 2 2 369.506 0.027 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(OC2CCOCC2)cc1 ZINC001219035517 1224307452 /nfs/dbraw/zinc/30/74/52/1224307452.db2.gz CBTJRFOXTDSUHW-SFHVURJKSA-N 2 2 362.474 0.933 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000910831816 1195851038 /nfs/dbraw/zinc/85/10/38/1195851038.db2.gz ZIRFBKIJVBUXBB-INIZCTEOSA-N 2 2 370.457 0.864 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000910951783 1195868052 /nfs/dbraw/zinc/86/80/52/1195868052.db2.gz FDXJONDBZMBZPC-QZTJIDSGSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000910951783 1195868053 /nfs/dbraw/zinc/86/80/53/1195868053.db2.gz FDXJONDBZMBZPC-QZTJIDSGSA-N 2 2 374.485 0.201 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357502 1196320857 /nfs/dbraw/zinc/32/08/57/1196320857.db2.gz FYEGTVUKYZTLNA-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357502 1196320859 /nfs/dbraw/zinc/32/08/59/1196320859.db2.gz FYEGTVUKYZTLNA-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357502 1196320862 /nfs/dbraw/zinc/32/08/62/1196320862.db2.gz FYEGTVUKYZTLNA-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357502 1196320865 /nfs/dbraw/zinc/32/08/65/1196320865.db2.gz FYEGTVUKYZTLNA-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668657 1196390546 /nfs/dbraw/zinc/39/05/46/1196390546.db2.gz ZYXIYERHPCQULE-FGTMMUONSA-N 2 2 362.474 0.827 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668657 1196390550 /nfs/dbraw/zinc/39/05/50/1196390550.db2.gz ZYXIYERHPCQULE-FGTMMUONSA-N 2 2 362.474 0.827 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000761073510 1196731951 /nfs/dbraw/zinc/73/19/51/1196731951.db2.gz WBYYCKKSJQLCSN-QGZVFWFLSA-N 2 2 360.502 0.975 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000761073510 1196731953 /nfs/dbraw/zinc/73/19/53/1196731953.db2.gz WBYYCKKSJQLCSN-QGZVFWFLSA-N 2 2 360.502 0.975 20 0 FCADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc[nH+]1 ZINC000594702750 1196734676 /nfs/dbraw/zinc/73/46/76/1196734676.db2.gz WQFAJYMUCIFDLD-KRXQYRFLSA-N 2 2 374.489 0.840 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+]1CCN1CCNC1=O ZINC001088849043 1196792475 /nfs/dbraw/zinc/79/24/75/1196792475.db2.gz BUSMHRBZWYNDKJ-MCIONIFRSA-N 2 2 360.462 0.434 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@H+]1CCN1CCNC1=O ZINC001088849043 1196792484 /nfs/dbraw/zinc/79/24/84/1196792484.db2.gz BUSMHRBZWYNDKJ-MCIONIFRSA-N 2 2 360.462 0.434 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N3CCC3)[C@@H]1C)C2 ZINC001088857254 1196804100 /nfs/dbraw/zinc/80/41/00/1196804100.db2.gz IBCTXWNLDHXPEF-KMFMINBZSA-N 2 2 359.474 0.565 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N3CCC3)[C@@H]1C)C2 ZINC001088857254 1196804101 /nfs/dbraw/zinc/80/41/01/1196804101.db2.gz IBCTXWNLDHXPEF-KMFMINBZSA-N 2 2 359.474 0.565 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064767 1196821593 /nfs/dbraw/zinc/82/15/93/1196821593.db2.gz HWKTZQBPWZVIEP-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088939199 1196842877 /nfs/dbraw/zinc/84/28/77/1196842877.db2.gz CPEFTZHDOQZXQJ-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088939199 1196842878 /nfs/dbraw/zinc/84/28/78/1196842878.db2.gz CPEFTZHDOQZXQJ-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C(=O)N1CC2(C1)CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2)n1cc[nH+]c1 ZINC001272451423 1197084384 /nfs/dbraw/zinc/08/43/84/1197084384.db2.gz GPKKJSLAHBOPBR-GDBMZVCRSA-N 2 2 357.458 0.599 20 0 FCADLP C[C@H](C(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1)n1cc[nH+]c1 ZINC001272454275 1197086211 /nfs/dbraw/zinc/08/62/11/1197086211.db2.gz YIEYCUDFEWJOHY-GDBMZVCRSA-N 2 2 357.458 0.742 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459121 1197088097 /nfs/dbraw/zinc/08/80/97/1197088097.db2.gz CNDFUDNNYVPCDD-AEFFLSMTSA-N 2 2 358.446 0.654 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459121 1197088101 /nfs/dbraw/zinc/08/81/01/1197088101.db2.gz CNDFUDNNYVPCDD-AEFFLSMTSA-N 2 2 358.446 0.654 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106130994 1197097896 /nfs/dbraw/zinc/09/78/96/1197097896.db2.gz IOXLUOPDQOHSTG-KBRIMQKVSA-N 2 2 360.458 0.948 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001272467476 1197104761 /nfs/dbraw/zinc/10/47/61/1197104761.db2.gz OHEGWQYAEAHBDH-INIZCTEOSA-N 2 2 358.446 0.238 20 0 FCADLP CC(C)[C@@H](CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)[NH+]1CCOCC1 ZINC000913884089 1197151394 /nfs/dbraw/zinc/15/13/94/1197151394.db2.gz JQFQIOCCMKOOJM-SJORKVTESA-N 2 2 359.536 0.749 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992685816 1197301334 /nfs/dbraw/zinc/30/13/34/1197301334.db2.gz FCVDQOYRUJMAJW-ALKREAHSSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992685816 1197301342 /nfs/dbraw/zinc/30/13/42/1197301342.db2.gz FCVDQOYRUJMAJW-ALKREAHSSA-N 2 2 359.474 0.662 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000992847927 1197555164 /nfs/dbraw/zinc/55/51/64/1197555164.db2.gz BBGGILWBICPJPC-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000992847927 1197555174 /nfs/dbraw/zinc/55/51/74/1197555174.db2.gz BBGGILWBICPJPC-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1)C1CC1 ZINC000993023044 1197686199 /nfs/dbraw/zinc/68/61/99/1197686199.db2.gz DQECQVDYVZLARW-SUMDDJOVSA-N 2 2 359.474 0.530 20 0 FCADLP CC1(C)c2ccc(NC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)cc2CNC1=O ZINC001219336724 1224432612 /nfs/dbraw/zinc/43/26/12/1224432612.db2.gz QCHUEKJZQRJNKT-INIZCTEOSA-N 2 2 359.474 0.283 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085242818 1197740397 /nfs/dbraw/zinc/74/03/97/1197740397.db2.gz IYIKHMFZEAGKQX-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085242818 1197740398 /nfs/dbraw/zinc/74/03/98/1197740398.db2.gz IYIKHMFZEAGKQX-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743986 /nfs/dbraw/zinc/74/39/86/1197743986.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197743992 /nfs/dbraw/zinc/74/39/92/1197743992.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197744001 /nfs/dbraw/zinc/74/40/01/1197744001.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275043 1197744010 /nfs/dbraw/zinc/74/40/10/1197744010.db2.gz OHAAEGOCVQFKOQ-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085250548 1197749234 /nfs/dbraw/zinc/74/92/34/1197749234.db2.gz YODUIVZGZBFKKB-NUEKZKHPSA-N 2 2 357.462 0.791 20 0 FCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224419 1197751950 /nfs/dbraw/zinc/75/19/50/1197751950.db2.gz XQSAHBUKVPAVMC-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224419 1197751961 /nfs/dbraw/zinc/75/19/61/1197751961.db2.gz XQSAHBUKVPAVMC-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993070184 1197787047 /nfs/dbraw/zinc/78/70/47/1197787047.db2.gz DZFASKRRWHTUJV-OGWOLHLISA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993080200 1197803022 /nfs/dbraw/zinc/80/30/22/1197803022.db2.gz GRNKLFHUIRCVBU-JTDSTZFVSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993080200 1197803023 /nfs/dbraw/zinc/80/30/23/1197803023.db2.gz GRNKLFHUIRCVBU-JTDSTZFVSA-N 2 2 359.474 0.674 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106334005 1197869356 /nfs/dbraw/zinc/86/93/56/1197869356.db2.gz SDEDCLKLBWWSRF-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085396471 1197869308 /nfs/dbraw/zinc/86/93/08/1197869308.db2.gz PBNZCPMQCKDOJO-ZIAGYGMSSA-N 2 2 358.450 0.502 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106342987 1197872312 /nfs/dbraw/zinc/87/23/12/1197872312.db2.gz LNDSRVQLEAJFQN-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000993160855 1197911925 /nfs/dbraw/zinc/91/19/25/1197911925.db2.gz WCKWUFXBEQOBKC-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000993160855 1197911934 /nfs/dbraw/zinc/91/19/34/1197911934.db2.gz WCKWUFXBEQOBKC-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736152965 1197921075 /nfs/dbraw/zinc/92/10/75/1197921075.db2.gz NMSSERXLVHWGER-KRWDZBQOSA-N 2 2 366.506 0.302 20 0 FCADLP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461988 1197940235 /nfs/dbraw/zinc/94/02/35/1197940235.db2.gz UVOMSXMYIGARFY-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)ccn1 ZINC001085670199 1197975958 /nfs/dbraw/zinc/97/59/58/1197975958.db2.gz RAJCUQJAAXUGSM-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)ccn1 ZINC001085670199 1197975961 /nfs/dbraw/zinc/97/59/61/1197975961.db2.gz RAJCUQJAAXUGSM-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)ccn1 ZINC001085670199 1197975964 /nfs/dbraw/zinc/97/59/64/1197975964.db2.gz RAJCUQJAAXUGSM-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)ccn1 ZINC001085670199 1197975969 /nfs/dbraw/zinc/97/59/69/1197975969.db2.gz RAJCUQJAAXUGSM-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CC[NH+]1CCOCC1 ZINC000737983267 1197987774 /nfs/dbraw/zinc/98/77/74/1197987774.db2.gz HLPRYFKABZMKIV-UHFFFAOYSA-N 2 2 360.502 0.989 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001085826265 1198016139 /nfs/dbraw/zinc/01/61/39/1198016139.db2.gz KFEFGCSCQAGGNB-GVDBMIGSSA-N 2 2 371.489 0.965 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001085826265 1198016149 /nfs/dbraw/zinc/01/61/49/1198016149.db2.gz KFEFGCSCQAGGNB-GVDBMIGSSA-N 2 2 371.489 0.965 20 0 FCADLP NC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001273364863 1198024824 /nfs/dbraw/zinc/02/48/24/1198024824.db2.gz TVAJJAOTWKBKQO-OAHLLOKOSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH+]ccn2C)C1 ZINC001006288258 1198243835 /nfs/dbraw/zinc/24/38/35/1198243835.db2.gz MGIABBAALJSLDS-VQHPVUNQSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH+]ccn2C)C1 ZINC001006288258 1198243844 /nfs/dbraw/zinc/24/38/44/1198243844.db2.gz MGIABBAALJSLDS-VQHPVUNQSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001006289096 1198252951 /nfs/dbraw/zinc/25/29/51/1198252951.db2.gz PQCAUWQSDUNAEH-FPCVCCKLSA-N 2 2 359.474 0.932 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086399268 1198353319 /nfs/dbraw/zinc/35/33/19/1198353319.db2.gz VVRXJJQXTLMUMD-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086399268 1198353324 /nfs/dbraw/zinc/35/33/24/1198353324.db2.gz VVRXJJQXTLMUMD-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086480470 1198954499 /nfs/dbraw/zinc/95/44/99/1198954499.db2.gz HWKRWQREZITILB-KLHDSHLOSA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001086482567 1198956520 /nfs/dbraw/zinc/95/65/20/1198956520.db2.gz LSYZLXRHKAMDGB-OXGONZEZSA-N 2 2 369.473 0.787 20 0 FCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)C[NH+](C)C ZINC001169161275 1199049646 /nfs/dbraw/zinc/04/96/46/1199049646.db2.gz AVVYAOWUYNINTI-KGLIPLIRSA-N 2 2 364.494 0.532 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129332220 1199069222 /nfs/dbraw/zinc/06/92/22/1199069222.db2.gz BXIMGDYBBBFFIO-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129332220 1199069227 /nfs/dbraw/zinc/06/92/27/1199069227.db2.gz BXIMGDYBBBFFIO-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCN(C(C)=O)C1)CCC2 ZINC001169550788 1199073847 /nfs/dbraw/zinc/07/38/47/1199073847.db2.gz WJYLYWZOZZIMCN-QGZVFWFLSA-N 2 2 361.490 0.912 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCN(C(C)=O)C1)CCC2 ZINC001169550788 1199073853 /nfs/dbraw/zinc/07/38/53/1199073853.db2.gz WJYLYWZOZZIMCN-QGZVFWFLSA-N 2 2 361.490 0.912 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129385392 1200098195 /nfs/dbraw/zinc/09/81/95/1200098195.db2.gz LSJDIMSLLKBANV-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129385392 1200098206 /nfs/dbraw/zinc/09/82/06/1200098206.db2.gz LSJDIMSLLKBANV-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001109294496 1200152831 /nfs/dbraw/zinc/15/28/31/1200152831.db2.gz QEITVEQEJREJJY-YRXWBPOGSA-N 2 2 374.529 0.966 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001109294496 1200152839 /nfs/dbraw/zinc/15/28/39/1200152839.db2.gz QEITVEQEJREJJY-YRXWBPOGSA-N 2 2 374.529 0.966 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001109384952 1200235795 /nfs/dbraw/zinc/23/57/95/1200235795.db2.gz UQXWDJQYULAPCT-QZWWFDLISA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001109384952 1200235801 /nfs/dbraw/zinc/23/58/01/1200235801.db2.gz UQXWDJQYULAPCT-QZWWFDLISA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001109384952 1200235803 /nfs/dbraw/zinc/23/58/03/1200235803.db2.gz UQXWDJQYULAPCT-QZWWFDLISA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001109384952 1200235804 /nfs/dbraw/zinc/23/58/04/1200235804.db2.gz UQXWDJQYULAPCT-QZWWFDLISA-N 2 2 358.446 0.321 20 0 FCADLP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400339 1200247913 /nfs/dbraw/zinc/24/79/13/1200247913.db2.gz BMRHZWGHYVIRGP-VSZNYVQBSA-N 2 2 363.506 0.961 20 0 FCADLP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400339 1200247918 /nfs/dbraw/zinc/24/79/18/1200247918.db2.gz BMRHZWGHYVIRGP-VSZNYVQBSA-N 2 2 363.506 0.961 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427871 1200271100 /nfs/dbraw/zinc/27/11/00/1200271100.db2.gz AHPVRBPMIQHOJX-HOSILWTGSA-N 2 2 367.494 0.140 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427871 1200271109 /nfs/dbraw/zinc/27/11/09/1200271109.db2.gz AHPVRBPMIQHOJX-HOSILWTGSA-N 2 2 367.494 0.140 20 0 FCADLP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001109473151 1200315368 /nfs/dbraw/zinc/31/53/68/1200315368.db2.gz XZEFQOHJKPYBBA-UGFHNGPFSA-N 2 2 370.413 0.173 20 0 FCADLP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001109473151 1200315376 /nfs/dbraw/zinc/31/53/76/1200315376.db2.gz XZEFQOHJKPYBBA-UGFHNGPFSA-N 2 2 370.413 0.173 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639100 1200428879 /nfs/dbraw/zinc/42/88/79/1200428879.db2.gz ONXVINWLLPVHJO-QZWWFDLISA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639100 1200428882 /nfs/dbraw/zinc/42/88/82/1200428882.db2.gz ONXVINWLLPVHJO-QZWWFDLISA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639100 1200428888 /nfs/dbraw/zinc/42/88/88/1200428888.db2.gz ONXVINWLLPVHJO-QZWWFDLISA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639100 1200428892 /nfs/dbraw/zinc/42/88/92/1200428892.db2.gz ONXVINWLLPVHJO-QZWWFDLISA-N 2 2 366.506 0.342 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001109635875 1200433154 /nfs/dbraw/zinc/43/31/54/1200433154.db2.gz XJVDELNRFNVJRF-KBXIAJHMSA-N 2 2 365.478 0.025 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001109635875 1200433161 /nfs/dbraw/zinc/43/31/61/1200433161.db2.gz XJVDELNRFNVJRF-KBXIAJHMSA-N 2 2 365.478 0.025 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001109635875 1200433166 /nfs/dbraw/zinc/43/31/66/1200433166.db2.gz XJVDELNRFNVJRF-KBXIAJHMSA-N 2 2 365.478 0.025 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001109635875 1200433172 /nfs/dbraw/zinc/43/31/72/1200433172.db2.gz XJVDELNRFNVJRF-KBXIAJHMSA-N 2 2 365.478 0.025 20 0 FCADLP Cn1ccc(N2CC[C@@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001109674318 1200461123 /nfs/dbraw/zinc/46/11/23/1200461123.db2.gz BGODQKLYOQUICK-FXUDXRNXSA-N 2 2 374.489 0.199 20 0 FCADLP Cn1ccc(N2CC[C@@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001109674318 1200461127 /nfs/dbraw/zinc/46/11/27/1200461127.db2.gz BGODQKLYOQUICK-FXUDXRNXSA-N 2 2 374.489 0.199 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718559 1200484212 /nfs/dbraw/zinc/48/42/12/1200484212.db2.gz IDELIMBTBABFMJ-RANZSIQMSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718559 1200484218 /nfs/dbraw/zinc/48/42/18/1200484218.db2.gz IDELIMBTBABFMJ-RANZSIQMSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718559 1200484231 /nfs/dbraw/zinc/48/42/31/1200484231.db2.gz IDELIMBTBABFMJ-RANZSIQMSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718559 1200484232 /nfs/dbraw/zinc/48/42/32/1200484232.db2.gz IDELIMBTBABFMJ-RANZSIQMSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718557 1200484865 /nfs/dbraw/zinc/48/48/65/1200484865.db2.gz IDELIMBTBABFMJ-BGTYHANMSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718557 1200484872 /nfs/dbraw/zinc/48/48/72/1200484872.db2.gz IDELIMBTBABFMJ-BGTYHANMSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718557 1200484878 /nfs/dbraw/zinc/48/48/78/1200484878.db2.gz IDELIMBTBABFMJ-BGTYHANMSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001109718557 1200484888 /nfs/dbraw/zinc/48/48/88/1200484888.db2.gz IDELIMBTBABFMJ-BGTYHANMSA-N 2 2 362.518 0.918 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001109847892 1200560303 /nfs/dbraw/zinc/56/03/03/1200560303.db2.gz MRAUFKCHJOPNKY-FXUDXRNXSA-N 2 2 373.444 0.854 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@@H]1CC1(F)F ZINC001109847892 1200560308 /nfs/dbraw/zinc/56/03/08/1200560308.db2.gz MRAUFKCHJOPNKY-FXUDXRNXSA-N 2 2 373.444 0.854 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219800495 1224619495 /nfs/dbraw/zinc/61/94/95/1224619495.db2.gz OMCYOKAPRQNMCA-ILXRZTDVSA-N 2 2 371.432 0.020 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219800495 1224619498 /nfs/dbraw/zinc/61/94/98/1224619498.db2.gz OMCYOKAPRQNMCA-ILXRZTDVSA-N 2 2 371.432 0.020 20 0 FCADLP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)n1 ZINC001109902646 1200602079 /nfs/dbraw/zinc/60/20/79/1200602079.db2.gz UJGWQTZYEKIRGD-NJAFHUGGSA-N 2 2 361.490 0.752 20 0 FCADLP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)n1 ZINC001109902646 1200602086 /nfs/dbraw/zinc/60/20/86/1200602086.db2.gz UJGWQTZYEKIRGD-NJAFHUGGSA-N 2 2 361.490 0.752 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001109928269 1200615422 /nfs/dbraw/zinc/61/54/22/1200615422.db2.gz OHZIIMWZOHWKCU-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001109928269 1200615431 /nfs/dbraw/zinc/61/54/31/1200615431.db2.gz OHZIIMWZOHWKCU-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109928269 1200615439 /nfs/dbraw/zinc/61/54/39/1200615439.db2.gz OHZIIMWZOHWKCU-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109928269 1200615451 /nfs/dbraw/zinc/61/54/51/1200615451.db2.gz OHZIIMWZOHWKCU-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975964 1200657246 /nfs/dbraw/zinc/65/72/46/1200657246.db2.gz MCKWTOKIIMIGON-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975964 1200657252 /nfs/dbraw/zinc/65/72/52/1200657252.db2.gz MCKWTOKIIMIGON-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975964 1200657256 /nfs/dbraw/zinc/65/72/56/1200657256.db2.gz MCKWTOKIIMIGON-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975964 1200657264 /nfs/dbraw/zinc/65/72/64/1200657264.db2.gz MCKWTOKIIMIGON-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815795 1224632188 /nfs/dbraw/zinc/63/21/88/1224632188.db2.gz KOTNMMDVMDFHDF-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815795 1224632195 /nfs/dbraw/zinc/63/21/95/1224632195.db2.gz KOTNMMDVMDFHDF-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815795 1224632201 /nfs/dbraw/zinc/63/22/01/1224632201.db2.gz KOTNMMDVMDFHDF-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815795 1224632210 /nfs/dbraw/zinc/63/22/10/1224632210.db2.gz KOTNMMDVMDFHDF-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000785648880 1200778736 /nfs/dbraw/zinc/77/87/36/1200778736.db2.gz NTYMKMAODYWCCD-IXDOHACOSA-N 2 2 367.490 0.583 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000785648880 1200778740 /nfs/dbraw/zinc/77/87/40/1200778740.db2.gz NTYMKMAODYWCCD-IXDOHACOSA-N 2 2 367.490 0.583 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@H](O)c4ncc[nH]4)CC3)cn2)CC1 ZINC000787767971 1200906006 /nfs/dbraw/zinc/90/60/06/1200906006.db2.gz WTAUVHFTGJHPCE-KRWDZBQOSA-N 2 2 371.489 0.897 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829735 1224641438 /nfs/dbraw/zinc/64/14/38/1224641438.db2.gz CFJZMQYVPGLLKF-INMHGKMJSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829735 1224641442 /nfs/dbraw/zinc/64/14/42/1224641442.db2.gz CFJZMQYVPGLLKF-INMHGKMJSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829735 1224641446 /nfs/dbraw/zinc/64/14/46/1224641446.db2.gz CFJZMQYVPGLLKF-INMHGKMJSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829735 1224641451 /nfs/dbraw/zinc/64/14/51/1224641451.db2.gz CFJZMQYVPGLLKF-INMHGKMJSA-N 2 2 364.494 0.142 20 0 FCADLP O=C1CCCN1[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361053 1201067318 /nfs/dbraw/zinc/06/73/18/1201067318.db2.gz BCQYNXFLPGMCIN-APWZRJJASA-N 2 2 362.474 0.947 20 0 FCADLP O=C1CCCN1[C@@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361053 1201067327 /nfs/dbraw/zinc/06/73/27/1201067327.db2.gz BCQYNXFLPGMCIN-APWZRJJASA-N 2 2 362.474 0.947 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361499 1201067551 /nfs/dbraw/zinc/06/75/51/1201067551.db2.gz BYPBUTJLAAJGFB-STQMWFEESA-N 2 2 362.482 0.537 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361499 1201067561 /nfs/dbraw/zinc/06/75/61/1201067561.db2.gz BYPBUTJLAAJGFB-STQMWFEESA-N 2 2 362.482 0.537 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCCO[C@@H]2CCOC2)CC1 ZINC001113358092 1201091160 /nfs/dbraw/zinc/09/11/60/1201091160.db2.gz XTBCACWDIVMYCK-BRWVUGGUSA-N 2 2 362.474 0.863 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219845210 1224651406 /nfs/dbraw/zinc/65/14/06/1224651406.db2.gz FMOSQNFSHMAEFP-RYRKJORJSA-N 2 2 370.538 0.379 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219845210 1224651408 /nfs/dbraw/zinc/65/14/08/1224651408.db2.gz FMOSQNFSHMAEFP-RYRKJORJSA-N 2 2 370.538 0.379 20 0 FCADLP CC[C@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCO1 ZINC001170193701 1201199622 /nfs/dbraw/zinc/19/96/22/1201199622.db2.gz RZNICEVEGVJORL-OEAJRASXSA-N 2 2 363.462 0.359 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000793704707 1201259433 /nfs/dbraw/zinc/25/94/33/1201259433.db2.gz BZNIXTJOMNYUAZ-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001086623616 1201349285 /nfs/dbraw/zinc/34/92/85/1201349285.db2.gz NMEFPOYJPKYKDA-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001086623616 1201349294 /nfs/dbraw/zinc/34/92/94/1201349294.db2.gz NMEFPOYJPKYKDA-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001086623616 1201349300 /nfs/dbraw/zinc/34/93/00/1201349300.db2.gz NMEFPOYJPKYKDA-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086623616 1201349312 /nfs/dbraw/zinc/34/93/12/1201349312.db2.gz NMEFPOYJPKYKDA-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624087 1201358860 /nfs/dbraw/zinc/35/88/60/1201358860.db2.gz MRGHTEZEHVVRBX-FHLIZLRMSA-N 2 2 369.469 0.910 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624087 1201358862 /nfs/dbraw/zinc/35/88/62/1201358862.db2.gz MRGHTEZEHVVRBX-FHLIZLRMSA-N 2 2 369.469 0.910 20 0 FCADLP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941359 1201440017 /nfs/dbraw/zinc/44/00/17/1201440017.db2.gz XASTXIKUIODPBQ-ZNMIVQPWSA-N 2 2 363.441 0.734 20 0 FCADLP O=C(c1cccc2[nH+]ccn21)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129930589 1201446690 /nfs/dbraw/zinc/44/66/90/1201446690.db2.gz LMFBCHWFLAVHDX-HIFRSBDPSA-N 2 2 357.393 0.941 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129952247 1201448209 /nfs/dbraw/zinc/44/82/09/1201448209.db2.gz LBFZLRXAKVCKLU-OLZOCXBDSA-N 2 2 371.367 0.859 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2n2ccnn2)no1 ZINC001129985242 1201462609 /nfs/dbraw/zinc/46/26/09/1201462609.db2.gz SVYBBKXNIWOSPH-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130023946 1201474391 /nfs/dbraw/zinc/47/43/91/1201474391.db2.gz GDLZSTLJFJAOPR-CVEARBPZSA-N 2 2 359.434 0.155 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130085934 1201494347 /nfs/dbraw/zinc/49/43/47/1201494347.db2.gz FBIDSOGLGBLMRY-CVEARBPZSA-N 2 2 361.450 0.021 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908374 1224677625 /nfs/dbraw/zinc/67/76/25/1224677625.db2.gz CVDONESQFSFKQX-QGTPRVQTSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908374 1224677629 /nfs/dbraw/zinc/67/76/29/1224677629.db2.gz CVDONESQFSFKQX-QGTPRVQTSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908374 1224677630 /nfs/dbraw/zinc/67/76/30/1224677630.db2.gz CVDONESQFSFKQX-QGTPRVQTSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908374 1224677635 /nfs/dbraw/zinc/67/76/35/1224677635.db2.gz CVDONESQFSFKQX-QGTPRVQTSA-N 2 2 364.490 0.801 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130110194 1201503610 /nfs/dbraw/zinc/50/36/10/1201503610.db2.gz ZISUTYPNVNGCHD-BMFZPTHFSA-N 2 2 361.450 0.021 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001219908429 1224678244 /nfs/dbraw/zinc/67/82/44/1224678244.db2.gz FWJGTRYQNPZWAF-OLMNPRSZSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001219908429 1224678248 /nfs/dbraw/zinc/67/82/48/1224678248.db2.gz FWJGTRYQNPZWAF-OLMNPRSZSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001219908429 1224678251 /nfs/dbraw/zinc/67/82/51/1224678251.db2.gz FWJGTRYQNPZWAF-OLMNPRSZSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001219908429 1224678254 /nfs/dbraw/zinc/67/82/54/1224678254.db2.gz FWJGTRYQNPZWAF-OLMNPRSZSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)o1 ZINC001219919928 1224681543 /nfs/dbraw/zinc/68/15/43/1224681543.db2.gz UCYZCRWSTMVTKE-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)o1 ZINC001219919928 1224681549 /nfs/dbraw/zinc/68/15/49/1224681549.db2.gz UCYZCRWSTMVTKE-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944348 1224693548 /nfs/dbraw/zinc/69/35/48/1224693548.db2.gz WZMGGPJCVNGIMG-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944348 1224693551 /nfs/dbraw/zinc/69/35/51/1224693551.db2.gz WZMGGPJCVNGIMG-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999271 1224722461 /nfs/dbraw/zinc/72/24/61/1224722461.db2.gz OLUCFBRJPLBNJO-RTBURBONSA-N 3 2 359.518 0.690 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000806501605 1202743060 /nfs/dbraw/zinc/74/30/60/1202743060.db2.gz ADLMWMAYKCNQIX-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073699 1224745812 /nfs/dbraw/zinc/74/58/12/1224745812.db2.gz IUYOYPLMDWZRFR-ZACQAIPSSA-N 2 2 366.506 0.081 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073699 1224745813 /nfs/dbraw/zinc/74/58/13/1224745813.db2.gz IUYOYPLMDWZRFR-ZACQAIPSSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073699 1224745817 /nfs/dbraw/zinc/74/58/17/1224745817.db2.gz IUYOYPLMDWZRFR-ZACQAIPSSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073699 1224745821 /nfs/dbraw/zinc/74/58/21/1224745821.db2.gz IUYOYPLMDWZRFR-ZACQAIPSSA-N 2 2 366.506 0.081 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1)[NH+](C)C ZINC001130809458 1202802910 /nfs/dbraw/zinc/80/29/10/1202802910.db2.gz ZKIRZJGUSLTPPB-MELADBBJSA-N 2 2 370.473 0.930 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n[nH]1 ZINC001130817495 1202808403 /nfs/dbraw/zinc/80/84/03/1202808403.db2.gz PVOUOLLBTGGAOS-UONOGXRCSA-N 2 2 361.450 0.844 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078362 1224747395 /nfs/dbraw/zinc/74/73/95/1224747395.db2.gz NGEJMMFEJXGVSP-BMFZPTHFSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078362 1224747402 /nfs/dbraw/zinc/74/74/02/1224747402.db2.gz NGEJMMFEJXGVSP-BMFZPTHFSA-N 2 2 366.506 0.079 20 0 FCADLP COc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001137531731 1202840073 /nfs/dbraw/zinc/84/00/73/1202840073.db2.gz WHMWJXNDDLDJMO-NVXWUHKLSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001137531731 1202840075 /nfs/dbraw/zinc/84/00/75/1202840075.db2.gz WHMWJXNDDLDJMO-NVXWUHKLSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001137531731 1202840077 /nfs/dbraw/zinc/84/00/77/1202840077.db2.gz WHMWJXNDDLDJMO-NVXWUHKLSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001137531731 1202840079 /nfs/dbraw/zinc/84/00/79/1202840079.db2.gz WHMWJXNDDLDJMO-NVXWUHKLSA-N 2 2 362.474 0.701 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038274 1202849570 /nfs/dbraw/zinc/84/95/70/1202849570.db2.gz IRBAMECVUIPGTD-ARFHVFGLSA-N 2 2 360.462 0.626 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079303 1202859997 /nfs/dbraw/zinc/85/99/97/1202859997.db2.gz KAUCYFHOAQCKAJ-BZUAXINKSA-N 2 2 360.462 0.798 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001131115157 1202867190 /nfs/dbraw/zinc/86/71/90/1202867190.db2.gz AKFKRIPFKSMUHP-HZPDHXFCSA-N 2 2 371.489 0.636 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001131115157 1202867191 /nfs/dbraw/zinc/86/71/91/1202867191.db2.gz AKFKRIPFKSMUHP-HZPDHXFCSA-N 2 2 371.489 0.636 20 0 FCADLP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001131318450 1202886887 /nfs/dbraw/zinc/88/68/87/1202886887.db2.gz ASEVJJMOITZGFN-XHSDSOJGSA-N 2 2 361.446 0.789 20 0 FCADLP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001131318450 1202886890 /nfs/dbraw/zinc/88/68/90/1202886890.db2.gz ASEVJJMOITZGFN-XHSDSOJGSA-N 2 2 361.446 0.789 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1C ZINC001086664914 1202886931 /nfs/dbraw/zinc/88/69/31/1202886931.db2.gz ISPBNSBYVWGNQC-ZNMIVQPWSA-N 2 2 364.494 0.083 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1C ZINC001086664914 1202886933 /nfs/dbraw/zinc/88/69/33/1202886933.db2.gz ISPBNSBYVWGNQC-ZNMIVQPWSA-N 2 2 364.494 0.083 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc(C2CC2)[nH+]1 ZINC001090500188 1202891594 /nfs/dbraw/zinc/89/15/94/1202891594.db2.gz QYUDIAFLTDHMLO-BFYDXBDKSA-N 2 2 359.474 0.668 20 0 FCADLP CO[C@H](C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CCC1 ZINC001131613673 1202921700 /nfs/dbraw/zinc/92/17/00/1202921700.db2.gz JVYAOHAWBOKBAO-FGTMMUONSA-N 2 2 369.506 0.387 20 0 FCADLP CCc1nocc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613617 1202921756 /nfs/dbraw/zinc/92/17/56/1202921756.db2.gz IEOMCFODKJJGEQ-WBVHZDCISA-N 2 2 366.462 0.323 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086732079 1203056873 /nfs/dbraw/zinc/05/68/73/1203056873.db2.gz UEDMAGTTYMACFW-YYIAUSFCSA-N 2 2 361.490 0.879 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086735915 1203061682 /nfs/dbraw/zinc/06/16/82/1203061682.db2.gz TWZHRGTUCBGOOW-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220105767 1224765162 /nfs/dbraw/zinc/76/51/62/1224765162.db2.gz KXWJLIYAQUFJMJ-ZACQAIPSSA-N 2 2 362.405 0.307 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220105767 1224765172 /nfs/dbraw/zinc/76/51/72/1224765172.db2.gz KXWJLIYAQUFJMJ-ZACQAIPSSA-N 2 2 362.405 0.307 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3occc3C[NH+](C)C)C2)n1 ZINC001086788103 1203094151 /nfs/dbraw/zinc/09/41/51/1203094151.db2.gz AALGOZPHSSLCCL-GXTWGEPZSA-N 2 2 361.450 0.553 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817981965 1203130274 /nfs/dbraw/zinc/13/02/74/1203130274.db2.gz AIVJIAARKWMGSA-JQHSSLGASA-N 2 2 363.458 0.991 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001086844057 1203203338 /nfs/dbraw/zinc/20/33/38/1203203338.db2.gz NSYFQFMURJRZGH-LZWOXQAQSA-N 2 2 368.441 0.644 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107352 1203275064 /nfs/dbraw/zinc/27/50/64/1203275064.db2.gz FAMNRARWEREJQQ-NCOADZHNSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107352 1203275069 /nfs/dbraw/zinc/27/50/69/1203275069.db2.gz FAMNRARWEREJQQ-NCOADZHNSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107812 1203287695 /nfs/dbraw/zinc/28/76/95/1203287695.db2.gz WHWIHDFPJKZECB-VLQPXKRTSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107812 1203287700 /nfs/dbraw/zinc/28/77/00/1203287700.db2.gz WHWIHDFPJKZECB-VLQPXKRTSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C3)ncn1 ZINC001110107856 1203289001 /nfs/dbraw/zinc/28/90/01/1203289001.db2.gz XNLSVWWGJWXNDZ-OAOYMFHYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C3)ncn1 ZINC001110107856 1203289005 /nfs/dbraw/zinc/28/90/05/1203289005.db2.gz XNLSVWWGJWXNDZ-OAOYMFHYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@@H]1O)CC2 ZINC001220224502 1224807844 /nfs/dbraw/zinc/80/78/44/1224807844.db2.gz QGQAZYOUQYJUTI-NXHRZFHOSA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@@H]1O)CC2 ZINC001220224502 1224807849 /nfs/dbraw/zinc/80/78/49/1224807849.db2.gz QGQAZYOUQYJUTI-NXHRZFHOSA-N 2 2 362.474 0.342 20 0 FCADLP COC(=O)[C@@]1(NC(=O)C2([NH3+])CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228159 1224809702 /nfs/dbraw/zinc/80/97/02/1224809702.db2.gz BYSJUBLBTLCXSB-LJQANCHMSA-N 3 2 360.458 0.001 20 0 FCADLP COC(=O)[C@@]1(NC(=O)C2([NH3+])CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228159 1224809703 /nfs/dbraw/zinc/80/97/03/1224809703.db2.gz BYSJUBLBTLCXSB-LJQANCHMSA-N 3 2 360.458 0.001 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268704 1224817430 /nfs/dbraw/zinc/81/74/30/1224817430.db2.gz FPTUEVGNVPMQCH-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268704 1224817432 /nfs/dbraw/zinc/81/74/32/1224817432.db2.gz FPTUEVGNVPMQCH-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273811 1224818757 /nfs/dbraw/zinc/81/87/57/1224818757.db2.gz UDWBLFWKFGNLNE-OIISXLGYSA-N 2 2 362.474 0.151 20 0 FCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273811 1224818758 /nfs/dbraw/zinc/81/87/58/1224818758.db2.gz UDWBLFWKFGNLNE-OIISXLGYSA-N 2 2 362.474 0.151 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CCCCC1 ZINC001220273604 1224819040 /nfs/dbraw/zinc/81/90/40/1224819040.db2.gz PAZLJCFXTBZQRF-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CCCCC1 ZINC001220273604 1224819044 /nfs/dbraw/zinc/81/90/44/1224819044.db2.gz PAZLJCFXTBZQRF-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276947 1224819438 /nfs/dbraw/zinc/81/94/38/1224819438.db2.gz OGYJKPFELCOAEB-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276947 1224819444 /nfs/dbraw/zinc/81/94/44/1224819444.db2.gz OGYJKPFELCOAEB-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001090934012 1204402893 /nfs/dbraw/zinc/40/28/93/1204402893.db2.gz IJDFFHSVDKLHQH-ZIAGYGMSSA-N 2 2 361.450 0.025 20 0 FCADLP CN(CC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1)C(N)=[NH2+] ZINC001144130311 1204425498 /nfs/dbraw/zinc/42/54/98/1204425498.db2.gz KCUBCUWSOBLJNS-ZDUSSCGKSA-N 2 2 357.418 0.141 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091133699 1204540957 /nfs/dbraw/zinc/54/09/57/1204540957.db2.gz SSPSXQIXYRDYSW-HLLBOEOZSA-N 2 2 361.490 0.914 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220359428 1224843741 /nfs/dbraw/zinc/84/37/41/1224843741.db2.gz MASSGHMUWRVMNI-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358664 1224842392 /nfs/dbraw/zinc/84/23/92/1224842392.db2.gz WBRSVJMGMSSQKY-LUKYLMHMSA-N 3 2 360.458 0.251 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220359428 1224843739 /nfs/dbraw/zinc/84/37/39/1224843739.db2.gz MASSGHMUWRVMNI-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220359428 1224843731 /nfs/dbraw/zinc/84/37/31/1224843731.db2.gz MASSGHMUWRVMNI-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)n1 ZINC001220359428 1224843734 /nfs/dbraw/zinc/84/37/34/1224843734.db2.gz MASSGHMUWRVMNI-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000846878384 1204670263 /nfs/dbraw/zinc/67/02/63/1204670263.db2.gz PXDSHJCUCAQFDI-OAHLLOKOSA-N 2 2 360.414 0.758 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565238 1204726693 /nfs/dbraw/zinc/72/66/93/1204726693.db2.gz HBAVYVZBSBFHMV-AYBZRNKSSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565238 1204726698 /nfs/dbraw/zinc/72/66/98/1204726698.db2.gz HBAVYVZBSBFHMV-AYBZRNKSSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565238 1204726700 /nfs/dbraw/zinc/72/67/00/1204726700.db2.gz HBAVYVZBSBFHMV-AYBZRNKSSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565238 1204726705 /nfs/dbraw/zinc/72/67/05/1204726705.db2.gz HBAVYVZBSBFHMV-AYBZRNKSSA-N 2 2 362.474 0.848 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H](O)C2)on1 ZINC001220377878 1224848566 /nfs/dbraw/zinc/84/85/66/1224848566.db2.gz RRUVAZDMZJDNEE-OIISXLGYSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H](O)C2)on1 ZINC001220377878 1224848568 /nfs/dbraw/zinc/84/85/68/1224848568.db2.gz RRUVAZDMZJDNEE-OIISXLGYSA-N 2 2 366.462 0.145 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382985 1224851505 /nfs/dbraw/zinc/85/15/05/1224851505.db2.gz SLIICANVZMAGGF-KONPQCLYSA-N 2 2 364.490 0.748 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382985 1224851506 /nfs/dbraw/zinc/85/15/06/1224851506.db2.gz SLIICANVZMAGGF-KONPQCLYSA-N 2 2 364.490 0.748 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147772699 1204807101 /nfs/dbraw/zinc/80/71/01/1204807101.db2.gz AGUBEBIVNOPAIJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147772699 1204807103 /nfs/dbraw/zinc/80/71/03/1204807103.db2.gz AGUBEBIVNOPAIJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147772699 1204807104 /nfs/dbraw/zinc/80/71/04/1204807104.db2.gz AGUBEBIVNOPAIJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147772699 1204807106 /nfs/dbraw/zinc/80/71/06/1204807106.db2.gz AGUBEBIVNOPAIJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666879 1204813057 /nfs/dbraw/zinc/81/30/57/1204813057.db2.gz JOXFLINRYSNAFU-SUMDDJOVSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666879 1204813058 /nfs/dbraw/zinc/81/30/58/1204813058.db2.gz JOXFLINRYSNAFU-SUMDDJOVSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666879 1204813060 /nfs/dbraw/zinc/81/30/60/1204813060.db2.gz JOXFLINRYSNAFU-SUMDDJOVSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091666879 1204813062 /nfs/dbraw/zinc/81/30/62/1204813062.db2.gz JOXFLINRYSNAFU-SUMDDJOVSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@]12CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001091691365 1204822528 /nfs/dbraw/zinc/82/25/28/1204822528.db2.gz RWXZPZMGDPKPLF-IIMJZQEZSA-N 2 2 371.485 0.431 20 0 FCADLP C[C@]12CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001091691365 1204822530 /nfs/dbraw/zinc/82/25/30/1204822530.db2.gz RWXZPZMGDPKPLF-IIMJZQEZSA-N 2 2 371.485 0.431 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001220387307 1224853968 /nfs/dbraw/zinc/85/39/68/1224853968.db2.gz GYPNNIQOOPZPPK-XYPHTWIQSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001220387307 1224853971 /nfs/dbraw/zinc/85/39/71/1224853971.db2.gz GYPNNIQOOPZPPK-XYPHTWIQSA-N 2 2 366.462 0.145 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716137 1204831002 /nfs/dbraw/zinc/83/10/02/1204831002.db2.gz KOTWPKNGRLESHK-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716137 1204831004 /nfs/dbraw/zinc/83/10/04/1204831004.db2.gz KOTWPKNGRLESHK-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716137 1204831005 /nfs/dbraw/zinc/83/10/05/1204831005.db2.gz KOTWPKNGRLESHK-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091716137 1204831007 /nfs/dbraw/zinc/83/10/07/1204831007.db2.gz KOTWPKNGRLESHK-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720914 1204832338 /nfs/dbraw/zinc/83/23/38/1204832338.db2.gz GVBIQNSAALPJNN-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720914 1204832339 /nfs/dbraw/zinc/83/23/39/1204832339.db2.gz GVBIQNSAALPJNN-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091720914 1204832341 /nfs/dbraw/zinc/83/23/41/1204832341.db2.gz GVBIQNSAALPJNN-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720822 1204832457 /nfs/dbraw/zinc/83/24/57/1204832457.db2.gz CXZJEPDPRPGIRV-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720822 1204832459 /nfs/dbraw/zinc/83/24/59/1204832459.db2.gz CXZJEPDPRPGIRV-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720822 1204832462 /nfs/dbraw/zinc/83/24/62/1204832462.db2.gz CXZJEPDPRPGIRV-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1cc[nH+]c(N)c1 ZINC001273448726 1204847907 /nfs/dbraw/zinc/84/79/07/1204847907.db2.gz AUYUBKWRZCLSSQ-IBGZPJMESA-N 2 2 359.474 0.752 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)C1 ZINC001086880715 1204856132 /nfs/dbraw/zinc/85/61/32/1204856132.db2.gz LSORNUBWJKRODV-GVDBMIGSSA-N 2 2 361.490 0.880 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)C1 ZINC001086880715 1204856134 /nfs/dbraw/zinc/85/61/34/1204856134.db2.gz LSORNUBWJKRODV-GVDBMIGSSA-N 2 2 361.490 0.880 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2cnn(C)c2)cn1 ZINC001087012421 1204898719 /nfs/dbraw/zinc/89/87/19/1204898719.db2.gz WVTFFKNRULQPBE-DLBZAZTESA-N 2 2 368.445 0.135 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2cncs2)cn1 ZINC001087012325 1204898978 /nfs/dbraw/zinc/89/89/78/1204898978.db2.gz RAYVCCSHNZLMML-JKSUJKDBSA-N 2 2 371.470 0.858 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087069410 1204956928 /nfs/dbraw/zinc/95/69/28/1204956928.db2.gz WYTATHZBBKTDPV-GDBMZVCRSA-N 2 2 361.446 0.994 20 0 FCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1OCC ZINC001087069279 1204957315 /nfs/dbraw/zinc/95/73/15/1204957315.db2.gz RIRMZHUWQJLWSE-ZJPYXAASSA-N 2 2 369.506 0.339 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1cnccn1 ZINC001087088193 1204977082 /nfs/dbraw/zinc/97/70/82/1204977082.db2.gz NGBKJCRVMVJDFT-JJRVBVJISA-N 2 2 358.446 0.957 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087099037 1204994734 /nfs/dbraw/zinc/99/47/34/1204994734.db2.gz ALOWDSZRXOSYIU-LZLYRXPVSA-N 2 2 364.490 0.842 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087098857 1204994754 /nfs/dbraw/zinc/99/47/54/1204994754.db2.gz QQNJZAWNNRULMV-CZUORRHYSA-N 2 2 362.434 0.605 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001087096957 1205005117 /nfs/dbraw/zinc/00/51/17/1205005117.db2.gz MSPYPIHVAAPWCZ-JFIYKMOQSA-N 2 2 364.490 0.842 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087097038 1205005613 /nfs/dbraw/zinc/00/56/13/1205005613.db2.gz RHMISRFVWUPBGO-RHSMWYFYSA-N 2 2 360.462 0.349 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795471 1205015401 /nfs/dbraw/zinc/01/54/01/1205015401.db2.gz YZRSYJSXCNCNNY-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795471 1205015406 /nfs/dbraw/zinc/01/54/06/1205015406.db2.gz YZRSYJSXCNCNNY-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091779864 1205026293 /nfs/dbraw/zinc/02/62/93/1205026293.db2.gz MPEJBYSQYBYAHL-APWZRJJASA-N 2 2 370.457 0.705 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091779864 1205026295 /nfs/dbraw/zinc/02/62/95/1205026295.db2.gz MPEJBYSQYBYAHL-APWZRJJASA-N 2 2 370.457 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccn(C)n4)C[C@@]3(C)C2)O1 ZINC001091782934 1205028017 /nfs/dbraw/zinc/02/80/17/1205028017.db2.gz MIYUKNGGRZLKIX-LFEHRJTNSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccn(C)n4)C[C@@]3(C)C2)O1 ZINC001091782934 1205028019 /nfs/dbraw/zinc/02/80/19/1205028019.db2.gz MIYUKNGGRZLKIX-LFEHRJTNSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)O1 ZINC001091782934 1205028022 /nfs/dbraw/zinc/02/80/22/1205028022.db2.gz MIYUKNGGRZLKIX-LFEHRJTNSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)O1 ZINC001091782934 1205028024 /nfs/dbraw/zinc/02/80/24/1205028024.db2.gz MIYUKNGGRZLKIX-LFEHRJTNSA-N 2 2 361.490 0.420 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818417 1205042078 /nfs/dbraw/zinc/04/20/78/1205042078.db2.gz GBIDDISBKHBZDE-QAPCUYQASA-N 2 2 358.490 0.724 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818417 1205042084 /nfs/dbraw/zinc/04/20/84/1205042084.db2.gz GBIDDISBKHBZDE-QAPCUYQASA-N 2 2 358.490 0.724 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001091883822 1205048583 /nfs/dbraw/zinc/04/85/83/1205048583.db2.gz YJRXHILPZARECZ-GGPKGHCWSA-N 2 2 365.518 0.650 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001091883822 1205048587 /nfs/dbraw/zinc/04/85/87/1205048587.db2.gz YJRXHILPZARECZ-GGPKGHCWSA-N 2 2 365.518 0.650 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091883822 1205048592 /nfs/dbraw/zinc/04/85/92/1205048592.db2.gz YJRXHILPZARECZ-GGPKGHCWSA-N 2 2 365.518 0.650 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@H]1C[NH+](CCCO)C2 ZINC001091883822 1205048596 /nfs/dbraw/zinc/04/85/96/1205048596.db2.gz YJRXHILPZARECZ-GGPKGHCWSA-N 2 2 365.518 0.650 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC001091898686 1205076616 /nfs/dbraw/zinc/07/66/16/1205076616.db2.gz RTENDOWQYADHES-BEFAXECRSA-N 2 2 359.474 0.674 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC001091898686 1205076619 /nfs/dbraw/zinc/07/66/19/1205076619.db2.gz RTENDOWQYADHES-BEFAXECRSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C)[NH+](C)C ZINC001091996791 1205097477 /nfs/dbraw/zinc/09/74/77/1205097477.db2.gz YPWXCMQUCXIAAY-KMFMINBZSA-N 2 2 360.506 0.888 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001092003344 1205100320 /nfs/dbraw/zinc/10/03/20/1205100320.db2.gz LKGGJKFJJODDHO-AFBRZQFHSA-N 2 2 371.485 0.889 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001092003344 1205100321 /nfs/dbraw/zinc/10/03/21/1205100321.db2.gz LKGGJKFJJODDHO-AFBRZQFHSA-N 2 2 371.485 0.889 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001092003234 1205100325 /nfs/dbraw/zinc/10/03/25/1205100325.db2.gz KBYBFSMNROUYJS-SIFCLUCFSA-N 2 2 371.485 0.842 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001092003234 1205100326 /nfs/dbraw/zinc/10/03/26/1205100326.db2.gz KBYBFSMNROUYJS-SIFCLUCFSA-N 2 2 371.485 0.842 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975774 1205105979 /nfs/dbraw/zinc/10/59/79/1205105979.db2.gz XMSFYVWOVSMRST-SIIHOXLZSA-N 2 2 361.494 0.393 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975774 1205105980 /nfs/dbraw/zinc/10/59/80/1205105980.db2.gz XMSFYVWOVSMRST-SIIHOXLZSA-N 2 2 361.494 0.393 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[NH+](C)CC3)[C@@H]1C ZINC001091980058 1205106639 /nfs/dbraw/zinc/10/66/39/1205106639.db2.gz BSLBWAJTIUTLNC-ZBFHGGJFSA-N 2 2 360.506 0.888 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[NH+](C)CC3)[C@@H]1C ZINC001091980058 1205106643 /nfs/dbraw/zinc/10/66/43/1205106643.db2.gz BSLBWAJTIUTLNC-ZBFHGGJFSA-N 2 2 360.506 0.888 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1C ZINC001091980058 1205106645 /nfs/dbraw/zinc/10/66/45/1205106645.db2.gz BSLBWAJTIUTLNC-ZBFHGGJFSA-N 2 2 360.506 0.888 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001091980058 1205106649 /nfs/dbraw/zinc/10/66/49/1205106649.db2.gz BSLBWAJTIUTLNC-ZBFHGGJFSA-N 2 2 360.506 0.888 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001092042742 1205110293 /nfs/dbraw/zinc/11/02/93/1205110293.db2.gz GDCQVCJPIVRNKL-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001092042742 1205110296 /nfs/dbraw/zinc/11/02/96/1205110296.db2.gz GDCQVCJPIVRNKL-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001220432168 1224870509 /nfs/dbraw/zinc/87/05/09/1224870509.db2.gz ZLMJZZLWGIGWGR-CVEARBPZSA-N 2 2 363.458 0.616 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049344 1205140068 /nfs/dbraw/zinc/14/00/68/1205140068.db2.gz AFBYTJBFRVYEGM-ZTQAJYAQSA-N 2 2 371.485 0.886 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049344 1205140069 /nfs/dbraw/zinc/14/00/69/1205140069.db2.gz AFBYTJBFRVYEGM-ZTQAJYAQSA-N 2 2 371.485 0.886 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)cc1=O ZINC001092138391 1205177887 /nfs/dbraw/zinc/17/78/87/1205177887.db2.gz XVEBWVZSEDLLRN-BEFAXECRSA-N 2 2 355.442 0.631 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)cc1=O ZINC001092138391 1205177890 /nfs/dbraw/zinc/17/78/90/1205177890.db2.gz XVEBWVZSEDLLRN-BEFAXECRSA-N 2 2 355.442 0.631 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442149 1224872786 /nfs/dbraw/zinc/87/27/86/1224872786.db2.gz YYIGGDQUKMYGPJ-XHSDSOJGSA-N 2 2 363.462 0.008 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442149 1224872791 /nfs/dbraw/zinc/87/27/91/1224872791.db2.gz YYIGGDQUKMYGPJ-XHSDSOJGSA-N 2 2 363.462 0.008 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092199791 1205194692 /nfs/dbraw/zinc/19/46/92/1205194692.db2.gz PIDINXMFNVLEAC-CLCXKQKWSA-N 2 2 369.473 0.522 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092199791 1205194696 /nfs/dbraw/zinc/19/46/96/1205194696.db2.gz PIDINXMFNVLEAC-CLCXKQKWSA-N 2 2 369.473 0.522 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092199183 1205195019 /nfs/dbraw/zinc/19/50/19/1205195019.db2.gz HBIIMEAEXXDMNW-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)C1=O ZINC001092199183 1205195028 /nfs/dbraw/zinc/19/50/28/1205195028.db2.gz HBIIMEAEXXDMNW-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092242537 1205209596 /nfs/dbraw/zinc/20/95/96/1205209596.db2.gz PAVWGAVJZHUQCR-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092242537 1205209612 /nfs/dbraw/zinc/20/96/12/1205209612.db2.gz PAVWGAVJZHUQCR-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273868 1205220408 /nfs/dbraw/zinc/22/04/08/1205220408.db2.gz UTCXSVKZXKTGCD-RKVPGOIHSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273868 1205220411 /nfs/dbraw/zinc/22/04/11/1205220411.db2.gz UTCXSVKZXKTGCD-RKVPGOIHSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273868 1205220415 /nfs/dbraw/zinc/22/04/15/1205220415.db2.gz UTCXSVKZXKTGCD-RKVPGOIHSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273868 1205220417 /nfs/dbraw/zinc/22/04/17/1205220417.db2.gz UTCXSVKZXKTGCD-RKVPGOIHSA-N 2 2 361.494 0.315 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092278310 1205224120 /nfs/dbraw/zinc/22/41/20/1205224120.db2.gz LQBDCCYOCCLDCC-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092278310 1205224124 /nfs/dbraw/zinc/22/41/24/1205224124.db2.gz LQBDCCYOCCLDCC-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092319643 1205247642 /nfs/dbraw/zinc/24/76/42/1205247642.db2.gz VBCVRILYHMLBPU-QAPCUYQASA-N 2 2 358.446 0.988 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092319643 1205247648 /nfs/dbraw/zinc/24/76/48/1205247648.db2.gz VBCVRILYHMLBPU-QAPCUYQASA-N 2 2 358.446 0.988 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001092415968 1205285144 /nfs/dbraw/zinc/28/51/44/1205285144.db2.gz LGRSWBSZJOZYRV-XPKDYRNWSA-N 2 2 371.489 0.892 20 0 FCADLP Cc1cnc2c(N(CC[NH3+])C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])nc3ccc(C)cc3n12 ZINC001220458365 1224879445 /nfs/dbraw/zinc/87/94/45/1224879445.db2.gz PBFLJOACOVGZFI-KBPBESRZSA-N 3 2 367.457 0.338 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092742620 1205349849 /nfs/dbraw/zinc/34/98/49/1205349849.db2.gz XOHAAUAGKRLOFS-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092742620 1205349852 /nfs/dbraw/zinc/34/98/52/1205349852.db2.gz XOHAAUAGKRLOFS-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478921 1224886676 /nfs/dbraw/zinc/88/66/76/1224886676.db2.gz PYYILPRHRBVXAT-UAGQMJEPSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478921 1224886678 /nfs/dbraw/zinc/88/66/78/1224886678.db2.gz PYYILPRHRBVXAT-UAGQMJEPSA-N 2 2 368.522 0.040 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092911764 1205940409 /nfs/dbraw/zinc/94/04/09/1205940409.db2.gz XXBPHOKAHXLULP-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092911764 1205940412 /nfs/dbraw/zinc/94/04/12/1205940412.db2.gz XXBPHOKAHXLULP-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092911764 1205940415 /nfs/dbraw/zinc/94/04/15/1205940415.db2.gz XXBPHOKAHXLULP-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092911764 1205940418 /nfs/dbraw/zinc/94/04/18/1205940418.db2.gz XXBPHOKAHXLULP-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001092958118 1205956522 /nfs/dbraw/zinc/95/65/22/1205956522.db2.gz KCAOPWJSXLRNRT-UMVBOHGHSA-N 2 2 359.474 0.792 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001092958118 1205956526 /nfs/dbraw/zinc/95/65/26/1205956526.db2.gz KCAOPWJSXLRNRT-UMVBOHGHSA-N 2 2 359.474 0.792 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092979653 1205965356 /nfs/dbraw/zinc/96/53/56/1205965356.db2.gz JXUGGXIZVYXUQD-RRCSTGOVSA-N 2 2 359.474 0.486 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092979653 1205965359 /nfs/dbraw/zinc/96/53/59/1205965359.db2.gz JXUGGXIZVYXUQD-RRCSTGOVSA-N 2 2 359.474 0.486 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133975 1206033040 /nfs/dbraw/zinc/03/30/40/1206033040.db2.gz RWYNVXRIKYUXID-HUUCEWRRSA-N 2 2 361.494 0.363 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133975 1206033043 /nfs/dbraw/zinc/03/30/43/1206033043.db2.gz RWYNVXRIKYUXID-HUUCEWRRSA-N 2 2 361.494 0.363 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136934 1206034036 /nfs/dbraw/zinc/03/40/36/1206034036.db2.gz FRMMNMQIKMWEFF-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136934 1206034039 /nfs/dbraw/zinc/03/40/39/1206034039.db2.gz FRMMNMQIKMWEFF-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194890 1206052304 /nfs/dbraw/zinc/05/23/04/1206052304.db2.gz FOTOIOYPUZHTMC-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194890 1206052310 /nfs/dbraw/zinc/05/23/10/1206052310.db2.gz FOTOIOYPUZHTMC-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093194890 1206052314 /nfs/dbraw/zinc/05/23/14/1206052314.db2.gz FOTOIOYPUZHTMC-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093194890 1206052317 /nfs/dbraw/zinc/05/23/17/1206052317.db2.gz FOTOIOYPUZHTMC-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1O ZINC001220553690 1224926675 /nfs/dbraw/zinc/92/66/75/1224926675.db2.gz PGSCWZFVFBSULH-MSOLQXFVSA-N 2 2 365.449 0.252 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1O ZINC001220553690 1224926692 /nfs/dbraw/zinc/92/66/92/1224926692.db2.gz PGSCWZFVFBSULH-MSOLQXFVSA-N 2 2 365.449 0.252 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093281385 1206071497 /nfs/dbraw/zinc/07/14/97/1206071497.db2.gz QVVNZJKAXJAYIB-BZUAXINKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093861002 1206135864 /nfs/dbraw/zinc/13/58/64/1206135864.db2.gz AJEVCBPVBDJYCZ-DGCLKSJQSA-N 2 2 369.429 0.483 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093873532 1206139458 /nfs/dbraw/zinc/13/94/58/1206139458.db2.gz OHBOQAXALNPZHZ-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001093913675 1206147069 /nfs/dbraw/zinc/14/70/69/1206147069.db2.gz BQASLLGWPSJMDO-RBSFLKMASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001093951448 1206157022 /nfs/dbraw/zinc/15/70/22/1206157022.db2.gz JQVGLNSMBSRHBN-HUUCEWRRSA-N 2 2 363.441 0.719 20 0 FCADLP COCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001094075021 1206179791 /nfs/dbraw/zinc/17/97/91/1206179791.db2.gz VQICPZZMCWMMGK-FRRDWIJNSA-N 2 2 362.434 0.927 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001094234638 1206208817 /nfs/dbraw/zinc/20/88/17/1206208817.db2.gz GVNFNCYEKIJBGH-FRFSOERESA-N 2 2 363.462 0.365 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001094254876 1206212695 /nfs/dbraw/zinc/21/26/95/1206212695.db2.gz RXZTUXJGFUKVNV-BFYDXBDKSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299964 1206215759 /nfs/dbraw/zinc/21/57/59/1206215759.db2.gz XJSJAHADUQUCIT-XJKCOSOUSA-N 2 2 368.457 0.218 20 0 FCADLP C[C@@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299964 1206215761 /nfs/dbraw/zinc/21/57/61/1206215761.db2.gz XJSJAHADUQUCIT-XJKCOSOUSA-N 2 2 368.457 0.218 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001094497366 1206232470 /nfs/dbraw/zinc/23/24/70/1206232470.db2.gz UJVQFAZBKSUOOL-NLWGTHIKSA-N 2 2 365.518 0.983 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001094497366 1206232473 /nfs/dbraw/zinc/23/24/73/1206232473.db2.gz UJVQFAZBKSUOOL-NLWGTHIKSA-N 2 2 365.518 0.983 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001094497366 1206232476 /nfs/dbraw/zinc/23/24/76/1206232476.db2.gz UJVQFAZBKSUOOL-NLWGTHIKSA-N 2 2 365.518 0.983 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001094497366 1206232479 /nfs/dbraw/zinc/23/24/79/1206232479.db2.gz UJVQFAZBKSUOOL-NLWGTHIKSA-N 2 2 365.518 0.983 20 0 FCADLP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220567722 1224937360 /nfs/dbraw/zinc/93/73/60/1224937360.db2.gz KFMNIIKDXKLWRV-DLBZAZTESA-N 2 2 356.426 0.944 20 0 FCADLP CC[N@@H+]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C1 ZINC001173360405 1206269554 /nfs/dbraw/zinc/26/95/54/1206269554.db2.gz DBAZLEGHISTJOT-HNNXBMFYSA-N 2 2 371.489 0.499 20 0 FCADLP CC[N@H+]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C1 ZINC001173360405 1206269558 /nfs/dbraw/zinc/26/95/58/1206269558.db2.gz DBAZLEGHISTJOT-HNNXBMFYSA-N 2 2 371.489 0.499 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])NC2CCN(CC(=O)OCc3ccccc3)CC2)CC1 ZINC001173464555 1206274791 /nfs/dbraw/zinc/27/47/91/1206274791.db2.gz IUTDNXMTAMRILM-UHFFFAOYSA-N 2 2 373.501 0.966 20 0 FCADLP c1cn(Cc2nnn3c2C[N@@H+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752216 1206287110 /nfs/dbraw/zinc/28/71/10/1206287110.db2.gz KQCTZYQFZWVJHU-HUUCEWRRSA-N 2 2 368.449 0.899 20 0 FCADLP c1cn(Cc2nnn3c2C[N@H+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752216 1206287111 /nfs/dbraw/zinc/28/71/11/1206287111.db2.gz KQCTZYQFZWVJHU-HUUCEWRRSA-N 2 2 368.449 0.899 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2CCCC2=O)C1 ZINC001095268106 1206291416 /nfs/dbraw/zinc/29/14/16/1206291416.db2.gz RELLTWVYXKBTRN-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2CCCC2=O)C1 ZINC001095268106 1206291417 /nfs/dbraw/zinc/29/14/17/1206291417.db2.gz RELLTWVYXKBTRN-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2CCCC2=O)C1 ZINC001095268106 1206291418 /nfs/dbraw/zinc/29/14/18/1206291418.db2.gz RELLTWVYXKBTRN-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2CCCC2=O)C1 ZINC001095268106 1206291421 /nfs/dbraw/zinc/29/14/21/1206291421.db2.gz RELLTWVYXKBTRN-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)C(C)C ZINC001220573522 1224941668 /nfs/dbraw/zinc/94/16/68/1224941668.db2.gz ZFKOASFKVYLEKV-RYRKJORJSA-N 2 2 370.538 0.381 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)C(C)C ZINC001220573522 1224941674 /nfs/dbraw/zinc/94/16/74/1224941674.db2.gz ZFKOASFKVYLEKV-RYRKJORJSA-N 2 2 370.538 0.381 20 0 FCADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C1 ZINC001175066341 1206299148 /nfs/dbraw/zinc/29/91/48/1206299148.db2.gz WAUIRSUSFXZRHO-HNNXBMFYSA-N 2 2 371.489 0.749 20 0 FCADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C1 ZINC001175066341 1206299152 /nfs/dbraw/zinc/29/91/52/1206299152.db2.gz WAUIRSUSFXZRHO-HNNXBMFYSA-N 2 2 371.489 0.749 20 0 FCADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)Cc1c[nH+]c[nH]1)CCC2 ZINC001176829432 1206321642 /nfs/dbraw/zinc/32/16/42/1206321642.db2.gz QXSMUVBBPPVGGO-UHFFFAOYSA-N 2 2 358.446 0.782 20 0 FCADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)Cc1c[nH+]c[nH]1)CCC2 ZINC001176829432 1206321645 /nfs/dbraw/zinc/32/16/45/1206321645.db2.gz QXSMUVBBPPVGGO-UHFFFAOYSA-N 2 2 358.446 0.782 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CN(C)c3cccc[nH+]3)CC[C@@H]2C1 ZINC001177410405 1206339234 /nfs/dbraw/zinc/33/92/34/1206339234.db2.gz PBNPCLYNUVCOOO-IAGOWNOFSA-N 2 2 362.474 0.714 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CN(C)c3cccc[nH+]3)CC[C@@H]2C1 ZINC001177410405 1206339236 /nfs/dbraw/zinc/33/92/36/1206339236.db2.gz PBNPCLYNUVCOOO-IAGOWNOFSA-N 2 2 362.474 0.714 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001178692733 1206362263 /nfs/dbraw/zinc/36/22/63/1206362263.db2.gz TXUMNLMEFPUOGX-MDZRGWNJSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001178692733 1206362266 /nfs/dbraw/zinc/36/22/66/1206362266.db2.gz TXUMNLMEFPUOGX-MDZRGWNJSA-N 2 2 367.490 0.726 20 0 FCADLP C[N@H+](C1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991095 1206370151 /nfs/dbraw/zinc/37/01/51/1206370151.db2.gz JHVUJQIRBGJKBQ-PKOBYXMFSA-N 2 2 359.470 0.819 20 0 FCADLP C[N@@H+](C1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991095 1206370154 /nfs/dbraw/zinc/37/01/54/1206370154.db2.gz JHVUJQIRBGJKBQ-PKOBYXMFSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+](C1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991095 1206370158 /nfs/dbraw/zinc/37/01/58/1206370158.db2.gz JHVUJQIRBGJKBQ-PKOBYXMFSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+](C1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991095 1206370161 /nfs/dbraw/zinc/37/01/61/1206370161.db2.gz JHVUJQIRBGJKBQ-PKOBYXMFSA-N 2 2 359.470 0.819 20 0 FCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001179013841 1206370531 /nfs/dbraw/zinc/37/05/31/1206370531.db2.gz DIJNCGVMCZUALC-GOSISDBHSA-N 2 2 366.506 0.156 20 0 FCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001179013841 1206370532 /nfs/dbraw/zinc/37/05/32/1206370532.db2.gz DIJNCGVMCZUALC-GOSISDBHSA-N 2 2 366.506 0.156 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001180409350 1206395196 /nfs/dbraw/zinc/39/51/96/1206395196.db2.gz FHYJPVHISAUYKV-DLBZAZTESA-N 2 2 370.453 1.000 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC001180409350 1206395198 /nfs/dbraw/zinc/39/51/98/1206395198.db2.gz FHYJPVHISAUYKV-DLBZAZTESA-N 2 2 370.453 1.000 20 0 FCADLP C[C@@H](C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)[NH+]1CCCC1 ZINC001180580962 1206396131 /nfs/dbraw/zinc/39/61/31/1206396131.db2.gz WARMPSADOGJBIY-HNNXBMFYSA-N 2 2 370.457 0.705 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001180758199 1206398676 /nfs/dbraw/zinc/39/86/76/1206398676.db2.gz AGDBNNFGQUNNMJ-VQIMIIECSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180758199 1206398679 /nfs/dbraw/zinc/39/86/79/1206398679.db2.gz AGDBNNFGQUNNMJ-VQIMIIECSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758199 1206398681 /nfs/dbraw/zinc/39/86/81/1206398681.db2.gz AGDBNNFGQUNNMJ-VQIMIIECSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758199 1206398683 /nfs/dbraw/zinc/39/86/83/1206398683.db2.gz AGDBNNFGQUNNMJ-VQIMIIECSA-N 2 2 361.442 0.251 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220584823 1224950297 /nfs/dbraw/zinc/95/02/97/1224950297.db2.gz LDQLWEIWWRZIDH-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220584823 1224950307 /nfs/dbraw/zinc/95/03/07/1224950307.db2.gz LDQLWEIWWRZIDH-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP C[NH+]1CCC(O)(C(=O)N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)CC1 ZINC001182034193 1206419185 /nfs/dbraw/zinc/41/91/85/1206419185.db2.gz PDFFSVZMIQRURI-UHFFFAOYSA-N 2 2 357.458 0.664 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220585139 1224952126 /nfs/dbraw/zinc/95/21/26/1224952126.db2.gz YMGVEIZXFBJIMY-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220585139 1224952133 /nfs/dbraw/zinc/95/21/33/1224952133.db2.gz YMGVEIZXFBJIMY-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001184056641 1206464252 /nfs/dbraw/zinc/46/42/52/1206464252.db2.gz PHLJYMBICYBDFW-UHFFFAOYSA-N 2 2 372.473 0.952 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001185251277 1206476982 /nfs/dbraw/zinc/47/69/82/1206476982.db2.gz MKPFLTUELLGTNK-INIZCTEOSA-N 2 2 369.473 0.160 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001185251277 1206476983 /nfs/dbraw/zinc/47/69/83/1206476983.db2.gz MKPFLTUELLGTNK-INIZCTEOSA-N 2 2 369.473 0.160 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC001186098857 1206493019 /nfs/dbraw/zinc/49/30/19/1206493019.db2.gz COQUZYKSRAIFHI-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC001186098857 1206493021 /nfs/dbraw/zinc/49/30/21/1206493021.db2.gz COQUZYKSRAIFHI-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220622410 1224972480 /nfs/dbraw/zinc/97/24/80/1224972480.db2.gz NAWUPOQKZQNKRM-VLIAUNLRSA-N 2 2 366.469 0.666 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220651265 1224990529 /nfs/dbraw/zinc/99/05/29/1224990529.db2.gz IJEPYFJHXZGDRZ-MOPGFXCFSA-N 3 2 371.529 0.786 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220651265 1224990535 /nfs/dbraw/zinc/99/05/35/1224990535.db2.gz IJEPYFJHXZGDRZ-MOPGFXCFSA-N 3 2 371.529 0.786 20 0 FCADLP Cc1n[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001188053400 1207413175 /nfs/dbraw/zinc/41/31/75/1207413175.db2.gz XVWFGQCGSLEOSY-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP Cc1n[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001188053400 1207413179 /nfs/dbraw/zinc/41/31/79/1207413179.db2.gz XVWFGQCGSLEOSY-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP Cc1nccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001188174927 1207430387 /nfs/dbraw/zinc/43/03/87/1207430387.db2.gz YICOOKXTWDYGSP-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1nccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001188174927 1207430390 /nfs/dbraw/zinc/43/03/90/1207430390.db2.gz YICOOKXTWDYGSP-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369946 1207447742 /nfs/dbraw/zinc/44/77/42/1207447742.db2.gz SWXQJXIKVZMZII-XYJFISCASA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369946 1207447744 /nfs/dbraw/zinc/44/77/44/1207447744.db2.gz SWXQJXIKVZMZII-XYJFISCASA-N 2 2 362.474 0.641 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189012938 1207495402 /nfs/dbraw/zinc/49/54/02/1207495402.db2.gz UNSULSFFXFVFIK-RYQLBKOJSA-N 2 2 359.474 0.956 20 0 FCADLP CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@@H]2C1 ZINC001189012938 1207495405 /nfs/dbraw/zinc/49/54/05/1207495405.db2.gz UNSULSFFXFVFIK-RYQLBKOJSA-N 2 2 359.474 0.956 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189012938 1207495409 /nfs/dbraw/zinc/49/54/09/1207495409.db2.gz UNSULSFFXFVFIK-RYQLBKOJSA-N 2 2 359.474 0.956 20 0 FCADLP CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@@H]2C1 ZINC001189012938 1207495410 /nfs/dbraw/zinc/49/54/10/1207495410.db2.gz UNSULSFFXFVFIK-RYQLBKOJSA-N 2 2 359.474 0.956 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]21 ZINC001189026676 1207500330 /nfs/dbraw/zinc/50/03/30/1207500330.db2.gz SXIDGBNOQJJLQM-WMLDXEAASA-N 2 2 360.458 0.815 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]21 ZINC001189026676 1207500333 /nfs/dbraw/zinc/50/03/33/1207500333.db2.gz SXIDGBNOQJJLQM-WMLDXEAASA-N 2 2 360.458 0.815 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21)[NH+](C)C ZINC001189151194 1207512646 /nfs/dbraw/zinc/51/26/46/1207512646.db2.gz BIOHYTPBAWSCJJ-BHYGNILZSA-N 2 2 362.474 0.769 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21)[NH+](C)C ZINC001189151194 1207512651 /nfs/dbraw/zinc/51/26/51/1207512651.db2.gz BIOHYTPBAWSCJJ-BHYGNILZSA-N 2 2 362.474 0.769 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001189245674 1207523597 /nfs/dbraw/zinc/52/35/97/1207523597.db2.gz GBCXLTYAHRFIDR-KVSKMBFKSA-N 2 2 370.453 0.925 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001189245674 1207523601 /nfs/dbraw/zinc/52/36/01/1207523601.db2.gz GBCXLTYAHRFIDR-KVSKMBFKSA-N 2 2 370.453 0.925 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189439830 1207554901 /nfs/dbraw/zinc/55/49/01/1207554901.db2.gz XNDYYWUAKLOZAF-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189439830 1207554909 /nfs/dbraw/zinc/55/49/09/1207554909.db2.gz XNDYYWUAKLOZAF-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149028 1207649125 /nfs/dbraw/zinc/64/91/25/1207649125.db2.gz OPWXVZWFUSIIQP-ZMSDIMECSA-N 2 2 360.458 0.380 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149028 1207649136 /nfs/dbraw/zinc/64/91/36/1207649136.db2.gz OPWXVZWFUSIIQP-ZMSDIMECSA-N 2 2 360.458 0.380 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149028 1207649140 /nfs/dbraw/zinc/64/91/40/1207649140.db2.gz OPWXVZWFUSIIQP-ZMSDIMECSA-N 2 2 360.458 0.380 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149028 1207649146 /nfs/dbraw/zinc/64/91/46/1207649146.db2.gz OPWXVZWFUSIIQP-ZMSDIMECSA-N 2 2 360.458 0.380 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001190176805 1207657566 /nfs/dbraw/zinc/65/75/66/1207657566.db2.gz GQPVJYQOLZAJQD-DLBZAZTESA-N 2 2 359.474 0.641 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001190176805 1207657572 /nfs/dbraw/zinc/65/75/72/1207657572.db2.gz GQPVJYQOLZAJQD-DLBZAZTESA-N 2 2 359.474 0.641 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263607 1207669849 /nfs/dbraw/zinc/66/98/49/1207669849.db2.gz WIQHEOYOPZJOMQ-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263607 1207669851 /nfs/dbraw/zinc/66/98/51/1207669851.db2.gz WIQHEOYOPZJOMQ-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263607 1207669853 /nfs/dbraw/zinc/66/98/53/1207669853.db2.gz WIQHEOYOPZJOMQ-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]32)C1 ZINC001190263607 1207669855 /nfs/dbraw/zinc/66/98/55/1207669855.db2.gz WIQHEOYOPZJOMQ-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001190363510 1207680960 /nfs/dbraw/zinc/68/09/60/1207680960.db2.gz OWRSYRKLIRSQJI-YESZJQIVSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001190363510 1207680966 /nfs/dbraw/zinc/68/09/66/1207680966.db2.gz OWRSYRKLIRSQJI-YESZJQIVSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001190363510 1207680973 /nfs/dbraw/zinc/68/09/73/1207680973.db2.gz OWRSYRKLIRSQJI-YESZJQIVSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001190363510 1207680984 /nfs/dbraw/zinc/68/09/84/1207680984.db2.gz OWRSYRKLIRSQJI-YESZJQIVSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220689485 1225018231 /nfs/dbraw/zinc/01/82/31/1225018231.db2.gz IDXKRPBXKFESRT-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220689485 1225018238 /nfs/dbraw/zinc/01/82/38/1225018238.db2.gz IDXKRPBXKFESRT-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220689485 1225018244 /nfs/dbraw/zinc/01/82/44/1225018244.db2.gz IDXKRPBXKFESRT-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220689485 1225018250 /nfs/dbraw/zinc/01/82/50/1225018250.db2.gz IDXKRPBXKFESRT-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C[N@H+](C)C2CCCC2)C[C@H]1c1cn(C)c[nH+]1 ZINC001273641274 1207837775 /nfs/dbraw/zinc/83/77/75/1207837775.db2.gz GXGCHUUHMXXHEW-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCCC2)C[C@H]1c1cn(C)c[nH+]1 ZINC001273641274 1207837776 /nfs/dbraw/zinc/83/77/76/1207837776.db2.gz GXGCHUUHMXXHEW-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001192639928 1207841345 /nfs/dbraw/zinc/84/13/45/1207841345.db2.gz MIVDYCXVNRRJHF-ZACQAIPSSA-N 2 2 358.442 0.891 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001192639928 1207841346 /nfs/dbraw/zinc/84/13/46/1207841346.db2.gz MIVDYCXVNRRJHF-ZACQAIPSSA-N 2 2 358.442 0.891 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806007 1207892013 /nfs/dbraw/zinc/89/20/13/1207892013.db2.gz XLAIJSQJIJUATH-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806007 1207892014 /nfs/dbraw/zinc/89/20/14/1207892014.db2.gz XLAIJSQJIJUATH-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193806007 1207892015 /nfs/dbraw/zinc/89/20/15/1207892015.db2.gz XLAIJSQJIJUATH-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193806007 1207892016 /nfs/dbraw/zinc/89/20/16/1207892016.db2.gz XLAIJSQJIJUATH-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC001193892292 1207897075 /nfs/dbraw/zinc/89/70/75/1207897075.db2.gz IHLJZSVVAFAWIT-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC001193892292 1207897076 /nfs/dbraw/zinc/89/70/76/1207897076.db2.gz IHLJZSVVAFAWIT-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001193892292 1207897078 /nfs/dbraw/zinc/89/70/78/1207897078.db2.gz IHLJZSVVAFAWIT-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001193892292 1207897080 /nfs/dbraw/zinc/89/70/80/1207897080.db2.gz IHLJZSVVAFAWIT-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001273676994 1207944814 /nfs/dbraw/zinc/94/48/14/1207944814.db2.gz OKZQJOBGCJATDH-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001273676994 1207944817 /nfs/dbraw/zinc/94/48/17/1207944817.db2.gz OKZQJOBGCJATDH-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001273676994 1207944818 /nfs/dbraw/zinc/94/48/18/1207944818.db2.gz OKZQJOBGCJATDH-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001273676994 1207944820 /nfs/dbraw/zinc/94/48/20/1207944820.db2.gz OKZQJOBGCJATDH-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961433 1207984280 /nfs/dbraw/zinc/98/42/80/1207984280.db2.gz LUFHGVALMTUOQP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961433 1207984283 /nfs/dbraw/zinc/98/42/83/1207984283.db2.gz LUFHGVALMTUOQP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549215 1208025535 /nfs/dbraw/zinc/02/55/35/1208025535.db2.gz TUSUUHOEXNXKHR-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549215 1208025538 /nfs/dbraw/zinc/02/55/38/1208025538.db2.gz TUSUUHOEXNXKHR-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549215 1208025541 /nfs/dbraw/zinc/02/55/41/1208025541.db2.gz TUSUUHOEXNXKHR-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549215 1208025543 /nfs/dbraw/zinc/02/55/43/1208025543.db2.gz TUSUUHOEXNXKHR-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196129858 1208056653 /nfs/dbraw/zinc/05/66/53/1208056653.db2.gz JMHMXIACKIUADK-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196129858 1208056657 /nfs/dbraw/zinc/05/66/57/1208056657.db2.gz JMHMXIACKIUADK-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196199926 1208065076 /nfs/dbraw/zinc/06/50/76/1208065076.db2.gz PIOHFQNSGDTKRP-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196199926 1208065078 /nfs/dbraw/zinc/06/50/78/1208065078.db2.gz PIOHFQNSGDTKRP-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196199926 1208065082 /nfs/dbraw/zinc/06/50/82/1208065082.db2.gz PIOHFQNSGDTKRP-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196199926 1208065084 /nfs/dbraw/zinc/06/50/84/1208065084.db2.gz PIOHFQNSGDTKRP-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196498614 1208089163 /nfs/dbraw/zinc/08/91/63/1208089163.db2.gz FJTZDGKCVMGUSK-ZTFGCOKTSA-N 2 2 358.442 0.688 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196498614 1208089165 /nfs/dbraw/zinc/08/91/65/1208089165.db2.gz FJTZDGKCVMGUSK-ZTFGCOKTSA-N 2 2 358.442 0.688 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)n1cc[nH+]c1 ZINC001196501417 1208089781 /nfs/dbraw/zinc/08/97/81/1208089781.db2.gz YYIGGDQUKMYGPJ-BZUAXINKSA-N 2 2 363.462 0.008 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)n1cc[nH+]c1 ZINC001196501417 1208089786 /nfs/dbraw/zinc/08/97/86/1208089786.db2.gz YYIGGDQUKMYGPJ-BZUAXINKSA-N 2 2 363.462 0.008 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196644886 1208096182 /nfs/dbraw/zinc/09/61/82/1208096182.db2.gz JJIPGJGZVYNSKY-HZPDHXFCSA-N 2 2 360.462 0.455 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196644886 1208096185 /nfs/dbraw/zinc/09/61/85/1208096185.db2.gz JJIPGJGZVYNSKY-HZPDHXFCSA-N 2 2 360.462 0.455 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001196940914 1208123662 /nfs/dbraw/zinc/12/36/62/1208123662.db2.gz VXVYCBOBYKPAMT-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O ZINC001196940914 1208123664 /nfs/dbraw/zinc/12/36/64/1208123664.db2.gz VXVYCBOBYKPAMT-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433217 1208164415 /nfs/dbraw/zinc/16/44/15/1208164415.db2.gz GTOZETVLXMPOQJ-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433217 1208164418 /nfs/dbraw/zinc/16/44/18/1208164418.db2.gz GTOZETVLXMPOQJ-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752530 1208194457 /nfs/dbraw/zinc/19/44/57/1208194457.db2.gz PNSWDQAGUQDKJJ-IAOVAPTHSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752530 1208194458 /nfs/dbraw/zinc/19/44/58/1208194458.db2.gz PNSWDQAGUQDKJJ-IAOVAPTHSA-N 2 2 359.430 0.203 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220747107 1225051958 /nfs/dbraw/zinc/05/19/58/1225051958.db2.gz YTHZMGUXSDRONR-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220747107 1225051964 /nfs/dbraw/zinc/05/19/64/1225051964.db2.gz YTHZMGUXSDRONR-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926728 1208206002 /nfs/dbraw/zinc/20/60/02/1208206002.db2.gz UTGGZTSHOIYDKY-BZUAXINKSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926728 1208206005 /nfs/dbraw/zinc/20/60/05/1208206005.db2.gz UTGGZTSHOIYDKY-BZUAXINKSA-N 2 2 370.538 0.573 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001197948031 1208208500 /nfs/dbraw/zinc/20/85/00/1208208500.db2.gz CZEWVAGXNCRUDJ-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001197948031 1208208502 /nfs/dbraw/zinc/20/85/02/1208208502.db2.gz CZEWVAGXNCRUDJ-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955947 1208209187 /nfs/dbraw/zinc/20/91/87/1208209187.db2.gz ROQGXEPMUFRDMB-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955947 1208209191 /nfs/dbraw/zinc/20/91/91/1208209191.db2.gz ROQGXEPMUFRDMB-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038863 1208215956 /nfs/dbraw/zinc/21/59/56/1208215956.db2.gz VZNPJPLSRKFYBL-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038863 1208215958 /nfs/dbraw/zinc/21/59/58/1208215958.db2.gz VZNPJPLSRKFYBL-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038863 1208215959 /nfs/dbraw/zinc/21/59/59/1208215959.db2.gz VZNPJPLSRKFYBL-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038863 1208215960 /nfs/dbraw/zinc/21/59/60/1208215960.db2.gz VZNPJPLSRKFYBL-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)n1 ZINC001110510780 1208257059 /nfs/dbraw/zinc/25/70/59/1208257059.db2.gz KNTAUFNGYBQMNM-OAGGEKHMSA-N 2 2 357.462 0.972 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)n1 ZINC001110510780 1208257063 /nfs/dbraw/zinc/25/70/63/1208257063.db2.gz KNTAUFNGYBQMNM-OAGGEKHMSA-N 2 2 357.462 0.972 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001199023404 1208310038 /nfs/dbraw/zinc/31/00/38/1208310038.db2.gz HWDSPLWXKFKWNL-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001199023404 1208310042 /nfs/dbraw/zinc/31/00/42/1208310042.db2.gz HWDSPLWXKFKWNL-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001199119587 1208319618 /nfs/dbraw/zinc/31/96/18/1208319618.db2.gz LGRHHVXORPMQHK-KURKYZTESA-N 2 2 357.458 0.347 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)c1ccccc1 ZINC001199119587 1208319620 /nfs/dbraw/zinc/31/96/20/1208319620.db2.gz LGRHHVXORPMQHK-KURKYZTESA-N 2 2 357.458 0.347 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCCNC(=O)c2ccncc2)CC1 ZINC001199359742 1208342411 /nfs/dbraw/zinc/34/24/11/1208342411.db2.gz HVCDPYMVWOHWDF-UHFFFAOYSA-N 2 2 368.441 0.388 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220757493 1225058285 /nfs/dbraw/zinc/05/82/85/1225058285.db2.gz IDBYTQYYUQXTPI-MSOLQXFVSA-N 2 2 358.442 0.593 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220757493 1225058294 /nfs/dbraw/zinc/05/82/94/1225058294.db2.gz IDBYTQYYUQXTPI-MSOLQXFVSA-N 2 2 358.442 0.593 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220757735 1225058832 /nfs/dbraw/zinc/05/88/32/1225058832.db2.gz VDIWMJRDCAAISQ-MSOLQXFVSA-N 2 2 364.490 0.721 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001220757735 1225058842 /nfs/dbraw/zinc/05/88/42/1225058842.db2.gz VDIWMJRDCAAISQ-MSOLQXFVSA-N 2 2 364.490 0.721 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@@H]1O ZINC001220768625 1225062242 /nfs/dbraw/zinc/06/22/42/1225062242.db2.gz VRLKNDZYCKMOAB-CVEARBPZSA-N 2 2 371.428 0.864 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@@H]1O ZINC001220768625 1225062253 /nfs/dbraw/zinc/06/22/53/1225062253.db2.gz VRLKNDZYCKMOAB-CVEARBPZSA-N 2 2 371.428 0.864 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768633 1225063639 /nfs/dbraw/zinc/06/36/39/1225063639.db2.gz VXNADEFSWFHUAC-SJORKVTESA-N 2 2 367.494 0.012 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768633 1225063651 /nfs/dbraw/zinc/06/36/51/1225063651.db2.gz VXNADEFSWFHUAC-SJORKVTESA-N 2 2 367.494 0.012 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC3(C2)C[NH+](CCn2ccnc2)C3)CC1 ZINC001273847667 1208426510 /nfs/dbraw/zinc/42/65/10/1208426510.db2.gz IGIUDOOHGHCERX-UHFFFAOYSA-N 2 2 360.506 0.053 20 0 FCADLP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201119062 1208446164 /nfs/dbraw/zinc/44/61/64/1208446164.db2.gz ZXILWXHFJXWKDY-HUUCEWRRSA-N 2 2 363.462 0.247 20 0 FCADLP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201119062 1208446165 /nfs/dbraw/zinc/44/61/65/1208446165.db2.gz ZXILWXHFJXWKDY-HUUCEWRRSA-N 2 2 363.462 0.247 20 0 FCADLP O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)Nc1cnccn1 ZINC001201125096 1208447602 /nfs/dbraw/zinc/44/76/02/1208447602.db2.gz GUKLNJAMXQOKMP-ZIAGYGMSSA-N 2 2 369.429 0.523 20 0 FCADLP O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)Nc1cnccn1 ZINC001201125096 1208447604 /nfs/dbraw/zinc/44/76/04/1208447604.db2.gz GUKLNJAMXQOKMP-ZIAGYGMSSA-N 2 2 369.429 0.523 20 0 FCADLP COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125487 1208447630 /nfs/dbraw/zinc/44/76/30/1208447630.db2.gz ZFCPPIHXKMCNKO-HUUCEWRRSA-N 2 2 363.462 0.247 20 0 FCADLP COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125487 1208447633 /nfs/dbraw/zinc/44/76/33/1208447633.db2.gz ZFCPPIHXKMCNKO-HUUCEWRRSA-N 2 2 363.462 0.247 20 0 FCADLP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001489536926 1208897859 /nfs/dbraw/zinc/89/78/59/1208897859.db2.gz OAWSGSUSQTWPQK-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CCOC(=O)C1(NC(=O)C2(N)CC[NH+](Cc3ccccc3)CC2)C[NH2+]C1 ZINC001220850949 1225106116 /nfs/dbraw/zinc/10/61/16/1225106116.db2.gz BHWDKAJEXHCCAL-UHFFFAOYSA-N 2 2 360.458 0.001 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220888216 1225124249 /nfs/dbraw/zinc/12/42/49/1225124249.db2.gz GOADVLNRLSODHS-SQNIBIBYSA-N 2 2 364.490 0.455 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220888216 1225124252 /nfs/dbraw/zinc/12/42/52/1225124252.db2.gz GOADVLNRLSODHS-SQNIBIBYSA-N 2 2 364.490 0.455 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644373 1209538542 /nfs/dbraw/zinc/53/85/42/1209538542.db2.gz JECRWPHFOBDEQV-VQHPVUNQSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644373 1209538546 /nfs/dbraw/zinc/53/85/46/1209538546.db2.gz JECRWPHFOBDEQV-VQHPVUNQSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644373 1209538549 /nfs/dbraw/zinc/53/85/49/1209538549.db2.gz JECRWPHFOBDEQV-VQHPVUNQSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644373 1209538551 /nfs/dbraw/zinc/53/85/51/1209538551.db2.gz JECRWPHFOBDEQV-VQHPVUNQSA-N 2 2 366.462 0.088 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H](O)c3ccnn3C)CC2)CC1 ZINC000856800985 1209729674 /nfs/dbraw/zinc/72/96/74/1209729674.db2.gz IXMXTKIKZSVWCK-YJBOKZPZSA-N 2 2 363.506 0.718 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001110741244 1209780616 /nfs/dbraw/zinc/78/06/16/1209780616.db2.gz XINSBXJODDBASZ-AHCXZYCDSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001110741244 1209780618 /nfs/dbraw/zinc/78/06/18/1209780618.db2.gz XINSBXJODDBASZ-AHCXZYCDSA-N 2 2 371.485 0.693 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110808338 1209887020 /nfs/dbraw/zinc/88/70/20/1209887020.db2.gz AMACPFLCGOXYAM-YUELXQCFSA-N 2 2 370.413 0.125 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110808338 1209887023 /nfs/dbraw/zinc/88/70/23/1209887023.db2.gz AMACPFLCGOXYAM-YUELXQCFSA-N 2 2 370.413 0.125 20 0 FCADLP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220974635 1225169243 /nfs/dbraw/zinc/16/92/43/1225169243.db2.gz FUNPKTSHKZMIES-UZLBHIALSA-N 3 2 360.477 0.806 20 0 FCADLP Cn1cc([C@@H](O)C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000865475412 1209979445 /nfs/dbraw/zinc/97/94/45/1209979445.db2.gz WKHYLGXGVGJRFI-IBGZPJMESA-N 2 2 360.458 0.954 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023373 1225189954 /nfs/dbraw/zinc/18/99/54/1225189954.db2.gz JJHBJPJPGOBBRQ-KRWDZBQOSA-N 2 2 355.442 0.911 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876919659 1210434599 /nfs/dbraw/zinc/43/45/99/1210434599.db2.gz WZFRWZMIURQPJZ-UTCJRWHESA-N 2 2 374.485 0.798 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3c(C[NH3+])cnn3C)C2)c1 ZINC000877249512 1210441341 /nfs/dbraw/zinc/44/13/41/1210441341.db2.gz WKQMVTYKBWBJFP-KRWDZBQOSA-N 2 2 357.458 0.818 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3c(C[NH3+])cnn3C)C2)c1 ZINC000877249512 1210441344 /nfs/dbraw/zinc/44/13/44/1210441344.db2.gz WKQMVTYKBWBJFP-KRWDZBQOSA-N 2 2 357.458 0.818 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000826075467 1210466722 /nfs/dbraw/zinc/46/67/22/1210466722.db2.gz VRIHMDJUKQKKPZ-SFHVURJKSA-N 2 2 358.486 0.886 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000826075467 1210466725 /nfs/dbraw/zinc/46/67/25/1210466725.db2.gz VRIHMDJUKQKKPZ-SFHVURJKSA-N 2 2 358.486 0.886 20 0 FCADLP CN1C(=O)[C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1=O ZINC000879535376 1210487847 /nfs/dbraw/zinc/48/78/47/1210487847.db2.gz LTJNJYDCNXZLKU-HDICACEKSA-N 2 2 356.470 0.745 20 0 FCADLP CN1C(=O)[C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1=O ZINC000879535376 1210487848 /nfs/dbraw/zinc/48/78/48/1210487848.db2.gz LTJNJYDCNXZLKU-HDICACEKSA-N 2 2 356.470 0.745 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572000 1210489394 /nfs/dbraw/zinc/48/93/94/1210489394.db2.gz MVLKPSXWVBNCOI-IKGGRYGDSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572000 1210489397 /nfs/dbraw/zinc/48/93/97/1210489397.db2.gz MVLKPSXWVBNCOI-IKGGRYGDSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572000 1210489399 /nfs/dbraw/zinc/48/93/99/1210489399.db2.gz MVLKPSXWVBNCOI-IKGGRYGDSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572000 1210489403 /nfs/dbraw/zinc/48/94/03/1210489403.db2.gz MVLKPSXWVBNCOI-IKGGRYGDSA-N 2 2 374.485 0.979 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095648 1225220989 /nfs/dbraw/zinc/22/09/89/1225220989.db2.gz HGSIZKAWGHRNRH-SOLBZPMBSA-N 2 2 358.442 0.947 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095648 1225220994 /nfs/dbraw/zinc/22/09/94/1225220994.db2.gz HGSIZKAWGHRNRH-SOLBZPMBSA-N 2 2 358.442 0.947 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091160 1225216998 /nfs/dbraw/zinc/21/69/98/1225216998.db2.gz DNWLXCFISDVVIL-BBWFWOEESA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091160 1225217003 /nfs/dbraw/zinc/21/70/03/1225217003.db2.gz DNWLXCFISDVVIL-BBWFWOEESA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091160 1225217009 /nfs/dbraw/zinc/21/70/09/1225217009.db2.gz DNWLXCFISDVVIL-BBWFWOEESA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091160 1225217013 /nfs/dbraw/zinc/21/70/13/1225217013.db2.gz DNWLXCFISDVVIL-BBWFWOEESA-N 2 2 370.538 0.522 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880567513 1210551868 /nfs/dbraw/zinc/55/18/68/1210551868.db2.gz JLXTWDNARYQILF-SFHVURJKSA-N 2 2 355.442 0.905 20 0 FCADLP O=C(CC[N@@H+]1CCc2ncncc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000880595937 1210553817 /nfs/dbraw/zinc/55/38/17/1210553817.db2.gz UUNANUBWSJZFQX-UHFFFAOYSA-N 2 2 352.442 0.969 20 0 FCADLP O=C(CC[N@H+]1CCc2ncncc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000880595937 1210553828 /nfs/dbraw/zinc/55/38/28/1210553828.db2.gz UUNANUBWSJZFQX-UHFFFAOYSA-N 2 2 352.442 0.969 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000882726234 1210634468 /nfs/dbraw/zinc/63/44/68/1210634468.db2.gz NTDISQXYSYSDAV-INIZCTEOSA-N 2 2 374.489 0.492 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000882815557 1210635885 /nfs/dbraw/zinc/63/58/85/1210635885.db2.gz KREKDBXGZRHSAL-UHFFFAOYSA-N 2 2 374.489 0.623 20 0 FCADLP CCOC(=O)N1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000883371042 1210664555 /nfs/dbraw/zinc/66/45/55/1210664555.db2.gz XSSOTGJREHIQQL-SFHVURJKSA-N 2 2 368.522 0.994 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](C[NH2+]C)C3)CC2)cc1 ZINC000883639727 1210677545 /nfs/dbraw/zinc/67/75/45/1210677545.db2.gz XELVVKRKUUJMOK-LJQANCHMSA-N 2 2 372.513 0.961 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)CC1 ZINC000883647610 1210679430 /nfs/dbraw/zinc/67/94/30/1210679430.db2.gz ZBZBZRABPVWXQW-KRWDZBQOSA-N 2 2 360.458 0.332 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884205781 1210722555 /nfs/dbraw/zinc/72/25/55/1210722555.db2.gz FZZJPQCUXKKUDS-IRXDYDNUSA-N 2 2 360.506 0.938 20 0 FCADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000884678156 1210778653 /nfs/dbraw/zinc/77/86/53/1210778653.db2.gz QBDVMVZRXNVTHP-QGZVFWFLSA-N 2 2 367.453 0.683 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000884703779 1210783439 /nfs/dbraw/zinc/78/34/39/1210783439.db2.gz KIERZVMYBUKFBF-WBVHZDCISA-N 2 2 362.474 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000884703779 1210783440 /nfs/dbraw/zinc/78/34/40/1210783440.db2.gz KIERZVMYBUKFBF-WBVHZDCISA-N 2 2 362.474 0.166 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884715757 1210785685 /nfs/dbraw/zinc/78/56/85/1210785685.db2.gz DFJYDQYSKAIZKD-SJORKVTESA-N 2 2 355.442 0.999 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884717465 1210787814 /nfs/dbraw/zinc/78/78/14/1210787814.db2.gz BSHSRUXWBOOPGL-DJIMGWMZSA-N 2 2 355.442 0.855 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc(C)[nH+]1 ZINC000884727204 1210790304 /nfs/dbraw/zinc/79/03/04/1210790304.db2.gz OHKRIMOXODDZSG-INIZCTEOSA-N 2 2 360.458 0.590 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000884984322 1210807435 /nfs/dbraw/zinc/80/74/35/1210807435.db2.gz WKHZVUYCPDTCOB-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000884984322 1210807436 /nfs/dbraw/zinc/80/74/36/1210807436.db2.gz WKHZVUYCPDTCOB-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000885020025 1210809178 /nfs/dbraw/zinc/80/91/78/1210809178.db2.gz DCDBZSAVYQOOBT-QZTJIDSGSA-N 2 2 374.485 0.119 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000885020025 1210809180 /nfs/dbraw/zinc/80/91/80/1210809180.db2.gz DCDBZSAVYQOOBT-QZTJIDSGSA-N 2 2 374.485 0.119 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154212 1225242237 /nfs/dbraw/zinc/24/22/37/1225242237.db2.gz HBJLBAIFOUGPHR-JQHSSLGASA-N 2 2 361.490 0.965 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154212 1225242240 /nfs/dbraw/zinc/24/22/40/1225242240.db2.gz HBJLBAIFOUGPHR-JQHSSLGASA-N 2 2 361.490 0.965 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000885285075 1210817045 /nfs/dbraw/zinc/81/70/45/1210817045.db2.gz LZHVPITWQMZFOQ-RDBSUJKOSA-N 2 2 369.416 0.654 20 0 FCADLP O=C1C[C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)CN1CC[NH+]1CCOCC1 ZINC000885993018 1210822677 /nfs/dbraw/zinc/82/26/77/1210822677.db2.gz WMIGQZMBMNAHCJ-IAGOWNOFSA-N 2 2 367.490 0.237 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000886935209 1210840088 /nfs/dbraw/zinc/84/00/88/1210840088.db2.gz BSVBASNIORBZPA-ZDUSSCGKSA-N 2 2 372.420 0.582 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000887130910 1210848873 /nfs/dbraw/zinc/84/88/73/1210848873.db2.gz NGLBJJUELQCAIJ-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000887130910 1210848874 /nfs/dbraw/zinc/84/88/74/1210848874.db2.gz NGLBJJUELQCAIJ-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154345 1225243565 /nfs/dbraw/zinc/24/35/65/1225243565.db2.gz MMSUSENOOCJMSH-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154345 1225243570 /nfs/dbraw/zinc/24/35/70/1225243570.db2.gz MMSUSENOOCJMSH-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP COC(=O)Cn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000887554623 1210865381 /nfs/dbraw/zinc/86/53/81/1210865381.db2.gz WLMAXNUVFSIWOZ-SJPCQFCGSA-N 2 2 362.478 0.194 20 0 FCADLP COC(=O)Cn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000887554623 1210865383 /nfs/dbraw/zinc/86/53/83/1210865383.db2.gz WLMAXNUVFSIWOZ-SJPCQFCGSA-N 2 2 362.478 0.194 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221161261 1225246943 /nfs/dbraw/zinc/24/69/43/1225246943.db2.gz DGRSHSLBTGODQI-SQNIBIBYSA-N 2 2 364.490 0.766 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001221161261 1225246945 /nfs/dbraw/zinc/24/69/45/1225246945.db2.gz DGRSHSLBTGODQI-SQNIBIBYSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887925251 1210920223 /nfs/dbraw/zinc/92/02/23/1210920223.db2.gz GWMLVSFKRFTBPM-ZSZQSSIHSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925251 1210920226 /nfs/dbraw/zinc/92/02/26/1210920226.db2.gz GWMLVSFKRFTBPM-ZSZQSSIHSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887925251 1210920230 /nfs/dbraw/zinc/92/02/30/1210920230.db2.gz GWMLVSFKRFTBPM-ZSZQSSIHSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925251 1210920236 /nfs/dbraw/zinc/92/02/36/1210920236.db2.gz GWMLVSFKRFTBPM-ZSZQSSIHSA-N 2 2 361.490 0.893 20 0 FCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065134 1210962992 /nfs/dbraw/zinc/96/29/92/1210962992.db2.gz AQJWLPCXZVRUIJ-LSDHHAIUSA-N 2 2 369.510 0.931 20 0 FCADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065134 1210962993 /nfs/dbraw/zinc/96/29/93/1210962993.db2.gz AQJWLPCXZVRUIJ-LSDHHAIUSA-N 2 2 369.510 0.931 20 0 FCADLP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065134 1210962995 /nfs/dbraw/zinc/96/29/95/1210962995.db2.gz AQJWLPCXZVRUIJ-LSDHHAIUSA-N 2 2 369.510 0.931 20 0 FCADLP CC[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000890065134 1210962996 /nfs/dbraw/zinc/96/29/96/1210962996.db2.gz AQJWLPCXZVRUIJ-LSDHHAIUSA-N 2 2 369.510 0.931 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001110877676 1211007290 /nfs/dbraw/zinc/00/72/90/1211007290.db2.gz YWAUMVBHDYMRRN-FPCVCCKLSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001110877676 1211007292 /nfs/dbraw/zinc/00/72/92/1211007292.db2.gz YWAUMVBHDYMRRN-FPCVCCKLSA-N 2 2 355.446 0.774 20 0 FCADLP CCC[C@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275081424 1211174071 /nfs/dbraw/zinc/17/40/71/1211174071.db2.gz GQLFASYWIBHKQR-SFHVURJKSA-N 2 2 366.550 0.973 20 0 FCADLP COC(=O)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275130985 1211177386 /nfs/dbraw/zinc/17/73/86/1211177386.db2.gz QLAUWZLXPMQJAY-GOSISDBHSA-N 2 2 362.430 0.677 20 0 FCADLP COC(=O)CCC[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275130985 1211177391 /nfs/dbraw/zinc/17/73/91/1211177391.db2.gz QLAUWZLXPMQJAY-GOSISDBHSA-N 2 2 362.430 0.677 20 0 FCADLP O=C1CC[C@H](C[N@@H+]2CCC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149222 1211181450 /nfs/dbraw/zinc/18/14/50/1211181450.db2.gz VCVSIEQDTWBWJH-APWZRJJASA-N 2 2 359.474 0.866 20 0 FCADLP O=C1CC[C@H](C[N@H+]2CCC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149222 1211181453 /nfs/dbraw/zinc/18/14/53/1211181453.db2.gz VCVSIEQDTWBWJH-APWZRJJASA-N 2 2 359.474 0.866 20 0 FCADLP Cn1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001275362918 1211222660 /nfs/dbraw/zinc/22/26/60/1211222660.db2.gz OEAQTZHVCBTTRF-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1ccc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001275362918 1211222661 /nfs/dbraw/zinc/22/26/61/1211222661.db2.gz OEAQTZHVCBTTRF-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnco2)CC1 ZINC001275372519 1211225453 /nfs/dbraw/zinc/22/54/53/1211225453.db2.gz FVOZCWLJUIVJBS-QZTJIDSGSA-N 2 2 361.490 0.877 20 0 FCADLP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnco2)CC1 ZINC001275372519 1211225455 /nfs/dbraw/zinc/22/54/55/1211225455.db2.gz FVOZCWLJUIVJBS-QZTJIDSGSA-N 2 2 361.490 0.877 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnco2)CC1 ZINC001275372519 1211225458 /nfs/dbraw/zinc/22/54/58/1211225458.db2.gz FVOZCWLJUIVJBS-QZTJIDSGSA-N 2 2 361.490 0.877 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnco2)CC1 ZINC001275372519 1211225465 /nfs/dbraw/zinc/22/54/65/1211225465.db2.gz FVOZCWLJUIVJBS-QZTJIDSGSA-N 2 2 361.490 0.877 20 0 FCADLP Cc1[nH]c2ncccc2c1C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275387292 1211228563 /nfs/dbraw/zinc/22/85/63/1211228563.db2.gz CCGSGHPHRIUCOW-UHFFFAOYSA-N 2 2 357.458 0.846 20 0 FCADLP COC(CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2)OC ZINC001275443631 1211238434 /nfs/dbraw/zinc/23/84/34/1211238434.db2.gz SBLDCGDNUDKUCZ-GOSISDBHSA-N 2 2 364.446 0.164 20 0 FCADLP COC(CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2)OC ZINC001275443631 1211238435 /nfs/dbraw/zinc/23/84/35/1211238435.db2.gz SBLDCGDNUDKUCZ-GOSISDBHSA-N 2 2 364.446 0.164 20 0 FCADLP CCOC(=O)c1n[nH]cc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001275555992 1211255795 /nfs/dbraw/zinc/25/57/95/1211255795.db2.gz GJGBWZOJSVUAPC-HUUCEWRRSA-N 2 2 363.462 0.713 20 0 FCADLP CCOC(=O)c1n[nH]cc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001275555992 1211255798 /nfs/dbraw/zinc/25/57/98/1211255798.db2.gz GJGBWZOJSVUAPC-HUUCEWRRSA-N 2 2 363.462 0.713 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555411 1211256074 /nfs/dbraw/zinc/25/60/74/1211256074.db2.gz AGRIHARKOITJPE-DOPJRALCSA-N 2 2 373.444 0.712 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555411 1211256075 /nfs/dbraw/zinc/25/60/75/1211256075.db2.gz AGRIHARKOITJPE-DOPJRALCSA-N 2 2 373.444 0.712 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)cc1 ZINC001275650918 1211268513 /nfs/dbraw/zinc/26/85/13/1211268513.db2.gz KYVBTIUFDZXSDK-UHFFFAOYSA-N 2 2 361.442 0.448 20 0 FCADLP Cc1c(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cnn1C ZINC001275727463 1211275571 /nfs/dbraw/zinc/27/55/71/1211275571.db2.gz NIUHDMLDSFCHMZ-GOSISDBHSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1c(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cnn1C ZINC001275727463 1211275572 /nfs/dbraw/zinc/27/55/72/1211275572.db2.gz NIUHDMLDSFCHMZ-GOSISDBHSA-N 2 2 358.446 0.429 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cn[nH]c2)C1 ZINC001275817158 1211290051 /nfs/dbraw/zinc/29/00/51/1211290051.db2.gz HJBBXAHDFPFOIA-HRCADAONSA-N 2 2 361.446 0.080 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cn[nH]c2)C1 ZINC001275817158 1211290053 /nfs/dbraw/zinc/29/00/53/1211290053.db2.gz HJBBXAHDFPFOIA-HRCADAONSA-N 2 2 361.446 0.080 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)C1 ZINC001275817158 1211290055 /nfs/dbraw/zinc/29/00/55/1211290055.db2.gz HJBBXAHDFPFOIA-HRCADAONSA-N 2 2 361.446 0.080 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)C1 ZINC001275817158 1211290058 /nfs/dbraw/zinc/29/00/58/1211290058.db2.gz HJBBXAHDFPFOIA-HRCADAONSA-N 2 2 361.446 0.080 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](Cc3ccncn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275842198 1211295850 /nfs/dbraw/zinc/29/58/50/1211295850.db2.gz BELNGWDSACAVLP-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](Cc3ccncn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275842198 1211295854 /nfs/dbraw/zinc/29/58/54/1211295854.db2.gz BELNGWDSACAVLP-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CC3CC[NH+](CC)CC3)C[C@@]2(F)C1=O ZINC001275879393 1211304490 /nfs/dbraw/zinc/30/44/90/1211304490.db2.gz OHBJQEFXRHVKKI-FHLIZLRMSA-N 2 2 372.460 0.557 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CC3CC[NH+](CC)CC3)C[C@@]2(F)C1=O ZINC001275879393 1211304492 /nfs/dbraw/zinc/30/44/92/1211304492.db2.gz OHBJQEFXRHVKKI-FHLIZLRMSA-N 2 2 372.460 0.557 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccnnc3)C2)C1=O ZINC001276039582 1211336446 /nfs/dbraw/zinc/33/64/46/1211336446.db2.gz BVVCPUDVWNIMNI-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccnnc3)C2)C1=O ZINC001276039582 1211336449 /nfs/dbraw/zinc/33/64/49/1211336449.db2.gz BVVCPUDVWNIMNI-SFHVURJKSA-N 2 2 354.414 0.751 20 0 FCADLP Nc1ncc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)cn1 ZINC001276089064 1211350412 /nfs/dbraw/zinc/35/04/12/1211350412.db2.gz GZKYVHYKBQAIBH-SFHVURJKSA-N 2 2 355.446 0.913 20 0 FCADLP Nc1ncc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)cn1 ZINC001276089064 1211350415 /nfs/dbraw/zinc/35/04/15/1211350415.db2.gz GZKYVHYKBQAIBH-SFHVURJKSA-N 2 2 355.446 0.913 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1CC1CCOCC1 ZINC000373073747 1211362433 /nfs/dbraw/zinc/36/24/33/1211362433.db2.gz GWPSWQYFXHGOBU-UHFFFAOYSA-N 2 2 365.526 0.558 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1CC1CCOCC1 ZINC000373073747 1211362435 /nfs/dbraw/zinc/36/24/35/1211362435.db2.gz GWPSWQYFXHGOBU-UHFFFAOYSA-N 2 2 365.526 0.558 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001095529037 1211396326 /nfs/dbraw/zinc/39/63/26/1211396326.db2.gz AWUHBAKYSCLVPQ-RANZSIQMSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001095529037 1211396330 /nfs/dbraw/zinc/39/63/30/1211396330.db2.gz AWUHBAKYSCLVPQ-RANZSIQMSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)C1 ZINC001095529037 1211396332 /nfs/dbraw/zinc/39/63/32/1211396332.db2.gz AWUHBAKYSCLVPQ-RANZSIQMSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)C1 ZINC001095529037 1211396335 /nfs/dbraw/zinc/39/63/35/1211396335.db2.gz AWUHBAKYSCLVPQ-RANZSIQMSA-N 2 2 362.518 0.964 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531441 1211398241 /nfs/dbraw/zinc/39/82/41/1211398241.db2.gz FHZBBGQXWRTZNM-LTIDMASMSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531441 1211398245 /nfs/dbraw/zinc/39/82/45/1211398245.db2.gz FHZBBGQXWRTZNM-LTIDMASMSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001095531441 1211398248 /nfs/dbraw/zinc/39/82/48/1211398248.db2.gz FHZBBGQXWRTZNM-LTIDMASMSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001095531441 1211398251 /nfs/dbraw/zinc/39/82/51/1211398251.db2.gz FHZBBGQXWRTZNM-LTIDMASMSA-N 2 2 364.490 0.097 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)NC1CC1 ZINC001095694911 1211450039 /nfs/dbraw/zinc/45/00/39/1211450039.db2.gz DVEUEMPBGJDOJY-PVAVHDDUSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)NC1CC1 ZINC001095694911 1211450041 /nfs/dbraw/zinc/45/00/41/1211450041.db2.gz DVEUEMPBGJDOJY-PVAVHDDUSA-N 2 2 353.426 0.948 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](OC)C2)CC[N@@H+]1C ZINC000946979178 1211465072 /nfs/dbraw/zinc/46/50/72/1211465072.db2.gz OHUXKUKECYQMFT-ZJIFWQFVSA-N 2 2 363.462 0.025 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](OC)C2)CC[N@H+]1C ZINC000946979178 1211465076 /nfs/dbraw/zinc/46/50/76/1211465076.db2.gz OHUXKUKECYQMFT-ZJIFWQFVSA-N 2 2 363.462 0.025 20 0 FCADLP COc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)cc1OC ZINC000925568751 1211502487 /nfs/dbraw/zinc/50/24/87/1211502487.db2.gz LVXSAGJVBHZKIA-MRXNPFEDSA-N 2 2 363.458 0.886 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567753 1211502995 /nfs/dbraw/zinc/50/29/95/1211502995.db2.gz SNJOSKZCDPKYQS-RYUDHWBXSA-N 2 2 373.379 0.694 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567753 1211503001 /nfs/dbraw/zinc/50/30/01/1211503001.db2.gz SNJOSKZCDPKYQS-RYUDHWBXSA-N 2 2 373.379 0.694 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000925593451 1211503363 /nfs/dbraw/zinc/50/33/63/1211503363.db2.gz ARYQBFTWFBZLCB-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000925593451 1211503366 /nfs/dbraw/zinc/50/33/66/1211503366.db2.gz ARYQBFTWFBZLCB-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP CCN1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975775 1211512220 /nfs/dbraw/zinc/51/22/20/1211512220.db2.gz IOHLNFSFVAKBOJ-IRXDYDNUSA-N 2 2 365.522 0.807 20 0 FCADLP CCN1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975775 1211512228 /nfs/dbraw/zinc/51/22/28/1211512228.db2.gz IOHLNFSFVAKBOJ-IRXDYDNUSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941350 1211598333 /nfs/dbraw/zinc/59/83/33/1211598333.db2.gz ZCIMUYQLXBUENR-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941350 1211598337 /nfs/dbraw/zinc/59/83/37/1211598337.db2.gz ZCIMUYQLXBUENR-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941350 1211598338 /nfs/dbraw/zinc/59/83/38/1211598338.db2.gz ZCIMUYQLXBUENR-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941350 1211598340 /nfs/dbraw/zinc/59/83/40/1211598340.db2.gz ZCIMUYQLXBUENR-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000928642967 1211607915 /nfs/dbraw/zinc/60/79/15/1211607915.db2.gz XLFPKELMKMQLCX-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000928642967 1211607916 /nfs/dbraw/zinc/60/79/16/1211607916.db2.gz XLFPKELMKMQLCX-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110959755 1211615337 /nfs/dbraw/zinc/61/53/37/1211615337.db2.gz ZZUSJQRGESSDQB-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110959755 1211615339 /nfs/dbraw/zinc/61/53/39/1211615339.db2.gz ZZUSJQRGESSDQB-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403628 1211636487 /nfs/dbraw/zinc/63/64/87/1211636487.db2.gz RMPLDJBPSKFPJS-ROUUACIJSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403628 1211636489 /nfs/dbraw/zinc/63/64/89/1211636489.db2.gz RMPLDJBPSKFPJS-ROUUACIJSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000929403628 1211636490 /nfs/dbraw/zinc/63/64/90/1211636490.db2.gz RMPLDJBPSKFPJS-ROUUACIJSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000929403628 1211636492 /nfs/dbraw/zinc/63/64/92/1211636492.db2.gz RMPLDJBPSKFPJS-ROUUACIJSA-N 2 2 358.486 0.760 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110981295 1211684028 /nfs/dbraw/zinc/68/40/28/1211684028.db2.gz OBCALAGMHMEIOY-ZACQAIPSSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001110981295 1211684037 /nfs/dbraw/zinc/68/40/37/1211684037.db2.gz OBCALAGMHMEIOY-ZACQAIPSSA-N 2 2 362.518 0.964 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110992238 1211708900 /nfs/dbraw/zinc/70/89/00/1211708900.db2.gz TXXNBNBDCKESSH-XLMAVXFVSA-N 2 2 368.522 0.447 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110992238 1211708901 /nfs/dbraw/zinc/70/89/01/1211708901.db2.gz TXXNBNBDCKESSH-XLMAVXFVSA-N 2 2 368.522 0.447 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@H]21 ZINC000931280645 1211749023 /nfs/dbraw/zinc/74/90/23/1211749023.db2.gz HKJVNCRYLBVVPP-NHAGDIPZSA-N 2 2 363.462 0.154 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@H]21 ZINC000931280645 1211749025 /nfs/dbraw/zinc/74/90/25/1211749025.db2.gz HKJVNCRYLBVVPP-NHAGDIPZSA-N 2 2 363.462 0.154 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000931663612 1211770126 /nfs/dbraw/zinc/77/01/26/1211770126.db2.gz SZJHGVKXCMSMNB-SFHVURJKSA-N 2 2 358.486 0.753 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCNC1=O ZINC001111030907 1211807677 /nfs/dbraw/zinc/80/76/77/1211807677.db2.gz JSGQEVKSLLEBBT-AKHDSKFASA-N 2 2 370.497 0.771 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H]1CCNC1=O ZINC001111030907 1211807679 /nfs/dbraw/zinc/80/76/79/1211807679.db2.gz JSGQEVKSLLEBBT-AKHDSKFASA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001111030907 1211807680 /nfs/dbraw/zinc/80/76/80/1211807680.db2.gz JSGQEVKSLLEBBT-AKHDSKFASA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001111030907 1211807681 /nfs/dbraw/zinc/80/76/81/1211807681.db2.gz JSGQEVKSLLEBBT-AKHDSKFASA-N 2 2 370.497 0.771 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932694985 1211817160 /nfs/dbraw/zinc/81/71/60/1211817160.db2.gz IDNPFKAMKKYEFP-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932694985 1211817164 /nfs/dbraw/zinc/81/71/64/1211817164.db2.gz IDNPFKAMKKYEFP-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)n1cc[nH+]c1 ZINC001111078226 1211865456 /nfs/dbraw/zinc/86/54/56/1211865456.db2.gz PDVQUUQDIHGSAY-JJXSEGSLSA-N 2 2 360.462 0.581 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)n1cc[nH+]c1 ZINC001111078226 1211865458 /nfs/dbraw/zinc/86/54/58/1211865458.db2.gz PDVQUUQDIHGSAY-JJXSEGSLSA-N 2 2 360.462 0.581 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000935819284 1211884591 /nfs/dbraw/zinc/88/45/91/1211884591.db2.gz RLUUSEODIDCSJC-SJORKVTESA-N 2 2 368.522 0.008 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000935819284 1211884592 /nfs/dbraw/zinc/88/45/92/1211884592.db2.gz RLUUSEODIDCSJC-SJORKVTESA-N 2 2 368.522 0.008 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001111161718 1211906855 /nfs/dbraw/zinc/90/68/55/1211906855.db2.gz YNYDDVRSJWADCS-KFWWJZLASA-N 2 2 367.494 0.415 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111161718 1211906861 /nfs/dbraw/zinc/90/68/61/1211906861.db2.gz YNYDDVRSJWADCS-KFWWJZLASA-N 2 2 367.494 0.415 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111161718 1211906864 /nfs/dbraw/zinc/90/68/64/1211906864.db2.gz YNYDDVRSJWADCS-KFWWJZLASA-N 2 2 367.494 0.415 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111169358 1211909830 /nfs/dbraw/zinc/90/98/30/1211909830.db2.gz PNGSODMMFIZUNK-OAGGEKHMSA-N 2 2 372.473 0.586 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111169358 1211909833 /nfs/dbraw/zinc/90/98/33/1211909833.db2.gz PNGSODMMFIZUNK-OAGGEKHMSA-N 2 2 372.473 0.586 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001111228692 1211934686 /nfs/dbraw/zinc/93/46/86/1211934686.db2.gz NLFGWYJNCGILBB-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001111228692 1211934691 /nfs/dbraw/zinc/93/46/91/1211934691.db2.gz NLFGWYJNCGILBB-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001111228692 1211934696 /nfs/dbraw/zinc/93/46/96/1211934696.db2.gz NLFGWYJNCGILBB-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001111228692 1211934698 /nfs/dbraw/zinc/93/46/98/1211934698.db2.gz NLFGWYJNCGILBB-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741200 1211953796 /nfs/dbraw/zinc/95/37/96/1211953796.db2.gz WRXHGABUHORYEN-KBMXLJTQSA-N 2 2 354.414 0.348 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741200 1211953802 /nfs/dbraw/zinc/95/38/02/1211953802.db2.gz WRXHGABUHORYEN-KBMXLJTQSA-N 2 2 354.414 0.348 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000947972804 1212107968 /nfs/dbraw/zinc/10/79/68/1212107968.db2.gz YODNWEIWLDBNHH-DAXOMENPSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000947972804 1212107971 /nfs/dbraw/zinc/10/79/71/1212107971.db2.gz YODNWEIWLDBNHH-DAXOMENPSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000948417791 1212171708 /nfs/dbraw/zinc/17/17/08/1212171708.db2.gz IIYUJFCHLDVJHI-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000948417791 1212171710 /nfs/dbraw/zinc/17/17/10/1212171710.db2.gz IIYUJFCHLDVJHI-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000948417791 1212171719 /nfs/dbraw/zinc/17/17/19/1212171719.db2.gz IIYUJFCHLDVJHI-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000948417791 1212171723 /nfs/dbraw/zinc/17/17/23/1212171723.db2.gz IIYUJFCHLDVJHI-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000948466813 1212185087 /nfs/dbraw/zinc/18/50/87/1212185087.db2.gz IZAKFTDQQJXEEL-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000948466813 1212185092 /nfs/dbraw/zinc/18/50/92/1212185092.db2.gz IZAKFTDQQJXEEL-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511210 1225346664 /nfs/dbraw/zinc/34/66/64/1225346664.db2.gz SXSAEBUGLXGURX-HUUCEWRRSA-N 2 2 362.478 0.583 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511210 1225346669 /nfs/dbraw/zinc/34/66/69/1225346669.db2.gz SXSAEBUGLXGURX-HUUCEWRRSA-N 2 2 362.478 0.583 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274900 1212193936 /nfs/dbraw/zinc/19/39/36/1212193936.db2.gz MUDGXWNTTJNGDL-BMFZPTHFSA-N 2 2 362.478 0.392 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274900 1212193942 /nfs/dbraw/zinc/19/39/42/1212193942.db2.gz MUDGXWNTTJNGDL-BMFZPTHFSA-N 2 2 362.478 0.392 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542723 1212197009 /nfs/dbraw/zinc/19/70/09/1212197009.db2.gz UERMWEUBWNNCRS-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542723 1212197012 /nfs/dbraw/zinc/19/70/12/1212197012.db2.gz UERMWEUBWNNCRS-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542723 1212197016 /nfs/dbraw/zinc/19/70/16/1212197016.db2.gz UERMWEUBWNNCRS-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542723 1212197022 /nfs/dbraw/zinc/19/70/22/1212197022.db2.gz UERMWEUBWNNCRS-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969028028 1212234558 /nfs/dbraw/zinc/23/45/58/1212234558.db2.gz OXURZEMMVQMQNE-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000969028028 1212234562 /nfs/dbraw/zinc/23/45/62/1212234562.db2.gz OXURZEMMVQMQNE-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000948769947 1212235572 /nfs/dbraw/zinc/23/55/72/1212235572.db2.gz NCBNEWLWODOLRU-VNQPRFMTSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)O1 ZINC000969072052 1212254904 /nfs/dbraw/zinc/25/49/04/1212254904.db2.gz UTTUZTGJEOPRQE-RBSFLKMASA-N 2 2 362.478 0.024 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc4n3CCCC4)C2)O1 ZINC000969072052 1212254909 /nfs/dbraw/zinc/25/49/09/1212254909.db2.gz UTTUZTGJEOPRQE-RBSFLKMASA-N 2 2 362.478 0.024 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000949214183 1212327400 /nfs/dbraw/zinc/32/74/00/1212327400.db2.gz NMYQQYKRAULOSF-FRFSOERESA-N 2 2 370.457 0.614 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000949223104 1212331396 /nfs/dbraw/zinc/33/13/96/1212331396.db2.gz GFELAAVVLZYVTB-GDBMZVCRSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000949223104 1212331403 /nfs/dbraw/zinc/33/14/03/1212331403.db2.gz GFELAAVVLZYVTB-GDBMZVCRSA-N 2 2 361.490 0.956 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370164 1212364426 /nfs/dbraw/zinc/36/44/26/1212364426.db2.gz LVVZUUNQRUZNGV-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370164 1212364431 /nfs/dbraw/zinc/36/44/31/1212364431.db2.gz LVVZUUNQRUZNGV-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000949370164 1212364435 /nfs/dbraw/zinc/36/44/35/1212364435.db2.gz LVVZUUNQRUZNGV-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000949370164 1212364441 /nfs/dbraw/zinc/36/44/41/1212364441.db2.gz LVVZUUNQRUZNGV-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)C[NH+](CC(=O)N(C)C)CCO3)CC[N@@H+]1C ZINC000949370526 1212364677 /nfs/dbraw/zinc/36/46/77/1212364677.db2.gz WNCYFHAJNDHOLV-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)C[NH+](CC(=O)N(C)C)CCO3)CC[N@H+]1C ZINC000949370526 1212364684 /nfs/dbraw/zinc/36/46/84/1212364684.db2.gz WNCYFHAJNDHOLV-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)C[N@H+](CC(=O)N(C)C)CCO3)CC[NH+]1C ZINC000949370526 1212364690 /nfs/dbraw/zinc/36/46/90/1212364690.db2.gz WNCYFHAJNDHOLV-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC2)C[N@@H+](CC(=O)N(C)C)CCO3)CC[NH+]1C ZINC000949370526 1212364695 /nfs/dbraw/zinc/36/46/95/1212364695.db2.gz WNCYFHAJNDHOLV-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+]([C@@H](C)C(N)=O)CCO3)CC[N@@H+]1C ZINC000949370467 1212364887 /nfs/dbraw/zinc/36/48/87/1212364887.db2.gz TZLHBZAYXJVGKF-HRCADAONSA-N 2 2 366.506 0.284 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[NH+]([C@@H](C)C(N)=O)CCO3)CC[N@H+]1C ZINC000949370467 1212364889 /nfs/dbraw/zinc/36/48/89/1212364889.db2.gz TZLHBZAYXJVGKF-HRCADAONSA-N 2 2 366.506 0.284 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@@H+]([C@@H](C)C(N)=O)CCO3)CC[NH+]1C ZINC000949370467 1212364897 /nfs/dbraw/zinc/36/48/97/1212364897.db2.gz TZLHBZAYXJVGKF-HRCADAONSA-N 2 2 366.506 0.284 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)C[N@H+]([C@@H](C)C(N)=O)CCO3)CC[NH+]1C ZINC000949370467 1212364900 /nfs/dbraw/zinc/36/49/00/1212364900.db2.gz TZLHBZAYXJVGKF-HRCADAONSA-N 2 2 366.506 0.284 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555767 1225365498 /nfs/dbraw/zinc/36/54/98/1225365498.db2.gz XVROAZXDVOZHMF-FGTMMUONSA-N 2 2 362.518 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555767 1225365502 /nfs/dbraw/zinc/36/55/02/1225365502.db2.gz XVROAZXDVOZHMF-FGTMMUONSA-N 2 2 362.518 0.777 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298707 1212493657 /nfs/dbraw/zinc/49/36/57/1212493657.db2.gz MSAYJTNKHOSVQN-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298707 1212493659 /nfs/dbraw/zinc/49/36/59/1212493659.db2.gz MSAYJTNKHOSVQN-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000779341668 1212517684 /nfs/dbraw/zinc/51/76/84/1212517684.db2.gz PBVDSBMISPLBTH-BPQIPLTHSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000779341668 1212517691 /nfs/dbraw/zinc/51/76/91/1212517691.db2.gz PBVDSBMISPLBTH-BPQIPLTHSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000950372870 1212563670 /nfs/dbraw/zinc/56/36/70/1212563670.db2.gz PIKFXLVJOYWUAQ-KBRIMQKVSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000950372870 1212563672 /nfs/dbraw/zinc/56/36/72/1212563672.db2.gz PIKFXLVJOYWUAQ-KBRIMQKVSA-N 2 2 359.474 0.647 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221588043 1225382314 /nfs/dbraw/zinc/38/23/14/1225382314.db2.gz QVGOFFUWWWJDHP-IXDOHACOSA-N 2 2 368.497 0.725 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221588043 1225382323 /nfs/dbraw/zinc/38/23/23/1225382323.db2.gz QVGOFFUWWWJDHP-IXDOHACOSA-N 2 2 368.497 0.725 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950606249 1212605321 /nfs/dbraw/zinc/60/53/21/1212605321.db2.gz VAIIYGWIVYPRNT-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)CC[N@@H+]1C ZINC001014439909 1213954072 /nfs/dbraw/zinc/95/40/72/1213954072.db2.gz XUYXONUDENRAMU-CUYVQJCZSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)CC[N@H+]1C ZINC001014439909 1213954077 /nfs/dbraw/zinc/95/40/77/1213954077.db2.gz XUYXONUDENRAMU-CUYVQJCZSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)C1 ZINC001015722313 1213992279 /nfs/dbraw/zinc/99/22/79/1213992279.db2.gz YXYUJYOUJQJJNJ-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001015722313 1213992287 /nfs/dbraw/zinc/99/22/87/1213992287.db2.gz YXYUJYOUJQJJNJ-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP O=C(N[C@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001016672221 1214028555 /nfs/dbraw/zinc/02/85/55/1214028555.db2.gz VIYQZQKDEYLWHM-FMKPAKJESA-N 2 2 355.446 0.776 20 0 FCADLP O=C(N[C@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001016672221 1214028564 /nfs/dbraw/zinc/02/85/64/1214028564.db2.gz VIYQZQKDEYLWHM-FMKPAKJESA-N 2 2 355.446 0.776 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016677876 1214031459 /nfs/dbraw/zinc/03/14/59/1214031459.db2.gz OPECLYLXGMIZLA-NEXFUWMNSA-N 2 2 357.458 0.715 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016677876 1214031465 /nfs/dbraw/zinc/03/14/65/1214031465.db2.gz OPECLYLXGMIZLA-NEXFUWMNSA-N 2 2 357.458 0.715 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001016679566 1214033185 /nfs/dbraw/zinc/03/31/85/1214033185.db2.gz LREBEUBSLFXDTH-PRLABOORSA-N 2 2 363.462 0.016 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001016679566 1214033194 /nfs/dbraw/zinc/03/31/94/1214033194.db2.gz LREBEUBSLFXDTH-PRLABOORSA-N 2 2 363.462 0.016 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001095931967 1214149596 /nfs/dbraw/zinc/14/95/96/1214149596.db2.gz XIFRFUYGOXNQNI-PMPSAXMXSA-N 2 2 358.446 0.968 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001095931967 1214149602 /nfs/dbraw/zinc/14/96/02/1214149602.db2.gz XIFRFUYGOXNQNI-PMPSAXMXSA-N 2 2 358.446 0.968 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001095931740 1214149706 /nfs/dbraw/zinc/14/97/06/1214149706.db2.gz MZBOJHDOTDQFJF-CBBWQLFWSA-N 2 2 374.441 0.482 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001095931740 1214149712 /nfs/dbraw/zinc/14/97/12/1214149712.db2.gz MZBOJHDOTDQFJF-CBBWQLFWSA-N 2 2 374.441 0.482 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001018365965 1214157627 /nfs/dbraw/zinc/15/76/27/1214157627.db2.gz AEUCGGATZOJJMF-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001018365965 1214157633 /nfs/dbraw/zinc/15/76/33/1214157633.db2.gz AEUCGGATZOJJMF-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000961377001 1214173051 /nfs/dbraw/zinc/17/30/51/1214173051.db2.gz VDQWJLVAFNXIFX-ARFHVFGLSA-N 2 2 359.474 0.949 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000961377001 1214173055 /nfs/dbraw/zinc/17/30/55/1214173055.db2.gz VDQWJLVAFNXIFX-ARFHVFGLSA-N 2 2 359.474 0.949 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc4c(o3)CCCC4)C2)O1 ZINC001019032203 1214183632 /nfs/dbraw/zinc/18/36/32/1214183632.db2.gz LJXALIGBPVFRMC-JKIFEVAISA-N 2 2 362.474 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc4c(o3)CCCC4)C2)O1 ZINC001019032203 1214183638 /nfs/dbraw/zinc/18/36/38/1214183638.db2.gz LJXALIGBPVFRMC-JKIFEVAISA-N 2 2 362.474 0.963 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)C3)CC[N@@H+]1C ZINC001019071619 1214191460 /nfs/dbraw/zinc/19/14/60/1214191460.db2.gz SFUCGFACZPGVIZ-LSDHHAIUSA-N 2 2 359.474 0.743 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)C3)CC[N@H+]1C ZINC001019071619 1214191464 /nfs/dbraw/zinc/19/14/64/1214191464.db2.gz SFUCGFACZPGVIZ-LSDHHAIUSA-N 2 2 359.474 0.743 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001020287623 1214328513 /nfs/dbraw/zinc/32/85/13/1214328513.db2.gz CPSWZSAMLSWCAW-KBUPBQIOSA-N 2 2 364.494 0.394 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001020287623 1214328521 /nfs/dbraw/zinc/32/85/21/1214328521.db2.gz CPSWZSAMLSWCAW-KBUPBQIOSA-N 2 2 364.494 0.394 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020364937 1214342887 /nfs/dbraw/zinc/34/28/87/1214342887.db2.gz WUKBQWTXRKBJHY-YJNKXOJESA-N 2 2 357.458 0.715 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020364937 1214342892 /nfs/dbraw/zinc/34/28/92/1214342892.db2.gz WUKBQWTXRKBJHY-YJNKXOJESA-N 2 2 357.458 0.715 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3noc(C4CC4)n3)C2)O1 ZINC000961988313 1214393049 /nfs/dbraw/zinc/39/30/49/1214393049.db2.gz HAJQGBYQUNCKKF-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3noc(C4CC4)n3)C2)O1 ZINC000961988313 1214393054 /nfs/dbraw/zinc/39/30/54/1214393054.db2.gz HAJQGBYQUNCKKF-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP CC(C)c1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000961987704 1214393151 /nfs/dbraw/zinc/39/31/51/1214393151.db2.gz CIYVSLAWXFBOGW-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000961989993 1214394251 /nfs/dbraw/zinc/39/42/51/1214394251.db2.gz IMXQNTJCNPHMSH-XSCHDIRWSA-N 2 2 364.494 0.632 20 0 FCADLP CC(C)c1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000961989993 1214394257 /nfs/dbraw/zinc/39/42/57/1214394257.db2.gz IMXQNTJCNPHMSH-XSCHDIRWSA-N 2 2 364.494 0.632 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039618054 1214411910 /nfs/dbraw/zinc/41/19/10/1214411910.db2.gz CWGOSHDRIKXYFB-PMPSAXMXSA-N 2 2 370.461 0.725 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039618054 1214411913 /nfs/dbraw/zinc/41/19/13/1214411913.db2.gz CWGOSHDRIKXYFB-PMPSAXMXSA-N 2 2 370.461 0.725 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039621640 1214416402 /nfs/dbraw/zinc/41/64/02/1214416402.db2.gz OLKFGXLGGIVEJX-OAGGEKHMSA-N 2 2 370.461 0.582 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039621640 1214416406 /nfs/dbraw/zinc/41/64/06/1214416406.db2.gz OLKFGXLGGIVEJX-OAGGEKHMSA-N 2 2 370.461 0.582 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622297 1214418238 /nfs/dbraw/zinc/41/82/38/1214418238.db2.gz RTCVJANYEWIVHA-IMJJTQAJSA-N 2 2 370.461 0.725 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622297 1214418242 /nfs/dbraw/zinc/41/82/42/1214418242.db2.gz RTCVJANYEWIVHA-IMJJTQAJSA-N 2 2 370.461 0.725 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)[nH+]1 ZINC001040273402 1214490938 /nfs/dbraw/zinc/49/09/38/1214490938.db2.gz DQGRIYLLTWFSNF-OSRDXIQISA-N 2 2 361.494 0.988 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)[nH+]1 ZINC001040273402 1214490942 /nfs/dbraw/zinc/49/09/42/1214490942.db2.gz DQGRIYLLTWFSNF-OSRDXIQISA-N 2 2 361.494 0.988 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001041104374 1214703313 /nfs/dbraw/zinc/70/33/13/1214703313.db2.gz ZLBWXIZFZZNZFH-ARFHVFGLSA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001041104374 1214703317 /nfs/dbraw/zinc/70/33/17/1214703317.db2.gz ZLBWXIZFZZNZFH-ARFHVFGLSA-N 2 2 361.490 0.916 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221950595 1225548987 /nfs/dbraw/zinc/54/89/87/1225548987.db2.gz OZFSVVLGXHLQCD-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221950595 1225548990 /nfs/dbraw/zinc/54/89/90/1225548990.db2.gz OZFSVVLGXHLQCD-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221950595 1225548992 /nfs/dbraw/zinc/54/89/92/1225548992.db2.gz OZFSVVLGXHLQCD-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221950595 1225548994 /nfs/dbraw/zinc/54/89/94/1225548994.db2.gz OZFSVVLGXHLQCD-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP COc1ccnc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c1 ZINC001221947059 1225546966 /nfs/dbraw/zinc/54/69/66/1225546966.db2.gz PRBZKCFTXZRVKV-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccnc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c1 ZINC001221947059 1225546968 /nfs/dbraw/zinc/54/69/68/1225546968.db2.gz PRBZKCFTXZRVKV-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948315 1225547373 /nfs/dbraw/zinc/54/73/73/1225547373.db2.gz QIGJBXSVGPFQJS-IAGOWNOFSA-N 2 2 360.502 0.483 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948315 1225547376 /nfs/dbraw/zinc/54/73/76/1225547376.db2.gz QIGJBXSVGPFQJS-IAGOWNOFSA-N 2 2 360.502 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC[N@@H+]1C ZINC000963757079 1214843674 /nfs/dbraw/zinc/84/36/74/1214843674.db2.gz DODJCRLTUSCDLT-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC[N@H+]1C ZINC000963757079 1214843675 /nfs/dbraw/zinc/84/36/75/1214843675.db2.gz DODJCRLTUSCDLT-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000964214033 1214916687 /nfs/dbraw/zinc/91/66/87/1214916687.db2.gz QXHUJVZKDPEJMH-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000964214033 1214916689 /nfs/dbraw/zinc/91/66/89/1214916689.db2.gz QXHUJVZKDPEJMH-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000964214033 1214916694 /nfs/dbraw/zinc/91/66/94/1214916694.db2.gz QXHUJVZKDPEJMH-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000964214033 1214916698 /nfs/dbraw/zinc/91/66/98/1214916698.db2.gz QXHUJVZKDPEJMH-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)cn1 ZINC001098013598 1215925432 /nfs/dbraw/zinc/92/54/32/1215925432.db2.gz WXFMHFUTYBKMHA-ZACQAIPSSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)cn1 ZINC001098013598 1215925435 /nfs/dbraw/zinc/92/54/35/1215925435.db2.gz WXFMHFUTYBKMHA-ZACQAIPSSA-N 2 2 374.489 0.058 20 0 FCADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001056464534 1215974576 /nfs/dbraw/zinc/97/45/76/1215974576.db2.gz ZEISCLYMQLCDCI-AUMBKBSLSA-N 2 2 359.474 0.672 20 0 FCADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001056464534 1215974583 /nfs/dbraw/zinc/97/45/83/1215974583.db2.gz ZEISCLYMQLCDCI-AUMBKBSLSA-N 2 2 359.474 0.672 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001000246719 1216027148 /nfs/dbraw/zinc/02/71/48/1216027148.db2.gz PHJOIQCJVHLTEO-FVQBIDKESA-N 2 2 357.462 0.916 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)C1 ZINC001000477272 1216068939 /nfs/dbraw/zinc/06/89/39/1216068939.db2.gz PWUGZWSNSNKKFS-JHNDHUHGSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)C1 ZINC001000477272 1216068944 /nfs/dbraw/zinc/06/89/44/1216068944.db2.gz PWUGZWSNSNKKFS-JHNDHUHGSA-N 2 2 359.474 0.553 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001000485153 1216069899 /nfs/dbraw/zinc/06/98/99/1216069899.db2.gz CLAJGQDTXDWQOE-PVAVHDDUSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001000485153 1216069901 /nfs/dbraw/zinc/06/99/01/1216069901.db2.gz CLAJGQDTXDWQOE-PVAVHDDUSA-N 2 2 373.501 0.943 20 0 FCADLP O=C(NCC1=CC[N@H+](C[C@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001000809953 1216115724 /nfs/dbraw/zinc/11/57/24/1216115724.db2.gz DWLVXCKRDCTPDY-GVDBMIGSSA-N 2 2 370.457 0.519 20 0 FCADLP O=C(NCC1=CC[N@@H+](C[C@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001000809953 1216115727 /nfs/dbraw/zinc/11/57/27/1216115727.db2.gz DWLVXCKRDCTPDY-GVDBMIGSSA-N 2 2 370.457 0.519 20 0 FCADLP O=C(NCC1=CC[N@H+](C[C@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001000809953 1216115729 /nfs/dbraw/zinc/11/57/29/1216115729.db2.gz DWLVXCKRDCTPDY-GVDBMIGSSA-N 2 2 370.457 0.519 20 0 FCADLP O=C(NCC1=CC[N@@H+](C[C@H](O)Cn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001000809953 1216115732 /nfs/dbraw/zinc/11/57/32/1216115732.db2.gz DWLVXCKRDCTPDY-GVDBMIGSSA-N 2 2 370.457 0.519 20 0 FCADLP CCc1noc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001534249 1216238065 /nfs/dbraw/zinc/23/80/65/1216238065.db2.gz VNXWYAUONYJMDX-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001534249 1216238079 /nfs/dbraw/zinc/23/80/79/1216238079.db2.gz VNXWYAUONYJMDX-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC001057248225 1216275756 /nfs/dbraw/zinc/27/57/56/1216275756.db2.gz CKFKFQHNVBJMJA-ZIAGYGMSSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC001057248225 1216275761 /nfs/dbraw/zinc/27/57/61/1216275761.db2.gz CKFKFQHNVBJMJA-ZIAGYGMSSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccn(C)n2)CC3)O1 ZINC001050565019 1216335855 /nfs/dbraw/zinc/33/58/55/1216335855.db2.gz VRQYCJIREOVORB-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccn(C)n2)CC3)O1 ZINC001050565019 1216335862 /nfs/dbraw/zinc/33/58/62/1216335862.db2.gz VRQYCJIREOVORB-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP Cc1nnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)CC2)o1 ZINC001050564075 1216336563 /nfs/dbraw/zinc/33/65/63/1216336563.db2.gz PSFAYGDTSIWSGY-UKRRQHHQSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)CC2)o1 ZINC001050564075 1216336573 /nfs/dbraw/zinc/33/65/73/1216336573.db2.gz PSFAYGDTSIWSGY-UKRRQHHQSA-N 2 2 363.462 0.522 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001050669515 1216347346 /nfs/dbraw/zinc/34/73/46/1216347346.db2.gz GJPWWGLMBWTKIQ-KFWWJZLASA-N 2 2 359.474 0.712 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001051145836 1216408347 /nfs/dbraw/zinc/40/83/47/1216408347.db2.gz PEVRBTYWZIWJPB-ANQUJSFKSA-N 2 2 372.517 0.888 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001051145836 1216408351 /nfs/dbraw/zinc/40/83/51/1216408351.db2.gz PEVRBTYWZIWJPB-ANQUJSFKSA-N 2 2 372.517 0.888 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001051145836 1216408355 /nfs/dbraw/zinc/40/83/55/1216408355.db2.gz PEVRBTYWZIWJPB-ANQUJSFKSA-N 2 2 372.517 0.888 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001051145836 1216408359 /nfs/dbraw/zinc/40/83/59/1216408359.db2.gz PEVRBTYWZIWJPB-ANQUJSFKSA-N 2 2 372.517 0.888 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959218 1225670257 /nfs/dbraw/zinc/67/02/57/1225670257.db2.gz QLIHWECZZBVLIL-WCXIOVBPSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959218 1225670262 /nfs/dbraw/zinc/67/02/62/1225670262.db2.gz QLIHWECZZBVLIL-WCXIOVBPSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959218 1225670266 /nfs/dbraw/zinc/67/02/66/1225670266.db2.gz QLIHWECZZBVLIL-WCXIOVBPSA-N 2 2 366.506 0.155 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001222968102 1225670798 /nfs/dbraw/zinc/67/07/98/1225670798.db2.gz HNSJYQVTRFFYBY-CVEARBPZSA-N 2 2 361.490 0.986 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001222968102 1225670801 /nfs/dbraw/zinc/67/08/01/1225670801.db2.gz HNSJYQVTRFFYBY-CVEARBPZSA-N 2 2 361.490 0.986 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCO2)n1 ZINC001051623903 1216468542 /nfs/dbraw/zinc/46/85/42/1216468542.db2.gz KIPGZVNCSOXUDA-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCO2)n1 ZINC001051623903 1216468548 /nfs/dbraw/zinc/46/85/48/1216468548.db2.gz KIPGZVNCSOXUDA-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834419 1216484318 /nfs/dbraw/zinc/48/43/18/1216484318.db2.gz MZKJWDXPKJYADL-ARFHVFGLSA-N 2 2 358.446 0.274 20 0 FCADLP Cc1nocc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834392 1216484402 /nfs/dbraw/zinc/48/44/02/1216484402.db2.gz MEFCYCVUNPKONV-BZUAXINKSA-N 2 2 359.430 0.837 20 0 FCADLP Cc1nccnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834427 1216484918 /nfs/dbraw/zinc/48/49/18/1216484918.db2.gz NCWPTROWIQWBOM-ARFHVFGLSA-N 2 2 370.457 0.639 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)cn1 ZINC001051834769 1216486177 /nfs/dbraw/zinc/48/61/77/1216486177.db2.gz WUXKBOJTKZVFSI-BRWVUGGUSA-N 2 2 370.457 0.639 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(Cc4cnon4)CC3)C2)CC[N@@H+]1C ZINC001052031211 1216491362 /nfs/dbraw/zinc/49/13/62/1216491362.db2.gz HIWQVBTXBGYDDI-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(Cc4cnon4)CC3)C2)CC[N@H+]1C ZINC001052031211 1216491368 /nfs/dbraw/zinc/49/13/68/1216491368.db2.gz HIWQVBTXBGYDDI-HYVNUMGLSA-N 2 2 362.478 0.128 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413274 1216596356 /nfs/dbraw/zinc/59/63/56/1216596356.db2.gz BSVRJLLHWWEENL-CHWSQXEVSA-N 2 2 372.477 0.254 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413274 1216596364 /nfs/dbraw/zinc/59/63/64/1216596364.db2.gz BSVRJLLHWWEENL-CHWSQXEVSA-N 2 2 372.477 0.254 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001058258236 1216659811 /nfs/dbraw/zinc/65/98/11/1216659811.db2.gz QCAHQHMFWBESDA-HZSPNIEDSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001058258236 1216659816 /nfs/dbraw/zinc/65/98/16/1216659816.db2.gz QCAHQHMFWBESDA-HZSPNIEDSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)CC[N@@H+]1C ZINC001068207799 1216724380 /nfs/dbraw/zinc/72/43/80/1216724380.db2.gz XYMOVWCEASMVGJ-DFMBRWPFSA-N 2 2 369.473 0.502 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)CC[N@H+]1C ZINC001068207799 1216724386 /nfs/dbraw/zinc/72/43/86/1216724386.db2.gz XYMOVWCEASMVGJ-DFMBRWPFSA-N 2 2 369.473 0.502 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902142 1216827056 /nfs/dbraw/zinc/82/70/56/1216827056.db2.gz IZFPMGRAXLVOJS-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902142 1216827061 /nfs/dbraw/zinc/82/70/61/1216827061.db2.gz IZFPMGRAXLVOJS-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902142 1216827062 /nfs/dbraw/zinc/82/70/62/1216827062.db2.gz IZFPMGRAXLVOJS-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902142 1216827066 /nfs/dbraw/zinc/82/70/66/1216827066.db2.gz IZFPMGRAXLVOJS-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902294 1216827639 /nfs/dbraw/zinc/82/76/39/1216827639.db2.gz QAPRNECTUZRHNO-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902294 1216827643 /nfs/dbraw/zinc/82/76/43/1216827643.db2.gz QAPRNECTUZRHNO-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902294 1216827644 /nfs/dbraw/zinc/82/76/44/1216827644.db2.gz QAPRNECTUZRHNO-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902294 1216827646 /nfs/dbraw/zinc/82/76/46/1216827646.db2.gz QAPRNECTUZRHNO-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001069962423 1216869484 /nfs/dbraw/zinc/86/94/84/1216869484.db2.gz VLXJLHQILAILGK-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001069962423 1216869486 /nfs/dbraw/zinc/86/94/86/1216869486.db2.gz VLXJLHQILAILGK-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001069962406 1216869629 /nfs/dbraw/zinc/86/96/29/1216869629.db2.gz UESULRDLZLPMBN-XHSDSOJGSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001069962406 1216869630 /nfs/dbraw/zinc/86/96/30/1216869630.db2.gz UESULRDLZLPMBN-XHSDSOJGSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001069964171 1216871255 /nfs/dbraw/zinc/87/12/55/1216871255.db2.gz YWMYJIBBLPDHFL-XHSDSOJGSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001069964171 1216871257 /nfs/dbraw/zinc/87/12/57/1216871257.db2.gz YWMYJIBBLPDHFL-XHSDSOJGSA-N 2 2 355.446 0.489 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC1 ZINC001070015254 1216898070 /nfs/dbraw/zinc/89/80/70/1216898070.db2.gz NWJPORYBRQYFFP-MSOLQXFVSA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC1 ZINC001070015254 1216898073 /nfs/dbraw/zinc/89/80/73/1216898073.db2.gz NWJPORYBRQYFFP-MSOLQXFVSA-N 2 2 369.473 0.557 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)n1 ZINC001223388139 1225702019 /nfs/dbraw/zinc/70/20/19/1225702019.db2.gz XVUSYUFCWABKPV-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)n1 ZINC001223388139 1225702023 /nfs/dbraw/zinc/70/20/23/1225702023.db2.gz XVUSYUFCWABKPV-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)nc(C2CC2)[nH+]1 ZINC001041344512 1217289053 /nfs/dbraw/zinc/28/90/53/1217289053.db2.gz WDHYLEYIJLZMJI-NUEKZKHPSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nc(C2CC2)[nH+]1 ZINC001041344512 1217289056 /nfs/dbraw/zinc/28/90/56/1217289056.db2.gz WDHYLEYIJLZMJI-NUEKZKHPSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001041970579 1217373914 /nfs/dbraw/zinc/37/39/14/1217373914.db2.gz QIYUHSGORVOAEQ-CXAGYDPISA-N 2 2 369.473 0.611 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001041970579 1217373919 /nfs/dbraw/zinc/37/39/19/1217373919.db2.gz QIYUHSGORVOAEQ-CXAGYDPISA-N 2 2 369.473 0.611 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911592 1225745033 /nfs/dbraw/zinc/74/50/33/1225745033.db2.gz FREDGDJBLUCVPI-WBVHZDCISA-N 2 2 361.490 0.802 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911592 1225745039 /nfs/dbraw/zinc/74/50/39/1225745039.db2.gz FREDGDJBLUCVPI-WBVHZDCISA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001043094946 1217573676 /nfs/dbraw/zinc/57/36/76/1217573676.db2.gz FKBSRXSCYMUCIX-KBRIMQKVSA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001043094946 1217573680 /nfs/dbraw/zinc/57/36/80/1217573680.db2.gz FKBSRXSCYMUCIX-KBRIMQKVSA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043094946 1217573684 /nfs/dbraw/zinc/57/36/84/1217573684.db2.gz FKBSRXSCYMUCIX-KBRIMQKVSA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043094946 1217573688 /nfs/dbraw/zinc/57/36/88/1217573688.db2.gz FKBSRXSCYMUCIX-KBRIMQKVSA-N 2 2 358.490 0.818 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043727279 1217719817 /nfs/dbraw/zinc/71/98/17/1217719817.db2.gz MPNDXPSZBDOVKK-IXDOHACOSA-N 2 2 359.474 0.770 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043727279 1217719823 /nfs/dbraw/zinc/71/98/23/1217719823.db2.gz MPNDXPSZBDOVKK-IXDOHACOSA-N 2 2 359.474 0.770 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043727904 1217720269 /nfs/dbraw/zinc/72/02/69/1217720269.db2.gz RGPGKZDYEDQKPF-DLBZAZTESA-N 2 2 359.474 0.914 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044192207 1217815340 /nfs/dbraw/zinc/81/53/40/1217815340.db2.gz VTLRONPDLPSEPV-IKGGRYGDSA-N 2 2 361.490 0.940 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044192207 1217815342 /nfs/dbraw/zinc/81/53/42/1217815342.db2.gz VTLRONPDLPSEPV-IKGGRYGDSA-N 2 2 361.490 0.940 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224306123 1225771724 /nfs/dbraw/zinc/77/17/24/1225771724.db2.gz CEIHMMIIVOCCJV-CVEARBPZSA-N 2 2 362.478 0.514 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224306123 1225771730 /nfs/dbraw/zinc/77/17/30/1225771730.db2.gz CEIHMMIIVOCCJV-CVEARBPZSA-N 2 2 362.478 0.514 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001045043183 1217895765 /nfs/dbraw/zinc/89/57/65/1217895765.db2.gz BQHCHFHNALUBKW-QLFBSQMISA-N 2 2 363.510 0.849 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001045043183 1217895767 /nfs/dbraw/zinc/89/57/67/1217895767.db2.gz BQHCHFHNALUBKW-QLFBSQMISA-N 2 2 363.510 0.849 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH+](CCCO)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001045673725 1217948163 /nfs/dbraw/zinc/94/81/63/1217948163.db2.gz WRMCJHWQRNCJEG-ARFHVFGLSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH+](CCCO)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001045673725 1217948166 /nfs/dbraw/zinc/94/81/66/1217948166.db2.gz WRMCJHWQRNCJEG-ARFHVFGLSA-N 2 2 362.474 0.883 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2ccnn2C)O1 ZINC001045802722 1217961174 /nfs/dbraw/zinc/96/11/74/1217961174.db2.gz OBBNWUOWFLRGRE-XYVMCAHJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2ccnn2C)O1 ZINC001045802722 1217961178 /nfs/dbraw/zinc/96/11/78/1217961178.db2.gz OBBNWUOWFLRGRE-XYVMCAHJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccnn2C)O1 ZINC001045802722 1217961182 /nfs/dbraw/zinc/96/11/82/1217961182.db2.gz OBBNWUOWFLRGRE-XYVMCAHJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccnn2C)O1 ZINC001045802722 1217961185 /nfs/dbraw/zinc/96/11/85/1217961185.db2.gz OBBNWUOWFLRGRE-XYVMCAHJSA-N 2 2 361.490 0.705 20 0 FCADLP C[NH+](C)CCn1nccc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000900559924 1218005442 /nfs/dbraw/zinc/00/54/42/1218005442.db2.gz DVCZPMHDHTWWHL-UHFFFAOYSA-N 2 2 361.450 0.226 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224583181 1225785415 /nfs/dbraw/zinc/78/54/15/1225785415.db2.gz LGYNZAUCFPNOLO-HZPDHXFCSA-N 2 2 361.490 0.878 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420562 1218035537 /nfs/dbraw/zinc/03/55/37/1218035537.db2.gz GQUSMMLVGPBXGA-GPMSIDNRSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420562 1218035539 /nfs/dbraw/zinc/03/55/39/1218035539.db2.gz GQUSMMLVGPBXGA-GPMSIDNRSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420562 1218035540 /nfs/dbraw/zinc/03/55/40/1218035540.db2.gz GQUSMMLVGPBXGA-GPMSIDNRSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420562 1218035541 /nfs/dbraw/zinc/03/55/41/1218035541.db2.gz GQUSMMLVGPBXGA-GPMSIDNRSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900810783 1218040927 /nfs/dbraw/zinc/04/09/27/1218040927.db2.gz INXZSGHQGOREKX-IUODEOHRSA-N 2 2 359.478 0.587 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900810783 1218040930 /nfs/dbraw/zinc/04/09/30/1218040930.db2.gz INXZSGHQGOREKX-IUODEOHRSA-N 2 2 359.478 0.587 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842003 1218045355 /nfs/dbraw/zinc/04/53/55/1218045355.db2.gz GBEMIRSGEQUJNL-DLBZAZTESA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842003 1218045361 /nfs/dbraw/zinc/04/53/61/1218045361.db2.gz GBEMIRSGEQUJNL-DLBZAZTESA-N 2 2 367.490 0.442 20 0 FCADLP Cn1cc[nH+]c1N1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000901085337 1218077530 /nfs/dbraw/zinc/07/75/30/1218077530.db2.gz VINWFLKBWSTXQS-UHFFFAOYSA-N 2 2 361.490 0.960 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001047533148 1218157923 /nfs/dbraw/zinc/15/79/23/1218157923.db2.gz ZLHXBJDEYUZQPI-LMSBXDPUSA-N 2 2 362.474 0.596 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047533148 1218157926 /nfs/dbraw/zinc/15/79/26/1218157926.db2.gz ZLHXBJDEYUZQPI-LMSBXDPUSA-N 2 2 362.474 0.596 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(C)nn3)CC2)CC[N@@H+]1C ZINC001096308028 1218233653 /nfs/dbraw/zinc/23/36/53/1218233653.db2.gz VDHRXTZZFVOARH-DLBZAZTESA-N 2 2 360.506 0.754 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(C)nn3)CC2)CC[N@H+]1C ZINC001096308028 1218233654 /nfs/dbraw/zinc/23/36/54/1218233654.db2.gz VDHRXTZZFVOARH-DLBZAZTESA-N 2 2 360.506 0.754 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001096350228 1218259297 /nfs/dbraw/zinc/25/92/97/1218259297.db2.gz ZZWVHAPFAZZBSU-BSWAZPDLSA-N 2 2 359.474 0.693 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001096350228 1218259304 /nfs/dbraw/zinc/25/93/04/1218259304.db2.gz ZZWVHAPFAZZBSU-BSWAZPDLSA-N 2 2 359.474 0.693 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355124 1218262787 /nfs/dbraw/zinc/26/27/87/1218262787.db2.gz YZAUUELMDGKSCC-PMPSAXMXSA-N 2 2 358.490 0.924 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355124 1218262794 /nfs/dbraw/zinc/26/27/94/1218262794.db2.gz YZAUUELMDGKSCC-PMPSAXMXSA-N 2 2 358.490 0.924 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001048564981 1218290046 /nfs/dbraw/zinc/29/00/46/1218290046.db2.gz FAWWZMSOICRLOD-GGGWTEGZSA-N 2 2 371.485 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001048564981 1218290052 /nfs/dbraw/zinc/29/00/52/1218290052.db2.gz FAWWZMSOICRLOD-GGGWTEGZSA-N 2 2 371.485 0.771 20 0 FCADLP O=C(NC[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001048609829 1218296259 /nfs/dbraw/zinc/29/62/59/1218296259.db2.gz JTBJVCSVRWUZKV-OXGONZEZSA-N 2 2 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CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001097958418 1218954339 /nfs/dbraw/zinc/95/43/39/1218954339.db2.gz OWLWZKUDNBLDPO-APIJFGDWSA-N 2 2 373.457 0.533 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001097958418 1218954344 /nfs/dbraw/zinc/95/43/44/1218954344.db2.gz OWLWZKUDNBLDPO-APIJFGDWSA-N 2 2 373.457 0.533 20 0 FCADLP C[N@@H+]1CCc2ncnc(N3[C@@H]4CC[C@H]3[C@H](NC(=O)C[NH+]3CCCC3)C4)c2C1 ZINC001055343228 1219030378 /nfs/dbraw/zinc/03/03/78/1219030378.db2.gz AFTSACIFUOZSDS-OLMNPRSZSA-N 2 2 370.501 0.786 20 0 FCADLP C[N@H+]1CCc2ncnc(N3[C@@H]4CC[C@H]3[C@H](NC(=O)C[NH+]3CCCC3)C4)c2C1 ZINC001055343228 1219030381 /nfs/dbraw/zinc/03/03/81/1219030381.db2.gz AFTSACIFUOZSDS-OLMNPRSZSA-N 2 2 370.501 0.786 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055449308 1219050469 /nfs/dbraw/zinc/05/04/69/1219050469.db2.gz VVBMUNWOGMVWJH-XOUADPBQSA-N 2 2 369.473 0.931 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055449308 1219050473 /nfs/dbraw/zinc/05/04/73/1219050473.db2.gz VVBMUNWOGMVWJH-XOUADPBQSA-N 2 2 369.473 0.931 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1)NC1CC1 ZINC001227128213 1225864116 /nfs/dbraw/zinc/86/41/16/1225864116.db2.gz QGPRRFGUTYSJBO-KBRIMQKVSA-N 2 2 359.474 0.741 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](n3ccnn3)C2)c1 ZINC001070098647 1219170040 /nfs/dbraw/zinc/17/00/40/1219170040.db2.gz KOBBBKCOMUCDLV-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](n3ccnn3)C2)c1 ZINC001070098647 1219170044 /nfs/dbraw/zinc/17/00/44/1219170044.db2.gz KOBBBKCOMUCDLV-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)no1 ZINC001070158584 1219246011 /nfs/dbraw/zinc/24/60/11/1219246011.db2.gz QMRHAYTVITZHPA-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)no1 ZINC001070158584 1219246017 /nfs/dbraw/zinc/24/60/17/1219246017.db2.gz QMRHAYTVITZHPA-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001070194702 1219286504 /nfs/dbraw/zinc/28/65/04/1219286504.db2.gz JJRKRHQUIHMSSF-BBWFWOEESA-N 2 2 371.445 0.150 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001227673833 1225881538 /nfs/dbraw/zinc/88/15/38/1225881538.db2.gz UIYPLEVSMOCXEY-MGPQQGTHSA-N 2 2 361.446 0.175 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220026 1219301879 /nfs/dbraw/zinc/30/18/79/1219301879.db2.gz YDPCQMFXOPYALZ-OIISXLGYSA-N 2 2 355.446 0.489 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001070222009 1219303219 /nfs/dbraw/zinc/30/32/19/1219303219.db2.gz CALOAOMMOCEOBA-UAGQMJEPSA-N 2 2 357.462 0.735 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC)[C@@H](n2ccnn2)C1 ZINC001070241671 1219313622 /nfs/dbraw/zinc/31/36/22/1219313622.db2.gz SKLUSQKBCVHYBP-IXDOHACOSA-N 2 2 364.494 0.531 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC)[C@@H](n2ccnn2)C1 ZINC001070241671 1219313624 /nfs/dbraw/zinc/31/36/24/1219313624.db2.gz SKLUSQKBCVHYBP-IXDOHACOSA-N 2 2 364.494 0.531 20 0 FCADLP COc1cnc(C[N@@H+]2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001277240233 1225885630 /nfs/dbraw/zinc/88/56/30/1225885630.db2.gz XCDGXCRFJWKSPG-SFHVURJKSA-N 2 2 356.430 0.806 20 0 FCADLP COc1cnc(C[N@H+]2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001277240233 1225885634 /nfs/dbraw/zinc/88/56/34/1225885634.db2.gz XCDGXCRFJWKSPG-SFHVURJKSA-N 2 2 356.430 0.806 20 0 FCADLP COc1cnc(C[N@@H+]2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001277240232 1225885956 /nfs/dbraw/zinc/88/59/56/1225885956.db2.gz XCDGXCRFJWKSPG-GOSISDBHSA-N 2 2 356.430 0.806 20 0 FCADLP COc1cnc(C[N@H+]2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001277240232 1225885958 /nfs/dbraw/zinc/88/59/58/1225885958.db2.gz XCDGXCRFJWKSPG-GOSISDBHSA-N 2 2 356.430 0.806 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070303427 1219361969 /nfs/dbraw/zinc/36/19/69/1219361969.db2.gz WNMXJRPKOYFSKY-ZNMIVQPWSA-N 2 2 359.434 0.012 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839743 1225888256 /nfs/dbraw/zinc/88/82/56/1225888256.db2.gz GKEYPBQENIYGKV-GVDBMIGSSA-N 2 2 368.478 0.314 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070337561 1219385947 /nfs/dbraw/zinc/38/59/47/1219385947.db2.gz CUEHHJDIFQHECF-MSOLQXFVSA-N 2 2 365.441 0.759 20 0 FCADLP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2n2ccnn2)c1 ZINC001070337223 1219386273 /nfs/dbraw/zinc/38/62/73/1219386273.db2.gz TWDBIJNYFQIXEM-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC001070494861 1219438007 /nfs/dbraw/zinc/43/80/07/1219438007.db2.gz MWTZVVXVLGNOJN-JJAZEVLHSA-N 2 2 373.461 0.228 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC001070494861 1219438010 /nfs/dbraw/zinc/43/80/10/1219438010.db2.gz MWTZVVXVLGNOJN-JJAZEVLHSA-N 2 2 373.461 0.228 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001070558941 1219469733 /nfs/dbraw/zinc/46/97/33/1219469733.db2.gz ZBQZEGYSGKCVBD-JLJPHGGASA-N 2 2 360.462 0.051 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070565183 1219471479 /nfs/dbraw/zinc/47/14/79/1219471479.db2.gz IMOCGVSFQNDVMS-DOTOQJQBSA-N 2 2 369.473 0.390 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC12CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001277284864 1225902691 /nfs/dbraw/zinc/90/26/91/1225902691.db2.gz ZFFYSFQSNWNQSK-OAHLLOKOSA-N 2 2 356.430 0.797 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CC2CC2)CC1 ZINC001071001290 1219587543 /nfs/dbraw/zinc/58/75/43/1219587543.db2.gz QBSZHEQYTQFRET-HZPDHXFCSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001071001290 1219587544 /nfs/dbraw/zinc/58/75/44/1219587544.db2.gz QBSZHEQYTQFRET-HZPDHXFCSA-N 2 2 359.474 0.584 20 0 FCADLP CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267420 1219611951 /nfs/dbraw/zinc/61/19/51/1219611951.db2.gz IQYBGBWDKNFHDG-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267420 1219611955 /nfs/dbraw/zinc/61/19/55/1219611955.db2.gz IQYBGBWDKNFHDG-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267420 1219611958 /nfs/dbraw/zinc/61/19/58/1219611958.db2.gz IQYBGBWDKNFHDG-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267420 1219611961 /nfs/dbraw/zinc/61/19/61/1219611961.db2.gz IQYBGBWDKNFHDG-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071362486 1219614756 /nfs/dbraw/zinc/61/47/56/1219614756.db2.gz OUTOJHRCMANVAY-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001071362486 1219614760 /nfs/dbraw/zinc/61/47/60/1219614760.db2.gz OUTOJHRCMANVAY-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)nn1C ZINC001072851250 1219624963 /nfs/dbraw/zinc/62/49/63/1219624963.db2.gz OQMHKNFXRMLABL-NVXWUHKLSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)nn1C ZINC001072851250 1219624969 /nfs/dbraw/zinc/62/49/69/1219624969.db2.gz OQMHKNFXRMLABL-NVXWUHKLSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)nn1C ZINC001072851250 1219624970 /nfs/dbraw/zinc/62/49/70/1219624970.db2.gz OQMHKNFXRMLABL-NVXWUHKLSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)nn1C ZINC001072851250 1219624972 /nfs/dbraw/zinc/62/49/72/1219624972.db2.gz OQMHKNFXRMLABL-NVXWUHKLSA-N 2 2 361.490 0.482 20 0 FCADLP CCn1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001073610809 1219672979 /nfs/dbraw/zinc/67/29/79/1219672979.db2.gz FAJKQVOXEPRUOE-KBAYOESNSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[N@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001073610809 1219672980 /nfs/dbraw/zinc/67/29/80/1219672980.db2.gz FAJKQVOXEPRUOE-KBAYOESNSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001073610809 1219672981 /nfs/dbraw/zinc/67/29/81/1219672981.db2.gz FAJKQVOXEPRUOE-KBAYOESNSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001073610809 1219672983 /nfs/dbraw/zinc/67/29/83/1219672983.db2.gz FAJKQVOXEPRUOE-KBAYOESNSA-N 2 2 363.506 0.950 20 0 FCADLP Cc1cnc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001073610863 1219673178 /nfs/dbraw/zinc/67/31/78/1219673178.db2.gz GISYFMQLGRSRRM-KBAYOESNSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001073610863 1219673181 /nfs/dbraw/zinc/67/31/81/1219673181.db2.gz GISYFMQLGRSRRM-KBAYOESNSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073610863 1219673184 /nfs/dbraw/zinc/67/31/84/1219673184.db2.gz GISYFMQLGRSRRM-KBAYOESNSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001073610863 1219673185 /nfs/dbraw/zinc/67/31/85/1219673185.db2.gz GISYFMQLGRSRRM-KBAYOESNSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001073660615 1219676031 /nfs/dbraw/zinc/67/60/31/1219676031.db2.gz KFPAVBUUXCZAAV-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001073660615 1219676033 /nfs/dbraw/zinc/67/60/33/1219676033.db2.gz KFPAVBUUXCZAAV-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001073660615 1219676035 /nfs/dbraw/zinc/67/60/35/1219676035.db2.gz KFPAVBUUXCZAAV-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001073660615 1219676037 /nfs/dbraw/zinc/67/60/37/1219676037.db2.gz KFPAVBUUXCZAAV-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709567 1219678024 /nfs/dbraw/zinc/67/80/24/1219678024.db2.gz ZYVLQCYMPGIEBB-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709567 1219678028 /nfs/dbraw/zinc/67/80/28/1219678028.db2.gz ZYVLQCYMPGIEBB-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709471 1219717451 /nfs/dbraw/zinc/71/74/51/1219717451.db2.gz DLGGKNONOPYMLK-FXUDXRNXSA-N 2 2 364.494 0.657 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709471 1219717455 /nfs/dbraw/zinc/71/74/55/1219717455.db2.gz DLGGKNONOPYMLK-FXUDXRNXSA-N 2 2 364.494 0.657 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230584 1219744641 /nfs/dbraw/zinc/74/46/41/1219744641.db2.gz KOUAGCMRNRJEAE-SMKXDYDZSA-N 2 2 359.474 0.959 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230584 1219744645 /nfs/dbraw/zinc/74/46/45/1219744645.db2.gz KOUAGCMRNRJEAE-SMKXDYDZSA-N 2 2 359.474 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1ncnc2c1C[NH+](C)CC2 ZINC001098362935 1219766338 /nfs/dbraw/zinc/76/63/38/1219766338.db2.gz KKEFPIQVHQSWOX-WOSRLPQWSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1ncnc2c1C[NH+](C)CC2 ZINC001098362935 1219766340 /nfs/dbraw/zinc/76/63/40/1219766340.db2.gz KKEFPIQVHQSWOX-WOSRLPQWSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001098362935 1219766344 /nfs/dbraw/zinc/76/63/44/1219766344.db2.gz KKEFPIQVHQSWOX-WOSRLPQWSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001098362935 1219766347 /nfs/dbraw/zinc/76/63/47/1219766347.db2.gz KKEFPIQVHQSWOX-WOSRLPQWSA-N 2 2 362.478 0.100 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001098401807 1219774286 /nfs/dbraw/zinc/77/42/86/1219774286.db2.gz PXCGXCCCCYKJJM-ZJPYXAASSA-N 2 2 360.502 0.957 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001098401807 1219774289 /nfs/dbraw/zinc/77/42/89/1219774289.db2.gz PXCGXCCCCYKJJM-ZJPYXAASSA-N 2 2 360.502 0.957 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098771825 1219823278 /nfs/dbraw/zinc/82/32/78/1219823278.db2.gz AGIPCPLVCPCMQT-LNLFQRSKSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098771825 1219823282 /nfs/dbraw/zinc/82/32/82/1219823282.db2.gz AGIPCPLVCPCMQT-LNLFQRSKSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098771825 1219823283 /nfs/dbraw/zinc/82/32/83/1219823283.db2.gz AGIPCPLVCPCMQT-LNLFQRSKSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098771825 1219823285 /nfs/dbraw/zinc/82/32/85/1219823285.db2.gz AGIPCPLVCPCMQT-LNLFQRSKSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001098774381 1219824076 /nfs/dbraw/zinc/82/40/76/1219824076.db2.gz ZPDWPXJTILIXPP-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001098774381 1219824078 /nfs/dbraw/zinc/82/40/78/1219824078.db2.gz ZPDWPXJTILIXPP-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098774381 1219824080 /nfs/dbraw/zinc/82/40/80/1219824080.db2.gz ZPDWPXJTILIXPP-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098774381 1219824082 /nfs/dbraw/zinc/82/40/82/1219824082.db2.gz ZPDWPXJTILIXPP-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnn(C)c2)C3)O1 ZINC001098901624 1219856845 /nfs/dbraw/zinc/85/68/45/1219856845.db2.gz FDIUQBQUJNNKEQ-XZKMEQPCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnn(C)c2)C3)O1 ZINC001098901624 1219856848 /nfs/dbraw/zinc/85/68/48/1219856848.db2.gz FDIUQBQUJNNKEQ-XZKMEQPCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnn(C)c2)C3)O1 ZINC001098901624 1219856851 /nfs/dbraw/zinc/85/68/51/1219856851.db2.gz FDIUQBQUJNNKEQ-XZKMEQPCSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnn(C)c2)C3)O1 ZINC001098901624 1219856852 /nfs/dbraw/zinc/85/68/52/1219856852.db2.gz FDIUQBQUJNNKEQ-XZKMEQPCSA-N 2 2 361.490 0.610 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914137 1219861293 /nfs/dbraw/zinc/86/12/93/1219861293.db2.gz NBEVWWBMEPKVJF-VBHSOAQHSA-N 2 2 363.462 0.455 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914137 1219861296 /nfs/dbraw/zinc/86/12/96/1219861296.db2.gz NBEVWWBMEPKVJF-VBHSOAQHSA-N 2 2 363.462 0.455 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099159660 1219935074 /nfs/dbraw/zinc/93/50/74/1219935074.db2.gz HQCORTUEAJSPDZ-DEYYWGMASA-N 2 2 363.462 0.638 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099159660 1219935078 /nfs/dbraw/zinc/93/50/78/1219935078.db2.gz HQCORTUEAJSPDZ-DEYYWGMASA-N 2 2 363.462 0.638 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001099159660 1219935080 /nfs/dbraw/zinc/93/50/80/1219935080.db2.gz HQCORTUEAJSPDZ-DEYYWGMASA-N 2 2 363.462 0.638 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099159660 1219935082 /nfs/dbraw/zinc/93/50/82/1219935082.db2.gz HQCORTUEAJSPDZ-DEYYWGMASA-N 2 2 363.462 0.638 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001099183719 1219943420 /nfs/dbraw/zinc/94/34/20/1219943420.db2.gz QUGNIZVLLFTBOU-WMZOPIPTSA-N 2 2 357.462 0.762 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001099183719 1219943422 /nfs/dbraw/zinc/94/34/22/1219943422.db2.gz QUGNIZVLLFTBOU-WMZOPIPTSA-N 2 2 357.462 0.762 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001099519845 1220021936 /nfs/dbraw/zinc/02/19/36/1220021936.db2.gz LTMBYOOWCZYILO-DOXZYTNZSA-N 2 2 369.473 0.950 20 0 FCADLP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001099540789 1220027938 /nfs/dbraw/zinc/02/79/38/1220027938.db2.gz BNYZRKLEFDHQCW-YJBOKZPZSA-N 2 2 357.462 0.913 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214275 1220230631 /nfs/dbraw/zinc/23/06/31/1220230631.db2.gz VZMFGZYNGCRZNY-BEFAXECRSA-N 2 2 361.490 0.991 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214275 1220230635 /nfs/dbraw/zinc/23/06/35/1220230635.db2.gz VZMFGZYNGCRZNY-BEFAXECRSA-N 2 2 361.490 0.991 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)Cc2cc[nH+]c(N)c2)C3)CC1 ZINC001277331679 1225952911 /nfs/dbraw/zinc/95/29/11/1225952911.db2.gz ONXVVDRBJVNMAS-OAHLLOKOSA-N 2 2 357.458 0.265 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101281270 1220266248 /nfs/dbraw/zinc/26/62/48/1220266248.db2.gz KLTHTJNIUQWEGG-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101281270 1220266252 /nfs/dbraw/zinc/26/62/52/1220266252.db2.gz KLTHTJNIUQWEGG-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101351217 1220297221 /nfs/dbraw/zinc/29/72/21/1220297221.db2.gz YCWOTXFEZJRZSJ-KDOFPFPSSA-N 2 2 363.510 0.660 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C(C)(C)C)C[C@@]2(C)C1 ZINC001101351217 1220297223 /nfs/dbraw/zinc/29/72/23/1220297223.db2.gz YCWOTXFEZJRZSJ-KDOFPFPSSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101375557 1220308649 /nfs/dbraw/zinc/30/86/49/1220308649.db2.gz YNRHQKYOPQJFAC-SUMDDJOVSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101375557 1220308654 /nfs/dbraw/zinc/30/86/54/1220308654.db2.gz YNRHQKYOPQJFAC-SUMDDJOVSA-N 2 2 362.474 0.928 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404627 1220326158 /nfs/dbraw/zinc/32/61/58/1220326158.db2.gz IBZBSAPUONIDBK-KHYOSLBOSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404627 1220326163 /nfs/dbraw/zinc/32/61/63/1220326163.db2.gz IBZBSAPUONIDBK-KHYOSLBOSA-N 2 2 361.490 0.989 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404843 1220326444 /nfs/dbraw/zinc/32/64/44/1220326444.db2.gz VAVZPLZAXYHWSS-MDZRGWNJSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404843 1220326448 /nfs/dbraw/zinc/32/64/48/1220326448.db2.gz VAVZPLZAXYHWSS-MDZRGWNJSA-N 2 2 364.490 0.766 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101418190 1220332376 /nfs/dbraw/zinc/33/23/76/1220332376.db2.gz DPKDZWODCVXVAF-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101418190 1220332382 /nfs/dbraw/zinc/33/23/82/1220332382.db2.gz DPKDZWODCVXVAF-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101418190 1220332388 /nfs/dbraw/zinc/33/23/88/1220332388.db2.gz DPKDZWODCVXVAF-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101418190 1220332392 /nfs/dbraw/zinc/33/23/92/1220332392.db2.gz DPKDZWODCVXVAF-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032091 1220471283 /nfs/dbraw/zinc/47/12/83/1220471283.db2.gz PYDXTMSTOKUUKP-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032091 1220471284 /nfs/dbraw/zinc/47/12/84/1220471284.db2.gz PYDXTMSTOKUUKP-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032091 1220471285 /nfs/dbraw/zinc/47/12/85/1220471285.db2.gz PYDXTMSTOKUUKP-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032091 1220471286 /nfs/dbraw/zinc/47/12/86/1220471286.db2.gz PYDXTMSTOKUUKP-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001102088037 1220491866 /nfs/dbraw/zinc/49/18/66/1220491866.db2.gz IJLZQAVCQDAXNN-ZYHUDNBSSA-N 2 2 358.402 0.056 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001102088037 1220491871 /nfs/dbraw/zinc/49/18/71/1220491871.db2.gz IJLZQAVCQDAXNN-ZYHUDNBSSA-N 2 2 358.402 0.056 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102097793 1220495160 /nfs/dbraw/zinc/49/51/60/1220495160.db2.gz FSAIXMCZOATJGQ-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102097793 1220495161 /nfs/dbraw/zinc/49/51/61/1220495161.db2.gz FSAIXMCZOATJGQ-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)C2 ZINC001102105637 1220497856 /nfs/dbraw/zinc/49/78/56/1220497856.db2.gz YDCGRCMQYXHIMZ-FVQBIDKESA-N 2 2 364.490 0.516 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)C2 ZINC001102105637 1220497864 /nfs/dbraw/zinc/49/78/64/1220497864.db2.gz YDCGRCMQYXHIMZ-FVQBIDKESA-N 2 2 364.490 0.516 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)CC2 ZINC001102105637 1220497870 /nfs/dbraw/zinc/49/78/70/1220497870.db2.gz YDCGRCMQYXHIMZ-FVQBIDKESA-N 2 2 364.490 0.516 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)CC2 ZINC001102105637 1220497877 /nfs/dbraw/zinc/49/78/77/1220497877.db2.gz YDCGRCMQYXHIMZ-FVQBIDKESA-N 2 2 364.490 0.516 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109490 1220500216 /nfs/dbraw/zinc/50/02/16/1220500216.db2.gz MOAOLPAPVPNLTL-ZIAGYGMSSA-N 2 2 365.478 0.559 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109490 1220500220 /nfs/dbraw/zinc/50/02/20/1220500220.db2.gz MOAOLPAPVPNLTL-ZIAGYGMSSA-N 2 2 365.478 0.559 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nnnn3C3CC3)C[C@H]2C)C1 ZINC001102370145 1220596373 /nfs/dbraw/zinc/59/63/73/1220596373.db2.gz SFJQNTBDNFVANR-RBSFLKMASA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nnnn3C3CC3)C[C@H]2C)C1 ZINC001102370145 1220596379 /nfs/dbraw/zinc/59/63/79/1220596379.db2.gz SFJQNTBDNFVANR-RBSFLKMASA-N 2 2 361.494 0.534 20 0 FCADLP 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C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103517360 1220893909 /nfs/dbraw/zinc/89/39/09/1220893909.db2.gz KRCSPGDUDQYOSX-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574448 1220905175 /nfs/dbraw/zinc/90/51/75/1220905175.db2.gz QGSGWHWSAZIHQH-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574448 1220905178 /nfs/dbraw/zinc/90/51/78/1220905178.db2.gz QGSGWHWSAZIHQH-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)NC[C@@H]1CCOC1 ZINC001229327143 1226002426 /nfs/dbraw/zinc/00/24/26/1226002426.db2.gz KABPGKRFIACPJK-RRFJBIMHSA-N 2 2 363.462 0.122 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103642906 1220926636 /nfs/dbraw/zinc/92/66/36/1220926636.db2.gz APHBGXWQFVMPQO-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103642906 1220926640 /nfs/dbraw/zinc/92/66/40/1220926640.db2.gz APHBGXWQFVMPQO-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688163 1220940083 /nfs/dbraw/zinc/94/00/83/1220940083.db2.gz MRRPHQKHJBLFPB-HUUCEWRRSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688163 1220940086 /nfs/dbraw/zinc/94/00/86/1220940086.db2.gz MRRPHQKHJBLFPB-HUUCEWRRSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779104 1220971496 /nfs/dbraw/zinc/97/14/96/1220971496.db2.gz MFGARVUOVCECKR-OAGGEKHMSA-N 2 2 357.462 0.736 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779104 1220971502 /nfs/dbraw/zinc/97/15/02/1220971502.db2.gz MFGARVUOVCECKR-OAGGEKHMSA-N 2 2 357.462 0.736 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778919 1220971677 /nfs/dbraw/zinc/97/16/77/1220971677.db2.gz DCBFLOUTEPFEQW-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778919 1220971682 /nfs/dbraw/zinc/97/16/82/1220971682.db2.gz DCBFLOUTEPFEQW-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779682 1220972746 /nfs/dbraw/zinc/97/27/46/1220972746.db2.gz BHBCRTCAGXDKFW-KZNAEPCWSA-N 2 2 366.506 0.991 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779682 1220972750 /nfs/dbraw/zinc/97/27/50/1220972750.db2.gz BHBCRTCAGXDKFW-KZNAEPCWSA-N 2 2 366.506 0.991 20 0 FCADLP COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033832 1221001329 /nfs/dbraw/zinc/00/13/29/1221001329.db2.gz JABZINYNJFAHHY-FMKPAKJESA-N 2 2 366.462 0.588 20 0 FCADLP COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033832 1221001337 /nfs/dbraw/zinc/00/13/37/1221001337.db2.gz JABZINYNJFAHHY-FMKPAKJESA-N 2 2 366.462 0.588 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111787009 1221109225 /nfs/dbraw/zinc/10/92/25/1221109225.db2.gz WLRFXDZGHUILDN-OLMMMNRUSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111787009 1221109227 /nfs/dbraw/zinc/10/92/27/1221109227.db2.gz WLRFXDZGHUILDN-OLMMMNRUSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001111787009 1221109230 /nfs/dbraw/zinc/10/92/30/1221109230.db2.gz WLRFXDZGHUILDN-OLMMMNRUSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001111787009 1221109231 /nfs/dbraw/zinc/10/92/31/1221109231.db2.gz WLRFXDZGHUILDN-OLMMMNRUSA-N 2 2 366.506 0.201 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001111789972 1221111053 /nfs/dbraw/zinc/11/10/53/1221111053.db2.gz BKWWYHCTISSISU-VCBZYWHSSA-N 2 2 359.474 0.552 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001111789972 1221111056 /nfs/dbraw/zinc/11/10/56/1221111056.db2.gz BKWWYHCTISSISU-VCBZYWHSSA-N 2 2 359.474 0.552 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)n1 ZINC001111858280 1221140010 /nfs/dbraw/zinc/14/00/10/1221140010.db2.gz XHAUZCLGAOEZBM-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCC[NH+](C)C)C2)n1 ZINC001111858280 1221140011 /nfs/dbraw/zinc/14/00/11/1221140011.db2.gz XHAUZCLGAOEZBM-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939625 1221179526 /nfs/dbraw/zinc/17/95/26/1221179526.db2.gz JKPSTBAHOWAJLZ-VKJFTORMSA-N 2 2 364.494 0.425 20 0 FCADLP C[C@H](c1nncn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939625 1221179532 /nfs/dbraw/zinc/17/95/32/1221179532.db2.gz JKPSTBAHOWAJLZ-VKJFTORMSA-N 2 2 364.494 0.425 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1nnnn1C)C2 ZINC001111950831 1221182359 /nfs/dbraw/zinc/18/23/59/1221182359.db2.gz CRXWPNBHSUETKK-MPGHIAIKSA-N 2 2 363.510 0.974 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@@H](C)c1nnnn1C)C2 ZINC001111950831 1221182362 /nfs/dbraw/zinc/18/23/62/1221182362.db2.gz CRXWPNBHSUETKK-MPGHIAIKSA-N 2 2 363.510 0.974 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnnn1C)C2 ZINC001111950831 1221182365 /nfs/dbraw/zinc/18/23/65/1221182365.db2.gz CRXWPNBHSUETKK-MPGHIAIKSA-N 2 2 363.510 0.974 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnnn1C)C2 ZINC001111950831 1221182367 /nfs/dbraw/zinc/18/23/67/1221182367.db2.gz CRXWPNBHSUETKK-MPGHIAIKSA-N 2 2 363.510 0.974 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962686 1221187243 /nfs/dbraw/zinc/18/72/43/1221187243.db2.gz LWAVXUPPEOPBEW-KXBFYZLASA-N 2 2 361.490 0.848 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962686 1221187248 /nfs/dbraw/zinc/18/72/48/1221187248.db2.gz LWAVXUPPEOPBEW-KXBFYZLASA-N 2 2 361.490 0.848 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001112021451 1221202603 /nfs/dbraw/zinc/20/26/03/1221202603.db2.gz ODIOOBQDMFZDHL-KXBFYZLASA-N 2 2 359.474 0.865 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001112021451 1221202607 /nfs/dbraw/zinc/20/26/07/1221202607.db2.gz ODIOOBQDMFZDHL-KXBFYZLASA-N 2 2 359.474 0.865 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001112440582 1221259697 /nfs/dbraw/zinc/25/96/97/1221259697.db2.gz WNKKPKSJXSNHAV-DOXZYTNZSA-N 2 2 359.474 0.410 20 0 FCADLP Cn1cc([C@@H](O)CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001116146797 1221338454 /nfs/dbraw/zinc/33/84/54/1221338454.db2.gz RDHQMEURSQZXBD-KRWDZBQOSA-N 2 2 364.494 0.311 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001116802618 1221391853 /nfs/dbraw/zinc/39/18/53/1221391853.db2.gz YQZCNOWFYJMIAM-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001116802618 1221391858 /nfs/dbraw/zinc/39/18/58/1221391858.db2.gz YQZCNOWFYJMIAM-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061349 1221450570 /nfs/dbraw/zinc/45/05/70/1221450570.db2.gz ALNIFGCTMHYWIQ-QGZVFWFLSA-N 2 2 370.497 0.555 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061349 1221450577 /nfs/dbraw/zinc/45/05/77/1221450577.db2.gz ALNIFGCTMHYWIQ-QGZVFWFLSA-N 2 2 370.497 0.555 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001230018558 1226046051 /nfs/dbraw/zinc/04/60/51/1226046051.db2.gz CAKIMQGLBMSUEI-IAGOWNOFSA-N 2 2 361.490 0.896 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001230018647 1226046231 /nfs/dbraw/zinc/04/62/31/1226046231.db2.gz FHJKZMYVNWSPRL-IAGOWNOFSA-N 2 2 361.490 0.896 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001117326093 1221519894 /nfs/dbraw/zinc/51/98/94/1221519894.db2.gz OOZULPBXTXDPGH-HRCADAONSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC001117326093 1221519895 /nfs/dbraw/zinc/51/98/95/1221519895.db2.gz OOZULPBXTXDPGH-HRCADAONSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001117853767 1221631847 /nfs/dbraw/zinc/63/18/47/1221631847.db2.gz AIPXYEHTPZBCLC-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001117853767 1221631849 /nfs/dbraw/zinc/63/18/49/1221631849.db2.gz AIPXYEHTPZBCLC-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001118203158 1221732241 /nfs/dbraw/zinc/73/22/41/1221732241.db2.gz DJIIFTRQXXQEOQ-MRXNPFEDSA-N 2 2 354.458 0.657 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001118289181 1221752185 /nfs/dbraw/zinc/75/21/85/1221752185.db2.gz VPLUJBGIFZDEIM-HIFRSBDPSA-N 2 2 360.466 0.751 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001118289181 1221752187 /nfs/dbraw/zinc/75/21/87/1221752187.db2.gz VPLUJBGIFZDEIM-HIFRSBDPSA-N 2 2 360.466 0.751 20 0 FCADLP C[NH+](C)CC[C@@H](N)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC001118295885 1221753471 /nfs/dbraw/zinc/75/34/71/1221753471.db2.gz YXQMLZSJKDSKNZ-CQSZACIVSA-N 2 2 373.461 0.471 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1)c1nnnn1C ZINC001230344221 1226075385 /nfs/dbraw/zinc/07/53/85/1226075385.db2.gz JMBBTWFKPPCRPF-RBSFLKMASA-N 2 2 360.466 0.965 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001119427046 1221915876 /nfs/dbraw/zinc/91/58/76/1221915876.db2.gz CVJQFZRNIINKDX-WCXIOVBPSA-N 2 2 373.501 0.848 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)CN1CC[NH+]1CCOCC1 ZINC001120496266 1222095288 /nfs/dbraw/zinc/09/52/88/1222095288.db2.gz ZVUUBNANTVSKTJ-ZWKOTPCHSA-N 2 2 365.449 0.252 20 0 FCADLP CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791320 1222212156 /nfs/dbraw/zinc/21/21/56/1222212156.db2.gz LWINGFZYWXICFD-AGTUJZOGSA-N 2 2 359.474 0.677 20 0 FCADLP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001121928312 1222225560 /nfs/dbraw/zinc/22/55/60/1222225560.db2.gz MPVSZAKTELRDKD-FOIQADDNSA-N 2 2 360.502 0.795 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122009540 1222233652 /nfs/dbraw/zinc/23/36/52/1222233652.db2.gz TUARIFJIALKFKF-IBGZPJMESA-N 2 2 359.518 0.344 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122051253 1222237435 /nfs/dbraw/zinc/23/74/35/1222237435.db2.gz ZZTBMPYTSZKPGN-GOSISDBHSA-N 2 2 359.474 0.193 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770185 1226126445 /nfs/dbraw/zinc/12/64/45/1226126445.db2.gz QNAJMEQHULJMML-HOTGVXAUSA-N 2 2 355.442 0.043 20 0 FCADLP C[NH+](C)C1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000831511190 1222498596 /nfs/dbraw/zinc/49/85/96/1222498596.db2.gz NYNWXCQJZYXBGG-UHFFFAOYSA-N 2 2 359.474 0.587 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)CC[C@@H]21 ZINC001140470805 1222595500 /nfs/dbraw/zinc/59/55/00/1222595500.db2.gz WGTDUAYUQOXLMQ-YCPHGPKFSA-N 2 2 373.461 0.853 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)CC[C@@H]21 ZINC001140470805 1222595503 /nfs/dbraw/zinc/59/55/03/1222595503.db2.gz WGTDUAYUQOXLMQ-YCPHGPKFSA-N 2 2 373.461 0.853 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CC3C(=O)N=CNC3=O)CC[C@@H]21 ZINC001140470805 1222595506 /nfs/dbraw/zinc/59/55/06/1222595506.db2.gz WGTDUAYUQOXLMQ-YCPHGPKFSA-N 2 2 373.461 0.853 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC3C(=O)N=CNC3=O)CC[C@@H]21 ZINC001140470805 1222595508 /nfs/dbraw/zinc/59/55/08/1222595508.db2.gz WGTDUAYUQOXLMQ-YCPHGPKFSA-N 2 2 373.461 0.853 20 0 FCADLP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317105 1222621610 /nfs/dbraw/zinc/62/16/10/1222621610.db2.gz CMZQXVPTTZVVJZ-HOCLYGCPSA-N 2 2 367.494 0.637 20 0 FCADLP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317105 1222621611 /nfs/dbraw/zinc/62/16/11/1222621611.db2.gz CMZQXVPTTZVVJZ-HOCLYGCPSA-N 2 2 367.494 0.637 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCN1C(C)=O ZINC001140974945 1222626478 /nfs/dbraw/zinc/62/64/78/1222626478.db2.gz ABHSOWDWXVXVJF-IBGZPJMESA-N 2 2 374.485 0.644 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)CCN1C(C)=O ZINC001140974945 1222626480 /nfs/dbraw/zinc/62/64/80/1222626480.db2.gz ABHSOWDWXVXVJF-IBGZPJMESA-N 2 2 374.485 0.644 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475255 1222680709 /nfs/dbraw/zinc/68/07/09/1222680709.db2.gz BHGDTFFWJDQTPU-KURKYZTESA-N 2 2 366.506 0.792 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000838475255 1222680712 /nfs/dbraw/zinc/68/07/12/1222680712.db2.gz BHGDTFFWJDQTPU-KURKYZTESA-N 2 2 366.506 0.792 20 0 FCADLP COC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)Cc2nnn(C)c21 ZINC001232366304 1226148259 /nfs/dbraw/zinc/14/82/59/1226148259.db2.gz ZBMRXDJNFHPZSD-MRXNPFEDSA-N 2 2 371.489 0.708 20 0 FCADLP COC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)Cc2nnn(C)c21 ZINC001232366304 1226148260 /nfs/dbraw/zinc/14/82/60/1226148260.db2.gz ZBMRXDJNFHPZSD-MRXNPFEDSA-N 2 2 371.489 0.708 20 0 FCADLP C[NH+](C)CCCN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001232362461 1226148338 /nfs/dbraw/zinc/14/83/38/1226148338.db2.gz WBQVOQDYCSHBIG-UHFFFAOYSA-N 3 2 360.550 0.903 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@H+](C)C1 ZINC000840275650 1222782026 /nfs/dbraw/zinc/78/20/26/1222782026.db2.gz GROKTLLMZTUGHU-CQSZACIVSA-N 2 2 364.446 0.953 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@@H+](C)C1 ZINC000840275650 1222782031 /nfs/dbraw/zinc/78/20/31/1222782031.db2.gz GROKTLLMZTUGHU-CQSZACIVSA-N 2 2 364.446 0.953 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cn1 ZINC000841223421 1222814470 /nfs/dbraw/zinc/81/44/70/1222814470.db2.gz VNNIXYYJLKMBTM-OAHLLOKOSA-N 2 2 356.430 0.971 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000842057229 1222834172 /nfs/dbraw/zinc/83/41/72/1222834172.db2.gz HYWHIINGSZXYJU-INIZCTEOSA-N 2 2 355.442 0.947 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000842149009 1222837317 /nfs/dbraw/zinc/83/73/17/1222837317.db2.gz SDOFYNHPEKTJHB-KKUMJFAQSA-N 2 2 360.458 0.909 20 0 FCADLP CC[N@H+](Cc1cncc(OC)n1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998452 1222998537 /nfs/dbraw/zinc/99/85/37/1222998537.db2.gz RTJOAJVKSRHJJD-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[N@@H+](Cc1cncc(OC)n1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998452 1222998542 /nfs/dbraw/zinc/99/85/42/1222998542.db2.gz RTJOAJVKSRHJJD-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[NH+](Cc1cncc(OC)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998452 1222998553 /nfs/dbraw/zinc/99/85/53/1222998553.db2.gz RTJOAJVKSRHJJD-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP C[NH+]1CCN(c2ccc(N3CCN(c4[nH+]cccc4N)CC3)nn2)CC1 ZINC001154782583 1223018590 /nfs/dbraw/zinc/01/85/90/1223018590.db2.gz SZAUWXBWUGOJRX-UHFFFAOYSA-N 2 2 354.462 0.532 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]cn1 ZINC001155461352 1223035486 /nfs/dbraw/zinc/03/54/86/1223035486.db2.gz CLFWMFSERLZVAA-ZBFHGGJFSA-N 2 2 369.473 0.954 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc[nH+]1 ZINC001155461352 1223035492 /nfs/dbraw/zinc/03/54/92/1223035492.db2.gz CLFWMFSERLZVAA-ZBFHGGJFSA-N 2 2 369.473 0.954 20 0 FCADLP C(Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483766 1223035714 /nfs/dbraw/zinc/03/57/14/1223035714.db2.gz SQLLPVXCWDXYGW-RBSFLKMASA-N 2 2 359.478 0.140 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000245891362 1223060027 /nfs/dbraw/zinc/06/00/27/1223060027.db2.gz JPPNEDUBXBMXNY-HUUCEWRRSA-N 2 2 371.489 0.990 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000245891362 1223060031 /nfs/dbraw/zinc/06/00/31/1223060031.db2.gz JPPNEDUBXBMXNY-HUUCEWRRSA-N 2 2 371.489 0.990 20 0 FCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc3[nH]c(N)[nH+]c3c2)CC1 ZINC001156977431 1223064828 /nfs/dbraw/zinc/06/48/28/1223064828.db2.gz TZACZLXLYYIVCX-JOCQHMNTSA-N 2 2 358.446 0.864 20 0 FCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)CC1 ZINC001156977431 1223064836 /nfs/dbraw/zinc/06/48/36/1223064836.db2.gz TZACZLXLYYIVCX-JOCQHMNTSA-N 2 2 358.446 0.864 20 0 FCADLP COC(=O)C1CCN(c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)nn2)CC1 ZINC001157915812 1223084233 /nfs/dbraw/zinc/08/42/33/1223084233.db2.gz VTUKRIJYDDDPRZ-UHFFFAOYSA-N 2 2 361.450 0.460 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001157999052 1223086600 /nfs/dbraw/zinc/08/66/00/1223086600.db2.gz NKWGGVMVSQSXMP-HOCLYGCPSA-N 2 2 364.446 0.107 20 0 FCADLP COc1cc(N2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)cc[nH+]1 ZINC001158099242 1223089170 /nfs/dbraw/zinc/08/91/70/1223089170.db2.gz XPZWRJCYZVHYKW-UHFFFAOYSA-N 2 2 355.446 0.616 20 0 FCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC001158348321 1223095815 /nfs/dbraw/zinc/09/58/15/1223095815.db2.gz QMISMORBGCYCJU-HNNXBMFYSA-N 2 2 355.442 0.332 20 0 FCADLP [NH3+][C@H](CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C(=O)OCc1ccccc1 ZINC001158567136 1223102425 /nfs/dbraw/zinc/10/24/25/1223102425.db2.gz DTTAHAQLSJLLCF-ARFHVFGLSA-N 2 2 363.433 0.983 20 0 FCADLP O=C(N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158602007 1223103039 /nfs/dbraw/zinc/10/30/39/1223103039.db2.gz ULPFOPLLGARRAY-ORAYPTAESA-N 2 2 355.442 0.857 20 0 FCADLP O=C(N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158602008 1223103218 /nfs/dbraw/zinc/10/32/18/1223103218.db2.gz ULPFOPLLGARRAY-YJYMSZOUSA-N 2 2 355.442 0.857 20 0 FCADLP C[N@H+](C1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1)[C@H]1CCOC1 ZINC001158738100 1223106597 /nfs/dbraw/zinc/10/65/97/1223106597.db2.gz ZAQWVEZAPWVPGX-HNNXBMFYSA-N 2 2 373.505 0.981 20 0 FCADLP C[N@@H+](C1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1)[C@H]1CCOC1 ZINC001158738100 1223106600 /nfs/dbraw/zinc/10/66/00/1223106600.db2.gz ZAQWVEZAPWVPGX-HNNXBMFYSA-N 2 2 373.505 0.981 20 0 FCADLP CCOC[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)Cc2nn(CC3CC3)cc21 ZINC001158797926 1223109803 /nfs/dbraw/zinc/10/98/03/1223109803.db2.gz DXRXOQDMYFCKBN-TWOQFEAHSA-N 2 2 373.501 0.707 20 0 FCADLP CCOC[C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)Cc2nn(CC3CC3)cc21 ZINC001158800849 1223110005 /nfs/dbraw/zinc/11/00/05/1223110005.db2.gz XNJTWLFLFDGXKA-HNNXBMFYSA-N 2 2 361.490 0.836 20 0 FCADLP [NH3+]C1(C(=O)N2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC[NH2+]CC1 ZINC001158925835 1223112902 /nfs/dbraw/zinc/11/29/02/1223112902.db2.gz MRBUMZKLJVVGQJ-IBGZPJMESA-N 2 2 374.460 0.858 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@]24C[NH2+]C[C@@H]2CC[NH2+]4)CC3)cn1 ZINC001158982162 1223114772 /nfs/dbraw/zinc/11/47/72/1223114772.db2.gz GNXIWJOSVATCLS-URLQWDBASA-N 2 2 359.474 0.237 20 0 FCADLP N[C@]1(C(=O)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CCC[NH2+]C1 ZINC001159038790 1223116235 /nfs/dbraw/zinc/11/62/35/1223116235.db2.gz WHVNTMRVDWNVIK-LJQANCHMSA-N 2 2 362.474 0.554 20 0 FCADLP N[C@]1(C(=O)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CCC[NH2+]C1 ZINC001159038790 1223116236 /nfs/dbraw/zinc/11/62/36/1223116236.db2.gz WHVNTMRVDWNVIK-LJQANCHMSA-N 2 2 362.474 0.554 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159036148 1223116357 /nfs/dbraw/zinc/11/63/57/1223116357.db2.gz DRCRYBYWIKWGHA-KRWDZBQOSA-N 2 2 363.458 0.852 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159036148 1223116360 /nfs/dbraw/zinc/11/63/60/1223116360.db2.gz DRCRYBYWIKWGHA-KRWDZBQOSA-N 2 2 363.458 0.852 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)C1 ZINC001159210613 1223120730 /nfs/dbraw/zinc/12/07/30/1223120730.db2.gz DDEORNYTBTYTRF-DISONHOPSA-N 2 2 360.458 0.436 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159228765 1223121061 /nfs/dbraw/zinc/12/10/61/1223121061.db2.gz VGDILXUGPRARQS-LSTDLKDCSA-N 2 2 360.458 0.295 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)C1 ZINC001159218112 1223121178 /nfs/dbraw/zinc/12/11/78/1223121178.db2.gz DDEORNYTBTYTRF-NNPSNHGLSA-N 2 2 360.458 0.436 20 0 FCADLP N[C@@]1(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)CCC[NH2+]C1 ZINC001159282470 1223122576 /nfs/dbraw/zinc/12/25/76/1223122576.db2.gz BGGJKOBKYXWBHX-KXBFYZLASA-N 2 2 370.457 0.396 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001159472690 1223128031 /nfs/dbraw/zinc/12/80/31/1223128031.db2.gz XXIDNYHVBVRSKM-GNVJSZRZSA-N 3 2 362.518 0.415 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001159472690 1223128033 /nfs/dbraw/zinc/12/80/33/1223128033.db2.gz XXIDNYHVBVRSKM-GNVJSZRZSA-N 3 2 362.518 0.415 20 0 FCADLP C[C@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610834 1223131367 /nfs/dbraw/zinc/13/13/67/1223131367.db2.gz UYFSPCDXDIKZCQ-BLLLJJGKSA-N 2 2 374.489 0.246 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)[C@@H]2C ZINC001159632996 1223131739 /nfs/dbraw/zinc/13/17/39/1223131739.db2.gz DVKVASBCFUYOKB-VCBZYWHSSA-N 3 2 360.506 0.578 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)[C@@H]2C ZINC001159632996 1223131741 /nfs/dbraw/zinc/13/17/41/1223131741.db2.gz DVKVASBCFUYOKB-VCBZYWHSSA-N 3 2 360.506 0.578 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)[C@H]2C ZINC001159632995 1223131821 /nfs/dbraw/zinc/13/18/21/1223131821.db2.gz DVKVASBCFUYOKB-KHYOSLBOSA-N 3 2 360.506 0.578 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)[C@H]2C ZINC001159632995 1223131822 /nfs/dbraw/zinc/13/18/22/1223131822.db2.gz DVKVASBCFUYOKB-KHYOSLBOSA-N 3 2 360.506 0.578 20 0 FCADLP CC(C)C[C@@](C)([NH3+])C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633132 1223131853 /nfs/dbraw/zinc/13/18/53/1223131853.db2.gz GGQPNYZHHHMXHL-LJQANCHMSA-N 2 2 372.473 0.984 20 0 FCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001159679087 1223133356 /nfs/dbraw/zinc/13/33/56/1223133356.db2.gz BCKZBGFJMPMGTJ-WBVHZDCISA-N 2 2 354.458 0.795 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)C1CC[NH2+]CC1 ZINC001159677071 1223133366 /nfs/dbraw/zinc/13/33/66/1223133366.db2.gz DABYGBBYSNZUDK-GOSISDBHSA-N 3 2 373.501 0.606 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159695756 1223133974 /nfs/dbraw/zinc/13/39/74/1223133974.db2.gz GCCOCBDRDYNRFE-QMCVQRASSA-N 2 2 371.441 0.760 20 0 FCADLP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001159695505 1223134171 /nfs/dbraw/zinc/13/41/71/1223134171.db2.gz CUKWUXNDGBNVNX-NQZOLGFYSA-N 2 2 359.474 0.663 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159745757 1223135747 /nfs/dbraw/zinc/13/57/47/1223135747.db2.gz AXDGHUHWEXXBLI-BZUAXINKSA-N 2 2 373.388 0.061 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905364 1223139235 /nfs/dbraw/zinc/13/92/35/1223139235.db2.gz MZVSCIBQCQQSNV-NUJGCVRESA-N 2 2 357.414 0.514 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]12 ZINC001159990088 1223141819 /nfs/dbraw/zinc/14/18/19/1223141819.db2.gz GHLYSLLVZHZANH-QUCCMNQESA-N 2 2 370.497 0.858 20 0 FCADLP C[C@@]1(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC001159998868 1223142482 /nfs/dbraw/zinc/14/24/82/1223142482.db2.gz MWVAKLHXXUGMNR-HXUWFJFHSA-N 2 2 370.497 0.979 20 0 FCADLP C[C@@]1(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC001159998868 1223142484 /nfs/dbraw/zinc/14/24/84/1223142484.db2.gz MWVAKLHXXUGMNR-HXUWFJFHSA-N 2 2 370.497 0.979 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001160111501 1223146031 /nfs/dbraw/zinc/14/60/31/1223146031.db2.gz YZSMGIYESJOKRK-AEGPPILISA-N 2 2 357.414 0.256 20 0 FCADLP O=C(N1CCC2(CC1)Cc1ccccc1CNC2=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160156447 1223147300 /nfs/dbraw/zinc/14/73/00/1223147300.db2.gz PWIRVSBZPWPGQB-UTKZUKDTSA-N 2 2 368.481 0.419 20 0 FCADLP CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001160274323 1223152656 /nfs/dbraw/zinc/15/26/56/1223152656.db2.gz OAQSUWUZPOAXOW-IKGGRYGDSA-N 2 2 356.470 0.683 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n1 ZINC001160324128 1223154825 /nfs/dbraw/zinc/15/48/25/1223154825.db2.gz QHLOMYJJZSECKX-JONQDZQNSA-N 2 2 374.489 0.173 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NCc1ccccc1 ZINC001160325600 1223155269 /nfs/dbraw/zinc/15/52/69/1223155269.db2.gz BAXMLBYTFLRQHJ-HZPDHXFCSA-N 2 2 355.442 0.926 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NCc1ccccc1 ZINC001160325600 1223155274 /nfs/dbraw/zinc/15/52/74/1223155274.db2.gz BAXMLBYTFLRQHJ-HZPDHXFCSA-N 2 2 355.442 0.926 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160565019 1223164934 /nfs/dbraw/zinc/16/49/34/1223164934.db2.gz BWXZPPSEHFSFCW-HNNXBMFYSA-N 2 2 359.430 0.488 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160586141 1223165424 /nfs/dbraw/zinc/16/54/24/1223165424.db2.gz XJWQDPCYACBTPV-HNNXBMFYSA-N 3 2 368.441 0.146 20 0 FCADLP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C1)C2 ZINC001160777487 1223171840 /nfs/dbraw/zinc/17/18/40/1223171840.db2.gz ABEQNVWDULZLHU-RNKNFESXSA-N 2 2 357.454 0.797 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH2+]1 ZINC001160780452 1223172513 /nfs/dbraw/zinc/17/25/13/1223172513.db2.gz RWAKZRAEWLTYQA-MCNSXXNHSA-N 2 2 357.454 0.527 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]1C2 ZINC001160803413 1223174315 /nfs/dbraw/zinc/17/43/15/1223174315.db2.gz ADUMHOUCZRBJJO-QJNYJZHLSA-N 2 2 354.410 0.805 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC001161085161 1223184925 /nfs/dbraw/zinc/18/49/25/1223184925.db2.gz OIWVHDBGZYZFGU-RGPZOAQRSA-N 2 2 361.417 0.492 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC001161085160 1223185210 /nfs/dbraw/zinc/18/52/10/1223185210.db2.gz OIWVHDBGZYZFGU-NQUFMGSDSA-N 2 2 361.417 0.492 20 0 FCADLP COc1cc(N2CCN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)CC2)ncn1 ZINC001161092814 1223185920 /nfs/dbraw/zinc/18/59/20/1223185920.db2.gz BMPAUVQYLCAQMN-OAHLLOKOSA-N 2 2 356.430 0.406 20 0 FCADLP CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001161096751 1223186603 /nfs/dbraw/zinc/18/66/03/1223186603.db2.gz KJZUJNCLBGOCKL-RDJZCZTQSA-N 2 2 374.485 0.980 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C2(c3ccc(OC)cc3)CC[NH2+]CC2)C1 ZINC001161139232 1223186871 /nfs/dbraw/zinc/18/68/71/1223186871.db2.gz NUEQSNLHMIQAQG-IBGZPJMESA-N 2 2 361.442 0.419 20 0 FCADLP COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161146449 1223187107 /nfs/dbraw/zinc/18/71/07/1223187107.db2.gz PXAVOSQEJZAFCD-KRWDZBQOSA-N 2 2 374.485 0.343 20 0 FCADLP CCc1cc(NC2CC[NH+](CC(=O)NC)CC2)nc(N2CCOCC2)[nH+]1 ZINC001161139859 1223187209 /nfs/dbraw/zinc/18/72/09/1223187209.db2.gz LXXIGFWHYMPMQB-UHFFFAOYSA-N 2 2 362.478 0.498 20 0 FCADLP CC1(C)N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[C@]12c1ccccc1OC2=O ZINC001161164054 1223187820 /nfs/dbraw/zinc/18/78/20/1223187820.db2.gz WEZHMTQYCITQAR-XSRSJLKASA-N 2 2 355.438 0.804 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001161274291 1223193412 /nfs/dbraw/zinc/19/34/12/1223193412.db2.gz QGQRSCHEQHFJDA-ULQDDVLXSA-N 2 2 360.458 0.703 20 0 FCADLP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378741 1223197257 /nfs/dbraw/zinc/19/72/57/1223197257.db2.gz MINCSDMAGZSBJA-OALUTQOASA-N 3 2 360.502 0.945 20 0 FCADLP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380789 1223197790 /nfs/dbraw/zinc/19/77/90/1223197790.db2.gz VNRYHWDNAKWISX-IAGOWNOFSA-N 3 2 366.506 0.271 20 0 FCADLP FC1(F)C[NH2+]CC[C@@H]1CCNc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001162813217 1223220177 /nfs/dbraw/zinc/22/01/77/1223220177.db2.gz SQKFPAIEWMXPHO-GFCCVEGCSA-N 2 2 368.432 0.963 20 0 FCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972636 1223222520 /nfs/dbraw/zinc/22/25/20/1223222520.db2.gz JAJXVLWUKUVDKP-UHFFFAOYSA-N 3 2 371.493 0.657 20 0 FCADLP Cc1conc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996590 1223223249 /nfs/dbraw/zinc/22/32/49/1223223249.db2.gz VZTMNTPYKYOGAW-WBVHZDCISA-N 2 2 366.462 0.459 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ncc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163177058 1223227957 /nfs/dbraw/zinc/22/79/57/1223227957.db2.gz ALACOWXYDKKBNF-NXHRZFHOSA-N 2 2 362.474 0.829 20 0 FCADLP COC(=O)[C@@H]1C[C@H](Nc2cccc(NC(=O)NC3CC[NH2+]CC3)c2)C[NH2+]1 ZINC001164312022 1223237285 /nfs/dbraw/zinc/23/72/85/1223237285.db2.gz JUHNIBCKURJCJJ-HOTGVXAUSA-N 2 2 361.446 0.876 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc[nH+]1 ZINC001164627679 1223240535 /nfs/dbraw/zinc/24/05/35/1223240535.db2.gz VACWPKWVUYJNMX-IRXDYDNUSA-N 2 2 366.469 0.952 20 0 FCADLP COC(=O)CNC(=O)[C@H]1CCCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165188735 1223243001 /nfs/dbraw/zinc/24/30/01/1223243001.db2.gz RIOJZIFZGOQDKM-CQSZACIVSA-N 2 2 361.446 0.091 20 0 FCADLP O=C(NCCC1(C[NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001165593304 1223249699 /nfs/dbraw/zinc/24/96/99/1223249699.db2.gz ISAXFSLGMRDETR-ZIAGYGMSSA-N 2 2 360.462 0.415 20 0 FCADLP O=C(NCCC1(C[NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001165593304 1223249702 /nfs/dbraw/zinc/24/97/02/1223249702.db2.gz ISAXFSLGMRDETR-ZIAGYGMSSA-N 2 2 360.462 0.415 20 0 FCADLP O=C(NCCC1(C[NH2+]CCCO)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001166315988 1223272472 /nfs/dbraw/zinc/27/24/72/1223272472.db2.gz XYLILCOMKHWJHK-SJORKVTESA-N 2 2 369.506 0.125 20 0 FCADLP COc1coc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1=O ZINC001166967284 1223290271 /nfs/dbraw/zinc/29/02/71/1223290271.db2.gz JDHSVGLBOSIMKC-ZIAGYGMSSA-N 2 2 360.414 0.782 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001166961601 1223290381 /nfs/dbraw/zinc/29/03/81/1223290381.db2.gz SPMPSNSUVVORAM-ZIAGYGMSSA-N 2 2 364.494 0.717 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2ccc[nH]2)CC3)cn1 ZINC001204007051 1223297943 /nfs/dbraw/zinc/29/79/43/1223297943.db2.gz XGVOZODUTGBONA-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2ccc[nH]2)CC3)cn1 ZINC001204007051 1223297946 /nfs/dbraw/zinc/29/79/46/1223297946.db2.gz XGVOZODUTGBONA-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001205216865 1223318130 /nfs/dbraw/zinc/31/81/30/1223318130.db2.gz KBFMVQBTGZDGMQ-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[NH+]2CCCC2)C1 ZINC001205216865 1223318132 /nfs/dbraw/zinc/31/81/32/1223318132.db2.gz KBFMVQBTGZDGMQ-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1)C(C)C ZINC001206739753 1223368440 /nfs/dbraw/zinc/36/84/40/1223368440.db2.gz SZZMEUQEMFRCIT-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1)C(C)C ZINC001206739753 1223368444 /nfs/dbraw/zinc/36/84/44/1223368444.db2.gz SZZMEUQEMFRCIT-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(C)C ZINC001206739753 1223368447 /nfs/dbraw/zinc/36/84/47/1223368447.db2.gz SZZMEUQEMFRCIT-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(C)C ZINC001206739753 1223368452 /nfs/dbraw/zinc/36/84/52/1223368452.db2.gz SZZMEUQEMFRCIT-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207541212 1223453688 /nfs/dbraw/zinc/45/36/88/1223453688.db2.gz YXHZGLRXDWVRSZ-OWCLPIDISA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207541212 1223453692 /nfs/dbraw/zinc/45/36/92/1223453692.db2.gz YXHZGLRXDWVRSZ-OWCLPIDISA-N 2 2 366.506 0.060 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546797 1223454480 /nfs/dbraw/zinc/45/44/80/1223454480.db2.gz ACFQNVFDVWOHIX-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546797 1223454484 /nfs/dbraw/zinc/45/44/84/1223454484.db2.gz ACFQNVFDVWOHIX-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551275 1223454965 /nfs/dbraw/zinc/45/49/65/1223454965.db2.gz ZAKJVTONQMYWIJ-QBIMZIAESA-N 2 2 362.474 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551275 1223454967 /nfs/dbraw/zinc/45/49/67/1223454967.db2.gz ZAKJVTONQMYWIJ-QBIMZIAESA-N 2 2 362.474 0.673 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705835 1223472919 /nfs/dbraw/zinc/47/29/19/1223472919.db2.gz JZQPWMVZSIQOPG-NVXWUHKLSA-N 2 2 363.506 0.715 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705835 1223472922 /nfs/dbraw/zinc/47/29/22/1223472922.db2.gz JZQPWMVZSIQOPG-NVXWUHKLSA-N 2 2 363.506 0.715 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001207862306 1223487349 /nfs/dbraw/zinc/48/73/49/1223487349.db2.gz DQICHDGZVBRHAT-BFYDXBDKSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001207862306 1223487350 /nfs/dbraw/zinc/48/73/50/1223487350.db2.gz DQICHDGZVBRHAT-BFYDXBDKSA-N 2 2 362.518 0.966 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1F ZINC001276549834 1223493744 /nfs/dbraw/zinc/49/37/44/1223493744.db2.gz HCVMUVAKVHQNFV-GOSISDBHSA-N 2 2 366.437 0.594 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3[nH+]ccn3C)C2)n1 ZINC001208061946 1223511152 /nfs/dbraw/zinc/51/11/52/1223511152.db2.gz SGMSXVGALUABHC-CZUORRHYSA-N 2 2 359.478 0.698 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCc3[nH+]ccn3C)C2)n1 ZINC001208061946 1223511154 /nfs/dbraw/zinc/51/11/54/1223511154.db2.gz SGMSXVGALUABHC-CZUORRHYSA-N 2 2 359.478 0.698 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364637 1223536313 /nfs/dbraw/zinc/53/63/13/1223536313.db2.gz FMEMQCFUXRNMGA-ARFHVFGLSA-N 2 2 363.462 0.247 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364637 1223536317 /nfs/dbraw/zinc/53/63/17/1223536317.db2.gz FMEMQCFUXRNMGA-ARFHVFGLSA-N 2 2 363.462 0.247 20 0 FCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496567 1223552603 /nfs/dbraw/zinc/55/26/03/1223552603.db2.gz ZZPAAFMBCINRJY-HUUCEWRRSA-N 2 2 364.494 0.620 20 0 FCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496567 1223552606 /nfs/dbraw/zinc/55/26/06/1223552606.db2.gz ZZPAAFMBCINRJY-HUUCEWRRSA-N 2 2 364.494 0.620 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615371 1223563216 /nfs/dbraw/zinc/56/32/16/1223563216.db2.gz WBYFYIOLDJWRRD-YYIAUSFCSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615371 1223563218 /nfs/dbraw/zinc/56/32/18/1223563218.db2.gz WBYFYIOLDJWRRD-YYIAUSFCSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615371 1223563221 /nfs/dbraw/zinc/56/32/21/1223563221.db2.gz WBYFYIOLDJWRRD-YYIAUSFCSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615371 1223563222 /nfs/dbraw/zinc/56/32/22/1223563222.db2.gz WBYFYIOLDJWRRD-YYIAUSFCSA-N 2 2 361.490 0.724 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001208699859 1223570710 /nfs/dbraw/zinc/57/07/10/1223570710.db2.gz XBSUJURCWFXVTI-MCIONIFRSA-N 2 2 369.510 0.387 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001208699859 1223570714 /nfs/dbraw/zinc/57/07/14/1223570714.db2.gz XBSUJURCWFXVTI-MCIONIFRSA-N 2 2 369.510 0.387 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738443 1223573764 /nfs/dbraw/zinc/57/37/64/1223573764.db2.gz DPPDCVGARJXQBV-BFYDXBDKSA-N 2 2 364.494 0.253 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C)[NH+]1CCCC1 ZINC001208738443 1223573767 /nfs/dbraw/zinc/57/37/67/1223573767.db2.gz DPPDCVGARJXQBV-BFYDXBDKSA-N 2 2 364.494 0.253 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985269 1223590043 /nfs/dbraw/zinc/59/00/43/1223590043.db2.gz OYEXVGIRKOGDQA-BFYDXBDKSA-N 2 2 365.478 0.423 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985269 1223590044 /nfs/dbraw/zinc/59/00/44/1223590044.db2.gz OYEXVGIRKOGDQA-BFYDXBDKSA-N 2 2 365.478 0.423 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(CCN3CCOCC3)C2=O)C1 ZINC001276611811 1223595786 /nfs/dbraw/zinc/59/57/86/1223595786.db2.gz XTABPMZGBGYTKG-LJQANCHMSA-N 2 2 366.506 0.111 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CC(=O)N(CCN3CCOCC3)C2=O)C1 ZINC001276611811 1223595790 /nfs/dbraw/zinc/59/57/90/1223595790.db2.gz XTABPMZGBGYTKG-LJQANCHMSA-N 2 2 366.506 0.111 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCCN(CC[NH+]3CCCC3)C2)C1=O ZINC001276612083 1223596132 /nfs/dbraw/zinc/59/61/32/1223596132.db2.gz UKIBHDYCKIKIBV-LJQANCHMSA-N 2 2 359.474 0.857 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327159 1223611167 /nfs/dbraw/zinc/61/11/67/1223611167.db2.gz DJOFNOSQXMHLCU-CKEIUWERSA-N 2 2 357.458 0.924 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327159 1223611169 /nfs/dbraw/zinc/61/11/69/1223611169.db2.gz DJOFNOSQXMHLCU-CKEIUWERSA-N 2 2 357.458 0.924 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001209327159 1223611173 /nfs/dbraw/zinc/61/11/73/1223611173.db2.gz DJOFNOSQXMHLCU-CKEIUWERSA-N 2 2 357.458 0.924 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514879 1223627231 /nfs/dbraw/zinc/62/72/31/1223627231.db2.gz QHRLETAKQQBPCD-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514879 1223627233 /nfs/dbraw/zinc/62/72/33/1223627233.db2.gz QHRLETAKQQBPCD-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP Cc1n[nH]cc1C[N@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001209555565 1223630955 /nfs/dbraw/zinc/63/09/55/1223630955.db2.gz HCHYPHTWBZVMHM-UHFFFAOYSA-N 2 2 368.445 0.636 20 0 FCADLP Cc1n[nH]cc1C[N@@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001209555565 1223630959 /nfs/dbraw/zinc/63/09/59/1223630959.db2.gz HCHYPHTWBZVMHM-UHFFFAOYSA-N 2 2 368.445 0.636 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698374 1223641596 /nfs/dbraw/zinc/64/15/96/1223641596.db2.gz AHDIIKLEXTWCBE-ARFHVFGLSA-N 2 2 361.490 0.876 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001209699796 1223642204 /nfs/dbraw/zinc/64/22/04/1223642204.db2.gz NOEVTGNRTISRQK-BZUAXINKSA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001276669959 1223643840 /nfs/dbraw/zinc/64/38/40/1223643840.db2.gz DBWCKNYWTOPAAR-GOSISDBHSA-N 2 2 363.462 0.269 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001276669959 1223643843 /nfs/dbraw/zinc/64/38/43/1223643843.db2.gz DBWCKNYWTOPAAR-GOSISDBHSA-N 2 2 363.462 0.269 20 0 FCADLP NC(=O)CCCCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276671201 1223645717 /nfs/dbraw/zinc/64/57/17/1223645717.db2.gz MTDCSQNJNJDFOS-SFHVURJKSA-N 2 2 363.462 0.232 20 0 FCADLP NC(=O)CCCCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276671201 1223645722 /nfs/dbraw/zinc/64/57/22/1223645722.db2.gz MTDCSQNJNJDFOS-SFHVURJKSA-N 2 2 363.462 0.232 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167749 1223762311 /nfs/dbraw/zinc/76/23/11/1223762311.db2.gz INBHQUKXOITGTJ-GVDBMIGSSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167749 1223762316 /nfs/dbraw/zinc/76/23/16/1223762316.db2.gz INBHQUKXOITGTJ-GVDBMIGSSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239643 1223775393 /nfs/dbraw/zinc/77/53/93/1223775393.db2.gz ULBFBZUHWFMFOA-HZPDHXFCSA-N 2 2 363.462 0.101 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239643 1223775396 /nfs/dbraw/zinc/77/53/96/1223775396.db2.gz ULBFBZUHWFMFOA-HZPDHXFCSA-N 2 2 363.462 0.101 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329053 1223785451 /nfs/dbraw/zinc/78/54/51/1223785451.db2.gz OTWHXDUHVCTIFV-KZNAEPCWSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329053 1223785455 /nfs/dbraw/zinc/78/54/55/1223785455.db2.gz OTWHXDUHVCTIFV-KZNAEPCWSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329053 1223785457 /nfs/dbraw/zinc/78/54/57/1223785457.db2.gz OTWHXDUHVCTIFV-KZNAEPCWSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001213329053 1223785458 /nfs/dbraw/zinc/78/54/58/1223785458.db2.gz OTWHXDUHVCTIFV-KZNAEPCWSA-N 2 2 369.506 0.338 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339800 1223787739 /nfs/dbraw/zinc/78/77/39/1223787739.db2.gz AXIMSKGMELZGMM-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339800 1223787740 /nfs/dbraw/zinc/78/77/40/1223787740.db2.gz AXIMSKGMELZGMM-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368751 1223791038 /nfs/dbraw/zinc/79/10/38/1223791038.db2.gz GWCZYHIEAIBWIH-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368751 1223791041 /nfs/dbraw/zinc/79/10/41/1223791041.db2.gz GWCZYHIEAIBWIH-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001213458303 1223801198 /nfs/dbraw/zinc/80/11/98/1223801198.db2.gz RLYKHFYCKSKYPS-QLFBSQMISA-N 2 2 371.526 0.240 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001213458303 1223801200 /nfs/dbraw/zinc/80/12/00/1223801200.db2.gz RLYKHFYCKSKYPS-QLFBSQMISA-N 2 2 371.526 0.240 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526848 1223810071 /nfs/dbraw/zinc/81/00/71/1223810071.db2.gz XSGCTJQHKJUHGP-HZPDHXFCSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526848 1223810073 /nfs/dbraw/zinc/81/00/73/1223810073.db2.gz XSGCTJQHKJUHGP-HZPDHXFCSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213624832 1223824668 /nfs/dbraw/zinc/82/46/68/1223824668.db2.gz DJIPATDBRYCUAO-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001213624832 1223824669 /nfs/dbraw/zinc/82/46/69/1223824669.db2.gz DJIPATDBRYCUAO-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755448 1223844983 /nfs/dbraw/zinc/84/49/83/1223844983.db2.gz AMAXHIGOTXMLIA-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755448 1223844985 /nfs/dbraw/zinc/84/49/85/1223844985.db2.gz AMAXHIGOTXMLIA-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755448 1223844989 /nfs/dbraw/zinc/84/49/89/1223844989.db2.gz AMAXHIGOTXMLIA-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213755448 1223844990 /nfs/dbraw/zinc/84/49/90/1223844990.db2.gz AMAXHIGOTXMLIA-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213767448 1223846817 /nfs/dbraw/zinc/84/68/17/1223846817.db2.gz UHMFFVBLJINAKP-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213767448 1223846820 /nfs/dbraw/zinc/84/68/20/1223846820.db2.gz UHMFFVBLJINAKP-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213767448 1223846821 /nfs/dbraw/zinc/84/68/21/1223846821.db2.gz UHMFFVBLJINAKP-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213767448 1223846823 /nfs/dbraw/zinc/84/68/23/1223846823.db2.gz UHMFFVBLJINAKP-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781299 1223848988 /nfs/dbraw/zinc/84/89/88/1223848988.db2.gz MVTLWPSRNOVDEB-DJIMGWMZSA-N 2 2 368.478 0.110 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781299 1223848989 /nfs/dbraw/zinc/84/89/89/1223848989.db2.gz MVTLWPSRNOVDEB-DJIMGWMZSA-N 2 2 368.478 0.110 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863268 1223863957 /nfs/dbraw/zinc/86/39/57/1223863957.db2.gz JAWKHBGMZHAOCY-CGTJXYLNSA-N 2 2 362.474 0.365 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863268 1223863959 /nfs/dbraw/zinc/86/39/59/1223863959.db2.gz JAWKHBGMZHAOCY-CGTJXYLNSA-N 2 2 362.474 0.365 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916843 1223871790 /nfs/dbraw/zinc/87/17/90/1223871790.db2.gz NAWDMGKRGUTXAB-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916843 1223871791 /nfs/dbraw/zinc/87/17/91/1223871791.db2.gz NAWDMGKRGUTXAB-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927570 1223874146 /nfs/dbraw/zinc/87/41/46/1223874146.db2.gz QHWQEUGYSLIVLV-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927570 1223874148 /nfs/dbraw/zinc/87/41/48/1223874148.db2.gz QHWQEUGYSLIVLV-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927570 1223874150 /nfs/dbraw/zinc/87/41/50/1223874150.db2.gz QHWQEUGYSLIVLV-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927570 1223874152 /nfs/dbraw/zinc/87/41/52/1223874152.db2.gz QHWQEUGYSLIVLV-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929976 1223875153 /nfs/dbraw/zinc/87/51/53/1223875153.db2.gz UDWUEEFWCNLASS-BZUAXINKSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929976 1223875154 /nfs/dbraw/zinc/87/51/54/1223875154.db2.gz UDWUEEFWCNLASS-BZUAXINKSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929976 1223875156 /nfs/dbraw/zinc/87/51/56/1223875156.db2.gz UDWUEEFWCNLASS-BZUAXINKSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929976 1223875158 /nfs/dbraw/zinc/87/51/58/1223875158.db2.gz UDWUEEFWCNLASS-BZUAXINKSA-N 2 2 370.538 0.835 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213931685 1223875179 /nfs/dbraw/zinc/87/51/79/1223875179.db2.gz OGIUKVNNIHELFH-KURKYZTESA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213931685 1223875180 /nfs/dbraw/zinc/87/51/80/1223875180.db2.gz OGIUKVNNIHELFH-KURKYZTESA-N 2 2 363.506 0.856 20 0 FCADLP CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)n1cc[nH+]c1 ZINC001214916518 1223954644 /nfs/dbraw/zinc/95/46/44/1223954644.db2.gz FJCRHTFVLTVODQ-MGPQQGTHSA-N 2 2 364.450 0.102 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006607 1223963777 /nfs/dbraw/zinc/96/37/77/1223963777.db2.gz XXNYGTDVHMNTPP-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001215015433 1223964454 /nfs/dbraw/zinc/96/44/54/1223964454.db2.gz SJDAQSHVSCFBRM-UKRRQHHQSA-N 2 2 358.450 0.068 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001215199725 1223981812 /nfs/dbraw/zinc/98/18/12/1223981812.db2.gz BGDRRWCBFJHUJE-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215225979 1223983596 /nfs/dbraw/zinc/98/35/96/1223983596.db2.gz AXZGDFGKOKKPDI-DJIMGWMZSA-N 2 2 366.506 0.012 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cnn(CC)n4)C[C@H]32)CC[N@@H+]1C ZINC000978175622 1248716750 /nfs/dbraw/zinc/71/67/50/1248716750.db2.gz HAFBICVMXAOEOZ-NNPSNHGLSA-N 2 2 360.506 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cnn(CC)n4)C[C@H]32)CC[N@H+]1C ZINC000978175622 1248716756 /nfs/dbraw/zinc/71/67/56/1248716756.db2.gz HAFBICVMXAOEOZ-NNPSNHGLSA-N 2 2 360.506 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(CC)n4)C[C@H]32)CC[NH+]1C ZINC000978175622 1248716761 /nfs/dbraw/zinc/71/67/61/1248716761.db2.gz HAFBICVMXAOEOZ-NNPSNHGLSA-N 2 2 360.506 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnn(CC)n4)C[C@H]32)CC[NH+]1C ZINC000978175622 1248716768 /nfs/dbraw/zinc/71/67/68/1248716768.db2.gz HAFBICVMXAOEOZ-NNPSNHGLSA-N 2 2 360.506 0.822 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215255073 1223985929 /nfs/dbraw/zinc/98/59/29/1223985929.db2.gz XJNXOYZOCDMGJQ-FHLIZLRMSA-N 2 2 358.442 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001215269319 1223987420 /nfs/dbraw/zinc/98/74/20/1223987420.db2.gz VRODTVSLLQVNIJ-GDBMZVCRSA-N 2 2 359.430 0.619 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215385788 1223995524 /nfs/dbraw/zinc/99/55/24/1223995524.db2.gz ZYNGFNSTANKFFZ-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215385788 1223995525 /nfs/dbraw/zinc/99/55/25/1223995525.db2.gz ZYNGFNSTANKFFZ-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@H]2C)o1 ZINC001215598828 1224008973 /nfs/dbraw/zinc/00/89/73/1224008973.db2.gz JONMAQFHDVEBEL-IIAWOOMASA-N 2 2 365.478 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001215681018 1224012437 /nfs/dbraw/zinc/01/24/37/1224012437.db2.gz PXONOWVJPFDNDB-RHSMWYFYSA-N 2 2 355.442 0.705 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001215684800 1224012779 /nfs/dbraw/zinc/01/27/79/1224012779.db2.gz DAEDZEQHGBGHSO-CZUORRHYSA-N 2 2 359.430 0.640 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705811 1224013382 /nfs/dbraw/zinc/01/33/82/1224013382.db2.gz RXPIAHVJLNVCEY-OWCLPIDISA-N 2 2 365.478 0.423 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001215920938 1224024817 /nfs/dbraw/zinc/02/48/17/1224024817.db2.gz WWTMUMMHWWKMLF-DJIMGWMZSA-N 2 2 360.458 0.629 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185577 1224038214 /nfs/dbraw/zinc/03/82/14/1224038214.db2.gz YIIXCMCSQHXUFS-CZUORRHYSA-N 2 2 356.430 0.454 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC001216383108 1224047670 /nfs/dbraw/zinc/04/76/70/1224047670.db2.gz INUMYIZOGGEAJU-GDBMZVCRSA-N 2 2 363.506 0.952 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216392580 1224047862 /nfs/dbraw/zinc/04/78/62/1224047862.db2.gz IVUGBABNJBDWAL-ZIAGYGMSSA-N 2 2 365.478 0.277 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001216627120 1224059572 /nfs/dbraw/zinc/05/95/72/1224059572.db2.gz QTJKWIMHXZNGFV-RHSMWYFYSA-N 2 2 361.490 0.706 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630875 1224059580 /nfs/dbraw/zinc/05/95/80/1224059580.db2.gz SKDLOBMBAVAROG-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993541 1224083097 /nfs/dbraw/zinc/08/30/97/1224083097.db2.gz JPKDHXVZXALSKE-HZPDHXFCSA-N 2 2 364.494 0.807 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCC2(CCC(=O)N(CCn3cc[nH+]c3)C2)CC1 ZINC001277719369 1226172864 /nfs/dbraw/zinc/17/28/64/1226172864.db2.gz NARNHGQSTYNVSD-QGZVFWFLSA-N 2 2 364.490 0.985 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000978511375 1248766984 /nfs/dbraw/zinc/76/69/84/1248766984.db2.gz RSDOEIRKJCVGEV-QQXKLLMISA-N 2 2 363.502 0.570 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000978511375 1248766991 /nfs/dbraw/zinc/76/69/91/1248766991.db2.gz RSDOEIRKJCVGEV-QQXKLLMISA-N 2 2 363.502 0.570 20 0 FCADLP CCc1noc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985494723 1248942590 /nfs/dbraw/zinc/94/25/90/1248942590.db2.gz FVROJRSAIQBTHP-UKRRQHHQSA-N 2 2 365.478 0.774 20 0 FCADLP CCc1noc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985494723 1248942601 /nfs/dbraw/zinc/94/26/01/1248942601.db2.gz FVROJRSAIQBTHP-UKRRQHHQSA-N 2 2 365.478 0.774 20 0 FCADLP CCc1noc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985494723 1248942614 /nfs/dbraw/zinc/94/26/14/1248942614.db2.gz FVROJRSAIQBTHP-UKRRQHHQSA-N 2 2 365.478 0.774 20 0 FCADLP CCc1noc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985494723 1248942623 /nfs/dbraw/zinc/94/26/23/1248942623.db2.gz FVROJRSAIQBTHP-UKRRQHHQSA-N 2 2 365.478 0.774 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC000988077528 1249326700 /nfs/dbraw/zinc/32/67/00/1249326700.db2.gz UGDFMKYIYJLODQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC000988077528 1249326710 /nfs/dbraw/zinc/32/67/10/1249326710.db2.gz UGDFMKYIYJLODQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000988077528 1249326729 /nfs/dbraw/zinc/32/67/29/1249326729.db2.gz UGDFMKYIYJLODQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000988077528 1249326742 /nfs/dbraw/zinc/32/67/42/1249326742.db2.gz UGDFMKYIYJLODQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993436919 1249537450 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ZINC001006180123 1253719786 /nfs/dbraw/zinc/71/97/86/1253719786.db2.gz GFWZGYUBEGZTDH-GZBFAFLISA-N 2 2 361.490 0.991 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001006180123 1253719792 /nfs/dbraw/zinc/71/97/92/1253719792.db2.gz GFWZGYUBEGZTDH-GZBFAFLISA-N 2 2 361.490 0.991 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)C1 ZINC001009636133 1253750395 /nfs/dbraw/zinc/75/03/95/1253750395.db2.gz NRJISJAZTDHCNZ-VCBZYWHSSA-N 2 2 359.474 0.649 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)C1 ZINC001009636133 1253750398 /nfs/dbraw/zinc/75/03/98/1253750398.db2.gz NRJISJAZTDHCNZ-VCBZYWHSSA-N 2 2 359.474 0.649 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022037092 1253760086 /nfs/dbraw/zinc/76/00/86/1253760086.db2.gz YOBJEBBDRKHUJH-GVDBMIGSSA-N 2 2 357.458 0.284 20 0 FCADLP Cc1nccnc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465759 1253855766 /nfs/dbraw/zinc/85/57/66/1253855766.db2.gz YJOAEPBIWITBCK-QGPMSJSTSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465759 1253855772 /nfs/dbraw/zinc/85/57/72/1253855772.db2.gz YJOAEPBIWITBCK-QGPMSJSTSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465759 1253855786 /nfs/dbraw/zinc/85/57/86/1253855786.db2.gz YJOAEPBIWITBCK-QGPMSJSTSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465759 1253855797 /nfs/dbraw/zinc/85/57/97/1253855797.db2.gz YJOAEPBIWITBCK-QGPMSJSTSA-N 2 2 361.490 0.927 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)c3ccccc3F)C2)O1 ZINC001031764095 1253891801 /nfs/dbraw/zinc/89/18/01/1253891801.db2.gz UULSLJNIRZMKII-JEBQAFNWSA-N 2 2 365.449 0.626 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)c3ccccc3F)C2)O1 ZINC001031764095 1253891823 /nfs/dbraw/zinc/89/18/23/1253891823.db2.gz UULSLJNIRZMKII-JEBQAFNWSA-N 2 2 365.449 0.626 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1 ZINC001034737424 1254004193 /nfs/dbraw/zinc/00/41/93/1254004193.db2.gz CKGXYCWFSUFHOL-QCODTGAPSA-N 2 2 359.474 0.819 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH2+][C@H]2CCNC2=O)cc1 ZINC001034825582 1254007235 /nfs/dbraw/zinc/00/72/35/1254007235.db2.gz LBYXSXVHYYCFPO-ZACQAIPSSA-N 2 2 367.453 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCCN3CCCC3=O)CCO2)CC[N@@H+]1C ZINC001035370557 1254025367 /nfs/dbraw/zinc/02/53/67/1254025367.db2.gz CDTFNNWKOHVWMD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCCN3CCCC3=O)CCO2)CC[N@H+]1C ZINC001035370557 1254025377 /nfs/dbraw/zinc/02/53/77/1254025377.db2.gz CDTFNNWKOHVWMD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001035370557 1254025381 /nfs/dbraw/zinc/02/53/81/1254025381.db2.gz CDTFNNWKOHVWMD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001035370557 1254025387 /nfs/dbraw/zinc/02/53/87/1254025387.db2.gz CDTFNNWKOHVWMD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001035799104 1254065218 /nfs/dbraw/zinc/06/52/18/1254065218.db2.gz XBJDLMLEMAVCQI-BZUAXINKSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001062597344 1254271969 /nfs/dbraw/zinc/27/19/69/1254271969.db2.gz BAHPFAZIHGOUHM-ZOBORPQBSA-N 2 2 355.446 0.493 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001062597344 1254271975 /nfs/dbraw/zinc/27/19/75/1254271975.db2.gz BAHPFAZIHGOUHM-ZOBORPQBSA-N 2 2 355.446 0.493 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001063055629 1254297927 /nfs/dbraw/zinc/29/79/27/1254297927.db2.gz GGZBVEDTPUNEFH-MGPQQGTHSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001063055629 1254297948 /nfs/dbraw/zinc/29/79/48/1254297948.db2.gz GGZBVEDTPUNEFH-MGPQQGTHSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001520257757 1265891199 /nfs/dbraw/zinc/89/11/99/1265891199.db2.gz AAXCRMIPABIUJE-ZBFHGGJFSA-N 2 2 363.510 0.906 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001520257757 1265891207 /nfs/dbraw/zinc/89/12/07/1265891207.db2.gz AAXCRMIPABIUJE-ZBFHGGJFSA-N 2 2 363.510 0.906 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077582914 1254734240 /nfs/dbraw/zinc/73/42/40/1254734240.db2.gz YDFXCACKXYAHJR-BZUAXINKSA-N 2 2 365.474 0.931 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077582914 1254734253 /nfs/dbraw/zinc/73/42/53/1254734253.db2.gz YDFXCACKXYAHJR-BZUAXINKSA-N 2 2 365.474 0.931 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679310 1254864119 /nfs/dbraw/zinc/86/41/19/1254864119.db2.gz NVZBWIPPDLPHKS-NIKGAXFTSA-N 2 2 359.470 0.720 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679310 1254864129 /nfs/dbraw/zinc/86/41/29/1254864129.db2.gz NVZBWIPPDLPHKS-NIKGAXFTSA-N 2 2 359.470 0.720 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679310 1254864141 /nfs/dbraw/zinc/86/41/41/1254864141.db2.gz NVZBWIPPDLPHKS-NIKGAXFTSA-N 2 2 359.470 0.720 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)C1 ZINC001077679310 1254864149 /nfs/dbraw/zinc/86/41/49/1254864149.db2.gz NVZBWIPPDLPHKS-NIKGAXFTSA-N 2 2 359.470 0.720 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001077923878 1255104514 /nfs/dbraw/zinc/10/45/14/1255104514.db2.gz IUVDYHUUVNUKAG-ZTFGCOKTSA-N 2 2 361.490 0.819 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001077923878 1255104524 /nfs/dbraw/zinc/10/45/24/1255104524.db2.gz IUVDYHUUVNUKAG-ZTFGCOKTSA-N 2 2 361.490 0.819 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992328 1255152236 /nfs/dbraw/zinc/15/22/36/1255152236.db2.gz VFNCQQDCWVJMRH-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992328 1255152239 /nfs/dbraw/zinc/15/22/39/1255152239.db2.gz VFNCQQDCWVJMRH-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011897 1255166741 /nfs/dbraw/zinc/16/67/41/1255166741.db2.gz NASNRZWXENFFFU-HZPDHXFCSA-N 2 2 363.433 0.591 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011897 1255166746 /nfs/dbraw/zinc/16/67/46/1255166746.db2.gz NASNRZWXENFFFU-HZPDHXFCSA-N 2 2 363.433 0.591 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001078178747 1255292898 /nfs/dbraw/zinc/29/28/98/1255292898.db2.gz BKPFFBJQJJDDGY-RTBURBONSA-N 2 2 369.469 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001078178747 1255292905 /nfs/dbraw/zinc/29/29/05/1255292905.db2.gz BKPFFBJQJJDDGY-RTBURBONSA-N 2 2 369.469 0.629 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183469 1255299131 /nfs/dbraw/zinc/29/91/31/1255299131.db2.gz SCYQXZCQEWZOEH-HUUCEWRRSA-N 2 2 361.446 0.973 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183469 1255299135 /nfs/dbraw/zinc/29/91/35/1255299135.db2.gz SCYQXZCQEWZOEH-HUUCEWRRSA-N 2 2 361.446 0.973 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209836 1255323940 /nfs/dbraw/zinc/32/39/40/1255323940.db2.gz MFZKXSOFMHCHOQ-KURKYZTESA-N 2 2 365.449 0.538 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209836 1255323948 /nfs/dbraw/zinc/32/39/48/1255323948.db2.gz MFZKXSOFMHCHOQ-KURKYZTESA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209836 1255323957 /nfs/dbraw/zinc/32/39/57/1255323957.db2.gz MFZKXSOFMHCHOQ-KURKYZTESA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]2O)C1 ZINC001078209836 1255323969 /nfs/dbraw/zinc/32/39/69/1255323969.db2.gz MFZKXSOFMHCHOQ-KURKYZTESA-N 2 2 365.449 0.538 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001078209196 1255324825 /nfs/dbraw/zinc/32/48/25/1255324825.db2.gz CWLDWDLNFAKRIM-UZRSSAJHSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001078209196 1255324835 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CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001081796546 1256376014 /nfs/dbraw/zinc/37/60/14/1256376014.db2.gz ZWYFNCRNCQHFLE-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796546 1256376022 /nfs/dbraw/zinc/37/60/22/1256376022.db2.gz ZWYFNCRNCQHFLE-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001081796546 1256376029 /nfs/dbraw/zinc/37/60/29/1256376029.db2.gz ZWYFNCRNCQHFLE-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796546 1256376035 /nfs/dbraw/zinc/37/60/35/1256376035.db2.gz ZWYFNCRNCQHFLE-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799194 1256378674 /nfs/dbraw/zinc/37/86/74/1256378674.db2.gz HCNCUFBUULDUSY-BRWVUGGUSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799194 1256378679 /nfs/dbraw/zinc/37/86/79/1256378679.db2.gz HCNCUFBUULDUSY-BRWVUGGUSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799194 1256378684 /nfs/dbraw/zinc/37/86/84/1256378684.db2.gz HCNCUFBUULDUSY-BRWVUGGUSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799194 1256378692 /nfs/dbraw/zinc/37/86/92/1256378692.db2.gz HCNCUFBUULDUSY-BRWVUGGUSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081857101 1256414868 /nfs/dbraw/zinc/41/48/68/1256414868.db2.gz XVGWTCJXGLSLNM-KZNAEPCWSA-N 2 2 363.506 0.800 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081857101 1256414872 /nfs/dbraw/zinc/41/48/72/1256414872.db2.gz XVGWTCJXGLSLNM-KZNAEPCWSA-N 2 2 363.506 0.800 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081857101 1256414875 /nfs/dbraw/zinc/41/48/75/1256414875.db2.gz XVGWTCJXGLSLNM-KZNAEPCWSA-N 2 2 363.506 0.800 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081857101 1256414879 /nfs/dbraw/zinc/41/48/79/1256414879.db2.gz XVGWTCJXGLSLNM-KZNAEPCWSA-N 2 2 363.506 0.800 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001081867377 1256419278 /nfs/dbraw/zinc/41/92/78/1256419278.db2.gz QVERZZNJWGVBQS-ZTFGCOKTSA-N 2 2 362.474 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001081867377 1256419283 /nfs/dbraw/zinc/41/92/83/1256419283.db2.gz QVERZZNJWGVBQS-ZTFGCOKTSA-N 2 2 362.474 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949286 1256469095 /nfs/dbraw/zinc/46/90/95/1256469095.db2.gz IOJBQDFIHATZLV-DJIMGWMZSA-N 2 2 358.446 0.867 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949286 1256469098 /nfs/dbraw/zinc/46/90/98/1256469098.db2.gz IOJBQDFIHATZLV-DJIMGWMZSA-N 2 2 358.446 0.867 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082138240 1256555834 /nfs/dbraw/zinc/55/58/34/1256555834.db2.gz VFWUICULLLZKJA-IAOVAPTHSA-N 2 2 366.462 0.734 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082138240 1256555836 /nfs/dbraw/zinc/55/58/36/1256555836.db2.gz VFWUICULLLZKJA-IAOVAPTHSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201363 1256588403 /nfs/dbraw/zinc/58/84/03/1256588403.db2.gz ZHNJROCYGMGTJD-IAOVAPTHSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201363 1256588407 /nfs/dbraw/zinc/58/84/07/1256588407.db2.gz ZHNJROCYGMGTJD-IAOVAPTHSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291131 1256636144 /nfs/dbraw/zinc/63/61/44/1256636144.db2.gz BNOAEOFQEZQPQY-QZTJIDSGSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291131 1256636149 /nfs/dbraw/zinc/63/61/49/1256636149.db2.gz BNOAEOFQEZQPQY-QZTJIDSGSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291131 1256636155 /nfs/dbraw/zinc/63/61/55/1256636155.db2.gz BNOAEOFQEZQPQY-QZTJIDSGSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001082318032 1256654304 /nfs/dbraw/zinc/65/43/04/1256654304.db2.gz UPOZSXBOMZOYRR-IAGOWNOFSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001082318032 1256654309 /nfs/dbraw/zinc/65/43/09/1256654309.db2.gz UPOZSXBOMZOYRR-IAGOWNOFSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327426 1256667960 /nfs/dbraw/zinc/66/79/60/1256667960.db2.gz SMFGVYNDTMIMCT-KZNAEPCWSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327426 1256667964 /nfs/dbraw/zinc/66/79/64/1256667964.db2.gz SMFGVYNDTMIMCT-KZNAEPCWSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCCC1 ZINC001082327742 1256669592 /nfs/dbraw/zinc/66/95/92/1256669592.db2.gz MGWQEEJLTJHKBS-KZNAEPCWSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCCC1 ZINC001082327742 1256669600 /nfs/dbraw/zinc/66/96/00/1256669600.db2.gz MGWQEEJLTJHKBS-KZNAEPCWSA-N 2 2 364.490 0.983 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384238 1256734314 /nfs/dbraw/zinc/73/43/14/1256734314.db2.gz KZWUUVJKQUFPHD-KBRIMQKVSA-N 2 2 362.474 0.312 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384238 1256734319 /nfs/dbraw/zinc/73/43/19/1256734319.db2.gz KZWUUVJKQUFPHD-KBRIMQKVSA-N 2 2 362.474 0.312 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384730 1256736657 /nfs/dbraw/zinc/73/66/57/1256736657.db2.gz JQLYNXSMENRUMN-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384730 1256736663 /nfs/dbraw/zinc/73/66/63/1256736663.db2.gz JQLYNXSMENRUMN-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384730 1256736670 /nfs/dbraw/zinc/73/66/70/1256736670.db2.gz JQLYNXSMENRUMN-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384730 1256736674 /nfs/dbraw/zinc/73/66/74/1256736674.db2.gz JQLYNXSMENRUMN-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001082384415 1256736840 /nfs/dbraw/zinc/73/68/40/1256736840.db2.gz VJHLDRKVYQMCGL-BRWVUGGUSA-N 2 2 360.458 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001082384415 1256736845 /nfs/dbraw/zinc/73/68/45/1256736845.db2.gz VJHLDRKVYQMCGL-BRWVUGGUSA-N 2 2 360.458 0.066 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001082458984 1256770078 /nfs/dbraw/zinc/77/00/78/1256770078.db2.gz DIXJYJOSRCUHDJ-FVQBIDKESA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001082458984 1256770084 /nfs/dbraw/zinc/77/00/84/1256770084.db2.gz DIXJYJOSRCUHDJ-FVQBIDKESA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082492538 1256785708 /nfs/dbraw/zinc/78/57/08/1256785708.db2.gz ZEKZVTGVIZRRKN-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082524816 1256807824 /nfs/dbraw/zinc/80/78/24/1256807824.db2.gz MRAONWAZJVVJOI-GDBMZVCRSA-N 2 2 359.474 0.431 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)no1 ZINC001082558235 1256855103 /nfs/dbraw/zinc/85/51/03/1256855103.db2.gz GNKQHBKYZDHVDQ-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001082608434 1256919679 /nfs/dbraw/zinc/91/96/79/1256919679.db2.gz WXVKAMHNZDJRQU-UKRRQHHQSA-N 2 2 363.510 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001082608434 1256919685 /nfs/dbraw/zinc/91/96/85/1256919685.db2.gz WXVKAMHNZDJRQU-UKRRQHHQSA-N 2 2 363.510 0.800 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncnn2CC(F)F)C1 ZINC001082646262 1256950427 /nfs/dbraw/zinc/95/04/27/1256950427.db2.gz IJMGTFCLUNWWMI-DGCLKSJQSA-N 2 2 367.404 0.685 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001082646769 1256951837 /nfs/dbraw/zinc/95/18/37/1256951837.db2.gz RFUOQABTHTXJBP-MRVWCRGKSA-N 2 2 362.434 0.919 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001082646506 1256952587 /nfs/dbraw/zinc/95/25/87/1256952587.db2.gz BKLRPFDXOMGMCN-IUODEOHRSA-N 2 2 357.462 0.834 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653648 1256958480 /nfs/dbraw/zinc/95/84/80/1256958480.db2.gz WHHCGOLPYNHNIV-AUKIWBJVSA-N 2 2 361.446 0.178 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)o1 ZINC001082653648 1256958489 /nfs/dbraw/zinc/95/84/89/1256958489.db2.gz WHHCGOLPYNHNIV-AUKIWBJVSA-N 2 2 361.446 0.178 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001082663804 1256966108 /nfs/dbraw/zinc/96/61/08/1256966108.db2.gz GQWKFAXBXKMNDR-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001082663804 1256966109 /nfs/dbraw/zinc/96/61/09/1256966109.db2.gz GQWKFAXBXKMNDR-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082702993 1256993928 /nfs/dbraw/zinc/99/39/28/1256993928.db2.gz RYVIESXQXZTJFQ-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082702993 1256993930 /nfs/dbraw/zinc/99/39/30/1256993930.db2.gz RYVIESXQXZTJFQ-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C)[nH]1 ZINC001082710492 1257003731 /nfs/dbraw/zinc/00/37/31/1257003731.db2.gz WGISVEITYPSIJK-DJSGYFEHSA-N 2 2 357.462 0.817 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082719394 1257008244 /nfs/dbraw/zinc/00/82/44/1257008244.db2.gz FKTUITDGASTKAG-UKRRQHHQSA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001082823991 1257081991 /nfs/dbraw/zinc/08/19/91/1257081991.db2.gz BMFZJLVGXHKZOG-GDBMZVCRSA-N 2 2 367.453 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001082861196 1257112807 /nfs/dbraw/zinc/11/28/07/1257112807.db2.gz NQOKSQGSMHWGLI-XOKHGSTOSA-N 2 2 359.474 0.553 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001082933972 1257154477 /nfs/dbraw/zinc/15/44/77/1257154477.db2.gz RHCWQGLNIZGEAB-BPLDGKMQSA-N 2 2 362.478 0.339 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001082933972 1257154478 /nfs/dbraw/zinc/15/44/78/1257154478.db2.gz RHCWQGLNIZGEAB-BPLDGKMQSA-N 2 2 362.478 0.339 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001082934306 1257154500 /nfs/dbraw/zinc/15/45/00/1257154500.db2.gz HXTHIKWQRPRTQZ-XYPHTWIQSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001082934306 1257154503 /nfs/dbraw/zinc/15/45/03/1257154503.db2.gz HXTHIKWQRPRTQZ-XYPHTWIQSA-N 2 2 364.494 0.264 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082935366 1257155793 /nfs/dbraw/zinc/15/57/93/1257155793.db2.gz XYRNJNSBABGHRJ-KBAYOESNSA-N 2 2 361.490 0.430 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082943548 1257160418 /nfs/dbraw/zinc/16/04/18/1257160418.db2.gz NTCRUXALSZNLLG-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082943548 1257160420 /nfs/dbraw/zinc/16/04/20/1257160420.db2.gz NTCRUXALSZNLLG-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082957797 1257167786 /nfs/dbraw/zinc/16/77/86/1257167786.db2.gz NLUUZRBSWCNUAM-CZUORRHYSA-N 2 2 353.430 0.802 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)N1CCC(C)CC1 ZINC001082957581 1257168002 /nfs/dbraw/zinc/16/80/02/1257168002.db2.gz RGVPTMPPNPWWPQ-IXDOHACOSA-N 2 2 361.490 0.967 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)cn1 ZINC001083065870 1257260226 /nfs/dbraw/zinc/26/02/26/1257260226.db2.gz XICCRKMTRRJFTP-JKSUJKDBSA-N 2 2 358.446 0.230 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)cn1 ZINC001083065870 1257260232 /nfs/dbraw/zinc/26/02/32/1257260232.db2.gz XICCRKMTRRJFTP-JKSUJKDBSA-N 2 2 358.446 0.230 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21 ZINC001083080108 1257277076 /nfs/dbraw/zinc/27/70/76/1257277076.db2.gz GNVXRKJTWKKIPH-FGTMMUONSA-N 2 2 361.490 0.705 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21 ZINC001083080108 1257277080 /nfs/dbraw/zinc/27/70/80/1257277080.db2.gz GNVXRKJTWKKIPH-FGTMMUONSA-N 2 2 361.490 0.705 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@H]2C1 ZINC001083126203 1257364298 /nfs/dbraw/zinc/36/42/98/1257364298.db2.gz COLDBWGAXITFIR-IXDOHACOSA-N 2 2 371.441 0.432 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@H]2C1 ZINC001083126203 1257364305 /nfs/dbraw/zinc/36/43/05/1257364305.db2.gz COLDBWGAXITFIR-IXDOHACOSA-N 2 2 371.441 0.432 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001083151787 1257407422 /nfs/dbraw/zinc/40/74/22/1257407422.db2.gz ULDWISKJDXYCCU-IXDOHACOSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]21 ZINC001083151787 1257407426 /nfs/dbraw/zinc/40/74/26/1257407426.db2.gz ULDWISKJDXYCCU-IXDOHACOSA-N 2 2 362.474 0.691 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001083646288 1257465410 /nfs/dbraw/zinc/46/54/10/1257465410.db2.gz VPTNKKYPTZIPJR-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001083646288 1257465414 /nfs/dbraw/zinc/46/54/14/1257465414.db2.gz VPTNKKYPTZIPJR-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778363 1257518351 /nfs/dbraw/zinc/51/83/51/1257518351.db2.gz JWUHWMJROMYLDJ-UAGQMJEPSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778363 1257518357 /nfs/dbraw/zinc/51/83/57/1257518357.db2.gz JWUHWMJROMYLDJ-UAGQMJEPSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778363 1257518364 /nfs/dbraw/zinc/51/83/64/1257518364.db2.gz JWUHWMJROMYLDJ-UAGQMJEPSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001083778363 1257518373 /nfs/dbraw/zinc/51/83/73/1257518373.db2.gz JWUHWMJROMYLDJ-UAGQMJEPSA-N 2 2 361.490 0.293 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)C1 ZINC001083782585 1257529040 /nfs/dbraw/zinc/52/90/40/1257529040.db2.gz BHAFAWIFIHTYKA-MSOLQXFVSA-N 2 2 361.486 0.959 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@@H]2O)C1 ZINC001083782585 1257529046 /nfs/dbraw/zinc/52/90/46/1257529046.db2.gz BHAFAWIFIHTYKA-MSOLQXFVSA-N 2 2 361.486 0.959 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)C1 ZINC001083782585 1257529048 /nfs/dbraw/zinc/52/90/48/1257529048.db2.gz BHAFAWIFIHTYKA-MSOLQXFVSA-N 2 2 361.486 0.959 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)C1 ZINC001083782585 1257529053 /nfs/dbraw/zinc/52/90/53/1257529053.db2.gz BHAFAWIFIHTYKA-MSOLQXFVSA-N 2 2 361.486 0.959 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083863757 1257625983 /nfs/dbraw/zinc/62/59/83/1257625983.db2.gz IIHVHGPLQBRELL-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083955141 1257744426 /nfs/dbraw/zinc/74/44/26/1257744426.db2.gz YFHPFMCDTYKSOK-MSOLQXFVSA-N 2 2 357.458 0.390 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083955141 1257744432 /nfs/dbraw/zinc/74/44/32/1257744432.db2.gz YFHPFMCDTYKSOK-MSOLQXFVSA-N 2 2 357.458 0.390 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001084057285 1257867746 /nfs/dbraw/zinc/86/77/46/1257867746.db2.gz DGZJJDMRJDKYMS-CVEARBPZSA-N 2 2 361.442 0.215 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001084057285 1257867753 /nfs/dbraw/zinc/86/77/53/1257867753.db2.gz DGZJJDMRJDKYMS-CVEARBPZSA-N 2 2 361.442 0.215 20 0 FCADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058235 1257870034 /nfs/dbraw/zinc/87/00/34/1257870034.db2.gz QJXXJKYCFUIZSY-MOPGFXCFSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058235 1257870039 /nfs/dbraw/zinc/87/00/39/1257870039.db2.gz QJXXJKYCFUIZSY-MOPGFXCFSA-N 2 2 361.486 0.939 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084058350 1257873538 /nfs/dbraw/zinc/87/35/38/1257873538.db2.gz WQYGLYDWDODHMV-MSOLQXFVSA-N 2 2 363.458 0.331 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084058350 1257873544 /nfs/dbraw/zinc/87/35/44/1257873544.db2.gz WQYGLYDWDODHMV-MSOLQXFVSA-N 2 2 363.458 0.331 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001084060015 1257874982 /nfs/dbraw/zinc/87/49/82/1257874982.db2.gz CINOPUTWZWEAON-CVEARBPZSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001084060015 1257874994 /nfs/dbraw/zinc/87/49/94/1257874994.db2.gz CINOPUTWZWEAON-CVEARBPZSA-N 2 2 362.405 0.571 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001084059743 1257875793 /nfs/dbraw/zinc/87/57/93/1257875793.db2.gz WXGZCMAFRRYIFM-FGTMMUONSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001084059743 1257875805 /nfs/dbraw/zinc/87/58/05/1257875805.db2.gz WXGZCMAFRRYIFM-FGTMMUONSA-N 2 2 358.442 0.741 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084465811 1258120909 /nfs/dbraw/zinc/12/09/09/1258120909.db2.gz VJKPZTLUQUMTBS-SOLBZPMBSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084465811 1258120911 /nfs/dbraw/zinc/12/09/11/1258120911.db2.gz VJKPZTLUQUMTBS-SOLBZPMBSA-N 2 2 354.458 0.875 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1)N1CCCC1 ZINC001084484273 1258129078 /nfs/dbraw/zinc/12/90/78/1258129078.db2.gz MAGLTDBHGJVRIP-IAGOWNOFSA-N 2 2 360.502 0.770 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1)N1CCCC1 ZINC001084484273 1258129082 /nfs/dbraw/zinc/12/90/82/1258129082.db2.gz MAGLTDBHGJVRIP-IAGOWNOFSA-N 2 2 360.502 0.770 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001084523526 1258149008 /nfs/dbraw/zinc/14/90/08/1258149008.db2.gz KVEUNWUFZJCACQ-IAGOWNOFSA-N 2 2 359.474 0.737 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001084523526 1258149013 /nfs/dbraw/zinc/14/90/13/1258149013.db2.gz KVEUNWUFZJCACQ-IAGOWNOFSA-N 2 2 359.474 0.737 20 0 FCADLP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001084521628 1258149791 /nfs/dbraw/zinc/14/97/91/1258149791.db2.gz NZGZOELRHHJCJG-XOKHGSTOSA-N 2 2 353.426 0.711 20 0 FCADLP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccc5c[nH+]cn5c4)[C@@H]3C2)C1=O ZINC001084521628 1258149794 /nfs/dbraw/zinc/14/97/94/1258149794.db2.gz NZGZOELRHHJCJG-XOKHGSTOSA-N 2 2 353.426 0.711 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)NC1CC1 ZINC001084522179 1258149844 /nfs/dbraw/zinc/14/98/44/1258149844.db2.gz OIDUBNSBWLKAQO-CXAGYDPISA-N 2 2 353.426 0.759 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1)NC1CC1 ZINC001084522179 1258149847 /nfs/dbraw/zinc/14/98/47/1258149847.db2.gz OIDUBNSBWLKAQO-CXAGYDPISA-N 2 2 353.426 0.759 20 0 FCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532699 1258155645 /nfs/dbraw/zinc/15/56/45/1258155645.db2.gz KKWRSOFNZMVZLJ-GYRQIHPOSA-N 2 2 371.485 0.316 20 0 FCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532699 1258155648 /nfs/dbraw/zinc/15/56/48/1258155648.db2.gz KKWRSOFNZMVZLJ-GYRQIHPOSA-N 2 2 371.485 0.316 20 0 FCADLP Cn1nccc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532699 1258155652 /nfs/dbraw/zinc/15/56/52/1258155652.db2.gz KKWRSOFNZMVZLJ-GYRQIHPOSA-N 2 2 371.485 0.316 20 0 FCADLP Cn1nccc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532699 1258155659 /nfs/dbraw/zinc/15/56/59/1258155659.db2.gz KKWRSOFNZMVZLJ-GYRQIHPOSA-N 2 2 371.485 0.316 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001084613046 1258199443 /nfs/dbraw/zinc/19/94/43/1258199443.db2.gz YRIWXLLAXFIBLH-SOLBZPMBSA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N4CCC4)C[C@H]31)CC2 ZINC001084613046 1258199446 /nfs/dbraw/zinc/19/94/46/1258199446.db2.gz YRIWXLLAXFIBLH-SOLBZPMBSA-N 2 2 371.485 0.519 20 0 FCADLP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4occc4C[NH+](C)C)[C@@H]3C2)C1=O ZINC001084614289 1258201139 /nfs/dbraw/zinc/20/11/39/1258201139.db2.gz OFKCTCKNQFOKBB-VNQPRFMTSA-N 2 2 360.458 0.718 20 0 FCADLP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4occc4C[NH+](C)C)[C@@H]3C2)C1=O ZINC001084614289 1258201142 /nfs/dbraw/zinc/20/11/42/1258201142.db2.gz OFKCTCKNQFOKBB-VNQPRFMTSA-N 2 2 360.458 0.718 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001084832643 1258377357 /nfs/dbraw/zinc/37/73/57/1258377357.db2.gz QDLJNEASLHLJIK-QZTJIDSGSA-N 2 2 362.518 0.873 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)CC1 ZINC001084832643 1258377366 /nfs/dbraw/zinc/37/73/66/1258377366.db2.gz QDLJNEASLHLJIK-QZTJIDSGSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001084833966 1258379763 /nfs/dbraw/zinc/37/97/63/1258379763.db2.gz DUALGEFZTKVMGR-CGTJXYLNSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001084833966 1258379772 /nfs/dbraw/zinc/37/97/72/1258379772.db2.gz DUALGEFZTKVMGR-CGTJXYLNSA-N 2 2 361.490 0.421 20 0 FCADLP Cn1[nH]c(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCC[NH+]4C)C[C@@H]32)nc1=O ZINC001084972340 1258484888 /nfs/dbraw/zinc/48/48/88/1258484888.db2.gz XJEOVDVUQNSEFX-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCC[NH+]4C)C[C@@H]32)nc1=O ZINC001084972340 1258484891 /nfs/dbraw/zinc/48/48/91/1258484891.db2.gz XJEOVDVUQNSEFX-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCC[N@@H+]4C)C[C@@H]32)nc1=O ZINC001084972340 1258484895 /nfs/dbraw/zinc/48/48/95/1258484895.db2.gz XJEOVDVUQNSEFX-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CCCC[N@H+]4C)C[C@@H]32)nc1=O ZINC001084972340 1258484899 /nfs/dbraw/zinc/48/48/99/1258484899.db2.gz XJEOVDVUQNSEFX-KFWWJZLASA-N 2 2 362.478 0.016 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC001085043975 1258542257 /nfs/dbraw/zinc/54/22/57/1258542257.db2.gz QJLSACUOQLMAJJ-CJNGLKHVSA-N 2 2 356.430 0.874 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC001085043975 1258542260 /nfs/dbraw/zinc/54/22/60/1258542260.db2.gz QJLSACUOQLMAJJ-CJNGLKHVSA-N 2 2 356.430 0.874 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)n1C ZINC001085158996 1258611897 /nfs/dbraw/zinc/61/18/97/1258611897.db2.gz DOKWIGICXKRVKJ-RBSFLKMASA-N 2 2 364.494 0.225 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1C ZINC001085158996 1258611904 /nfs/dbraw/zinc/61/19/04/1258611904.db2.gz DOKWIGICXKRVKJ-RBSFLKMASA-N 2 2 364.494 0.225 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085158900 1258612386 /nfs/dbraw/zinc/61/23/86/1258612386.db2.gz AOOBRMYARHBTAH-BZUAXINKSA-N 2 2 364.494 0.707 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085158900 1258612391 /nfs/dbraw/zinc/61/23/91/1258612391.db2.gz AOOBRMYARHBTAH-BZUAXINKSA-N 2 2 364.494 0.707 20 0 FCADLP COc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001085159488 1258614139 /nfs/dbraw/zinc/61/41/39/1258614139.db2.gz WQCOUKRFBHEULY-KURKYZTESA-N 2 2 362.474 0.938 20 0 FCADLP COc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001085159488 1258614145 /nfs/dbraw/zinc/61/41/45/1258614145.db2.gz WQCOUKRFBHEULY-KURKYZTESA-N 2 2 362.474 0.938 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001088120921 1258651497 /nfs/dbraw/zinc/65/14/97/1258651497.db2.gz FUCWJRYNBOWBBF-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001088120921 1258651502 /nfs/dbraw/zinc/65/15/02/1258651502.db2.gz FUCWJRYNBOWBBF-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)co1 ZINC001088140552 1258652900 /nfs/dbraw/zinc/65/29/00/1258652900.db2.gz RRFLUBNRJSTSDR-SJORKVTESA-N 2 2 362.474 0.986 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)co1 ZINC001088140552 1258652903 /nfs/dbraw/zinc/65/29/03/1258652903.db2.gz RRFLUBNRJSTSDR-SJORKVTESA-N 2 2 362.474 0.986 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](Cc3ncccn3)CC[C@@H]2C1 ZINC001088140475 1258653812 /nfs/dbraw/zinc/65/38/12/1258653812.db2.gz NNINETFGHKRYFK-SJORKVTESA-N 2 2 359.474 0.479 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](Cc3ncccn3)CC[C@@H]2C1 ZINC001088140475 1258653822 /nfs/dbraw/zinc/65/38/22/1258653822.db2.gz NNINETFGHKRYFK-SJORKVTESA-N 2 2 359.474 0.479 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151766 1258662679 /nfs/dbraw/zinc/66/26/79/1258662679.db2.gz SWFYMBYOOKZEKS-PMPSAXMXSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151766 1258662685 /nfs/dbraw/zinc/66/26/85/1258662685.db2.gz SWFYMBYOOKZEKS-PMPSAXMXSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088170991 1258689681 /nfs/dbraw/zinc/68/96/81/1258689681.db2.gz RERLTJCMIVEKAK-ZNMIVQPWSA-N 2 2 361.490 0.944 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088170991 1258689690 /nfs/dbraw/zinc/68/96/90/1258689690.db2.gz RERLTJCMIVEKAK-ZNMIVQPWSA-N 2 2 361.490 0.944 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088170120 1258690495 /nfs/dbraw/zinc/69/04/95/1258690495.db2.gz FSBHSXUMDULRFK-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088170120 1258690501 /nfs/dbraw/zinc/69/05/01/1258690501.db2.gz FSBHSXUMDULRFK-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088170120 1258690507 /nfs/dbraw/zinc/69/05/07/1258690507.db2.gz FSBHSXUMDULRFK-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088170120 1258690513 /nfs/dbraw/zinc/69/05/13/1258690513.db2.gz FSBHSXUMDULRFK-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088172780 1258693173 /nfs/dbraw/zinc/69/31/73/1258693173.db2.gz DYHACKXCVJSGSA-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088172780 1258693178 /nfs/dbraw/zinc/69/31/78/1258693178.db2.gz DYHACKXCVJSGSA-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)n1 ZINC001088211309 1258734091 /nfs/dbraw/zinc/73/40/91/1258734091.db2.gz CTFPKJQZCPZUKZ-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@@H]3C2)n1 ZINC001088211309 1258734104 /nfs/dbraw/zinc/73/41/04/1258734104.db2.gz CTFPKJQZCPZUKZ-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421284 1258758805 /nfs/dbraw/zinc/75/88/05/1258758805.db2.gz RXCZLDOOSMVYDY-IJEWVQPXSA-N 2 2 365.478 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421284 1258758810 /nfs/dbraw/zinc/75/88/10/1258758810.db2.gz RXCZLDOOSMVYDY-IJEWVQPXSA-N 2 2 365.478 0.896 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421284 1258758815 /nfs/dbraw/zinc/75/88/15/1258758815.db2.gz RXCZLDOOSMVYDY-IJEWVQPXSA-N 2 2 365.478 0.896 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421284 1258758818 /nfs/dbraw/zinc/75/88/18/1258758818.db2.gz RXCZLDOOSMVYDY-IJEWVQPXSA-N 2 2 365.478 0.896 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091153947 1258793655 /nfs/dbraw/zinc/79/36/55/1258793655.db2.gz UEUPOGDQWDVTRP-KFWWJZLASA-N 2 2 367.469 0.693 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091156621 1258795910 /nfs/dbraw/zinc/79/59/10/1258795910.db2.gz QYUDIAFLTDHMLO-HLLBOEOZSA-N 2 2 359.474 0.668 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782762 1258843809 /nfs/dbraw/zinc/84/38/09/1258843809.db2.gz ZFCASKGOEIHPGA-TZMCWYRMSA-N 2 2 369.429 0.254 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782762 1258843817 /nfs/dbraw/zinc/84/38/17/1258843817.db2.gz ZFCASKGOEIHPGA-TZMCWYRMSA-N 2 2 369.429 0.254 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001098286896 1258900625 /nfs/dbraw/zinc/90/06/25/1258900625.db2.gz RUKHQHANVZCTQM-ABFRBSLYSA-N 2 2 359.474 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001098286896 1258900626 /nfs/dbraw/zinc/90/06/26/1258900626.db2.gz RUKHQHANVZCTQM-ABFRBSLYSA-N 2 2 359.474 0.898 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104362979 1258915833 /nfs/dbraw/zinc/91/58/33/1258915833.db2.gz SUICWZQDKILPEH-IXDOHACOSA-N 2 2 371.489 0.811 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105648450 1258921849 /nfs/dbraw/zinc/92/18/49/1258921849.db2.gz YHNAAQPKCCIVTL-RWQQGDIJSA-N 2 2 364.490 0.622 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106575065 1258925015 /nfs/dbraw/zinc/92/50/15/1258925015.db2.gz UYYHPMYNRQNOJK-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106575065 1258925020 /nfs/dbraw/zinc/92/50/20/1258925020.db2.gz UYYHPMYNRQNOJK-INMHGKMJSA-N 2 2 366.506 0.060 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]Cc2nnn(C)n2)[C@H](C)C1 ZINC001106765903 1258958184 /nfs/dbraw/zinc/95/81/84/1258958184.db2.gz YQVFSCJJIOOBEF-UKRRQHHQSA-N 2 2 360.466 0.380 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001106799855 1258965974 /nfs/dbraw/zinc/96/59/74/1258965974.db2.gz UFIXRMOCZKEVEI-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001106804505 1258966748 /nfs/dbraw/zinc/96/67/48/1258966748.db2.gz XRGWPKUCQWXULD-ZIAGYGMSSA-N 2 2 371.441 0.981 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877129 1258984853 /nfs/dbraw/zinc/98/48/53/1258984853.db2.gz OFQYRXMYSXJDGN-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106874784 1258984999 /nfs/dbraw/zinc/98/49/99/1258984999.db2.gz SOUWTZNGOCFBLD-ZIAGYGMSSA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C1CC1 ZINC001106877279 1258985934 /nfs/dbraw/zinc/98/59/34/1258985934.db2.gz VPYQKMKPTQPTPY-IIAWOOMASA-N 2 2 361.490 0.561 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC001106922569 1258996831 /nfs/dbraw/zinc/99/68/31/1258996831.db2.gz IFWYQJKIIXQPQI-MLGOLLRUSA-N 2 2 359.478 0.853 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001107045162 1259024399 /nfs/dbraw/zinc/02/43/99/1259024399.db2.gz YXRMHYQOUJPGDC-KBAYOESNSA-N 2 2 364.490 0.377 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)N1CCCCC1 ZINC001107078213 1259029964 /nfs/dbraw/zinc/02/99/64/1259029964.db2.gz DHWDWHMXTIVAGN-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC001107413833 1259078694 /nfs/dbraw/zinc/07/86/94/1259078694.db2.gz VGWGVANROMMCKA-DNVCBOLYSA-N 2 2 359.474 0.608 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC001107413833 1259078699 /nfs/dbraw/zinc/07/86/99/1259078699.db2.gz VGWGVANROMMCKA-DNVCBOLYSA-N 2 2 359.474 0.608 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107432940 1259086403 /nfs/dbraw/zinc/08/64/03/1259086403.db2.gz GLVJYNMPFQRGDH-SJLPKXTDSA-N 2 2 357.462 0.995 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107432940 1259086410 /nfs/dbraw/zinc/08/64/10/1259086410.db2.gz GLVJYNMPFQRGDH-SJLPKXTDSA-N 2 2 357.462 0.995 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107432940 1259086416 /nfs/dbraw/zinc/08/64/16/1259086416.db2.gz GLVJYNMPFQRGDH-SJLPKXTDSA-N 2 2 357.462 0.995 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107432940 1259086421 /nfs/dbraw/zinc/08/64/21/1259086421.db2.gz GLVJYNMPFQRGDH-SJLPKXTDSA-N 2 2 357.462 0.995 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001107472921 1259098997 /nfs/dbraw/zinc/09/89/97/1259098997.db2.gz QVFIMJOIJJPRKD-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001107472921 1259099004 /nfs/dbraw/zinc/09/90/04/1259099004.db2.gz QVFIMJOIJJPRKD-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)[nH]1 ZINC001107609590 1259134199 /nfs/dbraw/zinc/13/41/99/1259134199.db2.gz YBRVASUNBPJLSE-CRAIPNDOSA-N 2 2 364.494 0.552 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)COCC[NH+](C)C)CCC[C@@H]23)[nH]1 ZINC001107609590 1259134204 /nfs/dbraw/zinc/13/42/04/1259134204.db2.gz YBRVASUNBPJLSE-CRAIPNDOSA-N 2 2 364.494 0.552 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOC3CCC3)CCO2)O1 ZINC001108024978 1259152640 /nfs/dbraw/zinc/15/26/40/1259152640.db2.gz RVTGSTJLVBUNBY-SUMDDJOVSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@]2(C)C[NH+](CCOC3CCC3)CCO2)O1 ZINC001108024978 1259152643 /nfs/dbraw/zinc/15/26/43/1259152643.db2.gz RVTGSTJLVBUNBY-SUMDDJOVSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@H+](CCOC3CCC3)CCO2)O1 ZINC001108024978 1259152647 /nfs/dbraw/zinc/15/26/47/1259152647.db2.gz RVTGSTJLVBUNBY-SUMDDJOVSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CCOC3CCC3)CCO2)O1 ZINC001108024978 1259152651 /nfs/dbraw/zinc/15/26/51/1259152651.db2.gz RVTGSTJLVBUNBY-SUMDDJOVSA-N 2 2 369.506 0.482 20 0 FCADLP CCCCOCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024569 1259152811 /nfs/dbraw/zinc/15/28/11/1259152811.db2.gz MOYLALGRUHQSTE-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP CCCCOCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024569 1259152815 /nfs/dbraw/zinc/15/28/15/1259152815.db2.gz MOYLALGRUHQSTE-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP CCCCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024569 1259152819 /nfs/dbraw/zinc/15/28/19/1259152819.db2.gz MOYLALGRUHQSTE-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP CCCCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024569 1259152823 /nfs/dbraw/zinc/15/28/23/1259152823.db2.gz MOYLALGRUHQSTE-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403614 1259158329 /nfs/dbraw/zinc/15/83/29/1259158329.db2.gz PRUUUZCCJKXZFB-RDBSUJKOSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403614 1259158335 /nfs/dbraw/zinc/15/83/35/1259158335.db2.gz PRUUUZCCJKXZFB-RDBSUJKOSA-N 2 2 365.478 0.038 20 0 FCADLP O=C(N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)C1([NH+]2CCOCC2)CCCC1 ZINC001112539364 1259164230 /nfs/dbraw/zinc/16/42/30/1259164230.db2.gz WMBJSRFWSVPBMS-HKUYNNGSSA-N 2 2 365.518 0.842 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128961310 1259274393 /nfs/dbraw/zinc/27/43/93/1259274393.db2.gz BMRKPZPIPMZUOX-KFWWJZLASA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128961310 1259274405 /nfs/dbraw/zinc/27/44/05/1259274405.db2.gz BMRKPZPIPMZUOX-KFWWJZLASA-N 2 2 359.434 0.012 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064695 1259303529 /nfs/dbraw/zinc/30/35/29/1259303529.db2.gz LSSQMRQSNGJTGN-ZACQAIPSSA-N 2 2 364.494 0.529 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064695 1259303536 /nfs/dbraw/zinc/30/35/36/1259303536.db2.gz LSSQMRQSNGJTGN-ZACQAIPSSA-N 2 2 364.494 0.529 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064695 1259303546 /nfs/dbraw/zinc/30/35/46/1259303546.db2.gz LSSQMRQSNGJTGN-ZACQAIPSSA-N 2 2 364.494 0.529 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064695 1259303554 /nfs/dbraw/zinc/30/35/54/1259303554.db2.gz LSSQMRQSNGJTGN-ZACQAIPSSA-N 2 2 364.494 0.529 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139031 1259324890 /nfs/dbraw/zinc/32/48/90/1259324890.db2.gz DEBAIXISUFGCOA-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139031 1259324897 /nfs/dbraw/zinc/32/48/97/1259324897.db2.gz DEBAIXISUFGCOA-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271777 1259362451 /nfs/dbraw/zinc/36/24/51/1259362451.db2.gz NPQYXWYVSWRUQL-IKGGRYGDSA-N 2 2 357.462 0.555 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271777 1259362457 /nfs/dbraw/zinc/36/24/57/1259362457.db2.gz NPQYXWYVSWRUQL-IKGGRYGDSA-N 2 2 357.462 0.555 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCOC[C@H](O)C2)c1C ZINC001141565169 1259379600 /nfs/dbraw/zinc/37/96/00/1259379600.db2.gz WHAOPVSHJNXMAM-MRXNPFEDSA-N 2 2 366.506 0.896 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCOC[C@H](O)C2)c1C ZINC001141565169 1259379605 /nfs/dbraw/zinc/37/96/05/1259379605.db2.gz WHAOPVSHJNXMAM-MRXNPFEDSA-N 2 2 366.506 0.896 20 0 FCADLP CON(C)C(=O)[C@H]1CCc2cc(NC(=[NH2+])N3CC[NH+](C)CC3)ccc2O1 ZINC001168746624 1259391085 /nfs/dbraw/zinc/39/10/85/1259391085.db2.gz ZYWFHUBUNNAKFP-MRXNPFEDSA-N 2 2 361.446 0.994 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419277 1259498658 /nfs/dbraw/zinc/49/86/58/1259498658.db2.gz YHIIEBISUMCSOE-USXIJHARSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419277 1259498663 /nfs/dbraw/zinc/49/86/63/1259498663.db2.gz YHIIEBISUMCSOE-USXIJHARSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419277 1259498667 /nfs/dbraw/zinc/49/86/67/1259498667.db2.gz YHIIEBISUMCSOE-USXIJHARSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419277 1259498671 /nfs/dbraw/zinc/49/86/71/1259498671.db2.gz YHIIEBISUMCSOE-USXIJHARSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430223 1259503028 /nfs/dbraw/zinc/50/30/28/1259503028.db2.gz FVLVHMIDJAHEKO-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430223 1259503032 /nfs/dbraw/zinc/50/30/32/1259503032.db2.gz FVLVHMIDJAHEKO-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430223 1259503035 /nfs/dbraw/zinc/50/30/35/1259503035.db2.gz FVLVHMIDJAHEKO-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430223 1259503038 /nfs/dbraw/zinc/50/30/38/1259503038.db2.gz FVLVHMIDJAHEKO-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451383 1259510552 /nfs/dbraw/zinc/51/05/52/1259510552.db2.gz WDUJKKFSUSTRHW-VDHUWJSZSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212451383 1259510554 /nfs/dbraw/zinc/51/05/54/1259510554.db2.gz WDUJKKFSUSTRHW-VDHUWJSZSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001212451383 1259510558 /nfs/dbraw/zinc/51/05/58/1259510558.db2.gz WDUJKKFSUSTRHW-VDHUWJSZSA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212451383 1259510561 /nfs/dbraw/zinc/51/05/61/1259510561.db2.gz WDUJKKFSUSTRHW-VDHUWJSZSA-N 2 2 369.506 0.338 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1OC)[NH+](C)C ZINC001212462972 1259516557 /nfs/dbraw/zinc/51/65/57/1259516557.db2.gz MSHGNVCKRXRACM-KZNAEPCWSA-N 2 2 367.465 0.974 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1OC)[NH+](C)C ZINC001212462972 1259516563 /nfs/dbraw/zinc/51/65/63/1259516563.db2.gz MSHGNVCKRXRACM-KZNAEPCWSA-N 2 2 367.465 0.974 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483535 1259520081 /nfs/dbraw/zinc/52/00/81/1259520081.db2.gz MANCTLJOKBYBST-ARFHVFGLSA-N 2 2 370.538 0.789 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483535 1259520082 /nfs/dbraw/zinc/52/00/82/1259520082.db2.gz MANCTLJOKBYBST-ARFHVFGLSA-N 2 2 370.538 0.789 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483535 1259520085 /nfs/dbraw/zinc/52/00/85/1259520085.db2.gz MANCTLJOKBYBST-ARFHVFGLSA-N 2 2 370.538 0.789 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483535 1259520086 /nfs/dbraw/zinc/52/00/86/1259520086.db2.gz MANCTLJOKBYBST-ARFHVFGLSA-N 2 2 370.538 0.789 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212486792 1259522404 /nfs/dbraw/zinc/52/24/04/1259522404.db2.gz DNLQAJYACPZMDF-HUUCEWRRSA-N 2 2 370.538 0.837 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212486792 1259522408 /nfs/dbraw/zinc/52/24/08/1259522408.db2.gz DNLQAJYACPZMDF-HUUCEWRRSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212486792 1259522412 /nfs/dbraw/zinc/52/24/12/1259522412.db2.gz DNLQAJYACPZMDF-HUUCEWRRSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212486792 1259522416 /nfs/dbraw/zinc/52/24/16/1259522416.db2.gz DNLQAJYACPZMDF-HUUCEWRRSA-N 2 2 370.538 0.837 20 0 FCADLP COC(=O)c1ccnc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001235207196 1259569036 /nfs/dbraw/zinc/56/90/36/1259569036.db2.gz KMIYCUCDRABNCM-UHFFFAOYSA-N 2 2 360.458 0.854 20 0 FCADLP CC(C)(C)OC(=O)NCC[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235205564 1259569394 /nfs/dbraw/zinc/56/93/94/1259569394.db2.gz NQIHPXJFQBJOPV-UHFFFAOYSA-N 2 2 367.494 0.985 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)O1 ZINC001235573564 1259578170 /nfs/dbraw/zinc/57/81/70/1259578170.db2.gz RFFIGGRLGJJCIQ-HNNXBMFYSA-N 2 2 361.446 0.399 20 0 FCADLP CC1([NH+]2CCN(Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)CC[NH2+]CC1 ZINC001235819752 1259583040 /nfs/dbraw/zinc/58/30/40/1259583040.db2.gz HRAORJABNLKKKE-UHFFFAOYSA-N 3 2 358.534 0.751 20 0 FCADLP CC1(N2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)nc3)CC2)CC[NH2+]CC1 ZINC001235819752 1259583046 /nfs/dbraw/zinc/58/30/46/1259583046.db2.gz HRAORJABNLKKKE-UHFFFAOYSA-N 3 2 358.534 0.751 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(N)ccnc3F)CC[C@@H]2C1 ZINC001238151353 1259613719 /nfs/dbraw/zinc/61/37/19/1259613719.db2.gz BJSLCZCIWXHHHZ-CZUORRHYSA-N 2 2 365.453 0.414 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3c(N)ccnc3F)CC[C@@H]2C1 ZINC001238151353 1259613728 /nfs/dbraw/zinc/61/37/28/1259613728.db2.gz BJSLCZCIWXHHHZ-CZUORRHYSA-N 2 2 365.453 0.414 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3c(N)ccnc3F)CC[C@@H]2C1 ZINC001238151353 1259613736 /nfs/dbraw/zinc/61/37/36/1259613736.db2.gz BJSLCZCIWXHHHZ-CZUORRHYSA-N 2 2 365.453 0.414 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(N)ccnc3F)CC[C@@H]2C1 ZINC001238151353 1259613746 /nfs/dbraw/zinc/61/37/46/1259613746.db2.gz BJSLCZCIWXHHHZ-CZUORRHYSA-N 2 2 365.453 0.414 20 0 FCADLP C[NH+]1CCN(c2ncc(-c3cnn(CC[NH+]4CCOCC4)c3)cn2)CC1 ZINC001240542589 1259628251 /nfs/dbraw/zinc/62/82/51/1259628251.db2.gz PCHMCWBZDFECQM-UHFFFAOYSA-N 2 2 357.462 0.424 20 0 FCADLP [NH3+]CC1C[NH+]([C@H]2CCCN(C[C@@H](O)[C@@H]([NH3+])Cc3cc(F)cc(F)c3)C2)C1 ZINC001246049357 1259646023 /nfs/dbraw/zinc/64/60/23/1259646023.db2.gz QTKSJMPOHQAAJF-GBESFXJTSA-N 3 2 368.472 0.550 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CN1 ZINC001246077309 1259647879 /nfs/dbraw/zinc/64/78/79/1259647879.db2.gz SOJXDBIEVWNXRE-AEFFLSMTSA-N 2 2 363.458 0.391 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C[NH2+]1 ZINC001246735531 1259671919 /nfs/dbraw/zinc/67/19/19/1259671919.db2.gz UEKUFBGJSURXFF-FJIDUMEYSA-N 2 2 360.458 0.260 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C[NH2+]1 ZINC001246735531 1259671928 /nfs/dbraw/zinc/67/19/28/1259671928.db2.gz UEKUFBGJSURXFF-FJIDUMEYSA-N 2 2 360.458 0.260 20 0 FCADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1[NH3+] ZINC001246929451 1259696145 /nfs/dbraw/zinc/69/61/45/1259696145.db2.gz DGNYHTHVIPRRIX-JEQQUTEPSA-N 2 2 359.470 0.851 20 0 FCADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1[NH3+] ZINC001246929451 1259696150 /nfs/dbraw/zinc/69/61/50/1259696150.db2.gz DGNYHTHVIPRRIX-JEQQUTEPSA-N 2 2 359.470 0.851 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2cccc3c2CCC3=O)no1 ZINC001247332090 1259700288 /nfs/dbraw/zinc/70/02/88/1259700288.db2.gz IPGQJVVRGPGVNT-AWEZNQCLSA-N 2 2 366.381 0.775 20 0 FCADLP C[NH+]1CCN(c2cccc(-c3noc([C@H]([NH3+])CCCNC(N)=O)n3)c2)CC1 ZINC001247702198 1259705634 /nfs/dbraw/zinc/70/56/34/1259705634.db2.gz AWXDZVCBVQQVGN-OAHLLOKOSA-N 2 2 373.461 0.937 20 0 FCADLP COC(=O)[C@@H]1CCC[N@@H+](C2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024079 1259733188 /nfs/dbraw/zinc/73/31/88/1259733188.db2.gz MEUUBCJFCHKSAP-AEFFLSMTSA-N 2 2 369.506 0.029 20 0 FCADLP COC(=O)[C@@H]1CCC[N@H+](C2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024079 1259733192 /nfs/dbraw/zinc/73/31/92/1259733192.db2.gz MEUUBCJFCHKSAP-AEFFLSMTSA-N 2 2 369.506 0.029 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001251751918 1259758649 /nfs/dbraw/zinc/75/86/49/1259758649.db2.gz RALLOYTVVXWJFA-SFHVURJKSA-N 2 2 373.501 0.763 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001251751918 1259758655 /nfs/dbraw/zinc/75/86/55/1259758655.db2.gz RALLOYTVVXWJFA-SFHVURJKSA-N 2 2 373.501 0.763 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252678537 1259804131 /nfs/dbraw/zinc/80/41/31/1259804131.db2.gz QYIRPTJMXYPZQI-KRWDZBQOSA-N 2 2 364.490 0.831 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252678537 1259804134 /nfs/dbraw/zinc/80/41/34/1259804134.db2.gz QYIRPTJMXYPZQI-KRWDZBQOSA-N 2 2 364.490 0.831 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001253186666 1259829510 /nfs/dbraw/zinc/82/95/10/1259829510.db2.gz QXCPXKXJUACFGK-QYZOEREBSA-N 2 2 368.522 0.771 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001253186666 1259829514 /nfs/dbraw/zinc/82/95/14/1259829514.db2.gz QXCPXKXJUACFGK-QYZOEREBSA-N 2 2 368.522 0.771 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790059 1259841239 /nfs/dbraw/zinc/84/12/39/1259841239.db2.gz HIJMKARNSJAZIG-ZFWWWQNUSA-N 2 2 370.494 0.157 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790059 1259841241 /nfs/dbraw/zinc/84/12/41/1259841241.db2.gz HIJMKARNSJAZIG-ZFWWWQNUSA-N 2 2 370.494 0.157 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898266 /nfs/dbraw/zinc/89/82/66/1259898266.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898274 /nfs/dbraw/zinc/89/82/74/1259898274.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898283 /nfs/dbraw/zinc/89/82/83/1259898283.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC4CCN(CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898289 /nfs/dbraw/zinc/89/82/89/1259898289.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898300 /nfs/dbraw/zinc/89/83/00/1259898300.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 2 2 364.534 0.582 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN([C@H]3CC4CC[NH+](CC4)C3)CC[C@@H]2C1 ZINC001254856644 1259898306 /nfs/dbraw/zinc/89/83/06/1259898306.db2.gz IODYXFLGWPJKNY-CEXWTWQISA-N 2 2 364.534 0.582 20 0 FCADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001255955940 1259928392 /nfs/dbraw/zinc/92/83/92/1259928392.db2.gz XUASIYNGORGBBS-PBHICJAKSA-N 2 2 364.490 0.615 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001256255280 1259941233 /nfs/dbraw/zinc/94/12/33/1259941233.db2.gz SJERUNJLRIAEDD-CHWSQXEVSA-N 2 2 369.466 0.309 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001256956647 1259983809 /nfs/dbraw/zinc/98/38/09/1259983809.db2.gz UWSNWQLQJOVQJT-KRWDZBQOSA-N 2 2 371.485 0.995 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001256956647 1259983817 /nfs/dbraw/zinc/98/38/17/1259983817.db2.gz UWSNWQLQJOVQJT-KRWDZBQOSA-N 2 2 371.485 0.995 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCc3c(nnn3-c3ccccc3)C2)CC1 ZINC001336192359 1260034477 /nfs/dbraw/zinc/03/44/77/1260034477.db2.gz KCWVZCMIEMTFJX-UHFFFAOYSA-N 2 2 369.473 0.758 20 0 FCADLP Cc1ccnc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001336693572 1260203635 /nfs/dbraw/zinc/20/36/35/1260203635.db2.gz SDGIKVFQSFVOGR-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccnc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001336693572 1260203641 /nfs/dbraw/zinc/20/36/41/1260203641.db2.gz SDGIKVFQSFVOGR-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001261945814 1260227886 /nfs/dbraw/zinc/22/78/86/1260227886.db2.gz IQJIUQKUVRYWFS-UHFFFAOYSA-N 2 2 373.501 0.681 20 0 FCADLP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC001262063663 1260254144 /nfs/dbraw/zinc/25/41/44/1260254144.db2.gz FTEYGVCGTJDXAL-AWEZNQCLSA-N 2 2 359.405 0.838 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262365681 1260308858 /nfs/dbraw/zinc/30/88/58/1260308858.db2.gz JCQBOGWTZQHEIX-ZACQAIPSSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001262365681 1260308867 /nfs/dbraw/zinc/30/88/67/1260308867.db2.gz JCQBOGWTZQHEIX-ZACQAIPSSA-N 2 2 359.474 0.901 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001264002212 1260362078 /nfs/dbraw/zinc/36/20/78/1260362078.db2.gz ZIRUGMAMFUYCCF-HIFRSBDPSA-N 2 2 371.445 0.598 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001337440049 1260401416 /nfs/dbraw/zinc/40/14/16/1260401416.db2.gz BFGLGHKJGPDZKT-SHTZXODSSA-N 2 2 373.501 0.691 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001272746352 1260497120 /nfs/dbraw/zinc/49/71/20/1260497120.db2.gz ZEUIHFDAYHKUSD-UHFFFAOYSA-N 2 2 355.442 0.961 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC[NH+](C)CC2)n(C)n1 ZINC001272868358 1260521538 /nfs/dbraw/zinc/52/15/38/1260521538.db2.gz QGIRXGYHDQDJLQ-ROUUACIJSA-N 2 2 360.506 0.151 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC[NH+](C)CC2)n(C)n1 ZINC001272868358 1260521541 /nfs/dbraw/zinc/52/15/41/1260521541.db2.gz QGIRXGYHDQDJLQ-ROUUACIJSA-N 2 2 360.506 0.151 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1=O ZINC001273191472 1260619123 /nfs/dbraw/zinc/61/91/23/1260619123.db2.gz DUHFHHGQZFVGKH-ZRGWGRIASA-N 2 2 359.474 0.711 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001273216534 1260626574 /nfs/dbraw/zinc/62/65/74/1260626574.db2.gz GXZSZFBMGANEGW-UHOSZYNNSA-N 2 2 361.490 0.765 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001273216534 1260626584 /nfs/dbraw/zinc/62/65/84/1260626584.db2.gz GXZSZFBMGANEGW-UHOSZYNNSA-N 2 2 361.490 0.765 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001277726625 1260662766 /nfs/dbraw/zinc/66/27/66/1260662766.db2.gz RKGQKMBMVGKMSA-IBGZPJMESA-N 2 2 359.474 0.801 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001277726625 1260662776 /nfs/dbraw/zinc/66/27/76/1260662776.db2.gz RKGQKMBMVGKMSA-IBGZPJMESA-N 2 2 359.474 0.801 20 0 FCADLP CCN(C)c1nc(N2CC3(C2)COCC(=O)N3CC[NH+](C)C)[nH+]cc1C ZINC001277922612 1260677455 /nfs/dbraw/zinc/67/74/55/1260677455.db2.gz XERZULTYIZKNPO-UHFFFAOYSA-N 2 2 362.478 0.220 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309484 1260834264 /nfs/dbraw/zinc/83/42/64/1260834264.db2.gz TXDYKDPBBGZAKF-SFHVURJKSA-N 2 2 363.462 0.654 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309484 1260834267 /nfs/dbraw/zinc/83/42/67/1260834267.db2.gz TXDYKDPBBGZAKF-SFHVURJKSA-N 2 2 363.462 0.654 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309484 1260834269 /nfs/dbraw/zinc/83/42/69/1260834269.db2.gz TXDYKDPBBGZAKF-SFHVURJKSA-N 2 2 363.462 0.654 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309484 1260834270 /nfs/dbraw/zinc/83/42/70/1260834270.db2.gz TXDYKDPBBGZAKF-SFHVURJKSA-N 2 2 363.462 0.654 20 0 FCADLP Cn1c(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c[nH+]ccc2N)cccc1=O ZINC001279616262 1260899536 /nfs/dbraw/zinc/89/95/36/1260899536.db2.gz DAAAMOIKMFXADX-HOTGVXAUSA-N 2 2 353.426 0.682 20 0 FCADLP Cn1c(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2c[nH+]ccc2N)cccc1=O ZINC001279616262 1260899541 /nfs/dbraw/zinc/89/95/41/1260899541.db2.gz DAAAMOIKMFXADX-HOTGVXAUSA-N 2 2 353.426 0.682 20 0 FCADLP Cn1ncnc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616505 1260899567 /nfs/dbraw/zinc/89/95/67/1260899567.db2.gz MCMSZWBLVRHVRS-GOSISDBHSA-N 2 2 355.446 0.751 20 0 FCADLP Cn1ncnc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616505 1260899573 /nfs/dbraw/zinc/89/95/73/1260899573.db2.gz MCMSZWBLVRHVRS-GOSISDBHSA-N 2 2 355.446 0.751 20 0 FCADLP COC(=O)CCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279886203 1260951025 /nfs/dbraw/zinc/95/10/25/1260951025.db2.gz YMMUTDSQMILKPD-KDOFPFPSSA-N 2 2 363.462 0.801 20 0 FCADLP COC(=O)CCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279886203 1260951030 /nfs/dbraw/zinc/95/10/30/1260951030.db2.gz YMMUTDSQMILKPD-KDOFPFPSSA-N 2 2 363.462 0.801 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001280119783 1261009263 /nfs/dbraw/zinc/00/92/63/1261009263.db2.gz IPXBTNPVQCHMQZ-GJZGRUSLSA-N 2 2 357.458 0.187 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001280119783 1261009268 /nfs/dbraw/zinc/00/92/68/1261009268.db2.gz IPXBTNPVQCHMQZ-GJZGRUSLSA-N 2 2 357.458 0.187 20 0 FCADLP C[NH+]1CCC(C)(C[N@@H+]2CCc3c([nH]nc3C(=O)NCC3COC3)C2)CC1 ZINC001280210948 1261033966 /nfs/dbraw/zinc/03/39/66/1261033966.db2.gz KIRYNHCIZBKCFZ-UHFFFAOYSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+]1CCC(C)(C[N@H+]2CCc3c([nH]nc3C(=O)NCC3COC3)C2)CC1 ZINC001280210948 1261033970 /nfs/dbraw/zinc/03/39/70/1261033970.db2.gz KIRYNHCIZBKCFZ-UHFFFAOYSA-N 2 2 361.490 0.876 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116662 1261637141 /nfs/dbraw/zinc/63/71/41/1261637141.db2.gz IBBIAXZMTAMSJN-HZPDHXFCSA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116662 1261637148 /nfs/dbraw/zinc/63/71/48/1261637148.db2.gz IBBIAXZMTAMSJN-HZPDHXFCSA-N 2 2 373.501 0.802 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001282874799 1261663491 /nfs/dbraw/zinc/66/34/91/1261663491.db2.gz OEBKPBGVQUZEAY-HUUCEWRRSA-N 2 2 359.474 0.536 20 0 FCADLP CN(C(=O)C(=O)NCc1cccc(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001345288694 1261666702 /nfs/dbraw/zinc/66/67/02/1261666702.db2.gz FUMROKVIYLUSNS-QGZVFWFLSA-N 2 2 374.485 0.635 20 0 FCADLP CN(C(=O)C(=O)NCc1cccc(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001345288694 1261666707 /nfs/dbraw/zinc/66/67/07/1261666707.db2.gz FUMROKVIYLUSNS-QGZVFWFLSA-N 2 2 374.485 0.635 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284534824 1261763359 /nfs/dbraw/zinc/76/33/59/1261763359.db2.gz CFLLVWMUQJTRPG-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284534824 1261763360 /nfs/dbraw/zinc/76/33/60/1261763360.db2.gz CFLLVWMUQJTRPG-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001284997985 1261801871 /nfs/dbraw/zinc/80/18/71/1261801871.db2.gz RMJWNUMUKQDRFC-NUEKZKHPSA-N 2 2 359.474 0.440 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001284997985 1261801878 /nfs/dbraw/zinc/80/18/78/1261801878.db2.gz RMJWNUMUKQDRFC-NUEKZKHPSA-N 2 2 359.474 0.440 20 0 FCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001293135233 1262710603 /nfs/dbraw/zinc/71/06/03/1262710603.db2.gz BPDUTNIRBNBIKZ-MRXNPFEDSA-N 2 2 366.510 0.330 20 0 FCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001293135233 1262710605 /nfs/dbraw/zinc/71/06/05/1262710605.db2.gz BPDUTNIRBNBIKZ-MRXNPFEDSA-N 2 2 366.510 0.330 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001295660131 1262776132 /nfs/dbraw/zinc/77/61/32/1262776132.db2.gz RVOMIUBOFHFEAN-RBSFLKMASA-N 2 2 359.474 0.773 20 0 FCADLP CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001479321463 1263184184 /nfs/dbraw/zinc/18/41/84/1263184184.db2.gz MVRLRKDFSUWGDM-AALSBFMBSA-N 2 2 361.490 0.923 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001479322818 1263184449 /nfs/dbraw/zinc/18/44/49/1263184449.db2.gz ZVIWORMOCXQMKA-QKPAOTATSA-N 2 2 359.474 0.534 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001479397667 1263190242 /nfs/dbraw/zinc/19/02/42/1263190242.db2.gz BYIQJUSSMAYCOH-AAVRWANBSA-N 2 2 354.476 0.053 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)cc1 ZINC001307784018 1263201384 /nfs/dbraw/zinc/20/13/84/1263201384.db2.gz BVUXQJPZYOZROB-QUCCMNQESA-N 2 2 372.513 0.975 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H]4CC[N@@H+](C)[C@H]4C3)CC2)cc1 ZINC001307784018 1263201393 /nfs/dbraw/zinc/20/13/93/1263201393.db2.gz BVUXQJPZYOZROB-QUCCMNQESA-N 2 2 372.513 0.975 20 0 FCADLP C[C@H](C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)CS(C)(=O)=O ZINC001483768800 1263446204 /nfs/dbraw/zinc/44/62/04/1263446204.db2.gz UVMFFUZROVJYEM-MGPQQGTHSA-N 2 2 368.503 0.443 20 0 FCADLP Cc1noc(C)c1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001318634966 1263594174 /nfs/dbraw/zinc/59/41/74/1263594174.db2.gz RQALIBGRCBCSRH-UHFFFAOYSA-N 2 2 363.462 0.905 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(C(F)F)c3)C2)CC1 ZINC001320599382 1263824766 /nfs/dbraw/zinc/82/47/66/1263824766.db2.gz DYOITGYFFHSOCT-NSHDSACASA-N 2 2 370.404 0.501 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(C(F)F)c3)C2)CC1 ZINC001320599382 1263824772 /nfs/dbraw/zinc/82/47/72/1263824772.db2.gz DYOITGYFFHSOCT-NSHDSACASA-N 2 2 370.404 0.501 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(C(F)F)c3)C2)CC1 ZINC001320599381 1263825428 /nfs/dbraw/zinc/82/54/28/1263825428.db2.gz DYOITGYFFHSOCT-LLVKDONJSA-N 2 2 370.404 0.501 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(C(F)F)c3)C2)CC1 ZINC001320599381 1263825435 /nfs/dbraw/zinc/82/54/35/1263825435.db2.gz DYOITGYFFHSOCT-LLVKDONJSA-N 2 2 370.404 0.501 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnc(Cl)s1 ZINC001497057288 1263913684 /nfs/dbraw/zinc/91/36/84/1263913684.db2.gz HFPCECDINXRKQT-MVWJERBFSA-N 2 2 369.878 0.900 20 0 FCADLP COc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001497057933 1263914064 /nfs/dbraw/zinc/91/40/64/1263914064.db2.gz MNUNKDCAWXEZEE-FVQBIDKESA-N 2 2 359.430 0.194 20 0 FCADLP OC[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)CC1CCOCC1 ZINC001321296396 1263930657 /nfs/dbraw/zinc/93/06/57/1263930657.db2.gz OCWLAZBEFUEMFA-LJQANCHMSA-N 2 2 369.550 0.798 20 0 FCADLP OC[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)CC1CCOCC1 ZINC001321296396 1263930665 /nfs/dbraw/zinc/93/06/65/1263930665.db2.gz OCWLAZBEFUEMFA-LJQANCHMSA-N 2 2 369.550 0.798 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001498031354 1263961325 /nfs/dbraw/zinc/96/13/25/1263961325.db2.gz PGVASGIUBHPXMO-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001498727868 1263984828 /nfs/dbraw/zinc/98/48/28/1263984828.db2.gz GMGNIUXWKXFQSE-MRXNPFEDSA-N 2 2 350.511 0.949 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCN2CCNC2=O)CCC1 ZINC001501999972 1264159895 /nfs/dbraw/zinc/15/98/95/1264159895.db2.gz OQDRVEAJOSZEIF-ZIAGYGMSSA-N 2 2 360.462 0.177 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584132 1264222645 /nfs/dbraw/zinc/22/26/45/1264222645.db2.gz VBJHEYJHIOWSEB-CQSZACIVSA-N 2 2 372.460 0.965 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584132 1264222656 /nfs/dbraw/zinc/22/26/56/1264222656.db2.gz VBJHEYJHIOWSEB-CQSZACIVSA-N 2 2 372.460 0.965 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322767857 1264259394 /nfs/dbraw/zinc/25/93/94/1264259394.db2.gz SEYOVUGQDYURIC-CYBMUJFWSA-N 2 2 363.462 0.414 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322767857 1264259399 /nfs/dbraw/zinc/25/93/99/1264259399.db2.gz SEYOVUGQDYURIC-CYBMUJFWSA-N 2 2 363.462 0.414 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)CC[N@@H+]1C ZINC001506083872 1264290000 /nfs/dbraw/zinc/29/00/00/1264290000.db2.gz HSDJDGOHVJMJMY-MCIONIFRSA-N 2 2 359.474 0.935 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)CC[N@H+]1C ZINC001506083872 1264290008 /nfs/dbraw/zinc/29/00/08/1264290008.db2.gz HSDJDGOHVJMJMY-MCIONIFRSA-N 2 2 359.474 0.935 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001580402713 1278228972 /nfs/dbraw/zinc/22/89/72/1278228972.db2.gz QHXOLYNRPNEGQO-CYBMUJFWSA-N 2 2 354.418 0.748 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)no1 ZINC001323832169 1264523711 /nfs/dbraw/zinc/52/37/11/1264523711.db2.gz SWYRWOFCPMPWHJ-UHFFFAOYSA-N 2 2 358.446 0.813 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001512827601 1264679529 /nfs/dbraw/zinc/67/95/29/1264679529.db2.gz CEVQYGPQOPWYPL-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001512827601 1264679535 /nfs/dbraw/zinc/67/95/35/1264679535.db2.gz CEVQYGPQOPWYPL-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001324905631 1264732304 /nfs/dbraw/zinc/73/23/04/1264732304.db2.gz FZNMPKJOANRVBL-MRXNPFEDSA-N 2 2 357.458 0.427 20 0 FCADLP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001324905631 1264732316 /nfs/dbraw/zinc/73/23/16/1264732316.db2.gz FZNMPKJOANRVBL-MRXNPFEDSA-N 2 2 357.458 0.427 20 0 FCADLP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532332 1264920323 /nfs/dbraw/zinc/92/03/23/1264920323.db2.gz XAJFJTFOALNFDI-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532332 1264920329 /nfs/dbraw/zinc/92/03/29/1264920329.db2.gz XAJFJTFOALNFDI-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001325652981 1264960271 /nfs/dbraw/zinc/96/02/71/1264960271.db2.gz TUTFYDCAPLXNSE-CVEARBPZSA-N 2 2 361.490 0.867 20 0 FCADLP COc1cccc(C[C@H](O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123628 1265061254 /nfs/dbraw/zinc/06/12/54/1265061254.db2.gz HJNSIXFRMCFKNC-APWZRJJASA-N 2 2 361.486 0.883 20 0 FCADLP COc1cccc(C[C@H](O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123628 1265061258 /nfs/dbraw/zinc/06/12/58/1265061258.db2.gz HJNSIXFRMCFKNC-APWZRJJASA-N 2 2 361.486 0.883 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)CC[NH2+]CC2 ZINC001326142656 1265067226 /nfs/dbraw/zinc/06/72/26/1265067226.db2.gz NUPHXACLKPXEAI-HOTGVXAUSA-N 2 2 371.485 0.767 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001326369393 1265100504 /nfs/dbraw/zinc/10/05/04/1265100504.db2.gz HBTKMKXZOFODMX-SFHVURJKSA-N 2 2 374.485 0.411 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1[nH+]ccn1C ZINC001580408785 1278250381 /nfs/dbraw/zinc/25/03/81/1278250381.db2.gz SPNCXWHADPRDIW-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP CCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001513920711 1265295315 /nfs/dbraw/zinc/29/53/15/1265295315.db2.gz IYNNRIUQIGGLSO-IBGZPJMESA-N 2 2 371.489 0.629 20 0 FCADLP CCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001513920711 1265295317 /nfs/dbraw/zinc/29/53/17/1265295317.db2.gz IYNNRIUQIGGLSO-IBGZPJMESA-N 2 2 371.489 0.629 20 0 FCADLP C[C@H](CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001327448042 1265325128 /nfs/dbraw/zinc/32/51/28/1265325128.db2.gz BHLQOMJDJMMYEI-FVQBIDKESA-N 2 2 360.462 0.581 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001527877729 1266931426 /nfs/dbraw/zinc/93/14/26/1266931426.db2.gz HVUMAGYHXVVQFZ-KRWDZBQOSA-N 2 2 366.506 0.809 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001527877729 1266931435 /nfs/dbraw/zinc/93/14/35/1266931435.db2.gz HVUMAGYHXVVQFZ-KRWDZBQOSA-N 2 2 366.506 0.809 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001527877729 1266931451 /nfs/dbraw/zinc/93/14/51/1266931451.db2.gz HVUMAGYHXVVQFZ-KRWDZBQOSA-N 2 2 366.506 0.809 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001527877729 1266931457 /nfs/dbraw/zinc/93/14/57/1266931457.db2.gz HVUMAGYHXVVQFZ-KRWDZBQOSA-N 2 2 366.506 0.809 20 0 FCADLP COC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001334960647 1267250681 /nfs/dbraw/zinc/25/06/81/1267250681.db2.gz BVRWLIOKNKBEPQ-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP COC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001334960647 1267250687 /nfs/dbraw/zinc/25/06/87/1267250687.db2.gz BVRWLIOKNKBEPQ-INIZCTEOSA-N 2 2 366.506 0.251 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)N2CCCC2)CC1 ZINC001548395384 1267695408 /nfs/dbraw/zinc/69/54/08/1267695408.db2.gz IBCNEMWGSSNBEW-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)N2CCCC2)CC1 ZINC001548395384 1267695411 /nfs/dbraw/zinc/69/54/11/1267695411.db2.gz IBCNEMWGSSNBEW-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001549152372 1267830801 /nfs/dbraw/zinc/83/08/01/1267830801.db2.gz BTYZLOWHVZZIBW-ADAWSYLGSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001549152372 1267830806 /nfs/dbraw/zinc/83/08/06/1267830806.db2.gz BTYZLOWHVZZIBW-ADAWSYLGSA-N 2 2 374.489 0.866 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549153195 1267831384 /nfs/dbraw/zinc/83/13/84/1267831384.db2.gz KSKDWGHNPFNASC-CPUCHLNUSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001549160583 1267840922 /nfs/dbraw/zinc/84/09/22/1267840922.db2.gz DSLYMUISGVKVKO-YJLNNSPDSA-N 2 2 374.489 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001549160583 1267840936 /nfs/dbraw/zinc/84/09/36/1267840936.db2.gz DSLYMUISGVKVKO-YJLNNSPDSA-N 2 2 374.489 0.867 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549348039 1267904341 /nfs/dbraw/zinc/90/43/41/1267904341.db2.gz HUUPNCQYUMZZCQ-IKGGRYGDSA-N 2 2 365.522 0.175 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549348039 1267904347 /nfs/dbraw/zinc/90/43/47/1267904347.db2.gz HUUPNCQYUMZZCQ-IKGGRYGDSA-N 2 2 365.522 0.175 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339270 1267913247 /nfs/dbraw/zinc/91/32/47/1267913247.db2.gz QYPSHTGEZRFZPT-YOEHRIQHSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339270 1267913252 /nfs/dbraw/zinc/91/32/52/1267913252.db2.gz QYPSHTGEZRFZPT-YOEHRIQHSA-N 2 2 360.458 0.839 20 0 FCADLP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549493376 1267927765 /nfs/dbraw/zinc/92/77/65/1267927765.db2.gz OBQDCHJSEZTPFX-DLBZAZTESA-N 2 2 350.507 0.384 20 0 FCADLP COc1ccc(OC)c(CCNC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001338473123 1267953210 /nfs/dbraw/zinc/95/32/10/1267953210.db2.gz HKEBRTNANYFQEI-UHFFFAOYSA-N 2 2 350.463 0.969 20 0 FCADLP C[NH+](C)[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549559922 1267954791 /nfs/dbraw/zinc/95/47/91/1267954791.db2.gz GVPCDWZAXZCZLH-RBSFLKMASA-N 2 2 358.450 0.021 20 0 FCADLP C[NH+](C)[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549560565 1267955214 /nfs/dbraw/zinc/95/52/14/1267955214.db2.gz VEKIVMDHKUNKQP-BZUAXINKSA-N 2 2 372.477 0.411 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001338689115 1268044152 /nfs/dbraw/zinc/04/41/52/1268044152.db2.gz YIOHKKAWFHQXAJ-UHFFFAOYSA-N 3 2 367.538 0.696 20 0 FCADLP O=C(CCN1C[C@@H]2CCC[N@H+]2C[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC001550143643 1268081184 /nfs/dbraw/zinc/08/11/84/1268081184.db2.gz DVKZYJKTLNQUFI-ROUUACIJSA-N 2 2 373.501 0.261 20 0 FCADLP O=C(CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC001550143643 1268081194 /nfs/dbraw/zinc/08/11/94/1268081194.db2.gz DVKZYJKTLNQUFI-ROUUACIJSA-N 2 2 373.501 0.261 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001550565160 1268134117 /nfs/dbraw/zinc/13/41/17/1268134117.db2.gz DNGACDKYYZJRDP-MPBYHJMHSA-N 2 2 351.491 0.950 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001550565160 1268134120 /nfs/dbraw/zinc/13/41/20/1268134120.db2.gz DNGACDKYYZJRDP-MPBYHJMHSA-N 2 2 351.491 0.950 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)C2)c1 ZINC001550727992 1268158049 /nfs/dbraw/zinc/15/80/49/1268158049.db2.gz XEKPHKFGKGERMS-AKHDSKFASA-N 2 2 359.470 0.831 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)C2)c1 ZINC001550727992 1268158055 /nfs/dbraw/zinc/15/80/55/1268158055.db2.gz XEKPHKFGKGERMS-AKHDSKFASA-N 2 2 359.470 0.831 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC001550756232 1268162884 /nfs/dbraw/zinc/16/28/84/1268162884.db2.gz PODXFLZHMQKHRC-HOTGVXAUSA-N 2 2 352.479 0.261 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939650 1268315462 /nfs/dbraw/zinc/31/54/62/1268315462.db2.gz SDWXDIDHEAEUFF-KFWWJZLASA-N 2 2 362.478 0.347 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939650 1268315470 /nfs/dbraw/zinc/31/54/70/1268315470.db2.gz SDWXDIDHEAEUFF-KFWWJZLASA-N 2 2 362.478 0.347 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939651 1268315760 /nfs/dbraw/zinc/31/57/60/1268315760.db2.gz SDWXDIDHEAEUFF-RBSFLKMASA-N 2 2 362.478 0.347 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939651 1268315772 /nfs/dbraw/zinc/31/57/72/1268315772.db2.gz SDWXDIDHEAEUFF-RBSFLKMASA-N 2 2 362.478 0.347 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001552077986 1268361207 /nfs/dbraw/zinc/36/12/07/1268361207.db2.gz GRSPGXGXHIRDQK-BZZMCLGOSA-N 2 2 366.506 0.648 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC001552154860 1268394922 /nfs/dbraw/zinc/39/49/22/1268394922.db2.gz URKRLEBMAWGTRW-SQNIBIBYSA-N 2 2 350.507 0.097 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552188245 1268406048 /nfs/dbraw/zinc/40/60/48/1268406048.db2.gz UWZPRFXLNGHYPV-WMLDXEAASA-N 2 2 372.535 0.266 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@H](c2ccccc2)C1 ZINC001552241220 1268419981 /nfs/dbraw/zinc/41/99/81/1268419981.db2.gz DXXLXHIPJKUZAQ-OALUTQOASA-N 2 2 368.485 0.768 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@H](c2ccccc2)C1 ZINC001552241220 1268419986 /nfs/dbraw/zinc/41/99/86/1268419986.db2.gz DXXLXHIPJKUZAQ-OALUTQOASA-N 2 2 368.485 0.768 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001340204471 1268471440 /nfs/dbraw/zinc/47/14/40/1268471440.db2.gz FSVISJHLRBFACJ-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340211911 1268472468 /nfs/dbraw/zinc/47/24/68/1268472468.db2.gz DECALGARSYVRPO-MJBXVCDLSA-N 2 2 366.466 0.329 20 0 FCADLP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340211911 1268472471 /nfs/dbraw/zinc/47/24/71/1268472471.db2.gz DECALGARSYVRPO-MJBXVCDLSA-N 2 2 366.466 0.329 20 0 FCADLP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340211910 1268472681 /nfs/dbraw/zinc/47/26/81/1268472681.db2.gz DECALGARSYVRPO-HZSPNIEDSA-N 2 2 366.466 0.329 20 0 FCADLP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340211910 1268472683 /nfs/dbraw/zinc/47/26/83/1268472683.db2.gz DECALGARSYVRPO-HZSPNIEDSA-N 2 2 366.466 0.329 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580501206 1278413148 /nfs/dbraw/zinc/41/31/48/1278413148.db2.gz KHVIZMJPPYHTKC-GFCCVEGCSA-N 2 2 368.445 0.983 20 0 FCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CC[C@@H](C[NH+]3CCOCC3)O1)CC2 ZINC001553126580 1268593383 /nfs/dbraw/zinc/59/33/83/1268593383.db2.gz DLZJGNGTBMMRLJ-IRXDYDNUSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CC[C@@H](C[NH+]3CCOCC3)O1)CC2 ZINC001553126580 1268593387 /nfs/dbraw/zinc/59/33/87/1268593387.db2.gz DLZJGNGTBMMRLJ-IRXDYDNUSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC001553140896 1268597363 /nfs/dbraw/zinc/59/73/63/1268597363.db2.gz RLUUSEODIDCSJC-IRXDYDNUSA-N 2 2 368.522 0.008 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC001553140896 1268597366 /nfs/dbraw/zinc/59/73/66/1268597366.db2.gz RLUUSEODIDCSJC-IRXDYDNUSA-N 2 2 368.522 0.008 20 0 FCADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553147639 1268598534 /nfs/dbraw/zinc/59/85/34/1268598534.db2.gz DUPNYMCVUKHMRU-QZTJIDSGSA-N 2 2 351.491 0.999 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@](C[NH3+])(C3CCOCC3)C2)CCO1 ZINC001553438612 1268650248 /nfs/dbraw/zinc/65/02/48/1268650248.db2.gz AOMZKLTVDTUHKF-IBGZPJMESA-N 2 2 368.522 0.884 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@](C[NH3+])(C3CCOCC3)C2)CCO1 ZINC001553438612 1268650255 /nfs/dbraw/zinc/65/02/55/1268650255.db2.gz AOMZKLTVDTUHKF-IBGZPJMESA-N 2 2 368.522 0.884 20 0 FCADLP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC001553443304 1268650765 /nfs/dbraw/zinc/65/07/65/1268650765.db2.gz HCMPBZKINOGYRB-TXPKVOOTSA-N 2 2 368.522 0.883 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553450019 1268652094 /nfs/dbraw/zinc/65/20/94/1268652094.db2.gz NWRBSVXXIGMYBZ-AWEZNQCLSA-N 2 2 358.508 0.018 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2C[NH2+]CC23CCOCC3)n1 ZINC001553530092 1268664295 /nfs/dbraw/zinc/66/42/95/1268664295.db2.gz QUFQXWXDJXPXHS-ZDUSSCGKSA-N 2 2 353.492 0.773 20 0 FCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001340822974 1268669780 /nfs/dbraw/zinc/66/97/80/1268669780.db2.gz KOQJNLVBROBXMP-NVXWUHKLSA-N 2 2 350.488 0.276 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1)[C@@H]1CCC[NH2+]1 ZINC001340894022 1268696553 /nfs/dbraw/zinc/69/65/53/1268696553.db2.gz NSDNZKBXSHPNKL-ZOBUZTSGSA-N 2 2 359.474 0.552 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001341018915 1268746438 /nfs/dbraw/zinc/74/64/38/1268746438.db2.gz DBXACTSDSGDSFW-FQEVSTJZSA-N 2 2 374.485 0.794 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001341418136 1268984824 /nfs/dbraw/zinc/98/48/24/1268984824.db2.gz POZJMYLHQPAOEQ-OWSLCNJRSA-N 2 2 351.539 0.994 20 0 FCADLP [NH3+][C@@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C12CCC2 ZINC001341554942 1269078269 /nfs/dbraw/zinc/07/82/69/1269078269.db2.gz UPNRKRMQNKUVBY-CVEARBPZSA-N 2 2 371.485 0.897 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001341678281 1269147469 /nfs/dbraw/zinc/14/74/69/1269147469.db2.gz WNUYTEWCUAHIBR-SFHVURJKSA-N 3 2 367.538 0.151 20 0 FCADLP CC(C)N(C[C@H](O)CO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001563842967 1269399295 /nfs/dbraw/zinc/39/92/95/1269399295.db2.gz RCDLJJAUCMYLKF-KRWDZBQOSA-N 2 2 356.511 0.318 20 0 FCADLP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)sn1 ZINC001568579684 1269740153 /nfs/dbraw/zinc/74/01/53/1269740153.db2.gz GLYQOZSPNYNIKC-RAIGVLPGSA-N 2 2 365.459 0.256 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001572954148 1270399319 /nfs/dbraw/zinc/39/93/19/1270399319.db2.gz BEVBUFUIENEKDW-HZPDHXFCSA-N 2 2 363.462 0.170 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262179 1271136587 /nfs/dbraw/zinc/13/65/87/1271136587.db2.gz PMILLSSMCZKDBR-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262179 1271136595 /nfs/dbraw/zinc/13/65/95/1271136595.db2.gz PMILLSSMCZKDBR-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262179 1271136600 /nfs/dbraw/zinc/13/66/00/1271136600.db2.gz PMILLSSMCZKDBR-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262179 1271136606 /nfs/dbraw/zinc/13/66/06/1271136606.db2.gz PMILLSSMCZKDBR-GFCCVEGCSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598706 1271402177 /nfs/dbraw/zinc/40/21/77/1271402177.db2.gz WSWJXXUESCRFHH-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598706 1271402180 /nfs/dbraw/zinc/40/21/80/1271402180.db2.gz WSWJXXUESCRFHH-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574776101 1271510121 /nfs/dbraw/zinc/51/01/21/1271510121.db2.gz PIBXGCFZZSXVLR-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574776101 1271510127 /nfs/dbraw/zinc/51/01/27/1271510127.db2.gz PIBXGCFZZSXVLR-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574803215 1271540703 /nfs/dbraw/zinc/54/07/03/1271540703.db2.gz BKAHUOBDFWPTCG-GFCCVEGCSA-N 2 2 355.406 0.489 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873374 1271625528 /nfs/dbraw/zinc/62/55/28/1271625528.db2.gz NEKAKFJGEYCECU-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873374 1271625532 /nfs/dbraw/zinc/62/55/32/1271625532.db2.gz NEKAKFJGEYCECU-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873374 1271625536 /nfs/dbraw/zinc/62/55/36/1271625536.db2.gz NEKAKFJGEYCECU-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873374 1271625541 /nfs/dbraw/zinc/62/55/41/1271625541.db2.gz NEKAKFJGEYCECU-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC001575047542 1271700667 /nfs/dbraw/zinc/70/06/67/1271700667.db2.gz CKQXTXHCXDMCKT-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575379091 1272021798 /nfs/dbraw/zinc/02/17/98/1272021798.db2.gz LVCHIBQXVBQMIP-GHMZBOCLSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575382352 1272023706 /nfs/dbraw/zinc/02/37/06/1272023706.db2.gz AZGOQHZHYWVDRB-WDEREUQCSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001575386021 1272031586 /nfs/dbraw/zinc/03/15/86/1272031586.db2.gz QGEVAAHGTOBAMX-NEPJUHHUSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575390758 1272038707 /nfs/dbraw/zinc/03/87/07/1272038707.db2.gz DCYZSIFAUVQKFW-WDEREUQCSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@](C[NH2+]CCc1cn[nH]n1)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001575611040 1272234569 /nfs/dbraw/zinc/23/45/69/1272234569.db2.gz HQRKYEWTEBOWLX-IBGZPJMESA-N 2 2 371.489 0.997 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576018529 1272717288 /nfs/dbraw/zinc/71/72/88/1272717288.db2.gz HOORQWOSVOJRHA-XJKSGUPXSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576019819 1272718863 /nfs/dbraw/zinc/71/88/63/1272718863.db2.gz QHCASAQXLGTLJM-NEPJUHHUSA-N 2 2 372.458 0.904 20 0 FCADLP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001576103412 1272887779 /nfs/dbraw/zinc/88/77/79/1272887779.db2.gz BZXJRGQKFMSRNU-GDBMZVCRSA-N 2 2 350.467 0.242 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122542 1272915290 /nfs/dbraw/zinc/91/52/90/1272915290.db2.gz DNVVLCWCBGCFMN-QAPCUYQASA-N 2 2 356.474 0.916 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122542 1272915299 /nfs/dbraw/zinc/91/52/99/1272915299.db2.gz DNVVLCWCBGCFMN-QAPCUYQASA-N 2 2 356.474 0.916 20 0 FCADLP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC001576163759 1272970975 /nfs/dbraw/zinc/97/09/75/1272970975.db2.gz BSZNTVJVFCVVSY-WMLDXEAASA-N 2 2 350.463 0.541 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001576201817 1272987273 /nfs/dbraw/zinc/98/72/73/1272987273.db2.gz YZLISXKYDYKUTE-ARFHVFGLSA-N 2 2 353.511 0.160 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001576201817 1272987279 /nfs/dbraw/zinc/98/72/79/1272987279.db2.gz YZLISXKYDYKUTE-ARFHVFGLSA-N 2 2 353.511 0.160 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001576201825 1272988041 /nfs/dbraw/zinc/98/80/41/1272988041.db2.gz YZLISXKYDYKUTE-XHSDSOJGSA-N 2 2 353.511 0.160 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001576201825 1272988051 /nfs/dbraw/zinc/98/80/51/1272988051.db2.gz YZLISXKYDYKUTE-XHSDSOJGSA-N 2 2 353.511 0.160 20 0 FCADLP CCC(=O)N1CC[C@H]([NH+]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576427634 1273255511 /nfs/dbraw/zinc/25/55/11/1273255511.db2.gz MKMQSHXDRXXMEK-AWEZNQCLSA-N 2 2 370.461 0.703 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499606 1273361787 /nfs/dbraw/zinc/36/17/87/1273361787.db2.gz LUWFODKZSCQCKV-CVEARBPZSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499606 1273361792 /nfs/dbraw/zinc/36/17/92/1273361792.db2.gz LUWFODKZSCQCKV-CVEARBPZSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499418 1273362489 /nfs/dbraw/zinc/36/24/89/1273362489.db2.gz KDDOALKYXDDNEM-HZPDHXFCSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499418 1273362491 /nfs/dbraw/zinc/36/24/91/1273362491.db2.gz KDDOALKYXDDNEM-HZPDHXFCSA-N 2 2 357.462 0.897 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557680 1273436557 /nfs/dbraw/zinc/43/65/57/1273436557.db2.gz SRTJVGMIJOTPLW-CVEARBPZSA-N 2 2 362.478 0.181 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557680 1273436560 /nfs/dbraw/zinc/43/65/60/1273436560.db2.gz SRTJVGMIJOTPLW-CVEARBPZSA-N 2 2 362.478 0.181 20 0 FCADLP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791629 1273688914 /nfs/dbraw/zinc/68/89/14/1273688914.db2.gz PWPZNBDFHZSKBH-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791629 1273688921 /nfs/dbraw/zinc/68/89/21/1273688921.db2.gz PWPZNBDFHZSKBH-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576835352 1273764043 /nfs/dbraw/zinc/76/40/43/1273764043.db2.gz MQKOEULKGNZCCT-GFCCVEGCSA-N 2 2 369.433 0.573 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576835579 1273766447 /nfs/dbraw/zinc/76/64/47/1273766447.db2.gz PGHCUIUUTXLTOR-CQSZACIVSA-N 2 2 354.418 0.817 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC(OCCC[NH2+]Cc3c[nH]nn3)CC2)CC1 ZINC001576878702 1273861136 /nfs/dbraw/zinc/86/11/36/1273861136.db2.gz KTCKJQIOXWXPES-UHFFFAOYSA-N 2 2 364.494 0.634 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC(OCCC[NH2+]Cc3cn[nH]n3)CC2)CC1 ZINC001576878702 1273861149 /nfs/dbraw/zinc/86/11/49/1273861149.db2.gz KTCKJQIOXWXPES-UHFFFAOYSA-N 2 2 364.494 0.634 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CCC(CC[NH2+]Cc3cn[nH]n3)CC2)CC1 ZINC001576883443 1273865450 /nfs/dbraw/zinc/86/54/50/1273865450.db2.gz NEUWHCIJQIDDOF-UHFFFAOYSA-N 2 2 364.494 0.634 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001576898192 1273900191 /nfs/dbraw/zinc/90/01/91/1273900191.db2.gz NPEJSVAKOSULBJ-ZBFHGGJFSA-N 2 2 353.511 0.521 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902947 1273911892 /nfs/dbraw/zinc/91/18/92/1273911892.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902947 1273911895 /nfs/dbraw/zinc/91/18/95/1273911895.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902947 1273911898 /nfs/dbraw/zinc/91/18/98/1273911898.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902947 1273911904 /nfs/dbraw/zinc/91/19/04/1273911904.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902947 1273911907 /nfs/dbraw/zinc/91/19/07/1273911907.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902947 1273911912 /nfs/dbraw/zinc/91/19/12/1273911912.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902947 1273911915 /nfs/dbraw/zinc/91/19/15/1273911915.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902947 1273911917 /nfs/dbraw/zinc/91/19/17/1273911917.db2.gz GSPVZWCNYLPMHY-JKSUJKDBSA-N 2 2 350.467 0.039 20 0 FCADLP CC[C@@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001577149133 1274200989 /nfs/dbraw/zinc/20/09/89/1274200989.db2.gz RWULTRFGGRACCV-HUUCEWRRSA-N 2 2 352.483 0.635 20 0 FCADLP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001577477429 1274434511 /nfs/dbraw/zinc/43/45/11/1274434511.db2.gz RDOZGOUERRCVHY-CJNGLKHVSA-N 2 2 372.477 0.865 20 0 FCADLP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001577477429 1274434515 /nfs/dbraw/zinc/43/45/15/1274434515.db2.gz RDOZGOUERRCVHY-CJNGLKHVSA-N 2 2 372.477 0.865 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571609 1274536464 /nfs/dbraw/zinc/53/64/64/1274536464.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1cn[nH]n1)C3)C2 ZINC001577571609 1274536468 /nfs/dbraw/zinc/53/64/68/1274536468.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571609 1274536474 /nfs/dbraw/zinc/53/64/74/1274536474.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC3(C1)CC[N@@H+](CCc1c[nH]nn1)C3)C2 ZINC001577571609 1274536477 /nfs/dbraw/zinc/53/64/77/1274536477.db2.gz HGFLFVGPPFWBOS-HNNXBMFYSA-N 2 2 369.473 0.649 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC001577577721 1274544932 /nfs/dbraw/zinc/54/49/32/1274544932.db2.gz DBMXSECCTIDFFN-WBVHZDCISA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@@H]21 ZINC001577577721 1274544937 /nfs/dbraw/zinc/54/49/37/1274544937.db2.gz DBMXSECCTIDFFN-WBVHZDCISA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC001577577721 1274544941 /nfs/dbraw/zinc/54/49/41/1274544941.db2.gz DBMXSECCTIDFFN-WBVHZDCISA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@@H]21 ZINC001577577721 1274544949 /nfs/dbraw/zinc/54/49/49/1274544949.db2.gz DBMXSECCTIDFFN-WBVHZDCISA-N 2 2 357.462 0.865 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577805012 1274908832 /nfs/dbraw/zinc/90/88/32/1274908832.db2.gz GSVZBOUMDWPCHW-INIZCTEOSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001577805012 1274908844 /nfs/dbraw/zinc/90/88/44/1274908844.db2.gz GSVZBOUMDWPCHW-INIZCTEOSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001577805330 1274909588 /nfs/dbraw/zinc/90/95/88/1274909588.db2.gz MOSWIXKNJZQOOK-QGZVFWFLSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577805330 1274909602 /nfs/dbraw/zinc/90/96/02/1274909602.db2.gz MOSWIXKNJZQOOK-QGZVFWFLSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001577805330 1274909608 /nfs/dbraw/zinc/90/96/08/1274909608.db2.gz MOSWIXKNJZQOOK-QGZVFWFLSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577805330 1274909621 /nfs/dbraw/zinc/90/96/21/1274909621.db2.gz MOSWIXKNJZQOOK-QGZVFWFLSA-N 2 2 364.494 0.430 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866556 1275048206 /nfs/dbraw/zinc/04/82/06/1275048206.db2.gz IQLKMPMMJBIHKI-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866556 1275048218 /nfs/dbraw/zinc/04/82/18/1275048218.db2.gz IQLKMPMMJBIHKI-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866556 1275048225 /nfs/dbraw/zinc/04/82/25/1275048225.db2.gz IQLKMPMMJBIHKI-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866556 1275048234 /nfs/dbraw/zinc/04/82/34/1275048234.db2.gz IQLKMPMMJBIHKI-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnn[nH]1 ZINC001577873039 1275064273 /nfs/dbraw/zinc/06/42/73/1275064273.db2.gz TXIKQRVHMUHEIK-GOEBONIOSA-N 2 2 350.467 0.292 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577963559 1275187370 /nfs/dbraw/zinc/18/73/70/1275187370.db2.gz NTFJBCNMLHZVLP-CABCVRRESA-N 2 2 371.489 0.997 20 0 FCADLP CCN(CCNC(=O)C[NH+]1CCC(C)CC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578004701 1275265434 /nfs/dbraw/zinc/26/54/34/1275265434.db2.gz MSFADOQPCWSCPX-UHFFFAOYSA-N 2 2 372.477 0.936 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578029257 1275304818 /nfs/dbraw/zinc/30/48/18/1275304818.db2.gz KTBOPAFYTHXHIN-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578029257 1275304824 /nfs/dbraw/zinc/30/48/24/1275304824.db2.gz KTBOPAFYTHXHIN-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CCN(CCNC(=O)Cn1cc[nH+]c1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578036829 1275317128 /nfs/dbraw/zinc/31/71/28/1275317128.db2.gz BOPRSRFOWWYPTF-UHFFFAOYSA-N 2 2 355.406 0.409 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001578036846 1275317182 /nfs/dbraw/zinc/31/71/82/1275317182.db2.gz CRFIRIYLNFWONB-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001578036846 1275317188 /nfs/dbraw/zinc/31/71/88/1275317188.db2.gz CRFIRIYLNFWONB-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1CC1=CC[NH2+]CC1 ZINC001578126848 1275426144 /nfs/dbraw/zinc/42/61/44/1275426144.db2.gz FDUJQNUCIYKGDD-UHFFFAOYSA-N 2 2 364.494 0.503 20 0 FCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218028 1275511677 /nfs/dbraw/zinc/51/16/77/1275511677.db2.gz WLWYGOTYZYXDBI-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218028 1275511681 /nfs/dbraw/zinc/51/16/81/1275511681.db2.gz WLWYGOTYZYXDBI-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP CC[NH+]1CC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218028 1275511687 /nfs/dbraw/zinc/51/16/87/1275511687.db2.gz WLWYGOTYZYXDBI-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP CC[NH+]1CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578218028 1275511692 /nfs/dbraw/zinc/51/16/92/1275511692.db2.gz WLWYGOTYZYXDBI-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224569 1275523088 /nfs/dbraw/zinc/52/30/88/1275523088.db2.gz PFEWKLNZMFJMMQ-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224569 1275523092 /nfs/dbraw/zinc/52/30/92/1275523092.db2.gz PFEWKLNZMFJMMQ-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224569 1275523097 /nfs/dbraw/zinc/52/30/97/1275523097.db2.gz PFEWKLNZMFJMMQ-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224569 1275523103 /nfs/dbraw/zinc/52/31/03/1275523103.db2.gz PFEWKLNZMFJMMQ-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001580808599 1278969505 /nfs/dbraw/zinc/96/95/05/1278969505.db2.gz JBSSMQJALQIDQW-RBUKOAKNSA-N 2 2 359.470 0.651 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC001578399864 1275774463 /nfs/dbraw/zinc/77/44/63/1275774463.db2.gz IGSPXRLVWZEMRS-SFYZZRBRSA-N 2 2 350.507 0.763 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC001578399864 1275774468 /nfs/dbraw/zinc/77/44/68/1275774468.db2.gz IGSPXRLVWZEMRS-SFYZZRBRSA-N 2 2 350.507 0.763 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529503 1275960826 /nfs/dbraw/zinc/96/08/26/1275960826.db2.gz WLKULLXGQORTOY-KDOFPFPSSA-N 2 2 355.479 0.535 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529503 1275960829 /nfs/dbraw/zinc/96/08/29/1275960829.db2.gz WLKULLXGQORTOY-KDOFPFPSSA-N 2 2 355.479 0.535 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529451 1275961152 /nfs/dbraw/zinc/96/11/52/1275961152.db2.gz VCXYBKIZVHTCRQ-LBTNJELSSA-N 2 2 353.463 0.382 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529451 1275961160 /nfs/dbraw/zinc/96/11/60/1275961160.db2.gz VCXYBKIZVHTCRQ-LBTNJELSSA-N 2 2 353.463 0.382 20 0 FCADLP C[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532552 1275963237 /nfs/dbraw/zinc/96/32/37/1275963237.db2.gz LLLRPRCQAJZMGI-KGLIPLIRSA-N 2 2 356.467 0.032 20 0 FCADLP C[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532552 1275963242 /nfs/dbraw/zinc/96/32/42/1275963242.db2.gz LLLRPRCQAJZMGI-KGLIPLIRSA-N 2 2 356.467 0.032 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001578616903 1276053865 /nfs/dbraw/zinc/05/38/65/1276053865.db2.gz XQMZBBNKRKWQPU-ARFHVFGLSA-N 2 2 364.494 0.301 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001578616903 1276053869 /nfs/dbraw/zinc/05/38/69/1276053869.db2.gz XQMZBBNKRKWQPU-ARFHVFGLSA-N 2 2 364.494 0.301 20 0 FCADLP C[NH+](C)C1(C(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CCC1 ZINC001578965357 1276509750 /nfs/dbraw/zinc/50/97/50/1276509750.db2.gz SIWIMXCVXTYMPR-UHFFFAOYSA-N 2 2 356.434 0.229 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578965644 1276509870 /nfs/dbraw/zinc/50/98/70/1276509870.db2.gz WJIHLOABKQYXJC-GFCCVEGCSA-N 2 2 356.434 0.441 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001578970470 1276514303 /nfs/dbraw/zinc/51/43/03/1276514303.db2.gz CDXJFOGMLAVPLU-UHFFFAOYSA-N 2 2 369.473 0.853 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578975784 1276526378 /nfs/dbraw/zinc/52/63/78/1276526378.db2.gz ILETZEBEGHWPSY-KBPBESRZSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578975784 1276526383 /nfs/dbraw/zinc/52/63/83/1276526383.db2.gz ILETZEBEGHWPSY-KBPBESRZSA-N 2 2 373.436 0.743 20 0 FCADLP C[N@H+](CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006019 1276578414 /nfs/dbraw/zinc/57/84/14/1276578414.db2.gz KRAWQIIIVWZXQB-GOSISDBHSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+](CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579006019 1276578421 /nfs/dbraw/zinc/57/84/21/1276578421.db2.gz KRAWQIIIVWZXQB-GOSISDBHSA-N 2 2 370.461 0.831 20 0 FCADLP CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070076 1276679327 /nfs/dbraw/zinc/67/93/27/1276679327.db2.gz NNTNSPUFZJKPJL-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070076 1276679336 /nfs/dbraw/zinc/67/93/36/1276679336.db2.gz NNTNSPUFZJKPJL-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001579100522 1276752009 /nfs/dbraw/zinc/75/20/09/1276752009.db2.gz AKBKOVWGVKUIJV-INIZCTEOSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001579100522 1276752019 /nfs/dbraw/zinc/75/20/19/1276752019.db2.gz AKBKOVWGVKUIJV-INIZCTEOSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001579101746 1276756535 /nfs/dbraw/zinc/75/65/35/1276756535.db2.gz LRLHORCICFMSKM-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[NH+]1CCCC1 ZINC001579101746 1276756541 /nfs/dbraw/zinc/75/65/41/1276756541.db2.gz LRLHORCICFMSKM-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579116180 1276786743 /nfs/dbraw/zinc/78/67/43/1276786743.db2.gz REWGWKULTFTKKF-UHFFFAOYSA-N 2 2 355.406 0.443 20 0 FCADLP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579133836 1276830786 /nfs/dbraw/zinc/83/07/86/1276830786.db2.gz AKBXTDKMYWSNNO-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579133836 1276830787 /nfs/dbraw/zinc/83/07/87/1276830787.db2.gz AKBXTDKMYWSNNO-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001579136861 1276837194 /nfs/dbraw/zinc/83/71/94/1276837194.db2.gz MJOVXBHARMKVDW-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001579136861 1276837211 /nfs/dbraw/zinc/83/72/11/1276837211.db2.gz MJOVXBHARMKVDW-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cn1cc[nH+]c1 ZINC001579137257 1276841014 /nfs/dbraw/zinc/84/10/14/1276841014.db2.gz ZSOVACSQWWJNBL-UHFFFAOYSA-N 2 2 372.408 0.793 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cn1cc[nH+]c1 ZINC001579137257 1276841031 /nfs/dbraw/zinc/84/10/31/1276841031.db2.gz ZSOVACSQWWJNBL-UHFFFAOYSA-N 2 2 372.408 0.793 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579250234 1277049344 /nfs/dbraw/zinc/04/93/44/1277049344.db2.gz RTVWLNRETPXYJM-LBPRGKRZSA-N 2 2 372.458 0.858 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579250234 1277049347 /nfs/dbraw/zinc/04/93/47/1277049347.db2.gz RTVWLNRETPXYJM-LBPRGKRZSA-N 2 2 372.458 0.858 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579340733 1277186633 /nfs/dbraw/zinc/18/66/33/1277186633.db2.gz APVVUXLJIBDZIR-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579340733 1277186634 /nfs/dbraw/zinc/18/66/34/1277186634.db2.gz APVVUXLJIBDZIR-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001579348343 1277203513 /nfs/dbraw/zinc/20/35/13/1277203513.db2.gz BABDKQQFUDHHLZ-AWEZNQCLSA-N 2 2 372.477 0.446 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001579348343 1277203516 /nfs/dbraw/zinc/20/35/16/1277203516.db2.gz BABDKQQFUDHHLZ-AWEZNQCLSA-N 2 2 372.477 0.446 20 0 FCADLP CS(=O)(=O)c1ccc(NCC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001579351181 1277207403 /nfs/dbraw/zinc/20/74/03/1277207403.db2.gz CJMSGJSACILIAD-UHFFFAOYSA-N 2 2 354.476 0.041 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356585 1277222699 /nfs/dbraw/zinc/22/26/99/1277222699.db2.gz LUABPPZPDSMXAT-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356585 1277222700 /nfs/dbraw/zinc/22/27/00/1277222700.db2.gz LUABPPZPDSMXAT-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356585 1277222701 /nfs/dbraw/zinc/22/27/01/1277222701.db2.gz LUABPPZPDSMXAT-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356585 1277222703 /nfs/dbraw/zinc/22/27/03/1277222703.db2.gz LUABPPZPDSMXAT-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356601 1277222737 /nfs/dbraw/zinc/22/27/37/1277222737.db2.gz LUABPPZPDSMXAT-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356601 1277222739 /nfs/dbraw/zinc/22/27/39/1277222739.db2.gz LUABPPZPDSMXAT-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356601 1277222740 /nfs/dbraw/zinc/22/27/40/1277222740.db2.gz LUABPPZPDSMXAT-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356601 1277222742 /nfs/dbraw/zinc/22/27/42/1277222742.db2.gz LUABPPZPDSMXAT-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358121 1277225568 /nfs/dbraw/zinc/22/55/68/1277225568.db2.gz AETWHAFZDGXNPD-OAHLLOKOSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358121 1277225576 /nfs/dbraw/zinc/22/55/76/1277225576.db2.gz AETWHAFZDGXNPD-OAHLLOKOSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358764 1277228698 /nfs/dbraw/zinc/22/86/98/1277228698.db2.gz JLHPMKNNCZPAAY-HOCLYGCPSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358764 1277228704 /nfs/dbraw/zinc/22/87/04/1277228704.db2.gz JLHPMKNNCZPAAY-HOCLYGCPSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358764 1277228705 /nfs/dbraw/zinc/22/87/05/1277228705.db2.gz JLHPMKNNCZPAAY-HOCLYGCPSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358764 1277228706 /nfs/dbraw/zinc/22/87/06/1277228706.db2.gz JLHPMKNNCZPAAY-HOCLYGCPSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358882 1277229754 /nfs/dbraw/zinc/22/97/54/1277229754.db2.gz LEVLWRZPQRILFR-BBRMVZONSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358882 1277229758 /nfs/dbraw/zinc/22/97/58/1277229758.db2.gz LEVLWRZPQRILFR-BBRMVZONSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579363224 1277241129 /nfs/dbraw/zinc/24/11/29/1277241129.db2.gz YLYBXJWZHBBCNO-LALPHHSUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579363224 1277241135 /nfs/dbraw/zinc/24/11/35/1277241135.db2.gz YLYBXJWZHBBCNO-LALPHHSUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579367568 1277249758 /nfs/dbraw/zinc/24/97/58/1277249758.db2.gz YZAHYXJPMUDHOH-HNNXBMFYSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579367568 1277249759 /nfs/dbraw/zinc/24/97/59/1277249759.db2.gz YZAHYXJPMUDHOH-HNNXBMFYSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368857 1277251770 /nfs/dbraw/zinc/25/17/70/1277251770.db2.gz LVHQNBXDMSTUKA-ZUEPYMLJSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368857 1277251771 /nfs/dbraw/zinc/25/17/71/1277251771.db2.gz LVHQNBXDMSTUKA-ZUEPYMLJSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001579372273 1277255870 /nfs/dbraw/zinc/25/58/70/1277255870.db2.gz MSCDTQGOESQLKJ-HUUCEWRRSA-N 2 2 372.477 0.721 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001579372273 1277255875 /nfs/dbraw/zinc/25/58/75/1277255875.db2.gz MSCDTQGOESQLKJ-HUUCEWRRSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)Nc2cnccn2)C2CC2)CC[N@@H+]1C ZINC001713557466 1287285883 /nfs/dbraw/zinc/28/58/83/1287285883.db2.gz SBRGNWJXOHVINQ-UKRRQHHQSA-N 2 2 360.462 0.336 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](CC(=O)Nc2cnccn2)C2CC2)CC[N@H+]1C ZINC001713557466 1287285884 /nfs/dbraw/zinc/28/58/84/1287285884.db2.gz SBRGNWJXOHVINQ-UKRRQHHQSA-N 2 2 360.462 0.336 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC(=O)Nc2cnccn2)C2CC2)CC[NH+]1C ZINC001713557466 1287285890 /nfs/dbraw/zinc/28/58/90/1287285890.db2.gz SBRGNWJXOHVINQ-UKRRQHHQSA-N 2 2 360.462 0.336 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC(=O)Nc2cnccn2)C2CC2)CC[NH+]1C ZINC001713557466 1287285894 /nfs/dbraw/zinc/28/58/94/1287285894.db2.gz SBRGNWJXOHVINQ-UKRRQHHQSA-N 2 2 360.462 0.336 20 0 FCADLP Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[NH+]3CCC([NH3+])CC3)C2)n1 ZINC001579766042 1277889915 /nfs/dbraw/zinc/88/99/15/1277889915.db2.gz GCUVBWJSLGGVLP-OAHLLOKOSA-N 2 2 359.474 0.990 20 0 FCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001580248017 1278052605 /nfs/dbraw/zinc/05/26/05/1278052605.db2.gz VHNMVGAXJLUFJI-NSHDSACASA-N 2 2 372.408 0.956 20 0 FCADLP O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC001580872774 1279076175 /nfs/dbraw/zinc/07/61/75/1279076175.db2.gz KTRRYHYMEBITDH-LUKYLMHMSA-N 2 2 358.504 0.423 20 0 FCADLP O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC001580872774 1279076183 /nfs/dbraw/zinc/07/61/83/1279076183.db2.gz KTRRYHYMEBITDH-LUKYLMHMSA-N 2 2 358.504 0.423 20 0 FCADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)NC1CC1 ZINC001714560966 1287326875 /nfs/dbraw/zinc/32/68/75/1287326875.db2.gz WPUMVWZQFZSPRE-MSOLQXFVSA-N 2 2 358.486 0.658 20 0 FCADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)CC(=O)NC1CC1 ZINC001714560966 1287326879 /nfs/dbraw/zinc/32/68/79/1287326879.db2.gz WPUMVWZQFZSPRE-MSOLQXFVSA-N 2 2 358.486 0.658 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC(=O)NC1CC1 ZINC001714560966 1287326882 /nfs/dbraw/zinc/32/68/82/1287326882.db2.gz WPUMVWZQFZSPRE-MSOLQXFVSA-N 2 2 358.486 0.658 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC(=O)NC1CC1 ZINC001714560966 1287326886 /nfs/dbraw/zinc/32/68/86/1287326886.db2.gz WPUMVWZQFZSPRE-MSOLQXFVSA-N 2 2 358.486 0.658 20 0 FCADLP Cc1cc(N(C)[C@@H](C)CNC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580941628 1279150443 /nfs/dbraw/zinc/15/04/43/1279150443.db2.gz SXHFIMNZNRVKFO-ZDUSSCGKSA-N 2 2 369.433 0.798 20 0 FCADLP Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987223 1279184159 /nfs/dbraw/zinc/18/41/59/1279184159.db2.gz ACJLLUUEXBSNKO-QWHCGFSZSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580987793 1279184986 /nfs/dbraw/zinc/18/49/86/1279184986.db2.gz DTBXROOJLWBBJO-QWHCGFSZSA-N 2 2 369.433 0.502 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580990859 1279193760 /nfs/dbraw/zinc/19/37/60/1279193760.db2.gz JEGQFEHWLJWSMC-LLVKDONJSA-N 2 2 369.433 0.504 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581011695 1279237881 /nfs/dbraw/zinc/23/78/81/1279237881.db2.gz NDCRSYWMVNZMKJ-GFCCVEGCSA-N 2 2 369.433 0.456 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001714885945 1287337728 /nfs/dbraw/zinc/33/77/28/1287337728.db2.gz FGWUTGNXUVTYQW-SJLPKXTDSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001714885945 1287337731 /nfs/dbraw/zinc/33/77/31/1287337731.db2.gz FGWUTGNXUVTYQW-SJLPKXTDSA-N 2 2 362.522 0.336 20 0 FCADLP COC[C@@H](O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001714912934 1287338180 /nfs/dbraw/zinc/33/81/80/1287338180.db2.gz QXFQXJWYERAZEX-GVDBMIGSSA-N 2 2 364.490 0.701 20 0 FCADLP COC[C@@H](O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001714912934 1287338188 /nfs/dbraw/zinc/33/81/88/1287338188.db2.gz QXFQXJWYERAZEX-GVDBMIGSSA-N 2 2 364.490 0.701 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581338251 1279717820 /nfs/dbraw/zinc/71/78/20/1279717820.db2.gz FUCAQLMSBKBELN-GFCCVEGCSA-N 2 2 353.390 0.162 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581339216 1279720812 /nfs/dbraw/zinc/72/08/12/1279720812.db2.gz BVZODKOSKAGQHE-HNNXBMFYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340599 1279722187 /nfs/dbraw/zinc/72/21/87/1279722187.db2.gz SESPFWHDGQSLNL-NEPJUHHUSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581340608 1279722693 /nfs/dbraw/zinc/72/26/93/1279722693.db2.gz SHSGWVQTRXBIBO-LLVKDONJSA-N 2 2 374.474 0.975 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563928 1280140594 /nfs/dbraw/zinc/14/05/94/1280140594.db2.gz MUGKPJRPVVDLOT-CYBMUJFWSA-N 2 2 367.417 0.292 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563902 1280141574 /nfs/dbraw/zinc/14/15/74/1280141574.db2.gz USJCRPAIUNQMDM-LLVKDONJSA-N 2 2 355.406 0.408 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581563638 1280141955 /nfs/dbraw/zinc/14/19/55/1280141955.db2.gz KXWFSFAFUOTNMC-GFCCVEGCSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581565548 1280146573 /nfs/dbraw/zinc/14/65/73/1280146573.db2.gz YGSGMVKKRMAKEP-JTQLQIEISA-N 2 2 360.447 0.728 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581797561 1280522808 /nfs/dbraw/zinc/52/28/08/1280522808.db2.gz HLICUFURYYEDOO-UHFFFAOYSA-N 2 2 368.445 0.829 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581814689 1280558486 /nfs/dbraw/zinc/55/84/86/1280558486.db2.gz YRJAWGOFGPVQLE-GFCCVEGCSA-N 2 2 367.417 0.063 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581814198 1280558709 /nfs/dbraw/zinc/55/87/09/1280558709.db2.gz AWULKCHRGDWGAH-GFCCVEGCSA-N 2 2 367.417 0.063 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581815005 1280559835 /nfs/dbraw/zinc/55/98/35/1280559835.db2.gz NVKYOQFVQFDCLD-OAHLLOKOSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581815005 1280559841 /nfs/dbraw/zinc/55/98/41/1280559841.db2.gz NVKYOQFVQFDCLD-OAHLLOKOSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581815865 1280561375 /nfs/dbraw/zinc/56/13/75/1280561375.db2.gz LLNJOUTYVLOZHO-SNAWJCMRSA-N 2 2 366.429 0.605 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581814935 1280561397 /nfs/dbraw/zinc/56/13/97/1280561397.db2.gz LRYVZBHPEXFGPG-LBPRGKRZSA-N 2 2 367.417 0.063 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581815118 1280561998 /nfs/dbraw/zinc/56/19/98/1280561998.db2.gz SPNAQZPWUCMVOB-GASCZTMLSA-N 2 2 366.429 0.580 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581816939 1280563726 /nfs/dbraw/zinc/56/37/26/1280563726.db2.gz WWGAXQXJNZTLOG-CQSZACIVSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581816939 1280563735 /nfs/dbraw/zinc/56/37/35/1280563735.db2.gz WWGAXQXJNZTLOG-CQSZACIVSA-N 2 2 366.429 0.533 20 0 FCADLP O=C(C[NH+]1CCCC1)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582098976 1281055099 /nfs/dbraw/zinc/05/50/99/1281055099.db2.gz FYGLBBZXWRZHBM-UHFFFAOYSA-N 2 2 370.461 0.619 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582099607 1281056799 /nfs/dbraw/zinc/05/67/99/1281056799.db2.gz WFGJIAMRJRFBOY-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582099607 1281056804 /nfs/dbraw/zinc/05/68/04/1281056804.db2.gz WFGJIAMRJRFBOY-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582169036 1281133736 /nfs/dbraw/zinc/13/37/36/1281133736.db2.gz AKKGTTGDGJWZBA-HNNXBMFYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582169587 1281136891 /nfs/dbraw/zinc/13/68/91/1281136891.db2.gz ZSZPMJUCGTZDCD-GFCCVEGCSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582171613 1281140676 /nfs/dbraw/zinc/14/06/76/1281140676.db2.gz SVRKDSZSBLRNDU-CTYIDZIISA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582171693 1281141127 /nfs/dbraw/zinc/14/11/27/1281141127.db2.gz WZQIPTDXFQFVLN-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582171693 1281141129 /nfs/dbraw/zinc/14/11/29/1281141129.db2.gz WZQIPTDXFQFVLN-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582183871 1281163799 /nfs/dbraw/zinc/16/37/99/1281163799.db2.gz MMZMVDQMQFHAJB-CTYIDZIISA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197239 1281180197 /nfs/dbraw/zinc/18/01/97/1281180197.db2.gz IYSDPUGVACSLSA-AWEZNQCLSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197239 1281180201 /nfs/dbraw/zinc/18/02/01/1281180201.db2.gz IYSDPUGVACSLSA-AWEZNQCLSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582198401 1281184735 /nfs/dbraw/zinc/18/47/35/1281184735.db2.gz ZNWXSGIERPEBMA-KOMQPUFPSA-N 2 2 366.429 0.748 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001584322780 1282150064 /nfs/dbraw/zinc/15/00/64/1282150064.db2.gz DNEJYDCFNPIRIC-ARFHVFGLSA-N 2 2 361.490 0.876 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC001585744523 1282242256 /nfs/dbraw/zinc/24/22/56/1282242256.db2.gz JQQBHNGKUYANFP-CYBMUJFWSA-N 2 2 350.419 0.702 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC001585744523 1282242265 /nfs/dbraw/zinc/24/22/65/1282242265.db2.gz JQQBHNGKUYANFP-CYBMUJFWSA-N 2 2 350.419 0.702 20 0 FCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604256962 1287595267 /nfs/dbraw/zinc/59/52/67/1287595267.db2.gz BCCROKKRLOAXSK-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604256962 1287595272 /nfs/dbraw/zinc/59/52/72/1287595272.db2.gz BCCROKKRLOAXSK-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC001589994602 1283161453 /nfs/dbraw/zinc/16/14/53/1283161453.db2.gz GVNXIMVPFHEJRB-LRDDRELGSA-N 2 2 369.429 0.279 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590309817 1283454900 /nfs/dbraw/zinc/45/49/00/1283454900.db2.gz ZMBIRTKAZNEJDD-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590309817 1283454906 /nfs/dbraw/zinc/45/49/06/1283454906.db2.gz ZMBIRTKAZNEJDD-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP CN(C(=O)NC[C@@]1(C)CCC(=O)N1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001681805311 1283509950 /nfs/dbraw/zinc/50/99/50/1283509950.db2.gz YVXCKDOUALFTPA-CRAIPNDOSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@@]1(C)CCC(=O)N1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001681805311 1283509958 /nfs/dbraw/zinc/50/99/58/1283509958.db2.gz YVXCKDOUALFTPA-CRAIPNDOSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001682613314 1283717738 /nfs/dbraw/zinc/71/77/38/1283717738.db2.gz YGUYHZRVBPZJSU-INIZCTEOSA-N 2 2 364.494 0.367 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001590985016 1284042396 /nfs/dbraw/zinc/04/23/96/1284042396.db2.gz HZTKEQAGOAEBSJ-UHFFFAOYSA-N 2 2 366.429 0.912 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001591179900 1284278682 /nfs/dbraw/zinc/27/86/82/1284278682.db2.gz ZWAXPSUNSIFCIT-UHFFFAOYSA-N 2 2 357.462 0.965 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001591179900 1284278694 /nfs/dbraw/zinc/27/86/94/1284278694.db2.gz ZWAXPSUNSIFCIT-UHFFFAOYSA-N 2 2 357.462 0.965 20 0 FCADLP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591179037 1284278979 /nfs/dbraw/zinc/27/89/79/1284278979.db2.gz YGFDCUIVVABSQY-OAHLLOKOSA-N 2 2 369.473 0.851 20 0 FCADLP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591179037 1284278985 /nfs/dbraw/zinc/27/89/85/1284278985.db2.gz YGFDCUIVVABSQY-OAHLLOKOSA-N 2 2 369.473 0.851 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)ccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001591180897 1284279619 /nfs/dbraw/zinc/27/96/19/1284279619.db2.gz QHSGYXUHJPKZTO-HNNXBMFYSA-N 2 2 370.461 0.502 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)ccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001591180897 1284279627 /nfs/dbraw/zinc/27/96/27/1284279627.db2.gz QHSGYXUHJPKZTO-HNNXBMFYSA-N 2 2 370.461 0.502 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591187632 1284300828 /nfs/dbraw/zinc/30/08/28/1284300828.db2.gz HKHOLKJROCCOJE-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001591187632 1284300837 /nfs/dbraw/zinc/30/08/37/1284300837.db2.gz HKHOLKJROCCOJE-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187522 1284301435 /nfs/dbraw/zinc/30/14/35/1284301435.db2.gz XHRUCOUELINGDE-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187522 1284301444 /nfs/dbraw/zinc/30/14/44/1284301444.db2.gz XHRUCOUELINGDE-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187522 1284301450 /nfs/dbraw/zinc/30/14/50/1284301450.db2.gz XHRUCOUELINGDE-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001591187522 1284301462 /nfs/dbraw/zinc/30/14/62/1284301462.db2.gz XHRUCOUELINGDE-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)n3)cn2)CC1 ZINC001591193601 1284314037 /nfs/dbraw/zinc/31/40/37/1284314037.db2.gz ZTWRNRKEEIBCIG-UHFFFAOYSA-N 2 2 365.445 0.698 20 0 FCADLP COc1ccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cc1-c1nn[nH]n1 ZINC001591599979 1284762415 /nfs/dbraw/zinc/76/24/15/1284762415.db2.gz YFVIOMCUPHMCHX-UHFFFAOYSA-N 2 2 356.390 0.047 20 0 FCADLP Cc1cc(-c2nn[nH]n2)nc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001591882081 1284970057 /nfs/dbraw/zinc/97/00/57/1284970057.db2.gz BUVKDONGXUDYQK-CQSZACIVSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1cc(-c2nn[nH]n2)nc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001591882081 1284970062 /nfs/dbraw/zinc/97/00/62/1284970062.db2.gz BUVKDONGXUDYQK-CQSZACIVSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1cc(NC/C=C\CNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046274 1285088647 /nfs/dbraw/zinc/08/86/47/1285088647.db2.gz JXMFCUQZMNFNPK-ARJAWSKDSA-N 2 2 367.417 0.053 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001592055292 1285097903 /nfs/dbraw/zinc/09/79/03/1285097903.db2.gz JCWRRXLAFIVDIU-BETUJISGSA-N 2 2 367.417 0.256 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001592928603 1285817083 /nfs/dbraw/zinc/81/70/83/1285817083.db2.gz MHGCAIHWBUDQNG-BETUJISGSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592928715 1285817634 /nfs/dbraw/zinc/81/76/34/1285817634.db2.gz XRZHPNZVBNOTQR-ONEGZZNKSA-N 2 2 352.402 0.595 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592983352 1285866222 /nfs/dbraw/zinc/86/62/22/1285866222.db2.gz SNLNSZPBXKDMKS-INIZCTEOSA-N 2 2 370.461 0.446 20 0 FCADLP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001593076422 1285974695 /nfs/dbraw/zinc/97/46/95/1285974695.db2.gz PARXCNHJMQPSEQ-GFCCVEGCSA-N 2 2 367.417 0.061 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001705410207 1286387038 /nfs/dbraw/zinc/38/70/38/1286387038.db2.gz ZQOBDVYMEXRZCC-CLCXKQKWSA-N 2 2 361.490 0.973 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001707226410 1287074271 /nfs/dbraw/zinc/07/42/71/1287074271.db2.gz KGASFFNFYWYBAO-MSOLQXFVSA-N 2 2 358.486 0.645 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001707226410 1287074285 /nfs/dbraw/zinc/07/42/85/1287074285.db2.gz KGASFFNFYWYBAO-MSOLQXFVSA-N 2 2 358.486 0.645 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001707226410 1287074296 /nfs/dbraw/zinc/07/42/96/1287074296.db2.gz KGASFFNFYWYBAO-MSOLQXFVSA-N 2 2 358.486 0.645 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]2C1 ZINC001707226410 1287074307 /nfs/dbraw/zinc/07/43/07/1287074307.db2.gz KGASFFNFYWYBAO-MSOLQXFVSA-N 2 2 358.486 0.645 20 0 FCADLP C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC001604862593 1287802231 /nfs/dbraw/zinc/80/22/31/1287802231.db2.gz MJWXVPITRGLWJA-UHFFFAOYSA-N 2 2 373.461 0.341 20 0 FCADLP C[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC001604862593 1287802234 /nfs/dbraw/zinc/80/22/34/1287802234.db2.gz MJWXVPITRGLWJA-UHFFFAOYSA-N 2 2 373.461 0.341 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1-c1nn[nH]n1 ZINC001605210216 1287911851 /nfs/dbraw/zinc/91/18/51/1287911851.db2.gz WLZZCHARKSTJJJ-CQSZACIVSA-N 2 2 371.445 0.272 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1-c1nn[nH]n1 ZINC001605210216 1287911855 /nfs/dbraw/zinc/91/18/55/1287911855.db2.gz WLZZCHARKSTJJJ-CQSZACIVSA-N 2 2 371.445 0.272 20 0 FCADLP Cc1cc(N(C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687572 1288051718 /nfs/dbraw/zinc/05/17/18/1288051718.db2.gz QHKJHWBFHRCMPV-GFCCVEGCSA-N 2 2 355.406 0.408 20 0 FCADLP CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)CC[NH+]1CCCCC1 ZINC001721126719 1288298553 /nfs/dbraw/zinc/29/85/53/1288298553.db2.gz MOGMFTKJEWOTKG-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP [NH3+]CCCCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606437356 1288317034 /nfs/dbraw/zinc/31/70/34/1288317034.db2.gz KLITWUGEWWXOKM-UHFFFAOYSA-N 2 2 358.450 0.433 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC001721708889 1288371082 /nfs/dbraw/zinc/37/10/82/1288371082.db2.gz WXGMUBGPCFZSLM-BZUAXINKSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC001721708889 1288371086 /nfs/dbraw/zinc/37/10/86/1288371086.db2.gz WXGMUBGPCFZSLM-BZUAXINKSA-N 2 2 361.490 0.703 20 0 FCADLP CN(C)c1ccccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732656778 1288591247 /nfs/dbraw/zinc/59/12/47/1288591247.db2.gz GBIDBQJUPDDBED-BRWVUGGUSA-N 2 2 371.485 0.857 20 0 FCADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001607103897 1288662902 /nfs/dbraw/zinc/66/29/02/1288662902.db2.gz DRVBCQPXHIGGDZ-KRWDZBQOSA-N 2 2 372.473 0.727 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001735716684 1288792658 /nfs/dbraw/zinc/79/26/58/1288792658.db2.gz PAUFAZMLOAVNFA-DOTOQJQBSA-N 2 2 370.457 0.997 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)[nH+]1 ZINC001735775786 1288895162 /nfs/dbraw/zinc/89/51/62/1288895162.db2.gz BIIKJFSUOVHWHK-HZPDHXFCSA-N 2 2 362.474 0.650 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609109982 1288924695 /nfs/dbraw/zinc/92/46/95/1288924695.db2.gz MGMDWXRXIOXDRK-CYBMUJFWSA-N 2 2 358.450 0.431 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691876856 1289332553 /nfs/dbraw/zinc/33/25/53/1289332553.db2.gz JECPCMZCVSEQEZ-LSDHHAIUSA-N 2 2 371.489 0.965 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCCS(=O)(=O)CC ZINC001692025059 1289368703 /nfs/dbraw/zinc/36/87/03/1289368703.db2.gz CZOUNHVVTLGHPE-JKSUJKDBSA-N 2 2 370.519 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CCCS(=O)(=O)CC ZINC001692025059 1289368715 /nfs/dbraw/zinc/36/87/15/1289368715.db2.gz CZOUNHVVTLGHPE-JKSUJKDBSA-N 2 2 370.519 0.985 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]C[C@H](C)O ZINC001692027977 1289371251 /nfs/dbraw/zinc/37/12/51/1289371251.db2.gz MBBDSUXHXYGLKL-ZMSDIMECSA-N 2 2 364.490 0.596 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001692224422 1289431564 /nfs/dbraw/zinc/43/15/64/1289431564.db2.gz ZYIVGFRLWMEBOM-WBVHZDCISA-N 2 2 361.490 0.619 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001692224422 1289431565 /nfs/dbraw/zinc/43/15/65/1289431565.db2.gz ZYIVGFRLWMEBOM-WBVHZDCISA-N 2 2 361.490 0.619 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001692224422 1289431567 /nfs/dbraw/zinc/43/15/67/1289431567.db2.gz ZYIVGFRLWMEBOM-WBVHZDCISA-N 2 2 361.490 0.619 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@@H]1C ZINC001692224422 1289431568 /nfs/dbraw/zinc/43/15/68/1289431568.db2.gz ZYIVGFRLWMEBOM-WBVHZDCISA-N 2 2 361.490 0.619 20 0 FCADLP CCOCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692237685 1289434628 /nfs/dbraw/zinc/43/46/28/1289434628.db2.gz MUPSLQATOBHGON-ARFHVFGLSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692237685 1289434634 /nfs/dbraw/zinc/43/46/34/1289434634.db2.gz MUPSLQATOBHGON-ARFHVFGLSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692237685 1289434638 /nfs/dbraw/zinc/43/46/38/1289434638.db2.gz MUPSLQATOBHGON-ARFHVFGLSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692237685 1289434642 /nfs/dbraw/zinc/43/46/42/1289434642.db2.gz MUPSLQATOBHGON-ARFHVFGLSA-N 2 2 350.463 0.835 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698732013 1289534337 /nfs/dbraw/zinc/53/43/37/1289534337.db2.gz BVYAKQWYTQVOSZ-BZUAXINKSA-N 2 2 361.490 0.876 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001699902653 1289576245 /nfs/dbraw/zinc/57/62/45/1289576245.db2.gz HZIKYKJGFLEBNR-ZIFCJYIRSA-N 2 2 369.506 0.075 20 0 FCADLP CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001699902653 1289576251 /nfs/dbraw/zinc/57/62/51/1289576251.db2.gz HZIKYKJGFLEBNR-ZIFCJYIRSA-N 2 2 369.506 0.075 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001739247369 1289827643 /nfs/dbraw/zinc/82/76/43/1289827643.db2.gz QQRMOYWMSWNCOR-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001739247369 1289827659 /nfs/dbraw/zinc/82/76/59/1289827659.db2.gz QQRMOYWMSWNCOR-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC001620787862 1290022025 /nfs/dbraw/zinc/02/20/25/1290022025.db2.gz NCLQZVHPRZBYJN-LJQANCHMSA-N 2 2 370.501 0.978 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OC ZINC001702320795 1290041690 /nfs/dbraw/zinc/04/16/90/1290041690.db2.gz ZJNHJJTXLXPCGO-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OC ZINC001702320795 1290041701 /nfs/dbraw/zinc/04/17/01/1290041701.db2.gz ZJNHJJTXLXPCGO-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC001627473679 1290466093 /nfs/dbraw/zinc/46/60/93/1290466093.db2.gz AJUXQRBTMPXQRP-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC001627473679 1290466097 /nfs/dbraw/zinc/46/60/97/1290466097.db2.gz AJUXQRBTMPXQRP-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001627473679 1290466102 /nfs/dbraw/zinc/46/61/02/1290466102.db2.gz AJUXQRBTMPXQRP-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001627473679 1290466105 /nfs/dbraw/zinc/46/61/05/1290466105.db2.gz AJUXQRBTMPXQRP-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NC1CCOCC1 ZINC001752740172 1290614380 /nfs/dbraw/zinc/61/43/80/1290614380.db2.gz WAUCHQRUNZXAEJ-LXTVHRRPSA-N 2 2 361.446 0.045 20 0 FCADLP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NC1CCOCC1 ZINC001752740172 1290614390 /nfs/dbraw/zinc/61/43/90/1290614390.db2.gz WAUCHQRUNZXAEJ-LXTVHRRPSA-N 2 2 361.446 0.045 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001755302954 1290643007 /nfs/dbraw/zinc/64/30/07/1290643007.db2.gz ITAMRVYKQNNFPK-RWMBFGLXSA-N 2 2 368.507 0.643 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001755302954 1290643013 /nfs/dbraw/zinc/64/30/13/1290643013.db2.gz ITAMRVYKQNNFPK-RWMBFGLXSA-N 2 2 368.507 0.643 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001755302954 1290643020 /nfs/dbraw/zinc/64/30/20/1290643020.db2.gz ITAMRVYKQNNFPK-RWMBFGLXSA-N 2 2 368.507 0.643 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001755302954 1290643026 /nfs/dbraw/zinc/64/30/26/1290643026.db2.gz ITAMRVYKQNNFPK-RWMBFGLXSA-N 2 2 368.507 0.643 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001756964451 1290672146 /nfs/dbraw/zinc/67/21/46/1290672146.db2.gz ZEUYFJIWYSHITQ-GOEBONIOSA-N 2 2 355.442 0.959 20 0 FCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001648734901 1291138917 /nfs/dbraw/zinc/13/89/17/1291138917.db2.gz AOTCCURCVUPYLE-HUUCEWRRSA-N 2 2 366.487 0.758 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)[C@@H]3CCCOC3)C2)CC1 ZINC001679304923 1292301634 /nfs/dbraw/zinc/30/16/34/1292301634.db2.gz XGCMYUYXFMFRED-HLLBOEOZSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)[C@@H]3CCCOC3)C2)CC1 ZINC001679304923 1292301642 /nfs/dbraw/zinc/30/16/42/1292301642.db2.gz XGCMYUYXFMFRED-HLLBOEOZSA-N 2 2 354.495 0.242 20 0 FCADLP CCN(CCNC(=O)Cn1c[nH+]cc1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001688411057 1294490336 /nfs/dbraw/zinc/49/03/36/1294490336.db2.gz QXHQSPIMJRYRDM-HUUCEWRRSA-N 2 2 358.446 0.693 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001689099972 1294616734 /nfs/dbraw/zinc/61/67/34/1294616734.db2.gz MDYDATGWXJLISL-ZBFHGGJFSA-N 2 2 363.462 0.028 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)[C@@H]1CC)[NH+](C)C ZINC001689192343 1294658454 /nfs/dbraw/zinc/65/84/54/1294658454.db2.gz BCJIDTZARZXENT-RRFJBIMHSA-N 2 2 362.478 0.724 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)[C@@H]1CC)[NH+](C)C ZINC001689192343 1294658463 /nfs/dbraw/zinc/65/84/63/1294658463.db2.gz BCJIDTZARZXENT-RRFJBIMHSA-N 2 2 362.478 0.724 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001689226263 1294686744 /nfs/dbraw/zinc/68/67/44/1294686744.db2.gz MUFUYUCCNQERKN-OWCLPIDISA-N 2 2 350.463 0.140 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001689226263 1294686751 /nfs/dbraw/zinc/68/67/51/1294686751.db2.gz MUFUYUCCNQERKN-OWCLPIDISA-N 2 2 350.463 0.140 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001689238563 1294696964 /nfs/dbraw/zinc/69/69/64/1294696964.db2.gz CFQDPOHGJBPYFE-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001689238563 1294696972 /nfs/dbraw/zinc/69/69/72/1294696972.db2.gz CFQDPOHGJBPYFE-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H](O)COCC(F)(F)F ZINC001689342397 1294765003 /nfs/dbraw/zinc/76/50/03/1294765003.db2.gz SNAKKLMJIVEONT-UPJWGTAASA-N 2 2 364.368 0.402 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H](O)COCC(F)(F)F ZINC001689342397 1294765007 /nfs/dbraw/zinc/76/50/07/1294765007.db2.gz SNAKKLMJIVEONT-UPJWGTAASA-N 2 2 364.368 0.402 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(=O)Nc1ncccn1 ZINC001690341465 1294864856 /nfs/dbraw/zinc/86/48/56/1294864856.db2.gz PGIMYAOSRWTXAW-ODXJTPSBSA-N 2 2 369.429 0.567 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001690521364 1294869022 /nfs/dbraw/zinc/86/90/22/1294869022.db2.gz LOZMRUCYFJVYFM-QKEJGYSESA-N 2 2 359.474 0.614 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001690521364 1294869035 /nfs/dbraw/zinc/86/90/35/1294869035.db2.gz LOZMRUCYFJVYFM-QKEJGYSESA-N 2 2 359.474 0.614 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001691851135 1294943044 /nfs/dbraw/zinc/94/30/44/1294943044.db2.gz IKKXNEVFVCFXPP-ZBFHGGJFSA-N 2 2 362.478 0.205 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(N)cc[nH+]1)CC2 ZINC001164701717 719929092 /nfs/dbraw/zinc/92/90/92/719929092.db2.gz AWQKLQHGIGWRRW-UHFFFAOYSA-N 2 2 355.446 0.348 20 0 FCADLP Cn1ccc2c1nc[nH+]c2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794319 721510054 /nfs/dbraw/zinc/51/00/54/721510054.db2.gz NSGCWZHBVUKWJU-UHFFFAOYSA-N 2 2 366.473 0.932 20 0 FCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927076 721850319 /nfs/dbraw/zinc/85/03/19/721850319.db2.gz JISDKOWVSBVPAE-IRXDYDNUSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927076 721850320 /nfs/dbraw/zinc/85/03/20/721850320.db2.gz JISDKOWVSBVPAE-IRXDYDNUSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927076 721850322 /nfs/dbraw/zinc/85/03/22/721850322.db2.gz JISDKOWVSBVPAE-IRXDYDNUSA-N 2 2 359.522 0.443 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069940782 837569082 /nfs/dbraw/zinc/56/90/82/837569082.db2.gz BRAUAUNPNHVCNW-KGLIPLIRSA-N 2 2 364.475 0.049 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001069940782 837569085 /nfs/dbraw/zinc/56/90/85/837569085.db2.gz BRAUAUNPNHVCNW-KGLIPLIRSA-N 2 2 364.475 0.049 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070098634 837616976 /nfs/dbraw/zinc/61/69/76/837616976.db2.gz JWDGMOXWDBIERI-OLZOCXBDSA-N 2 2 360.384 0.668 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070098634 837616978 /nfs/dbraw/zinc/61/69/78/837616978.db2.gz JWDGMOXWDBIERI-OLZOCXBDSA-N 2 2 360.384 0.668 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070353424 837647799 /nfs/dbraw/zinc/64/77/99/837647799.db2.gz OLOHBFDGQGPCCK-MJBXVCDLSA-N 2 2 350.467 0.386 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070353424 837647804 /nfs/dbraw/zinc/64/78/04/837647804.db2.gz OLOHBFDGQGPCCK-MJBXVCDLSA-N 2 2 350.467 0.386 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001070353424 837647807 /nfs/dbraw/zinc/64/78/07/837647807.db2.gz OLOHBFDGQGPCCK-MJBXVCDLSA-N 2 2 350.467 0.386 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001070353424 837647809 /nfs/dbraw/zinc/64/78/09/837647809.db2.gz OLOHBFDGQGPCCK-MJBXVCDLSA-N 2 2 350.467 0.386 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCF)C2)O1 ZINC001070412688 837651785 /nfs/dbraw/zinc/65/17/85/837651785.db2.gz IAAVVUZPIDTHHN-VNHYZAJKSA-N 2 2 353.442 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[NH+](CCF)C2)O1 ZINC001070412688 837651786 /nfs/dbraw/zinc/65/17/86/837651786.db2.gz IAAVVUZPIDTHHN-VNHYZAJKSA-N 2 2 353.442 0.504 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@H+](CCF)C2)O1 ZINC001070412688 837651787 /nfs/dbraw/zinc/65/17/87/837651787.db2.gz IAAVVUZPIDTHHN-VNHYZAJKSA-N 2 2 353.442 0.504 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@H]2CC[N@@H+](CCF)C2)O1 ZINC001070412688 837651788 /nfs/dbraw/zinc/65/17/88/837651788.db2.gz IAAVVUZPIDTHHN-VNHYZAJKSA-N 2 2 353.442 0.504 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCF)C2)O1 ZINC001070412687 837651875 /nfs/dbraw/zinc/65/18/75/837651875.db2.gz IAAVVUZPIDTHHN-UMVBOHGHSA-N 2 2 353.442 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[NH+](CCF)C2)O1 ZINC001070412687 837651878 /nfs/dbraw/zinc/65/18/78/837651878.db2.gz IAAVVUZPIDTHHN-UMVBOHGHSA-N 2 2 353.442 0.504 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@H+](CCF)C2)O1 ZINC001070412687 837651880 /nfs/dbraw/zinc/65/18/80/837651880.db2.gz IAAVVUZPIDTHHN-UMVBOHGHSA-N 2 2 353.442 0.504 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CC[N@@H+](CCF)C2)O1 ZINC001070412687 837651883 /nfs/dbraw/zinc/65/18/83/837651883.db2.gz IAAVVUZPIDTHHN-UMVBOHGHSA-N 2 2 353.442 0.504 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC[N@@H+]3C)n2)O1 ZINC001070574654 837659462 /nfs/dbraw/zinc/65/94/62/837659462.db2.gz PKPFAYATYLHRQK-BFHYXJOUSA-N 2 2 350.467 0.735 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCCC[N@H+]3C)n2)O1 ZINC001070574654 837659463 /nfs/dbraw/zinc/65/94/63/837659463.db2.gz PKPFAYATYLHRQK-BFHYXJOUSA-N 2 2 350.467 0.735 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099325520 844024297 /nfs/dbraw/zinc/02/42/97/844024297.db2.gz QAPQBDWQSYPZEZ-GHMZBOCLSA-N 2 2 357.340 0.223 20 0 FCADLP CS(=O)(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702573181 836100226 /nfs/dbraw/zinc/10/02/26/836100226.db2.gz KUGFQXWRAJIEHP-DLBZAZTESA-N 2 2 353.488 0.247 20 0 FCADLP CS(=O)(=O)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702573181 836100234 /nfs/dbraw/zinc/10/02/34/836100234.db2.gz KUGFQXWRAJIEHP-DLBZAZTESA-N 2 2 353.488 0.247 20 0 FCADLP CCOCCO[C@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000749805677 836387031 /nfs/dbraw/zinc/38/70/31/836387031.db2.gz GUHSXOKTXSKVCD-AWEZNQCLSA-N 2 2 354.451 0.088 20 0 FCADLP CCOCCO[C@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000749805677 836387042 /nfs/dbraw/zinc/38/70/42/836387042.db2.gz GUHSXOKTXSKVCD-AWEZNQCLSA-N 2 2 354.451 0.088 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750234976 836411102 /nfs/dbraw/zinc/41/11/02/836411102.db2.gz XGDPAFVPSJLWIN-UHFFFAOYSA-N 2 2 351.451 0.431 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001101376362 844164549 /nfs/dbraw/zinc/16/45/49/844164549.db2.gz CVBUSFPMAITGNY-JZXOWHBKSA-N 2 2 350.463 0.623 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001101376362 844164554 /nfs/dbraw/zinc/16/45/54/844164554.db2.gz CVBUSFPMAITGNY-JZXOWHBKSA-N 2 2 350.463 0.623 20 0 FCADLP COC(=O)N[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163425 836554157 /nfs/dbraw/zinc/55/41/57/836554157.db2.gz GIUOOIAMPIZYLY-KBPBESRZSA-N 2 2 353.467 0.295 20 0 FCADLP COC(=O)N[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163425 836554162 /nfs/dbraw/zinc/55/41/62/836554162.db2.gz GIUOOIAMPIZYLY-KBPBESRZSA-N 2 2 353.467 0.295 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001076177371 837966306 /nfs/dbraw/zinc/96/63/06/837966306.db2.gz YKQZDSGAIQYRQY-YHUYYLMFSA-N 2 2 357.520 0.294 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001076177371 837966313 /nfs/dbraw/zinc/96/63/13/837966313.db2.gz YKQZDSGAIQYRQY-YHUYYLMFSA-N 2 2 357.520 0.294 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001076177371 837966318 /nfs/dbraw/zinc/96/63/18/837966318.db2.gz YKQZDSGAIQYRQY-YHUYYLMFSA-N 2 2 357.520 0.294 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001076177371 837966322 /nfs/dbraw/zinc/96/63/22/837966322.db2.gz YKQZDSGAIQYRQY-YHUYYLMFSA-N 2 2 357.520 0.294 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244756 837973959 /nfs/dbraw/zinc/97/39/59/837973959.db2.gz YAUKTQBTPUPNAF-IYOUNJFTSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244756 837973966 /nfs/dbraw/zinc/97/39/66/837973966.db2.gz YAUKTQBTPUPNAF-IYOUNJFTSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244756 837973975 /nfs/dbraw/zinc/97/39/75/837973975.db2.gz YAUKTQBTPUPNAF-IYOUNJFTSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244756 837973980 /nfs/dbraw/zinc/97/39/80/837973980.db2.gz YAUKTQBTPUPNAF-IYOUNJFTSA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244757 837974002 /nfs/dbraw/zinc/97/40/02/837974002.db2.gz YAUKTQBTPUPNAF-PMUMKWKESA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244757 837974008 /nfs/dbraw/zinc/97/40/08/837974008.db2.gz YAUKTQBTPUPNAF-PMUMKWKESA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244757 837974015 /nfs/dbraw/zinc/97/40/15/837974015.db2.gz YAUKTQBTPUPNAF-PMUMKWKESA-N 2 2 354.470 0.478 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244757 837974022 /nfs/dbraw/zinc/97/40/22/837974022.db2.gz YAUKTQBTPUPNAF-PMUMKWKESA-N 2 2 354.470 0.478 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605588 838028324 /nfs/dbraw/zinc/02/83/24/838028324.db2.gz HYZQENSWDURKSB-JKSUJKDBSA-N 2 2 357.520 0.440 20 0 FCADLP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605588 838028335 /nfs/dbraw/zinc/02/83/35/838028335.db2.gz HYZQENSWDURKSB-JKSUJKDBSA-N 2 2 357.520 0.440 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001077003079 838208405 /nfs/dbraw/zinc/20/84/05/838208405.db2.gz RJGATJYLFOMBEZ-BZUAXINKSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001077003079 838208420 /nfs/dbraw/zinc/20/84/20/838208420.db2.gz RJGATJYLFOMBEZ-BZUAXINKSA-N 2 2 350.488 0.455 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023888 838223104 /nfs/dbraw/zinc/22/31/04/838223104.db2.gz YJKHCCRXZUCJPA-MCPWVCTESA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023888 838223111 /nfs/dbraw/zinc/22/31/11/838223111.db2.gz YJKHCCRXZUCJPA-MCPWVCTESA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023888 838223118 /nfs/dbraw/zinc/22/31/18/838223118.db2.gz YJKHCCRXZUCJPA-MCPWVCTESA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023888 838223126 /nfs/dbraw/zinc/22/31/26/838223126.db2.gz YJKHCCRXZUCJPA-MCPWVCTESA-N 2 2 350.463 0.547 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927675 844331564 /nfs/dbraw/zinc/33/15/64/844331564.db2.gz LENHRPQOHAVWIK-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927675 844331572 /nfs/dbraw/zinc/33/15/72/844331572.db2.gz LENHRPQOHAVWIK-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)on1 ZINC001077128106 838752331 /nfs/dbraw/zinc/75/23/31/838752331.db2.gz XBZOKYJGQLULNA-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)on1 ZINC001077128106 838752338 /nfs/dbraw/zinc/75/23/38/838752338.db2.gz XBZOKYJGQLULNA-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001077128106 838752345 /nfs/dbraw/zinc/75/23/45/838752345.db2.gz XBZOKYJGQLULNA-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)on1 ZINC001077128106 838752350 /nfs/dbraw/zinc/75/23/50/838752350.db2.gz XBZOKYJGQLULNA-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259282 838856746 /nfs/dbraw/zinc/85/67/46/838856746.db2.gz MWQBQAVDYDRNKV-NUEKZKHPSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259282 838856755 /nfs/dbraw/zinc/85/67/55/838856755.db2.gz MWQBQAVDYDRNKV-NUEKZKHPSA-N 2 2 360.483 0.911 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030842 844390403 /nfs/dbraw/zinc/39/04/03/844390403.db2.gz GMWUGEPYVDAOTQ-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030842 844390406 /nfs/dbraw/zinc/39/04/06/844390406.db2.gz GMWUGEPYVDAOTQ-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)s1 ZINC001077676728 839103281 /nfs/dbraw/zinc/10/32/81/839103281.db2.gz HHNNMILSUSDOSX-KCPJHIHWSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)s1 ZINC001077676728 839103287 /nfs/dbraw/zinc/10/32/87/839103287.db2.gz HHNNMILSUSDOSX-KCPJHIHWSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001077676728 839103291 /nfs/dbraw/zinc/10/32/91/839103291.db2.gz HHNNMILSUSDOSX-KCPJHIHWSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001077676728 839103294 /nfs/dbraw/zinc/10/32/94/839103294.db2.gz HHNNMILSUSDOSX-KCPJHIHWSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)s1 ZINC001077676729 839103699 /nfs/dbraw/zinc/10/36/99/839103699.db2.gz HHNNMILSUSDOSX-NILFDRSVSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)s1 ZINC001077676729 839103702 /nfs/dbraw/zinc/10/37/02/839103702.db2.gz HHNNMILSUSDOSX-NILFDRSVSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)s1 ZINC001077676729 839103710 /nfs/dbraw/zinc/10/37/10/839103710.db2.gz HHNNMILSUSDOSX-NILFDRSVSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)s1 ZINC001077676729 839103717 /nfs/dbraw/zinc/10/37/17/839103717.db2.gz HHNNMILSUSDOSX-NILFDRSVSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679350 839106875 /nfs/dbraw/zinc/10/68/75/839106875.db2.gz PLULXUUCZIRHCM-IUIKQTSFSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679350 839106883 /nfs/dbraw/zinc/10/68/83/839106883.db2.gz PLULXUUCZIRHCM-IUIKQTSFSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679350 839106888 /nfs/dbraw/zinc/10/68/88/839106888.db2.gz PLULXUUCZIRHCM-IUIKQTSFSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679350 839106891 /nfs/dbraw/zinc/10/68/91/839106891.db2.gz PLULXUUCZIRHCM-IUIKQTSFSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC001077679356 839107914 /nfs/dbraw/zinc/10/79/14/839107914.db2.gz PQEPPRISCKXPTF-NILFDRSVSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001077679356 839107917 /nfs/dbraw/zinc/10/79/17/839107917.db2.gz PQEPPRISCKXPTF-NILFDRSVSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001077679356 839107919 /nfs/dbraw/zinc/10/79/19/839107919.db2.gz PQEPPRISCKXPTF-NILFDRSVSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001077679356 839107924 /nfs/dbraw/zinc/10/79/24/839107924.db2.gz PQEPPRISCKXPTF-NILFDRSVSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685528 839112611 /nfs/dbraw/zinc/11/26/11/839112611.db2.gz WQNGXWKKPQIDQH-HUUCEWRRSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685528 839112622 /nfs/dbraw/zinc/11/26/22/839112622.db2.gz WQNGXWKKPQIDQH-HUUCEWRRSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685528 839112629 /nfs/dbraw/zinc/11/26/29/839112629.db2.gz WQNGXWKKPQIDQH-HUUCEWRRSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685528 839112636 /nfs/dbraw/zinc/11/26/36/839112636.db2.gz WQNGXWKKPQIDQH-HUUCEWRRSA-N 2 2 366.531 0.887 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102080183 844407710 /nfs/dbraw/zinc/40/77/10/844407710.db2.gz UWNRSXKQMAVWGA-FVQBIDKESA-N 2 2 352.479 0.618 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102080183 844407715 /nfs/dbraw/zinc/40/77/15/844407715.db2.gz UWNRSXKQMAVWGA-FVQBIDKESA-N 2 2 352.479 0.618 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085044 844407830 /nfs/dbraw/zinc/40/78/30/844407830.db2.gz WOEKOVPDYXIBNL-BMFZPTHFSA-N 2 2 351.447 0.324 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085044 844407834 /nfs/dbraw/zinc/40/78/34/844407834.db2.gz WOEKOVPDYXIBNL-BMFZPTHFSA-N 2 2 351.447 0.324 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077892747 839211934 /nfs/dbraw/zinc/21/19/34/839211934.db2.gz ICLGUBIOQDYRSE-BRWVUGGUSA-N 2 2 353.507 0.695 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077892747 839211949 /nfs/dbraw/zinc/21/19/49/839211949.db2.gz ICLGUBIOQDYRSE-BRWVUGGUSA-N 2 2 353.507 0.695 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001078007755 839289769 /nfs/dbraw/zinc/28/97/69/839289769.db2.gz ZMMAJHFKGFIQAR-BRWVUGGUSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001078007755 839289784 /nfs/dbraw/zinc/28/97/84/839289784.db2.gz ZMMAJHFKGFIQAR-BRWVUGGUSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001078009505 839290568 /nfs/dbraw/zinc/29/05/68/839290568.db2.gz DUXNCCIYFUITRR-IXDOHACOSA-N 2 2 350.463 0.065 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001078009505 839290583 /nfs/dbraw/zinc/29/05/83/839290583.db2.gz DUXNCCIYFUITRR-IXDOHACOSA-N 2 2 350.463 0.065 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)s1 ZINC001078018032 839295253 /nfs/dbraw/zinc/29/52/53/839295253.db2.gz KJSXAZFMYNMTTD-GDBMZVCRSA-N 2 2 361.471 0.888 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)s1 ZINC001078018032 839295263 /nfs/dbraw/zinc/29/52/63/839295263.db2.gz KJSXAZFMYNMTTD-GDBMZVCRSA-N 2 2 361.471 0.888 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174794 839381789 /nfs/dbraw/zinc/38/17/89/839381789.db2.gz SKTMYGXAIFQYDV-BPLDGKMQSA-N 2 2 361.471 0.304 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174794 839381803 /nfs/dbraw/zinc/38/18/03/839381803.db2.gz SKTMYGXAIFQYDV-BPLDGKMQSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174794 839381817 /nfs/dbraw/zinc/38/18/17/839381817.db2.gz SKTMYGXAIFQYDV-BPLDGKMQSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174794 839381825 /nfs/dbraw/zinc/38/18/25/839381825.db2.gz SKTMYGXAIFQYDV-BPLDGKMQSA-N 2 2 361.471 0.304 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001079951507 839629642 /nfs/dbraw/zinc/62/96/42/839629642.db2.gz QSMFGLLWJRJGKO-QHSBEEBCSA-N 2 2 368.503 0.807 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001079951507 839629648 /nfs/dbraw/zinc/62/96/48/839629648.db2.gz QSMFGLLWJRJGKO-QHSBEEBCSA-N 2 2 368.503 0.807 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001079951507 839629656 /nfs/dbraw/zinc/62/96/56/839629656.db2.gz QSMFGLLWJRJGKO-QHSBEEBCSA-N 2 2 368.503 0.807 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001079951507 839629661 /nfs/dbraw/zinc/62/96/61/839629661.db2.gz QSMFGLLWJRJGKO-QHSBEEBCSA-N 2 2 368.503 0.807 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325050 839703647 /nfs/dbraw/zinc/70/36/47/839703647.db2.gz OOKPKHRNMGBYOB-BPLDGKMQSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325050 839703654 /nfs/dbraw/zinc/70/36/54/839703654.db2.gz OOKPKHRNMGBYOB-BPLDGKMQSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325050 839703660 /nfs/dbraw/zinc/70/36/60/839703660.db2.gz OOKPKHRNMGBYOB-BPLDGKMQSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325050 839703664 /nfs/dbraw/zinc/70/36/64/839703664.db2.gz OOKPKHRNMGBYOB-BPLDGKMQSA-N 2 2 367.519 0.892 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446356 839727679 /nfs/dbraw/zinc/72/76/79/839727679.db2.gz IYVFRLSVFWLTKZ-ZMSDIMECSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446356 839727688 /nfs/dbraw/zinc/72/76/88/839727688.db2.gz IYVFRLSVFWLTKZ-ZMSDIMECSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446356 839727697 /nfs/dbraw/zinc/72/76/97/839727697.db2.gz IYVFRLSVFWLTKZ-ZMSDIMECSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446356 839727706 /nfs/dbraw/zinc/72/77/06/839727706.db2.gz IYVFRLSVFWLTKZ-ZMSDIMECSA-N 2 2 350.507 0.824 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997776 839857509 /nfs/dbraw/zinc/85/75/09/839857509.db2.gz KMZDUWGFYHAZPQ-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997776 839857517 /nfs/dbraw/zinc/85/75/17/839857517.db2.gz KMZDUWGFYHAZPQ-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997776 839857527 /nfs/dbraw/zinc/85/75/27/839857527.db2.gz KMZDUWGFYHAZPQ-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997776 839857534 /nfs/dbraw/zinc/85/75/34/839857534.db2.gz KMZDUWGFYHAZPQ-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672568 839994477 /nfs/dbraw/zinc/99/44/77/839994477.db2.gz AQJJLBFTWKPERF-ARFHVFGLSA-N 2 2 350.488 0.800 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672568 839994484 /nfs/dbraw/zinc/99/44/84/839994484.db2.gz AQJJLBFTWKPERF-ARFHVFGLSA-N 2 2 350.488 0.800 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686159 840000195 /nfs/dbraw/zinc/00/01/95/840000195.db2.gz IFMDVKJIZNWDBY-FAKDPMAQSA-N 2 2 355.870 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686159 840000203 /nfs/dbraw/zinc/00/02/03/840000203.db2.gz IFMDVKJIZNWDBY-FAKDPMAQSA-N 2 2 355.870 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082019765 840147555 /nfs/dbraw/zinc/14/75/55/840147555.db2.gz NTOYIDUZHNWUDU-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082019765 840147563 /nfs/dbraw/zinc/14/75/63/840147563.db2.gz NTOYIDUZHNWUDU-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)no1 ZINC001102466264 844509966 /nfs/dbraw/zinc/50/99/66/844509966.db2.gz LKWMCRGZFLLZQY-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)no1 ZINC001102466264 844509969 /nfs/dbraw/zinc/50/99/69/844509969.db2.gz LKWMCRGZFLLZQY-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102466714 844509988 /nfs/dbraw/zinc/50/99/88/844509988.db2.gz SNFFWFVRMCNQPB-GDBMZVCRSA-N 2 2 370.519 0.700 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001102466714 844509994 /nfs/dbraw/zinc/50/99/94/844509994.db2.gz SNFFWFVRMCNQPB-GDBMZVCRSA-N 2 2 370.519 0.700 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482779 844521754 /nfs/dbraw/zinc/52/17/54/844521754.db2.gz IZXFHGBWOZJKJX-TZMCWYRMSA-N 2 2 363.487 0.868 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482779 844521763 /nfs/dbraw/zinc/52/17/63/844521763.db2.gz IZXFHGBWOZJKJX-TZMCWYRMSA-N 2 2 363.487 0.868 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327438 840312222 /nfs/dbraw/zinc/31/22/22/840312222.db2.gz TYAMOGZKBLNWOQ-GVDBMIGSSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327438 840312236 /nfs/dbraw/zinc/31/22/36/840312236.db2.gz TYAMOGZKBLNWOQ-GVDBMIGSSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1)C1CCCC1 ZINC001082394894 840388395 /nfs/dbraw/zinc/38/83/95/840388395.db2.gz LFASMVYAJVHZFT-BRWVUGGUSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1)C1CCCC1 ZINC001082394894 840388404 /nfs/dbraw/zinc/38/84/04/840388404.db2.gz LFASMVYAJVHZFT-BRWVUGGUSA-N 2 2 350.463 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cnns1 ZINC001082557873 840465427 /nfs/dbraw/zinc/46/54/27/840465427.db2.gz MAUNBXAWUKVJJT-BPLDGKMQSA-N 2 2 363.491 0.302 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082702773 840529886 /nfs/dbraw/zinc/52/98/86/840529886.db2.gz HXAXNGZUOWMKQC-BPLDGKMQSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082702773 840529894 /nfs/dbraw/zinc/52/98/94/840529894.db2.gz HXAXNGZUOWMKQC-BPLDGKMQSA-N 2 2 351.451 0.424 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001082703098 840530595 /nfs/dbraw/zinc/53/05/95/840530595.db2.gz XTNNHNMKKAAULB-BPLDGKMQSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001082703098 840530600 /nfs/dbraw/zinc/53/06/00/840530600.db2.gz XTNNHNMKKAAULB-BPLDGKMQSA-N 2 2 353.492 0.584 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001082741050 840542789 /nfs/dbraw/zinc/54/27/89/840542789.db2.gz NUTGBDPAYOAUGH-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)n1 ZINC001082741050 840542800 /nfs/dbraw/zinc/54/28/00/840542800.db2.gz NUTGBDPAYOAUGH-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082807916 840570202 /nfs/dbraw/zinc/57/02/02/840570202.db2.gz KPOQNFDSMYHRMP-ZIAGYGMSSA-N 2 2 369.897 0.732 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001082884281 840590670 /nfs/dbraw/zinc/59/06/70/840590670.db2.gz LDEVRAXDMVAPOF-IAQYHMDHSA-N 2 2 363.487 0.929 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035649 840667595 /nfs/dbraw/zinc/66/75/95/840667595.db2.gz YKAZRQFNWRLXQS-BBWFWOEESA-N 2 2 351.491 0.665 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035649 840667599 /nfs/dbraw/zinc/66/75/99/840667599.db2.gz YKAZRQFNWRLXQS-BBWFWOEESA-N 2 2 351.491 0.665 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035649 840667605 /nfs/dbraw/zinc/66/76/05/840667605.db2.gz YKAZRQFNWRLXQS-BBWFWOEESA-N 2 2 351.491 0.665 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035649 840667612 /nfs/dbraw/zinc/66/76/12/840667612.db2.gz YKAZRQFNWRLXQS-BBWFWOEESA-N 2 2 351.491 0.665 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035401 840667681 /nfs/dbraw/zinc/66/76/81/840667681.db2.gz PMKLQBMCSOFKKB-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035401 840667688 /nfs/dbraw/zinc/66/76/88/840667688.db2.gz PMKLQBMCSOFKKB-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035401 840667693 /nfs/dbraw/zinc/66/76/93/840667693.db2.gz PMKLQBMCSOFKKB-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035401 840667698 /nfs/dbraw/zinc/66/76/98/840667698.db2.gz PMKLQBMCSOFKKB-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035400 840668054 /nfs/dbraw/zinc/66/80/54/840668054.db2.gz PMKLQBMCSOFKKB-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035400 840668065 /nfs/dbraw/zinc/66/80/65/840668065.db2.gz PMKLQBMCSOFKKB-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035400 840668070 /nfs/dbraw/zinc/66/80/70/840668070.db2.gz PMKLQBMCSOFKKB-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCCC4)C[C@@H]32)C1 ZINC001083035400 840668074 /nfs/dbraw/zinc/66/80/74/840668074.db2.gz PMKLQBMCSOFKKB-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC001083083615 840697139 /nfs/dbraw/zinc/69/71/39/840697139.db2.gz CDRUDCAXSUBOFY-IXDOHACOSA-N 2 2 362.499 0.897 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC001083083615 840697144 /nfs/dbraw/zinc/69/71/44/840697144.db2.gz CDRUDCAXSUBOFY-IXDOHACOSA-N 2 2 362.499 0.897 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC001083248500 840831203 /nfs/dbraw/zinc/83/12/03/840831203.db2.gz JYCXXNBCDLAOKX-LSDHHAIUSA-N 2 2 354.401 0.920 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC001083248500 840831214 /nfs/dbraw/zinc/83/12/14/840831214.db2.gz JYCXXNBCDLAOKX-LSDHHAIUSA-N 2 2 354.401 0.920 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275318 840855861 /nfs/dbraw/zinc/85/58/61/840855861.db2.gz YBUKMZWJPWDWKT-VNQPRFMTSA-N 2 2 367.881 0.400 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275318 840855867 /nfs/dbraw/zinc/85/58/67/840855867.db2.gz YBUKMZWJPWDWKT-VNQPRFMTSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275318 840855878 /nfs/dbraw/zinc/85/58/78/840855878.db2.gz YBUKMZWJPWDWKT-VNQPRFMTSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275318 840855888 /nfs/dbraw/zinc/85/58/88/840855888.db2.gz YBUKMZWJPWDWKT-VNQPRFMTSA-N 2 2 367.881 0.400 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369438 840941675 /nfs/dbraw/zinc/94/16/75/840941675.db2.gz XMZQNUZREUYORR-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369438 840941680 /nfs/dbraw/zinc/94/16/80/840941680.db2.gz XMZQNUZREUYORR-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369438 840941689 /nfs/dbraw/zinc/94/16/89/840941689.db2.gz XMZQNUZREUYORR-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083369438 840941694 /nfs/dbraw/zinc/94/16/94/840941694.db2.gz XMZQNUZREUYORR-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506137 841092564 /nfs/dbraw/zinc/09/25/64/841092564.db2.gz RPGNMYBEZMAWAY-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506137 841092572 /nfs/dbraw/zinc/09/25/72/841092572.db2.gz RPGNMYBEZMAWAY-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506137 841092584 /nfs/dbraw/zinc/09/25/84/841092584.db2.gz RPGNMYBEZMAWAY-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506137 841092592 /nfs/dbraw/zinc/09/25/92/841092592.db2.gz RPGNMYBEZMAWAY-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521779 841118525 /nfs/dbraw/zinc/11/85/25/841118525.db2.gz HENHCESBYTWZDX-IMJJTQAJSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521779 841118528 /nfs/dbraw/zinc/11/85/28/841118528.db2.gz HENHCESBYTWZDX-IMJJTQAJSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521779 841118530 /nfs/dbraw/zinc/11/85/30/841118530.db2.gz HENHCESBYTWZDX-IMJJTQAJSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083521779 841118533 /nfs/dbraw/zinc/11/85/33/841118533.db2.gz HENHCESBYTWZDX-IMJJTQAJSA-N 2 2 352.504 0.782 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522199 841119468 /nfs/dbraw/zinc/11/94/68/841119468.db2.gz XBZOKYJGQLULNA-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522199 841119474 /nfs/dbraw/zinc/11/94/74/841119474.db2.gz XBZOKYJGQLULNA-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522199 841119478 /nfs/dbraw/zinc/11/94/78/841119478.db2.gz XBZOKYJGQLULNA-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522199 841119484 /nfs/dbraw/zinc/11/94/84/841119484.db2.gz XBZOKYJGQLULNA-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001083566592 841178437 /nfs/dbraw/zinc/17/84/37/841178437.db2.gz SAKWEUIZQYCPIT-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001083566592 841178441 /nfs/dbraw/zinc/17/84/41/841178441.db2.gz SAKWEUIZQYCPIT-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001083566592 841178442 /nfs/dbraw/zinc/17/84/42/841178442.db2.gz SAKWEUIZQYCPIT-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O)O1 ZINC001083566592 841178445 /nfs/dbraw/zinc/17/84/45/841178445.db2.gz SAKWEUIZQYCPIT-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725973 841366237 /nfs/dbraw/zinc/36/62/37/841366237.db2.gz VSOCPRMBSVQVPM-ILXRZTDVSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725973 841366249 /nfs/dbraw/zinc/36/62/49/841366249.db2.gz VSOCPRMBSVQVPM-ILXRZTDVSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725973 841366261 /nfs/dbraw/zinc/36/62/61/841366261.db2.gz VSOCPRMBSVQVPM-ILXRZTDVSA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725973 841366274 /nfs/dbraw/zinc/36/62/74/841366274.db2.gz VSOCPRMBSVQVPM-ILXRZTDVSA-N 2 2 368.503 0.222 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083733556 841376087 /nfs/dbraw/zinc/37/60/87/841376087.db2.gz SYFGNFQTCIOTIT-XHSDSOJGSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001083733556 841376100 /nfs/dbraw/zinc/37/61/00/841376100.db2.gz SYFGNFQTCIOTIT-XHSDSOJGSA-N 2 2 351.447 0.685 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)s1 ZINC001083778274 841422316 /nfs/dbraw/zinc/42/23/16/841422316.db2.gz HHNNMILSUSDOSX-DFBGVHRSSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)s1 ZINC001083778274 841422322 /nfs/dbraw/zinc/42/23/22/841422322.db2.gz HHNNMILSUSDOSX-DFBGVHRSSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)s1 ZINC001083778274 841422327 /nfs/dbraw/zinc/42/23/27/841422327.db2.gz HHNNMILSUSDOSX-DFBGVHRSSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)s1 ZINC001083778274 841422332 /nfs/dbraw/zinc/42/23/32/841422332.db2.gz HHNNMILSUSDOSX-DFBGVHRSSA-N 2 2 352.504 0.906 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001083954141 841601083 /nfs/dbraw/zinc/60/10/83/841601083.db2.gz MVULVSXFMGGXEO-YUELXQCFSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001083954141 841601088 /nfs/dbraw/zinc/60/10/88/841601088.db2.gz MVULVSXFMGGXEO-YUELXQCFSA-N 2 2 356.417 0.949 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083954349 841601348 /nfs/dbraw/zinc/60/13/48/841601348.db2.gz WHIXGYHDMIJCQZ-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083954349 841601354 /nfs/dbraw/zinc/60/13/54/841601354.db2.gz WHIXGYHDMIJCQZ-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001083954349 841601359 /nfs/dbraw/zinc/60/13/59/841601359.db2.gz WHIXGYHDMIJCQZ-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)o1 ZINC001083954349 841601368 /nfs/dbraw/zinc/60/13/68/841601368.db2.gz WHIXGYHDMIJCQZ-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001275845112 861224684 /nfs/dbraw/zinc/22/46/84/861224684.db2.gz XBQILCIVPMZQGP-IBGZPJMESA-N 2 2 351.539 0.252 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345600 841773316 /nfs/dbraw/zinc/77/33/16/841773316.db2.gz IIMSZAMDCYBGAB-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345600 841773322 /nfs/dbraw/zinc/77/33/22/841773322.db2.gz IIMSZAMDCYBGAB-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738792 841905180 /nfs/dbraw/zinc/90/51/80/841905180.db2.gz CIKAWMDQIHSRBO-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738792 841905189 /nfs/dbraw/zinc/90/51/89/841905189.db2.gz CIKAWMDQIHSRBO-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001085671266 842111973 /nfs/dbraw/zinc/11/19/73/842111973.db2.gz SEWYONSQIXEVPH-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001085671266 842111976 /nfs/dbraw/zinc/11/19/76/842111976.db2.gz SEWYONSQIXEVPH-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCn2cc(Cl)cn2)O1 ZINC001085671266 842111981 /nfs/dbraw/zinc/11/19/81/842111981.db2.gz SEWYONSQIXEVPH-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCn2cc(Cl)cn2)O1 ZINC001085671266 842111985 /nfs/dbraw/zinc/11/19/85/842111985.db2.gz SEWYONSQIXEVPH-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120882 842122426 /nfs/dbraw/zinc/12/24/26/842122426.db2.gz RCXFDAAQPUCSNK-HGTKMLMNSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120882 842122442 /nfs/dbraw/zinc/12/24/42/842122442.db2.gz RCXFDAAQPUCSNK-HGTKMLMNSA-N 2 2 350.467 0.002 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC001086880836 842190577 /nfs/dbraw/zinc/19/05/77/842190577.db2.gz QZLBNKAIECLCKF-ZNMIVQPWSA-N 2 2 351.451 0.473 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC001086880836 842190582 /nfs/dbraw/zinc/19/05/82/842190582.db2.gz QZLBNKAIECLCKF-ZNMIVQPWSA-N 2 2 351.451 0.473 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087059076 842253702 /nfs/dbraw/zinc/25/37/02/842253702.db2.gz PPCRKWBORDOEEU-ZMSDIMECSA-N 2 2 350.463 0.832 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087059076 842253708 /nfs/dbraw/zinc/25/37/08/842253708.db2.gz PPCRKWBORDOEEU-ZMSDIMECSA-N 2 2 350.463 0.832 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087103929 842292454 /nfs/dbraw/zinc/29/24/54/842292454.db2.gz HWROUUQTTSVHPN-TZMCWYRMSA-N 2 2 350.448 0.388 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001087104051 842292789 /nfs/dbraw/zinc/29/27/89/842292789.db2.gz NDOWIOOZBMXTGW-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001087231163 842321869 /nfs/dbraw/zinc/32/18/69/842321869.db2.gz HMFVFSZLZRJRKP-KFWWJZLASA-N 2 2 368.503 0.604 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nncs2)C1 ZINC001087247979 842324822 /nfs/dbraw/zinc/32/48/22/842324822.db2.gz JROMMOHBDNYJNJ-ILXRZTDVSA-N 2 2 367.519 0.976 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nncs2)C1 ZINC001087247979 842324833 /nfs/dbraw/zinc/32/48/33/842324833.db2.gz JROMMOHBDNYJNJ-ILXRZTDVSA-N 2 2 367.519 0.976 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920565 842471771 /nfs/dbraw/zinc/47/17/71/842471771.db2.gz UENNLKQQGHTYTA-ILXRZTDVSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920565 842471778 /nfs/dbraw/zinc/47/17/78/842471778.db2.gz UENNLKQQGHTYTA-ILXRZTDVSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920565 842471785 /nfs/dbraw/zinc/47/17/85/842471785.db2.gz UENNLKQQGHTYTA-ILXRZTDVSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920565 842471791 /nfs/dbraw/zinc/47/17/91/842471791.db2.gz UENNLKQQGHTYTA-ILXRZTDVSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088493336 842586387 /nfs/dbraw/zinc/58/63/87/842586387.db2.gz IAWOGXWUZJGPFL-QLFBSQMISA-N 2 2 352.504 0.891 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088493336 842586397 /nfs/dbraw/zinc/58/63/97/842586397.db2.gz IAWOGXWUZJGPFL-QLFBSQMISA-N 2 2 352.504 0.891 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493336 842586405 /nfs/dbraw/zinc/58/64/05/842586405.db2.gz IAWOGXWUZJGPFL-QLFBSQMISA-N 2 2 352.504 0.891 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493336 842586415 /nfs/dbraw/zinc/58/64/15/842586415.db2.gz IAWOGXWUZJGPFL-QLFBSQMISA-N 2 2 352.504 0.891 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811215 842683721 /nfs/dbraw/zinc/68/37/21/842683721.db2.gz QYAOYFFQRRVRDY-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811215 842683730 /nfs/dbraw/zinc/68/37/30/842683730.db2.gz QYAOYFFQRRVRDY-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811215 842683738 /nfs/dbraw/zinc/68/37/38/842683738.db2.gz QYAOYFFQRRVRDY-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811215 842683744 /nfs/dbraw/zinc/68/37/44/842683744.db2.gz QYAOYFFQRRVRDY-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(=O)N(C)C ZINC001088860278 842698479 /nfs/dbraw/zinc/69/84/79/842698479.db2.gz DJOMIYVNMLRFKE-GLJUWKHASA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(=O)N(C)C ZINC001088860278 842698485 /nfs/dbraw/zinc/69/84/85/842698485.db2.gz DJOMIYVNMLRFKE-GLJUWKHASA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)N(C)C ZINC001088860278 842698489 /nfs/dbraw/zinc/69/84/89/842698489.db2.gz DJOMIYVNMLRFKE-GLJUWKHASA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)N(C)C ZINC001088860278 842698495 /nfs/dbraw/zinc/69/84/95/842698495.db2.gz DJOMIYVNMLRFKE-GLJUWKHASA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCS(C)(=O)=O ZINC001089060248 842764248 /nfs/dbraw/zinc/76/42/48/842764248.db2.gz AOZVYJZHEYBLRK-PBHICJAKSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1CCS(C)(=O)=O ZINC001089060248 842764255 /nfs/dbraw/zinc/76/42/55/842764255.db2.gz AOZVYJZHEYBLRK-PBHICJAKSA-N 2 2 367.515 0.985 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252817 861377126 /nfs/dbraw/zinc/37/71/26/861377126.db2.gz ZVMKZQIYZVEWHG-GUYCJALGSA-N 2 2 350.419 0.033 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252817 861377138 /nfs/dbraw/zinc/37/71/38/861377138.db2.gz ZVMKZQIYZVEWHG-GUYCJALGSA-N 2 2 350.419 0.033 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOC)C[C@@]2(C)C1 ZINC001091881651 843119126 /nfs/dbraw/zinc/11/91/26/843119126.db2.gz SVCATHYPAOBFNG-LMMKCTJWSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOC)C[C@@]2(C)C1 ZINC001091881651 843119132 /nfs/dbraw/zinc/11/91/32/843119132.db2.gz SVCATHYPAOBFNG-LMMKCTJWSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCOC)C[C@@]2(C)C1 ZINC001091881651 843119138 /nfs/dbraw/zinc/11/91/38/843119138.db2.gz SVCATHYPAOBFNG-LMMKCTJWSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCOC)C[C@@]2(C)C1 ZINC001091881651 843119147 /nfs/dbraw/zinc/11/91/47/843119147.db2.gz SVCATHYPAOBFNG-LMMKCTJWSA-N 2 2 353.507 0.914 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504685 843221928 /nfs/dbraw/zinc/22/19/28/843221928.db2.gz WJOZVKAODGKKKL-KFWWJZLASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504685 843221933 /nfs/dbraw/zinc/22/19/33/843221933.db2.gz WJOZVKAODGKKKL-KFWWJZLASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504685 843221944 /nfs/dbraw/zinc/22/19/44/843221944.db2.gz WJOZVKAODGKKKL-KFWWJZLASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504685 843221954 /nfs/dbraw/zinc/22/19/54/843221954.db2.gz WJOZVKAODGKKKL-KFWWJZLASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092503582 843222088 /nfs/dbraw/zinc/22/20/88/843222088.db2.gz AGVJTTMEXQATJV-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092503582 843222091 /nfs/dbraw/zinc/22/20/91/843222091.db2.gz AGVJTTMEXQATJV-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092503582 843222099 /nfs/dbraw/zinc/22/20/99/843222099.db2.gz AGVJTTMEXQATJV-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092503582 843222107 /nfs/dbraw/zinc/22/21/07/843222107.db2.gz AGVJTTMEXQATJV-MGPQQGTHSA-N 2 2 365.503 0.860 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524290 843230791 /nfs/dbraw/zinc/23/07/91/843230791.db2.gz VYFMZBITQRFPEN-XPKDYRNWSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524290 843230802 /nfs/dbraw/zinc/23/08/02/843230802.db2.gz VYFMZBITQRFPEN-XPKDYRNWSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524290 843230812 /nfs/dbraw/zinc/23/08/12/843230812.db2.gz VYFMZBITQRFPEN-XPKDYRNWSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524290 843230821 /nfs/dbraw/zinc/23/08/21/843230821.db2.gz VYFMZBITQRFPEN-XPKDYRNWSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725483 843284988 /nfs/dbraw/zinc/28/49/88/843284988.db2.gz MVJRCLRLFCEKDV-ZNEHSRBWSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725483 843284996 /nfs/dbraw/zinc/28/49/96/843284996.db2.gz MVJRCLRLFCEKDV-ZNEHSRBWSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725483 843285002 /nfs/dbraw/zinc/28/50/02/843285002.db2.gz MVJRCLRLFCEKDV-ZNEHSRBWSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725483 843285010 /nfs/dbraw/zinc/28/50/10/843285010.db2.gz MVJRCLRLFCEKDV-ZNEHSRBWSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725027 843286266 /nfs/dbraw/zinc/28/62/66/843286266.db2.gz XVUJEVWBHJQGPO-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725027 843286278 /nfs/dbraw/zinc/28/62/78/843286278.db2.gz XVUJEVWBHJQGPO-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725027 843286290 /nfs/dbraw/zinc/28/62/90/843286290.db2.gz XVUJEVWBHJQGPO-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725027 843286299 /nfs/dbraw/zinc/28/62/99/843286299.db2.gz XVUJEVWBHJQGPO-DNNBLBMLSA-N 2 2 350.463 0.886 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208774 843406550 /nfs/dbraw/zinc/40/65/50/843406550.db2.gz GDWZYBXWKDBPQC-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208774 843406558 /nfs/dbraw/zinc/40/65/58/843406558.db2.gz GDWZYBXWKDBPQC-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208774 843406565 /nfs/dbraw/zinc/40/65/65/843406565.db2.gz GDWZYBXWKDBPQC-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208774 843406569 /nfs/dbraw/zinc/40/65/69/843406569.db2.gz GDWZYBXWKDBPQC-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093471003 843439745 /nfs/dbraw/zinc/43/97/45/843439745.db2.gz BMKGCIIYASNOEE-AHCXZYCDSA-N 2 2 352.454 0.898 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001093673196 843453324 /nfs/dbraw/zinc/45/33/24/843453324.db2.gz LLGWRXANFGLIKL-MGPQQGTHSA-N 2 2 366.535 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001093673196 843453329 /nfs/dbraw/zinc/45/33/29/843453329.db2.gz LLGWRXANFGLIKL-MGPQQGTHSA-N 2 2 366.535 0.882 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)on1 ZINC001093691487 843457122 /nfs/dbraw/zinc/45/71/22/843457122.db2.gz YJRMJWGGJNNXBZ-UMVBOHGHSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)on1 ZINC001093691487 843457130 /nfs/dbraw/zinc/45/71/30/843457130.db2.gz YJRMJWGGJNNXBZ-UMVBOHGHSA-N 2 2 352.435 0.198 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093951314 843495022 /nfs/dbraw/zinc/49/50/22/843495022.db2.gz GVJWFCQVQAEUPH-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094074510 843508658 /nfs/dbraw/zinc/50/86/58/843508658.db2.gz DUNCSAOALZVWON-UKRRQHHQSA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001094110809 843517003 /nfs/dbraw/zinc/51/70/03/843517003.db2.gz PGIRCZURJAJDOE-ZIAGYGMSSA-N 2 2 353.492 0.445 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC001094189945 843527959 /nfs/dbraw/zinc/52/79/59/843527959.db2.gz UBXOJXYZRYZBRD-VHDGCEQUSA-N 2 2 368.503 0.379 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094449971 843554176 /nfs/dbraw/zinc/55/41/76/843554176.db2.gz BXSBBRWKCKBVHN-JFIYKMOQSA-N 2 2 371.547 0.876 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094449971 843554186 /nfs/dbraw/zinc/55/41/86/843554186.db2.gz BXSBBRWKCKBVHN-JFIYKMOQSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001094449971 843554193 /nfs/dbraw/zinc/55/41/93/843554193.db2.gz BXSBBRWKCKBVHN-JFIYKMOQSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001094449971 843554206 /nfs/dbraw/zinc/55/42/06/843554206.db2.gz BXSBBRWKCKBVHN-JFIYKMOQSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ncc(F)cn3)CC2)CC[N@@H+]1C ZINC001096305650 843790151 /nfs/dbraw/zinc/79/01/51/843790151.db2.gz GDBVYAXAEFEORC-UKRRQHHQSA-N 2 2 350.442 0.194 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ncc(F)cn3)CC2)CC[N@H+]1C ZINC001096305650 843790157 /nfs/dbraw/zinc/79/01/57/843790157.db2.gz GDBVYAXAEFEORC-UKRRQHHQSA-N 2 2 350.442 0.194 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001098400582 843913938 /nfs/dbraw/zinc/91/39/38/843913938.db2.gz FOHZSVCZCLEODE-HZMVEIRTSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001098400582 843913941 /nfs/dbraw/zinc/91/39/41/843913941.db2.gz FOHZSVCZCLEODE-HZMVEIRTSA-N 2 2 369.531 0.629 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001099269174 843997936 /nfs/dbraw/zinc/99/79/36/843997936.db2.gz AENUHKMAZRSMLB-BXKDBHETSA-N 2 2 355.320 0.641 20 0 FCADLP C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136753 844705225 /nfs/dbraw/zinc/70/52/25/844705225.db2.gz QLEUAWULFVKRMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136753 844705229 /nfs/dbraw/zinc/70/52/29/844705229.db2.gz QLEUAWULFVKRMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2csnn2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136753 844705235 /nfs/dbraw/zinc/70/52/35/844705235.db2.gz QLEUAWULFVKRMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2csnn2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136753 844705240 /nfs/dbraw/zinc/70/52/40/844705240.db2.gz QLEUAWULFVKRMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258578 844727189 /nfs/dbraw/zinc/72/71/89/844727189.db2.gz HDAIJNXSWNDMIC-HZPDHXFCSA-N 2 2 352.479 0.436 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258578 844727196 /nfs/dbraw/zinc/72/71/96/844727196.db2.gz HDAIJNXSWNDMIC-HZPDHXFCSA-N 2 2 352.479 0.436 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258727 844727602 /nfs/dbraw/zinc/72/76/02/844727602.db2.gz PEHYEBSBUMWKBX-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103258727 844727604 /nfs/dbraw/zinc/72/76/04/844727604.db2.gz PEHYEBSBUMWKBX-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103271333 844729907 /nfs/dbraw/zinc/72/99/07/844729907.db2.gz JTZIZQXBWDRKJJ-OAGGEKHMSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103271333 844729912 /nfs/dbraw/zinc/72/99/12/844729912.db2.gz JTZIZQXBWDRKJJ-OAGGEKHMSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103271333 844729917 /nfs/dbraw/zinc/72/99/17/844729917.db2.gz JTZIZQXBWDRKJJ-OAGGEKHMSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103271333 844729920 /nfs/dbraw/zinc/72/99/20/844729920.db2.gz JTZIZQXBWDRKJJ-OAGGEKHMSA-N 2 2 354.495 0.047 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276608814 861495841 /nfs/dbraw/zinc/49/58/41/861495841.db2.gz FFBRHJSGIZGQLE-MAUKXSAKSA-N 2 2 355.479 0.441 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276608814 861495842 /nfs/dbraw/zinc/49/58/42/861495842.db2.gz FFBRHJSGIZGQLE-MAUKXSAKSA-N 2 2 355.479 0.441 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609956 861497231 /nfs/dbraw/zinc/49/72/31/861497231.db2.gz NSFCWVXDULWRDZ-KSSFIOAISA-N 2 2 353.463 0.588 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609956 861497239 /nfs/dbraw/zinc/49/72/39/861497239.db2.gz NSFCWVXDULWRDZ-KSSFIOAISA-N 2 2 353.463 0.588 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740517 844813433 /nfs/dbraw/zinc/81/34/33/844813433.db2.gz KNUPNYXCBBLZRU-INMHGKMJSA-N 2 2 350.463 0.970 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740517 844813439 /nfs/dbraw/zinc/81/34/39/844813439.db2.gz KNUPNYXCBBLZRU-INMHGKMJSA-N 2 2 350.463 0.970 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740517 844813444 /nfs/dbraw/zinc/81/34/44/844813444.db2.gz KNUPNYXCBBLZRU-INMHGKMJSA-N 2 2 350.463 0.970 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740517 844813452 /nfs/dbraw/zinc/81/34/52/844813452.db2.gz KNUPNYXCBBLZRU-INMHGKMJSA-N 2 2 350.463 0.970 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276611842 861500360 /nfs/dbraw/zinc/50/03/60/861500360.db2.gz YBBBKOLNJIIIHN-GOSISDBHSA-N 2 2 352.479 0.258 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276611842 861500363 /nfs/dbraw/zinc/50/03/63/861500363.db2.gz YBBBKOLNJIIIHN-GOSISDBHSA-N 2 2 352.479 0.258 20 0 FCADLP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033783 844855891 /nfs/dbraw/zinc/85/58/91/844855891.db2.gz HCAGTODSUUPYGZ-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033783 844855898 /nfs/dbraw/zinc/85/58/98/844855898.db2.gz HCAGTODSUUPYGZ-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCOCCO ZINC001104315384 844893606 /nfs/dbraw/zinc/89/36/06/844893606.db2.gz QESIVZRERJHGDU-KLHDSHLOSA-N 2 2 350.463 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCOCCO ZINC001104315384 844893610 /nfs/dbraw/zinc/89/36/10/844893610.db2.gz QESIVZRERJHGDU-KLHDSHLOSA-N 2 2 350.463 0.596 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104452648 844914022 /nfs/dbraw/zinc/91/40/22/844914022.db2.gz PODZTFWWFVIZDO-OAGGEKHMSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104452648 844914027 /nfs/dbraw/zinc/91/40/27/844914027.db2.gz PODZTFWWFVIZDO-OAGGEKHMSA-N 2 2 354.495 0.047 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1cnon1 ZINC001104795570 844944661 /nfs/dbraw/zinc/94/46/61/844944661.db2.gz UJYHVEOLXCULAP-HUUCEWRRSA-N 2 2 351.451 0.366 20 0 FCADLP C[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001104839512 844950211 /nfs/dbraw/zinc/95/02/11/844950211.db2.gz DBMBIPIIAYWLOA-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655570 845010447 /nfs/dbraw/zinc/01/04/47/845010447.db2.gz JFEMQFWIYVOLEK-LMSBXDPUSA-N 2 2 350.463 0.301 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106278763 845147102 /nfs/dbraw/zinc/14/71/02/845147102.db2.gz JMTZYOQMEMRCTB-KBUPBQIOSA-N 2 2 368.503 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106278763 845147103 /nfs/dbraw/zinc/14/71/03/845147103.db2.gz JMTZYOQMEMRCTB-KBUPBQIOSA-N 2 2 368.503 0.632 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CCOCCO)[C@H](C)C2)c[nH+]1 ZINC001106308035 845152242 /nfs/dbraw/zinc/15/22/42/845152242.db2.gz YBAHQXZLLXUHJM-GDBMZVCRSA-N 2 2 352.479 0.620 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106419523 845172616 /nfs/dbraw/zinc/17/26/16/845172616.db2.gz OXEIWJAVFAXXGC-ZIAGYGMSSA-N 2 2 364.471 0.677 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC001106922965 845285954 /nfs/dbraw/zinc/28/59/54/845285954.db2.gz VFATZLKCRJWSMM-UMVBOHGHSA-N 2 2 370.519 0.625 20 0 FCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107012170 845310141 /nfs/dbraw/zinc/31/01/41/845310141.db2.gz YMFHPSXMDRKOEG-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107385994 845363908 /nfs/dbraw/zinc/36/39/08/845363908.db2.gz COVKZFBJRZHTFV-HDMKZQKVSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107385994 845363920 /nfs/dbraw/zinc/36/39/20/845363920.db2.gz COVKZFBJRZHTFV-HDMKZQKVSA-N 2 2 350.463 0.710 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107609829 845407310 /nfs/dbraw/zinc/40/73/10/845407310.db2.gz GLOQTVNCVUZKOU-SJLPKXTDSA-N 2 2 350.463 0.332 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107609829 845407318 /nfs/dbraw/zinc/40/73/18/845407318.db2.gz GLOQTVNCVUZKOU-SJLPKXTDSA-N 2 2 350.463 0.332 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610416 845408065 /nfs/dbraw/zinc/40/80/65/845408065.db2.gz YWZSEJAXERBYED-LZLYRXPVSA-N 2 2 350.463 0.331 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610416 845408069 /nfs/dbraw/zinc/40/80/69/845408069.db2.gz YWZSEJAXERBYED-LZLYRXPVSA-N 2 2 350.463 0.331 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107621867 845408792 /nfs/dbraw/zinc/40/87/92/845408792.db2.gz ZOAPCJICALLOMA-SJLPKXTDSA-N 2 2 350.463 0.630 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107621867 845408794 /nfs/dbraw/zinc/40/87/94/845408794.db2.gz ZOAPCJICALLOMA-SJLPKXTDSA-N 2 2 350.463 0.630 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](CCS(C)(=O)=O)CC2)C1=O ZINC001276743313 861570943 /nfs/dbraw/zinc/57/09/43/861570943.db2.gz KHOZSAWGPSLIKK-QGZVFWFLSA-N 2 2 368.503 0.669 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](CCS(C)(=O)=O)CC2)C1=O ZINC001276743313 861570953 /nfs/dbraw/zinc/57/09/53/861570953.db2.gz KHOZSAWGPSLIKK-QGZVFWFLSA-N 2 2 368.503 0.669 20 0 FCADLP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001276756650 861582929 /nfs/dbraw/zinc/58/29/29/861582929.db2.gz XTIXQIVISLHWFR-OAGGEKHMSA-N 2 2 353.463 0.334 20 0 FCADLP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001276756650 861582940 /nfs/dbraw/zinc/58/29/40/861582940.db2.gz XTIXQIVISLHWFR-OAGGEKHMSA-N 2 2 353.463 0.334 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758950 861586075 /nfs/dbraw/zinc/58/60/75/861586075.db2.gz XTXXMSDIBUVGMR-KDOFPFPSSA-N 2 2 350.463 0.186 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758950 861586086 /nfs/dbraw/zinc/58/60/86/861586086.db2.gz XTXXMSDIBUVGMR-KDOFPFPSSA-N 2 2 350.463 0.186 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109363324 845631476 /nfs/dbraw/zinc/63/14/76/845631476.db2.gz VDGZRFYBSJPNOO-WCVJEAGWSA-N 2 2 356.486 0.866 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109363324 845631477 /nfs/dbraw/zinc/63/14/77/845631477.db2.gz VDGZRFYBSJPNOO-WCVJEAGWSA-N 2 2 356.486 0.866 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109363478 845632286 /nfs/dbraw/zinc/63/22/86/845632286.db2.gz WUNXLJGMPHRWHJ-WCVJEAGWSA-N 2 2 354.470 0.620 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109363478 845632291 /nfs/dbraw/zinc/63/22/91/845632291.db2.gz WUNXLJGMPHRWHJ-WCVJEAGWSA-N 2 2 354.470 0.620 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001109648902 845704107 /nfs/dbraw/zinc/70/41/07/845704107.db2.gz IMQIAIRCBFHEDS-ILXRZTDVSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001109648902 845704113 /nfs/dbraw/zinc/70/41/13/845704113.db2.gz IMQIAIRCBFHEDS-ILXRZTDVSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653639 845705621 /nfs/dbraw/zinc/70/56/21/845705621.db2.gz AAVNLUDOHIZAIQ-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653639 845705630 /nfs/dbraw/zinc/70/56/30/845705630.db2.gz AAVNLUDOHIZAIQ-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668898 845709930 /nfs/dbraw/zinc/70/99/30/845709930.db2.gz GJSJMQMHJSABNO-IKGGRYGDSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668898 845709935 /nfs/dbraw/zinc/70/99/35/845709935.db2.gz GJSJMQMHJSABNO-IKGGRYGDSA-N 2 2 350.507 0.822 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1)[NH+](C)C ZINC001109731968 845722237 /nfs/dbraw/zinc/72/22/37/845722237.db2.gz VYUMSGKWODDSQC-QZWWFDLISA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1)[NH+](C)C ZINC001109731968 845722241 /nfs/dbraw/zinc/72/22/41/845722241.db2.gz VYUMSGKWODDSQC-QZWWFDLISA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC1 ZINC001109799004 845738146 /nfs/dbraw/zinc/73/81/46/845738146.db2.gz DHMISPGXTXWMOM-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC1 ZINC001109799004 845738153 /nfs/dbraw/zinc/73/81/53/845738153.db2.gz DHMISPGXTXWMOM-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928418 845761735 /nfs/dbraw/zinc/76/17/35/845761735.db2.gz VFSDBNSHGCVZBV-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928418 845761743 /nfs/dbraw/zinc/76/17/43/845761743.db2.gz VFSDBNSHGCVZBV-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928418 845761746 /nfs/dbraw/zinc/76/17/46/845761746.db2.gz VFSDBNSHGCVZBV-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928418 845761753 /nfs/dbraw/zinc/76/17/53/845761753.db2.gz VFSDBNSHGCVZBV-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101344 845789641 /nfs/dbraw/zinc/78/96/41/845789641.db2.gz LLCMVQQGZRBSMC-FZKCQIBNSA-N 2 2 350.507 0.822 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101344 845789643 /nfs/dbraw/zinc/78/96/43/845789643.db2.gz LLCMVQQGZRBSMC-FZKCQIBNSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101344 845789645 /nfs/dbraw/zinc/78/96/45/845789645.db2.gz LLCMVQQGZRBSMC-FZKCQIBNSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101344 845789648 /nfs/dbraw/zinc/78/96/48/845789648.db2.gz LLCMVQQGZRBSMC-FZKCQIBNSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101901 845789993 /nfs/dbraw/zinc/78/99/93/845789993.db2.gz KCUGEPYLQOLCMK-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101901 845789997 /nfs/dbraw/zinc/78/99/97/845789997.db2.gz KCUGEPYLQOLCMK-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101901 845790001 /nfs/dbraw/zinc/79/00/01/845790001.db2.gz KCUGEPYLQOLCMK-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101901 845790006 /nfs/dbraw/zinc/79/00/06/845790006.db2.gz KCUGEPYLQOLCMK-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101647 845790644 /nfs/dbraw/zinc/79/06/44/845790644.db2.gz XZXWJBGKRRIFAY-FZKCQIBNSA-N 2 2 369.531 0.484 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101647 845790651 /nfs/dbraw/zinc/79/06/51/845790651.db2.gz XZXWJBGKRRIFAY-FZKCQIBNSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101647 845790660 /nfs/dbraw/zinc/79/06/60/845790660.db2.gz XZXWJBGKRRIFAY-FZKCQIBNSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101647 845790665 /nfs/dbraw/zinc/79/06/65/845790665.db2.gz XZXWJBGKRRIFAY-FZKCQIBNSA-N 2 2 369.531 0.484 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110104245 845791316 /nfs/dbraw/zinc/79/13/16/845791316.db2.gz MFQYMHLYACRZRX-OJLVUWQFSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110104245 845791324 /nfs/dbraw/zinc/79/13/24/845791324.db2.gz MFQYMHLYACRZRX-OJLVUWQFSA-N 2 2 368.503 0.594 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161952 845809405 /nfs/dbraw/zinc/80/94/05/845809405.db2.gz ZSRKDIKBOPEGJD-CVYDXHPNSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161952 845809408 /nfs/dbraw/zinc/80/94/08/845809408.db2.gz ZSRKDIKBOPEGJD-CVYDXHPNSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110159687 845809469 /nfs/dbraw/zinc/80/94/69/845809469.db2.gz UEVWFYPWRMAIAV-WCVJEAGWSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110159687 845809473 /nfs/dbraw/zinc/80/94/73/845809473.db2.gz UEVWFYPWRMAIAV-WCVJEAGWSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110159687 845809475 /nfs/dbraw/zinc/80/94/75/845809475.db2.gz UEVWFYPWRMAIAV-WCVJEAGWSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110159687 845809477 /nfs/dbraw/zinc/80/94/77/845809477.db2.gz UEVWFYPWRMAIAV-WCVJEAGWSA-N 2 2 357.520 0.483 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001110845818 845980309 /nfs/dbraw/zinc/98/03/09/845980309.db2.gz ZCQHXUGGSBPTIC-OAGGEKHMSA-N 2 2 350.463 0.737 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001110845818 845980314 /nfs/dbraw/zinc/98/03/14/845980314.db2.gz ZCQHXUGGSBPTIC-OAGGEKHMSA-N 2 2 350.463 0.737 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001111169134 846053196 /nfs/dbraw/zinc/05/31/96/846053196.db2.gz DECGWNMQIAHASM-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001111169134 846053203 /nfs/dbraw/zinc/05/32/03/846053203.db2.gz DECGWNMQIAHASM-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111169123 846053484 /nfs/dbraw/zinc/05/34/84/846053484.db2.gz CSKGAWMHHIMOMP-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111169123 846053489 /nfs/dbraw/zinc/05/34/89/846053489.db2.gz CSKGAWMHHIMOMP-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229073 846064441 /nfs/dbraw/zinc/06/44/41/846064441.db2.gz VFSDBNSHGCVZBV-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229073 846064447 /nfs/dbraw/zinc/06/44/47/846064447.db2.gz VFSDBNSHGCVZBV-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111229073 846064449 /nfs/dbraw/zinc/06/44/49/846064449.db2.gz VFSDBNSHGCVZBV-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229073 846064454 /nfs/dbraw/zinc/06/44/54/846064454.db2.gz VFSDBNSHGCVZBV-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001111229803 846064943 /nfs/dbraw/zinc/06/49/43/846064943.db2.gz AVNRCZFTCIOKCA-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001111229803 846064950 /nfs/dbraw/zinc/06/49/50/846064950.db2.gz AVNRCZFTCIOKCA-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001111229803 846064958 /nfs/dbraw/zinc/06/49/58/846064958.db2.gz AVNRCZFTCIOKCA-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001111229803 846064962 /nfs/dbraw/zinc/06/49/62/846064962.db2.gz AVNRCZFTCIOKCA-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001111307791 846082136 /nfs/dbraw/zinc/08/21/36/846082136.db2.gz XQRTVYVPEZCBIF-OAGGEKHMSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001111307791 846082140 /nfs/dbraw/zinc/08/21/40/846082140.db2.gz XQRTVYVPEZCBIF-OAGGEKHMSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)CC ZINC001111307791 846082146 /nfs/dbraw/zinc/08/21/46/846082146.db2.gz XQRTVYVPEZCBIF-OAGGEKHMSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)CC ZINC001111307791 846082153 /nfs/dbraw/zinc/08/21/53/846082153.db2.gz XQRTVYVPEZCBIF-OAGGEKHMSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001111308928 846083010 /nfs/dbraw/zinc/08/30/10/846083010.db2.gz DPMUWBKOMCBUDY-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001111308928 846083032 /nfs/dbraw/zinc/08/30/32/846083032.db2.gz DPMUWBKOMCBUDY-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001111308928 846083039 /nfs/dbraw/zinc/08/30/39/846083039.db2.gz DPMUWBKOMCBUDY-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001111308928 846083042 /nfs/dbraw/zinc/08/30/42/846083042.db2.gz DPMUWBKOMCBUDY-ZACQAIPSSA-N 2 2 371.547 0.875 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406828 846098264 /nfs/dbraw/zinc/09/82/64/846098264.db2.gz BRNVJEBRPXROFM-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406828 846098267 /nfs/dbraw/zinc/09/82/67/846098267.db2.gz BRNVJEBRPXROFM-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111406828 846098269 /nfs/dbraw/zinc/09/82/69/846098269.db2.gz BRNVJEBRPXROFM-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111406828 846098273 /nfs/dbraw/zinc/09/82/73/846098273.db2.gz BRNVJEBRPXROFM-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407878 846099516 /nfs/dbraw/zinc/09/95/16/846099516.db2.gz XZXWJBGKRRIFAY-JJXSEGSLSA-N 2 2 369.531 0.484 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407878 846099522 /nfs/dbraw/zinc/09/95/22/846099522.db2.gz XZXWJBGKRRIFAY-JJXSEGSLSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407878 846099531 /nfs/dbraw/zinc/09/95/31/846099531.db2.gz XZXWJBGKRRIFAY-JJXSEGSLSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407878 846099541 /nfs/dbraw/zinc/09/95/41/846099541.db2.gz XZXWJBGKRRIFAY-JJXSEGSLSA-N 2 2 369.531 0.484 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111467445 846117739 /nfs/dbraw/zinc/11/77/39/846117739.db2.gz JDSHPSKBIUYOCV-CBZIJGRNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111467445 846117746 /nfs/dbraw/zinc/11/77/46/846117746.db2.gz JDSHPSKBIUYOCV-CBZIJGRNSA-N 2 2 350.507 0.917 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467885 846119718 /nfs/dbraw/zinc/11/97/18/846119718.db2.gz ZSRKDIKBOPEGJD-XLMAVXFVSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467885 846119724 /nfs/dbraw/zinc/11/97/24/846119724.db2.gz ZSRKDIKBOPEGJD-XLMAVXFVSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658730 846167513 /nfs/dbraw/zinc/16/75/13/846167513.db2.gz NGHIJTBUTFBRKC-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658730 846167520 /nfs/dbraw/zinc/16/75/20/846167520.db2.gz NGHIJTBUTFBRKC-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658730 846167529 /nfs/dbraw/zinc/16/75/29/846167529.db2.gz NGHIJTBUTFBRKC-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658730 846167530 /nfs/dbraw/zinc/16/75/30/846167530.db2.gz NGHIJTBUTFBRKC-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658980 846169145 /nfs/dbraw/zinc/16/91/45/846169145.db2.gz XKJFIIGAMCSWOS-BXWFABGCSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658980 846169149 /nfs/dbraw/zinc/16/91/49/846169149.db2.gz XKJFIIGAMCSWOS-BXWFABGCSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658980 846169157 /nfs/dbraw/zinc/16/91/57/846169157.db2.gz XKJFIIGAMCSWOS-BXWFABGCSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658980 846169164 /nfs/dbraw/zinc/16/91/64/846169164.db2.gz XKJFIIGAMCSWOS-BXWFABGCSA-N 2 2 350.507 0.824 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111938288 846270027 /nfs/dbraw/zinc/27/00/27/846270027.db2.gz USKOXYDMFIXDOT-YOEHRIQHSA-N 2 2 351.451 0.427 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111938288 846270036 /nfs/dbraw/zinc/27/00/36/846270036.db2.gz USKOXYDMFIXDOT-YOEHRIQHSA-N 2 2 351.451 0.427 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938338 846270405 /nfs/dbraw/zinc/27/04/05/846270405.db2.gz WXDLDKNDMNYABA-YJBOKZPZSA-N 2 2 350.463 0.596 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938338 846270412 /nfs/dbraw/zinc/27/04/12/846270412.db2.gz WXDLDKNDMNYABA-YJBOKZPZSA-N 2 2 350.463 0.596 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112160212 846427097 /nfs/dbraw/zinc/42/70/97/846427097.db2.gz YEHWLJWQYSGGAK-GHMZBOCLSA-N 2 2 351.398 0.969 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112181911 846442195 /nfs/dbraw/zinc/44/21/95/846442195.db2.gz DLRHWCBWUVJYGB-CHWSQXEVSA-N 2 2 362.400 0.636 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386596 846500204 /nfs/dbraw/zinc/50/02/04/846500204.db2.gz BNVZCWYDKXCSPV-LESCRADOSA-N 2 2 350.463 0.568 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386596 846500215 /nfs/dbraw/zinc/50/02/15/846500215.db2.gz BNVZCWYDKXCSPV-LESCRADOSA-N 2 2 350.463 0.568 20 0 FCADLP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551602 846521545 /nfs/dbraw/zinc/52/15/45/846521545.db2.gz IBFSMSGTZARIFP-YJBOKZPZSA-N 2 2 350.463 0.834 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112570394 846526131 /nfs/dbraw/zinc/52/61/31/846526131.db2.gz UWSYMFDUSJJQCS-YJBOKZPZSA-N 2 2 350.463 0.488 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118236287 847338383 /nfs/dbraw/zinc/33/83/83/847338383.db2.gz YBFCJFZDTCRGKI-BPUTZDHNSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118236287 847338394 /nfs/dbraw/zinc/33/83/94/847338394.db2.gz YBFCJFZDTCRGKI-BPUTZDHNSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001119345640 847816938 /nfs/dbraw/zinc/81/69/38/847816938.db2.gz YORACZWWAAJRRX-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001119345640 847816945 /nfs/dbraw/zinc/81/69/45/847816945.db2.gz YORACZWWAAJRRX-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001119362233 847822824 /nfs/dbraw/zinc/82/28/24/847822824.db2.gz JJMXJJMGVJAQNF-CYBMUJFWSA-N 2 2 365.503 0.365 20 0 FCADLP CCOC(=O)c1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC001119946828 848042544 /nfs/dbraw/zinc/04/25/44/848042544.db2.gz HZNGAACRQVOUES-LBPRGKRZSA-N 2 2 354.476 0.997 20 0 FCADLP CCOC(=O)c1ncc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC001119946828 848042548 /nfs/dbraw/zinc/04/25/48/848042548.db2.gz HZNGAACRQVOUES-LBPRGKRZSA-N 2 2 354.476 0.997 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[NH+]2CCC(CO)CC2)C[C@@H](C)O1 ZINC001120592102 848250092 /nfs/dbraw/zinc/25/00/92/848250092.db2.gz BNPACBFJBBWLMS-NUJGCVRESA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](NC(=O)NCCCCCN1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC001120596708 848250964 /nfs/dbraw/zinc/25/09/64/848250964.db2.gz JCRLRFBXNQRLLQ-SJORKVTESA-N 2 2 355.527 0.470 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC001120613146 848254285 /nfs/dbraw/zinc/25/42/85/848254285.db2.gz ZRLZSGXSQXAXFI-INIZCTEOSA-N 2 2 353.507 0.840 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001121928846 848419686 /nfs/dbraw/zinc/41/96/86/848419686.db2.gz VDIZOGBVCMBAJG-QGZVFWFLSA-N 3 2 354.539 0.739 20 0 FCADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001122834594 848544255 /nfs/dbraw/zinc/54/42/55/848544255.db2.gz BPKTUIOEKMXYEW-VCTAVGKDSA-N 2 2 351.451 0.010 20 0 FCADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001122834594 848544257 /nfs/dbraw/zinc/54/42/57/848544257.db2.gz BPKTUIOEKMXYEW-VCTAVGKDSA-N 2 2 351.451 0.010 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123793542 848637576 /nfs/dbraw/zinc/63/75/76/848637576.db2.gz CMKJOEYRJKVYIC-ULQDDVLXSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123793542 848637579 /nfs/dbraw/zinc/63/75/79/848637579.db2.gz CMKJOEYRJKVYIC-ULQDDVLXSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H]1CN(C)CC[NH+]1C ZINC001123794851 848639543 /nfs/dbraw/zinc/63/95/43/848639543.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CN(C)CC[NH+]1C ZINC001123794851 848639545 /nfs/dbraw/zinc/63/95/45/848639545.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123794851 848639547 /nfs/dbraw/zinc/63/95/47/848639547.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001123794851 848639550 /nfs/dbraw/zinc/63/95/50/848639550.db2.gz OBZPZIOPLIPFPL-RYQLBKOJSA-N 2 2 351.539 0.994 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129337459 848832607 /nfs/dbraw/zinc/83/26/07/848832607.db2.gz IWZQSNCZCCPKAS-OLZOCXBDSA-N 2 2 362.400 0.914 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129337459 848832615 /nfs/dbraw/zinc/83/26/15/848832615.db2.gz IWZQSNCZCCPKAS-OLZOCXBDSA-N 2 2 362.400 0.914 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433524 848844037 /nfs/dbraw/zinc/84/40/37/848844037.db2.gz DRBKQGSKRKBNHS-CVEARBPZSA-N 2 2 350.467 0.140 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433524 848844042 /nfs/dbraw/zinc/84/40/42/848844042.db2.gz DRBKQGSKRKBNHS-CVEARBPZSA-N 2 2 350.467 0.140 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130816407 849048731 /nfs/dbraw/zinc/04/87/31/849048731.db2.gz VPAIDHGWZZFQAF-UONOGXRCSA-N 2 2 352.483 0.981 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130816407 849048734 /nfs/dbraw/zinc/04/87/34/849048734.db2.gz VPAIDHGWZZFQAF-UONOGXRCSA-N 2 2 352.483 0.981 20 0 FCADLP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131573469 849125885 /nfs/dbraw/zinc/12/58/85/849125885.db2.gz ZKQBUDRJUOHBAE-AEFFLSMTSA-N 2 2 350.463 0.974 20 0 FCADLP Cc1ncoc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613502 849130972 /nfs/dbraw/zinc/13/09/72/849130972.db2.gz CUENHUQAUMJKOZ-CABCVRRESA-N 2 2 352.435 0.069 20 0 FCADLP CCOC(=O)c1c(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cnn1C ZINC001136910280 849247837 /nfs/dbraw/zinc/24/78/37/849247837.db2.gz WEHBRBUTDAHXAX-UHFFFAOYSA-N 2 2 351.451 0.193 20 0 FCADLP CCOC(=O)c1c(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cnn1C ZINC001136910280 849247847 /nfs/dbraw/zinc/24/78/47/849247847.db2.gz WEHBRBUTDAHXAX-UHFFFAOYSA-N 2 2 351.451 0.193 20 0 FCADLP C[N@H+](C1CN(Cc2cnc(N3CC[NH+](C)CC3)s2)C1)[C@H]1CCOC1 ZINC001139323583 849336134 /nfs/dbraw/zinc/33/61/34/849336134.db2.gz NKWKPTOGCKEPNS-AWEZNQCLSA-N 2 2 351.520 0.800 20 0 FCADLP C[N@@H+](C1CN(Cc2cnc(N3CC[NH+](C)CC3)s2)C1)[C@H]1CCOC1 ZINC001139323583 849336142 /nfs/dbraw/zinc/33/61/42/849336142.db2.gz NKWKPTOGCKEPNS-AWEZNQCLSA-N 2 2 351.520 0.800 20 0 FCADLP CN(CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)C(N)=[NH2+] ZINC001144143627 849510541 /nfs/dbraw/zinc/51/05/41/849510541.db2.gz UXFHELDKKCYZNQ-ZDUSSCGKSA-N 2 2 368.279 0.965 20 0 FCADLP CN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)C(N)=[NH2+] ZINC001144143627 849510544 /nfs/dbraw/zinc/51/05/44/849510544.db2.gz UXFHELDKKCYZNQ-ZDUSSCGKSA-N 2 2 368.279 0.965 20 0 FCADLP CCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735028 862050379 /nfs/dbraw/zinc/05/03/79/862050379.db2.gz OHWYNKDHQPNXJP-WMZOPIPTSA-N 2 2 350.463 0.775 20 0 FCADLP CCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735028 862050389 /nfs/dbraw/zinc/05/03/89/862050389.db2.gz OHWYNKDHQPNXJP-WMZOPIPTSA-N 2 2 350.463 0.775 20 0 FCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)CC1 ZINC001157451580 849974242 /nfs/dbraw/zinc/97/42/42/849974242.db2.gz YUYLMPHDENQJAW-OAHLLOKOSA-N 2 2 350.488 0.137 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157927619 850004843 /nfs/dbraw/zinc/00/48/43/850004843.db2.gz YKZHKSQDMQZARO-GMXVVIOVSA-N 2 2 352.332 0.544 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158267681 850032051 /nfs/dbraw/zinc/03/20/51/850032051.db2.gz IZINGVVPTZAWNK-CYBMUJFWSA-N 2 2 353.492 0.334 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158267681 850032059 /nfs/dbraw/zinc/03/20/59/850032059.db2.gz IZINGVVPTZAWNK-CYBMUJFWSA-N 2 2 353.492 0.334 20 0 FCADLP O=C([C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158900223 850083513 /nfs/dbraw/zinc/08/35/13/850083513.db2.gz BJGOQJVRQXCIKM-RVSPLBMKSA-N 2 2 350.394 0.063 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159833994 850139588 /nfs/dbraw/zinc/13/95/88/850139588.db2.gz SZEVQHDURROHFA-NOCILHIHSA-N 2 2 370.544 0.662 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833994 850139595 /nfs/dbraw/zinc/13/95/95/850139595.db2.gz SZEVQHDURROHFA-NOCILHIHSA-N 2 2 370.544 0.662 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834656 850139826 /nfs/dbraw/zinc/13/98/26/850139826.db2.gz WFYDWUSVLOLVDT-CWVYHPPDSA-N 3 2 361.515 0.516 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834656 850139833 /nfs/dbraw/zinc/13/98/33/850139833.db2.gz WFYDWUSVLOLVDT-CWVYHPPDSA-N 3 2 361.515 0.516 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159910806 850145050 /nfs/dbraw/zinc/14/50/50/850145050.db2.gz QEUSKJZPCOJYIR-GRYWWWGRSA-N 2 2 366.487 0.212 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)C1 ZINC001159910129 850145113 /nfs/dbraw/zinc/14/51/13/850145113.db2.gz OCYXKIBXLISZSP-XYFZXANASA-N 2 2 366.487 0.355 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)C1 ZINC001159910100 850145189 /nfs/dbraw/zinc/14/51/89/850145189.db2.gz OCYXKIBXLISZSP-OJKRMQCYSA-N 2 2 366.487 0.355 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1CC[NH2+]C[C@H]1F)C2 ZINC001160381110 850168710 /nfs/dbraw/zinc/16/87/10/850168710.db2.gz QKMFXZCBKLPZOH-UONOGXRCSA-N 2 2 352.458 0.798 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1CC[NH2+]C[C@H]1F)C2 ZINC001160381110 850168721 /nfs/dbraw/zinc/16/87/21/850168721.db2.gz QKMFXZCBKLPZOH-UONOGXRCSA-N 2 2 352.458 0.798 20 0 FCADLP O=C(N1CCC(c2noc(C(F)(F)F)n2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160549481 850180743 /nfs/dbraw/zinc/18/07/43/850180743.db2.gz YVRNCZJKWHPBTR-HZMBPMFUSA-N 2 2 359.352 0.746 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc3c2COCC3)O1 ZINC001160851110 850205184 /nfs/dbraw/zinc/20/51/84/850205184.db2.gz ROGBVNVEVJULQV-MLGOLLRUSA-N 2 2 352.435 0.062 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc3c2COCC3)O1 ZINC001160851110 850205194 /nfs/dbraw/zinc/20/51/94/850205194.db2.gz ROGBVNVEVJULQV-MLGOLLRUSA-N 2 2 352.435 0.062 20 0 FCADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161030522 850224615 /nfs/dbraw/zinc/22/46/15/850224615.db2.gz AOEZUCPRAHYMBO-UHFFFAOYSA-N 2 2 365.459 0.051 20 0 FCADLP COC(=O)[C@@H]([NH3+])Cc1ccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)cc1 ZINC001161748498 850280586 /nfs/dbraw/zinc/28/05/86/850280586.db2.gz PQDFFLNIDMPGQL-INIZCTEOSA-N 2 2 363.439 0.989 20 0 FCADLP CCOCCN1C[C@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)OCC1=O ZINC001277835604 862123474 /nfs/dbraw/zinc/12/34/74/862123474.db2.gz LQTMUZHMYJUFRT-SJLPKXTDSA-N 2 2 357.495 0.029 20 0 FCADLP CCOCCN1C[C@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)OCC1=O ZINC001277835604 862123481 /nfs/dbraw/zinc/12/34/81/862123481.db2.gz LQTMUZHMYJUFRT-SJLPKXTDSA-N 2 2 357.495 0.029 20 0 FCADLP COC(=O)c1nc(Cl)c(F)c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164210440 850398033 /nfs/dbraw/zinc/39/80/33/850398033.db2.gz CQRVVRJRJOYJBG-UHFFFAOYSA-N 2 2 359.833 0.916 20 0 FCADLP CN(C1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1)S(C)(=O)=O ZINC001165114355 850424260 /nfs/dbraw/zinc/42/42/60/850424260.db2.gz GPYZDQIFVGDVFZ-UHFFFAOYSA-N 2 2 367.519 0.694 20 0 FCADLP CCOC(=O)c1cnc([S@](C)=O)nc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165355744 850437652 /nfs/dbraw/zinc/43/76/52/850437652.db2.gz WRHZOABKVYRQAY-VWLOTQADSA-N 2 2 363.443 0.573 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166961462 850514802 /nfs/dbraw/zinc/51/48/02/850514802.db2.gz PRZMNXVRSTUDBP-ZIAGYGMSSA-N 2 2 350.467 0.327 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001168736604 850592553 /nfs/dbraw/zinc/59/25/53/850592553.db2.gz JFIQAWJIJARITE-UHFFFAOYSA-N 2 2 367.475 0.302 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(Br)c2nsnc21 ZINC001169074329 850604593 /nfs/dbraw/zinc/60/45/93/850604593.db2.gz JXORLUUNQTXNNR-ZCFIWIBFSA-N 2 2 355.221 0.897 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001169254508 850610081 /nfs/dbraw/zinc/61/00/81/850610081.db2.gz ZJHXYAXYYQJIAI-SJLPKXTDSA-N 3 2 352.523 0.582 20 0 FCADLP CC[NH+]1CCC([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001169254508 850610085 /nfs/dbraw/zinc/61/00/85/850610085.db2.gz ZJHXYAXYYQJIAI-SJLPKXTDSA-N 3 2 352.523 0.582 20 0 FCADLP CC[NH+]1CCC([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001169254508 850610087 /nfs/dbraw/zinc/61/00/87/850610087.db2.gz ZJHXYAXYYQJIAI-SJLPKXTDSA-N 3 2 352.523 0.582 20 0 FCADLP CC[NH+]1CCC([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001169254508 850610090 /nfs/dbraw/zinc/61/00/90/850610090.db2.gz ZJHXYAXYYQJIAI-SJLPKXTDSA-N 3 2 352.523 0.582 20 0 FCADLP C[NH+]1CCN(C(=O)C2CC[NH+](C3CCC(S(C)(=O)=O)CC3)CC2)CC1 ZINC001169890068 850638443 /nfs/dbraw/zinc/63/84/43/850638443.db2.gz FRJUCRROMQOJNA-UHFFFAOYSA-N 2 2 371.547 0.828 20 0 FCADLP CCOCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172421838 850710177 /nfs/dbraw/zinc/71/01/77/850710177.db2.gz QBXUFSVRTVLARG-SNPRPXQTSA-N 2 2 351.451 0.217 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)[C@@H]([NH3+])C1 ZINC001173745519 850735306 /nfs/dbraw/zinc/73/53/06/850735306.db2.gz WIZOBAZXZJDFSD-RFQIPJPRSA-N 2 2 351.455 0.693 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)[C@@H]([NH3+])C1 ZINC001173745521 850735580 /nfs/dbraw/zinc/73/55/80/850735580.db2.gz WIZOBAZXZJDFSD-YIYPIFLZSA-N 2 2 351.455 0.693 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001180389425 851034235 /nfs/dbraw/zinc/03/42/35/851034235.db2.gz XGBAENZELZDCAZ-CRAIPNDOSA-N 2 2 355.479 0.583 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1csnn1 ZINC001181874712 851138628 /nfs/dbraw/zinc/13/86/28/851138628.db2.gz OFBDQOGQAAVKHR-GKLJAUDBSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1csnn1 ZINC001181874712 851138639 /nfs/dbraw/zinc/13/86/39/851138639.db2.gz OFBDQOGQAAVKHR-GKLJAUDBSA-N 2 2 367.519 0.831 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](O)C3)cc2F)CC1 ZINC001186046509 851408446 /nfs/dbraw/zinc/40/84/46/851408446.db2.gz FLUCAILWCPERRR-OAHLLOKOSA-N 2 2 350.438 0.973 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](O)C3)cc2F)CC1 ZINC001186046509 851408459 /nfs/dbraw/zinc/40/84/59/851408459.db2.gz FLUCAILWCPERRR-OAHLLOKOSA-N 2 2 350.438 0.973 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21)[NH+](C)C ZINC001188314916 851668859 /nfs/dbraw/zinc/66/88/59/851668859.db2.gz QCQILXHKEZOMHA-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21)[NH+](C)C ZINC001188314916 851668864 /nfs/dbraw/zinc/66/88/64/851668864.db2.gz QCQILXHKEZOMHA-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025650 851744310 /nfs/dbraw/zinc/74/43/10/851744310.db2.gz CWQSFTCGMHAFJP-RWMBFGLXSA-N 2 2 364.412 0.538 20 0 FCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025650 851744319 /nfs/dbraw/zinc/74/43/19/851744319.db2.gz CWQSFTCGMHAFJP-RWMBFGLXSA-N 2 2 364.412 0.538 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118156 851753618 /nfs/dbraw/zinc/75/36/18/851753618.db2.gz RDVBIMDQPDRVHR-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118156 851753623 /nfs/dbraw/zinc/75/36/23/851753623.db2.gz RDVBIMDQPDRVHR-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118156 851753629 /nfs/dbraw/zinc/75/36/29/851753629.db2.gz RDVBIMDQPDRVHR-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189118156 851753633 /nfs/dbraw/zinc/75/36/33/851753633.db2.gz RDVBIMDQPDRVHR-YESZJQIVSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c(C)o1 ZINC001189810634 851827055 /nfs/dbraw/zinc/82/70/55/851827055.db2.gz DBWMXDYOCUECJV-DOTOQJQBSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c(C)o1 ZINC001189810634 851827058 /nfs/dbraw/zinc/82/70/58/851827058.db2.gz DBWMXDYOCUECJV-DOTOQJQBSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@H]2O)c[nH+]1 ZINC001194033165 852527972 /nfs/dbraw/zinc/52/79/72/852527972.db2.gz YBAFNGNVTMYFRS-HZPDHXFCSA-N 2 2 352.479 0.761 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@H]2O)c[nH+]1 ZINC001194033165 852527980 /nfs/dbraw/zinc/52/79/80/852527980.db2.gz YBAFNGNVTMYFRS-HZPDHXFCSA-N 2 2 352.479 0.761 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192549 852555619 /nfs/dbraw/zinc/55/56/19/852555619.db2.gz XWAWVZYBABGCEV-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192549 852555621 /nfs/dbraw/zinc/55/56/21/852555621.db2.gz XWAWVZYBABGCEV-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746048 852643081 /nfs/dbraw/zinc/64/30/81/852643081.db2.gz ROAZKJFCEULQAJ-FRFSOERESA-N 2 2 350.463 0.084 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746048 852643088 /nfs/dbraw/zinc/64/30/88/852643088.db2.gz ROAZKJFCEULQAJ-FRFSOERESA-N 2 2 350.463 0.084 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894514 852844631 /nfs/dbraw/zinc/84/46/31/852844631.db2.gz ZKDUUMSERKOBED-ZMSDIMECSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894514 852844635 /nfs/dbraw/zinc/84/46/35/852844635.db2.gz ZKDUUMSERKOBED-ZMSDIMECSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894514 852844640 /nfs/dbraw/zinc/84/46/40/852844640.db2.gz ZKDUUMSERKOBED-ZMSDIMECSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C1CC1 ZINC001195894514 852844644 /nfs/dbraw/zinc/84/46/44/852844644.db2.gz ZKDUUMSERKOBED-ZMSDIMECSA-N 2 2 350.507 0.776 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980881 852859906 /nfs/dbraw/zinc/85/99/06/852859906.db2.gz JJZRDIYDFSWKHU-BFYDXBDKSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199268 852912550 /nfs/dbraw/zinc/91/25/50/852912550.db2.gz FWPKERKTGDSDGE-HZPDHXFCSA-N 2 2 352.479 0.876 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199268 852912554 /nfs/dbraw/zinc/91/25/54/852912554.db2.gz FWPKERKTGDSDGE-HZPDHXFCSA-N 2 2 352.479 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196199268 852912556 /nfs/dbraw/zinc/91/25/56/852912556.db2.gz FWPKERKTGDSDGE-HZPDHXFCSA-N 2 2 352.479 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196199268 852912560 /nfs/dbraw/zinc/91/25/60/852912560.db2.gz FWPKERKTGDSDGE-HZPDHXFCSA-N 2 2 352.479 0.876 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1O)[NH+](C)C ZINC001196251594 852925264 /nfs/dbraw/zinc/92/52/64/852925264.db2.gz LKVOFKVIGKKSNZ-OWCLPIDISA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1O)[NH+](C)C ZINC001196251594 852925274 /nfs/dbraw/zinc/92/52/74/852925274.db2.gz LKVOFKVIGKKSNZ-OWCLPIDISA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O)[NH+](C)C ZINC001196268623 852928510 /nfs/dbraw/zinc/92/85/10/852928510.db2.gz XRDIJPHPWJIJRZ-YYIAUSFCSA-N 2 2 369.893 0.875 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O)[NH+](C)C ZINC001196268623 852928518 /nfs/dbraw/zinc/92/85/18/852928518.db2.gz XRDIJPHPWJIJRZ-YYIAUSFCSA-N 2 2 369.893 0.875 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O)C(C)C ZINC001197026001 853050707 /nfs/dbraw/zinc/05/07/07/853050707.db2.gz WKOATTVNDDUPJJ-BRWVUGGUSA-N 2 2 351.495 0.448 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948998 853190135 /nfs/dbraw/zinc/19/01/35/853190135.db2.gz OZWHAQQAQOAFHY-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948998 853190138 /nfs/dbraw/zinc/19/01/38/853190138.db2.gz OZWHAQQAQOAFHY-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038064 853209162 /nfs/dbraw/zinc/20/91/62/853209162.db2.gz ISMORCKSNFYLNG-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038064 853209165 /nfs/dbraw/zinc/20/91/65/853209165.db2.gz ISMORCKSNFYLNG-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038064 853209169 /nfs/dbraw/zinc/20/91/69/853209169.db2.gz ISMORCKSNFYLNG-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001198038064 853209173 /nfs/dbraw/zinc/20/91/73/853209173.db2.gz ISMORCKSNFYLNG-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001199017170 853355490 /nfs/dbraw/zinc/35/54/90/853355490.db2.gz FJWVTQIVIOTQTA-HZPDHXFCSA-N 2 2 369.897 0.574 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001199017170 853355492 /nfs/dbraw/zinc/35/54/92/853355492.db2.gz FJWVTQIVIOTQTA-HZPDHXFCSA-N 2 2 369.897 0.574 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104361 853370689 /nfs/dbraw/zinc/37/06/89/853370689.db2.gz KXNGTDOUODKJAU-NUEKZKHPSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104361 853370701 /nfs/dbraw/zinc/37/07/01/853370701.db2.gz KXNGTDOUODKJAU-NUEKZKHPSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104361 853370710 /nfs/dbraw/zinc/37/07/10/853370710.db2.gz KXNGTDOUODKJAU-NUEKZKHPSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104361 853370718 /nfs/dbraw/zinc/37/07/18/853370718.db2.gz KXNGTDOUODKJAU-NUEKZKHPSA-N 2 2 356.511 0.181 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NC2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001199361808 853414067 /nfs/dbraw/zinc/41/40/67/853414067.db2.gz WZFUULVLJGHZRN-UHFFFAOYSA-N 2 2 364.471 0.140 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccncc3F)CC[C@@H]2C1 ZINC001206784953 853720910 /nfs/dbraw/zinc/72/09/10/853720910.db2.gz QVKYIQTWTYIQIU-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccncc3F)CC[C@@H]2C1 ZINC001206784953 853720914 /nfs/dbraw/zinc/72/09/14/853720914.db2.gz QVKYIQTWTYIQIU-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccncc3F)CC[C@@H]2C1 ZINC001206784953 853720919 /nfs/dbraw/zinc/72/09/19/853720919.db2.gz QVKYIQTWTYIQIU-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccncc3F)CC[C@@H]2C1 ZINC001206784953 853720922 /nfs/dbraw/zinc/72/09/22/853720922.db2.gz QVKYIQTWTYIQIU-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207232516 853793316 /nfs/dbraw/zinc/79/33/16/853793316.db2.gz VWYFYWRGSCCZAH-QLFBSQMISA-N 2 2 365.515 0.538 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207232516 853793321 /nfs/dbraw/zinc/79/33/21/853793321.db2.gz VWYFYWRGSCCZAH-QLFBSQMISA-N 2 2 365.515 0.538 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437473 853812697 /nfs/dbraw/zinc/81/26/97/853812697.db2.gz APCTWLDBBFYLGS-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437473 853812700 /nfs/dbraw/zinc/81/27/00/853812700.db2.gz APCTWLDBBFYLGS-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207437473 853812705 /nfs/dbraw/zinc/81/27/05/853812705.db2.gz APCTWLDBBFYLGS-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207437473 853812709 /nfs/dbraw/zinc/81/27/09/853812709.db2.gz APCTWLDBBFYLGS-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252022 853907600 /nfs/dbraw/zinc/90/76/00/853907600.db2.gz AVIUMSCXTXRXBH-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252022 853907602 /nfs/dbraw/zinc/90/76/02/853907602.db2.gz AVIUMSCXTXRXBH-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495947 853943014 /nfs/dbraw/zinc/94/30/14/853943014.db2.gz DVQWJLVIBUFOKP-IJLUTSLNSA-N 2 2 352.401 0.442 20 0 FCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495947 853943019 /nfs/dbraw/zinc/94/30/19/853943019.db2.gz DVQWJLVIBUFOKP-IJLUTSLNSA-N 2 2 352.401 0.442 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208590092 853957066 /nfs/dbraw/zinc/95/70/66/853957066.db2.gz BGSTWAMJHRSXJN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208590092 853957069 /nfs/dbraw/zinc/95/70/69/853957069.db2.gz BGSTWAMJHRSXJN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001208590092 853957071 /nfs/dbraw/zinc/95/70/71/853957071.db2.gz BGSTWAMJHRSXJN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001208590092 853957076 /nfs/dbraw/zinc/95/70/76/853957076.db2.gz BGSTWAMJHRSXJN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001208590525 853957153 /nfs/dbraw/zinc/95/71/53/853957153.db2.gz HHTZOODKQILEJF-BFYDXBDKSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001208590525 853957155 /nfs/dbraw/zinc/95/71/55/853957155.db2.gz HHTZOODKQILEJF-BFYDXBDKSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001208590525 853957160 /nfs/dbraw/zinc/95/71/60/853957160.db2.gz HHTZOODKQILEJF-BFYDXBDKSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]2C)C1 ZINC001208590525 853957161 /nfs/dbraw/zinc/95/71/61/853957161.db2.gz HHTZOODKQILEJF-BFYDXBDKSA-N 2 2 350.507 0.681 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001209643463 854043406 /nfs/dbraw/zinc/04/34/06/854043406.db2.gz YSKLKHRCTZACJF-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001209643463 854043410 /nfs/dbraw/zinc/04/34/10/854043410.db2.gz YSKLKHRCTZACJF-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001209699019 854047339 /nfs/dbraw/zinc/04/73/39/854047339.db2.gz GPIRIUPKNQYNAS-RRFJBIMHSA-N 2 2 368.503 0.539 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210040224 854073042 /nfs/dbraw/zinc/07/30/42/854073042.db2.gz CVLCJQDIJLWCEX-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210040224 854073048 /nfs/dbraw/zinc/07/30/48/854073048.db2.gz CVLCJQDIJLWCEX-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210040224 854073053 /nfs/dbraw/zinc/07/30/53/854073053.db2.gz CVLCJQDIJLWCEX-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210040224 854073059 /nfs/dbraw/zinc/07/30/59/854073059.db2.gz CVLCJQDIJLWCEX-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046940 854149877 /nfs/dbraw/zinc/14/98/77/854149877.db2.gz XFJCBIMMCJVORG-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046940 854149881 /nfs/dbraw/zinc/14/98/81/854149881.db2.gz XFJCBIMMCJVORG-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184112 854167045 /nfs/dbraw/zinc/16/70/45/854167045.db2.gz NVCMMDFAFMZSLI-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184112 854167049 /nfs/dbraw/zinc/16/70/49/854167049.db2.gz NVCMMDFAFMZSLI-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184112 854167052 /nfs/dbraw/zinc/16/70/52/854167052.db2.gz NVCMMDFAFMZSLI-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184112 854167055 /nfs/dbraw/zinc/16/70/55/854167055.db2.gz NVCMMDFAFMZSLI-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001211367537 854181711 /nfs/dbraw/zinc/18/17/11/854181711.db2.gz UWSBQWXKKJIJOQ-HZPDHXFCSA-N 2 2 361.552 0.976 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001211367537 854181715 /nfs/dbraw/zinc/18/17/15/854181715.db2.gz UWSBQWXKKJIJOQ-HZPDHXFCSA-N 2 2 361.552 0.976 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001211367537 854181718 /nfs/dbraw/zinc/18/17/18/854181718.db2.gz UWSBQWXKKJIJOQ-HZPDHXFCSA-N 2 2 361.552 0.976 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001211367537 854181723 /nfs/dbraw/zinc/18/17/23/854181723.db2.gz UWSBQWXKKJIJOQ-HZPDHXFCSA-N 2 2 361.552 0.976 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201092 854402769 /nfs/dbraw/zinc/40/27/69/854402769.db2.gz PCLOIHBTPGOJAX-ARFHVFGLSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201092 854402773 /nfs/dbraw/zinc/40/27/73/854402773.db2.gz PCLOIHBTPGOJAX-ARFHVFGLSA-N 2 2 350.463 0.974 20 0 FCADLP CS(=O)(=O)c1ccc(-c2noc([C@@H](N)C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC001212312061 854436367 /nfs/dbraw/zinc/43/63/67/854436367.db2.gz IEWUMTKMKXPSNA-AWEZNQCLSA-N 2 2 365.459 0.563 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001212450931 854483757 /nfs/dbraw/zinc/48/37/57/854483757.db2.gz GAHSQHMPADRRKF-BZUAXINKSA-N 2 2 352.479 0.903 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001212450931 854483761 /nfs/dbraw/zinc/48/37/61/854483761.db2.gz GAHSQHMPADRRKF-BZUAXINKSA-N 2 2 352.479 0.903 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212459121 854487196 /nfs/dbraw/zinc/48/71/96/854487196.db2.gz XQAXUWJVFVRJJD-ARFHVFGLSA-N 2 2 359.486 0.908 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212459121 854487205 /nfs/dbraw/zinc/48/72/05/854487205.db2.gz XQAXUWJVFVRJJD-ARFHVFGLSA-N 2 2 359.486 0.908 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483123 854496807 /nfs/dbraw/zinc/49/68/07/854496807.db2.gz CBXFCADVRZGDEH-QLFBSQMISA-N 2 2 356.511 0.576 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483123 854496816 /nfs/dbraw/zinc/49/68/16/854496816.db2.gz CBXFCADVRZGDEH-QLFBSQMISA-N 2 2 356.511 0.576 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483123 854496823 /nfs/dbraw/zinc/49/68/23/854496823.db2.gz CBXFCADVRZGDEH-QLFBSQMISA-N 2 2 356.511 0.576 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483123 854496831 /nfs/dbraw/zinc/49/68/31/854496831.db2.gz CBXFCADVRZGDEH-QLFBSQMISA-N 2 2 356.511 0.576 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486776 854498863 /nfs/dbraw/zinc/49/88/63/854498863.db2.gz CRNBHFRRNATGSD-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486776 854498864 /nfs/dbraw/zinc/49/88/64/854498864.db2.gz CRNBHFRRNATGSD-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](OC)C1 ZINC001212485084 854498927 /nfs/dbraw/zinc/49/89/27/854498927.db2.gz REHFZJDPSTYPAZ-IAOVAPTHSA-N 2 2 350.463 0.675 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](OC)C1 ZINC001212485084 854498928 /nfs/dbraw/zinc/49/89/28/854498928.db2.gz REHFZJDPSTYPAZ-IAOVAPTHSA-N 2 2 350.463 0.675 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](OC)C1 ZINC001212485084 854498929 /nfs/dbraw/zinc/49/89/29/854498929.db2.gz REHFZJDPSTYPAZ-IAOVAPTHSA-N 2 2 350.463 0.675 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](OC)C1 ZINC001212485084 854498930 /nfs/dbraw/zinc/49/89/30/854498930.db2.gz REHFZJDPSTYPAZ-IAOVAPTHSA-N 2 2 350.463 0.675 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342376 854582303 /nfs/dbraw/zinc/58/23/03/854582303.db2.gz UKOJKQQIAYTHCN-HUUCEWRRSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342376 854582316 /nfs/dbraw/zinc/58/23/16/854582316.db2.gz UKOJKQQIAYTHCN-HUUCEWRRSA-N 2 2 369.897 0.694 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)n1 ZINC001213346606 854583335 /nfs/dbraw/zinc/58/33/35/854583335.db2.gz VFIZUZNEAZJBPY-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)n1 ZINC001213346606 854583341 /nfs/dbraw/zinc/58/33/41/854583341.db2.gz VFIZUZNEAZJBPY-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399768 854601344 /nfs/dbraw/zinc/60/13/44/854601344.db2.gz JTKZULOPNVCFBU-BFYDXBDKSA-N 2 2 356.511 0.255 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399768 854601348 /nfs/dbraw/zinc/60/13/48/854601348.db2.gz JTKZULOPNVCFBU-BFYDXBDKSA-N 2 2 356.511 0.255 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446718 854620900 /nfs/dbraw/zinc/62/09/00/854620900.db2.gz UIJMCXKQSPKLEF-RBSFLKMASA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446718 854620901 /nfs/dbraw/zinc/62/09/01/854620901.db2.gz UIJMCXKQSPKLEF-RBSFLKMASA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446718 854620903 /nfs/dbraw/zinc/62/09/03/854620903.db2.gz UIJMCXKQSPKLEF-RBSFLKMASA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446718 854620905 /nfs/dbraw/zinc/62/09/05/854620905.db2.gz UIJMCXKQSPKLEF-RBSFLKMASA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001213555555 854662863 /nfs/dbraw/zinc/66/28/63/854662863.db2.gz SOISFHMKMMDEHF-KBRIMQKVSA-N 2 2 350.463 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001213555555 854662877 /nfs/dbraw/zinc/66/28/77/854662877.db2.gz SOISFHMKMMDEHF-KBRIMQKVSA-N 2 2 350.463 0.830 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001213555555 854662891 /nfs/dbraw/zinc/66/28/91/854662891.db2.gz SOISFHMKMMDEHF-KBRIMQKVSA-N 2 2 350.463 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001213555555 854662899 /nfs/dbraw/zinc/66/28/99/854662899.db2.gz SOISFHMKMMDEHF-KBRIMQKVSA-N 2 2 350.463 0.830 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213614499 854687029 /nfs/dbraw/zinc/68/70/29/854687029.db2.gz YRFIEOOCBVUUPF-IAGOWNOFSA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213614499 854687031 /nfs/dbraw/zinc/68/70/31/854687031.db2.gz YRFIEOOCBVUUPF-IAGOWNOFSA-N 2 2 357.495 0.197 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671814 854708052 /nfs/dbraw/zinc/70/80/52/854708052.db2.gz SECMDNJZQFPRLR-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671814 854708055 /nfs/dbraw/zinc/70/80/55/854708055.db2.gz SECMDNJZQFPRLR-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671814 854708058 /nfs/dbraw/zinc/70/80/58/854708058.db2.gz SECMDNJZQFPRLR-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671814 854708061 /nfs/dbraw/zinc/70/80/61/854708061.db2.gz SECMDNJZQFPRLR-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730845 854740449 /nfs/dbraw/zinc/74/04/49/854740449.db2.gz ZKEILEDVVXOQPG-GDBMZVCRSA-N 2 2 354.451 0.185 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730845 854740454 /nfs/dbraw/zinc/74/04/54/854740454.db2.gz ZKEILEDVVXOQPG-GDBMZVCRSA-N 2 2 354.451 0.185 20 0 FCADLP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801915 854774288 /nfs/dbraw/zinc/77/42/88/854774288.db2.gz FRZTZGPOAUHHKO-IAGOWNOFSA-N 2 2 352.479 0.983 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801915 854774295 /nfs/dbraw/zinc/77/42/95/854774295.db2.gz FRZTZGPOAUHHKO-IAGOWNOFSA-N 2 2 352.479 0.983 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)n1 ZINC001213927658 854829377 /nfs/dbraw/zinc/82/93/77/854829377.db2.gz VPHKDBPXSSESRL-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)n1 ZINC001213927658 854829382 /nfs/dbraw/zinc/82/93/82/854829382.db2.gz VPHKDBPXSSESRL-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)n1 ZINC001213927658 854829384 /nfs/dbraw/zinc/82/93/84/854829384.db2.gz VPHKDBPXSSESRL-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)n1 ZINC001213927658 854829388 /nfs/dbraw/zinc/82/93/88/854829388.db2.gz VPHKDBPXSSESRL-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927495 854829424 /nfs/dbraw/zinc/82/94/24/854829424.db2.gz MPZPRDYIKCWHAM-GDBMZVCRSA-N 2 2 352.483 0.262 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927495 854829430 /nfs/dbraw/zinc/82/94/30/854829430.db2.gz MPZPRDYIKCWHAM-GDBMZVCRSA-N 2 2 352.483 0.262 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927495 854829435 /nfs/dbraw/zinc/82/94/35/854829435.db2.gz MPZPRDYIKCWHAM-GDBMZVCRSA-N 2 2 352.483 0.262 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927495 854829437 /nfs/dbraw/zinc/82/94/37/854829437.db2.gz MPZPRDYIKCWHAM-GDBMZVCRSA-N 2 2 352.483 0.262 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929872 854831596 /nfs/dbraw/zinc/83/15/96/854831596.db2.gz PGFVZCKAQXCXSB-ARFHVFGLSA-N 2 2 356.511 0.397 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929872 854831600 /nfs/dbraw/zinc/83/16/00/854831600.db2.gz PGFVZCKAQXCXSB-ARFHVFGLSA-N 2 2 356.511 0.397 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929872 854831602 /nfs/dbraw/zinc/83/16/02/854831602.db2.gz PGFVZCKAQXCXSB-ARFHVFGLSA-N 2 2 356.511 0.397 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929872 854831605 /nfs/dbraw/zinc/83/16/05/854831605.db2.gz PGFVZCKAQXCXSB-ARFHVFGLSA-N 2 2 356.511 0.397 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001214814515 855018166 /nfs/dbraw/zinc/01/81/66/855018166.db2.gz YJBGCWXOFANUHR-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001214814515 855018167 /nfs/dbraw/zinc/01/81/67/855018167.db2.gz YJBGCWXOFANUHR-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214967077 855041480 /nfs/dbraw/zinc/04/14/80/855041480.db2.gz NUDXJOPEIGWTID-IAQYHMDHSA-N 2 2 365.459 0.162 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005907 855050511 /nfs/dbraw/zinc/05/05/11/855050511.db2.gz KSNFLRVYACJLNH-OWCLPIDISA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006166 855050643 /nfs/dbraw/zinc/05/06/43/855050643.db2.gz UMDPJRHKGGCLAO-BZUAXINKSA-N 2 2 350.463 0.545 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215511656 855122830 /nfs/dbraw/zinc/12/28/30/855122830.db2.gz MRKAZNRMRJWZHU-VNHYZAJKSA-N 2 2 368.503 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001215681424 855135555 /nfs/dbraw/zinc/13/55/55/855135555.db2.gz YTRAKSWNIUWZLC-IUODEOHRSA-N 2 2 361.471 0.767 20 0 FCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC001216401556 855199582 /nfs/dbraw/zinc/19/95/82/855199582.db2.gz LUNNZNDXVNHZJQ-TZMCWYRMSA-N 2 2 351.451 0.462 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001216464632 855204943 /nfs/dbraw/zinc/20/49/43/855204943.db2.gz RUCLFXLRDXFWCV-ZIAGYGMSSA-N 2 2 352.483 0.804 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216566259 855212236 /nfs/dbraw/zinc/21/22/36/855212236.db2.gz WRKXBHUDZLCLRW-IUODEOHRSA-N 2 2 371.507 0.027 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803325 855247255 /nfs/dbraw/zinc/24/72/55/855247255.db2.gz VIHAQBFCHGZHBL-NXHRZFHOSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1nccs1 ZINC001217000269 855274296 /nfs/dbraw/zinc/27/42/96/855274296.db2.gz HRMDTAQCGYUUCP-JHJVBQTASA-N 2 2 362.459 0.803 20 0 FCADLP CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218546407 855437670 /nfs/dbraw/zinc/43/76/70/855437670.db2.gz CBAYQRGOLWVHEJ-UWVGGRQHSA-N 2 2 368.459 0.563 20 0 FCADLP O=C(Nc1n[nH]c2ncc(Br)cc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563365 855439225 /nfs/dbraw/zinc/43/92/25/855439225.db2.gz LJIDXPDKSIVGOF-VIFPVBQESA-N 2 2 351.208 0.468 20 0 FCADLP Nc1ncc(Br)nc1N(CC1CC1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218635984 855455309 /nfs/dbraw/zinc/45/53/09/855455309.db2.gz SCYMPUQBCJMIPZ-UHFFFAOYSA-N 2 2 369.267 0.645 20 0 FCADLP Nc1cnc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(I)c1 ZINC001218679991 855463624 /nfs/dbraw/zinc/46/36/24/855463624.db2.gz ROWBMLJFLFLKHX-UHFFFAOYSA-N 2 2 361.187 0.288 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218798763 855480548 /nfs/dbraw/zinc/48/05/48/855480548.db2.gz YWPQPJSBNXWICY-NSHDSACASA-N 3 2 364.475 0.796 20 0 FCADLP Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]([NH3+])CCC[NH3+])c2ccccn2)cc1 ZINC001218864891 855487657 /nfs/dbraw/zinc/48/76/57/855487657.db2.gz ZKBFCAHNEQXVME-AWEZNQCLSA-N 2 2 363.443 0.452 20 0 FCADLP CNS(=O)(=O)CCc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001218890958 855491960 /nfs/dbraw/zinc/49/19/60/855491960.db2.gz MBALXVKDNDERRB-UHFFFAOYSA-N 2 2 354.476 0.058 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092058 855544341 /nfs/dbraw/zinc/54/43/41/855544341.db2.gz ADQZQAJYQUVGHB-UHFFFAOYSA-N 2 2 355.460 0.123 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219552902 855710973 /nfs/dbraw/zinc/71/09/73/855710973.db2.gz NGTBKWJGTFGFQZ-OWCLPIDISA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219552902 855710974 /nfs/dbraw/zinc/71/09/74/855710974.db2.gz NGTBKWJGTFGFQZ-OWCLPIDISA-N 2 2 350.463 0.709 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001219564266 855716248 /nfs/dbraw/zinc/71/62/48/855716248.db2.gz VXEDAFSDBXMLPD-KBPBESRZSA-N 2 2 351.451 0.133 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1ccc(C(F)(F)F)nc1 ZINC001219691156 855773770 /nfs/dbraw/zinc/77/37/70/855773770.db2.gz LUBYYZXNLUCFMR-ZDUSSCGKSA-N 2 2 359.396 0.510 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219774623 855808668 /nfs/dbraw/zinc/80/86/68/855808668.db2.gz VTKGKYVWXSYRQG-IKGGRYGDSA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219774623 855808670 /nfs/dbraw/zinc/80/86/70/855808670.db2.gz VTKGKYVWXSYRQG-IKGGRYGDSA-N 2 2 350.463 0.445 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)C1CCCC1 ZINC001220105986 855963751 /nfs/dbraw/zinc/96/37/51/855963751.db2.gz VMMKKJCGDWUEGV-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)C1CCCC1 ZINC001220105986 855963754 /nfs/dbraw/zinc/96/37/54/855963754.db2.gz VMMKKJCGDWUEGV-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224243 856018865 /nfs/dbraw/zinc/01/88/65/856018865.db2.gz FSTOFDNXANQFCP-CVEARBPZSA-N 2 2 353.463 0.933 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224243 856018871 /nfs/dbraw/zinc/01/88/71/856018871.db2.gz FSTOFDNXANQFCP-CVEARBPZSA-N 2 2 353.463 0.933 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229142 856022611 /nfs/dbraw/zinc/02/26/11/856022611.db2.gz OZYNNGLTCGLBFP-CABCVRRESA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229142 856022618 /nfs/dbraw/zinc/02/26/18/856022618.db2.gz OZYNNGLTCGLBFP-CABCVRRESA-N 2 2 352.504 0.763 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234064 856024304 /nfs/dbraw/zinc/02/43/04/856024304.db2.gz SFJLPWIAHZBFIH-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234064 856024316 /nfs/dbraw/zinc/02/43/16/856024316.db2.gz SFJLPWIAHZBFIH-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220273438 856039691 /nfs/dbraw/zinc/03/96/91/856039691.db2.gz KZTGYXDMMKMLKK-OAGGEKHMSA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220273438 856039699 /nfs/dbraw/zinc/03/96/99/856039699.db2.gz KZTGYXDMMKMLKK-OAGGEKHMSA-N 2 2 357.401 0.111 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](CC)CC ZINC001220344551 856076491 /nfs/dbraw/zinc/07/64/91/856076491.db2.gz CECBMJXTYBUVOS-OAGGEKHMSA-N 2 2 371.913 0.818 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](CC)CC ZINC001220344551 856076498 /nfs/dbraw/zinc/07/64/98/856076498.db2.gz CECBMJXTYBUVOS-OAGGEKHMSA-N 2 2 371.913 0.818 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359300 856081541 /nfs/dbraw/zinc/08/15/41/856081541.db2.gz HYHCXNZMDCJQHB-XQQFMLRXSA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359300 856081545 /nfs/dbraw/zinc/08/15/45/856081545.db2.gz HYHCXNZMDCJQHB-XQQFMLRXSA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359300 856081551 /nfs/dbraw/zinc/08/15/51/856081551.db2.gz HYHCXNZMDCJQHB-XQQFMLRXSA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359300 856081560 /nfs/dbraw/zinc/08/15/60/856081560.db2.gz HYHCXNZMDCJQHB-XQQFMLRXSA-N 2 2 367.412 0.193 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001220553190 856181550 /nfs/dbraw/zinc/18/15/50/856181550.db2.gz BYXADRNWYPGUKB-SJORKVTESA-N 2 2 351.422 0.209 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001220553190 856181556 /nfs/dbraw/zinc/18/15/56/856181556.db2.gz BYXADRNWYPGUKB-SJORKVTESA-N 2 2 351.422 0.209 20 0 FCADLP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220800440 856306770 /nfs/dbraw/zinc/30/67/70/856306770.db2.gz QVHOJPQLOZIWID-QCEMKRCNSA-N 2 2 365.861 0.880 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816872 856318854 /nfs/dbraw/zinc/31/88/54/856318854.db2.gz FIFDRODENGQGPB-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816872 856318861 /nfs/dbraw/zinc/31/88/61/856318861.db2.gz FIFDRODENGQGPB-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220816872 856318868 /nfs/dbraw/zinc/31/88/68/856318868.db2.gz FIFDRODENGQGPB-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220816872 856318879 /nfs/dbraw/zinc/31/88/79/856318879.db2.gz FIFDRODENGQGPB-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816957 856319047 /nfs/dbraw/zinc/31/90/47/856319047.db2.gz ISMORCKSNFYLNG-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816957 856319055 /nfs/dbraw/zinc/31/90/55/856319055.db2.gz ISMORCKSNFYLNG-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816957 856319061 /nfs/dbraw/zinc/31/90/61/856319061.db2.gz ISMORCKSNFYLNG-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816957 856319067 /nfs/dbraw/zinc/31/90/67/856319067.db2.gz ISMORCKSNFYLNG-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP [NH3+]CCN=c1ccc(Br)cn1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220871109 856350264 /nfs/dbraw/zinc/35/02/64/856350264.db2.gz SYJDTQHHMGJJMW-UHFFFAOYSA-N 3 2 356.268 0.092 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221161437 856493014 /nfs/dbraw/zinc/49/30/14/856493014.db2.gz MDQNYMYLEARSRS-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221161437 856493020 /nfs/dbraw/zinc/49/30/20/856493020.db2.gz MDQNYMYLEARSRS-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 ZINC001221181651 856501776 /nfs/dbraw/zinc/50/17/76/856501776.db2.gz NAMDHBSRTIACSN-KOLCDFICSA-N 2 2 358.368 0.270 20 0 FCADLP [NH3+]CCCP(CCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001221271834 856534373 /nfs/dbraw/zinc/53/43/73/856534373.db2.gz KHWJMEJFADYGEN-KUBUGBAWSA-N 3 2 362.458 0.871 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc(F)c1O ZINC001279283119 862808827 /nfs/dbraw/zinc/80/88/27/862808827.db2.gz AQLMOMGBSZQWAS-RDJZCZTQSA-N 2 2 353.438 0.987 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc(F)c1O ZINC001279283119 862808841 /nfs/dbraw/zinc/80/88/41/862808841.db2.gz AQLMOMGBSZQWAS-RDJZCZTQSA-N 2 2 353.438 0.987 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221357025 856554773 /nfs/dbraw/zinc/55/47/73/856554773.db2.gz FTQJEBZNAZZPQD-GJZGRUSLSA-N 2 2 356.511 0.339 20 0 FCADLP CC[N@@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC001221460693 856576086 /nfs/dbraw/zinc/57/60/86/856576086.db2.gz KQKREXKHHRXKPD-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC001221460693 856576088 /nfs/dbraw/zinc/57/60/88/856576088.db2.gz KQKREXKHHRXKPD-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537885 856598416 /nfs/dbraw/zinc/59/84/16/856598416.db2.gz OFSFZWHIHOJHHX-IXDOHACOSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537885 856598424 /nfs/dbraw/zinc/59/84/24/856598424.db2.gz OFSFZWHIHOJHHX-IXDOHACOSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221537885 856598429 /nfs/dbraw/zinc/59/84/29/856598429.db2.gz OFSFZWHIHOJHHX-IXDOHACOSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221537885 856598436 /nfs/dbraw/zinc/59/84/36/856598436.db2.gz OFSFZWHIHOJHHX-IXDOHACOSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001221560888 856606145 /nfs/dbraw/zinc/60/61/45/856606145.db2.gz NESDXGDHFJXDTF-KLHDSHLOSA-N 2 2 357.520 0.294 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001221560888 856606147 /nfs/dbraw/zinc/60/61/47/856606147.db2.gz NESDXGDHFJXDTF-KLHDSHLOSA-N 2 2 357.520 0.294 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560888 856606150 /nfs/dbraw/zinc/60/61/50/856606150.db2.gz NESDXGDHFJXDTF-KLHDSHLOSA-N 2 2 357.520 0.294 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560888 856606152 /nfs/dbraw/zinc/60/61/52/856606152.db2.gz NESDXGDHFJXDTF-KLHDSHLOSA-N 2 2 357.520 0.294 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221584766 856613557 /nfs/dbraw/zinc/61/35/57/856613557.db2.gz BRVGGYSXOXIQQD-GDBMZVCRSA-N 2 2 367.515 0.965 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221584766 856613564 /nfs/dbraw/zinc/61/35/64/856613564.db2.gz BRVGGYSXOXIQQD-GDBMZVCRSA-N 2 2 367.515 0.965 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595107 856620263 /nfs/dbraw/zinc/62/02/63/856620263.db2.gz SWJURECBIFUDPN-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595107 856620268 /nfs/dbraw/zinc/62/02/68/856620268.db2.gz SWJURECBIFUDPN-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595107 856620272 /nfs/dbraw/zinc/62/02/72/856620272.db2.gz SWJURECBIFUDPN-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595107 856620276 /nfs/dbraw/zinc/62/02/76/856620276.db2.gz SWJURECBIFUDPN-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595129 856620363 /nfs/dbraw/zinc/62/03/63/856620363.db2.gz UKZKIRDCJWYWQA-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595129 856620365 /nfs/dbraw/zinc/62/03/65/856620365.db2.gz UKZKIRDCJWYWQA-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595129 856620368 /nfs/dbraw/zinc/62/03/68/856620368.db2.gz UKZKIRDCJWYWQA-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221595129 856620372 /nfs/dbraw/zinc/62/03/72/856620372.db2.gz UKZKIRDCJWYWQA-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814816 856694543 /nfs/dbraw/zinc/69/45/43/856694543.db2.gz DMIKEKDXDZNTHH-HZPDHXFCSA-N 2 2 350.507 0.729 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814816 856694554 /nfs/dbraw/zinc/69/45/54/856694554.db2.gz DMIKEKDXDZNTHH-HZPDHXFCSA-N 2 2 350.507 0.729 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814816 856694564 /nfs/dbraw/zinc/69/45/64/856694564.db2.gz DMIKEKDXDZNTHH-HZPDHXFCSA-N 2 2 350.507 0.729 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814816 856694572 /nfs/dbraw/zinc/69/45/72/856694572.db2.gz DMIKEKDXDZNTHH-HZPDHXFCSA-N 2 2 350.507 0.729 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947065 856743669 /nfs/dbraw/zinc/74/36/69/856743669.db2.gz QFZZJHJLCWTQHC-MRVWCRGKSA-N 2 2 360.380 0.809 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001221947065 856743673 /nfs/dbraw/zinc/74/36/73/856743673.db2.gz QFZZJHJLCWTQHC-MRVWCRGKSA-N 2 2 360.380 0.809 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973554 856754209 /nfs/dbraw/zinc/75/42/09/856754209.db2.gz CHPFMKYIYHQJHX-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973554 856754217 /nfs/dbraw/zinc/75/42/17/856754217.db2.gz CHPFMKYIYHQJHX-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973554 856754221 /nfs/dbraw/zinc/75/42/21/856754221.db2.gz CHPFMKYIYHQJHX-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973554 856754228 /nfs/dbraw/zinc/75/42/28/856754228.db2.gz CHPFMKYIYHQJHX-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221988792 856758949 /nfs/dbraw/zinc/75/89/49/856758949.db2.gz GEIAPKABIZUWOA-NVXWUHKLSA-N 2 2 350.463 0.548 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221988792 856758951 /nfs/dbraw/zinc/75/89/51/856758951.db2.gz GEIAPKABIZUWOA-NVXWUHKLSA-N 2 2 350.463 0.548 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013582 856766886 /nfs/dbraw/zinc/76/68/86/856766886.db2.gz GRHKQSWWMQIJON-OWCLPIDISA-N 2 2 350.507 0.633 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013582 856766893 /nfs/dbraw/zinc/76/68/93/856766893.db2.gz GRHKQSWWMQIJON-OWCLPIDISA-N 2 2 350.507 0.633 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013582 856766900 /nfs/dbraw/zinc/76/69/00/856766900.db2.gz GRHKQSWWMQIJON-OWCLPIDISA-N 2 2 350.507 0.633 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]32)C1 ZINC001222013582 856766906 /nfs/dbraw/zinc/76/69/06/856766906.db2.gz GRHKQSWWMQIJON-OWCLPIDISA-N 2 2 350.507 0.633 20 0 FCADLP COC[C@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224600485 856991562 /nfs/dbraw/zinc/99/15/62/856991562.db2.gz UVUSKVAQSHNORB-BZUAXINKSA-N 2 2 350.463 0.359 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCO)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001227728676 857173167 /nfs/dbraw/zinc/17/31/67/857173167.db2.gz QHXBDQWUTAYELX-KURKYZTESA-N 2 2 353.507 0.887 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCO)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001227728676 857173171 /nfs/dbraw/zinc/17/31/71/857173171.db2.gz QHXBDQWUTAYELX-KURKYZTESA-N 2 2 353.507 0.887 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001228669223 857222448 /nfs/dbraw/zinc/22/24/48/857222448.db2.gz OQVSQTGCKRJGHE-KLHDSHLOSA-N 2 2 350.463 0.550 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1 ZINC001230152413 857308092 /nfs/dbraw/zinc/30/80/92/857308092.db2.gz KZWOLLORBNWTIP-NUEKZKHPSA-N 2 2 351.451 0.555 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001230274608 857322922 /nfs/dbraw/zinc/32/29/22/857322922.db2.gz BZWFKIIKEAPPBS-BZUAXINKSA-N 2 2 359.536 0.922 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001230274608 857322926 /nfs/dbraw/zinc/32/29/26/857322926.db2.gz BZWFKIIKEAPPBS-BZUAXINKSA-N 2 2 359.536 0.922 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)O1 ZINC001235543213 857427747 /nfs/dbraw/zinc/42/77/47/857427747.db2.gz VCVKKGMOFANICA-XUWVNRHRSA-N 2 2 353.463 0.602 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)O1 ZINC001235543213 857427750 /nfs/dbraw/zinc/42/77/50/857427750.db2.gz VCVKKGMOFANICA-XUWVNRHRSA-N 2 2 353.463 0.602 20 0 FCADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001238806965 857480143 /nfs/dbraw/zinc/48/01/43/857480143.db2.gz BHAQQKQQIVRHJB-ZDUSSCGKSA-N 2 2 362.293 0.902 20 0 FCADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001238806965 857480146 /nfs/dbraw/zinc/48/01/46/857480146.db2.gz BHAQQKQQIVRHJB-ZDUSSCGKSA-N 2 2 362.293 0.902 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001238921359 857489715 /nfs/dbraw/zinc/48/97/15/857489715.db2.gz LABFXFREJBMAKP-UHFFFAOYSA-N 2 2 352.504 0.919 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001238921359 857489724 /nfs/dbraw/zinc/48/97/24/857489724.db2.gz LABFXFREJBMAKP-UHFFFAOYSA-N 2 2 352.504 0.919 20 0 FCADLP C[N@H+](Cc1ccco1)[C@@H]1CN(S(=O)(=O)CC[NH3+])C[C@@H]2CCCO[C@H]12 ZINC001239076150 857506389 /nfs/dbraw/zinc/50/63/89/857506389.db2.gz BCNZFBSXNRNTIR-IMJJTQAJSA-N 2 2 357.476 0.479 20 0 FCADLP C[N@@H+](Cc1ccco1)[C@@H]1CN(S(=O)(=O)CC[NH3+])C[C@@H]2CCCO[C@H]12 ZINC001239076150 857506393 /nfs/dbraw/zinc/50/63/93/857506393.db2.gz BCNZFBSXNRNTIR-IMJJTQAJSA-N 2 2 357.476 0.479 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001239424975 857527714 /nfs/dbraw/zinc/52/77/14/857527714.db2.gz ROOPNLAOYYMILQ-QGZVFWFLSA-N 2 2 355.552 0.001 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246035062 857566305 /nfs/dbraw/zinc/56/63/05/857566305.db2.gz YOIRXGVHUUITET-DLBZAZTESA-N 3 2 355.429 0.650 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246035062 857566310 /nfs/dbraw/zinc/56/63/10/857566310.db2.gz YOIRXGVHUUITET-DLBZAZTESA-N 3 2 355.429 0.650 20 0 FCADLP C[C@H]1CC[C@@H]([NH2+]CCN2CCN(S(=O)(=O)c3ccccc3)CC2)C[NH2+]1 ZINC001246275061 857572676 /nfs/dbraw/zinc/57/26/76/857572676.db2.gz DEKRVGRMVUDXKB-DLBZAZTESA-N 2 2 366.531 0.723 20 0 FCADLP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698632 857591034 /nfs/dbraw/zinc/59/10/34/857591034.db2.gz CCVUWHBNJQUHPF-RXYDEIHYSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@@H]1CC[C@@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698632 857591043 /nfs/dbraw/zinc/59/10/43/857591043.db2.gz CCVUWHBNJQUHPF-RXYDEIHYSA-N 2 2 351.491 0.998 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](n2nc(COCc3nccs3)c3c2C[NH2+]C3)C[NH2+]1 ZINC001246703007 857591544 /nfs/dbraw/zinc/59/15/44/857591544.db2.gz HHDFGFCGBNCOLV-PWSUYJOCSA-N 2 2 363.443 0.736 20 0 FCADLP c1csc(COCc2nn([C@H]3CC[NH2+]C4(CNC4)C3)c3c2C[NH2+]C3)n1 ZINC001246704574 857592189 /nfs/dbraw/zinc/59/21/89/857592189.db2.gz KRWPLEBQBUBCCL-LBPRGKRZSA-N 2 2 360.487 0.926 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517077 862931857 /nfs/dbraw/zinc/93/18/57/862931857.db2.gz HQSOYAMYDHZUQP-SJLPKXTDSA-N 2 2 350.463 0.859 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517077 862931862 /nfs/dbraw/zinc/93/18/62/862931862.db2.gz HQSOYAMYDHZUQP-SJLPKXTDSA-N 2 2 350.463 0.859 20 0 FCADLP CS(=O)(=O)c1ccccc1-c1noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n1 ZINC001248638775 857634160 /nfs/dbraw/zinc/63/41/60/857634160.db2.gz HAJCORQRRYYCGQ-JTQLQIEISA-N 2 2 352.420 0.403 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC001252062350 857781663 /nfs/dbraw/zinc/78/16/63/857781663.db2.gz OIFWHIWUCGGKER-INIZCTEOSA-N 2 2 357.495 0.793 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)C(=O)OC)CC2)cc1 ZINC001252445603 857808278 /nfs/dbraw/zinc/80/82/78/857808278.db2.gz VSLTWDVPAQGBQZ-MRXNPFEDSA-N 2 2 350.415 0.561 20 0 FCADLP CC[NH+](CC)C[C@@H](O)CN1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC001253181241 857869241 /nfs/dbraw/zinc/86/92/41/857869241.db2.gz RBIBHGQLSUVPGQ-MRXNPFEDSA-N 2 2 358.527 0.831 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cnsc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279565060 862960176 /nfs/dbraw/zinc/96/01/76/862960176.db2.gz VYNZUTADZGYPOD-QGZVFWFLSA-N 2 2 351.520 0.861 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cnsc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279565060 862960189 /nfs/dbraw/zinc/96/01/89/862960189.db2.gz VYNZUTADZGYPOD-QGZVFWFLSA-N 2 2 351.520 0.861 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001253762001 857911227 /nfs/dbraw/zinc/91/12/27/857911227.db2.gz ZEBCQJRMWQHQDU-IAGOWNOFSA-N 2 2 351.495 0.844 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001253762001 857911232 /nfs/dbraw/zinc/91/12/32/857911232.db2.gz ZEBCQJRMWQHQDU-IAGOWNOFSA-N 2 2 351.495 0.844 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001253795310 857912908 /nfs/dbraw/zinc/91/29/08/857912908.db2.gz NXJIYFMRQMRMDC-WMZOPIPTSA-N 2 2 358.479 0.361 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001253795310 857912915 /nfs/dbraw/zinc/91/29/15/857912915.db2.gz NXJIYFMRQMRMDC-WMZOPIPTSA-N 2 2 358.479 0.361 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253795310 857912923 /nfs/dbraw/zinc/91/29/23/857912923.db2.gz NXJIYFMRQMRMDC-WMZOPIPTSA-N 2 2 358.479 0.361 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253795310 857912931 /nfs/dbraw/zinc/91/29/31/857912931.db2.gz NXJIYFMRQMRMDC-WMZOPIPTSA-N 2 2 358.479 0.361 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001254046566 857935698 /nfs/dbraw/zinc/93/56/98/857935698.db2.gz ULEUSCCMXVYBLS-HNNXBMFYSA-N 2 2 351.451 0.409 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001254046566 857935705 /nfs/dbraw/zinc/93/57/05/857935705.db2.gz ULEUSCCMXVYBLS-HNNXBMFYSA-N 2 2 351.451 0.409 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516647 857976485 /nfs/dbraw/zinc/97/64/85/857976485.db2.gz BWCUPONICJBUDX-QFBILLFUSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516647 857976488 /nfs/dbraw/zinc/97/64/88/857976488.db2.gz BWCUPONICJBUDX-QFBILLFUSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254516647 857976491 /nfs/dbraw/zinc/97/64/91/857976491.db2.gz BWCUPONICJBUDX-QFBILLFUSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254516647 857976493 /nfs/dbraw/zinc/97/64/93/857976493.db2.gz BWCUPONICJBUDX-QFBILLFUSA-N 2 2 350.507 0.873 20 0 FCADLP COCCOCN1CCO[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279616527 862982375 /nfs/dbraw/zinc/98/23/75/862982375.db2.gz AJAFQJQVMHCIRY-SFHVURJKSA-N 2 2 350.463 0.781 20 0 FCADLP COCCOCN1CCO[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279616527 862982386 /nfs/dbraw/zinc/98/23/86/862982386.db2.gz AJAFQJQVMHCIRY-SFHVURJKSA-N 2 2 350.463 0.781 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)C1 ZINC001255677048 858028332 /nfs/dbraw/zinc/02/83/32/858028332.db2.gz KQPFSTKATMQDTG-ZZJWQFMZSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)C1 ZINC001255677048 858028339 /nfs/dbraw/zinc/02/83/39/858028339.db2.gz KQPFSTKATMQDTG-ZZJWQFMZSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001255677048 858028350 /nfs/dbraw/zinc/02/83/50/858028350.db2.gz KQPFSTKATMQDTG-ZZJWQFMZSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001255677048 858028361 /nfs/dbraw/zinc/02/83/61/858028361.db2.gz KQPFSTKATMQDTG-ZZJWQFMZSA-N 2 2 351.491 0.951 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256624024 858093821 /nfs/dbraw/zinc/09/38/21/858093821.db2.gz PKMCPNDRTCAFLG-WFVVYAPDSA-N 2 2 351.491 0.998 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256624024 858093825 /nfs/dbraw/zinc/09/38/25/858093825.db2.gz PKMCPNDRTCAFLG-WFVVYAPDSA-N 2 2 351.491 0.998 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697021 858096310 /nfs/dbraw/zinc/09/63/10/858096310.db2.gz RJFJQPGNEREREP-WWDZGPRUSA-N 3 2 352.523 0.772 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256697021 858096321 /nfs/dbraw/zinc/09/63/21/858096321.db2.gz RJFJQPGNEREREP-WWDZGPRUSA-N 3 2 352.523 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@@H+]1C ZINC001266218490 859473438 /nfs/dbraw/zinc/47/34/38/859473438.db2.gz QPXQNPMSRKYAAC-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC3(CS(C)(=O)=O)CC3)C2)CC[N@H+]1C ZINC001266218490 859473440 /nfs/dbraw/zinc/47/34/40/859473440.db2.gz QPXQNPMSRKYAAC-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001266218490 859473444 /nfs/dbraw/zinc/47/34/44/859473444.db2.gz QPXQNPMSRKYAAC-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC3(CS(C)(=O)=O)CC3)C2)CC[NH+]1C ZINC001266218490 859473448 /nfs/dbraw/zinc/47/34/48/859473448.db2.gz QPXQNPMSRKYAAC-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001273209247 860409460 /nfs/dbraw/zinc/40/94/60/860409460.db2.gz BLZDEAAUNMWXKG-ILXRZTDVSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001273209247 860409471 /nfs/dbraw/zinc/40/94/71/860409471.db2.gz BLZDEAAUNMWXKG-ILXRZTDVSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001273209247 860409475 /nfs/dbraw/zinc/40/94/75/860409475.db2.gz BLZDEAAUNMWXKG-ILXRZTDVSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001273209247 860409482 /nfs/dbraw/zinc/40/94/82/860409482.db2.gz BLZDEAAUNMWXKG-ILXRZTDVSA-N 2 2 350.488 0.815 20 0 FCADLP CC[NH+]1CCC(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC001273333438 860456886 /nfs/dbraw/zinc/45/68/86/860456886.db2.gz NRLAUYBMDHSAON-CALCHBBNSA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CCC(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC001273333438 860456890 /nfs/dbraw/zinc/45/68/90/860456890.db2.gz NRLAUYBMDHSAON-CALCHBBNSA-N 2 2 350.507 0.872 20 0 FCADLP O=C(CN1CC2(C[NH+](CC3CC[NH2+]CC3)C2)OCC1=O)c1cccs1 ZINC001275738194 861181690 /nfs/dbraw/zinc/18/16/90/861181690.db2.gz UXSJFVWUNJGSOP-UHFFFAOYSA-N 2 2 363.483 0.844 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279914058 863132555 /nfs/dbraw/zinc/13/25/55/863132555.db2.gz MIINKSCKDXAXQK-CQSZACIVSA-N 2 2 354.520 0.093 20 0 FCADLP COC(C)(C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280056060 863227586 /nfs/dbraw/zinc/22/75/86/863227586.db2.gz GGQXSOVNELJQPH-IXDOHACOSA-N 2 2 351.491 0.807 20 0 FCADLP COC(C)(C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280056060 863227598 /nfs/dbraw/zinc/22/75/98/863227598.db2.gz GGQXSOVNELJQPH-IXDOHACOSA-N 2 2 351.491 0.807 20 0 FCADLP C[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)CC1 ZINC001280070992 863242190 /nfs/dbraw/zinc/24/21/90/863242190.db2.gz IJGVRXCMWMNNEY-OLZOCXBDSA-N 2 2 350.385 0.738 20 0 FCADLP C[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)CC1 ZINC001280070992 863242206 /nfs/dbraw/zinc/24/22/06/863242206.db2.gz IJGVRXCMWMNNEY-OLZOCXBDSA-N 2 2 350.385 0.738 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1 ZINC001280217788 863342088 /nfs/dbraw/zinc/34/20/88/863342088.db2.gz CGVZAEZKEZPDOZ-QGZVFWFLSA-N 2 2 350.467 0.074 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC001280217788 863342102 /nfs/dbraw/zinc/34/21/02/863342102.db2.gz CGVZAEZKEZPDOZ-QGZVFWFLSA-N 2 2 350.467 0.074 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CN(C)CC(F)(F)F)CC1 ZINC001307774891 866673561 /nfs/dbraw/zinc/67/35/61/866673561.db2.gz UPETVLATIKWBMX-CQSZACIVSA-N 2 2 355.445 0.914 20 0 FCADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)ccn1 ZINC001308355296 866713173 /nfs/dbraw/zinc/71/31/73/866713173.db2.gz SSXFPOJTDHXAPF-UHFFFAOYSA-N 2 2 354.432 0.552 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001351787974 866968053 /nfs/dbraw/zinc/96/80/53/866968053.db2.gz RPCNPZQTWDXTEW-IKGGRYGDSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001351787974 866968070 /nfs/dbraw/zinc/96/80/70/866968070.db2.gz RPCNPZQTWDXTEW-IKGGRYGDSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001316617507 867366229 /nfs/dbraw/zinc/36/62/29/867366229.db2.gz JOJRKGDGGJFESX-UXXRCYHCSA-N 2 2 368.503 0.678 20 0 FCADLP C[C@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)CS(C)(=O)=O ZINC001316617507 867366244 /nfs/dbraw/zinc/36/62/44/867366244.db2.gz JOJRKGDGGJFESX-UXXRCYHCSA-N 2 2 368.503 0.678 20 0 FCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001353327829 867397810 /nfs/dbraw/zinc/39/78/10/867397810.db2.gz KFIPZPYGJFARAZ-KSSFIOAISA-N 2 2 351.447 0.213 20 0 FCADLP CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001353574727 867450732 /nfs/dbraw/zinc/45/07/32/867450732.db2.gz VFZPSPDKVOCTSB-LEUOFYLZSA-N 2 2 351.491 0.665 20 0 FCADLP CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001353574727 867450738 /nfs/dbraw/zinc/45/07/38/867450738.db2.gz VFZPSPDKVOCTSB-LEUOFYLZSA-N 2 2 351.491 0.665 20 0 FCADLP C[NH+](C)CCN(C(=S)NC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001317976074 867590088 /nfs/dbraw/zinc/59/00/88/867590088.db2.gz RYAFYIKGVPPPLF-AWEZNQCLSA-N 2 2 362.565 0.006 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(F)F)s2)CC[N@@H+]1C ZINC001320229286 868114497 /nfs/dbraw/zinc/11/44/97/868114497.db2.gz FLYWNFSGQKKXLS-KXUCPTDWSA-N 2 2 363.434 0.383 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(F)F)s2)CC[N@H+]1C ZINC001320229286 868114504 /nfs/dbraw/zinc/11/45/04/868114504.db2.gz FLYWNFSGQKKXLS-KXUCPTDWSA-N 2 2 363.434 0.383 20 0 FCADLP CC(C)CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001323430674 869190262 /nfs/dbraw/zinc/19/02/62/869190262.db2.gz ADVUJKJOGQIWQB-HNNXBMFYSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001323430674 869190267 /nfs/dbraw/zinc/19/02/67/869190267.db2.gz ADVUJKJOGQIWQB-HNNXBMFYSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1=CC[N@H+](C)CC1 ZINC001323612853 869277534 /nfs/dbraw/zinc/27/75/34/869277534.db2.gz QDODHTZDELBIEQ-CQSZACIVSA-N 2 2 372.535 0.445 20 0 FCADLP C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC001323612853 869277544 /nfs/dbraw/zinc/27/75/44/869277544.db2.gz QDODHTZDELBIEQ-CQSZACIVSA-N 2 2 372.535 0.445 20 0 FCADLP CN(C(=O)NCCCCS(C)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325948161 870108279 /nfs/dbraw/zinc/10/82/79/870108279.db2.gz LNEXSWYLJRZIRF-MRXNPFEDSA-N 2 2 374.551 0.621 20 0 FCADLP CN(C(=O)NCCCCS(C)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325948161 870108286 /nfs/dbraw/zinc/10/82/86/870108286.db2.gz LNEXSWYLJRZIRF-MRXNPFEDSA-N 2 2 374.551 0.621 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001326215187 870211865 /nfs/dbraw/zinc/21/18/65/870211865.db2.gz GPOKDSZCYZMIJV-UHFFFAOYSA-N 2 2 358.552 0.682 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001326215187 870211876 /nfs/dbraw/zinc/21/18/76/870211876.db2.gz GPOKDSZCYZMIJV-UHFFFAOYSA-N 2 2 358.552 0.682 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326880755 870549081 /nfs/dbraw/zinc/54/90/81/870549081.db2.gz BCBXYAVVEPJWKK-KCQAQPDRSA-N 2 2 354.520 0.281 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326880755 870549086 /nfs/dbraw/zinc/54/90/86/870549086.db2.gz BCBXYAVVEPJWKK-KCQAQPDRSA-N 2 2 354.520 0.281 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC(C1CC1)C1CC1 ZINC001327391349 870834905 /nfs/dbraw/zinc/83/49/05/870834905.db2.gz LDIAJOBUKGVKHQ-UHFFFAOYSA-N 2 2 350.507 0.776 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC(C1CC1)C1CC1 ZINC001327391349 870834923 /nfs/dbraw/zinc/83/49/23/870834923.db2.gz LDIAJOBUKGVKHQ-UHFFFAOYSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C1CC1)N(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001327626151 870981220 /nfs/dbraw/zinc/98/12/20/870981220.db2.gz BHUZTSZVWAZTOD-AWEZNQCLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[C@@H]1C[N@H+](C)CCN1C ZINC001346606430 871928054 /nfs/dbraw/zinc/92/80/54/871928054.db2.gz MYRJBMGNEFXIAG-TWMKSMIVSA-N 2 2 353.511 0.125 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346606430 871928070 /nfs/dbraw/zinc/92/80/70/871928070.db2.gz MYRJBMGNEFXIAG-TWMKSMIVSA-N 2 2 353.511 0.125 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001346606432 871929899 /nfs/dbraw/zinc/92/98/99/871929899.db2.gz MYRJBMGNEFXIAG-YYIAUSFCSA-N 2 2 353.511 0.125 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001346606432 871929924 /nfs/dbraw/zinc/92/99/24/871929924.db2.gz MYRJBMGNEFXIAG-YYIAUSFCSA-N 2 2 353.511 0.125 20 0 FCADLP CC1CC(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001331356517 873072252 /nfs/dbraw/zinc/07/22/52/873072252.db2.gz GZYLZHMPUMBTSB-UHFFFAOYSA-N 2 2 350.507 0.824 20 0 FCADLP Cc1nn(C)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001331996411 873327512 /nfs/dbraw/zinc/32/75/12/873327512.db2.gz KYGPACFIAUESAW-GASCZTMLSA-N 2 2 353.492 0.318 20 0 FCADLP Cc1nn(C)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001331996411 873327529 /nfs/dbraw/zinc/32/75/29/873327529.db2.gz KYGPACFIAUESAW-GASCZTMLSA-N 2 2 353.492 0.318 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)c1nnnn1C[C@H]1CCCCO1 ZINC001332547246 873554251 /nfs/dbraw/zinc/55/42/51/873554251.db2.gz YNPXWDFGKMUBAY-MRXNPFEDSA-N 2 2 351.499 0.704 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnnn1C[C@H]1CCCCO1 ZINC001332547246 873554264 /nfs/dbraw/zinc/55/42/64/873554264.db2.gz YNPXWDFGKMUBAY-MRXNPFEDSA-N 2 2 351.499 0.704 20 0 FCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918600 948855673 /nfs/dbraw/zinc/85/56/73/948855673.db2.gz OLIVBTOSAFYTED-ZDUSSCGKSA-N 2 2 369.433 0.525 20 0 FCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920179 948891168 /nfs/dbraw/zinc/89/11/68/948891168.db2.gz FBBHHTWXKCIBJZ-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574942255 949341607 /nfs/dbraw/zinc/34/16/07/949341607.db2.gz MGMSFHXXWYIJHU-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574948286 949458208 /nfs/dbraw/zinc/45/82/08/949458208.db2.gz HOFIDDNUSPJCIB-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875303 949632405 /nfs/dbraw/zinc/63/24/05/949632405.db2.gz HZDZERSPNYFFBM-ZFWWWQNUSA-N 2 2 370.461 0.831 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574728658 950000763 /nfs/dbraw/zinc/00/07/63/950000763.db2.gz GLRUFBXROQQIDZ-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574729053 950014712 /nfs/dbraw/zinc/01/47/12/950014712.db2.gz MZVXUYNBGUYWGT-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574730652 950031029 /nfs/dbraw/zinc/03/10/29/950031029.db2.gz AYGBOSKOZXXJMN-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574492071 950059446 /nfs/dbraw/zinc/05/94/46/950059446.db2.gz IUABREOMWYOIRA-OLZOCXBDSA-N 2 2 367.417 0.804 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574732582 950073975 /nfs/dbraw/zinc/07/39/75/950073975.db2.gz KJXQRCAIXOXLSM-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574497898 950248328 /nfs/dbraw/zinc/24/83/28/950248328.db2.gz FZLDZWXNRUKUAV-LBPRGKRZSA-N 2 2 367.417 0.592 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575911697 950451903 /nfs/dbraw/zinc/45/19/03/950451903.db2.gz PKBJYSKGQKAXAD-BBRMVZONSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205574 950524807 /nfs/dbraw/zinc/52/48/07/950524807.db2.gz AVKYTFUBWOKGKM-UONOGXRCSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205574 950524815 /nfs/dbraw/zinc/52/48/15/950524815.db2.gz AVKYTFUBWOKGKM-UONOGXRCSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001576206335 950571472 /nfs/dbraw/zinc/57/14/72/950571472.db2.gz WPAKKIOTMQABAD-ZDUSSCGKSA-N 2 2 370.461 0.476 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001576206335 950571480 /nfs/dbraw/zinc/57/14/80/950571480.db2.gz WPAKKIOTMQABAD-ZDUSSCGKSA-N 2 2 370.461 0.476 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571025980 951464123 /nfs/dbraw/zinc/46/41/23/951464123.db2.gz OQSNGYDRZICVBW-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571025980 951464128 /nfs/dbraw/zinc/46/41/28/951464128.db2.gz OQSNGYDRZICVBW-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571026231 951473419 /nfs/dbraw/zinc/47/34/19/951473419.db2.gz WEVNMODFGJMSTN-HNNXBMFYSA-N 2 2 366.429 0.533 20 0 FCADLP Cc1cc(N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039159 951653385 /nfs/dbraw/zinc/65/33/85/951653385.db2.gz YNEJTWCTJHRDID-ZDUSSCGKSA-N 2 2 367.417 0.292 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575079478 951691861 /nfs/dbraw/zinc/69/18/61/951691861.db2.gz FFVMKSIWVWOVNJ-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107005 951911122 /nfs/dbraw/zinc/91/11/22/951911122.db2.gz XHRCCPUCMAUKSD-GFCCVEGCSA-N 2 2 354.418 0.674 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575109289 951930340 /nfs/dbraw/zinc/93/03/40/951930340.db2.gz RJHKFVMCHSVDCY-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571071468 952058948 /nfs/dbraw/zinc/05/89/48/952058948.db2.gz XJAOKBCUJWZREH-CYBMUJFWSA-N 2 2 370.392 0.593 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575146657 952196611 /nfs/dbraw/zinc/19/66/11/952196611.db2.gz MXEDGQBLQCJJER-ZDUSSCGKSA-N 2 2 369.433 0.619 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083138 214075591 /nfs/dbraw/zinc/07/55/91/214075591.db2.gz CONSKIAKWWXBFH-RDJZCZTQSA-N 2 2 367.515 0.772 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083138 214075593 /nfs/dbraw/zinc/07/55/93/214075593.db2.gz CONSKIAKWWXBFH-RDJZCZTQSA-N 2 2 367.515 0.772 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)Nc2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)C1 ZINC000292533572 214107961 /nfs/dbraw/zinc/10/79/61/214107961.db2.gz PGUDUAJHMGWDPP-IYBDPMFKSA-N 2 2 362.430 0.225 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)Nc2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)C1 ZINC000292533572 214107965 /nfs/dbraw/zinc/10/79/65/214107965.db2.gz PGUDUAJHMGWDPP-IYBDPMFKSA-N 2 2 362.430 0.225 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)Nc2cccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2)C1 ZINC000292533572 214107968 /nfs/dbraw/zinc/10/79/68/214107968.db2.gz PGUDUAJHMGWDPP-IYBDPMFKSA-N 2 2 362.430 0.225 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)Nc2cccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2)C1 ZINC000292533572 214107972 /nfs/dbraw/zinc/10/79/72/214107972.db2.gz PGUDUAJHMGWDPP-IYBDPMFKSA-N 2 2 362.430 0.225 20 0 FCADLP Cc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000294027724 214218897 /nfs/dbraw/zinc/21/88/97/214218897.db2.gz ZZDGXFABNSJAOS-HNNXBMFYSA-N 2 2 371.441 0.762 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000294743015 214262183 /nfs/dbraw/zinc/26/21/83/214262183.db2.gz JYUXAKYQEDLCHS-UHFFFAOYSA-N 2 2 372.473 0.753 20 0 FCADLP COc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OC ZINC000265872183 210240894 /nfs/dbraw/zinc/24/08/94/210240894.db2.gz QARQDZUIMVCIJD-INIZCTEOSA-N 2 2 363.458 0.727 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)/C=C/C[NH+](C)C)CC2)cc1 ZINC000265689399 210198227 /nfs/dbraw/zinc/19/82/27/210198227.db2.gz MQOHPLLAKBWYIB-SNAWJCMRSA-N 2 2 374.485 0.687 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCN(C)C3=O)CC2)c1 ZINC000265671570 210194691 /nfs/dbraw/zinc/19/46/91/210194691.db2.gz XOFVKMOTQHLVQU-GOSISDBHSA-N 2 2 358.486 0.802 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCN(C)C3=O)CC2)c1 ZINC000265671570 210194694 /nfs/dbraw/zinc/19/46/94/210194694.db2.gz XOFVKMOTQHLVQU-GOSISDBHSA-N 2 2 358.486 0.802 20 0 FCADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265661109 210190418 /nfs/dbraw/zinc/19/04/18/210190418.db2.gz XFFNPAZILNVIEO-RKPUJPDHSA-N 2 2 364.515 0.962 20 0 FCADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265661109 210190423 /nfs/dbraw/zinc/19/04/23/210190423.db2.gz XFFNPAZILNVIEO-RKPUJPDHSA-N 2 2 364.515 0.962 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000265630951 210182967 /nfs/dbraw/zinc/18/29/67/210182967.db2.gz RWCUKSBRZBOFAF-INIZCTEOSA-N 2 2 363.462 0.438 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000265630951 210182970 /nfs/dbraw/zinc/18/29/70/210182970.db2.gz RWCUKSBRZBOFAF-INIZCTEOSA-N 2 2 363.462 0.438 20 0 FCADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000262088018 529870417 /nfs/dbraw/zinc/87/04/17/529870417.db2.gz LGBGUHHOCBSXAW-UHFFFAOYSA-N 3 2 359.518 0.842 20 0 FCADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000262088018 529870419 /nfs/dbraw/zinc/87/04/19/529870419.db2.gz LGBGUHHOCBSXAW-UHFFFAOYSA-N 3 2 359.518 0.842 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000163235041 530036496 /nfs/dbraw/zinc/03/64/96/530036496.db2.gz OPUJMSQMFHJVOU-ZDUSSCGKSA-N 2 2 354.476 0.019 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000331513190 215007274 /nfs/dbraw/zinc/00/72/74/215007274.db2.gz RJDVBLJNXQSJFT-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000331513190 215007276 /nfs/dbraw/zinc/00/72/76/215007276.db2.gz RJDVBLJNXQSJFT-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331513190 215007278 /nfs/dbraw/zinc/00/72/78/215007278.db2.gz RJDVBLJNXQSJFT-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331513190 215007279 /nfs/dbraw/zinc/00/72/79/215007279.db2.gz RJDVBLJNXQSJFT-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000331636361 215026582 /nfs/dbraw/zinc/02/65/82/215026582.db2.gz SERSTAXNKNFMSS-XHSDSOJGSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000331636361 215026583 /nfs/dbraw/zinc/02/65/83/215026583.db2.gz SERSTAXNKNFMSS-XHSDSOJGSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000331636361 215026586 /nfs/dbraw/zinc/02/65/86/215026586.db2.gz SERSTAXNKNFMSS-XHSDSOJGSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000331636361 215026589 /nfs/dbraw/zinc/02/65/89/215026589.db2.gz SERSTAXNKNFMSS-XHSDSOJGSA-N 2 2 366.506 0.297 20 0 FCADLP CN(C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1nccs1 ZINC000331819690 215051178 /nfs/dbraw/zinc/05/11/78/215051178.db2.gz OJFXXZDRBQSTHU-UHFFFAOYSA-N 2 2 354.476 0.265 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H](C)[N@H+]1C ZINC000331836097 215053335 /nfs/dbraw/zinc/05/33/35/215053335.db2.gz SQZDIGMRMWWTAH-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H](C)[N@@H+]1C ZINC000331836097 215053338 /nfs/dbraw/zinc/05/33/38/215053338.db2.gz SQZDIGMRMWWTAH-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332036194 215081958 /nfs/dbraw/zinc/08/19/58/215081958.db2.gz IKOILHCQLLFLFX-HIFRSBDPSA-N 2 2 360.462 0.033 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332036194 215081960 /nfs/dbraw/zinc/08/19/60/215081960.db2.gz IKOILHCQLLFLFX-HIFRSBDPSA-N 2 2 360.462 0.033 20 0 FCADLP NC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264918174 210015881 /nfs/dbraw/zinc/01/58/81/210015881.db2.gz JFEUVFSWWKTNSN-UHFFFAOYSA-N 2 2 359.474 0.417 20 0 FCADLP NC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264918174 210015883 /nfs/dbraw/zinc/01/58/83/210015883.db2.gz JFEUVFSWWKTNSN-UHFFFAOYSA-N 2 2 359.474 0.417 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000332181560 215105764 /nfs/dbraw/zinc/10/57/64/215105764.db2.gz ZBYPUNVBCYZYFS-DOTOQJQBSA-N 2 2 359.474 0.447 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000332235869 215115056 /nfs/dbraw/zinc/11/50/56/215115056.db2.gz GNRWWNRZJDQOLI-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000332235869 215115060 /nfs/dbraw/zinc/11/50/60/215115060.db2.gz GNRWWNRZJDQOLI-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863423 210002671 /nfs/dbraw/zinc/00/26/71/210002671.db2.gz LGVVPIHWGYOVFM-YJBOKZPZSA-N 2 2 373.501 0.711 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863423 210002674 /nfs/dbraw/zinc/00/26/74/210002674.db2.gz LGVVPIHWGYOVFM-YJBOKZPZSA-N 2 2 373.501 0.711 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)c1 ZINC000332524760 215167953 /nfs/dbraw/zinc/16/79/53/215167953.db2.gz BJNBFCWAIZEDBC-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@H]1C ZINC000332551510 215177053 /nfs/dbraw/zinc/17/70/53/215177053.db2.gz PVBLXNZEDSLBCQ-IAGOWNOFSA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@H]1C ZINC000332551510 215177055 /nfs/dbraw/zinc/17/70/55/215177055.db2.gz PVBLXNZEDSLBCQ-IAGOWNOFSA-N 2 2 373.501 0.980 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332549056 215177233 /nfs/dbraw/zinc/17/72/33/215177233.db2.gz ONYXIGICQYKBHD-MRXNPFEDSA-N 2 2 359.474 0.529 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332549056 215177236 /nfs/dbraw/zinc/17/72/36/215177236.db2.gz ONYXIGICQYKBHD-MRXNPFEDSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000332845314 215213325 /nfs/dbraw/zinc/21/33/25/215213325.db2.gz GUHURVVDAUBDNC-ZACQAIPSSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000332823223 215213424 /nfs/dbraw/zinc/21/34/24/215213424.db2.gz GNPJQBSAWGHDST-SQNIBIBYSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000332823223 215213426 /nfs/dbraw/zinc/21/34/26/215213426.db2.gz GNPJQBSAWGHDST-SQNIBIBYSA-N 2 2 367.538 0.517 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000333087232 215234833 /nfs/dbraw/zinc/23/48/33/215234833.db2.gz BUTZWJIXRRAIEZ-CQSZACIVSA-N 2 2 367.475 0.106 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333300105 215259729 /nfs/dbraw/zinc/25/97/29/215259729.db2.gz IVJGJARFMXEXAS-KBXCAEBGSA-N 2 2 359.478 0.882 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333300105 215259733 /nfs/dbraw/zinc/25/97/33/215259733.db2.gz IVJGJARFMXEXAS-KBXCAEBGSA-N 2 2 359.478 0.882 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000333459786 215284274 /nfs/dbraw/zinc/28/42/74/215284274.db2.gz GGTLCKFFLGHDBR-VYDXJSESSA-N 2 2 362.478 0.385 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cn21 ZINC000333798343 215320030 /nfs/dbraw/zinc/32/00/30/215320030.db2.gz NQTKSBIJQJZVJH-MRXNPFEDSA-N 2 2 370.457 0.749 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000333853196 215324336 /nfs/dbraw/zinc/32/43/36/215324336.db2.gz QJQSDCFPSPEYJX-GDBMZVCRSA-N 2 2 351.495 0.452 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333834679 215323299 /nfs/dbraw/zinc/32/32/99/215323299.db2.gz LYPWWTMMKDGSPF-QGZVFWFLSA-N 2 2 366.506 0.748 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000333834679 215323304 /nfs/dbraw/zinc/32/33/04/215323304.db2.gz LYPWWTMMKDGSPF-QGZVFWFLSA-N 2 2 366.506 0.748 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333880176 215326990 /nfs/dbraw/zinc/32/69/90/215326990.db2.gz WAHFJKTUUHBKLK-APWZRJJASA-N 2 2 365.522 0.714 20 0 FCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000333970025 215334764 /nfs/dbraw/zinc/33/47/64/215334764.db2.gz VEDOVILIMONHLL-OAHLLOKOSA-N 2 2 362.478 0.677 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000334091188 215343360 /nfs/dbraw/zinc/34/33/60/215343360.db2.gz OBBZKCAHKMQFMP-QGZVFWFLSA-N 2 2 354.495 0.605 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000334091188 215343361 /nfs/dbraw/zinc/34/33/61/215343361.db2.gz OBBZKCAHKMQFMP-QGZVFWFLSA-N 2 2 354.495 0.605 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000334102899 215344101 /nfs/dbraw/zinc/34/41/01/215344101.db2.gz GOSBBAGXYDJMSS-HOTGVXAUSA-N 2 2 353.511 0.665 20 0 FCADLP O=C1NC(=O)C2(CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)N1 ZINC000285631987 213369953 /nfs/dbraw/zinc/36/99/53/213369953.db2.gz NJZCATNNLLEHPY-UHFFFAOYSA-N 2 2 371.485 0.873 20 0 FCADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCN(C)CC1 ZINC000360886211 215372474 /nfs/dbraw/zinc/37/24/74/215372474.db2.gz DYNHHCZPFJXBKN-MRXNPFEDSA-N 2 2 371.489 0.950 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285560923 213359300 /nfs/dbraw/zinc/35/93/00/213359300.db2.gz QSOCPDBKFUBKDE-UHFFFAOYSA-N 2 2 361.446 0.343 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285560923 213359302 /nfs/dbraw/zinc/35/93/02/213359302.db2.gz QSOCPDBKFUBKDE-UHFFFAOYSA-N 2 2 361.446 0.343 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000285517895 213351942 /nfs/dbraw/zinc/35/19/42/213351942.db2.gz OUQJQXWTEFCWEW-OAHLLOKOSA-N 2 2 363.462 0.690 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)CC1 ZINC000361215071 215385467 /nfs/dbraw/zinc/38/54/67/215385467.db2.gz MGIDJYAGTYWZJX-CQSZACIVSA-N 2 2 353.511 0.616 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)CC1 ZINC000361215070 215384921 /nfs/dbraw/zinc/38/49/21/215384921.db2.gz MGIDJYAGTYWZJX-AWEZNQCLSA-N 2 2 353.511 0.616 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)CC1 ZINC000361215070 215384927 /nfs/dbraw/zinc/38/49/27/215384927.db2.gz MGIDJYAGTYWZJX-AWEZNQCLSA-N 2 2 353.511 0.616 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)CC1 ZINC000361215071 215385469 /nfs/dbraw/zinc/38/54/69/215385469.db2.gz MGIDJYAGTYWZJX-CQSZACIVSA-N 2 2 353.511 0.616 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000284934139 213251935 /nfs/dbraw/zinc/25/19/35/213251935.db2.gz DNWVYBZTBOWVSI-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000284934139 213251937 /nfs/dbraw/zinc/25/19/37/213251937.db2.gz DNWVYBZTBOWVSI-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540427 213165217 /nfs/dbraw/zinc/16/52/17/213165217.db2.gz SIPCVESGMQOZKU-PBHICJAKSA-N 2 2 371.485 0.897 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540427 213165221 /nfs/dbraw/zinc/16/52/21/213165221.db2.gz SIPCVESGMQOZKU-PBHICJAKSA-N 2 2 371.485 0.897 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284535325 213163303 /nfs/dbraw/zinc/16/33/03/213163303.db2.gz SAJIKCQVJOWPBC-UHFFFAOYSA-N 2 2 359.474 0.851 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284535325 213163304 /nfs/dbraw/zinc/16/33/04/213163304.db2.gz SAJIKCQVJOWPBC-UHFFFAOYSA-N 2 2 359.474 0.851 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284464371 213145664 /nfs/dbraw/zinc/14/56/64/213145664.db2.gz NPHWVRKMHSINPD-UHFFFAOYSA-N 2 2 369.469 0.860 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000284484216 213149682 /nfs/dbraw/zinc/14/96/82/213149682.db2.gz RLVTXOJRKSANSD-HUUCEWRRSA-N 2 2 366.462 0.178 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000284409313 213132611 /nfs/dbraw/zinc/13/26/11/213132611.db2.gz BKNCXBQSVXVGBN-OAHLLOKOSA-N 2 2 359.474 0.497 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000284409313 213132614 /nfs/dbraw/zinc/13/26/14/213132614.db2.gz BKNCXBQSVXVGBN-OAHLLOKOSA-N 2 2 359.474 0.497 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000284150691 213085767 /nfs/dbraw/zinc/08/57/67/213085767.db2.gz VVVKRKICYYXCQL-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000284109411 213076887 /nfs/dbraw/zinc/07/68/87/213076887.db2.gz VQIKLCRMONMVGP-INIZCTEOSA-N 2 2 365.478 0.253 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000284064552 213067178 /nfs/dbraw/zinc/06/71/78/213067178.db2.gz UJYOEDKSBCOQMR-HNNXBMFYSA-N 2 2 373.457 0.645 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000284054400 213064772 /nfs/dbraw/zinc/06/47/72/213064772.db2.gz SAXRUBCQOREYIU-HNNXBMFYSA-N 2 2 371.441 0.131 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000283991954 213049465 /nfs/dbraw/zinc/04/94/65/213049465.db2.gz OQZSNZHJYGCXHZ-DOTOQJQBSA-N 2 2 355.442 0.779 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000283931648 213037884 /nfs/dbraw/zinc/03/78/84/213037884.db2.gz GSZUMZXGLFZHOE-HNNXBMFYSA-N 2 2 356.430 0.488 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000283892212 213028011 /nfs/dbraw/zinc/02/80/11/213028011.db2.gz LRDBIDYFYAJRSX-OAHLLOKOSA-N 2 2 365.478 0.347 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283845380 213018688 /nfs/dbraw/zinc/01/86/88/213018688.db2.gz BVKYHXFQQXYYFS-MRXNPFEDSA-N 2 2 355.442 0.817 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000283845380 213018691 /nfs/dbraw/zinc/01/86/91/213018691.db2.gz BVKYHXFQQXYYFS-MRXNPFEDSA-N 2 2 355.442 0.817 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000283786698 213008164 /nfs/dbraw/zinc/00/81/64/213008164.db2.gz GEBCVAOEADIDCA-CVEARBPZSA-N 2 2 365.478 0.347 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000283786698 213008169 /nfs/dbraw/zinc/00/81/69/213008169.db2.gz GEBCVAOEADIDCA-CVEARBPZSA-N 2 2 365.478 0.347 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000283757427 213004199 /nfs/dbraw/zinc/00/41/99/213004199.db2.gz AWOLHDBKOQRRMC-CABCVRRESA-N 2 2 351.451 0.005 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000283757427 213004203 /nfs/dbraw/zinc/00/42/03/213004203.db2.gz AWOLHDBKOQRRMC-CABCVRRESA-N 2 2 351.451 0.005 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH+](C)C ZINC000411594276 237014002 /nfs/dbraw/zinc/01/40/02/237014002.db2.gz ZKSZEJPYVOTDJR-HDICACEKSA-N 2 2 374.485 0.975 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH+](C)C ZINC000411594276 237014010 /nfs/dbraw/zinc/01/40/10/237014010.db2.gz ZKSZEJPYVOTDJR-HDICACEKSA-N 2 2 374.485 0.975 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000411926558 237110642 /nfs/dbraw/zinc/11/06/42/237110642.db2.gz VZAUAQAQLANIGA-ROUUACIJSA-N 2 2 363.458 0.539 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000411926558 237110652 /nfs/dbraw/zinc/11/06/52/237110652.db2.gz VZAUAQAQLANIGA-ROUUACIJSA-N 2 2 363.458 0.539 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885892 216046398 /nfs/dbraw/zinc/04/63/98/216046398.db2.gz QBHZMZKHKSRZMW-HOTGVXAUSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885892 216046402 /nfs/dbraw/zinc/04/64/02/216046402.db2.gz QBHZMZKHKSRZMW-HOTGVXAUSA-N 2 2 371.547 0.828 20 0 FCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000367148878 216082779 /nfs/dbraw/zinc/08/27/79/216082779.db2.gz NXRCILCDKYUNMD-LJQANCHMSA-N 2 2 358.486 0.600 20 0 FCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000367148878 216082781 /nfs/dbraw/zinc/08/27/81/216082781.db2.gz NXRCILCDKYUNMD-LJQANCHMSA-N 2 2 358.486 0.600 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367285595 216102487 /nfs/dbraw/zinc/10/24/87/216102487.db2.gz GNMHKLNAGODCQE-IAGOWNOFSA-N 2 2 352.523 0.582 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000367295942 216102954 /nfs/dbraw/zinc/10/29/54/216102954.db2.gz MZPBJGMMGYAZBA-WBVHZDCISA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000367295942 216102957 /nfs/dbraw/zinc/10/29/57/216102957.db2.gz MZPBJGMMGYAZBA-WBVHZDCISA-N 2 2 365.449 0.980 20 0 FCADLP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367285596 216103515 /nfs/dbraw/zinc/10/35/15/216103515.db2.gz GNMHKLNAGODCQE-IRXDYDNUSA-N 2 2 352.523 0.582 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000367584813 216139187 /nfs/dbraw/zinc/13/91/87/216139187.db2.gz BUUJGSUOUUZHMV-YESZJQIVSA-N 2 2 354.495 0.338 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1CCOC ZINC000368022206 216193371 /nfs/dbraw/zinc/19/33/71/216193371.db2.gz ALRZNAHRXGLMCU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368022206 216193374 /nfs/dbraw/zinc/19/33/74/216193374.db2.gz ALRZNAHRXGLMCU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022206 216193376 /nfs/dbraw/zinc/19/33/76/216193376.db2.gz ALRZNAHRXGLMCU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368022206 216193380 /nfs/dbraw/zinc/19/33/80/216193380.db2.gz ALRZNAHRXGLMCU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000246623693 209392768 /nfs/dbraw/zinc/39/27/68/209392768.db2.gz DGDJBLPAMRCPRA-OALUTQOASA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000246623693 209392771 /nfs/dbraw/zinc/39/27/71/209392771.db2.gz DGDJBLPAMRCPRA-OALUTQOASA-N 2 2 374.529 0.718 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000245438169 209367694 /nfs/dbraw/zinc/36/76/94/209367694.db2.gz FESHLBZNVYWEAL-ROUUACIJSA-N 2 2 350.507 0.921 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000245438169 209367699 /nfs/dbraw/zinc/36/76/99/209367699.db2.gz FESHLBZNVYWEAL-ROUUACIJSA-N 2 2 350.507 0.921 20 0 FCADLP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000238018477 209362695 /nfs/dbraw/zinc/36/26/95/209362695.db2.gz BVZPSKXJUYXRDR-LJQANCHMSA-N 2 2 360.502 0.689 20 0 FCADLP [NH3+][C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000238012900 209362727 /nfs/dbraw/zinc/36/27/27/209362727.db2.gz UOMKMYYSFYATBR-IBGZPJMESA-N 2 2 367.453 0.937 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237422673 209352666 /nfs/dbraw/zinc/35/26/66/209352666.db2.gz AQZDDANYGHIVOP-AEFFLSMTSA-N 2 2 358.486 0.884 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000237214778 209348923 /nfs/dbraw/zinc/34/89/23/209348923.db2.gz OLOZTAHXJRZCCA-CQSZACIVSA-N 2 2 368.503 0.094 20 0 FCADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000236827389 209343821 /nfs/dbraw/zinc/34/38/21/209343821.db2.gz SLXAECFLYMITFA-HOTGVXAUSA-N 2 2 355.504 0.948 20 0 FCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000236685856 209342907 /nfs/dbraw/zinc/34/29/07/209342907.db2.gz HHVBZMSVSFUZGV-YJBOKZPZSA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000236665511 209342643 /nfs/dbraw/zinc/34/26/43/209342643.db2.gz YEBNDPTWIXUMDU-INIZCTEOSA-N 2 2 367.515 0.702 20 0 FCADLP CC(C)(CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000236665511 209342646 /nfs/dbraw/zinc/34/26/46/209342646.db2.gz YEBNDPTWIXUMDU-INIZCTEOSA-N 2 2 367.515 0.702 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195328287 209337103 /nfs/dbraw/zinc/33/71/03/209337103.db2.gz QMIVADSPGVSWJQ-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)cn1 ZINC000194048191 209321934 /nfs/dbraw/zinc/32/19/34/209321934.db2.gz ZDTLYGJRBJHVRV-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)cn1 ZINC000194048191 209321937 /nfs/dbraw/zinc/32/19/37/209321937.db2.gz ZDTLYGJRBJHVRV-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000193694951 209318022 /nfs/dbraw/zinc/31/80/22/209318022.db2.gz RWOWXNIUUHHGLD-OAHLLOKOSA-N 2 2 356.430 0.727 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194957571 209330180 /nfs/dbraw/zinc/33/01/80/209330180.db2.gz BXQNSJXYPVFCRV-YESZJQIVSA-N 2 2 355.527 0.373 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)CC1 ZINC000193579109 209315259 /nfs/dbraw/zinc/31/52/59/209315259.db2.gz YOELDIIDQBFLAA-APWZRJJASA-N 2 2 358.486 0.753 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)cc1 ZINC000193314029 209312016 /nfs/dbraw/zinc/31/20/16/209312016.db2.gz XDQGASUGLUMBPZ-OAHLLOKOSA-N 2 2 362.474 0.697 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000368450494 216247923 /nfs/dbraw/zinc/24/79/23/216247923.db2.gz JPHYPSUTVUBYRA-SJORKVTESA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000368450494 216247925 /nfs/dbraw/zinc/24/79/25/216247925.db2.gz JPHYPSUTVUBYRA-SJORKVTESA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000368450494 216247928 /nfs/dbraw/zinc/24/79/28/216247928.db2.gz JPHYPSUTVUBYRA-SJORKVTESA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000368450494 216247931 /nfs/dbraw/zinc/24/79/31/216247931.db2.gz JPHYPSUTVUBYRA-SJORKVTESA-N 2 2 369.506 0.735 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000193072709 209308111 /nfs/dbraw/zinc/30/81/11/209308111.db2.gz PIHSQRMFPQQXPN-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000193072697 209308005 /nfs/dbraw/zinc/30/80/05/209308005.db2.gz PIHSQRMFPQQXPN-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000193072697 209308006 /nfs/dbraw/zinc/30/80/06/209308006.db2.gz PIHSQRMFPQQXPN-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@H]2CCC[N@@H+]2C)([NH+]2CCOCC2)C1 ZINC000192495402 209300265 /nfs/dbraw/zinc/30/02/65/209300265.db2.gz RKABTAXHHYGPOC-KLHKWILBSA-N 2 2 354.495 0.650 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@H]2CCC[N@H+]2C)([NH+]2CCOCC2)C1 ZINC000192495402 209300270 /nfs/dbraw/zinc/30/02/70/209300270.db2.gz RKABTAXHHYGPOC-KLHKWILBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000192111626 209296423 /nfs/dbraw/zinc/29/64/23/209296423.db2.gz IQXSWGCXWWROHZ-ZIAGYGMSSA-N 2 2 350.438 0.683 20 0 FCADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699933 216283881 /nfs/dbraw/zinc/28/38/81/216283881.db2.gz KZQPBXPADLBECA-SJLPKXTDSA-N 2 2 352.523 0.487 20 0 FCADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699933 216283883 /nfs/dbraw/zinc/28/38/83/216283883.db2.gz KZQPBXPADLBECA-SJLPKXTDSA-N 2 2 352.523 0.487 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369011387 216331116 /nfs/dbraw/zinc/33/11/16/216331116.db2.gz GLCMCMXGBCVGPI-QGZVFWFLSA-N 2 2 368.522 0.213 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000368981450 216329188 /nfs/dbraw/zinc/32/91/88/216329188.db2.gz UHXOFXLIZVHCTK-SQNIBIBYSA-N 2 2 368.522 0.584 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000369027171 216334747 /nfs/dbraw/zinc/33/47/47/216334747.db2.gz MMWSMQSVLCARBJ-SJORKVTESA-N 2 2 360.506 0.627 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)n1 ZINC000369027171 216334751 /nfs/dbraw/zinc/33/47/51/216334751.db2.gz MMWSMQSVLCARBJ-SJORKVTESA-N 2 2 360.506 0.627 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051710 216339965 /nfs/dbraw/zinc/33/99/65/216339965.db2.gz YNCYYYHXEKJCLV-MSOLQXFVSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051710 216339968 /nfs/dbraw/zinc/33/99/68/216339968.db2.gz YNCYYYHXEKJCLV-MSOLQXFVSA-N 2 2 359.474 0.772 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2nccn2-c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000191135758 209282408 /nfs/dbraw/zinc/28/24/08/209282408.db2.gz ZRNLVCALRLXHSD-QGZVFWFLSA-N 2 2 369.469 0.895 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369092301 216346476 /nfs/dbraw/zinc/34/64/76/216346476.db2.gz BBXBBYSDMKDAKX-RYQLBKOJSA-N 2 2 374.485 0.911 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369092301 216346479 /nfs/dbraw/zinc/34/64/79/216346479.db2.gz BBXBBYSDMKDAKX-RYQLBKOJSA-N 2 2 374.485 0.911 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369092301 216346482 /nfs/dbraw/zinc/34/64/82/216346482.db2.gz BBXBBYSDMKDAKX-RYQLBKOJSA-N 2 2 374.485 0.911 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369092301 216346484 /nfs/dbraw/zinc/34/64/84/216346484.db2.gz BBXBBYSDMKDAKX-RYQLBKOJSA-N 2 2 374.485 0.911 20 0 FCADLP C[NH+]1CCC2(CCCN(S(=O)(=O)CCC[NH+]3CCOCC3)C2)CC1 ZINC000369184523 216360463 /nfs/dbraw/zinc/36/04/63/216360463.db2.gz RCHBHTBFYBGMTI-UHFFFAOYSA-N 2 2 359.536 0.846 20 0 FCADLP CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369264051 216372369 /nfs/dbraw/zinc/37/23/69/216372369.db2.gz AGCGBIHECSZYCH-MRXNPFEDSA-N 2 2 365.522 0.665 20 0 FCADLP CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369264051 216372371 /nfs/dbraw/zinc/37/23/71/216372371.db2.gz AGCGBIHECSZYCH-MRXNPFEDSA-N 2 2 365.522 0.665 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc(S(N)(=O)=O)c3)C2)CC1 ZINC000369272793 216374188 /nfs/dbraw/zinc/37/41/88/216374188.db2.gz CVKDSUNSCFQNSU-GFCCVEGCSA-N 2 2 372.516 0.294 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csc(S(N)(=O)=O)c3)C2)CC1 ZINC000369272793 216374190 /nfs/dbraw/zinc/37/41/90/216374190.db2.gz CVKDSUNSCFQNSU-GFCCVEGCSA-N 2 2 372.516 0.294 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3sccc3-n3cnnn3)C2)CC1 ZINC000369277148 216375813 /nfs/dbraw/zinc/37/58/13/216375813.db2.gz KOLAWVMLOCNHCG-LBPRGKRZSA-N 2 2 361.475 0.622 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3sccc3-n3cnnn3)C2)CC1 ZINC000369277148 216375815 /nfs/dbraw/zinc/37/58/15/216375815.db2.gz KOLAWVMLOCNHCG-LBPRGKRZSA-N 2 2 361.475 0.622 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCOCC3(C)C)C2)CC1 ZINC000369372672 216391337 /nfs/dbraw/zinc/39/13/37/216391337.db2.gz KWPNZRYVXQOENR-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCOCC3(C)C)C2)CC1 ZINC000369372672 216391341 /nfs/dbraw/zinc/39/13/41/216391341.db2.gz KWPNZRYVXQOENR-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@@H+]3CCOCC3(C)C)C2)CC1 ZINC000369372672 216391343 /nfs/dbraw/zinc/39/13/43/216391343.db2.gz KWPNZRYVXQOENR-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@H+]3CCOCC3(C)C)C2)CC1 ZINC000369372672 216391347 /nfs/dbraw/zinc/39/13/47/216391347.db2.gz KWPNZRYVXQOENR-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374181 216391651 /nfs/dbraw/zinc/39/16/51/216391651.db2.gz RBQPRGFJORSVAK-ZIAGYGMSSA-N 2 2 353.511 0.757 20 0 FCADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374181 216391655 /nfs/dbraw/zinc/39/16/55/216391655.db2.gz RBQPRGFJORSVAK-ZIAGYGMSSA-N 2 2 353.511 0.757 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369402969 216398902 /nfs/dbraw/zinc/39/89/02/216398902.db2.gz SXRYYGCTCNBOHD-QZTJIDSGSA-N 2 2 366.554 0.044 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402969 216398905 /nfs/dbraw/zinc/39/89/05/216398905.db2.gz SXRYYGCTCNBOHD-QZTJIDSGSA-N 2 2 366.554 0.044 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000189717887 209258026 /nfs/dbraw/zinc/25/80/26/209258026.db2.gz IWUVHUSJPITPCJ-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCCO1 ZINC000277765616 212395366 /nfs/dbraw/zinc/39/53/66/212395366.db2.gz KVDRKTDHRPLBAO-OAHLLOKOSA-N 2 2 362.478 0.668 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCCO1 ZINC000277765616 212395368 /nfs/dbraw/zinc/39/53/68/212395368.db2.gz KVDRKTDHRPLBAO-OAHLLOKOSA-N 2 2 362.478 0.668 20 0 FCADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCCO1 ZINC000277765616 212395370 /nfs/dbraw/zinc/39/53/70/212395370.db2.gz KVDRKTDHRPLBAO-OAHLLOKOSA-N 2 2 362.478 0.668 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCCO1 ZINC000277765616 212395372 /nfs/dbraw/zinc/39/53/72/212395372.db2.gz KVDRKTDHRPLBAO-OAHLLOKOSA-N 2 2 362.478 0.668 20 0 FCADLP CCc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC000188957947 209242912 /nfs/dbraw/zinc/24/29/12/209242912.db2.gz BCIUFFPUZFFHTA-UHFFFAOYSA-N 2 2 364.494 0.405 20 0 FCADLP CCc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC000188957947 209242915 /nfs/dbraw/zinc/24/29/15/209242915.db2.gz BCIUFFPUZFFHTA-UHFFFAOYSA-N 2 2 364.494 0.405 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000277445803 212360175 /nfs/dbraw/zinc/36/01/75/212360175.db2.gz MXAJFRSLCRSOHM-HNNXBMFYSA-N 2 2 362.478 0.038 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000277445803 212360176 /nfs/dbraw/zinc/36/01/76/212360176.db2.gz MXAJFRSLCRSOHM-HNNXBMFYSA-N 2 2 362.478 0.038 20 0 FCADLP [NH3+]Cc1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000188153699 209223084 /nfs/dbraw/zinc/22/30/84/209223084.db2.gz VYNJRLZOCHCBFI-UHFFFAOYSA-N 2 2 356.426 0.813 20 0 FCADLP COC[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000187492585 209212209 /nfs/dbraw/zinc/21/22/09/209212209.db2.gz KUWRERRRCKKFKT-MAUKXSAKSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000187304978 209211470 /nfs/dbraw/zinc/21/14/70/209211470.db2.gz DFZPHYOTJVAJPS-IRXDYDNUSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000187304978 209211471 /nfs/dbraw/zinc/21/14/71/209211471.db2.gz DFZPHYOTJVAJPS-IRXDYDNUSA-N 2 2 370.538 0.830 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000187145238 209206923 /nfs/dbraw/zinc/20/69/23/209206923.db2.gz OPIZDLLOOYYPKD-GOSISDBHSA-N 2 2 360.458 0.620 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000187145238 209206927 /nfs/dbraw/zinc/20/69/27/209206927.db2.gz OPIZDLLOOYYPKD-GOSISDBHSA-N 2 2 360.458 0.620 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1O ZINC000186909299 209201268 /nfs/dbraw/zinc/20/12/68/209201268.db2.gz YSWOVRRDAUDDGO-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1O ZINC000186909299 209201271 /nfs/dbraw/zinc/20/12/71/209201271.db2.gz YSWOVRRDAUDDGO-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186653249 209193696 /nfs/dbraw/zinc/19/36/96/209193696.db2.gz RYPFLNUVCPZNMA-KRWDZBQOSA-N 2 2 353.426 0.909 20 0 FCADLP Cc1cc(O)cc(=O)n1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000276150681 212172026 /nfs/dbraw/zinc/17/20/26/212172026.db2.gz DZXARZBNVKQSDQ-UHFFFAOYSA-N 2 2 350.463 0.395 20 0 FCADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000372028795 216821465 /nfs/dbraw/zinc/82/14/65/216821465.db2.gz RXPGWMFPOHVNBL-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP CCN1C[C@@H](C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC000275675980 212071799 /nfs/dbraw/zinc/07/17/99/212071799.db2.gz LYIPYLJYSJVOAL-GJZGRUSLSA-N 2 2 359.474 0.759 20 0 FCADLP COCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000275416510 212022797 /nfs/dbraw/zinc/02/27/97/212022797.db2.gz GXNMRTRDVZKSNQ-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000275416510 212022803 /nfs/dbraw/zinc/02/28/03/212022803.db2.gz GXNMRTRDVZKSNQ-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000931482147 674116961 /nfs/dbraw/zinc/11/69/61/674116961.db2.gz PYPUEQMMXHESBR-UHFFFAOYSA-N 2 2 350.419 0.195 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000414813062 245326897 /nfs/dbraw/zinc/32/68/97/245326897.db2.gz LSBKKDRIKJNQTC-CABCVRRESA-N 2 2 362.474 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000414607927 245303421 /nfs/dbraw/zinc/30/34/21/245303421.db2.gz GYDANOVKPJQWBR-MRXNPFEDSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000414607927 245303427 /nfs/dbraw/zinc/30/34/27/245303427.db2.gz GYDANOVKPJQWBR-MRXNPFEDSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415079263 245345012 /nfs/dbraw/zinc/34/50/12/245345012.db2.gz JTWYLEHNFJBLJL-RHSMWYFYSA-N 2 2 360.458 0.968 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415153006 245352802 /nfs/dbraw/zinc/35/28/02/245352802.db2.gz IEQPEQBTPFCRDX-HNNXBMFYSA-N 2 2 358.446 0.987 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000373465445 217020710 /nfs/dbraw/zinc/02/07/10/217020710.db2.gz LCKJBXJHCDHWMZ-IBGZPJMESA-N 2 2 364.534 0.870 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000373465445 217020713 /nfs/dbraw/zinc/02/07/13/217020713.db2.gz LCKJBXJHCDHWMZ-IBGZPJMESA-N 2 2 364.534 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000185195984 209174320 /nfs/dbraw/zinc/17/43/20/209174320.db2.gz RBNFEWJUPZYOGA-OAHLLOKOSA-N 2 2 356.492 0.726 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000373505376 217025987 /nfs/dbraw/zinc/02/59/87/217025987.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000373505376 217025989 /nfs/dbraw/zinc/02/59/89/217025989.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373505376 217025990 /nfs/dbraw/zinc/02/59/90/217025990.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373505376 217025993 /nfs/dbraw/zinc/02/59/93/217025993.db2.gz SLSVHFXOYUGUAF-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP C[N@H+](CCOCCO)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000373856754 217067757 /nfs/dbraw/zinc/06/77/57/217067757.db2.gz VMBOVMZHQVTJPW-UHFFFAOYSA-N 2 2 357.495 0.078 20 0 FCADLP C[N@@H+](CCOCCO)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000373856754 217067761 /nfs/dbraw/zinc/06/77/61/217067761.db2.gz VMBOVMZHQVTJPW-UHFFFAOYSA-N 2 2 357.495 0.078 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933202 217075993 /nfs/dbraw/zinc/07/59/93/217075993.db2.gz IDAGERVLUFZNDE-AWEZNQCLSA-N 2 2 366.487 0.232 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933202 217075995 /nfs/dbraw/zinc/07/59/95/217075995.db2.gz IDAGERVLUFZNDE-AWEZNQCLSA-N 2 2 366.487 0.232 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000374753242 217168000 /nfs/dbraw/zinc/16/80/00/217168000.db2.gz ZBWLLJMBUQNJOH-CVEARBPZSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000182870720 209137807 /nfs/dbraw/zinc/13/78/07/209137807.db2.gz AIGXQWYQZHOTRY-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP Cc1nnc(COCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000375745508 217308125 /nfs/dbraw/zinc/30/81/25/217308125.db2.gz QTJVJJPEPRXTHW-CYBMUJFWSA-N 2 2 353.492 0.648 20 0 FCADLP Cc1nnc(COCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000375745508 217308127 /nfs/dbraw/zinc/30/81/27/217308127.db2.gz QTJVJJPEPRXTHW-CYBMUJFWSA-N 2 2 353.492 0.648 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000375802013 217319304 /nfs/dbraw/zinc/31/93/04/217319304.db2.gz PTZVSTXSRZFDPL-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000376017360 217345385 /nfs/dbraw/zinc/34/53/85/217345385.db2.gz CQXKPGBTZAVCQO-FGTMMUONSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000376017360 217345387 /nfs/dbraw/zinc/34/53/87/217345387.db2.gz CQXKPGBTZAVCQO-FGTMMUONSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000376017365 217345416 /nfs/dbraw/zinc/34/54/16/217345416.db2.gz CQXKPGBTZAVCQO-SQNIBIBYSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000376017365 217345418 /nfs/dbraw/zinc/34/54/18/217345418.db2.gz CQXKPGBTZAVCQO-SQNIBIBYSA-N 2 2 351.491 0.687 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434749 217399258 /nfs/dbraw/zinc/39/92/58/217399258.db2.gz JGUCBDZDYNCVLJ-IRXDYDNUSA-N 2 2 367.538 0.517 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCO1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418755068 245823086 /nfs/dbraw/zinc/82/30/86/245823086.db2.gz BLIYVAFJAASLGG-MRXNPFEDSA-N 2 2 352.435 0.112 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419111505 245987608 /nfs/dbraw/zinc/98/76/08/245987608.db2.gz DFCITWOKGCWDEP-BZUAXINKSA-N 2 2 354.495 0.045 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000419112476 245988869 /nfs/dbraw/zinc/98/88/69/245988869.db2.gz FVOZCYLDTZSJKZ-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419128168 246003465 /nfs/dbraw/zinc/00/34/65/246003465.db2.gz VKBQHBCAZRZZJC-HZPDHXFCSA-N 2 2 369.469 0.799 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000419157631 246021965 /nfs/dbraw/zinc/02/19/65/246021965.db2.gz VMORPPAGKCMRKX-INIZCTEOSA-N 2 2 355.442 0.596 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000419157632 246022600 /nfs/dbraw/zinc/02/26/00/246022600.db2.gz VMORPPAGKCMRKX-MRXNPFEDSA-N 2 2 355.442 0.596 20 0 FCADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000419150208 246018365 /nfs/dbraw/zinc/01/83/65/246018365.db2.gz KXUUHCYHIDTVPA-UHFFFAOYSA-N 2 2 355.442 0.564 20 0 FCADLP CO[C@@H](CC(C)C)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000419178583 246037504 /nfs/dbraw/zinc/03/75/04/246037504.db2.gz CAQVNWMSDCGDHU-INIZCTEOSA-N 2 2 362.540 0.157 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)c[nH+]2)CC1 ZINC000419204067 246050372 /nfs/dbraw/zinc/05/03/72/246050372.db2.gz IPISGKSXZYTZBV-UHFFFAOYSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419232060 246070956 /nfs/dbraw/zinc/07/09/56/246070956.db2.gz KENPBTIKYBBCDH-ZDUSSCGKSA-N 2 2 350.488 0.433 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419232060 246070962 /nfs/dbraw/zinc/07/09/62/246070962.db2.gz KENPBTIKYBBCDH-ZDUSSCGKSA-N 2 2 350.488 0.433 20 0 FCADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419303064 246091792 /nfs/dbraw/zinc/09/17/92/246091792.db2.gz HIQXZWRMUXLGTL-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419308050 246093968 /nfs/dbraw/zinc/09/39/68/246093968.db2.gz OLXOVTUIAJASCI-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)[nH+]c1 ZINC000419300620 246090488 /nfs/dbraw/zinc/09/04/88/246090488.db2.gz MHKYSYHDTVNKBS-LSDHHAIUSA-N 2 2 359.474 0.684 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419304164 246090500 /nfs/dbraw/zinc/09/05/00/246090500.db2.gz JGLACFFUHRGPLM-IRXDYDNUSA-N 2 2 371.485 0.756 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419398200 246134164 /nfs/dbraw/zinc/13/41/64/246134164.db2.gz YZPJYZQBVCZSAD-HUUCEWRRSA-N 2 2 368.865 0.245 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419398200 246134166 /nfs/dbraw/zinc/13/41/66/246134166.db2.gz YZPJYZQBVCZSAD-HUUCEWRRSA-N 2 2 368.865 0.245 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419450712 246169292 /nfs/dbraw/zinc/16/92/92/246169292.db2.gz LZEGNJDCTMXYFT-IAGOWNOFSA-N 2 2 373.501 0.134 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508033 246186389 /nfs/dbraw/zinc/18/63/89/246186389.db2.gz QFBLSBTYXYAHII-IRXDYDNUSA-N 2 2 373.501 0.134 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000419682662 246247472 /nfs/dbraw/zinc/24/74/72/246247472.db2.gz JTGJHGUDVWAOBL-JKSUJKDBSA-N 2 2 362.474 0.199 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000419686474 246250160 /nfs/dbraw/zinc/25/01/60/246250160.db2.gz OGKRVYCVUVDMCW-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000419686475 246250594 /nfs/dbraw/zinc/25/05/94/246250594.db2.gz OGKRVYCVUVDMCW-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419736444 246276195 /nfs/dbraw/zinc/27/61/95/246276195.db2.gz WMQPUUOYYGNEKA-IRXDYDNUSA-N 2 2 371.485 0.767 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419860571 246331115 /nfs/dbraw/zinc/33/11/15/246331115.db2.gz ONLFAHOUPXVNIG-GOSISDBHSA-N 2 2 358.486 0.755 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419922070 246371544 /nfs/dbraw/zinc/37/15/44/246371544.db2.gz OIZJQBGNDXODBI-GINYUPMKSA-N 2 2 356.470 0.570 20 0 FCADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419881625 246348114 /nfs/dbraw/zinc/34/81/14/246348114.db2.gz LIYTZMHWMNNYNL-CQSZACIVSA-N 2 2 355.442 0.986 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000419887871 246352542 /nfs/dbraw/zinc/35/25/42/246352542.db2.gz JNYSNHIXMDXBBB-UHFFFAOYSA-N 2 2 361.490 0.872 20 0 FCADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000419894952 246355412 /nfs/dbraw/zinc/35/54/12/246355412.db2.gz WQCPKNCPFNIYHR-LSDHHAIUSA-N 2 2 373.457 0.140 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419894620 246355980 /nfs/dbraw/zinc/35/59/80/246355980.db2.gz NWFHVXDTCDHLGI-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419894620 246355985 /nfs/dbraw/zinc/35/59/85/246355985.db2.gz NWFHVXDTCDHLGI-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419903667 246359411 /nfs/dbraw/zinc/35/94/11/246359411.db2.gz VHDHAFAWTNKFED-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419905785 246362267 /nfs/dbraw/zinc/36/22/67/246362267.db2.gz WPEVGRZSIAQFEU-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419943131 246381254 /nfs/dbraw/zinc/38/12/54/246381254.db2.gz GWCUNCNTBGGORQ-UONOGXRCSA-N 2 2 363.462 0.099 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419947687 246384137 /nfs/dbraw/zinc/38/41/37/246384137.db2.gz DCVHJMROOSPMIM-AWEZNQCLSA-N 2 2 352.504 0.882 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000419974249 246395171 /nfs/dbraw/zinc/39/51/71/246395171.db2.gz JHGFEMFSXGOYGO-SJORKVTESA-N 2 2 366.506 0.206 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000422984758 246941498 /nfs/dbraw/zinc/94/14/98/246941498.db2.gz ZCGSTXIIWCUHER-INIZCTEOSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000423417155 247022439 /nfs/dbraw/zinc/02/24/39/247022439.db2.gz RWQAPQAFOFKYIO-PBHICJAKSA-N 2 2 360.458 0.369 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423307540 247002110 /nfs/dbraw/zinc/00/21/10/247002110.db2.gz HABFSCYONFOLPC-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423307540 247002117 /nfs/dbraw/zinc/00/21/17/247002117.db2.gz HABFSCYONFOLPC-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423599543 247068943 /nfs/dbraw/zinc/06/89/43/247068943.db2.gz YADHVPFTGBAAGC-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423599543 247068946 /nfs/dbraw/zinc/06/89/46/247068946.db2.gz YADHVPFTGBAAGC-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP COCC[NH2+]CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000423485521 247035564 /nfs/dbraw/zinc/03/55/64/247035564.db2.gz AVHQVRHTFPRUNS-UHFFFAOYSA-N 2 2 351.447 0.414 20 0 FCADLP COCC[NH2+]CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000423485521 247035568 /nfs/dbraw/zinc/03/55/68/247035568.db2.gz AVHQVRHTFPRUNS-UHFFFAOYSA-N 2 2 351.447 0.414 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000423529037 247042526 /nfs/dbraw/zinc/04/25/26/247042526.db2.gz UYDGJGJQYOEPBF-KRWDZBQOSA-N 2 2 360.458 0.909 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000423616516 247077372 /nfs/dbraw/zinc/07/73/72/247077372.db2.gz SDQCZXCBUGHOCQ-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423619490 247078857 /nfs/dbraw/zinc/07/88/57/247078857.db2.gz YPWUBJXGBCSHKH-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423619490 247078862 /nfs/dbraw/zinc/07/88/62/247078862.db2.gz YPWUBJXGBCSHKH-RYRKJORJSA-N 2 2 358.486 0.915 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000423621807 247079788 /nfs/dbraw/zinc/07/97/88/247079788.db2.gz YGZNOOHMEMYTLM-INIZCTEOSA-N 2 2 350.438 0.755 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000423621807 247079792 /nfs/dbraw/zinc/07/97/92/247079792.db2.gz YGZNOOHMEMYTLM-INIZCTEOSA-N 2 2 350.438 0.755 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000423695344 247114398 /nfs/dbraw/zinc/11/43/98/247114398.db2.gz BRJGSZSUTXUGBS-HOTGVXAUSA-N 2 2 361.490 0.802 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000423637168 247086123 /nfs/dbraw/zinc/08/61/23/247086123.db2.gz GVURKCUGWAWSPT-IRXDYDNUSA-N 2 2 359.474 0.353 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC[N@H+]1C ZINC000423637168 247086124 /nfs/dbraw/zinc/08/61/24/247086124.db2.gz GVURKCUGWAWSPT-IRXDYDNUSA-N 2 2 359.474 0.353 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000423641943 247087724 /nfs/dbraw/zinc/08/77/24/247087724.db2.gz JOKNHGJKLGVKDI-CQSZACIVSA-N 2 2 359.474 0.746 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423660319 247098529 /nfs/dbraw/zinc/09/85/29/247098529.db2.gz CGSYGYVMGJFAQJ-IRXDYDNUSA-N 2 2 358.486 0.835 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423760010 247139727 /nfs/dbraw/zinc/13/97/27/247139727.db2.gz PRGPJIISBZVGDA-HZPDHXFCSA-N 2 2 355.479 0.346 20 0 FCADLP [NH3+]CC1(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000423758203 247140452 /nfs/dbraw/zinc/14/04/52/247140452.db2.gz MJUWYSWCRAVFNK-HNNXBMFYSA-N 2 2 374.489 0.527 20 0 FCADLP [NH3+]CC1(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000423758203 247140457 /nfs/dbraw/zinc/14/04/57/247140457.db2.gz MJUWYSWCRAVFNK-HNNXBMFYSA-N 2 2 374.489 0.527 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)c1 ZINC000423809119 247141915 /nfs/dbraw/zinc/14/19/15/247141915.db2.gz LWGNLLXJFDHLKV-INIZCTEOSA-N 2 2 351.472 0.881 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)c1 ZINC000423809120 247142163 /nfs/dbraw/zinc/14/21/63/247142163.db2.gz LWGNLLXJFDHLKV-MRXNPFEDSA-N 2 2 351.472 0.881 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423828056 247143703 /nfs/dbraw/zinc/14/37/03/247143703.db2.gz NWORAWXMILMIAR-BLLLJJGKSA-N 2 2 358.364 0.430 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423828056 247143706 /nfs/dbraw/zinc/14/37/06/247143706.db2.gz NWORAWXMILMIAR-BLLLJJGKSA-N 2 2 358.364 0.430 20 0 FCADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423704038 247117983 /nfs/dbraw/zinc/11/79/83/247117983.db2.gz DFGDLWUGZGJZJW-UHFFFAOYSA-N 2 2 352.866 0.710 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423715892 247122117 /nfs/dbraw/zinc/12/21/17/247122117.db2.gz HXTTVAZZFWWUJY-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CCCS(=O)(=O)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018483 247159812 /nfs/dbraw/zinc/15/98/12/247159812.db2.gz JBKUSSORSOVCCZ-UHFFFAOYSA-N 2 2 367.515 0.921 20 0 FCADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423734043 247133327 /nfs/dbraw/zinc/13/33/27/247133327.db2.gz ANKBLTDRUKLICC-WMLDXEAASA-N 2 2 362.449 0.899 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000423742968 247134182 /nfs/dbraw/zinc/13/41/82/247134182.db2.gz LLMHVCDANNOOGO-AEFFLSMTSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423742851 247134599 /nfs/dbraw/zinc/13/45/99/247134599.db2.gz LEANWBBCGHFGGZ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423742851 247134606 /nfs/dbraw/zinc/13/46/06/247134606.db2.gz LEANWBBCGHFGGZ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[C@@H]1C[NH3+] ZINC000423746152 247136513 /nfs/dbraw/zinc/13/65/13/247136513.db2.gz XRSGROUWRFXLHD-BZUAXINKSA-N 2 2 361.490 0.787 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423750354 247137172 /nfs/dbraw/zinc/13/71/72/247137172.db2.gz USWYQUYGYJQHFT-HNNXBMFYSA-N 2 2 364.515 0.993 20 0 FCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000424189169 247176334 /nfs/dbraw/zinc/17/63/34/247176334.db2.gz LQMWVRJGNKDKMN-RCCFBDPRSA-N 2 2 356.470 0.669 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCc1cn3ccccc3[nH+]1)CC[NH2+]CC2 ZINC000424513744 247246550 /nfs/dbraw/zinc/24/65/50/247246550.db2.gz YDWQZVMJHBDPQR-CQSZACIVSA-N 2 2 355.442 0.941 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000424465030 247227448 /nfs/dbraw/zinc/22/74/48/247227448.db2.gz JFFVGESAKULCRV-YOEHRIQHSA-N 2 2 360.458 0.714 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000424465720 247229551 /nfs/dbraw/zinc/22/95/51/247229551.db2.gz KGOBFPSKFJBZPG-GASCZTMLSA-N 2 2 362.474 0.960 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000424465720 247229555 /nfs/dbraw/zinc/22/95/55/247229555.db2.gz KGOBFPSKFJBZPG-GASCZTMLSA-N 2 2 362.474 0.960 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000425451990 247342729 /nfs/dbraw/zinc/34/27/29/247342729.db2.gz MYKOORLFTDKOHP-JKSUJKDBSA-N 2 2 356.511 0.848 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000425393623 247332612 /nfs/dbraw/zinc/33/26/12/247332612.db2.gz DKXPSPIWGUZJBO-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000425406673 247336667 /nfs/dbraw/zinc/33/66/67/247336667.db2.gz UELBQQIYQBLACK-OAQYLSRUSA-N 2 2 370.497 0.885 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000425406673 247336670 /nfs/dbraw/zinc/33/66/70/247336670.db2.gz UELBQQIYQBLACK-OAQYLSRUSA-N 2 2 370.497 0.885 20 0 FCADLP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425334767 247325260 /nfs/dbraw/zinc/32/52/60/247325260.db2.gz HEWFPRWADFSGNH-UHFFFAOYSA-N 2 2 374.492 0.025 20 0 FCADLP CCOC1CC(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)(N2CCOCC2)C1 ZINC000436480470 248041710 /nfs/dbraw/zinc/04/17/10/248041710.db2.gz CPDUASXRRMIKHP-UHFFFAOYSA-N 2 2 351.495 0.846 20 0 FCADLP CCn1cc[nH+]c1CN(CCNS(=O)(=O)CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691521 248010766 /nfs/dbraw/zinc/01/07/66/248010766.db2.gz GQGMLABLDIRJNS-OAHLLOKOSA-N 2 2 369.535 0.786 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288341 248118020 /nfs/dbraw/zinc/11/80/20/248118020.db2.gz UEVMYJZZYZDGRW-CYBMUJFWSA-N 2 2 372.457 0.921 20 0 FCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439288341 248118022 /nfs/dbraw/zinc/11/80/22/248118022.db2.gz UEVMYJZZYZDGRW-CYBMUJFWSA-N 2 2 372.457 0.921 20 0 FCADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000440956985 248226360 /nfs/dbraw/zinc/22/63/60/248226360.db2.gz LQTTXEPXTDCQKC-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000440956985 248226363 /nfs/dbraw/zinc/22/63/63/248226363.db2.gz LQTTXEPXTDCQKC-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441259807 248245287 /nfs/dbraw/zinc/24/52/87/248245287.db2.gz VEBUVGOUSRQYRS-YESZJQIVSA-N 2 2 367.490 0.582 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441259807 248245290 /nfs/dbraw/zinc/24/52/90/248245290.db2.gz VEBUVGOUSRQYRS-YESZJQIVSA-N 2 2 367.490 0.582 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253164 248245796 /nfs/dbraw/zinc/24/57/96/248245796.db2.gz AKXJDFIVTYXRNM-RCCFBDPRSA-N 3 2 352.523 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253164 248245799 /nfs/dbraw/zinc/24/57/99/248245799.db2.gz AKXJDFIVTYXRNM-RCCFBDPRSA-N 3 2 352.523 0.770 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCCCN1CCCC1=O ZINC000441451714 248253527 /nfs/dbraw/zinc/25/35/27/248253527.db2.gz NVXOAHIHOOEONQ-KRWDZBQOSA-N 2 2 350.507 0.923 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCCCN1CCCC1=O ZINC000441451714 248253528 /nfs/dbraw/zinc/25/35/28/248253528.db2.gz NVXOAHIHOOEONQ-KRWDZBQOSA-N 2 2 350.507 0.923 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756844 248295188 /nfs/dbraw/zinc/29/51/88/248295188.db2.gz KWQDLIANADPOEK-PBWFPOADSA-N 2 2 352.460 0.487 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756844 248295190 /nfs/dbraw/zinc/29/51/90/248295190.db2.gz KWQDLIANADPOEK-PBWFPOADSA-N 2 2 352.460 0.487 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000444179766 248349748 /nfs/dbraw/zinc/34/97/48/248349748.db2.gz FTZPAPGNQNGMFX-PXNSSMCTSA-N 2 2 372.469 0.687 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1CCO ZINC000453689965 249355561 /nfs/dbraw/zinc/35/55/61/249355561.db2.gz AGUDDYNWISICSR-KBXCAEBGSA-N 2 2 374.485 0.699 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1CCO ZINC000453689965 249355566 /nfs/dbraw/zinc/35/55/66/249355566.db2.gz AGUDDYNWISICSR-KBXCAEBGSA-N 2 2 374.485 0.699 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000453805827 249370254 /nfs/dbraw/zinc/37/02/54/249370254.db2.gz LVJLOIFBPMXCRO-KRWDZBQOSA-N 2 2 371.441 0.774 20 0 FCADLP Nc1cc(N)[nH+]c(SCCOCCSc2nc(N)cc(N)[nH+]2)n1 ZINC000270629086 211238052 /nfs/dbraw/zinc/23/80/52/211238052.db2.gz UQEXRVXNTGLATQ-UHFFFAOYSA-N 2 2 354.465 0.496 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270633689 211237028 /nfs/dbraw/zinc/23/70/28/211237028.db2.gz JOJRSCYVHLMKLB-UHFFFAOYSA-N 2 2 373.413 0.681 20 0 FCADLP CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1)C1CC1 ZINC000469989761 250019625 /nfs/dbraw/zinc/01/96/25/250019625.db2.gz GVHWJJQMDAGZPH-CYBMUJFWSA-N 2 2 365.503 0.945 20 0 FCADLP CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1)C1CC1 ZINC000469989761 250019630 /nfs/dbraw/zinc/01/96/30/250019630.db2.gz GVHWJJQMDAGZPH-CYBMUJFWSA-N 2 2 365.503 0.945 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269909876 211116293 /nfs/dbraw/zinc/11/62/93/211116293.db2.gz JGQXILXBOOQYQQ-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269909876 211116299 /nfs/dbraw/zinc/11/62/99/211116299.db2.gz JGQXILXBOOQYQQ-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000473922947 250257864 /nfs/dbraw/zinc/25/78/64/250257864.db2.gz XSUGBLSQIILGJN-UHFFFAOYSA-N 2 2 357.568 0.751 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000473922947 250257868 /nfs/dbraw/zinc/25/78/68/250257868.db2.gz XSUGBLSQIILGJN-UHFFFAOYSA-N 2 2 357.568 0.751 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000481878641 250370780 /nfs/dbraw/zinc/37/07/80/250370780.db2.gz HFSNUBZWXNCELL-QZWWFDLISA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000481878641 250370784 /nfs/dbraw/zinc/37/07/84/250370784.db2.gz HFSNUBZWXNCELL-QZWWFDLISA-N 2 2 368.522 0.448 20 0 FCADLP CCC1(CC)NC(=O)N(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000482031168 250374542 /nfs/dbraw/zinc/37/45/42/250374542.db2.gz IDUSOANIGDCTSX-UHFFFAOYSA-N 2 2 367.494 0.239 20 0 FCADLP C[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+]1CCSCC1 ZINC000269650003 211033469 /nfs/dbraw/zinc/03/34/69/211033469.db2.gz BKBLMQGRZJGFEO-CQSZACIVSA-N 2 2 350.488 0.972 20 0 FCADLP C[C@@](O)(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000073865674 208049729 /nfs/dbraw/zinc/04/97/29/208049729.db2.gz CTZBDHHSLSHUIJ-LJQANCHMSA-N 2 2 373.457 0.755 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000074064697 208051555 /nfs/dbraw/zinc/05/15/55/208051555.db2.gz LCYCOIDGZSNVSQ-GOSISDBHSA-N 2 2 368.522 0.994 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC000066879021 208019978 /nfs/dbraw/zinc/01/99/78/208019978.db2.gz SXDAINMCQCQZRI-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000068414965 208028094 /nfs/dbraw/zinc/02/80/94/208028094.db2.gz SLGWUUHFKZHOQJ-IEBWSBKVSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000069260842 208031980 /nfs/dbraw/zinc/03/19/80/208031980.db2.gz APIKSEFSDUNKSR-QGZVFWFLSA-N 2 2 374.485 0.867 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000069246599 208033943 /nfs/dbraw/zinc/03/39/43/208033943.db2.gz BTCLFDOLPSLUMV-MRXNPFEDSA-N 2 2 368.547 0.627 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000069246599 208033949 /nfs/dbraw/zinc/03/39/49/208033949.db2.gz BTCLFDOLPSLUMV-MRXNPFEDSA-N 2 2 368.547 0.627 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000081528858 208100134 /nfs/dbraw/zinc/10/01/34/208100134.db2.gz JFJZIBZOUQJQJQ-CABCVRRESA-N 2 2 370.519 0.685 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077344922 208072309 /nfs/dbraw/zinc/07/23/09/208072309.db2.gz OUSUDCAADOLZKU-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003388 208126610 /nfs/dbraw/zinc/12/66/10/208126610.db2.gz YPGDUZNCRJOCAS-ZIAGYGMSSA-N 2 2 351.451 0.535 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003388 208126616 /nfs/dbraw/zinc/12/66/16/208126616.db2.gz YPGDUZNCRJOCAS-ZIAGYGMSSA-N 2 2 351.451 0.535 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000090003724 208127988 /nfs/dbraw/zinc/12/79/88/208127988.db2.gz MXBGMVZIZOCORG-GFCCVEGCSA-N 2 2 374.445 0.010 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000090003724 208127996 /nfs/dbraw/zinc/12/79/96/208127996.db2.gz MXBGMVZIZOCORG-GFCCVEGCSA-N 2 2 374.445 0.010 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000083692767 208107751 /nfs/dbraw/zinc/10/77/51/208107751.db2.gz CJOPNBWKNLGNCO-ZWKOTPCHSA-N 2 2 364.490 0.624 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087719 208181410 /nfs/dbraw/zinc/18/14/10/208181410.db2.gz DVLXUAQKHUCMBH-MRXNPFEDSA-N 2 2 361.490 0.580 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087719 208181413 /nfs/dbraw/zinc/18/14/13/208181413.db2.gz DVLXUAQKHUCMBH-MRXNPFEDSA-N 2 2 361.490 0.580 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC000105124557 208193131 /nfs/dbraw/zinc/19/31/31/208193131.db2.gz CTVWPEOWOPNMLP-TVFCKZIOSA-N 2 2 368.522 0.990 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000105211080 208193445 /nfs/dbraw/zinc/19/34/45/208193445.db2.gz SBXBSUURLOFDAG-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000106514612 208226133 /nfs/dbraw/zinc/22/61/33/208226133.db2.gz LCYKJSUHZTTXGJ-KRWDZBQOSA-N 2 2 353.511 0.130 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000106526817 208226193 /nfs/dbraw/zinc/22/61/93/208226193.db2.gz NLTMLWZYUSPSGN-QGZVFWFLSA-N 2 2 374.533 0.981 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000106526817 208226198 /nfs/dbraw/zinc/22/61/98/208226198.db2.gz NLTMLWZYUSPSGN-QGZVFWFLSA-N 2 2 374.533 0.981 20 0 FCADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000108368253 208246649 /nfs/dbraw/zinc/24/66/49/208246649.db2.gz ATAXNPPQEOJSFW-MRXNPFEDSA-N 2 2 360.506 0.976 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109795140 208261614 /nfs/dbraw/zinc/26/16/14/208261614.db2.gz IOACNXIHVZNJGI-UHFFFAOYSA-N 2 2 371.441 0.701 20 0 FCADLP NC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000111687121 208285612 /nfs/dbraw/zinc/28/56/12/208285612.db2.gz WXPRZCBZPSGESK-UHFFFAOYSA-N 2 2 373.501 0.985 20 0 FCADLP NC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000111687121 208285615 /nfs/dbraw/zinc/28/56/15/208285615.db2.gz WXPRZCBZPSGESK-UHFFFAOYSA-N 2 2 373.501 0.985 20 0 FCADLP CC(C)[C@H]1C(=O)NCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114949607 208319123 /nfs/dbraw/zinc/31/91/23/208319123.db2.gz FFGROUJFENWWRY-KRWDZBQOSA-N 2 2 365.522 0.711 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119482192 208361283 /nfs/dbraw/zinc/36/12/83/208361283.db2.gz ZYJSLNIIZDUXBO-JTUUTPGSSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119482192 208361290 /nfs/dbraw/zinc/36/12/90/208361290.db2.gz ZYJSLNIIZDUXBO-JTUUTPGSSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119482192 208361293 /nfs/dbraw/zinc/36/12/93/208361293.db2.gz ZYJSLNIIZDUXBO-JTUUTPGSSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119482192 208361298 /nfs/dbraw/zinc/36/12/98/208361298.db2.gz ZYJSLNIIZDUXBO-JTUUTPGSSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748250 210396210 /nfs/dbraw/zinc/39/62/10/210396210.db2.gz BOEUGRLESNGRSP-GDBMZVCRSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748250 210396214 /nfs/dbraw/zinc/39/62/14/210396214.db2.gz BOEUGRLESNGRSP-GDBMZVCRSA-N 2 2 354.520 0.833 20 0 FCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000176911830 209012101 /nfs/dbraw/zinc/01/21/01/209012101.db2.gz YDGPJDJYAXQYRM-QGZVFWFLSA-N 2 2 363.506 0.677 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000177568966 209027214 /nfs/dbraw/zinc/02/72/14/209027214.db2.gz JSTBGTZESUYVJO-HNNXBMFYSA-N 2 2 370.457 0.563 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2C1 ZINC000178097483 209043073 /nfs/dbraw/zinc/04/30/73/209043073.db2.gz DUFZGZNVZGUDOC-HNNXBMFYSA-N 2 2 372.469 0.751 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2C1 ZINC000178097483 209043075 /nfs/dbraw/zinc/04/30/75/209043075.db2.gz DUFZGZNVZGUDOC-HNNXBMFYSA-N 2 2 372.469 0.751 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000178819215 209061893 /nfs/dbraw/zinc/06/18/93/209061893.db2.gz ULJXFOYIBORZSZ-DLBZAZTESA-N 2 2 360.458 0.126 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000178884279 209064274 /nfs/dbraw/zinc/06/42/74/209064274.db2.gz RADIVOFVHLCPRJ-RBUKOAKNSA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000178884279 209064277 /nfs/dbraw/zinc/06/42/77/209064277.db2.gz RADIVOFVHLCPRJ-RBUKOAKNSA-N 2 2 360.502 0.940 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+](C)C1 ZINC000413038053 533480557 /nfs/dbraw/zinc/48/05/57/533480557.db2.gz DAADOHAULWMWJH-KBPBESRZSA-N 2 2 352.435 0.629 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+](C)C1 ZINC000413038053 533480562 /nfs/dbraw/zinc/48/05/62/533480562.db2.gz DAADOHAULWMWJH-KBPBESRZSA-N 2 2 352.435 0.629 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+](C)C1 ZINC000413397473 533481263 /nfs/dbraw/zinc/48/12/63/533481263.db2.gz FHVHEJILKQGLKR-LSDHHAIUSA-N 2 2 361.446 0.407 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+](C)C1 ZINC000413397473 533481270 /nfs/dbraw/zinc/48/12/70/533481270.db2.gz FHVHEJILKQGLKR-LSDHHAIUSA-N 2 2 361.446 0.407 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931991110 674159803 /nfs/dbraw/zinc/15/98/03/674159803.db2.gz UERBBPOUMIPKDK-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931991110 674159807 /nfs/dbraw/zinc/15/98/07/674159807.db2.gz UERBBPOUMIPKDK-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000932147585 674170091 /nfs/dbraw/zinc/17/00/91/674170091.db2.gz FYUSOJIBFZNZFZ-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000932147585 674170092 /nfs/dbraw/zinc/17/00/92/674170092.db2.gz FYUSOJIBFZNZFZ-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000932273395 674175726 /nfs/dbraw/zinc/17/57/26/674175726.db2.gz PMLDZRHTEGVAIV-KURKYZTESA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000179290788 209075526 /nfs/dbraw/zinc/07/55/26/209075526.db2.gz ZNZDYZGJWPVSFH-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000113818618 229168742 /nfs/dbraw/zinc/16/87/42/229168742.db2.gz DJGGFOKHBCBNTA-GJZGRUSLSA-N 2 2 360.462 0.150 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000113818618 229168750 /nfs/dbraw/zinc/16/87/50/229168750.db2.gz DJGGFOKHBCBNTA-GJZGRUSLSA-N 2 2 360.462 0.150 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000163342193 229202144 /nfs/dbraw/zinc/20/21/44/229202144.db2.gz SDKMOVGPBDXSCH-GFCCVEGCSA-N 2 2 371.445 0.149 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000163342193 229202149 /nfs/dbraw/zinc/20/21/49/229202149.db2.gz SDKMOVGPBDXSCH-GFCCVEGCSA-N 2 2 371.445 0.149 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000173952368 229212671 /nfs/dbraw/zinc/21/26/71/229212671.db2.gz KMNTWUMIQNGOQM-UHFFFAOYSA-N 2 2 373.461 0.998 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000175736123 229214805 /nfs/dbraw/zinc/21/48/05/229214805.db2.gz VTSBXGYQPPSHEW-GDBMZVCRSA-N 2 2 353.467 0.162 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(NC(N)=O)CC1 ZINC000175745063 229216136 /nfs/dbraw/zinc/21/61/36/229216136.db2.gz AEWPGCABFWVONN-CQSZACIVSA-N 2 2 360.462 0.251 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)O1 ZINC000262088341 229297834 /nfs/dbraw/zinc/29/78/34/229297834.db2.gz UGAONOVOBLLRIX-NXHRZFHOSA-N 2 2 363.458 0.077 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000410436968 230079547 /nfs/dbraw/zinc/07/95/47/230079547.db2.gz SARLRZKCWQDEED-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000410436968 230079549 /nfs/dbraw/zinc/07/95/49/230079549.db2.gz SARLRZKCWQDEED-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000410469729 230090972 /nfs/dbraw/zinc/09/09/72/230090972.db2.gz OAACGMUISUJXSB-CVEARBPZSA-N 2 2 361.490 0.754 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410477289 230094725 /nfs/dbraw/zinc/09/47/25/230094725.db2.gz SPSYEZULPMCXDK-HOTGVXAUSA-N 2 2 361.490 0.754 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410477289 230094729 /nfs/dbraw/zinc/09/47/29/230094729.db2.gz SPSYEZULPMCXDK-HOTGVXAUSA-N 2 2 361.490 0.754 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@@H]1CC ZINC000410478076 230095381 /nfs/dbraw/zinc/09/53/81/230095381.db2.gz XUKXQAFMRAKSEZ-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@@H]1CC ZINC000410478076 230095385 /nfs/dbraw/zinc/09/53/85/230095385.db2.gz XUKXQAFMRAKSEZ-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@@H]1CC ZINC000410478076 230095388 /nfs/dbraw/zinc/09/53/88/230095388.db2.gz XUKXQAFMRAKSEZ-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@@H]1CC ZINC000410478076 230095392 /nfs/dbraw/zinc/09/53/92/230095392.db2.gz XUKXQAFMRAKSEZ-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410550449 230132044 /nfs/dbraw/zinc/13/20/44/230132044.db2.gz YQLYLBXBBYIAHI-FUHWJXTLSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410550449 230132046 /nfs/dbraw/zinc/13/20/46/230132046.db2.gz YQLYLBXBBYIAHI-FUHWJXTLSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410702263 230198237 /nfs/dbraw/zinc/19/82/37/230198237.db2.gz WGNUVRSKNVRJOA-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410702263 230198241 /nfs/dbraw/zinc/19/82/41/230198241.db2.gz WGNUVRSKNVRJOA-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)CC2)cc[nH+]1 ZINC000410729874 230219450 /nfs/dbraw/zinc/21/94/50/230219450.db2.gz KTHWDFBKQKTUHA-MRXNPFEDSA-N 2 2 374.489 0.232 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)CC2)cc[nH+]1 ZINC000410729874 230219452 /nfs/dbraw/zinc/21/94/52/230219452.db2.gz KTHWDFBKQKTUHA-MRXNPFEDSA-N 2 2 374.489 0.232 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000299688822 488867563 /nfs/dbraw/zinc/86/75/63/488867563.db2.gz VHXJPZMQKCNFQH-UHFFFAOYSA-N 2 2 355.442 0.977 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)C2)CC1 ZINC000363763580 488882870 /nfs/dbraw/zinc/88/28/70/488882870.db2.gz ZPVTWISFWZNETB-BHYGNILZSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)C2)CC1 ZINC000363763580 488882871 /nfs/dbraw/zinc/88/28/71/488882871.db2.gz ZPVTWISFWZNETB-BHYGNILZSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000562797056 491189580 /nfs/dbraw/zinc/18/95/80/491189580.db2.gz QQDHHDZQJOLHHB-MRXNPFEDSA-N 2 2 362.474 0.901 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000302216774 488888883 /nfs/dbraw/zinc/88/88/83/488888883.db2.gz IYXHFYXOJDBKON-HNNXBMFYSA-N 2 2 361.494 0.193 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000302579985 488890649 /nfs/dbraw/zinc/89/06/49/488890649.db2.gz SEMAFVFTTSQDNV-OAHLLOKOSA-N 2 2 362.478 0.260 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000302579985 488890652 /nfs/dbraw/zinc/89/06/52/488890652.db2.gz SEMAFVFTTSQDNV-OAHLLOKOSA-N 2 2 362.478 0.260 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660970 488892232 /nfs/dbraw/zinc/89/22/32/488892232.db2.gz CLHCBENGRMVFKZ-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660970 488892234 /nfs/dbraw/zinc/89/22/34/488892234.db2.gz CLHCBENGRMVFKZ-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000562795689 491189894 /nfs/dbraw/zinc/18/98/94/491189894.db2.gz RDVNXHVOMHNSQD-ROUUACIJSA-N 2 2 362.474 0.656 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000278761561 488894293 /nfs/dbraw/zinc/89/42/93/488894293.db2.gz FZHXMQKGHDCJQN-UHFFFAOYSA-N 2 2 361.490 0.560 20 0 FCADLP O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000278807709 488897443 /nfs/dbraw/zinc/89/74/43/488897443.db2.gz OZQJODJVWWDHCR-ZACQAIPSSA-N 2 2 367.877 0.631 20 0 FCADLP O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000278807709 488897446 /nfs/dbraw/zinc/89/74/46/488897446.db2.gz OZQJODJVWWDHCR-ZACQAIPSSA-N 2 2 367.877 0.631 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000287790271 488906432 /nfs/dbraw/zinc/90/64/32/488906432.db2.gz LMPLGRFLDYUSDX-UHFFFAOYSA-N 2 2 365.478 0.269 20 0 FCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000328616972 488923837 /nfs/dbraw/zinc/92/38/37/488923837.db2.gz SZVJEUDRHDHZOO-UHFFFAOYSA-N 2 2 357.458 0.926 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364309208 488946163 /nfs/dbraw/zinc/94/61/63/488946163.db2.gz OXPJFKLEZOCFDK-GOSISDBHSA-N 2 2 352.523 0.631 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364309208 488946165 /nfs/dbraw/zinc/94/61/65/488946165.db2.gz OXPJFKLEZOCFDK-GOSISDBHSA-N 2 2 352.523 0.631 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H]1C ZINC000328934360 488953041 /nfs/dbraw/zinc/95/30/41/488953041.db2.gz CELQQZYUPMLGRL-ULQDDVLXSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H]1C ZINC000328934360 488953042 /nfs/dbraw/zinc/95/30/42/488953042.db2.gz CELQQZYUPMLGRL-ULQDDVLXSA-N 2 2 366.506 0.108 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000045733176 487949030 /nfs/dbraw/zinc/94/90/30/487949030.db2.gz LYOUMIGOVASLJV-UHFFFAOYSA-N 2 2 355.442 0.872 20 0 FCADLP CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)N(C)C ZINC000051790801 488145764 /nfs/dbraw/zinc/14/57/64/488145764.db2.gz LWLRFVXTMOEWIZ-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP CC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)N(C)C ZINC000051790801 488145773 /nfs/dbraw/zinc/14/57/73/488145773.db2.gz LWLRFVXTMOEWIZ-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP CC(=O)NCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000052849724 488184458 /nfs/dbraw/zinc/18/44/58/488184458.db2.gz WKWVJCAMHXEINS-UHFFFAOYSA-N 2 2 362.474 0.772 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057373348 488270801 /nfs/dbraw/zinc/27/08/01/488270801.db2.gz UTDVGSYXFHTDEE-UHFFFAOYSA-N 2 2 372.477 0.575 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000057725959 488274568 /nfs/dbraw/zinc/27/45/68/488274568.db2.gz BGTXETGLADNVDR-HNNXBMFYSA-N 2 2 357.462 0.918 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000067413056 488350448 /nfs/dbraw/zinc/35/04/48/488350448.db2.gz WGRHJJBMKPYQME-KRWDZBQOSA-N 2 2 362.474 0.772 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000067413056 488350449 /nfs/dbraw/zinc/35/04/49/488350449.db2.gz WGRHJJBMKPYQME-KRWDZBQOSA-N 2 2 362.474 0.772 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000068406868 488365105 /nfs/dbraw/zinc/36/51/05/488365105.db2.gz ZJGQQWKEVDROEM-UHFFFAOYSA-N 2 2 359.474 0.512 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000068775312 488369266 /nfs/dbraw/zinc/36/92/66/488369266.db2.gz NFRAKZXEJYIIJH-UHFFFAOYSA-N 2 2 371.441 0.974 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1=O ZINC000073733547 488386124 /nfs/dbraw/zinc/38/61/24/488386124.db2.gz ZPDARYAXLRTWCU-MRXNPFEDSA-N 2 2 355.442 0.899 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000073773816 488386203 /nfs/dbraw/zinc/38/62/03/488386203.db2.gz CYKPQEMKZRUDNC-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000073789552 488386253 /nfs/dbraw/zinc/38/62/53/488386253.db2.gz UJUQPDTVICQHQW-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073881171 488386712 /nfs/dbraw/zinc/38/67/12/488386712.db2.gz NESCIHQHWBHNBS-CABCVRRESA-N 2 2 353.511 0.711 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073881175 488386791 /nfs/dbraw/zinc/38/67/91/488386791.db2.gz NESCIHQHWBHNBS-GJZGRUSLSA-N 2 2 353.511 0.711 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000562831802 491194638 /nfs/dbraw/zinc/19/46/38/491194638.db2.gz YILNRYJJSZRTAZ-UHFFFAOYSA-N 2 2 350.488 0.508 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+]1C ZINC000554335521 491194928 /nfs/dbraw/zinc/19/49/28/491194928.db2.gz LZBJPSWIYQJBNQ-QBPKDAKJSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+]1C ZINC000554335521 491194929 /nfs/dbraw/zinc/19/49/29/491194929.db2.gz LZBJPSWIYQJBNQ-QBPKDAKJSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074877870 488394695 /nfs/dbraw/zinc/39/46/95/488394695.db2.gz JJFYCEVCCZMPAG-SJLPKXTDSA-N 2 2 351.539 0.996 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877870 488394698 /nfs/dbraw/zinc/39/46/98/488394698.db2.gz JJFYCEVCCZMPAG-SJLPKXTDSA-N 2 2 351.539 0.996 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000185124457 488399318 /nfs/dbraw/zinc/39/93/18/488399318.db2.gz YTOZZPUCPIATBN-QGZVFWFLSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@H]1C(=O)N(C)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000186556664 488407195 /nfs/dbraw/zinc/40/71/95/488407195.db2.gz HNHZWYPHZQMDFG-AWEZNQCLSA-N 2 2 351.495 0.417 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@H](CO)O1 ZINC000190105925 488416541 /nfs/dbraw/zinc/41/65/41/488416541.db2.gz VGRXGFNHUNAUOI-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@H](CO)O1 ZINC000190105925 488416543 /nfs/dbraw/zinc/41/65/43/488416543.db2.gz VGRXGFNHUNAUOI-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@H](CO)O1 ZINC000190105925 488416545 /nfs/dbraw/zinc/41/65/45/488416545.db2.gz VGRXGFNHUNAUOI-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@H](CO)O1 ZINC000190105925 488416547 /nfs/dbraw/zinc/41/65/47/488416547.db2.gz VGRXGFNHUNAUOI-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1CO ZINC000190848742 488417825 /nfs/dbraw/zinc/41/78/25/488417825.db2.gz ZUECUBJLIGALBN-APWZRJJASA-N 2 2 373.497 0.826 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1CO ZINC000190848742 488417827 /nfs/dbraw/zinc/41/78/27/488417827.db2.gz ZUECUBJLIGALBN-APWZRJJASA-N 2 2 373.497 0.826 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000078031145 488419525 /nfs/dbraw/zinc/41/95/25/488419525.db2.gz JTXRRRMDPCATID-UHFFFAOYSA-N 2 2 361.490 0.384 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000192732664 488423982 /nfs/dbraw/zinc/42/39/82/488423982.db2.gz VUJVLCBADARFBC-UHFFFAOYSA-N 3 2 365.566 0.643 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000079050431 488426656 /nfs/dbraw/zinc/42/66/56/488426656.db2.gz NCKAHCFQAUNFEF-AWEZNQCLSA-N 2 2 351.495 0.417 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000079050431 488426657 /nfs/dbraw/zinc/42/66/57/488426657.db2.gz NCKAHCFQAUNFEF-AWEZNQCLSA-N 2 2 351.495 0.417 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000079193030 488428531 /nfs/dbraw/zinc/42/85/31/488428531.db2.gz APQBJPDXXKDVQQ-CQSZACIVSA-N 2 2 351.451 0.346 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079200999 488428822 /nfs/dbraw/zinc/42/88/22/488428822.db2.gz JVOUZAAITPIMQW-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193943173 488429968 /nfs/dbraw/zinc/42/99/68/488429968.db2.gz JMCMRAVZGBTKMB-UHFFFAOYSA-N 2 2 359.430 0.895 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1)N1CCCC1 ZINC000079460417 488430193 /nfs/dbraw/zinc/43/01/93/488430193.db2.gz KSUDWIHTBIWSOG-INIZCTEOSA-N 2 2 363.506 0.420 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1)N1CCCC1 ZINC000079460417 488430194 /nfs/dbraw/zinc/43/01/94/488430194.db2.gz KSUDWIHTBIWSOG-INIZCTEOSA-N 2 2 363.506 0.420 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)CC1 ZINC000194832726 488434246 /nfs/dbraw/zinc/43/42/46/488434246.db2.gz QHJYJZRMJXPAGH-UHFFFAOYSA-N 3 2 351.520 0.933 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000194891460 488434761 /nfs/dbraw/zinc/43/47/61/488434761.db2.gz LGDZPCASXKOTJB-CQSZACIVSA-N 2 2 350.467 0.291 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCC(=O)NC3CC3)CC2)CC1 ZINC000195343387 488437094 /nfs/dbraw/zinc/43/70/94/488437094.db2.gz CGXCNIYRBLTBEC-UHFFFAOYSA-N 2 2 365.522 0.903 20 0 FCADLP Cn1c2ncn(CC[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c(=O)n(C)c1=O ZINC000080961562 488438420 /nfs/dbraw/zinc/43/84/20/488438420.db2.gz RPTNEGGEBAXRAD-LBPRGKRZSA-N 2 2 357.418 0.036 20 0 FCADLP Cn1c2ncn(CC[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c(=O)n(C)c1=O ZINC000080961562 488438421 /nfs/dbraw/zinc/43/84/21/488438421.db2.gz RPTNEGGEBAXRAD-LBPRGKRZSA-N 2 2 357.418 0.036 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)CC2)c1 ZINC000081385174 488442062 /nfs/dbraw/zinc/44/20/62/488442062.db2.gz GCZJCXGEWNARDJ-FQEVSTJZSA-N 2 2 373.545 0.869 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CN(C)CC[N@H+]3C)CC2)c1 ZINC000081385174 488442064 /nfs/dbraw/zinc/44/20/64/488442064.db2.gz GCZJCXGEWNARDJ-FQEVSTJZSA-N 2 2 373.545 0.869 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000083700767 488447728 /nfs/dbraw/zinc/44/77/28/488447728.db2.gz LEGPPPQIEXOFSI-CVEARBPZSA-N 2 2 370.519 0.685 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000083700923 488447866 /nfs/dbraw/zinc/44/78/66/488447866.db2.gz LXYWBNLZOYGEPJ-KSZLIROESA-N 2 2 370.538 0.689 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000083700923 488447868 /nfs/dbraw/zinc/44/78/68/488447868.db2.gz LXYWBNLZOYGEPJ-KSZLIROESA-N 2 2 370.538 0.689 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000083700687 488448039 /nfs/dbraw/zinc/44/80/39/488448039.db2.gz JSPMFUJUQQHEDG-ZWKOTPCHSA-N 2 2 370.538 0.831 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1C ZINC000083739034 488449423 /nfs/dbraw/zinc/44/94/23/488449423.db2.gz PBJDPBARKSFRIU-CQSZACIVSA-N 2 2 350.467 0.492 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000086991117 488453525 /nfs/dbraw/zinc/45/35/25/488453525.db2.gz ABTPJGWJCAZJIP-HZPDHXFCSA-N 2 2 362.478 0.610 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237523675 488456087 /nfs/dbraw/zinc/45/60/87/488456087.db2.gz KXMNDQVVLGSBGO-KBXCAEBGSA-N 2 2 356.470 0.685 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000089926610 488458829 /nfs/dbraw/zinc/45/88/29/488458829.db2.gz RDIQCASGWOXONG-KRWDZBQOSA-N 2 2 373.457 0.940 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CCC[N@H+](C)C3)nc2)CC1 ZINC000091482782 488464403 /nfs/dbraw/zinc/46/44/03/488464403.db2.gz ZXSTZWSFMRXNFY-HNNXBMFYSA-N 2 2 367.519 0.771 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CCC[N@@H+](C)C3)nc2)CC1 ZINC000091482782 488464405 /nfs/dbraw/zinc/46/44/05/488464405.db2.gz ZXSTZWSFMRXNFY-HNNXBMFYSA-N 2 2 367.519 0.771 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269038704 488464777 /nfs/dbraw/zinc/46/47/77/488464777.db2.gz VTQZNQMEOQDNPB-MRXNPFEDSA-N 2 2 364.494 0.857 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269038704 488464780 /nfs/dbraw/zinc/46/47/80/488464780.db2.gz VTQZNQMEOQDNPB-MRXNPFEDSA-N 2 2 364.494 0.857 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246153035 488470052 /nfs/dbraw/zinc/47/00/52/488470052.db2.gz PJIZVMMQJJPZIL-IAGOWNOFSA-N 2 2 370.538 0.831 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246153035 488470056 /nfs/dbraw/zinc/47/00/56/488470056.db2.gz PJIZVMMQJJPZIL-IAGOWNOFSA-N 2 2 370.538 0.831 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000246342033 488471600 /nfs/dbraw/zinc/47/16/00/488471600.db2.gz OVWUNKLGBUVSPI-ZWKOTPCHSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000246342033 488471602 /nfs/dbraw/zinc/47/16/02/488471602.db2.gz OVWUNKLGBUVSPI-ZWKOTPCHSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000246449839 488472853 /nfs/dbraw/zinc/47/28/53/488472853.db2.gz ONYPOTPPHJHONV-BZSNNMDCSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000246449839 488472855 /nfs/dbraw/zinc/47/28/55/488472855.db2.gz ONYPOTPPHJHONV-BZSNNMDCSA-N 2 2 369.554 0.667 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905495 488477262 /nfs/dbraw/zinc/47/72/62/488477262.db2.gz VSFSWHFUVKADRT-OTWHNJEPSA-N 2 2 361.486 0.706 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905495 488477265 /nfs/dbraw/zinc/47/72/65/488477265.db2.gz VSFSWHFUVKADRT-OTWHNJEPSA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905495 488477267 /nfs/dbraw/zinc/47/72/67/488477267.db2.gz VSFSWHFUVKADRT-OTWHNJEPSA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000246905495 488477271 /nfs/dbraw/zinc/47/72/71/488477271.db2.gz VSFSWHFUVKADRT-OTWHNJEPSA-N 2 2 361.486 0.706 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000093199734 488478813 /nfs/dbraw/zinc/47/88/13/488478813.db2.gz JMRHLCJJPYJXJY-MRXNPFEDSA-N 2 2 372.391 0.770 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3csc(C[NH3+])n3)cc2)CC1 ZINC000269229440 488480854 /nfs/dbraw/zinc/48/08/54/488480854.db2.gz HJMHFQUOAXMORM-UHFFFAOYSA-N 2 2 373.482 0.919 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269269023 488484347 /nfs/dbraw/zinc/48/43/47/488484347.db2.gz QTVXRHXYBIQGPL-SJORKVTESA-N 2 2 361.490 0.477 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000247384487 488485286 /nfs/dbraw/zinc/48/52/86/488485286.db2.gz PHWZEJBTMCIAJZ-YESZJQIVSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000247384487 488485288 /nfs/dbraw/zinc/48/52/88/488485288.db2.gz PHWZEJBTMCIAJZ-YESZJQIVSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247809477 488490140 /nfs/dbraw/zinc/49/01/40/488490140.db2.gz UKQQAGCFGXETQP-ZACQAIPSSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247809477 488490141 /nfs/dbraw/zinc/49/01/41/488490141.db2.gz UKQQAGCFGXETQP-ZACQAIPSSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247809477 488490143 /nfs/dbraw/zinc/49/01/43/488490143.db2.gz UKQQAGCFGXETQP-ZACQAIPSSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247809477 488490144 /nfs/dbraw/zinc/49/01/44/488490144.db2.gz UKQQAGCFGXETQP-ZACQAIPSSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248584457 488499121 /nfs/dbraw/zinc/49/91/21/488499121.db2.gz FYITVMSQIPTXBW-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248584457 488499123 /nfs/dbraw/zinc/49/91/23/488499123.db2.gz FYITVMSQIPTXBW-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248584457 488499124 /nfs/dbraw/zinc/49/91/24/488499124.db2.gz FYITVMSQIPTXBW-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000248584457 488499126 /nfs/dbraw/zinc/49/91/26/488499126.db2.gz FYITVMSQIPTXBW-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000105111913 488507146 /nfs/dbraw/zinc/50/71/46/488507146.db2.gz DZBKNGLNUGOUCR-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCOCC1 ZINC000105111913 488507148 /nfs/dbraw/zinc/50/71/48/488507148.db2.gz DZBKNGLNUGOUCR-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[NH+]1CCC(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000105162881 488507719 /nfs/dbraw/zinc/50/77/19/488507719.db2.gz LRQFHWNVGGPNQR-UHFFFAOYSA-N 2 2 361.494 0.240 20 0 FCADLP COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249424247 488509975 /nfs/dbraw/zinc/50/99/75/488509975.db2.gz XTFUKOBKHFCYOT-IAGOWNOFSA-N 2 2 362.474 0.856 20 0 FCADLP COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249424247 488509979 /nfs/dbraw/zinc/50/99/79/488509979.db2.gz XTFUKOBKHFCYOT-IAGOWNOFSA-N 2 2 362.474 0.856 20 0 FCADLP COCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041286 488510986 /nfs/dbraw/zinc/51/09/86/488510986.db2.gz NQUDVUZEHJCRJV-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2c[nH+]cn2C)c1 ZINC000106246461 488512849 /nfs/dbraw/zinc/51/28/49/488512849.db2.gz USDOUMSLYBNMPJ-LLVKDONJSA-N 2 2 351.432 0.445 20 0 FCADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000250122696 488515561 /nfs/dbraw/zinc/51/55/61/488515561.db2.gz VPDYBFMZXJBBQP-HKUYNNGSSA-N 2 2 360.502 0.500 20 0 FCADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000250122696 488515564 /nfs/dbraw/zinc/51/55/64/488515564.db2.gz VPDYBFMZXJBBQP-HKUYNNGSSA-N 2 2 360.502 0.500 20 0 FCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000271444217 488520594 /nfs/dbraw/zinc/52/05/94/488520594.db2.gz DTLZAVNDKZFCDI-ZBFHGGJFSA-N 2 2 361.442 0.999 20 0 FCADLP C[NH+]1CCN(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000109949811 488524881 /nfs/dbraw/zinc/52/48/81/488524881.db2.gz DRZITWAFNHDGFY-UHFFFAOYSA-N 2 2 359.518 0.298 20 0 FCADLP CN1CC[NH+](Cc2ccc(CNC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000109949811 488524882 /nfs/dbraw/zinc/52/48/82/488524882.db2.gz DRZITWAFNHDGFY-UHFFFAOYSA-N 2 2 359.518 0.298 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261591977 488527007 /nfs/dbraw/zinc/52/70/07/488527007.db2.gz MGUBWIPDPJIFPM-WMZOPIPTSA-N 2 2 362.474 0.103 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261591977 488527008 /nfs/dbraw/zinc/52/70/08/488527008.db2.gz MGUBWIPDPJIFPM-WMZOPIPTSA-N 2 2 362.474 0.103 20 0 FCADLP C[N@H+](CCn1cccn1)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000111281852 488529219 /nfs/dbraw/zinc/52/92/19/488529219.db2.gz FGETTYDPBUKHNZ-UHFFFAOYSA-N 2 2 371.485 0.964 20 0 FCADLP C[N@@H+](CCn1cccn1)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000111281852 488529222 /nfs/dbraw/zinc/52/92/22/488529222.db2.gz FGETTYDPBUKHNZ-UHFFFAOYSA-N 2 2 371.485 0.964 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261784917 488535706 /nfs/dbraw/zinc/53/57/06/488535706.db2.gz HRUUMJFKOLBHBM-XKQJLSEDSA-N 2 2 362.449 0.932 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261784917 488535707 /nfs/dbraw/zinc/53/57/07/488535707.db2.gz HRUUMJFKOLBHBM-XKQJLSEDSA-N 2 2 362.449 0.932 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1=O ZINC000114165110 488540013 /nfs/dbraw/zinc/54/00/13/488540013.db2.gz UFUUSUPPXNFALP-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000114477835 488540816 /nfs/dbraw/zinc/54/08/16/488540816.db2.gz ZEZGQNNFACCACM-OAHLLOKOSA-N 2 2 362.540 0.046 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000114477835 488540817 /nfs/dbraw/zinc/54/08/17/488540817.db2.gz ZEZGQNNFACCACM-OAHLLOKOSA-N 2 2 362.540 0.046 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)[C@@H](C[NH3+])C1 ZINC000569941783 491204900 /nfs/dbraw/zinc/20/49/00/491204900.db2.gz FEASKJJBHCTXRQ-AWEZNQCLSA-N 2 2 371.441 0.799 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902364 488541042 /nfs/dbraw/zinc/54/10/42/488541042.db2.gz RVDVNYNMPDNKHH-KBPBESRZSA-N 2 2 365.503 0.686 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902364 488541044 /nfs/dbraw/zinc/54/10/44/488541044.db2.gz RVDVNYNMPDNKHH-KBPBESRZSA-N 2 2 365.503 0.686 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261901860 488541164 /nfs/dbraw/zinc/54/11/64/488541164.db2.gz WPVPKEGLUKNCSZ-SFHVURJKSA-N 3 2 352.523 0.808 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261901860 488541168 /nfs/dbraw/zinc/54/11/68/488541168.db2.gz WPVPKEGLUKNCSZ-SFHVURJKSA-N 3 2 352.523 0.808 20 0 FCADLP CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000114457695 488541192 /nfs/dbraw/zinc/54/11/92/488541192.db2.gz ARUFYTPNPLCGQZ-UHFFFAOYSA-N 2 2 352.504 0.849 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)O1 ZINC000261911211 488541718 /nfs/dbraw/zinc/54/17/18/488541718.db2.gz XPLOKFYATHCETJ-PBHICJAKSA-N 2 2 373.457 0.882 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)[C@@H](C[NH3+])C1 ZINC000569941783 491204901 /nfs/dbraw/zinc/20/49/01/491204901.db2.gz FEASKJJBHCTXRQ-AWEZNQCLSA-N 2 2 371.441 0.799 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000261963521 488544036 /nfs/dbraw/zinc/54/40/36/488544036.db2.gz ANCHQDJDENLEMV-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000116993655 488549945 /nfs/dbraw/zinc/54/99/45/488549945.db2.gz MJJSWVIUMAAKFQ-QGZVFWFLSA-N 2 2 366.531 0.900 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311897 488563410 /nfs/dbraw/zinc/56/34/10/488563410.db2.gz QLIDBLWVHAVLDC-SIIHOXLZSA-N 2 2 363.458 0.771 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311897 488563412 /nfs/dbraw/zinc/56/34/12/488563412.db2.gz QLIDBLWVHAVLDC-SIIHOXLZSA-N 2 2 363.458 0.771 20 0 FCADLP COCC1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC000262386165 488567402 /nfs/dbraw/zinc/56/74/02/488567402.db2.gz OUYBZHUMLBWZTA-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1ccn2cc(CNC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)[nH+]c2c1 ZINC000262420037 488569341 /nfs/dbraw/zinc/56/93/41/488569341.db2.gz RQUVARULOQXTLH-UHFFFAOYSA-N 2 2 350.444 0.426 20 0 FCADLP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262432745 488570056 /nfs/dbraw/zinc/57/00/56/488570056.db2.gz SRUVUCDWKVDIMD-ZDUSSCGKSA-N 2 2 356.829 0.635 20 0 FCADLP [NH3+]CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262432745 488570058 /nfs/dbraw/zinc/57/00/58/488570058.db2.gz SRUVUCDWKVDIMD-ZDUSSCGKSA-N 2 2 356.829 0.635 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC[NH+](C)C ZINC000272320510 488572886 /nfs/dbraw/zinc/57/28/86/488572886.db2.gz AKSNVOVLZPGOHY-UHFFFAOYSA-N 2 2 363.462 0.766 20 0 FCADLP C[NH2+][C@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1cnn(C)c1 ZINC000262484146 488573032 /nfs/dbraw/zinc/57/30/32/488573032.db2.gz ZXMIGDUGXLZAHY-YJBOKZPZSA-N 2 2 371.489 0.403 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000122592260 488579653 /nfs/dbraw/zinc/57/96/53/488579653.db2.gz ATQULQGXHBTZLI-JKSUJKDBSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000122592260 488579655 /nfs/dbraw/zinc/57/96/55/488579655.db2.gz ATQULQGXHBTZLI-JKSUJKDBSA-N 2 2 351.495 0.419 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CSC[NH2+]1 ZINC000262651845 488584427 /nfs/dbraw/zinc/58/44/27/488584427.db2.gz JRDBIEPPYXQWHV-MRXNPFEDSA-N 2 2 351.472 0.676 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000570023909 491210647 /nfs/dbraw/zinc/21/06/47/491210647.db2.gz CQXHMJKNSYXEFM-IYBDPMFKSA-N 2 2 368.522 0.233 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000570023909 491210650 /nfs/dbraw/zinc/21/06/50/491210650.db2.gz CQXHMJKNSYXEFM-IYBDPMFKSA-N 2 2 368.522 0.233 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)[NH+]1CCO ZINC000570023909 491210653 /nfs/dbraw/zinc/21/06/53/491210653.db2.gz CQXHMJKNSYXEFM-IYBDPMFKSA-N 2 2 368.522 0.233 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)[NH+]1CCO ZINC000570023909 491210654 /nfs/dbraw/zinc/21/06/54/491210654.db2.gz CQXHMJKNSYXEFM-IYBDPMFKSA-N 2 2 368.522 0.233 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262761672 488590971 /nfs/dbraw/zinc/59/09/71/488590971.db2.gz LLCTZRRQLACFAL-CABCVRRESA-N 2 2 363.462 0.517 20 0 FCADLP COCCCS(=O)(=O)N1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125676563 488603379 /nfs/dbraw/zinc/60/33/79/488603379.db2.gz WQLGRVLROSGLSE-UHFFFAOYSA-N 2 2 358.508 0.956 20 0 FCADLP C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)N1CC[NH+](C)CC1 ZINC000125711722 488603600 /nfs/dbraw/zinc/60/36/00/488603600.db2.gz UBUCZHLZPNLQEB-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP O=C(CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000126049203 488606520 /nfs/dbraw/zinc/60/65/20/488606520.db2.gz OSHZPDWAMNMGHT-OAHLLOKOSA-N 2 2 366.487 0.897 20 0 FCADLP CC(C)(C)[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(N)=O ZINC000126915715 488612944 /nfs/dbraw/zinc/61/29/44/488612944.db2.gz WATOKSALPQCIJV-OAHLLOKOSA-N 2 2 352.504 0.882 20 0 FCADLP CC1(C)NC(=O)N(CCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1=O ZINC000570047972 491212206 /nfs/dbraw/zinc/21/22/06/491212206.db2.gz BXPQSGLETYLQDE-UHFFFAOYSA-N 2 2 352.479 0.533 20 0 FCADLP C[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000263644735 488615638 /nfs/dbraw/zinc/61/56/38/488615638.db2.gz DEANPIMGKUWOMZ-INIZCTEOSA-N 2 2 360.506 0.086 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000127236068 488615685 /nfs/dbraw/zinc/61/56/85/488615685.db2.gz WGZULRWQJVWMTG-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP C[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000263645465 488615844 /nfs/dbraw/zinc/61/58/44/488615844.db2.gz DEANPIMGKUWOMZ-MRXNPFEDSA-N 2 2 360.506 0.086 20 0 FCADLP NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000272969075 488621379 /nfs/dbraw/zinc/62/13/79/488621379.db2.gz HAHJAZFBBMUUSD-HUUCEWRRSA-N 2 2 356.392 0.691 20 0 FCADLP O=CN1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000273031626 488626762 /nfs/dbraw/zinc/62/67/62/488626762.db2.gz YBNPPBHCUGGLTN-UHFFFAOYSA-N 2 2 350.488 0.556 20 0 FCADLP O=CN1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000273031626 488626764 /nfs/dbraw/zinc/62/67/64/488626764.db2.gz YBNPPBHCUGGLTN-UHFFFAOYSA-N 2 2 350.488 0.556 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000131355579 488644979 /nfs/dbraw/zinc/64/49/79/488644979.db2.gz FIVPMRGKUGQFKG-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000131355579 488644980 /nfs/dbraw/zinc/64/49/80/488644980.db2.gz FIVPMRGKUGQFKG-RTBURBONSA-N 2 2 361.486 0.803 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000264242154 488657536 /nfs/dbraw/zinc/65/75/36/488657536.db2.gz BRUDLYMMSBGYKK-UHFFFAOYSA-N 2 2 361.490 0.766 20 0 FCADLP COCC(=O)N[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000133519903 488660664 /nfs/dbraw/zinc/66/06/64/488660664.db2.gz RQLVGQGVIHYFLK-KRWDZBQOSA-N 2 2 356.511 0.258 20 0 FCADLP COCC(=O)N[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000133519903 488660666 /nfs/dbraw/zinc/66/06/66/488660666.db2.gz RQLVGQGVIHYFLK-KRWDZBQOSA-N 2 2 356.511 0.258 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000133706368 488661483 /nfs/dbraw/zinc/66/14/83/488661483.db2.gz IFEPBMJTBLDCIN-UHFFFAOYSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264436680 488673469 /nfs/dbraw/zinc/67/34/69/488673469.db2.gz PNVMJSJFLQZKJU-FXAWDEMLSA-N 2 2 374.529 0.937 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135749478 488675105 /nfs/dbraw/zinc/67/51/05/488675105.db2.gz UAWIQQUWLULXSO-INIZCTEOSA-N 2 2 372.535 0.087 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135749478 488675108 /nfs/dbraw/zinc/67/51/08/488675108.db2.gz UAWIQQUWLULXSO-INIZCTEOSA-N 2 2 372.535 0.087 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(CO)CO ZINC000135847648 488675192 /nfs/dbraw/zinc/67/51/92/488675192.db2.gz KHHXTBOZZGNBAK-UHFFFAOYSA-N 2 2 355.504 0.315 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(CO)CO ZINC000135847648 488675194 /nfs/dbraw/zinc/67/51/94/488675194.db2.gz KHHXTBOZZGNBAK-UHFFFAOYSA-N 2 2 355.504 0.315 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000136226716 488677169 /nfs/dbraw/zinc/67/71/69/488677169.db2.gz YXKTXAVSIFELNF-RDJZCZTQSA-N 2 2 363.506 0.718 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000264485534 488678510 /nfs/dbraw/zinc/67/85/10/488678510.db2.gz OJVONXKKGYODEU-QGZVFWFLSA-N 2 2 374.489 0.249 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000264485534 488678511 /nfs/dbraw/zinc/67/85/11/488678511.db2.gz OJVONXKKGYODEU-QGZVFWFLSA-N 2 2 374.489 0.249 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000139185766 488684315 /nfs/dbraw/zinc/68/43/15/488684315.db2.gz QOKZXZMSCJKRGD-QGZVFWFLSA-N 2 2 360.506 0.858 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000139185766 488684317 /nfs/dbraw/zinc/68/43/17/488684317.db2.gz QOKZXZMSCJKRGD-QGZVFWFLSA-N 2 2 360.506 0.858 20 0 FCADLP COc1cc2[nH+]c(N3CCN(C(=O)C[NH+](C)C)CC3)nc(N)c2cc1OC ZINC000264667930 488696420 /nfs/dbraw/zinc/69/64/20/488696420.db2.gz VIMDTGFBGRTPNN-UHFFFAOYSA-N 2 2 374.445 0.439 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000274300996 488696888 /nfs/dbraw/zinc/69/68/88/488696888.db2.gz SJBZGMRTCOKTRQ-OAHLLOKOSA-N 2 2 354.476 0.559 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000274300996 488696890 /nfs/dbraw/zinc/69/68/90/488696890.db2.gz SJBZGMRTCOKTRQ-OAHLLOKOSA-N 2 2 354.476 0.559 20 0 FCADLP C[C@H]1C[NH+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H](C)O1 ZINC000274377900 488702381 /nfs/dbraw/zinc/70/23/81/488702381.db2.gz RUBQZEQJRSVEGS-GJZGRUSLSA-N 2 2 362.478 0.666 20 0 FCADLP C[C@H]1C[NH+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C[C@H](C)O1 ZINC000274377900 488702383 /nfs/dbraw/zinc/70/23/83/488702383.db2.gz RUBQZEQJRSVEGS-GJZGRUSLSA-N 2 2 362.478 0.666 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264722264 488703153 /nfs/dbraw/zinc/70/31/53/488703153.db2.gz LFCSTVQQQQUXKJ-MRXNPFEDSA-N 2 2 357.462 0.621 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264722264 488703157 /nfs/dbraw/zinc/70/31/57/488703157.db2.gz LFCSTVQQQQUXKJ-MRXNPFEDSA-N 2 2 357.462 0.621 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000563089413 491214253 /nfs/dbraw/zinc/21/42/53/491214253.db2.gz OSZHYKJYPCIDBX-CQSZACIVSA-N 2 2 370.457 0.829 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000264820757 488715790 /nfs/dbraw/zinc/71/57/90/488715790.db2.gz HJLXCEVPWXHXNI-INIZCTEOSA-N 2 2 365.547 0.864 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000264820757 488715793 /nfs/dbraw/zinc/71/57/93/488715793.db2.gz HJLXCEVPWXHXNI-INIZCTEOSA-N 2 2 365.547 0.864 20 0 FCADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000274647093 488725027 /nfs/dbraw/zinc/72/50/27/488725027.db2.gz KTSQBZJILOSBRV-PBHICJAKSA-N 2 2 372.469 0.991 20 0 FCADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000274647093 488725029 /nfs/dbraw/zinc/72/50/29/488725029.db2.gz KTSQBZJILOSBRV-PBHICJAKSA-N 2 2 372.469 0.991 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000274701882 488728274 /nfs/dbraw/zinc/72/82/74/488728274.db2.gz YJARQMFKLJNUOJ-OAHLLOKOSA-N 2 2 365.478 0.420 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000274701882 488728276 /nfs/dbraw/zinc/72/82/76/488728276.db2.gz YJARQMFKLJNUOJ-OAHLLOKOSA-N 2 2 365.478 0.420 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCC[NH+]1CCC(O)CC1 ZINC000266893190 488740930 /nfs/dbraw/zinc/74/09/30/488740930.db2.gz MUVFMGKDRXLMEG-UHFFFAOYSA-N 2 2 361.490 0.167 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000266891617 488741200 /nfs/dbraw/zinc/74/12/00/488741200.db2.gz DDBXBXYTRHZSKO-UHFFFAOYSA-N 2 2 363.487 0.993 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000266962828 488747932 /nfs/dbraw/zinc/74/79/32/488747932.db2.gz KXLDPKCUNQFUHX-UHFFFAOYSA-N 2 2 361.450 0.932 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000155902417 488760280 /nfs/dbraw/zinc/76/02/80/488760280.db2.gz KELJHUCCXMMBTD-ZWKOTPCHSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000155902417 488760285 /nfs/dbraw/zinc/76/02/85/488760285.db2.gz KELJHUCCXMMBTD-ZWKOTPCHSA-N 2 2 369.554 0.526 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000267221490 488770399 /nfs/dbraw/zinc/77/03/99/488770399.db2.gz HICWNTJBDNAKGA-UHFFFAOYSA-N 2 2 374.532 0.169 20 0 FCADLP C[NH+]1CCC(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000157365732 488770763 /nfs/dbraw/zinc/77/07/63/488770763.db2.gz WWJNHKJAYHXEIV-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000267230494 488771228 /nfs/dbraw/zinc/77/12/28/488771228.db2.gz WIVJAYXDQBMCSY-ZDUSSCGKSA-N 2 2 363.462 0.689 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000275222058 488774132 /nfs/dbraw/zinc/77/41/32/488774132.db2.gz JUIKSESYDIWNHN-UHFFFAOYSA-N 2 2 374.485 0.617 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3ccccc3O)CC2)CC1 ZINC000275241286 488776522 /nfs/dbraw/zinc/77/65/22/488776522.db2.gz NGAJUSAAUHJKRN-UHFFFAOYSA-N 2 2 360.458 0.314 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000267312673 488776608 /nfs/dbraw/zinc/77/66/08/488776608.db2.gz BCVYJWAQMGDJLM-MRXNPFEDSA-N 2 2 370.457 0.388 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000267312673 488776610 /nfs/dbraw/zinc/77/66/10/488776610.db2.gz BCVYJWAQMGDJLM-MRXNPFEDSA-N 2 2 370.457 0.388 20 0 FCADLP CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC000158270959 488776967 /nfs/dbraw/zinc/77/69/67/488776967.db2.gz IRVOAUCZDGEAAW-KZNAEPCWSA-N 2 2 351.491 0.998 20 0 FCADLP CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC000158270959 488776968 /nfs/dbraw/zinc/77/69/68/488776968.db2.gz IRVOAUCZDGEAAW-KZNAEPCWSA-N 2 2 351.491 0.998 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000277097907 488787648 /nfs/dbraw/zinc/78/76/48/488787648.db2.gz UXLLQEYBWGYOQZ-MRXNPFEDSA-N 2 2 373.461 0.589 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000267517006 488793174 /nfs/dbraw/zinc/79/31/74/488793174.db2.gz NXSYUQNXEQMASD-MRXNPFEDSA-N 2 2 361.490 0.880 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccsc1 ZINC000267530792 488794724 /nfs/dbraw/zinc/79/47/24/488794724.db2.gz VQNKMDBDFRJXRP-AWEZNQCLSA-N 2 2 367.519 0.942 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000162465235 488802679 /nfs/dbraw/zinc/80/26/79/488802679.db2.gz GAPYPZZQWYAGHI-QGZVFWFLSA-N 2 2 354.454 0.600 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000162465235 488802681 /nfs/dbraw/zinc/80/26/81/488802681.db2.gz GAPYPZZQWYAGHI-QGZVFWFLSA-N 2 2 354.454 0.600 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000554741522 491222669 /nfs/dbraw/zinc/22/26/69/491222669.db2.gz OOKBVNAJWQEMNJ-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000554741522 491222671 /nfs/dbraw/zinc/22/26/71/491222671.db2.gz OOKBVNAJWQEMNJ-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP COC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[NH2+]CC1 ZINC000163951061 488809726 /nfs/dbraw/zinc/80/97/26/488809726.db2.gz ZGBHHQDEWRRFKC-UHFFFAOYSA-N 2 2 357.458 0.747 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000166133871 488811429 /nfs/dbraw/zinc/81/14/29/488811429.db2.gz HQGQAJBGSNSPIK-BBRMVZONSA-N 2 2 368.503 0.935 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000166186983 488811649 /nfs/dbraw/zinc/81/16/49/488811649.db2.gz ZRQLZALXOIEOCZ-QGZVFWFLSA-N 2 2 360.458 0.829 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000168550614 488812796 /nfs/dbraw/zinc/81/27/96/488812796.db2.gz LHOQLHRDTDTIAM-QGZVFWFLSA-N 2 2 374.485 0.569 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000168551223 488812937 /nfs/dbraw/zinc/81/29/37/488812937.db2.gz NGMGDACZEQRECC-QGZVFWFLSA-N 2 2 362.474 0.697 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171097054 488819720 /nfs/dbraw/zinc/81/97/20/488819720.db2.gz SFPIQDFFSIIYLE-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171097054 488819721 /nfs/dbraw/zinc/81/97/21/488819721.db2.gz SFPIQDFFSIIYLE-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000171097054 488819722 /nfs/dbraw/zinc/81/97/22/488819722.db2.gz SFPIQDFFSIIYLE-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000171097054 488819723 /nfs/dbraw/zinc/81/97/23/488819723.db2.gz SFPIQDFFSIIYLE-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000172459080 488834369 /nfs/dbraw/zinc/83/43/69/488834369.db2.gz FZBKNHDTRVYGCE-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000172459080 488834371 /nfs/dbraw/zinc/83/43/71/488834371.db2.gz FZBKNHDTRVYGCE-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP Cc1noc(COCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000172748899 488837286 /nfs/dbraw/zinc/83/72/86/488837286.db2.gz NOFOFRXGBVAGNF-UHFFFAOYSA-N 2 2 365.478 0.961 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173657691 488844224 /nfs/dbraw/zinc/84/42/24/488844224.db2.gz FGKYHUOMQQPFKF-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000173961414 488846414 /nfs/dbraw/zinc/84/64/14/488846414.db2.gz IMLKWMIXPTYJRC-CABCVRRESA-N 2 2 363.506 0.465 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000173961414 488846415 /nfs/dbraw/zinc/84/64/15/488846415.db2.gz IMLKWMIXPTYJRC-CABCVRRESA-N 2 2 363.506 0.465 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000174544449 488849767 /nfs/dbraw/zinc/84/97/67/488849767.db2.gz UNGBPICRVSYIAU-INIZCTEOSA-N 2 2 351.495 0.467 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000174544449 488849768 /nfs/dbraw/zinc/84/97/68/488849768.db2.gz UNGBPICRVSYIAU-INIZCTEOSA-N 2 2 351.495 0.467 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174624471 488850163 /nfs/dbraw/zinc/85/01/63/488850163.db2.gz LONJXMQFONTRAY-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174624471 488850164 /nfs/dbraw/zinc/85/01/64/488850164.db2.gz LONJXMQFONTRAY-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cn21 ZINC000174822097 488851518 /nfs/dbraw/zinc/85/15/18/488851518.db2.gz SVVZCHAXWZWGRC-GOSISDBHSA-N 2 2 361.446 0.525 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC[N@H+](C)CCCOC)C2)CC1 ZINC000175738432 488855135 /nfs/dbraw/zinc/85/51/35/488855135.db2.gz ILNNAOZTUGRQBC-QGZVFWFLSA-N 2 2 355.527 0.376 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC[N@@H+](C)CCCOC)C2)CC1 ZINC000175738432 488855136 /nfs/dbraw/zinc/85/51/36/488855136.db2.gz ILNNAOZTUGRQBC-QGZVFWFLSA-N 2 2 355.527 0.376 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000175804161 488855660 /nfs/dbraw/zinc/85/56/60/488855660.db2.gz CJKPJALABQGQBX-JKSUJKDBSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000175817402 488855861 /nfs/dbraw/zinc/85/58/61/488855861.db2.gz DTTUGIHMGBXKJO-KZNAEPCWSA-N 2 2 367.538 0.232 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000175817402 488855862 /nfs/dbraw/zinc/85/58/62/488855862.db2.gz DTTUGIHMGBXKJO-KZNAEPCWSA-N 2 2 367.538 0.232 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000176211849 488857597 /nfs/dbraw/zinc/85/75/97/488857597.db2.gz CMEWLDWMIZAINO-INIZCTEOSA-N 2 2 356.511 0.896 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000176283776 488858048 /nfs/dbraw/zinc/85/80/48/488858048.db2.gz AVEVEWYOZGIBMM-QGZVFWFLSA-N 2 2 354.539 0.877 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000176283776 488858049 /nfs/dbraw/zinc/85/80/49/488858049.db2.gz AVEVEWYOZGIBMM-QGZVFWFLSA-N 2 2 354.539 0.877 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCNC(=O)c2ccco2)CC1 ZINC000177132111 488859149 /nfs/dbraw/zinc/85/91/49/488859149.db2.gz QJHFLEPIYFDDCM-UHFFFAOYSA-N 2 2 350.463 0.932 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000177138903 488859224 /nfs/dbraw/zinc/85/92/24/488859224.db2.gz KZCOBQPSKCZZGI-HOTGVXAUSA-N 2 2 364.490 0.304 20 0 FCADLP COCCOC[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179319578 488860967 /nfs/dbraw/zinc/86/09/67/488860967.db2.gz BEQGAFTVBIVTGP-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP COCCOC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179282879 488861092 /nfs/dbraw/zinc/86/10/92/488861092.db2.gz BXXMPVPLCUIDGC-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1C(=O)NCC[NH+]1CCOCC[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000179533215 488861515 /nfs/dbraw/zinc/86/15/15/488861515.db2.gz PEGTUXZUXLFYJL-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[C@H]1C(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)[C@@H]1CCC ZINC000179533215 488861516 /nfs/dbraw/zinc/86/15/16/488861516.db2.gz PEGTUXZUXLFYJL-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000288357733 488973784 /nfs/dbraw/zinc/97/37/84/488973784.db2.gz BLBZSZPFIHSPHE-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP COCCO[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642399 488980914 /nfs/dbraw/zinc/98/09/14/488980914.db2.gz RASGNYQLXCXFSL-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP COCCO[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364642399 488980918 /nfs/dbraw/zinc/98/09/18/488980918.db2.gz RASGNYQLXCXFSL-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000364677955 488984625 /nfs/dbraw/zinc/98/46/25/488984625.db2.gz OYIYIMIQDYDYFT-RTBURBONSA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000364677955 488984627 /nfs/dbraw/zinc/98/46/27/488984627.db2.gz OYIYIMIQDYDYFT-RTBURBONSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000364677955 488984629 /nfs/dbraw/zinc/98/46/29/488984629.db2.gz OYIYIMIQDYDYFT-RTBURBONSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000364677955 488984631 /nfs/dbraw/zinc/98/46/31/488984631.db2.gz OYIYIMIQDYDYFT-RTBURBONSA-N 2 2 361.486 0.980 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000554797000 491225847 /nfs/dbraw/zinc/22/58/47/491225847.db2.gz UYEBROSDFRINRE-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000554797000 491225850 /nfs/dbraw/zinc/22/58/50/491225850.db2.gz UYEBROSDFRINRE-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329261723 488986963 /nfs/dbraw/zinc/98/69/63/488986963.db2.gz BHDVMBDJLIBCBY-MRXNPFEDSA-N 2 2 364.490 0.006 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329261723 488986966 /nfs/dbraw/zinc/98/69/66/488986966.db2.gz BHDVMBDJLIBCBY-MRXNPFEDSA-N 2 2 364.490 0.006 20 0 FCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334823 488993958 /nfs/dbraw/zinc/99/39/58/488993958.db2.gz KXMWMNUGYAGWSO-YJBOKZPZSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334823 488993963 /nfs/dbraw/zinc/99/39/63/488993963.db2.gz KXMWMNUGYAGWSO-YJBOKZPZSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329334823 488993966 /nfs/dbraw/zinc/99/39/66/488993966.db2.gz KXMWMNUGYAGWSO-YJBOKZPZSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329334823 488993970 /nfs/dbraw/zinc/99/39/70/488993970.db2.gz KXMWMNUGYAGWSO-YJBOKZPZSA-N 2 2 353.507 0.933 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329335973 488994786 /nfs/dbraw/zinc/99/47/86/488994786.db2.gz XWHSCQCPUXULEP-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329335973 488994789 /nfs/dbraw/zinc/99/47/89/488994789.db2.gz XWHSCQCPUXULEP-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329335975 488994800 /nfs/dbraw/zinc/99/48/00/488994800.db2.gz XWHSCQCPUXULEP-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000329335975 488994803 /nfs/dbraw/zinc/99/48/03/488994803.db2.gz XWHSCQCPUXULEP-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329335976 488994839 /nfs/dbraw/zinc/99/48/39/488994839.db2.gz XWHSCQCPUXULEP-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000329335976 488994842 /nfs/dbraw/zinc/99/48/42/488994842.db2.gz XWHSCQCPUXULEP-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329387519 489000077 /nfs/dbraw/zinc/00/00/77/489000077.db2.gz QYHJFXUWFLIBAK-INIZCTEOSA-N 2 2 364.494 1.019 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329387519 489000081 /nfs/dbraw/zinc/00/00/81/489000081.db2.gz QYHJFXUWFLIBAK-INIZCTEOSA-N 2 2 364.494 1.019 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483409 489008504 /nfs/dbraw/zinc/00/85/04/489008504.db2.gz FFTGKSMSLUPATD-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CCO1 ZINC000329483409 489008507 /nfs/dbraw/zinc/00/85/07/489008507.db2.gz FFTGKSMSLUPATD-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329483409 489008511 /nfs/dbraw/zinc/00/85/11/489008511.db2.gz FFTGKSMSLUPATD-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329483409 489008514 /nfs/dbraw/zinc/00/85/14/489008514.db2.gz FFTGKSMSLUPATD-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911797 489016942 /nfs/dbraw/zinc/01/69/42/489016942.db2.gz IHQAGKIDNKIFCN-HOTGVXAUSA-N 2 2 368.503 0.029 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911797 489016943 /nfs/dbraw/zinc/01/69/43/489016943.db2.gz IHQAGKIDNKIFCN-HOTGVXAUSA-N 2 2 368.503 0.029 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000280794892 489032007 /nfs/dbraw/zinc/03/20/07/489032007.db2.gz FZENFDKJRFYPCG-UHFFFAOYSA-N 2 2 351.451 0.979 20 0 FCADLP CNS(=O)(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000281005267 489046247 /nfs/dbraw/zinc/04/62/47/489046247.db2.gz MZYVKLQJRAWZGY-UHFFFAOYSA-N 2 2 350.448 0.286 20 0 FCADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000570280657 491229910 /nfs/dbraw/zinc/22/99/10/491229910.db2.gz HDRYQYGYVBCNRO-ZNMIVQPWSA-N 2 2 360.462 0.136 20 0 FCADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000570280657 491229912 /nfs/dbraw/zinc/22/99/12/491229912.db2.gz HDRYQYGYVBCNRO-ZNMIVQPWSA-N 2 2 360.462 0.136 20 0 FCADLP C[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000329910924 489048739 /nfs/dbraw/zinc/04/87/39/489048739.db2.gz AEVMQUBHNXYQHE-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000289241377 489051858 /nfs/dbraw/zinc/05/18/58/489051858.db2.gz PKAIIGIRNKUHLX-HZPDHXFCSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000289241377 489051861 /nfs/dbraw/zinc/05/18/61/489051861.db2.gz PKAIIGIRNKUHLX-HZPDHXFCSA-N 2 2 355.442 0.893 20 0 FCADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000289265240 489054090 /nfs/dbraw/zinc/05/40/90/489054090.db2.gz WMZVCPZWOGFUSK-AEFFLSMTSA-N 2 2 363.506 0.843 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000365257921 489054725 /nfs/dbraw/zinc/05/47/25/489054725.db2.gz KPRLATAKRKZZQM-MRXNPFEDSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000365257921 489054728 /nfs/dbraw/zinc/05/47/28/489054728.db2.gz KPRLATAKRKZZQM-MRXNPFEDSA-N 3 2 353.511 0.176 20 0 FCADLP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000570334118 491234881 /nfs/dbraw/zinc/23/48/81/491234881.db2.gz CUMXQXJHNGVCGC-MRXNPFEDSA-N 2 2 370.457 0.694 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000563245054 491231601 /nfs/dbraw/zinc/23/16/01/491231601.db2.gz JFGMTTTWYGENOQ-ZBFHGGJFSA-N 2 2 368.503 0.331 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000365475360 489079827 /nfs/dbraw/zinc/07/98/27/489079827.db2.gz ZFYMVLZCVMXFTR-QGZVFWFLSA-N 2 2 366.506 0.605 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc[nH+]1 ZINC000365493751 489081017 /nfs/dbraw/zinc/08/10/17/489081017.db2.gz BEXNLNOYSMKTEW-BBWFWOEESA-N 2 2 361.490 0.863 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000365665094 489098153 /nfs/dbraw/zinc/09/81/53/489098153.db2.gz OPOAUYHQOLQSNB-OAHLLOKOSA-N 2 2 363.462 0.900 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000365665094 489098155 /nfs/dbraw/zinc/09/81/55/489098155.db2.gz OPOAUYHQOLQSNB-OAHLLOKOSA-N 2 2 363.462 0.900 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668332033 493332609 /nfs/dbraw/zinc/33/26/09/493332609.db2.gz ADGXZLDIRLMLDE-KRWDZBQOSA-N 2 2 355.442 0.780 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000668332033 493332610 /nfs/dbraw/zinc/33/26/10/493332610.db2.gz ADGXZLDIRLMLDE-KRWDZBQOSA-N 2 2 355.442 0.780 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000365898739 489124251 /nfs/dbraw/zinc/12/42/51/489124251.db2.gz XCNFYYYXLGUACS-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000365898739 489124252 /nfs/dbraw/zinc/12/42/52/489124252.db2.gz XCNFYYYXLGUACS-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000365898739 489124254 /nfs/dbraw/zinc/12/42/54/489124254.db2.gz XCNFYYYXLGUACS-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000365898739 489124256 /nfs/dbraw/zinc/12/42/56/489124256.db2.gz XCNFYYYXLGUACS-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000282008267 489124459 /nfs/dbraw/zinc/12/44/59/489124459.db2.gz JJHKRBKFUZECKQ-RBUKOAKNSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000282008267 489124461 /nfs/dbraw/zinc/12/44/61/489124461.db2.gz JJHKRBKFUZECKQ-RBUKOAKNSA-N 2 2 374.529 0.718 20 0 FCADLP O=C1NCCN1CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000290277621 489127220 /nfs/dbraw/zinc/12/72/20/489127220.db2.gz LZLZGSUFQCTKJD-GOSISDBHSA-N 2 2 372.517 0.941 20 0 FCADLP C[C@@H](O)c1ncc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000290292180 489128712 /nfs/dbraw/zinc/12/87/12/489128712.db2.gz HCODAVNMTHCYHV-CHWSQXEVSA-N 2 2 354.476 0.219 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000290386254 489135775 /nfs/dbraw/zinc/13/57/75/489135775.db2.gz HTABHIRJAJYLMV-OAHLLOKOSA-N 2 2 357.458 0.473 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415893 489138282 /nfs/dbraw/zinc/13/82/82/489138282.db2.gz JJSADDJFZSOVGC-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415893 489138286 /nfs/dbraw/zinc/13/82/86/489138286.db2.gz JJSADDJFZSOVGC-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000290459088 489141765 /nfs/dbraw/zinc/14/17/65/489141765.db2.gz TZMBOXGASHQIEL-SJORKVTESA-N 2 2 353.488 0.410 20 0 FCADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000290459083 489142024 /nfs/dbraw/zinc/14/20/24/489142024.db2.gz TZMBOXGASHQIEL-IAGOWNOFSA-N 2 2 353.488 0.410 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000290608725 489152616 /nfs/dbraw/zinc/15/26/16/489152616.db2.gz RQYXZQGECSULIW-PMPSAXMXSA-N 2 2 357.458 0.329 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000290608725 489152617 /nfs/dbraw/zinc/15/26/17/489152617.db2.gz RQYXZQGECSULIW-PMPSAXMXSA-N 2 2 357.458 0.329 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200474 489156802 /nfs/dbraw/zinc/15/68/02/489156802.db2.gz YOCDMYPLHRTIPD-ZWKOTPCHSA-N 2 2 367.538 0.421 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200474 489156805 /nfs/dbraw/zinc/15/68/05/489156805.db2.gz YOCDMYPLHRTIPD-ZWKOTPCHSA-N 2 2 367.538 0.421 20 0 FCADLP CS[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000330927878 489158187 /nfs/dbraw/zinc/15/81/87/489158187.db2.gz YRKRTUCFTGHVMS-UONOGXRCSA-N 2 2 351.538 0.016 20 0 FCADLP O=C(CCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000290723033 489160497 /nfs/dbraw/zinc/16/04/97/489160497.db2.gz WPAFPZAWQILYPD-SJORKVTESA-N 2 2 371.485 0.578 20 0 FCADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000282406689 489160997 /nfs/dbraw/zinc/16/09/97/489160997.db2.gz FPXMRLHAWWDHNR-KRWDZBQOSA-N 2 2 358.486 0.835 20 0 FCADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000282406689 489160998 /nfs/dbraw/zinc/16/09/98/489160998.db2.gz FPXMRLHAWWDHNR-KRWDZBQOSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1OCC[C@@]12CN(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308390 489169513 /nfs/dbraw/zinc/16/95/13/489169513.db2.gz HLTWTGRFNZARMR-TXPKVOOTSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1OCC[C@@]12CN(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCO2 ZINC000366308390 489169516 /nfs/dbraw/zinc/16/95/16/489169516.db2.gz HLTWTGRFNZARMR-TXPKVOOTSA-N 2 2 366.506 0.744 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000563324534 491236954 /nfs/dbraw/zinc/23/69/54/491236954.db2.gz UBFZRMATHGZSTB-QGZVFWFLSA-N 2 2 369.554 0.032 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000366376794 489175248 /nfs/dbraw/zinc/17/52/48/489175248.db2.gz HVEDZNRQBXNVEI-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000366376794 489175251 /nfs/dbraw/zinc/17/52/51/489175251.db2.gz HVEDZNRQBXNVEI-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1(C)C ZINC000282592192 489177202 /nfs/dbraw/zinc/17/72/02/489177202.db2.gz FJMSQMWMUKBBOB-INIZCTEOSA-N 2 2 360.506 0.986 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1(C)C ZINC000282592192 489177204 /nfs/dbraw/zinc/17/72/04/489177204.db2.gz FJMSQMWMUKBBOB-INIZCTEOSA-N 2 2 360.506 0.986 20 0 FCADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366465461 489186174 /nfs/dbraw/zinc/18/61/74/489186174.db2.gz XPMSBBYMHQKSHU-ROUUACIJSA-N 2 2 366.506 0.602 20 0 FCADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366465461 489186175 /nfs/dbraw/zinc/18/61/75/489186175.db2.gz XPMSBBYMHQKSHU-ROUUACIJSA-N 2 2 366.506 0.602 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366553467 489194000 /nfs/dbraw/zinc/19/40/00/489194000.db2.gz GZTSVJVBRGGVDR-CRAIPNDOSA-N 2 2 368.522 0.584 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366553467 489194003 /nfs/dbraw/zinc/19/40/03/489194003.db2.gz GZTSVJVBRGGVDR-CRAIPNDOSA-N 2 2 368.522 0.584 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348076 491238262 /nfs/dbraw/zinc/23/82/62/491238262.db2.gz HHSPPCNCPFWMFN-WCQYABFASA-N 2 2 352.460 0.035 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348076 491238264 /nfs/dbraw/zinc/23/82/64/491238264.db2.gz HHSPPCNCPFWMFN-WCQYABFASA-N 2 2 352.460 0.035 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331372486 489202761 /nfs/dbraw/zinc/20/27/61/489202761.db2.gz BRXYIVWZQYHKRS-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331372486 489202763 /nfs/dbraw/zinc/20/27/63/489202763.db2.gz BRXYIVWZQYHKRS-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCCn2cc[nH+]c2)o1 ZINC000283064099 489211475 /nfs/dbraw/zinc/21/14/75/489211475.db2.gz BHAIWOZCPRQBLP-UHFFFAOYSA-N 2 2 361.446 0.881 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000563370068 491239533 /nfs/dbraw/zinc/23/95/33/491239533.db2.gz OZNGRPUTRPJSHH-RHSMWYFYSA-N 2 2 362.478 0.771 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C2 ZINC000297649357 489218461 /nfs/dbraw/zinc/21/84/61/489218461.db2.gz JBXOFAJPXJOWGP-OKILXGFUSA-N 2 2 361.490 0.979 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C2 ZINC000297649357 489218462 /nfs/dbraw/zinc/21/84/62/489218462.db2.gz JBXOFAJPXJOWGP-OKILXGFUSA-N 2 2 361.490 0.979 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1C ZINC000332563626 489220683 /nfs/dbraw/zinc/22/06/83/489220683.db2.gz WDZIPXMAUAUIGO-HOTGVXAUSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@@H]1C ZINC000332563626 489220685 /nfs/dbraw/zinc/22/06/85/489220685.db2.gz WDZIPXMAUAUIGO-HOTGVXAUSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000332773284 489228268 /nfs/dbraw/zinc/22/82/68/489228268.db2.gz GJHNTVZWHDIWMI-KURKYZTESA-N 2 2 353.507 0.837 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000332773284 489228271 /nfs/dbraw/zinc/22/82/71/489228271.db2.gz GJHNTVZWHDIWMI-KURKYZTESA-N 2 2 353.507 0.837 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(C4OCCO4)CC3)C2)CC1 ZINC000369364419 489230208 /nfs/dbraw/zinc/23/02/08/489230208.db2.gz RQWISSKTMGAGOF-MRXNPFEDSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(C4OCCO4)CC3)C2)CC1 ZINC000369364419 489230211 /nfs/dbraw/zinc/23/02/11/489230211.db2.gz RQWISSKTMGAGOF-MRXNPFEDSA-N 2 2 366.506 0.949 20 0 FCADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000297733746 489232282 /nfs/dbraw/zinc/23/22/82/489232282.db2.gz CCAQTMGUIPRITK-UHFFFAOYSA-N 2 2 359.430 0.969 20 0 FCADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000297733746 489232285 /nfs/dbraw/zinc/23/22/85/489232285.db2.gz CCAQTMGUIPRITK-UHFFFAOYSA-N 2 2 359.430 0.969 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000283281709 489238130 /nfs/dbraw/zinc/23/81/30/489238130.db2.gz GQKNCVYBBIIZNY-CVEARBPZSA-N 2 2 365.478 0.253 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000283281709 489238134 /nfs/dbraw/zinc/23/81/34/489238134.db2.gz GQKNCVYBBIIZNY-CVEARBPZSA-N 2 2 365.478 0.253 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000332844154 489238163 /nfs/dbraw/zinc/23/81/63/489238163.db2.gz PWDMCQFQPRYXAU-ROUUACIJSA-N 2 2 353.507 0.839 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000332844154 489238165 /nfs/dbraw/zinc/23/81/65/489238165.db2.gz PWDMCQFQPRYXAU-ROUUACIJSA-N 2 2 353.507 0.839 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000332844156 489238252 /nfs/dbraw/zinc/23/82/52/489238252.db2.gz PWDMCQFQPRYXAU-ZWKOTPCHSA-N 2 2 353.507 0.839 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000332844156 489238254 /nfs/dbraw/zinc/23/82/54/489238254.db2.gz PWDMCQFQPRYXAU-ZWKOTPCHSA-N 2 2 353.507 0.839 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C[C@@H]21 ZINC000332896390 489243864 /nfs/dbraw/zinc/24/38/64/489243864.db2.gz LVLHZZCPNZVCOF-WNRNVDISSA-N 2 2 366.506 0.479 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C[C@@H]21 ZINC000332896390 489243866 /nfs/dbraw/zinc/24/38/66/489243866.db2.gz LVLHZZCPNZVCOF-WNRNVDISSA-N 2 2 366.506 0.479 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000332898190 489244398 /nfs/dbraw/zinc/24/43/98/489244398.db2.gz YVLNPCQAIZJDQR-CABCVRRESA-N 2 2 363.506 0.631 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000332898190 489244402 /nfs/dbraw/zinc/24/44/02/489244402.db2.gz YVLNPCQAIZJDQR-CABCVRRESA-N 2 2 363.506 0.631 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000369523803 489248896 /nfs/dbraw/zinc/24/88/96/489248896.db2.gz XTBQFEWGJOYSHN-BRWVUGGUSA-N 2 2 354.495 0.195 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@H]21 ZINC000332967695 489252245 /nfs/dbraw/zinc/25/22/45/489252245.db2.gz IBRSGGIFBOWSNZ-MSOLQXFVSA-N 2 2 359.474 0.770 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@H]21 ZINC000332967695 489252247 /nfs/dbraw/zinc/25/22/47/489252247.db2.gz IBRSGGIFBOWSNZ-MSOLQXFVSA-N 2 2 359.474 0.770 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H](CO)OC(C)(C)C3)CC2)CC1 ZINC000333746695 489263368 /nfs/dbraw/zinc/26/33/68/489263368.db2.gz NCKHAWKUDCZDHQ-KRWDZBQOSA-N 2 2 368.522 0.726 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000297932432 489264848 /nfs/dbraw/zinc/26/48/48/489264848.db2.gz CTGVKGVLACBGKU-UHFFFAOYSA-N 2 2 361.490 0.945 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369735486 489269556 /nfs/dbraw/zinc/26/95/56/489269556.db2.gz GRJCAFHPTVFWQU-MRXNPFEDSA-N 2 2 366.506 0.746 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369735486 489269558 /nfs/dbraw/zinc/26/95/58/489269558.db2.gz GRJCAFHPTVFWQU-MRXNPFEDSA-N 2 2 366.506 0.746 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467601 491243028 /nfs/dbraw/zinc/24/30/28/491243028.db2.gz CLLRRFILBRHUMS-BBRMVZONSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467601 491243030 /nfs/dbraw/zinc/24/30/30/491243030.db2.gz CLLRRFILBRHUMS-BBRMVZONSA-N 2 2 359.474 0.477 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000283551452 489274154 /nfs/dbraw/zinc/27/41/54/489274154.db2.gz LHAPCBPLTXCAJN-SFHVURJKSA-N 2 2 374.485 0.340 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000283551452 489274157 /nfs/dbraw/zinc/27/41/57/489274157.db2.gz LHAPCBPLTXCAJN-SFHVURJKSA-N 2 2 374.485 0.340 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000283664331 489288691 /nfs/dbraw/zinc/28/86/91/489288691.db2.gz URGFVFRMVKAIBE-UHFFFAOYSA-N 2 2 365.478 0.395 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283679966 489290387 /nfs/dbraw/zinc/29/03/87/489290387.db2.gz FVVWHMNYZIGKQW-OAHLLOKOSA-N 2 2 362.474 0.201 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(F)c1 ZINC000283709147 489294429 /nfs/dbraw/zinc/29/44/29/489294429.db2.gz CGRDDIISMKRKKI-UHFFFAOYSA-N 2 2 364.465 0.926 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(F)c1 ZINC000283709147 489294433 /nfs/dbraw/zinc/29/44/33/489294433.db2.gz CGRDDIISMKRKKI-UHFFFAOYSA-N 2 2 364.465 0.926 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c[nH+]1 ZINC000283860033 489298160 /nfs/dbraw/zinc/29/81/60/489298160.db2.gz KPUAMDKHJHZUBP-AWEZNQCLSA-N 2 2 358.446 0.945 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284242770 489304063 /nfs/dbraw/zinc/30/40/63/489304063.db2.gz FTTOGFKULWROGH-NVXWUHKLSA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284242770 489304066 /nfs/dbraw/zinc/30/40/66/489304066.db2.gz FTTOGFKULWROGH-NVXWUHKLSA-N 2 2 369.469 0.936 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCOc3ccc(C(N)=O)cc3)C2)CC1 ZINC000370113612 489316727 /nfs/dbraw/zinc/31/67/27/489316727.db2.gz RRDOVMNHRKMCOT-INIZCTEOSA-N 2 2 374.485 0.839 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCOc3ccc(C(N)=O)cc3)C2)CC1 ZINC000370113612 489316730 /nfs/dbraw/zinc/31/67/30/489316730.db2.gz RRDOVMNHRKMCOT-INIZCTEOSA-N 2 2 374.485 0.839 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149399 489320879 /nfs/dbraw/zinc/32/08/79/489320879.db2.gz OLECDVZPOIPKKW-NEWSRXKRSA-N 2 2 374.533 0.873 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149399 489320882 /nfs/dbraw/zinc/32/08/82/489320882.db2.gz OLECDVZPOIPKKW-NEWSRXKRSA-N 2 2 374.533 0.873 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149400 489320997 /nfs/dbraw/zinc/32/09/97/489320997.db2.gz OLECDVZPOIPKKW-NZSAHSFTSA-N 2 2 374.533 0.873 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370149400 489320999 /nfs/dbraw/zinc/32/09/99/489320999.db2.gz OLECDVZPOIPKKW-NZSAHSFTSA-N 2 2 374.533 0.873 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000570550217 491248648 /nfs/dbraw/zinc/24/86/48/491248648.db2.gz OWARHESXRGGBRM-CABCVRRESA-N 2 2 354.495 0.189 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000285975363 489340677 /nfs/dbraw/zinc/34/06/77/489340677.db2.gz NYCZAHRHYNTLPD-WMZOPIPTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000285975363 489340679 /nfs/dbraw/zinc/34/06/79/489340679.db2.gz NYCZAHRHYNTLPD-WMZOPIPTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000285975363 489340682 /nfs/dbraw/zinc/34/06/82/489340682.db2.gz NYCZAHRHYNTLPD-WMZOPIPTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000285975363 489340684 /nfs/dbraw/zinc/34/06/84/489340684.db2.gz NYCZAHRHYNTLPD-WMZOPIPTSA-N 2 2 374.485 0.166 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000286152726 489362125 /nfs/dbraw/zinc/36/21/25/489362125.db2.gz YBQVBJWMOLZNET-CZUORRHYSA-N 2 2 362.478 0.913 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000361718563 489363756 /nfs/dbraw/zinc/36/37/56/489363756.db2.gz OZBMSJBNRKUDSR-NVXWUHKLSA-N 2 2 362.478 0.576 20 0 FCADLP COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532286 489371779 /nfs/dbraw/zinc/37/17/79/489371779.db2.gz YBPKYLZETBXWGT-KBXCAEBGSA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532286 489371780 /nfs/dbraw/zinc/37/17/80/489371780.db2.gz YBPKYLZETBXWGT-KBXCAEBGSA-N 2 2 352.479 0.750 20 0 FCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3C[C@@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690496 489392467 /nfs/dbraw/zinc/39/24/67/489392467.db2.gz NLFNNAVYGPHDJL-DLBZAZTESA-N 2 2 353.470 1.512 20 0 FCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3C[C@@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690496 489392469 /nfs/dbraw/zinc/39/24/69/489392469.db2.gz NLFNNAVYGPHDJL-DLBZAZTESA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)c2C1 ZINC000362690496 489392471 /nfs/dbraw/zinc/39/24/71/489392471.db2.gz NLFNNAVYGPHDJL-DLBZAZTESA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)c2C1 ZINC000362690496 489392473 /nfs/dbraw/zinc/39/24/73/489392473.db2.gz NLFNNAVYGPHDJL-DLBZAZTESA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362880927 489403282 /nfs/dbraw/zinc/40/32/82/489403282.db2.gz QBHZVWGAQWSYBB-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363105550 489424706 /nfs/dbraw/zinc/42/47/06/489424706.db2.gz UVYOINMBRQYURG-GDBMZVCRSA-N 2 2 352.479 0.892 20 0 FCADLP COC(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363105550 489424709 /nfs/dbraw/zinc/42/47/09/489424709.db2.gz UVYOINMBRQYURG-GDBMZVCRSA-N 2 2 352.479 0.892 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1C ZINC000286782071 489428914 /nfs/dbraw/zinc/42/89/14/489428914.db2.gz IRCWCRNJZPMSIK-CQSZACIVSA-N 2 2 362.478 0.189 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1n1cc[nH+]c1 ZINC000286990704 489449964 /nfs/dbraw/zinc/44/99/64/489449964.db2.gz PSDODROILJRMAN-DZGCQCFKSA-N 2 2 373.461 0.409 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(CNC(N)=O)cc3)C2)CC1 ZINC000363338521 489454686 /nfs/dbraw/zinc/45/46/86/489454686.db2.gz HSESUBOGHZNQTA-INIZCTEOSA-N 2 2 359.474 0.753 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(CNC(N)=O)cc3)C2)CC1 ZINC000363338521 489454688 /nfs/dbraw/zinc/45/46/88/489454688.db2.gz HSESUBOGHZNQTA-INIZCTEOSA-N 2 2 359.474 0.753 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1C ZINC000287062559 489457015 /nfs/dbraw/zinc/45/70/15/489457015.db2.gz TZUIEVYWRLCWAC-ZDUSSCGKSA-N 2 2 359.434 0.579 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000363384133 489460839 /nfs/dbraw/zinc/46/08/39/489460839.db2.gz GMJGZGCGTLUQET-MRXNPFEDSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000363384133 489460842 /nfs/dbraw/zinc/46/08/42/489460842.db2.gz GMJGZGCGTLUQET-MRXNPFEDSA-N 2 2 369.473 0.886 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000363443110 489467538 /nfs/dbraw/zinc/46/75/38/489467538.db2.gz CBMUGXNXIDMHJV-FUHWJXTLSA-N 2 2 351.539 0.996 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363521012 489474920 /nfs/dbraw/zinc/47/49/20/489474920.db2.gz XCGZZPMXHLZQLV-INIZCTEOSA-N 2 2 369.506 0.879 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363521012 489474922 /nfs/dbraw/zinc/47/49/22/489474922.db2.gz XCGZZPMXHLZQLV-INIZCTEOSA-N 2 2 369.506 0.879 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000371307355 489476074 /nfs/dbraw/zinc/47/60/74/489476074.db2.gz DBSZSPZAPHLJAI-HNNXBMFYSA-N 2 2 369.473 0.744 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000371307355 489476076 /nfs/dbraw/zinc/47/60/76/489476076.db2.gz DBSZSPZAPHLJAI-HNNXBMFYSA-N 2 2 369.473 0.744 20 0 FCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371337179 489478421 /nfs/dbraw/zinc/47/84/21/489478421.db2.gz STUZUNOIRQCBCY-MSOLQXFVSA-N 2 2 354.539 0.877 20 0 FCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371337179 489478422 /nfs/dbraw/zinc/47/84/22/489478422.db2.gz STUZUNOIRQCBCY-MSOLQXFVSA-N 2 2 354.539 0.877 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371352111 489480010 /nfs/dbraw/zinc/48/00/10/489480010.db2.gz WUMICIIYKXBVCO-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000371550494 489487893 /nfs/dbraw/zinc/48/78/93/489487893.db2.gz KTBGYPIGWJNDHU-UHFFFAOYSA-N 2 2 374.445 0.551 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]([NH3+])c2cscn2)c1 ZINC000570679359 491257139 /nfs/dbraw/zinc/25/71/39/491257139.db2.gz LWNPAIPNPYUQOP-OAHLLOKOSA-N 2 2 361.471 0.751 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000555608875 491259290 /nfs/dbraw/zinc/25/92/90/491259290.db2.gz FMLVURFSAJJTQG-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000555608875 491259292 /nfs/dbraw/zinc/25/92/92/491259292.db2.gz FMLVURFSAJJTQG-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CN(C(=O)c1ccc2c(c1)C(=O)NC2=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371757068 489506197 /nfs/dbraw/zinc/50/61/97/489506197.db2.gz KCVPBGGFQZBZJG-OAHLLOKOSA-N 2 2 370.453 0.811 20 0 FCADLP CN(C(=O)c1ccc2c(c1)C(=O)NC2=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371757068 489506199 /nfs/dbraw/zinc/50/61/99/489506199.db2.gz KCVPBGGFQZBZJG-OAHLLOKOSA-N 2 2 370.453 0.811 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423247935 489507152 /nfs/dbraw/zinc/50/71/52/489507152.db2.gz MFOYEPJLLNRAKE-OAHLLOKOSA-N 2 2 360.458 0.160 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000423260340 489508354 /nfs/dbraw/zinc/50/83/54/489508354.db2.gz QBFQIEZDMWQYDR-WBVHZDCISA-N 2 2 374.485 0.850 20 0 FCADLP Nc1ccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)c[nH+]1 ZINC000414686474 489510880 /nfs/dbraw/zinc/51/08/80/489510880.db2.gz AYHAVOYGOVSAQB-UHFFFAOYSA-N 2 2 363.487 1.080 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000414703890 489511103 /nfs/dbraw/zinc/51/11/03/489511103.db2.gz VWAKKRLKAJXFKL-CYBMUJFWSA-N 2 2 353.426 1.165 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000414703890 489511107 /nfs/dbraw/zinc/51/11/07/489511107.db2.gz VWAKKRLKAJXFKL-CYBMUJFWSA-N 2 2 353.426 1.165 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423300602 489512718 /nfs/dbraw/zinc/51/27/18/489512718.db2.gz SAGARTZKABCJQY-OXJNMPFZSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423300602 489512722 /nfs/dbraw/zinc/51/27/22/489512722.db2.gz SAGARTZKABCJQY-OXJNMPFZSA-N 2 2 358.486 0.917 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000415379712 489516410 /nfs/dbraw/zinc/51/64/10/489516410.db2.gz OKTZYHUXOXEYHB-GOSISDBHSA-N 2 2 373.501 0.631 20 0 FCADLP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000415414468 489518554 /nfs/dbraw/zinc/51/85/54/489518554.db2.gz JRWSPMXDTAJOLV-SFHVURJKSA-N 2 2 362.478 0.964 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000415540003 489527950 /nfs/dbraw/zinc/52/79/50/489527950.db2.gz NIVCGWYKRLWHTK-SFHVURJKSA-N 2 2 373.501 0.616 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000415576777 489532326 /nfs/dbraw/zinc/53/23/26/489532326.db2.gz GQBZDYQURYCDGD-HXUWFJFHSA-N 2 2 374.485 0.963 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371994880 489532835 /nfs/dbraw/zinc/53/28/35/489532835.db2.gz YYIHHZPFTKZEPU-MSOLQXFVSA-N 2 2 352.523 0.774 20 0 FCADLP CCN1CC[NH+](CCC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371994880 489532837 /nfs/dbraw/zinc/53/28/37/489532837.db2.gz YYIHHZPFTKZEPU-MSOLQXFVSA-N 2 2 352.523 0.774 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCO1 ZINC000415598615 489534442 /nfs/dbraw/zinc/53/44/42/489534442.db2.gz KXYKYMFUWMOSEI-INIZCTEOSA-N 2 2 356.382 0.999 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415596475 489534587 /nfs/dbraw/zinc/53/45/87/489534587.db2.gz CJTTTYJOCIXJMG-UHFFFAOYSA-N 2 2 372.441 0.884 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c1)[NH+]1CCOCC1 ZINC000415606538 489536365 /nfs/dbraw/zinc/53/63/65/489536365.db2.gz JCZRASQOMIKSDK-GFCCVEGCSA-N 2 2 370.400 0.729 20 0 FCADLP C[C@](O)(CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000563655290 491261584 /nfs/dbraw/zinc/26/15/84/491261584.db2.gz GKHADPDJJJIVAL-FQEVSTJZSA-N 2 2 372.469 0.673 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000426041378 489553785 /nfs/dbraw/zinc/55/37/85/489553785.db2.gz DWQYUFGHCXIOPJ-HUUCEWRRSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000426041378 489553787 /nfs/dbraw/zinc/55/37/87/489553787.db2.gz DWQYUFGHCXIOPJ-HUUCEWRRSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1)[NH+]1CCOCC1 ZINC000415818997 489555144 /nfs/dbraw/zinc/55/51/44/489555144.db2.gz XOXQYGYGYMEKSR-KYJSFNMBSA-N 2 2 372.469 0.839 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138807 489556332 /nfs/dbraw/zinc/55/63/32/489556332.db2.gz JEIKWLBRANNZMR-STQMWFEESA-N 2 2 364.412 0.539 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138807 489556336 /nfs/dbraw/zinc/55/63/36/489556336.db2.gz JEIKWLBRANNZMR-STQMWFEESA-N 2 2 364.412 0.539 20 0 FCADLP CC1CC[NH+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426230668 489560243 /nfs/dbraw/zinc/56/02/43/489560243.db2.gz DVXKSLYODYFPQE-UHFFFAOYSA-N 2 2 353.511 0.700 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000415901464 489564631 /nfs/dbraw/zinc/56/46/31/489564631.db2.gz BQJXSGODERBGCH-UHFFFAOYSA-N 2 2 350.463 0.955 20 0 FCADLP CN(C)c1ccc(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)c[nH+]1 ZINC000415955267 489566151 /nfs/dbraw/zinc/56/61/51/489566151.db2.gz PSVIMOJKAKTOQL-UHFFFAOYSA-N 2 2 356.434 0.669 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)c1 ZINC000372312361 489569460 /nfs/dbraw/zinc/56/94/60/489569460.db2.gz WFIXUFFERHHICF-UXHICEINSA-N 2 2 372.513 0.874 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000372365140 489575985 /nfs/dbraw/zinc/57/59/85/489575985.db2.gz INLHFKZGKMUAIL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000372365140 489575989 /nfs/dbraw/zinc/57/59/89/489575989.db2.gz INLHFKZGKMUAIL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000372365140 489575991 /nfs/dbraw/zinc/57/59/91/489575991.db2.gz INLHFKZGKMUAIL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000372365140 489575994 /nfs/dbraw/zinc/57/59/94/489575994.db2.gz INLHFKZGKMUAIL-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000454823728 489578023 /nfs/dbraw/zinc/57/80/23/489578023.db2.gz ICEVLZLSUTUKLG-INIZCTEOSA-N 2 2 364.494 1.211 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000454823728 489578027 /nfs/dbraw/zinc/57/80/27/489578027.db2.gz ICEVLZLSUTUKLG-INIZCTEOSA-N 2 2 364.494 1.211 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000570786188 491264470 /nfs/dbraw/zinc/26/44/70/491264470.db2.gz SEVBCVUVTIWJOP-IJEWVQPXSA-N 2 2 355.442 0.835 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555671264 491264575 /nfs/dbraw/zinc/26/45/75/491264575.db2.gz ZUKCNVZQODCELN-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000555670198 491264577 /nfs/dbraw/zinc/26/45/77/491264577.db2.gz KFEPOEQHNWKKFQ-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000555670199 491264643 /nfs/dbraw/zinc/26/46/43/491264643.db2.gz KFEPOEQHNWKKFQ-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416306827 489581768 /nfs/dbraw/zinc/58/17/68/489581768.db2.gz HYYZQVKCANHIMR-UHFFFAOYSA-N 2 2 353.488 0.846 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000455611342 489596537 /nfs/dbraw/zinc/59/65/37/489596537.db2.gz LUFBAMMBWAYZTI-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000455611342 489596541 /nfs/dbraw/zinc/59/65/41/489596541.db2.gz LUFBAMMBWAYZTI-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP CC[NH+]1CCN(CCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000372563282 489599901 /nfs/dbraw/zinc/59/99/01/489599901.db2.gz JRVVNGOZOQBNIH-UHFFFAOYSA-N 2 2 364.494 0.181 20 0 FCADLP CCOC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)([NH+]2CCOCC2)C1 ZINC000427447919 489608901 /nfs/dbraw/zinc/60/89/01/489608901.db2.gz CGUNVRABSGNSJH-HFCFLWKCSA-N 2 2 351.491 0.999 20 0 FCADLP CCOC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)([NH+]2CCOCC2)C1 ZINC000427447919 489608903 /nfs/dbraw/zinc/60/89/03/489608903.db2.gz CGUNVRABSGNSJH-HFCFLWKCSA-N 2 2 351.491 0.999 20 0 FCADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000555724441 491267457 /nfs/dbraw/zinc/26/74/57/491267457.db2.gz UJMQSEOIGHNGCN-SFHVURJKSA-N 2 2 369.469 0.980 20 0 FCADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000555724441 491267461 /nfs/dbraw/zinc/26/74/61/491267461.db2.gz UJMQSEOIGHNGCN-SFHVURJKSA-N 2 2 369.469 0.980 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000416808575 489630114 /nfs/dbraw/zinc/63/01/14/489630114.db2.gz IIWAJPMMEZXBEC-GJZGRUSLSA-N 2 2 363.462 0.488 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038744 489634296 /nfs/dbraw/zinc/63/42/96/489634296.db2.gz ARYMZSYKJDYBMB-CABCVRRESA-N 2 2 362.499 0.716 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038744 489634298 /nfs/dbraw/zinc/63/42/98/489634298.db2.gz ARYMZSYKJDYBMB-CABCVRRESA-N 2 2 362.499 0.716 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCOCC2)c1 ZINC000416986956 489638239 /nfs/dbraw/zinc/63/82/39/489638239.db2.gz AXZDNFMFGYUENY-QGZVFWFLSA-N 2 2 350.463 0.331 20 0 FCADLP CC[C@@H]1CN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000372823641 489639847 /nfs/dbraw/zinc/63/98/47/489639847.db2.gz JBQKHUAQLYQPBI-JFIYKMOQSA-N 2 2 361.490 0.990 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417049281 489639896 /nfs/dbraw/zinc/63/98/96/489639896.db2.gz ZIJNXNKXQGJWLA-UHFFFAOYSA-N 2 2 359.396 0.841 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000417068266 489640720 /nfs/dbraw/zinc/64/07/20/489640720.db2.gz DWFJSNGPCICZLB-MRXNPFEDSA-N 2 2 374.489 0.737 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@H]1C[NH3+] ZINC000417256665 489645712 /nfs/dbraw/zinc/64/57/12/489645712.db2.gz GRXFWZHHFAPHRV-VYDXJSESSA-N 2 2 356.536 0.821 20 0 FCADLP CC(C)([NH3+])CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417297148 489647008 /nfs/dbraw/zinc/64/70/08/489647008.db2.gz NQNXHJFOCCSZFK-UHFFFAOYSA-N 2 2 350.463 0.934 20 0 FCADLP CC[NH2+]CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417303819 489647441 /nfs/dbraw/zinc/64/74/41/489647441.db2.gz YLFYVBHJBZRKDA-UHFFFAOYSA-N 2 2 350.463 0.806 20 0 FCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417305417 489647538 /nfs/dbraw/zinc/64/75/38/489647538.db2.gz AUTLFYRYYMGSMV-GJZGRUSLSA-N 2 2 350.463 0.933 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457588723 489650043 /nfs/dbraw/zinc/65/00/43/489650043.db2.gz CQVSYYQOLPMDKZ-KURKYZTESA-N 2 2 368.522 0.896 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457588723 489650044 /nfs/dbraw/zinc/65/00/44/489650044.db2.gz CQVSYYQOLPMDKZ-KURKYZTESA-N 2 2 368.522 0.896 20 0 FCADLP CC(C)([NH3+])CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417616618 489659848 /nfs/dbraw/zinc/65/98/48/489659848.db2.gz BFKLGYZSBUJNEE-UHFFFAOYSA-N 2 2 353.511 0.747 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1c(F)cccc1F ZINC000417789188 489665945 /nfs/dbraw/zinc/66/59/45/489665945.db2.gz UTFAUYIDOLBYJH-MLGOLLRUSA-N 2 2 366.412 0.635 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428989571 489669564 /nfs/dbraw/zinc/66/95/64/489669564.db2.gz DTZFJYXHTFUBSB-AWEZNQCLSA-N 2 2 357.458 0.912 20 0 FCADLP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429125486 489673744 /nfs/dbraw/zinc/67/37/44/489673744.db2.gz DZFSRTXQPWTZFN-LPHOPBHVSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429125486 489673747 /nfs/dbraw/zinc/67/37/47/489673747.db2.gz DZFSRTXQPWTZFN-LPHOPBHVSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000458393558 489680112 /nfs/dbraw/zinc/68/01/12/489680112.db2.gz ULWFEEKBRPOFDY-UHFFFAOYSA-N 2 2 357.568 0.751 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000458393558 489680117 /nfs/dbraw/zinc/68/01/17/489680117.db2.gz ULWFEEKBRPOFDY-UHFFFAOYSA-N 2 2 357.568 0.751 20 0 FCADLP COC[C@@]1(C(=O)OC)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458604638 489690930 /nfs/dbraw/zinc/69/09/30/489690930.db2.gz VPOIWLKEDKSKFO-GOSISDBHSA-N 2 2 370.494 0.234 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000469275930 489699575 /nfs/dbraw/zinc/69/95/75/489699575.db2.gz UPQHVMZSDPNZAL-UHFFFAOYSA-N 2 2 366.462 0.730 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000429791578 489701436 /nfs/dbraw/zinc/70/14/36/489701436.db2.gz WLOFAMHLCFMJTQ-INIZCTEOSA-N 2 2 357.458 0.832 20 0 FCADLP O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000489645216 489722490 /nfs/dbraw/zinc/72/24/90/489722490.db2.gz FIKVQRFAVQGUFX-UHFFFAOYSA-N 2 2 372.473 0.387 20 0 FCADLP C[N@@H+]1CCN(CCC[NH2+]Cc2cn(CC(N)=O)nn2)[C@@H](c2ccccc2)C1 ZINC000459370825 489729090 /nfs/dbraw/zinc/72/90/90/489729090.db2.gz RNYPBYUOFJQHSX-GOSISDBHSA-N 2 2 371.489 0.232 20 0 FCADLP C[N@H+]1CCN(CCC[NH2+]Cc2cn(CC(N)=O)nn2)[C@@H](c2ccccc2)C1 ZINC000459370825 489729094 /nfs/dbraw/zinc/72/90/94/489729094.db2.gz RNYPBYUOFJQHSX-GOSISDBHSA-N 2 2 371.489 0.232 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@H](O)C(F)(F)F ZINC000430310283 489729954 /nfs/dbraw/zinc/72/99/54/489729954.db2.gz ZLDCLYZPMSYEFE-KBPBESRZSA-N 2 2 356.348 0.841 20 0 FCADLP CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000430311880 489730067 /nfs/dbraw/zinc/73/00/67/489730067.db2.gz MCXDSJGLIUKMFK-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489859881 489731671 /nfs/dbraw/zinc/73/16/71/489731671.db2.gz RBFOMXJBILJBHL-CYBMUJFWSA-N 2 2 354.476 0.784 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489859881 489731675 /nfs/dbraw/zinc/73/16/75/489731675.db2.gz RBFOMXJBILJBHL-CYBMUJFWSA-N 2 2 354.476 0.784 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1SC ZINC000459459821 489733231 /nfs/dbraw/zinc/73/32/31/489733231.db2.gz ICPFPHYNXUGQAU-DLTWYDFYSA-N 2 2 357.520 0.418 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000489912430 489734838 /nfs/dbraw/zinc/73/48/38/489734838.db2.gz VPXATRBYIQYLPX-AWEZNQCLSA-N 2 2 366.487 0.426 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000489912430 489734842 /nfs/dbraw/zinc/73/48/42/489734842.db2.gz VPXATRBYIQYLPX-AWEZNQCLSA-N 2 2 366.487 0.426 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCOc1ccc(Cl)cc1 ZINC000489931640 489735859 /nfs/dbraw/zinc/73/58/59/489735859.db2.gz GEJHBQVLCJJWGD-INIZCTEOSA-N 2 2 366.893 0.815 20 0 FCADLP CCOCc1ccc(CNC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000489940880 489736525 /nfs/dbraw/zinc/73/65/25/489736525.db2.gz JQKZZAIRSUPPPK-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000489943576 489736804 /nfs/dbraw/zinc/73/68/04/489736804.db2.gz UFXZKTXEBAJFLE-GOSISDBHSA-N 3 2 372.517 0.100 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489961302 489737873 /nfs/dbraw/zinc/73/78/73/489737873.db2.gz YJHFFVAHUGUEGX-RDJZCZTQSA-N 2 2 359.474 0.380 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000489960777 489737938 /nfs/dbraw/zinc/73/79/38/489737938.db2.gz YCIYVUACUGLDTA-QGZVFWFLSA-N 2 2 359.474 0.931 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000430470223 489739116 /nfs/dbraw/zinc/73/91/16/489739116.db2.gz GKUFFSOVPMPAJI-WMZOPIPTSA-N 2 2 369.469 0.928 20 0 FCADLP CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376476776 489740800 /nfs/dbraw/zinc/74/08/00/489740800.db2.gz JUBVYTDSWMNWJZ-SJLPKXTDSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376476776 489740801 /nfs/dbraw/zinc/74/08/01/489740801.db2.gz JUBVYTDSWMNWJZ-SJLPKXTDSA-N 2 2 350.507 0.966 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418831581 489744548 /nfs/dbraw/zinc/74/45/48/489744548.db2.gz KYJJYGJTRJWOSC-ROUUACIJSA-N 2 2 374.485 0.343 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418831581 489744553 /nfs/dbraw/zinc/74/45/53/489744553.db2.gz KYJJYGJTRJWOSC-ROUUACIJSA-N 2 2 374.485 0.343 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCN1C(=O)CCC1=O ZINC000430536484 489745154 /nfs/dbraw/zinc/74/51/54/489745154.db2.gz DHHWCZFTWKUTAO-INIZCTEOSA-N 2 2 369.425 0.066 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430558877 489745926 /nfs/dbraw/zinc/74/59/26/489745926.db2.gz ZBOSPJLTWRXQMG-HNNXBMFYSA-N 2 2 358.464 0.244 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430552791 489746096 /nfs/dbraw/zinc/74/60/96/489746096.db2.gz BTRUXFKMZITCLK-NEPJUHHUSA-N 2 2 370.475 0.340 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430552791 489746099 /nfs/dbraw/zinc/74/60/99/489746099.db2.gz BTRUXFKMZITCLK-NEPJUHHUSA-N 2 2 370.475 0.340 20 0 FCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000430560437 489746291 /nfs/dbraw/zinc/74/62/91/489746291.db2.gz WFDMQNZDLISWQX-FQEVSTJZSA-N 3 2 360.502 0.852 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835524 489747111 /nfs/dbraw/zinc/74/71/11/489747111.db2.gz PWNFFKCXEYLOPX-QZTJIDSGSA-N 2 2 374.485 0.072 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835524 489747116 /nfs/dbraw/zinc/74/71/16/489747116.db2.gz PWNFFKCXEYLOPX-QZTJIDSGSA-N 2 2 374.485 0.072 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564512 489747125 /nfs/dbraw/zinc/74/71/25/489747125.db2.gz BNTQJMSSTHTYRS-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564512 489747126 /nfs/dbraw/zinc/74/71/26/489747126.db2.gz BNTQJMSSTHTYRS-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474248773 489749146 /nfs/dbraw/zinc/74/91/46/489749146.db2.gz QKYROWAMEQYJFD-HNNXBMFYSA-N 2 2 358.446 0.721 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474248773 489749151 /nfs/dbraw/zinc/74/91/51/489749151.db2.gz QKYROWAMEQYJFD-HNNXBMFYSA-N 2 2 358.446 0.721 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000430589416 489749461 /nfs/dbraw/zinc/74/94/61/489749461.db2.gz AKMGMABGUSRIGU-KGLIPLIRSA-N 2 2 368.503 0.901 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000430589416 489749465 /nfs/dbraw/zinc/74/94/65/489749465.db2.gz AKMGMABGUSRIGU-KGLIPLIRSA-N 2 2 368.503 0.901 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)cn2c1 ZINC000418841625 489750958 /nfs/dbraw/zinc/75/09/58/489750958.db2.gz FKFHZZDQFYVBPO-UHFFFAOYSA-N 2 2 355.442 0.861 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000418844783 489752974 /nfs/dbraw/zinc/75/29/74/489752974.db2.gz LCOORXZWMJODDM-NUEKZKHPSA-N 2 2 355.442 0.845 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000459804478 489754579 /nfs/dbraw/zinc/75/45/79/489754579.db2.gz CZWZCRDRLZOTRU-ROUUACIJSA-N 2 2 373.501 0.697 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000459804478 489754585 /nfs/dbraw/zinc/75/45/85/489754585.db2.gz CZWZCRDRLZOTRU-ROUUACIJSA-N 2 2 373.501 0.697 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000418848532 489754701 /nfs/dbraw/zinc/75/47/01/489754701.db2.gz LOLINFWCSIPZKX-MRXNPFEDSA-N 2 2 360.458 0.380 20 0 FCADLP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623026 489755952 /nfs/dbraw/zinc/75/59/52/489755952.db2.gz GGFPTIUMZZWUCY-AWEZNQCLSA-N 2 2 369.487 0.256 20 0 FCADLP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623026 489755957 /nfs/dbraw/zinc/75/59/57/489755957.db2.gz GGFPTIUMZZWUCY-AWEZNQCLSA-N 2 2 369.487 0.256 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000555856816 491277095 /nfs/dbraw/zinc/27/70/95/491277095.db2.gz XSZOTYOVBNAKAG-QGZVFWFLSA-N 2 2 370.538 0.506 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634674 489759599 /nfs/dbraw/zinc/75/95/99/489759599.db2.gz DXRYSOFJMVSIKX-OLZOCXBDSA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634674 489759605 /nfs/dbraw/zinc/75/96/05/489759605.db2.gz DXRYSOFJMVSIKX-OLZOCXBDSA-N 2 2 354.476 0.592 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCOCC1 ZINC000555856489 491277113 /nfs/dbraw/zinc/27/71/13/491277113.db2.gz QAJNYZJOSQPIEI-INIZCTEOSA-N 2 2 356.511 0.258 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430642745 489762422 /nfs/dbraw/zinc/76/24/22/489762422.db2.gz KTLYTSAAJNXTSM-OAHLLOKOSA-N 2 2 364.515 0.964 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430642745 489762429 /nfs/dbraw/zinc/76/24/29/489762429.db2.gz KTLYTSAAJNXTSM-OAHLLOKOSA-N 2 2 364.515 0.964 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647524 489762500 /nfs/dbraw/zinc/76/25/00/489762500.db2.gz QFXOVYIFAMBJJI-ZIAGYGMSSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647524 489762505 /nfs/dbraw/zinc/76/25/05/489762505.db2.gz QFXOVYIFAMBJJI-ZIAGYGMSSA-N 2 2 350.438 0.790 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1S(=O)(=O)N(C)C ZINC000430653792 489762982 /nfs/dbraw/zinc/76/29/82/489762982.db2.gz ZVXIQJGKACIXJS-UHFFFAOYSA-N 2 2 368.503 0.868 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1S(=O)(=O)N(C)C ZINC000430653792 489762986 /nfs/dbraw/zinc/76/29/86/489762986.db2.gz ZVXIQJGKACIXJS-UHFFFAOYSA-N 2 2 368.503 0.868 20 0 FCADLP CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474581022 489771131 /nfs/dbraw/zinc/77/11/31/489771131.db2.gz MPAYIHQONNYDIN-CABCVRRESA-N 2 2 350.467 0.519 20 0 FCADLP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474581022 489771135 /nfs/dbraw/zinc/77/11/35/489771135.db2.gz MPAYIHQONNYDIN-CABCVRRESA-N 2 2 350.467 0.519 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000459859648 489771879 /nfs/dbraw/zinc/77/18/79/489771879.db2.gz FNNPTKZXKXSFSQ-UHFFFAOYSA-N 2 2 369.554 0.129 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000418879996 489772078 /nfs/dbraw/zinc/77/20/78/489772078.db2.gz UUAXFYVTSZYHCL-SWLSCSKDSA-N 2 2 368.865 0.245 20 0 FCADLP Cc1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000430834819 489773510 /nfs/dbraw/zinc/77/35/10/489773510.db2.gz AOLPKBLFAIEPND-UHFFFAOYSA-N 2 2 350.467 0.352 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000418883518 489774626 /nfs/dbraw/zinc/77/46/26/489774626.db2.gz CLMJJYKTFWEIJD-HNNXBMFYSA-N 2 2 357.458 0.919 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418887233 489775568 /nfs/dbraw/zinc/77/55/68/489775568.db2.gz AYDZHQGDRIUYHN-PBHICJAKSA-N 2 2 355.442 0.804 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924611 489776978 /nfs/dbraw/zinc/77/69/78/489776978.db2.gz AWQFMVAJBFYJMU-DZGCQCFKSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924611 489776982 /nfs/dbraw/zinc/77/69/82/489776982.db2.gz AWQFMVAJBFYJMU-DZGCQCFKSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418889065 489777030 /nfs/dbraw/zinc/77/70/30/489777030.db2.gz PICNHJUGMXMXCZ-HOTGVXAUSA-N 2 2 369.469 0.919 20 0 FCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430920142 489777160 /nfs/dbraw/zinc/77/71/60/489777160.db2.gz TVTKGSLJTYBROG-AWEZNQCLSA-N 2 2 366.487 0.690 20 0 FCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430920142 489777165 /nfs/dbraw/zinc/77/71/65/489777165.db2.gz TVTKGSLJTYBROG-AWEZNQCLSA-N 2 2 366.487 0.690 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000430925808 489777732 /nfs/dbraw/zinc/77/77/32/489777732.db2.gz MPAHPGMNYXPTOQ-MRXNPFEDSA-N 2 2 358.486 0.949 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000430925808 489777736 /nfs/dbraw/zinc/77/77/36/489777736.db2.gz MPAHPGMNYXPTOQ-MRXNPFEDSA-N 2 2 358.486 0.949 20 0 FCADLP CCN1CCN(C(=O)NCCC[N@H+](C)CCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474670347 489778365 /nfs/dbraw/zinc/77/83/65/489778365.db2.gz SJRZCLCNGSDRQH-OAHLLOKOSA-N 2 2 352.483 0.766 20 0 FCADLP CCN1CCN(C(=O)NCCC[N@@H+](C)CCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474670347 489778368 /nfs/dbraw/zinc/77/83/68/489778368.db2.gz SJRZCLCNGSDRQH-OAHLLOKOSA-N 2 2 352.483 0.766 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000459880975 489779413 /nfs/dbraw/zinc/77/94/13/489779413.db2.gz AVAOQMRCHBRSDH-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000376705539 489780173 /nfs/dbraw/zinc/78/01/73/489780173.db2.gz FOZHHGFLPUKADV-IXDOHACOSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000376705539 489780176 /nfs/dbraw/zinc/78/01/76/489780176.db2.gz FOZHHGFLPUKADV-IXDOHACOSA-N 3 2 367.538 0.251 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430945389 489780420 /nfs/dbraw/zinc/78/04/20/489780420.db2.gz WZFZNUQDZPJGCG-CQSZACIVSA-N 2 2 368.503 0.936 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430945389 489780423 /nfs/dbraw/zinc/78/04/23/489780423.db2.gz WZFZNUQDZPJGCG-CQSZACIVSA-N 2 2 368.503 0.936 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952309 489780628 /nfs/dbraw/zinc/78/06/28/489780628.db2.gz PGNVVJOYTFEVCP-ZIAGYGMSSA-N 2 2 368.503 0.805 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952309 489780631 /nfs/dbraw/zinc/78/06/31/489780631.db2.gz PGNVVJOYTFEVCP-ZIAGYGMSSA-N 2 2 368.503 0.805 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430942146 489780917 /nfs/dbraw/zinc/78/09/17/489780917.db2.gz KUMVKLPIFVGFAN-ZBFHGGJFSA-N 2 2 359.536 0.861 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968805 489782892 /nfs/dbraw/zinc/78/28/92/489782892.db2.gz XKSDAPVWCOFOGE-UKRRQHHQSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968805 489782896 /nfs/dbraw/zinc/78/28/96/489782896.db2.gz XKSDAPVWCOFOGE-UKRRQHHQSA-N 2 2 352.504 0.882 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000431008341 489784598 /nfs/dbraw/zinc/78/45/98/489784598.db2.gz RQKDBFWSBGLGNB-MAUKXSAKSA-N 2 2 374.485 0.850 20 0 FCADLP COCC[C@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]C1 ZINC000431051531 489786477 /nfs/dbraw/zinc/78/64/77/489786477.db2.gz PJTATFOHANSXLA-SJORKVTESA-N 2 2 357.520 0.327 20 0 FCADLP COCC[C@@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]C1 ZINC000431051526 489787084 /nfs/dbraw/zinc/78/70/84/489787084.db2.gz PJTATFOHANSXLA-DLBZAZTESA-N 2 2 357.520 0.327 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000570921398 491273376 /nfs/dbraw/zinc/27/33/76/491273376.db2.gz ZNJPQDAPEUWDBS-POGZOPGASA-N 2 2 355.523 0.424 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000459909635 489788420 /nfs/dbraw/zinc/78/84/20/489788420.db2.gz BJWHXOJKUGTTCC-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000418915383 489789575 /nfs/dbraw/zinc/78/95/75/489789575.db2.gz ZGIPXPJJMNHLLO-YJBOKZPZSA-N 2 2 369.469 0.991 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987433 489791366 /nfs/dbraw/zinc/79/13/66/489791366.db2.gz LQDMQIUMZFXZDD-HKUYNNGSSA-N 2 2 372.513 0.943 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987433 489791371 /nfs/dbraw/zinc/79/13/71/489791371.db2.gz LQDMQIUMZFXZDD-HKUYNNGSSA-N 2 2 372.513 0.943 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000459922403 489795380 /nfs/dbraw/zinc/79/53/80/489795380.db2.gz PWSVVWZMSXYQCP-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000491189373 489797484 /nfs/dbraw/zinc/79/74/84/489797484.db2.gz VKQJGFZFOJXCGE-QBIMZIAESA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000491189373 489797489 /nfs/dbraw/zinc/79/74/89/489797489.db2.gz VKQJGFZFOJXCGE-QBIMZIAESA-N 2 2 360.462 0.477 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418944351 489799200 /nfs/dbraw/zinc/79/92/00/489799200.db2.gz NNGBVQYZSWKUOW-CQSZACIVSA-N 2 2 352.504 0.856 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418944351 489799203 /nfs/dbraw/zinc/79/92/03/489799203.db2.gz NNGBVQYZSWKUOW-CQSZACIVSA-N 2 2 352.504 0.856 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC000459939493 489800483 /nfs/dbraw/zinc/80/04/83/489800483.db2.gz VSCPPENOCGTSOS-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC000459939493 489800487 /nfs/dbraw/zinc/80/04/87/489800487.db2.gz VSCPPENOCGTSOS-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000459947401 489802048 /nfs/dbraw/zinc/80/20/48/489802048.db2.gz HJYGOLBCVQLYRV-UHFFFAOYSA-N 2 2 373.432 0.955 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968571 491280513 /nfs/dbraw/zinc/28/05/13/491280513.db2.gz DHNLVJNWLWVEKQ-GOEBONIOSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968571 491280514 /nfs/dbraw/zinc/28/05/14/491280514.db2.gz DHNLVJNWLWVEKQ-GOEBONIOSA-N 2 2 373.519 0.527 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459994782 489811761 /nfs/dbraw/zinc/81/17/61/489811761.db2.gz MOYUCOFRAJRVJT-KRWDZBQOSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459994782 489811763 /nfs/dbraw/zinc/81/17/63/489811763.db2.gz MOYUCOFRAJRVJT-KRWDZBQOSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000459995582 489813312 /nfs/dbraw/zinc/81/33/12/489813312.db2.gz YSKFFPHZXZPMAM-RDJZCZTQSA-N 2 2 368.522 0.090 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000459995582 489813316 /nfs/dbraw/zinc/81/33/16/489813316.db2.gz YSKFFPHZXZPMAM-RDJZCZTQSA-N 2 2 368.522 0.090 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000460001501 489815215 /nfs/dbraw/zinc/81/52/15/489815215.db2.gz YRNWHXBGIBFDDK-WBVHZDCISA-N 2 2 360.458 0.862 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000460001501 489815220 /nfs/dbraw/zinc/81/52/20/489815220.db2.gz YRNWHXBGIBFDDK-WBVHZDCISA-N 2 2 360.458 0.862 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419005862 489815417 /nfs/dbraw/zinc/81/54/17/489815417.db2.gz PLHODCPGEDXFRQ-KRWDZBQOSA-N 2 2 362.474 0.595 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419005862 489815419 /nfs/dbraw/zinc/81/54/19/489815419.db2.gz PLHODCPGEDXFRQ-KRWDZBQOSA-N 2 2 362.474 0.595 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460005926 489815926 /nfs/dbraw/zinc/81/59/26/489815926.db2.gz WFRBUTASFNQMCR-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460005926 489815932 /nfs/dbraw/zinc/81/59/32/489815932.db2.gz WFRBUTASFNQMCR-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419022185 489821274 /nfs/dbraw/zinc/82/12/74/489821274.db2.gz HWGTZEBRJHQZEI-CQSZACIVSA-N 2 2 359.405 0.967 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000571038264 491281328 /nfs/dbraw/zinc/28/13/28/491281328.db2.gz CKXFAFHRPGZLCY-OAHLLOKOSA-N 2 2 350.488 0.603 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000431954290 489824991 /nfs/dbraw/zinc/82/49/91/489824991.db2.gz PSGAXPAJWMIBJR-CYBMUJFWSA-N 2 2 363.462 0.622 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000432001627 489825520 /nfs/dbraw/zinc/82/55/20/489825520.db2.gz YKYXBGJTFLADJZ-UHFFFAOYSA-N 2 2 363.462 0.622 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000432001627 489825523 /nfs/dbraw/zinc/82/55/23/489825523.db2.gz YKYXBGJTFLADJZ-UHFFFAOYSA-N 2 2 363.462 0.622 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@@H+]1CC(C)(C)O ZINC000376969472 489826990 /nfs/dbraw/zinc/82/69/90/489826990.db2.gz WAOOAOBNWNVDRC-WBVHZDCISA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@H+]1CC(C)(C)O ZINC000376969472 489826996 /nfs/dbraw/zinc/82/69/96/489826996.db2.gz WAOOAOBNWNVDRC-WBVHZDCISA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969472 489826998 /nfs/dbraw/zinc/82/69/98/489826998.db2.gz WAOOAOBNWNVDRC-WBVHZDCISA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969472 489827002 /nfs/dbraw/zinc/82/70/02/489827002.db2.gz WAOOAOBNWNVDRC-WBVHZDCISA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[NH+]1CCN(C)CC1 ZINC000492686259 489834949 /nfs/dbraw/zinc/83/49/49/489834949.db2.gz YMYHHYSQVYEVCY-GUDVDZBRSA-N 2 2 365.566 0.639 20 0 FCADLP O=C(NCCC[NH+]1CCCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475570930 489836637 /nfs/dbraw/zinc/83/66/37/489836637.db2.gz LYOXPYZPNNVFCQ-UHFFFAOYSA-N 2 2 350.467 0.823 20 0 FCADLP C[C@H]1C[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)CCCO1 ZINC000432310648 489836981 /nfs/dbraw/zinc/83/69/81/489836981.db2.gz JDMPRUMLTDBBCE-INIZCTEOSA-N 2 2 363.524 0.129 20 0 FCADLP C[C@H]1C[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)CCCO1 ZINC000432310648 489836984 /nfs/dbraw/zinc/83/69/84/489836984.db2.gz JDMPRUMLTDBBCE-INIZCTEOSA-N 2 2 363.524 0.129 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419067469 489842698 /nfs/dbraw/zinc/84/26/98/489842698.db2.gz DOKHFXXABZBRNA-HZPDHXFCSA-N 2 2 373.432 0.975 20 0 FCADLP C[C@@H]1OCC[C@@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C[C@@H](C)O2 ZINC000377049372 489844024 /nfs/dbraw/zinc/84/40/24/489844024.db2.gz XFRRDJAIGMIBGQ-JTDSTZFVSA-N 2 2 368.522 0.990 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000475781368 489847679 /nfs/dbraw/zinc/84/76/79/489847679.db2.gz NRUVDNIHWQEIBC-AWEZNQCLSA-N 2 2 373.461 0.292 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000475781368 489847682 /nfs/dbraw/zinc/84/76/82/489847682.db2.gz NRUVDNIHWQEIBC-AWEZNQCLSA-N 2 2 373.461 0.292 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000419083037 489848891 /nfs/dbraw/zinc/84/88/91/489848891.db2.gz JUMVYCNULFXLKQ-NMWPEEMBSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000419083037 489848895 /nfs/dbraw/zinc/84/88/95/489848895.db2.gz JUMVYCNULFXLKQ-NMWPEEMBSA-N 2 2 354.495 0.199 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000564002763 491283023 /nfs/dbraw/zinc/28/30/23/491283023.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000564002763 491283025 /nfs/dbraw/zinc/28/30/25/491283025.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000564002763 491283026 /nfs/dbraw/zinc/28/30/26/491283026.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000564002763 491283029 /nfs/dbraw/zinc/28/30/29/491283029.db2.gz AKUYVSZACRCUTG-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000419084222 489850480 /nfs/dbraw/zinc/85/04/80/489850480.db2.gz LDZAXXQNUAUTTB-KBPBESRZSA-N 2 2 354.495 0.201 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000419084318 489850575 /nfs/dbraw/zinc/85/05/75/489850575.db2.gz SYMFXADZWNQYBR-LSDHHAIUSA-N 2 2 359.405 0.715 20 0 FCADLP COCCOCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000460152745 489853235 /nfs/dbraw/zinc/85/32/35/489853235.db2.gz UZGWJAJYWZTXQV-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000460251794 489858310 /nfs/dbraw/zinc/85/83/10/489858310.db2.gz MMJJIKSHLRKVKF-SFHVURJKSA-N 2 2 369.554 0.766 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000460251794 489858312 /nfs/dbraw/zinc/85/83/12/489858312.db2.gz MMJJIKSHLRKVKF-SFHVURJKSA-N 2 2 369.554 0.766 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419110707 489858958 /nfs/dbraw/zinc/85/89/58/489858958.db2.gz CLQSCGOZCGJGFL-ZBFHGGJFSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115432 489861297 /nfs/dbraw/zinc/86/12/97/489861297.db2.gz JPIYLMBJBWYHFH-IAGOWNOFSA-N 2 2 368.522 0.437 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000419119309 489864020 /nfs/dbraw/zinc/86/40/20/489864020.db2.gz OURXMHCXAMRVHM-HNNXBMFYSA-N 2 2 356.511 0.293 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419121351 489865393 /nfs/dbraw/zinc/86/53/93/489865393.db2.gz DGMXNOZDFSANIM-DOTOQJQBSA-N 2 2 369.469 0.704 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120489 489865648 /nfs/dbraw/zinc/86/56/48/489865648.db2.gz QLANYBMBGFXENB-HRCADAONSA-N 2 2 354.495 0.093 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419121691 489865963 /nfs/dbraw/zinc/86/59/63/489865963.db2.gz SHKZFHMKDAENQG-YLFCFFPRSA-N 2 2 366.506 0.045 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC000433156582 489868676 /nfs/dbraw/zinc/86/86/76/489868676.db2.gz CETZOUWUFHHXLS-HOTGVXAUSA-N 2 2 357.520 0.758 20 0 FCADLP CC(C)(CNC(=O)C[N@H+](CCO)[C@H]1CCCSC1)[NH+]1CCOCC1 ZINC000433193987 489871220 /nfs/dbraw/zinc/87/12/20/489871220.db2.gz LVOFSROTMHFKRL-HNNXBMFYSA-N 2 2 359.536 0.403 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+](CCO)[C@H]1CCCSC1)[NH+]1CCOCC1 ZINC000433193987 489871224 /nfs/dbraw/zinc/87/12/24/489871224.db2.gz LVOFSROTMHFKRL-HNNXBMFYSA-N 2 2 359.536 0.403 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206679 489875177 /nfs/dbraw/zinc/87/51/77/489875177.db2.gz YTFAQYAMTUXKRA-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206679 489875180 /nfs/dbraw/zinc/87/51/80/489875180.db2.gz YTFAQYAMTUXKRA-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCOC(C)(C)C2)CCCO1 ZINC000433333168 489875926 /nfs/dbraw/zinc/87/59/26/489875926.db2.gz FSXBJPKSTQZZBE-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCOC(C)(C)C2)CCCO1 ZINC000433333168 489875932 /nfs/dbraw/zinc/87/59/32/489875932.db2.gz FSXBJPKSTQZZBE-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCO1 ZINC000433333168 489875939 /nfs/dbraw/zinc/87/59/39/489875939.db2.gz FSXBJPKSTQZZBE-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCO1 ZINC000433333168 489875943 /nfs/dbraw/zinc/87/59/43/489875943.db2.gz FSXBJPKSTQZZBE-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000433316148 489876270 /nfs/dbraw/zinc/87/62/70/489876270.db2.gz DSBQCCLJOYSDSG-ZACQAIPSSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000433316148 489876271 /nfs/dbraw/zinc/87/62/71/489876271.db2.gz DSBQCCLJOYSDSG-ZACQAIPSSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420001537 489878154 /nfs/dbraw/zinc/87/81/54/489878154.db2.gz QDKPIMHVNMHYQY-IRXDYDNUSA-N 2 2 373.501 0.793 20 0 FCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433379312 489880030 /nfs/dbraw/zinc/88/00/30/489880030.db2.gz YDMCYDCEWPUXCF-OAHLLOKOSA-N 2 2 355.446 0.996 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000420015868 489881657 /nfs/dbraw/zinc/88/16/57/489881657.db2.gz MKHQKZQZULDAHI-MRXNPFEDSA-N 2 2 357.458 0.989 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420020007 489882184 /nfs/dbraw/zinc/88/21/84/489882184.db2.gz RLHTVGARMBBFTB-CVEARBPZSA-N 2 2 354.495 0.189 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000377313878 489883192 /nfs/dbraw/zinc/88/31/92/489883192.db2.gz AATXGABELNXJKD-AEFFLSMTSA-N 2 2 352.523 0.630 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420021042 489883464 /nfs/dbraw/zinc/88/34/64/489883464.db2.gz TUOSHCUBRMCJPP-KRWDZBQOSA-N 2 2 362.474 0.309 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460887744 489885567 /nfs/dbraw/zinc/88/55/67/489885567.db2.gz SMCNLUBHTMBULD-KRWDZBQOSA-N 2 2 356.511 0.851 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000476459186 489890985 /nfs/dbraw/zinc/89/09/85/489890985.db2.gz LMGVHHVKSOGCOL-ZDUSSCGKSA-N 2 2 371.401 0.460 20 0 FCADLP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000420042339 489891048 /nfs/dbraw/zinc/89/10/48/489891048.db2.gz NMIZCLKHLKWDOI-KRWDZBQOSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000420053777 489895708 /nfs/dbraw/zinc/89/57/08/489895708.db2.gz GPBMBRQSRATMGQ-AEGPPILISA-N 2 2 362.430 0.291 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119282 489896383 /nfs/dbraw/zinc/89/63/83/489896383.db2.gz VVUVPWMXCGPWAN-IAGOWNOFSA-N 2 2 368.522 0.579 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119282 489896386 /nfs/dbraw/zinc/89/63/86/489896386.db2.gz VVUVPWMXCGPWAN-IAGOWNOFSA-N 2 2 368.522 0.579 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420063863 489899877 /nfs/dbraw/zinc/89/98/77/489899877.db2.gz NYADRXCDVKIXAO-MRXNPFEDSA-N 2 2 360.458 0.193 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000494613219 489900022 /nfs/dbraw/zinc/90/00/22/489900022.db2.gz COYDTPYTOWGUKE-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000494613219 489900024 /nfs/dbraw/zinc/90/00/24/489900024.db2.gz COYDTPYTOWGUKE-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000420086287 489907029 /nfs/dbraw/zinc/90/70/29/489907029.db2.gz YWAYXDIXWMVXCS-UHFFFAOYSA-N 3 2 355.527 0.105 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420086287 489907036 /nfs/dbraw/zinc/90/70/36/489907036.db2.gz YWAYXDIXWMVXCS-UHFFFAOYSA-N 3 2 355.527 0.105 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433995861 489908649 /nfs/dbraw/zinc/90/86/49/489908649.db2.gz BAGORCKSEQSMPP-QZTJIDSGSA-N 2 2 362.518 0.729 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420092962 489909390 /nfs/dbraw/zinc/90/93/90/489909390.db2.gz CHNFYESEJQBCOF-JFIYKMOQSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420092962 489909395 /nfs/dbraw/zinc/90/93/95/489909395.db2.gz CHNFYESEJQBCOF-JFIYKMOQSA-N 2 2 358.486 0.834 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000434284696 489920595 /nfs/dbraw/zinc/92/05/95/489920595.db2.gz CFLNMFNHWBKSKR-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000434284696 489920598 /nfs/dbraw/zinc/92/05/98/489920598.db2.gz CFLNMFNHWBKSKR-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000420136648 489925721 /nfs/dbraw/zinc/92/57/21/489925721.db2.gz JFTPPLSTKPWGLU-UHFFFAOYSA-N 2 2 356.470 0.675 20 0 FCADLP C[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000434414393 489926352 /nfs/dbraw/zinc/92/63/52/489926352.db2.gz XOBPGDZTJCJOTC-IRXDYDNUSA-N 2 2 355.527 0.232 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCC1 ZINC000420140584 489927410 /nfs/dbraw/zinc/92/74/10/489927410.db2.gz XWRHRYBLRCOJLS-YWEYNIOJSA-N 2 2 356.470 0.842 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000564105678 491288991 /nfs/dbraw/zinc/28/89/91/491288991.db2.gz FLYXTQSFQFZOBT-HZPDHXFCSA-N 2 2 363.462 0.149 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420165808 489937744 /nfs/dbraw/zinc/93/77/44/489937744.db2.gz NLPLKVNVGCQXEX-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661136 489938413 /nfs/dbraw/zinc/93/84/13/489938413.db2.gz CRQRMJRWOCRSLD-AEFFLSMTSA-N 3 2 351.539 0.249 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661136 489938415 /nfs/dbraw/zinc/93/84/15/489938415.db2.gz CRQRMJRWOCRSLD-AEFFLSMTSA-N 3 2 351.539 0.249 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000477092742 489941256 /nfs/dbraw/zinc/94/12/56/489941256.db2.gz CSYHEVUJZHRQTP-HOTGVXAUSA-N 2 2 356.511 0.306 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420188901 489946081 /nfs/dbraw/zinc/94/60/81/489946081.db2.gz TXQYXNPHVAPJML-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420188901 489946083 /nfs/dbraw/zinc/94/60/83/489946083.db2.gz TXQYXNPHVAPJML-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1C ZINC000377720038 489946247 /nfs/dbraw/zinc/94/62/47/489946247.db2.gz QXRFFADBQPXEHD-MQVJKMGUSA-N 2 2 362.474 0.985 20 0 FCADLP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1C ZINC000377720038 489946250 /nfs/dbraw/zinc/94/62/50/489946250.db2.gz QXRFFADBQPXEHD-MQVJKMGUSA-N 2 2 362.474 0.985 20 0 FCADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420190739 489946595 /nfs/dbraw/zinc/94/65/95/489946595.db2.gz PKUZCZQLQNLQMU-LSDHHAIUSA-N 2 2 363.462 0.451 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000477209784 489949798 /nfs/dbraw/zinc/94/97/98/489949798.db2.gz WJWCRIRNTOONTL-APWZRJJASA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)CCc1c[nH+]cn1C ZINC000477373689 489960471 /nfs/dbraw/zinc/96/04/71/489960471.db2.gz HSYCICYUDCIZHP-KRWDZBQOSA-N 2 2 374.489 0.976 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359926 489967199 /nfs/dbraw/zinc/96/71/99/489967199.db2.gz WJPWVARURRJKBV-RDTXWAMCSA-N 2 2 351.447 0.523 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359926 489967203 /nfs/dbraw/zinc/96/72/03/489967203.db2.gz WJPWVARURRJKBV-RDTXWAMCSA-N 2 2 351.447 0.523 20 0 FCADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1S(N)(=O)=O ZINC000420369209 489968842 /nfs/dbraw/zinc/96/88/42/489968842.db2.gz OEKCAFUPESUBFT-BFQNTYOBSA-N 2 2 354.476 0.557 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)S(C)(=O)=O ZINC000420373037 489968956 /nfs/dbraw/zinc/96/89/56/489968956.db2.gz YWPFHQVWQFMIAR-CYBMUJFWSA-N 2 2 350.529 0.126 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374768 489969594 /nfs/dbraw/zinc/96/95/94/489969594.db2.gz SJLIKEXXHAEMSI-ZWKOTPCHSA-N 3 2 354.539 0.957 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374768 489969599 /nfs/dbraw/zinc/96/95/99/489969599.db2.gz SJLIKEXXHAEMSI-ZWKOTPCHSA-N 3 2 354.539 0.957 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1C ZINC000420378166 489969899 /nfs/dbraw/zinc/96/98/99/489969899.db2.gz WYQYWUNJLGQWPV-MNRXQERYSA-N 2 2 368.503 0.865 20 0 FCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000462406576 489973782 /nfs/dbraw/zinc/97/37/82/489973782.db2.gz AJCBGUPLQWBCIT-FQEVSTJZSA-N 2 2 356.470 0.880 20 0 FCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000462406576 489973785 /nfs/dbraw/zinc/97/37/85/489973785.db2.gz AJCBGUPLQWBCIT-FQEVSTJZSA-N 2 2 356.470 0.880 20 0 FCADLP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000462400212 489973990 /nfs/dbraw/zinc/97/39/90/489973990.db2.gz DWJJZTRFEBRGNJ-OAQYLSRUSA-N 2 2 372.513 0.820 20 0 FCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000462400212 489973991 /nfs/dbraw/zinc/97/39/91/489973991.db2.gz DWJJZTRFEBRGNJ-OAQYLSRUSA-N 3 2 372.513 0.820 20 0 FCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000462400212 489973995 /nfs/dbraw/zinc/97/39/95/489973995.db2.gz DWJJZTRFEBRGNJ-OAQYLSRUSA-N 3 2 372.513 0.820 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420422458 489974160 /nfs/dbraw/zinc/97/41/60/489974160.db2.gz ZMXWIVMTOQJHDP-DGCLKSJQSA-N 2 2 361.425 0.965 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420422458 489974163 /nfs/dbraw/zinc/97/41/63/489974163.db2.gz ZMXWIVMTOQJHDP-DGCLKSJQSA-N 2 2 361.425 0.965 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000556079554 491292788 /nfs/dbraw/zinc/29/27/88/491292788.db2.gz RWRDPGBJNHBFGW-CABCVRRESA-N 2 2 356.511 0.306 20 0 FCADLP O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000435242967 489991463 /nfs/dbraw/zinc/99/14/63/489991463.db2.gz PPNIHXHAKUXGHV-HXUWFJFHSA-N 2 2 372.513 0.961 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000462902989 489994649 /nfs/dbraw/zinc/99/46/49/489994649.db2.gz PZDDJKWDOAODAW-UHFFFAOYSA-N 2 2 366.462 0.514 20 0 FCADLP CCS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000462905473 489994937 /nfs/dbraw/zinc/99/49/37/489994937.db2.gz JZMBWAZMSOPYMX-UHFFFAOYSA-N 2 2 361.508 0.275 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000478067475 490004031 /nfs/dbraw/zinc/00/40/31/490004031.db2.gz ZIZPWHZGXPCQBA-MOPGFXCFSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000478067475 490004035 /nfs/dbraw/zinc/00/40/35/490004035.db2.gz ZIZPWHZGXPCQBA-MOPGFXCFSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000478067475 490004039 /nfs/dbraw/zinc/00/40/39/490004039.db2.gz ZIZPWHZGXPCQBA-MOPGFXCFSA-N 2 2 358.486 0.394 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478214865 490010195 /nfs/dbraw/zinc/01/01/95/490010195.db2.gz YKSIDJMSTJQTFL-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478214865 490010198 /nfs/dbraw/zinc/01/01/98/490010198.db2.gz YKSIDJMSTJQTFL-YESZJQIVSA-N 2 2 356.511 0.440 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420899505 490029350 /nfs/dbraw/zinc/02/93/50/490029350.db2.gz JPGCRYQJSDCJCG-OOHWJJMZSA-N 2 2 365.522 0.854 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000378236553 490032193 /nfs/dbraw/zinc/03/21/93/490032193.db2.gz FEDOXHVJXIVEDH-OAHLLOKOSA-N 2 2 362.478 0.532 20 0 FCADLP OCC[N@H+](CCN1CCOCC1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420913266 490032377 /nfs/dbraw/zinc/03/23/77/490032377.db2.gz IUJSUKUANLLNFC-UHFFFAOYSA-N 2 2 363.502 0.645 20 0 FCADLP OCC[N@@H+](CCN1CCOCC1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420913266 490032382 /nfs/dbraw/zinc/03/23/82/490032382.db2.gz IUJSUKUANLLNFC-UHFFFAOYSA-N 2 2 363.502 0.645 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000438313259 490034143 /nfs/dbraw/zinc/03/41/43/490034143.db2.gz LXABBPUKHLWLGN-HZPDHXFCSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000438313259 490034146 /nfs/dbraw/zinc/03/41/46/490034146.db2.gz LXABBPUKHLWLGN-HZPDHXFCSA-N 2 2 362.478 0.964 20 0 FCADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2C1 ZINC000478769400 490035981 /nfs/dbraw/zinc/03/59/81/490035981.db2.gz LSYLREYCQXYMDE-MRXNPFEDSA-N 2 2 373.501 0.713 20 0 FCADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)c2C1 ZINC000478769400 490035985 /nfs/dbraw/zinc/03/59/85/490035985.db2.gz LSYLREYCQXYMDE-MRXNPFEDSA-N 2 2 373.501 0.713 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2C1 ZINC000478769400 490035992 /nfs/dbraw/zinc/03/59/92/490035992.db2.gz LSYLREYCQXYMDE-MRXNPFEDSA-N 2 2 373.501 0.713 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2C1 ZINC000478769400 490035998 /nfs/dbraw/zinc/03/59/98/490035998.db2.gz LSYLREYCQXYMDE-MRXNPFEDSA-N 2 2 373.501 0.713 20 0 FCADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000420972681 490037408 /nfs/dbraw/zinc/03/74/08/490037408.db2.gz MGQNALRHIJFNAE-SFHVURJKSA-N 2 2 367.515 0.985 20 0 FCADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000420972681 490037410 /nfs/dbraw/zinc/03/74/10/490037410.db2.gz MGQNALRHIJFNAE-SFHVURJKSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000556109766 491295728 /nfs/dbraw/zinc/29/57/28/491295728.db2.gz DJMIQZVRSFZXFS-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000441076992 490051027 /nfs/dbraw/zinc/05/10/27/490051027.db2.gz FYKXXWYVSMGKSM-KGLIPLIRSA-N 2 2 356.430 1.147 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000441076992 490051033 /nfs/dbraw/zinc/05/10/33/490051033.db2.gz FYKXXWYVSMGKSM-KGLIPLIRSA-N 2 2 356.430 1.147 20 0 FCADLP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423302 490062472 /nfs/dbraw/zinc/06/24/72/490062472.db2.gz BIGHYYFLLKBEJF-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443055353 490065003 /nfs/dbraw/zinc/06/50/03/490065003.db2.gz BGNKGWSGTIENLV-LLVKDONJSA-N 2 2 374.894 0.987 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443055353 490065004 /nfs/dbraw/zinc/06/50/04/490065004.db2.gz BGNKGWSGTIENLV-LLVKDONJSA-N 2 2 374.894 0.987 20 0 FCADLP O=C1C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1c1cnccn1 ZINC000465037576 490076004 /nfs/dbraw/zinc/07/60/04/490076004.db2.gz PCFQNYYAKUDQOT-MRXNPFEDSA-N 2 2 373.457 0.685 20 0 FCADLP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[NH+]1CCOCC1 ZINC000495464224 490077792 /nfs/dbraw/zinc/07/77/92/490077792.db2.gz BOOPAWXLZKZKCC-CABCVRRESA-N 2 2 363.524 0.002 20 0 FCADLP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[NH+]1CCOCC1 ZINC000495464225 490077934 /nfs/dbraw/zinc/07/79/34/490077934.db2.gz BOOPAWXLZKZKCC-GJZGRUSLSA-N 2 2 363.524 0.002 20 0 FCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000571284604 491297848 /nfs/dbraw/zinc/29/78/48/491297848.db2.gz FSNQXUZSHNKHKG-NWDGAFQWSA-N 2 2 354.476 0.371 20 0 FCADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC)CC1)c1ccco1 ZINC000479383299 490086210 /nfs/dbraw/zinc/08/62/10/490086210.db2.gz CSWDDYYSPYMSQW-HNNXBMFYSA-N 2 2 350.463 0.943 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000465409502 490119890 /nfs/dbraw/zinc/11/98/90/490119890.db2.gz PDXPGMOXKIRMPG-HNNXBMFYSA-N 2 2 353.511 0.555 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000465409502 490119892 /nfs/dbraw/zinc/11/98/92/490119892.db2.gz PDXPGMOXKIRMPG-HNNXBMFYSA-N 2 2 353.511 0.555 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479776586 490124915 /nfs/dbraw/zinc/12/49/15/490124915.db2.gz IGFGXUNJCDALMT-UPJWGTAASA-N 2 2 360.414 0.646 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479776586 490124917 /nfs/dbraw/zinc/12/49/17/490124917.db2.gz IGFGXUNJCDALMT-UPJWGTAASA-N 2 2 360.414 0.646 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382772477 490128047 /nfs/dbraw/zinc/12/80/47/490128047.db2.gz DXEATBCMWDTRDY-NVXWUHKLSA-N 2 2 353.488 0.511 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000382772477 490128052 /nfs/dbraw/zinc/12/80/52/490128052.db2.gz DXEATBCMWDTRDY-NVXWUHKLSA-N 2 2 353.488 0.511 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000564330905 491301373 /nfs/dbraw/zinc/30/13/73/491301373.db2.gz QKIHQAURFRDBEJ-UHFFFAOYSA-N 2 2 365.499 0.782 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382772478 490129606 /nfs/dbraw/zinc/12/96/06/490129606.db2.gz DXEATBCMWDTRDY-RDJZCZTQSA-N 2 2 353.488 0.511 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382772478 490129615 /nfs/dbraw/zinc/12/96/15/490129615.db2.gz DXEATBCMWDTRDY-RDJZCZTQSA-N 2 2 353.488 0.511 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000479895568 490133923 /nfs/dbraw/zinc/13/39/23/490133923.db2.gz YCYCMWMDDFETRN-HNNXBMFYSA-N 2 2 356.511 0.260 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000465635461 490133893 /nfs/dbraw/zinc/13/38/93/490133893.db2.gz RASXWVHEAUOSRV-OAHLLOKOSA-N 2 2 351.495 0.467 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390756393 490137461 /nfs/dbraw/zinc/13/74/61/490137461.db2.gz WHPHCTSUQZMHCG-CVEARBPZSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390756393 490137465 /nfs/dbraw/zinc/13/74/65/490137465.db2.gz WHPHCTSUQZMHCG-CVEARBPZSA-N 2 2 353.488 0.529 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000465863799 490148472 /nfs/dbraw/zinc/14/84/72/490148472.db2.gz RYHDHLRYQVHCFH-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000465863799 490148480 /nfs/dbraw/zinc/14/84/80/490148480.db2.gz RYHDHLRYQVHCFH-KURKYZTESA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000465869073 490149169 /nfs/dbraw/zinc/14/91/69/490149169.db2.gz YCWBOVUYIVUBGD-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000465869073 490149174 /nfs/dbraw/zinc/14/91/74/490149174.db2.gz YCWBOVUYIVUBGD-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000466036238 490159983 /nfs/dbraw/zinc/15/99/83/490159983.db2.gz OODPGOYMKCLPJA-HZPDHXFCSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000466036238 490159989 /nfs/dbraw/zinc/15/99/89/490159989.db2.gz OODPGOYMKCLPJA-HZPDHXFCSA-N 2 2 353.511 0.665 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cn21 ZINC000446743605 490163422 /nfs/dbraw/zinc/16/34/22/490163422.db2.gz FYHVPBXFGNEJRE-UHFFFAOYSA-N 2 2 369.429 0.656 20 0 FCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000466084406 490164343 /nfs/dbraw/zinc/16/43/43/490164343.db2.gz YZYDLGJRJOWXKP-AWEZNQCLSA-N 2 2 350.467 0.678 20 0 FCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000466084406 490164352 /nfs/dbraw/zinc/16/43/52/490164352.db2.gz YZYDLGJRJOWXKP-AWEZNQCLSA-N 2 2 350.467 0.678 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520611249 490169059 /nfs/dbraw/zinc/16/90/59/490169059.db2.gz JGUNVDLMBJSEQX-INMHGKMJSA-N 2 2 360.433 0.873 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520611249 490169067 /nfs/dbraw/zinc/16/90/67/490169067.db2.gz JGUNVDLMBJSEQX-INMHGKMJSA-N 2 2 360.433 0.873 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000520768705 490188025 /nfs/dbraw/zinc/18/80/25/490188025.db2.gz ZTBSGTISCCTBNO-GVDBMIGSSA-N 2 2 373.505 0.286 20 0 FCADLP C[C@]1(CO)CCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000546102104 490188290 /nfs/dbraw/zinc/18/82/90/490188290.db2.gz MGCUDSDLIUIHMM-GOSISDBHSA-N 2 2 353.507 0.985 20 0 FCADLP C[C@]1(CO)CCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000546102104 490188296 /nfs/dbraw/zinc/18/82/96/490188296.db2.gz MGCUDSDLIUIHMM-GOSISDBHSA-N 2 2 353.507 0.985 20 0 FCADLP CC[NH+]1CCC(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000407998166 490198159 /nfs/dbraw/zinc/19/81/59/490198159.db2.gz NRLPYHQKJWAWNJ-UHFFFAOYSA-N 2 2 351.495 0.420 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000571420537 491306748 /nfs/dbraw/zinc/30/67/48/491306748.db2.gz LARISEWFVNSZNW-OWCLPIDISA-N 2 2 351.495 0.452 20 0 FCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000507339816 490200423 /nfs/dbraw/zinc/20/04/23/490200423.db2.gz MZZQMWYLMBBTCC-UHFFFAOYSA-N 2 2 362.540 0.189 20 0 FCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000507339816 490200429 /nfs/dbraw/zinc/20/04/29/490200429.db2.gz MZZQMWYLMBBTCC-UHFFFAOYSA-N 2 2 362.540 0.189 20 0 FCADLP Cc1nc2ccccn2c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533253211 490201511 /nfs/dbraw/zinc/20/15/11/490201511.db2.gz NKWYPMJHBLDOGP-INIZCTEOSA-N 2 2 357.458 0.665 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721106 490203543 /nfs/dbraw/zinc/20/35/43/490203543.db2.gz RDQKBCFLBOBYDS-BMFZPTHFSA-N 2 2 353.488 0.700 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721106 490203549 /nfs/dbraw/zinc/20/35/49/490203549.db2.gz RDQKBCFLBOBYDS-BMFZPTHFSA-N 2 2 353.488 0.700 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC000507380263 490208386 /nfs/dbraw/zinc/20/83/86/490208386.db2.gz KTMFYDIFRLLIMZ-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC000507380263 490208394 /nfs/dbraw/zinc/20/83/94/490208394.db2.gz KTMFYDIFRLLIMZ-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP CON1CCC(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000422255332 490209775 /nfs/dbraw/zinc/20/97/75/490209775.db2.gz PCIOLADOUFDSHE-OAHLLOKOSA-N 2 2 353.511 0.822 20 0 FCADLP CON1CCC(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000422255332 490209782 /nfs/dbraw/zinc/20/97/82/490209782.db2.gz PCIOLADOUFDSHE-OAHLLOKOSA-N 2 2 353.511 0.822 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000422259681 490211809 /nfs/dbraw/zinc/21/18/09/490211809.db2.gz LYBVKEMTYAEKGK-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000422259681 490211814 /nfs/dbraw/zinc/21/18/14/490211814.db2.gz LYBVKEMTYAEKGK-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000422259681 490211819 /nfs/dbraw/zinc/21/18/19/490211819.db2.gz LYBVKEMTYAEKGK-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000422259681 490211827 /nfs/dbraw/zinc/21/18/27/490211827.db2.gz LYBVKEMTYAEKGK-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000521088959 490223603 /nfs/dbraw/zinc/22/36/03/490223603.db2.gz POEUMDWCHRPLLP-DOTOQJQBSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000521088959 490223606 /nfs/dbraw/zinc/22/36/06/490223606.db2.gz POEUMDWCHRPLLP-DOTOQJQBSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000521088961 490223816 /nfs/dbraw/zinc/22/38/16/490223816.db2.gz POEUMDWCHRPLLP-RDJZCZTQSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000521088961 490223818 /nfs/dbraw/zinc/22/38/18/490223818.db2.gz POEUMDWCHRPLLP-RDJZCZTQSA-N 2 2 369.469 0.951 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000466929559 490227832 /nfs/dbraw/zinc/22/78/32/490227832.db2.gz BUKWDDWYTJQVDL-QGZVFWFLSA-N 2 2 359.474 0.334 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000466929559 490227840 /nfs/dbraw/zinc/22/78/40/490227840.db2.gz BUKWDDWYTJQVDL-QGZVFWFLSA-N 2 2 359.474 0.334 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000422285890 490229427 /nfs/dbraw/zinc/22/94/27/490229427.db2.gz USBWOKNQEAWPTG-INIZCTEOSA-N 2 2 359.474 0.685 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000422285890 490229433 /nfs/dbraw/zinc/22/94/33/490229433.db2.gz USBWOKNQEAWPTG-INIZCTEOSA-N 2 2 359.474 0.685 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000498033685 490247577 /nfs/dbraw/zinc/24/75/77/490247577.db2.gz VSURCDPBZWJXRI-KZNAEPCWSA-N 2 2 369.554 0.357 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000498033685 490247585 /nfs/dbraw/zinc/24/75/85/490247585.db2.gz VSURCDPBZWJXRI-KZNAEPCWSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000498033685 490247590 /nfs/dbraw/zinc/24/75/90/490247590.db2.gz VSURCDPBZWJXRI-KZNAEPCWSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000498033685 490247595 /nfs/dbraw/zinc/24/75/95/490247595.db2.gz VSURCDPBZWJXRI-KZNAEPCWSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937297 490264637 /nfs/dbraw/zinc/26/46/37/490264637.db2.gz NZBBESYXFTZNQE-ROUUACIJSA-N 2 2 350.507 0.477 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937297 490264643 /nfs/dbraw/zinc/26/46/43/490264643.db2.gz NZBBESYXFTZNQE-ROUUACIJSA-N 2 2 350.507 0.477 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@]4(CC[NH2+]C4)C3)nc2)CC1 ZINC000564554115 491313346 /nfs/dbraw/zinc/31/33/46/491313346.db2.gz BAJODIQYJFXNDA-QGZVFWFLSA-N 2 2 365.503 0.208 20 0 FCADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181497 490290425 /nfs/dbraw/zinc/29/04/25/490290425.db2.gz JTPRJNCNKKHZSX-GOEBONIOSA-N 2 2 355.442 0.988 20 0 FCADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181497 490290433 /nfs/dbraw/zinc/29/04/33/490290433.db2.gz JTPRJNCNKKHZSX-GOEBONIOSA-N 2 2 355.442 0.988 20 0 FCADLP CC(C)[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000498392779 490292066 /nfs/dbraw/zinc/29/20/66/490292066.db2.gz URSYQEHQROQEBX-MRXNPFEDSA-N 2 2 352.523 0.975 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc(C)[nH+]1 ZINC000422384842 490292921 /nfs/dbraw/zinc/29/29/21/490292921.db2.gz WRYZJAIETUSILB-MRXNPFEDSA-N 2 2 362.474 0.932 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc(C)[nH+]1 ZINC000422384842 490292930 /nfs/dbraw/zinc/29/29/30/490292930.db2.gz WRYZJAIETUSILB-MRXNPFEDSA-N 2 2 362.474 0.932 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000571548782 491315013 /nfs/dbraw/zinc/31/50/13/491315013.db2.gz SKGLZCYJXYEZNY-CABCVRRESA-N 2 2 363.462 0.272 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC[NH+]1CCOCC1 ZINC000498434455 490294542 /nfs/dbraw/zinc/29/45/42/490294542.db2.gz QDLFNCRSQBMOGK-UHFFFAOYSA-N 3 2 354.539 0.973 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC[NH+]1CCOCC1 ZINC000498434455 490294546 /nfs/dbraw/zinc/29/45/46/490294546.db2.gz QDLFNCRSQBMOGK-UHFFFAOYSA-N 3 2 354.539 0.973 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@H](C)SC)CC2)CC1 ZINC000422389326 490295300 /nfs/dbraw/zinc/29/53/00/490295300.db2.gz YLSWAAUXTFFNRB-HNNXBMFYSA-N 2 2 370.563 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@H](C)SC)CC2)CC1 ZINC000422389326 490295304 /nfs/dbraw/zinc/29/53/04/490295304.db2.gz YLSWAAUXTFFNRB-HNNXBMFYSA-N 2 2 370.563 0.873 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000521868748 490305063 /nfs/dbraw/zinc/30/50/63/490305063.db2.gz NQILDPNVVHSBSA-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000508193927 490307548 /nfs/dbraw/zinc/30/75/48/490307548.db2.gz KCVMGELPKYLRND-UHFFFAOYSA-N 2 2 358.442 0.758 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2n[nH]cc2Br)CC1 ZINC000533981735 490307789 /nfs/dbraw/zinc/30/77/89/490307789.db2.gz FKIYXRBTURYHNZ-UHFFFAOYSA-N 2 2 373.299 0.997 20 0 FCADLP CCOc1ccccc1N1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000564655128 491318468 /nfs/dbraw/zinc/31/84/68/491318468.db2.gz CHKDZBRZWFMYEH-LSDHHAIUSA-N 2 2 360.458 0.540 20 0 FCADLP CCOc1ccccc1N1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000564655128 491318469 /nfs/dbraw/zinc/31/84/69/491318469.db2.gz CHKDZBRZWFMYEH-LSDHHAIUSA-N 2 2 360.458 0.540 20 0 FCADLP O=C(CC[NH+]1CCN(CCCOCC(F)(F)F)CC1)N1CC[NH2+]CC1 ZINC000508647666 490344442 /nfs/dbraw/zinc/34/44/42/490344442.db2.gz YWISEOQLSXCPIQ-UHFFFAOYSA-N 2 2 366.428 0.395 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000522143377 490346655 /nfs/dbraw/zinc/34/66/55/490346655.db2.gz SDYCGXMLLNPFPL-MRXNPFEDSA-N 2 2 374.576 0.542 20 0 FCADLP C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)NCC[NH+]1CCCCC1 ZINC000508693420 490349343 /nfs/dbraw/zinc/34/93/43/490349343.db2.gz IINZPUOLUNUXRS-OAHLLOKOSA-N 2 2 370.457 0.988 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522189812 490351551 /nfs/dbraw/zinc/35/15/51/490351551.db2.gz MTDFADADUVWFQB-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)[nH+]c2c1 ZINC000448498372 490358863 /nfs/dbraw/zinc/35/88/63/490358863.db2.gz XYDZOFNYJIFGHT-UHFFFAOYSA-N 2 2 369.429 0.656 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498870863 490360094 /nfs/dbraw/zinc/36/00/94/490360094.db2.gz AASVDTRYFIFGRY-BBWFWOEESA-N 2 2 361.552 0.995 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498870863 490360102 /nfs/dbraw/zinc/36/01/02/490360102.db2.gz AASVDTRYFIFGRY-BBWFWOEESA-N 2 2 361.552 0.995 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000564729364 491323177 /nfs/dbraw/zinc/32/31/77/491323177.db2.gz OLJRBDLIBOKVAJ-GJZGRUSLSA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000564729364 491323178 /nfs/dbraw/zinc/32/31/78/491323178.db2.gz OLJRBDLIBOKVAJ-GJZGRUSLSA-N 2 2 361.442 0.080 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000410710315 490367299 /nfs/dbraw/zinc/36/72/99/490367299.db2.gz IEACYCSKYQBZQA-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000410710315 490367306 /nfs/dbraw/zinc/36/73/06/490367306.db2.gz IEACYCSKYQBZQA-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000468136979 490368196 /nfs/dbraw/zinc/36/81/96/490368196.db2.gz TYDOBSYLSLUCCL-UHFFFAOYSA-N 2 2 357.495 0.877 20 0 FCADLP C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000468136979 490368201 /nfs/dbraw/zinc/36/82/01/490368201.db2.gz TYDOBSYLSLUCCL-UHFFFAOYSA-N 2 2 357.495 0.877 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000498945047 490370290 /nfs/dbraw/zinc/37/02/90/490370290.db2.gz VYGUAVVFOQJTIO-UHFFFAOYSA-N 2 2 366.506 0.324 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000498945047 490370296 /nfs/dbraw/zinc/37/02/96/490370296.db2.gz VYGUAVVFOQJTIO-UHFFFAOYSA-N 2 2 366.506 0.324 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000498945047 490370300 /nfs/dbraw/zinc/37/03/00/490370300.db2.gz VYGUAVVFOQJTIO-UHFFFAOYSA-N 2 2 366.506 0.324 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000498945047 490370305 /nfs/dbraw/zinc/37/03/05/490370305.db2.gz VYGUAVVFOQJTIO-UHFFFAOYSA-N 2 2 366.506 0.324 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000498952599 490372156 /nfs/dbraw/zinc/37/21/56/490372156.db2.gz BPCFDRPUFBXMCY-UHFFFAOYSA-N 2 2 364.490 0.078 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000498952599 490372160 /nfs/dbraw/zinc/37/21/60/490372160.db2.gz BPCFDRPUFBXMCY-UHFFFAOYSA-N 2 2 364.490 0.078 20 0 FCADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000410880573 490374641 /nfs/dbraw/zinc/37/46/41/490374641.db2.gz YBJYVAQRUHWAKQ-SJORKVTESA-N 2 2 361.490 0.981 20 0 FCADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000410880573 490374644 /nfs/dbraw/zinc/37/46/44/490374644.db2.gz YBJYVAQRUHWAKQ-SJORKVTESA-N 2 2 361.490 0.981 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)ccc1C[NH+](C)C ZINC000411132415 490391505 /nfs/dbraw/zinc/39/15/05/490391505.db2.gz JYEZZWBSWNOHEN-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCNC1=O ZINC000534662884 490394869 /nfs/dbraw/zinc/39/48/69/490394869.db2.gz GVUXJABQPYXZHC-MRXNPFEDSA-N 2 2 362.499 0.994 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCNC1=O ZINC000534662884 490394876 /nfs/dbraw/zinc/39/48/76/490394876.db2.gz GVUXJABQPYXZHC-MRXNPFEDSA-N 2 2 362.499 0.994 20 0 FCADLP CO[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684339 491323007 /nfs/dbraw/zinc/32/30/07/491323007.db2.gz HREGYJZJUKTXBL-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684339 491323008 /nfs/dbraw/zinc/32/30/08/491323008.db2.gz HREGYJZJUKTXBL-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000484236435 490401733 /nfs/dbraw/zinc/40/17/33/490401733.db2.gz UXILWOLIDMUGOT-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000484236435 490401741 /nfs/dbraw/zinc/40/17/41/490401741.db2.gz UXILWOLIDMUGOT-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000449130951 490403642 /nfs/dbraw/zinc/40/36/42/490403642.db2.gz JDOOVFIIIWMJLO-AWEZNQCLSA-N 2 2 360.462 0.102 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000449130951 490403650 /nfs/dbraw/zinc/40/36/50/490403650.db2.gz JDOOVFIIIWMJLO-AWEZNQCLSA-N 2 2 360.462 0.102 20 0 FCADLP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000548032947 490409361 /nfs/dbraw/zinc/40/93/61/490409361.db2.gz LQWMPSNMXRRRNB-QGZVFWFLSA-N 2 2 369.554 0.501 20 0 FCADLP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000548032947 490409367 /nfs/dbraw/zinc/40/93/67/490409367.db2.gz LQWMPSNMXRRRNB-QGZVFWFLSA-N 2 2 369.554 0.501 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)ccc1C[NH+](C)C ZINC000411228123 490410262 /nfs/dbraw/zinc/41/02/62/490410262.db2.gz OGNOPUGHLKLWRU-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)ccc1C[NH+](C)C ZINC000411228123 490410269 /nfs/dbraw/zinc/41/02/69/490410269.db2.gz OGNOPUGHLKLWRU-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc(C)[nH+]1 ZINC000422589278 490417512 /nfs/dbraw/zinc/41/75/12/490417512.db2.gz MIOCPNVLEPBZGQ-QGZVFWFLSA-N 2 2 362.474 0.884 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc(C)[nH+]1 ZINC000422595008 490420034 /nfs/dbraw/zinc/42/00/34/490420034.db2.gz XUIVNDBONGZISB-QGZVFWFLSA-N 2 2 374.485 0.885 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000556653990 491325795 /nfs/dbraw/zinc/32/57/95/491325795.db2.gz KPRGQTNRMFHQGW-CJNGLKHVSA-N 2 2 355.442 0.858 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000556653990 491325796 /nfs/dbraw/zinc/32/57/96/491325796.db2.gz KPRGQTNRMFHQGW-CJNGLKHVSA-N 2 2 355.442 0.858 20 0 FCADLP C[NH+]1CCN(C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787480 491326199 /nfs/dbraw/zinc/32/61/99/491326199.db2.gz YCEOMZCOVGFUGJ-MOPGFXCFSA-N 3 2 374.533 0.259 20 0 FCADLP C[NH+]1CCN(C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787480 491326200 /nfs/dbraw/zinc/32/62/00/491326200.db2.gz YCEOMZCOVGFUGJ-MOPGFXCFSA-N 3 2 374.533 0.259 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000499583629 490437754 /nfs/dbraw/zinc/43/77/54/490437754.db2.gz DIBJBMBAXIHQSP-CRAIPNDOSA-N 2 2 374.489 0.913 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000499688334 490445972 /nfs/dbraw/zinc/44/59/72/490445972.db2.gz AOXGXUYPNYDQQG-IKGGRYGDSA-N 2 2 353.486 0.985 20 0 FCADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000499688334 490445976 /nfs/dbraw/zinc/44/59/76/490445976.db2.gz AOXGXUYPNYDQQG-IKGGRYGDSA-N 2 2 353.486 0.985 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468792331 490449831 /nfs/dbraw/zinc/44/98/31/490449831.db2.gz BXEZNWCGEOBEDL-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468792331 490449836 /nfs/dbraw/zinc/44/98/36/490449836.db2.gz BXEZNWCGEOBEDL-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP CO[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](C[NH3+])C1 ZINC000564802222 491327699 /nfs/dbraw/zinc/32/76/99/491327699.db2.gz KCAALVDFSHOBSD-HZPDHXFCSA-N 2 2 366.531 0.830 20 0 FCADLP O=C(C[NH+]1CCC(OCCO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000535246161 490468664 /nfs/dbraw/zinc/46/86/64/490468664.db2.gz HYLLJGUYZMQVOB-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755787 490470209 /nfs/dbraw/zinc/47/02/09/490470209.db2.gz HBGQHFWDXWAESN-OCCSQVGLSA-N 2 2 361.895 0.975 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000422759569 490472144 /nfs/dbraw/zinc/47/21/44/490472144.db2.gz LAIYDXPMHVOERY-CABCVRRESA-N 3 2 354.520 0.838 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000422805973 490478136 /nfs/dbraw/zinc/47/81/36/490478136.db2.gz MVOIMRZOTFCVHT-CQSZACIVSA-N 2 2 353.488 0.751 20 0 FCADLP C[C@@](O)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000500056165 490481010 /nfs/dbraw/zinc/48/10/10/490481010.db2.gz PPXBJIBRNLJKRB-LJQANCHMSA-N 2 2 358.442 0.744 20 0 FCADLP C[C@](O)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000500056161 490481197 /nfs/dbraw/zinc/48/11/97/490481197.db2.gz PPXBJIBRNLJKRB-IBGZPJMESA-N 2 2 358.442 0.744 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998310 490483869 /nfs/dbraw/zinc/48/38/69/490483869.db2.gz UTJOJCMGIKULIA-KDOFPFPSSA-N 2 2 355.479 0.629 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998310 490483872 /nfs/dbraw/zinc/48/38/72/490483872.db2.gz UTJOJCMGIKULIA-KDOFPFPSSA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889609 490491297 /nfs/dbraw/zinc/49/12/97/490491297.db2.gz PWVRGZGSXPPRJE-LSDHHAIUSA-N 3 2 354.495 0.237 20 0 FCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889609 490491300 /nfs/dbraw/zinc/49/13/00/490491300.db2.gz PWVRGZGSXPPRJE-LSDHHAIUSA-N 3 2 354.495 0.237 20 0 FCADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCSC1 ZINC000564847397 491330694 /nfs/dbraw/zinc/33/06/94/491330694.db2.gz CNIIJWMWDAVCFY-ACJLOTCBSA-N 2 2 363.483 0.670 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422932004 490499799 /nfs/dbraw/zinc/49/97/99/490499799.db2.gz DNKZGNQCGFRDCS-HOCLYGCPSA-N 2 2 371.503 0.468 20 0 FCADLP C[C@@H](O)CNc1cc(NCC(=O)NCC[NH+]2CCCCCC2)nc[nH+]1 ZINC000413305926 490501320 /nfs/dbraw/zinc/50/13/20/490501320.db2.gz TWNBQEROZOUZFG-CQSZACIVSA-N 2 2 350.467 0.673 20 0 FCADLP C[C@@H](O)CNc1cc(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]cn1 ZINC000413305926 490501325 /nfs/dbraw/zinc/50/13/25/490501325.db2.gz TWNBQEROZOUZFG-CQSZACIVSA-N 2 2 350.467 0.673 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)n1C ZINC000564856085 491331932 /nfs/dbraw/zinc/33/19/32/491331932.db2.gz VNIRSOSOSQQDKG-CYBMUJFWSA-N 2 2 357.414 0.233 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535636518 490509006 /nfs/dbraw/zinc/50/90/06/490509006.db2.gz ZZQTVPJZCPZWOK-HOTGVXAUSA-N 2 2 353.511 0.711 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535636518 490509012 /nfs/dbraw/zinc/50/90/12/490509012.db2.gz ZZQTVPJZCPZWOK-HOTGVXAUSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H](C)[NH2+]1 ZINC000423019240 490521643 /nfs/dbraw/zinc/52/16/43/490521643.db2.gz UUVMWQAEFYZSQO-OKILXGFUSA-N 2 2 350.488 0.601 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000423021226 490521806 /nfs/dbraw/zinc/52/18/06/490521806.db2.gz BOSJFGZLOGXQFU-DLBZAZTESA-N 2 2 360.458 0.078 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000423021226 490521814 /nfs/dbraw/zinc/52/18/14/490521814.db2.gz BOSJFGZLOGXQFU-DLBZAZTESA-N 2 2 360.458 0.078 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025390 490523025 /nfs/dbraw/zinc/52/30/25/490523025.db2.gz LRBADIKGYDSGRS-UHOSZYNNSA-N 3 2 362.518 0.632 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000423029175 490524805 /nfs/dbraw/zinc/52/48/05/490524805.db2.gz RVCUCOOOWYXDFR-AEFFLSMTSA-N 2 2 358.486 0.960 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000423029175 490524809 /nfs/dbraw/zinc/52/48/09/490524809.db2.gz RVCUCOOOWYXDFR-AEFFLSMTSA-N 2 2 358.486 0.960 20 0 FCADLP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000423054380 490529991 /nfs/dbraw/zinc/52/99/91/490529991.db2.gz UQXCSQBAIFHPBM-INIZCTEOSA-N 2 2 364.877 0.934 20 0 FCADLP [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000423054380 490529996 /nfs/dbraw/zinc/52/99/96/490529996.db2.gz UQXCSQBAIFHPBM-INIZCTEOSA-N 2 2 364.877 0.934 20 0 FCADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889552 491333808 /nfs/dbraw/zinc/33/38/08/491333808.db2.gz BAHSAPCBWWWCJA-CABCVRRESA-N 2 2 352.504 0.531 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1-n1cnnn1 ZINC000524304434 490531925 /nfs/dbraw/zinc/53/19/25/490531925.db2.gz CTHCDKHUCPIHLX-UHFFFAOYSA-N 2 2 363.491 0.822 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sccc1-n1cnnn1 ZINC000524304434 490531928 /nfs/dbraw/zinc/53/19/28/490531928.db2.gz CTHCDKHUCPIHLX-UHFFFAOYSA-N 2 2 363.491 0.822 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059839 490534101 /nfs/dbraw/zinc/53/41/01/490534101.db2.gz GVVCXWFIPRHBKM-CABCVRRESA-N 2 2 352.479 0.988 20 0 FCADLP O=S(=O)(CCCS(=O)(=O)N1CCc2c[nH+]ccc21)Nc1c[nH+]c[nH]1 ZINC000571894443 491335765 /nfs/dbraw/zinc/33/57/65/491335765.db2.gz IVPUULOCNUUVEV-UHFFFAOYSA-N 2 2 371.444 0.329 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000485808497 490560385 /nfs/dbraw/zinc/56/03/85/490560385.db2.gz AHEHILWDRBRSKI-JKSUJKDBSA-N 2 2 364.494 0.679 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1-n1cncn1 ZINC000486022721 490583973 /nfs/dbraw/zinc/58/39/73/490583973.db2.gz GZJPCLJNPWVSNS-QGZVFWFLSA-N 2 2 354.458 0.972 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1-n1cncn1 ZINC000486022721 490583978 /nfs/dbraw/zinc/58/39/78/490583978.db2.gz GZJPCLJNPWVSNS-QGZVFWFLSA-N 2 2 354.458 0.972 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000536531282 490587111 /nfs/dbraw/zinc/58/71/11/490587111.db2.gz DHJKWHLSHDNCPL-SFHVURJKSA-N 2 2 368.485 0.368 20 0 FCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000536531282 490587115 /nfs/dbraw/zinc/58/71/15/490587115.db2.gz DHJKWHLSHDNCPL-SFHVURJKSA-N 2 2 368.485 0.368 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000536524344 490587242 /nfs/dbraw/zinc/58/72/42/490587242.db2.gz CUYPZNGRCGPKKK-INIZCTEOSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000536524344 490587244 /nfs/dbraw/zinc/58/72/44/490587244.db2.gz CUYPZNGRCGPKKK-INIZCTEOSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000536524344 490587247 /nfs/dbraw/zinc/58/72/47/490587247.db2.gz CUYPZNGRCGPKKK-INIZCTEOSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000536524344 490587251 /nfs/dbraw/zinc/58/72/51/490587251.db2.gz CUYPZNGRCGPKKK-INIZCTEOSA-N 2 2 370.563 0.826 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000525228681 490587833 /nfs/dbraw/zinc/58/78/33/490587833.db2.gz NTPVNEWHZGIFMU-UHFFFAOYSA-N 2 2 373.461 0.998 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000564944015 491338567 /nfs/dbraw/zinc/33/85/67/491338567.db2.gz DWOAGKNPUYIBAR-DLBZAZTESA-N 2 2 374.485 0.405 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000564944015 491338569 /nfs/dbraw/zinc/33/85/69/491338569.db2.gz DWOAGKNPUYIBAR-DLBZAZTESA-N 2 2 374.485 0.405 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000571943553 491338998 /nfs/dbraw/zinc/33/89/98/491338998.db2.gz ZNOHQNPUTYICLL-KRWDZBQOSA-N 2 2 357.458 0.679 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000486377724 490616044 /nfs/dbraw/zinc/61/60/44/490616044.db2.gz SLBWIUPQANUTCP-OAHLLOKOSA-N 2 2 362.478 0.092 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000486377724 490616047 /nfs/dbraw/zinc/61/60/47/490616047.db2.gz SLBWIUPQANUTCP-OAHLLOKOSA-N 2 2 362.478 0.092 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000549985303 490617993 /nfs/dbraw/zinc/61/79/93/490617993.db2.gz HZBCPLSKYARALQ-RHSMWYFYSA-N 2 2 374.485 0.767 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000549985303 490617997 /nfs/dbraw/zinc/61/79/97/490617997.db2.gz HZBCPLSKYARALQ-RHSMWYFYSA-N 2 2 374.485 0.767 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000501612535 490624073 /nfs/dbraw/zinc/62/40/73/490624073.db2.gz JTILBUICORLVDC-JKSUJKDBSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000501612535 490624077 /nfs/dbraw/zinc/62/40/77/490624077.db2.gz JTILBUICORLVDC-JKSUJKDBSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486439746 490625013 /nfs/dbraw/zinc/62/50/13/490625013.db2.gz SIQCLFAUXFLFHQ-OAHLLOKOSA-N 2 2 374.441 0.640 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486439746 490625020 /nfs/dbraw/zinc/62/50/20/490625020.db2.gz SIQCLFAUXFLFHQ-OAHLLOKOSA-N 2 2 374.441 0.640 20 0 FCADLP O=C1[C@@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448212 490628417 /nfs/dbraw/zinc/62/84/17/490628417.db2.gz QNHXDBBLULEEAE-YOEHRIQHSA-N 2 2 360.433 0.827 20 0 FCADLP O=C1[C@@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448212 490628423 /nfs/dbraw/zinc/62/84/23/490628423.db2.gz QNHXDBBLULEEAE-YOEHRIQHSA-N 2 2 360.433 0.827 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486453379 490628611 /nfs/dbraw/zinc/62/86/11/490628611.db2.gz FSEXNBOYABIPLH-OAHLLOKOSA-N 2 2 359.430 0.231 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486453379 490628619 /nfs/dbraw/zinc/62/86/19/490628619.db2.gz FSEXNBOYABIPLH-OAHLLOKOSA-N 2 2 359.430 0.231 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486449354 490628666 /nfs/dbraw/zinc/62/86/66/490628666.db2.gz SXRXTKPIBHTVKE-HUUCEWRRSA-N 2 2 362.478 0.260 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486449354 490628669 /nfs/dbraw/zinc/62/86/69/490628669.db2.gz SXRXTKPIBHTVKE-HUUCEWRRSA-N 2 2 362.478 0.260 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486456281 490630064 /nfs/dbraw/zinc/63/00/64/490630064.db2.gz DNJZNLBTZOKDAV-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486456281 490630069 /nfs/dbraw/zinc/63/00/69/490630069.db2.gz DNJZNLBTZOKDAV-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460229 490632668 /nfs/dbraw/zinc/63/26/68/490632668.db2.gz MIFICLOPQKUPAS-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460229 490632671 /nfs/dbraw/zinc/63/26/71/490632671.db2.gz MIFICLOPQKUPAS-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)s1 ZINC000486460792 490632784 /nfs/dbraw/zinc/63/27/84/490632784.db2.gz NCLRECCACXPVQE-GFCCVEGCSA-N 2 2 370.906 0.914 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)s1 ZINC000486460792 490632788 /nfs/dbraw/zinc/63/27/88/490632788.db2.gz NCLRECCACXPVQE-GFCCVEGCSA-N 2 2 370.906 0.914 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCCc1ccccc1 ZINC000486460484 490632831 /nfs/dbraw/zinc/63/28/31/490632831.db2.gz NFDHIGGQOHMNQQ-GOSISDBHSA-N 2 2 358.486 0.632 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCCc1ccccc1 ZINC000486460484 490632837 /nfs/dbraw/zinc/63/28/37/490632837.db2.gz NFDHIGGQOHMNQQ-GOSISDBHSA-N 2 2 358.486 0.632 20 0 FCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460028 490633224 /nfs/dbraw/zinc/63/32/24/490633224.db2.gz AGQMVRCUGIBQKY-RHSMWYFYSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460028 490633229 /nfs/dbraw/zinc/63/32/29/490633229.db2.gz AGQMVRCUGIBQKY-RHSMWYFYSA-N 2 2 362.449 0.727 20 0 FCADLP CCS(=O)(=O)NCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511861332 490633907 /nfs/dbraw/zinc/63/39/07/490633907.db2.gz VWIMWSOSILUKCP-UHFFFAOYSA-N 2 2 368.547 0.675 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511861332 490633914 /nfs/dbraw/zinc/63/39/14/490633914.db2.gz VWIMWSOSILUKCP-UHFFFAOYSA-N 2 2 368.547 0.675 20 0 FCADLP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459397 490633971 /nfs/dbraw/zinc/63/39/71/490633971.db2.gz UTEANEYALSJXLI-ZDUSSCGKSA-N 2 2 364.412 0.682 20 0 FCADLP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459397 490633977 /nfs/dbraw/zinc/63/39/77/490633977.db2.gz UTEANEYALSJXLI-ZDUSSCGKSA-N 2 2 364.412 0.682 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC[C@H]1Cc2ccccc2O1 ZINC000486463555 490634613 /nfs/dbraw/zinc/63/46/13/490634613.db2.gz SZHFXXPKEZAYSH-IAGOWNOFSA-N 2 2 372.469 0.003 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC[C@H]1Cc2ccccc2O1 ZINC000486463555 490634619 /nfs/dbraw/zinc/63/46/19/490634619.db2.gz SZHFXXPKEZAYSH-IAGOWNOFSA-N 2 2 372.469 0.003 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001201 491341976 /nfs/dbraw/zinc/34/19/76/491341976.db2.gz BEWWFQKTKXAEDV-OALUTQOASA-N 3 2 359.518 0.385 20 0 FCADLP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000511952794 490642022 /nfs/dbraw/zinc/64/20/22/490642022.db2.gz BNLZBWAESPEVFE-UHFFFAOYSA-N 2 2 374.489 0.187 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000537083487 490645663 /nfs/dbraw/zinc/64/56/63/490645663.db2.gz VDFSFBNDOLXFCE-AWEZNQCLSA-N 2 2 373.461 0.880 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000550258885 490648509 /nfs/dbraw/zinc/64/85/09/490648509.db2.gz HYJUGDOVMJHKBK-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277474 490651172 /nfs/dbraw/zinc/65/11/72/490651172.db2.gz NTYHLONCPAETDY-HZPDHXFCSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277474 490651175 /nfs/dbraw/zinc/65/11/75/490651175.db2.gz NTYHLONCPAETDY-HZPDHXFCSA-N 2 2 356.511 0.306 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCCO1 ZINC000572013344 491342745 /nfs/dbraw/zinc/34/27/45/491342745.db2.gz UTOFAFUCLRLDON-ROUUACIJSA-N 2 2 362.474 0.819 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000550294204 490656001 /nfs/dbraw/zinc/65/60/01/490656001.db2.gz CNCHWXYCPBXEQF-INIZCTEOSA-N 2 2 357.458 0.792 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000550294204 490656007 /nfs/dbraw/zinc/65/60/07/490656007.db2.gz CNCHWXYCPBXEQF-INIZCTEOSA-N 2 2 357.458 0.792 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000550361342 490664446 /nfs/dbraw/zinc/66/44/46/490664446.db2.gz ATCCTWOPHYREOI-HUUCEWRRSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H](COCC3CC3)C2)CC1 ZINC000486887947 490678896 /nfs/dbraw/zinc/67/88/96/490678896.db2.gz PVCRXVPGAQOUMX-GOSISDBHSA-N 2 2 368.522 0.849 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC3(C[NH3+])CC3)c2)CC1 ZINC000565029112 491346624 /nfs/dbraw/zinc/34/66/24/491346624.db2.gz WRIGCXNTIOGHPJ-UHFFFAOYSA-N 2 2 366.487 0.690 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000537487062 490679677 /nfs/dbraw/zinc/67/96/77/490679677.db2.gz HCXFYGHCQDDJGS-HOCLYGCPSA-N 2 2 355.504 0.298 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000502440268 490705106 /nfs/dbraw/zinc/70/51/06/490705106.db2.gz ZPVOZFSJKSOBMC-RHSMWYFYSA-N 2 2 360.462 0.691 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000502440268 490705110 /nfs/dbraw/zinc/70/51/10/490705110.db2.gz ZPVOZFSJKSOBMC-RHSMWYFYSA-N 2 2 360.462 0.691 20 0 FCADLP O=S1(=O)CCO[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000513155231 490711443 /nfs/dbraw/zinc/71/14/43/490711443.db2.gz VCQBVQBQUYSGID-LBPRGKRZSA-N 2 2 360.399 0.436 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000513201723 490713547 /nfs/dbraw/zinc/71/35/47/490713547.db2.gz KTTJDLAIRICIFA-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@@H](C)C1 ZINC000538126682 490714265 /nfs/dbraw/zinc/71/42/65/490714265.db2.gz WINVLUIJDDVKQP-AWEZNQCLSA-N 2 2 358.508 0.314 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@@H](C)C1 ZINC000538126682 490714266 /nfs/dbraw/zinc/71/42/66/490714266.db2.gz WINVLUIJDDVKQP-AWEZNQCLSA-N 2 2 358.508 0.314 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008945 491349040 /nfs/dbraw/zinc/34/90/40/491349040.db2.gz GZJRXIUTUIXLQW-SJLPKXTDSA-N 2 2 356.470 0.855 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008945 491349042 /nfs/dbraw/zinc/34/90/42/491349042.db2.gz GZJRXIUTUIXLQW-SJLPKXTDSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008945 491349043 /nfs/dbraw/zinc/34/90/43/491349043.db2.gz GZJRXIUTUIXLQW-SJLPKXTDSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000557008945 491349044 /nfs/dbraw/zinc/34/90/44/491349044.db2.gz GZJRXIUTUIXLQW-SJLPKXTDSA-N 2 2 356.470 0.855 20 0 FCADLP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305483 490715935 /nfs/dbraw/zinc/71/59/35/490715935.db2.gz BQCVYUXAZLTSRA-NKPHKUNOSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305483 490715938 /nfs/dbraw/zinc/71/59/38/490715938.db2.gz BQCVYUXAZLTSRA-NKPHKUNOSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000527305483 490715942 /nfs/dbraw/zinc/71/59/42/490715942.db2.gz BQCVYUXAZLTSRA-NKPHKUNOSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000527305483 490715946 /nfs/dbraw/zinc/71/59/46/490715946.db2.gz BQCVYUXAZLTSRA-NKPHKUNOSA-N 2 2 362.518 0.794 20 0 FCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@H]2C1 ZINC000502704135 490717105 /nfs/dbraw/zinc/71/71/05/490717105.db2.gz XOUABRUSRPWRJY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@H]2C1 ZINC000502704135 490717107 /nfs/dbraw/zinc/71/71/07/490717107.db2.gz XOUABRUSRPWRJY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)[C@H]2C1 ZINC000502704135 490717108 /nfs/dbraw/zinc/71/71/08/490717108.db2.gz XOUABRUSRPWRJY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)[C@H]2C1 ZINC000502704135 490717111 /nfs/dbraw/zinc/71/71/11/490717111.db2.gz XOUABRUSRPWRJY-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP O=C(NCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1cnccn1 ZINC000502744259 490718169 /nfs/dbraw/zinc/71/81/69/490718169.db2.gz NEAWZMRBUKBHAF-UHFFFAOYSA-N 2 2 361.369 0.842 20 0 FCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000502851437 490725412 /nfs/dbraw/zinc/72/54/12/490725412.db2.gz MEVWWUYELVILRP-ROUUACIJSA-N 2 2 358.486 0.835 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000487700129 490726660 /nfs/dbraw/zinc/72/66/60/490726660.db2.gz YHTFJQMQXSQHBE-UHFFFAOYSA-N 2 2 350.467 0.467 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000513497714 490735362 /nfs/dbraw/zinc/73/53/62/490735362.db2.gz AUVXPIVTCGUHFZ-GJZGRUSLSA-N 2 2 361.490 0.869 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000513497713 490735598 /nfs/dbraw/zinc/73/55/98/490735598.db2.gz AUVXPIVTCGUHFZ-CABCVRRESA-N 2 2 361.490 0.869 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000538587455 490739374 /nfs/dbraw/zinc/73/93/74/490739374.db2.gz GDSIMOYFKPLNCK-IRXDYDNUSA-N 2 2 367.515 0.442 20 0 FCADLP CC[N@H+](CCOCCO)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503435916 490756237 /nfs/dbraw/zinc/75/62/37/490756237.db2.gz JEVLZZHDIHJWGR-INIZCTEOSA-N 2 2 350.463 0.450 20 0 FCADLP CC[N@@H+](CCOCCO)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503435916 490756239 /nfs/dbraw/zinc/75/62/39/490756239.db2.gz JEVLZZHDIHJWGR-INIZCTEOSA-N 2 2 350.463 0.450 20 0 FCADLP CC[N@H+](CCOCCO)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503435917 490756267 /nfs/dbraw/zinc/75/62/67/490756267.db2.gz JEVLZZHDIHJWGR-MRXNPFEDSA-N 2 2 350.463 0.450 20 0 FCADLP CC[N@@H+](CCOCCO)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503435917 490756269 /nfs/dbraw/zinc/75/62/69/490756269.db2.gz JEVLZZHDIHJWGR-MRXNPFEDSA-N 2 2 350.463 0.450 20 0 FCADLP C[C@@H](c1nccs1)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514186292 490765478 /nfs/dbraw/zinc/76/54/78/490765478.db2.gz JKIDHNJVJIVVPF-HNNXBMFYSA-N 2 2 351.520 0.986 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000557116718 491354143 /nfs/dbraw/zinc/35/41/43/491354143.db2.gz BLSFBCVWQZUBMX-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000557116718 491354145 /nfs/dbraw/zinc/35/41/45/491354145.db2.gz BLSFBCVWQZUBMX-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000557122232 491354473 /nfs/dbraw/zinc/35/44/73/491354473.db2.gz QPJODALUUAEJRW-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000539474363 490784912 /nfs/dbraw/zinc/78/49/12/490784912.db2.gz WRXCYTNXYBERLJ-GOSISDBHSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000539474363 490784914 /nfs/dbraw/zinc/78/49/14/490784914.db2.gz WRXCYTNXYBERLJ-GOSISDBHSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000539474363 490784915 /nfs/dbraw/zinc/78/49/15/490784915.db2.gz WRXCYTNXYBERLJ-GOSISDBHSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000539474363 490784917 /nfs/dbraw/zinc/78/49/17/490784917.db2.gz WRXCYTNXYBERLJ-GOSISDBHSA-N 2 2 374.485 0.550 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CCC2 ZINC000514730165 490785055 /nfs/dbraw/zinc/78/50/55/490785055.db2.gz QUTRNECYFMAUNC-HZPDHXFCSA-N 2 2 359.474 0.882 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@H+]3CCCC[C@@H]3C1)CCC2 ZINC000514730165 490785057 /nfs/dbraw/zinc/78/50/57/490785057.db2.gz QUTRNECYFMAUNC-HZPDHXFCSA-N 2 2 359.474 0.882 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000557135725 491355983 /nfs/dbraw/zinc/35/59/83/491355983.db2.gz NFEQVUCNTGNTKI-MRXNPFEDSA-N 2 2 360.437 0.853 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000514861904 490793842 /nfs/dbraw/zinc/79/38/42/490793842.db2.gz WBSXVAHHZPRRLW-AWEZNQCLSA-N 2 2 353.488 0.846 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)n2C ZINC000539783206 490795888 /nfs/dbraw/zinc/79/58/88/490795888.db2.gz ICHQPDIHAUCCGM-CQSZACIVSA-N 2 2 372.473 0.971 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000539797722 490796329 /nfs/dbraw/zinc/79/63/29/490796329.db2.gz PKUIVLJQOBMFTK-OAHLLOKOSA-N 2 2 372.429 0.226 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C1=CC[N@H+](C)CC1 ZINC000515018066 490803330 /nfs/dbraw/zinc/80/33/30/490803330.db2.gz GSSKMTIHQRKJKU-CQSZACIVSA-N 2 2 359.474 0.944 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C1=CC[N@@H+](C)CC1 ZINC000515018066 490803331 /nfs/dbraw/zinc/80/33/31/490803331.db2.gz GSSKMTIHQRKJKU-CQSZACIVSA-N 2 2 359.474 0.944 20 0 FCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000515042858 490804682 /nfs/dbraw/zinc/80/46/82/490804682.db2.gz NATDEUJWBRFLMR-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000515042858 490804684 /nfs/dbraw/zinc/80/46/84/490804684.db2.gz NATDEUJWBRFLMR-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000557159960 491357366 /nfs/dbraw/zinc/35/73/66/491357366.db2.gz PYUAXWWDTUQALL-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000557159960 491357368 /nfs/dbraw/zinc/35/73/68/491357368.db2.gz PYUAXWWDTUQALL-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000557159950 491357430 /nfs/dbraw/zinc/35/74/30/491357430.db2.gz PYUAXWWDTUQALL-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000557159950 491357432 /nfs/dbraw/zinc/35/74/32/491357432.db2.gz PYUAXWWDTUQALL-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171585 490811388 /nfs/dbraw/zinc/81/13/88/490811388.db2.gz RQKHTMPWLGHRPH-UKRRQHHQSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171585 490811389 /nfs/dbraw/zinc/81/13/89/490811389.db2.gz RQKHTMPWLGHRPH-UKRRQHHQSA-N 2 2 366.849 0.079 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000540265927 490812120 /nfs/dbraw/zinc/81/21/20/490812120.db2.gz SZHCLSUSCYLHSJ-HOTGVXAUSA-N 2 2 368.503 0.691 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515187281 490812489 /nfs/dbraw/zinc/81/24/89/490812489.db2.gz VXVCBSCAVMISSI-SJORKVTESA-N 2 2 373.501 0.121 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1F ZINC000515374186 490822190 /nfs/dbraw/zinc/82/21/90/490822190.db2.gz GVEPHCJPYXWMNR-UHFFFAOYSA-N 2 2 361.421 0.907 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528719675 490822466 /nfs/dbraw/zinc/82/24/66/490822466.db2.gz KHTBXRRITCGIAQ-UHFFFAOYSA-N 2 2 361.446 0.582 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000557229835 491360787 /nfs/dbraw/zinc/36/07/87/491360787.db2.gz VBDZXDJLCGQMCT-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000557229835 491360790 /nfs/dbraw/zinc/36/07/90/491360790.db2.gz VBDZXDJLCGQMCT-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP COC[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000557234494 491360896 /nfs/dbraw/zinc/36/08/96/491360896.db2.gz WACWYDBDXHAQRW-KRWDZBQOSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515814642 490839276 /nfs/dbraw/zinc/83/92/76/490839276.db2.gz OOSGJCCMCFYBDS-HNNXBMFYSA-N 2 2 352.504 0.882 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000515842084 490840531 /nfs/dbraw/zinc/84/05/31/490840531.db2.gz LXBPXKSUFZREFI-CQSZACIVSA-N 2 2 350.488 0.514 20 0 FCADLP C[N@H+]1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000515842084 490840532 /nfs/dbraw/zinc/84/05/32/490840532.db2.gz LXBPXKSUFZREFI-CQSZACIVSA-N 2 2 350.488 0.514 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515846920 490840564 /nfs/dbraw/zinc/84/05/64/490840564.db2.gz MCPNEYASINGYIW-IRXDYDNUSA-N 2 2 373.505 0.525 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515846920 490840565 /nfs/dbraw/zinc/84/05/65/490840565.db2.gz MCPNEYASINGYIW-IRXDYDNUSA-N 2 2 373.505 0.525 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515850357 490841195 /nfs/dbraw/zinc/84/11/95/490841195.db2.gz BYXYYQQONHYZBU-AWEZNQCLSA-N 2 2 356.430 0.196 20 0 FCADLP Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515850357 490841198 /nfs/dbraw/zinc/84/11/98/490841198.db2.gz BYXYYQQONHYZBU-AWEZNQCLSA-N 2 2 356.430 0.196 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C)C[NH2+]1 ZINC000516027851 490846716 /nfs/dbraw/zinc/84/67/16/490846716.db2.gz ZMENLQQKZVTIKE-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP COc1ccc([C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000529284472 490847573 /nfs/dbraw/zinc/84/75/73/490847573.db2.gz OLGLOAKXUGJFDO-ZBFHGGJFSA-N 2 2 359.430 0.806 20 0 FCADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014004 490847585 /nfs/dbraw/zinc/84/75/85/490847585.db2.gz WQLLFKBBCBQOID-SJLPKXTDSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014004 490847588 /nfs/dbraw/zinc/84/75/88/490847588.db2.gz WQLLFKBBCBQOID-SJLPKXTDSA-N 2 2 361.486 0.838 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182094 490855115 /nfs/dbraw/zinc/85/51/15/490855115.db2.gz ISBQOZHGSDHVOE-ROUUACIJSA-N 2 2 370.497 0.949 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182094 490855118 /nfs/dbraw/zinc/85/51/18/490855118.db2.gz ISBQOZHGSDHVOE-ROUUACIJSA-N 2 2 370.497 0.949 20 0 FCADLP COCCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000516185775 490855272 /nfs/dbraw/zinc/85/52/72/490855272.db2.gz MHGDSUZKUMBQRG-MRXNPFEDSA-N 2 2 367.519 0.622 20 0 FCADLP COCCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000516185775 490855275 /nfs/dbraw/zinc/85/52/75/490855275.db2.gz MHGDSUZKUMBQRG-MRXNPFEDSA-N 2 2 367.519 0.622 20 0 FCADLP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000541258257 490856802 /nfs/dbraw/zinc/85/68/02/490856802.db2.gz PMPZCBWNGYNPAO-NVXWUHKLSA-N 2 2 362.474 0.544 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000516291380 490859860 /nfs/dbraw/zinc/85/98/60/490859860.db2.gz SRMNKDCWTXFKHP-CQSZACIVSA-N 2 2 353.488 0.703 20 0 FCADLP COCCOc1cc2c(cc1C[N@@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)OCO2 ZINC000565233079 491362350 /nfs/dbraw/zinc/36/23/50/491362350.db2.gz IXCSYHKSNJGZAV-KBPBESRZSA-N 2 2 363.414 0.184 20 0 FCADLP COCCOc1cc2c(cc1C[N@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)OCO2 ZINC000565233079 491362354 /nfs/dbraw/zinc/36/23/54/491362354.db2.gz IXCSYHKSNJGZAV-KBPBESRZSA-N 2 2 363.414 0.184 20 0 FCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000541548486 490865804 /nfs/dbraw/zinc/86/58/04/490865804.db2.gz LPQROXZLPYLBIU-HZPDHXFCSA-N 2 2 368.503 0.691 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)[C@H](C[NH3+])C1 ZINC000516634587 490871694 /nfs/dbraw/zinc/87/16/94/490871694.db2.gz RIWCPOWDOUUKCS-CQSZACIVSA-N 2 2 365.444 0.935 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)[C@H](C[NH3+])C1 ZINC000516634587 490871696 /nfs/dbraw/zinc/87/16/96/490871696.db2.gz RIWCPOWDOUUKCS-CQSZACIVSA-N 2 2 365.444 0.935 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@H+]1C)CC2 ZINC000529751885 490872828 /nfs/dbraw/zinc/87/28/28/490872828.db2.gz IUMPVZGASWFIAQ-KXBFYZLASA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@@H+]1C)CC2 ZINC000529751885 490872830 /nfs/dbraw/zinc/87/28/30/490872830.db2.gz IUMPVZGASWFIAQ-KXBFYZLASA-N 2 2 362.474 0.486 20 0 FCADLP C[NH+]1CCC(CCO)(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000541852806 490875387 /nfs/dbraw/zinc/87/53/87/490875387.db2.gz LWVHBDLAOLIMNW-UHFFFAOYSA-N 2 2 361.490 0.167 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000516977989 490888741 /nfs/dbraw/zinc/88/87/41/490888741.db2.gz QSZIVVIMMDJELX-LJQANCHMSA-N 2 2 374.529 0.896 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000516977989 490888744 /nfs/dbraw/zinc/88/87/44/490888744.db2.gz QSZIVVIMMDJELX-LJQANCHMSA-N 2 2 374.529 0.896 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCC(C)(C)CO ZINC000516983877 490889176 /nfs/dbraw/zinc/88/91/76/490889176.db2.gz KOFAMUZQYJPDTM-UHFFFAOYSA-N 2 2 370.538 0.386 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCC(C)(C)CO ZINC000516983877 490889178 /nfs/dbraw/zinc/88/91/78/490889178.db2.gz KOFAMUZQYJPDTM-UHFFFAOYSA-N 2 2 370.538 0.386 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000517089689 490895139 /nfs/dbraw/zinc/89/51/39/490895139.db2.gz ARRMWKKGJYXAQH-CQSZACIVSA-N 2 2 358.446 0.721 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000517089689 490895141 /nfs/dbraw/zinc/89/51/41/490895141.db2.gz ARRMWKKGJYXAQH-CQSZACIVSA-N 2 2 358.446 0.721 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000517125851 490896001 /nfs/dbraw/zinc/89/60/01/490896001.db2.gz CJMONQMKLZTTBN-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000517208093 490898972 /nfs/dbraw/zinc/89/89/72/490898972.db2.gz TYFZAHHJPKRCPL-UHFFFAOYSA-N 2 2 371.416 0.872 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000530422655 490905007 /nfs/dbraw/zinc/90/50/07/490905007.db2.gz NDLFTYGNIOZLKE-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000542761777 490907465 /nfs/dbraw/zinc/90/74/65/490907465.db2.gz UMSGJISFJSWWCN-CVEARBPZSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000542761777 490907467 /nfs/dbraw/zinc/90/74/67/490907467.db2.gz UMSGJISFJSWWCN-CVEARBPZSA-N 2 2 374.551 0.621 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000543079480 490921469 /nfs/dbraw/zinc/92/14/69/490921469.db2.gz KUXWBZXIYQSYTO-WBVHZDCISA-N 2 2 368.522 0.402 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000543079480 490921471 /nfs/dbraw/zinc/92/14/71/490921471.db2.gz KUXWBZXIYQSYTO-WBVHZDCISA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881155 490923212 /nfs/dbraw/zinc/92/32/12/490923212.db2.gz ZOGKEQMHNJSBAF-HKUYNNGSSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881155 490923213 /nfs/dbraw/zinc/92/32/13/490923213.db2.gz ZOGKEQMHNJSBAF-HKUYNNGSSA-N 2 2 360.502 0.812 20 0 FCADLP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000517930505 490925018 /nfs/dbraw/zinc/92/50/18/490925018.db2.gz VRWKYDRZCACZBZ-KRWDZBQOSA-N 2 2 354.458 0.988 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246097 490947965 /nfs/dbraw/zinc/94/79/65/490947965.db2.gz GGQRYDZDILSXSK-JKSUJKDBSA-N 2 2 365.522 0.711 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246097 490947967 /nfs/dbraw/zinc/94/79/67/490947967.db2.gz GGQRYDZDILSXSK-JKSUJKDBSA-N 2 2 365.522 0.711 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301106 490951208 /nfs/dbraw/zinc/95/12/08/490951208.db2.gz XGVRNQXQWCIEIO-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301106 490951210 /nfs/dbraw/zinc/95/12/10/490951210.db2.gz XGVRNQXQWCIEIO-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000518824454 490953141 /nfs/dbraw/zinc/95/31/41/490953141.db2.gz ZAQQWYYVSNGYTI-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000518824454 490953144 /nfs/dbraw/zinc/95/31/44/490953144.db2.gz ZAQQWYYVSNGYTI-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000572384740 491366652 /nfs/dbraw/zinc/36/66/52/491366652.db2.gz MIUIDMNDTWRSAV-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000572384740 491366653 /nfs/dbraw/zinc/36/66/53/491366653.db2.gz MIUIDMNDTWRSAV-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000519018754 490959264 /nfs/dbraw/zinc/95/92/64/490959264.db2.gz YDJMQQLRXULVQF-MRXNPFEDSA-N 2 2 363.510 0.628 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H](C)C[NH2+]1 ZINC000519407320 490971508 /nfs/dbraw/zinc/97/15/08/490971508.db2.gz GHUXRXINHIXANN-SJORKVTESA-N 2 2 372.513 0.948 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)NCC(F)(F)C[NH3+])c2cccs2)CC1 ZINC000565293760 491367718 /nfs/dbraw/zinc/36/77/18/491367718.db2.gz PGJXNVAELHIITI-LBPRGKRZSA-N 2 2 361.462 0.930 20 0 FCADLP O=C(COc1ccc(F)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000519607398 490979352 /nfs/dbraw/zinc/97/93/52/490979352.db2.gz SKUWTMOMDBBZRO-UHFFFAOYSA-N 2 2 350.438 0.254 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000519652425 490982543 /nfs/dbraw/zinc/98/25/43/490982543.db2.gz YOCURGNQJBDFBA-YJBOKZPZSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532429399 490992998 /nfs/dbraw/zinc/99/29/98/490992998.db2.gz VIFIYXACBRNYHU-BRWVUGGUSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532429399 490992999 /nfs/dbraw/zinc/99/29/99/490992999.db2.gz VIFIYXACBRNYHU-BRWVUGGUSA-N 2 2 354.495 0.650 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612441397 491917659 /nfs/dbraw/zinc/91/76/59/491917659.db2.gz ZDEAWORXSDAOQF-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612441397 491917661 /nfs/dbraw/zinc/91/76/61/491917661.db2.gz ZDEAWORXSDAOQF-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000569574636 491169730 /nfs/dbraw/zinc/16/97/30/491169730.db2.gz LBLYJUYRTOCUSO-CQSZACIVSA-N 2 2 353.488 0.529 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cn3)C[C@@H]21 ZINC000562537116 491171744 /nfs/dbraw/zinc/17/17/44/491171744.db2.gz ISHGCSOWRNAGLQ-ZBFHGGJFSA-N 2 2 365.503 0.158 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cn3)C[C@@H]21 ZINC000562537116 491171747 /nfs/dbraw/zinc/17/17/47/491171747.db2.gz ISHGCSOWRNAGLQ-ZBFHGGJFSA-N 2 2 365.503 0.158 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000569656329 491178527 /nfs/dbraw/zinc/17/85/27/491178527.db2.gz LZIKQNQPVNMDGO-CYBMUJFWSA-N 2 2 372.429 1.047 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000569656329 491178530 /nfs/dbraw/zinc/17/85/30/491178530.db2.gz LZIKQNQPVNMDGO-CYBMUJFWSA-N 2 2 372.429 1.047 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000569713556 491184891 /nfs/dbraw/zinc/18/48/91/491184891.db2.gz UPYZMRIIFVNORA-IEBWSBKVSA-N 2 2 370.497 0.707 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000572517984 491375947 /nfs/dbraw/zinc/37/59/47/491375947.db2.gz SORYLDOJXZKSJO-MRXNPFEDSA-N 2 2 366.506 0.015 20 0 FCADLP CCNc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439163 491376733 /nfs/dbraw/zinc/37/67/33/491376733.db2.gz FAQPSMFDLBODBG-CHWSQXEVSA-N 2 2 351.499 0.827 20 0 FCADLP CCNc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439163 491376736 /nfs/dbraw/zinc/37/67/36/491376736.db2.gz FAQPSMFDLBODBG-CHWSQXEVSA-N 2 2 351.499 0.827 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000668351609 493337839 /nfs/dbraw/zinc/33/78/39/493337839.db2.gz ITOQSDYGTRTCJO-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000572619342 491381961 /nfs/dbraw/zinc/38/19/61/491381961.db2.gz HHRIPHICPIMMIV-DAXSKMNVSA-N 2 2 357.502 0.932 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000572626888 491382460 /nfs/dbraw/zinc/38/24/60/491382460.db2.gz AKWKPLPSQPHYSV-PMPSAXMXSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000572626888 491382463 /nfs/dbraw/zinc/38/24/63/491382463.db2.gz AKWKPLPSQPHYSV-PMPSAXMXSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000557560764 491383098 /nfs/dbraw/zinc/38/30/98/491383098.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000557560764 491383100 /nfs/dbraw/zinc/38/31/00/491383100.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000557560764 491383102 /nfs/dbraw/zinc/38/31/02/491383102.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000557560764 491383103 /nfs/dbraw/zinc/38/31/03/491383103.db2.gz DXRUIOGPWJQALW-HNNXBMFYSA-N 3 2 367.538 0.070 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572663154 491385057 /nfs/dbraw/zinc/38/50/57/491385057.db2.gz HCXCFULKXMEPCQ-NVXWUHKLSA-N 2 2 360.458 0.158 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572663154 491385061 /nfs/dbraw/zinc/38/50/61/491385061.db2.gz HCXCFULKXMEPCQ-NVXWUHKLSA-N 2 2 360.458 0.158 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000572706467 491387705 /nfs/dbraw/zinc/38/77/05/491387705.db2.gz GXJMWJDQGWRTDI-AEFFLSMTSA-N 2 2 373.501 0.121 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000572706470 491387886 /nfs/dbraw/zinc/38/78/86/491387886.db2.gz GXJMWJDQGWRTDI-WMZOPIPTSA-N 2 2 373.501 0.121 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000565651711 491391456 /nfs/dbraw/zinc/39/14/56/491391456.db2.gz PWPZRXYQERYTAK-XLAORIBOSA-N 3 2 350.507 0.430 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000557705661 491392391 /nfs/dbraw/zinc/39/23/91/491392391.db2.gz QEYPNKVGAFBDLZ-HOTGVXAUSA-N 2 2 356.511 0.258 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1=O ZINC000557713871 491393297 /nfs/dbraw/zinc/39/32/97/491393297.db2.gz HHEKCNNDYVDZPC-HNNXBMFYSA-N 2 2 356.430 0.675 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000557740446 491395590 /nfs/dbraw/zinc/39/55/90/491395590.db2.gz CIWOHSXTASUPFT-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000557740446 491395591 /nfs/dbraw/zinc/39/55/91/491395591.db2.gz CIWOHSXTASUPFT-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000557740446 491395592 /nfs/dbraw/zinc/39/55/92/491395592.db2.gz CIWOHSXTASUPFT-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000557740446 491395593 /nfs/dbraw/zinc/39/55/93/491395593.db2.gz CIWOHSXTASUPFT-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000565823306 491401365 /nfs/dbraw/zinc/40/13/65/491401365.db2.gz KFAGUVHQGXGHFK-OAHLLOKOSA-N 3 2 355.552 0.632 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000565823306 491401366 /nfs/dbraw/zinc/40/13/66/491401366.db2.gz KFAGUVHQGXGHFK-OAHLLOKOSA-N 3 2 355.552 0.632 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000565912653 491406959 /nfs/dbraw/zinc/40/69/59/491406959.db2.gz NLOUUJWJWFLBFE-INIZCTEOSA-N 2 2 362.478 0.677 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000566006025 491412225 /nfs/dbraw/zinc/41/22/25/491412225.db2.gz MSRIDBCWMNFTMD-KRWDZBQOSA-N 2 2 354.458 0.938 20 0 FCADLP O=C(C[N@H+]1CC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000566006025 491412228 /nfs/dbraw/zinc/41/22/28/491412228.db2.gz MSRIDBCWMNFTMD-KRWDZBQOSA-N 2 2 354.458 0.938 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000573213189 491419740 /nfs/dbraw/zinc/41/97/40/491419740.db2.gz CCVVJGCKZASMIA-KRWDZBQOSA-N 2 2 373.501 0.991 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cccnc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000573222906 491420253 /nfs/dbraw/zinc/42/02/53/491420253.db2.gz SJBOTBISRZQCNR-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cccnc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000573222906 491420256 /nfs/dbraw/zinc/42/02/56/491420256.db2.gz SJBOTBISRZQCNR-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000573271710 491423504 /nfs/dbraw/zinc/42/35/04/491423504.db2.gz XTIDUPAGHLAWPF-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)N1C(=O)c2ccccc2C1=O ZINC000573303806 491424687 /nfs/dbraw/zinc/42/46/87/491424687.db2.gz JSOJDRNIRWCVLI-CQSZACIVSA-N 2 2 372.469 0.813 20 0 FCADLP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573320638 491426391 /nfs/dbraw/zinc/42/63/91/491426391.db2.gz BVEOGIREPLBMHO-SJORKVTESA-N 2 2 366.506 0.333 20 0 FCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000558458578 491431771 /nfs/dbraw/zinc/43/17/71/491431771.db2.gz SDFKAJMMKRZXRK-GOSISDBHSA-N 3 2 368.566 0.858 20 0 FCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000558458578 491431774 /nfs/dbraw/zinc/43/17/74/491431774.db2.gz SDFKAJMMKRZXRK-GOSISDBHSA-N 3 2 368.566 0.858 20 0 FCADLP C[C@]1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000573428386 491432366 /nfs/dbraw/zinc/43/23/66/491432366.db2.gz BYTQQDAWQJLTEU-SFHVURJKSA-N 2 2 361.494 0.288 20 0 FCADLP C[C@H](CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000660322492 493342958 /nfs/dbraw/zinc/34/29/58/493342958.db2.gz AISFMMZKAGZXIX-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP CC(C)CN1C[C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000558740636 491444759 /nfs/dbraw/zinc/44/47/59/491444759.db2.gz BIRPUUZTPFINTA-MRXNPFEDSA-N 2 2 351.495 0.228 20 0 FCADLP CC(C)CN1C[C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000558740636 491444757 /nfs/dbraw/zinc/44/47/57/491444757.db2.gz BIRPUUZTPFINTA-MRXNPFEDSA-N 2 2 351.495 0.228 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000573798670 491455579 /nfs/dbraw/zinc/45/55/79/491455579.db2.gz ZYTAOPXWELUCAP-OAHLLOKOSA-N 2 2 350.488 0.651 20 0 FCADLP C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000573819922 491457444 /nfs/dbraw/zinc/45/74/44/491457444.db2.gz QQDHHDZQJOLHHB-INIZCTEOSA-N 2 2 362.474 0.901 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000573847485 491458780 /nfs/dbraw/zinc/45/87/80/491458780.db2.gz PUMRWYPGOIUVGW-SJLPKXTDSA-N 2 2 358.486 0.774 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)C[C@H](C)O1 ZINC000566673701 491459348 /nfs/dbraw/zinc/45/93/48/491459348.db2.gz XJRAMZGSWIOTEY-SOLBZPMBSA-N 2 2 364.490 0.478 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000566688930 491460496 /nfs/dbraw/zinc/46/04/96/491460496.db2.gz GNSVFQSDRPMQKF-OAHLLOKOSA-N 2 2 351.451 0.327 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000566688930 491460499 /nfs/dbraw/zinc/46/04/99/491460499.db2.gz GNSVFQSDRPMQKF-OAHLLOKOSA-N 2 2 351.451 0.327 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000573929536 491463489 /nfs/dbraw/zinc/46/34/89/491463489.db2.gz FCIWDZLOOATGQG-INIZCTEOSA-N 2 2 373.457 0.424 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000573929536 491463491 /nfs/dbraw/zinc/46/34/91/491463491.db2.gz FCIWDZLOOATGQG-INIZCTEOSA-N 2 2 373.457 0.424 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@@H](C)CO ZINC000559378103 491468255 /nfs/dbraw/zinc/46/82/55/491468255.db2.gz NPTDSMCMMIPUQN-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@@H](C)CO ZINC000559378103 491468258 /nfs/dbraw/zinc/46/82/58/491468258.db2.gz NPTDSMCMMIPUQN-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559380708 491468828 /nfs/dbraw/zinc/46/88/28/491468828.db2.gz WYTKFSSMWFFCDG-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559380708 491468831 /nfs/dbraw/zinc/46/88/31/491468831.db2.gz WYTKFSSMWFFCDG-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000559387053 491469301 /nfs/dbraw/zinc/46/93/01/491469301.db2.gz DKOKVLSKYHYLQF-INIZCTEOSA-N 2 2 354.495 0.060 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000566845213 491470195 /nfs/dbraw/zinc/47/01/95/491470195.db2.gz AIOPMFZDVYALAN-QGZVFWFLSA-N 3 2 366.554 0.140 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574036513 491470550 /nfs/dbraw/zinc/47/05/50/491470550.db2.gz TUTURADAHDXNRA-RDJZCZTQSA-N 2 2 369.473 0.944 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000566859696 491471798 /nfs/dbraw/zinc/47/17/98/491471798.db2.gz CCNOVFMSXWCDCM-JKSUJKDBSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)no1 ZINC000566916157 491475050 /nfs/dbraw/zinc/47/50/50/491475050.db2.gz VLNLDARAXOBIAW-QGZVFWFLSA-N 2 2 358.442 1.320 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)no1 ZINC000566916157 491475052 /nfs/dbraw/zinc/47/50/52/491475052.db2.gz VLNLDARAXOBIAW-QGZVFWFLSA-N 2 2 358.442 1.320 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574201104 491481126 /nfs/dbraw/zinc/48/11/26/491481126.db2.gz KRIPZGIDIUCLAF-HNNXBMFYSA-N 2 2 354.520 0.285 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000574201104 491481127 /nfs/dbraw/zinc/48/11/27/491481127.db2.gz KRIPZGIDIUCLAF-HNNXBMFYSA-N 2 2 354.520 0.285 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000559572827 491482207 /nfs/dbraw/zinc/48/22/07/491482207.db2.gz BELIRWPLJGDLHO-UHFFFAOYSA-N 2 2 359.474 0.921 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000567046974 491482258 /nfs/dbraw/zinc/48/22/58/491482258.db2.gz BMEDATMWIOABLC-HUUCEWRRSA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000567046974 491482261 /nfs/dbraw/zinc/48/22/61/491482261.db2.gz BMEDATMWIOABLC-HUUCEWRRSA-N 2 2 363.462 0.422 20 0 FCADLP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600452 491484477 /nfs/dbraw/zinc/48/44/77/491484477.db2.gz HKJGFTCRRGWVCW-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600452 491484479 /nfs/dbraw/zinc/48/44/79/491484479.db2.gz HKJGFTCRRGWVCW-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000567163813 491489580 /nfs/dbraw/zinc/48/95/80/491489580.db2.gz CDMIMMCIMHJYEU-MAUKXSAKSA-N 2 2 374.485 0.567 20 0 FCADLP O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000574404123 491493833 /nfs/dbraw/zinc/49/38/33/491493833.db2.gz LEOGUOMMRBUZLU-ZWKOTPCHSA-N 2 2 358.486 0.999 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574428894 491495809 /nfs/dbraw/zinc/49/58/09/491495809.db2.gz FAHAMIGUOWCKPF-UHFFFAOYSA-N 2 2 368.503 0.087 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000559756585 491496062 /nfs/dbraw/zinc/49/60/62/491496062.db2.gz WWXJFCKSEQWEDM-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000559756585 491496063 /nfs/dbraw/zinc/49/60/63/491496063.db2.gz WWXJFCKSEQWEDM-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)C[C@H]2[NH3+])cn1 ZINC000574443475 491497142 /nfs/dbraw/zinc/49/71/42/491497142.db2.gz LGDSEXQHQISBEU-JKSUJKDBSA-N 2 2 353.430 0.747 20 0 FCADLP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000559770703 491498505 /nfs/dbraw/zinc/49/85/05/491498505.db2.gz YLKXINWYZOXRLF-OAHLLOKOSA-N 2 2 356.430 0.652 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCSC1 ZINC000567305343 491498517 /nfs/dbraw/zinc/49/85/17/491498517.db2.gz FZGXQMHFXPYCTK-AWEZNQCLSA-N 2 2 356.536 0.340 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCSC1 ZINC000567305343 491498519 /nfs/dbraw/zinc/49/85/19/491498519.db2.gz FZGXQMHFXPYCTK-AWEZNQCLSA-N 2 2 356.536 0.340 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000559780643 491498671 /nfs/dbraw/zinc/49/86/71/491498671.db2.gz PXNBKCHPCFDEHD-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000559780643 491498674 /nfs/dbraw/zinc/49/86/74/491498674.db2.gz PXNBKCHPCFDEHD-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000567345611 491500544 /nfs/dbraw/zinc/50/05/44/491500544.db2.gz NNTKOKUGAFJAEM-INIZCTEOSA-N 2 2 361.446 0.974 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000574505650 491501378 /nfs/dbraw/zinc/50/13/78/491501378.db2.gz PMFKYBDVAYIJDR-ZBFHGGJFSA-N 2 2 359.474 0.431 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000574505650 491501380 /nfs/dbraw/zinc/50/13/80/491501380.db2.gz PMFKYBDVAYIJDR-ZBFHGGJFSA-N 2 2 359.474 0.431 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCc3cccnc3CC2)CN1CC[NH+]1CCOCC1 ZINC000567629086 491518995 /nfs/dbraw/zinc/51/89/95/491518995.db2.gz UBBRGTGRYLUBKQ-ROUUACIJSA-N 2 2 358.486 0.852 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000574906641 491526698 /nfs/dbraw/zinc/52/66/98/491526698.db2.gz YYAPLHFKKANGNN-FZMZJTMJSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000574906641 491526699 /nfs/dbraw/zinc/52/66/99/491526699.db2.gz YYAPLHFKKANGNN-FZMZJTMJSA-N 2 2 367.400 0.354 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000574915380 491527649 /nfs/dbraw/zinc/52/76/49/491527649.db2.gz UJWIIEGAMOCOFU-HNNXBMFYSA-N 2 2 359.470 0.990 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000574915380 491527651 /nfs/dbraw/zinc/52/76/51/491527651.db2.gz UJWIIEGAMOCOFU-HNNXBMFYSA-N 2 2 359.470 0.990 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567776076 491529168 /nfs/dbraw/zinc/52/91/68/491529168.db2.gz PMEKWNNZNYOUNS-QGZVFWFLSA-N 2 2 370.457 0.969 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000567817523 491531523 /nfs/dbraw/zinc/53/15/23/491531523.db2.gz YUCMQQIWZQTYBJ-INIZCTEOSA-N 2 2 355.442 0.610 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC(=O)N1C ZINC000560357487 491533721 /nfs/dbraw/zinc/53/37/21/491533721.db2.gz OUSBYFBRCKNOCI-DSJMHWKBSA-N 2 2 368.503 0.885 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC(=O)N1C ZINC000560357488 491534002 /nfs/dbraw/zinc/53/40/02/491534002.db2.gz OUSBYFBRCKNOCI-KNCOVGOOSA-N 2 2 368.503 0.885 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567889258 491538505 /nfs/dbraw/zinc/53/85/05/491538505.db2.gz GENFPTIFRKKESR-HIFRSBDPSA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567889258 491538506 /nfs/dbraw/zinc/53/85/06/491538506.db2.gz GENFPTIFRKKESR-HIFRSBDPSA-N 2 2 363.458 0.870 20 0 FCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000560419472 491539333 /nfs/dbraw/zinc/53/93/33/491539333.db2.gz YVPKXIFVBLDEHX-INIZCTEOSA-N 2 2 364.494 1.163 20 0 FCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000560419472 491539336 /nfs/dbraw/zinc/53/93/36/491539336.db2.gz YVPKXIFVBLDEHX-INIZCTEOSA-N 2 2 364.494 1.163 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000575108466 491539746 /nfs/dbraw/zinc/53/97/46/491539746.db2.gz LRIVWPOTVZVATF-SJORKVTESA-N 2 2 365.522 0.747 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000567926865 491541537 /nfs/dbraw/zinc/54/15/37/491541537.db2.gz SMUQQYSWPGRKQH-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000567926865 491541539 /nfs/dbraw/zinc/54/15/39/491541539.db2.gz SMUQQYSWPGRKQH-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192765 491544461 /nfs/dbraw/zinc/54/44/61/491544461.db2.gz MLTFUEXTCRHIKM-CVEARBPZSA-N 2 2 359.474 0.849 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000575331079 491549384 /nfs/dbraw/zinc/54/93/84/491549384.db2.gz KHGQJKKTAHCVOK-RDJZCZTQSA-N 2 2 360.458 0.335 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000575331079 491549385 /nfs/dbraw/zinc/54/93/85/491549385.db2.gz KHGQJKKTAHCVOK-RDJZCZTQSA-N 2 2 360.458 0.335 20 0 FCADLP O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000575401733 491552237 /nfs/dbraw/zinc/55/22/37/491552237.db2.gz KTONJSJDDMHDRY-UHFFFAOYSA-N 2 2 372.922 0.552 20 0 FCADLP COc1ccc(CN2C[C@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000568086172 491552324 /nfs/dbraw/zinc/55/23/24/491552324.db2.gz HSFBGMWBAPYJPB-HZPDHXFCSA-N 2 2 360.458 0.145 20 0 FCADLP COc1ccc(CN2C[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000568086172 491552325 /nfs/dbraw/zinc/55/23/25/491552325.db2.gz HSFBGMWBAPYJPB-HZPDHXFCSA-N 2 2 360.458 0.145 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C(C)C)cc1 ZINC000575430848 491554447 /nfs/dbraw/zinc/55/44/47/491554447.db2.gz LSVOTZUGBYQAKR-VDZJLULYSA-N 2 2 374.485 0.752 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C(C)C)cc1 ZINC000575430848 491554448 /nfs/dbraw/zinc/55/44/48/491554448.db2.gz LSVOTZUGBYQAKR-VDZJLULYSA-N 2 2 374.485 0.752 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000560764062 491555691 /nfs/dbraw/zinc/55/56/91/491555691.db2.gz LXOHQBLPXSTHQT-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000568174878 491557202 /nfs/dbraw/zinc/55/72/02/491557202.db2.gz JRHFTNYONXTAQQ-CKEIUWERSA-N 2 2 362.478 0.769 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000568174878 491557204 /nfs/dbraw/zinc/55/72/04/491557204.db2.gz JRHFTNYONXTAQQ-CKEIUWERSA-N 2 2 362.478 0.769 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575768456 491559807 /nfs/dbraw/zinc/55/98/07/491559807.db2.gz ZJNWAORCEZJNBL-MRXNPFEDSA-N 2 2 357.414 0.854 20 0 FCADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000575783866 491560618 /nfs/dbraw/zinc/56/06/18/491560618.db2.gz LFUDMMQZQOPFBL-PMPSAXMXSA-N 2 2 363.458 0.723 20 0 FCADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000575783866 491560619 /nfs/dbraw/zinc/56/06/19/491560619.db2.gz LFUDMMQZQOPFBL-PMPSAXMXSA-N 2 2 363.458 0.723 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000560865102 491560866 /nfs/dbraw/zinc/56/08/66/491560866.db2.gz AZQNOAFEXPSTFN-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000575790374 491561222 /nfs/dbraw/zinc/56/12/22/491561222.db2.gz IXEVTJIBLWFJKK-AWEZNQCLSA-N 2 2 351.451 0.616 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000575790374 491561225 /nfs/dbraw/zinc/56/12/25/491561225.db2.gz IXEVTJIBLWFJKK-AWEZNQCLSA-N 2 2 351.451 0.616 20 0 FCADLP CS[C@H](C)CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560874112 491561463 /nfs/dbraw/zinc/56/14/63/491561463.db2.gz HTZMQTWMVYMAEI-CYBMUJFWSA-N 2 2 356.536 0.529 20 0 FCADLP COc1ccccc1N1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000568231826 491561764 /nfs/dbraw/zinc/56/17/64/491561764.db2.gz PHZNXTZYAWGAGR-UONOGXRCSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccccc1N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000568231826 491561766 /nfs/dbraw/zinc/56/17/66/491561766.db2.gz PHZNXTZYAWGAGR-UONOGXRCSA-N 2 2 361.446 0.085 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000568267345 491564586 /nfs/dbraw/zinc/56/45/86/491564586.db2.gz FGCQWKBVUDCJJY-WMZOPIPTSA-N 2 2 374.485 0.384 20 0 FCADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000568267345 491564588 /nfs/dbraw/zinc/56/45/88/491564588.db2.gz FGCQWKBVUDCJJY-WMZOPIPTSA-N 2 2 374.485 0.384 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000568268557 491565506 /nfs/dbraw/zinc/56/55/06/491565506.db2.gz ZHKZYCLFOKGDRJ-SZMVWBNQSA-N 2 2 374.485 0.514 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000568268557 491565508 /nfs/dbraw/zinc/56/55/08/491565508.db2.gz ZHKZYCLFOKGDRJ-SZMVWBNQSA-N 2 2 374.485 0.514 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561010758 491569859 /nfs/dbraw/zinc/56/98/59/491569859.db2.gz JBMFDYLDZLUPEU-ULQDDVLXSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561010758 491569862 /nfs/dbraw/zinc/56/98/62/491569862.db2.gz JBMFDYLDZLUPEU-ULQDDVLXSA-N 2 2 368.522 0.593 20 0 FCADLP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000575932432 491571098 /nfs/dbraw/zinc/57/10/98/491571098.db2.gz KJWPEQPCKDMVMG-KRWDZBQOSA-N 2 2 369.481 0.891 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000575932432 491571099 /nfs/dbraw/zinc/57/10/99/491571099.db2.gz KJWPEQPCKDMVMG-KRWDZBQOSA-N 2 2 369.481 0.891 20 0 FCADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000568396645 491574409 /nfs/dbraw/zinc/57/44/09/491574409.db2.gz QXQPFIHBLNTOCS-UHFFFAOYSA-N 3 2 362.474 0.243 20 0 FCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000568510810 491581887 /nfs/dbraw/zinc/58/18/87/491581887.db2.gz AZLXFJNWAJPCOP-CHWSQXEVSA-N 2 2 365.243 0.840 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000668422156 493351333 /nfs/dbraw/zinc/35/13/33/493351333.db2.gz RQQDZWSNULVNSQ-HNNXBMFYSA-N 2 2 357.458 0.982 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)C[C@@H](C)O1 ZINC000576029835 491576810 /nfs/dbraw/zinc/57/68/10/491576810.db2.gz COFUBRIMKOTSSI-IIDMSEBBSA-N 2 2 367.465 0.544 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)C[C@@H](C)O1 ZINC000576029836 491577058 /nfs/dbraw/zinc/57/70/58/491577058.db2.gz COFUBRIMKOTSSI-RKVPGOIHSA-N 2 2 367.465 0.544 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000568449524 491578364 /nfs/dbraw/zinc/57/83/64/491578364.db2.gz JDEWAQYGDNGXMM-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000568449524 491578366 /nfs/dbraw/zinc/57/83/66/491578366.db2.gz JDEWAQYGDNGXMM-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000568449524 491578367 /nfs/dbraw/zinc/57/83/67/491578367.db2.gz JDEWAQYGDNGXMM-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000568449524 491578369 /nfs/dbraw/zinc/57/83/69/491578369.db2.gz JDEWAQYGDNGXMM-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)N1C(=O)Cc1c[nH+]cn1C ZINC000568471442 491579208 /nfs/dbraw/zinc/57/92/08/491579208.db2.gz KZAFIYLQDXOTFP-OKILXGFUSA-N 2 2 358.446 0.387 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000561180977 491580854 /nfs/dbraw/zinc/58/08/54/491580854.db2.gz MDYIBILIOFMYHE-LJQANCHMSA-N 2 2 363.506 0.326 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000561180782 491580977 /nfs/dbraw/zinc/58/09/77/491580977.db2.gz DCDYBORZZXLPCG-MRXNPFEDSA-N 2 2 365.522 0.701 20 0 FCADLP C[NH2+][C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000576163217 491587791 /nfs/dbraw/zinc/58/77/91/491587791.db2.gz FHFTZZWWHHFWNZ-GOSISDBHSA-N 2 2 356.474 0.619 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000577081553 491587846 /nfs/dbraw/zinc/58/78/46/491587846.db2.gz NVAVOPFZZXQGCN-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000568608150 491591654 /nfs/dbraw/zinc/59/16/54/491591654.db2.gz OIHCEXXTGWIMGY-ZDUSSCGKSA-N 2 2 368.865 0.938 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000568608150 491591656 /nfs/dbraw/zinc/59/16/56/491591656.db2.gz OIHCEXXTGWIMGY-ZDUSSCGKSA-N 2 2 368.865 0.938 20 0 FCADLP C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445787 491591789 /nfs/dbraw/zinc/59/17/89/491591789.db2.gz SPGPSNAMSNJRHO-HRCADAONSA-N 2 2 358.490 0.922 20 0 FCADLP C[C@H]1C[C@H]1[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445787 491591792 /nfs/dbraw/zinc/59/17/92/491591792.db2.gz SPGPSNAMSNJRHO-HRCADAONSA-N 2 2 358.490 0.922 20 0 FCADLP CC(C)Nc1nc(NCC[C@H](C)[NH+]2CCCCC2)nc(NCCO)[nH+]1 ZINC000561276835 491593575 /nfs/dbraw/zinc/59/35/75/491593575.db2.gz JRHSFIDXYHGNLW-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000561276835 491593578 /nfs/dbraw/zinc/59/35/78/491593578.db2.gz JRHSFIDXYHGNLW-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NCC[C@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000561276835 491593581 /nfs/dbraw/zinc/59/35/81/491593581.db2.gz JRHSFIDXYHGNLW-AWEZNQCLSA-N 2 2 351.499 0.038 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000584465150 491594027 /nfs/dbraw/zinc/59/40/27/491594027.db2.gz VRWWFNSHHAEYNM-HNNXBMFYSA-N 2 2 356.488 0.920 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584468758 491594368 /nfs/dbraw/zinc/59/43/68/491594368.db2.gz NOMSBUQMDCKCNB-WCQYABFASA-N 2 2 374.894 0.108 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584468758 491594371 /nfs/dbraw/zinc/59/43/71/491594371.db2.gz NOMSBUQMDCKCNB-WCQYABFASA-N 2 2 374.894 0.108 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000576233536 491595962 /nfs/dbraw/zinc/59/59/62/491595962.db2.gz CFWDIMRWZLBMLW-IRXDYDNUSA-N 2 2 366.506 0.333 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)c2cc1C ZINC000577159257 491596297 /nfs/dbraw/zinc/59/62/97/491596297.db2.gz PEDIOFNJHAIAOZ-ZVZYQTTQSA-N 2 2 358.442 0.603 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)c2cc1C ZINC000577159257 491596300 /nfs/dbraw/zinc/59/63/00/491596300.db2.gz PEDIOFNJHAIAOZ-ZVZYQTTQSA-N 2 2 358.442 0.603 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(Cl)cc1 ZINC000577193000 491600633 /nfs/dbraw/zinc/60/06/33/491600633.db2.gz WPYUXJMEDRYGSE-CQDKDKBSSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(Cl)cc1 ZINC000577193000 491600636 /nfs/dbraw/zinc/60/06/36/491600636.db2.gz WPYUXJMEDRYGSE-CQDKDKBSSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280333 491601198 /nfs/dbraw/zinc/60/11/98/491601198.db2.gz KDRGUUMKBFZCTM-CVEARBPZSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280333 491601203 /nfs/dbraw/zinc/60/12/03/491601203.db2.gz KDRGUUMKBFZCTM-CVEARBPZSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000561367831 491601968 /nfs/dbraw/zinc/60/19/68/491601968.db2.gz UAYBGWDCILKVHP-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CC1=O ZINC000561378036 491604221 /nfs/dbraw/zinc/60/42/21/491604221.db2.gz IDUUKQQPVUDNPV-HNNXBMFYSA-N 2 2 359.430 0.243 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CC1=O ZINC000561378036 491604225 /nfs/dbraw/zinc/60/42/25/491604225.db2.gz IDUUKQQPVUDNPV-HNNXBMFYSA-N 2 2 359.430 0.243 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474561 493354730 /nfs/dbraw/zinc/35/47/30/493354730.db2.gz LQUFBONVISZPSW-INIZCTEOSA-N 2 2 363.524 0.129 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474561 493354733 /nfs/dbraw/zinc/35/47/33/493354733.db2.gz LQUFBONVISZPSW-INIZCTEOSA-N 2 2 363.524 0.129 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473123 493354753 /nfs/dbraw/zinc/35/47/53/493354753.db2.gz OYSGTHKUUGGBIB-ZACQAIPSSA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473123 493354756 /nfs/dbraw/zinc/35/47/56/493354756.db2.gz OYSGTHKUUGGBIB-ZACQAIPSSA-N 2 2 366.506 0.286 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC000577290163 491610287 /nfs/dbraw/zinc/61/02/87/491610287.db2.gz DWWJRBSPICNKGC-SZOQZIPDSA-N 2 2 362.478 0.864 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC000577290163 491610289 /nfs/dbraw/zinc/61/02/89/491610289.db2.gz DWWJRBSPICNKGC-SZOQZIPDSA-N 2 2 362.478 0.864 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000577287529 491610415 /nfs/dbraw/zinc/61/04/15/491610415.db2.gz PRCDKYDAHWBXGC-UHFFFAOYSA-N 2 2 366.506 0.300 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000568816671 491611754 /nfs/dbraw/zinc/61/17/54/491611754.db2.gz NJZNTAXXBZXZIP-UHFFFAOYSA-N 2 2 369.469 0.801 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000568852768 491613824 /nfs/dbraw/zinc/61/38/24/491613824.db2.gz RDKHAWHZKNYUKP-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000568852768 491613827 /nfs/dbraw/zinc/61/38/27/491613827.db2.gz RDKHAWHZKNYUKP-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@H](C)[NH+]1CCOCC1 ZINC000568915080 491619876 /nfs/dbraw/zinc/61/98/76/491619876.db2.gz MDGUVFBKVAUVAR-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000561638714 491622702 /nfs/dbraw/zinc/62/27/02/491622702.db2.gz ZMKFKAOEHFVNCA-MRXNPFEDSA-N 2 2 373.432 0.701 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000561638714 491622705 /nfs/dbraw/zinc/62/27/05/491622705.db2.gz ZMKFKAOEHFVNCA-MRXNPFEDSA-N 2 2 373.432 0.701 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCOCC1 ZINC000577477980 491624785 /nfs/dbraw/zinc/62/47/85/491624785.db2.gz CBXVQDSOPSYGAO-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000576696437 491636743 /nfs/dbraw/zinc/63/67/43/491636743.db2.gz OEZPJFQMXHFCFQ-QGZVFWFLSA-N 2 2 363.458 0.280 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000576750593 491641544 /nfs/dbraw/zinc/64/15/44/491641544.db2.gz GQCXKSIUCZEBEM-ZDUSSCGKSA-N 2 2 351.476 0.936 20 0 FCADLP CO[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000569217394 491642809 /nfs/dbraw/zinc/64/28/09/491642809.db2.gz FVKBJIBYBJMRHK-HNNXBMFYSA-N 2 2 365.865 0.996 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000569474104 491664717 /nfs/dbraw/zinc/66/47/17/491664717.db2.gz UGFKMGYQFUWVIP-ZBFHGGJFSA-N 2 2 369.487 0.347 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000578006003 491667410 /nfs/dbraw/zinc/66/74/10/491667410.db2.gz LREJDMJNRTULNQ-LSDHHAIUSA-N 2 2 359.465 0.653 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@H]1CCCCC(=O)N1)[C@H]1CC12CC[NH2+]CC2 ZINC000578237968 491672904 /nfs/dbraw/zinc/67/29/04/491672904.db2.gz DZUVQZCVGPPVAH-CABCVRRESA-N 2 2 359.474 0.950 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000578504940 491678577 /nfs/dbraw/zinc/67/85/77/491678577.db2.gz AUGOQMRQSXAOBK-ZJPYXAASSA-N 2 2 371.485 0.428 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000578504940 491678578 /nfs/dbraw/zinc/67/85/78/491678578.db2.gz AUGOQMRQSXAOBK-ZJPYXAASSA-N 2 2 371.485 0.428 20 0 FCADLP CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000578609161 491680680 /nfs/dbraw/zinc/68/06/80/491680680.db2.gz JXENZFIJWCAVHY-OAHLLOKOSA-N 2 2 368.503 0.691 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000578650204 491681765 /nfs/dbraw/zinc/68/17/65/491681765.db2.gz HJRZWTYKGFFSTE-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000578730427 491683099 /nfs/dbraw/zinc/68/30/99/491683099.db2.gz BAABRKDDOGVMMP-GOEBONIOSA-N 2 2 365.522 0.759 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000578792733 491684455 /nfs/dbraw/zinc/68/44/55/491684455.db2.gz LKQMDUCLFQYEOX-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000578792733 491684456 /nfs/dbraw/zinc/68/44/56/491684456.db2.gz LKQMDUCLFQYEOX-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000578792733 491684457 /nfs/dbraw/zinc/68/44/57/491684457.db2.gz LKQMDUCLFQYEOX-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000578792733 491684458 /nfs/dbraw/zinc/68/44/58/491684458.db2.gz LKQMDUCLFQYEOX-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000579103111 491690928 /nfs/dbraw/zinc/69/09/28/491690928.db2.gz DIEHHIAMBZGLMN-LXTVHRRPSA-N 2 2 353.429 0.930 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000579103111 491690929 /nfs/dbraw/zinc/69/09/29/491690929.db2.gz DIEHHIAMBZGLMN-LXTVHRRPSA-N 2 2 353.429 0.930 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H](C)O1 ZINC000579345817 491696006 /nfs/dbraw/zinc/69/60/06/491696006.db2.gz PCQPUZTVZYHYET-BRSBDYLESA-N 2 2 368.522 0.726 20 0 FCADLP CCC(CC)[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000579385846 491697060 /nfs/dbraw/zinc/69/70/60/491697060.db2.gz SWHPVFIOBCEIEY-HKUYNNGSSA-N 2 2 353.507 0.696 20 0 FCADLP COc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC000579456349 491698123 /nfs/dbraw/zinc/69/81/23/491698123.db2.gz MWOCYWPWBCKQRK-HLLBOEOZSA-N 2 2 368.474 0.626 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000579571349 491700538 /nfs/dbraw/zinc/70/05/38/491700538.db2.gz CWTCZZHWPHJNGC-CALCHBBNSA-N 2 2 363.506 0.467 20 0 FCADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579615163 491701835 /nfs/dbraw/zinc/70/18/35/491701835.db2.gz ZPFKIMDFKWLDRS-ROUUACIJSA-N 2 2 358.486 0.977 20 0 FCADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579615163 491701836 /nfs/dbraw/zinc/70/18/36/491701836.db2.gz ZPFKIMDFKWLDRS-ROUUACIJSA-N 2 2 358.486 0.977 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000579694628 491702946 /nfs/dbraw/zinc/70/29/46/491702946.db2.gz DWJPICLVMJKOHB-UHFFFAOYSA-N 2 2 361.471 0.714 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)cc[nH+]1 ZINC000584589342 491708834 /nfs/dbraw/zinc/70/88/34/491708834.db2.gz MDVXFXNFVFMEII-INIZCTEOSA-N 2 2 355.446 0.868 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000580105961 491717783 /nfs/dbraw/zinc/71/77/83/491717783.db2.gz JMDYZWZVXLPCOA-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000580105961 491717784 /nfs/dbraw/zinc/71/77/84/491717784.db2.gz JMDYZWZVXLPCOA-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2nnnc2-c2ccsc2)CC1 ZINC000580195298 491721081 /nfs/dbraw/zinc/72/10/81/491721081.db2.gz SXCFVIJDBCHSRM-UHFFFAOYSA-N 2 2 363.491 0.544 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000580357453 491728059 /nfs/dbraw/zinc/72/80/59/491728059.db2.gz GWFCKFWUMHCCFG-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP COc1c(N)[nH+]cnc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000580581970 491737426 /nfs/dbraw/zinc/73/74/26/491737426.db2.gz OZGJQPYQFCGELU-UHFFFAOYSA-N 2 2 358.450 0.872 20 0 FCADLP COc1c(N)nc[nH+]c1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000580581970 491737427 /nfs/dbraw/zinc/73/74/27/491737427.db2.gz OZGJQPYQFCGELU-UHFFFAOYSA-N 2 2 358.450 0.872 20 0 FCADLP CSCC[C@@H](C)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236845 491742839 /nfs/dbraw/zinc/74/28/39/491742839.db2.gz OMCGQARIGLYXDK-CABCVRRESA-N 2 2 370.563 0.871 20 0 FCADLP CSCC[C@@H](C)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236845 491742840 /nfs/dbraw/zinc/74/28/40/491742840.db2.gz OMCGQARIGLYXDK-CABCVRRESA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236893 491743011 /nfs/dbraw/zinc/74/30/11/491743011.db2.gz WPLGUILNATUSIL-KGLIPLIRSA-N 2 2 356.536 0.529 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236893 491743013 /nfs/dbraw/zinc/74/30/13/491743013.db2.gz WPLGUILNATUSIL-KGLIPLIRSA-N 2 2 356.536 0.529 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000580769418 491744922 /nfs/dbraw/zinc/74/49/22/491744922.db2.gz PFFMMRPQTZOJKE-ROUUACIJSA-N 2 2 351.491 0.451 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000580769418 491744924 /nfs/dbraw/zinc/74/49/24/491744924.db2.gz PFFMMRPQTZOJKE-ROUUACIJSA-N 2 2 351.491 0.451 20 0 FCADLP CS[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588775223 491748931 /nfs/dbraw/zinc/74/89/31/491748931.db2.gz RJSMUMFMQWKKLL-DZGCQCFKSA-N 2 2 356.536 0.481 20 0 FCADLP CS[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588775223 491748932 /nfs/dbraw/zinc/74/89/32/491748932.db2.gz RJSMUMFMQWKKLL-DZGCQCFKSA-N 2 2 356.536 0.481 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588807644 491749851 /nfs/dbraw/zinc/74/98/51/491749851.db2.gz RWDULXPIRSBCFA-GDBMZVCRSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588807644 491749852 /nfs/dbraw/zinc/74/98/52/491749852.db2.gz RWDULXPIRSBCFA-GDBMZVCRSA-N 2 2 370.563 0.871 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])N2CCOCC2)o1 ZINC000581001058 491754880 /nfs/dbraw/zinc/75/48/80/491754880.db2.gz YVQUNVBYJLQSAS-CVEARBPZSA-N 2 2 365.478 0.246 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])N2CCOCC2)o1 ZINC000581001058 491754882 /nfs/dbraw/zinc/75/48/82/491754882.db2.gz YVQUNVBYJLQSAS-CVEARBPZSA-N 2 2 365.478 0.246 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000581120839 491759900 /nfs/dbraw/zinc/75/99/00/491759900.db2.gz HAVYSJQKTDBXAB-NVXWUHKLSA-N 2 2 365.522 0.618 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC000581201107 491763835 /nfs/dbraw/zinc/76/38/35/491763835.db2.gz VMRGLRSKMICTKX-CQSZACIVSA-N 2 2 360.462 0.229 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000581240994 491765358 /nfs/dbraw/zinc/76/53/58/491765358.db2.gz NVQVXSGIICGFON-IAGOWNOFSA-N 2 2 364.490 0.172 20 0 FCADLP CCN1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1=O ZINC000581253588 491765904 /nfs/dbraw/zinc/76/59/04/491765904.db2.gz LBKLWDURSYIGMP-SFHVURJKSA-N 2 2 369.469 0.882 20 0 FCADLP CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000581329624 491769188 /nfs/dbraw/zinc/76/91/88/491769188.db2.gz YUZJEDYJXZJGRO-CVEARBPZSA-N 2 2 354.495 0.107 20 0 FCADLP CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000581329624 491769190 /nfs/dbraw/zinc/76/91/90/491769190.db2.gz YUZJEDYJXZJGRO-CVEARBPZSA-N 2 2 354.495 0.107 20 0 FCADLP CN(C)[C@@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1c[nH+]cn1C ZINC000581472580 491774243 /nfs/dbraw/zinc/77/42/43/491774243.db2.gz AZSICILKEIRMLD-GOSISDBHSA-N 2 2 363.506 0.984 20 0 FCADLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000590819041 491787506 /nfs/dbraw/zinc/78/75/06/491787506.db2.gz VBGGPFKIEGXPJU-HOCLYGCPSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000590819041 491787507 /nfs/dbraw/zinc/78/75/07/491787507.db2.gz VBGGPFKIEGXPJU-HOCLYGCPSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000590819040 491787512 /nfs/dbraw/zinc/78/75/12/491787512.db2.gz VBGGPFKIEGXPJU-GOEBONIOSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000590819040 491787513 /nfs/dbraw/zinc/78/75/13/491787513.db2.gz VBGGPFKIEGXPJU-GOEBONIOSA-N 2 2 359.536 0.730 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590982605 491791060 /nfs/dbraw/zinc/79/10/60/491791060.db2.gz DFURUKBZQNELND-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590982605 491791062 /nfs/dbraw/zinc/79/10/62/491791062.db2.gz DFURUKBZQNELND-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC000591553613 491807993 /nfs/dbraw/zinc/80/79/93/491807993.db2.gz KBPODMCFGXMQDB-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC000591553613 491807994 /nfs/dbraw/zinc/80/79/94/491807994.db2.gz KBPODMCFGXMQDB-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)CCC2 ZINC000582383254 491810322 /nfs/dbraw/zinc/81/03/22/491810322.db2.gz SSVVLVTUFUGWAF-CVEARBPZSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)CCC2 ZINC000582383254 491810324 /nfs/dbraw/zinc/81/03/24/491810324.db2.gz SSVVLVTUFUGWAF-CVEARBPZSA-N 2 2 361.490 0.984 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591601274 491810410 /nfs/dbraw/zinc/81/04/10/491810410.db2.gz WGWBEWPFXDUFRB-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591601274 491810411 /nfs/dbraw/zinc/81/04/11/491810411.db2.gz WGWBEWPFXDUFRB-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591601276 491810449 /nfs/dbraw/zinc/81/04/49/491810449.db2.gz WGWBEWPFXDUFRB-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591601276 491810450 /nfs/dbraw/zinc/81/04/50/491810450.db2.gz WGWBEWPFXDUFRB-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP NC(=O)c1cccnc1N1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000582609554 491819832 /nfs/dbraw/zinc/81/98/32/491819832.db2.gz MSBNPQIIICWTTJ-ROUUACIJSA-N 2 2 369.469 0.233 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000582774784 491825960 /nfs/dbraw/zinc/82/59/60/491825960.db2.gz VAQLSPQLGXDTDW-IRXDYDNUSA-N 2 2 363.506 0.324 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000582798862 491827509 /nfs/dbraw/zinc/82/75/09/491827509.db2.gz BWNYOEUBDVULKF-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)OCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592087030 491831232 /nfs/dbraw/zinc/83/12/32/491831232.db2.gz XKUICMGYWJXFLF-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000582966915 491834415 /nfs/dbraw/zinc/83/44/15/491834415.db2.gz VCELBYPNYVTYAL-KRWDZBQOSA-N 2 2 360.458 0.295 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000582979266 491835057 /nfs/dbraw/zinc/83/50/57/491835057.db2.gz KZOAWSPDWDJXKT-CALCHBBNSA-N 2 2 368.522 0.261 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000582979266 491835058 /nfs/dbraw/zinc/83/50/58/491835058.db2.gz KZOAWSPDWDJXKT-CALCHBBNSA-N 2 2 368.522 0.261 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000583013947 491836039 /nfs/dbraw/zinc/83/60/39/491836039.db2.gz ABIOWAARGJLGMU-JKSUJKDBSA-N 2 2 360.462 0.577 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000583013947 491836040 /nfs/dbraw/zinc/83/60/40/491836040.db2.gz ABIOWAARGJLGMU-JKSUJKDBSA-N 2 2 360.462 0.577 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N(CCO)C3CCC3)CC2)CC1 ZINC000583219780 491840482 /nfs/dbraw/zinc/84/04/82/491840482.db2.gz BYUGCUXSEIQOTI-UHFFFAOYSA-N 2 2 366.506 0.035 20 0 FCADLP Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC000583302205 491841917 /nfs/dbraw/zinc/84/19/17/491841917.db2.gz IELBZONLEDMOES-INIZCTEOSA-N 2 2 359.474 0.957 20 0 FCADLP Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000583302205 491841918 /nfs/dbraw/zinc/84/19/18/491841918.db2.gz IELBZONLEDMOES-INIZCTEOSA-N 2 2 359.474 0.957 20 0 FCADLP O=C1CCc2cc(OC[C@@H](O)C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)ccc2N1 ZINC000583389010 491843927 /nfs/dbraw/zinc/84/39/27/491843927.db2.gz UHSJLQNJKSXCDL-HNNXBMFYSA-N 2 2 371.441 0.856 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000583493958 491846020 /nfs/dbraw/zinc/84/60/20/491846020.db2.gz UYBFASJKIFSMBN-MOPGFXCFSA-N 2 2 370.497 0.707 20 0 FCADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000583631676 491849110 /nfs/dbraw/zinc/84/91/10/491849110.db2.gz XRCDSMYDYKRRFQ-UHFFFAOYSA-N 2 2 365.858 0.761 20 0 FCADLP COc1ccc(COCCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000583920856 491854676 /nfs/dbraw/zinc/85/46/76/491854676.db2.gz PAXCIZWLDRCQMT-MRXNPFEDSA-N 2 2 350.463 0.886 20 0 FCADLP COc1ccc(COCCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000583920856 491854677 /nfs/dbraw/zinc/85/46/77/491854677.db2.gz PAXCIZWLDRCQMT-MRXNPFEDSA-N 2 2 350.463 0.886 20 0 FCADLP CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000583983523 491855953 /nfs/dbraw/zinc/85/59/53/491855953.db2.gz CTLRVXSOYMQXDR-PBHICJAKSA-N 2 2 361.490 0.999 20 0 FCADLP CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000583983523 491855954 /nfs/dbraw/zinc/85/59/54/491855954.db2.gz CTLRVXSOYMQXDR-PBHICJAKSA-N 2 2 361.490 0.999 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875483 491869372 /nfs/dbraw/zinc/86/93/72/491869372.db2.gz ILQYKASCHNKQGE-KZNAEPCWSA-N 2 2 356.470 0.984 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875483 491869373 /nfs/dbraw/zinc/86/93/73/491869373.db2.gz ILQYKASCHNKQGE-KZNAEPCWSA-N 2 2 356.470 0.984 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(CCN3CC[NH+](C)CC3)nn2)CC1 ZINC000600966677 491890526 /nfs/dbraw/zinc/89/05/26/491890526.db2.gz KWVPZWUCCSECPU-UHFFFAOYSA-N 2 2 364.494 0.301 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000601387113 491911167 /nfs/dbraw/zinc/91/11/67/491911167.db2.gz NRPBOTOURNQCRM-HNNXBMFYSA-N 2 2 361.508 0.371 20 0 FCADLP COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000601387113 491911168 /nfs/dbraw/zinc/91/11/68/491911168.db2.gz NRPBOTOURNQCRM-HNNXBMFYSA-N 2 2 361.508 0.371 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454351 491919903 /nfs/dbraw/zinc/91/99/03/491919903.db2.gz SMVFPRRIQJAXJT-SJORKVTESA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454351 491919906 /nfs/dbraw/zinc/91/99/06/491919906.db2.gz SMVFPRRIQJAXJT-SJORKVTESA-N 2 2 350.507 0.918 20 0 FCADLP COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337022 491921322 /nfs/dbraw/zinc/92/13/22/491921322.db2.gz ITGDGLBDOMLDMB-HZPDHXFCSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337022 491921323 /nfs/dbraw/zinc/92/13/23/491921323.db2.gz ITGDGLBDOMLDMB-HZPDHXFCSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337014 491921506 /nfs/dbraw/zinc/92/15/06/491921506.db2.gz ITGDGLBDOMLDMB-HOTGVXAUSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337014 491921508 /nfs/dbraw/zinc/92/15/08/491921508.db2.gz ITGDGLBDOMLDMB-HOTGVXAUSA-N 2 2 355.479 0.582 20 0 FCADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613552375 491985893 /nfs/dbraw/zinc/98/58/93/491985893.db2.gz FVJISAVOPDWXMO-CHWSQXEVSA-N 2 2 350.850 0.888 20 0 FCADLP C[N@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000602959086 492007734 /nfs/dbraw/zinc/00/77/34/492007734.db2.gz QWCKFXAONRCHHJ-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP C[N@@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000602959086 492007735 /nfs/dbraw/zinc/00/77/35/492007735.db2.gz QWCKFXAONRCHHJ-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212817 492022527 /nfs/dbraw/zinc/02/25/27/492022527.db2.gz BMDJTLGZIWUKLR-IRXDYDNUSA-N 2 2 367.490 0.772 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212817 492022530 /nfs/dbraw/zinc/02/25/30/492022530.db2.gz BMDJTLGZIWUKLR-IRXDYDNUSA-N 2 2 367.490 0.772 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212813 492022828 /nfs/dbraw/zinc/02/28/28/492022828.db2.gz BMDJTLGZIWUKLR-DLBZAZTESA-N 2 2 367.490 0.772 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597212813 492022830 /nfs/dbraw/zinc/02/28/30/492022830.db2.gz BMDJTLGZIWUKLR-DLBZAZTESA-N 2 2 367.490 0.772 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614440728 492030301 /nfs/dbraw/zinc/03/03/01/492030301.db2.gz PMBFLOHUIVARHI-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614440728 492030302 /nfs/dbraw/zinc/03/03/02/492030302.db2.gz PMBFLOHUIVARHI-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910073 492047116 /nfs/dbraw/zinc/04/71/16/492047116.db2.gz IGFGXUNJCDALMT-JHJVBQTASA-N 2 2 360.414 0.646 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](O)COCC3CC3)C2)CC1 ZINC000604207409 492054703 /nfs/dbraw/zinc/05/47/03/492054703.db2.gz DAABMTWRWRTCGC-NVXWUHKLSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](O)COCC3CC3)C2)CC1 ZINC000604207409 492054704 /nfs/dbraw/zinc/05/47/04/492054704.db2.gz DAABMTWRWRTCGC-NVXWUHKLSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000604209656 492055133 /nfs/dbraw/zinc/05/51/33/492055133.db2.gz WSMCUDLEIWCPSW-INIZCTEOSA-N 2 2 363.506 0.419 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000604209656 492055134 /nfs/dbraw/zinc/05/51/34/492055134.db2.gz WSMCUDLEIWCPSW-INIZCTEOSA-N 2 2 363.506 0.419 20 0 FCADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)[nH+]c12 ZINC000604376156 492059037 /nfs/dbraw/zinc/05/90/37/492059037.db2.gz GYFRKBRIFUYCRN-KRWDZBQOSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)[nH+]c12 ZINC000604376156 492059038 /nfs/dbraw/zinc/05/90/38/492059038.db2.gz GYFRKBRIFUYCRN-KRWDZBQOSA-N 2 2 371.485 0.708 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000598312831 492093809 /nfs/dbraw/zinc/09/38/09/492093809.db2.gz PENNKSXCRMTIGZ-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000598312831 492093810 /nfs/dbraw/zinc/09/38/10/492093810.db2.gz PENNKSXCRMTIGZ-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](O)C3CCOCC3)CC2)CC1 ZINC000605882972 492104732 /nfs/dbraw/zinc/10/47/32/492104732.db2.gz PXEQCYNAGNSHIV-SFHVURJKSA-N 2 2 368.522 0.632 20 0 FCADLP COC(=O)CC1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000599031166 492131001 /nfs/dbraw/zinc/13/10/01/492131001.db2.gz LXDFKKXQNBWNHX-OFLPRAFFSA-N 2 2 367.490 0.631 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)CC1 ZINC000606844163 492131157 /nfs/dbraw/zinc/13/11/57/492131157.db2.gz KLFRYOAIIFOBHJ-HNNXBMFYSA-N 2 2 358.490 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)CC1 ZINC000606844163 492131160 /nfs/dbraw/zinc/13/11/60/492131160.db2.gz KLFRYOAIIFOBHJ-HNNXBMFYSA-N 2 2 358.490 0.975 20 0 FCADLP COC(=O)c1cnn(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000599225214 492145320 /nfs/dbraw/zinc/14/53/20/492145320.db2.gz GJMBQKANSBYVLG-UHFFFAOYSA-N 2 2 363.462 0.345 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732518 492186184 /nfs/dbraw/zinc/18/61/84/492186184.db2.gz GOQOJXMQDSCSDN-SQGPQFPESA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732518 492186185 /nfs/dbraw/zinc/18/61/85/492186185.db2.gz GOQOJXMQDSCSDN-SQGPQFPESA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732518 492186188 /nfs/dbraw/zinc/18/61/88/492186188.db2.gz GOQOJXMQDSCSDN-SQGPQFPESA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732518 492186189 /nfs/dbraw/zinc/18/61/89/492186189.db2.gz GOQOJXMQDSCSDN-SQGPQFPESA-N 2 2 361.486 0.849 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000608693199 492188204 /nfs/dbraw/zinc/18/82/04/492188204.db2.gz QXZGSGIOMXOCFL-INIZCTEOSA-N 2 2 367.538 0.912 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000617766910 492190706 /nfs/dbraw/zinc/19/07/06/492190706.db2.gz YSKNVVZDQJUTDC-UHFFFAOYSA-N 2 2 370.519 0.600 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000617766910 492190708 /nfs/dbraw/zinc/19/07/08/492190708.db2.gz YSKNVVZDQJUTDC-UHFFFAOYSA-N 2 2 370.519 0.600 20 0 FCADLP CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617768860 492191484 /nfs/dbraw/zinc/19/14/84/492191484.db2.gz XOACABLVWXBITN-UHFFFAOYSA-N 2 2 370.519 0.598 20 0 FCADLP CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617768860 492191487 /nfs/dbraw/zinc/19/14/87/492191487.db2.gz XOACABLVWXBITN-UHFFFAOYSA-N 2 2 370.519 0.598 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488186 492274075 /nfs/dbraw/zinc/27/40/75/492274075.db2.gz GFDLPLGOSMANGF-WBVHZDCISA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488186 492274077 /nfs/dbraw/zinc/27/40/77/492274077.db2.gz GFDLPLGOSMANGF-WBVHZDCISA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647510254 492301728 /nfs/dbraw/zinc/30/17/28/492301728.db2.gz PLYHLANZBQNHTE-ZWKOTPCHSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641761478 492302916 /nfs/dbraw/zinc/30/29/16/492302916.db2.gz SQYVAJAWOKXKTK-DLBZAZTESA-N 2 2 364.494 0.367 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641761478 492302919 /nfs/dbraw/zinc/30/29/19/492302919.db2.gz SQYVAJAWOKXKTK-DLBZAZTESA-N 2 2 364.494 0.367 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627477696 492314940 /nfs/dbraw/zinc/31/49/40/492314940.db2.gz ACSPMFJZYMJZQR-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568021 492316116 /nfs/dbraw/zinc/31/61/16/492316116.db2.gz FSPRNNYZBKCXJS-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568021 492316118 /nfs/dbraw/zinc/31/61/18/492316118.db2.gz FSPRNNYZBKCXJS-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000627484027 492317990 /nfs/dbraw/zinc/31/79/90/492317990.db2.gz POGCXMGDZQCCNW-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000627484027 492317991 /nfs/dbraw/zinc/31/79/91/492317991.db2.gz POGCXMGDZQCCNW-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCc4nnnn4CC3)c2)CC1 ZINC000634193719 492325100 /nfs/dbraw/zinc/32/51/00/492325100.db2.gz GCEYZHOVTUPVOP-CYBMUJFWSA-N 2 2 356.434 0.411 20 0 FCADLP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000634197234 492325659 /nfs/dbraw/zinc/32/56/59/492325659.db2.gz WLTYVWSGSMMNPB-UHFFFAOYSA-N 2 2 351.520 0.871 20 0 FCADLP Cn1nnnc1SCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195591 492325910 /nfs/dbraw/zinc/32/59/10/492325910.db2.gz XUTIIWJQBSGQFJ-UHFFFAOYSA-N 2 2 362.463 0.478 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CNC(=O)c3cccnc3)c2)CC1 ZINC000634196202 492326110 /nfs/dbraw/zinc/32/61/10/492326110.db2.gz OVSSZDFYDMTKKJ-UHFFFAOYSA-N 2 2 354.414 0.597 20 0 FCADLP COCCN1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1=O ZINC000634197328 492326821 /nfs/dbraw/zinc/32/68/21/492326821.db2.gz FBGWWVLVSRJKMS-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706523 492348127 /nfs/dbraw/zinc/34/81/27/492348127.db2.gz KVFZHZQNDHVTSQ-ROUUACIJSA-N 2 2 359.470 0.800 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000642337522 492352732 /nfs/dbraw/zinc/35/27/32/492352732.db2.gz XGOPOTMJXHZWKP-FXUDXRNXSA-N 2 2 352.479 0.132 20 0 FCADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700951 492360057 /nfs/dbraw/zinc/36/00/57/492360057.db2.gz HWXDFPRNLAEPOU-KRWDZBQOSA-N 2 2 355.504 0.541 20 0 FCADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700951 492360061 /nfs/dbraw/zinc/36/00/61/492360061.db2.gz HWXDFPRNLAEPOU-KRWDZBQOSA-N 2 2 355.504 0.541 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[NH2+]1 ZINC000642519121 492360660 /nfs/dbraw/zinc/36/06/60/492360660.db2.gz DDXLLQOKBVVJII-MRXNPFEDSA-N 2 2 359.474 0.754 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642519130 492360986 /nfs/dbraw/zinc/36/09/86/492360986.db2.gz FZJHDYZBCYHGQD-SMDDNHRTSA-N 2 2 361.833 0.814 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)[nH+]c12 ZINC000642638962 492368155 /nfs/dbraw/zinc/36/81/55/492368155.db2.gz ZBELNJOQFOXEDC-OAHLLOKOSA-N 2 2 357.458 0.889 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncnn2CC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000647905673 492381192 /nfs/dbraw/zinc/38/11/92/492381192.db2.gz MNFJABIOBKNFAI-QWHCGFSZSA-N 2 2 356.421 0.623 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncnn2CC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000647905673 492381193 /nfs/dbraw/zinc/38/11/93/492381193.db2.gz MNFJABIOBKNFAI-QWHCGFSZSA-N 2 2 356.421 0.623 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788787 492391625 /nfs/dbraw/zinc/39/16/25/492391625.db2.gz CQRWVVXZPTWTOU-APHBMKBZSA-N 2 2 360.458 0.519 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788787 492391628 /nfs/dbraw/zinc/39/16/28/492391628.db2.gz CQRWVVXZPTWTOU-APHBMKBZSA-N 2 2 360.458 0.519 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905679 492401085 /nfs/dbraw/zinc/40/10/85/492401085.db2.gz RMXXMPXZGWZILM-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905679 492401086 /nfs/dbraw/zinc/40/10/86/492401086.db2.gz RMXXMPXZGWZILM-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642910425 492402578 /nfs/dbraw/zinc/40/25/78/492402578.db2.gz FZKHIGGWJUFGFL-LBPRGKRZSA-N 2 2 372.391 0.813 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648120265 492403096 /nfs/dbraw/zinc/40/30/96/492403096.db2.gz VPOFZPDBBXGOPB-CQSZACIVSA-N 2 2 353.488 0.894 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000642914467 492403274 /nfs/dbraw/zinc/40/32/74/492403274.db2.gz QOYULKFFRBSLNA-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000642979321 492409043 /nfs/dbraw/zinc/40/90/43/492409043.db2.gz BAEQEVUAVSAHDU-UHFFFAOYSA-N 2 2 374.485 0.645 20 0 FCADLP CC[NH+](CC)CCN(C(=O)c1ccc(C[NH3+])o1)[C@H]1CCS(=O)(=O)C1 ZINC000648149319 492409095 /nfs/dbraw/zinc/40/90/95/492409095.db2.gz NPAWAAIOURXYBH-ZDUSSCGKSA-N 2 2 357.476 0.709 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642974864 492409156 /nfs/dbraw/zinc/40/91/56/492409156.db2.gz CPFHLPBQTSOXHZ-MRXNPFEDSA-N 3 2 367.538 0.247 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642974864 492409161 /nfs/dbraw/zinc/40/91/61/492409161.db2.gz CPFHLPBQTSOXHZ-MRXNPFEDSA-N 3 2 367.538 0.247 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](C)[NH+](C)C)c2)CC1 ZINC000635176323 492410454 /nfs/dbraw/zinc/41/04/54/492410454.db2.gz XOMWNDFTBUJJTA-CQSZACIVSA-N 2 2 368.503 0.901 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635204543 492415424 /nfs/dbraw/zinc/41/54/24/492415424.db2.gz XVNHWAWGWCTHLZ-HUUCEWRRSA-N 2 2 355.446 0.632 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635204543 492415428 /nfs/dbraw/zinc/41/54/28/492415428.db2.gz XVNHWAWGWCTHLZ-HUUCEWRRSA-N 2 2 355.446 0.632 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)[nH+]c12 ZINC000621840427 492422989 /nfs/dbraw/zinc/42/29/89/492422989.db2.gz ISRNSXSWCBPGQJ-AUUYWEPGSA-N 2 2 355.442 0.641 20 0 FCADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000627982587 492433950 /nfs/dbraw/zinc/43/39/50/492433950.db2.gz RFDYMNGMQHSMRS-CQSZACIVSA-N 2 2 368.865 0.523 20 0 FCADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000627982587 492433953 /nfs/dbraw/zinc/43/39/53/492433953.db2.gz RFDYMNGMQHSMRS-CQSZACIVSA-N 2 2 368.865 0.523 20 0 FCADLP CCN1C(=O)[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN2C1=O ZINC000643250836 492434167 /nfs/dbraw/zinc/43/41/67/492434167.db2.gz PHXQHIIQRXUCBF-GOSISDBHSA-N 2 2 372.469 0.987 20 0 FCADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN2C1=O ZINC000643250836 492434173 /nfs/dbraw/zinc/43/41/73/492434173.db2.gz PHXQHIIQRXUCBF-GOSISDBHSA-N 2 2 372.469 0.987 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655444511 492442976 /nfs/dbraw/zinc/44/29/76/492442976.db2.gz GBNADTXUDAYNGM-MBOZVWFJSA-N 2 2 362.518 0.921 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379212 492443773 /nfs/dbraw/zinc/44/37/73/492443773.db2.gz NFWXASFFIHUINF-GDBMZVCRSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379212 492443777 /nfs/dbraw/zinc/44/37/77/492443777.db2.gz NFWXASFFIHUINF-GDBMZVCRSA-N 2 2 354.495 0.336 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000622029158 492444395 /nfs/dbraw/zinc/44/43/95/492444395.db2.gz AYSMNVQPGSYQAB-FXAWDEMLSA-N 2 2 356.470 0.671 20 0 FCADLP CCC(C)(C)OCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643397583 492447691 /nfs/dbraw/zinc/44/76/91/492447691.db2.gz CFOMTODXVIGKFR-OAHLLOKOSA-N 2 2 368.522 0.593 20 0 FCADLP CCC(C)(C)OCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643397583 492447695 /nfs/dbraw/zinc/44/76/95/492447695.db2.gz CFOMTODXVIGKFR-OAHLLOKOSA-N 2 2 368.522 0.593 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000643397841 492448166 /nfs/dbraw/zinc/44/81/66/492448166.db2.gz UNHXTTKZXHMVST-CQSZACIVSA-N 2 2 368.522 0.184 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000643397841 492448170 /nfs/dbraw/zinc/44/81/70/492448170.db2.gz UNHXTTKZXHMVST-CQSZACIVSA-N 2 2 368.522 0.184 20 0 FCADLP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000643454639 492467540 /nfs/dbraw/zinc/46/75/40/492467540.db2.gz YYUPPZAITRZGBO-DLBZAZTESA-N 2 2 353.488 0.592 20 0 FCADLP CN(C(=O)[C@H]1CCCCN(C)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552967 492469714 /nfs/dbraw/zinc/46/97/14/492469714.db2.gz WTJDJVXIVNHGIY-SJORKVTESA-N 2 2 350.507 0.872 20 0 FCADLP CN(C(=O)[C@H]1CCCCN(C)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552967 492469716 /nfs/dbraw/zinc/46/97/16/492469716.db2.gz WTJDJVXIVNHGIY-SJORKVTESA-N 2 2 350.507 0.872 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)c1 ZINC000643476926 492473491 /nfs/dbraw/zinc/47/34/91/492473491.db2.gz FIHREBLJDZZWDZ-OALUTQOASA-N 2 2 370.497 0.707 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643477093 492474271 /nfs/dbraw/zinc/47/42/71/492474271.db2.gz HIFSRYQRGJSCTN-HKUYNNGSSA-N 2 2 370.497 0.850 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC000643478496 492474351 /nfs/dbraw/zinc/47/43/51/492474351.db2.gz ZKXLBASMPMGWQI-PXNSSMCTSA-N 2 2 356.470 0.714 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC000643478496 492474354 /nfs/dbraw/zinc/47/43/54/492474354.db2.gz ZKXLBASMPMGWQI-PXNSSMCTSA-N 2 2 356.470 0.714 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000643476990 492474618 /nfs/dbraw/zinc/47/46/18/492474618.db2.gz MBGUEOYVLSJDFW-RBUKOAKNSA-N 2 2 370.497 0.707 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479292 492475320 /nfs/dbraw/zinc/47/53/20/492475320.db2.gz NINMOXWFFXFPJW-JKSUJKDBSA-N 2 2 362.499 0.460 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1 ZINC000643478745 492475472 /nfs/dbraw/zinc/47/54/72/492475472.db2.gz ANTDFQSSZCNGLZ-KRWDZBQOSA-N 2 2 374.485 0.468 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000643481062 492476797 /nfs/dbraw/zinc/47/67/97/492476797.db2.gz KXXJIJSEBTUXRI-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000649001505 492482794 /nfs/dbraw/zinc/48/27/94/492482794.db2.gz NUYLVSZHBNJZDD-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000649001505 492482800 /nfs/dbraw/zinc/48/28/00/492482800.db2.gz NUYLVSZHBNJZDD-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643508398 492484531 /nfs/dbraw/zinc/48/45/31/492484531.db2.gz AEVWNGNBRAKUDN-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000643516439 492487624 /nfs/dbraw/zinc/48/76/24/492487624.db2.gz CPZZQFWKRMILGP-UZLBHIALSA-N 2 2 371.485 0.499 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655937884 492491622 /nfs/dbraw/zinc/49/16/22/492491622.db2.gz GWDGGPQCCUNIQV-CYBMUJFWSA-N 2 2 373.379 0.814 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nn2)C1 ZINC000655937884 492491624 /nfs/dbraw/zinc/49/16/24/492491624.db2.gz GWDGGPQCCUNIQV-CYBMUJFWSA-N 2 2 373.379 0.814 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)cc[nH+]1 ZINC000643532339 492492381 /nfs/dbraw/zinc/49/23/81/492492381.db2.gz DPEDELDFBNKHBV-JYJNAYRXSA-N 2 2 372.473 0.019 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643541204 492494642 /nfs/dbraw/zinc/49/46/42/492494642.db2.gz ZVRAAQIGJKMRCA-ILXRZTDVSA-N 2 2 363.462 0.531 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643541594 492495552 /nfs/dbraw/zinc/49/55/52/492495552.db2.gz XGNPNNFZOOBBOG-HZPDHXFCSA-N 2 2 357.458 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562995 492498446 /nfs/dbraw/zinc/49/84/46/492498446.db2.gz HNODVSLTGUKJQW-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562995 492498450 /nfs/dbraw/zinc/49/84/50/492498450.db2.gz HNODVSLTGUKJQW-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563172 492498652 /nfs/dbraw/zinc/49/86/52/492498652.db2.gz KRURXQGQESLZBI-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563172 492498657 /nfs/dbraw/zinc/49/86/57/492498657.db2.gz KRURXQGQESLZBI-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000649330317 492536485 /nfs/dbraw/zinc/53/64/85/492536485.db2.gz PWVVIHYKCJEONG-PIIMJCKOSA-N 2 2 372.469 0.035 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000649335697 492537829 /nfs/dbraw/zinc/53/78/29/492537829.db2.gz STLQJQVTZXIJPL-IEBWSBKVSA-N 2 2 358.486 0.396 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000649335697 492537834 /nfs/dbraw/zinc/53/78/34/492537834.db2.gz STLQJQVTZXIJPL-IEBWSBKVSA-N 2 2 358.486 0.396 20 0 FCADLP COCC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717574 492541121 /nfs/dbraw/zinc/54/11/21/492541121.db2.gz VXZQRBSHJHLMCV-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP COCC[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717574 492541125 /nfs/dbraw/zinc/54/11/25/492541125.db2.gz VXZQRBSHJHLMCV-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081976 492542047 /nfs/dbraw/zinc/54/20/47/492542047.db2.gz BDFJBUQNIBZLSA-NQNKBUKLSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081976 492542050 /nfs/dbraw/zinc/54/20/50/492542050.db2.gz BDFJBUQNIBZLSA-NQNKBUKLSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081976 492542052 /nfs/dbraw/zinc/54/20/52/492542052.db2.gz BDFJBUQNIBZLSA-NQNKBUKLSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081976 492542056 /nfs/dbraw/zinc/54/20/56/492542056.db2.gz BDFJBUQNIBZLSA-NQNKBUKLSA-N 2 2 366.506 0.153 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623308295 492542904 /nfs/dbraw/zinc/54/29/04/492542904.db2.gz YWKMJNHNMVYITH-INIZCTEOSA-N 2 2 354.458 0.921 20 0 FCADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000649356143 492546868 /nfs/dbraw/zinc/54/68/68/492546868.db2.gz NEPNVRAONQXBTL-ZWKOTPCHSA-N 2 2 371.485 0.469 20 0 FCADLP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000649356143 492546872 /nfs/dbraw/zinc/54/68/72/492546872.db2.gz NEPNVRAONQXBTL-ZWKOTPCHSA-N 2 2 371.485 0.469 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000649366313 492548497 /nfs/dbraw/zinc/54/84/97/492548497.db2.gz UVFRKRGXCDVZPW-ROUUACIJSA-N 3 2 357.458 0.296 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420431 492553552 /nfs/dbraw/zinc/55/35/52/492553552.db2.gz NDZSYZYPZCYNHK-HUUCEWRRSA-N 2 2 358.450 0.221 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420431 492553557 /nfs/dbraw/zinc/55/35/57/492553557.db2.gz NDZSYZYPZCYNHK-HUUCEWRRSA-N 2 2 358.450 0.221 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](Cc3ccncc3)CC2)cnn1C ZINC000643773591 492554727 /nfs/dbraw/zinc/55/47/27/492554727.db2.gz GQFGPRHYDTVIIF-MOPGFXCFSA-N 2 2 368.485 0.771 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC)[C@@H]1c1[nH+]ccn1C ZINC000623542874 492565833 /nfs/dbraw/zinc/56/58/33/492565833.db2.gz VJYBYVXENAPRCK-FVQBIDKESA-N 2 2 363.462 0.309 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC)[C@@H]1c1[nH+]ccn1C ZINC000623542874 492565838 /nfs/dbraw/zinc/56/58/38/492565838.db2.gz VJYBYVXENAPRCK-FVQBIDKESA-N 2 2 363.462 0.309 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656284390 492568991 /nfs/dbraw/zinc/56/89/91/492568991.db2.gz QTQKABHUFHCHGM-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656284390 492568995 /nfs/dbraw/zinc/56/89/95/492568995.db2.gz QTQKABHUFHCHGM-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000656307014 492580770 /nfs/dbraw/zinc/58/07/70/492580770.db2.gz LYMRPGVHUHBMMT-CAOSSQGBSA-N 2 2 368.522 0.447 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000656307014 492580774 /nfs/dbraw/zinc/58/07/74/492580774.db2.gz LYMRPGVHUHBMMT-CAOSSQGBSA-N 2 2 368.522 0.447 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636316509 492581512 /nfs/dbraw/zinc/58/15/12/492581512.db2.gz XILBSABYBKSCIN-UHFFFAOYSA-N 2 2 373.461 0.069 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000656312646 492587290 /nfs/dbraw/zinc/58/72/90/492587290.db2.gz WZPRBKKVPHBDBW-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464981 492592961 /nfs/dbraw/zinc/59/29/61/492592961.db2.gz OSZKFOFXAALREA-ROUUACIJSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464981 492592964 /nfs/dbraw/zinc/59/29/64/492592964.db2.gz OSZKFOFXAALREA-ROUUACIJSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636464981 492592966 /nfs/dbraw/zinc/59/29/66/492592966.db2.gz OSZKFOFXAALREA-ROUUACIJSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636464981 492592969 /nfs/dbraw/zinc/59/29/69/492592969.db2.gz OSZKFOFXAALREA-ROUUACIJSA-N 2 2 362.474 0.253 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000636500944 492602860 /nfs/dbraw/zinc/60/28/60/492602860.db2.gz PDTRZYRRZDKTHL-OAHLLOKOSA-N 2 2 365.478 0.621 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000636516611 492607248 /nfs/dbraw/zinc/60/72/48/492607248.db2.gz IBJKUSZXOXQONH-LJQANCHMSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000636516611 492607251 /nfs/dbraw/zinc/60/72/51/492607251.db2.gz IBJKUSZXOXQONH-LJQANCHMSA-N 2 2 366.506 0.528 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360617 492613639 /nfs/dbraw/zinc/61/36/39/492613639.db2.gz UJJCIZFVQRJOLU-IAGOWNOFSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360617 492613643 /nfs/dbraw/zinc/61/36/43/492613643.db2.gz UJJCIZFVQRJOLU-IAGOWNOFSA-N 2 2 371.485 0.863 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000656367372 492615262 /nfs/dbraw/zinc/61/52/62/492615262.db2.gz WKVWYPQLLZMZPN-QGZVFWFLSA-N 2 2 361.446 0.559 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)c[nH+]2)CCO1 ZINC000636540511 492615409 /nfs/dbraw/zinc/61/54/09/492615409.db2.gz VVJMODZFOVQLOE-GDBMZVCRSA-N 2 2 363.462 0.173 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)c[nH+]2)CCO1 ZINC000636540511 492615410 /nfs/dbraw/zinc/61/54/10/492615410.db2.gz VVJMODZFOVQLOE-GDBMZVCRSA-N 2 2 363.462 0.173 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578569 492627767 /nfs/dbraw/zinc/62/77/67/492627767.db2.gz LREJAXFRUYBDII-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578569 492627769 /nfs/dbraw/zinc/62/77/69/492627769.db2.gz LREJAXFRUYBDII-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578569 492627772 /nfs/dbraw/zinc/62/77/72/492627772.db2.gz LREJAXFRUYBDII-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578569 492627774 /nfs/dbraw/zinc/62/77/74/492627774.db2.gz LREJAXFRUYBDII-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000656694737 492642378 /nfs/dbraw/zinc/64/23/78/492642378.db2.gz QUKGJFCDVFZNFM-MSOLQXFVSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000656694737 492642380 /nfs/dbraw/zinc/64/23/80/492642380.db2.gz QUKGJFCDVFZNFM-MSOLQXFVSA-N 2 2 354.539 0.706 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650558820 492649895 /nfs/dbraw/zinc/64/98/95/492649895.db2.gz CCQZNGFWOGCWTG-QGZVFWFLSA-N 2 2 366.506 0.482 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650558820 492649901 /nfs/dbraw/zinc/64/99/01/492649901.db2.gz CCQZNGFWOGCWTG-QGZVFWFLSA-N 2 2 366.506 0.482 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650584667 492652728 /nfs/dbraw/zinc/65/27/28/492652728.db2.gz DBTJYDKEADOQHV-LJQANCHMSA-N 2 2 374.485 0.479 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650584667 492652733 /nfs/dbraw/zinc/65/27/33/492652733.db2.gz DBTJYDKEADOQHV-LJQANCHMSA-N 2 2 374.485 0.479 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000650671506 492659797 /nfs/dbraw/zinc/65/97/97/492659797.db2.gz IKZCVBLLDXFKMF-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000650671506 492659800 /nfs/dbraw/zinc/65/98/00/492659800.db2.gz IKZCVBLLDXFKMF-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000650688267 492661835 /nfs/dbraw/zinc/66/18/35/492661835.db2.gz CNKFGUQLWRFPML-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000650688267 492661839 /nfs/dbraw/zinc/66/18/39/492661839.db2.gz CNKFGUQLWRFPML-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP CCC[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707295 492667863 /nfs/dbraw/zinc/66/78/63/492667863.db2.gz KZLVERIVGZPNKT-DOTOQJQBSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707295 492667865 /nfs/dbraw/zinc/66/78/65/492667865.db2.gz KZLVERIVGZPNKT-DOTOQJQBSA-N 2 2 368.522 0.593 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629784595 492671328 /nfs/dbraw/zinc/67/13/28/492671328.db2.gz QQMMPUJYBRSFAW-NWDGAFQWSA-N 2 2 350.385 0.136 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC2)c1 ZINC000629786699 492671879 /nfs/dbraw/zinc/67/18/79/492671879.db2.gz XRFCSUBCDYMJSG-UHFFFAOYSA-N 2 2 362.474 0.073 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000629796362 492675719 /nfs/dbraw/zinc/67/57/19/492675719.db2.gz IVVSVGHGOHFNCO-UHFFFAOYSA-N 2 2 373.457 0.324 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000650894582 492682129 /nfs/dbraw/zinc/68/21/29/492682129.db2.gz ATKJLTQGCAECOY-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000629811965 492684749 /nfs/dbraw/zinc/68/47/49/492684749.db2.gz LQAIXEXVWHPURP-MRXNPFEDSA-N 2 2 364.515 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC[N@@H+]1CCOC ZINC000629815858 492686354 /nfs/dbraw/zinc/68/63/54/492686354.db2.gz RPLMDKYKXMWOTR-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC[N@H+]1CCOC ZINC000629815858 492686356 /nfs/dbraw/zinc/68/63/56/492686356.db2.gz RPLMDKYKXMWOTR-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCCn2cc[nH+]c2C)[C@H]1c1[nH+]ccn1C ZINC000624941678 492700590 /nfs/dbraw/zinc/70/05/90/492700590.db2.gz VSDGRSXNQUKQKZ-GJZGRUSLSA-N 2 2 360.418 0.030 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629959001 492708449 /nfs/dbraw/zinc/70/84/49/492708449.db2.gz ZGQCQFDUNUITQI-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629959001 492708451 /nfs/dbraw/zinc/70/84/51/492708451.db2.gz ZGQCQFDUNUITQI-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000644371860 492727791 /nfs/dbraw/zinc/72/77/91/492727791.db2.gz KNJUFIJQBLEFPQ-ZNMIVQPWSA-N 2 2 350.467 0.517 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921978 492729512 /nfs/dbraw/zinc/72/95/12/492729512.db2.gz OVZCRBSPWZESRO-SIXWZSSISA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921978 492729516 /nfs/dbraw/zinc/72/95/16/492729516.db2.gz OVZCRBSPWZESRO-SIXWZSSISA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636921978 492729519 /nfs/dbraw/zinc/72/95/19/492729519.db2.gz OVZCRBSPWZESRO-SIXWZSSISA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636921978 492729523 /nfs/dbraw/zinc/72/95/23/492729523.db2.gz OVZCRBSPWZESRO-SIXWZSSISA-N 2 2 366.506 0.384 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@H+](C)CCCO)CC3)cc2[nH+]1 ZINC000657644369 492771056 /nfs/dbraw/zinc/77/10/56/492771056.db2.gz HEFJBQBBDMEVSD-UHFFFAOYSA-N 2 2 373.457 0.886 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)cc2[nH+]1 ZINC000657644369 492771057 /nfs/dbraw/zinc/77/10/57/492771057.db2.gz HEFJBQBBDMEVSD-UHFFFAOYSA-N 2 2 373.457 0.886 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000644497572 492773351 /nfs/dbraw/zinc/77/33/51/492773351.db2.gz RHIDDBLKSUWGCT-CABCVRRESA-N 2 2 364.494 0.907 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000644497572 492773354 /nfs/dbraw/zinc/77/33/54/492773354.db2.gz RHIDDBLKSUWGCT-CABCVRRESA-N 2 2 364.494 0.907 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)cc2[nH+]1 ZINC000657666206 492774560 /nfs/dbraw/zinc/77/45/60/492774560.db2.gz NNGLBDYHQJIDHO-ZDUSSCGKSA-N 2 2 359.430 0.666 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2[nH+]1 ZINC000657712647 492781302 /nfs/dbraw/zinc/78/13/02/492781302.db2.gz XQZSRADPQROJHL-ZDUSSCGKSA-N 2 2 358.446 0.333 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)C[C@@H](C)O1 ZINC000644519808 492781820 /nfs/dbraw/zinc/78/18/20/492781820.db2.gz VLLXESNEFNOBEX-MDZRGWNJSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2[nH+]1 ZINC000657712645 492781861 /nfs/dbraw/zinc/78/18/61/492781861.db2.gz XQZSRADPQROJHL-CYBMUJFWSA-N 2 2 358.446 0.333 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccccc1F ZINC000644569659 492785451 /nfs/dbraw/zinc/78/54/51/492785451.db2.gz JMODVXNCCYRNEE-SJORKVTESA-N 2 2 367.465 0.562 20 0 FCADLP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657745116 492789174 /nfs/dbraw/zinc/78/91/74/492789174.db2.gz NOFKRYZNVZLOGF-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1CC ZINC000644596445 492790082 /nfs/dbraw/zinc/79/00/82/492790082.db2.gz ZERKRWLYDHFTRU-HZSPNIEDSA-N 2 2 352.479 0.867 20 0 FCADLP CCc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1CC ZINC000644596445 492790086 /nfs/dbraw/zinc/79/00/86/492790086.db2.gz ZERKRWLYDHFTRU-HZSPNIEDSA-N 2 2 352.479 0.867 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3CC(NS(C)(=O)=O)C3)c2cc1C ZINC000644641370 492795031 /nfs/dbraw/zinc/79/50/31/492795031.db2.gz MCSIFVXIYLPETO-YMAMQOFZSA-N 2 2 366.487 0.684 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631070578 492796268 /nfs/dbraw/zinc/79/62/68/492796268.db2.gz AHLMYCBCAVAVAJ-HNNXBMFYSA-N 2 2 356.488 0.920 20 0 FCADLP CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000631165149 492802420 /nfs/dbraw/zinc/80/24/20/492802420.db2.gz XCKXXRMSZOSCGC-QGZVFWFLSA-N 2 2 361.442 0.635 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](n3cncn3)C(F)(F)F)cn2)CC1 ZINC000631209847 492804624 /nfs/dbraw/zinc/80/46/24/492804624.db2.gz BXJKGWNCFFYSRH-ZDUSSCGKSA-N 2 2 370.383 0.713 20 0 FCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637286564 492805032 /nfs/dbraw/zinc/80/50/32/492805032.db2.gz WSOYYFTXPACSBA-GVDBMIGSSA-N 2 2 366.506 0.602 20 0 FCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637286564 492805039 /nfs/dbraw/zinc/80/50/39/492805039.db2.gz WSOYYFTXPACSBA-GVDBMIGSSA-N 2 2 366.506 0.602 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283530 492805541 /nfs/dbraw/zinc/80/55/41/492805541.db2.gz USQCJTORRYKCNM-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283530 492805545 /nfs/dbraw/zinc/80/55/45/492805545.db2.gz USQCJTORRYKCNM-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637283530 492805547 /nfs/dbraw/zinc/80/55/47/492805547.db2.gz USQCJTORRYKCNM-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637283530 492805550 /nfs/dbraw/zinc/80/55/50/492805550.db2.gz USQCJTORRYKCNM-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637371743 492812104 /nfs/dbraw/zinc/81/21/04/492812104.db2.gz GCEQSOQYQLADOP-MRXNPFEDSA-N 2 2 365.522 0.985 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637371743 492812107 /nfs/dbraw/zinc/81/21/07/492812107.db2.gz GCEQSOQYQLADOP-MRXNPFEDSA-N 2 2 365.522 0.985 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990000 492836344 /nfs/dbraw/zinc/83/63/44/492836344.db2.gz PRSGJESJHDZSGU-LWYYNNOASA-N 4 2 356.514 0.998 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644990000 492836346 /nfs/dbraw/zinc/83/63/46/492836346.db2.gz PRSGJESJHDZSGU-LWYYNNOASA-N 4 2 356.514 0.998 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000658179343 492846001 /nfs/dbraw/zinc/84/60/01/492846001.db2.gz UYQKEWCUHHHWCZ-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000631800428 492855749 /nfs/dbraw/zinc/85/57/49/492855749.db2.gz FKDQLNSYGZLDIR-QGZVFWFLSA-N 2 2 365.478 0.008 20 0 FCADLP O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000631853107 492863887 /nfs/dbraw/zinc/86/38/87/492863887.db2.gz OKFOHNFEDXGMKN-KDURUIRLSA-N 2 2 370.497 0.702 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](C[NH2+]C)C2)[C@H]1c1[nH+]ccn1C ZINC000637799212 492868048 /nfs/dbraw/zinc/86/80/48/492868048.db2.gz LCYDRSLRWNBTJF-BPUTZDHNSA-N 2 2 363.462 0.167 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000631897789 492872353 /nfs/dbraw/zinc/87/23/53/492872353.db2.gz PLAKEMUBQUZAOF-INIZCTEOSA-N 2 2 355.508 0.487 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631910718 492876628 /nfs/dbraw/zinc/87/66/28/492876628.db2.gz MAOJZGQJMBDJSF-KBPBESRZSA-N 2 2 362.540 0.392 20 0 FCADLP CC(C)[C@]1(CO)CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000645246040 492882224 /nfs/dbraw/zinc/88/22/24/492882224.db2.gz WPUMBSUMTXYLKM-LJQANCHMSA-N 2 2 355.523 0.944 20 0 FCADLP CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000645246040 492882226 /nfs/dbraw/zinc/88/22/26/492882226.db2.gz WPUMBSUMTXYLKM-LJQANCHMSA-N 2 2 355.523 0.944 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000645319141 492892585 /nfs/dbraw/zinc/89/25/85/492892585.db2.gz MPTXQCRCPSYSTN-DOTOQJQBSA-N 2 2 355.442 0.884 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638069321 492899815 /nfs/dbraw/zinc/89/98/15/492899815.db2.gz IWAJRHIVCNCHLA-MAUKXSAKSA-N 2 2 362.474 0.199 20 0 FCADLP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638123258 492911471 /nfs/dbraw/zinc/91/14/71/492911471.db2.gz NLQQRMQGXHKJOO-PBHICJAKSA-N 2 2 355.442 0.955 20 0 FCADLP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638123258 492911477 /nfs/dbraw/zinc/91/14/77/492911477.db2.gz NLQQRMQGXHKJOO-PBHICJAKSA-N 2 2 355.442 0.955 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638275409 492927045 /nfs/dbraw/zinc/92/70/45/492927045.db2.gz RPQJNSVQDZMHTK-KRWDZBQOSA-N 2 2 362.474 0.235 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638275409 492927049 /nfs/dbraw/zinc/92/70/49/492927049.db2.gz RPQJNSVQDZMHTK-KRWDZBQOSA-N 2 2 362.474 0.235 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000632148107 492939500 /nfs/dbraw/zinc/93/95/00/492939500.db2.gz KIRHYLXVRNTJMY-SFHVURJKSA-N 2 2 366.531 0.730 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000632148107 492939503 /nfs/dbraw/zinc/93/95/03/492939503.db2.gz KIRHYLXVRNTJMY-SFHVURJKSA-N 2 2 366.531 0.730 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652471942 492943159 /nfs/dbraw/zinc/94/31/59/492943159.db2.gz NUPXKGJYZSPLOL-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cn1 ZINC000638407470 492944781 /nfs/dbraw/zinc/94/47/81/492944781.db2.gz QEIBBYLQTSHLDE-SJORKVTESA-N 2 2 353.426 0.661 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cn1 ZINC000638407470 492944783 /nfs/dbraw/zinc/94/47/83/492944783.db2.gz QEIBBYLQTSHLDE-SJORKVTESA-N 2 2 353.426 0.661 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652528097 492961895 /nfs/dbraw/zinc/96/18/95/492961895.db2.gz LOPOXYRZSWHAEK-QGZVFWFLSA-N 2 2 369.469 0.764 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652528097 492961899 /nfs/dbraw/zinc/96/18/99/492961899.db2.gz LOPOXYRZSWHAEK-QGZVFWFLSA-N 2 2 369.469 0.764 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652528589 492962973 /nfs/dbraw/zinc/96/29/73/492962973.db2.gz XSESYVATXDWRAF-SFHVURJKSA-N 2 2 358.486 0.536 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652528589 492962977 /nfs/dbraw/zinc/96/29/77/492962977.db2.gz XSESYVATXDWRAF-SFHVURJKSA-N 2 2 358.486 0.536 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652627094 492972490 /nfs/dbraw/zinc/97/24/90/492972490.db2.gz RDSHNBQEKJZNCW-WOSRLPQWSA-N 2 2 362.430 0.774 20 0 FCADLP C[NH+](C)[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@@H]1O ZINC000632350147 492980142 /nfs/dbraw/zinc/98/01/42/492980142.db2.gz YSDSOHPMZFKLQV-GJZGRUSLSA-N 2 2 350.444 0.227 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@]12CCCO2 ZINC000638872865 492983425 /nfs/dbraw/zinc/98/34/25/492983425.db2.gz ZERBLRPSYPOERV-SFNKJDCFSA-N 2 2 367.490 0.236 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000652673023 492985226 /nfs/dbraw/zinc/98/52/26/492985226.db2.gz CHMJGJRDDUSRIN-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658640798 492988622 /nfs/dbraw/zinc/98/86/22/492988622.db2.gz VTGYHOAFWHYORM-KRWDZBQOSA-N 2 2 368.522 0.500 20 0 FCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658640799 492988759 /nfs/dbraw/zinc/98/87/59/492988759.db2.gz VTGYHOAFWHYORM-QGZVFWFLSA-N 2 2 368.522 0.500 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)C[C@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941110 492990794 /nfs/dbraw/zinc/99/07/94/492990794.db2.gz KDKALHVNPFKVIJ-RTBURBONSA-N 2 2 360.502 0.421 20 0 FCADLP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003475 492991536 /nfs/dbraw/zinc/99/15/36/492991536.db2.gz GVKKLMGGABDXMQ-QGZVFWFLSA-N 2 2 369.473 0.598 20 0 FCADLP [NH3+]C1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)Cc2ccccc2C1 ZINC000639004580 492991902 /nfs/dbraw/zinc/99/19/02/492991902.db2.gz OXNYMGCTVQDTMK-UHFFFAOYSA-N 2 2 351.454 0.660 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981747 492995912 /nfs/dbraw/zinc/99/59/12/492995912.db2.gz XDNCKPVJJROVEM-JYJNAYRXSA-N 2 2 374.489 0.396 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981747 492995916 /nfs/dbraw/zinc/99/59/16/492995916.db2.gz XDNCKPVJJROVEM-JYJNAYRXSA-N 2 2 374.489 0.396 20 0 FCADLP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981723 492996346 /nfs/dbraw/zinc/99/63/46/492996346.db2.gz UBGGSWGGQHHSHG-HOTGVXAUSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981723 492996349 /nfs/dbraw/zinc/99/63/49/492996349.db2.gz UBGGSWGGQHHSHG-HOTGVXAUSA-N 2 2 374.489 0.398 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)CCC[NH+]3CCCC3)CC2)C1=O ZINC000632492261 493010834 /nfs/dbraw/zinc/01/08/34/493010834.db2.gz ZSHCAUUUQLRTAH-MRXNPFEDSA-N 2 2 372.535 0.087 20 0 FCADLP Cc1ncc(CNC(=O)CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000639450760 493011246 /nfs/dbraw/zinc/01/12/46/493011246.db2.gz ZGWJQJKVEGALDK-UHFFFAOYSA-N 2 2 353.492 0.164 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000639531985 493017978 /nfs/dbraw/zinc/01/79/78/493017978.db2.gz AAHPEASEZRGCNR-ZDUSSCGKSA-N 2 2 369.491 0.129 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000639531985 493017982 /nfs/dbraw/zinc/01/79/82/493017982.db2.gz AAHPEASEZRGCNR-ZDUSSCGKSA-N 2 2 369.491 0.129 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545124 493019051 /nfs/dbraw/zinc/01/90/51/493019051.db2.gz REIIZAOUEMCRGR-DLBZAZTESA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545124 493019054 /nfs/dbraw/zinc/01/90/54/493019054.db2.gz REIIZAOUEMCRGR-DLBZAZTESA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545124 493019061 /nfs/dbraw/zinc/01/90/61/493019061.db2.gz REIIZAOUEMCRGR-DLBZAZTESA-N 2 2 353.488 0.247 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000626878747 493044967 /nfs/dbraw/zinc/04/49/67/493044967.db2.gz GVDPTCYGCVFNGB-AWEZNQCLSA-N 2 2 371.441 0.806 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1)[NH+]1CCOCC1 ZINC000639815366 493052315 /nfs/dbraw/zinc/05/23/15/493052315.db2.gz WNDBFTQFIAPSNX-MRXNPFEDSA-N 2 2 364.494 0.532 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)CC1)[NH+]1CCOCC1 ZINC000639815366 493052319 /nfs/dbraw/zinc/05/23/19/493052319.db2.gz WNDBFTQFIAPSNX-MRXNPFEDSA-N 2 2 364.494 0.532 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C1 ZINC000646528015 493056011 /nfs/dbraw/zinc/05/60/11/493056011.db2.gz VIOZYPVQOGJVPE-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C1 ZINC000646528015 493056014 /nfs/dbraw/zinc/05/60/14/493056014.db2.gz VIOZYPVQOGJVPE-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851259 493055980 /nfs/dbraw/zinc/05/59/80/493055980.db2.gz JYRZWPOBICTQEL-HKUYNNGSSA-N 2 2 363.458 0.275 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851259 493055983 /nfs/dbraw/zinc/05/59/83/493055983.db2.gz JYRZWPOBICTQEL-HKUYNNGSSA-N 2 2 363.458 0.275 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000626924584 493063538 /nfs/dbraw/zinc/06/35/38/493063538.db2.gz AOLGRSKZZLHCMC-ZWKOTPCHSA-N 2 2 362.474 0.656 20 0 FCADLP CN(CCOCC[NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626924626 493063857 /nfs/dbraw/zinc/06/38/57/493063857.db2.gz BHOPXAOGMFZCCI-QGZVFWFLSA-N 2 2 350.463 0.677 20 0 FCADLP COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653063414 493065269 /nfs/dbraw/zinc/06/52/69/493065269.db2.gz GROONGVPOSPMJS-ZDUSSCGKSA-N 2 2 370.475 0.353 20 0 FCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)NC ZINC000653070377 493066201 /nfs/dbraw/zinc/06/62/01/493066201.db2.gz SZFYHSNPLQGNLJ-CABCVRRESA-N 2 2 350.463 0.658 20 0 FCADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)NC ZINC000653070379 493066472 /nfs/dbraw/zinc/06/64/72/493066472.db2.gz SZFYHSNPLQGNLJ-HUUCEWRRSA-N 2 2 350.463 0.658 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000653078710 493067109 /nfs/dbraw/zinc/06/71/09/493067109.db2.gz IPFWQYRCFCLBSZ-IAGOWNOFSA-N 2 2 362.474 0.491 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000653079006 493067762 /nfs/dbraw/zinc/06/77/62/493067762.db2.gz PZHNSFQHLZLHQQ-INIZCTEOSA-N 2 2 353.511 0.888 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000653080920 493067957 /nfs/dbraw/zinc/06/79/57/493067957.db2.gz ZIMKBVSJEJICJC-MRXNPFEDSA-N 2 2 350.438 0.318 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000653080612 493067979 /nfs/dbraw/zinc/06/79/79/493067979.db2.gz MXCSEKMHMPEECK-NWDGAFQWSA-N 2 2 357.252 0.371 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000653083541 493068954 /nfs/dbraw/zinc/06/89/54/493068954.db2.gz AOUAXSLLLUAHAF-CYBMUJFWSA-N 2 2 371.279 0.574 20 0 FCADLP CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653100189 493069675 /nfs/dbraw/zinc/06/96/75/493069675.db2.gz JLCZRDJQRQHQIV-IUODEOHRSA-N 2 2 356.492 0.981 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000626946582 493069610 /nfs/dbraw/zinc/06/96/10/493069610.db2.gz TXOOOVWRMGIGNA-RDJZCZTQSA-N 2 2 356.536 0.834 20 0 FCADLP C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000653107590 493070736 /nfs/dbraw/zinc/07/07/36/493070736.db2.gz PRNOXFHTVLMZEN-BZPMIXESSA-N 2 2 355.508 0.970 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000653114817 493073202 /nfs/dbraw/zinc/07/32/02/493073202.db2.gz XTLYKLPJJBGZKM-QGZVFWFLSA-N 2 2 361.490 0.121 20 0 FCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000653153492 493077960 /nfs/dbraw/zinc/07/79/60/493077960.db2.gz QLLLGTNKWIYLAW-STQMWFEESA-N 2 2 371.279 0.713 20 0 FCADLP CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653155315 493079317 /nfs/dbraw/zinc/07/93/17/493079317.db2.gz OVGBPVFUMSCRKJ-INIZCTEOSA-N 2 2 370.519 0.516 20 0 FCADLP C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059093 493081387 /nfs/dbraw/zinc/08/13/87/493081387.db2.gz QNHBODZLXWMDTI-UHFFFAOYSA-N 2 2 354.401 0.999 20 0 FCADLP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059093 493081389 /nfs/dbraw/zinc/08/13/89/493081389.db2.gz QNHBODZLXWMDTI-UHFFFAOYSA-N 2 2 354.401 0.999 20 0 FCADLP C[N@H+](CCC(=O)Nc1cc(N)ccc1F)CC(=O)N1CC[NH+](C)CC1 ZINC000640060053 493082227 /nfs/dbraw/zinc/08/22/27/493082227.db2.gz YAUQNTLTPXNASW-UHFFFAOYSA-N 2 2 351.426 0.442 20 0 FCADLP C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)CC(=O)N1CC[NH+](C)CC1 ZINC000640060053 493082229 /nfs/dbraw/zinc/08/22/29/493082229.db2.gz YAUQNTLTPXNASW-UHFFFAOYSA-N 2 2 351.426 0.442 20 0 FCADLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(=O)c1ccc(Br)o1 ZINC000646833725 493108566 /nfs/dbraw/zinc/10/85/66/493108566.db2.gz ICQZLZPCJQERCT-SNVBAGLBSA-N 2 2 373.251 0.215 20 0 FCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(=O)c1ccc(Br)o1 ZINC000646833725 493108569 /nfs/dbraw/zinc/10/85/69/493108569.db2.gz ICQZLZPCJQERCT-SNVBAGLBSA-N 2 2 373.251 0.215 20 0 FCADLP Cc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c(C)c12 ZINC000646835573 493109586 /nfs/dbraw/zinc/10/95/86/493109586.db2.gz KTJGSFDGQMHAGN-OAHLLOKOSA-N 2 2 358.490 0.927 20 0 FCADLP Cc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c(C)c12 ZINC000646835573 493109591 /nfs/dbraw/zinc/10/95/91/493109591.db2.gz KTJGSFDGQMHAGN-OAHLLOKOSA-N 2 2 358.490 0.927 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383400 493110678 /nfs/dbraw/zinc/11/06/78/493110678.db2.gz NNQPUVFEKVYHTG-HKUYNNGSSA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383400 493110682 /nfs/dbraw/zinc/11/06/82/493110682.db2.gz NNQPUVFEKVYHTG-HKUYNNGSSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383400 493110687 /nfs/dbraw/zinc/11/06/87/493110687.db2.gz NNQPUVFEKVYHTG-HKUYNNGSSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383400 493110689 /nfs/dbraw/zinc/11/06/89/493110689.db2.gz NNQPUVFEKVYHTG-HKUYNNGSSA-N 2 2 370.497 0.725 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000627235164 493114692 /nfs/dbraw/zinc/11/46/92/493114692.db2.gz ULGKIARBUQEXPG-MRXNPFEDSA-N 2 2 370.461 0.548 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633075892 493115894 /nfs/dbraw/zinc/11/58/94/493115894.db2.gz LXXZLFNILNQVKY-IRXDYDNUSA-N 2 2 360.433 0.433 20 0 FCADLP O=C(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633075892 493115897 /nfs/dbraw/zinc/11/58/97/493115897.db2.gz LXXZLFNILNQVKY-IRXDYDNUSA-N 2 2 360.433 0.433 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000646876240 493116815 /nfs/dbraw/zinc/11/68/15/493116815.db2.gz WHPHPFSCAYXDDQ-CVEARBPZSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000653397178 493118243 /nfs/dbraw/zinc/11/82/43/493118243.db2.gz NUUIUKAZKUAHLR-NZSAHSFTSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)CC[N@H+]1C ZINC000653397178 493118246 /nfs/dbraw/zinc/11/82/46/493118246.db2.gz NUUIUKAZKUAHLR-NZSAHSFTSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397178 493118250 /nfs/dbraw/zinc/11/82/50/493118250.db2.gz NUUIUKAZKUAHLR-NZSAHSFTSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397178 493118255 /nfs/dbraw/zinc/11/82/55/493118255.db2.gz NUUIUKAZKUAHLR-NZSAHSFTSA-N 2 2 372.513 0.971 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633087774 493119549 /nfs/dbraw/zinc/11/95/49/493119549.db2.gz MVUFUZXOZCSTBM-PHIMTYICSA-N 2 2 359.352 0.367 20 0 FCADLP C[C@@H](COCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653397936 493119744 /nfs/dbraw/zinc/11/97/44/493119744.db2.gz CPRMFJDJQONHEI-HOCLYGCPSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](COCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653397936 493119748 /nfs/dbraw/zinc/11/97/48/493119748.db2.gz CPRMFJDJQONHEI-HOCLYGCPSA-N 2 2 366.506 0.202 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640608109 493121000 /nfs/dbraw/zinc/12/10/00/493121000.db2.gz KNDGQNDGBYIUQA-UHFFFAOYSA-N 2 2 362.478 0.817 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633090365 493121475 /nfs/dbraw/zinc/12/14/75/493121475.db2.gz DCWXDVGPDHYMAS-BHYGNILZSA-N 2 2 357.458 0.250 20 0 FCADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000633103000 493125841 /nfs/dbraw/zinc/12/58/41/493125841.db2.gz JSWUYYVTBVBQTD-IYBDPMFKSA-N 2 2 371.485 0.888 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000633138419 493135653 /nfs/dbraw/zinc/13/56/53/493135653.db2.gz BQVBFKSCBIDFQM-ZBFHGGJFSA-N 2 2 355.442 0.838 20 0 FCADLP CC[NH+](CC)Cc1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1 ZINC000640865798 493139325 /nfs/dbraw/zinc/13/93/25/493139325.db2.gz HQWBVYGKAYCLPW-UHFFFAOYSA-N 2 2 352.483 0.347 20 0 FCADLP CC1([NH3+])CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000646991223 493143090 /nfs/dbraw/zinc/14/30/90/493143090.db2.gz SVXFXAWUIQOTBY-UHFFFAOYSA-N 2 2 359.474 0.850 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000633312910 493144641 /nfs/dbraw/zinc/14/46/41/493144641.db2.gz XCCIMMKEVJDXAC-UHFFFAOYSA-N 2 2 350.467 0.348 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000627312570 493146405 /nfs/dbraw/zinc/14/64/05/493146405.db2.gz BQJYVHVOCFXWKG-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP CCCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@H]1CC[N@H+](C)C1 ZINC000647030873 493149528 /nfs/dbraw/zinc/14/95/28/493149528.db2.gz UYPUFBQXVLXFHJ-ZDUSSCGKSA-N 2 2 350.467 0.045 20 0 FCADLP CCCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@H]1CC[N@@H+](C)C1 ZINC000647030873 493149532 /nfs/dbraw/zinc/14/95/32/493149532.db2.gz UYPUFBQXVLXFHJ-ZDUSSCGKSA-N 2 2 350.467 0.045 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000659098544 493151020 /nfs/dbraw/zinc/15/10/20/493151020.db2.gz BLVOOGARLUKYAO-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659099331 493151909 /nfs/dbraw/zinc/15/19/09/493151909.db2.gz ZITOOPNPAKNDQX-MRXNPFEDSA-N 2 2 374.441 0.040 20 0 FCADLP [NH3+]CCCCc1cn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000641031462 493162435 /nfs/dbraw/zinc/16/24/35/493162435.db2.gz MPOYJNNEDUGXRI-UHFFFAOYSA-N 2 2 362.503 0.965 20 0 FCADLP CC[NH2+]Cc1cn(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)nn1 ZINC000641029077 493162846 /nfs/dbraw/zinc/16/28/46/493162846.db2.gz RINLDCXWLHXCIP-UHFFFAOYSA-N 2 2 372.473 0.741 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000627357750 493174499 /nfs/dbraw/zinc/17/44/99/493174499.db2.gz PEBREANIEOAFDT-CABCVRRESA-N 2 2 352.504 0.923 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641171592 493174496 /nfs/dbraw/zinc/17/44/96/493174496.db2.gz SNKMGUYJEORRKM-OAHLLOKOSA-N 2 2 366.429 0.828 20 0 FCADLP [NH3+]C1(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000659446623 493180361 /nfs/dbraw/zinc/18/03/61/493180361.db2.gz FUWJUTPFLJVNBH-UHFFFAOYSA-N 2 2 374.489 0.691 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659453311 493183405 /nfs/dbraw/zinc/18/34/05/493183405.db2.gz KYAXQCMVQINRMX-RCCFBDPRSA-N 2 2 363.481 0.816 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659453311 493183409 /nfs/dbraw/zinc/18/34/09/493183409.db2.gz KYAXQCMVQINRMX-RCCFBDPRSA-N 2 2 363.481 0.816 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc(OC)c1 ZINC000659287952 493185338 /nfs/dbraw/zinc/18/53/38/493185338.db2.gz OYCJHOODJUZJRU-UHFFFAOYSA-N 2 2 374.445 0.212 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@]3(C(N)=O)CCOC3)CC2)cc1 ZINC000653841468 493188853 /nfs/dbraw/zinc/18/88/53/493188853.db2.gz DPLAKYROQLRQMT-FQEVSTJZSA-N 2 2 374.485 0.263 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@]3(C(N)=O)CCOC3)CC2)cc1 ZINC000653841468 493188856 /nfs/dbraw/zinc/18/88/56/493188856.db2.gz DPLAKYROQLRQMT-FQEVSTJZSA-N 2 2 374.485 0.263 20 0 FCADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627397889 493202334 /nfs/dbraw/zinc/20/23/34/493202334.db2.gz YRCQIWOEKANVGE-LSDHHAIUSA-N 2 2 364.446 0.027 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672557375 493205684 /nfs/dbraw/zinc/20/56/84/493205684.db2.gz DSUIQIDCKLQEPW-APWZRJJASA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672557375 493205686 /nfs/dbraw/zinc/20/56/86/493205686.db2.gz DSUIQIDCKLQEPW-APWZRJJASA-N 2 2 366.506 0.299 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000666663558 493211761 /nfs/dbraw/zinc/21/17/61/493211761.db2.gz PXKRZPFNBAARQL-KRWDZBQOSA-N 2 2 368.522 0.730 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000666663558 493211765 /nfs/dbraw/zinc/21/17/65/493211765.db2.gz PXKRZPFNBAARQL-KRWDZBQOSA-N 2 2 368.522 0.730 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)CCC(=O)N1C ZINC000659551795 493211747 /nfs/dbraw/zinc/21/17/47/493211747.db2.gz VYLDBZGDROJXDH-NHCYSSNCSA-N 2 2 358.393 0.364 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659571349 493214959 /nfs/dbraw/zinc/21/49/59/493214959.db2.gz UOXNKXNWPZYWLX-UHFFFAOYSA-N 2 2 358.450 0.466 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659574894 493216045 /nfs/dbraw/zinc/21/60/45/493216045.db2.gz ZZILLCCRUURANE-OAHLLOKOSA-N 2 2 351.495 0.596 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666691974 493216451 /nfs/dbraw/zinc/21/64/51/493216451.db2.gz DDCDDCAYZSQIMU-INIZCTEOSA-N 2 2 360.458 0.668 20 0 FCADLP CCCN(CC1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637882 493220377 /nfs/dbraw/zinc/22/03/77/493220377.db2.gz PBKPJVYWNCHQMC-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CCCN(CC1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637882 493220379 /nfs/dbraw/zinc/22/03/79/493220379.db2.gz PBKPJVYWNCHQMC-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637802 493220409 /nfs/dbraw/zinc/22/04/09/493220409.db2.gz CKHPRVOCTWDDDV-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637802 493220411 /nfs/dbraw/zinc/22/04/11/493220411.db2.gz CKHPRVOCTWDDDV-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672637447 493220453 /nfs/dbraw/zinc/22/04/53/493220453.db2.gz HOWJGFXUVZEPNT-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672637447 493220456 /nfs/dbraw/zinc/22/04/56/493220456.db2.gz HOWJGFXUVZEPNT-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637741 493220674 /nfs/dbraw/zinc/22/06/74/493220674.db2.gz NWOATNVUHNBAOR-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637741 493220678 /nfs/dbraw/zinc/22/06/78/493220678.db2.gz NWOATNVUHNBAOR-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639922 493222210 /nfs/dbraw/zinc/22/22/10/493222210.db2.gz PBBIUNZHSQIZOG-KBPBESRZSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639922 493222212 /nfs/dbraw/zinc/22/22/12/493222212.db2.gz PBBIUNZHSQIZOG-KBPBESRZSA-N 2 2 354.520 0.235 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000672639424 493222838 /nfs/dbraw/zinc/22/28/38/493222838.db2.gz CFFCWYZYRGPUEF-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000672639424 493222841 /nfs/dbraw/zinc/22/28/41/493222841.db2.gz CFFCWYZYRGPUEF-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP COCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640883 493223810 /nfs/dbraw/zinc/22/38/10/493223810.db2.gz LGLSBQGRLRMKMM-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP COCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672640883 493223813 /nfs/dbraw/zinc/22/38/13/493223813.db2.gz LGLSBQGRLRMKMM-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640063 493224009 /nfs/dbraw/zinc/22/40/09/493224009.db2.gz HPTWTZVFPBPIDN-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCOCCN(CC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640063 493224013 /nfs/dbraw/zinc/22/40/13/493224013.db2.gz HPTWTZVFPBPIDN-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640086 493224416 /nfs/dbraw/zinc/22/44/16/493224416.db2.gz RJSJTXNAZASQSI-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640086 493224418 /nfs/dbraw/zinc/22/44/18/493224418.db2.gz RJSJTXNAZASQSI-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640910 493224729 /nfs/dbraw/zinc/22/47/29/493224729.db2.gz LZSKPNINORXCCQ-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640910 493224732 /nfs/dbraw/zinc/22/47/32/493224732.db2.gz LZSKPNINORXCCQ-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3CCO)C2)CC1 ZINC000672641361 493224801 /nfs/dbraw/zinc/22/48/01/493224801.db2.gz QHLFOXBCTJTEAR-RDJZCZTQSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3CCO)C2)CC1 ZINC000672641361 493224804 /nfs/dbraw/zinc/22/48/04/493224804.db2.gz QHLFOXBCTJTEAR-RDJZCZTQSA-N 2 2 366.506 0.035 20 0 FCADLP COCC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672641482 493226751 /nfs/dbraw/zinc/22/67/51/493226751.db2.gz QJNZPCIKOJVERP-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP COCC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672641482 493226753 /nfs/dbraw/zinc/22/67/53/493226753.db2.gz QJNZPCIKOJVERP-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP CCOC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641494 493226766 /nfs/dbraw/zinc/22/67/66/493226766.db2.gz SEZPRCYFZGTCBB-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP CCOC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641494 493226767 /nfs/dbraw/zinc/22/67/67/493226767.db2.gz SEZPRCYFZGTCBB-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641388 493226796 /nfs/dbraw/zinc/22/67/96/493226796.db2.gz PWFNKZXDOKMARV-DNVCBOLYSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641388 493226798 /nfs/dbraw/zinc/22/67/98/493226798.db2.gz PWFNKZXDOKMARV-DNVCBOLYSA-N 2 2 350.507 0.920 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C)[C@H]1CC[NH2+]C1 ZINC000659639722 493227083 /nfs/dbraw/zinc/22/70/83/493227083.db2.gz CMKQHYNDMHSZMW-SQWLQELKSA-N 2 2 362.478 0.866 20 0 FCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643388 493228177 /nfs/dbraw/zinc/22/81/77/493228177.db2.gz WXAIYSWHLPYICJ-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643388 493228181 /nfs/dbraw/zinc/22/81/81/493228181.db2.gz WXAIYSWHLPYICJ-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642917 493228203 /nfs/dbraw/zinc/22/82/03/493228203.db2.gz JUHMFGVDRCVRIG-HUUCEWRRSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642917 493228206 /nfs/dbraw/zinc/22/82/06/493228206.db2.gz JUHMFGVDRCVRIG-HUUCEWRRSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000672693851 493233683 /nfs/dbraw/zinc/23/36/83/493233683.db2.gz IGYGPSXRHFMDHI-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000672695757 493234903 /nfs/dbraw/zinc/23/49/03/493234903.db2.gz TXATXCCIUKMCLS-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)C[C@@H]21 ZINC000666949595 493241732 /nfs/dbraw/zinc/24/17/32/493241732.db2.gz YKQDKJPHTNCJHH-YLFCFFPRSA-N 2 2 364.490 0.354 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)C[C@@H]21 ZINC000666949595 493241736 /nfs/dbraw/zinc/24/17/36/493241736.db2.gz YKQDKJPHTNCJHH-YLFCFFPRSA-N 2 2 364.490 0.354 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978205 493245013 /nfs/dbraw/zinc/24/50/13/493245013.db2.gz UJNYKDDJOGLYMF-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000672765254 493247001 /nfs/dbraw/zinc/24/70/01/493247001.db2.gz GMGRKSHRPXFYDL-YOEHRIQHSA-N 2 2 369.469 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000672765254 493247005 /nfs/dbraw/zinc/24/70/05/493247005.db2.gz GMGRKSHRPXFYDL-YOEHRIQHSA-N 2 2 369.469 0.900 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672766044 493247046 /nfs/dbraw/zinc/24/70/46/493247046.db2.gz BQVJVMLKZFUCRI-UHFFFAOYSA-N 2 2 357.458 0.902 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000667262945 493269941 /nfs/dbraw/zinc/26/99/41/493269941.db2.gz QTSZXIBVPVTLMZ-MRXNPFEDSA-N 2 2 360.458 0.716 20 0 FCADLP Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682229606 493280819 /nfs/dbraw/zinc/28/08/19/493280819.db2.gz KTMIRIYBNPXVDA-OAHLLOKOSA-N 2 2 362.478 0.294 20 0 FCADLP Cc1c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682229606 493280823 /nfs/dbraw/zinc/28/08/23/493280823.db2.gz KTMIRIYBNPXVDA-OAHLLOKOSA-N 2 2 362.478 0.294 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000659750651 493285959 /nfs/dbraw/zinc/28/59/59/493285959.db2.gz PDSGKEXFJBRBBY-CABCVRRESA-N 2 2 362.474 0.625 20 0 FCADLP COc1ccc(CN2CC[C@H]([NH+]3CCN(C(=O)C[NH+](C)C)CC3)C2=O)cc1 ZINC000659837442 493294566 /nfs/dbraw/zinc/29/45/66/493294566.db2.gz GQKKYVIUTLVUIG-SFHVURJKSA-N 2 2 374.485 0.502 20 0 FCADLP Cc1cnc2nc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)nn2c1 ZINC000667642001 493294663 /nfs/dbraw/zinc/29/46/63/493294663.db2.gz LMSPEZALXSCAJW-UHFFFAOYSA-N 2 2 357.462 0.721 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000673223648 493304832 /nfs/dbraw/zinc/30/48/32/493304832.db2.gz DSTWJGLAJGRQKJ-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000673223647 493305029 /nfs/dbraw/zinc/30/50/29/493305029.db2.gz DSTWJGLAJGRQKJ-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673286538 493312277 /nfs/dbraw/zinc/31/22/77/493312277.db2.gz WHNTZPOQNWMIJB-YJBOKZPZSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673286538 493312279 /nfs/dbraw/zinc/31/22/79/493312279.db2.gz WHNTZPOQNWMIJB-YJBOKZPZSA-N 2 2 374.485 0.468 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000673286554 493312636 /nfs/dbraw/zinc/31/26/36/493312636.db2.gz UQPVAUKNPPTSEY-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000673286554 493312639 /nfs/dbraw/zinc/31/26/39/493312639.db2.gz UQPVAUKNPPTSEY-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000673286554 493312642 /nfs/dbraw/zinc/31/26/42/493312642.db2.gz UQPVAUKNPPTSEY-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000673286554 493312644 /nfs/dbraw/zinc/31/26/44/493312644.db2.gz UQPVAUKNPPTSEY-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287891 493312948 /nfs/dbraw/zinc/31/29/48/493312948.db2.gz GPBGRJUOIAUGJJ-JEBQAFNWSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287891 493312952 /nfs/dbraw/zinc/31/29/52/493312952.db2.gz GPBGRJUOIAUGJJ-JEBQAFNWSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287891 493312956 /nfs/dbraw/zinc/31/29/56/493312956.db2.gz GPBGRJUOIAUGJJ-JEBQAFNWSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287891 493312958 /nfs/dbraw/zinc/31/29/58/493312958.db2.gz GPBGRJUOIAUGJJ-JEBQAFNWSA-N 2 2 356.470 0.888 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000673303948 493315632 /nfs/dbraw/zinc/31/56/32/493315632.db2.gz PVELZXOMPQDNMP-JKSUJKDBSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000673303948 493315634 /nfs/dbraw/zinc/31/56/34/493315634.db2.gz PVELZXOMPQDNMP-JKSUJKDBSA-N 2 2 359.474 0.575 20 0 FCADLP COCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCOCC1 ZINC000660634203 493368921 /nfs/dbraw/zinc/36/89/21/493368921.db2.gz IXUCGVWLLPNNSI-UHFFFAOYSA-N 2 2 351.447 0.709 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000660694127 493373128 /nfs/dbraw/zinc/37/31/28/493373128.db2.gz UHAXVQRUIZAQLH-UHFFFAOYSA-N 2 2 354.495 0.779 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842231 493373666 /nfs/dbraw/zinc/37/36/66/493373666.db2.gz SAKPHGZWXLHBMP-ZMSDIMECSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842231 493373669 /nfs/dbraw/zinc/37/36/69/493373669.db2.gz SAKPHGZWXLHBMP-ZMSDIMECSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000683842231 493373672 /nfs/dbraw/zinc/37/36/72/493373672.db2.gz SAKPHGZWXLHBMP-ZMSDIMECSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000683842231 493373674 /nfs/dbraw/zinc/37/36/74/493373674.db2.gz SAKPHGZWXLHBMP-ZMSDIMECSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660707715 493374643 /nfs/dbraw/zinc/37/46/43/493374643.db2.gz RIGGJZXPFURNMS-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660712408 493375736 /nfs/dbraw/zinc/37/57/36/493375736.db2.gz JTWOXLPUIISKBC-WMZOPIPTSA-N 3 2 365.522 0.271 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660712408 493375741 /nfs/dbraw/zinc/37/57/41/493375741.db2.gz JTWOXLPUIISKBC-WMZOPIPTSA-N 3 2 365.522 0.271 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000668569961 493377443 /nfs/dbraw/zinc/37/74/43/493377443.db2.gz KXOANFNBLUFAJX-AWEZNQCLSA-N 2 2 356.430 0.699 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2nnnn2-c2ccccc2)CC1 ZINC000674031213 493382798 /nfs/dbraw/zinc/38/27/98/493382798.db2.gz ZIEAYDWFIJVQRL-UHFFFAOYSA-N 2 2 372.477 0.488 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668672046 493394855 /nfs/dbraw/zinc/39/48/55/493394855.db2.gz FGCDCCXWKMOYIF-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668672046 493394857 /nfs/dbraw/zinc/39/48/57/493394857.db2.gz FGCDCCXWKMOYIF-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP CC[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000668720959 493401003 /nfs/dbraw/zinc/40/10/03/493401003.db2.gz FWMTTYFDERNCFV-KRWDZBQOSA-N 2 2 350.507 0.966 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000674397309 493413245 /nfs/dbraw/zinc/41/32/45/493413245.db2.gz DLYGJSZSNYKPOY-CQSZACIVSA-N 3 2 363.510 0.454 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000674397309 493413247 /nfs/dbraw/zinc/41/32/47/493413247.db2.gz DLYGJSZSNYKPOY-CQSZACIVSA-N 3 2 363.510 0.454 20 0 FCADLP CC[N@@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@@H]1C ZINC000684585521 493421426 /nfs/dbraw/zinc/42/14/26/493421426.db2.gz BETMTXUOOWCGHA-ZDUSSCGKSA-N 2 2 357.524 0.776 20 0 FCADLP CC[N@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C[C@@H]1C ZINC000684585521 493421427 /nfs/dbraw/zinc/42/14/27/493421427.db2.gz BETMTXUOOWCGHA-ZDUSSCGKSA-N 2 2 357.524 0.776 20 0 FCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000661276174 493423349 /nfs/dbraw/zinc/42/33/49/493423349.db2.gz VTOKENPDFYDYLQ-CRAIPNDOSA-N 2 2 374.489 0.818 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000661310321 493426373 /nfs/dbraw/zinc/42/63/73/493426373.db2.gz AOOZBUNMZMUVFW-UHFFFAOYSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000661310321 493426374 /nfs/dbraw/zinc/42/63/74/493426374.db2.gz AOOZBUNMZMUVFW-UHFFFAOYSA-N 2 2 350.467 0.348 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1COCCO1 ZINC000661607011 493451893 /nfs/dbraw/zinc/45/18/93/493451893.db2.gz PNUGEEQCIKTMHL-SFHVURJKSA-N 2 2 363.458 0.805 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1COCCO1 ZINC000661607011 493451895 /nfs/dbraw/zinc/45/18/95/493451895.db2.gz PNUGEEQCIKTMHL-SFHVURJKSA-N 2 2 363.458 0.805 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000674887790 493455833 /nfs/dbraw/zinc/45/58/33/493455833.db2.gz MBHMQTODSTXYMO-UHFFFAOYSA-N 2 2 373.457 0.404 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000661675179 493457102 /nfs/dbraw/zinc/45/71/02/493457102.db2.gz HZNWLCMEZXPTJC-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000661675179 493457105 /nfs/dbraw/zinc/45/71/05/493457105.db2.gz HZNWLCMEZXPTJC-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685277275 493471898 /nfs/dbraw/zinc/47/18/98/493471898.db2.gz MQNYQVWAAGRDQM-JKSUJKDBSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000685277275 493471900 /nfs/dbraw/zinc/47/19/00/493471900.db2.gz MQNYQVWAAGRDQM-JKSUJKDBSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1C1CC1 ZINC000685276967 493472165 /nfs/dbraw/zinc/47/21/65/493472165.db2.gz KEUIIKBARBDOMZ-JJRVBVJISA-N 2 2 358.442 0.803 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1C1CC1 ZINC000685276967 493472169 /nfs/dbraw/zinc/47/21/69/493472169.db2.gz KEUIIKBARBDOMZ-JJRVBVJISA-N 2 2 358.442 0.803 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199559 493475972 /nfs/dbraw/zinc/47/59/72/493475972.db2.gz ZGDJUVRMNSWXSX-GJZGRUSLSA-N 2 2 359.474 0.766 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199559 493475975 /nfs/dbraw/zinc/47/59/75/493475975.db2.gz ZGDJUVRMNSWXSX-GJZGRUSLSA-N 2 2 359.474 0.766 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498200 /nfs/dbraw/zinc/49/82/00/493498200.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498204 /nfs/dbraw/zinc/49/82/04/493498204.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498207 /nfs/dbraw/zinc/49/82/07/493498207.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498211 /nfs/dbraw/zinc/49/82/11/493498211.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498214 /nfs/dbraw/zinc/49/82/14/493498214.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498216 /nfs/dbraw/zinc/49/82/16/493498216.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498219 /nfs/dbraw/zinc/49/82/19/493498219.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000662222570 493498222 /nfs/dbraw/zinc/49/82/22/493498222.db2.gz GEMRGGJOABAZCI-LWYYNNOASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222566 493498573 /nfs/dbraw/zinc/49/85/73/493498573.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222566 493498575 /nfs/dbraw/zinc/49/85/75/493498575.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222566 493498578 /nfs/dbraw/zinc/49/85/78/493498578.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222566 493498581 /nfs/dbraw/zinc/49/85/81/493498581.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222566 493498583 /nfs/dbraw/zinc/49/85/83/493498583.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222566 493498586 /nfs/dbraw/zinc/49/85/86/493498586.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222566 493498588 /nfs/dbraw/zinc/49/85/88/493498588.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222566 493498591 /nfs/dbraw/zinc/49/85/91/493498591.db2.gz GEMRGGJOABAZCI-JVSBHGNQSA-N 3 2 372.598 0.783 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@H](C)[C@H]2C)CCO1 ZINC000662226265 493498664 /nfs/dbraw/zinc/49/86/64/493498664.db2.gz YNHJRRYVNTUDRS-UAFMIMERSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@H](C)[C@H]2C)CCO1 ZINC000662226265 493498666 /nfs/dbraw/zinc/49/86/66/493498666.db2.gz YNHJRRYVNTUDRS-UAFMIMERSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@H](C)C3)[C@H](C)[C@H]2C)CCO1 ZINC000662226265 493498668 /nfs/dbraw/zinc/49/86/68/493498668.db2.gz YNHJRRYVNTUDRS-UAFMIMERSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@H](C)C3)[C@H](C)[C@H]2C)CCO1 ZINC000662226265 493498669 /nfs/dbraw/zinc/49/86/69/493498669.db2.gz YNHJRRYVNTUDRS-UAFMIMERSA-N 2 2 368.566 0.822 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662284911 493502364 /nfs/dbraw/zinc/50/23/64/493502364.db2.gz QOWBIBPSXRDPTJ-UHFFFAOYSA-N 3 2 374.529 0.733 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662284911 493502367 /nfs/dbraw/zinc/50/23/67/493502367.db2.gz QOWBIBPSXRDPTJ-UHFFFAOYSA-N 3 2 374.529 0.733 20 0 FCADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c(C)c1 ZINC000662285650 493502412 /nfs/dbraw/zinc/50/24/12/493502412.db2.gz KPPUZBULLMMNME-UHFFFAOYSA-N 2 2 362.474 0.371 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662285946 493502670 /nfs/dbraw/zinc/50/26/70/493502670.db2.gz BNZQVJDAXVAZJA-UHFFFAOYSA-N 3 2 374.529 0.733 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662285946 493502673 /nfs/dbraw/zinc/50/26/73/493502673.db2.gz BNZQVJDAXVAZJA-UHFFFAOYSA-N 3 2 374.529 0.733 20 0 FCADLP COc1cc(OC)c(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1Cl ZINC000662286065 493502822 /nfs/dbraw/zinc/50/28/22/493502822.db2.gz SMGOEBIWFORPMN-UHFFFAOYSA-N 2 2 357.838 1.000 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000669430935 493503549 /nfs/dbraw/zinc/50/35/49/493503549.db2.gz AUXHKNLAJHEUAB-MRXNPFEDSA-N 2 2 374.489 0.562 20 0 FCADLP O=C(NCC[NH2+]C1CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000669431052 493503800 /nfs/dbraw/zinc/50/38/00/493503800.db2.gz YBEZCNZPOISQHF-UHFFFAOYSA-N 2 2 360.462 0.172 20 0 FCADLP COC1CC[NH+](C2(CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CCCC2)CC1 ZINC000669469685 493505298 /nfs/dbraw/zinc/50/52/98/493505298.db2.gz XHFQXHMMCNZHTB-INIZCTEOSA-N 3 2 367.538 0.694 20 0 FCADLP COC1CC[NH+](C2(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CCCC2)CC1 ZINC000669469685 493505301 /nfs/dbraw/zinc/50/53/01/493505301.db2.gz XHFQXHMMCNZHTB-INIZCTEOSA-N 3 2 367.538 0.694 20 0 FCADLP CCOc1ccc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)nn1 ZINC000662327360 493507075 /nfs/dbraw/zinc/50/70/75/493507075.db2.gz OLJQHQUUWINCDG-ROUUACIJSA-N 2 2 371.485 0.928 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000685645889 493507168 /nfs/dbraw/zinc/50/71/68/493507168.db2.gz UFKKSNIEMMSLOX-MRXNPFEDSA-N 2 2 366.487 0.075 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662357301 493509135 /nfs/dbraw/zinc/50/91/35/493509135.db2.gz WMYKBGDGEWRRGN-UHFFFAOYSA-N 2 2 358.446 0.512 20 0 FCADLP Cc1c[nH]nc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000669602380 493513048 /nfs/dbraw/zinc/51/30/48/493513048.db2.gz XJLSKCUPAUTVNU-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662457106 493517348 /nfs/dbraw/zinc/51/73/48/493517348.db2.gz CCSMMEXCFHJOGH-HUUCEWRRSA-N 2 2 362.478 0.396 20 0 FCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662457106 493517349 /nfs/dbraw/zinc/51/73/49/493517349.db2.gz CCSMMEXCFHJOGH-HUUCEWRRSA-N 2 2 362.478 0.396 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662531657 493524209 /nfs/dbraw/zinc/52/42/09/493524209.db2.gz ZQIOWXBBAIGPEU-ARFHVFGLSA-N 2 2 362.478 0.494 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631780 493529040 /nfs/dbraw/zinc/52/90/40/493529040.db2.gz VJZAURVAMVZCSN-QWHCGFSZSA-N 2 2 350.467 0.350 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631780 493529043 /nfs/dbraw/zinc/52/90/43/493529043.db2.gz VJZAURVAMVZCSN-QWHCGFSZSA-N 2 2 350.467 0.350 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241322 493533968 /nfs/dbraw/zinc/53/39/68/493533968.db2.gz ABTQBVCPKZRHRK-ZBFHGGJFSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241322 493533969 /nfs/dbraw/zinc/53/39/69/493533969.db2.gz ABTQBVCPKZRHRK-ZBFHGGJFSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H]([C@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662721315 493534774 /nfs/dbraw/zinc/53/47/74/493534774.db2.gz UCZYDQHTSNBYSM-RRFJBIMHSA-N 2 2 350.467 0.432 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676264331 493538404 /nfs/dbraw/zinc/53/84/04/493538404.db2.gz NKDNGRPUOLDRNB-HUUCEWRRSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676264331 493538406 /nfs/dbraw/zinc/53/84/06/493538406.db2.gz NKDNGRPUOLDRNB-HUUCEWRRSA-N 2 2 366.466 0.056 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662801273 493543084 /nfs/dbraw/zinc/54/30/84/493543084.db2.gz VDFXZGZSGVXUTL-ZWKOTPCHSA-N 2 2 360.458 0.653 20 0 FCADLP C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303494 493543227 /nfs/dbraw/zinc/54/32/27/493543227.db2.gz CUIOIYFWQOSQTJ-WMZOPIPTSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303494 493543229 /nfs/dbraw/zinc/54/32/29/493543229.db2.gz CUIOIYFWQOSQTJ-WMZOPIPTSA-N 2 2 368.522 0.849 20 0 FCADLP O=C(N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@@]1(O)CCC[NH2+]C1 ZINC000662810385 493543820 /nfs/dbraw/zinc/54/38/20/493543820.db2.gz QSLGMGYAUOQWKR-HNAYVOBHSA-N 2 2 360.458 0.776 20 0 FCADLP O=C(N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@]1(O)CCC[NH2+]C1 ZINC000662810383 493544004 /nfs/dbraw/zinc/54/40/04/493544004.db2.gz QSLGMGYAUOQWKR-BEFAXECRSA-N 2 2 360.458 0.776 20 0 FCADLP COC[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000662851155 493546869 /nfs/dbraw/zinc/54/68/69/493546869.db2.gz XRTSFCDDBSZKTD-WSTZPKSXSA-N 2 2 359.470 0.724 20 0 FCADLP COC[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000662851155 493546871 /nfs/dbraw/zinc/54/68/71/493546871.db2.gz XRTSFCDDBSZKTD-WSTZPKSXSA-N 2 2 359.470 0.724 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCC(=O)N1C ZINC000662973318 493562850 /nfs/dbraw/zinc/56/28/50/493562850.db2.gz YWBCARJUQXYOGN-MKBNYLNASA-N 2 2 371.445 0.312 20 0 FCADLP CN(C(=O)C(=O)NCc1ccncc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670421187 493564265 /nfs/dbraw/zinc/56/42/65/493564265.db2.gz XJDKLMNODQLXFM-KRWDZBQOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(C(=O)C(=O)NCc1ccncc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670421187 493564267 /nfs/dbraw/zinc/56/42/67/493564267.db2.gz XJDKLMNODQLXFM-KRWDZBQOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670422102 493564546 /nfs/dbraw/zinc/56/45/46/493564546.db2.gz SYOYHKDLUXIXTP-GOSISDBHSA-N 2 2 373.501 0.367 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670422102 493564547 /nfs/dbraw/zinc/56/45/47/493564547.db2.gz SYOYHKDLUXIXTP-GOSISDBHSA-N 2 2 373.501 0.367 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663385146 493586112 /nfs/dbraw/zinc/58/61/12/493586112.db2.gz RILICLNYIVNVNR-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663385146 493586114 /nfs/dbraw/zinc/58/61/14/493586114.db2.gz RILICLNYIVNVNR-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCOCC3CC3)C2)CC1 ZINC000670712141 493589912 /nfs/dbraw/zinc/58/99/12/493589912.db2.gz GKZROHRJTHEHRI-INIZCTEOSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663558029 493598292 /nfs/dbraw/zinc/59/82/92/493598292.db2.gz GMVJWWXUBSBJSF-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663558029 493598293 /nfs/dbraw/zinc/59/82/93/493598293.db2.gz GMVJWWXUBSBJSF-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000670814399 493599779 /nfs/dbraw/zinc/59/97/79/493599779.db2.gz YZXOOMVTDZJQOI-NVXWUHKLSA-N 2 2 368.522 0.306 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000663616678 493604255 /nfs/dbraw/zinc/60/42/55/493604255.db2.gz COIBPVLBRFTOJB-UHFFFAOYSA-N 2 2 374.489 0.645 20 0 FCADLP CC[C@@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670849450 493606155 /nfs/dbraw/zinc/60/61/55/493606155.db2.gz NRISJMSNSOXPDD-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670849450 493606157 /nfs/dbraw/zinc/60/61/57/493606157.db2.gz NRISJMSNSOXPDD-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1ccn2cc(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[nH+]c2c1 ZINC000663770444 493617083 /nfs/dbraw/zinc/61/70/83/493617083.db2.gz APCDHWHFKNWVNN-UHFFFAOYSA-N 2 2 360.462 0.804 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664027307 493631313 /nfs/dbraw/zinc/63/13/13/493631313.db2.gz ZPQVSXADHZLVJD-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000678064102 493632261 /nfs/dbraw/zinc/63/22/61/493632261.db2.gz IIMPXYWUTXQCPF-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000671122943 493639217 /nfs/dbraw/zinc/63/92/17/493639217.db2.gz RBHNOMJMTQROBW-OAHLLOKOSA-N 2 2 356.470 0.719 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000671122943 493639218 /nfs/dbraw/zinc/63/92/18/493639218.db2.gz RBHNOMJMTQROBW-OAHLLOKOSA-N 2 2 356.470 0.719 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671348523 493658370 /nfs/dbraw/zinc/65/83/70/493658370.db2.gz JZHVLSKRRKXOEC-UHFFFAOYSA-N 2 2 355.442 0.912 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000671394543 493664655 /nfs/dbraw/zinc/66/46/55/493664655.db2.gz JXUAGGGIMXNJEG-INIZCTEOSA-N 2 2 374.485 0.203 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664521014 493665306 /nfs/dbraw/zinc/66/53/06/493665306.db2.gz QICRWGGKKNWJNV-NVXWUHKLSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664521014 493665309 /nfs/dbraw/zinc/66/53/09/493665309.db2.gz QICRWGGKKNWJNV-NVXWUHKLSA-N 2 2 359.474 0.901 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(N3CN=NC3=O)CC2)CC1 ZINC000664538147 493666345 /nfs/dbraw/zinc/66/63/45/493666345.db2.gz ZKXVWIVRYMMACM-UHFFFAOYSA-N 2 2 365.482 0.356 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000664597661 493670491 /nfs/dbraw/zinc/67/04/91/493670491.db2.gz BWFKADUSUHULIP-SJORKVTESA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000664597661 493670493 /nfs/dbraw/zinc/67/04/93/493670493.db2.gz BWFKADUSUHULIP-SJORKVTESA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH+]cn1 ZINC000664597661 493670496 /nfs/dbraw/zinc/67/04/96/493670496.db2.gz BWFKADUSUHULIP-SJORKVTESA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH+]cn1 ZINC000664597661 493670499 /nfs/dbraw/zinc/67/04/99/493670499.db2.gz BWFKADUSUHULIP-SJORKVTESA-N 2 2 361.490 0.863 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597846 493670665 /nfs/dbraw/zinc/67/06/65/493670665.db2.gz QKKHFOQMZVRYMF-ZMSDIMECSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597846 493670666 /nfs/dbraw/zinc/67/06/66/493670666.db2.gz QKKHFOQMZVRYMF-ZMSDIMECSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597846 493670669 /nfs/dbraw/zinc/67/06/69/493670669.db2.gz QKKHFOQMZVRYMF-ZMSDIMECSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597846 493670670 /nfs/dbraw/zinc/67/06/70/493670670.db2.gz QKKHFOQMZVRYMF-ZMSDIMECSA-N 2 2 361.490 0.719 20 0 FCADLP Cc1ccc2nc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)cc(=O)n2c1 ZINC000679423113 493680148 /nfs/dbraw/zinc/68/01/48/493680148.db2.gz IYBMCTSCTJFBDZ-UHFFFAOYSA-N 2 2 372.469 0.662 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679506895 493683899 /nfs/dbraw/zinc/68/38/99/493683899.db2.gz OCEDZZOYGWSNDP-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 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CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410806340 528433135 /nfs/dbraw/zinc/43/31/35/528433135.db2.gz DPXUKBKWDNXEND-UHFFFAOYSA-N 3 2 369.554 0.271 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000410727383 528711471 /nfs/dbraw/zinc/71/14/71/528711471.db2.gz AXIUZIZXCUDUBT-INIZCTEOSA-N 2 2 361.490 0.976 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000410727383 528711474 /nfs/dbraw/zinc/71/14/74/528711474.db2.gz AXIUZIZXCUDUBT-INIZCTEOSA-N 2 2 361.490 0.976 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410698794 528737996 /nfs/dbraw/zinc/73/79/96/528737996.db2.gz OKHZIDXIQAQBMQ-INIZCTEOSA-N 2 2 361.490 0.976 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410698794 528738006 /nfs/dbraw/zinc/73/80/06/528738006.db2.gz OKHZIDXIQAQBMQ-INIZCTEOSA-N 2 2 361.490 0.976 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410695925 528739477 /nfs/dbraw/zinc/73/94/77/528739477.db2.gz GSYHENKXYUWGGS-IRXDYDNUSA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410695925 528739481 /nfs/dbraw/zinc/73/94/81/528739481.db2.gz GSYHENKXYUWGGS-IRXDYDNUSA-N 2 2 360.458 0.860 20 0 FCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410927142 528857352 /nfs/dbraw/zinc/85/73/52/528857352.db2.gz JSBQOKZNLFUDTC-JKSUJKDBSA-N 2 2 361.490 0.847 20 0 FCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410927142 528857355 /nfs/dbraw/zinc/85/73/55/528857355.db2.gz JSBQOKZNLFUDTC-JKSUJKDBSA-N 2 2 361.490 0.847 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000410523155 529029618 /nfs/dbraw/zinc/02/96/18/529029618.db2.gz HVJSRTRXRMIQLC-UHFFFAOYSA-N 2 2 361.490 0.754 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410468998 529116304 /nfs/dbraw/zinc/11/63/04/529116304.db2.gz CGPPHZAMHMUPMX-CABCVRRESA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410468998 529116307 /nfs/dbraw/zinc/11/63/07/529116307.db2.gz CGPPHZAMHMUPMX-CABCVRRESA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000187213604 529146604 /nfs/dbraw/zinc/14/66/04/529146604.db2.gz SAGKLKAPTUJANK-KRWDZBQOSA-N 2 2 355.527 0.282 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000187213604 529146607 /nfs/dbraw/zinc/14/66/07/529146607.db2.gz SAGKLKAPTUJANK-KRWDZBQOSA-N 2 2 355.527 0.282 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000187213604 529146608 /nfs/dbraw/zinc/14/66/08/529146608.db2.gz SAGKLKAPTUJANK-KRWDZBQOSA-N 2 2 355.527 0.282 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000187213604 529146610 /nfs/dbraw/zinc/14/66/10/529146610.db2.gz SAGKLKAPTUJANK-KRWDZBQOSA-N 2 2 355.527 0.282 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000413428151 529254519 /nfs/dbraw/zinc/25/45/19/529254519.db2.gz PLQTZELQOAOEGV-JYJNAYRXSA-N 2 2 356.511 0.306 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)C1(C)C ZINC000423900892 535438861 /nfs/dbraw/zinc/43/88/61/535438861.db2.gz SHGXHWVCVQOQDR-HBUWYVDXSA-N 2 2 355.479 0.615 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)C1(C)C ZINC000423900892 535438862 /nfs/dbraw/zinc/43/88/62/535438862.db2.gz SHGXHWVCVQOQDR-HBUWYVDXSA-N 2 2 355.479 0.615 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419153631 535509197 /nfs/dbraw/zinc/50/91/97/535509197.db2.gz PATLECOCQANZEO-OAHLLOKOSA-N 2 2 357.458 0.856 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843317 535579587 /nfs/dbraw/zinc/57/95/87/535579587.db2.gz HVIUIAJPOVOKAB-QZTJIDSGSA-N 3 2 361.490 0.477 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000423061890 535590783 /nfs/dbraw/zinc/59/07/83/535590783.db2.gz RTMYRDIMGHWNFT-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425370950 535604378 /nfs/dbraw/zinc/60/43/78/535604378.db2.gz FEPHVLDUIHNOTQ-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425370950 535604387 /nfs/dbraw/zinc/60/43/87/535604387.db2.gz FEPHVLDUIHNOTQ-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP CCOCCO[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000441659086 535659565 /nfs/dbraw/zinc/65/95/65/535659565.db2.gz NWUBOBOAXIEYOP-INIZCTEOSA-N 2 2 357.495 0.341 20 0 FCADLP CCOCCO[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000441659086 535659569 /nfs/dbraw/zinc/65/95/69/535659569.db2.gz NWUBOBOAXIEYOP-INIZCTEOSA-N 2 2 357.495 0.341 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000419212191 535684953 /nfs/dbraw/zinc/68/49/53/535684953.db2.gz ZJZQMNIUHVZOQY-CVEARBPZSA-N 2 2 359.474 0.897 20 0 FCADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427044248 535907791 /nfs/dbraw/zinc/90/77/91/535907791.db2.gz LTBBSDXZCCTSRP-OAHLLOKOSA-N 2 2 371.441 0.893 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423608097 536355682 /nfs/dbraw/zinc/35/56/82/536355682.db2.gz JWNXKEVKYVMRCQ-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423608097 536355684 /nfs/dbraw/zinc/35/56/84/536355684.db2.gz JWNXKEVKYVMRCQ-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000419948729 536449751 /nfs/dbraw/zinc/44/97/51/536449751.db2.gz KNSNQJJKDZHXTK-MRXNPFEDSA-N 3 2 367.538 0.025 20 0 FCADLP COC(=O)CSCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817226 546534445 /nfs/dbraw/zinc/53/44/45/546534445.db2.gz BWJYDFYSJIHTGA-OAHLLOKOSA-N 2 2 357.520 0.910 20 0 FCADLP COC(=O)CSCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817226 546534447 /nfs/dbraw/zinc/53/44/47/546534447.db2.gz BWJYDFYSJIHTGA-OAHLLOKOSA-N 2 2 357.520 0.910 20 0 FCADLP CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592474254 546651255 /nfs/dbraw/zinc/65/12/55/546651255.db2.gz LILVGDYJQABLJN-UHFFFAOYSA-N 2 2 370.475 0.812 20 0 FCADLP CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592474254 546651259 /nfs/dbraw/zinc/65/12/59/546651259.db2.gz LILVGDYJQABLJN-UHFFFAOYSA-N 2 2 370.475 0.812 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC000431957461 546844232 /nfs/dbraw/zinc/84/42/32/546844232.db2.gz KKIXIYINYZUIDI-YARXLOAZSA-N 2 2 352.479 0.618 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000434353766 546846812 /nfs/dbraw/zinc/84/68/12/546846812.db2.gz XPDIHHPBCZUSCW-QGZVFWFLSA-N 2 2 354.495 0.339 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000434353766 546846818 /nfs/dbraw/zinc/84/68/18/546846818.db2.gz XPDIHHPBCZUSCW-QGZVFWFLSA-N 2 2 354.495 0.339 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)cs1 ZINC000652889382 546885173 /nfs/dbraw/zinc/88/51/73/546885173.db2.gz QNGYOWFPXZEZMA-QGZVFWFLSA-N 2 2 364.515 0.941 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)cs1 ZINC000652889382 546885177 /nfs/dbraw/zinc/88/51/77/546885177.db2.gz QNGYOWFPXZEZMA-QGZVFWFLSA-N 2 2 364.515 0.941 20 0 FCADLP CCN1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000547692776 547054680 /nfs/dbraw/zinc/05/46/80/547054680.db2.gz XLRZTOPXJKQHAI-AWEZNQCLSA-N 2 2 352.508 0.847 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550659413 547094385 /nfs/dbraw/zinc/09/43/85/547094385.db2.gz QOAIFBOAKPCEAZ-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000550659413 547094388 /nfs/dbraw/zinc/09/43/88/547094388.db2.gz QOAIFBOAKPCEAZ-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000550687154 547097129 /nfs/dbraw/zinc/09/71/29/547097129.db2.gz RQGSDQPSFQUALB-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000550687154 547097134 /nfs/dbraw/zinc/09/71/34/547097134.db2.gz RQGSDQPSFQUALB-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000550689355 547097209 /nfs/dbraw/zinc/09/72/09/547097209.db2.gz PHXNJTWWTLOXMW-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000550689355 547097214 /nfs/dbraw/zinc/09/72/14/547097214.db2.gz PHXNJTWWTLOXMW-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cscn1 ZINC000550727737 547099619 /nfs/dbraw/zinc/09/96/19/547099619.db2.gz FHRLMJYBWWEDDT-UHFFFAOYSA-N 2 2 367.519 0.286 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cscn1 ZINC000550727737 547099623 /nfs/dbraw/zinc/09/96/23/547099623.db2.gz FHRLMJYBWWEDDT-UHFFFAOYSA-N 2 2 367.519 0.286 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000551048347 547122596 /nfs/dbraw/zinc/12/25/96/547122596.db2.gz ALBVOEOZCKKYKH-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000551048347 547122602 /nfs/dbraw/zinc/12/26/02/547122602.db2.gz ALBVOEOZCKKYKH-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)C(C)(C)C ZINC000487225208 547384147 /nfs/dbraw/zinc/38/41/47/547384147.db2.gz CRWSIUQHNOSZQF-MRXNPFEDSA-N 2 2 358.527 0.689 20 0 FCADLP CC1(C)CN(CCCN2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682036243 547393656 /nfs/dbraw/zinc/39/36/56/547393656.db2.gz MOXDWMXPCNNHOG-UHFFFAOYSA-N 2 2 356.555 0.154 20 0 FCADLP CC1(C)CN(CCCN2CC[N@@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC000682036243 547393657 /nfs/dbraw/zinc/39/36/57/547393657.db2.gz MOXDWMXPCNNHOG-UHFFFAOYSA-N 2 2 356.555 0.154 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000163664811 547393993 /nfs/dbraw/zinc/39/39/93/547393993.db2.gz PXQLOWIEBBJJRD-BBWFWOEESA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000163664811 547393997 /nfs/dbraw/zinc/39/39/97/547393997.db2.gz PXQLOWIEBBJJRD-BBWFWOEESA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000163664811 547394001 /nfs/dbraw/zinc/39/40/01/547394001.db2.gz PXQLOWIEBBJJRD-BBWFWOEESA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000163664811 547394007 /nfs/dbraw/zinc/39/40/07/547394007.db2.gz PXQLOWIEBBJJRD-BBWFWOEESA-N 2 2 356.511 0.848 20 0 FCADLP OCCOCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000738394059 598861583 /nfs/dbraw/zinc/86/15/83/598861583.db2.gz OGZSTJXVDQLKNA-UHFFFAOYSA-N 2 2 369.429 0.546 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736471971 598383024 /nfs/dbraw/zinc/38/30/24/598383024.db2.gz LROGZUIHNHOBPD-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736471971 598383025 /nfs/dbraw/zinc/38/30/25/598383025.db2.gz LROGZUIHNHOBPD-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267950 598524520 /nfs/dbraw/zinc/52/45/20/598524520.db2.gz VEYSCJAUXPROLR-RDBSUJKOSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267950 598524521 /nfs/dbraw/zinc/52/45/21/598524521.db2.gz VEYSCJAUXPROLR-RDBSUJKOSA-N 2 2 359.482 0.815 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821621801 599695670 /nfs/dbraw/zinc/69/56/70/599695670.db2.gz GYUQKQICRBEQHP-UHFFFAOYSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245804049 674491635 /nfs/dbraw/zinc/49/16/35/674491635.db2.gz LJIRCMWEMCADNC-RBSFLKMASA-N 2 2 359.536 0.873 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC000826022386 607714508 /nfs/dbraw/zinc/71/45/08/607714508.db2.gz LIUWFVSDXBMVJI-UHFFFAOYSA-N 2 2 358.450 0.483 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822699143 606066845 /nfs/dbraw/zinc/06/68/45/606066845.db2.gz PWNGVWHXZYPSMY-UHFFFAOYSA-N 2 2 354.418 0.801 20 0 FCADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822850443 606079464 /nfs/dbraw/zinc/07/94/64/606079464.db2.gz HQOXIVOEOMZUKP-KGLIPLIRSA-N 2 2 352.402 0.996 20 0 FCADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822850443 606079469 /nfs/dbraw/zinc/07/94/69/606079469.db2.gz HQOXIVOEOMZUKP-KGLIPLIRSA-N 2 2 352.402 0.996 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583274 606885674 /nfs/dbraw/zinc/88/56/74/606885674.db2.gz OPQZIRYTGHHTQK-UHFFFAOYSA-N 2 2 373.461 0.341 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625558 607104075 /nfs/dbraw/zinc/10/40/75/607104075.db2.gz QNZGHVPHJCGWPW-OAGGEKHMSA-N 2 2 355.446 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625558 607104077 /nfs/dbraw/zinc/10/40/77/607104077.db2.gz QNZGHVPHJCGWPW-OAGGEKHMSA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625558 607104078 /nfs/dbraw/zinc/10/40/78/607104078.db2.gz QNZGHVPHJCGWPW-OAGGEKHMSA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625558 607104080 /nfs/dbraw/zinc/10/40/80/607104080.db2.gz QNZGHVPHJCGWPW-OAGGEKHMSA-N 2 2 355.446 0.809 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000825001246 608451377 /nfs/dbraw/zinc/45/13/77/608451377.db2.gz XXLULOYGFGPYEJ-ZIAGYGMSSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000825001246 608451378 /nfs/dbraw/zinc/45/13/78/608451378.db2.gz XXLULOYGFGPYEJ-ZIAGYGMSSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000825001246 608451380 /nfs/dbraw/zinc/45/13/80/608451380.db2.gz XXLULOYGFGPYEJ-ZIAGYGMSSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000825001246 608451382 /nfs/dbraw/zinc/45/13/82/608451382.db2.gz XXLULOYGFGPYEJ-ZIAGYGMSSA-N 2 2 357.466 0.652 20 0 FCADLP CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826021638 609213221 /nfs/dbraw/zinc/21/32/21/609213221.db2.gz BHPOUVIFOHGMLA-CQSZACIVSA-N 2 2 358.450 0.435 20 0 FCADLP CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826021638 609213222 /nfs/dbraw/zinc/21/32/22/609213222.db2.gz BHPOUVIFOHGMLA-CQSZACIVSA-N 2 2 358.450 0.435 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000729605043 665734577 /nfs/dbraw/zinc/73/45/77/665734577.db2.gz HHYUBZQOVQDGGY-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000729605043 665734578 /nfs/dbraw/zinc/73/45/78/665734578.db2.gz HHYUBZQOVQDGGY-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](C[C@H]4CCCO4)C3=O)C2)CC1 ZINC000924633269 665856445 /nfs/dbraw/zinc/85/64/45/665856445.db2.gz HPSINDRJKYTVBY-XHSDSOJGSA-N 2 2 350.463 0.644 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](C[C@H]4CCCO4)C3=O)C2)CC1 ZINC000924633269 665856452 /nfs/dbraw/zinc/85/64/52/665856452.db2.gz HPSINDRJKYTVBY-XHSDSOJGSA-N 2 2 350.463 0.644 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000969429184 663170022 /nfs/dbraw/zinc/17/00/22/663170022.db2.gz MFHYCIAFCURRRC-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000891536097 663412315 /nfs/dbraw/zinc/41/23/15/663412315.db2.gz CMGKSZWKEXURDK-OAHLLOKOSA-N 2 2 360.524 0.279 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000891536695 663413013 /nfs/dbraw/zinc/41/30/13/663413013.db2.gz GGHZRTGZPXUCAB-HNNXBMFYSA-N 2 2 374.551 0.573 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001022231017 663422807 /nfs/dbraw/zinc/42/28/07/663422807.db2.gz OLZPNYAMMDKSHF-XJFOESAGSA-N 2 2 361.471 0.982 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001022231017 663422809 /nfs/dbraw/zinc/42/28/09/663422809.db2.gz OLZPNYAMMDKSHF-XJFOESAGSA-N 2 2 361.471 0.982 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000899991188 665971268 /nfs/dbraw/zinc/97/12/68/665971268.db2.gz CJGYHSYKRSBCKW-UHFFFAOYSA-N 2 2 353.555 0.546 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023452412 663628354 /nfs/dbraw/zinc/62/83/54/663628354.db2.gz ZLQLAAVSXCGEHY-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023452412 663628356 /nfs/dbraw/zinc/62/83/56/663628356.db2.gz ZLQLAAVSXCGEHY-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023452412 663628358 /nfs/dbraw/zinc/62/83/58/663628358.db2.gz ZLQLAAVSXCGEHY-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023452412 663628359 /nfs/dbraw/zinc/62/83/59/663628359.db2.gz ZLQLAAVSXCGEHY-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)C2)c1 ZINC000892608824 664048050 /nfs/dbraw/zinc/04/80/50/664048050.db2.gz IMCFGLIMRMXQND-KRWDZBQOSA-N 2 2 350.463 0.158 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)C2)c1 ZINC000892608824 664048053 /nfs/dbraw/zinc/04/80/53/664048053.db2.gz IMCFGLIMRMXQND-KRWDZBQOSA-N 2 2 350.463 0.158 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000892715496 664122707 /nfs/dbraw/zinc/12/27/07/664122707.db2.gz XLXAMSARSYVHQQ-UHFFFAOYSA-N 2 2 351.472 0.355 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000892758017 664137549 /nfs/dbraw/zinc/13/75/49/664137549.db2.gz XLMZPASWUPOTRG-CVEARBPZSA-N 2 2 352.479 0.261 20 0 FCADLP CC(C)[C@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000123938730 664251438 /nfs/dbraw/zinc/25/14/38/664251438.db2.gz AYTZDBDACVWKSH-SFHVURJKSA-N 2 2 352.479 0.955 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001027966619 664479664 /nfs/dbraw/zinc/47/96/64/664479664.db2.gz SEOHPKANDYFRRA-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001027966619 664479666 /nfs/dbraw/zinc/47/96/66/664479666.db2.gz SEOHPKANDYFRRA-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001027966619 664479668 /nfs/dbraw/zinc/47/96/68/664479668.db2.gz SEOHPKANDYFRRA-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001027966619 664479670 /nfs/dbraw/zinc/47/96/70/664479670.db2.gz SEOHPKANDYFRRA-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000981908583 664847540 /nfs/dbraw/zinc/84/75/40/664847540.db2.gz KOYKMBXMHPGPKZ-SJORKVTESA-N 2 2 351.491 0.811 20 0 FCADLP CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000981908583 664847545 /nfs/dbraw/zinc/84/75/45/664847545.db2.gz KOYKMBXMHPGPKZ-SJORKVTESA-N 2 2 351.491 0.811 20 0 FCADLP CC(C)[C@@H](C[NH2+]Cc1nc(Br)nn1C)N1CC[NH+](C)CC1 ZINC000894167661 664903410 /nfs/dbraw/zinc/90/34/10/664903410.db2.gz LMGUUOGBEAQKTR-GFCCVEGCSA-N 2 2 359.316 0.939 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984016113 665014057 /nfs/dbraw/zinc/01/40/57/665014057.db2.gz RIMBMQCCPXWRGT-OKNSCYNVSA-N 2 2 350.467 0.378 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984016113 665014061 /nfs/dbraw/zinc/01/40/61/665014061.db2.gz RIMBMQCCPXWRGT-OKNSCYNVSA-N 2 2 350.467 0.378 20 0 FCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685984 665054949 /nfs/dbraw/zinc/05/49/49/665054949.db2.gz PDDPISWGIYSSDM-SQNIBIBYSA-N 2 2 352.523 0.820 20 0 FCADLP Cc1nonc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985492673 665171334 /nfs/dbraw/zinc/17/13/34/665171334.db2.gz PONPXGCGMIVYIP-MLGOLLRUSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nonc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985492673 665171335 /nfs/dbraw/zinc/17/13/35/665171335.db2.gz PONPXGCGMIVYIP-MLGOLLRUSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nonc1C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985492673 665171337 /nfs/dbraw/zinc/17/13/37/665171337.db2.gz PONPXGCGMIVYIP-MLGOLLRUSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nonc1C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985492673 665171338 /nfs/dbraw/zinc/17/13/38/665171338.db2.gz PONPXGCGMIVYIP-MLGOLLRUSA-N 2 2 351.451 0.520 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000905362826 666021605 /nfs/dbraw/zinc/02/16/05/666021605.db2.gz VJWVIRPTRGJUBY-DLBZAZTESA-N 2 2 353.488 0.384 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000907518058 666141646 /nfs/dbraw/zinc/14/16/46/666141646.db2.gz MBKPZXOIJPXPKM-HRCADAONSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000907518058 666141648 /nfs/dbraw/zinc/14/16/48/666141648.db2.gz MBKPZXOIJPXPKM-HRCADAONSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000907518058 666141651 /nfs/dbraw/zinc/14/16/51/666141651.db2.gz MBKPZXOIJPXPKM-HRCADAONSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000907518058 666141652 /nfs/dbraw/zinc/14/16/52/666141652.db2.gz MBKPZXOIJPXPKM-HRCADAONSA-N 2 2 355.479 0.175 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000907612992 666149663 /nfs/dbraw/zinc/14/96/63/666149663.db2.gz KRJJTHGAXZGUEK-UHFFFAOYSA-N 2 2 350.463 0.272 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000907612992 666149665 /nfs/dbraw/zinc/14/96/65/666149665.db2.gz KRJJTHGAXZGUEK-UHFFFAOYSA-N 2 2 350.463 0.272 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000911003139 666304634 /nfs/dbraw/zinc/30/46/34/666304634.db2.gz PUVKOKWQYSBCIE-CYBMUJFWSA-N 2 2 350.488 0.420 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000911003139 666304637 /nfs/dbraw/zinc/30/46/37/666304637.db2.gz PUVKOKWQYSBCIE-CYBMUJFWSA-N 2 2 350.488 0.420 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000911065437 666309161 /nfs/dbraw/zinc/30/91/61/666309161.db2.gz CEEAFNGPJBOSRY-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069469182 666514045 /nfs/dbraw/zinc/51/40/45/666514045.db2.gz ABHFPVVKJJZTRF-OAHLLOKOSA-N 2 2 360.524 0.231 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)[C@@H]4CSCCN4C3=O)CC2)CC1 ZINC000349354474 666548340 /nfs/dbraw/zinc/54/83/40/666548340.db2.gz ZJZVLCDXLVAZKF-HNNXBMFYSA-N 2 2 352.504 0.925 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000171757965 666597718 /nfs/dbraw/zinc/59/77/18/666597718.db2.gz JIBNZTKYBBDHCZ-UHFFFAOYSA-N 2 2 374.551 0.671 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961309972 674753659 /nfs/dbraw/zinc/75/36/59/674753659.db2.gz FFYGYQLHYWLVRU-NRKLIOEPSA-N 2 2 355.454 0.272 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961309972 674753662 /nfs/dbraw/zinc/75/36/62/674753662.db2.gz FFYGYQLHYWLVRU-NRKLIOEPSA-N 2 2 355.454 0.272 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000913920019 666668183 /nfs/dbraw/zinc/66/81/83/666668183.db2.gz FMRGRPUIHKFSSL-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920019 666668184 /nfs/dbraw/zinc/66/81/84/666668184.db2.gz FMRGRPUIHKFSSL-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000731684007 666831170 /nfs/dbraw/zinc/83/11/70/666831170.db2.gz NFQXYMZURZLQOT-CVEARBPZSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000731684007 666831175 /nfs/dbraw/zinc/83/11/75/666831175.db2.gz NFQXYMZURZLQOT-CVEARBPZSA-N 2 2 372.535 0.421 20 0 FCADLP COC[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915500339 666873184 /nfs/dbraw/zinc/87/31/84/666873184.db2.gz KFTUTVBQLKYJSX-QGZVFWFLSA-N 2 2 354.495 0.602 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959626 666897257 /nfs/dbraw/zinc/89/72/57/666897257.db2.gz QTKAYNDRACBERD-KCPJHIHWSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959626 666897260 /nfs/dbraw/zinc/89/72/60/666897260.db2.gz QTKAYNDRACBERD-KCPJHIHWSA-N 2 2 351.451 0.424 20 0 FCADLP CCCC1N=NC(=S)N1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732779189 666899572 /nfs/dbraw/zinc/89/95/72/666899572.db2.gz AAFCRRZYHVAWTQ-CYBMUJFWSA-N 2 2 366.535 0.804 20 0 FCADLP CCCC1N=NC(=S)N1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732779189 666899576 /nfs/dbraw/zinc/89/95/76/666899576.db2.gz AAFCRRZYHVAWTQ-CYBMUJFWSA-N 2 2 366.535 0.804 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734268096 666959715 /nfs/dbraw/zinc/95/97/15/666959715.db2.gz HXPLTFZQNGDVPQ-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906323 667140344 /nfs/dbraw/zinc/14/03/44/667140344.db2.gz MZSJTZIJEYKWHL-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906323 667140346 /nfs/dbraw/zinc/14/03/46/667140346.db2.gz MZSJTZIJEYKWHL-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001003356258 667606825 /nfs/dbraw/zinc/60/68/25/667606825.db2.gz KQRVLJWCYLDEJI-SJORKVTESA-N 2 2 357.470 0.806 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnnn3C)C2)O1 ZINC001034274670 667752241 /nfs/dbraw/zinc/75/22/41/667752241.db2.gz UPLVEOPSICHWDY-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnnn3C)C2)O1 ZINC001034274670 667752242 /nfs/dbraw/zinc/75/22/42/667752242.db2.gz UPLVEOPSICHWDY-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cnnn3C)C2)O1 ZINC001034274670 667752243 /nfs/dbraw/zinc/75/22/43/667752243.db2.gz UPLVEOPSICHWDY-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnnn3C)C2)O1 ZINC001034274670 667752246 /nfs/dbraw/zinc/75/22/46/667752246.db2.gz UPLVEOPSICHWDY-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923331781 667826398 /nfs/dbraw/zinc/82/63/98/667826398.db2.gz GCLCGQSBXHEKBM-HZPDHXFCSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923331781 667826401 /nfs/dbraw/zinc/82/64/01/667826401.db2.gz GCLCGQSBXHEKBM-HZPDHXFCSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923331779 667826618 /nfs/dbraw/zinc/82/66/18/667826618.db2.gz GCLCGQSBXHEKBM-HOTGVXAUSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923331779 667826624 /nfs/dbraw/zinc/82/66/24/667826624.db2.gz GCLCGQSBXHEKBM-HOTGVXAUSA-N 2 2 351.422 0.462 20 0 FCADLP Cc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000961992647 674853264 /nfs/dbraw/zinc/85/32/64/674853264.db2.gz XNEUBRCVWDQTAM-WKIYYKSKSA-N 2 2 353.492 0.550 20 0 FCADLP Cc1nnc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000961992647 674853268 /nfs/dbraw/zinc/85/32/68/674853268.db2.gz XNEUBRCVWDQTAM-WKIYYKSKSA-N 2 2 353.492 0.550 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742608583 668038395 /nfs/dbraw/zinc/03/83/95/668038395.db2.gz FTQZBEZSWZSHJP-STQMWFEESA-N 2 2 355.508 0.417 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742608583 668038398 /nfs/dbraw/zinc/03/83/98/668038398.db2.gz FTQZBEZSWZSHJP-STQMWFEESA-N 2 2 355.508 0.417 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@H]1CCC=CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000774978833 668189429 /nfs/dbraw/zinc/18/94/29/668189429.db2.gz NVHFDXKZAIRHFF-MRXNPFEDSA-N 2 2 366.487 0.816 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000772208565 668293963 /nfs/dbraw/zinc/29/39/63/668293963.db2.gz IXCSTRUBUDJGIX-GJZGRUSLSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000772208565 668293967 /nfs/dbraw/zinc/29/39/67/668293967.db2.gz IXCSTRUBUDJGIX-GJZGRUSLSA-N 2 2 354.495 0.996 20 0 FCADLP O=C(OCC[NH+]1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785657725 668723265 /nfs/dbraw/zinc/72/32/65/668723265.db2.gz BLDSHEDVBHCBHV-INIZCTEOSA-N 2 2 353.463 0.196 20 0 FCADLP O=C1NC2(CO1)CC[NH+](CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790382614 668875972 /nfs/dbraw/zinc/87/59/72/668875972.db2.gz GLAJHLAAXFSQGE-QGZVFWFLSA-N 2 2 350.419 0.435 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000819078508 668976886 /nfs/dbraw/zinc/97/68/86/668976886.db2.gz WWHUFXJXMZKMGV-CRAIPNDOSA-N 2 2 355.429 0.994 20 0 FCADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000820805283 669130500 /nfs/dbraw/zinc/13/05/00/669130500.db2.gz HUPPQPSONUNATF-CYBMUJFWSA-N 2 2 350.444 0.883 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000798409124 669235787 /nfs/dbraw/zinc/23/57/87/669235787.db2.gz IVZMNEFMOKQXCY-UHFFFAOYSA-N 2 2 374.551 0.623 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806210374 669399255 /nfs/dbraw/zinc/39/92/55/669399255.db2.gz OGJXMPNUNQSCCW-UONOGXRCSA-N 2 2 356.536 0.529 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806210374 669399258 /nfs/dbraw/zinc/39/92/58/669399258.db2.gz OGJXMPNUNQSCCW-UONOGXRCSA-N 2 2 356.536 0.529 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985909 671164857 /nfs/dbraw/zinc/16/48/57/671164857.db2.gz WGGVYDAOGQRMKU-PMPSAXMXSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985909 671164858 /nfs/dbraw/zinc/16/48/58/671164858.db2.gz WGGVYDAOGQRMKU-PMPSAXMXSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985909 671164859 /nfs/dbraw/zinc/16/48/59/671164859.db2.gz WGGVYDAOGQRMKU-PMPSAXMXSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985909 671164860 /nfs/dbraw/zinc/16/48/60/671164860.db2.gz WGGVYDAOGQRMKU-PMPSAXMXSA-N 2 2 357.495 0.867 20 0 FCADLP CCO/C=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000847450875 671194144 /nfs/dbraw/zinc/19/41/44/671194144.db2.gz GFOHHASHOZQQNZ-VGOFMYFVSA-N 2 2 352.479 0.233 20 0 FCADLP CC[C@@H](CN1CCOCC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000903341989 675926845 /nfs/dbraw/zinc/92/68/45/675926845.db2.gz AIILEWGMSIBSDY-SFHVURJKSA-N 2 2 354.539 0.483 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CCC4CC4)C3)O2)O1 ZINC001053617974 675996428 /nfs/dbraw/zinc/99/64/28/675996428.db2.gz LRQOCXQJOYOAJF-DJIMGWMZSA-N 2 2 351.491 0.855 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CCC4CC4)C3)O2)O1 ZINC001053617974 675996430 /nfs/dbraw/zinc/99/64/30/675996430.db2.gz LRQOCXQJOYOAJF-DJIMGWMZSA-N 2 2 351.491 0.855 20 0 FCADLP Cc1nnsc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000837648 676061047 /nfs/dbraw/zinc/06/10/47/676061047.db2.gz PAXFSWYOLNTHGN-IUODEOHRSA-N 2 2 365.503 0.814 20 0 FCADLP Cc1nnsc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000837648 676061049 /nfs/dbraw/zinc/06/10/49/676061049.db2.gz PAXFSWYOLNTHGN-IUODEOHRSA-N 2 2 365.503 0.814 20 0 FCADLP Cc1nnsc1C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000837648 676061052 /nfs/dbraw/zinc/06/10/52/676061052.db2.gz PAXFSWYOLNTHGN-IUODEOHRSA-N 2 2 365.503 0.814 20 0 FCADLP Cc1nnsc1C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000837648 676061055 /nfs/dbraw/zinc/06/10/55/676061055.db2.gz PAXFSWYOLNTHGN-IUODEOHRSA-N 2 2 365.503 0.814 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000875056866 672825261 /nfs/dbraw/zinc/82/52/61/672825261.db2.gz UMYZTWAFOXFTGQ-KRWDZBQOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000875056866 672825266 /nfs/dbraw/zinc/82/52/66/672825266.db2.gz UMYZTWAFOXFTGQ-KRWDZBQOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000875429361 672881714 /nfs/dbraw/zinc/88/17/14/672881714.db2.gz JZRHQIUIIPGSMA-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000875429361 672881719 /nfs/dbraw/zinc/88/17/19/672881719.db2.gz JZRHQIUIIPGSMA-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP Cc1nonc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001532091 676075532 /nfs/dbraw/zinc/07/55/32/676075532.db2.gz KHMHFFQDLHOBAK-MLGOLLRUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001532091 676075534 /nfs/dbraw/zinc/07/55/34/676075534.db2.gz KHMHFFQDLHOBAK-MLGOLLRUSA-N 2 2 351.451 0.425 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197498 673046473 /nfs/dbraw/zinc/04/64/73/673046473.db2.gz GCUXPVLHJWWDFC-IAGOWNOFSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197498 673046476 /nfs/dbraw/zinc/04/64/76/673046476.db2.gz GCUXPVLHJWWDFC-IAGOWNOFSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197497 673046850 /nfs/dbraw/zinc/04/68/50/673046850.db2.gz GCUXPVLHJWWDFC-DLBZAZTESA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197497 673046853 /nfs/dbraw/zinc/04/68/53/673046853.db2.gz GCUXPVLHJWWDFC-DLBZAZTESA-N 2 2 351.491 0.811 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292833 673053485 /nfs/dbraw/zinc/05/34/85/673053485.db2.gz RJQLZQLGLSQRKN-SJORKVTESA-N 2 2 351.491 0.986 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292833 673053491 /nfs/dbraw/zinc/05/34/91/673053491.db2.gz RJQLZQLGLSQRKN-SJORKVTESA-N 2 2 351.491 0.986 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248568 673107427 /nfs/dbraw/zinc/10/74/27/673107427.db2.gz PPQGMWDSWSWOEC-GJZGRUSLSA-N 2 2 357.520 0.486 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000879354821 673114150 /nfs/dbraw/zinc/11/41/50/673114150.db2.gz OXGBDPOEWJOACL-HNNXBMFYSA-N 2 2 354.495 0.949 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000879354821 673114152 /nfs/dbraw/zinc/11/41/52/673114152.db2.gz OXGBDPOEWJOACL-HNNXBMFYSA-N 2 2 354.495 0.949 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001051681591 676108806 /nfs/dbraw/zinc/10/88/06/676108806.db2.gz YSANVBKSPFVRBS-VHDGCEQUSA-N 2 2 354.476 0.179 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001051681591 676108809 /nfs/dbraw/zinc/10/88/09/676108809.db2.gz YSANVBKSPFVRBS-VHDGCEQUSA-N 2 2 354.476 0.179 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051625281 676107233 /nfs/dbraw/zinc/10/72/33/676107233.db2.gz YLGQDMOJJDXYNN-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051625281 676107234 /nfs/dbraw/zinc/10/72/34/676107234.db2.gz YLGQDMOJJDXYNN-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000883472672 673378072 /nfs/dbraw/zinc/37/80/72/673378072.db2.gz GZJFIDMVGVKZFM-NVXWUHKLSA-N 2 2 353.488 0.683 20 0 FCADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883484504 673379421 /nfs/dbraw/zinc/37/94/21/673379421.db2.gz UCICUTFJVNYDQN-HZPDHXFCSA-N 2 2 350.444 0.532 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884527852 673460146 /nfs/dbraw/zinc/46/01/46/673460146.db2.gz AUGUNWJATPXXDK-GFCCVEGCSA-N 2 2 351.357 0.312 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000884977398 673495623 /nfs/dbraw/zinc/49/56/23/673495623.db2.gz QYXIFWQNAZYIHJ-CQSZACIVSA-N 2 2 363.487 0.071 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000885285336 673512315 /nfs/dbraw/zinc/51/23/15/673512315.db2.gz JPXGTKLIBSEHNT-RYUDHWBXSA-N 2 2 355.389 0.477 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428974 673584161 /nfs/dbraw/zinc/58/41/61/673584161.db2.gz PLNPRPBKUSAONV-CRAIPNDOSA-N 2 2 357.495 0.793 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428974 673584163 /nfs/dbraw/zinc/58/41/63/673584163.db2.gz PLNPRPBKUSAONV-CRAIPNDOSA-N 2 2 357.495 0.793 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)ccc2[nH+]1 ZINC000887035358 673616231 /nfs/dbraw/zinc/61/62/31/673616231.db2.gz MFFGJGGXVYUUFM-LLVKDONJSA-N 2 2 351.357 0.942 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+]1CCO[C@H](CC)C1 ZINC000889755606 673685877 /nfs/dbraw/zinc/68/58/77/673685877.db2.gz JDURBTOIIJWSMP-TVFCKZIOSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@H+]1CCO[C@H](CC)C1 ZINC000889755606 673685878 /nfs/dbraw/zinc/68/58/78/673685878.db2.gz JDURBTOIIJWSMP-TVFCKZIOSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCO[C@H](CC)C1 ZINC000889755606 673685882 /nfs/dbraw/zinc/68/58/82/673685882.db2.gz JDURBTOIIJWSMP-TVFCKZIOSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[N@@H+]1CCO[C@H](CC)C1 ZINC000889755605 673685949 /nfs/dbraw/zinc/68/59/49/673685949.db2.gz JDURBTOIIJWSMP-BRSBDYLESA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)[N@H+]1CCO[C@H](CC)C1 ZINC000889755605 673685950 /nfs/dbraw/zinc/68/59/50/673685950.db2.gz JDURBTOIIJWSMP-BRSBDYLESA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCO[C@H](CC)C1 ZINC000889755605 673685951 /nfs/dbraw/zinc/68/59/51/673685951.db2.gz JDURBTOIIJWSMP-BRSBDYLESA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000925589530 673794631 /nfs/dbraw/zinc/79/46/31/673794631.db2.gz JNQREQASBYZWPY-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000925598755 673796122 /nfs/dbraw/zinc/79/61/22/673796122.db2.gz UPMWSEXMKRNCSE-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000925598755 673796123 /nfs/dbraw/zinc/79/61/23/673796123.db2.gz UPMWSEXMKRNCSE-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925600947 673796134 /nfs/dbraw/zinc/79/61/34/673796134.db2.gz XZPISPZEFXAMNH-HNNXBMFYSA-N 2 2 356.467 0.082 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634007 673871896 /nfs/dbraw/zinc/87/18/96/673871896.db2.gz QXISGJHVFJGPNP-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634007 673871899 /nfs/dbraw/zinc/87/18/99/673871899.db2.gz QXISGJHVFJGPNP-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634007 673871900 /nfs/dbraw/zinc/87/19/00/673871900.db2.gz QXISGJHVFJGPNP-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634007 673871902 /nfs/dbraw/zinc/87/19/02/673871902.db2.gz QXISGJHVFJGPNP-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP COCc1nc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC000969071867 675268401 /nfs/dbraw/zinc/26/84/01/675268401.db2.gz KKZHUZXSEDLUMJ-UMVBOHGHSA-N 2 2 368.503 0.699 20 0 FCADLP COCc1nc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC000969071867 675268402 /nfs/dbraw/zinc/26/84/02/675268402.db2.gz KKZHUZXSEDLUMJ-UMVBOHGHSA-N 2 2 368.503 0.699 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCCCC3)C2)CC[N@@H+]1C ZINC001014492871 675391541 /nfs/dbraw/zinc/39/15/41/675391541.db2.gz NFDXDJGLMQOTBH-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCCCC3)C2)CC[N@H+]1C ZINC001014492871 675391543 /nfs/dbraw/zinc/39/15/43/675391543.db2.gz NFDXDJGLMQOTBH-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C2)CC[NH+]1C ZINC001014492871 675391544 /nfs/dbraw/zinc/39/15/44/675391544.db2.gz NFDXDJGLMQOTBH-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C2)CC[NH+]1C ZINC001014492871 675391546 /nfs/dbraw/zinc/39/15/46/675391546.db2.gz NFDXDJGLMQOTBH-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001018869813 675417871 /nfs/dbraw/zinc/41/78/71/675417871.db2.gz CBPODESGZHLQEY-MELADBBJSA-N 2 2 350.467 0.556 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001018869813 675417873 /nfs/dbraw/zinc/41/78/73/675417873.db2.gz CBPODESGZHLQEY-MELADBBJSA-N 2 2 350.467 0.556 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001018870983 675417966 /nfs/dbraw/zinc/41/79/66/675417966.db2.gz UKQGDMDVTJBKDL-MELADBBJSA-N 2 2 351.451 0.637 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001018870983 675417967 /nfs/dbraw/zinc/41/79/67/675417967.db2.gz UKQGDMDVTJBKDL-MELADBBJSA-N 2 2 351.451 0.637 20 0 FCADLP CCCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001019032057 675419946 /nfs/dbraw/zinc/41/99/46/675419946.db2.gz CNSMNZHXTDVLSK-HZSPNIEDSA-N 2 2 367.519 0.900 20 0 FCADLP CCCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001019032057 675419947 /nfs/dbraw/zinc/41/99/47/675419947.db2.gz CNSMNZHXTDVLSK-HZSPNIEDSA-N 2 2 367.519 0.900 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020256750 675438755 /nfs/dbraw/zinc/43/87/55/675438755.db2.gz AUWATTSJVSFGII-BTFPBAQTSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020256750 675438757 /nfs/dbraw/zinc/43/87/57/675438757.db2.gz AUWATTSJVSFGII-BTFPBAQTSA-N 2 2 366.487 0.575 20 0 FCADLP CCOc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001020288919 675439827 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C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C(=O)NC1CC1 ZINC001691114970 1170827526 /nfs/dbraw/zinc/82/75/26/1170827526.db2.gz YVLRXOVZFUVFFK-HUHANWACSA-N 2 2 359.474 0.675 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001083224913 1170840781 /nfs/dbraw/zinc/84/07/81/1170840781.db2.gz WQAYVHRJJVQQSF-OKZBNKHCSA-N 2 2 367.490 0.189 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001083224913 1170840782 /nfs/dbraw/zinc/84/07/82/1170840782.db2.gz WQAYVHRJJVQQSF-OKZBNKHCSA-N 2 2 367.490 0.189 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001022314850 1170849464 /nfs/dbraw/zinc/84/94/64/1170849464.db2.gz OJTJWZQVOKJXJQ-UKPHBRMFSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21 ZINC001022314850 1170849465 /nfs/dbraw/zinc/84/94/65/1170849465.db2.gz OJTJWZQVOKJXJQ-UKPHBRMFSA-N 2 2 359.474 0.662 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087173503 1170859836 /nfs/dbraw/zinc/85/98/36/1170859836.db2.gz CGKQHKCAKUGJFS-VHDGCEQUSA-N 2 2 361.446 0.364 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087173503 1170859837 /nfs/dbraw/zinc/85/98/37/1170859837.db2.gz CGKQHKCAKUGJFS-VHDGCEQUSA-N 2 2 361.446 0.364 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691226510 1170871276 /nfs/dbraw/zinc/87/12/76/1170871276.db2.gz SWFAOAGSLDSION-ZENOOKHLSA-N 2 2 362.478 0.411 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691226510 1170871280 /nfs/dbraw/zinc/87/12/80/1170871280.db2.gz SWFAOAGSLDSION-ZENOOKHLSA-N 2 2 362.478 0.411 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000154319036 1171007747 /nfs/dbraw/zinc/00/77/47/1171007747.db2.gz SCUDTRJYVMEZEQ-OAHLLOKOSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000154319036 1171007757 /nfs/dbraw/zinc/00/77/57/1171007757.db2.gz SCUDTRJYVMEZEQ-OAHLLOKOSA-N 2 2 360.462 0.056 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001691283487 1171030740 /nfs/dbraw/zinc/03/07/40/1171030740.db2.gz COTLNDHTDHCJGZ-RRQGHBQHSA-N 2 2 360.462 0.315 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000153918913 1171053780 /nfs/dbraw/zinc/05/37/80/1171053780.db2.gz AXYGCGNNTLSSEM-HOTGVXAUSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001087183524 1171064786 /nfs/dbraw/zinc/06/47/86/1171064786.db2.gz UYUUUMRGIVLMQS-INMHGKMJSA-N 2 2 371.489 0.991 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691360522 1171207919 /nfs/dbraw/zinc/20/79/19/1171207919.db2.gz BWIMYXBMEIGPOY-VYDXJSESSA-N 2 2 361.490 0.798 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022523808 1171359203 /nfs/dbraw/zinc/35/92/03/1171359203.db2.gz ILTJSWSFIHKBGR-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022523808 1171359210 /nfs/dbraw/zinc/35/92/10/1171359210.db2.gz ILTJSWSFIHKBGR-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000988773586 1192464273 /nfs/dbraw/zinc/46/42/73/1192464273.db2.gz IWOFRRIQPFYZRY-UWWQBHOKSA-N 2 2 359.474 0.863 20 0 FCADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892187233 1171711546 /nfs/dbraw/zinc/71/15/46/1171711546.db2.gz JTFNATMKXADCBI-GVDBMIGSSA-N 2 2 358.490 0.734 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC000972236851 1171874446 /nfs/dbraw/zinc/87/44/46/1171874446.db2.gz JCDBRZDBJDOAIS-HLLBOEOZSA-N 2 2 367.453 0.959 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4cccc5[nH+]ccn54)C[C@H]32)C1 ZINC000972236851 1171874448 /nfs/dbraw/zinc/87/44/48/1171874448.db2.gz JCDBRZDBJDOAIS-HLLBOEOZSA-N 2 2 367.453 0.959 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC000972254009 1171890566 /nfs/dbraw/zinc/89/05/66/1171890566.db2.gz TZJKJSYTYXERLW-BRWVUGGUSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972310389 1171952234 /nfs/dbraw/zinc/95/22/34/1171952234.db2.gz AQRHDRWTJIPSHR-JFIYKMOQSA-N 2 2 371.485 0.662 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001087219856 1171967123 /nfs/dbraw/zinc/96/71/23/1171967123.db2.gz SADVDHBVOXTGCQ-KBMXLJTQSA-N 2 2 357.462 0.948 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248236 1172003282 /nfs/dbraw/zinc/00/32/82/1172003282.db2.gz XWEJIUFRJRJXEG-JCGIZDLHSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248236 1172003292 /nfs/dbraw/zinc/00/32/92/1172003292.db2.gz XWEJIUFRJRJXEG-JCGIZDLHSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248236 1172003295 /nfs/dbraw/zinc/00/32/95/1172003295.db2.gz XWEJIUFRJRJXEG-JCGIZDLHSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248236 1172003305 /nfs/dbraw/zinc/00/33/05/1172003305.db2.gz XWEJIUFRJRJXEG-JCGIZDLHSA-N 2 2 362.474 0.990 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)ncn1 ZINC001083249817 1172029316 /nfs/dbraw/zinc/02/93/16/1172029316.db2.gz YGAGQOJUUNUJEU-DLBZAZTESA-N 2 2 357.458 0.292 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)ncn1 ZINC001083249817 1172029325 /nfs/dbraw/zinc/02/93/25/1172029325.db2.gz YGAGQOJUUNUJEU-DLBZAZTESA-N 2 2 357.458 0.292 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000989066183 1192669926 /nfs/dbraw/zinc/66/99/26/1192669926.db2.gz WUKBQWTXRKBJHY-TUVASFSCSA-N 2 2 357.458 0.715 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000989066183 1192669930 /nfs/dbraw/zinc/66/99/30/1192669930.db2.gz WUKBQWTXRKBJHY-TUVASFSCSA-N 2 2 357.458 0.715 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000897550435 1192793918 /nfs/dbraw/zinc/79/39/18/1192793918.db2.gz KGGDOMAOSCLIET-KRWDZBQOSA-N 2 2 355.442 0.951 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000897550435 1192793924 /nfs/dbraw/zinc/79/39/24/1192793924.db2.gz KGGDOMAOSCLIET-KRWDZBQOSA-N 2 2 355.442 0.951 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)CC2)C1=O ZINC000897756587 1192844894 /nfs/dbraw/zinc/84/48/94/1192844894.db2.gz OADMEOBPEJYIEW-SJORKVTESA-N 2 2 374.489 0.601 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)CC2)C1=O ZINC000897756587 1192844896 /nfs/dbraw/zinc/84/48/96/1192844896.db2.gz OADMEOBPEJYIEW-SJORKVTESA-N 2 2 374.489 0.601 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000842050415 1192863642 /nfs/dbraw/zinc/86/36/42/1192863642.db2.gz BFTOHYNGJRLVER-UHFFFAOYSA-N 2 2 366.465 0.936 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000842050574 1192863748 /nfs/dbraw/zinc/86/37/48/1192863748.db2.gz FAJLMJLYVXYRRS-UHFFFAOYSA-N 2 2 356.470 0.721 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC000842056601 1192864893 /nfs/dbraw/zinc/86/48/93/1192864893.db2.gz AFAUVKBUXIXRLP-LJQANCHMSA-N 2 2 355.442 0.994 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC001075943280 1192867765 /nfs/dbraw/zinc/86/77/65/1192867765.db2.gz JXUNPZIDUMLPRT-WTLGNFPFSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC001075943280 1192867766 /nfs/dbraw/zinc/86/77/66/1192867766.db2.gz JXUNPZIDUMLPRT-WTLGNFPFSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC001075943280 1192867769 /nfs/dbraw/zinc/86/77/69/1192867769.db2.gz JXUNPZIDUMLPRT-WTLGNFPFSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)c1 ZINC001075943280 1192867771 /nfs/dbraw/zinc/86/77/71/1192867771.db2.gz JXUNPZIDUMLPRT-WTLGNFPFSA-N 2 2 374.485 0.842 20 0 FCADLP CCOCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001691548770 1192869563 /nfs/dbraw/zinc/86/95/63/1192869563.db2.gz XNNHLPIZYXKVAJ-OTWHNJEPSA-N 2 2 361.486 0.938 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001691548770 1192869564 /nfs/dbraw/zinc/86/95/64/1192869564.db2.gz XNNHLPIZYXKVAJ-OTWHNJEPSA-N 2 2 361.486 0.938 20 0 FCADLP CCOCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001691548770 1192869565 /nfs/dbraw/zinc/86/95/65/1192869565.db2.gz XNNHLPIZYXKVAJ-OTWHNJEPSA-N 2 2 361.486 0.938 20 0 FCADLP CCOCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001691548770 1192869566 /nfs/dbraw/zinc/86/95/66/1192869566.db2.gz XNNHLPIZYXKVAJ-OTWHNJEPSA-N 2 2 361.486 0.938 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)n1 ZINC001691570694 1192887286 /nfs/dbraw/zinc/88/72/86/1192887286.db2.gz OSPMECAEVMGORW-CVEARBPZSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@@H]3C2)n1 ZINC001691570694 1192887287 /nfs/dbraw/zinc/88/72/87/1192887287.db2.gz OSPMECAEVMGORW-CVEARBPZSA-N 2 2 360.506 0.920 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)C[NH+](CC)CC)CC2)nc[nH+]1 ZINC000892329578 1178885429 /nfs/dbraw/zinc/88/54/29/1178885429.db2.gz BBYNLBUYGRBPEL-OAHLLOKOSA-N 2 2 364.494 0.650 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC001087236468 1179062124 /nfs/dbraw/zinc/06/21/24/1179062124.db2.gz WPVVUJASFQBQLE-ZBFHGGJFSA-N 2 2 359.478 0.991 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000545175816 1179366538 /nfs/dbraw/zinc/36/65/38/1179366538.db2.gz XMSHUJRKUWSRAU-HKUYNNGSSA-N 2 2 362.474 0.253 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000545175816 1179366549 /nfs/dbraw/zinc/36/65/49/1179366549.db2.gz XMSHUJRKUWSRAU-HKUYNNGSSA-N 2 2 362.474 0.253 20 0 FCADLP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000545175816 1179366557 /nfs/dbraw/zinc/36/65/57/1179366557.db2.gz XMSHUJRKUWSRAU-HKUYNNGSSA-N 2 2 362.474 0.253 20 0 FCADLP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000545175816 1179366567 /nfs/dbraw/zinc/36/65/67/1179366567.db2.gz XMSHUJRKUWSRAU-HKUYNNGSSA-N 2 2 362.474 0.253 20 0 FCADLP CCc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023451348 1179758217 /nfs/dbraw/zinc/75/82/17/1179758217.db2.gz OXJGZJSWQSATAV-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023451348 1179758225 /nfs/dbraw/zinc/75/82/25/1179758225.db2.gz OXJGZJSWQSATAV-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451348 1179758230 /nfs/dbraw/zinc/75/82/30/1179758230.db2.gz OXJGZJSWQSATAV-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451348 1179758234 /nfs/dbraw/zinc/75/82/34/1179758234.db2.gz OXJGZJSWQSATAV-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023451347 1179759351 /nfs/dbraw/zinc/75/93/51/1179759351.db2.gz OXJGZJSWQSATAV-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023451347 1179759357 /nfs/dbraw/zinc/75/93/57/1179759357.db2.gz OXJGZJSWQSATAV-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451347 1179759365 /nfs/dbraw/zinc/75/93/65/1179759365.db2.gz OXJGZJSWQSATAV-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023451347 1179759375 /nfs/dbraw/zinc/75/93/75/1179759375.db2.gz OXJGZJSWQSATAV-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023601769 1179913322 /nfs/dbraw/zinc/91/33/22/1179913322.db2.gz STTHLNNWXSITED-ARFHVFGLSA-N 2 2 357.462 0.644 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023601769 1179913335 /nfs/dbraw/zinc/91/33/35/1179913335.db2.gz STTHLNNWXSITED-ARFHVFGLSA-N 2 2 357.462 0.644 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001691466243 1180094507 /nfs/dbraw/zinc/09/45/07/1180094507.db2.gz ZQIQVVCPZQMHNC-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001691466243 1180094516 /nfs/dbraw/zinc/09/45/16/1180094516.db2.gz ZQIQVVCPZQMHNC-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(=O)NC(C)(C)C ZINC001691466243 1180094525 /nfs/dbraw/zinc/09/45/25/1180094525.db2.gz ZQIQVVCPZQMHNC-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(=O)NC(C)(C)C ZINC001691466243 1180094530 /nfs/dbraw/zinc/09/45/30/1180094530.db2.gz ZQIQVVCPZQMHNC-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001691477982 1180165861 /nfs/dbraw/zinc/16/58/61/1180165861.db2.gz MNOGWVSWVFBNAQ-JKSUJKDBSA-N 2 2 361.490 0.867 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1CC ZINC001691477982 1180165872 /nfs/dbraw/zinc/16/58/72/1180165872.db2.gz MNOGWVSWVFBNAQ-JKSUJKDBSA-N 2 2 361.490 0.867 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC001023783214 1180301415 /nfs/dbraw/zinc/30/14/15/1180301415.db2.gz FQSHWCYRZNTIFF-ARFHVFGLSA-N 2 2 360.458 0.260 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC001023783214 1180301429 /nfs/dbraw/zinc/30/14/29/1180301429.db2.gz FQSHWCYRZNTIFF-ARFHVFGLSA-N 2 2 360.458 0.260 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000076019891 1180323339 /nfs/dbraw/zinc/32/33/39/1180323339.db2.gz IZXLVISNTCPUHJ-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000076019891 1180323350 /nfs/dbraw/zinc/32/33/50/1180323350.db2.gz IZXLVISNTCPUHJ-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP COC1CC[NH+](CCNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000080066412 1180399115 /nfs/dbraw/zinc/39/91/15/1180399115.db2.gz UHBMHEFZUQYDET-GOSISDBHSA-N 2 2 369.554 0.668 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024035711 1180805176 /nfs/dbraw/zinc/80/51/76/1180805176.db2.gz AAOLFOMDGKEMNY-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024035711 1180805177 /nfs/dbraw/zinc/80/51/77/1180805177.db2.gz AAOLFOMDGKEMNY-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039221 1180806493 /nfs/dbraw/zinc/80/64/93/1180806493.db2.gz ROJNKDQFXKNXHF-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039221 1180806495 /nfs/dbraw/zinc/80/64/95/1180806495.db2.gz ROJNKDQFXKNXHF-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CN(CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[NH+]1CCCC1 ZINC001067466907 1180826766 /nfs/dbraw/zinc/82/67/66/1180826766.db2.gz LILSTEXJQJSHFW-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972846339 1180889970 /nfs/dbraw/zinc/88/99/70/1180889970.db2.gz MQFYOEFUGNOOFN-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972846339 1180889971 /nfs/dbraw/zinc/88/99/71/1180889971.db2.gz MQFYOEFUGNOOFN-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972846340 1180890051 /nfs/dbraw/zinc/89/00/51/1180890051.db2.gz MQFYOEFUGNOOFN-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972846340 1180890054 /nfs/dbraw/zinc/89/00/54/1180890054.db2.gz MQFYOEFUGNOOFN-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001024165370 1180934694 /nfs/dbraw/zinc/93/46/94/1180934694.db2.gz OQDVBNTVSIAFPZ-RBSFLKMASA-N 2 2 357.462 0.681 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493500 1181243923 /nfs/dbraw/zinc/24/39/23/1181243923.db2.gz SHFCRYJHTJSOBY-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493500 1181243929 /nfs/dbraw/zinc/24/39/29/1181243929.db2.gz SHFCRYJHTJSOBY-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001024507556 1181263067 /nfs/dbraw/zinc/26/30/67/1181263067.db2.gz WMNZPAGENHAMEN-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001024507556 1181263072 /nfs/dbraw/zinc/26/30/72/1181263072.db2.gz WMNZPAGENHAMEN-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024507556 1181263077 /nfs/dbraw/zinc/26/30/77/1181263077.db2.gz WMNZPAGENHAMEN-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024507556 1181263082 /nfs/dbraw/zinc/26/30/82/1181263082.db2.gz WMNZPAGENHAMEN-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000082985989 1181613368 /nfs/dbraw/zinc/61/33/68/1181613368.db2.gz KJETUJFOZPDSTH-VQIMIIECSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000082985989 1181613375 /nfs/dbraw/zinc/61/33/75/1181613375.db2.gz KJETUJFOZPDSTH-VQIMIIECSA-N 2 2 361.486 0.585 20 0 FCADLP COc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)ccn1 ZINC001083273653 1181734726 /nfs/dbraw/zinc/73/47/26/1181734726.db2.gz CLTNRRRUJKFTEG-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)ccn1 ZINC001083273653 1181734731 /nfs/dbraw/zinc/73/47/31/1181734731.db2.gz CLTNRRRUJKFTEG-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)ccn1 ZINC001083273653 1181734736 /nfs/dbraw/zinc/73/47/36/1181734736.db2.gz CLTNRRRUJKFTEG-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)ccn1 ZINC001083273653 1181734743 /nfs/dbraw/zinc/73/47/43/1181734743.db2.gz CLTNRRRUJKFTEG-IXDOHACOSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274010 1181741207 /nfs/dbraw/zinc/74/12/07/1181741207.db2.gz RNPKCFKEMNDKMU-HYVNUMGLSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)n1 ZINC001083274010 1181741230 /nfs/dbraw/zinc/74/12/30/1181741230.db2.gz RNPKCFKEMNDKMU-HYVNUMGLSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)n1 ZINC001083274010 1181741238 /nfs/dbraw/zinc/74/12/38/1181741238.db2.gz RNPKCFKEMNDKMU-HYVNUMGLSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)n1 ZINC001083274010 1181741243 /nfs/dbraw/zinc/74/12/43/1181741243.db2.gz RNPKCFKEMNDKMU-HYVNUMGLSA-N 2 2 360.458 0.454 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001083275917 1181864240 /nfs/dbraw/zinc/86/42/40/1181864240.db2.gz CKJSHIKSTGTPDX-DLBZAZTESA-N 2 2 371.441 0.002 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@H]21 ZINC001083275917 1181864247 /nfs/dbraw/zinc/86/42/47/1181864247.db2.gz CKJSHIKSTGTPDX-DLBZAZTESA-N 2 2 371.441 0.002 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083275930 1181864560 /nfs/dbraw/zinc/86/45/60/1181864560.db2.gz DCNUHEWYMLQWRM-IPMKNSEASA-N 2 2 370.453 0.837 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083275930 1181864562 /nfs/dbraw/zinc/86/45/62/1181864562.db2.gz DCNUHEWYMLQWRM-IPMKNSEASA-N 2 2 370.453 0.837 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021468 1182389121 /nfs/dbraw/zinc/38/91/21/1182389121.db2.gz OYSZCMRCNINRPM-SCTDSRPQSA-N 2 2 364.490 0.887 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021468 1182389127 /nfs/dbraw/zinc/38/91/27/1182389127.db2.gz OYSZCMRCNINRPM-SCTDSRPQSA-N 2 2 364.490 0.887 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC1CCC1 ZINC001104728946 1182400599 /nfs/dbraw/zinc/40/05/99/1182400599.db2.gz JBKZYMXRAVHFAJ-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892803416 1182509288 /nfs/dbraw/zinc/50/92/88/1182509288.db2.gz JCSFHCYUYWRSOR-MSOLQXFVSA-N 2 2 362.474 0.035 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCOC34CCOCC4)C2)CC1 ZINC000893022175 1182865924 /nfs/dbraw/zinc/86/59/24/1182865924.db2.gz KKKOIDZVJVKHLV-WBVHZDCISA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCOC34CCOCC4)C2)CC1 ZINC000893022175 1182865927 /nfs/dbraw/zinc/86/59/27/1182865927.db2.gz KKKOIDZVJVKHLV-WBVHZDCISA-N 2 2 366.506 0.792 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026050860 1182877290 /nfs/dbraw/zinc/87/72/90/1182877290.db2.gz RLBNOKIBPWZDAH-DBDULZNHSA-N 2 2 371.485 0.579 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026050860 1182877295 /nfs/dbraw/zinc/87/72/95/1182877295.db2.gz RLBNOKIBPWZDAH-DBDULZNHSA-N 2 2 371.485 0.579 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]21 ZINC001083290570 1182902710 /nfs/dbraw/zinc/90/27/10/1182902710.db2.gz IVVULDGNNXMIHN-ZWKOTPCHSA-N 2 2 356.426 0.874 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]21 ZINC001083290570 1182902722 /nfs/dbraw/zinc/90/27/22/1182902722.db2.gz IVVULDGNNXMIHN-ZWKOTPCHSA-N 2 2 356.426 0.874 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104776029 1182914266 /nfs/dbraw/zinc/91/42/66/1182914266.db2.gz VNGFCDLASVQOQO-RRFJBIMHSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104776029 1182914272 /nfs/dbraw/zinc/91/42/72/1182914272.db2.gz VNGFCDLASVQOQO-RRFJBIMHSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)c1nncn1C ZINC001104908181 1182990444 /nfs/dbraw/zinc/99/04/44/1182990444.db2.gz MMXGCPIVQJEGOZ-QLFBSQMISA-N 2 2 359.478 0.927 20 0 FCADLP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908823 1182990477 /nfs/dbraw/zinc/99/04/77/1182990477.db2.gz MIVRTZWZQJXXCU-HZPDHXFCSA-N 2 2 363.506 0.809 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC001087428315 1186180806 /nfs/dbraw/zinc/18/08/06/1186180806.db2.gz YKRBDRCUYVCNKF-VDHUWJSZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC001087428315 1186180813 /nfs/dbraw/zinc/18/08/13/1186180813.db2.gz YKRBDRCUYVCNKF-VDHUWJSZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CC[NH+]1C ZINC001087428315 1186180816 /nfs/dbraw/zinc/18/08/16/1186180816.db2.gz YKRBDRCUYVCNKF-VDHUWJSZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CC[NH+]1C ZINC001087428315 1186180820 /nfs/dbraw/zinc/18/08/20/1186180820.db2.gz YKRBDRCUYVCNKF-VDHUWJSZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966041 1186242965 /nfs/dbraw/zinc/24/29/65/1186242965.db2.gz JLKCGJYFFTXCMP-ZTFGCOKTSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966041 1186242973 /nfs/dbraw/zinc/24/29/73/1186242973.db2.gz JLKCGJYFFTXCMP-ZTFGCOKTSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966041 1186242980 /nfs/dbraw/zinc/24/29/80/1186242980.db2.gz JLKCGJYFFTXCMP-ZTFGCOKTSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966041 1186242990 /nfs/dbraw/zinc/24/29/90/1186242990.db2.gz JLKCGJYFFTXCMP-ZTFGCOKTSA-N 2 2 361.490 0.629 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000981412175 1186415465 /nfs/dbraw/zinc/41/54/65/1186415465.db2.gz JEVYEBKLMSGGNM-YSVLISHTSA-N 2 2 359.474 0.695 20 0 FCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981666893 1186478705 /nfs/dbraw/zinc/47/87/05/1186478705.db2.gz FZVKWOCVPMYKRG-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981666893 1186478711 /nfs/dbraw/zinc/47/87/11/1186478711.db2.gz FZVKWOCVPMYKRG-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)c(C)n1 ZINC001075613556 1186648952 /nfs/dbraw/zinc/64/89/52/1186648952.db2.gz GYNBOTVVPSQGLK-BHYGNILZSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)c(C)n1 ZINC001075613556 1186648958 /nfs/dbraw/zinc/64/89/58/1186648958.db2.gz GYNBOTVVPSQGLK-BHYGNILZSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)c(C)n1 ZINC001075613556 1186648961 /nfs/dbraw/zinc/64/89/61/1186648961.db2.gz GYNBOTVVPSQGLK-BHYGNILZSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)c(C)n1 ZINC001075613556 1186648962 /nfs/dbraw/zinc/64/89/62/1186648962.db2.gz GYNBOTVVPSQGLK-BHYGNILZSA-N 2 2 359.474 0.921 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001028550715 1187602379 /nfs/dbraw/zinc/60/23/79/1187602379.db2.gz RQFNUAYYRNAFHX-QLFBSQMISA-N 2 2 360.462 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001028550715 1187602381 /nfs/dbraw/zinc/60/23/81/1187602381.db2.gz RQFNUAYYRNAFHX-QLFBSQMISA-N 2 2 360.462 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001028550715 1187602383 /nfs/dbraw/zinc/60/23/83/1187602383.db2.gz RQFNUAYYRNAFHX-QLFBSQMISA-N 2 2 360.462 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001028550715 1187602385 /nfs/dbraw/zinc/60/23/85/1187602385.db2.gz RQFNUAYYRNAFHX-QLFBSQMISA-N 2 2 360.462 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001028550719 1187602755 /nfs/dbraw/zinc/60/27/55/1187602755.db2.gz RVQRAHLLZBPCBF-QLFBSQMISA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001028550719 1187602757 /nfs/dbraw/zinc/60/27/57/1187602757.db2.gz RVQRAHLLZBPCBF-QLFBSQMISA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nnc4n3CCOC4)C2)CC[NH+]1C ZINC001028550719 1187602761 /nfs/dbraw/zinc/60/27/61/1187602761.db2.gz RVQRAHLLZBPCBF-QLFBSQMISA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc4n3CCOC4)C2)CC[NH+]1C ZINC001028550719 1187602763 /nfs/dbraw/zinc/60/27/63/1187602763.db2.gz RVQRAHLLZBPCBF-QLFBSQMISA-N 2 2 362.478 0.087 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385166 1187712733 /nfs/dbraw/zinc/71/27/33/1187712733.db2.gz FUADPXFZDPEJSI-FGTMMUONSA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385166 1187712738 /nfs/dbraw/zinc/71/27/38/1187712738.db2.gz FUADPXFZDPEJSI-FGTMMUONSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385166 1187712742 /nfs/dbraw/zinc/71/27/42/1187712742.db2.gz FUADPXFZDPEJSI-FGTMMUONSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385166 1187712748 /nfs/dbraw/zinc/71/27/48/1187712748.db2.gz FUADPXFZDPEJSI-FGTMMUONSA-N 2 2 370.453 0.227 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385763 1187715456 /nfs/dbraw/zinc/71/54/56/1187715456.db2.gz YIAAOOISKNAPDA-QYZOEREBSA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385763 1187715461 /nfs/dbraw/zinc/71/54/61/1187715461.db2.gz YIAAOOISKNAPDA-QYZOEREBSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385763 1187715465 /nfs/dbraw/zinc/71/54/65/1187715465.db2.gz YIAAOOISKNAPDA-QYZOEREBSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385763 1187715470 /nfs/dbraw/zinc/71/54/70/1187715470.db2.gz YIAAOOISKNAPDA-QYZOEREBSA-N 2 2 370.453 0.227 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385799 1187715568 /nfs/dbraw/zinc/71/55/68/1187715568.db2.gz ZKXQOFNVLIZTBP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385799 1187715572 /nfs/dbraw/zinc/71/55/72/1187715572.db2.gz ZKXQOFNVLIZTBP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385799 1187715577 /nfs/dbraw/zinc/71/55/77/1187715577.db2.gz ZKXQOFNVLIZTBP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385799 1187715581 /nfs/dbraw/zinc/71/55/81/1187715581.db2.gz ZKXQOFNVLIZTBP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385762 1187715748 /nfs/dbraw/zinc/71/57/48/1187715748.db2.gz YIAAOOISKNAPDA-CEXWTWQISA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385762 1187715752 /nfs/dbraw/zinc/71/57/52/1187715752.db2.gz YIAAOOISKNAPDA-CEXWTWQISA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385762 1187715756 /nfs/dbraw/zinc/71/57/56/1187715756.db2.gz YIAAOOISKNAPDA-CEXWTWQISA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2O)C1 ZINC001083385762 1187715759 /nfs/dbraw/zinc/71/57/59/1187715759.db2.gz YIAAOOISKNAPDA-CEXWTWQISA-N 2 2 370.453 0.227 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627834 1187755911 /nfs/dbraw/zinc/75/59/11/1187755911.db2.gz JBDXXRBMSCZAJU-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627834 1187755917 /nfs/dbraw/zinc/75/59/17/1187755917.db2.gz JBDXXRBMSCZAJU-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627834 1187755923 /nfs/dbraw/zinc/75/59/23/1187755923.db2.gz JBDXXRBMSCZAJU-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)O1 ZINC001028627834 1187755931 /nfs/dbraw/zinc/75/59/31/1187755931.db2.gz JBDXXRBMSCZAJU-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP CC(C)c1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628745 1187757178 /nfs/dbraw/zinc/75/71/78/1187757178.db2.gz YSZUUQSKDCDWMA-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628745 1187757182 /nfs/dbraw/zinc/75/71/82/1187757182.db2.gz YSZUUQSKDCDWMA-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628745 1187757186 /nfs/dbraw/zinc/75/71/86/1187757186.db2.gz YSZUUQSKDCDWMA-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628745 1187757190 /nfs/dbraw/zinc/75/71/90/1187757190.db2.gz YSZUUQSKDCDWMA-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628481 1187757743 /nfs/dbraw/zinc/75/77/43/1187757743.db2.gz UFNFGDDVNKLSPI-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628481 1187757750 /nfs/dbraw/zinc/75/77/50/1187757750.db2.gz UFNFGDDVNKLSPI-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628481 1187757761 /nfs/dbraw/zinc/75/77/61/1187757761.db2.gz UFNFGDDVNKLSPI-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628481 1187757769 /nfs/dbraw/zinc/75/77/69/1187757769.db2.gz UFNFGDDVNKLSPI-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629358 1187758543 /nfs/dbraw/zinc/75/85/43/1187758543.db2.gz KDDILDLKQBTFGY-VNQPRFMTSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629358 1187758546 /nfs/dbraw/zinc/75/85/46/1187758546.db2.gz KDDILDLKQBTFGY-VNQPRFMTSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629358 1187758550 /nfs/dbraw/zinc/75/85/50/1187758550.db2.gz KDDILDLKQBTFGY-VNQPRFMTSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629358 1187758552 /nfs/dbraw/zinc/75/85/52/1187758552.db2.gz KDDILDLKQBTFGY-VNQPRFMTSA-N 2 2 364.494 0.264 20 0 FCADLP CC(C)c1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630147 1187758854 /nfs/dbraw/zinc/75/88/54/1187758854.db2.gz YQRBEDRCMWUBQP-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630147 1187758856 /nfs/dbraw/zinc/75/88/56/1187758856.db2.gz YQRBEDRCMWUBQP-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630147 1187758859 /nfs/dbraw/zinc/75/88/59/1187758859.db2.gz YQRBEDRCMWUBQP-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630147 1187758863 /nfs/dbraw/zinc/75/88/63/1187758863.db2.gz YQRBEDRCMWUBQP-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000983015066 1187815847 /nfs/dbraw/zinc/81/58/47/1187815847.db2.gz ZPFMHTIBBBFCPS-QLFBSQMISA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000983015066 1187815849 /nfs/dbraw/zinc/81/58/49/1187815849.db2.gz ZPFMHTIBBBFCPS-QLFBSQMISA-N 2 2 361.490 0.992 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001270155693 1188034027 /nfs/dbraw/zinc/03/40/27/1188034027.db2.gz QGHWOFRFFBQPGL-LPHOPBHVSA-N 2 2 359.474 0.998 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001075742413 1188057044 /nfs/dbraw/zinc/05/70/44/1188057044.db2.gz YLKLKFLTOZLYLI-JKSUJKDBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001075742413 1188057050 /nfs/dbraw/zinc/05/70/50/1188057050.db2.gz YLKLKFLTOZLYLI-JKSUJKDBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075744334 1188060147 /nfs/dbraw/zinc/06/01/47/1188060147.db2.gz KRNYGOYDVXEDBI-RRFJBIMHSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075744334 1188060150 /nfs/dbraw/zinc/06/01/50/1188060150.db2.gz KRNYGOYDVXEDBI-RRFJBIMHSA-N 2 2 355.446 0.654 20 0 FCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001270328177 1188096200 /nfs/dbraw/zinc/09/62/00/1188096200.db2.gz DCTOHRPCFZUOAJ-NUEKZKHPSA-N 2 2 359.474 0.983 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1=O ZINC001270329133 1188096775 /nfs/dbraw/zinc/09/67/75/1188096775.db2.gz MBHLWGKWAKSCLU-LIRRHRJNSA-N 2 2 359.474 0.985 20 0 FCADLP C[N@@H+]1CCC[C@H](C(=O)N2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334011 1188098944 /nfs/dbraw/zinc/09/89/44/1188098944.db2.gz WHQYBLLREGQYLB-QFBILLFUSA-N 2 2 359.474 0.676 20 0 FCADLP C[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334011 1188098949 /nfs/dbraw/zinc/09/89/49/1188098949.db2.gz WHQYBLLREGQYLB-QFBILLFUSA-N 2 2 359.474 0.676 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332500 1188100997 /nfs/dbraw/zinc/10/09/97/1188100997.db2.gz KJIXZUCRVARAIG-HNAYVOBHSA-N 2 2 359.474 0.713 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332500 1188101002 /nfs/dbraw/zinc/10/10/02/1188101002.db2.gz KJIXZUCRVARAIG-HNAYVOBHSA-N 2 2 359.474 0.713 20 0 FCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc5[nH+]ccn54)CC3)[C@@H]2C1 ZINC001270496587 1188176142 /nfs/dbraw/zinc/17/61/42/1188176142.db2.gz PNSVHYVQPVNBFP-ZIAGYGMSSA-N 2 2 353.426 0.617 20 0 FCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cccc5[nH+]ccn54)CC3)[C@@H]2C1 ZINC001270496587 1188176148 /nfs/dbraw/zinc/17/61/48/1188176148.db2.gz PNSVHYVQPVNBFP-ZIAGYGMSSA-N 2 2 353.426 0.617 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC[N@@H+]1C ZINC001299175719 1188396632 /nfs/dbraw/zinc/39/66/32/1188396632.db2.gz WGZWYGOPXXDQOP-RBSFLKMASA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC[N@H+]1C ZINC001299175719 1188396636 /nfs/dbraw/zinc/39/66/36/1188396636.db2.gz WGZWYGOPXXDQOP-RBSFLKMASA-N 2 2 359.474 0.551 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(OC)n1 ZINC001087529747 1189385277 /nfs/dbraw/zinc/38/52/77/1189385277.db2.gz SBXKYAPVENRAAZ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(OC)n1 ZINC001087529747 1189385284 /nfs/dbraw/zinc/38/52/84/1189385284.db2.gz SBXKYAPVENRAAZ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(OC)n1 ZINC001087529747 1189385291 /nfs/dbraw/zinc/38/52/91/1189385291.db2.gz SBXKYAPVENRAAZ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(OC)n1 ZINC001087529747 1189385298 /nfs/dbraw/zinc/38/52/98/1189385298.db2.gz SBXKYAPVENRAAZ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP O=C(CC[NH+]1CCCC1)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001271062645 1189550778 /nfs/dbraw/zinc/55/07/78/1189550778.db2.gz ZUZASOIMQVQVNV-IBGZPJMESA-N 2 2 359.474 0.820 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087631141 1189680014 /nfs/dbraw/zinc/68/00/14/1189680014.db2.gz MJYUVZQWHBWHAK-HYVNUMGLSA-N 2 2 359.474 0.647 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087631141 1189680025 /nfs/dbraw/zinc/68/00/25/1189680025.db2.gz MJYUVZQWHBWHAK-HYVNUMGLSA-N 2 2 359.474 0.647 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+]1CCOC ZINC001087668300 1189714104 /nfs/dbraw/zinc/71/41/04/1189714104.db2.gz NODUNVQNBKXEFG-XDNAFOTISA-N 2 2 369.506 0.482 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+]1CCOC ZINC001087668300 1189714105 /nfs/dbraw/zinc/71/41/05/1189714105.db2.gz NODUNVQNBKXEFG-XDNAFOTISA-N 2 2 369.506 0.482 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1cncn1C ZINC001087700281 1189778687 /nfs/dbraw/zinc/77/86/87/1189778687.db2.gz HQLASKRVTXREJZ-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1cncn1C ZINC001087700281 1189778707 /nfs/dbraw/zinc/77/87/07/1189778707.db2.gz HQLASKRVTXREJZ-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1cncn1C ZINC001087700281 1189778720 /nfs/dbraw/zinc/77/87/20/1189778720.db2.gz HQLASKRVTXREJZ-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1cncn1C ZINC001087700281 1189778731 /nfs/dbraw/zinc/77/87/31/1189778731.db2.gz HQLASKRVTXREJZ-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271144046 1189815154 /nfs/dbraw/zinc/81/51/54/1189815154.db2.gz RNYDEQZDBHZUDC-VQIMIIECSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144046 1189815156 /nfs/dbraw/zinc/81/51/56/1189815156.db2.gz RNYDEQZDBHZUDC-VQIMIIECSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001271144222 1189815569 /nfs/dbraw/zinc/81/55/69/1189815569.db2.gz WZLBSPFEVKCHFA-LPHOPBHVSA-N 2 2 359.474 0.998 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001271144222 1189815570 /nfs/dbraw/zinc/81/55/70/1189815570.db2.gz WZLBSPFEVKCHFA-LPHOPBHVSA-N 2 2 359.474 0.998 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908516 1189893755 /nfs/dbraw/zinc/89/37/55/1189893755.db2.gz FDOIFTFKEBLMIO-IJEWVQPXSA-N 2 2 359.478 0.383 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908516 1189893761 /nfs/dbraw/zinc/89/37/61/1189893761.db2.gz FDOIFTFKEBLMIO-IJEWVQPXSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908516 1189893762 /nfs/dbraw/zinc/89/37/62/1189893762.db2.gz FDOIFTFKEBLMIO-IJEWVQPXSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908516 1189893764 /nfs/dbraw/zinc/89/37/64/1189893764.db2.gz FDOIFTFKEBLMIO-IJEWVQPXSA-N 2 2 359.478 0.383 20 0 FCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950510 1189981224 /nfs/dbraw/zinc/98/12/24/1189981224.db2.gz WGGDFVHLBJISIU-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950510 1189981230 /nfs/dbraw/zinc/98/12/30/1189981230.db2.gz WGGDFVHLBJISIU-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950417 1189981255 /nfs/dbraw/zinc/98/12/55/1189981255.db2.gz RGTUGHNHZLUVQI-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP 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COCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213571 1224147280 /nfs/dbraw/zinc/14/72/80/1224147280.db2.gz GZUJOOLWITVBMV-DLBZAZTESA-N 2 2 366.462 0.688 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001691586611 1193742746 /nfs/dbraw/zinc/74/27/46/1193742746.db2.gz LRFIQTXAFKRXSA-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001691586611 1193742747 /nfs/dbraw/zinc/74/27/47/1193742747.db2.gz LRFIQTXAFKRXSA-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001691612664 1193801221 /nfs/dbraw/zinc/80/12/21/1193801221.db2.gz LYUYVFMJZWAZSK-UONOGXRCSA-N 2 2 358.450 0.669 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1[NH+](C)C ZINC000550871897 1193816454 /nfs/dbraw/zinc/81/64/54/1193816454.db2.gz VZCPAHVVXARKFV-CRAIPNDOSA-N 2 2 369.469 0.956 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1)N1CCC1 ZINC001075948931 1193827016 /nfs/dbraw/zinc/82/70/16/1193827016.db2.gz PMMVKPVCFXBTLE-SUMWQHHRSA-N 2 2 353.426 0.942 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1)N1CCC1 ZINC001075948931 1193827017 /nfs/dbraw/zinc/82/70/17/1193827017.db2.gz PMMVKPVCFXBTLE-SUMWQHHRSA-N 2 2 353.426 0.942 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000551032735 1193829149 /nfs/dbraw/zinc/82/91/49/1193829149.db2.gz PJXAJFPHRACFOE-LSDHHAIUSA-N 2 2 358.446 0.838 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551140849 1193836574 /nfs/dbraw/zinc/83/65/74/1193836574.db2.gz XCVLFLYVXYDVPL-HZPDHXFCSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551140849 1193836577 /nfs/dbraw/zinc/83/65/77/1193836577.db2.gz XCVLFLYVXYDVPL-HZPDHXFCSA-N 2 2 359.474 0.621 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)(C)C[NH+](C)C ZINC000551334795 1193850434 /nfs/dbraw/zinc/85/04/34/1193850434.db2.gz ZVSSBFSWJGXXEL-CQSZACIVSA-N 2 2 363.506 0.971 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105655595 1193859780 /nfs/dbraw/zinc/85/97/80/1193859780.db2.gz JIEJUBDHZLFCEQ-FPAYPSAMSA-N 2 2 364.490 0.955 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967011 1193885956 /nfs/dbraw/zinc/88/59/56/1193885956.db2.gz CFRKZMKGYAXCOX-LZLYRXPVSA-N 2 2 354.458 0.912 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967011 1193885958 /nfs/dbraw/zinc/88/59/58/1193885958.db2.gz CFRKZMKGYAXCOX-LZLYRXPVSA-N 2 2 354.458 0.912 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757239 1193891602 /nfs/dbraw/zinc/89/16/02/1193891602.db2.gz PFJNXGHQRZGIRB-QNWZVJNHSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757239 1193891603 /nfs/dbraw/zinc/89/16/03/1193891603.db2.gz PFJNXGHQRZGIRB-QNWZVJNHSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757239 1193891604 /nfs/dbraw/zinc/89/16/04/1193891604.db2.gz PFJNXGHQRZGIRB-QNWZVJNHSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757239 1193891608 /nfs/dbraw/zinc/89/16/08/1193891608.db2.gz PFJNXGHQRZGIRB-QNWZVJNHSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001088757370 1193892119 /nfs/dbraw/zinc/89/21/19/1193892119.db2.gz VXEGTOJSHJAJLR-GHONMVHDSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1ccn(C)n1 ZINC001088757370 1193892121 /nfs/dbraw/zinc/89/21/21/1193892121.db2.gz VXEGTOJSHJAJLR-GHONMVHDSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ccn(C)n1 ZINC001088757370 1193892122 /nfs/dbraw/zinc/89/21/22/1193892122.db2.gz VXEGTOJSHJAJLR-GHONMVHDSA-N 2 2 359.474 0.362 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052608 1193899787 /nfs/dbraw/zinc/89/97/87/1193899787.db2.gz HGGHJXHUFCUBFL-JZXOWHBKSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052608 1193899789 /nfs/dbraw/zinc/89/97/89/1193899789.db2.gz HGGHJXHUFCUBFL-JZXOWHBKSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000552135587 1193906020 /nfs/dbraw/zinc/90/60/20/1193906020.db2.gz FHGGOINMRPYWCG-IBGZPJMESA-N 2 2 374.529 0.983 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000552135587 1193906024 /nfs/dbraw/zinc/90/60/24/1193906024.db2.gz FHGGOINMRPYWCG-IBGZPJMESA-N 2 2 374.529 0.983 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cn2)CC1 ZINC001218580575 1224176894 /nfs/dbraw/zinc/17/68/94/1224176894.db2.gz SBEANYRMWRBOFD-HNNXBMFYSA-N 3 2 359.478 0.041 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575824 1224177043 /nfs/dbraw/zinc/17/70/43/1224177043.db2.gz RGDBBOWZIWWLSO-BHYGNILZSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575824 1224177045 /nfs/dbraw/zinc/17/70/45/1224177045.db2.gz RGDBBOWZIWWLSO-BHYGNILZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H](C[C@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000552646237 1193946533 /nfs/dbraw/zinc/94/65/33/1193946533.db2.gz IYZANVODGKSVEL-DOTOQJQBSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](C[C@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552646237 1193946537 /nfs/dbraw/zinc/94/65/37/1193946537.db2.gz IYZANVODGKSVEL-DOTOQJQBSA-N 2 2 368.522 0.545 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668712 1193953927 /nfs/dbraw/zinc/95/39/27/1193953927.db2.gz YMCLCWPUTHAIFE-PSBWJHGTSA-N 2 2 364.490 0.575 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000553401772 1193995507 /nfs/dbraw/zinc/99/55/07/1193995507.db2.gz YTMHVASXVZTXDC-YFVAEKQCSA-N 2 2 373.497 0.945 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000553401772 1193995516 /nfs/dbraw/zinc/99/55/16/1193995516.db2.gz YTMHVASXVZTXDC-YFVAEKQCSA-N 2 2 373.497 0.945 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646626 1224189171 /nfs/dbraw/zinc/18/91/71/1224189171.db2.gz WPTPBOFZLJOOCG-JKSUJKDBSA-N 2 2 368.522 0.354 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646626 1224189176 /nfs/dbraw/zinc/18/91/76/1224189176.db2.gz WPTPBOFZLJOOCG-JKSUJKDBSA-N 2 2 368.522 0.354 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646626 1224189180 /nfs/dbraw/zinc/18/91/80/1224189180.db2.gz WPTPBOFZLJOOCG-JKSUJKDBSA-N 2 2 368.522 0.354 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646626 1224189185 /nfs/dbraw/zinc/18/91/85/1224189185.db2.gz WPTPBOFZLJOOCG-JKSUJKDBSA-N 2 2 368.522 0.354 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000842194478 1194087330 /nfs/dbraw/zinc/08/73/30/1194087330.db2.gz KKRGTZNMXZWCAA-INIZCTEOSA-N 2 2 373.501 0.658 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000842194642 1194087641 /nfs/dbraw/zinc/08/76/41/1194087641.db2.gz SASFIBPYCMDWEA-AWEZNQCLSA-N 2 2 361.490 0.691 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000842229367 1194109148 /nfs/dbraw/zinc/10/91/48/1194109148.db2.gz GWDFDCHFFAHGSK-GOSISDBHSA-N 2 2 374.485 0.127 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765740 1194116728 /nfs/dbraw/zinc/11/67/28/1194116728.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765740 1194116732 /nfs/dbraw/zinc/11/67/32/1194116732.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765740 1194116733 /nfs/dbraw/zinc/11/67/33/1194116733.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765740 1194116736 /nfs/dbraw/zinc/11/67/36/1194116736.db2.gz SXZBKNHTBQHVDE-ZUMXRPEOSA-N 2 2 362.478 0.062 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)N(c1ncccc1N)C1CC[NH2+]CC1)C[NH2+]C2 ZINC001218695197 1224198316 /nfs/dbraw/zinc/19/83/16/1224198316.db2.gz PGJWBDNHEYDMLV-ZDUSSCGKSA-N 2 2 370.461 0.247 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051471 1194269130 /nfs/dbraw/zinc/26/91/30/1194269130.db2.gz WFYBYHSRTVJXCS-JLJPHGGASA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051471 1194269137 /nfs/dbraw/zinc/26/91/37/1194269137.db2.gz WFYBYHSRTVJXCS-JLJPHGGASA-N 2 2 359.474 0.559 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1 ZINC001218744880 1224210873 /nfs/dbraw/zinc/21/08/73/1224210873.db2.gz NEAZASMAXJMRQN-HNNXBMFYSA-N 2 2 369.429 0.865 20 0 FCADLP NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218769462 1224215975 /nfs/dbraw/zinc/21/59/75/1224215975.db2.gz JFAPIXVYMQDZTQ-UHFFFAOYSA-N 2 2 374.470 0.445 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076463448 1194507514 /nfs/dbraw/zinc/50/75/14/1194507514.db2.gz QIXGKGKFCPOFLZ-DOTOQJQBSA-N 2 2 355.442 0.394 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076463448 1194507518 /nfs/dbraw/zinc/50/75/18/1194507518.db2.gz QIXGKGKFCPOFLZ-DOTOQJQBSA-N 2 2 355.442 0.394 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576242 1194583122 /nfs/dbraw/zinc/58/31/22/1194583122.db2.gz CBWAPXOPZSERAN-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576242 1194583126 /nfs/dbraw/zinc/58/31/26/1194583126.db2.gz CBWAPXOPZSERAN-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP CN(C)C(=O)CCN1CC[C@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795991 1224226750 /nfs/dbraw/zinc/22/67/50/1224226750.db2.gz SWVGXQLLFYMAFL-DNVCBOLYSA-N 2 2 368.522 0.281 20 0 FCADLP CN(C)C(=O)CCN1CC[C@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795991 1224226755 /nfs/dbraw/zinc/22/67/55/1224226755.db2.gz SWVGXQLLFYMAFL-DNVCBOLYSA-N 2 2 368.522 0.281 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839006 1195044880 /nfs/dbraw/zinc/04/48/80/1195044880.db2.gz WSBPUADBCZERII-KZNAEPCWSA-N 2 2 369.506 0.218 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839006 1195044883 /nfs/dbraw/zinc/04/48/83/1195044883.db2.gz WSBPUADBCZERII-KZNAEPCWSA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839006 1195044884 /nfs/dbraw/zinc/04/48/84/1195044884.db2.gz WSBPUADBCZERII-KZNAEPCWSA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@H]2O)C1 ZINC001076839006 1195044886 /nfs/dbraw/zinc/04/48/86/1195044886.db2.gz WSBPUADBCZERII-KZNAEPCWSA-N 2 2 369.506 0.218 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999377 1195128047 /nfs/dbraw/zinc/12/80/47/1195128047.db2.gz PBIJKNAYVJNWKS-IAGOWNOFSA-N 2 2 363.506 0.654 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999377 1195128051 /nfs/dbraw/zinc/12/80/51/1195128051.db2.gz PBIJKNAYVJNWKS-IAGOWNOFSA-N 2 2 363.506 0.654 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]3O)ccn12 ZINC001076996879 1195134927 /nfs/dbraw/zinc/13/49/27/1195134927.db2.gz RVOLNRJBHPAQJD-GVDBMIGSSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]3O)ccn12 ZINC001076996879 1195134933 /nfs/dbraw/zinc/13/49/33/1195134933.db2.gz RVOLNRJBHPAQJD-GVDBMIGSSA-N 2 2 358.442 0.987 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1F ZINC001077022624 1195153677 /nfs/dbraw/zinc/15/36/77/1195153677.db2.gz LASMTNFPYMGXSL-ODVANORSSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1F ZINC001077022624 1195153680 /nfs/dbraw/zinc/15/36/80/1195153680.db2.gz LASMTNFPYMGXSL-ODVANORSSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC001077022624 1195153685 /nfs/dbraw/zinc/15/36/85/1195153685.db2.gz LASMTNFPYMGXSL-ODVANORSSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC001077022624 1195153689 /nfs/dbraw/zinc/15/36/89/1195153689.db2.gz LASMTNFPYMGXSL-ODVANORSSA-N 2 2 365.449 0.836 20 0 FCADLP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001077183308 1195301449 /nfs/dbraw/zinc/30/14/49/1195301449.db2.gz GHVDAILNZMYECR-NUEKZKHPSA-N 2 2 361.490 0.876 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218965438 1224273048 /nfs/dbraw/zinc/27/30/48/1224273048.db2.gz KJMJUEIHKCJKAB-ZWKOTPCHSA-N 2 2 364.490 0.937 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218965438 1224273053 /nfs/dbraw/zinc/27/30/53/1224273053.db2.gz KJMJUEIHKCJKAB-ZWKOTPCHSA-N 2 2 364.490 0.937 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001077218421 1195327800 /nfs/dbraw/zinc/32/78/00/1195327800.db2.gz ZXOBYASUKDTWPK-BHUNQDJPSA-N 2 2 364.490 0.903 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001077218421 1195327805 /nfs/dbraw/zinc/32/78/05/1195327805.db2.gz ZXOBYASUKDTWPK-BHUNQDJPSA-N 2 2 364.490 0.903 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219445 1195328574 /nfs/dbraw/zinc/32/85/74/1195328574.db2.gz RGODYCVZSXBPDE-DJIMGWMZSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219445 1195328579 /nfs/dbraw/zinc/32/85/79/1195328579.db2.gz RGODYCVZSXBPDE-DJIMGWMZSA-N 2 2 359.474 0.575 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237118 1195338618 /nfs/dbraw/zinc/33/86/18/1195338618.db2.gz YNSUXAZKPFLRFH-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237118 1195338623 /nfs/dbraw/zinc/33/86/23/1195338623.db2.gz YNSUXAZKPFLRFH-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001077237118 1195338628 /nfs/dbraw/zinc/33/86/28/1195338628.db2.gz YNSUXAZKPFLRFH-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001077237118 1195338633 /nfs/dbraw/zinc/33/86/33/1195338633.db2.gz YNSUXAZKPFLRFH-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233191 1195341842 /nfs/dbraw/zinc/34/18/42/1195341842.db2.gz NUDMWMDIMMECNY-APHBMKBZSA-N 2 2 367.413 0.117 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233191 1195341849 /nfs/dbraw/zinc/34/18/49/1195341849.db2.gz NUDMWMDIMMECNY-APHBMKBZSA-N 2 2 367.413 0.117 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275882 1195376359 /nfs/dbraw/zinc/37/63/59/1195376359.db2.gz AQPUWHPJYUURKP-BRWVUGGUSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275882 1195376362 /nfs/dbraw/zinc/37/63/62/1195376362.db2.gz AQPUWHPJYUURKP-BRWVUGGUSA-N 2 2 371.441 0.038 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299594 1195398836 /nfs/dbraw/zinc/39/88/36/1195398836.db2.gz IYUKQSUWLRGTDA-IAGOWNOFSA-N 2 2 362.474 0.835 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299594 1195398844 /nfs/dbraw/zinc/39/88/44/1195398844.db2.gz IYUKQSUWLRGTDA-IAGOWNOFSA-N 2 2 362.474 0.835 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1=O ZINC001077310100 1195412614 /nfs/dbraw/zinc/41/26/14/1195412614.db2.gz WRIRBNBLJFJEGE-BRWVUGGUSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1=O ZINC001077310100 1195412618 /nfs/dbraw/zinc/41/26/18/1195412618.db2.gz WRIRBNBLJFJEGE-BRWVUGGUSA-N 2 2 371.441 0.119 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001083573799 1195449621 /nfs/dbraw/zinc/44/96/21/1195449621.db2.gz VDOMSSRYQMKVDG-IKGGRYGDSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001083573799 1195449622 /nfs/dbraw/zinc/44/96/22/1195449622.db2.gz VDOMSSRYQMKVDG-IKGGRYGDSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)ccn1 ZINC001083573799 1195449624 /nfs/dbraw/zinc/44/96/24/1195449624.db2.gz VDOMSSRYQMKVDG-IKGGRYGDSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)ccn1 ZINC001083573799 1195449628 /nfs/dbraw/zinc/44/96/28/1195449628.db2.gz VDOMSSRYQMKVDG-IKGGRYGDSA-N 2 2 361.490 0.293 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@H]1O ZINC001077392525 1195490063 /nfs/dbraw/zinc/49/00/63/1195490063.db2.gz FQAMBLJZTBROOB-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@H]1O ZINC001077392525 1195490071 /nfs/dbraw/zinc/49/00/71/1195490071.db2.gz FQAMBLJZTBROOB-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396089 1195495261 /nfs/dbraw/zinc/49/52/61/1195495261.db2.gz NPCSYPJVYVCEEC-KFWWJZLASA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396089 1195495267 /nfs/dbraw/zinc/49/52/67/1195495267.db2.gz NPCSYPJVYVCEEC-KFWWJZLASA-N 2 2 366.368 0.533 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3nccnc3C)C[C@@H]21 ZINC001219004625 1224286799 /nfs/dbraw/zinc/28/67/99/1224286799.db2.gz PITFIPMBEBWKCJ-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3nccnc3C)C[C@@H]21 ZINC001219004625 1224286807 /nfs/dbraw/zinc/28/68/07/1224286807.db2.gz PITFIPMBEBWKCJ-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3nccnc3C)C[C@@H]21 ZINC001219004625 1224286814 /nfs/dbraw/zinc/28/68/14/1224286814.db2.gz PITFIPMBEBWKCJ-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@@H]21 ZINC001219004625 1224286822 /nfs/dbraw/zinc/28/68/22/1224286822.db2.gz PITFIPMBEBWKCJ-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083584428 1195541615 /nfs/dbraw/zinc/54/16/15/1195541615.db2.gz WBDAFHMJTUQKBO-QGTPRVQTSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)C2 ZINC001083584428 1195541619 /nfs/dbraw/zinc/54/16/19/1195541619.db2.gz WBDAFHMJTUQKBO-QGTPRVQTSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083584428 1195541624 /nfs/dbraw/zinc/54/16/24/1195541624.db2.gz WBDAFHMJTUQKBO-QGTPRVQTSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@@H]1O)CC2 ZINC001083584428 1195541626 /nfs/dbraw/zinc/54/16/26/1195541626.db2.gz WBDAFHMJTUQKBO-QGTPRVQTSA-N 2 2 362.474 0.411 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)[C@@H](O)C2)C1=O ZINC001083591821 1195591645 /nfs/dbraw/zinc/59/16/45/1195591645.db2.gz XZLPFVUKSMQSHR-IKGGRYGDSA-N 2 2 371.441 0.038 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)[C@@H](O)C2)C1=O ZINC001083591821 1195591646 /nfs/dbraw/zinc/59/16/46/1195591646.db2.gz XZLPFVUKSMQSHR-IKGGRYGDSA-N 2 2 371.441 0.038 20 0 FCADLP C[C@H](CNC(=O)c1cccn1CC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000906763925 1195657505 /nfs/dbraw/zinc/65/75/05/1195657505.db2.gz SRLLFIUIOBJRJN-QGZVFWFLSA-N 2 2 364.490 0.518 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587856 1195702996 /nfs/dbraw/zinc/70/29/96/1195702996.db2.gz LLTYHLUVXBSHDY-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587856 1195703000 /nfs/dbraw/zinc/70/30/00/1195703000.db2.gz LLTYHLUVXBSHDY-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587856 1195703002 /nfs/dbraw/zinc/70/30/02/1195703002.db2.gz LLTYHLUVXBSHDY-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587856 1195703007 /nfs/dbraw/zinc/70/30/07/1195703007.db2.gz LLTYHLUVXBSHDY-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC000908114902 1195723712 /nfs/dbraw/zinc/72/37/12/1195723712.db2.gz LWUXZCBTBSQICZ-CQSZACIVSA-N 2 2 360.462 0.229 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630637 1195802206 /nfs/dbraw/zinc/80/22/06/1195802206.db2.gz GNDRRGNUOIFWHR-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630637 1195802209 /nfs/dbraw/zinc/80/22/09/1195802209.db2.gz GNDRRGNUOIFWHR-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910660679 1195830009 /nfs/dbraw/zinc/83/00/09/1195830009.db2.gz ICDGPBDGXCSRAY-OAHLLOKOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910660679 1195830012 /nfs/dbraw/zinc/83/00/12/1195830012.db2.gz ICDGPBDGXCSRAY-OAHLLOKOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910660679 1195830014 /nfs/dbraw/zinc/83/00/14/1195830014.db2.gz ICDGPBDGXCSRAY-OAHLLOKOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910660679 1195830018 /nfs/dbraw/zinc/83/00/18/1195830018.db2.gz ICDGPBDGXCSRAY-OAHLLOKOSA-N 2 2 366.506 0.251 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(OC2CCOCC2)cc1 ZINC001219035516 1224308413 /nfs/dbraw/zinc/30/84/13/1224308413.db2.gz CBTJRFOXTDSUHW-GOSISDBHSA-N 2 2 362.474 0.933 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000911068581 1195885491 /nfs/dbraw/zinc/88/54/91/1195885491.db2.gz YESLLJBNPXGWEB-KZNAEPCWSA-N 2 2 374.485 0.200 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644593 1195932524 /nfs/dbraw/zinc/93/25/24/1195932524.db2.gz NGSUWBYXWOHAHJ-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644593 1195932527 /nfs/dbraw/zinc/93/25/27/1195932527.db2.gz NGSUWBYXWOHAHJ-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911368870 1195949805 /nfs/dbraw/zinc/94/98/05/1195949805.db2.gz UWJGBVWIHZQAGF-RCCFBDPRSA-N 2 2 367.453 0.809 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1=O ZINC000155987266 1196326268 /nfs/dbraw/zinc/32/62/68/1196326268.db2.gz IAGMZCFLSQTMOH-INIZCTEOSA-N 2 2 355.442 0.899 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000912538421 1196350213 /nfs/dbraw/zinc/35/02/13/1196350213.db2.gz TWAHMLXRSDOEGY-INIZCTEOSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000912538421 1196350218 /nfs/dbraw/zinc/35/02/18/1196350218.db2.gz TWAHMLXRSDOEGY-INIZCTEOSA-N 2 2 367.490 0.585 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000991443406 1196422957 /nfs/dbraw/zinc/42/29/57/1196422957.db2.gz XOHOJPMHDDAKLQ-HZPDHXFCSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1cc([C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC[NH2+]2)cn1 ZINC000913469987 1196440580 /nfs/dbraw/zinc/44/05/80/1196440580.db2.gz VINNTGHXKPKOGU-QGZVFWFLSA-N 2 2 361.490 0.928 20 0 FCADLP NC(=O)C1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001219088535 1224348692 /nfs/dbraw/zinc/34/86/92/1224348692.db2.gz YCLALKNEHWALES-AWEZNQCLSA-N 2 2 356.430 0.620 20 0 FCADLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000057171868 1196501215 /nfs/dbraw/zinc/50/12/15/1196501215.db2.gz IRULDEYAIMGBEL-UHFFFAOYSA-N 2 2 368.481 0.775 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219130718 1224363378 /nfs/dbraw/zinc/36/33/78/1224363378.db2.gz ULDGBGPGMVIJTE-UHFFFAOYSA-N 2 2 364.421 0.574 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088857225 1196803920 /nfs/dbraw/zinc/80/39/20/1196803920.db2.gz HFZPBVJYUMPCJL-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088857225 1196803921 /nfs/dbraw/zinc/80/39/21/1196803921.db2.gz HFZPBVJYUMPCJL-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001088857225 1196803923 /nfs/dbraw/zinc/80/39/23/1196803923.db2.gz HFZPBVJYUMPCJL-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001088857225 1196803925 /nfs/dbraw/zinc/80/39/25/1196803925.db2.gz HFZPBVJYUMPCJL-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088981814 1196855956 /nfs/dbraw/zinc/85/59/56/1196855956.db2.gz NLKSOVUXMZMEOD-DOMZBBRYSA-N 2 2 369.429 0.078 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088981814 1196855957 /nfs/dbraw/zinc/85/59/57/1196855957.db2.gz NLKSOVUXMZMEOD-DOMZBBRYSA-N 2 2 369.429 0.078 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038191 1196871879 /nfs/dbraw/zinc/87/18/79/1196871879.db2.gz IUSKRGQEGIBTBF-CABCVRRESA-N 2 2 363.510 0.645 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089038191 1196871883 /nfs/dbraw/zinc/87/18/83/1196871883.db2.gz IUSKRGQEGIBTBF-CABCVRRESA-N 2 2 363.510 0.645 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038612 1196872704 /nfs/dbraw/zinc/87/27/04/1196872704.db2.gz DOBRXKVQFMFWLO-NFAWXSAZSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038612 1196872707 /nfs/dbraw/zinc/87/27/07/1196872707.db2.gz DOBRXKVQFMFWLO-NFAWXSAZSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038612 1196872708 /nfs/dbraw/zinc/87/27/08/1196872708.db2.gz DOBRXKVQFMFWLO-NFAWXSAZSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038612 1196872709 /nfs/dbraw/zinc/87/27/09/1196872709.db2.gz DOBRXKVQFMFWLO-NFAWXSAZSA-N 2 2 358.446 0.053 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052993 1196876779 /nfs/dbraw/zinc/87/67/79/1196876779.db2.gz HEPYRNQKEJIWMH-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052993 1196876780 /nfs/dbraw/zinc/87/67/80/1196876780.db2.gz HEPYRNQKEJIWMH-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052993 1196876784 /nfs/dbraw/zinc/87/67/84/1196876784.db2.gz HEPYRNQKEJIWMH-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052993 1196876785 /nfs/dbraw/zinc/87/67/85/1196876785.db2.gz HEPYRNQKEJIWMH-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP C[NH+]1CCC(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000992206843 1197018115 /nfs/dbraw/zinc/01/81/15/1197018115.db2.gz QFJKVCGXHNARAU-AHNOJICISA-N 2 2 359.474 0.866 20 0 FCADLP C[NH+]1CCC(C(=O)NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000992206843 1197018122 /nfs/dbraw/zinc/01/81/22/1197018122.db2.gz QFJKVCGXHNARAU-AHNOJICISA-N 2 2 359.474 0.866 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2cnn(C)c2)O1 ZINC001089191355 1197019439 /nfs/dbraw/zinc/01/94/39/1197019439.db2.gz AMNXJKLARUURJW-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2cnn(C)c2)O1 ZINC001089191355 1197019441 /nfs/dbraw/zinc/01/94/41/1197019441.db2.gz AMNXJKLARUURJW-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2cnn(C)c2)O1 ZINC001089191355 1197019445 /nfs/dbraw/zinc/01/94/45/1197019445.db2.gz AMNXJKLARUURJW-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2cnn(C)c2)O1 ZINC001089191355 1197019449 /nfs/dbraw/zinc/01/94/49/1197019449.db2.gz AMNXJKLARUURJW-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992238205 1197029260 /nfs/dbraw/zinc/02/92/60/1197029260.db2.gz DBNZKEVVPNETRF-GTACMHHNSA-N 2 2 359.474 0.725 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992238205 1197029264 /nfs/dbraw/zinc/02/92/64/1197029264.db2.gz DBNZKEVVPNETRF-GTACMHHNSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001691639820 1197051154 /nfs/dbraw/zinc/05/11/54/1197051154.db2.gz KYNLBZJXDOBGPV-LSDHHAIUSA-N 2 2 351.451 0.475 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001691640746 1197091853 /nfs/dbraw/zinc/09/18/53/1197091853.db2.gz RLEFJTCFLLFNKU-DLBZAZTESA-N 2 2 361.490 0.882 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000914028996 1197207012 /nfs/dbraw/zinc/20/70/12/1197207012.db2.gz IXHJVGWWDCJVJH-KRWDZBQOSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000914028996 1197207017 /nfs/dbraw/zinc/20/70/17/1197207017.db2.gz IXHJVGWWDCJVJH-KRWDZBQOSA-N 2 2 359.474 0.578 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C(F)F ZINC001272520094 1197247240 /nfs/dbraw/zinc/24/72/40/1197247240.db2.gz FXFOQPNSZZDJKC-IJLUTSLNSA-N 2 2 368.388 0.382 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001272541169 1197278455 /nfs/dbraw/zinc/27/84/55/1197278455.db2.gz VDGZKGGNCAEJGL-HNNXBMFYSA-N 2 2 357.458 0.640 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001106143504 1197307739 /nfs/dbraw/zinc/30/77/39/1197307739.db2.gz DCLXRDBLIPUTOT-QBPKDAKJSA-N 2 2 373.501 0.584 20 0 FCADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153547 1197315005 /nfs/dbraw/zinc/31/50/05/1197315005.db2.gz HVGPRQLVMLQLDE-QLFBSQMISA-N 2 2 361.490 0.581 20 0 FCADLP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001219262564 1224407470 /nfs/dbraw/zinc/40/74/70/1224407470.db2.gz ZEDHCINEYYGDFG-OCCSQVGLSA-N 2 2 359.430 0.479 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000992844659 1197549969 /nfs/dbraw/zinc/54/99/69/1197549969.db2.gz MCKYWLLGXJTKSD-HNAYVOBHSA-N 2 2 371.485 0.745 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992946073 1197625573 /nfs/dbraw/zinc/62/55/73/1197625573.db2.gz FRXPHVZGKBKNRT-BEFAXECRSA-N 2 2 359.474 0.663 20 0 FCADLP C[C@@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000992959787 1197630954 /nfs/dbraw/zinc/63/09/54/1197630954.db2.gz LGBHHKJKTADFLR-GUXCAODWSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276228 1197742830 /nfs/dbraw/zinc/74/28/30/1197742830.db2.gz WWAKLSDKFOFKQY-SJLPKXTDSA-N 2 2 367.538 0.565 20 0 FCADLP COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277097 1197743298 /nfs/dbraw/zinc/74/32/98/1197743298.db2.gz XSEZHLOQMZZRJJ-HUUCEWRRSA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277097 1197743305 /nfs/dbraw/zinc/74/33/05/1197743305.db2.gz XSEZHLOQMZZRJJ-HUUCEWRRSA-N 2 2 367.494 0.685 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C[NH+](C)C)on2)n1 ZINC001085253012 1197751752 /nfs/dbraw/zinc/75/17/52/1197751752.db2.gz RKMXLWVZTCMJMP-HUUCEWRRSA-N 2 2 361.450 0.696 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)c1cccc2[nH+]ccn21 ZINC001085272323 1197776079 /nfs/dbraw/zinc/77/60/79/1197776079.db2.gz YTZSUKXACVSTSV-HUUCEWRRSA-N 2 2 370.457 0.990 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085308996 1197811587 /nfs/dbraw/zinc/81/15/87/1197811587.db2.gz SNLDGTJNTIFOGZ-BRWVUGGUSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085308996 1197811594 /nfs/dbraw/zinc/81/15/94/1197811594.db2.gz SNLDGTJNTIFOGZ-BRWVUGGUSA-N 2 2 364.494 0.441 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)ccn1 ZINC001083727328 1197834187 /nfs/dbraw/zinc/83/41/87/1197834187.db2.gz XMGZSNIYEVQZRO-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)ccn1 ZINC001083727328 1197834188 /nfs/dbraw/zinc/83/41/88/1197834188.db2.gz XMGZSNIYEVQZRO-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)ccn1 ZINC001083727328 1197834189 /nfs/dbraw/zinc/83/41/89/1197834189.db2.gz XMGZSNIYEVQZRO-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)ccn1 ZINC001083727328 1197834190 /nfs/dbraw/zinc/83/41/90/1197834190.db2.gz XMGZSNIYEVQZRO-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357959 1224440259 /nfs/dbraw/zinc/44/02/59/1224440259.db2.gz RLSVFGJDSNILBF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357959 1224440262 /nfs/dbraw/zinc/44/02/62/1224440262.db2.gz RLSVFGJDSNILBF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357959 1224440269 /nfs/dbraw/zinc/44/02/69/1224440269.db2.gz RLSVFGJDSNILBF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001219357959 1224440274 /nfs/dbraw/zinc/44/02/74/1224440274.db2.gz RLSVFGJDSNILBF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001085394463 1197862852 /nfs/dbraw/zinc/86/28/52/1197862852.db2.gz MIDGDJOJOIFRNU-FVQBIDKESA-N 2 2 357.462 0.759 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)n1 ZINC001085394532 1197862913 /nfs/dbraw/zinc/86/29/13/1197862913.db2.gz PWJOOQGARKNECJ-IAGOWNOFSA-N 2 2 359.478 0.888 20 0 FCADLP CC(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085394644 1197863561 /nfs/dbraw/zinc/86/35/61/1197863561.db2.gz WARNEUWXIVPWQZ-HUUCEWRRSA-N 2 2 360.466 0.747 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106333789 1197869197 /nfs/dbraw/zinc/86/91/97/1197869197.db2.gz RFOGHHRSENDIKW-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106343938 1197872193 /nfs/dbraw/zinc/87/21/93/1197872193.db2.gz NRZRFUXBCYWIAY-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993158323 1197903976 /nfs/dbraw/zinc/90/39/76/1197903976.db2.gz ULQODYOYUCSWKE-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993158323 1197903981 /nfs/dbraw/zinc/90/39/81/1197903981.db2.gz ULQODYOYUCSWKE-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1)C1CCCC1 ZINC001273339751 1197931216 /nfs/dbraw/zinc/93/12/16/1197931216.db2.gz WMPDLSYTZLMXAA-HDICACEKSA-N 2 2 361.490 0.669 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1)C1CCCC1 ZINC001273339751 1197931225 /nfs/dbraw/zinc/93/12/25/1197931225.db2.gz WMPDLSYTZLMXAA-HDICACEKSA-N 2 2 361.490 0.669 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106461630 1197941848 /nfs/dbraw/zinc/94/18/48/1197941848.db2.gz HFJJFJUUYVCRPG-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461746 1197943998 /nfs/dbraw/zinc/94/39/98/1197943998.db2.gz LSPNNBIFDPYECF-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@@H]1O)CC2 ZINC001083731993 1198005131 /nfs/dbraw/zinc/00/51/31/1198005131.db2.gz YKMWCXLEORREAD-UHOSZYNNSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@@H]1O)CC2 ZINC001083731993 1198005141 /nfs/dbraw/zinc/00/51/41/1198005141.db2.gz YKMWCXLEORREAD-UHOSZYNNSA-N 2 2 369.469 0.819 20 0 FCADLP Cn1cc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001086201259 1198248990 /nfs/dbraw/zinc/24/89/90/1198248990.db2.gz QTLFGGYLCPKHMP-YYIAUSFCSA-N 2 2 356.474 0.984 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C ZINC001086202425 1198253510 /nfs/dbraw/zinc/25/35/10/1198253510.db2.gz YOTDPYMGGIOJCS-ODXJTPSBSA-N 2 2 358.450 0.293 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001086371566 1198333425 /nfs/dbraw/zinc/33/34/25/1198333425.db2.gz NSTQZMBHGOUSAH-KBUPBQIOSA-N 2 2 365.478 0.583 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001086371566 1198333431 /nfs/dbraw/zinc/33/34/31/1198333431.db2.gz NSTQZMBHGOUSAH-KBUPBQIOSA-N 2 2 365.478 0.583 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086399267 1198352596 /nfs/dbraw/zinc/35/25/96/1198352596.db2.gz VVRXJJQXTLMUMD-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086399267 1198352604 /nfs/dbraw/zinc/35/26/04/1198352604.db2.gz VVRXJJQXTLMUMD-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP C[C@H](C(=O)N1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)n1cc[nH+]c1 ZINC001273429931 1198366354 /nfs/dbraw/zinc/36/63/54/1198366354.db2.gz VVQHJCSEWVBFLV-ZBFHGGJFSA-N 2 2 359.474 0.845 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@]1(C)COCC[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504670 1224491009 /nfs/dbraw/zinc/49/10/09/1224491009.db2.gz WASCSTWCWJQHAQ-ZWKOTPCHSA-N 2 2 360.414 0.195 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219552823 1224506395 /nfs/dbraw/zinc/50/63/95/1224506395.db2.gz KPYGIBBFKZUIHU-PMPSAXMXSA-N 2 2 362.405 0.376 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001219552823 1224506401 /nfs/dbraw/zinc/50/64/01/1224506401.db2.gz KPYGIBBFKZUIHU-PMPSAXMXSA-N 2 2 362.405 0.376 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001086482406 1198956022 /nfs/dbraw/zinc/95/60/22/1198956022.db2.gz DNDFNTKDCWELTP-MUIFIZLQSA-N 2 2 356.474 0.984 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129370103 1199127758 /nfs/dbraw/zinc/12/77/58/1199127758.db2.gz NHGCIEVZQACROS-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129370103 1199127767 /nfs/dbraw/zinc/12/77/67/1199127767.db2.gz NHGCIEVZQACROS-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129370103 1199127777 /nfs/dbraw/zinc/12/77/77/1199127777.db2.gz NHGCIEVZQACROS-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129370103 1199127780 /nfs/dbraw/zinc/12/77/80/1199127780.db2.gz NHGCIEVZQACROS-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662429 1224546994 /nfs/dbraw/zinc/54/69/94/1224546994.db2.gz GKGBRNVDUBCJFD-SJORKVTESA-N 2 2 364.490 0.740 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662429 1224546998 /nfs/dbraw/zinc/54/69/98/1224546998.db2.gz GKGBRNVDUBCJFD-SJORKVTESA-N 2 2 364.490 0.740 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219662206 1224548204 /nfs/dbraw/zinc/54/82/04/1224548204.db2.gz FFXDQMJKLDBVPT-BMFZPTHFSA-N 2 2 360.462 0.492 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001219662206 1224548211 /nfs/dbraw/zinc/54/82/11/1224548211.db2.gz FFXDQMJKLDBVPT-BMFZPTHFSA-N 2 2 360.462 0.492 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@@H]1O ZINC001219665323 1224548726 /nfs/dbraw/zinc/54/87/26/1224548726.db2.gz GHUIWXMEWJQHPI-OAGGEKHMSA-N 2 2 368.478 0.221 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@@H]1O ZINC001219665323 1224548734 /nfs/dbraw/zinc/54/87/34/1224548734.db2.gz GHUIWXMEWJQHPI-OAGGEKHMSA-N 2 2 368.478 0.221 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001219669371 1224550649 /nfs/dbraw/zinc/55/06/49/1224550649.db2.gz WDNIJVAHCLJKQF-UHFFFAOYSA-N 2 2 358.486 0.489 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C2)o1 ZINC001219731907 1224583054 /nfs/dbraw/zinc/58/30/54/1224583054.db2.gz JNCZWIMLQGFNAO-ZNMIVQPWSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C2)o1 ZINC001219731907 1224583060 /nfs/dbraw/zinc/58/30/60/1224583060.db2.gz JNCZWIMLQGFNAO-ZNMIVQPWSA-N 2 2 370.469 0.887 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400473 1200247345 /nfs/dbraw/zinc/24/73/45/1200247345.db2.gz HEOUBBYERXRXKZ-MQYQWHSLSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400473 1200247361 /nfs/dbraw/zinc/24/73/61/1200247361.db2.gz HEOUBBYERXRXKZ-MQYQWHSLSA-N 2 2 365.478 0.036 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410469 1200252716 /nfs/dbraw/zinc/25/27/16/1200252716.db2.gz DOVGOTVUGWZASX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410469 1200252725 /nfs/dbraw/zinc/25/27/25/1200252725.db2.gz DOVGOTVUGWZASX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410469 1200252729 /nfs/dbraw/zinc/25/27/29/1200252729.db2.gz DOVGOTVUGWZASX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410469 1200252735 /nfs/dbraw/zinc/25/27/35/1200252735.db2.gz DOVGOTVUGWZASX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462245 1200303157 /nfs/dbraw/zinc/30/31/57/1200303157.db2.gz HBJLGTWQHKFLGJ-MVJTYMMSSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462245 1200303162 /nfs/dbraw/zinc/30/31/62/1200303162.db2.gz HBJLGTWQHKFLGJ-MVJTYMMSSA-N 2 2 362.474 0.830 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109527455 1200363974 /nfs/dbraw/zinc/36/39/74/1200363974.db2.gz UWCMSVYBCDYJLC-ORQFMDKSSA-N 2 2 359.474 0.828 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109527455 1200363980 /nfs/dbraw/zinc/36/39/80/1200363980.db2.gz UWCMSVYBCDYJLC-ORQFMDKSSA-N 2 2 359.474 0.828 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648975 1200442502 /nfs/dbraw/zinc/44/25/02/1200442502.db2.gz MJKPTXSPLBGWHY-IKGGRYGDSA-N 2 2 362.518 0.918 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648975 1200442509 /nfs/dbraw/zinc/44/25/09/1200442509.db2.gz MJKPTXSPLBGWHY-IKGGRYGDSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)n1cc[nH+]c1 ZINC001109773067 1200514546 /nfs/dbraw/zinc/51/45/46/1200514546.db2.gz DKWBCWDCFOPOKC-XGUBFFRZSA-N 2 2 374.445 0.108 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)n1cc[nH+]c1 ZINC001109773067 1200514549 /nfs/dbraw/zinc/51/45/49/1200514549.db2.gz DKWBCWDCFOPOKC-XGUBFFRZSA-N 2 2 374.445 0.108 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)n1cc[nH+]c1 ZINC001109773066 1200515205 /nfs/dbraw/zinc/51/52/05/1200515205.db2.gz DKWBCWDCFOPOKC-KBXIAJHMSA-N 2 2 374.445 0.108 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)n1cc[nH+]c1 ZINC001109773066 1200515208 /nfs/dbraw/zinc/51/52/08/1200515208.db2.gz DKWBCWDCFOPOKC-KBXIAJHMSA-N 2 2 374.445 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796512 1224616976 /nfs/dbraw/zinc/61/69/76/1224616976.db2.gz DZLABGXRMCVWJY-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796512 1224616982 /nfs/dbraw/zinc/61/69/82/1224616982.db2.gz DZLABGXRMCVWJY-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219796512 1224616986 /nfs/dbraw/zinc/61/69/86/1224616986.db2.gz DZLABGXRMCVWJY-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001219796512 1224616989 /nfs/dbraw/zinc/61/69/89/1224616989.db2.gz DZLABGXRMCVWJY-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109844860 1200558596 /nfs/dbraw/zinc/55/85/96/1200558596.db2.gz KYCSQTSUBQDCGA-FXUDXRNXSA-N 2 2 373.457 0.498 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001109844860 1200558600 /nfs/dbraw/zinc/55/86/00/1200558600.db2.gz KYCSQTSUBQDCGA-FXUDXRNXSA-N 2 2 373.457 0.498 20 0 FCADLP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2)C1CC1 ZINC001109847679 1200560132 /nfs/dbraw/zinc/56/01/32/1200560132.db2.gz BYEXEBOWAVUHQX-IKGGRYGDSA-N 2 2 364.490 0.051 20 0 FCADLP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2)C1CC1 ZINC001109847679 1200560136 /nfs/dbraw/zinc/56/01/36/1200560136.db2.gz BYEXEBOWAVUHQX-IKGGRYGDSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219800496 1224619227 /nfs/dbraw/zinc/61/92/27/1224619227.db2.gz OMCYOKAPRQNMCA-KFWWJZLASA-N 2 2 371.432 0.020 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001219800496 1224619231 /nfs/dbraw/zinc/61/92/31/1224619231.db2.gz OMCYOKAPRQNMCA-KFWWJZLASA-N 2 2 371.432 0.020 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219800552 1224619792 /nfs/dbraw/zinc/61/97/92/1224619792.db2.gz RAVPKGUDTOMMLR-QRVBRYPASA-N 2 2 371.485 0.483 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)c1 ZINC001219800552 1224619796 /nfs/dbraw/zinc/61/97/96/1224619796.db2.gz RAVPKGUDTOMMLR-QRVBRYPASA-N 2 2 371.485 0.483 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902424 1200600383 /nfs/dbraw/zinc/60/03/83/1200600383.db2.gz HRQLOECSPTVJHX-JLSDUUJJSA-N 2 2 361.490 0.752 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902424 1200600390 /nfs/dbraw/zinc/60/03/90/1200600390.db2.gz HRQLOECSPTVJHX-JLSDUUJJSA-N 2 2 361.490 0.752 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC001109922985 1200612054 /nfs/dbraw/zinc/61/20/54/1200612054.db2.gz XQYHRIZDIPTCPE-RYRKJORJSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC001109922985 1200612061 /nfs/dbraw/zinc/61/20/61/1200612061.db2.gz XQYHRIZDIPTCPE-RYRKJORJSA-N 2 2 371.441 0.611 20 0 FCADLP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800726 1224621455 /nfs/dbraw/zinc/62/14/55/1224621455.db2.gz VIDPCEIMROTCBD-JACAYTRUSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800726 1224621463 /nfs/dbraw/zinc/62/14/63/1224621463.db2.gz VIDPCEIMROTCBD-JACAYTRUSA-N 2 2 363.506 0.721 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CC1 ZINC001219804025 1224622874 /nfs/dbraw/zinc/62/28/74/1224622874.db2.gz LDIRMDFFWCZASR-IXDOHACOSA-N 2 2 363.506 0.640 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CC1 ZINC001219804025 1224622878 /nfs/dbraw/zinc/62/28/78/1224622878.db2.gz LDIRMDFFWCZASR-IXDOHACOSA-N 2 2 363.506 0.640 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804324 1224624118 /nfs/dbraw/zinc/62/41/18/1224624118.db2.gz SGQLYDKQKHHYAJ-SOLBZPMBSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804324 1224624126 /nfs/dbraw/zinc/62/41/26/1224624126.db2.gz SGQLYDKQKHHYAJ-SOLBZPMBSA-N 2 2 368.522 0.137 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804330 1224624296 /nfs/dbraw/zinc/62/42/96/1224624296.db2.gz SMMRVVLZBNXQBO-SQNIBIBYSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804330 1224624299 /nfs/dbraw/zinc/62/42/99/1224624299.db2.gz SMMRVVLZBNXQBO-SQNIBIBYSA-N 2 2 363.506 0.774 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980686 1200664916 /nfs/dbraw/zinc/66/49/16/1200664916.db2.gz WKIGTTCUTNVUNI-YVSFHVDLSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980686 1200664927 /nfs/dbraw/zinc/66/49/27/1200664927.db2.gz WKIGTTCUTNVUNI-YVSFHVDLSA-N 2 2 368.522 0.591 20 0 FCADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)NCc1noc2c1C[NH2+]CC2 ZINC001219809667 1224628496 /nfs/dbraw/zinc/62/84/96/1224628496.db2.gz PTGZEMOPJHOUIU-INIZCTEOSA-N 2 2 369.469 0.801 20 0 FCADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)NCc1noc2c1C[NH2+]CC2 ZINC001219809667 1224628499 /nfs/dbraw/zinc/62/84/99/1224628499.db2.gz PTGZEMOPJHOUIU-INIZCTEOSA-N 2 2 369.469 0.801 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c2c([nH+]1)CCCC2 ZINC001090440430 1200832441 /nfs/dbraw/zinc/83/24/41/1200832441.db2.gz VZWKMSWDYBCFFL-IAGOWNOFSA-N 2 2 361.490 0.670 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c2c([nH+]1)CCCC2 ZINC001090440430 1200832443 /nfs/dbraw/zinc/83/24/43/1200832443.db2.gz VZWKMSWDYBCFFL-IAGOWNOFSA-N 2 2 361.490 0.670 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000746630968 1200866441 /nfs/dbraw/zinc/86/64/41/1200866441.db2.gz FWCQYGQQVYQDEA-INIZCTEOSA-N 2 2 358.446 0.822 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000746630968 1200866445 /nfs/dbraw/zinc/86/64/45/1200866445.db2.gz FWCQYGQQVYQDEA-INIZCTEOSA-N 2 2 358.446 0.822 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000789752621 1201028476 /nfs/dbraw/zinc/02/84/76/1201028476.db2.gz JSIRTHDSMVOBIS-GDBMZVCRSA-N 2 2 363.462 0.147 20 0 FCADLP O=C1CCCN1C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364064 1201068572 /nfs/dbraw/zinc/06/85/72/1201068572.db2.gz WTQPJXZTZKYAMH-LJQANCHMSA-N 2 2 362.474 0.947 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086599203 1201145721 /nfs/dbraw/zinc/14/57/21/1201145721.db2.gz BCIIQXCEMBTGNL-HYVNUMGLSA-N 2 2 355.442 0.650 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086599203 1201145726 /nfs/dbraw/zinc/14/57/26/1201145726.db2.gz BCIIQXCEMBTGNL-HYVNUMGLSA-N 2 2 355.442 0.650 20 0 FCADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001219853331 1224655365 /nfs/dbraw/zinc/65/53/65/1224655365.db2.gz PZXLHYJBRCSUPO-IKGGRYGDSA-N 2 2 360.462 0.528 20 0 FCADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001219853331 1224655366 /nfs/dbraw/zinc/65/53/66/1224655366.db2.gz PZXLHYJBRCSUPO-IKGGRYGDSA-N 2 2 360.462 0.528 20 0 FCADLP CC[C@@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCO1 ZINC001170193703 1201199682 /nfs/dbraw/zinc/19/96/82/1201199682.db2.gz RZNICEVEGVJORL-OJLVUWQFSA-N 2 2 363.462 0.359 20 0 FCADLP CN(C(=O)C(=O)Nc1cccc(F)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793046326 1201223498 /nfs/dbraw/zinc/22/34/98/1201223498.db2.gz HTNMHLOGSWDVBF-CQSZACIVSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1cccc(F)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793046326 1201223504 /nfs/dbraw/zinc/22/35/04/1201223504.db2.gz HTNMHLOGSWDVBF-CQSZACIVSA-N 2 2 363.437 0.786 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129403605 1201307689 /nfs/dbraw/zinc/30/76/89/1201307689.db2.gz FJTPLHGDWKVNGL-MAZHCROVSA-N 2 2 361.450 0.055 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129403605 1201307699 /nfs/dbraw/zinc/30/76/99/1201307699.db2.gz FJTPLHGDWKVNGL-MAZHCROVSA-N 2 2 361.450 0.055 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129433884 1201314799 /nfs/dbraw/zinc/31/47/99/1201314799.db2.gz XQVOZHXRACQPIG-CVEARBPZSA-N 2 2 361.450 0.250 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129433884 1201314806 /nfs/dbraw/zinc/31/48/06/1201314806.db2.gz XQVOZHXRACQPIG-CVEARBPZSA-N 2 2 361.450 0.250 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001219877738 1224668478 /nfs/dbraw/zinc/66/84/78/1224668478.db2.gz PTCIYQULTQOXFV-SJORKVTESA-N 2 2 362.474 0.101 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001219877738 1224668482 /nfs/dbraw/zinc/66/84/82/1224668482.db2.gz PTCIYQULTQOXFV-SJORKVTESA-N 2 2 362.474 0.101 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893814 1224671975 /nfs/dbraw/zinc/67/19/75/1224671975.db2.gz NKZTXAHKZFDWQL-JQHSSLGASA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893814 1224671979 /nfs/dbraw/zinc/67/19/79/1224671979.db2.gz NKZTXAHKZFDWQL-JQHSSLGASA-N 2 2 364.490 0.670 20 0 FCADLP CN(Cc1ccccc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891924 1201415355 /nfs/dbraw/zinc/41/53/55/1201415355.db2.gz YFKCJXCOQBLHQY-HZPDHXFCSA-N 2 2 355.442 0.878 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129918765 1201441049 /nfs/dbraw/zinc/44/10/49/1201441049.db2.gz IAISAHRZDFPRDP-IMJJTQAJSA-N 2 2 361.425 0.438 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219903338 1224675877 /nfs/dbraw/zinc/67/58/77/1224675877.db2.gz YRVNXNHCIZEOII-CVEARBPZSA-N 2 2 370.538 0.523 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219903338 1224675881 /nfs/dbraw/zinc/67/58/81/1224675881.db2.gz YRVNXNHCIZEOII-CVEARBPZSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219903338 1224675884 /nfs/dbraw/zinc/67/58/84/1224675884.db2.gz YRVNXNHCIZEOII-CVEARBPZSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001219903338 1224675886 /nfs/dbraw/zinc/67/58/86/1224675886.db2.gz YRVNXNHCIZEOII-CVEARBPZSA-N 2 2 370.538 0.523 20 0 FCADLP CCCCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024174 1201479124 /nfs/dbraw/zinc/47/91/24/1201479124.db2.gz MDEZUDYDWAEERY-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2nocc2C)[C@@H](n2ccnn2)C1 ZINC001130047828 1201486293 /nfs/dbraw/zinc/48/62/93/1201486293.db2.gz VSNWEIYEDLXWML-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC(C)COCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130057364 1201492248 /nfs/dbraw/zinc/49/22/48/1201492248.db2.gz XORGIRYBNRDBLU-CABCVRRESA-N 2 2 361.450 0.258 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2n2ccnn2)on1 ZINC001130137104 1201514384 /nfs/dbraw/zinc/51/43/84/1201514384.db2.gz IUVHEFKKRKFOBF-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2n2ccnn2)on1 ZINC001130137104 1201514388 /nfs/dbraw/zinc/51/43/88/1201514388.db2.gz IUVHEFKKRKFOBF-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919726 1224680789 /nfs/dbraw/zinc/68/07/89/1224680789.db2.gz KQRYNCKEKQGBFV-QGTPRVQTSA-N 2 2 370.457 0.620 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919726 1224680793 /nfs/dbraw/zinc/68/07/93/1224680793.db2.gz KQRYNCKEKQGBFV-QGTPRVQTSA-N 2 2 370.457 0.620 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC[N@@H+]1C ZINC001130213046 1201545336 /nfs/dbraw/zinc/54/53/36/1201545336.db2.gz QWUAAQZWPQAWJP-MQYQWHSLSA-N 2 2 368.457 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CC[N@H+]1C ZINC001130213046 1201545339 /nfs/dbraw/zinc/54/53/39/1201545339.db2.gz QWUAAQZWPQAWJP-MQYQWHSLSA-N 2 2 368.457 0.193 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1)[NH+](C)C ZINC001130238063 1201562222 /nfs/dbraw/zinc/56/22/22/1201562222.db2.gz REEUHMHARJRNFG-KKUMJFAQSA-N 2 2 364.494 0.633 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949478 1224695131 /nfs/dbraw/zinc/69/51/31/1224695131.db2.gz GIOYTUCFSTZVNS-PMPSAXMXSA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949478 1224695134 /nfs/dbraw/zinc/69/51/34/1224695134.db2.gz GIOYTUCFSTZVNS-PMPSAXMXSA-N 2 2 359.430 0.153 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)C[NH2+]1 ZINC001219965045 1224704682 /nfs/dbraw/zinc/70/46/82/1224704682.db2.gz ARULDGJIBQFJHU-KBMXLJTQSA-N 2 2 363.458 0.753 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130574003 1202721110 /nfs/dbraw/zinc/72/11/10/1202721110.db2.gz KBWHRTUZWVBMLN-GOEBONIOSA-N 2 2 360.462 0.697 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130576546 1202722049 /nfs/dbraw/zinc/72/20/49/1202722049.db2.gz SIOTWBJYXFQJRG-IJEWVQPXSA-N 2 2 360.462 0.695 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669527 1202751426 /nfs/dbraw/zinc/75/14/26/1202751426.db2.gz GDZAURFUTFYTOX-XJKSGUPXSA-N 2 2 361.450 0.147 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130674716 1202752231 /nfs/dbraw/zinc/75/22/31/1202752231.db2.gz BTPIOOYATIJAOY-PNBKFKSVSA-N 2 2 372.473 0.488 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739671 1202771162 /nfs/dbraw/zinc/77/11/62/1202771162.db2.gz JLDWADFFRLJQTP-YQQAZPJKSA-N 2 2 360.462 0.362 20 0 FCADLP C[N@H+](CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)C1CCC1 ZINC001130790191 1202798658 /nfs/dbraw/zinc/79/86/58/1202798658.db2.gz LZQKTEUXXODVMC-UONOGXRCSA-N 2 2 368.457 0.684 20 0 FCADLP C[N@@H+](CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)C1CCC1 ZINC001130790191 1202798662 /nfs/dbraw/zinc/79/86/62/1202798662.db2.gz LZQKTEUXXODVMC-UONOGXRCSA-N 2 2 368.457 0.684 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130809039 1202801713 /nfs/dbraw/zinc/80/17/13/1202801713.db2.gz DJSCOCQHOXHFMA-HZSPNIEDSA-N 2 2 368.457 0.542 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)C1 ZINC001130809039 1202801716 /nfs/dbraw/zinc/80/17/16/1202801716.db2.gz DJSCOCQHOXHFMA-HZSPNIEDSA-N 2 2 368.457 0.542 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130809352 1202802136 /nfs/dbraw/zinc/80/21/36/1202802136.db2.gz TVBQXCBDDYIKFN-HZSPNIEDSA-N 2 2 368.457 0.684 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130809352 1202802137 /nfs/dbraw/zinc/80/21/37/1202802137.db2.gz TVBQXCBDDYIKFN-HZSPNIEDSA-N 2 2 368.457 0.684 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809137 1202802418 /nfs/dbraw/zinc/80/24/18/1202802418.db2.gz IRUAKPXQQVOXRF-QLFBSQMISA-N 2 2 364.494 0.981 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809137 1202802419 /nfs/dbraw/zinc/80/24/19/1202802419.db2.gz IRUAKPXQQVOXRF-QLFBSQMISA-N 2 2 364.494 0.981 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cc3c[nH+]cn3C)n2)O1 ZINC001130816175 1202807374 /nfs/dbraw/zinc/80/73/74/1202807374.db2.gz NWXLGTDVNCVVTA-UONOGXRCSA-N 2 2 361.450 0.615 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078004 1224747765 /nfs/dbraw/zinc/74/77/65/1224747765.db2.gz FOLBGYXMSWCVGG-SJORKVTESA-N 2 2 361.490 0.711 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078004 1224747772 /nfs/dbraw/zinc/74/77/72/1224747772.db2.gz FOLBGYXMSWCVGG-SJORKVTESA-N 2 2 361.490 0.711 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078448 1224748379 /nfs/dbraw/zinc/74/83/79/1224748379.db2.gz QZSZRBDWNKPKTH-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078448 1224748387 /nfs/dbraw/zinc/74/83/87/1224748387.db2.gz QZSZRBDWNKPKTH-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086666126 1202888936 /nfs/dbraw/zinc/88/89/36/1202888936.db2.gz ZGOCYSFDAPAIEG-UXLLHSPISA-N 2 2 364.494 0.312 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086666126 1202888938 /nfs/dbraw/zinc/88/89/38/1202888938.db2.gz ZGOCYSFDAPAIEG-UXLLHSPISA-N 2 2 364.494 0.312 20 0 FCADLP CCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001131366813 1202889592 /nfs/dbraw/zinc/88/95/92/1202889592.db2.gz FCFHFDHNTPDAOG-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001131366813 1202889596 /nfs/dbraw/zinc/88/95/96/1202889596.db2.gz FCFHFDHNTPDAOG-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131366813 1202889598 /nfs/dbraw/zinc/88/95/98/1202889598.db2.gz FCFHFDHNTPDAOG-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131366813 1202889599 /nfs/dbraw/zinc/88/95/99/1202889599.db2.gz FCFHFDHNTPDAOG-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000808729207 1202896604 /nfs/dbraw/zinc/89/66/04/1202896604.db2.gz IECRKUTZULQBIV-AZUAARDMSA-N 2 2 361.486 0.867 20 0 FCADLP O[C@@H]1c2ccccc2OC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000808729214 1202896623 /nfs/dbraw/zinc/89/66/23/1202896623.db2.gz IECRKUTZULQBIV-UYAOXDASSA-N 2 2 361.486 0.867 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001131510657 1202905216 /nfs/dbraw/zinc/90/52/16/1202905216.db2.gz VVLMEXNQFHWUFO-QAPCUYQASA-N 2 2 363.462 0.074 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001131510657 1202905220 /nfs/dbraw/zinc/90/52/20/1202905220.db2.gz VVLMEXNQFHWUFO-QAPCUYQASA-N 2 2 363.462 0.074 20 0 FCADLP CC(C)CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001134045527 1203010918 /nfs/dbraw/zinc/01/09/18/1203010918.db2.gz KEFMZXVGEGAOBO-HZPDHXFCSA-N 2 2 361.490 0.876 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001134042948 1203011045 /nfs/dbraw/zinc/01/10/45/1203011045.db2.gz NYLVFMLNFVNYOM-CHWSQXEVSA-N 2 2 360.466 0.214 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCCc1ccccc1 ZINC001134042363 1203011059 /nfs/dbraw/zinc/01/10/59/1203011059.db2.gz FWUCGPFRTNKKIP-IAGOWNOFSA-N 2 2 369.469 0.588 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001086737871 1203063876 /nfs/dbraw/zinc/06/38/76/1203063876.db2.gz ZVDZCKJUKSXGIE-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cc1cccc(OCC[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001220105584 1224765509 /nfs/dbraw/zinc/76/55/09/1224765509.db2.gz BQZNBDKEDCVHRX-MSOLQXFVSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001220105584 1224765517 /nfs/dbraw/zinc/76/55/17/1224765517.db2.gz BQZNBDKEDCVHRX-MSOLQXFVSA-N 2 2 358.442 0.822 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](NC(C)=O)C3)cc2)CC1 ZINC000817282925 1203099287 /nfs/dbraw/zinc/09/92/87/1203099287.db2.gz QRNQYSZXKKBLBN-SFHVURJKSA-N 2 2 373.501 0.977 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](NC(C)=O)C3)cc2)CC1 ZINC000817282925 1203099290 /nfs/dbraw/zinc/09/92/90/1203099290.db2.gz QRNQYSZXKKBLBN-SFHVURJKSA-N 2 2 373.501 0.977 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086806626 1203106481 /nfs/dbraw/zinc/10/64/81/1203106481.db2.gz FMZOEDAWDTVLSB-GBJTYRQASA-N 2 2 357.462 0.727 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086820076 1203136846 /nfs/dbraw/zinc/13/68/46/1203136846.db2.gz OWFFPTLDWQHCDC-XHSDSOJGSA-N 2 2 363.510 0.848 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086820076 1203136848 /nfs/dbraw/zinc/13/68/48/1203136848.db2.gz OWFFPTLDWQHCDC-XHSDSOJGSA-N 2 2 363.510 0.848 20 0 FCADLP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1)C(N)=O ZINC001086844000 1203203076 /nfs/dbraw/zinc/20/30/76/1203203076.db2.gz KRANDDVXBSEQEK-MELADBBJSA-N 2 2 356.430 0.629 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001090551494 1203214488 /nfs/dbraw/zinc/21/44/88/1203214488.db2.gz CBSUQWVEJXTWDU-BRWVUGGUSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001090551494 1203214489 /nfs/dbraw/zinc/21/44/89/1203214489.db2.gz CBSUQWVEJXTWDU-BRWVUGGUSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000822977414 1203243312 /nfs/dbraw/zinc/24/33/12/1203243312.db2.gz SMUALNURYPHAKA-TZMCWYRMSA-N 2 2 356.430 0.985 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090884244 1203331037 /nfs/dbraw/zinc/33/10/37/1203331037.db2.gz GBHCWDTYTIXCRA-DOTOQJQBSA-N 2 2 371.441 0.339 20 0 FCADLP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000844184300 1203338662 /nfs/dbraw/zinc/33/86/62/1203338662.db2.gz IGXWXZUFLVRIBE-MOPGFXCFSA-N 2 2 361.486 0.815 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C(C)C ZINC001220229157 1224810273 /nfs/dbraw/zinc/81/02/73/1224810273.db2.gz PVSKGXQHLREXBO-CVEARBPZSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1)C(C)C ZINC001220229157 1224810275 /nfs/dbraw/zinc/81/02/75/1224810275.db2.gz PVSKGXQHLREXBO-CVEARBPZSA-N 2 2 368.522 0.135 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220238020 1224812949 /nfs/dbraw/zinc/81/29/49/1224812949.db2.gz KDQZIQBJVWBBJY-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220238020 1224812953 /nfs/dbraw/zinc/81/29/53/1224812953.db2.gz KDQZIQBJVWBBJY-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845207065 1204481901 /nfs/dbraw/zinc/48/19/01/1204481901.db2.gz SMFQWMOBTUVJRD-HUUCEWRRSA-N 2 2 372.510 0.668 20 0 FCADLP Cn1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001091079752 1204493713 /nfs/dbraw/zinc/49/37/13/1204493713.db2.gz ZSCNXYVJYZHXBD-QDIHITRGSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001091079752 1204493715 /nfs/dbraw/zinc/49/37/15/1204493715.db2.gz ZSCNXYVJYZHXBD-QDIHITRGSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1 ZINC001091234608 1204631752 /nfs/dbraw/zinc/63/17/52/1204631752.db2.gz HWKRWQREZITILB-QDIHITRGSA-N 2 2 359.474 0.630 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369470 1224845755 /nfs/dbraw/zinc/84/57/55/1224845755.db2.gz KIPQUFSJFXTAPH-OAGGEKHMSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369470 1224845759 /nfs/dbraw/zinc/84/57/59/1224845759.db2.gz KIPQUFSJFXTAPH-OAGGEKHMSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369470 1224845761 /nfs/dbraw/zinc/84/57/61/1224845761.db2.gz KIPQUFSJFXTAPH-OAGGEKHMSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369470 1224845764 /nfs/dbraw/zinc/84/57/64/1224845764.db2.gz KIPQUFSJFXTAPH-OAGGEKHMSA-N 2 2 370.538 0.430 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369674 1224845798 /nfs/dbraw/zinc/84/57/98/1224845798.db2.gz MZCUSLJBUWFMFL-PMPSAXMXSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369674 1224845800 /nfs/dbraw/zinc/84/58/00/1224845800.db2.gz MZCUSLJBUWFMFL-PMPSAXMXSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369674 1224845803 /nfs/dbraw/zinc/84/58/03/1224845803.db2.gz MZCUSLJBUWFMFL-PMPSAXMXSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369674 1224845808 /nfs/dbraw/zinc/84/58/08/1224845808.db2.gz MZCUSLJBUWFMFL-PMPSAXMXSA-N 2 2 368.522 0.135 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387201 1224852182 /nfs/dbraw/zinc/85/21/82/1224852182.db2.gz FIQBRKBEGBEDPQ-XYPHTWIQSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387201 1224852187 /nfs/dbraw/zinc/85/21/87/1224852187.db2.gz FIQBRKBEGBEDPQ-XYPHTWIQSA-N 2 2 366.462 0.145 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754177 1204844173 /nfs/dbraw/zinc/84/41/73/1204844173.db2.gz HMJAATYXUCZJGS-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754177 1204844174 /nfs/dbraw/zinc/84/41/74/1204844174.db2.gz HMJAATYXUCZJGS-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754177 1204844176 /nfs/dbraw/zinc/84/41/76/1204844176.db2.gz HMJAATYXUCZJGS-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754177 1204844178 /nfs/dbraw/zinc/84/41/78/1204844178.db2.gz HMJAATYXUCZJGS-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H]1CC12CCN(C(=O)Cc1cc[nH+]c(N)c1)CC2 ZINC001273449978 1204849251 /nfs/dbraw/zinc/84/92/51/1204849251.db2.gz MPFQJKBNRVKMTD-OAHLLOKOSA-N 2 2 359.474 0.513 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)o1 ZINC001086880746 1204856044 /nfs/dbraw/zinc/85/60/44/1204856044.db2.gz MVJUTYOPKHMSPD-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)o1 ZINC001086880746 1204856045 /nfs/dbraw/zinc/85/60/45/1204856045.db2.gz MVJUTYOPKHMSPD-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]C[C@@H]2CCOC2)cn1 ZINC001086999646 1204888713 /nfs/dbraw/zinc/88/87/13/1204888713.db2.gz OWJZPXIUAKLBBU-RRQGHBQHSA-N 2 2 358.446 0.306 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001087005452 1204892794 /nfs/dbraw/zinc/89/27/94/1204892794.db2.gz DBUIZKVRVHMMJT-VHDGCEQUSA-N 2 2 360.462 0.386 20 0 FCADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001087012013 1204898381 /nfs/dbraw/zinc/89/83/81/1204898381.db2.gz AMQFCOIFNCORJM-DLBZAZTESA-N 2 2 369.429 0.697 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001087012049 1204898506 /nfs/dbraw/zinc/89/85/06/1204898506.db2.gz CEPZRYRMOTVURV-ZWKOTPCHSA-N 2 2 365.441 0.796 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087038782 1204916892 /nfs/dbraw/zinc/91/68/92/1204916892.db2.gz ZBFOIODKNIREGX-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087038782 1204916899 /nfs/dbraw/zinc/91/68/99/1204916899.db2.gz ZBFOIODKNIREGX-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087049667 1204926431 /nfs/dbraw/zinc/92/64/31/1204926431.db2.gz UBYDNVGSJZGYTO-HZPDHXFCSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087070971 1204957998 /nfs/dbraw/zinc/95/79/98/1204957998.db2.gz SIMYUCCZLWUOCV-BZUAXINKSA-N 2 2 363.462 0.005 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001087071081 1204959575 /nfs/dbraw/zinc/95/95/75/1204959575.db2.gz YUROJFRITRIGCY-HUUCEWRRSA-N 2 2 361.450 0.055 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087071070 1204960135 /nfs/dbraw/zinc/96/01/35/1204960135.db2.gz YLGUMLKIVNZRNG-HUUCEWRRSA-N 2 2 361.450 0.353 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087059305 1204968124 /nfs/dbraw/zinc/96/81/24/1204968124.db2.gz YLBHYJUCJUXXTA-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087059305 1204968128 /nfs/dbraw/zinc/96/81/28/1204968128.db2.gz YLBHYJUCJUXXTA-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)o1 ZINC001087088338 1204977191 /nfs/dbraw/zinc/97/71/91/1204977191.db2.gz UMKPNOKMSAAKDC-UXIGCNINSA-N 2 2 362.434 0.858 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@H]1CCN(CC)C1=O ZINC001087093887 1204985864 /nfs/dbraw/zinc/98/58/64/1204985864.db2.gz IKNSBDNDMRLRAB-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001087093822 1204985989 /nfs/dbraw/zinc/98/59/89/1204985989.db2.gz DZAQWSWHMAGVJO-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@H](C)c1nncn1C ZINC001087094101 1204986544 /nfs/dbraw/zinc/98/65/44/1204986544.db2.gz REEAHLSWKUQVLT-MGPQQGTHSA-N 2 2 361.450 0.295 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087101679 1205000096 /nfs/dbraw/zinc/00/00/96/1205000096.db2.gz XEPIWKWLRPJZCK-GDBMZVCRSA-N 2 2 362.434 0.536 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)c1ncccn1 ZINC001087104245 1205001680 /nfs/dbraw/zinc/00/16/80/1205001680.db2.gz WYJGELYRWXFRQW-ARFHVFGLSA-N 2 2 358.446 0.887 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC001087103770 1205002261 /nfs/dbraw/zinc/00/22/61/1205002261.db2.gz ZQTGCZBXZJESGO-HUUCEWRRSA-N 2 2 361.450 0.148 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091798282 1205017216 /nfs/dbraw/zinc/01/72/16/1205017216.db2.gz ROLMVNSTWMEJJC-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091798282 1205017221 /nfs/dbraw/zinc/01/72/21/1205017221.db2.gz ROLMVNSTWMEJJC-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1)[NH+](C)C ZINC001091783149 1205027444 /nfs/dbraw/zinc/02/74/44/1205027444.db2.gz UIPXWLHUMXYVBK-LBTNJELSSA-N 2 2 363.462 0.734 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1)[NH+](C)C ZINC001091783149 1205027445 /nfs/dbraw/zinc/02/74/45/1205027445.db2.gz UIPXWLHUMXYVBK-LBTNJELSSA-N 2 2 363.462 0.734 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783008 1205027692 /nfs/dbraw/zinc/02/76/92/1205027692.db2.gz PWZYUBBKVCMOEP-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783008 1205027695 /nfs/dbraw/zinc/02/76/95/1205027695.db2.gz PWZYUBBKVCMOEP-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783008 1205027698 /nfs/dbraw/zinc/02/76/98/1205027698.db2.gz PWZYUBBKVCMOEP-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)o1 ZINC001091783008 1205027702 /nfs/dbraw/zinc/02/77/02/1205027702.db2.gz PWZYUBBKVCMOEP-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001091854644 1205050583 /nfs/dbraw/zinc/05/05/83/1205050583.db2.gz DDNRQMDGMBVCIM-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014944 1205115222 /nfs/dbraw/zinc/11/52/22/1205115222.db2.gz HJFVYQCETRHUPP-CLCXKQKWSA-N 2 2 359.474 0.280 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014944 1205115226 /nfs/dbraw/zinc/11/52/26/1205115226.db2.gz HJFVYQCETRHUPP-CLCXKQKWSA-N 2 2 359.474 0.280 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092136449 1205177711 /nfs/dbraw/zinc/17/77/11/1205177711.db2.gz VWWFTNRYHXAOOM-KKVAFCGZSA-N 2 2 371.485 0.886 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+]([C@@H]1CCN(C3CCC3)C1=O)C2 ZINC001092136449 1205177716 /nfs/dbraw/zinc/17/77/16/1205177716.db2.gz VWWFTNRYHXAOOM-KKVAFCGZSA-N 2 2 371.485 0.886 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092232513 1205204694 /nfs/dbraw/zinc/20/46/94/1205204694.db2.gz PFXICJFSVUSZBE-KDOFPFPSSA-N 2 2 360.462 0.066 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001092232513 1205204700 /nfs/dbraw/zinc/20/47/00/1205204700.db2.gz PFXICJFSVUSZBE-KDOFPFPSSA-N 2 2 360.462 0.066 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092232919 1205205222 /nfs/dbraw/zinc/20/52/22/1205205222.db2.gz FFCBXXLSZPOSIN-KSMMKXTCSA-N 2 2 359.474 0.708 20 0 FCADLP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)Nc1ccon1)C2 ZINC001092274418 1205221540 /nfs/dbraw/zinc/22/15/40/1205221540.db2.gz FGDKOKYJLKARBL-KDOFPFPSSA-N 2 2 361.446 0.489 20 0 FCADLP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)Nc1ccon1)C2 ZINC001092274418 1205221542 /nfs/dbraw/zinc/22/15/42/1205221542.db2.gz FGDKOKYJLKARBL-KDOFPFPSSA-N 2 2 361.446 0.489 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301499 1205234223 /nfs/dbraw/zinc/23/42/23/1205234223.db2.gz KQDIHGZCSVDUQC-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301499 1205234233 /nfs/dbraw/zinc/23/42/33/1205234233.db2.gz KQDIHGZCSVDUQC-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301499 1205234239 /nfs/dbraw/zinc/23/42/39/1205234239.db2.gz KQDIHGZCSVDUQC-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301499 1205234245 /nfs/dbraw/zinc/23/42/45/1205234245.db2.gz KQDIHGZCSVDUQC-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1Nc1ncccn1 ZINC001092314339 1205243748 /nfs/dbraw/zinc/24/37/48/1205243748.db2.gz GIGKMTRQYCFYHC-HUUCEWRRSA-N 2 2 357.462 0.958 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287196 1205253850 /nfs/dbraw/zinc/25/38/50/1205253850.db2.gz WZUOQUGYSWCBIP-SUMDDJOVSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287196 1205253854 /nfs/dbraw/zinc/25/38/54/1205253854.db2.gz WZUOQUGYSWCBIP-SUMDDJOVSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287196 1205253859 /nfs/dbraw/zinc/25/38/59/1205253859.db2.gz WZUOQUGYSWCBIP-SUMDDJOVSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287196 1205253862 /nfs/dbraw/zinc/25/38/62/1205253862.db2.gz WZUOQUGYSWCBIP-SUMDDJOVSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001092434914 1205279602 /nfs/dbraw/zinc/27/96/02/1205279602.db2.gz QYZHEYGYSDFZSF-ZIAGYGMSSA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092741701 1205349836 /nfs/dbraw/zinc/34/98/36/1205349836.db2.gz IWCCBWPBMXRNRZ-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092741701 1205349838 /nfs/dbraw/zinc/34/98/38/1205349838.db2.gz IWCCBWPBMXRNRZ-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092747569 1205350493 /nfs/dbraw/zinc/35/04/93/1205350493.db2.gz DJYYZQJJPBBCHZ-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092747569 1205350494 /nfs/dbraw/zinc/35/04/94/1205350494.db2.gz DJYYZQJJPBBCHZ-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001092747836 1205350659 /nfs/dbraw/zinc/35/06/59/1205350659.db2.gz HVXQXZUSQLPOFA-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001092747836 1205350660 /nfs/dbraw/zinc/35/06/60/1205350660.db2.gz HVXQXZUSQLPOFA-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753251 1205351298 /nfs/dbraw/zinc/35/12/98/1205351298.db2.gz CYQBXVPUIJFBCS-IOASZLSFSA-N 2 2 363.462 0.265 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753251 1205351300 /nfs/dbraw/zinc/35/13/00/1205351300.db2.gz CYQBXVPUIJFBCS-IOASZLSFSA-N 2 2 363.462 0.265 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478893 1224886713 /nfs/dbraw/zinc/88/67/13/1224886713.db2.gz OYGCQIKPQOBNEH-OIISXLGYSA-N 2 2 368.522 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478893 1224886715 /nfs/dbraw/zinc/88/67/15/1224886715.db2.gz OYGCQIKPQOBNEH-OIISXLGYSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)cc2)CC1 ZINC001220515664 1224899104 /nfs/dbraw/zinc/89/91/04/1224899104.db2.gz IQUIZMRZVZWWKS-KAVNZZFMSA-N 3 2 359.474 0.398 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931099 1205961436 /nfs/dbraw/zinc/96/14/36/1205961436.db2.gz DUIVAXYDUAAHAO-GDBMZVCRSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092931099 1205961438 /nfs/dbraw/zinc/96/14/38/1205961438.db2.gz DUIVAXYDUAAHAO-GDBMZVCRSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937503 1205962795 /nfs/dbraw/zinc/96/27/95/1205962795.db2.gz UAGZMQAXFIRXCR-UKRRQHHQSA-N 2 2 363.462 0.639 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092937503 1205962799 /nfs/dbraw/zinc/96/27/99/1205962799.db2.gz UAGZMQAXFIRXCR-UKRRQHHQSA-N 2 2 363.462 0.639 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001093020953 1205983954 /nfs/dbraw/zinc/98/39/54/1205983954.db2.gz FAYADBSBPMWGQJ-DMRZNYOFSA-N 2 2 369.473 0.929 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001093024849 1205986400 /nfs/dbraw/zinc/98/64/00/1205986400.db2.gz GQFNTSHMXMEQJE-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001093024849 1205986405 /nfs/dbraw/zinc/98/64/05/1205986405.db2.gz GQFNTSHMXMEQJE-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001093024849 1205986412 /nfs/dbraw/zinc/98/64/12/1205986412.db2.gz GQFNTSHMXMEQJE-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001093024849 1205986418 /nfs/dbraw/zinc/98/64/18/1205986418.db2.gz GQFNTSHMXMEQJE-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056622 1206003325 /nfs/dbraw/zinc/00/33/25/1206003325.db2.gz HYJBPGXZDZDPTP-RHSMWYFYSA-N 2 2 371.489 0.770 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056622 1206003328 /nfs/dbraw/zinc/00/33/28/1206003328.db2.gz HYJBPGXZDZDPTP-RHSMWYFYSA-N 2 2 371.489 0.770 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137260 1206034730 /nfs/dbraw/zinc/03/47/30/1206034730.db2.gz VPSBDULFHRUXCI-CHWSQXEVSA-N 2 2 358.450 0.169 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137260 1206034735 /nfs/dbraw/zinc/03/47/35/1206034735.db2.gz VPSBDULFHRUXCI-CHWSQXEVSA-N 2 2 358.450 0.169 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209146 1206056450 /nfs/dbraw/zinc/05/64/50/1206056450.db2.gz UUWZEBQBMGVNDD-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209146 1206056451 /nfs/dbraw/zinc/05/64/51/1206056451.db2.gz UUWZEBQBMGVNDD-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209146 1206056455 /nfs/dbraw/zinc/05/64/55/1206056455.db2.gz UUWZEBQBMGVNDD-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209146 1206056460 /nfs/dbraw/zinc/05/64/60/1206056460.db2.gz UUWZEBQBMGVNDD-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209093 1206056934 /nfs/dbraw/zinc/05/69/34/1206056934.db2.gz RWVFIZKYMGYPHS-BRWVUGGUSA-N 2 2 361.490 0.690 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209093 1206056935 /nfs/dbraw/zinc/05/69/35/1206056935.db2.gz RWVFIZKYMGYPHS-BRWVUGGUSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209093 1206056937 /nfs/dbraw/zinc/05/69/37/1206056937.db2.gz RWVFIZKYMGYPHS-BRWVUGGUSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209093 1206056939 /nfs/dbraw/zinc/05/69/39/1206056939.db2.gz RWVFIZKYMGYPHS-BRWVUGGUSA-N 2 2 361.490 0.690 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208755 1206056971 /nfs/dbraw/zinc/05/69/71/1206056971.db2.gz FGCIHMURFLALFP-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208755 1206056973 /nfs/dbraw/zinc/05/69/73/1206056973.db2.gz FGCIHMURFLALFP-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208755 1206056977 /nfs/dbraw/zinc/05/69/77/1206056977.db2.gz FGCIHMURFLALFP-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093208755 1206056979 /nfs/dbraw/zinc/05/69/79/1206056979.db2.gz FGCIHMURFLALFP-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093217565 1206061683 /nfs/dbraw/zinc/06/16/83/1206061683.db2.gz FNDSAQSTRIXVHO-RHSMWYFYSA-N 2 2 371.489 0.770 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001093217565 1206061689 /nfs/dbraw/zinc/06/16/89/1206061689.db2.gz FNDSAQSTRIXVHO-RHSMWYFYSA-N 2 2 371.489 0.770 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093280800 1206071740 /nfs/dbraw/zinc/07/17/40/1206071740.db2.gz LHNJNJKUDQENJV-KFWWJZLASA-N 2 2 361.446 0.153 20 0 FCADLP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)C1=O ZINC001093288158 1206073608 /nfs/dbraw/zinc/07/36/08/1206073608.db2.gz IYOVNKPYJOZEFH-BMFZPTHFSA-N 2 2 361.490 0.956 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093289631 1206073981 /nfs/dbraw/zinc/07/39/81/1206073981.db2.gz VTJJKJBSVDLZIE-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001093690523 1206101157 /nfs/dbraw/zinc/10/11/57/1206101157.db2.gz ZBLXPYCDFKQBOX-YUELXQCFSA-N 2 2 363.462 0.462 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001093690523 1206101160 /nfs/dbraw/zinc/10/11/60/1206101160.db2.gz ZBLXPYCDFKQBOX-YUELXQCFSA-N 2 2 363.462 0.462 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093824086 1206123953 /nfs/dbraw/zinc/12/39/53/1206123953.db2.gz GIFDELHLGNOQQI-MCIONIFRSA-N 2 2 358.450 0.168 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)[C@H](C)C2)c[nH+]1 ZINC001093853905 1206132996 /nfs/dbraw/zinc/13/29/96/1206132996.db2.gz CTSPGHWHDTVMKY-FVQBIDKESA-N 2 2 361.490 0.841 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001093871109 1206138082 /nfs/dbraw/zinc/13/80/82/1206138082.db2.gz FXWZYXMMCUSVSJ-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001093871586 1206138148 /nfs/dbraw/zinc/13/81/48/1206138148.db2.gz QJULOZLHOJIVEQ-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C)n1 ZINC001093871757 1206138365 /nfs/dbraw/zinc/13/83/65/1206138365.db2.gz UYAHYOPMKYIHDD-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093871494 1206138521 /nfs/dbraw/zinc/13/85/21/1206138521.db2.gz NPFPMSPIKQJWQR-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093873038 1206139009 /nfs/dbraw/zinc/13/90/09/1206139009.db2.gz HACYPTPYSSNTKA-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)C2 ZINC001093875190 1206140108 /nfs/dbraw/zinc/14/01/08/1206140108.db2.gz DSSGHSOJPIIPIV-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3ncnn3C)[C@H](C)C1)CC2 ZINC001093875190 1206140110 /nfs/dbraw/zinc/14/01/10/1206140110.db2.gz DSSGHSOJPIIPIV-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001093992613 1206165333 /nfs/dbraw/zinc/16/53/33/1206165333.db2.gz XWSRIEDQYVHYJA-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001093992613 1206165337 /nfs/dbraw/zinc/16/53/37/1206165337.db2.gz XWSRIEDQYVHYJA-BMFZPTHFSA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094056333 1206177492 /nfs/dbraw/zinc/17/74/92/1206177492.db2.gz YJVRMKWGNJOTCU-KBUPBQIOSA-N 2 2 357.462 0.536 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001094074962 1206179631 /nfs/dbraw/zinc/17/96/31/1206179631.db2.gz QJPVGYKZUPWLHX-FRRDWIJNSA-N 2 2 362.434 0.927 20 0 FCADLP COc1coc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1=O ZINC001094075026 1206179885 /nfs/dbraw/zinc/17/98/85/1206179885.db2.gz WADPMXQIJGSVEE-CHWSQXEVSA-N 2 2 360.414 0.798 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094132652 1206190148 /nfs/dbraw/zinc/19/01/48/1206190148.db2.gz OOZNXERNBJRIOG-TZMCWYRMSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094133106 1206190213 /nfs/dbraw/zinc/19/02/13/1206190213.db2.gz VHTDUOFCJLEKSG-TZMCWYRMSA-N 2 2 357.462 0.842 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220565389 1224935067 /nfs/dbraw/zinc/93/50/67/1224935067.db2.gz QJMPWHYEURYHTQ-CVEARBPZSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220565389 1224935078 /nfs/dbraw/zinc/93/50/78/1224935078.db2.gz QJMPWHYEURYHTQ-CVEARBPZSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220565389 1224935088 /nfs/dbraw/zinc/93/50/88/1224935088.db2.gz QJMPWHYEURYHTQ-CVEARBPZSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001220565389 1224935097 /nfs/dbraw/zinc/93/50/97/1224935097.db2.gz QJMPWHYEURYHTQ-CVEARBPZSA-N 2 2 370.538 0.575 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001094189556 1206205069 /nfs/dbraw/zinc/20/50/69/1206205069.db2.gz AOKHJYAIXCLCML-VNQPRFMTSA-N 2 2 361.490 0.861 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)nn1 ZINC001094196868 1206206436 /nfs/dbraw/zinc/20/64/36/1206206436.db2.gz VNUUXFQOCPOPJI-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220565635 1224935735 /nfs/dbraw/zinc/93/57/35/1224935735.db2.gz XOHCGQMRYUZKCU-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220565635 1224935741 /nfs/dbraw/zinc/93/57/41/1224935741.db2.gz XOHCGQMRYUZKCU-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220565635 1224935745 /nfs/dbraw/zinc/93/57/45/1224935745.db2.gz XOHCGQMRYUZKCU-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001220565635 1224935749 /nfs/dbraw/zinc/93/57/49/1224935749.db2.gz XOHCGQMRYUZKCU-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094453099 1206229086 /nfs/dbraw/zinc/22/90/86/1206229086.db2.gz MSNGYYMCQIDDDD-IDHHARJASA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094453099 1206229088 /nfs/dbraw/zinc/22/90/88/1206229088.db2.gz MSNGYYMCQIDDDD-IDHHARJASA-N 2 2 359.474 0.552 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@H]1COCC[NH+]1CC1CCC1 ZINC001094477825 1206233729 /nfs/dbraw/zinc/23/37/29/1206233729.db2.gz LAUUFWRROOJRAS-QWFCFKBJSA-N 2 2 365.518 0.840 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@H]1COCC[NH+]1CC1CCC1 ZINC001094477825 1206233730 /nfs/dbraw/zinc/23/37/30/1206233730.db2.gz LAUUFWRROOJRAS-QWFCFKBJSA-N 2 2 365.518 0.840 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001094477825 1206233731 /nfs/dbraw/zinc/23/37/31/1206233731.db2.gz LAUUFWRROOJRAS-QWFCFKBJSA-N 2 2 365.518 0.840 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001094477825 1206233732 /nfs/dbraw/zinc/23/37/32/1206233732.db2.gz LAUUFWRROOJRAS-QWFCFKBJSA-N 2 2 365.518 0.840 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510097 1206234673 /nfs/dbraw/zinc/23/46/73/1206234673.db2.gz XYXOBROTUJEMFQ-ZBQZNYHESA-N 2 2 359.474 0.936 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)CCC[C@@H]12 ZINC001094510097 1206234674 /nfs/dbraw/zinc/23/46/74/1206234674.db2.gz XYXOBROTUJEMFQ-ZBQZNYHESA-N 2 2 359.474 0.936 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568427 1224937118 /nfs/dbraw/zinc/93/71/18/1224937118.db2.gz MRSCLLXISKDIEG-ZACQAIPSSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568427 1224937133 /nfs/dbraw/zinc/93/71/33/1224937133.db2.gz MRSCLLXISKDIEG-ZACQAIPSSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568427 1224937144 /nfs/dbraw/zinc/93/71/44/1224937144.db2.gz MRSCLLXISKDIEG-ZACQAIPSSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC)C[C@@H]1O ZINC001220568427 1224937156 /nfs/dbraw/zinc/93/71/56/1224937156.db2.gz MRSCLLXISKDIEG-ZACQAIPSSA-N 2 2 370.538 0.575 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](Cc4ccccc4)C3)C2)CC[N@@H+]1C ZINC001094739162 1206245264 /nfs/dbraw/zinc/24/52/64/1206245264.db2.gz SPDURSSCGJQZDI-SZVBFZGTSA-N 2 2 370.497 0.928 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC(=O)N(C3C[NH+](Cc4ccccc4)C3)C2)CC[N@H+]1C ZINC001094739162 1206245269 /nfs/dbraw/zinc/24/52/69/1206245269.db2.gz SPDURSSCGJQZDI-SZVBFZGTSA-N 2 2 370.497 0.928 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCC3CC3)C2)C1 ZINC001094782563 1206246982 /nfs/dbraw/zinc/24/69/82/1206246982.db2.gz BQHXVJULBVJESC-DJIMGWMZSA-N 2 2 371.485 0.725 20 0 FCADLP CC[N@@H+]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C1 ZINC001173360406 1206269382 /nfs/dbraw/zinc/26/93/82/1206269382.db2.gz DBAZLEGHISTJOT-OAHLLOKOSA-N 2 2 371.489 0.499 20 0 FCADLP CC[N@H+]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C1 ZINC001173360406 1206269388 /nfs/dbraw/zinc/26/93/88/1206269388.db2.gz DBAZLEGHISTJOT-OAHLLOKOSA-N 2 2 371.489 0.499 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)C(C)C ZINC001220573524 1224940859 /nfs/dbraw/zinc/94/08/59/1224940859.db2.gz ZFKOASFKVYLEKV-SOLBZPMBSA-N 2 2 370.538 0.381 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]1O)C(C)C ZINC001220573524 1224940863 /nfs/dbraw/zinc/94/08/63/1224940863.db2.gz ZFKOASFKVYLEKV-SOLBZPMBSA-N 2 2 370.538 0.381 20 0 FCADLP CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)cn1 ZINC001095268210 1206291000 /nfs/dbraw/zinc/29/10/00/1206291000.db2.gz VVHGTBWOXKOGLO-VSZNYVQBSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)cn1 ZINC001095268210 1206291003 /nfs/dbraw/zinc/29/10/03/1206291003.db2.gz VVHGTBWOXKOGLO-VSZNYVQBSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)cn1 ZINC001095268210 1206291006 /nfs/dbraw/zinc/29/10/06/1206291006.db2.gz VVHGTBWOXKOGLO-VSZNYVQBSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)cn1 ZINC001095268210 1206291012 /nfs/dbraw/zinc/29/10/12/1206291012.db2.gz VVHGTBWOXKOGLO-VSZNYVQBSA-N 2 2 361.490 0.498 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932440 1206367769 /nfs/dbraw/zinc/36/77/69/1206367769.db2.gz LOSABCJTQRZOIS-YJNKXOJESA-N 2 2 362.478 0.800 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932440 1206367772 /nfs/dbraw/zinc/36/77/72/1206367772.db2.gz LOSABCJTQRZOIS-YJNKXOJESA-N 2 2 362.478 0.800 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179561864 1206381185 /nfs/dbraw/zinc/38/11/85/1206381185.db2.gz UMGCLQJVDZAPLK-XZDPQHSOSA-N 2 2 359.474 0.629 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760724 1206399398 /nfs/dbraw/zinc/39/93/98/1206399398.db2.gz UHZKVLCKEUAMHD-KURKYZTESA-N 2 2 360.458 0.214 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760724 1206399401 /nfs/dbraw/zinc/39/94/01/1206399401.db2.gz UHZKVLCKEUAMHD-KURKYZTESA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760724 1206399403 /nfs/dbraw/zinc/39/94/03/1206399403.db2.gz UHZKVLCKEUAMHD-KURKYZTESA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760724 1206399405 /nfs/dbraw/zinc/39/94/05/1206399405.db2.gz UHZKVLCKEUAMHD-KURKYZTESA-N 2 2 360.458 0.214 20 0 FCADLP O=C(N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C12CC[NH+](CC1)CC2 ZINC001181549703 1206410584 /nfs/dbraw/zinc/41/05/84/1206410584.db2.gz UGSXZOGSJUDPRR-UHFFFAOYSA-N 2 2 355.446 0.741 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001181786556 1206414984 /nfs/dbraw/zinc/41/49/84/1206414984.db2.gz HLECWKUYOLRLIY-DEXNDLTESA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CC(=O)N1CCC1 ZINC001181786556 1206414985 /nfs/dbraw/zinc/41/49/85/1206414985.db2.gz HLECWKUYOLRLIY-DEXNDLTESA-N 2 2 359.474 0.820 20 0 FCADLP COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220585604 1224952010 /nfs/dbraw/zinc/95/20/10/1224952010.db2.gz QRVDKMHTUNJMHU-KBMXLJTQSA-N 2 2 363.458 0.753 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669305 1206440936 /nfs/dbraw/zinc/44/09/36/1206440936.db2.gz LCYUGHYBDCYMIC-DINLJIAVSA-N 2 2 364.490 0.605 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CCc1ccc(N)[nH+]c1)CC2 ZINC001183931202 1206462004 /nfs/dbraw/zinc/46/20/04/1206462004.db2.gz AAPSMTXSAIHJLU-UHFFFAOYSA-N 2 2 359.474 0.799 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001185246782 1206476506 /nfs/dbraw/zinc/47/65/06/1206476506.db2.gz XIBOHQIZHUGHFT-SFHVURJKSA-N 2 2 362.522 0.656 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185246782 1206476509 /nfs/dbraw/zinc/47/65/09/1206476509.db2.gz XIBOHQIZHUGHFT-SFHVURJKSA-N 2 2 362.522 0.656 20 0 FCADLP [NH3+]C1(C(=O)NC2CCN(c3cnc4ccccc4n3)CC2)CC[NH2+]CC1 ZINC001220622624 1224972701 /nfs/dbraw/zinc/97/27/01/1224972701.db2.gz RIJVEJRNYBYDGA-UHFFFAOYSA-N 2 2 354.458 0.796 20 0 FCADLP O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220622408 1224973102 /nfs/dbraw/zinc/97/31/02/1224973102.db2.gz NAWUPOQKZQNKRM-JLTOFOAXSA-N 2 2 366.469 0.666 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)CCc2[nH]cc[nH+]2)C3)CC1 ZINC001273543516 1207374289 /nfs/dbraw/zinc/37/42/89/1207374289.db2.gz FDTOLIDENAQLKK-HNNXBMFYSA-N 2 2 359.474 0.743 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187926062 1207403057 /nfs/dbraw/zinc/40/30/57/1207403057.db2.gz YMAQTDHXINJQRS-YESZJQIVSA-N 2 2 358.442 0.796 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001187926062 1207403060 /nfs/dbraw/zinc/40/30/60/1207403060.db2.gz YMAQTDHXINJQRS-YESZJQIVSA-N 2 2 358.442 0.796 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001188562897 1207464193 /nfs/dbraw/zinc/46/41/93/1207464193.db2.gz VLDMTRLRVXATSY-YESZJQIVSA-N 2 2 361.490 0.980 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001188562897 1207464194 /nfs/dbraw/zinc/46/41/94/1207464194.db2.gz VLDMTRLRVXATSY-YESZJQIVSA-N 2 2 361.490 0.980 20 0 FCADLP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062298 1207499603 /nfs/dbraw/zinc/49/96/03/1207499603.db2.gz QXUPCNWKJYPWPK-LSDHHAIUSA-N 2 2 362.478 0.449 20 0 FCADLP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062298 1207499610 /nfs/dbraw/zinc/49/96/10/1207499610.db2.gz QXUPCNWKJYPWPK-LSDHHAIUSA-N 2 2 362.478 0.449 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189143992 1207512133 /nfs/dbraw/zinc/51/21/33/1207512133.db2.gz FNJCJYOJRIFVSG-SOUVJXGZSA-N 2 2 367.494 0.095 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189143992 1207512139 /nfs/dbraw/zinc/51/21/39/1207512139.db2.gz FNJCJYOJRIFVSG-SOUVJXGZSA-N 2 2 367.494 0.095 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189426529 1207548395 /nfs/dbraw/zinc/54/83/95/1207548395.db2.gz XZKHNMVWJRZJRN-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189898854 1207623670 /nfs/dbraw/zinc/62/36/70/1207623670.db2.gz RBEMYQIONGPPNN-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189898854 1207623676 /nfs/dbraw/zinc/62/36/76/1207623676.db2.gz RBEMYQIONGPPNN-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189898854 1207623681 /nfs/dbraw/zinc/62/36/81/1207623681.db2.gz RBEMYQIONGPPNN-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001189898854 1207623684 /nfs/dbraw/zinc/62/36/84/1207623684.db2.gz RBEMYQIONGPPNN-DOTOQJQBSA-N 2 2 362.474 0.770 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)NCc1ccccc1 ZINC001190168072 1207656027 /nfs/dbraw/zinc/65/60/27/1207656027.db2.gz MBLDDQGSWSFSJT-RBUKOAKNSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)NCc1ccccc1 ZINC001190168072 1207656031 /nfs/dbraw/zinc/65/60/31/1207656031.db2.gz MBLDDQGSWSFSJT-RBUKOAKNSA-N 2 2 370.497 0.931 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001190237401 1207672759 /nfs/dbraw/zinc/67/27/59/1207672759.db2.gz BCAMURLTLMYHBA-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001190237401 1207672763 /nfs/dbraw/zinc/67/27/63/1207672763.db2.gz BCAMURLTLMYHBA-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001190237401 1207672766 /nfs/dbraw/zinc/67/27/66/1207672766.db2.gz BCAMURLTLMYHBA-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001190237401 1207672770 /nfs/dbraw/zinc/67/27/70/1207672770.db2.gz BCAMURLTLMYHBA-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220688244 1225014195 /nfs/dbraw/zinc/01/41/95/1225014195.db2.gz BDXBPYRKPYUESG-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220688244 1225014209 /nfs/dbraw/zinc/01/42/09/1225014209.db2.gz BDXBPYRKPYUESG-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220688244 1225014220 /nfs/dbraw/zinc/01/42/20/1225014220.db2.gz BDXBPYRKPYUESG-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220688244 1225014231 /nfs/dbraw/zinc/01/42/31/1225014231.db2.gz BDXBPYRKPYUESG-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP Cc1cnncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001192929169 1207852633 /nfs/dbraw/zinc/85/26/33/1207852633.db2.gz UWSKLLDUCHNUDF-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1cnncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001192929169 1207852636 /nfs/dbraw/zinc/85/26/36/1207852636.db2.gz UWSKLLDUCHNUDF-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782103 1207888663 /nfs/dbraw/zinc/88/86/63/1207888663.db2.gz SGQLYDKQKHHYAJ-JFIYKMOQSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782103 1207888667 /nfs/dbraw/zinc/88/86/67/1207888667.db2.gz SGQLYDKQKHHYAJ-JFIYKMOQSA-N 2 2 368.522 0.137 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)ccn1 ZINC001193782095 1207889017 /nfs/dbraw/zinc/88/90/17/1207889017.db2.gz SDPPFBWCPZQNND-JFIYKMOQSA-N 2 2 361.490 0.149 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)ccn1 ZINC001193782095 1207889018 /nfs/dbraw/zinc/88/90/18/1207889018.db2.gz SDPPFBWCPZQNND-JFIYKMOQSA-N 2 2 361.490 0.149 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1F ZINC001193755137 1207890047 /nfs/dbraw/zinc/89/00/47/1207890047.db2.gz GHZXDQLGBRDJIT-NUJGCVRESA-N 2 2 365.449 0.836 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193755995 1207890586 /nfs/dbraw/zinc/89/05/86/1207890586.db2.gz OMCYOKAPRQNMCA-QLFBSQMISA-N 2 2 371.432 0.020 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001193755995 1207890587 /nfs/dbraw/zinc/89/05/87/1207890587.db2.gz OMCYOKAPRQNMCA-QLFBSQMISA-N 2 2 371.432 0.020 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805365 1207891169 /nfs/dbraw/zinc/89/11/69/1207891169.db2.gz NCLZAXBVSXEUPK-KBRIMQKVSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805365 1207891170 /nfs/dbraw/zinc/89/11/70/1207891170.db2.gz NCLZAXBVSXEUPK-KBRIMQKVSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805365 1207891173 /nfs/dbraw/zinc/89/11/73/1207891173.db2.gz NCLZAXBVSXEUPK-KBRIMQKVSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805365 1207891174 /nfs/dbraw/zinc/89/11/74/1207891174.db2.gz NCLZAXBVSXEUPK-KBRIMQKVSA-N 2 2 368.522 0.325 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821574 1207892544 /nfs/dbraw/zinc/89/25/44/1207892544.db2.gz OCTAQNGHFFXRBM-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821574 1207892545 /nfs/dbraw/zinc/89/25/45/1207892545.db2.gz OCTAQNGHFFXRBM-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821574 1207892546 /nfs/dbraw/zinc/89/25/46/1207892546.db2.gz OCTAQNGHFFXRBM-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821574 1207892549 /nfs/dbraw/zinc/89/25/49/1207892549.db2.gz OCTAQNGHFFXRBM-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001193953114 1207900756 /nfs/dbraw/zinc/90/07/56/1207900756.db2.gz FMOSQNFSHMAEFP-NUJGCVRESA-N 2 2 370.538 0.379 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001193953114 1207900758 /nfs/dbraw/zinc/90/07/58/1207900758.db2.gz FMOSQNFSHMAEFP-NUJGCVRESA-N 2 2 370.538 0.379 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001194235203 1207925370 /nfs/dbraw/zinc/92/53/70/1207925370.db2.gz HERCBBFQPKJSTO-HZPDHXFCSA-N 2 2 363.506 0.539 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001194235203 1207925374 /nfs/dbraw/zinc/92/53/74/1207925374.db2.gz HERCBBFQPKJSTO-HZPDHXFCSA-N 2 2 363.506 0.539 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001194235203 1207925384 /nfs/dbraw/zinc/92/53/84/1207925384.db2.gz HERCBBFQPKJSTO-HZPDHXFCSA-N 2 2 363.506 0.539 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001194235203 1207925390 /nfs/dbraw/zinc/92/53/90/1207925390.db2.gz HERCBBFQPKJSTO-HZPDHXFCSA-N 2 2 363.506 0.539 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744598 1207972355 /nfs/dbraw/zinc/97/23/55/1207972355.db2.gz ANJNEJJDEXVYPA-SJLPKXTDSA-N 2 2 364.490 0.738 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744598 1207972357 /nfs/dbraw/zinc/97/23/57/1207972357.db2.gz ANJNEJJDEXVYPA-SJLPKXTDSA-N 2 2 364.490 0.738 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194909359 1207982501 /nfs/dbraw/zinc/98/25/01/1207982501.db2.gz OATZWEYESPGUHJ-IXDOHACOSA-N 2 2 364.490 0.455 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001194909359 1207982504 /nfs/dbraw/zinc/98/25/04/1207982504.db2.gz OATZWEYESPGUHJ-IXDOHACOSA-N 2 2 364.490 0.455 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1C ZINC001195149543 1208005088 /nfs/dbraw/zinc/00/50/88/1208005088.db2.gz RVIQOYPJQABZAL-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1C ZINC001195149543 1208005090 /nfs/dbraw/zinc/00/50/90/1208005090.db2.gz RVIQOYPJQABZAL-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221709 1208011097 /nfs/dbraw/zinc/01/10/97/1208011097.db2.gz CFKDUIBSMHVOHM-BZUAXINKSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221709 1208011100 /nfs/dbraw/zinc/01/11/00/1208011100.db2.gz CFKDUIBSMHVOHM-BZUAXINKSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001195708085 1208035822 /nfs/dbraw/zinc/03/58/22/1208035822.db2.gz DTNMUEWLHTZSQQ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001195708085 1208035827 /nfs/dbraw/zinc/03/58/27/1208035827.db2.gz DTNMUEWLHTZSQQ-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001195859067 1208041425 /nfs/dbraw/zinc/04/14/25/1208041425.db2.gz DJIYDSRYCAWZDT-IAGOWNOFSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001195859067 1208041430 /nfs/dbraw/zinc/04/14/30/1208041430.db2.gz DJIYDSRYCAWZDT-IAGOWNOFSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001195893209 1208043911 /nfs/dbraw/zinc/04/39/11/1208043911.db2.gz BIAINCIRYLOZIP-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC001195893209 1208043914 /nfs/dbraw/zinc/04/39/14/1208043914.db2.gz BIAINCIRYLOZIP-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)NC[C@@H]3CCCO3)CC2)CC[NH+]1C ZINC001195893209 1208043918 /nfs/dbraw/zinc/04/39/18/1208043918.db2.gz BIAINCIRYLOZIP-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC[C@@H]3CCCO3)CC2)CC[NH+]1C ZINC001195893209 1208043923 /nfs/dbraw/zinc/04/39/23/1208043923.db2.gz BIAINCIRYLOZIP-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195894505 1208044448 /nfs/dbraw/zinc/04/44/48/1208044448.db2.gz ZINJPMVNMRBWMG-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195894505 1208044451 /nfs/dbraw/zinc/04/44/51/1208044451.db2.gz ZINJPMVNMRBWMG-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195894505 1208044454 /nfs/dbraw/zinc/04/44/54/1208044454.db2.gz ZINJPMVNMRBWMG-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195894505 1208044457 /nfs/dbraw/zinc/04/44/57/1208044457.db2.gz ZINJPMVNMRBWMG-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196199230 1208064820 /nfs/dbraw/zinc/06/48/20/1208064820.db2.gz FFWCHCCFDQWCJP-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cn1 ZINC001196199230 1208064830 /nfs/dbraw/zinc/06/48/30/1208064830.db2.gz FFWCHCCFDQWCJP-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cn1 ZINC001196199230 1208064835 /nfs/dbraw/zinc/06/48/35/1208064835.db2.gz FFWCHCCFDQWCJP-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)ccn1 ZINC001196199803 1208065138 /nfs/dbraw/zinc/06/51/38/1208065138.db2.gz MPANBTIUSKGODY-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)ccn1 ZINC001196199803 1208065143 /nfs/dbraw/zinc/06/51/43/1208065143.db2.gz MPANBTIUSKGODY-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)ccn1 ZINC001196199803 1208065148 /nfs/dbraw/zinc/06/51/48/1208065148.db2.gz MPANBTIUSKGODY-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)ccn1 ZINC001196199803 1208065150 /nfs/dbraw/zinc/06/51/50/1208065150.db2.gz MPANBTIUSKGODY-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268856 1208069433 /nfs/dbraw/zinc/06/94/33/1208069433.db2.gz MXCBQADJAVVUOY-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268856 1208069435 /nfs/dbraw/zinc/06/94/35/1208069435.db2.gz MXCBQADJAVVUOY-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268856 1208069439 /nfs/dbraw/zinc/06/94/39/1208069439.db2.gz MXCBQADJAVVUOY-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268856 1208069441 /nfs/dbraw/zinc/06/94/41/1208069441.db2.gz MXCBQADJAVVUOY-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268857 1208069890 /nfs/dbraw/zinc/06/98/90/1208069890.db2.gz MXCBQADJAVVUOY-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268857 1208069892 /nfs/dbraw/zinc/06/98/92/1208069892.db2.gz MXCBQADJAVVUOY-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268857 1208069894 /nfs/dbraw/zinc/06/98/94/1208069894.db2.gz MXCBQADJAVVUOY-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268857 1208069897 /nfs/dbraw/zinc/06/98/97/1208069897.db2.gz MXCBQADJAVVUOY-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O)[NH+](C)C ZINC001196267909 1208070002 /nfs/dbraw/zinc/07/00/02/1208070002.db2.gz JMKZVOLCKGKJDS-QLFBSQMISA-N 2 2 363.462 0.061 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O)C(C)C ZINC001197017368 1208127856 /nfs/dbraw/zinc/12/78/56/1208127856.db2.gz DAZZYNMLFLYYOJ-NUJGCVRESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O)C(C)C ZINC001197017368 1208127860 /nfs/dbraw/zinc/12/78/60/1208127860.db2.gz DAZZYNMLFLYYOJ-NUJGCVRESA-N 2 2 368.522 0.137 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049378 1208130569 /nfs/dbraw/zinc/13/05/69/1208130569.db2.gz NEORHWAGWYXTOC-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049378 1208130573 /nfs/dbraw/zinc/13/05/73/1208130573.db2.gz NEORHWAGWYXTOC-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197049230 1208130621 /nfs/dbraw/zinc/13/06/21/1208130621.db2.gz LDQLWEIWWRZIDH-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197049230 1208130624 /nfs/dbraw/zinc/13/06/24/1208130624.db2.gz LDQLWEIWWRZIDH-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492886 1208166217 /nfs/dbraw/zinc/16/62/17/1208166217.db2.gz APEHJXMTFBCNLK-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492886 1208166219 /nfs/dbraw/zinc/16/62/19/1208166219.db2.gz APEHJXMTFBCNLK-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492886 1208166221 /nfs/dbraw/zinc/16/62/21/1208166221.db2.gz APEHJXMTFBCNLK-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492886 1208166224 /nfs/dbraw/zinc/16/62/24/1208166224.db2.gz APEHJXMTFBCNLK-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001197535695 1208170857 /nfs/dbraw/zinc/17/08/57/1208170857.db2.gz BDXBPYRKPYUESG-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001197535695 1208170861 /nfs/dbraw/zinc/17/08/61/1208170861.db2.gz BDXBPYRKPYUESG-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001197535695 1208170866 /nfs/dbraw/zinc/17/08/66/1208170866.db2.gz BDXBPYRKPYUESG-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001197535695 1208170873 /nfs/dbraw/zinc/17/08/73/1208170873.db2.gz BDXBPYRKPYUESG-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001197723340 1208190344 /nfs/dbraw/zinc/19/03/44/1208190344.db2.gz GHVFQWYHFGFKGX-QZTJIDSGSA-N 2 2 365.522 0.984 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001197723340 1208190345 /nfs/dbraw/zinc/19/03/45/1208190345.db2.gz GHVFQWYHFGFKGX-QZTJIDSGSA-N 2 2 365.522 0.984 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)o1 ZINC001197783073 1208196252 /nfs/dbraw/zinc/19/62/52/1208196252.db2.gz NDGVENPHNRNHDP-HUUCEWRRSA-N 2 2 368.478 0.175 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)o1 ZINC001197783073 1208196255 /nfs/dbraw/zinc/19/62/55/1208196255.db2.gz NDGVENPHNRNHDP-HUUCEWRRSA-N 2 2 368.478 0.175 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001197834001 1208198624 /nfs/dbraw/zinc/19/86/24/1208198624.db2.gz PGIAWIAFXJBGST-SJLPKXTDSA-N 2 2 362.474 0.739 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001197834001 1208198626 /nfs/dbraw/zinc/19/86/26/1208198626.db2.gz PGIAWIAFXJBGST-SJLPKXTDSA-N 2 2 362.474 0.739 20 0 FCADLP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)cc1 ZINC001220743888 1225049158 /nfs/dbraw/zinc/04/91/58/1225049158.db2.gz UMKSBQUDWNJKSH-LAUBAEHRSA-N 3 2 372.513 0.770 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198560629 1208265230 /nfs/dbraw/zinc/26/52/30/1208265230.db2.gz AMQANWCOKGDAHA-HNNXBMFYSA-N 2 2 368.397 0.905 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC001198688412 1208283144 /nfs/dbraw/zinc/28/31/44/1208283144.db2.gz FFWZAKBNXLRNPM-QXAKKESOSA-N 2 2 361.486 0.625 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC001198688412 1208283149 /nfs/dbraw/zinc/28/31/49/1208283149.db2.gz FFWZAKBNXLRNPM-QXAKKESOSA-N 2 2 361.486 0.625 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O)[NH+]1CCCCC1 ZINC001199097110 1208317452 /nfs/dbraw/zinc/31/74/52/1208317452.db2.gz WDCRQMUFQIFSDV-KURKYZTESA-N 2 2 363.506 0.592 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119499 1208323217 /nfs/dbraw/zinc/32/32/17/1208323217.db2.gz HMVBXFOUPHFHRU-KURKYZTESA-N 2 2 365.474 0.114 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119499 1208323218 /nfs/dbraw/zinc/32/32/18/1208323218.db2.gz HMVBXFOUPHFHRU-KURKYZTESA-N 2 2 365.474 0.114 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000867315135 1208341414 /nfs/dbraw/zinc/34/14/14/1208341414.db2.gz WUTNZYFYXXVDOS-NAASZUNDSA-N 2 2 359.470 0.758 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000867315135 1208341418 /nfs/dbraw/zinc/34/14/18/1208341418.db2.gz WUTNZYFYXXVDOS-NAASZUNDSA-N 2 2 359.470 0.758 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370560 1208344282 /nfs/dbraw/zinc/34/42/82/1208344282.db2.gz YFGACCNQBUPHSZ-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370560 1208344288 /nfs/dbraw/zinc/34/42/88/1208344288.db2.gz YFGACCNQBUPHSZ-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199384343 1208345410 /nfs/dbraw/zinc/34/54/10/1208345410.db2.gz HWSUVCJUKLCGMA-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199384343 1208345415 /nfs/dbraw/zinc/34/54/15/1208345415.db2.gz HWSUVCJUKLCGMA-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199384343 1208345419 /nfs/dbraw/zinc/34/54/19/1208345419.db2.gz HWSUVCJUKLCGMA-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199384343 1208345422 /nfs/dbraw/zinc/34/54/22/1208345422.db2.gz HWSUVCJUKLCGMA-RTBURBONSA-N 2 2 371.485 0.256 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1C ZINC001691702638 1208420333 /nfs/dbraw/zinc/42/03/33/1208420333.db2.gz ZZIGGTLJIQZIQR-YUELXQCFSA-N 2 2 356.492 0.451 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H]1C ZINC001691702638 1208420335 /nfs/dbraw/zinc/42/03/35/1208420335.db2.gz ZZIGGTLJIQZIQR-YUELXQCFSA-N 2 2 356.492 0.451 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220822407 1225088666 /nfs/dbraw/zinc/08/86/66/1225088666.db2.gz XHIVRUZHHSFVKK-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220822407 1225088672 /nfs/dbraw/zinc/08/86/72/1225088672.db2.gz XHIVRUZHHSFVKK-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220822407 1225088678 /nfs/dbraw/zinc/08/86/78/1225088678.db2.gz XHIVRUZHHSFVKK-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220822407 1225088685 /nfs/dbraw/zinc/08/86/85/1225088685.db2.gz XHIVRUZHHSFVKK-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)Cc3ccco3)C2)CC[N@@H+]1C ZINC001490540396 1209367621 /nfs/dbraw/zinc/36/76/21/1209367621.db2.gz GSOIOOUYBUMNAF-HLLBOEOZSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)Cc3ccco3)C2)CC[N@H+]1C ZINC001490540396 1209367626 /nfs/dbraw/zinc/36/76/26/1209367626.db2.gz GSOIOOUYBUMNAF-HLLBOEOZSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)Cc3ccco3)C2)CC[NH+]1C ZINC001490540396 1209367631 /nfs/dbraw/zinc/36/76/31/1209367631.db2.gz GSOIOOUYBUMNAF-HLLBOEOZSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccco3)C2)CC[NH+]1C ZINC001490540396 1209367636 /nfs/dbraw/zinc/36/76/36/1209367636.db2.gz GSOIOOUYBUMNAF-HLLBOEOZSA-N 2 2 362.474 0.769 20 0 FCADLP O=C1CCCN1C[C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594357 1209600340 /nfs/dbraw/zinc/60/03/40/1209600340.db2.gz UXNJXWYRYXZTAO-BEFAXECRSA-N 2 2 362.474 0.805 20 0 FCADLP O=C1CCCN1C[C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594357 1209600341 /nfs/dbraw/zinc/60/03/41/1209600341.db2.gz UXNJXWYRYXZTAO-BEFAXECRSA-N 2 2 362.474 0.805 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000857101847 1209741510 /nfs/dbraw/zinc/74/15/10/1209741510.db2.gz KCHKDSMKTIUYFD-DNVCBOLYSA-N 2 2 353.426 0.828 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718000 1209742370 /nfs/dbraw/zinc/74/23/70/1209742370.db2.gz SSJOMKPUOMPRMB-FPCVCCKLSA-N 2 2 366.506 0.201 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718000 1209742374 /nfs/dbraw/zinc/74/23/74/1209742374.db2.gz SSJOMKPUOMPRMB-FPCVCCKLSA-N 2 2 366.506 0.201 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736873 1209764589 /nfs/dbraw/zinc/76/45/89/1209764589.db2.gz QMKPTAOMARTDSU-MCIONIFRSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736873 1209764596 /nfs/dbraw/zinc/76/45/96/1209764596.db2.gz QMKPTAOMARTDSU-MCIONIFRSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110736873 1209764603 /nfs/dbraw/zinc/76/46/03/1209764603.db2.gz QMKPTAOMARTDSU-MCIONIFRSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110736873 1209764611 /nfs/dbraw/zinc/76/46/11/1209764611.db2.gz QMKPTAOMARTDSU-MCIONIFRSA-N 2 2 367.494 0.284 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000861738675 1209878161 /nfs/dbraw/zinc/87/81/61/1209878161.db2.gz AVWPHOHHDPDRSL-QGZVFWFLSA-N 2 2 355.442 0.945 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989343 1225176929 /nfs/dbraw/zinc/17/69/29/1225176929.db2.gz UGVUUZPBKBOMQV-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989343 1225176935 /nfs/dbraw/zinc/17/69/35/1225176935.db2.gz UGVUUZPBKBOMQV-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)CC1 ZINC000874178218 1210298345 /nfs/dbraw/zinc/29/83/45/1210298345.db2.gz NEWWDSDPXKWKBI-UHFFFAOYSA-N 2 2 370.457 0.511 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001221060884 1225204386 /nfs/dbraw/zinc/20/43/86/1225204386.db2.gz SDIUEBRZFUDITK-KRWDZBQOSA-N 2 2 356.426 0.700 20 0 FCADLP CCn1c2ccccc2nc1N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)C1 ZINC001221065984 1225206600 /nfs/dbraw/zinc/20/66/00/1225206600.db2.gz ZSTSVKNJLSUNNW-LZWOXQAQSA-N 2 2 356.474 0.830 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000875394638 1210370697 /nfs/dbraw/zinc/37/06/97/1210370697.db2.gz TXNXHUWHMBNYHZ-FGTMMUONSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000875394638 1210370700 /nfs/dbraw/zinc/37/07/00/1210370700.db2.gz TXNXHUWHMBNYHZ-FGTMMUONSA-N 2 2 368.522 0.774 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc(C)[nH+]1 ZINC000875419981 1210372010 /nfs/dbraw/zinc/37/20/10/1210372010.db2.gz NBYRNCGYAPHYGI-UHFFFAOYSA-N 2 2 373.501 0.553 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071572 1225208426 /nfs/dbraw/zinc/20/84/26/1225208426.db2.gz BBVYIQIFUKNZIL-WBVHZDCISA-N 2 2 364.494 0.144 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071572 1225208429 /nfs/dbraw/zinc/20/84/29/1225208429.db2.gz BBVYIQIFUKNZIL-WBVHZDCISA-N 2 2 364.494 0.144 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000875906713 1210396627 /nfs/dbraw/zinc/39/66/27/1210396627.db2.gz MJZAPWRXZMOBQP-OAHLLOKOSA-N 2 2 369.510 0.596 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000875906713 1210396631 /nfs/dbraw/zinc/39/66/31/1210396631.db2.gz MJZAPWRXZMOBQP-OAHLLOKOSA-N 2 2 369.510 0.596 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001221077117 1225212196 /nfs/dbraw/zinc/21/21/96/1225212196.db2.gz AUWCZRRNQZMOCE-CVEARBPZSA-N 2 2 371.428 0.805 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001221077117 1225212200 /nfs/dbraw/zinc/21/22/00/1225212200.db2.gz AUWCZRRNQZMOCE-CVEARBPZSA-N 2 2 371.428 0.805 20 0 FCADLP O=C(CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000877278632 1210442342 /nfs/dbraw/zinc/44/23/42/1210442342.db2.gz VIPSKBUABYZHTI-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001221079293 1225213619 /nfs/dbraw/zinc/21/36/19/1225213619.db2.gz SBIDOFRHAMULNC-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001221079293 1225213625 /nfs/dbraw/zinc/21/36/25/1225213625.db2.gz SBIDOFRHAMULNC-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571999 1210488847 /nfs/dbraw/zinc/48/88/47/1210488847.db2.gz MVLKPSXWVBNCOI-BRWVUGGUSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879571999 1210488854 /nfs/dbraw/zinc/48/88/54/1210488854.db2.gz MVLKPSXWVBNCOI-BRWVUGGUSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879571999 1210488865 /nfs/dbraw/zinc/48/88/65/1210488865.db2.gz MVLKPSXWVBNCOI-BRWVUGGUSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571999 1210488866 /nfs/dbraw/zinc/48/88/66/1210488866.db2.gz MVLKPSXWVBNCOI-BRWVUGGUSA-N 2 2 374.485 0.979 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001221095260 1225219254 /nfs/dbraw/zinc/21/92/54/1225219254.db2.gz CCYFWYGBCFBOBG-QYZOEREBSA-N 2 2 371.485 0.427 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001221095260 1225219259 /nfs/dbraw/zinc/21/92/59/1225219259.db2.gz CCYFWYGBCFBOBG-QYZOEREBSA-N 2 2 371.485 0.427 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000880251155 1210523261 /nfs/dbraw/zinc/52/32/61/1210523261.db2.gz IJXXYOPRGOOOGR-IAGOWNOFSA-N 2 2 369.506 0.349 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000881624814 1210594726 /nfs/dbraw/zinc/59/47/26/1210594726.db2.gz DPOBGGLEUMHBEK-OAHLLOKOSA-N 2 2 359.474 0.778 20 0 FCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000882490057 1210624294 /nfs/dbraw/zinc/62/42/94/1210624294.db2.gz XVHACEIOYUJFHX-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000882490057 1210624297 /nfs/dbraw/zinc/62/42/97/1210624297.db2.gz XVHACEIOYUJFHX-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001221114324 1225226904 /nfs/dbraw/zinc/22/69/04/1225226904.db2.gz VNVKXKPZNTZOBO-HUUCEWRRSA-N 2 2 360.458 0.360 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001221114323 1225227070 /nfs/dbraw/zinc/22/70/70/1225227070.db2.gz VNVKXKPZNTZOBO-GJZGRUSLSA-N 2 2 360.458 0.360 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cccc3c2CCOC3)CN1CC[NH+]1CCOCC1 ZINC000883015788 1210648350 /nfs/dbraw/zinc/64/83/50/1210648350.db2.gz CRNIPSNQWHDURO-SFHVURJKSA-N 2 2 359.470 0.782 20 0 FCADLP C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000883303142 1210660786 /nfs/dbraw/zinc/66/07/86/1210660786.db2.gz QFEWMJWOJOERLA-ZDUSSCGKSA-N 2 2 358.446 0.813 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884205779 1210722726 /nfs/dbraw/zinc/72/27/26/1210722726.db2.gz FZZJPQCUXKKUDS-DLBZAZTESA-N 2 2 360.506 0.938 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884528839 1210745423 /nfs/dbraw/zinc/74/54/23/1210745423.db2.gz ZMJYOUJSAPRSFY-HNNXBMFYSA-N 2 2 371.441 0.225 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884628386 1210767088 /nfs/dbraw/zinc/76/70/88/1210767088.db2.gz XRBNMBQCJRLRKN-UHFFFAOYSA-N 2 2 359.474 0.623 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884644346 1210771363 /nfs/dbraw/zinc/77/13/63/1210771363.db2.gz LZKJYTNAPNYHPW-QWHCGFSZSA-N 2 2 367.400 0.138 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000885007454 1210807755 /nfs/dbraw/zinc/80/77/55/1210807755.db2.gz AKIHLJBEWDTKJD-BJWYYQGGSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1cc[nH+]c1 ZINC000885010724 1210807901 /nfs/dbraw/zinc/80/79/01/1210807901.db2.gz SDJQHTVZDCMWGF-KSWRQPAISA-N 2 2 359.474 0.939 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000885020427 1210809151 /nfs/dbraw/zinc/80/91/51/1210809151.db2.gz JRBLDCYEAODHFS-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000885020427 1210809152 /nfs/dbraw/zinc/80/91/52/1210809152.db2.gz JRBLDCYEAODHFS-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000885021944 1210809817 /nfs/dbraw/zinc/80/98/17/1210809817.db2.gz HRAIKYYRAFABPV-GOSISDBHSA-N 2 2 374.485 0.516 20 0 FCADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000885021944 1210809818 /nfs/dbraw/zinc/80/98/18/1210809818.db2.gz HRAIKYYRAFABPV-GOSISDBHSA-N 2 2 374.485 0.516 20 0 FCADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000885161164 1210813969 /nfs/dbraw/zinc/81/39/69/1210813969.db2.gz CECUFEXERXSABE-KRWDZBQOSA-N 2 2 367.453 0.946 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000885226996 1210816061 /nfs/dbraw/zinc/81/60/61/1210816061.db2.gz DOUKHAPVBZPHQS-DLBZAZTESA-N 2 2 355.442 0.951 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000885895681 1210821593 /nfs/dbraw/zinc/82/15/93/1210821593.db2.gz KJGUAOAVQLBMNX-KSZLIROESA-N 2 2 367.490 0.236 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000885895681 1210821596 /nfs/dbraw/zinc/82/15/96/1210821596.db2.gz KJGUAOAVQLBMNX-KSZLIROESA-N 2 2 367.490 0.236 20 0 FCADLP CCN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@@H]1CC[NH2+]C1 ZINC000886850506 1210837901 /nfs/dbraw/zinc/83/79/01/1210837901.db2.gz IHEHLVOPVCJMBP-LJQANCHMSA-N 2 2 372.513 0.950 20 0 FCADLP CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H]1CC[NH2+]C1 ZINC000887004610 1210842429 /nfs/dbraw/zinc/84/24/29/1210842429.db2.gz RRKFRZPBSVPRKG-CQSZACIVSA-N 2 2 361.446 0.376 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C)c1ccco1 ZINC001691720142 1210843551 /nfs/dbraw/zinc/84/35/51/1210843551.db2.gz SXIKIGJFFHNAJV-ZNMIVQPWSA-N 2 2 350.463 0.988 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C)c1ccco1 ZINC001691720142 1210843553 /nfs/dbraw/zinc/84/35/53/1210843553.db2.gz SXIKIGJFFHNAJV-ZNMIVQPWSA-N 2 2 350.463 0.988 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887080575 1210846039 /nfs/dbraw/zinc/84/60/39/1210846039.db2.gz ANYCUAOLSJYONZ-DNVCBOLYSA-N 2 2 359.474 0.728 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001221159900 1225245916 /nfs/dbraw/zinc/24/59/16/1225245916.db2.gz YOIUWOHXZAWWIF-SJORKVTESA-N 2 2 371.441 0.124 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001221159900 1225245919 /nfs/dbraw/zinc/24/59/19/1225245919.db2.gz YOIUWOHXZAWWIF-SJORKVTESA-N 2 2 371.441 0.124 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756681 1210948128 /nfs/dbraw/zinc/94/81/28/1210948128.db2.gz OEODFXFNVRAUBO-HOTGVXAUSA-N 2 2 372.473 0.894 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001110844152 1210990763 /nfs/dbraw/zinc/99/07/63/1210990763.db2.gz LVBQOHXUMKYLLV-ZACQAIPSSA-N 2 2 369.469 0.973 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001110844152 1210990766 /nfs/dbraw/zinc/99/07/66/1210990766.db2.gz LVBQOHXUMKYLLV-ZACQAIPSSA-N 2 2 369.469 0.973 20 0 FCADLP C[N@@H+]1CCC12CN(C(=O)C1C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001274709032 1211106106 /nfs/dbraw/zinc/10/61/06/1211106106.db2.gz SBACPUPDGRTLBW-HNNXBMFYSA-N 2 2 364.490 0.844 20 0 FCADLP C[N@H+]1CCC12CN(C(=O)C1C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001274709032 1211106109 /nfs/dbraw/zinc/10/61/09/1211106109.db2.gz SBACPUPDGRTLBW-HNNXBMFYSA-N 2 2 364.490 0.844 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)COCC23C[NH+](CC2CCCC2)C3)CC1 ZINC001275130336 1211176979 /nfs/dbraw/zinc/17/69/79/1211176979.db2.gz LDQLZUJYOAVNFO-UHFFFAOYSA-N 2 2 364.534 0.727 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)CCCC[N@@H+]2CCN1CCOCC1 ZINC001275287742 1211208981 /nfs/dbraw/zinc/20/89/81/1211208981.db2.gz SBQPNEGKQUPGMM-IBGZPJMESA-N 2 2 361.490 0.672 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)CCCC[N@H+]2CCN1CCOCC1 ZINC001275287742 1211208982 /nfs/dbraw/zinc/20/89/82/1211208982.db2.gz SBQPNEGKQUPGMM-IBGZPJMESA-N 2 2 361.490 0.672 20 0 FCADLP COc1ncc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275366643 1211224181 /nfs/dbraw/zinc/22/41/81/1211224181.db2.gz XHVPPCLWKJUPLG-SFHVURJKSA-N 2 2 363.462 0.098 20 0 FCADLP COc1ncc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275366643 1211224183 /nfs/dbraw/zinc/22/41/83/1211224183.db2.gz XHVPPCLWKJUPLG-SFHVURJKSA-N 2 2 363.462 0.098 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392201 1211230549 /nfs/dbraw/zinc/23/05/49/1211230549.db2.gz GWQUTKXXCLGOBT-KDOFPFPSSA-N 2 2 361.446 0.334 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392201 1211230552 /nfs/dbraw/zinc/23/05/52/1211230552.db2.gz GWQUTKXXCLGOBT-KDOFPFPSSA-N 2 2 361.446 0.334 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3cnoc3)C2)C1 ZINC001275455816 1211241738 /nfs/dbraw/zinc/24/17/38/1211241738.db2.gz QDHWVHVLMXVERF-SFHVURJKSA-N 2 2 357.414 0.733 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3cnoc3)C2)C1 ZINC001275455816 1211241739 /nfs/dbraw/zinc/24/17/39/1211241739.db2.gz QDHWVHVLMXVERF-SFHVURJKSA-N 2 2 357.414 0.733 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456206 1211242789 /nfs/dbraw/zinc/24/27/89/1211242789.db2.gz VYASOVUDRDRCLS-IBGZPJMESA-N 2 2 360.458 0.724 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001275456206 1211242791 /nfs/dbraw/zinc/24/27/91/1211242791.db2.gz VYASOVUDRDRCLS-IBGZPJMESA-N 2 2 360.458 0.724 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(OC)n1 ZINC001275735781 1211278665 /nfs/dbraw/zinc/27/86/65/1211278665.db2.gz WYJXTXSUTYGQOG-HUUCEWRRSA-N 2 2 363.462 0.621 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(OC)n1 ZINC001275735781 1211278667 /nfs/dbraw/zinc/27/86/67/1211278667.db2.gz WYJXTXSUTYGQOG-HUUCEWRRSA-N 2 2 363.462 0.621 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275738218 1211279411 /nfs/dbraw/zinc/27/94/11/1211279411.db2.gz VWOTWCZSPCHGHE-LJQANCHMSA-N 3 2 359.474 0.724 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275738218 1211279413 /nfs/dbraw/zinc/27/94/13/1211279413.db2.gz VWOTWCZSPCHGHE-LJQANCHMSA-N 3 2 359.474 0.724 20 0 FCADLP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(C(C)(C)C(=O)NC)C(=O)CO3)CC1 ZINC001275877322 1211302869 /nfs/dbraw/zinc/30/28/69/1211302869.db2.gz ATIARBFBNREXSP-UHFFFAOYSA-N 2 2 366.506 0.156 20 0 FCADLP Nc1nccnc1C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001276049201 1211340092 /nfs/dbraw/zinc/34/00/92/1211340092.db2.gz MICPRDPPNRKFJK-CQSZACIVSA-N 2 2 355.446 0.674 20 0 FCADLP Cc1nccnc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095611061 1211426422 /nfs/dbraw/zinc/42/64/22/1211426422.db2.gz BLEVGHHVVGMTED-CNGORYIKSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1nccnc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095611061 1211426423 /nfs/dbraw/zinc/42/64/23/1211426423.db2.gz BLEVGHHVVGMTED-CNGORYIKSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611061 1211426427 /nfs/dbraw/zinc/42/64/27/1211426427.db2.gz BLEVGHHVVGMTED-CNGORYIKSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611061 1211426430 /nfs/dbraw/zinc/42/64/30/1211426430.db2.gz BLEVGHHVVGMTED-CNGORYIKSA-N 2 2 359.474 0.726 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001095625675 1211429602 /nfs/dbraw/zinc/42/96/02/1211429602.db2.gz BLHBDSGSPVKBMP-UGUYLWEFSA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001095625675 1211429606 /nfs/dbraw/zinc/42/96/06/1211429606.db2.gz BLHBDSGSPVKBMP-UGUYLWEFSA-N 2 2 362.474 0.341 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001095625675 1211429607 /nfs/dbraw/zinc/42/96/07/1211429607.db2.gz BLHBDSGSPVKBMP-UGUYLWEFSA-N 2 2 362.474 0.341 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001095645739 1211433740 /nfs/dbraw/zinc/43/37/40/1211433740.db2.gz FEMLAIYFKUBGRI-JHNDHUHGSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001095645739 1211433742 /nfs/dbraw/zinc/43/37/42/1211433742.db2.gz FEMLAIYFKUBGRI-JHNDHUHGSA-N 2 2 355.446 0.459 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000546571769 1211437205 /nfs/dbraw/zinc/43/72/05/1211437205.db2.gz WHMQDGOPGNTMBU-IBGZPJMESA-N 2 2 371.441 0.708 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000546571769 1211437208 /nfs/dbraw/zinc/43/72/08/1211437208.db2.gz WHMQDGOPGNTMBU-IBGZPJMESA-N 2 2 371.441 0.708 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695189 1211449841 /nfs/dbraw/zinc/44/98/41/1211449841.db2.gz MQZTZDJZXYKKLQ-BSWAZPDLSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001095695189 1211449844 /nfs/dbraw/zinc/44/98/44/1211449844.db2.gz MQZTZDJZXYKKLQ-BSWAZPDLSA-N 2 2 353.426 0.948 20 0 FCADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC000924807943 1211481681 /nfs/dbraw/zinc/48/16/81/1211481681.db2.gz PCYJUUVGBPFLIV-MRXNPFEDSA-N 2 2 359.474 0.218 20 0 FCADLP CN(C(=O)NCC1CC2(C1)OCCO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927089646 1211564580 /nfs/dbraw/zinc/56/45/80/1211564580.db2.gz DSYXZHVSKKJXCM-QGZVFWFLSA-N 2 2 366.506 0.949 20 0 FCADLP CN(C(=O)NCC1CC2(C1)OCCO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927089646 1211564583 /nfs/dbraw/zinc/56/45/83/1211564583.db2.gz DSYXZHVSKKJXCM-QGZVFWFLSA-N 2 2 366.506 0.949 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001221337495 1225299895 /nfs/dbraw/zinc/29/98/95/1225299895.db2.gz LMMNYAIPANFBPZ-FUHWJXTLSA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001221337495 1225299898 /nfs/dbraw/zinc/29/98/98/1225299898.db2.gz LMMNYAIPANFBPZ-FUHWJXTLSA-N 2 2 354.458 0.957 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[nH+]1 ZINC000929155501 1211619660 /nfs/dbraw/zinc/61/96/60/1211619660.db2.gz GADMODSNPJGSNE-AWEZNQCLSA-N 2 2 359.430 0.930 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)CC1 ZINC001110978954 1211673514 /nfs/dbraw/zinc/67/35/14/1211673514.db2.gz JRZGDPSYEXJNLG-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)CC1 ZINC001110978954 1211673517 /nfs/dbraw/zinc/67/35/17/1211673517.db2.gz JRZGDPSYEXJNLG-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110978973 1211673920 /nfs/dbraw/zinc/67/39/20/1211673920.db2.gz KWRWNLMROAUKQD-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110978973 1211673924 /nfs/dbraw/zinc/67/39/24/1211673924.db2.gz KWRWNLMROAUKQD-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980185 1211683709 /nfs/dbraw/zinc/68/37/09/1211683709.db2.gz UHZFETMKICVXLO-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980185 1211683712 /nfs/dbraw/zinc/68/37/12/1211683712.db2.gz UHZFETMKICVXLO-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000930171793 1211694313 /nfs/dbraw/zinc/69/43/13/1211694313.db2.gz VQBICYVXNMGVDN-DOTOQJQBSA-N 2 2 373.501 0.414 20 0 FCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000930171793 1211694317 /nfs/dbraw/zinc/69/43/17/1211694317.db2.gz VQBICYVXNMGVDN-DOTOQJQBSA-N 2 2 373.501 0.414 20 0 FCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000931665425 1211769826 /nfs/dbraw/zinc/76/98/26/1211769826.db2.gz XCTVSMRBESGOFJ-SFHVURJKSA-N 2 2 374.485 0.249 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000947073322 1211780396 /nfs/dbraw/zinc/78/03/96/1211780396.db2.gz RDWFXBXGIDZGBI-INMHGKMJSA-N 2 2 359.474 0.961 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621673 1211814026 /nfs/dbraw/zinc/81/40/26/1211814026.db2.gz NGJIIBIPXNJDLA-RDTXWAMCSA-N 2 2 374.489 0.506 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621673 1211814028 /nfs/dbraw/zinc/81/40/28/1211814028.db2.gz NGJIIBIPXNJDLA-RDTXWAMCSA-N 2 2 374.489 0.506 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)n1cc[nH+]c1 ZINC001111078225 1211865394 /nfs/dbraw/zinc/86/53/94/1211865394.db2.gz PDVQUUQDIHGSAY-FPCVCCKLSA-N 2 2 360.462 0.581 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)n1cc[nH+]c1 ZINC001111078225 1211865397 /nfs/dbraw/zinc/86/53/97/1211865397.db2.gz PDVQUUQDIHGSAY-FPCVCCKLSA-N 2 2 360.462 0.581 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111150657 1211900781 /nfs/dbraw/zinc/90/07/81/1211900781.db2.gz QJAZYOOGBHOMJB-OAGGEKHMSA-N 2 2 366.506 0.345 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111150657 1211900784 /nfs/dbraw/zinc/90/07/84/1211900784.db2.gz QJAZYOOGBHOMJB-OAGGEKHMSA-N 2 2 366.506 0.345 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111221964 1211933051 /nfs/dbraw/zinc/93/30/51/1211933051.db2.gz ILPDTZCWWDZYCQ-HPFXQQBRSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111221964 1211933053 /nfs/dbraw/zinc/93/30/53/1211933053.db2.gz ILPDTZCWWDZYCQ-HPFXQQBRSA-N 2 2 371.441 0.610 20 0 FCADLP C[NH+](C)C1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000158827912 1211942629 /nfs/dbraw/zinc/94/26/29/1211942629.db2.gz CDIPPSCJBPJEDW-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771931 1211985940 /nfs/dbraw/zinc/98/59/40/1211985940.db2.gz FRNFTSLWEJDMIV-KPEUIFRASA-N 2 2 373.501 0.960 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771931 1211985944 /nfs/dbraw/zinc/98/59/44/1211985944.db2.gz FRNFTSLWEJDMIV-KPEUIFRASA-N 2 2 373.501 0.960 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000947500650 1212037247 /nfs/dbraw/zinc/03/72/47/1212037247.db2.gz SAPHWKCKCLZLLD-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000947500650 1212037256 /nfs/dbraw/zinc/03/72/56/1212037256.db2.gz SAPHWKCKCLZLLD-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000947500650 1212037264 /nfs/dbraw/zinc/03/72/64/1212037264.db2.gz SAPHWKCKCLZLLD-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000947500650 1212037271 /nfs/dbraw/zinc/03/72/71/1212037271.db2.gz SAPHWKCKCLZLLD-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1)C1CC1 ZINC000968605047 1212044722 /nfs/dbraw/zinc/04/47/22/1212044722.db2.gz HEMBMVIGAWSWSF-IXDOHACOSA-N 2 2 371.441 0.205 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540941 1212196655 /nfs/dbraw/zinc/19/66/55/1212196655.db2.gz ASKVCFIUDKYDRX-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540941 1212196658 /nfs/dbraw/zinc/19/66/58/1212196658.db2.gz ASKVCFIUDKYDRX-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540941 1212196663 /nfs/dbraw/zinc/19/66/63/1212196663.db2.gz ASKVCFIUDKYDRX-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540941 1212196668 /nfs/dbraw/zinc/19/66/68/1212196668.db2.gz ASKVCFIUDKYDRX-VNQPRFMTSA-N 2 2 365.478 0.910 20 0 FCADLP O=C(NC[C@H]1CCCCC[N@@H+]1CCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000968962358 1212202946 /nfs/dbraw/zinc/20/29/46/1212202946.db2.gz APFOUIBVXXRSSK-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001006724317 1212331341 /nfs/dbraw/zinc/33/13/41/1212331341.db2.gz SJNVCTGFZKGHPC-VQHPVUNQSA-N 2 2 357.458 0.542 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001007187807 1212420574 /nfs/dbraw/zinc/42/05/74/1212420574.db2.gz YROJRDLUFVYDJK-GMBSWORKSA-N 2 2 359.474 0.852 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001007187807 1212420577 /nfs/dbraw/zinc/42/05/77/1212420577.db2.gz YROJRDLUFVYDJK-GMBSWORKSA-N 2 2 359.474 0.852 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949887527 1212480149 /nfs/dbraw/zinc/48/01/49/1212480149.db2.gz YINYDFWBEDVCMM-OIISXLGYSA-N 2 2 361.490 0.800 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949887527 1212480154 /nfs/dbraw/zinc/48/01/54/1212480154.db2.gz YINYDFWBEDVCMM-OIISXLGYSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001007481134 1212502708 /nfs/dbraw/zinc/50/27/08/1212502708.db2.gz FDHCNBANTYZDTN-LPHOPBHVSA-N 2 2 359.474 0.785 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)CC[N@@H+]1C ZINC001007520726 1212516407 /nfs/dbraw/zinc/51/64/07/1212516407.db2.gz XNFBNQVKRCZMMB-GJRWTSMGSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)CC[N@H+]1C ZINC001007520726 1212516410 /nfs/dbraw/zinc/51/64/10/1212516410.db2.gz XNFBNQVKRCZMMB-GJRWTSMGSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)CC[N@@H+]1C ZINC001007524110 1212517063 /nfs/dbraw/zinc/51/70/63/1212517063.db2.gz IMDVDQIWUXFYQE-DZASIIFFSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)CC[N@H+]1C ZINC001007524110 1212517070 /nfs/dbraw/zinc/51/70/70/1212517070.db2.gz IMDVDQIWUXFYQE-DZASIIFFSA-N 2 2 359.474 0.790 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)C1 ZINC001007848151 1212590525 /nfs/dbraw/zinc/59/05/25/1212590525.db2.gz NQNLZKPFSFNGCO-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)C1 ZINC001007848151 1212590531 /nfs/dbraw/zinc/59/05/31/1212590531.db2.gz NQNLZKPFSFNGCO-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c[nH+]1 ZINC000950701220 1212633859 /nfs/dbraw/zinc/63/38/59/1212633859.db2.gz UIXLWIPUGQEXKM-FVQBIDKESA-N 2 2 361.490 0.841 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c[nH+]1 ZINC000950701220 1212633862 /nfs/dbraw/zinc/63/38/62/1212633862.db2.gz UIXLWIPUGQEXKM-FVQBIDKESA-N 2 2 361.490 0.841 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000950894841 1212705594 /nfs/dbraw/zinc/70/55/94/1212705594.db2.gz PBQSOIFZEFZLPW-WQVCFCJDSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000950894841 1212705596 /nfs/dbraw/zinc/70/55/96/1212705596.db2.gz PBQSOIFZEFZLPW-WQVCFCJDSA-N 2 2 363.462 0.407 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000951238012 1212802022 /nfs/dbraw/zinc/80/20/22/1212802022.db2.gz BPHDNVUZZDOVKX-FVQBIDKESA-N 2 2 363.462 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000951238012 1212802024 /nfs/dbraw/zinc/80/20/24/1212802024.db2.gz BPHDNVUZZDOVKX-FVQBIDKESA-N 2 2 363.462 0.018 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000951250832 1212803557 /nfs/dbraw/zinc/80/35/57/1212803557.db2.gz QGPICPHFYHYKQO-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000951250832 1212803559 /nfs/dbraw/zinc/80/35/59/1212803559.db2.gz QGPICPHFYHYKQO-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001221620633 1225400439 /nfs/dbraw/zinc/40/04/39/1225400439.db2.gz PJHAQLFOAVJZHN-SJLPKXTDSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001221620633 1225400446 /nfs/dbraw/zinc/40/04/46/1225400446.db2.gz PJHAQLFOAVJZHN-SJLPKXTDSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001221620633 1225400451 /nfs/dbraw/zinc/40/04/51/1225400451.db2.gz PJHAQLFOAVJZHN-SJLPKXTDSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001221620633 1225400457 /nfs/dbraw/zinc/40/04/57/1225400457.db2.gz PJHAQLFOAVJZHN-SJLPKXTDSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221627669 1225405764 /nfs/dbraw/zinc/40/57/64/1225405764.db2.gz QZSDWCRCGZXBDM-FGTMMUONSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221627669 1225405767 /nfs/dbraw/zinc/40/57/67/1225405767.db2.gz QZSDWCRCGZXBDM-FGTMMUONSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221627669 1225405771 /nfs/dbraw/zinc/40/57/71/1225405771.db2.gz QZSDWCRCGZXBDM-FGTMMUONSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221627669 1225405777 /nfs/dbraw/zinc/40/57/77/1225405777.db2.gz QZSDWCRCGZXBDM-FGTMMUONSA-N 2 2 362.518 0.920 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)on1 ZINC001691737546 1212885227 /nfs/dbraw/zinc/88/52/27/1212885227.db2.gz IWYXKRMZPSYELQ-CJNGLKHVSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)[C@H]2C)on1 ZINC001691737546 1212885230 /nfs/dbraw/zinc/88/52/30/1212885230.db2.gz IWYXKRMZPSYELQ-CJNGLKHVSA-N 2 2 366.462 0.873 20 0 FCADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)ncn1 ZINC001111411981 1213009576 /nfs/dbraw/zinc/00/95/76/1213009576.db2.gz XNLSVWWGJWXNDZ-PIKADFDJSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)ncn1 ZINC001111411981 1213009580 /nfs/dbraw/zinc/00/95/80/1213009580.db2.gz XNLSVWWGJWXNDZ-PIKADFDJSA-N 2 2 373.501 0.975 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@@H+]1C ZINC000954598567 1213085337 /nfs/dbraw/zinc/08/53/37/1213085337.db2.gz DIXIOTYNCZIQJG-CKEIUWERSA-N 2 2 359.474 0.455 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@H+]1C ZINC000954598567 1213085338 /nfs/dbraw/zinc/08/53/38/1213085338.db2.gz DIXIOTYNCZIQJG-CKEIUWERSA-N 2 2 359.474 0.455 20 0 FCADLP 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365.478 0.823 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287007 1214328148 /nfs/dbraw/zinc/32/81/48/1214328148.db2.gz RXSSDZSNFDVAPH-DHGKCCLASA-N 2 2 367.450 0.233 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287007 1214328154 /nfs/dbraw/zinc/32/81/54/1214328154.db2.gz RXSSDZSNFDVAPH-DHGKCCLASA-N 2 2 367.450 0.233 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N(C)C)CC2 ZINC001095933934 1214371125 /nfs/dbraw/zinc/37/11/25/1214371125.db2.gz GNTOAAFGMBOMGB-JHNDHUHGSA-N 2 2 359.474 0.564 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N(C)C)CC2 ZINC001095933934 1214371129 /nfs/dbraw/zinc/37/11/29/1214371129.db2.gz GNTOAAFGMBOMGB-JHNDHUHGSA-N 2 2 359.474 0.564 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221883475 1225522642 /nfs/dbraw/zinc/52/26/42/1225522642.db2.gz HENYPEABAOLJPU-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C[C@H]21 ZINC001221883475 1225522643 /nfs/dbraw/zinc/52/26/43/1225522643.db2.gz HENYPEABAOLJPU-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039606664 1214406012 /nfs/dbraw/zinc/40/60/12/1214406012.db2.gz IMQLRGRQWZISQO-ZNMIVQPWSA-N 2 2 356.434 0.192 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039606664 1214406015 /nfs/dbraw/zinc/40/60/15/1214406015.db2.gz IMQLRGRQWZISQO-ZNMIVQPWSA-N 2 2 356.434 0.192 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(c4cc(C)[nH+]c(C)n4)C[C@H]32)C1 ZINC001040643159 1214549792 /nfs/dbraw/zinc/54/97/92/1214549792.db2.gz BSLFMKYUNCBAJU-BBWFWOEESA-N 2 2 359.474 0.851 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(c4cc(C)[nH+]c(C)n4)C[C@H]32)C1 ZINC001040643159 1214549798 /nfs/dbraw/zinc/54/97/98/1214549798.db2.gz BSLFMKYUNCBAJU-BBWFWOEESA-N 2 2 359.474 0.851 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221921986 1225536235 /nfs/dbraw/zinc/53/62/35/1225536235.db2.gz UMHQOPXEXXXNBX-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221921986 1225536238 /nfs/dbraw/zinc/53/62/38/1225536238.db2.gz UMHQOPXEXXXNBX-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221921986 1225536243 /nfs/dbraw/zinc/53/62/43/1225536243.db2.gz UMHQOPXEXXXNBX-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221921986 1225536246 /nfs/dbraw/zinc/53/62/46/1225536246.db2.gz UMHQOPXEXXXNBX-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C(N)=O)[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001040856442 1214606674 /nfs/dbraw/zinc/60/66/74/1214606674.db2.gz SJMXYKIOSDCXFV-RBSFLKMASA-N 2 2 359.474 0.712 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221946987 1225546634 /nfs/dbraw/zinc/54/66/34/1225546634.db2.gz LWCHLXAIPLUENO-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221946987 1225546638 /nfs/dbraw/zinc/54/66/38/1225546638.db2.gz LWCHLXAIPLUENO-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951846 1225550713 /nfs/dbraw/zinc/55/07/13/1225550713.db2.gz HBSXCMQYMONWQI-CRAIPNDOSA-N 2 2 362.474 0.957 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221951846 1225550718 /nfs/dbraw/zinc/55/07/18/1225550718.db2.gz HBSXCMQYMONWQI-CRAIPNDOSA-N 2 2 362.474 0.957 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc(C2CC2)[nH+]1 ZINC001041183712 1214738809 /nfs/dbraw/zinc/73/88/09/1214738809.db2.gz ZCBSDQVPGDJFGD-BRWVUGGUSA-N 2 2 371.485 0.670 20 0 FCADLP Cc1noc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000963550881 1214820489 /nfs/dbraw/zinc/82/04/89/1214820489.db2.gz IWQVLUKOAGAMPK-TWRYWWQQSA-N 2 2 365.478 0.956 20 0 FCADLP Cc1noc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000963550881 1214820493 /nfs/dbraw/zinc/82/04/93/1214820493.db2.gz IWQVLUKOAGAMPK-TWRYWWQQSA-N 2 2 365.478 0.956 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)O1 ZINC000964530568 1214974366 /nfs/dbraw/zinc/97/43/66/1214974366.db2.gz YOENAPJEVXVJHI-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)O1 ZINC000964530568 1214974368 /nfs/dbraw/zinc/97/43/68/1214974368.db2.gz YOENAPJEVXVJHI-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)O1 ZINC000964992362 1215014226 /nfs/dbraw/zinc/01/42/26/1215014226.db2.gz XQYOKMFQNCBWIW-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)O1 ZINC000964992362 1215014230 /nfs/dbraw/zinc/01/42/30/1215014230.db2.gz XQYOKMFQNCBWIW-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001222018336 1225578644 /nfs/dbraw/zinc/57/86/44/1225578644.db2.gz XSNSTHTUCRSVNM-DJIMGWMZSA-N 2 2 361.490 0.980 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001222018336 1225578646 /nfs/dbraw/zinc/57/86/46/1225578646.db2.gz XSNSTHTUCRSVNM-DJIMGWMZSA-N 2 2 361.490 0.980 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001222050693 1225591132 /nfs/dbraw/zinc/59/11/32/1225591132.db2.gz CWALNBMHSAXCTG-FGTMMUONSA-N 2 2 362.518 0.920 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001222050693 1225591138 /nfs/dbraw/zinc/59/11/38/1225591138.db2.gz CWALNBMHSAXCTG-FGTMMUONSA-N 2 2 362.518 0.920 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001222050693 1225591143 /nfs/dbraw/zinc/59/11/43/1225591143.db2.gz CWALNBMHSAXCTG-FGTMMUONSA-N 2 2 362.518 0.920 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000248061 1216026469 /nfs/dbraw/zinc/02/64/69/1216026469.db2.gz VKYOWQAMNVBWFU-FVQBIDKESA-N 2 2 357.462 0.916 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)[C@@H](c2ccccc2)C1 ZINC001000359553 1216041890 /nfs/dbraw/zinc/04/18/90/1216041890.db2.gz STCOYOXMDGGHKZ-MSOLQXFVSA-N 2 2 367.453 0.556 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)[C@@H](c2ccccc2)C1 ZINC001000359553 1216041891 /nfs/dbraw/zinc/04/18/91/1216041891.db2.gz STCOYOXMDGGHKZ-MSOLQXFVSA-N 2 2 367.453 0.556 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]cn2C)C1 ZINC001000475065 1216067021 /nfs/dbraw/zinc/06/70/21/1216067021.db2.gz DRXDANSLVNSUMW-MVJTYMMSSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]cn2C)C1 ZINC001000475065 1216067026 /nfs/dbraw/zinc/06/70/26/1216067026.db2.gz DRXDANSLVNSUMW-MVJTYMMSSA-N 2 2 373.501 0.943 20 0 FCADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001000835484 1216118540 /nfs/dbraw/zinc/11/85/40/1216118540.db2.gz BQDITTWEWMDAPL-CRAIPNDOSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001000835484 1216118541 /nfs/dbraw/zinc/11/85/41/1216118541.db2.gz BQDITTWEWMDAPL-CRAIPNDOSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC001000835484 1216118543 /nfs/dbraw/zinc/11/85/43/1216118543.db2.gz BQDITTWEWMDAPL-CRAIPNDOSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1cc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC001000835484 1216118544 /nfs/dbraw/zinc/11/85/44/1216118544.db2.gz BQDITTWEWMDAPL-CRAIPNDOSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000844678 1216119975 /nfs/dbraw/zinc/11/99/75/1216119975.db2.gz OGFKQHJLGNIQNE-RDTXWAMCSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000844678 1216119976 /nfs/dbraw/zinc/11/99/76/1216119976.db2.gz OGFKQHJLGNIQNE-RDTXWAMCSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000844678 1216119978 /nfs/dbraw/zinc/11/99/78/1216119978.db2.gz OGFKQHJLGNIQNE-RDTXWAMCSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000844678 1216119979 /nfs/dbraw/zinc/11/99/79/1216119979.db2.gz OGFKQHJLGNIQNE-RDTXWAMCSA-N 2 2 361.490 0.696 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H]2C1 ZINC001222799651 1225654450 /nfs/dbraw/zinc/65/44/50/1225654450.db2.gz NRCXVZUTIQBKCM-OIISXLGYSA-N 2 2 366.485 0.918 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H]2C1 ZINC001222799651 1225654451 /nfs/dbraw/zinc/65/44/51/1225654451.db2.gz NRCXVZUTIQBKCM-OIISXLGYSA-N 2 2 366.485 0.918 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001057460754 1216336241 /nfs/dbraw/zinc/33/62/41/1216336241.db2.gz LMYABBOTSVYBJS-LSDHHAIUSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001057460754 1216336247 /nfs/dbraw/zinc/33/62/47/1216336247.db2.gz LMYABBOTSVYBJS-LSDHHAIUSA-N 2 2 365.478 0.010 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1c1[nH+]cnc2c1cnn2C ZINC001050639017 1216343465 /nfs/dbraw/zinc/34/34/65/1216343465.db2.gz AEQWXMCDSFXMEB-KCXAZCMYSA-N 2 2 369.473 0.789 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050669992 1216347752 /nfs/dbraw/zinc/34/77/52/1216347752.db2.gz WVPQQLXJSGDJDR-HZPDHXFCSA-N 2 2 369.473 0.740 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2COCC[NH+]2CCC2CCOCC2)O1 ZINC001050987834 1216386564 /nfs/dbraw/zinc/38/65/64/1216386564.db2.gz WDLDEOTXQDLISZ-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2COCC[NH+]2CCC2CCOCC2)O1 ZINC001050987834 1216386571 /nfs/dbraw/zinc/38/65/71/1216386571.db2.gz WDLDEOTXQDLISZ-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2COCC[N@@H+]2CCC2CCOCC2)O1 ZINC001050987834 1216386579 /nfs/dbraw/zinc/38/65/79/1216386579.db2.gz WDLDEOTXQDLISZ-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2COCC[N@H+]2CCC2CCOCC2)O1 ZINC001050987834 1216386585 /nfs/dbraw/zinc/38/65/85/1216386585.db2.gz WDLDEOTXQDLISZ-BPQIPLTHSA-N 2 2 369.506 0.339 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)n1 ZINC001051834455 1216484599 /nfs/dbraw/zinc/48/45/99/1216484599.db2.gz NZDSJINGDOSOQX-ARFHVFGLSA-N 2 2 358.446 0.274 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930657 1216850039 /nfs/dbraw/zinc/85/00/39/1216850039.db2.gz WMFCLXCZLHUWJH-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930657 1216850043 /nfs/dbraw/zinc/85/00/43/1216850043.db2.gz WMFCLXCZLHUWJH-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930657 1216850046 /nfs/dbraw/zinc/85/00/46/1216850046.db2.gz WMFCLXCZLHUWJH-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930657 1216850047 /nfs/dbraw/zinc/85/00/47/1216850047.db2.gz WMFCLXCZLHUWJH-YYQUZTFQSA-N 2 2 373.461 0.456 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962300 1216869766 /nfs/dbraw/zinc/86/97/66/1216869766.db2.gz OQYUHTCBBDUGIK-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962300 1216869770 /nfs/dbraw/zinc/86/97/70/1216869770.db2.gz OQYUHTCBBDUGIK-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963301 1216870395 /nfs/dbraw/zinc/87/03/95/1216870395.db2.gz FBRWYKNDBAAHKD-XHSDSOJGSA-N 2 2 357.462 0.879 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963301 1216870398 /nfs/dbraw/zinc/87/03/98/1216870398.db2.gz FBRWYKNDBAAHKD-XHSDSOJGSA-N 2 2 357.462 0.879 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040965 1216917047 /nfs/dbraw/zinc/91/70/47/1216917047.db2.gz OJCOZLQBCHSFGE-CABCVRRESA-N 2 2 361.450 0.286 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040965 1216917050 /nfs/dbraw/zinc/91/70/50/1216917050.db2.gz OJCOZLQBCHSFGE-CABCVRRESA-N 2 2 361.450 0.286 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001223425154 1225705539 /nfs/dbraw/zinc/70/55/39/1225705539.db2.gz NVFQQFBXRVVXNY-NJAFHUGGSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001223425154 1225705542 /nfs/dbraw/zinc/70/55/42/1225705542.db2.gz NVFQQFBXRVVXNY-NJAFHUGGSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001223425154 1225705544 /nfs/dbraw/zinc/70/55/44/1225705544.db2.gz NVFQQFBXRVVXNY-NJAFHUGGSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001223425154 1225705548 /nfs/dbraw/zinc/70/55/48/1225705548.db2.gz NVFQQFBXRVVXNY-NJAFHUGGSA-N 2 2 359.474 0.790 20 0 FCADLP COCCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)n1 ZINC001223430147 1225705644 /nfs/dbraw/zinc/70/56/44/1225705644.db2.gz HZQGNVNBBHYLAU-CABCVRRESA-N 2 2 365.478 0.633 20 0 FCADLP COCCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)n1 ZINC001223430147 1225705648 /nfs/dbraw/zinc/70/56/48/1225705648.db2.gz HZQGNVNBBHYLAU-CABCVRRESA-N 2 2 365.478 0.633 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCOC4)[C@H]2C1 ZINC001223431176 1225705968 /nfs/dbraw/zinc/70/59/68/1225705968.db2.gz WJFRRFXEECQRPG-CABCVRRESA-N 2 2 362.478 0.183 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCOC4)[C@H]2C1 ZINC001223431176 1225705972 /nfs/dbraw/zinc/70/59/72/1225705972.db2.gz WJFRRFXEECQRPG-CABCVRRESA-N 2 2 362.478 0.183 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001041286739 1217267424 /nfs/dbraw/zinc/26/74/24/1217267424.db2.gz JEQUSLLYHLYGSF-HZPDHXFCSA-N 2 2 361.490 0.888 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@@H+]1C ZINC001041302825 1217274294 /nfs/dbraw/zinc/27/42/94/1217274294.db2.gz ZWDUBMREEYYGPV-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@H+]1C ZINC001041302825 1217274299 /nfs/dbraw/zinc/27/42/99/1217274299.db2.gz ZWDUBMREEYYGPV-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001041302825 1217274304 /nfs/dbraw/zinc/27/43/04/1217274304.db2.gz ZWDUBMREEYYGPV-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001041302825 1217274308 /nfs/dbraw/zinc/27/43/08/1217274308.db2.gz ZWDUBMREEYYGPV-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404308 1217314940 /nfs/dbraw/zinc/31/49/40/1217314940.db2.gz SCTBGVKYZDDCCV-QBIMZIAESA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404308 1217314949 /nfs/dbraw/zinc/31/49/49/1217314949.db2.gz SCTBGVKYZDDCCV-QBIMZIAESA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nonc1C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404308 1217314955 /nfs/dbraw/zinc/31/49/55/1217314955.db2.gz SCTBGVKYZDDCCV-QBIMZIAESA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nonc1C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404308 1217314962 /nfs/dbraw/zinc/31/49/62/1217314962.db2.gz SCTBGVKYZDDCCV-QBIMZIAESA-N 2 2 363.462 0.522 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041695934 1217355476 /nfs/dbraw/zinc/35/54/76/1217355476.db2.gz HPBHQIMGHLBXQQ-SPYBWZPUSA-N 2 2 359.474 0.536 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001041695934 1217355483 /nfs/dbraw/zinc/35/54/83/1217355483.db2.gz HPBHQIMGHLBXQQ-SPYBWZPUSA-N 2 2 359.474 0.536 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001041977718 1217374946 /nfs/dbraw/zinc/37/49/46/1217374946.db2.gz GRPBYSIYMJIGIS-JKIFEVAISA-N 2 2 358.490 0.357 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001041977718 1217374952 /nfs/dbraw/zinc/37/49/52/1217374952.db2.gz GRPBYSIYMJIGIS-JKIFEVAISA-N 2 2 358.490 0.357 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001041977718 1217374958 /nfs/dbraw/zinc/37/49/58/1217374958.db2.gz GRPBYSIYMJIGIS-JKIFEVAISA-N 2 2 358.490 0.357 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001041977718 1217374964 /nfs/dbraw/zinc/37/49/64/1217374964.db2.gz GRPBYSIYMJIGIS-JKIFEVAISA-N 2 2 358.490 0.357 20 0 FCADLP COC(=O)c1ccnc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001276923377 1225739128 /nfs/dbraw/zinc/73/91/28/1225739128.db2.gz XNVUFJGHRRYTRQ-IBGZPJMESA-N 2 2 360.458 0.997 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001042505647 1217425339 /nfs/dbraw/zinc/42/53/39/1217425339.db2.gz PLQLHYIMROIVGD-VNHYZAJKSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001042505647 1217425342 /nfs/dbraw/zinc/42/53/42/1217425342.db2.gz PLQLHYIMROIVGD-VNHYZAJKSA-N 2 2 357.462 0.789 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912765 1225744852 /nfs/dbraw/zinc/74/48/52/1225744852.db2.gz ZXFWQMCEZSKZAJ-INMHGKMJSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912765 1225744854 /nfs/dbraw/zinc/74/48/54/1225744854.db2.gz ZXFWQMCEZSKZAJ-INMHGKMJSA-N 2 2 361.490 0.800 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037518 1225753286 /nfs/dbraw/zinc/75/32/86/1225753286.db2.gz VBJJLQJAWPVNJB-WBVHZDCISA-N 2 2 361.490 0.754 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037518 1225753292 /nfs/dbraw/zinc/75/32/92/1225753292.db2.gz VBJJLQJAWPVNJB-WBVHZDCISA-N 2 2 361.490 0.754 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001043256240 1217614387 /nfs/dbraw/zinc/61/43/87/1217614387.db2.gz CWORVWBZWNJQDP-RHSMWYFYSA-N 2 2 370.501 0.819 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001043256240 1217614390 /nfs/dbraw/zinc/61/43/90/1217614390.db2.gz CWORVWBZWNJQDP-RHSMWYFYSA-N 2 2 370.501 0.819 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044129914 1217807320 /nfs/dbraw/zinc/80/73/20/1217807320.db2.gz PSLXNQNIWMIMDL-SJORKVTESA-N 2 2 361.490 0.745 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044129550 1217807359 /nfs/dbraw/zinc/80/73/59/1217807359.db2.gz DWGIEKJXAKKCQR-CVEARBPZSA-N 2 2 361.490 0.745 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044207876 1217818414 /nfs/dbraw/zinc/81/84/14/1217818414.db2.gz ZCBSDQVPGDJFGD-BBWFWOEESA-N 2 2 371.485 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044249286 1217825600 /nfs/dbraw/zinc/82/56/00/1217825600.db2.gz QNJYFIWTRSIWPO-KFWWJZLASA-N 2 2 356.430 0.533 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001044708524 1217872914 /nfs/dbraw/zinc/87/29/14/1217872914.db2.gz JAIRHVDHMSPLJN-IKGGRYGDSA-N 2 2 361.490 0.942 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001044708524 1217872917 /nfs/dbraw/zinc/87/29/17/1217872917.db2.gz JAIRHVDHMSPLJN-IKGGRYGDSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C3CC3)[nH]2)O1 ZINC001045091047 1217899256 /nfs/dbraw/zinc/89/92/56/1217899256.db2.gz OBVGXFXFCCTGML-VHDGCEQUSA-N 2 2 362.478 0.482 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C3CC3)[nH]2)O1 ZINC001045091047 1217899258 /nfs/dbraw/zinc/89/92/58/1217899258.db2.gz OBVGXFXFCCTGML-VHDGCEQUSA-N 2 2 362.478 0.482 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045969032 1217982464 /nfs/dbraw/zinc/98/24/64/1217982464.db2.gz XUQCMNCNFVAGIZ-SPYBWZPUSA-N 2 2 359.474 0.714 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001045969032 1217982468 /nfs/dbraw/zinc/98/24/68/1217982468.db2.gz XUQCMNCNFVAGIZ-SPYBWZPUSA-N 2 2 359.474 0.714 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000900600686 1218011672 /nfs/dbraw/zinc/01/16/72/1218011672.db2.gz KEJSJBSFZGVOFU-ZACQAIPSSA-N 2 2 367.490 0.319 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000900600686 1218011677 /nfs/dbraw/zinc/01/16/77/1218011677.db2.gz KEJSJBSFZGVOFU-ZACQAIPSSA-N 2 2 367.490 0.319 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276982175 1225784843 /nfs/dbraw/zinc/78/48/43/1225784843.db2.gz LCKFFAGKQQVROA-IBGZPJMESA-N 2 2 353.426 0.619 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276982175 1225784844 /nfs/dbraw/zinc/78/48/44/1225784844.db2.gz LCKFFAGKQQVROA-IBGZPJMESA-N 2 2 353.426 0.619 20 0 FCADLP CC1=C(C)C(=O)N(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000900693413 1218025373 /nfs/dbraw/zinc/02/53/73/1218025373.db2.gz RQQWJAWPUSXNIO-UHFFFAOYSA-N 2 2 364.490 0.566 20 0 FCADLP CC1=C(C)C(=O)N(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000900693413 1218025378 /nfs/dbraw/zinc/02/53/78/1218025378.db2.gz RQQWJAWPUSXNIO-UHFFFAOYSA-N 2 2 364.490 0.566 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276982551 1225785788 /nfs/dbraw/zinc/78/57/88/1225785788.db2.gz WCYYGYKERYENMC-IBGZPJMESA-N 2 2 353.426 0.656 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276982551 1225785792 /nfs/dbraw/zinc/78/57/92/1225785792.db2.gz WCYYGYKERYENMC-IBGZPJMESA-N 2 2 353.426 0.656 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000901084210 1218078037 /nfs/dbraw/zinc/07/80/37/1218078037.db2.gz FJHBEEPHCUQTSM-OAHLLOKOSA-N 2 2 363.462 0.344 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000901084210 1218078043 /nfs/dbraw/zinc/07/80/43/1218078043.db2.gz FJHBEEPHCUQTSM-OAHLLOKOSA-N 2 2 363.462 0.344 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001047386038 1218138725 /nfs/dbraw/zinc/13/87/25/1218138725.db2.gz KTVNDGZUJLCFAS-ZSGPHXLJSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001047386038 1218138730 /nfs/dbraw/zinc/13/87/30/1218138730.db2.gz KTVNDGZUJLCFAS-ZSGPHXLJSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ccnc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001047386038 1218138733 /nfs/dbraw/zinc/13/87/33/1218138733.db2.gz KTVNDGZUJLCFAS-ZSGPHXLJSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ccnc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001047386038 1218138737 /nfs/dbraw/zinc/13/87/37/1218138737.db2.gz KTVNDGZUJLCFAS-ZSGPHXLJSA-N 2 2 362.474 0.434 20 0 FCADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OC[C@H]1CNC(=O)C1 ZINC000902249938 1218233780 /nfs/dbraw/zinc/23/37/80/1218233780.db2.gz QINJZFXYQXMQAG-QGZVFWFLSA-N 2 2 359.474 0.829 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001096349840 1218259382 /nfs/dbraw/zinc/25/93/82/1218259382.db2.gz JNTMESRYLMDAGJ-JHNDHUHGSA-N 2 2 359.474 0.600 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001096349840 1218259384 /nfs/dbraw/zinc/25/93/84/1218259384.db2.gz JNTMESRYLMDAGJ-JHNDHUHGSA-N 2 2 359.474 0.600 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829306 1218323960 /nfs/dbraw/zinc/32/39/60/1218323960.db2.gz LVJJILQSXQGJCS-DMRZNYOFSA-N 2 2 358.490 0.913 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829306 1218323967 /nfs/dbraw/zinc/32/39/67/1218323967.db2.gz LVJJILQSXQGJCS-DMRZNYOFSA-N 2 2 358.490 0.913 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)C[C@@H]3C2)CC[NH+]1C ZINC001048829306 1218323971 /nfs/dbraw/zinc/32/39/71/1218323971.db2.gz LVJJILQSXQGJCS-DMRZNYOFSA-N 2 2 358.490 0.913 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)C[C@@H]3C2)CC[NH+]1C ZINC001048829306 1218323977 /nfs/dbraw/zinc/32/39/77/1218323977.db2.gz LVJJILQSXQGJCS-DMRZNYOFSA-N 2 2 358.490 0.913 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829545 1218323998 /nfs/dbraw/zinc/32/39/98/1218323998.db2.gz SOCXLJGUKAKTSY-LVQVYYBASA-N 2 2 361.494 0.314 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829545 1218324004 /nfs/dbraw/zinc/32/40/04/1218324004.db2.gz SOCXLJGUKAKTSY-LVQVYYBASA-N 2 2 361.494 0.314 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829545 1218324011 /nfs/dbraw/zinc/32/40/11/1218324011.db2.gz SOCXLJGUKAKTSY-LVQVYYBASA-N 2 2 361.494 0.314 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829545 1218324017 /nfs/dbraw/zinc/32/40/17/1218324017.db2.gz SOCXLJGUKAKTSY-LVQVYYBASA-N 2 2 361.494 0.314 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001048873775 1218332088 /nfs/dbraw/zinc/33/20/88/1218332088.db2.gz WVSLRDGPUOAUJJ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001048873775 1218332094 /nfs/dbraw/zinc/33/20/94/1218332094.db2.gz WVSLRDGPUOAUJJ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001048873775 1218332100 /nfs/dbraw/zinc/33/21/00/1218332100.db2.gz WVSLRDGPUOAUJJ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@@H]2C1 ZINC001048873775 1218332106 /nfs/dbraw/zinc/33/21/06/1218332106.db2.gz WVSLRDGPUOAUJJ-YYIAUSFCSA-N 2 2 371.485 0.916 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049066571 1218374004 /nfs/dbraw/zinc/37/40/04/1218374004.db2.gz JUZRAABFNVVNHU-QKPAOTATSA-N 2 2 357.458 0.146 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049066571 1218374011 /nfs/dbraw/zinc/37/40/11/1218374011.db2.gz JUZRAABFNVVNHU-QKPAOTATSA-N 2 2 357.458 0.146 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049068436 1218374409 /nfs/dbraw/zinc/37/44/09/1218374409.db2.gz SKSHSRVAIQKMQR-JKJDWNRSSA-N 2 2 357.458 0.192 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049068436 1218374417 /nfs/dbraw/zinc/37/44/17/1218374417.db2.gz SKSHSRVAIQKMQR-JKJDWNRSSA-N 2 2 357.458 0.192 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001049481392 1218461168 /nfs/dbraw/zinc/46/11/68/1218461168.db2.gz INRXHKXAFVZZHT-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001049481392 1218461177 /nfs/dbraw/zinc/46/11/77/1218461177.db2.gz INRXHKXAFVZZHT-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481392 1218461180 /nfs/dbraw/zinc/46/11/80/1218461180.db2.gz INRXHKXAFVZZHT-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481392 1218461187 /nfs/dbraw/zinc/46/11/87/1218461187.db2.gz INRXHKXAFVZZHT-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000803672488 1218471920 /nfs/dbraw/zinc/47/19/20/1218471920.db2.gz XVNNHFQOIZLYCE-MLGOLLRUSA-N 2 2 360.458 0.922 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000803672488 1218471932 /nfs/dbraw/zinc/47/19/32/1218471932.db2.gz XVNNHFQOIZLYCE-MLGOLLRUSA-N 2 2 360.458 0.922 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548592 1218484648 /nfs/dbraw/zinc/48/46/48/1218484648.db2.gz KDBBTAQYEWTMCU-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548592 1218484651 /nfs/dbraw/zinc/48/46/51/1218484651.db2.gz KDBBTAQYEWTMCU-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccnn2C)O1 ZINC001049548592 1218484656 /nfs/dbraw/zinc/48/46/56/1218484656.db2.gz KDBBTAQYEWTMCU-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccnn2C)O1 ZINC001049548592 1218484661 /nfs/dbraw/zinc/48/46/61/1218484661.db2.gz KDBBTAQYEWTMCU-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001096546821 1218486884 /nfs/dbraw/zinc/48/68/84/1218486884.db2.gz ACAQLJWGNPCUJZ-IKGGRYGDSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001096546821 1218486889 /nfs/dbraw/zinc/48/68/89/1218486889.db2.gz ACAQLJWGNPCUJZ-IKGGRYGDSA-N 2 2 364.490 0.099 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739427 1218542142 /nfs/dbraw/zinc/54/21/42/1218542142.db2.gz YXJJZBFOJHINPM-FPCVCCKLSA-N 2 2 359.474 0.677 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739427 1218542149 /nfs/dbraw/zinc/54/21/49/1218542149.db2.gz YXJJZBFOJHINPM-FPCVCCKLSA-N 2 2 359.474 0.677 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001096841364 1218625333 /nfs/dbraw/zinc/62/53/33/1218625333.db2.gz FXNPSPCOVZDVRW-KCPJHIHWSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001096841364 1218625337 /nfs/dbraw/zinc/62/53/37/1218625337.db2.gz FXNPSPCOVZDVRW-KCPJHIHWSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)n1 ZINC001096912596 1218638405 /nfs/dbraw/zinc/63/84/05/1218638405.db2.gz MOYZZMIRMZTLAI-LVQVYYBASA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001096912596 1218638410 /nfs/dbraw/zinc/63/84/10/1218638410.db2.gz MOYZZMIRMZTLAI-LVQVYYBASA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001096912596 1218638414 /nfs/dbraw/zinc/63/84/14/1218638414.db2.gz MOYZZMIRMZTLAI-LVQVYYBASA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001096912596 1218638417 /nfs/dbraw/zinc/63/84/17/1218638417.db2.gz MOYZZMIRMZTLAI-LVQVYYBASA-N 2 2 363.462 0.363 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001097373669 1218795395 /nfs/dbraw/zinc/79/53/95/1218795395.db2.gz SPUWHMNLCDEEDK-ABFRBSLYSA-N 2 2 372.473 0.192 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001097373669 1218795399 /nfs/dbraw/zinc/79/53/99/1218795399.db2.gz SPUWHMNLCDEEDK-ABFRBSLYSA-N 2 2 372.473 0.192 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555348 1218818558 /nfs/dbraw/zinc/81/85/58/1218818558.db2.gz FRNFTSLWEJDMIV-SZXPJGKVSA-N 2 2 373.501 0.960 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555348 1218818560 /nfs/dbraw/zinc/81/85/60/1218818560.db2.gz FRNFTSLWEJDMIV-SZXPJGKVSA-N 2 2 373.501 0.960 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555808 1218818691 /nfs/dbraw/zinc/81/86/91/1218818691.db2.gz XEHNTUVFBUVIRT-UTXMOHQDSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555808 1218818692 /nfs/dbraw/zinc/81/86/92/1218818692.db2.gz XEHNTUVFBUVIRT-UTXMOHQDSA-N 2 2 359.474 0.747 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001097573900 1218822458 /nfs/dbraw/zinc/82/24/58/1218822458.db2.gz RENMFRDYYAGEQK-DZVNLGKHSA-N 2 2 369.481 0.947 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001097573900 1218822459 /nfs/dbraw/zinc/82/24/59/1218822459.db2.gz RENMFRDYYAGEQK-DZVNLGKHSA-N 2 2 369.481 0.947 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097712725 1218839818 /nfs/dbraw/zinc/83/98/18/1218839818.db2.gz MLWYFYLVKCWCPK-NCOADZHNSA-N 2 2 364.490 0.096 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097712725 1218839819 /nfs/dbraw/zinc/83/98/19/1218839819.db2.gz MLWYFYLVKCWCPK-NCOADZHNSA-N 2 2 364.490 0.096 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)C1 ZINC001097712725 1218839821 /nfs/dbraw/zinc/83/98/21/1218839821.db2.gz MLWYFYLVKCWCPK-NCOADZHNSA-N 2 2 364.490 0.096 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)C1 ZINC001097712725 1218839824 /nfs/dbraw/zinc/83/98/24/1218839824.db2.gz MLWYFYLVKCWCPK-NCOADZHNSA-N 2 2 364.490 0.096 20 0 FCADLP CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052989503 1218870346 /nfs/dbraw/zinc/87/03/46/1218870346.db2.gz IMOPUYYIAXURNY-YSHGAJCASA-N 2 2 365.518 0.933 20 0 FCADLP CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052989503 1218870347 /nfs/dbraw/zinc/87/03/47/1218870347.db2.gz IMOPUYYIAXURNY-YSHGAJCASA-N 2 2 365.518 0.933 20 0 FCADLP O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052992762 1218870587 /nfs/dbraw/zinc/87/05/87/1218870587.db2.gz ORAORWDXPFHYGU-ZRSRNVLSSA-N 2 2 363.502 0.686 20 0 FCADLP O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052992762 1218870590 /nfs/dbraw/zinc/87/05/90/1218870590.db2.gz ORAORWDXPFHYGU-ZRSRNVLSSA-N 2 2 363.502 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(CN(Cc4c[nH+]cn4C)C3)C2)CC[N@@H+]1C ZINC001053808023 1218892518 /nfs/dbraw/zinc/89/25/18/1218892518.db2.gz VNSRKEALXLOQLI-BHYGNILZSA-N 2 2 361.490 0.610 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(CN(Cc4c[nH+]cn4C)C3)C2)CC[N@H+]1C ZINC001053808023 1218892520 /nfs/dbraw/zinc/89/25/20/1218892520.db2.gz VNSRKEALXLOQLI-BHYGNILZSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055195277 1219012472 /nfs/dbraw/zinc/01/24/72/1219012472.db2.gz VVBMUNWOGMVWJH-VDERGJSUSA-N 2 2 369.473 0.931 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055195277 1219012475 /nfs/dbraw/zinc/01/24/75/1219012475.db2.gz VVBMUNWOGMVWJH-VDERGJSUSA-N 2 2 369.473 0.931 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128657 1225864237 /nfs/dbraw/zinc/86/42/37/1225864237.db2.gz VVMLKRXCSDQTFG-DJIMGWMZSA-N 2 2 361.490 0.987 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055595671 1219094808 /nfs/dbraw/zinc/09/48/08/1219094808.db2.gz APBGIXMGDPDAMD-PBHICJAKSA-N 2 2 363.462 0.005 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055738 1219109236 /nfs/dbraw/zinc/10/92/36/1219109236.db2.gz HOXQOZHTMGFSNJ-UAGQMJEPSA-N 2 2 374.441 0.041 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055738 1219109241 /nfs/dbraw/zinc/10/92/41/1219109241.db2.gz HOXQOZHTMGFSNJ-UAGQMJEPSA-N 2 2 374.441 0.041 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000804058612 1219112581 /nfs/dbraw/zinc/11/25/81/1219112581.db2.gz HXSGTNHDPKGTIH-RBSFLKMASA-N 2 2 361.446 0.095 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000804058612 1219112584 /nfs/dbraw/zinc/11/25/84/1219112584.db2.gz HXSGTNHDPKGTIH-RBSFLKMASA-N 2 2 361.446 0.095 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075702 1219142450 /nfs/dbraw/zinc/14/24/50/1219142450.db2.gz ALXRLEALENSXMH-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075702 1219142453 /nfs/dbraw/zinc/14/24/53/1219142453.db2.gz ALXRLEALENSXMH-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075702 1219142454 /nfs/dbraw/zinc/14/24/54/1219142454.db2.gz ALXRLEALENSXMH-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070075702 1219142455 /nfs/dbraw/zinc/14/24/55/1219142455.db2.gz ALXRLEALENSXMH-JQHSSLGASA-N 2 2 369.473 0.557 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220058 1219301697 /nfs/dbraw/zinc/30/16/97/1219301697.db2.gz ZRMFQQWRNQGEMP-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)C2 ZINC001070222536 1219304152 /nfs/dbraw/zinc/30/41/52/1219304152.db2.gz PHTJRHIWGXBVOT-XYPHTWIQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)CC2 ZINC001070222536 1219304159 /nfs/dbraw/zinc/30/41/59/1219304159.db2.gz PHTJRHIWGXBVOT-XYPHTWIQSA-N 2 2 357.462 0.865 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1n1ccnn1 ZINC001070306795 1219364692 /nfs/dbraw/zinc/36/46/92/1219364692.db2.gz XJSRQCBJAZEYIM-SJORKVTESA-N 2 2 366.429 0.924 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070317573 1219372008 /nfs/dbraw/zinc/37/20/08/1219372008.db2.gz SWNGGRIXORYVPB-SJORKVTESA-N 2 2 366.429 0.489 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227848646 1225888002 /nfs/dbraw/zinc/88/80/02/1225888002.db2.gz RMDCMRMBQNTBID-MGPQQGTHSA-N 2 2 364.450 0.134 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001070333530 1219383169 /nfs/dbraw/zinc/38/31/69/1219383169.db2.gz DASABUGVJXTEAA-IKGGRYGDSA-N 2 2 360.437 0.892 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)O1 ZINC001227954245 1225891828 /nfs/dbraw/zinc/89/18/28/1225891828.db2.gz QOULAVLRRCGCPK-RHSMWYFYSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)O1 ZINC001227954245 1225891832 /nfs/dbraw/zinc/89/18/32/1225891832.db2.gz QOULAVLRRCGCPK-RHSMWYFYSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001070516271 1219449020 /nfs/dbraw/zinc/44/90/20/1219449020.db2.gz CHWROKSINVKJQK-OFQRWUPVSA-N 2 2 360.462 0.051 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1)[NH+](C)C ZINC001070534633 1219457344 /nfs/dbraw/zinc/45/73/44/1219457344.db2.gz FHNXYZBHOUQKGL-UAGQMJEPSA-N 2 2 360.462 0.833 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001070925466 1219583296 /nfs/dbraw/zinc/58/32/96/1219583296.db2.gz HIPYLXDMJVNTDX-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001070925466 1219583300 /nfs/dbraw/zinc/58/33/00/1219583300.db2.gz HIPYLXDMJVNTDX-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001071001369 1219588460 /nfs/dbraw/zinc/58/84/60/1219588460.db2.gz VDRHAFZDCPTQHF-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP CCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001071001369 1219588464 /nfs/dbraw/zinc/58/84/64/1219588464.db2.gz VDRHAFZDCPTQHF-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001071061212 1219597490 /nfs/dbraw/zinc/59/74/90/1219597490.db2.gz SDCVATBJMIXPNG-VMGRFDJRSA-N 2 2 363.462 0.202 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C(N)=O ZINC001071061212 1219597492 /nfs/dbraw/zinc/59/74/92/1219597492.db2.gz SDCVATBJMIXPNG-VMGRFDJRSA-N 2 2 363.462 0.202 20 0 FCADLP COc1cc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001073611144 1219672637 /nfs/dbraw/zinc/67/26/37/1219672637.db2.gz OHOGEAHLVVBGLK-FVQBIDKESA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[N@H+]2CCCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001073611144 1219672641 /nfs/dbraw/zinc/67/26/41/1219672641.db2.gz OHOGEAHLVVBGLK-FVQBIDKESA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001073611144 1219672644 /nfs/dbraw/zinc/67/26/44/1219672644.db2.gz OHOGEAHLVVBGLK-FVQBIDKESA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001073611144 1219672646 /nfs/dbraw/zinc/67/26/46/1219672646.db2.gz OHOGEAHLVVBGLK-FVQBIDKESA-N 2 2 366.462 0.731 20 0 FCADLP CCn1nncc1C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611336 1219673484 /nfs/dbraw/zinc/67/34/84/1219673484.db2.gz UPKXLRZXAVIDRR-DJIMGWMZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611336 1219673487 /nfs/dbraw/zinc/67/34/87/1219673487.db2.gz UPKXLRZXAVIDRR-DJIMGWMZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611336 1219673495 /nfs/dbraw/zinc/67/34/95/1219673495.db2.gz UPKXLRZXAVIDRR-DJIMGWMZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611336 1219673497 /nfs/dbraw/zinc/67/34/97/1219673497.db2.gz UPKXLRZXAVIDRR-DJIMGWMZSA-N 2 2 364.494 0.345 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)[C@@H]2C)CC[N@@H+]1C ZINC001074661636 1219711793 /nfs/dbraw/zinc/71/17/93/1219711793.db2.gz CTXSKCFDGNVSEU-BARDWOONSA-N 2 2 363.510 0.847 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)[C@@H]2C)CC[N@H+]1C ZINC001074661636 1219711800 /nfs/dbraw/zinc/71/18/00/1219711800.db2.gz CTXSKCFDGNVSEU-BARDWOONSA-N 2 2 363.510 0.847 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001098230257 1219744950 /nfs/dbraw/zinc/74/49/50/1219744950.db2.gz CFBHLCAETLIABF-IRWJRLHMSA-N 2 2 357.458 0.761 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001098230257 1219744954 /nfs/dbraw/zinc/74/49/54/1219744954.db2.gz CFBHLCAETLIABF-IRWJRLHMSA-N 2 2 357.458 0.761 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001098841288 1219837818 /nfs/dbraw/zinc/83/78/18/1219837818.db2.gz GPTVAAQTUUCCOG-FCEWJHQRSA-N 2 2 358.490 0.926 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001098841288 1219837821 /nfs/dbraw/zinc/83/78/21/1219837821.db2.gz GPTVAAQTUUCCOG-FCEWJHQRSA-N 2 2 358.490 0.926 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848929 1219840286 /nfs/dbraw/zinc/84/02/86/1219840286.db2.gz OPKIGMJCQQHBLY-TYILLQQXSA-N 2 2 359.474 0.606 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848929 1219840289 /nfs/dbraw/zinc/84/02/89/1219840289.db2.gz OPKIGMJCQQHBLY-TYILLQQXSA-N 2 2 359.474 0.606 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098875521 1219847718 /nfs/dbraw/zinc/84/77/18/1219847718.db2.gz RGGKUYNQMGAFAA-KHYOSLBOSA-N 2 2 359.474 0.819 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098875521 1219847720 /nfs/dbraw/zinc/84/77/20/1219847720.db2.gz RGGKUYNQMGAFAA-KHYOSLBOSA-N 2 2 359.474 0.819 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099011215 1219888412 /nfs/dbraw/zinc/88/84/12/1219888412.db2.gz WOOLAYMJUIOLAY-XUWXXGDYSA-N 2 2 361.494 0.584 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099011215 1219888413 /nfs/dbraw/zinc/88/84/13/1219888413.db2.gz WOOLAYMJUIOLAY-XUWXXGDYSA-N 2 2 361.494 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001099036651 1219894727 /nfs/dbraw/zinc/89/47/27/1219894727.db2.gz YXEDMERFELLYFJ-ROYATCLZSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001099036651 1219894729 /nfs/dbraw/zinc/89/47/29/1219894729.db2.gz YXEDMERFELLYFJ-ROYATCLZSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccn(C)c(=O)c1)C2 ZINC001099122425 1219922097 /nfs/dbraw/zinc/92/20/97/1219922097.db2.gz SKTJTNDJXOXUQV-JXFKEZNVSA-N 2 2 369.469 0.832 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccn(C)c(=O)c1)C2 ZINC001099122425 1219922102 /nfs/dbraw/zinc/92/21/02/1219922102.db2.gz SKTJTNDJXOXUQV-JXFKEZNVSA-N 2 2 369.469 0.832 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001099137978 1219925927 /nfs/dbraw/zinc/92/59/27/1219925927.db2.gz LWZOVTPHBBEELE-LIRRHRJNSA-N 2 2 359.474 0.852 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001099137978 1219925929 /nfs/dbraw/zinc/92/59/29/1219925929.db2.gz LWZOVTPHBBEELE-LIRRHRJNSA-N 2 2 359.474 0.852 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2 ZINC001099183663 1219943410 /nfs/dbraw/zinc/94/34/10/1219943410.db2.gz NOJVEFSXGRESEO-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCCC1)C2 ZINC001099183663 1219943412 /nfs/dbraw/zinc/94/34/12/1219943412.db2.gz NOJVEFSXGRESEO-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C(F)(F)F)cn1 ZINC001099332685 1219969609 /nfs/dbraw/zinc/96/96/09/1219969609.db2.gz IIWZRHDEJAERNQ-ZIAGYGMSSA-N 2 2 370.379 0.875 20 0 FCADLP Cc1nonc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001099402411 1219982602 /nfs/dbraw/zinc/98/26/02/1219982602.db2.gz BKHMDXDMZMSHFC-ZVZYQTTQSA-N 2 2 363.462 0.427 20 0 FCADLP Cc1nonc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001099402411 1219982607 /nfs/dbraw/zinc/98/26/07/1219982607.db2.gz BKHMDXDMZMSHFC-ZVZYQTTQSA-N 2 2 363.462 0.427 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncccn3)C2)C1 ZINC001099403843 1219983966 /nfs/dbraw/zinc/98/39/66/1219983966.db2.gz QWQJLQUFEOHBFR-BXWFABGCSA-N 2 2 359.474 0.526 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncccn3)C2)C1 ZINC001099403843 1219983967 /nfs/dbraw/zinc/98/39/67/1219983967.db2.gz QWQJLQUFEOHBFR-BXWFABGCSA-N 2 2 359.474 0.526 20 0 FCADLP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001099426380 1219990762 /nfs/dbraw/zinc/99/07/62/1219990762.db2.gz UWEMBKMIBVJHAT-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)c1nncn1C ZINC001099540825 1220028195 /nfs/dbraw/zinc/02/81/95/1220028195.db2.gz DRUDDQLGHULTAH-VKJFTORMSA-N 2 2 357.462 0.991 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490969475 1220065112 /nfs/dbraw/zinc/06/51/12/1220065112.db2.gz ALJLKYAOLPSGNU-KHYOSLBOSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490969475 1220065117 /nfs/dbraw/zinc/06/51/17/1220065117.db2.gz ALJLKYAOLPSGNU-KHYOSLBOSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)NC1CCOCC1 ZINC001228800028 1225951723 /nfs/dbraw/zinc/95/17/23/1225951723.db2.gz FEEYRPPTGYZCSN-HZPDHXFCSA-N 2 2 363.462 0.264 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187775 1220217081 /nfs/dbraw/zinc/21/70/81/1220217081.db2.gz WROSQJGKBXNKMJ-VCBZYWHSSA-N 2 2 366.506 0.012 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187775 1220217084 /nfs/dbraw/zinc/21/70/84/1220217084.db2.gz WROSQJGKBXNKMJ-VCBZYWHSSA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187775 1220217087 /nfs/dbraw/zinc/21/70/87/1220217087.db2.gz WROSQJGKBXNKMJ-VCBZYWHSSA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001101187775 1220217093 /nfs/dbraw/zinc/21/70/93/1220217093.db2.gz WROSQJGKBXNKMJ-VCBZYWHSSA-N 2 2 366.506 0.012 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187527 1220217157 /nfs/dbraw/zinc/21/71/57/1220217157.db2.gz RQCSSTUNCUAQGA-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187527 1220217158 /nfs/dbraw/zinc/21/71/58/1220217158.db2.gz RQCSSTUNCUAQGA-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187527 1220217162 /nfs/dbraw/zinc/21/71/62/1220217162.db2.gz RQCSSTUNCUAQGA-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187527 1220217166 /nfs/dbraw/zinc/21/71/66/1220217166.db2.gz RQCSSTUNCUAQGA-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284942 1220266970 /nfs/dbraw/zinc/26/69/70/1220266970.db2.gz HJRCUYXROAYDSY-LBTNJELSSA-N 2 2 363.510 0.782 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2C[NH+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284942 1220266972 /nfs/dbraw/zinc/26/69/72/1220266972.db2.gz HJRCUYXROAYDSY-LBTNJELSSA-N 2 2 363.510 0.782 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284942 1220266973 /nfs/dbraw/zinc/26/69/73/1220266973.db2.gz HJRCUYXROAYDSY-LBTNJELSSA-N 2 2 363.510 0.782 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101284942 1220266975 /nfs/dbraw/zinc/26/69/75/1220266975.db2.gz HJRCUYXROAYDSY-LBTNJELSSA-N 2 2 363.510 0.782 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101300248 1220276760 /nfs/dbraw/zinc/27/67/60/1220276760.db2.gz PEQMOUBVKJGUHC-APWZRJJASA-N 2 2 359.474 0.498 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101300248 1220276764 /nfs/dbraw/zinc/27/67/64/1220276764.db2.gz PEQMOUBVKJGUHC-APWZRJJASA-N 2 2 359.474 0.498 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317045 1220284134 /nfs/dbraw/zinc/28/41/34/1220284134.db2.gz DZTLAAMXSLXJFD-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317045 1220284140 /nfs/dbraw/zinc/28/41/40/1220284140.db2.gz DZTLAAMXSLXJFD-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375157 1220308696 /nfs/dbraw/zinc/30/86/96/1220308696.db2.gz FCQFHGDJIWXIMF-BEFAXECRSA-N 2 2 359.474 0.601 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375157 1220308697 /nfs/dbraw/zinc/30/86/97/1220308697.db2.gz FCQFHGDJIWXIMF-BEFAXECRSA-N 2 2 359.474 0.601 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375531 1220308762 /nfs/dbraw/zinc/30/87/62/1220308762.db2.gz XSLDSJDNSMMRTN-AYBZRNKSSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375531 1220308763 /nfs/dbraw/zinc/30/87/63/1220308763.db2.gz XSLDSJDNSMMRTN-AYBZRNKSSA-N 2 2 364.490 0.766 20 0 FCADLP CCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432368 1220340792 /nfs/dbraw/zinc/34/07/92/1220340792.db2.gz ORFKPAJCCGMWKX-KDOFPFPSSA-N 2 2 365.478 0.491 20 0 FCADLP CCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101432368 1220340797 /nfs/dbraw/zinc/34/07/97/1220340797.db2.gz ORFKPAJCCGMWKX-KDOFPFPSSA-N 2 2 365.478 0.491 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101438529 1220345565 /nfs/dbraw/zinc/34/55/65/1220345565.db2.gz DJBVHCOQYOVHGE-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101438529 1220345567 /nfs/dbraw/zinc/34/55/67/1220345567.db2.gz DJBVHCOQYOVHGE-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101438529 1220345570 /nfs/dbraw/zinc/34/55/70/1220345570.db2.gz DJBVHCOQYOVHGE-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101438529 1220345573 /nfs/dbraw/zinc/34/55/73/1220345573.db2.gz DJBVHCOQYOVHGE-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487986 1220371381 /nfs/dbraw/zinc/37/13/81/1220371381.db2.gz FOPBAIGYPXJEQY-MDZRGWNJSA-N 2 2 361.490 0.824 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487986 1220371386 /nfs/dbraw/zinc/37/13/86/1220371386.db2.gz FOPBAIGYPXJEQY-MDZRGWNJSA-N 2 2 361.490 0.824 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001101487946 1220371654 /nfs/dbraw/zinc/37/16/54/1220371654.db2.gz CAAMIHGEBRPGKL-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001101487946 1220371658 /nfs/dbraw/zinc/37/16/58/1220371658.db2.gz CAAMIHGEBRPGKL-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986763 1220453631 /nfs/dbraw/zinc/45/36/31/1220453631.db2.gz KIDAGEUXDBLCGA-QLFBSQMISA-N 2 2 361.490 0.581 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986763 1220453633 /nfs/dbraw/zinc/45/36/33/1220453633.db2.gz KIDAGEUXDBLCGA-QLFBSQMISA-N 2 2 361.490 0.581 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986608 1220453667 /nfs/dbraw/zinc/45/36/67/1220453667.db2.gz CKEKUBWVTBBRGI-INMHGKMJSA-N 2 2 364.490 0.453 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986608 1220453670 /nfs/dbraw/zinc/45/36/70/1220453670.db2.gz CKEKUBWVTBBRGI-INMHGKMJSA-N 2 2 364.490 0.453 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030741 1220470059 /nfs/dbraw/zinc/47/00/59/1220470059.db2.gz AMJHXASFUGJODM-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030741 1220470060 /nfs/dbraw/zinc/47/00/60/1220470060.db2.gz AMJHXASFUGJODM-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031042 1220470956 /nfs/dbraw/zinc/47/09/56/1220470956.db2.gz PBKOOAKIBLQHSS-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031042 1220470962 /nfs/dbraw/zinc/47/09/62/1220470962.db2.gz PBKOOAKIBLQHSS-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031042 1220470968 /nfs/dbraw/zinc/47/09/68/1220470968.db2.gz PBKOOAKIBLQHSS-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031042 1220470973 /nfs/dbraw/zinc/47/09/73/1220470973.db2.gz PBKOOAKIBLQHSS-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102045230 1220476102 /nfs/dbraw/zinc/47/61/02/1220476102.db2.gz XZZIURJPWLELNO-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102045230 1220476103 /nfs/dbraw/zinc/47/61/03/1220476103.db2.gz XZZIURJPWLELNO-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102045230 1220476105 /nfs/dbraw/zinc/47/61/05/1220476105.db2.gz XZZIURJPWLELNO-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102045230 1220476106 /nfs/dbraw/zinc/47/61/06/1220476106.db2.gz XZZIURJPWLELNO-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098033 1220494258 /nfs/dbraw/zinc/49/42/58/1220494258.db2.gz RABFDPSNEICLLM-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098033 1220494262 /nfs/dbraw/zinc/49/42/62/1220494262.db2.gz RABFDPSNEICLLM-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098034 1220494498 /nfs/dbraw/zinc/49/44/98/1220494498.db2.gz RABFDPSNEICLLM-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098034 1220494500 /nfs/dbraw/zinc/49/45/00/1220494500.db2.gz RABFDPSNEICLLM-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098067 1220494713 /nfs/dbraw/zinc/49/47/13/1220494713.db2.gz RWQAWPNLXDQVJC-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098067 1220494719 /nfs/dbraw/zinc/49/47/19/1220494719.db2.gz RWQAWPNLXDQVJC-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104012 1220495640 /nfs/dbraw/zinc/49/56/40/1220495640.db2.gz AZKCPIMXJVEXLP-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104012 1220495643 /nfs/dbraw/zinc/49/56/43/1220495643.db2.gz AZKCPIMXJVEXLP-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104336 1220498586 /nfs/dbraw/zinc/49/85/86/1220498586.db2.gz PQTZQXQRHJQNSO-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104336 1220498590 /nfs/dbraw/zinc/49/85/90/1220498590.db2.gz PQTZQXQRHJQNSO-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229037192 1225974242 /nfs/dbraw/zinc/97/42/42/1225974242.db2.gz HTZWNIYBOAMSHZ-IACUBPJLSA-N 2 2 364.450 0.061 20 0 FCADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229037192 1225974255 /nfs/dbraw/zinc/97/42/55/1225974255.db2.gz HTZWNIYBOAMSHZ-IACUBPJLSA-N 2 2 364.450 0.061 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102204141 1220548793 /nfs/dbraw/zinc/54/87/93/1220548793.db2.gz YLRSKDWFUIHJST-KZNAEPCWSA-N 2 2 366.506 0.991 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102204141 1220548800 /nfs/dbraw/zinc/54/88/00/1220548800.db2.gz YLRSKDWFUIHJST-KZNAEPCWSA-N 2 2 366.506 0.991 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)nn1 ZINC001102469210 1220640184 /nfs/dbraw/zinc/64/01/84/1220640184.db2.gz VWGLXGDARHPJFT-HZPDHXFCSA-N 2 2 364.494 0.204 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)nn1 ZINC001102469210 1220640187 /nfs/dbraw/zinc/64/01/87/1220640187.db2.gz VWGLXGDARHPJFT-HZPDHXFCSA-N 2 2 364.494 0.204 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479738 1220646446 /nfs/dbraw/zinc/64/64/46/1220646446.db2.gz FCKKYDUXMDNLGG-OWCLPIDISA-N 2 2 363.510 0.687 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479738 1220646449 /nfs/dbraw/zinc/64/64/49/1220646449.db2.gz FCKKYDUXMDNLGG-OWCLPIDISA-N 2 2 363.510 0.687 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511321 1220670420 /nfs/dbraw/zinc/67/04/20/1220670420.db2.gz RPSLZYKLNWDIOI-HUUCEWRRSA-N 2 2 367.498 0.016 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511321 1220670422 /nfs/dbraw/zinc/67/04/22/1220670422.db2.gz RPSLZYKLNWDIOI-HUUCEWRRSA-N 2 2 367.498 0.016 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513209 1220672051 /nfs/dbraw/zinc/67/20/51/1220672051.db2.gz ACKFXOOAUOMGIU-HUUCEWRRSA-N 2 2 356.474 0.990 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513209 1220672055 /nfs/dbraw/zinc/67/20/55/1220672055.db2.gz ACKFXOOAUOMGIU-HUUCEWRRSA-N 2 2 356.474 0.990 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102514718 1220673610 /nfs/dbraw/zinc/67/36/10/1220673610.db2.gz KEJIRORHKNBQRM-RHSMWYFYSA-N 2 2 369.469 0.946 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102514718 1220673611 /nfs/dbraw/zinc/67/36/11/1220673611.db2.gz KEJIRORHKNBQRM-RHSMWYFYSA-N 2 2 369.469 0.946 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102525182 1220681150 /nfs/dbraw/zinc/68/11/50/1220681150.db2.gz PADQKDXCNGVMME-HUUCEWRRSA-N 2 2 365.526 0.954 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102525182 1220681154 /nfs/dbraw/zinc/68/11/54/1220681154.db2.gz PADQKDXCNGVMME-HUUCEWRRSA-N 2 2 365.526 0.954 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102525182 1220681156 /nfs/dbraw/zinc/68/11/56/1220681156.db2.gz PADQKDXCNGVMME-HUUCEWRRSA-N 2 2 365.526 0.954 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102525182 1220681160 /nfs/dbraw/zinc/68/11/60/1220681160.db2.gz PADQKDXCNGVMME-HUUCEWRRSA-N 2 2 365.526 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102531916 1220684361 /nfs/dbraw/zinc/68/43/61/1220684361.db2.gz LQMYJTHSDORSCF-FVQBIDKESA-N 2 2 361.490 0.861 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1C ZINC001102531916 1220684364 /nfs/dbraw/zinc/68/43/64/1220684364.db2.gz LQMYJTHSDORSCF-FVQBIDKESA-N 2 2 361.490 0.861 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1)C1CC1 ZINC001102532599 1220684766 /nfs/dbraw/zinc/68/47/66/1220684766.db2.gz VNLDPSYGXREMNY-UKRRQHHQSA-N 2 2 361.490 0.956 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1)C1CC1 ZINC001102532599 1220684768 /nfs/dbraw/zinc/68/47/68/1220684768.db2.gz VNLDPSYGXREMNY-UKRRQHHQSA-N 2 2 361.490 0.956 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001102580729 1220703627 /nfs/dbraw/zinc/70/36/27/1220703627.db2.gz JPAUNIMAHWGVBU-BRWVUGGUSA-N 2 2 363.506 0.573 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001102580729 1220703634 /nfs/dbraw/zinc/70/36/34/1220703634.db2.gz JPAUNIMAHWGVBU-BRWVUGGUSA-N 2 2 363.506 0.573 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001102602711 1220725384 /nfs/dbraw/zinc/72/53/84/1220725384.db2.gz AWTGJEUORLDBOU-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001102602711 1220725390 /nfs/dbraw/zinc/72/53/90/1220725390.db2.gz AWTGJEUORLDBOU-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818863 1220791997 /nfs/dbraw/zinc/79/19/97/1220791997.db2.gz KLNGQWKYAIDZTI-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102818863 1220792003 /nfs/dbraw/zinc/79/20/03/1220792003.db2.gz KLNGQWKYAIDZTI-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102818863 1220792005 /nfs/dbraw/zinc/79/20/05/1220792005.db2.gz KLNGQWKYAIDZTI-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102818863 1220792010 /nfs/dbraw/zinc/79/20/10/1220792010.db2.gz KLNGQWKYAIDZTI-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819328 1220792579 /nfs/dbraw/zinc/79/25/79/1220792579.db2.gz QYVSEUBDALYLMC-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819328 1220792582 /nfs/dbraw/zinc/79/25/82/1220792582.db2.gz QYVSEUBDALYLMC-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819328 1220792587 /nfs/dbraw/zinc/79/25/87/1220792587.db2.gz QYVSEUBDALYLMC-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819328 1220792591 /nfs/dbraw/zinc/79/25/91/1220792591.db2.gz QYVSEUBDALYLMC-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159332 1220841449 /nfs/dbraw/zinc/84/14/49/1220841449.db2.gz DPJISNKUWORUNG-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159332 1220841452 /nfs/dbraw/zinc/84/14/52/1220841452.db2.gz DPJISNKUWORUNG-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP 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CN(CC1(C)COC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118822490 1221832846 /nfs/dbraw/zinc/83/28/46/1221832846.db2.gz JZROZLFMKFLNMJ-MRXNPFEDSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC1(C)COC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118822490 1221832848 /nfs/dbraw/zinc/83/28/48/1221832848.db2.gz JZROZLFMKFLNMJ-MRXNPFEDSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348242 1226076625 /nfs/dbraw/zinc/07/66/25/1226076625.db2.gz YGVIJGLDWHIUDP-HUUCEWRRSA-N 2 2 364.494 0.998 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352550 1226077099 /nfs/dbraw/zinc/07/70/99/1226077099.db2.gz FPJWBBYSESQEFX-BZUAXINKSA-N 2 2 365.478 0.441 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001119005951 1221854529 /nfs/dbraw/zinc/85/45/29/1221854529.db2.gz WDDKVIVYORNUSW-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001119005951 1221854530 /nfs/dbraw/zinc/85/45/30/1221854530.db2.gz WDDKVIVYORNUSW-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC001119290185 1221897419 /nfs/dbraw/zinc/89/74/19/1221897419.db2.gz QZZLPFMYXPVLKE-DOTOQJQBSA-N 2 2 360.458 0.078 20 0 FCADLP CCN(C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC001119401572 1221912239 /nfs/dbraw/zinc/91/22/39/1221912239.db2.gz FCJZCKNLPFNLNZ-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC001119401572 1221912241 /nfs/dbraw/zinc/91/22/41/1221912241.db2.gz FCJZCKNLPFNLNZ-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001119406467 1221912541 /nfs/dbraw/zinc/91/25/41/1221912541.db2.gz LLLSBYHADQVKQU-YOEHRIQHSA-N 2 2 360.458 0.083 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001120694426 1222115352 /nfs/dbraw/zinc/11/53/52/1222115352.db2.gz UOINWPSLGWHZGB-HNNXBMFYSA-N 2 2 372.510 0.356 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001120694426 1222115353 /nfs/dbraw/zinc/11/53/53/1222115353.db2.gz UOINWPSLGWHZGB-HNNXBMFYSA-N 2 2 372.510 0.356 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C ZINC001121507835 1222187669 /nfs/dbraw/zinc/18/76/69/1222187669.db2.gz OITMFYVVZOGXML-HNNXBMFYSA-N 2 2 374.493 0.879 20 0 FCADLP COC(=O)c1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001231426896 1226106466 /nfs/dbraw/zinc/10/64/66/1226106466.db2.gz MNOPSGOBMCYTBA-UHFFFAOYSA-N 2 2 360.458 0.854 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510810 1222336787 /nfs/dbraw/zinc/33/67/87/1222336787.db2.gz WMYAFVQYUAPWKO-QAPCUYQASA-N 2 2 371.485 0.401 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510810 1222336792 /nfs/dbraw/zinc/33/67/92/1222336792.db2.gz WMYAFVQYUAPWKO-QAPCUYQASA-N 2 2 371.485 0.401 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC001123696011 1222350922 /nfs/dbraw/zinc/35/09/22/1222350922.db2.gz YYZQKDCRTGEDDT-XYJFISCASA-N 2 2 360.506 0.936 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC001123696011 1222350927 /nfs/dbraw/zinc/35/09/27/1222350927.db2.gz YYZQKDCRTGEDDT-XYJFISCASA-N 2 2 360.506 0.936 20 0 FCADLP [NH3+]CCCCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000830171422 1222466168 /nfs/dbraw/zinc/46/61/68/1222466168.db2.gz UCGKQTBECIYYOM-UHFFFAOYSA-N 2 2 362.478 0.481 20 0 FCADLP [NH3+]CCCCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000830171422 1222466176 /nfs/dbraw/zinc/46/61/76/1222466176.db2.gz UCGKQTBECIYYOM-UHFFFAOYSA-N 2 2 362.478 0.481 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(O)cc(O)c3)CC[C@@H]2C1 ZINC001138327286 1222500525 /nfs/dbraw/zinc/50/05/25/1222500525.db2.gz TYINYHZWOAKDKQ-CRAIPNDOSA-N 2 2 363.458 0.709 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(O)cc(O)c3)CC[C@@H]2C1 ZINC001138327286 1222500531 /nfs/dbraw/zinc/50/05/31/1222500531.db2.gz TYINYHZWOAKDKQ-CRAIPNDOSA-N 2 2 363.458 0.709 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(O)cc(O)c3)CC[C@@H]2C1 ZINC001138327286 1222500538 /nfs/dbraw/zinc/50/05/38/1222500538.db2.gz TYINYHZWOAKDKQ-CRAIPNDOSA-N 2 2 363.458 0.709 20 0 FCADLP O=C1CC[C@H](C[N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)N1 ZINC001202830352 1222508636 /nfs/dbraw/zinc/50/86/36/1222508636.db2.gz BFBYERHSFMIBPT-OAHLLOKOSA-N 2 2 362.478 0.375 20 0 FCADLP O=C1CC[C@H](C[N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)N1 ZINC001202830352 1222508637 /nfs/dbraw/zinc/50/86/37/1222508637.db2.gz BFBYERHSFMIBPT-OAHLLOKOSA-N 2 2 362.478 0.375 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](O)[C@H](OC)C3)cc2)CC1 ZINC000832001636 1222518878 /nfs/dbraw/zinc/51/88/78/1222518878.db2.gz RJALTJJYJDSMRS-QZTJIDSGSA-N 2 2 362.474 0.459 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@@H](O)[C@H](OC)C3)cc2)CC1 ZINC000832001636 1222518882 /nfs/dbraw/zinc/51/88/82/1222518882.db2.gz RJALTJJYJDSMRS-QZTJIDSGSA-N 2 2 362.474 0.459 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C[C@H]21 ZINC001140024900 1222564451 /nfs/dbraw/zinc/56/44/51/1222564451.db2.gz KPLVSMVLGLTNCS-MOPGFXCFSA-N 2 2 369.469 0.812 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C[C@H]21 ZINC001140024900 1222564452 /nfs/dbraw/zinc/56/44/52/1222564452.db2.gz KPLVSMVLGLTNCS-MOPGFXCFSA-N 2 2 369.469 0.812 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000834575168 1222579997 /nfs/dbraw/zinc/57/99/97/1222579997.db2.gz BNWOTSHRLDZMRL-GASCZTMLSA-N 2 2 365.478 0.265 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000834575168 1222580001 /nfs/dbraw/zinc/58/00/01/1222580001.db2.gz BNWOTSHRLDZMRL-GASCZTMLSA-N 2 2 365.478 0.265 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817431 1222591366 /nfs/dbraw/zinc/59/13/66/1222591366.db2.gz QUQBWYLXADJXFS-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817431 1222591368 /nfs/dbraw/zinc/59/13/68/1222591368.db2.gz QUQBWYLXADJXFS-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817431 1222591370 /nfs/dbraw/zinc/59/13/70/1222591370.db2.gz QUQBWYLXADJXFS-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817431 1222591371 /nfs/dbraw/zinc/59/13/71/1222591371.db2.gz QUQBWYLXADJXFS-AIANPOQGSA-N 2 2 366.506 0.153 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1cc[nH]c1)CC2 ZINC001140706241 1222609226 /nfs/dbraw/zinc/60/92/26/1222609226.db2.gz NZYOGTDXSZDARG-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1cc[nH]c1)CC2 ZINC001140706241 1222609230 /nfs/dbraw/zinc/60/92/30/1222609230.db2.gz NZYOGTDXSZDARG-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1cn[nH]c1)CC2 ZINC001203094634 1222631620 /nfs/dbraw/zinc/63/16/20/1222631620.db2.gz ZUAHNRAMSCPDFA-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1cn[nH]c1)CC2 ZINC001203094634 1222631623 /nfs/dbraw/zinc/63/16/23/1222631623.db2.gz ZUAHNRAMSCPDFA-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2cn[nH]c2)CC3)cn1 ZINC001203094425 1222632031 /nfs/dbraw/zinc/63/20/31/1222632031.db2.gz VMVZRJJGWRVJSP-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2cn[nH]c2)CC3)cn1 ZINC001203094425 1222632034 /nfs/dbraw/zinc/63/20/34/1222632034.db2.gz VMVZRJJGWRVJSP-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)nc2)O1 ZINC001232366267 1226148283 /nfs/dbraw/zinc/14/82/83/1226148283.db2.gz YIBIVEWCQRCNJP-KURKYZTESA-N 2 2 373.501 0.653 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)nc2)O1 ZINC001232366267 1226148286 /nfs/dbraw/zinc/14/82/86/1226148286.db2.gz YIBIVEWCQRCNJP-KURKYZTESA-N 2 2 373.501 0.653 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)CCC1=O ZINC001232360953 1226149160 /nfs/dbraw/zinc/14/91/60/1226149160.db2.gz AWVJGYWNZBSOCZ-UHFFFAOYSA-N 3 2 374.533 0.429 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)CCC1=O ZINC001232360953 1226149162 /nfs/dbraw/zinc/14/91/62/1226149162.db2.gz AWVJGYWNZBSOCZ-UHFFFAOYSA-N 3 2 374.533 0.429 20 0 FCADLP COC(=O)c1cccc2n[nH]c(C[N@H+]3CCC(=O)N(CC[NH+](C)C)CC3)c21 ZINC001232438767 1226152306 /nfs/dbraw/zinc/15/23/06/1226152306.db2.gz BRIROJGTGAHURU-UHFFFAOYSA-N 2 2 373.457 0.945 20 0 FCADLP COC(=O)c1cccc2n[nH]c(C[N@@H+]3CCC(=O)N(CC[NH+](C)C)CC3)c21 ZINC001232438767 1226152311 /nfs/dbraw/zinc/15/23/11/1226152311.db2.gz BRIROJGTGAHURU-UHFFFAOYSA-N 2 2 373.457 0.945 20 0 FCADLP COC(=O)c1cccc2[nH]nc(C[N@H+]3CCC(=O)N(CC[NH+](C)C)CC3)c21 ZINC001232438767 1226152314 /nfs/dbraw/zinc/15/23/14/1226152314.db2.gz BRIROJGTGAHURU-UHFFFAOYSA-N 2 2 373.457 0.945 20 0 FCADLP COC(=O)c1cccc2[nH]nc(C[N@@H+]3CCC(=O)N(CC[NH+](C)C)CC3)c21 ZINC001232438767 1226152319 /nfs/dbraw/zinc/15/23/19/1226152319.db2.gz BRIROJGTGAHURU-UHFFFAOYSA-N 2 2 373.457 0.945 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000842034847 1222833256 /nfs/dbraw/zinc/83/32/56/1222833256.db2.gz BSQQNCMPAZOSSF-MRXNPFEDSA-N 2 2 370.457 0.648 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1C ZINC000842147126 1222837347 /nfs/dbraw/zinc/83/73/47/1222837347.db2.gz BKDXIJKMJYRWDH-GXTWGEPZSA-N 2 2 364.446 0.552 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cn1 ZINC000842164088 1222838397 /nfs/dbraw/zinc/83/83/97/1222838397.db2.gz UQMFMKKAERHPLN-QWHCGFSZSA-N 2 2 356.430 0.401 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@@H]([NH3+])C4CC4)n3)cn2)CC1 ZINC000843206574 1222860278 /nfs/dbraw/zinc/86/02/78/1222860278.db2.gz OAPQUDKVBLZLLM-CQSZACIVSA-N 2 2 356.430 0.799 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843209942 1222860942 /nfs/dbraw/zinc/86/09/42/1222860942.db2.gz QJWPMERZXKOXOC-CQSZACIVSA-N 2 2 356.430 0.814 20 0 FCADLP C[N@H+](CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H]1O ZINC001151967447 1222937851 /nfs/dbraw/zinc/93/78/51/1222937851.db2.gz OQHNAPZDOOOEQZ-HZPDHXFCSA-N 2 2 369.506 0.754 20 0 FCADLP C[N@@H+](CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)[C@@H]1CCC[C@H]1O ZINC001151967447 1222937855 /nfs/dbraw/zinc/93/78/55/1222937855.db2.gz OQHNAPZDOOOEQZ-HZPDHXFCSA-N 2 2 369.506 0.754 20 0 FCADLP Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001277704850 1226165284 /nfs/dbraw/zinc/16/52/84/1226165284.db2.gz LPUYWSXPRALXFW-GOSISDBHSA-N 2 2 356.430 0.364 20 0 FCADLP Nc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001277704850 1226165288 /nfs/dbraw/zinc/16/52/88/1226165288.db2.gz LPUYWSXPRALXFW-GOSISDBHSA-N 2 2 356.430 0.364 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]cn1 ZINC001155389489 1223034700 /nfs/dbraw/zinc/03/47/00/1223034700.db2.gz HUQKJXRFCBAUND-HUUCEWRRSA-N 2 2 374.489 0.891 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc[nH+]1 ZINC001155389489 1223034702 /nfs/dbraw/zinc/03/47/02/1223034702.db2.gz HUQKJXRFCBAUND-HUUCEWRRSA-N 2 2 374.489 0.891 20 0 FCADLP CC1(C)NC(=O)N(Cc2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)[nH+]c2)C1=O ZINC001155484754 1223035567 /nfs/dbraw/zinc/03/55/67/1223035567.db2.gz QHHCIWVYTCSFJV-MGPQQGTHSA-N 2 2 359.430 0.558 20 0 FCADLP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)N1 ZINC001155574028 1223037807 /nfs/dbraw/zinc/03/78/07/1223037807.db2.gz DIPCTBQAAGRWQY-YVEFUNNKSA-N 2 2 358.450 0.062 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157615428 1223079534 /nfs/dbraw/zinc/07/95/34/1223079534.db2.gz LHONUXALHPIXBT-UWVAXJGDSA-N 3 2 373.545 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615428 1223079540 /nfs/dbraw/zinc/07/95/40/1223079540.db2.gz LHONUXALHPIXBT-UWVAXJGDSA-N 3 2 373.545 0.858 20 0 FCADLP C(Nc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)C1([NH+]2CCCC2)COC1 ZINC001157654999 1223080419 /nfs/dbraw/zinc/08/04/19/1223080419.db2.gz HWGFCHWLXWBDOF-UHFFFAOYSA-N 2 2 360.462 0.193 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001158000260 1223086302 /nfs/dbraw/zinc/08/63/02/1223086302.db2.gz XASVSADZLQEASS-JKSUJKDBSA-N 2 2 362.474 0.246 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(C(=O)NC4CCOCC4)nn3)CC2)C1 ZINC001158266610 1223092990 /nfs/dbraw/zinc/09/29/90/1223092990.db2.gz DYOXGYRGDQKZRL-AWEZNQCLSA-N 2 2 374.489 0.387 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(C(=O)NC4CCOCC4)nn3)CC2)C1 ZINC001158266610 1223092994 /nfs/dbraw/zinc/09/29/94/1223092994.db2.gz DYOXGYRGDQKZRL-AWEZNQCLSA-N 2 2 374.489 0.387 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)N1C[C@H]3c4ccccc4C[NH2+][C@@H]3C1)C[NH2+]C2 ZINC001158327891 1223095158 /nfs/dbraw/zinc/09/51/58/1223095158.db2.gz QLARIXDUFLQWQS-HLLBOEOZSA-N 2 2 352.442 0.583 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NCc2ncn3c2C[NH2+]CCC3)[nH+]cn1 ZINC001158364171 1223095466 /nfs/dbraw/zinc/09/54/66/1223095466.db2.gz NXRIYTPRLGGJSO-ZDUSSCGKSA-N 2 2 356.434 0.233 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NCc2ncn3c2C[NH2+]CCC3)nc[nH+]1 ZINC001158364171 1223095469 /nfs/dbraw/zinc/09/54/69/1223095469.db2.gz NXRIYTPRLGGJSO-ZDUSSCGKSA-N 2 2 356.434 0.233 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(=O)OCc2ccccc2)CC1 ZINC001158603617 1223103202 /nfs/dbraw/zinc/10/32/02/1223103202.db2.gz HKLYWKUUBIEDNR-QGZVFWFLSA-N 2 2 363.458 0.628 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158926307 1223112887 /nfs/dbraw/zinc/11/28/87/1223112887.db2.gz QEZJXAFFGIOZNI-BXWFABGCSA-N 2 2 360.433 0.323 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC[NH2+]CC1 ZINC001159057869 1223116344 /nfs/dbraw/zinc/11/63/44/1223116344.db2.gz NWEQTBCACJBWQM-UHFFFAOYSA-N 2 2 372.469 0.492 20 0 FCADLP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001159125211 1223117734 /nfs/dbraw/zinc/11/77/34/1223117734.db2.gz DUZHCVRABXFHDG-OAHLLOKOSA-N 2 2 362.478 0.107 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CC3CCC3)C2)C1 ZINC001159126269 1223117994 /nfs/dbraw/zinc/11/79/94/1223117994.db2.gz NFIWNPCGRNEILW-QFBILLFUSA-N 2 2 366.506 0.191 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CC3CCC3)C2)C1 ZINC001159126269 1223117996 /nfs/dbraw/zinc/11/79/96/1223117996.db2.gz NFIWNPCGRNEILW-QFBILLFUSA-N 2 2 366.506 0.191 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n1 ZINC001159258437 1223122215 /nfs/dbraw/zinc/12/22/15/1223122215.db2.gz RRWVLVJSHOXBOE-XEIOYGOASA-N 2 2 369.469 0.042 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCN(C(=O)c3ccccc3)C2)CC1 ZINC001159280068 1223122616 /nfs/dbraw/zinc/12/26/16/1223122616.db2.gz YGKRXDDENDTHIE-IRXDYDNUSA-N 2 2 356.470 0.688 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001159282576 1223122664 /nfs/dbraw/zinc/12/26/64/1223122664.db2.gz DEJHLQCBQXXASY-OALUTQOASA-N 2 2 367.453 0.625 20 0 FCADLP N[C@]1(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)CC[NH2+]C1 ZINC001159283039 1223122981 /nfs/dbraw/zinc/12/29/81/1223122981.db2.gz MHNGHRFPAOPHNL-KBXCAEBGSA-N 2 2 356.430 0.006 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159283048 1223123193 /nfs/dbraw/zinc/12/31/93/1223123193.db2.gz MMFUQCYOGVUMGL-PBHICJAKSA-N 2 2 373.413 0.206 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)C1 ZINC001159340511 1223125250 /nfs/dbraw/zinc/12/52/50/1223125250.db2.gz WYJRFSSSKNYISZ-IPYPFGDCSA-N 2 2 364.421 0.439 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514727 1223129156 /nfs/dbraw/zinc/12/91/56/1223129156.db2.gz JSXMESOBCAPYMT-AWEZNQCLSA-N 3 2 360.466 0.102 20 0 FCADLP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001159608526 1223131120 /nfs/dbraw/zinc/13/11/20/1223131120.db2.gz ISZFMFAUGFCOKO-OGBOXQOFSA-N 2 2 372.473 0.141 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159677013 1223133543 /nfs/dbraw/zinc/13/35/43/1223133543.db2.gz AZRMDQAKFHFIKL-INIZCTEOSA-N 3 2 361.490 0.736 20 0 FCADLP O=C(N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159699636 1223134477 /nfs/dbraw/zinc/13/44/77/1223134477.db2.gz XKKKMWKILFXNMW-DYWWHBPLSA-N 2 2 372.469 0.418 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159800928 1223136979 /nfs/dbraw/zinc/13/69/79/1223136979.db2.gz ZFCKYEIFRMSRMP-HOCLYGCPSA-N 2 2 368.445 0.042 20 0 FCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159989818 1223142026 /nfs/dbraw/zinc/14/20/26/1223142026.db2.gz DFAOMLQBEQUBHR-PIIMJCKOSA-N 2 2 368.481 0.445 20 0 FCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159989818 1223142028 /nfs/dbraw/zinc/14/20/28/1223142028.db2.gz DFAOMLQBEQUBHR-PIIMJCKOSA-N 2 2 368.481 0.445 20 0 FCADLP O=C(C1CC[NH2+]CC1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159995217 1223142417 /nfs/dbraw/zinc/14/24/17/1223142417.db2.gz WBBVVBNIAUBRRT-UHFFFAOYSA-N 2 2 370.497 0.979 20 0 FCADLP O=C(C1CC[NH2+]CC1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159995217 1223142421 /nfs/dbraw/zinc/14/24/21/1223142421.db2.gz WBBVVBNIAUBRRT-UHFFFAOYSA-N 2 2 370.497 0.979 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CC2)Cc2ccccc2CNC3=O)CC[NH2+]CC1 ZINC001160155271 1223147540 /nfs/dbraw/zinc/14/75/40/1223147540.db2.gz HIRBAZCKSPIQMB-UHFFFAOYSA-N 2 2 356.470 0.549 20 0 FCADLP [NH3+]C1(C(=O)N2CCc3onc(COc4ccccn4)c3C2)CC[NH2+]CC1 ZINC001160179923 1223147935 /nfs/dbraw/zinc/14/79/35/1223147935.db2.gz OTSVAOJFOZFETI-UHFFFAOYSA-N 2 2 357.414 0.614 20 0 FCADLP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)C3([NH3+])CC[NH2+]CC3)C2)O1 ZINC001160227030 1223150994 /nfs/dbraw/zinc/15/09/94/1223150994.db2.gz FRBRDUHODKCYSM-MAUKXSAKSA-N 2 2 366.506 0.380 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)C1 ZINC001160314736 1223154387 /nfs/dbraw/zinc/15/43/87/1223154387.db2.gz XZRIOXVMCCQCAW-IRXDYDNUSA-N 2 2 356.470 0.859 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC001160503679 1223163195 /nfs/dbraw/zinc/16/31/95/1223163195.db2.gz BSTFVKXYAZEHIH-DLBZAZTESA-N 2 2 360.458 0.499 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC001160537149 1223164176 /nfs/dbraw/zinc/16/41/76/1223164176.db2.gz GNZUSVKSRPIEAK-MRXNPFEDSA-N 2 2 366.425 0.745 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160621031 1223166548 /nfs/dbraw/zinc/16/65/48/1223166548.db2.gz ITQNCUPVPIVKCZ-OAHLLOKOSA-N 2 2 369.404 0.643 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160620920 1223166833 /nfs/dbraw/zinc/16/68/33/1223166833.db2.gz GZFWPLGFLNMBRS-CWRNSKLLSA-N 2 2 370.432 0.300 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001160695378 1223168916 /nfs/dbraw/zinc/16/89/16/1223168916.db2.gz DYYJJYKYYVHLJF-OAHLLOKOSA-N 2 2 372.429 0.057 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001160700171 1223169296 /nfs/dbraw/zinc/16/92/96/1223169296.db2.gz KSXCFVRXYHHQIY-OAHLLOKOSA-N 2 2 374.445 0.785 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726184 1223170512 /nfs/dbraw/zinc/17/05/12/1223170512.db2.gz KOMUGWUBOJLKGI-KRWDZBQOSA-N 2 2 355.442 0.733 20 0 FCADLP [NH3+]C1(C(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)CC[NH2+]CC1 ZINC001160905958 1223180217 /nfs/dbraw/zinc/18/02/17/1223180217.db2.gz WYOGIMFQWJFETB-UHFFFAOYSA-N 2 2 356.430 0.036 20 0 FCADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160955393 1223181692 /nfs/dbraw/zinc/18/16/92/1223181692.db2.gz ANCMXMOMRBSTJN-BPUTZDHNSA-N 2 2 357.462 0.439 20 0 FCADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160955393 1223181695 /nfs/dbraw/zinc/18/16/95/1223181695.db2.gz ANCMXMOMRBSTJN-BPUTZDHNSA-N 2 2 357.462 0.439 20 0 FCADLP [NH3+][C@H](CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C(=O)OCc1ccccc1 ZINC001160999832 1223182660 /nfs/dbraw/zinc/18/26/60/1223182660.db2.gz LRBYQEGBHSMBNE-HZPDHXFCSA-N 2 2 361.442 0.163 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC001161085162 1223184769 /nfs/dbraw/zinc/18/47/69/1223184769.db2.gz OIWVHDBGZYZFGU-YBKUAAOGSA-N 2 2 361.417 0.492 20 0 FCADLP COc1cc2[nH+]c(C)nc(NCCN(CC[NH3+])N(O)N=O)c2cc1OC ZINC001161092515 1223185902 /nfs/dbraw/zinc/18/59/02/1223185902.db2.gz SGPHGDQHWVDNJB-UHFFFAOYSA-N 2 2 365.394 0.916 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161138362 1223187111 /nfs/dbraw/zinc/18/71/11/1223187111.db2.gz SUYKEDFJJZNNLR-CRAIPNDOSA-N 2 2 359.426 0.439 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C2(c3ccc(OC)cc3)CC[NH2+]CC2)C1 ZINC001161139233 1223187113 /nfs/dbraw/zinc/18/71/13/1223187113.db2.gz NUEQSNLHMIQAQG-LJQANCHMSA-N 2 2 361.442 0.419 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001161253447 1223193018 /nfs/dbraw/zinc/19/30/18/1223193018.db2.gz SSOYWULDNDBWND-ZACQAIPSSA-N 2 2 371.485 0.941 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001161253447 1223193021 /nfs/dbraw/zinc/19/30/21/1223193021.db2.gz SSOYWULDNDBWND-ZACQAIPSSA-N 2 2 371.485 0.941 20 0 FCADLP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161328939 1223196062 /nfs/dbraw/zinc/19/60/62/1223196062.db2.gz OIEPAGZSSIGZTF-JXFKEZNVSA-N 2 2 356.470 0.701 20 0 FCADLP COc1cc(N(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C2CC[NH2+]CC2)ccn1 ZINC001161387102 1223197776 /nfs/dbraw/zinc/19/77/76/1223197776.db2.gz ZXNLUWBSLAUZQX-INIZCTEOSA-N 3 2 358.446 0.479 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001161438187 1223199158 /nfs/dbraw/zinc/19/91/58/1223199158.db2.gz CUUHELIQMFLNLQ-PBHICJAKSA-N 2 2 355.442 0.663 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001161455389 1223199704 /nfs/dbraw/zinc/19/97/04/1223199704.db2.gz FHDJCWHTJGBBME-QGZVFWFLSA-N 2 2 353.426 0.757 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001161461531 1223200026 /nfs/dbraw/zinc/20/00/26/1223200026.db2.gz TUESDPYLRGOSSS-IRXDYDNUSA-N 2 2 352.442 0.339 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C(N)=O)n3)CC2)CC1 ZINC001162190999 1223211265 /nfs/dbraw/zinc/21/12/65/1223211265.db2.gz JJNOQNWWQXXRQR-UHFFFAOYSA-N 2 2 359.474 0.813 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C(N)=O)n3)CC2)CC1 ZINC001162190999 1223211267 /nfs/dbraw/zinc/21/12/67/1223211267.db2.gz JJNOQNWWQXXRQR-UHFFFAOYSA-N 2 2 359.474 0.813 20 0 FCADLP O=C(NCCC[NH2+]C[C@H]1CCCOC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995682 1223223650 /nfs/dbraw/zinc/22/36/50/1223223650.db2.gz CIKHLHOGOQPZBZ-KURKYZTESA-N 2 2 369.506 0.389 20 0 FCADLP C[NH+]1CCN(C(=O)c2cccc(NCc3nnc4n3CCC[NH2+]C4)c2)CC1 ZINC001163028020 1223224548 /nfs/dbraw/zinc/22/45/48/1223224548.db2.gz UHEACNOWXSOPMI-UHFFFAOYSA-N 2 2 369.473 0.771 20 0 FCADLP COC(=O)C1CCN(c2cc(N[C@@H]3COCCC34C[NH2+]C4)[nH+]cn2)CC1 ZINC001163067922 1223225357 /nfs/dbraw/zinc/22/53/57/1223225357.db2.gz DSEFWGYAWBCKRM-CQSZACIVSA-N 2 2 361.446 0.656 20 0 FCADLP COC(=O)C1CCN(c2cc(N[C@@H]3COCCC34C[NH2+]C4)nc[nH+]2)CC1 ZINC001163067922 1223225361 /nfs/dbraw/zinc/22/53/61/1223225361.db2.gz DSEFWGYAWBCKRM-CQSZACIVSA-N 2 2 361.446 0.656 20 0 FCADLP CCOC(=O)[C@@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001165172160 1223242983 /nfs/dbraw/zinc/24/29/83/1223242983.db2.gz HOMNPMQFGJDMKQ-UZLBHIALSA-N 3 2 373.501 0.812 20 0 FCADLP COC(=O)C1(Nc2cc(C(=O)N3CC[NH+](C)CC3)ccn2)CC[NH2+]CC1 ZINC001166922913 1223289473 /nfs/dbraw/zinc/28/94/73/1223289473.db2.gz MRCFDVPQQBSIQT-UHFFFAOYSA-N 2 2 361.446 0.176 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1noc2c1COCC2 ZINC001166969594 1223290445 /nfs/dbraw/zinc/29/04/45/1223290445.db2.gz XVZBWJNDKLQTSX-CHWSQXEVSA-N 2 2 359.430 0.880 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205458600 1223324529 /nfs/dbraw/zinc/32/45/29/1223324529.db2.gz OMHZYHCIYUVJCW-JKSUJKDBSA-N 2 2 359.405 0.352 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206921508 1223388280 /nfs/dbraw/zinc/38/82/80/1223388280.db2.gz UEMHTDATUDQAJG-ZIAGYGMSSA-N 2 2 364.494 0.877 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206921508 1223388283 /nfs/dbraw/zinc/38/82/83/1223388283.db2.gz UEMHTDATUDQAJG-ZIAGYGMSSA-N 2 2 364.494 0.877 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001207262936 1223431539 /nfs/dbraw/zinc/43/15/39/1223431539.db2.gz MNEJAICRAYQYJA-HYVNUMGLSA-N 2 2 370.513 0.971 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001207262936 1223431541 /nfs/dbraw/zinc/43/15/41/1223431541.db2.gz MNEJAICRAYQYJA-HYVNUMGLSA-N 2 2 370.513 0.971 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335897 1223438633 /nfs/dbraw/zinc/43/86/33/1223438633.db2.gz CVVRPQFHGHPIRP-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335897 1223438635 /nfs/dbraw/zinc/43/86/35/1223438635.db2.gz CVVRPQFHGHPIRP-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335897 1223438639 /nfs/dbraw/zinc/43/86/39/1223438639.db2.gz CVVRPQFHGHPIRP-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001207335897 1223438643 /nfs/dbraw/zinc/43/86/43/1223438643.db2.gz CVVRPQFHGHPIRP-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC001207463703 1223448786 /nfs/dbraw/zinc/44/87/86/1223448786.db2.gz JYZMEVIYAMFFRC-OAHLLOKOSA-N 2 2 361.490 0.592 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+](C[C@H]1CCCOC1)CC2 ZINC001207463703 1223448791 /nfs/dbraw/zinc/44/87/91/1223448791.db2.gz JYZMEVIYAMFFRC-OAHLLOKOSA-N 2 2 361.490 0.592 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546815 1223454282 /nfs/dbraw/zinc/45/42/82/1223454282.db2.gz AVTDAKWFVWBHHP-KZNAEPCWSA-N 2 2 365.522 0.922 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546815 1223454285 /nfs/dbraw/zinc/45/42/85/1223454285.db2.gz AVTDAKWFVWBHHP-KZNAEPCWSA-N 2 2 365.522 0.922 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207546875 1223454559 /nfs/dbraw/zinc/45/45/59/1223454559.db2.gz DEKDTGWCWIUHOA-OIISXLGYSA-N 2 2 359.478 0.184 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207546875 1223454560 /nfs/dbraw/zinc/45/45/60/1223454560.db2.gz DEKDTGWCWIUHOA-OIISXLGYSA-N 2 2 359.478 0.184 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001207733715 1223474805 /nfs/dbraw/zinc/47/48/05/1223474805.db2.gz CTDRTGZNFLWQRU-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001207733715 1223474808 /nfs/dbraw/zinc/47/48/08/1223474808.db2.gz CTDRTGZNFLWQRU-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757779 1223477803 /nfs/dbraw/zinc/47/78/03/1223477803.db2.gz MHCFVHMWSXOBHH-BFYDXBDKSA-N 2 2 361.490 0.749 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757779 1223477805 /nfs/dbraw/zinc/47/78/05/1223477805.db2.gz MHCFVHMWSXOBHH-BFYDXBDKSA-N 2 2 361.490 0.749 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858946 1223486688 /nfs/dbraw/zinc/48/66/88/1223486688.db2.gz CZXKQQVVRIWZDR-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858946 1223486691 /nfs/dbraw/zinc/48/66/91/1223486691.db2.gz CZXKQQVVRIWZDR-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061449 1223511514 /nfs/dbraw/zinc/51/15/14/1223511514.db2.gz DIMVWNMBPYGLEI-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061449 1223511516 /nfs/dbraw/zinc/51/15/16/1223511516.db2.gz DIMVWNMBPYGLEI-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061844 1223511727 /nfs/dbraw/zinc/51/17/27/1223511727.db2.gz QFQUMTLRNRCKTG-GDBMZVCRSA-N 2 2 357.458 0.688 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061844 1223511731 /nfs/dbraw/zinc/51/17/31/1223511731.db2.gz QFQUMTLRNRCKTG-GDBMZVCRSA-N 2 2 357.458 0.688 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062024 1223511834 /nfs/dbraw/zinc/51/18/34/1223511834.db2.gz WGILYWIYUHOQRY-QLFBSQMISA-N 2 2 357.462 0.568 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062024 1223511836 /nfs/dbraw/zinc/51/18/36/1223511836.db2.gz WGILYWIYUHOQRY-QLFBSQMISA-N 2 2 357.462 0.568 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208207712 1223522393 /nfs/dbraw/zinc/52/23/93/1223522393.db2.gz YHVNYTMNDKIDAW-ZTFGCOKTSA-N 2 2 358.442 0.930 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208207712 1223522395 /nfs/dbraw/zinc/52/23/95/1223522395.db2.gz YHVNYTMNDKIDAW-ZTFGCOKTSA-N 2 2 358.442 0.930 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001208482579 1223549936 /nfs/dbraw/zinc/54/99/36/1223549936.db2.gz JXEJSDPZODBYPA-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001208482579 1223549943 /nfs/dbraw/zinc/54/99/43/1223549943.db2.gz JXEJSDPZODBYPA-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001208482579 1223549946 /nfs/dbraw/zinc/54/99/46/1223549946.db2.gz JXEJSDPZODBYPA-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001208482579 1223549950 /nfs/dbraw/zinc/54/99/50/1223549950.db2.gz JXEJSDPZODBYPA-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485224 1223551047 /nfs/dbraw/zinc/55/10/47/1223551047.db2.gz JHINFKSHWVOGBX-RHSMWYFYSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485224 1223551052 /nfs/dbraw/zinc/55/10/52/1223551052.db2.gz JHINFKSHWVOGBX-RHSMWYFYSA-N 2 2 362.474 0.674 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598104 1223562976 /nfs/dbraw/zinc/56/29/76/1223562976.db2.gz XLWHPSBHZYGRIL-UKPHBRMFSA-N 2 2 361.490 0.717 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598104 1223562980 /nfs/dbraw/zinc/56/29/80/1223562980.db2.gz XLWHPSBHZYGRIL-UKPHBRMFSA-N 2 2 361.490 0.717 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208611924 1223563347 /nfs/dbraw/zinc/56/33/47/1223563347.db2.gz YLVJZRMDHBIHOQ-MRXNPFEDSA-N 2 2 374.533 0.508 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611924 1223563351 /nfs/dbraw/zinc/56/33/51/1223563351.db2.gz YLVJZRMDHBIHOQ-MRXNPFEDSA-N 2 2 374.533 0.508 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208708001 1223571944 /nfs/dbraw/zinc/57/19/44/1223571944.db2.gz PKWILKTYPVMEMC-KLHDSHLOSA-N 2 2 361.490 0.827 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001208708001 1223571948 /nfs/dbraw/zinc/57/19/48/1223571948.db2.gz PKWILKTYPVMEMC-KLHDSHLOSA-N 2 2 361.490 0.827 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208995529 1223590659 /nfs/dbraw/zinc/59/06/59/1223590659.db2.gz LJWHWYCPXHPMJJ-OWCLPIDISA-N 2 2 364.494 0.978 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208995529 1223590662 /nfs/dbraw/zinc/59/06/62/1223590662.db2.gz LJWHWYCPXHPMJJ-OWCLPIDISA-N 2 2 364.494 0.978 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208996348 1223591491 /nfs/dbraw/zinc/59/14/91/1223591491.db2.gz VYUAYPSBTLCKNT-QLFBSQMISA-N 2 2 361.446 0.420 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208996348 1223591496 /nfs/dbraw/zinc/59/14/96/1223591496.db2.gz VYUAYPSBTLCKNT-QLFBSQMISA-N 2 2 361.446 0.420 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)CN(CCC(=O)OC(C)(C)C)C(=O)CO2 ZINC001276610348 1223594103 /nfs/dbraw/zinc/59/41/03/1223594103.db2.gz PPVRFMNZUSGQOS-LJQANCHMSA-N 2 2 369.506 0.973 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)CN(CCC(=O)OC(C)(C)C)C(=O)CO2 ZINC001276610348 1223594107 /nfs/dbraw/zinc/59/41/07/1223594107.db2.gz PPVRFMNZUSGQOS-LJQANCHMSA-N 2 2 369.506 0.973 20 0 FCADLP CCOC(=O)CCCCN1C[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276609972 1223594280 /nfs/dbraw/zinc/59/42/80/1223594280.db2.gz ODENWMVIQAPGBP-IBGZPJMESA-N 2 2 369.506 0.975 20 0 FCADLP CCOC(=O)CCCCN1C[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276609972 1223594282 /nfs/dbraw/zinc/59/42/82/1223594282.db2.gz ODENWMVIQAPGBP-IBGZPJMESA-N 2 2 369.506 0.975 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)C[C@@]2(F)CN(CC[NH+]3CCCCC3)C[C@@]12F ZINC001276639959 1223617564 /nfs/dbraw/zinc/61/75/64/1223617564.db2.gz UTQDUFPORQYTOH-ZWKOTPCHSA-N 2 2 367.444 0.943 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209487801 1223624584 /nfs/dbraw/zinc/62/45/84/1223624584.db2.gz DNLZCSHLLOAFQF-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209487801 1223624587 /nfs/dbraw/zinc/62/45/87/1223624587.db2.gz DNLZCSHLLOAFQF-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506449 1223626451 /nfs/dbraw/zinc/62/64/51/1223626451.db2.gz KWFCUBLXLCQFMZ-GDBMZVCRSA-N 2 2 363.462 0.144 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506449 1223626454 /nfs/dbraw/zinc/62/64/54/1223626454.db2.gz KWFCUBLXLCQFMZ-GDBMZVCRSA-N 2 2 363.462 0.144 20 0 FCADLP COCCN1CC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)[C@H](COC)C1=O ZINC001209731100 1223645047 /nfs/dbraw/zinc/64/50/47/1223645047.db2.gz VBVOVQJDERYYPK-MRXNPFEDSA-N 2 2 362.474 0.828 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734047 1223645741 /nfs/dbraw/zinc/64/57/41/1223645741.db2.gz KUXKSOFANPRDDQ-HKUYNNGSSA-N 2 2 360.458 0.724 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734047 1223645748 /nfs/dbraw/zinc/64/57/48/1223645748.db2.gz KUXKSOFANPRDDQ-HKUYNNGSSA-N 2 2 360.458 0.724 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032825 1223662884 /nfs/dbraw/zinc/66/28/84/1223662884.db2.gz AYVBVOTZLKECAB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032825 1223662888 /nfs/dbraw/zinc/66/28/88/1223662888.db2.gz AYVBVOTZLKECAB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032825 1223662892 /nfs/dbraw/zinc/66/28/92/1223662892.db2.gz AYVBVOTZLKECAB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032825 1223662895 /nfs/dbraw/zinc/66/28/95/1223662895.db2.gz AYVBVOTZLKECAB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP O=C(C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1)N1CCCC1 ZINC001276679138 1223669747 /nfs/dbraw/zinc/66/97/47/1223669747.db2.gz TYFVAJFVIGEXQR-INIZCTEOSA-N 2 2 359.474 0.724 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167868 1223761847 /nfs/dbraw/zinc/76/18/47/1223761847.db2.gz NLFRSNBOQAUVLO-BZUAXINKSA-N 2 2 365.478 0.312 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167868 1223761851 /nfs/dbraw/zinc/76/18/51/1223761851.db2.gz NLFRSNBOQAUVLO-BZUAXINKSA-N 2 2 365.478 0.312 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213137 1223769612 /nfs/dbraw/zinc/76/96/12/1223769612.db2.gz GIDXDPARXAOSIL-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213137 1223769615 /nfs/dbraw/zinc/76/96/15/1223769615.db2.gz GIDXDPARXAOSIL-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@H](OC)C2)cn1 ZINC001213241429 1223775190 /nfs/dbraw/zinc/77/51/90/1223775190.db2.gz BWKFEPVQNWVWOJ-IAGOWNOFSA-N 2 2 360.462 0.548 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@H](OC)C2)cn1 ZINC001213241429 1223775192 /nfs/dbraw/zinc/77/51/92/1223775192.db2.gz BWKFEPVQNWVWOJ-IAGOWNOFSA-N 2 2 360.462 0.548 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327272 1223785615 /nfs/dbraw/zinc/78/56/15/1223785615.db2.gz FOGBNDFIPGLGFL-CAOSSQGBSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327272 1223785617 /nfs/dbraw/zinc/78/56/17/1223785617.db2.gz FOGBNDFIPGLGFL-CAOSSQGBSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001213327272 1223785618 /nfs/dbraw/zinc/78/56/18/1223785618.db2.gz FOGBNDFIPGLGFL-CAOSSQGBSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001213327272 1223785620 /nfs/dbraw/zinc/78/56/20/1223785620.db2.gz FOGBNDFIPGLGFL-CAOSSQGBSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213337891 1223787633 /nfs/dbraw/zinc/78/76/33/1223787633.db2.gz HIZKTJFFXJSDAT-HZPDHXFCSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213337891 1223787634 /nfs/dbraw/zinc/78/76/34/1223787634.db2.gz HIZKTJFFXJSDAT-HZPDHXFCSA-N 2 2 366.506 0.012 20 0 FCADLP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374756 1223791800 /nfs/dbraw/zinc/79/18/00/1223791800.db2.gz VZOKPBHVBXCTOF-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374756 1223791802 /nfs/dbraw/zinc/79/18/02/1223791802.db2.gz VZOKPBHVBXCTOF-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435297 1223798336 /nfs/dbraw/zinc/79/83/36/1223798336.db2.gz VDUKWCKZYQZSAU-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435297 1223798338 /nfs/dbraw/zinc/79/83/38/1223798338.db2.gz VDUKWCKZYQZSAU-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213434598 1223798474 /nfs/dbraw/zinc/79/84/74/1223798474.db2.gz IJVABSLVDKYKKN-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213434598 1223798475 /nfs/dbraw/zinc/79/84/75/1223798475.db2.gz IJVABSLVDKYKKN-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438358 1223798748 /nfs/dbraw/zinc/79/87/48/1223798748.db2.gz WBQLTAJWQLJINW-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438358 1223798751 /nfs/dbraw/zinc/79/87/51/1223798751.db2.gz WBQLTAJWQLJINW-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438358 1223798752 /nfs/dbraw/zinc/79/87/52/1223798752.db2.gz WBQLTAJWQLJINW-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438358 1223798754 /nfs/dbraw/zinc/79/87/54/1223798754.db2.gz WBQLTAJWQLJINW-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442388 1223799391 /nfs/dbraw/zinc/79/93/91/1223799391.db2.gz OZDHSELQVFTHKB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442388 1223799392 /nfs/dbraw/zinc/79/93/92/1223799392.db2.gz OZDHSELQVFTHKB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442388 1223799394 /nfs/dbraw/zinc/79/93/94/1223799394.db2.gz OZDHSELQVFTHKB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1)C1CC1 ZINC001213442388 1223799395 /nfs/dbraw/zinc/79/93/95/1223799395.db2.gz OZDHSELQVFTHKB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446468 1223800092 /nfs/dbraw/zinc/80/00/92/1223800092.db2.gz MEKOQQUEXSAUHQ-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446468 1223800093 /nfs/dbraw/zinc/80/00/93/1223800093.db2.gz MEKOQQUEXSAUHQ-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446468 1223800094 /nfs/dbraw/zinc/80/00/94/1223800094.db2.gz MEKOQQUEXSAUHQ-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446468 1223800095 /nfs/dbraw/zinc/80/00/95/1223800095.db2.gz MEKOQQUEXSAUHQ-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576194 1223816563 /nfs/dbraw/zinc/81/65/63/1223816563.db2.gz JKBPAXBKOXKWIK-HZPDHXFCSA-N 2 2 365.478 0.265 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576194 1223816564 /nfs/dbraw/zinc/81/65/64/1223816564.db2.gz JKBPAXBKOXKWIK-HZPDHXFCSA-N 2 2 365.478 0.265 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578243 1223816834 /nfs/dbraw/zinc/81/68/34/1223816834.db2.gz JVZAYXKLOXRDKE-HZPDHXFCSA-N 2 2 361.450 0.079 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578243 1223816836 /nfs/dbraw/zinc/81/68/36/1223816836.db2.gz JVZAYXKLOXRDKE-HZPDHXFCSA-N 2 2 361.450 0.079 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213614011 1223822707 /nfs/dbraw/zinc/82/27/07/1223822707.db2.gz IZJNADQNNLQCSV-IXDOHACOSA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213614011 1223822710 /nfs/dbraw/zinc/82/27/10/1223822710.db2.gz IZJNADQNNLQCSV-IXDOHACOSA-N 2 2 368.522 0.578 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213676039 1223830944 /nfs/dbraw/zinc/83/09/44/1223830944.db2.gz MRTBECUHWUBWRI-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213676039 1223830945 /nfs/dbraw/zinc/83/09/45/1223830945.db2.gz MRTBECUHWUBWRI-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213676039 1223830946 /nfs/dbraw/zinc/83/09/46/1223830946.db2.gz MRTBECUHWUBWRI-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213676039 1223830947 /nfs/dbraw/zinc/83/09/47/1223830947.db2.gz MRTBECUHWUBWRI-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213718873 1223839027 /nfs/dbraw/zinc/83/90/27/1223839027.db2.gz DSEUHKUXTAKUIS-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213718873 1223839029 /nfs/dbraw/zinc/83/90/29/1223839029.db2.gz DSEUHKUXTAKUIS-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001213718873 1223839033 /nfs/dbraw/zinc/83/90/33/1223839033.db2.gz DSEUHKUXTAKUIS-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001213718873 1223839035 /nfs/dbraw/zinc/83/90/35/1223839035.db2.gz DSEUHKUXTAKUIS-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747063 1223843175 /nfs/dbraw/zinc/84/31/75/1223843175.db2.gz CEDDELSAGFKGHI-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747063 1223843176 /nfs/dbraw/zinc/84/31/76/1223843176.db2.gz CEDDELSAGFKGHI-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802017 1223852424 /nfs/dbraw/zinc/85/24/24/1223852424.db2.gz KOPCPCQWNCMCKZ-QZTJIDSGSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802017 1223852425 /nfs/dbraw/zinc/85/24/25/1223852425.db2.gz KOPCPCQWNCMCKZ-QZTJIDSGSA-N 2 2 364.490 0.985 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863070 1223863779 /nfs/dbraw/zinc/86/37/79/1223863779.db2.gz BROOLFVVONBIDR-KZNAEPCWSA-N 2 2 371.522 0.587 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863070 1223863780 /nfs/dbraw/zinc/86/37/80/1223863780.db2.gz BROOLFVVONBIDR-KZNAEPCWSA-N 2 2 371.522 0.587 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892445 1223868212 /nfs/dbraw/zinc/86/82/12/1223868212.db2.gz GECSAHRCPRDTJI-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892445 1223868213 /nfs/dbraw/zinc/86/82/13/1223868213.db2.gz GECSAHRCPRDTJI-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892445 1223868216 /nfs/dbraw/zinc/86/82/16/1223868216.db2.gz GECSAHRCPRDTJI-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892445 1223868219 /nfs/dbraw/zinc/86/82/19/1223868219.db2.gz GECSAHRCPRDTJI-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922292 1223873050 /nfs/dbraw/zinc/87/30/50/1223873050.db2.gz YRVYPPUAAKYXBV-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922292 1223873054 /nfs/dbraw/zinc/87/30/54/1223873054.db2.gz YRVYPPUAAKYXBV-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814117 1223945155 /nfs/dbraw/zinc/94/51/55/1223945155.db2.gz GVIBNMOSFOBKSL-IIAWOOMASA-N 2 2 365.478 0.320 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814117 1223945157 /nfs/dbraw/zinc/94/51/57/1223945157.db2.gz GVIBNMOSFOBKSL-IIAWOOMASA-N 2 2 365.478 0.320 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005807 1223963405 /nfs/dbraw/zinc/96/34/05/1223963405.db2.gz INOMQKFFPNNAPG-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005756 1223963724 /nfs/dbraw/zinc/96/37/24/1223963724.db2.gz HDQNVEWITIETTE-OWCLPIDISA-N 2 2 361.490 0.798 20 0 FCADLP CCCC[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001215025067 1223964624 /nfs/dbraw/zinc/96/46/24/1223964624.db2.gz VRQDNPHSUUWQKP-IVMMDQJWSA-N 2 2 365.478 0.830 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200110 1223981673 /nfs/dbraw/zinc/98/16/73/1223981673.db2.gz PIXYNPPCYUHIFV-IXDOHACOSA-N 2 2 366.506 0.823 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001215227068 1223983848 /nfs/dbraw/zinc/98/38/48/1223983848.db2.gz XVWMKRRFGASCBY-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215585169 1224007549 /nfs/dbraw/zinc/00/75/49/1224007549.db2.gz COQMPEBXQWLQAJ-KBUPBQIOSA-N 2 2 361.490 0.875 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C[C@H]2C)n1 ZINC001215599317 1224008968 /nfs/dbraw/zinc/00/89/68/1224008968.db2.gz ZQKHVIWGUFOYGP-IIAWOOMASA-N 2 2 365.478 0.815 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978182927 1248718468 /nfs/dbraw/zinc/71/84/68/1248718468.db2.gz QUOIPVYHPOLBOS-RYPNDVFKSA-N 2 2 363.462 0.350 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978182927 1248718470 /nfs/dbraw/zinc/71/84/70/1248718470.db2.gz QUOIPVYHPOLBOS-RYPNDVFKSA-N 2 2 363.462 0.350 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978182927 1248718475 /nfs/dbraw/zinc/71/84/75/1248718475.db2.gz QUOIPVYHPOLBOS-RYPNDVFKSA-N 2 2 363.462 0.350 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC000978182927 1248718481 /nfs/dbraw/zinc/71/84/81/1248718481.db2.gz QUOIPVYHPOLBOS-RYPNDVFKSA-N 2 2 363.462 0.350 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1C ZINC000978184164 1248718830 /nfs/dbraw/zinc/71/88/30/1248718830.db2.gz TXUZEWAZZOJBMA-QCODTGAPSA-N 2 2 360.506 0.512 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1C ZINC000978184164 1248718839 /nfs/dbraw/zinc/71/88/39/1248718839.db2.gz TXUZEWAZZOJBMA-QCODTGAPSA-N 2 2 360.506 0.512 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1C ZINC000978184164 1248718845 /nfs/dbraw/zinc/71/88/45/1248718845.db2.gz TXUZEWAZZOJBMA-QCODTGAPSA-N 2 2 360.506 0.512 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1C ZINC000978184164 1248718851 /nfs/dbraw/zinc/71/88/51/1248718851.db2.gz TXUZEWAZZOJBMA-QCODTGAPSA-N 2 2 360.506 0.512 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nc(N(C)C)no4)C[C@H]32)CC[N@@H+]1C ZINC000978187886 1248718878 /nfs/dbraw/zinc/71/88/78/1248718878.db2.gz ZTQAYCWMHAQSIC-RYPNDVFKSA-N 2 2 362.478 0.270 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nc(N(C)C)no4)C[C@H]32)CC[N@H+]1C ZINC000978187886 1248718884 /nfs/dbraw/zinc/71/88/84/1248718884.db2.gz ZTQAYCWMHAQSIC-RYPNDVFKSA-N 2 2 362.478 0.270 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nc(N(C)C)no4)C[C@H]32)CC[NH+]1C ZINC000978187886 1248718891 /nfs/dbraw/zinc/71/88/91/1248718891.db2.gz ZTQAYCWMHAQSIC-RYPNDVFKSA-N 2 2 362.478 0.270 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nc(N(C)C)no4)C[C@H]32)CC[NH+]1C ZINC000978187886 1248718900 /nfs/dbraw/zinc/71/89/00/1248718900.db2.gz ZTQAYCWMHAQSIC-RYPNDVFKSA-N 2 2 362.478 0.270 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216402146 1224048605 /nfs/dbraw/zinc/04/86/05/1224048605.db2.gz VKUHDZKSEKKCON-MGPQQGTHSA-N 2 2 369.466 0.292 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216570153 1224055880 /nfs/dbraw/zinc/05/58/80/1224055880.db2.gz XQLCZYHEZGFYKM-XNRPHZJLSA-N 2 2 365.478 0.238 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216627301 1224059506 /nfs/dbraw/zinc/05/95/06/1224059506.db2.gz XCPAQJAQVLMEFQ-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719289 1226171732 /nfs/dbraw/zinc/17/17/32/1226171732.db2.gz LXOMYFPUXPXDFT-MAUKXSAKSA-N 2 2 364.446 0.122 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719289 1226171736 /nfs/dbraw/zinc/17/17/36/1226171736.db2.gz LXOMYFPUXPXDFT-MAUKXSAKSA-N 2 2 364.446 0.122 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)n1 ZINC000978289215 1248724538 /nfs/dbraw/zinc/72/45/38/1248724538.db2.gz GGPDUQUGUFERFV-HHARLNAUSA-N 2 2 369.473 0.716 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)n1 ZINC000978289215 1248724542 /nfs/dbraw/zinc/72/45/42/1248724542.db2.gz GGPDUQUGUFERFV-HHARLNAUSA-N 2 2 369.473 0.716 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)n1 ZINC000978289215 1248724550 /nfs/dbraw/zinc/72/45/50/1248724550.db2.gz GGPDUQUGUFERFV-HHARLNAUSA-N 2 2 369.473 0.716 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)n1 ZINC000978289215 1248724553 /nfs/dbraw/zinc/72/45/53/1248724553.db2.gz GGPDUQUGUFERFV-HHARLNAUSA-N 2 2 369.473 0.716 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000978431854 1248754010 /nfs/dbraw/zinc/75/40/10/1248754010.db2.gz CYIRMOLFCXQWEB-ARFHVFGLSA-N 2 2 370.457 0.788 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@@]3(C)C2)C1=O ZINC000982299942 1248786016 /nfs/dbraw/zinc/78/60/16/1248786016.db2.gz PTEJNGMCOJPOLD-CDDAVODSSA-N 2 2 371.485 0.914 20 0 FCADLP 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LYJPTEAWZKSHHY-XOKHGSTOSA-N 2 2 371.441 0.384 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000993200470 1249372546 /nfs/dbraw/zinc/37/25/46/1249372546.db2.gz IBPIRMNMOXFJIE-YZVOILCLSA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000993200470 1249372561 /nfs/dbraw/zinc/37/25/61/1249372561.db2.gz IBPIRMNMOXFJIE-YZVOILCLSA-N 2 2 359.474 0.519 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993575298 1249719342 /nfs/dbraw/zinc/71/93/42/1249719342.db2.gz BHJFKGNTMXLJBR-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993575298 1249719352 /nfs/dbraw/zinc/71/93/52/1249719352.db2.gz BHJFKGNTMXLJBR-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993576274 1249720905 /nfs/dbraw/zinc/72/09/05/1249720905.db2.gz 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/nfs/dbraw/zinc/79/17/42/1252791742.db2.gz QQFHMDODHKWGSV-ZJPZJRRFSA-N 2 2 359.474 0.849 20 0 FCADLP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001003745175 1253087659 /nfs/dbraw/zinc/08/76/59/1253087659.db2.gz JMJZGAYCQXMMHR-ZACQAIPSSA-N 2 2 359.474 0.863 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC1CC[NH+](C)CC1 ZINC001004362256 1253300219 /nfs/dbraw/zinc/30/02/19/1253300219.db2.gz IVODIILEJIHHER-NXHRZFHOSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC001004366620 1253301448 /nfs/dbraw/zinc/30/14/48/1253301448.db2.gz ZMUWHFFLWQTGDK-BMFZPTHFSA-N 2 2 359.474 0.695 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc([C@@H](C)CO)n3C)CC2)CC1 ZINC001519607133 1265736744 /nfs/dbraw/zinc/73/67/44/1265736744.db2.gz RBSASWUKZGHXCS-HNNXBMFYSA-N 2 2 350.511 0.907 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc([C@@H](C)CO)n3C)CC2)CC1 ZINC001519607133 1265736747 /nfs/dbraw/zinc/73/67/47/1265736747.db2.gz RBSASWUKZGHXCS-HNNXBMFYSA-N 2 2 350.511 0.907 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001005516935 1253570280 /nfs/dbraw/zinc/57/02/80/1253570280.db2.gz IBXKQBFQDJCNGQ-QXSJWSMHSA-N 2 2 357.458 0.542 20 0 FCADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001005586767 1253584628 /nfs/dbraw/zinc/58/46/28/1253584628.db2.gz XTWAOXLDMDUJFV-CRAIPNDOSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001005586767 1253584634 /nfs/dbraw/zinc/58/46/34/1253584634.db2.gz XTWAOXLDMDUJFV-CRAIPNDOSA-N 2 2 363.506 0.870 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21)[NH+](C)C ZINC001022018649 1253758762 /nfs/dbraw/zinc/75/87/62/1253758762.db2.gz FKJCAQSPQIMOIN-ARFHVFGLSA-N 2 2 361.490 0.752 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001022175074 1253802820 /nfs/dbraw/zinc/80/28/20/1253802820.db2.gz OANCYYITTSOEFM-JKSUJKDBSA-N 2 2 356.430 0.456 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001022175623 1253805261 /nfs/dbraw/zinc/80/52/61/1253805261.db2.gz XVDBHDBSFUFTMX-JKSUJKDBSA-N 2 2 356.430 0.538 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001027418738 1253852990 /nfs/dbraw/zinc/85/29/90/1253852990.db2.gz IOJJCRJOGNLUEL-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001027418738 1253853005 /nfs/dbraw/zinc/85/30/05/1253853005.db2.gz IOJJCRJOGNLUEL-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001027418738 1253853016 /nfs/dbraw/zinc/85/30/16/1253853016.db2.gz IOJJCRJOGNLUEL-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001027418738 1253853034 /nfs/dbraw/zinc/85/30/34/1253853034.db2.gz IOJJCRJOGNLUEL-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001031677332 1253880820 /nfs/dbraw/zinc/88/08/20/1253880820.db2.gz GUKVAVUDWROAMK-NVXWUHKLSA-N 2 2 369.473 0.494 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185300 1253947609 /nfs/dbraw/zinc/94/76/09/1253947609.db2.gz NIVOYBWOVJSMOT-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185300 1253947620 /nfs/dbraw/zinc/94/76/20/1253947620.db2.gz NIVOYBWOVJSMOT-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185300 1253947634 /nfs/dbraw/zinc/94/76/34/1253947634.db2.gz NIVOYBWOVJSMOT-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185300 1253947644 /nfs/dbraw/zinc/94/76/44/1253947644.db2.gz NIVOYBWOVJSMOT-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186684 1253948546 /nfs/dbraw/zinc/94/85/46/1253948546.db2.gz YGZAKHCIJVBIMB-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186684 1253948552 /nfs/dbraw/zinc/94/85/52/1253948552.db2.gz YGZAKHCIJVBIMB-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186684 1253948556 /nfs/dbraw/zinc/94/85/56/1253948556.db2.gz YGZAKHCIJVBIMB-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186684 1253948559 /nfs/dbraw/zinc/94/85/59/1253948559.db2.gz YGZAKHCIJVBIMB-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(-c4c[nH][nH]c4=O)n3C)CC2)CC1 ZINC001519881168 1265790392 /nfs/dbraw/zinc/79/03/92/1265790392.db2.gz DWGCDVDYBQYNDQ-UHFFFAOYSA-N 2 2 374.493 0.907 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(-c4c[nH][nH]c4=O)n3C)CC2)CC1 ZINC001519881168 1265790400 /nfs/dbraw/zinc/79/04/00/1265790400.db2.gz DWGCDVDYBQYNDQ-UHFFFAOYSA-N 2 2 374.493 0.907 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034275364 1253984261 /nfs/dbraw/zinc/98/42/61/1253984261.db2.gz YVRYYZPDFLAOBP-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034275364 1253984267 /nfs/dbraw/zinc/98/42/67/1253984267.db2.gz YVRYYZPDFLAOBP-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275364 1253984270 /nfs/dbraw/zinc/98/42/70/1253984270.db2.gz YVRYYZPDFLAOBP-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275364 1253984277 /nfs/dbraw/zinc/98/42/77/1253984277.db2.gz YVRYYZPDFLAOBP-ZTFGCOKTSA-N 2 2 363.506 0.918 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034666017 1253998114 /nfs/dbraw/zinc/99/81/14/1253998114.db2.gz VTVMEVMRFFQVKL-DHGKCCLASA-N 2 2 359.430 0.335 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034666017 1253998121 /nfs/dbraw/zinc/99/81/21/1253998121.db2.gz VTVMEVMRFFQVKL-DHGKCCLASA-N 2 2 359.430 0.335 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2CCF)O1 ZINC001034971563 1254013470 /nfs/dbraw/zinc/01/34/70/1254013470.db2.gz PZAZBSHYMHQLRH-RBSFLKMASA-N 2 2 368.457 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncnn2CCF)O1 ZINC001034971563 1254013481 /nfs/dbraw/zinc/01/34/81/1254013481.db2.gz PZAZBSHYMHQLRH-RBSFLKMASA-N 2 2 368.457 0.047 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035196234 1254019464 /nfs/dbraw/zinc/01/94/64/1254019464.db2.gz YOQYLWWZCKOHFE-IIAWOOMASA-N 2 2 357.458 0.716 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC2(CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035196234 1254019479 /nfs/dbraw/zinc/01/94/79/1254019479.db2.gz YOQYLWWZCKOHFE-IIAWOOMASA-N 2 2 357.458 0.716 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001061820394 1254225051 /nfs/dbraw/zinc/22/50/51/1254225051.db2.gz PQMMDOMPBUYTKU-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001061820394 1254225056 /nfs/dbraw/zinc/22/50/56/1254225056.db2.gz PQMMDOMPBUYTKU-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001329824342 1265862059 /nfs/dbraw/zinc/86/20/59/1265862059.db2.gz VXGKUDAYNQSZEH-LBPRGKRZSA-N 2 2 359.434 0.539 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001065210481 1254492068 /nfs/dbraw/zinc/49/20/68/1254492068.db2.gz FBJNINJMABOMCV-OWCLPIDISA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001065210481 1254492073 /nfs/dbraw/zinc/49/20/73/1254492073.db2.gz FBJNINJMABOMCV-OWCLPIDISA-N 2 2 363.462 0.026 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065299097 1254508189 /nfs/dbraw/zinc/50/81/89/1254508189.db2.gz ZJQMECRCXJQBDZ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065299097 1254508200 /nfs/dbraw/zinc/50/82/00/1254508200.db2.gz ZJQMECRCXJQBDZ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566857 1254703698 /nfs/dbraw/zinc/70/36/98/1254703698.db2.gz QSCJSQKBVKVFIH-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566857 1254703718 /nfs/dbraw/zinc/70/37/18/1254703718.db2.gz QSCJSQKBVKVFIH-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566857 1254703731 /nfs/dbraw/zinc/70/37/31/1254703731.db2.gz QSCJSQKBVKVFIH-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566857 1254703745 /nfs/dbraw/zinc/70/37/45/1254703745.db2.gz QSCJSQKBVKVFIH-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)n1 ZINC001077685336 1254880484 /nfs/dbraw/zinc/88/04/84/1254880484.db2.gz LMIKNRLSEIKXMD-HUUCEWRRSA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)n1 ZINC001077685336 1254880491 /nfs/dbraw/zinc/88/04/91/1254880491.db2.gz LMIKNRLSEIKXMD-HUUCEWRRSA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC001077685336 1254880500 /nfs/dbraw/zinc/88/05/00/1254880500.db2.gz LMIKNRLSEIKXMD-HUUCEWRRSA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)n1 ZINC001077685336 1254880510 /nfs/dbraw/zinc/88/05/10/1254880510.db2.gz LMIKNRLSEIKXMD-HUUCEWRRSA-N 2 2 365.478 0.204 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077843791 1255042252 /nfs/dbraw/zinc/04/22/52/1255042252.db2.gz IIHVHGPLQBRELL-QZTJIDSGSA-N 2 2 357.458 0.457 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1C ZINC001078007636 1255163113 /nfs/dbraw/zinc/16/31/13/1255163113.db2.gz XAFFNQRFQJPBRY-IAGOWNOFSA-N 2 2 358.442 0.641 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1C ZINC001078007636 1255163118 /nfs/dbraw/zinc/16/31/18/1255163118.db2.gz XAFFNQRFQJPBRY-IAGOWNOFSA-N 2 2 358.442 0.641 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1O ZINC001078009704 1255165301 /nfs/dbraw/zinc/16/53/01/1255165301.db2.gz OOZQCOXWYRGMHJ-QZTJIDSGSA-N 2 2 360.433 0.896 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1O ZINC001078009704 1255165305 /nfs/dbraw/zinc/16/53/05/1255165305.db2.gz OOZQCOXWYRGMHJ-QZTJIDSGSA-N 2 2 360.433 0.896 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175806 1255289503 /nfs/dbraw/zinc/28/95/03/1255289503.db2.gz NOMMHKUMOPFDFG-BHIYHBOVSA-N 2 2 369.469 0.485 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175806 1255289508 /nfs/dbraw/zinc/28/95/08/1255289508.db2.gz NOMMHKUMOPFDFG-BHIYHBOVSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175806 1255289515 /nfs/dbraw/zinc/28/95/15/1255289515.db2.gz NOMMHKUMOPFDFG-BHIYHBOVSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2O)C1 ZINC001078175806 1255289520 /nfs/dbraw/zinc/28/95/20/1255289520.db2.gz NOMMHKUMOPFDFG-BHIYHBOVSA-N 2 2 369.469 0.485 20 0 FCADLP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078179209 1255293071 /nfs/dbraw/zinc/29/30/71/1255293071.db2.gz ZIECBBPBIRLIEN-GUDVDZBRSA-N 2 2 361.486 0.540 20 0 FCADLP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078179209 1255293077 /nfs/dbraw/zinc/29/30/77/1255293077.db2.gz ZIECBBPBIRLIEN-GUDVDZBRSA-N 2 2 361.486 0.540 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1F ZINC001078183443 1255297399 /nfs/dbraw/zinc/29/73/99/1255297399.db2.gz QVJUQVLYVBEWQM-HZPDHXFCSA-N 2 2 362.405 0.701 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1F ZINC001078183443 1255297406 /nfs/dbraw/zinc/29/74/06/1255297406.db2.gz QVJUQVLYVBEWQM-HZPDHXFCSA-N 2 2 362.405 0.701 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001079193877 1255469857 /nfs/dbraw/zinc/46/98/57/1255469857.db2.gz ZKYBYQARQKEDKP-JKSUJKDBSA-N 2 2 359.405 0.482 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079244731 1255484571 /nfs/dbraw/zinc/48/45/71/1255484571.db2.gz BTNYDTRPCLZOCW-DLBZAZTESA-N 2 2 362.474 0.664 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079244731 1255484576 /nfs/dbraw/zinc/48/45/76/1255484576.db2.gz BTNYDTRPCLZOCW-DLBZAZTESA-N 2 2 362.474 0.664 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739975 1255589997 /nfs/dbraw/zinc/58/99/97/1255589997.db2.gz QXRGDTLFWSTXKE-IJEWVQPXSA-N 2 2 361.490 0.675 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001079739975 1255590003 /nfs/dbraw/zinc/59/00/03/1255590003.db2.gz QXRGDTLFWSTXKE-IJEWVQPXSA-N 2 2 361.490 0.675 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805047 1255615148 /nfs/dbraw/zinc/61/51/48/1255615148.db2.gz HITIJSSGMARMTK-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805047 1255615154 /nfs/dbraw/zinc/61/51/54/1255615154.db2.gz HITIJSSGMARMTK-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805047 1255615159 /nfs/dbraw/zinc/61/51/59/1255615159.db2.gz HITIJSSGMARMTK-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079805047 1255615164 /nfs/dbraw/zinc/61/51/64/1255615164.db2.gz HITIJSSGMARMTK-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982862 1255691684 /nfs/dbraw/zinc/69/16/84/1255691684.db2.gz YVZFWBARMXIFIZ-QGPMSJSTSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982862 1255691692 /nfs/dbraw/zinc/69/16/92/1255691692.db2.gz YVZFWBARMXIFIZ-QGPMSJSTSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991644 1255696660 /nfs/dbraw/zinc/69/66/60/1255696660.db2.gz OGFJADVDJJSYEU-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991644 1255696666 /nfs/dbraw/zinc/69/66/66/1255696666.db2.gz OGFJADVDJJSYEU-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991740 1255697306 /nfs/dbraw/zinc/69/73/06/1255697306.db2.gz QJFVWZNIXOKTFB-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991740 1255697312 /nfs/dbraw/zinc/69/73/12/1255697312.db2.gz QJFVWZNIXOKTFB-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080139263 1255757138 /nfs/dbraw/zinc/75/71/38/1255757138.db2.gz UGIORWSWOKKNFC-XYPHTWIQSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080139263 1255757142 /nfs/dbraw/zinc/75/71/42/1255757142.db2.gz UGIORWSWOKKNFC-XYPHTWIQSA-N 2 2 359.474 0.781 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318185 1255838852 /nfs/dbraw/zinc/83/88/52/1255838852.db2.gz JDCUAJQLDSDPMQ-DJIMGWMZSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318185 1255838860 /nfs/dbraw/zinc/83/88/60/1255838860.db2.gz JDCUAJQLDSDPMQ-DJIMGWMZSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318185 1255838872 /nfs/dbraw/zinc/83/88/72/1255838872.db2.gz JDCUAJQLDSDPMQ-DJIMGWMZSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)C1 ZINC001080318185 1255838882 /nfs/dbraw/zinc/83/88/82/1255838882.db2.gz JDCUAJQLDSDPMQ-DJIMGWMZSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449055 1255894835 /nfs/dbraw/zinc/89/48/35/1255894835.db2.gz GEUHIJWSROENCR-DDUZABMNSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449055 1255894845 /nfs/dbraw/zinc/89/48/45/1255894845.db2.gz GEUHIJWSROENCR-DDUZABMNSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080449055 1255894851 /nfs/dbraw/zinc/89/48/51/1255894851.db2.gz GEUHIJWSROENCR-DDUZABMNSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080449055 1255894857 /nfs/dbraw/zinc/89/48/57/1255894857.db2.gz GEUHIJWSROENCR-DDUZABMNSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783121 1256036947 /nfs/dbraw/zinc/03/69/47/1256036947.db2.gz LMVQQJJERSCNOH-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783121 1256036952 /nfs/dbraw/zinc/03/69/52/1256036952.db2.gz LMVQQJJERSCNOH-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081111180 1256180955 /nfs/dbraw/zinc/18/09/55/1256180955.db2.gz JQCLDVIGGZKCCK-GVDBMIGSSA-N 2 2 367.453 0.815 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1)C(N)=O ZINC001081213491 1256207779 /nfs/dbraw/zinc/20/77/79/1256207779.db2.gz AIEAXLOAUBABOL-OKZBNKHCSA-N 2 2 369.469 0.811 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481469 1256270493 /nfs/dbraw/zinc/27/04/93/1256270493.db2.gz JMKQLSGWXAYIGZ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481469 1256270495 /nfs/dbraw/zinc/27/04/95/1256270495.db2.gz JMKQLSGWXAYIGZ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481469 1256270498 /nfs/dbraw/zinc/27/04/98/1256270498.db2.gz JMKQLSGWXAYIGZ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481469 1256270501 /nfs/dbraw/zinc/27/05/01/1256270501.db2.gz JMKQLSGWXAYIGZ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481289 1256270607 /nfs/dbraw/zinc/27/06/07/1256270607.db2.gz CVGFXNPWXYBLKR-KZNAEPCWSA-N 2 2 365.449 0.780 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481289 1256270610 /nfs/dbraw/zinc/27/06/10/1256270610.db2.gz CVGFXNPWXYBLKR-KZNAEPCWSA-N 2 2 365.449 0.780 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481289 1256270613 /nfs/dbraw/zinc/27/06/13/1256270613.db2.gz CVGFXNPWXYBLKR-KZNAEPCWSA-N 2 2 365.449 0.780 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481289 1256270615 /nfs/dbraw/zinc/27/06/15/1256270615.db2.gz CVGFXNPWXYBLKR-KZNAEPCWSA-N 2 2 365.449 0.780 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799195 1256378176 /nfs/dbraw/zinc/37/81/76/1256378176.db2.gz HCNCUFBUULDUSY-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799195 1256378181 /nfs/dbraw/zinc/37/81/81/1256378181.db2.gz HCNCUFBUULDUSY-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799195 1256378185 /nfs/dbraw/zinc/37/81/85/1256378185.db2.gz HCNCUFBUULDUSY-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799195 1256378192 /nfs/dbraw/zinc/37/81/92/1256378192.db2.gz HCNCUFBUULDUSY-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081854325 1256412529 /nfs/dbraw/zinc/41/25/29/1256412529.db2.gz CHGNJHAZUBFOJF-HZPDHXFCSA-N 2 2 355.402 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081854325 1256412532 /nfs/dbraw/zinc/41/25/32/1256412532.db2.gz CHGNJHAZUBFOJF-HZPDHXFCSA-N 2 2 355.402 0.284 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001081871080 1256422789 /nfs/dbraw/zinc/42/27/89/1256422789.db2.gz XGVSSCFUJKAQAE-GVDBMIGSSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001081871080 1256422791 /nfs/dbraw/zinc/42/27/91/1256422791.db2.gz XGVSSCFUJKAQAE-GVDBMIGSSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081879886 1256427281 /nfs/dbraw/zinc/42/72/81/1256427281.db2.gz DIRWPLWHRVCDGI-KBRIMQKVSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081879886 1256427284 /nfs/dbraw/zinc/42/72/84/1256427284.db2.gz DIRWPLWHRVCDGI-KBRIMQKVSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001081883416 1256429113 /nfs/dbraw/zinc/42/91/13/1256429113.db2.gz HBUNJTNVLPMSLF-FGTMMUONSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001081883416 1256429115 /nfs/dbraw/zinc/42/91/15/1256429115.db2.gz HBUNJTNVLPMSLF-FGTMMUONSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001081883416 1256429118 /nfs/dbraw/zinc/42/91/18/1256429118.db2.gz HBUNJTNVLPMSLF-FGTMMUONSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001081883416 1256429124 /nfs/dbraw/zinc/42/91/24/1256429124.db2.gz HBUNJTNVLPMSLF-FGTMMUONSA-N 2 2 363.506 0.856 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001330502002 1266043185 /nfs/dbraw/zinc/04/31/85/1266043185.db2.gz MHSNONAOKQEGHO-ARFHVFGLSA-N 2 2 362.474 0.455 20 0 FCADLP COC[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001330502002 1266043196 /nfs/dbraw/zinc/04/31/96/1266043196.db2.gz MHSNONAOKQEGHO-ARFHVFGLSA-N 2 2 362.474 0.455 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053022 1256513051 /nfs/dbraw/zinc/51/30/51/1256513051.db2.gz UFQKJSISFMPXNY-RCCFBDPRSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053022 1256513056 /nfs/dbraw/zinc/51/30/56/1256513056.db2.gz UFQKJSISFMPXNY-RCCFBDPRSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053022 1256513059 /nfs/dbraw/zinc/51/30/59/1256513059.db2.gz UFQKJSISFMPXNY-RCCFBDPRSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053022 1256513064 /nfs/dbraw/zinc/51/30/64/1256513064.db2.gz UFQKJSISFMPXNY-RCCFBDPRSA-N 2 2 363.506 0.858 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082063977 1256518218 /nfs/dbraw/zinc/51/82/18/1256518218.db2.gz NELAYNLLVYWZLY-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082063977 1256518220 /nfs/dbraw/zinc/51/82/20/1256518220.db2.gz NELAYNLLVYWZLY-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082063977 1256518223 /nfs/dbraw/zinc/51/82/23/1256518223.db2.gz NELAYNLLVYWZLY-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082063977 1256518225 /nfs/dbraw/zinc/51/82/25/1256518225.db2.gz NELAYNLLVYWZLY-KURKYZTESA-N 2 2 362.474 0.506 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241587 1256604808 /nfs/dbraw/zinc/60/48/08/1256604808.db2.gz YWACOCMPYAUACJ-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241587 1256604812 /nfs/dbraw/zinc/60/48/12/1256604812.db2.gz YWACOCMPYAUACJ-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271461 1256622470 /nfs/dbraw/zinc/62/24/70/1256622470.db2.gz BGZDRJPHPUTAJT-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271461 1256622479 /nfs/dbraw/zinc/62/24/79/1256622479.db2.gz BGZDRJPHPUTAJT-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001520987215 1266056707 /nfs/dbraw/zinc/05/67/07/1266056707.db2.gz SCIVBPMOWOYYKJ-CQSZACIVSA-N 2 2 363.462 0.366 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001520987215 1266056716 /nfs/dbraw/zinc/05/67/16/1266056716.db2.gz SCIVBPMOWOYYKJ-CQSZACIVSA-N 2 2 363.462 0.366 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369341 1256717954 /nfs/dbraw/zinc/71/79/54/1256717954.db2.gz JDLIUQIHZFMJAY-ZTFGCOKTSA-N 2 2 365.449 0.585 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369341 1256717957 /nfs/dbraw/zinc/71/79/57/1256717957.db2.gz JDLIUQIHZFMJAY-ZTFGCOKTSA-N 2 2 365.449 0.585 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369341 1256717961 /nfs/dbraw/zinc/71/79/61/1256717961.db2.gz JDLIUQIHZFMJAY-ZTFGCOKTSA-N 2 2 365.449 0.585 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369341 1256717968 /nfs/dbraw/zinc/71/79/68/1256717968.db2.gz JDLIUQIHZFMJAY-ZTFGCOKTSA-N 2 2 365.449 0.585 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369138 1256718123 /nfs/dbraw/zinc/71/81/23/1256718123.db2.gz ZWILMYZFJFMCSE-MRVWCRGKSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369138 1256718126 /nfs/dbraw/zinc/71/81/26/1256718126.db2.gz ZWILMYZFJFMCSE-MRVWCRGKSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369138 1256718129 /nfs/dbraw/zinc/71/81/29/1256718129.db2.gz ZWILMYZFJFMCSE-MRVWCRGKSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369138 1256718131 /nfs/dbraw/zinc/71/81/31/1256718131.db2.gz ZWILMYZFJFMCSE-MRVWCRGKSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394998 1256744377 /nfs/dbraw/zinc/74/43/77/1256744377.db2.gz QJYBWLGROQBEQF-QZTJIDSGSA-N 2 2 356.426 0.929 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394998 1256744382 /nfs/dbraw/zinc/74/43/82/1256744382.db2.gz QJYBWLGROQBEQF-QZTJIDSGSA-N 2 2 356.426 0.929 20 0 FCADLP CO[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395319 1256744592 /nfs/dbraw/zinc/74/45/92/1256744592.db2.gz QBVZLEWETNXKQB-IAGOWNOFSA-N 2 2 362.405 0.917 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395319 1256744595 /nfs/dbraw/zinc/74/45/95/1256744595.db2.gz QBVZLEWETNXKQB-IAGOWNOFSA-N 2 2 362.405 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082549456 1256841361 /nfs/dbraw/zinc/84/13/61/1256841361.db2.gz AIASUVRVMLNBFP-IUODEOHRSA-N 2 2 369.429 0.315 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082549456 1256841372 /nfs/dbraw/zinc/84/13/72/1256841372.db2.gz AIASUVRVMLNBFP-IUODEOHRSA-N 2 2 369.429 0.315 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558005 1256853580 /nfs/dbraw/zinc/85/35/80/1256853580.db2.gz UUXHTIYWKNYGJN-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001082558275 1256855141 /nfs/dbraw/zinc/85/51/41/1256855141.db2.gz IKOSBOOMMKRKRI-DJIMGWMZSA-N 2 2 359.478 0.184 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)co1 ZINC001082558791 1256856182 /nfs/dbraw/zinc/85/61/82/1256856182.db2.gz GROWFSYJLVSPPA-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082575193 1256884415 /nfs/dbraw/zinc/88/44/15/1256884415.db2.gz QEPKHWIWMDGRFU-CPUCHLNUSA-N 2 2 367.494 0.781 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1C ZINC001082590341 1256903186 /nfs/dbraw/zinc/90/31/86/1256903186.db2.gz QPXQPOHFFWZOPD-KBUPBQIOSA-N 2 2 364.494 0.033 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1C ZINC001082590341 1256903191 /nfs/dbraw/zinc/90/31/91/1256903191.db2.gz QPXQPOHFFWZOPD-KBUPBQIOSA-N 2 2 364.494 0.033 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)nn1 ZINC001082604503 1256916460 /nfs/dbraw/zinc/91/64/60/1256916460.db2.gz RTNZOJOGBVZMOA-JKIFEVAISA-N 2 2 370.457 0.881 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)nn1 ZINC001082608893 1256919053 /nfs/dbraw/zinc/91/90/53/1256919053.db2.gz FMEDDGRLRJPMSA-MLGOLLRUSA-N 2 2 361.450 0.598 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C)c1nnnn1C ZINC001082620550 1256930697 /nfs/dbraw/zinc/93/06/97/1256930697.db2.gz CGJPAVHFKDWTPX-TYNCELHUSA-N 2 2 354.418 0.669 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001082646295 1256951372 /nfs/dbraw/zinc/95/13/72/1256951372.db2.gz KFLSKBNWWXDANV-MRVWCRGKSA-N 2 2 362.434 0.919 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C(C)(C)C)C1 ZINC001082646202 1256951441 /nfs/dbraw/zinc/95/14/41/1256951441.db2.gz CILMBFAWALOZHY-TZMCWYRMSA-N 2 2 360.466 0.570 20 0 FCADLP CCCCn1nnnc1C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001082646667 1256952764 /nfs/dbraw/zinc/95/27/64/1256952764.db2.gz LEPFPKMCOMNRQK-UKRRQHHQSA-N 2 2 360.466 0.615 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001082662868 1256965339 /nfs/dbraw/zinc/96/53/39/1256965339.db2.gz GRYAIXXGENUICS-RHSMWYFYSA-N 2 2 371.489 0.565 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082664143 1256966380 /nfs/dbraw/zinc/96/63/80/1256966380.db2.gz XLVYZSGMSDVDBV-ZACQAIPSSA-N 2 2 364.494 0.216 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001082664143 1256966384 /nfs/dbraw/zinc/96/63/84/1256966384.db2.gz XLVYZSGMSDVDBV-ZACQAIPSSA-N 2 2 364.494 0.216 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082733763 1257014565 /nfs/dbraw/zinc/01/45/65/1257014565.db2.gz RVDVMFHDBOAFCV-VNHYZAJKSA-N 2 2 360.462 0.291 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C)n1 ZINC001082795701 1257057046 /nfs/dbraw/zinc/05/70/46/1257057046.db2.gz DHVRWXUFQIPZIL-OGHNNQOOSA-N 2 2 359.478 0.933 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001082795701 1257057051 /nfs/dbraw/zinc/05/70/51/1257057051.db2.gz DHVRWXUFQIPZIL-OGHNNQOOSA-N 2 2 359.478 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082838824 1257096088 /nfs/dbraw/zinc/09/60/88/1257096088.db2.gz UHKFVDUXLFCDCV-CXAGYDPISA-N 2 2 366.429 0.646 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1C1CC1 ZINC001082861120 1257112607 /nfs/dbraw/zinc/11/26/07/1257112607.db2.gz IHJUTOFVOKJGOO-MLGOLLRUSA-N 2 2 357.462 0.834 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082892781 1257129057 /nfs/dbraw/zinc/12/90/57/1257129057.db2.gz UYLOBIJSDHVSAU-FVQBIDKESA-N 2 2 357.462 0.568 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)C1 ZINC001082934123 1257154974 /nfs/dbraw/zinc/15/49/74/1257154974.db2.gz ZXADVYMIZJDXJR-OAGGEKHMSA-N 2 2 364.494 0.516 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C(C)C)C2)C1 ZINC001082934123 1257154980 /nfs/dbraw/zinc/15/49/80/1257154980.db2.gz ZXADVYMIZJDXJR-OAGGEKHMSA-N 2 2 364.494 0.516 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035093 1257228178 /nfs/dbraw/zinc/22/81/78/1257228178.db2.gz DPHBWLRTXAGJNN-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035093 1257228182 /nfs/dbraw/zinc/22/81/82/1257228182.db2.gz DPHBWLRTXAGJNN-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035093 1257228185 /nfs/dbraw/zinc/22/81/85/1257228185.db2.gz DPHBWLRTXAGJNN-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035093 1257228188 /nfs/dbraw/zinc/22/81/88/1257228188.db2.gz DPHBWLRTXAGJNN-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084819 1257285513 /nfs/dbraw/zinc/28/55/13/1257285513.db2.gz IFOYQZBYKZPOMS-HYVNUMGLSA-N 2 2 367.469 0.718 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084819 1257285518 /nfs/dbraw/zinc/28/55/18/1257285518.db2.gz IFOYQZBYKZPOMS-HYVNUMGLSA-N 2 2 367.469 0.718 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4nccnc4C)C[C@@H]32)CC[N@@H+]1C ZINC001083087331 1257287789 /nfs/dbraw/zinc/28/77/89/1257287789.db2.gz CPTYDMRVJOTYPA-WZGPROSRSA-N 2 2 373.501 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4nccnc4C)C[C@@H]32)CC[N@H+]1C ZINC001083087331 1257287793 /nfs/dbraw/zinc/28/77/93/1257287793.db2.gz CPTYDMRVJOTYPA-WZGPROSRSA-N 2 2 373.501 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4nccnc4C)C[C@@H]32)CC[NH+]1C ZINC001083087331 1257287799 /nfs/dbraw/zinc/28/77/99/1257287799.db2.gz CPTYDMRVJOTYPA-WZGPROSRSA-N 2 2 373.501 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4nccnc4C)C[C@@H]32)CC[NH+]1C ZINC001083087331 1257287805 /nfs/dbraw/zinc/28/78/05/1257287805.db2.gz CPTYDMRVJOTYPA-WZGPROSRSA-N 2 2 373.501 0.927 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110438 1257332912 /nfs/dbraw/zinc/33/29/12/1257332912.db2.gz DJHJSMRJOSDQEC-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110438 1257332920 /nfs/dbraw/zinc/33/29/20/1257332920.db2.gz DJHJSMRJOSDQEC-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110438 1257332926 /nfs/dbraw/zinc/33/29/26/1257332926.db2.gz DJHJSMRJOSDQEC-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110438 1257332933 /nfs/dbraw/zinc/33/29/33/1257332933.db2.gz DJHJSMRJOSDQEC-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC[C@@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083110843 1257334790 /nfs/dbraw/zinc/33/47/90/1257334790.db2.gz XIPNICBYWDZTBI-OKZBNKHCSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CC[C@@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083110843 1257334800 /nfs/dbraw/zinc/33/48/00/1257334800.db2.gz XIPNICBYWDZTBI-OKZBNKHCSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3OCCN(C(=O)CC[C@@H]4CCC[N@@H+]4C)[C@H]3C2)cn1 ZINC001083110843 1257334809 /nfs/dbraw/zinc/33/48/09/1257334809.db2.gz XIPNICBYWDZTBI-OKZBNKHCSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3OCCN(C(=O)CC[C@@H]4CCC[N@H+]4C)[C@H]3C2)cn1 ZINC001083110843 1257334818 /nfs/dbraw/zinc/33/48/18/1257334818.db2.gz XIPNICBYWDZTBI-OKZBNKHCSA-N 2 2 361.490 0.706 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172921 1257432688 /nfs/dbraw/zinc/43/26/88/1257432688.db2.gz JFDGXUAXNVLJPF-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172921 1257432691 /nfs/dbraw/zinc/43/26/91/1257432691.db2.gz JFDGXUAXNVLJPF-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172921 1257432695 /nfs/dbraw/zinc/43/26/95/1257432695.db2.gz JFDGXUAXNVLJPF-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172921 1257432698 /nfs/dbraw/zinc/43/26/98/1257432698.db2.gz JFDGXUAXNVLJPF-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083645089 1257462175 /nfs/dbraw/zinc/46/21/75/1257462175.db2.gz KNNKMDVUTWBYBW-MOPGFXCFSA-N 2 2 370.453 0.626 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083645089 1257462180 /nfs/dbraw/zinc/46/21/80/1257462180.db2.gz KNNKMDVUTWBYBW-MOPGFXCFSA-N 2 2 370.453 0.626 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@@H]1O)CC2 ZINC001083731548 1257467522 /nfs/dbraw/zinc/46/75/22/1257467522.db2.gz DJNSPFURRFXGCN-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@@H]1O)CC2 ZINC001083731548 1257467525 /nfs/dbraw/zinc/46/75/25/1257467525.db2.gz DJNSPFURRFXGCN-LZQZEXGQSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@@H]1O)CC2 ZINC001083731945 1257469307 /nfs/dbraw/zinc/46/93/07/1257469307.db2.gz VQXWGGQBFTYZNU-OLMNPRSZSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@@H]1O)CC2 ZINC001083731945 1257469310 /nfs/dbraw/zinc/46/93/10/1257469310.db2.gz VQXWGGQBFTYZNU-OLMNPRSZSA-N 2 2 362.474 0.484 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)cn1 ZINC001083733409 1257470445 /nfs/dbraw/zinc/47/04/45/1257470445.db2.gz MWPGCZXKYMIOOZ-CVEARBPZSA-N 2 2 361.446 0.092 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)cn1 ZINC001083733409 1257470447 /nfs/dbraw/zinc/47/04/47/1257470447.db2.gz MWPGCZXKYMIOOZ-CVEARBPZSA-N 2 2 361.446 0.092 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777922 1257516976 /nfs/dbraw/zinc/51/69/76/1257516976.db2.gz SZQBAFYMCMGSKR-GLJUWKHASA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777922 1257516982 /nfs/dbraw/zinc/51/69/82/1257516982.db2.gz SZQBAFYMCMGSKR-GLJUWKHASA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777922 1257516984 /nfs/dbraw/zinc/51/69/84/1257516984.db2.gz SZQBAFYMCMGSKR-GLJUWKHASA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777922 1257516986 /nfs/dbraw/zinc/51/69/86/1257516986.db2.gz SZQBAFYMCMGSKR-GLJUWKHASA-N 2 2 368.453 0.857 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779707 1257522020 /nfs/dbraw/zinc/52/20/20/1257522020.db2.gz PUBNVRCNCXQMEA-OIISXLGYSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779707 1257522027 /nfs/dbraw/zinc/52/20/27/1257522027.db2.gz PUBNVRCNCXQMEA-OIISXLGYSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779707 1257522028 /nfs/dbraw/zinc/52/20/28/1257522028.db2.gz PUBNVRCNCXQMEA-OIISXLGYSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779707 1257522033 /nfs/dbraw/zinc/52/20/33/1257522033.db2.gz PUBNVRCNCXQMEA-OIISXLGYSA-N 2 2 365.449 0.850 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@@H]1O)C2 ZINC001083781084 1257524570 /nfs/dbraw/zinc/52/45/70/1257524570.db2.gz UFOZBKFUFBRXRX-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@@H]1O)C2 ZINC001083781084 1257524573 /nfs/dbraw/zinc/52/45/73/1257524573.db2.gz UFOZBKFUFBRXRX-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781473 1257525232 /nfs/dbraw/zinc/52/52/32/1257525232.db2.gz IYTJVNCARZWRAG-VUCTXSBTSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781473 1257525237 /nfs/dbraw/zinc/52/52/37/1257525237.db2.gz IYTJVNCARZWRAG-VUCTXSBTSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781473 1257525240 /nfs/dbraw/zinc/52/52/40/1257525240.db2.gz IYTJVNCARZWRAG-VUCTXSBTSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781473 1257525245 /nfs/dbraw/zinc/52/52/45/1257525245.db2.gz IYTJVNCARZWRAG-VUCTXSBTSA-N 2 2 359.430 0.226 20 0 FCADLP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001521482239 1266126118 /nfs/dbraw/zinc/12/61/18/1266126118.db2.gz JCYXCRHBTRFZCH-ICSRJNTNSA-N 2 2 361.486 0.551 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896120 1257670475 /nfs/dbraw/zinc/67/04/75/1257670475.db2.gz WIFSNDBTWDUIEC-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896120 1257670482 /nfs/dbraw/zinc/67/04/82/1257670482.db2.gz WIFSNDBTWDUIEC-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915392 1257698012 /nfs/dbraw/zinc/69/80/12/1257698012.db2.gz PBPNIYQWRZXEJW-XKQJLSEDSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915392 1257698017 /nfs/dbraw/zinc/69/80/17/1257698017.db2.gz PBPNIYQWRZXEJW-XKQJLSEDSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936940 1257721609 /nfs/dbraw/zinc/72/16/09/1257721609.db2.gz DESOJNXIIVTZNW-MOPGFXCFSA-N 2 2 358.486 0.865 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083936940 1257721615 /nfs/dbraw/zinc/72/16/15/1257721615.db2.gz DESOJNXIIVTZNW-MOPGFXCFSA-N 2 2 358.486 0.865 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083955056 1257743718 /nfs/dbraw/zinc/74/37/18/1257743718.db2.gz VBKOPWJTPZPVGB-MSOLQXFVSA-N 2 2 365.437 0.872 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083955056 1257743720 /nfs/dbraw/zinc/74/37/20/1257743720.db2.gz VBKOPWJTPZPVGB-MSOLQXFVSA-N 2 2 365.437 0.872 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954821 1257744444 /nfs/dbraw/zinc/74/44/44/1257744444.db2.gz KLHSYFDHXUUHDI-OIISXLGYSA-N 2 2 363.506 0.641 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954821 1257744449 /nfs/dbraw/zinc/74/44/49/1257744449.db2.gz KLHSYFDHXUUHDI-OIISXLGYSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954821 1257744453 /nfs/dbraw/zinc/74/44/53/1257744453.db2.gz KLHSYFDHXUUHDI-OIISXLGYSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954821 1257744455 /nfs/dbraw/zinc/74/44/55/1257744455.db2.gz KLHSYFDHXUUHDI-OIISXLGYSA-N 2 2 363.506 0.641 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083998633 1257786218 /nfs/dbraw/zinc/78/62/18/1257786218.db2.gz HAIRKMDZTZIAFN-AEFFLSMTSA-N 2 2 357.458 0.688 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001083998633 1257786224 /nfs/dbraw/zinc/78/62/24/1257786224.db2.gz HAIRKMDZTZIAFN-AEFFLSMTSA-N 2 2 357.458 0.688 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001084059641 1257874798 /nfs/dbraw/zinc/87/47/98/1257874798.db2.gz RBRKICKXCVMIJG-MOPGFXCFSA-N 2 2 370.453 0.626 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001084059641 1257874813 /nfs/dbraw/zinc/87/48/13/1257874813.db2.gz RBRKICKXCVMIJG-MOPGFXCFSA-N 2 2 370.453 0.626 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090898 1257915273 /nfs/dbraw/zinc/91/52/73/1257915273.db2.gz NNQNKCDEGODQQN-MOPGFXCFSA-N 2 2 371.485 0.765 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090898 1257915276 /nfs/dbraw/zinc/91/52/76/1257915276.db2.gz NNQNKCDEGODQQN-MOPGFXCFSA-N 2 2 371.485 0.765 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231694 1257978445 /nfs/dbraw/zinc/97/84/45/1257978445.db2.gz IYZROOKVJVUCAC-VNQPRFMTSA-N 2 2 370.457 0.150 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231694 1257978449 /nfs/dbraw/zinc/97/84/49/1257978449.db2.gz IYZROOKVJVUCAC-VNQPRFMTSA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231694 1257978458 /nfs/dbraw/zinc/97/84/58/1257978458.db2.gz IYZROOKVJVUCAC-VNQPRFMTSA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084231694 1257978465 /nfs/dbraw/zinc/97/84/65/1257978465.db2.gz IYZROOKVJVUCAC-VNQPRFMTSA-N 2 2 370.457 0.150 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251320 1257988344 /nfs/dbraw/zinc/98/83/44/1257988344.db2.gz JOOYFWBCFBWMHH-QRVBRYPASA-N 2 2 359.470 0.542 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251320 1257988348 /nfs/dbraw/zinc/98/83/48/1257988348.db2.gz JOOYFWBCFBWMHH-QRVBRYPASA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251320 1257988354 /nfs/dbraw/zinc/98/83/54/1257988354.db2.gz JOOYFWBCFBWMHH-QRVBRYPASA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251320 1257988355 /nfs/dbraw/zinc/98/83/55/1257988355.db2.gz JOOYFWBCFBWMHH-QRVBRYPASA-N 2 2 359.470 0.542 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403371 1258081659 /nfs/dbraw/zinc/08/16/59/1258081659.db2.gz RDIHSHRDEYSWDL-JFIYKMOQSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403371 1258081667 /nfs/dbraw/zinc/08/16/67/1258081667.db2.gz RDIHSHRDEYSWDL-JFIYKMOQSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403371 1258081672 /nfs/dbraw/zinc/08/16/72/1258081672.db2.gz RDIHSHRDEYSWDL-JFIYKMOQSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403371 1258081680 /nfs/dbraw/zinc/08/16/80/1258081680.db2.gz RDIHSHRDEYSWDL-JFIYKMOQSA-N 2 2 360.506 0.826 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084671289 1258236590 /nfs/dbraw/zinc/23/65/90/1258236590.db2.gz KUJWXQPRMREKNC-KCYZZUKISA-N 2 2 355.446 0.348 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084671289 1258236593 /nfs/dbraw/zinc/23/65/93/1258236593.db2.gz KUJWXQPRMREKNC-KCYZZUKISA-N 2 2 355.446 0.348 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084700599 1258251208 /nfs/dbraw/zinc/25/12/08/1258251208.db2.gz PLCOFZOSBGARIO-BZUAXINKSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084700599 1258251212 /nfs/dbraw/zinc/25/12/12/1258251212.db2.gz PLCOFZOSBGARIO-BZUAXINKSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776432 1258317559 /nfs/dbraw/zinc/31/75/59/1258317559.db2.gz ZKIJUXHIUDYPOB-ZIAGYGMSSA-N 2 2 360.462 0.245 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776432 1258317567 /nfs/dbraw/zinc/31/75/67/1258317567.db2.gz ZKIJUXHIUDYPOB-ZIAGYGMSSA-N 2 2 360.462 0.245 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001084805605 1258347154 /nfs/dbraw/zinc/34/71/54/1258347154.db2.gz XBDQANQUOBVIJU-CRAIPNDOSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001084805605 1258347163 /nfs/dbraw/zinc/34/71/63/1258347163.db2.gz XBDQANQUOBVIJU-CRAIPNDOSA-N 2 2 356.474 0.862 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829857 1258376476 /nfs/dbraw/zinc/37/64/76/1258376476.db2.gz BDEVFTKKPPATKM-HLLBOEOZSA-N 2 2 359.474 0.778 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829857 1258376482 /nfs/dbraw/zinc/37/64/82/1258376482.db2.gz BDEVFTKKPPATKM-HLLBOEOZSA-N 2 2 359.474 0.778 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829857 1258376488 /nfs/dbraw/zinc/37/64/88/1258376488.db2.gz BDEVFTKKPPATKM-HLLBOEOZSA-N 2 2 359.474 0.778 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)c(C)n1 ZINC001084829857 1258376496 /nfs/dbraw/zinc/37/64/96/1258376496.db2.gz BDEVFTKKPPATKM-HLLBOEOZSA-N 2 2 359.474 0.778 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001084831193 1258377404 /nfs/dbraw/zinc/37/74/04/1258377404.db2.gz CDZPIDUVPQHSMR-RCCFBDPRSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001084831193 1258377408 /nfs/dbraw/zinc/37/74/08/1258377408.db2.gz CDZPIDUVPQHSMR-RCCFBDPRSA-N 2 2 362.518 0.873 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001084833090 1258379025 /nfs/dbraw/zinc/37/90/25/1258379025.db2.gz OHQOSTJAKVISAL-NVXWUHKLSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001084833090 1258379029 /nfs/dbraw/zinc/37/90/29/1258379029.db2.gz OHQOSTJAKVISAL-NVXWUHKLSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084832867 1258379417 /nfs/dbraw/zinc/37/94/17/1258379417.db2.gz BZZLQJNRNLJKKB-BPQIPLTHSA-N 2 2 371.485 0.878 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084832867 1258379426 /nfs/dbraw/zinc/37/94/26/1258379426.db2.gz BZZLQJNRNLJKKB-BPQIPLTHSA-N 2 2 371.485 0.878 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(F)cn4)[C@H]3C2)C1 ZINC001084910758 1258433561 /nfs/dbraw/zinc/43/35/61/1258433561.db2.gz ADGWHTCOQWSQFJ-FHLIZLRMSA-N 2 2 362.449 0.974 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(F)cn4)[C@H]3C2)C1 ZINC001084910758 1258433564 /nfs/dbraw/zinc/43/35/64/1258433564.db2.gz ADGWHTCOQWSQFJ-FHLIZLRMSA-N 2 2 362.449 0.974 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(F)cn4)[C@H]3C2)C1 ZINC001084910758 1258433567 /nfs/dbraw/zinc/43/35/67/1258433567.db2.gz ADGWHTCOQWSQFJ-FHLIZLRMSA-N 2 2 362.449 0.974 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(F)cn4)[C@H]3C2)C1 ZINC001084910758 1258433570 /nfs/dbraw/zinc/43/35/70/1258433570.db2.gz ADGWHTCOQWSQFJ-FHLIZLRMSA-N 2 2 362.449 0.974 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]32)nn1 ZINC001084941519 1258454792 /nfs/dbraw/zinc/45/47/92/1258454792.db2.gz NOSSKXNRTXNIAM-NJAFHUGGSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]32)nn1 ZINC001084941519 1258454794 /nfs/dbraw/zinc/45/47/94/1258454794.db2.gz NOSSKXNRTXNIAM-NJAFHUGGSA-N 2 2 358.490 0.580 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001084946316 1258457399 /nfs/dbraw/zinc/45/73/99/1258457399.db2.gz ZHBSBQGNIGPKDN-ZBFHGGJFSA-N 2 2 359.474 0.431 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001084946316 1258457404 /nfs/dbraw/zinc/45/74/04/1258457404.db2.gz ZHBSBQGNIGPKDN-ZBFHGGJFSA-N 2 2 359.474 0.431 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)[C@H]2C1)[NH+](C)C ZINC001084970418 1258482244 /nfs/dbraw/zinc/48/22/44/1258482244.db2.gz FBPOTMJJUUJJQL-KFWWJZLASA-N 2 2 364.494 0.899 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)[C@H]2C1)[NH+](C)C ZINC001084970418 1258482248 /nfs/dbraw/zinc/48/22/48/1258482248.db2.gz FBPOTMJJUUJJQL-KFWWJZLASA-N 2 2 364.494 0.899 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccnn4C)[C@H]3C2)O1 ZINC001084970011 1258483200 /nfs/dbraw/zinc/48/32/00/1258483200.db2.gz JRMGFQVMGAENQL-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccnn4C)[C@H]3C2)O1 ZINC001084970011 1258483212 /nfs/dbraw/zinc/48/32/12/1258483212.db2.gz JRMGFQVMGAENQL-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccnn4C)[C@H]3C2)O1 ZINC001084970011 1258483217 /nfs/dbraw/zinc/48/32/17/1258483217.db2.gz JRMGFQVMGAENQL-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccnn4C)[C@H]3C2)O1 ZINC001084970011 1258483219 /nfs/dbraw/zinc/48/32/19/1258483219.db2.gz JRMGFQVMGAENQL-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001085075341 1258570744 /nfs/dbraw/zinc/57/07/44/1258570744.db2.gz BOQALHHWENBRCG-WBVHZDCISA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001085075341 1258570751 /nfs/dbraw/zinc/57/07/51/1258570751.db2.gz BOQALHHWENBRCG-WBVHZDCISA-N 2 2 359.474 0.508 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001085075988 1258572515 /nfs/dbraw/zinc/57/25/15/1258572515.db2.gz AXPWCYBIWSEBPN-QAPCUYQASA-N 2 2 371.485 0.916 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001085075988 1258572527 /nfs/dbraw/zinc/57/25/27/1258572527.db2.gz AXPWCYBIWSEBPN-QAPCUYQASA-N 2 2 371.485 0.916 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@H]2C1 ZINC001085106153 1258598395 /nfs/dbraw/zinc/59/83/95/1258598395.db2.gz WPKXJPXFFBHVDB-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCCN3CCCC3=O)[C@H]2C1 ZINC001085106153 1258598402 /nfs/dbraw/zinc/59/84/02/1258598402.db2.gz WPKXJPXFFBHVDB-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP COc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159299 1258611177 /nfs/dbraw/zinc/61/11/77/1258611177.db2.gz OMYFQTTXCZLDMS-ZACQAIPSSA-N 2 2 362.474 0.938 20 0 FCADLP COc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159299 1258611184 /nfs/dbraw/zinc/61/11/84/1258611184.db2.gz OMYFQTTXCZLDMS-ZACQAIPSSA-N 2 2 362.474 0.938 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001085159244 1258612241 /nfs/dbraw/zinc/61/22/41/1258612241.db2.gz MLMLCUJOKMVUJN-KURKYZTESA-N 2 2 361.490 0.677 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001085159244 1258612247 /nfs/dbraw/zinc/61/22/47/1258612247.db2.gz MLMLCUJOKMVUJN-KURKYZTESA-N 2 2 361.490 0.677 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085159485 1258614050 /nfs/dbraw/zinc/61/40/50/1258614050.db2.gz WMFOOOBLLZDYRR-RBSFLKMASA-N 2 2 368.457 0.095 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085159485 1258614052 /nfs/dbraw/zinc/61/40/52/1258614052.db2.gz WMFOOOBLLZDYRR-RBSFLKMASA-N 2 2 368.457 0.095 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)[nH]1 ZINC001086736248 1258633191 /nfs/dbraw/zinc/63/31/91/1258633191.db2.gz IVDXRCBFEFKYQD-RRFJBIMHSA-N 2 2 357.462 0.947 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001087519559 1258638868 /nfs/dbraw/zinc/63/88/68/1258638868.db2.gz SPBXYYBJRBGFNG-BBWFWOEESA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087519559 1258638875 /nfs/dbraw/zinc/63/88/75/1258638875.db2.gz SPBXYYBJRBGFNG-BBWFWOEESA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087519559 1258638883 /nfs/dbraw/zinc/63/88/83/1258638883.db2.gz SPBXYYBJRBGFNG-BBWFWOEESA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087519559 1258638889 /nfs/dbraw/zinc/63/88/89/1258638889.db2.gz SPBXYYBJRBGFNG-BBWFWOEESA-N 2 2 366.506 0.345 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088112010 1258647416 /nfs/dbraw/zinc/64/74/16/1258647416.db2.gz HXWODHDNJJOOFH-QKPAOTATSA-N 2 2 359.474 0.392 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001088112010 1258647424 /nfs/dbraw/zinc/64/74/24/1258647424.db2.gz HXWODHDNJJOOFH-QKPAOTATSA-N 2 2 359.474 0.392 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)C1=O ZINC001088170773 1258690248 /nfs/dbraw/zinc/69/02/48/1258690248.db2.gz FXQXBFZYTIGWQT-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)C1=O ZINC001088170773 1258690256 /nfs/dbraw/zinc/69/02/56/1258690256.db2.gz FXQXBFZYTIGWQT-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172061 1258692864 /nfs/dbraw/zinc/69/28/64/1258692864.db2.gz UTPARBPTVQLJNQ-ZNMIVQPWSA-N 2 2 359.478 0.147 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172061 1258692869 /nfs/dbraw/zinc/69/28/69/1258692869.db2.gz UTPARBPTVQLJNQ-ZNMIVQPWSA-N 2 2 359.478 0.147 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207924 1258730892 /nfs/dbraw/zinc/73/08/92/1258730892.db2.gz CPPKFKKQWQDIRI-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207924 1258730894 /nfs/dbraw/zinc/73/08/94/1258730894.db2.gz CPPKFKKQWQDIRI-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207924 1258730899 /nfs/dbraw/zinc/73/08/99/1258730899.db2.gz CPPKFKKQWQDIRI-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)on4)CC[C@@H]3C2)C1 ZINC001088207924 1258730904 /nfs/dbraw/zinc/73/09/04/1258730904.db2.gz CPPKFKKQWQDIRI-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211370 1258735400 /nfs/dbraw/zinc/73/54/00/1258735400.db2.gz GPSYPFFSGGAIFQ-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211370 1258735405 /nfs/dbraw/zinc/73/54/05/1258735405.db2.gz GPSYPFFSGGAIFQ-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212855 1258737745 /nfs/dbraw/zinc/73/77/45/1258737745.db2.gz WOUSSVJVLJOVSX-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212855 1258737749 /nfs/dbraw/zinc/73/77/49/1258737749.db2.gz WOUSSVJVLJOVSX-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212855 1258737753 /nfs/dbraw/zinc/73/77/53/1258737753.db2.gz WOUSSVJVLJOVSX-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212855 1258737758 /nfs/dbraw/zinc/73/77/58/1258737758.db2.gz WOUSSVJVLJOVSX-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)nn1 ZINC001088219821 1258741066 /nfs/dbraw/zinc/74/10/66/1258741066.db2.gz XMLMCAJUEHCMSE-CABCVRRESA-N 2 2 356.430 0.662 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)nn1 ZINC001088219821 1258741069 /nfs/dbraw/zinc/74/10/69/1258741069.db2.gz XMLMCAJUEHCMSE-CABCVRRESA-N 2 2 356.430 0.662 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219562 1258741444 /nfs/dbraw/zinc/74/14/44/1258741444.db2.gz JFBUXJLUVFRYRU-CVEARBPZSA-N 2 2 358.446 0.988 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219562 1258741448 /nfs/dbraw/zinc/74/14/48/1258741448.db2.gz JFBUXJLUVFRYRU-CVEARBPZSA-N 2 2 358.446 0.988 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060685 1258757681 /nfs/dbraw/zinc/75/76/81/1258757681.db2.gz BPGJETOJOQMGTL-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060685 1258757688 /nfs/dbraw/zinc/75/76/88/1258757688.db2.gz BPGJETOJOQMGTL-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060685 1258757694 /nfs/dbraw/zinc/75/76/94/1258757694.db2.gz BPGJETOJOQMGTL-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001089060685 1258757701 /nfs/dbraw/zinc/75/77/01/1258757701.db2.gz BPGJETOJOQMGTL-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001100686818 1258913614 /nfs/dbraw/zinc/91/36/14/1258913614.db2.gz UDYHDOCVWLIFCD-NEXFUWMNSA-N 2 2 361.490 0.923 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001106626827 1258930735 /nfs/dbraw/zinc/93/07/35/1258930735.db2.gz MZHRHZXHFKPPHM-ZIAGYGMSSA-N 2 2 360.462 0.158 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106678477 1258940898 /nfs/dbraw/zinc/94/08/98/1258940898.db2.gz PKFDCULBVULMPL-MWQQHZPXSA-N 2 2 373.501 0.734 20 0 FCADLP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2)[NH+](C)C ZINC001107450170 1259093286 /nfs/dbraw/zinc/09/32/86/1259093286.db2.gz GBJXOWRHJNYCRM-HBUWYVDXSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2)[NH+](C)C ZINC001107450170 1259093292 /nfs/dbraw/zinc/09/32/92/1259093292.db2.gz GBJXOWRHJNYCRM-HBUWYVDXSA-N 2 2 364.494 0.309 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107481057 1259101103 /nfs/dbraw/zinc/10/11/03/1259101103.db2.gz FACHUVJVXZLUDU-VQIMIIECSA-N 2 2 364.490 0.722 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107481057 1259101107 /nfs/dbraw/zinc/10/11/07/1259101107.db2.gz FACHUVJVXZLUDU-VQIMIIECSA-N 2 2 364.490 0.722 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521022 1259107207 /nfs/dbraw/zinc/10/72/07/1259107207.db2.gz HWJOCNZMSFXXNA-RHSMWYFYSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521022 1259107212 /nfs/dbraw/zinc/10/72/12/1259107212.db2.gz HWJOCNZMSFXXNA-RHSMWYFYSA-N 2 2 361.494 0.413 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2 ZINC001107634101 1259139306 /nfs/dbraw/zinc/13/93/06/1259139306.db2.gz KQGRGLCSCBMHCG-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107634101 1259139312 /nfs/dbraw/zinc/13/93/12/1259139312.db2.gz KQGRGLCSCBMHCG-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)c1cccnc1 ZINC001107647836 1259142745 /nfs/dbraw/zinc/14/27/45/1259142745.db2.gz VVJBAOTVCQBUNS-SZVBFZGTSA-N 2 2 359.474 0.530 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)c1cccnc1 ZINC001107647836 1259142752 /nfs/dbraw/zinc/14/27/52/1259142752.db2.gz VVJBAOTVCQBUNS-SZVBFZGTSA-N 2 2 359.474 0.530 20 0 FCADLP CCCCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024568 1259152484 /nfs/dbraw/zinc/15/24/84/1259152484.db2.gz MOYLALGRUHQSTE-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP CCCCOCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024568 1259152489 /nfs/dbraw/zinc/15/24/89/1259152489.db2.gz MOYLALGRUHQSTE-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP CCCCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024568 1259152491 /nfs/dbraw/zinc/15/24/91/1259152491.db2.gz MOYLALGRUHQSTE-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP CCCCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024568 1259152496 /nfs/dbraw/zinc/15/24/96/1259152496.db2.gz MOYLALGRUHQSTE-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@@H+]1C ZINC001127701120 1259184221 /nfs/dbraw/zinc/18/42/21/1259184221.db2.gz JOCSPQJEHWEGBK-GXTWGEPZSA-N 2 2 359.434 0.463 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nc(-c3ccncn3)no2)CC[N@H+]1C ZINC001127701120 1259184227 /nfs/dbraw/zinc/18/42/27/1259184227.db2.gz JOCSPQJEHWEGBK-GXTWGEPZSA-N 2 2 359.434 0.463 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830556 1259243144 /nfs/dbraw/zinc/24/31/44/1259243144.db2.gz UBIZHZHMAILYIZ-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830556 1259243152 /nfs/dbraw/zinc/24/31/52/1259243152.db2.gz UBIZHZHMAILYIZ-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830556 1259243160 /nfs/dbraw/zinc/24/31/60/1259243160.db2.gz UBIZHZHMAILYIZ-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830556 1259243167 /nfs/dbraw/zinc/24/31/67/1259243167.db2.gz UBIZHZHMAILYIZ-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129252656 1259356355 /nfs/dbraw/zinc/35/63/55/1259356355.db2.gz GCKGMMXZSZADED-FGTMMUONSA-N 2 2 371.489 0.801 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129252656 1259356363 /nfs/dbraw/zinc/35/63/63/1259356363.db2.gz GCKGMMXZSZADED-FGTMMUONSA-N 2 2 371.489 0.801 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289535 1259367074 /nfs/dbraw/zinc/36/70/74/1259367074.db2.gz ZKYUIOUFDAVRKI-XHSDSOJGSA-N 2 2 361.450 0.504 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289535 1259367080 /nfs/dbraw/zinc/36/70/80/1259367080.db2.gz ZKYUIOUFDAVRKI-XHSDSOJGSA-N 2 2 361.450 0.504 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406257 1259491455 /nfs/dbraw/zinc/49/14/55/1259491455.db2.gz MXKRTRWHRXNWGH-BRWVUGGUSA-N 2 2 367.494 0.055 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406257 1259491460 /nfs/dbraw/zinc/49/14/60/1259491460.db2.gz MXKRTRWHRXNWGH-BRWVUGGUSA-N 2 2 367.494 0.055 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)c1 ZINC001212410845 1259495868 /nfs/dbraw/zinc/49/58/68/1259495868.db2.gz WXMNGTGKNOJZGA-KURKYZTESA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)c1 ZINC001212410845 1259495871 /nfs/dbraw/zinc/49/58/71/1259495871.db2.gz WXMNGTGKNOJZGA-KURKYZTESA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)ccn1 ZINC001212414934 1259497109 /nfs/dbraw/zinc/49/71/09/1259497109.db2.gz YYAXBROJMBYSGK-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)ccn1 ZINC001212414934 1259497113 /nfs/dbraw/zinc/49/71/13/1259497113.db2.gz YYAXBROJMBYSGK-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](OC)C2)ccn1 ZINC001212414934 1259497115 /nfs/dbraw/zinc/49/71/15/1259497115.db2.gz YYAXBROJMBYSGK-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H](OC)C2)ccn1 ZINC001212414934 1259497120 /nfs/dbraw/zinc/49/71/20/1259497120.db2.gz YYAXBROJMBYSGK-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212452403 1259510729 /nfs/dbraw/zinc/51/07/29/1259510729.db2.gz APPWXQQAOHPYAF-HZPDHXFCSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001212452403 1259510733 /nfs/dbraw/zinc/51/07/33/1259510733.db2.gz APPWXQQAOHPYAF-HZPDHXFCSA-N 2 2 366.506 0.202 20 0 FCADLP CC1(C)[NH2+]C[C@@H](CN2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)O1 ZINC001235567047 1259577793 /nfs/dbraw/zinc/57/77/93/1259577793.db2.gz AYTBYUQYCQCVDZ-HNNXBMFYSA-N 2 2 358.446 0.418 20 0 FCADLP O=c1cc[nH]cc1C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001237836441 1259611910 /nfs/dbraw/zinc/61/19/10/1259611910.db2.gz HNXRBGBLDICEGP-UHFFFAOYSA-N 2 2 372.473 0.985 20 0 FCADLP O=c1cc[nH]cc1C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001237836441 1259611914 /nfs/dbraw/zinc/61/19/14/1259611914.db2.gz HNXRBGBLDICEGP-UHFFFAOYSA-N 2 2 372.473 0.985 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(N3CCOCC3)n2)C1 ZINC001237848062 1259612121 /nfs/dbraw/zinc/61/21/21/1259612121.db2.gz AZFKZAMPEWHKSC-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(N3CCOCC3)n2)C1 ZINC001237848062 1259612132 /nfs/dbraw/zinc/61/21/32/1259612132.db2.gz AZFKZAMPEWHKSC-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP S=C(Nc1ccc(-n2cccn2)cc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438879 1259624549 /nfs/dbraw/zinc/62/45/49/1259624549.db2.gz KMAOTBHLQRHTEI-UHFFFAOYSA-N 2 2 373.530 0.654 20 0 FCADLP CCCC[C@@H](CC)COC[C@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053260 1259644893 /nfs/dbraw/zinc/64/48/93/1259644893.db2.gz NLUXDGJMXGULPF-QZTJIDSGSA-N 3 2 374.570 0.696 20 0 FCADLP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053260 1259644902 /nfs/dbraw/zinc/64/49/02/1259644902.db2.gz NLUXDGJMXGULPF-QZTJIDSGSA-N 3 2 374.570 0.696 20 0 FCADLP CCCC[C@H](CC)COC[C@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053271 1259646160 /nfs/dbraw/zinc/64/61/60/1259646160.db2.gz NLUXDGJMXGULPF-ZWKOTPCHSA-N 3 2 374.570 0.696 20 0 FCADLP CCCC[C@H](CC)COC[C@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053271 1259646165 /nfs/dbraw/zinc/64/61/65/1259646165.db2.gz NLUXDGJMXGULPF-ZWKOTPCHSA-N 3 2 374.570 0.696 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C[NH2+]1 ZINC001246743286 1259678338 /nfs/dbraw/zinc/67/83/38/1259678338.db2.gz FQVCYAUKHNXBSR-LAQRGFTBSA-N 2 2 363.433 0.867 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C[NH2+]1 ZINC001246743286 1259678344 /nfs/dbraw/zinc/67/83/44/1259678344.db2.gz FQVCYAUKHNXBSR-LAQRGFTBSA-N 2 2 363.433 0.867 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246923750 1259695674 /nfs/dbraw/zinc/69/56/74/1259695674.db2.gz OSEXYTGYTMNBEE-NEPJUHHUSA-N 2 2 373.379 0.957 20 0 FCADLP C[NH+]1CCN(c2cccc(-c3noc([C@@H]([NH3+])Cc4nn[nH]n4)n3)c2)CC1 ZINC001247302368 1259699652 /nfs/dbraw/zinc/69/96/52/1259699652.db2.gz MFQFQSLUZHPTAS-ZDUSSCGKSA-N 2 2 355.406 0.244 20 0 FCADLP COc1cc(OC)cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247330901 1259699860 /nfs/dbraw/zinc/69/98/60/1259699860.db2.gz DNGCEPHOYAFITI-AWEZNQCLSA-N 2 2 372.385 0.663 20 0 FCADLP COc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c(F)c1 ZINC001247329548 1259700317 /nfs/dbraw/zinc/70/03/17/1259700317.db2.gz AASLUDOGMPDOOQ-ZDUSSCGKSA-N 2 2 360.349 0.794 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COCc1ccco1)CC2 ZINC001252634316 1259798904 /nfs/dbraw/zinc/79/89/04/1259798904.db2.gz HVZQWUGYEZYOIG-MRXNPFEDSA-N 2 2 365.474 0.834 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COCc1ccco1)CC2 ZINC001252634316 1259798911 /nfs/dbraw/zinc/79/89/11/1259798911.db2.gz HVZQWUGYEZYOIG-MRXNPFEDSA-N 2 2 365.474 0.834 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001335711447 1259799330 /nfs/dbraw/zinc/79/93/30/1259799330.db2.gz ACXBTYBJVLMTHS-AWEZNQCLSA-N 2 2 372.477 0.727 20 0 FCADLP COc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001252720517 1259806209 /nfs/dbraw/zinc/80/62/09/1259806209.db2.gz MOFUKDWENDTJLF-HZPDHXFCSA-N 2 2 365.474 0.577 20 0 FCADLP COc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001252720517 1259806217 /nfs/dbraw/zinc/80/62/17/1259806217.db2.gz MOFUKDWENDTJLF-HZPDHXFCSA-N 2 2 365.474 0.577 20 0 FCADLP O=C1COCCN1C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252933774 1259813806 /nfs/dbraw/zinc/81/38/06/1259813806.db2.gz MZBKHNKGALNNRD-OAQYLSRUSA-N 2 2 373.497 0.947 20 0 FCADLP O=C1COCCN1C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252933774 1259813816 /nfs/dbraw/zinc/81/38/16/1259813816.db2.gz MZBKHNKGALNNRD-OAQYLSRUSA-N 2 2 373.497 0.947 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252930518 1259814470 /nfs/dbraw/zinc/81/44/70/1259814470.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 2 356.426 0.883 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC001252930518 1259814476 /nfs/dbraw/zinc/81/44/76/1259814476.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 2 356.426 0.883 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC001252930518 1259814482 /nfs/dbraw/zinc/81/44/82/1259814482.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 2 356.426 0.883 20 0 FCADLP O=c1[nH]c(=O)c2c([nH]1)CC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001252930518 1259814487 /nfs/dbraw/zinc/81/44/87/1259814487.db2.gz XAFRQSSKSCAIHT-LJQANCHMSA-N 2 2 356.426 0.883 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC001331834701 1266293017 /nfs/dbraw/zinc/29/30/17/1266293017.db2.gz NNZMERIOSNRFSD-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC001331834701 1266293026 /nfs/dbraw/zinc/29/30/26/1266293026.db2.gz NNZMERIOSNRFSD-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)[C@@H]([NH3+])C1 ZINC001256049946 1259931539 /nfs/dbraw/zinc/93/15/39/1259931539.db2.gz XJSHVNCXBVRZMC-LSDHHAIUSA-N 2 2 362.478 0.982 20 0 FCADLP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205706 1259937277 /nfs/dbraw/zinc/93/72/77/1259937277.db2.gz XRIIBXLFZODBSF-IBGZPJMESA-N 2 2 374.489 0.154 20 0 FCADLP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205706 1259937281 /nfs/dbraw/zinc/93/72/81/1259937281.db2.gz XRIIBXLFZODBSF-IBGZPJMESA-N 2 2 374.489 0.154 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCc3ccncc3)CC2)CC1 ZINC001257560981 1260020326 /nfs/dbraw/zinc/02/03/26/1260020326.db2.gz RISAHOYNMOECMX-UHFFFAOYSA-N 2 2 373.501 0.415 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCCC(F)(F)C3)CC2)CC1 ZINC001261534464 1260156320 /nfs/dbraw/zinc/15/63/20/1260156320.db2.gz QNRPVQYRZRADPF-UHFFFAOYSA-N 2 2 372.460 0.919 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001336712613 1260206742 /nfs/dbraw/zinc/20/67/42/1260206742.db2.gz DQBHFTHDDKCOEJ-UHFFFAOYSA-N 2 2 373.501 0.575 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001262046818 1260250961 /nfs/dbraw/zinc/25/09/61/1260250961.db2.gz ZHZBLVCDBAQHPC-PMACEKPBSA-N 2 2 372.513 0.614 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001262046818 1260250968 /nfs/dbraw/zinc/25/09/68/1260250968.db2.gz ZHZBLVCDBAQHPC-PMACEKPBSA-N 2 2 372.513 0.614 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930119 1260257273 /nfs/dbraw/zinc/25/72/73/1260257273.db2.gz VYNIAYUQNOMBBG-PBHICJAKSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930119 1260257279 /nfs/dbraw/zinc/25/72/79/1260257279.db2.gz VYNIAYUQNOMBBG-PBHICJAKSA-N 2 2 360.458 0.839 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001262096988 1260261147 /nfs/dbraw/zinc/26/11/47/1260261147.db2.gz NUAJWISWWBOOAM-RBVVOMGSSA-N 2 2 373.505 0.801 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001262170086 1260273935 /nfs/dbraw/zinc/27/39/35/1260273935.db2.gz CIIASOYBKWCYPS-DLBZAZTESA-N 2 2 363.510 0.859 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001262170086 1260273940 /nfs/dbraw/zinc/27/39/40/1260273940.db2.gz CIIASOYBKWCYPS-DLBZAZTESA-N 2 2 363.510 0.859 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc[nH+]1 ZINC001262360281 1260306820 /nfs/dbraw/zinc/30/68/20/1260306820.db2.gz BXCNPNIWTZIEIG-GJZGRUSLSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc[nH+]1 ZINC001262360281 1260306829 /nfs/dbraw/zinc/30/68/29/1260306829.db2.gz BXCNPNIWTZIEIG-GJZGRUSLSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]cn1 ZINC001262360281 1260306836 /nfs/dbraw/zinc/30/68/36/1260306836.db2.gz BXCNPNIWTZIEIG-GJZGRUSLSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]cn1 ZINC001262360281 1260306844 /nfs/dbraw/zinc/30/68/44/1260306844.db2.gz BXCNPNIWTZIEIG-GJZGRUSLSA-N 2 2 362.478 0.402 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH+]2CCC(CO)CC2)c1 ZINC001337087964 1260307154 /nfs/dbraw/zinc/30/71/54/1260307154.db2.gz PNPRNTCGBQTKJA-GOSISDBHSA-N 2 2 374.485 0.779 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH+]2CCC(CO)CC2)c1 ZINC001337087964 1260307162 /nfs/dbraw/zinc/30/71/62/1260307162.db2.gz PNPRNTCGBQTKJA-GOSISDBHSA-N 2 2 374.485 0.779 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)no1 ZINC001337872794 1260506445 /nfs/dbraw/zinc/50/64/45/1260506445.db2.gz WVMSPKPQEXQMFU-UHFFFAOYSA-N 2 2 365.478 0.263 20 0 FCADLP CN(C(=O)NCc1nnc2n1CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338233762 1260596032 /nfs/dbraw/zinc/59/60/32/1260596032.db2.gz SUOQUFXJSMZPNF-HNNXBMFYSA-N 2 2 361.494 0.534 20 0 FCADLP CN(C(=O)NCc1nnc2n1CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338233762 1260596037 /nfs/dbraw/zinc/59/60/37/1260596037.db2.gz SUOQUFXJSMZPNF-HNNXBMFYSA-N 2 2 361.494 0.534 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC001273193440 1260620207 /nfs/dbraw/zinc/62/02/07/1260620207.db2.gz ZTGZKCMXBDIWTG-KHYOSLBOSA-N 2 2 359.474 0.854 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)C1 ZINC001273217231 1260626008 /nfs/dbraw/zinc/62/60/08/1260626008.db2.gz LKGVFIUGYHLYRR-MRXNPFEDSA-N 2 2 360.458 0.542 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)C1 ZINC001273217231 1260626016 /nfs/dbraw/zinc/62/60/16/1260626016.db2.gz LKGVFIUGYHLYRR-MRXNPFEDSA-N 2 2 360.458 0.542 20 0 FCADLP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccon4)CC3)[C@H]2C1 ZINC001279285353 1260822579 /nfs/dbraw/zinc/82/25/79/1260822579.db2.gz NZRDWCKGOOEPFZ-HOTGVXAUSA-N 2 2 364.446 0.308 20 0 FCADLP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccon4)CC3)[C@H]2C1 ZINC001279285353 1260822583 /nfs/dbraw/zinc/82/25/83/1260822583.db2.gz NZRDWCKGOOEPFZ-HOTGVXAUSA-N 2 2 364.446 0.308 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cncc(O)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279459423 1260872743 /nfs/dbraw/zinc/87/27/43/1260872743.db2.gz AABTWSJMNZBQRZ-LJQANCHMSA-N 2 2 361.490 0.505 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cncc(O)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279459423 1260872748 /nfs/dbraw/zinc/87/27/48/1260872748.db2.gz AABTWSJMNZBQRZ-LJQANCHMSA-N 2 2 361.490 0.505 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCC2(C[NH+](Cc3ccc(=O)[nH]n3)C2)C1 ZINC001279459018 1260873166 /nfs/dbraw/zinc/87/31/66/1260873166.db2.gz QGVAMUAHPIPODB-MRXNPFEDSA-N 2 2 357.458 0.701 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC3(CN(C(=O)C4=CNN5C=CNC=C45)C3)C2)C1 ZINC001279501504 1260880763 /nfs/dbraw/zinc/88/07/63/1260880763.db2.gz HIOCTZYEPUXPOS-HNNXBMFYSA-N 2 2 356.474 0.092 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CC3(CN(C(=O)C4=CNN5C=CNC=C45)C3)C2)C1 ZINC001279501504 1260880766 /nfs/dbraw/zinc/88/07/66/1260880766.db2.gz HIOCTZYEPUXPOS-HNNXBMFYSA-N 2 2 356.474 0.092 20 0 FCADLP COCC[N@@H+]1CCc2onc(C(=O)Nc3cnn(CC[NH+](C)C)c3)c2C1 ZINC001279721829 1260922361 /nfs/dbraw/zinc/92/23/61/1260922361.db2.gz ZESIPAKOJQREJS-UHFFFAOYSA-N 2 2 362.434 0.690 20 0 FCADLP COCC[N@H+]1CCc2onc(C(=O)Nc3cnn(CC[NH+](C)C)c3)c2C1 ZINC001279721829 1260922364 /nfs/dbraw/zinc/92/23/64/1260922364.db2.gz ZESIPAKOJQREJS-UHFFFAOYSA-N 2 2 362.434 0.690 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC23C[NH+](Cc2ccnnc2)C3)cn1 ZINC001279859848 1260945471 /nfs/dbraw/zinc/94/54/71/1260945471.db2.gz OMMQYPQJEUTQNE-INIZCTEOSA-N 2 2 355.446 0.695 20 0 FCADLP C[NH+]1CCC(N2CC[N@H+](Cc3cn[nH]c3)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001280071668 1260990784 /nfs/dbraw/zinc/99/07/84/1260990784.db2.gz XOXREDBIFGVKJP-IBGZPJMESA-N 2 2 360.506 0.660 20 0 FCADLP C[NH+]1CCC(N2CC[N@@H+](Cc3cn[nH]c3)C[C@@]3(CCCC(=O)N3)C2)CC1 ZINC001280071668 1260990793 /nfs/dbraw/zinc/99/07/93/1260990793.db2.gz XOXREDBIFGVKJP-IBGZPJMESA-N 2 2 360.506 0.660 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280167537 1261018829 /nfs/dbraw/zinc/01/88/29/1261018829.db2.gz CULGTBCKJMUZDO-HZPDHXFCSA-N 2 2 363.462 0.043 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001280167537 1261018834 /nfs/dbraw/zinc/01/88/34/1261018834.db2.gz CULGTBCKJMUZDO-HZPDHXFCSA-N 2 2 363.462 0.043 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(CCn2cccn2)n1 ZINC001292958703 1262706776 /nfs/dbraw/zinc/70/67/76/1262706776.db2.gz MZQJGKLPYZWALY-UHFFFAOYSA-N 2 2 373.505 0.878 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(CCn2cccn2)n1 ZINC001292958703 1262706778 /nfs/dbraw/zinc/70/67/78/1262706778.db2.gz MZQJGKLPYZWALY-UHFFFAOYSA-N 2 2 373.505 0.878 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001295257205 1262761100 /nfs/dbraw/zinc/76/11/00/1262761100.db2.gz GRDXEVQHXGHDKZ-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001295257205 1262761106 /nfs/dbraw/zinc/76/11/06/1262761106.db2.gz GRDXEVQHXGHDKZ-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CO[C@@H](C)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001296826878 1262839259 /nfs/dbraw/zinc/83/92/59/1262839259.db2.gz SLPMBVYTFGYUOY-GVDBMIGSSA-N 2 2 368.522 0.354 20 0 FCADLP CO[C@@H](C)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001296826878 1262839263 /nfs/dbraw/zinc/83/92/63/1262839263.db2.gz SLPMBVYTFGYUOY-GVDBMIGSSA-N 2 2 368.522 0.354 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC001580362950 1278167679 /nfs/dbraw/zinc/16/76/79/1278167679.db2.gz VADZMTVQHWOOOH-CYBMUJFWSA-N 2 2 359.517 0.986 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479668266 1263323193 /nfs/dbraw/zinc/32/31/93/1263323193.db2.gz BEIORQWHPKBTMY-CVEARBPZSA-N 2 2 368.503 0.488 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479668266 1263323205 /nfs/dbraw/zinc/32/32/05/1263323205.db2.gz BEIORQWHPKBTMY-CVEARBPZSA-N 2 2 368.503 0.488 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001492057221 1263635822 /nfs/dbraw/zinc/63/58/22/1263635822.db2.gz XNNUZLVWABDSKT-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001492057221 1263635831 /nfs/dbraw/zinc/63/58/31/1263635831.db2.gz XNNUZLVWABDSKT-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC001492163048 1263641076 /nfs/dbraw/zinc/64/10/76/1263641076.db2.gz ILZSSOSZOCRDES-RHSMWYFYSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CNC(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC001492163048 1263641082 /nfs/dbraw/zinc/64/10/82/1263641082.db2.gz ILZSSOSZOCRDES-RHSMWYFYSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257705 1263646282 /nfs/dbraw/zinc/64/62/82/1263646282.db2.gz UBSUAMKNXWUSJN-FRRDWIJNSA-N 2 2 353.492 0.858 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257705 1263646286 /nfs/dbraw/zinc/64/62/86/1263646286.db2.gz UBSUAMKNXWUSJN-FRRDWIJNSA-N 2 2 353.492 0.858 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492257705 1263646291 /nfs/dbraw/zinc/64/62/91/1263646291.db2.gz UBSUAMKNXWUSJN-FRRDWIJNSA-N 2 2 353.492 0.858 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492257705 1263646297 /nfs/dbraw/zinc/64/62/97/1263646297.db2.gz UBSUAMKNXWUSJN-FRRDWIJNSA-N 2 2 353.492 0.858 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001320484170 1263803364 /nfs/dbraw/zinc/80/33/64/1263803364.db2.gz PSTQAAXOFWDRHJ-HNNXBMFYSA-N 2 2 362.478 0.440 20 0 FCADLP COC[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC001495190968 1263805741 /nfs/dbraw/zinc/80/57/41/1263805741.db2.gz GLNIDJVDNRNCJP-RRFJBIMHSA-N 2 2 350.463 0.550 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001322511237 1264209170 /nfs/dbraw/zinc/20/91/70/1264209170.db2.gz WXMYEHQLYYWVOH-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP COCC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322725606 1264250582 /nfs/dbraw/zinc/25/05/82/1264250582.db2.gz VSDKSPPAFJAZCJ-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP COCC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322725606 1264250586 /nfs/dbraw/zinc/25/05/86/1264250586.db2.gz VSDKSPPAFJAZCJ-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC(C)(C)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001505835706 1264282344 /nfs/dbraw/zinc/28/23/44/1264282344.db2.gz NFMRPSMSUZQTNX-HUUCEWRRSA-N 2 2 361.490 0.830 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001323541033 1264451118 /nfs/dbraw/zinc/45/11/18/1264451118.db2.gz HIBITGHDRXYBCR-RBSFLKMASA-N 2 2 361.490 0.923 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001323962718 1264549001 /nfs/dbraw/zinc/54/90/01/1264549001.db2.gz CUFQLUQIOOGWJZ-HZPDHXFCSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001323962718 1264549010 /nfs/dbraw/zinc/54/90/10/1264549010.db2.gz CUFQLUQIOOGWJZ-HZPDHXFCSA-N 2 2 357.458 0.473 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001512827348 1264678473 /nfs/dbraw/zinc/67/84/73/1264678473.db2.gz CMGJRUBFJXUHCH-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001512827348 1264678478 /nfs/dbraw/zinc/67/84/78/1264678478.db2.gz CMGJRUBFJXUHCH-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001325249957 1264823047 /nfs/dbraw/zinc/82/30/47/1264823047.db2.gz MUGTYXVWVVYKIO-UHFFFAOYSA-N 2 2 359.430 0.687 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001325388209 1264870915 /nfs/dbraw/zinc/87/09/15/1264870915.db2.gz GIDIGMVFWXPXDS-UHFFFAOYSA-N 2 2 364.494 0.365 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001325718273 1264977194 /nfs/dbraw/zinc/97/71/94/1264977194.db2.gz GXYHPZWXCKLKNJ-INIZCTEOSA-N 2 2 361.490 0.039 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001580406274 1278242715 /nfs/dbraw/zinc/24/27/15/1278242715.db2.gz DCRFJZDOZLQOLB-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1)[NH+](CC)CC ZINC001513435891 1265121304 /nfs/dbraw/zinc/12/13/04/1265121304.db2.gz YNDVJKLNDKBWNU-BZUAXINKSA-N 2 2 365.478 0.415 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC001332693354 1266461427 /nfs/dbraw/zinc/46/14/27/1266461427.db2.gz OMXHOCGITCNXKH-LIRRHRJNSA-N 2 2 360.458 0.911 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC001333403185 1266593453 /nfs/dbraw/zinc/59/34/53/1266593453.db2.gz BFGLGHKJGPDZKT-GASCZTMLSA-N 2 2 373.501 0.691 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001580418589 1278272261 /nfs/dbraw/zinc/27/22/61/1278272261.db2.gz JYPJZOAAHOGYOP-IJLUTSLNSA-N 2 2 367.417 0.137 20 0 FCADLP COC(=O)c1ncoc1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001333681993 1266674592 /nfs/dbraw/zinc/67/45/92/1266674592.db2.gz FJEFTQSOHXVYNE-ZDUSSCGKSA-N 2 2 364.446 0.679 20 0 FCADLP COC(=O)c1ncoc1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001333681993 1266674600 /nfs/dbraw/zinc/67/46/00/1266674600.db2.gz FJEFTQSOHXVYNE-ZDUSSCGKSA-N 2 2 364.446 0.679 20 0 FCADLP CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001334248317 1266909803 /nfs/dbraw/zinc/90/98/03/1266909803.db2.gz QHMGDKVMEODCPU-UHFFFAOYSA-N 2 2 372.491 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H]1C[NH+](C)CCN1C ZINC001528130316 1266948343 /nfs/dbraw/zinc/94/83/43/1266948343.db2.gz KCFJMTDXHSABLE-IRXDYDNUSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H]1C[NH+](C)CCN1C ZINC001528130316 1266948349 /nfs/dbraw/zinc/94/83/49/1266948349.db2.gz KCFJMTDXHSABLE-IRXDYDNUSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001528130316 1266948358 /nfs/dbraw/zinc/94/83/58/1266948358.db2.gz KCFJMTDXHSABLE-IRXDYDNUSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001528130316 1266948367 /nfs/dbraw/zinc/94/83/67/1266948367.db2.gz KCFJMTDXHSABLE-IRXDYDNUSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001528130316 1266948376 /nfs/dbraw/zinc/94/83/76/1266948376.db2.gz KCFJMTDXHSABLE-IRXDYDNUSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC001528130316 1266948389 /nfs/dbraw/zinc/94/83/89/1266948389.db2.gz KCFJMTDXHSABLE-IRXDYDNUSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001528252929 1266958762 /nfs/dbraw/zinc/95/87/62/1266958762.db2.gz CNLJMJFWOPAUCQ-FGTMMUONSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@@H+]1C ZINC001529774871 1267075256 /nfs/dbraw/zinc/07/52/56/1267075256.db2.gz GJRVMYNFZGMLSQ-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@H+]1C ZINC001529774871 1267075267 /nfs/dbraw/zinc/07/52/67/1267075267.db2.gz GJRVMYNFZGMLSQ-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@@H+]1C ZINC001580446412 1278310335 /nfs/dbraw/zinc/31/03/35/1278310335.db2.gz CXDZRTXEYNJEKH-BBRMVZONSA-N 2 2 369.473 0.897 20 0 FCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC[N@H+]1C ZINC001580446412 1278310347 /nfs/dbraw/zinc/31/03/47/1278310347.db2.gz CXDZRTXEYNJEKH-BBRMVZONSA-N 2 2 369.473 0.897 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn(CCn4cccn4)n3)C2)CC1 ZINC001543235114 1267534927 /nfs/dbraw/zinc/53/49/27/1267534927.db2.gz TWAXXCPXHUDVSG-INIZCTEOSA-N 2 2 371.489 0.678 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccn(CCn4cccn4)n3)C2)CC1 ZINC001543235114 1267534934 /nfs/dbraw/zinc/53/49/34/1267534934.db2.gz TWAXXCPXHUDVSG-INIZCTEOSA-N 2 2 371.489 0.678 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@@H](NC(=O)N2CCC[N@H+](C)CC2)CCC(=O)N1C1CC1 ZINC001548899317 1267767604 /nfs/dbraw/zinc/76/76/04/1267767604.db2.gz IZIPCGUERAVAMD-MAUKXSAKSA-N 2 2 374.489 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)CCC(=O)N1C1CC1 ZINC001548899317 1267767608 /nfs/dbraw/zinc/76/76/08/1267767608.db2.gz IZIPCGUERAVAMD-MAUKXSAKSA-N 2 2 374.489 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001549152096 1267829046 /nfs/dbraw/zinc/82/90/46/1267829046.db2.gz AXFBIPMNQALZJC-GRDNDAEWSA-N 2 2 360.462 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001549152100 1267829327 /nfs/dbraw/zinc/82/93/27/1267829327.db2.gz AXFBIPMNQALZJC-JKIFEVAISA-N 2 2 360.462 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001549152656 1267831132 /nfs/dbraw/zinc/83/11/32/1267831132.db2.gz FTEICXZRVVFFEC-SZOQZIPDSA-N 2 2 362.478 0.912 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549153250 1267831466 /nfs/dbraw/zinc/83/14/66/1267831466.db2.gz LWSHZBOBLAWFPT-WMLDXEAASA-N 2 2 362.478 0.866 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549153250 1267831480 /nfs/dbraw/zinc/83/14/80/1267831480.db2.gz LWSHZBOBLAWFPT-WMLDXEAASA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001549161123 1267840505 /nfs/dbraw/zinc/84/05/05/1267840505.db2.gz ICXFFUFOVQWAIO-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001549161123 1267840527 /nfs/dbraw/zinc/84/05/27/1267840527.db2.gz ICXFFUFOVQWAIO-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001549176804 1267853643 /nfs/dbraw/zinc/85/36/43/1267853643.db2.gz XBJGJONTXQPXDL-UALQAHIBSA-N 2 2 360.462 0.510 20 0 FCADLP C[NH+](C)[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549559683 1267955862 /nfs/dbraw/zinc/95/58/62/1267955862.db2.gz CKXMQEZUOKPPQY-ARFHVFGLSA-N 2 2 372.477 0.268 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001338491304 1267959327 /nfs/dbraw/zinc/95/93/27/1267959327.db2.gz GXINNSBZZLFPHM-YJLNNSPDSA-N 2 2 364.490 0.609 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001338491304 1267959332 /nfs/dbraw/zinc/95/93/32/1267959332.db2.gz GXINNSBZZLFPHM-YJLNNSPDSA-N 2 2 364.490 0.609 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)nn1 ZINC001549751275 1267987391 /nfs/dbraw/zinc/98/73/91/1267987391.db2.gz RVPNDIZZQWXBSK-KBAYOESNSA-N 2 2 370.457 0.283 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)nn1 ZINC001549751275 1267987397 /nfs/dbraw/zinc/98/73/97/1267987397.db2.gz RVPNDIZZQWXBSK-KBAYOESNSA-N 2 2 370.457 0.283 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H](O)[C@@H](Oc4ccccc4)C3)cn2)CC1 ZINC001550126728 1268077970 /nfs/dbraw/zinc/07/79/70/1268077970.db2.gz FTFKMVZFBOQFKA-MOPGFXCFSA-N 2 2 369.469 0.853 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](O)[C@@H](Oc4ccccc4)C3)cn2)CC1 ZINC001550126728 1268077983 /nfs/dbraw/zinc/07/79/83/1268077983.db2.gz FTFKMVZFBOQFKA-MOPGFXCFSA-N 2 2 369.469 0.853 20 0 FCADLP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550266059 1268100206 /nfs/dbraw/zinc/10/02/06/1268100206.db2.gz QVZLZJKRXOBLKC-PKOBYXMFSA-N 2 2 357.502 0.905 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550267890 1268101216 /nfs/dbraw/zinc/10/12/16/1268101216.db2.gz COOPEDKZZMQFBC-POZUXBRTSA-N 2 2 374.489 0.915 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001550565042 1268134289 /nfs/dbraw/zinc/13/42/89/1268134289.db2.gz WQXLQKUUVQQYNU-XMTFNYHQSA-N 2 2 351.491 0.951 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550587288 1268138199 /nfs/dbraw/zinc/13/81/99/1268138199.db2.gz VGJGIVXAWINWLP-BSDSXHPESA-N 2 2 351.491 0.999 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550587288 1268138204 /nfs/dbraw/zinc/13/82/04/1268138204.db2.gz VGJGIVXAWINWLP-BSDSXHPESA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C12CCC2 ZINC001550594790 1268139462 /nfs/dbraw/zinc/13/94/62/1268139462.db2.gz BXOQWPYYDBVHJV-LUKYLMHMSA-N 2 2 351.491 0.855 20 0 FCADLP CC1([NH+]2CCC2)CCN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001550614875 1268139993 /nfs/dbraw/zinc/13/99/93/1268139993.db2.gz NGYKTCUQKBAPDC-IAGOWNOFSA-N 2 2 351.491 0.953 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001550745673 1268160430 /nfs/dbraw/zinc/16/04/30/1268160430.db2.gz SQAQXMIUGZMZCS-MZMPZRCHSA-N 2 2 360.462 0.667 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001550745680 1268160772 /nfs/dbraw/zinc/16/07/72/1268160772.db2.gz SQAQXMIUGZMZCS-XCRHUMRWSA-N 2 2 360.462 0.667 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550746615 1268161701 /nfs/dbraw/zinc/16/17/01/1268161701.db2.gz WKCILEARSLROJQ-XJIUQZFPSA-N 2 2 360.462 0.381 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC001550756234 1268163437 /nfs/dbraw/zinc/16/34/37/1268163437.db2.gz PODXFLZHMQKHRC-JKSUJKDBSA-N 2 2 352.479 0.261 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@H]1C ZINC001339148307 1268176171 /nfs/dbraw/zinc/17/61/71/1268176171.db2.gz WRRUENYRENHIAP-HUUCEWRRSA-N 2 2 350.511 0.938 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@H]1C ZINC001339148307 1268176175 /nfs/dbraw/zinc/17/61/75/1268176175.db2.gz WRRUENYRENHIAP-HUUCEWRRSA-N 2 2 350.511 0.938 20 0 FCADLP Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001339486988 1268250140 /nfs/dbraw/zinc/25/01/40/1268250140.db2.gz LTOAFMAFCLBSCI-GJZGRUSLSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001339486988 1268250148 /nfs/dbraw/zinc/25/01/48/1268250148.db2.gz LTOAFMAFCLBSCI-GJZGRUSLSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001339486988 1268250154 /nfs/dbraw/zinc/25/01/54/1268250154.db2.gz LTOAFMAFCLBSCI-GJZGRUSLSA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001339486988 1268250165 /nfs/dbraw/zinc/25/01/65/1268250165.db2.gz LTOAFMAFCLBSCI-GJZGRUSLSA-N 2 2 361.494 0.325 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[NH+]1CCOCC1 ZINC001551568034 1268273793 /nfs/dbraw/zinc/27/37/93/1268273793.db2.gz UECCYCMGKZNCTA-NEBZKDRISA-N 2 2 364.412 0.937 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC001552013042 1268352009 /nfs/dbraw/zinc/35/20/09/1268352009.db2.gz XVJOZJVRLQIBMO-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC001552013045 1268352253 /nfs/dbraw/zinc/35/22/53/1268352253.db2.gz XVJOZJVRLQIBMO-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC001552015282 1268352676 /nfs/dbraw/zinc/35/26/76/1268352676.db2.gz ZWFMMAGCQRESSV-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC001552015282 1268352689 /nfs/dbraw/zinc/35/26/89/1268352689.db2.gz ZWFMMAGCQRESSV-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001552015277 1268352719 /nfs/dbraw/zinc/35/27/19/1268352719.db2.gz ZWFMMAGCQRESSV-BRWVUGGUSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC001552015277 1268352728 /nfs/dbraw/zinc/35/27/28/1268352728.db2.gz ZWFMMAGCQRESSV-BRWVUGGUSA-N 2 2 354.495 0.602 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)CCO1 ZINC001552112268 1268379352 /nfs/dbraw/zinc/37/93/52/1268379352.db2.gz ZGDVSMLKIDVJHJ-ARFHVFGLSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@H](O)C2)CCO1 ZINC001552112268 1268379362 /nfs/dbraw/zinc/37/93/62/1268379362.db2.gz ZGDVSMLKIDVJHJ-ARFHVFGLSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)CCO1 ZINC001552112268 1268379371 /nfs/dbraw/zinc/37/93/71/1268379371.db2.gz ZGDVSMLKIDVJHJ-ARFHVFGLSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)CCO1 ZINC001552112268 1268379381 /nfs/dbraw/zinc/37/93/81/1268379381.db2.gz ZGDVSMLKIDVJHJ-ARFHVFGLSA-N 2 2 354.495 0.384 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cnn1C ZINC001552167785 1268399471 /nfs/dbraw/zinc/39/94/71/1268399471.db2.gz JDFCNSQDDXLBFC-XFKAJCMBSA-N 2 2 361.490 0.211 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@H]1C ZINC001340052771 1268418752 /nfs/dbraw/zinc/41/87/52/1268418752.db2.gz BZUPWPDYUPBUBV-IOASZLSFSA-N 2 2 374.493 0.877 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@H]1C ZINC001340052771 1268418754 /nfs/dbraw/zinc/41/87/54/1268418754.db2.gz BZUPWPDYUPBUBV-IOASZLSFSA-N 2 2 374.493 0.877 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001552365876 1268449018 /nfs/dbraw/zinc/44/90/18/1268449018.db2.gz FXNKESJCABUCQY-LRDDRELGSA-N 2 2 374.449 0.320 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001552367464 1268450766 /nfs/dbraw/zinc/45/07/66/1268450766.db2.gz MKHMXKMJJBEAPU-XJKSGUPXSA-N 2 2 374.449 0.320 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001580500013 1278410560 /nfs/dbraw/zinc/41/05/60/1278410560.db2.gz AGCCBSHZHVWTAJ-UHFFFAOYSA-N 2 2 366.429 0.879 20 0 FCADLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435281 1268462455 /nfs/dbraw/zinc/46/24/55/1268462455.db2.gz CXTVTEHMIDXUIX-HOCLYGCPSA-N 3 2 361.494 0.019 20 0 FCADLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435281 1268462460 /nfs/dbraw/zinc/46/24/60/1268462460.db2.gz CXTVTEHMIDXUIX-HOCLYGCPSA-N 3 2 361.494 0.019 20 0 FCADLP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001340198459 1268468563 /nfs/dbraw/zinc/46/85/63/1268468563.db2.gz DFSXCBIBZONEST-FQEVSTJZSA-N 2 2 360.502 0.891 20 0 FCADLP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001340198459 1268468568 /nfs/dbraw/zinc/46/85/68/1268468568.db2.gz DFSXCBIBZONEST-FQEVSTJZSA-N 2 2 360.502 0.891 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001580500873 1278411703 /nfs/dbraw/zinc/41/17/03/1278411703.db2.gz HTUDTNLFWNLZKX-VIFPVBQESA-N 2 2 360.447 0.797 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@H](O)C2)c1C ZINC001552706773 1268527557 /nfs/dbraw/zinc/52/75/57/1268527557.db2.gz PZSLEEQKWJKUKP-HNNXBMFYSA-N 2 2 373.457 0.937 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@H](O)C2)c1C ZINC001552706773 1268527561 /nfs/dbraw/zinc/52/75/61/1268527561.db2.gz PZSLEEQKWJKUKP-HNNXBMFYSA-N 2 2 373.457 0.937 20 0 FCADLP CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001340442864 1268548767 /nfs/dbraw/zinc/54/87/67/1268548767.db2.gz QMFDZRNXQQOKEC-INIZCTEOSA-N 2 2 366.510 0.848 20 0 FCADLP CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[NH+](CCOC)CC1 ZINC001340442864 1268548771 /nfs/dbraw/zinc/54/87/71/1268548771.db2.gz QMFDZRNXQQOKEC-INIZCTEOSA-N 2 2 366.510 0.848 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@@H]1n1ccnn1 ZINC001552796946 1268549498 /nfs/dbraw/zinc/54/94/98/1268549498.db2.gz BURYRXPBSNSJKQ-MSOLQXFVSA-N 2 2 369.473 0.790 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813736 1268553912 /nfs/dbraw/zinc/55/39/12/1268553912.db2.gz SARABVXYFVBLIS-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813736 1268553916 /nfs/dbraw/zinc/55/39/16/1268553916.db2.gz SARABVXYFVBLIS-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001552813736 1268553922 /nfs/dbraw/zinc/55/39/22/1268553922.db2.gz SARABVXYFVBLIS-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@@H]1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001552813736 1268553926 /nfs/dbraw/zinc/55/39/26/1268553926.db2.gz SARABVXYFVBLIS-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001552831570 1268555660 /nfs/dbraw/zinc/55/56/60/1268555660.db2.gz SIKUJJFDPUUXMH-RDTXWAMCSA-N 2 2 355.446 0.544 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001340483773 1268563924 /nfs/dbraw/zinc/56/39/24/1268563924.db2.gz HYRVHFYMOFESBS-GPANFISMSA-N 2 2 353.463 0.241 20 0 FCADLP O=C([C@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH+](C2CCCC2)CC1 ZINC001553064924 1268586159 /nfs/dbraw/zinc/58/61/59/1268586159.db2.gz PDXCMIKFHNZIML-QZTJIDSGSA-N 2 2 351.491 0.953 20 0 FCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)CC2)cn1 ZINC001553405766 1268645533 /nfs/dbraw/zinc/64/55/33/1268645533.db2.gz DEBFEUWEKNDBOA-SQNIBIBYSA-N 2 2 361.490 0.847 20 0 FCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)CC2)cn1 ZINC001553405766 1268645543 /nfs/dbraw/zinc/64/55/43/1268645543.db2.gz DEBFEUWEKNDBOA-SQNIBIBYSA-N 2 2 361.490 0.847 20 0 FCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)CC2)cn1 ZINC001553405761 1268645690 /nfs/dbraw/zinc/64/56/90/1268645690.db2.gz DEBFEUWEKNDBOA-OKZBNKHCSA-N 2 2 361.490 0.847 20 0 FCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)CC2)cn1 ZINC001553405761 1268645696 /nfs/dbraw/zinc/64/56/96/1268645696.db2.gz DEBFEUWEKNDBOA-OKZBNKHCSA-N 2 2 361.490 0.847 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553414786 1268647523 /nfs/dbraw/zinc/64/75/23/1268647523.db2.gz SIVXWAHBMJSTHR-LTIDMASMSA-N 2 2 359.474 0.228 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1 ZINC001553428090 1268649370 /nfs/dbraw/zinc/64/93/70/1268649370.db2.gz UTLBKXMBPVTMIH-MAUKXSAKSA-N 2 2 354.495 0.494 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450231 1268653545 /nfs/dbraw/zinc/65/35/45/1268653545.db2.gz ITFIGLJHLBAEOG-DOTOQJQBSA-N 3 2 365.522 0.223 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450231 1268653553 /nfs/dbraw/zinc/65/35/53/1268653553.db2.gz ITFIGLJHLBAEOG-DOTOQJQBSA-N 3 2 365.522 0.223 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001553741325 1268694577 /nfs/dbraw/zinc/69/45/77/1268694577.db2.gz HABNTGNMAAYOHO-PBHICJAKSA-N 2 2 367.413 0.887 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)nn1 ZINC001554035132 1268745415 /nfs/dbraw/zinc/74/54/15/1268745415.db2.gz AUZIXQYHBNYBSU-UKRRQHHQSA-N 2 2 355.402 0.575 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001341097466 1268782947 /nfs/dbraw/zinc/78/29/47/1268782947.db2.gz LZBJHQARBPCZGT-BBWFWOEESA-N 2 2 364.494 0.790 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001341097466 1268782950 /nfs/dbraw/zinc/78/29/50/1268782950.db2.gz LZBJHQARBPCZGT-BBWFWOEESA-N 2 2 364.494 0.790 20 0 FCADLP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001341578150 1269092210 /nfs/dbraw/zinc/09/22/10/1269092210.db2.gz ABPFOLJRUQIFJU-HNNXBMFYSA-N 2 2 356.430 0.623 20 0 FCADLP C[C@H](O)CC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342134534 1269364882 /nfs/dbraw/zinc/36/48/82/1269364882.db2.gz HXVRKFRUVGWIMU-GJZGRUSLSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@H](O)CC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342134534 1269364895 /nfs/dbraw/zinc/36/48/95/1269364895.db2.gz HXVRKFRUVGWIMU-GJZGRUSLSA-N 2 2 368.522 0.184 20 0 FCADLP CN(CC(C)(C)C[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001570684270 1269905588 /nfs/dbraw/zinc/90/55/88/1269905588.db2.gz PQOQDGISWUJRQY-KFWWJZLASA-N 2 2 361.490 0.829 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001343963399 1270063306 /nfs/dbraw/zinc/06/33/06/1270063306.db2.gz SSEABJNOUPRSNC-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001572957045 1270406789 /nfs/dbraw/zinc/40/67/89/1270406789.db2.gz LDORWHUQRJDNGF-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001572957045 1270406792 /nfs/dbraw/zinc/40/67/92/1270406792.db2.gz LDORWHUQRJDNGF-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001573071257 1270593364 /nfs/dbraw/zinc/59/33/64/1270593364.db2.gz AVTAFFLOAYKPQH-NVXWUHKLSA-N 2 2 359.474 0.888 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c(N(C)CC2C[NH2+]C2)nnc1C(C)(C)C ZINC001573654994 1270848909 /nfs/dbraw/zinc/84/89/09/1270848909.db2.gz QCRPSZXRDQOIJO-AWEZNQCLSA-N 2 2 350.511 0.952 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c(N(C)CC2C[NH2+]C2)nnc1C(C)(C)C ZINC001573654994 1270848921 /nfs/dbraw/zinc/84/89/21/1270848921.db2.gz QCRPSZXRDQOIJO-AWEZNQCLSA-N 2 2 350.511 0.952 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574671060 1271473912 /nfs/dbraw/zinc/47/39/12/1271473912.db2.gz ITLLPBGFJHLGLB-LBPRGKRZSA-N 2 2 355.406 0.277 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001574780062 1271513408 /nfs/dbraw/zinc/51/34/08/1271513408.db2.gz VPBMTTDSCBUXMS-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001574780062 1271513418 /nfs/dbraw/zinc/51/34/18/1271513418.db2.gz VPBMTTDSCBUXMS-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001574780063 1271514446 /nfs/dbraw/zinc/51/44/46/1271514446.db2.gz VPBMTTDSCBUXMS-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001574780063 1271514451 /nfs/dbraw/zinc/51/44/51/1271514451.db2.gz VPBMTTDSCBUXMS-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CC(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574890615 1271652289 /nfs/dbraw/zinc/65/22/89/1271652289.db2.gz QMTVMGUVSPSDPO-NWDGAFQWSA-N 2 2 355.406 0.448 20 0 FCADLP C[C@H](CC(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574889376 1271652634 /nfs/dbraw/zinc/65/26/34/1271652634.db2.gz NEFRJASZTHNFKO-QWHCGFSZSA-N 2 2 369.433 0.696 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575114890 1271725739 /nfs/dbraw/zinc/72/57/39/1271725739.db2.gz KXVRNVZMJSWODZ-XJKSGUPXSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575114890 1271725744 /nfs/dbraw/zinc/72/57/44/1271725744.db2.gz KXVRNVZMJSWODZ-XJKSGUPXSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575384877 1272028429 /nfs/dbraw/zinc/02/84/29/1272028429.db2.gz KPMCEHOMBAYUGZ-NWDGAFQWSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001575390711 1272038122 /nfs/dbraw/zinc/03/81/22/1272038122.db2.gz CMEWWRPBVYISIH-NEPJUHHUSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@H](C[NH3+])Cn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001575990803 1272654619 /nfs/dbraw/zinc/65/46/19/1272654619.db2.gz JWIGMTMQVOLRKL-CQSZACIVSA-N 2 2 362.482 0.042 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576018525 1272717378 /nfs/dbraw/zinc/71/73/78/1272717378.db2.gz HOORQWOSVOJRHA-BBRMVZONSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576065296 1272818932 /nfs/dbraw/zinc/81/89/32/1272818932.db2.gz LCTUMLITLKAQOE-HRCADAONSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122544 1272914677 /nfs/dbraw/zinc/91/46/77/1272914677.db2.gz DNVVLCWCBGCFMN-YJBOKZPZSA-N 2 2 356.474 0.916 20 0 FCADLP C[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122544 1272914680 /nfs/dbraw/zinc/91/46/80/1272914680.db2.gz DNVVLCWCBGCFMN-YJBOKZPZSA-N 2 2 356.474 0.916 20 0 FCADLP C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC001576201498 1272988662 /nfs/dbraw/zinc/98/86/62/1272988662.db2.gz VRIABHQOUCZJNK-DIECFANBSA-N 2 2 354.495 0.633 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576271372 1273072887 /nfs/dbraw/zinc/07/28/87/1273072887.db2.gz RLIVAWFEFGUDHZ-CJNGLKHVSA-N 2 2 366.429 0.700 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001576334649 1273153590 /nfs/dbraw/zinc/15/35/90/1273153590.db2.gz XXQQUNVPJWEOJN-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001576334649 1273153594 /nfs/dbraw/zinc/15/35/94/1273153594.db2.gz XXQQUNVPJWEOJN-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP CCC(=O)N1CC[C@@H]([NH+]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576427635 1273253604 /nfs/dbraw/zinc/25/36/04/1273253604.db2.gz MKMQSHXDRXXMEK-CQSZACIVSA-N 2 2 370.461 0.703 20 0 FCADLP CC[C@H](C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[NH+](C)C ZINC001576436999 1273267230 /nfs/dbraw/zinc/26/72/30/1273267230.db2.gz DZMUOIGTWTUXFY-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576491494 1273346164 /nfs/dbraw/zinc/34/61/64/1273346164.db2.gz BNTMPWHGYWSSEZ-INIZCTEOSA-N 2 2 357.462 0.851 20 0 FCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576506014 1273374354 /nfs/dbraw/zinc/37/43/54/1273374354.db2.gz LPRBTNAVJDWJIA-GFCCVEGCSA-N 2 2 351.480 0.816 20 0 FCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576506014 1273374361 /nfs/dbraw/zinc/37/43/61/1273374361.db2.gz LPRBTNAVJDWJIA-GFCCVEGCSA-N 2 2 351.480 0.816 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576557594 1273436206 /nfs/dbraw/zinc/43/62/06/1273436206.db2.gz RTRPNDZZEVDKHV-OAHLLOKOSA-N 2 2 350.467 0.386 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576557594 1273436209 /nfs/dbraw/zinc/43/62/09/1273436209.db2.gz RTRPNDZZEVDKHV-OAHLLOKOSA-N 2 2 350.467 0.386 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCOCC2)C1 ZINC001576748217 1273619933 /nfs/dbraw/zinc/61/99/33/1273619933.db2.gz VGTYTVFBTKKFPU-GOEBONIOSA-N 2 2 364.494 0.680 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCOCC2)C1 ZINC001576748217 1273619942 /nfs/dbraw/zinc/61/99/42/1273619942.db2.gz VGTYTVFBTKKFPU-GOEBONIOSA-N 2 2 364.494 0.680 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NCCC2CC[NH+](Cc3cnn[nH]3)CC2)cn1 ZINC001576750448 1273621598 /nfs/dbraw/zinc/62/15/98/1273621598.db2.gz PXPMLTWWDALURM-UHFFFAOYSA-N 2 2 374.493 0.595 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NCCC2CC[NH+](Cc3c[nH]nn3)CC2)cn1 ZINC001576750448 1273621610 /nfs/dbraw/zinc/62/16/10/1273621610.db2.gz PXPMLTWWDALURM-UHFFFAOYSA-N 2 2 374.493 0.595 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576808184 1273720888 /nfs/dbraw/zinc/72/08/88/1273720888.db2.gz ZYEADQLSERCDEX-UONOGXRCSA-N 2 2 358.483 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576808184 1273720891 /nfs/dbraw/zinc/72/08/91/1273720891.db2.gz ZYEADQLSERCDEX-UONOGXRCSA-N 2 2 358.483 0.408 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C ZINC001576807843 1273721734 /nfs/dbraw/zinc/72/17/34/1273721734.db2.gz WKXZCIIUZBONEN-KGLIPLIRSA-N 2 2 358.483 0.326 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C ZINC001576807843 1273721735 /nfs/dbraw/zinc/72/17/35/1273721735.db2.gz WKXZCIIUZBONEN-KGLIPLIRSA-N 2 2 358.483 0.326 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576835627 1273766282 /nfs/dbraw/zinc/76/62/82/1273766282.db2.gz DPKPSAIIPQOXPG-ZDUSSCGKSA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576836054 1273768304 /nfs/dbraw/zinc/76/83/04/1273768304.db2.gz WEUWTGVBWGMZOB-HNNXBMFYSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC001576837849 1273774005 /nfs/dbraw/zinc/77/40/05/1273774005.db2.gz MJMZVOBAWXFLCR-OWCLPIDISA-N 2 2 364.494 0.301 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@H]1CCOC1 ZINC001576860748 1273823759 /nfs/dbraw/zinc/82/37/59/1273823759.db2.gz LIBSRZZFXRRFJI-JONQDZQNSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@H]1CCOC1 ZINC001576860748 1273823764 /nfs/dbraw/zinc/82/37/64/1273823764.db2.gz LIBSRZZFXRRFJI-JONQDZQNSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576862839 1273826952 /nfs/dbraw/zinc/82/69/52/1273826952.db2.gz WGYHFFLCQUUUCM-RRFJBIMHSA-N 2 2 350.467 0.388 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576862839 1273826954 /nfs/dbraw/zinc/82/69/54/1273826954.db2.gz WGYHFFLCQUUUCM-RRFJBIMHSA-N 2 2 350.467 0.388 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001576889186 1273880682 /nfs/dbraw/zinc/88/06/82/1273880682.db2.gz JGYHAPHNWLCHOT-QGZVFWFLSA-N 2 2 362.478 0.338 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N(Cc2cn[nH]n2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001576889186 1273880686 /nfs/dbraw/zinc/88/06/86/1273880686.db2.gz JGYHAPHNWLCHOT-QGZVFWFLSA-N 2 2 362.478 0.338 20 0 FCADLP CCC1([NH3+])CCN(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001577227965 1274265546 /nfs/dbraw/zinc/26/55/46/1274265546.db2.gz SANMXAPAEUSSME-GOSISDBHSA-N 2 2 354.495 0.515 20 0 FCADLP CCC1([NH3+])CCN(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001577227965 1274265551 /nfs/dbraw/zinc/26/55/51/1274265551.db2.gz SANMXAPAEUSSME-GOSISDBHSA-N 2 2 354.495 0.515 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577547387 1274485392 /nfs/dbraw/zinc/48/53/92/1274485392.db2.gz KTHOCAZHYMUVLD-CYBMUJFWSA-N 2 2 358.450 0.641 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577547387 1274485394 /nfs/dbraw/zinc/48/53/94/1274485394.db2.gz KTHOCAZHYMUVLD-CYBMUJFWSA-N 2 2 358.450 0.641 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCc3cn[nH]n3)C1)CC2 ZINC001577572405 1274536270 /nfs/dbraw/zinc/53/62/70/1274536270.db2.gz UCIWENDABDUJBN-HZPDHXFCSA-N 2 2 371.489 0.943 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCc3c[nH]nn3)C1)CC2 ZINC001577572405 1274536271 /nfs/dbraw/zinc/53/62/71/1274536271.db2.gz UCIWENDABDUJBN-HZPDHXFCSA-N 2 2 371.489 0.943 20 0 FCADLP CCCN(CCNC(=O)C[N@H+](C)C(C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577606890 1274579881 /nfs/dbraw/zinc/57/98/81/1274579881.db2.gz YEYHEHOBDBYSRQ-UHFFFAOYSA-N 2 2 360.466 0.935 20 0 FCADLP CCCN(CCNC(=O)C[N@@H+](C)C(C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577606890 1274579888 /nfs/dbraw/zinc/57/98/88/1274579888.db2.gz YEYHEHOBDBYSRQ-UHFFFAOYSA-N 2 2 360.466 0.935 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001577805007 1274908307 /nfs/dbraw/zinc/90/83/07/1274908307.db2.gz GPCSFEQHVKJAHY-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001577805007 1274908311 /nfs/dbraw/zinc/90/83/11/1274908311.db2.gz GPCSFEQHVKJAHY-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnn[nH]1 ZINC001577873041 1275064418 /nfs/dbraw/zinc/06/44/18/1275064418.db2.gz TXIKQRVHMUHEIK-ZBFHGGJFSA-N 2 2 350.467 0.292 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577898771 1275110357 /nfs/dbraw/zinc/11/03/57/1275110357.db2.gz HPRCUCBWWOJOLF-VIKVFOODSA-N 2 2 356.434 0.154 20 0 FCADLP CCN(CCNC(=O)Cn1c[nH+]cc1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578045869 1275334826 /nfs/dbraw/zinc/33/48/26/1275334826.db2.gz SGLYXOVPTZNEBF-UHFFFAOYSA-N 2 2 355.406 0.409 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001578194975 1275485977 /nfs/dbraw/zinc/48/59/77/1275485977.db2.gz SMEAALWOCQDCCE-DOMZBBRYSA-N 2 2 358.450 0.687 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001578194975 1275485981 /nfs/dbraw/zinc/48/59/81/1275485981.db2.gz SMEAALWOCQDCCE-DOMZBBRYSA-N 2 2 358.450 0.687 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578445151 1275834749 /nfs/dbraw/zinc/83/47/49/1275834749.db2.gz HTKQMZQBCUQXMA-SFHVURJKSA-N 2 2 355.479 0.629 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578525018 1275958193 /nfs/dbraw/zinc/95/81/93/1275958193.db2.gz MJXOMTIEPDDZJG-IRXDYDNUSA-N 3 2 352.523 0.900 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578525018 1275958199 /nfs/dbraw/zinc/95/81/99/1275958199.db2.gz MJXOMTIEPDDZJG-IRXDYDNUSA-N 3 2 352.523 0.900 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)CC1 ZINC001578533173 1275962938 /nfs/dbraw/zinc/96/29/38/1275962938.db2.gz UBUFLGDUALBXMR-TZMCWYRMSA-N 2 2 352.385 0.853 20 0 FCADLP C[NH2+]CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001578730420 1276206840 /nfs/dbraw/zinc/20/68/40/1276206840.db2.gz DITQAIOQSLGELM-OAHLLOKOSA-N 2 2 372.477 0.774 20 0 FCADLP COC(=O)Cn1cc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)nn1 ZINC001578819617 1276318657 /nfs/dbraw/zinc/31/86/57/1276318657.db2.gz BDXLJJPUMVHLIS-IAGOWNOFSA-N 2 2 361.421 0.868 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578883613 1276414484 /nfs/dbraw/zinc/41/44/84/1276414484.db2.gz SKMZVTZXXKPBRQ-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578883613 1276414489 /nfs/dbraw/zinc/41/44/89/1276414489.db2.gz SKMZVTZXXKPBRQ-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578886685 1276420205 /nfs/dbraw/zinc/42/02/05/1276420205.db2.gz BPJRTNPXVBZHIG-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578886685 1276420208 /nfs/dbraw/zinc/42/02/08/1276420208.db2.gz BPJRTNPXVBZHIG-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578980142 1276540289 /nfs/dbraw/zinc/54/02/89/1276540289.db2.gz BKYLJGQUFYRMLA-CYBMUJFWSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578980142 1276540292 /nfs/dbraw/zinc/54/02/92/1276540292.db2.gz BKYLJGQUFYRMLA-CYBMUJFWSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578981268 1276541925 /nfs/dbraw/zinc/54/19/25/1276541925.db2.gz WHPBATRQMSZUSZ-CYBMUJFWSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578981268 1276541927 /nfs/dbraw/zinc/54/19/27/1276541927.db2.gz WHPBATRQMSZUSZ-CYBMUJFWSA-N 2 2 361.425 0.648 20 0 FCADLP C[N@H+](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007273 1276580356 /nfs/dbraw/zinc/58/03/56/1276580356.db2.gz SAESWTDDTKZNAV-CYBMUJFWSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@@H+](CC(=O)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007273 1276580369 /nfs/dbraw/zinc/58/03/69/1276580369.db2.gz SAESWTDDTKZNAV-CYBMUJFWSA-N 2 2 370.461 0.571 20 0 FCADLP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579019261 1276598121 /nfs/dbraw/zinc/59/81/21/1276598121.db2.gz WOZZESQKZVWHBV-OAHLLOKOSA-N 2 2 372.477 0.674 20 0 FCADLP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579019261 1276598131 /nfs/dbraw/zinc/59/81/31/1276598131.db2.gz WOZZESQKZVWHBV-OAHLLOKOSA-N 2 2 372.477 0.674 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579085041 1276716455 /nfs/dbraw/zinc/71/64/55/1276716455.db2.gz GGJYQSBEZOSPSF-AWEZNQCLSA-N 2 2 370.461 0.642 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)C[NH+]1CCCC1 ZINC001579134627 1276836152 /nfs/dbraw/zinc/83/61/52/1276836152.db2.gz YDKOVLYGCPELJS-UHFFFAOYSA-N 2 2 363.491 0.914 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)C[NH+]1CCCC1 ZINC001579134627 1276836168 /nfs/dbraw/zinc/83/61/68/1276836168.db2.gz YDKOVLYGCPELJS-UHFFFAOYSA-N 2 2 363.491 0.914 20 0 FCADLP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169959 1276924379 /nfs/dbraw/zinc/92/43/79/1276924379.db2.gz VNPYRBBJHJVHQB-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169959 1276924383 /nfs/dbraw/zinc/92/43/83/1276924383.db2.gz VNPYRBBJHJVHQB-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169959 1276924389 /nfs/dbraw/zinc/92/43/89/1276924389.db2.gz VNPYRBBJHJVHQB-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169959 1276924403 /nfs/dbraw/zinc/92/44/03/1276924403.db2.gz VNPYRBBJHJVHQB-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccccc1-c1nn[nH]n1 ZINC001579180561 1276946942 /nfs/dbraw/zinc/94/69/42/1276946942.db2.gz PAWCGQVGWBUIBR-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccccc1-c1nn[nH]n1 ZINC001579180561 1276946947 /nfs/dbraw/zinc/94/69/47/1276946947.db2.gz PAWCGQVGWBUIBR-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP COc1cc[nH+]cc1Cn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579319985 1277135699 /nfs/dbraw/zinc/13/56/99/1277135699.db2.gz ZRVOPBXXYFCECR-CYBMUJFWSA-N 2 2 352.402 0.724 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333908 1277169260 /nfs/dbraw/zinc/16/92/60/1277169260.db2.gz AKZRVYBVPYBZSI-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333908 1277169262 /nfs/dbraw/zinc/16/92/62/1277169262.db2.gz AKZRVYBVPYBZSI-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333908 1277169266 /nfs/dbraw/zinc/16/92/66/1277169266.db2.gz AKZRVYBVPYBZSI-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333908 1277169269 /nfs/dbraw/zinc/16/92/69/1277169269.db2.gz AKZRVYBVPYBZSI-UONOGXRCSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334452 1277170187 /nfs/dbraw/zinc/17/01/87/1277170187.db2.gz FECITRICGYASOK-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334452 1277170193 /nfs/dbraw/zinc/17/01/93/1277170193.db2.gz FECITRICGYASOK-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334452 1277170197 /nfs/dbraw/zinc/17/01/97/1277170197.db2.gz FECITRICGYASOK-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334452 1277170204 /nfs/dbraw/zinc/17/02/04/1277170204.db2.gz FECITRICGYASOK-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001579353280 1277212611 /nfs/dbraw/zinc/21/26/11/1277212611.db2.gz HPIZJDOOWLXPHJ-INIZCTEOSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001579353280 1277212614 /nfs/dbraw/zinc/21/26/14/1277212614.db2.gz HPIZJDOOWLXPHJ-INIZCTEOSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356480 1277220132 /nfs/dbraw/zinc/22/01/32/1277220132.db2.gz KUBSJSWEYLMPLN-PBHICJAKSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356480 1277220134 /nfs/dbraw/zinc/22/01/34/1277220134.db2.gz KUBSJSWEYLMPLN-PBHICJAKSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358836 1277228652 /nfs/dbraw/zinc/22/86/52/1277228652.db2.gz KNABKXJBIHNITO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358836 1277228653 /nfs/dbraw/zinc/22/86/53/1277228653.db2.gz KNABKXJBIHNITO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358836 1277228654 /nfs/dbraw/zinc/22/86/54/1277228654.db2.gz KNABKXJBIHNITO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358836 1277228658 /nfs/dbraw/zinc/22/86/58/1277228658.db2.gz KNABKXJBIHNITO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359203 1277231656 /nfs/dbraw/zinc/23/16/56/1277231656.db2.gz QALYAJDAIYBHNR-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359203 1277231657 /nfs/dbraw/zinc/23/16/57/1277231657.db2.gz QALYAJDAIYBHNR-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368852 1277250392 /nfs/dbraw/zinc/25/03/92/1277250392.db2.gz LVHQNBXDMSTUKA-DVOMOZLQSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368852 1277250394 /nfs/dbraw/zinc/25/03/94/1277250394.db2.gz LVHQNBXDMSTUKA-DVOMOZLQSA-N 2 2 370.461 0.475 20 0 FCADLP Cc1cc(NC(=O)[C@@]23C[NH2+]C[C@@H]2CS(=O)(=O)C3)ccc1-n1cc[nH+]c1 ZINC001579632904 1277691652 /nfs/dbraw/zinc/69/16/52/1277691652.db2.gz QHYKFVCLZXXDPF-CXAGYDPISA-N 2 2 360.439 0.753 20 0 FCADLP COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1-c1nn[nH]n1 ZINC001580028565 1277996653 /nfs/dbraw/zinc/99/66/53/1277996653.db2.gz PZAGACDDUJJLSB-NSHDSACASA-N 2 2 370.417 0.435 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001580270156 1278063375 /nfs/dbraw/zinc/06/33/75/1278063375.db2.gz ITNZKIZTNSFXIR-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP Cc1cc(N2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580962280 1279166604 /nfs/dbraw/zinc/16/66/04/1279166604.db2.gz QRIUITXFNKNQOQ-CYBMUJFWSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1cc(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970851 1279171242 /nfs/dbraw/zinc/17/12/42/1279171242.db2.gz YKSQRADZHSCZMC-UHFFFAOYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580987765 1279185404 /nfs/dbraw/zinc/18/54/04/1279185404.db2.gz DOCHFIFPSREPRV-NEPJUHHUSA-N 2 2 369.433 0.502 20 0 FCADLP Cc1cc(N[C@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989079 1279190412 /nfs/dbraw/zinc/19/04/12/1279190412.db2.gz MKMVUOGAMBXGDK-NEPJUHHUSA-N 2 2 369.433 0.273 20 0 FCADLP Cc1cc(N[C@@H](C)CNC(=O)CCc2[nH+]ccn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995437 1279205581 /nfs/dbraw/zinc/20/55/81/1279205581.db2.gz HNWUVXVQZDPIET-LBPRGKRZSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1cc(NC[C@@H](C)NC(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030785 1279267573 /nfs/dbraw/zinc/26/75/73/1279267573.db2.gz NUAADEONKCXRPD-CYBMUJFWSA-N 2 2 369.433 0.586 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581038952 1279276005 /nfs/dbraw/zinc/27/60/05/1279276005.db2.gz GSKXRNIMXQRCBG-JOCQHMNTSA-N 2 2 367.417 0.256 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001715233313 1287347485 /nfs/dbraw/zinc/34/74/85/1287347485.db2.gz SMSPMDUTYLZQIE-UMVBOHGHSA-N 2 2 360.462 0.205 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001715233313 1287347488 /nfs/dbraw/zinc/34/74/88/1287347488.db2.gz SMSPMDUTYLZQIE-UMVBOHGHSA-N 2 2 360.462 0.205 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581338118 1279715562 /nfs/dbraw/zinc/71/55/62/1279715562.db2.gz CQNMDSZCFDUCMM-UHFFFAOYSA-N 2 2 366.429 0.620 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581338122 1279718118 /nfs/dbraw/zinc/71/81/18/1279718118.db2.gz CZMHBRFECUKCHD-ZDUSSCGKSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001581340277 1279722784 /nfs/dbraw/zinc/72/27/84/1279722784.db2.gz PDHWRHXGYOTQFA-UHFFFAOYSA-N 2 2 367.417 0.340 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340343 1279722976 /nfs/dbraw/zinc/72/29/76/1279722976.db2.gz PPRSFYSSLJAFAJ-GFCCVEGCSA-N 2 2 369.433 0.586 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562456 1280137760 /nfs/dbraw/zinc/13/77/60/1280137760.db2.gz VCVBBINQXKNDRN-LLVKDONJSA-N 2 2 355.406 0.148 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581563465 1280139129 /nfs/dbraw/zinc/13/91/29/1280139129.db2.gz NHBLBOZAPXZMDP-JTQLQIEISA-N 2 2 360.447 0.728 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581563466 1280139684 /nfs/dbraw/zinc/13/96/84/1280139684.db2.gz NHBLBOZAPXZMDP-SNVBAGLBSA-N 2 2 360.447 0.728 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563850 1280142001 /nfs/dbraw/zinc/14/20/01/1280142001.db2.gz SSAPAMFXFQIHAT-KRWDZBQOSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581565436 1280145937 /nfs/dbraw/zinc/14/59/37/1280145937.db2.gz QYGCXAZXAZAWMN-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581565436 1280145940 /nfs/dbraw/zinc/14/59/40/1280145940.db2.gz QYGCXAZXAZAWMN-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581565549 1280146675 /nfs/dbraw/zinc/14/66/75/1280146675.db2.gz YGSGMVKKRMAKEP-SNVBAGLBSA-N 2 2 360.447 0.728 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581565873 1280148388 /nfs/dbraw/zinc/14/83/88/1280148388.db2.gz APYKSZWXBLEKNZ-LBPRGKRZSA-N 2 2 369.433 0.586 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001717122103 1287408138 /nfs/dbraw/zinc/40/81/38/1287408138.db2.gz YWFSGQMXTWJWOZ-RFBLXINOSA-N 2 2 350.463 0.785 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001717122103 1287408143 /nfs/dbraw/zinc/40/81/43/1287408143.db2.gz YWFSGQMXTWJWOZ-RFBLXINOSA-N 2 2 350.463 0.785 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581799937 1280528266 /nfs/dbraw/zinc/52/82/66/1280528266.db2.gz ASHNBVFIDBJVQX-HNNXBMFYSA-N 2 2 354.418 0.456 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581814961 1280561389 /nfs/dbraw/zinc/56/13/89/1280561389.db2.gz MKIKVDBOEVMKDT-GFCCVEGCSA-N 2 2 367.417 0.323 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581817641 1280563339 /nfs/dbraw/zinc/56/33/39/1280563339.db2.gz JREQSEVAYVKUSW-HAQNSBGRSA-N 2 2 367.417 0.109 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582088937 1281041677 /nfs/dbraw/zinc/04/16/77/1281041677.db2.gz OPMJOVBXYFEUDW-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582088937 1281041685 /nfs/dbraw/zinc/04/16/85/1281041685.db2.gz OPMJOVBXYFEUDW-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001582099066 1281054324 /nfs/dbraw/zinc/05/43/24/1281054324.db2.gz IATWGKYDGSSEQY-XMQYKBBCSA-N 2 2 368.445 0.156 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099350 1281055639 /nfs/dbraw/zinc/05/56/39/1281055639.db2.gz PQUFCNZXSKWRFT-UONOGXRCSA-N 2 2 370.461 0.619 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582101012 1281057924 /nfs/dbraw/zinc/05/79/24/1281057924.db2.gz ZKLXYCUJAHJTFH-UHFFFAOYSA-N 2 2 370.461 0.690 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582170240 1281138508 /nfs/dbraw/zinc/13/85/08/1281138508.db2.gz RJZWJGBGIOFCHY-UHFFFAOYSA-N 2 2 352.402 0.571 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183674 1281162151 /nfs/dbraw/zinc/16/21/51/1281162151.db2.gz BRLVXHAATIDSHL-XBXGTLAGSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582183777 1281162649 /nfs/dbraw/zinc/16/26/49/1281162649.db2.gz ICOOMFVTYOKHRI-BETUJISGSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582195146 1281175294 /nfs/dbraw/zinc/17/52/94/1281175294.db2.gz MULKVAMXRBBWRC-CYBMUJFWSA-N 2 2 367.417 0.231 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582196495 1281178029 /nfs/dbraw/zinc/17/80/29/1281178029.db2.gz MCVWGEWBRZRKAH-UHFFFAOYSA-N 2 2 352.402 0.502 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582196738 1281179224 /nfs/dbraw/zinc/17/92/24/1281179224.db2.gz SQUSYQAHTPZPBY-INIZCTEOSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197542 1281181858 /nfs/dbraw/zinc/18/18/58/1281181858.db2.gz SRIGVFPXMSZBKM-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197542 1281181860 /nfs/dbraw/zinc/18/18/60/1281181860.db2.gz SRIGVFPXMSZBKM-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582197695 1281182247 /nfs/dbraw/zinc/18/22/47/1281182247.db2.gz WFEHCUQDSHCMOF-ZDUSSCGKSA-N 2 2 367.417 0.491 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001632255358 1282165349 /nfs/dbraw/zinc/16/53/49/1282165349.db2.gz AMOFUOPDDJOBIQ-QFBILLFUSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001632255358 1282165355 /nfs/dbraw/zinc/16/53/55/1282165355.db2.gz AMOFUOPDDJOBIQ-QFBILLFUSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001632255358 1282165359 /nfs/dbraw/zinc/16/53/59/1282165359.db2.gz AMOFUOPDDJOBIQ-QFBILLFUSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001632255358 1282165367 /nfs/dbraw/zinc/16/53/67/1282165367.db2.gz AMOFUOPDDJOBIQ-QFBILLFUSA-N 2 2 372.425 0.247 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001589827052 1283063463 /nfs/dbraw/zinc/06/34/63/1283063463.db2.gz PGJQSRBVYBHMNC-LLVKDONJSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H](O)[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC001589994608 1283162532 /nfs/dbraw/zinc/16/25/32/1283162532.db2.gz GVNXIMVPFHEJRB-WBMJQRKESA-N 2 2 369.429 0.279 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590173022 1283274829 /nfs/dbraw/zinc/27/48/29/1283274829.db2.gz CCJBCOIDTHWLQS-WBMJQRKESA-N 2 2 366.429 0.912 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604495814 1287647917 /nfs/dbraw/zinc/64/79/17/1287647917.db2.gz ZSJQAVWVXNFWCK-LZWOXQAQSA-N 2 2 370.461 0.829 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604495814 1287647923 /nfs/dbraw/zinc/64/79/23/1287647923.db2.gz ZSJQAVWVXNFWCK-LZWOXQAQSA-N 2 2 370.461 0.829 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001682725282 1283761555 /nfs/dbraw/zinc/76/15/55/1283761555.db2.gz JACBWVKPKLIHFM-KBAYOESNSA-N 2 2 368.522 0.848 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001682725282 1283761559 /nfs/dbraw/zinc/76/15/59/1283761559.db2.gz JACBWVKPKLIHFM-KBAYOESNSA-N 2 2 368.522 0.848 20 0 FCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1(C)C ZINC001591010237 1284070689 /nfs/dbraw/zinc/07/06/89/1284070689.db2.gz UJBPJMMOBAAGNH-DAXOMENPSA-N 2 2 360.462 0.925 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@H]21 ZINC001591024341 1284082632 /nfs/dbraw/zinc/08/26/32/1284082632.db2.gz DNAMWBVMIAAEGZ-TWMKSMIVSA-N 2 2 367.457 0.854 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@H]21 ZINC001591024341 1284082640 /nfs/dbraw/zinc/08/26/40/1284082640.db2.gz DNAMWBVMIAAEGZ-TWMKSMIVSA-N 2 2 367.457 0.854 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001591045083 1284104242 /nfs/dbraw/zinc/10/42/42/1284104242.db2.gz FWRCBGHFNHOVQW-KRWDZBQOSA-N 2 2 372.473 0.917 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001591045083 1284104245 /nfs/dbraw/zinc/10/42/45/1284104245.db2.gz FWRCBGHFNHOVQW-KRWDZBQOSA-N 2 2 372.473 0.917 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591187039 1284298620 /nfs/dbraw/zinc/29/86/20/1284298620.db2.gz GWZFXBRCLWGQIQ-ZUEPYMLJSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591187039 1284298632 /nfs/dbraw/zinc/29/86/32/1284298632.db2.gz GWZFXBRCLWGQIQ-ZUEPYMLJSA-N 2 2 370.461 0.617 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(-c4nn[nH]n4)cs3)cn2)CC1 ZINC001591192369 1284311478 /nfs/dbraw/zinc/31/14/78/1284311478.db2.gz IFHZVIUXORRMCN-UHFFFAOYSA-N 2 2 371.474 0.760 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001591748860 1284874425 /nfs/dbraw/zinc/87/44/25/1284874425.db2.gz VCOBLMMOFPIHKZ-KYOSRNDESA-N 2 2 356.434 0.297 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001591748860 1284874436 /nfs/dbraw/zinc/87/44/36/1284874436.db2.gz VCOBLMMOFPIHKZ-KYOSRNDESA-N 2 2 356.434 0.297 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001591764659 1284890512 /nfs/dbraw/zinc/89/05/12/1284890512.db2.gz YOLRHQXAPPMZCC-SNVBAGLBSA-N 2 2 363.385 0.790 20 0 FCADLP Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592043051 1285083170 /nfs/dbraw/zinc/08/31/70/1285083170.db2.gz XKWBMPZOVHSQIX-INIZCTEOSA-N 2 2 361.475 0.612 20 0 FCADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001592242169 1285198812 /nfs/dbraw/zinc/19/88/12/1285198812.db2.gz XZEQTNNNSPPCLM-QWHCGFSZSA-N 2 2 351.414 0.979 20 0 FCADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001592242169 1285198818 /nfs/dbraw/zinc/19/88/18/1285198818.db2.gz XZEQTNNNSPPCLM-QWHCGFSZSA-N 2 2 351.414 0.979 20 0 FCADLP Cc1nc(-c2nn[nH]n2)cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001592338603 1285247782 /nfs/dbraw/zinc/24/77/82/1285247782.db2.gz JJUSSTTVUYBXHH-CQSZACIVSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1nc(-c2nn[nH]n2)cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001592338603 1285247789 /nfs/dbraw/zinc/24/77/89/1285247789.db2.gz JJUSSTTVUYBXHH-CQSZACIVSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592417079 1285341080 /nfs/dbraw/zinc/34/10/80/1285341080.db2.gz CBOOCVWFYUGJLN-UHFFFAOYSA-N 2 2 358.381 0.417 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001719122347 1287782524 /nfs/dbraw/zinc/78/25/24/1287782524.db2.gz VRMDNAQNEZDTTM-HZPDHXFCSA-N 2 2 362.474 0.650 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001719122347 1287782520 /nfs/dbraw/zinc/78/25/20/1287782520.db2.gz VRMDNAQNEZDTTM-HZPDHXFCSA-N 2 2 362.474 0.650 20 0 FCADLP O=C(CC[NH2+][C@H]1CCn2cc[nH+]c2C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001592844216 1285752944 /nfs/dbraw/zinc/75/29/44/1285752944.db2.gz VIPFKRJRBWLJGM-ZDUSSCGKSA-N 2 2 352.402 0.996 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001592860113 1285763190 /nfs/dbraw/zinc/76/31/90/1285763190.db2.gz GZCMHLHIZHLISH-UHFFFAOYSA-N 2 2 372.408 0.889 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001592935402 1285822063 /nfs/dbraw/zinc/82/20/63/1285822063.db2.gz CRUUVVPODQATEX-HALDLXJZSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001592935402 1285822077 /nfs/dbraw/zinc/82/20/77/1285822077.db2.gz CRUUVVPODQATEX-HALDLXJZSA-N 2 2 364.413 0.379 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001703958983 1286167160 /nfs/dbraw/zinc/16/71/60/1286167160.db2.gz NGPFKPPBPIEFHR-BZUAXINKSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001703958983 1286167165 /nfs/dbraw/zinc/16/71/65/1286167165.db2.gz NGPFKPPBPIEFHR-BZUAXINKSA-N 2 2 361.490 0.956 20 0 FCADLP c1ccc(C[N@@H+]2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001593574679 1286205387 /nfs/dbraw/zinc/20/53/87/1286205387.db2.gz ZBYZHBSXQILHDX-OAHLLOKOSA-N 2 2 351.414 0.997 20 0 FCADLP c1ccc(C[N@H+]2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001593574679 1286205391 /nfs/dbraw/zinc/20/53/91/1286205391.db2.gz ZBYZHBSXQILHDX-OAHLLOKOSA-N 2 2 351.414 0.997 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001704283514 1286214567 /nfs/dbraw/zinc/21/45/67/1286214567.db2.gz CVXGGABFPYCBHN-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001704283514 1286214576 /nfs/dbraw/zinc/21/45/76/1286214576.db2.gz CVXGGABFPYCBHN-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001704305144 1286219563 /nfs/dbraw/zinc/21/95/63/1286219563.db2.gz OYTKFNYOVCOFAC-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001704305144 1286219569 /nfs/dbraw/zinc/21/95/69/1286219569.db2.gz OYTKFNYOVCOFAC-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001705410208 1286387393 /nfs/dbraw/zinc/38/73/93/1286387393.db2.gz ZQOBDVYMEXRZCC-SPYBWZPUSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001605428803 1287959126 /nfs/dbraw/zinc/95/91/26/1287959126.db2.gz NAQRSVBGEHRKHX-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001605428803 1287959128 /nfs/dbraw/zinc/95/91/28/1287959128.db2.gz NAQRSVBGEHRKHX-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720978729 1288279266 /nfs/dbraw/zinc/27/92/66/1288279266.db2.gz BOEJFBLPJFYWAF-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720978729 1288279273 /nfs/dbraw/zinc/27/92/73/1288279273.db2.gz BOEJFBLPJFYWAF-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCCN(C)C1=O ZINC001731882752 1288570401 /nfs/dbraw/zinc/57/04/01/1288570401.db2.gz UAEAACXXBVNDTH-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCN(C)C1=O ZINC001731882752 1288570413 /nfs/dbraw/zinc/57/04/13/1288570413.db2.gz UAEAACXXBVNDTH-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CCCC1 ZINC001732398599 1288583579 /nfs/dbraw/zinc/58/35/79/1288583579.db2.gz ZLVOPROETLKRAH-RBSFLKMASA-N 2 2 359.474 0.773 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607094497 1288660138 /nfs/dbraw/zinc/66/01/38/1288660138.db2.gz LHDNVOFQFARFLA-CHWSQXEVSA-N 2 2 355.402 0.477 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001609592217 1289249598 /nfs/dbraw/zinc/24/95/98/1289249598.db2.gz WLUCTTBPIZZHQN-LBPRGKRZSA-N 2 2 373.442 0.511 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691889896 1289335535 /nfs/dbraw/zinc/33/55/35/1289335535.db2.gz MUUNLBJCXROQJU-ARFHVFGLSA-N 2 2 361.490 0.845 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)N(CC)CC ZINC001692015617 1289361868 /nfs/dbraw/zinc/36/18/68/1289361868.db2.gz DTHDLDOOUKHTGJ-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)N(CC)CC ZINC001692015617 1289361878 /nfs/dbraw/zinc/36/18/78/1289361878.db2.gz DTHDLDOOUKHTGJ-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C[NH2+]CC(N)=O ZINC001692038284 1289373317 /nfs/dbraw/zinc/37/33/17/1289373317.db2.gz SNUOSAGJONBDGL-NVXWUHKLSA-N 2 2 371.441 0.424 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001692037164 1289373883 /nfs/dbraw/zinc/37/38/83/1289373883.db2.gz VMXAVIIQENPXGF-KBAYOESNSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](CCO)Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001692037164 1289373891 /nfs/dbraw/zinc/37/38/91/1289373891.db2.gz VMXAVIIQENPXGF-KBAYOESNSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](CCO)Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001692037164 1289373906 /nfs/dbraw/zinc/37/39/06/1289373906.db2.gz VMXAVIIQENPXGF-KBAYOESNSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](CCO)Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001692037164 1289373919 /nfs/dbraw/zinc/37/39/19/1289373919.db2.gz VMXAVIIQENPXGF-KBAYOESNSA-N 2 2 363.506 0.546 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692086917 1289395765 /nfs/dbraw/zinc/39/57/65/1289395765.db2.gz SEHRVEXKLVFQQS-CABCVRRESA-N 2 2 354.476 0.098 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692086917 1289395778 /nfs/dbraw/zinc/39/57/78/1289395778.db2.gz SEHRVEXKLVFQQS-CABCVRRESA-N 2 2 354.476 0.098 20 0 FCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001692102898 1289400294 /nfs/dbraw/zinc/40/02/94/1289400294.db2.gz QQVRDQIJEYUYKR-KGLIPLIRSA-N 2 2 360.418 0.727 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001692148535 1289405390 /nfs/dbraw/zinc/40/53/90/1289405390.db2.gz OCYCYHUZJNGUQM-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC001692148535 1289405394 /nfs/dbraw/zinc/40/53/94/1289405394.db2.gz OCYCYHUZJNGUQM-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC(=O)NC(C)(C)C ZINC001692148535 1289405400 /nfs/dbraw/zinc/40/54/00/1289405400.db2.gz OCYCYHUZJNGUQM-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC(=O)NC(C)(C)C ZINC001692148535 1289405405 /nfs/dbraw/zinc/40/54/05/1289405405.db2.gz OCYCYHUZJNGUQM-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC001692389195 1289456758 /nfs/dbraw/zinc/45/67/58/1289456758.db2.gz VVQUCOGRTWZCEQ-PVAVHDDUSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC001692389195 1289456763 /nfs/dbraw/zinc/45/67/63/1289456763.db2.gz VVQUCOGRTWZCEQ-PVAVHDDUSA-N 2 2 366.506 0.202 20 0 FCADLP Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001612543894 1289684239 /nfs/dbraw/zinc/68/42/39/1289684239.db2.gz WMSNZPIIYRCHFH-KRWDZBQOSA-N 2 2 368.551 0.792 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001739385029 1289892469 /nfs/dbraw/zinc/89/24/69/1289892469.db2.gz LTKVOSQFANSLHY-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001739385029 1289892482 /nfs/dbraw/zinc/89/24/82/1289892482.db2.gz LTKVOSQFANSLHY-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001702328938 1290058273 /nfs/dbraw/zinc/05/82/73/1290058273.db2.gz LXYOJSLDFKKEIW-HUUCEWRRSA-N 2 2 365.478 0.272 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001702328938 1290058282 /nfs/dbraw/zinc/05/82/82/1290058282.db2.gz LXYOJSLDFKKEIW-HUUCEWRRSA-N 2 2 365.478 0.272 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001628224797 1290517526 /nfs/dbraw/zinc/51/75/26/1290517526.db2.gz KZMAEDQYZZOROO-VYDXJSESSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001628224797 1290517532 /nfs/dbraw/zinc/51/75/32/1290517532.db2.gz KZMAEDQYZZOROO-VYDXJSESSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001628224797 1290517540 /nfs/dbraw/zinc/51/75/40/1290517540.db2.gz KZMAEDQYZZOROO-VYDXJSESSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001628224797 1290517544 /nfs/dbraw/zinc/51/75/44/1290517544.db2.gz KZMAEDQYZZOROO-VYDXJSESSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)n1 ZINC001754445949 1290627702 /nfs/dbraw/zinc/62/77/02/1290627702.db2.gz ZVAQHBMZBKVLBC-BZUAXINKSA-N 2 2 357.462 0.906 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)n1 ZINC001754445949 1290627709 /nfs/dbraw/zinc/62/77/09/1290627709.db2.gz ZVAQHBMZBKVLBC-BZUAXINKSA-N 2 2 357.462 0.906 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC001756775885 1290664034 /nfs/dbraw/zinc/66/40/34/1290664034.db2.gz IRPSSJYWLLIGFK-RHSMWYFYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC=C(CNC(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC001756775885 1290664045 /nfs/dbraw/zinc/66/40/45/1290664045.db2.gz IRPSSJYWLLIGFK-RHSMWYFYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001631132670 1290716094 /nfs/dbraw/zinc/71/60/94/1290716094.db2.gz GFGWVTRTBILCGZ-INIZCTEOSA-N 2 2 374.485 0.981 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)CC[N@@H+]1C ZINC001759900597 1290870913 /nfs/dbraw/zinc/87/09/13/1290870913.db2.gz LEIBVOTVXFOSFQ-QLFBSQMISA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)CC[N@H+]1C ZINC001759900597 1290870927 /nfs/dbraw/zinc/87/09/27/1290870927.db2.gz LEIBVOTVXFOSFQ-QLFBSQMISA-N 2 2 359.474 0.551 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001676422622 1292203017 /nfs/dbraw/zinc/20/30/17/1292203017.db2.gz XRHKYKIBYUXODQ-YOEHRIQHSA-N 2 2 354.495 0.242 20 0 FCADLP CCCN1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000016 1292289370 /nfs/dbraw/zinc/28/93/70/1292289370.db2.gz XYQUHIABAHQZJS-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP CCCN1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000016 1292289378 /nfs/dbraw/zinc/28/93/78/1292289378.db2.gz XYQUHIABAHQZJS-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP CCCN1C[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000017 1292289420 /nfs/dbraw/zinc/28/94/20/1292289420.db2.gz XYQUHIABAHQZJS-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP CCCN1C[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000017 1292289431 /nfs/dbraw/zinc/28/94/31/1292289431.db2.gz XYQUHIABAHQZJS-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001688338219 1294482566 /nfs/dbraw/zinc/48/25/66/1294482566.db2.gz AJYVWPJHJGNOAS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001688338219 1294482571 /nfs/dbraw/zinc/48/25/71/1294482571.db2.gz AJYVWPJHJGNOAS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC001689086879 1294606483 /nfs/dbraw/zinc/60/64/83/1294606483.db2.gz ZKMIHZSOEGLDME-HLLBOEOZSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC001689086879 1294606485 /nfs/dbraw/zinc/60/64/85/1294606485.db2.gz ZKMIHZSOEGLDME-HLLBOEOZSA-N 2 2 361.490 0.703 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001689236847 1294699460 /nfs/dbraw/zinc/69/94/60/1294699460.db2.gz WBICXPPLFXDFIE-CVEARBPZSA-N 2 2 350.463 0.142 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001689236847 1294699466 /nfs/dbraw/zinc/69/94/66/1294699466.db2.gz WBICXPPLFXDFIE-CVEARBPZSA-N 2 2 350.463 0.142 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001689300119 1294726553 /nfs/dbraw/zinc/72/65/53/1294726553.db2.gz CMYMAPNHLANDJI-CVEARBPZSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001689300119 1294726563 /nfs/dbraw/zinc/72/65/63/1294726563.db2.gz CMYMAPNHLANDJI-CVEARBPZSA-N 2 2 368.522 0.448 20 0 FCADLP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCS(=O)(=O)CC1 ZINC001689807868 1294842990 /nfs/dbraw/zinc/84/29/90/1294842990.db2.gz KISAZPPLMMXHFS-HUUCEWRRSA-N 2 2 368.503 0.776 20 0 FCADLP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCS(=O)(=O)CC1 ZINC001689807868 1294843006 /nfs/dbraw/zinc/84/30/06/1294843006.db2.gz KISAZPPLMMXHFS-HUUCEWRRSA-N 2 2 368.503 0.776 20 0 FCADLP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCS(=O)(=O)CC1 ZINC001689807868 1294843020 /nfs/dbraw/zinc/84/30/20/1294843020.db2.gz KISAZPPLMMXHFS-HUUCEWRRSA-N 2 2 368.503 0.776 20 0 FCADLP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCS(=O)(=O)CC1 ZINC001689807868 1294843031 /nfs/dbraw/zinc/84/30/31/1294843031.db2.gz KISAZPPLMMXHFS-HUUCEWRRSA-N 2 2 368.503 0.776 20 0 FCADLP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001690606515 1294873821 /nfs/dbraw/zinc/87/38/21/1294873821.db2.gz PIIWMMFICOQKOM-XKQJLSEDSA-N 2 2 366.462 0.457 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001690942048 1294894288 /nfs/dbraw/zinc/89/42/88/1294894288.db2.gz QMSKFKGGSSXBQR-RHSMWYFYSA-N 2 2 364.465 0.830 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001690942048 1294894296 /nfs/dbraw/zinc/89/42/96/1294894296.db2.gz QMSKFKGGSSXBQR-RHSMWYFYSA-N 2 2 364.465 0.830 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)NCc2ccc(F)cc2)CC[NH+]1C ZINC001690942048 1294894303 /nfs/dbraw/zinc/89/43/03/1294894303.db2.gz QMSKFKGGSSXBQR-RHSMWYFYSA-N 2 2 364.465 0.830 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCc2ccc(F)cc2)CC[NH+]1C ZINC001690942048 1294894309 /nfs/dbraw/zinc/89/43/09/1294894309.db2.gz QMSKFKGGSSXBQR-RHSMWYFYSA-N 2 2 364.465 0.830 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001691659870 1294907192 /nfs/dbraw/zinc/90/71/92/1294907192.db2.gz STMUXXAYEBOWAE-JKSUJKDBSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(=O)NC[C@@H]1CCOC1 ZINC001691688729 1294912172 /nfs/dbraw/zinc/91/21/72/1294912172.db2.gz DTRMGLPQDZARAU-VYDXJSESSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(=O)NC[C@@H]1CCOC1 ZINC001691688729 1294912182 /nfs/dbraw/zinc/91/21/82/1294912182.db2.gz DTRMGLPQDZARAU-VYDXJSESSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@@H]1CCOC1 ZINC001691688729 1294912193 /nfs/dbraw/zinc/91/21/93/1294912193.db2.gz DTRMGLPQDZARAU-VYDXJSESSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@@H]1CCOC1 ZINC001691688729 1294912203 /nfs/dbraw/zinc/91/22/03/1294912203.db2.gz DTRMGLPQDZARAU-VYDXJSESSA-N 2 2 366.506 0.202 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc(N)[nH+]1)CC2 ZINC001164702523 720047734 /nfs/dbraw/zinc/04/77/34/720047734.db2.gz GQVUFRJIZVAHQJ-UHFFFAOYSA-N 2 2 355.446 0.348 20 0 FCADLP [NH3+]Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164912778 721776896 /nfs/dbraw/zinc/77/68/96/721776896.db2.gz PTUGBBDZNZGWKG-LJQANCHMSA-N 2 2 370.457 0.438 20 0 FCADLP [NH3+]Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164912778 721776899 /nfs/dbraw/zinc/77/68/99/721776899.db2.gz PTUGBBDZNZGWKG-LJQANCHMSA-N 2 2 370.457 0.438 20 0 FCADLP C([C@@H]1CCCO1)[NH+]1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001165039239 721916084 /nfs/dbraw/zinc/91/60/84/721916084.db2.gz RVLLTKDGRBQOOV-HNNXBMFYSA-N 2 2 374.489 0.217 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076525 837614495 /nfs/dbraw/zinc/61/44/95/837614495.db2.gz RBRSHGRGSGQUKQ-GCRBFPJHSA-N 2 2 352.870 0.714 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076525 837614496 /nfs/dbraw/zinc/61/44/96/837614496.db2.gz RBRSHGRGSGQUKQ-GCRBFPJHSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076525 837614497 /nfs/dbraw/zinc/61/44/97/837614497.db2.gz RBRSHGRGSGQUKQ-GCRBFPJHSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076525 837614498 /nfs/dbraw/zinc/61/44/98/837614498.db2.gz RBRSHGRGSGQUKQ-GCRBFPJHSA-N 2 2 352.870 0.714 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070338121 837647600 /nfs/dbraw/zinc/64/76/00/837647600.db2.gz RSTHIYXWSZHTCZ-KGLIPLIRSA-N 2 2 358.431 0.173 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001071098646 837733171 /nfs/dbraw/zinc/73/31/71/837733171.db2.gz XLVIPFNMVHGHPS-XCRHUMRWSA-N 2 2 350.463 0.329 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H](C)O)CC1 ZINC001071100948 837733825 /nfs/dbraw/zinc/73/38/25/837733825.db2.gz IVIVXJIJHOWDKP-PNPHSEOMSA-N 2 2 350.463 0.627 20 0 FCADLP COCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074661765 837822243 /nfs/dbraw/zinc/82/22/43/837822243.db2.gz KRYBENVCCUUAGB-RQJABVFESA-N 2 2 351.451 0.635 20 0 FCADLP COCc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)n1 ZINC001074661765 837822249 /nfs/dbraw/zinc/82/22/49/837822249.db2.gz KRYBENVCCUUAGB-RQJABVFESA-N 2 2 351.451 0.635 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382760882 836051747 /nfs/dbraw/zinc/05/17/47/836051747.db2.gz JPAYEZYHTGJWSE-WBVHZDCISA-N 2 2 367.515 0.871 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000382760882 836051758 /nfs/dbraw/zinc/05/17/58/836051758.db2.gz JPAYEZYHTGJWSE-WBVHZDCISA-N 2 2 367.515 0.871 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001101376363 844164321 /nfs/dbraw/zinc/16/43/21/844164321.db2.gz CVBUSFPMAITGNY-NUJGCVRESA-N 2 2 350.463 0.623 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001101376363 844164327 /nfs/dbraw/zinc/16/43/27/844164327.db2.gz CVBUSFPMAITGNY-NUJGCVRESA-N 2 2 350.463 0.623 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001076295661 837978324 /nfs/dbraw/zinc/97/83/24/837978324.db2.gz QYNMQINNZZCDDC-GOEBONIOSA-N 2 2 366.487 0.310 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001076295661 837978331 /nfs/dbraw/zinc/97/83/31/837978331.db2.gz QYNMQINNZZCDDC-GOEBONIOSA-N 2 2 366.487 0.310 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC1 ZINC001076418633 837998516 /nfs/dbraw/zinc/99/85/16/837998516.db2.gz HPIGQDCJAUCFMT-DLBZAZTESA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC1 ZINC001076418633 837998521 /nfs/dbraw/zinc/99/85/21/837998521.db2.gz HPIGQDCJAUCFMT-DLBZAZTESA-N 2 2 371.547 0.684 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076633192 838035056 /nfs/dbraw/zinc/03/50/56/838035056.db2.gz BYJQKJCPALWEAI-HRCADAONSA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076633192 838035068 /nfs/dbraw/zinc/03/50/68/838035068.db2.gz BYJQKJCPALWEAI-HRCADAONSA-N 2 2 366.487 0.241 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838887 838129054 /nfs/dbraw/zinc/12/90/54/838129054.db2.gz QEXXBXTUWVHDEU-ZACQAIPSSA-N 2 2 367.877 0.374 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838887 838129058 /nfs/dbraw/zinc/12/90/58/838129058.db2.gz QEXXBXTUWVHDEU-ZACQAIPSSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838887 838129062 /nfs/dbraw/zinc/12/90/62/838129062.db2.gz QEXXBXTUWVHDEU-ZACQAIPSSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838887 838129065 /nfs/dbraw/zinc/12/90/65/838129065.db2.gz QEXXBXTUWVHDEU-ZACQAIPSSA-N 2 2 367.877 0.374 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cs1 ZINC001077236416 838839420 /nfs/dbraw/zinc/83/94/20/838839420.db2.gz KLNSXIPFGMPMCG-OWCLPIDISA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001077236416 838839433 /nfs/dbraw/zinc/83/94/33/838839433.db2.gz KLNSXIPFGMPMCG-OWCLPIDISA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC001077236416 838839445 /nfs/dbraw/zinc/83/94/45/838839445.db2.gz KLNSXIPFGMPMCG-OWCLPIDISA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC001077236416 838839457 /nfs/dbraw/zinc/83/94/57/838839457.db2.gz KLNSXIPFGMPMCG-OWCLPIDISA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cs1 ZINC001077236414 838840996 /nfs/dbraw/zinc/84/09/96/838840996.db2.gz KLNSXIPFGMPMCG-BZUAXINKSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cs1 ZINC001077236414 838841008 /nfs/dbraw/zinc/84/10/08/838841008.db2.gz KLNSXIPFGMPMCG-BZUAXINKSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cs1 ZINC001077236414 838841017 /nfs/dbraw/zinc/84/10/17/838841017.db2.gz KLNSXIPFGMPMCG-BZUAXINKSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cs1 ZINC001077236414 838841030 /nfs/dbraw/zinc/84/10/30/838841030.db2.gz KLNSXIPFGMPMCG-BZUAXINKSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503955 839002426 /nfs/dbraw/zinc/00/24/26/839002426.db2.gz OBWVCUXBGCDHRX-HZPDHXFCSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503955 839002434 /nfs/dbraw/zinc/00/24/34/839002434.db2.gz OBWVCUXBGCDHRX-HZPDHXFCSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566975 839041508 /nfs/dbraw/zinc/04/15/08/839041508.db2.gz VSOCPRMBSVQVPM-KFWWJZLASA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566975 839041520 /nfs/dbraw/zinc/04/15/20/839041520.db2.gz VSOCPRMBSVQVPM-KFWWJZLASA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566975 839041532 /nfs/dbraw/zinc/04/15/32/839041532.db2.gz VSOCPRMBSVQVPM-KFWWJZLASA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566975 839041540 /nfs/dbraw/zinc/04/15/40/839041540.db2.gz VSOCPRMBSVQVPM-KFWWJZLASA-N 2 2 368.503 0.222 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675554 839104159 /nfs/dbraw/zinc/10/41/59/839104159.db2.gz QPZVGPSZSIMMFY-BPLDGKMQSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675554 839104161 /nfs/dbraw/zinc/10/41/61/839104161.db2.gz QPZVGPSZSIMMFY-BPLDGKMQSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675554 839104168 /nfs/dbraw/zinc/10/41/68/839104168.db2.gz QPZVGPSZSIMMFY-BPLDGKMQSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001077675554 839104169 /nfs/dbraw/zinc/10/41/69/839104169.db2.gz QPZVGPSZSIMMFY-BPLDGKMQSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679645 839106698 /nfs/dbraw/zinc/10/66/98/839106698.db2.gz XTIVGFCVQAHARG-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679645 839106702 /nfs/dbraw/zinc/10/67/02/839106702.db2.gz XTIVGFCVQAHARG-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679645 839106707 /nfs/dbraw/zinc/10/67/07/839106707.db2.gz XTIVGFCVQAHARG-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679645 839106711 /nfs/dbraw/zinc/10/67/11/839106711.db2.gz XTIVGFCVQAHARG-BPLDGKMQSA-N 2 2 355.870 0.040 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679349 839107726 /nfs/dbraw/zinc/10/77/26/839107726.db2.gz PLULXUUCZIRHCM-HFBAOOFYSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679349 839107732 /nfs/dbraw/zinc/10/77/32/839107732.db2.gz PLULXUUCZIRHCM-HFBAOOFYSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679349 839107740 /nfs/dbraw/zinc/10/77/40/839107740.db2.gz PLULXUUCZIRHCM-HFBAOOFYSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679349 839107743 /nfs/dbraw/zinc/10/77/43/839107743.db2.gz PLULXUUCZIRHCM-HFBAOOFYSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077684818 839110711 /nfs/dbraw/zinc/11/07/11/839110711.db2.gz YPLFYWSOPVGLPE-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077684818 839110719 /nfs/dbraw/zinc/11/07/19/839110719.db2.gz YPLFYWSOPVGLPE-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077684818 839110722 /nfs/dbraw/zinc/11/07/22/839110722.db2.gz YPLFYWSOPVGLPE-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077684818 839110725 /nfs/dbraw/zinc/11/07/25/839110725.db2.gz YPLFYWSOPVGLPE-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC001077683928 839110990 /nfs/dbraw/zinc/11/09/90/839110990.db2.gz AAHWXVWVTPSPDP-HUUCEWRRSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC001077683928 839110994 /nfs/dbraw/zinc/11/09/94/839110994.db2.gz AAHWXVWVTPSPDP-HUUCEWRRSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)s1 ZINC001077683928 839111000 /nfs/dbraw/zinc/11/10/00/839111000.db2.gz AAHWXVWVTPSPDP-HUUCEWRRSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)s1 ZINC001077683928 839111006 /nfs/dbraw/zinc/11/10/06/839111006.db2.gz AAHWXVWVTPSPDP-HUUCEWRRSA-N 2 2 352.504 0.845 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685337 839113005 /nfs/dbraw/zinc/11/30/05/839113005.db2.gz LMLZUFGEKZFZAF-MCIONIFRSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685337 839113009 /nfs/dbraw/zinc/11/30/09/839113009.db2.gz LMLZUFGEKZFZAF-MCIONIFRSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685337 839113014 /nfs/dbraw/zinc/11/30/14/839113014.db2.gz LMLZUFGEKZFZAF-MCIONIFRSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685337 839113018 /nfs/dbraw/zinc/11/30/18/839113018.db2.gz LMLZUFGEKZFZAF-MCIONIFRSA-N 2 2 361.433 0.304 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001078006897 839290765 /nfs/dbraw/zinc/29/07/65/839290765.db2.gz HYSOAFUTPAMKAF-HUUCEWRRSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@H]1O ZINC001078006897 839290785 /nfs/dbraw/zinc/29/07/85/839290785.db2.gz HYSOAFUTPAMKAF-HUUCEWRRSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001078009674 839291539 /nfs/dbraw/zinc/29/15/39/839291539.db2.gz MVULVSXFMGGXEO-NWANDNLSSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001078009674 839291546 /nfs/dbraw/zinc/29/15/46/839291546.db2.gz MVULVSXFMGGXEO-NWANDNLSSA-N 2 2 356.417 0.949 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1Cl ZINC001078174112 839378626 /nfs/dbraw/zinc/37/86/26/839378626.db2.gz BOHMTRALBYOSQX-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1Cl ZINC001078174112 839378638 /nfs/dbraw/zinc/37/86/38/839378638.db2.gz BOHMTRALBYOSQX-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1Cl ZINC001078174112 839378650 /nfs/dbraw/zinc/37/86/50/839378650.db2.gz BOHMTRALBYOSQX-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1Cl ZINC001078174112 839378670 /nfs/dbraw/zinc/37/86/70/839378670.db2.gz BOHMTRALBYOSQX-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001078179998 839383591 /nfs/dbraw/zinc/38/35/91/839383591.db2.gz IMKWQGMZAFTRSS-IAGOWNOFSA-N 2 2 367.877 0.976 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001078179998 839383602 /nfs/dbraw/zinc/38/36/02/839383602.db2.gz IMKWQGMZAFTRSS-IAGOWNOFSA-N 2 2 367.877 0.976 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001079525911 839541205 /nfs/dbraw/zinc/54/12/05/839541205.db2.gz FUIAPCOFSFLHBO-XNRPHZJLSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001079525911 839541209 /nfs/dbraw/zinc/54/12/09/839541209.db2.gz FUIAPCOFSFLHBO-XNRPHZJLSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001079525911 839541220 /nfs/dbraw/zinc/54/12/20/839541220.db2.gz FUIAPCOFSFLHBO-XNRPHZJLSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001079525911 839541233 /nfs/dbraw/zinc/54/12/33/839541233.db2.gz FUIAPCOFSFLHBO-XNRPHZJLSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292505 844460038 /nfs/dbraw/zinc/46/00/38/844460038.db2.gz QLHIOQCMAXPDGC-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292505 844460043 /nfs/dbraw/zinc/46/00/43/844460043.db2.gz QLHIOQCMAXPDGC-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345804 839706029 /nfs/dbraw/zinc/70/60/29/839706029.db2.gz ADHIIBNMOCWICR-VNHYZAJKSA-N 2 2 350.463 0.868 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345804 839706039 /nfs/dbraw/zinc/70/60/39/839706039.db2.gz ADHIIBNMOCWICR-VNHYZAJKSA-N 2 2 350.463 0.868 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314703 844464989 /nfs/dbraw/zinc/46/49/89/844464989.db2.gz WFMFMVQQVFZLEL-CHWSQXEVSA-N 2 2 358.437 0.679 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314703 844464999 /nfs/dbraw/zinc/46/49/99/844464999.db2.gz WFMFMVQQVFZLEL-CHWSQXEVSA-N 2 2 358.437 0.679 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443109 839725187 /nfs/dbraw/zinc/72/51/87/839725187.db2.gz ZYDIUDNTAHWPIE-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443109 839725197 /nfs/dbraw/zinc/72/51/97/839725197.db2.gz ZYDIUDNTAHWPIE-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080443109 839725203 /nfs/dbraw/zinc/72/52/03/839725203.db2.gz ZYDIUDNTAHWPIE-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080443109 839725212 /nfs/dbraw/zinc/72/52/12/839725212.db2.gz ZYDIUDNTAHWPIE-BFYDXBDKSA-N 2 2 350.507 0.966 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102380682 844480657 /nfs/dbraw/zinc/48/06/57/844480657.db2.gz RRGXHOSLGUIMNK-KFWWJZLASA-N 2 2 351.499 0.607 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102380682 844480658 /nfs/dbraw/zinc/48/06/58/844480658.db2.gz RRGXHOSLGUIMNK-KFWWJZLASA-N 2 2 351.499 0.607 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406439 844488653 /nfs/dbraw/zinc/48/86/53/844488653.db2.gz SPUDKVSPEMXBFM-MGPQQGTHSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406439 844488661 /nfs/dbraw/zinc/48/86/61/844488661.db2.gz SPUDKVSPEMXBFM-MGPQQGTHSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414570 844490515 /nfs/dbraw/zinc/49/05/15/844490515.db2.gz JMMPFTYOPRHFOS-OWCLPIDISA-N 2 2 370.519 0.953 20 0 FCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414570 844490517 /nfs/dbraw/zinc/49/05/17/844490517.db2.gz JMMPFTYOPRHFOS-OWCLPIDISA-N 2 2 370.519 0.953 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959811 840123428 /nfs/dbraw/zinc/12/34/28/840123428.db2.gz YWWOYPRDTLUOAT-QPQPGFACSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959811 840123433 /nfs/dbraw/zinc/12/34/33/840123433.db2.gz YWWOYPRDTLUOAT-QPQPGFACSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959811 840123438 /nfs/dbraw/zinc/12/34/38/840123438.db2.gz YWWOYPRDTLUOAT-QPQPGFACSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959811 840123445 /nfs/dbraw/zinc/12/34/45/840123445.db2.gz YWWOYPRDTLUOAT-QPQPGFACSA-N 2 2 355.866 0.418 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082137922 840206801 /nfs/dbraw/zinc/20/68/01/840206801.db2.gz GYRRTIDCGADIDT-HZPDHXFCSA-N 2 2 352.435 0.346 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082137922 840206816 /nfs/dbraw/zinc/20/68/16/840206816.db2.gz GYRRTIDCGADIDT-HZPDHXFCSA-N 2 2 352.435 0.346 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001082139299 840208917 /nfs/dbraw/zinc/20/89/17/840208917.db2.gz NRMNLCCJRWRKMD-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001082139299 840208927 /nfs/dbraw/zinc/20/89/27/840208927.db2.gz NRMNLCCJRWRKMD-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271495 840269122 /nfs/dbraw/zinc/26/91/22/840269122.db2.gz CUBCAVYLOBBDSA-ARFHVFGLSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271495 840269128 /nfs/dbraw/zinc/26/91/28/840269128.db2.gz CUBCAVYLOBBDSA-ARFHVFGLSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488707 844525149 /nfs/dbraw/zinc/52/51/49/844525149.db2.gz FRORYNQOZAMLSX-ZIAGYGMSSA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488707 844525153 /nfs/dbraw/zinc/52/51/53/844525153.db2.gz FRORYNQOZAMLSX-ZIAGYGMSSA-N 2 2 367.519 0.833 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328991 840314675 /nfs/dbraw/zinc/31/46/75/840314675.db2.gz VTEWAYFFDCUFDQ-HUUCEWRRSA-N 2 2 350.488 0.863 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328991 840314683 /nfs/dbraw/zinc/31/46/83/840314683.db2.gz VTEWAYFFDCUFDQ-HUUCEWRRSA-N 2 2 350.488 0.863 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082346050 840328470 /nfs/dbraw/zinc/32/84/70/840328470.db2.gz NQZCCSUIFFRZMY-IXDOHACOSA-N 2 2 350.463 0.891 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082346050 840328483 /nfs/dbraw/zinc/32/84/83/840328483.db2.gz NQZCCSUIFFRZMY-IXDOHACOSA-N 2 2 350.463 0.891 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)s1 ZINC001082449682 840416807 /nfs/dbraw/zinc/41/68/07/840416807.db2.gz DWADCAGKSXWDQY-UPJWGTAASA-N 2 2 353.492 0.968 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)s1 ZINC001082449682 840416816 /nfs/dbraw/zinc/41/68/16/840416816.db2.gz DWADCAGKSXWDQY-UPJWGTAASA-N 2 2 353.492 0.968 20 0 FCADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082457781 840420040 /nfs/dbraw/zinc/42/00/40/840420040.db2.gz FJRTWBBGHLRFIL-YUELXQCFSA-N 2 2 368.503 0.557 20 0 FCADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082457781 840420046 /nfs/dbraw/zinc/42/00/46/840420046.db2.gz FJRTWBBGHLRFIL-YUELXQCFSA-N 2 2 368.503 0.557 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082493094 840436505 /nfs/dbraw/zinc/43/65/05/840436505.db2.gz VOWRPTLNLDUSLL-RBSFLKMASA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082557434 840463690 /nfs/dbraw/zinc/46/36/90/840463690.db2.gz DUZBHSGYTVNUCC-CHWSQXEVSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1nccs1 ZINC001082558206 840464833 /nfs/dbraw/zinc/46/48/33/840464833.db2.gz FBBYSRBNYKAOTN-KFWWJZLASA-N 2 2 362.503 0.907 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)c(C)o1 ZINC001082590217 840477203 /nfs/dbraw/zinc/47/72/03/840477203.db2.gz KCGDLTYHRNBNQO-YLGOIMDESA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)c(C)o1 ZINC001082590217 840477213 /nfs/dbraw/zinc/47/72/13/840477213.db2.gz KCGDLTYHRNBNQO-YLGOIMDESA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001082703414 840530235 /nfs/dbraw/zinc/53/02/35/840530235.db2.gz RYANQBAYDKSBQV-YUELXQCFSA-N 2 2 350.467 0.159 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001082703414 840530242 /nfs/dbraw/zinc/53/02/42/840530242.db2.gz RYANQBAYDKSBQV-YUELXQCFSA-N 2 2 350.467 0.159 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001082919696 840602163 /nfs/dbraw/zinc/60/21/63/840602163.db2.gz BEEQSURLSLOKSF-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001082919696 840602168 /nfs/dbraw/zinc/60/21/68/840602168.db2.gz BEEQSURLSLOKSF-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001082923441 840603777 /nfs/dbraw/zinc/60/37/77/840603777.db2.gz KGBOPYKMRWHILV-VNHYZAJKSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncs2)C1 ZINC001082923712 840604710 /nfs/dbraw/zinc/60/47/10/840604710.db2.gz YOHNJGJFCVEGLO-MGPQQGTHSA-N 2 2 353.492 0.443 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)sn1 ZINC001083275120 840855691 /nfs/dbraw/zinc/85/56/91/840855691.db2.gz PBYNMPBJHLJYKK-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)sn1 ZINC001083275120 840855704 /nfs/dbraw/zinc/85/57/04/840855704.db2.gz PBYNMPBJHLJYKK-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)sn1 ZINC001083275120 840855713 /nfs/dbraw/zinc/85/57/13/840855713.db2.gz PBYNMPBJHLJYKK-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)sn1 ZINC001083275120 840855720 /nfs/dbraw/zinc/85/57/20/840855720.db2.gz PBYNMPBJHLJYKK-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276210 840858911 /nfs/dbraw/zinc/85/89/11/840858911.db2.gz RELIBQRQXLVRKE-FGTMMUONSA-N 2 2 351.491 0.833 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276210 840858920 /nfs/dbraw/zinc/85/89/20/840858920.db2.gz RELIBQRQXLVRKE-FGTMMUONSA-N 2 2 351.491 0.833 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456113 841022842 /nfs/dbraw/zinc/02/28/42/841022842.db2.gz HGMGZQDKYPSAML-OAGGEKHMSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456113 841022854 /nfs/dbraw/zinc/02/28/54/841022854.db2.gz HGMGZQDKYPSAML-OAGGEKHMSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456113 841022861 /nfs/dbraw/zinc/02/28/61/841022861.db2.gz HGMGZQDKYPSAML-OAGGEKHMSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456113 841022869 /nfs/dbraw/zinc/02/28/69/841022869.db2.gz HGMGZQDKYPSAML-OAGGEKHMSA-N 2 2 350.463 0.826 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615698 844603738 /nfs/dbraw/zinc/60/37/38/844603738.db2.gz MQWGBISWYULFDP-ZACQAIPSSA-N 2 2 352.479 0.601 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)sn1 ZINC001083466384 841038351 /nfs/dbraw/zinc/03/83/51/841038351.db2.gz RJGATJYLFOMBEZ-OAGGEKHMSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)sn1 ZINC001083466384 841038363 /nfs/dbraw/zinc/03/83/63/841038363.db2.gz RJGATJYLFOMBEZ-OAGGEKHMSA-N 2 2 350.488 0.455 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615698 844603742 /nfs/dbraw/zinc/60/37/42/844603742.db2.gz MQWGBISWYULFDP-ZACQAIPSSA-N 2 2 352.479 0.601 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083583654 841199487 /nfs/dbraw/zinc/19/94/87/841199487.db2.gz MWQBQAVDYDRNKV-BMFZPTHFSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083583654 841199492 /nfs/dbraw/zinc/19/94/92/841199492.db2.gz MWQBQAVDYDRNKV-BMFZPTHFSA-N 2 2 360.483 0.911 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590649 841205963 /nfs/dbraw/zinc/20/59/63/841205963.db2.gz PHMPVDAASOQLDU-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590649 841205965 /nfs/dbraw/zinc/20/59/65/841205965.db2.gz PHMPVDAASOQLDU-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)no1 ZINC001083590390 841206414 /nfs/dbraw/zinc/20/64/14/841206414.db2.gz DKFKKZOOWRSZSA-CVEARBPZSA-N 2 2 364.471 0.815 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]2O)no1 ZINC001083590390 841206423 /nfs/dbraw/zinc/20/64/23/841206423.db2.gz DKFKKZOOWRSZSA-CVEARBPZSA-N 2 2 364.471 0.815 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602288 841222890 /nfs/dbraw/zinc/22/28/90/841222890.db2.gz NAZMOWULPGAHPL-RDBSUJKOSA-N 2 2 359.417 0.200 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602288 841222897 /nfs/dbraw/zinc/22/28/97/841222897.db2.gz NAZMOWULPGAHPL-RDBSUJKOSA-N 2 2 359.417 0.200 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719200 841352191 /nfs/dbraw/zinc/35/21/91/841352191.db2.gz TYSXGMFOXVIFKN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719200 841352203 /nfs/dbraw/zinc/35/22/03/841352203.db2.gz TYSXGMFOXVIFKN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719200 841352215 /nfs/dbraw/zinc/35/22/15/841352215.db2.gz TYSXGMFOXVIFKN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719200 841352226 /nfs/dbraw/zinc/35/22/26/841352226.db2.gz TYSXGMFOXVIFKN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726949 841366695 /nfs/dbraw/zinc/36/66/95/841366695.db2.gz CVJCEPXPODNPBP-WPUCRFQZSA-N 2 2 350.463 0.683 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726949 841366704 /nfs/dbraw/zinc/36/67/04/841366704.db2.gz CVJCEPXPODNPBP-WPUCRFQZSA-N 2 2 350.463 0.683 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726949 841366716 /nfs/dbraw/zinc/36/67/16/841366716.db2.gz CVJCEPXPODNPBP-WPUCRFQZSA-N 2 2 350.463 0.683 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726949 841366728 /nfs/dbraw/zinc/36/67/28/841366728.db2.gz CVJCEPXPODNPBP-WPUCRFQZSA-N 2 2 350.463 0.683 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC1 ZINC001083749619 841391873 /nfs/dbraw/zinc/39/18/73/841391873.db2.gz IVFXWHAHZTWLHP-CABCVRRESA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC1 ZINC001083749619 841391882 /nfs/dbraw/zinc/39/18/82/841391882.db2.gz IVFXWHAHZTWLHP-CABCVRRESA-N 2 2 355.870 0.040 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749210 841392285 /nfs/dbraw/zinc/39/22/85/841392285.db2.gz NAQLQIUACOYIRH-SJORKVTESA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749210 841392298 /nfs/dbraw/zinc/39/22/98/841392298.db2.gz NAQLQIUACOYIRH-SJORKVTESA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780513 841425342 /nfs/dbraw/zinc/42/53/42/841425342.db2.gz AWNCZCZMMFBAMU-JLZZUVOBSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780513 841425349 /nfs/dbraw/zinc/42/53/49/841425349.db2.gz AWNCZCZMMFBAMU-JLZZUVOBSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780513 841425357 /nfs/dbraw/zinc/42/53/57/841425357.db2.gz AWNCZCZMMFBAMU-JLZZUVOBSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780513 841425362 /nfs/dbraw/zinc/42/53/62/841425362.db2.gz AWNCZCZMMFBAMU-JLZZUVOBSA-N 2 2 350.463 0.549 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780997 841427517 /nfs/dbraw/zinc/42/75/17/841427517.db2.gz QXHBUEMVZUVHTB-WQVCFCJDSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780997 841427519 /nfs/dbraw/zinc/42/75/19/841427519.db2.gz QXHBUEMVZUVHTB-WQVCFCJDSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780997 841427525 /nfs/dbraw/zinc/42/75/25/841427525.db2.gz QXHBUEMVZUVHTB-WQVCFCJDSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780997 841427530 /nfs/dbraw/zinc/42/75/30/841427530.db2.gz QXHBUEMVZUVHTB-WQVCFCJDSA-N 2 2 352.504 0.497 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782783 841431881 /nfs/dbraw/zinc/43/18/81/841431881.db2.gz LMLZUFGEKZFZAF-RDBSUJKOSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782783 841431885 /nfs/dbraw/zinc/43/18/85/841431885.db2.gz LMLZUFGEKZFZAF-RDBSUJKOSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782783 841431891 /nfs/dbraw/zinc/43/18/91/841431891.db2.gz LMLZUFGEKZFZAF-RDBSUJKOSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)C1 ZINC001083782783 841431896 /nfs/dbraw/zinc/43/18/96/841431896.db2.gz LMLZUFGEKZFZAF-RDBSUJKOSA-N 2 2 361.433 0.304 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001083954437 841600991 /nfs/dbraw/zinc/60/09/91/841600991.db2.gz ZMMAJHFKGFIQAR-IXDOHACOSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001083954437 841600995 /nfs/dbraw/zinc/60/09/95/841600995.db2.gz ZMMAJHFKGFIQAR-IXDOHACOSA-N 2 2 350.463 0.329 20 0 FCADLP COC(CN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275834000 861219366 /nfs/dbraw/zinc/21/93/66/861219366.db2.gz UWQJAUNPXBCHDS-UHFFFAOYSA-N 2 2 355.479 0.250 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001083997539 841627362 /nfs/dbraw/zinc/62/73/62/841627362.db2.gz BITXJBDUXKWAAD-ZACQAIPSSA-N 2 2 350.463 0.363 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001083997539 841627367 /nfs/dbraw/zinc/62/73/67/841627367.db2.gz BITXJBDUXKWAAD-ZACQAIPSSA-N 2 2 350.463 0.363 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001084057206 841671545 /nfs/dbraw/zinc/67/15/45/841671545.db2.gz AOFZXUAHGOJTBH-SJORKVTESA-N 2 2 353.413 0.764 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001084057206 841671550 /nfs/dbraw/zinc/67/15/50/841671550.db2.gz AOFZXUAHGOJTBH-SJORKVTESA-N 2 2 353.413 0.764 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001084115292 841717458 /nfs/dbraw/zinc/71/74/58/841717458.db2.gz GCAKWYAPEDFSGZ-CVEARBPZSA-N 2 2 364.833 0.777 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001084115292 841717462 /nfs/dbraw/zinc/71/74/62/841717462.db2.gz GCAKWYAPEDFSGZ-CVEARBPZSA-N 2 2 364.833 0.777 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251546 841756046 /nfs/dbraw/zinc/75/60/46/841756046.db2.gz RPCKITWUSZPIAP-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251546 841756053 /nfs/dbraw/zinc/75/60/53/841756053.db2.gz RPCKITWUSZPIAP-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251546 841756055 /nfs/dbraw/zinc/75/60/55/841756055.db2.gz RPCKITWUSZPIAP-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251546 841756061 /nfs/dbraw/zinc/75/60/61/841756061.db2.gz RPCKITWUSZPIAP-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251751 841756203 /nfs/dbraw/zinc/75/62/03/841756203.db2.gz ZKGGLPLMLWIPHM-DJIMGWMZSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251751 841756211 /nfs/dbraw/zinc/75/62/11/841756211.db2.gz ZKGGLPLMLWIPHM-DJIMGWMZSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251751 841756219 /nfs/dbraw/zinc/75/62/19/841756219.db2.gz ZKGGLPLMLWIPHM-DJIMGWMZSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251751 841756227 /nfs/dbraw/zinc/75/62/27/841756227.db2.gz ZKGGLPLMLWIPHM-DJIMGWMZSA-N 2 2 364.515 0.857 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470633 841806787 /nfs/dbraw/zinc/80/67/87/841806787.db2.gz PSLRVEFFEDLIAY-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470633 841806800 /nfs/dbraw/zinc/80/68/00/841806800.db2.gz PSLRVEFFEDLIAY-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470633 841806807 /nfs/dbraw/zinc/80/68/07/841806807.db2.gz PSLRVEFFEDLIAY-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470633 841806815 /nfs/dbraw/zinc/80/68/15/841806815.db2.gz PSLRVEFFEDLIAY-GDBMZVCRSA-N 2 2 350.507 0.918 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085158954 842029927 /nfs/dbraw/zinc/02/99/27/842029927.db2.gz CGBHRRNIHMXZRJ-OAGGEKHMSA-N 2 2 350.467 0.146 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085158954 842029933 /nfs/dbraw/zinc/02/99/33/842029933.db2.gz CGBHRRNIHMXZRJ-OAGGEKHMSA-N 2 2 350.467 0.146 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001085438349 842105534 /nfs/dbraw/zinc/10/55/34/842105534.db2.gz JQYHZVRSLBVRKP-BZUAXINKSA-N 2 2 368.503 0.725 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671330 842112202 /nfs/dbraw/zinc/11/22/02/842112202.db2.gz UWEAYDUFIXFRNJ-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671330 842112212 /nfs/dbraw/zinc/11/22/12/842112212.db2.gz UWEAYDUFIXFRNJ-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671330 842112220 /nfs/dbraw/zinc/11/22/20/842112220.db2.gz UWEAYDUFIXFRNJ-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671330 842112226 /nfs/dbraw/zinc/11/22/26/842112226.db2.gz UWEAYDUFIXFRNJ-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737758 842113502 /nfs/dbraw/zinc/11/35/02/842113502.db2.gz WXRAEMCSLWFNEW-ZACQAIPSSA-N 2 2 355.479 0.045 20 0 FCADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737758 842113506 /nfs/dbraw/zinc/11/35/06/842113506.db2.gz WXRAEMCSLWFNEW-ZACQAIPSSA-N 2 2 355.479 0.045 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086112067 842121422 /nfs/dbraw/zinc/12/14/22/842121422.db2.gz QCEIKTSLRGNRPG-UXXRCYHCSA-N 2 2 366.487 0.432 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086112067 842121436 /nfs/dbraw/zinc/12/14/36/842121436.db2.gz QCEIKTSLRGNRPG-UXXRCYHCSA-N 2 2 366.487 0.432 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC001086371023 842128293 /nfs/dbraw/zinc/12/82/93/842128293.db2.gz MEGYOTKMNZNPMB-AAVRWANBSA-N 2 2 366.535 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC001086371023 842128300 /nfs/dbraw/zinc/12/83/00/842128300.db2.gz MEGYOTKMNZNPMB-AAVRWANBSA-N 2 2 366.535 0.929 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)s1 ZINC001086665973 842146872 /nfs/dbraw/zinc/14/68/72/842146872.db2.gz VJUZVZRIAAAGEI-MJBXVCDLSA-N 2 2 367.519 0.806 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)s1 ZINC001086665973 842146881 /nfs/dbraw/zinc/14/68/81/842146881.db2.gz VJUZVZRIAAAGEI-MJBXVCDLSA-N 2 2 367.519 0.806 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)o1 ZINC001086665933 842147374 /nfs/dbraw/zinc/14/73/74/842147374.db2.gz UMBGKSPLSIQALX-UXLLHSPISA-N 2 2 350.463 0.997 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)o1 ZINC001086665933 842147378 /nfs/dbraw/zinc/14/73/78/842147378.db2.gz UMBGKSPLSIQALX-UXLLHSPISA-N 2 2 350.463 0.997 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087070659 842265019 /nfs/dbraw/zinc/26/50/19/842265019.db2.gz BIUMFCUNTBTXSH-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087098916 842287981 /nfs/dbraw/zinc/28/79/81/842287981.db2.gz UXFWPENTQXYXAA-BFYDXBDKSA-N 2 2 350.463 0.750 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001087181545 842310126 /nfs/dbraw/zinc/31/01/26/842310126.db2.gz XFBRFQBXXNAQBE-HZSPNIEDSA-N 2 2 352.483 0.165 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087829481 842442573 /nfs/dbraw/zinc/44/25/73/842442573.db2.gz FRIYJNZXKFBNSO-OWCLPIDISA-N 2 2 357.520 0.486 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087829481 842442578 /nfs/dbraw/zinc/44/25/78/842442578.db2.gz FRIYJNZXKFBNSO-OWCLPIDISA-N 2 2 357.520 0.486 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693079 842653163 /nfs/dbraw/zinc/65/31/63/842653163.db2.gz KNWYOSNTPIGTRD-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693079 842653168 /nfs/dbraw/zinc/65/31/68/842653168.db2.gz KNWYOSNTPIGTRD-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693079 842653171 /nfs/dbraw/zinc/65/31/71/842653171.db2.gz KNWYOSNTPIGTRD-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693079 842653175 /nfs/dbraw/zinc/65/31/75/842653175.db2.gz KNWYOSNTPIGTRD-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088860244 842697199 /nfs/dbraw/zinc/69/71/99/842697199.db2.gz BUVJMKFGYLXZPL-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088860244 842697204 /nfs/dbraw/zinc/69/72/04/842697204.db2.gz BUVJMKFGYLXZPL-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088860244 842697207 /nfs/dbraw/zinc/69/72/07/842697207.db2.gz BUVJMKFGYLXZPL-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088860244 842697209 /nfs/dbraw/zinc/69/72/09/842697209.db2.gz BUVJMKFGYLXZPL-OAGGEKHMSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001089074129 842766622 /nfs/dbraw/zinc/76/66/22/842766622.db2.gz DXIDWRUNOPGDBA-KFWWJZLASA-N 2 2 354.476 0.287 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001089074129 842766627 /nfs/dbraw/zinc/76/66/27/842766627.db2.gz DXIDWRUNOPGDBA-KFWWJZLASA-N 2 2 354.476 0.287 20 0 FCADLP CNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658522 842774737 /nfs/dbraw/zinc/77/47/37/842774737.db2.gz LUBPBILJCRGNEM-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP CNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658522 842774743 /nfs/dbraw/zinc/77/47/43/842774743.db2.gz LUBPBILJCRGNEM-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP CNC(=O)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089658522 842774752 /nfs/dbraw/zinc/77/47/52/842774752.db2.gz LUBPBILJCRGNEM-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP CNC(=O)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089658522 842774761 /nfs/dbraw/zinc/77/47/61/842774761.db2.gz LUBPBILJCRGNEM-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214495 861355337 /nfs/dbraw/zinc/35/53/37/861355337.db2.gz VKALGNUMBLSZAP-ZNMIVQPWSA-N 2 2 352.479 0.843 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214495 861355355 /nfs/dbraw/zinc/35/53/55/861355355.db2.gz VKALGNUMBLSZAP-ZNMIVQPWSA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214495 861355375 /nfs/dbraw/zinc/35/53/75/861355375.db2.gz VKALGNUMBLSZAP-ZNMIVQPWSA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214495 861355394 /nfs/dbraw/zinc/35/53/94/861355394.db2.gz VKALGNUMBLSZAP-ZNMIVQPWSA-N 2 2 352.479 0.843 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565085 843040050 /nfs/dbraw/zinc/04/00/50/843040050.db2.gz DSFBNYJGHASTNU-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565085 843040063 /nfs/dbraw/zinc/04/00/63/843040063.db2.gz DSFBNYJGHASTNU-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565085 843040078 /nfs/dbraw/zinc/04/00/78/843040078.db2.gz DSFBNYJGHASTNU-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccns4)C[C@@]3(C)C2)C1 ZINC001091565085 843040089 /nfs/dbraw/zinc/04/00/89/843040089.db2.gz DSFBNYJGHASTNU-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP C[C@]12CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092297550 843181396 /nfs/dbraw/zinc/18/13/96/843181396.db2.gz ZBTYSWZUTGOHDX-KDOFPFPSSA-N 2 2 362.499 0.372 20 0 FCADLP C[C@]12CN(C(=O)C[NH+]3CCc4sccc4C3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092297550 843181402 /nfs/dbraw/zinc/18/14/02/843181402.db2.gz ZBTYSWZUTGOHDX-KDOFPFPSSA-N 2 2 362.499 0.372 20 0 FCADLP C[C@]12CN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@H]1C[NH+](CC(N)=O)C2 ZINC001092297550 843181406 /nfs/dbraw/zinc/18/14/06/843181406.db2.gz ZBTYSWZUTGOHDX-KDOFPFPSSA-N 2 2 362.499 0.372 20 0 FCADLP C[C@]12CN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@H]1C[NH+](CC(N)=O)C2 ZINC001092297550 843181410 /nfs/dbraw/zinc/18/14/10/843181410.db2.gz ZBTYSWZUTGOHDX-KDOFPFPSSA-N 2 2 362.499 0.372 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505023 843221686 /nfs/dbraw/zinc/22/16/86/843221686.db2.gz DXAWKQKDSVOLRZ-JHJVBQTASA-N 2 2 366.491 0.255 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505023 843221693 /nfs/dbraw/zinc/22/16/93/843221693.db2.gz DXAWKQKDSVOLRZ-JHJVBQTASA-N 2 2 366.491 0.255 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092505023 843221702 /nfs/dbraw/zinc/22/17/02/843221702.db2.gz DXAWKQKDSVOLRZ-JHJVBQTASA-N 2 2 366.491 0.255 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092505023 843221704 /nfs/dbraw/zinc/22/17/04/843221704.db2.gz DXAWKQKDSVOLRZ-JHJVBQTASA-N 2 2 366.491 0.255 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753462 843292622 /nfs/dbraw/zinc/29/26/22/843292622.db2.gz KEKXGCKIOONKDN-JHJVBQTASA-N 2 2 351.451 0.168 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753462 843292634 /nfs/dbraw/zinc/29/26/34/843292634.db2.gz KEKXGCKIOONKDN-JHJVBQTASA-N 2 2 351.451 0.168 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911280 843337688 /nfs/dbraw/zinc/33/76/88/843337688.db2.gz PPIMFFNUENBGRL-KFWWJZLASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911280 843337700 /nfs/dbraw/zinc/33/77/00/843337700.db2.gz PPIMFFNUENBGRL-KFWWJZLASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911280 843337711 /nfs/dbraw/zinc/33/77/11/843337711.db2.gz PPIMFFNUENBGRL-KFWWJZLASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001092911280 843337723 /nfs/dbraw/zinc/33/77/23/843337723.db2.gz PPIMFFNUENBGRL-KFWWJZLASA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918710 843342300 /nfs/dbraw/zinc/34/23/00/843342300.db2.gz MRNGDBZLQZGWRC-UKRRQHHQSA-N 2 2 371.503 0.684 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918710 843342311 /nfs/dbraw/zinc/34/23/11/843342311.db2.gz MRNGDBZLQZGWRC-UKRRQHHQSA-N 2 2 371.503 0.684 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212341 843410186 /nfs/dbraw/zinc/41/01/86/843410186.db2.gz MHRWFYWZOGIHIL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212341 843410192 /nfs/dbraw/zinc/41/01/92/843410192.db2.gz MHRWFYWZOGIHIL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212341 843410198 /nfs/dbraw/zinc/41/01/98/843410198.db2.gz MHRWFYWZOGIHIL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]2C)C1 ZINC001093212341 843410204 /nfs/dbraw/zinc/41/02/04/843410204.db2.gz MHRWFYWZOGIHIL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)oc1C ZINC001093689899 843455470 /nfs/dbraw/zinc/45/54/70/843455470.db2.gz ACQGSFFRMFJATC-DAXOMENPSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)oc1C ZINC001093689899 843455479 /nfs/dbraw/zinc/45/54/79/843455479.db2.gz ACQGSFFRMFJATC-DAXOMENPSA-N 2 2 350.463 0.806 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093691466 843457197 /nfs/dbraw/zinc/45/71/97/843457197.db2.gz XMVQOWPFOZIOGL-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093691466 843457203 /nfs/dbraw/zinc/45/72/03/843457203.db2.gz XMVQOWPFOZIOGL-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094449972 843554251 /nfs/dbraw/zinc/55/42/51/843554251.db2.gz BXSBBRWKCKBVHN-LZLYRXPVSA-N 2 2 371.547 0.876 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCS(C)(=O)=O)CC2 ZINC001094449972 843554258 /nfs/dbraw/zinc/55/42/58/843554258.db2.gz BXSBBRWKCKBVHN-LZLYRXPVSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001094449972 843554267 /nfs/dbraw/zinc/55/42/67/843554267.db2.gz BXSBBRWKCKBVHN-LZLYRXPVSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001094449972 843554274 /nfs/dbraw/zinc/55/42/74/843554274.db2.gz BXSBBRWKCKBVHN-LZLYRXPVSA-N 2 2 371.547 0.876 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223257 843979804 /nfs/dbraw/zinc/97/98/04/843979804.db2.gz LSSYFVQRDRURAE-JHJVBQTASA-N 2 2 359.396 0.993 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223257 843979805 /nfs/dbraw/zinc/97/98/05/843979805.db2.gz LSSYFVQRDRURAE-JHJVBQTASA-N 2 2 359.396 0.993 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001102818704 844653434 /nfs/dbraw/zinc/65/34/34/844653434.db2.gz CVHREFGCQCQPAL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001102818704 844653439 /nfs/dbraw/zinc/65/34/39/844653439.db2.gz CVHREFGCQCQPAL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001102818704 844653443 /nfs/dbraw/zinc/65/34/43/844653443.db2.gz CVHREFGCQCQPAL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001102818704 844653447 /nfs/dbraw/zinc/65/34/47/844653447.db2.gz CVHREFGCQCQPAL-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536968 844775937 /nfs/dbraw/zinc/77/59/37/844775937.db2.gz LHFXQEHRZXJAOE-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536968 844775940 /nfs/dbraw/zinc/77/59/40/844775940.db2.gz LHFXQEHRZXJAOE-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774719 844820346 /nfs/dbraw/zinc/82/03/46/844820346.db2.gz OCTGLIMGIIWCBT-ZACQAIPSSA-N 2 2 352.479 0.745 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774719 844820351 /nfs/dbraw/zinc/82/03/51/844820351.db2.gz OCTGLIMGIIWCBT-ZACQAIPSSA-N 2 2 352.479 0.745 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779727 844822992 /nfs/dbraw/zinc/82/29/92/844822992.db2.gz HHVNWIFGEVHPFF-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779727 844822994 /nfs/dbraw/zinc/82/29/94/844822994.db2.gz HHVNWIFGEVHPFF-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001104033635 844856501 /nfs/dbraw/zinc/85/65/01/844856501.db2.gz AMDCEFXVUYFSHC-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001104033635 844856506 /nfs/dbraw/zinc/85/65/06/844856506.db2.gz AMDCEFXVUYFSHC-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C/Cl)nn3)C2)O1 ZINC001105268557 844984217 /nfs/dbraw/zinc/98/42/17/844984217.db2.gz SLXMMIPWKYVTHZ-RRSPZVPKSA-N 2 2 368.869 0.223 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C/Cl)nn3)C2)O1 ZINC001105268557 844984225 /nfs/dbraw/zinc/98/42/25/844984225.db2.gz SLXMMIPWKYVTHZ-RRSPZVPKSA-N 2 2 368.869 0.223 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710412 845230142 /nfs/dbraw/zinc/23/01/42/845230142.db2.gz JCVBQPWGVIGDPP-OWCLPIDISA-N 2 2 370.519 0.953 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106748042 845240607 /nfs/dbraw/zinc/24/06/07/845240607.db2.gz GOWJDDRVYMNUNT-MGPQQGTHSA-N 2 2 356.492 0.317 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106748042 845240616 /nfs/dbraw/zinc/24/06/16/845240616.db2.gz GOWJDDRVYMNUNT-MGPQQGTHSA-N 2 2 356.492 0.317 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800778 845255606 /nfs/dbraw/zinc/25/56/06/845255606.db2.gz KEVCWGXQDUDKJH-BZUAXINKSA-N 2 2 352.479 0.670 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800871 845257035 /nfs/dbraw/zinc/25/70/35/845257035.db2.gz MZKKSOQXWKAKQJ-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)CC1 ZINC001276756098 861580778 /nfs/dbraw/zinc/58/07/78/861580778.db2.gz HXPIQSCFCOXPEW-QZTJIDSGSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN2CCOCC2)CC1 ZINC001276756098 861580789 /nfs/dbraw/zinc/58/07/89/861580789.db2.gz HXPIQSCFCOXPEW-QZTJIDSGSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(CC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758178 861585110 /nfs/dbraw/zinc/58/51/10/861585110.db2.gz VEYPNSWKKQZMCO-LJQANCHMSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(CC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758178 861585119 /nfs/dbraw/zinc/58/51/19/861585119.db2.gz VEYPNSWKKQZMCO-LJQANCHMSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001109653778 845705164 /nfs/dbraw/zinc/70/51/64/845705164.db2.gz GQUXMSYKTAUHGP-PMPSAXMXSA-N 2 2 371.547 0.875 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001109653778 845705169 /nfs/dbraw/zinc/70/51/69/845705169.db2.gz GQUXMSYKTAUHGP-PMPSAXMXSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717203 845720162 /nfs/dbraw/zinc/72/01/62/845720162.db2.gz FLQBPEWZYDYCOM-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717203 845720165 /nfs/dbraw/zinc/72/01/65/845720165.db2.gz FLQBPEWZYDYCOM-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717203 845720169 /nfs/dbraw/zinc/72/01/69/845720169.db2.gz FLQBPEWZYDYCOM-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109717203 845720172 /nfs/dbraw/zinc/72/01/72/845720172.db2.gz FLQBPEWZYDYCOM-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001109865694 845751681 /nfs/dbraw/zinc/75/16/81/845751681.db2.gz XVVNIVGYGWENMI-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001109865694 845751683 /nfs/dbraw/zinc/75/16/83/845751683.db2.gz XVVNIVGYGWENMI-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977532 845771009 /nfs/dbraw/zinc/77/10/09/845771009.db2.gz MYUPQRJPZGOCCZ-WCVJEAGWSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977532 845771011 /nfs/dbraw/zinc/77/10/11/845771011.db2.gz MYUPQRJPZGOCCZ-WCVJEAGWSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110016253 845778051 /nfs/dbraw/zinc/77/80/51/845778051.db2.gz FWXOOJNUTOTOLT-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110016253 845778046 /nfs/dbraw/zinc/77/80/46/845778046.db2.gz FWXOOJNUTOTOLT-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110016253 845778058 /nfs/dbraw/zinc/77/80/58/845778058.db2.gz FWXOOJNUTOTOLT-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001110016253 845778064 /nfs/dbraw/zinc/77/80/64/845778064.db2.gz FWXOOJNUTOTOLT-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001276794526 861611729 /nfs/dbraw/zinc/61/17/29/861611729.db2.gz LZLBCBMZJPMXPD-DOMZBBRYSA-N 2 2 367.412 0.601 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001276794526 861611738 /nfs/dbraw/zinc/61/17/38/861611738.db2.gz LZLBCBMZJPMXPD-DOMZBBRYSA-N 2 2 367.412 0.601 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575509 845922546 /nfs/dbraw/zinc/92/25/46/845922546.db2.gz PUOUBAOOUDVDPK-HHARLNAUSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575509 845922552 /nfs/dbraw/zinc/92/25/52/845922552.db2.gz PUOUBAOOUDVDPK-HHARLNAUSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110575509 845922559 /nfs/dbraw/zinc/92/25/59/845922559.db2.gz PUOUBAOOUDVDPK-HHARLNAUSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110575509 845922563 /nfs/dbraw/zinc/92/25/63/845922563.db2.gz PUOUBAOOUDVDPK-HHARLNAUSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954244 846000967 /nfs/dbraw/zinc/00/09/67/846000967.db2.gz NJNLVMNOBWNQEG-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954244 846000978 /nfs/dbraw/zinc/00/09/78/846000978.db2.gz NJNLVMNOBWNQEG-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)CS(C)(=O)=O ZINC001110976498 846007527 /nfs/dbraw/zinc/00/75/27/846007527.db2.gz OTRILQJQEMXVER-SVGFKBNWSA-N 2 2 371.547 0.730 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)CS(C)(=O)=O ZINC001110976498 846007529 /nfs/dbraw/zinc/00/75/29/846007529.db2.gz OTRILQJQEMXVER-SVGFKBNWSA-N 2 2 371.547 0.730 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111235060 846066063 /nfs/dbraw/zinc/06/60/63/846066063.db2.gz XEUHSXSLDOIBGT-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111235060 846066069 /nfs/dbraw/zinc/06/60/69/846066069.db2.gz XEUHSXSLDOIBGT-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111235060 846066076 /nfs/dbraw/zinc/06/60/76/846066076.db2.gz XEUHSXSLDOIBGT-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111235060 846066081 /nfs/dbraw/zinc/06/60/81/846066081.db2.gz XEUHSXSLDOIBGT-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111308962 846082884 /nfs/dbraw/zinc/08/28/84/846082884.db2.gz FWXOOJNUTOTOLT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111308962 846082889 /nfs/dbraw/zinc/08/28/89/846082889.db2.gz FWXOOJNUTOTOLT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111308962 846082897 /nfs/dbraw/zinc/08/28/97/846082897.db2.gz FWXOOJNUTOTOLT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111308962 846082904 /nfs/dbraw/zinc/08/29/04/846082904.db2.gz FWXOOJNUTOTOLT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001111466427 846117551 /nfs/dbraw/zinc/11/75/51/846117551.db2.gz UYNISLRZLGCPKX-ZACQAIPSSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001111466427 846117556 /nfs/dbraw/zinc/11/75/56/846117556.db2.gz UYNISLRZLGCPKX-ZACQAIPSSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001111466427 846117562 /nfs/dbraw/zinc/11/75/62/846117562.db2.gz UYNISLRZLGCPKX-ZACQAIPSSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001111466427 846117565 /nfs/dbraw/zinc/11/75/65/846117565.db2.gz UYNISLRZLGCPKX-ZACQAIPSSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658981 846168069 /nfs/dbraw/zinc/16/80/69/846168069.db2.gz XKJFIIGAMCSWOS-FCEWJHQRSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658981 846168078 /nfs/dbraw/zinc/16/80/78/846168078.db2.gz XKJFIIGAMCSWOS-FCEWJHQRSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658981 846168081 /nfs/dbraw/zinc/16/80/81/846168081.db2.gz XKJFIIGAMCSWOS-FCEWJHQRSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658981 846168087 /nfs/dbraw/zinc/16/80/87/846168087.db2.gz XKJFIIGAMCSWOS-FCEWJHQRSA-N 2 2 350.507 0.824 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111835778 846228320 /nfs/dbraw/zinc/22/83/20/846228320.db2.gz KKWALQWGHVVGAY-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111835778 846228329 /nfs/dbraw/zinc/22/83/29/846228329.db2.gz KKWALQWGHVVGAY-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111835778 846228332 /nfs/dbraw/zinc/22/83/32/846228332.db2.gz KKWALQWGHVVGAY-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111835778 846228342 /nfs/dbraw/zinc/22/83/42/846228342.db2.gz KKWALQWGHVVGAY-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075464 846354730 /nfs/dbraw/zinc/35/47/30/846354730.db2.gz CZPZNDBQBPJLBQ-UPJWGTAASA-N 2 2 353.385 0.332 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075464 846354738 /nfs/dbraw/zinc/35/47/38/846354738.db2.gz CZPZNDBQBPJLBQ-UPJWGTAASA-N 2 2 353.385 0.332 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090799 846371539 /nfs/dbraw/zinc/37/15/39/846371539.db2.gz XUNCNDJOVURKIY-GHMZBOCLSA-N 2 2 361.368 0.457 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C(F)(F)F)[nH]1 ZINC001112155832 846423227 /nfs/dbraw/zinc/42/32/27/846423227.db2.gz MHGFIZUZNJOLEV-VXGBXAGGSA-N 2 2 362.400 0.934 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112181979 846441676 /nfs/dbraw/zinc/44/16/76/846441676.db2.gz HSGCADVCXVDCFM-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001112190307 846448785 /nfs/dbraw/zinc/44/87/85/846448785.db2.gz VDLUBHNZCKNDAK-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001112190307 846448789 /nfs/dbraw/zinc/44/87/89/846448789.db2.gz VDLUBHNZCKNDAK-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112535812 846517402 /nfs/dbraw/zinc/51/74/02/846517402.db2.gz BQCVXYLBKYRSOH-YOEHRIQHSA-N 2 2 368.503 0.605 20 0 FCADLP C[C@@H](O)CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)CO ZINC001116719670 846746093 /nfs/dbraw/zinc/74/60/93/846746093.db2.gz NPMCXQMISHTTGF-HUUCEWRRSA-N 2 2 356.511 0.318 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@](O)(C2CC2)C1)CC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001116837090 846780611 /nfs/dbraw/zinc/78/06/11/846780611.db2.gz QPFRKVOJIRCYFZ-QZTJIDSGSA-N 2 2 372.531 0.095 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@](O)(C2CC2)C1)CC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001116837090 846780619 /nfs/dbraw/zinc/78/06/19/846780619.db2.gz QPFRKVOJIRCYFZ-QZTJIDSGSA-N 2 2 372.531 0.095 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c(N)ccnc3F)C2)OCC1=O ZINC001277055877 861746009 /nfs/dbraw/zinc/74/60/09/861746009.db2.gz ZIXLMXQDRGORNA-QGZVFWFLSA-N 2 2 351.426 0.168 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c(N)ccnc3F)C2)OCC1=O ZINC001277055877 861746020 /nfs/dbraw/zinc/74/60/20/861746020.db2.gz ZIXLMXQDRGORNA-QGZVFWFLSA-N 2 2 351.426 0.168 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858683 847187215 /nfs/dbraw/zinc/18/72/15/847187215.db2.gz PPVWYFMJBAFIPG-HLLBOEOZSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858683 847187223 /nfs/dbraw/zinc/18/72/23/847187223.db2.gz PPVWYFMJBAFIPG-HLLBOEOZSA-N 2 2 350.507 0.728 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC001117894707 847202779 /nfs/dbraw/zinc/20/27/79/847202779.db2.gz ANPAHRUQYCYGKY-IYBDPMFKSA-N 2 2 350.507 0.585 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC001117894707 847202793 /nfs/dbraw/zinc/20/27/93/847202793.db2.gz ANPAHRUQYCYGKY-IYBDPMFKSA-N 2 2 350.507 0.585 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118631654 847507086 /nfs/dbraw/zinc/50/70/86/847507086.db2.gz XJSSTEYTYWEAJV-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001120610158 848253072 /nfs/dbraw/zinc/25/30/72/848253072.db2.gz KJBYSYGRPMULPH-KZNAEPCWSA-N 2 2 369.531 0.929 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001120610158 848253081 /nfs/dbraw/zinc/25/30/81/848253081.db2.gz KJBYSYGRPMULPH-KZNAEPCWSA-N 2 2 369.531 0.929 20 0 FCADLP Cc1ccc2[nH+]c(CSCC(=O)N3NC(=O)C[C@@]34CC[NH2+]C4)cn2c1 ZINC001122191454 848463339 /nfs/dbraw/zinc/46/33/39/848463339.db2.gz WKUQUFMJUSHHAP-QGZVFWFLSA-N 2 2 359.455 0.872 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123793544 848638242 /nfs/dbraw/zinc/63/82/42/848638242.db2.gz CMKJOEYRJKVYIC-YESZJQIVSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123793544 848638249 /nfs/dbraw/zinc/63/82/49/848638249.db2.gz CMKJOEYRJKVYIC-YESZJQIVSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001127547090 848725495 /nfs/dbraw/zinc/72/54/95/848725495.db2.gz ADUGKPFEUPKJOC-HUUCEWRRSA-N 2 2 368.503 0.294 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129209548 848818602 /nfs/dbraw/zinc/81/86/02/848818602.db2.gz JVJWIIWWXDBQPN-UZBOCLDFSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129209548 848818612 /nfs/dbraw/zinc/81/86/12/848818612.db2.gz JVJWIIWWXDBQPN-UZBOCLDFSA-N 2 2 352.870 0.714 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)CCC)n[nH]1 ZINC001130249294 848988805 /nfs/dbraw/zinc/98/88/05/848988805.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 2 2 352.483 0.635 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)CCC)n[nH]1 ZINC001130249294 848988810 /nfs/dbraw/zinc/98/88/10/848988810.db2.gz WHKLKRJQIIJKPU-KBPBESRZSA-N 2 2 352.483 0.635 20 0 FCADLP O=C(NCC[NH2+]C[C@@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614020 849131045 /nfs/dbraw/zinc/13/10/45/849131045.db2.gz VWLIEHRJHFPYTB-BBWFWOEESA-N 2 2 355.479 0.141 20 0 FCADLP CC(C)OCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613448 849131377 /nfs/dbraw/zinc/13/13/77/849131377.db2.gz BHBCCASJSNCCHE-SJORKVTESA-N 2 2 357.495 0.387 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001134042457 849170083 /nfs/dbraw/zinc/17/00/83/849170083.db2.gz HVANCBGVDIMANZ-CHWSQXEVSA-N 2 2 366.443 0.426 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001134049410 849170862 /nfs/dbraw/zinc/17/08/62/849170862.db2.gz GKOKABUYIIAOBL-CHWSQXEVSA-N 2 2 354.476 0.054 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Nc1nccs1 ZINC001134049900 849170888 /nfs/dbraw/zinc/17/08/88/849170888.db2.gz SZLDICZMJGFJMU-QJPTWQEYSA-N 2 2 362.459 0.713 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720559 862035901 /nfs/dbraw/zinc/03/59/01/862035901.db2.gz AOFCBMDAELCMNL-INIZCTEOSA-N 2 2 350.463 0.595 20 0 FCADLP CCCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734306 849646829 /nfs/dbraw/zinc/64/68/29/849646829.db2.gz WYYVOXRIEHXGFV-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734306 849646833 /nfs/dbraw/zinc/64/68/33/849646833.db2.gz WYYVOXRIEHXGFV-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734306 849646838 /nfs/dbraw/zinc/64/68/38/849646838.db2.gz WYYVOXRIEHXGFV-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734306 849646841 /nfs/dbraw/zinc/64/68/41/849646841.db2.gz WYYVOXRIEHXGFV-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150356268 849663045 /nfs/dbraw/zinc/66/30/45/849663045.db2.gz BYQPUWJAMQZCPI-BZUAXINKSA-N 2 2 350.463 0.767 20 0 FCADLP CCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150356268 849663048 /nfs/dbraw/zinc/66/30/48/849663048.db2.gz BYQPUWJAMQZCPI-BZUAXINKSA-N 2 2 350.463 0.767 20 0 FCADLP CCn1nncc1C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998628 849773546 /nfs/dbraw/zinc/77/35/46/849773546.db2.gz ZSCQCYPRSNKYOD-IIAWOOMASA-N 2 2 352.483 0.344 20 0 FCADLP CCn1nncc1C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998628 849773551 /nfs/dbraw/zinc/77/35/51/849773551.db2.gz ZSCQCYPRSNKYOD-IIAWOOMASA-N 2 2 352.483 0.344 20 0 FCADLP CCn1nncc1C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998628 849773555 /nfs/dbraw/zinc/77/35/55/849773555.db2.gz ZSCQCYPRSNKYOD-IIAWOOMASA-N 2 2 352.483 0.344 20 0 FCADLP CCn1nncc1C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998628 849773572 /nfs/dbraw/zinc/77/35/72/849773572.db2.gz ZSCQCYPRSNKYOD-IIAWOOMASA-N 2 2 352.483 0.344 20 0 FCADLP CCOC(=O)c1nnc(SC)nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155373201 849848958 /nfs/dbraw/zinc/84/89/58/849848958.db2.gz NSTOETNKJCTVBS-GFCCVEGCSA-N 2 2 366.491 0.630 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c(Cl)nc(N2CCOCC2)nc1Cl ZINC001158206251 850023074 /nfs/dbraw/zinc/02/30/74/850023074.db2.gz FZELVRLEADAWLI-SECBINFHSA-N 2 2 373.244 0.668 20 0 FCADLP NS(=O)(=O)c1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158258737 850029644 /nfs/dbraw/zinc/02/96/44/850029644.db2.gz HUAUANPEHJJBAQ-JTQLQIEISA-N 2 2 359.883 0.384 20 0 FCADLP NS(=O)(=O)c1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC001158258737 850029646 /nfs/dbraw/zinc/02/96/46/850029646.db2.gz HUAUANPEHJJBAQ-JTQLQIEISA-N 2 2 359.883 0.384 20 0 FCADLP COC(OC)c1c(CO)ccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158263053 850031128 /nfs/dbraw/zinc/03/11/28/850031128.db2.gz XMICIFJZKRFLNM-AWEZNQCLSA-N 2 2 350.463 0.867 20 0 FCADLP COC(OC)c1c(CO)ccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158263053 850031135 /nfs/dbraw/zinc/03/11/35/850031135.db2.gz XMICIFJZKRFLNM-AWEZNQCLSA-N 2 2 350.463 0.867 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158267683 850032269 /nfs/dbraw/zinc/03/22/69/850032269.db2.gz IZINGVVPTZAWNK-ZDUSSCGKSA-N 2 2 353.492 0.334 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158267683 850032277 /nfs/dbraw/zinc/03/22/77/850032277.db2.gz IZINGVVPTZAWNK-ZDUSSCGKSA-N 2 2 353.492 0.334 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158266161 850032385 /nfs/dbraw/zinc/03/23/85/850032385.db2.gz AGPSJHGZMTYUGU-SNVBAGLBSA-N 2 2 359.883 0.384 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158266161 850032391 /nfs/dbraw/zinc/03/23/91/850032391.db2.gz AGPSJHGZMTYUGU-SNVBAGLBSA-N 2 2 359.883 0.384 20 0 FCADLP N[C@@H](C[NH3+])C(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001158293538 850033713 /nfs/dbraw/zinc/03/37/13/850033713.db2.gz XYLQZALSTXYGAN-ONGXEEELSA-N 2 2 368.235 0.283 20 0 FCADLP O=C([C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158900222 850083863 /nfs/dbraw/zinc/08/38/63/850083863.db2.gz BJGOQJVRQXCIKM-JDFRZJQESA-N 2 2 350.394 0.063 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001159078741 850095468 /nfs/dbraw/zinc/09/54/68/850095468.db2.gz ZCRWPDYQKAJWMG-OLMNPRSZSA-N 2 2 353.463 0.383 20 0 FCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159191532 850099440 /nfs/dbraw/zinc/09/94/40/850099440.db2.gz IACAXEKXXFCQPL-HOCLYGCPSA-N 3 2 367.519 0.287 20 0 FCADLP COC[C@H]1COCCC12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CC2 ZINC001160060507 850151864 /nfs/dbraw/zinc/15/18/64/850151864.db2.gz WIGSAZJDKUJRBU-HOCLYGCPSA-N 2 2 350.463 0.582 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794384 862099225 /nfs/dbraw/zinc/09/92/25/862099225.db2.gz HXOPSDHQRJFYJO-AEFFLSMTSA-N 2 2 350.463 0.630 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794384 862099238 /nfs/dbraw/zinc/09/92/38/862099238.db2.gz HXOPSDHQRJFYJO-AEFFLSMTSA-N 2 2 350.463 0.630 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160505791 850178453 /nfs/dbraw/zinc/17/84/53/850178453.db2.gz GFRQKJBAFICCTE-ZDUSSCGKSA-N 2 2 364.837 0.803 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001160601868 850184239 /nfs/dbraw/zinc/18/42/39/850184239.db2.gz DXRKDKZGAIIFNE-AAEUAGOBSA-N 2 2 357.380 0.828 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795472 862101547 /nfs/dbraw/zinc/10/15/47/862101547.db2.gz XKMKCSNPCCRGNR-SJLPKXTDSA-N 2 2 350.463 0.773 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795472 862101548 /nfs/dbraw/zinc/10/15/48/862101548.db2.gz XKMKCSNPCCRGNR-SJLPKXTDSA-N 2 2 350.463 0.773 20 0 FCADLP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160845762 850202917 /nfs/dbraw/zinc/20/29/17/850202917.db2.gz HRBJHKSHAGXQQY-CQSZACIVSA-N 2 2 366.487 0.530 20 0 FCADLP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160845762 850202923 /nfs/dbraw/zinc/20/29/23/850202923.db2.gz HRBJHKSHAGXQQY-CQSZACIVSA-N 2 2 366.487 0.530 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380366 850255796 /nfs/dbraw/zinc/25/57/96/850255796.db2.gz VEKREKGCZZTULU-IRXDYDNUSA-N 3 2 352.429 0.859 20 0 FCADLP C[C@H]1CN(c2ccc(NS(=O)(=O)c3ccc(C[NH3+])cc3)nn2)CC[NH2+]1 ZINC001161746289 850280421 /nfs/dbraw/zinc/28/04/21/850280421.db2.gz ADCODCPJOMLDEU-LBPRGKRZSA-N 2 2 362.459 0.534 20 0 FCADLP CCOCCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2 ZINC001277836939 862124443 /nfs/dbraw/zinc/12/44/43/862124443.db2.gz SRZODBVDMKRERT-IAGOWNOFSA-N 2 2 355.523 0.944 20 0 FCADLP CCOCCNC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2 ZINC001277836938 862124466 /nfs/dbraw/zinc/12/44/66/862124466.db2.gz SRZODBVDMKRERT-DLBZAZTESA-N 2 2 355.523 0.944 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837418 862124608 /nfs/dbraw/zinc/12/46/08/862124608.db2.gz XHQYEQFECGOCMI-WMZOPIPTSA-N 2 2 357.495 0.029 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837418 862124610 /nfs/dbraw/zinc/12/46/10/862124610.db2.gz XHQYEQFECGOCMI-WMZOPIPTSA-N 2 2 357.495 0.029 20 0 FCADLP Cc1csc(=O)n1CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166967254 850516658 /nfs/dbraw/zinc/51/66/58/850516658.db2.gz IJUUEHYXQVGGSF-ZIAGYGMSSA-N 2 2 363.487 0.851 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC001169071434 850604335 /nfs/dbraw/zinc/60/43/35/850604335.db2.gz DDQPWYQXCSBVMN-GFCCVEGCSA-N 2 2 365.459 0.350 20 0 FCADLP COC(=O)C[C@H](C)c1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071266 850604571 /nfs/dbraw/zinc/60/45/71/850604571.db2.gz JFLSDRLMNJCOAA-VHSXEESVSA-N 2 2 353.810 0.844 20 0 FCADLP CC(=O)N1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C1 ZINC001169544191 850629165 /nfs/dbraw/zinc/62/91/65/850629165.db2.gz AYBBREUJNHOLQB-GOSISDBHSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175203113 850755479 /nfs/dbraw/zinc/75/54/79/850755479.db2.gz JMPVCTRTJOJEAV-MJBXVCDLSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001175203113 850755484 /nfs/dbraw/zinc/75/54/84/850755484.db2.gz JMPVCTRTJOJEAV-MJBXVCDLSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001175203113 850755490 /nfs/dbraw/zinc/75/54/90/850755490.db2.gz JMPVCTRTJOJEAV-MJBXVCDLSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001175203113 850755494 /nfs/dbraw/zinc/75/54/94/850755494.db2.gz JMPVCTRTJOJEAV-MJBXVCDLSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@H](CCCC[NH2+]CCOCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360098 850762764 /nfs/dbraw/zinc/76/27/64/850762764.db2.gz YIPCIAVZJVKKDS-BZUAXINKSA-N 2 2 352.479 0.797 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1([NH+](C)C)CC1 ZINC001182598061 851182781 /nfs/dbraw/zinc/18/27/81/851182781.db2.gz YFTPHVFVBVRHIG-YOEHRIQHSA-N 2 2 353.463 0.336 20 0 FCADLP CSC[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183216188 851233893 /nfs/dbraw/zinc/23/38/93/851233893.db2.gz LQOJJXWXNJRYHQ-OAHLLOKOSA-N 2 2 370.563 0.682 20 0 FCADLP CSC[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183216188 851233903 /nfs/dbraw/zinc/23/39/03/851233903.db2.gz LQOJJXWXNJRYHQ-OAHLLOKOSA-N 2 2 370.563 0.682 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037732 851407256 /nfs/dbraw/zinc/40/72/56/851407256.db2.gz KWCJDYJZFKBKDL-KKUMJFAQSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037732 851407263 /nfs/dbraw/zinc/40/72/63/851407263.db2.gz KWCJDYJZFKBKDL-KKUMJFAQSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186037732 851407272 /nfs/dbraw/zinc/40/72/72/851407272.db2.gz KWCJDYJZFKBKDL-KKUMJFAQSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001186037732 851407277 /nfs/dbraw/zinc/40/72/77/851407277.db2.gz KWCJDYJZFKBKDL-KKUMJFAQSA-N 2 2 350.488 0.633 20 0 FCADLP C[N@@H+]1[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187618494 851585739 /nfs/dbraw/zinc/58/57/39/851585739.db2.gz GYCULBFUPXVBKO-UKPHBRMFSA-N 2 2 367.471 0.577 20 0 FCADLP C[N@H+]1[C@@H](C(=O)N(CC[NH3+])S(C)(=O)=O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187618494 851585746 /nfs/dbraw/zinc/58/57/46/851585746.db2.gz GYCULBFUPXVBKO-UKPHBRMFSA-N 2 2 367.471 0.577 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001188314836 851668904 /nfs/dbraw/zinc/66/89/04/851668904.db2.gz NAJUVOXJLUEHQZ-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001188314836 851668911 /nfs/dbraw/zinc/66/89/11/851668911.db2.gz NAJUVOXJLUEHQZ-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188629545 851714871 /nfs/dbraw/zinc/71/48/71/851714871.db2.gz APXGIOAZYUPLGD-JKSUJKDBSA-N 2 2 350.463 0.548 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188629545 851714879 /nfs/dbraw/zinc/71/48/79/851714879.db2.gz APXGIOAZYUPLGD-JKSUJKDBSA-N 2 2 350.463 0.548 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127309 851755979 /nfs/dbraw/zinc/75/59/79/851755979.db2.gz SPZLARUXWKZSIV-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127309 851755982 /nfs/dbraw/zinc/75/59/82/851755982.db2.gz SPZLARUXWKZSIV-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127309 851755985 /nfs/dbraw/zinc/75/59/85/851755985.db2.gz SPZLARUXWKZSIV-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189127309 851755991 /nfs/dbraw/zinc/75/59/91/851755991.db2.gz SPZLARUXWKZSIV-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CC1(C)OCC(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CO1 ZINC001278267774 862282895 /nfs/dbraw/zinc/28/28/95/862282895.db2.gz NRBKCPFHYLXUPW-SJORKVTESA-N 2 2 350.463 0.667 20 0 FCADLP CC1(C)OCC(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CO1 ZINC001278267774 862282903 /nfs/dbraw/zinc/28/29/03/862282903.db2.gz NRBKCPFHYLXUPW-SJORKVTESA-N 2 2 350.463 0.667 20 0 FCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189810835 851827115 /nfs/dbraw/zinc/82/71/15/851827115.db2.gz JHNPVLLQBCSFBW-VHDGCEQUSA-N 2 2 351.451 0.550 20 0 FCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189810835 851827118 /nfs/dbraw/zinc/82/71/18/851827118.db2.gz JHNPVLLQBCSFBW-VHDGCEQUSA-N 2 2 351.451 0.550 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889431 851977861 /nfs/dbraw/zinc/97/78/61/851977861.db2.gz KOMJGOFQEBMALQ-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889431 851977865 /nfs/dbraw/zinc/97/78/65/851977865.db2.gz KOMJGOFQEBMALQ-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889431 851977869 /nfs/dbraw/zinc/97/78/69/851977869.db2.gz KOMJGOFQEBMALQ-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889431 851977872 /nfs/dbraw/zinc/97/78/72/851977872.db2.gz KOMJGOFQEBMALQ-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001193620249 852461417 /nfs/dbraw/zinc/46/14/17/852461417.db2.gz VTKGKYVWXSYRQG-BRWVUGGUSA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001193620249 852461427 /nfs/dbraw/zinc/46/14/27/852461427.db2.gz VTKGKYVWXSYRQG-BRWVUGGUSA-N 2 2 350.463 0.445 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193756450 852482995 /nfs/dbraw/zinc/48/29/95/852482995.db2.gz REZGHOVRYQBZBC-OWCLPIDISA-N 2 2 350.463 0.594 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193756450 852483001 /nfs/dbraw/zinc/48/30/01/852483001.db2.gz REZGHOVRYQBZBC-OWCLPIDISA-N 2 2 350.463 0.594 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1O ZINC001193756470 852483239 /nfs/dbraw/zinc/48/32/39/852483239.db2.gz RPURSQJXOKZUFE-BZUAXINKSA-N 2 2 355.458 0.114 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1O ZINC001193756470 852483242 /nfs/dbraw/zinc/48/32/42/852483242.db2.gz RPURSQJXOKZUFE-BZUAXINKSA-N 2 2 355.458 0.114 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902147 852504986 /nfs/dbraw/zinc/50/49/86/852504986.db2.gz OAJUERUSQQAXNN-ARFHVFGLSA-N 2 2 369.897 0.572 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902147 852504987 /nfs/dbraw/zinc/50/49/87/852504987.db2.gz OAJUERUSQQAXNN-ARFHVFGLSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902147 852504990 /nfs/dbraw/zinc/50/49/90/852504990.db2.gz OAJUERUSQQAXNN-ARFHVFGLSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902147 852504992 /nfs/dbraw/zinc/50/49/92/852504992.db2.gz OAJUERUSQQAXNN-ARFHVFGLSA-N 2 2 369.897 0.572 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001194243650 852562392 /nfs/dbraw/zinc/56/23/92/852562392.db2.gz BHTYRQWXPZFHIN-BZUAXINKSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001194243650 852562402 /nfs/dbraw/zinc/56/24/02/852562402.db2.gz BHTYRQWXPZFHIN-BZUAXINKSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251196 852566331 /nfs/dbraw/zinc/56/63/31/852566331.db2.gz LLRUVGZVLGLSHX-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251196 852566335 /nfs/dbraw/zinc/56/63/35/852566335.db2.gz LLRUVGZVLGLSHX-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O)CC2 ZINC001195640839 852803529 /nfs/dbraw/zinc/80/35/29/852803529.db2.gz QMZKKSYBVXKSFO-DJIMGWMZSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O)CC2 ZINC001195640840 852804432 /nfs/dbraw/zinc/80/44/32/852804432.db2.gz QMZKKSYBVXKSFO-USXIJHARSA-N 2 2 350.463 0.340 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001195692143 852813871 /nfs/dbraw/zinc/81/38/71/852813871.db2.gz WNWRFIUKEUSMAM-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001195692143 852813873 /nfs/dbraw/zinc/81/38/73/852813873.db2.gz WNWRFIUKEUSMAM-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)o1 ZINC001195700399 852814633 /nfs/dbraw/zinc/81/46/33/852814633.db2.gz DHYIIZZUIBLDPD-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)o1 ZINC001195700399 852814639 /nfs/dbraw/zinc/81/46/39/852814639.db2.gz DHYIIZZUIBLDPD-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709177 852816279 /nfs/dbraw/zinc/81/62/79/852816279.db2.gz XQSVVASTJVPSMP-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709177 852816287 /nfs/dbraw/zinc/81/62/87/852816287.db2.gz XQSVVASTJVPSMP-IAGOWNOFSA-N 2 2 351.495 0.776 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708427 852816818 /nfs/dbraw/zinc/81/68/18/852816818.db2.gz NTZMNHJAGWJSMU-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708427 852816820 /nfs/dbraw/zinc/81/68/20/852816820.db2.gz NTZMNHJAGWJSMU-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195821885 852832197 /nfs/dbraw/zinc/83/21/97/852832197.db2.gz RDCRPDFOGFEVSE-CHWSQXEVSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195821885 852832204 /nfs/dbraw/zinc/83/22/04/852832204.db2.gz RDCRPDFOGFEVSE-CHWSQXEVSA-N 2 2 353.385 0.068 20 0 FCADLP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869416 852837880 /nfs/dbraw/zinc/83/78/80/852837880.db2.gz CUKBTGKWCPGNPB-HUUCEWRRSA-N 2 2 355.866 0.962 20 0 FCADLP COc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869416 852837888 /nfs/dbraw/zinc/83/78/88/852837888.db2.gz CUKBTGKWCPGNPB-HUUCEWRRSA-N 2 2 355.866 0.962 20 0 FCADLP C[C@@H](C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893222 852843685 /nfs/dbraw/zinc/84/36/85/852843685.db2.gz BRCFUVBXAIJKSK-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@@H](C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893222 852843689 /nfs/dbraw/zinc/84/36/89/852843689.db2.gz BRCFUVBXAIJKSK-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@@H](C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893222 852843691 /nfs/dbraw/zinc/84/36/91/852843691.db2.gz BRCFUVBXAIJKSK-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@@H](C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893222 852843695 /nfs/dbraw/zinc/84/36/95/852843695.db2.gz BRCFUVBXAIJKSK-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O)C2 ZINC001196167217 852903634 /nfs/dbraw/zinc/90/36/34/852903634.db2.gz CITLLLNCGVAUMM-DJIMGWMZSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O)C2 ZINC001196167217 852903637 /nfs/dbraw/zinc/90/36/37/852903637.db2.gz CITLLLNCGVAUMM-DJIMGWMZSA-N 2 2 350.463 0.340 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)o1 ZINC001196268595 852928112 /nfs/dbraw/zinc/92/81/12/852928112.db2.gz WNSDCVUCJJDCQL-QLFBSQMISA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)o1 ZINC001196268595 852928121 /nfs/dbraw/zinc/92/81/21/852928121.db2.gz WNSDCVUCJJDCQL-QLFBSQMISA-N 2 2 352.479 0.937 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196500369 852966460 /nfs/dbraw/zinc/96/64/60/852966460.db2.gz SJEUYRYBWWQDDH-USXIJHARSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196500369 852966465 /nfs/dbraw/zinc/96/64/65/852966465.db2.gz SJEUYRYBWWQDDH-USXIJHARSA-N 2 2 350.463 0.812 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197048428 853052902 /nfs/dbraw/zinc/05/29/02/853052902.db2.gz BBMOAYAPIJZDKL-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197048428 853052910 /nfs/dbraw/zinc/05/29/10/853052910.db2.gz BBMOAYAPIJZDKL-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493333 853123402 /nfs/dbraw/zinc/12/34/02/853123402.db2.gz JFBMHSGSRDMDRV-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493333 853123405 /nfs/dbraw/zinc/12/34/05/853123405.db2.gz JFBMHSGSRDMDRV-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493333 853123408 /nfs/dbraw/zinc/12/34/08/853123408.db2.gz JFBMHSGSRDMDRV-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493333 853123409 /nfs/dbraw/zinc/12/34/09/853123409.db2.gz JFBMHSGSRDMDRV-RRFJBIMHSA-N 2 2 356.511 0.183 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001197528497 853126385 /nfs/dbraw/zinc/12/63/85/853126385.db2.gz MBSOQOFYVKMLGL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001197528497 853126393 /nfs/dbraw/zinc/12/63/93/853126393.db2.gz MBSOQOFYVKMLGL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001197528497 853126400 /nfs/dbraw/zinc/12/64/00/853126400.db2.gz MBSOQOFYVKMLGL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001197528497 853126406 /nfs/dbraw/zinc/12/64/06/853126406.db2.gz MBSOQOFYVKMLGL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001197536556 853129035 /nfs/dbraw/zinc/12/90/35/853129035.db2.gz WQDUISVWWPZATM-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001197536556 853129036 /nfs/dbraw/zinc/12/90/36/853129036.db2.gz WQDUISVWWPZATM-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001197536556 853129037 /nfs/dbraw/zinc/12/90/37/853129037.db2.gz WQDUISVWWPZATM-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001197536556 853129039 /nfs/dbraw/zinc/12/90/39/853129039.db2.gz WQDUISVWWPZATM-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001198292845 853246742 /nfs/dbraw/zinc/24/67/42/853246742.db2.gz SWFJRLDLHMGPRX-DJIMGWMZSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001198292845 853246749 /nfs/dbraw/zinc/24/67/49/853246749.db2.gz SWFJRLDLHMGPRX-DJIMGWMZSA-N 2 2 350.463 0.331 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)s1 ZINC001198690089 853302426 /nfs/dbraw/zinc/30/24/26/853302426.db2.gz UJMWSACHFNKMLS-APHBMKBZSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)s1 ZINC001198690089 853302436 /nfs/dbraw/zinc/30/24/36/853302436.db2.gz UJMWSACHFNKMLS-APHBMKBZSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cs1 ZINC001198699619 853303644 /nfs/dbraw/zinc/30/36/44/853303644.db2.gz UQKQIJUUQFXOLL-KBRIMQKVSA-N 2 2 367.515 0.686 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cs1 ZINC001198699619 853303650 /nfs/dbraw/zinc/30/36/50/853303650.db2.gz UQKQIJUUQFXOLL-KBRIMQKVSA-N 2 2 367.515 0.686 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001199057026 853361267 /nfs/dbraw/zinc/36/12/67/853361267.db2.gz CPPIQQVTQCZXDM-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001199057026 853361270 /nfs/dbraw/zinc/36/12/70/853361270.db2.gz CPPIQQVTQCZXDM-HZPDHXFCSA-N 2 2 352.504 0.989 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199353957 853412727 /nfs/dbraw/zinc/41/27/27/853412727.db2.gz KXNBITKUDZCZKJ-GVDBMIGSSA-N 2 2 350.463 0.784 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001199353957 853412739 /nfs/dbraw/zinc/41/27/39/853412739.db2.gz KXNBITKUDZCZKJ-GVDBMIGSSA-N 2 2 350.463 0.784 20 0 FCADLP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001199397831 853419081 /nfs/dbraw/zinc/41/90/81/853419081.db2.gz CRFOVVJAGFHMRO-BZUAXINKSA-N 2 2 350.463 0.640 20 0 FCADLP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001199397831 853419093 /nfs/dbraw/zinc/41/90/93/853419093.db2.gz CRFOVVJAGFHMRO-BZUAXINKSA-N 2 2 350.463 0.640 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337825 853806736 /nfs/dbraw/zinc/80/67/36/853806736.db2.gz YKOVOJLAYOUSHG-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337825 853806744 /nfs/dbraw/zinc/80/67/44/853806744.db2.gz YKOVOJLAYOUSHG-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337825 853806749 /nfs/dbraw/zinc/80/67/49/853806749.db2.gz YKOVOJLAYOUSHG-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337825 853806755 /nfs/dbraw/zinc/80/67/55/853806755.db2.gz YKOVOJLAYOUSHG-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545352 853821823 /nfs/dbraw/zinc/82/18/23/853821823.db2.gz QXQRYTGIORUAJN-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545352 853821828 /nfs/dbraw/zinc/82/18/28/853821828.db2.gz QXQRYTGIORUAJN-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207760821 853855717 /nfs/dbraw/zinc/85/57/17/853855717.db2.gz DMAWISWNOUZDGO-BZUAXINKSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001207760821 853855718 /nfs/dbraw/zinc/85/57/18/853855718.db2.gz DMAWISWNOUZDGO-BZUAXINKSA-N 2 2 350.463 0.545 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001208008629 853882587 /nfs/dbraw/zinc/88/25/87/853882587.db2.gz YTCYOCRQBVBJLG-GZBFAFLISA-N 2 2 356.492 0.309 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001208008629 853882595 /nfs/dbraw/zinc/88/25/95/853882595.db2.gz YTCYOCRQBVBJLG-GZBFAFLISA-N 2 2 356.492 0.309 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405120 853927642 /nfs/dbraw/zinc/92/76/42/853927642.db2.gz KUFGHIYFGJKYJN-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405120 853927644 /nfs/dbraw/zinc/92/76/44/853927644.db2.gz KUFGHIYFGJKYJN-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405120 853927648 /nfs/dbraw/zinc/92/76/48/853927648.db2.gz KUFGHIYFGJKYJN-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405120 853927651 /nfs/dbraw/zinc/92/76/51/853927651.db2.gz KUFGHIYFGJKYJN-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496398 853943112 /nfs/dbraw/zinc/94/31/12/853943112.db2.gz RWNHFJWOVXPRRR-UKRRQHHQSA-N 2 2 352.504 0.753 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496398 853943123 /nfs/dbraw/zinc/94/31/23/853943123.db2.gz RWNHFJWOVXPRRR-UKRRQHHQSA-N 2 2 352.504 0.753 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208590753 853957976 /nfs/dbraw/zinc/95/79/76/853957976.db2.gz JWIBBSDDUDAJNN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208590753 853957980 /nfs/dbraw/zinc/95/79/80/853957980.db2.gz JWIBBSDDUDAJNN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208590753 853957983 /nfs/dbraw/zinc/95/79/83/853957983.db2.gz JWIBBSDDUDAJNN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208590753 853957984 /nfs/dbraw/zinc/95/79/84/853957984.db2.gz JWIBBSDDUDAJNN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208596972 853958448 /nfs/dbraw/zinc/95/84/48/853958448.db2.gz GIKDUEUSQIWZIM-ARFHVFGLSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208596972 853958451 /nfs/dbraw/zinc/95/84/51/853958451.db2.gz GIKDUEUSQIWZIM-ARFHVFGLSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208596972 853958455 /nfs/dbraw/zinc/95/84/55/853958455.db2.gz GIKDUEUSQIWZIM-ARFHVFGLSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208596972 853958458 /nfs/dbraw/zinc/95/84/58/853958458.db2.gz GIKDUEUSQIWZIM-ARFHVFGLSA-N 2 2 359.536 0.590 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C)[NH+](C)C ZINC001208699918 853968026 /nfs/dbraw/zinc/96/80/26/853968026.db2.gz ZLVPZMNGCFJYDN-KFWWJZLASA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C)[NH+](C)C ZINC001208699918 853968030 /nfs/dbraw/zinc/96/80/30/853968030.db2.gz ZLVPZMNGCFJYDN-KFWWJZLASA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208984549 853987820 /nfs/dbraw/zinc/98/78/20/853987820.db2.gz DEDDGTPHAFRUMP-QLFBSQMISA-N 2 2 371.507 0.162 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208984549 853987823 /nfs/dbraw/zinc/98/78/23/853987823.db2.gz DEDDGTPHAFRUMP-QLFBSQMISA-N 2 2 371.507 0.162 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478605 854030440 /nfs/dbraw/zinc/03/04/40/854030440.db2.gz WQWDWZAQFQZHQN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478605 854030446 /nfs/dbraw/zinc/03/04/46/854030446.db2.gz WQWDWZAQFQZHQN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210512842 854115762 /nfs/dbraw/zinc/11/57/62/854115762.db2.gz AOCDIQOICLBIDN-ZIAGYGMSSA-N 2 2 355.483 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210512842 854115763 /nfs/dbraw/zinc/11/57/63/854115763.db2.gz AOCDIQOICLBIDN-ZIAGYGMSSA-N 2 2 355.483 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210512842 854115766 /nfs/dbraw/zinc/11/57/66/854115766.db2.gz AOCDIQOICLBIDN-ZIAGYGMSSA-N 2 2 355.483 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210512842 854115768 /nfs/dbraw/zinc/11/57/68/854115768.db2.gz AOCDIQOICLBIDN-ZIAGYGMSSA-N 2 2 355.483 0.001 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001211038657 854148618 /nfs/dbraw/zinc/14/86/18/854148618.db2.gz JUJNUEDWAJXXKK-UMVBOHGHSA-N 2 2 356.492 0.309 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001211038657 854148623 /nfs/dbraw/zinc/14/86/23/854148623.db2.gz JUJNUEDWAJXXKK-UMVBOHGHSA-N 2 2 356.492 0.309 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032323 854148828 /nfs/dbraw/zinc/14/88/28/854148828.db2.gz ZGGGYENBLLUSLT-CHWSQXEVSA-N 2 2 364.412 0.587 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211032323 854148832 /nfs/dbraw/zinc/14/88/32/854148832.db2.gz ZGGGYENBLLUSLT-CHWSQXEVSA-N 2 2 364.412 0.587 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001211184309 854167289 /nfs/dbraw/zinc/16/72/89/854167289.db2.gz RKKUWFDVTAQXOZ-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001211184309 854167295 /nfs/dbraw/zinc/16/72/95/854167295.db2.gz RKKUWFDVTAQXOZ-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211184309 854167298 /nfs/dbraw/zinc/16/72/98/854167298.db2.gz RKKUWFDVTAQXOZ-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211184309 854167305 /nfs/dbraw/zinc/16/73/05/854167305.db2.gz RKKUWFDVTAQXOZ-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(I)nc2)no1 ZINC001211757540 854237924 /nfs/dbraw/zinc/23/79/24/854237924.db2.gz DKDDJKJEXDCTKL-YUMQZZPRSA-N 2 2 357.155 0.750 20 0 FCADLP CS(=O)(=O)c1ccc(-c2noc([C@H](N)C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC001212312062 854436804 /nfs/dbraw/zinc/43/68/04/854436804.db2.gz IEWUMTKMKXPSNA-CQSZACIVSA-N 2 2 365.459 0.563 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409731 854466918 /nfs/dbraw/zinc/46/69/18/854466918.db2.gz KYKWCEFMHOZZJB-INMHGKMJSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409731 854466923 /nfs/dbraw/zinc/46/69/23/854466923.db2.gz KYKWCEFMHOZZJB-INMHGKMJSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204613 854531851 /nfs/dbraw/zinc/53/18/51/854531851.db2.gz VGWGDINUNHTOKU-HZPDHXFCSA-N 2 2 352.479 0.983 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346599 854583830 /nfs/dbraw/zinc/58/38/30/854583830.db2.gz UWNRELDNJIEJEN-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346599 854583832 /nfs/dbraw/zinc/58/38/32/854583832.db2.gz UWNRELDNJIEJEN-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346264 854583849 /nfs/dbraw/zinc/58/38/49/854583849.db2.gz FFHURIQUDXUZSX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346264 854583854 /nfs/dbraw/zinc/58/38/54/854583854.db2.gz FFHURIQUDXUZSX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001213347961 854584894 /nfs/dbraw/zinc/58/48/94/854584894.db2.gz DNWKBJQTJMAKMX-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001213347961 854584897 /nfs/dbraw/zinc/58/48/97/854584897.db2.gz DNWKBJQTJMAKMX-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213588315 854677566 /nfs/dbraw/zinc/67/75/66/854677566.db2.gz ACBMPANXFDMOTC-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213588315 854677571 /nfs/dbraw/zinc/67/75/71/854677571.db2.gz ACBMPANXFDMOTC-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213588315 854677576 /nfs/dbraw/zinc/67/75/76/854677576.db2.gz ACBMPANXFDMOTC-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001213588315 854677580 /nfs/dbraw/zinc/67/75/80/854677580.db2.gz ACBMPANXFDMOTC-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593306 854678644 /nfs/dbraw/zinc/67/86/44/854678644.db2.gz TXVXPPDANVEXEC-INMHGKMJSA-N 2 2 356.511 0.304 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593306 854678648 /nfs/dbraw/zinc/67/86/48/854678648.db2.gz TXVXPPDANVEXEC-INMHGKMJSA-N 2 2 356.511 0.304 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213594561 854679400 /nfs/dbraw/zinc/67/94/00/854679400.db2.gz KIDYYKGKDTYECA-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213594561 854679405 /nfs/dbraw/zinc/67/94/05/854679405.db2.gz KIDYYKGKDTYECA-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213599252 854680650 /nfs/dbraw/zinc/68/06/50/854680650.db2.gz YROGICHADLWDEL-ARFHVFGLSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213599252 854680652 /nfs/dbraw/zinc/68/06/52/854680652.db2.gz YROGICHADLWDEL-ARFHVFGLSA-N 2 2 356.511 0.401 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671913 854709926 /nfs/dbraw/zinc/70/99/26/854709926.db2.gz VVNKCZVJTCMTNB-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671913 854709934 /nfs/dbraw/zinc/70/99/34/854709934.db2.gz VVNKCZVJTCMTNB-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671913 854709937 /nfs/dbraw/zinc/70/99/37/854709937.db2.gz VVNKCZVJTCMTNB-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671913 854709942 /nfs/dbraw/zinc/70/99/42/854709942.db2.gz VVNKCZVJTCMTNB-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213718882 854732266 /nfs/dbraw/zinc/73/22/66/854732266.db2.gz FAKAEIQACYPUOV-IXDOHACOSA-N 2 2 350.463 0.593 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213718882 854732275 /nfs/dbraw/zinc/73/22/75/854732275.db2.gz FAKAEIQACYPUOV-IXDOHACOSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802152 854775057 /nfs/dbraw/zinc/77/50/57/854775057.db2.gz MBAUSLOWRZEQCO-HZPDHXFCSA-N 2 2 363.487 0.867 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802152 854775063 /nfs/dbraw/zinc/77/50/63/854775063.db2.gz MBAUSLOWRZEQCO-HZPDHXFCSA-N 2 2 363.487 0.867 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860045 854795919 /nfs/dbraw/zinc/79/59/19/854795919.db2.gz RAYHBEUJYSHCPU-IAGOWNOFSA-N 2 2 350.463 0.824 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860045 854795930 /nfs/dbraw/zinc/79/59/30/854795930.db2.gz RAYHBEUJYSHCPU-IAGOWNOFSA-N 2 2 350.463 0.824 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860074 854796326 /nfs/dbraw/zinc/79/63/26/854796326.db2.gz RNOQQQLEESTRLN-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860074 854796333 /nfs/dbraw/zinc/79/63/33/854796333.db2.gz RNOQQQLEESTRLN-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929850 854830175 /nfs/dbraw/zinc/83/01/75/854830175.db2.gz NSYLXOMFBRWPQO-HUUCEWRRSA-N 2 2 370.519 0.374 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929850 854830180 /nfs/dbraw/zinc/83/01/80/854830180.db2.gz NSYLXOMFBRWPQO-HUUCEWRRSA-N 2 2 370.519 0.374 20 0 FCADLP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929850 854830184 /nfs/dbraw/zinc/83/01/84/854830184.db2.gz NSYLXOMFBRWPQO-HUUCEWRRSA-N 2 2 370.519 0.374 20 0 FCADLP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929850 854830190 /nfs/dbraw/zinc/83/01/90/854830190.db2.gz NSYLXOMFBRWPQO-HUUCEWRRSA-N 2 2 370.519 0.374 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929942 854830875 /nfs/dbraw/zinc/83/08/75/854830875.db2.gz SFNQLUAMWFJABU-RRFJBIMHSA-N 2 2 356.511 0.445 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929942 854830884 /nfs/dbraw/zinc/83/08/84/854830884.db2.gz SFNQLUAMWFJABU-RRFJBIMHSA-N 2 2 356.511 0.445 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929942 854830893 /nfs/dbraw/zinc/83/08/93/854830893.db2.gz SFNQLUAMWFJABU-RRFJBIMHSA-N 2 2 356.511 0.445 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929942 854830902 /nfs/dbraw/zinc/83/09/02/854830902.db2.gz SFNQLUAMWFJABU-RRFJBIMHSA-N 2 2 356.511 0.445 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975320 854851015 /nfs/dbraw/zinc/85/10/15/854851015.db2.gz BPGNJVZOFGGRRK-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975320 854851022 /nfs/dbraw/zinc/85/10/22/854851022.db2.gz BPGNJVZOFGGRRK-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531158 854964000 /nfs/dbraw/zinc/96/40/00/854964000.db2.gz QOYQSMYFSGQBII-OWCLPIDISA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)n1cc[nH+]c1 ZINC001214916948 855032715 /nfs/dbraw/zinc/03/27/15/855032715.db2.gz LCKSPCODTURYTL-OAGGEKHMSA-N 2 2 370.519 0.951 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216061319 855166862 /nfs/dbraw/zinc/16/68/62/855166862.db2.gz HDVISWMQXPBFBM-CHWSQXEVSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001216065989 855168248 /nfs/dbraw/zinc/16/82/48/855168248.db2.gz WOFNYQOLYWLKQB-GMTAPVOTSA-N 2 2 361.368 0.456 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396795 855198610 /nfs/dbraw/zinc/19/86/10/855198610.db2.gz HVTOUVORXMBDTB-ZIAGYGMSSA-N 2 2 370.519 0.949 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001216565574 855212839 /nfs/dbraw/zinc/21/28/39/855212839.db2.gz MTWCXVHDSDTYBI-YWPYICTPSA-N 2 2 356.492 0.378 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218340831 855416522 /nfs/dbraw/zinc/41/65/22/855416522.db2.gz QMEGCMOXVWFKOL-JKSUJKDBSA-N 2 2 350.463 0.691 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218340831 855416524 /nfs/dbraw/zinc/41/65/24/855416524.db2.gz QMEGCMOXVWFKOL-JKSUJKDBSA-N 2 2 350.463 0.691 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1[nH]nc2ncc(Br)cc21 ZINC001218562973 855439501 /nfs/dbraw/zinc/43/95/01/855439501.db2.gz AARYYNREIVJSKC-JTQLQIEISA-N 2 2 364.207 0.962 20 0 FCADLP CCN(CC)c1nc(Br)cnc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218573044 855442979 /nfs/dbraw/zinc/44/29/79/855442979.db2.gz FKDIEAXSIPWMJD-IUCAKERBSA-N 2 2 357.256 0.713 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645438 855457434 /nfs/dbraw/zinc/45/74/34/855457434.db2.gz GOBFVYOJGAGPQH-QLFBSQMISA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645438 855457436 /nfs/dbraw/zinc/45/74/36/855457436.db2.gz GOBFVYOJGAGPQH-QLFBSQMISA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645438 855457438 /nfs/dbraw/zinc/45/74/38/855457438.db2.gz GOBFVYOJGAGPQH-QLFBSQMISA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645438 855457441 /nfs/dbraw/zinc/45/74/41/855457441.db2.gz GOBFVYOJGAGPQH-QLFBSQMISA-N 2 2 354.495 0.140 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1 ZINC001218699303 855466706 /nfs/dbraw/zinc/46/67/06/855466706.db2.gz WRUWKPQTXFDWKB-ZDUSSCGKSA-N 2 2 364.837 0.814 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001218703459 855467522 /nfs/dbraw/zinc/46/75/22/855467522.db2.gz KVPOYRLSJKFKCU-JKSUJKDBSA-N 2 2 350.463 0.955 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001218703459 855467526 /nfs/dbraw/zinc/46/75/26/855467526.db2.gz KVPOYRLSJKFKCU-JKSUJKDBSA-N 2 2 350.463 0.955 20 0 FCADLP COC(=O)c1cc(Br)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218733527 855472271 /nfs/dbraw/zinc/47/22/71/855472271.db2.gz FUGZXCHZDGEKLP-VIFPVBQESA-N 2 2 368.191 0.862 20 0 FCADLP Nc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2)cc1 ZINC001218864410 855487527 /nfs/dbraw/zinc/48/75/27/855487527.db2.gz PNQXRPLZJKRCON-WBMJQRKESA-N 2 2 360.439 0.729 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055029 855530132 /nfs/dbraw/zinc/53/01/32/855530132.db2.gz SNRAIUAQEYKNKS-HZSPNIEDSA-N 2 2 367.412 0.552 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055029 855530139 /nfs/dbraw/zinc/53/01/39/855530139.db2.gz SNRAIUAQEYKNKS-HZSPNIEDSA-N 2 2 367.412 0.552 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055029 855530146 /nfs/dbraw/zinc/53/01/46/855530146.db2.gz SNRAIUAQEYKNKS-HZSPNIEDSA-N 2 2 367.412 0.552 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055029 855530153 /nfs/dbraw/zinc/53/01/53/855530153.db2.gz SNRAIUAQEYKNKS-HZSPNIEDSA-N 2 2 367.412 0.552 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055030 855530359 /nfs/dbraw/zinc/53/03/59/855530359.db2.gz SNRAIUAQEYKNKS-MELADBBJSA-N 2 2 367.412 0.552 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055030 855530360 /nfs/dbraw/zinc/53/03/60/855530360.db2.gz SNRAIUAQEYKNKS-MELADBBJSA-N 2 2 367.412 0.552 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055030 855530365 /nfs/dbraw/zinc/53/03/65/855530365.db2.gz SNRAIUAQEYKNKS-MELADBBJSA-N 2 2 367.412 0.552 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219055030 855530368 /nfs/dbraw/zinc/53/03/68/855530368.db2.gz SNRAIUAQEYKNKS-MELADBBJSA-N 2 2 367.412 0.552 20 0 FCADLP COc1ccc(Br)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1C(N)=O ZINC001219078765 855539361 /nfs/dbraw/zinc/53/93/61/855539361.db2.gz OHMUJSGJXSLENM-SVRRBLITSA-N 2 2 357.208 0.184 20 0 FCADLP COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(NC(C)=O)cc1OC ZINC001219225754 855591229 /nfs/dbraw/zinc/59/12/29/855591229.db2.gz KJYQPZZGMYBLCD-RNCFNFMXSA-N 2 2 350.375 0.068 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662743 855759379 /nfs/dbraw/zinc/75/93/79/855759379.db2.gz LFWAZOPAICNECY-CVEARBPZSA-N 2 2 350.463 0.350 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219662743 855759387 /nfs/dbraw/zinc/75/93/87/855759387.db2.gz LFWAZOPAICNECY-CVEARBPZSA-N 2 2 350.463 0.350 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001219724585 855785843 /nfs/dbraw/zinc/78/58/43/855785843.db2.gz SJSISZAIFWBKJJ-KFWWJZLASA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001219724585 855785846 /nfs/dbraw/zinc/78/58/46/855785846.db2.gz SJSISZAIFWBKJJ-KFWWJZLASA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1O ZINC001219732573 855791066 /nfs/dbraw/zinc/79/10/66/855791066.db2.gz YYSBHDJNHHTOKO-BBWFWOEESA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1O ZINC001219732573 855791068 /nfs/dbraw/zinc/79/10/68/855791068.db2.gz YYSBHDJNHHTOKO-BBWFWOEESA-N 2 2 352.454 0.731 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219769669 855806209 /nfs/dbraw/zinc/80/62/09/855806209.db2.gz XKUGYCQJGSVUEJ-OLZOCXBDSA-N 2 2 364.368 0.473 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001219769669 855806213 /nfs/dbraw/zinc/80/62/13/855806213.db2.gz XKUGYCQJGSVUEJ-OLZOCXBDSA-N 2 2 364.368 0.473 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@@H]2O)c[nH+]1 ZINC001219864721 855852350 /nfs/dbraw/zinc/85/23/50/855852350.db2.gz YBAFNGNVTMYFRS-CVEARBPZSA-N 2 2 352.479 0.761 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@@H]2O)c[nH+]1 ZINC001219864721 855852352 /nfs/dbraw/zinc/85/23/52/855852352.db2.gz YBAFNGNVTMYFRS-CVEARBPZSA-N 2 2 352.479 0.761 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O)[NH+](C)C ZINC001219874719 855856210 /nfs/dbraw/zinc/85/62/10/855856210.db2.gz DSCKESRJOZRNNG-KFWWJZLASA-N 2 2 363.487 0.693 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O)[NH+](C)C ZINC001219874719 855856215 /nfs/dbraw/zinc/85/62/15/855856215.db2.gz DSCKESRJOZRNNG-KFWWJZLASA-N 2 2 363.487 0.693 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220053579 855934702 /nfs/dbraw/zinc/93/47/02/855934702.db2.gz WJSSOUUOOWJJGH-OAGGEKHMSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220053579 855934703 /nfs/dbraw/zinc/93/47/03/855934703.db2.gz WJSSOUUOOWJJGH-OAGGEKHMSA-N 2 2 350.463 0.331 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001220106188 855963420 /nfs/dbraw/zinc/96/34/20/855963420.db2.gz DRFNOIPHMMQYGU-NSHDSACASA-N 2 2 353.398 0.311 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220188280 856000517 /nfs/dbraw/zinc/00/05/17/856000517.db2.gz ACLYZIOJMVGHSI-KBPBESRZSA-N 2 2 354.401 0.034 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229187 856022281 /nfs/dbraw/zinc/02/22/81/856022281.db2.gz RBFIKUGVTPXGKX-CVEARBPZSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229187 856022290 /nfs/dbraw/zinc/02/22/90/856022290.db2.gz RBFIKUGVTPXGKX-CVEARBPZSA-N 2 2 350.463 0.549 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233967 856025061 /nfs/dbraw/zinc/02/50/61/856025061.db2.gz NTZMNHJAGWJSMU-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233967 856025068 /nfs/dbraw/zinc/02/50/68/856025068.db2.gz NTZMNHJAGWJSMU-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001220381177 856097416 /nfs/dbraw/zinc/09/74/16/856097416.db2.gz LKVOFKVIGKKSNZ-PMPSAXMXSA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001220381177 856097429 /nfs/dbraw/zinc/09/74/29/856097429.db2.gz LKVOFKVIGKKSNZ-PMPSAXMXSA-N 2 2 353.438 0.836 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382601 856098721 /nfs/dbraw/zinc/09/87/21/856098721.db2.gz DAIDNRJXFZCXNE-ANQUJSFKSA-N 2 2 350.463 0.502 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220382601 856098726 /nfs/dbraw/zinc/09/87/26/856098726.db2.gz DAIDNRJXFZCXNE-ANQUJSFKSA-N 2 2 350.463 0.502 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220574555 856191131 /nfs/dbraw/zinc/19/11/31/856191131.db2.gz DZRPPVKVCCVYLL-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220574555 856191142 /nfs/dbraw/zinc/19/11/42/856191142.db2.gz DZRPPVKVCCVYLL-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O)C(C)C ZINC001220573377 856191435 /nfs/dbraw/zinc/19/14/35/856191435.db2.gz WKOATTVNDDUPJJ-IXDOHACOSA-N 2 2 351.495 0.448 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)o1 ZINC001220578564 856192622 /nfs/dbraw/zinc/19/26/22/856192622.db2.gz HDQZYDYKHWJTFG-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)o1 ZINC001220578564 856192626 /nfs/dbraw/zinc/19/26/26/856192626.db2.gz HDQZYDYKHWJTFG-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608234 856204247 /nfs/dbraw/zinc/20/42/47/856204247.db2.gz SNCUIOZINWXEBU-UONOGXRCSA-N 3 2 366.263 0.869 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711139 856256277 /nfs/dbraw/zinc/25/62/77/856256277.db2.gz KYOSGVDDQLATAN-HIFRSBDPSA-N 2 2 365.865 0.070 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816958 856318777 /nfs/dbraw/zinc/31/87/77/856318777.db2.gz ISMORCKSNFYLNG-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816958 856318791 /nfs/dbraw/zinc/31/87/91/856318791.db2.gz ISMORCKSNFYLNG-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816958 856318799 /nfs/dbraw/zinc/31/87/99/856318799.db2.gz ISMORCKSNFYLNG-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001220816958 856318806 /nfs/dbraw/zinc/31/88/06/856318806.db2.gz ISMORCKSNFYLNG-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001220825667 856326220 /nfs/dbraw/zinc/32/62/20/856326220.db2.gz AFMAQRTUISUDES-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001220825667 856326229 /nfs/dbraw/zinc/32/62/29/856326229.db2.gz AFMAQRTUISUDES-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001220825667 856326233 /nfs/dbraw/zinc/32/62/33/856326233.db2.gz AFMAQRTUISUDES-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001220825667 856326241 /nfs/dbraw/zinc/32/62/41/856326241.db2.gz AFMAQRTUISUDES-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220870199 856348855 /nfs/dbraw/zinc/34/88/55/856348855.db2.gz IXIDKORBJQNMKG-LLVKDONJSA-N 3 2 353.224 0.043 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)c1 ZINC001220910997 856370577 /nfs/dbraw/zinc/37/05/77/856370577.db2.gz BVVSONWKLPSRFL-GUYCJALGSA-N 3 2 350.438 0.604 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)sn1 ZINC001220986302 856408246 /nfs/dbraw/zinc/40/82/46/856408246.db2.gz ZOYXQHKBMNWXHL-MAZHCROVSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)sn1 ZINC001220986302 856408253 /nfs/dbraw/zinc/40/82/53/856408253.db2.gz ZOYXQHKBMNWXHL-MAZHCROVSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154195 856486642 /nfs/dbraw/zinc/48/66/42/856486642.db2.gz GIRMIWSCMXITCD-CVEARBPZSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154195 856486646 /nfs/dbraw/zinc/48/66/46/856486646.db2.gz GIRMIWSCMXITCD-CVEARBPZSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154713 856487915 /nfs/dbraw/zinc/48/79/15/856487915.db2.gz SNGDRPFPESJHLQ-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154713 856487918 /nfs/dbraw/zinc/48/79/18/856487918.db2.gz SNGDRPFPESJHLQ-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537280 856598950 /nfs/dbraw/zinc/59/89/50/856598950.db2.gz ADJDICGNABUBEA-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537280 856598956 /nfs/dbraw/zinc/59/89/56/856598956.db2.gz ADJDICGNABUBEA-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221537280 856598963 /nfs/dbraw/zinc/59/89/63/856598963.db2.gz ADJDICGNABUBEA-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221537280 856598969 /nfs/dbraw/zinc/59/89/69/856598969.db2.gz ADJDICGNABUBEA-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553019 856604544 /nfs/dbraw/zinc/60/45/44/856604544.db2.gz NONGZXFSLQRGNN-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221553019 856604546 /nfs/dbraw/zinc/60/45/46/856604546.db2.gz NONGZXFSLQRGNN-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620468 856626492 /nfs/dbraw/zinc/62/64/92/856626492.db2.gz GQNAFHGQDNRQIK-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620468 856626493 /nfs/dbraw/zinc/62/64/93/856626493.db2.gz GQNAFHGQDNRQIK-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620468 856626494 /nfs/dbraw/zinc/62/64/94/856626494.db2.gz GQNAFHGQDNRQIK-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620468 856626495 /nfs/dbraw/zinc/62/64/95/856626495.db2.gz GQNAFHGQDNRQIK-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647893 856637779 /nfs/dbraw/zinc/63/77/79/856637779.db2.gz DDDLRJAVKMAPLM-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647893 856637783 /nfs/dbraw/zinc/63/77/83/856637783.db2.gz DDDLRJAVKMAPLM-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647893 856637787 /nfs/dbraw/zinc/63/77/87/856637787.db2.gz DDDLRJAVKMAPLM-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647893 856637792 /nfs/dbraw/zinc/63/77/92/856637792.db2.gz DDDLRJAVKMAPLM-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773141 856677636 /nfs/dbraw/zinc/67/76/36/856677636.db2.gz YUMHYBAZMRULDS-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773141 856677639 /nfs/dbraw/zinc/67/76/39/856677639.db2.gz YUMHYBAZMRULDS-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221921815 856733579 /nfs/dbraw/zinc/73/35/79/856733579.db2.gz KWXMFBZYGSZYBB-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221921815 856733585 /nfs/dbraw/zinc/73/35/85/856733585.db2.gz KWXMFBZYGSZYBB-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221921815 856733587 /nfs/dbraw/zinc/73/35/87/856733587.db2.gz KWXMFBZYGSZYBB-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221921815 856733593 /nfs/dbraw/zinc/73/35/93/856733593.db2.gz KWXMFBZYGSZYBB-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)sn1 ZINC001221946804 856743442 /nfs/dbraw/zinc/74/34/42/856743442.db2.gz CQMXUICQDSNGKB-UKRRQHHQSA-N 2 2 368.503 0.763 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)sn1 ZINC001221946804 856743454 /nfs/dbraw/zinc/74/34/54/856743454.db2.gz CQMXUICQDSNGKB-UKRRQHHQSA-N 2 2 368.503 0.763 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c(C)o1 ZINC001221950798 856745758 /nfs/dbraw/zinc/74/57/58/856745758.db2.gz YVNXTEIZFYJJBK-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)c(C)o1 ZINC001221950798 856745768 /nfs/dbraw/zinc/74/57/68/856745768.db2.gz YVNXTEIZFYJJBK-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001221962392 856751113 /nfs/dbraw/zinc/75/11/13/856751113.db2.gz AVNFPKNXGUHBBJ-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001221962392 856751123 /nfs/dbraw/zinc/75/11/23/856751123.db2.gz AVNFPKNXGUHBBJ-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221968451 856752889 /nfs/dbraw/zinc/75/28/89/856752889.db2.gz OTZVVKYUVAWHAP-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221968451 856752894 /nfs/dbraw/zinc/75/28/94/856752894.db2.gz OTZVVKYUVAWHAP-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221968451 856752897 /nfs/dbraw/zinc/75/28/97/856752897.db2.gz OTZVVKYUVAWHAP-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221968451 856752903 /nfs/dbraw/zinc/75/29/03/856752903.db2.gz OTZVVKYUVAWHAP-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016694 856768973 /nfs/dbraw/zinc/76/89/73/856768973.db2.gz XBBPMBXZUUXZAP-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016694 856768977 /nfs/dbraw/zinc/76/89/77/856768977.db2.gz XBBPMBXZUUXZAP-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001222018274 856770217 /nfs/dbraw/zinc/77/02/17/856770217.db2.gz VNGXSPHTTQTVLS-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001222018274 856770230 /nfs/dbraw/zinc/77/02/30/856770230.db2.gz VNGXSPHTTQTVLS-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098624 856798364 /nfs/dbraw/zinc/79/83/64/856798364.db2.gz LXQJTLULMSAOEU-BRWVUGGUSA-N 2 2 350.463 0.449 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098624 856798373 /nfs/dbraw/zinc/79/83/73/856798373.db2.gz LXQJTLULMSAOEU-BRWVUGGUSA-N 2 2 350.463 0.449 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489334 856844429 /nfs/dbraw/zinc/84/44/29/856844429.db2.gz QBHFDKIAOYYEDW-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489334 856844440 /nfs/dbraw/zinc/84/44/40/856844440.db2.gz QBHFDKIAOYYEDW-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489334 856844447 /nfs/dbraw/zinc/84/44/47/856844447.db2.gz QBHFDKIAOYYEDW-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCOCC(F)F)[C@H]3C2)C1 ZINC001222489334 856844458 /nfs/dbraw/zinc/84/44/58/856844458.db2.gz QBHFDKIAOYYEDW-QLFBSQMISA-N 2 2 361.433 0.522 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001224307038 856977445 /nfs/dbraw/zinc/97/74/45/856977445.db2.gz UAOPSBYXXGTQEP-SJORKVTESA-N 2 2 350.463 0.595 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001224307038 856977450 /nfs/dbraw/zinc/97/74/50/856977450.db2.gz UAOPSBYXXGTQEP-SJORKVTESA-N 2 2 350.463 0.595 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCO)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001227728677 857172720 /nfs/dbraw/zinc/17/27/20/857172720.db2.gz QHXBDQWUTAYELX-KZNAEPCWSA-N 2 2 353.507 0.887 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCO)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001227728677 857172726 /nfs/dbraw/zinc/17/27/26/857172726.db2.gz QHXBDQWUTAYELX-KZNAEPCWSA-N 2 2 353.507 0.887 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1)CS(C)(=O)=O ZINC001227848921 857180475 /nfs/dbraw/zinc/18/04/75/857180475.db2.gz XTVLDGKJFSABML-ARFHVFGLSA-N 2 2 370.519 0.971 20 0 FCADLP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229301898 857264478 /nfs/dbraw/zinc/26/44/78/857264478.db2.gz ZHWJBJLWGYXTRW-ZIAGYGMSSA-N 2 2 368.503 0.794 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229326874 857264980 /nfs/dbraw/zinc/26/49/80/857264980.db2.gz CZZASGVICJTOTF-ZIAGYGMSSA-N 2 2 356.492 0.794 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347982 857328241 /nfs/dbraw/zinc/32/82/41/857328241.db2.gz PWHVBMVYQVDTTH-HUUCEWRRSA-N 2 2 351.451 0.053 20 0 FCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700434 857363699 /nfs/dbraw/zinc/36/36/99/857363699.db2.gz WSHOYCPDBFPNBW-KRWDZBQOSA-N 2 2 352.435 0.449 20 0 FCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700434 857363704 /nfs/dbraw/zinc/36/37/04/857363704.db2.gz WSHOYCPDBFPNBW-KRWDZBQOSA-N 2 2 352.435 0.449 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700434 857363708 /nfs/dbraw/zinc/36/37/08/857363708.db2.gz WSHOYCPDBFPNBW-KRWDZBQOSA-N 2 2 352.435 0.449 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700434 857363720 /nfs/dbraw/zinc/36/37/20/857363720.db2.gz WSHOYCPDBFPNBW-KRWDZBQOSA-N 2 2 352.435 0.449 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@]3(C2)COCCN(S(=O)(=O)CC[NH3+])C3)cs1 ZINC001239082654 857510258 /nfs/dbraw/zinc/51/02/58/857510258.db2.gz WIXIKKABOBSMAP-OAHLLOKOSA-N 2 2 374.532 0.264 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@]3(C2)COCCN(S(=O)(=O)CC[NH3+])C3)cs1 ZINC001239082654 857510266 /nfs/dbraw/zinc/51/02/66/857510266.db2.gz WIXIKKABOBSMAP-OAHLLOKOSA-N 2 2 374.532 0.264 20 0 FCADLP [NH3+]CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001239083890 857511662 /nfs/dbraw/zinc/51/16/62/857511662.db2.gz NUZMAXLZCAGMMB-ZDUSSCGKSA-N 2 2 351.432 0.077 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001239084364 857511851 /nfs/dbraw/zinc/51/18/51/857511851.db2.gz NNXSGMAAFMUUIR-UHFFFAOYSA-N 2 2 352.504 0.571 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501279 862920055 /nfs/dbraw/zinc/92/00/55/862920055.db2.gz DTYDGYUAZZDSST-IRXDYDNUSA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501279 862920060 /nfs/dbraw/zinc/92/00/60/862920060.db2.gz DTYDGYUAZZDSST-IRXDYDNUSA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501279 862920069 /nfs/dbraw/zinc/92/00/69/862920069.db2.gz DTYDGYUAZZDSST-IRXDYDNUSA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501279 862920078 /nfs/dbraw/zinc/92/00/78/862920078.db2.gz DTYDGYUAZZDSST-IRXDYDNUSA-N 2 2 374.551 0.301 20 0 FCADLP O[C@@H](C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008032 857565061 /nfs/dbraw/zinc/56/50/61/857565061.db2.gz RRXJZJRWWBIFBT-QGZVFWFLSA-N 3 2 351.466 0.860 20 0 FCADLP COCCC1(C[NH2+][C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246367775 857576255 /nfs/dbraw/zinc/57/62/55/857576255.db2.gz CMQGOMXSTHEDPX-CABCVRRESA-N 3 2 356.536 0.246 20 0 FCADLP CCC(CC)[C@@H](N[C@@H]1CCC[N@H+](C)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410487 857577380 /nfs/dbraw/zinc/57/73/80/857577380.db2.gz HLTFPKIUEBRCAF-SISKNIMQSA-N 2 2 355.523 0.972 20 0 FCADLP CCC(CC)[C@@H](N[C@@H]1CCC[N@@H+](C)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410487 857577386 /nfs/dbraw/zinc/57/73/86/857577386.db2.gz HLTFPKIUEBRCAF-SISKNIMQSA-N 2 2 355.523 0.972 20 0 FCADLP CC1([NH+]2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC[NH2+]CC1 ZINC001246808475 857602066 /nfs/dbraw/zinc/60/20/66/857602066.db2.gz BPSFCEVARSCJOO-CVEARBPZSA-N 3 2 367.563 0.010 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971332 857674626 /nfs/dbraw/zinc/67/46/26/857674626.db2.gz ZSAOPESBHICTLO-JHJVBQTASA-N 2 2 353.385 0.021 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971332 857674628 /nfs/dbraw/zinc/67/46/28/857674628.db2.gz ZSAOPESBHICTLO-JHJVBQTASA-N 2 2 353.385 0.021 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971332 857674633 /nfs/dbraw/zinc/67/46/33/857674633.db2.gz ZSAOPESBHICTLO-JHJVBQTASA-N 2 2 353.385 0.021 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971332 857674635 /nfs/dbraw/zinc/67/46/35/857674635.db2.gz ZSAOPESBHICTLO-JHJVBQTASA-N 2 2 353.385 0.021 20 0 FCADLP C[NH+]1CCN(c2ccc(NC[C@@H](O)C[NH+]3CCOCC3)cc2F)CC1 ZINC001251028173 857685451 /nfs/dbraw/zinc/68/54/51/857685451.db2.gz YGWBKALPUGJRAE-MRXNPFEDSA-N 2 2 352.454 0.683 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001253184269 857869110 /nfs/dbraw/zinc/86/91/10/857869110.db2.gz CXEMSAXDKGQDIW-LZLYRXPVSA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001253184269 857869120 /nfs/dbraw/zinc/86/91/20/857869120.db2.gz CXEMSAXDKGQDIW-LZLYRXPVSA-N 2 2 357.495 0.075 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3CCS(=O)(=O)CC3)C2)CC1 ZINC001253653507 857899832 /nfs/dbraw/zinc/89/98/32/857899832.db2.gz GFEBDHFCAXYQHH-HNNXBMFYSA-N 2 2 372.535 0.279 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3CCS(=O)(=O)CC3)C2)CC1 ZINC001253653507 857899837 /nfs/dbraw/zinc/89/98/37/857899837.db2.gz GFEBDHFCAXYQHH-HNNXBMFYSA-N 2 2 372.535 0.279 20 0 FCADLP COC(C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1)OC ZINC001279586986 862969168 /nfs/dbraw/zinc/96/91/68/862969168.db2.gz ZZBLJCJLCYOPEZ-JYJNAYRXSA-N 2 2 353.463 0.001 20 0 FCADLP COC(C[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1)OC ZINC001279586986 862969174 /nfs/dbraw/zinc/96/91/74/862969174.db2.gz ZZBLJCJLCYOPEZ-JYJNAYRXSA-N 2 2 353.463 0.001 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516847 857975849 /nfs/dbraw/zinc/97/58/49/857975849.db2.gz CDCSMLRBQCHUMM-KZNAEPCWSA-N 3 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516847 857975852 /nfs/dbraw/zinc/97/58/52/857975852.db2.gz CDCSMLRBQCHUMM-KZNAEPCWSA-N 3 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516847 857975862 /nfs/dbraw/zinc/97/58/62/857975862.db2.gz CDCSMLRBQCHUMM-KZNAEPCWSA-N 3 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516847 857975866 /nfs/dbraw/zinc/97/58/66/857975866.db2.gz CDCSMLRBQCHUMM-KZNAEPCWSA-N 3 2 352.523 0.582 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN([C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255488320 858014425 /nfs/dbraw/zinc/01/44/25/858014425.db2.gz GXZQMNDTYDKOHM-KRWDZBQOSA-N 3 2 351.539 0.251 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN([C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255488320 858014441 /nfs/dbraw/zinc/01/44/41/858014441.db2.gz GXZQMNDTYDKOHM-KRWDZBQOSA-N 3 2 351.539 0.251 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN([C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001255488320 858014453 /nfs/dbraw/zinc/01/44/53/858014453.db2.gz GXZQMNDTYDKOHM-KRWDZBQOSA-N 3 2 351.539 0.251 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001255488320 858014460 /nfs/dbraw/zinc/01/44/60/858014460.db2.gz GXZQMNDTYDKOHM-KRWDZBQOSA-N 3 2 351.539 0.251 20 0 FCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257721587 858156979 /nfs/dbraw/zinc/15/69/79/858156979.db2.gz YOAPVYBYBJMCPB-SYQHCUMBSA-N 2 2 358.435 0.378 20 0 FCADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC001262035697 858764405 /nfs/dbraw/zinc/76/44/05/858764405.db2.gz SAAHBACTOWBWIG-KRWDZBQOSA-N 2 2 367.515 0.838 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@H+]1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001262378993 858894221 /nfs/dbraw/zinc/89/42/21/858894221.db2.gz PTVIIVJIHMSWBQ-QLFBSQMISA-N 2 2 355.508 0.700 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001262378993 858894236 /nfs/dbraw/zinc/89/42/36/858894236.db2.gz PTVIIVJIHMSWBQ-QLFBSQMISA-N 2 2 355.508 0.700 20 0 FCADLP COC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267930285 859519542 /nfs/dbraw/zinc/51/95/42/859519542.db2.gz ZPVVAIKILAKTEX-RFBLXINOSA-N 2 2 350.463 0.548 20 0 FCADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001272466627 860160094 /nfs/dbraw/zinc/16/00/94/860160094.db2.gz DWYNXVGXVGFSOD-UYTSQGDYSA-N 2 2 352.435 0.149 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218894 860413010 /nfs/dbraw/zinc/41/30/10/860413010.db2.gz YMPTUGDZZSXSSM-PKOBYXMFSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218894 860413014 /nfs/dbraw/zinc/41/30/14/860413014.db2.gz YMPTUGDZZSXSSM-PKOBYXMFSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)C1 ZINC001273218894 860413021 /nfs/dbraw/zinc/41/30/21/860413021.db2.gz YMPTUGDZZSXSSM-PKOBYXMFSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)C1 ZINC001273218894 860413026 /nfs/dbraw/zinc/41/30/26/860413026.db2.gz YMPTUGDZZSXSSM-PKOBYXMFSA-N 2 2 351.491 0.953 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)C1CS(=O)(=O)C1 ZINC001274192192 860703691 /nfs/dbraw/zinc/70/36/91/860703691.db2.gz NMEGPFILZOZBKQ-SJORKVTESA-N 2 2 366.487 0.479 20 0 FCADLP CCCCC[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001275106483 860935840 /nfs/dbraw/zinc/93/58/40/860935840.db2.gz RLQJHKFIXKOQJT-UHFFFAOYSA-N 2 2 352.523 0.727 20 0 FCADLP CCCCC[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275106483 860935853 /nfs/dbraw/zinc/93/58/53/860935853.db2.gz RLQJHKFIXKOQJT-UHFFFAOYSA-N 2 2 352.523 0.727 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001275172411 860976949 /nfs/dbraw/zinc/97/69/49/860976949.db2.gz WGFYJJAVQLLAGA-PMPSAXMXSA-N 2 2 363.531 0.730 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001275172411 860976970 /nfs/dbraw/zinc/97/69/70/860976970.db2.gz WGFYJJAVQLLAGA-PMPSAXMXSA-N 2 2 363.531 0.730 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001275172411 860976986 /nfs/dbraw/zinc/97/69/86/860976986.db2.gz WGFYJJAVQLLAGA-PMPSAXMXSA-N 2 2 363.531 0.730 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001275172411 860976997 /nfs/dbraw/zinc/97/69/97/860976997.db2.gz WGFYJJAVQLLAGA-PMPSAXMXSA-N 2 2 363.531 0.730 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556879 861127541 /nfs/dbraw/zinc/12/75/41/861127541.db2.gz PQTQOHXDGDTDOX-RRQGHBQHSA-N 2 2 358.433 0.167 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556879 861127544 /nfs/dbraw/zinc/12/75/44/861127544.db2.gz PQTQOHXDGDTDOX-RRQGHBQHSA-N 2 2 358.433 0.167 20 0 FCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(N)ncnc1Cl ZINC001275579892 861134736 /nfs/dbraw/zinc/13/47/36/861134736.db2.gz ZSZGHOKDZWVXOU-CHWSQXEVSA-N 2 2 352.870 0.839 20 0 FCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(N)ncnc1Cl ZINC001275579892 861134743 /nfs/dbraw/zinc/13/47/43/861134743.db2.gz ZSZGHOKDZWVXOU-CHWSQXEVSA-N 2 2 352.870 0.839 20 0 FCADLP COC(CN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O)OC ZINC001275743282 861185261 /nfs/dbraw/zinc/18/52/61/861185261.db2.gz OMVFQABMFZUODI-UHFFFAOYSA-N 2 2 355.479 0.250 20 0 FCADLP c1cn(CCN2CCO[C@@]3(CCC[N@H+](C[C@@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028638 863203849 /nfs/dbraw/zinc/20/38/49/863203849.db2.gz OAGXEBRRMVJEJC-MSOLQXFVSA-N 2 2 350.463 0.465 20 0 FCADLP c1cn(CCN2CCO[C@@]3(CCC[N@@H+](C[C@@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028638 863203858 /nfs/dbraw/zinc/20/38/58/863203858.db2.gz OAGXEBRRMVJEJC-MSOLQXFVSA-N 2 2 350.463 0.465 20 0 FCADLP CN(C)S(=O)(=O)N1CCCC2(CC[NH+](CCn3cc[nH+]c3)CC2)C1 ZINC001280039106 863212131 /nfs/dbraw/zinc/21/21/31/863212131.db2.gz IEMFEIXPNDDSSN-UHFFFAOYSA-N 2 2 355.508 0.868 20 0 FCADLP C[NH+]1CCC([N@@H+]2C[C@@H]3OCCN(C(=O)Cn4cc(Cl)cn4)[C@H]3C2)CC1 ZINC001280070374 863240515 /nfs/dbraw/zinc/24/05/15/863240515.db2.gz TVIPTLFJPKXQQF-HOTGVXAUSA-N 2 2 367.881 0.542 20 0 FCADLP C[NH+]1CCC([N@H+]2C[C@@H]3OCCN(C(=O)Cn4cc(Cl)cn4)[C@H]3C2)CC1 ZINC001280070374 863240530 /nfs/dbraw/zinc/24/05/30/863240530.db2.gz TVIPTLFJPKXQQF-HOTGVXAUSA-N 2 2 367.881 0.542 20 0 FCADLP CS(=O)(=O)CCNC(=O)c1cc2c([nH]1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001280136074 863287332 /nfs/dbraw/zinc/28/73/32/863287332.db2.gz ASCZGKLQRFIXQB-UHFFFAOYSA-N 2 2 368.503 0.147 20 0 FCADLP CS(=O)(=O)CCNC(=O)c1cc2c([nH]1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001280136074 863287340 /nfs/dbraw/zinc/28/73/40/863287340.db2.gz ASCZGKLQRFIXQB-UHFFFAOYSA-N 2 2 368.503 0.147 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280188348 863317074 /nfs/dbraw/zinc/31/70/74/863317074.db2.gz FRRANWZEZACVHF-BBWFWOEESA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280188348 863317089 /nfs/dbraw/zinc/31/70/89/863317089.db2.gz FRRANWZEZACVHF-BBWFWOEESA-N 2 2 351.491 0.401 20 0 FCADLP COC(=O)CS(=O)(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001280203093 863331098 /nfs/dbraw/zinc/33/10/98/863331098.db2.gz MNIQORLNCRZQQE-CVEARBPZSA-N 2 2 370.475 0.411 20 0 FCADLP COCCOCN1CC[N@H+](CCC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280221371 863344772 /nfs/dbraw/zinc/34/47/72/863344772.db2.gz VKCWFFCZBRFDCZ-GOSISDBHSA-N 2 2 356.511 0.215 20 0 FCADLP COCCOCN1CC[N@@H+](CCC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001280221371 863344778 /nfs/dbraw/zinc/34/47/78/863344778.db2.gz VKCWFFCZBRFDCZ-GOSISDBHSA-N 2 2 356.511 0.215 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001349214514 866266112 /nfs/dbraw/zinc/26/61/12/866266112.db2.gz HBFJXWQEKWBGSU-CQSZACIVSA-N 2 2 356.536 0.483 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001349214514 866266131 /nfs/dbraw/zinc/26/61/31/866266131.db2.gz HBFJXWQEKWBGSU-CQSZACIVSA-N 2 2 356.536 0.483 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001349264313 866282687 /nfs/dbraw/zinc/28/26/87/866282687.db2.gz HELRXIBKYIUXPU-QBPKDAKJSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001349264313 866282700 /nfs/dbraw/zinc/28/27/00/866282700.db2.gz HELRXIBKYIUXPU-QBPKDAKJSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001349264313 866282714 /nfs/dbraw/zinc/28/27/14/866282714.db2.gz HELRXIBKYIUXPU-QBPKDAKJSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001349264313 866282726 /nfs/dbraw/zinc/28/27/26/866282726.db2.gz HELRXIBKYIUXPU-QBPKDAKJSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC001352229418 867068619 /nfs/dbraw/zinc/06/86/19/867068619.db2.gz BTHBAVNRUHPXQK-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001317446201 867532297 /nfs/dbraw/zinc/53/22/97/867532297.db2.gz YKJPHDIVCHCNKS-MGPQQGTHSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001317446201 867532305 /nfs/dbraw/zinc/53/23/05/867532305.db2.gz YKJPHDIVCHCNKS-MGPQQGTHSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001317446201 867532314 /nfs/dbraw/zinc/53/23/14/867532314.db2.gz YKJPHDIVCHCNKS-MGPQQGTHSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001317446201 867532324 /nfs/dbraw/zinc/53/23/24/867532324.db2.gz YKJPHDIVCHCNKS-MGPQQGTHSA-N 2 2 351.451 0.698 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001318385207 867655363 /nfs/dbraw/zinc/65/53/63/867655363.db2.gz ZKLKUEKFYDIEAW-CQSZACIVSA-N 2 2 372.535 0.279 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001318385207 867655373 /nfs/dbraw/zinc/65/53/73/867655373.db2.gz ZKLKUEKFYDIEAW-CQSZACIVSA-N 2 2 372.535 0.279 20 0 FCADLP CN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCC[N@H+](C)C1 ZINC001355226828 867749586 /nfs/dbraw/zinc/74/95/86/867749586.db2.gz QZVYUGUQDNEQPO-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP CN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCC[N@@H+](C)C1 ZINC001355226828 867749604 /nfs/dbraw/zinc/74/96/04/867749604.db2.gz QZVYUGUQDNEQPO-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001357376277 868107301 /nfs/dbraw/zinc/10/73/01/868107301.db2.gz OEKLFDYCRQQFEE-INIZCTEOSA-N 2 2 368.503 0.209 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357896530 868160928 /nfs/dbraw/zinc/16/09/28/868160928.db2.gz DMQGODJTMVQNNK-MRXNPFEDSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357896530 868160936 /nfs/dbraw/zinc/16/09/36/868160936.db2.gz DMQGODJTMVQNNK-MRXNPFEDSA-N 2 2 359.536 0.732 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC001321774084 868606466 /nfs/dbraw/zinc/60/64/66/868606466.db2.gz WOBQQMHOEZBCFB-ZDUSSCGKSA-N 2 2 353.492 0.109 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC001321964930 868682651 /nfs/dbraw/zinc/68/26/51/868682651.db2.gz ZXWVRCYTRRHBSI-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)CSCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001323955413 869426471 /nfs/dbraw/zinc/42/64/71/869426471.db2.gz FPTUGVBIZQESMJ-UHFFFAOYSA-N 2 2 372.579 0.976 20 0 FCADLP CC(C)CSCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001323955413 869426477 /nfs/dbraw/zinc/42/64/77/869426477.db2.gz FPTUGVBIZQESMJ-UHFFFAOYSA-N 2 2 372.579 0.976 20 0 FCADLP COC(=O)CC[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC001328492797 871460402 /nfs/dbraw/zinc/46/04/02/871460402.db2.gz QBDAIBUXJZJZMI-UHFFFAOYSA-N 2 2 355.385 0.762 20 0 FCADLP COC(=O)CC[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC001328492797 871460410 /nfs/dbraw/zinc/46/04/10/871460410.db2.gz QBDAIBUXJZJZMI-UHFFFAOYSA-N 2 2 355.385 0.762 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[nH]n1 ZINC001346045011 871619765 /nfs/dbraw/zinc/61/97/65/871619765.db2.gz RALSWGOXSXYXPQ-HNNXBMFYSA-N 2 2 351.451 0.619 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[nH]n1 ZINC001346045011 871619776 /nfs/dbraw/zinc/61/97/76/871619776.db2.gz RALSWGOXSXYXPQ-HNNXBMFYSA-N 2 2 351.451 0.619 20 0 FCADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC001346289672 871754235 /nfs/dbraw/zinc/75/42/35/871754235.db2.gz XOPWDJLWFCVVTF-HOCLYGCPSA-N 2 2 355.504 0.298 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001329221413 871899000 /nfs/dbraw/zinc/89/90/00/871899000.db2.gz FBDCYNTVCKVVLL-RAIGVLPGSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001329221413 871899020 /nfs/dbraw/zinc/89/90/20/871899020.db2.gz FBDCYNTVCKVVLL-RAIGVLPGSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC[N@@H+](C2CC2)C1 ZINC001346553835 871900082 /nfs/dbraw/zinc/90/00/82/871900082.db2.gz LWHJAMOHEUCBTL-HNNXBMFYSA-N 2 2 352.479 0.561 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC[NH+](C2CC2)C1 ZINC001346553835 871900125 /nfs/dbraw/zinc/90/01/25/871900125.db2.gz LWHJAMOHEUCBTL-HNNXBMFYSA-N 2 2 352.479 0.561 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC[NH+](C2CC2)C1 ZINC001346553835 871900147 /nfs/dbraw/zinc/90/01/47/871900147.db2.gz LWHJAMOHEUCBTL-HNNXBMFYSA-N 2 2 352.479 0.561 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001346779005 871998756 /nfs/dbraw/zinc/99/87/56/871998756.db2.gz RPCNPZQTWDXTEW-YESZJQIVSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001346779005 871998767 /nfs/dbraw/zinc/99/87/67/871998767.db2.gz RPCNPZQTWDXTEW-YESZJQIVSA-N 2 2 353.511 0.127 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001329677145 872174009 /nfs/dbraw/zinc/17/40/09/872174009.db2.gz XMHVHPJBLQPCQU-OKILXGFUSA-N 2 2 358.433 0.194 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001329677145 872174017 /nfs/dbraw/zinc/17/40/17/872174017.db2.gz XMHVHPJBLQPCQU-OKILXGFUSA-N 2 2 358.433 0.194 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001347186687 872209637 /nfs/dbraw/zinc/20/96/37/872209637.db2.gz NIKUXRCSWCFBSS-CVEARBPZSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001347186687 872209659 /nfs/dbraw/zinc/20/96/59/872209659.db2.gz NIKUXRCSWCFBSS-CVEARBPZSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001347186687 872209678 /nfs/dbraw/zinc/20/96/78/872209678.db2.gz NIKUXRCSWCFBSS-CVEARBPZSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001347186687 872209696 /nfs/dbraw/zinc/20/96/96/872209696.db2.gz NIKUXRCSWCFBSS-CVEARBPZSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017485 872561742 /nfs/dbraw/zinc/56/17/42/872561742.db2.gz CPPORHYRFCLYBG-TZMCWYRMSA-N 2 2 350.471 0.081 20 0 FCADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017485 872561751 /nfs/dbraw/zinc/56/17/51/872561751.db2.gz CPPORHYRFCLYBG-TZMCWYRMSA-N 2 2 350.471 0.081 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348664298 872756358 /nfs/dbraw/zinc/75/63/58/872756358.db2.gz NAIPWFWJAIRHCZ-YESZJQIVSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC001348664298 872756367 /nfs/dbraw/zinc/75/63/67/872756367.db2.gz NAIPWFWJAIRHCZ-YESZJQIVSA-N 2 2 355.527 0.373 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC001331502645 873126577 /nfs/dbraw/zinc/12/65/77/873126577.db2.gz JNFNIORWEHUYDV-UHFFFAOYSA-N 2 2 359.536 0.780 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC001331690417 873197961 /nfs/dbraw/zinc/19/79/61/873197961.db2.gz USDVBTZNOZCEPE-ZDUSSCGKSA-N 2 2 366.487 0.896 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+]1CCC[C@@H](C(=O)[O-])C1 ZINC001332653825 873601050 /nfs/dbraw/zinc/60/10/50/873601050.db2.gz RFBQTPRFNMKWAD-OAHLLOKOSA-N 2 2 354.495 0.267 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+]1CCC[C@@H](C(=O)[O-])C1 ZINC001332653825 873601052 /nfs/dbraw/zinc/60/10/52/873601052.db2.gz RFBQTPRFNMKWAD-OAHLLOKOSA-N 2 2 354.495 0.267 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001332653825 873601056 /nfs/dbraw/zinc/60/10/56/873601056.db2.gz RFBQTPRFNMKWAD-OAHLLOKOSA-N 2 2 354.495 0.267 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC001332653825 873601060 /nfs/dbraw/zinc/60/10/60/873601060.db2.gz RFBQTPRFNMKWAD-OAHLLOKOSA-N 2 2 354.495 0.267 20 0 FCADLP CC(=O)N1CC[NH+]([C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573450439 945821984 /nfs/dbraw/zinc/82/19/84/945821984.db2.gz GUGIRIIXOFUTCV-CQSZACIVSA-N 2 2 356.434 0.313 20 0 FCADLP CN(C)C(=O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825839513 947343474 /nfs/dbraw/zinc/34/34/74/947343474.db2.gz IBKJOJJBLZKCAT-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CN1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000826017639 947404852 /nfs/dbraw/zinc/40/48/52/947404852.db2.gz MNIRMBANSMRSPD-MRXNPFEDSA-N 2 2 355.446 0.651 20 0 FCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920859 948908346 /nfs/dbraw/zinc/90/83/46/948908346.db2.gz PQWMNDGHDNJWLC-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574432512 948934645 /nfs/dbraw/zinc/93/46/45/948934645.db2.gz LSFBAKKASFWYCT-LBPRGKRZSA-N 2 2 369.433 0.620 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923385 948944248 /nfs/dbraw/zinc/94/42/48/948944248.db2.gz LDOJJIFSNJNVDI-GFCCVEGCSA-N 2 2 355.406 0.135 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574947078 949441922 /nfs/dbraw/zinc/44/19/22/949441922.db2.gz ZBZGHKSCWDWRSK-LLVKDONJSA-N 2 2 372.408 0.576 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574947080 949445153 /nfs/dbraw/zinc/44/51/53/949445153.db2.gz ZBZGHKSCWDWRSK-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574949414 949495239 /nfs/dbraw/zinc/49/52/39/949495239.db2.gz VYPMZCDGDLLEDP-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724001 949860180 /nfs/dbraw/zinc/86/01/80/949860180.db2.gz DROKXDXZIGJYHZ-GFCCVEGCSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724001 949860201 /nfs/dbraw/zinc/86/02/01/949860201.db2.gz DROKXDXZIGJYHZ-GFCCVEGCSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001575286500 949984190 /nfs/dbraw/zinc/98/41/90/949984190.db2.gz XGAHHSDCNFVNEK-NEPJUHHUSA-N 2 2 355.406 0.276 20 0 FCADLP CC1CC[NH+](CC(=O)N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001576204622 950468788 /nfs/dbraw/zinc/46/87/88/950468788.db2.gz QTELFBKSSCELCT-UHFFFAOYSA-N 2 2 370.461 0.642 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575077546 951670750 /nfs/dbraw/zinc/67/07/50/951670750.db2.gz GLBNPNVEOXHAFD-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575078878 951685687 /nfs/dbraw/zinc/68/56/87/951685687.db2.gz NRAZOUQVMGPFCQ-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575079830 951698248 /nfs/dbraw/zinc/69/82/48/951698248.db2.gz GWKVPDPZPPUIHH-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575081152 951719245 /nfs/dbraw/zinc/71/92/45/951719245.db2.gz OWYCSYOLINXDAB-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089437 951748522 /nfs/dbraw/zinc/74/85/22/951748522.db2.gz FPAKNNXSAVZBGZ-LBPRGKRZSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575095090 951809078 /nfs/dbraw/zinc/80/90/78/951809078.db2.gz RDPLQVFOAZRKLV-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571051742 951813001 /nfs/dbraw/zinc/81/30/01/951813001.db2.gz HVAGVHHDOUULGE-ZENOOKHLSA-N 2 2 368.445 0.251 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571051742 951813007 /nfs/dbraw/zinc/81/30/07/951813007.db2.gz HVAGVHHDOUULGE-ZENOOKHLSA-N 2 2 368.445 0.251 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571070524 952039923 /nfs/dbraw/zinc/03/99/23/952039923.db2.gz NMHIGSKUCKNZAX-CQSZACIVSA-N 2 2 370.392 0.593 20 0 FCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266024691 210266812 /nfs/dbraw/zinc/26/68/12/210266812.db2.gz PWNQMQKLNDOJOZ-OAHLLOKOSA-N 2 2 369.487 0.367 20 0 FCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266024691 210266816 /nfs/dbraw/zinc/26/68/16/210266816.db2.gz PWNQMQKLNDOJOZ-OAHLLOKOSA-N 2 2 369.487 0.367 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cn2cc[nH+]c12 ZINC000294122409 214224480 /nfs/dbraw/zinc/22/44/80/214224480.db2.gz PBJXLTQZHGZXMP-UHFFFAOYSA-N 2 2 371.441 0.904 20 0 FCADLP CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000295429303 214296524 /nfs/dbraw/zinc/29/65/24/214296524.db2.gz QAENEKWIOAORJW-CEXWTWQISA-N 2 2 359.470 0.819 20 0 FCADLP Cc1[nH+]ccn1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000297205099 214385899 /nfs/dbraw/zinc/38/58/99/214385899.db2.gz WKXZYSHTWDWLBQ-UHFFFAOYSA-N 2 2 365.459 0.670 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000297734583 214437595 /nfs/dbraw/zinc/43/75/95/214437595.db2.gz HLNHUVYMDDLUDF-JKSUJKDBSA-N 2 2 363.462 0.083 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCc2[nH+]ccn2C)c(OCC[NH+](C)C)c1 ZINC000265743402 210211320 /nfs/dbraw/zinc/21/13/20/210211320.db2.gz DTZSXXSDJTYJMK-UHFFFAOYSA-N 2 2 359.430 0.924 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000410632729 529903989 /nfs/dbraw/zinc/90/39/89/529903989.db2.gz QQRIKUCENPNSHQ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000410632729 529903990 /nfs/dbraw/zinc/90/39/90/529903990.db2.gz QQRIKUCENPNSHQ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000410609745 529948188 /nfs/dbraw/zinc/94/81/88/529948188.db2.gz SSFRWZPGSRBMPG-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000410609745 529948189 /nfs/dbraw/zinc/94/81/89/529948189.db2.gz SSFRWZPGSRBMPG-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285710 530006184 /nfs/dbraw/zinc/00/61/84/530006184.db2.gz LFJONWBYHWREFG-ROUUACIJSA-N 2 2 373.501 0.559 20 0 FCADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285710 530006185 /nfs/dbraw/zinc/00/61/85/530006185.db2.gz LFJONWBYHWREFG-ROUUACIJSA-N 2 2 373.501 0.559 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285710 530006187 /nfs/dbraw/zinc/00/61/87/530006187.db2.gz LFJONWBYHWREFG-ROUUACIJSA-N 2 2 373.501 0.559 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000195285710 530006188 /nfs/dbraw/zinc/00/61/88/530006188.db2.gz LFJONWBYHWREFG-ROUUACIJSA-N 2 2 373.501 0.559 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000265494561 210149275 /nfs/dbraw/zinc/14/92/75/210149275.db2.gz BRXNPKBJYPDXIE-MRXNPFEDSA-N 2 2 363.462 0.438 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000265494561 210149277 /nfs/dbraw/zinc/14/92/77/210149277.db2.gz BRXNPKBJYPDXIE-MRXNPFEDSA-N 2 2 363.462 0.438 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000264923723 530062915 /nfs/dbraw/zinc/06/29/15/530062915.db2.gz WPUSTYPDWJIXPM-HOTGVXAUSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000264923723 530062916 /nfs/dbraw/zinc/06/29/16/530062916.db2.gz WPUSTYPDWJIXPM-HOTGVXAUSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000264923723 530062917 /nfs/dbraw/zinc/06/29/17/530062917.db2.gz WPUSTYPDWJIXPM-HOTGVXAUSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000264923723 530062918 /nfs/dbraw/zinc/06/29/18/530062918.db2.gz WPUSTYPDWJIXPM-HOTGVXAUSA-N 2 2 374.489 0.492 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000331611997 215023138 /nfs/dbraw/zinc/02/31/38/215023138.db2.gz KCIMGJFUTFRUEK-JKSUJKDBSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000331611997 215023141 /nfs/dbraw/zinc/02/31/41/215023141.db2.gz KCIMGJFUTFRUEK-JKSUJKDBSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000265122324 210061508 /nfs/dbraw/zinc/06/15/08/210061508.db2.gz VXTSQXOMRYZJBC-KGLIPLIRSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000331827119 215052563 /nfs/dbraw/zinc/05/25/63/215052563.db2.gz RHBMRAYVJJCTSB-SOLBZPMBSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000331827119 215052565 /nfs/dbraw/zinc/05/25/65/215052565.db2.gz RHBMRAYVJJCTSB-SOLBZPMBSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000331827103 215052904 /nfs/dbraw/zinc/05/29/04/215052904.db2.gz RHBMRAYVJJCTSB-JFIYKMOQSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000331827103 215052907 /nfs/dbraw/zinc/05/29/07/215052907.db2.gz RHBMRAYVJJCTSB-JFIYKMOQSA-N 2 2 358.486 0.581 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265128489 210060993 /nfs/dbraw/zinc/06/09/93/210060993.db2.gz XWIZJKXHAPKEJA-UHFFFAOYSA-N 2 2 358.402 0.044 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000331992018 215076742 /nfs/dbraw/zinc/07/67/42/215076742.db2.gz ATLIYLVTTLQKBA-HZPDHXFCSA-N 2 2 359.474 0.638 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000331992018 215076744 /nfs/dbraw/zinc/07/67/44/215076744.db2.gz ATLIYLVTTLQKBA-HZPDHXFCSA-N 2 2 359.474 0.638 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000332056899 215084618 /nfs/dbraw/zinc/08/46/18/215084618.db2.gz NSJKBFFJRYTAON-UHFFFAOYSA-N 2 2 361.446 0.376 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332386697 215143125 /nfs/dbraw/zinc/14/31/25/215143125.db2.gz YGBBRKDSZQZOKO-HZMVEIRTSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332386697 215143128 /nfs/dbraw/zinc/14/31/28/215143128.db2.gz YGBBRKDSZQZOKO-HZMVEIRTSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000332502509 215163735 /nfs/dbraw/zinc/16/37/35/215163735.db2.gz ZSLKUWMJAWINGY-CYBMUJFWSA-N 2 2 350.488 0.903 20 0 FCADLP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000332525844 215169397 /nfs/dbraw/zinc/16/93/97/215169397.db2.gz NBPAMYYMIALKAT-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@@H]1C ZINC000332551512 215176503 /nfs/dbraw/zinc/17/65/03/215176503.db2.gz PVBLXNZEDSLBCQ-IRXDYDNUSA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@@H]1C ZINC000332551512 215176506 /nfs/dbraw/zinc/17/65/06/215176506.db2.gz PVBLXNZEDSLBCQ-IRXDYDNUSA-N 2 2 373.501 0.980 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000332556510 215178388 /nfs/dbraw/zinc/17/83/88/215178388.db2.gz TYBGCSCHISCGPZ-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000332556510 215178391 /nfs/dbraw/zinc/17/83/91/215178391.db2.gz TYBGCSCHISCGPZ-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)[NH2+]1 ZINC000332563237 215180191 /nfs/dbraw/zinc/18/01/91/215180191.db2.gz XSFNDBQLRQSCEE-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)[NH2+]1 ZINC000332563237 215180195 /nfs/dbraw/zinc/18/01/95/215180195.db2.gz XSFNDBQLRQSCEE-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000332581065 215183696 /nfs/dbraw/zinc/18/36/96/215183696.db2.gz FSOAKVOHGISXOM-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@H]1C ZINC000332581065 215183700 /nfs/dbraw/zinc/18/37/00/215183700.db2.gz FSOAKVOHGISXOM-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@H]1C ZINC000332581065 215183703 /nfs/dbraw/zinc/18/37/03/215183703.db2.gz FSOAKVOHGISXOM-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@H]1C ZINC000332581065 215183706 /nfs/dbraw/zinc/18/37/06/215183706.db2.gz FSOAKVOHGISXOM-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C2 ZINC000332608196 215189258 /nfs/dbraw/zinc/18/92/58/215189258.db2.gz FFCATDWIJXOROX-UONOGXRCSA-N 2 2 361.490 0.872 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@]3(CCCOC3)C2)C1 ZINC000332781517 215211626 /nfs/dbraw/zinc/21/16/26/215211626.db2.gz WWSYBWXBDYQEQN-PKOBYXMFSA-N 2 2 369.506 0.341 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@]3(CCCOC3)C2)C1 ZINC000332781517 215211628 /nfs/dbraw/zinc/21/16/28/215211628.db2.gz WWSYBWXBDYQEQN-PKOBYXMFSA-N 2 2 369.506 0.341 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)C1 ZINC000332781517 215211632 /nfs/dbraw/zinc/21/16/32/215211632.db2.gz WWSYBWXBDYQEQN-PKOBYXMFSA-N 2 2 369.506 0.341 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)C1 ZINC000332781517 215211637 /nfs/dbraw/zinc/21/16/37/215211637.db2.gz WWSYBWXBDYQEQN-PKOBYXMFSA-N 2 2 369.506 0.341 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333006800 215223402 /nfs/dbraw/zinc/22/34/02/215223402.db2.gz OWEJRIREAKATRQ-TVFCKZIOSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000333402491 215276449 /nfs/dbraw/zinc/27/64/49/215276449.db2.gz FQABIMWJYNJMIV-GOSISDBHSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000333402491 215276452 /nfs/dbraw/zinc/27/64/52/215276452.db2.gz FQABIMWJYNJMIV-GOSISDBHSA-N 2 2 367.538 0.517 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333439199 215282353 /nfs/dbraw/zinc/28/23/53/215282353.db2.gz VVHWQPQKGLSGFC-CVEARBPZSA-N 2 2 354.495 0.635 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333439199 215282357 /nfs/dbraw/zinc/28/23/57/215282357.db2.gz VVHWQPQKGLSGFC-CVEARBPZSA-N 2 2 354.495 0.635 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000333459785 215285051 /nfs/dbraw/zinc/28/50/51/215285051.db2.gz GGTLCKFFLGHDBR-INMHGKMJSA-N 2 2 362.478 0.385 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)CC1 ZINC000333636306 215303615 /nfs/dbraw/zinc/30/36/15/215303615.db2.gz BNSDMJIDWJTJAN-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)CC1 ZINC000333636306 215303618 /nfs/dbraw/zinc/30/36/18/215303618.db2.gz BNSDMJIDWJTJAN-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333689261 215308929 /nfs/dbraw/zinc/30/89/29/215308929.db2.gz PORJTMOZTJZHGQ-DLBZAZTESA-N 2 2 365.522 0.714 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000333921802 215330996 /nfs/dbraw/zinc/33/09/96/215330996.db2.gz QWYRHFVIKLFUCX-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000285793124 213396343 /nfs/dbraw/zinc/39/63/43/213396343.db2.gz XPHMBHRPYAELBR-UHFFFAOYSA-N 2 2 371.485 0.995 20 0 FCADLP CCCN1C[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000334053295 215339874 /nfs/dbraw/zinc/33/98/74/215339874.db2.gz SSXDBCNLEWHVML-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000334064217 215339661 /nfs/dbraw/zinc/33/96/61/215339661.db2.gz CMAFKCFGPZFNSQ-CABCVRRESA-N 2 2 362.478 0.912 20 0 FCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000334064217 215339664 /nfs/dbraw/zinc/33/96/64/215339664.db2.gz CMAFKCFGPZFNSQ-CABCVRRESA-N 2 2 362.478 0.912 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285768679 213392879 /nfs/dbraw/zinc/39/28/79/213392879.db2.gz DIBWFBRJOWYRAS-NVXWUHKLSA-N 2 2 359.474 0.462 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285768679 213392882 /nfs/dbraw/zinc/39/28/82/213392882.db2.gz DIBWFBRJOWYRAS-NVXWUHKLSA-N 2 2 359.474 0.462 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC[N@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000334104742 215344148 /nfs/dbraw/zinc/34/41/48/215344148.db2.gz XPOALCFXHZYFBE-KZNAEPCWSA-N 2 2 368.522 0.992 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135037 215347838 /nfs/dbraw/zinc/34/78/38/215347838.db2.gz XQJJJKFRQADUJR-CVEARBPZSA-N 2 2 351.495 0.419 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135037 215347841 /nfs/dbraw/zinc/34/78/41/215347841.db2.gz XQJJJKFRQADUJR-CVEARBPZSA-N 2 2 351.495 0.419 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000360125253 215354099 /nfs/dbraw/zinc/35/40/99/215354099.db2.gz YYTQNZLMKRJRLU-UHFFFAOYSA-N 2 2 362.430 0.600 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000360509734 215361966 /nfs/dbraw/zinc/36/19/66/215361966.db2.gz ZEWPVPGQNGCLKX-QGZVFWFLSA-N 2 2 374.551 0.462 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000360509734 215361969 /nfs/dbraw/zinc/36/19/69/215361969.db2.gz ZEWPVPGQNGCLKX-QGZVFWFLSA-N 2 2 374.551 0.462 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000285353582 213329621 /nfs/dbraw/zinc/32/96/21/213329621.db2.gz VIBCLFSEBDNMMH-OAHLLOKOSA-N 2 2 368.441 0.790 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2sccc2C1 ZINC000285272143 213315284 /nfs/dbraw/zinc/31/52/84/213315284.db2.gz PTPPURVUQFCBRE-GFCCVEGCSA-N 2 2 361.471 0.661 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2sccc2C1 ZINC000285272143 213315287 /nfs/dbraw/zinc/31/52/87/213315287.db2.gz PTPPURVUQFCBRE-GFCCVEGCSA-N 2 2 361.471 0.661 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000285255370 213311788 /nfs/dbraw/zinc/31/17/88/213311788.db2.gz YFCUJCQSFKQTEF-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000285255370 213311790 /nfs/dbraw/zinc/31/17/90/213311790.db2.gz YFCUJCQSFKQTEF-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000285255370 213311793 /nfs/dbraw/zinc/31/17/93/213311793.db2.gz YFCUJCQSFKQTEF-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000285255370 213311795 /nfs/dbraw/zinc/31/17/95/213311795.db2.gz YFCUJCQSFKQTEF-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000285202664 213302339 /nfs/dbraw/zinc/30/23/39/213302339.db2.gz LOKJSQLSFLKWNB-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000285202664 213302341 /nfs/dbraw/zinc/30/23/41/213302341.db2.gz LOKJSQLSFLKWNB-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000284984064 213263043 /nfs/dbraw/zinc/26/30/43/213263043.db2.gz GYLRNNUJGNPLME-HNSVSWJLSA-N 2 2 362.478 0.654 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000284984064 213263045 /nfs/dbraw/zinc/26/30/45/213263045.db2.gz GYLRNNUJGNPLME-HNSVSWJLSA-N 2 2 362.478 0.654 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000284951944 213256644 /nfs/dbraw/zinc/25/66/44/213256644.db2.gz JSUXVNNFYUTMSZ-UHFFFAOYSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000284951944 213256647 /nfs/dbraw/zinc/25/66/47/213256647.db2.gz JSUXVNNFYUTMSZ-UHFFFAOYSA-N 2 2 374.485 0.550 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@H]2C1 ZINC000284928317 213251411 /nfs/dbraw/zinc/25/14/11/213251411.db2.gz NMYZIUADRYJOGE-HOCLYGCPSA-N 2 2 368.441 0.436 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@H]2C1 ZINC000284928317 213251413 /nfs/dbraw/zinc/25/14/13/213251413.db2.gz NMYZIUADRYJOGE-HOCLYGCPSA-N 2 2 368.441 0.436 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000284538866 213163814 /nfs/dbraw/zinc/16/38/14/213163814.db2.gz AUMYAVHDTGJIQU-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)c1cccs1 ZINC000284518169 213158559 /nfs/dbraw/zinc/15/85/59/213158559.db2.gz SXVQGDZWUPGMKU-CYBMUJFWSA-N 2 2 370.544 0.632 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284482893 213150218 /nfs/dbraw/zinc/15/02/18/213150218.db2.gz HLZQUJDBYKMCKV-CQSZACIVSA-N 2 2 361.490 0.953 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c[nH+]1 ZINC000284493560 213153265 /nfs/dbraw/zinc/15/32/65/213153265.db2.gz IFHNFJDPVLCDEO-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)n1C ZINC000284454602 213143993 /nfs/dbraw/zinc/14/39/93/213143993.db2.gz QBMMZOAKLHQQDY-CYBMUJFWSA-N 2 2 362.434 0.114 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000284451423 213141767 /nfs/dbraw/zinc/14/17/67/213141767.db2.gz PVACOYKXXXNKAW-OAHLLOKOSA-N 2 2 350.463 0.799 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccco1 ZINC000284352045 213118150 /nfs/dbraw/zinc/11/81/50/213118150.db2.gz KUBYXXNXRGZODB-CYBMUJFWSA-N 2 2 354.476 0.164 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000284284241 213102673 /nfs/dbraw/zinc/10/26/73/213102673.db2.gz IKEJLEGGXGVXTI-NVXWUHKLSA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000284284241 213102677 /nfs/dbraw/zinc/10/26/77/213102677.db2.gz IKEJLEGGXGVXTI-NVXWUHKLSA-N 2 2 369.469 0.936 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000284285227 213103262 /nfs/dbraw/zinc/10/32/62/213103262.db2.gz NPZTVQUZCVVUTD-DZGCQCFKSA-N 2 2 368.503 0.304 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000284178987 213091177 /nfs/dbraw/zinc/09/11/77/213091177.db2.gz ZOGCOTJEZDQIHP-UHFFFAOYSA-N 2 2 355.442 0.386 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c[nH+]1 ZINC000284024016 213057447 /nfs/dbraw/zinc/05/74/47/213057447.db2.gz JRSKBUYLRNAEAM-QGZVFWFLSA-N 2 2 365.503 0.317 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283979465 213048091 /nfs/dbraw/zinc/04/80/91/213048091.db2.gz MOYGAZHDOSBHQN-INIZCTEOSA-N 2 2 357.458 0.984 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283979465 213048093 /nfs/dbraw/zinc/04/80/93/213048093.db2.gz MOYGAZHDOSBHQN-INIZCTEOSA-N 2 2 357.458 0.984 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000283978682 213046242 /nfs/dbraw/zinc/04/62/42/213046242.db2.gz GDEAKPGMZDWHFL-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000283978682 213046243 /nfs/dbraw/zinc/04/62/43/213046243.db2.gz GDEAKPGMZDWHFL-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283951846 213041841 /nfs/dbraw/zinc/04/18/41/213041841.db2.gz MWTNVIQSBQDVSZ-OKILXGFUSA-N 2 2 351.451 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283951846 213041845 /nfs/dbraw/zinc/04/18/45/213041845.db2.gz MWTNVIQSBQDVSZ-OKILXGFUSA-N 2 2 351.451 0.003 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283924573 213035944 /nfs/dbraw/zinc/03/59/44/213035944.db2.gz FFGKBGCKIWIPMW-INIZCTEOSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000283924573 213035945 /nfs/dbraw/zinc/03/59/45/213035945.db2.gz FFGKBGCKIWIPMW-INIZCTEOSA-N 2 2 371.485 0.899 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000283806337 213011710 /nfs/dbraw/zinc/01/17/10/213011710.db2.gz IHUBRCHZILPJFI-KFWWJZLASA-N 2 2 365.478 0.392 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000283806337 213011712 /nfs/dbraw/zinc/01/17/12/213011712.db2.gz IHUBRCHZILPJFI-KFWWJZLASA-N 2 2 365.478 0.392 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000411935259 237115366 /nfs/dbraw/zinc/11/53/66/237115366.db2.gz DKNSIBBWWRFTLF-INIZCTEOSA-N 2 2 364.515 0.802 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000411935259 237115375 /nfs/dbraw/zinc/11/53/75/237115375.db2.gz DKNSIBBWWRFTLF-INIZCTEOSA-N 2 2 364.515 0.802 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411987776 237131544 /nfs/dbraw/zinc/13/15/44/237131544.db2.gz RHZCQNQIEYUGDK-NVXWUHKLSA-N 2 2 367.515 0.769 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411997947 237135022 /nfs/dbraw/zinc/13/50/22/237135022.db2.gz VMBMONCNZKNHRR-DLBZAZTESA-N 2 2 367.515 0.769 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC000412104711 237169498 /nfs/dbraw/zinc/16/94/98/237169498.db2.gz OCOLHGVDEQYQFD-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC000412104711 237169507 /nfs/dbraw/zinc/16/95/07/237169507.db2.gz OCOLHGVDEQYQFD-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1C ZINC000366838536 216040496 /nfs/dbraw/zinc/04/04/96/216040496.db2.gz GTTBXDKDAIEARL-QAETUUGQSA-N 2 2 367.490 0.487 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032318 216065581 /nfs/dbraw/zinc/06/55/81/216065581.db2.gz YWLWHGVUXMCORP-RDJZCZTQSA-N 2 2 359.474 0.313 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032318 216065584 /nfs/dbraw/zinc/06/55/84/216065584.db2.gz YWLWHGVUXMCORP-RDJZCZTQSA-N 2 2 359.474 0.313 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000367026793 216065693 /nfs/dbraw/zinc/06/56/93/216065693.db2.gz CRHHQMJFVLWSBP-CEXWTWQISA-N 3 2 365.566 0.497 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000367026793 216065696 /nfs/dbraw/zinc/06/56/96/216065696.db2.gz CRHHQMJFVLWSBP-CEXWTWQISA-N 3 2 365.566 0.497 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367200543 216090559 /nfs/dbraw/zinc/09/05/59/216090559.db2.gz JTHUROCQPYTYFJ-KSZLIROESA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367643146 216145825 /nfs/dbraw/zinc/14/58/25/216145825.db2.gz LWIXFXKBTXZBDZ-FUHIMQAGSA-N 2 2 362.518 0.921 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](CC(N)=O)C3)CC2)c1 ZINC000367987934 216189141 /nfs/dbraw/zinc/18/91/41/216189141.db2.gz IBWYBGUXJFRIGG-GOSISDBHSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246567121 209393327 /nfs/dbraw/zinc/39/33/27/209393327.db2.gz GCDDGAGFIUZFLN-BZSNNMDCSA-N 2 2 368.522 0.849 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCC[NH2+]1 ZINC000246293864 209382795 /nfs/dbraw/zinc/38/27/95/209382795.db2.gz DJGGFOKHBCBNTA-HUUCEWRRSA-N 2 2 360.462 0.150 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCC[NH2+]1 ZINC000246293864 209382798 /nfs/dbraw/zinc/38/27/98/209382798.db2.gz DJGGFOKHBCBNTA-HUUCEWRRSA-N 2 2 360.462 0.150 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000246197883 209381366 /nfs/dbraw/zinc/38/13/66/209381366.db2.gz VFYBFHFNAPFKON-CABCVRRESA-N 2 2 353.511 0.711 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000246197883 209381369 /nfs/dbraw/zinc/38/13/69/209381369.db2.gz VFYBFHFNAPFKON-CABCVRRESA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299457 216229525 /nfs/dbraw/zinc/22/95/25/216229525.db2.gz OSASVXHBUVDEIT-HLLBOEOZSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299457 216229527 /nfs/dbraw/zinc/22/95/27/216229527.db2.gz OSASVXHBUVDEIT-HLLBOEOZSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299457 216229529 /nfs/dbraw/zinc/22/95/29/216229529.db2.gz OSASVXHBUVDEIT-HLLBOEOZSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299457 216229533 /nfs/dbraw/zinc/22/95/33/216229533.db2.gz OSASVXHBUVDEIT-HLLBOEOZSA-N 2 2 354.495 0.648 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237336701 209351515 /nfs/dbraw/zinc/35/15/15/209351515.db2.gz WVMNUNOBVKXKSX-SJORKVTESA-N 2 2 367.515 0.919 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237336701 209351519 /nfs/dbraw/zinc/35/15/19/209351519.db2.gz WVMNUNOBVKXKSX-SJORKVTESA-N 2 2 367.515 0.919 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237336470 209350854 /nfs/dbraw/zinc/35/08/54/209350854.db2.gz WVMNUNOBVKXKSX-IRXDYDNUSA-N 2 2 367.515 0.919 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237336470 209350859 /nfs/dbraw/zinc/35/08/59/209350859.db2.gz WVMNUNOBVKXKSX-IRXDYDNUSA-N 2 2 367.515 0.919 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000237088319 209347783 /nfs/dbraw/zinc/34/77/83/209347783.db2.gz BFZCTTCBMVVLJL-ZDUSSCGKSA-N 2 2 354.476 0.417 20 0 FCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000236912653 209346417 /nfs/dbraw/zinc/34/64/17/209346417.db2.gz ISQYCXKBHVJGCI-PBHICJAKSA-N 2 2 362.478 0.335 20 0 FCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000236912653 209346421 /nfs/dbraw/zinc/34/64/21/209346421.db2.gz ISQYCXKBHVJGCI-PBHICJAKSA-N 2 2 362.478 0.335 20 0 FCADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000236879434 209344092 /nfs/dbraw/zinc/34/40/92/209344092.db2.gz SLXAECFLYMITFA-JKSUJKDBSA-N 2 2 355.504 0.948 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236848673 209343980 /nfs/dbraw/zinc/34/39/80/209343980.db2.gz RVTJOEGOFQIBNW-SFHVURJKSA-N 2 2 358.486 0.808 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195297952 209335404 /nfs/dbraw/zinc/33/54/04/209335404.db2.gz QYNHREDGHJFPBC-IBGZPJMESA-N 2 2 373.501 0.526 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195297952 209335407 /nfs/dbraw/zinc/33/54/07/209335407.db2.gz QYNHREDGHJFPBC-IBGZPJMESA-N 2 2 373.501 0.526 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195297952 209335412 /nfs/dbraw/zinc/33/54/12/209335412.db2.gz QYNHREDGHJFPBC-IBGZPJMESA-N 2 2 373.501 0.526 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195297952 209335416 /nfs/dbraw/zinc/33/54/16/209335416.db2.gz QYNHREDGHJFPBC-IBGZPJMESA-N 2 2 373.501 0.526 20 0 FCADLP C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)CCC[NH+]3CCOCC3)C2)CC1 ZINC000368392566 216243174 /nfs/dbraw/zinc/24/31/74/216243174.db2.gz GUUCDWQOTNVADG-QGZVFWFLSA-N 2 2 359.536 0.702 20 0 FCADLP COc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1F ZINC000192686729 209302563 /nfs/dbraw/zinc/30/25/63/209302563.db2.gz LHKNYPHZEZUQSR-OAHLLOKOSA-N 2 2 351.422 0.857 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000369027170 216333671 /nfs/dbraw/zinc/33/36/71/216333671.db2.gz MMWSMQSVLCARBJ-IRXDYDNUSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2=O)n1 ZINC000369027170 216333675 /nfs/dbraw/zinc/33/36/75/216333675.db2.gz MMWSMQSVLCARBJ-IRXDYDNUSA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000369248987 216371054 /nfs/dbraw/zinc/37/10/54/216371054.db2.gz GWGMLKYZWCQLSX-SZMVWBNQSA-N 2 2 363.506 0.861 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000369248987 216371059 /nfs/dbraw/zinc/37/10/59/216371059.db2.gz GWGMLKYZWCQLSX-SZMVWBNQSA-N 2 2 363.506 0.861 20 0 FCADLP CCCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273696 216373536 /nfs/dbraw/zinc/37/35/36/216373536.db2.gz IRIRKPBHLLHVRL-HOCLYGCPSA-N 2 2 368.547 0.973 20 0 FCADLP CCCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273696 216373540 /nfs/dbraw/zinc/37/35/40/216373540.db2.gz IRIRKPBHLLHVRL-HOCLYGCPSA-N 2 2 368.547 0.973 20 0 FCADLP Cc1csc(=O)n1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369279357 216376046 /nfs/dbraw/zinc/37/60/46/216376046.db2.gz XCEITYCZJNUNQN-AWEZNQCLSA-N 2 2 352.504 0.893 20 0 FCADLP Cc1csc(=O)n1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369279357 216376049 /nfs/dbraw/zinc/37/60/49/216376049.db2.gz XCEITYCZJNUNQN-AWEZNQCLSA-N 2 2 352.504 0.893 20 0 FCADLP Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)c2=O ZINC000369274553 216377128 /nfs/dbraw/zinc/37/71/28/216377128.db2.gz QAWVVBNOEBUKNI-OAHLLOKOSA-N 2 2 369.469 0.901 20 0 FCADLP Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)c2=O ZINC000369274553 216377132 /nfs/dbraw/zinc/37/71/32/216377132.db2.gz QAWVVBNOEBUKNI-OAHLLOKOSA-N 2 2 369.469 0.901 20 0 FCADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@](=O)C1 ZINC000369361565 216389845 /nfs/dbraw/zinc/38/98/45/216389845.db2.gz GACRJXVRFRIHGH-PUAOIOHZSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@](=O)C1 ZINC000369361565 216389847 /nfs/dbraw/zinc/38/98/47/216389847.db2.gz GACRJXVRFRIHGH-PUAOIOHZSA-N 2 2 364.515 0.821 20 0 FCADLP CCN1CCC[NH+](CCOCC[N@H+]2CCCN(CC)C(=O)C2)CC1=O ZINC000190169912 209267444 /nfs/dbraw/zinc/26/74/44/209267444.db2.gz FHGPPMYYAZIYMW-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP CCN1CCC[NH+](CCOCC[N@@H+]2CCCN(CC)C(=O)C2)CC1=O ZINC000190169912 209267447 /nfs/dbraw/zinc/26/74/47/209267447.db2.gz FHGPPMYYAZIYMW-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)nc1 ZINC000188958942 209243475 /nfs/dbraw/zinc/24/34/75/209243475.db2.gz PGBLRYLXIVFLEZ-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)nc1 ZINC000188958942 209243478 /nfs/dbraw/zinc/24/34/78/209243478.db2.gz PGBLRYLXIVFLEZ-UHFFFAOYSA-N 2 2 351.426 0.644 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188586044 209233027 /nfs/dbraw/zinc/23/30/27/209233027.db2.gz IPSHJWZAPILTBE-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188586044 209233029 /nfs/dbraw/zinc/23/30/29/209233029.db2.gz IPSHJWZAPILTBE-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276058 209228386 /nfs/dbraw/zinc/22/83/86/209228386.db2.gz WKPLENMPGGZOIP-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276058 209228390 /nfs/dbraw/zinc/22/83/90/209228390.db2.gz WKPLENMPGGZOIP-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276058 209228393 /nfs/dbraw/zinc/22/83/93/209228393.db2.gz WKPLENMPGGZOIP-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276058 209228394 /nfs/dbraw/zinc/22/83/94/209228394.db2.gz WKPLENMPGGZOIP-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](C)CC(=O)Nc1cnn(C[C@@H]2CCCCN2C(=O)C[NH+](C)C)c1 ZINC000276997190 212316260 /nfs/dbraw/zinc/31/62/60/212316260.db2.gz YAVFGMNWCXTLJS-HNNXBMFYSA-N 2 2 350.467 0.326 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](OCCO)C3)CC2)CC1 ZINC000188176716 209226707 /nfs/dbraw/zinc/22/67/07/209226707.db2.gz IFHINOWWKXLAGU-SFHVURJKSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000187269199 209209318 /nfs/dbraw/zinc/20/93/18/209209318.db2.gz SPBJNYHPRUWVTJ-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000187269199 209209322 /nfs/dbraw/zinc/20/93/22/209209322.db2.gz SPBJNYHPRUWVTJ-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000187269199 209209325 /nfs/dbraw/zinc/20/93/25/209209325.db2.gz SPBJNYHPRUWVTJ-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000187269199 209209327 /nfs/dbraw/zinc/20/93/27/209209327.db2.gz SPBJNYHPRUWVTJ-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000186940590 209202052 /nfs/dbraw/zinc/20/20/52/209202052.db2.gz BQRVYJUABDFAJA-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000186940590 209202055 /nfs/dbraw/zinc/20/20/55/209202055.db2.gz BQRVYJUABDFAJA-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000186940590 209202059 /nfs/dbraw/zinc/20/20/59/209202059.db2.gz BQRVYJUABDFAJA-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000186940590 209202061 /nfs/dbraw/zinc/20/20/61/209202061.db2.gz BQRVYJUABDFAJA-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]12 ZINC000186909192 209200859 /nfs/dbraw/zinc/20/08/59/209200859.db2.gz KEHOKOBODKLAOM-BRWVUGGUSA-N 2 2 371.485 0.706 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186653265 209194746 /nfs/dbraw/zinc/19/47/46/209194746.db2.gz RYPFLNUVCPZNMA-QGZVFWFLSA-N 2 2 353.426 0.909 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818837 212096822 /nfs/dbraw/zinc/09/68/22/212096822.db2.gz VVEHAZUVNVREFB-QAPCUYQASA-N 2 2 358.490 0.966 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818837 212096826 /nfs/dbraw/zinc/09/68/26/212096826.db2.gz VVEHAZUVNVREFB-QAPCUYQASA-N 2 2 358.490 0.966 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275604588 212059277 /nfs/dbraw/zinc/05/92/77/212059277.db2.gz HMHIRFUXPIZWTJ-QGZVFWFLSA-N 2 2 364.490 0.948 20 0 FCADLP Cn1nnc2cc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cnc21 ZINC000185697602 209179425 /nfs/dbraw/zinc/17/94/25/209179425.db2.gz YJORVCJLBHSLIC-UHFFFAOYSA-N 2 2 357.462 0.652 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000373280753 217004529 /nfs/dbraw/zinc/00/45/29/217004529.db2.gz YKHMJYCYWBVOKT-INIZCTEOSA-N 2 2 369.473 0.738 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000373280753 217004532 /nfs/dbraw/zinc/00/45/32/217004532.db2.gz YKHMJYCYWBVOKT-INIZCTEOSA-N 2 2 369.473 0.738 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415015953 245342855 /nfs/dbraw/zinc/34/28/55/245342855.db2.gz BPLYQQJDQDGPMF-CYBMUJFWSA-N 2 2 369.491 0.482 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000415079255 245344621 /nfs/dbraw/zinc/34/46/21/245344621.db2.gz JTWYLEHNFJBLJL-PBHICJAKSA-N 2 2 360.458 0.968 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000415243177 245367380 /nfs/dbraw/zinc/36/73/80/245367380.db2.gz VPBXZNXUBGGZCB-GDBMZVCRSA-N 2 2 350.467 0.854 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415268457 245373825 /nfs/dbraw/zinc/37/38/25/245373825.db2.gz JSGDZWNXRISCEE-HOCLYGCPSA-N 2 2 360.458 0.968 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1)[NH+]1CCOCC1 ZINC000415316333 245383649 /nfs/dbraw/zinc/38/36/49/245383649.db2.gz JGMSYEQFGVAINW-OAHLLOKOSA-N 2 2 360.458 0.840 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000185254209 209173861 /nfs/dbraw/zinc/17/38/61/209173861.db2.gz GGCZRTYPKZFFEU-GVDBMIGSSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000185254209 209173865 /nfs/dbraw/zinc/17/38/65/209173865.db2.gz GGCZRTYPKZFFEU-GVDBMIGSSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000185254209 209173866 /nfs/dbraw/zinc/17/38/66/209173866.db2.gz GGCZRTYPKZFFEU-GVDBMIGSSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000185254209 209173869 /nfs/dbraw/zinc/17/38/69/209173869.db2.gz GGCZRTYPKZFFEU-GVDBMIGSSA-N 2 2 356.511 0.440 20 0 FCADLP COC(=O)CCNC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373532556 217030057 /nfs/dbraw/zinc/03/00/57/217030057.db2.gz IQYSPJBCWVRKHM-LJQANCHMSA-N 2 2 363.458 0.235 20 0 FCADLP COC(=O)CCNC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373532556 217030060 /nfs/dbraw/zinc/03/00/60/217030060.db2.gz IQYSPJBCWVRKHM-LJQANCHMSA-N 2 2 363.458 0.235 20 0 FCADLP COC(=O)CCNC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373532556 217030063 /nfs/dbraw/zinc/03/00/63/217030063.db2.gz IQYSPJBCWVRKHM-LJQANCHMSA-N 2 2 363.458 0.235 20 0 FCADLP COC(=O)CCNC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373532556 217030065 /nfs/dbraw/zinc/03/00/65/217030065.db2.gz IQYSPJBCWVRKHM-LJQANCHMSA-N 2 2 363.458 0.235 20 0 FCADLP CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076188 217092822 /nfs/dbraw/zinc/09/28/22/217092822.db2.gz ZYURGTPYNSLSOG-APWZRJJASA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076188 217092824 /nfs/dbraw/zinc/09/28/24/217092824.db2.gz ZYURGTPYNSLSOG-APWZRJJASA-N 2 2 369.506 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000374325713 217118159 /nfs/dbraw/zinc/11/81/59/217118159.db2.gz QMCRRSHGLLNXEV-TVFCKZIOSA-N 2 2 352.523 0.580 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000374325713 217118160 /nfs/dbraw/zinc/11/81/60/217118160.db2.gz QMCRRSHGLLNXEV-TVFCKZIOSA-N 2 2 352.523 0.580 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217587 217109449 /nfs/dbraw/zinc/10/94/49/217109449.db2.gz AHPDGFKYJPVALQ-ZWKOTPCHSA-N 2 2 374.533 0.902 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)C1 ZINC000374217587 217109452 /nfs/dbraw/zinc/10/94/52/217109452.db2.gz AHPDGFKYJPVALQ-ZWKOTPCHSA-N 2 2 374.533 0.902 20 0 FCADLP Cc1nc(N2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cc[nH+]1 ZINC000184046697 209155837 /nfs/dbraw/zinc/15/58/37/209155837.db2.gz BNJXUIYJBOWGOG-UHFFFAOYSA-N 2 2 358.450 0.897 20 0 FCADLP COc1ccccc1[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]1 ZINC000374376380 217123463 /nfs/dbraw/zinc/12/34/63/217123463.db2.gz DIGLRAAIDYMCBE-DOTOQJQBSA-N 2 2 374.485 0.578 20 0 FCADLP COCCn1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000374492151 217135804 /nfs/dbraw/zinc/13/58/04/217135804.db2.gz LFHXUTGPYLLHGS-INIZCTEOSA-N 2 2 364.494 0.497 20 0 FCADLP COCCn1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000374492151 217135806 /nfs/dbraw/zinc/13/58/06/217135806.db2.gz LFHXUTGPYLLHGS-INIZCTEOSA-N 2 2 364.494 0.497 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000374753246 217167416 /nfs/dbraw/zinc/16/74/16/217167416.db2.gz ZBWLLJMBUQNJOH-HZPDHXFCSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183178978 209142872 /nfs/dbraw/zinc/14/28/72/209142872.db2.gz APNMIROTXXENNR-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183178978 209142875 /nfs/dbraw/zinc/14/28/75/209142875.db2.gz APNMIROTXXENNR-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP CCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166392 209127594 /nfs/dbraw/zinc/12/75/94/209127594.db2.gz UBPNCKXELAGCIZ-GJZGRUSLSA-N 2 2 362.478 0.526 20 0 FCADLP CCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166392 209127597 /nfs/dbraw/zinc/12/75/97/209127597.db2.gz UBPNCKXELAGCIZ-GJZGRUSLSA-N 2 2 362.478 0.526 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000375802010 217319171 /nfs/dbraw/zinc/31/91/71/217319171.db2.gz PTZVSTXSRZFDPL-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376185633 217366365 /nfs/dbraw/zinc/36/63/65/217366365.db2.gz VSIQHYZEGBFZOC-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000376246189 217374985 /nfs/dbraw/zinc/37/49/85/217374985.db2.gz CRJPRWLSIBMPSR-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP [NH3+]CCCCNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418535854 245797570 /nfs/dbraw/zinc/79/75/70/245797570.db2.gz ZTTUJLXXSIFNJJ-UHFFFAOYSA-N 2 2 365.453 0.622 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376324236 217385091 /nfs/dbraw/zinc/38/50/91/217385091.db2.gz SNVRIPKNQSBGNB-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376324236 217385094 /nfs/dbraw/zinc/38/50/94/217385094.db2.gz SNVRIPKNQSBGNB-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000419084316 245974013 /nfs/dbraw/zinc/97/40/13/245974013.db2.gz SYMFXADZWNQYBR-GJZGRUSLSA-N 2 2 359.405 0.715 20 0 FCADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000181036166 209107866 /nfs/dbraw/zinc/10/78/66/209107866.db2.gz HWQXXKZGTBALDZ-QGZVFWFLSA-N 3 2 352.523 0.772 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419124823 245998976 /nfs/dbraw/zinc/99/89/76/245998976.db2.gz YDKGKJYPNKFGFG-WBVHZDCISA-N 2 2 368.522 0.435 20 0 FCADLP C[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419124255 245999181 /nfs/dbraw/zinc/99/91/81/245999181.db2.gz XITRYSKVAFXSGI-MRXNPFEDSA-N 2 2 354.495 0.060 20 0 FCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022344 209107240 /nfs/dbraw/zinc/10/72/40/209107240.db2.gz FYYADOVBQHYZNN-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419110588 245986340 /nfs/dbraw/zinc/98/63/40/245986340.db2.gz CCBODRLESYOKPH-QGZVFWFLSA-N 2 2 366.506 0.276 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419159363 246024425 /nfs/dbraw/zinc/02/44/25/246024425.db2.gz XITZTBSURKFFTK-HZPDHXFCSA-N 2 2 369.469 0.951 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@H]21 ZINC000419212194 246057275 /nfs/dbraw/zinc/05/72/75/246057275.db2.gz ZKPBKVHKEJFRLR-GVDBMIGSSA-N 2 2 371.485 0.884 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@H]1C[NH3+] ZINC000419199852 246048041 /nfs/dbraw/zinc/04/80/41/246048041.db2.gz DCHBVGGTWCXSPE-HOCLYGCPSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419271572 246083025 /nfs/dbraw/zinc/08/30/25/246083025.db2.gz FVMYSELICCNKIH-PBHICJAKSA-N 2 2 355.442 0.804 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)[nH+]c1 ZINC000419302999 246091874 /nfs/dbraw/zinc/09/18/74/246091874.db2.gz RBMQZRIPNVTUMQ-GJZGRUSLSA-N 2 2 359.474 0.684 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[C@@H]1[NH3+] ZINC000419305241 246092904 /nfs/dbraw/zinc/09/29/04/246092904.db2.gz KWTUUEIJHOSIDO-HOCLYGCPSA-N 2 2 359.474 0.884 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)NCC(F)(F)C[NH3+])CC2)[nH+]c1 ZINC000419305401 246093990 /nfs/dbraw/zinc/09/39/90/246093990.db2.gz WVFPMQSJBXKZLX-UHFFFAOYSA-N 2 2 355.389 0.185 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000419303877 246091088 /nfs/dbraw/zinc/09/10/88/246091088.db2.gz ISMVSCDPLPTMTE-GJZGRUSLSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000419635290 246223759 /nfs/dbraw/zinc/22/37/59/246223759.db2.gz CVQWCFJCDXUJJC-TZMCWYRMSA-N 2 2 363.462 0.107 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419677807 246244846 /nfs/dbraw/zinc/24/48/46/246244846.db2.gz CWTQILJQQXYWBT-LZWOXQAQSA-N 2 2 354.495 0.236 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000419738826 246278134 /nfs/dbraw/zinc/27/81/34/246278134.db2.gz YUTWSACYBWSWCK-HUUCEWRRSA-N 2 2 359.474 0.671 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000419848146 246319749 /nfs/dbraw/zinc/31/97/49/246319749.db2.gz KLOYPBSUMQLJGP-UHFFFAOYSA-N 2 2 374.489 0.425 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419849378 246320386 /nfs/dbraw/zinc/32/03/86/246320386.db2.gz YJDMRILBLMDTAI-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858031 246328195 /nfs/dbraw/zinc/32/81/95/246328195.db2.gz KXUJRPXPHLVXBK-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858031 246328200 /nfs/dbraw/zinc/32/82/00/246328200.db2.gz KXUJRPXPHLVXBK-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419928879 246372871 /nfs/dbraw/zinc/37/28/71/246372871.db2.gz UJVKVGNHJQEGES-INIZCTEOSA-N 2 2 374.485 0.072 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419932200 246376091 /nfs/dbraw/zinc/37/60/91/246376091.db2.gz FCWBWHSVEMMMND-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419884686 246349581 /nfs/dbraw/zinc/34/95/81/246349581.db2.gz GMYDXIXGQNFWMI-DZGCQCFKSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419885661 246349994 /nfs/dbraw/zinc/34/99/94/246349994.db2.gz KKBGTHGAGFHVHS-BBWFWOEESA-N 2 2 373.501 0.791 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419886446 246350433 /nfs/dbraw/zinc/35/04/33/246350433.db2.gz PIQMJXSAKFRCFI-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908149 246363211 /nfs/dbraw/zinc/36/32/11/246363211.db2.gz DIDQGWZZVDPJOC-SJORKVTESA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908149 246363214 /nfs/dbraw/zinc/36/32/14/246363214.db2.gz DIDQGWZZVDPJOC-SJORKVTESA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419949926 246383645 /nfs/dbraw/zinc/38/36/45/246383645.db2.gz GPGAUIYXBVTFKU-VIFPVBQESA-N 2 2 368.235 0.424 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC2)s1 ZINC000419962763 246390856 /nfs/dbraw/zinc/39/08/56/246390856.db2.gz YGOFBCUMDKORJG-AWEZNQCLSA-N 2 2 366.531 0.926 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419972721 246396264 /nfs/dbraw/zinc/39/62/64/246396264.db2.gz ZPPYENFHNUNZQS-INIZCTEOSA-N 2 2 354.495 0.191 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419974518 246396704 /nfs/dbraw/zinc/39/67/04/246396704.db2.gz JNNPFIIJQDHICF-KRWDZBQOSA-N 2 2 358.486 0.837 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419973719 246396779 /nfs/dbraw/zinc/39/67/79/246396779.db2.gz ICTQHADMTABYGK-INIZCTEOSA-N 2 2 362.474 0.181 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420176620 246513177 /nfs/dbraw/zinc/51/31/77/246513177.db2.gz QLDCAFPVGBWLBP-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420176620 246513180 /nfs/dbraw/zinc/51/31/80/246513180.db2.gz QLDCAFPVGBWLBP-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420154204 246501613 /nfs/dbraw/zinc/50/16/13/246501613.db2.gz DBJKLUGHNRXIKT-BQFCYCMXSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420154204 246501616 /nfs/dbraw/zinc/50/16/16/246501616.db2.gz DBJKLUGHNRXIKT-BQFCYCMXSA-N 2 2 358.486 0.976 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423344424 247010171 /nfs/dbraw/zinc/01/01/71/247010171.db2.gz MTZGBXRKVHXJKA-VBQJREDUSA-N 2 2 363.458 0.802 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423344424 247010176 /nfs/dbraw/zinc/01/01/76/247010176.db2.gz MTZGBXRKVHXJKA-VBQJREDUSA-N 2 2 363.458 0.802 20 0 FCADLP CC(C)(C(=O)NCC(=O)NCC[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423363140 247011720 /nfs/dbraw/zinc/01/17/20/247011720.db2.gz NNZDNVBDLYFCIF-KRWDZBQOSA-N 2 2 362.474 0.277 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423376328 247016005 /nfs/dbraw/zinc/01/60/05/247016005.db2.gz UZFONWHLBDDYBG-HNNXBMFYSA-N 2 2 354.495 0.141 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000423403339 247020106 /nfs/dbraw/zinc/02/01/06/247020106.db2.gz XKBNLKLXDQGWQM-NHYWBVRUSA-N 2 2 355.385 0.936 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000423403339 247020111 /nfs/dbraw/zinc/02/01/11/247020111.db2.gz XKBNLKLXDQGWQM-NHYWBVRUSA-N 2 2 355.385 0.936 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000423689426 247111057 /nfs/dbraw/zinc/11/10/57/247111057.db2.gz YSIVEBIHZORKNU-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423606863 247071682 /nfs/dbraw/zinc/07/16/82/247071682.db2.gz KKTIIAWZKITTDZ-HIFRSBDPSA-N 2 2 353.488 0.892 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423619489 247079564 /nfs/dbraw/zinc/07/95/64/247079564.db2.gz YPWUBJXGBCSHKH-BQFCYCMXSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423619489 247079566 /nfs/dbraw/zinc/07/95/66/247079566.db2.gz YPWUBJXGBCSHKH-BQFCYCMXSA-N 2 2 358.486 0.915 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000423635674 247086412 /nfs/dbraw/zinc/08/64/12/247086412.db2.gz ALORERDSXWLRFE-NVXWUHKLSA-N 2 2 374.485 0.850 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423655085 247094249 /nfs/dbraw/zinc/09/42/49/247094249.db2.gz RPDNUEIOJPMUDW-HOTGVXAUSA-N 2 2 374.485 0.535 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)[NH+]2CCOCC2)s1 ZINC000423768024 247139812 /nfs/dbraw/zinc/13/98/12/247139812.db2.gz ZNFBFHXSZVHKTH-HUUCEWRRSA-N 2 2 353.488 0.925 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000423774336 247142079 /nfs/dbraw/zinc/14/20/79/247142079.db2.gz NOAFNCZPJABHMJ-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000423774336 247142082 /nfs/dbraw/zinc/14/20/82/247142082.db2.gz NOAFNCZPJABHMJ-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000423774340 247142435 /nfs/dbraw/zinc/14/24/35/247142435.db2.gz NOAFNCZPJABHMJ-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000423774340 247142448 /nfs/dbraw/zinc/14/24/48/247142448.db2.gz NOAFNCZPJABHMJ-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423827725 247143796 /nfs/dbraw/zinc/14/37/96/247143796.db2.gz NSNZXNBRZODYAO-BBRMVZONSA-N 2 2 356.829 0.806 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423827725 247143800 /nfs/dbraw/zinc/14/38/00/247143800.db2.gz NSNZXNBRZODYAO-BBRMVZONSA-N 2 2 356.829 0.806 20 0 FCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423899887 247148965 /nfs/dbraw/zinc/14/89/65/247148965.db2.gz LFQYVAXXGRJPLW-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CSC[NH2+]2)cc[nH+]1 ZINC000423930696 247153476 /nfs/dbraw/zinc/15/34/76/247153476.db2.gz WJPRJWKECIAVDV-SDDRHHMPSA-N 2 2 354.455 0.238 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000423717110 247121954 /nfs/dbraw/zinc/12/19/54/247121954.db2.gz JPHYVUQWNPBZOC-GJZGRUSLSA-N 2 2 362.474 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C[C@H](C)O1 ZINC000423739079 247135257 /nfs/dbraw/zinc/13/52/57/247135257.db2.gz QZGCKOSHNRNBGS-LVQVYYBASA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C[C@H](C)O1 ZINC000423739079 247135264 /nfs/dbraw/zinc/13/52/64/247135264.db2.gz QZGCKOSHNRNBGS-LVQVYYBASA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000424262252 247191703 /nfs/dbraw/zinc/19/17/03/247191703.db2.gz DJVQCGWKPOXPAG-CYBMUJFWSA-N 2 2 353.488 0.766 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298620 247194716 /nfs/dbraw/zinc/19/47/16/247194716.db2.gz DSFLEZZXRKEOKI-VXGBXAGGSA-N 2 2 356.448 0.141 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000424335285 247197616 /nfs/dbraw/zinc/19/76/16/247197616.db2.gz PDVCBSWSJHLAAD-UAXWRAGISA-N 2 2 368.503 0.759 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424048576 247163939 /nfs/dbraw/zinc/16/39/39/247163939.db2.gz XRWJMSHAUAWHLZ-UHFFFAOYSA-N 2 2 350.507 0.713 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424048576 247163945 /nfs/dbraw/zinc/16/39/45/247163945.db2.gz XRWJMSHAUAWHLZ-UHFFFAOYSA-N 2 2 350.507 0.713 20 0 FCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424131992 247172060 /nfs/dbraw/zinc/17/20/60/247172060.db2.gz JUUXVGYUNVADKD-HNNXBMFYSA-N 2 2 355.446 0.996 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000424195835 247179040 /nfs/dbraw/zinc/17/90/40/247179040.db2.gz YYHBPEKVEWVZQL-KBPBESRZSA-N 2 2 354.426 0.828 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000424195835 247179043 /nfs/dbraw/zinc/17/90/43/247179043.db2.gz YYHBPEKVEWVZQL-KBPBESRZSA-N 2 2 354.426 0.828 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424554264 247261062 /nfs/dbraw/zinc/26/10/62/247261062.db2.gz RYVFOXQKTGUJEZ-UONOGXRCSA-N 2 2 360.449 0.728 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCCc1cn3ccccc3[nH+]1)CC[NH2+]CC2 ZINC000424551545 247261588 /nfs/dbraw/zinc/26/15/88/247261588.db2.gz OXKYXWLHCQEBLI-HNNXBMFYSA-N 2 2 369.469 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000424554800 247262284 /nfs/dbraw/zinc/26/22/84/247262284.db2.gz SOCMOJCDELRCCG-CHWSQXEVSA-N 2 2 369.416 0.546 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425329803 247324919 /nfs/dbraw/zinc/32/49/19/247324919.db2.gz UJKRQRSEABQMFL-UHFFFAOYSA-N 2 2 350.511 0.862 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425329803 247324924 /nfs/dbraw/zinc/32/49/24/247324924.db2.gz UJKRQRSEABQMFL-UHFFFAOYSA-N 2 2 350.511 0.862 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H](C)O1 ZINC000435549765 248000469 /nfs/dbraw/zinc/00/04/69/248000469.db2.gz LWLSYQZACXCXCF-ZIAGYGMSSA-N 2 2 352.483 0.785 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C(=O)c1cnn(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567473 248001019 /nfs/dbraw/zinc/00/10/19/248001019.db2.gz LOCWMBAUVSHLHF-HNNXBMFYSA-N 2 2 370.457 0.990 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)CN1CSCC1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435573818 248001987 /nfs/dbraw/zinc/00/19/87/248001987.db2.gz KYULFWWORPYMPO-ZDUSSCGKSA-N 2 2 363.487 0.424 20 0 FCADLP C[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCC[NH2+]CC1 ZINC000435620797 248004192 /nfs/dbraw/zinc/00/41/92/248004192.db2.gz GBSYWPFBWLNHEU-AWEZNQCLSA-N 2 2 366.487 0.297 20 0 FCADLP C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCC[NH2+]CC1 ZINC000435620797 248004195 /nfs/dbraw/zinc/00/41/95/248004195.db2.gz GBSYWPFBWLNHEU-AWEZNQCLSA-N 2 2 366.487 0.297 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000436059101 248030365 /nfs/dbraw/zinc/03/03/65/248030365.db2.gz JVXVQRVOWFDDIU-IRXDYDNUSA-N 2 2 374.485 0.426 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000436059101 248030369 /nfs/dbraw/zinc/03/03/69/248030369.db2.gz JVXVQRVOWFDDIU-IRXDYDNUSA-N 2 2 374.485 0.426 20 0 FCADLP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCNC1=O ZINC000440954817 248226325 /nfs/dbraw/zinc/22/63/25/248226325.db2.gz INAQVMSTFHXWPX-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCNC1=O ZINC000440954817 248226328 /nfs/dbraw/zinc/22/63/28/248226328.db2.gz INAQVMSTFHXWPX-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441259305 248245668 /nfs/dbraw/zinc/24/56/68/248245668.db2.gz VEBUVGOUSRQYRS-GVDBMIGSSA-N 2 2 367.490 0.582 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441259305 248245671 /nfs/dbraw/zinc/24/56/71/248245671.db2.gz VEBUVGOUSRQYRS-GVDBMIGSSA-N 2 2 367.490 0.582 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763433 248295829 /nfs/dbraw/zinc/29/58/29/248295829.db2.gz IZQGQMZKWBHEQM-HZSPNIEDSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763433 248295830 /nfs/dbraw/zinc/29/58/30/248295830.db2.gz IZQGQMZKWBHEQM-HZSPNIEDSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000446369985 248388300 /nfs/dbraw/zinc/38/83/00/248388300.db2.gz IVYGLTXDRKMHJI-RUEZSYAVSA-N 2 2 351.491 0.698 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453721971 249360225 /nfs/dbraw/zinc/36/02/25/249360225.db2.gz SKVCDYZDMLUQBX-KSSFIOAISA-N 2 2 374.485 0.699 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000459929541 249794651 /nfs/dbraw/zinc/79/46/51/249794651.db2.gz ZNWOHZGUCKOHQI-QGZVFWFLSA-N 2 2 366.506 0.111 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000270708017 211252085 /nfs/dbraw/zinc/25/20/85/211252085.db2.gz KLYOMTIZCBHWAC-INIZCTEOSA-N 2 2 364.494 0.067 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000270708017 211252088 /nfs/dbraw/zinc/25/20/88/211252088.db2.gz KLYOMTIZCBHWAC-INIZCTEOSA-N 2 2 364.494 0.067 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000469896171 250012358 /nfs/dbraw/zinc/01/23/58/250012358.db2.gz GBIYXQSPYCTBGR-QGZVFWFLSA-N 2 2 365.522 0.810 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000470020679 250020737 /nfs/dbraw/zinc/02/07/37/250020737.db2.gz KAFZOEAEVPHKNP-INIZCTEOSA-N 2 2 365.499 0.734 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000470020679 250020741 /nfs/dbraw/zinc/02/07/41/250020741.db2.gz KAFZOEAEVPHKNP-INIZCTEOSA-N 2 2 365.499 0.734 20 0 FCADLP NC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000472262519 250143075 /nfs/dbraw/zinc/14/30/75/250143075.db2.gz QVBVKXQRVNQLFI-OAHLLOKOSA-N 2 2 364.515 0.980 20 0 FCADLP NC(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000472262519 250143082 /nfs/dbraw/zinc/14/30/82/250143082.db2.gz QVBVKXQRVNQLFI-OAHLLOKOSA-N 2 2 364.515 0.980 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594684 250163944 /nfs/dbraw/zinc/16/39/44/250163944.db2.gz CSSSSUFKTHDXTB-MAUKXSAKSA-N 2 2 369.506 0.875 20 0 FCADLP COCCC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480911787 250295126 /nfs/dbraw/zinc/29/51/26/250295126.db2.gz UEVHQTKFOKBVSF-INIZCTEOSA-N 2 2 370.519 0.938 20 0 FCADLP C[C@@H](C(=O)N(C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cccn1 ZINC000482031710 250375385 /nfs/dbraw/zinc/37/53/85/250375385.db2.gz NFLGHHKUVOWEFZ-HNNXBMFYSA-N 2 2 364.494 0.045 20 0 FCADLP CCCC(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482016197 250375390 /nfs/dbraw/zinc/37/53/90/250375390.db2.gz KURAHMGIIMEVDI-OAHLLOKOSA-N 2 2 356.536 0.830 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000074110587 208051044 /nfs/dbraw/zinc/05/10/44/208051044.db2.gz QNCVTFRNPQCOLL-RCCFBDPRSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](Cc3c(C)noc3C)CC2)CC1 ZINC000067411254 208022538 /nfs/dbraw/zinc/02/25/38/208022538.db2.gz DCTUVKXULIHQJB-INIZCTEOSA-N 2 2 363.506 0.962 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000068414966 208026661 /nfs/dbraw/zinc/02/66/61/208026661.db2.gz SLGWUUHFKZHOQJ-HKUYNNGSSA-N 2 2 360.502 0.812 20 0 FCADLP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000081554874 208102286 /nfs/dbraw/zinc/10/22/86/208102286.db2.gz AADGHDOAAHNISL-INIZCTEOSA-N 2 2 368.522 0.452 20 0 FCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000081554874 208102292 /nfs/dbraw/zinc/10/22/92/208102292.db2.gz AADGHDOAAHNISL-INIZCTEOSA-N 2 2 368.522 0.452 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000077542805 208073928 /nfs/dbraw/zinc/07/39/28/208073928.db2.gz GGOVGTXZFMLIIQ-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003387 208128789 /nfs/dbraw/zinc/12/87/89/208128789.db2.gz YPGDUZNCRJOCAS-UONOGXRCSA-N 2 2 351.451 0.535 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003387 208128793 /nfs/dbraw/zinc/12/87/93/208128793.db2.gz YPGDUZNCRJOCAS-UONOGXRCSA-N 2 2 351.451 0.535 20 0 FCADLP C[C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000101641862 208166257 /nfs/dbraw/zinc/16/62/57/208166257.db2.gz NBYRVVXYIAAVHG-LJQANCHMSA-N 2 2 373.545 0.556 20 0 FCADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(=O)n(C)c1=O ZINC000092645335 208147910 /nfs/dbraw/zinc/14/79/10/208147910.db2.gz JOOQUWYOBGXNBL-UHFFFAOYSA-N 2 2 371.485 0.618 20 0 FCADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(=O)n(C)c1=O ZINC000092645335 208147916 /nfs/dbraw/zinc/14/79/16/208147916.db2.gz JOOQUWYOBGXNBL-UHFFFAOYSA-N 2 2 371.485 0.618 20 0 FCADLP C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093421219 208156425 /nfs/dbraw/zinc/15/64/25/208156425.db2.gz CKTCRUALWNMTOY-KBPBESRZSA-N 2 2 355.508 0.482 20 0 FCADLP C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093421219 208156431 /nfs/dbraw/zinc/15/64/31/208156431.db2.gz CKTCRUALWNMTOY-KBPBESRZSA-N 2 2 355.508 0.482 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087675 208181300 /nfs/dbraw/zinc/18/13/00/208181300.db2.gz NVOOJWXVSKHONW-UHFFFAOYSA-N 2 2 361.490 0.582 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087675 208181307 /nfs/dbraw/zinc/18/13/07/208181307.db2.gz NVOOJWXVSKHONW-UHFFFAOYSA-N 2 2 361.490 0.582 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105301172 208197939 /nfs/dbraw/zinc/19/79/39/208197939.db2.gz NWPFXXFXYQRRCI-IAGOWNOFSA-N 2 2 368.522 0.849 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000107370308 208243186 /nfs/dbraw/zinc/24/31/86/208243186.db2.gz YLANQCBGLQPBOY-XYJFISCASA-N 2 2 368.522 0.402 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000107370308 208243190 /nfs/dbraw/zinc/24/31/90/208243190.db2.gz YLANQCBGLQPBOY-XYJFISCASA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NC3CCOCC3)CC2)C1 ZINC000106120319 208211444 /nfs/dbraw/zinc/21/14/44/208211444.db2.gz GCCSGTMOOVLXKE-GOSISDBHSA-N 2 2 368.522 0.008 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)NC3CCOCC3)CC2)C1 ZINC000106120319 208211451 /nfs/dbraw/zinc/21/14/51/208211451.db2.gz GCCSGTMOOVLXKE-GOSISDBHSA-N 2 2 368.522 0.008 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000106403260 208224502 /nfs/dbraw/zinc/22/45/02/208224502.db2.gz RHQACUGFDOMQGO-UXHICEINSA-N 2 2 374.529 0.890 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000106529966 208226056 /nfs/dbraw/zinc/22/60/56/208226056.db2.gz IMBCZOQAUOTNIH-QGZVFWFLSA-N 2 2 359.518 0.980 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000106529966 208226062 /nfs/dbraw/zinc/22/60/62/208226062.db2.gz IMBCZOQAUOTNIH-QGZVFWFLSA-N 2 2 359.518 0.980 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000106529966 208226068 /nfs/dbraw/zinc/22/60/68/208226068.db2.gz IMBCZOQAUOTNIH-QGZVFWFLSA-N 2 2 359.518 0.980 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000106529966 208226071 /nfs/dbraw/zinc/22/60/71/208226071.db2.gz IMBCZOQAUOTNIH-QGZVFWFLSA-N 2 2 359.518 0.980 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000106562092 208232018 /nfs/dbraw/zinc/23/20/18/208232018.db2.gz NQJSEYBFHSNTAG-KZNAEPCWSA-N 2 2 367.538 0.517 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000115547486 208326298 /nfs/dbraw/zinc/32/62/98/208326298.db2.gz FUVSGPYQTOPLMS-UHFFFAOYSA-N 2 2 368.503 0.954 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000115547486 208326303 /nfs/dbraw/zinc/32/63/03/208326303.db2.gz FUVSGPYQTOPLMS-UHFFFAOYSA-N 2 2 368.503 0.954 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119809611 208367408 /nfs/dbraw/zinc/36/74/08/208367408.db2.gz LNSIGLMYXMAHLU-MRXNPFEDSA-N 2 2 364.490 0.895 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119809611 208367412 /nfs/dbraw/zinc/36/74/12/208367412.db2.gz LNSIGLMYXMAHLU-MRXNPFEDSA-N 2 2 364.490 0.895 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccccc3)C2)CC1 ZINC000118834924 208351682 /nfs/dbraw/zinc/35/16/82/208351682.db2.gz GPVWXFMHDRCADR-GOSISDBHSA-N 2 2 373.501 0.724 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C2)CC1 ZINC000118834924 208351683 /nfs/dbraw/zinc/35/16/83/208351683.db2.gz GPVWXFMHDRCADR-GOSISDBHSA-N 2 2 373.501 0.724 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000120923258 208395331 /nfs/dbraw/zinc/39/53/31/208395331.db2.gz AMSVOKHLMXPVQH-OAHLLOKOSA-N 2 2 371.441 0.895 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@@H+]1C ZINC000180886200 209103074 /nfs/dbraw/zinc/10/30/74/209103074.db2.gz JTEYLCTUGDIFCW-ZBFHGGJFSA-N 2 2 355.504 0.872 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000180886200 209103078 /nfs/dbraw/zinc/10/30/78/209103078.db2.gz JTEYLCTUGDIFCW-ZBFHGGJFSA-N 2 2 355.504 0.872 20 0 FCADLP COCCO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000189667350 533168679 /nfs/dbraw/zinc/16/86/79/533168679.db2.gz ZFYCYTWXMJKVGM-QGZVFWFLSA-N 2 2 351.447 0.661 20 0 FCADLP COCCO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000189667350 533168688 /nfs/dbraw/zinc/16/86/88/533168688.db2.gz ZFYCYTWXMJKVGM-QGZVFWFLSA-N 2 2 351.447 0.661 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CN1CC[NH+]1CCOCC1 ZINC000180263048 209093487 /nfs/dbraw/zinc/09/34/87/209093487.db2.gz XWFQKRWAPUKART-GOSISDBHSA-N 2 2 369.469 0.895 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(NC(N)=O)CC1 ZINC000175745047 533208847 /nfs/dbraw/zinc/20/88/47/533208847.db2.gz AEWPGCABFWVONN-AWEZNQCLSA-N 2 2 360.462 0.251 20 0 FCADLP CCS(=O)(=O)N(C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176923777 209011291 /nfs/dbraw/zinc/01/12/91/209011291.db2.gz GWRLAQOEDWCBKG-UHFFFAOYSA-N 2 2 374.551 0.334 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178963947 209068711 /nfs/dbraw/zinc/06/87/11/209068711.db2.gz IWPIRDDZBAYKFR-MRXNPFEDSA-N 2 2 359.474 0.111 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(NC(=O)c3ccsc3)CC2)CC1 ZINC000178985184 209069168 /nfs/dbraw/zinc/06/91/68/209069168.db2.gz DHSMWSIIBQEVSU-UHFFFAOYSA-N 2 2 350.488 0.716 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000932237849 674174428 /nfs/dbraw/zinc/17/44/28/674174428.db2.gz IVKCCKRLGKFHGW-KURKYZTESA-N 2 2 351.491 0.953 20 0 FCADLP Cn1cc(N2CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)CC2)cn1 ZINC000179282146 209074910 /nfs/dbraw/zinc/07/49/10/209074910.db2.gz ORERTKXQCGLYDT-UHFFFAOYSA-N 2 2 363.510 0.278 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC000179317302 209075608 /nfs/dbraw/zinc/07/56/08/209075608.db2.gz UQJZMTSGNOZPQS-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000179398480 209077318 /nfs/dbraw/zinc/07/73/18/209077318.db2.gz WHQORVYWEYTHCL-PMACEKPBSA-N 2 2 374.529 0.890 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000177249101 229220551 /nfs/dbraw/zinc/22/05/51/229220551.db2.gz FANQPGQZBOASPC-KRWDZBQOSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000195053668 229271175 /nfs/dbraw/zinc/27/11/75/229271175.db2.gz LQGIRILZXBVKOG-CALCHBBNSA-N 3 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000195053668 229271177 /nfs/dbraw/zinc/27/11/77/229271177.db2.gz LQGIRILZXBVKOG-CALCHBBNSA-N 3 2 369.554 0.763 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410574539 230138808 /nfs/dbraw/zinc/13/88/08/230138808.db2.gz RPGZGPXTGXNSOR-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000410574539 230138811 /nfs/dbraw/zinc/13/88/11/230138811.db2.gz RPGZGPXTGXNSOR-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP CN(CCCN(C)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1)CC[NH+](C)C ZINC000410574539 230138814 /nfs/dbraw/zinc/13/88/14/230138814.db2.gz RPGZGPXTGXNSOR-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410591550 230146642 /nfs/dbraw/zinc/14/66/42/230146642.db2.gz WDSPEMJDHCOXLJ-BRWVUGGUSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000410591550 230146645 /nfs/dbraw/zinc/14/66/45/230146645.db2.gz WDSPEMJDHCOXLJ-BRWVUGGUSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698698 230196213 /nfs/dbraw/zinc/19/62/13/230196213.db2.gz NUQIUNZJDJLVKP-HZPDHXFCSA-N 2 2 374.489 0.139 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698698 230196218 /nfs/dbraw/zinc/19/62/18/230196218.db2.gz NUQIUNZJDJLVKP-HZPDHXFCSA-N 2 2 374.489 0.139 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000485781036 484330861 /nfs/dbraw/zinc/33/08/61/484330861.db2.gz HDMZZENUANOBSO-ZDUSSCGKSA-N 2 2 359.434 0.268 20 0 FCADLP OC[C@H]1CCCN1c1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000301396703 488880292 /nfs/dbraw/zinc/88/02/92/488880292.db2.gz NBXDSIJHNTXMIG-DLBZAZTESA-N 2 2 361.490 0.986 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C[C@@H]21 ZINC000562803368 491189351 /nfs/dbraw/zinc/18/93/51/491189351.db2.gz UKOKVXCTCPKVPI-KYHPRHEASA-N 2 2 368.547 0.963 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)CC1 ZINC000301504264 488880882 /nfs/dbraw/zinc/88/08/82/488880882.db2.gz ICBLGUBIMVVONY-UHFFFAOYSA-N 2 2 359.883 0.349 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995698 488909127 /nfs/dbraw/zinc/90/91/27/488909127.db2.gz CBICPGNRZGKINQ-DNVCBOLYSA-N 2 2 373.457 0.080 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995698 488909130 /nfs/dbraw/zinc/90/91/30/488909130.db2.gz CBICPGNRZGKINQ-DNVCBOLYSA-N 2 2 373.457 0.080 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)C(C)(C)[NH+]3CCOCC3)ccn2)CC1 ZINC000278995801 488909359 /nfs/dbraw/zinc/90/93/59/488909359.db2.gz ZXTSDVUWIFWNOL-UHFFFAOYSA-N 2 2 361.490 0.560 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000287871275 488915602 /nfs/dbraw/zinc/91/56/02/488915602.db2.gz NOUBBXOAUJWCJK-VMUDFCTBSA-N 2 2 360.462 0.618 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000287871275 488915606 /nfs/dbraw/zinc/91/56/06/488915606.db2.gz NOUBBXOAUJWCJK-VMUDFCTBSA-N 2 2 360.462 0.618 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1(C)C ZINC000328242439 488921798 /nfs/dbraw/zinc/92/17/98/488921798.db2.gz AHXIKPSOIWKCOF-FCEWJHQRSA-N 2 2 354.539 0.907 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000562804296 491190385 /nfs/dbraw/zinc/19/03/85/491190385.db2.gz CCFYWIRUGCNGAZ-MRXNPFEDSA-N 2 2 351.495 0.324 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)NC3CCCCC3)C2)CC1 ZINC000364206089 488935217 /nfs/dbraw/zinc/93/52/17/488935217.db2.gz JCWRBKQXUGFADT-INIZCTEOSA-N 2 2 365.522 0.903 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)NC3CCCCC3)C2)CC1 ZINC000364206089 488935220 /nfs/dbraw/zinc/93/52/20/488935220.db2.gz JCWRBKQXUGFADT-INIZCTEOSA-N 2 2 365.522 0.903 20 0 FCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364256275 488940876 /nfs/dbraw/zinc/94/08/76/488940876.db2.gz MIJDQZAKMPZOLN-ZBFHGGJFSA-N 2 2 374.489 0.390 20 0 FCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364256275 488940879 /nfs/dbraw/zinc/94/08/79/488940879.db2.gz MIJDQZAKMPZOLN-ZBFHGGJFSA-N 2 2 374.489 0.390 20 0 FCADLP COCC[N@@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000328905513 488949208 /nfs/dbraw/zinc/94/92/08/488949208.db2.gz AUBPMZNXEFEJBD-UHFFFAOYSA-N 2 2 363.506 0.813 20 0 FCADLP COCC[N@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000328905513 488949211 /nfs/dbraw/zinc/94/92/11/488949211.db2.gz AUBPMZNXEFEJBD-UHFFFAOYSA-N 2 2 363.506 0.813 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288145447 488949292 /nfs/dbraw/zinc/94/92/92/488949292.db2.gz NKJOUHQQMBAOTI-UHFFFAOYSA-N 2 2 370.457 0.832 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@H](O)C1 ZINC000042287021 487860615 /nfs/dbraw/zinc/86/06/15/487860615.db2.gz CQJYFGOULCKQPP-LPHOPBHVSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@H](O)C1 ZINC000042287021 487860620 /nfs/dbraw/zinc/86/06/20/487860620.db2.gz CQJYFGOULCKQPP-LPHOPBHVSA-N 2 2 361.486 0.980 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858004 487924474 /nfs/dbraw/zinc/92/44/74/487924474.db2.gz UFCDXUMKSNJUNJ-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858004 487924480 /nfs/dbraw/zinc/92/44/80/487924480.db2.gz UFCDXUMKSNJUNJ-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000329039905 488962933 /nfs/dbraw/zinc/96/29/33/488962933.db2.gz HWHBAGLOUVAIRS-QGZVFWFLSA-N 2 2 366.506 0.111 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000329039905 488962934 /nfs/dbraw/zinc/96/29/34/488962934.db2.gz HWHBAGLOUVAIRS-QGZVFWFLSA-N 2 2 366.506 0.111 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3nc4ncccn4n3)CC2)CC1 ZINC000050798247 488114280 /nfs/dbraw/zinc/11/42/80/488114280.db2.gz XEUKPMDYBDMIGL-UHFFFAOYSA-N 2 2 357.462 0.342 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCN3C(=O)CCC3=O)CC2)CC1 ZINC000050801132 488115764 /nfs/dbraw/zinc/11/57/64/488115764.db2.gz SETZPBRLZWFKKO-UHFFFAOYSA-N 2 2 350.463 0.200 20 0 FCADLP CC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000050990428 488119479 /nfs/dbraw/zinc/11/94/79/488119479.db2.gz MHGMZQCSIGNTKA-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP CC(=O)NCC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000052849274 488184188 /nfs/dbraw/zinc/18/41/88/488184188.db2.gz MQEXWJLLICPIQF-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)NCCCOC)CC2)CC1 ZINC000056308309 488255887 /nfs/dbraw/zinc/25/58/87/488255887.db2.gz RAWFVZMFECWCGF-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(C[N@H+](CCO)CC1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000064516393 488313542 /nfs/dbraw/zinc/31/35/42/488313542.db2.gz LOTGHGHCFNXSSI-UHFFFAOYSA-N 2 2 361.486 0.839 20 0 FCADLP O=C(C[N@@H+](CCO)CC1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000064516393 488313543 /nfs/dbraw/zinc/31/35/43/488313543.db2.gz LOTGHGHCFNXSSI-UHFFFAOYSA-N 2 2 361.486 0.839 20 0 FCADLP CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000064558167 488313970 /nfs/dbraw/zinc/31/39/70/488313970.db2.gz ACLXCPHQFXDDMX-UHFFFAOYSA-N 2 2 362.474 0.867 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000067978848 488358909 /nfs/dbraw/zinc/35/89/09/488358909.db2.gz KNNBTJAVBCKFHI-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000067978848 488358911 /nfs/dbraw/zinc/35/89/11/488358911.db2.gz KNNBTJAVBCKFHI-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069858582 488374166 /nfs/dbraw/zinc/37/41/66/488374166.db2.gz NXAQMWWGMYNJND-MRXNPFEDSA-N 2 2 367.490 0.442 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069858582 488374167 /nfs/dbraw/zinc/37/41/67/488374167.db2.gz NXAQMWWGMYNJND-MRXNPFEDSA-N 2 2 367.490 0.442 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073225829 488384077 /nfs/dbraw/zinc/38/40/77/488384077.db2.gz SAOCISCWGDDCFO-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000073225829 488384078 /nfs/dbraw/zinc/38/40/78/488384078.db2.gz SAOCISCWGDDCFO-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000073647090 488385414 /nfs/dbraw/zinc/38/54/14/488385414.db2.gz PWHBWLDNGSLPGT-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CC(=O)N1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000073647090 488385415 /nfs/dbraw/zinc/38/54/15/488385415.db2.gz PWHBWLDNGSLPGT-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000073789550 488386227 /nfs/dbraw/zinc/38/62/27/488386227.db2.gz UJUQPDTVICQHQW-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134028 488387604 /nfs/dbraw/zinc/38/76/04/488387604.db2.gz IQENFMOXISUJDR-ROUUACIJSA-N 2 2 368.570 0.195 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134028 488387605 /nfs/dbraw/zinc/38/76/05/488387605.db2.gz IQENFMOXISUJDR-ROUUACIJSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074110350 488387684 /nfs/dbraw/zinc/38/76/84/488387684.db2.gz JJSUMHCDSVQPOU-IXDOHACOSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000182710118 488389342 /nfs/dbraw/zinc/38/93/42/488389342.db2.gz YTTCOGZZTSDOPX-SJORKVTESA-N 2 2 355.527 0.375 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000562831841 491194752 /nfs/dbraw/zinc/19/47/52/491194752.db2.gz SAFGFCDSNPFSAB-UHFFFAOYSA-N 2 2 358.486 0.755 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000185733907 488402462 /nfs/dbraw/zinc/40/24/62/488402462.db2.gz RNGMNVWKJBKQDT-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000185733907 488402463 /nfs/dbraw/zinc/40/24/63/488402463.db2.gz RNGMNVWKJBKQDT-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000076317565 488403486 /nfs/dbraw/zinc/40/34/86/488403486.db2.gz SRMGSGBCKVKSFS-INIZCTEOSA-N 2 2 372.469 0.810 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000076317565 488403487 /nfs/dbraw/zinc/40/34/87/488403487.db2.gz SRMGSGBCKVKSFS-INIZCTEOSA-N 2 2 372.469 0.810 20 0 FCADLP CC(C)(CC(N)=O)[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000186216673 488404845 /nfs/dbraw/zinc/40/48/45/488404845.db2.gz RMZPHQJDQPEVCT-UHFFFAOYSA-N 2 2 374.485 0.509 20 0 FCADLP CC(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000077170070 488409097 /nfs/dbraw/zinc/40/90/97/488409097.db2.gz YJCYYYROYMFKRA-KRWDZBQOSA-N 2 2 359.474 0.721 20 0 FCADLP CC(=O)N[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000077170070 488409098 /nfs/dbraw/zinc/40/90/98/488409098.db2.gz YJCYYYROYMFKRA-KRWDZBQOSA-N 2 2 359.474 0.721 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268454338 488420399 /nfs/dbraw/zinc/42/03/99/488420399.db2.gz WIAHRGDEPSGOJO-UHFFFAOYSA-N 2 2 372.477 0.625 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268454338 488420402 /nfs/dbraw/zinc/42/04/02/488420402.db2.gz WIAHRGDEPSGOJO-UHFFFAOYSA-N 2 2 372.477 0.625 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000192804832 488424513 /nfs/dbraw/zinc/42/45/13/488424513.db2.gz GLZALDUQMOLDOS-UHFFFAOYSA-N 2 2 368.507 0.969 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC1 ZINC000268515809 488426782 /nfs/dbraw/zinc/42/67/82/488426782.db2.gz DPYGNRCDOQCLRB-GJZGRUSLSA-N 2 2 358.446 0.960 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193937510 488429988 /nfs/dbraw/zinc/42/99/88/488429988.db2.gz CBEGXSLOCBHMDO-UHFFFAOYSA-N 2 2 357.414 0.649 20 0 FCADLP CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000195234556 488436837 /nfs/dbraw/zinc/43/68/37/488436837.db2.gz JZUWYHARORRGPZ-INIZCTEOSA-N 2 2 368.522 0.452 20 0 FCADLP CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000195234556 488436839 /nfs/dbraw/zinc/43/68/39/488436839.db2.gz JZUWYHARORRGPZ-INIZCTEOSA-N 2 2 368.522 0.452 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000080660018 488436918 /nfs/dbraw/zinc/43/69/18/488436918.db2.gz JSEIGLPWKYUZFP-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572185 488442989 /nfs/dbraw/zinc/44/29/89/488442989.db2.gz XQYQLGAKTQMFOI-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572185 488442990 /nfs/dbraw/zinc/44/29/90/488442990.db2.gz XQYQLGAKTQMFOI-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572185 488442991 /nfs/dbraw/zinc/44/29/91/488442991.db2.gz XQYQLGAKTQMFOI-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572185 488442993 /nfs/dbraw/zinc/44/29/93/488442993.db2.gz XQYQLGAKTQMFOI-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000081680891 488443820 /nfs/dbraw/zinc/44/38/20/488443820.db2.gz GQULZHNPBOMOEF-QGZVFWFLSA-N 2 2 362.449 0.810 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000081680891 488443822 /nfs/dbraw/zinc/44/38/22/488443822.db2.gz GQULZHNPBOMOEF-QGZVFWFLSA-N 2 2 362.449 0.810 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081680891 488443825 /nfs/dbraw/zinc/44/38/25/488443825.db2.gz GQULZHNPBOMOEF-QGZVFWFLSA-N 2 2 362.449 0.810 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081680891 488443826 /nfs/dbraw/zinc/44/38/26/488443826.db2.gz GQULZHNPBOMOEF-QGZVFWFLSA-N 2 2 362.449 0.810 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000083733709 488448811 /nfs/dbraw/zinc/44/88/11/488448811.db2.gz QLPSNNSPUVDBHZ-WBVHZDCISA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000083733709 488448814 /nfs/dbraw/zinc/44/88/14/488448814.db2.gz QLPSNNSPUVDBHZ-WBVHZDCISA-N 2 2 354.495 0.338 20 0 FCADLP OCC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)COC1 ZINC000084881689 488450908 /nfs/dbraw/zinc/45/09/08/488450908.db2.gz XFAWGBPRIBTCNR-SFHVURJKSA-N 2 2 360.502 0.925 20 0 FCADLP OCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)COC1 ZINC000084881689 488450909 /nfs/dbraw/zinc/45/09/09/488450909.db2.gz XFAWGBPRIBTCNR-SFHVURJKSA-N 2 2 360.502 0.925 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237735203 488456666 /nfs/dbraw/zinc/45/66/66/488456666.db2.gz NKFDIDPNZGFCGP-HNNXBMFYSA-N 2 2 365.441 0.754 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000089428535 488457771 /nfs/dbraw/zinc/45/77/71/488457771.db2.gz LLWZIKSPNOEICC-QGZVFWFLSA-N 2 2 360.506 0.920 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000089428535 488457773 /nfs/dbraw/zinc/45/77/73/488457773.db2.gz LLWZIKSPNOEICC-QGZVFWFLSA-N 2 2 360.506 0.920 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCC[NH2+]Cc1cccnc1 ZINC000238131853 488458898 /nfs/dbraw/zinc/45/88/98/488458898.db2.gz MWAGNAUZVAEMRC-UHFFFAOYSA-N 2 2 368.485 0.895 20 0 FCADLP Cn1c2ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc2[nH+]c1C1CC1 ZINC000089941088 488458943 /nfs/dbraw/zinc/45/89/43/488458943.db2.gz MLRVGLJALKRNPK-CYBMUJFWSA-N 2 2 359.430 0.428 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000268987672 488460708 /nfs/dbraw/zinc/46/07/08/488460708.db2.gz QLSZXSZJUAPHEG-GOSISDBHSA-N 2 2 363.458 0.549 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000268987672 488460711 /nfs/dbraw/zinc/46/07/11/488460711.db2.gz QLSZXSZJUAPHEG-GOSISDBHSA-N 2 2 363.458 0.549 20 0 FCADLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(=O)n(C)c1=O ZINC000269107481 488469803 /nfs/dbraw/zinc/46/98/03/488469803.db2.gz AYJLHLLULRUMTN-UHFFFAOYSA-N 2 2 372.473 0.622 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000246380124 488472149 /nfs/dbraw/zinc/47/21/49/488472149.db2.gz QQDBCEDPBHRCCC-OKZBNKHCSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000246380124 488472150 /nfs/dbraw/zinc/47/21/50/488472150.db2.gz QQDBCEDPBHRCCC-OKZBNKHCSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246484001 488472978 /nfs/dbraw/zinc/47/29/78/488472978.db2.gz QTMPKLLBMDLCMS-IAGOWNOFSA-N 2 2 356.511 0.299 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246484001 488472981 /nfs/dbraw/zinc/47/29/81/488472981.db2.gz QTMPKLLBMDLCMS-IAGOWNOFSA-N 2 2 356.511 0.299 20 0 FCADLP COCCN(CCOC)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269199610 488478190 /nfs/dbraw/zinc/47/81/90/488478190.db2.gz XHHCWALGJRGLGB-SFHVURJKSA-N 2 2 360.458 0.923 20 0 FCADLP CCN(C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000093178476 488478327 /nfs/dbraw/zinc/47/83/27/488478327.db2.gz IECWXVGCDGVQBL-CQSZACIVSA-N 2 2 350.429 0.967 20 0 FCADLP CCN(C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000093178476 488478329 /nfs/dbraw/zinc/47/83/29/488478329.db2.gz IECWXVGCDGVQBL-CQSZACIVSA-N 2 2 350.429 0.967 20 0 FCADLP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000247114869 488481786 /nfs/dbraw/zinc/48/17/86/488481786.db2.gz PJLXVGIJXLYRAP-MRXNPFEDSA-N 2 2 374.551 0.334 20 0 FCADLP CN(CCCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000247114869 488481787 /nfs/dbraw/zinc/48/17/87/488481787.db2.gz PJLXVGIJXLYRAP-MRXNPFEDSA-N 2 2 374.551 0.334 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245918 488483647 /nfs/dbraw/zinc/48/36/47/488483647.db2.gz YJDWMOMTKNULFZ-DLBZAZTESA-N 2 2 360.458 0.796 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245918 488483648 /nfs/dbraw/zinc/48/36/48/488483648.db2.gz YJDWMOMTKNULFZ-DLBZAZTESA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245918 488483650 /nfs/dbraw/zinc/48/36/50/488483650.db2.gz YJDWMOMTKNULFZ-DLBZAZTESA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245918 488483652 /nfs/dbraw/zinc/48/36/52/488483652.db2.gz YJDWMOMTKNULFZ-DLBZAZTESA-N 2 2 360.458 0.796 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247382568 488484771 /nfs/dbraw/zinc/48/47/71/488484771.db2.gz FPOOFDNJSHDJQG-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247382568 488484773 /nfs/dbraw/zinc/48/47/73/488484773.db2.gz FPOOFDNJSHDJQG-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000247339737 488484851 /nfs/dbraw/zinc/48/48/51/488484851.db2.gz XLWJVUKHMATCCX-JKSUJKDBSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000247339737 488484852 /nfs/dbraw/zinc/48/48/52/488484852.db2.gz XLWJVUKHMATCCX-JKSUJKDBSA-N 2 2 372.535 0.039 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000097175025 488492471 /nfs/dbraw/zinc/49/24/71/488492471.db2.gz SILXWAIDIPENKC-QGZVFWFLSA-N 2 2 365.522 0.668 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000097175025 488492473 /nfs/dbraw/zinc/49/24/73/488492473.db2.gz SILXWAIDIPENKC-QGZVFWFLSA-N 2 2 365.522 0.668 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000248166561 488494196 /nfs/dbraw/zinc/49/41/96/488494196.db2.gz TVKILUYBNKKONP-IRXDYDNUSA-N 2 2 352.523 0.630 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000248166561 488494198 /nfs/dbraw/zinc/49/41/98/488494198.db2.gz TVKILUYBNKKONP-IRXDYDNUSA-N 2 2 352.523 0.630 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC000102572833 488498240 /nfs/dbraw/zinc/49/82/40/488498240.db2.gz JAWLLQCSZNOFDL-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)C ZINC000102572833 488498243 /nfs/dbraw/zinc/49/82/43/488498243.db2.gz JAWLLQCSZNOFDL-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103122405 488499627 /nfs/dbraw/zinc/49/96/27/488499627.db2.gz KYCSEPQHNHIYRH-UHFFFAOYSA-N 2 2 355.442 0.643 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000103508571 488502443 /nfs/dbraw/zinc/50/24/43/488502443.db2.gz GNUBGUFGHHUEPM-QZTJIDSGSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@@H](CO)O1 ZINC000249286957 488508502 /nfs/dbraw/zinc/50/85/02/488508502.db2.gz LTNTUVRQFVHHJL-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@@H](CO)O1 ZINC000249286957 488508503 /nfs/dbraw/zinc/50/85/03/488508503.db2.gz LTNTUVRQFVHHJL-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@@H](CO)O1 ZINC000249286957 488508504 /nfs/dbraw/zinc/50/85/04/488508504.db2.gz LTNTUVRQFVHHJL-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)cc2)C[C@@H](CO)O1 ZINC000249286957 488508505 /nfs/dbraw/zinc/50/85/05/488508505.db2.gz LTNTUVRQFVHHJL-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP CCOCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041213 488511289 /nfs/dbraw/zinc/51/12/89/488511289.db2.gz JKEUHGMRLVYZDM-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249599481 488513198 /nfs/dbraw/zinc/51/31/98/488513198.db2.gz XTXPXKMVTNKRAY-KXBFYZLASA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249599481 488513199 /nfs/dbraw/zinc/51/31/99/488513199.db2.gz XTXPXKMVTNKRAY-KXBFYZLASA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249599481 488513201 /nfs/dbraw/zinc/51/32/01/488513201.db2.gz XTXPXKMVTNKRAY-KXBFYZLASA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249599481 488513203 /nfs/dbraw/zinc/51/32/03/488513203.db2.gz XTXPXKMVTNKRAY-KXBFYZLASA-N 2 2 362.474 0.789 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@H+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000106386833 488513316 /nfs/dbraw/zinc/51/33/16/488513316.db2.gz DLDQQEGPEAMGBO-ZHALLVOQSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000106386833 488513319 /nfs/dbraw/zinc/51/33/19/488513319.db2.gz DLDQQEGPEAMGBO-ZHALLVOQSA-N 2 2 365.522 0.398 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369628 488517520 /nfs/dbraw/zinc/51/75/20/488517520.db2.gz NZSSSVIETZWVBP-KRWDZBQOSA-N 2 2 367.538 0.071 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCS(=O)(=O)N(C)C)c2cc1C ZINC000563010293 491207869 /nfs/dbraw/zinc/20/78/69/491207869.db2.gz DSUQKOKCEOLBFA-CQSZACIVSA-N 2 2 354.476 0.495 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000253550784 488521437 /nfs/dbraw/zinc/52/14/37/488521437.db2.gz XWIZNJKLHSMMPV-NJAFHUGGSA-N 2 2 353.507 0.959 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)NCC[NH+]1CCOCC1 ZINC000110028280 488525014 /nfs/dbraw/zinc/52/50/14/488525014.db2.gz IHDUHXUSUQMXAG-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)NCC[NH+]1CCOCC1 ZINC000110028280 488525017 /nfs/dbraw/zinc/52/50/17/488525017.db2.gz IHDUHXUSUQMXAG-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261615195 488527633 /nfs/dbraw/zinc/52/76/33/488527633.db2.gz CRDGTMRTRIWRNR-SUMWQHHRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261615195 488527636 /nfs/dbraw/zinc/52/76/36/488527636.db2.gz CRDGTMRTRIWRNR-SUMWQHHRSA-N 2 2 368.503 0.935 20 0 FCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261625154 488528133 /nfs/dbraw/zinc/52/81/33/488528133.db2.gz AGYLKGNUUOAYGZ-ZWKOTPCHSA-N 2 2 369.469 0.794 20 0 FCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261625154 488528136 /nfs/dbraw/zinc/52/81/36/488528136.db2.gz AGYLKGNUUOAYGZ-ZWKOTPCHSA-N 2 2 369.469 0.794 20 0 FCADLP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000111661707 488531036 /nfs/dbraw/zinc/53/10/36/488531036.db2.gz MIHAJRDULVTULR-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000112466597 488534708 /nfs/dbraw/zinc/53/47/08/488534708.db2.gz GTLXRVJNEZYZJF-UHFFFAOYSA-N 2 2 353.511 0.668 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000112466597 488534710 /nfs/dbraw/zinc/53/47/10/488534710.db2.gz GTLXRVJNEZYZJF-UHFFFAOYSA-N 2 2 353.511 0.668 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261754061 488534716 /nfs/dbraw/zinc/53/47/16/488534716.db2.gz LJJXDHHWIIMPPZ-KRWDZBQOSA-N 2 2 352.504 0.884 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261754061 488534718 /nfs/dbraw/zinc/53/47/18/488534718.db2.gz LJJXDHHWIIMPPZ-KRWDZBQOSA-N 2 2 352.504 0.884 20 0 FCADLP C[C@]([NH3+])(C(=O)N1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000261876989 488539455 /nfs/dbraw/zinc/53/94/55/488539455.db2.gz SWYMVKQSRRPDPV-OAHLLOKOSA-N 2 2 356.264 0.760 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)CC(C)(C)O ZINC000114728263 488541805 /nfs/dbraw/zinc/54/18/05/488541805.db2.gz WIZNFGAPVNNMET-UHFFFAOYSA-N 2 2 361.486 0.968 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)CC(C)(C)O ZINC000114728263 488541807 /nfs/dbraw/zinc/54/18/07/488541807.db2.gz WIZNFGAPVNNMET-UHFFFAOYSA-N 2 2 361.486 0.968 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000271730087 488542628 /nfs/dbraw/zinc/54/26/28/488542628.db2.gz TYNDCBHLYMPBBR-ZDUSSCGKSA-N 2 2 366.466 0.265 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000271730087 488542630 /nfs/dbraw/zinc/54/26/30/488542630.db2.gz TYNDCBHLYMPBBR-ZDUSSCGKSA-N 2 2 366.466 0.265 20 0 FCADLP COCCN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000261940784 488543194 /nfs/dbraw/zinc/54/31/94/488543194.db2.gz MRLAJLGFRQMUJD-KRWDZBQOSA-N 2 2 361.490 0.560 20 0 FCADLP COCCN(C)c1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000261940784 488543195 /nfs/dbraw/zinc/54/31/95/488543195.db2.gz MRLAJLGFRQMUJD-KRWDZBQOSA-N 2 2 361.490 0.560 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271780008 488546160 /nfs/dbraw/zinc/54/61/60/488546160.db2.gz LLAOZVPVZBDHCW-CQSZACIVSA-N 2 2 350.467 0.504 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271780008 488546162 /nfs/dbraw/zinc/54/61/62/488546162.db2.gz LLAOZVPVZBDHCW-CQSZACIVSA-N 2 2 350.467 0.504 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000116399995 488547558 /nfs/dbraw/zinc/54/75/58/488547558.db2.gz YASKXFJIWCQUBC-ZGXWSNOMSA-N 2 2 368.566 0.558 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000116399995 488547559 /nfs/dbraw/zinc/54/75/59/488547559.db2.gz YASKXFJIWCQUBC-ZGXWSNOMSA-N 2 2 368.566 0.558 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000272000822 488558031 /nfs/dbraw/zinc/55/80/31/488558031.db2.gz VOWHTXCHIKKCDE-CYBMUJFWSA-N 2 2 351.403 0.089 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262271941 488560639 /nfs/dbraw/zinc/56/06/39/488560639.db2.gz WPKKJBXVOFQWRB-BMFZPTHFSA-N 2 2 369.473 0.933 20 0 FCADLP CS(=O)(=O)C1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262330405 488564314 /nfs/dbraw/zinc/56/43/14/488564314.db2.gz GPLNBEVXVUVIRC-INIZCTEOSA-N 2 2 365.499 0.544 20 0 FCADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)nc1 ZINC000121333180 488566803 /nfs/dbraw/zinc/56/68/03/488566803.db2.gz IBNFMSUVMHSOQW-MRXNPFEDSA-N 2 2 359.474 0.815 20 0 FCADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)nc1 ZINC000121333180 488566805 /nfs/dbraw/zinc/56/68/05/488566805.db2.gz IBNFMSUVMHSOQW-MRXNPFEDSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000121824437 488571706 /nfs/dbraw/zinc/57/17/06/488571706.db2.gz MJXYOEMWOSYEDP-SFHVURJKSA-N 2 2 351.539 0.996 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[NH+](CC3CC3)CC1)CCC2 ZINC000569960282 491206730 /nfs/dbraw/zinc/20/67/30/491206730.db2.gz RSGNNXAUSUIDGK-INIZCTEOSA-N 2 2 359.474 0.739 20 0 FCADLP C[C@H](NC(=O)c1ccoc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122918962 488581539 /nfs/dbraw/zinc/58/15/39/488581539.db2.gz XTASDTLUYUUUHS-AWEZNQCLSA-N 2 2 350.463 0.882 20 0 FCADLP C[C@H](NC(=O)c1ccoc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122918962 488581540 /nfs/dbraw/zinc/58/15/40/488581540.db2.gz XTASDTLUYUUUHS-AWEZNQCLSA-N 2 2 350.463 0.882 20 0 FCADLP Cn1ccc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000123519019 488585894 /nfs/dbraw/zinc/58/58/94/488585894.db2.gz GTEQGGQTDARKOR-UHFFFAOYSA-N 2 2 363.487 0.662 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000554573294 491210648 /nfs/dbraw/zinc/21/06/48/491210648.db2.gz WWCNDDNNYMQIJW-SJORKVTESA-N 2 2 355.527 0.111 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000554573294 491210651 /nfs/dbraw/zinc/21/06/51/491210651.db2.gz WWCNDDNNYMQIJW-SJORKVTESA-N 2 2 355.527 0.111 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124303401 488591163 /nfs/dbraw/zinc/59/11/63/488591163.db2.gz HOBDFLJMGNIKCJ-CYBMUJFWSA-N 2 2 365.459 0.880 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124303401 488591164 /nfs/dbraw/zinc/59/11/64/488591164.db2.gz HOBDFLJMGNIKCJ-CYBMUJFWSA-N 2 2 365.459 0.880 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262779857 488592852 /nfs/dbraw/zinc/59/28/52/488592852.db2.gz NDKKTYXXOCGYDO-INIZCTEOSA-N 2 2 370.457 0.969 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000262788315 488593055 /nfs/dbraw/zinc/59/30/55/488593055.db2.gz NIMWMYKYCKYRBH-CQSZACIVSA-N 2 2 366.437 0.064 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000262874085 488597356 /nfs/dbraw/zinc/59/73/56/488597356.db2.gz MPDKFKVLLYIXDA-MRXNPFEDSA-N 2 2 351.447 0.378 20 0 FCADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125244688 488599546 /nfs/dbraw/zinc/59/95/46/488599546.db2.gz OGASBQNQQCDNGL-HNNXBMFYSA-N 2 2 354.401 0.635 20 0 FCADLP C[C@H]([NH3+])CCC(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262925959 488599566 /nfs/dbraw/zinc/59/95/66/488599566.db2.gz ZULHIVXKPHANHX-AWEZNQCLSA-N 2 2 368.503 0.366 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000126033430 488606501 /nfs/dbraw/zinc/60/65/01/488606501.db2.gz DNZUOMUWBKMLIW-RHSMWYFYSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000126033430 488606504 /nfs/dbraw/zinc/60/65/04/488606504.db2.gz DNZUOMUWBKMLIW-RHSMWYFYSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068448 491213930 /nfs/dbraw/zinc/21/39/30/491213930.db2.gz XNAXHZDTXGIKOO-OEAJRASXSA-N 2 2 352.458 0.772 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068448 491213931 /nfs/dbraw/zinc/21/39/31/491213931.db2.gz XNAXHZDTXGIKOO-OEAJRASXSA-N 2 2 352.458 0.772 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000263646606 488615460 /nfs/dbraw/zinc/61/54/60/488615460.db2.gz DSJKFWKQBKPPED-GOSISDBHSA-N 2 2 360.502 0.846 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000263679388 488618335 /nfs/dbraw/zinc/61/83/35/488618335.db2.gz ODVNYSFRZJZXHL-INIZCTEOSA-N 2 2 370.457 0.940 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000263679388 488618336 /nfs/dbraw/zinc/61/83/36/488618336.db2.gz ODVNYSFRZJZXHL-INIZCTEOSA-N 2 2 370.457 0.940 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000263719864 488621498 /nfs/dbraw/zinc/62/14/98/488621498.db2.gz FKOIWQZIUNHCNB-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000263719864 488621499 /nfs/dbraw/zinc/62/14/99/488621499.db2.gz FKOIWQZIUNHCNB-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000128995943 488627778 /nfs/dbraw/zinc/62/77/78/488627778.db2.gz HTZBTFCKEBYDAM-UHFFFAOYSA-N 2 2 362.474 0.786 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000273101205 488631597 /nfs/dbraw/zinc/63/15/97/488631597.db2.gz PPSBZAGCWRKVOA-MRXNPFEDSA-N 2 2 361.490 0.418 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1CCSCC1 ZINC000131271930 488644751 /nfs/dbraw/zinc/64/47/51/488644751.db2.gz SPVIVUYUFSAJIF-OAHLLOKOSA-N 2 2 364.519 0.152 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131432011 488646303 /nfs/dbraw/zinc/64/63/03/488646303.db2.gz JDCSKMNCVJNBPI-PBHICJAKSA-N 2 2 350.488 0.770 20 0 FCADLP O=C(CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000132085251 488650467 /nfs/dbraw/zinc/65/04/67/488650467.db2.gz CSGCDTOAJLCHLV-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP O=C(CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000132085251 488650469 /nfs/dbraw/zinc/65/04/69/488650469.db2.gz CSGCDTOAJLCHLV-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP CC[C@@](C)([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(N)=O ZINC000133107929 488657936 /nfs/dbraw/zinc/65/79/36/488657936.db2.gz UVMMRPIOUZQJOV-QGZVFWFLSA-N 2 2 354.495 0.381 20 0 FCADLP CS(=O)(=O)N1CC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000133259295 488659015 /nfs/dbraw/zinc/65/90/15/488659015.db2.gz ULCCKMUKZFJNDG-GFCCVEGCSA-N 2 2 373.442 0.904 20 0 FCADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)NCc1ccco1 ZINC000134309342 488666083 /nfs/dbraw/zinc/66/60/83/488666083.db2.gz FROZWKSXGBWICB-CQSZACIVSA-N 2 2 358.446 0.616 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264479619 488677512 /nfs/dbraw/zinc/67/75/12/488677512.db2.gz ZUKYYZFCXZWEJI-AZUAARDMSA-N 2 2 373.545 0.727 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000137754593 488681214 /nfs/dbraw/zinc/68/12/14/488681214.db2.gz JRMXZADGJCUKDN-SJORKVTESA-N 2 2 354.495 0.600 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000137754593 488681216 /nfs/dbraw/zinc/68/12/16/488681216.db2.gz JRMXZADGJCUKDN-SJORKVTESA-N 2 2 354.495 0.600 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)c1ccsc1 ZINC000274247996 488693882 /nfs/dbraw/zinc/69/38/82/488693882.db2.gz XTPPRRVODKSGAC-OAHLLOKOSA-N 2 2 361.533 0.993 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264710538 488701655 /nfs/dbraw/zinc/70/16/55/488701655.db2.gz KVAUOCYIXPSSDE-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264710538 488701656 /nfs/dbraw/zinc/70/16/56/488701656.db2.gz KVAUOCYIXPSSDE-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP COc1cccc([C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)c1 ZINC000264713893 488702229 /nfs/dbraw/zinc/70/22/29/488702229.db2.gz DZDJYBJGPWQBOZ-AEFFLSMTSA-N 2 2 363.506 0.843 20 0 FCADLP COc1cccc([C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)[NH+](C)C)c1 ZINC000264713893 488702231 /nfs/dbraw/zinc/70/22/31/488702231.db2.gz DZDJYBJGPWQBOZ-AEFFLSMTSA-N 2 2 363.506 0.843 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000570118701 491218001 /nfs/dbraw/zinc/21/80/01/491218001.db2.gz CZLZGPHVGGYAHB-JKSUJKDBSA-N 2 2 356.511 0.848 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000264733514 488704778 /nfs/dbraw/zinc/70/47/78/488704778.db2.gz JELLFAKQCNHSRA-HNNXBMFYSA-N 2 2 363.462 0.092 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000264739843 488705206 /nfs/dbraw/zinc/70/52/06/488705206.db2.gz OUOYGIMKLBDPTP-OAHLLOKOSA-N 2 2 351.520 0.651 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000264739843 488705208 /nfs/dbraw/zinc/70/52/08/488705208.db2.gz OUOYGIMKLBDPTP-OAHLLOKOSA-N 2 2 351.520 0.651 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000264739843 488705209 /nfs/dbraw/zinc/70/52/09/488705209.db2.gz OUOYGIMKLBDPTP-OAHLLOKOSA-N 2 2 351.520 0.651 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)NCC[NH+]1CCOCC1 ZINC000264744913 488706367 /nfs/dbraw/zinc/70/63/67/488706367.db2.gz LGEAJROZCYBFJF-DOTOQJQBSA-N 2 2 365.478 0.253 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000151762776 488709716 /nfs/dbraw/zinc/70/97/16/488709716.db2.gz QWLZBKUCEASGTC-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000151762776 488709717 /nfs/dbraw/zinc/70/97/17/488709717.db2.gz QWLZBKUCEASGTC-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776399 488710351 /nfs/dbraw/zinc/71/03/51/488710351.db2.gz UGTGIVMMPALUNQ-SJORKVTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264776399 488710344 /nfs/dbraw/zinc/71/03/44/488710344.db2.gz UGTGIVMMPALUNQ-SJORKVTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264776399 488710347 /nfs/dbraw/zinc/71/03/47/488710347.db2.gz UGTGIVMMPALUNQ-SJORKVTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776399 488710348 /nfs/dbraw/zinc/71/03/48/488710348.db2.gz UGTGIVMMPALUNQ-SJORKVTESA-N 2 2 351.470 0.973 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000274524911 488716776 /nfs/dbraw/zinc/71/67/76/488716776.db2.gz ZMLUCBQVSWCVAE-OAHLLOKOSA-N 2 2 365.478 0.629 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000274524911 488716777 /nfs/dbraw/zinc/71/67/77/488716777.db2.gz ZMLUCBQVSWCVAE-OAHLLOKOSA-N 2 2 365.478 0.629 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(C(=O)[C@@H](C)O)CC3)c2cc1C ZINC000153180125 488728163 /nfs/dbraw/zinc/72/81/63/488728163.db2.gz MTPRELBUWGRVOQ-HZPDHXFCSA-N 2 2 360.458 0.539 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000266808509 488732477 /nfs/dbraw/zinc/73/24/77/488732477.db2.gz FKRDOPYFWRJROH-UHFFFAOYSA-N 2 2 360.502 0.838 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000570087603 491215643 /nfs/dbraw/zinc/21/56/43/491215643.db2.gz RXVVSAVSUSAKAG-NUJGCVRESA-N 2 2 368.522 0.258 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153755557 488734569 /nfs/dbraw/zinc/73/45/69/488734569.db2.gz ZTFJEDVYXRUOFE-OAHLLOKOSA-N 2 2 356.536 0.436 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153755557 488734571 /nfs/dbraw/zinc/73/45/71/488734571.db2.gz ZTFJEDVYXRUOFE-OAHLLOKOSA-N 2 2 356.536 0.436 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000554741523 491222420 /nfs/dbraw/zinc/22/24/20/491222420.db2.gz OOKBVNAJWQEMNJ-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000554741523 491222421 /nfs/dbraw/zinc/22/24/21/491222421.db2.gz OOKBVNAJWQEMNJ-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cn2)CC1 ZINC000155062283 488750331 /nfs/dbraw/zinc/75/03/31/488750331.db2.gz GCCDCZMONBHTQC-IRXDYDNUSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cn2)CC1 ZINC000155062283 488750333 /nfs/dbraw/zinc/75/03/33/488750333.db2.gz GCCDCZMONBHTQC-IRXDYDNUSA-N 2 2 374.489 0.058 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000155053663 488750707 /nfs/dbraw/zinc/75/07/07/488750707.db2.gz HHWNWGBTPDFEMM-LSDHHAIUSA-N 2 2 373.461 0.689 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000267042905 488756123 /nfs/dbraw/zinc/75/61/23/488756123.db2.gz FIYNKWQPSQJEBS-QGZVFWFLSA-N 2 2 360.462 0.693 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000155873916 488760197 /nfs/dbraw/zinc/76/01/97/488760197.db2.gz PCDDGTWHZXEDPE-CABCVRRESA-N 2 2 366.487 0.638 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000155873916 488760200 /nfs/dbraw/zinc/76/02/00/488760200.db2.gz PCDDGTWHZXEDPE-CABCVRRESA-N 2 2 366.487 0.638 20 0 FCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000157000451 488768591 /nfs/dbraw/zinc/76/85/91/488768591.db2.gz HJPIFDCRSUAZPJ-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000157000451 488768592 /nfs/dbraw/zinc/76/85/92/488768592.db2.gz HJPIFDCRSUAZPJ-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000451 488768594 /nfs/dbraw/zinc/76/85/94/488768594.db2.gz HJPIFDCRSUAZPJ-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000451 488768596 /nfs/dbraw/zinc/76/85/96/488768596.db2.gz HJPIFDCRSUAZPJ-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP COc1cccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000275183588 488769784 /nfs/dbraw/zinc/76/97/84/488769784.db2.gz BGPRELOQDKVOFH-UHFFFAOYSA-N 2 2 374.485 0.617 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC1(C[NH+]2CCC[C@H]2C(=O)N(C)C)COC1 ZINC000157501157 488771816 /nfs/dbraw/zinc/77/18/16/488771816.db2.gz FYYLIGRFOYMSOD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CC1(C[NH+]2CCC[C@H]2C(=O)N(C)C)COC1 ZINC000157501157 488771818 /nfs/dbraw/zinc/77/18/18/488771818.db2.gz FYYLIGRFOYMSOD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)COC1 ZINC000157501157 488771820 /nfs/dbraw/zinc/77/18/20/488771820.db2.gz FYYLIGRFOYMSOD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2C(=O)N(C)C)COC1 ZINC000157501157 488771822 /nfs/dbraw/zinc/77/18/22/488771822.db2.gz FYYLIGRFOYMSOD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)c1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000267267674 488773541 /nfs/dbraw/zinc/77/35/41/488773541.db2.gz DURLRAOREXTBIF-UHFFFAOYSA-N 2 2 352.435 0.891 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCNC(=O)c2ccco2)CC1 ZINC000267330934 488778218 /nfs/dbraw/zinc/77/82/18/488778218.db2.gz OUINBLNVJSHROK-UHFFFAOYSA-N 2 2 351.451 0.335 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000158476666 488778325 /nfs/dbraw/zinc/77/83/25/488778325.db2.gz TVKILUYBNKKONP-SJORKVTESA-N 2 2 352.523 0.630 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000158476666 488778328 /nfs/dbraw/zinc/77/83/28/488778328.db2.gz TVKILUYBNKKONP-SJORKVTESA-N 2 2 352.523 0.630 20 0 FCADLP CN1CCO[C@H]2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@H]21 ZINC000158870170 488781054 /nfs/dbraw/zinc/78/10/54/488781054.db2.gz JTOAREQMZKEOFC-MSOLQXFVSA-N 2 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)CC2)CC1 ZINC000158870170 488781056 /nfs/dbraw/zinc/78/10/56/488781056.db2.gz JTOAREQMZKEOFC-MSOLQXFVSA-N 3 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)CC2)CC1 ZINC000158870170 488781059 /nfs/dbraw/zinc/78/10/59/488781059.db2.gz JTOAREQMZKEOFC-MSOLQXFVSA-N 3 2 365.522 0.269 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000563150979 491222148 /nfs/dbraw/zinc/22/21/48/491222148.db2.gz JZZCIXYBXCLKQR-INIZCTEOSA-N 2 2 374.441 0.308 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000563150979 491222150 /nfs/dbraw/zinc/22/21/50/491222150.db2.gz JZZCIXYBXCLKQR-INIZCTEOSA-N 2 2 374.441 0.308 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccco1 ZINC000267529268 488794278 /nfs/dbraw/zinc/79/42/78/488794278.db2.gz UWXCUUWJHOAOSG-ZDUSSCGKSA-N 2 2 351.451 0.473 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000267558985 488797753 /nfs/dbraw/zinc/79/77/53/488797753.db2.gz AAWHYUQXSWZCCO-HNNXBMFYSA-N 2 2 351.451 0.218 20 0 FCADLP CCC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000161798531 488799082 /nfs/dbraw/zinc/79/90/82/488799082.db2.gz KSGJDOXTJSIBCZ-ROUUACIJSA-N 2 2 369.554 0.765 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000162383847 488802054 /nfs/dbraw/zinc/80/20/54/488802054.db2.gz LXHGMKUWTHWKLC-NSHDSACASA-N 2 2 358.364 0.537 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000162383847 488802055 /nfs/dbraw/zinc/80/20/55/488802055.db2.gz LXHGMKUWTHWKLC-NSHDSACASA-N 2 2 358.364 0.537 20 0 FCADLP C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000570127511 491218918 /nfs/dbraw/zinc/21/89/18/491218918.db2.gz QHUGWLVDAJZRRJ-INIZCTEOSA-N 2 2 361.490 0.895 20 0 FCADLP COc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c(C)c12 ZINC000162418459 488802656 /nfs/dbraw/zinc/80/26/56/488802656.db2.gz KJKUFCRDVRFZNL-CQSZACIVSA-N 2 2 374.489 0.628 20 0 FCADLP COc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c(C)c12 ZINC000162418459 488802658 /nfs/dbraw/zinc/80/26/58/488802658.db2.gz KJKUFCRDVRFZNL-CQSZACIVSA-N 2 2 374.489 0.628 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000162806449 488805239 /nfs/dbraw/zinc/80/52/39/488805239.db2.gz YMZIEUHBOXLKNR-RDJZCZTQSA-N 2 2 367.515 0.864 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000162806449 488805241 /nfs/dbraw/zinc/80/52/41/488805241.db2.gz YMZIEUHBOXLKNR-RDJZCZTQSA-N 2 2 367.515 0.864 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCOC1 ZINC000162813043 488805351 /nfs/dbraw/zinc/80/53/51/488805351.db2.gz JSMAGYWLEYBWDF-ZIAGYGMSSA-N 2 2 373.461 0.027 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000163355405 488807268 /nfs/dbraw/zinc/80/72/68/488807268.db2.gz YOGJOZXOHGLCRZ-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000163355405 488807270 /nfs/dbraw/zinc/80/72/70/488807270.db2.gz YOGJOZXOHGLCRZ-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000163355405 488807271 /nfs/dbraw/zinc/80/72/71/488807271.db2.gz YOGJOZXOHGLCRZ-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000163355405 488807273 /nfs/dbraw/zinc/80/72/73/488807273.db2.gz YOGJOZXOHGLCRZ-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000563152504 491222747 /nfs/dbraw/zinc/22/27/47/491222747.db2.gz BFHARILSHJRLOQ-GVRJEKJASA-N 2 2 357.520 0.470 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000563152504 491222750 /nfs/dbraw/zinc/22/27/50/491222750.db2.gz BFHARILSHJRLOQ-GVRJEKJASA-N 2 2 357.520 0.470 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2)CC1 ZINC000166134748 488811393 /nfs/dbraw/zinc/81/13/93/488811393.db2.gz DIKJYHZVSVGOOP-INIZCTEOSA-N 2 2 370.450 0.263 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267679446 488811542 /nfs/dbraw/zinc/81/15/42/488811542.db2.gz MPFLFBMQXQCASO-GOSISDBHSA-N 2 2 358.442 0.697 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000170400383 488813868 /nfs/dbraw/zinc/81/38/68/488813868.db2.gz LEOFSPYLBRCHAQ-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]1 ZINC000570190027 491223091 /nfs/dbraw/zinc/22/30/91/491223091.db2.gz ZFRNQKCSCWSILJ-UKRRQHHQSA-N 2 2 350.488 0.649 20 0 FCADLP COCC[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2cscn2)CC1 ZINC000171327316 488822216 /nfs/dbraw/zinc/82/22/16/488822216.db2.gz JQKSDYXCVLDGSX-UHFFFAOYSA-N 2 2 355.508 0.939 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2cscn2)CC1 ZINC000171327316 488822218 /nfs/dbraw/zinc/82/22/18/488822218.db2.gz JQKSDYXCVLDGSX-UHFFFAOYSA-N 2 2 355.508 0.939 20 0 FCADLP COCC[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171327316 488822219 /nfs/dbraw/zinc/82/22/19/488822219.db2.gz JQKSDYXCVLDGSX-UHFFFAOYSA-N 2 2 355.508 0.939 20 0 FCADLP COCC[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171327316 488822221 /nfs/dbraw/zinc/82/22/21/488822221.db2.gz JQKSDYXCVLDGSX-UHFFFAOYSA-N 2 2 355.508 0.939 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000172303176 488832087 /nfs/dbraw/zinc/83/20/87/488832087.db2.gz OBBKZGKPYYONMD-MRXNPFEDSA-N 2 2 367.515 0.866 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000172303176 488832089 /nfs/dbraw/zinc/83/20/89/488832089.db2.gz OBBKZGKPYYONMD-MRXNPFEDSA-N 2 2 367.515 0.866 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CN1CC[NH+]1CCOCC1 ZINC000172697617 488836675 /nfs/dbraw/zinc/83/66/75/488836675.db2.gz RNTHIBCBCIILMH-GOSISDBHSA-N 2 2 369.469 0.895 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]1 ZINC000570190028 491223801 /nfs/dbraw/zinc/22/38/01/491223801.db2.gz ZFRNQKCSCWSILJ-ZFWWWQNUSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000173291277 488842081 /nfs/dbraw/zinc/84/20/81/488842081.db2.gz SUFGYBSGCNAJDA-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000173291277 488842082 /nfs/dbraw/zinc/84/20/82/488842082.db2.gz SUFGYBSGCNAJDA-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000570207073 491224238 /nfs/dbraw/zinc/22/42/38/491224238.db2.gz FOEGTELWVVJXQQ-HOTGVXAUSA-N 2 2 374.485 0.711 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000174260784 488848091 /nfs/dbraw/zinc/84/80/91/488848091.db2.gz VILQZEXGZICRLG-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000174260784 488848092 /nfs/dbraw/zinc/84/80/92/488848092.db2.gz VILQZEXGZICRLG-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP CC[NH+](CC)C[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174218691 488848129 /nfs/dbraw/zinc/84/81/29/488848129.db2.gz OTCGPGYHGOPXBO-KRWDZBQOSA-N 2 2 354.539 0.877 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612961 488850277 /nfs/dbraw/zinc/85/02/77/488850277.db2.gz AEPBBCTUTRMOPI-QGZVFWFLSA-N 2 2 350.438 0.395 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612961 488850278 /nfs/dbraw/zinc/85/02/78/488850278.db2.gz AEPBBCTUTRMOPI-QGZVFWFLSA-N 2 2 350.438 0.395 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000174785361 488851121 /nfs/dbraw/zinc/85/11/21/488851121.db2.gz RMSYBLRTPDHULK-IAGOWNOFSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000175179770 488853304 /nfs/dbraw/zinc/85/33/04/488853304.db2.gz UGEQRVVIODPWAO-DLBZAZTESA-N 2 2 355.527 0.137 20 0 FCADLP C[C@H](CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000175179770 488853305 /nfs/dbraw/zinc/85/33/05/488853305.db2.gz UGEQRVVIODPWAO-DLBZAZTESA-N 2 2 355.527 0.137 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175261197 488853599 /nfs/dbraw/zinc/85/35/99/488853599.db2.gz ALMWVJHOZSSYOS-HZPDHXFCSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175261197 488853600 /nfs/dbraw/zinc/85/36/00/488853600.db2.gz ALMWVJHOZSSYOS-HZPDHXFCSA-N 2 2 359.474 0.706 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175243792 488853664 /nfs/dbraw/zinc/85/36/64/488853664.db2.gz OOKALQSILDPZTE-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175243792 488853665 /nfs/dbraw/zinc/85/36/65/488853665.db2.gz OOKALQSILDPZTE-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000175425297 488854026 /nfs/dbraw/zinc/85/40/26/488854026.db2.gz YRTVKRRNYYDLQC-UHFFFAOYSA-N 3 2 351.499 0.592 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000175693321 488854938 /nfs/dbraw/zinc/85/49/38/488854938.db2.gz MSYSWLZIRJVAGT-MSOLQXFVSA-N 2 2 368.522 0.707 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000175760881 488855507 /nfs/dbraw/zinc/85/55/07/488855507.db2.gz UXKPFHCVQWKBMW-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000175760881 488855508 /nfs/dbraw/zinc/85/55/08/488855508.db2.gz UXKPFHCVQWKBMW-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175888849 488856301 /nfs/dbraw/zinc/85/63/01/488856301.db2.gz QBEDOOUARVXNMA-GOSISDBHSA-N 2 2 371.485 0.608 20 0 FCADLP O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175888849 488856302 /nfs/dbraw/zinc/85/63/02/488856302.db2.gz QBEDOOUARVXNMA-GOSISDBHSA-N 2 2 371.485 0.608 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000176211867 488857588 /nfs/dbraw/zinc/85/75/88/488857588.db2.gz CMEWLDWMIZAINO-MRXNPFEDSA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@]3(O)CCSC3)CC2)CC1 ZINC000176289479 488858269 /nfs/dbraw/zinc/85/82/69/488858269.db2.gz ZTUBCSXBMQVEPL-KRWDZBQOSA-N 2 2 356.536 0.712 20 0 FCADLP CN(C)C(=O)N1CCC(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000177115830 488859175 /nfs/dbraw/zinc/85/91/75/488859175.db2.gz OUGYTAHYKUQLLZ-UHFFFAOYSA-N 2 2 353.511 0.522 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000179128295 488860826 /nfs/dbraw/zinc/86/08/26/488860826.db2.gz FXHHZLROHSABIY-KRWDZBQOSA-N 3 2 353.555 0.497 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCNC(=O)C2CCC2)CC1 ZINC000179316429 488860955 /nfs/dbraw/zinc/86/09/55/488860955.db2.gz GKBQYOIYRCQRKM-UHFFFAOYSA-N 2 2 353.511 0.618 20 0 FCADLP COCCOC[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179319570 488861068 /nfs/dbraw/zinc/86/10/68/488861068.db2.gz BEQGAFTVBIVTGP-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000182279488 488864617 /nfs/dbraw/zinc/86/46/17/488864617.db2.gz MFGYCORMABICLG-ROUUACIJSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000182279488 488864618 /nfs/dbraw/zinc/86/46/18/488864618.db2.gz MFGYCORMABICLG-ROUUACIJSA-N 2 2 369.554 0.765 20 0 FCADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000280230549 488991276 /nfs/dbraw/zinc/99/12/76/488991276.db2.gz MHWQYHSRQLYCBI-UHFFFAOYSA-N 2 2 355.442 0.940 20 0 FCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334821 488993938 /nfs/dbraw/zinc/99/39/38/488993938.db2.gz KXMWMNUGYAGWSO-MAUKXSAKSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334821 488993941 /nfs/dbraw/zinc/99/39/41/488993941.db2.gz KXMWMNUGYAGWSO-MAUKXSAKSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329334821 488993944 /nfs/dbraw/zinc/99/39/44/488993944.db2.gz KXMWMNUGYAGWSO-MAUKXSAKSA-N 2 2 353.507 0.933 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329334821 488993948 /nfs/dbraw/zinc/99/39/48/488993948.db2.gz KXMWMNUGYAGWSO-MAUKXSAKSA-N 2 2 353.507 0.933 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000364753626 488997115 /nfs/dbraw/zinc/99/71/15/488997115.db2.gz GLRNLDJWMPNYLW-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000364753626 488997120 /nfs/dbraw/zinc/99/71/20/488997120.db2.gz GLRNLDJWMPNYLW-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000329395973 489000749 /nfs/dbraw/zinc/00/07/49/489000749.db2.gz UGLFTATXDDFENG-JKSUJKDBSA-N 2 2 359.536 0.337 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@H]2C1 ZINC000329459180 489006377 /nfs/dbraw/zinc/00/63/77/489006377.db2.gz RNEBHLAPIHGHRH-HOTGVXAUSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@H]2C1 ZINC000329459180 489006379 /nfs/dbraw/zinc/00/63/79/489006379.db2.gz RNEBHLAPIHGHRH-HOTGVXAUSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000329459181 489006888 /nfs/dbraw/zinc/00/68/88/489006888.db2.gz RNEBHLAPIHGHRH-HZPDHXFCSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000329459181 489006889 /nfs/dbraw/zinc/00/68/89/489006889.db2.gz RNEBHLAPIHGHRH-HZPDHXFCSA-N 2 2 362.478 0.773 20 0 FCADLP CCO[C@H]1C[C@@](CO)([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000364840031 489008864 /nfs/dbraw/zinc/00/88/64/489008864.db2.gz LIELFZDLJCBLTQ-ICSRJNTNSA-N 2 2 369.550 0.939 20 0 FCADLP CCO[C@H]1C[C@@](CO)([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000364840031 489008867 /nfs/dbraw/zinc/00/88/67/489008867.db2.gz LIELFZDLJCBLTQ-ICSRJNTNSA-N 2 2 369.550 0.939 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000280479865 489011839 /nfs/dbraw/zinc/01/18/39/489011839.db2.gz JCOQYEDJMZWKHH-UHFFFAOYSA-N 2 2 357.458 0.961 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C(N)=O)C3)CC2)cc1 ZINC000280496950 489013479 /nfs/dbraw/zinc/01/34/79/489013479.db2.gz BSJDJAMEGDBELF-HXUWFJFHSA-N 2 2 374.485 0.537 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@](C)(C(N)=O)C3)CC2)cc1 ZINC000280496950 489013481 /nfs/dbraw/zinc/01/34/81/489013481.db2.gz BSJDJAMEGDBELF-HXUWFJFHSA-N 2 2 374.485 0.537 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000280720452 489027398 /nfs/dbraw/zinc/02/73/98/489027398.db2.gz KDQIPUIYNSDVEZ-QGZVFWFLSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000280720452 489027400 /nfs/dbraw/zinc/02/74/00/489027400.db2.gz KDQIPUIYNSDVEZ-QGZVFWFLSA-N 2 2 350.488 0.590 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000365152119 489043778 /nfs/dbraw/zinc/04/37/78/489043778.db2.gz NVVTZEGJUNEBDS-SFHVURJKSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000365152119 489043780 /nfs/dbraw/zinc/04/37/80/489043780.db2.gz NVVTZEGJUNEBDS-SFHVURJKSA-N 2 2 351.491 0.953 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000329874676 489043952 /nfs/dbraw/zinc/04/39/52/489043952.db2.gz FWYAVDPXKUULPB-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000329874676 489043954 /nfs/dbraw/zinc/04/39/54/489043954.db2.gz FWYAVDPXKUULPB-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000329874676 489043957 /nfs/dbraw/zinc/04/39/57/489043957.db2.gz FWYAVDPXKUULPB-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000329874676 489043958 /nfs/dbraw/zinc/04/39/58/489043958.db2.gz FWYAVDPXKUULPB-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000289213917 489049836 /nfs/dbraw/zinc/04/98/36/489049836.db2.gz CDJDJACVPKJZPT-HNNXBMFYSA-N 2 2 357.458 0.497 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000289213917 489049840 /nfs/dbraw/zinc/04/98/40/489049840.db2.gz CDJDJACVPKJZPT-HNNXBMFYSA-N 2 2 357.458 0.497 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000289308693 489057518 /nfs/dbraw/zinc/05/75/18/489057518.db2.gz WIOITIPBGYROHK-GASCZTMLSA-N 2 2 373.457 0.566 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000289308693 489057520 /nfs/dbraw/zinc/05/75/20/489057520.db2.gz WIOITIPBGYROHK-GASCZTMLSA-N 2 2 373.457 0.566 20 0 FCADLP C[C@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329984791 489057904 /nfs/dbraw/zinc/05/79/04/489057904.db2.gz CPTHJYZOEUUVHL-JKSUJKDBSA-N 2 2 368.503 0.548 20 0 FCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000281271559 489063747 /nfs/dbraw/zinc/06/37/47/489063747.db2.gz IAFLYVNSZVINBI-UHFFFAOYSA-N 2 2 362.474 0.585 20 0 FCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000281271559 489063752 /nfs/dbraw/zinc/06/37/52/489063752.db2.gz IAFLYVNSZVINBI-UHFFFAOYSA-N 2 2 362.474 0.585 20 0 FCADLP C[C@@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)S1=O ZINC000330104880 489069822 /nfs/dbraw/zinc/06/98/22/489069822.db2.gz HXEGXMLHVNPIDT-HZPDHXFCSA-N 2 2 364.515 0.962 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000281443054 489076000 /nfs/dbraw/zinc/07/60/00/489076000.db2.gz UDEWJMNOWBQORG-MSOLQXFVSA-N 2 2 372.469 0.761 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000281443054 489076004 /nfs/dbraw/zinc/07/60/04/489076004.db2.gz UDEWJMNOWBQORG-MSOLQXFVSA-N 2 2 372.469 0.761 20 0 FCADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000563248363 491231820 /nfs/dbraw/zinc/23/18/20/491231820.db2.gz AAZOABOMIJUQRL-UHFFFAOYSA-N 2 2 358.442 0.616 20 0 FCADLP C[NH2+]CC(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000281541237 489084586 /nfs/dbraw/zinc/08/45/86/489084586.db2.gz XFRUYCQMSKFQBH-UHFFFAOYSA-N 2 2 362.474 0.108 20 0 FCADLP C[N@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773271 489092413 /nfs/dbraw/zinc/09/24/13/489092413.db2.gz KMKUIXIUCIFYBX-PMACEKPBSA-N 2 2 372.513 0.865 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773271 489092415 /nfs/dbraw/zinc/09/24/15/489092415.db2.gz KMKUIXIUCIFYBX-PMACEKPBSA-N 2 2 372.513 0.865 20 0 FCADLP C[C@H]1OCC[C@@]12C[N@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666781 489098312 /nfs/dbraw/zinc/09/83/12/489098312.db2.gz AEIQPMHLTKZRLR-GPMSIDNRSA-N 2 2 361.490 0.997 20 0 FCADLP C[C@H]1OCC[C@@]12C[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666781 489098314 /nfs/dbraw/zinc/09/83/14/489098314.db2.gz AEIQPMHLTKZRLR-GPMSIDNRSA-N 2 2 361.490 0.997 20 0 FCADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290261898 489125621 /nfs/dbraw/zinc/12/56/21/489125621.db2.gz CURQGRJHONJMNC-UHFFFAOYSA-N 2 2 357.414 0.804 20 0 FCADLP CC(=O)N(C)C1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330634172 489125880 /nfs/dbraw/zinc/12/58/80/489125880.db2.gz KVMSWYHUTMPEBW-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000365928911 489127643 /nfs/dbraw/zinc/12/76/43/489127643.db2.gz QGEYWEZMXZQSRK-CYBMUJFWSA-N 2 2 362.430 0.740 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000365928911 489127645 /nfs/dbraw/zinc/12/76/45/489127645.db2.gz QGEYWEZMXZQSRK-CYBMUJFWSA-N 2 2 362.430 0.740 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N3CCCC3)CC1)C2 ZINC000290296483 489128346 /nfs/dbraw/zinc/12/83/46/489128346.db2.gz DQFQEHSIOGQMEQ-WBVHZDCISA-N 2 2 373.501 0.909 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000290386247 489135527 /nfs/dbraw/zinc/13/55/27/489135527.db2.gz HTABHIRJAJYLMV-HNNXBMFYSA-N 2 2 357.458 0.473 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559411 489149827 /nfs/dbraw/zinc/14/98/27/489149827.db2.gz PFKPLYZGLYQFNO-DLBZAZTESA-N 2 2 373.501 0.871 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559411 489149830 /nfs/dbraw/zinc/14/98/30/489149830.db2.gz PFKPLYZGLYQFNO-DLBZAZTESA-N 2 2 373.501 0.871 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@H+](C)CC1 ZINC000290760115 489163558 /nfs/dbraw/zinc/16/35/58/489163558.db2.gz ZUSLXZLAIADBSR-ZBFHGGJFSA-N 2 2 357.458 0.543 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@@H+](C)CC1 ZINC000290760115 489163561 /nfs/dbraw/zinc/16/35/61/489163561.db2.gz ZUSLXZLAIADBSR-ZBFHGGJFSA-N 2 2 357.458 0.543 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282515853 489170972 /nfs/dbraw/zinc/17/09/72/489170972.db2.gz YOCWIZCRWDPFBT-AWEZNQCLSA-N 2 2 362.430 0.600 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570381813 491237079 /nfs/dbraw/zinc/23/70/79/491237079.db2.gz LKGIFOSWCQVFTC-JKSUJKDBSA-N 2 2 361.494 0.286 20 0 FCADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366465459 489185836 /nfs/dbraw/zinc/18/58/36/489185836.db2.gz XPMSBBYMHQKSHU-MSOLQXFVSA-N 2 2 366.506 0.602 20 0 FCADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366465459 489185840 /nfs/dbraw/zinc/18/58/40/489185840.db2.gz XPMSBBYMHQKSHU-MSOLQXFVSA-N 2 2 366.506 0.602 20 0 FCADLP CCNC(=O)COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000570396743 491238164 /nfs/dbraw/zinc/23/81/64/491238164.db2.gz PDVOZGXNLLXPIU-OAHLLOKOSA-N 2 2 350.463 0.285 20 0 FCADLP CCNC(=O)COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000570396743 491238166 /nfs/dbraw/zinc/23/81/66/491238166.db2.gz PDVOZGXNLLXPIU-OAHLLOKOSA-N 2 2 350.463 0.285 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000282833787 489193016 /nfs/dbraw/zinc/19/30/16/489193016.db2.gz AOZCHTRFZHHOAN-ZENOOKHLSA-N 2 2 365.478 0.461 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000282833787 489193018 /nfs/dbraw/zinc/19/30/18/489193018.db2.gz AOZCHTRFZHHOAN-ZENOOKHLSA-N 2 2 365.478 0.461 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000282833787 489193020 /nfs/dbraw/zinc/19/30/20/489193020.db2.gz AOZCHTRFZHHOAN-ZENOOKHLSA-N 2 2 365.478 0.461 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000282833787 489193022 /nfs/dbraw/zinc/19/30/22/489193022.db2.gz AOZCHTRFZHHOAN-ZENOOKHLSA-N 2 2 365.478 0.461 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000283027155 489207895 /nfs/dbraw/zinc/20/78/95/489207895.db2.gz HIDXFZBURSTUKN-OALUTQOASA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000283027155 489207898 /nfs/dbraw/zinc/20/78/98/489207898.db2.gz HIDXFZBURSTUKN-OALUTQOASA-N 2 2 361.486 0.975 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331412227 489208268 /nfs/dbraw/zinc/20/82/68/489208268.db2.gz CLHZZEMTCDOSDG-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331412227 489208269 /nfs/dbraw/zinc/20/82/69/489208269.db2.gz CLHZZEMTCDOSDG-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCCCn2cc[nH+]c2)Cc2ccccc2C1 ZINC000283141175 489219538 /nfs/dbraw/zinc/21/95/38/489219538.db2.gz DTDOMARHBZGNRT-UHFFFAOYSA-N 2 2 369.469 0.605 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000332565408 489221162 /nfs/dbraw/zinc/22/11/62/489221162.db2.gz ZEHULYTXYRXUPA-IRXDYDNUSA-N 2 2 358.486 0.848 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000297695051 489225491 /nfs/dbraw/zinc/22/54/91/489225491.db2.gz HHZAJFMCSLRQFP-UHFFFAOYSA-N 2 2 361.446 0.915 20 0 FCADLP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000283231102 489230712 /nfs/dbraw/zinc/23/07/12/489230712.db2.gz KONSOUYTLMKGTN-UHFFFAOYSA-N 2 2 373.457 0.646 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000332792139 489231502 /nfs/dbraw/zinc/23/15/02/489231502.db2.gz MRHQTHKWYIFSNQ-KURKYZTESA-N 2 2 368.522 0.584 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000283251536 489233405 /nfs/dbraw/zinc/23/34/05/489233405.db2.gz WZROMUBNZJURIA-OAHLLOKOSA-N 2 2 361.490 0.743 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000283251536 489233408 /nfs/dbraw/zinc/23/34/08/489233408.db2.gz WZROMUBNZJURIA-OAHLLOKOSA-N 2 2 361.490 0.743 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000283262957 489235190 /nfs/dbraw/zinc/23/51/90/489235190.db2.gz ASLKQFDJYMJNCX-OAHLLOKOSA-N 2 2 359.430 0.854 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000283266643 489235566 /nfs/dbraw/zinc/23/55/66/489235566.db2.gz AJGPZNSGAIAHSM-HNNXBMFYSA-N 2 2 357.458 0.520 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000369464454 489240904 /nfs/dbraw/zinc/24/09/04/489240904.db2.gz RBGPORUENMOYOU-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000369464454 489240908 /nfs/dbraw/zinc/24/09/08/489240908.db2.gz RBGPORUENMOYOU-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000283307139 489242911 /nfs/dbraw/zinc/24/29/11/489242911.db2.gz DOSLLOJBECGXKJ-OAHLLOKOSA-N 2 2 373.457 0.078 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C[C@@H]21 ZINC000332898412 489244411 /nfs/dbraw/zinc/24/44/11/489244411.db2.gz NERFSLYHYJHXFG-MWDXBVQZSA-N 2 2 352.479 0.089 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C[C@@H]21 ZINC000332898412 489244414 /nfs/dbraw/zinc/24/44/14/489244414.db2.gz NERFSLYHYJHXFG-MWDXBVQZSA-N 2 2 352.479 0.089 20 0 FCADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297893731 489259010 /nfs/dbraw/zinc/25/90/10/489259010.db2.gz OTFUQCUZYINNNK-UHFFFAOYSA-N 2 2 350.438 0.490 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)NCC(C)(C)[NH+]3CCOCC3)n2)CC1 ZINC000369671033 489261799 /nfs/dbraw/zinc/26/17/99/489261799.db2.gz QUTJIWIMVMESFJ-UHFFFAOYSA-N 2 2 364.494 1.382 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H]1n1cc[nH+]c1 ZINC000297963815 489269999 /nfs/dbraw/zinc/26/99/99/489269999.db2.gz VVBWVGCDFAPJGQ-GPMSIDNRSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H]1n1cc[nH+]c1 ZINC000297963815 489270002 /nfs/dbraw/zinc/27/00/02/489270002.db2.gz VVBWVGCDFAPJGQ-GPMSIDNRSA-N 2 2 359.474 0.847 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCN(C=O)CC3)CC2)cc1 ZINC000298014253 489278681 /nfs/dbraw/zinc/27/86/81/489278681.db2.gz CSCCDWPBVGQVLJ-UHFFFAOYSA-N 2 2 374.485 0.504 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCN(C=O)CC3)CC2)cc1 ZINC000298014253 489278683 /nfs/dbraw/zinc/27/86/83/489278683.db2.gz CSCCDWPBVGQVLJ-UHFFFAOYSA-N 2 2 374.485 0.504 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCC[NH+]1CCOCC1 ZINC000369826142 489280110 /nfs/dbraw/zinc/28/01/10/489280110.db2.gz QCHBITYKPGCDJP-GOSISDBHSA-N 2 2 357.458 0.838 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C=O)CC1 ZINC000298029026 489280626 /nfs/dbraw/zinc/28/06/26/489280626.db2.gz FSBVLGDXPLCHSV-MJGOQNOKSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C=O)CC1 ZINC000298029026 489280629 /nfs/dbraw/zinc/28/06/29/489280629.db2.gz FSBVLGDXPLCHSV-MJGOQNOKSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029026 489280631 /nfs/dbraw/zinc/28/06/31/489280631.db2.gz FSBVLGDXPLCHSV-MJGOQNOKSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029026 489280634 /nfs/dbraw/zinc/28/06/34/489280634.db2.gz FSBVLGDXPLCHSV-MJGOQNOKSA-N 2 2 358.486 0.930 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NCCn2cc[nH+]c2C)[NH+](C)C)c1 ZINC000283643123 489285188 /nfs/dbraw/zinc/28/51/88/489285188.db2.gz YOQJZQUSXXVHIB-QGZVFWFLSA-N 2 2 373.457 0.735 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082647 489287891 /nfs/dbraw/zinc/28/78/91/489287891.db2.gz SZFIWPXFJQPRQH-HOTGVXAUSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082647 489287893 /nfs/dbraw/zinc/28/78/93/489287893.db2.gz SZFIWPXFJQPRQH-HOTGVXAUSA-N 2 2 359.474 0.529 20 0 FCADLP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000298097828 489290464 /nfs/dbraw/zinc/29/04/64/489290464.db2.gz UIQMRGGIDREKCX-UHFFFAOYSA-N 2 2 361.471 0.877 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284243595 489304820 /nfs/dbraw/zinc/30/48/20/489304820.db2.gz YVJJXHNDLXPALM-WBVHZDCISA-N 2 2 362.474 0.242 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCNC(=O)C3CCC3)C2)CC1 ZINC000370076748 489313926 /nfs/dbraw/zinc/31/39/26/489313926.db2.gz HXIPJDTVALRSDL-MRXNPFEDSA-N 2 2 365.522 0.761 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCNC(=O)C3CCC3)C2)CC1 ZINC000370076748 489313929 /nfs/dbraw/zinc/31/39/29/489313929.db2.gz HXIPJDTVALRSDL-MRXNPFEDSA-N 2 2 365.522 0.761 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149401 489321134 /nfs/dbraw/zinc/32/11/34/489321134.db2.gz OLECDVZPOIPKKW-QRQLOZEOSA-N 2 2 374.533 0.873 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370149401 489321136 /nfs/dbraw/zinc/32/11/36/489321136.db2.gz OLECDVZPOIPKKW-QRQLOZEOSA-N 2 2 374.533 0.873 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000285865247 489328523 /nfs/dbraw/zinc/32/85/23/489328523.db2.gz KPUIQUFEVMVTLF-KRWDZBQOSA-N 2 2 355.442 0.823 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000285865247 489328525 /nfs/dbraw/zinc/32/85/25/489328525.db2.gz KPUIQUFEVMVTLF-KRWDZBQOSA-N 2 2 355.442 0.823 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000285924356 489334063 /nfs/dbraw/zinc/33/40/63/489334063.db2.gz UWDAUKCPCMMSQS-LJQANCHMSA-N 2 2 372.513 0.831 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000285924356 489334067 /nfs/dbraw/zinc/33/40/67/489334067.db2.gz UWDAUKCPCMMSQS-LJQANCHMSA-N 2 2 372.513 0.831 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000285960057 489338904 /nfs/dbraw/zinc/33/89/04/489338904.db2.gz PYFIGUIFZOJUGC-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000285960057 489338906 /nfs/dbraw/zinc/33/89/06/489338906.db2.gz PYFIGUIFZOJUGC-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP Cn1c[nH+]cc1Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000350411836 489339407 /nfs/dbraw/zinc/33/94/07/489339407.db2.gz XTDHKNKGIXYHST-UHFFFAOYSA-N 2 2 367.413 0.844 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000285986211 489341901 /nfs/dbraw/zinc/34/19/01/489341901.db2.gz OMCIKLLSGMOUGM-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000285986211 489341903 /nfs/dbraw/zinc/34/19/03/489341903.db2.gz OMCIKLLSGMOUGM-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000285986211 489341905 /nfs/dbraw/zinc/34/19/05/489341905.db2.gz OMCIKLLSGMOUGM-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000285986211 489341907 /nfs/dbraw/zinc/34/19/07/489341907.db2.gz OMCIKLLSGMOUGM-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP Cc1cccn2cc(Cc3nc(CC(=O)N4CC[NH+](C)CC4)no3)[nH+]c12 ZINC000350733585 489346880 /nfs/dbraw/zinc/34/68/80/489346880.db2.gz FCQXLLGPHBOVCO-UHFFFAOYSA-N 2 2 354.414 0.933 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)C1CC1 ZINC000286149596 489361472 /nfs/dbraw/zinc/36/14/72/489361472.db2.gz YLCCHWPNXXYPDH-MRXNPFEDSA-N 2 2 373.501 0.887 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)C1CC1 ZINC000286149596 489361474 /nfs/dbraw/zinc/36/14/74/489361474.db2.gz YLCCHWPNXXYPDH-MRXNPFEDSA-N 2 2 373.501 0.887 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)CC1 ZINC000370530334 489371176 /nfs/dbraw/zinc/37/11/76/489371176.db2.gz CVOXEXYFYHHKLO-INIZCTEOSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)CC1 ZINC000370530334 489371177 /nfs/dbraw/zinc/37/11/77/489371177.db2.gz CVOXEXYFYHHKLO-INIZCTEOSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144107 489377118 /nfs/dbraw/zinc/37/71/18/489377118.db2.gz ZDGRQCPEACJAOZ-RDJZCZTQSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144107 489377121 /nfs/dbraw/zinc/37/71/21/489377121.db2.gz ZDGRQCPEACJAOZ-RDJZCZTQSA-N 2 2 363.506 0.608 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000370766711 489398899 /nfs/dbraw/zinc/39/88/99/489398899.db2.gz OBZOMNIWPAHOSQ-GOSISDBHSA-N 2 2 364.421 0.389 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000299051918 489400293 /nfs/dbraw/zinc/40/02/93/489400293.db2.gz JBMAYRGPISYXPL-UHFFFAOYSA-N 2 2 373.432 0.955 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370809175 489405740 /nfs/dbraw/zinc/40/57/40/489405740.db2.gz FPJODYQFVQEZOT-SFHVURJKSA-N 2 2 373.501 0.573 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286675902 489416139 /nfs/dbraw/zinc/41/61/39/489416139.db2.gz WMUYAAWNTLPPOI-GJZGRUSLSA-N 2 2 365.478 0.265 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299209754 489417721 /nfs/dbraw/zinc/41/77/21/489417721.db2.gz VUYZIPGLJUXAJJ-KRWDZBQOSA-N 2 2 371.485 0.817 20 0 FCADLP CCOC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000370896034 489424844 /nfs/dbraw/zinc/42/48/44/489424844.db2.gz VSNPZGNAIBDWAR-INIZCTEOSA-N 2 2 368.478 0.130 20 0 FCADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2[nH+]ccn2C)c1 ZINC000286786276 489428684 /nfs/dbraw/zinc/42/86/84/489428684.db2.gz JHXMWIHKNNDGDU-UHFFFAOYSA-N 2 2 357.458 0.935 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021573 489439121 /nfs/dbraw/zinc/43/91/21/489439121.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021573 489439125 /nfs/dbraw/zinc/43/91/25/489439125.db2.gz ZZATUXUKTZRGSW-CVEARBPZSA-N 3 2 353.511 0.175 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000299472105 489445665 /nfs/dbraw/zinc/44/56/65/489445665.db2.gz DHWISAUJJCHRLX-UHFFFAOYSA-N 3 2 365.478 0.761 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000286977450 489448132 /nfs/dbraw/zinc/44/81/32/489448132.db2.gz AVACNLLCMMAFMG-CQSZACIVSA-N 2 2 358.446 0.784 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363278195 489448228 /nfs/dbraw/zinc/44/82/28/489448228.db2.gz KFJNVKBEDWANBI-MSOLQXFVSA-N 2 2 373.501 0.261 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000287024458 489453363 /nfs/dbraw/zinc/45/33/63/489453363.db2.gz DQJSRVPGCOMHND-HZPDHXFCSA-N 2 2 359.474 0.719 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(CNC(N)=O)cc3)C2)CC1 ZINC000363338522 489454706 /nfs/dbraw/zinc/45/47/06/489454706.db2.gz HSESUBOGHZNQTA-MRXNPFEDSA-N 2 2 359.474 0.753 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(CNC(N)=O)cc3)C2)CC1 ZINC000363338522 489454707 /nfs/dbraw/zinc/45/47/07/489454707.db2.gz HSESUBOGHZNQTA-MRXNPFEDSA-N 2 2 359.474 0.753 20 0 FCADLP CCN(CC)S(=O)(=O)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363350293 489456008 /nfs/dbraw/zinc/45/60/08/489456008.db2.gz WNXOCVDHDXSFNY-INIZCTEOSA-N 2 2 374.551 0.285 20 0 FCADLP C[C@H]1C[NH+](CC2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000363386652 489460656 /nfs/dbraw/zinc/46/06/56/489460656.db2.gz SKCUKCPEOZZNIM-IRXDYDNUSA-N 2 2 368.522 0.849 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300598 489475430 /nfs/dbraw/zinc/47/54/30/489475430.db2.gz QENDCPBNTZIWRR-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300598 489475433 /nfs/dbraw/zinc/47/54/33/489475433.db2.gz QENDCPBNTZIWRR-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300581 489475535 /nfs/dbraw/zinc/47/55/35/489475535.db2.gz PZCRMHXPHSNMJH-HRCADAONSA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300581 489475538 /nfs/dbraw/zinc/47/55/38/489475538.db2.gz PZCRMHXPHSNMJH-HRCADAONSA-N 2 2 355.479 0.629 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000287321942 489477729 /nfs/dbraw/zinc/47/77/29/489477729.db2.gz MFMAOZNLKDPJOI-DOTOQJQBSA-N 2 2 362.474 0.957 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371352113 489479743 /nfs/dbraw/zinc/47/97/43/489479743.db2.gz WUMICIIYKXBVCO-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CN(C(=O)c1cnc2c(c1)NC(=O)CO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371406663 489483123 /nfs/dbraw/zinc/48/31/23/489483123.db2.gz MZDDYKZOAARHQT-HNNXBMFYSA-N 2 2 373.457 0.653 20 0 FCADLP CN(C(=O)c1cnc2c(c1)NC(=O)CO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371406663 489483124 /nfs/dbraw/zinc/48/31/24/489483124.db2.gz MZDDYKZOAARHQT-HNNXBMFYSA-N 2 2 373.457 0.653 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2C1 ZINC000371400672 489483136 /nfs/dbraw/zinc/48/31/36/489483136.db2.gz INTHFTOXLBMCRS-MSOLQXFVSA-N 2 2 372.469 0.628 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2C1 ZINC000371400672 489483137 /nfs/dbraw/zinc/48/31/37/489483137.db2.gz INTHFTOXLBMCRS-MSOLQXFVSA-N 2 2 372.469 0.628 20 0 FCADLP CN(C(=O)c1cnc2c(c1)NC(=O)CO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371406664 489483145 /nfs/dbraw/zinc/48/31/45/489483145.db2.gz MZDDYKZOAARHQT-OAHLLOKOSA-N 2 2 373.457 0.653 20 0 FCADLP CN(C(=O)c1cnc2c(c1)NC(=O)CO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371406664 489483147 /nfs/dbraw/zinc/48/31/47/489483147.db2.gz MZDDYKZOAARHQT-OAHLLOKOSA-N 2 2 373.457 0.653 20 0 FCADLP Cc1oc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363617437 489483717 /nfs/dbraw/zinc/48/37/17/489483717.db2.gz TVVWSJAWGXWNAX-GFCCVEGCSA-N 2 2 370.475 0.134 20 0 FCADLP Cc1oc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363617437 489483718 /nfs/dbraw/zinc/48/37/18/489483718.db2.gz TVVWSJAWGXWNAX-GFCCVEGCSA-N 2 2 370.475 0.134 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000423218455 489504049 /nfs/dbraw/zinc/50/40/49/489504049.db2.gz VNYXJUHPFZYWNZ-LSDHHAIUSA-N 2 2 360.458 0.733 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1C ZINC000423220606 489504592 /nfs/dbraw/zinc/50/45/92/489504592.db2.gz YKGGHGIGYXEYNY-HUUCEWRRSA-N 2 2 360.458 0.733 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423294047 489512244 /nfs/dbraw/zinc/51/22/44/489512244.db2.gz BBBXYJREIHTUTF-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423294047 489512246 /nfs/dbraw/zinc/51/22/46/489512246.db2.gz BBBXYJREIHTUTF-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415380291 489516802 /nfs/dbraw/zinc/51/68/02/489516802.db2.gz PKOVHWUCVZFTNY-KRWDZBQOSA-N 2 2 359.474 0.241 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000451701616 489518587 /nfs/dbraw/zinc/51/85/87/489518587.db2.gz HNAUAPBTWJZFTD-BRWVUGGUSA-N 2 2 353.507 0.696 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000451701616 489518589 /nfs/dbraw/zinc/51/85/89/489518589.db2.gz HNAUAPBTWJZFTD-BRWVUGGUSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[NH2+]1 ZINC000415429499 489520302 /nfs/dbraw/zinc/52/03/02/489520302.db2.gz IMPLVTBFDCBXQM-HNNXBMFYSA-N 2 2 359.474 0.193 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)c2)CC1 ZINC000415445309 489521964 /nfs/dbraw/zinc/52/19/64/489521964.db2.gz DWGXCTBHFOFCGI-QGZVFWFLSA-N 2 2 359.474 0.226 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415493838 489524850 /nfs/dbraw/zinc/52/48/50/489524850.db2.gz MGKMZQDMZFVLEP-SFHVURJKSA-N 2 2 373.501 0.583 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000415515260 489526375 /nfs/dbraw/zinc/52/63/75/489526375.db2.gz HTANMDDMTZBQRU-OAHLLOKOSA-N 2 2 361.490 0.474 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCC3)c2)CC1 ZINC000415557375 489529917 /nfs/dbraw/zinc/52/99/17/489529917.db2.gz HRICKKDDLMGNPV-UHFFFAOYSA-N 2 2 359.474 0.370 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371987673 489531796 /nfs/dbraw/zinc/53/17/96/489531796.db2.gz OLJBGWNTSJMAHS-IRXDYDNUSA-N 2 2 368.522 0.728 20 0 FCADLP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000451944809 489532754 /nfs/dbraw/zinc/53/27/54/489532754.db2.gz QNFHFXWIFHIEJE-IAGOWNOFSA-N 2 2 369.506 0.531 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000415667408 489540080 /nfs/dbraw/zinc/54/00/80/489540080.db2.gz AFOPZJIKCJMWKZ-OIISXLGYSA-N 2 2 372.469 0.696 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000415767153 489551278 /nfs/dbraw/zinc/55/12/78/489551278.db2.gz YALHRFVOXLJXKG-PIIMJCKOSA-N 2 2 371.485 0.097 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426022344 489553032 /nfs/dbraw/zinc/55/30/32/489553032.db2.gz LWMUNQDEKHTMIB-BZUAXINKSA-N 2 2 367.538 0.944 20 0 FCADLP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000415791310 489553384 /nfs/dbraw/zinc/55/33/84/489553384.db2.gz RRKLEAYKKIOKSA-MRXNPFEDSA-N 2 2 361.490 0.616 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000415852668 489559043 /nfs/dbraw/zinc/55/90/43/489559043.db2.gz RIRCKLDJBHMANW-DOTOQJQBSA-N 2 2 374.485 0.901 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372218614 489560717 /nfs/dbraw/zinc/56/07/17/489560717.db2.gz ULZGYHGGLGSXRI-INIZCTEOSA-N 2 2 365.478 0.093 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948307 489565218 /nfs/dbraw/zinc/56/52/18/489565218.db2.gz CIHBUCCLJWBZAW-UHFFFAOYSA-N 2 2 363.466 0.119 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415948307 489565221 /nfs/dbraw/zinc/56/52/21/489565221.db2.gz CIHBUCCLJWBZAW-UHFFFAOYSA-N 2 2 363.466 0.119 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000555663668 491263565 /nfs/dbraw/zinc/26/35/65/491263565.db2.gz OXSOSFILXPHJLK-UHFFFAOYSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000555663668 491263566 /nfs/dbraw/zinc/26/35/66/491263566.db2.gz OXSOSFILXPHJLK-UHFFFAOYSA-N 2 2 356.511 0.448 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000416142348 489571355 /nfs/dbraw/zinc/57/13/55/489571355.db2.gz CHNLLYSVXCGPHA-BZUAXINKSA-N 2 2 361.552 0.930 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000416142348 489571357 /nfs/dbraw/zinc/57/13/57/489571357.db2.gz CHNLLYSVXCGPHA-BZUAXINKSA-N 2 2 361.552 0.930 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331501 489571530 /nfs/dbraw/zinc/57/15/30/489571530.db2.gz KRUAFGHEOCHPCM-BDXSIMOUSA-N 2 2 352.523 0.628 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331501 489571531 /nfs/dbraw/zinc/57/15/31/489571531.db2.gz KRUAFGHEOCHPCM-BDXSIMOUSA-N 2 2 352.523 0.628 20 0 FCADLP Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000372454312 489586068 /nfs/dbraw/zinc/58/60/68/489586068.db2.gz MSDRHCMSEDTMNX-RYQLBKOJSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000372454312 489586071 /nfs/dbraw/zinc/58/60/71/489586071.db2.gz MSDRHCMSEDTMNX-RYQLBKOJSA-N 2 2 361.490 0.782 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000455611340 489596878 /nfs/dbraw/zinc/59/68/78/489596878.db2.gz LUFBAMMBWAYZTI-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000455611340 489596880 /nfs/dbraw/zinc/59/68/80/489596880.db2.gz LUFBAMMBWAYZTI-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP O=S(=O)([C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000372555292 489599501 /nfs/dbraw/zinc/59/95/01/489599501.db2.gz GJOFXWSSJXIPDL-QGZVFWFLSA-N 2 2 359.536 0.989 20 0 FCADLP O=S(=O)([C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000372555292 489599503 /nfs/dbraw/zinc/59/95/03/489599503.db2.gz GJOFXWSSJXIPDL-QGZVFWFLSA-N 2 2 359.536 0.989 20 0 FCADLP O=C(C[C@H]1CC[NH2+]C1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000427280360 489600744 /nfs/dbraw/zinc/60/07/44/489600744.db2.gz JIXLGAUWHXDUCP-MRXNPFEDSA-N 2 2 350.507 0.827 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](OCCO)C3)C2)CC1 ZINC000372591716 489604784 /nfs/dbraw/zinc/60/47/84/489604784.db2.gz OJWXUVUHPUTQCX-NVXWUHKLSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](OCCO)C3)C2)CC1 ZINC000372591716 489604788 /nfs/dbraw/zinc/60/47/88/489604788.db2.gz OJWXUVUHPUTQCX-NVXWUHKLSA-N 2 2 354.495 0.338 20 0 FCADLP COCC[NH2+]CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416884778 489632908 /nfs/dbraw/zinc/63/29/08/489632908.db2.gz DIPMSQRROHKRGL-QGZVFWFLSA-N 2 2 350.463 0.595 20 0 FCADLP O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000428039742 489634228 /nfs/dbraw/zinc/63/42/28/489634228.db2.gz GJNNSUPRLIXPHK-VQTJNVASSA-N 2 2 372.513 0.819 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417083996 489640503 /nfs/dbraw/zinc/64/05/03/489640503.db2.gz VGTKNLVKTIJCOX-HNNXBMFYSA-N 2 2 360.462 0.489 20 0 FCADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](CCO)CCCO)n2)CC1 ZINC000428237283 489642885 /nfs/dbraw/zinc/64/28/85/489642885.db2.gz KJMPIUMYWSADGF-UHFFFAOYSA-N 2 2 370.519 0.990 20 0 FCADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](CCO)CCCO)n2)CC1 ZINC000428237283 489642888 /nfs/dbraw/zinc/64/28/88/489642888.db2.gz KJMPIUMYWSADGF-UHFFFAOYSA-N 2 2 370.519 0.990 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417297467 489646680 /nfs/dbraw/zinc/64/66/80/489646680.db2.gz OCIZWLIQLNKEMY-HNNXBMFYSA-N 2 2 350.463 0.792 20 0 FCADLP [NH3+]C[C@@H](NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000417291544 489646713 /nfs/dbraw/zinc/64/67/13/489646713.db2.gz ASGVIJHSJNNUMZ-GOSISDBHSA-N 2 2 362.474 0.934 20 0 FCADLP [NH3+]C[C@H](NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000417319421 489647944 /nfs/dbraw/zinc/64/79/44/489647944.db2.gz NMNGOPBKZWSWQC-KRWDZBQOSA-N 2 2 362.474 0.934 20 0 FCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000417358189 489649622 /nfs/dbraw/zinc/64/96/22/489649622.db2.gz SRRXNGQKRUVNLO-UHFFFAOYSA-N 2 2 355.508 0.863 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457576770 489649834 /nfs/dbraw/zinc/64/98/34/489649834.db2.gz MDSHZACMIRRMBR-UHFFFAOYSA-N 2 2 367.490 0.585 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372985124 489658644 /nfs/dbraw/zinc/65/86/44/489658644.db2.gz VWEXQCFFZQCMPQ-DLBZAZTESA-N 2 2 366.506 0.794 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417661101 489660960 /nfs/dbraw/zinc/66/09/60/489660960.db2.gz OOXZYEDKYJETIJ-SWLSCSKDSA-N 2 2 355.433 0.770 20 0 FCADLP C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000417720779 489662774 /nfs/dbraw/zinc/66/27/74/489662774.db2.gz XUVDFYCNVRZOHZ-OWCLPIDISA-N 2 2 352.523 0.974 20 0 FCADLP C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000417720779 489662777 /nfs/dbraw/zinc/66/27/77/489662777.db2.gz XUVDFYCNVRZOHZ-OWCLPIDISA-N 2 2 352.523 0.974 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000373086097 489667106 /nfs/dbraw/zinc/66/71/06/489667106.db2.gz AKXPUQYQKLYMAX-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000373148814 489673474 /nfs/dbraw/zinc/67/34/74/489673474.db2.gz ZVKXFAKKKUBXBK-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000373148814 489673475 /nfs/dbraw/zinc/67/34/75/489673475.db2.gz ZVKXFAKKKUBXBK-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000418082505 489678097 /nfs/dbraw/zinc/67/80/97/489678097.db2.gz JHQZHGCRWMPJJL-CUYAVPTFSA-N 2 2 368.522 0.945 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000373223206 489680479 /nfs/dbraw/zinc/68/04/79/489680479.db2.gz HDZGMIGLBSORQP-OKZBNKHCSA-N 2 2 350.507 0.478 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000373223206 489680482 /nfs/dbraw/zinc/68/04/82/489680482.db2.gz HDZGMIGLBSORQP-OKZBNKHCSA-N 2 2 350.507 0.478 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418303685 489690053 /nfs/dbraw/zinc/69/00/53/489690053.db2.gz STEQKQKDQNPOCS-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418388981 489695691 /nfs/dbraw/zinc/69/56/91/489695691.db2.gz SWJPFPGSAIHQEE-PBHICJAKSA-N 2 2 365.522 0.888 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000418383564 489695844 /nfs/dbraw/zinc/69/58/44/489695844.db2.gz JIIZOQGTERQACX-KBMXLJTQSA-N 2 2 354.474 0.829 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000418383564 489695847 /nfs/dbraw/zinc/69/58/47/489695847.db2.gz JIIZOQGTERQACX-KBMXLJTQSA-N 2 2 354.474 0.829 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418398482 489696488 /nfs/dbraw/zinc/69/64/88/489696488.db2.gz FEGVUUVYRADQLC-JKSUJKDBSA-N 2 2 353.511 0.698 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCCOCC3)CC2)CC1 ZINC000429679806 489696688 /nfs/dbraw/zinc/69/66/88/489696688.db2.gz RJWLGFNMSYETOL-UHFFFAOYSA-N 2 2 366.550 0.975 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(CC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000429679806 489696691 /nfs/dbraw/zinc/69/66/91/489696691.db2.gz RJWLGFNMSYETOL-UHFFFAOYSA-N 2 2 366.550 0.975 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(CC[N@H+]3CCCOCC3)CC2)CC1 ZINC000429679806 489696695 /nfs/dbraw/zinc/69/66/95/489696695.db2.gz RJWLGFNMSYETOL-UHFFFAOYSA-N 2 2 366.550 0.975 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000418411479 489697560 /nfs/dbraw/zinc/69/75/60/489697560.db2.gz FUCAQTHMDBDKCO-HOTGVXAUSA-N 2 2 371.526 0.228 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442210 489698310 /nfs/dbraw/zinc/69/83/10/489698310.db2.gz JGVOMFDSHWPXNY-JKSUJKDBSA-N 2 2 369.510 0.078 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418478024 489700804 /nfs/dbraw/zinc/70/08/04/489700804.db2.gz YSCYFNBRAZUBML-HOTGVXAUSA-N 2 2 353.511 0.842 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418594785 489708631 /nfs/dbraw/zinc/70/86/31/489708631.db2.gz NNOJHWVZYHYCTO-CJNGLKHVSA-N 2 2 351.495 0.498 20 0 FCADLP NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000429918133 489709185 /nfs/dbraw/zinc/70/91/85/489709185.db2.gz PFMSRMDKDYPMPR-RYRKJORJSA-N 2 2 369.469 0.962 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000570921399 491273434 /nfs/dbraw/zinc/27/34/34/491273434.db2.gz ZNJPQDAPEUWDBS-YRGVVPAESA-N 2 2 355.523 0.424 20 0 FCADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000418656501 489716386 /nfs/dbraw/zinc/71/63/86/489716386.db2.gz SNCLRAHLZATQOY-WMZOPIPTSA-N 2 2 364.490 0.583 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418689249 489718248 /nfs/dbraw/zinc/71/82/48/489718248.db2.gz FQZIVPHJBDVCGU-JKSUJKDBSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418714176 489719328 /nfs/dbraw/zinc/71/93/28/489719328.db2.gz AJVKKXVFORSUAC-BRWVUGGUSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418748192 489721925 /nfs/dbraw/zinc/72/19/25/489721925.db2.gz KKENCNQTWRELTP-GJZGRUSLSA-N 2 2 351.495 0.513 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489797793 489727879 /nfs/dbraw/zinc/72/78/79/489727879.db2.gz BWJXAVQLBGQURC-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489803261 489728782 /nfs/dbraw/zinc/72/87/82/489728782.db2.gz UHYLTLGPJOCTOU-GDBMZVCRSA-N 2 2 351.495 0.513 20 0 FCADLP C[N@@H+]1CCN(CCC[NH2+]Cc2cn(CC(N)=O)nn2)[C@H](c2ccccc2)C1 ZINC000459370834 489729066 /nfs/dbraw/zinc/72/90/66/489729066.db2.gz RNYPBYUOFJQHSX-SFHVURJKSA-N 2 2 371.489 0.232 20 0 FCADLP C[N@H+]1CCN(CCC[NH2+]Cc2cn(CC(N)=O)nn2)[C@H](c2ccccc2)C1 ZINC000459370834 489729070 /nfs/dbraw/zinc/72/90/70/489729070.db2.gz RNYPBYUOFJQHSX-SFHVURJKSA-N 2 2 371.489 0.232 20 0 FCADLP CS(=O)(=O)c1ccc(OCCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000489912517 489735344 /nfs/dbraw/zinc/73/53/44/489735344.db2.gz WIIDPFNMAPXYRB-MRXNPFEDSA-N 2 2 367.515 0.839 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000555815893 491275001 /nfs/dbraw/zinc/27/50/01/491275001.db2.gz YNDWKGODHLOTQH-UHFFFAOYSA-N 2 2 358.446 0.335 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000555815893 491275002 /nfs/dbraw/zinc/27/50/02/491275002.db2.gz YNDWKGODHLOTQH-UHFFFAOYSA-N 2 2 358.446 0.335 20 0 FCADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489939777 489736905 /nfs/dbraw/zinc/73/69/05/489736905.db2.gz DWGZJZKXZBRDFS-INIZCTEOSA-N 2 2 364.465 0.642 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH+]3CCN([C@H]4CC[NH2+]C4)CC3)C2=O)c1 ZINC000489959831 489737897 /nfs/dbraw/zinc/73/78/97/489737897.db2.gz WFOPMPIEXPBXEE-KXBFYZLASA-N 2 2 374.485 0.789 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCN([C@H]4CC[NH2+]C4)CC3)C2=O)c1 ZINC000489959828 489737952 /nfs/dbraw/zinc/73/79/52/489737952.db2.gz WFOPMPIEXPBXEE-HNAYVOBHSA-N 2 2 374.485 0.789 20 0 FCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430546793 489744556 /nfs/dbraw/zinc/74/45/56/489744556.db2.gz KDGHWOLUWQJHTF-RDJZCZTQSA-N 2 2 357.520 0.662 20 0 FCADLP C[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)CC(C)(C)C[NH3+] ZINC000430556820 489746028 /nfs/dbraw/zinc/74/60/28/489746028.db2.gz ZSFUJSSAJMGTAG-UHFFFAOYSA-N 2 2 352.504 0.949 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)CC(C)(C)C[NH3+] ZINC000430556820 489746031 /nfs/dbraw/zinc/74/60/31/489746031.db2.gz ZSFUJSSAJMGTAG-UHFFFAOYSA-N 2 2 352.504 0.949 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000418836744 489747896 /nfs/dbraw/zinc/74/78/96/489747896.db2.gz QJRUMJFJAUEFHN-AWEZNQCLSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000430576672 489748067 /nfs/dbraw/zinc/74/80/67/489748067.db2.gz WKYYTOGAWNWKRM-IBGZPJMESA-N 2 2 372.513 0.950 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474248775 489748573 /nfs/dbraw/zinc/74/85/73/489748573.db2.gz QKYROWAMEQYJFD-OAHLLOKOSA-N 2 2 358.446 0.721 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000474248775 489748578 /nfs/dbraw/zinc/74/85/78/489748578.db2.gz QKYROWAMEQYJFD-OAHLLOKOSA-N 2 2 358.446 0.721 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430588342 489749178 /nfs/dbraw/zinc/74/91/78/489749178.db2.gz DIJMOVWCLXNUDH-LBPRGKRZSA-N 2 2 368.503 0.528 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430588342 489749182 /nfs/dbraw/zinc/74/91/82/489749182.db2.gz DIJMOVWCLXNUDH-LBPRGKRZSA-N 2 2 368.503 0.528 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000418841749 489751084 /nfs/dbraw/zinc/75/10/84/489751084.db2.gz AOSRNSLSPVARCJ-CABCVRRESA-N 2 2 352.866 0.912 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418840904 489751389 /nfs/dbraw/zinc/75/13/89/489751389.db2.gz YLGJUSIZURKPJJ-RYQLBKOJSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418840904 489751391 /nfs/dbraw/zinc/75/13/91/489751391.db2.gz YLGJUSIZURKPJJ-RYQLBKOJSA-N 2 2 374.485 0.199 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000430606986 489752017 /nfs/dbraw/zinc/75/20/17/489752017.db2.gz AXUPIUZLWSAJPS-ZDUSSCGKSA-N 2 2 364.446 0.394 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000430606986 489752020 /nfs/dbraw/zinc/75/20/20/489752020.db2.gz AXUPIUZLWSAJPS-ZDUSSCGKSA-N 2 2 364.446 0.394 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418844794 489753189 /nfs/dbraw/zinc/75/31/89/489753189.db2.gz NCCPBBFAPWAAAJ-CVEARBPZSA-N 2 2 353.426 0.841 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614372 489753350 /nfs/dbraw/zinc/75/33/50/489753350.db2.gz YVLNQOGVAPXDCM-HOTGVXAUSA-N 2 2 362.474 0.884 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614372 489753354 /nfs/dbraw/zinc/75/33/54/489753354.db2.gz YVLNQOGVAPXDCM-HOTGVXAUSA-N 2 2 362.474 0.884 20 0 FCADLP CC(C)(CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000418846618 489753657 /nfs/dbraw/zinc/75/36/57/489753657.db2.gz YRBLGLRDDPXMJQ-UHFFFAOYSA-N 2 2 362.474 0.201 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000430610627 489753922 /nfs/dbraw/zinc/75/39/22/489753922.db2.gz LPIPHDRGFYDBGD-UHFFFAOYSA-N 2 2 360.502 0.634 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000430610627 489753924 /nfs/dbraw/zinc/75/39/24/489753924.db2.gz LPIPHDRGFYDBGD-UHFFFAOYSA-N 2 2 360.502 0.634 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000376560945 489754166 /nfs/dbraw/zinc/75/41/66/489754166.db2.gz GGZBJCKOGQXWKC-JKSUJKDBSA-N 2 2 352.479 0.356 20 0 FCADLP C[N@H+](CC(=O)NCCCSc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000430616694 489754799 /nfs/dbraw/zinc/75/47/99/489754799.db2.gz GZULQAVCDKLJFG-UHFFFAOYSA-N 2 2 364.515 0.649 20 0 FCADLP C[N@@H+](CC(=O)NCCCSc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000430616694 489754803 /nfs/dbraw/zinc/75/48/03/489754803.db2.gz GZULQAVCDKLJFG-UHFFFAOYSA-N 2 2 364.515 0.649 20 0 FCADLP Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000430619109 489754966 /nfs/dbraw/zinc/75/49/66/489754966.db2.gz ZDYPXALEMLADGJ-MRXNPFEDSA-N 2 2 362.449 0.993 20 0 FCADLP Cc1ccc(F)c(N2CCC[C@@H]([N@@H+](C)CC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000430619109 489754968 /nfs/dbraw/zinc/75/49/68/489754968.db2.gz ZDYPXALEMLADGJ-MRXNPFEDSA-N 2 2 362.449 0.993 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1C ZINC000430618997 489755506 /nfs/dbraw/zinc/75/55/06/489755506.db2.gz YKSHGFFXIUSLSA-CYBMUJFWSA-N 2 2 354.476 0.512 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1C ZINC000430618997 489755510 /nfs/dbraw/zinc/75/55/10/489755510.db2.gz YKSHGFFXIUSLSA-CYBMUJFWSA-N 2 2 354.476 0.512 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000418849284 489755731 /nfs/dbraw/zinc/75/57/31/489755731.db2.gz CYRSJXCPPXKVJJ-HUUCEWRRSA-N 2 2 352.866 0.912 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000418850157 489755868 /nfs/dbraw/zinc/75/58/68/489755868.db2.gz DQRXKCPOIVKLGI-ZENOOKHLSA-N 2 2 364.877 0.737 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430619916 489756517 /nfs/dbraw/zinc/75/65/17/489756517.db2.gz GXKIOCUCCXLFHL-OAHLLOKOSA-N 2 2 364.515 0.948 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430619916 489756518 /nfs/dbraw/zinc/75/65/18/489756518.db2.gz GXKIOCUCCXLFHL-OAHLLOKOSA-N 2 2 364.515 0.948 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)ccc1C ZINC000430628943 489757785 /nfs/dbraw/zinc/75/77/85/489757785.db2.gz PHTUMMMKNYVRLT-UHFFFAOYSA-N 2 2 354.476 0.525 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)ccc1C ZINC000430628943 489757789 /nfs/dbraw/zinc/75/77/89/489757789.db2.gz PHTUMMMKNYVRLT-UHFFFAOYSA-N 2 2 354.476 0.525 20 0 FCADLP Cc1ccc([C@H](NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430626224 489757963 /nfs/dbraw/zinc/75/79/63/489757963.db2.gz LCUFCZVNWIRTKN-FQEVSTJZSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ccc([C@H](NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430626224 489757966 /nfs/dbraw/zinc/75/79/66/489757966.db2.gz LCUFCZVNWIRTKN-FQEVSTJZSA-N 2 2 358.486 0.926 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430626096 489758193 /nfs/dbraw/zinc/75/81/93/489758193.db2.gz QZXJPHDVODCDPE-VXGBXAGGSA-N 2 2 354.476 0.323 20 0 FCADLP C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430631928 489758607 /nfs/dbraw/zinc/75/86/07/489758607.db2.gz WAWMPJHMSWINLP-UHFFFAOYSA-N 2 2 352.866 0.362 20 0 FCADLP C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430631928 489758611 /nfs/dbraw/zinc/75/86/11/489758611.db2.gz WAWMPJHMSWINLP-UHFFFAOYSA-N 2 2 352.866 0.362 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430632906 489759022 /nfs/dbraw/zinc/75/90/22/489759022.db2.gz YWBGHTVJAVASQT-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430632906 489759025 /nfs/dbraw/zinc/75/90/25/489759025.db2.gz YWBGHTVJAVASQT-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430632376 489759440 /nfs/dbraw/zinc/75/94/40/489759440.db2.gz XEBSCLODVRETNF-CQSZACIVSA-N 2 2 352.504 0.884 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430632376 489759445 /nfs/dbraw/zinc/75/94/45/489759445.db2.gz XEBSCLODVRETNF-CQSZACIVSA-N 2 2 352.504 0.884 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000376609108 489759741 /nfs/dbraw/zinc/75/97/41/489759741.db2.gz ACKQNPRGRRFFKJ-WMZOPIPTSA-N 2 2 367.538 0.517 20 0 FCADLP [NH3+]CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000430645160 489761686 /nfs/dbraw/zinc/76/16/86/489761686.db2.gz ZNBVBWCCDSZZLA-UHFFFAOYSA-N 3 2 372.513 0.936 20 0 FCADLP CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000459834515 489763804 /nfs/dbraw/zinc/76/38/04/489763804.db2.gz WGDYYNUFJSHNBD-JKSUJKDBSA-N 2 2 355.479 0.141 20 0 FCADLP CC(C)[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000430689186 489764976 /nfs/dbraw/zinc/76/49/76/489764976.db2.gz BFYSCHFSFVVVSS-GOSISDBHSA-N 2 2 358.486 0.617 20 0 FCADLP CC(C)[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCc2ccccc2C1 ZINC000430689186 489764978 /nfs/dbraw/zinc/76/49/78/489764978.db2.gz BFYSCHFSFVVVSS-GOSISDBHSA-N 2 2 358.486 0.617 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000418874184 489769160 /nfs/dbraw/zinc/76/91/60/489769160.db2.gz ISRJLYYLIKAOFV-WFASDCNBSA-N 2 2 352.866 0.927 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1Cl ZINC000418877906 489771445 /nfs/dbraw/zinc/77/14/45/489771445.db2.gz PXJVTSOWDAVQEB-HNNXBMFYSA-N 2 2 352.866 0.881 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000459864715 489773870 /nfs/dbraw/zinc/77/38/70/489773870.db2.gz NXUVENSALXLKEM-MRXNPFEDSA-N 2 2 374.510 0.865 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000430895045 489775583 /nfs/dbraw/zinc/77/55/83/489775583.db2.gz RQIPYKKHJCTIDB-APWZRJJASA-N 2 2 371.485 0.638 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000430895045 489775587 /nfs/dbraw/zinc/77/55/87/489775587.db2.gz RQIPYKKHJCTIDB-APWZRJJASA-N 2 2 371.485 0.638 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000459871555 489775736 /nfs/dbraw/zinc/77/57/36/489775736.db2.gz SWMYCHVQPXRECG-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000459871555 489775742 /nfs/dbraw/zinc/77/57/42/489775742.db2.gz SWMYCHVQPXRECG-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924614 489777496 /nfs/dbraw/zinc/77/74/96/489777496.db2.gz AWQFMVAJBFYJMU-ZFWWWQNUSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924614 489777501 /nfs/dbraw/zinc/77/75/01/489777501.db2.gz AWQFMVAJBFYJMU-ZFWWWQNUSA-N 2 2 368.503 0.853 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000459875296 489777653 /nfs/dbraw/zinc/77/76/53/489777653.db2.gz ZMIVCHQMFQZARJ-UHFFFAOYSA-N 2 2 361.490 0.978 20 0 FCADLP COCC[N@H+](C)CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000430928197 489778899 /nfs/dbraw/zinc/77/88/99/489778899.db2.gz SVGLAZFPBRIQTO-KRWDZBQOSA-N 2 2 362.474 0.244 20 0 FCADLP COCC[N@@H+](C)CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000430928197 489778903 /nfs/dbraw/zinc/77/89/03/489778903.db2.gz SVGLAZFPBRIQTO-KRWDZBQOSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430933540 489779514 /nfs/dbraw/zinc/77/95/14/489779514.db2.gz IPEFCPDFPJEEBL-VHSXEESVSA-N 2 2 358.364 0.828 20 0 FCADLP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430933540 489779516 /nfs/dbraw/zinc/77/95/16/489779516.db2.gz IPEFCPDFPJEEBL-VHSXEESVSA-N 2 2 358.364 0.828 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000430941712 489779640 /nfs/dbraw/zinc/77/96/40/489779640.db2.gz YJNKFBNPKFGTEG-XEZPLFJOSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000430941712 489779641 /nfs/dbraw/zinc/77/96/41/489779641.db2.gz YJNKFBNPKFGTEG-XEZPLFJOSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000430941710 489779916 /nfs/dbraw/zinc/77/99/16/489779916.db2.gz YJNKFBNPKFGTEG-HEHGZKQESA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000430941710 489779919 /nfs/dbraw/zinc/77/99/19/489779919.db2.gz YJNKFBNPKFGTEG-HEHGZKQESA-N 2 2 350.438 0.788 20 0 FCADLP C[NH2+]C[C@@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430959359 489782262 /nfs/dbraw/zinc/78/22/62/489782262.db2.gz YNKXGGOOPIVGLV-KRWDZBQOSA-N 2 2 360.502 0.676 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430959359 489782267 /nfs/dbraw/zinc/78/22/67/489782267.db2.gz YNKXGGOOPIVGLV-KRWDZBQOSA-N 3 2 360.502 0.676 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430959359 489782273 /nfs/dbraw/zinc/78/22/73/489782273.db2.gz YNKXGGOOPIVGLV-KRWDZBQOSA-N 3 2 360.502 0.676 20 0 FCADLP C[NH2+]C[C@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430959360 489782603 /nfs/dbraw/zinc/78/26/03/489782603.db2.gz YNKXGGOOPIVGLV-QGZVFWFLSA-N 2 2 360.502 0.676 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430959360 489782607 /nfs/dbraw/zinc/78/26/07/489782607.db2.gz YNKXGGOOPIVGLV-QGZVFWFLSA-N 3 2 360.502 0.676 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430959360 489782613 /nfs/dbraw/zinc/78/26/13/489782613.db2.gz YNKXGGOOPIVGLV-QGZVFWFLSA-N 3 2 360.502 0.676 20 0 FCADLP CN(C)c1noc(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000430984428 489784796 /nfs/dbraw/zinc/78/47/96/489784796.db2.gz MNXVEAOBOVFBTB-UHFFFAOYSA-N 2 2 352.483 0.553 20 0 FCADLP CN(C)c1noc(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000430984428 489784800 /nfs/dbraw/zinc/78/48/00/489784800.db2.gz MNXVEAOBOVFBTB-UHFFFAOYSA-N 2 2 352.483 0.553 20 0 FCADLP CN(C)c1nc(N2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)cc[nH+]1 ZINC000431122374 489789836 /nfs/dbraw/zinc/78/98/36/489789836.db2.gz ZPJBKPKNVZQBFD-GFCCVEGCSA-N 2 2 363.384 0.604 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000459916799 489790868 /nfs/dbraw/zinc/79/08/68/489790868.db2.gz ITIHJYZHGYJCMG-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000459916799 489790873 /nfs/dbraw/zinc/79/08/73/489790873.db2.gz ITIHJYZHGYJCMG-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418919162 489790935 /nfs/dbraw/zinc/79/09/35/489790935.db2.gz WUJSMCKJNDTCMM-GOSISDBHSA-N 2 2 374.485 0.475 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000459915472 489791239 /nfs/dbraw/zinc/79/12/39/489791239.db2.gz BLDQGJPRGRDIJF-HNNXBMFYSA-N 2 2 362.478 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000459915472 489791243 /nfs/dbraw/zinc/79/12/43/489791243.db2.gz BLDQGJPRGRDIJF-HNNXBMFYSA-N 2 2 362.478 0.169 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418933462 489794861 /nfs/dbraw/zinc/79/48/61/489794861.db2.gz ASXKISQULISXCE-STQMWFEESA-N 2 2 350.488 0.418 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418933462 489794865 /nfs/dbraw/zinc/79/48/65/489794865.db2.gz ASXKISQULISXCE-STQMWFEESA-N 2 2 350.488 0.418 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418943125 489798105 /nfs/dbraw/zinc/79/81/05/489798105.db2.gz MIVXJRCHMAWUGV-CYBMUJFWSA-N 2 2 350.488 0.338 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418943125 489798110 /nfs/dbraw/zinc/79/81/10/489798110.db2.gz MIVXJRCHMAWUGV-CYBMUJFWSA-N 2 2 350.488 0.338 20 0 FCADLP CN(CCOCC1CC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459990237 489810990 /nfs/dbraw/zinc/81/09/90/489810990.db2.gz LVYAZBVCABBODZ-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CCOCC1CC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459990237 489810994 /nfs/dbraw/zinc/81/09/94/489810994.db2.gz LVYAZBVCABBODZ-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)CC2)c1 ZINC000459999819 489814494 /nfs/dbraw/zinc/81/44/94/489814494.db2.gz BPCVYNLYVXIKIT-KRWDZBQOSA-N 2 2 369.469 0.511 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000376919375 489817906 /nfs/dbraw/zinc/81/79/06/489817906.db2.gz OAZCDYVFWAGLRF-SJLPKXTDSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@H](C)[N@H+]1CCO ZINC000460016375 489819002 /nfs/dbraw/zinc/81/90/02/489819002.db2.gz DMBLFARRUMCGNY-ZNMIVQPWSA-N 2 2 363.462 0.029 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@H](C)[N@@H+]1CCO ZINC000460016375 489819007 /nfs/dbraw/zinc/81/90/07/489819007.db2.gz DMBLFARRUMCGNY-ZNMIVQPWSA-N 2 2 363.462 0.029 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000419029737 489824356 /nfs/dbraw/zinc/82/43/56/489824356.db2.gz RXZOPBZOIUVYIF-TZMCWYRMSA-N 2 2 359.405 0.823 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000419029733 489824589 /nfs/dbraw/zinc/82/45/89/489824589.db2.gz RXZOPBZOIUVYIF-GXTWGEPZSA-N 2 2 359.405 0.823 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000460035289 489826612 /nfs/dbraw/zinc/82/66/12/489826612.db2.gz TWOZOXPBSMGXOW-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419040076 489830193 /nfs/dbraw/zinc/83/01/93/489830193.db2.gz LSIGUJCQHJPJIH-CVEARBPZSA-N 2 2 353.426 0.556 20 0 FCADLP CCn1cc(C[N@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000475492318 489833845 /nfs/dbraw/zinc/83/38/45/489833845.db2.gz KRPHWWUEAWUTMM-UHFFFAOYSA-N 2 2 359.478 0.439 20 0 FCADLP CCn1cc(C[N@@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000475492318 489833847 /nfs/dbraw/zinc/83/38/47/489833847.db2.gz KRPHWWUEAWUTMM-UHFFFAOYSA-N 2 2 359.478 0.439 20 0 FCADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377056060 489844432 /nfs/dbraw/zinc/84/44/32/489844432.db2.gz JEGZFMKBXFXSFS-IRXDYDNUSA-N 2 2 360.506 0.775 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419071797 489845196 /nfs/dbraw/zinc/84/51/96/489845196.db2.gz JBVGLDDJXPVGAA-IUODEOHRSA-N 2 2 359.405 0.585 20 0 FCADLP CN(C)c1noc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000460154342 489853103 /nfs/dbraw/zinc/85/31/03/489853103.db2.gz CFFUCOSWJOHLIS-UHFFFAOYSA-N 2 2 365.482 0.493 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419108902 489857732 /nfs/dbraw/zinc/85/77/32/489857732.db2.gz ACICTOSMHHPJBX-FCLJQHQZSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419110585 489859231 /nfs/dbraw/zinc/85/92/31/489859231.db2.gz CCBODRLESYOKPH-KRWDZBQOSA-N 2 2 366.506 0.276 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419110703 489859270 /nfs/dbraw/zinc/85/92/70/489859270.db2.gz CLQSCGOZCGJGFL-GOEBONIOSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000419115096 489861306 /nfs/dbraw/zinc/86/13/06/489861306.db2.gz JJBLKQRWJSPAML-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000419114482 489861411 /nfs/dbraw/zinc/86/14/11/489861411.db2.gz HXLMEKOSRCYMOT-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1C[NH3+] ZINC000419114981 489861607 /nfs/dbraw/zinc/86/16/07/489861607.db2.gz IPDGRRLNBXUQNY-GDBMZVCRSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419116852 489862581 /nfs/dbraw/zinc/86/25/81/489862581.db2.gz LPHZJQLIUYRRRS-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000476040842 489863929 /nfs/dbraw/zinc/86/39/29/489863929.db2.gz KHCUNGYXDANESK-UHFFFAOYSA-N 2 2 367.538 0.914 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000476040848 489864060 /nfs/dbraw/zinc/86/40/60/489864060.db2.gz LLBFBYAVOZHYLY-UHFFFAOYSA-N 2 2 359.478 0.590 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119901 489864457 /nfs/dbraw/zinc/86/44/57/489864457.db2.gz PRFUWOXNNLOOKK-DLBZAZTESA-N 2 2 368.522 0.355 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000476057168 489864921 /nfs/dbraw/zinc/86/49/21/489864921.db2.gz ZTHQJJBPSCDLHO-INIZCTEOSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000476057168 489864923 /nfs/dbraw/zinc/86/49/23/489864923.db2.gz ZTHQJJBPSCDLHO-INIZCTEOSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120487 489865457 /nfs/dbraw/zinc/86/54/57/489865457.db2.gz QLANYBMBGFXENB-BZUAXINKSA-N 2 2 354.495 0.093 20 0 FCADLP CC(=O)Nc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cn1 ZINC000433081837 489865649 /nfs/dbraw/zinc/86/56/49/489865649.db2.gz HZMKSNIWGYTTII-UHFFFAOYSA-N 2 2 361.490 0.926 20 0 FCADLP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cn1 ZINC000433081837 489865650 /nfs/dbraw/zinc/86/56/50/489865650.db2.gz HZMKSNIWGYTTII-UHFFFAOYSA-N 2 2 361.490 0.926 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@H](C)C[NH2+]1 ZINC000419122432 489866154 /nfs/dbraw/zinc/86/61/54/489866154.db2.gz UBECEJCDMINOES-HUUCEWRRSA-N 2 2 359.474 0.897 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122037 489866182 /nfs/dbraw/zinc/86/61/82/489866182.db2.gz SXRMVSUMSWKQAA-OAGGEKHMSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000419121939 489866494 /nfs/dbraw/zinc/86/64/94/489866494.db2.gz SLSGWECMWROWDG-INIZCTEOSA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000419122790 489867164 /nfs/dbraw/zinc/86/71/64/489867164.db2.gz URKAKQOXHRRKGB-HNNXBMFYSA-N 2 2 354.495 0.237 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419124528 489867789 /nfs/dbraw/zinc/86/77/89/489867789.db2.gz XLWIWQWWSQXGDB-JKSUJKDBSA-N 2 2 354.495 0.093 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494199192 489874366 /nfs/dbraw/zinc/87/43/66/489874366.db2.gz TWXKMGBPKGJPNQ-KRWDZBQOSA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494199192 489874367 /nfs/dbraw/zinc/87/43/67/489874367.db2.gz TWXKMGBPKGJPNQ-KRWDZBQOSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206682 489875105 /nfs/dbraw/zinc/87/51/05/489875105.db2.gz YTFAQYAMTUXKRA-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206682 489875108 /nfs/dbraw/zinc/87/51/08/489875108.db2.gz YTFAQYAMTUXKRA-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420001536 489878654 /nfs/dbraw/zinc/87/86/54/489878654.db2.gz QDKPIMHVNMHYQY-IAGOWNOFSA-N 2 2 373.501 0.793 20 0 FCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)no1 ZINC000433383176 489880481 /nfs/dbraw/zinc/88/04/81/489880481.db2.gz ABYNJGQXEAWRIX-LBPRGKRZSA-N 2 2 361.450 0.917 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000420025943 489884937 /nfs/dbraw/zinc/88/49/37/489884937.db2.gz BVVLVCZFRXWEJD-GXTWGEPZSA-N 2 2 363.462 0.407 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000420055435 489895395 /nfs/dbraw/zinc/89/53/95/489895395.db2.gz GRWMOPSZTBRNSR-QGZVFWFLSA-N 2 2 362.449 0.714 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000420055435 489895399 /nfs/dbraw/zinc/89/53/99/489895399.db2.gz GRWMOPSZTBRNSR-QGZVFWFLSA-N 2 2 362.449 0.714 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000433989797 489908791 /nfs/dbraw/zinc/90/87/91/489908791.db2.gz HLVAAWIHQLELHR-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000420097120 489911296 /nfs/dbraw/zinc/91/12/96/489911296.db2.gz HUXLMQKYRKHVBD-SFHVURJKSA-N 2 2 372.469 0.229 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCOCC1 ZINC000434149573 489914522 /nfs/dbraw/zinc/91/45/22/489914522.db2.gz CTKSERVNWVDMRE-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCOCC1 ZINC000434149573 489914524 /nfs/dbraw/zinc/91/45/24/489914524.db2.gz CTKSERVNWVDMRE-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000420112521 489916637 /nfs/dbraw/zinc/91/66/37/489916637.db2.gz BBDJNOXLLHMHRS-WBVHZDCISA-N 2 2 361.490 0.921 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000420128739 489922381 /nfs/dbraw/zinc/92/23/81/489922381.db2.gz QBTDBYFHVANPGY-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000420128739 489922384 /nfs/dbraw/zinc/92/23/84/489922384.db2.gz QBTDBYFHVANPGY-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420136053 489925828 /nfs/dbraw/zinc/92/58/28/489925828.db2.gz FJFXSFMTBXHTMB-SJLPKXTDSA-N 2 2 358.486 0.753 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)CC1 ZINC000434433095 489927387 /nfs/dbraw/zinc/92/73/87/489927387.db2.gz OLOXHBAFSNUQDH-SFHVURJKSA-N 2 2 365.566 0.639 20 0 FCADLP CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000495261893 489933485 /nfs/dbraw/zinc/93/34/85/489933485.db2.gz LGVQHHVUPNGFAT-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000495261893 489933489 /nfs/dbraw/zinc/93/34/89/489933489.db2.gz LGVQHHVUPNGFAT-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638395 489936365 /nfs/dbraw/zinc/93/63/65/489936365.db2.gz ZJUIXDWEFOBXCF-HIFRSBDPSA-N 2 2 366.535 0.923 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638395 489936366 /nfs/dbraw/zinc/93/63/66/489936366.db2.gz ZJUIXDWEFOBXCF-HIFRSBDPSA-N 2 2 366.535 0.923 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000571170123 491290314 /nfs/dbraw/zinc/29/03/14/491290314.db2.gz QOCZPKOLCVPXCE-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000571170123 491290315 /nfs/dbraw/zinc/29/03/15/491290315.db2.gz QOCZPKOLCVPXCE-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H]1CCC[C@](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000477209785 489950057 /nfs/dbraw/zinc/95/00/57/489950057.db2.gz WJWCRIRNTOONTL-LPHOPBHVSA-N 2 2 368.522 0.404 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420203342 489951376 /nfs/dbraw/zinc/95/13/76/489951376.db2.gz ODZLMTSGSAQGAO-NVXWUHKLSA-N 2 2 374.485 0.583 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2ncn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000420284119 489960858 /nfs/dbraw/zinc/96/08/58/489960858.db2.gz CJQLFLRRTHPNTP-INIZCTEOSA-N 2 2 354.458 0.911 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000420284119 489960863 /nfs/dbraw/zinc/96/08/63/489960863.db2.gz CJQLFLRRTHPNTP-INIZCTEOSA-N 2 2 354.458 0.911 20 0 FCADLP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420299359 489961156 /nfs/dbraw/zinc/96/11/56/489961156.db2.gz AWWORZOZTGMZTK-OAHLLOKOSA-N 2 2 361.442 0.748 20 0 FCADLP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420299359 489961160 /nfs/dbraw/zinc/96/11/60/489961160.db2.gz AWWORZOZTGMZTK-OAHLLOKOSA-N 2 2 361.442 0.748 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477376549 489961267 /nfs/dbraw/zinc/96/12/67/489961267.db2.gz RKPMKSBGQIHXLS-IYBDPMFKSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477376549 489961269 /nfs/dbraw/zinc/96/12/69/489961269.db2.gz RKPMKSBGQIHXLS-IYBDPMFKSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477376549 489961273 /nfs/dbraw/zinc/96/12/73/489961273.db2.gz RKPMKSBGQIHXLS-IYBDPMFKSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477376549 489961275 /nfs/dbraw/zinc/96/12/75/489961275.db2.gz RKPMKSBGQIHXLS-IYBDPMFKSA-N 2 2 356.511 0.448 20 0 FCADLP COC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000434873456 489964260 /nfs/dbraw/zinc/96/42/60/489964260.db2.gz JWAFLBWMKJOTEP-IRXDYDNUSA-N 2 2 356.511 0.848 20 0 FCADLP COC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000434873456 489964264 /nfs/dbraw/zinc/96/42/64/489964264.db2.gz JWAFLBWMKJOTEP-IRXDYDNUSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000556063064 491291628 /nfs/dbraw/zinc/29/16/28/491291628.db2.gz HYQDAURGRXBOLP-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000420346803 489965946 /nfs/dbraw/zinc/96/59/46/489965946.db2.gz ZCXUSXVKYWWMKZ-MJGOQNOKSA-N 2 2 358.486 0.633 20 0 FCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351533 489966382 /nfs/dbraw/zinc/96/63/82/489966382.db2.gz XCQXRHNTGUOYSO-HUUCEWRRSA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351533 489966384 /nfs/dbraw/zinc/96/63/84/489966384.db2.gz XCQXRHNTGUOYSO-HUUCEWRRSA-N 2 2 367.291 0.955 20 0 FCADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420352363 489966470 /nfs/dbraw/zinc/96/64/70/489966470.db2.gz MLEVFDIUQIKBCR-XJKSGUPXSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420352363 489966472 /nfs/dbraw/zinc/96/64/72/489966472.db2.gz MLEVFDIUQIKBCR-XJKSGUPXSA-N 2 2 351.447 0.619 20 0 FCADLP C[C@H]1[C@@H]([NH3+])CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000420352888 489966546 /nfs/dbraw/zinc/96/65/46/489966546.db2.gz MZSSNWYBCXKTFX-YJBOKZPZSA-N 2 2 358.486 0.687 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C[C@H](O)C[NH3+] ZINC000420358749 489967302 /nfs/dbraw/zinc/96/73/02/489967302.db2.gz UVFITINIVKKIDG-MRXNPFEDSA-N 2 2 354.882 0.236 20 0 FCADLP C[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C[C@H](O)C[NH3+] ZINC000420358749 489967305 /nfs/dbraw/zinc/96/73/05/489967305.db2.gz UVFITINIVKKIDG-MRXNPFEDSA-N 2 2 354.882 0.236 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C[C@H](O)C[NH3+] ZINC000420358749 489967307 /nfs/dbraw/zinc/96/73/07/489967307.db2.gz UVFITINIVKKIDG-MRXNPFEDSA-N 2 2 354.882 0.236 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359922 489967841 /nfs/dbraw/zinc/96/78/41/489967841.db2.gz WJPWVARURRJKBV-KDOFPFPSSA-N 2 2 351.447 0.523 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000420359922 489967844 /nfs/dbraw/zinc/96/78/44/489967844.db2.gz WJPWVARURRJKBV-KDOFPFPSSA-N 2 2 351.447 0.523 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373806 489968629 /nfs/dbraw/zinc/96/86/29/489968629.db2.gz NGWMVYBKGMRXKS-IEBWSBKVSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373806 489968633 /nfs/dbraw/zinc/96/86/33/489968633.db2.gz NGWMVYBKGMRXKS-IEBWSBKVSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373806 489968637 /nfs/dbraw/zinc/96/86/37/489968637.db2.gz NGWMVYBKGMRXKS-IEBWSBKVSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373806 489968641 /nfs/dbraw/zinc/96/86/41/489968641.db2.gz NGWMVYBKGMRXKS-IEBWSBKVSA-N 3 2 352.523 0.535 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420374033 489968884 /nfs/dbraw/zinc/96/88/84/489968884.db2.gz RSVUQWBVDHZJIL-QGZVFWFLSA-N 2 2 362.474 0.664 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000420376915 489969884 /nfs/dbraw/zinc/96/98/84/489969884.db2.gz VQJIWKCKQZVTBJ-PEBVRCNWSA-N 2 2 366.487 0.199 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391550 489970331 /nfs/dbraw/zinc/97/03/31/489970331.db2.gz OMFSUQAFHIYGJO-IRXDYDNUSA-N 2 2 351.422 0.775 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391550 489970333 /nfs/dbraw/zinc/97/03/33/489970333.db2.gz OMFSUQAFHIYGJO-IRXDYDNUSA-N 2 2 351.422 0.775 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420405001 489972258 /nfs/dbraw/zinc/97/22/58/489972258.db2.gz MPTOVKJEBNQYQU-KBPBESRZSA-N 2 2 350.438 0.951 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420405001 489972259 /nfs/dbraw/zinc/97/22/59/489972259.db2.gz MPTOVKJEBNQYQU-KBPBESRZSA-N 2 2 350.438 0.951 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886450 489973273 /nfs/dbraw/zinc/97/32/73/489973273.db2.gz CBUGQWFAQJEJDF-LSDHHAIUSA-N 2 2 362.526 0.681 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886450 489973276 /nfs/dbraw/zinc/97/32/76/489973276.db2.gz CBUGQWFAQJEJDF-LSDHHAIUSA-N 2 2 362.526 0.681 20 0 FCADLP COCC[C@@H](COC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000462514975 489979846 /nfs/dbraw/zinc/97/98/46/489979846.db2.gz BTWBTFHNKPYWEO-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[C@@H](COC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000462514975 489979849 /nfs/dbraw/zinc/97/98/49/489979849.db2.gz BTWBTFHNKPYWEO-HOTGVXAUSA-N 2 2 356.511 0.848 20 0 FCADLP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000377983941 489992338 /nfs/dbraw/zinc/99/23/38/489992338.db2.gz KSKVKSHBHMCBGP-UHFFFAOYSA-N 2 2 357.414 0.804 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477845139 489994002 /nfs/dbraw/zinc/99/40/02/489994002.db2.gz NSECNJVNHNMUSI-QAETUUGQSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477845139 489994005 /nfs/dbraw/zinc/99/40/05/489994005.db2.gz NSECNJVNHNMUSI-QAETUUGQSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000477935383 489997301 /nfs/dbraw/zinc/99/73/01/489997301.db2.gz JSYTZZQHEFJOTR-HNAYVOBHSA-N 2 2 350.507 0.920 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000556006690 491288527 /nfs/dbraw/zinc/28/85/27/491288527.db2.gz PDPGXYIOJIWEGL-UHFFFAOYSA-N 2 2 371.441 0.185 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435379650 490000447 /nfs/dbraw/zinc/00/04/47/490000447.db2.gz NBRJTBPSEGDWQB-HNNXBMFYSA-N 2 2 353.488 0.749 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435379650 490000449 /nfs/dbraw/zinc/00/04/49/490000449.db2.gz NBRJTBPSEGDWQB-HNNXBMFYSA-N 2 2 353.488 0.749 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000571150420 491288874 /nfs/dbraw/zinc/28/88/74/491288874.db2.gz GZKOPVXWLYZJDQ-HOTGVXAUSA-N 2 2 352.479 0.004 20 0 FCADLP C[NH+](C)[C@@]1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCSC1 ZINC000463425760 490017200 /nfs/dbraw/zinc/01/72/00/490017200.db2.gz VHKQDOWHDHIMFL-CQSZACIVSA-N 2 2 351.538 0.065 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099234 490019278 /nfs/dbraw/zinc/01/92/78/490019278.db2.gz UCZKMQJTPAKZOC-DGCLKSJQSA-N 2 2 372.457 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099234 490019281 /nfs/dbraw/zinc/01/92/81/490019281.db2.gz UCZKMQJTPAKZOC-DGCLKSJQSA-N 2 2 372.457 0.777 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099233 490019475 /nfs/dbraw/zinc/01/94/75/490019475.db2.gz UCZKMQJTPAKZOC-AAEUAGOBSA-N 2 2 372.457 0.777 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099233 490019478 /nfs/dbraw/zinc/01/94/78/490019478.db2.gz UCZKMQJTPAKZOC-AAEUAGOBSA-N 2 2 372.457 0.777 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000420788845 490023171 /nfs/dbraw/zinc/02/31/71/490023171.db2.gz LLGJETBNGOXHAG-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420788845 490023175 /nfs/dbraw/zinc/02/31/75/490023175.db2.gz LLGJETBNGOXHAG-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000556111523 491295308 /nfs/dbraw/zinc/29/53/08/491295308.db2.gz HZBULJLZWSTGFZ-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000556111523 491295310 /nfs/dbraw/zinc/29/53/10/491295310.db2.gz HZBULJLZWSTGFZ-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823420 490040485 /nfs/dbraw/zinc/04/04/85/490040485.db2.gz LXSNUHUYVZXBNN-HOTGVXAUSA-N 2 2 361.490 0.802 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823420 490040489 /nfs/dbraw/zinc/04/04/89/490040489.db2.gz LXSNUHUYVZXBNN-HOTGVXAUSA-N 2 2 361.490 0.802 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205668 490056161 /nfs/dbraw/zinc/05/61/61/490056161.db2.gz SZYQXCMGOPQSKX-DLBZAZTESA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000421205668 490056164 /nfs/dbraw/zinc/05/61/64/490056164.db2.gz SZYQXCMGOPQSKX-DLBZAZTESA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421200220 490056322 /nfs/dbraw/zinc/05/63/22/490056322.db2.gz LUVRSJFZJUDZFA-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421200220 490056326 /nfs/dbraw/zinc/05/63/26/490056326.db2.gz LUVRSJFZJUDZFA-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@H]3CCC[N@H+]3C[C@H]1C)CCC2 ZINC000564247763 491296642 /nfs/dbraw/zinc/29/66/42/491296642.db2.gz JJSWVEQXEDTMPQ-OWCLPIDISA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@H]3CCC[N@@H+]3C[C@H]1C)CCC2 ZINC000564247763 491296643 /nfs/dbraw/zinc/29/66/43/491296643.db2.gz JJSWVEQXEDTMPQ-OWCLPIDISA-N 2 2 359.474 0.880 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000479103992 490066788 /nfs/dbraw/zinc/06/67/88/490066788.db2.gz XEPHUDYGCGOAKZ-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000479103992 490066790 /nfs/dbraw/zinc/06/67/90/490066790.db2.gz XEPHUDYGCGOAKZ-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479103992 490066793 /nfs/dbraw/zinc/06/67/93/490066793.db2.gz XEPHUDYGCGOAKZ-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479103992 490066798 /nfs/dbraw/zinc/06/67/98/490066798.db2.gz XEPHUDYGCGOAKZ-DZGCQCFKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479191465 490072617 /nfs/dbraw/zinc/07/26/17/490072617.db2.gz SHTIXXBZNINZDD-SUMWQHHRSA-N 2 2 362.449 0.679 20 0 FCADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378532482 490081915 /nfs/dbraw/zinc/08/19/15/490081915.db2.gz YENBUMYBFNKNNS-CABCVRRESA-N 2 2 355.479 0.629 20 0 FCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000564273017 491298013 /nfs/dbraw/zinc/29/80/13/491298013.db2.gz RHKUKIVBVHGMKP-MRXNPFEDSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000564273017 491298014 /nfs/dbraw/zinc/29/80/14/491298014.db2.gz RHKUKIVBVHGMKP-MRXNPFEDSA-N 2 2 361.490 0.893 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000495698903 490090262 /nfs/dbraw/zinc/09/02/62/490090262.db2.gz DEPTUJZARCAFBM-UHFFFAOYSA-N 2 2 360.458 0.023 20 0 FCADLP OC[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)Cc1ccco1 ZINC000532647661 490090812 /nfs/dbraw/zinc/09/08/12/490090812.db2.gz GAELZEFDAPPRAP-KRWDZBQOSA-N 2 2 351.491 0.817 20 0 FCADLP OC[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)Cc1ccco1 ZINC000532647661 490090813 /nfs/dbraw/zinc/09/08/13/490090813.db2.gz GAELZEFDAPPRAP-KRWDZBQOSA-N 2 2 351.491 0.817 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(OCC(N)=O)c1 ZINC000495821078 490095088 /nfs/dbraw/zinc/09/50/88/490095088.db2.gz TYTRNWOXFDXMGK-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(OCC(N)=O)c1 ZINC000495821078 490095091 /nfs/dbraw/zinc/09/50/91/490095091.db2.gz TYTRNWOXFDXMGK-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP O=C(CCNC(=O)NCC[NH+]1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000506490903 490098863 /nfs/dbraw/zinc/09/88/63/490098863.db2.gz UFDIASPFNPEEIG-UHFFFAOYSA-N 2 2 360.462 0.125 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)C2)nn1 ZINC000571299828 491298998 /nfs/dbraw/zinc/29/89/98/491298998.db2.gz ZVIVKWFXAQMVAE-CQSZACIVSA-N 2 2 368.401 0.187 20 0 FCADLP CC(C)N1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000378590738 490106952 /nfs/dbraw/zinc/10/69/52/490106952.db2.gz QTMWPBLIRJCYSG-UHFFFAOYSA-N 2 2 365.522 0.807 20 0 FCADLP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479692261 490115454 /nfs/dbraw/zinc/11/54/54/490115454.db2.gz WSBJHEJGYIUGPK-UHFFFAOYSA-N 2 2 356.492 0.987 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000479790833 490124892 /nfs/dbraw/zinc/12/48/92/490124892.db2.gz AMKCYAPWPXVVGE-HDICACEKSA-N 2 2 356.470 0.690 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000479790833 490124896 /nfs/dbraw/zinc/12/48/96/490124896.db2.gz AMKCYAPWPXVVGE-HDICACEKSA-N 2 2 356.470 0.690 20 0 FCADLP COCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000532914267 490139717 /nfs/dbraw/zinc/13/97/17/490139717.db2.gz DDTGBMOZMGIWIG-UHFFFAOYSA-N 2 2 366.531 0.656 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000564347220 491302120 /nfs/dbraw/zinc/30/21/20/491302120.db2.gz GVGYNVOSRBESIS-ZIAGYGMSSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000564347220 491302122 /nfs/dbraw/zinc/30/21/22/491302122.db2.gz GVGYNVOSRBESIS-ZIAGYGMSSA-N 2 2 359.430 0.195 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465891291 490148389 /nfs/dbraw/zinc/14/83/89/490148389.db2.gz PBDDYRHHEPPTNX-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465891291 490148400 /nfs/dbraw/zinc/14/84/00/490148400.db2.gz PBDDYRHHEPPTNX-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000520615435 490172168 /nfs/dbraw/zinc/17/21/68/490172168.db2.gz XHBGUKPQWZNKGX-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000520615435 490172172 /nfs/dbraw/zinc/17/21/72/490172172.db2.gz XHBGUKPQWZNKGX-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000520615435 490172178 /nfs/dbraw/zinc/17/21/78/490172178.db2.gz XHBGUKPQWZNKGX-INIZCTEOSA-N 2 2 367.538 0.565 20 0 FCADLP CC(C)SCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684454 490178179 /nfs/dbraw/zinc/17/81/79/490178179.db2.gz MVCPPVXONDCYSE-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000404399525 490181016 /nfs/dbraw/zinc/18/10/16/490181016.db2.gz QGOJXULAHXSPLB-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000404399525 490181027 /nfs/dbraw/zinc/18/10/27/490181027.db2.gz QGOJXULAHXSPLB-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP COCCN(C)c1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000480356323 490182263 /nfs/dbraw/zinc/18/22/63/490182263.db2.gz LZTDZBZCNFHFSB-UHFFFAOYSA-N 2 2 363.506 0.806 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000497689799 490195104 /nfs/dbraw/zinc/19/51/04/490195104.db2.gz SPEQYLWWLPCLDO-JKSUJKDBSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000497689799 490195108 /nfs/dbraw/zinc/19/51/08/490195108.db2.gz SPEQYLWWLPCLDO-JKSUJKDBSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000497689799 490195113 /nfs/dbraw/zinc/19/51/13/490195113.db2.gz SPEQYLWWLPCLDO-JKSUJKDBSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000497689799 490195121 /nfs/dbraw/zinc/19/51/21/490195121.db2.gz SPEQYLWWLPCLDO-JKSUJKDBSA-N 2 2 352.479 0.086 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000520834442 490196527 /nfs/dbraw/zinc/19/65/27/490196527.db2.gz BYZAKVCIKJWBOE-UHFFFAOYSA-N 3 2 362.522 0.733 20 0 FCADLP CCC(CC)[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000480496939 490203568 /nfs/dbraw/zinc/20/35/68/490203568.db2.gz UWPPWNAFZNZFSC-MJGOQNOKSA-N 2 2 371.522 0.323 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794647 490212712 /nfs/dbraw/zinc/21/27/12/490212712.db2.gz XIHQXZTWXMUNIN-CPUCHLNUSA-N 2 2 363.506 0.463 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)cc[nH+]1 ZINC000546569167 490219528 /nfs/dbraw/zinc/21/95/28/490219528.db2.gz BJNVOEUAXSMHKO-LJQANCHMSA-N 2 2 355.442 1.194 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)cc[nH+]1 ZINC000546569167 490219532 /nfs/dbraw/zinc/21/95/32/490219532.db2.gz BJNVOEUAXSMHKO-LJQANCHMSA-N 2 2 355.442 1.194 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000556308124 491309053 /nfs/dbraw/zinc/30/90/53/491309053.db2.gz APCHZGDWJBPEBD-CVEARBPZSA-N 2 2 365.478 0.251 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466931803 490228259 /nfs/dbraw/zinc/22/82/59/490228259.db2.gz AAQSTHVKHGXJHS-GOSISDBHSA-N 2 2 373.501 0.902 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466931803 490228263 /nfs/dbraw/zinc/22/82/63/490228263.db2.gz AAQSTHVKHGXJHS-GOSISDBHSA-N 2 2 373.501 0.902 20 0 FCADLP CSC1(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[NH+](C)CC1 ZINC000521129400 490228417 /nfs/dbraw/zinc/22/84/17/490228417.db2.gz STMWWJBPVBOJID-UHFFFAOYSA-N 2 2 364.519 0.994 20 0 FCADLP CSC1(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC[NH+](C)CC1 ZINC000521129400 490228423 /nfs/dbraw/zinc/22/84/23/490228423.db2.gz STMWWJBPVBOJID-UHFFFAOYSA-N 2 2 364.519 0.994 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000556314963 491309546 /nfs/dbraw/zinc/30/95/46/491309546.db2.gz ZEFIQQNKBUFADV-HNNXBMFYSA-N 2 2 366.425 0.949 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cn2)CC1 ZINC000447437743 490236110 /nfs/dbraw/zinc/23/61/10/490236110.db2.gz FGSBITMUWGVXJM-IBGZPJMESA-N 2 2 370.457 0.470 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000422294493 490237312 /nfs/dbraw/zinc/23/73/12/490237312.db2.gz LDQQZNJHMSILLE-JYJNAYRXSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000422294493 490237315 /nfs/dbraw/zinc/23/73/15/490237315.db2.gz LDQQZNJHMSILLE-JYJNAYRXSA-N 2 2 354.495 0.153 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000521267793 490244566 /nfs/dbraw/zinc/24/45/66/490244566.db2.gz ZORVAIFUJIGNHQ-RPVQJOFSSA-N 2 2 371.428 0.765 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000521267793 490244576 /nfs/dbraw/zinc/24/45/76/490244576.db2.gz ZORVAIFUJIGNHQ-RPVQJOFSSA-N 2 2 371.428 0.765 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000533570468 490259168 /nfs/dbraw/zinc/25/91/68/490259168.db2.gz QPIZRYDRLYUSBX-MRXNPFEDSA-N 2 2 355.527 0.232 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000533570468 490259180 /nfs/dbraw/zinc/25/91/80/490259180.db2.gz QPIZRYDRLYUSBX-MRXNPFEDSA-N 2 2 355.527 0.232 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000498199775 490269186 /nfs/dbraw/zinc/26/91/86/490269186.db2.gz DJUGSUNGHAPUPK-DZGCQCFKSA-N 2 2 357.401 0.553 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)[C@@H](C[NH3+])C1 ZINC000571532926 491313838 /nfs/dbraw/zinc/31/38/38/491313838.db2.gz PTNKXUOCKLJLNW-AWEZNQCLSA-N 2 2 374.445 0.771 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)[C@@H](C[NH3+])C1 ZINC000571532926 491313839 /nfs/dbraw/zinc/31/38/39/491313839.db2.gz PTNKXUOCKLJLNW-AWEZNQCLSA-N 2 2 374.445 0.771 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000447901556 490284436 /nfs/dbraw/zinc/28/44/36/490284436.db2.gz CHIOXGLCRBRAOZ-JKSUJKDBSA-N 2 2 353.488 0.522 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181495 490290887 /nfs/dbraw/zinc/29/08/87/490290887.db2.gz JTPRJNCNKKHZSX-GDBMZVCRSA-N 2 2 355.442 0.988 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181495 490290892 /nfs/dbraw/zinc/29/08/92/490290892.db2.gz JTPRJNCNKKHZSX-GDBMZVCRSA-N 2 2 355.442 0.988 20 0 FCADLP CNC(=O)c1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000533982423 490307230 /nfs/dbraw/zinc/30/72/30/490307230.db2.gz RKAIHAAXNXFRAV-UHFFFAOYSA-N 2 2 361.490 0.871 20 0 FCADLP C[C@H]1CC[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470297 490341310 /nfs/dbraw/zinc/34/13/10/490341310.db2.gz AYPPASSMINKPPW-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1CC[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470297 490341315 /nfs/dbraw/zinc/34/13/15/490341315.db2.gz AYPPASSMINKPPW-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483753296 490342821 /nfs/dbraw/zinc/34/28/21/490342821.db2.gz YZTOFMPXPUEWAM-KRWDZBQOSA-N 2 2 369.554 0.765 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCS1 ZINC000498837566 490348715 /nfs/dbraw/zinc/34/87/15/490348715.db2.gz SFXUBMKAGFHBMU-HNNXBMFYSA-N 2 2 356.536 0.483 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCS1 ZINC000498837566 490348718 /nfs/dbraw/zinc/34/87/18/490348718.db2.gz SFXUBMKAGFHBMU-HNNXBMFYSA-N 2 2 356.536 0.483 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485079 490350873 /nfs/dbraw/zinc/35/08/73/490350873.db2.gz DPACUUZGGQDENL-WBVHZDCISA-N 2 2 360.458 0.909 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485079 490350878 /nfs/dbraw/zinc/35/08/78/490350878.db2.gz DPACUUZGGQDENL-WBVHZDCISA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498893531 490361625 /nfs/dbraw/zinc/36/16/25/490361625.db2.gz RQNBRRXVDPVMFP-CALCHBBNSA-N 2 2 361.552 0.996 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498893531 490361632 /nfs/dbraw/zinc/36/16/32/490361632.db2.gz RQNBRRXVDPVMFP-CALCHBBNSA-N 2 2 361.552 0.996 20 0 FCADLP CNC(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000522308446 490368304 /nfs/dbraw/zinc/36/83/04/490368304.db2.gz ODCICNNNAUSTJU-HNNXBMFYSA-N 2 2 365.522 0.713 20 0 FCADLP CNC(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000522308447 490369043 /nfs/dbraw/zinc/36/90/43/490369043.db2.gz ODCICNNNAUSTJU-OAHLLOKOSA-N 2 2 365.522 0.713 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1C ZINC000498966765 490374231 /nfs/dbraw/zinc/37/42/31/490374231.db2.gz FKOMTHUODDTRIO-ROUUACIJSA-N 2 2 369.554 0.501 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1C ZINC000498966765 490374234 /nfs/dbraw/zinc/37/42/34/490374234.db2.gz FKOMTHUODDTRIO-ROUUACIJSA-N 2 2 369.554 0.501 20 0 FCADLP COc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(Cl)cc1C(N)=O ZINC000564715669 491321741 /nfs/dbraw/zinc/32/17/41/491321741.db2.gz YTUVNEBEZYJBGL-JTQLQIEISA-N 2 2 355.826 0.554 20 0 FCADLP COc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(Cl)cc1C(N)=O ZINC000564715669 491321744 /nfs/dbraw/zinc/32/17/44/491321744.db2.gz YTUVNEBEZYJBGL-JTQLQIEISA-N 2 2 355.826 0.554 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000571669659 491322271 /nfs/dbraw/zinc/32/22/71/491322271.db2.gz LGZKGOTUAZIKIU-OIISXLGYSA-N 2 2 357.458 0.107 20 0 FCADLP O[C@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)Cn1cccn1 ZINC000564722874 491322582 /nfs/dbraw/zinc/32/25/82/491322582.db2.gz WJSDEMLIICPFLV-GOSISDBHSA-N 2 2 360.458 0.745 20 0 FCADLP COC(=O)Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nn1 ZINC000449015961 490399007 /nfs/dbraw/zinc/39/90/07/490399007.db2.gz GOSRGQLEWJTLSB-UHFFFAOYSA-N 2 2 351.451 0.385 20 0 FCADLP COC(=O)Cn1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nn1 ZINC000449020937 490399171 /nfs/dbraw/zinc/39/91/71/490399171.db2.gz RFBCHELJOVXREA-HUUCEWRRSA-N 2 2 365.478 0.772 20 0 FCADLP COC(=O)COC[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000449104403 490400089 /nfs/dbraw/zinc/40/00/89/490400089.db2.gz FLPPZFWDEMEOOD-HNNXBMFYSA-N 2 2 364.446 0.288 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCN2C1=O ZINC000564739800 491324043 /nfs/dbraw/zinc/32/40/43/491324043.db2.gz HCEKSUWCSFHQLD-GJZGRUSLSA-N 2 2 358.446 0.135 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557382225 491371792 /nfs/dbraw/zinc/37/17/92/491371792.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 3 2 369.554 0.317 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557382225 491371793 /nfs/dbraw/zinc/37/17/93/491371793.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 3 2 369.554 0.317 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000557382225 491371795 /nfs/dbraw/zinc/37/17/95/491371795.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 3 2 369.554 0.317 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000557382225 491371797 /nfs/dbraw/zinc/37/17/97/491371797.db2.gz WYUZPWARPVSHMY-INIZCTEOSA-N 3 2 369.554 0.317 20 0 FCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422631163 490434540 /nfs/dbraw/zinc/43/45/40/490434540.db2.gz FCYSPYRGDSHZAF-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422631163 490434545 /nfs/dbraw/zinc/43/45/45/490434545.db2.gz FCYSPYRGDSHZAF-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097782 490456315 /nfs/dbraw/zinc/45/63/15/490456315.db2.gz YFNBQJMJSNAZIP-HOTGVXAUSA-N 2 2 359.536 0.827 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097782 490456321 /nfs/dbraw/zinc/45/63/21/490456321.db2.gz YFNBQJMJSNAZIP-HOTGVXAUSA-N 2 2 359.536 0.827 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000535182223 490463596 /nfs/dbraw/zinc/46/35/96/490463596.db2.gz PKCXDDOXJMXSMQ-GJZGRUSLSA-N 2 2 362.478 0.506 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000535182223 490463605 /nfs/dbraw/zinc/46/36/05/490463605.db2.gz PKCXDDOXJMXSMQ-GJZGRUSLSA-N 2 2 362.478 0.506 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714586 490463614 /nfs/dbraw/zinc/46/36/14/490463614.db2.gz LDHSXUOMQFSXBH-QZTJIDSGSA-N 3 2 362.522 0.735 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000564827764 491328913 /nfs/dbraw/zinc/32/89/13/491328913.db2.gz BZRBEVGIGAZSKT-RHSMWYFYSA-N 2 2 352.504 0.781 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484934127 490480265 /nfs/dbraw/zinc/48/02/65/490480265.db2.gz HLONFWHYQYSSQR-BFHYXJOUSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484934127 490480275 /nfs/dbraw/zinc/48/02/75/490480275.db2.gz HLONFWHYQYSSQR-BFHYXJOUSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422832406 490483288 /nfs/dbraw/zinc/48/32/88/490483288.db2.gz UXTURNPCFZDMOX-GJZGRUSLSA-N 2 2 352.479 0.988 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996971 490489390 /nfs/dbraw/zinc/48/93/90/490489390.db2.gz QTNDGKPUZPHAMP-KBPBESRZSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996971 490489395 /nfs/dbraw/zinc/48/93/95/490489395.db2.gz QTNDGKPUZPHAMP-KBPBESRZSA-N 2 2 368.503 0.853 20 0 FCADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)NC(=O)NCc1ccccc1 ZINC000500292122 490500017 /nfs/dbraw/zinc/50/00/17/490500017.db2.gz SDEGZPLHHMKXRQ-UHFFFAOYSA-N 2 2 370.457 0.943 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000422985479 490511411 /nfs/dbraw/zinc/51/14/11/490511411.db2.gz DZQCKQWGBYNCGE-UHFFFAOYSA-N 2 2 371.485 0.721 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCSC1 ZINC000535717277 490515795 /nfs/dbraw/zinc/51/57/95/490515795.db2.gz NIAWSLVSTVAXLJ-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCSC1 ZINC000535717277 490515800 /nfs/dbraw/zinc/51/58/00/490515800.db2.gz NIAWSLVSTVAXLJ-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423009468 490517058 /nfs/dbraw/zinc/51/70/58/490517058.db2.gz CXQLRHXHNKEWRZ-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423012706 490519624 /nfs/dbraw/zinc/51/96/24/490519624.db2.gz DPANFMAKHJVIAL-CABCVRRESA-N 2 2 364.515 0.978 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423016004 490519675 /nfs/dbraw/zinc/51/96/75/490519675.db2.gz SCFYFGVXQJIQOE-SFHVURJKSA-N 2 2 374.485 0.215 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000423046533 490529880 /nfs/dbraw/zinc/52/98/80/490529880.db2.gz FNFQEHCJGFURHN-UHFFFAOYSA-N 2 2 360.458 0.161 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000423046533 490529885 /nfs/dbraw/zinc/52/98/85/490529885.db2.gz FNFQEHCJGFURHN-UHFFFAOYSA-N 2 2 360.458 0.161 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849846 490538405 /nfs/dbraw/zinc/53/84/05/490538405.db2.gz UZIUIVPDUDKGDO-HOTGVXAUSA-N 2 2 374.551 0.331 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849846 490538410 /nfs/dbraw/zinc/53/84/10/490538410.db2.gz UZIUIVPDUDKGDO-HOTGVXAUSA-N 2 2 374.551 0.331 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500760844 490549647 /nfs/dbraw/zinc/54/96/47/490549647.db2.gz ACJHMXDDZMIHEX-GJZGRUSLSA-N 2 2 368.522 0.591 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000500799877 490553997 /nfs/dbraw/zinc/55/39/97/490553997.db2.gz HUQWVRVPJIQGKR-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP O=C1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@@H]2CCCCN12 ZINC000511017338 490555224 /nfs/dbraw/zinc/55/52/24/490555224.db2.gz ZJXWHIXJKUHQCG-ROUUACIJSA-N 2 2 350.507 0.526 20 0 FCADLP O=C1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@@H]2CCCCN12 ZINC000511017338 490555231 /nfs/dbraw/zinc/55/52/31/490555231.db2.gz ZJXWHIXJKUHQCG-ROUUACIJSA-N 2 2 350.507 0.526 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)ccc2n1C ZINC000524767092 490556832 /nfs/dbraw/zinc/55/68/32/490556832.db2.gz SIJQEJMCZUVHQQ-AWEZNQCLSA-N 2 2 358.446 0.182 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)ccc2n1C ZINC000524767092 490556837 /nfs/dbraw/zinc/55/68/37/490556837.db2.gz SIJQEJMCZUVHQQ-AWEZNQCLSA-N 2 2 358.446 0.182 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485783786 490557871 /nfs/dbraw/zinc/55/78/71/490557871.db2.gz ITVUSUFRDHOYAA-OAHLLOKOSA-N 2 2 371.445 0.364 20 0 FCADLP COC(=O)[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]1C(=O)OC ZINC000501012764 490568691 /nfs/dbraw/zinc/56/86/91/490568691.db2.gz XNCIYNUMIBFEEU-IRXDYDNUSA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]1C(=O)OC ZINC000501012764 490568697 /nfs/dbraw/zinc/56/86/97/490568697.db2.gz XNCIYNUMIBFEEU-IRXDYDNUSA-N 2 2 369.506 0.829 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1C[NH2+]C1 ZINC000564918495 491336447 /nfs/dbraw/zinc/33/64/47/491336447.db2.gz VHGDURJNVSLAHT-GOEBONIOSA-N 2 2 374.489 0.254 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1C[NH2+]C1 ZINC000564918495 491336451 /nfs/dbraw/zinc/33/64/51/491336451.db2.gz VHGDURJNVSLAHT-GOEBONIOSA-N 2 2 374.489 0.254 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000571902103 491336504 /nfs/dbraw/zinc/33/65/04/491336504.db2.gz IWUBMOOPVIQNLM-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000571902103 491336507 /nfs/dbraw/zinc/33/65/07/491336507.db2.gz IWUBMOOPVIQNLM-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000571901886 491336629 /nfs/dbraw/zinc/33/66/29/491336629.db2.gz JLWSQKJQEVFFFQ-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP Cc1cccc2nc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)cc(=O)n12 ZINC000501054917 490574650 /nfs/dbraw/zinc/57/46/50/490574650.db2.gz RAJSJISXIYZFEI-UHFFFAOYSA-N 2 2 372.469 0.662 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CC2)cn1 ZINC000564922059 491336968 /nfs/dbraw/zinc/33/69/68/491336968.db2.gz NHPUNAAEGAIRAZ-FQEVSTJZSA-N 2 2 353.470 0.996 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051617 490587648 /nfs/dbraw/zinc/58/76/48/490587648.db2.gz HSIMXKWTBNOMGF-JKSUJKDBSA-N 2 2 359.474 0.434 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051617 490587657 /nfs/dbraw/zinc/58/76/57/490587657.db2.gz HSIMXKWTBNOMGF-JKSUJKDBSA-N 2 2 359.474 0.434 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000486254604 490601151 /nfs/dbraw/zinc/60/11/51/490601151.db2.gz VAQQJRZIMGESTR-MRXNPFEDSA-N 2 2 365.478 0.274 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573516 490604115 /nfs/dbraw/zinc/60/41/15/490604115.db2.gz LMAJTFNFDPWVMH-APWZRJJASA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573516 490604118 /nfs/dbraw/zinc/60/41/18/490604118.db2.gz LMAJTFNFDPWVMH-APWZRJJASA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501496199 490608017 /nfs/dbraw/zinc/60/80/17/490608017.db2.gz LYVCOINXCPODRB-UONOGXRCSA-N 2 2 363.549 0.001 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501496199 490608019 /nfs/dbraw/zinc/60/80/19/490608019.db2.gz LYVCOINXCPODRB-UONOGXRCSA-N 2 2 363.549 0.001 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000536871307 490618461 /nfs/dbraw/zinc/61/84/61/490618461.db2.gz OSPJDQCFOKYWOC-YDHLFZDLSA-N 2 2 368.503 0.994 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000536871307 490618466 /nfs/dbraw/zinc/61/84/66/490618466.db2.gz OSPJDQCFOKYWOC-YDHLFZDLSA-N 2 2 368.503 0.994 20 0 FCADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486442809 490626385 /nfs/dbraw/zinc/62/63/85/490626385.db2.gz QAIMEUCAJLMXDR-FUHWJXTLSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486442809 490626389 /nfs/dbraw/zinc/62/63/89/490626389.db2.gz QAIMEUCAJLMXDR-FUHWJXTLSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486442807 490626801 /nfs/dbraw/zinc/62/68/01/490626801.db2.gz QAIMEUCAJLMXDR-AEFFLSMTSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486442807 490626805 /nfs/dbraw/zinc/62/68/05/490626805.db2.gz QAIMEUCAJLMXDR-AEFFLSMTSA-N 2 2 358.486 0.630 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486442443 490627020 /nfs/dbraw/zinc/62/70/20/490627020.db2.gz OTNLHDZIZGGESH-INIZCTEOSA-N 2 2 373.457 0.010 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486442443 490627026 /nfs/dbraw/zinc/62/70/26/490627026.db2.gz OTNLHDZIZGGESH-INIZCTEOSA-N 2 2 373.457 0.010 20 0 FCADLP O=C1[C@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448210 490627983 /nfs/dbraw/zinc/62/79/83/490627983.db2.gz QNHXDBBLULEEAE-RHSMWYFYSA-N 2 2 360.433 0.827 20 0 FCADLP O=C1[C@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448210 490627986 /nfs/dbraw/zinc/62/79/86/490627986.db2.gz QNHXDBBLULEEAE-RHSMWYFYSA-N 2 2 360.433 0.827 20 0 FCADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448406 490628962 /nfs/dbraw/zinc/62/89/62/490628962.db2.gz HLDIXRPFAJPQCP-DOTOQJQBSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448406 490628966 /nfs/dbraw/zinc/62/89/66/490628966.db2.gz HLDIXRPFAJPQCP-DOTOQJQBSA-N 2 2 356.470 0.860 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000486452178 490629066 /nfs/dbraw/zinc/62/90/66/490629066.db2.gz PABJCDQIEBUNRO-IGDKPHCXSA-N 2 2 374.529 0.968 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000486452178 490629071 /nfs/dbraw/zinc/62/90/71/490629071.db2.gz PABJCDQIEBUNRO-IGDKPHCXSA-N 2 2 374.529 0.968 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000486453358 490629168 /nfs/dbraw/zinc/62/91/68/490629168.db2.gz FLZKAVULMWBILD-IXDOHACOSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000486453358 490629171 /nfs/dbraw/zinc/62/91/71/490629171.db2.gz FLZKAVULMWBILD-IXDOHACOSA-N 2 2 364.490 0.053 20 0 FCADLP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449291 490629212 /nfs/dbraw/zinc/62/92/12/490629212.db2.gz INHOPEBIBJKUAP-OCCSQVGLSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449291 490629217 /nfs/dbraw/zinc/62/92/17/490629217.db2.gz INHOPEBIBJKUAP-OCCSQVGLSA-N 2 2 365.503 0.983 20 0 FCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459159 490631557 /nfs/dbraw/zinc/63/15/57/490631557.db2.gz KAZWSWDZVDOSHL-YVSFHVDLSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459159 490631563 /nfs/dbraw/zinc/63/15/63/490631563.db2.gz KAZWSWDZVDOSHL-YVSFHVDLSA-N 2 2 350.507 0.776 20 0 FCADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486460379 490633592 /nfs/dbraw/zinc/63/35/92/490633592.db2.gz MTAARGIFVJXJBI-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486460379 490633595 /nfs/dbraw/zinc/63/35/95/490633595.db2.gz MTAARGIFVJXJBI-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000486460717 490633753 /nfs/dbraw/zinc/63/37/53/490633753.db2.gz AZYYKPQECICMFQ-MRXNPFEDSA-N 2 2 365.499 0.747 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000486460717 490633758 /nfs/dbraw/zinc/63/37/58/490633758.db2.gz AZYYKPQECICMFQ-MRXNPFEDSA-N 2 2 365.499 0.747 20 0 FCADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)nc12 ZINC000486464629 490634576 /nfs/dbraw/zinc/63/45/76/490634576.db2.gz GLEJUYGHWCOEKY-INIZCTEOSA-N 2 2 355.442 0.399 20 0 FCADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)nc12 ZINC000486464629 490634582 /nfs/dbraw/zinc/63/45/82/490634582.db2.gz GLEJUYGHWCOEKY-INIZCTEOSA-N 2 2 355.442 0.399 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021034 490639008 /nfs/dbraw/zinc/63/90/08/490639008.db2.gz ZGFFZBRHHJBCNT-HZPDHXFCSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021034 490639012 /nfs/dbraw/zinc/63/90/12/490639012.db2.gz ZGFFZBRHHJBCNT-HZPDHXFCSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000537021034 490639017 /nfs/dbraw/zinc/63/90/17/490639017.db2.gz ZGFFZBRHHJBCNT-HZPDHXFCSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537021034 490639023 /nfs/dbraw/zinc/63/90/23/490639023.db2.gz ZGFFZBRHHJBCNT-HZPDHXFCSA-N 2 2 367.538 0.057 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+]CCS(=O)(=O)N2CCSCC2)s1 ZINC000512053629 490654308 /nfs/dbraw/zinc/65/43/08/490654308.db2.gz SBHBIDPECXBRJM-UHFFFAOYSA-N 2 2 364.562 0.673 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000550294367 490656307 /nfs/dbraw/zinc/65/63/07/490656307.db2.gz FZARPQXQZFFUPG-HUUCEWRRSA-N 2 2 357.458 0.934 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1C ZINC000550294367 490656311 /nfs/dbraw/zinc/65/63/11/490656311.db2.gz FZARPQXQZFFUPG-HUUCEWRRSA-N 2 2 357.458 0.934 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)C(=O)NCCn2cc[nH+]c2)[NH+]2CCCC2)o1 ZINC000550422503 490667506 /nfs/dbraw/zinc/66/75/06/490667506.db2.gz MAZKFXQAJXLYSM-OAHLLOKOSA-N 2 2 359.430 0.854 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000486887891 490678761 /nfs/dbraw/zinc/67/87/61/490678761.db2.gz PGXMVDUUOPSEEZ-CQSZACIVSA-N 2 2 355.527 0.957 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000512881441 490702930 /nfs/dbraw/zinc/70/29/30/490702930.db2.gz KZNDRROVEWPREO-BFYDXBDKSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000512881441 490702932 /nfs/dbraw/zinc/70/29/32/490702932.db2.gz KZNDRROVEWPREO-BFYDXBDKSA-N 2 2 354.495 0.058 20 0 FCADLP CN(CCC[N@H+](C)C1CC[NH+](CCO)CC1)C1CC[NH+](CCO)CC1 ZINC000487452491 490714018 /nfs/dbraw/zinc/71/40/18/490714018.db2.gz XWVAFRLMKFKRSZ-UHFFFAOYSA-N 3 2 356.555 0.154 20 0 FCADLP CN(CCC[N@@H+](C)C1CC[NH+](CCO)CC1)C1CC[NH+](CCO)CC1 ZINC000487452491 490714021 /nfs/dbraw/zinc/71/40/21/490714021.db2.gz XWVAFRLMKFKRSZ-UHFFFAOYSA-N 3 2 356.555 0.154 20 0 FCADLP COC(=O)C1CC[NH+](CCCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000513207268 490714904 /nfs/dbraw/zinc/71/49/04/490714904.db2.gz WVNUEEQSCRBVQG-UHFFFAOYSA-N 2 2 355.479 0.489 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000513566969 490738969 /nfs/dbraw/zinc/73/89/69/490738969.db2.gz CTDZPJSHXLMTIO-UHFFFAOYSA-N 2 2 351.495 0.454 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000513566969 490738974 /nfs/dbraw/zinc/73/89/74/490738974.db2.gz CTDZPJSHXLMTIO-UHFFFAOYSA-N 2 2 351.495 0.454 20 0 FCADLP CO[C@H]1C[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1OC ZINC000487994159 490741251 /nfs/dbraw/zinc/74/12/51/490741251.db2.gz YAICLISPPZSIBA-HOTGVXAUSA-N 2 2 353.488 0.738 20 0 FCADLP COC(=O)C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000538752857 490747519 /nfs/dbraw/zinc/74/75/19/490747519.db2.gz RFCYXGXXNVRCOT-UHFFFAOYSA-N 2 2 363.462 0.382 20 0 FCADLP COC(=O)C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000538752857 490747520 /nfs/dbraw/zinc/74/75/20/490747520.db2.gz RFCYXGXXNVRCOT-UHFFFAOYSA-N 2 2 363.462 0.382 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000557100301 491352996 /nfs/dbraw/zinc/35/29/96/491352996.db2.gz JCBGREWGXUNTNU-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000557100301 491352998 /nfs/dbraw/zinc/35/29/98/491352998.db2.gz JCBGREWGXUNTNU-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000514087489 490761928 /nfs/dbraw/zinc/76/19/28/490761928.db2.gz BUAQOOMXDCSFOE-UHFFFAOYSA-N 2 2 354.401 0.999 20 0 FCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000514087489 490761932 /nfs/dbraw/zinc/76/19/32/490761932.db2.gz BUAQOOMXDCSFOE-UHFFFAOYSA-N 2 2 354.401 0.999 20 0 FCADLP COCCCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000539145857 490764806 /nfs/dbraw/zinc/76/48/06/490764806.db2.gz COHKACCLJKQGHY-IRXDYDNUSA-N 2 2 371.522 0.729 20 0 FCADLP C[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000503588219 490764989 /nfs/dbraw/zinc/76/49/89/490764989.db2.gz FGMFGYKTXVCOOS-UHFFFAOYSA-N 2 2 360.502 0.554 20 0 FCADLP C[N@@H+](CC(=O)NCCN1CCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000503588219 490764992 /nfs/dbraw/zinc/76/49/92/490764992.db2.gz FGMFGYKTXVCOOS-UHFFFAOYSA-N 2 2 360.502 0.554 20 0 FCADLP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000503622999 490767460 /nfs/dbraw/zinc/76/74/60/490767460.db2.gz WZWJYSQPWOKWPO-UHFFFAOYSA-N 2 2 362.499 0.996 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000514876288 490794786 /nfs/dbraw/zinc/79/47/86/490794786.db2.gz FHNHIIRYAURIHL-HRCADAONSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000514876288 490794788 /nfs/dbraw/zinc/79/47/88/490794788.db2.gz FHNHIIRYAURIHL-HRCADAONSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000514876287 490795084 /nfs/dbraw/zinc/79/50/84/490795084.db2.gz FHNHIIRYAURIHL-BZUAXINKSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000514876287 490795086 /nfs/dbraw/zinc/79/50/86/490795086.db2.gz FHNHIIRYAURIHL-BZUAXINKSA-N 2 2 368.522 0.591 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000557152815 491356776 /nfs/dbraw/zinc/35/67/76/491356776.db2.gz MVSGVVCEFAYFLC-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000557152815 491356779 /nfs/dbraw/zinc/35/67/79/491356779.db2.gz MVSGVVCEFAYFLC-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000557152815 491356782 /nfs/dbraw/zinc/35/67/82/491356782.db2.gz MVSGVVCEFAYFLC-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000557152815 491356784 /nfs/dbraw/zinc/35/67/84/491356784.db2.gz MVSGVVCEFAYFLC-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP COCCOc1cc(C)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515047976 490805356 /nfs/dbraw/zinc/80/53/56/490805356.db2.gz ZNZOYIALVVEACJ-MRXNPFEDSA-N 2 2 350.463 0.805 20 0 FCADLP COCCOc1cc(C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515047976 490805358 /nfs/dbraw/zinc/80/53/58/490805358.db2.gz ZNZOYIALVVEACJ-MRXNPFEDSA-N 2 2 350.463 0.805 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000504623691 490807348 /nfs/dbraw/zinc/80/73/48/490807348.db2.gz YXNJNKNWPYDFNF-KRWDZBQOSA-N 2 2 374.551 0.462 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000504623691 490807349 /nfs/dbraw/zinc/80/73/49/490807349.db2.gz YXNJNKNWPYDFNF-KRWDZBQOSA-N 2 2 374.551 0.462 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171580 490811053 /nfs/dbraw/zinc/81/10/53/490811053.db2.gz RQKHTMPWLGHRPH-DZGCQCFKSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171580 490811056 /nfs/dbraw/zinc/81/10/56/490811056.db2.gz RQKHTMPWLGHRPH-DZGCQCFKSA-N 2 2 366.849 0.079 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000528682035 490818915 /nfs/dbraw/zinc/81/89/15/490818915.db2.gz VRAKCTJVYVTHDW-INIZCTEOSA-N 2 2 350.467 0.677 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)ccn2)CC1 ZINC000528686277 490819378 /nfs/dbraw/zinc/81/93/78/490819378.db2.gz PQLHDAVCBJSIRM-MRXNPFEDSA-N 2 2 372.473 0.875 20 0 FCADLP CCOC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528721672 490822086 /nfs/dbraw/zinc/82/20/86/490822086.db2.gz OFGOPHQYZWQCQV-KRWDZBQOSA-N 2 2 362.474 0.858 20 0 FCADLP CCOC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000528721672 490822089 /nfs/dbraw/zinc/82/20/89/490822089.db2.gz OFGOPHQYZWQCQV-KRWDZBQOSA-N 2 2 362.474 0.858 20 0 FCADLP CC[NH2+]CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000515375875 490822418 /nfs/dbraw/zinc/82/24/18/490822418.db2.gz YAQFOZRODFHEJL-INIZCTEOSA-N 2 2 353.511 0.714 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515413109 490824982 /nfs/dbraw/zinc/82/49/82/490824982.db2.gz HXCSJPBSKTVNEY-JKSUJKDBSA-N 2 2 362.499 0.603 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000515433792 490826500 /nfs/dbraw/zinc/82/65/00/490826500.db2.gz ACZZPTVHOLARHB-FUHWJXTLSA-N 2 2 374.485 0.376 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000515433792 490826503 /nfs/dbraw/zinc/82/65/03/490826503.db2.gz ACZZPTVHOLARHB-FUHWJXTLSA-N 2 2 374.485 0.376 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565188815 491358738 /nfs/dbraw/zinc/35/87/38/491358738.db2.gz ODYOULNXDNYQMS-CQSZACIVSA-N 2 2 362.430 0.742 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619370 490833723 /nfs/dbraw/zinc/83/37/23/490833723.db2.gz ZDPIWWJFCADMCK-IEBWSBKVSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619370 490833727 /nfs/dbraw/zinc/83/37/27/490833727.db2.gz ZDPIWWJFCADMCK-IEBWSBKVSA-N 3 2 374.533 0.481 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000505726926 490838056 /nfs/dbraw/zinc/83/80/56/490838056.db2.gz VQRRUOZEUKXEGF-CVEARBPZSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000505726926 490838058 /nfs/dbraw/zinc/83/80/58/490838058.db2.gz VQRRUOZEUKXEGF-CVEARBPZSA-N 2 2 359.536 0.686 20 0 FCADLP CCc1cc(N2CCC[C@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2)ncn1 ZINC000515811112 490839461 /nfs/dbraw/zinc/83/94/61/490839461.db2.gz RHPFSHXPASCNNX-HOTGVXAUSA-N 2 2 361.494 0.292 20 0 FCADLP CCc1cc(N2CCC[C@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)ncn1 ZINC000515811112 490839464 /nfs/dbraw/zinc/83/94/64/490839464.db2.gz RHPFSHXPASCNNX-HOTGVXAUSA-N 2 2 361.494 0.292 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000515870527 490842057 /nfs/dbraw/zinc/84/20/57/490842057.db2.gz QABNOGQPQWWJTO-UHFFFAOYSA-N 2 2 372.429 0.897 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000515870527 490842060 /nfs/dbraw/zinc/84/20/60/490842060.db2.gz QABNOGQPQWWJTO-UHFFFAOYSA-N 2 2 372.429 0.897 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000515876912 490842568 /nfs/dbraw/zinc/84/25/68/490842568.db2.gz PACQGEPAQVJSGU-UHFFFAOYSA-N 2 2 370.538 0.839 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000529309214 490849769 /nfs/dbraw/zinc/84/97/69/490849769.db2.gz IXKQWMFUMIPWQT-KRWDZBQOSA-N 2 2 365.522 0.570 20 0 FCADLP CC(C)Nc1nc(NCCC[N@@H+]2CCCC[C@H]2C)nc(NCCO)[nH+]1 ZINC000516102087 490851114 /nfs/dbraw/zinc/85/11/14/490851114.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCC[N@H+]2CCCC[C@H]2C)nc(NCCO)[nH+]1 ZINC000516102087 490851116 /nfs/dbraw/zinc/85/11/16/490851116.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000516102087 490851119 /nfs/dbraw/zinc/85/11/19/490851119.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000516102087 490851122 /nfs/dbraw/zinc/85/11/22/490851122.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000516102087 490851124 /nfs/dbraw/zinc/85/11/24/490851124.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000516102087 490851129 /nfs/dbraw/zinc/85/11/29/490851129.db2.gz QHNFBSHVSZOBSR-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CO[C@@H](C)CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000541152036 490853146 /nfs/dbraw/zinc/85/31/46/490853146.db2.gz NKBVIDQDYULFRY-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1F ZINC000529376405 490857940 /nfs/dbraw/zinc/85/79/40/490857940.db2.gz VHKJDUNVVIVNCW-HNNXBMFYSA-N 2 2 366.437 0.650 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000516432948 490863344 /nfs/dbraw/zinc/86/33/44/490863344.db2.gz UBRWPRQKDPGNNO-IAGOWNOFSA-N 2 2 365.522 0.714 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000516647007 490872337 /nfs/dbraw/zinc/87/23/37/490872337.db2.gz BUNFTPKZOWCZEE-SFHVURJKSA-N 2 2 374.485 0.468 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)[C@H](C[NH3+])C1 ZINC000557199059 491359279 /nfs/dbraw/zinc/35/92/79/491359279.db2.gz LIJJYGPFCNGZHF-NUJGCVRESA-N 2 2 372.473 0.170 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)[C@H](C[NH3+])C1 ZINC000557199059 491359281 /nfs/dbraw/zinc/35/92/81/491359281.db2.gz LIJJYGPFCNGZHF-NUJGCVRESA-N 2 2 372.473 0.170 20 0 FCADLP C[NH+](CCc1cnccn1)CC1(C[N@H+](C)CCc2cnccn2)COC1 ZINC000542046264 490883218 /nfs/dbraw/zinc/88/32/18/490883218.db2.gz XFRZSDGGGDGVCD-UHFFFAOYSA-N 2 2 356.474 0.932 20 0 FCADLP C[NH+](CCc1cnccn1)CC1(C[N@@H+](C)CCc2cnccn2)COC1 ZINC000542046264 490883221 /nfs/dbraw/zinc/88/32/21/490883221.db2.gz XFRZSDGGGDGVCD-UHFFFAOYSA-N 2 2 356.474 0.932 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000542168670 490887872 /nfs/dbraw/zinc/88/78/72/490887872.db2.gz STXZBZNFVDBTLP-KAKFPZCNSA-N 3 2 364.534 0.724 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000542168670 490887873 /nfs/dbraw/zinc/88/78/73/490887873.db2.gz STXZBZNFVDBTLP-KAKFPZCNSA-N 3 2 364.534 0.724 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000517125844 490895943 /nfs/dbraw/zinc/89/59/43/490895943.db2.gz CJMONQMKLZTTBN-HRCADAONSA-N 2 2 366.506 0.202 20 0 FCADLP CN(CCC[NH+](C)C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542685850 490904446 /nfs/dbraw/zinc/90/44/46/490904446.db2.gz CHMLEPQGJSZBPJ-UHFFFAOYSA-N 2 2 362.478 0.885 20 0 FCADLP C[C@H](C(=O)NCC1(NC(=O)[C@@H](C)[NH+]2CC(C)C2)CCC1)[NH+]1CC(C)C1 ZINC000517390401 490906813 /nfs/dbraw/zinc/90/68/13/490906813.db2.gz BCOLEJWJLJPROE-HZPDHXFCSA-N 2 2 350.507 0.822 20 0 FCADLP CN(CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000517556011 490911460 /nfs/dbraw/zinc/91/14/60/490911460.db2.gz BZDQJKQXJPOKEM-OAHLLOKOSA-N 2 2 359.467 0.491 20 0 FCADLP CN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000517556011 490911462 /nfs/dbraw/zinc/91/14/62/490911462.db2.gz BZDQJKQXJPOKEM-OAHLLOKOSA-N 2 2 359.467 0.491 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517719276 490917913 /nfs/dbraw/zinc/91/79/13/490917913.db2.gz OSPKJSJFEPKZKO-HXUWFJFHSA-N 2 2 373.545 0.951 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000517719276 490917914 /nfs/dbraw/zinc/91/79/14/490917914.db2.gz OSPKJSJFEPKZKO-HXUWFJFHSA-N 2 2 373.545 0.951 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000517766889 490920565 /nfs/dbraw/zinc/92/05/65/490920565.db2.gz JHZRBOVIRYLZST-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP COc1ccccc1OC[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565294898 491368026 /nfs/dbraw/zinc/36/80/26/491368026.db2.gz SJRMMANOKFTHCP-LSDHHAIUSA-N 2 2 350.463 0.994 20 0 FCADLP COc1ccccc1OC[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565294898 491368028 /nfs/dbraw/zinc/36/80/28/491368028.db2.gz SJRMMANOKFTHCP-LSDHHAIUSA-N 2 2 350.463 0.994 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000518376997 490938402 /nfs/dbraw/zinc/93/84/02/490938402.db2.gz JRSVVAXFOLLHFH-GOSISDBHSA-N 2 2 365.499 0.848 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(OC)c1OCC(N)=O ZINC000543768590 490946132 /nfs/dbraw/zinc/94/61/32/490946132.db2.gz VPXUJCOVZWOHPY-ZDUSSCGKSA-N 2 2 351.447 0.951 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(OC)c1OCC(N)=O ZINC000543768590 490946133 /nfs/dbraw/zinc/94/61/33/490946133.db2.gz VPXUJCOVZWOHPY-ZDUSSCGKSA-N 2 2 351.447 0.951 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000518813916 490952829 /nfs/dbraw/zinc/95/28/29/490952829.db2.gz DSNIUXIFLJHPFV-INIZCTEOSA-N 2 2 356.511 0.489 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382236 490955208 /nfs/dbraw/zinc/95/52/08/490955208.db2.gz IQPWUBIYYCBVOT-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382236 490955210 /nfs/dbraw/zinc/95/52/10/490955210.db2.gz IQPWUBIYYCBVOT-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382236 490955212 /nfs/dbraw/zinc/95/52/12/490955212.db2.gz IQPWUBIYYCBVOT-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C ZINC000531382236 490955214 /nfs/dbraw/zinc/95/52/14/490955214.db2.gz IQPWUBIYYCBVOT-IAGOWNOFSA-N 2 2 367.538 0.023 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCCCC[NH+]2CCN(C)CC2)n1C ZINC000531439095 490958513 /nfs/dbraw/zinc/95/85/13/490958513.db2.gz IRBAOJDOICKACJ-UHFFFAOYSA-N 2 2 351.499 0.313 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCCCCN2CC[NH+](C)CC2)n1C ZINC000531439095 490958515 /nfs/dbraw/zinc/95/85/15/490958515.db2.gz IRBAOJDOICKACJ-UHFFFAOYSA-N 2 2 351.499 0.313 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000519022875 490959783 /nfs/dbraw/zinc/95/97/83/490959783.db2.gz UNVOSPMEUGXUJO-UHFFFAOYSA-N 2 2 362.478 0.613 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000519151253 490963338 /nfs/dbraw/zinc/96/33/38/490963338.db2.gz MMTQSEFYGHSDQD-STQMWFEESA-N 2 2 354.451 0.209 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000519151253 490963339 /nfs/dbraw/zinc/96/33/39/490963339.db2.gz MMTQSEFYGHSDQD-STQMWFEESA-N 2 2 354.451 0.209 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCC(=O)Nc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000544382070 490967090 /nfs/dbraw/zinc/96/70/90/490967090.db2.gz NQUWCOMHEDDFSD-YJBOKZPZSA-N 2 2 372.469 0.983 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531663812 490970172 /nfs/dbraw/zinc/97/01/72/490970172.db2.gz XLHQFPXRCXXAHC-HZPDHXFCSA-N 2 2 356.536 0.978 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000519640542 490981221 /nfs/dbraw/zinc/98/12/21/490981221.db2.gz DKESJCPSXQYNIH-WBVHZDCISA-N 3 2 366.531 0.840 20 0 FCADLP C[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000531939070 490981406 /nfs/dbraw/zinc/98/14/06/490981406.db2.gz AUUZNRIGRSZHMY-UHFFFAOYSA-N 3 2 367.519 0.217 20 0 FCADLP C[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000531939070 490981408 /nfs/dbraw/zinc/98/14/08/490981408.db2.gz AUUZNRIGRSZHMY-UHFFFAOYSA-N 2 2 367.519 0.217 20 0 FCADLP CC(C)C[C@H](CCC(=O)N1CC[NH+](C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC000532342810 490991419 /nfs/dbraw/zinc/99/14/19/490991419.db2.gz YLDOIIRMMLLXRI-KRWDZBQOSA-N 2 2 352.523 0.977 20 0 FCADLP CN(C(=O)[C@@]12CCC(=O)N1CCS2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479293 491926030 /nfs/dbraw/zinc/92/60/30/491926030.db2.gz UMAVNXNAUSOGDL-YJBOKZPZSA-N 2 2 366.531 0.679 20 0 FCADLP CN(C(=O)[C@@]12CCC(=O)N1CCS2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479293 491926031 /nfs/dbraw/zinc/92/60/31/491926031.db2.gz UMAVNXNAUSOGDL-YJBOKZPZSA-N 2 2 366.531 0.679 20 0 FCADLP CCOC(=O)[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)=O ZINC000597010164 492009498 /nfs/dbraw/zinc/00/94/98/492009498.db2.gz UTPNOUKNMSJVQD-QGZVFWFLSA-N 2 2 367.490 0.820 20 0 FCADLP CN1C(=O)C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000683145385 493335084 /nfs/dbraw/zinc/33/50/84/493335084.db2.gz SUXPUZKXOZQIQX-YJBOKZPZSA-N 2 2 366.412 0.600 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562442361 491166123 /nfs/dbraw/zinc/16/61/23/491166123.db2.gz PUGCEZOGPBWIFA-LMMKCTJWSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562442361 491166124 /nfs/dbraw/zinc/16/61/24/491166124.db2.gz PUGCEZOGPBWIFA-LMMKCTJWSA-N 3 2 357.539 0.747 20 0 FCADLP CN1C(=O)C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000683145382 493335188 /nfs/dbraw/zinc/33/51/88/493335188.db2.gz SUXPUZKXOZQIQX-MAUKXSAKSA-N 2 2 366.412 0.600 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000569629982 491176341 /nfs/dbraw/zinc/17/63/41/491176341.db2.gz PCVLTSRLCLWJQV-UHFFFAOYSA-N 2 2 363.462 0.188 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569710806 491184934 /nfs/dbraw/zinc/18/49/34/491184934.db2.gz WSMTXZGLOKOUPQ-RRCSTGOVSA-N 2 2 358.442 0.259 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569710806 491184935 /nfs/dbraw/zinc/18/49/35/491184935.db2.gz WSMTXZGLOKOUPQ-RRCSTGOVSA-N 2 2 358.442 0.259 20 0 FCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)C2)CC1 ZINC000557368563 491369970 /nfs/dbraw/zinc/36/99/70/491369970.db2.gz LZXXGJRFDWTPGR-KRWDZBQOSA-N 2 2 361.490 0.970 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1F ZINC000572467228 491371980 /nfs/dbraw/zinc/37/19/80/491371980.db2.gz SPLVINKLIQLXQG-HNNXBMFYSA-N 2 2 366.437 0.650 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000572476941 491373029 /nfs/dbraw/zinc/37/30/29/491373029.db2.gz TYABLIGCVPQQQK-LSDHHAIUSA-N 2 2 355.398 0.665 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000565435732 491376365 /nfs/dbraw/zinc/37/63/65/491376365.db2.gz BEJCAYRIQOHNGS-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000565435732 491376367 /nfs/dbraw/zinc/37/63/67/491376367.db2.gz BEJCAYRIQOHNGS-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000565435732 491376371 /nfs/dbraw/zinc/37/63/71/491376371.db2.gz BEJCAYRIQOHNGS-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000565435732 491376374 /nfs/dbraw/zinc/37/63/74/491376374.db2.gz BEJCAYRIQOHNGS-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CCNc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439164 491376793 /nfs/dbraw/zinc/37/67/93/491376793.db2.gz FAQPSMFDLBODBG-OLZOCXBDSA-N 2 2 351.499 0.827 20 0 FCADLP CCNc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439164 491376795 /nfs/dbraw/zinc/37/67/95/491376795.db2.gz FAQPSMFDLBODBG-OLZOCXBDSA-N 2 2 351.499 0.827 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000565480451 491379429 /nfs/dbraw/zinc/37/94/29/491379429.db2.gz DJYKKWMLZKMLEU-GJZGRUSLSA-N 2 2 357.458 0.984 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000557583497 491385133 /nfs/dbraw/zinc/38/51/33/491385133.db2.gz UXPQSGJETFHPNX-SJORKVTESA-N 2 2 373.501 0.769 20 0 FCADLP CCNc1nc(N2CC[NH+](C(C)(C)C(N)=O)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000557605681 491387015 /nfs/dbraw/zinc/38/70/15/491387015.db2.gz JWWFTAHKMPRGGX-UHFFFAOYSA-N 2 2 364.498 0.322 20 0 FCADLP COCCC(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565594746 491387230 /nfs/dbraw/zinc/38/72/30/491387230.db2.gz WTQSPAODQGKDHL-HLLBOEOZSA-N 2 2 357.495 0.074 20 0 FCADLP COCCC(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565594746 491387232 /nfs/dbraw/zinc/38/72/32/491387232.db2.gz WTQSPAODQGKDHL-HLLBOEOZSA-N 2 2 357.495 0.074 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514001 493339327 /nfs/dbraw/zinc/33/93/27/493339327.db2.gz DZJBFDTXFOMMNL-KZNAEPCWSA-N 2 2 353.507 0.791 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514001 493339329 /nfs/dbraw/zinc/33/93/29/493339329.db2.gz DZJBFDTXFOMMNL-KZNAEPCWSA-N 2 2 353.507 0.791 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000660281352 493339477 /nfs/dbraw/zinc/33/94/77/493339477.db2.gz XRIOPDTZOSFLPQ-GJZGRUSLSA-N 2 2 362.478 0.023 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000660281352 493339480 /nfs/dbraw/zinc/33/94/80/493339480.db2.gz XRIOPDTZOSFLPQ-GJZGRUSLSA-N 2 2 362.478 0.023 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000565765871 491397965 /nfs/dbraw/zinc/39/79/65/491397965.db2.gz PUDGHBCIPFRAAT-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000565765871 491397966 /nfs/dbraw/zinc/39/79/66/491397966.db2.gz PUDGHBCIPFRAAT-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000565763523 491397994 /nfs/dbraw/zinc/39/79/94/491397994.db2.gz ABPITBAZYXFVMB-INIZCTEOSA-N 2 2 355.442 0.692 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573197561 491418492 /nfs/dbraw/zinc/41/84/92/491418492.db2.gz JBXKIQCDIZRZFT-GBESFXJTSA-N 2 2 360.502 0.858 20 0 FCADLP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573320635 491426326 /nfs/dbraw/zinc/42/63/26/491426326.db2.gz BVEOGIREPLBMHO-DLBZAZTESA-N 2 2 366.506 0.333 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000558337089 491426369 /nfs/dbraw/zinc/42/63/69/491426369.db2.gz IALKFVXPLWXULE-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000558337089 491426371 /nfs/dbraw/zinc/42/63/71/491426371.db2.gz IALKFVXPLWXULE-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000558337089 491426374 /nfs/dbraw/zinc/42/63/74/491426374.db2.gz IALKFVXPLWXULE-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000558337089 491426377 /nfs/dbraw/zinc/42/63/77/491426377.db2.gz IALKFVXPLWXULE-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000558496079 491433448 /nfs/dbraw/zinc/43/34/48/491433448.db2.gz FUPQBYNJXROMJE-OAHLLOKOSA-N 2 2 352.483 1.066 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000558496079 491433449 /nfs/dbraw/zinc/43/34/49/491433449.db2.gz FUPQBYNJXROMJE-OAHLLOKOSA-N 2 2 352.483 1.066 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573442959 491433829 /nfs/dbraw/zinc/43/38/29/491433829.db2.gz YPPVWOVVXICSPC-AWEZNQCLSA-N 2 2 360.487 0.880 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573442959 491433832 /nfs/dbraw/zinc/43/38/32/491433832.db2.gz YPPVWOVVXICSPC-AWEZNQCLSA-N 2 2 360.487 0.880 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC[S@]1=O ZINC000566300438 491434047 /nfs/dbraw/zinc/43/40/47/491434047.db2.gz LBBIBIXTDAHLFZ-IYCMYEMBSA-N 2 2 360.483 0.781 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000566303672 491434071 /nfs/dbraw/zinc/43/40/71/491434071.db2.gz FDMGXHSLZIDGNS-RBUKOAKNSA-N 2 2 372.513 0.881 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000573906255 491462078 /nfs/dbraw/zinc/46/20/78/491462078.db2.gz CDWKMNZSNIXQAK-SFHVURJKSA-N 2 2 373.501 0.265 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000559347453 491466452 /nfs/dbraw/zinc/46/64/52/491466452.db2.gz PACPSHAIPXYCRR-UHFFFAOYSA-N 2 2 351.451 0.007 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382285 491469073 /nfs/dbraw/zinc/46/90/73/491469073.db2.gz UVARRPVGSGAPKO-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559382285 491469075 /nfs/dbraw/zinc/46/90/75/491469075.db2.gz UVARRPVGSGAPKO-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)CC1=O ZINC000673550436 493344895 /nfs/dbraw/zinc/34/48/95/493344895.db2.gz NJFUEGOQACRZFE-INIZCTEOSA-N 2 2 373.457 0.172 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)CC1=O ZINC000673550436 493344897 /nfs/dbraw/zinc/34/48/97/493344897.db2.gz NJFUEGOQACRZFE-INIZCTEOSA-N 2 2 373.457 0.172 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000574107256 491474878 /nfs/dbraw/zinc/47/48/78/491474878.db2.gz LWGOYYKYNHCVRS-QGZVFWFLSA-N 2 2 373.501 0.767 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559462760 491475629 /nfs/dbraw/zinc/47/56/29/491475629.db2.gz MJTOXUKVCDFXFL-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1)[NH+]1CCOCC1 ZINC000559465290 491475920 /nfs/dbraw/zinc/47/59/20/491475920.db2.gz LQZHRNLVWASVQV-MJGOQNOKSA-N 2 2 369.506 0.123 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000567047010 491482414 /nfs/dbraw/zinc/48/24/14/491482414.db2.gz DSKHCWMXWDRVNU-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600451 491484518 /nfs/dbraw/zinc/48/45/18/491484518.db2.gz HKJGFTCRRGWVCW-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000559600451 491484519 /nfs/dbraw/zinc/48/45/19/491484519.db2.gz HKJGFTCRRGWVCW-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP COC(=O)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000567148812 491488768 /nfs/dbraw/zinc/48/87/68/491488768.db2.gz URFLWXWDVPKUBF-ZDUSSCGKSA-N 2 2 350.419 0.266 20 0 FCADLP COC(=O)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000567148812 491488771 /nfs/dbraw/zinc/48/87/71/491488771.db2.gz URFLWXWDVPKUBF-ZDUSSCGKSA-N 2 2 350.419 0.266 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CCN2C1=O ZINC000574340625 491490237 /nfs/dbraw/zinc/49/02/37/491490237.db2.gz NDXPCHJFPCSDSJ-CVEARBPZSA-N 2 2 354.414 0.326 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000567184665 491490965 /nfs/dbraw/zinc/49/09/65/491490965.db2.gz SEDFTGFYBNAMGD-UHFFFAOYSA-N 2 2 352.398 0.964 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574396240 491493246 /nfs/dbraw/zinc/49/32/46/491493246.db2.gz OGSUTNZPZFTCHP-HNNXBMFYSA-N 2 2 355.446 0.955 20 0 FCADLP [NH3+]C[C@@H](CN1CC[NH+](CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000574403436 491494045 /nfs/dbraw/zinc/49/40/45/491494045.db2.gz CXGPTUBBUNOPQE-KRWDZBQOSA-N 2 2 364.465 0.344 20 0 FCADLP [NH3+]C[C@@H](C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000574403436 491494048 /nfs/dbraw/zinc/49/40/48/491494048.db2.gz CXGPTUBBUNOPQE-KRWDZBQOSA-N 2 2 364.465 0.344 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000559756580 491495867 /nfs/dbraw/zinc/49/58/67/491495867.db2.gz WWXJFCKSEQWEDM-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000559756580 491495870 /nfs/dbraw/zinc/49/58/70/491495870.db2.gz WWXJFCKSEQWEDM-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000559755388 491495997 /nfs/dbraw/zinc/49/59/97/491495997.db2.gz LNEHVARANQJOKG-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000567278084 491496866 /nfs/dbraw/zinc/49/68/66/491496866.db2.gz BYDTWWNHMYKNJM-SJORKVTESA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000567278084 491496869 /nfs/dbraw/zinc/49/68/69/491496869.db2.gz BYDTWWNHMYKNJM-SJORKVTESA-N 2 2 366.506 0.155 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000574463020 491498846 /nfs/dbraw/zinc/49/88/46/491498846.db2.gz LZDJCDMNVVEKJV-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499028 491500661 /nfs/dbraw/zinc/50/06/61/491500661.db2.gz VPWIDOYIAOHUGO-GOEBONIOSA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499028 491500663 /nfs/dbraw/zinc/50/06/63/491500663.db2.gz VPWIDOYIAOHUGO-GOEBONIOSA-N 2 2 357.458 0.701 20 0 FCADLP Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000574512660 491502121 /nfs/dbraw/zinc/50/21/21/491502121.db2.gz ZCAAZDMRGCYUQY-HLLBOEOZSA-N 2 2 367.465 0.924 20 0 FCADLP Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000574512660 491502124 /nfs/dbraw/zinc/50/21/24/491502124.db2.gz ZCAAZDMRGCYUQY-HLLBOEOZSA-N 2 2 367.465 0.924 20 0 FCADLP CN1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000574546918 491504646 /nfs/dbraw/zinc/50/46/46/491504646.db2.gz VKHGMLGJJAZUKT-ROUUACIJSA-N 2 2 361.490 0.344 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000567416207 491505240 /nfs/dbraw/zinc/50/52/40/491505240.db2.gz JWPIWGGPXIDVFE-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000567416207 491505242 /nfs/dbraw/zinc/50/52/42/491505242.db2.gz JWPIWGGPXIDVFE-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCOCCOCc2ccccc2)[C@H](C[NH3+])C1 ZINC000567454639 491507262 /nfs/dbraw/zinc/50/72/62/491507262.db2.gz OWZOANQUJLHYGQ-GOSISDBHSA-N 2 2 364.490 0.894 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCOCCOCc2ccccc2)[C@H](C[NH3+])C1 ZINC000567454639 491507264 /nfs/dbraw/zinc/50/72/64/491507264.db2.gz OWZOANQUJLHYGQ-GOSISDBHSA-N 2 2 364.490 0.894 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000574668374 491512495 /nfs/dbraw/zinc/51/24/95/491512495.db2.gz RNMADVCVESEPLW-OAHLLOKOSA-N 2 2 365.909 0.901 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000574668374 491512496 /nfs/dbraw/zinc/51/24/96/491512496.db2.gz RNMADVCVESEPLW-OAHLLOKOSA-N 2 2 365.909 0.901 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000574667912 491512573 /nfs/dbraw/zinc/51/25/73/491512573.db2.gz VLIQFFXGLYNGMZ-JKSUJKDBSA-N 2 2 351.495 0.324 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000574676859 491512915 /nfs/dbraw/zinc/51/29/15/491512915.db2.gz VNKZPAVCTYRYKL-LSDHHAIUSA-N 2 2 370.457 0.764 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000559970202 491513004 /nfs/dbraw/zinc/51/30/04/491513004.db2.gz LNAVBPJSZBQQBY-CYBMUJFWSA-N 2 2 361.421 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023811 491516007 /nfs/dbraw/zinc/51/60/07/491516007.db2.gz FNAMNKLGJPEUFJ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023811 491516008 /nfs/dbraw/zinc/51/60/08/491516008.db2.gz FNAMNKLGJPEUFJ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023811 491516009 /nfs/dbraw/zinc/51/60/09/491516009.db2.gz FNAMNKLGJPEUFJ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000560023811 491516010 /nfs/dbraw/zinc/51/60/10/491516010.db2.gz FNAMNKLGJPEUFJ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000574742239 491516959 /nfs/dbraw/zinc/51/69/59/491516959.db2.gz ZIQJVFBZUWLXHS-HOCLYGCPSA-N 2 2 351.495 0.228 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000574741500 491517219 /nfs/dbraw/zinc/51/72/19/491517219.db2.gz NGCKBILKNJNRAG-GOEBONIOSA-N 2 2 362.478 0.433 20 0 FCADLP Cc1cccn2cc(CC(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)[nH+]c12 ZINC000574751572 491517662 /nfs/dbraw/zinc/51/76/62/491517662.db2.gz ZXHGREKKTKXZBR-KRWDZBQOSA-N 2 2 369.469 0.997 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCNC(C)=O)CC2)cc1 ZINC000574754278 491517914 /nfs/dbraw/zinc/51/79/14/491517914.db2.gz RSCYJNSCGZLZHA-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCNC(C)=O)CC2)cc1 ZINC000574754278 491517916 /nfs/dbraw/zinc/51/79/16/491517916.db2.gz RSCYJNSCGZLZHA-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567653759 491520911 /nfs/dbraw/zinc/52/09/11/491520911.db2.gz STWYNHGMXIEUGB-CVEARBPZSA-N 2 2 362.499 0.745 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000574875614 491525541 /nfs/dbraw/zinc/52/55/41/491525541.db2.gz WTXNREPJSSZZIX-JKSUJKDBSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000574875614 491525544 /nfs/dbraw/zinc/52/55/44/491525544.db2.gz WTXNREPJSSZZIX-JKSUJKDBSA-N 2 2 354.495 0.188 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000574974759 491531341 /nfs/dbraw/zinc/53/13/41/491531341.db2.gz PZMGZGNCMIEUNZ-RYUDHWBXSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@@H](C[NH3+])C1 ZINC000574974759 491531342 /nfs/dbraw/zinc/53/13/42/491531342.db2.gz PZMGZGNCMIEUNZ-RYUDHWBXSA-N 2 2 367.400 0.354 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000560404254 491537610 /nfs/dbraw/zinc/53/76/10/491537610.db2.gz FTDIDPABQOPTLV-IRXDYDNUSA-N 2 2 366.506 0.746 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000575079811 491538149 /nfs/dbraw/zinc/53/81/49/491538149.db2.gz PBOBOQPGJAKYCR-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000575079811 491538152 /nfs/dbraw/zinc/53/81/52/491538152.db2.gz PBOBOQPGJAKYCR-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H]3[NH2+]CC[C@@H]3C1)C2 ZINC000567889911 491538493 /nfs/dbraw/zinc/53/84/93/491538493.db2.gz JMQCKPSHBZCIQW-ZIAGYGMSSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1ccc(C(=O)N2CCC(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2)cc1 ZINC000575108199 491539849 /nfs/dbraw/zinc/53/98/49/491539849.db2.gz HESNWPBBGREMLG-SFHVURJKSA-N 2 2 373.501 0.884 20 0 FCADLP Cc1ccc(C(=O)N2CCC(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2)cc1 ZINC000575108199 491539851 /nfs/dbraw/zinc/53/98/51/491539851.db2.gz HESNWPBBGREMLG-SFHVURJKSA-N 2 2 373.501 0.884 20 0 FCADLP CCNc1nc(NCC(C)(C)[NH+]2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000567934701 491542205 /nfs/dbraw/zinc/54/22/05/491542205.db2.gz IZJJICNNZFEUOJ-UHFFFAOYSA-N 2 2 351.499 0.880 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000560509337 491543431 /nfs/dbraw/zinc/54/34/31/491543431.db2.gz CGDIWTXCQBJZAD-RKVPGOIHSA-N 2 2 370.515 0.791 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000560509335 491543599 /nfs/dbraw/zinc/54/35/99/491543599.db2.gz CGDIWTXCQBJZAD-DAYGRLMNSA-N 2 2 370.515 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000560509335 491543600 /nfs/dbraw/zinc/54/36/00/491543600.db2.gz CGDIWTXCQBJZAD-DAYGRLMNSA-N 2 2 370.515 0.791 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@]12CCNC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192601 491544568 /nfs/dbraw/zinc/54/45/68/491544568.db2.gz HOJCXWNRPWOLIG-LJQANCHMSA-N 2 2 357.458 0.475 20 0 FCADLP O=C(CC[N@H+]1CCC[C@]12CCNC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192601 491544570 /nfs/dbraw/zinc/54/45/70/491544570.db2.gz HOJCXWNRPWOLIG-LJQANCHMSA-N 2 2 357.458 0.475 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000575365034 491550797 /nfs/dbraw/zinc/55/07/97/491550797.db2.gz NYZAPSYEFZUGQZ-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000575365034 491550798 /nfs/dbraw/zinc/55/07/98/491550798.db2.gz NYZAPSYEFZUGQZ-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)CC2)cc[nH+]1 ZINC000568075447 491551661 /nfs/dbraw/zinc/55/16/61/491551661.db2.gz XQCOGDREUDUJDA-UHFFFAOYSA-N 2 2 372.473 0.036 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000575376988 491551707 /nfs/dbraw/zinc/55/17/07/491551707.db2.gz BYVCZBQEKSTSFS-ZACQAIPSSA-N 2 2 357.539 0.936 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H](C[NH3+])C1 ZINC000575733618 491556835 /nfs/dbraw/zinc/55/68/35/491556835.db2.gz IGHOHBGMGVSIHJ-KRWDZBQOSA-N 2 2 360.437 0.838 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H](C[NH3+])C1 ZINC000575733618 491556838 /nfs/dbraw/zinc/55/68/38/491556838.db2.gz IGHOHBGMGVSIHJ-KRWDZBQOSA-N 2 2 360.437 0.838 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000560777971 491557068 /nfs/dbraw/zinc/55/70/68/491557068.db2.gz RSMWIJNRYHCJRC-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000560777971 491557069 /nfs/dbraw/zinc/55/70/69/491557069.db2.gz RSMWIJNRYHCJRC-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000575766289 491559314 /nfs/dbraw/zinc/55/93/14/491559314.db2.gz PXNLFIPLDIVVHK-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000560887496 491561987 /nfs/dbraw/zinc/56/19/87/491561987.db2.gz QJDQVIHSJMSDAL-AWEZNQCLSA-N 2 2 363.462 0.019 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000560887496 491561988 /nfs/dbraw/zinc/56/19/88/491561988.db2.gz QJDQVIHSJMSDAL-AWEZNQCLSA-N 2 2 363.462 0.019 20 0 FCADLP C[N@@H+]1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)[C@@H](C[NH3+])C1 ZINC000568270198 491565563 /nfs/dbraw/zinc/56/55/63/491565563.db2.gz VIPRTMZPTWNNOG-AWEZNQCLSA-N 2 2 374.466 0.450 20 0 FCADLP C[N@H+]1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)[C@@H](C[NH3+])C1 ZINC000568270198 491565564 /nfs/dbraw/zinc/56/55/64/491565564.db2.gz VIPRTMZPTWNNOG-AWEZNQCLSA-N 2 2 374.466 0.450 20 0 FCADLP O=C(CCNC(=O)N1CCC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000568370796 491572402 /nfs/dbraw/zinc/57/24/02/491572402.db2.gz QKGDGXXMZZRZRK-UHFFFAOYSA-N 2 2 360.462 0.125 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383511 491573164 /nfs/dbraw/zinc/57/31/64/491573164.db2.gz QBVYKFXIZWOEIU-HNNXBMFYSA-N 2 2 371.478 0.910 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383511 491573166 /nfs/dbraw/zinc/57/31/66/491573166.db2.gz QBVYKFXIZWOEIU-HNNXBMFYSA-N 2 2 371.478 0.910 20 0 FCADLP C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C[NH2+]1 ZINC000561151761 491578513 /nfs/dbraw/zinc/57/85/13/491578513.db2.gz TZFCHJLOEYBDFY-CVEARBPZSA-N 2 2 374.489 0.512 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000561145286 491578617 /nfs/dbraw/zinc/57/86/17/491578617.db2.gz DHJINWFCOZFNSN-OAHLLOKOSA-N 2 2 369.535 0.572 20 0 FCADLP Cc1ncsc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000576061421 491579512 /nfs/dbraw/zinc/57/95/12/491579512.db2.gz ZMBAHLIGAVVLEB-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP Cc1ncsc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576061421 491579514 /nfs/dbraw/zinc/57/95/14/491579514.db2.gz ZMBAHLIGAVVLEB-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[N@H+](C)C1CC1 ZINC000561180692 491581081 /nfs/dbraw/zinc/58/10/81/491581081.db2.gz ZXVMUNWZEUBHRK-CQSZACIVSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[N@@H+](C)C1CC1 ZINC000561180692 491581082 /nfs/dbraw/zinc/58/10/82/491581082.db2.gz ZXVMUNWZEUBHRK-CQSZACIVSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568565945 491587009 /nfs/dbraw/zinc/58/70/09/491587009.db2.gz ZQJHLPKGMIYYME-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568565945 491587019 /nfs/dbraw/zinc/58/70/19/491587019.db2.gz ZQJHLPKGMIYYME-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000577084836 491588163 /nfs/dbraw/zinc/58/81/63/491588163.db2.gz QGAJJLZSSNHXMR-DLBZAZTESA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561243416 491588610 /nfs/dbraw/zinc/58/86/10/491588610.db2.gz NQRPJDKCFKDAAF-JKSUJKDBSA-N 2 2 354.495 0.250 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000577098859 491589405 /nfs/dbraw/zinc/58/94/05/491589405.db2.gz MLUPUYCJXGQGMU-UXDQUXDASA-N 2 2 352.479 0.557 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000577098859 491589410 /nfs/dbraw/zinc/58/94/10/491589410.db2.gz MLUPUYCJXGQGMU-UXDQUXDASA-N 2 2 352.479 0.557 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000660467371 493353923 /nfs/dbraw/zinc/35/39/23/493353923.db2.gz FUTTZRDTIZZOLN-QGZVFWFLSA-N 2 2 366.506 0.302 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000660467371 493353925 /nfs/dbraw/zinc/35/39/25/493353925.db2.gz FUTTZRDTIZZOLN-QGZVFWFLSA-N 2 2 366.506 0.302 20 0 FCADLP C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000584519051 491599266 /nfs/dbraw/zinc/59/92/66/491599266.db2.gz SUMIGQPNFOGFCC-OAHLLOKOSA-N 2 2 360.462 0.124 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000561368219 491602145 /nfs/dbraw/zinc/60/21/45/491602145.db2.gz UICLKNCIYLJZQB-IRXDYDNUSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000576331662 491605984 /nfs/dbraw/zinc/60/59/84/491605984.db2.gz YPYPVGOQOWKCJZ-HZMVEIRTSA-N 2 2 366.506 0.332 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000577359768 491614259 /nfs/dbraw/zinc/61/42/59/491614259.db2.gz XQGOTDWEEIYZOS-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000577359768 491614261 /nfs/dbraw/zinc/61/42/61/491614261.db2.gz XQGOTDWEEIYZOS-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000577359768 491614263 /nfs/dbraw/zinc/61/42/63/491614263.db2.gz XQGOTDWEEIYZOS-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2=O)c1 ZINC000577389187 491617925 /nfs/dbraw/zinc/61/79/25/491617925.db2.gz UBOVYQFAZBGSPG-JQFCIGGWSA-N 2 2 374.441 0.053 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2=O)c1 ZINC000577389187 491617927 /nfs/dbraw/zinc/61/79/27/491617927.db2.gz UBOVYQFAZBGSPG-JQFCIGGWSA-N 2 2 374.441 0.053 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@H](C)[NH+]1CCOCC1 ZINC000568915081 491619966 /nfs/dbraw/zinc/61/99/66/491619966.db2.gz MDGUVFBKVAUVAR-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP COC(=O)c1ccc(OCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000568965827 491622537 /nfs/dbraw/zinc/62/25/37/491622537.db2.gz DMQKAJSGFNNBRA-CQSZACIVSA-N 2 2 350.419 0.136 20 0 FCADLP COC(=O)c1ccc(OCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000568965827 491622538 /nfs/dbraw/zinc/62/25/38/491622538.db2.gz DMQKAJSGFNNBRA-CQSZACIVSA-N 2 2 350.419 0.136 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000577476204 491625056 /nfs/dbraw/zinc/62/50/56/491625056.db2.gz YNRAJFHQPCNUQX-JYJNAYRXSA-N 2 2 352.479 0.086 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569001488 491626088 /nfs/dbraw/zinc/62/60/88/491626088.db2.gz BDCKVXLOQAETHD-UONOGXRCSA-N 2 2 366.849 0.209 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569001488 491626092 /nfs/dbraw/zinc/62/60/92/491626092.db2.gz BDCKVXLOQAETHD-UONOGXRCSA-N 2 2 366.849 0.209 20 0 FCADLP C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)[NH+]1CCSCC1 ZINC000569035740 491629608 /nfs/dbraw/zinc/62/96/08/491629608.db2.gz YJLJYPWMFCNLGH-HNNXBMFYSA-N 2 2 356.536 0.532 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000576612613 491629757 /nfs/dbraw/zinc/62/97/57/491629757.db2.gz HBRYNVYLFHDAEM-CQSZACIVSA-N 2 2 359.405 0.825 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000577632661 491638395 /nfs/dbraw/zinc/63/83/95/491638395.db2.gz XUWCUVZGRHYCBS-CVEARBPZSA-N 2 2 359.474 0.754 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577637705 491639009 /nfs/dbraw/zinc/63/90/09/491639009.db2.gz BGLCPDRTGFIYBS-LNLFQRSKSA-N 3 2 353.470 0.869 20 0 FCADLP CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000561932164 491641017 /nfs/dbraw/zinc/64/10/17/491641017.db2.gz REOPFNNAQBKRSZ-QGZVFWFLSA-N 2 2 368.522 0.452 20 0 FCADLP CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000561932164 491641019 /nfs/dbraw/zinc/64/10/19/491641019.db2.gz REOPFNNAQBKRSZ-QGZVFWFLSA-N 2 2 368.522 0.452 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000561994987 491644841 /nfs/dbraw/zinc/64/48/41/491644841.db2.gz AAIJOJDJHIYIRI-ZBFHGGJFSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000561994987 491644845 /nfs/dbraw/zinc/64/48/45/491644845.db2.gz AAIJOJDJHIYIRI-ZBFHGGJFSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000562011728 491648292 /nfs/dbraw/zinc/64/82/92/491648292.db2.gz LRLAKPRQQIHMPF-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000562034083 491649655 /nfs/dbraw/zinc/64/96/55/491649655.db2.gz NZJKFQVXFYQEBG-KRWDZBQOSA-N 2 2 367.515 0.884 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000562034083 491649656 /nfs/dbraw/zinc/64/96/56/491649656.db2.gz NZJKFQVXFYQEBG-KRWDZBQOSA-N 2 2 367.515 0.884 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000576846851 491649699 /nfs/dbraw/zinc/64/96/99/491649699.db2.gz RMQSYHAIBZMTPU-INIZCTEOSA-N 2 2 373.457 0.320 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000576846851 491649700 /nfs/dbraw/zinc/64/97/00/491649700.db2.gz RMQSYHAIBZMTPU-INIZCTEOSA-N 2 2 373.457 0.320 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000569325956 491652322 /nfs/dbraw/zinc/65/23/22/491652322.db2.gz QFOVRFOGFKFZLP-JKSUJKDBSA-N 2 2 374.489 0.312 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000569325954 491652651 /nfs/dbraw/zinc/65/26/51/491652651.db2.gz QFOVRFOGFKFZLP-HOTGVXAUSA-N 2 2 374.489 0.312 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000577851028 491656504 /nfs/dbraw/zinc/65/65/04/491656504.db2.gz XWDNIAIRPOWLCJ-NSHDSACASA-N 2 2 352.460 0.083 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917135 491663099 /nfs/dbraw/zinc/66/30/99/491663099.db2.gz RWFUXEBEZMEVMH-ZBFHGGJFSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917135 491663100 /nfs/dbraw/zinc/66/31/00/491663100.db2.gz RWFUXEBEZMEVMH-ZBFHGGJFSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000577917135 491663104 /nfs/dbraw/zinc/66/31/04/491663104.db2.gz RWFUXEBEZMEVMH-ZBFHGGJFSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000577917135 491663108 /nfs/dbraw/zinc/66/31/08/491663108.db2.gz RWFUXEBEZMEVMH-ZBFHGGJFSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917133 491663234 /nfs/dbraw/zinc/66/32/34/491663234.db2.gz RWFUXEBEZMEVMH-GOEBONIOSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917133 491663235 /nfs/dbraw/zinc/66/32/35/491663235.db2.gz RWFUXEBEZMEVMH-GOEBONIOSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000577917133 491663236 /nfs/dbraw/zinc/66/32/36/491663236.db2.gz RWFUXEBEZMEVMH-GOEBONIOSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000577917133 491663237 /nfs/dbraw/zinc/66/32/37/491663237.db2.gz RWFUXEBEZMEVMH-GOEBONIOSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCC[NH2+]C1 ZINC000578052087 491668706 /nfs/dbraw/zinc/66/87/06/491668706.db2.gz JUHXSVITNWGFTO-ZOBUZTSGSA-N 2 2 356.536 0.882 20 0 FCADLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000578052086 491668715 /nfs/dbraw/zinc/66/87/15/491668715.db2.gz JUHXSVITNWGFTO-ZMSDIMECSA-N 2 2 356.536 0.882 20 0 FCADLP CO[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097301 491669884 /nfs/dbraw/zinc/66/98/84/491669884.db2.gz QZTHJEKESQUKSS-HOTGVXAUSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097301 491669885 /nfs/dbraw/zinc/66/98/85/491669885.db2.gz QZTHJEKESQUKSS-HOTGVXAUSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000578237834 491672897 /nfs/dbraw/zinc/67/28/97/491672897.db2.gz RJWHMTLINMLVEP-UONOGXRCSA-N 2 2 370.475 0.101 20 0 FCADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000578237834 491672898 /nfs/dbraw/zinc/67/28/98/491672898.db2.gz RJWHMTLINMLVEP-UONOGXRCSA-N 2 2 370.475 0.101 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000578379865 491675899 /nfs/dbraw/zinc/67/58/99/491675899.db2.gz IWZWJZSYMCWLDD-RRQGHBQHSA-N 2 2 362.449 0.979 20 0 FCADLP CCN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000578379865 491675900 /nfs/dbraw/zinc/67/59/00/491675900.db2.gz IWZWJZSYMCWLDD-RRQGHBQHSA-N 2 2 362.449 0.979 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000578504939 491678608 /nfs/dbraw/zinc/67/86/08/491678608.db2.gz AUGOQMRQSXAOBK-XMTFNYHQSA-N 2 2 371.485 0.428 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000578504939 491678609 /nfs/dbraw/zinc/67/86/09/491678609.db2.gz AUGOQMRQSXAOBK-XMTFNYHQSA-N 2 2 371.485 0.428 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000578733980 491683014 /nfs/dbraw/zinc/68/30/14/491683014.db2.gz CHEHIPUKKYPWOO-RYRKJORJSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000578733980 491683015 /nfs/dbraw/zinc/68/30/15/491683015.db2.gz CHEHIPUKKYPWOO-RYRKJORJSA-N 2 2 373.501 0.886 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000578774767 491684261 /nfs/dbraw/zinc/68/42/61/491684261.db2.gz OWSHZEWSGVPRRO-HNNXBMFYSA-N 2 2 373.457 0.755 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000578774767 491684262 /nfs/dbraw/zinc/68/42/62/491684262.db2.gz OWSHZEWSGVPRRO-HNNXBMFYSA-N 2 2 373.457 0.755 20 0 FCADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1cscn1 ZINC000579002464 491688754 /nfs/dbraw/zinc/68/87/54/491688754.db2.gz WDGYYILESAXFPS-CQSZACIVSA-N 2 2 361.475 0.261 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253186 491694075 /nfs/dbraw/zinc/69/40/75/491694075.db2.gz LBXLKBHFWXAPSQ-BBRMVZONSA-N 2 2 367.453 0.296 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000579320592 491695296 /nfs/dbraw/zinc/69/52/96/491695296.db2.gz DRCWWJXQOBQROE-GJZGRUSLSA-N 2 2 360.462 0.839 20 0 FCADLP Cc1ccc(C(=O)NCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000579451859 491697977 /nfs/dbraw/zinc/69/79/77/491697977.db2.gz NMOFIHGLTOKEOH-AWEZNQCLSA-N 2 2 351.426 0.148 20 0 FCADLP Cc1ccc(C(=O)NCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000579451859 491697978 /nfs/dbraw/zinc/69/79/78/491697978.db2.gz NMOFIHGLTOKEOH-AWEZNQCLSA-N 2 2 351.426 0.148 20 0 FCADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579615164 491701758 /nfs/dbraw/zinc/70/17/58/491701758.db2.gz ZPFKIMDFKWLDRS-ZWKOTPCHSA-N 2 2 358.486 0.977 20 0 FCADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579615164 491701759 /nfs/dbraw/zinc/70/17/59/491701759.db2.gz ZPFKIMDFKWLDRS-ZWKOTPCHSA-N 2 2 358.486 0.977 20 0 FCADLP COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579687838 491702925 /nfs/dbraw/zinc/70/29/25/491702925.db2.gz ICOOYRLKAHABGJ-NSHDSACASA-N 2 2 366.418 0.597 20 0 FCADLP COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579687838 491702926 /nfs/dbraw/zinc/70/29/26/491702926.db2.gz ICOOYRLKAHABGJ-NSHDSACASA-N 2 2 366.418 0.597 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000580062322 491715277 /nfs/dbraw/zinc/71/52/77/491715277.db2.gz GESCNXNJDFJYAU-UKRRQHHQSA-N 2 2 350.488 0.588 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000584823854 491716059 /nfs/dbraw/zinc/71/60/59/491716059.db2.gz ORRBLVMLRXLZRH-WSTZPKSXSA-N 2 2 359.470 0.603 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000584823854 491716060 /nfs/dbraw/zinc/71/60/60/491716060.db2.gz ORRBLVMLRXLZRH-WSTZPKSXSA-N 2 2 359.470 0.603 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000584823854 491716061 /nfs/dbraw/zinc/71/60/61/491716061.db2.gz ORRBLVMLRXLZRH-WSTZPKSXSA-N 2 2 359.470 0.603 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000584823854 491716062 /nfs/dbraw/zinc/71/60/62/491716062.db2.gz ORRBLVMLRXLZRH-WSTZPKSXSA-N 2 2 359.470 0.603 20 0 FCADLP CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798988 493362818 /nfs/dbraw/zinc/36/28/18/493362818.db2.gz ZVTUQLPNDZALHV-HKUYNNGSSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798988 493362820 /nfs/dbraw/zinc/36/28/20/493362820.db2.gz ZVTUQLPNDZALHV-HKUYNNGSSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000580585391 491737294 /nfs/dbraw/zinc/73/72/94/491737294.db2.gz MLHQTWOCFSFAQD-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000580585391 491737296 /nfs/dbraw/zinc/73/72/96/491737296.db2.gz MLHQTWOCFSFAQD-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000589087195 491755060 /nfs/dbraw/zinc/75/50/60/491755060.db2.gz LPOGGQLRTWZDFZ-HNNXBMFYSA-N 2 2 368.547 0.625 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000589087195 491755062 /nfs/dbraw/zinc/75/50/62/491755062.db2.gz LPOGGQLRTWZDFZ-HNNXBMFYSA-N 2 2 368.547 0.625 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3n[nH]c(=O)[nH]3)CC2)CC1 ZINC000581022247 491755920 /nfs/dbraw/zinc/75/59/20/491755920.db2.gz PNNWKZPHEZBRTI-UHFFFAOYSA-N 2 2 364.494 0.755 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581185278 491762783 /nfs/dbraw/zinc/76/27/83/491762783.db2.gz PFZRHNJPHNPAKU-BVBHFADKSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000581185278 491762784 /nfs/dbraw/zinc/76/27/84/491762784.db2.gz PFZRHNJPHNPAKU-BVBHFADKSA-N 2 2 370.497 0.915 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1nccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000589642363 491764532 /nfs/dbraw/zinc/76/45/32/491764532.db2.gz ABZLEEHCJMRXIP-UHFFFAOYSA-N 2 2 367.500 0.780 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)nn1 ZINC000581485442 491774520 /nfs/dbraw/zinc/77/45/20/491774520.db2.gz VFUQGBXEBJOOHB-UHFFFAOYSA-N 2 2 372.473 0.854 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])ccn2)CC1 ZINC000581483366 491774615 /nfs/dbraw/zinc/77/46/15/491774615.db2.gz HTQIBXYVFLPHCQ-HUUCEWRRSA-N 2 2 360.462 0.861 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC(=O)NCc1ccco1 ZINC000590600170 491780855 /nfs/dbraw/zinc/78/08/55/491780855.db2.gz KLRFMYPOYMHHGD-OAHLLOKOSA-N 2 2 364.446 0.792 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC(=O)NCc1ccco1 ZINC000590600170 491780856 /nfs/dbraw/zinc/78/08/56/491780856.db2.gz KLRFMYPOYMHHGD-OAHLLOKOSA-N 2 2 364.446 0.792 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)[C@H](C)C1 ZINC000591285732 491800939 /nfs/dbraw/zinc/80/09/39/491800939.db2.gz DDDANDZCFFVQNJ-CYBMUJFWSA-N 2 2 362.430 0.180 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)[C@H](C)C1 ZINC000591285732 491800941 /nfs/dbraw/zinc/80/09/41/491800941.db2.gz DDDANDZCFFVQNJ-CYBMUJFWSA-N 2 2 362.430 0.180 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000591278480 491800995 /nfs/dbraw/zinc/80/09/95/491800995.db2.gz HSOYBWZAWGUVIY-CYBMUJFWSA-N 2 2 362.430 0.180 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582181779 491801629 /nfs/dbraw/zinc/80/16/29/491801629.db2.gz OTLBIENEUMRITC-KBMXLJTQSA-N 2 2 357.520 0.342 20 0 FCADLP COC(=O)c1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000591358705 491804143 /nfs/dbraw/zinc/80/41/43/491804143.db2.gz MYBXRGYUPXBPIS-HNNXBMFYSA-N 2 2 364.446 0.309 20 0 FCADLP COC(=O)c1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000591358705 491804145 /nfs/dbraw/zinc/80/41/45/491804145.db2.gz MYBXRGYUPXBPIS-HNNXBMFYSA-N 2 2 364.446 0.309 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000582251973 491804322 /nfs/dbraw/zinc/80/43/22/491804322.db2.gz PLKBYPDKPBMUST-RHSMWYFYSA-N 2 2 374.489 0.915 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000591600743 491810444 /nfs/dbraw/zinc/81/04/44/491810444.db2.gz MQYVZVUMNQIVFC-MLHJIOFPSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000591600743 491810446 /nfs/dbraw/zinc/81/04/46/491810446.db2.gz MQYVZVUMNQIVFC-MLHJIOFPSA-N 2 2 368.522 0.990 20 0 FCADLP [NH3+]C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000582484006 491814427 /nfs/dbraw/zinc/81/44/27/491814427.db2.gz BRVUXWKWMKFKDD-CQSZACIVSA-N 2 2 360.462 0.280 20 0 FCADLP [NH3+]C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000582484006 491814428 /nfs/dbraw/zinc/81/44/28/491814428.db2.gz BRVUXWKWMKFKDD-CQSZACIVSA-N 2 2 360.462 0.280 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537737 491816819 /nfs/dbraw/zinc/81/68/19/491816819.db2.gz CMZCGFWXJPAVCF-LSDHHAIUSA-N 2 2 363.462 0.022 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537737 491816821 /nfs/dbraw/zinc/81/68/21/491816821.db2.gz CMZCGFWXJPAVCF-LSDHHAIUSA-N 2 2 363.462 0.022 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000582554247 491817633 /nfs/dbraw/zinc/81/76/33/491817633.db2.gz HCQQSVWWPFCAIW-ZDUSSCGKSA-N 2 2 350.444 0.936 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000582554247 491817634 /nfs/dbraw/zinc/81/76/34/491817634.db2.gz HCQQSVWWPFCAIW-ZDUSSCGKSA-N 2 2 350.444 0.936 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000582655790 491821280 /nfs/dbraw/zinc/82/12/80/491821280.db2.gz HNJSNNJQBJZNDX-CGTJXYLNSA-N 3 2 363.481 0.803 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000582655790 491821281 /nfs/dbraw/zinc/82/12/81/491821281.db2.gz HNJSNNJQBJZNDX-CGTJXYLNSA-N 3 2 363.481 0.803 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000583013946 491836132 /nfs/dbraw/zinc/83/61/32/491836132.db2.gz ABIOWAARGJLGMU-HZPDHXFCSA-N 2 2 360.462 0.577 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000583013946 491836133 /nfs/dbraw/zinc/83/61/33/491836133.db2.gz ABIOWAARGJLGMU-HZPDHXFCSA-N 2 2 360.462 0.577 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000583264140 491841190 /nfs/dbraw/zinc/84/11/90/491841190.db2.gz MCEQFDLGEYDURJ-PMPSAXMXSA-N 2 2 357.520 0.344 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000583264140 491841191 /nfs/dbraw/zinc/84/11/91/491841191.db2.gz MCEQFDLGEYDURJ-PMPSAXMXSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000583270179 491841311 /nfs/dbraw/zinc/84/13/11/491841311.db2.gz AJWYUNYGGCENKO-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000583270179 491841312 /nfs/dbraw/zinc/84/13/12/491841312.db2.gz AJWYUNYGGCENKO-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839129 493366308 /nfs/dbraw/zinc/36/63/08/493366308.db2.gz WXEWVFKXEOJMHA-DOTOQJQBSA-N 2 2 358.490 0.730 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839129 493366311 /nfs/dbraw/zinc/36/63/11/493366311.db2.gz WXEWVFKXEOJMHA-DOTOQJQBSA-N 2 2 358.490 0.730 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000668502784 493366387 /nfs/dbraw/zinc/36/63/87/493366387.db2.gz HQIAIINKWKTQLV-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529219 491846900 /nfs/dbraw/zinc/84/69/00/491846900.db2.gz CJADFXPLDFSRNL-HZPDHXFCSA-N 2 2 361.490 0.798 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529219 491846901 /nfs/dbraw/zinc/84/69/01/491846901.db2.gz CJADFXPLDFSRNL-HZPDHXFCSA-N 2 2 361.490 0.798 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CCC2 ZINC000583587590 491848145 /nfs/dbraw/zinc/84/81/45/491848145.db2.gz SWKKPWITNJGABU-HOTGVXAUSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C)CCC2 ZINC000583587590 491848146 /nfs/dbraw/zinc/84/81/46/491848146.db2.gz SWKKPWITNJGABU-HOTGVXAUSA-N 2 2 361.490 0.984 20 0 FCADLP CCOC(=O)COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000583681493 491849982 /nfs/dbraw/zinc/84/99/82/491849982.db2.gz QVXAWCYPHCFCTM-AWEZNQCLSA-N 2 2 350.419 0.735 20 0 FCADLP CCOC(=O)COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000583681493 491849983 /nfs/dbraw/zinc/84/99/83/491849983.db2.gz QVXAWCYPHCFCTM-AWEZNQCLSA-N 2 2 350.419 0.735 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000583683299 491850031 /nfs/dbraw/zinc/85/00/31/491850031.db2.gz DXPASIOWOGYNEE-LSDHHAIUSA-N 2 2 362.478 0.214 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876007 491870000 /nfs/dbraw/zinc/87/00/00/491870000.db2.gz YODIPRCITKPXPD-IRXDYDNUSA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876007 491870001 /nfs/dbraw/zinc/87/00/01/491870001.db2.gz YODIPRCITKPXPD-IRXDYDNUSA-N 2 2 360.458 0.083 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)[nH+]c1 ZINC000594882556 491870966 /nfs/dbraw/zinc/87/09/66/491870966.db2.gz VSUBFYCMWZCRBM-JKSUJKDBSA-N 2 2 357.458 0.377 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720815 491878711 /nfs/dbraw/zinc/87/87/11/491878711.db2.gz ICCLFDVPLRWJEA-TUAOUCFPSA-N 2 2 351.369 0.610 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000600720815 491878712 /nfs/dbraw/zinc/87/87/12/491878712.db2.gz ICCLFDVPLRWJEA-TUAOUCFPSA-N 2 2 351.369 0.610 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000611985718 491888032 /nfs/dbraw/zinc/88/80/32/491888032.db2.gz CGBRZZDOQLXZMW-QGZVFWFLSA-N 2 2 360.458 0.684 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000601155671 491897709 /nfs/dbraw/zinc/89/77/09/491897709.db2.gz KVSVJSCJLGTJKM-CQSZACIVSA-N 2 2 363.462 0.447 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000601155671 491897710 /nfs/dbraw/zinc/89/77/10/491897710.db2.gz KVSVJSCJLGTJKM-CQSZACIVSA-N 2 2 363.462 0.447 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000612331469 491910860 /nfs/dbraw/zinc/91/08/60/491910860.db2.gz IRVWLUAIJITRKG-UHFFFAOYSA-N 2 2 360.506 0.939 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000601387114 491911239 /nfs/dbraw/zinc/91/12/39/491911239.db2.gz NRPBOTOURNQCRM-OAHLLOKOSA-N 2 2 361.508 0.371 20 0 FCADLP COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000601387114 491911243 /nfs/dbraw/zinc/91/12/43/491911243.db2.gz NRPBOTOURNQCRM-OAHLLOKOSA-N 2 2 361.508 0.371 20 0 FCADLP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472258 491925047 /nfs/dbraw/zinc/92/50/47/491925047.db2.gz GDGMNBITSRTPDG-HZPDHXFCSA-N 2 2 372.535 0.037 20 0 FCADLP CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472258 491925049 /nfs/dbraw/zinc/92/50/49/491925049.db2.gz GDGMNBITSRTPDG-HZPDHXFCSA-N 2 2 372.535 0.037 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000612548412 491932988 /nfs/dbraw/zinc/93/29/88/491932988.db2.gz NBSSHNNBCZXAKO-AEFFLSMTSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000612548412 491932990 /nfs/dbraw/zinc/93/29/90/491932990.db2.gz NBSSHNNBCZXAKO-AEFFLSMTSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000612549467 491933109 /nfs/dbraw/zinc/93/31/09/491933109.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000612549467 491933110 /nfs/dbraw/zinc/93/31/10/491933110.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000612549467 491933113 /nfs/dbraw/zinc/93/31/13/491933113.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000612549467 491933114 /nfs/dbraw/zinc/93/31/14/491933114.db2.gz ZFXKCHNZQRALRU-MRXNPFEDSA-N 3 2 367.538 0.071 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC(=O)NC1CCCC1 ZINC000595470709 491933739 /nfs/dbraw/zinc/93/37/39/491933739.db2.gz QOLCEKYFTJHRFN-MRXNPFEDSA-N 2 2 352.479 0.942 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC(=O)NC1CCCC1 ZINC000595470709 491933740 /nfs/dbraw/zinc/93/37/40/491933740.db2.gz QOLCEKYFTJHRFN-MRXNPFEDSA-N 2 2 352.479 0.942 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471863 491934863 /nfs/dbraw/zinc/93/48/63/491934863.db2.gz FQPWJFRCZLTUHY-HZPDHXFCSA-N 2 2 353.463 0.337 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471863 491934864 /nfs/dbraw/zinc/93/48/64/491934864.db2.gz FQPWJFRCZLTUHY-HZPDHXFCSA-N 2 2 353.463 0.337 20 0 FCADLP COC(=O)c1c(NCCn2cc[nH+]c2)ncnc1NCCn1cc[nH+]c1 ZINC000612653872 491942800 /nfs/dbraw/zinc/94/28/00/491942800.db2.gz NCMKVTYDSMIUND-UHFFFAOYSA-N 2 2 356.390 0.880 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3Cc4ccccc4C3=O)C2)CC1 ZINC000602196504 491967565 /nfs/dbraw/zinc/96/75/65/491967565.db2.gz VIBXUDJOUOYMJZ-INIZCTEOSA-N 2 2 356.470 0.927 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3Cc4ccccc4C3=O)C2)CC1 ZINC000602196504 491967567 /nfs/dbraw/zinc/96/75/67/491967567.db2.gz VIBXUDJOUOYMJZ-INIZCTEOSA-N 2 2 356.470 0.927 20 0 FCADLP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595977507 491967718 /nfs/dbraw/zinc/96/77/18/491967718.db2.gz LMMCVCQHBAVWAJ-NVXWUHKLSA-N 3 2 374.533 0.960 20 0 FCADLP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595977507 491967720 /nfs/dbraw/zinc/96/77/20/491967720.db2.gz LMMCVCQHBAVWAJ-NVXWUHKLSA-N 3 2 374.533 0.960 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)CC3CCCC3)C2)CC1 ZINC000602205196 491967914 /nfs/dbraw/zinc/96/79/14/491967914.db2.gz UUNUZBBBUGTUNG-INIZCTEOSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)CC3CCCC3)C2)CC1 ZINC000602205196 491967915 /nfs/dbraw/zinc/96/79/15/491967915.db2.gz UUNUZBBBUGTUNG-INIZCTEOSA-N 2 2 350.507 0.968 20 0 FCADLP CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202730 491968021 /nfs/dbraw/zinc/96/80/21/491968021.db2.gz QQJFAELLVRCXFF-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202730 491968023 /nfs/dbraw/zinc/96/80/23/491968023.db2.gz QQJFAELLVRCXFF-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000596033099 491972671 /nfs/dbraw/zinc/97/26/71/491972671.db2.gz IKFFLIBTGKZLMO-UHFFFAOYSA-N 2 2 357.458 1.529 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000613362440 491978919 /nfs/dbraw/zinc/97/89/19/491978919.db2.gz QSCUATDNHYXOAG-IBGZPJMESA-N 3 2 360.502 0.621 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000613362440 491978920 /nfs/dbraw/zinc/97/89/20/491978920.db2.gz QSCUATDNHYXOAG-IBGZPJMESA-N 2 2 360.502 0.621 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000613538673 491985411 /nfs/dbraw/zinc/98/54/11/491985411.db2.gz NTQRZYSDPIROHA-UHFFFAOYSA-N 2 2 354.476 0.559 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000602482244 491989226 /nfs/dbraw/zinc/98/92/26/491989226.db2.gz HXKGLBDGISQIQE-CQSZACIVSA-N 2 2 356.492 0.527 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000602482244 491989227 /nfs/dbraw/zinc/98/92/27/491989227.db2.gz HXKGLBDGISQIQE-CQSZACIVSA-N 2 2 356.492 0.527 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000602537250 491992353 /nfs/dbraw/zinc/99/23/53/491992353.db2.gz DAXIZJXALNYQTK-KRWDZBQOSA-N 2 2 374.485 0.521 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000602537250 491992354 /nfs/dbraw/zinc/99/23/54/491992354.db2.gz DAXIZJXALNYQTK-KRWDZBQOSA-N 2 2 374.485 0.521 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000596604722 491992474 /nfs/dbraw/zinc/99/24/74/491992474.db2.gz IFSYCWZVSUEBEF-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000596604722 491992475 /nfs/dbraw/zinc/99/24/75/491992475.db2.gz IFSYCWZVSUEBEF-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cc2c(c[nH+]1)OCCO2 ZINC000602647153 491994637 /nfs/dbraw/zinc/99/46/37/491994637.db2.gz HWUANAPMQOBSAA-UHFFFAOYSA-N 2 2 364.446 0.075 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613997394 492009175 /nfs/dbraw/zinc/00/91/75/492009175.db2.gz XWPYDESJVRLVOR-ROUUACIJSA-N 2 2 358.486 0.491 20 0 FCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000603269824 492022945 /nfs/dbraw/zinc/02/29/45/492022945.db2.gz SKKROUDJFNMWCC-HNNXBMFYSA-N 2 2 369.429 0.041 20 0 FCADLP COC(=O)c1ncoc1CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000597229288 492023587 /nfs/dbraw/zinc/02/35/87/492023587.db2.gz ZTHGHXPGKNDNRL-UHFFFAOYSA-N 2 2 366.462 0.878 20 0 FCADLP COC(=O)c1ncoc1CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000597229288 492023589 /nfs/dbraw/zinc/02/35/89/492023589.db2.gz ZTHGHXPGKNDNRL-UHFFFAOYSA-N 2 2 366.462 0.878 20 0 FCADLP CO[C@](C)(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000597344141 492031587 /nfs/dbraw/zinc/03/15/87/492031587.db2.gz IKQREZFEBDNHRJ-GOSISDBHSA-N 2 2 357.495 0.875 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c[nH]1 ZINC000603426639 492032339 /nfs/dbraw/zinc/03/23/39/492032339.db2.gz CNDPLMYSMNUVPE-MRXNPFEDSA-N 2 2 350.463 0.688 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](CNC(N)=O)C3)C2)CC1 ZINC000604209887 492054688 /nfs/dbraw/zinc/05/46/88/492054688.db2.gz ZBBIOXVCEXOTCW-CABCVRRESA-N 2 2 366.510 0.245 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](CNC(N)=O)C3)C2)CC1 ZINC000604209887 492054689 /nfs/dbraw/zinc/05/46/89/492054689.db2.gz ZBBIOXVCEXOTCW-CABCVRRESA-N 2 2 366.510 0.245 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](O)COCC3CC3)C2)CC1 ZINC000604207411 492055154 /nfs/dbraw/zinc/05/51/54/492055154.db2.gz DAABMTWRWRTCGC-WBVHZDCISA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](O)COCC3CC3)C2)CC1 ZINC000604207411 492055155 /nfs/dbraw/zinc/05/51/55/492055155.db2.gz DAABMTWRWRTCGC-WBVHZDCISA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)C3)ccn2)CC1 ZINC000615553367 492094545 /nfs/dbraw/zinc/09/45/45/492094545.db2.gz PUANXQWTWZHWIZ-SFHVURJKSA-N 2 2 373.501 0.770 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000599091500 492134554 /nfs/dbraw/zinc/13/45/54/492134554.db2.gz APYUMKVKOSUKLN-ZBFHGGJFSA-N 2 2 355.479 0.223 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000599091500 492134555 /nfs/dbraw/zinc/13/45/55/492134555.db2.gz APYUMKVKOSUKLN-ZBFHGGJFSA-N 2 2 355.479 0.223 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000608008065 492162272 /nfs/dbraw/zinc/16/22/72/492162272.db2.gz ATXAPHXSAMOCLX-UHFFFAOYSA-N 2 2 366.469 0.947 20 0 FCADLP COc1cc2[nH+]c(N[C@H](C)CN3CC[NH+](C)CC3)nc(N)c2cc1OC ZINC000599913925 492217057 /nfs/dbraw/zinc/21/70/57/492217057.db2.gz BZJNCPYPAIIJOW-GFCCVEGCSA-N 2 2 360.462 0.699 20 0 FCADLP CC(C)CN1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000618401266 492227875 /nfs/dbraw/zinc/22/78/75/492227875.db2.gz SVSSMIFAOZYJAK-INIZCTEOSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)CN1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000618401266 492227877 /nfs/dbraw/zinc/22/78/77/492227877.db2.gz SVSSMIFAOZYJAK-INIZCTEOSA-N 2 2 352.523 0.975 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000611588398 492290652 /nfs/dbraw/zinc/29/06/52/492290652.db2.gz CBCABNVJQXRBSP-CYBMUJFWSA-N 2 2 350.419 0.702 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000611588398 492290653 /nfs/dbraw/zinc/29/06/53/492290653.db2.gz CBCABNVJQXRBSP-CYBMUJFWSA-N 2 2 350.419 0.702 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCn3cc(CO)nn3)c2cc1C ZINC000647529658 492302777 /nfs/dbraw/zinc/30/27/77/492302777.db2.gz KOYSRFJGPDVXIQ-MRXNPFEDSA-N 2 2 358.446 0.778 20 0 FCADLP Cn1nnc2c1CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445700 492305034 /nfs/dbraw/zinc/30/50/34/492305034.db2.gz YPPHHHWKPOFICW-UONOGXRCSA-N 2 2 361.494 0.140 20 0 FCADLP Cn1nnc2c1CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445700 492305037 /nfs/dbraw/zinc/30/50/37/492305037.db2.gz YPPHHHWKPOFICW-UONOGXRCSA-N 2 2 361.494 0.140 20 0 FCADLP CCC(=O)N1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641786281 492305604 /nfs/dbraw/zinc/30/56/04/492305604.db2.gz KMILTLSZXVHADG-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000627471373 492310296 /nfs/dbraw/zinc/31/02/96/492310296.db2.gz MIEDUEUETUWXJC-INIZCTEOSA-N 2 2 363.462 0.007 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000654505720 492314339 /nfs/dbraw/zinc/31/43/39/492314339.db2.gz JNOURVOIQXGNPF-QGZVFWFLSA-N 2 2 368.547 0.484 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997260 492326827 /nfs/dbraw/zinc/32/68/27/492326827.db2.gz BBYOACVVGIMATM-UHFFFAOYSA-N 2 2 370.586 0.537 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997260 492326829 /nfs/dbraw/zinc/32/68/29/492326829.db2.gz BBYOACVVGIMATM-UHFFFAOYSA-N 2 2 370.586 0.537 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655071 492333675 /nfs/dbraw/zinc/33/36/75/492333675.db2.gz CKGJTCFIUJXCFE-UUAJXVIYSA-N 2 2 354.495 0.647 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655071 492333678 /nfs/dbraw/zinc/33/36/78/492333678.db2.gz CKGJTCFIUJXCFE-UUAJXVIYSA-N 2 2 354.495 0.647 20 0 FCADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655071 492333681 /nfs/dbraw/zinc/33/36/81/492333681.db2.gz CKGJTCFIUJXCFE-UUAJXVIYSA-N 2 2 354.495 0.647 20 0 FCADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655071 492333684 /nfs/dbraw/zinc/33/36/84/492333684.db2.gz CKGJTCFIUJXCFE-UUAJXVIYSA-N 2 2 354.495 0.647 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000634303052 492335955 /nfs/dbraw/zinc/33/59/55/492335955.db2.gz DTLOTZMCZXRWTJ-INIZCTEOSA-N 2 2 361.515 0.641 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000634303052 492335959 /nfs/dbraw/zinc/33/59/59/492335959.db2.gz DTLOTZMCZXRWTJ-INIZCTEOSA-N 2 2 361.515 0.641 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000642257066 492346499 /nfs/dbraw/zinc/34/64/99/492346499.db2.gz OMIUEZPFWGFYSZ-HIFRSBDPSA-N 2 2 364.515 0.808 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000642257066 492346501 /nfs/dbraw/zinc/34/65/01/492346501.db2.gz OMIUEZPFWGFYSZ-HIFRSBDPSA-N 2 2 364.515 0.808 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@H]21 ZINC000642327463 492350903 /nfs/dbraw/zinc/35/09/03/492350903.db2.gz CNEKLQYSCSOTLK-RCCFBDPRSA-N 2 2 356.470 0.704 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654781551 492351011 /nfs/dbraw/zinc/35/10/11/492351011.db2.gz HNPZQXYLFLXQPM-UHFFFAOYSA-N 3 2 350.511 0.543 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654781551 492351014 /nfs/dbraw/zinc/35/10/14/492351014.db2.gz HNPZQXYLFLXQPM-UHFFFAOYSA-N 3 2 350.511 0.543 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]1 ZINC000642337441 492351836 /nfs/dbraw/zinc/35/18/36/492351836.db2.gz CKYACYWLVDMOMJ-ZACQAIPSSA-N 2 2 366.506 0.202 20 0 FCADLP Cn1nc2c(cc1=O)C[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC000634644838 492357781 /nfs/dbraw/zinc/35/77/81/492357781.db2.gz BTSCOFQWPRTHBH-FQEVSTJZSA-N 2 2 354.454 0.775 20 0 FCADLP Cn1nc2c(cc1=O)C[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634644838 492357785 /nfs/dbraw/zinc/35/77/85/492357785.db2.gz BTSCOFQWPRTHBH-FQEVSTJZSA-N 2 2 354.454 0.775 20 0 FCADLP Cn1nc2c(cc1=O)C[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634644838 492357790 /nfs/dbraw/zinc/35/77/90/492357790.db2.gz BTSCOFQWPRTHBH-FQEVSTJZSA-N 2 2 354.454 0.775 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000627652923 492358639 /nfs/dbraw/zinc/35/86/39/492358639.db2.gz XVVSLDPQKYGXTP-IGOJGBNBSA-N 2 2 371.485 0.529 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])[nH+]c12 ZINC000642638916 492368092 /nfs/dbraw/zinc/36/80/92/492368092.db2.gz SPPRTFVUADEACC-HOCLYGCPSA-N 2 2 357.458 0.935 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000647836007 492369678 /nfs/dbraw/zinc/36/96/78/492369678.db2.gz YGRIEUZLUWXXIW-UHFFFAOYSA-N 2 2 360.441 0.674 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000647836007 492369682 /nfs/dbraw/zinc/36/96/82/492369682.db2.gz YGRIEUZLUWXXIW-UHFFFAOYSA-N 2 2 360.441 0.674 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000647835723 492370371 /nfs/dbraw/zinc/37/03/71/492370371.db2.gz KSTYPNVARIMCSC-AWEZNQCLSA-N 2 2 355.280 0.813 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000647835723 492370374 /nfs/dbraw/zinc/37/03/74/492370374.db2.gz KSTYPNVARIMCSC-AWEZNQCLSA-N 2 2 355.280 0.813 20 0 FCADLP O=C1CC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCN1 ZINC000634960816 492374247 /nfs/dbraw/zinc/37/42/47/492374247.db2.gz DBTJWVRQENRMNO-HOTGVXAUSA-N 2 2 374.489 0.540 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931242 492384411 /nfs/dbraw/zinc/38/44/11/492384411.db2.gz SYVBDCHOLVMFMX-WBVHZDCISA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931242 492384414 /nfs/dbraw/zinc/38/44/14/492384414.db2.gz SYVBDCHOLVMFMX-WBVHZDCISA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647971262 492388721 /nfs/dbraw/zinc/38/87/21/492388721.db2.gz DNRBNTBSCBTTOW-OWCLPIDISA-N 2 2 360.458 0.494 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647971262 492388723 /nfs/dbraw/zinc/38/87/23/492388723.db2.gz DNRBNTBSCBTTOW-OWCLPIDISA-N 2 2 360.458 0.494 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000627794569 492388874 /nfs/dbraw/zinc/38/88/74/492388874.db2.gz HKPRFNAOTPJALW-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000627794569 492388878 /nfs/dbraw/zinc/38/88/78/492388878.db2.gz HKPRFNAOTPJALW-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647971878 492388873 /nfs/dbraw/zinc/38/88/73/492388873.db2.gz XAQZGADSVFZZKN-GJZGRUSLSA-N 2 2 360.458 0.445 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647971878 492388876 /nfs/dbraw/zinc/38/88/76/492388876.db2.gz XAQZGADSVFZZKN-GJZGRUSLSA-N 2 2 360.458 0.445 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647971260 492389513 /nfs/dbraw/zinc/38/95/13/492389513.db2.gz DNRBNTBSCBTTOW-BZUAXINKSA-N 2 2 360.458 0.494 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647971260 492389514 /nfs/dbraw/zinc/38/95/14/492389514.db2.gz DNRBNTBSCBTTOW-BZUAXINKSA-N 2 2 360.458 0.494 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647976818 492390155 /nfs/dbraw/zinc/39/01/55/492390155.db2.gz UOZVEZVUEXBLAL-YESZJQIVSA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647976818 492390160 /nfs/dbraw/zinc/39/01/60/492390160.db2.gz UOZVEZVUEXBLAL-YESZJQIVSA-N 2 2 371.547 0.734 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978798 492390632 /nfs/dbraw/zinc/39/06/32/492390632.db2.gz YGMLSXZDCZVVFW-LVQVYYBASA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978798 492390634 /nfs/dbraw/zinc/39/06/34/492390634.db2.gz YGMLSXZDCZVVFW-LVQVYYBASA-N 2 2 357.520 0.390 20 0 FCADLP Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000647991149 492391241 /nfs/dbraw/zinc/39/12/41/492391241.db2.gz DCCZNONGIKFZSF-IAGOWNOFSA-N 2 2 360.506 0.451 20 0 FCADLP Cc1cc(N2CCC[C@@H]([NH+]3CCN(C[C@@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000647991149 492391246 /nfs/dbraw/zinc/39/12/46/492391246.db2.gz DCCZNONGIKFZSF-IAGOWNOFSA-N 2 2 360.506 0.451 20 0 FCADLP Cc1cc(N2CCC[C@H](N3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000647991151 492391575 /nfs/dbraw/zinc/39/15/75/492391575.db2.gz DCCZNONGIKFZSF-SJORKVTESA-N 2 2 360.506 0.451 20 0 FCADLP Cc1cc(N2CCC[C@H]([NH+]3CCN(C[C@@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000647991151 492391578 /nfs/dbraw/zinc/39/15/78/492391578.db2.gz DCCZNONGIKFZSF-SJORKVTESA-N 2 2 360.506 0.451 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071545 492397569 /nfs/dbraw/zinc/39/75/69/492397569.db2.gz HSLFVMMTJKCKSZ-UHFFFAOYSA-N 2 2 363.506 0.862 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071545 492397574 /nfs/dbraw/zinc/39/75/74/492397574.db2.gz HSLFVMMTJKCKSZ-UHFFFAOYSA-N 2 2 363.506 0.862 20 0 FCADLP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000621641618 492399000 /nfs/dbraw/zinc/39/90/00/492399000.db2.gz PQODGNYMIJBHTI-QGZVFWFLSA-N 2 2 350.507 0.923 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000642908965 492401684 /nfs/dbraw/zinc/40/16/84/492401684.db2.gz CTCDMJFGCSXOLR-HZPDHXFCSA-N 2 2 362.474 0.199 20 0 FCADLP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000642919595 492403849 /nfs/dbraw/zinc/40/38/49/492403849.db2.gz ALXIMZVWGRAPJN-UHFFFAOYSA-N 2 2 360.458 0.078 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000642981113 492410603 /nfs/dbraw/zinc/41/06/03/492410603.db2.gz UIJYCTMDXVNHRZ-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[C@H]3CCC[NH2+]C3)nc2)CC1 ZINC000643007151 492413863 /nfs/dbraw/zinc/41/38/63/492413863.db2.gz HJXFSVCWNREPNU-OAHLLOKOSA-N 2 2 367.519 0.819 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000621838352 492421530 /nfs/dbraw/zinc/42/15/30/492421530.db2.gz CJUZYMONBJISAJ-JEWRLFTDSA-N 2 2 364.490 0.086 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000621838997 492422074 /nfs/dbraw/zinc/42/20/74/492422074.db2.gz MEVPEYPPVAYUAU-KDOFPFPSSA-N 2 2 362.499 0.562 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000621838997 492422079 /nfs/dbraw/zinc/42/20/79/492422079.db2.gz MEVPEYPPVAYUAU-KDOFPFPSSA-N 2 2 362.499 0.562 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621839813 492422619 /nfs/dbraw/zinc/42/26/19/492422619.db2.gz ZCSIWLAWLBFWAH-YRNRMSPPSA-N 2 2 367.453 0.966 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000621840595 492423142 /nfs/dbraw/zinc/42/31/42/492423142.db2.gz KWERELXOZKDORY-KXBFYZLASA-N 2 2 357.458 0.638 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000643374363 492443128 /nfs/dbraw/zinc/44/31/28/492443128.db2.gz TYWAYXBBPHGHQZ-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000643374363 492443132 /nfs/dbraw/zinc/44/31/32/492443132.db2.gz TYWAYXBBPHGHQZ-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3CCCC(=O)N3)CC2)CC1 ZINC000643383013 492444022 /nfs/dbraw/zinc/44/40/22/492444022.db2.gz FZOQBVUBANOJMI-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H]3CCCC(=O)N3)CC2)CC1 ZINC000643383013 492444025 /nfs/dbraw/zinc/44/40/25/492444025.db2.gz FZOQBVUBANOJMI-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000622031620 492444879 /nfs/dbraw/zinc/44/48/79/492444879.db2.gz QLVUGWWJQRNOAG-BBTUJRGHSA-N 2 2 370.497 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000622031620 492444881 /nfs/dbraw/zinc/44/48/81/492444881.db2.gz QLVUGWWJQRNOAG-BBTUJRGHSA-N 2 2 370.497 0.712 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000628104347 492465197 /nfs/dbraw/zinc/46/51/97/492465197.db2.gz OTSWBXFFEBOANT-HNNXBMFYSA-N 2 2 370.409 0.995 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000628104347 492465202 /nfs/dbraw/zinc/46/52/02/492465202.db2.gz OTSWBXFFEBOANT-HNNXBMFYSA-N 2 2 370.409 0.995 20 0 FCADLP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000643454640 492467168 /nfs/dbraw/zinc/46/71/68/492467168.db2.gz YYUPPZAITRZGBO-IAGOWNOFSA-N 2 2 353.488 0.592 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550321 492469169 /nfs/dbraw/zinc/46/91/69/492469169.db2.gz UBBJQFAWSIJZMH-IKGGRYGDSA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550321 492469172 /nfs/dbraw/zinc/46/91/72/492469172.db2.gz UBBJQFAWSIJZMH-IKGGRYGDSA-N 2 2 368.522 0.450 20 0 FCADLP CN(C(=O)[C@@H]1CCCCN(C)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552964 492470248 /nfs/dbraw/zinc/47/02/48/492470248.db2.gz WTJDJVXIVNHGIY-IAGOWNOFSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C(=O)[C@@H]1CCCCN(C)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552964 492470252 /nfs/dbraw/zinc/47/02/52/492470252.db2.gz WTJDJVXIVNHGIY-IAGOWNOFSA-N 2 2 350.507 0.872 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC000643478498 492474118 /nfs/dbraw/zinc/47/41/18/492474118.db2.gz ZKXLBASMPMGWQI-YLJYHZDGSA-N 2 2 356.470 0.714 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@@H](c2ccccc2)C1 ZINC000643478498 492474122 /nfs/dbraw/zinc/47/41/22/492474122.db2.gz ZKXLBASMPMGWQI-YLJYHZDGSA-N 2 2 356.470 0.714 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000643477894 492474422 /nfs/dbraw/zinc/47/44/22/492474422.db2.gz MQKPRLFGSASYCI-HOCLYGCPSA-N 2 2 364.515 0.978 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000643478938 492475392 /nfs/dbraw/zinc/47/53/92/492475392.db2.gz SIYMKTZAAZGPGM-MRXNPFEDSA-N 2 2 360.458 0.207 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000635578163 492476160 /nfs/dbraw/zinc/47/61/60/492476160.db2.gz TZWWEWUGSHIXSX-CQSZACIVSA-N 2 2 368.503 0.189 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000635576691 492476311 /nfs/dbraw/zinc/47/63/11/492476311.db2.gz LNLAPLBGJSVPTM-OAHLLOKOSA-N 2 2 363.462 0.056 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655696987 492477721 /nfs/dbraw/zinc/47/77/21/492477721.db2.gz GNJMJQBMVKOVAJ-MRXNPFEDSA-N 2 2 353.488 0.938 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccnc1 ZINC000655734707 492477948 /nfs/dbraw/zinc/47/79/48/492477948.db2.gz MOGRUVQAILODEL-HNNXBMFYSA-N 2 2 354.476 0.203 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cn1 ZINC000622690075 492483502 /nfs/dbraw/zinc/48/35/02/492483502.db2.gz DIQOVYFXYRDCRW-UHFFFAOYSA-N 2 2 362.474 0.754 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000643513719 492486244 /nfs/dbraw/zinc/48/62/44/492486244.db2.gz FZRJZHDWVYSHJF-UONOGXRCSA-N 2 2 359.474 0.496 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643514604 492487160 /nfs/dbraw/zinc/48/71/60/492487160.db2.gz ZYDDMIWZLSOPKM-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643514604 492487163 /nfs/dbraw/zinc/48/71/63/492487163.db2.gz ZYDDMIWZLSOPKM-BHIYHBOVSA-N 2 2 370.497 0.930 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)cc[nH+]1 ZINC000643532337 492492042 /nfs/dbraw/zinc/49/20/42/492492042.db2.gz DPEDELDFBNKHBV-ARFHVFGLSA-N 2 2 372.473 0.019 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563216 492498858 /nfs/dbraw/zinc/49/88/58/492498858.db2.gz NOXJOJSUPCBVQF-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563216 492498863 /nfs/dbraw/zinc/49/88/63/492498863.db2.gz NOXJOJSUPCBVQF-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643591786 492501829 /nfs/dbraw/zinc/50/18/29/492501829.db2.gz KADCWSHRNBXLTL-HRCADAONSA-N 2 2 352.479 0.038 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000649274332 492517780 /nfs/dbraw/zinc/51/77/80/492517780.db2.gz DMZFSCSNLTWTJZ-JLSDUUJJSA-N 3 2 357.458 0.376 20 0 FCADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649279332 492518844 /nfs/dbraw/zinc/51/88/44/492518844.db2.gz GIUDUEFNFFNOTM-MRXNPFEDSA-N 2 2 356.430 0.897 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCCn1cncn1 ZINC000649286935 492522853 /nfs/dbraw/zinc/52/28/53/492522853.db2.gz OGDWGEQYHDRAJG-KRWDZBQOSA-N 2 2 353.430 0.599 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000623166785 492523568 /nfs/dbraw/zinc/52/35/68/492523568.db2.gz QLOQNGFLEYXXHZ-AWEZNQCLSA-N 2 2 362.430 0.742 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000623166785 492523573 /nfs/dbraw/zinc/52/35/73/492523573.db2.gz QLOQNGFLEYXXHZ-AWEZNQCLSA-N 2 2 362.430 0.742 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000628584683 492524818 /nfs/dbraw/zinc/52/48/18/492524818.db2.gz CJBNGNFRJXFPTP-SFHVURJKSA-N 2 2 374.485 0.588 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000628584683 492524824 /nfs/dbraw/zinc/52/48/24/492524824.db2.gz CJBNGNFRJXFPTP-SFHVURJKSA-N 2 2 374.485 0.588 20 0 FCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649325982 492534195 /nfs/dbraw/zinc/53/41/95/492534195.db2.gz NIBHMYCPCXJHLI-LSDHHAIUSA-N 2 2 353.488 0.816 20 0 FCADLP [NH3+]C1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)Cc2ccccc2C1 ZINC000649330803 492536475 /nfs/dbraw/zinc/53/64/75/492536475.db2.gz YGVUTTRKBVLXCX-UHFFFAOYSA-N 2 2 355.442 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(F)(F)[C@H](CO)C3)C2)CC1 ZINC000643717528 492540737 /nfs/dbraw/zinc/54/07/37/492540737.db2.gz QDRGJYHRHVZAGD-KBPBESRZSA-N 2 2 360.449 0.814 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(F)(F)[C@H](CO)C3)C2)CC1 ZINC000643717528 492540740 /nfs/dbraw/zinc/54/07/40/492540740.db2.gz QDRGJYHRHVZAGD-KBPBESRZSA-N 2 2 360.449 0.814 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649352181 492545644 /nfs/dbraw/zinc/54/56/44/492545644.db2.gz AMSYPPZEAWBNIH-HNNXBMFYSA-N 2 2 372.477 0.121 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649352877 492546620 /nfs/dbraw/zinc/54/66/20/492546620.db2.gz RTCJPGYQQYICQD-GOEBONIOSA-N 2 2 355.446 0.727 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000649410519 492551241 /nfs/dbraw/zinc/55/12/41/492551241.db2.gz GSOARMITEWNQSN-MAUKXSAKSA-N 2 2 362.474 0.505 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000649410648 492552838 /nfs/dbraw/zinc/55/28/38/492552838.db2.gz LUSYTHFEJVVFAZ-GDBMZVCRSA-N 2 2 352.504 0.440 20 0 FCADLP O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000649419532 492553785 /nfs/dbraw/zinc/55/37/85/492553785.db2.gz UKDJKBMDGBKGEW-XLIONFOSSA-N 2 2 372.513 0.819 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000643797196 492563072 /nfs/dbraw/zinc/56/30/72/492563072.db2.gz RRPIBQDKANVVEB-GRDNDAEWSA-N 2 2 368.478 0.726 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000643797196 492563074 /nfs/dbraw/zinc/56/30/74/492563074.db2.gz RRPIBQDKANVVEB-GRDNDAEWSA-N 2 2 368.478 0.726 20 0 FCADLP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636318318 492582303 /nfs/dbraw/zinc/58/23/03/492582303.db2.gz UFPLLCRKJFQXFG-SOLBZPMBSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636318318 492582305 /nfs/dbraw/zinc/58/23/05/492582305.db2.gz UFPLLCRKJFQXFG-SOLBZPMBSA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656310951 492584824 /nfs/dbraw/zinc/58/48/24/492584824.db2.gz GZQMVPCFURZJFV-YLFCFFPRSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656310951 492584826 /nfs/dbraw/zinc/58/48/26/492584826.db2.gz GZQMVPCFURZJFV-YLFCFFPRSA-N 2 2 366.506 0.345 20 0 FCADLP NC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000643861345 492586503 /nfs/dbraw/zinc/58/65/03/492586503.db2.gz DTSIBUHXESZTDK-QGZVFWFLSA-N 2 2 370.457 0.656 20 0 FCADLP NC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000643861345 492586508 /nfs/dbraw/zinc/58/65/08/492586508.db2.gz DTSIBUHXESZTDK-QGZVFWFLSA-N 2 2 370.457 0.656 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656324154 492592700 /nfs/dbraw/zinc/59/27/00/492592700.db2.gz MEAVMUZJCJNWSA-BRWVUGGUSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656324154 492592704 /nfs/dbraw/zinc/59/27/04/492592704.db2.gz MEAVMUZJCJNWSA-BRWVUGGUSA-N 2 2 371.485 0.910 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000623782789 492594016 /nfs/dbraw/zinc/59/40/16/492594016.db2.gz AQLNIZHAVBHSDT-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000623782789 492594019 /nfs/dbraw/zinc/59/40/19/492594019.db2.gz AQLNIZHAVBHSDT-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000623783754 492595218 /nfs/dbraw/zinc/59/52/18/492595218.db2.gz SWUKSKHKMAQEPP-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000623783754 492595220 /nfs/dbraw/zinc/59/52/20/492595220.db2.gz SWUKSKHKMAQEPP-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636475888 492596549 /nfs/dbraw/zinc/59/65/49/492596549.db2.gz FKZGQPVYSWRJQP-SFHVURJKSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636475888 492596554 /nfs/dbraw/zinc/59/65/54/492596554.db2.gz FKZGQPVYSWRJQP-SFHVURJKSA-N 2 2 354.495 0.386 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000636516610 492607538 /nfs/dbraw/zinc/60/75/38/492607538.db2.gz IBJKUSZXOXQONH-IBGZPJMESA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000636516610 492607542 /nfs/dbraw/zinc/60/75/42/492607542.db2.gz IBJKUSZXOXQONH-IBGZPJMESA-N 2 2 366.506 0.528 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000624104705 492620875 /nfs/dbraw/zinc/62/08/75/492620875.db2.gz FXOVBVAQUAFJRT-MOPGFXCFSA-N 2 2 358.486 0.612 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000624104705 492620879 /nfs/dbraw/zinc/62/08/79/492620879.db2.gz FXOVBVAQUAFJRT-MOPGFXCFSA-N 2 2 358.486 0.612 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623820 492641706 /nfs/dbraw/zinc/64/17/06/492641706.db2.gz GBQZNSHHDHHRBD-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623820 492641710 /nfs/dbraw/zinc/64/17/10/492641710.db2.gz GBQZNSHHDHHRBD-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000636623820 492641713 /nfs/dbraw/zinc/64/17/13/492641713.db2.gz GBQZNSHHDHHRBD-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000636623820 492641717 /nfs/dbraw/zinc/64/17/17/492641717.db2.gz GBQZNSHHDHHRBD-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000629558687 492644234 /nfs/dbraw/zinc/64/42/34/492644234.db2.gz LVGLJRZRPCVITA-KRWDZBQOSA-N 3 2 361.490 0.167 20 0 FCADLP O[C@@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629558667 492644601 /nfs/dbraw/zinc/64/46/01/492644601.db2.gz LSPKAMAUSBKRGX-IBGZPJMESA-N 3 2 363.502 0.944 20 0 FCADLP O[C@@H](C[NH2+]Cc1cccc(OCCN2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629558667 492644602 /nfs/dbraw/zinc/64/46/02/492644602.db2.gz LSPKAMAUSBKRGX-IBGZPJMESA-N 2 2 363.502 0.944 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563483 492645334 /nfs/dbraw/zinc/64/53/34/492645334.db2.gz QXXYBSWZBNPQHO-IHRRRGAJSA-N 3 2 350.429 0.998 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563483 492645335 /nfs/dbraw/zinc/64/53/35/492645335.db2.gz QXXYBSWZBNPQHO-IHRRRGAJSA-N 3 2 350.429 0.998 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563472 492645379 /nfs/dbraw/zinc/64/53/79/492645379.db2.gz QOVDIWJUFKEXGB-XQHKEYJVSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563472 492645382 /nfs/dbraw/zinc/64/53/82/492645382.db2.gz QOVDIWJUFKEXGB-XQHKEYJVSA-N 2 2 364.412 0.558 20 0 FCADLP NC(=O)C1CCN(c2ncccc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629559786 492645524 /nfs/dbraw/zinc/64/55/24/492645524.db2.gz NDPIDNYZDUEZHR-KRWDZBQOSA-N 2 2 361.490 0.330 20 0 FCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000629562155 492645779 /nfs/dbraw/zinc/64/57/79/492645779.db2.gz AMNQUOBTXNAMLP-UHFFFAOYSA-N 2 2 372.491 0.043 20 0 FCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000629562155 492645785 /nfs/dbraw/zinc/64/57/85/492645785.db2.gz AMNQUOBTXNAMLP-UHFFFAOYSA-N 2 2 372.491 0.043 20 0 FCADLP O=S(=O)(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000629570912 492648613 /nfs/dbraw/zinc/64/86/13/492648613.db2.gz DQJXJVOCJPXJPR-LLVKDONJSA-N 2 2 367.924 0.726 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000650561691 492651382 /nfs/dbraw/zinc/65/13/82/492651382.db2.gz WGIDPXUOIYTUQK-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650592653 492652203 /nfs/dbraw/zinc/65/22/03/492652203.db2.gz QJDQWRBVLMWAHN-RTBURBONSA-N 2 2 374.485 0.520 20 0 FCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650592653 492652206 /nfs/dbraw/zinc/65/22/06/492652206.db2.gz QJDQWRBVLMWAHN-RTBURBONSA-N 2 2 374.485 0.520 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644156992 492655359 /nfs/dbraw/zinc/65/53/59/492655359.db2.gz SDQIVCSFEIURFF-GJZGRUSLSA-N 2 2 362.478 0.254 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644156992 492655363 /nfs/dbraw/zinc/65/53/63/492655363.db2.gz SDQIVCSFEIURFF-GJZGRUSLSA-N 2 2 362.478 0.254 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650662399 492658666 /nfs/dbraw/zinc/65/86/66/492658666.db2.gz MCDPEHIBAOAAAJ-LJQANCHMSA-N 2 2 373.501 0.269 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650662399 492658670 /nfs/dbraw/zinc/65/86/70/492658670.db2.gz MCDPEHIBAOAAAJ-LJQANCHMSA-N 2 2 373.501 0.269 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000644194575 492665302 /nfs/dbraw/zinc/66/53/02/492665302.db2.gz GDKDCFDFMOQXFY-QGZVFWFLSA-N 2 2 360.458 0.715 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000650764912 492665720 /nfs/dbraw/zinc/66/57/20/492665720.db2.gz SDGHOWGPZJNXDJ-UHFFFAOYSA-N 2 2 372.510 0.087 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629784593 492671218 /nfs/dbraw/zinc/67/12/18/492671218.db2.gz QQMMPUJYBRSFAW-NEPJUHHUSA-N 2 2 350.385 0.136 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000629786347 492671400 /nfs/dbraw/zinc/67/14/00/492671400.db2.gz AVUXFJAOGLAVIX-UHFFFAOYSA-N 2 2 362.478 0.364 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000636732726 492675579 /nfs/dbraw/zinc/67/55/79/492675579.db2.gz KAGBATLZOOKRJD-LTIDMASMSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000636732726 492675580 /nfs/dbraw/zinc/67/55/80/492675580.db2.gz KAGBATLZOOKRJD-LTIDMASMSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000636732726 492675583 /nfs/dbraw/zinc/67/55/83/492675583.db2.gz KAGBATLZOOKRJD-LTIDMASMSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000636732726 492675588 /nfs/dbraw/zinc/67/55/88/492675588.db2.gz KAGBATLZOOKRJD-LTIDMASMSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000629802481 492679724 /nfs/dbraw/zinc/67/97/24/492679724.db2.gz INXFALBWQZLZHC-OYRHEFFESA-N 2 2 370.497 0.789 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000629815229 492685695 /nfs/dbraw/zinc/68/56/95/492685695.db2.gz QEHVPBDPNCRPKI-MRXNPFEDSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000629816426 492687436 /nfs/dbraw/zinc/68/74/36/492687436.db2.gz VSJISRWAIFIMKK-AEFFLSMTSA-N 2 2 373.501 0.743 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636788943 492693511 /nfs/dbraw/zinc/69/35/11/492693511.db2.gz CMYYUFVOOBFHIU-KSSFIOAISA-N 2 2 352.479 0.138 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636788943 492693512 /nfs/dbraw/zinc/69/35/12/492693512.db2.gz CMYYUFVOOBFHIU-KSSFIOAISA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636788943 492693514 /nfs/dbraw/zinc/69/35/14/492693514.db2.gz CMYYUFVOOBFHIU-KSSFIOAISA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636788943 492693515 /nfs/dbraw/zinc/69/35/15/492693515.db2.gz CMYYUFVOOBFHIU-KSSFIOAISA-N 2 2 352.479 0.138 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000651021097 492695457 /nfs/dbraw/zinc/69/54/57/492695457.db2.gz UXLITIMZDLYBEV-INIZCTEOSA-N 2 2 354.495 0.627 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000651021097 492695460 /nfs/dbraw/zinc/69/54/60/492695460.db2.gz UXLITIMZDLYBEV-INIZCTEOSA-N 2 2 354.495 0.627 20 0 FCADLP COc1cccc(OC)c1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091177 492715236 /nfs/dbraw/zinc/71/52/36/492715236.db2.gz JQCVSUYTQAPQRR-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP COc1cccc(OC)c1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091177 492715241 /nfs/dbraw/zinc/71/52/41/492715241.db2.gz JQCVSUYTQAPQRR-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CO2 ZINC000651231432 492725207 /nfs/dbraw/zinc/72/52/07/492725207.db2.gz JLMCGPLRKRWMEZ-QZTJIDSGSA-N 2 2 361.486 0.995 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921976 492729579 /nfs/dbraw/zinc/72/95/79/492729579.db2.gz OVZCRBSPWZESRO-IDHHARJASA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000636921976 492729582 /nfs/dbraw/zinc/72/95/82/492729582.db2.gz OVZCRBSPWZESRO-IDHHARJASA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636921976 492729587 /nfs/dbraw/zinc/72/95/87/492729587.db2.gz OVZCRBSPWZESRO-IDHHARJASA-N 2 2 366.506 0.384 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636921976 492729591 /nfs/dbraw/zinc/72/95/91/492729591.db2.gz OVZCRBSPWZESRO-IDHHARJASA-N 2 2 366.506 0.384 20 0 FCADLP Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3c[nH+]c4n3CCC4)CC2)cn1 ZINC000657375621 492749633 /nfs/dbraw/zinc/74/96/33/492749633.db2.gz ZTRSTXIWNOMDFN-UHFFFAOYSA-N 2 2 364.475 0.506 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000644446523 492756605 /nfs/dbraw/zinc/75/66/05/492756605.db2.gz COUZMJAZEIGEAT-KSZLIROESA-N 3 2 367.538 0.299 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CC1 ZINC000644446523 492756608 /nfs/dbraw/zinc/75/66/08/492756608.db2.gz COUZMJAZEIGEAT-KSZLIROESA-N 3 2 367.538 0.299 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657523321 492756715 /nfs/dbraw/zinc/75/67/15/492756715.db2.gz QIZUKFMEMJEDSB-UHFFFAOYSA-N 2 2 358.446 0.335 20 0 FCADLP C[NH+]1CCN(c2nc3ccccc3nc2N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000651451016 492760985 /nfs/dbraw/zinc/76/09/85/492760985.db2.gz JKFLWZDBXVUHSS-MRXNPFEDSA-N 2 2 368.485 0.637 20 0 FCADLP C[NH+]1CCN(c2nc3ccccc3nc2N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000651451016 492760990 /nfs/dbraw/zinc/76/09/90/492760990.db2.gz JKFLWZDBXVUHSS-MRXNPFEDSA-N 2 2 368.485 0.637 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637092708 492765474 /nfs/dbraw/zinc/76/54/74/492765474.db2.gz KKQFUJQEIMNQRI-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637092708 492765478 /nfs/dbraw/zinc/76/54/78/492765478.db2.gz KKQFUJQEIMNQRI-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2[nH+]1 ZINC000657679993 492776016 /nfs/dbraw/zinc/77/60/16/492776016.db2.gz HNAHXEYIGREEKV-OAHLLOKOSA-N 2 2 371.441 0.762 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2[nH+]1 ZINC000657733905 492785832 /nfs/dbraw/zinc/78/58/32/492785832.db2.gz SMGMZXSVSXNLGF-UHFFFAOYSA-N 2 2 355.402 0.978 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000644569132 492785946 /nfs/dbraw/zinc/78/59/46/492785946.db2.gz LJTNDLAOSDKNIE-OALUTQOASA-N 2 2 363.502 0.731 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000657744071 492789320 /nfs/dbraw/zinc/78/93/20/492789320.db2.gz HBFQCHUHMUGSHZ-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000657744071 492789323 /nfs/dbraw/zinc/78/93/23/492789323.db2.gz HBFQCHUHMUGSHZ-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP COCCc1ncc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000631076888 492797123 /nfs/dbraw/zinc/79/71/23/492797123.db2.gz RRLJMBSRWUGCOS-AWEZNQCLSA-N 2 2 368.503 0.355 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520710 492808488 /nfs/dbraw/zinc/80/84/88/492808488.db2.gz WHPQRPZQVPAWEJ-OXJNMPFZSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520710 492808492 /nfs/dbraw/zinc/80/84/92/492808492.db2.gz WHPQRPZQVPAWEJ-OXJNMPFZSA-N 2 2 362.518 0.968 20 0 FCADLP O=C([C@@H]1CC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000631302015 492810431 /nfs/dbraw/zinc/81/04/31/492810431.db2.gz ZYJYHTZOXREWLD-IYBDPMFKSA-N 2 2 354.414 0.573 20 0 FCADLP c1cnc(CC[NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cn1 ZINC000631534985 492822803 /nfs/dbraw/zinc/82/28/03/492822803.db2.gz RZDGZEAQAJOLPG-UHFFFAOYSA-N 2 2 355.446 0.468 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCCN1CCCCCC1=O ZINC000631886849 492870006 /nfs/dbraw/zinc/87/00/06/492870006.db2.gz KEDRLIYOFCGOEI-SJORKVTESA-N 2 2 350.507 0.969 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCCN1CCCCCC1=O ZINC000631886849 492870008 /nfs/dbraw/zinc/87/00/08/492870008.db2.gz KEDRLIYOFCGOEI-SJORKVTESA-N 2 2 350.507 0.969 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1[nH+]ccn1C ZINC000637816401 492870246 /nfs/dbraw/zinc/87/02/46/492870246.db2.gz ZZJBEGJKKPOQJB-IODNBUCRSA-N 2 2 361.446 0.108 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000658401464 492871168 /nfs/dbraw/zinc/87/11/68/492871168.db2.gz ZWLPZDYGFBZRLZ-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000637846081 492871620 /nfs/dbraw/zinc/87/16/20/492871620.db2.gz AUHQZHWHKWJTFZ-VRKREXBASA-N 2 2 363.462 0.294 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233403 492881728 /nfs/dbraw/zinc/88/17/28/492881728.db2.gz DRBNNCWMVQGXEH-GDBMZVCRSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000645233403 492881733 /nfs/dbraw/zinc/88/17/33/492881733.db2.gz DRBNNCWMVQGXEH-GDBMZVCRSA-N 2 2 365.522 0.854 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000645257210 492884962 /nfs/dbraw/zinc/88/49/62/492884962.db2.gz BGSAWJIRZIGPDA-QGZVFWFLSA-N 2 2 355.442 0.806 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000631921440 492885985 /nfs/dbraw/zinc/88/59/85/492885985.db2.gz GLCCSNRDRPJMJN-UHFFFAOYSA-N 2 2 368.503 0.438 20 0 FCADLP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000645265536 492886059 /nfs/dbraw/zinc/88/60/59/492886059.db2.gz KLZKZNIMFUZJTB-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658434477 492888742 /nfs/dbraw/zinc/88/87/42/492888742.db2.gz UOGGWDBQQVBMCA-UHFFFAOYSA-N 2 2 358.486 0.659 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645301641 492890773 /nfs/dbraw/zinc/89/07/73/492890773.db2.gz CWLRHLHYVYPTEI-HOCLYGCPSA-N 2 2 350.467 0.117 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645305441 492890938 /nfs/dbraw/zinc/89/09/38/492890938.db2.gz SDQKBCCCSWWUBJ-CVEARBPZSA-N 2 2 364.494 0.507 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638022617 492893360 /nfs/dbraw/zinc/89/33/60/492893360.db2.gz JWJSPUSMNFGXBB-UHFFFAOYSA-N 2 2 368.503 0.320 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000652223523 492896476 /nfs/dbraw/zinc/89/64/76/492896476.db2.gz HJRZNTUCZRXAGK-YESZJQIVSA-N 2 2 354.495 0.365 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000652225038 492896927 /nfs/dbraw/zinc/89/69/27/492896927.db2.gz NXCKZWLJDNFXGN-UHFFFAOYSA-N 2 2 350.463 0.636 20 0 FCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000638055310 492897287 /nfs/dbraw/zinc/89/72/87/492897287.db2.gz KJJJIZZOVBKLFC-FXAWDEMLSA-N 2 2 374.485 0.973 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625892443 492899381 /nfs/dbraw/zinc/89/93/81/492899381.db2.gz MQTCLABJWYQHLY-SDADXPQNSA-N 2 2 363.462 0.117 20 0 FCADLP C[NH+]1CCC2(CC1)CN(c1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)CCO2 ZINC000645385426 492901447 /nfs/dbraw/zinc/90/14/47/492901447.db2.gz VTHOTUFIYDWPRK-MRXNPFEDSA-N 2 2 361.490 0.986 20 0 FCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CN3CC[NH2+]CC3)CCCC2)no1 ZINC000638082689 492902648 /nfs/dbraw/zinc/90/26/48/492902648.db2.gz WKTCKQPELSLUQG-UHFFFAOYSA-N 2 2 364.494 0.702 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638091016 492903727 /nfs/dbraw/zinc/90/37/27/492903727.db2.gz NWZKLBDPQPVBSQ-NSHDSACASA-N 2 2 372.420 0.591 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCO1 ZINC000638091016 492903732 /nfs/dbraw/zinc/90/37/32/492903732.db2.gz NWZKLBDPQPVBSQ-NSHDSACASA-N 2 2 372.420 0.591 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652277127 492903786 /nfs/dbraw/zinc/90/37/86/492903786.db2.gz VWZXMPPVJXEFQR-HNNXBMFYSA-N 2 2 354.426 0.119 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000638108806 492908275 /nfs/dbraw/zinc/90/82/75/492908275.db2.gz AUDCQUBPFUXXFM-QGZVFWFLSA-N 2 2 373.457 0.732 20 0 FCADLP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638123276 492911542 /nfs/dbraw/zinc/91/15/42/492911542.db2.gz NLQQRMQGXHKJOO-WMLDXEAASA-N 2 2 355.442 0.955 20 0 FCADLP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638123276 492911547 /nfs/dbraw/zinc/91/15/47/492911547.db2.gz NLQQRMQGXHKJOO-WMLDXEAASA-N 2 2 355.442 0.955 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363321 492916358 /nfs/dbraw/zinc/91/63/58/492916358.db2.gz AYOLDGBJUKXCFZ-IXDOHACOSA-N 2 2 364.494 0.961 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363321 492916363 /nfs/dbraw/zinc/91/63/63/492916363.db2.gz AYOLDGBJUKXCFZ-IXDOHACOSA-N 2 2 364.494 0.961 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000652401213 492924173 /nfs/dbraw/zinc/92/41/73/492924173.db2.gz RQXRHXJDXRRLKT-XDNAFOTISA-N 2 2 351.491 0.713 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000652401213 492924178 /nfs/dbraw/zinc/92/41/78/492924178.db2.gz RQXRHXJDXRRLKT-XDNAFOTISA-N 2 2 351.491 0.713 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658533371 492933600 /nfs/dbraw/zinc/93/36/00/492933600.db2.gz RKYUKYYNDXXNTF-QGZVFWFLSA-N 2 2 374.485 0.928 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N(C)CC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000652463827 492939759 /nfs/dbraw/zinc/93/97/59/492939759.db2.gz XGCJSVDDOKULCQ-UHFFFAOYSA-N 2 2 374.489 0.378 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652471057 492942827 /nfs/dbraw/zinc/94/28/27/492942827.db2.gz RZJGOOYLOLWMJR-UHFFFAOYSA-N 2 2 373.501 0.983 20 0 FCADLP CO[C@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000638453585 492948284 /nfs/dbraw/zinc/94/82/84/492948284.db2.gz FYEAMRMEOSNUFV-IAGOWNOFSA-N 2 2 362.474 0.761 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632228933 492953634 /nfs/dbraw/zinc/95/36/34/492953634.db2.gz NOPSDGVHEHSKFN-UHFFFAOYSA-N 2 2 360.568 0.808 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638753353 492976764 /nfs/dbraw/zinc/97/67/64/492976764.db2.gz VZDYLFWADSHUTF-WTTBNOFXSA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638753353 492976768 /nfs/dbraw/zinc/97/67/68/492976768.db2.gz VZDYLFWADSHUTF-WTTBNOFXSA-N 2 2 364.494 0.563 20 0 FCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658639474 492988628 /nfs/dbraw/zinc/98/86/28/492988628.db2.gz FGPZHVJWQQBSLX-QGZVFWFLSA-N 2 2 368.522 0.500 20 0 FCADLP CNC(=O)[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000638977884 492989735 /nfs/dbraw/zinc/98/97/35/492989735.db2.gz XXBOTCMCGNYJGV-GOSISDBHSA-N 2 2 363.458 0.344 20 0 FCADLP CNC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000638977884 492989739 /nfs/dbraw/zinc/98/97/39/492989739.db2.gz XXBOTCMCGNYJGV-GOSISDBHSA-N 2 2 363.458 0.344 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652704170 492995762 /nfs/dbraw/zinc/99/57/62/492995762.db2.gz HAQHBXCAIHYJOT-KSZLIROESA-N 2 2 358.486 0.615 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652704170 492995765 /nfs/dbraw/zinc/99/57/65/492995765.db2.gz HAQHBXCAIHYJOT-KSZLIROESA-N 2 2 358.486 0.615 20 0 FCADLP Nc1nc(N)c(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000639160379 493001182 /nfs/dbraw/zinc/00/11/82/493001182.db2.gz CHKLVUXLGYZUME-GOSISDBHSA-N 2 2 367.501 0.694 20 0 FCADLP Nc1nc(N)c(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000639160379 493001186 /nfs/dbraw/zinc/00/11/86/493001186.db2.gz CHKLVUXLGYZUME-GOSISDBHSA-N 2 2 367.501 0.694 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009536 493001481 /nfs/dbraw/zinc/00/14/81/493001481.db2.gz QOUHUUWDLXXSJE-SUMWQHHRSA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009536 493001484 /nfs/dbraw/zinc/00/14/84/493001484.db2.gz QOUHUUWDLXXSJE-SUMWQHHRSA-N 2 2 368.428 0.487 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652724203 493004039 /nfs/dbraw/zinc/00/40/39/493004039.db2.gz YPRWDOTWQZWDKB-INIZCTEOSA-N 2 2 373.501 0.793 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000652724992 493004298 /nfs/dbraw/zinc/00/42/98/493004298.db2.gz UBYYENQZXJIKOB-UHFFFAOYSA-N 2 2 364.515 0.898 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)N1CCCCC1 ZINC000646103303 493012728 /nfs/dbraw/zinc/01/27/28/493012728.db2.gz AYJMEONKQGRQQL-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C(=O)N1CCCCC1 ZINC000646103303 493012730 /nfs/dbraw/zinc/01/27/30/493012730.db2.gz AYJMEONKQGRQQL-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000639484147 493013836 /nfs/dbraw/zinc/01/38/36/493013836.db2.gz HBLJJCDDTPDZBU-UHFFFAOYSA-N 2 2 374.551 0.331 20 0 FCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000639484147 493013838 /nfs/dbraw/zinc/01/38/38/493013838.db2.gz HBLJJCDDTPDZBU-UHFFFAOYSA-N 2 2 374.551 0.331 20 0 FCADLP CCN1C(=O)[C@H]2C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513727 493014832 /nfs/dbraw/zinc/01/48/32/493014832.db2.gz INVODKJPQDTISI-XLIONFOSSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513727 493014836 /nfs/dbraw/zinc/01/48/36/493014836.db2.gz INVODKJPQDTISI-XLIONFOSSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@H]2C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513727 493014839 /nfs/dbraw/zinc/01/48/39/493014839.db2.gz INVODKJPQDTISI-XLIONFOSSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@H]2C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513727 493014840 /nfs/dbraw/zinc/01/48/40/493014840.db2.gz INVODKJPQDTISI-XLIONFOSSA-N 2 2 372.469 0.592 20 0 FCADLP C[NH+](C)C[C@H](CO)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000646210782 493027773 /nfs/dbraw/zinc/02/77/73/493027773.db2.gz HHTFHEAFJSGUSV-MRXNPFEDSA-N 2 2 359.430 0.564 20 0 FCADLP C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H](CO)C1 ZINC000639870272 493061966 /nfs/dbraw/zinc/06/19/66/493061966.db2.gz FEFPVOKKMCATLX-INIZCTEOSA-N 2 2 352.504 0.001 20 0 FCADLP C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H](CO)C1 ZINC000639870272 493061971 /nfs/dbraw/zinc/06/19/71/493061971.db2.gz FEFPVOKKMCATLX-INIZCTEOSA-N 2 2 352.504 0.001 20 0 FCADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000626919792 493062688 /nfs/dbraw/zinc/06/26/88/493062688.db2.gz NWGLXRHGIMBORS-KGLIPLIRSA-N 2 2 354.476 0.409 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000626924581 493063282 /nfs/dbraw/zinc/06/32/82/493063282.db2.gz AOLGRSKZZLHCMC-QZTJIDSGSA-N 2 2 362.474 0.656 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000653060827 493065237 /nfs/dbraw/zinc/06/52/37/493065237.db2.gz TXJCLYZMPYYPPD-AWEZNQCLSA-N 2 2 356.492 0.981 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000653064511 493065580 /nfs/dbraw/zinc/06/55/80/493065580.db2.gz XRIVVCBXUXQWTQ-HNNXBMFYSA-N 2 2 352.866 0.903 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br ZINC000653098332 493069848 /nfs/dbraw/zinc/06/98/48/493069848.db2.gz KCIQHJCQOYLQIN-AAEUAGOBSA-N 2 2 374.279 0.584 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000653103794 493070591 /nfs/dbraw/zinc/07/05/91/493070591.db2.gz SELOXSJZBXYIOS-OAHLLOKOSA-N 2 2 352.866 0.790 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c[nH+]2)C[C@H](C)O1 ZINC000653108621 493071688 /nfs/dbraw/zinc/07/16/88/493071688.db2.gz BURHSTJFKPBOFF-MVWRLGRASA-N 2 2 360.458 0.547 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000653111368 493071903 /nfs/dbraw/zinc/07/19/03/493071903.db2.gz NIPOXLSKXCYROT-LISAXSMJSA-N 2 2 368.522 0.483 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000653113864 493072400 /nfs/dbraw/zinc/07/24/00/493072400.db2.gz QMHBKLTZGBCQCG-IAGOWNOFSA-N 2 2 352.454 0.594 20 0 FCADLP CN(CCOCC[NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000626976099 493073068 /nfs/dbraw/zinc/07/30/68/493073068.db2.gz OYVPESGRTNLYQS-GOSISDBHSA-N 2 2 364.490 0.547 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000653151660 493078227 /nfs/dbraw/zinc/07/82/27/493078227.db2.gz NHUGVWCDTPDIAO-CQSZACIVSA-N 2 2 366.510 0.680 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000653155400 493078980 /nfs/dbraw/zinc/07/89/80/493078980.db2.gz RVZUXKIOTDXDDU-UONOGXRCSA-N 2 2 356.829 0.980 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000640050952 493079779 /nfs/dbraw/zinc/07/97/79/493079779.db2.gz AJDFOQOAFKVTMJ-UHFFFAOYSA-N 2 2 352.523 0.977 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000640050952 493079782 /nfs/dbraw/zinc/07/97/82/493079782.db2.gz AJDFOQOAFKVTMJ-UHFFFAOYSA-N 2 2 352.523 0.977 20 0 FCADLP C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653161114 493079823 /nfs/dbraw/zinc/07/98/23/493079823.db2.gz DITQLMMJHPWHSX-HIFRSBDPSA-N 2 2 356.492 0.139 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1=O ZINC000653201920 493082583 /nfs/dbraw/zinc/08/25/83/493082583.db2.gz BKFYZZAQWLRHAV-GVDBMIGSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1=O ZINC000653201920 493082586 /nfs/dbraw/zinc/08/25/86/493082586.db2.gz BKFYZZAQWLRHAV-GVDBMIGSSA-N 2 2 358.486 0.928 20 0 FCADLP O=C1C[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653279999 493088723 /nfs/dbraw/zinc/08/87/23/493088723.db2.gz SMQJIJLCFKQBAI-HOTGVXAUSA-N 2 2 357.458 0.331 20 0 FCADLP O=C1C[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653279999 493088729 /nfs/dbraw/zinc/08/87/29/493088729.db2.gz SMQJIJLCFKQBAI-HOTGVXAUSA-N 2 2 357.458 0.331 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627184826 493103736 /nfs/dbraw/zinc/10/37/36/493103736.db2.gz YICWMUMEIZNVEY-QGZVFWFLSA-N 2 2 362.474 0.819 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000633038187 493108783 /nfs/dbraw/zinc/10/87/83/493108783.db2.gz ONBZQOWVLQQKLB-GOEBONIOSA-N 2 2 359.474 0.321 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000633038444 493108887 /nfs/dbraw/zinc/10/88/87/493108887.db2.gz ONBZQOWVLQQKLB-ZBFHGGJFSA-N 2 2 359.474 0.321 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)[C@@H](C[NH3+])C1 ZINC000646835655 493109500 /nfs/dbraw/zinc/10/95/00/493109500.db2.gz YVFWYBJNQRPSQY-LBPRGKRZSA-N 2 2 352.822 0.739 20 0 FCADLP C[N@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)[C@@H](C[NH3+])C1 ZINC000646835655 493109506 /nfs/dbraw/zinc/10/95/06/493109506.db2.gz YVFWYBJNQRPSQY-LBPRGKRZSA-N 2 2 352.822 0.739 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633077164 493115942 /nfs/dbraw/zinc/11/59/42/493115942.db2.gz SDTOGCVZFQPYOH-INIZCTEOSA-N 2 2 358.490 0.831 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633077164 493115943 /nfs/dbraw/zinc/11/59/43/493115943.db2.gz SDTOGCVZFQPYOH-INIZCTEOSA-N 2 2 358.490 0.831 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000646876241 493116708 /nfs/dbraw/zinc/11/67/08/493116708.db2.gz WHPHPFSCAYXDDQ-HOTGVXAUSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C[NH3+] ZINC000633090869 493121568 /nfs/dbraw/zinc/12/15/68/493121568.db2.gz XLVVGVMFLMPXFA-NUJGCVRESA-N 2 2 358.486 0.773 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C[NH3+] ZINC000633090869 493121570 /nfs/dbraw/zinc/12/15/70/493121570.db2.gz XLVVGVMFLMPXFA-NUJGCVRESA-N 2 2 358.486 0.773 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259660 493122068 /nfs/dbraw/zinc/12/20/68/493122068.db2.gz XHBHHQHJWCPJRE-PMACEKPBSA-N 2 2 372.513 0.715 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]([N@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259660 493122071 /nfs/dbraw/zinc/12/20/71/493122071.db2.gz XHBHHQHJWCPJRE-PMACEKPBSA-N 2 2 372.513 0.715 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000646971152 493136564 /nfs/dbraw/zinc/13/65/64/493136564.db2.gz HNFXWRGKGPMPOK-HUUCEWRRSA-N 2 2 350.463 0.941 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000646971152 493136567 /nfs/dbraw/zinc/13/65/67/493136567.db2.gz HNFXWRGKGPMPOK-HUUCEWRRSA-N 2 2 350.463 0.941 20 0 FCADLP [NH3+]CCc1cn(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)nn1 ZINC000640875974 493144136 /nfs/dbraw/zinc/14/41/36/493144136.db2.gz GGPKHPNVOIJIDR-UHFFFAOYSA-N 2 2 362.865 0.777 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000647034990 493150288 /nfs/dbraw/zinc/15/02/88/493150288.db2.gz NQHZRTWFSABRIE-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000627323883 493152860 /nfs/dbraw/zinc/15/28/60/493152860.db2.gz JVDJLNKTRJHODI-UHFFFAOYSA-N 2 2 363.462 0.122 20 0 FCADLP C[N@H+](CCO)Cc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952455 493153339 /nfs/dbraw/zinc/15/33/39/493153339.db2.gz BHJCPOUUOXANKL-UHFFFAOYSA-N 2 2 372.473 0.047 20 0 FCADLP C[N@@H+](CCO)Cc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952455 493153342 /nfs/dbraw/zinc/15/33/42/493153342.db2.gz BHJCPOUUOXANKL-UHFFFAOYSA-N 2 2 372.473 0.047 20 0 FCADLP [NH3+]C[C@@H](O)CCc1cn(Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000640957329 493154128 /nfs/dbraw/zinc/15/41/28/493154128.db2.gz COBSVYCMNGOPRA-ZDUSSCGKSA-N 2 2 365.235 0.989 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000659133324 493162597 /nfs/dbraw/zinc/16/25/97/493162597.db2.gz SESPUQJEUBHSBK-CQSZACIVSA-N 2 2 363.462 0.378 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000659133324 493162600 /nfs/dbraw/zinc/16/26/00/493162600.db2.gz SESPUQJEUBHSBK-CQSZACIVSA-N 2 2 363.462 0.378 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000627357752 493174991 /nfs/dbraw/zinc/17/49/91/493174991.db2.gz PEBREANIEOAFDT-HUUCEWRRSA-N 2 2 352.504 0.923 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000633694795 493182898 /nfs/dbraw/zinc/18/28/98/493182898.db2.gz QPWTUFPQWXCLGE-UHFFFAOYSA-N 2 2 351.491 0.955 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345069 493194922 /nfs/dbraw/zinc/19/49/22/493194922.db2.gz WOOWQXWEOHPWTP-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345069 493194929 /nfs/dbraw/zinc/19/49/29/493194929.db2.gz WOOWQXWEOHPWTP-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC(=O)N1C ZINC000659529602 493206217 /nfs/dbraw/zinc/20/62/17/493206217.db2.gz LFIYKHKOKVLNSQ-YEWWUXTCSA-N 2 2 362.478 0.771 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000666619014 493208567 /nfs/dbraw/zinc/20/85/67/493208567.db2.gz AKFQVHAZMQJKDD-ZDUSSCGKSA-N 2 2 355.464 0.044 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000666619014 493208570 /nfs/dbraw/zinc/20/85/70/493208570.db2.gz AKFQVHAZMQJKDD-ZDUSSCGKSA-N 2 2 355.464 0.044 20 0 FCADLP COC[C@]1(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC[NH2+]1 ZINC000659542047 493209604 /nfs/dbraw/zinc/20/96/04/493209604.db2.gz NDHGMSOGIHWHDZ-GOSISDBHSA-N 2 2 354.495 0.509 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1C ZINC000672593313 493211780 /nfs/dbraw/zinc/21/17/80/493211780.db2.gz KOXLIDFLCFSZTN-LSDHHAIUSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000672593313 493211783 /nfs/dbraw/zinc/21/17/83/493211783.db2.gz KOXLIDFLCFSZTN-LSDHHAIUSA-N 2 2 364.515 0.991 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637993 493220910 /nfs/dbraw/zinc/22/09/10/493220910.db2.gz BYHZQWXCRYFUNG-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637993 493220914 /nfs/dbraw/zinc/22/09/14/493220914.db2.gz BYHZQWXCRYFUNG-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP C[C@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639926 493221533 /nfs/dbraw/zinc/22/15/33/493221533.db2.gz PBBIUNZHSQIZOG-UONOGXRCSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@H]1CSCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639926 493221536 /nfs/dbraw/zinc/22/15/36/493221536.db2.gz PBBIUNZHSQIZOG-UONOGXRCSA-N 2 2 354.520 0.235 20 0 FCADLP CCc1cnccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639162 493222174 /nfs/dbraw/zinc/22/21/74/493222174.db2.gz JBAIARQWAGTDAY-KRWDZBQOSA-N 2 2 373.501 0.545 20 0 FCADLP CCc1cnccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639162 493222175 /nfs/dbraw/zinc/22/21/75/493222175.db2.gz JBAIARQWAGTDAY-KRWDZBQOSA-N 2 2 373.501 0.545 20 0 FCADLP Cc1occc1CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638521 493222881 /nfs/dbraw/zinc/22/28/81/493222881.db2.gz SKNSFURUVZRFAT-INIZCTEOSA-N 2 2 362.474 0.831 20 0 FCADLP Cc1occc1CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638521 493222882 /nfs/dbraw/zinc/22/28/82/493222882.db2.gz SKNSFURUVZRFAT-INIZCTEOSA-N 2 2 362.474 0.831 20 0 FCADLP CCCN(CC(C)(C)O)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640712 493223291 /nfs/dbraw/zinc/22/32/91/493223291.db2.gz GYHKJRUFHBRLFC-OAHLLOKOSA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CC(C)(C)O)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640712 493223294 /nfs/dbraw/zinc/22/32/94/493223294.db2.gz GYHKJRUFHBRLFC-OAHLLOKOSA-N 2 2 368.522 0.281 20 0 FCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640411 493223334 /nfs/dbraw/zinc/22/33/34/493223334.db2.gz CSKMCTWIBLUCGS-HNNXBMFYSA-N 2 2 366.506 0.035 20 0 FCADLP CN(CC1(O)CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640411 493223337 /nfs/dbraw/zinc/22/33/37/493223337.db2.gz CSKMCTWIBLUCGS-HNNXBMFYSA-N 2 2 366.506 0.035 20 0 FCADLP COC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640791 493223398 /nfs/dbraw/zinc/22/33/98/493223398.db2.gz AJGRRRXWHRMWCG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP COC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640791 493223401 /nfs/dbraw/zinc/22/34/01/493223401.db2.gz AJGRRRXWHRMWCG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3CCO)C2)CC1 ZINC000672641360 493224033 /nfs/dbraw/zinc/22/40/33/493224033.db2.gz QHLFOXBCTJTEAR-NVXWUHKLSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3CCO)C2)CC1 ZINC000672641360 493224037 /nfs/dbraw/zinc/22/40/37/493224037.db2.gz QHLFOXBCTJTEAR-NVXWUHKLSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H]1CCSCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641135 493224371 /nfs/dbraw/zinc/22/43/71/493224371.db2.gz NGUIILHYGLPEKL-LSDHHAIUSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@H]1CCSCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641135 493224375 /nfs/dbraw/zinc/22/43/75/493224375.db2.gz NGUIILHYGLPEKL-LSDHHAIUSA-N 2 2 368.547 0.625 20 0 FCADLP COC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640793 493224602 /nfs/dbraw/zinc/22/46/02/493224602.db2.gz AJGRRRXWHRMWCG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP COC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640793 493224605 /nfs/dbraw/zinc/22/46/05/493224605.db2.gz AJGRRRXWHRMWCG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](c1ccncc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641608 493226604 /nfs/dbraw/zinc/22/66/04/493226604.db2.gz UNJZVLXOJIGFJR-NVXWUHKLSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1ccncc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641608 493226608 /nfs/dbraw/zinc/22/66/08/493226608.db2.gz UNJZVLXOJIGFJR-NVXWUHKLSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000672643368 493228442 /nfs/dbraw/zinc/22/84/42/493228442.db2.gz WMUWLCFAFYYRCN-KFWWJZLASA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000672643368 493228443 /nfs/dbraw/zinc/22/84/43/493228443.db2.gz WMUWLCFAFYYRCN-KFWWJZLASA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1SCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672643016 493228465 /nfs/dbraw/zinc/22/84/65/493228465.db2.gz MRULCQPPPKIILL-KKUMJFAQSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1SCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672643016 493228467 /nfs/dbraw/zinc/22/84/67/493228467.db2.gz MRULCQPPPKIILL-KKUMJFAQSA-N 2 2 368.547 0.624 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672692597 493233340 /nfs/dbraw/zinc/23/33/40/493233340.db2.gz GIQGTRPKVIEZMC-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641497172 493246550 /nfs/dbraw/zinc/24/65/50/493246550.db2.gz OZPVRCFSLRFOAI-UHFFFAOYSA-N 2 2 367.475 0.728 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000672766268 493246984 /nfs/dbraw/zinc/24/69/84/493246984.db2.gz PRQJEBOUHBFBIO-HNNXBMFYSA-N 2 2 369.469 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000672766268 493246987 /nfs/dbraw/zinc/24/69/87/493246987.db2.gz PRQJEBOUHBFBIO-HNNXBMFYSA-N 2 2 369.469 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000672766269 493247697 /nfs/dbraw/zinc/24/76/97/493247697.db2.gz PRQJEBOUHBFBIO-OAHLLOKOSA-N 2 2 369.469 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000672766269 493247701 /nfs/dbraw/zinc/24/77/01/493247701.db2.gz PRQJEBOUHBFBIO-OAHLLOKOSA-N 2 2 369.469 0.902 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000667044403 493253974 /nfs/dbraw/zinc/25/39/74/493253974.db2.gz FYODKWFOYYWZMY-CPUCHLNUSA-N 2 2 350.488 0.848 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000672848965 493257806 /nfs/dbraw/zinc/25/78/06/493257806.db2.gz FJLCEJXMIIPRLZ-BLLLJJGKSA-N 2 2 358.446 0.775 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659699593 493260566 /nfs/dbraw/zinc/26/05/66/493260566.db2.gz YUBQXFVZOIGSJA-DOTOQJQBSA-N 2 2 366.506 0.062 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c2ccccc2)CC1 ZINC000682012675 493263606 /nfs/dbraw/zinc/26/36/06/493263606.db2.gz XENJZXMYUKSQCU-IBGZPJMESA-N 2 2 374.529 0.890 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c2ccccc2)CC1 ZINC000682012675 493263608 /nfs/dbraw/zinc/26/36/08/493263608.db2.gz XENJZXMYUKSQCU-IBGZPJMESA-N 2 2 374.529 0.890 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659716716 493269508 /nfs/dbraw/zinc/26/95/08/493269508.db2.gz BYJLNYXQBLBCNR-HOCLYGCPSA-N 2 2 359.474 0.932 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000667264318 493269951 /nfs/dbraw/zinc/26/99/51/493269951.db2.gz JKDRBPKHSYKWER-GOSISDBHSA-N 2 2 373.501 0.631 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000659727251 493274777 /nfs/dbraw/zinc/27/47/77/493274777.db2.gz JNJWHLKNYVFGFP-HYVNUMGLSA-N 2 2 371.485 0.802 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000641668864 493274903 /nfs/dbraw/zinc/27/49/03/493274903.db2.gz QOSJNZDNCHKGJZ-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000641668864 493274904 /nfs/dbraw/zinc/27/49/04/493274904.db2.gz QOSJNZDNCHKGJZ-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000667336512 493277127 /nfs/dbraw/zinc/27/71/27/493277127.db2.gz GZDNVZUDMQDBHI-UHFFFAOYSA-N 2 2 365.522 0.700 20 0 FCADLP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659735348 493278507 /nfs/dbraw/zinc/27/85/07/493278507.db2.gz RYVSJNDSUOWXJF-INIZCTEOSA-N 3 2 365.522 0.001 20 0 FCADLP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659735348 493278510 /nfs/dbraw/zinc/27/85/10/493278510.db2.gz RYVSJNDSUOWXJF-INIZCTEOSA-N 3 2 365.522 0.001 20 0 FCADLP Cc1ncccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682227193 493280747 /nfs/dbraw/zinc/28/07/47/493280747.db2.gz JMVAQDHGMFQAOR-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ncccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682227193 493280749 /nfs/dbraw/zinc/28/07/49/493280749.db2.gz JMVAQDHGMFQAOR-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000682227529 493280770 /nfs/dbraw/zinc/28/07/70/493280770.db2.gz UCEZJKUKGQATDQ-HNNXBMFYSA-N 2 2 362.478 0.294 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000682227529 493280772 /nfs/dbraw/zinc/28/07/72/493280772.db2.gz UCEZJKUKGQATDQ-HNNXBMFYSA-N 2 2 362.478 0.294 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)c1cc(C(=O)NCCn2cc[nH+]c2C)[nH]n1 ZINC000667662604 493295234 /nfs/dbraw/zinc/29/52/34/493295234.db2.gz PDOUFLKHLFSDGJ-UHFFFAOYSA-N 2 2 370.417 0.280 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000659911490 493302161 /nfs/dbraw/zinc/30/21/61/493302161.db2.gz HCROUSHBFMPDOY-IBGZPJMESA-N 3 2 368.566 0.954 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000659911490 493302163 /nfs/dbraw/zinc/30/21/63/493302163.db2.gz HCROUSHBFMPDOY-IBGZPJMESA-N 3 2 368.566 0.954 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000673286555 493312289 /nfs/dbraw/zinc/31/22/89/493312289.db2.gz UQPVAUKNPPTSEY-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000673286555 493312292 /nfs/dbraw/zinc/31/22/92/493312292.db2.gz UQPVAUKNPPTSEY-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000673286555 493312293 /nfs/dbraw/zinc/31/22/93/493312293.db2.gz UQPVAUKNPPTSEY-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000673286555 493312296 /nfs/dbraw/zinc/31/22/96/493312296.db2.gz UQPVAUKNPPTSEY-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302431 493315200 /nfs/dbraw/zinc/31/52/00/493315200.db2.gz XPXQHSLYKBTVKJ-HZPDHXFCSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302431 493315203 /nfs/dbraw/zinc/31/52/03/493315203.db2.gz XPXQHSLYKBTVKJ-HZPDHXFCSA-N 2 2 359.474 0.575 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000673303752 493315379 /nfs/dbraw/zinc/31/53/79/493315379.db2.gz OMNWWSUHDQNJLN-ZACQAIPSSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000673303752 493315382 /nfs/dbraw/zinc/31/53/82/493315382.db2.gz OMNWWSUHDQNJLN-ZACQAIPSSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000673303751 493315665 /nfs/dbraw/zinc/31/56/65/493315665.db2.gz OMNWWSUHDQNJLN-IXDOHACOSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000673303751 493315668 /nfs/dbraw/zinc/31/56/68/493315668.db2.gz OMNWWSUHDQNJLN-IXDOHACOSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000673303745 493315835 /nfs/dbraw/zinc/31/58/35/493315835.db2.gz OMNWWSUHDQNJLN-BRWVUGGUSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000673303745 493315836 /nfs/dbraw/zinc/31/58/36/493315836.db2.gz OMNWWSUHDQNJLN-BRWVUGGUSA-N 2 2 371.485 0.719 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673336925 493319359 /nfs/dbraw/zinc/31/93/59/493319359.db2.gz NTZHJYDTISZUDA-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673336925 493319361 /nfs/dbraw/zinc/31/93/61/493319361.db2.gz NTZHJYDTISZUDA-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868631 493323930 /nfs/dbraw/zinc/32/39/30/493323930.db2.gz MEKFODBRSRUCOR-DOTOQJQBSA-N 2 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](N4CCCC4=O)C3)C2)CC1 ZINC000682868631 493323933 /nfs/dbraw/zinc/32/39/33/493323933.db2.gz MEKFODBRSRUCOR-DOTOQJQBSA-N 2 2 363.506 0.561 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660637876 493369099 /nfs/dbraw/zinc/36/90/99/493369099.db2.gz HHLLBSFMCYUVEI-LJQANCHMSA-N 2 2 374.533 0.839 20 0 FCADLP CC(C)(CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000673895902 493372405 /nfs/dbraw/zinc/37/24/05/493372405.db2.gz QKCFOGUYFJHJKG-UHFFFAOYSA-N 2 2 374.529 0.719 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000683830970 493372368 /nfs/dbraw/zinc/37/23/68/493372368.db2.gz BSQONKNIPPXLJF-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000683830970 493372370 /nfs/dbraw/zinc/37/23/70/493372370.db2.gz BSQONKNIPPXLJF-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000683830970 493372371 /nfs/dbraw/zinc/37/23/71/493372371.db2.gz BSQONKNIPPXLJF-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000683830970 493372374 /nfs/dbraw/zinc/37/23/74/493372374.db2.gz BSQONKNIPPXLJF-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660699322 493373239 /nfs/dbraw/zinc/37/32/39/493373239.db2.gz CWWVDUZVVUWIOS-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000674007827 493381834 /nfs/dbraw/zinc/38/18/34/493381834.db2.gz PFNIPANFZJHSCC-CABCVRRESA-N 2 2 362.499 0.745 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000674007827 493381837 /nfs/dbraw/zinc/38/18/37/493381837.db2.gz PFNIPANFZJHSCC-CABCVRRESA-N 2 2 362.499 0.745 20 0 FCADLP CCC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617251 493385122 /nfs/dbraw/zinc/38/51/22/493385122.db2.gz JEXMUCMAUJEQRH-GJZGRUSLSA-N 2 2 360.524 0.071 20 0 FCADLP CCC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617251 493385126 /nfs/dbraw/zinc/38/51/26/493385126.db2.gz JEXMUCMAUJEQRH-GJZGRUSLSA-N 2 2 360.524 0.071 20 0 FCADLP Cc1cnc2nc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nn2c1 ZINC000668618938 493385631 /nfs/dbraw/zinc/38/56/31/493385631.db2.gz WANYUMQGBGAJNL-HNNXBMFYSA-N 2 2 357.462 0.673 20 0 FCADLP Cc1cnc2nc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nn2c1 ZINC000668618938 493385634 /nfs/dbraw/zinc/38/56/34/493385634.db2.gz WANYUMQGBGAJNL-HNNXBMFYSA-N 2 2 357.462 0.673 20 0 FCADLP C[C@H](O)[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000668721591 493401484 /nfs/dbraw/zinc/40/14/84/493401484.db2.gz NJMJKQKWQUXYBM-WMLDXEAASA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000674289316 493405568 /nfs/dbraw/zinc/40/55/68/493405568.db2.gz DOVUZTHNAQWPQK-GJZGRUSLSA-N 2 2 362.478 0.348 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000674289316 493405570 /nfs/dbraw/zinc/40/55/70/493405570.db2.gz DOVUZTHNAQWPQK-GJZGRUSLSA-N 2 2 362.478 0.348 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[N@H+](C)C1CC1 ZINC000668794639 493412958 /nfs/dbraw/zinc/41/29/58/493412958.db2.gz MZQLRDCEIFOZLG-CQSZACIVSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[N@@H+](C)C1CC1 ZINC000668794639 493412960 /nfs/dbraw/zinc/41/29/60/493412960.db2.gz MZQLRDCEIFOZLG-CQSZACIVSA-N 2 2 359.474 0.897 20 0 FCADLP COCC[N@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000661188862 493417310 /nfs/dbraw/zinc/41/73/10/493417310.db2.gz WWTPLIRBOZJCEU-ZCNNSNEGSA-N 2 2 363.502 0.511 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000661188862 493417311 /nfs/dbraw/zinc/41/73/11/493417311.db2.gz WWTPLIRBOZJCEU-ZCNNSNEGSA-N 2 2 363.502 0.511 20 0 FCADLP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000661188862 493417313 /nfs/dbraw/zinc/41/73/13/493417313.db2.gz WWTPLIRBOZJCEU-ZCNNSNEGSA-N 2 2 363.502 0.511 20 0 FCADLP COCC[NH+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000661188862 493417314 /nfs/dbraw/zinc/41/73/14/493417314.db2.gz WWTPLIRBOZJCEU-ZCNNSNEGSA-N 2 2 363.502 0.511 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000668830252 493417722 /nfs/dbraw/zinc/41/77/22/493417722.db2.gz XZLWFGRGRACWOV-SOUVJXGZSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000668830252 493417723 /nfs/dbraw/zinc/41/77/23/493417723.db2.gz XZLWFGRGRACWOV-SOUVJXGZSA-N 2 2 354.495 0.201 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1F ZINC000668889110 493429055 /nfs/dbraw/zinc/42/90/55/493429055.db2.gz RXZQAYGRWNCAMI-CJNGLKHVSA-N 2 2 360.437 0.851 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000668911654 493435525 /nfs/dbraw/zinc/43/55/25/493435525.db2.gz VLJPZUDWOVAZIZ-OAHLLOKOSA-N 2 2 368.522 0.593 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000668911654 493435529 /nfs/dbraw/zinc/43/55/29/493435529.db2.gz VLJPZUDWOVAZIZ-OAHLLOKOSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684879259 493436338 /nfs/dbraw/zinc/43/63/38/493436338.db2.gz JBUACQMJNWRPJZ-LBPRGKRZSA-N 2 2 370.475 0.134 20 0 FCADLP Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684879259 493436340 /nfs/dbraw/zinc/43/63/40/493436340.db2.gz JBUACQMJNWRPJZ-LBPRGKRZSA-N 2 2 370.475 0.134 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000668958122 493444174 /nfs/dbraw/zinc/44/41/74/493444174.db2.gz RPJWMOMCEVAZOS-INIZCTEOSA-N 2 2 357.458 0.902 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000668958122 493444177 /nfs/dbraw/zinc/44/41/77/493444177.db2.gz RPJWMOMCEVAZOS-INIZCTEOSA-N 2 2 357.458 0.902 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000685081443 493447971 /nfs/dbraw/zinc/44/79/71/493447971.db2.gz IMWZFMRBJCJUHI-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000685081443 493447974 /nfs/dbraw/zinc/44/79/74/493447974.db2.gz IMWZFMRBJCJUHI-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000685081443 493447976 /nfs/dbraw/zinc/44/79/76/493447976.db2.gz IMWZFMRBJCJUHI-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000685081443 493447977 /nfs/dbraw/zinc/44/79/77/493447977.db2.gz IMWZFMRBJCJUHI-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596481 493449557 /nfs/dbraw/zinc/44/95/57/493449557.db2.gz JCGFEEHBJXCBCO-BRWVUGGUSA-N 2 2 371.485 0.719 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596481 493449559 /nfs/dbraw/zinc/44/95/59/493449559.db2.gz JCGFEEHBJXCBCO-BRWVUGGUSA-N 2 2 371.485 0.719 20 0 FCADLP C[NH+](C)CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000675143874 493469907 /nfs/dbraw/zinc/46/99/07/493469907.db2.gz GBMKXEZINGJMBB-OAHLLOKOSA-N 2 2 356.492 0.631 20 0 FCADLP Cc1occc1C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605279 493494779 /nfs/dbraw/zinc/49/47/79/493494779.db2.gz LIDIKRSATDKSPI-INIZCTEOSA-N 2 2 362.474 0.945 20 0 FCADLP Cc1occc1C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605279 493494783 /nfs/dbraw/zinc/49/47/83/493494783.db2.gz LIDIKRSATDKSPI-INIZCTEOSA-N 2 2 362.474 0.945 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[C@H]1[NH3+] ZINC000669405485 493502297 /nfs/dbraw/zinc/50/22/97/493502297.db2.gz BETPDBWVPPYDDI-INMHGKMJSA-N 2 2 356.536 0.963 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685564054 493503054 /nfs/dbraw/zinc/50/30/54/493503054.db2.gz MQLPNTVMYUKPRI-YJBOKZPZSA-N 2 2 357.458 0.571 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685564054 493503059 /nfs/dbraw/zinc/50/30/59/493503059.db2.gz MQLPNTVMYUKPRI-YJBOKZPZSA-N 2 2 357.458 0.571 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662287225 493503276 /nfs/dbraw/zinc/50/32/76/493503276.db2.gz VMLAVLAABAJQMI-UHFFFAOYSA-N 3 2 360.502 0.343 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000685614221 493505843 /nfs/dbraw/zinc/50/58/43/493505843.db2.gz RYVHGHIKRSGKMI-UHFFFAOYSA-N 2 2 366.263 0.960 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H](N3CC[NH2+]CC3=O)C1)CCC2 ZINC000669541065 493510315 /nfs/dbraw/zinc/51/03/15/493510315.db2.gz IQCXQHOZNARQQH-JKSUJKDBSA-N 2 2 374.489 0.675 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685790285 493515934 /nfs/dbraw/zinc/51/59/34/493515934.db2.gz NUNDCYHJVPCOBO-FVQBIDKESA-N 2 2 365.478 0.318 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685790285 493515937 /nfs/dbraw/zinc/51/59/37/493515937.db2.gz NUNDCYHJVPCOBO-FVQBIDKESA-N 2 2 365.478 0.318 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000662447746 493516028 /nfs/dbraw/zinc/51/60/28/493516028.db2.gz FKMAAKMSOYVGSB-OAHLLOKOSA-N 2 2 357.462 0.568 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000662447746 493516030 /nfs/dbraw/zinc/51/60/30/493516030.db2.gz FKMAAKMSOYVGSB-OAHLLOKOSA-N 2 2 357.462 0.568 20 0 FCADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662457105 493517205 /nfs/dbraw/zinc/51/72/05/493517205.db2.gz CCSMMEXCFHJOGH-GJZGRUSLSA-N 2 2 362.478 0.396 20 0 FCADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662457105 493517207 /nfs/dbraw/zinc/51/72/07/493517207.db2.gz CCSMMEXCFHJOGH-GJZGRUSLSA-N 2 2 362.478 0.396 20 0 FCADLP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C[C@H]1[NH+]1CCOCC1 ZINC000662481600 493520010 /nfs/dbraw/zinc/52/00/10/493520010.db2.gz KUEYSSYRMLCLMC-OWCLPIDISA-N 2 2 362.478 0.304 20 0 FCADLP [NH3+]CCn1cc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)nn1 ZINC000662545758 493525266 /nfs/dbraw/zinc/52/52/66/493525266.db2.gz IZIGMEFODDRZJS-CQSZACIVSA-N 2 2 371.445 0.526 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662673771 493531174 /nfs/dbraw/zinc/53/11/74/493531174.db2.gz RACAABHAWYHXRB-NVXWUHKLSA-N 2 2 364.494 0.679 20 0 FCADLP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704288 493533095 /nfs/dbraw/zinc/53/30/95/493533095.db2.gz YPUUXBUXIMNYLH-INIZCTEOSA-N 2 2 362.478 0.215 20 0 FCADLP C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241104 493533878 /nfs/dbraw/zinc/53/38/78/493533878.db2.gz JJSMZKLJUQANBZ-HOCLYGCPSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241104 493533880 /nfs/dbraw/zinc/53/38/80/493533880.db2.gz JJSMZKLJUQANBZ-HOCLYGCPSA-N 2 2 363.462 0.437 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676246914 493534594 /nfs/dbraw/zinc/53/45/94/493534594.db2.gz ZXHWCKOCSLDHJV-IXDOHACOSA-N 2 2 355.527 0.278 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246914 493534597 /nfs/dbraw/zinc/53/45/97/493534597.db2.gz ZXHWCKOCSLDHJV-IXDOHACOSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676246914 493534598 /nfs/dbraw/zinc/53/45/98/493534598.db2.gz ZXHWCKOCSLDHJV-IXDOHACOSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246914 493534601 /nfs/dbraw/zinc/53/46/01/493534601.db2.gz ZXHWCKOCSLDHJV-IXDOHACOSA-N 2 2 355.527 0.278 20 0 FCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000662722249 493534883 /nfs/dbraw/zinc/53/48/83/493534883.db2.gz LTJIFRSXIYXTOT-DLBZAZTESA-N 2 2 366.506 0.191 20 0 FCADLP C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676263558 493537959 /nfs/dbraw/zinc/53/79/59/493537959.db2.gz GAOOETSGUXHMKX-ZBFHGGJFSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263558 493537962 /nfs/dbraw/zinc/53/79/62/493537962.db2.gz GAOOETSGUXHMKX-ZBFHGGJFSA-N 2 2 366.466 0.056 20 0 FCADLP CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662752646 493538015 /nfs/dbraw/zinc/53/80/15/493538015.db2.gz SONLELQPHLCTSG-BFQNTYOBSA-N 2 2 351.451 0.391 20 0 FCADLP CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662752646 493538018 /nfs/dbraw/zinc/53/80/18/493538018.db2.gz SONLELQPHLCTSG-BFQNTYOBSA-N 2 2 351.451 0.391 20 0 FCADLP [NH3+]CCn1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)nn1 ZINC000662806804 493543255 /nfs/dbraw/zinc/54/32/55/493543255.db2.gz SVACTUNCRLCPRU-UHFFFAOYSA-N 2 2 365.441 0.875 20 0 FCADLP C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676303492 493543399 /nfs/dbraw/zinc/54/33/99/493543399.db2.gz CUIOIYFWQOSQTJ-FUHWJXTLSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303492 493543400 /nfs/dbraw/zinc/54/34/00/493543400.db2.gz CUIOIYFWQOSQTJ-FUHWJXTLSA-N 2 2 368.522 0.849 20 0 FCADLP COC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000662851153 493547125 /nfs/dbraw/zinc/54/71/25/493547125.db2.gz XRTSFCDDBSZKTD-HBFSDRIKSA-N 2 2 359.470 0.724 20 0 FCADLP COC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000662851153 493547126 /nfs/dbraw/zinc/54/71/26/493547126.db2.gz XRTSFCDDBSZKTD-HBFSDRIKSA-N 2 2 359.470 0.724 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662985728 493564610 /nfs/dbraw/zinc/56/46/10/493564610.db2.gz ZIZJXAYYXPNKAE-CVEARBPZSA-N 2 2 354.495 0.141 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]c12 ZINC000670436268 493567414 /nfs/dbraw/zinc/56/74/14/493567414.db2.gz RXNGUWOQQMDTRK-SJORKVTESA-N 2 2 369.469 0.997 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]c12 ZINC000670436268 493567417 /nfs/dbraw/zinc/56/74/17/493567417.db2.gz RXNGUWOQQMDTRK-SJORKVTESA-N 2 2 369.469 0.997 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670478569 493572042 /nfs/dbraw/zinc/57/20/42/493572042.db2.gz NRIZHHSOSVGCKG-KRWDZBQOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670478569 493572044 /nfs/dbraw/zinc/57/20/44/493572044.db2.gz NRIZHHSOSVGCKG-KRWDZBQOSA-N 2 2 359.474 0.325 20 0 FCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486186 493573436 /nfs/dbraw/zinc/57/34/36/493573436.db2.gz PFDKOINCZKXBQQ-INIZCTEOSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670486186 493573437 /nfs/dbraw/zinc/57/34/37/493573437.db2.gz PFDKOINCZKXBQQ-INIZCTEOSA-N 2 2 374.485 0.596 20 0 FCADLP NC(=O)C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000676898042 493577516 /nfs/dbraw/zinc/57/75/16/493577516.db2.gz HYERCYDXHMZNRC-CQSZACIVSA-N 2 2 350.488 0.590 20 0 FCADLP NC(=O)C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000676898042 493577518 /nfs/dbraw/zinc/57/75/18/493577518.db2.gz HYERCYDXHMZNRC-CQSZACIVSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000670535355 493577702 /nfs/dbraw/zinc/57/77/02/493577702.db2.gz WCHFZDKCHWWOJR-BFHYXJOUSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000670535355 493577703 /nfs/dbraw/zinc/57/77/03/493577703.db2.gz WCHFZDKCHWWOJR-BFHYXJOUSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000670628946 493581685 /nfs/dbraw/zinc/58/16/85/493581685.db2.gz BMJMHPDMLODDGH-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000670628946 493581687 /nfs/dbraw/zinc/58/16/87/493581687.db2.gz BMJMHPDMLODDGH-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000670628946 493581689 /nfs/dbraw/zinc/58/16/89/493581689.db2.gz BMJMHPDMLODDGH-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670628946 493581692 /nfs/dbraw/zinc/58/16/92/493581692.db2.gz BMJMHPDMLODDGH-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP CC[N@@H+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000677201948 493589962 /nfs/dbraw/zinc/58/99/62/493589962.db2.gz DTMNWQPRGHRSJI-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CC[N@H+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000677201948 493589964 /nfs/dbraw/zinc/58/99/64/493589964.db2.gz DTMNWQPRGHRSJI-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670787339 493597076 /nfs/dbraw/zinc/59/70/76/493597076.db2.gz GAJYWONGXCKPKL-INIZCTEOSA-N 2 2 355.442 0.594 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c[nH+]2)CCO1 ZINC000663590685 493602319 /nfs/dbraw/zinc/60/23/19/493602319.db2.gz HNGXGNUOAIJXLS-BPUTZDHNSA-N 2 2 363.462 0.123 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000663614518 493604303 /nfs/dbraw/zinc/60/43/03/493604303.db2.gz WYSBNDDMBOWILD-LIRRHRJNSA-N 2 2 360.458 0.887 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000677579667 493609463 /nfs/dbraw/zinc/60/94/63/493609463.db2.gz XRAWNHZGUDXMAK-UHFFFAOYSA-N 3 2 360.506 0.939 20 0 FCADLP COCCN1C(=O)C[C@@H]([NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000677649275 493611289 /nfs/dbraw/zinc/61/12/89/493611289.db2.gz PUIRNZKAWGKULI-QGZVFWFLSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCNc1cccc[nH+]1 ZINC000663680054 493611819 /nfs/dbraw/zinc/61/18/19/493611819.db2.gz BWKFEMHQBKWDLG-UHFFFAOYSA-N 2 2 350.467 0.545 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)CC1 ZINC000663695735 493612371 /nfs/dbraw/zinc/61/23/71/493612371.db2.gz MWZLPXYGTQUJAU-INIZCTEOSA-N 2 2 361.490 0.986 20 0 FCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000671033780 493625368 /nfs/dbraw/zinc/62/53/68/493625368.db2.gz AOPUPDBTDKUDDR-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000671033780 493625370 /nfs/dbraw/zinc/62/53/70/493625370.db2.gz AOPUPDBTDKUDDR-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663938053 493626749 /nfs/dbraw/zinc/62/67/49/493626749.db2.gz WLGLODDFZKEWCG-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663938053 493626751 /nfs/dbraw/zinc/62/67/51/493626751.db2.gz WLGLODDFZKEWCG-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663993413 493629037 /nfs/dbraw/zinc/62/90/37/493629037.db2.gz IPYJWLPUQIRDFF-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663993413 493629040 /nfs/dbraw/zinc/62/90/40/493629040.db2.gz IPYJWLPUQIRDFF-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671102577 493633569 /nfs/dbraw/zinc/63/35/69/493633569.db2.gz ZLDHMDZTQZUJAG-ZBFHGGJFSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671102577 493633572 /nfs/dbraw/zinc/63/35/72/493633572.db2.gz ZLDHMDZTQZUJAG-ZBFHGGJFSA-N 2 2 359.474 0.621 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664083692 493635163 /nfs/dbraw/zinc/63/51/63/493635163.db2.gz UWPDCEFLANGSTF-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664083692 493635166 /nfs/dbraw/zinc/63/51/66/493635166.db2.gz UWPDCEFLANGSTF-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122477 493639195 /nfs/dbraw/zinc/63/91/95/493639195.db2.gz BMSUCAWIIINEEU-GJZGRUSLSA-N 2 2 357.458 0.377 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122477 493639197 /nfs/dbraw/zinc/63/91/97/493639197.db2.gz BMSUCAWIIINEEU-GJZGRUSLSA-N 2 2 357.458 0.377 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000664175178 493641561 /nfs/dbraw/zinc/64/15/61/493641561.db2.gz XQOOUWBQCZSKLL-BBWFWOEESA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000664175178 493641563 /nfs/dbraw/zinc/64/15/63/493641563.db2.gz XQOOUWBQCZSKLL-BBWFWOEESA-N 2 2 368.522 0.896 20 0 FCADLP C[C@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C[NH+]1CCOCC1 ZINC000664190208 493643491 /nfs/dbraw/zinc/64/34/91/493643491.db2.gz GAVXEFMRYJOLHX-CABCVRRESA-N 2 2 367.494 0.747 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000664191700 493643691 /nfs/dbraw/zinc/64/36/91/493643691.db2.gz VZHFKSBJYPUDLI-ZWKOTPCHSA-N 2 2 368.522 0.851 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3nccs3)C2)CC1 ZINC000671297774 493653543 /nfs/dbraw/zinc/65/35/43/493653543.db2.gz DWYVVLVMVCOKOV-LBPRGKRZSA-N 2 2 351.476 0.044 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3nccs3)C2)CC1 ZINC000671297774 493653545 /nfs/dbraw/zinc/65/35/45/493653545.db2.gz DWYVVLVMVCOKOV-LBPRGKRZSA-N 2 2 351.476 0.044 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000671325735 493654851 /nfs/dbraw/zinc/65/48/51/493654851.db2.gz OZSCYERLEQQRSM-KRWDZBQOSA-N 2 2 372.513 0.927 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000671325735 493654852 /nfs/dbraw/zinc/65/48/52/493654852.db2.gz OZSCYERLEQQRSM-KRWDZBQOSA-N 2 2 372.513 0.927 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)n1C ZINC000664351544 493655134 /nfs/dbraw/zinc/65/51/34/493655134.db2.gz OMDYMBQXOASDCZ-CYBMUJFWSA-N 2 2 363.466 0.779 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000671348496 493658193 /nfs/dbraw/zinc/65/81/93/493658193.db2.gz ALEBIMQXTPWAIJ-UHFFFAOYSA-N 2 2 356.430 0.523 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000664490291 493662574 /nfs/dbraw/zinc/66/25/74/493662574.db2.gz JHQIHGBXZFWXFP-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000664490291 493662577 /nfs/dbraw/zinc/66/25/77/493662577.db2.gz JHQIHGBXZFWXFP-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000664490292 493662656 /nfs/dbraw/zinc/66/26/56/493662656.db2.gz JHQIHGBXZFWXFP-ULQDDVLXSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000664490292 493662658 /nfs/dbraw/zinc/66/26/58/493662658.db2.gz JHQIHGBXZFWXFP-ULQDDVLXSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394989 493664354 /nfs/dbraw/zinc/66/43/54/493664354.db2.gz QPRYRIPNMWMOGK-YJBOKZPZSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394989 493664357 /nfs/dbraw/zinc/66/43/57/493664357.db2.gz QPRYRIPNMWMOGK-YJBOKZPZSA-N 2 2 358.486 0.917 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671395019 493664607 /nfs/dbraw/zinc/66/46/07/493664607.db2.gz RBOUGTHYZBMOBA-MRXNPFEDSA-N 2 2 358.486 0.919 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671395019 493664608 /nfs/dbraw/zinc/66/46/08/493664608.db2.gz RBOUGTHYZBMOBA-MRXNPFEDSA-N 2 2 358.486 0.919 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664521013 493665363 /nfs/dbraw/zinc/66/53/63/493665363.db2.gz QICRWGGKKNWJNV-DOTOQJQBSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664521013 493665365 /nfs/dbraw/zinc/66/53/65/493665365.db2.gz QICRWGGKKNWJNV-DOTOQJQBSA-N 2 2 359.474 0.901 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597683 493670457 /nfs/dbraw/zinc/67/04/57/493670457.db2.gz QKKHFOQMZVRYMF-YQQAZPJKSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597683 493670459 /nfs/dbraw/zinc/67/04/59/493670459.db2.gz QKKHFOQMZVRYMF-YQQAZPJKSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597683 493670462 /nfs/dbraw/zinc/67/04/62/493670462.db2.gz QKKHFOQMZVRYMF-YQQAZPJKSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597683 493670465 /nfs/dbraw/zinc/67/04/65/493670465.db2.gz QKKHFOQMZVRYMF-YQQAZPJKSA-N 2 2 361.490 0.719 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)CC1 ZINC000664596259 493670472 /nfs/dbraw/zinc/67/04/72/493670472.db2.gz IDAZXEXJCKZBAE-INIZCTEOSA-N 2 2 361.490 0.863 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)CC1 ZINC000664596259 493670474 /nfs/dbraw/zinc/67/04/74/493670474.db2.gz IDAZXEXJCKZBAE-INIZCTEOSA-N 2 2 361.490 0.863 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)CC1 ZINC000664596259 493670476 /nfs/dbraw/zinc/67/04/76/493670476.db2.gz IDAZXEXJCKZBAE-INIZCTEOSA-N 2 2 361.490 0.863 20 0 FCADLP CC1(O)CCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)CC1 ZINC000664596259 493670477 /nfs/dbraw/zinc/67/04/77/493670477.db2.gz IDAZXEXJCKZBAE-INIZCTEOSA-N 2 2 361.490 0.863 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679501608 493682834 /nfs/dbraw/zinc/68/28/34/493682834.db2.gz FGVVIBKJCPYKDL-UHFFFAOYSA-N 2 2 353.386 0.999 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293116 493708017 /nfs/dbraw/zinc/70/80/17/493708017.db2.gz RRZYQJDYVJVGDP-NSHDSACASA-N 2 2 365.459 0.756 20 0 FCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000680467452 493718490 /nfs/dbraw/zinc/71/84/90/493718490.db2.gz OOKQRVQPMFIWEO-LSDHHAIUSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000680467452 493718492 /nfs/dbraw/zinc/71/84/92/493718492.db2.gz OOKQRVQPMFIWEO-LSDHHAIUSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000671960952 493718636 /nfs/dbraw/zinc/71/86/36/493718636.db2.gz GMXXJFCJJKAWAF-HOTGVXAUSA-N 2 2 363.462 0.131 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671968703 493720039 /nfs/dbraw/zinc/72/00/39/493720039.db2.gz GVKDWVKWOGHAKN-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671968703 493720040 /nfs/dbraw/zinc/72/00/40/493720040.db2.gz GVKDWVKWOGHAKN-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680508154 493720794 /nfs/dbraw/zinc/72/07/94/493720794.db2.gz LRGNGEMCOWSGNJ-WCQYABFASA-N 2 2 352.401 0.720 20 0 FCADLP CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680508154 493720795 /nfs/dbraw/zinc/72/07/95/493720795.db2.gz LRGNGEMCOWSGNJ-WCQYABFASA-N 2 2 352.401 0.720 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680552875 493723450 /nfs/dbraw/zinc/72/34/50/493723450.db2.gz MNQDPXICPSYRSR-USXIJHARSA-N 2 2 354.495 0.648 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680552875 493723451 /nfs/dbraw/zinc/72/34/51/493723451.db2.gz MNQDPXICPSYRSR-USXIJHARSA-N 2 2 354.495 0.648 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000672008793 493724047 /nfs/dbraw/zinc/72/40/47/493724047.db2.gz WKVKTUFFDBXHNL-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000672008793 493724048 /nfs/dbraw/zinc/72/40/48/493724048.db2.gz WKVKTUFFDBXHNL-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000672014081 493724786 /nfs/dbraw/zinc/72/47/86/493724786.db2.gz KCMLRAPODVTRKX-ILXRZTDVSA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000672099648 493735438 /nfs/dbraw/zinc/73/54/38/493735438.db2.gz NWDVDKPJCXANIN-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000672099648 493735440 /nfs/dbraw/zinc/73/54/40/493735440.db2.gz NWDVDKPJCXANIN-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)NCc2[nH+]ccn2C)c(N2CCCC2)[nH+]1 ZINC000672256448 493746365 /nfs/dbraw/zinc/74/63/65/493746365.db2.gz OFNRBWQVWMMNBX-UHFFFAOYSA-N 2 2 356.430 0.656 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC000681160883 493748118 /nfs/dbraw/zinc/74/81/18/493748118.db2.gz MOWRRNZVBAVUTB-CQSZACIVSA-N 2 2 362.482 0.051 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC000681160883 493748121 /nfs/dbraw/zinc/74/81/21/493748121.db2.gz MOWRRNZVBAVUTB-CQSZACIVSA-N 2 2 362.482 0.051 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217701 493750797 /nfs/dbraw/zinc/75/07/97/493750797.db2.gz PMWMMXOJZIGUDI-GVDBMIGSSA-N 2 2 365.522 0.711 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217701 493750800 /nfs/dbraw/zinc/75/08/00/493750800.db2.gz PMWMMXOJZIGUDI-GVDBMIGSSA-N 2 2 365.522 0.711 20 0 FCADLP CN(C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681215615 493750992 /nfs/dbraw/zinc/75/09/92/493750992.db2.gz KAAGXVFPARMJFY-MSOLQXFVSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681215615 493750995 /nfs/dbraw/zinc/75/09/95/493750995.db2.gz 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0.377 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672306042 493752645 /nfs/dbraw/zinc/75/26/45/493752645.db2.gz OTVKBMHOCKYAFQ-JKSUJKDBSA-N 2 2 357.458 0.377 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCCCS(C)(=O)=O)C2)CC1 ZINC000681309615 493756002 /nfs/dbraw/zinc/75/60/02/493756002.db2.gz CTVHUQDNTDAEOZ-HNNXBMFYSA-N 2 2 374.551 0.669 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCCCS(C)(=O)=O)C2)CC1 ZINC000681309615 493756004 /nfs/dbraw/zinc/75/60/04/493756004.db2.gz CTVHUQDNTDAEOZ-HNNXBMFYSA-N 2 2 374.551 0.669 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCCCS(C)(=O)=O)C2)CC1 ZINC000681309619 493756101 /nfs/dbraw/zinc/75/61/01/493756101.db2.gz CTVHUQDNTDAEOZ-OAHLLOKOSA-N 2 2 374.551 0.669 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCCCS(C)(=O)=O)C2)CC1 ZINC000681309619 493756103 /nfs/dbraw/zinc/75/61/03/493756103.db2.gz CTVHUQDNTDAEOZ-OAHLLOKOSA-N 2 2 374.551 0.669 20 0 FCADLP CN1CCN(c2cc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc[nH+]2)CC1=O 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/nfs/dbraw/zinc/80/99/00/534809900.db2.gz UDPCXXBCXWJPHF-QGZVFWFLSA-N 2 2 358.442 0.758 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419977959 536449296 /nfs/dbraw/zinc/44/92/96/536449296.db2.gz NNPZRXLMKFNVAF-CQSZACIVSA-N 2 2 361.490 0.897 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000410718566 527730078 /nfs/dbraw/zinc/73/00/78/527730078.db2.gz XGQALXQLHLSREN-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@H]1C ZINC000410706549 527923773 /nfs/dbraw/zinc/92/37/73/527923773.db2.gz YVCJDKYTXFELBH-IAGOWNOFSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@H]1C ZINC000410706549 527923777 /nfs/dbraw/zinc/92/37/77/527923777.db2.gz YVCJDKYTXFELBH-IAGOWNOFSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@@H]1C ZINC000410700409 527960985 /nfs/dbraw/zinc/96/09/85/527960985.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@@H]1C ZINC000410700409 527960990 /nfs/dbraw/zinc/96/09/90/527960990.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700409 527960995 /nfs/dbraw/zinc/96/09/95/527960995.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700409 527960998 /nfs/dbraw/zinc/96/09/98/527960998.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C ZINC000410700409 527961000 /nfs/dbraw/zinc/96/10/00/527961000.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C ZINC000410700409 527961001 /nfs/dbraw/zinc/96/10/01/527961001.db2.gz JUIJXKCHSSNAHH-IRXDYDNUSA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705051 527961283 /nfs/dbraw/zinc/96/12/83/527961283.db2.gz UFQACHRRSSEODQ-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705051 527961287 /nfs/dbraw/zinc/96/12/87/527961287.db2.gz UFQACHRRSSEODQ-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705051 527961291 /nfs/dbraw/zinc/96/12/91/527961291.db2.gz UFQACHRRSSEODQ-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705051 527961298 /nfs/dbraw/zinc/96/12/98/527961298.db2.gz UFQACHRRSSEODQ-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000410764465 528074879 /nfs/dbraw/zinc/07/48/79/528074879.db2.gz CMTGXTHDRPVBDF-INIZCTEOSA-N 2 2 356.511 0.092 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000186861773 528322892 /nfs/dbraw/zinc/32/28/92/528322892.db2.gz HTHLMKCJCPKDSR-KRWDZBQOSA-N 2 2 356.511 0.755 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000186861773 528322899 /nfs/dbraw/zinc/32/28/99/528322899.db2.gz HTHLMKCJCPKDSR-KRWDZBQOSA-N 2 2 356.511 0.755 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000186862906 528452764 /nfs/dbraw/zinc/45/27/64/528452764.db2.gz SJDOGWQOYNXEAF-QGZVFWFLSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000186862906 528452768 /nfs/dbraw/zinc/45/27/68/528452768.db2.gz SJDOGWQOYNXEAF-QGZVFWFLSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000157872243 528895213 /nfs/dbraw/zinc/89/52/13/528895213.db2.gz IFWNHMHWXUZQBG-UHFFFAOYSA-N 2 2 363.510 0.580 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175761508 529012080 /nfs/dbraw/zinc/01/20/80/529012080.db2.gz JKHKQFSROVCOER-IRXDYDNUSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175761508 529012086 /nfs/dbraw/zinc/01/20/86/529012086.db2.gz JKHKQFSROVCOER-IRXDYDNUSA-N 2 2 356.511 0.441 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410499477 529112720 /nfs/dbraw/zinc/11/27/20/529112720.db2.gz SOROOBCKQGYSJC-JKSUJKDBSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410499477 529112722 /nfs/dbraw/zinc/11/27/22/529112722.db2.gz SOROOBCKQGYSJC-JKSUJKDBSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410955237 529117873 /nfs/dbraw/zinc/11/78/73/529117873.db2.gz PYVIAQIBMUGJCT-DNVCBOLYSA-N 2 2 374.489 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410955237 529117874 /nfs/dbraw/zinc/11/78/74/529117874.db2.gz PYVIAQIBMUGJCT-DNVCBOLYSA-N 2 2 374.489 0.169 20 0 FCADLP CC(C)(C[NH3+])NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417293152 535068401 /nfs/dbraw/zinc/06/84/01/535068401.db2.gz DWIIDABTPCXEMX-UHFFFAOYSA-N 2 2 350.463 0.934 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423665343 535186237 /nfs/dbraw/zinc/18/62/37/535186237.db2.gz QOPCMCIKAUZGAD-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423665343 535186242 /nfs/dbraw/zinc/18/62/42/535186242.db2.gz QOPCMCIKAUZGAD-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000423659016 535187084 /nfs/dbraw/zinc/18/70/84/535187084.db2.gz HHYHDMNUNOJNOR-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH2+]CC1 ZINC000423697931 535188014 /nfs/dbraw/zinc/18/80/14/535188014.db2.gz LTCPDAIVDBORHZ-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414802690 535360481 /nfs/dbraw/zinc/36/04/81/535360481.db2.gz LFORJKCDZKCHMC-UHFFFAOYSA-N 2 2 360.458 0.498 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414802690 535360483 /nfs/dbraw/zinc/36/04/83/535360483.db2.gz LFORJKCDZKCHMC-UHFFFAOYSA-N 2 2 360.458 0.498 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000444168578 535441578 /nfs/dbraw/zinc/44/15/78/535441578.db2.gz PHYSVJDCWZQDTG-CRAIPNDOSA-N 2 2 365.478 0.686 20 0 FCADLP CC[NH2+]CC[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000414829336 535476960 /nfs/dbraw/zinc/47/69/60/535476960.db2.gz MGCCPVCAMRUVQX-UHFFFAOYSA-N 2 2 351.447 0.632 20 0 FCADLP CCN1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000415198549 535607422 /nfs/dbraw/zinc/60/74/22/535607422.db2.gz CKPVPFDMZLYUQQ-INIZCTEOSA-N 2 2 370.457 0.973 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c[nH+]1 ZINC000419201605 535684650 /nfs/dbraw/zinc/68/46/50/535684650.db2.gz FZPRWHVMBUEKJG-HOTGVXAUSA-N 2 2 359.474 0.612 20 0 FCADLP C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435619418 536174442 /nfs/dbraw/zinc/17/44/42/536174442.db2.gz YDIJRDNVURUQBB-LLVKDONJSA-N 2 2 374.894 1.000 20 0 FCADLP C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435619418 536174446 /nfs/dbraw/zinc/17/44/46/536174446.db2.gz YDIJRDNVURUQBB-LLVKDONJSA-N 2 2 374.894 1.000 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000423310991 536355819 /nfs/dbraw/zinc/35/58/19/536355819.db2.gz BCCPACOWZHHHBS-DOTOQJQBSA-N 2 2 359.474 0.497 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435610733 537058604 /nfs/dbraw/zinc/05/86/04/537058604.db2.gz MDWBOHMFCIXTQB-OAHLLOKOSA-N 2 2 362.474 0.978 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435610733 537058607 /nfs/dbraw/zinc/05/86/07/537058607.db2.gz MDWBOHMFCIXTQB-OAHLLOKOSA-N 2 2 362.474 0.978 20 0 FCADLP COC1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000126644730 546548023 /nfs/dbraw/zinc/54/80/23/546548023.db2.gz WOTXMSXGXWEAHQ-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP COC1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000126644730 546548028 /nfs/dbraw/zinc/54/80/28/546548028.db2.gz WOTXMSXGXWEAHQ-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CSCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nnc2ccccn21 ZINC000593906156 546766981 /nfs/dbraw/zinc/76/69/81/546766981.db2.gz RUOLKXVLZUGFCR-QWHCGFSZSA-N 2 2 350.492 0.919 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000365488824 546845616 /nfs/dbraw/zinc/84/56/16/546845616.db2.gz VKICZCUKHXNKFA-UHFFFAOYSA-N 2 2 352.479 0.357 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000332979679 546859285 /nfs/dbraw/zinc/85/92/85/546859285.db2.gz KXRYRXAYZIRZBI-HYVNUMGLSA-N 2 2 354.495 0.384 20 0 FCADLP CC[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000638051171 546871389 /nfs/dbraw/zinc/87/13/89/546871389.db2.gz YHFILLQZJYADLV-CQSZACIVSA-N 2 2 368.503 0.949 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940190 546872571 /nfs/dbraw/zinc/87/25/71/546872571.db2.gz PCMFIQKZAVWGQG-ZOWXZIJZSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940190 546872573 /nfs/dbraw/zinc/87/25/73/546872573.db2.gz PCMFIQKZAVWGQG-ZOWXZIJZSA-N 2 2 354.476 0.720 20 0 FCADLP COC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641788367 546956861 /nfs/dbraw/zinc/95/68/61/546956861.db2.gz ZFIDZDJABNZJGI-RBUKOAKNSA-N 2 2 355.523 0.814 20 0 FCADLP CO[C@@]1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOC1 ZINC000546596620 547042742 /nfs/dbraw/zinc/04/27/42/547042742.db2.gz HHFAZOGZDSLJIE-GOSISDBHSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049307 547058601 /nfs/dbraw/zinc/05/86/01/547058601.db2.gz QZELSNRKPXDKHV-MAUKXSAKSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049307 547058604 /nfs/dbraw/zinc/05/86/04/547058604.db2.gz QZELSNRKPXDKHV-MAUKXSAKSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000548049307 547058610 /nfs/dbraw/zinc/05/86/10/547058610.db2.gz QZELSNRKPXDKHV-MAUKXSAKSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000548049307 547058611 /nfs/dbraw/zinc/05/86/11/547058611.db2.gz QZELSNRKPXDKHV-MAUKXSAKSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000549991663 547076507 /nfs/dbraw/zinc/07/65/07/547076507.db2.gz RMPFNTXYPXLHFS-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663630 547096456 /nfs/dbraw/zinc/09/64/56/547096456.db2.gz MUPQJHWNPYNGPU-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663630 547096463 /nfs/dbraw/zinc/09/64/63/547096463.db2.gz MUPQJHWNPYNGPU-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000550689353 547097431 /nfs/dbraw/zinc/09/74/31/547097431.db2.gz PHXNJTWWTLOXMW-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000550689353 547097437 /nfs/dbraw/zinc/09/74/37/547097437.db2.gz PHXNJTWWTLOXMW-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000551039115 547121181 /nfs/dbraw/zinc/12/11/81/547121181.db2.gz LGFNEVCVPRSGIF-QGZVFWFLSA-N 3 2 357.568 0.749 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000552499133 547213136 /nfs/dbraw/zinc/21/31/36/547213136.db2.gz VLXOLWUCTKQJNS-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000552563018 547216347 /nfs/dbraw/zinc/21/63/47/547216347.db2.gz NIWHDWLEFFEFBP-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000552563018 547216352 /nfs/dbraw/zinc/21/63/52/547216352.db2.gz NIWHDWLEFFEFBP-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000553281059 547267469 /nfs/dbraw/zinc/26/74/69/547267469.db2.gz YBMIHDLPAQONAD-JYJNAYRXSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000553281059 547267473 /nfs/dbraw/zinc/26/74/73/547267473.db2.gz YBMIHDLPAQONAD-JYJNAYRXSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000553617413 547294673 /nfs/dbraw/zinc/29/46/73/547294673.db2.gz BVWHLXRKFHPKMD-ZNMIVQPWSA-N 2 2 356.511 0.304 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000553618541 547295009 /nfs/dbraw/zinc/29/50/09/547295009.db2.gz UFLCTSCTBSQGKV-QXSJWSMHSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000553618541 547295013 /nfs/dbraw/zinc/29/50/13/547295013.db2.gz UFLCTSCTBSQGKV-QXSJWSMHSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553620209 547295126 /nfs/dbraw/zinc/29/51/26/547295126.db2.gz IEDFAFXERINOOV-GJZGRUSLSA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000162939029 547392570 /nfs/dbraw/zinc/39/25/70/547392570.db2.gz FHIOOLHPKMKKIB-UHFFFAOYSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000279378555 547395787 /nfs/dbraw/zinc/39/57/87/547395787.db2.gz UAEQMCNZYWJCNR-HNNXBMFYSA-N 2 2 350.463 0.815 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnon3)CC2)O1 ZINC000948541157 674380545 /nfs/dbraw/zinc/38/05/45/674380545.db2.gz CTBPGCMZCHXCNI-VNQPRFMTSA-N 2 2 351.451 0.602 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnon3)CC2)O1 ZINC000948541157 674380550 /nfs/dbraw/zinc/38/05/50/674380550.db2.gz CTBPGCMZCHXCNI-VNQPRFMTSA-N 2 2 351.451 0.602 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3cnon3)CC2)O1 ZINC000948541157 674380554 /nfs/dbraw/zinc/38/05/54/674380554.db2.gz CTBPGCMZCHXCNI-VNQPRFMTSA-N 2 2 351.451 0.602 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cnon3)CC2)O1 ZINC000948541157 674380559 /nfs/dbraw/zinc/38/05/59/674380559.db2.gz CTBPGCMZCHXCNI-VNQPRFMTSA-N 2 2 351.451 0.602 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854506 599080595 /nfs/dbraw/zinc/08/05/95/599080595.db2.gz DCLBWHUTMRIDMX-MRXNPFEDSA-N 2 2 371.489 0.957 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736854506 599080598 /nfs/dbraw/zinc/08/05/98/599080598.db2.gz DCLBWHUTMRIDMX-MRXNPFEDSA-N 2 2 371.489 0.957 20 0 FCADLP NC(=O)[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729879 599289552 /nfs/dbraw/zinc/28/95/52/599289552.db2.gz FAHOIGNNZAJYBN-ZIAGYGMSSA-N 2 2 352.402 0.757 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]1 ZINC000737245831 598674773 /nfs/dbraw/zinc/67/47/73/598674773.db2.gz QGFWWTAGIOFFNT-UHFFFAOYSA-N 2 2 370.461 0.623 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736535163 598766426 /nfs/dbraw/zinc/76/64/26/598766426.db2.gz UJNXITHKQHOUBW-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853358 598767760 /nfs/dbraw/zinc/76/77/60/598767760.db2.gz XJSTVGLSBOHGTP-INIZCTEOSA-N 2 2 369.473 0.694 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853358 598767762 /nfs/dbraw/zinc/76/77/62/598767762.db2.gz XJSTVGLSBOHGTP-INIZCTEOSA-N 2 2 369.473 0.694 20 0 FCADLP Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000821628649 606235485 /nfs/dbraw/zinc/23/54/85/606235485.db2.gz NMKLGGDAWDYGRP-UHFFFAOYSA-N 2 2 367.417 0.604 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625083 607072890 /nfs/dbraw/zinc/07/28/90/607072890.db2.gz FIUPUDJBERBHAF-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625083 607072893 /nfs/dbraw/zinc/07/28/93/607072893.db2.gz FIUPUDJBERBHAF-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625083 607072895 /nfs/dbraw/zinc/07/28/95/607072895.db2.gz FIUPUDJBERBHAF-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625083 607072896 /nfs/dbraw/zinc/07/28/96/607072896.db2.gz FIUPUDJBERBHAF-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826330890 608104760 /nfs/dbraw/zinc/10/47/60/608104760.db2.gz MHHYRJQATYLLBJ-UHFFFAOYSA-N 2 2 353.434 0.979 20 0 FCADLP COC[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736981314 608581070 /nfs/dbraw/zinc/58/10/70/608581070.db2.gz YUXMKOSLOPNHMB-CYBMUJFWSA-N 2 2 369.429 0.544 20 0 FCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899058310 665925624 /nfs/dbraw/zinc/92/56/24/665925624.db2.gz QFSRRIJZGWTWID-MRXNPFEDSA-N 2 2 355.479 0.345 20 0 FCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899058310 665925625 /nfs/dbraw/zinc/92/56/25/665925625.db2.gz QFSRRIJZGWTWID-MRXNPFEDSA-N 2 2 355.479 0.345 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1)[NH+]1CCOCC1 ZINC000891515943 663411277 /nfs/dbraw/zinc/41/12/77/663411277.db2.gz DEIGCSQPCLNORF-NWDGAFQWSA-N 2 2 353.492 0.779 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C(F)F)no3)C2)O1 ZINC001022276292 663428905 /nfs/dbraw/zinc/42/89/05/663428905.db2.gz FJLPGSUYSWECJQ-CHWFTXMASA-N 2 2 359.377 0.463 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C(F)F)no3)C2)O1 ZINC001022276292 663428906 /nfs/dbraw/zinc/42/89/06/663428906.db2.gz FJLPGSUYSWECJQ-CHWFTXMASA-N 2 2 359.377 0.463 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000892168882 663484728 /nfs/dbraw/zinc/48/47/28/663484728.db2.gz KMXOVEWIFAEYJN-OAHLLOKOSA-N 2 2 365.503 0.813 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000899991164 665971148 /nfs/dbraw/zinc/97/11/48/665971148.db2.gz BLTAAXYHXWYPLW-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000899991164 665971151 /nfs/dbraw/zinc/97/11/51/665971151.db2.gz BLTAAXYHXWYPLW-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP COCCOC[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892751004 664136457 /nfs/dbraw/zinc/13/64/57/664136457.db2.gz PQHKEAPUVOLANZ-INIZCTEOSA-N 2 2 350.463 0.761 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[C@H](C)[NH+]1CCOCC1 ZINC000892837529 664149062 /nfs/dbraw/zinc/14/90/62/664149062.db2.gz CTOUOGCLXLAOCL-MWDXBVQZSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C3OCCO3)C2)CC1 ZINC000893025110 664200048 /nfs/dbraw/zinc/20/00/48/664200048.db2.gz XZWLUQHVAMJUCJ-HOCLYGCPSA-N 2 2 352.479 0.702 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C3OCCO3)C2)CC1 ZINC000893025110 664200049 /nfs/dbraw/zinc/20/00/49/664200049.db2.gz XZWLUQHVAMJUCJ-HOCLYGCPSA-N 2 2 352.479 0.702 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916008 664277093 /nfs/dbraw/zinc/27/70/93/664277093.db2.gz ZDWWSUWJICEXSO-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916008 664277097 /nfs/dbraw/zinc/27/70/97/664277097.db2.gz ZDWWSUWJICEXSO-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628852 664930795 /nfs/dbraw/zinc/93/07/95/664930795.db2.gz APUXQXJJRXKCOO-UHOFOFEASA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628852 664930797 /nfs/dbraw/zinc/93/07/97/664930797.db2.gz APUXQXJJRXKCOO-UHOFOFEASA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628852 664930799 /nfs/dbraw/zinc/93/07/99/664930799.db2.gz APUXQXJJRXKCOO-UHOFOFEASA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)oc1C ZINC001028628852 664930801 /nfs/dbraw/zinc/93/08/01/664930801.db2.gz APUXQXJJRXKCOO-UHOFOFEASA-N 2 2 350.463 0.949 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001028629341 664931163 /nfs/dbraw/zinc/93/11/63/664931163.db2.gz JTFOEEOSRVQHHL-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001028629341 664931165 /nfs/dbraw/zinc/93/11/65/664931165.db2.gz JTFOEEOSRVQHHL-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)O1 ZINC001028629341 664931166 /nfs/dbraw/zinc/93/11/66/664931166.db2.gz JTFOEEOSRVQHHL-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)O1 ZINC001028629341 664931169 /nfs/dbraw/zinc/93/11/69/664931169.db2.gz JTFOEEOSRVQHHL-CKEIUWERSA-N 2 2 350.438 0.878 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629666 664931210 /nfs/dbraw/zinc/93/12/10/664931210.db2.gz QAKRHHSQNZRUCA-ISTRZQFTSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629666 664931211 /nfs/dbraw/zinc/93/12/11/664931211.db2.gz QAKRHHSQNZRUCA-ISTRZQFTSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629666 664931212 /nfs/dbraw/zinc/93/12/12/664931212.db2.gz QAKRHHSQNZRUCA-ISTRZQFTSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629666 664931215 /nfs/dbraw/zinc/93/12/15/664931215.db2.gz QAKRHHSQNZRUCA-ISTRZQFTSA-N 2 2 350.463 0.949 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983925959 665006790 /nfs/dbraw/zinc/00/67/90/665006790.db2.gz GARSXRYSWATORT-KJWHEZOQSA-N 2 2 366.487 0.432 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983925959 665006793 /nfs/dbraw/zinc/00/67/93/665006793.db2.gz GARSXRYSWATORT-KJWHEZOQSA-N 2 2 366.487 0.432 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC000984017308 665014133 /nfs/dbraw/zinc/01/41/33/665014133.db2.gz ZEOQBZWSJSTLPH-FTQJZPFOSA-N 2 2 353.492 0.803 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC000984017308 665014136 /nfs/dbraw/zinc/01/41/36/665014136.db2.gz ZEOQBZWSJSTLPH-FTQJZPFOSA-N 2 2 353.492 0.803 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323563 665037982 /nfs/dbraw/zinc/03/79/82/665037982.db2.gz DMMUZZLOEQGTSH-HKUYNNGSSA-N 2 2 350.459 0.715 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323563 665037983 /nfs/dbraw/zinc/03/79/83/665037983.db2.gz DMMUZZLOEQGTSH-HKUYNNGSSA-N 2 2 350.459 0.715 20 0 FCADLP CCC[NH+]1CCC([NH2+]CC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000895488207 665046500 /nfs/dbraw/zinc/04/65/00/665046500.db2.gz VMQYWEBRHBJJIA-UHFFFAOYSA-N 2 2 368.503 0.997 20 0 FCADLP CO[C@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000895684520 665056125 /nfs/dbraw/zinc/05/61/25/665056125.db2.gz DKZFRLFUQIEAFU-RBUKOAKNSA-N 2 2 355.523 0.814 20 0 FCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000896228408 665076774 /nfs/dbraw/zinc/07/67/74/665076774.db2.gz GWZLAPQDKUYWGC-OAHLLOKOSA-N 2 2 351.495 0.371 20 0 FCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000896228408 665076776 /nfs/dbraw/zinc/07/67/76/665076776.db2.gz GWZLAPQDKUYWGC-OAHLLOKOSA-N 2 2 351.495 0.371 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896540964 665092559 /nfs/dbraw/zinc/09/25/59/665092559.db2.gz HDRRZFQFTPRXQD-UAGQMJEPSA-N 2 2 354.564 0.954 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896540964 665092562 /nfs/dbraw/zinc/09/25/62/665092562.db2.gz HDRRZFQFTPRXQD-UAGQMJEPSA-N 2 2 354.564 0.954 20 0 FCADLP Cc1noc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029766849 665171349 /nfs/dbraw/zinc/17/13/49/665171349.db2.gz HRWZCJVEBAYCGG-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1noc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029766849 665171350 /nfs/dbraw/zinc/17/13/50/665171350.db2.gz HRWZCJVEBAYCGG-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029766849 665171352 /nfs/dbraw/zinc/17/13/52/665171352.db2.gz HRWZCJVEBAYCGG-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029766849 665171353 /nfs/dbraw/zinc/17/13/53/665171353.db2.gz HRWZCJVEBAYCGG-VHDGCEQUSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)co1 ZINC001029767047 665171356 /nfs/dbraw/zinc/17/13/56/665171356.db2.gz KWFNLFXDGPXYCJ-UKPHBRMFSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)co1 ZINC001029767047 665171358 /nfs/dbraw/zinc/17/13/58/665171358.db2.gz KWFNLFXDGPXYCJ-UKPHBRMFSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)co1 ZINC001029767047 665171359 /nfs/dbraw/zinc/17/13/59/665171359.db2.gz KWFNLFXDGPXYCJ-UKPHBRMFSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)co1 ZINC001029767047 665171360 /nfs/dbraw/zinc/17/13/60/665171360.db2.gz KWFNLFXDGPXYCJ-UKPHBRMFSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)co1 ZINC001029767046 665171474 /nfs/dbraw/zinc/17/14/74/665171474.db2.gz KWFNLFXDGPXYCJ-FRFSOERESA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)co1 ZINC001029767046 665171475 /nfs/dbraw/zinc/17/14/75/665171475.db2.gz KWFNLFXDGPXYCJ-FRFSOERESA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)co1 ZINC001029767046 665171476 /nfs/dbraw/zinc/17/14/76/665171476.db2.gz KWFNLFXDGPXYCJ-FRFSOERESA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)co1 ZINC001029767046 665171478 /nfs/dbraw/zinc/17/14/78/665171478.db2.gz KWFNLFXDGPXYCJ-FRFSOERESA-N 2 2 350.463 0.982 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000905332907 666019668 /nfs/dbraw/zinc/01/96/68/666019668.db2.gz QBBLZUYHVYOFRV-UHFFFAOYSA-N 2 2 366.531 0.728 20 0 FCADLP CS[C@H]1CN(C(=O)c2cccn2CC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000907147217 666103955 /nfs/dbraw/zinc/10/39/55/666103955.db2.gz SFHYVIPQDRDRST-IRXDYDNUSA-N 2 2 366.531 0.938 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000907519131 666141701 /nfs/dbraw/zinc/14/17/01/666141701.db2.gz OVCOYTNOUVGTDE-VEZWFGLTSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000907519131 666141703 /nfs/dbraw/zinc/14/17/03/666141703.db2.gz OVCOYTNOUVGTDE-VEZWFGLTSA-N 2 2 353.507 0.791 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000908442894 666207564 /nfs/dbraw/zinc/20/75/64/666207564.db2.gz VSAMJXOIZISDHE-AWEZNQCLSA-N 2 2 351.451 0.658 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000908442894 666207566 /nfs/dbraw/zinc/20/75/66/666207566.db2.gz VSAMJXOIZISDHE-AWEZNQCLSA-N 2 2 351.451 0.658 20 0 FCADLP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000908600834 666213456 /nfs/dbraw/zinc/21/34/56/666213456.db2.gz VGNQVXSDOASJIN-KRWDZBQOSA-N 2 2 353.507 0.981 20 0 FCADLP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000908600834 666213459 /nfs/dbraw/zinc/21/34/59/666213459.db2.gz VGNQVXSDOASJIN-KRWDZBQOSA-N 2 2 353.507 0.981 20 0 FCADLP CCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069042271 666494632 /nfs/dbraw/zinc/49/46/32/666494632.db2.gz IJJOAQSPLPFUQO-UHFFFAOYSA-N 2 2 374.551 0.669 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001031765214 666495092 /nfs/dbraw/zinc/49/50/92/666495092.db2.gz DCDZRAQCEGNQKH-IUODEOHRSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001031765214 666495093 /nfs/dbraw/zinc/49/50/93/666495093.db2.gz DCDZRAQCEGNQKH-IUODEOHRSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC000069440467 666512983 /nfs/dbraw/zinc/51/29/83/666512983.db2.gz PEXQPLXRGBINEN-CYBMUJFWSA-N 2 2 360.524 0.277 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+](C)C1CC1 ZINC000069440467 666512985 /nfs/dbraw/zinc/51/29/85/666512985.db2.gz PEXQPLXRGBINEN-CYBMUJFWSA-N 2 2 360.524 0.277 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069475363 666514135 /nfs/dbraw/zinc/51/41/35/666514135.db2.gz GDRISPGZXPKFPV-UHFFFAOYSA-N 2 2 374.551 0.479 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000172584473 666602198 /nfs/dbraw/zinc/60/21/98/666602198.db2.gz SFYYSVWTRQUZHH-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000172584473 666602201 /nfs/dbraw/zinc/60/22/01/666602201.db2.gz SFYYSVWTRQUZHH-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000172584473 666602203 /nfs/dbraw/zinc/60/22/03/666602203.db2.gz SFYYSVWTRQUZHH-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000172584473 666602206 /nfs/dbraw/zinc/60/22/06/666602206.db2.gz SFYYSVWTRQUZHH-HZPDHXFCSA-N 2 2 354.495 0.949 20 0 FCADLP CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906329 667140327 /nfs/dbraw/zinc/14/03/27/667140327.db2.gz MZSJTZIJEYKWHL-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000918906329 667140332 /nfs/dbraw/zinc/14/03/32/667140332.db2.gz MZSJTZIJEYKWHL-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000919990159 667215807 /nfs/dbraw/zinc/21/58/07/667215807.db2.gz MVXLZHLHKCCELC-YOEHRIQHSA-N 2 2 354.520 0.661 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990159 667215811 /nfs/dbraw/zinc/21/58/11/667215811.db2.gz MVXLZHLHKCCELC-YOEHRIQHSA-N 2 2 354.520 0.661 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000920453360 667241004 /nfs/dbraw/zinc/24/10/04/667241004.db2.gz ZGAJSFIBHSUQED-DLBZAZTESA-N 2 2 355.527 0.280 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999492392 667241651 /nfs/dbraw/zinc/24/16/51/667241651.db2.gz ASZMZJVRRJEDQF-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999492392 667241656 /nfs/dbraw/zinc/24/16/56/667241656.db2.gz ASZMZJVRRJEDQF-IJEWVQPXSA-N 2 2 350.467 0.098 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC[C@@H](C)C3)C2)CC[N@@H+]1C ZINC001031682481 667264257 /nfs/dbraw/zinc/26/42/57/667264257.db2.gz LLXYLHDCQBUFDS-BFYDXBDKSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC[C@@H](C)C3)C2)CC[N@H+]1C ZINC001031682481 667264260 /nfs/dbraw/zinc/26/42/60/667264260.db2.gz LLXYLHDCQBUFDS-BFYDXBDKSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000922023675 667567370 /nfs/dbraw/zinc/56/73/70/667567370.db2.gz AFWAOVJAGRJVHC-QGZVFWFLSA-N 2 2 360.568 0.616 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000922023675 667567373 /nfs/dbraw/zinc/56/73/73/667567373.db2.gz AFWAOVJAGRJVHC-QGZVFWFLSA-N 2 2 360.568 0.616 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000922023654 667567395 /nfs/dbraw/zinc/56/73/95/667567395.db2.gz AFWAOVJAGRJVHC-KRWDZBQOSA-N 2 2 360.568 0.616 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000922023654 667567398 /nfs/dbraw/zinc/56/73/98/667567398.db2.gz AFWAOVJAGRJVHC-KRWDZBQOSA-N 2 2 360.568 0.616 20 0 FCADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001003137052 667598203 /nfs/dbraw/zinc/59/82/03/667598203.db2.gz HNRGMWPVFLBHOV-IUODEOHRSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001003137052 667598206 /nfs/dbraw/zinc/59/82/06/667598206.db2.gz HNRGMWPVFLBHOV-IUODEOHRSA-N 2 2 352.435 0.483 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684946 667731914 /nfs/dbraw/zinc/73/19/14/667731914.db2.gz HQIKMIZOQQUCRD-CZUORRHYSA-N 2 2 372.535 0.277 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684946 667731915 /nfs/dbraw/zinc/73/19/15/667731915.db2.gz HQIKMIZOQQUCRD-CZUORRHYSA-N 2 2 372.535 0.277 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326781 667825478 /nfs/dbraw/zinc/82/54/78/667825478.db2.gz KCPZKAYIEARQHR-ZWKOTPCHSA-N 3 2 352.523 0.092 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)C1 ZINC000923326781 667825481 /nfs/dbraw/zinc/82/54/81/667825481.db2.gz KCPZKAYIEARQHR-ZWKOTPCHSA-N 3 2 352.523 0.092 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923331783 667826553 /nfs/dbraw/zinc/82/65/53/667826553.db2.gz GCLCGQSBXHEKBM-JKSUJKDBSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000923331783 667826559 /nfs/dbraw/zinc/82/65/59/667826559.db2.gz GCLCGQSBXHEKBM-JKSUJKDBSA-N 2 2 351.422 0.462 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763130308 667944378 /nfs/dbraw/zinc/94/43/78/667944378.db2.gz POEAKVVVBTXOBF-IRXDYDNUSA-N 2 2 370.563 0.816 20 0 FCADLP CCS(=O)(=O)CC[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000743261035 668046338 /nfs/dbraw/zinc/04/63/38/668046338.db2.gz OTKSTGGQVNAKAD-UHFFFAOYSA-N 2 2 353.488 0.599 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(OCC3CC3)CC1)C2=O ZINC000743405941 668047700 /nfs/dbraw/zinc/04/77/00/668047700.db2.gz AUSINUWBVSHEFB-UHFFFAOYSA-N 2 2 350.463 0.851 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCS[C@H]3COCC[C@@H]31)C2=O ZINC000767781656 668060299 /nfs/dbraw/zinc/06/02/99/668060299.db2.gz JCYUCJVMQQQFFE-STQMWFEESA-N 2 2 354.476 0.166 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCS[C@H]3COCC[C@@H]31)C2=O ZINC000767781656 668060301 /nfs/dbraw/zinc/06/03/01/668060301.db2.gz JCYUCJVMQQQFFE-STQMWFEESA-N 2 2 354.476 0.166 20 0 FCADLP CN(C(=O)NCCC1(C)OCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771776116 668272836 /nfs/dbraw/zinc/27/28/36/668272836.db2.gz BZGUMUNFIJZFPO-MRXNPFEDSA-N 2 2 354.495 0.949 20 0 FCADLP CN(C(=O)NCCC1(C)OCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771776116 668272840 /nfs/dbraw/zinc/27/28/40/668272840.db2.gz BZGUMUNFIJZFPO-MRXNPFEDSA-N 2 2 354.495 0.949 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361973 668875290 /nfs/dbraw/zinc/87/52/90/668875290.db2.gz IANOWEGQBHOSCI-RDTXWAMCSA-N 2 2 350.463 0.838 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361973 668875291 /nfs/dbraw/zinc/87/52/91/668875291.db2.gz IANOWEGQBHOSCI-RDTXWAMCSA-N 2 2 350.463 0.838 20 0 FCADLP CCOCCO[C@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790368867 668875624 /nfs/dbraw/zinc/87/56/24/668875624.db2.gz KFDCQVBBTRFYEM-WMZOPIPTSA-N 2 2 353.463 0.988 20 0 FCADLP CCOCCO[C@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790368867 668875626 /nfs/dbraw/zinc/87/56/26/668875626.db2.gz KFDCQVBBTRFYEM-WMZOPIPTSA-N 2 2 353.463 0.988 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000793714845 668944682 /nfs/dbraw/zinc/94/46/82/668944682.db2.gz UKKNNFAXOPTCQN-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793714844 668944908 /nfs/dbraw/zinc/94/49/08/668944908.db2.gz UKKNNFAXOPTCQN-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCS(=O)(=O)CC[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000818983338 668967784 /nfs/dbraw/zinc/96/77/84/668967784.db2.gz DKTQQENDYAWSQP-UHFFFAOYSA-N 2 2 356.488 0.922 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796552275 669108101 /nfs/dbraw/zinc/10/81/01/669108101.db2.gz UZBZBRBCVQJCEV-ZACQAIPSSA-N 2 2 355.479 0.813 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796552275 669108106 /nfs/dbraw/zinc/10/81/06/669108106.db2.gz UZBZBRBCVQJCEV-ZACQAIPSSA-N 2 2 355.479 0.813 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000799907932 669322904 /nfs/dbraw/zinc/32/29/04/669322904.db2.gz KOEGVYRAAOADAD-KRWDZBQOSA-N 2 2 370.563 0.627 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@H]2OCC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829598537 669711984 /nfs/dbraw/zinc/71/19/84/669711984.db2.gz IJZRGYRGEGXHIR-BDXSIMOUSA-N 2 2 372.531 0.623 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@H]2OCC[C@@H]2C1)CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829598537 669711989 /nfs/dbraw/zinc/71/19/89/669711989.db2.gz IJZRGYRGEGXHIR-BDXSIMOUSA-N 2 2 372.531 0.623 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000837408941 670105676 /nfs/dbraw/zinc/10/56/76/670105676.db2.gz UMHHJVDMGWMADS-UHFFFAOYSA-N 2 2 371.547 0.876 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841730832 670606975 /nfs/dbraw/zinc/60/69/75/670606975.db2.gz PSOZUILMXVIMDI-SFHVURJKSA-N 2 2 368.547 0.979 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889500 671156420 /nfs/dbraw/zinc/15/64/20/671156420.db2.gz UGLRJVFOWZTATJ-XHSDSOJGSA-N 2 2 357.495 0.724 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889500 671156422 /nfs/dbraw/zinc/15/64/22/671156422.db2.gz UGLRJVFOWZTATJ-XHSDSOJGSA-N 2 2 357.495 0.724 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889500 671156423 /nfs/dbraw/zinc/15/64/23/671156423.db2.gz UGLRJVFOWZTATJ-XHSDSOJGSA-N 2 2 357.495 0.724 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889500 671156424 /nfs/dbraw/zinc/15/64/24/671156424.db2.gz UGLRJVFOWZTATJ-XHSDSOJGSA-N 2 2 357.495 0.724 20 0 FCADLP CC[C@@H](C)NC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000849010912 671316059 /nfs/dbraw/zinc/31/60/59/671316059.db2.gz UERGKVAMDOKKNJ-CQSZACIVSA-N 2 2 368.507 0.446 20 0 FCADLP CON(C)C(=O)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000858189109 671751842 /nfs/dbraw/zinc/75/18/42/671751842.db2.gz FSZQECXIPVIVHP-ZDUSSCGKSA-N 2 2 355.483 0.253 20 0 FCADLP C[C@H]([NH3+])C[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000863566298 672139523 /nfs/dbraw/zinc/13/95/23/672139523.db2.gz GYCLFDVSYQSYRP-AWEZNQCLSA-N 2 2 357.476 0.365 20 0 FCADLP C[C@H]([NH3+])C[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000863566298 672139525 /nfs/dbraw/zinc/13/95/25/672139525.db2.gz GYCLFDVSYQSYRP-AWEZNQCLSA-N 2 2 357.476 0.365 20 0 FCADLP COC(=O)C1CC[NH+](CCCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864880020 672216041 /nfs/dbraw/zinc/21/60/41/672216041.db2.gz QRKYJRZOPZCHRR-DUXPYHPUSA-N 2 2 353.463 0.266 20 0 FCADLP CN(C(=O)/C=C1\SCC(=O)N1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874460243 672786193 /nfs/dbraw/zinc/78/61/93/672786193.db2.gz SYRZKTLXFQOWSB-AYCSXLNKSA-N 2 2 352.504 0.660 20 0 FCADLP CN(C(=O)/C=C1\SCC(=O)N1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874460243 672786197 /nfs/dbraw/zinc/78/61/97/672786197.db2.gz SYRZKTLXFQOWSB-AYCSXLNKSA-N 2 2 352.504 0.660 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000875014731 672818091 /nfs/dbraw/zinc/81/80/91/672818091.db2.gz LCULVPQLZKMXQE-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000875014731 672818098 /nfs/dbraw/zinc/81/80/98/672818098.db2.gz LCULVPQLZKMXQE-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000875014731 672818103 /nfs/dbraw/zinc/81/81/03/672818103.db2.gz LCULVPQLZKMXQE-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000875014731 672818110 /nfs/dbraw/zinc/81/81/10/672818110.db2.gz LCULVPQLZKMXQE-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[N@@H+]1C1CC1 ZINC000125618692 672919306 /nfs/dbraw/zinc/91/93/06/672919306.db2.gz BFUQAPLHJMJVTB-UKRRQHHQSA-N 2 2 372.535 0.420 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000125618692 672919308 /nfs/dbraw/zinc/91/93/08/672919308.db2.gz BFUQAPLHJMJVTB-UKRRQHHQSA-N 2 2 372.535 0.420 20 0 FCADLP CN(c1ccccc1C[N@H+](C)CCS(N)(=O)=O)C1CC[NH+](C)CC1 ZINC000877827418 673028425 /nfs/dbraw/zinc/02/84/25/673028425.db2.gz SYPBNSVAWSVUKB-UHFFFAOYSA-N 2 2 354.520 0.937 20 0 FCADLP CN(c1ccccc1C[N@@H+](C)CCS(N)(=O)=O)C1CC[NH+](C)CC1 ZINC000877827418 673028429 /nfs/dbraw/zinc/02/84/29/673028429.db2.gz SYPBNSVAWSVUKB-UHFFFAOYSA-N 2 2 354.520 0.937 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197656 673046874 /nfs/dbraw/zinc/04/68/74/673046874.db2.gz GCUXPVLHJWWDFC-SJORKVTESA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197656 673046878 /nfs/dbraw/zinc/04/68/78/673046878.db2.gz GCUXPVLHJWWDFC-SJORKVTESA-N 2 2 351.491 0.811 20 0 FCADLP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051678461 676108678 /nfs/dbraw/zinc/10/86/78/676108678.db2.gz BWNHODATMYGPLW-UHOFOFEASA-N 2 2 352.435 0.019 20 0 FCADLP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051678461 676108681 /nfs/dbraw/zinc/10/86/81/676108681.db2.gz BWNHODATMYGPLW-UHOFOFEASA-N 2 2 352.435 0.019 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000880254408 673183541 /nfs/dbraw/zinc/18/35/41/673183541.db2.gz VYPQEQCELSNWMJ-CALCHBBNSA-N 2 2 350.507 0.655 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000880254408 673183545 /nfs/dbraw/zinc/18/35/45/673183545.db2.gz VYPQEQCELSNWMJ-CALCHBBNSA-N 2 2 350.507 0.655 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nccs2)C1 ZINC001051834698 676111742 /nfs/dbraw/zinc/11/17/42/676111742.db2.gz USNNHWRTYSCXKM-BFHYXJOUSA-N 2 2 361.471 0.997 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883117864 673366764 /nfs/dbraw/zinc/36/67/64/673366764.db2.gz JRVUVRUNTUNRSI-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000883271969 673370327 /nfs/dbraw/zinc/37/03/27/673370327.db2.gz ZWWPYLOFJPHCLL-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000883271969 673370335 /nfs/dbraw/zinc/37/03/35/673370335.db2.gz ZWWPYLOFJPHCLL-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP CO[C@@H]1COCC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000883417140 673374344 /nfs/dbraw/zinc/37/43/44/673374344.db2.gz OMRHVLVOYSRSGN-HYVNUMGLSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1COCC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000883417140 673374347 /nfs/dbraw/zinc/37/43/47/673374347.db2.gz OMRHVLVOYSRSGN-HYVNUMGLSA-N 2 2 354.495 0.600 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(N(C)C)[nH+]1 ZINC000887034121 673616258 /nfs/dbraw/zinc/61/62/58/673616258.db2.gz ITRXACMUERAIKT-NSHDSACASA-N 2 2 355.389 0.756 20 0 FCADLP C[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924723012 673761747 /nfs/dbraw/zinc/76/17/47/673761747.db2.gz JHXLRCYQPNKVES-HUUCEWRRSA-N 2 2 354.476 0.158 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000925597225 673795693 /nfs/dbraw/zinc/79/56/93/673795693.db2.gz LUEQOEGLSRRCQI-CVEARBPZSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000925597225 673795694 /nfs/dbraw/zinc/79/56/94/673795694.db2.gz LUEQOEGLSRRCQI-CVEARBPZSA-N 2 2 356.511 0.584 20 0 FCADLP CN(C(=O)NCCO[C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927520704 673865368 /nfs/dbraw/zinc/86/53/68/673865368.db2.gz DQGIEFRWYITXMV-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)NCCO[C@@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927520704 673865372 /nfs/dbraw/zinc/86/53/72/673865372.db2.gz DQGIEFRWYITXMV-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000929189490 673942673 /nfs/dbraw/zinc/94/26/73/673942673.db2.gz QFOQSGKELIZGHX-KBPBESRZSA-N 2 2 350.488 0.822 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000929189490 673942674 /nfs/dbraw/zinc/94/26/74/673942674.db2.gz QFOQSGKELIZGHX-KBPBESRZSA-N 2 2 350.488 0.822 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001014508523 675391835 /nfs/dbraw/zinc/39/18/35/675391835.db2.gz OETJRDWQZDNRAA-IXDOHACOSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001014508523 675391836 /nfs/dbraw/zinc/39/18/36/675391836.db2.gz OETJRDWQZDNRAA-IXDOHACOSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001014508523 675391837 /nfs/dbraw/zinc/39/18/37/675391837.db2.gz OETJRDWQZDNRAA-IXDOHACOSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)CC[NH+]1C ZINC001014508523 675391838 /nfs/dbraw/zinc/39/18/38/675391838.db2.gz OETJRDWQZDNRAA-IXDOHACOSA-N 2 2 350.507 0.966 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015354903 675395637 /nfs/dbraw/zinc/39/56/37/675395637.db2.gz ALQHMASDIFZRSK-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015354903 675395638 /nfs/dbraw/zinc/39/56/38/675395638.db2.gz ALQHMASDIFZRSK-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC001019032267 675420143 /nfs/dbraw/zinc/42/01/43/675420143.db2.gz NTWKRZKLEPEQIL-KWCYVHTRSA-N 2 2 365.503 0.825 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC001019032267 675420145 /nfs/dbraw/zinc/42/01/45/675420145.db2.gz NTWKRZKLEPEQIL-KWCYVHTRSA-N 2 2 365.503 0.825 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020256835 675438720 /nfs/dbraw/zinc/43/87/20/675438720.db2.gz FQLDGMZHQWPFDV-DHGKCCLASA-N 2 2 352.460 0.185 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020256835 675438721 /nfs/dbraw/zinc/43/87/21/675438721.db2.gz FQLDGMZHQWPFDV-DHGKCCLASA-N 2 2 352.460 0.185 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001038267216 675443064 /nfs/dbraw/zinc/44/30/64/675443064.db2.gz YTCPOSUJPZNJEE-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001038267216 675443065 /nfs/dbraw/zinc/44/30/65/675443065.db2.gz YTCPOSUJPZNJEE-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038267216 675443066 /nfs/dbraw/zinc/44/30/66/675443066.db2.gz YTCPOSUJPZNJEE-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038267216 675443067 /nfs/dbraw/zinc/44/30/67/675443067.db2.gz YTCPOSUJPZNJEE-FVQBIDKESA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@H](O)C3CCCCC3)C2)O1 ZINC001043066364 675562982 /nfs/dbraw/zinc/56/29/82/675562982.db2.gz AYBMMPDBLSGHOZ-FHLIZLRMSA-N 2 2 353.507 0.789 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@H](O)C3CCCCC3)C2)O1 ZINC001043066364 675562985 /nfs/dbraw/zinc/56/29/85/675562985.db2.gz AYBMMPDBLSGHOZ-FHLIZLRMSA-N 2 2 353.507 0.789 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606987 675699456 /nfs/dbraw/zinc/69/94/56/675699456.db2.gz WVHLMIIRRPYJOX-HZPDHXFCSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606987 675699460 /nfs/dbraw/zinc/69/94/60/675699460.db2.gz WVHLMIIRRPYJOX-HZPDHXFCSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCOC)C2)C1 ZINC000900606987 675699462 /nfs/dbraw/zinc/69/94/62/675699462.db2.gz WVHLMIIRRPYJOX-HZPDHXFCSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000900606987 675699465 /nfs/dbraw/zinc/69/94/65/675699465.db2.gz WVHLMIIRRPYJOX-HZPDHXFCSA-N 2 2 355.479 0.489 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900653107 675703956 /nfs/dbraw/zinc/70/39/56/675703956.db2.gz WKDBTLORZCCHSN-UHFFFAOYSA-N 2 2 354.539 0.973 20 0 FCADLP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900805749 675718409 /nfs/dbraw/zinc/71/84/09/675718409.db2.gz QERVLAMKDXAPRT-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900805749 675718410 /nfs/dbraw/zinc/71/84/10/675718410.db2.gz QERVLAMKDXAPRT-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)CCC2(F)F)CC[N@@H+]1C ZINC001046940932 675766894 /nfs/dbraw/zinc/76/68/94/675766894.db2.gz DWZCLEFPUXUQGI-MGPQQGTHSA-N 2 2 360.449 0.488 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N(C)C)CCC2(F)F)CC[N@H+]1C ZINC001046940932 675766897 /nfs/dbraw/zinc/76/68/97/675766897.db2.gz DWZCLEFPUXUQGI-MGPQQGTHSA-N 2 2 360.449 0.488 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N(C)C)CCC2(F)F)CC[NH+]1C ZINC001046940932 675766900 /nfs/dbraw/zinc/76/69/00/675766900.db2.gz DWZCLEFPUXUQGI-MGPQQGTHSA-N 2 2 360.449 0.488 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCC2(F)F)CC[NH+]1C ZINC001046940932 675766904 /nfs/dbraw/zinc/76/69/04/675766904.db2.gz DWZCLEFPUXUQGI-MGPQQGTHSA-N 2 2 360.449 0.488 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193344 1168220408 /nfs/dbraw/zinc/22/04/08/1168220408.db2.gz NKDLNZJNHKITGR-HRCADAONSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193344 1168220414 /nfs/dbraw/zinc/22/04/14/1168220414.db2.gz NKDLNZJNHKITGR-HRCADAONSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193344 1168220417 /nfs/dbraw/zinc/22/04/17/1168220417.db2.gz NKDLNZJNHKITGR-HRCADAONSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193344 1168220423 /nfs/dbraw/zinc/22/04/23/1168220423.db2.gz NKDLNZJNHKITGR-HRCADAONSA-N 2 2 366.506 0.107 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000970012983 1168278714 /nfs/dbraw/zinc/27/87/14/1168278714.db2.gz LTXLAFDOOJMTQE-BZUAXINKSA-N 2 2 357.462 0.623 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC000970043585 1168306702 /nfs/dbraw/zinc/30/67/02/1168306702.db2.gz UFRCUEHICMIFPA-ZHCJQAHYSA-N 2 2 371.485 0.820 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC000970043585 1168306707 /nfs/dbraw/zinc/30/67/07/1168306707.db2.gz UFRCUEHICMIFPA-ZHCJQAHYSA-N 2 2 371.485 0.820 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c1 ZINC000970095192 1168338222 /nfs/dbraw/zinc/33/82/22/1168338222.db2.gz ZXZQSRVHGQRSOP-CVEARBPZSA-N 2 2 371.441 0.016 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001167270888 1168481210 /nfs/dbraw/zinc/48/12/10/1168481210.db2.gz DRSWRNOAHUNYRU-RBSFLKMASA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001167271137 1168481915 /nfs/dbraw/zinc/48/19/15/1168481915.db2.gz GNVMPFTWSAFAOW-RBSFLKMASA-N 2 2 359.474 0.678 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104256597 1168815371 /nfs/dbraw/zinc/81/53/71/1168815371.db2.gz HLKSKBVBILHCSG-RBSFLKMASA-N 2 2 369.489 0.464 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001021235981 1168848874 /nfs/dbraw/zinc/84/88/74/1168848874.db2.gz RDVPDGHPNLNPSP-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001021235981 1168848879 /nfs/dbraw/zinc/84/88/79/1168848879.db2.gz RDVPDGHPNLNPSP-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nncn2C)O1 ZINC001021297656 1168962871 /nfs/dbraw/zinc/96/28/71/1168962871.db2.gz RLNPHIXLIAUNDC-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nncn2C)O1 ZINC001021297656 1168962904 /nfs/dbraw/zinc/96/29/04/1168962904.db2.gz RLNPHIXLIAUNDC-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nncn2C)O1 ZINC001021297656 1168962943 /nfs/dbraw/zinc/96/29/43/1168962943.db2.gz RLNPHIXLIAUNDC-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nncn2C)O1 ZINC001021297656 1168962964 /nfs/dbraw/zinc/96/29/64/1168962964.db2.gz RLNPHIXLIAUNDC-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001021385147 1169191609 /nfs/dbraw/zinc/19/16/09/1169191609.db2.gz OHALMMCHCRFPDS-SLUKUZTOSA-N 2 2 371.485 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001021385147 1169191616 /nfs/dbraw/zinc/19/16/16/1169191616.db2.gz OHALMMCHCRFPDS-SLUKUZTOSA-N 2 2 371.485 0.914 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548001095 1169203434 /nfs/dbraw/zinc/20/34/34/1169203434.db2.gz NCRWPSWWUCKSTH-OAHLLOKOSA-N 2 2 362.478 0.394 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)n1cc[nH+]c1 ZINC001021662055 1169868886 /nfs/dbraw/zinc/86/88/86/1169868886.db2.gz DVIHTPAAOOUGSW-IXDOHACOSA-N 2 2 371.485 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001021711892 1169913844 /nfs/dbraw/zinc/91/38/44/1169913844.db2.gz FOEGBFKUEISENR-GOEBONIOSA-N 2 2 356.430 0.525 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC001087141262 1170009819 /nfs/dbraw/zinc/00/98/19/1170009819.db2.gz GSLCVTJNVWJMQT-JLSDUUJJSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC001087141262 1170009825 /nfs/dbraw/zinc/00/98/25/1170009825.db2.gz GSLCVTJNVWJMQT-JLSDUUJJSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]cn4C)C[C@H]32)CC[N@@H+]1C ZINC001021802292 1170075662 /nfs/dbraw/zinc/07/56/62/1170075662.db2.gz YULFBDLTYPXTLA-CYGHRXIMSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]cn4C)C[C@H]32)CC[N@H+]1C ZINC001021802292 1170075666 /nfs/dbraw/zinc/07/56/66/1170075666.db2.gz YULFBDLTYPXTLA-CYGHRXIMSA-N 2 2 373.501 0.752 20 0 FCADLP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345124 1170123543 /nfs/dbraw/zinc/12/35/43/1170123543.db2.gz BPDLAEIDIJUAIT-HUUCEWRRSA-N 2 2 362.474 0.843 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001104347007 1170131568 /nfs/dbraw/zinc/13/15/68/1170131568.db2.gz PTTPKARNQSOSDR-RRCSTGOVSA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001104347007 1170131594 /nfs/dbraw/zinc/13/15/94/1170131594.db2.gz PTTPKARNQSOSDR-RRCSTGOVSA-N 2 2 364.494 0.406 20 0 FCADLP CCC[N@H+](C)CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001687308339 1170264860 /nfs/dbraw/zinc/26/48/60/1170264860.db2.gz NVIXMZMZPYXRHL-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001687308339 1170264866 /nfs/dbraw/zinc/26/48/66/1170264866.db2.gz NVIXMZMZPYXRHL-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988725315 1192407270 /nfs/dbraw/zinc/40/72/70/1192407270.db2.gz DKZUYKBSHZPSMD-OAGGEKHMSA-N 2 2 371.485 0.647 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)CCC1 ZINC001021937434 1170323972 /nfs/dbraw/zinc/32/39/72/1170323972.db2.gz KOANGEUMWVHNBQ-GOEBONIOSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21)C1CCC1 ZINC001021941449 1170328927 /nfs/dbraw/zinc/32/89/27/1170328927.db2.gz LYTASUAFTDEIMQ-DOTOQJQBSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21)C1CCC1 ZINC001021941449 1170328934 /nfs/dbraw/zinc/32/89/34/1170328934.db2.gz LYTASUAFTDEIMQ-DOTOQJQBSA-N 2 2 359.474 0.817 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001021941839 1170330834 /nfs/dbraw/zinc/33/08/34/1170330834.db2.gz UMTFAVSHHXEVKN-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001021941839 1170330841 /nfs/dbraw/zinc/33/08/41/1170330841.db2.gz UMTFAVSHHXEVKN-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000327568437 1170372404 /nfs/dbraw/zinc/37/24/04/1170372404.db2.gz PICLQWBWXMWWHS-INIZCTEOSA-N 2 2 368.459 0.922 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001022038408 1170455743 /nfs/dbraw/zinc/45/57/43/1170455743.db2.gz PQLFIPIQVKZBLY-DLBZAZTESA-N 2 2 371.485 0.818 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1)[NH+]1CCCC1 ZINC001022038673 1170456570 /nfs/dbraw/zinc/45/65/70/1170456570.db2.gz ZCRVDYLPXDABPS-JKSUJKDBSA-N 2 2 359.474 0.817 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022037745 1170460252 /nfs/dbraw/zinc/46/02/52/1170460252.db2.gz BYPNKULSIMIYLQ-YESZJQIVSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022037745 1170460257 /nfs/dbraw/zinc/46/02/57/1170460257.db2.gz BYPNKULSIMIYLQ-YESZJQIVSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104367378 1170653733 /nfs/dbraw/zinc/65/37/33/1170653733.db2.gz QMJTXMGQQNMUQH-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022210585 1170749512 /nfs/dbraw/zinc/74/95/12/1170749512.db2.gz FMJUDCFJLXJQSU-HLLBOEOZSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022210585 1170749518 /nfs/dbraw/zinc/74/95/18/1170749518.db2.gz FMJUDCFJLXJQSU-HLLBOEOZSA-N 2 2 359.474 0.662 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)C1CC1 ZINC001022251250 1170806442 /nfs/dbraw/zinc/80/64/42/1170806442.db2.gz HCBWLGRBFRMRST-JZXOWHBKSA-N 2 2 359.474 0.673 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnn(C)n2)CC[N@@H+]1C ZINC001087168245 1170809450 /nfs/dbraw/zinc/80/94/50/1170809450.db2.gz BJQWCCYCSVZQDA-FXUDXRNXSA-N 2 2 363.510 0.657 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnn(C)n2)CC[N@H+]1C ZINC001087168245 1170809451 /nfs/dbraw/zinc/80/94/51/1170809451.db2.gz BJQWCCYCSVZQDA-FXUDXRNXSA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087175509 1170872616 /nfs/dbraw/zinc/87/26/16/1170872616.db2.gz QYMFCGHRINAYRF-HIFRSBDPSA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087175509 1170872617 /nfs/dbraw/zinc/87/26/17/1170872617.db2.gz QYMFCGHRINAYRF-HIFRSBDPSA-N 2 2 364.494 0.309 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001087181419 1171037473 /nfs/dbraw/zinc/03/74/73/1171037473.db2.gz QJOZFLBAYXDMES-LUYZLQTOSA-N 2 2 364.494 0.549 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001087181419 1171037484 /nfs/dbraw/zinc/03/74/84/1171037484.db2.gz QJOZFLBAYXDMES-LUYZLQTOSA-N 2 2 364.494 0.549 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001691286460 1171038959 /nfs/dbraw/zinc/03/89/59/1171038959.db2.gz WNLTZICVDUJGHI-HYVNUMGLSA-N 2 2 360.462 0.362 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CCCO ZINC001691324152 1171096049 /nfs/dbraw/zinc/09/60/49/1171096049.db2.gz YDVPAYLBYVKWSM-ARFHVFGLSA-N 2 2 350.463 0.281 20 0 FCADLP C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087184728 1171145059 /nfs/dbraw/zinc/14/50/59/1171145059.db2.gz ZVMZBENIEKEDLX-VNHYZAJKSA-N 2 2 363.462 0.455 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001022472924 1171252242 /nfs/dbraw/zinc/25/22/42/1171252242.db2.gz FPIQYBMBEZPXES-AVEIZBFRSA-N 2 2 367.490 0.140 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235251 1171509409 /nfs/dbraw/zinc/50/94/09/1171509409.db2.gz UJMBYTFBHSSHCI-XOKHGSTOSA-N 2 2 357.414 0.173 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235251 1171509416 /nfs/dbraw/zinc/50/94/16/1171509416.db2.gz UJMBYTFBHSSHCI-XOKHGSTOSA-N 2 2 357.414 0.173 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001022718771 1171810594 /nfs/dbraw/zinc/81/05/94/1171810594.db2.gz YJMFBOFDYLNKRL-JLJPHGGASA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001022718771 1171810596 /nfs/dbraw/zinc/81/05/96/1171810596.db2.gz YJMFBOFDYLNKRL-JLJPHGGASA-N 2 2 359.474 0.804 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]21 ZINC000972252955 1171886448 /nfs/dbraw/zinc/88/64/48/1171886448.db2.gz KWIZRWKIZAAMQQ-JFIYKMOQSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001267144576 1171890916 /nfs/dbraw/zinc/89/09/16/1171890916.db2.gz BAMFBJBQPXVQML-NUEKZKHPSA-N 2 2 357.458 0.907 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3COCC[NH2+]3)C2)c1 ZINC000892288576 1172016145 /nfs/dbraw/zinc/01/61/45/1172016145.db2.gz DCFGKRMBIPFZIO-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3COCC[NH2+]3)C2)c1 ZINC000892288576 1172016154 /nfs/dbraw/zinc/01/61/54/1172016154.db2.gz DCFGKRMBIPFZIO-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cn1 ZINC001083249693 1172025379 /nfs/dbraw/zinc/02/53/79/1172025379.db2.gz RJNIUMKQSWKHNQ-BPQIPLTHSA-N 2 2 371.485 0.853 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cn1 ZINC001083249693 1172025393 /nfs/dbraw/zinc/02/53/93/1172025393.db2.gz RJNIUMKQSWKHNQ-BPQIPLTHSA-N 2 2 371.485 0.853 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022842174 1172053115 /nfs/dbraw/zinc/05/31/15/1172053115.db2.gz BKFXIWIWCAXFCI-BHYGNILZSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022842174 1172053127 /nfs/dbraw/zinc/05/31/27/1172053127.db2.gz BKFXIWIWCAXFCI-BHYGNILZSA-N 2 2 359.474 0.884 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C)[NH+](C)C ZINC000988812082 1192520178 /nfs/dbraw/zinc/52/01/78/1192520178.db2.gz WDJXKVMHYOIKJS-INWMFGNUSA-N 2 2 365.478 0.796 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000989052031 1192661053 /nfs/dbraw/zinc/66/10/53/1192661053.db2.gz ILFJCGRMNYNZPX-INMHGKMJSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000989052031 1192661058 /nfs/dbraw/zinc/66/10/58/1192661058.db2.gz ILFJCGRMNYNZPX-INMHGKMJSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989066370 1192670500 /nfs/dbraw/zinc/67/05/00/1192670500.db2.gz FNFIIBXBRNQXLI-DOMZBBRYSA-N 2 2 356.430 0.833 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001272166830 1192684177 /nfs/dbraw/zinc/68/41/77/1192684177.db2.gz QFGANTNPDFBYRB-USXIJHARSA-N 2 2 357.458 0.496 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC2(C1)CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272184405 1192707838 /nfs/dbraw/zinc/70/78/38/1192707838.db2.gz OUKGUESNIGENFN-INIZCTEOSA-N 2 2 357.458 0.428 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1[C@@H]2C[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272184407 1192707914 /nfs/dbraw/zinc/70/79/14/1192707914.db2.gz OVEMADSNZVJUEW-BBWFWOEESA-N 2 2 357.458 0.569 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000989191190 1192733161 /nfs/dbraw/zinc/73/31/61/1192733161.db2.gz NDKJFJSMTZOCHP-BMFZPTHFSA-N 2 2 359.474 0.708 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000989230666 1192759636 /nfs/dbraw/zinc/75/96/36/1192759636.db2.gz BHYQNSWHTQAFRN-PMPSAXMXSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000459987963 1192784136 /nfs/dbraw/zinc/78/41/36/1192784136.db2.gz AIDHQXHMSCMXOW-KRWDZBQOSA-N 2 2 370.538 0.338 20 0 FCADLP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658794 1192806199 /nfs/dbraw/zinc/80/61/99/1192806199.db2.gz VWNWDFBBAODYPE-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658794 1192806200 /nfs/dbraw/zinc/80/62/00/1192806200.db2.gz VWNWDFBBAODYPE-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1cccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658794 1192806202 /nfs/dbraw/zinc/80/62/02/1192806202.db2.gz VWNWDFBBAODYPE-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1cccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1 ZINC001088658794 1192806203 /nfs/dbraw/zinc/80/62/03/1192806203.db2.gz VWNWDFBBAODYPE-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088663623 1192809678 /nfs/dbraw/zinc/80/96/78/1192809678.db2.gz MKIOLCLAYPZWAI-YPMHNXCESA-N 2 2 370.413 0.307 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCN1C(=O)CNC1=O ZINC001088663623 1192809682 /nfs/dbraw/zinc/80/96/82/1192809682.db2.gz MKIOLCLAYPZWAI-YPMHNXCESA-N 2 2 370.413 0.307 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000989385954 1192825972 /nfs/dbraw/zinc/82/59/72/1192825972.db2.gz NJDSSAIRNBOCFU-OWCLPIDISA-N 2 2 363.462 0.098 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000989385954 1192825974 /nfs/dbraw/zinc/82/59/74/1192825974.db2.gz NJDSSAIRNBOCFU-OWCLPIDISA-N 2 2 363.462 0.098 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000842056657 1192864907 /nfs/dbraw/zinc/86/49/07/1192864907.db2.gz BTKIDSHRRKGAOB-CZUORRHYSA-N 2 2 357.414 0.063 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943649 1192872405 /nfs/dbraw/zinc/87/24/05/1192872405.db2.gz ZURPSDSGQZGNEL-AETAKHFUSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943649 1192872407 /nfs/dbraw/zinc/87/24/07/1192872407.db2.gz ZURPSDSGQZGNEL-AETAKHFUSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943649 1192872408 /nfs/dbraw/zinc/87/24/08/1192872408.db2.gz ZURPSDSGQZGNEL-AETAKHFUSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943649 1192872411 /nfs/dbraw/zinc/87/24/11/1192872411.db2.gz ZURPSDSGQZGNEL-AETAKHFUSA-N 2 2 361.490 0.480 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000989499891 1192875040 /nfs/dbraw/zinc/87/50/40/1192875040.db2.gz XEHBPOFUOZLBII-XUWXXGDYSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001691579004 1192891645 /nfs/dbraw/zinc/89/16/45/1192891645.db2.gz UYJFKKLEJBIVEF-CABCVRRESA-N 2 2 361.490 0.658 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001691579004 1192891648 /nfs/dbraw/zinc/89/16/48/1192891648.db2.gz UYJFKKLEJBIVEF-CABCVRRESA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104468659 1179072574 /nfs/dbraw/zinc/07/25/74/1179072574.db2.gz OBYZGCSBUCWKEW-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000052364725 1179079032 /nfs/dbraw/zinc/07/90/32/1179079032.db2.gz CSQRAXYHAWAKGW-UHFFFAOYSA-N 2 2 353.386 0.836 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001087240695 1179381670 /nfs/dbraw/zinc/38/16/70/1179381670.db2.gz OHPVLDRZCYQVTB-KWCYVHTRSA-N 2 2 361.446 0.283 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001023380976 1179510583 /nfs/dbraw/zinc/51/05/83/1179510583.db2.gz KPJRPMUTZXEKBT-IJEWVQPXSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001023380976 1179510597 /nfs/dbraw/zinc/51/05/97/1179510597.db2.gz KPJRPMUTZXEKBT-IJEWVQPXSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001023380976 1179510611 /nfs/dbraw/zinc/51/06/11/1179510611.db2.gz KPJRPMUTZXEKBT-IJEWVQPXSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001023380976 1179510619 /nfs/dbraw/zinc/51/06/19/1179510619.db2.gz KPJRPMUTZXEKBT-IJEWVQPXSA-N 2 2 361.494 0.676 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](CCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001023427562 1179691068 /nfs/dbraw/zinc/69/10/68/1179691068.db2.gz MPOVYNVEKBZIDG-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP 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C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC000974632988 1183396441 /nfs/dbraw/zinc/39/64/41/1183396441.db2.gz KGCZGZRRCFZXJK-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC000974632988 1183396443 /nfs/dbraw/zinc/39/64/43/1183396443.db2.gz KGCZGZRRCFZXJK-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1)[NH+](C)C ZINC000974766840 1183521518 /nfs/dbraw/zinc/52/15/18/1183521518.db2.gz XRCZRNOBJSBSRB-BZUAXINKSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000975209628 1183772835 /nfs/dbraw/zinc/77/28/35/1183772835.db2.gz CXVUNWCUZJPONJ-BFYDXBDKSA-N 2 2 359.474 0.506 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000975209628 1183772843 /nfs/dbraw/zinc/77/28/43/1183772843.db2.gz CXVUNWCUZJPONJ-BFYDXBDKSA-N 2 2 359.474 0.506 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)CCC1 ZINC000975762285 1185693471 /nfs/dbraw/zinc/69/34/71/1185693471.db2.gz YJMYFHBCVWHQDF-HOTGVXAUSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC000975811107 1185806038 /nfs/dbraw/zinc/80/60/38/1185806038.db2.gz MFRMVCLFGXZSMR-RDJZCZTQSA-N 2 2 370.457 0.617 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000978961076 1186037160 /nfs/dbraw/zinc/03/71/60/1186037160.db2.gz TUNPDIRSSLSNQM-AALSBFMBSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000978961076 1186037166 /nfs/dbraw/zinc/03/71/66/1186037166.db2.gz TUNPDIRSSLSNQM-AALSBFMBSA-N 2 2 359.474 0.866 20 0 FCADLP Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001058813501 1186109024 /nfs/dbraw/zinc/10/90/24/1186109024.db2.gz MPSILLJCDGRYFK-MXASKKJJSA-N 2 2 359.474 0.992 20 0 FCADLP Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001058813501 1186109030 /nfs/dbraw/zinc/10/90/30/1186109030.db2.gz MPSILLJCDGRYFK-MXASKKJJSA-N 2 2 359.474 0.992 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000979988020 1186156956 /nfs/dbraw/zinc/15/69/56/1186156956.db2.gz QFJKVCGXHNARAU-DTZQCDIJSA-N 2 2 359.474 0.866 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000979988020 1186156959 /nfs/dbraw/zinc/15/69/59/1186156959.db2.gz QFJKVCGXHNARAU-DTZQCDIJSA-N 2 2 359.474 0.866 20 0 FCADLP CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001481519266 1186221378 /nfs/dbraw/zinc/22/13/78/1186221378.db2.gz ZDXKMPKUBSJJCV-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP COc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966212 1186240971 /nfs/dbraw/zinc/24/09/71/1186240971.db2.gz MCRNHDFGRLUKCA-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966212 1186240979 /nfs/dbraw/zinc/24/09/79/1186240979.db2.gz MCRNHDFGRLUKCA-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027966212 1186240985 /nfs/dbraw/zinc/24/09/85/1186240985.db2.gz MCRNHDFGRLUKCA-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027966212 1186240989 /nfs/dbraw/zinc/24/09/89/1186240989.db2.gz MCRNHDFGRLUKCA-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC001027966804 1186242156 /nfs/dbraw/zinc/24/21/56/1186242156.db2.gz VTDRPHVZRLTFKE-QGPMSJSTSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC001027966804 1186242160 /nfs/dbraw/zinc/24/21/60/1186242160.db2.gz VTDRPHVZRLTFKE-QGPMSJSTSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001027966804 1186242170 /nfs/dbraw/zinc/24/21/70/1186242170.db2.gz VTDRPHVZRLTFKE-QGPMSJSTSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001027966804 1186242174 /nfs/dbraw/zinc/24/21/74/1186242174.db2.gz VTDRPHVZRLTFKE-QGPMSJSTSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ccn1 ZINC000981435329 1186417488 /nfs/dbraw/zinc/41/74/88/1186417488.db2.gz DCQCSUUHUQDQJJ-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)ccn1 ZINC000981435329 1186417494 /nfs/dbraw/zinc/41/74/94/1186417494.db2.gz DCQCSUUHUQDQJJ-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ccn1 ZINC000981435329 1186417498 /nfs/dbraw/zinc/41/74/98/1186417498.db2.gz DCQCSUUHUQDQJJ-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1cc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ccn1 ZINC000981435329 1186417500 /nfs/dbraw/zinc/41/75/00/1186417500.db2.gz DCQCSUUHUQDQJJ-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC000981638681 1186472204 /nfs/dbraw/zinc/47/22/04/1186472204.db2.gz TUWQTNJWGQWYST-QKPAOTATSA-N 2 2 363.462 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC000981638681 1186472209 /nfs/dbraw/zinc/47/22/09/1186472209.db2.gz TUWQTNJWGQWYST-QKPAOTATSA-N 2 2 363.462 0.003 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001028145082 1186552457 /nfs/dbraw/zinc/55/24/57/1186552457.db2.gz HJVSRWNWGQSTRF-ARFHVFGLSA-N 2 2 359.474 0.725 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001028145082 1186552460 /nfs/dbraw/zinc/55/24/60/1186552460.db2.gz HJVSRWNWGQSTRF-ARFHVFGLSA-N 2 2 359.474 0.725 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001481625716 1186598711 /nfs/dbraw/zinc/59/87/11/1186598711.db2.gz NSPDUMXVLAWJAO-GDBMZVCRSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481625716 1186598712 /nfs/dbraw/zinc/59/87/12/1186598712.db2.gz NSPDUMXVLAWJAO-GDBMZVCRSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007102 1186622150 /nfs/dbraw/zinc/62/21/50/1186622150.db2.gz UPXBKVDBOFOLKV-JQHSSLGASA-N 2 2 358.486 0.740 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007102 1186622151 /nfs/dbraw/zinc/62/21/51/1186622151.db2.gz UPXBKVDBOFOLKV-JQHSSLGASA-N 2 2 358.486 0.740 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007102 1186622153 /nfs/dbraw/zinc/62/21/53/1186622153.db2.gz UPXBKVDBOFOLKV-JQHSSLGASA-N 2 2 358.486 0.740 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007102 1186622154 /nfs/dbraw/zinc/62/21/54/1186622154.db2.gz UPXBKVDBOFOLKV-JQHSSLGASA-N 2 2 358.486 0.740 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443654 1187520492 /nfs/dbraw/zinc/52/04/92/1187520492.db2.gz YEPHEUKBFTWKIK-CGTJXYLNSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443654 1187520496 /nfs/dbraw/zinc/52/04/96/1187520496.db2.gz YEPHEUKBFTWKIK-CGTJXYLNSA-N 2 2 358.486 0.930 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443640 1187520554 /nfs/dbraw/zinc/52/05/54/1187520554.db2.gz XLIFMZZLTKINMR-RCCFBDPRSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443640 1187520557 /nfs/dbraw/zinc/52/05/57/1187520557.db2.gz XLIFMZZLTKINMR-RCCFBDPRSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443640 1187520561 /nfs/dbraw/zinc/52/05/61/1187520561.db2.gz XLIFMZZLTKINMR-RCCFBDPRSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087443640 1187520564 /nfs/dbraw/zinc/52/05/64/1187520564.db2.gz XLIFMZZLTKINMR-RCCFBDPRSA-N 2 2 358.486 0.658 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982570730 1187584333 /nfs/dbraw/zinc/58/43/33/1187584333.db2.gz DQEGYJXHCSHXCL-WJJKDBDQSA-N 2 2 371.485 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982570730 1187584336 /nfs/dbraw/zinc/58/43/36/1187584336.db2.gz DQEGYJXHCSHXCL-WJJKDBDQSA-N 2 2 371.485 0.583 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001028550217 1187602269 /nfs/dbraw/zinc/60/22/69/1187602269.db2.gz LATGZCUTMKHDHX-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001028550217 1187602273 /nfs/dbraw/zinc/60/22/73/1187602273.db2.gz LATGZCUTMKHDHX-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001028550217 1187602276 /nfs/dbraw/zinc/60/22/76/1187602276.db2.gz LATGZCUTMKHDHX-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001028550217 1187602279 /nfs/dbraw/zinc/60/22/79/1187602279.db2.gz LATGZCUTMKHDHX-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001028551379 1187602364 /nfs/dbraw/zinc/60/23/64/1187602364.db2.gz NQYCBCFPLVVYBU-HRCADAONSA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001028551379 1187602366 /nfs/dbraw/zinc/60/23/66/1187602366.db2.gz NQYCBCFPLVVYBU-HRCADAONSA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nnnn3C(C)C)C2)CC[NH+]1C ZINC001028551379 1187602368 /nfs/dbraw/zinc/60/23/68/1187602368.db2.gz NQYCBCFPLVVYBU-HRCADAONSA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nnnn3C(C)C)C2)CC[NH+]1C ZINC001028551379 1187602370 /nfs/dbraw/zinc/60/23/70/1187602370.db2.gz NQYCBCFPLVVYBU-HRCADAONSA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001028550589 1187602601 /nfs/dbraw/zinc/60/26/01/1187602601.db2.gz CZGNYAMXQRPPPU-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001028550589 1187602605 /nfs/dbraw/zinc/60/26/05/1187602605.db2.gz CZGNYAMXQRPPPU-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550589 1187602609 /nfs/dbraw/zinc/60/26/09/1187602609.db2.gz CZGNYAMXQRPPPU-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550589 1187602613 /nfs/dbraw/zinc/60/26/13/1187602613.db2.gz CZGNYAMXQRPPPU-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC000982696149 1187619671 /nfs/dbraw/zinc/61/96/71/1187619671.db2.gz OFRHSVKGAKKVKM-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC000982696149 1187619674 /nfs/dbraw/zinc/61/96/74/1187619674.db2.gz OFRHSVKGAKKVKM-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP Cc1ccc(C)c(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083373069 1187695948 /nfs/dbraw/zinc/69/59/48/1187695948.db2.gz QLICPROQQOJVGF-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083373069 1187695956 /nfs/dbraw/zinc/69/59/56/1187695956.db2.gz QLICPROQQOJVGF-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083373069 1187695964 /nfs/dbraw/zinc/69/59/64/1187695964.db2.gz QLICPROQQOJVGF-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083373069 1187695970 /nfs/dbraw/zinc/69/59/70/1187695970.db2.gz QLICPROQQOJVGF-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP CC(C)c1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628746 1187756619 /nfs/dbraw/zinc/75/66/19/1187756619.db2.gz YSZUUQSKDCDWMA-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628746 1187756623 /nfs/dbraw/zinc/75/66/23/1187756623.db2.gz YSZUUQSKDCDWMA-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628746 1187756626 /nfs/dbraw/zinc/75/66/26/1187756626.db2.gz YSZUUQSKDCDWMA-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628746 1187756630 /nfs/dbraw/zinc/75/66/30/1187756630.db2.gz YSZUUQSKDCDWMA-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628480 1187756932 /nfs/dbraw/zinc/75/69/32/1187756932.db2.gz UFNFGDDVNKLSPI-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628480 1187756938 /nfs/dbraw/zinc/75/69/38/1187756938.db2.gz UFNFGDDVNKLSPI-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628480 1187756944 /nfs/dbraw/zinc/75/69/44/1187756944.db2.gz UFNFGDDVNKLSPI-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001028628480 1187756950 /nfs/dbraw/zinc/75/69/50/1187756950.db2.gz UFNFGDDVNKLSPI-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)n1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629702 1187757606 /nfs/dbraw/zinc/75/76/06/1187757606.db2.gz QSCLIJTVSMBBAX-BFYDXBDKSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629702 1187757615 /nfs/dbraw/zinc/75/76/15/1187757615.db2.gz QSCLIJTVSMBBAX-BFYDXBDKSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1cc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629702 1187757625 /nfs/dbraw/zinc/75/76/25/1187757625.db2.gz QSCLIJTVSMBBAX-BFYDXBDKSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1cc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629702 1187757632 /nfs/dbraw/zinc/75/76/32/1187757632.db2.gz QSCLIJTVSMBBAX-BFYDXBDKSA-N 2 2 364.494 0.516 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001691505926 1187974155 /nfs/dbraw/zinc/97/41/55/1187974155.db2.gz IFLGDJNAOIYOJU-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001691505926 1187974158 /nfs/dbraw/zinc/97/41/58/1187974158.db2.gz IFLGDJNAOIYOJU-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001691505926 1187974162 /nfs/dbraw/zinc/97/41/62/1187974162.db2.gz IFLGDJNAOIYOJU-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001691505926 1187974168 /nfs/dbraw/zinc/97/41/68/1187974168.db2.gz IFLGDJNAOIYOJU-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000549978271 1187977979 /nfs/dbraw/zinc/97/79/79/1187977979.db2.gz AISZFLFLLLRAQM-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000549978271 1187977982 /nfs/dbraw/zinc/97/79/82/1187977982.db2.gz AISZFLFLLLRAQM-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000983372894 1188024742 /nfs/dbraw/zinc/02/47/42/1188024742.db2.gz MXXIZMWHYSBVKI-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000983372894 1188024747 /nfs/dbraw/zinc/02/47/47/1188024747.db2.gz MXXIZMWHYSBVKI-VNQPRFMTSA-N 2 2 363.462 0.026 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1=O ZINC001270329131 1188096823 /nfs/dbraw/zinc/09/68/23/1188096823.db2.gz MBHLWGKWAKSCLU-IFXJQAMLSA-N 2 2 359.474 0.985 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000550033386 1188212947 /nfs/dbraw/zinc/21/29/47/1188212947.db2.gz CHQZONBPKPCLHW-KRWDZBQOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCN(C)CC1 ZINC000550381483 1188344249 /nfs/dbraw/zinc/34/42/49/1188344249.db2.gz KJWMLRYOPSHPQR-QGZVFWFLSA-N 2 2 369.554 0.173 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983929156 1188400402 /nfs/dbraw/zinc/40/04/02/1188400402.db2.gz ZUEJTBNIYWSSSY-KJWHEZOQSA-N 2 2 355.446 0.777 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983929156 1188400407 /nfs/dbraw/zinc/40/04/07/1188400407.db2.gz ZUEJTBNIYWSSSY-KJWHEZOQSA-N 2 2 355.446 0.777 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984013392 1189372785 /nfs/dbraw/zinc/37/27/85/1189372785.db2.gz IMXQNTJCNPHMSH-KBUPBQIOSA-N 2 2 364.494 0.632 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984013392 1189372794 /nfs/dbraw/zinc/37/27/94/1189372794.db2.gz IMXQNTJCNPHMSH-KBUPBQIOSA-N 2 2 364.494 0.632 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029404253 1189608648 /nfs/dbraw/zinc/60/86/48/1189608648.db2.gz ZLYKRWLVYISSGU-HCXYKTFWSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029404253 1189608673 /nfs/dbraw/zinc/60/86/73/1189608673.db2.gz ZLYKRWLVYISSGU-HCXYKTFWSA-N 2 2 363.502 0.951 20 0 FCADLP COC(=O)[C@@H]1CN(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C(=O)O1 ZINC000840047401 1189821616 /nfs/dbraw/zinc/82/16/16/1189821616.db2.gz VMLXPYYBNXWROG-HNNXBMFYSA-N 2 2 368.478 0.287 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cnc(C)cn1 ZINC001087837187 1189845875 /nfs/dbraw/zinc/84/58/75/1189845875.db2.gz XNVUSUUIZWIKPJ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cnc(C)cn1 ZINC001087837187 1189845877 /nfs/dbraw/zinc/84/58/77/1189845877.db2.gz XNVUSUUIZWIKPJ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)cn1 ZINC001087837187 1189845879 /nfs/dbraw/zinc/84/58/79/1189845879.db2.gz XNVUSUUIZWIKPJ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)cn1 ZINC001087837187 1189845881 /nfs/dbraw/zinc/84/58/81/1189845881.db2.gz XNVUSUUIZWIKPJ-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908624 1189894056 /nfs/dbraw/zinc/89/40/56/1189894056.db2.gz IGYONBYLIUJEEO-QLFBSQMISA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908624 1189894057 /nfs/dbraw/zinc/89/40/57/1189894057.db2.gz IGYONBYLIUJEEO-QLFBSQMISA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908624 1189894062 /nfs/dbraw/zinc/89/40/62/1189894062.db2.gz IGYONBYLIUJEEO-QLFBSQMISA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908624 1189894066 /nfs/dbraw/zinc/89/40/66/1189894066.db2.gz IGYONBYLIUJEEO-QLFBSQMISA-N 2 2 363.462 0.591 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908986 1189894923 /nfs/dbraw/zinc/89/49/23/1189894923.db2.gz UYECCYAUZCGINC-OWCLPIDISA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908986 1189894924 /nfs/dbraw/zinc/89/49/24/1189894924.db2.gz UYECCYAUZCGINC-OWCLPIDISA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908986 1189894927 /nfs/dbraw/zinc/89/49/27/1189894927.db2.gz UYECCYAUZCGINC-OWCLPIDISA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908986 1189894930 /nfs/dbraw/zinc/89/49/30/1189894930.db2.gz UYECCYAUZCGINC-OWCLPIDISA-N 2 2 361.494 0.458 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920143 1189904900 /nfs/dbraw/zinc/90/49/00/1189904900.db2.gz GCPJUWAELFSDDB-SOLBZPMBSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920143 1189904903 /nfs/dbraw/zinc/90/49/03/1189904903.db2.gz GCPJUWAELFSDDB-SOLBZPMBSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920143 1189904907 /nfs/dbraw/zinc/90/49/07/1189904907.db2.gz GCPJUWAELFSDDB-SOLBZPMBSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)nn1C ZINC001087920143 1189904910 /nfs/dbraw/zinc/90/49/10/1189904910.db2.gz GCPJUWAELFSDDB-SOLBZPMBSA-N 2 2 361.490 0.339 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001029480104 1190101560 /nfs/dbraw/zinc/10/15/60/1190101560.db2.gz JPEDJMBMVNOCOI-XLWJZTARSA-N 2 2 371.441 0.004 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001029480104 1190101561 /nfs/dbraw/zinc/10/15/61/1190101561.db2.gz JPEDJMBMVNOCOI-XLWJZTARSA-N 2 2 371.441 0.004 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986626 1190118868 /nfs/dbraw/zinc/11/88/68/1190118868.db2.gz URKDIUJGFJHBJK-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986626 1190118873 /nfs/dbraw/zinc/11/88/73/1190118873.db2.gz URKDIUJGFJHBJK-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986626 1190118878 /nfs/dbraw/zinc/11/88/78/1190118878.db2.gz URKDIUJGFJHBJK-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986626 1190118884 /nfs/dbraw/zinc/11/88/84/1190118884.db2.gz URKDIUJGFJHBJK-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccn4C)CC[C@@H]3C2)O1 ZINC001088011901 1190210438 /nfs/dbraw/zinc/21/04/38/1190210438.db2.gz JPLKKGLPRAJYGY-WCXIOVBPSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccn4C)CC[C@@H]3C2)O1 ZINC001088011901 1190210439 /nfs/dbraw/zinc/21/04/39/1190210439.db2.gz JPLKKGLPRAJYGY-WCXIOVBPSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nccn4C)CC[C@@H]3C2)O1 ZINC001088011901 1190210441 /nfs/dbraw/zinc/21/04/41/1190210441.db2.gz JPLKKGLPRAJYGY-WCXIOVBPSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nccn4C)CC[C@@H]3C2)O1 ZINC001088011901 1190210443 /nfs/dbraw/zinc/21/04/43/1190210443.db2.gz JPLKKGLPRAJYGY-WCXIOVBPSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncccn4)CC[C@@H]3C2)O1 ZINC001088012154 1190210511 /nfs/dbraw/zinc/21/05/11/1190210511.db2.gz VJUVGFDJNJTDRN-WCXIOVBPSA-N 2 2 359.474 0.476 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncccn4)CC[C@@H]3C2)O1 ZINC001088012154 1190210518 /nfs/dbraw/zinc/21/05/18/1190210518.db2.gz VJUVGFDJNJTDRN-WCXIOVBPSA-N 2 2 359.474 0.476 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncccn4)CC[C@@H]3C2)O1 ZINC001088012154 1190210527 /nfs/dbraw/zinc/21/05/27/1190210527.db2.gz VJUVGFDJNJTDRN-WCXIOVBPSA-N 2 2 359.474 0.476 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncccn4)CC[C@@H]3C2)O1 ZINC001088012154 1190210531 /nfs/dbraw/zinc/21/05/31/1190210531.db2.gz VJUVGFDJNJTDRN-WCXIOVBPSA-N 2 2 359.474 0.476 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088019119 1190233610 /nfs/dbraw/zinc/23/36/10/1190233610.db2.gz XNRGQWFMXLIEOM-BBWFWOEESA-N 2 2 369.473 0.518 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088019119 1190233616 /nfs/dbraw/zinc/23/36/16/1190233616.db2.gz XNRGQWFMXLIEOM-BBWFWOEESA-N 2 2 369.473 0.518 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021226 1190241363 /nfs/dbraw/zinc/24/13/63/1190241363.db2.gz AYDYVWLTUHPJOY-KGLIPLIRSA-N 2 2 363.462 0.218 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021226 1190241366 /nfs/dbraw/zinc/24/13/66/1190241366.db2.gz AYDYVWLTUHPJOY-KGLIPLIRSA-N 2 2 363.462 0.218 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000984904215 1190247968 /nfs/dbraw/zinc/24/79/68/1190247968.db2.gz UXUSYIPKUDTNNS-JKSUJKDBSA-N 2 2 358.446 0.663 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000984904681 1190251537 /nfs/dbraw/zinc/25/15/37/1190251537.db2.gz DIPYACWSXKYCJK-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000984904681 1190251540 /nfs/dbraw/zinc/25/15/40/1190251540.db2.gz DIPYACWSXKYCJK-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)nn1 ZINC001088042200 1190300073 /nfs/dbraw/zinc/30/00/73/1190300073.db2.gz CIRNSQBEBTYSEW-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)nn1 ZINC001088042200 1190300078 /nfs/dbraw/zinc/30/00/78/1190300078.db2.gz CIRNSQBEBTYSEW-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088043343 1190302443 /nfs/dbraw/zinc/30/24/43/1190302443.db2.gz MQTXWLGRQTYYGD-VKJFTORMSA-N 2 2 371.485 0.431 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088043343 1190302448 /nfs/dbraw/zinc/30/24/48/1190302448.db2.gz MQTXWLGRQTYYGD-VKJFTORMSA-N 2 2 371.485 0.431 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)N1CCC1 ZINC001088102312 1190586243 /nfs/dbraw/zinc/58/62/43/1190586243.db2.gz ZJTLVVPCQJQZGE-OWCLPIDISA-N 2 2 371.485 0.842 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)N1CCC1 ZINC001088102312 1190586252 /nfs/dbraw/zinc/58/62/52/1190586252.db2.gz ZJTLVVPCQJQZGE-OWCLPIDISA-N 2 2 371.485 0.842 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)cc1=O ZINC001088121124 1190614139 /nfs/dbraw/zinc/61/41/39/1190614139.db2.gz PKRYWGIOKMZSLH-CVEARBPZSA-N 2 2 355.442 0.631 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)cc1=O ZINC001088121124 1190614144 /nfs/dbraw/zinc/61/41/44/1190614144.db2.gz PKRYWGIOKMZSLH-CVEARBPZSA-N 2 2 355.442 0.631 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000985164167 1190660986 /nfs/dbraw/zinc/66/09/86/1190660986.db2.gz MZRPFCPZPVFSQL-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000985164167 1190660993 /nfs/dbraw/zinc/66/09/93/1190660993.db2.gz MZRPFCPZPVFSQL-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H]1C[C@H]([N@@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCO1 ZINC001168118133 1190837088 /nfs/dbraw/zinc/83/70/88/1190837088.db2.gz ONRSWLYLCGLOHM-LSDHHAIUSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@H]1C[C@H]([N@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCO1 ZINC001168118133 1190837090 /nfs/dbraw/zinc/83/70/90/1190837090.db2.gz ONRSWLYLCGLOHM-LSDHHAIUSA-N 2 2 361.490 0.733 20 0 FCADLP Cn1cnnc1C[N@@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276756904 1224113158 /nfs/dbraw/zinc/11/31/58/1224113158.db2.gz IPTJNSORIUGQBH-GOSISDBHSA-N 2 2 357.462 0.916 20 0 FCADLP Cn1cnnc1C[N@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276756904 1224113160 /nfs/dbraw/zinc/11/31/60/1224113160.db2.gz IPTJNSORIUGQBH-GOSISDBHSA-N 2 2 357.462 0.916 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(C[C@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757037 1224114344 /nfs/dbraw/zinc/11/43/44/1224114344.db2.gz MWZCKPHYGINRII-QFBILLFUSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C[C@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757037 1224114347 /nfs/dbraw/zinc/11/43/47/1224114347.db2.gz MWZCKPHYGINRII-QFBILLFUSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1)C1CC1 ZINC000986257864 1190934236 /nfs/dbraw/zinc/93/42/36/1190934236.db2.gz BIWMPJYEUIFMQF-VKJFTORMSA-N 2 2 359.474 0.599 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276759025 1224122501 /nfs/dbraw/zinc/12/25/01/1224122501.db2.gz XYVHSEHZLFGTEM-KXBFYZLASA-N 2 2 367.490 0.583 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1)[NH+](C)C ZINC000986320511 1190954320 /nfs/dbraw/zinc/95/43/20/1190954320.db2.gz GUNVLCDLZQDIPG-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276759025 1224122504 /nfs/dbraw/zinc/12/25/04/1224122504.db2.gz XYVHSEHZLFGTEM-KXBFYZLASA-N 2 2 367.490 0.583 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1 ZINC000986423714 1190986049 /nfs/dbraw/zinc/98/60/49/1190986049.db2.gz YPWOWHNYCNZNBP-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1 ZINC000986423714 1190986053 /nfs/dbraw/zinc/98/60/53/1190986053.db2.gz YPWOWHNYCNZNBP-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000986437941 1190994071 /nfs/dbraw/zinc/99/40/71/1190994071.db2.gz OVIJKSSRUFNPJH-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000454887475 1191008138 /nfs/dbraw/zinc/00/81/38/1191008138.db2.gz IHGVBJGAARDJCQ-INIZCTEOSA-N 2 2 350.467 0.821 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000454887475 1191008143 /nfs/dbraw/zinc/00/81/43/1191008143.db2.gz IHGVBJGAARDJCQ-INIZCTEOSA-N 2 2 350.467 0.821 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1)[NH+](C)C ZINC000986570018 1191039077 /nfs/dbraw/zinc/03/90/77/1191039077.db2.gz AAYMUFYYNANQPH-VKJFTORMSA-N 2 2 361.490 0.845 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3nncn3C)CC2)O1 ZINC001029972133 1191053361 /nfs/dbraw/zinc/05/33/61/1191053361.db2.gz CVJMSMVZEPAVPA-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3nncn3C)CC2)O1 ZINC001029972133 1191053363 /nfs/dbraw/zinc/05/33/63/1191053363.db2.gz CVJMSMVZEPAVPA-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3nncn3C)CC2)O1 ZINC001029972133 1191053366 /nfs/dbraw/zinc/05/33/66/1191053366.db2.gz CVJMSMVZEPAVPA-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3nncn3C)CC2)O1 ZINC001029972133 1191053370 /nfs/dbraw/zinc/05/33/70/1191053370.db2.gz CVJMSMVZEPAVPA-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP CCOCCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276762908 1224128879 /nfs/dbraw/zinc/12/88/79/1224128879.db2.gz NLRRTIORBLWLEB-INIZCTEOSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000988104814 1191149319 /nfs/dbraw/zinc/14/93/19/1191149319.db2.gz KYRWLZFZDWSCFL-HIFRSBDPSA-N 2 2 363.462 0.551 20 0 FCADLP CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000988149365 1191153769 /nfs/dbraw/zinc/15/37/69/1191153769.db2.gz VPRNUTJUAVFDSU-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000988149365 1191153771 /nfs/dbraw/zinc/15/37/71/1191153771.db2.gz VPRNUTJUAVFDSU-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001059867224 1191176033 /nfs/dbraw/zinc/17/60/33/1191176033.db2.gz KVCOKVLQZFSQPZ-YESZJQIVSA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001059867224 1191176036 /nfs/dbraw/zinc/17/60/36/1191176036.db2.gz KVCOKVLQZFSQPZ-YESZJQIVSA-N 2 2 361.490 0.968 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCN(CC4CCCC4)C3=O)C2)CC1 ZINC001276765426 1224132730 /nfs/dbraw/zinc/13/27/30/1224132730.db2.gz VKDAROFBPHCBLD-HXUWFJFHSA-N 2 2 362.518 0.875 20 0 FCADLP C[NH+]1CCN(CCCN2C(=O)C[C@@]3(CCC[N@H+](CC(F)F)C3)C2=O)CC1 ZINC001276780475 1224152697 /nfs/dbraw/zinc/15/26/97/1224152697.db2.gz NPJZUIDYITUUMQ-GOSISDBHSA-N 2 2 372.460 0.730 20 0 FCADLP C[NH+]1CCN(CCCN2C(=O)C[C@@]3(CCC[N@@H+](CC(F)F)C3)C2=O)CC1 ZINC001276780475 1224152698 /nfs/dbraw/zinc/15/26/98/1224152698.db2.gz NPJZUIDYITUUMQ-GOSISDBHSA-N 2 2 372.460 0.730 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)C[C@@]3(CCC[N@H+](CC(F)F)C3)C2=O)CC1 ZINC001276780475 1224152699 /nfs/dbraw/zinc/15/26/99/1224152699.db2.gz NPJZUIDYITUUMQ-GOSISDBHSA-N 2 2 372.460 0.730 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)C[C@@]3(CCC[N@@H+](CC(F)F)C3)C2=O)CC1 ZINC001276780475 1224152700 /nfs/dbraw/zinc/15/27/00/1224152700.db2.gz NPJZUIDYITUUMQ-GOSISDBHSA-N 2 2 372.460 0.730 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000550659917 1193727450 /nfs/dbraw/zinc/72/74/50/1193727450.db2.gz GLFQKTQGGGLHTC-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000550659917 1193727452 /nfs/dbraw/zinc/72/74/52/1193727452.db2.gz GLFQKTQGGGLHTC-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000550659917 1193727454 /nfs/dbraw/zinc/72/74/54/1193727454.db2.gz GLFQKTQGGGLHTC-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000550659917 1193727456 /nfs/dbraw/zinc/72/74/56/1193727456.db2.gz GLFQKTQGGGLHTC-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000550665123 1193728849 /nfs/dbraw/zinc/72/88/49/1193728849.db2.gz DUCYUSQBXSCJGC-CVEARBPZSA-N 2 2 370.538 0.552 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc3c(n2)OCCO3)C1=O ZINC001276788440 1224164845 /nfs/dbraw/zinc/16/48/45/1224164845.db2.gz LUDOXIJOJDJFPM-IBGZPJMESA-N 2 2 360.458 0.981 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465496 1193765073 /nfs/dbraw/zinc/76/50/73/1193765073.db2.gz HBHLHIMNCBIMJM-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465496 1193765075 /nfs/dbraw/zinc/76/50/75/1193765075.db2.gz HBHLHIMNCBIMJM-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1C(=O)C[NH+]1CCCC1 ZINC000990116264 1193797456 /nfs/dbraw/zinc/79/74/56/1193797456.db2.gz UWIASMTZEGHGGX-FPCVCCKLSA-N 2 2 359.474 0.725 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636928 1193843411 /nfs/dbraw/zinc/84/34/11/1193843411.db2.gz GVUSGBQEYMPTSD-RWQQGDIJSA-N 2 2 364.490 0.691 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636928 1193843414 /nfs/dbraw/zinc/84/34/14/1193843414.db2.gz GVUSGBQEYMPTSD-RWQQGDIJSA-N 2 2 364.490 0.691 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075950376 1193845019 /nfs/dbraw/zinc/84/50/19/1193845019.db2.gz IUHOQEJLPFOLHE-SUMWQHHRSA-N 2 2 368.441 0.734 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001075950376 1193845022 /nfs/dbraw/zinc/84/50/22/1193845022.db2.gz IUHOQEJLPFOLHE-SUMWQHHRSA-N 2 2 368.441 0.734 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655597 1193860051 /nfs/dbraw/zinc/86/00/51/1193860051.db2.gz JIEJUBDHZLFCEQ-PSBWJHGTSA-N 2 2 364.490 0.955 20 0 FCADLP CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@H]2C1 ZINC001218575203 1224175464 /nfs/dbraw/zinc/17/54/64/1224175464.db2.gz CXKVDANWLIDQDZ-YESZJQIVSA-N 2 2 363.462 0.169 20 0 FCADLP CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)[C@H]2C1 ZINC001218575203 1224175466 /nfs/dbraw/zinc/17/54/66/1224175466.db2.gz CXKVDANWLIDQDZ-YESZJQIVSA-N 2 2 363.462 0.169 20 0 FCADLP CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@H]2C1 ZINC001218575203 1224175471 /nfs/dbraw/zinc/17/54/71/1224175471.db2.gz CXKVDANWLIDQDZ-YESZJQIVSA-N 2 2 363.462 0.169 20 0 FCADLP CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)[C@H]2C1 ZINC001218575203 1224175476 /nfs/dbraw/zinc/17/54/76/1224175476.db2.gz CXKVDANWLIDQDZ-YESZJQIVSA-N 2 2 363.462 0.169 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)c3ccc([C@@H](N)C[NH3+])cc3)ncn2)CC1 ZINC001218573266 1224175692 /nfs/dbraw/zinc/17/56/92/1224175692.db2.gz SZLBETUSFMIPDK-HNNXBMFYSA-N 2 2 355.446 0.439 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083473062 1193902621 /nfs/dbraw/zinc/90/26/21/1193902621.db2.gz GPSPFWVQPAWCNZ-PILAGYSTSA-N 2 2 374.485 0.048 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083473062 1193902629 /nfs/dbraw/zinc/90/26/29/1193902629.db2.gz GPSPFWVQPAWCNZ-PILAGYSTSA-N 2 2 374.485 0.048 20 0 FCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083473062 1193902638 /nfs/dbraw/zinc/90/26/38/1193902638.db2.gz GPSPFWVQPAWCNZ-PILAGYSTSA-N 2 2 374.485 0.048 20 0 FCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c1 ZINC001083473062 1193902645 /nfs/dbraw/zinc/90/26/45/1193902645.db2.gz GPSPFWVQPAWCNZ-PILAGYSTSA-N 2 2 374.485 0.048 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218576081 1224177173 /nfs/dbraw/zinc/17/71/73/1224177173.db2.gz UNNFZCNGAJEDFL-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218576081 1224177179 /nfs/dbraw/zinc/17/71/79/1224177179.db2.gz UNNFZCNGAJEDFL-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000938180783 1193941172 /nfs/dbraw/zinc/94/11/72/1193941172.db2.gz CSTRGFMNKPTLBA-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000938180783 1193941174 /nfs/dbraw/zinc/94/11/74/1193941174.db2.gz CSTRGFMNKPTLBA-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105667799 1193942272 /nfs/dbraw/zinc/94/22/72/1193942272.db2.gz TXSYYLNLEGXHBB-VVWQDTPRSA-N 2 2 364.490 0.955 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000552846316 1193954746 /nfs/dbraw/zinc/95/47/46/1193954746.db2.gz WJGPVKQQOVQIHW-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000552846316 1193954748 /nfs/dbraw/zinc/95/47/48/1193954748.db2.gz WJGPVKQQOVQIHW-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553343941 1193990083 /nfs/dbraw/zinc/99/00/83/1193990083.db2.gz ZPRCXNHIPFJTCM-WBVHZDCISA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553343941 1193990085 /nfs/dbraw/zinc/99/00/85/1193990085.db2.gz ZPRCXNHIPFJTCM-WBVHZDCISA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000553401771 1193995718 /nfs/dbraw/zinc/99/57/18/1193995718.db2.gz YTMHVASXVZTXDC-SLYNCCJLSA-N 2 2 373.497 0.945 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000553401771 1193995721 /nfs/dbraw/zinc/99/57/21/1193995721.db2.gz YTMHVASXVZTXDC-SLYNCCJLSA-N 2 2 373.497 0.945 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21)[NH+](CC)CC ZINC001218624360 1224184171 /nfs/dbraw/zinc/18/41/71/1224184171.db2.gz NTTJYJUUMKPIKQ-OKZBNKHCSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21)[NH+](CC)CC ZINC001218624360 1224184177 /nfs/dbraw/zinc/18/41/77/1224184177.db2.gz NTTJYJUUMKPIKQ-OKZBNKHCSA-N 2 2 363.506 0.952 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645059 1224188012 /nfs/dbraw/zinc/18/80/12/1224188012.db2.gz BSDKRBXZCGNVOB-DLBZAZTESA-N 2 2 363.506 0.810 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645059 1224188015 /nfs/dbraw/zinc/18/80/15/1224188015.db2.gz BSDKRBXZCGNVOB-DLBZAZTESA-N 2 2 363.506 0.810 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218651081 1224191075 /nfs/dbraw/zinc/19/10/75/1224191075.db2.gz SXZVBKHQFZZURC-XYVMCAHJSA-N 2 2 362.474 0.860 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218651081 1224191080 /nfs/dbraw/zinc/19/10/80/1224191080.db2.gz SXZVBKHQFZZURC-XYVMCAHJSA-N 2 2 362.474 0.860 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC[NH2+]1 ZINC000842194545 1194087461 /nfs/dbraw/zinc/08/74/61/1194087461.db2.gz NIXRNIRUPWEPHS-OAHLLOKOSA-N 2 2 373.501 0.658 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815528 1194110819 /nfs/dbraw/zinc/11/08/19/1194110819.db2.gz UKTJXPNXLXRIGF-HYVNUMGLSA-N 2 2 364.494 0.486 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815528 1194110829 /nfs/dbraw/zinc/11/08/29/1194110829.db2.gz UKTJXPNXLXRIGF-HYVNUMGLSA-N 2 2 364.494 0.486 20 0 FCADLP CCn1nncc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815528 1194110834 /nfs/dbraw/zinc/11/08/34/1194110834.db2.gz UKTJXPNXLXRIGF-HYVNUMGLSA-N 2 2 364.494 0.486 20 0 FCADLP CCn1nncc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815528 1194110843 /nfs/dbraw/zinc/11/08/43/1194110843.db2.gz UKTJXPNXLXRIGF-HYVNUMGLSA-N 2 2 364.494 0.486 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815488 1194111365 /nfs/dbraw/zinc/11/13/65/1194111365.db2.gz RKODVHKOSBHNAN-JLSDUUJJSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815488 1194111367 /nfs/dbraw/zinc/11/13/67/1194111367.db2.gz RKODVHKOSBHNAN-JLSDUUJJSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815488 1194111369 /nfs/dbraw/zinc/11/13/69/1194111369.db2.gz RKODVHKOSBHNAN-JLSDUUJJSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)cn1 ZINC001088815488 1194111372 /nfs/dbraw/zinc/11/13/72/1194111372.db2.gz RKODVHKOSBHNAN-JLSDUUJJSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001218668855 1224193234 /nfs/dbraw/zinc/19/32/34/1224193234.db2.gz JRXDVEVJDCSENK-CVEARBPZSA-N 2 2 365.478 0.699 20 0 FCADLP [NH3+][C@H](Cc1cccc(O)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668315 1224193944 /nfs/dbraw/zinc/19/39/44/1224193944.db2.gz BFGKKSBUBGONAL-QGZVFWFLSA-N 2 2 359.430 0.429 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051472 1194268794 /nfs/dbraw/zinc/26/87/94/1194268794.db2.gz WFYBYHSRTVJXCS-YSVLISHTSA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051472 1194268802 /nfs/dbraw/zinc/26/88/02/1194268802.db2.gz WFYBYHSRTVJXCS-YSVLISHTSA-N 2 2 359.474 0.559 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070460 1194292377 /nfs/dbraw/zinc/29/23/77/1194292377.db2.gz KJMCVAOZANJUJX-DPYNHQQTSA-N 2 2 371.485 0.316 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070460 1194292382 /nfs/dbraw/zinc/29/23/82/1194292382.db2.gz KJMCVAOZANJUJX-DPYNHQQTSA-N 2 2 371.485 0.316 20 0 FCADLP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070460 1194292386 /nfs/dbraw/zinc/29/23/86/1194292386.db2.gz KJMCVAOZANJUJX-DPYNHQQTSA-N 2 2 371.485 0.316 20 0 FCADLP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070460 1194292390 /nfs/dbraw/zinc/29/23/90/1194292390.db2.gz KJMCVAOZANJUJX-DPYNHQQTSA-N 2 2 371.485 0.316 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303149 1194386122 /nfs/dbraw/zinc/38/61/22/1194386122.db2.gz LFSMCTVJXDIWAE-YQQAZPJKSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303149 1194386125 /nfs/dbraw/zinc/38/61/25/1194386125.db2.gz LFSMCTVJXDIWAE-YQQAZPJKSA-N 2 2 359.474 0.988 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076309315 1194391388 /nfs/dbraw/zinc/39/13/88/1194391388.db2.gz LLXKPYYMMGEGMP-GOEBONIOSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001076309315 1194391392 /nfs/dbraw/zinc/39/13/92/1194391392.db2.gz LLXKPYYMMGEGMP-GOEBONIOSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276795365 1224220022 /nfs/dbraw/zinc/22/00/22/1224220022.db2.gz HWMRPAIOKZOGFK-VQIMIIECSA-N 2 2 363.506 0.699 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218820187 1224231284 /nfs/dbraw/zinc/23/12/84/1224231284.db2.gz ZRTCTHBWXWXEOS-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218820187 1224231302 /nfs/dbraw/zinc/23/13/02/1224231302.db2.gz ZRTCTHBWXWXEOS-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218819811 1224232225 /nfs/dbraw/zinc/23/22/25/1224232225.db2.gz PFMVHFYHWMLHGH-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218819811 1224232237 /nfs/dbraw/zinc/23/22/37/1224232237.db2.gz PFMVHFYHWMLHGH-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218819812 1224232769 /nfs/dbraw/zinc/23/27/69/1224232769.db2.gz PFMVHFYHWMLHGH-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001218819812 1224232775 /nfs/dbraw/zinc/23/27/75/1224232775.db2.gz PFMVHFYHWMLHGH-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)c1 ZINC001076834425 1195042235 /nfs/dbraw/zinc/04/22/35/1195042235.db2.gz RCKBUMFMJSMGTL-QRVBRYPASA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)c1 ZINC001076834425 1195042238 /nfs/dbraw/zinc/04/22/38/1195042238.db2.gz RCKBUMFMJSMGTL-QRVBRYPASA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c(C)c1 ZINC001076834425 1195042242 /nfs/dbraw/zinc/04/22/42/1195042242.db2.gz RCKBUMFMJSMGTL-QRVBRYPASA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c(C)c1 ZINC001076834425 1195042245 /nfs/dbraw/zinc/04/22/45/1195042245.db2.gz RCKBUMFMJSMGTL-QRVBRYPASA-N 2 2 361.486 0.604 20 0 FCADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838756 1195044215 /nfs/dbraw/zinc/04/42/15/1195044215.db2.gz LBPUQJWJVSVIOT-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838756 1195044219 /nfs/dbraw/zinc/04/42/19/1195044219.db2.gz LBPUQJWJVSVIOT-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838756 1195044224 /nfs/dbraw/zinc/04/42/24/1195044224.db2.gz LBPUQJWJVSVIOT-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838756 1195044228 /nfs/dbraw/zinc/04/42/28/1195044228.db2.gz LBPUQJWJVSVIOT-QRVBRYPASA-N 2 2 361.486 0.802 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001218924703 1224260167 /nfs/dbraw/zinc/26/01/67/1224260167.db2.gz OPURIKDIPPJADA-JTQLQIEISA-N 2 2 357.374 0.368 20 0 FCADLP [NH3+][C@@H](C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)C1CC[NH2+]CC1 ZINC001218925593 1224262110 /nfs/dbraw/zinc/26/21/10/1224262110.db2.gz BTDCZNHBBFQRHH-CQSZACIVSA-N 2 2 369.385 0.239 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]3O)ccn12 ZINC001076996791 1195134736 /nfs/dbraw/zinc/13/47/36/1195134736.db2.gz NKHHVBYUSYDSDU-USXIJHARSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@H]3O)ccn12 ZINC001076996791 1195134742 /nfs/dbraw/zinc/13/47/42/1195134742.db2.gz NKHHVBYUSYDSDU-USXIJHARSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]3O)ccn12 ZINC001076996795 1195135071 /nfs/dbraw/zinc/13/50/71/1195135071.db2.gz NOZDKEKRTUQULQ-IAGOWNOFSA-N 2 2 368.441 0.394 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]3O)ccn12 ZINC001076996795 1195135077 /nfs/dbraw/zinc/13/50/77/1195135077.db2.gz NOZDKEKRTUQULQ-IAGOWNOFSA-N 2 2 368.441 0.394 20 0 FCADLP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218933432 1224263286 /nfs/dbraw/zinc/26/32/86/1224263286.db2.gz WODLBIAZCABGND-JTQLQIEISA-N 2 2 360.349 0.731 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)c[nH+]1 ZINC001077209460 1195322032 /nfs/dbraw/zinc/32/20/32/1195322032.db2.gz JCUOFWDTGSCPHR-ARFHVFGLSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)c[nH+]1 ZINC001077209460 1195322038 /nfs/dbraw/zinc/32/20/38/1195322038.db2.gz JCUOFWDTGSCPHR-ARFHVFGLSA-N 2 2 364.490 0.903 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077259063 1195363566 /nfs/dbraw/zinc/36/35/66/1195363566.db2.gz HFSNETHMBJYDBP-GVDBMIGSSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077259063 1195363572 /nfs/dbraw/zinc/36/35/72/1195363572.db2.gz HFSNETHMBJYDBP-GVDBMIGSSA-N 2 2 362.474 0.424 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276312 1195377772 /nfs/dbraw/zinc/37/77/72/1195377772.db2.gz XFRABGNTLBERCK-IAGOWNOFSA-N 2 2 354.414 0.351 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276312 1195377777 /nfs/dbraw/zinc/37/77/77/1195377777.db2.gz XFRABGNTLBERCK-IAGOWNOFSA-N 2 2 354.414 0.351 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077392395 1195489529 /nfs/dbraw/zinc/48/95/29/1195489529.db2.gz ACVCGZVWUBFWKJ-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077392395 1195489533 /nfs/dbraw/zinc/48/95/33/1195489533.db2.gz ACVCGZVWUBFWKJ-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001077392868 1195490529 /nfs/dbraw/zinc/49/05/29/1195490529.db2.gz VPTNKKYPTZIPJR-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001077392868 1195490534 /nfs/dbraw/zinc/49/05/34/1195490534.db2.gz VPTNKKYPTZIPJR-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)c1ccccc1 ZINC001077395053 1195492414 /nfs/dbraw/zinc/49/24/14/1195492414.db2.gz QSJNUBFPLLNZFV-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)c1ccccc1 ZINC001077395053 1195492418 /nfs/dbraw/zinc/49/24/18/1195492418.db2.gz QSJNUBFPLLNZFV-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001077423199 1195531627 /nfs/dbraw/zinc/53/16/27/1195531627.db2.gz MJGRYWDSNZXJFO-NWANDNLSSA-N 2 2 358.446 0.740 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583213 1195537613 /nfs/dbraw/zinc/53/76/13/1195537613.db2.gz XMLLMXGVOIZRCW-KURKYZTESA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583213 1195537619 /nfs/dbraw/zinc/53/76/19/1195537619.db2.gz XMLLMXGVOIZRCW-KURKYZTESA-N 2 2 354.454 0.850 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591335 1195588887 /nfs/dbraw/zinc/58/88/87/1195588887.db2.gz YAZGOYHMAKJRCA-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591335 1195588890 /nfs/dbraw/zinc/58/88/90/1195588890.db2.gz YAZGOYHMAKJRCA-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593439 1195600362 /nfs/dbraw/zinc/60/03/62/1195600362.db2.gz NLWXHBFVUMTOOE-SQNIBIBYSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593439 1195600364 /nfs/dbraw/zinc/60/03/64/1195600364.db2.gz NLWXHBFVUMTOOE-SQNIBIBYSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593439 1195600371 /nfs/dbraw/zinc/60/03/71/1195600371.db2.gz NLWXHBFVUMTOOE-SQNIBIBYSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593439 1195600375 /nfs/dbraw/zinc/60/03/75/1195600375.db2.gz NLWXHBFVUMTOOE-SQNIBIBYSA-N 2 2 363.506 0.510 20 0 FCADLP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906665285 1195643911 /nfs/dbraw/zinc/64/39/11/1195643911.db2.gz VGQTXXFBTZOFGZ-KRWDZBQOSA-N 3 2 373.501 0.711 20 0 FCADLP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906665285 1195643922 /nfs/dbraw/zinc/64/39/22/1195643922.db2.gz VGQTXXFBTZOFGZ-KRWDZBQOSA-N 3 2 373.501 0.711 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C)C1 ZINC000910289179 1195810912 /nfs/dbraw/zinc/81/09/12/1195810912.db2.gz QCYUNKGNOXMICG-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C)C1 ZINC000910289179 1195810915 /nfs/dbraw/zinc/81/09/15/1195810915.db2.gz QCYUNKGNOXMICG-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042515 1224310755 /nfs/dbraw/zinc/31/07/55/1224310755.db2.gz HZCLMRJXDSHEMY-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042515 1224310766 /nfs/dbraw/zinc/31/07/66/1224310766.db2.gz HZCLMRJXDSHEMY-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042515 1224310772 /nfs/dbraw/zinc/31/07/72/1224310772.db2.gz HZCLMRJXDSHEMY-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(C)C)C[C@@H]32)C1 ZINC001219042515 1224310777 /nfs/dbraw/zinc/31/07/77/1224310777.db2.gz HZCLMRJXDSHEMY-KSZLIROESA-N 2 2 369.506 0.291 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644599 1195932512 /nfs/dbraw/zinc/93/25/12/1195932512.db2.gz NPCSYPJVYVCEEC-ILXRZTDVSA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644599 1195932515 /nfs/dbraw/zinc/93/25/15/1195932515.db2.gz NPCSYPJVYVCEEC-ILXRZTDVSA-N 2 2 366.368 0.533 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363823 1196323898 /nfs/dbraw/zinc/32/38/98/1196323898.db2.gz ZDPRCPPUHNPJJZ-GFOCRRMGSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363823 1196323904 /nfs/dbraw/zinc/32/39/04/1196323904.db2.gz ZDPRCPPUHNPJJZ-GFOCRRMGSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cnnn2C)CC3)O1 ZINC000991363823 1196323909 /nfs/dbraw/zinc/32/39/09/1196323909.db2.gz ZDPRCPPUHNPJJZ-GFOCRRMGSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cnnn2C)CC3)O1 ZINC000991363823 1196323913 /nfs/dbraw/zinc/32/39/13/1196323913.db2.gz ZDPRCPPUHNPJJZ-GFOCRRMGSA-N 2 2 362.478 0.147 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000912897001 1196382674 /nfs/dbraw/zinc/38/26/74/1196382674.db2.gz JBJIUHSVLBFJRP-MSOLQXFVSA-N 2 2 359.470 0.897 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000912897001 1196382677 /nfs/dbraw/zinc/38/26/77/1196382677.db2.gz JBJIUHSVLBFJRP-MSOLQXFVSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000912897001 1196382679 /nfs/dbraw/zinc/38/26/79/1196382679.db2.gz JBJIUHSVLBFJRP-MSOLQXFVSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000912897001 1196382680 /nfs/dbraw/zinc/38/26/80/1196382680.db2.gz JBJIUHSVLBFJRP-MSOLQXFVSA-N 2 2 359.470 0.897 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668362 1196391834 /nfs/dbraw/zinc/39/18/34/1196391834.db2.gz NWFIKIAXCSQBOT-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668362 1196391840 /nfs/dbraw/zinc/39/18/40/1196391840.db2.gz NWFIKIAXCSQBOT-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000913364707 1196425460 /nfs/dbraw/zinc/42/54/60/1196425460.db2.gz FMEIJQKPKHXTIQ-UHFFFAOYSA-N 2 2 356.474 0.840 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@H]([C@@H]4CCCOC4)C3=O)CC2)CC1 ZINC000349394900 1196491452 /nfs/dbraw/zinc/49/14/52/1196491452.db2.gz WQFIKZCZKPACTB-RHSMWYFYSA-N 2 2 364.490 0.892 20 0 FCADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc[nH+]1 ZINC000594702752 1196733957 /nfs/dbraw/zinc/73/39/57/1196733957.db2.gz WQFAJYMUCIFDLD-XSWJXKHESA-N 2 2 374.489 0.840 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053175 1196876417 /nfs/dbraw/zinc/87/64/17/1196876417.db2.gz MMOQTUMXUAPQDC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053175 1196876419 /nfs/dbraw/zinc/87/64/19/1196876419.db2.gz MMOQTUMXUAPQDC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053175 1196876420 /nfs/dbraw/zinc/87/64/20/1196876420.db2.gz MMOQTUMXUAPQDC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053175 1196876422 /nfs/dbraw/zinc/87/64/22/1196876422.db2.gz MMOQTUMXUAPQDC-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP O=C(NC1C[NH+](CC2CCOCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001030718161 1196898335 /nfs/dbraw/zinc/89/83/35/1196898335.db2.gz OBYQGAXNRRFQGV-MSOLQXFVSA-N 2 2 367.490 0.093 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CC(NC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)[nH+]c12 ZINC000992086398 1196944498 /nfs/dbraw/zinc/94/44/98/1196944498.db2.gz CCJVASPSWFALLY-RHSMWYFYSA-N 2 2 369.469 0.852 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CC(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)[nH+]c12 ZINC000992086398 1196944503 /nfs/dbraw/zinc/94/45/03/1196944503.db2.gz CCJVASPSWFALLY-RHSMWYFYSA-N 2 2 369.469 0.852 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001089180037 1197010800 /nfs/dbraw/zinc/01/08/00/1197010800.db2.gz JWHXHYPGWLFOFD-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001089180037 1197010805 /nfs/dbraw/zinc/01/08/05/1197010805.db2.gz JWHXHYPGWLFOFD-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001089180037 1197010811 /nfs/dbraw/zinc/01/08/11/1197010811.db2.gz JWHXHYPGWLFOFD-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001089180037 1197010818 /nfs/dbraw/zinc/01/08/18/1197010818.db2.gz JWHXHYPGWLFOFD-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992308398 1197058023 /nfs/dbraw/zinc/05/80/23/1197058023.db2.gz BVIBKWLSWCFIFZ-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992308398 1197058029 /nfs/dbraw/zinc/05/80/29/1197058029.db2.gz BVIBKWLSWCFIFZ-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992308398 1197058035 /nfs/dbraw/zinc/05/80/35/1197058035.db2.gz BVIBKWLSWCFIFZ-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992308398 1197058042 /nfs/dbraw/zinc/05/80/42/1197058042.db2.gz BVIBKWLSWCFIFZ-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CC1=C(C)C(=O)N(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1=O ZINC000913665377 1197101849 /nfs/dbraw/zinc/10/18/49/1197101849.db2.gz IGQDIGMZLCEKKS-UHFFFAOYSA-N 2 2 371.441 0.867 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000913736556 1197119542 /nfs/dbraw/zinc/11/95/42/1197119542.db2.gz RRUUTERLZDBTDS-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000913736556 1197119546 /nfs/dbraw/zinc/11/95/46/1197119546.db2.gz RRUUTERLZDBTDS-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000913736556 1197119552 /nfs/dbraw/zinc/11/95/52/1197119552.db2.gz RRUUTERLZDBTDS-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000913736556 1197119558 /nfs/dbraw/zinc/11/95/58/1197119558.db2.gz RRUUTERLZDBTDS-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236488 1224396903 /nfs/dbraw/zinc/39/69/03/1224396903.db2.gz VGASJMFBWHAIIG-CRAIPNDOSA-N 3 2 360.506 0.303 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153556 1197315257 /nfs/dbraw/zinc/31/52/57/1197315257.db2.gz HZIGFYGDQYHICW-INMHGKMJSA-N 2 2 364.490 0.453 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153555 1197315392 /nfs/dbraw/zinc/31/53/92/1197315392.db2.gz HZIGFYGDQYHICW-BFYDXBDKSA-N 2 2 364.490 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000992946815 1197626793 /nfs/dbraw/zinc/62/67/93/1197626793.db2.gz SRBWAFBEMSTMRP-APWZRJJASA-N 2 2 370.457 0.785 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085232174 1197720834 /nfs/dbraw/zinc/72/08/34/1197720834.db2.gz OUVZCWXTJABAHB-KBUPBQIOSA-N 2 2 373.457 0.679 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085232174 1197720837 /nfs/dbraw/zinc/72/08/37/1197720837.db2.gz OUVZCWXTJABAHB-KBUPBQIOSA-N 2 2 373.457 0.679 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)nc1=O ZINC001085244606 1197738371 /nfs/dbraw/zinc/73/83/71/1197738371.db2.gz MSLHNTVTVJRZCU-ZIAGYGMSSA-N 2 2 369.429 0.816 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734276226 1197743050 /nfs/dbraw/zinc/74/30/50/1197743050.db2.gz WWAKLSDKFOFKQY-FUHWJXTLSA-N 2 2 367.538 0.565 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001085260551 1197760930 /nfs/dbraw/zinc/76/09/30/1197760930.db2.gz SOAXTFFMRVEIIU-HUUCEWRRSA-N 2 2 354.418 0.689 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001085332733 1197826238 /nfs/dbraw/zinc/82/62/38/1197826238.db2.gz KTJIKUSDLIAAOQ-RBSFLKMASA-N 2 2 364.494 0.994 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001085332733 1197826245 /nfs/dbraw/zinc/82/62/45/1197826245.db2.gz KTJIKUSDLIAAOQ-RBSFLKMASA-N 2 2 364.494 0.994 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001085337586 1197831404 /nfs/dbraw/zinc/83/14/04/1197831404.db2.gz ISGIVOXEOPCRHO-KLHDSHLOSA-N 2 2 357.462 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C ZINC001085337615 1197831574 /nfs/dbraw/zinc/83/15/74/1197831574.db2.gz KHWVDZMXORFJGF-KLHDSHLOSA-N 2 2 357.462 0.869 20 0 FCADLP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001085345991 1197835988 /nfs/dbraw/zinc/83/59/88/1197835988.db2.gz ANPKBBMJDOJAND-NUEKZKHPSA-N 2 2 363.462 0.217 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)n1C ZINC001085394466 1197863485 /nfs/dbraw/zinc/86/34/85/1197863485.db2.gz MLNNZQDOCUEFAL-HUUCEWRRSA-N 2 2 359.478 0.871 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106339962 1197869712 /nfs/dbraw/zinc/86/97/12/1197869712.db2.gz HHQSVSKXZIZFSL-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106342739 1197870732 /nfs/dbraw/zinc/87/07/32/1197870732.db2.gz BWGASADYEXWBLL-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106343061 1197871862 /nfs/dbraw/zinc/87/18/62/1197871862.db2.gz OGDFFQMKBLTOKM-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)C2 ZINC001106343249 1197871958 /nfs/dbraw/zinc/87/19/58/1197871958.db2.gz WCMRLBGKEIPKJP-BPLDGKMQSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)CC2 ZINC001106343249 1197871961 /nfs/dbraw/zinc/87/19/61/1197871961.db2.gz WCMRLBGKEIPKJP-BPLDGKMQSA-N 2 2 361.490 0.595 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106343939 1197872003 /nfs/dbraw/zinc/87/20/03/1197872003.db2.gz NRZRFUXBCYWIAY-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)CCO1 ZINC001085438719 1197905410 /nfs/dbraw/zinc/90/54/10/1197905410.db2.gz DIPQYBXQFCEPRK-ARFHVFGLSA-N 2 2 363.462 0.147 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993175155 1197933369 /nfs/dbraw/zinc/93/33/69/1197933369.db2.gz LAQXYQNNEZRLJP-TXPKVOOTSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993175155 1197933378 /nfs/dbraw/zinc/93/33/78/1197933378.db2.gz LAQXYQNNEZRLJP-TXPKVOOTSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106461738 1197943557 /nfs/dbraw/zinc/94/35/57/1197943557.db2.gz LBKNFNKKVZYKTC-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106464295 1197945278 /nfs/dbraw/zinc/94/52/78/1197945278.db2.gz QTKBOFKSTSIYBE-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085670810 1197978122 /nfs/dbraw/zinc/97/81/22/1197978122.db2.gz FYKDFWQNHWIDKG-FVQBIDKESA-N 2 2 365.478 0.562 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085670810 1197978127 /nfs/dbraw/zinc/97/81/27/1197978127.db2.gz FYKDFWQNHWIDKG-FVQBIDKESA-N 2 2 365.478 0.562 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085670810 1197978139 /nfs/dbraw/zinc/97/81/39/1197978139.db2.gz FYKDFWQNHWIDKG-FVQBIDKESA-N 2 2 365.478 0.562 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411717 1224457257 /nfs/dbraw/zinc/45/72/57/1224457257.db2.gz VBZUCLQZGFHANJ-SQNIBIBYSA-N 2 2 369.506 0.075 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411717 1224457263 /nfs/dbraw/zinc/45/72/63/1224457263.db2.gz VBZUCLQZGFHANJ-SQNIBIBYSA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411717 1224457273 /nfs/dbraw/zinc/45/72/73/1224457273.db2.gz VBZUCLQZGFHANJ-SQNIBIBYSA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@@H]2O)C1 ZINC001219411717 1224457281 /nfs/dbraw/zinc/45/72/81/1224457281.db2.gz VBZUCLQZGFHANJ-SQNIBIBYSA-N 2 2 369.506 0.075 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411630 1224457898 /nfs/dbraw/zinc/45/78/98/1224457898.db2.gz QWDYUVXPKSCWKJ-MEUCALQCSA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411630 1224457901 /nfs/dbraw/zinc/45/79/01/1224457901.db2.gz QWDYUVXPKSCWKJ-MEUCALQCSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411630 1224457905 /nfs/dbraw/zinc/45/79/05/1224457905.db2.gz QWDYUVXPKSCWKJ-MEUCALQCSA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001219411630 1224457909 /nfs/dbraw/zinc/45/79/09/1224457909.db2.gz QWDYUVXPKSCWKJ-MEUCALQCSA-N 2 2 359.470 0.582 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086121011 1198183206 /nfs/dbraw/zinc/18/32/06/1198183206.db2.gz XWTDUDTZDUHGRW-DMRZNYOFSA-N 2 2 364.494 0.310 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086121011 1198183210 /nfs/dbraw/zinc/18/32/10/1198183210.db2.gz XWTDUDTZDUHGRW-DMRZNYOFSA-N 2 2 364.494 0.310 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086202214 1198251655 /nfs/dbraw/zinc/25/16/55/1198251655.db2.gz NDRMYSXFKIKUJH-LXTVHRRPSA-N 2 2 357.462 0.820 20 0 FCADLP CCn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086202373 1198251867 /nfs/dbraw/zinc/25/18/67/1198251867.db2.gz WBZODECUYBRTBI-OCVGTWLNSA-N 2 2 357.462 0.820 20 0 FCADLP [NH3+]CCNC(=O)/C=C/C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219453404 1224476269 /nfs/dbraw/zinc/47/62/69/1224476269.db2.gz LBDDGLWAZRYPJR-VBROQKIQSA-N 2 2 368.384 0.632 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086398896 1198352077 /nfs/dbraw/zinc/35/20/77/1198352077.db2.gz FZHOYJHKNSPTTA-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086398896 1198352078 /nfs/dbraw/zinc/35/20/78/1198352078.db2.gz FZHOYJHKNSPTTA-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP CCn1nnc(-c2ccccc2NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)n1 ZINC001219483327 1224483011 /nfs/dbraw/zinc/48/30/11/1224483011.db2.gz UOYBTUPIRLGZJL-CQSZACIVSA-N 2 2 358.450 0.049 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794296 1198945537 /nfs/dbraw/zinc/94/55/37/1198945537.db2.gz YORLYWIAYYPZJO-MSOLQXFVSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794296 1198945543 /nfs/dbraw/zinc/94/55/43/1198945543.db2.gz YORLYWIAYYPZJO-MSOLQXFVSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000745794296 1198945546 /nfs/dbraw/zinc/94/55/46/1198945546.db2.gz YORLYWIAYYPZJO-MSOLQXFVSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000745794296 1198945552 /nfs/dbraw/zinc/94/55/52/1198945552.db2.gz YORLYWIAYYPZJO-MSOLQXFVSA-N 3 2 369.554 0.765 20 0 FCADLP CCOC(=O)N1CCC[C@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001169694780 1199086172 /nfs/dbraw/zinc/08/61/72/1199086172.db2.gz QWYGIWWUDHYRSK-SFHVURJKSA-N 2 2 368.522 0.947 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293427 1200152046 /nfs/dbraw/zinc/15/20/46/1200152046.db2.gz BWLCTGMTFVFJTP-OWSLCNJRSA-N 2 2 362.518 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293427 1200152049 /nfs/dbraw/zinc/15/20/49/1200152049.db2.gz BWLCTGMTFVFJTP-OWSLCNJRSA-N 2 2 362.518 0.966 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400472 1200248300 /nfs/dbraw/zinc/24/83/00/1200248300.db2.gz HEOUBBYERXRXKZ-CRWXNKLISA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400472 1200248311 /nfs/dbraw/zinc/24/83/11/1200248311.db2.gz HEOUBBYERXRXKZ-CRWXNKLISA-N 2 2 365.478 0.036 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401729 1200250528 /nfs/dbraw/zinc/25/05/28/1200250528.db2.gz DBALCZDQXUPRFD-MUQADHOPSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401729 1200250536 /nfs/dbraw/zinc/25/05/36/1200250536.db2.gz DBALCZDQXUPRFD-MUQADHOPSA-N 2 2 366.506 0.201 20 0 FCADLP C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768925401 1200251102 /nfs/dbraw/zinc/25/11/02/1200251102.db2.gz CRWFWUPLYNCYNT-UHFFFAOYSA-N 2 2 354.458 0.959 20 0 FCADLP C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768925401 1200251104 /nfs/dbraw/zinc/25/11/04/1200251104.db2.gz CRWFWUPLYNCYNT-UHFFFAOYSA-N 2 2 354.458 0.959 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512443 1200352528 /nfs/dbraw/zinc/35/25/28/1200352528.db2.gz HZJLXOFQCMRGNT-PVAVHDDUSA-N 2 2 368.441 0.739 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512443 1200352533 /nfs/dbraw/zinc/35/25/33/1200352533.db2.gz HZJLXOFQCMRGNT-PVAVHDDUSA-N 2 2 368.441 0.739 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109655014 1200446795 /nfs/dbraw/zinc/44/67/95/1200446795.db2.gz DXDPWHAIZFVFGC-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109655014 1200446796 /nfs/dbraw/zinc/44/67/96/1200446796.db2.gz DXDPWHAIZFVFGC-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671428 1200458795 /nfs/dbraw/zinc/45/87/95/1200458795.db2.gz IVFDXMBXNRRIBI-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671428 1200458801 /nfs/dbraw/zinc/45/88/01/1200458801.db2.gz IVFDXMBXNRRIBI-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719002 1200485721 /nfs/dbraw/zinc/48/57/21/1200485721.db2.gz QQFXGFPPQSMZGN-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719002 1200485724 /nfs/dbraw/zinc/48/57/24/1200485724.db2.gz QQFXGFPPQSMZGN-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109719002 1200485725 /nfs/dbraw/zinc/48/57/25/1200485725.db2.gz QQFXGFPPQSMZGN-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109719002 1200485735 /nfs/dbraw/zinc/48/57/35/1200485735.db2.gz QQFXGFPPQSMZGN-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843110 1200556513 /nfs/dbraw/zinc/55/65/13/1200556513.db2.gz CHJZKWNOUKNXQS-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843110 1200556518 /nfs/dbraw/zinc/55/65/18/1200556518.db2.gz CHJZKWNOUKNXQS-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001109844861 1200557691 /nfs/dbraw/zinc/55/76/91/1200557691.db2.gz KYCSQTSUBQDCGA-UGUYLWEFSA-N 2 2 373.457 0.498 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001109844861 1200557695 /nfs/dbraw/zinc/55/76/95/1200557695.db2.gz KYCSQTSUBQDCGA-UGUYLWEFSA-N 2 2 373.457 0.498 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)C(C)C ZINC001219802185 1224621859 /nfs/dbraw/zinc/62/18/59/1224621859.db2.gz HFBPABVVRAZFRS-CVEARBPZSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)C(C)C ZINC001219802185 1224621863 /nfs/dbraw/zinc/62/18/63/1224621863.db2.gz HFBPABVVRAZFRS-CVEARBPZSA-N 2 2 368.522 0.277 20 0 FCADLP O=C(C[NH2+][C@H](CCO)C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000771798100 1200638428 /nfs/dbraw/zinc/63/84/28/1200638428.db2.gz DXOCZXNLMXSMDH-LJQANCHMSA-N 2 2 361.486 0.886 20 0 FCADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219806119 1224626122 /nfs/dbraw/zinc/62/61/22/1224626122.db2.gz KPCZUDIUKLYVQE-MRXNPFEDSA-N 2 2 353.426 0.067 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110016662 1200705222 /nfs/dbraw/zinc/70/52/22/1200705222.db2.gz YYRHWPNDKAPFAT-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110016662 1200705226 /nfs/dbraw/zinc/70/52/26/1200705226.db2.gz YYRHWPNDKAPFAT-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110016662 1200705234 /nfs/dbraw/zinc/70/52/34/1200705234.db2.gz YYRHWPNDKAPFAT-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110016662 1200705243 /nfs/dbraw/zinc/70/52/43/1200705243.db2.gz YYRHWPNDKAPFAT-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219812128 1224630292 /nfs/dbraw/zinc/63/02/92/1224630292.db2.gz NQIKDPPDWDXNAJ-SJORKVTESA-N 2 2 362.474 0.626 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219812128 1224630296 /nfs/dbraw/zinc/63/02/96/1224630296.db2.gz NQIKDPPDWDXNAJ-SJORKVTESA-N 2 2 362.474 0.626 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219812128 1224630303 /nfs/dbraw/zinc/63/03/03/1224630303.db2.gz NQIKDPPDWDXNAJ-SJORKVTESA-N 2 2 362.474 0.626 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)n1 ZINC001219812128 1224630307 /nfs/dbraw/zinc/63/03/07/1224630307.db2.gz NQIKDPPDWDXNAJ-SJORKVTESA-N 2 2 362.474 0.626 20 0 FCADLP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368677 1201075844 /nfs/dbraw/zinc/07/58/44/1201075844.db2.gz OGWZXLAJIFPTGM-VQIMIIECSA-N 2 2 364.490 0.515 20 0 FCADLP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368677 1201075854 /nfs/dbraw/zinc/07/58/54/1201075854.db2.gz OGWZXLAJIFPTGM-VQIMIIECSA-N 2 2 364.490 0.515 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)nc(C2CC2)[nH+]1 ZINC001090460205 1201177643 /nfs/dbraw/zinc/17/76/43/1201177643.db2.gz SSPSXQIXYRDYSW-BFYDXBDKSA-N 2 2 361.490 0.914 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129407164 1201296322 /nfs/dbraw/zinc/29/63/22/1201296322.db2.gz GRQJTXHSXPOQBY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129407164 1201296332 /nfs/dbraw/zinc/29/63/32/1201296332.db2.gz GRQJTXHSXPOQBY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129407164 1201296340 /nfs/dbraw/zinc/29/63/40/1201296340.db2.gz GRQJTXHSXPOQBY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129407164 1201296346 /nfs/dbraw/zinc/29/63/46/1201296346.db2.gz GRQJTXHSXPOQBY-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O)[NH+](C)C ZINC001219875898 1224666444 /nfs/dbraw/zinc/66/64/44/1224666444.db2.gz JMKZVOLCKGKJDS-KFWWJZLASA-N 2 2 363.462 0.061 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O)[NH+](C)C ZINC001219875898 1224666447 /nfs/dbraw/zinc/66/64/47/1224666447.db2.gz JMKZVOLCKGKJDS-KFWWJZLASA-N 2 2 363.462 0.061 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001086623617 1201349759 /nfs/dbraw/zinc/34/97/59/1201349759.db2.gz NMEFPOYJPKYKDA-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001086623617 1201349766 /nfs/dbraw/zinc/34/97/66/1201349766.db2.gz NMEFPOYJPKYKDA-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001086623617 1201349773 /nfs/dbraw/zinc/34/97/73/1201349773.db2.gz NMEFPOYJPKYKDA-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086623617 1201349780 /nfs/dbraw/zinc/34/97/80/1201349780.db2.gz NMEFPOYJPKYKDA-YTQUADARSA-N 2 2 368.485 0.851 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1)OC ZINC001129887895 1201413516 /nfs/dbraw/zinc/41/35/16/1201413516.db2.gz WEFXHBKIMDAMIW-XHSDSOJGSA-N 2 2 361.450 0.401 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1)OC ZINC001129887895 1201413520 /nfs/dbraw/zinc/41/35/20/1201413520.db2.gz WEFXHBKIMDAMIW-XHSDSOJGSA-N 2 2 361.450 0.401 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1)OC ZINC001129887894 1201413667 /nfs/dbraw/zinc/41/36/67/1201413667.db2.gz WEFXHBKIMDAMIW-OAGGEKHMSA-N 2 2 361.450 0.401 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1)OC ZINC001129887894 1201413676 /nfs/dbraw/zinc/41/36/76/1201413676.db2.gz WEFXHBKIMDAMIW-OAGGEKHMSA-N 2 2 361.450 0.401 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COc1ccc(F)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892818 1201417295 /nfs/dbraw/zinc/41/72/95/1201417295.db2.gz BQHLSEXPYDNWOT-NUEKZKHPSA-N 2 2 362.405 0.798 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COc1ccc(F)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892818 1201417303 /nfs/dbraw/zinc/41/73/03/1201417303.db2.gz BQHLSEXPYDNWOT-NUEKZKHPSA-N 2 2 362.405 0.798 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917552 1201427832 /nfs/dbraw/zinc/42/78/32/1201427832.db2.gz WKQLLMSIIRGQGI-BMFZPTHFSA-N 2 2 361.425 0.438 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626454 1201448736 /nfs/dbraw/zinc/44/87/36/1201448736.db2.gz OKRGWBQFCWGVJS-GVDBMIGSSA-N 2 2 355.442 0.731 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626454 1201448738 /nfs/dbraw/zinc/44/87/38/1201448738.db2.gz OKRGWBQFCWGVJS-GVDBMIGSSA-N 2 2 355.442 0.731 20 0 FCADLP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130086308 1201494713 /nfs/dbraw/zinc/49/47/13/1201494713.db2.gz VOFXBBWXPUDZFP-FDRQBBGKSA-N 2 2 357.462 0.952 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130221094 1201550556 /nfs/dbraw/zinc/55/05/56/1201550556.db2.gz UFWDYZCRMVRJEM-STQMWFEESA-N 2 2 370.473 0.583 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130221094 1201550559 /nfs/dbraw/zinc/55/05/59/1201550559.db2.gz UFWDYZCRMVRJEM-STQMWFEESA-N 2 2 370.473 0.583 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130251448 1201570435 /nfs/dbraw/zinc/57/04/35/1201570435.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 2 2 364.494 0.635 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130251448 1201570439 /nfs/dbraw/zinc/57/04/39/1201570439.db2.gz VKVLFHVUFRAODK-GJZGRUSLSA-N 2 2 364.494 0.635 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251327 1201570497 /nfs/dbraw/zinc/57/04/97/1201570497.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 2 2 366.510 0.879 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251327 1201570503 /nfs/dbraw/zinc/57/05/03/1201570503.db2.gz NPUXWNNMCLVIQP-GJZGRUSLSA-N 2 2 366.510 0.879 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C2(c3ccc(OC)cc3)CC[NH2+]CC2)C[NH2+]1 ZINC001219967586 1224705511 /nfs/dbraw/zinc/70/55/11/1224705511.db2.gz BAOWLJDKFPNUHO-ZBFHGGJFSA-N 2 2 361.442 0.336 20 0 FCADLP CCOC(=O)Cc1ccc(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001220011091 1224726638 /nfs/dbraw/zinc/72/66/38/1224726638.db2.gz QTPJWXZWCAUXNZ-KRWDZBQOSA-N 2 2 362.474 0.159 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685328 1202753488 /nfs/dbraw/zinc/75/34/88/1202753488.db2.gz OPAOQIONFHIKIZ-DOTOQJQBSA-N 2 2 360.462 0.697 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2)nc(C)[nH+]1 ZINC001090492764 1202763997 /nfs/dbraw/zinc/76/39/97/1202763997.db2.gz BUKSINYSUNBAAH-BZUAXINKSA-N 2 2 367.469 0.693 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2)nc(C)[nH+]1 ZINC001090492762 1202764338 /nfs/dbraw/zinc/76/43/38/1202764338.db2.gz BUKSINYSUNBAAH-ARFHVFGLSA-N 2 2 367.469 0.693 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078674 1224748438 /nfs/dbraw/zinc/74/84/38/1224748438.db2.gz YDOWUCTYGNWVLT-PMPSAXMXSA-N 2 2 366.506 0.033 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078674 1224748445 /nfs/dbraw/zinc/74/84/45/1224748445.db2.gz YDOWUCTYGNWVLT-PMPSAXMXSA-N 2 2 366.506 0.033 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130973165 1202833006 /nfs/dbraw/zinc/83/30/06/1202833006.db2.gz SFIMEVRCLQRRHG-RRFJBIMHSA-N 2 2 360.462 0.695 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)o1 ZINC001131062078 1202854138 /nfs/dbraw/zinc/85/41/38/1202854138.db2.gz URMSMVWSNOWSJV-HUUCEWRRSA-N 2 2 360.462 0.752 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108547 1202864583 /nfs/dbraw/zinc/86/45/83/1202864583.db2.gz VMXPEEQASVNSLB-FVQBIDKESA-N 2 2 360.462 0.315 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131533540 1202910655 /nfs/dbraw/zinc/91/06/55/1202910655.db2.gz KQPPKBBGPASYLI-APWZRJJASA-N 2 2 364.490 0.721 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812333978 1202979524 /nfs/dbraw/zinc/97/95/24/1202979524.db2.gz KZMAEDQYZZOROO-ZMSDIMECSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812333978 1202979528 /nfs/dbraw/zinc/97/95/28/1202979528.db2.gz KZMAEDQYZZOROO-ZMSDIMECSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812333978 1202979532 /nfs/dbraw/zinc/97/95/32/1202979532.db2.gz KZMAEDQYZZOROO-ZMSDIMECSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812333978 1202979534 /nfs/dbraw/zinc/97/95/34/1202979534.db2.gz KZMAEDQYZZOROO-ZMSDIMECSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)on1 ZINC001134045463 1203010628 /nfs/dbraw/zinc/01/06/28/1203010628.db2.gz HJAMDWFJVBXDDQ-JHJVBQTASA-N 2 2 360.418 0.553 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001134042975 1203010679 /nfs/dbraw/zinc/01/06/79/1203010679.db2.gz PCHSMYKPCNDALG-GVDBMIGSSA-N 2 2 360.433 0.972 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001134049779 1203011711 /nfs/dbraw/zinc/01/17/11/1203011711.db2.gz OGASNRTUMJSVMO-HUUCEWRRSA-N 2 2 359.474 0.534 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737586 1203064034 /nfs/dbraw/zinc/06/40/34/1203064034.db2.gz QKJHHOMMUNGCEV-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220105695 1224766387 /nfs/dbraw/zinc/76/63/87/1224766387.db2.gz IANMJDUEHKIEDX-BBWFWOEESA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220105695 1224766394 /nfs/dbraw/zinc/76/63/94/1224766394.db2.gz IANMJDUEHKIEDX-BBWFWOEESA-N 2 2 366.462 0.020 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@H](c2ccccc2)C1 ZINC000817918507 1203126350 /nfs/dbraw/zinc/12/63/50/1203126350.db2.gz KLHBQIHGWDVLOU-FXAWDEMLSA-N 2 2 356.470 0.856 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@H](c2ccccc2)C1 ZINC000817918507 1203126352 /nfs/dbraw/zinc/12/63/52/1203126352.db2.gz KLHBQIHGWDVLOU-FXAWDEMLSA-N 2 2 356.470 0.856 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001110107243 1203273893 /nfs/dbraw/zinc/27/38/93/1203273893.db2.gz APZJGEFTYXCOEQ-LMSBXDPUSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001110107243 1203273900 /nfs/dbraw/zinc/27/39/00/1203273900.db2.gz APZJGEFTYXCOEQ-LMSBXDPUSA-N 2 2 361.490 0.610 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]C[C@@H](C)O)cc1 ZINC001090888637 1203333336 /nfs/dbraw/zinc/33/33/36/1203333336.db2.gz RNHBDBWFQNAHDD-FHLIZLRMSA-N 2 2 358.442 0.857 20 0 FCADLP O=C(CO[C@H]1CCC[NH2+]C1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000844168201 1203337402 /nfs/dbraw/zinc/33/74/02/1203337402.db2.gz PSWLMYVQECTHQK-SFHVURJKSA-N 2 2 374.485 0.974 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844168723 1203337629 /nfs/dbraw/zinc/33/76/29/1203337629.db2.gz SHOHPSLUOMMKFJ-OAHLLOKOSA-N 2 2 360.458 0.781 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220189073 1224798132 /nfs/dbraw/zinc/79/81/32/1224798132.db2.gz LDUYLWZPSKPDAX-NILFDRSVSA-N 2 2 364.396 0.460 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@@H]1O)CC2 ZINC001220224501 1224808017 /nfs/dbraw/zinc/80/80/17/1224808017.db2.gz QGQAZYOUQYJUTI-JQHSSLGASA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@@H]1O)CC2 ZINC001220224501 1224808023 /nfs/dbraw/zinc/80/80/23/1224808023.db2.gz QGQAZYOUQYJUTI-JQHSSLGASA-N 2 2 362.474 0.342 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220233590 1224811731 /nfs/dbraw/zinc/81/17/31/1224811731.db2.gz BJSIQWCVFIUEOJ-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220233590 1224811736 /nfs/dbraw/zinc/81/17/36/1224811736.db2.gz BJSIQWCVFIUEOJ-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269074 1224817649 /nfs/dbraw/zinc/81/76/49/1224817649.db2.gz OYWOYCCOGABJJT-XKQJLSEDSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269074 1224817651 /nfs/dbraw/zinc/81/76/51/1224817651.db2.gz OYWOYCCOGABJJT-XKQJLSEDSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276561 1224819153 /nfs/dbraw/zinc/81/91/53/1224819153.db2.gz FCUGPAQBUZFYGT-SJORKVTESA-N 2 2 370.538 0.240 20 0 FCADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276561 1224819155 /nfs/dbraw/zinc/81/91/55/1224819155.db2.gz FCUGPAQBUZFYGT-SJORKVTESA-N 2 2 370.538 0.240 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277091 1224819577 /nfs/dbraw/zinc/81/95/77/1224819577.db2.gz QIDGEBDYKHWTKL-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277091 1224819579 /nfs/dbraw/zinc/81/95/79/1224819579.db2.gz QIDGEBDYKHWTKL-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220296381 1224822594 /nfs/dbraw/zinc/82/25/94/1224822594.db2.gz OCMVLUQQMNVLTO-VDESFZGPSA-N 2 2 370.453 0.708 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)n1 ZINC001086880017 1204855543 /nfs/dbraw/zinc/85/55/43/1204855543.db2.gz IFXWENPPUKUPJZ-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)n1 ZINC001086880017 1204855544 /nfs/dbraw/zinc/85/55/44/1204855544.db2.gz IFXWENPPUKUPJZ-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359748 1204882326 /nfs/dbraw/zinc/88/23/26/1204882326.db2.gz UKKHVCFSOHQDNG-RRFJBIMHSA-N 2 2 362.478 0.803 20 0 FCADLP C[C@@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359748 1204882328 /nfs/dbraw/zinc/88/23/28/1204882328.db2.gz UKKHVCFSOHQDNG-RRFJBIMHSA-N 2 2 362.478 0.803 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]C[C@H]2CCOC2)cn1 ZINC001087003944 1204891591 /nfs/dbraw/zinc/89/15/91/1204891591.db2.gz XLHRMECQPWVGAJ-VNQPRFMTSA-N 2 2 358.446 0.306 20 0 FCADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001087012372 1204898789 /nfs/dbraw/zinc/89/87/89/1204898789.db2.gz UGVQDVCMNBUBHV-DLBZAZTESA-N 2 2 369.429 0.697 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087038580 1204917581 /nfs/dbraw/zinc/91/75/81/1204917581.db2.gz NMCWLZQTJMQAHS-OAGGEKHMSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087038580 1204917594 /nfs/dbraw/zinc/91/75/94/1204917594.db2.gz NMCWLZQTJMQAHS-OAGGEKHMSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](C)c1nncn1C ZINC001087088136 1204977150 /nfs/dbraw/zinc/97/71/50/1204977150.db2.gz LCMGHJABUFUQML-UMVBOHGHSA-N 2 2 361.450 0.295 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087101654 1204999159 /nfs/dbraw/zinc/99/91/59/1204999159.db2.gz VROYNAWMKXKBPA-HUUCEWRRSA-N 2 2 362.434 0.536 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1conc1C ZINC001087097107 1205005582 /nfs/dbraw/zinc/00/55/82/1205005582.db2.gz WEXQWOUHAOPUOZ-RHSMWYFYSA-N 2 2 361.446 0.912 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087097148 1205005604 /nfs/dbraw/zinc/00/56/04/1205005604.db2.gz YRJBYPMDDRCKJX-CZUORRHYSA-N 2 2 362.434 0.307 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001091785425 1205012141 /nfs/dbraw/zinc/01/21/41/1205012141.db2.gz BUNRCMSVCOEDCZ-NRXGSXMXSA-N 2 2 353.426 0.845 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091785425 1205012145 /nfs/dbraw/zinc/01/21/45/1205012145.db2.gz BUNRCMSVCOEDCZ-NRXGSXMXSA-N 2 2 353.426 0.845 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)c[nH+]1 ZINC001091780196 1205026225 /nfs/dbraw/zinc/02/62/25/1205026225.db2.gz ZAMNSYRVAPWPFK-CLCXKQKWSA-N 2 2 359.474 0.595 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)c[nH+]1 ZINC001091780196 1205026226 /nfs/dbraw/zinc/02/62/26/1205026226.db2.gz ZAMNSYRVAPWPFK-CLCXKQKWSA-N 2 2 359.474 0.595 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780379 1205026395 /nfs/dbraw/zinc/02/63/95/1205026395.db2.gz IBZYLHBMMYKGJZ-BQUDOFGOSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780379 1205026397 /nfs/dbraw/zinc/02/63/97/1205026397.db2.gz IBZYLHBMMYKGJZ-BQUDOFGOSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780379 1205026401 /nfs/dbraw/zinc/02/64/01/1205026401.db2.gz IBZYLHBMMYKGJZ-BQUDOFGOSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091780379 1205026407 /nfs/dbraw/zinc/02/64/07/1205026407.db2.gz IBZYLHBMMYKGJZ-BQUDOFGOSA-N 2 2 363.462 0.377 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nccn4C)C[C@@]3(C)C2)O1 ZINC001091780317 1205026474 /nfs/dbraw/zinc/02/64/74/1205026474.db2.gz FRTFTZYTXSLFKI-NNFUDEMPSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nccn4C)C[C@@]3(C)C2)O1 ZINC001091780317 1205026478 /nfs/dbraw/zinc/02/64/78/1205026478.db2.gz FRTFTZYTXSLFKI-NNFUDEMPSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4nccn4C)C[C@@]3(C)C2)O1 ZINC001091780317 1205026483 /nfs/dbraw/zinc/02/64/83/1205026483.db2.gz FRTFTZYTXSLFKI-NNFUDEMPSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nccn4C)C[C@@]3(C)C2)O1 ZINC001091780317 1205026487 /nfs/dbraw/zinc/02/64/87/1205026487.db2.gz FRTFTZYTXSLFKI-NNFUDEMPSA-N 2 2 361.490 0.420 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779959 1205026551 /nfs/dbraw/zinc/02/65/51/1205026551.db2.gz QRTGLADSFIJUCN-VCBZYWHSSA-N 2 2 361.490 0.971 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779959 1205026556 /nfs/dbraw/zinc/02/65/56/1205026556.db2.gz QRTGLADSFIJUCN-VCBZYWHSSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860913 1205054681 /nfs/dbraw/zinc/05/46/81/1205054681.db2.gz OQUOZWUTRBODMU-KSMMKXTCSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860913 1205054685 /nfs/dbraw/zinc/05/46/85/1205054685.db2.gz OQUOZWUTRBODMU-KSMMKXTCSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091898242 1205076941 /nfs/dbraw/zinc/07/69/41/1205076941.db2.gz MLTRHSASMDUEOT-GJYPPUQNSA-N 2 2 369.473 0.833 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091898242 1205076947 /nfs/dbraw/zinc/07/69/47/1205076947.db2.gz MLTRHSASMDUEOT-GJYPPUQNSA-N 2 2 369.473 0.833 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091953419 1205089980 /nfs/dbraw/zinc/08/99/80/1205089980.db2.gz JXBIOCIPFPKSIV-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091953419 1205089983 /nfs/dbraw/zinc/08/99/83/1205089983.db2.gz JXBIOCIPFPKSIV-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953419 1205089985 /nfs/dbraw/zinc/08/99/85/1205089985.db2.gz JXBIOCIPFPKSIV-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091953419 1205089987 /nfs/dbraw/zinc/08/99/87/1205089987.db2.gz JXBIOCIPFPKSIV-GGXPGOJBSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C)[NH+](C)C ZINC001091996792 1205097674 /nfs/dbraw/zinc/09/76/74/1205097674.db2.gz YPWXCMQUCXIAAY-UKPHBRMFSA-N 2 2 360.506 0.888 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013498 1205113762 /nfs/dbraw/zinc/11/37/62/1205113762.db2.gz SUCMQWYBIOJZHQ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013498 1205113768 /nfs/dbraw/zinc/11/37/68/1205113768.db2.gz SUCMQWYBIOJZHQ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013498 1205113773 /nfs/dbraw/zinc/11/37/73/1205113773.db2.gz SUCMQWYBIOJZHQ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013498 1205113778 /nfs/dbraw/zinc/11/37/78/1205113778.db2.gz SUCMQWYBIOJZHQ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092136583 1205178600 /nfs/dbraw/zinc/17/86/00/1205178600.db2.gz WOGFBBLXFOFYBL-BEFAXECRSA-N 2 2 368.441 0.407 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@]2(C)C1 ZINC001092136583 1205178604 /nfs/dbraw/zinc/17/86/04/1205178604.db2.gz WOGFBBLXFOFYBL-BEFAXECRSA-N 2 2 368.441 0.407 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092203648 1205197641 /nfs/dbraw/zinc/19/76/41/1205197641.db2.gz FSJDHOXRISFOLU-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092203648 1205197646 /nfs/dbraw/zinc/19/76/46/1205197646.db2.gz FSJDHOXRISFOLU-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229266 1205203546 /nfs/dbraw/zinc/20/35/46/1205203546.db2.gz KPEMPQPIFHVKCH-KDOFPFPSSA-N 2 2 357.462 0.853 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001092229266 1205203547 /nfs/dbraw/zinc/20/35/47/1205203547.db2.gz KPEMPQPIFHVKCH-KDOFPFPSSA-N 2 2 357.462 0.853 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273808 1205220847 /nfs/dbraw/zinc/22/08/47/1205220847.db2.gz SKZHRFLECCLGMJ-LBTNJELSSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092273808 1205220849 /nfs/dbraw/zinc/22/08/49/1205220849.db2.gz SKZHRFLECCLGMJ-LBTNJELSSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273808 1205220851 /nfs/dbraw/zinc/22/08/51/1205220851.db2.gz SKZHRFLECCLGMJ-LBTNJELSSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092273808 1205220853 /nfs/dbraw/zinc/22/08/53/1205220853.db2.gz SKZHRFLECCLGMJ-LBTNJELSSA-N 2 2 363.462 0.448 20 0 FCADLP CCCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272963 1205221041 /nfs/dbraw/zinc/22/10/41/1205221041.db2.gz JVPBXNOTDNBTIB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272963 1205221043 /nfs/dbraw/zinc/22/10/43/1205221043.db2.gz JVPBXNOTDNBTIB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272963 1205221044 /nfs/dbraw/zinc/22/10/44/1205221044.db2.gz JVPBXNOTDNBTIB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272963 1205221046 /nfs/dbraw/zinc/22/10/46/1205221046.db2.gz JVPBXNOTDNBTIB-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1C ZINC001092276538 1205223400 /nfs/dbraw/zinc/22/34/00/1205223400.db2.gz SDGTYPIFBCZWRP-BEFAXECRSA-N 2 2 371.489 0.863 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1C ZINC001092276538 1205223407 /nfs/dbraw/zinc/22/34/07/1205223407.db2.gz SDGTYPIFBCZWRP-BEFAXECRSA-N 2 2 371.489 0.863 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287193 1205253626 /nfs/dbraw/zinc/25/36/26/1205253626.db2.gz WZUOQUGYSWCBIP-AYBZRNKSSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287193 1205253629 /nfs/dbraw/zinc/25/36/29/1205253629.db2.gz WZUOQUGYSWCBIP-AYBZRNKSSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287193 1205253635 /nfs/dbraw/zinc/25/36/35/1205253635.db2.gz WZUOQUGYSWCBIP-AYBZRNKSSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)C1 ZINC001092287193 1205253639 /nfs/dbraw/zinc/25/36/39/1205253639.db2.gz WZUOQUGYSWCBIP-AYBZRNKSSA-N 2 2 361.490 0.421 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092390116 1205270601 /nfs/dbraw/zinc/27/06/01/1205270601.db2.gz DLMJTMBMOXHZLZ-ZIAGYGMSSA-N 2 2 359.478 0.894 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092390116 1205270604 /nfs/dbraw/zinc/27/06/04/1205270604.db2.gz DLMJTMBMOXHZLZ-ZIAGYGMSSA-N 2 2 359.478 0.894 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)C1 ZINC001092445034 1205282091 /nfs/dbraw/zinc/28/20/91/1205282091.db2.gz MHGDXGXQCYSHND-RRFJBIMHSA-N 2 2 371.489 0.894 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)C1 ZINC001092445034 1205282095 /nfs/dbraw/zinc/28/20/95/1205282095.db2.gz MHGDXGXQCYSHND-RRFJBIMHSA-N 2 2 371.489 0.894 20 0 FCADLP CC(C)n1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522031 1205302408 /nfs/dbraw/zinc/30/24/08/1205302408.db2.gz JFFLXDCNCFQPOO-BFYDXBDKSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522031 1205302411 /nfs/dbraw/zinc/30/24/11/1205302411.db2.gz JFFLXDCNCFQPOO-BFYDXBDKSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522031 1205302415 /nfs/dbraw/zinc/30/24/15/1205302415.db2.gz JFFLXDCNCFQPOO-BFYDXBDKSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522031 1205302419 /nfs/dbraw/zinc/30/24/19/1205302419.db2.gz JFFLXDCNCFQPOO-BFYDXBDKSA-N 2 2 364.494 0.374 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742293 1205349590 /nfs/dbraw/zinc/34/95/90/1205349590.db2.gz QYYIHERXKNSVPI-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001092742293 1205349591 /nfs/dbraw/zinc/34/95/91/1205349591.db2.gz QYYIHERXKNSVPI-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220479905 1224886807 /nfs/dbraw/zinc/88/68/07/1224886807.db2.gz FHEQHXZISWLFEX-CVEARBPZSA-N 2 2 368.478 0.221 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220479905 1224886809 /nfs/dbraw/zinc/88/68/09/1224886809.db2.gz FHEQHXZISWLFEX-CVEARBPZSA-N 2 2 368.478 0.221 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910645 1205940598 /nfs/dbraw/zinc/94/05/98/1205940598.db2.gz HXKJFTSVSPYNTI-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910645 1205940599 /nfs/dbraw/zinc/94/05/99/1205940599.db2.gz HXKJFTSVSPYNTI-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910645 1205940602 /nfs/dbraw/zinc/94/06/02/1205940602.db2.gz HXKJFTSVSPYNTI-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910645 1205940608 /nfs/dbraw/zinc/94/06/08/1205940608.db2.gz HXKJFTSVSPYNTI-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3nncn3C)C[C@H]1C)CC2 ZINC001092913299 1205941844 /nfs/dbraw/zinc/94/18/44/1205941844.db2.gz HFBPERDEDVXOHH-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3nncn3C)C[C@H]1C)CC2 ZINC001092913299 1205941846 /nfs/dbraw/zinc/94/18/46/1205941846.db2.gz HFBPERDEDVXOHH-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918649 1205945232 /nfs/dbraw/zinc/94/52/32/1205945232.db2.gz KBJRUGAKOOKCJR-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918649 1205945235 /nfs/dbraw/zinc/94/52/35/1205945235.db2.gz KBJRUGAKOOKCJR-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093099812 1206016877 /nfs/dbraw/zinc/01/68/77/1206016877.db2.gz JGSYLJIZFRQLPY-GDBMZVCRSA-N 2 2 355.442 0.916 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093099812 1206016881 /nfs/dbraw/zinc/01/68/81/1206016881.db2.gz JGSYLJIZFRQLPY-GDBMZVCRSA-N 2 2 355.442 0.916 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102469 1206017913 /nfs/dbraw/zinc/01/79/13/1206017913.db2.gz GAPYBLFREVKCCZ-HZSPNIEDSA-N 2 2 356.430 0.439 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102469 1206017917 /nfs/dbraw/zinc/01/79/17/1206017917.db2.gz GAPYBLFREVKCCZ-HZSPNIEDSA-N 2 2 356.430 0.439 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001093104926 1206018916 /nfs/dbraw/zinc/01/89/16/1206018916.db2.gz OWBFJHGPCXEKDP-UGSOOPFHSA-N 2 2 357.462 0.790 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133229 1206033128 /nfs/dbraw/zinc/03/31/28/1206033128.db2.gz XBJBTYZECNIZNS-UKRRQHHQSA-N 2 2 358.490 0.962 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133229 1206033131 /nfs/dbraw/zinc/03/31/31/1206033131.db2.gz XBJBTYZECNIZNS-UKRRQHHQSA-N 2 2 358.490 0.962 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001093289771 1206073699 /nfs/dbraw/zinc/07/36/99/1206073699.db2.gz ZNXUXXRJZBAWQQ-FVQBIDKESA-N 2 2 361.490 0.956 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1 ZINC001093691395 1206101422 /nfs/dbraw/zinc/10/14/22/1206101422.db2.gz TVLPOCHSHCQAOX-BFYDXBDKSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1 ZINC001093691395 1206101423 /nfs/dbraw/zinc/10/14/23/1206101423.db2.gz TVLPOCHSHCQAOX-BFYDXBDKSA-N 2 2 364.494 0.374 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH2+][C@@H]4CCNC4=O)[C@H](C)C3)ccn12 ZINC001093770368 1206112869 /nfs/dbraw/zinc/11/28/69/1206112869.db2.gz MIMVGMRKKBRBOK-DAXOMENPSA-N 2 2 355.442 0.829 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)c[nH+]1 ZINC001093856759 1206131637 /nfs/dbraw/zinc/13/16/37/1206131637.db2.gz CPASYTNMGGYTTK-UKRRQHHQSA-N 2 2 359.478 0.939 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001093857515 1206135369 /nfs/dbraw/zinc/13/53/69/1206135369.db2.gz JFCDERNRYMVVOW-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001093857515 1206135370 /nfs/dbraw/zinc/13/53/70/1206135370.db2.gz JFCDERNRYMVVOW-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093872726 1206139354 /nfs/dbraw/zinc/13/93/54/1206139354.db2.gz AIJKSXOMLPQOJF-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093873892 1206139502 /nfs/dbraw/zinc/13/95/02/1206139502.db2.gz UMQNJLNXWLTAPA-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001093940674 1206163518 /nfs/dbraw/zinc/16/35/18/1206163518.db2.gz XWKPLTQSKHVXFK-INMHGKMJSA-N 2 2 365.478 0.755 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnon2)[C@H](C)C1 ZINC001093940674 1206163520 /nfs/dbraw/zinc/16/35/20/1206163520.db2.gz XWKPLTQSKHVXFK-INMHGKMJSA-N 2 2 365.478 0.755 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094032423 1206172308 /nfs/dbraw/zinc/17/23/08/1206172308.db2.gz JLICYNOFCUQJEI-UPJWGTAASA-N 2 2 358.450 0.237 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094034698 1206172722 /nfs/dbraw/zinc/17/27/22/1206172722.db2.gz SMDXPQMNFIVPQQ-UMVBOHGHSA-N 2 2 357.462 0.842 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C)[nH]1 ZINC001094055447 1206177326 /nfs/dbraw/zinc/17/73/26/1206177326.db2.gz UGBACCBPYODMSH-NMFUWQPSSA-N 2 2 357.462 0.834 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094072404 1206179607 /nfs/dbraw/zinc/17/96/07/1206179607.db2.gz QIOWGXDNKLSLBB-TZMCWYRMSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094075177 1206179862 /nfs/dbraw/zinc/17/98/62/1206179862.db2.gz YXACMTXGDWNDAJ-VXGBXAGGSA-N 2 2 367.404 0.693 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)no1 ZINC001094113918 1206186278 /nfs/dbraw/zinc/18/62/78/1206186278.db2.gz JXDBCCGSWUGVCN-HUUCEWRRSA-N 2 2 365.478 0.538 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001094132603 1206190092 /nfs/dbraw/zinc/19/00/92/1206190092.db2.gz NPWUPWKCUVAOJG-CHWSQXEVSA-N 2 2 359.430 0.897 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094162855 1206196977 /nfs/dbraw/zinc/19/69/77/1206196977.db2.gz XZYKVVGIMSMHDL-FMKPAKJESA-N 2 2 368.441 0.454 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001094189789 1206204996 /nfs/dbraw/zinc/20/49/96/1206204996.db2.gz MUXLJXBYIDBIOT-DGCLKSJQSA-N 2 2 361.450 0.594 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001094244112 1206210143 /nfs/dbraw/zinc/21/01/43/1206210143.db2.gz DWDXMNDWSYTTMV-UNEWFSDZSA-N 2 2 358.446 0.952 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@H]2C)[nH]1 ZINC001094244575 1206210309 /nfs/dbraw/zinc/21/03/09/1206210309.db2.gz YUULWCSSKCLOMF-QBIMZIAESA-N 2 2 371.489 0.995 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453462 1206228828 /nfs/dbraw/zinc/22/88/28/1206228828.db2.gz UZFLDVYLOMQROX-SPYBWZPUSA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453462 1206228829 /nfs/dbraw/zinc/22/88/29/1206228829.db2.gz UZFLDVYLOMQROX-SPYBWZPUSA-N 2 2 359.474 0.552 20 0 FCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879266 1206253084 /nfs/dbraw/zinc/25/30/84/1206253084.db2.gz RVJMCLXKXHNPDI-KURKYZTESA-N 2 2 371.522 0.513 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172236930 1206260625 /nfs/dbraw/zinc/26/06/25/1206260625.db2.gz FRGXGNLBDWWVAC-MQVJKMGUSA-N 2 2 371.485 0.652 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172236930 1206260631 /nfs/dbraw/zinc/26/06/31/1206260631.db2.gz FRGXGNLBDWWVAC-MQVJKMGUSA-N 2 2 371.485 0.652 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755229 1206288128 /nfs/dbraw/zinc/28/81/28/1206288128.db2.gz UOJNVUMFVBFOFZ-HZPDHXFCSA-N 2 2 361.494 0.833 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755229 1206288131 /nfs/dbraw/zinc/28/81/31/1206288131.db2.gz UOJNVUMFVBFOFZ-HZPDHXFCSA-N 2 2 361.494 0.833 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O)C(C)C ZINC001220573513 1224942067 /nfs/dbraw/zinc/94/20/67/1224942067.db2.gz ZAJYUKZCZBTTLE-FGTMMUONSA-N 2 2 365.522 0.756 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O)C(C)C ZINC001220573513 1224942075 /nfs/dbraw/zinc/94/20/75/1224942075.db2.gz ZAJYUKZCZBTTLE-FGTMMUONSA-N 2 2 365.522 0.756 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110190612 1206308659 /nfs/dbraw/zinc/30/86/59/1206308659.db2.gz GVNVFMTYMOQHHF-BDXSIMOUSA-N 2 2 372.473 0.642 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110190612 1206308660 /nfs/dbraw/zinc/30/86/60/1206308660.db2.gz GVNVFMTYMOQHHF-BDXSIMOUSA-N 2 2 372.473 0.642 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110192954 1206310523 /nfs/dbraw/zinc/31/05/23/1206310523.db2.gz KFDOXKVVUPXAKV-PMPSAXMXSA-N 2 2 360.462 0.410 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110192954 1206310527 /nfs/dbraw/zinc/31/05/27/1206310527.db2.gz KFDOXKVVUPXAKV-PMPSAXMXSA-N 2 2 360.462 0.410 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001176356354 1206313191 /nfs/dbraw/zinc/31/31/91/1206313191.db2.gz ZRKPCYBCLPAYSK-MRXNPFEDSA-N 2 2 374.420 0.776 20 0 FCADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001176356354 1206313194 /nfs/dbraw/zinc/31/31/94/1206313194.db2.gz ZRKPCYBCLPAYSK-MRXNPFEDSA-N 2 2 374.420 0.776 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001177089682 1206329598 /nfs/dbraw/zinc/32/95/98/1206329598.db2.gz YANWBEMHDOEKDC-LBPRGKRZSA-N 2 2 361.406 0.321 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001177089682 1206329600 /nfs/dbraw/zinc/32/96/00/1206329600.db2.gz YANWBEMHDOEKDC-LBPRGKRZSA-N 2 2 361.406 0.321 20 0 FCADLP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001178000390 1206350604 /nfs/dbraw/zinc/35/06/04/1206350604.db2.gz LZAZCTMHQPWQNQ-UHFFFAOYSA-N 2 2 355.442 0.979 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178505567 1206357911 /nfs/dbraw/zinc/35/79/11/1206357911.db2.gz DATKNWDAJFNVJJ-HZPDHXFCSA-N 2 2 361.490 0.905 20 0 FCADLP O=C(NCCCCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752185 1206364838 /nfs/dbraw/zinc/36/48/38/1206364838.db2.gz JNVVVSBARRUVTK-HUUCEWRRSA-N 2 2 362.478 0.805 20 0 FCADLP O=C(NCCCCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752185 1206364840 /nfs/dbraw/zinc/36/48/40/1206364840.db2.gz JNVVVSBARRUVTK-HUUCEWRRSA-N 2 2 362.478 0.805 20 0 FCADLP Nc1cc(CC(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)cc[nH+]1 ZINC001181239513 1206406175 /nfs/dbraw/zinc/40/61/75/1206406175.db2.gz AODWTOUHNMBCJX-UHFFFAOYSA-N 2 2 356.430 0.163 20 0 FCADLP Nc1cc(CC(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)cc[nH+]1 ZINC001181248662 1206406603 /nfs/dbraw/zinc/40/66/03/1206406603.db2.gz MTWVTZCXUYDCOP-UHFFFAOYSA-N 2 2 365.397 0.863 20 0 FCADLP CCCC[N@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)c1ccccc1 ZINC001182236321 1206424765 /nfs/dbraw/zinc/42/47/65/1206424765.db2.gz LOOMKUATFPMUQH-OWSLCNJRSA-N 2 2 360.506 0.369 20 0 FCADLP CCCC[N@@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)c1ccccc1 ZINC001182236321 1206424767 /nfs/dbraw/zinc/42/47/67/1206424767.db2.gz LOOMKUATFPMUQH-OWSLCNJRSA-N 2 2 360.506 0.369 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182838939 1206445003 /nfs/dbraw/zinc/44/50/03/1206445003.db2.gz WIDMQRURAREPMM-JTDSTZFVSA-N 2 2 367.490 0.724 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182838939 1206445005 /nfs/dbraw/zinc/44/50/05/1206445005.db2.gz WIDMQRURAREPMM-JTDSTZFVSA-N 2 2 367.490 0.724 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001183359223 1206451875 /nfs/dbraw/zinc/45/18/75/1206451875.db2.gz BNNSHCRULJRESH-IEBWSBKVSA-N 2 2 368.522 0.260 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001183359223 1206451879 /nfs/dbraw/zinc/45/18/79/1206451879.db2.gz BNNSHCRULJRESH-IEBWSBKVSA-N 2 2 368.522 0.260 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(C4CC4)CC3)CC2)C1=O ZINC001183800015 1206460819 /nfs/dbraw/zinc/46/08/19/1206460819.db2.gz LONIZWXQGQZYRW-UHFFFAOYSA-N 2 2 362.518 0.873 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(C4CC4)CC3)CC2)C1=O ZINC001183800015 1206460821 /nfs/dbraw/zinc/46/08/21/1206460821.db2.gz LONIZWXQGQZYRW-UHFFFAOYSA-N 2 2 362.518 0.873 20 0 FCADLP Cc1cncc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001203167886 1206462351 /nfs/dbraw/zinc/46/23/51/1206462351.db2.gz LOGKSKHVNCJUJU-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP Cc1cncc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001203167886 1206462352 /nfs/dbraw/zinc/46/23/52/1206462352.db2.gz LOGKSKHVNCJUJU-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(Nc3ncnc4c3C[NH+](C)CC4)CC2)CC[N@@H+]1C ZINC001110374104 1206491075 /nfs/dbraw/zinc/49/10/75/1206491075.db2.gz MDMUYHGXLMGOSK-ZIAGYGMSSA-N 2 2 358.490 0.865 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(Nc3ncnc4c3C[NH+](C)CC4)CC2)CC[N@H+]1C ZINC001110374104 1206491076 /nfs/dbraw/zinc/49/10/76/1206491076.db2.gz MDMUYHGXLMGOSK-ZIAGYGMSSA-N 2 2 358.490 0.865 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(Nc3ncnc4c3C[N@H+](C)CC4)CC2)CC[NH+]1C ZINC001110374104 1206491077 /nfs/dbraw/zinc/49/10/77/1206491077.db2.gz MDMUYHGXLMGOSK-ZIAGYGMSSA-N 2 2 358.490 0.865 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(Nc3ncnc4c3C[N@@H+](C)CC4)CC2)CC[NH+]1C ZINC001110374104 1206491078 /nfs/dbraw/zinc/49/10/78/1206491078.db2.gz MDMUYHGXLMGOSK-ZIAGYGMSSA-N 2 2 358.490 0.865 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325940 1206520912 /nfs/dbraw/zinc/52/09/12/1206520912.db2.gz FKUGZRMVBKQYHX-GBESFXJTSA-N 2 2 370.497 0.930 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325940 1206520913 /nfs/dbraw/zinc/52/09/13/1206520913.db2.gz FKUGZRMVBKQYHX-GBESFXJTSA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325940 1206520914 /nfs/dbraw/zinc/52/09/14/1206520914.db2.gz FKUGZRMVBKQYHX-GBESFXJTSA-N 2 2 370.497 0.930 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327114 1206521057 /nfs/dbraw/zinc/52/10/57/1206521057.db2.gz WUIPIFIMNXTQNP-OKZBNKHCSA-N 2 2 371.485 0.325 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327114 1206521059 /nfs/dbraw/zinc/52/10/59/1206521059.db2.gz WUIPIFIMNXTQNP-OKZBNKHCSA-N 2 2 371.485 0.325 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3cccnc3)C[C@H]21 ZINC001187327114 1206521062 /nfs/dbraw/zinc/52/10/62/1206521062.db2.gz WUIPIFIMNXTQNP-OKZBNKHCSA-N 2 2 371.485 0.325 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187978593 1207406769 /nfs/dbraw/zinc/40/67/69/1207406769.db2.gz MBAPUUJOYHLIBX-DOTOQJQBSA-N 2 2 362.474 0.304 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001187978593 1207406773 /nfs/dbraw/zinc/40/67/73/1207406773.db2.gz MBAPUUJOYHLIBX-DOTOQJQBSA-N 2 2 362.474 0.304 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001220656236 1224993919 /nfs/dbraw/zinc/99/39/19/1224993919.db2.gz RGTXXQYGWPSPRS-GOSISDBHSA-N 3 2 353.470 0.985 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158827 1207433152 /nfs/dbraw/zinc/43/31/52/1207433152.db2.gz RGGKVUOUPUBYNQ-DOTOQJQBSA-N 2 2 363.462 0.028 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158827 1207433155 /nfs/dbraw/zinc/43/31/55/1207433155.db2.gz RGGKVUOUPUBYNQ-DOTOQJQBSA-N 2 2 363.462 0.028 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158827 1207433159 /nfs/dbraw/zinc/43/31/59/1207433159.db2.gz RGGKVUOUPUBYNQ-DOTOQJQBSA-N 2 2 363.462 0.028 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158827 1207433163 /nfs/dbraw/zinc/43/31/63/1207433163.db2.gz RGGKVUOUPUBYNQ-DOTOQJQBSA-N 2 2 363.462 0.028 20 0 FCADLP C[N@H+](C1CN(C(=O)c2ccccc2CN2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001188355161 1207450425 /nfs/dbraw/zinc/45/04/25/1207450425.db2.gz ZTVGNLKUPLDGKT-SFHVURJKSA-N 2 2 372.513 0.979 20 0 FCADLP C[N@@H+](C1CN(C(=O)c2ccccc2CN2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001188355161 1207450428 /nfs/dbraw/zinc/45/04/28/1207450428.db2.gz ZTVGNLKUPLDGKT-SFHVURJKSA-N 2 2 372.513 0.979 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](CC)CC ZINC001189109604 1207501535 /nfs/dbraw/zinc/50/15/35/1207501535.db2.gz BBSAMLRGPDDNOI-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](CC)CC ZINC001189109604 1207501539 /nfs/dbraw/zinc/50/15/39/1207501539.db2.gz BBSAMLRGPDDNOI-SOUVJXGZSA-N 2 2 364.494 0.262 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220673692 1225004736 /nfs/dbraw/zinc/00/47/36/1225004736.db2.gz IZQXEZQKOMWNBP-IRXDYDNUSA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220673692 1225004745 /nfs/dbraw/zinc/00/47/45/1225004745.db2.gz IZQXEZQKOMWNBP-IRXDYDNUSA-N 2 2 354.458 0.957 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190480933 1207686483 /nfs/dbraw/zinc/68/64/83/1207686483.db2.gz MQRVAYSLEQHOEN-SOUVJXGZSA-N 2 2 359.430 0.001 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190480933 1207686489 /nfs/dbraw/zinc/68/64/89/1207686489.db2.gz MQRVAYSLEQHOEN-SOUVJXGZSA-N 2 2 359.430 0.001 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900780 1207731429 /nfs/dbraw/zinc/73/14/29/1207731429.db2.gz RYLOQPSYYNJIAZ-HYVNUMGLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900780 1207731434 /nfs/dbraw/zinc/73/14/34/1207731434.db2.gz RYLOQPSYYNJIAZ-HYVNUMGLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900780 1207731441 /nfs/dbraw/zinc/73/14/41/1207731441.db2.gz RYLOQPSYYNJIAZ-HYVNUMGLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900780 1207731446 /nfs/dbraw/zinc/73/14/46/1207731446.db2.gz RYLOQPSYYNJIAZ-HYVNUMGLSA-N 2 2 366.506 0.107 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001192639926 1207841273 /nfs/dbraw/zinc/84/12/73/1207841273.db2.gz MIVDYCXVNRRJHF-BRWVUGGUSA-N 2 2 358.442 0.891 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001192639926 1207841275 /nfs/dbraw/zinc/84/12/75/1207841275.db2.gz MIVDYCXVNRRJHF-BRWVUGGUSA-N 2 2 358.442 0.891 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132058 1207860955 /nfs/dbraw/zinc/86/09/55/1207860955.db2.gz XVMUEOUBIDLMAA-IXDOHACOSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132058 1207860957 /nfs/dbraw/zinc/86/09/57/1207860957.db2.gz XVMUEOUBIDLMAA-IXDOHACOSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001193132058 1207860959 /nfs/dbraw/zinc/86/09/59/1207860959.db2.gz XVMUEOUBIDLMAA-IXDOHACOSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001193132058 1207860961 /nfs/dbraw/zinc/86/09/61/1207860961.db2.gz XVMUEOUBIDLMAA-IXDOHACOSA-N 2 2 365.478 0.376 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)ccn1 ZINC001193782102 1207888935 /nfs/dbraw/zinc/88/89/35/1207888935.db2.gz SDPPFBWCPZQNND-NUJGCVRESA-N 2 2 361.490 0.149 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)ccn1 ZINC001193782102 1207888938 /nfs/dbraw/zinc/88/89/38/1207888938.db2.gz SDPPFBWCPZQNND-NUJGCVRESA-N 2 2 361.490 0.149 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CC1 ZINC001193791386 1207889200 /nfs/dbraw/zinc/88/92/00/1207889200.db2.gz LDIRMDFFWCZASR-BRWVUGGUSA-N 2 2 363.506 0.640 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CC1 ZINC001193791386 1207889201 /nfs/dbraw/zinc/88/92/01/1207889201.db2.gz LDIRMDFFWCZASR-BRWVUGGUSA-N 2 2 363.506 0.640 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193791702 1207889506 /nfs/dbraw/zinc/88/95/06/1207889506.db2.gz PDMHADYALRYOSQ-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791702 1207889508 /nfs/dbraw/zinc/88/95/08/1207889508.db2.gz PDMHADYALRYOSQ-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791702 1207889510 /nfs/dbraw/zinc/88/95/10/1207889510.db2.gz PDMHADYALRYOSQ-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CCC1 ZINC001193765612 1207890803 /nfs/dbraw/zinc/89/08/03/1207890803.db2.gz DTSUZCHPJLJCLI-HZPDHXFCSA-N 2 2 363.506 0.784 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CCC1 ZINC001193765612 1207890804 /nfs/dbraw/zinc/89/08/04/1207890804.db2.gz DTSUZCHPJLJCLI-HZPDHXFCSA-N 2 2 363.506 0.784 20 0 FCADLP Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)[nH]1 ZINC001193904226 1207898210 /nfs/dbraw/zinc/89/82/10/1207898210.db2.gz PTQUCIIRVHYQJL-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)[nH]1 ZINC001193904226 1207898213 /nfs/dbraw/zinc/89/82/13/1207898213.db2.gz PTQUCIIRVHYQJL-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001194235512 1207925710 /nfs/dbraw/zinc/92/57/10/1207925710.db2.gz KXFKKEYIYKTFEZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001194235512 1207925713 /nfs/dbraw/zinc/92/57/13/1207925713.db2.gz KXFKKEYIYKTFEZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001194235512 1207925716 /nfs/dbraw/zinc/92/57/16/1207925716.db2.gz KXFKKEYIYKTFEZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1O ZINC001194235512 1207925719 /nfs/dbraw/zinc/92/57/19/1207925719.db2.gz KXFKKEYIYKTFEZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264762 1207928390 /nfs/dbraw/zinc/92/83/90/1207928390.db2.gz GAAFMOOKQWUYBC-RBSFLKMASA-N 2 2 370.538 0.571 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264762 1207928393 /nfs/dbraw/zinc/92/83/93/1207928393.db2.gz GAAFMOOKQWUYBC-RBSFLKMASA-N 2 2 370.538 0.571 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264762 1207928397 /nfs/dbraw/zinc/92/83/97/1207928397.db2.gz GAAFMOOKQWUYBC-RBSFLKMASA-N 2 2 370.538 0.571 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001194264762 1207928402 /nfs/dbraw/zinc/92/84/02/1207928402.db2.gz GAAFMOOKQWUYBC-RBSFLKMASA-N 2 2 370.538 0.571 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265243 1207928641 /nfs/dbraw/zinc/92/86/41/1207928641.db2.gz OFZZRKNXISALHZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265243 1207928647 /nfs/dbraw/zinc/92/86/47/1207928647.db2.gz OFZZRKNXISALHZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265243 1207928651 /nfs/dbraw/zinc/92/86/51/1207928651.db2.gz OFZZRKNXISALHZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265243 1207928655 /nfs/dbraw/zinc/92/86/55/1207928655.db2.gz OFZZRKNXISALHZ-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265278 1207928927 /nfs/dbraw/zinc/92/89/27/1207928927.db2.gz OVSSHLXIIVZQPH-BZUAXINKSA-N 2 2 370.538 0.429 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265278 1207928929 /nfs/dbraw/zinc/92/89/29/1207928929.db2.gz OVSSHLXIIVZQPH-BZUAXINKSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265278 1207928931 /nfs/dbraw/zinc/92/89/31/1207928931.db2.gz OVSSHLXIIVZQPH-BZUAXINKSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265278 1207928933 /nfs/dbraw/zinc/92/89/33/1207928933.db2.gz OVSSHLXIIVZQPH-BZUAXINKSA-N 2 2 370.538 0.429 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264694 1207928960 /nfs/dbraw/zinc/92/89/60/1207928960.db2.gz DSKPTRNKHNWOSN-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264694 1207928962 /nfs/dbraw/zinc/92/89/62/1207928962.db2.gz DSKPTRNKHNWOSN-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264694 1207928964 /nfs/dbraw/zinc/92/89/64/1207928964.db2.gz DSKPTRNKHNWOSN-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264694 1207928967 /nfs/dbraw/zinc/92/89/67/1207928967.db2.gz DSKPTRNKHNWOSN-NUEKZKHPSA-N 2 2 368.522 0.325 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298310 1207929369 /nfs/dbraw/zinc/92/93/69/1207929369.db2.gz DESTZJHHCVAGGQ-NUEKZKHPSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298310 1207929372 /nfs/dbraw/zinc/92/93/72/1207929372.db2.gz DESTZJHHCVAGGQ-NUEKZKHPSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194298310 1207929375 /nfs/dbraw/zinc/92/93/75/1207929375.db2.gz DESTZJHHCVAGGQ-NUEKZKHPSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194298310 1207929377 /nfs/dbraw/zinc/92/93/77/1207929377.db2.gz DESTZJHHCVAGGQ-NUEKZKHPSA-N 2 2 368.522 0.277 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290225 1207934657 /nfs/dbraw/zinc/93/46/57/1207934657.db2.gz RQQLMKSHTCYKTF-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290225 1207934659 /nfs/dbraw/zinc/93/46/59/1207934659.db2.gz RQQLMKSHTCYKTF-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744878 1207972248 /nfs/dbraw/zinc/97/22/48/1207972248.db2.gz FFGSOSQNYVRQGU-SJLPKXTDSA-N 2 2 364.490 0.740 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744878 1207972249 /nfs/dbraw/zinc/97/22/49/1207972249.db2.gz FFGSOSQNYVRQGU-SJLPKXTDSA-N 2 2 364.490 0.740 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194728494 1207974040 /nfs/dbraw/zinc/97/40/40/1207974040.db2.gz AVAHKEKIEFJGSS-OWCLPIDISA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194728494 1207974043 /nfs/dbraw/zinc/97/40/43/1207974043.db2.gz AVAHKEKIEFJGSS-OWCLPIDISA-N 2 2 359.430 0.153 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006872 1207988463 /nfs/dbraw/zinc/98/84/63/1207988463.db2.gz QZSZRBDWNKPKTH-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006872 1207988465 /nfs/dbraw/zinc/98/84/65/1207988465.db2.gz QZSZRBDWNKPKTH-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001195037646 1207990655 /nfs/dbraw/zinc/99/06/55/1207990655.db2.gz MUVMGSSZPIEIJU-ZTFGCOKTSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001195037646 1207990658 /nfs/dbraw/zinc/99/06/58/1207990658.db2.gz MUVMGSSZPIEIJU-ZTFGCOKTSA-N 2 2 358.442 0.808 20 0 FCADLP Cc1cncnc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001195360127 1208016366 /nfs/dbraw/zinc/01/63/66/1208016366.db2.gz LPXYYNPKENOQLD-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1cncnc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001195360127 1208016369 /nfs/dbraw/zinc/01/63/69/1208016369.db2.gz LPXYYNPKENOQLD-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549034 1208025412 /nfs/dbraw/zinc/02/54/12/1208025412.db2.gz POAMFVNWZJGJGG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549034 1208025414 /nfs/dbraw/zinc/02/54/14/1208025414.db2.gz POAMFVNWZJGJGG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549034 1208025416 /nfs/dbraw/zinc/02/54/16/1208025416.db2.gz POAMFVNWZJGJGG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549034 1208025417 /nfs/dbraw/zinc/02/54/17/1208025417.db2.gz POAMFVNWZJGJGG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549216 1208025447 /nfs/dbraw/zinc/02/54/47/1208025447.db2.gz TUSUUHOEXNXKHR-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549216 1208025450 /nfs/dbraw/zinc/02/54/50/1208025450.db2.gz TUSUUHOEXNXKHR-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549216 1208025452 /nfs/dbraw/zinc/02/54/52/1208025452.db2.gz TUSUUHOEXNXKHR-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@H]2O)C1 ZINC001195549216 1208025454 /nfs/dbraw/zinc/02/54/54/1208025454.db2.gz TUSUUHOEXNXKHR-GVDBMIGSSA-N 2 2 368.522 0.138 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1O ZINC001195821444 1208042072 /nfs/dbraw/zinc/04/20/72/1208042072.db2.gz JLXCNPXCAZCRDF-ARFHVFGLSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC001195821444 1208042075 /nfs/dbraw/zinc/04/20/75/1208042075.db2.gz JLXCNPXCAZCRDF-ARFHVFGLSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1O ZINC001195821444 1208042079 /nfs/dbraw/zinc/04/20/79/1208042079.db2.gz JLXCNPXCAZCRDF-ARFHVFGLSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC001195821444 1208042083 /nfs/dbraw/zinc/04/20/83/1208042083.db2.gz JLXCNPXCAZCRDF-ARFHVFGLSA-N 2 2 365.478 0.054 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001195870538 1208045201 /nfs/dbraw/zinc/04/52/01/1208045201.db2.gz IEGVLEMFGKTPNQ-QZTJIDSGSA-N 2 2 357.458 0.485 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001195870538 1208045205 /nfs/dbraw/zinc/04/52/05/1208045205.db2.gz IEGVLEMFGKTPNQ-QZTJIDSGSA-N 2 2 357.458 0.485 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871590 1208045309 /nfs/dbraw/zinc/04/53/09/1208045309.db2.gz QIDGEBDYKHWTKL-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871590 1208045311 /nfs/dbraw/zinc/04/53/11/1208045311.db2.gz QIDGEBDYKHWTKL-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001195981738 1208049149 /nfs/dbraw/zinc/04/91/49/1208049149.db2.gz ZQJWKGCOHXMTFL-KZNAEPCWSA-N 2 2 367.465 0.566 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222425 1208068100 /nfs/dbraw/zinc/06/81/00/1208068100.db2.gz OHDOGPGZKIJBHS-RBSFLKMASA-N 2 2 370.538 0.429 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222425 1208068103 /nfs/dbraw/zinc/06/81/03/1208068103.db2.gz OHDOGPGZKIJBHS-RBSFLKMASA-N 2 2 370.538 0.429 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222425 1208068106 /nfs/dbraw/zinc/06/81/06/1208068106.db2.gz OHDOGPGZKIJBHS-RBSFLKMASA-N 2 2 370.538 0.429 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222425 1208068108 /nfs/dbraw/zinc/06/81/08/1208068108.db2.gz OHDOGPGZKIJBHS-RBSFLKMASA-N 2 2 370.538 0.429 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O)[NH+](C)C ZINC001196276345 1208071844 /nfs/dbraw/zinc/07/18/44/1208071844.db2.gz NGTCNZLMOUPYQW-IXDOHACOSA-N 2 2 362.474 0.048 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O)[NH+](C)C ZINC001196276345 1208071847 /nfs/dbraw/zinc/07/18/47/1208071847.db2.gz NGTCNZLMOUPYQW-IXDOHACOSA-N 2 2 362.474 0.048 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636946 1208098718 /nfs/dbraw/zinc/09/87/18/1208098718.db2.gz GKHSLHKKLQGLCT-NUEKZKHPSA-N 2 2 368.522 0.183 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636946 1208098721 /nfs/dbraw/zinc/09/87/21/1208098721.db2.gz GKHSLHKKLQGLCT-NUEKZKHPSA-N 2 2 368.522 0.183 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1F ZINC001196953317 1208124491 /nfs/dbraw/zinc/12/44/91/1208124491.db2.gz CJFGNQYFHPZJKB-QZTJIDSGSA-N 2 2 365.449 0.518 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1F ZINC001196953317 1208124493 /nfs/dbraw/zinc/12/44/93/1208124493.db2.gz CJFGNQYFHPZJKB-QZTJIDSGSA-N 2 2 365.449 0.518 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001197001269 1208128737 /nfs/dbraw/zinc/12/87/37/1208128737.db2.gz XOHCGQMRYUZKCU-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001197001269 1208128739 /nfs/dbraw/zinc/12/87/39/1208128739.db2.gz XOHCGQMRYUZKCU-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001197001269 1208128743 /nfs/dbraw/zinc/12/87/43/1208128743.db2.gz XOHCGQMRYUZKCU-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001197001269 1208128749 /nfs/dbraw/zinc/12/87/49/1208128749.db2.gz XOHCGQMRYUZKCU-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001197049218 1208130847 /nfs/dbraw/zinc/13/08/47/1208130847.db2.gz KUXLJJHSEZSAQR-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001197049218 1208130849 /nfs/dbraw/zinc/13/08/49/1208130849.db2.gz KUXLJJHSEZSAQR-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)c1 ZINC001197319700 1208152502 /nfs/dbraw/zinc/15/25/02/1208152502.db2.gz PRAODKRYSXHKBL-QZTJIDSGSA-N 2 2 362.474 0.162 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)c1 ZINC001197319700 1208152504 /nfs/dbraw/zinc/15/25/04/1208152504.db2.gz PRAODKRYSXHKBL-QZTJIDSGSA-N 2 2 362.474 0.162 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197723338 1208190573 /nfs/dbraw/zinc/19/05/73/1208190573.db2.gz GGQOPGPKWOVOLZ-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001197723338 1208190577 /nfs/dbraw/zinc/19/05/77/1208190577.db2.gz GGQOPGPKWOVOLZ-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197751913 1208193506 /nfs/dbraw/zinc/19/35/06/1208193506.db2.gz DWKGHVLHYHGFGF-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197751913 1208193509 /nfs/dbraw/zinc/19/35/09/1208193509.db2.gz DWKGHVLHYHGFGF-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197840957 1208199055 /nfs/dbraw/zinc/19/90/55/1208199055.db2.gz DOZXFBFXIUQPNJ-SJLPKXTDSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197840957 1208199058 /nfs/dbraw/zinc/19/90/58/1208199058.db2.gz DOZXFBFXIUQPNJ-SJLPKXTDSA-N 2 2 364.490 0.985 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1O ZINC001197826403 1208201898 /nfs/dbraw/zinc/20/18/98/1208201898.db2.gz VRLKNDZYCKMOAB-HZPDHXFCSA-N 2 2 371.428 0.864 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1O ZINC001197826403 1208201899 /nfs/dbraw/zinc/20/18/99/1208201899.db2.gz VRLKNDZYCKMOAB-HZPDHXFCSA-N 2 2 371.428 0.864 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046397 1208212505 /nfs/dbraw/zinc/21/25/05/1208212505.db2.gz CCEWVBSNUJQVCC-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046397 1208212507 /nfs/dbraw/zinc/21/25/07/1208212507.db2.gz CCEWVBSNUJQVCC-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046397 1208212510 /nfs/dbraw/zinc/21/25/10/1208212510.db2.gz CCEWVBSNUJQVCC-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001198046397 1208212511 /nfs/dbraw/zinc/21/25/11/1208212511.db2.gz CCEWVBSNUJQVCC-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048480 1208213384 /nfs/dbraw/zinc/21/33/84/1208213384.db2.gz WEDRDMSYZAXFBW-BRWVUGGUSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048480 1208213385 /nfs/dbraw/zinc/21/33/85/1208213385.db2.gz WEDRDMSYZAXFBW-BRWVUGGUSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048480 1208213388 /nfs/dbraw/zinc/21/33/88/1208213388.db2.gz WEDRDMSYZAXFBW-BRWVUGGUSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048480 1208213390 /nfs/dbraw/zinc/21/33/90/1208213390.db2.gz WEDRDMSYZAXFBW-BRWVUGGUSA-N 2 2 370.538 0.523 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC[C@@H]2CNC(=O)CO2)cc1 ZINC001198036338 1208216423 /nfs/dbraw/zinc/21/64/23/1208216423.db2.gz KOVOQSIFTUGKRC-KRWDZBQOSA-N 2 2 362.474 0.315 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC[C@@H]2CNC(=O)CO2)cc1 ZINC001198036338 1208216426 /nfs/dbraw/zinc/21/64/26/1208216426.db2.gz KOVOQSIFTUGKRC-KRWDZBQOSA-N 2 2 362.474 0.315 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)n2cc(N)c(=O)nc2N)cc1 ZINC001198042668 1208217160 /nfs/dbraw/zinc/21/71/60/1208217160.db2.gz ZHDWVRZFZINZIO-UHFFFAOYSA-N 2 2 358.446 0.722 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)n2cc(N)c(=O)nc2N)cc1 ZINC001198042668 1208217161 /nfs/dbraw/zinc/21/71/61/1208217161.db2.gz ZHDWVRZFZINZIO-UHFFFAOYSA-N 2 2 358.446 0.722 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001198292134 1208235369 /nfs/dbraw/zinc/23/53/69/1208235369.db2.gz JHPJWPNWQGIZAS-KZNAEPCWSA-N 2 2 358.442 0.248 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001198292134 1208235371 /nfs/dbraw/zinc/23/53/71/1208235371.db2.gz JHPJWPNWQGIZAS-KZNAEPCWSA-N 2 2 358.442 0.248 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699504 1208280005 /nfs/dbraw/zinc/28/00/05/1208280005.db2.gz UDSJKQLDCCOCCL-RCCFBDPRSA-N 2 2 371.522 0.179 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198688571 1208283108 /nfs/dbraw/zinc/28/31/08/1208283108.db2.gz HWPOMYCCLUJTGA-CGTJXYLNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198688571 1208283112 /nfs/dbraw/zinc/28/31/12/1208283112.db2.gz HWPOMYCCLUJTGA-CGTJXYLNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199024101 1208310168 /nfs/dbraw/zinc/31/01/68/1208310168.db2.gz ZRWZGZKQYNOJOW-CGTJXYLNSA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199024101 1208310172 /nfs/dbraw/zinc/31/01/72/1208310172.db2.gz ZRWZGZKQYNOJOW-CGTJXYLNSA-N 2 2 361.490 0.883 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103859 1208318357 /nfs/dbraw/zinc/31/83/57/1208318357.db2.gz DDPNSTCVOOUNLH-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103859 1208318360 /nfs/dbraw/zinc/31/83/60/1208318360.db2.gz DDPNSTCVOOUNLH-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103859 1208318361 /nfs/dbraw/zinc/31/83/61/1208318361.db2.gz DDPNSTCVOOUNLH-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371553 1208344508 /nfs/dbraw/zinc/34/45/08/1208344508.db2.gz WPVOZDAQGSBMIE-HNNXBMFYSA-N 2 2 357.414 0.929 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575401 1208481271 /nfs/dbraw/zinc/48/12/71/1208481271.db2.gz KHPNUPVVXCLSMI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575401 1208481284 /nfs/dbraw/zinc/48/12/84/1208481284.db2.gz KHPNUPVVXCLSMI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110575401 1208481295 /nfs/dbraw/zinc/48/12/95/1208481295.db2.gz KHPNUPVVXCLSMI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110575401 1208481301 /nfs/dbraw/zinc/48/13/01/1208481301.db2.gz KHPNUPVVXCLSMI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP Cc1cnc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001490491979 1209360026 /nfs/dbraw/zinc/36/00/26/1209360026.db2.gz ABHGYGJWRGOLMF-SJLPKXTDSA-N 2 2 360.506 0.359 20 0 FCADLP Cc1cnc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001490491979 1209360029 /nfs/dbraw/zinc/36/00/29/1209360029.db2.gz ABHGYGJWRGOLMF-SJLPKXTDSA-N 2 2 360.506 0.359 20 0 FCADLP O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220924069 1225143312 /nfs/dbraw/zinc/14/33/12/1225143312.db2.gz NIUITBMLEQOJMJ-JXFKEZNVSA-N 2 2 374.460 0.746 20 0 FCADLP C[C@H](CC[NH+]1CC[C@@H](N2CCOC2=O)C1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437486 1209549840 /nfs/dbraw/zinc/54/98/40/1209549840.db2.gz YKYDBGALGBLKLQ-BZUAXINKSA-N 2 2 366.462 0.818 20 0 FCADLP C[C@H](CC[NH+]1CC[C@@H](N2CCOC2=O)C1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437486 1209549841 /nfs/dbraw/zinc/54/98/41/1209549841.db2.gz YKYDBGALGBLKLQ-BZUAXINKSA-N 2 2 366.462 0.818 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664992 1209592139 /nfs/dbraw/zinc/59/21/39/1209592139.db2.gz HEOUBBYERXRXKZ-DGAVXFQQSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664992 1209592147 /nfs/dbraw/zinc/59/21/47/1209592147.db2.gz HEOUBBYERXRXKZ-DGAVXFQQSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670858 1209596870 /nfs/dbraw/zinc/59/68/70/1209596870.db2.gz HGDLDQHYHBJPQR-NGFQHRJXSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670858 1209596876 /nfs/dbraw/zinc/59/68/76/1209596876.db2.gz HGDLDQHYHBJPQR-NGFQHRJXSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110670858 1209596883 /nfs/dbraw/zinc/59/68/83/1209596883.db2.gz HGDLDQHYHBJPQR-NGFQHRJXSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110670858 1209596887 /nfs/dbraw/zinc/59/68/87/1209596887.db2.gz HGDLDQHYHBJPQR-NGFQHRJXSA-N 2 2 365.478 0.036 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000853606754 1209601089 /nfs/dbraw/zinc/60/10/89/1209601089.db2.gz RVCKTBWHSREPBD-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000853606754 1209601092 /nfs/dbraw/zinc/60/10/92/1209601092.db2.gz RVCKTBWHSREPBD-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001110714808 1209734249 /nfs/dbraw/zinc/73/42/49/1209734249.db2.gz HXAAZVBJBJORAX-TUVASFSCSA-N 2 2 365.478 0.036 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001110714808 1209734253 /nfs/dbraw/zinc/73/42/53/1209734253.db2.gz HXAAZVBJBJORAX-TUVASFSCSA-N 2 2 365.478 0.036 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810208 1209891360 /nfs/dbraw/zinc/89/13/60/1209891360.db2.gz KTXUDWXOPIZOPP-LTZCYQRMSA-N 2 2 370.413 0.253 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810208 1209891361 /nfs/dbraw/zinc/89/13/61/1209891361.db2.gz KTXUDWXOPIZOPP-LTZCYQRMSA-N 2 2 370.413 0.253 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000863830940 1209953503 /nfs/dbraw/zinc/95/35/03/1209953503.db2.gz BQPDAGFSLLCVGW-HNNXBMFYSA-N 2 2 370.494 0.158 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000863830940 1209953507 /nfs/dbraw/zinc/95/35/07/1209953507.db2.gz BQPDAGFSLLCVGW-HNNXBMFYSA-N 2 2 370.494 0.158 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989436 1225177133 /nfs/dbraw/zinc/17/71/33/1225177133.db2.gz WOUJSYJRSJVXTO-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989436 1225177136 /nfs/dbraw/zinc/17/71/36/1225177136.db2.gz WOUJSYJRSJVXTO-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000866768147 1210005565 /nfs/dbraw/zinc/00/55/65/1210005565.db2.gz PLXRRPSDANFJLC-ZDMMHOJSSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000866768147 1210005568 /nfs/dbraw/zinc/00/55/68/1210005568.db2.gz PLXRRPSDANFJLC-ZDMMHOJSSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868218089 1210044740 /nfs/dbraw/zinc/04/47/40/1210044740.db2.gz ZKGKYQOSIXCNFY-QZTJIDSGSA-N 2 2 374.489 0.210 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)CC1 ZINC000868368500 1210055646 /nfs/dbraw/zinc/05/56/46/1210055646.db2.gz HDTPMYYZUMYMES-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)CC1 ZINC000868368500 1210055649 /nfs/dbraw/zinc/05/56/49/1210055649.db2.gz HDTPMYYZUMYMES-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868394510 1210061631 /nfs/dbraw/zinc/06/16/31/1210061631.db2.gz URPRMIFOFVRGHQ-HWKANZROSA-N 2 2 362.474 0.917 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872277564 1210186229 /nfs/dbraw/zinc/18/62/29/1210186229.db2.gz ZPLVGMNBKOZSML-HIFRSBDPSA-N 2 2 357.462 0.920 20 0 FCADLP COc1cncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000873818139 1210261524 /nfs/dbraw/zinc/26/15/24/1210261524.db2.gz XDIUKZKKMJTNTN-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COc1cncc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000873818139 1210261527 /nfs/dbraw/zinc/26/15/27/1210261527.db2.gz XDIUKZKKMJTNTN-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COc1cncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000873827078 1210262945 /nfs/dbraw/zinc/26/29/45/1210262945.db2.gz XNYGQVWURHQMJY-CYBMUJFWSA-N 2 2 361.446 0.313 20 0 FCADLP COc1cncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000873827078 1210262953 /nfs/dbraw/zinc/26/29/53/1210262953.db2.gz XNYGQVWURHQMJY-CYBMUJFWSA-N 2 2 361.446 0.313 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[NH+]1CCOCC1 ZINC000875243532 1210356358 /nfs/dbraw/zinc/35/63/58/1210356358.db2.gz WBZWWEGWDTYRKY-DLBZAZTESA-N 2 2 368.522 0.849 20 0 FCADLP COCCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000875294514 1210361488 /nfs/dbraw/zinc/36/14/88/1210361488.db2.gz GJJHMJGXPSMMKW-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP COCCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000875294514 1210361489 /nfs/dbraw/zinc/36/14/89/1210361489.db2.gz GJJHMJGXPSMMKW-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000877225905 1210440109 /nfs/dbraw/zinc/44/01/09/1210440109.db2.gz XPWLLKIDFGTWBF-MRXNPFEDSA-N 2 2 358.486 0.587 20 0 FCADLP CN1C(=O)[C@H]2C[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535239 1210487655 /nfs/dbraw/zinc/48/76/55/1210487655.db2.gz KFSBZZCVHOXWSI-KURKYZTESA-N 2 2 357.454 0.824 20 0 FCADLP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535239 1210487672 /nfs/dbraw/zinc/48/76/72/1210487672.db2.gz KFSBZZCVHOXWSI-KURKYZTESA-N 2 2 357.454 0.824 20 0 FCADLP CN1C(=O)[C@H]2C[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535239 1210487675 /nfs/dbraw/zinc/48/76/75/1210487675.db2.gz KFSBZZCVHOXWSI-KURKYZTESA-N 2 2 357.454 0.824 20 0 FCADLP CN1C(=O)[C@H]2C[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535239 1210487678 /nfs/dbraw/zinc/48/76/78/1210487678.db2.gz KFSBZZCVHOXWSI-KURKYZTESA-N 2 2 357.454 0.824 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001221087439 1225216323 /nfs/dbraw/zinc/21/63/23/1225216323.db2.gz LGRHHVXORPMQHK-FGTMMUONSA-N 2 2 357.458 0.347 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001221087439 1225216328 /nfs/dbraw/zinc/21/63/28/1225216328.db2.gz LGRHHVXORPMQHK-FGTMMUONSA-N 2 2 357.458 0.347 20 0 FCADLP CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]2C1 ZINC000880310900 1210526531 /nfs/dbraw/zinc/52/65/31/1210526531.db2.gz OAEPUAVPQVYWBL-NXHRZFHOSA-N 2 2 371.485 0.529 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095680 1225221189 /nfs/dbraw/zinc/22/11/89/1225221189.db2.gz HMVBXFOUPHFHRU-SQNIBIBYSA-N 2 2 365.474 0.114 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095680 1225221193 /nfs/dbraw/zinc/22/11/93/1225221193.db2.gz HMVBXFOUPHFHRU-SQNIBIBYSA-N 2 2 365.474 0.114 20 0 FCADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)NCC(=O)N1CCCC1 ZINC000880571915 1210551826 /nfs/dbraw/zinc/55/18/26/1210551826.db2.gz VTLKXMDPWVBIJE-KRWDZBQOSA-N 2 2 355.442 0.953 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221096647 1225221882 /nfs/dbraw/zinc/22/18/82/1225221882.db2.gz WDCRQMUFQIFSDV-SQNIBIBYSA-N 2 2 363.506 0.592 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)no1 ZINC000883103169 1210653137 /nfs/dbraw/zinc/65/31/37/1210653137.db2.gz NJZKWMHUXLYBBS-OAHLLOKOSA-N 2 2 372.473 0.919 20 0 FCADLP C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cccc(OCC[NH+](C)C)c1 ZINC000883303160 1210661083 /nfs/dbraw/zinc/66/10/83/1210661083.db2.gz QLYWXBZHAIXHKR-CYBMUJFWSA-N 2 2 358.446 0.813 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417292 1210666584 /nfs/dbraw/zinc/66/65/84/1210666584.db2.gz VTCZQBICGTWJRL-IRXDYDNUSA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417292 1210666590 /nfs/dbraw/zinc/66/65/90/1210666590.db2.gz VTCZQBICGTWJRL-IRXDYDNUSA-N 2 2 364.490 0.898 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000883588033 1210672664 /nfs/dbraw/zinc/67/26/64/1210672664.db2.gz ZBKYTNLQXCTLAN-HNNXBMFYSA-N 2 2 374.489 0.713 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000883638356 1210677177 /nfs/dbraw/zinc/67/71/77/1210677177.db2.gz KEAZYTMTVXNHGT-GOSISDBHSA-N 2 2 358.486 0.700 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884307830 1210729010 /nfs/dbraw/zinc/72/90/10/1210729010.db2.gz WELPBEMCWAUPNQ-QGZVFWFLSA-N 2 2 371.485 0.708 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884307830 1210729015 /nfs/dbraw/zinc/72/90/15/1210729015.db2.gz WELPBEMCWAUPNQ-QGZVFWFLSA-N 2 2 371.485 0.708 20 0 FCADLP CC1(C)[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1[NH3+] ZINC000884360226 1210731663 /nfs/dbraw/zinc/73/16/63/1210731663.db2.gz XDWBJFPIBSYXHS-LSDHHAIUSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)[nH+]c12 ZINC000884492240 1210738954 /nfs/dbraw/zinc/73/89/54/1210738954.db2.gz PWAABKKWHISHSM-HOTGVXAUSA-N 2 2 355.442 0.654 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000884520481 1210744944 /nfs/dbraw/zinc/74/49/44/1210744944.db2.gz WPQURLLHESKCIH-LBPRGKRZSA-N 2 2 370.400 0.684 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000884678504 1210778128 /nfs/dbraw/zinc/77/81/28/1210778128.db2.gz DKKYUVYSFLOHMM-QZTJIDSGSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000884678504 1210778135 /nfs/dbraw/zinc/77/81/35/1210778135.db2.gz DKKYUVYSFLOHMM-QZTJIDSGSA-N 2 2 374.485 0.166 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000884677686 1210778269 /nfs/dbraw/zinc/77/82/69/1210778269.db2.gz ALWCYDWSHBUPEW-IRXDYDNUSA-N 2 2 362.449 0.899 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706597 1210784691 /nfs/dbraw/zinc/78/46/91/1210784691.db2.gz IHNBHGPAWWLVMU-QZTJIDSGSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706597 1210784694 /nfs/dbraw/zinc/78/46/94/1210784694.db2.gz IHNBHGPAWWLVMU-QZTJIDSGSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc(C)[nH+]1 ZINC000884727205 1210790698 /nfs/dbraw/zinc/79/06/98/1210790698.db2.gz OHKRIMOXODDZSG-MRXNPFEDSA-N 2 2 360.458 0.590 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000884797145 1210797336 /nfs/dbraw/zinc/79/73/36/1210797336.db2.gz OVZJCDDPNYNANM-MRXNPFEDSA-N 2 2 369.469 0.929 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000884983336 1210806815 /nfs/dbraw/zinc/80/68/15/1210806815.db2.gz ILZDKYCOENHRJH-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000884983336 1210806817 /nfs/dbraw/zinc/80/68/17/1210806817.db2.gz ILZDKYCOENHRJH-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885004975 1210807559 /nfs/dbraw/zinc/80/75/59/1210807559.db2.gz PYZVFKPBYKJYNI-NOVWEMISSA-N 2 2 356.470 0.936 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885004975 1210807561 /nfs/dbraw/zinc/80/75/61/1210807561.db2.gz PYZVFKPBYKJYNI-NOVWEMISSA-N 2 2 356.470 0.936 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000885019956 1210809191 /nfs/dbraw/zinc/80/91/91/1210809191.db2.gz CAEGEKSPKFICRX-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000885019956 1210809193 /nfs/dbraw/zinc/80/91/93/1210809193.db2.gz CAEGEKSPKFICRX-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000885020463 1210809425 /nfs/dbraw/zinc/80/94/25/1210809425.db2.gz KKDIXCASGMCRKI-SFHVURJKSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000885020463 1210809429 /nfs/dbraw/zinc/80/94/29/1210809429.db2.gz KKDIXCASGMCRKI-SFHVURJKSA-N 2 2 374.485 0.262 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000885022128 1210809653 /nfs/dbraw/zinc/80/96/53/1210809653.db2.gz KSXWIOOQNHJWMJ-SFHVURJKSA-N 2 2 374.485 0.646 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000885022128 1210809655 /nfs/dbraw/zinc/80/96/55/1210809655.db2.gz KSXWIOOQNHJWMJ-SFHVURJKSA-N 2 2 374.485 0.646 20 0 FCADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000885112035 1210811282 /nfs/dbraw/zinc/81/12/82/1210811282.db2.gz CZPLTMSXNYBLCR-QGZVFWFLSA-N 2 2 367.453 0.764 20 0 FCADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000885155792 1210813516 /nfs/dbraw/zinc/81/35/16/1210813516.db2.gz BHXKNKMZVDPZDE-IRXDYDNUSA-N 2 2 367.453 0.946 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000885161288 1210814273 /nfs/dbraw/zinc/81/42/73/1210814273.db2.gz DERHWFVWCCNEGJ-KRWDZBQOSA-N 2 2 355.442 0.562 20 0 FCADLP CN(C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC[NH2+]CC1 ZINC000885227802 1210816423 /nfs/dbraw/zinc/81/64/23/1210816423.db2.gz NCQCYLQNGLFWFE-QGZVFWFLSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000887133034 1210849401 /nfs/dbraw/zinc/84/94/01/1210849401.db2.gz RWPQQKYPSYIINY-INIZCTEOSA-N 2 2 360.458 0.958 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000887133034 1210849403 /nfs/dbraw/zinc/84/94/03/1210849403.db2.gz RWPQQKYPSYIINY-INIZCTEOSA-N 2 2 360.458 0.958 20 0 FCADLP CO[C@H]1CCN2C(=O)N(C3CC[NH+](C4CC[NH+](C)CC4)CC3)C(=O)[C@H]2C1 ZINC000349355160 1210868966 /nfs/dbraw/zinc/86/89/66/1210868966.db2.gz ZRUDXVPDCDGJTG-DLBZAZTESA-N 2 2 364.490 0.987 20 0 FCADLP CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+](C)CC1 ZINC000888988029 1210931358 /nfs/dbraw/zinc/93/13/58/1210931358.db2.gz FWQZPFVMSJWRJH-HXUWFJFHSA-N 2 2 374.529 0.890 20 0 FCADLP CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+](C)CC1 ZINC000888988029 1210931360 /nfs/dbraw/zinc/93/13/60/1210931360.db2.gz FWQZPFVMSJWRJH-HXUWFJFHSA-N 2 2 374.529 0.890 20 0 FCADLP COC(=O)c1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000889068544 1210932912 /nfs/dbraw/zinc/93/29/12/1210932912.db2.gz CJWGQPRJONIIKW-UHFFFAOYSA-N 2 2 366.466 0.696 20 0 FCADLP COC(=O)c1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000889068544 1210932920 /nfs/dbraw/zinc/93/29/20/1210932920.db2.gz CJWGQPRJONIIKW-UHFFFAOYSA-N 2 2 366.466 0.696 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3[C@H]1CCC[N@@H+]3CCO)n2C ZINC000889760410 1210948026 /nfs/dbraw/zinc/94/80/26/1210948026.db2.gz FYWFYQHYICFVSQ-LSDHHAIUSA-N 2 2 372.473 0.706 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110842901 1210990720 /nfs/dbraw/zinc/99/07/20/1210990720.db2.gz XWICTOLOXJKSML-VQHPVUNQSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110842901 1210990722 /nfs/dbraw/zinc/99/07/22/1210990722.db2.gz XWICTOLOXJKSML-VQHPVUNQSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)cc1=O ZINC001110875630 1211006766 /nfs/dbraw/zinc/00/67/66/1211006766.db2.gz HLKHFPYBOJEFJH-ZACQAIPSSA-N 2 2 355.442 0.894 20 0 FCADLP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCn2cc[nH+]c2)C3)cc1=O ZINC001110875630 1211006768 /nfs/dbraw/zinc/00/67/68/1211006768.db2.gz HLKHFPYBOJEFJH-ZACQAIPSSA-N 2 2 355.442 0.894 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)CC1 ZINC001274370176 1211039044 /nfs/dbraw/zinc/03/90/44/1211039044.db2.gz NWUNEYXFHSXSJR-UHFFFAOYSA-N 2 2 359.474 0.069 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)CC1 ZINC001274513356 1211071663 /nfs/dbraw/zinc/07/16/63/1211071663.db2.gz AZZUXFMZWLCJAQ-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)CC1 ZINC001274513356 1211071668 /nfs/dbraw/zinc/07/16/68/1211071668.db2.gz AZZUXFMZWLCJAQ-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)CC1 ZINC001274513356 1211071674 /nfs/dbraw/zinc/07/16/74/1211071674.db2.gz AZZUXFMZWLCJAQ-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)CC1 ZINC001274513356 1211071679 /nfs/dbraw/zinc/07/16/79/1211071679.db2.gz AZZUXFMZWLCJAQ-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cc[nH+]c(N)c1)C2 ZINC001274948190 1211150623 /nfs/dbraw/zinc/15/06/23/1211150623.db2.gz VBOCUXJFVWQBEA-IBGZPJMESA-N 2 2 359.474 0.609 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cc[nH+]c(N)c1)C2 ZINC001274948190 1211150625 /nfs/dbraw/zinc/15/06/25/1211150625.db2.gz VBOCUXJFVWQBEA-IBGZPJMESA-N 2 2 359.474 0.609 20 0 FCADLP COCCOC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001275171954 1211189028 /nfs/dbraw/zinc/18/90/28/1211189028.db2.gz PLUOVEDIWBVFTF-PKOBYXMFSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001275171954 1211189024 /nfs/dbraw/zinc/18/90/24/1211189024.db2.gz PLUOVEDIWBVFTF-PKOBYXMFSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001275171954 1211189026 /nfs/dbraw/zinc/18/90/26/1211189026.db2.gz PLUOVEDIWBVFTF-PKOBYXMFSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001275171954 1211189027 /nfs/dbraw/zinc/18/90/27/1211189027.db2.gz PLUOVEDIWBVFTF-PKOBYXMFSA-N 2 2 368.522 0.167 20 0 FCADLP Cn1cccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275190168 1211194181 /nfs/dbraw/zinc/19/41/81/1211194181.db2.gz CHNPGLAMQOZCHV-IBGZPJMESA-N 2 2 357.458 0.973 20 0 FCADLP Cn1cccc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275190168 1211194182 /nfs/dbraw/zinc/19/41/82/1211194182.db2.gz CHNPGLAMQOZCHV-IBGZPJMESA-N 2 2 357.458 0.973 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](CO)Cc1ccc(OCc2ccccc2)cc1 ZINC001221221487 1225272589 /nfs/dbraw/zinc/27/25/89/1225272589.db2.gz ORSGOMYCJLSXGI-IHPCNDPISA-N 2 2 369.465 0.832 20 0 FCADLP Cn1cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)cn1 ZINC001275302965 1211212749 /nfs/dbraw/zinc/21/27/49/1211212749.db2.gz YIVXHPUAGUMFLD-GOSISDBHSA-N 2 2 358.446 0.368 20 0 FCADLP Cn1cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)cn1 ZINC001275302965 1211212752 /nfs/dbraw/zinc/21/27/52/1211212752.db2.gz YIVXHPUAGUMFLD-GOSISDBHSA-N 2 2 358.446 0.368 20 0 FCADLP C[C@H]1CC(C[NH+]2CC3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C[C@H](C)O1 ZINC001275313418 1211213880 /nfs/dbraw/zinc/21/38/80/1211213880.db2.gz DRIXAALZLYHGBT-HOTGVXAUSA-N 2 2 362.474 1.000 20 0 FCADLP Cn1cnc(C[N@@H+]2CCC[C@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)c1 ZINC001275362884 1211223076 /nfs/dbraw/zinc/22/30/76/1211223076.db2.gz MXGZBTQANKZXBE-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1cnc(C[N@H+]2CCC[C@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)c1 ZINC001275362884 1211223080 /nfs/dbraw/zinc/22/30/80/1211223080.db2.gz MXGZBTQANKZXBE-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392202 1211230458 /nfs/dbraw/zinc/23/04/58/1211230458.db2.gz GWQUTKXXCLGOBT-KSSFIOAISA-N 2 2 361.446 0.334 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392202 1211230461 /nfs/dbraw/zinc/23/04/61/1211230461.db2.gz GWQUTKXXCLGOBT-KSSFIOAISA-N 2 2 361.446 0.334 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275456246 1211242654 /nfs/dbraw/zinc/24/26/54/1211242654.db2.gz XOPTXKAEZHIYSE-SFHVURJKSA-N 2 2 354.414 0.288 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275456246 1211242657 /nfs/dbraw/zinc/24/26/57/1211242657.db2.gz XOPTXKAEZHIYSE-SFHVURJKSA-N 2 2 354.414 0.288 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275508048 1211252079 /nfs/dbraw/zinc/25/20/79/1211252079.db2.gz NTRSVNZLCBRSPI-IBGZPJMESA-N 2 2 371.522 0.746 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275508048 1211252081 /nfs/dbraw/zinc/25/20/81/1211252081.db2.gz NTRSVNZLCBRSPI-IBGZPJMESA-N 2 2 371.522 0.746 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555226 1211255983 /nfs/dbraw/zinc/25/59/83/1211255983.db2.gz PFMHLVXLBYMWME-IBGZPJMESA-N 3 2 361.490 0.565 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275555226 1211255986 /nfs/dbraw/zinc/25/59/86/1211255986.db2.gz PFMHLVXLBYMWME-IBGZPJMESA-N 3 2 361.490 0.565 20 0 FCADLP COC(=O)[C@@H](C)CN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742334 1211279781 /nfs/dbraw/zinc/27/97/81/1211279781.db2.gz CBKIULCDTAEEOR-HNNXBMFYSA-N 2 2 367.490 0.441 20 0 FCADLP Cc1noc(CN2CC3(C[NH+](CC4(C)CC[NH+](C)CC4)C3)OCC2=O)n1 ZINC001275833437 1211293760 /nfs/dbraw/zinc/29/37/60/1211293760.db2.gz GGCMTCCQDPZLGD-UHFFFAOYSA-N 2 2 363.462 0.523 20 0 FCADLP CNC(=O)C(C)(C)N1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833779 1211293917 /nfs/dbraw/zinc/29/39/17/1211293917.db2.gz PWSHWUGPXZAZQS-UHFFFAOYSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@@H+]1CCC[C@@H](CN2C[C@@]3(F)C(=O)N(CCn4cc[nH+]c4)C[C@@]3(F)C2)C1 ZINC001275879163 1211305707 /nfs/dbraw/zinc/30/57/07/1211305707.db2.gz OJKGBVBSVFJPPQ-BPQIPLTHSA-N 2 2 367.444 0.799 20 0 FCADLP C[N@H+]1CCC[C@@H](CN2C[C@@]3(F)C(=O)N(CCn4cc[nH+]c4)C[C@@]3(F)C2)C1 ZINC001275879163 1211305710 /nfs/dbraw/zinc/30/57/10/1211305710.db2.gz OJKGBVBSVFJPPQ-BPQIPLTHSA-N 2 2 367.444 0.799 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001221256748 1225282854 /nfs/dbraw/zinc/28/28/54/1225282854.db2.gz KTBJXQCYQMCVBE-HOTGVXAUSA-N 3 2 367.494 0.506 20 0 FCADLP Cn1cc2c(cccc2C[NH+]2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001276193029 1211377945 /nfs/dbraw/zinc/37/79/45/1211377945.db2.gz VEFRIYOUHFKRSZ-UHFFFAOYSA-N 2 2 357.458 0.548 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000924676738 1211476877 /nfs/dbraw/zinc/47/68/77/1211476877.db2.gz VGFYATUEYQVPGN-UHFFFAOYSA-N 2 2 365.478 0.638 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn(C)n1 ZINC000925395135 1211497892 /nfs/dbraw/zinc/49/78/92/1211497892.db2.gz DGYMNPKMWKHNBF-CABCVRRESA-N 2 2 372.477 0.761 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000925581016 1211502172 /nfs/dbraw/zinc/50/21/72/1211502172.db2.gz UYUVOAAESRPDSK-GOSISDBHSA-N 2 2 368.522 0.851 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000925612980 1211505197 /nfs/dbraw/zinc/50/51/97/1211505197.db2.gz PDESXJGABWENNS-ROUUACIJSA-N 2 2 368.522 0.994 20 0 FCADLP CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975776 1211512489 /nfs/dbraw/zinc/51/24/89/1211512489.db2.gz IOHLNFSFVAKBOJ-SJORKVTESA-N 2 2 365.522 0.807 20 0 FCADLP CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975776 1211512494 /nfs/dbraw/zinc/51/24/94/1211512494.db2.gz IOHLNFSFVAKBOJ-SJORKVTESA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000926378233 1211542527 /nfs/dbraw/zinc/54/25/27/1211542527.db2.gz NPBFWVOYPXUQCZ-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000926378233 1211542531 /nfs/dbraw/zinc/54/25/31/1211542531.db2.gz NPBFWVOYPXUQCZ-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)[nH+]1 ZINC000929155502 1211619542 /nfs/dbraw/zinc/61/95/42/1211619542.db2.gz GADMODSNPJGSNE-CQSZACIVSA-N 2 2 359.430 0.930 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000929298973 1211628290 /nfs/dbraw/zinc/62/82/90/1211628290.db2.gz YKTCUYNBAMHTOR-MRXNPFEDSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000929298973 1211628291 /nfs/dbraw/zinc/62/82/91/1211628291.db2.gz YKTCUYNBAMHTOR-MRXNPFEDSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001110976669 1211656544 /nfs/dbraw/zinc/65/65/44/1211656544.db2.gz RMLKSTOYCXJXCH-PILAGYSTSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001110976669 1211656550 /nfs/dbraw/zinc/65/65/50/1211656550.db2.gz RMLKSTOYCXJXCH-PILAGYSTSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000930171796 1211693659 /nfs/dbraw/zinc/69/36/59/1211693659.db2.gz VQBICYVXNMGVDN-NVXWUHKLSA-N 2 2 373.501 0.414 20 0 FCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000930171796 1211693660 /nfs/dbraw/zinc/69/36/60/1211693660.db2.gz VQBICYVXNMGVDN-NVXWUHKLSA-N 2 2 373.501 0.414 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110991642 1211707927 /nfs/dbraw/zinc/70/79/27/1211707927.db2.gz AHPVRBPMIQHOJX-HGTKMLMNSA-N 2 2 367.494 0.140 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110991642 1211707928 /nfs/dbraw/zinc/70/79/28/1211707928.db2.gz AHPVRBPMIQHOJX-HGTKMLMNSA-N 2 2 367.494 0.140 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000931484981 1211757571 /nfs/dbraw/zinc/75/75/71/1211757571.db2.gz SHRRPDAQODLYLN-UHFFFAOYSA-N 2 2 374.485 0.906 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001111017940 1211773882 /nfs/dbraw/zinc/77/38/82/1211773882.db2.gz HFGWIHZQGWSDPX-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001111017940 1211773887 /nfs/dbraw/zinc/77/38/87/1211773887.db2.gz HFGWIHZQGWSDPX-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021269 1211788092 /nfs/dbraw/zinc/78/80/92/1211788092.db2.gz QQFXGFPPQSMZGN-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021269 1211788095 /nfs/dbraw/zinc/78/80/95/1211788095.db2.gz QQFXGFPPQSMZGN-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021269 1211788097 /nfs/dbraw/zinc/78/80/97/1211788097.db2.gz QQFXGFPPQSMZGN-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111021269 1211788099 /nfs/dbraw/zinc/78/80/99/1211788099.db2.gz QQFXGFPPQSMZGN-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001111022915 1211795926 /nfs/dbraw/zinc/79/59/26/1211795926.db2.gz YQWMKGIXVAZGOT-DDBAPUKQSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001111022915 1211795928 /nfs/dbraw/zinc/79/59/28/1211795928.db2.gz YQWMKGIXVAZGOT-DDBAPUKQSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)C1 ZINC001111022915 1211795929 /nfs/dbraw/zinc/79/59/29/1211795929.db2.gz YQWMKGIXVAZGOT-DDBAPUKQSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)C1 ZINC001111022915 1211795931 /nfs/dbraw/zinc/79/59/31/1211795931.db2.gz YQWMKGIXVAZGOT-DDBAPUKQSA-N 2 2 362.518 0.966 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111026915 1211800333 /nfs/dbraw/zinc/80/03/33/1211800333.db2.gz ZWKPYALTTVNIFF-AHCXZYCDSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111026915 1211800335 /nfs/dbraw/zinc/80/03/35/1211800335.db2.gz ZWKPYALTTVNIFF-AHCXZYCDSA-N 2 2 373.501 0.954 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001111169413 1211910077 /nfs/dbraw/zinc/91/00/77/1211910077.db2.gz SESVAJCEBYRWJC-TWMKSMIVSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772607 1211986674 /nfs/dbraw/zinc/98/66/74/1211986674.db2.gz XEHNTUVFBUVIRT-JWDQPFGJSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772607 1211986687 /nfs/dbraw/zinc/98/66/87/1211986687.db2.gz XEHNTUVFBUVIRT-JWDQPFGJSA-N 2 2 359.474 0.747 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)CCC1 ZINC000968605359 1212046073 /nfs/dbraw/zinc/04/60/73/1212046073.db2.gz VHZODEARSCYAAA-CVEARBPZSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000948116414 1212134937 /nfs/dbraw/zinc/13/49/37/1212134937.db2.gz LDELZIWTUVYPGQ-XYPHTWIQSA-N 2 2 371.441 0.242 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000948116414 1212134940 /nfs/dbraw/zinc/13/49/40/1212134940.db2.gz LDELZIWTUVYPGQ-XYPHTWIQSA-N 2 2 371.441 0.242 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)N2CCC2)O1 ZINC000968914570 1212177896 /nfs/dbraw/zinc/17/78/96/1212177896.db2.gz XCZNLIQTHBIXCH-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nccn3C)CC2)O1 ZINC000948542103 1212196815 /nfs/dbraw/zinc/19/68/15/1212196815.db2.gz MUUMZUZSDIWMGS-IXDOHACOSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nccn3C)CC2)O1 ZINC000948542103 1212196817 /nfs/dbraw/zinc/19/68/17/1212196817.db2.gz MUUMZUZSDIWMGS-IXDOHACOSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3nccn3C)CC2)O1 ZINC000948542103 1212196819 /nfs/dbraw/zinc/19/68/19/1212196819.db2.gz MUUMZUZSDIWMGS-IXDOHACOSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nccn3C)CC2)O1 ZINC000948542103 1212196822 /nfs/dbraw/zinc/19/68/22/1212196822.db2.gz MUUMZUZSDIWMGS-IXDOHACOSA-N 2 2 363.506 0.952 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000948963348 1212269802 /nfs/dbraw/zinc/26/98/02/1212269802.db2.gz YKCWKDPACRQPIU-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000948963348 1212269803 /nfs/dbraw/zinc/26/98/03/1212269803.db2.gz YKCWKDPACRQPIU-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000948963348 1212269805 /nfs/dbraw/zinc/26/98/05/1212269805.db2.gz YKCWKDPACRQPIU-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000948963348 1212269806 /nfs/dbraw/zinc/26/98/06/1212269806.db2.gz YKCWKDPACRQPIU-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001221555634 1225365565 /nfs/dbraw/zinc/36/55/65/1225365565.db2.gz QEAABHVHUTUSJS-FGTMMUONSA-N 2 2 360.502 0.387 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001221555634 1225365566 /nfs/dbraw/zinc/36/55/66/1225365566.db2.gz QEAABHVHUTUSJS-FGTMMUONSA-N 2 2 360.502 0.387 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560984 1225368419 /nfs/dbraw/zinc/36/84/19/1225368419.db2.gz RYLWKVIVDRUACJ-QBPKDAKJSA-N 2 2 366.506 0.012 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560984 1225368427 /nfs/dbraw/zinc/36/84/27/1225368427.db2.gz RYLWKVIVDRUACJ-QBPKDAKJSA-N 2 2 366.506 0.012 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560984 1225368434 /nfs/dbraw/zinc/36/84/34/1225368434.db2.gz RYLWKVIVDRUACJ-QBPKDAKJSA-N 2 2 366.506 0.012 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560984 1225368440 /nfs/dbraw/zinc/36/84/40/1225368440.db2.gz RYLWKVIVDRUACJ-QBPKDAKJSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000949865247 1212476154 /nfs/dbraw/zinc/47/61/54/1212476154.db2.gz ZYLUAWXMFGKXPN-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1)[NH+]1CCCC1 ZINC000949893565 1212481618 /nfs/dbraw/zinc/48/16/18/1212481618.db2.gz BYGMBQLHOKTFLH-NUJGCVRESA-N 2 2 361.490 0.967 20 0 FCADLP 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Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001011262256 1213859455 /nfs/dbraw/zinc/85/94/55/1213859455.db2.gz CKPANEDSQMLWFQ-HUUCEWRRSA-N 2 2 359.474 0.679 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21)[NH+](C)C ZINC000960660813 1213875917 /nfs/dbraw/zinc/87/59/17/1213875917.db2.gz AZIRLLQKBSOGBK-SOUVJXGZSA-N 2 2 363.462 0.121 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001012564754 1213892790 /nfs/dbraw/zinc/89/27/90/1213892790.db2.gz QBSSLZWZLVQVKD-ARFHVFGLSA-N 2 2 359.474 0.536 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001012564754 1213892792 /nfs/dbraw/zinc/89/27/92/1213892792.db2.gz QBSSLZWZLVQVKD-ARFHVFGLSA-N 2 2 359.474 0.536 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cn2cc[nH+]c2)CC3)CC[N@@H+]1C ZINC001014306411 1213936893 /nfs/dbraw/zinc/93/68/93/1213936893.db2.gz QHZXRBBTWPZFCI-NNFUDEMPSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cn2cc[nH+]c2)CC3)CC[N@H+]1C ZINC001014306411 1213936898 /nfs/dbraw/zinc/93/68/98/1213936898.db2.gz QHZXRBBTWPZFCI-NNFUDEMPSA-N 2 2 359.474 0.863 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221818302 1225492635 /nfs/dbraw/zinc/49/26/35/1225492635.db2.gz PSMPDAZBQPHKII-GUDVDZBRSA-N 2 2 370.497 0.582 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221818302 1225492638 /nfs/dbraw/zinc/49/26/38/1225492638.db2.gz PSMPDAZBQPHKII-GUDVDZBRSA-N 2 2 370.497 0.582 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221818302 1225492641 /nfs/dbraw/zinc/49/26/41/1225492641.db2.gz PSMPDAZBQPHKII-GUDVDZBRSA-N 2 2 370.497 0.582 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001221818302 1225492644 /nfs/dbraw/zinc/49/26/44/1225492644.db2.gz PSMPDAZBQPHKII-GUDVDZBRSA-N 2 2 370.497 0.582 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001014926941 1213977617 /nfs/dbraw/zinc/97/76/17/1213977617.db2.gz XDJSBZDHGGBYQJ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001014926941 1213977624 /nfs/dbraw/zinc/97/76/24/1213977624.db2.gz XDJSBZDHGGBYQJ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001014926941 1213977627 /nfs/dbraw/zinc/97/76/27/1213977627.db2.gz XDJSBZDHGGBYQJ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)O1 ZINC001014926941 1213977629 /nfs/dbraw/zinc/97/76/29/1213977629.db2.gz XDJSBZDHGGBYQJ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](Cc2nnnn2C)CC3)CC[N@@H+]1C ZINC001016630164 1214024898 /nfs/dbraw/zinc/02/48/98/1214024898.db2.gz CAYMNUMKEYSWMU-ZNMIVQPWSA-N 2 2 361.494 0.411 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC23CC[NH+](Cc2nnnn2C)CC3)CC[N@H+]1C ZINC001016630164 1214024906 /nfs/dbraw/zinc/02/49/06/1214024906.db2.gz CAYMNUMKEYSWMU-ZNMIVQPWSA-N 2 2 361.494 0.411 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001017748978 1214143384 /nfs/dbraw/zinc/14/33/84/1214143384.db2.gz VJGCVVJMQURQSW-GVDBMIGSSA-N 2 2 371.485 0.750 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001017748978 1214143389 /nfs/dbraw/zinc/14/33/89/1214143389.db2.gz VJGCVVJMQURQSW-GVDBMIGSSA-N 2 2 371.485 0.750 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CCn2cc[nH+]c2)C3)CC[N@@H+]1C ZINC001019071575 1214191847 /nfs/dbraw/zinc/19/18/47/1214191847.db2.gz QHAYTYNYGOZZEV-HZPDHXFCSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CCn2cc[nH+]c2)C3)CC[N@H+]1C ZINC001019071575 1214191849 /nfs/dbraw/zinc/19/18/49/1214191849.db2.gz QHAYTYNYGOZZEV-HZPDHXFCSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)C1 ZINC001019147763 1214205173 /nfs/dbraw/zinc/20/51/73/1214205173.db2.gz DHZIMBWMKNHETH-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)C1 ZINC001019147763 1214205178 /nfs/dbraw/zinc/20/51/78/1214205178.db2.gz DHZIMBWMKNHETH-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001019455102 1214250065 /nfs/dbraw/zinc/25/00/65/1214250065.db2.gz GQZZJZVXPPWGIW-OAGGEKHMSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001019455102 1214250071 /nfs/dbraw/zinc/25/00/71/1214250071.db2.gz GQZZJZVXPPWGIW-OAGGEKHMSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC000961827329 1214318685 /nfs/dbraw/zinc/31/86/85/1214318685.db2.gz TZJSTFXDQOKQRN-RMWBKXBUSA-N 2 2 371.485 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC000961827329 1214318690 /nfs/dbraw/zinc/31/86/90/1214318690.db2.gz TZJSTFXDQOKQRN-RMWBKXBUSA-N 2 2 371.485 0.583 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC001020275038 1214326541 /nfs/dbraw/zinc/32/65/41/1214326541.db2.gz IEPSPEURVNFHPO-XZDPQHSOSA-N 2 2 370.457 0.834 20 0 FCADLP CCCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020288002 1214330037 /nfs/dbraw/zinc/33/00/37/1214330037.db2.gz VCTAIGZWLLMACD-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP CCCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020288002 1214330041 /nfs/dbraw/zinc/33/00/41/1214330041.db2.gz VCTAIGZWLLMACD-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221883483 1225522116 /nfs/dbraw/zinc/52/21/16/1225522116.db2.gz HOJHXZDNVXNAGO-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221883483 1225522122 /nfs/dbraw/zinc/52/21/22/1225522122.db2.gz HOJHXZDNVXNAGO-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC000961951060 1214374266 /nfs/dbraw/zinc/37/42/66/1214374266.db2.gz ZPICZRKOMCFNDB-UZVIJOLCSA-N 2 2 356.430 0.996 20 0 FCADLP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC000961951060 1214374267 /nfs/dbraw/zinc/37/42/67/1214374267.db2.gz ZPICZRKOMCFNDB-UZVIJOLCSA-N 2 2 356.430 0.996 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001039621794 1214417406 /nfs/dbraw/zinc/41/74/06/1214417406.db2.gz WRMXHCNZFRBLKL-KFWWJZLASA-N 2 2 358.450 0.581 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039626234 1214420656 /nfs/dbraw/zinc/42/06/56/1214420656.db2.gz UQOSYPUGKDVSKI-MIGQKNRLSA-N 2 2 370.461 0.581 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039626234 1214420660 /nfs/dbraw/zinc/42/06/60/1214420660.db2.gz UQOSYPUGKDVSKI-MIGQKNRLSA-N 2 2 370.461 0.581 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)CC2 ZINC001095934500 1214459196 /nfs/dbraw/zinc/45/91/96/1214459196.db2.gz QLCMNOVUCSGWRL-LMSBXDPUSA-N 2 2 369.473 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnnn2C2CC2)C1 ZINC000962323566 1214533891 /nfs/dbraw/zinc/53/38/91/1214533891.db2.gz KAZWXIKWNGKTGQ-BBNOBNGHSA-N 2 2 370.461 0.530 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001041065440 1214684432 /nfs/dbraw/zinc/68/44/32/1214684432.db2.gz RYQIDDNMAJHDGA-IXDOHACOSA-N 2 2 361.490 0.942 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001041065440 1214684436 /nfs/dbraw/zinc/68/44/36/1214684436.db2.gz RYQIDDNMAJHDGA-IXDOHACOSA-N 2 2 361.490 0.942 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)nc(C)[nH+]1 ZINC001041101692 1214700834 /nfs/dbraw/zinc/70/08/34/1214700834.db2.gz MYAWYRWUEPVKMJ-NVXWUHKLSA-N 2 2 370.457 0.788 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948354 1225547634 /nfs/dbraw/zinc/54/76/34/1225547634.db2.gz RVMCVVDVLAUMLR-GVDBMIGSSA-N 2 2 362.518 0.776 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948354 1225547639 /nfs/dbraw/zinc/54/76/39/1225547639.db2.gz RVMCVVDVLAUMLR-GVDBMIGSSA-N 2 2 362.518 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC000963757933 1214844275 /nfs/dbraw/zinc/84/42/75/1214844275.db2.gz QFEDKMWSVAXDLQ-QKPAOTATSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC[N@H+]1C ZINC000963757933 1214844278 /nfs/dbraw/zinc/84/42/78/1214844278.db2.gz QFEDKMWSVAXDLQ-QKPAOTATSA-N 2 2 359.474 0.742 20 0 FCADLP Cc1noc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC000964030388 1214890844 /nfs/dbraw/zinc/89/08/44/1214890844.db2.gz LGUJUUTYLDPJHZ-USHOPYPOSA-N 2 2 363.462 0.614 20 0 FCADLP Cc1noc(C[NH2+]C2CC3(CC(NC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC000964030388 1214890846 /nfs/dbraw/zinc/89/08/46/1214890846.db2.gz LGUJUUTYLDPJHZ-USHOPYPOSA-N 2 2 363.462 0.614 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221988724 1225564694 /nfs/dbraw/zinc/56/46/94/1225564694.db2.gz BODVHDIDIIBWQJ-NVXWUHKLSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001221988724 1225564697 /nfs/dbraw/zinc/56/46/97/1225564697.db2.gz BODVHDIDIIBWQJ-NVXWUHKLSA-N 2 2 359.474 0.412 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c(C)[nH+]1 ZINC000964628663 1214989603 /nfs/dbraw/zinc/98/96/03/1214989603.db2.gz DFWHGSTUNYJPMS-VQHPVUNQSA-N 2 2 374.485 0.649 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c(C)[nH+]1 ZINC000964628663 1214989604 /nfs/dbraw/zinc/98/96/04/1214989604.db2.gz DFWHGSTUNYJPMS-VQHPVUNQSA-N 2 2 374.485 0.649 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000966963666 1215191759 /nfs/dbraw/zinc/19/17/59/1215191759.db2.gz BKGJCIJDQCKDJN-IXDOHACOSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000966963666 1215191762 /nfs/dbraw/zinc/19/17/62/1215191762.db2.gz BKGJCIJDQCKDJN-IXDOHACOSA-N 2 2 361.490 0.920 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968009912 1215272333 /nfs/dbraw/zinc/27/23/33/1215272333.db2.gz FHDWXWJRMXLYTK-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968009912 1215272336 /nfs/dbraw/zinc/27/23/36/1215272336.db2.gz FHDWXWJRMXLYTK-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968009912 1215272338 /nfs/dbraw/zinc/27/23/38/1215272338.db2.gz FHDWXWJRMXLYTK-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968009912 1215272341 /nfs/dbraw/zinc/27/23/41/1215272341.db2.gz FHDWXWJRMXLYTK-DTZQCDIJSA-N 2 2 359.474 0.913 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276828203 1225611368 /nfs/dbraw/zinc/61/13/68/1225611368.db2.gz RSYTYKJBSUEFAP-MAUKXSAKSA-N 2 2 364.446 0.159 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276828203 1225611373 /nfs/dbraw/zinc/61/13/73/1225611373.db2.gz RSYTYKJBSUEFAP-MAUKXSAKSA-N 2 2 364.446 0.159 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489564 1225627552 /nfs/dbraw/zinc/62/75/52/1225627552.db2.gz WZWLZQGFPBMFFQ-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489564 1225627553 /nfs/dbraw/zinc/62/75/53/1225627553.db2.gz WZWLZQGFPBMFFQ-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489564 1225627557 /nfs/dbraw/zinc/62/75/57/1225627557.db2.gz WZWLZQGFPBMFFQ-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489564 1225627560 /nfs/dbraw/zinc/62/75/60/1225627560.db2.gz WZWLZQGFPBMFFQ-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001000003612 1215987841 /nfs/dbraw/zinc/98/78/41/1215987841.db2.gz QQYUDVGUPAHEBG-HZPDHXFCSA-N 2 2 364.409 0.812 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001000837566 1216119501 /nfs/dbraw/zinc/11/95/01/1216119501.db2.gz MULHNJDRMIKEAJ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC(=O)N3CCCC3)CC2)O1 ZINC001000837566 1216119502 /nfs/dbraw/zinc/11/95/02/1216119502.db2.gz MULHNJDRMIKEAJ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CC(=O)N3CCCC3)CC2)O1 ZINC001000837566 1216119504 /nfs/dbraw/zinc/11/95/04/1216119504.db2.gz MULHNJDRMIKEAJ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CC(=O)N3CCCC3)CC2)O1 ZINC001000837566 1216119506 /nfs/dbraw/zinc/11/95/06/1216119506.db2.gz MULHNJDRMIKEAJ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001000888654 1216121702 /nfs/dbraw/zinc/12/17/02/1216121702.db2.gz SJNVCTGFZKGHPC-QZWWFDLISA-N 2 2 357.458 0.542 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001170656 1216134183 /nfs/dbraw/zinc/13/41/83/1216134183.db2.gz DRJLRFBNMKHVIN-NUEKZKHPSA-N 2 2 359.474 0.749 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001170656 1216134184 /nfs/dbraw/zinc/13/41/84/1216134184.db2.gz DRJLRFBNMKHVIN-NUEKZKHPSA-N 2 2 359.474 0.749 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841923 1225656488 /nfs/dbraw/zinc/65/64/88/1225656488.db2.gz GLUXUSYRGNHLQO-KDOFPFPSSA-N 2 2 361.446 0.632 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841923 1225656493 /nfs/dbraw/zinc/65/64/93/1225656493.db2.gz GLUXUSYRGNHLQO-KDOFPFPSSA-N 2 2 361.446 0.632 20 0 FCADLP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001001532354 1216238349 /nfs/dbraw/zinc/23/83/49/1216238349.db2.gz MELYNWYSGCEXQW-CRAIPNDOSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001001532354 1216238363 /nfs/dbraw/zinc/23/83/63/1216238363.db2.gz MELYNWYSGCEXQW-CRAIPNDOSA-N 2 2 363.506 0.776 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001050367904 1216312800 /nfs/dbraw/zinc/31/28/00/1216312800.db2.gz CBFQVXOPZQDOMK-OXGONZEZSA-N 2 2 359.474 0.677 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001050554325 1216334885 /nfs/dbraw/zinc/33/48/85/1216334885.db2.gz SXULILRUSONGNC-RRFJBIMHSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001050554324 1216335129 /nfs/dbraw/zinc/33/51/29/1216335129.db2.gz SXULILRUSONGNC-RBSFLKMASA-N 2 2 359.474 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001050669767 1216347636 /nfs/dbraw/zinc/34/76/36/1216347636.db2.gz ODTNMIYEIWAIHW-KFWWJZLASA-N 2 2 357.458 0.337 20 0 FCADLP C[C@H](CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)n1cc[nH+]c1 ZINC001057612252 1216366044 /nfs/dbraw/zinc/36/60/44/1216366044.db2.gz NAMGABXNBHHGMC-BZUAXINKSA-N 2 2 365.478 0.112 20 0 FCADLP 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Cc1ncoc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834205 1216484748 /nfs/dbraw/zinc/48/47/48/1216484748.db2.gz JJTQNNGFVZOTQG-RRFJBIMHSA-N 2 2 359.430 0.837 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051834890 1216486544 /nfs/dbraw/zinc/48/65/44/1216486544.db2.gz ZRDLPXVWKGFPAI-BRWVUGGUSA-N 2 2 362.474 0.767 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488001 1216562439 /nfs/dbraw/zinc/56/24/39/1216562439.db2.gz FTZNGPMRHKIOKX-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488001 1216562445 /nfs/dbraw/zinc/56/24/45/1216562445.db2.gz FTZNGPMRHKIOKX-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488001 1216562451 /nfs/dbraw/zinc/56/24/51/1216562451.db2.gz FTZNGPMRHKIOKX-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC001052488001 1216562456 /nfs/dbraw/zinc/56/24/56/1216562456.db2.gz FTZNGPMRHKIOKX-JFIYKMOQSA-N 2 2 363.506 0.918 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCCO)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052585025 1216574660 /nfs/dbraw/zinc/57/46/60/1216574660.db2.gz WVZJXQIGLIXDEN-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCCO)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052585025 1216574666 /nfs/dbraw/zinc/57/46/66/1216574666.db2.gz WVZJXQIGLIXDEN-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000827376495 1216593164 /nfs/dbraw/zinc/59/31/64/1216593164.db2.gz FIYLMGNYWSJRML-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000827376495 1216593167 /nfs/dbraw/zinc/59/31/67/1216593167.db2.gz FIYLMGNYWSJRML-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057969809 1216614164 /nfs/dbraw/zinc/61/41/64/1216614164.db2.gz LRZUDVNNRRTCTQ-ZIAGYGMSSA-N 2 2 365.478 0.181 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057969809 1216614170 /nfs/dbraw/zinc/61/41/70/1216614170.db2.gz LRZUDVNNRRTCTQ-ZIAGYGMSSA-N 2 2 365.478 0.181 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057969809 1216614174 /nfs/dbraw/zinc/61/41/74/1216614174.db2.gz LRZUDVNNRRTCTQ-ZIAGYGMSSA-N 2 2 365.478 0.181 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057969809 1216614180 /nfs/dbraw/zinc/61/41/80/1216614180.db2.gz LRZUDVNNRRTCTQ-ZIAGYGMSSA-N 2 2 365.478 0.181 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067712470 1216695509 /nfs/dbraw/zinc/69/55/09/1216695509.db2.gz RMHNSXHXLIYXQJ-HZPDHXFCSA-N 2 2 365.478 0.218 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067712470 1216695514 /nfs/dbraw/zinc/69/55/14/1216695514.db2.gz RMHNSXHXLIYXQJ-HZPDHXFCSA-N 2 2 365.478 0.218 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]3n3ccnn3)ccn12 ZINC001069927122 1216847653 /nfs/dbraw/zinc/84/76/53/1216847653.db2.gz KSSWGJIAKKAECO-BMFZPTHFSA-N 2 2 369.429 0.270 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]3n3ccnn3)ccn12 ZINC001069927122 1216847654 /nfs/dbraw/zinc/84/76/54/1216847654.db2.gz KSSWGJIAKKAECO-BMFZPTHFSA-N 2 2 369.429 0.270 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069930555 1216850275 /nfs/dbraw/zinc/85/02/75/1216850275.db2.gz QLKJMBFVMKPGBS-SJORKVTESA-N 2 2 369.473 0.805 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069930555 1216850279 /nfs/dbraw/zinc/85/02/79/1216850279.db2.gz QLKJMBFVMKPGBS-SJORKVTESA-N 2 2 369.473 0.805 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962167 1216869656 /nfs/dbraw/zinc/86/96/56/1216869656.db2.gz IDUHSYCSLVDRTN-OAGGEKHMSA-N 2 2 357.462 0.879 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962167 1216869657 /nfs/dbraw/zinc/86/96/57/1216869657.db2.gz IDUHSYCSLVDRTN-OAGGEKHMSA-N 2 2 357.462 0.879 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572396 1225717164 /nfs/dbraw/zinc/71/71/64/1225717164.db2.gz IOHXNWCYWHHKIN-ZBFHGGJFSA-N 2 2 362.478 0.583 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572396 1225717167 /nfs/dbraw/zinc/71/71/67/1225717167.db2.gz IOHXNWCYWHHKIN-ZBFHGGJFSA-N 2 2 362.478 0.583 20 0 FCADLP CC(=O)[C@H](C)[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276901789 1225717999 /nfs/dbraw/zinc/71/79/99/1225717999.db2.gz SKKYDKSHBBWJQZ-KRWDZBQOSA-N 2 2 364.534 0.916 20 0 FCADLP CC(=O)[C@@H](C)[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276901790 1225718041 /nfs/dbraw/zinc/71/80/41/1225718041.db2.gz SKKYDKSHBBWJQZ-QGZVFWFLSA-N 2 2 364.534 0.916 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ncccn4)C3)C2)O1 ZINC001041403707 1217314515 /nfs/dbraw/zinc/31/45/15/1217314515.db2.gz PNQWXGMETZZJIM-MDZRGWNJSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4ncccn4)C3)C2)O1 ZINC001041403707 1217314521 /nfs/dbraw/zinc/31/45/21/1217314521.db2.gz PNQWXGMETZZJIM-MDZRGWNJSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4ncccn4)C3)C2)O1 ZINC001041403707 1217314530 /nfs/dbraw/zinc/31/45/30/1217314530.db2.gz PNQWXGMETZZJIM-MDZRGWNJSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4ncccn4)C3)C2)O1 ZINC001041403707 1217314537 /nfs/dbraw/zinc/31/45/37/1217314537.db2.gz PNQWXGMETZZJIM-MDZRGWNJSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ncccn4)C3)C2)O1 ZINC001041403703 1217315043 /nfs/dbraw/zinc/31/50/43/1217315043.db2.gz PNQWXGMETZZJIM-GPMSIDNRSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ncccn4)C3)C2)O1 ZINC001041403703 1217315050 /nfs/dbraw/zinc/31/50/50/1217315050.db2.gz PNQWXGMETZZJIM-GPMSIDNRSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4ncccn4)C3)C2)O1 ZINC001041403703 1217315055 /nfs/dbraw/zinc/31/50/55/1217315055.db2.gz PNQWXGMETZZJIM-GPMSIDNRSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ncccn4)C3)C2)O1 ZINC001041403703 1217315060 /nfs/dbraw/zinc/31/50/60/1217315060.db2.gz PNQWXGMETZZJIM-GPMSIDNRSA-N 2 2 359.474 0.620 20 0 FCADLP Cc1noc(C[NH+]2CC[C@@]3(CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404380 1217315087 /nfs/dbraw/zinc/31/50/87/1217315087.db2.gz SVDAOVPWMVLPFX-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1noc(C[NH+]2CC[C@@]3(CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404380 1217315091 /nfs/dbraw/zinc/31/50/91/1217315091.db2.gz SVDAOVPWMVLPFX-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1noc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404380 1217315097 /nfs/dbraw/zinc/31/50/97/1217315097.db2.gz SVDAOVPWMVLPFX-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1noc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404380 1217315100 /nfs/dbraw/zinc/31/51/00/1217315100.db2.gz SVDAOVPWMVLPFX-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(C)c(C)[nH+]1 ZINC001041435599 1217331902 /nfs/dbraw/zinc/33/19/02/1217331902.db2.gz NZSRBQSBHDDLLD-HZPDHXFCSA-N 2 2 359.474 0.696 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001043206618 1217589376 /nfs/dbraw/zinc/58/93/76/1217589376.db2.gz WTMFLVLFIUIOFJ-CXAGYDPISA-N 2 2 369.473 0.928 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001043206618 1217589381 /nfs/dbraw/zinc/58/93/81/1217589381.db2.gz WTMFLVLFIUIOFJ-CXAGYDPISA-N 2 2 369.473 0.928 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)[nH+]1 ZINC001043257387 1217615177 /nfs/dbraw/zinc/61/51/77/1217615177.db2.gz PZCTVYXZJPJNGK-TZMCWYRMSA-N 2 2 359.478 0.601 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)[nH+]1 ZINC001043358277 1217642279 /nfs/dbraw/zinc/64/22/79/1217642279.db2.gz HPZHYLBCTYCXJN-DFBGVHRSSA-N 2 2 361.494 0.845 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001224246254 1225767470 /nfs/dbraw/zinc/76/74/70/1225767470.db2.gz YCHXSHZBCWPHEC-CABCVRRESA-N 2 2 363.462 0.876 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001224246254 1225767473 /nfs/dbraw/zinc/76/74/73/1225767473.db2.gz YCHXSHZBCWPHEC-CABCVRRESA-N 2 2 363.462 0.876 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001224246254 1225767476 /nfs/dbraw/zinc/76/74/76/1225767476.db2.gz YCHXSHZBCWPHEC-CABCVRRESA-N 2 2 363.462 0.876 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001224246254 1225767479 /nfs/dbraw/zinc/76/74/79/1225767479.db2.gz YCHXSHZBCWPHEC-CABCVRRESA-N 2 2 363.462 0.876 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044063101 1217800471 /nfs/dbraw/zinc/80/04/71/1217800471.db2.gz WCHAUFYFYSABPE-IMJJTQAJSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044063101 1217800474 /nfs/dbraw/zinc/80/04/74/1217800474.db2.gz WCHAUFYFYSABPE-IMJJTQAJSA-N 2 2 359.474 0.670 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044192085 1217815482 /nfs/dbraw/zinc/81/54/82/1217815482.db2.gz SBGSOXBKQFJVFM-OAGGEKHMSA-N 2 2 361.490 0.886 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044192085 1217815484 /nfs/dbraw/zinc/81/54/84/1217815484.db2.gz SBGSOXBKQFJVFM-OAGGEKHMSA-N 2 2 361.490 0.886 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@@H]1O ZINC001044703587 1217871884 /nfs/dbraw/zinc/87/18/84/1217871884.db2.gz JPAFIDLVSGMOTD-IKGGRYGDSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@@H]1O ZINC001044703587 1217871886 /nfs/dbraw/zinc/87/18/86/1217871886.db2.gz JPAFIDLVSGMOTD-IKGGRYGDSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@@H]1O ZINC001044703588 1217872190 /nfs/dbraw/zinc/87/21/90/1217872190.db2.gz JPAFIDLVSGMOTD-ZACQAIPSSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@@H]1O ZINC001044703588 1217872192 /nfs/dbraw/zinc/87/21/92/1217872192.db2.gz JPAFIDLVSGMOTD-ZACQAIPSSA-N 2 2 361.490 0.888 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001045044597 1217895523 /nfs/dbraw/zinc/89/55/23/1217895523.db2.gz OVCRMOSMPGBSPC-SOUVJXGZSA-N 2 2 364.494 0.947 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001045044597 1217895524 /nfs/dbraw/zinc/89/55/24/1217895524.db2.gz OVCRMOSMPGBSPC-SOUVJXGZSA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CCF)O1 ZINC001045091088 1217899280 /nfs/dbraw/zinc/89/92/80/1217899280.db2.gz PZAZBSHYMHQLRH-QLFBSQMISA-N 2 2 368.457 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2CCF)O1 ZINC001045091088 1217899282 /nfs/dbraw/zinc/89/92/82/1217899282.db2.gz PZAZBSHYMHQLRH-QLFBSQMISA-N 2 2 368.457 0.047 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001045210260 1217912426 /nfs/dbraw/zinc/91/24/26/1217912426.db2.gz XOVOSSJALKTAFL-NUEKZKHPSA-N 2 2 357.462 0.916 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH+](CCCO)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001045673726 1217948018 /nfs/dbraw/zinc/94/80/18/1217948018.db2.gz WRMCJHWQRNCJEG-BZUAXINKSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH+](CCCO)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001045673726 1217948022 /nfs/dbraw/zinc/94/80/22/1217948022.db2.gz WRMCJHWQRNCJEG-BZUAXINKSA-N 2 2 362.474 0.883 20 0 FCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056929 1217958345 /nfs/dbraw/zinc/95/83/45/1217958345.db2.gz AOORJTQYNYWLDO-PXNSSMCTSA-N 2 2 374.485 0.661 20 0 FCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056929 1217958347 /nfs/dbraw/zinc/95/83/47/1217958347.db2.gz AOORJTQYNYWLDO-PXNSSMCTSA-N 2 2 374.485 0.661 20 0 FCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000900312863 1217978388 /nfs/dbraw/zinc/97/83/88/1217978388.db2.gz HJNUUBWOMFVUPA-FXAWDEMLSA-N 2 2 374.485 0.397 20 0 FCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000900312863 1217978397 /nfs/dbraw/zinc/97/83/97/1217978397.db2.gz HJNUUBWOMFVUPA-FXAWDEMLSA-N 2 2 374.485 0.397 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000900616846 1218013582 /nfs/dbraw/zinc/01/35/82/1218013582.db2.gz RUZVFMRFBFQCTH-INIZCTEOSA-N 2 2 374.489 0.266 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900685609 1218024520 /nfs/dbraw/zinc/02/45/20/1218024520.db2.gz GIWXOXGSFADPOM-UHFFFAOYSA-N 2 2 367.538 0.073 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000900701086 1218028138 /nfs/dbraw/zinc/02/81/38/1218028138.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000900701086 1218028143 /nfs/dbraw/zinc/02/81/43/1218028143.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000900701086 1218028147 /nfs/dbraw/zinc/02/81/47/1218028147.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000900701086 1218028151 /nfs/dbraw/zinc/02/81/51/1218028151.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCCN(C)CC2)C1 ZINC000900701086 1218028158 /nfs/dbraw/zinc/02/81/58/1218028158.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCCN(C)CC2)C1 ZINC000900701086 1218028161 /nfs/dbraw/zinc/02/81/61/1218028161.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2CCCN(C)CC2)C1 ZINC000900701086 1218028165 /nfs/dbraw/zinc/02/81/65/1218028165.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@H+]2CCCN(C)CC2)C1 ZINC000900701086 1218028168 /nfs/dbraw/zinc/02/81/68/1218028168.db2.gz VWFSZKKEKXZSNT-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1C[N@H+](C)CCN1C ZINC000900800797 1218038816 /nfs/dbraw/zinc/03/88/16/1218038816.db2.gz AYNHFXOQWKFNKO-IUODEOHRSA-N 2 2 359.478 0.398 20 0 FCADLP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1C[N@@H+](C)CCN1C ZINC000900800797 1218038819 /nfs/dbraw/zinc/03/88/19/1218038819.db2.gz AYNHFXOQWKFNKO-IUODEOHRSA-N 2 2 359.478 0.398 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900804849 1218039067 /nfs/dbraw/zinc/03/90/67/1218039067.db2.gz NRFRMPXJXLYPJJ-QUCCMNQESA-N 2 2 373.545 0.949 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900804849 1218039072 /nfs/dbraw/zinc/03/90/72/1218039072.db2.gz NRFRMPXJXLYPJJ-QUCCMNQESA-N 2 2 373.545 0.949 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900804851 1218039555 /nfs/dbraw/zinc/03/95/55/1218039555.db2.gz NRFRMPXJXLYPJJ-UYAOXDASSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000900804851 1218039558 /nfs/dbraw/zinc/03/95/58/1218039558.db2.gz NRFRMPXJXLYPJJ-UYAOXDASSA-N 2 2 373.545 0.949 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH+]1 ZINC001047310542 1218130327 /nfs/dbraw/zinc/13/03/27/1218130327.db2.gz UFIKYCNVKACAMI-RRFJBIMHSA-N 2 2 361.494 0.895 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH+]1 ZINC001047310542 1218130329 /nfs/dbraw/zinc/13/03/29/1218130329.db2.gz UFIKYCNVKACAMI-RRFJBIMHSA-N 2 2 361.494 0.895 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386001 1218138359 /nfs/dbraw/zinc/13/83/59/1218138359.db2.gz ILVDPXLIHYHNML-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047386001 1218138363 /nfs/dbraw/zinc/13/83/63/1218138363.db2.gz ILVDPXLIHYHNML-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ncccc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047386001 1218138368 /nfs/dbraw/zinc/13/83/68/1218138368.db2.gz ILVDPXLIHYHNML-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ncccc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047386001 1218138369 /nfs/dbraw/zinc/13/83/69/1218138369.db2.gz ILVDPXLIHYHNML-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047426873 1218142745 /nfs/dbraw/zinc/14/27/45/1218142745.db2.gz KXNNGFACELVBDW-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047426873 1218142751 /nfs/dbraw/zinc/14/27/51/1218142751.db2.gz KXNNGFACELVBDW-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047426873 1218142757 /nfs/dbraw/zinc/14/27/57/1218142757.db2.gz KXNNGFACELVBDW-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047426873 1218142761 /nfs/dbraw/zinc/14/27/61/1218142761.db2.gz KXNNGFACELVBDW-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC001047663594 1218173595 /nfs/dbraw/zinc/17/35/95/1218173595.db2.gz PKUIBMAFJXWAKW-BHYGNILZSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC001047663594 1218173596 /nfs/dbraw/zinc/17/35/96/1218173596.db2.gz PKUIBMAFJXWAKW-BHYGNILZSA-N 2 2 369.473 0.877 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001096350166 1218258737 /nfs/dbraw/zinc/25/87/37/1218258737.db2.gz XKPXUHRRESJIDI-VRKREXBASA-N 2 2 355.446 0.463 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001096350166 1218258738 /nfs/dbraw/zinc/25/87/38/1218258738.db2.gz XKPXUHRRESJIDI-VRKREXBASA-N 2 2 355.446 0.463 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001096350229 1218258917 /nfs/dbraw/zinc/25/89/17/1218258917.db2.gz ZZWVHAPFAZZBSU-IWCQGFGOSA-N 2 2 359.474 0.693 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001096350229 1218258924 /nfs/dbraw/zinc/25/89/24/1218258924.db2.gz ZZWVHAPFAZZBSU-IWCQGFGOSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001048711165 1218308206 /nfs/dbraw/zinc/30/82/06/1218308206.db2.gz PXPNNMIYVAKMSD-AEGPPILISA-N 2 2 357.462 0.789 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001048711165 1218308213 /nfs/dbraw/zinc/30/82/13/1218308213.db2.gz PXPNNMIYVAKMSD-AEGPPILISA-N 2 2 357.462 0.789 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829173 1218322207 /nfs/dbraw/zinc/32/22/07/1218322207.db2.gz KLGHWYIENAUYCA-LVQVYYBASA-N 2 2 361.494 0.484 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829173 1218322211 /nfs/dbraw/zinc/32/22/11/1218322211.db2.gz KLGHWYIENAUYCA-LVQVYYBASA-N 2 2 361.494 0.484 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829173 1218322218 /nfs/dbraw/zinc/32/22/18/1218322218.db2.gz KLGHWYIENAUYCA-LVQVYYBASA-N 2 2 361.494 0.484 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829173 1218322226 /nfs/dbraw/zinc/32/22/26/1218322226.db2.gz KLGHWYIENAUYCA-LVQVYYBASA-N 2 2 361.494 0.484 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873811 1218332878 /nfs/dbraw/zinc/33/28/78/1218332878.db2.gz XVJKPOXOLCBISO-YIDVYQOGSA-N 2 2 367.457 0.682 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873811 1218332884 /nfs/dbraw/zinc/33/28/84/1218332884.db2.gz XVJKPOXOLCBISO-YIDVYQOGSA-N 2 2 367.457 0.682 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873811 1218332888 /nfs/dbraw/zinc/33/28/88/1218332888.db2.gz XVJKPOXOLCBISO-YIDVYQOGSA-N 2 2 367.457 0.682 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2C1 ZINC001048873811 1218332896 /nfs/dbraw/zinc/33/28/96/1218332896.db2.gz XVJKPOXOLCBISO-YIDVYQOGSA-N 2 2 367.457 0.682 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048872820 1218333211 /nfs/dbraw/zinc/33/32/11/1218333211.db2.gz GXBSDOYGBCPCFL-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048872820 1218333218 /nfs/dbraw/zinc/33/32/18/1218333218.db2.gz GXBSDOYGBCPCFL-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048872820 1218333224 /nfs/dbraw/zinc/33/32/24/1218333224.db2.gz GXBSDOYGBCPCFL-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048872820 1218333229 /nfs/dbraw/zinc/33/32/29/1218333229.db2.gz GXBSDOYGBCPCFL-JRBZFYFNSA-N 2 2 357.458 0.524 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)cn1 ZINC001049066231 1218373672 /nfs/dbraw/zinc/37/36/72/1218373672.db2.gz BLVCTOZQXUMWQU-YYIAUSFCSA-N 2 2 354.458 0.848 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)cn1 ZINC001049066231 1218373679 /nfs/dbraw/zinc/37/36/79/1218373679.db2.gz BLVCTOZQXUMWQU-YYIAUSFCSA-N 2 2 354.458 0.848 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001096549159 1218476752 /nfs/dbraw/zinc/47/67/52/1218476752.db2.gz VZOGPLBXCROQAD-IKGGRYGDSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001096549159 1218476757 /nfs/dbraw/zinc/47/67/57/1218476757.db2.gz VZOGPLBXCROQAD-IKGGRYGDSA-N 2 2 359.474 0.972 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001096549715 1218479108 /nfs/dbraw/zinc/47/91/08/1218479108.db2.gz OBYLROAPDOOAOY-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001096549715 1218479115 /nfs/dbraw/zinc/47/91/15/1218479115.db2.gz OBYLROAPDOOAOY-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550067 1218486495 /nfs/dbraw/zinc/48/64/95/1218486495.db2.gz VWJAYSSDJLLZDJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550067 1218486507 /nfs/dbraw/zinc/48/65/07/1218486507.db2.gz VWJAYSSDJLLZDJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnn(C)c2)O1 ZINC001049550067 1218486514 /nfs/dbraw/zinc/48/65/14/1218486514.db2.gz VWJAYSSDJLLZDJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)O1 ZINC001049550067 1218486521 /nfs/dbraw/zinc/48/65/21/1218486521.db2.gz VWJAYSSDJLLZDJ-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](Cc1cnnn1C)CC2 ZINC001277072570 1225824004 /nfs/dbraw/zinc/82/40/04/1225824004.db2.gz PKZLBJAPVKVOGG-UHFFFAOYSA-N 2 2 357.462 0.953 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC001049733746 1218539724 /nfs/dbraw/zinc/53/97/24/1218539724.db2.gz BZSKEKJVFSGSJK-QBPKDAKJSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049733746 1218539731 /nfs/dbraw/zinc/53/97/31/1218539731.db2.gz BZSKEKJVFSGSJK-QBPKDAKJSA-N 2 2 371.485 0.868 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961099 1225829369 /nfs/dbraw/zinc/82/93/69/1225829369.db2.gz LDQGMRHDXGVFIZ-HZPDHXFCSA-N 2 2 365.478 0.512 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226348674 1225841000 /nfs/dbraw/zinc/84/10/00/1225841000.db2.gz VGCYQQKXFISBFR-BRWVUGGUSA-N 2 2 364.490 0.786 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)no1 ZINC001097394106 1218801190 /nfs/dbraw/zinc/80/11/90/1218801190.db2.gz SMEIHGHXPQIALM-UNEWFSDZSA-N 2 2 358.446 0.968 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)no1 ZINC001097394106 1218801191 /nfs/dbraw/zinc/80/11/91/1218801191.db2.gz SMEIHGHXPQIALM-UNEWFSDZSA-N 2 2 358.446 0.968 20 0 FCADLP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)C1=O ZINC001097444839 1218806646 /nfs/dbraw/zinc/80/66/46/1218806646.db2.gz KICJFTSGAHLQAY-SIXLDLHFSA-N 2 2 353.426 0.900 20 0 FCADLP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)C1=O ZINC001097444839 1218806647 /nfs/dbraw/zinc/80/66/47/1218806647.db2.gz KICJFTSGAHLQAY-SIXLDLHFSA-N 2 2 353.426 0.900 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507568 1218813648 /nfs/dbraw/zinc/81/36/48/1218813648.db2.gz DPMMILZKVAQOBY-SIXLDLHFSA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507568 1218813649 /nfs/dbraw/zinc/81/36/49/1218813649.db2.gz DPMMILZKVAQOBY-SIXLDLHFSA-N 2 2 368.441 0.866 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564855 1218819867 /nfs/dbraw/zinc/81/98/67/1218819867.db2.gz WBODOVIZOCGQSS-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564855 1218819869 /nfs/dbraw/zinc/81/98/69/1218819869.db2.gz WBODOVIZOCGQSS-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097564855 1218819871 /nfs/dbraw/zinc/81/98/71/1218819871.db2.gz WBODOVIZOCGQSS-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097564855 1218819872 /nfs/dbraw/zinc/81/98/72/1218819872.db2.gz WBODOVIZOCGQSS-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001097573933 1218822309 /nfs/dbraw/zinc/82/23/09/1218822309.db2.gz SEHXIUGNBPZYHE-QQXKLLMISA-N 2 2 363.502 0.998 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001097573933 1218822310 /nfs/dbraw/zinc/82/23/10/1218822310.db2.gz SEHXIUGNBPZYHE-QQXKLLMISA-N 2 2 363.502 0.998 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001097712193 1218840207 /nfs/dbraw/zinc/84/02/07/1218840207.db2.gz GQGDNCUCPBELBF-BDXSIMOUSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001097712193 1218840209 /nfs/dbraw/zinc/84/02/09/1218840209.db2.gz GQGDNCUCPBELBF-BDXSIMOUSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnn(C)c2)C1 ZINC001097712193 1218840210 /nfs/dbraw/zinc/84/02/10/1218840210.db2.gz GQGDNCUCPBELBF-BDXSIMOUSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnn(C)c2)C1 ZINC001097712193 1218840212 /nfs/dbraw/zinc/84/02/12/1218840212.db2.gz GQGDNCUCPBELBF-BDXSIMOUSA-N 2 2 361.490 0.751 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N(C)C)CC2 ZINC001097736658 1218842605 /nfs/dbraw/zinc/84/26/05/1218842605.db2.gz GNTOAAFGMBOMGB-ABFRBSLYSA-N 2 2 359.474 0.564 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N(C)C)CC2 ZINC001097736658 1218842606 /nfs/dbraw/zinc/84/26/06/1218842606.db2.gz GNTOAAFGMBOMGB-ABFRBSLYSA-N 2 2 359.474 0.564 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1=O ZINC001277147489 1225851938 /nfs/dbraw/zinc/85/19/38/1225851938.db2.gz YJNPLOSSMSXRTK-KRWDZBQOSA-N 2 2 358.402 0.246 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1=O ZINC001277147489 1225851943 /nfs/dbraw/zinc/85/19/43/1225851943.db2.gz YJNPLOSSMSXRTK-KRWDZBQOSA-N 2 2 358.402 0.246 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001226904194 1225857836 /nfs/dbraw/zinc/85/78/36/1225857836.db2.gz OICVXLBUGSWAAF-RCCFBDPRSA-N 3 2 368.570 0.003 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055034590 1218979527 /nfs/dbraw/zinc/97/95/27/1218979527.db2.gz XIBZSTWVRACUPY-KNCCTNLNSA-N 2 2 370.501 0.642 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055034590 1218979532 /nfs/dbraw/zinc/97/95/32/1218979532.db2.gz XIBZSTWVRACUPY-KNCCTNLNSA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001055034590 1218979536 /nfs/dbraw/zinc/97/95/36/1218979536.db2.gz XIBZSTWVRACUPY-KNCCTNLNSA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001055034590 1218979541 /nfs/dbraw/zinc/97/95/41/1218979541.db2.gz XIBZSTWVRACUPY-KNCCTNLNSA-N 2 2 370.501 0.642 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[NH+](C)CC2 ZINC001055295060 1219023352 /nfs/dbraw/zinc/02/33/52/1219023352.db2.gz SUDUCXWECCALER-ZSGPHXLJSA-N 2 2 370.501 0.785 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[NH+](C)CC2 ZINC001055295060 1219023356 /nfs/dbraw/zinc/02/33/56/1219023356.db2.gz SUDUCXWECCALER-ZSGPHXLJSA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@H+](C)CC2 ZINC001055295060 1219023361 /nfs/dbraw/zinc/02/33/61/1219023361.db2.gz SUDUCXWECCALER-ZSGPHXLJSA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@@H+](C)CC2 ZINC001055295060 1219023362 /nfs/dbraw/zinc/02/33/62/1219023362.db2.gz SUDUCXWECCALER-ZSGPHXLJSA-N 2 2 370.501 0.785 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227164718 1225864736 /nfs/dbraw/zinc/86/47/36/1225864736.db2.gz FGOAUEPQHFRWIZ-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227166924 1225865464 /nfs/dbraw/zinc/86/54/64/1225865464.db2.gz WMNPNQPQBWOEHZ-BZUAXINKSA-N 2 2 361.490 0.987 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055510559 1219062532 /nfs/dbraw/zinc/06/25/32/1219062532.db2.gz ZFECEWIIBQNCDC-RFUYNDQBSA-N 2 2 369.473 0.933 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001055510559 1219062535 /nfs/dbraw/zinc/06/25/35/1219062535.db2.gz ZFECEWIIBQNCDC-RFUYNDQBSA-N 2 2 369.473 0.933 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3(C)CC3)CC2)O1 ZINC001055588466 1219090812 /nfs/dbraw/zinc/09/08/12/1219090812.db2.gz PZWKRGLHRVDYBJ-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3(C)CC3)CC2)O1 ZINC001055588466 1219090816 /nfs/dbraw/zinc/09/08/16/1219090816.db2.gz PZWKRGLHRVDYBJ-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C/C=C(/C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055595570 1219094628 /nfs/dbraw/zinc/09/46/28/1219094628.db2.gz ZIRMRZOFILSZOJ-HFRZQLDCSA-N 2 2 366.506 0.369 20 0 FCADLP C/C=C(/C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055595570 1219094634 /nfs/dbraw/zinc/09/46/34/1219094634.db2.gz ZIRMRZOFILSZOJ-HFRZQLDCSA-N 2 2 366.506 0.369 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070095970 1219166264 /nfs/dbraw/zinc/16/62/64/1219166264.db2.gz BWMLHDRFWCJPST-OLZOCXBDSA-N 2 2 371.367 0.777 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070095970 1219166265 /nfs/dbraw/zinc/16/62/65/1219166265.db2.gz BWMLHDRFWCJPST-OLZOCXBDSA-N 2 2 371.367 0.777 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096423 1219168053 /nfs/dbraw/zinc/16/80/53/1219168053.db2.gz ZAEJIGYVFKPIPB-UAGQMJEPSA-N 2 2 355.446 0.167 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096423 1219168057 /nfs/dbraw/zinc/16/80/57/1219168057.db2.gz ZAEJIGYVFKPIPB-UAGQMJEPSA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096423 1219168061 /nfs/dbraw/zinc/16/80/61/1219168061.db2.gz ZAEJIGYVFKPIPB-UAGQMJEPSA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096423 1219168064 /nfs/dbraw/zinc/16/80/64/1219168064.db2.gz ZAEJIGYVFKPIPB-UAGQMJEPSA-N 2 2 355.446 0.167 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158470 1219245069 /nfs/dbraw/zinc/24/50/69/1219245069.db2.gz LTHRNQSBUMENFB-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158470 1219245075 /nfs/dbraw/zinc/24/50/75/1219245075.db2.gz LTHRNQSBUMENFB-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070196566 1219287679 /nfs/dbraw/zinc/28/76/79/1219287679.db2.gz FGHJRYUMLFFVQW-KFWWJZLASA-N 2 2 363.441 0.999 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220481 1219302532 /nfs/dbraw/zinc/30/25/32/1219302532.db2.gz HPJILUNGEABYGK-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)C2 ZINC001070222321 1219303188 /nfs/dbraw/zinc/30/31/88/1219303188.db2.gz JHJMPPUTCAMPCI-OLMNPRSZSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]([NH2+]CC3CC3)[C@@H](n3ccnn3)C1)CC2 ZINC001070222321 1219303192 /nfs/dbraw/zinc/30/31/92/1219303192.db2.gz JHJMPPUTCAMPCI-OLMNPRSZSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070234790 1219310239 /nfs/dbraw/zinc/31/02/39/1219310239.db2.gz IBNLKEYGBIJJPC-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C1)CC2 ZINC001070261030 1219331121 /nfs/dbraw/zinc/33/11/21/1219331121.db2.gz ZJQPIYTVNMPNMJ-IMJJTQAJSA-N 2 2 361.425 0.357 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070303040 1219362258 /nfs/dbraw/zinc/36/22/58/1219362258.db2.gz NJKHBDSGAPEHKF-OLZOCXBDSA-N 2 2 365.388 0.631 20 0 FCADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334657 1219383903 /nfs/dbraw/zinc/38/39/03/1219383903.db2.gz JSTDLVHKADHJCG-IXDOHACOSA-N 2 2 357.462 0.726 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001227847769 1225888273 /nfs/dbraw/zinc/88/82/73/1225888273.db2.gz BMLFBODCEQXOKR-HUUCEWRRSA-N 2 2 361.446 0.439 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953265 1225891639 /nfs/dbraw/zinc/89/16/39/1225891639.db2.gz FHVBZAKNCSHIAF-GDBMZVCRSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953265 1225891642 /nfs/dbraw/zinc/89/16/42/1225891642.db2.gz FHVBZAKNCSHIAF-GDBMZVCRSA-N 2 2 368.522 0.591 20 0 FCADLP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919308 1219573883 /nfs/dbraw/zinc/57/38/83/1219573883.db2.gz FIMUPPRNCPSHQL-OAGGEKHMSA-N 2 2 361.446 0.858 20 0 FCADLP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919308 1219573887 /nfs/dbraw/zinc/57/38/87/1219573887.db2.gz FIMUPPRNCPSHQL-OAGGEKHMSA-N 2 2 361.446 0.858 20 0 FCADLP C[C@@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)n1cc[nH+]c1 ZINC001071090115 1219603643 /nfs/dbraw/zinc/60/36/43/1219603643.db2.gz AEHUGJQIDCHKPD-JOQOYGCGSA-N 2 2 363.462 0.305 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071092001 1219604322 /nfs/dbraw/zinc/60/43/22/1219604322.db2.gz FCEUVTHKOWIZRS-MJEQTWJJSA-N 2 2 363.462 0.059 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071092001 1219604326 /nfs/dbraw/zinc/60/43/26/1219604326.db2.gz FCEUVTHKOWIZRS-MJEQTWJJSA-N 2 2 363.462 0.059 20 0 FCADLP CC(C)[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268058 1219611659 /nfs/dbraw/zinc/61/16/59/1219611659.db2.gz WENBAYKJRNLYGS-BRWVUGGUSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268058 1219611662 /nfs/dbraw/zinc/61/16/62/1219611662.db2.gz WENBAYKJRNLYGS-BRWVUGGUSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268058 1219611663 /nfs/dbraw/zinc/61/16/63/1219611663.db2.gz WENBAYKJRNLYGS-BRWVUGGUSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268058 1219611667 /nfs/dbraw/zinc/61/16/67/1219611667.db2.gz WENBAYKJRNLYGS-BRWVUGGUSA-N 2 2 366.506 0.249 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CC[NH+](Cc3ccc(=O)[nH]n3)CC2)C1=O ZINC001277282373 1225904360 /nfs/dbraw/zinc/90/43/60/1225904360.db2.gz KTGZGLYFNYVWAG-UHFFFAOYSA-N 2 2 356.430 0.930 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccn(C)n3)CCCO2)CC[N@@H+]1C ZINC001073605080 1219671155 /nfs/dbraw/zinc/67/11/55/1219671155.db2.gz AFGIIKVZQGLAFJ-OKZBNKHCSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccn(C)n3)CCCO2)CC[N@H+]1C ZINC001073605080 1219671158 /nfs/dbraw/zinc/67/11/58/1219671158.db2.gz AFGIIKVZQGLAFJ-OKZBNKHCSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccn(C)n3)CCCO2)CC[NH+]1C ZINC001073605080 1219671159 /nfs/dbraw/zinc/67/11/59/1219671159.db2.gz AFGIIKVZQGLAFJ-OKZBNKHCSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccn(C)n3)CCCO2)CC[NH+]1C ZINC001073605080 1219671164 /nfs/dbraw/zinc/67/11/64/1219671164.db2.gz AFGIIKVZQGLAFJ-OKZBNKHCSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074693419 1219716353 /nfs/dbraw/zinc/71/63/53/1219716353.db2.gz XZFVDIGBKGHSPZ-XZDPQHSOSA-N 2 2 355.442 0.991 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074693419 1219716356 /nfs/dbraw/zinc/71/63/56/1219716356.db2.gz XZFVDIGBKGHSPZ-XZDPQHSOSA-N 2 2 355.442 0.991 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C)n1C ZINC001074896084 1219729804 /nfs/dbraw/zinc/72/98/04/1219729804.db2.gz ZQTQDFOXMGCPFQ-YJNKXOJESA-N 2 2 371.489 0.994 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098218227 1219742227 /nfs/dbraw/zinc/74/22/27/1219742227.db2.gz ZZWVHAPFAZZBSU-MXASKKJJSA-N 2 2 359.474 0.693 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1=O ZINC001098218227 1219742232 /nfs/dbraw/zinc/74/22/32/1219742232.db2.gz ZZWVHAPFAZZBSU-MXASKKJJSA-N 2 2 359.474 0.693 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(N)=O)cc1 ZINC001098219786 1219742930 /nfs/dbraw/zinc/74/29/30/1219742930.db2.gz SOCIAGMEYUQKEL-NXHRZFHOSA-N 2 2 367.453 0.983 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C(N)=O)cc1 ZINC001098219786 1219742933 /nfs/dbraw/zinc/74/29/33/1219742933.db2.gz SOCIAGMEYUQKEL-NXHRZFHOSA-N 2 2 367.453 0.983 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001098231016 1219744885 /nfs/dbraw/zinc/74/48/85/1219744885.db2.gz VRQLBYITINUCPE-UNEWFSDZSA-N 2 2 372.473 0.508 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001098231016 1219744887 /nfs/dbraw/zinc/74/48/87/1219744887.db2.gz VRQLBYITINUCPE-UNEWFSDZSA-N 2 2 372.473 0.508 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001098401723 1219774256 /nfs/dbraw/zinc/77/42/56/1219774256.db2.gz LVUILDJEEDMUKN-VQHPVUNQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001098401723 1219774258 /nfs/dbraw/zinc/77/42/58/1219774258.db2.gz LVUILDJEEDMUKN-VQHPVUNQSA-N 2 2 364.490 0.051 20 0 FCADLP CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001098437362 1219780466 /nfs/dbraw/zinc/78/04/66/1219780466.db2.gz VWBFBUKDXOSXGH-MSOLQXFVSA-N 2 2 369.506 0.171 20 0 FCADLP CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001098437362 1219780469 /nfs/dbraw/zinc/78/04/69/1219780469.db2.gz VWBFBUKDXOSXGH-MSOLQXFVSA-N 2 2 369.506 0.171 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098773212 1219823380 /nfs/dbraw/zinc/82/33/80/1219823380.db2.gz ALWWFIYHHBETKH-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098773212 1219823383 /nfs/dbraw/zinc/82/33/83/1219823383.db2.gz ALWWFIYHHBETKH-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098773212 1219823386 /nfs/dbraw/zinc/82/33/86/1219823386.db2.gz ALWWFIYHHBETKH-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098773212 1219823388 /nfs/dbraw/zinc/82/33/88/1219823388.db2.gz ALWWFIYHHBETKH-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001098850857 1219840130 /nfs/dbraw/zinc/84/01/30/1219840130.db2.gz QEQUHJQCYKQBFA-NBQZKYEYSA-N 2 2 371.485 0.621 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001098850857 1219840133 /nfs/dbraw/zinc/84/01/33/1219840133.db2.gz QEQUHJQCYKQBFA-NBQZKYEYSA-N 2 2 371.485 0.621 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908603 1219858189 /nfs/dbraw/zinc/85/81/89/1219858189.db2.gz FEMFKTDQANTLPN-VCBZYWHSSA-N 2 2 359.474 0.504 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908603 1219858192 /nfs/dbraw/zinc/85/81/92/1219858192.db2.gz FEMFKTDQANTLPN-VCBZYWHSSA-N 2 2 359.474 0.504 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)N1CCC1 ZINC001098911653 1219859729 /nfs/dbraw/zinc/85/97/29/1219859729.db2.gz WLQBJZSXBZUISZ-GUXCAODWSA-N 2 2 371.485 0.649 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)N1CCC1 ZINC001098911653 1219859732 /nfs/dbraw/zinc/85/97/32/1219859732.db2.gz WLQBJZSXBZUISZ-GUXCAODWSA-N 2 2 371.485 0.649 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914258 1219861743 /nfs/dbraw/zinc/86/17/43/1219861743.db2.gz OFEBALFEZMDDOF-UGSOOPFHSA-N 2 2 363.462 0.409 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914258 1219861748 /nfs/dbraw/zinc/86/17/48/1219861748.db2.gz OFEBALFEZMDDOF-UGSOOPFHSA-N 2 2 363.462 0.409 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001111463949 1219884598 /nfs/dbraw/zinc/88/45/98/1219884598.db2.gz AVCBMYUZYPUSLM-VQHPVUNQSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001111463949 1219884599 /nfs/dbraw/zinc/88/45/99/1219884599.db2.gz AVCBMYUZYPUSLM-VQHPVUNQSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111463949 1219884601 /nfs/dbraw/zinc/88/46/01/1219884601.db2.gz AVCBMYUZYPUSLM-VQHPVUNQSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111463949 1219884603 /nfs/dbraw/zinc/88/46/03/1219884603.db2.gz AVCBMYUZYPUSLM-VQHPVUNQSA-N 2 2 366.506 0.201 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001234 1219885768 /nfs/dbraw/zinc/88/57/68/1219885768.db2.gz DCDDLHARJRVIMR-VCBZYWHSSA-N 2 2 359.474 0.471 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001099001234 1219885769 /nfs/dbraw/zinc/88/57/69/1219885769.db2.gz DCDDLHARJRVIMR-VCBZYWHSSA-N 2 2 359.474 0.471 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465459 1219898993 /nfs/dbraw/zinc/89/89/93/1219898993.db2.gz WGGSFRCAJVUQIE-YJNKXOJESA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465459 1219898997 /nfs/dbraw/zinc/89/89/97/1219898997.db2.gz WGGSFRCAJVUQIE-YJNKXOJESA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465459 1219899000 /nfs/dbraw/zinc/89/90/00/1219899000.db2.gz WGGSFRCAJVUQIE-YJNKXOJESA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465459 1219899003 /nfs/dbraw/zinc/89/90/03/1219899003.db2.gz WGGSFRCAJVUQIE-YJNKXOJESA-N 2 2 367.494 0.282 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099121180 1219919981 /nfs/dbraw/zinc/91/99/81/1219919981.db2.gz RCPBDDAYJMSHJO-DOXZYTNZSA-N 2 2 369.473 0.712 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099121180 1219919984 /nfs/dbraw/zinc/91/99/84/1219919984.db2.gz RCPBDDAYJMSHJO-DOXZYTNZSA-N 2 2 369.473 0.712 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001099443579 1219998022 /nfs/dbraw/zinc/99/80/22/1219998022.db2.gz FLDZXKVBICYFRD-GMBSWORKSA-N 2 2 359.474 0.839 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001099443579 1219998029 /nfs/dbraw/zinc/99/80/29/1219998029.db2.gz FLDZXKVBICYFRD-GMBSWORKSA-N 2 2 359.474 0.839 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099526764 1220023379 /nfs/dbraw/zinc/02/33/79/1220023379.db2.gz RTWPSHDCUICMGE-KSSFIOAISA-N 2 2 357.462 0.510 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099527721 1220024396 /nfs/dbraw/zinc/02/43/96/1220024396.db2.gz YSELBSYGLJLHFH-KSSFIOAISA-N 2 2 357.462 0.510 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)Nc1cnccn1 ZINC001228799944 1225951590 /nfs/dbraw/zinc/95/15/90/1225951590.db2.gz BWQDEKCOXXDEQF-ZIAGYGMSSA-N 2 2 357.418 0.398 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc4n3CCCC4)C[C@@]2(C)C1 ZINC001101351253 1220297668 /nfs/dbraw/zinc/29/76/68/1220297668.db2.gz ZYQQHLGGXYKRPZ-BEFAXECRSA-N 2 2 360.506 0.846 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc4n3CCCC4)C[C@@]2(C)C1 ZINC001101351253 1220297669 /nfs/dbraw/zinc/29/76/69/1220297669.db2.gz ZYQQHLGGXYKRPZ-BEFAXECRSA-N 2 2 360.506 0.846 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375121 1220308311 /nfs/dbraw/zinc/30/83/11/1220308311.db2.gz CPXYXNYKESJTDW-CLCXKQKWSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375121 1220308315 /nfs/dbraw/zinc/30/83/15/1220308315.db2.gz CPXYXNYKESJTDW-CLCXKQKWSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375444 1220308449 /nfs/dbraw/zinc/30/84/49/1220308449.db2.gz TTYQBYJLZOEIBD-KHYOSLBOSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375444 1220308453 /nfs/dbraw/zinc/30/84/53/1220308453.db2.gz TTYQBYJLZOEIBD-KHYOSLBOSA-N 2 2 361.490 0.893 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101430232 1220339850 /nfs/dbraw/zinc/33/98/50/1220339850.db2.gz VDPOKVOJDDMYCE-KUHUBIRLSA-N 2 2 361.490 0.946 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101430232 1220339851 /nfs/dbraw/zinc/33/98/51/1220339851.db2.gz VDPOKVOJDDMYCE-KUHUBIRLSA-N 2 2 361.490 0.946 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC001101488137 1220372073 /nfs/dbraw/zinc/37/20/73/1220372073.db2.gz NUELGIJAFUSWOL-OGWOLHLISA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC001101488137 1220372077 /nfs/dbraw/zinc/37/20/77/1220372077.db2.gz NUELGIJAFUSWOL-OGWOLHLISA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101987066 1220453117 /nfs/dbraw/zinc/45/31/17/1220453117.db2.gz WSBHMUUNYZWIFS-FMKPAKJESA-N 2 2 359.474 0.335 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101987066 1220453121 /nfs/dbraw/zinc/45/31/21/1220453121.db2.gz WSBHMUUNYZWIFS-FMKPAKJESA-N 2 2 359.474 0.335 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986947 1220453552 /nfs/dbraw/zinc/45/35/52/1220453552.db2.gz RFJPQTCXSKAJGY-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986947 1220453554 /nfs/dbraw/zinc/45/35/54/1220453554.db2.gz RFJPQTCXSKAJGY-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986723 1220453716 /nfs/dbraw/zinc/45/37/16/1220453716.db2.gz IOSKYTFJTQJUEC-HUUCEWRRSA-N 2 2 361.490 0.534 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986723 1220453718 /nfs/dbraw/zinc/45/37/18/1220453718.db2.gz IOSKYTFJTQJUEC-HUUCEWRRSA-N 2 2 361.490 0.534 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC001102030788 1220470367 /nfs/dbraw/zinc/47/03/67/1220470367.db2.gz DKSINYUODUUAHW-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC001102030788 1220470370 /nfs/dbraw/zinc/47/03/70/1220470370.db2.gz DKSINYUODUUAHW-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@H](C)C2)n1 ZINC001102030788 1220470374 /nfs/dbraw/zinc/47/03/74/1220470374.db2.gz DKSINYUODUUAHW-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@H](C)C2)n1 ZINC001102030788 1220470376 /nfs/dbraw/zinc/47/03/76/1220470376.db2.gz DKSINYUODUUAHW-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102049815 1220476994 /nfs/dbraw/zinc/47/69/94/1220476994.db2.gz FKPCOKPISWMEQD-HUUCEWRRSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102049815 1220476998 /nfs/dbraw/zinc/47/69/98/1220476998.db2.gz FKPCOKPISWMEQD-HUUCEWRRSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102049815 1220477002 /nfs/dbraw/zinc/47/70/02/1220477002.db2.gz FKPCOKPISWMEQD-HUUCEWRRSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102049815 1220477004 /nfs/dbraw/zinc/47/70/04/1220477004.db2.gz FKPCOKPISWMEQD-HUUCEWRRSA-N 2 2 363.510 0.922 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050050 1220478025 /nfs/dbraw/zinc/47/80/25/1220478025.db2.gz RRWSRJORSIPCJP-ZIAGYGMSSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050050 1220478028 /nfs/dbraw/zinc/47/80/28/1220478028.db2.gz RRWSRJORSIPCJP-ZIAGYGMSSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102050050 1220478030 /nfs/dbraw/zinc/47/80/30/1220478030.db2.gz RRWSRJORSIPCJP-ZIAGYGMSSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102050050 1220478033 /nfs/dbraw/zinc/47/80/33/1220478033.db2.gz RRWSRJORSIPCJP-ZIAGYGMSSA-N 2 2 361.494 0.676 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C)[NH+](C)C ZINC001102088559 1220492253 /nfs/dbraw/zinc/49/22/53/1220492253.db2.gz ZWCICZZPOCLLSS-BPLDGKMQSA-N 2 2 365.478 0.946 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)on2)C[C@H]1C)[NH+](C)C ZINC001102088559 1220492256 /nfs/dbraw/zinc/49/22/56/1220492256.db2.gz ZWCICZZPOCLLSS-BPLDGKMQSA-N 2 2 365.478 0.946 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104183 1220497962 /nfs/dbraw/zinc/49/79/62/1220497962.db2.gz JJAZIGWDMCACIU-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104183 1220497964 /nfs/dbraw/zinc/49/79/64/1220497964.db2.gz JJAZIGWDMCACIU-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104109 1220498083 /nfs/dbraw/zinc/49/80/83/1220498083.db2.gz GHZBXFDADMYLTL-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104109 1220498086 /nfs/dbraw/zinc/49/80/86/1220498086.db2.gz GHZBXFDADMYLTL-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109711 1220501587 /nfs/dbraw/zinc/50/15/87/1220501587.db2.gz YQOAONYEDMCZPZ-ZIAGYGMSSA-N 2 2 365.478 0.512 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109711 1220501594 /nfs/dbraw/zinc/50/15/94/1220501594.db2.gz YQOAONYEDMCZPZ-ZIAGYGMSSA-N 2 2 365.478 0.512 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)on1 ZINC001102290409 1220575584 /nfs/dbraw/zinc/57/55/84/1220575584.db2.gz CTJNFHUGFLBFLT-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)on1 ZINC001102290409 1220575591 /nfs/dbraw/zinc/57/55/91/1220575591.db2.gz CTJNFHUGFLBFLT-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102314535 1220581802 /nfs/dbraw/zinc/58/18/02/1220581802.db2.gz NWEHIICSACDLTG-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001102314535 1220581807 /nfs/dbraw/zinc/58/18/07/1220581807.db2.gz NWEHIICSACDLTG-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102314535 1220581812 /nfs/dbraw/zinc/58/18/12/1220581812.db2.gz NWEHIICSACDLTG-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001102314535 1220581815 /nfs/dbraw/zinc/58/18/15/1220581815.db2.gz NWEHIICSACDLTG-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370321 1220597503 /nfs/dbraw/zinc/59/75/03/1220597503.db2.gz WXRYZAKTHUFEBL-RRFJBIMHSA-N 2 2 364.494 0.662 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370321 1220597512 /nfs/dbraw/zinc/59/75/12/1220597512.db2.gz WXRYZAKTHUFEBL-RRFJBIMHSA-N 2 2 364.494 0.662 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370321 1220597518 /nfs/dbraw/zinc/59/75/18/1220597518.db2.gz WXRYZAKTHUFEBL-RRFJBIMHSA-N 2 2 364.494 0.662 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC001102370321 1220597525 /nfs/dbraw/zinc/59/75/25/1220597525.db2.gz WXRYZAKTHUFEBL-RRFJBIMHSA-N 2 2 364.494 0.662 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380507 1220601735 /nfs/dbraw/zinc/60/17/35/1220601735.db2.gz KSXGYRAFHLZYDX-KLHDSHLOSA-N 2 2 361.490 0.732 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380507 1220601741 /nfs/dbraw/zinc/60/17/41/1220601741.db2.gz KSXGYRAFHLZYDX-KLHDSHLOSA-N 2 2 361.490 0.732 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102480826 1220647922 /nfs/dbraw/zinc/64/79/22/1220647922.db2.gz JXSMTVQFTOXMLR-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102480826 1220647926 /nfs/dbraw/zinc/64/79/26/1220647926.db2.gz JXSMTVQFTOXMLR-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513577 1220672599 /nfs/dbraw/zinc/67/25/99/1220672599.db2.gz RELLHBQFJXFFGA-NUJGCVRESA-N 2 2 364.490 0.842 20 0 FCADLP 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CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1nnnn1C)C2 ZINC001111950832 1221182563 /nfs/dbraw/zinc/18/25/63/1221182563.db2.gz CRXWPNBHSUETKK-VKJFTORMSA-N 2 2 363.510 0.974 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+]([C@H](C)c1nnnn1C)C2 ZINC001111950832 1221182567 /nfs/dbraw/zinc/18/25/67/1221182567.db2.gz CRXWPNBHSUETKK-VKJFTORMSA-N 2 2 363.510 0.974 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnnn1C)C2 ZINC001111950832 1221182570 /nfs/dbraw/zinc/18/25/70/1221182570.db2.gz CRXWPNBHSUETKK-VKJFTORMSA-N 2 2 363.510 0.974 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnnn1C)C2 ZINC001111950832 1221182573 /nfs/dbraw/zinc/18/25/73/1221182573.db2.gz CRXWPNBHSUETKK-VKJFTORMSA-N 2 2 363.510 0.974 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111955879 1221183841 /nfs/dbraw/zinc/18/38/41/1221183841.db2.gz XRSGUGWZSZIYFQ-KXBFYZLASA-N 2 2 359.474 0.758 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111955879 1221183843 /nfs/dbraw/zinc/18/38/43/1221183843.db2.gz XRSGUGWZSZIYFQ-KXBFYZLASA-N 2 2 359.474 0.758 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001111962576 1221187312 /nfs/dbraw/zinc/18/73/12/1221187312.db2.gz DZJFJZBELZCAHS-QOKNQOGYSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001111962576 1221187317 /nfs/dbraw/zinc/18/73/17/1221187317.db2.gz DZJFJZBELZCAHS-QOKNQOGYSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001111962751 1221187433 /nfs/dbraw/zinc/18/74/33/1221187433.db2.gz OPCYQKHKWOGDCX-LIRRHRJNSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001111962751 1221187435 /nfs/dbraw/zinc/18/74/35/1221187435.db2.gz OPCYQKHKWOGDCX-LIRRHRJNSA-N 2 2 359.474 0.602 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC(C)C)C2 ZINC001111984740 1221193604 /nfs/dbraw/zinc/19/36/04/1221193604.db2.gz MCQBXSFHAAZLOA-LPHOPBHVSA-N 2 2 361.490 0.934 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC(C)C)C2 ZINC001111984740 1221193608 /nfs/dbraw/zinc/19/36/08/1221193608.db2.gz MCQBXSFHAAZLOA-LPHOPBHVSA-N 2 2 361.490 0.934 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001111984968 1221194120 /nfs/dbraw/zinc/19/41/20/1221194120.db2.gz XELILEVSNMTNES-SYNHAJSKSA-N 2 2 362.518 0.968 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001111984968 1221194124 /nfs/dbraw/zinc/19/41/24/1221194124.db2.gz XELILEVSNMTNES-SYNHAJSKSA-N 2 2 362.518 0.968 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111996379 1221197316 /nfs/dbraw/zinc/19/73/16/1221197316.db2.gz XLJIYGOJCRSICU-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111996379 1221197319 /nfs/dbraw/zinc/19/73/19/1221197319.db2.gz XLJIYGOJCRSICU-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001111996379 1221197320 /nfs/dbraw/zinc/19/73/20/1221197320.db2.gz XLJIYGOJCRSICU-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001111996379 1221197323 /nfs/dbraw/zinc/19/73/23/1221197323.db2.gz XLJIYGOJCRSICU-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112018623 1221202089 /nfs/dbraw/zinc/20/20/89/1221202089.db2.gz IBHKAGISDCKIMP-KNBMTAEXSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112018623 1221202092 /nfs/dbraw/zinc/20/20/92/1221202092.db2.gz IBHKAGISDCKIMP-KNBMTAEXSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112018623 1221202096 /nfs/dbraw/zinc/20/20/96/1221202096.db2.gz IBHKAGISDCKIMP-KNBMTAEXSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001112018623 1221202098 /nfs/dbraw/zinc/20/20/98/1221202098.db2.gz IBHKAGISDCKIMP-KNBMTAEXSA-N 2 2 358.486 0.963 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001112021245 1221203259 /nfs/dbraw/zinc/20/32/59/1221203259.db2.gz BMCSTWRZJXCOEG-FCEWJHQRSA-N 2 2 359.474 0.913 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001112021245 1221203263 /nfs/dbraw/zinc/20/32/63/1221203263.db2.gz BMCSTWRZJXCOEG-FCEWJHQRSA-N 2 2 359.474 0.913 20 0 FCADLP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799138433 1221302765 /nfs/dbraw/zinc/30/27/65/1221302765.db2.gz BICZNRFJJKBVCS-INIZCTEOSA-N 2 2 360.458 0.554 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001116712272 1221382332 /nfs/dbraw/zinc/38/23/32/1221382332.db2.gz XIGATNUONASPPG-CYBMUJFWSA-N 2 2 360.462 0.262 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001116712272 1221382338 /nfs/dbraw/zinc/38/23/38/1221382338.db2.gz XIGATNUONASPPG-CYBMUJFWSA-N 2 2 360.462 0.262 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001116787881 1221390371 /nfs/dbraw/zinc/39/03/71/1221390371.db2.gz ZQNSZLMQJJOLHP-UHFFFAOYSA-N 2 2 371.441 0.567 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229940283 1226041210 /nfs/dbraw/zinc/04/12/10/1226041210.db2.gz ZWSFIRQNZGZOSO-YNEHKIRRSA-N 2 2 364.450 0.122 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC001117032543 1221438647 /nfs/dbraw/zinc/43/86/47/1221438647.db2.gz ZOWQHAWEDWLCQS-UHFFFAOYSA-N 2 2 363.462 0.274 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C)c1nnnn1C ZINC001230019441 1226046183 /nfs/dbraw/zinc/04/61/83/1226046183.db2.gz ZFCGCCKSAXQISK-BPLDGKMQSA-N 2 2 360.466 0.654 20 0 FCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001117355735 1221529664 /nfs/dbraw/zinc/52/96/64/1221529664.db2.gz DBXOSDJBUVIQHZ-HOTGVXAUSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1C ZINC001230150085 1226059592 /nfs/dbraw/zinc/05/95/92/1226059592.db2.gz VUGPQPNPGWSVCC-ARFHVFGLSA-N 2 2 364.494 0.300 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3cccc(N)c3)CC2)CC1 ZINC001118487831 1221788621 /nfs/dbraw/zinc/78/86/21/1221788621.db2.gz YQRLNTCQNXCTCV-UHFFFAOYSA-N 2 2 373.501 0.560 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC001230348040 1226076982 /nfs/dbraw/zinc/07/69/82/1226076982.db2.gz QXMLSLKQBZMYHM-BZUAXINKSA-N 2 2 363.462 0.195 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)c1nnnn1CCc1ccccn1 ZINC001119651491 1221944943 /nfs/dbraw/zinc/94/49/43/1221944943.db2.gz CBOYHLZVUMJCIP-UHFFFAOYSA-N 2 2 358.494 0.773 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnnn1CCc1ccccn1 ZINC001119651491 1221944947 /nfs/dbraw/zinc/94/49/47/1221944947.db2.gz CBOYHLZVUMJCIP-UHFFFAOYSA-N 2 2 358.494 0.773 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CN1CC[NH+]1CCOCC1 ZINC001120496263 1222094923 /nfs/dbraw/zinc/09/49/23/1222094923.db2.gz ZVUUBNANTVSKTJ-MSOLQXFVSA-N 2 2 365.449 0.252 20 0 FCADLP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001121928314 1222225063 /nfs/dbraw/zinc/22/50/63/1222225063.db2.gz MPVSZAKTELRDKD-QRWLVFNGSA-N 2 2 360.502 0.795 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123696008 1222351092 /nfs/dbraw/zinc/35/10/92/1222351092.db2.gz YYZQKDCRTGEDDT-BQFCYCMXSA-N 2 2 360.506 0.936 20 0 FCADLP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123696008 1222351098 /nfs/dbraw/zinc/35/10/98/1222351098.db2.gz YYZQKDCRTGEDDT-BQFCYCMXSA-N 2 2 360.506 0.936 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452070 1222473989 /nfs/dbraw/zinc/47/39/89/1222473989.db2.gz XGGGFOJLVRKMOS-GJZGRUSLSA-N 2 2 372.510 0.356 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452070 1222473994 /nfs/dbraw/zinc/47/39/94/1222473994.db2.gz XGGGFOJLVRKMOS-GJZGRUSLSA-N 2 2 372.510 0.356 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001138466484 1222510525 /nfs/dbraw/zinc/51/05/25/1222510525.db2.gz KEPOGBIPSUBFBR-UHFFFAOYSA-N 2 2 360.418 0.220 20 0 FCADLP CC1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000832317388 1222526902 /nfs/dbraw/zinc/52/69/02/1222526902.db2.gz GPFKVVPGDYAJCJ-PMACEKPBSA-N 3 2 368.566 0.154 20 0 FCADLP CC1CN(C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000832317388 1222526905 /nfs/dbraw/zinc/52/69/05/1222526905.db2.gz GPFKVVPGDYAJCJ-PMACEKPBSA-N 3 2 368.566 0.154 20 0 FCADLP CN1C[C@@H]2C[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@@H]2C1=O ZINC001139763208 1222557894 /nfs/dbraw/zinc/55/78/94/1222557894.db2.gz DGIBFAWIORQRPD-MJGOQNOKSA-N 2 2 359.470 0.918 20 0 FCADLP CN1C[C@@H]2C[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@@H]2C1=O ZINC001139763208 1222557899 /nfs/dbraw/zinc/55/78/99/1222557899.db2.gz DGIBFAWIORQRPD-MJGOQNOKSA-N 2 2 359.470 0.918 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccnc(F)c3)CC2)C1=O ZINC001139831860 1222559977 /nfs/dbraw/zinc/55/99/77/1222559977.db2.gz GQSBUPLHQZLPTA-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccnc(F)c3)CC2)C1=O ZINC001139831860 1222559983 /nfs/dbraw/zinc/55/99/83/1222559983.db2.gz GQSBUPLHQZLPTA-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4nccnc4N)C3)O2)CC1 ZINC001140014586 1222564824 /nfs/dbraw/zinc/56/48/24/1222564824.db2.gz MTQFVHGMFFVEHK-VQIMIIECSA-N 2 2 360.506 0.820 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4nccnc4N)C3)O2)CC1 ZINC001140014586 1222564831 /nfs/dbraw/zinc/56/48/31/1222564831.db2.gz MTQFVHGMFFVEHK-VQIMIIECSA-N 2 2 360.506 0.820 20 0 FCADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)c[nH+]1 ZINC001232459323 1226153189 /nfs/dbraw/zinc/15/31/89/1226153189.db2.gz CHZVJOZAPHHVDG-BHYGNILZSA-N 2 2 358.446 0.719 20 0 FCADLP Cc1[nH]c(C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)c[nH+]1 ZINC001232459323 1226153192 /nfs/dbraw/zinc/15/31/92/1226153192.db2.gz CHZVJOZAPHHVDG-BHYGNILZSA-N 2 2 358.446 0.719 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccoc3CC(N)=O)CC2)CC1 ZINC001142468488 1222830070 /nfs/dbraw/zinc/83/00/70/1222830070.db2.gz WXCXRQLXNNHGHT-UHFFFAOYSA-N 2 2 362.474 0.940 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccoc3CC(N)=O)CC2)CC1 ZINC001142468488 1222830072 /nfs/dbraw/zinc/83/00/72/1222830072.db2.gz WXCXRQLXNNHGHT-UHFFFAOYSA-N 2 2 362.474 0.940 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000842057252 1222834357 /nfs/dbraw/zinc/83/43/57/1222834357.db2.gz JCHDYQJFZNBRGF-QGZVFWFLSA-N 2 2 355.442 0.945 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)[nH+]c12 ZINC000842129505 1222836134 /nfs/dbraw/zinc/83/61/34/1222836134.db2.gz XRBDMWWWHLOUIQ-UHFFFAOYSA-N 2 2 369.469 0.904 20 0 FCADLP CCCCCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477192 1222847945 /nfs/dbraw/zinc/84/79/45/1222847945.db2.gz NWKAAZOUYXVPGH-IRXDYDNUSA-N 2 2 365.522 0.903 20 0 FCADLP CCCCCCNC(=O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477192 1222847948 /nfs/dbraw/zinc/84/79/48/1222847948.db2.gz NWKAAZOUYXVPGH-IRXDYDNUSA-N 2 2 365.522 0.903 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000842476322 1222848160 /nfs/dbraw/zinc/84/81/60/1222848160.db2.gz LRSQMNUROKJITO-VNHYZAJKSA-N 2 2 365.478 0.639 20 0 FCADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000842480654 1222848307 /nfs/dbraw/zinc/84/83/07/1222848307.db2.gz XOJLSIATWBWAPV-UHFFFAOYSA-N 2 2 362.474 0.797 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246767 1222862714 /nfs/dbraw/zinc/86/27/14/1222862714.db2.gz AIIFTQCXBXRTLR-NCOADZHNSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246767 1222862719 /nfs/dbraw/zinc/86/27/19/1222862719.db2.gz AIIFTQCXBXRTLR-NCOADZHNSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246767 1222862720 /nfs/dbraw/zinc/86/27/20/1222862720.db2.gz AIIFTQCXBXRTLR-NCOADZHNSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246767 1222862722 /nfs/dbraw/zinc/86/27/22/1222862722.db2.gz AIIFTQCXBXRTLR-NCOADZHNSA-N 2 2 368.522 0.495 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000843260574 1222867637 /nfs/dbraw/zinc/86/76/37/1222867637.db2.gz XYCKABICXGUMSB-UHFFFAOYSA-N 3 2 367.538 0.297 20 0 FCADLP C[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1C[NH3+] ZINC000843353889 1222872390 /nfs/dbraw/zinc/87/23/90/1222872390.db2.gz QBSQNIMPCZONNR-ZIAGYGMSSA-N 2 2 365.478 0.722 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1C[NH3+] ZINC000843353889 1222872391 /nfs/dbraw/zinc/87/23/91/1222872391.db2.gz QBSQNIMPCZONNR-ZIAGYGMSSA-N 2 2 365.478 0.722 20 0 FCADLP Nc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001277704855 1226165159 /nfs/dbraw/zinc/16/51/59/1226165159.db2.gz LPUYWSXPRALXFW-SFHVURJKSA-N 2 2 356.430 0.364 20 0 FCADLP Nc1ccc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001277704855 1226165164 /nfs/dbraw/zinc/16/51/64/1226165164.db2.gz LPUYWSXPRALXFW-SFHVURJKSA-N 2 2 356.430 0.364 20 0 FCADLP CC[N@H+](CC(=O)NCC1CCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997953 1222998132 /nfs/dbraw/zinc/99/81/32/1222998132.db2.gz GHVPNKZUYLTNGL-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@@H+](CC(=O)NCC1CCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997953 1222998139 /nfs/dbraw/zinc/99/81/39/1222998139.db2.gz GHVPNKZUYLTNGL-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+](CC(=O)NCC1CCC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997953 1222998142 /nfs/dbraw/zinc/99/81/42/1222998142.db2.gz GHVPNKZUYLTNGL-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP COC(=O)C1CCN(c2cc[nH+]c(N[C@@H](C)CN3CC[NH2+]CC3)n2)CC1 ZINC001154752073 1223017734 /nfs/dbraw/zinc/01/77/34/1223017734.db2.gz MLWCOQCBDSMUPQ-AWEZNQCLSA-N 2 2 362.478 0.572 20 0 FCADLP C(Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527291 1223037410 /nfs/dbraw/zinc/03/74/10/1223037410.db2.gz VTZMDISRGQWIOC-BZUAXINKSA-N 2 2 373.505 0.530 20 0 FCADLP C1CCN(c2nc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc(N3CCCC3)[nH+]2)C1 ZINC001155627413 1223040436 /nfs/dbraw/zinc/04/04/36/1223040436.db2.gz ZWARILSJYGMFKW-KXBFYZLASA-N 2 2 373.505 0.817 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922497 1223060673 /nfs/dbraw/zinc/06/06/73/1223060673.db2.gz HDNDHKISMMJKPF-BWTSREIZSA-N 2 2 368.522 0.044 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922497 1223060676 /nfs/dbraw/zinc/06/06/76/1223060676.db2.gz HDNDHKISMMJKPF-BWTSREIZSA-N 2 2 368.522 0.044 20 0 FCADLP CC(=O)NC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922497 1223060680 /nfs/dbraw/zinc/06/06/80/1223060680.db2.gz HDNDHKISMMJKPF-BWTSREIZSA-N 2 2 368.522 0.044 20 0 FCADLP CC(=O)NC[C@H]1CCC[NH+](C[C@H](O)C[N@H+]2CCC[C@@H](CNC(C)=O)C2)C1 ZINC000245922497 1223060684 /nfs/dbraw/zinc/06/06/84/1223060684.db2.gz HDNDHKISMMJKPF-BWTSREIZSA-N 2 2 368.522 0.044 20 0 FCADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC001157351837 1223074867 /nfs/dbraw/zinc/07/48/67/1223074867.db2.gz CVMAGFDTDAWGEG-KRWDZBQOSA-N 2 2 362.474 0.492 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001157999755 1223086320 /nfs/dbraw/zinc/08/63/20/1223086320.db2.gz UDUJNXFEBVYQQI-IAGOWNOFSA-N 2 2 373.453 0.700 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001158006397 1223086496 /nfs/dbraw/zinc/08/64/96/1223086496.db2.gz LFGHSJSCCFARKF-SYNHAJSKSA-N 2 2 372.469 0.076 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001158256380 1223091856 /nfs/dbraw/zinc/09/18/56/1223091856.db2.gz IEXDHRVWTCCTEE-BZUAXINKSA-N 2 2 359.474 0.528 20 0 FCADLP COC(=O)c1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1C(=O)OC ZINC001158258578 1223092389 /nfs/dbraw/zinc/09/23/89/1223092389.db2.gz CRKYUDJMYXNKRA-LBPRGKRZSA-N 2 2 362.430 0.657 20 0 FCADLP COC(=O)c1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1C(=O)OC ZINC001158258578 1223092391 /nfs/dbraw/zinc/09/23/91/1223092391.db2.gz CRKYUDJMYXNKRA-LBPRGKRZSA-N 2 2 362.430 0.657 20 0 FCADLP CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]([NH3+])C[NH2+]4)C[C@H]3O2)n1 ZINC001158645207 1223104062 /nfs/dbraw/zinc/10/40/62/1223104062.db2.gz CPNHVHPASIVFTI-XPYWIHLFSA-N 2 2 359.474 0.968 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158822723 1223110680 /nfs/dbraw/zinc/11/06/80/1223110680.db2.gz ZBZJDEBHVVHHBH-SJCJKPOMSA-N 2 2 374.445 0.294 20 0 FCADLP CC(C)Oc1ncnc2c1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CC2 ZINC001158958840 1223113590 /nfs/dbraw/zinc/11/35/90/1223113590.db2.gz LBNVVGIMLOOFOH-HNNXBMFYSA-N 2 2 358.446 0.495 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935543 1223113703 /nfs/dbraw/zinc/11/37/03/1223113703.db2.gz VQVPLXSSKMBGMA-HRCADAONSA-N 2 2 354.414 0.077 20 0 FCADLP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001158959086 1223114236 /nfs/dbraw/zinc/11/42/36/1223114236.db2.gz OUGCJCMJFJVKHE-VFVRVIDISA-N 2 2 361.446 0.262 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)C1 ZINC001159030765 1223115628 /nfs/dbraw/zinc/11/56/28/1223115628.db2.gz VBLLGTQDJPTHOV-HOCLYGCPSA-N 2 2 357.458 0.112 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)C1 ZINC001159057287 1223116333 /nfs/dbraw/zinc/11/63/33/1223116333.db2.gz BDVSKSHUZAEOKU-HOCLYGCPSA-N 2 2 358.442 0.100 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001159076224 1223116742 /nfs/dbraw/zinc/11/67/42/1223116742.db2.gz HDAISQCXHKOGHT-QFBILLFUSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001159075255 1223116893 /nfs/dbraw/zinc/11/68/93/1223116893.db2.gz FLCCGPDNPQMVAP-GJYPPUQNSA-N 2 2 367.490 0.631 20 0 FCADLP O=C(N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159192190 1223120038 /nfs/dbraw/zinc/12/00/38/1223120038.db2.gz OKNKYXQEXRPCRD-MBOZVWFJSA-N 3 2 373.501 0.467 20 0 FCADLP N[C@]1(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)CCC[NH2+]C1 ZINC001159282469 1223122550 /nfs/dbraw/zinc/12/25/50/1223122550.db2.gz BGGJKOBKYXWBHX-HNAYVOBHSA-N 2 2 370.457 0.396 20 0 FCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC1 ZINC001159381613 1223125501 /nfs/dbraw/zinc/12/55/01/1223125501.db2.gz CRHHYWWOYVHEGE-HNNXBMFYSA-N 2 2 361.490 0.945 20 0 FCADLP Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001159376152 1223125582 /nfs/dbraw/zinc/12/55/82/1223125582.db2.gz VIAWTNBUENQFSU-PVAVHDDUSA-N 2 2 370.457 0.147 20 0 FCADLP [NH3+]C1(C(=O)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC[NH2+]CC1 ZINC001159701168 1223134748 /nfs/dbraw/zinc/13/47/48/1223134748.db2.gz WEGLNTBPMGWUAD-BZUAXINKSA-N 2 2 360.458 0.547 20 0 FCADLP Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001160032924 1223142875 /nfs/dbraw/zinc/14/28/75/1223142875.db2.gz ZYFSSRCHSFKTGU-UGUYLWEFSA-N 2 2 351.454 0.732 20 0 FCADLP Cc1ccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054320 1223143243 /nfs/dbraw/zinc/14/32/43/1223143243.db2.gz ZMEDMACIVFJGSM-CRAIPNDOSA-N 3 2 374.489 0.110 20 0 FCADLP Cc1ccc(N(C(=O)[C@@H]2COCC[NH2+]2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054175 1223143351 /nfs/dbraw/zinc/14/33/51/1223143351.db2.gz YHCOEDBGFLWKFL-RVKKMQEKSA-N 2 2 361.446 0.018 20 0 FCADLP Cc1ccc(N(C(=O)[C@@H]2COCC[NH2+]2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054174 1223143511 /nfs/dbraw/zinc/14/35/11/1223143511.db2.gz YHCOEDBGFLWKFL-RLFYNMQTSA-N 2 2 361.446 0.018 20 0 FCADLP Cc1ccc(N2C[C@]3(CCN(C(=O)[C@]45C[NH2+]C[C@H]4CC[NH2+]5)C3)CC2=O)s1 ZINC001160094534 1223145325 /nfs/dbraw/zinc/14/53/25/1223145325.db2.gz OIHANPCVNFDRIG-ZMYBRWDISA-N 2 2 374.510 0.963 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160128081 1223146538 /nfs/dbraw/zinc/14/65/38/1223146538.db2.gz LLBAWAYDNKPVCA-AWEZNQCLSA-N 2 2 355.402 0.108 20 0 FCADLP O=C(N1CCC2(CC1)Cc1ccccc1CNC2=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160156443 1223146934 /nfs/dbraw/zinc/14/69/34/1223146934.db2.gz PWIRVSBZPWPGQB-LAUBAEHRSA-N 2 2 368.481 0.419 20 0 FCADLP O=C(N1CCc2onc(COc3ccccn3)c2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160179971 1223147998 /nfs/dbraw/zinc/14/79/98/1223147998.db2.gz PVWHFQFFJVALJU-DJJJIMSYSA-N 2 2 369.425 0.485 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001160322404 1223154440 /nfs/dbraw/zinc/15/44/40/1223154440.db2.gz BSICTHZSAUVNGN-DOXZYTNZSA-N 2 2 374.489 0.174 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cnnn3C)CC2)O1 ZINC001160478831 1223162062 /nfs/dbraw/zinc/16/20/62/1223162062.db2.gz AGLQVYYHTWZMLG-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cnnn3C)CC2)O1 ZINC001160478831 1223162067 /nfs/dbraw/zinc/16/20/67/1223162067.db2.gz AGLQVYYHTWZMLG-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](Cc3cnnn3C)CC2)O1 ZINC001160478831 1223162070 /nfs/dbraw/zinc/16/20/70/1223162070.db2.gz AGLQVYYHTWZMLG-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](Cc3cnnn3C)CC2)O1 ZINC001160478831 1223162073 /nfs/dbraw/zinc/16/20/73/1223162073.db2.gz AGLQVYYHTWZMLG-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001160695876 1223168776 /nfs/dbraw/zinc/16/87/76/1223168776.db2.gz IQBMVBKGEXOUKA-AWEZNQCLSA-N 2 2 360.418 0.537 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160692843 1223168850 /nfs/dbraw/zinc/16/88/50/1223168850.db2.gz FPXCOTVQJVEIIB-CVEARBPZSA-N 2 2 355.442 0.802 20 0 FCADLP C1C[C@H](Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]([NH+]2CCOCC2)C1 ZINC001160724505 1223169655 /nfs/dbraw/zinc/16/96/55/1223169655.db2.gz LRAGRKPSJLQYPP-RDJZCZTQSA-N 2 2 374.489 0.582 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN(C)c3cccc[nH+]3)C[C@H]1C2 ZINC001160790480 1223172441 /nfs/dbraw/zinc/17/24/41/1223172441.db2.gz PTFFWFOAJZCRIC-GJRWTSMGSA-N 2 2 358.442 0.375 20 0 FCADLP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160825504 1223175862 /nfs/dbraw/zinc/17/58/62/1223175862.db2.gz ARWZSJLQDPTZKX-HOCLYGCPSA-N 2 2 357.414 0.671 20 0 FCADLP CCO[C@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160857923 1223178414 /nfs/dbraw/zinc/17/84/14/1223178414.db2.gz RYRVEPWKNZZIFJ-MGPQQGTHSA-N 2 2 369.466 0.482 20 0 FCADLP CCO[C@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160857923 1223178415 /nfs/dbraw/zinc/17/84/15/1223178415.db2.gz RYRVEPWKNZZIFJ-MGPQQGTHSA-N 2 2 369.466 0.482 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160906133 1223180560 /nfs/dbraw/zinc/18/05/60/1223180560.db2.gz ZQJHZWHTORVKNP-HNNXBMFYSA-N 2 2 367.413 0.248 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1c1ccc(F)cc1 ZINC001161085497 1223184748 /nfs/dbraw/zinc/18/47/48/1223184748.db2.gz ZMKLOAAYBMGOEQ-INJPQVFBSA-N 2 2 361.417 0.763 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001161137931 1223186610 /nfs/dbraw/zinc/18/66/10/1223186610.db2.gz IJPRPVRFWCAOMI-HNAYVOBHSA-N 2 2 363.458 0.837 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CC2(c3ccccc3F)CC[NH2+]CC2)C1 ZINC001161138463 1223187103 /nfs/dbraw/zinc/18/71/03/1223187103.db2.gz AUKBWBKIERQCDG-IBGZPJMESA-N 2 2 363.433 0.940 20 0 FCADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001161145252 1223187190 /nfs/dbraw/zinc/18/71/90/1223187190.db2.gz ABVSXAZSJIQSMN-QZTJIDSGSA-N 2 2 374.485 0.166 20 0 FCADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001161145252 1223187192 /nfs/dbraw/zinc/18/71/92/1223187192.db2.gz ABVSXAZSJIQSMN-QZTJIDSGSA-N 2 2 374.485 0.166 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239210 1223191368 /nfs/dbraw/zinc/19/13/68/1223191368.db2.gz YEHSGGRDEPLHBK-NVXWUHKLSA-N 2 2 356.426 0.420 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239210 1223191371 /nfs/dbraw/zinc/19/13/71/1223191371.db2.gz YEHSGGRDEPLHBK-NVXWUHKLSA-N 2 2 356.426 0.420 20 0 FCADLP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161328940 1223196104 /nfs/dbraw/zinc/19/61/04/1223196104.db2.gz OIEPAGZSSIGZTF-OXJNMPFZSA-N 2 2 356.470 0.701 20 0 FCADLP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)cc1 ZINC001161379814 1223196923 /nfs/dbraw/zinc/19/69/23/1223196923.db2.gz QRKAZNAHPZWTER-HKUYNNGSSA-N 3 2 360.502 0.979 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379923 1223197967 /nfs/dbraw/zinc/19/79/67/1223197967.db2.gz RWBVBTIJDXLOEL-LPHOPBHVSA-N 4 2 363.550 0.474 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379923 1223197970 /nfs/dbraw/zinc/19/79/70/1223197970.db2.gz RWBVBTIJDXLOEL-LPHOPBHVSA-N 4 2 363.550 0.474 20 0 FCADLP O=C(N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161457250 1223199634 /nfs/dbraw/zinc/19/96/34/1223199634.db2.gz QMAZSHLPHAQTQS-FOIQADDNSA-N 2 2 354.454 0.416 20 0 FCADLP CN1CCN(c2cc(NCC[C@H]3C[NH2+]Cc4cccn4C3)[nH+]cn2)CC1=O ZINC001163056814 1223225190 /nfs/dbraw/zinc/22/51/90/1223225190.db2.gz JUZUNVRTMYWQHS-HNNXBMFYSA-N 2 2 369.473 0.778 20 0 FCADLP CN1CCN(c2cc(NCC[C@H]3C[NH2+]Cc4cccn4C3)nc[nH+]2)CC1=O ZINC001163056814 1223225191 /nfs/dbraw/zinc/22/51/91/1223225191.db2.gz JUZUNVRTMYWQHS-HNNXBMFYSA-N 2 2 369.473 0.778 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ncc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163095869 1223225469 /nfs/dbraw/zinc/22/54/69/1223225469.db2.gz NBEREJXBACKENX-INIZCTEOSA-N 2 2 362.474 0.973 20 0 FCADLP C[NH+]1CCN(c2ccc(N3CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001163117075 1223225999 /nfs/dbraw/zinc/22/59/99/1223225999.db2.gz AVMKAPBARZQTPR-MRXNPFEDSA-N 2 2 362.478 0.334 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)[nH+]cn1 ZINC001163135328 1223227281 /nfs/dbraw/zinc/22/72/81/1223227281.db2.gz CPGVECURNLPYKO-INIZCTEOSA-N 2 2 369.473 0.477 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)nc[nH+]1 ZINC001163135328 1223227282 /nfs/dbraw/zinc/22/72/82/1223227282.db2.gz CPGVECURNLPYKO-INIZCTEOSA-N 2 2 369.473 0.477 20 0 FCADLP CCOC(=O)c1cn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)nc1C[NH3+] ZINC001163520890 1223231934 /nfs/dbraw/zinc/23/19/34/1223231934.db2.gz VAPQHEMOCRDGOI-UHFFFAOYSA-N 2 2 373.417 0.102 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc[nH+]1 ZINC001164627678 1223240792 /nfs/dbraw/zinc/24/07/92/1223240792.db2.gz VACWPKWVUYJNMX-IAGOWNOFSA-N 2 2 366.469 0.952 20 0 FCADLP C1CCN(c2nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)nc(N3CCCC3)[nH+]2)C1 ZINC001165292467 1223244570 /nfs/dbraw/zinc/24/45/70/1223244570.db2.gz OUZJUUACRLINSB-HZPDHXFCSA-N 2 2 373.505 0.887 20 0 FCADLP C1CCN(c2nc(N3CCCC3)[nH+]c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)n2)C1 ZINC001165292467 1223244572 /nfs/dbraw/zinc/24/45/72/1223244572.db2.gz OUZJUUACRLINSB-HZPDHXFCSA-N 2 2 373.505 0.887 20 0 FCADLP CCn1nnc2c1[C@H](COC)CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001165525289 1223247324 /nfs/dbraw/zinc/24/73/24/1223247324.db2.gz NDGSJOGRZLDGFE-AWEZNQCLSA-N 2 2 357.462 0.853 20 0 FCADLP O=C(NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001165594248 1223249611 /nfs/dbraw/zinc/24/96/11/1223249611.db2.gz WSBUVUCDRSAGGC-UPJWGTAASA-N 2 2 359.430 0.195 20 0 FCADLP O=C(NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001165594248 1223249615 /nfs/dbraw/zinc/24/96/15/1223249615.db2.gz WSBUVUCDRSAGGC-UPJWGTAASA-N 2 2 359.430 0.195 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000977922129 1248677438 /nfs/dbraw/zinc/67/74/38/1248677438.db2.gz DFKOCOYHISRLKW-XNRPHZJLSA-N 2 2 363.462 0.039 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000977922129 1248677451 /nfs/dbraw/zinc/67/74/51/1248677451.db2.gz DFKOCOYHISRLKW-XNRPHZJLSA-N 2 2 363.462 0.039 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001207750491 1223476319 /nfs/dbraw/zinc/47/63/19/1223476319.db2.gz SBKSPEKVNBCFHI-OWCLPIDISA-N 2 2 368.522 0.306 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001207750491 1223476321 /nfs/dbraw/zinc/47/63/21/1223476321.db2.gz SBKSPEKVNBCFHI-OWCLPIDISA-N 2 2 368.522 0.306 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001207750491 1223476324 /nfs/dbraw/zinc/47/63/24/1223476324.db2.gz SBKSPEKVNBCFHI-OWCLPIDISA-N 2 2 368.522 0.306 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCOC2)C[C@H]1C ZINC001207750491 1223476327 /nfs/dbraw/zinc/47/63/27/1223476327.db2.gz SBKSPEKVNBCFHI-OWCLPIDISA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001207862310 1223486720 /nfs/dbraw/zinc/48/67/20/1223486720.db2.gz DQICHDGZVBRHAT-HLLBOEOZSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)C1CC1 ZINC001207862310 1223486725 /nfs/dbraw/zinc/48/67/25/1223486725.db2.gz DQICHDGZVBRHAT-HLLBOEOZSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCn2cc[nH+]c2)O1 ZINC000977936966 1248684319 /nfs/dbraw/zinc/68/43/19/1248684319.db2.gz GQFTXRMSJGZOHD-BZUAXINKSA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCn2cc[nH+]c2)O1 ZINC000977936966 1248684325 /nfs/dbraw/zinc/68/43/25/1248684325.db2.gz GQFTXRMSJGZOHD-BZUAXINKSA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207988766 1223503945 /nfs/dbraw/zinc/50/39/45/1223503945.db2.gz UYDQOXSIUPYZSM-CXAGYDPISA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001207988766 1223503949 /nfs/dbraw/zinc/50/39/49/1223503949.db2.gz UYDQOXSIUPYZSM-CXAGYDPISA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001208422422 1223542903 /nfs/dbraw/zinc/54/29/03/1223542903.db2.gz PCPVBINPCRSRBZ-CZUORRHYSA-N 2 2 362.474 0.918 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001208422422 1223542906 /nfs/dbraw/zinc/54/29/06/1223542906.db2.gz PCPVBINPCRSRBZ-CZUORRHYSA-N 2 2 362.474 0.918 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208444974 1223546264 /nfs/dbraw/zinc/54/62/64/1223546264.db2.gz MTLXPSKNNWGXTJ-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208444974 1223546265 /nfs/dbraw/zinc/54/62/65/1223546265.db2.gz MTLXPSKNNWGXTJ-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208677228 1223569501 /nfs/dbraw/zinc/56/95/01/1223569501.db2.gz XTRQYOSMIPVTTR-NXHRZFHOSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208677228 1223569509 /nfs/dbraw/zinc/56/95/09/1223569509.db2.gz XTRQYOSMIPVTTR-NXHRZFHOSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001208677228 1223569516 /nfs/dbraw/zinc/56/95/16/1223569516.db2.gz XTRQYOSMIPVTTR-NXHRZFHOSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001208677228 1223569523 /nfs/dbraw/zinc/56/95/23/1223569523.db2.gz XTRQYOSMIPVTTR-NXHRZFHOSA-N 2 2 358.486 0.486 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C)[NH+](C)C ZINC001208698511 1223571156 /nfs/dbraw/zinc/57/11/56/1223571156.db2.gz ASFCPMFDQYZNKE-OIISXLGYSA-N 2 2 361.490 0.475 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C)[NH+](C)C ZINC001208698511 1223571160 /nfs/dbraw/zinc/57/11/60/1223571160.db2.gz ASFCPMFDQYZNKE-OIISXLGYSA-N 2 2 361.490 0.475 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCCN(CC[NH+]1CCCC1)C2 ZINC001276610964 1223594839 /nfs/dbraw/zinc/59/48/39/1223594839.db2.gz HJGICUOTBGODBC-IBGZPJMESA-N 2 2 361.490 0.567 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506639 1223626065 /nfs/dbraw/zinc/62/60/65/1223626065.db2.gz ONQDSYJDPINEMZ-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506639 1223626068 /nfs/dbraw/zinc/62/60/68/1223626068.db2.gz ONQDSYJDPINEMZ-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)ccn1 ZINC001209506448 1223626605 /nfs/dbraw/zinc/62/66/05/1223626605.db2.gz KVKUBPPFHLXNEW-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)ccn1 ZINC001209506448 1223626606 /nfs/dbraw/zinc/62/66/06/1223626606.db2.gz KVKUBPPFHLXNEW-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514396 1223626963 /nfs/dbraw/zinc/62/69/63/1223626963.db2.gz JUGTZCRPNDOOKJ-NVXWUHKLSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514396 1223626969 /nfs/dbraw/zinc/62/69/69/1223626969.db2.gz JUGTZCRPNDOOKJ-NVXWUHKLSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)C(C)C ZINC001209585628 1223632874 /nfs/dbraw/zinc/63/28/74/1223632874.db2.gz NHRKJLYCGZZJNY-IIAWOOMASA-N 2 2 366.510 0.411 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)C(C)C ZINC001209585628 1223632878 /nfs/dbraw/zinc/63/28/78/1223632878.db2.gz NHRKJLYCGZZJNY-IIAWOOMASA-N 2 2 366.510 0.411 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001209700592 1223641916 /nfs/dbraw/zinc/64/19/16/1223641916.db2.gz WGAPEBGVTDLJNY-ARFHVFGLSA-N 2 2 359.474 0.630 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001209836988 1223652723 /nfs/dbraw/zinc/65/27/23/1223652723.db2.gz UCAFSBOTTOGEAJ-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001209836988 1223652727 /nfs/dbraw/zinc/65/27/27/1223652727.db2.gz UCAFSBOTTOGEAJ-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP O=C(C[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1)N1CCCC1 ZINC001276678705 1223667945 /nfs/dbraw/zinc/66/79/45/1223667945.db2.gz OFYOQNMLPULKJV-UHFFFAOYSA-N 2 2 359.474 0.820 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210605757 1223699799 /nfs/dbraw/zinc/69/97/99/1223699799.db2.gz VJMFTJVLTWPRHF-IUODEOHRSA-N 2 2 364.494 0.795 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001210605757 1223699803 /nfs/dbraw/zinc/69/98/03/1223699803.db2.gz VJMFTJVLTWPRHF-IUODEOHRSA-N 2 2 364.494 0.795 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717138 1223704735 /nfs/dbraw/zinc/70/47/35/1223704735.db2.gz ATZVOTFAIFTFTP-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717138 1223704737 /nfs/dbraw/zinc/70/47/37/1223704737.db2.gz ATZVOTFAIFTFTP-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369355 1223737825 /nfs/dbraw/zinc/73/78/25/1223737825.db2.gz GLSKNJNVHRNRGC-QLFBSQMISA-N 2 2 362.478 0.580 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369355 1223737829 /nfs/dbraw/zinc/73/78/29/1223737829.db2.gz GLSKNJNVHRNRGC-QLFBSQMISA-N 2 2 362.478 0.580 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369355 1223737831 /nfs/dbraw/zinc/73/78/31/1223737831.db2.gz GLSKNJNVHRNRGC-QLFBSQMISA-N 2 2 362.478 0.580 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001211369355 1223737834 /nfs/dbraw/zinc/73/78/34/1223737834.db2.gz GLSKNJNVHRNRGC-QLFBSQMISA-N 2 2 362.478 0.580 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167867 1223762354 /nfs/dbraw/zinc/76/23/54/1223762354.db2.gz NLFRSNBOQAUVLO-ARFHVFGLSA-N 2 2 365.478 0.312 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167867 1223762360 /nfs/dbraw/zinc/76/23/60/1223762360.db2.gz NLFRSNBOQAUVLO-ARFHVFGLSA-N 2 2 365.478 0.312 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322104 1223784366 /nfs/dbraw/zinc/78/43/66/1223784366.db2.gz BAVTWBIFIKDFLK-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322104 1223784367 /nfs/dbraw/zinc/78/43/67/1223784367.db2.gz BAVTWBIFIKDFLK-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322104 1223784368 /nfs/dbraw/zinc/78/43/68/1223784368.db2.gz BAVTWBIFIKDFLK-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322104 1223784369 /nfs/dbraw/zinc/78/43/69/1223784369.db2.gz BAVTWBIFIKDFLK-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)cn1 ZINC001213340268 1223787976 /nfs/dbraw/zinc/78/79/76/1223787976.db2.gz ZLDLDUHYFCMFNB-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)cn1 ZINC001213340268 1223787979 /nfs/dbraw/zinc/78/79/79/1223787979.db2.gz ZLDLDUHYFCMFNB-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348855 1223789167 /nfs/dbraw/zinc/78/91/67/1223789167.db2.gz XJXSZWXSLOSBIT-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348855 1223789172 /nfs/dbraw/zinc/78/91/72/1223789172.db2.gz XJXSZWXSLOSBIT-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348666 1223789290 /nfs/dbraw/zinc/78/92/90/1223789290.db2.gz QWKWYIMMFHAGQJ-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348666 1223789291 /nfs/dbraw/zinc/78/92/91/1223789291.db2.gz QWKWYIMMFHAGQJ-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374493 1223791623 /nfs/dbraw/zinc/79/16/23/1223791623.db2.gz JADWBEHSUPTNSO-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374493 1223791626 /nfs/dbraw/zinc/79/16/26/1223791626.db2.gz JADWBEHSUPTNSO-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434619 1223798110 /nfs/dbraw/zinc/79/81/10/1223798110.db2.gz JBXMLDSXFBFOBT-BRWVUGGUSA-N 2 2 370.538 0.789 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434619 1223798112 /nfs/dbraw/zinc/79/81/12/1223798112.db2.gz JBXMLDSXFBFOBT-BRWVUGGUSA-N 2 2 370.538 0.789 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC)[NH+](C)C ZINC001213457726 1223801133 /nfs/dbraw/zinc/80/11/33/1223801133.db2.gz BRUWGGOJIHPQFP-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC)[NH+](C)C ZINC001213457726 1223801136 /nfs/dbraw/zinc/80/11/36/1223801136.db2.gz BRUWGGOJIHPQFP-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC)C(C)C ZINC001213592725 1223819164 /nfs/dbraw/zinc/81/91/64/1223819164.db2.gz DAUVCVQTWNUUAB-JFIYKMOQSA-N 2 2 368.522 0.447 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC)C(C)C ZINC001213592725 1223819166 /nfs/dbraw/zinc/81/91/66/1223819166.db2.gz DAUVCVQTWNUUAB-JFIYKMOQSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747847 1223843572 /nfs/dbraw/zinc/84/35/72/1223843572.db2.gz SXYAAUVYUWUUDB-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747847 1223843573 /nfs/dbraw/zinc/84/35/73/1223843573.db2.gz SXYAAUVYUWUUDB-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP O=C1CC[C@H](CN2C(=O)C[C@]3(CCC[N@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704869 1223843937 /nfs/dbraw/zinc/84/39/37/1223843937.db2.gz JDJQPUSXGXWSTQ-KDOFPFPSSA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@H](CN2C(=O)C[C@]3(CCC[N@@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704869 1223843939 /nfs/dbraw/zinc/84/39/39/1223843939.db2.gz JDJQPUSXGXWSTQ-KDOFPFPSSA-N 2 2 359.430 0.003 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767433 1223846489 /nfs/dbraw/zinc/84/64/89/1223846489.db2.gz SPXZGCATTPSTCK-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767433 1223846492 /nfs/dbraw/zinc/84/64/92/1223846492.db2.gz SPXZGCATTPSTCK-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767433 1223846496 /nfs/dbraw/zinc/84/64/96/1223846496.db2.gz SPXZGCATTPSTCK-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767433 1223846497 /nfs/dbraw/zinc/84/64/97/1223846497.db2.gz SPXZGCATTPSTCK-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802454 1223852918 /nfs/dbraw/zinc/85/29/18/1223852918.db2.gz SUEVZAYTDAHORV-IAGOWNOFSA-N 2 2 360.462 0.144 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802454 1223852919 /nfs/dbraw/zinc/85/29/19/1223852919.db2.gz SUEVZAYTDAHORV-IAGOWNOFSA-N 2 2 360.462 0.144 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213857019 1223861668 /nfs/dbraw/zinc/86/16/68/1223861668.db2.gz FBCADCDYHADNMP-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213857019 1223861669 /nfs/dbraw/zinc/86/16/69/1223861669.db2.gz FBCADCDYHADNMP-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213857019 1223861670 /nfs/dbraw/zinc/86/16/70/1223861670.db2.gz FBCADCDYHADNMP-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213857019 1223861672 /nfs/dbraw/zinc/86/16/72/1223861672.db2.gz FBCADCDYHADNMP-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860138 1223862738 /nfs/dbraw/zinc/86/27/38/1223862738.db2.gz TZZIITIRKJAVNU-BPLDGKMQSA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860138 1223862741 /nfs/dbraw/zinc/86/27/41/1223862741.db2.gz TZZIITIRKJAVNU-BPLDGKMQSA-N 2 2 365.478 0.310 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863176 1223864183 /nfs/dbraw/zinc/86/41/83/1223864183.db2.gz GMXQYXLYSIHMAA-KBAYOESNSA-N 2 2 369.506 0.197 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863176 1223864184 /nfs/dbraw/zinc/86/41/84/1223864184.db2.gz GMXQYXLYSIHMAA-KBAYOESNSA-N 2 2 369.506 0.197 20 0 FCADLP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276706141 1223866732 /nfs/dbraw/zinc/86/67/32/1223866732.db2.gz YPWUYWMIRAZVHO-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cncc1CN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276706141 1223866733 /nfs/dbraw/zinc/86/67/33/1223866733.db2.gz YPWUYWMIRAZVHO-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921547 1223872954 /nfs/dbraw/zinc/87/29/54/1223872954.db2.gz DCBKXZLWYRPWKT-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921547 1223872958 /nfs/dbraw/zinc/87/29/58/1223872958.db2.gz DCBKXZLWYRPWKT-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)Nc4ccon4)C[C@H]32)CC[N@@H+]1C ZINC000978161432 1248710786 /nfs/dbraw/zinc/71/07/86/1248710786.db2.gz XVJWWDJWWJRAKR-RYPNDVFKSA-N 2 2 361.446 0.247 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)Nc4ccon4)C[C@H]32)CC[N@H+]1C ZINC000978161432 1248710791 /nfs/dbraw/zinc/71/07/91/1248710791.db2.gz XVJWWDJWWJRAKR-RYPNDVFKSA-N 2 2 361.446 0.247 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)Nc4ccon4)C[C@H]32)CC[NH+]1C ZINC000978161432 1248710799 /nfs/dbraw/zinc/71/07/99/1248710799.db2.gz XVJWWDJWWJRAKR-RYPNDVFKSA-N 2 2 361.446 0.247 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)Nc4ccon4)C[C@H]32)CC[NH+]1C ZINC000978161432 1248710808 /nfs/dbraw/zinc/71/08/08/1248710808.db2.gz XVJWWDJWWJRAKR-RYPNDVFKSA-N 2 2 361.446 0.247 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894771 1223952958 /nfs/dbraw/zinc/95/29/58/1223952958.db2.gz QMDIOGWBJMHQSR-IXYNUQLISA-N 2 2 362.478 0.657 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894771 1223952961 /nfs/dbraw/zinc/95/29/61/1223952961.db2.gz QMDIOGWBJMHQSR-IXYNUQLISA-N 2 2 362.478 0.657 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214986680 1223961595 /nfs/dbraw/zinc/96/15/95/1223961595.db2.gz PLTQVGSAJCBUPX-FRFSOERESA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215008422 1223963445 /nfs/dbraw/zinc/96/34/45/1223963445.db2.gz NNMBGUSBBPDUMD-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215226252 1223983608 /nfs/dbraw/zinc/98/36/08/1223983608.db2.gz HHNCFHVRTMVHSP-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001215226837 1223983792 /nfs/dbraw/zinc/98/37/92/1223983792.db2.gz UJJPIDFWHATUAB-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001215415580 1223998255 /nfs/dbraw/zinc/99/82/55/1223998255.db2.gz AZRHSSKHPSNYPT-ZIAGYGMSSA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001215421840 1223998962 /nfs/dbraw/zinc/99/89/62/1223998962.db2.gz OUUXMHLRQJURDK-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)c1ccco1 ZINC001215681451 1224012355 /nfs/dbraw/zinc/01/23/55/1224012355.db2.gz ZZRSVNGJKLVXNQ-VNHYZAJKSA-N 2 2 359.430 0.859 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)on1 ZINC001215686093 1224012712 /nfs/dbraw/zinc/01/27/12/1224012712.db2.gz ZEPSVXKLMSLCDI-MPKXVKKWSA-N 2 2 360.418 0.712 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001215855806 1224021525 /nfs/dbraw/zinc/02/15/25/1224021525.db2.gz YNTGMZWSFDRCGP-CKEIUWERSA-N 2 2 361.490 0.893 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001215855806 1224021526 /nfs/dbraw/zinc/02/15/26/1224021526.db2.gz YNTGMZWSFDRCGP-CKEIUWERSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)n(C)n1 ZINC001216065381 1224032642 /nfs/dbraw/zinc/03/26/42/1224032642.db2.gz PFUFJZJZRFTEOT-DGCLKSJQSA-N 2 2 359.434 0.069 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001216383357 1224047996 /nfs/dbraw/zinc/04/79/96/1224047996.db2.gz KXXZQLBMHCULHB-UMVBOHGHSA-N 2 2 371.445 0.216 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001216388687 1224048309 /nfs/dbraw/zinc/04/83/09/1224048309.db2.gz VHYXGCGYPMNGCI-UKRRQHHQSA-N 2 2 364.494 0.497 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001216510948 1224053708 /nfs/dbraw/zinc/05/37/08/1224053708.db2.gz FZJUNAILOQVJFJ-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001216510948 1224053709 /nfs/dbraw/zinc/05/37/09/1224053709.db2.gz FZJUNAILOQVJFJ-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001216630542 1224059495 /nfs/dbraw/zinc/05/94/95/1224059495.db2.gz JCYRKBNUIAKJEX-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719184 1226171500 /nfs/dbraw/zinc/17/15/00/1226171500.db2.gz LBTBLTQHWOEKBX-QAPCUYQASA-N 2 2 364.446 0.159 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719184 1226171502 /nfs/dbraw/zinc/17/15/02/1226171502.db2.gz LBTBLTQHWOEKBX-QAPCUYQASA-N 2 2 364.446 0.159 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719293 1226171570 /nfs/dbraw/zinc/17/15/70/1226171570.db2.gz LXOMYFPUXPXDFT-YJBOKZPZSA-N 2 2 364.446 0.122 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277719293 1226171572 /nfs/dbraw/zinc/17/15/72/1226171572.db2.gz LXOMYFPUXPXDFT-YJBOKZPZSA-N 2 2 364.446 0.122 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978316558 1248727919 /nfs/dbraw/zinc/72/79/19/1248727919.db2.gz BCQIZRQXIQIFJB-FXXCCUJSSA-N 2 2 361.490 0.416 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978316558 1248727923 /nfs/dbraw/zinc/72/79/23/1248727923.db2.gz BCQIZRQXIQIFJB-FXXCCUJSSA-N 2 2 361.490 0.416 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978316558 1248727932 /nfs/dbraw/zinc/72/79/32/1248727932.db2.gz BCQIZRQXIQIFJB-FXXCCUJSSA-N 2 2 361.490 0.416 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978316558 1248727941 /nfs/dbraw/zinc/72/79/41/1248727941.db2.gz BCQIZRQXIQIFJB-FXXCCUJSSA-N 2 2 361.490 0.416 20 0 FCADLP Cc1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC000985494165 1248942780 /nfs/dbraw/zinc/94/27/80/1248942780.db2.gz AWFANISCQWGPTD-CRAIPNDOSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC000985494165 1248942788 /nfs/dbraw/zinc/94/27/88/1248942788.db2.gz AWFANISCQWGPTD-CRAIPNDOSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC000985494165 1248942797 /nfs/dbraw/zinc/94/27/97/1248942797.db2.gz AWFANISCQWGPTD-CRAIPNDOSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1C ZINC000985494165 1248942806 /nfs/dbraw/zinc/94/28/06/1248942806.db2.gz AWFANISCQWGPTD-CRAIPNDOSA-N 2 2 363.506 0.870 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987516668 1249070974 /nfs/dbraw/zinc/07/09/74/1249070974.db2.gz JQCFNXULXGLRSW-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987516668 1249070987 /nfs/dbraw/zinc/07/09/87/1249070987.db2.gz JQCFNXULXGLRSW-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327762309 1265417788 /nfs/dbraw/zinc/41/77/88/1265417788.db2.gz GMBRLCACGMXSBM-HNNXBMFYSA-N 2 2 357.414 0.642 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000993315435 1249458203 /nfs/dbraw/zinc/45/82/03/1249458203.db2.gz FADLKWNXMFYWKB-ZRGWGRIASA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000993315435 1249458207 /nfs/dbraw/zinc/45/82/07/1249458207.db2.gz FADLKWNXMFYWKB-ZRGWGRIASA-N 2 2 359.474 0.743 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993574398 1249716360 /nfs/dbraw/zinc/71/63/60/1249716360.db2.gz WJTUSDSNXMSGKW-GVDBMIGSSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993574398 1249716362 /nfs/dbraw/zinc/71/63/62/1249716362.db2.gz WJTUSDSNXMSGKW-GVDBMIGSSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993578960 1249727355 /nfs/dbraw/zinc/72/73/55/1249727355.db2.gz NEISJEYCZPIQLQ-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C(F)F)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993578960 1249727363 /nfs/dbraw/zinc/72/73/63/1249727363.db2.gz NEISJEYCZPIQLQ-YNEHKIRRSA-N 2 2 369.416 0.438 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993586830 1249742890 /nfs/dbraw/zinc/74/28/90/1249742890.db2.gz MUNBWKLZRSDIEY-OAGGEKHMSA-N 2 2 371.441 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000993586830 1249742899 /nfs/dbraw/zinc/74/28/99/1249742899.db2.gz MUNBWKLZRSDIEY-OAGGEKHMSA-N 2 2 371.441 0.832 20 0 FCADLP C/C=C(\C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000993599989 1249771736 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364.494 0.756 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)c3ccccc3F)C2)O1 ZINC001031764094 1253891238 /nfs/dbraw/zinc/89/12/38/1253891238.db2.gz UULSLJNIRZMKII-FSPWUOQZSA-N 2 2 365.449 0.626 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)c3ccccc3F)C2)O1 ZINC001031764094 1253891251 /nfs/dbraw/zinc/89/12/51/1253891251.db2.gz UULSLJNIRZMKII-FSPWUOQZSA-N 2 2 365.449 0.626 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001031993827 1253913101 /nfs/dbraw/zinc/91/31/01/1253913101.db2.gz ZLOZWMPBZYJTLO-MOPGFXCFSA-N 2 2 370.497 0.612 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)[C@@H](c2ccccc2)C1 ZINC001031993827 1253913116 /nfs/dbraw/zinc/91/31/16/1253913116.db2.gz ZLOZWMPBZYJTLO-MOPGFXCFSA-N 2 2 370.497 0.612 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032533181 1253929951 /nfs/dbraw/zinc/92/99/51/1253929951.db2.gz VMXQTDFRAAMQFH-OKYOBFRVSA-N 2 2 363.502 0.951 20 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CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034272346 1253983944 /nfs/dbraw/zinc/98/39/44/1253983944.db2.gz LMZXMWWUQNIAPD-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034272346 1253983948 /nfs/dbraw/zinc/98/39/48/1253983948.db2.gz LMZXMWWUQNIAPD-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034272346 1253983955 /nfs/dbraw/zinc/98/39/55/1253983955.db2.gz LMZXMWWUQNIAPD-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034272346 1253983962 /nfs/dbraw/zinc/98/39/62/1253983962.db2.gz LMZXMWWUQNIAPD-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271297 1253985281 /nfs/dbraw/zinc/98/52/81/1253985281.db2.gz HSEMMXLMQUPTIR-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271297 1253985288 /nfs/dbraw/zinc/98/52/88/1253985288.db2.gz HSEMMXLMQUPTIR-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271297 1253985294 /nfs/dbraw/zinc/98/52/94/1253985294.db2.gz HSEMMXLMQUPTIR-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001034271297 1253985300 /nfs/dbraw/zinc/98/53/00/1253985300.db2.gz HSEMMXLMQUPTIR-SOLBZPMBSA-N 2 2 363.506 0.918 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034647514 1253998937 /nfs/dbraw/zinc/99/89/37/1253998937.db2.gz RLBGZXAFNIVQQU-KLHDSHLOSA-N 2 2 359.474 0.656 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001034971238 1254012423 /nfs/dbraw/zinc/01/24/23/1254012423.db2.gz HDMXXAVJATYBPR-RBSFLKMASA-N 2 2 364.494 0.728 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001034971238 1254012430 /nfs/dbraw/zinc/01/24/30/1254012430.db2.gz HDMXXAVJATYBPR-RBSFLKMASA-N 2 2 364.494 0.728 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccn(C)c(=O)c3)CCO2)CC[N@@H+]1C ZINC001035372512 1254026691 /nfs/dbraw/zinc/02/66/91/1254026691.db2.gz ONDSOSYTXOHMCC-HYVNUMGLSA-N 2 2 362.474 0.043 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccn(C)c(=O)c3)CCO2)CC[N@H+]1C ZINC001035372512 1254026705 /nfs/dbraw/zinc/02/67/05/1254026705.db2.gz ONDSOSYTXOHMCC-HYVNUMGLSA-N 2 2 362.474 0.043 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CCO2)CC[NH+]1C ZINC001035372512 1254026715 /nfs/dbraw/zinc/02/67/15/1254026715.db2.gz ONDSOSYTXOHMCC-HYVNUMGLSA-N 2 2 362.474 0.043 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CCO2)CC[NH+]1C ZINC001035372512 1254026730 /nfs/dbraw/zinc/02/67/30/1254026730.db2.gz ONDSOSYTXOHMCC-HYVNUMGLSA-N 2 2 362.474 0.043 20 0 FCADLP C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@H]1CCNC1=O ZINC001036603796 1254067746 /nfs/dbraw/zinc/06/77/46/1254067746.db2.gz RUMAUEHLOMUFFG-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@H]1CCNC1=O ZINC001036603796 1254067752 /nfs/dbraw/zinc/06/77/52/1254067752.db2.gz RUMAUEHLOMUFFG-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@H]1CCNC1=O ZINC001036603796 1254067763 /nfs/dbraw/zinc/06/77/63/1254067763.db2.gz RUMAUEHLOMUFFG-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@H]1CCNC1=O ZINC001036603796 1254067768 /nfs/dbraw/zinc/06/77/68/1254067768.db2.gz RUMAUEHLOMUFFG-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001061758172 1254217288 /nfs/dbraw/zinc/21/72/88/1254217288.db2.gz YBCOBSUYPAXUSJ-HZSPNIEDSA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001061758172 1254217306 /nfs/dbraw/zinc/21/73/06/1254217306.db2.gz YBCOBSUYPAXUSJ-HZSPNIEDSA-N 2 2 357.462 0.646 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061897883 1254229606 /nfs/dbraw/zinc/22/96/06/1254229606.db2.gz AYRAQVHYOIXVSH-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061897883 1254229620 /nfs/dbraw/zinc/22/96/20/1254229620.db2.gz AYRAQVHYOIXVSH-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061897883 1254229628 /nfs/dbraw/zinc/22/96/28/1254229628.db2.gz AYRAQVHYOIXVSH-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061897883 1254229644 /nfs/dbraw/zinc/22/96/44/1254229644.db2.gz AYRAQVHYOIXVSH-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001062601267 1254269901 /nfs/dbraw/zinc/26/99/01/1254269901.db2.gz RDNKSTCIWCIZOD-RZLSGREXSA-N 2 2 369.473 0.883 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001062601267 1254269907 /nfs/dbraw/zinc/26/99/07/1254269907.db2.gz RDNKSTCIWCIZOD-RZLSGREXSA-N 2 2 369.473 0.883 20 0 FCADLP O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001063731624 1254385225 /nfs/dbraw/zinc/38/52/25/1254385225.db2.gz QCRPUVWEMUGDBK-ZIAGYGMSSA-N 2 2 357.458 0.764 20 0 FCADLP O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001063731624 1254385231 /nfs/dbraw/zinc/38/52/31/1254385231.db2.gz QCRPUVWEMUGDBK-ZIAGYGMSSA-N 2 2 357.458 0.764 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001064579255 1254448048 /nfs/dbraw/zinc/44/80/48/1254448048.db2.gz YXBMHGFBROCMHN-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001064579255 1254448062 /nfs/dbraw/zinc/44/80/62/1254448062.db2.gz YXBMHGFBROCMHN-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001065212777 1254495689 /nfs/dbraw/zinc/49/56/89/1254495689.db2.gz VPNDGBDBRAKDPY-SOUVJXGZSA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001065212777 1254495698 /nfs/dbraw/zinc/49/56/98/1254495698.db2.gz VPNDGBDBRAKDPY-SOUVJXGZSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C(=O)CC[NH+](C)C)CC3)C2)O1 ZINC001065714810 1254582215 /nfs/dbraw/zinc/58/22/15/1254582215.db2.gz ASWCYNZPNOIWDY-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001065713401 1254583121 /nfs/dbraw/zinc/58/31/21/1254583121.db2.gz RMHCUUMHFCLWQG-FUHIMQAGSA-N 2 2 362.518 0.873 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001077565484 1254701725 /nfs/dbraw/zinc/70/17/25/1254701725.db2.gz KVLGAFOXUHGASE-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cn1 ZINC001077565484 1254701741 /nfs/dbraw/zinc/70/17/41/1254701741.db2.gz KVLGAFOXUHGASE-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001077565484 1254701757 /nfs/dbraw/zinc/70/17/57/1254701757.db2.gz KVLGAFOXUHGASE-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001077565484 1254701777 /nfs/dbraw/zinc/70/17/77/1254701777.db2.gz KVLGAFOXUHGASE-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566858 1254703236 /nfs/dbraw/zinc/70/32/36/1254703236.db2.gz QSCJSQKBVKVFIH-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566858 1254703252 /nfs/dbraw/zinc/70/32/52/1254703252.db2.gz QSCJSQKBVKVFIH-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566858 1254703270 /nfs/dbraw/zinc/70/32/70/1254703270.db2.gz QSCJSQKBVKVFIH-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2O)C1 ZINC001077566858 1254703279 /nfs/dbraw/zinc/70/32/79/1254703279.db2.gz QSCJSQKBVKVFIH-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cncc(C)c3)C[C@H]1O)CC2 ZINC001077583950 1254736704 /nfs/dbraw/zinc/73/67/04/1254736704.db2.gz VLGQBHVWDYHKNJ-QXAKKESOSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cncc(C)c3)C[C@H]1O)CC2 ZINC001077583950 1254736714 /nfs/dbraw/zinc/73/67/14/1254736714.db2.gz VLGQBHVWDYHKNJ-QXAKKESOSA-N 2 2 369.469 0.819 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685187 1254878806 /nfs/dbraw/zinc/87/88/06/1254878806.db2.gz CSDLAOGTFURIQA-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685187 1254878815 /nfs/dbraw/zinc/87/88/15/1254878815.db2.gz CSDLAOGTFURIQA-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685187 1254878822 /nfs/dbraw/zinc/87/88/22/1254878822.db2.gz CSDLAOGTFURIQA-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685187 1254878832 /nfs/dbraw/zinc/87/88/32/1254878832.db2.gz CSDLAOGTFURIQA-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(CC[NH+](C)C)cc3)C2)cn1 ZINC001077685176 1254879537 /nfs/dbraw/zinc/87/95/37/1254879537.db2.gz CELNFGTWOWUJAU-RTBURBONSA-N 2 2 371.485 0.499 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(CC[NH+](C)C)cc3)C2)cn1 ZINC001077685176 1254879548 /nfs/dbraw/zinc/87/95/48/1254879548.db2.gz CELNFGTWOWUJAU-RTBURBONSA-N 2 2 371.485 0.499 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC001077888593 1255075240 /nfs/dbraw/zinc/07/52/40/1255075240.db2.gz LRAJOXRPANGRCP-HZPDHXFCSA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC001077888593 1255075247 /nfs/dbraw/zinc/07/52/47/1255075247.db2.gz LRAJOXRPANGRCP-HZPDHXFCSA-N 2 2 365.478 0.204 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078008502 1255163398 /nfs/dbraw/zinc/16/33/98/1255163398.db2.gz ICRYXPBHCLVVJM-KBRIMQKVSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078008502 1255163402 /nfs/dbraw/zinc/16/34/02/1255163402.db2.gz ICRYXPBHCLVVJM-KBRIMQKVSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078008502 1255163414 /nfs/dbraw/zinc/16/34/14/1255163414.db2.gz ICRYXPBHCLVVJM-KBRIMQKVSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078008502 1255163420 /nfs/dbraw/zinc/16/34/20/1255163420.db2.gz ICRYXPBHCLVVJM-KBRIMQKVSA-N 2 2 365.449 0.837 20 0 FCADLP CCc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078007223 1255164528 /nfs/dbraw/zinc/16/45/28/1255164528.db2.gz MTQBSBWLENFMFS-RTBURBONSA-N 2 2 356.470 0.929 20 0 FCADLP CCc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078007223 1255164530 /nfs/dbraw/zinc/16/45/30/1255164530.db2.gz MTQBSBWLENFMFS-RTBURBONSA-N 2 2 356.470 0.929 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018206 1255175268 /nfs/dbraw/zinc/17/52/68/1255175268.db2.gz SKOJPYXSQKBVHV-YSVLISHTSA-N 2 2 362.474 0.738 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001078018206 1255175274 /nfs/dbraw/zinc/17/52/74/1255175274.db2.gz SKOJPYXSQKBVHV-YSVLISHTSA-N 2 2 362.474 0.738 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C2CCOCC2)nn1 ZINC001330127686 1265947635 /nfs/dbraw/zinc/94/76/35/1265947635.db2.gz MNZGEJCLXNFJSJ-UHFFFAOYSA-N 2 2 364.494 0.728 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C2CCOCC2)nn1 ZINC001330127686 1265947639 /nfs/dbraw/zinc/94/76/39/1265947639.db2.gz MNZGEJCLXNFJSJ-UHFFFAOYSA-N 2 2 364.494 0.728 20 0 FCADLP COc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180048 1255294572 /nfs/dbraw/zinc/29/45/72/1255294572.db2.gz KSVOLLCPVKKCQC-HZPDHXFCSA-N 2 2 363.458 0.331 20 0 FCADLP COc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180048 1255294576 /nfs/dbraw/zinc/29/45/76/1255294576.db2.gz KSVOLLCPVKKCQC-HZPDHXFCSA-N 2 2 363.458 0.331 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001078183439 1255297581 /nfs/dbraw/zinc/29/75/81/1255297581.db2.gz QQNCCIODGIQVEU-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001078183439 1255297587 /nfs/dbraw/zinc/29/75/87/1255297587.db2.gz QQNCCIODGIQVEU-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)c1 ZINC001078209869 1255325390 /nfs/dbraw/zinc/32/53/90/1255325390.db2.gz NBYHYTJPUUOKBZ-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)c1 ZINC001078209869 1255325397 /nfs/dbraw/zinc/32/53/97/1255325397.db2.gz NBYHYTJPUUOKBZ-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)c1 ZINC001078209869 1255325402 /nfs/dbraw/zinc/32/54/02/1255325402.db2.gz NBYHYTJPUUOKBZ-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)C2)c1 ZINC001078209869 1255325408 /nfs/dbraw/zinc/32/54/08/1255325408.db2.gz NBYHYTJPUUOKBZ-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210204 1255325812 /nfs/dbraw/zinc/32/58/12/1255325812.db2.gz ZBXXWTMJSUWFKJ-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210204 1255325817 /nfs/dbraw/zinc/32/58/17/1255325817.db2.gz ZBXXWTMJSUWFKJ-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210204 1255325822 /nfs/dbraw/zinc/32/58/22/1255325822.db2.gz ZBXXWTMJSUWFKJ-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210204 1255325832 /nfs/dbraw/zinc/32/58/32/1255325832.db2.gz ZBXXWTMJSUWFKJ-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272075 1255376947 /nfs/dbraw/zinc/37/69/47/1255376947.db2.gz GFHVHXOZNRAQBX-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272075 1255376955 /nfs/dbraw/zinc/37/69/55/1255376955.db2.gz GFHVHXOZNRAQBX-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)o1 ZINC001078418183 1255410715 /nfs/dbraw/zinc/41/07/15/1255410715.db2.gz JNGSSCYEYHUYRB-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)o1 ZINC001078418183 1255410721 /nfs/dbraw/zinc/41/07/21/1255410721.db2.gz JNGSSCYEYHUYRB-KBRIMQKVSA-N 2 2 366.462 0.409 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1F)C(N)=O ZINC001079324407 1255508540 /nfs/dbraw/zinc/50/85/40/1255508540.db2.gz PBGYGAKPKRFJRM-DUVNUKRYSA-N 2 2 359.405 0.480 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686979 1255572728 /nfs/dbraw/zinc/57/27/28/1255572728.db2.gz HOTGCCYTVXLRSO-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686979 1255572735 /nfs/dbraw/zinc/57/27/35/1255572735.db2.gz HOTGCCYTVXLRSO-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686979 1255572740 /nfs/dbraw/zinc/57/27/40/1255572740.db2.gz HOTGCCYTVXLRSO-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001079686979 1255572745 /nfs/dbraw/zinc/57/27/45/1255572745.db2.gz HOTGCCYTVXLRSO-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079739653 1255589522 /nfs/dbraw/zinc/58/95/22/1255589522.db2.gz AWMOLZUXEAYGDE-FVQBIDKESA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079739653 1255589526 /nfs/dbraw/zinc/58/95/26/1255589526.db2.gz AWMOLZUXEAYGDE-FVQBIDKESA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079990873 1255695943 /nfs/dbraw/zinc/69/59/43/1255695943.db2.gz NZNUCRLKEOTEGR-DJIMGWMZSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079990873 1255695949 /nfs/dbraw/zinc/69/59/49/1255695949.db2.gz NZNUCRLKEOTEGR-DJIMGWMZSA-N 2 2 369.469 0.781 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080541510 1255925039 /nfs/dbraw/zinc/92/50/39/1255925039.db2.gz XWEBKQZDKOVHLY-MCIONIFRSA-N 2 2 361.446 0.248 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001080541510 1255925044 /nfs/dbraw/zinc/92/50/44/1255925044.db2.gz XWEBKQZDKOVHLY-MCIONIFRSA-N 2 2 361.446 0.248 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC001080704670 1255996543 /nfs/dbraw/zinc/99/65/43/1255996543.db2.gz FCRQTDJQYQZCEU-UKRRQHHQSA-N 2 2 364.494 0.165 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC001080704670 1255996552 /nfs/dbraw/zinc/99/65/52/1255996552.db2.gz FCRQTDJQYQZCEU-UKRRQHHQSA-N 2 2 364.494 0.165 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@H]2C)C1 ZINC001080979535 1256122736 /nfs/dbraw/zinc/12/27/36/1256122736.db2.gz SZYWXZZXEZGYTC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@H]2C)C1 ZINC001080979535 1256122744 /nfs/dbraw/zinc/12/27/44/1256122744.db2.gz SZYWXZZXEZGYTC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]2C)C1 ZINC001080979535 1256122749 /nfs/dbraw/zinc/12/27/49/1256122749.db2.gz SZYWXZZXEZGYTC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@H]2C)C1 ZINC001080979535 1256122755 /nfs/dbraw/zinc/12/27/55/1256122755.db2.gz SZYWXZZXEZGYTC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081205227 1256206467 /nfs/dbraw/zinc/20/64/67/1256206467.db2.gz MQULUUDAUNWNPX-DLBZAZTESA-N 2 2 365.441 0.828 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1)N1CCC1 ZINC001081203564 1256206987 /nfs/dbraw/zinc/20/69/87/1256206987.db2.gz QSMJFZPMPLMBGG-DLBZAZTESA-N 2 2 367.453 0.769 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081435216 1256255610 /nfs/dbraw/zinc/25/56/10/1256255610.db2.gz NARBPVDKABTIPJ-IXDOHACOSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081435216 1256255616 /nfs/dbraw/zinc/25/56/16/1256255616.db2.gz NARBPVDKABTIPJ-IXDOHACOSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081435216 1256255620 /nfs/dbraw/zinc/25/56/20/1256255620.db2.gz NARBPVDKABTIPJ-IXDOHACOSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081435216 1256255621 /nfs/dbraw/zinc/25/56/21/1256255621.db2.gz NARBPVDKABTIPJ-IXDOHACOSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481458 1256270266 /nfs/dbraw/zinc/27/02/66/1256270266.db2.gz JGIMZCRIEMFGMH-ACAUQZJGSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481458 1256270271 /nfs/dbraw/zinc/27/02/71/1256270271.db2.gz JGIMZCRIEMFGMH-ACAUQZJGSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481458 1256270275 /nfs/dbraw/zinc/27/02/75/1256270275.db2.gz JGIMZCRIEMFGMH-ACAUQZJGSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481458 1256270280 /nfs/dbraw/zinc/27/02/80/1256270280.db2.gz JGIMZCRIEMFGMH-ACAUQZJGSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481460 1256270300 /nfs/dbraw/zinc/27/03/00/1256270300.db2.gz JGIMZCRIEMFGMH-UZRSSAJHSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481460 1256270306 /nfs/dbraw/zinc/27/03/06/1256270306.db2.gz JGIMZCRIEMFGMH-UZRSSAJHSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481460 1256270310 /nfs/dbraw/zinc/27/03/10/1256270310.db2.gz JGIMZCRIEMFGMH-UZRSSAJHSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481460 1256270315 /nfs/dbraw/zinc/27/03/15/1256270315.db2.gz JGIMZCRIEMFGMH-UZRSSAJHSA-N 2 2 359.470 0.846 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481676 1256270649 /nfs/dbraw/zinc/27/06/49/1256270649.db2.gz RGPDALXZWWVODT-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481676 1256270655 /nfs/dbraw/zinc/27/06/55/1256270655.db2.gz RGPDALXZWWVODT-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481676 1256270657 /nfs/dbraw/zinc/27/06/57/1256270657.db2.gz RGPDALXZWWVODT-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481676 1256270659 /nfs/dbraw/zinc/27/06/59/1256270659.db2.gz RGPDALXZWWVODT-GUDVDZBRSA-N 2 2 361.486 0.895 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481576 1256271284 /nfs/dbraw/zinc/27/12/84/1256271284.db2.gz NSNQGQULZPXFBH-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481576 1256271290 /nfs/dbraw/zinc/27/12/90/1256271290.db2.gz NSNQGQULZPXFBH-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481576 1256271298 /nfs/dbraw/zinc/27/12/98/1256271298.db2.gz NSNQGQULZPXFBH-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481576 1256271307 /nfs/dbraw/zinc/27/13/07/1256271307.db2.gz NSNQGQULZPXFBH-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481677 1256271377 /nfs/dbraw/zinc/27/13/77/1256271377.db2.gz RGPDALXZWWVODT-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481677 1256271383 /nfs/dbraw/zinc/27/13/83/1256271383.db2.gz RGPDALXZWWVODT-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481677 1256271389 /nfs/dbraw/zinc/27/13/89/1256271389.db2.gz RGPDALXZWWVODT-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481677 1256271398 /nfs/dbraw/zinc/27/13/98/1256271398.db2.gz RGPDALXZWWVODT-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481715 1256271527 /nfs/dbraw/zinc/27/15/27/1256271527.db2.gz SLPBHBHHVYQFEM-KZNAEPCWSA-N 2 2 365.449 0.802 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481715 1256271531 /nfs/dbraw/zinc/27/15/31/1256271531.db2.gz SLPBHBHHVYQFEM-KZNAEPCWSA-N 2 2 365.449 0.802 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481715 1256271536 /nfs/dbraw/zinc/27/15/36/1256271536.db2.gz SLPBHBHHVYQFEM-KZNAEPCWSA-N 2 2 365.449 0.802 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CF)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481715 1256271540 /nfs/dbraw/zinc/27/15/40/1256271540.db2.gz SLPBHBHHVYQFEM-KZNAEPCWSA-N 2 2 365.449 0.802 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799268 1256377321 /nfs/dbraw/zinc/37/73/21/1256377321.db2.gz JVNBWLGOYSTPJL-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799268 1256377324 /nfs/dbraw/zinc/37/73/24/1256377324.db2.gz JVNBWLGOYSTPJL-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799268 1256377331 /nfs/dbraw/zinc/37/73/31/1256377331.db2.gz JVNBWLGOYSTPJL-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799268 1256377335 /nfs/dbraw/zinc/37/73/35/1256377335.db2.gz JVNBWLGOYSTPJL-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880150 1256426920 /nfs/dbraw/zinc/42/69/20/1256426920.db2.gz MWQOGFHCPGVHSU-IXDOHACOSA-N 2 2 371.441 0.350 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880150 1256426923 /nfs/dbraw/zinc/42/69/23/1256426923.db2.gz MWQOGFHCPGVHSU-IXDOHACOSA-N 2 2 371.441 0.350 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880174 1256427520 /nfs/dbraw/zinc/42/75/20/1256427520.db2.gz OCUTYXMFTHNJBZ-BRWVUGGUSA-N 2 2 371.441 0.302 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880174 1256427524 /nfs/dbraw/zinc/42/75/24/1256427524.db2.gz OCUTYXMFTHNJBZ-BRWVUGGUSA-N 2 2 371.441 0.302 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894759 1256438877 /nfs/dbraw/zinc/43/88/77/1256438877.db2.gz ALGYDBXLSRPBBE-OWCLPIDISA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894759 1256438882 /nfs/dbraw/zinc/43/88/82/1256438882.db2.gz ALGYDBXLSRPBBE-OWCLPIDISA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948165 1256467634 /nfs/dbraw/zinc/46/76/34/1256467634.db2.gz LUHCFXVVTIYOSX-DAXOMENPSA-N 2 2 359.430 0.240 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948165 1256467641 /nfs/dbraw/zinc/46/76/41/1256467641.db2.gz LUHCFXVVTIYOSX-DAXOMENPSA-N 2 2 359.430 0.240 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326159 1256667077 /nfs/dbraw/zinc/66/70/77/1256667077.db2.gz PYBXXACALJFODH-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326159 1256667084 /nfs/dbraw/zinc/66/70/84/1256667084.db2.gz PYBXXACALJFODH-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326159 1256667088 /nfs/dbraw/zinc/66/70/88/1256667088.db2.gz PYBXXACALJFODH-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326159 1256667093 /nfs/dbraw/zinc/66/70/93/1256667093.db2.gz PYBXXACALJFODH-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326727 1256668865 /nfs/dbraw/zinc/66/88/65/1256668865.db2.gz OSVZQRUSBUZCED-GVDBMIGSSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326727 1256668870 /nfs/dbraw/zinc/66/88/70/1256668870.db2.gz OSVZQRUSBUZCED-GVDBMIGSSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326727 1256668875 /nfs/dbraw/zinc/66/88/75/1256668875.db2.gz OSVZQRUSBUZCED-GVDBMIGSSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326727 1256668879 /nfs/dbraw/zinc/66/88/79/1256668879.db2.gz OSVZQRUSBUZCED-GVDBMIGSSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369721 1256717998 /nfs/dbraw/zinc/71/79/98/1256717998.db2.gz YYGRBLPVXQKUQA-GVDBMIGSSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369721 1256718001 /nfs/dbraw/zinc/71/80/01/1256718001.db2.gz YYGRBLPVXQKUQA-GVDBMIGSSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369721 1256718005 /nfs/dbraw/zinc/71/80/05/1256718005.db2.gz YYGRBLPVXQKUQA-GVDBMIGSSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369721 1256718008 /nfs/dbraw/zinc/71/80/08/1256718008.db2.gz YYGRBLPVXQKUQA-GVDBMIGSSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395254 1256743752 /nfs/dbraw/zinc/74/37/52/1256743752.db2.gz JAFUUTZYAQGXNF-IAGOWNOFSA-N 2 2 362.405 0.917 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395254 1256743756 /nfs/dbraw/zinc/74/37/56/1256743756.db2.gz JAFUUTZYAQGXNF-IAGOWNOFSA-N 2 2 362.405 0.917 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592458 1266066007 /nfs/dbraw/zinc/06/60/07/1266066007.db2.gz QFCYSTMBSHPJAS-AWEZNQCLSA-N 3 2 361.494 0.101 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnnn3C3CC[NH2+]CC3)C2)CC1 ZINC001330592458 1266066017 /nfs/dbraw/zinc/06/60/17/1266066017.db2.gz QFCYSTMBSHPJAS-AWEZNQCLSA-N 3 2 361.494 0.101 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082544734 1256834387 /nfs/dbraw/zinc/83/43/87/1256834387.db2.gz PBEOJOUZRWZIDS-KFWWJZLASA-N 2 2 364.494 0.947 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082544734 1256834401 /nfs/dbraw/zinc/83/44/01/1256834401.db2.gz PBEOJOUZRWZIDS-KFWWJZLASA-N 2 2 364.494 0.947 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)n1 ZINC001082558402 1256855961 /nfs/dbraw/zinc/85/59/61/1256855961.db2.gz OMVDDIDHHRZLIF-DJIMGWMZSA-N 2 2 371.489 0.548 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)o1 ZINC001082558591 1256858104 /nfs/dbraw/zinc/85/81/04/1256858104.db2.gz YQICLFJPBMISHU-BPLDGKMQSA-N 2 2 361.450 0.141 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001082590503 1256904156 /nfs/dbraw/zinc/90/41/56/1256904156.db2.gz ZOPRNXKPDIVZQT-AAVRWANBSA-N 2 2 371.432 0.934 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001082590503 1256904159 /nfs/dbraw/zinc/90/41/59/1256904159.db2.gz ZOPRNXKPDIVZQT-AAVRWANBSA-N 2 2 371.432 0.934 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601173 1256912654 /nfs/dbraw/zinc/91/26/54/1256912654.db2.gz OGLDTYWHSCCSDN-CKEIUWERSA-N 2 2 357.462 0.694 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001082608976 1256919390 /nfs/dbraw/zinc/91/93/90/1256919390.db2.gz KPFBGEIXJCDYSH-XNRPHZJLSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082620601 1256931309 /nfs/dbraw/zinc/93/13/09/1256931309.db2.gz GSUSOYURLIFVIL-BXUZGUMPSA-N 2 2 355.402 0.006 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)C1=O ZINC001082658574 1256962408 /nfs/dbraw/zinc/96/24/08/1256962408.db2.gz LJFMDGSKLFAMNP-BZUAXINKSA-N 2 2 361.490 0.799 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001082751065 1257032847 /nfs/dbraw/zinc/03/28/47/1257032847.db2.gz FQCACRSUADUWDH-DTZQCDIJSA-N 2 2 357.462 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082766893 1257040418 /nfs/dbraw/zinc/04/04/18/1257040418.db2.gz HBFBLWGGVQBGLO-IAQYHMDHSA-N 2 2 356.430 0.962 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119826 1266085560 /nfs/dbraw/zinc/08/55/60/1266085560.db2.gz QSROKOBGSOTXLE-CVEARBPZSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119826 1266085566 /nfs/dbraw/zinc/08/55/66/1266085566.db2.gz QSROKOBGSOTXLE-CVEARBPZSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001521119826 1266085573 /nfs/dbraw/zinc/08/55/73/1266085573.db2.gz QSROKOBGSOTXLE-CVEARBPZSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001521119826 1266085581 /nfs/dbraw/zinc/08/55/81/1266085581.db2.gz QSROKOBGSOTXLE-CVEARBPZSA-N 2 2 352.479 0.561 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)n1 ZINC001082797851 1257057452 /nfs/dbraw/zinc/05/74/52/1257057452.db2.gz UDFHBUJTVAKQPC-IUODEOHRSA-N 2 2 361.450 0.386 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521118776 1266086182 /nfs/dbraw/zinc/08/61/82/1266086182.db2.gz ADLQXRZTBLFTHV-MRXNPFEDSA-N 2 2 354.495 0.951 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521118776 1266086188 /nfs/dbraw/zinc/08/61/88/1266086188.db2.gz ADLQXRZTBLFTHV-MRXNPFEDSA-N 2 2 354.495 0.951 20 0 FCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001521118776 1266086198 /nfs/dbraw/zinc/08/61/98/1266086198.db2.gz ADLQXRZTBLFTHV-MRXNPFEDSA-N 2 2 354.495 0.951 20 0 FCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001521118776 1266086205 /nfs/dbraw/zinc/08/62/05/1266086205.db2.gz ADLQXRZTBLFTHV-MRXNPFEDSA-N 2 2 354.495 0.951 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C[C@H](C)O1 ZINC001521125020 1266086644 /nfs/dbraw/zinc/08/66/44/1266086644.db2.gz AAJZQQMWAPXJFA-HOTGVXAUSA-N 2 2 370.494 0.234 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C[C@H](C)O1 ZINC001521125020 1266086652 /nfs/dbraw/zinc/08/66/52/1266086652.db2.gz AAJZQQMWAPXJFA-HOTGVXAUSA-N 2 2 370.494 0.234 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1C ZINC001082807884 1257066454 /nfs/dbraw/zinc/06/64/54/1257066454.db2.gz IWQRETZYOUHPIT-HUUCEWRRSA-N 2 2 364.494 0.036 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082861307 1257112000 /nfs/dbraw/zinc/11/20/00/1257112000.db2.gz WHQFEVBXRXDAOH-GDBMZVCRSA-N 2 2 371.489 0.917 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)C1 ZINC001082884079 1257122364 /nfs/dbraw/zinc/12/23/64/1257122364.db2.gz BUKVZFYNJCUFHJ-JJRVBVJISA-N 2 2 361.490 0.956 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082893074 1257129136 /nfs/dbraw/zinc/12/91/36/1257129136.db2.gz KROHMZNNVKECCX-CZUORRHYSA-N 2 2 371.489 0.995 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923471 1257148338 /nfs/dbraw/zinc/14/83/38/1257148338.db2.gz LAKIIHOAEBRONT-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923592 1257148389 /nfs/dbraw/zinc/14/83/89/1257148389.db2.gz RJQTVECDYJNAKL-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)[NH+]1CCCCC1 ZINC001082943549 1257160609 /nfs/dbraw/zinc/16/06/09/1257160609.db2.gz NVSZMGAXLJXCID-BFYDXBDKSA-N 2 2 363.510 0.657 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082943547 1257160881 /nfs/dbraw/zinc/16/08/81/1257160881.db2.gz NTCRUXALSZNLLG-KFWWJZLASA-N 2 2 364.494 0.947 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082943547 1257160882 /nfs/dbraw/zinc/16/08/82/1257160882.db2.gz NTCRUXALSZNLLG-KFWWJZLASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC001082957920 1257167743 /nfs/dbraw/zinc/16/77/43/1257167743.db2.gz FSZCSYJTSBXNCZ-CXAGYDPISA-N 2 2 369.429 0.908 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)n1 ZINC001083024720 1257214664 /nfs/dbraw/zinc/21/46/64/1257214664.db2.gz XEQQZBMPKCOKSP-HRCADAONSA-N 2 2 363.462 0.316 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)n1 ZINC001083024720 1257214668 /nfs/dbraw/zinc/21/46/68/1257214668.db2.gz XEQQZBMPKCOKSP-HRCADAONSA-N 2 2 363.462 0.316 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024720 1257214671 /nfs/dbraw/zinc/21/46/71/1257214671.db2.gz XEQQZBMPKCOKSP-HRCADAONSA-N 2 2 363.462 0.316 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024720 1257214675 /nfs/dbraw/zinc/21/46/75/1257214675.db2.gz XEQQZBMPKCOKSP-HRCADAONSA-N 2 2 363.462 0.316 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083124236 1257359148 /nfs/dbraw/zinc/35/91/48/1257359148.db2.gz OOXMOLOFJPQEHX-BPQIPLTHSA-N 2 2 370.457 0.254 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083124236 1257359155 /nfs/dbraw/zinc/35/91/55/1257359155.db2.gz OOXMOLOFJPQEHX-BPQIPLTHSA-N 2 2 370.457 0.254 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083157974 1257415803 /nfs/dbraw/zinc/41/58/03/1257415803.db2.gz ZQSABZPVYZPRBY-IPMKNSEASA-N 2 2 370.453 0.918 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083157974 1257415807 /nfs/dbraw/zinc/41/58/07/1257415807.db2.gz ZQSABZPVYZPRBY-IPMKNSEASA-N 2 2 370.453 0.918 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)c1 ZINC001083778794 1257518568 /nfs/dbraw/zinc/51/85/68/1257518568.db2.gz XXNQJYRZNSHXAL-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)c1 ZINC001083778794 1257518572 /nfs/dbraw/zinc/51/85/72/1257518572.db2.gz XXNQJYRZNSHXAL-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)c1 ZINC001083778794 1257518575 /nfs/dbraw/zinc/51/85/75/1257518575.db2.gz XXNQJYRZNSHXAL-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)c1 ZINC001083778794 1257518578 /nfs/dbraw/zinc/51/85/78/1257518578.db2.gz XXNQJYRZNSHXAL-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783119 1257529897 /nfs/dbraw/zinc/52/98/97/1257529897.db2.gz ATNARQUYGVPGJE-MOPGFXCFSA-N 2 2 371.485 0.499 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833742 1257586915 /nfs/dbraw/zinc/58/69/15/1257586915.db2.gz SEXLRJMWWUIMRJ-OLMNPRSZSA-N 2 2 361.490 0.739 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833742 1257586917 /nfs/dbraw/zinc/58/69/17/1257586917.db2.gz SEXLRJMWWUIMRJ-OLMNPRSZSA-N 2 2 361.490 0.739 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083833419 1257587613 /nfs/dbraw/zinc/58/76/13/1257587613.db2.gz ACYBBEKAVYZPOW-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083833419 1257587617 /nfs/dbraw/zinc/58/76/17/1257587617.db2.gz ACYBBEKAVYZPOW-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908567 1257688366 /nfs/dbraw/zinc/68/83/66/1257688366.db2.gz KMGDABCMUMGPNB-MSOLQXFVSA-N 2 2 361.490 0.567 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908567 1257688374 /nfs/dbraw/zinc/68/83/74/1257688374.db2.gz KMGDABCMUMGPNB-MSOLQXFVSA-N 2 2 361.490 0.567 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1)OC ZINC001083915179 1257696004 /nfs/dbraw/zinc/69/60/04/1257696004.db2.gz FDFRIVGOPHKAGR-OIISXLGYSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1)OC ZINC001083915179 1257696008 /nfs/dbraw/zinc/69/60/08/1257696008.db2.gz FDFRIVGOPHKAGR-OIISXLGYSA-N 2 2 359.430 0.467 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915481 1257697227 /nfs/dbraw/zinc/69/72/27/1257697227.db2.gz TVJWQBCDBDORTA-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915481 1257697234 /nfs/dbraw/zinc/69/72/34/1257697234.db2.gz TVJWQBCDBDORTA-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058088 1257870968 /nfs/dbraw/zinc/87/09/68/1257870968.db2.gz JLFYZPAQRJSZJI-MSOLQXFVSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084058088 1257870976 /nfs/dbraw/zinc/87/09/76/1257870976.db2.gz JLFYZPAQRJSZJI-MSOLQXFVSA-N 2 2 361.486 0.939 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001084058963 1257876103 /nfs/dbraw/zinc/87/61/03/1257876103.db2.gz RPSAUEDTBXIMPD-MOPGFXCFSA-N 2 2 369.469 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001084058963 1257876112 /nfs/dbraw/zinc/87/61/12/1257876112.db2.gz RPSAUEDTBXIMPD-MOPGFXCFSA-N 2 2 369.469 0.629 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084088067 1257910852 /nfs/dbraw/zinc/91/08/52/1257910852.db2.gz OKIGYVXHPXNYGI-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084088067 1257910856 /nfs/dbraw/zinc/91/08/56/1257910856.db2.gz OKIGYVXHPXNYGI-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251277 1257988570 /nfs/dbraw/zinc/98/85/70/1257988570.db2.gz HQVGLRAAIWERPH-KZNAEPCWSA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251277 1257988576 /nfs/dbraw/zinc/98/85/76/1257988576.db2.gz HQVGLRAAIWERPH-KZNAEPCWSA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251277 1257988582 /nfs/dbraw/zinc/98/85/82/1257988582.db2.gz HQVGLRAAIWERPH-KZNAEPCWSA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251277 1257988586 /nfs/dbraw/zinc/98/85/86/1257988586.db2.gz HQVGLRAAIWERPH-KZNAEPCWSA-N 2 2 361.490 0.363 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084312517 1258015432 /nfs/dbraw/zinc/01/54/32/1258015432.db2.gz TZFAWGIQDGHVFW-OWCLPIDISA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084312517 1258015439 /nfs/dbraw/zinc/01/54/39/1258015439.db2.gz TZFAWGIQDGHVFW-OWCLPIDISA-N 2 2 358.446 0.133 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349371 1258043237 /nfs/dbraw/zinc/04/32/37/1258043237.db2.gz IPVOLJPHDDWSDN-BPQIPLTHSA-N 2 2 358.490 0.673 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349371 1258043243 /nfs/dbraw/zinc/04/32/43/1258043243.db2.gz IPVOLJPHDDWSDN-BPQIPLTHSA-N 2 2 358.490 0.673 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084349369 1258043396 /nfs/dbraw/zinc/04/33/96/1258043396.db2.gz IPNVGTSUQLUNAA-KBAYOESNSA-N 2 2 371.485 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084349369 1258043399 /nfs/dbraw/zinc/04/33/99/1258043399.db2.gz IPNVGTSUQLUNAA-KBAYOESNSA-N 2 2 371.485 0.860 20 0 FCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084406828 1258086172 /nfs/dbraw/zinc/08/61/72/1258086172.db2.gz ZYXMGQWGCMOXGQ-BRWVUGGUSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084406828 1258086176 /nfs/dbraw/zinc/08/61/76/1258086176.db2.gz ZYXMGQWGCMOXGQ-BRWVUGGUSA-N 2 2 371.485 0.916 20 0 FCADLP Cn1nccc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465825 1258120777 /nfs/dbraw/zinc/12/07/77/1258120777.db2.gz VTRRYKJBKMVNEF-GPMSIDNRSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084465825 1258120781 /nfs/dbraw/zinc/12/07/81/1258120781.db2.gz VTRRYKJBKMVNEF-GPMSIDNRSA-N 2 2 368.485 0.954 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084488339 1258133241 /nfs/dbraw/zinc/13/32/41/1258133241.db2.gz YCANLUSWPUEPIG-NVXWUHKLSA-N 2 2 351.414 0.772 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084488339 1258133245 /nfs/dbraw/zinc/13/32/45/1258133245.db2.gz YCANLUSWPUEPIG-NVXWUHKLSA-N 2 2 351.414 0.772 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084560888 1258171125 /nfs/dbraw/zinc/17/11/25/1258171125.db2.gz IBIHLIOEXDXGCD-BZUAXINKSA-N 2 2 355.446 0.585 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001084560888 1258171128 /nfs/dbraw/zinc/17/11/28/1258171128.db2.gz IBIHLIOEXDXGCD-BZUAXINKSA-N 2 2 355.446 0.585 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CC[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664379 1258226195 /nfs/dbraw/zinc/22/61/95/1258226195.db2.gz SXWZCUCLKAAJIZ-QLFBSQMISA-N 2 2 362.474 0.056 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664379 1258226200 /nfs/dbraw/zinc/22/62/00/1258226200.db2.gz SXWZCUCLKAAJIZ-QLFBSQMISA-N 2 2 362.474 0.056 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664379 1258226207 /nfs/dbraw/zinc/22/62/07/1258226207.db2.gz SXWZCUCLKAAJIZ-QLFBSQMISA-N 2 2 362.474 0.056 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001084664379 1258226215 /nfs/dbraw/zinc/22/62/15/1258226215.db2.gz SXWZCUCLKAAJIZ-QLFBSQMISA-N 2 2 362.474 0.056 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001084780282 1258322611 /nfs/dbraw/zinc/32/26/11/1258322611.db2.gz YMJSGWVPEQLFDJ-KBRIMQKVSA-N 2 2 357.458 0.525 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001084780282 1258322620 /nfs/dbraw/zinc/32/26/20/1258322620.db2.gz YMJSGWVPEQLFDJ-KBRIMQKVSA-N 2 2 357.458 0.525 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084780200 1258322993 /nfs/dbraw/zinc/32/29/93/1258322993.db2.gz UGKQQISEUQLIKP-FHLIZLRMSA-N 2 2 371.485 0.915 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084780200 1258323001 /nfs/dbraw/zinc/32/30/01/1258323001.db2.gz UGKQQISEUQLIKP-FHLIZLRMSA-N 2 2 371.485 0.915 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)n1 ZINC001084799633 1258339623 /nfs/dbraw/zinc/33/96/23/1258339623.db2.gz UKECNGCGFIDHLH-NVXWUHKLSA-N 2 2 357.462 0.702 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)n1 ZINC001084799633 1258339644 /nfs/dbraw/zinc/33/96/44/1258339644.db2.gz UKECNGCGFIDHLH-NVXWUHKLSA-N 2 2 357.462 0.702 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001084834062 1258382007 /nfs/dbraw/zinc/38/20/07/1258382007.db2.gz IQGYOGBNYMYMFF-QGPMSJSTSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001084834062 1258382001 /nfs/dbraw/zinc/38/20/01/1258382001.db2.gz IQGYOGBNYMYMFF-QGPMSJSTSA-N 2 2 362.474 0.984 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084867013 1258409317 /nfs/dbraw/zinc/40/93/17/1258409317.db2.gz SJLAPKWHKOSGRC-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084867013 1258409320 /nfs/dbraw/zinc/40/93/20/1258409320.db2.gz SJLAPKWHKOSGRC-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975899 1258487317 /nfs/dbraw/zinc/48/73/17/1258487317.db2.gz YGPOSOPSFJEVHQ-INMHGKMJSA-N 2 2 359.474 0.457 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975899 1258487320 /nfs/dbraw/zinc/48/73/20/1258487320.db2.gz YGPOSOPSFJEVHQ-INMHGKMJSA-N 2 2 359.474 0.457 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001085014820 1258520851 /nfs/dbraw/zinc/52/08/51/1258520851.db2.gz GHSQUPLVHWEDGB-NZSAHSFTSA-N 2 2 365.518 0.935 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001085014820 1258520857 /nfs/dbraw/zinc/52/08/57/1258520857.db2.gz GHSQUPLVHWEDGB-NZSAHSFTSA-N 2 2 365.518 0.935 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001085014820 1258520863 /nfs/dbraw/zinc/52/08/63/1258520863.db2.gz GHSQUPLVHWEDGB-NZSAHSFTSA-N 2 2 365.518 0.935 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCCO)[C@H]2C1 ZINC001085014820 1258520872 /nfs/dbraw/zinc/52/08/72/1258520872.db2.gz GHSQUPLVHWEDGB-NZSAHSFTSA-N 2 2 365.518 0.935 20 0 FCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC001085047981 1258545063 /nfs/dbraw/zinc/54/50/63/1258545063.db2.gz ZENTUINSTXZWGQ-KSZLIROESA-N 2 2 365.518 0.935 20 0 FCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC001085047981 1258545069 /nfs/dbraw/zinc/54/50/69/1258545069.db2.gz ZENTUINSTXZWGQ-KSZLIROESA-N 2 2 365.518 0.935 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085049967 1258545135 /nfs/dbraw/zinc/54/51/35/1258545135.db2.gz MDJXOSKSKFZJDP-SJORKVTESA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085049967 1258545143 /nfs/dbraw/zinc/54/51/43/1258545143.db2.gz MDJXOSKSKFZJDP-SJORKVTESA-N 2 2 360.506 0.970 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CC[C@H]3CC[N@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001085064452 1258559022 /nfs/dbraw/zinc/55/90/22/1258559022.db2.gz COTJSTYTZMYOOK-PBHICJAKSA-N 2 2 363.462 0.603 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CC[C@H]3CC[N@@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001085064452 1258559027 /nfs/dbraw/zinc/55/90/27/1258559027.db2.gz COTJSTYTZMYOOK-PBHICJAKSA-N 2 2 363.462 0.603 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001085105841 1258598583 /nfs/dbraw/zinc/59/85/83/1258598583.db2.gz JLRSNXSWKWJQTI-SJORKVTESA-N 2 2 357.462 0.714 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001085105841 1258598586 /nfs/dbraw/zinc/59/85/86/1258598586.db2.gz JLRSNXSWKWJQTI-SJORKVTESA-N 2 2 357.462 0.714 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159271 1258612501 /nfs/dbraw/zinc/61/25/01/1258612501.db2.gz NPNNYEJKRBDBSX-INMHGKMJSA-N 2 2 364.494 0.454 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159271 1258612506 /nfs/dbraw/zinc/61/25/06/1258612506.db2.gz NPNNYEJKRBDBSX-INMHGKMJSA-N 2 2 364.494 0.454 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001085159522 1258613540 /nfs/dbraw/zinc/61/35/40/1258613540.db2.gz XWBHOLYOFHZYKL-OAGGEKHMSA-N 2 2 363.462 0.333 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001085159522 1258613547 /nfs/dbraw/zinc/61/35/47/1258613547.db2.gz XWBHOLYOFHZYKL-OAGGEKHMSA-N 2 2 363.462 0.333 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085159484 1258613609 /nfs/dbraw/zinc/61/36/09/1258613609.db2.gz WMFOOOBLLZDYRR-KFWWJZLASA-N 2 2 368.457 0.095 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2CCF)C1 ZINC001085159484 1258613615 /nfs/dbraw/zinc/61/36/15/1258613615.db2.gz WMFOOOBLLZDYRR-KFWWJZLASA-N 2 2 368.457 0.095 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153905 1258666901 /nfs/dbraw/zinc/66/69/01/1258666901.db2.gz PQAYNLBVBCQSEB-ZBFHGGJFSA-N 2 2 368.441 0.407 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]2C1 ZINC001088153905 1258666907 /nfs/dbraw/zinc/66/69/07/1258666907.db2.gz PQAYNLBVBCQSEB-ZBFHGGJFSA-N 2 2 368.441 0.407 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088170692 1258691138 /nfs/dbraw/zinc/69/11/38/1258691138.db2.gz BPKWTDFIURIOGL-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088170692 1258691146 /nfs/dbraw/zinc/69/11/46/1258691146.db2.gz BPKWTDFIURIOGL-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088173261 1258693444 /nfs/dbraw/zinc/69/34/44/1258693444.db2.gz ZSUJXWLQODSUSK-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nn3)CC[C@@H]2C1 ZINC001088173261 1258693451 /nfs/dbraw/zinc/69/34/51/1258693451.db2.gz ZSUJXWLQODSUSK-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001088201271 1258724389 /nfs/dbraw/zinc/72/43/89/1258724389.db2.gz SYVUSADJQBNYTO-CABCVRRESA-N 2 2 359.478 0.384 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001088201271 1258724398 /nfs/dbraw/zinc/72/43/98/1258724398.db2.gz SYVUSADJQBNYTO-CABCVRRESA-N 2 2 359.478 0.384 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219527 1258740769 /nfs/dbraw/zinc/74/07/69/1258740769.db2.gz HNUJGFJSRZINMT-IKGGRYGDSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219527 1258740776 /nfs/dbraw/zinc/74/07/76/1258740776.db2.gz HNUJGFJSRZINMT-IKGGRYGDSA-N 2 2 359.474 0.673 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219567 1258741328 /nfs/dbraw/zinc/74/13/28/1258741328.db2.gz JIHLBDBASUNIHA-CABCVRRESA-N 2 2 356.430 0.662 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219567 1258741336 /nfs/dbraw/zinc/74/13/36/1258741336.db2.gz JIHLBDBASUNIHA-CABCVRRESA-N 2 2 356.430 0.662 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820460 1258855299 /nfs/dbraw/zinc/85/52/99/1258855299.db2.gz GDUCHEPXPIJLHB-MCIONIFRSA-N 2 2 369.425 0.437 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820460 1258855306 /nfs/dbraw/zinc/85/53/06/1258855306.db2.gz GDUCHEPXPIJLHB-MCIONIFRSA-N 2 2 369.425 0.437 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(N)=O ZINC001106830536 1258972463 /nfs/dbraw/zinc/97/24/63/1258972463.db2.gz SNTMAVVZYQRQTJ-HZSPNIEDSA-N 2 2 356.430 0.439 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343118 1259057680 /nfs/dbraw/zinc/05/76/80/1259057680.db2.gz LPTVGMBYSVRMIY-GPMSIDNRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343118 1259057686 /nfs/dbraw/zinc/05/76/86/1259057686.db2.gz LPTVGMBYSVRMIY-GPMSIDNRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343118 1259057693 /nfs/dbraw/zinc/05/76/93/1259057693.db2.gz LPTVGMBYSVRMIY-GPMSIDNRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343118 1259057699 /nfs/dbraw/zinc/05/76/99/1259057699.db2.gz LPTVGMBYSVRMIY-GPMSIDNRSA-N 2 2 366.506 0.204 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473342 1259098046 /nfs/dbraw/zinc/09/80/46/1259098046.db2.gz OZQGULFVGWRIGX-VQIMIIECSA-N 2 2 359.474 0.608 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]c4c3CCCC4)CCC[C@@H]12 ZINC001107473342 1259098055 /nfs/dbraw/zinc/09/80/55/1259098055.db2.gz OZQGULFVGWRIGX-VQIMIIECSA-N 2 2 359.474 0.608 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107583351 1259125057 /nfs/dbraw/zinc/12/50/57/1259125057.db2.gz YFGPFONAFVWKMT-RDTXWAMCSA-N 2 2 364.494 0.311 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107583351 1259125063 /nfs/dbraw/zinc/12/50/63/1259125063.db2.gz YFGPFONAFVWKMT-RDTXWAMCSA-N 2 2 364.494 0.311 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622953 1259135390 /nfs/dbraw/zinc/13/53/90/1259135390.db2.gz JNHPMKXQMYLMEK-VQIMIIECSA-N 2 2 361.490 0.802 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622953 1259135392 /nfs/dbraw/zinc/13/53/92/1259135392.db2.gz JNHPMKXQMYLMEK-VQIMIIECSA-N 2 2 361.490 0.802 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090256 1259154774 /nfs/dbraw/zinc/15/47/74/1259154774.db2.gz QLVUWRZYNRUOKV-AOIWGVFYSA-N 2 2 369.506 0.482 20 0 FCADLP CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090256 1259154776 /nfs/dbraw/zinc/15/47/76/1259154776.db2.gz QLVUWRZYNRUOKV-AOIWGVFYSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961850 1259274677 /nfs/dbraw/zinc/27/46/77/1259274677.db2.gz JGDCRZQVRCYMRK-ZNMIVQPWSA-N 2 2 361.450 0.137 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961850 1259274682 /nfs/dbraw/zinc/27/46/82/1259274682.db2.gz JGDCRZQVRCYMRK-ZNMIVQPWSA-N 2 2 361.450 0.137 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072310 1259306097 /nfs/dbraw/zinc/30/60/97/1259306097.db2.gz YSNADIOAQAAISR-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072310 1259306105 /nfs/dbraw/zinc/30/61/05/1259306105.db2.gz YSNADIOAQAAISR-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139643 1259327694 /nfs/dbraw/zinc/32/76/94/1259327694.db2.gz QJVPCDRQULANLX-CVEARBPZSA-N 2 2 361.450 0.331 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139643 1259327699 /nfs/dbraw/zinc/32/76/99/1259327699.db2.gz QJVPCDRQULANLX-CVEARBPZSA-N 2 2 361.450 0.331 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276279 1259360850 /nfs/dbraw/zinc/36/08/50/1259360850.db2.gz DMFZYLZOAZGPJC-ILXRZTDVSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276279 1259360856 /nfs/dbraw/zinc/36/08/56/1259360856.db2.gz DMFZYLZOAZGPJC-ILXRZTDVSA-N 2 2 361.450 0.456 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001212315585 1259462370 /nfs/dbraw/zinc/46/23/70/1259462370.db2.gz ZXEUYQOBBPMJPH-QGZVFWFLSA-N 2 2 372.473 0.996 20 0 FCADLP CON(C)C(=O)c1ccc(-c2noc([C@H](N)C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC001212315518 1259462993 /nfs/dbraw/zinc/46/29/93/1259462993.db2.gz XVDRFWHVQDVPIL-OAHLLOKOSA-N 2 2 374.445 0.793 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212353172 1259470395 /nfs/dbraw/zinc/47/03/95/1259470395.db2.gz KJNUHQFTDVAIGM-USXIJHARSA-N 2 2 367.469 0.780 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212353172 1259470399 /nfs/dbraw/zinc/47/03/99/1259470399.db2.gz KJNUHQFTDVAIGM-USXIJHARSA-N 2 2 367.469 0.780 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001212410259 1259495082 /nfs/dbraw/zinc/49/50/82/1259495082.db2.gz PNFKRJGBYMRCNS-NUJGCVRESA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001212410259 1259495086 /nfs/dbraw/zinc/49/50/86/1259495086.db2.gz PNFKRJGBYMRCNS-NUJGCVRESA-N 2 2 362.474 0.746 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1)C1CC1 ZINC001212418918 1259499014 /nfs/dbraw/zinc/49/90/14/1259499014.db2.gz QZSSEOVKKXQUAB-IAGOWNOFSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1)C1CC1 ZINC001212418918 1259499017 /nfs/dbraw/zinc/49/90/17/1259499017.db2.gz QZSSEOVKKXQUAB-IAGOWNOFSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1)C1CC1 ZINC001212418918 1259499023 /nfs/dbraw/zinc/49/90/23/1259499023.db2.gz QZSSEOVKKXQUAB-IAGOWNOFSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1)C1CC1 ZINC001212418918 1259499027 /nfs/dbraw/zinc/49/90/27/1259499027.db2.gz QZSSEOVKKXQUAB-IAGOWNOFSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC)[NH+](C)C ZINC001212459934 1259514812 /nfs/dbraw/zinc/51/48/12/1259514812.db2.gz BRUWGGOJIHPQFP-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC)[NH+](C)C ZINC001212459934 1259514820 /nfs/dbraw/zinc/51/48/20/1259514820.db2.gz BRUWGGOJIHPQFP-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483572 1259519631 /nfs/dbraw/zinc/51/96/31/1259519631.db2.gz MXEJNOJJNDXTBP-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483572 1259519638 /nfs/dbraw/zinc/51/96/38/1259519638.db2.gz MXEJNOJJNDXTBP-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483572 1259519644 /nfs/dbraw/zinc/51/96/44/1259519644.db2.gz MXEJNOJJNDXTBP-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212483572 1259519650 /nfs/dbraw/zinc/51/96/50/1259519650.db2.gz MXEJNOJJNDXTBP-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483816 1259521712 /nfs/dbraw/zinc/52/17/12/1259521712.db2.gz USIFYHLWPBIODS-ARFHVFGLSA-N 2 2 370.538 0.787 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483816 1259521713 /nfs/dbraw/zinc/52/17/13/1259521713.db2.gz USIFYHLWPBIODS-ARFHVFGLSA-N 2 2 370.538 0.787 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483816 1259521717 /nfs/dbraw/zinc/52/17/17/1259521717.db2.gz USIFYHLWPBIODS-ARFHVFGLSA-N 2 2 370.538 0.787 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483816 1259521719 /nfs/dbraw/zinc/52/17/19/1259521719.db2.gz USIFYHLWPBIODS-ARFHVFGLSA-N 2 2 370.538 0.787 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487247 1259524324 /nfs/dbraw/zinc/52/43/24/1259524324.db2.gz XUADTZDEQWBPHH-GDBMZVCRSA-N 2 2 366.510 0.652 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487247 1259524330 /nfs/dbraw/zinc/52/43/30/1259524330.db2.gz XUADTZDEQWBPHH-GDBMZVCRSA-N 2 2 366.510 0.652 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212487247 1259524336 /nfs/dbraw/zinc/52/43/36/1259524336.db2.gz XUADTZDEQWBPHH-GDBMZVCRSA-N 2 2 366.510 0.652 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212487247 1259524342 /nfs/dbraw/zinc/52/43/42/1259524342.db2.gz XUADTZDEQWBPHH-GDBMZVCRSA-N 2 2 366.510 0.652 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212495639 1259525962 /nfs/dbraw/zinc/52/59/62/1259525962.db2.gz LLLQUZAETWYCOX-IAGOWNOFSA-N 2 2 368.478 0.838 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212495639 1259525969 /nfs/dbraw/zinc/52/59/69/1259525969.db2.gz LLLQUZAETWYCOX-IAGOWNOFSA-N 2 2 368.478 0.838 20 0 FCADLP COc1cccc2c(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])ccnc12 ZINC001236311358 1259588426 /nfs/dbraw/zinc/58/84/26/1259588426.db2.gz JGRLAXRGBBAYDN-UHFFFAOYSA-N 3 2 359.474 0.859 20 0 FCADLP COc1cccc2c(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])ccnc12 ZINC001236311358 1259588436 /nfs/dbraw/zinc/58/84/36/1259588436.db2.gz JGRLAXRGBBAYDN-UHFFFAOYSA-N 3 2 359.474 0.859 20 0 FCADLP c1c(C[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)nc2n1CC[NH2+]C2 ZINC001236398848 1259590965 /nfs/dbraw/zinc/59/09/65/1259590965.db2.gz KDCBQZYLAMEQMF-UHFFFAOYSA-N 3 2 362.522 0.120 20 0 FCADLP c1c(C[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)nc2n1CC[NH2+]C2 ZINC001236398848 1259590968 /nfs/dbraw/zinc/59/09/68/1259590968.db2.gz KDCBQZYLAMEQMF-UHFFFAOYSA-N 3 2 362.522 0.120 20 0 FCADLP COC(=O)[C@H]1C[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CCN1C(C)=O ZINC001236896811 1259593220 /nfs/dbraw/zinc/59/32/20/1259593220.db2.gz ZJVQEFVUNRKHOB-LJQANCHMSA-N 2 2 374.485 0.644 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CCN1C(C)=O ZINC001236896811 1259593227 /nfs/dbraw/zinc/59/32/27/1259593227.db2.gz ZJVQEFVUNRKHOB-LJQANCHMSA-N 2 2 374.485 0.644 20 0 FCADLP O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc3c[nH+]cn32)O1)N1CCOCC1 ZINC001238105951 1259613550 /nfs/dbraw/zinc/61/35/50/1259613550.db2.gz VYZWNCSUFFIHAX-KZNAEPCWSA-N 2 2 356.426 0.925 20 0 FCADLP O=C([C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccc3c[nH+]cn32)O1)N1CCOCC1 ZINC001238105951 1259613557 /nfs/dbraw/zinc/61/35/57/1259613557.db2.gz VYZWNCSUFFIHAX-KZNAEPCWSA-N 2 2 356.426 0.925 20 0 FCADLP C[C@H](C[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)Cn1cc[nH+]c1 ZINC001335394526 1259642433 /nfs/dbraw/zinc/64/24/33/1259642433.db2.gz JRNRCTNMUMBQHC-GDBMZVCRSA-N 2 2 357.414 0.987 20 0 FCADLP C[C@@H](C[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)Cn1cc[nH+]c1 ZINC001335394530 1259643491 /nfs/dbraw/zinc/64/34/91/1259643491.db2.gz JRNRCTNMUMBQHC-HOCLYGCPSA-N 2 2 357.414 0.987 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001245987488 1259644030 /nfs/dbraw/zinc/64/40/30/1259644030.db2.gz ZOOUKAYCRXQCFJ-MANSERQUSA-N 3 2 369.456 0.944 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246022366 1259644730 /nfs/dbraw/zinc/64/47/30/1259644730.db2.gz JLVOLOWBZYXWKS-IHPCNDPISA-N 2 2 363.502 0.641 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001246022366 1259644737 /nfs/dbraw/zinc/64/47/37/1259644737.db2.gz JLVOLOWBZYXWKS-IHPCNDPISA-N 2 2 363.502 0.641 20 0 FCADLP COc1ccc(CN2CC[C@H]([NH2+]C[C@H]3C[NH2+]CCN3)CC2=O)c(OC)c1 ZINC001246489773 1259653597 /nfs/dbraw/zinc/65/35/97/1259653597.db2.gz ATSYSWKGEHBRMA-JKSUJKDBSA-N 2 2 362.474 0.346 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(c2ncccn2)[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246701957 1259663710 /nfs/dbraw/zinc/66/37/10/1259663710.db2.gz GJJRIYUJFYDXCO-KFWWJZLASA-N 2 2 361.446 0.098 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737570 1259672461 /nfs/dbraw/zinc/67/24/61/1259672461.db2.gz JLWGXBMQIBGTOX-XWSJACJDSA-N 3 2 373.549 0.545 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737570 1259672467 /nfs/dbraw/zinc/67/24/67/1259672467.db2.gz JLWGXBMQIBGTOX-XWSJACJDSA-N 3 2 373.549 0.545 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737570 1259672475 /nfs/dbraw/zinc/67/24/75/1259672475.db2.gz JLWGXBMQIBGTOX-XWSJACJDSA-N 3 2 373.549 0.545 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737570 1259672482 /nfs/dbraw/zinc/67/24/82/1259672482.db2.gz JLWGXBMQIBGTOX-XWSJACJDSA-N 3 2 373.549 0.545 20 0 FCADLP c1ccc(N2CCOC3(CC[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)CC3)C2)[nH+]c1 ZINC001246739856 1259673993 /nfs/dbraw/zinc/67/39/93/1259673993.db2.gz RVLDXSNKDVMGBE-KRWDZBQOSA-N 3 2 357.502 0.847 20 0 FCADLP C[NH+]1CCN(c2ccccc2CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC001335484278 1259679414 /nfs/dbraw/zinc/67/94/14/1259679414.db2.gz NMDOILCWSAWUJG-QPJJXVBHSA-N 2 2 358.486 0.943 20 0 FCADLP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC001246771572 1259686598 /nfs/dbraw/zinc/68/65/98/1259686598.db2.gz VFVYEYMCPVWBIL-HNNXBMFYSA-N 3 2 370.505 0.643 20 0 FCADLP C(c1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)[NH+]1CCCCC1 ZINC001246770325 1259687781 /nfs/dbraw/zinc/68/77/81/1259687781.db2.gz YHGIWTHPKSZEJG-MRXNPFEDSA-N 3 2 359.522 0.216 20 0 FCADLP C(c1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)[NH+]1CCCCC1 ZINC001246770325 1259687790 /nfs/dbraw/zinc/68/77/90/1259687790.db2.gz YHGIWTHPKSZEJG-MRXNPFEDSA-N 3 2 359.522 0.216 20 0 FCADLP C[C@H]1C[C@@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC[NH2+]1 ZINC001246772409 1259688631 /nfs/dbraw/zinc/68/86/31/1259688631.db2.gz DNIVLRJGMHPAGN-GJZGRUSLSA-N 2 2 371.489 0.545 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@H]2CCC[NH2+]C2)CC3)cn1 ZINC001246776089 1259689036 /nfs/dbraw/zinc/68/90/36/1259689036.db2.gz HZXAKJLVSMYTGE-HNNXBMFYSA-N 2 2 357.462 0.157 20 0 FCADLP CCOC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005756 1259698371 /nfs/dbraw/zinc/69/83/71/1259698371.db2.gz GGNSKEABLURJGA-KKUMJFAQSA-N 2 2 367.490 0.533 20 0 FCADLP Cn1cc2cccc(-c3noc(CNC(=O)[C@@H]([NH3+])Cc4c[nH+]c[nH]4)n3)c2n1 ZINC001247333515 1259701266 /nfs/dbraw/zinc/70/12/66/1259701266.db2.gz OEYFEMYULQVCLB-ZDUSSCGKSA-N 2 2 366.385 0.533 20 0 FCADLP COc1cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)ccc1C ZINC001247335315 1259702288 /nfs/dbraw/zinc/70/22/88/1259702288.db2.gz WTKINPIXCUZYSS-ZDUSSCGKSA-N 2 2 356.386 0.963 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251048008 1259736110 /nfs/dbraw/zinc/73/61/10/1259736110.db2.gz AFBXRTDXVBJQSL-HSALFYBXSA-N 2 2 363.502 0.559 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251048008 1259736116 /nfs/dbraw/zinc/73/61/16/1259736116.db2.gz AFBXRTDXVBJQSL-HSALFYBXSA-N 2 2 363.502 0.559 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001335623256 1259748463 /nfs/dbraw/zinc/74/84/63/1259748463.db2.gz NCCRDJKGFYGUBI-CVEARBPZSA-N 2 2 369.510 0.126 20 0 FCADLP CN(CCO)c1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC001252919721 1259810357 /nfs/dbraw/zinc/81/03/57/1259810357.db2.gz SDXAVACHMTXVCT-LJQANCHMSA-N 2 2 357.458 0.954 20 0 FCADLP CN(CCO)c1cc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC001252919721 1259810367 /nfs/dbraw/zinc/81/03/67/1259810367.db2.gz SDXAVACHMTXVCT-LJQANCHMSA-N 2 2 357.458 0.954 20 0 FCADLP CN(CCO)c1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC001252919721 1259810369 /nfs/dbraw/zinc/81/03/69/1259810369.db2.gz SDXAVACHMTXVCT-LJQANCHMSA-N 2 2 357.458 0.954 20 0 FCADLP CN(CCO)c1cc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC001252919721 1259810376 /nfs/dbraw/zinc/81/03/76/1259810376.db2.gz SDXAVACHMTXVCT-LJQANCHMSA-N 2 2 357.458 0.954 20 0 FCADLP COCCO[C@H]1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@H]1Cc1cnn(C)c1 ZINC001253391632 1259838483 /nfs/dbraw/zinc/83/84/83/1259838483.db2.gz VFLXUYKWUGAPRH-SQNIBIBYSA-N 2 2 368.522 0.818 20 0 FCADLP COCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@H]1Cc1cnn(C)c1 ZINC001253391632 1259838490 /nfs/dbraw/zinc/83/84/90/1259838490.db2.gz VFLXUYKWUGAPRH-SQNIBIBYSA-N 2 2 368.522 0.818 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383651 1259879577 /nfs/dbraw/zinc/87/95/77/1259879577.db2.gz VMXOBMMROYWLTD-LSDHHAIUSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383651 1259879584 /nfs/dbraw/zinc/87/95/84/1259879584.db2.gz VMXOBMMROYWLTD-LSDHHAIUSA-N 2 2 363.506 0.465 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523395 1259890341 /nfs/dbraw/zinc/89/03/41/1259890341.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@@H]3CCC[NH+](C)CC3)CC2)C1 ZINC001254523395 1259890352 /nfs/dbraw/zinc/89/03/52/1259890352.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)C1 ZINC001254523395 1259890358 /nfs/dbraw/zinc/89/03/58/1259890358.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254523395 1259890366 /nfs/dbraw/zinc/89/03/66/1259890366.db2.gz SRIMMIZSPXCFRU-GOSISDBHSA-N 3 2 366.550 0.973 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H]1CC[N@H+](C)C1)C2 ZINC001255432327 1259913016 /nfs/dbraw/zinc/91/30/16/1259913016.db2.gz PVSMKFBZCBMEOV-SJORKVTESA-N 2 2 363.506 0.372 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H]1CC[N@@H+](C)C1)C2 ZINC001255432327 1259913021 /nfs/dbraw/zinc/91/30/21/1259913021.db2.gz PVSMKFBZCBMEOV-SJORKVTESA-N 2 2 363.506 0.372 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H]1CC[N@H+](C)C1)CC2 ZINC001255435282 1259913034 /nfs/dbraw/zinc/91/30/34/1259913034.db2.gz DBUBQPDIYGDSIF-CQSZACIVSA-N 2 2 357.462 0.109 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H]1CC[N@@H+](C)C1)CC2 ZINC001255435282 1259913040 /nfs/dbraw/zinc/91/30/40/1259913040.db2.gz DBUBQPDIYGDSIF-CQSZACIVSA-N 2 2 357.462 0.109 20 0 FCADLP CC1(C)C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCO1 ZINC001255537260 1259920321 /nfs/dbraw/zinc/92/03/21/1259920321.db2.gz OIQVVLPDGKUTQI-QEJZJMRPSA-N 2 2 363.462 0.359 20 0 FCADLP NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074290 1259934114 /nfs/dbraw/zinc/93/41/14/1259934114.db2.gz QOQUEBBOLRIAOP-KRWDZBQOSA-N 2 2 360.458 0.121 20 0 FCADLP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001256201311 1259935915 /nfs/dbraw/zinc/93/59/15/1259935915.db2.gz DQVQUUHFLFOTTP-ROUUACIJSA-N 2 2 360.502 0.908 20 0 FCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001256334595 1259944750 /nfs/dbraw/zinc/94/47/50/1259944750.db2.gz WVMNEAOPQDVOHI-KFWWJZLASA-N 2 2 370.494 0.550 20 0 FCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256336140 1259947020 /nfs/dbraw/zinc/94/70/20/1259947020.db2.gz NKOOQCAFPVKVSJ-CQSZACIVSA-N 2 2 359.430 0.915 20 0 FCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001256336140 1259947027 /nfs/dbraw/zinc/94/70/27/1259947027.db2.gz NKOOQCAFPVKVSJ-CQSZACIVSA-N 2 2 359.430 0.915 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCOC[C@H]2CC2CCOCC2)CC1 ZINC001336194062 1260035548 /nfs/dbraw/zinc/03/55/48/1260035548.db2.gz UZTQWUKULJRUPB-QGZVFWFLSA-N 2 2 354.495 0.637 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001261315112 1260114995 /nfs/dbraw/zinc/11/49/95/1260114995.db2.gz QGELFIOAZOONTK-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)CC[N@H+](C)C1 ZINC001261365408 1260126903 /nfs/dbraw/zinc/12/69/03/1260126903.db2.gz NYBQNFLONWRWPM-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)CC[N@@H+](C)C1 ZINC001261365408 1260126906 /nfs/dbraw/zinc/12/69/06/1260126906.db2.gz NYBQNFLONWRWPM-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365408 1260126908 /nfs/dbraw/zinc/12/69/08/1260126908.db2.gz NYBQNFLONWRWPM-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365408 1260126914 /nfs/dbraw/zinc/12/69/14/1260126914.db2.gz NYBQNFLONWRWPM-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515787 1260153685 /nfs/dbraw/zinc/15/36/85/1260153685.db2.gz UJVZCFXUHFVZDL-BBWFWOEESA-N 2 2 364.494 0.818 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515787 1260153689 /nfs/dbraw/zinc/15/36/89/1260153689.db2.gz UJVZCFXUHFVZDL-BBWFWOEESA-N 2 2 364.494 0.818 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC001261904681 1260212735 /nfs/dbraw/zinc/21/27/35/1260212735.db2.gz LXUXAWCWHQHNOS-UHFFFAOYSA-N 2 2 374.489 0.707 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001336803328 1260226570 /nfs/dbraw/zinc/22/65/70/1260226570.db2.gz ZARQJOKJCNLMGY-SUMDDJOVSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001336803328 1260226577 /nfs/dbraw/zinc/22/65/77/1260226577.db2.gz ZARQJOKJCNLMGY-SUMDDJOVSA-N 2 2 351.491 0.797 20 0 FCADLP [NH3+]C1CC2(C1)CC(NC(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC001336975238 1260273784 /nfs/dbraw/zinc/27/37/84/1260273784.db2.gz KKYYHSRIBKSTLS-UJCFSERGSA-N 2 2 354.520 0.763 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001262365679 1260309013 /nfs/dbraw/zinc/30/90/13/1260309013.db2.gz JCQBOGWTZQHEIX-IKGGRYGDSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001262365679 1260309023 /nfs/dbraw/zinc/30/90/23/1260309023.db2.gz JCQBOGWTZQHEIX-IKGGRYGDSA-N 2 2 359.474 0.901 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001332095277 1266335559 /nfs/dbraw/zinc/33/55/59/1266335559.db2.gz YPDGMJUXJUOJDV-UHFFFAOYSA-N 2 2 373.545 0.544 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)NCc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC001332095277 1266335570 /nfs/dbraw/zinc/33/55/70/1266335570.db2.gz YPDGMJUXJUOJDV-UHFFFAOYSA-N 2 2 373.545 0.544 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)CC1 ZINC001272905863 1260525149 /nfs/dbraw/zinc/52/51/49/1260525149.db2.gz SLCNFRAPHLOBNS-SFHVURJKSA-N 2 2 359.474 0.961 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)CCc2c[nH]c[nH+]2)C3)CC1 ZINC001273016193 1260564953 /nfs/dbraw/zinc/56/49/53/1260564953.db2.gz VSIMUFGUMUYAJX-INIZCTEOSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(C(=O)CCc2c[nH+]c[nH]2)C3)CC1 ZINC001273016193 1260564962 /nfs/dbraw/zinc/56/49/62/1260564962.db2.gz VSIMUFGUMUYAJX-INIZCTEOSA-N 2 2 359.474 0.743 20 0 FCADLP Cn1c[nH+]cc1CN1c2ccccc2[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001277730757 1260666101 /nfs/dbraw/zinc/66/61/01/1260666101.db2.gz PGYWPOSQJCFCSQ-HNAYVOBHSA-N 2 2 356.426 0.264 20 0 FCADLP Cn1c[nH+]cc1CN1c2ccccc2[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001277730757 1260666107 /nfs/dbraw/zinc/66/61/07/1260666107.db2.gz PGYWPOSQJCFCSQ-HNAYVOBHSA-N 2 2 356.426 0.264 20 0 FCADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001278907317 1260757846 /nfs/dbraw/zinc/75/78/46/1260757846.db2.gz NSUYTEWMDGJBTQ-NXHRZFHOSA-N 2 2 361.486 0.530 20 0 FCADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001278907317 1260757850 /nfs/dbraw/zinc/75/78/50/1260757850.db2.gz NSUYTEWMDGJBTQ-NXHRZFHOSA-N 2 2 361.486 0.530 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501456 1260880708 /nfs/dbraw/zinc/88/07/08/1260880708.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501456 1260880712 /nfs/dbraw/zinc/88/07/12/1260880712.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501456 1260880716 /nfs/dbraw/zinc/88/07/16/1260880716.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501456 1260880721 /nfs/dbraw/zinc/88/07/21/1260880721.db2.gz GKSHZLKOEXGGEB-AZUAARDMSA-N 3 2 365.566 0.546 20 0 FCADLP CCOC(=O)c1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)n1 ZINC001279646805 1260908284 /nfs/dbraw/zinc/90/82/84/1260908284.db2.gz SDHNQZAWFMVXDB-CALCHBBNSA-N 2 2 362.474 0.705 20 0 FCADLP CCOC(=O)c1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)n1 ZINC001279646805 1260908287 /nfs/dbraw/zinc/90/82/87/1260908287.db2.gz SDHNQZAWFMVXDB-CALCHBBNSA-N 2 2 362.474 0.705 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2CC23C[NH+](Cc2cncnc2)C3)cn1 ZINC001279972640 1260977275 /nfs/dbraw/zinc/97/72/75/1260977275.db2.gz SAELBUKLNLHYRA-MRXNPFEDSA-N 2 2 355.446 0.695 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CCn3ccnc3)C[C@H]21 ZINC001280039918 1260982574 /nfs/dbraw/zinc/98/25/74/1260982574.db2.gz USGSOQADLXTVTP-KSZLIROESA-N 2 2 359.474 0.279 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]21 ZINC001280039918 1260982578 /nfs/dbraw/zinc/98/25/78/1260982578.db2.gz USGSOQADLXTVTP-KSZLIROESA-N 2 2 359.474 0.279 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CCn3ccnc3)C[C@@H]21 ZINC001280039920 1260983406 /nfs/dbraw/zinc/98/34/06/1260983406.db2.gz USGSOQADLXTVTP-SQNIBIBYSA-N 2 2 359.474 0.279 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CCn3ccnc3)C[C@@H]21 ZINC001280039920 1260983408 /nfs/dbraw/zinc/98/34/08/1260983408.db2.gz USGSOQADLXTVTP-SQNIBIBYSA-N 2 2 359.474 0.279 20 0 FCADLP Cn1c(=O)cccc1C(=O)N1CCO[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@@H]21 ZINC001280070193 1260989238 /nfs/dbraw/zinc/98/92/38/1260989238.db2.gz ONCQEWOJKOCPJM-IRXDYDNUSA-N 2 2 360.458 0.005 20 0 FCADLP Cn1c(=O)cccc1C(=O)N1CCO[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@@H]21 ZINC001280070193 1260989241 /nfs/dbraw/zinc/98/92/41/1260989241.db2.gz ONCQEWOJKOCPJM-IRXDYDNUSA-N 2 2 360.458 0.005 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280303529 1261052368 /nfs/dbraw/zinc/05/23/68/1261052368.db2.gz WHKLYTSJGVONGH-LJQANCHMSA-N 2 2 365.522 0.620 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280303529 1261052370 /nfs/dbraw/zinc/05/23/70/1261052370.db2.gz WHKLYTSJGVONGH-LJQANCHMSA-N 2 2 365.522 0.620 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280341147 1261058443 /nfs/dbraw/zinc/05/84/43/1261058443.db2.gz CNRZTDXOIAGWSR-JKSUJKDBSA-N 2 2 360.462 0.126 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001280341147 1261058446 /nfs/dbraw/zinc/05/84/46/1261058446.db2.gz CNRZTDXOIAGWSR-JKSUJKDBSA-N 2 2 360.462 0.126 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@H+](Cc4cnc[nH]4)C[C@@H]3O2)CC1 ZINC001280341983 1261059409 /nfs/dbraw/zinc/05/94/09/1261059409.db2.gz SMGCYYATUIJRON-JLSDUUJJSA-N 2 2 361.490 0.942 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@@H]2C[C@@H]3C[N@@H+](Cc4cnc[nH]4)C[C@@H]3O2)CC1 ZINC001280341983 1261059413 /nfs/dbraw/zinc/05/94/13/1261059413.db2.gz SMGCYYATUIJRON-JLSDUUJJSA-N 2 2 361.490 0.942 20 0 FCADLP CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001280373995 1261061818 /nfs/dbraw/zinc/06/18/18/1261061818.db2.gz GVJZQKUXWYYWBB-KLHDSHLOSA-N 2 2 361.490 0.924 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281847828 1261230916 /nfs/dbraw/zinc/23/09/16/1261230916.db2.gz KCQYWQOZUMPLNX-INMHGKMJSA-N 2 2 365.478 0.271 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001281847828 1261230918 /nfs/dbraw/zinc/23/09/18/1261230918.db2.gz KCQYWQOZUMPLNX-INMHGKMJSA-N 2 2 365.478 0.271 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001281985103 1261320842 /nfs/dbraw/zinc/32/08/42/1261320842.db2.gz DQDOVENHFNTNKX-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001281985103 1261320848 /nfs/dbraw/zinc/32/08/48/1261320848.db2.gz DQDOVENHFNTNKX-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP COc1cc2c(cc1C[NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)OCO2 ZINC001473996428 1261504156 /nfs/dbraw/zinc/50/41/56/1261504156.db2.gz VGKPOOVUQUAPGQ-MRXNPFEDSA-N 2 2 363.458 0.920 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(-c2cccnc2)n1 ZINC001473995579 1261504685 /nfs/dbraw/zinc/50/46/85/1261504685.db2.gz ILRKLKXPXVTSAV-LJQANCHMSA-N 2 2 370.501 0.978 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001345104437 1261635723 /nfs/dbraw/zinc/63/57/23/1261635723.db2.gz QDANKHBFRJOCIF-ULQDDVLXSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001345104437 1261635730 /nfs/dbraw/zinc/63/57/30/1261635730.db2.gz QDANKHBFRJOCIF-ULQDDVLXSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001345104435 1261636302 /nfs/dbraw/zinc/63/63/02/1261636302.db2.gz QDANKHBFRJOCIF-BBWFWOEESA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001345104435 1261636308 /nfs/dbraw/zinc/63/63/08/1261636308.db2.gz QDANKHBFRJOCIF-BBWFWOEESA-N 2 2 373.501 0.944 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC1 ZINC001345132327 1261638292 /nfs/dbraw/zinc/63/82/92/1261638292.db2.gz MQTDCCADOXGPHQ-CABCVRRESA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143480 1261641442 /nfs/dbraw/zinc/64/14/42/1261641442.db2.gz WUVCRJQMICVPQO-ZBFHGGJFSA-N 2 2 361.490 0.677 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143480 1261641449 /nfs/dbraw/zinc/64/14/49/1261641449.db2.gz WUVCRJQMICVPQO-ZBFHGGJFSA-N 2 2 361.490 0.677 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001284058582 1261731130 /nfs/dbraw/zinc/73/11/30/1261731130.db2.gz DJCZSYIKLFHREQ-RRCSTGOVSA-N 2 2 359.474 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001284058582 1261731133 /nfs/dbraw/zinc/73/11/33/1261731133.db2.gz DJCZSYIKLFHREQ-RRCSTGOVSA-N 2 2 359.474 0.771 20 0 FCADLP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284235123 1261738048 /nfs/dbraw/zinc/73/80/48/1261738048.db2.gz ASZMVZUPWYRZKA-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC001296458837 1262813994 /nfs/dbraw/zinc/81/39/94/1262813994.db2.gz RVULQZWZTZANEN-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC001296458837 1262814006 /nfs/dbraw/zinc/81/40/06/1262814006.db2.gz RVULQZWZTZANEN-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CN(C(=O)NCc1nc2ncccn2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001478839792 1263147392 /nfs/dbraw/zinc/14/73/92/1263147392.db2.gz BWVJMWRLYBIIPH-HNNXBMFYSA-N 2 2 372.477 0.434 20 0 FCADLP CN(C(=O)NCc1nc2ncccn2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001478839792 1263147396 /nfs/dbraw/zinc/14/73/96/1263147396.db2.gz BWVJMWRLYBIIPH-HNNXBMFYSA-N 2 2 372.477 0.434 20 0 FCADLP NC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC001308344371 1263216431 /nfs/dbraw/zinc/21/64/31/1263216431.db2.gz HEEIWQAAQCEVNE-QGZVFWFLSA-N 2 2 358.446 0.010 20 0 FCADLP NC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nn1 ZINC001308344371 1263216434 /nfs/dbraw/zinc/21/64/34/1263216434.db2.gz HEEIWQAAQCEVNE-QGZVFWFLSA-N 2 2 358.446 0.010 20 0 FCADLP CN(CC(C)(C)C[NH2+]Cc1cnnn1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485261241 1263500310 /nfs/dbraw/zinc/50/03/10/1263500310.db2.gz BVSQCLKVNVIRBZ-HUUCEWRRSA-N 2 2 359.478 0.927 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318772012 1263608554 /nfs/dbraw/zinc/60/85/54/1263608554.db2.gz LXGLTDPRXPIIDX-SJORKVTESA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318772012 1263608556 /nfs/dbraw/zinc/60/85/56/1263608556.db2.gz LXGLTDPRXPIIDX-SJORKVTESA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001318772012 1263608564 /nfs/dbraw/zinc/60/85/64/1263608564.db2.gz LXGLTDPRXPIIDX-SJORKVTESA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001318772012 1263608571 /nfs/dbraw/zinc/60/85/71/1263608571.db2.gz LXGLTDPRXPIIDX-SJORKVTESA-N 2 2 359.474 0.360 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001318923204 1263626387 /nfs/dbraw/zinc/62/63/87/1263626387.db2.gz CHZIBIOUGPYRQX-AWEZNQCLSA-N 3 2 356.430 0.924 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001496706922 1263888244 /nfs/dbraw/zinc/88/82/44/1263888244.db2.gz LZVLYMPVQNICAC-HZPDHXFCSA-N 2 2 361.552 0.930 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001496706922 1263888254 /nfs/dbraw/zinc/88/82/54/1263888254.db2.gz LZVLYMPVQNICAC-HZPDHXFCSA-N 2 2 361.552 0.930 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496706922 1263888275 /nfs/dbraw/zinc/88/82/75/1263888275.db2.gz LZVLYMPVQNICAC-HZPDHXFCSA-N 2 2 361.552 0.930 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496706922 1263888285 /nfs/dbraw/zinc/88/82/85/1263888285.db2.gz LZVLYMPVQNICAC-HZPDHXFCSA-N 2 2 361.552 0.930 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@@H+]1C ZINC001496979915 1263907370 /nfs/dbraw/zinc/90/73/70/1263907370.db2.gz WWMRCTJQWUDUAY-JHJVBQTASA-N 2 2 353.467 0.274 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@H+]1C ZINC001496979915 1263907381 /nfs/dbraw/zinc/90/73/81/1263907381.db2.gz WWMRCTJQWUDUAY-JHJVBQTASA-N 2 2 353.467 0.274 20 0 FCADLP C[C@H](C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)n1cc[nH+]c1 ZINC001321581196 1264001088 /nfs/dbraw/zinc/00/10/88/1264001088.db2.gz RSLFAQRURJUMNL-MRXNPFEDSA-N 2 2 357.462 0.953 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)[NH+]1CCOCC1 ZINC001321643033 1264019924 /nfs/dbraw/zinc/01/99/24/1264019924.db2.gz ONDPSQWDIKEXBR-IKGGRYGDSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC001321957263 1264109667 /nfs/dbraw/zinc/10/96/67/1264109667.db2.gz DQJIFIDQUZNEQN-OAHLLOKOSA-N 2 2 373.501 0.934 20 0 FCADLP CC[C@]1(O)CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001322573711 1264220677 /nfs/dbraw/zinc/22/06/77/1264220677.db2.gz IMNGHHBDLQCNMS-IBGZPJMESA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001323850391 1264528311 /nfs/dbraw/zinc/52/83/11/1264528311.db2.gz CHDCOGYMOPKLQU-INMHGKMJSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001323850391 1264528318 /nfs/dbraw/zinc/52/83/18/1264528318.db2.gz CHDCOGYMOPKLQU-INMHGKMJSA-N 2 2 373.501 0.800 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001512845539 1264690056 /nfs/dbraw/zinc/69/00/56/1264690056.db2.gz YZSNYGNXXSSDBY-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001512845539 1264690061 /nfs/dbraw/zinc/69/00/61/1264690061.db2.gz YZSNYGNXXSSDBY-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC001324907603 1264734100 /nfs/dbraw/zinc/73/41/00/1264734100.db2.gz SPRHKNCKBWJTST-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC001324907603 1264734103 /nfs/dbraw/zinc/73/41/03/1264734103.db2.gz SPRHKNCKBWJTST-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001580403291 1278233784 /nfs/dbraw/zinc/23/37/84/1278233784.db2.gz YJGHLBRMNSWIGS-GFCCVEGCSA-N 2 2 354.418 0.437 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@](C)(O)CC3)C2)CC1 ZINC001326623994 1265144981 /nfs/dbraw/zinc/14/49/81/1265144981.db2.gz QBWITPSYFIZQPP-DNVCBOLYSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@](C)(O)CC3)C2)CC1 ZINC001326623994 1265144986 /nfs/dbraw/zinc/14/49/86/1265144986.db2.gz QBWITPSYFIZQPP-DNVCBOLYSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC(C3CC3)C3CC3)CC2)CC1 ZINC001327392861 1265300336 /nfs/dbraw/zinc/30/03/36/1265300336.db2.gz QOSAWXFDWRNOSP-UHFFFAOYSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001327676336 1265392805 /nfs/dbraw/zinc/39/28/05/1265392805.db2.gz VNEPZHRVVIYQMR-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 ZINC001332774468 1266474943 /nfs/dbraw/zinc/47/49/43/1266474943.db2.gz BRGQPOBAOKUSNU-ZACQAIPSSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001527038895 1266864578 /nfs/dbraw/zinc/86/45/78/1266864578.db2.gz SSGIKTFDIKUFBD-OLMNPRSZSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001527038895 1266864595 /nfs/dbraw/zinc/86/45/95/1266864595.db2.gz SSGIKTFDIKUFBD-OLMNPRSZSA-N 2 2 369.469 0.919 20 0 FCADLP CCOC(=O)c1ncc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC001334172279 1266865343 /nfs/dbraw/zinc/86/53/43/1266865343.db2.gz NEOXWMBVHDQMRC-AWEZNQCLSA-N 2 2 368.503 0.816 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001334248632 1266909107 /nfs/dbraw/zinc/90/91/07/1266909107.db2.gz XTLPCGRMJSKYTN-CQSZACIVSA-N 2 2 368.432 0.591 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001334248631 1266910032 /nfs/dbraw/zinc/91/00/32/1266910032.db2.gz XTLPCGRMJSKYTN-AWEZNQCLSA-N 2 2 368.432 0.591 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001334406420 1266984345 /nfs/dbraw/zinc/98/43/45/1266984345.db2.gz QGCWBBZBZLPSQJ-NZSAHSFTSA-N 2 2 370.497 0.960 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001535355821 1267292699 /nfs/dbraw/zinc/29/26/99/1267292699.db2.gz BLLWWDJDGNIVNM-UHFFFAOYSA-N 2 2 371.441 0.879 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3OCC[C@H]3C(N)=O)CC2)CC1 ZINC001548378800 1267691467 /nfs/dbraw/zinc/69/14/67/1267691467.db2.gz PYBQLSAZLDRCHF-USXIJHARSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC001548897266 1267767008 /nfs/dbraw/zinc/76/70/08/1267767008.db2.gz MPYVIPCWWZVMJS-IFIJOSMWSA-N 2 2 362.478 0.864 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001549152658 1267830742 /nfs/dbraw/zinc/83/07/42/1267830742.db2.gz FTEICXZRVVFFEC-ZOMKSWQUSA-N 2 2 362.478 0.912 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153493 1267831598 /nfs/dbraw/zinc/83/15/98/1267831598.db2.gz QWVIPBQPRAZIFI-CPUCHLNUSA-N 2 2 362.478 0.866 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153493 1267831607 /nfs/dbraw/zinc/83/16/07/1267831607.db2.gz QWVIPBQPRAZIFI-CPUCHLNUSA-N 2 2 362.478 0.866 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC001549154463 1267833923 /nfs/dbraw/zinc/83/39/23/1267833923.db2.gz XLHGBKFORPGAIC-QEORTHHSSA-N 2 2 362.478 0.769 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001549157716 1267834909 /nfs/dbraw/zinc/83/49/09/1267834909.db2.gz ZAUAXFKGFYWMPY-MAUKXSAKSA-N 2 2 374.489 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001549159996 1267838497 /nfs/dbraw/zinc/83/84/97/1267838497.db2.gz KOMFGAWFTYSHCJ-SHFYGJNESA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001549159996 1267838507 /nfs/dbraw/zinc/83/85/07/1267838507.db2.gz KOMFGAWFTYSHCJ-SHFYGJNESA-N 2 2 360.462 0.475 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549159114 1267839090 /nfs/dbraw/zinc/83/90/90/1267839090.db2.gz SZJKVXKDYBNVIJ-WMLDXEAASA-N 2 2 362.478 0.723 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549162444 1267841906 /nfs/dbraw/zinc/84/19/06/1267841906.db2.gz NVGFGJUOCWMLKN-CPUCHLNUSA-N 2 2 362.478 0.913 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549162444 1267841917 /nfs/dbraw/zinc/84/19/17/1267841917.db2.gz NVGFGJUOCWMLKN-CPUCHLNUSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549176799 1267853915 /nfs/dbraw/zinc/85/39/15/1267853915.db2.gz XBJGJONTXQPXDL-HINSOXJESA-N 2 2 360.462 0.510 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549493001 1267926047 /nfs/dbraw/zinc/92/60/47/1267926047.db2.gz MWMCFEBIYRQVIC-ROUUACIJSA-N 2 2 364.534 0.774 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001338491301 1267958616 /nfs/dbraw/zinc/95/86/16/1267958616.db2.gz GXINNSBZZLFPHM-LSBZLQRGSA-N 2 2 364.490 0.609 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001338491301 1267958626 /nfs/dbraw/zinc/95/86/26/1267958626.db2.gz GXINNSBZZLFPHM-LSBZLQRGSA-N 2 2 364.490 0.609 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001549808316 1268002907 /nfs/dbraw/zinc/00/29/07/1268002907.db2.gz VNCFWEKRMGEMJH-JLJPHGGASA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001549808316 1268002919 /nfs/dbraw/zinc/00/29/19/1268002919.db2.gz VNCFWEKRMGEMJH-JLJPHGGASA-N 2 2 362.478 0.721 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894737 1268014630 /nfs/dbraw/zinc/01/46/30/1268014630.db2.gz ORFOXTHOMHCTBH-KBAYOESNSA-N 2 2 371.485 0.592 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894737 1268014633 /nfs/dbraw/zinc/01/46/33/1268014633.db2.gz ORFOXTHOMHCTBH-KBAYOESNSA-N 2 2 371.485 0.592 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H](N3CC[NH+](C)CC3)C1)n2C ZINC001550002281 1268040577 /nfs/dbraw/zinc/04/05/77/1268040577.db2.gz SEBMYGKQYZMKIA-CQSZACIVSA-N 2 2 371.489 0.496 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001550000959 1268040907 /nfs/dbraw/zinc/04/09/07/1268040907.db2.gz JASVXEWNCCLSAQ-HCXYKTFWSA-N 2 2 366.550 0.969 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001550000959 1268040922 /nfs/dbraw/zinc/04/09/22/1268040922.db2.gz JASVXEWNCCLSAQ-HCXYKTFWSA-N 2 2 366.550 0.969 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[C@@H](C[NH+]3CCOCC3)O1)C2 ZINC001550571207 1268134407 /nfs/dbraw/zinc/13/44/07/1268134407.db2.gz FSXLUSFLLTXGLN-JENIJYKNSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[C@@H](C[NH+]3CCOCC3)O1)C2 ZINC001550571207 1268134410 /nfs/dbraw/zinc/13/44/10/1268134410.db2.gz FSXLUSFLLTXGLN-JENIJYKNSA-N 2 2 351.491 0.811 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3COCC[C@@H]3[NH3+])C2)c1 ZINC001550760218 1268164042 /nfs/dbraw/zinc/16/40/42/1268164042.db2.gz IFAKZMDLTZPLEQ-FGTMMUONSA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3COCC[C@@H]3[NH3+])C2)c1 ZINC001550760218 1268164045 /nfs/dbraw/zinc/16/40/45/1268164045.db2.gz IFAKZMDLTZPLEQ-FGTMMUONSA-N 2 2 362.474 0.611 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@@H]1[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001551387263 1268230880 /nfs/dbraw/zinc/23/08/80/1268230880.db2.gz JAOROQLYJROFTR-ZWKOTPCHSA-N 2 2 374.485 0.858 20 0 FCADLP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001339428344 1268235467 /nfs/dbraw/zinc/23/54/67/1268235467.db2.gz XVRAKRDPFDORHM-KGLIPLIRSA-N 2 2 364.450 0.084 20 0 FCADLP CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001339428343 1268235681 /nfs/dbraw/zinc/23/56/81/1268235681.db2.gz XVRAKRDPFDORHM-KBPBESRZSA-N 2 2 364.450 0.084 20 0 FCADLP Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001551587573 1268279186 /nfs/dbraw/zinc/27/91/86/1268279186.db2.gz PMCIXXHGMVUXIO-XJKSGUPXSA-N 2 2 350.467 0.220 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C[S@](C)=O)n3C)CC2)CC1 ZINC001339637159 1268290268 /nfs/dbraw/zinc/29/02/68/1268290268.db2.gz XZFSJVKEJUOQIL-VWLOTQADSA-N 2 2 368.551 0.690 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C[S@](C)=O)n3C)CC2)CC1 ZINC001339637159 1268290273 /nfs/dbraw/zinc/29/02/73/1268290273.db2.gz XZFSJVKEJUOQIL-VWLOTQADSA-N 2 2 368.551 0.690 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nn1 ZINC001552166927 1268398361 /nfs/dbraw/zinc/39/83/61/1268398361.db2.gz DVOIZKZKLUDWDQ-CJNGLKHVSA-N 2 2 359.434 0.109 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nn1 ZINC001552166927 1268398371 /nfs/dbraw/zinc/39/83/71/1268398371.db2.gz DVOIZKZKLUDWDQ-CJNGLKHVSA-N 2 2 359.434 0.109 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC001552167118 1268400199 /nfs/dbraw/zinc/40/01/99/1268400199.db2.gz MRUKMLAKAHJGEM-UMVBOHGHSA-N 2 2 359.434 0.109 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1)Nc1ccccc1 ZINC001552199419 1268407117 /nfs/dbraw/zinc/40/71/17/1268407117.db2.gz DYKCDIBUFVHYMI-FOIQADDNSA-N 2 2 372.469 0.442 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)([NH+]2CCCCC2)CC1 ZINC001552202947 1268409488 /nfs/dbraw/zinc/40/94/88/1268409488.db2.gz UBJQLIUNZRNEPS-APWZRJJASA-N 3 2 350.507 0.289 20 0 FCADLP CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001340047171 1268417277 /nfs/dbraw/zinc/41/72/77/1268417277.db2.gz DXLJDNGSHMJTTA-HNNXBMFYSA-N 2 2 359.478 0.781 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@@H]1C ZINC001340052774 1268418613 /nfs/dbraw/zinc/41/86/13/1268418613.db2.gz BZUPWPDYUPBUBV-ZENOOKHLSA-N 2 2 374.493 0.877 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@@H]1C ZINC001340052774 1268418616 /nfs/dbraw/zinc/41/86/16/1268418616.db2.gz BZUPWPDYUPBUBV-ZENOOKHLSA-N 2 2 374.493 0.877 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)Nc1ccnn1CC[NH+](C)C ZINC001552367667 1268450938 /nfs/dbraw/zinc/45/09/38/1268450938.db2.gz PEQFHWRSJMUYGW-BLLLJJGKSA-N 2 2 374.449 0.320 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001552372594 1268455937 /nfs/dbraw/zinc/45/59/37/1268455937.db2.gz YAKBZOWVQUESOU-WMLDXEAASA-N 2 2 372.429 0.899 20 0 FCADLP O=C([C@@H]1CCCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001552423028 1268459781 /nfs/dbraw/zinc/45/97/81/1268459781.db2.gz HQJYBBQUJJKKHE-MRXNPFEDSA-N 2 2 374.489 0.352 20 0 FCADLP O=C([C@@H]1CCCC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001552423028 1268459787 /nfs/dbraw/zinc/45/97/87/1268459787.db2.gz HQJYBBQUJJKKHE-MRXNPFEDSA-N 2 2 374.489 0.352 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1n1ccnn1 ZINC001552597417 1268481359 /nfs/dbraw/zinc/48/13/59/1268481359.db2.gz MXOZJOQTXOZASM-HZPDHXFCSA-N 2 2 372.477 0.550 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC001552690830 1268522562 /nfs/dbraw/zinc/52/25/62/1268522562.db2.gz KZVJLBCJGFVNNI-QGZVFWFLSA-N 2 2 361.490 0.687 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC001552690830 1268522571 /nfs/dbraw/zinc/52/25/71/1268522571.db2.gz KZVJLBCJGFVNNI-QGZVFWFLSA-N 2 2 361.490 0.687 20 0 FCADLP CN(C(=O)C(=O)NCCC(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001340389432 1268532594 /nfs/dbraw/zinc/53/25/94/1268532594.db2.gz MFAUDKKZBWQUJM-CYBMUJFWSA-N 2 2 364.412 0.682 20 0 FCADLP CN(C(=O)C(=O)NCCC(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001340389432 1268532601 /nfs/dbraw/zinc/53/26/01/1268532601.db2.gz MFAUDKKZBWQUJM-CYBMUJFWSA-N 2 2 364.412 0.682 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)c1C ZINC001552799394 1268549572 /nfs/dbraw/zinc/54/95/72/1268549572.db2.gz OBDRVJMUMVQAGJ-HZPDHXFCSA-N 2 2 373.461 0.995 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001553002118 1268577295 /nfs/dbraw/zinc/57/72/95/1268577295.db2.gz HRXWFUIQVYJRLI-SARNLOFESA-N 2 2 361.490 0.977 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001553002118 1268577299 /nfs/dbraw/zinc/57/72/99/1268577299.db2.gz HRXWFUIQVYJRLI-SARNLOFESA-N 2 2 361.490 0.977 20 0 FCADLP O=C([C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001553056980 1268586174 /nfs/dbraw/zinc/58/61/74/1268586174.db2.gz JTUGZZWYGLZXSF-ZWKOTPCHSA-N 2 2 360.458 0.610 20 0 FCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553103697 1268590970 /nfs/dbraw/zinc/59/09/70/1268590970.db2.gz TUEIBKWNFQOHPZ-XWTMOSNGSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553103697 1268590974 /nfs/dbraw/zinc/59/09/74/1268590974.db2.gz TUEIBKWNFQOHPZ-XWTMOSNGSA-N 2 2 351.491 0.951 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)n1 ZINC001553171642 1268603883 /nfs/dbraw/zinc/60/38/83/1268603883.db2.gz JZZATFWYFIAINV-XHSDSOJGSA-N 2 2 358.446 0.707 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)n1 ZINC001553171642 1268603893 /nfs/dbraw/zinc/60/38/93/1268603893.db2.gz JZZATFWYFIAINV-XHSDSOJGSA-N 2 2 358.446 0.707 20 0 FCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)CC2)cn1 ZINC001553405753 1268646273 /nfs/dbraw/zinc/64/62/73/1268646273.db2.gz DEBFEUWEKNDBOA-BZSNNMDCSA-N 2 2 361.490 0.847 20 0 FCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)CC2)cn1 ZINC001553405753 1268646282 /nfs/dbraw/zinc/64/62/82/1268646282.db2.gz DEBFEUWEKNDBOA-BZSNNMDCSA-N 2 2 361.490 0.847 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[NH+]1CCOCC1 ZINC001553443302 1268649737 /nfs/dbraw/zinc/64/97/37/1268649737.db2.gz HCMPBZKINOGYRB-FRQCXROJSA-N 2 2 368.522 0.883 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)([NH+]2CCOCC2)C1 ZINC001553475729 1268656746 /nfs/dbraw/zinc/65/67/46/1268656746.db2.gz FAFPXVULIHMODV-JVGQSUMCSA-N 2 2 366.506 0.698 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553546160 1268666784 /nfs/dbraw/zinc/66/67/84/1268666784.db2.gz GEIREFBMOIPTML-JKSUJKDBSA-N 2 2 350.442 0.436 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C12CC(C1)C[NH2+]2 ZINC001340966597 1268728873 /nfs/dbraw/zinc/72/88/73/1268728873.db2.gz JHXGTCYWPUMQEW-HVEKOLDVSA-N 2 2 372.473 0.150 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C12CC(C1)C[NH2+]2 ZINC001340966597 1268728880 /nfs/dbraw/zinc/72/88/80/1268728880.db2.gz JHXGTCYWPUMQEW-HVEKOLDVSA-N 2 2 372.473 0.150 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001341344765 1268945659 /nfs/dbraw/zinc/94/56/59/1268945659.db2.gz JVDPIIWLMHTESN-OAHLLOKOSA-N 2 2 350.467 0.679 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001341344765 1268945666 /nfs/dbraw/zinc/94/56/66/1268945666.db2.gz JVDPIIWLMHTESN-OAHLLOKOSA-N 2 2 350.467 0.679 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001341633891 1269122915 /nfs/dbraw/zinc/12/29/15/1269122915.db2.gz JAPCCQSUONEQDE-SQNIBIBYSA-N 2 2 351.491 0.857 20 0 FCADLP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001341716977 1269167168 /nfs/dbraw/zinc/16/71/68/1269167168.db2.gz LZAHXGLFORYAIF-YWZLYKJASA-N 2 2 359.470 0.976 20 0 FCADLP CCc1noc(COCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC001341742671 1269183110 /nfs/dbraw/zinc/18/31/10/1269183110.db2.gz BMCDJSYQUVZPTN-UHFFFAOYSA-N 2 2 365.478 0.823 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001561239052 1269221501 /nfs/dbraw/zinc/22/15/01/1269221501.db2.gz AFEJXGDWOWPJGI-UHFFFAOYSA-N 2 2 370.519 0.251 20 0 FCADLP CN(C(=O)[C@H]1CCC=CO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595594 1269480672 /nfs/dbraw/zinc/48/06/72/1269480672.db2.gz SHZOVJFQRKHVML-QGZVFWFLSA-N 2 2 364.490 0.376 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001565883524 1269502236 /nfs/dbraw/zinc/50/22/36/1269502236.db2.gz OOAOHACCEJHFRG-DLBZAZTESA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001565883524 1269502241 /nfs/dbraw/zinc/50/22/41/1269502241.db2.gz OOAOHACCEJHFRG-DLBZAZTESA-N 2 2 358.486 0.658 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001565926969 1269523340 /nfs/dbraw/zinc/52/33/40/1269523340.db2.gz IDWLSTXVAKJPNX-ISTRZQFTSA-N 2 2 360.462 0.613 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001342727356 1269579051 /nfs/dbraw/zinc/57/90/51/1269579051.db2.gz FNZVMKOEXCTGLF-AGUYFDCRSA-N 2 2 363.462 0.550 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001342727356 1269579072 /nfs/dbraw/zinc/57/90/72/1269579072.db2.gz FNZVMKOEXCTGLF-AGUYFDCRSA-N 2 2 363.462 0.550 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)CS(C)(=O)=O ZINC001566049687 1269583418 /nfs/dbraw/zinc/58/34/18/1269583418.db2.gz NAAYFURXEDWQFY-ZNMIVQPWSA-N 2 2 368.503 0.413 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)CS(C)(=O)=O ZINC001566049687 1269583421 /nfs/dbraw/zinc/58/34/21/1269583421.db2.gz NAAYFURXEDWQFY-ZNMIVQPWSA-N 2 2 368.503 0.413 20 0 FCADLP COC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001570420494 1269882927 /nfs/dbraw/zinc/88/29/27/1269882927.db2.gz JQJWHALGFMZDKU-RBSFLKMASA-N 2 2 350.463 0.502 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001343606017 1269961026 /nfs/dbraw/zinc/96/10/26/1269961026.db2.gz SIHFWZTWYURNJO-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001343606017 1269961031 /nfs/dbraw/zinc/96/10/31/1269961031.db2.gz SIHFWZTWYURNJO-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001343686714 1269983343 /nfs/dbraw/zinc/98/33/43/1269983343.db2.gz PAXPOAQSUZWKDZ-IAGOWNOFSA-N 2 2 368.441 0.923 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001343985922 1270068309 /nfs/dbraw/zinc/06/83/09/1270068309.db2.gz UXNYGEWKRXHNNQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001343985922 1270068320 /nfs/dbraw/zinc/06/83/20/1270068320.db2.gz UXNYGEWKRXHNNQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001343985922 1270068328 /nfs/dbraw/zinc/06/83/28/1270068328.db2.gz UXNYGEWKRXHNNQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001343985922 1270068333 /nfs/dbraw/zinc/06/83/33/1270068333.db2.gz UXNYGEWKRXHNNQ-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001344714381 1270228496 /nfs/dbraw/zinc/22/84/96/1270228496.db2.gz GRXFBULQQNEJPM-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027438 1271005712 /nfs/dbraw/zinc/00/57/12/1271005712.db2.gz HVFCFKHSETXOEN-GJZGRUSLSA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027438 1271005718 /nfs/dbraw/zinc/00/57/18/1271005718.db2.gz HVFCFKHSETXOEN-GJZGRUSLSA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574039161 1271022713 /nfs/dbraw/zinc/02/27/13/1271022713.db2.gz RMOXMLXSUDHGGP-INIZCTEOSA-N 2 2 368.445 0.994 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598707 1271402240 /nfs/dbraw/zinc/40/22/40/1271402240.db2.gz WSWJXXUESCRFHH-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574598707 1271402244 /nfs/dbraw/zinc/40/22/44/1271402244.db2.gz WSWJXXUESCRFHH-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574780352 1271514357 /nfs/dbraw/zinc/51/43/57/1271514357.db2.gz ZYPPJAWMYQMJRG-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574780352 1271514361 /nfs/dbraw/zinc/51/43/61/1271514361.db2.gz ZYPPJAWMYQMJRG-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574805441 1271546066 /nfs/dbraw/zinc/54/60/66/1271546066.db2.gz SMXLCSQXMDEWAZ-WFASDCNBSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574805441 1271546070 /nfs/dbraw/zinc/54/60/70/1271546070.db2.gz SMXLCSQXMDEWAZ-WFASDCNBSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+][C@]1(CO)CCC[NH2+]C1)O2 ZINC001575173096 1271763704 /nfs/dbraw/zinc/76/37/04/1271763704.db2.gz TZOSBLJFMQPJRA-WMLDXEAASA-N 2 2 355.479 0.859 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575295727 1271882620 /nfs/dbraw/zinc/88/26/20/1271882620.db2.gz YXJNZIHQEWTWKW-CYBMUJFWSA-N 2 2 366.429 0.700 20 0 FCADLP CC(C)(C[NH3+])C1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001575310519 1271903024 /nfs/dbraw/zinc/90/30/24/1271903024.db2.gz KMGGSJJUXFSXQM-UHFFFAOYSA-N 2 2 354.495 0.842 20 0 FCADLP CC(C)(C[NH3+])C1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001575310519 1271903035 /nfs/dbraw/zinc/90/30/35/1271903035.db2.gz KMGGSJJUXFSXQM-UHFFFAOYSA-N 2 2 354.495 0.842 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421493 1272082793 /nfs/dbraw/zinc/08/27/93/1272082793.db2.gz VKQJKZXPBPLDST-AEFFLSMTSA-N 2 2 364.494 0.511 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421493 1272082800 /nfs/dbraw/zinc/08/28/00/1272082800.db2.gz VKQJKZXPBPLDST-AEFFLSMTSA-N 2 2 364.494 0.511 20 0 FCADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001575971763 1272628544 /nfs/dbraw/zinc/62/85/44/1272628544.db2.gz HCJXHTYOQNSFJK-ZDUSSCGKSA-N 2 2 357.499 0.964 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001576008968 1272703237 /nfs/dbraw/zinc/70/32/37/1272703237.db2.gz VORLCPWYATUUEY-JLJPHGGASA-N 2 2 350.438 0.983 20 0 FCADLP C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063794 1272812454 /nfs/dbraw/zinc/81/24/54/1272812454.db2.gz FQMVBDWSXUWVLG-JKSUJKDBSA-N 2 2 371.489 0.522 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576255368 1273038723 /nfs/dbraw/zinc/03/87/23/1273038723.db2.gz JOPVBDPDTSZWCT-IUODEOHRSA-N 2 2 356.434 0.038 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576270013 1273065816 /nfs/dbraw/zinc/06/58/16/1273065816.db2.gz BTSCLOPEXLTRAL-STQMWFEESA-N 2 2 367.417 0.087 20 0 FCADLP CC[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[NH+](C)C ZINC001576501558 1273367423 /nfs/dbraw/zinc/36/74/23/1273367423.db2.gz XPEXSDHLVKHKAT-HNNXBMFYSA-N 2 2 372.477 0.865 20 0 FCADLP CC[C@H](C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576506714 1273378813 /nfs/dbraw/zinc/37/88/13/1273378813.db2.gz STZWHEGAOVWPIC-CQSZACIVSA-N 2 2 358.450 0.687 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558702 1273439679 /nfs/dbraw/zinc/43/96/79/1273439679.db2.gz ZLTACPYLKBUZHH-CVEARBPZSA-N 2 2 350.467 0.386 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558702 1273439680 /nfs/dbraw/zinc/43/96/80/1273439680.db2.gz ZLTACPYLKBUZHH-CVEARBPZSA-N 2 2 350.467 0.386 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H](F)C1C[NH2+]C1 ZINC001580719034 1278792560 /nfs/dbraw/zinc/79/25/60/1278792560.db2.gz XKLXYMAOASREAC-QGZVFWFLSA-N 2 2 351.422 0.571 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576834620 1273762000 /nfs/dbraw/zinc/76/20/00/1273762000.db2.gz GJQODRHTFAIQEL-LBPRGKRZSA-N 2 2 355.406 0.195 20 0 FCADLP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576840807 1273779275 /nfs/dbraw/zinc/77/92/75/1273779275.db2.gz JNEHTXISUZITOP-LBPRGKRZSA-N 2 2 355.406 0.195 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[NH2+]CC1 ZINC001576861564 1273823776 /nfs/dbraw/zinc/82/37/76/1273823776.db2.gz QDJCWVFZODVHBY-INIZCTEOSA-N 2 2 371.489 0.394 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[NH2+]CC1 ZINC001576861564 1273823786 /nfs/dbraw/zinc/82/37/86/1273823786.db2.gz QDJCWVFZODVHBY-INIZCTEOSA-N 2 2 371.489 0.394 20 0 FCADLP C[NH+]1CCC(OCC(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCCC2)CC1 ZINC001576883444 1273865648 /nfs/dbraw/zinc/86/56/48/1273865648.db2.gz NGCLRNQOWIPXBR-UHFFFAOYSA-N 2 2 350.467 0.434 20 0 FCADLP C[NH+]1CCC(OCC(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCCC2)CC1 ZINC001576883444 1273865658 /nfs/dbraw/zinc/86/56/58/1273865658.db2.gz NGCLRNQOWIPXBR-UHFFFAOYSA-N 2 2 350.467 0.434 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001576903579 1273910210 /nfs/dbraw/zinc/91/02/10/1273910210.db2.gz HNEIWOXOVVRLDY-QGZVFWFLSA-N 2 2 363.510 0.303 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001576903579 1273910223 /nfs/dbraw/zinc/91/02/23/1273910223.db2.gz HNEIWOXOVVRLDY-QGZVFWFLSA-N 2 2 363.510 0.303 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906184 1273915519 /nfs/dbraw/zinc/91/55/19/1273915519.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906184 1273915528 /nfs/dbraw/zinc/91/55/28/1273915528.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906184 1273915534 /nfs/dbraw/zinc/91/55/34/1273915534.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906184 1273915538 /nfs/dbraw/zinc/91/55/38/1273915538.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906184 1273915541 /nfs/dbraw/zinc/91/55/41/1273915541.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906184 1273915551 /nfs/dbraw/zinc/91/55/51/1273915551.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906184 1273915555 /nfs/dbraw/zinc/91/55/55/1273915555.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906184 1273915563 /nfs/dbraw/zinc/91/55/63/1273915563.db2.gz OJRIWEZPDCBGDZ-UKRRQHHQSA-N 2 2 370.448 0.905 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577557038 1274498873 /nfs/dbraw/zinc/49/88/73/1274498873.db2.gz PGAWEYWQEHSHDY-STQMWFEESA-N 2 2 356.434 0.393 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577557038 1274498874 /nfs/dbraw/zinc/49/88/74/1274498874.db2.gz PGAWEYWQEHSHDY-STQMWFEESA-N 2 2 356.434 0.393 20 0 FCADLP CCC[N@H+](C)CC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577563621 1274519066 /nfs/dbraw/zinc/51/90/66/1274519066.db2.gz UZRSOCJMJNMEMZ-UHFFFAOYSA-N 2 2 372.477 0.936 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577563621 1274519070 /nfs/dbraw/zinc/51/90/70/1274519070.db2.gz UZRSOCJMJNMEMZ-UHFFFAOYSA-N 2 2 372.477 0.936 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]3C[N@@H+](CCc4cn[nH]n4)C[C@@H]3C1)C2 ZINC001577572209 1274535358 /nfs/dbraw/zinc/53/53/58/1274535358.db2.gz QIVDOFSZBWECDX-HRCADAONSA-N 2 2 369.473 0.505 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]3C[N@H+](CCc4cn[nH]n4)C[C@@H]3C1)C2 ZINC001577572209 1274535364 /nfs/dbraw/zinc/53/53/64/1274535364.db2.gz QIVDOFSZBWECDX-HRCADAONSA-N 2 2 369.473 0.505 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]3C[N@@H+](CCc4c[nH]nn4)C[C@@H]3C1)C2 ZINC001577572209 1274535368 /nfs/dbraw/zinc/53/53/68/1274535368.db2.gz QIVDOFSZBWECDX-HRCADAONSA-N 2 2 369.473 0.505 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]3C[N@H+](CCc4c[nH]nn4)C[C@@H]3C1)C2 ZINC001577572209 1274535373 /nfs/dbraw/zinc/53/53/73/1274535373.db2.gz QIVDOFSZBWECDX-HRCADAONSA-N 2 2 369.473 0.505 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758313 1274838490 /nfs/dbraw/zinc/83/84/90/1274838490.db2.gz KLELZHIHVPWPBD-RDJZCZTQSA-N 2 2 362.478 0.181 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758313 1274838496 /nfs/dbraw/zinc/83/84/96/1274838496.db2.gz KLELZHIHVPWPBD-RDJZCZTQSA-N 2 2 362.478 0.181 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[NH2+]CCOC)CC2)CC1 ZINC001577767462 1274853102 /nfs/dbraw/zinc/85/31/02/1274853102.db2.gz LKQKGCSGBFHRGS-UHFFFAOYSA-N 3 2 355.527 0.424 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[NH2+]CCOC)CC2)CC1 ZINC001577767462 1274853115 /nfs/dbraw/zinc/85/31/15/1274853115.db2.gz LKQKGCSGBFHRGS-UHFFFAOYSA-N 3 2 355.527 0.424 20 0 FCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577808629 1274913584 /nfs/dbraw/zinc/91/35/84/1274913584.db2.gz DEJPDSGNYMUEMV-CYBMUJFWSA-N 2 2 367.417 0.586 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001577856465 1275013293 /nfs/dbraw/zinc/01/32/93/1275013293.db2.gz YAVSANMLXJIZOL-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001577856465 1275013301 /nfs/dbraw/zinc/01/33/01/1275013301.db2.gz YAVSANMLXJIZOL-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866555 1275048266 /nfs/dbraw/zinc/04/82/66/1275048266.db2.gz IQLKMPMMJBIHKI-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866555 1275048272 /nfs/dbraw/zinc/04/82/72/1275048272.db2.gz IQLKMPMMJBIHKI-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866555 1275048278 /nfs/dbraw/zinc/04/82/78/1275048278.db2.gz IQLKMPMMJBIHKI-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577866555 1275048283 /nfs/dbraw/zinc/04/82/83/1275048283.db2.gz IQLKMPMMJBIHKI-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnn[nH]1 ZINC001577873038 1275064298 /nfs/dbraw/zinc/06/42/98/1275064298.db2.gz TXIKQRVHMUHEIK-GDBMZVCRSA-N 2 2 350.467 0.292 20 0 FCADLP O=C(NCC=CC[NH2+]CCc1c[nH]nn1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578005617 1275267522 /nfs/dbraw/zinc/26/75/22/1275267522.db2.gz BWJPDKCYNWXEBL-UPHRSURJSA-N 2 2 352.402 0.504 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCCn1cc[nH+]c1 ZINC001578136460 1275435269 /nfs/dbraw/zinc/43/52/69/1275435269.db2.gz QOLHZMDDPAIROO-UHFFFAOYSA-N 2 2 369.433 0.621 20 0 FCADLP CCOCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(C)(C)[NH3+] ZINC001578141910 1275440838 /nfs/dbraw/zinc/44/08/38/1275440838.db2.gz GCJNHQHQGWYTCQ-UHFFFAOYSA-N 2 2 374.493 0.977 20 0 FCADLP CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH3+] ZINC001578324354 1275670420 /nfs/dbraw/zinc/67/04/20/1275670420.db2.gz MSQKDRWLAGPUNU-HNNXBMFYSA-N 2 2 363.510 0.322 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578460114 1275865830 /nfs/dbraw/zinc/86/58/30/1275865830.db2.gz ZSJQAVWVXNFWCK-SQWLQELKSA-N 2 2 370.461 0.829 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578460114 1275865838 /nfs/dbraw/zinc/86/58/38/1275865838.db2.gz ZSJQAVWVXNFWCK-SQWLQELKSA-N 2 2 370.461 0.829 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001578561116 1275990907 /nfs/dbraw/zinc/99/09/07/1275990907.db2.gz KQIUYSFBEJZQHY-INIZCTEOSA-N 2 2 355.442 0.504 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001578561116 1275990911 /nfs/dbraw/zinc/99/09/11/1275990911.db2.gz KQIUYSFBEJZQHY-INIZCTEOSA-N 2 2 355.442 0.504 20 0 FCADLP CNS(=O)(=O)c1ccc(C)c(C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001578746983 1276230518 /nfs/dbraw/zinc/23/05/18/1276230518.db2.gz ZVSLENWWQTXSOM-UHFFFAOYSA-N 2 2 354.476 0.056 20 0 FCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001578810844 1276303440 /nfs/dbraw/zinc/30/34/40/1276303440.db2.gz DGRFPYHKQGGLPY-JKSUJKDBSA-N 2 2 351.422 0.964 20 0 FCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001578810844 1276303447 /nfs/dbraw/zinc/30/34/47/1276303447.db2.gz DGRFPYHKQGGLPY-JKSUJKDBSA-N 2 2 351.422 0.964 20 0 FCADLP CN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578846950 1276369414 /nfs/dbraw/zinc/36/94/14/1276369414.db2.gz KDRYQZJXJUKZGP-UHFFFAOYSA-N 2 2 367.457 0.605 20 0 FCADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578878503 1276406365 /nfs/dbraw/zinc/40/63/65/1276406365.db2.gz PGDDFKCFLJJKDQ-CYBMUJFWSA-N 2 2 356.434 0.395 20 0 FCADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578886306 1276417212 /nfs/dbraw/zinc/41/72/12/1276417212.db2.gz NLJBDSYPDUHTJC-UHFFFAOYSA-N 2 2 366.429 0.912 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579101020 1276753183 /nfs/dbraw/zinc/75/31/83/1276753183.db2.gz GDTCGAKPWAEFIE-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579101020 1276753193 /nfs/dbraw/zinc/75/31/93/1276753193.db2.gz GDTCGAKPWAEFIE-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579103169 1276759990 /nfs/dbraw/zinc/75/99/90/1276759990.db2.gz UOBLTIBNKZTAKG-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579103169 1276759999 /nfs/dbraw/zinc/75/99/99/1276759999.db2.gz UOBLTIBNKZTAKG-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579123594 1276800795 /nfs/dbraw/zinc/80/07/95/1276800795.db2.gz MDXBDYLQNSIJAP-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579123594 1276800802 /nfs/dbraw/zinc/80/08/02/1276800802.db2.gz MDXBDYLQNSIJAP-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001579180166 1276944128 /nfs/dbraw/zinc/94/41/28/1276944128.db2.gz AVZOGUPFJSIOJQ-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001579180166 1276944137 /nfs/dbraw/zinc/94/41/37/1276944137.db2.gz AVZOGUPFJSIOJQ-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579184812 1276953719 /nfs/dbraw/zinc/95/37/19/1276953719.db2.gz KDNGYGKDNINSBP-UHFFFAOYSA-N 2 2 358.381 0.451 20 0 FCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579184812 1276953723 /nfs/dbraw/zinc/95/37/23/1276953723.db2.gz KDNGYGKDNINSBP-UHFFFAOYSA-N 2 2 358.381 0.451 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579247101 1277048095 /nfs/dbraw/zinc/04/80/95/1277048095.db2.gz PTZPCBAUJOUGBJ-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579247101 1277048098 /nfs/dbraw/zinc/04/80/98/1277048098.db2.gz PTZPCBAUJOUGBJ-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP COc1cc[nH+]cc1Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N1CCN(C)C(=O)C1 ZINC001579319303 1277135212 /nfs/dbraw/zinc/13/52/12/1277135212.db2.gz LXEYJTRSQCMXBC-XBXGTLAGSA-N 2 2 371.445 0.213 20 0 FCADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323154 1277139726 /nfs/dbraw/zinc/13/97/26/1277139726.db2.gz QRDRGIOQRXGLHK-OAHLLOKOSA-N 2 2 355.446 0.461 20 0 FCADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579323154 1277139730 /nfs/dbraw/zinc/13/97/30/1277139730.db2.gz QRDRGIOQRXGLHK-OAHLLOKOSA-N 2 2 355.446 0.461 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329645 1277159820 /nfs/dbraw/zinc/15/98/20/1277159820.db2.gz SCUDNHGQDFQACB-AGIUHOORSA-N 2 2 373.486 0.665 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329645 1277159823 /nfs/dbraw/zinc/15/98/23/1277159823.db2.gz SCUDNHGQDFQACB-AGIUHOORSA-N 2 2 373.486 0.665 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329645 1277159839 /nfs/dbraw/zinc/15/98/39/1277159839.db2.gz SCUDNHGQDFQACB-AGIUHOORSA-N 2 2 373.486 0.665 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329645 1277159841 /nfs/dbraw/zinc/15/98/41/1277159841.db2.gz SCUDNHGQDFQACB-AGIUHOORSA-N 2 2 373.486 0.665 20 0 FCADLP C[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579332227 1277166432 /nfs/dbraw/zinc/16/64/32/1277166432.db2.gz KGFCJSGHYGXIEC-UHFFFAOYSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355962 1277219652 /nfs/dbraw/zinc/21/96/52/1277219652.db2.gz GRHWTMQBLHUZPE-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355962 1277219656 /nfs/dbraw/zinc/21/96/56/1277219656.db2.gz GRHWTMQBLHUZPE-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355962 1277219660 /nfs/dbraw/zinc/21/96/60/1277219660.db2.gz GRHWTMQBLHUZPE-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355962 1277219665 /nfs/dbraw/zinc/21/96/65/1277219665.db2.gz GRHWTMQBLHUZPE-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359955 1277233423 /nfs/dbraw/zinc/23/34/23/1277233423.db2.gz GCBCNQDRNDYRIG-HUBLWGQQSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359955 1277233424 /nfs/dbraw/zinc/23/34/24/1277233424.db2.gz GCBCNQDRNDYRIG-HUBLWGQQSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359494 1277233618 /nfs/dbraw/zinc/23/36/18/1277233618.db2.gz WGCJETTYNAJJAX-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359494 1277233620 /nfs/dbraw/zinc/23/36/20/1277233620.db2.gz WGCJETTYNAJJAX-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359494 1277233621 /nfs/dbraw/zinc/23/36/21/1277233621.db2.gz WGCJETTYNAJJAX-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359494 1277233622 /nfs/dbraw/zinc/23/36/22/1277233622.db2.gz WGCJETTYNAJJAX-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366616 1277247387 /nfs/dbraw/zinc/24/73/87/1277247387.db2.gz ZJSRIHOGTVIKPX-WFASDCNBSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366616 1277247388 /nfs/dbraw/zinc/24/73/88/1277247388.db2.gz ZJSRIHOGTVIKPX-WFASDCNBSA-N 2 2 356.434 0.181 20 0 FCADLP C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC001579474075 1277380012 /nfs/dbraw/zinc/38/00/12/1277380012.db2.gz ORAKRCNMWJTXJM-PVAVHDDUSA-N 2 2 354.520 0.445 20 0 FCADLP Cc1nnc(N2CC[NH2+][C@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001579910069 1277957541 /nfs/dbraw/zinc/95/75/41/1277957541.db2.gz CVSQICAYVVAHBF-CQSZACIVSA-N 2 2 357.462 0.665 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001580270603 1278063929 /nfs/dbraw/zinc/06/39/29/1278063929.db2.gz UFEURUZBUBTVAP-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580991827 1279196980 /nfs/dbraw/zinc/19/69/80/1279196980.db2.gz WWEAGTRCAPXQJY-SNVBAGLBSA-N 2 2 369.433 0.573 20 0 FCADLP Cc1cc(N[C@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002371 1279216907 /nfs/dbraw/zinc/21/69/07/1279216907.db2.gz PNDFZLFINONTDG-STQMWFEESA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(NC[C@H](C)N(C)C(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012700 1279238857 /nfs/dbraw/zinc/23/88/57/1279238857.db2.gz APKSIPADTKEBLG-ZDUSSCGKSA-N 2 2 369.433 0.538 20 0 FCADLP Cc1cc(NC[C@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031836 1279270329 /nfs/dbraw/zinc/27/03/29/1279270329.db2.gz JIRQXCLKRWOUFF-LBPRGKRZSA-N 2 2 355.406 0.195 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581338580 1279717535 /nfs/dbraw/zinc/71/75/35/1279717535.db2.gz QIRRCUBDDYSXRH-GFCCVEGCSA-N 2 2 354.418 0.666 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581338467 1279717556 /nfs/dbraw/zinc/71/75/56/1279717556.db2.gz LNZQGLBHHGFFRR-IYBDPMFKSA-N 2 2 366.429 0.809 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001581339383 1279719554 /nfs/dbraw/zinc/71/95/54/1279719554.db2.gz FEBSEISGZAPLAA-HNNXBMFYSA-N 2 2 369.433 0.441 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581339342 1279720272 /nfs/dbraw/zinc/72/02/72/1279720272.db2.gz CZMHBRFECUKCHD-CYBMUJFWSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340345 1279722532 /nfs/dbraw/zinc/72/25/32/1279722532.db2.gz PPRSFYSSLJAFAJ-LBPRGKRZSA-N 2 2 369.433 0.586 20 0 FCADLP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)ccn1 ZINC001716099206 1287371396 /nfs/dbraw/zinc/37/13/96/1287371396.db2.gz BAKMRWMCWXTVGK-RBSFLKMASA-N 2 2 359.430 0.194 20 0 FCADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603500962 1287393137 /nfs/dbraw/zinc/39/31/37/1287393137.db2.gz GHZBIMPIEXRGNO-GFCCVEGCSA-N 2 2 369.433 0.309 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562246 1280135474 /nfs/dbraw/zinc/13/54/74/1280135474.db2.gz NVEYMQXYDNTIKR-UHFFFAOYSA-N 2 2 369.433 0.752 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001581563448 1280139173 /nfs/dbraw/zinc/13/91/73/1280139173.db2.gz MSRKHQAIYWAADN-NSHDSACASA-N 2 2 372.408 0.805 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563376 1280139457 /nfs/dbraw/zinc/13/94/57/1280139457.db2.gz LXEPNDPSFTXBPQ-UHFFFAOYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563929 1280141658 /nfs/dbraw/zinc/14/16/58/1280141658.db2.gz MUGKPJRPVVDLOT-ZDUSSCGKSA-N 2 2 367.417 0.292 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001581565339 1280144528 /nfs/dbraw/zinc/14/45/28/1280144528.db2.gz LAWWBWQFRZDTSM-UHFFFAOYSA-N 2 2 360.447 0.681 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001581565339 1280144534 /nfs/dbraw/zinc/14/45/34/1280144534.db2.gz LAWWBWQFRZDTSM-UHFFFAOYSA-N 2 2 360.447 0.681 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581565457 1280144916 /nfs/dbraw/zinc/14/49/16/1280144916.db2.gz RVPXTODKZVHRTB-BETUJISGSA-N 2 2 367.417 0.195 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581815499 1280560788 /nfs/dbraw/zinc/56/07/88/1280560788.db2.gz IOBCKGVXPHSCMH-UHFFFAOYSA-N 2 2 366.429 0.391 20 0 FCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001603662271 1287460698 /nfs/dbraw/zinc/46/06/98/1287460698.db2.gz JFTIALWEVOYSPV-NHYWBVRUSA-N 2 2 361.425 0.996 20 0 FCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001603662271 1287460707 /nfs/dbraw/zinc/46/07/07/1287460707.db2.gz JFTIALWEVOYSPV-NHYWBVRUSA-N 2 2 361.425 0.996 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582088684 1281039147 /nfs/dbraw/zinc/03/91/47/1281039147.db2.gz KXNBRPBPJDNGSD-ZDUSSCGKSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001582097945 1281053747 /nfs/dbraw/zinc/05/37/47/1281053747.db2.gz VEYCYTOBVHHTPQ-IRXDYDNUSA-N 2 2 367.457 0.748 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001582097945 1281053749 /nfs/dbraw/zinc/05/37/49/1281053749.db2.gz VEYCYTOBVHHTPQ-IRXDYDNUSA-N 2 2 367.457 0.748 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582100853 1281058558 /nfs/dbraw/zinc/05/85/58/1281058558.db2.gz RIBQMADZLNBUJF-INIZCTEOSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582100853 1281058565 /nfs/dbraw/zinc/05/85/65/1281058565.db2.gz RIBQMADZLNBUJF-INIZCTEOSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582169266 1281135457 /nfs/dbraw/zinc/13/54/57/1281135457.db2.gz KMNNBCIHBQJZOP-INIZCTEOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582169250 1281135615 /nfs/dbraw/zinc/13/56/15/1281135615.db2.gz JYFQNVWUQLXHLV-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582182603 1281159779 /nfs/dbraw/zinc/15/97/79/1281159779.db2.gz KATYXDDFCBIZLR-ZDUSSCGKSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582183882 1281164082 /nfs/dbraw/zinc/16/40/82/1281164082.db2.gz MWLRLDXDHYWGRI-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582183882 1281164086 /nfs/dbraw/zinc/16/40/86/1281164086.db2.gz MWLRLDXDHYWGRI-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582196410 1281176990 /nfs/dbraw/zinc/17/69/90/1281176990.db2.gz JCIQICMHKLIUHY-UHFFFAOYSA-N 2 2 372.458 0.809 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582196731 1281178879 /nfs/dbraw/zinc/17/88/79/1281178879.db2.gz SEHKRVLWDIKOFQ-UHFFFAOYSA-N 2 2 352.402 0.502 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582196825 1281179126 /nfs/dbraw/zinc/17/91/26/1281179126.db2.gz VVXZLQINVCEDOS-MRXNPFEDSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197070 1281181315 /nfs/dbraw/zinc/18/13/15/1281181315.db2.gz CQOZEFDETKYHLX-HNNXBMFYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197070 1281181316 /nfs/dbraw/zinc/18/13/16/1281181316.db2.gz CQOZEFDETKYHLX-HNNXBMFYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197751 1281181910 /nfs/dbraw/zinc/18/19/10/1281181910.db2.gz XKNPYESNJXYEER-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197751 1281181911 /nfs/dbraw/zinc/18/19/11/1281181911.db2.gz XKNPYESNJXYEER-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582198216 1281184387 /nfs/dbraw/zinc/18/43/87/1281184387.db2.gz QKVLZXSRQATCDJ-OKILXGFUSA-N 2 2 352.402 0.500 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582197973 1281184768 /nfs/dbraw/zinc/18/47/68/1281184768.db2.gz HIJOANDCDLEEBF-OKILXGFUSA-N 2 2 370.392 0.639 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001582313067 1281320102 /nfs/dbraw/zinc/32/01/02/1281320102.db2.gz GPDCBUCCMNOPFH-CAOSSQGBSA-N 2 2 359.474 0.677 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001585181045 1282208732 /nfs/dbraw/zinc/20/87/32/1282208732.db2.gz DDTPFDGLJNZDAX-RBSFLKMASA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001585181045 1282208740 /nfs/dbraw/zinc/20/87/40/1282208740.db2.gz DDTPFDGLJNZDAX-RBSFLKMASA-N 2 2 359.474 0.630 20 0 FCADLP CC(C)(O)C[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589333356 1282840814 /nfs/dbraw/zinc/84/08/14/1282840814.db2.gz UUTIZYQDBVFLHT-KRWDZBQOSA-N 2 2 374.489 0.943 20 0 FCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590199357 1283313785 /nfs/dbraw/zinc/31/37/85/1283313785.db2.gz QRRRKBBJIOGZLV-QWHCGFSZSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307975 1283452450 /nfs/dbraw/zinc/45/24/50/1283452450.db2.gz KJMJOIUZUMNZCU-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307975 1283452455 /nfs/dbraw/zinc/45/24/55/1283452455.db2.gz KJMJOIUZUMNZCU-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001683250095 1283910843 /nfs/dbraw/zinc/91/08/43/1283910843.db2.gz BGDODEFITIPVDI-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001683250095 1283910852 /nfs/dbraw/zinc/91/08/52/1283910852.db2.gz BGDODEFITIPVDI-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001590862167 1283933226 /nfs/dbraw/zinc/93/32/26/1283933226.db2.gz GJSSWVBZOSQHTO-DLBZAZTESA-N 2 2 369.473 0.897 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001590862167 1283933232 /nfs/dbraw/zinc/93/32/32/1283933232.db2.gz GJSSWVBZOSQHTO-DLBZAZTESA-N 2 2 369.473 0.897 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001683305220 1283937422 /nfs/dbraw/zinc/93/74/22/1283937422.db2.gz PWGPUIRAXUSLBD-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001683305220 1283937425 /nfs/dbraw/zinc/93/74/25/1283937425.db2.gz PWGPUIRAXUSLBD-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001684302762 1284152367 /nfs/dbraw/zinc/15/23/67/1284152367.db2.gz WSVLWOKWYQAWIF-JKJDWNRSSA-N 2 2 361.490 0.875 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175722 1284265748 /nfs/dbraw/zinc/26/57/48/1284265748.db2.gz SOWYHHVQTGIYKM-HUUCEWRRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175722 1284265758 /nfs/dbraw/zinc/26/57/58/1284265758.db2.gz SOWYHHVQTGIYKM-HUUCEWRRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175722 1284265764 /nfs/dbraw/zinc/26/57/64/1284265764.db2.gz SOWYHHVQTGIYKM-HUUCEWRRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175722 1284265775 /nfs/dbraw/zinc/26/57/75/1284265775.db2.gz SOWYHHVQTGIYKM-HUUCEWRRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001591187532 1284302549 /nfs/dbraw/zinc/30/25/49/1284302549.db2.gz YBDIIXDLNULLNE-INIZCTEOSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001591187532 1284302554 /nfs/dbraw/zinc/30/25/54/1284302554.db2.gz YBDIIXDLNULLNE-INIZCTEOSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591217064 1284352548 /nfs/dbraw/zinc/35/25/48/1284352548.db2.gz CKSVUZRGAROPGN-UHFFFAOYSA-N 2 2 358.450 0.303 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]cc4-c4nn[nH]n4)C[C@H]32)CCC1 ZINC001604673010 1287723850 /nfs/dbraw/zinc/72/38/50/1287723850.db2.gz DVOUJNMWDFXHJN-NHAGDIPZSA-N 2 2 368.445 0.297 20 0 FCADLP Cc1cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1-c1nn[nH]n1 ZINC001591963015 1285029079 /nfs/dbraw/zinc/02/90/79/1285029079.db2.gz BVNCPLKUYBPZCB-UHFFFAOYSA-N 2 2 369.473 0.915 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001592589827 1285518826 /nfs/dbraw/zinc/51/88/26/1285518826.db2.gz VFPBKXCGOZWTAL-UHFFFAOYSA-N 2 2 372.408 0.578 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592590454 1285521914 /nfs/dbraw/zinc/52/19/14/1285521914.db2.gz GXVHOIIAZSWABI-NSCUHMNNSA-N 2 2 367.417 0.134 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592590472 1285521990 /nfs/dbraw/zinc/52/19/90/1285521990.db2.gz ITHIHQXZNPXSFS-UHFFFAOYSA-N 2 2 354.418 0.439 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592721427 1285624305 /nfs/dbraw/zinc/62/43/05/1285624305.db2.gz SHGPZJULXZINMR-CYBMUJFWSA-N 2 2 361.425 0.683 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592721427 1285624315 /nfs/dbraw/zinc/62/43/15/1285624315.db2.gz SHGPZJULXZINMR-CYBMUJFWSA-N 2 2 361.425 0.683 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592842130 1285749938 /nfs/dbraw/zinc/74/99/38/1285749938.db2.gz YRDQBHYVARPRQD-UHFFFAOYSA-N 2 2 372.408 0.889 20 0 FCADLP CN(C(=O)c1cnccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001609283616 1289047438 /nfs/dbraw/zinc/04/74/38/1289047438.db2.gz HMVUCOGBSXPDQT-AWEZNQCLSA-N 2 2 370.461 0.502 20 0 FCADLP CN(C(=O)c1cnccc1-c1nn[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001609283616 1289047444 /nfs/dbraw/zinc/04/74/44/1289047444.db2.gz HMVUCOGBSXPDQT-AWEZNQCLSA-N 2 2 370.461 0.502 20 0 FCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)CC1 ZINC001609285046 1289049229 /nfs/dbraw/zinc/04/92/29/1289049229.db2.gz ADPVABRCDOQDBN-UHFFFAOYSA-N 2 2 359.434 0.446 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001595599135 1286255908 /nfs/dbraw/zinc/25/59/08/1286255908.db2.gz NZBLRNWLHPAYNO-MRXNPFEDSA-N 2 2 374.485 0.981 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1)CS(C)(=O)=O ZINC001707163411 1286485826 /nfs/dbraw/zinc/48/58/26/1286485826.db2.gz KQPDKIDPDSZIAV-ILXRZTDVSA-N 2 2 370.519 0.850 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001707185251 1286493054 /nfs/dbraw/zinc/49/30/54/1286493054.db2.gz YYCJOLVFNORJME-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001707185251 1286493059 /nfs/dbraw/zinc/49/30/59/1286493059.db2.gz YYCJOLVFNORJME-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001707185251 1286493064 /nfs/dbraw/zinc/49/30/64/1286493064.db2.gz YYCJOLVFNORJME-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001707185251 1286493065 /nfs/dbraw/zinc/49/30/65/1286493065.db2.gz YYCJOLVFNORJME-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604891745 1287808951 /nfs/dbraw/zinc/80/89/51/1287808951.db2.gz GATSILSABJBQJX-CQSZACIVSA-N 2 2 372.477 0.549 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001719231971 1287910858 /nfs/dbraw/zinc/91/08/58/1287910858.db2.gz XGZCTVHFMSHSSB-INMHGKMJSA-N 2 2 365.478 0.189 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001605426236 1287957267 /nfs/dbraw/zinc/95/72/67/1287957267.db2.gz BEWBDGQHCUTUPE-XJKSGUPXSA-N 2 2 370.461 0.444 20 0 FCADLP CN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721090051 1288289594 /nfs/dbraw/zinc/28/95/94/1288289594.db2.gz HFERQZSXXKWPCO-HZPDHXFCSA-N 2 2 361.490 0.974 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001721154592 1288303410 /nfs/dbraw/zinc/30/34/10/1288303410.db2.gz IKXXYDDJIZPNRE-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001721154592 1288303411 /nfs/dbraw/zinc/30/34/11/1288303411.db2.gz IKXXYDDJIZPNRE-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001606620264 1288411794 /nfs/dbraw/zinc/41/17/94/1288411794.db2.gz HUKZEXGVOIPWBC-HDJSIYSDSA-N 2 2 370.392 0.639 20 0 FCADLP CCc1noc(C)c1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001732660193 1288592480 /nfs/dbraw/zinc/59/24/80/1288592480.db2.gz ZODUVXYLBKTACZ-MGPQQGTHSA-N 2 2 361.446 0.649 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@H](O)Cc3ccccc3)C2)CC[N@@H+]1C ZINC001733498499 1288615685 /nfs/dbraw/zinc/61/56/85/1288615685.db2.gz IDJAZHHGDFSSAB-KBAYOESNSA-N 2 2 361.486 0.093 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@H](O)Cc3ccccc3)C2)CC[N@H+]1C ZINC001733498499 1288615691 /nfs/dbraw/zinc/61/56/91/1288615691.db2.gz IDJAZHHGDFSSAB-KBAYOESNSA-N 2 2 361.486 0.093 20 0 FCADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)NC ZINC001609193473 1288979644 /nfs/dbraw/zinc/97/96/44/1288979644.db2.gz IDEJEBOQHSEUHJ-INIZCTEOSA-N 2 2 357.462 0.945 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692042315 1289374979 /nfs/dbraw/zinc/37/49/79/1289374979.db2.gz OPLKXWWISZFWDL-ARFHVFGLSA-N 2 2 365.478 0.376 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001692085797 1289392341 /nfs/dbraw/zinc/39/23/41/1289392341.db2.gz GPGLONQYBNTPMN-YYIAUSFCSA-N 2 2 373.501 0.973 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692156523 1289409283 /nfs/dbraw/zinc/40/92/83/1289409283.db2.gz PHJHUBPVIKIPFM-KBRIMQKVSA-N 2 2 364.465 0.925 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692156523 1289409288 /nfs/dbraw/zinc/40/92/88/1289409288.db2.gz PHJHUBPVIKIPFM-KBRIMQKVSA-N 2 2 364.465 0.925 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001692267487 1289439792 /nfs/dbraw/zinc/43/97/92/1289439792.db2.gz LNBCHZAHRAOMQM-ZACQAIPSSA-N 2 2 362.474 0.235 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001692267487 1289439797 /nfs/dbraw/zinc/43/97/97/1289439797.db2.gz LNBCHZAHRAOMQM-ZACQAIPSSA-N 2 2 362.474 0.235 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001737064467 1289509072 /nfs/dbraw/zinc/50/90/72/1289509072.db2.gz WESOCMBHBUHWCF-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001698845995 1289537893 /nfs/dbraw/zinc/53/78/93/1289537893.db2.gz SUFHFOTYCMCIQB-BPLDGKMQSA-N 2 2 358.446 0.959 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)no1 ZINC001699440423 1289553790 /nfs/dbraw/zinc/55/37/90/1289553790.db2.gz DKLJTTNQOLFEOI-MRVWCRGKSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)no1 ZINC001699440423 1289553802 /nfs/dbraw/zinc/55/38/02/1289553802.db2.gz DKLJTTNQOLFEOI-MRVWCRGKSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001699440423 1289553806 /nfs/dbraw/zinc/55/38/06/1289553806.db2.gz DKLJTTNQOLFEOI-MRVWCRGKSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001699440423 1289553812 /nfs/dbraw/zinc/55/38/12/1289553812.db2.gz DKLJTTNQOLFEOI-MRVWCRGKSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001622481836 1290138368 /nfs/dbraw/zinc/13/83/68/1290138368.db2.gz FDPYULKRCQMGNH-QGZVFWFLSA-N 2 2 352.504 0.651 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001622481836 1290138371 /nfs/dbraw/zinc/13/83/71/1290138371.db2.gz FDPYULKRCQMGNH-QGZVFWFLSA-N 2 2 352.504 0.651 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001739586292 1290201187 /nfs/dbraw/zinc/20/11/87/1290201187.db2.gz RGPHJHYCBILYJU-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001739586292 1290201191 /nfs/dbraw/zinc/20/11/91/1290201191.db2.gz RGPHJHYCBILYJU-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001753127998 1290621900 /nfs/dbraw/zinc/62/19/00/1290621900.db2.gz AZDSCPJMIKYEGZ-JHJVBQTASA-N 2 2 364.412 0.443 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001753127998 1290621912 /nfs/dbraw/zinc/62/19/12/1290621912.db2.gz AZDSCPJMIKYEGZ-JHJVBQTASA-N 2 2 364.412 0.443 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001753127998 1290621920 /nfs/dbraw/zinc/62/19/20/1290621920.db2.gz AZDSCPJMIKYEGZ-JHJVBQTASA-N 2 2 364.412 0.443 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001753127998 1290621925 /nfs/dbraw/zinc/62/19/25/1290621925.db2.gz AZDSCPJMIKYEGZ-JHJVBQTASA-N 2 2 364.412 0.443 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001755300170 1290642158 /nfs/dbraw/zinc/64/21/58/1290642158.db2.gz LERFGEJHAFHOEL-SOUVJXGZSA-N 2 2 362.478 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001755300170 1290642162 /nfs/dbraw/zinc/64/21/62/1290642162.db2.gz LERFGEJHAFHOEL-SOUVJXGZSA-N 2 2 362.478 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc2cnccn2)CC[NH+]1C ZINC001755300170 1290642170 /nfs/dbraw/zinc/64/21/70/1290642170.db2.gz LERFGEJHAFHOEL-SOUVJXGZSA-N 2 2 362.478 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc2cnccn2)CC[NH+]1C ZINC001755300170 1290642176 /nfs/dbraw/zinc/64/21/76/1290642176.db2.gz LERFGEJHAFHOEL-SOUVJXGZSA-N 2 2 362.478 0.582 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC001755302450 1290643242 /nfs/dbraw/zinc/64/32/42/1290643242.db2.gz BONWRCNZACUUJQ-NWANDNLSSA-N 2 2 368.503 0.775 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC001755302450 1290643246 /nfs/dbraw/zinc/64/32/46/1290643246.db2.gz BONWRCNZACUUJQ-NWANDNLSSA-N 2 2 368.503 0.775 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C(N)=O)cn3)CC2)CC1 ZINC001630234074 1290653344 /nfs/dbraw/zinc/65/33/44/1290653344.db2.gz IMPKECVSRQPXLC-UHFFFAOYSA-N 2 2 359.474 0.813 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C(N)=O)cn3)CC2)CC1 ZINC001630234074 1290653352 /nfs/dbraw/zinc/65/33/52/1290653352.db2.gz IMPKECVSRQPXLC-UHFFFAOYSA-N 2 2 359.474 0.813 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001654630410 1291422202 /nfs/dbraw/zinc/42/22/02/1291422202.db2.gz ADYICUBSYCIQDX-MRXNPFEDSA-N 2 2 362.474 0.752 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001656062535 1291495525 /nfs/dbraw/zinc/49/55/25/1291495525.db2.gz UXAYPWVDXOAHDM-UHFFFAOYSA-N 2 2 371.489 0.191 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC001657527105 1291613669 /nfs/dbraw/zinc/61/36/69/1291613669.db2.gz SINIBOJTEMEGKE-UHFFFAOYSA-N 2 2 350.467 0.088 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001688224943 1293055618 /nfs/dbraw/zinc/05/56/18/1293055618.db2.gz INRWYFOLDLDWRO-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001689004964 1294564874 /nfs/dbraw/zinc/56/48/74/1294564874.db2.gz JFBMJBJMHCMJJC-SOUVJXGZSA-N 2 2 368.503 0.652 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)[C@@H]1C ZINC001689336629 1294760494 /nfs/dbraw/zinc/76/04/94/1294760494.db2.gz VVIDFRLHRSUEKY-KBMXLJTQSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)[C@@H]1C ZINC001689336629 1294760505 /nfs/dbraw/zinc/76/05/05/1294760505.db2.gz VVIDFRLHRSUEKY-KBMXLJTQSA-N 2 2 363.462 0.066 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001689350313 1294767605 /nfs/dbraw/zinc/76/76/05/1294767605.db2.gz ZTQZSDCAKMOUAN-OVKMHZHDSA-N 2 2 359.474 0.574 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001689350313 1294767614 /nfs/dbraw/zinc/76/76/14/1294767614.db2.gz ZTQZSDCAKMOUAN-OVKMHZHDSA-N 2 2 359.474 0.574 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)on1 ZINC001690846628 1294886356 /nfs/dbraw/zinc/88/63/56/1294886356.db2.gz MKBZZJKWDIMRMU-RAIGVLPGSA-N 2 2 360.418 0.933 20 0 FCADLP Cc1noc([C@]23COC[C@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)n1 ZINC001164800539 720058024 /nfs/dbraw/zinc/05/80/24/720058024.db2.gz FACTXGFULPZBDI-DNVCBOLYSA-N 2 2 370.457 0.929 20 0 FCADLP Cc1noc([C@@]23COC[C@@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)n1 ZINC001164800822 720058169 /nfs/dbraw/zinc/05/81/69/720058169.db2.gz FACTXGFULPZBDI-KXBFYZLASA-N 2 2 370.457 0.929 20 0 FCADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC001164728832 720519184 /nfs/dbraw/zinc/51/91/84/720519184.db2.gz LXAIVHZDGRTYKS-OAHLLOKOSA-N 2 2 357.462 0.708 20 0 FCADLP COCCN1C[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C1=O ZINC001164904010 721574440 /nfs/dbraw/zinc/57/44/40/721574440.db2.gz SWVUBRORQBWKIJ-HOTGVXAUSA-N 2 2 359.474 0.374 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cscn2)C3)O1 ZINC001072849853 837745624 /nfs/dbraw/zinc/74/56/24/837745624.db2.gz NEXGVERAIBWSDZ-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cscn2)C3)O1 ZINC001072849853 837745632 /nfs/dbraw/zinc/74/56/32/837745632.db2.gz NEXGVERAIBWSDZ-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2cscn2)C3)O1 ZINC001072849853 837745639 /nfs/dbraw/zinc/74/56/39/837745639.db2.gz NEXGVERAIBWSDZ-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2cscn2)C3)O1 ZINC001072849853 837745645 /nfs/dbraw/zinc/74/56/45/837745645.db2.gz NEXGVERAIBWSDZ-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3cncs3)CCCO2)O1 ZINC001073660783 837784378 /nfs/dbraw/zinc/78/43/78/837784378.db2.gz OIBAUKLBLVFSAW-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3cncs3)CCCO2)O1 ZINC001073660783 837784384 /nfs/dbraw/zinc/78/43/84/837784384.db2.gz OIBAUKLBLVFSAW-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](Cc3cncs3)CCCO2)O1 ZINC001073660783 837784391 /nfs/dbraw/zinc/78/43/91/837784391.db2.gz OIBAUKLBLVFSAW-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3cncs3)CCCO2)O1 ZINC001073660783 837784400 /nfs/dbraw/zinc/78/44/00/837784400.db2.gz OIBAUKLBLVFSAW-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C(F)(F)F)cn1 ZINC001099314402 844018186 /nfs/dbraw/zinc/01/81/86/844018186.db2.gz MSEWPRRUQOQBDV-CHWSQXEVSA-N 2 2 356.352 0.865 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099332704 844028901 /nfs/dbraw/zinc/02/89/01/844028901.db2.gz ITLJHXGPIJRTGP-GRYCIOLGSA-N 2 2 361.368 0.205 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099332487 844029216 /nfs/dbraw/zinc/02/92/16/844029216.db2.gz CLOPRDAJHNFQNC-GHMZBOCLSA-N 2 2 359.352 0.225 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c(N(C)C)[nH+]1 ZINC000750253423 836414141 /nfs/dbraw/zinc/41/41/41/836414141.db2.gz BRPWBRQDQOZADS-KRWDZBQOSA-N 2 2 365.503 0.948 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@@H]3CCCO3)C2)CC1 ZINC000884164013 836553959 /nfs/dbraw/zinc/55/39/59/836553959.db2.gz VNKAXBVVVWQYRX-ZOBUZTSGSA-N 2 2 354.495 0.384 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@@H]3CCCO3)C2)CC1 ZINC000884164013 836553966 /nfs/dbraw/zinc/55/39/66/836553966.db2.gz VNKAXBVVVWQYRX-ZOBUZTSGSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H](c1csnn1)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432140 844184745 /nfs/dbraw/zinc/18/47/45/844184745.db2.gz CYCCQEWPBHGXNK-VBQJREDUSA-N 2 2 367.519 0.958 20 0 FCADLP C[C@@H](c1csnn1)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432140 844184751 /nfs/dbraw/zinc/18/47/51/844184751.db2.gz CYCCQEWPBHGXNK-VBQJREDUSA-N 2 2 367.519 0.958 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881140 837922941 /nfs/dbraw/zinc/92/29/41/837922941.db2.gz FNMQVVPKWBGNTM-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881140 837922950 /nfs/dbraw/zinc/92/29/50/837922950.db2.gz FNMQVVPKWBGNTM-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881140 837922960 /nfs/dbraw/zinc/92/29/60/837922960.db2.gz FNMQVVPKWBGNTM-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075881140 837922967 /nfs/dbraw/zinc/92/29/67/837922967.db2.gz FNMQVVPKWBGNTM-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805740 838113095 /nfs/dbraw/zinc/11/30/95/838113095.db2.gz SQYVAUQJKSRULY-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805740 838113101 /nfs/dbraw/zinc/11/31/01/838113101.db2.gz SQYVAUQJKSRULY-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805740 838113109 /nfs/dbraw/zinc/11/31/09/838113109.db2.gz SQYVAUQJKSRULY-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805740 838113117 /nfs/dbraw/zinc/11/31/17/838113117.db2.gz SQYVAUQJKSRULY-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836815 838127386 /nfs/dbraw/zinc/12/73/86/838127386.db2.gz AJSRPNWUCRAGFW-OAGGEKHMSA-N 2 2 353.488 0.173 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836815 838127391 /nfs/dbraw/zinc/12/73/91/838127391.db2.gz AJSRPNWUCRAGFW-OAGGEKHMSA-N 2 2 353.488 0.173 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836815 838127395 /nfs/dbraw/zinc/12/73/95/838127395.db2.gz AJSRPNWUCRAGFW-OAGGEKHMSA-N 2 2 353.488 0.173 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836815 838127402 /nfs/dbraw/zinc/12/74/02/838127402.db2.gz AJSRPNWUCRAGFW-OAGGEKHMSA-N 2 2 353.488 0.173 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077002817 838207152 /nfs/dbraw/zinc/20/71/52/838207152.db2.gz IKBPSYOUJKFFSZ-BZUAXINKSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077002817 838207165 /nfs/dbraw/zinc/20/71/65/838207165.db2.gz IKBPSYOUJKFFSZ-BZUAXINKSA-N 2 2 350.488 0.455 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219278 838822487 /nfs/dbraw/zinc/82/24/87/838822487.db2.gz OCZRJSFNYCYMKR-HUUCEWRRSA-N 2 2 350.488 0.680 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219278 838822494 /nfs/dbraw/zinc/82/24/94/838822494.db2.gz OCZRJSFNYCYMKR-HUUCEWRRSA-N 2 2 350.488 0.680 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077259560 838855751 /nfs/dbraw/zinc/85/57/51/838855751.db2.gz VGWZQXUXPHUQDL-MGPQQGTHSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077259560 838855740 /nfs/dbraw/zinc/85/57/40/838855740.db2.gz VGWZQXUXPHUQDL-MGPQQGTHSA-N 2 2 354.401 0.652 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102016022 844374650 /nfs/dbraw/zinc/37/46/50/844374650.db2.gz YRAQYMLQBNVVKB-MGPQQGTHSA-N 2 2 355.462 0.074 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102016022 844374659 /nfs/dbraw/zinc/37/46/59/844374659.db2.gz YRAQYMLQBNVVKB-MGPQQGTHSA-N 2 2 355.462 0.074 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001077514701 839009582 /nfs/dbraw/zinc/00/95/82/839009582.db2.gz WSSMPXUBMNYLCX-QBPKDAKJSA-N 2 2 367.877 0.629 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001077514701 839009589 /nfs/dbraw/zinc/00/95/89/839009589.db2.gz WSSMPXUBMNYLCX-QBPKDAKJSA-N 2 2 367.877 0.629 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001077514701 839009601 /nfs/dbraw/zinc/00/96/01/839009601.db2.gz WSSMPXUBMNYLCX-QBPKDAKJSA-N 2 2 367.877 0.629 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001077514701 839009613 /nfs/dbraw/zinc/00/96/13/839009613.db2.gz WSSMPXUBMNYLCX-QBPKDAKJSA-N 2 2 367.877 0.629 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001077572678 839049061 /nfs/dbraw/zinc/04/90/61/839049061.db2.gz HVSYTXXIQFAKBP-WMHQRMGPSA-N 2 2 369.897 0.428 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)CC[N@H+]1C ZINC001077572678 839049075 /nfs/dbraw/zinc/04/90/75/839049075.db2.gz HVSYTXXIQFAKBP-WMHQRMGPSA-N 2 2 369.897 0.428 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC[NH+]1C ZINC001077572678 839049081 /nfs/dbraw/zinc/04/90/81/839049081.db2.gz HVSYTXXIQFAKBP-WMHQRMGPSA-N 2 2 369.897 0.428 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC[NH+]1C ZINC001077572678 839049090 /nfs/dbraw/zinc/04/90/90/839049090.db2.gz HVSYTXXIQFAKBP-WMHQRMGPSA-N 2 2 369.897 0.428 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)c[nH+]1 ZINC001102079962 844407007 /nfs/dbraw/zinc/40/70/07/844407007.db2.gz LYTFKPQELXZZJO-GDBMZVCRSA-N 2 2 352.479 0.620 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)c[nH+]1 ZINC001102079962 844407009 /nfs/dbraw/zinc/40/70/09/844407009.db2.gz LYTFKPQELXZZJO-GDBMZVCRSA-N 2 2 352.479 0.620 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001078174436 839380278 /nfs/dbraw/zinc/38/02/78/839380278.db2.gz LGQXBVVVZIZGPH-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001078174436 839380290 /nfs/dbraw/zinc/38/02/90/839380290.db2.gz LGQXBVVVZIZGPH-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001078174436 839380299 /nfs/dbraw/zinc/38/02/99/839380299.db2.gz LGQXBVVVZIZGPH-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001078174436 839380308 /nfs/dbraw/zinc/38/03/08/839380308.db2.gz LGQXBVVVZIZGPH-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175865 839381086 /nfs/dbraw/zinc/38/10/86/839381086.db2.gz PTCZQEQVNAYUIL-FVQBIDKESA-N 2 2 367.877 0.832 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175865 839381099 /nfs/dbraw/zinc/38/10/99/839381099.db2.gz PTCZQEQVNAYUIL-FVQBIDKESA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175865 839381113 /nfs/dbraw/zinc/38/11/13/839381113.db2.gz PTCZQEQVNAYUIL-FVQBIDKESA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175865 839381127 /nfs/dbraw/zinc/38/11/27/839381127.db2.gz PTCZQEQVNAYUIL-FVQBIDKESA-N 2 2 367.877 0.832 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228660 839418037 /nfs/dbraw/zinc/41/80/37/839418037.db2.gz ZGUGHXJZGRHIFQ-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228660 839418044 /nfs/dbraw/zinc/41/80/44/839418044.db2.gz ZGUGHXJZGRHIFQ-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228660 839418052 /nfs/dbraw/zinc/41/80/52/839418052.db2.gz ZGUGHXJZGRHIFQ-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228660 839418059 /nfs/dbraw/zinc/41/80/59/839418059.db2.gz ZGUGHXJZGRHIFQ-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001078403745 839456587 /nfs/dbraw/zinc/45/65/87/839456587.db2.gz HPDXEIFBHOQYAO-OWCLPIDISA-N 2 2 367.519 0.976 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001078403745 839456598 /nfs/dbraw/zinc/45/65/98/839456598.db2.gz HPDXEIFBHOQYAO-OWCLPIDISA-N 2 2 367.519 0.976 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845360 839606995 /nfs/dbraw/zinc/60/69/95/839606995.db2.gz WABWWVRTACOZEN-BZUAXINKSA-N 2 2 359.536 0.445 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845360 839606998 /nfs/dbraw/zinc/60/69/98/839606998.db2.gz WABWWVRTACOZEN-BZUAXINKSA-N 2 2 359.536 0.445 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845360 839607001 /nfs/dbraw/zinc/60/70/01/839607001.db2.gz WABWWVRTACOZEN-BZUAXINKSA-N 2 2 359.536 0.445 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001079845360 839607004 /nfs/dbraw/zinc/60/70/04/839607004.db2.gz WABWWVRTACOZEN-BZUAXINKSA-N 2 2 359.536 0.445 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080139813 839672565 /nfs/dbraw/zinc/67/25/65/839672565.db2.gz YNSVGIUMOFQCQM-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080139813 839672570 /nfs/dbraw/zinc/67/25/70/839672570.db2.gz YNSVGIUMOFQCQM-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406186 844487109 /nfs/dbraw/zinc/48/71/09/844487109.db2.gz GKSSJRIOQMUIIC-UKRRQHHQSA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406186 844487115 /nfs/dbraw/zinc/48/71/15/844487115.db2.gz GKSSJRIOQMUIIC-UKRRQHHQSA-N 2 2 368.503 0.461 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407723 844488864 /nfs/dbraw/zinc/48/88/64/844488864.db2.gz JMMXIMTULLXBLR-ZIAGYGMSSA-N 2 2 350.467 0.344 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407723 844488868 /nfs/dbraw/zinc/48/88/68/844488868.db2.gz JMMXIMTULLXBLR-ZIAGYGMSSA-N 2 2 350.467 0.344 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408094 844489005 /nfs/dbraw/zinc/48/90/05/844489005.db2.gz ZAUVOIGEQFKTAJ-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408094 844489013 /nfs/dbraw/zinc/48/90/13/844489013.db2.gz ZAUVOIGEQFKTAJ-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414569 844490138 /nfs/dbraw/zinc/49/01/38/844490138.db2.gz JMMPFTYOPRHFOS-BZUAXINKSA-N 2 2 370.519 0.953 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414569 844490144 /nfs/dbraw/zinc/49/01/44/844490144.db2.gz JMMPFTYOPRHFOS-BZUAXINKSA-N 2 2 370.519 0.953 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848121 840063202 /nfs/dbraw/zinc/06/32/02/840063202.db2.gz NKKZVMWIAVCALJ-FDYHWXHSSA-N 2 2 353.385 0.473 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848121 840063206 /nfs/dbraw/zinc/06/32/06/840063206.db2.gz NKKZVMWIAVCALJ-FDYHWXHSSA-N 2 2 353.385 0.473 20 0 FCADLP CO[C@@H]1C[NH+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848121 840063214 /nfs/dbraw/zinc/06/32/14/840063214.db2.gz NKKZVMWIAVCALJ-FDYHWXHSSA-N 2 2 353.385 0.473 20 0 FCADLP CO[C@@H]1C[NH+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848121 840063222 /nfs/dbraw/zinc/06/32/22/840063222.db2.gz NKKZVMWIAVCALJ-FDYHWXHSSA-N 2 2 353.385 0.473 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102473800 844516300 /nfs/dbraw/zinc/51/63/00/844516300.db2.gz QOUJZFXMEXXYFX-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102473800 844516304 /nfs/dbraw/zinc/51/63/04/844516304.db2.gz QOUJZFXMEXXYFX-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327369 840312097 /nfs/dbraw/zinc/31/20/97/840312097.db2.gz PZOPODZBWYACOW-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327369 840312113 /nfs/dbraw/zinc/31/21/13/840312113.db2.gz PZOPODZBWYACOW-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102495974 844529886 /nfs/dbraw/zinc/52/98/86/844529886.db2.gz WOWKTYMKOICNNF-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102495974 844529890 /nfs/dbraw/zinc/52/98/90/844529890.db2.gz WOWKTYMKOICNNF-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102495974 844529893 /nfs/dbraw/zinc/52/98/93/844529893.db2.gz WOWKTYMKOICNNF-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102495974 844529898 /nfs/dbraw/zinc/52/98/98/844529898.db2.gz WOWKTYMKOICNNF-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H](OC)C2)o1 ZINC001082368838 840356000 /nfs/dbraw/zinc/35/60/00/840356000.db2.gz OVOAOIRSFXJQPC-SQWLQELKSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H](OC)C2)o1 ZINC001082368838 840356009 /nfs/dbraw/zinc/35/60/09/840356009.db2.gz OVOAOIRSFXJQPC-SQWLQELKSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)o1 ZINC001082368838 840356016 /nfs/dbraw/zinc/35/60/16/840356016.db2.gz OVOAOIRSFXJQPC-SQWLQELKSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)o1 ZINC001082368838 840356023 /nfs/dbraw/zinc/35/60/23/840356023.db2.gz OVOAOIRSFXJQPC-SQWLQELKSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082596121 840482071 /nfs/dbraw/zinc/48/20/71/840482071.db2.gz WHNCSKKTEPFKHS-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082596121 840482075 /nfs/dbraw/zinc/48/20/75/840482075.db2.gz WHNCSKKTEPFKHS-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001082703413 840529837 /nfs/dbraw/zinc/52/98/37/840529837.db2.gz RYANQBAYDKSBQV-BPLDGKMQSA-N 2 2 350.467 0.159 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)[nH]1 ZINC001082703413 840529843 /nfs/dbraw/zinc/52/98/43/840529843.db2.gz RYANQBAYDKSBQV-BPLDGKMQSA-N 2 2 350.467 0.159 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702789 840530016 /nfs/dbraw/zinc/53/00/16/840530016.db2.gz INQFGLGNMXYLJA-DAXOMENPSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702789 840530021 /nfs/dbraw/zinc/53/00/21/840530021.db2.gz INQFGLGNMXYLJA-DAXOMENPSA-N 2 2 351.451 0.424 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082719479 840535665 /nfs/dbraw/zinc/53/56/65/840535665.db2.gz MBPZZZWBLSPHGK-TZMCWYRMSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082766565 840548311 /nfs/dbraw/zinc/54/83/11/840548311.db2.gz GYRUDRUTAKBWEW-UMVBOHGHSA-N 2 2 354.476 0.214 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001082861782 840586852 /nfs/dbraw/zinc/58/68/52/840586852.db2.gz OJLJKDGDUXEEAR-HZSPNIEDSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001082861782 840586858 /nfs/dbraw/zinc/58/68/58/840586858.db2.gz OJLJKDGDUXEEAR-HZSPNIEDSA-N 2 2 351.451 0.494 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923437 840603251 /nfs/dbraw/zinc/60/32/51/840603251.db2.gz KBMOBVDSNDLNHA-UMVBOHGHSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082923332 840603269 /nfs/dbraw/zinc/60/32/69/840603269.db2.gz DYUWSNZIMWZESR-VNHYZAJKSA-N 2 2 353.492 0.443 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923681 840605195 /nfs/dbraw/zinc/60/51/95/840605195.db2.gz WXQRXSSUYIHFJY-VNHYZAJKSA-N 2 2 351.451 0.283 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]21 ZINC001083214250 840802246 /nfs/dbraw/zinc/80/22/46/840802246.db2.gz QGXXVKRKSJNUKN-HRCADAONSA-N 2 2 350.463 0.689 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]21 ZINC001083214250 840802252 /nfs/dbraw/zinc/80/22/52/840802252.db2.gz QGXXVKRKSJNUKN-HRCADAONSA-N 2 2 350.463 0.689 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1)OC ZINC001083262143 840844031 /nfs/dbraw/zinc/84/40/31/840844031.db2.gz FCOHIHNSPWTURK-YESZJQIVSA-N 2 2 350.463 0.689 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1)OC ZINC001083262143 840844043 /nfs/dbraw/zinc/84/40/43/840844043.db2.gz FCOHIHNSPWTURK-YESZJQIVSA-N 2 2 350.463 0.689 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274414 840854773 /nfs/dbraw/zinc/85/47/73/840854773.db2.gz KOFVXVWQRDVULX-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274414 840854783 /nfs/dbraw/zinc/85/47/83/840854783.db2.gz KOFVXVWQRDVULX-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274414 840854795 /nfs/dbraw/zinc/85/47/95/840854795.db2.gz KOFVXVWQRDVULX-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274414 840854810 /nfs/dbraw/zinc/85/48/10/840854810.db2.gz KOFVXVWQRDVULX-SOUVJXGZSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)s1 ZINC001083273607 840855056 /nfs/dbraw/zinc/85/50/56/840855056.db2.gz AXPATTPIRBYDCB-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)s1 ZINC001083273607 840855069 /nfs/dbraw/zinc/85/50/69/840855069.db2.gz AXPATTPIRBYDCB-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)s1 ZINC001083273607 840855080 /nfs/dbraw/zinc/85/50/80/840855080.db2.gz AXPATTPIRBYDCB-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)s1 ZINC001083273607 840855091 /nfs/dbraw/zinc/85/50/91/840855091.db2.gz AXPATTPIRBYDCB-CWRNSKLLSA-N 2 2 350.488 0.815 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474574 841051109 /nfs/dbraw/zinc/05/11/09/841051109.db2.gz ORXAAOVSJOYAKV-SVGFKBNWSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474574 841051122 /nfs/dbraw/zinc/05/11/22/841051122.db2.gz ORXAAOVSJOYAKV-SVGFKBNWSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474574 841051134 /nfs/dbraw/zinc/05/11/34/841051134.db2.gz ORXAAOVSJOYAKV-SVGFKBNWSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474574 841051146 /nfs/dbraw/zinc/05/11/46/841051146.db2.gz ORXAAOVSJOYAKV-SVGFKBNWSA-N 2 2 350.463 0.629 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506138 841092266 /nfs/dbraw/zinc/09/22/66/841092266.db2.gz RPGNMYBEZMAWAY-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506138 841092288 /nfs/dbraw/zinc/09/22/88/841092288.db2.gz RPGNMYBEZMAWAY-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506138 841092294 /nfs/dbraw/zinc/09/22/94/841092294.db2.gz RPGNMYBEZMAWAY-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083506138 841092299 /nfs/dbraw/zinc/09/22/99/841092299.db2.gz RPGNMYBEZMAWAY-PMPSAXMXSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001275799097 861194156 /nfs/dbraw/zinc/19/41/56/861194156.db2.gz ILVSMONHEMFLFN-ILXRZTDVSA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@H](O)C1)C2 ZINC001275799097 861194158 /nfs/dbraw/zinc/19/41/58/861194158.db2.gz ILVSMONHEMFLFN-ILXRZTDVSA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001275799097 861194159 /nfs/dbraw/zinc/19/41/59/861194159.db2.gz ILVSMONHEMFLFN-ILXRZTDVSA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001275799097 861194161 /nfs/dbraw/zinc/19/41/61/861194161.db2.gz ILVSMONHEMFLFN-ILXRZTDVSA-N 2 2 350.488 0.551 20 0 FCADLP CSc1ncc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(N)n1 ZINC001275795648 861194647 /nfs/dbraw/zinc/19/46/47/861194647.db2.gz HFZOPYWPPCQIBB-ZIAGYGMSSA-N 2 2 364.519 0.908 20 0 FCADLP CSc1ncc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(N)n1 ZINC001275795648 861194663 /nfs/dbraw/zinc/19/46/63/861194663.db2.gz HFZOPYWPPCQIBB-ZIAGYGMSSA-N 2 2 364.519 0.908 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)CC2 ZINC001083731915 841374293 /nfs/dbraw/zinc/37/42/93/841374293.db2.gz UAJLGMIANNSOSR-YUTCNCBUSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)CC2 ZINC001083731915 841374303 /nfs/dbraw/zinc/37/43/03/841374303.db2.gz UAJLGMIANNSOSR-YUTCNCBUSA-N 2 2 360.380 0.868 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001083733208 841376821 /nfs/dbraw/zinc/37/68/21/841376821.db2.gz DNJVZNMKGWIAIO-CABCVRRESA-N 2 2 364.471 0.815 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001083733208 841376835 /nfs/dbraw/zinc/37/68/35/841376835.db2.gz DNJVZNMKGWIAIO-CABCVRRESA-N 2 2 364.471 0.815 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750422 841393013 /nfs/dbraw/zinc/39/30/13/841393013.db2.gz WGUIIYZWOOVBBP-CVEARBPZSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750422 841393024 /nfs/dbraw/zinc/39/30/24/841393024.db2.gz WGUIIYZWOOVBBP-CVEARBPZSA-N 2 2 350.463 0.549 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778842 841424396 /nfs/dbraw/zinc/42/43/96/841424396.db2.gz ZOOIKKFJFYYZHI-LYRGGWFBSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778842 841424407 /nfs/dbraw/zinc/42/44/07/841424407.db2.gz ZOOIKKFJFYYZHI-LYRGGWFBSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778842 841424413 /nfs/dbraw/zinc/42/44/13/841424413.db2.gz ZOOIKKFJFYYZHI-LYRGGWFBSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778842 841424422 /nfs/dbraw/zinc/42/44/22/841424422.db2.gz ZOOIKKFJFYYZHI-LYRGGWFBSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083780942 841426703 /nfs/dbraw/zinc/42/67/03/841426703.db2.gz PQEPPRISCKXPTF-DFBGVHRSSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083780942 841426709 /nfs/dbraw/zinc/42/67/09/841426709.db2.gz PQEPPRISCKXPTF-DFBGVHRSSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083780942 841426715 /nfs/dbraw/zinc/42/67/15/841426715.db2.gz PQEPPRISCKXPTF-DFBGVHRSSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083780942 841426722 /nfs/dbraw/zinc/42/67/22/841426722.db2.gz PQEPPRISCKXPTF-DFBGVHRSSA-N 2 2 352.504 0.763 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001083954436 841601671 /nfs/dbraw/zinc/60/16/71/841601671.db2.gz ZMMAJHFKGFIQAR-IKGGRYGDSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001083954436 841601673 /nfs/dbraw/zinc/60/16/73/841601673.db2.gz ZMMAJHFKGFIQAR-IKGGRYGDSA-N 2 2 350.463 0.329 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084057352 841670711 /nfs/dbraw/zinc/67/07/11/841670711.db2.gz HBVAQBPPHAQRNV-XQQFMLRXSA-N 2 2 350.290 0.827 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084057352 841670714 /nfs/dbraw/zinc/67/07/14/841670714.db2.gz HBVAQBPPHAQRNV-XQQFMLRXSA-N 2 2 350.290 0.827 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001084058253 841672244 /nfs/dbraw/zinc/67/22/44/841672244.db2.gz RKBZHYUUYSGHKV-IKGGRYGDSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001084058253 841672250 /nfs/dbraw/zinc/67/22/50/841672250.db2.gz RKBZHYUUYSGHKV-IKGGRYGDSA-N 2 2 351.422 0.116 20 0 FCADLP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085159424 842030276 /nfs/dbraw/zinc/03/02/76/842030276.db2.gz TVSBDSGSVPPYAL-MCIONIFRSA-N 2 2 353.492 0.694 20 0 FCADLP Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085159424 842030290 /nfs/dbraw/zinc/03/02/90/842030290.db2.gz TVSBDSGSVPPYAL-MCIONIFRSA-N 2 2 353.492 0.694 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085394507 842093220 /nfs/dbraw/zinc/09/32/20/842093220.db2.gz OHQCAACHWNWUET-FVQBIDKESA-N 2 2 368.503 0.414 20 0 FCADLP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)n1 ZINC001085423263 842099741 /nfs/dbraw/zinc/09/97/41/842099741.db2.gz GMWDKXRVBTYCCU-ZIAGYGMSSA-N 2 2 350.467 0.748 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2csnn2)C1 ZINC001085429327 842103176 /nfs/dbraw/zinc/10/31/76/842103176.db2.gz OBWRIJBKNICXJI-KFWWJZLASA-N 2 2 353.492 0.776 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2csnn2)C1 ZINC001085429327 842103179 /nfs/dbraw/zinc/10/31/79/842103179.db2.gz OBWRIJBKNICXJI-KFWWJZLASA-N 2 2 353.492 0.776 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001085603486 842108615 /nfs/dbraw/zinc/10/86/15/842108615.db2.gz FYUHKIVMMGZQBI-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001085603486 842108621 /nfs/dbraw/zinc/10/86/21/842108621.db2.gz FYUHKIVMMGZQBI-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001085603486 842108625 /nfs/dbraw/zinc/10/86/25/842108625.db2.gz FYUHKIVMMGZQBI-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N(C)C2CC2)CC[NH+]1C ZINC001085603486 842108628 /nfs/dbraw/zinc/10/86/28/842108628.db2.gz FYUHKIVMMGZQBI-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086664776 842145958 /nfs/dbraw/zinc/14/59/58/842145958.db2.gz DBNQCWQNAZBIFK-LZWOXQAQSA-N 2 2 350.463 0.942 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086664776 842145968 /nfs/dbraw/zinc/14/59/68/842145968.db2.gz DBNQCWQNAZBIFK-LZWOXQAQSA-N 2 2 350.463 0.942 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665294 842146436 /nfs/dbraw/zinc/14/64/36/842146436.db2.gz ABJQHJSWPPWERR-BFHYXJOUSA-N 2 2 351.451 0.337 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665294 842146440 /nfs/dbraw/zinc/14/64/40/842146440.db2.gz ABJQHJSWPPWERR-BFHYXJOUSA-N 2 2 351.451 0.337 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086732123 842161727 /nfs/dbraw/zinc/16/17/27/842161727.db2.gz WFDYYRJKJQUYLF-FAAHXZRKSA-N 2 2 351.451 0.472 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086732123 842161737 /nfs/dbraw/zinc/16/17/37/842161737.db2.gz WFDYYRJKJQUYLF-FAAHXZRKSA-N 2 2 351.451 0.472 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)s1 ZINC001275980448 861279724 /nfs/dbraw/zinc/27/97/24/861279724.db2.gz QPEXYMSGCPEGQS-INIZCTEOSA-N 2 2 354.476 0.517 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)s1 ZINC001275980448 861279736 /nfs/dbraw/zinc/27/97/36/861279736.db2.gz QPEXYMSGCPEGQS-INIZCTEOSA-N 2 2 354.476 0.517 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087048890 842244538 /nfs/dbraw/zinc/24/45/38/842244538.db2.gz FNJPLJIEOVFHKP-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087088426 842281049 /nfs/dbraw/zinc/28/10/49/842281049.db2.gz YAZFYUKFAAPIRG-DGCLKSJQSA-N 2 2 350.448 0.457 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001087094176 842284190 /nfs/dbraw/zinc/28/41/90/842284190.db2.gz UZIWGCQTQKLJAS-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]Cc2cnns2)C1 ZINC001087141417 842299438 /nfs/dbraw/zinc/29/94/38/842299438.db2.gz LMZKDHKHGUAUGV-IPYPFGDCSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]Cc2cnns2)C1 ZINC001087141417 842299442 /nfs/dbraw/zinc/29/94/42/842299442.db2.gz LMZKDHKHGUAUGV-IPYPFGDCSA-N 2 2 353.492 0.585 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnon2)C1 ZINC001087247967 842325340 /nfs/dbraw/zinc/32/53/40/842325340.db2.gz IZYRSBPQUDOMRM-VNQPRFMTSA-N 2 2 351.451 0.507 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnon2)C1 ZINC001087247967 842325354 /nfs/dbraw/zinc/32/53/54/842325354.db2.gz IZYRSBPQUDOMRM-VNQPRFMTSA-N 2 2 351.451 0.507 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087798079 842434101 /nfs/dbraw/zinc/43/41/01/842434101.db2.gz ZYOQKMQSKAKKGS-CWRNSKLLSA-N 2 2 368.503 0.366 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087798079 842434104 /nfs/dbraw/zinc/43/41/04/842434104.db2.gz ZYOQKMQSKAKKGS-CWRNSKLLSA-N 2 2 368.503 0.366 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001087829833 842442709 /nfs/dbraw/zinc/44/27/09/842442709.db2.gz YPZWIIOFASAIEL-YESZJQIVSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001087829833 842442710 /nfs/dbraw/zinc/44/27/10/842442710.db2.gz YPZWIIOFASAIEL-YESZJQIVSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001087829832 842442895 /nfs/dbraw/zinc/44/28/95/842442895.db2.gz YPZWIIOFASAIEL-IXDOHACOSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001087829832 842442900 /nfs/dbraw/zinc/44/29/00/842442900.db2.gz YPZWIIOFASAIEL-IXDOHACOSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001088506223 842593320 /nfs/dbraw/zinc/59/33/20/842593320.db2.gz MRZRLXNNNIZUMJ-SNPRPXQTSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1cc(Cl)cn1 ZINC001088506223 842593322 /nfs/dbraw/zinc/59/33/22/842593322.db2.gz MRZRLXNNNIZUMJ-SNPRPXQTSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001088506223 842593323 /nfs/dbraw/zinc/59/33/23/842593323.db2.gz MRZRLXNNNIZUMJ-SNPRPXQTSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001088506223 842593325 /nfs/dbraw/zinc/59/33/25/842593325.db2.gz MRZRLXNNNIZUMJ-SNPRPXQTSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001088506224 842593530 /nfs/dbraw/zinc/59/35/30/842593530.db2.gz MRZRLXNNNIZUMJ-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1cc(Cl)cn1 ZINC001088506224 842593535 /nfs/dbraw/zinc/59/35/35/842593535.db2.gz MRZRLXNNNIZUMJ-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001088506224 842593544 /nfs/dbraw/zinc/59/35/44/842593544.db2.gz MRZRLXNNNIZUMJ-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001088506224 842593546 /nfs/dbraw/zinc/59/35/46/842593546.db2.gz MRZRLXNNNIZUMJ-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506448 842593627 /nfs/dbraw/zinc/59/36/27/842593627.db2.gz VCBSOLPJTKOXLI-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506448 842593637 /nfs/dbraw/zinc/59/36/37/842593637.db2.gz VCBSOLPJTKOXLI-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506448 842593642 /nfs/dbraw/zinc/59/36/42/842593642.db2.gz VCBSOLPJTKOXLI-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506448 842593650 /nfs/dbraw/zinc/59/36/50/842593650.db2.gz VCBSOLPJTKOXLI-QLFBSQMISA-N 2 2 368.503 0.128 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041070 842751423 /nfs/dbraw/zinc/75/14/23/842751423.db2.gz BGPRKKYBZQXGFT-YUELXQCFSA-N 2 2 354.476 0.205 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041070 842751425 /nfs/dbraw/zinc/75/14/25/842751425.db2.gz BGPRKKYBZQXGFT-YUELXQCFSA-N 2 2 354.476 0.205 20 0 FCADLP CNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658524 842775121 /nfs/dbraw/zinc/77/51/21/842775121.db2.gz LUBPBILJCRGNEM-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658524 842775127 /nfs/dbraw/zinc/77/51/27/842775127.db2.gz LUBPBILJCRGNEM-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CNC(=O)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089658524 842775133 /nfs/dbraw/zinc/77/51/33/842775133.db2.gz LUBPBILJCRGNEM-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CNC(=O)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089658524 842775135 /nfs/dbraw/zinc/77/51/35/842775135.db2.gz LUBPBILJCRGNEM-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565350 843042581 /nfs/dbraw/zinc/04/25/81/843042581.db2.gz LSARKJSYKKGCKJ-CPUCHLNUSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565350 843042587 /nfs/dbraw/zinc/04/25/87/843042587.db2.gz LSARKJSYKKGCKJ-CPUCHLNUSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565350 843042601 /nfs/dbraw/zinc/04/26/01/843042601.db2.gz LSARKJSYKKGCKJ-CPUCHLNUSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565350 843042615 /nfs/dbraw/zinc/04/26/15/843042615.db2.gz LSARKJSYKKGCKJ-CPUCHLNUSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725512 843285068 /nfs/dbraw/zinc/28/50/68/843285068.db2.gz ONKRUPWJMYGGEX-DTZQCDIJSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725512 843285076 /nfs/dbraw/zinc/28/50/76/843285076.db2.gz ONKRUPWJMYGGEX-DTZQCDIJSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725512 843285084 /nfs/dbraw/zinc/28/50/84/843285084.db2.gz ONKRUPWJMYGGEX-DTZQCDIJSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725512 843285088 /nfs/dbraw/zinc/28/50/88/843285088.db2.gz ONKRUPWJMYGGEX-DTZQCDIJSA-N 2 2 350.463 0.886 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092747685 843292473 /nfs/dbraw/zinc/29/24/73/843292473.db2.gz HEJHQQOXOVFDEM-QLFBSQMISA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092747685 843292482 /nfs/dbraw/zinc/29/24/82/843292482.db2.gz HEJHQQOXOVFDEM-QLFBSQMISA-N 2 2 368.503 0.174 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)on1 ZINC001093691482 843456955 /nfs/dbraw/zinc/45/69/55/843456955.db2.gz YJRMJWGGJNNXBZ-NFAWXSAZSA-N 2 2 352.435 0.198 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)on1 ZINC001093691482 843456964 /nfs/dbraw/zinc/45/69/64/843456964.db2.gz YJRMJWGGJNNXBZ-NFAWXSAZSA-N 2 2 352.435 0.198 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094074751 843508406 /nfs/dbraw/zinc/50/84/06/843508406.db2.gz KJMLYWXASFYAKW-HZSPNIEDSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1 ZINC001094224352 843532213 /nfs/dbraw/zinc/53/22/13/843532213.db2.gz HCXHKIUIIZVBOZ-QLFBSQMISA-N 2 2 367.519 0.691 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001095768296 843755306 /nfs/dbraw/zinc/75/53/06/843755306.db2.gz CWUNBRBAXBSCQL-FZKCQIBNSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001095768296 843755311 /nfs/dbraw/zinc/75/53/11/843755311.db2.gz CWUNBRBAXBSCQL-FZKCQIBNSA-N 2 2 366.487 0.348 20 0 FCADLP CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095801341 843758059 /nfs/dbraw/zinc/75/80/59/843758059.db2.gz XEMSBWLWDXCCTD-ZBRFXRBCSA-N 2 2 351.491 0.998 20 0 FCADLP CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095801341 843758067 /nfs/dbraw/zinc/75/80/67/843758067.db2.gz XEMSBWLWDXCCTD-ZBRFXRBCSA-N 2 2 351.491 0.998 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001098946271 843950676 /nfs/dbraw/zinc/95/06/76/843950676.db2.gz KIKSSYRCOYYBFB-HOCLYGCPSA-N 2 2 354.476 0.207 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001098946271 843950680 /nfs/dbraw/zinc/95/06/80/843950680.db2.gz KIKSSYRCOYYBFB-HOCLYGCPSA-N 2 2 354.476 0.207 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093004 843961513 /nfs/dbraw/zinc/96/15/13/843961513.db2.gz RPTXQHJTNOFAQS-BXWFABGCSA-N 2 2 350.507 0.824 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093004 843961515 /nfs/dbraw/zinc/96/15/15/843961515.db2.gz RPTXQHJTNOFAQS-BXWFABGCSA-N 2 2 350.507 0.824 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)s1 ZINC001102819197 844652691 /nfs/dbraw/zinc/65/26/91/844652691.db2.gz PHTUGMJWIAIPBO-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)s1 ZINC001102819197 844652696 /nfs/dbraw/zinc/65/26/96/844652696.db2.gz PHTUGMJWIAIPBO-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)s1 ZINC001102819197 844652705 /nfs/dbraw/zinc/65/27/05/844652705.db2.gz PHTUGMJWIAIPBO-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)s1 ZINC001102819197 844652710 /nfs/dbraw/zinc/65/27/10/844652710.db2.gz PHTUGMJWIAIPBO-YUELXQCFSA-N 2 2 367.519 0.751 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170582 844714320 /nfs/dbraw/zinc/71/43/20/844714320.db2.gz CFLAAAHCADBVSO-CHWSQXEVSA-N 2 2 351.451 0.170 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170582 844714323 /nfs/dbraw/zinc/71/43/23/844714323.db2.gz CFLAAAHCADBVSO-CHWSQXEVSA-N 2 2 351.451 0.170 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170815 844715148 /nfs/dbraw/zinc/71/51/48/844715148.db2.gz JNLNDFNOWNWVEI-FRRDWIJNSA-N 2 2 351.451 0.298 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170815 844715155 /nfs/dbraw/zinc/71/51/55/844715155.db2.gz JNLNDFNOWNWVEI-FRRDWIJNSA-N 2 2 351.451 0.298 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290263 844732573 /nfs/dbraw/zinc/73/25/73/844732573.db2.gz HCXOOQZBYVUTEP-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290263 844732578 /nfs/dbraw/zinc/73/25/78/844732578.db2.gz HCXOOQZBYVUTEP-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103517614 844771928 /nfs/dbraw/zinc/77/19/28/844771928.db2.gz UXZVUFRKXUDIRV-BZUAXINKSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103517614 844771937 /nfs/dbraw/zinc/77/19/37/844771937.db2.gz UXZVUFRKXUDIRV-BZUAXINKSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103517614 844771941 /nfs/dbraw/zinc/77/19/41/844771941.db2.gz UXZVUFRKXUDIRV-BZUAXINKSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103517614 844771949 /nfs/dbraw/zinc/77/19/49/844771949.db2.gz UXZVUFRKXUDIRV-BZUAXINKSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644767 844793731 /nfs/dbraw/zinc/79/37/31/844793731.db2.gz PRZPAMXSZLXLKX-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644767 844793734 /nfs/dbraw/zinc/79/37/34/844793734.db2.gz PRZPAMXSZLXLKX-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033782 844856128 /nfs/dbraw/zinc/85/61/28/844856128.db2.gz HCAGTODSUUPYGZ-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033782 844856132 /nfs/dbraw/zinc/85/61/32/844856132.db2.gz HCAGTODSUUPYGZ-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033959 844856233 /nfs/dbraw/zinc/85/62/33/844856233.db2.gz MUTHVAAVPRICDT-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033959 844856241 /nfs/dbraw/zinc/85/62/41/844856241.db2.gz MUTHVAAVPRICDT-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104136130 844867751 /nfs/dbraw/zinc/86/77/51/844867751.db2.gz MPJINPYCPMMWMB-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104314861 844893287 /nfs/dbraw/zinc/89/32/87/844893287.db2.gz CEWYBDDQCQXFFG-KBUPBQIOSA-N 2 2 368.503 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104314861 844893291 /nfs/dbraw/zinc/89/32/91/844893291.db2.gz CEWYBDDQCQXFFG-KBUPBQIOSA-N 2 2 368.503 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104908973 844958915 /nfs/dbraw/zinc/95/89/15/844958915.db2.gz QWLRQAFTAGOIQL-ZIAGYGMSSA-N 2 2 370.519 0.806 20 0 FCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001105042219 844974193 /nfs/dbraw/zinc/97/41/93/844974193.db2.gz RYIXHJRMKFYHSN-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106226277 845140042 /nfs/dbraw/zinc/14/00/42/845140042.db2.gz UARCANJLFAMNLQ-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106226277 845140048 /nfs/dbraw/zinc/14/00/48/845140048.db2.gz UARCANJLFAMNLQ-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C[NH2+]CCCO ZINC001106474664 845179999 /nfs/dbraw/zinc/17/99/99/845179999.db2.gz QVFKBYQAWZAPRJ-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C[NH2+]CCCO ZINC001106474664 845180003 /nfs/dbraw/zinc/18/00/03/845180003.db2.gz QVFKBYQAWZAPRJ-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001106705003 845229143 /nfs/dbraw/zinc/22/91/43/845229143.db2.gz MYLHARADBSSHLJ-GHMZBOCLSA-N 2 2 363.447 0.127 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705039 845229498 /nfs/dbraw/zinc/22/94/98/845229498.db2.gz OPCCZKJQUFDAHJ-INMHGKMJSA-N 2 2 352.479 0.670 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001106799108 845255884 /nfs/dbraw/zinc/25/58/84/845255884.db2.gz BPEVDAFGUVHHCS-GHMZBOCLSA-N 2 2 361.368 0.315 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705980 861550331 /nfs/dbraw/zinc/55/03/31/861550331.db2.gz WMMSXNLSMNIGKQ-RHSMWYFYSA-N 2 2 350.419 0.138 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705980 861550340 /nfs/dbraw/zinc/55/03/40/861550340.db2.gz WMMSXNLSMNIGKQ-RHSMWYFYSA-N 2 2 350.419 0.138 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937403 845290448 /nfs/dbraw/zinc/29/04/48/845290448.db2.gz XSDHMZQNJZVJFM-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001107079133 845326472 /nfs/dbraw/zinc/32/64/72/845326472.db2.gz UNAHPSANIWQOAV-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107385996 845364537 /nfs/dbraw/zinc/36/45/37/845364537.db2.gz COVKZFBJRZHTFV-IIDMSEBBSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107385996 845364542 /nfs/dbraw/zinc/36/45/42/845364542.db2.gz COVKZFBJRZHTFV-IIDMSEBBSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610415 845407382 /nfs/dbraw/zinc/40/73/82/845407382.db2.gz YWZSEJAXERBYED-JFIYKMOQSA-N 2 2 350.463 0.331 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610415 845407390 /nfs/dbraw/zinc/40/73/90/845407390.db2.gz YWZSEJAXERBYED-JFIYKMOQSA-N 2 2 350.463 0.331 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107655222 845416105 /nfs/dbraw/zinc/41/61/05/845416105.db2.gz UUUGQNOEOLVTBT-SJLPKXTDSA-N 2 2 350.463 0.907 20 0 FCADLP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107655222 845416111 /nfs/dbraw/zinc/41/61/11/845416111.db2.gz UUUGQNOEOLVTBT-SJLPKXTDSA-N 2 2 350.463 0.907 20 0 FCADLP COCCOCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952509 845418904 /nfs/dbraw/zinc/41/89/04/845418904.db2.gz FAVBXYTXTKZZIA-JFIYKMOQSA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952509 845418908 /nfs/dbraw/zinc/41/89/08/845418908.db2.gz FAVBXYTXTKZZIA-JFIYKMOQSA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107952509 845418912 /nfs/dbraw/zinc/41/89/12/845418912.db2.gz FAVBXYTXTKZZIA-JFIYKMOQSA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952509 845418915 /nfs/dbraw/zinc/41/89/15/845418915.db2.gz FAVBXYTXTKZZIA-JFIYKMOQSA-N 2 2 357.495 0.197 20 0 FCADLP COCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001108223245 845432924 /nfs/dbraw/zinc/43/29/24/845432924.db2.gz YLIZPAHAQUMEQC-RKVPGOIHSA-N 2 2 350.463 0.767 20 0 FCADLP COCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001108223245 845432943 /nfs/dbraw/zinc/43/29/43/845432943.db2.gz YLIZPAHAQUMEQC-RKVPGOIHSA-N 2 2 350.463 0.767 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397357 845644167 /nfs/dbraw/zinc/64/41/67/845644167.db2.gz XVWIIXIGZYZIRC-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397357 845644169 /nfs/dbraw/zinc/64/41/69/845644169.db2.gz XVWIIXIGZYZIRC-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109397357 845644171 /nfs/dbraw/zinc/64/41/71/845644171.db2.gz XVWIIXIGZYZIRC-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109397357 845644174 /nfs/dbraw/zinc/64/41/74/845644174.db2.gz XVWIIXIGZYZIRC-YVSFHVDLSA-N 2 2 350.507 0.822 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109464023 845666703 /nfs/dbraw/zinc/66/67/03/845666703.db2.gz IAGMJMLXEXDOGG-WCVJEAGWSA-N 2 2 371.547 0.873 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109464023 845666712 /nfs/dbraw/zinc/66/67/12/845666712.db2.gz IAGMJMLXEXDOGG-WCVJEAGWSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109464023 845666718 /nfs/dbraw/zinc/66/67/18/845666718.db2.gz IAGMJMLXEXDOGG-WCVJEAGWSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001109464023 845666725 /nfs/dbraw/zinc/66/67/25/845666725.db2.gz IAGMJMLXEXDOGG-WCVJEAGWSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649998 845703719 /nfs/dbraw/zinc/70/37/19/845703719.db2.gz NJNLVMNOBWNQEG-WCVJEAGWSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649998 845703728 /nfs/dbraw/zinc/70/37/28/845703728.db2.gz NJNLVMNOBWNQEG-WCVJEAGWSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718947 845721627 /nfs/dbraw/zinc/72/16/27/845721627.db2.gz PHBRXQAHGNJKKF-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718947 845721634 /nfs/dbraw/zinc/72/16/34/845721634.db2.gz PHBRXQAHGNJKKF-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109718947 845721645 /nfs/dbraw/zinc/72/16/45/845721645.db2.gz PHBRXQAHGNJKKF-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109718947 845721656 /nfs/dbraw/zinc/72/16/56/845721656.db2.gz PHBRXQAHGNJKKF-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001109724135 845722459 /nfs/dbraw/zinc/72/24/59/845722459.db2.gz CTWBRLRNQZVORV-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001109724135 845722464 /nfs/dbraw/zinc/72/24/64/845722464.db2.gz CTWBRLRNQZVORV-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001109724135 845722468 /nfs/dbraw/zinc/72/24/68/845722468.db2.gz CTWBRLRNQZVORV-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001109724135 845722471 /nfs/dbraw/zinc/72/24/71/845722471.db2.gz CTWBRLRNQZVORV-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879670 845752337 /nfs/dbraw/zinc/75/23/37/845752337.db2.gz GBBYEHWJHWYWJE-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879670 845752343 /nfs/dbraw/zinc/75/23/43/845752343.db2.gz GBBYEHWJHWYWJE-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001110016329 845776501 /nfs/dbraw/zinc/77/65/01/845776501.db2.gz IRHFWJSUULWOKJ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001110016329 845776504 /nfs/dbraw/zinc/77/65/04/845776504.db2.gz IRHFWJSUULWOKJ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001110016329 845776509 /nfs/dbraw/zinc/77/65/09/845776509.db2.gz IRHFWJSUULWOKJ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001110016329 845776512 /nfs/dbraw/zinc/77/65/12/845776512.db2.gz IRHFWJSUULWOKJ-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001110016466 845777999 /nfs/dbraw/zinc/77/79/99/845777999.db2.gz PNGPKMXLMZBYCT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001110016466 845778005 /nfs/dbraw/zinc/77/80/05/845778005.db2.gz PNGPKMXLMZBYCT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001110016466 845778011 /nfs/dbraw/zinc/77/80/11/845778011.db2.gz PNGPKMXLMZBYCT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001110016466 845778018 /nfs/dbraw/zinc/77/80/18/845778018.db2.gz PNGPKMXLMZBYCT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102049 845789662 /nfs/dbraw/zinc/78/96/62/845789662.db2.gz QIEVVNFWNYTEFO-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110102049 845789665 /nfs/dbraw/zinc/78/96/65/845789665.db2.gz QIEVVNFWNYTEFO-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110102049 845789668 /nfs/dbraw/zinc/78/96/68/845789668.db2.gz QIEVVNFWNYTEFO-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110102049 845789672 /nfs/dbraw/zinc/78/96/72/845789672.db2.gz QIEVVNFWNYTEFO-WCVJEAGWSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001276795228 861611174 /nfs/dbraw/zinc/61/11/74/861611174.db2.gz GUIKYEICLFTDKD-DYVFJYSZSA-N 2 2 363.449 0.551 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001276795228 861611180 /nfs/dbraw/zinc/61/11/80/861611180.db2.gz GUIKYEICLFTDKD-DYVFJYSZSA-N 2 2 363.449 0.551 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386168 845876270 /nfs/dbraw/zinc/87/62/70/845876270.db2.gz HUKQGWHIWVQIHV-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386168 845876276 /nfs/dbraw/zinc/87/62/76/845876276.db2.gz HUKQGWHIWVQIHV-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110386168 845876280 /nfs/dbraw/zinc/87/62/80/845876280.db2.gz HUKQGWHIWVQIHV-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110386168 845876287 /nfs/dbraw/zinc/87/62/87/845876287.db2.gz HUKQGWHIWVQIHV-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110550377 845915766 /nfs/dbraw/zinc/91/57/66/845915766.db2.gz OFVCPZKHQUZDKD-WCVJEAGWSA-N 2 2 372.535 0.130 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110550377 845915769 /nfs/dbraw/zinc/91/57/69/845915769.db2.gz OFVCPZKHQUZDKD-WCVJEAGWSA-N 2 2 372.535 0.130 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110550377 845915771 /nfs/dbraw/zinc/91/57/71/845915771.db2.gz OFVCPZKHQUZDKD-WCVJEAGWSA-N 2 2 372.535 0.130 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110550377 845915773 /nfs/dbraw/zinc/91/57/73/845915773.db2.gz OFVCPZKHQUZDKD-WCVJEAGWSA-N 2 2 372.535 0.130 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664842 845942550 /nfs/dbraw/zinc/94/25/50/845942550.db2.gz AAGCDPHQOJLKCZ-KFWWJZLASA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664842 845942557 /nfs/dbraw/zinc/94/25/57/845942557.db2.gz AAGCDPHQOJLKCZ-KFWWJZLASA-N 2 2 372.535 0.132 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020953 846017266 /nfs/dbraw/zinc/01/72/66/846017266.db2.gz MCSOWDGPAYHCDE-VQHPVUNQSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020953 846017272 /nfs/dbraw/zinc/01/72/72/846017272.db2.gz MCSOWDGPAYHCDE-VQHPVUNQSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111020953 846017278 /nfs/dbraw/zinc/01/72/78/846017278.db2.gz MCSOWDGPAYHCDE-VQHPVUNQSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111020953 846017282 /nfs/dbraw/zinc/01/72/82/846017282.db2.gz MCSOWDGPAYHCDE-VQHPVUNQSA-N 2 2 350.507 0.918 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111035456 846020403 /nfs/dbraw/zinc/02/04/03/846020403.db2.gz BBVYGMSZUCHCDO-WCVJEAGWSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111035456 846020413 /nfs/dbraw/zinc/02/04/13/846020413.db2.gz BBVYGMSZUCHCDO-WCVJEAGWSA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658599 846167623 /nfs/dbraw/zinc/16/76/23/846167623.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658599 846167634 /nfs/dbraw/zinc/16/76/34/846167634.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658599 846167644 /nfs/dbraw/zinc/16/76/44/846167644.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658599 846167654 /nfs/dbraw/zinc/16/76/54/846167654.db2.gz HLWAIODLVGCOGH-BXWFABGCSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122348 846400566 /nfs/dbraw/zinc/40/05/66/846400566.db2.gz ISJBCFNURNEQRO-JHJVBQTASA-N 2 2 364.412 0.586 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122348 846400572 /nfs/dbraw/zinc/40/05/72/846400572.db2.gz ISJBCFNURNEQRO-JHJVBQTASA-N 2 2 364.412 0.586 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141280 846412915 /nfs/dbraw/zinc/41/29/15/846412915.db2.gz ULWVFNXGIORTRK-VXGBXAGGSA-N 2 2 361.368 0.340 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112193026 846451240 /nfs/dbraw/zinc/45/12/40/846451240.db2.gz GQAJIQMJHJDUBI-MVWJERBFSA-N 2 2 361.368 0.076 20 0 FCADLP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590884 846534300 /nfs/dbraw/zinc/53/43/00/846534300.db2.gz VWBFMVYVYBOHHX-HOCLYGCPSA-N 2 2 354.476 0.146 20 0 FCADLP C[C@H]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001117141198 846907844 /nfs/dbraw/zinc/90/78/44/846907844.db2.gz RPXHMHUASJSPMJ-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP c1nc(C2OCCO2)sc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001117578122 847090204 /nfs/dbraw/zinc/09/02/04/847090204.db2.gz LRMGHRCLZGDNJW-CQSZACIVSA-N 2 2 368.503 0.685 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858684 847186837 /nfs/dbraw/zinc/18/68/37/847186837.db2.gz PPVWYFMJBAFIPG-INMHGKMJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858684 847186841 /nfs/dbraw/zinc/18/68/41/847186841.db2.gz PPVWYFMJBAFIPG-INMHGKMJSA-N 2 2 350.507 0.728 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CN1CC[NH+]1CCOCC1 ZINC001120495257 848220786 /nfs/dbraw/zinc/22/07/86/848220786.db2.gz IUGNQAYRIAHIQZ-IRXDYDNUSA-N 2 2 351.422 0.382 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)CN1CC[NH+]1CCOCC1 ZINC001120495671 848221243 /nfs/dbraw/zinc/22/12/43/848221243.db2.gz RGVQMYNTFYRGMD-SJORKVTESA-N 2 2 367.877 0.896 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064651 848802874 /nfs/dbraw/zinc/80/28/74/848802874.db2.gz KAUZZNWFSDAPFF-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064651 848802878 /nfs/dbraw/zinc/80/28/78/848802878.db2.gz KAUZZNWFSDAPFF-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064651 848802880 /nfs/dbraw/zinc/80/28/80/848802880.db2.gz KAUZZNWFSDAPFF-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064651 848802887 /nfs/dbraw/zinc/80/28/87/848802887.db2.gz KAUZZNWFSDAPFF-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891394 848908888 /nfs/dbraw/zinc/90/88/88/848908888.db2.gz KGGJYLUCYOHCKG-GMTAPVOTSA-N 2 2 350.341 0.159 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891394 848908891 /nfs/dbraw/zinc/90/88/91/848908891.db2.gz KGGJYLUCYOHCKG-GMTAPVOTSA-N 2 2 350.341 0.159 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129940999 848919847 /nfs/dbraw/zinc/91/98/47/848919847.db2.gz DTEFFZPWIQQGGZ-UUQASAMASA-N 2 2 363.853 0.738 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H](n2ccnn2)C1 ZINC001130024088 848933033 /nfs/dbraw/zinc/93/30/33/848933033.db2.gz JTJVWMMRQZZSAI-NEPJUHHUSA-N 2 2 370.244 0.904 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001130074542 848939365 /nfs/dbraw/zinc/93/93/65/848939365.db2.gz ADXSFGPGXOPBRI-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001130074542 848939370 /nfs/dbraw/zinc/93/93/70/848939370.db2.gz ADXSFGPGXOPBRI-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)[N@H+](C)CC)n[nH]1 ZINC001130221182 848979032 /nfs/dbraw/zinc/97/90/32/848979032.db2.gz YMEFLDYRNYIMCJ-STQMWFEESA-N 2 2 352.483 0.633 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)[N@@H+](C)CC)n[nH]1 ZINC001130221182 848979040 /nfs/dbraw/zinc/97/90/40/848979040.db2.gz YMEFLDYRNYIMCJ-STQMWFEESA-N 2 2 352.483 0.633 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CCC[C@H]3C)n2)O1 ZINC001130809296 849047592 /nfs/dbraw/zinc/04/75/92/849047592.db2.gz QEUMLPVFTJZQLO-HZSPNIEDSA-N 2 2 350.467 0.735 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CCC[C@H]3C)n2)O1 ZINC001130809296 849047593 /nfs/dbraw/zinc/04/75/93/849047593.db2.gz QEUMLPVFTJZQLO-HZSPNIEDSA-N 2 2 350.467 0.735 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1csnn1 ZINC001131061586 849075815 /nfs/dbraw/zinc/07/58/15/849075815.db2.gz GWTBSQCMFHDBNS-ZIAGYGMSSA-N 2 2 363.491 0.308 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1csnn1 ZINC001131061586 849075819 /nfs/dbraw/zinc/07/58/19/849075819.db2.gz GWTBSQCMFHDBNS-ZIAGYGMSSA-N 2 2 363.491 0.308 20 0 FCADLP O=C(NCC[NH2+]CC[C@@H]1CCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613426 849131089 /nfs/dbraw/zinc/13/10/89/849131089.db2.gz AMHFSSCYKFXMAX-BBWFWOEESA-N 2 2 355.479 0.141 20 0 FCADLP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)s1 ZINC001134049902 849171027 /nfs/dbraw/zinc/17/10/27/849171027.db2.gz TWYYKWZMMJOUEL-GHMZBOCLSA-N 2 2 363.447 0.028 20 0 FCADLP CNc1nc(SC)ncc1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001140842215 849372746 /nfs/dbraw/zinc/37/27/46/849372746.db2.gz VWIPBHYQQJDLJQ-UHFFFAOYSA-N 2 2 352.508 0.836 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC001141181080 849385091 /nfs/dbraw/zinc/38/50/91/849385091.db2.gz OBDPCFQMGVYEOU-MRXNPFEDSA-N 2 2 368.503 0.700 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC001141181080 849385101 /nfs/dbraw/zinc/38/51/01/849385101.db2.gz OBDPCFQMGVYEOU-MRXNPFEDSA-N 2 2 368.503 0.700 20 0 FCADLP CCNS(=O)(=O)c1cccnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375111 849848833 /nfs/dbraw/zinc/84/88/33/849848833.db2.gz AIKNPKLSJXUPCL-CQSZACIVSA-N 2 2 353.492 0.239 20 0 FCADLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3nc(Cl)nc(N4CCOCC4)n3)C2)C1 ZINC001155373756 849848795 /nfs/dbraw/zinc/84/87/95/849848795.db2.gz UJWVBZHJQJWJBD-ZDUSSCGKSA-N 2 2 367.885 0.221 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncccc1S(=O)(=O)N1CCCCC1 ZINC001158209568 850024188 /nfs/dbraw/zinc/02/41/88/850024188.db2.gz YGYIXOSVIDZXLO-CYBMUJFWSA-N 2 2 365.459 0.304 20 0 FCADLP NC(=O)c1nc(Cl)nc(Cl)c1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260368 850030846 /nfs/dbraw/zinc/03/08/46/850030846.db2.gz CKLPSAWPPCFSAS-MRVPVSSYSA-N 2 2 359.261 0.884 20 0 FCADLP NC(=O)c1nc(Cl)nc(Cl)c1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260368 850030852 /nfs/dbraw/zinc/03/08/52/850030852.db2.gz CKLPSAWPPCFSAS-MRVPVSSYSA-N 2 2 359.261 0.884 20 0 FCADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001158642928 850064136 /nfs/dbraw/zinc/06/41/36/850064136.db2.gz QOYRUVHJARBFKT-DYVFJYSZSA-N 2 2 363.487 0.761 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001159076895 850096036 /nfs/dbraw/zinc/09/60/36/850096036.db2.gz LCUZQGRPSMNGIJ-WBAXXEDZSA-N 2 2 353.463 0.241 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C1 ZINC001159220739 850103434 /nfs/dbraw/zinc/10/34/34/850103434.db2.gz OAPDUFNKHKBPHG-VKJFTORMSA-N 2 2 362.499 0.892 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001277793981 862096970 /nfs/dbraw/zinc/09/69/70/862096970.db2.gz BXGOSQFOKPEIEC-GVDBMIGSSA-N 2 2 350.463 0.734 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001277793981 862096985 /nfs/dbraw/zinc/09/69/85/862096985.db2.gz BXGOSQFOKPEIEC-GVDBMIGSSA-N 2 2 350.463 0.734 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832236 850139061 /nfs/dbraw/zinc/13/90/61/850139061.db2.gz BHDMWEKCIHTGAZ-MELADBBJSA-N 2 2 352.460 0.456 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832236 850139066 /nfs/dbraw/zinc/13/90/66/850139066.db2.gz BHDMWEKCIHTGAZ-MELADBBJSA-N 2 2 352.460 0.456 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001277793978 862096670 /nfs/dbraw/zinc/09/66/70/862096670.db2.gz BXGOSQFOKPEIEC-BRWVUGGUSA-N 2 2 350.463 0.734 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001277793978 862096677 /nfs/dbraw/zinc/09/66/77/862096677.db2.gz BXGOSQFOKPEIEC-BRWVUGGUSA-N 2 2 350.463 0.734 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506847 850178315 /nfs/dbraw/zinc/17/83/15/850178315.db2.gz SEHPPTGOVGVNCJ-GFCCVEGCSA-N 2 2 350.810 0.793 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001160601869 850184303 /nfs/dbraw/zinc/18/43/03/850184303.db2.gz DXRKDKZGAIIFNE-YPMHNXCESA-N 2 2 357.380 0.828 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726835 850194967 /nfs/dbraw/zinc/19/49/67/850194967.db2.gz XQCVBRNBJWKATQ-HNNXBMFYSA-N 2 2 366.487 0.461 20 0 FCADLP CC(C)c1nsc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160851271 850204417 /nfs/dbraw/zinc/20/44/17/850204417.db2.gz VLASGPINLCNITK-CHWSQXEVSA-N 2 2 355.508 0.977 20 0 FCADLP CC(C)c1nsc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160851271 850204429 /nfs/dbraw/zinc/20/44/29/850204429.db2.gz VLASGPINLCNITK-CHWSQXEVSA-N 2 2 355.508 0.977 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160911540 850212185 /nfs/dbraw/zinc/21/21/85/850212185.db2.gz GVBUUGUJONZOTE-LBPRGKRZSA-N 2 2 350.810 0.793 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1)c1ccccc1 ZINC001160906667 850212535 /nfs/dbraw/zinc/21/25/35/850212535.db2.gz KAQJCIJKQGXAEV-IRXDYDNUSA-N 3 2 366.531 0.538 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001161239195 850243063 /nfs/dbraw/zinc/24/30/63/850243063.db2.gz XVXVNJCGXBSBPK-GJZGRUSLSA-N 2 2 361.833 0.643 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161498051 850264362 /nfs/dbraw/zinc/26/43/62/850264362.db2.gz GXMXBWKHKMWSNE-ZFWWWQNUSA-N 2 2 355.479 0.757 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161498051 850264377 /nfs/dbraw/zinc/26/43/77/850264377.db2.gz GXMXBWKHKMWSNE-ZFWWWQNUSA-N 2 2 355.479 0.757 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835801 862123011 /nfs/dbraw/zinc/12/30/11/862123011.db2.gz MHBXCVKXFCQARJ-DLBZAZTESA-N 3 2 354.539 0.469 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001277836958 862124410 /nfs/dbraw/zinc/12/44/10/862124410.db2.gz SXXALIMMBOBRAW-CAOSSQGBSA-N 2 2 354.495 0.018 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001277836958 862124413 /nfs/dbraw/zinc/12/44/13/862124413.db2.gz SXXALIMMBOBRAW-CAOSSQGBSA-N 2 2 354.495 0.018 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH+](CC)CC ZINC001277836959 862124826 /nfs/dbraw/zinc/12/48/26/862124826.db2.gz SXXALIMMBOBRAW-KLHDSHLOSA-N 2 2 354.495 0.018 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH+](CC)CC ZINC001277836959 862124834 /nfs/dbraw/zinc/12/48/34/862124834.db2.gz SXXALIMMBOBRAW-KLHDSHLOSA-N 2 2 354.495 0.018 20 0 FCADLP COC[C@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271315 850538609 /nfs/dbraw/zinc/53/86/09/850538609.db2.gz LIJCEBGULWWAOG-RBSFLKMASA-N 2 2 350.463 0.407 20 0 FCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001168893422 850599087 /nfs/dbraw/zinc/59/90/87/850599087.db2.gz IBKJKJHZJFQIEA-ZDUSSCGKSA-N 2 2 350.515 0.539 20 0 FCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001168893422 850599096 /nfs/dbraw/zinc/59/90/96/850599096.db2.gz IBKJKJHZJFQIEA-ZDUSSCGKSA-N 2 2 350.515 0.539 20 0 FCADLP CCOC(=O)c1c(C)nc(SC)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066774 850604667 /nfs/dbraw/zinc/60/46/67/850604667.db2.gz JAUDPUUDMRVWPN-SNVBAGLBSA-N 2 2 351.432 0.731 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169134429 850608300 /nfs/dbraw/zinc/60/83/00/850608300.db2.gz UDAQHIQXXNSNGY-CFIJBQEISA-N 2 2 351.491 0.948 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169134429 850608303 /nfs/dbraw/zinc/60/83/03/850608303.db2.gz UDAQHIQXXNSNGY-CFIJBQEISA-N 2 2 351.491 0.948 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169134429 850608306 /nfs/dbraw/zinc/60/83/06/850608306.db2.gz UDAQHIQXXNSNGY-CFIJBQEISA-N 2 2 351.491 0.948 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169134429 850608308 /nfs/dbraw/zinc/60/83/08/850608308.db2.gz UDAQHIQXXNSNGY-CFIJBQEISA-N 2 2 351.491 0.948 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169319659 850612454 /nfs/dbraw/zinc/61/24/54/850612454.db2.gz HTDIXNATPVEFJI-RQJABVFESA-N 2 2 357.451 0.633 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2(C[NH3+])CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170033686 850644228 /nfs/dbraw/zinc/64/42/28/850644228.db2.gz HNLSTTZCIHYVJM-STQMWFEESA-N 2 2 370.519 0.978 20 0 FCADLP COc1cc(C[NH+]2CCOCC2)ccc1NCCOCCOCC[NH3+] ZINC001170512790 850655957 /nfs/dbraw/zinc/65/59/57/850655957.db2.gz NEWKQMXWSGOZNW-UHFFFAOYSA-N 2 2 353.463 0.931 20 0 FCADLP CCOC(=O)c1c[nH+]c(N[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)cc1N(C)C ZINC001170869487 850668785 /nfs/dbraw/zinc/66/87/85/850668785.db2.gz FRYCXCXHZJHTET-DGCLKSJQSA-N 2 2 350.419 0.887 20 0 FCADLP COCC[N@H+]([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C1CC[NH+](C)CC1 ZINC001173579854 850730112 /nfs/dbraw/zinc/73/01/12/850730112.db2.gz PQKSYAXEJLTOHW-PHZGNYQRSA-N 2 2 356.463 0.770 20 0 FCADLP COCC[N@@H+]([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C1CC[NH+](C)CC1 ZINC001173579854 850730113 /nfs/dbraw/zinc/73/01/13/850730113.db2.gz PQKSYAXEJLTOHW-PHZGNYQRSA-N 2 2 356.463 0.770 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001176883155 850810507 /nfs/dbraw/zinc/81/05/07/850810507.db2.gz FADMWZJIGZMEFP-UHFFFAOYSA-N 2 2 363.443 0.219 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnon1 ZINC001181884949 851139282 /nfs/dbraw/zinc/13/92/82/851139282.db2.gz MWIOEASMOYIBFU-GKLJAUDBSA-N 2 2 351.451 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnon1 ZINC001181884949 851139286 /nfs/dbraw/zinc/13/92/86/851139286.db2.gz MWIOEASMOYIBFU-GKLJAUDBSA-N 2 2 351.451 0.363 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187304683 851543835 /nfs/dbraw/zinc/54/38/35/851543835.db2.gz LTYWUTUHWPIORK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187304683 851543847 /nfs/dbraw/zinc/54/38/47/851543847.db2.gz LTYWUTUHWPIORK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187304683 851543857 /nfs/dbraw/zinc/54/38/57/851543857.db2.gz LTYWUTUHWPIORK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187304683 851543871 /nfs/dbraw/zinc/54/38/71/851543871.db2.gz LTYWUTUHWPIORK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188819515 851729553 /nfs/dbraw/zinc/72/95/53/851729553.db2.gz WRUZMHQINKQXJK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188819515 851729557 /nfs/dbraw/zinc/72/95/57/851729557.db2.gz WRUZMHQINKQXJK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188819515 851729561 /nfs/dbraw/zinc/72/95/61/851729561.db2.gz WRUZMHQINKQXJK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001188819515 851729565 /nfs/dbraw/zinc/72/95/65/851729565.db2.gz WRUZMHQINKQXJK-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189135907 851756906 /nfs/dbraw/zinc/75/69/06/851756906.db2.gz RLUZKKMWARYLKF-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189135907 851756915 /nfs/dbraw/zinc/75/69/15/851756915.db2.gz RLUZKKMWARYLKF-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189135907 851756925 /nfs/dbraw/zinc/75/69/25/851756925.db2.gz RLUZKKMWARYLKF-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189135907 851756934 /nfs/dbraw/zinc/75/69/34/851756934.db2.gz RLUZKKMWARYLKF-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278396048 862313239 /nfs/dbraw/zinc/31/32/39/862313239.db2.gz WYIORSCPRFQRSX-HOTGVXAUSA-N 2 2 350.463 0.638 20 0 FCADLP CCOC(=O)c1[nH]ccc1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278396048 862313252 /nfs/dbraw/zinc/31/32/52/862313252.db2.gz WYIORSCPRFQRSX-HOTGVXAUSA-N 2 2 350.463 0.638 20 0 FCADLP C[N@H+](CCCF)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468311 852080539 /nfs/dbraw/zinc/08/05/39/852080539.db2.gz CGQTTYOIAVWMBQ-BBWFWOEESA-N 2 2 357.470 0.759 20 0 FCADLP C[N@@H+](CCCF)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468311 852080547 /nfs/dbraw/zinc/08/05/47/852080547.db2.gz CGQTTYOIAVWMBQ-BBWFWOEESA-N 2 2 357.470 0.759 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001192639977 852269173 /nfs/dbraw/zinc/26/91/73/852269173.db2.gz NGTBKWJGTFGFQZ-OAGGEKHMSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001192639977 852269183 /nfs/dbraw/zinc/26/91/83/852269183.db2.gz NGTBKWJGTFGFQZ-OAGGEKHMSA-N 2 2 350.463 0.709 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1O ZINC001193447221 852429331 /nfs/dbraw/zinc/42/93/31/852429331.db2.gz NTQPPFXJHMGSKI-BRWVUGGUSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1O ZINC001193447221 852429332 /nfs/dbraw/zinc/42/93/32/852429332.db2.gz NTQPPFXJHMGSKI-BRWVUGGUSA-N 2 2 352.454 0.731 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193780594 852486582 /nfs/dbraw/zinc/48/65/82/852486582.db2.gz CYMPWOYUUTUJJU-BRWVUGGUSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193780594 852486590 /nfs/dbraw/zinc/48/65/90/852486590.db2.gz CYMPWOYUUTUJJU-BRWVUGGUSA-N 2 2 350.463 0.547 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)C1CC1 ZINC001193792077 852488926 /nfs/dbraw/zinc/48/89/26/852488926.db2.gz WHDXDNADPISYCZ-KFWWJZLASA-N 2 2 355.870 0.038 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)C1CC1 ZINC001193792077 852488936 /nfs/dbraw/zinc/48/89/36/852488936.db2.gz WHDXDNADPISYCZ-KFWWJZLASA-N 2 2 355.870 0.038 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O)C1CCC1 ZINC001193821476 852494937 /nfs/dbraw/zinc/49/49/37/852494937.db2.gz JTNOUQVLMNABFS-HUUCEWRRSA-N 2 2 355.870 0.182 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O)C1CCC1 ZINC001193821476 852494941 /nfs/dbraw/zinc/49/49/41/852494941.db2.gz JTNOUQVLMNABFS-HUUCEWRRSA-N 2 2 355.870 0.182 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)C1CCC1 ZINC001193821476 852494946 /nfs/dbraw/zinc/49/49/46/852494946.db2.gz JTNOUQVLMNABFS-HUUCEWRRSA-N 2 2 355.870 0.182 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)C1CCC1 ZINC001193821476 852494949 /nfs/dbraw/zinc/49/49/49/852494949.db2.gz JTNOUQVLMNABFS-HUUCEWRRSA-N 2 2 355.870 0.182 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CC1C(=O)N=CNC1=O)CC2 ZINC001278560760 862372364 /nfs/dbraw/zinc/37/23/64/862372364.db2.gz LJVNXWMIBFHYSQ-UHFFFAOYSA-N 2 2 352.435 0.796 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CC[NH+](CC1C(=O)N=CNC1=O)CC2 ZINC001278560760 862372383 /nfs/dbraw/zinc/37/23/83/862372383.db2.gz LJVNXWMIBFHYSQ-UHFFFAOYSA-N 2 2 352.435 0.796 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)c(F)c2)CC1 ZINC001194541230 852612991 /nfs/dbraw/zinc/61/29/91/852612991.db2.gz DIRDVRFFUMVDHL-HNNXBMFYSA-N 2 2 350.438 0.638 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c(F)c2)CC1 ZINC001194541230 852612997 /nfs/dbraw/zinc/61/29/97/852612997.db2.gz DIRDVRFFUMVDHL-HNNXBMFYSA-N 2 2 350.438 0.638 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006463 852690803 /nfs/dbraw/zinc/69/08/03/852690803.db2.gz IPYDIRWKQSFMBZ-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006463 852690810 /nfs/dbraw/zinc/69/08/10/852690810.db2.gz IPYDIRWKQSFMBZ-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707935 852816344 /nfs/dbraw/zinc/81/63/44/852816344.db2.gz ATZGAHDDQAGBLE-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707935 852816351 /nfs/dbraw/zinc/81/63/51/852816351.db2.gz ATZGAHDDQAGBLE-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196199080 852911029 /nfs/dbraw/zinc/91/10/29/852911029.db2.gz AMLWERRZSINRDT-IAGOWNOFSA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196199080 852911040 /nfs/dbraw/zinc/91/10/40/852911040.db2.gz AMLWERRZSINRDT-IAGOWNOFSA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196199080 852911049 /nfs/dbraw/zinc/91/10/49/852911049.db2.gz AMLWERRZSINRDT-IAGOWNOFSA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196199080 852911056 /nfs/dbraw/zinc/91/10/56/852911056.db2.gz AMLWERRZSINRDT-IAGOWNOFSA-N 2 2 355.523 0.942 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222502 852920803 /nfs/dbraw/zinc/92/08/03/852920803.db2.gz PUHLLATWWDYTRY-RBSFLKMASA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222502 852920811 /nfs/dbraw/zinc/92/08/11/852920811.db2.gz PUHLLATWWDYTRY-RBSFLKMASA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222502 852920814 /nfs/dbraw/zinc/92/08/14/852920814.db2.gz PUHLLATWWDYTRY-RBSFLKMASA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222502 852920819 /nfs/dbraw/zinc/92/08/19/852920819.db2.gz PUHLLATWWDYTRY-RBSFLKMASA-N 2 2 356.511 0.170 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001196631908 852988846 /nfs/dbraw/zinc/98/88/46/852988846.db2.gz QHXKDZHNUQNOPO-RBSFLKMASA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001196631908 852988855 /nfs/dbraw/zinc/98/88/55/852988855.db2.gz QHXKDZHNUQNOPO-RBSFLKMASA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001196631908 852988861 /nfs/dbraw/zinc/98/88/61/852988861.db2.gz QHXKDZHNUQNOPO-RBSFLKMASA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001196631908 852988866 /nfs/dbraw/zinc/98/88/66/852988866.db2.gz QHXKDZHNUQNOPO-RBSFLKMASA-N 2 2 363.449 0.692 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826722 853016078 /nfs/dbraw/zinc/01/60/78/853016078.db2.gz HJWWRLWORTXQTA-IAOVAPTHSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826722 853016088 /nfs/dbraw/zinc/01/60/88/853016088.db2.gz HJWWRLWORTXQTA-IAOVAPTHSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826722 853016099 /nfs/dbraw/zinc/01/60/99/853016099.db2.gz HJWWRLWORTXQTA-IAOVAPTHSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826722 853016108 /nfs/dbraw/zinc/01/61/08/853016108.db2.gz HJWWRLWORTXQTA-IAOVAPTHSA-N 2 2 350.463 0.566 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)n1 ZINC001197048845 853052667 /nfs/dbraw/zinc/05/26/67/853052667.db2.gz HBZSSZRZDFHYIH-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)n1 ZINC001197048845 853052669 /nfs/dbraw/zinc/05/26/69/853052669.db2.gz HBZSSZRZDFHYIH-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197050022 853052703 /nfs/dbraw/zinc/05/27/03/853052703.db2.gz SRITVYFISYCKIQ-BRWVUGGUSA-N 2 2 353.438 0.362 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001197050022 853052705 /nfs/dbraw/zinc/05/27/05/853052705.db2.gz SRITVYFISYCKIQ-BRWVUGGUSA-N 2 2 353.438 0.362 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)sn1 ZINC001197319944 853099268 /nfs/dbraw/zinc/09/92/68/853099268.db2.gz RKRBANOQKZVJHZ-HZPDHXFCSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)sn1 ZINC001197319944 853099273 /nfs/dbraw/zinc/09/92/73/853099273.db2.gz RKRBANOQKZVJHZ-HZPDHXFCSA-N 2 2 368.503 0.224 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)o1 ZINC001197528586 853126765 /nfs/dbraw/zinc/12/67/65/853126765.db2.gz PJDGLBFEGQZZJM-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)o1 ZINC001197528586 853126770 /nfs/dbraw/zinc/12/67/70/853126770.db2.gz PJDGLBFEGQZZJM-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C2)o1 ZINC001197528586 853126776 /nfs/dbraw/zinc/12/67/76/853126776.db2.gz PJDGLBFEGQZZJM-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C2)o1 ZINC001197528586 853126782 /nfs/dbraw/zinc/12/67/82/853126782.db2.gz PJDGLBFEGQZZJM-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001197536115 853128037 /nfs/dbraw/zinc/12/80/37/853128037.db2.gz KDQITFQCSPRQGV-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001197536115 853128040 /nfs/dbraw/zinc/12/80/40/853128040.db2.gz KDQITFQCSPRQGV-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001197536115 853128044 /nfs/dbraw/zinc/12/80/44/853128044.db2.gz KDQITFQCSPRQGV-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001197536115 853128046 /nfs/dbraw/zinc/12/80/46/853128046.db2.gz KDQITFQCSPRQGV-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1O ZINC001197996619 853200327 /nfs/dbraw/zinc/20/03/27/853200327.db2.gz AFMAQRTUISUDES-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1O ZINC001197996619 853200338 /nfs/dbraw/zinc/20/03/38/853200338.db2.gz AFMAQRTUISUDES-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001197996619 853200344 /nfs/dbraw/zinc/20/03/44/853200344.db2.gz AFMAQRTUISUDES-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001197996619 853200352 /nfs/dbraw/zinc/20/03/52/853200352.db2.gz AFMAQRTUISUDES-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037904 853207562 /nfs/dbraw/zinc/20/75/62/853207562.db2.gz AKPZKWLXTRMKAA-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037904 853207568 /nfs/dbraw/zinc/20/75/68/853207568.db2.gz AKPZKWLXTRMKAA-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037904 853207579 /nfs/dbraw/zinc/20/75/79/853207579.db2.gz AKPZKWLXTRMKAA-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037904 853207589 /nfs/dbraw/zinc/20/75/89/853207589.db2.gz AKPZKWLXTRMKAA-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001198038424 853208970 /nfs/dbraw/zinc/20/89/70/853208970.db2.gz QPIUXBBKGFOMHS-IAGOWNOFSA-N 2 2 350.463 0.945 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001198038424 853208977 /nfs/dbraw/zinc/20/89/77/853208977.db2.gz QPIUXBBKGFOMHS-IAGOWNOFSA-N 2 2 350.463 0.945 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001198038424 853208983 /nfs/dbraw/zinc/20/89/83/853208983.db2.gz QPIUXBBKGFOMHS-IAGOWNOFSA-N 2 2 350.463 0.945 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001198038424 853208988 /nfs/dbraw/zinc/20/89/88/853208988.db2.gz QPIUXBBKGFOMHS-IAGOWNOFSA-N 2 2 350.463 0.945 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398471 853419329 /nfs/dbraw/zinc/41/93/29/853419329.db2.gz RDHIKCZLTKJYSH-HUUCEWRRSA-N 2 2 363.487 0.832 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398471 853419337 /nfs/dbraw/zinc/41/93/37/853419337.db2.gz RDHIKCZLTKJYSH-HUUCEWRRSA-N 2 2 363.487 0.832 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641668 853832738 /nfs/dbraw/zinc/83/27/38/853832738.db2.gz YQMKFSLQTCYVSZ-INMHGKMJSA-N 2 2 356.511 0.162 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641668 853832743 /nfs/dbraw/zinc/83/27/43/853832743.db2.gz YQMKFSLQTCYVSZ-INMHGKMJSA-N 2 2 356.511 0.162 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708756 853845280 /nfs/dbraw/zinc/84/52/80/853845280.db2.gz IORWAAYDDQMJMH-OAGGEKHMSA-N 2 2 353.511 0.615 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207708756 853845283 /nfs/dbraw/zinc/84/52/83/853845283.db2.gz IORWAAYDDQMJMH-OAGGEKHMSA-N 2 2 353.511 0.615 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207708756 853845285 /nfs/dbraw/zinc/84/52/85/853845285.db2.gz IORWAAYDDQMJMH-OAGGEKHMSA-N 2 2 353.511 0.615 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001207708756 853845288 /nfs/dbraw/zinc/84/52/88/853845288.db2.gz IORWAAYDDQMJMH-OAGGEKHMSA-N 2 2 353.511 0.615 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207760822 853855725 /nfs/dbraw/zinc/85/57/25/853855725.db2.gz DMAWISWNOUZDGO-OWCLPIDISA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001207760822 853855726 /nfs/dbraw/zinc/85/57/26/853855726.db2.gz DMAWISWNOUZDGO-OWCLPIDISA-N 2 2 350.463 0.545 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364907 853922027 /nfs/dbraw/zinc/92/20/27/853922027.db2.gz JKZGVXOZHAIYBO-MGPQQGTHSA-N 2 2 354.476 0.529 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364907 853922032 /nfs/dbraw/zinc/92/20/32/853922032.db2.gz JKZGVXOZHAIYBO-MGPQQGTHSA-N 2 2 354.476 0.529 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364906 853922621 /nfs/dbraw/zinc/92/26/21/853922621.db2.gz JKZGVXOZHAIYBO-BFHYXJOUSA-N 2 2 354.476 0.529 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364906 853922627 /nfs/dbraw/zinc/92/26/27/853922627.db2.gz JKZGVXOZHAIYBO-BFHYXJOUSA-N 2 2 354.476 0.529 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208646902 853962796 /nfs/dbraw/zinc/96/27/96/853962796.db2.gz VNIWMJLSIQHFHT-HUUCEWRRSA-N 2 2 361.552 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001208646902 853962801 /nfs/dbraw/zinc/96/28/01/853962801.db2.gz VNIWMJLSIQHFHT-HUUCEWRRSA-N 2 2 361.552 0.836 20 0 FCADLP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001208646902 853962807 /nfs/dbraw/zinc/96/28/07/853962807.db2.gz VNIWMJLSIQHFHT-HUUCEWRRSA-N 2 2 361.552 0.836 20 0 FCADLP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001208646902 853962811 /nfs/dbraw/zinc/96/28/11/853962811.db2.gz VNIWMJLSIQHFHT-HUUCEWRRSA-N 2 2 361.552 0.836 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001208670285 853965189 /nfs/dbraw/zinc/96/51/89/853965189.db2.gz NOILCANXROMLIZ-ZACQAIPSSA-N 2 2 357.470 0.806 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478606 854030746 /nfs/dbraw/zinc/03/07/46/854030746.db2.gz WQWDWZAQFQZHQN-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478606 854030752 /nfs/dbraw/zinc/03/07/52/854030752.db2.gz WQWDWZAQFQZHQN-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477181 854030852 /nfs/dbraw/zinc/03/08/52/854030852.db2.gz AIWZOHGDLGVAOY-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477181 854030856 /nfs/dbraw/zinc/03/08/56/854030856.db2.gz AIWZOHGDLGVAOY-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001209642323 854043301 /nfs/dbraw/zinc/04/33/01/854043301.db2.gz GDOHXHKAZXSYGO-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001209642323 854043305 /nfs/dbraw/zinc/04/33/05/854043305.db2.gz GDOHXHKAZXSYGO-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CCc1nnc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)o1 ZINC001210297506 854097133 /nfs/dbraw/zinc/09/71/33/854097133.db2.gz HQPAYCGTINWWJC-MGPQQGTHSA-N 2 2 353.467 0.708 20 0 FCADLP CCc1nnc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)o1 ZINC001210297506 854097139 /nfs/dbraw/zinc/09/71/39/854097139.db2.gz HQPAYCGTINWWJC-MGPQQGTHSA-N 2 2 353.467 0.708 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330107 854100432 /nfs/dbraw/zinc/10/04/32/854100432.db2.gz OMMHSGZYJQCEDN-HUUCEWRRSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330107 854100435 /nfs/dbraw/zinc/10/04/35/854100435.db2.gz OMMHSGZYJQCEDN-HUUCEWRRSA-N 2 2 350.507 0.681 20 0 FCADLP COc1nscc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210321539 854100470 /nfs/dbraw/zinc/10/04/70/854100470.db2.gz FXMPCKKQVLKAEU-TZMCWYRMSA-N 2 2 356.492 0.666 20 0 FCADLP COc1nscc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210321539 854100473 /nfs/dbraw/zinc/10/04/73/854100473.db2.gz FXMPCKKQVLKAEU-TZMCWYRMSA-N 2 2 356.492 0.666 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451882 854201017 /nfs/dbraw/zinc/20/10/17/854201017.db2.gz JSWJSBLESQQBSY-ZIAGYGMSSA-N 2 2 350.467 0.417 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451882 854201025 /nfs/dbraw/zinc/20/10/25/854201025.db2.gz JSWJSBLESQQBSY-ZIAGYGMSSA-N 2 2 350.467 0.417 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211450415 854201337 /nfs/dbraw/zinc/20/13/37/854201337.db2.gz YNERSYIRTWMUPZ-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211450415 854201347 /nfs/dbraw/zinc/20/13/47/854201347.db2.gz YNERSYIRTWMUPZ-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001212071464 854354044 /nfs/dbraw/zinc/35/40/44/854354044.db2.gz QZQIIOGZAYQLKO-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001212071464 854354053 /nfs/dbraw/zinc/35/40/53/854354053.db2.gz QZQIIOGZAYQLKO-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001212071464 854354061 /nfs/dbraw/zinc/35/40/61/854354061.db2.gz QZQIIOGZAYQLKO-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001212071464 854354070 /nfs/dbraw/zinc/35/40/70/854354070.db2.gz QZQIIOGZAYQLKO-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CO[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001212071642 854354454 /nfs/dbraw/zinc/35/44/54/854354454.db2.gz ZHNZJSKMPXUDBI-MCIONIFRSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001212071642 854354459 /nfs/dbraw/zinc/35/44/59/854354459.db2.gz ZHNZJSKMPXUDBI-MCIONIFRSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001212071642 854354464 /nfs/dbraw/zinc/35/44/64/854354464.db2.gz ZHNZJSKMPXUDBI-MCIONIFRSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCCCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001212071642 854354469 /nfs/dbraw/zinc/35/44/69/854354469.db2.gz ZHNZJSKMPXUDBI-MCIONIFRSA-N 2 2 367.412 0.865 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212385564 854459239 /nfs/dbraw/zinc/45/92/39/854459239.db2.gz OVRIPPYLHMBQJQ-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212385564 854459244 /nfs/dbraw/zinc/45/92/44/854459244.db2.gz OVRIPPYLHMBQJQ-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CC1 ZINC001212385564 854459245 /nfs/dbraw/zinc/45/92/45/854459245.db2.gz OVRIPPYLHMBQJQ-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CC1 ZINC001212385564 854459251 /nfs/dbraw/zinc/45/92/51/854459251.db2.gz OVRIPPYLHMBQJQ-BRWVUGGUSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212406363 854466013 /nfs/dbraw/zinc/46/60/13/854466013.db2.gz PPHOJJQOOHJDKY-MGPQQGTHSA-N 2 2 367.412 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212406363 854466016 /nfs/dbraw/zinc/46/60/16/854466016.db2.gz PPHOJJQOOHJDKY-MGPQQGTHSA-N 2 2 367.412 0.721 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419165 854470699 /nfs/dbraw/zinc/47/06/99/854470699.db2.gz VLGGKFUOLQIVKC-ZIAGYGMSSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212419165 854470700 /nfs/dbraw/zinc/47/07/00/854470700.db2.gz VLGGKFUOLQIVKC-ZIAGYGMSSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212419165 854470703 /nfs/dbraw/zinc/47/07/03/854470703.db2.gz VLGGKFUOLQIVKC-ZIAGYGMSSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212419165 854470704 /nfs/dbraw/zinc/47/07/04/854470704.db2.gz VLGGKFUOLQIVKC-ZIAGYGMSSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436924 854478197 /nfs/dbraw/zinc/47/81/97/854478197.db2.gz QZKQTYXMGAGUPO-OAGGEKHMSA-N 2 2 371.913 0.938 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436924 854478198 /nfs/dbraw/zinc/47/81/98/854478198.db2.gz QZKQTYXMGAGUPO-OAGGEKHMSA-N 2 2 371.913 0.938 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212496110 854501058 /nfs/dbraw/zinc/50/10/58/854501058.db2.gz ZICRTNAPABBDGH-DAXOMENPSA-N 2 2 354.451 0.326 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212496110 854501065 /nfs/dbraw/zinc/50/10/65/854501065.db2.gz ZICRTNAPABBDGH-DAXOMENPSA-N 2 2 354.451 0.326 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221570 854539302 /nfs/dbraw/zinc/53/93/02/854539302.db2.gz IUQZTLMSXGSTGC-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221570 854539306 /nfs/dbraw/zinc/53/93/06/854539306.db2.gz IUQZTLMSXGSTGC-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340004 854581694 /nfs/dbraw/zinc/58/16/94/854581694.db2.gz KYILJMKMLNZSHH-HZPDHXFCSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340004 854581699 /nfs/dbraw/zinc/58/16/99/854581699.db2.gz KYILJMKMLNZSHH-HZPDHXFCSA-N 2 2 350.463 0.894 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213346562 854583367 /nfs/dbraw/zinc/58/33/67/854583367.db2.gz SKQGFSLIABJQRW-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213346562 854583376 /nfs/dbraw/zinc/58/33/76/854583376.db2.gz SKQGFSLIABJQRW-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346488 854583813 /nfs/dbraw/zinc/58/38/13/854583813.db2.gz PFGNUGKPQKGVNO-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346488 854583815 /nfs/dbraw/zinc/58/38/15/854583815.db2.gz PFGNUGKPQKGVNO-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369609 854591512 /nfs/dbraw/zinc/59/15/12/854591512.db2.gz YQVKNEOWRHPVQX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369609 854591522 /nfs/dbraw/zinc/59/15/22/854591522.db2.gz YQVKNEOWRHPVQX-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213434784 854614166 /nfs/dbraw/zinc/61/41/66/854614166.db2.gz LCMHLLVYRXBMIX-IXDOHACOSA-N 2 2 351.495 0.856 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001213440011 854616920 /nfs/dbraw/zinc/61/69/20/854616920.db2.gz FEUSBEBQQBEEPL-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001213440011 854616921 /nfs/dbraw/zinc/61/69/21/854616921.db2.gz FEUSBEBQQBEEPL-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001213440011 854616923 /nfs/dbraw/zinc/61/69/23/854616923.db2.gz FEUSBEBQQBEEPL-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001213440011 854616925 /nfs/dbraw/zinc/61/69/25/854616925.db2.gz FEUSBEBQQBEEPL-MGPQQGTHSA-N 2 2 367.412 0.865 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213596923 854679332 /nfs/dbraw/zinc/67/93/32/854679332.db2.gz QQACEFXIXAUGGW-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213596923 854679339 /nfs/dbraw/zinc/67/93/39/854679339.db2.gz QQACEFXIXAUGGW-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213672045 854709601 /nfs/dbraw/zinc/70/96/01/854709601.db2.gz ZPCFZABREYNIAY-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213672045 854709611 /nfs/dbraw/zinc/70/96/11/854709611.db2.gz ZPCFZABREYNIAY-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213672045 854709615 /nfs/dbraw/zinc/70/96/15/854709615.db2.gz ZPCFZABREYNIAY-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001213672045 854709620 /nfs/dbraw/zinc/70/96/20/854709620.db2.gz ZPCFZABREYNIAY-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213676167 854712511 /nfs/dbraw/zinc/71/25/11/854712511.db2.gz SYHSPKAHOXTXPU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213676167 854712513 /nfs/dbraw/zinc/71/25/13/854712513.db2.gz SYHSPKAHOXTXPU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213676167 854712516 /nfs/dbraw/zinc/71/25/16/854712516.db2.gz SYHSPKAHOXTXPU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213676167 854712519 /nfs/dbraw/zinc/71/25/19/854712519.db2.gz SYHSPKAHOXTXPU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001213712918 854730612 /nfs/dbraw/zinc/73/06/12/854730612.db2.gz HINXXKKFFIKDER-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001213712918 854730618 /nfs/dbraw/zinc/73/06/18/854730618.db2.gz HINXXKKFFIKDER-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759533 854754872 /nfs/dbraw/zinc/75/48/72/854754872.db2.gz PRWBDEKTDOEFEM-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759533 854754876 /nfs/dbraw/zinc/75/48/76/854754876.db2.gz PRWBDEKTDOEFEM-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759533 854754886 /nfs/dbraw/zinc/75/48/86/854754886.db2.gz PRWBDEKTDOEFEM-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213763123 854757278 /nfs/dbraw/zinc/75/72/78/854757278.db2.gz ATAKFMAGYKIELJ-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213763123 854757281 /nfs/dbraw/zinc/75/72/81/854757281.db2.gz ATAKFMAGYKIELJ-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213763123 854757282 /nfs/dbraw/zinc/75/72/82/854757282.db2.gz ATAKFMAGYKIELJ-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213763123 854757286 /nfs/dbraw/zinc/75/72/86/854757286.db2.gz ATAKFMAGYKIELJ-HZPDHXFCSA-N 2 2 356.511 0.450 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)CC)C[C@H]1OC ZINC001213763197 854757590 /nfs/dbraw/zinc/75/75/90/854757590.db2.gz GQYSJGFYLCFYSU-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)CC)C[C@H]1OC ZINC001213763197 854757591 /nfs/dbraw/zinc/75/75/91/854757591.db2.gz GQYSJGFYLCFYSU-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)CC)C[C@H]1OC ZINC001213763197 854757593 /nfs/dbraw/zinc/75/75/93/854757593.db2.gz GQYSJGFYLCFYSU-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)CC)C[C@H]1OC ZINC001213763197 854757594 /nfs/dbraw/zinc/75/75/94/854757594.db2.gz GQYSJGFYLCFYSU-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213769108 854760172 /nfs/dbraw/zinc/76/01/72/854760172.db2.gz IUVBGAJSZRAHES-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213769108 854760178 /nfs/dbraw/zinc/76/01/78/854760178.db2.gz IUVBGAJSZRAHES-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213769108 854760183 /nfs/dbraw/zinc/76/01/83/854760183.db2.gz IUVBGAJSZRAHES-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213769108 854760186 /nfs/dbraw/zinc/76/01/86/854760186.db2.gz IUVBGAJSZRAHES-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531352 854964144 /nfs/dbraw/zinc/96/41/44/854964144.db2.gz ZQGXYKJRLHWIGJ-ZIAGYGMSSA-N 2 2 356.492 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215681303 855135623 /nfs/dbraw/zinc/13/56/23/855135623.db2.gz UVGANWANZZBIHR-TZMCWYRMSA-N 2 2 350.467 0.486 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001216065990 855167987 /nfs/dbraw/zinc/16/79/87/855167987.db2.gz WOFNYQOLYWLKQB-OUAUKWLOSA-N 2 2 361.368 0.456 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001216226237 855180454 /nfs/dbraw/zinc/18/04/54/855180454.db2.gz OTZMPJAPUYVSRY-ZIAGYGMSSA-N 2 2 351.499 0.706 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001216226237 855180458 /nfs/dbraw/zinc/18/04/58/855180458.db2.gz OTZMPJAPUYVSRY-ZIAGYGMSSA-N 2 2 351.499 0.706 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216387588 855197553 /nfs/dbraw/zinc/19/75/53/855197553.db2.gz HIPSYIOVTLZEAC-UKRRQHHQSA-N 2 2 350.467 0.107 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001216566301 855212539 /nfs/dbraw/zinc/21/25/39/855212539.db2.gz XQTMHBOSNNWWOW-IUODEOHRSA-N 2 2 350.467 0.405 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CCOCCO ZINC001216858902 855262899 /nfs/dbraw/zinc/26/28/99/855262899.db2.gz DJFIBNBJBFDPPC-OIISXLGYSA-N 2 2 350.463 0.130 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001216993422 855274225 /nfs/dbraw/zinc/27/42/25/855274225.db2.gz DZAIOZHPALWRRD-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21)C1CCC1 ZINC001218110176 855398527 /nfs/dbraw/zinc/39/85/27/855398527.db2.gz ZBCVODFVUURYOQ-LSDHHAIUSA-N 2 2 361.433 0.664 20 0 FCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21)C1CCC1 ZINC001218110176 855398531 /nfs/dbraw/zinc/39/85/31/855398531.db2.gz ZBCVODFVUURYOQ-LSDHHAIUSA-N 2 2 361.433 0.664 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21)C1CCC1 ZINC001218110176 855398536 /nfs/dbraw/zinc/39/85/36/855398536.db2.gz ZBCVODFVUURYOQ-LSDHHAIUSA-N 2 2 361.433 0.664 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21)C1CCC1 ZINC001218110176 855398546 /nfs/dbraw/zinc/39/85/46/855398546.db2.gz ZBCVODFVUURYOQ-LSDHHAIUSA-N 2 2 361.433 0.664 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524552 855434451 /nfs/dbraw/zinc/43/44/51/855434451.db2.gz ZFSOLBWOKDWQHC-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524552 855434460 /nfs/dbraw/zinc/43/44/60/855434460.db2.gz ZFSOLBWOKDWQHC-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524552 855434467 /nfs/dbraw/zinc/43/44/67/855434467.db2.gz ZFSOLBWOKDWQHC-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524552 855434471 /nfs/dbraw/zinc/43/44/71/855434471.db2.gz ZFSOLBWOKDWQHC-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CCN(CC)c1nc(Br)cnc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218574161 855442699 /nfs/dbraw/zinc/44/26/99/855442699.db2.gz XHGFOWXSSSDBOR-IUCAKERBSA-N 2 2 357.256 0.571 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646519 855457699 /nfs/dbraw/zinc/45/76/99/855457699.db2.gz SQPYIWGNSXHVNV-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646519 855457703 /nfs/dbraw/zinc/45/77/03/855457703.db2.gz SQPYIWGNSXHVNV-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646519 855457705 /nfs/dbraw/zinc/45/77/05/855457705.db2.gz SQPYIWGNSXHVNV-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646519 855457706 /nfs/dbraw/zinc/45/77/06/855457706.db2.gz SQPYIWGNSXHVNV-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)(C)N(C(=O)[C@@H]([NH3+])CSCC[NH3+])S(=O)(=O)c1cccc(N)c1 ZINC001218847140 855485771 /nfs/dbraw/zinc/48/57/71/855485771.db2.gz BWFWQDLDCWYXKS-ZDUSSCGKSA-N 2 2 374.532 0.604 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])COC(C)=O)cc2F)CC1 ZINC001218890729 855492032 /nfs/dbraw/zinc/49/20/32/855492032.db2.gz TYBPQEPFBWGUCT-HNNXBMFYSA-N 2 2 352.410 0.797 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218965177 855503608 /nfs/dbraw/zinc/50/36/08/855503608.db2.gz FXPQYPICJADTEM-DLBZAZTESA-N 2 2 350.463 0.691 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218965177 855503613 /nfs/dbraw/zinc/50/36/13/855503613.db2.gz FXPQYPICJADTEM-DLBZAZTESA-N 2 2 350.463 0.691 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055065 855529512 /nfs/dbraw/zinc/52/95/12/855529512.db2.gz USPKHNHADXLHEG-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055065 855529520 /nfs/dbraw/zinc/52/95/20/855529520.db2.gz USPKHNHADXLHEG-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219055065 855529527 /nfs/dbraw/zinc/52/95/27/855529527.db2.gz USPKHNHADXLHEG-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219055065 855529533 /nfs/dbraw/zinc/52/95/33/855529533.db2.gz USPKHNHADXLHEG-JKSUJKDBSA-N 2 2 354.495 0.107 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067262 855535000 /nfs/dbraw/zinc/53/50/00/855535000.db2.gz NRRCUQPARWDCNR-DLBZAZTESA-N 2 2 350.463 1.000 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067262 855535004 /nfs/dbraw/zinc/53/50/04/855535004.db2.gz NRRCUQPARWDCNR-DLBZAZTESA-N 2 2 350.463 1.000 20 0 FCADLP COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(OC)c(OC(C)=O)c1 ZINC001219166480 855569150 /nfs/dbraw/zinc/56/91/50/855569150.db2.gz VSYXPCPUFBUNBX-JQWIXIFHSA-N 2 2 351.359 0.035 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[NH2+]CC[C@@H]1O ZINC001219454777 855676495 /nfs/dbraw/zinc/67/64/95/855676495.db2.gz YHYHQXWMXBXVIK-QLFBSQMISA-N 2 2 355.385 0.972 20 0 FCADLP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219460209 855679014 /nfs/dbraw/zinc/67/90/14/855679014.db2.gz QCWMNMJAONBIQZ-HUUCEWRRSA-N 2 2 354.401 0.905 20 0 FCADLP COC(=O)NC(=S)N(C(=O)C[NH2+]C1CC[NH2+]CC1)c1ccccc1N ZINC001219550058 855709716 /nfs/dbraw/zinc/70/97/16/855709716.db2.gz LWCFJSDQJPIEIM-UHFFFAOYSA-N 2 2 365.459 0.584 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001219731883 855790079 /nfs/dbraw/zinc/79/00/79/855790079.db2.gz JADWVJCNOQNESC-ZNMIVQPWSA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001219731883 855790084 /nfs/dbraw/zinc/79/00/84/855790084.db2.gz JADWVJCNOQNESC-ZNMIVQPWSA-N 2 2 356.442 0.633 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908913 855875313 /nfs/dbraw/zinc/87/53/13/855875313.db2.gz VVLRBAQNHNRCNO-OIISXLGYSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908913 855875316 /nfs/dbraw/zinc/87/53/16/855875316.db2.gz VVLRBAQNHNRCNO-OIISXLGYSA-N 2 2 350.463 0.422 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219944170 855891136 /nfs/dbraw/zinc/89/11/36/855891136.db2.gz RWGFWDUJFXPORA-UPJWGTAASA-N 2 2 365.396 0.089 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219944170 855891146 /nfs/dbraw/zinc/89/11/46/855891146.db2.gz RWGFWDUJFXPORA-UPJWGTAASA-N 2 2 365.396 0.089 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017776 855920037 /nfs/dbraw/zinc/92/00/37/855920037.db2.gz OTXXMMIDWHUPNS-WBVHZDCISA-N 2 2 350.463 0.350 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017776 855920047 /nfs/dbraw/zinc/92/00/47/855920047.db2.gz OTXXMMIDWHUPNS-WBVHZDCISA-N 2 2 350.463 0.350 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016358 855920326 /nfs/dbraw/zinc/92/03/26/855920326.db2.gz ROAZKJFCEULQAJ-LXZKKBNFSA-N 2 2 350.463 0.084 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016358 855920334 /nfs/dbraw/zinc/92/03/34/855920334.db2.gz ROAZKJFCEULQAJ-LXZKKBNFSA-N 2 2 350.463 0.084 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cs1 ZINC001220128557 855973851 /nfs/dbraw/zinc/97/38/51/855973851.db2.gz JLFQAMUQXQCFOB-CYBMUJFWSA-N 3 2 369.560 0.363 20 0 FCADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220185250 855998177 /nfs/dbraw/zinc/99/81/77/855998177.db2.gz DIBMGRWFZFDQAX-KBPBESRZSA-N 2 2 355.385 0.808 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216515 856014971 /nfs/dbraw/zinc/01/49/71/856014971.db2.gz MWJXGCUVXFVBFA-IKGGRYGDSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216515 856014982 /nfs/dbraw/zinc/01/49/82/856014982.db2.gz MWJXGCUVXFVBFA-IKGGRYGDSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216515 856014990 /nfs/dbraw/zinc/01/49/90/856014990.db2.gz MWJXGCUVXFVBFA-IKGGRYGDSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216515 856015001 /nfs/dbraw/zinc/01/50/01/856015001.db2.gz MWJXGCUVXFVBFA-IKGGRYGDSA-N 2 2 357.495 0.074 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224319 856019570 /nfs/dbraw/zinc/01/95/70/856019570.db2.gz IPWRUVNPTGJULB-CVEARBPZSA-N 2 2 353.463 0.789 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224319 856019580 /nfs/dbraw/zinc/01/95/80/856019580.db2.gz IPWRUVNPTGJULB-CVEARBPZSA-N 2 2 353.463 0.789 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224224 856020088 /nfs/dbraw/zinc/02/00/88/856020088.db2.gz DPLGSRXXCHUCIJ-CVEARBPZSA-N 2 2 353.463 0.931 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224224 856020102 /nfs/dbraw/zinc/02/01/02/856020102.db2.gz DPLGSRXXCHUCIJ-CVEARBPZSA-N 2 2 353.463 0.931 20 0 FCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220258650 856033704 /nfs/dbraw/zinc/03/37/04/856033704.db2.gz OKOORTXHNZFYJO-GWCFXTLKSA-N 2 2 369.491 0.378 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220336106 856071187 /nfs/dbraw/zinc/07/11/87/856071187.db2.gz GQAGPGBPLDCULO-MCIONIFRSA-N 2 2 369.428 0.847 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](CC)CC ZINC001220336106 856071190 /nfs/dbraw/zinc/07/11/90/856071190.db2.gz GQAGPGBPLDCULO-MCIONIFRSA-N 2 2 369.428 0.847 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369301 856089274 /nfs/dbraw/zinc/08/92/74/856089274.db2.gz FYFUHMWUACTMAD-KFWWJZLASA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369301 856089286 /nfs/dbraw/zinc/08/92/86/856089286.db2.gz FYFUHMWUACTMAD-KFWWJZLASA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369301 856089294 /nfs/dbraw/zinc/08/92/94/856089294.db2.gz FYFUHMWUACTMAD-KFWWJZLASA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369301 856089300 /nfs/dbraw/zinc/08/93/00/856089300.db2.gz FYFUHMWUACTMAD-KFWWJZLASA-N 2 2 356.511 0.040 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1O ZINC001220547996 856178727 /nfs/dbraw/zinc/17/87/27/856178727.db2.gz QVIFULUFNAFPEA-SJORKVTESA-N 2 2 352.479 0.806 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O ZINC001220547996 856178728 /nfs/dbraw/zinc/17/87/28/856178728.db2.gz QVIFULUFNAFPEA-SJORKVTESA-N 2 2 352.479 0.806 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220575008 856191045 /nfs/dbraw/zinc/19/10/45/856191045.db2.gz MTINPTFUEXSRSN-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220575008 856191057 /nfs/dbraw/zinc/19/10/57/856191057.db2.gz MTINPTFUEXSRSN-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220575340 856191500 /nfs/dbraw/zinc/19/15/00/856191500.db2.gz SRITVYFISYCKIQ-ZACQAIPSSA-N 2 2 353.438 0.362 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220575340 856191507 /nfs/dbraw/zinc/19/15/07/856191507.db2.gz SRITVYFISYCKIQ-ZACQAIPSSA-N 2 2 353.438 0.362 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCSC23CN(C(=O)C[NH+]2CCC2)C3)CC1 ZINC001279240368 862782202 /nfs/dbraw/zinc/78/22/02/862782202.db2.gz WNMGGGQQEUNXCJ-OAHLLOKOSA-N 2 2 366.531 0.237 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220888584 856358885 /nfs/dbraw/zinc/35/88/85/856358885.db2.gz QCKFQFPHZZFSKH-CFVMTHIKSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220888584 856358894 /nfs/dbraw/zinc/35/88/94/856358894.db2.gz QCKFQFPHZZFSKH-CFVMTHIKSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220888678 856359063 /nfs/dbraw/zinc/35/90/63/856359063.db2.gz SHRLTAPJKVOJGK-SJORKVTESA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220888678 856359074 /nfs/dbraw/zinc/35/90/74/856359074.db2.gz SHRLTAPJKVOJGK-SJORKVTESA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220888710 856360622 /nfs/dbraw/zinc/36/06/22/856360622.db2.gz UGJLSIHUIASXMC-ZACQAIPSSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220888710 856360632 /nfs/dbraw/zinc/36/06/32/856360632.db2.gz UGJLSIHUIASXMC-ZACQAIPSSA-N 2 2 350.463 0.473 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cs1 ZINC001220986148 856408891 /nfs/dbraw/zinc/40/88/91/856408891.db2.gz UQKQIJUUQFXOLL-XKQJLSEDSA-N 2 2 367.515 0.686 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cs1 ZINC001220986148 856408894 /nfs/dbraw/zinc/40/88/94/856408894.db2.gz UQKQIJUUQFXOLL-XKQJLSEDSA-N 2 2 367.515 0.686 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001221073244 856449046 /nfs/dbraw/zinc/44/90/46/856449046.db2.gz MFADXUCTDPEIJQ-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001221073244 856449049 /nfs/dbraw/zinc/44/90/49/856449049.db2.gz MFADXUCTDPEIJQ-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001221164235 856492784 /nfs/dbraw/zinc/49/27/84/856492784.db2.gz ABSHTPUJAHQGQE-NEPJUHHUSA-N 2 2 350.341 0.013 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001221164235 856492786 /nfs/dbraw/zinc/49/27/86/856492786.db2.gz ABSHTPUJAHQGQE-NEPJUHHUSA-N 2 2 350.341 0.013 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001221256822 856531609 /nfs/dbraw/zinc/53/16/09/856531609.db2.gz NJSCLEMEBALAAJ-OCCSQVGLSA-N 2 2 354.451 0.543 20 0 FCADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359047 856554793 /nfs/dbraw/zinc/55/47/93/856554793.db2.gz ZWVVZWUIHPAPLI-HZPDHXFCSA-N 3 2 352.523 0.724 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444930 856568676 /nfs/dbraw/zinc/56/86/76/856568676.db2.gz SZWQHUWLEXQMRL-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444930 856568679 /nfs/dbraw/zinc/56/86/79/856568679.db2.gz SZWQHUWLEXQMRL-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444930 856568683 /nfs/dbraw/zinc/56/86/83/856568683.db2.gz SZWQHUWLEXQMRL-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444930 856568687 /nfs/dbraw/zinc/56/86/87/856568687.db2.gz SZWQHUWLEXQMRL-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647892 856637682 /nfs/dbraw/zinc/63/76/82/856637682.db2.gz DDDLRJAVKMAPLM-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647892 856637684 /nfs/dbraw/zinc/63/76/84/856637684.db2.gz DDDLRJAVKMAPLM-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647892 856637691 /nfs/dbraw/zinc/63/76/91/856637691.db2.gz DDDLRJAVKMAPLM-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647892 856637693 /nfs/dbraw/zinc/63/76/93/856637693.db2.gz DDDLRJAVKMAPLM-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221692805 856655251 /nfs/dbraw/zinc/65/52/51/856655251.db2.gz MYONGUUWANFPLI-FVQBIDKESA-N 2 2 368.503 0.405 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221692805 856655253 /nfs/dbraw/zinc/65/52/53/856655253.db2.gz MYONGUUWANFPLI-FVQBIDKESA-N 2 2 368.503 0.405 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221788597 856684462 /nfs/dbraw/zinc/68/44/62/856684462.db2.gz XIULWVNESOCFOM-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001221788597 856684466 /nfs/dbraw/zinc/68/44/66/856684466.db2.gz XIULWVNESOCFOM-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001221811942 856694059 /nfs/dbraw/zinc/69/40/59/856694059.db2.gz PXXNDAZKTGAPKR-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001221811942 856694062 /nfs/dbraw/zinc/69/40/62/856694062.db2.gz PXXNDAZKTGAPKR-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813258 856695655 /nfs/dbraw/zinc/69/56/55/856695655.db2.gz CZAHXKGWWXSUOZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813258 856695659 /nfs/dbraw/zinc/69/56/59/856695659.db2.gz CZAHXKGWWXSUOZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813258 856695665 /nfs/dbraw/zinc/69/56/65/856695665.db2.gz CZAHXKGWWXSUOZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813258 856695673 /nfs/dbraw/zinc/69/56/73/856695673.db2.gz CZAHXKGWWXSUOZ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221878144 856719780 /nfs/dbraw/zinc/71/97/80/856719780.db2.gz CPDCVGGDTJMRRY-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221878144 856719783 /nfs/dbraw/zinc/71/97/83/856719783.db2.gz CPDCVGGDTJMRRY-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221878478 856721068 /nfs/dbraw/zinc/72/10/68/856721068.db2.gz VOZMNDGKLJUVCU-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221878478 856721076 /nfs/dbraw/zinc/72/10/76/856721076.db2.gz VOZMNDGKLJUVCU-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883819 856722525 /nfs/dbraw/zinc/72/25/25/856722525.db2.gz VNHCWXQSLDWMGK-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883819 856722530 /nfs/dbraw/zinc/72/25/30/856722530.db2.gz VNHCWXQSLDWMGK-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001221947076 856744176 /nfs/dbraw/zinc/74/41/76/856744176.db2.gz QOZGJWYNLRLIDO-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]21 ZINC001221947076 856744179 /nfs/dbraw/zinc/74/41/79/856744179.db2.gz QOZGJWYNLRLIDO-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013885 856768029 /nfs/dbraw/zinc/76/80/29/856768029.db2.gz NMGCSYULDWWUPM-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013885 856768037 /nfs/dbraw/zinc/76/80/37/856768037.db2.gz NMGCSYULDWWUPM-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013885 856768050 /nfs/dbraw/zinc/76/80/50/856768050.db2.gz NMGCSYULDWWUPM-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013885 856768054 /nfs/dbraw/zinc/76/80/54/856768054.db2.gz NMGCSYULDWWUPM-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001222054581 856789802 /nfs/dbraw/zinc/78/98/02/856789802.db2.gz YWSUAYYYQZDNTK-USXIJHARSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001222054581 856789806 /nfs/dbraw/zinc/78/98/06/856789806.db2.gz YWSUAYYYQZDNTK-USXIJHARSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001222054581 856789815 /nfs/dbraw/zinc/78/98/15/856789815.db2.gz YWSUAYYYQZDNTK-USXIJHARSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001222054581 856789821 /nfs/dbraw/zinc/78/98/21/856789821.db2.gz YWSUAYYYQZDNTK-USXIJHARSA-N 2 2 350.507 0.774 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093470 856798494 /nfs/dbraw/zinc/79/84/94/856798494.db2.gz CBLGABXAIAHIEN-IAGOWNOFSA-N 2 2 350.463 0.859 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222093470 856798500 /nfs/dbraw/zinc/79/85/00/856798500.db2.gz CBLGABXAIAHIEN-IAGOWNOFSA-N 2 2 350.463 0.859 20 0 FCADLP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001227901333 857183470 /nfs/dbraw/zinc/18/34/70/857183470.db2.gz XKPSFHSZPGYMCQ-HUUCEWRRSA-N 2 2 359.536 0.922 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953776 857186190 /nfs/dbraw/zinc/18/61/90/857186190.db2.gz KGRLQZPLVDXDHS-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953776 857186193 /nfs/dbraw/zinc/18/61/93/857186193.db2.gz KGRLQZPLVDXDHS-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801418 857229924 /nfs/dbraw/zinc/22/99/24/857229924.db2.gz ZEOICTKTWSJDEV-HUUCEWRRSA-N 2 2 371.507 0.299 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)n1cc[nH+]c1 ZINC001228836007 857231989 /nfs/dbraw/zinc/23/19/89/857231989.db2.gz MDNYBBRNDWGEKY-RBSFLKMASA-N 2 2 371.507 0.400 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1 ZINC001230152412 857308278 /nfs/dbraw/zinc/30/82/78/857308278.db2.gz KZWOLLORBNWTIP-FVQBIDKESA-N 2 2 351.451 0.555 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cnsc3)CC2)C1=O ZINC001232224842 857369822 /nfs/dbraw/zinc/36/98/22/857369822.db2.gz PBIMJYYHWNRHPW-UHFFFAOYSA-N 2 2 351.520 0.813 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cnsc3)CC2)C1=O ZINC001232224842 857369826 /nfs/dbraw/zinc/36/98/26/857369826.db2.gz PBIMJYYHWNRHPW-UHFFFAOYSA-N 2 2 351.520 0.813 20 0 FCADLP Cc1nnc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)s1 ZINC001232244862 857370345 /nfs/dbraw/zinc/37/03/45/857370345.db2.gz VDUNUMGOABZYMZ-UHFFFAOYSA-N 2 2 367.519 0.849 20 0 FCADLP Cc1nnc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)s1 ZINC001232244862 857370353 /nfs/dbraw/zinc/37/03/53/857370353.db2.gz VDUNUMGOABZYMZ-UHFFFAOYSA-N 2 2 367.519 0.849 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1c[nH]c2ncc(Cl)cc12 ZINC001236309251 857437660 /nfs/dbraw/zinc/43/76/60/857437660.db2.gz KVVTUNXKARYUQE-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1c[nH]c2ncc(Cl)cc12 ZINC001236309251 857437668 /nfs/dbraw/zinc/43/76/68/857437668.db2.gz KVVTUNXKARYUQE-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1c[nH]c2nc(Cl)ccc12 ZINC001236310847 857438934 /nfs/dbraw/zinc/43/89/34/857438934.db2.gz MKEJPJAJGQOQDU-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1c[nH]c2nc(Cl)ccc12 ZINC001236310847 857438937 /nfs/dbraw/zinc/43/89/37/857438937.db2.gz MKEJPJAJGQOQDU-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP CCOc1ccc(Br)cc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238840045 857483491 /nfs/dbraw/zinc/48/34/91/857483491.db2.gz ZIQIXIQWLQUQLH-UHFFFAOYSA-N 2 2 366.281 0.674 20 0 FCADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001245984906 857562625 /nfs/dbraw/zinc/56/26/25/857562625.db2.gz KDWTYIOYOUPVKE-WUJZJPHMSA-N 3 2 353.507 0.935 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517074 862931630 /nfs/dbraw/zinc/93/16/30/862931630.db2.gz HQSOYAMYDHZUQP-AEFFLSMTSA-N 2 2 350.463 0.859 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246777582 857599725 /nfs/dbraw/zinc/59/97/25/857599725.db2.gz NMLHALYLVQRHFH-INIZCTEOSA-N 2 2 364.515 0.395 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517074 862931622 /nfs/dbraw/zinc/93/16/22/862931622.db2.gz HQSOYAMYDHZUQP-AEFFLSMTSA-N 2 2 350.463 0.859 20 0 FCADLP CCOC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007261 857609084 /nfs/dbraw/zinc/60/90/84/857609084.db2.gz KBJZTCVMWSVUGH-DEYYWGMASA-N 2 2 353.463 0.145 20 0 FCADLP CC(C)CN1CC[N@H+](C)C2(CCN(C(=S)NCC[NH+](C)C)CC2)C1=O ZINC001249832140 857649330 /nfs/dbraw/zinc/64/93/30/857649330.db2.gz BBDIWZZWHHPTSV-UHFFFAOYSA-N 2 2 369.579 0.687 20 0 FCADLP CC(C)CN1CC[N@@H+](C)C2(CCN(C(=S)NCC[NH+](C)C)CC2)C1=O ZINC001249832140 857649343 /nfs/dbraw/zinc/64/93/43/857649343.db2.gz BBDIWZZWHHPTSV-UHFFFAOYSA-N 2 2 369.579 0.687 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001249833897 857651493 /nfs/dbraw/zinc/65/14/93/857651493.db2.gz LVVGBOMMZNTJLJ-UHFFFAOYSA-N 2 2 353.540 0.760 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=S)NCC[NH+](C)C)C2 ZINC001249833897 857651496 /nfs/dbraw/zinc/65/14/96/857651496.db2.gz LVVGBOMMZNTJLJ-UHFFFAOYSA-N 2 2 353.540 0.760 20 0 FCADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014044 857680304 /nfs/dbraw/zinc/68/03/04/857680304.db2.gz MWRJXXMYJPFZLF-RBUKOAKNSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014044 857680308 /nfs/dbraw/zinc/68/03/08/857680308.db2.gz MWRJXXMYJPFZLF-RBUKOAKNSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014044 857680313 /nfs/dbraw/zinc/68/03/13/857680313.db2.gz MWRJXXMYJPFZLF-RBUKOAKNSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014044 857680318 /nfs/dbraw/zinc/68/03/18/857680318.db2.gz MWRJXXMYJPFZLF-RBUKOAKNSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001251015695 857682033 /nfs/dbraw/zinc/68/20/33/857682033.db2.gz UARNZIQXIJYELC-OAHLLOKOSA-N 2 2 351.495 0.301 20 0 FCADLP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001251015695 857682037 /nfs/dbraw/zinc/68/20/37/857682037.db2.gz UARNZIQXIJYELC-OAHLLOKOSA-N 2 2 351.495 0.301 20 0 FCADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252417827 857801425 /nfs/dbraw/zinc/80/14/25/857801425.db2.gz NHXDDRDPAAYWQY-QZWWFDLISA-N 2 2 350.463 0.590 20 0 FCADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001252417827 857801437 /nfs/dbraw/zinc/80/14/37/857801437.db2.gz NHXDDRDPAAYWQY-QZWWFDLISA-N 2 2 350.463 0.590 20 0 FCADLP COC(=O)[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001252417827 857801448 /nfs/dbraw/zinc/80/14/48/857801448.db2.gz NHXDDRDPAAYWQY-QZWWFDLISA-N 2 2 350.463 0.590 20 0 FCADLP COC(=O)[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001252417827 857801457 /nfs/dbraw/zinc/80/14/57/857801457.db2.gz NHXDDRDPAAYWQY-QZWWFDLISA-N 2 2 350.463 0.590 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001253186428 857870307 /nfs/dbraw/zinc/87/03/07/857870307.db2.gz OQBFCYSXJXBKDL-SJORKVTESA-N 2 2 353.507 0.650 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001253388883 857885420 /nfs/dbraw/zinc/88/54/20/857885420.db2.gz PNXRMEBDJMNKFQ-LTIDMASMSA-N 2 2 353.507 0.741 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001253388883 857885422 /nfs/dbraw/zinc/88/54/22/857885422.db2.gz PNXRMEBDJMNKFQ-LTIDMASMSA-N 2 2 353.507 0.741 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@@H]3CCCN(C)C3)CC2)C1 ZINC001255485470 858015322 /nfs/dbraw/zinc/01/53/22/858015322.db2.gz PMKCLJNGBSLQHO-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@@H]3CCCN(C)C3)CC2)C1 ZINC001255485470 858015326 /nfs/dbraw/zinc/01/53/26/858015326.db2.gz PMKCLJNGBSLQHO-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001255608464 858023780 /nfs/dbraw/zinc/02/37/80/858023780.db2.gz NVYWKASXCOLHCK-OAGGEKHMSA-N 2 2 374.551 0.477 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001255608464 858023783 /nfs/dbraw/zinc/02/37/83/858023783.db2.gz NVYWKASXCOLHCK-OAGGEKHMSA-N 2 2 374.551 0.477 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256624330 858093211 /nfs/dbraw/zinc/09/32/11/858093211.db2.gz UDAQHIQXXNSNGY-ZXKJWYPDSA-N 2 2 351.491 0.948 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256624330 858093218 /nfs/dbraw/zinc/09/32/18/858093218.db2.gz UDAQHIQXXNSNGY-ZXKJWYPDSA-N 2 2 351.491 0.948 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256624330 858093227 /nfs/dbraw/zinc/09/32/27/858093227.db2.gz UDAQHIQXXNSNGY-ZXKJWYPDSA-N 2 2 351.491 0.948 20 0 FCADLP CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256624330 858093232 /nfs/dbraw/zinc/09/32/32/858093232.db2.gz UDAQHIQXXNSNGY-ZXKJWYPDSA-N 2 2 351.491 0.948 20 0 FCADLP CSC1(CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC[NH+](C)CC1 ZINC001263764508 859207200 /nfs/dbraw/zinc/20/72/00/859207200.db2.gz LFVNSJYQBUFIGB-LSDHHAIUSA-N 2 2 357.568 0.747 20 0 FCADLP CSC1(CNC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC[NH+](C)CC1 ZINC001263764508 859207210 /nfs/dbraw/zinc/20/72/10/859207210.db2.gz LFVNSJYQBUFIGB-LSDHHAIUSA-N 2 2 357.568 0.747 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CO)n3cc[nH+]c3)[C@@H]2C1 ZINC001272468334 860161213 /nfs/dbraw/zinc/16/12/13/860161213.db2.gz YAXFXQIKKQCHSP-RRFJBIMHSA-N 2 2 361.471 0.914 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CO)n3cc[nH+]c3)[C@@H]2C1 ZINC001272468334 860161219 /nfs/dbraw/zinc/16/12/19/860161219.db2.gz YAXFXQIKKQCHSP-RRFJBIMHSA-N 2 2 361.471 0.914 20 0 FCADLP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@H+](C)CCO3)(C1)CCC2 ZINC001273216250 860411760 /nfs/dbraw/zinc/41/17/60/860411760.db2.gz GFVUBWDGUWGHOK-BPQIPLTHSA-N 2 2 355.479 0.489 20 0 FCADLP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@@H+](C)CCO3)(C1)CCC2 ZINC001273216250 860411766 /nfs/dbraw/zinc/41/17/66/860411766.db2.gz GFVUBWDGUWGHOK-BPQIPLTHSA-N 2 2 355.479 0.489 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(N)ncnc1Cl)CC2 ZINC001275579347 861133633 /nfs/dbraw/zinc/13/36/33/861133633.db2.gz RKKNPZSTQBRDFM-CYBMUJFWSA-N 2 2 366.897 0.992 20 0 FCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001280053041 863220639 /nfs/dbraw/zinc/22/06/39/863220639.db2.gz LJDQHNGGINLOMU-OAHLLOKOSA-N 2 2 355.479 0.441 20 0 FCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001280053041 863220653 /nfs/dbraw/zinc/22/06/53/863220653.db2.gz LJDQHNGGINLOMU-OAHLLOKOSA-N 2 2 355.479 0.441 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280057920 863228936 /nfs/dbraw/zinc/22/89/36/863228936.db2.gz KVDCHQFZYUWRIL-INIZCTEOSA-N 2 2 369.531 0.440 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280057920 863228948 /nfs/dbraw/zinc/22/89/48/863228948.db2.gz KVDCHQFZYUWRIL-INIZCTEOSA-N 2 2 369.531 0.440 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC3(C2)CC[NH+](C2CC[NH+](C)CC2)CC3)c1 ZINC001280071791 863241711 /nfs/dbraw/zinc/24/17/11/863241711.db2.gz YFPZGVXXRYLYAV-UHFFFAOYSA-N 2 2 367.519 0.601 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCNC(=O)COC)CC2)CC1 ZINC001299522179 866181079 /nfs/dbraw/zinc/18/10/79/866181079.db2.gz ZGLTZFZSBQXFQW-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCNC(=O)COC)CC2)CC1 ZINC001299522179 866181087 /nfs/dbraw/zinc/18/10/87/866181087.db2.gz ZGLTZFZSBQXFQW-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)[nH]n1 ZINC001349410171 866332701 /nfs/dbraw/zinc/33/27/01/866332701.db2.gz PGBBDAXJDBUCLZ-UHFFFAOYSA-N 2 2 351.451 0.668 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648264 866403764 /nfs/dbraw/zinc/40/37/64/866403764.db2.gz ILKFALMKNYMSCW-QZTJIDSGSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648264 866403772 /nfs/dbraw/zinc/40/37/72/866403772.db2.gz ILKFALMKNYMSCW-QZTJIDSGSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001349648264 866403780 /nfs/dbraw/zinc/40/37/80/866403780.db2.gz ILKFALMKNYMSCW-QZTJIDSGSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001349648264 866403785 /nfs/dbraw/zinc/40/37/85/866403785.db2.gz ILKFALMKNYMSCW-QZTJIDSGSA-N 2 2 367.515 0.624 20 0 FCADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001308866930 866721439 /nfs/dbraw/zinc/72/14/39/866721439.db2.gz WKCPYEUSNPAARE-ZDUSSCGKSA-N 2 2 360.524 0.166 20 0 FCADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001308866930 866721442 /nfs/dbraw/zinc/72/14/42/866721442.db2.gz WKCPYEUSNPAARE-ZDUSSCGKSA-N 2 2 360.524 0.166 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001353340029 867401059 /nfs/dbraw/zinc/40/10/59/867401059.db2.gz MGWZHIANGWVOSD-ZIAGYGMSSA-N 2 2 360.524 0.040 20 0 FCADLP CSCC[C@H]([NH3+])CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001353547970 867445905 /nfs/dbraw/zinc/44/59/05/867445905.db2.gz FRXHNDBHMJOETN-LBPRGKRZSA-N 2 2 351.538 0.082 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSc3cccc[n+]3[O-])C2)CC1 ZINC001318429315 867664326 /nfs/dbraw/zinc/66/43/26/867664326.db2.gz YOYYOIBKZSIZRF-CQSZACIVSA-N 2 2 350.488 0.697 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSc3cccc[n+]3[O-])C2)CC1 ZINC001318429315 867664331 /nfs/dbraw/zinc/66/43/31/867664331.db2.gz YOYYOIBKZSIZRF-CQSZACIVSA-N 2 2 350.488 0.697 20 0 FCADLP C[C@H](CCS(C)(=O)=O)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001319158268 867841810 /nfs/dbraw/zinc/84/18/10/867841810.db2.gz UMYORVMZKCXPNZ-CQSZACIVSA-N 2 2 374.551 0.667 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H](CF)C1 ZINC001356223037 867959493 /nfs/dbraw/zinc/95/94/93/867959493.db2.gz AZWBPVHDVMVMSD-OAHLLOKOSA-N 2 2 356.486 0.679 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H](CF)C1 ZINC001356223037 867959499 /nfs/dbraw/zinc/95/94/99/867959499.db2.gz AZWBPVHDVMVMSD-OAHLLOKOSA-N 2 2 356.486 0.679 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001319998912 868054861 /nfs/dbraw/zinc/05/48/61/868054861.db2.gz ICYKCEPRVCFKMV-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NCc2ccco2)CC[N@H+]1C ZINC001319998912 868054875 /nfs/dbraw/zinc/05/48/75/868054875.db2.gz ICYKCEPRVCFKMV-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCc2ccco2)CC[NH+]1C ZINC001319998912 868054887 /nfs/dbraw/zinc/05/48/87/868054887.db2.gz ICYKCEPRVCFKMV-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCc2ccco2)CC[NH+]1C ZINC001319998912 868054899 /nfs/dbraw/zinc/05/48/99/868054899.db2.gz ICYKCEPRVCFKMV-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001357209249 868087348 /nfs/dbraw/zinc/08/73/48/868087348.db2.gz FWNGDRRUMJVNPK-BZSNNMDCSA-N 3 2 354.539 0.610 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001357669104 868144587 /nfs/dbraw/zinc/14/45/87/868144587.db2.gz VTSJUCADDZNYRS-HNNXBMFYSA-N 2 2 360.524 0.327 20 0 FCADLP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001357937998 868164831 /nfs/dbraw/zinc/16/48/31/868164831.db2.gz HNYQJVCYCNJVNU-GWCFXTLKSA-N 2 2 358.236 0.562 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC001322812190 868955818 /nfs/dbraw/zinc/95/58/18/868955818.db2.gz RTRQVOJFYKMVJZ-CQSZACIVSA-N 2 2 364.515 0.633 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC001322812190 868955827 /nfs/dbraw/zinc/95/58/27/868955827.db2.gz RTRQVOJFYKMVJZ-CQSZACIVSA-N 2 2 364.515 0.633 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324609407 869633721 /nfs/dbraw/zinc/63/37/21/869633721.db2.gz YVPJMQHLSAZXNF-HOCLYGCPSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324609407 869633729 /nfs/dbraw/zinc/63/37/29/869633729.db2.gz YVPJMQHLSAZXNF-HOCLYGCPSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H]1CC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326294202 870244853 /nfs/dbraw/zinc/24/48/53/870244853.db2.gz MHULRZHBUSTSKF-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326294202 870244861 /nfs/dbraw/zinc/24/48/61/870244861.db2.gz MHULRZHBUSTSKF-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383495 871399907 /nfs/dbraw/zinc/39/99/07/871399907.db2.gz BOPQQOAIIPZKOB-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001328383495 871399929 /nfs/dbraw/zinc/39/99/29/871399929.db2.gz BOPQQOAIIPZKOB-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP COC(=O)CCCCCS(=O)(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001328399720 871408403 /nfs/dbraw/zinc/40/84/03/871408403.db2.gz IQFRIHXEGUHSSO-HNNXBMFYSA-N 2 2 361.508 0.547 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001328490201 871459537 /nfs/dbraw/zinc/45/95/37/871459537.db2.gz LBNDEFMWLGOFMP-CHWSQXEVSA-N 3 2 350.467 0.344 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001328490201 871459547 /nfs/dbraw/zinc/45/95/47/871459547.db2.gz LBNDEFMWLGOFMP-CHWSQXEVSA-N 3 2 350.467 0.344 20 0 FCADLP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328923948 871716215 /nfs/dbraw/zinc/71/62/15/871716215.db2.gz WBMRUWDCWYEQLE-HUUCEWRRSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C[C@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328923948 871716226 /nfs/dbraw/zinc/71/62/26/871716226.db2.gz WBMRUWDCWYEQLE-HUUCEWRRSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC001346289761 871753286 /nfs/dbraw/zinc/75/32/86/871753286.db2.gz ZMTSXGJOTWGIBE-HRCADAONSA-N 2 2 354.495 0.554 20 0 FCADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)S(C)(=O)=O ZINC001346289673 871754058 /nfs/dbraw/zinc/75/40/58/871754058.db2.gz XOPWDJLWFCVVTF-ZBFHGGJFSA-N 2 2 355.504 0.298 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC001346521496 871881514 /nfs/dbraw/zinc/88/15/14/871881514.db2.gz YAGMPDRWSQJGPW-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC001346570178 871911424 /nfs/dbraw/zinc/91/14/24/871911424.db2.gz PMVMTCWQLWGKOX-SJORKVTESA-N 3 2 353.511 0.337 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346761053 871985285 /nfs/dbraw/zinc/98/52/85/871985285.db2.gz DOKTURDOJLXMAH-HNNXBMFYSA-N 2 2 354.495 0.807 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346761053 871985296 /nfs/dbraw/zinc/98/52/96/871985296.db2.gz DOKTURDOJLXMAH-HNNXBMFYSA-N 2 2 354.495 0.807 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765763 871988942 /nfs/dbraw/zinc/98/89/42/871988942.db2.gz CFYUKZRNBMEMQA-TWMKSMIVSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765763 871988953 /nfs/dbraw/zinc/98/89/53/871988953.db2.gz CFYUKZRNBMEMQA-TWMKSMIVSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1C ZINC001346765763 871988988 /nfs/dbraw/zinc/98/89/88/871988988.db2.gz CFYUKZRNBMEMQA-TWMKSMIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001346778996 871998015 /nfs/dbraw/zinc/99/80/15/871998015.db2.gz RPCNPZQTWDXTEW-BBWFWOEESA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346778996 871998023 /nfs/dbraw/zinc/99/80/23/871998023.db2.gz RPCNPZQTWDXTEW-BBWFWOEESA-N 2 2 353.511 0.127 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C[C@H](C)O1 ZINC001348580128 872730693 /nfs/dbraw/zinc/73/06/93/872730693.db2.gz JCVVHMZPOQFWTF-JCECYMMASA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)C[C@H](C)O1 ZINC001348580128 872730698 /nfs/dbraw/zinc/73/06/98/872730698.db2.gz JCVVHMZPOQFWTF-JCECYMMASA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@H](C)O1 ZINC001348580128 872730700 /nfs/dbraw/zinc/73/07/00/872730700.db2.gz JCVVHMZPOQFWTF-JCECYMMASA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@H](C)O1 ZINC001348580128 872730708 /nfs/dbraw/zinc/73/07/08/872730708.db2.gz JCVVHMZPOQFWTF-JCECYMMASA-N 2 2 350.507 0.475 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC001331136411 872977375 /nfs/dbraw/zinc/97/73/75/872977375.db2.gz XCKJMCWBZIPOPO-CTYIDZIISA-N 2 2 364.515 0.856 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC001331136411 872977379 /nfs/dbraw/zinc/97/73/79/872977379.db2.gz XCKJMCWBZIPOPO-CTYIDZIISA-N 2 2 364.515 0.856 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001333178668 873839368 /nfs/dbraw/zinc/83/93/68/873839368.db2.gz SRBPWBJZFRHEEI-STQMWFEESA-N 2 2 359.517 0.763 20 0 FCADLP COCC[N@H+](C)CCNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157858 947498325 /nfs/dbraw/zinc/49/83/25/947498325.db2.gz OTUJAJCSRXTGDE-UHFFFAOYSA-N 2 2 373.505 0.999 20 0 FCADLP COCC[N@@H+](C)CCNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157858 947498334 /nfs/dbraw/zinc/49/83/34/947498334.db2.gz OTUJAJCSRXTGDE-UHFFFAOYSA-N 2 2 373.505 0.999 20 0 FCADLP c1nnc(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000826526992 948464877 /nfs/dbraw/zinc/46/48/77/948464877.db2.gz VALVTGNDYKBBLZ-UHFFFAOYSA-N 2 2 353.434 0.782 20 0 FCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918824 948857404 /nfs/dbraw/zinc/85/74/04/948857404.db2.gz RFAKUGMWEYNMNA-LBPRGKRZSA-N 2 2 355.406 0.277 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923541 948953984 /nfs/dbraw/zinc/95/39/84/948953984.db2.gz PINCPGLJXCIQQG-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944405 949390380 /nfs/dbraw/zinc/39/03/80/949390380.db2.gz CVTRYQSLUVRYFO-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574945095 949410992 /nfs/dbraw/zinc/41/09/92/949410992.db2.gz KPCLDPOYDZTESL-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574945095 949411007 /nfs/dbraw/zinc/41/10/07/949411007.db2.gz KPCLDPOYDZTESL-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574947423 949446556 /nfs/dbraw/zinc/44/65/56/949446556.db2.gz ARJDFWBTJYNDSC-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724003 949862796 /nfs/dbraw/zinc/86/27/96/949862796.db2.gz DROKXDXZIGJYHZ-LBPRGKRZSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](CN(C)C(=O)C[N@@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724003 949862811 /nfs/dbraw/zinc/86/28/11/949862811.db2.gz DROKXDXZIGJYHZ-LBPRGKRZSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286491 949985927 /nfs/dbraw/zinc/98/59/27/949985927.db2.gz XDFUSIIACOWIGI-VXGBXAGGSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286491 949985947 /nfs/dbraw/zinc/98/59/47/949985947.db2.gz XDFUSIIACOWIGI-VXGBXAGGSA-N 2 2 358.450 0.473 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574728554 949995295 /nfs/dbraw/zinc/99/52/95/949995295.db2.gz CTXYOYUFTZBOAA-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575904703 950283313 /nfs/dbraw/zinc/28/33/13/950283313.db2.gz AKCAAEDHQBLJQG-WCQYABFASA-N 2 2 372.458 0.904 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575906642 950318716 /nfs/dbraw/zinc/31/87/16/950318716.db2.gz KCPFTQWFRGQOCB-XJKSGUPXSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907574 950340567 /nfs/dbraw/zinc/34/05/67/950340567.db2.gz PFLBDTARNNRSER-MLGOLLRUSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206646 950575463 /nfs/dbraw/zinc/57/54/63/950575463.db2.gz YMPJBLMWZRKGAB-ZIAGYGMSSA-N 2 2 370.461 0.546 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206646 950575478 /nfs/dbraw/zinc/57/54/78/950575478.db2.gz YMPJBLMWZRKGAB-ZIAGYGMSSA-N 2 2 370.461 0.546 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207305 950596207 /nfs/dbraw/zinc/59/62/07/950596207.db2.gz DWSJOAKRPSCCNI-LBPRGKRZSA-N 2 2 363.491 0.818 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207305 950596221 /nfs/dbraw/zinc/59/62/21/950596221.db2.gz DWSJOAKRPSCCNI-LBPRGKRZSA-N 2 2 363.491 0.818 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207305 950596234 /nfs/dbraw/zinc/59/62/34/950596234.db2.gz DWSJOAKRPSCCNI-LBPRGKRZSA-N 2 2 363.491 0.818 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207305 950596244 /nfs/dbraw/zinc/59/62/44/950596244.db2.gz DWSJOAKRPSCCNI-LBPRGKRZSA-N 2 2 363.491 0.818 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574516309 950636617 /nfs/dbraw/zinc/63/66/17/950636617.db2.gz HNSQRSVNSXHUCR-RWMBFGLXSA-N 2 2 367.417 0.591 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571032631 951552128 /nfs/dbraw/zinc/55/21/28/951552128.db2.gz AGERBGZXNSBMFV-GFCCVEGCSA-N 2 2 367.417 0.218 20 0 FCADLP Cc1cc(N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571037266 951622859 /nfs/dbraw/zinc/62/28/59/951622859.db2.gz IHDDJAQFXOZJHH-GFCCVEGCSA-N 2 2 367.417 0.241 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575081153 951720459 /nfs/dbraw/zinc/72/04/59/951720459.db2.gz OWYCSYOLINXDAB-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090275 951759368 /nfs/dbraw/zinc/75/93/68/951759368.db2.gz KHGTZCDJAIXRRB-NSHDSACASA-N 2 2 372.408 0.814 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575104312 951883420 /nfs/dbraw/zinc/88/34/20/951883420.db2.gz ZFLMDGWKHMVMHH-LLVKDONJSA-N 2 2 360.447 0.761 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113783 951945638 /nfs/dbraw/zinc/94/56/38/951945638.db2.gz GAVRIDLGHBPZCF-CYBMUJFWSA-N 2 2 354.418 0.605 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000291599734 214045067 /nfs/dbraw/zinc/04/50/67/214045067.db2.gz BWQUZJABEVEPPN-AWEZNQCLSA-N 2 2 364.446 0.980 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000291599734 214045071 /nfs/dbraw/zinc/04/50/71/214045071.db2.gz BWQUZJABEVEPPN-AWEZNQCLSA-N 2 2 364.446 0.980 20 0 FCADLP O=C(CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292507556 214104770 /nfs/dbraw/zinc/10/47/70/214104770.db2.gz PNZFTQHPPJPWIU-IAGOWNOFSA-N 2 2 371.485 0.721 20 0 FCADLP C[C@@H](O)CNc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc[nH+]1 ZINC000294414618 214244431 /nfs/dbraw/zinc/24/44/31/214244431.db2.gz ODFVGJKESIUFFA-CQSZACIVSA-N 2 2 362.478 0.260 20 0 FCADLP CN(C)C(=O)C[NH+](C)Cc1cc(C[N@@H+](C)CC(=O)N(C)C)ccc1F ZINC000296597709 214355605 /nfs/dbraw/zinc/35/56/05/214355605.db2.gz SNXDXZWRKHBSSW-UHFFFAOYSA-N 2 2 352.454 0.866 20 0 FCADLP CN(C)C(=O)C[NH+](C)Cc1cc(C[N@H+](C)CC(=O)N(C)C)ccc1F ZINC000296597709 214355607 /nfs/dbraw/zinc/35/56/07/214355607.db2.gz SNXDXZWRKHBSSW-UHFFFAOYSA-N 2 2 352.454 0.866 20 0 FCADLP CN(C)C(=O)C[NH+](C)Cc1ccc(F)c(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000296597709 214355610 /nfs/dbraw/zinc/35/56/10/214355610.db2.gz SNXDXZWRKHBSSW-UHFFFAOYSA-N 2 2 352.454 0.866 20 0 FCADLP CN(C)C(=O)C[NH+](C)Cc1ccc(F)c(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000296597709 214355612 /nfs/dbraw/zinc/35/56/12/214355612.db2.gz SNXDXZWRKHBSSW-UHFFFAOYSA-N 2 2 352.454 0.866 20 0 FCADLP CC[NH+](CC)CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000296946964 214371374 /nfs/dbraw/zinc/37/13/74/214371374.db2.gz ASOXUXZMZPFTMY-OAHLLOKOSA-N 2 2 356.492 0.549 20 0 FCADLP CCc1nc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000297207181 214386907 /nfs/dbraw/zinc/38/69/07/214386907.db2.gz LXELGQAOCDDYHI-UHFFFAOYSA-N 2 2 372.477 0.774 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cccc3c2OCCO3)CN1CC[NH+]1CCOCC1 ZINC000265879983 210241250 /nfs/dbraw/zinc/24/12/50/210241250.db2.gz TYVLUFFETVDPEY-MRXNPFEDSA-N 2 2 361.442 0.481 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410847474 529696736 /nfs/dbraw/zinc/69/67/36/529696736.db2.gz LFQXTIUUOKZOJE-JKSUJKDBSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410847474 529696739 /nfs/dbraw/zinc/69/67/39/529696739.db2.gz LFQXTIUUOKZOJE-JKSUJKDBSA-N 2 2 368.522 0.233 20 0 FCADLP CCOC(=O)CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265648953 210187969 /nfs/dbraw/zinc/18/79/69/210187969.db2.gz MKEPLQZYCCNPFZ-UHFFFAOYSA-N 2 2 363.462 0.779 20 0 FCADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410546231 529954977 /nfs/dbraw/zinc/95/49/77/529954977.db2.gz LZTAFWGYYRZUPW-SFHVURJKSA-N 2 2 358.486 0.741 20 0 FCADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410546231 529954978 /nfs/dbraw/zinc/95/49/78/529954978.db2.gz LZTAFWGYYRZUPW-SFHVURJKSA-N 2 2 358.486 0.741 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265548817 210164116 /nfs/dbraw/zinc/16/41/16/210164116.db2.gz YGKBIGMOQITLSF-OCCSQVGLSA-N 2 2 354.476 0.623 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000331572132 215017638 /nfs/dbraw/zinc/01/76/38/215017638.db2.gz LSZXODZTWPWTNX-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000331572132 215017640 /nfs/dbraw/zinc/01/76/40/215017640.db2.gz LSZXODZTWPWTNX-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000331576793 215016428 /nfs/dbraw/zinc/01/64/28/215016428.db2.gz MCQNYMROSLAHSN-VVLHAWIVSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000331576793 215016430 /nfs/dbraw/zinc/01/64/30/215016430.db2.gz MCQNYMROSLAHSN-VVLHAWIVSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000331591773 215020212 /nfs/dbraw/zinc/02/02/12/215020212.db2.gz HDPICVNWLPMUCV-ZACQAIPSSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587333 215020336 /nfs/dbraw/zinc/02/03/36/215020336.db2.gz NMBWTRNZSXDMTC-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331587333 215020339 /nfs/dbraw/zinc/02/03/39/215020339.db2.gz NMBWTRNZSXDMTC-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000331602485 215021773 /nfs/dbraw/zinc/02/17/73/215021773.db2.gz VRUJQKYTGLDFGG-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000331602485 215021775 /nfs/dbraw/zinc/02/17/75/215021775.db2.gz VRUJQKYTGLDFGG-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000331733780 215041647 /nfs/dbraw/zinc/04/16/47/215041647.db2.gz SXYXISIUHVTKNK-IKGGRYGDSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000331733780 215041651 /nfs/dbraw/zinc/04/16/51/215041651.db2.gz SXYXISIUHVTKNK-IKGGRYGDSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000331797779 215048609 /nfs/dbraw/zinc/04/86/09/215048609.db2.gz AOVWFUQQBCCWDC-IPYPFGDCSA-N 2 2 350.488 0.759 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265127543 210061278 /nfs/dbraw/zinc/06/12/78/210061278.db2.gz XOJJHAMKDIICSE-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265127543 210061281 /nfs/dbraw/zinc/06/12/81/210061281.db2.gz XOJJHAMKDIICSE-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000331925681 215068382 /nfs/dbraw/zinc/06/83/82/215068382.db2.gz KLVNHPMHCCPROS-RDJZCZTQSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000331925681 215068383 /nfs/dbraw/zinc/06/83/83/215068383.db2.gz KLVNHPMHCCPROS-RDJZCZTQSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000331925681 215068385 /nfs/dbraw/zinc/06/83/85/215068385.db2.gz KLVNHPMHCCPROS-RDJZCZTQSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000331925681 215068386 /nfs/dbraw/zinc/06/83/86/215068386.db2.gz KLVNHPMHCCPROS-RDJZCZTQSA-N 2 2 367.490 0.726 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000332090281 215090699 /nfs/dbraw/zinc/09/06/99/215090699.db2.gz UXPIGWMVUDKYEF-CHWSQXEVSA-N 2 2 361.446 0.374 20 0 FCADLP NS(=O)(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000332122800 215097912 /nfs/dbraw/zinc/09/79/12/215097912.db2.gz LWMZKYJLFSWHJE-UHFFFAOYSA-N 2 2 352.504 0.994 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000332496870 215162156 /nfs/dbraw/zinc/16/21/56/215162156.db2.gz FAYGHZFATSSOFB-HNNXBMFYSA-N 2 2 359.474 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000332502732 215163053 /nfs/dbraw/zinc/16/30/53/215163053.db2.gz AGSLZPOSDYKXFB-IKGGRYGDSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000332502732 215163056 /nfs/dbraw/zinc/16/30/56/215163056.db2.gz AGSLZPOSDYKXFB-IKGGRYGDSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000332510732 215164863 /nfs/dbraw/zinc/16/48/63/215164863.db2.gz DMFKSEXBNKYZRD-BZUAXINKSA-N 2 2 359.474 0.496 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000332526218 215168995 /nfs/dbraw/zinc/16/89/95/215168995.db2.gz COTPJZAOXAHEPM-OAGGEKHMSA-N 2 2 359.474 0.496 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@@H]1C ZINC000332648256 215198088 /nfs/dbraw/zinc/19/80/88/215198088.db2.gz KRKFEPFOMGQTMR-LUKYLMHMSA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@@H]1C ZINC000332648256 215198091 /nfs/dbraw/zinc/19/80/91/215198091.db2.gz KRKFEPFOMGQTMR-LUKYLMHMSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C[C@H]1[NH+]1CCOCC1 ZINC000332709607 215205980 /nfs/dbraw/zinc/20/59/80/215205980.db2.gz YMUDJYFDSPEWPE-BFYDXBDKSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000332704734 215206010 /nfs/dbraw/zinc/20/60/10/215206010.db2.gz GCDDGAGFIUZFLN-SQNIBIBYSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@@]3(CCCOC3)C2)C1 ZINC000332781515 215211011 /nfs/dbraw/zinc/21/10/11/215211011.db2.gz WWSYBWXBDYQEQN-HKUYNNGSSA-N 2 2 369.506 0.341 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCO[C@@]3(CCCOC3)C2)C1 ZINC000332781515 215211015 /nfs/dbraw/zinc/21/10/15/215211015.db2.gz WWSYBWXBDYQEQN-HKUYNNGSSA-N 2 2 369.506 0.341 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)C1 ZINC000332781515 215211017 /nfs/dbraw/zinc/21/10/17/215211017.db2.gz WWSYBWXBDYQEQN-HKUYNNGSSA-N 2 2 369.506 0.341 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)C1 ZINC000332781515 215211020 /nfs/dbraw/zinc/21/10/20/215211020.db2.gz WWSYBWXBDYQEQN-HKUYNNGSSA-N 2 2 369.506 0.341 20 0 FCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000332953947 215219089 /nfs/dbraw/zinc/21/90/89/215219089.db2.gz GBCWAYZWRMFFOX-JKSUJKDBSA-N 2 2 364.494 0.529 20 0 FCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000332953947 215219092 /nfs/dbraw/zinc/21/90/92/215219092.db2.gz GBCWAYZWRMFFOX-JKSUJKDBSA-N 2 2 364.494 0.529 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@@]3(CCOC3)C2)C1 ZINC000332958279 215218676 /nfs/dbraw/zinc/21/86/76/215218676.db2.gz FTZTZVNLOYZUSF-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)O[C@@]3(CCOC3)C2)C1 ZINC000332958279 215218678 /nfs/dbraw/zinc/21/86/78/215218678.db2.gz FTZTZVNLOYZUSF-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)C1 ZINC000332958279 215218682 /nfs/dbraw/zinc/21/86/82/215218682.db2.gz FTZTZVNLOYZUSF-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)C1 ZINC000332958279 215218686 /nfs/dbraw/zinc/21/86/86/215218686.db2.gz FTZTZVNLOYZUSF-LMMKCTJWSA-N 2 2 369.506 0.339 20 0 FCADLP Cn1cc(C[NH+]2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000333171659 215244597 /nfs/dbraw/zinc/24/45/97/215244597.db2.gz PYLOWHXSBOSCOO-UHFFFAOYSA-N 2 2 360.506 0.281 20 0 FCADLP Cn1cc(CN2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cn1 ZINC000333171659 215244602 /nfs/dbraw/zinc/24/46/02/215244602.db2.gz PYLOWHXSBOSCOO-UHFFFAOYSA-N 2 2 360.506 0.281 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000333190939 215248010 /nfs/dbraw/zinc/24/80/10/215248010.db2.gz VWWKUHCWTJSROK-INIZCTEOSA-N 2 2 352.479 0.215 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000333307328 215261345 /nfs/dbraw/zinc/26/13/45/215261345.db2.gz IOUWIACWGWWMMX-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000333307328 215261346 /nfs/dbraw/zinc/26/13/46/215261346.db2.gz IOUWIACWGWWMMX-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC000333454984 215284927 /nfs/dbraw/zinc/28/49/27/215284927.db2.gz YBGOSWVCIGLSDS-RRFJBIMHSA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[nH+]cn1 ZINC000333454984 215284929 /nfs/dbraw/zinc/28/49/29/215284929.db2.gz YBGOSWVCIGLSDS-RRFJBIMHSA-N 2 2 359.478 0.738 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 ZINC000333636305 215303799 /nfs/dbraw/zinc/30/37/99/215303799.db2.gz BNSDMJIDWJTJAN-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)CC1 ZINC000333636305 215303805 /nfs/dbraw/zinc/30/38/05/215303805.db2.gz BNSDMJIDWJTJAN-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cs1 ZINC000333654010 215304904 /nfs/dbraw/zinc/30/49/04/215304904.db2.gz KIIJTXKOGREUPJ-OAHLLOKOSA-N 2 2 353.492 0.657 20 0 FCADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cs1 ZINC000333654010 215304907 /nfs/dbraw/zinc/30/49/07/215304907.db2.gz KIIJTXKOGREUPJ-OAHLLOKOSA-N 2 2 353.492 0.657 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH+](CC2CC2)CC1 ZINC000333684723 215307727 /nfs/dbraw/zinc/30/77/27/215307727.db2.gz BGDFDNDJWYPBFB-UHFFFAOYSA-N 2 2 366.506 0.605 20 0 FCADLP C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[NH+]1CCSCC1 ZINC000333734779 215314165 /nfs/dbraw/zinc/31/41/65/215314165.db2.gz KLXTZEWDTRAJLT-HNNXBMFYSA-N 2 2 357.520 0.421 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333827442 215323611 /nfs/dbraw/zinc/32/36/11/215323611.db2.gz ISQUKCYJJWJASY-USXIJHARSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863983 215326226 /nfs/dbraw/zinc/32/62/26/215326226.db2.gz QNPJXWGYWXLWPB-GVDBMIGSSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(=O)N1CCCCC1 ZINC000333863983 215326229 /nfs/dbraw/zinc/32/62/29/215326229.db2.gz QNPJXWGYWXLWPB-GVDBMIGSSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333899648 215330274 /nfs/dbraw/zinc/33/02/74/215330274.db2.gz ZPOSINZWINZQCZ-HZPDHXFCSA-N 2 2 351.495 0.467 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003653 215335710 /nfs/dbraw/zinc/33/57/10/215335710.db2.gz CXUKILDEQLCWDY-IXDOHACOSA-N 2 2 367.538 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334003653 215335713 /nfs/dbraw/zinc/33/57/13/215335713.db2.gz CXUKILDEQLCWDY-IXDOHACOSA-N 2 2 367.538 0.815 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000334021456 215336484 /nfs/dbraw/zinc/33/64/84/215336484.db2.gz DFENIAQPCZPDRC-DLBZAZTESA-N 2 2 368.522 0.774 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000285773123 213393955 /nfs/dbraw/zinc/39/39/55/213393955.db2.gz FCNPIGCDBMOROC-HNNXBMFYSA-N 2 2 365.478 0.125 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC1 ZINC000360731553 215369071 /nfs/dbraw/zinc/36/90/71/215369071.db2.gz FTQKNGQWCGXSNY-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285558977 213357914 /nfs/dbraw/zinc/35/79/14/213357914.db2.gz RMAKOJJCSCQOLN-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285558977 213357918 /nfs/dbraw/zinc/35/79/18/213357918.db2.gz RMAKOJJCSCQOLN-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285558977 213357920 /nfs/dbraw/zinc/35/79/20/213357920.db2.gz RMAKOJJCSCQOLN-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285558977 213357924 /nfs/dbraw/zinc/35/79/24/213357924.db2.gz RMAKOJJCSCQOLN-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285374989 213333549 /nfs/dbraw/zinc/33/35/49/213333549.db2.gz CJZXYSGXBITNMT-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285374989 213333553 /nfs/dbraw/zinc/33/35/53/213333553.db2.gz CJZXYSGXBITNMT-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285374989 213333554 /nfs/dbraw/zinc/33/35/54/213333554.db2.gz CJZXYSGXBITNMT-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285374989 213333556 /nfs/dbraw/zinc/33/35/56/213333556.db2.gz CJZXYSGXBITNMT-YIONKMFJSA-N 2 2 366.487 0.830 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137454 213291221 /nfs/dbraw/zinc/29/12/21/213291221.db2.gz SAUKRKQSVUIHAA-IRXDYDNUSA-N 2 2 373.501 0.967 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137454 213291224 /nfs/dbraw/zinc/29/12/24/213291224.db2.gz SAUKRKQSVUIHAA-IRXDYDNUSA-N 2 2 373.501 0.967 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000284867237 213237034 /nfs/dbraw/zinc/23/70/34/213237034.db2.gz AUMJYVIUCXLAHY-UHFFFAOYSA-N 2 2 363.462 0.181 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000931185515 674097928 /nfs/dbraw/zinc/09/79/28/674097928.db2.gz NDFANKBKHQZDMV-KSZLIROESA-N 2 2 351.491 0.953 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000284361312 213120645 /nfs/dbraw/zinc/12/06/45/213120645.db2.gz OPENJKUILSALJU-INIZCTEOSA-N 2 2 373.432 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000284361312 213120648 /nfs/dbraw/zinc/12/06/48/213120648.db2.gz OPENJKUILSALJU-INIZCTEOSA-N 2 2 373.432 0.975 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000284326545 213112584 /nfs/dbraw/zinc/11/25/84/213112584.db2.gz JNUKSUWJFVZGAH-OAHLLOKOSA-N 2 2 350.463 0.847 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000284284230 213103290 /nfs/dbraw/zinc/10/32/90/213103290.db2.gz IKEJLEGGXGVXTI-DOTOQJQBSA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000284284230 213103292 /nfs/dbraw/zinc/10/32/92/213103292.db2.gz IKEJLEGGXGVXTI-DOTOQJQBSA-N 2 2 369.469 0.936 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCSC1 ZINC000284187448 213094417 /nfs/dbraw/zinc/09/44/17/213094417.db2.gz UOAFPHUGFOKNED-KRWDZBQOSA-N 2 2 361.471 0.504 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000284147614 213085635 /nfs/dbraw/zinc/08/56/35/213085635.db2.gz YWHKRQBPSVFFET-HNNXBMFYSA-N 2 2 370.457 0.816 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284160083 213087617 /nfs/dbraw/zinc/08/76/17/213087617.db2.gz UFCYYKSRQOFDQH-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000284144723 213083926 /nfs/dbraw/zinc/08/39/26/213083926.db2.gz YRTZKRLKDWOMIX-AWEZNQCLSA-N 2 2 374.445 0.040 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000284109415 213076432 /nfs/dbraw/zinc/07/64/32/213076432.db2.gz VQIKLCRMONMVGP-MRXNPFEDSA-N 2 2 365.478 0.253 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000284071792 213068209 /nfs/dbraw/zinc/06/82/09/213068209.db2.gz RWLRXCGFFXJZTK-UHFFFAOYSA-N 2 2 357.458 0.982 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000283981345 213047875 /nfs/dbraw/zinc/04/78/75/213047875.db2.gz MIVQSUJGMRLTOO-MRXNPFEDSA-N 2 2 355.442 0.990 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000283941518 213040844 /nfs/dbraw/zinc/04/08/44/213040844.db2.gz KSRINMWWEAKMJH-DZGCQCFKSA-N 2 2 355.442 0.734 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@H+]1C1CC1 ZINC000283941518 213040847 /nfs/dbraw/zinc/04/08/47/213040847.db2.gz KSRINMWWEAKMJH-DZGCQCFKSA-N 2 2 355.442 0.734 20 0 FCADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCCn1cc[nH+]c1 ZINC000283928030 213036291 /nfs/dbraw/zinc/03/62/91/213036291.db2.gz LZRDAGQWZPWBDD-UHFFFAOYSA-N 2 2 355.442 0.564 20 0 FCADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)NCCn1cc[nH+]c1 ZINC000283928030 213036294 /nfs/dbraw/zinc/03/62/94/213036294.db2.gz LZRDAGQWZPWBDD-UHFFFAOYSA-N 2 2 355.442 0.564 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881417 213027304 /nfs/dbraw/zinc/02/73/04/213027304.db2.gz KBJKOVFTNWVOHJ-NVXWUHKLSA-N 2 2 355.442 0.636 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881417 213027307 /nfs/dbraw/zinc/02/73/07/213027307.db2.gz KBJKOVFTNWVOHJ-NVXWUHKLSA-N 2 2 355.442 0.636 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000283217606 212920269 /nfs/dbraw/zinc/92/02/69/212920269.db2.gz BALHCZRAFZIFPH-UHFFFAOYSA-N 2 2 355.442 0.941 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000366710786 216020120 /nfs/dbraw/zinc/02/01/20/216020120.db2.gz PCDDGTWHZXEDPE-HUUCEWRRSA-N 2 2 366.487 0.638 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000366710786 216020123 /nfs/dbraw/zinc/02/01/23/216020123.db2.gz PCDDGTWHZXEDPE-HUUCEWRRSA-N 2 2 366.487 0.638 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000366729574 216023400 /nfs/dbraw/zinc/02/34/00/216023400.db2.gz WVHUKPJMGDQKAC-QYZOEREBSA-N 2 2 359.470 0.819 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000366729574 216023404 /nfs/dbraw/zinc/02/34/04/216023404.db2.gz WVHUKPJMGDQKAC-QYZOEREBSA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000366729574 216023409 /nfs/dbraw/zinc/02/34/09/216023409.db2.gz WVHUKPJMGDQKAC-QYZOEREBSA-N 2 2 359.470 0.819 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000366729574 216023412 /nfs/dbraw/zinc/02/34/12/216023412.db2.gz WVHUKPJMGDQKAC-QYZOEREBSA-N 2 2 359.470 0.819 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000413216516 237294113 /nfs/dbraw/zinc/29/41/13/237294113.db2.gz SSCXFQWXQHBBBT-UHFFFAOYSA-N 2 2 372.510 0.086 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000413216516 237294122 /nfs/dbraw/zinc/29/41/22/237294122.db2.gz SSCXFQWXQHBBBT-UHFFFAOYSA-N 2 2 372.510 0.086 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413234826 237296702 /nfs/dbraw/zinc/29/67/02/237296702.db2.gz FRMPRWAJUBPWAG-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000413322812 237315019 /nfs/dbraw/zinc/31/50/19/237315019.db2.gz HLKUHHCDZVVQQT-UHFFFAOYSA-N 2 2 367.494 0.960 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000367148877 216083037 /nfs/dbraw/zinc/08/30/37/216083037.db2.gz NXRCILCDKYUNMD-IBGZPJMESA-N 2 2 358.486 0.600 20 0 FCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000367148877 216083041 /nfs/dbraw/zinc/08/30/41/216083041.db2.gz NXRCILCDKYUNMD-IBGZPJMESA-N 2 2 358.486 0.600 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230911 216094930 /nfs/dbraw/zinc/09/49/30/216094930.db2.gz LFEPFYDXPKGENH-WFASDCNBSA-N 2 2 365.396 0.966 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230911 216094934 /nfs/dbraw/zinc/09/49/34/216094934.db2.gz LFEPFYDXPKGENH-WFASDCNBSA-N 2 2 365.396 0.966 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000367732463 216154472 /nfs/dbraw/zinc/15/44/72/216154472.db2.gz ZOQRBDFMWXHVRT-SJLPKXTDSA-N 2 2 373.501 0.769 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000367731123 216155376 /nfs/dbraw/zinc/15/53/76/216155376.db2.gz VLDQBERUIDUSMR-BPQIPLTHSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000367731123 216155378 /nfs/dbraw/zinc/15/53/78/216155378.db2.gz VLDQBERUIDUSMR-BPQIPLTHSA-N 2 2 351.491 0.951 20 0 FCADLP NC(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000367989551 216188705 /nfs/dbraw/zinc/18/87/05/216188705.db2.gz QVSMRZCJBOVRSZ-INIZCTEOSA-N 2 2 360.458 0.655 20 0 FCADLP NC(=O)C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000367989551 216188707 /nfs/dbraw/zinc/18/87/07/216188707.db2.gz QVSMRZCJBOVRSZ-INIZCTEOSA-N 2 2 360.458 0.655 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CC(N)=O)C3)CC2)c1 ZINC000367987935 216189838 /nfs/dbraw/zinc/18/98/38/216189838.db2.gz IBWYBGUXJFRIGG-SFHVURJKSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685418 209396847 /nfs/dbraw/zinc/39/68/47/209396847.db2.gz JBPIMGCKUNSATR-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685418 209396850 /nfs/dbraw/zinc/39/68/50/209396850.db2.gz JBPIMGCKUNSATR-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685418 209396854 /nfs/dbraw/zinc/39/68/54/209396854.db2.gz JBPIMGCKUNSATR-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685418 209396857 /nfs/dbraw/zinc/39/68/57/209396857.db2.gz JBPIMGCKUNSATR-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000246644299 209396308 /nfs/dbraw/zinc/39/63/08/209396308.db2.gz PVFMDWLINUXKSS-WMZOPIPTSA-N 2 2 366.506 0.110 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000246644299 209396314 /nfs/dbraw/zinc/39/63/14/209396314.db2.gz PVFMDWLINUXKSS-WMZOPIPTSA-N 2 2 366.506 0.110 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000246110704 209380042 /nfs/dbraw/zinc/38/00/42/209380042.db2.gz JIJNCJGFXKPKRU-RDJZCZTQSA-N 2 2 359.474 0.895 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000246110704 209380045 /nfs/dbraw/zinc/38/00/45/209380045.db2.gz JIJNCJGFXKPKRU-RDJZCZTQSA-N 2 2 359.474 0.895 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000237228572 209348606 /nfs/dbraw/zinc/34/86/06/209348606.db2.gz GKOXZJAUFJPHGI-QGZVFWFLSA-N 2 2 366.487 0.561 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C[C@@H](C)O1 ZINC000368299458 216228956 /nfs/dbraw/zinc/22/89/56/216228956.db2.gz OSASVXHBUVDEIT-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C[C@@H](C)O1 ZINC000368299458 216228960 /nfs/dbraw/zinc/22/89/60/216228960.db2.gz OSASVXHBUVDEIT-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237571585 209353509 /nfs/dbraw/zinc/35/35/09/209353509.db2.gz DFIIBTCWSJWKQK-OWCLPIDISA-N 2 2 350.507 0.824 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000237216995 209349935 /nfs/dbraw/zinc/34/99/35/209349935.db2.gz QWBOXPHNDCDJRT-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000237227952 209349358 /nfs/dbraw/zinc/34/93/58/209349358.db2.gz SVVVVQBCODYIAG-ZIAGYGMSSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000237228453 209348381 /nfs/dbraw/zinc/34/83/81/209348381.db2.gz SVVVVQBCODYIAG-KBPBESRZSA-N 2 2 366.487 0.689 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000237130592 209348013 /nfs/dbraw/zinc/34/80/13/209348013.db2.gz HHRGCOFUHOIVJS-KRWDZBQOSA-N 2 2 362.474 0.553 20 0 FCADLP C[NH2+]CCNC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000237047459 209346786 /nfs/dbraw/zinc/34/67/86/209346786.db2.gz DYVMWOZMSRASBQ-UHFFFAOYSA-N 2 2 354.476 0.754 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000236971095 209346710 /nfs/dbraw/zinc/34/67/10/209346710.db2.gz GMKOYAGCPORWGG-AWEZNQCLSA-N 2 2 366.487 0.561 20 0 FCADLP CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000236997070 209346567 /nfs/dbraw/zinc/34/65/67/209346567.db2.gz WFLJFUWSELIYSJ-HOTGVXAUSA-N 2 2 355.504 0.730 20 0 FCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3C[NH2+]CCO3)CCCC2)no1 ZINC000236942847 209345968 /nfs/dbraw/zinc/34/59/68/209345968.db2.gz UYUUTAGOVAUKNK-CYBMUJFWSA-N 2 2 351.451 0.785 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000237028100 209345977 /nfs/dbraw/zinc/34/59/77/209345977.db2.gz XLDBBMPOICILSM-UHFFFAOYSA-N 2 2 353.492 0.618 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000237028100 209345979 /nfs/dbraw/zinc/34/59/79/209345979.db2.gz XLDBBMPOICILSM-UHFFFAOYSA-N 2 2 353.492 0.618 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000237026952 209346022 /nfs/dbraw/zinc/34/60/22/209346022.db2.gz QUGBGOFOHRSHEX-SFHVURJKSA-N 2 2 360.502 0.959 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000237026952 209346025 /nfs/dbraw/zinc/34/60/25/209346025.db2.gz QUGBGOFOHRSHEX-SFHVURJKSA-N 2 2 360.502 0.959 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000195466802 209337396 /nfs/dbraw/zinc/33/73/96/209337396.db2.gz LIYHSFXXJNEWDM-HZPDHXFCSA-N 2 2 363.506 0.074 20 0 FCADLP CCOC1CC(CNC(=O)NCCCn2cc[nH+]c2)([NH+]2CCOCC2)C1 ZINC000193809643 209319780 /nfs/dbraw/zinc/31/97/80/209319780.db2.gz ZNLURUHFVIYGPS-UHFFFAOYSA-N 2 2 365.478 0.842 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000193439073 209312643 /nfs/dbraw/zinc/31/26/43/209312643.db2.gz NIXOYOSJXQESFB-IRXDYDNUSA-N 2 2 369.473 0.905 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000193439073 209312645 /nfs/dbraw/zinc/31/26/45/209312645.db2.gz NIXOYOSJXQESFB-IRXDYDNUSA-N 2 2 369.473 0.905 20 0 FCADLP CN(C(=O)NCCCO[C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368434812 216246848 /nfs/dbraw/zinc/24/68/48/216246848.db2.gz UWQJIWGDMNXGRU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCCO[C@@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368434812 216246852 /nfs/dbraw/zinc/24/68/52/216246852.db2.gz UWQJIWGDMNXGRU-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)NC2CC[NH+](C)CC2)([NH+]2CCOCC2)C1 ZINC000192494348 209301232 /nfs/dbraw/zinc/30/12/32/209301232.db2.gz OQURCJMJLHKOIA-UHFFFAOYSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790502 216296164 /nfs/dbraw/zinc/29/61/64/216296164.db2.gz MBQBAWHZPDWJDY-SMDDNHRTSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790502 216296167 /nfs/dbraw/zinc/29/61/67/216296167.db2.gz MBQBAWHZPDWJDY-SMDDNHRTSA-N 2 2 352.401 0.767 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000368981447 216328843 /nfs/dbraw/zinc/32/88/43/216328843.db2.gz UHXOFXLIZVHCTK-BZSNNMDCSA-N 2 2 368.522 0.584 20 0 FCADLP CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273694 216374869 /nfs/dbraw/zinc/37/48/69/216374869.db2.gz IRIRKPBHLLHVRL-GDBMZVCRSA-N 2 2 368.547 0.973 20 0 FCADLP CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273694 216374873 /nfs/dbraw/zinc/37/48/73/216374873.db2.gz IRIRKPBHLLHVRL-GDBMZVCRSA-N 2 2 368.547 0.973 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(C(N)=O)cc3)C2)CC1 ZINC000369279285 216375707 /nfs/dbraw/zinc/37/57/07/216375707.db2.gz WDIWLBJIODQMCU-OAHLLOKOSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccc(C(N)=O)cc3)C2)CC1 ZINC000369279285 216375711 /nfs/dbraw/zinc/37/57/11/216375711.db2.gz WDIWLBJIODQMCU-OAHLLOKOSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(C(N)=O)cc3)C2)CC1 ZINC000369279284 216376104 /nfs/dbraw/zinc/37/61/04/216376104.db2.gz WDIWLBJIODQMCU-HNNXBMFYSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(C(N)=O)cc3)C2)CC1 ZINC000369279284 216376105 /nfs/dbraw/zinc/37/61/05/216376105.db2.gz WDIWLBJIODQMCU-HNNXBMFYSA-N 2 2 360.458 0.449 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C1 ZINC000369396417 216397410 /nfs/dbraw/zinc/39/74/10/216397410.db2.gz XNKOPTFQCUOPBN-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C1 ZINC000369396417 216397415 /nfs/dbraw/zinc/39/74/15/216397415.db2.gz XNKOPTFQCUOPBN-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1(O)CCOCC1 ZINC000189791673 209260701 /nfs/dbraw/zinc/26/07/01/209260701.db2.gz HGOCHAZUCGHMJX-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1(O)CCOCC1 ZINC000189791673 209260704 /nfs/dbraw/zinc/26/07/04/209260704.db2.gz HGOCHAZUCGHMJX-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000189325131 209248803 /nfs/dbraw/zinc/24/88/03/209248803.db2.gz FUOPWJHDWPVREF-ZWKOTPCHSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@]1=O ZINC000277406235 212357087 /nfs/dbraw/zinc/35/70/87/212357087.db2.gz ZSWFSKQHYSBLGQ-IVCQMTBJSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@]1=O ZINC000277406235 212357091 /nfs/dbraw/zinc/35/70/91/212357091.db2.gz ZSWFSKQHYSBLGQ-IVCQMTBJSA-N 2 2 364.515 0.963 20 0 FCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2cc[nH]c2)CC3)CC1 ZINC000370230686 216518999 /nfs/dbraw/zinc/51/89/99/216518999.db2.gz NWOINUDXJSPFAK-HNNXBMFYSA-N 2 2 356.474 0.951 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188292101 209227642 /nfs/dbraw/zinc/22/76/42/209227642.db2.gz JVWUWSDJDOVTHS-FOIQADDNSA-N 2 2 374.485 0.932 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188292101 209227651 /nfs/dbraw/zinc/22/76/51/209227651.db2.gz JVWUWSDJDOVTHS-FOIQADDNSA-N 2 2 374.485 0.932 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188292101 209227656 /nfs/dbraw/zinc/22/76/56/209227656.db2.gz JVWUWSDJDOVTHS-FOIQADDNSA-N 2 2 374.485 0.932 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1CC(C)(C)O ZINC000187627570 209214817 /nfs/dbraw/zinc/21/48/17/209214817.db2.gz FBDMSHWTVOLRIP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1CC(C)(C)O ZINC000187627570 209214820 /nfs/dbraw/zinc/21/48/20/209214820.db2.gz FBDMSHWTVOLRIP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000187627570 209214823 /nfs/dbraw/zinc/21/48/23/209214823.db2.gz FBDMSHWTVOLRIP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000187627570 209214825 /nfs/dbraw/zinc/21/48/25/209214825.db2.gz FBDMSHWTVOLRIP-CQSZACIVSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000186868851 209201843 /nfs/dbraw/zinc/20/18/43/209201843.db2.gz HZBBNSOWSSCHGD-MJGOQNOKSA-N 2 2 360.502 0.500 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000186659247 209194986 /nfs/dbraw/zinc/19/49/86/209194986.db2.gz NULFKTUQAFPDFQ-HNNXBMFYSA-N 2 2 360.524 0.054 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000275853105 212104056 /nfs/dbraw/zinc/10/40/56/212104056.db2.gz RZTLDGHJCKNYKK-OAHLLOKOSA-N 2 2 363.462 0.126 20 0 FCADLP COCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000275458270 212030292 /nfs/dbraw/zinc/03/02/92/212030292.db2.gz MVVSIBZHAZWJRE-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP COCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000275458270 212030296 /nfs/dbraw/zinc/03/02/96/212030296.db2.gz MVVSIBZHAZWJRE-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP COc1cccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000373312117 217006026 /nfs/dbraw/zinc/00/60/26/217006026.db2.gz XUBUEFNABAAJET-MRXNPFEDSA-N 2 2 374.485 0.710 20 0 FCADLP COc1cccc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000373312117 217006028 /nfs/dbraw/zinc/00/60/28/217006028.db2.gz XUBUEFNABAAJET-MRXNPFEDSA-N 2 2 374.485 0.710 20 0 FCADLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1OCC(=O)N1CCOCC1 ZINC000414872673 245328669 /nfs/dbraw/zinc/32/86/69/245328669.db2.gz WPXNWILPEPFTNW-INIZCTEOSA-N 2 2 363.458 0.774 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000415223766 245362854 /nfs/dbraw/zinc/36/28/54/245362854.db2.gz ADGWQRHHBXQZJS-RHSMWYFYSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@]2(CCOC2)O1 ZINC000373394452 217014946 /nfs/dbraw/zinc/01/49/46/217014946.db2.gz NYSOADWVRIZKHK-CRAIPNDOSA-N 2 2 354.495 0.602 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415312707 245384047 /nfs/dbraw/zinc/38/40/47/245384047.db2.gz GVXYVSUUZIWKJA-GOSISDBHSA-N 2 2 373.501 0.631 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000185385845 209176595 /nfs/dbraw/zinc/17/65/95/209176595.db2.gz MNCHOKNSUNRNIH-UHFFFAOYSA-N 2 2 350.463 0.955 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000185385845 209176596 /nfs/dbraw/zinc/17/65/96/209176596.db2.gz MNCHOKNSUNRNIH-UHFFFAOYSA-N 2 2 350.463 0.955 20 0 FCADLP Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000184589410 209166006 /nfs/dbraw/zinc/16/60/06/209166006.db2.gz RMZJXQCPQDKACM-SFHVURJKSA-N 2 2 369.469 0.558 20 0 FCADLP Cn1nc2c(cc1=O)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000184589410 209166009 /nfs/dbraw/zinc/16/60/09/209166009.db2.gz RMZJXQCPQDKACM-SFHVURJKSA-N 2 2 369.469 0.558 20 0 FCADLP O=C1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CN1CC[NH+]1CCOCC1 ZINC000373463558 217021706 /nfs/dbraw/zinc/02/17/06/217021706.db2.gz ZAMVKIMNRIFABE-INIZCTEOSA-N 2 2 353.463 0.195 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000373696742 217046605 /nfs/dbraw/zinc/04/66/05/217046605.db2.gz WOAZHVMFDQSVGW-QGZVFWFLSA-N 2 2 372.535 0.216 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000373696742 217046608 /nfs/dbraw/zinc/04/66/08/217046608.db2.gz WOAZHVMFDQSVGW-QGZVFWFLSA-N 2 2 372.535 0.216 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374324524 217117963 /nfs/dbraw/zinc/11/79/63/217117963.db2.gz MQIOEUBBHQCKTN-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374324524 217117967 /nfs/dbraw/zinc/11/79/67/217117967.db2.gz MQIOEUBBHQCKTN-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374324527 217118183 /nfs/dbraw/zinc/11/81/83/217118183.db2.gz MQIOEUBBHQCKTN-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374324527 217118185 /nfs/dbraw/zinc/11/81/85/217118185.db2.gz MQIOEUBBHQCKTN-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000374198091 217108331 /nfs/dbraw/zinc/10/83/31/217108331.db2.gz GZRGGKPTWQPAGC-IBGZPJMESA-N 3 2 366.550 0.972 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000374198091 217108335 /nfs/dbraw/zinc/10/83/35/217108335.db2.gz GZRGGKPTWQPAGC-IBGZPJMESA-N 3 2 366.550 0.972 20 0 FCADLP CCCCOCCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374780813 217172594 /nfs/dbraw/zinc/17/25/94/217172594.db2.gz NDKOPWGLQYDRJO-UHFFFAOYSA-N 2 2 357.495 0.078 20 0 FCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374997229 217201625 /nfs/dbraw/zinc/20/16/25/217201625.db2.gz JHOMSOGSEMRIAM-CALCHBBNSA-N 2 2 353.507 0.935 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000182662224 209134813 /nfs/dbraw/zinc/13/48/13/209134813.db2.gz BZCHUIAUVPRSRF-HNNXBMFYSA-N 2 2 356.488 0.920 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000375328397 217249620 /nfs/dbraw/zinc/24/96/20/217249620.db2.gz NQUXULZMXFIRME-GOSISDBHSA-N 2 2 370.457 0.996 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000375328397 217249626 /nfs/dbraw/zinc/24/96/26/217249626.db2.gz NQUXULZMXFIRME-GOSISDBHSA-N 2 2 370.457 0.996 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340572 217253322 /nfs/dbraw/zinc/25/33/22/217253322.db2.gz FOLKXYITVLBDEU-CRAIPNDOSA-N 2 2 364.494 0.305 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340572 217253326 /nfs/dbraw/zinc/25/33/26/217253326.db2.gz FOLKXYITVLBDEU-CRAIPNDOSA-N 2 2 364.494 0.305 20 0 FCADLP CN(C(=O)NCCN1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375382332 217257916 /nfs/dbraw/zinc/25/79/16/217257916.db2.gz XCDZRDXBCMMUGB-QGZVFWFLSA-N 3 2 353.511 0.129 20 0 FCADLP CN(C(=O)NCCN1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375382332 217257917 /nfs/dbraw/zinc/25/79/17/217257917.db2.gz XCDZRDXBCMMUGB-QGZVFWFLSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375382332 217257918 /nfs/dbraw/zinc/25/79/18/217257918.db2.gz XCDZRDXBCMMUGB-QGZVFWFLSA-N 3 2 353.511 0.129 20 0 FCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375382332 217257920 /nfs/dbraw/zinc/25/79/20/217257920.db2.gz XCDZRDXBCMMUGB-QGZVFWFLSA-N 3 2 353.511 0.129 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000181364158 209113727 /nfs/dbraw/zinc/11/37/27/209113727.db2.gz PWAPKUCUEDEDRA-SFHVURJKSA-N 2 2 360.458 0.620 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000181364158 209113731 /nfs/dbraw/zinc/11/37/31/209113731.db2.gz PWAPKUCUEDEDRA-SFHVURJKSA-N 2 2 360.458 0.620 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376323516 217384928 /nfs/dbraw/zinc/38/49/28/217384928.db2.gz QFTYWZWXAZVYKV-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376324235 217384965 /nfs/dbraw/zinc/38/49/65/217384965.db2.gz SNVRIPKNQSBGNB-BRWVUGGUSA-N 2 2 354.495 0.602 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376324235 217384969 /nfs/dbraw/zinc/38/49/69/217384969.db2.gz SNVRIPKNQSBGNB-BRWVUGGUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419032124 245947077 /nfs/dbraw/zinc/94/70/77/245947077.db2.gz WJBOTHZDHAULPI-JSGCOSHPSA-N 2 2 359.405 0.823 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181082141 209107534 /nfs/dbraw/zinc/10/75/34/209107534.db2.gz ZURWGMGHSQJBMU-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181082141 209107536 /nfs/dbraw/zinc/10/75/36/209107536.db2.gz ZURWGMGHSQJBMU-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000419122705 245997294 /nfs/dbraw/zinc/99/72/94/245997294.db2.gz UFFDQLQXXSQUIN-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022306 209107214 /nfs/dbraw/zinc/10/72/14/209107214.db2.gz FYYADOVBQHYZNN-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419123806 246000064 /nfs/dbraw/zinc/00/00/64/246000064.db2.gz WKUBRFQQJGEHDA-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@H](C)C[NH2+]1 ZINC000419270783 246083584 /nfs/dbraw/zinc/08/35/84/246083584.db2.gz DMVMRYUQQYMFAZ-HUUCEWRRSA-N 2 2 355.442 0.756 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC2(CCOCC2)O1 ZINC000377046872 217490667 /nfs/dbraw/zinc/49/06/67/217490667.db2.gz NVFBVHBRBCGXDB-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419237217 246074636 /nfs/dbraw/zinc/07/46/36/246074636.db2.gz OICXUGSYJCNMQF-QWHCGFSZSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419237217 246074638 /nfs/dbraw/zinc/07/46/38/246074638.db2.gz OICXUGSYJCNMQF-QWHCGFSZSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000419365393 246120067 /nfs/dbraw/zinc/12/00/67/246120067.db2.gz XWHPCZFCLUIJRC-AWEZNQCLSA-N 2 2 367.453 0.724 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c[nH+]1 ZINC000419386877 246128203 /nfs/dbraw/zinc/12/82/03/246128203.db2.gz DWBJWJABMWLVCG-INIZCTEOSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419452679 246170717 /nfs/dbraw/zinc/17/07/17/246170717.db2.gz PVOBQVBYJMFENS-IAGOWNOFSA-N 2 2 373.501 0.134 20 0 FCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419418213 246151454 /nfs/dbraw/zinc/15/14/54/246151454.db2.gz QPLZPGOCSZGOFQ-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419418213 246151458 /nfs/dbraw/zinc/15/14/58/246151458.db2.gz QPLZPGOCSZGOFQ-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508964 246186439 /nfs/dbraw/zinc/18/64/39/246186439.db2.gz RTDFUJYTPYXWGQ-IRXDYDNUSA-N 2 2 373.501 0.134 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419678988 246246173 /nfs/dbraw/zinc/24/61/73/246246173.db2.gz FMTRHIJIZOXZAW-UHOFOFEASA-N 2 2 359.405 0.480 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000419711496 246263601 /nfs/dbraw/zinc/26/36/01/246263601.db2.gz NUILJOQJYBMHGY-ZDUSSCGKSA-N 2 2 364.877 0.635 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000419711496 246263605 /nfs/dbraw/zinc/26/36/05/246263605.db2.gz NUILJOQJYBMHGY-ZDUSSCGKSA-N 2 2 364.877 0.635 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000419732099 246273722 /nfs/dbraw/zinc/27/37/22/246273722.db2.gz RTLPNCMFHBXSDC-QGZVFWFLSA-N 2 2 367.453 0.764 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000419738823 246278432 /nfs/dbraw/zinc/27/84/32/246278432.db2.gz YUTWSACYBWSWCK-CABCVRRESA-N 2 2 359.474 0.671 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419828657 246310595 /nfs/dbraw/zinc/31/05/95/246310595.db2.gz SGODSFVNWZNLPK-IYBDPMFKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000419828657 246310599 /nfs/dbraw/zinc/31/05/99/246310599.db2.gz SGODSFVNWZNLPK-IYBDPMFKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419846713 246318094 /nfs/dbraw/zinc/31/80/94/246318094.db2.gz RZJKMWHLPVELQZ-UKRRQHHQSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419920356 246367539 /nfs/dbraw/zinc/36/75/39/246367539.db2.gz GBZBKSMWQRMQAH-ZDUSSCGKSA-N 2 2 364.877 0.881 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419876412 246344208 /nfs/dbraw/zinc/34/42/08/246344208.db2.gz PPSDZGFLDNSAKN-SJORKVTESA-N 3 2 367.538 0.118 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419876412 246344214 /nfs/dbraw/zinc/34/42/14/246344214.db2.gz PPSDZGFLDNSAKN-SJORKVTESA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000419884875 246350276 /nfs/dbraw/zinc/35/02/76/246350276.db2.gz YIAVOLJXNQOWRF-QZTJIDSGSA-N 2 2 374.485 0.421 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419891816 246355225 /nfs/dbraw/zinc/35/52/25/246355225.db2.gz NPNDMQQZBPMGAV-LSDHHAIUSA-N 2 2 364.515 0.897 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000419965101 246390231 /nfs/dbraw/zinc/39/02/31/246390231.db2.gz GNCOHFJKQODYDF-BRWVUGGUSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1[NH3+] ZINC000420353345 246550489 /nfs/dbraw/zinc/55/04/89/246550489.db2.gz AZRDUDLVNIXREQ-CRAIPNDOSA-N 2 2 358.486 0.545 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)ccc1C ZINC000420373498 246553578 /nfs/dbraw/zinc/55/35/78/246553578.db2.gz RERQELIBPSGTBN-OGHNNQOOSA-N 2 2 368.503 0.818 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000423338350 247007912 /nfs/dbraw/zinc/00/79/12/247007912.db2.gz YWLKVHQUWWTVQH-JKSUJKDBSA-N 2 2 373.501 0.873 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423377004 247015704 /nfs/dbraw/zinc/01/57/04/247015704.db2.gz VLSJJINXGUDYSP-HOTGVXAUSA-N 2 2 354.495 0.141 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)C3(C)C[NH2+]C3)CC2)cc(OC)c1OC ZINC000423423292 247023772 /nfs/dbraw/zinc/02/37/72/247023772.db2.gz DVGDSTJSTGLREB-UHFFFAOYSA-N 2 2 363.458 0.966 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423533359 247044852 /nfs/dbraw/zinc/04/48/52/247044852.db2.gz XMTNUAVEFSPCKP-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423533359 247044854 /nfs/dbraw/zinc/04/48/54/247044854.db2.gz XMTNUAVEFSPCKP-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423583325 247061321 /nfs/dbraw/zinc/06/13/21/247061321.db2.gz AKTCWBMFZLQWIN-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423583325 247061327 /nfs/dbraw/zinc/06/13/27/247061327.db2.gz AKTCWBMFZLQWIN-SJLPKXTDSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000423592093 247066483 /nfs/dbraw/zinc/06/64/83/247066483.db2.gz KIPIYUGQYIKCIP-NVXWUHKLSA-N 2 2 359.474 0.497 20 0 FCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423596094 247068250 /nfs/dbraw/zinc/06/82/50/247068250.db2.gz QXVYZKFIFBRLFX-DZGCQCFKSA-N 2 2 353.488 0.750 20 0 FCADLP O=C(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423427619 247026284 /nfs/dbraw/zinc/02/62/84/247026284.db2.gz IQHZPRIEZMNMDD-CALCHBBNSA-N 2 2 359.474 0.580 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423491384 247037701 /nfs/dbraw/zinc/03/77/01/247037701.db2.gz JMBISMUKFYDHHE-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423499412 247037946 /nfs/dbraw/zinc/03/79/46/247037946.db2.gz CLJXWGCTGUMXSI-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423499412 247037950 /nfs/dbraw/zinc/03/79/50/247037950.db2.gz CLJXWGCTGUMXSI-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423491389 247038061 /nfs/dbraw/zinc/03/80/61/247038061.db2.gz JMOMWCKSXZGKAG-BPQIPLTHSA-N 2 2 374.485 0.119 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423682159 247109866 /nfs/dbraw/zinc/10/98/66/247109866.db2.gz VUKXBLJIYQJPHA-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000423615712 247076262 /nfs/dbraw/zinc/07/62/62/247076262.db2.gz ZGBWDOPKYANCDP-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000423615712 247076266 /nfs/dbraw/zinc/07/62/66/247076266.db2.gz ZGBWDOPKYANCDP-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423613439 247077512 /nfs/dbraw/zinc/07/75/12/247077512.db2.gz RGVIPUUKOOHOLQ-UHFFFAOYSA-N 2 2 360.458 0.161 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423615055 247077576 /nfs/dbraw/zinc/07/75/76/247077576.db2.gz QXARHMXIHUDCIF-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000423754365 247139437 /nfs/dbraw/zinc/13/94/37/247139437.db2.gz ZMDSTIZMSGAKCG-MRXNPFEDSA-N 2 2 359.474 0.639 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423760011 247139527 /nfs/dbraw/zinc/13/95/27/247139527.db2.gz PRGPJIISBZVGDA-JKSUJKDBSA-N 2 2 355.479 0.346 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423763042 247139614 /nfs/dbraw/zinc/13/96/14/247139614.db2.gz TXCJJQOXZYXDFB-CRAIPNDOSA-N 2 2 363.458 0.656 20 0 FCADLP Cc1nc(N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc[nH+]1 ZINC000423777315 247142661 /nfs/dbraw/zinc/14/26/61/247142661.db2.gz FYRXXJVYEFKPTA-URLQWDBASA-N 2 2 359.474 0.966 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000423709598 247118969 /nfs/dbraw/zinc/11/89/69/247118969.db2.gz WJFDOUMPFRYCNE-KURKYZTESA-N 2 2 351.491 0.842 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000423709598 247118974 /nfs/dbraw/zinc/11/89/74/247118974.db2.gz WJFDOUMPFRYCNE-KURKYZTESA-N 2 2 351.491 0.842 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423728070 247128890 /nfs/dbraw/zinc/12/88/90/247128890.db2.gz MGFHUIHPLTUTNB-MRXNPFEDSA-N 2 2 354.401 0.635 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423728070 247128894 /nfs/dbraw/zinc/12/88/94/247128894.db2.gz MGFHUIHPLTUTNB-MRXNPFEDSA-N 2 2 354.401 0.635 20 0 FCADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423734039 247132542 /nfs/dbraw/zinc/13/25/42/247132542.db2.gz ANKBLTDRUKLICC-PBHICJAKSA-N 2 2 362.449 0.899 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424509287 247244848 /nfs/dbraw/zinc/24/48/48/247244848.db2.gz QCNKMRUCZZIBPG-WCQYABFASA-N 2 2 357.405 0.305 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424525857 247250483 /nfs/dbraw/zinc/25/04/83/247250483.db2.gz RIZMVJYKIJRJIH-OLZOCXBDSA-N 2 2 358.433 0.481 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000424525857 247250484 /nfs/dbraw/zinc/25/04/84/247250484.db2.gz RIZMVJYKIJRJIH-OLZOCXBDSA-N 2 2 358.433 0.481 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)C[C@H]2[NH3+])cn1 ZINC000424549638 247259359 /nfs/dbraw/zinc/25/93/59/247259359.db2.gz RWPXMFYZAUMWJV-ZNMIVQPWSA-N 2 2 371.445 0.150 20 0 FCADLP CN(C(=O)[C@]1(C)C[C@H]1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000424657372 247268677 /nfs/dbraw/zinc/26/86/77/247268677.db2.gz ZYMCNZUOXBIJEU-CRAIPNDOSA-N 2 2 354.470 0.431 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)n1C ZINC000425330300 247326186 /nfs/dbraw/zinc/32/61/86/247326186.db2.gz ALWNIGSAQZZKJQ-UHFFFAOYSA-N 2 2 352.460 0.542 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1C ZINC000435625507 248003798 /nfs/dbraw/zinc/00/37/98/248003798.db2.gz LXHBJNPZVAWBHX-OAHLLOKOSA-N 2 2 368.503 0.916 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1C ZINC000435625507 248003800 /nfs/dbraw/zinc/00/38/00/248003800.db2.gz LXHBJNPZVAWBHX-OAHLLOKOSA-N 2 2 368.503 0.916 20 0 FCADLP CCCS(=O)(=O)CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435562560 248001057 /nfs/dbraw/zinc/00/10/57/248001057.db2.gz HDIQYOLHDZOORB-AWEZNQCLSA-N 2 2 368.503 0.716 20 0 FCADLP CC[C@](C)(OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000435679070 248007975 /nfs/dbraw/zinc/00/79/75/248007975.db2.gz VPGPBSADCOSQHJ-IBGZPJMESA-N 2 2 368.522 0.498 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1F ZINC000436062253 248030891 /nfs/dbraw/zinc/03/08/91/248030891.db2.gz VOQUVBFEHBCAHT-HNNXBMFYSA-N 2 2 350.438 0.761 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1F ZINC000436062253 248030896 /nfs/dbraw/zinc/03/08/96/248030896.db2.gz VOQUVBFEHBCAHT-HNNXBMFYSA-N 2 2 350.438 0.761 20 0 FCADLP CNC(=O)Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cs1 ZINC000436058968 248031033 /nfs/dbraw/zinc/03/10/33/248031033.db2.gz MFEKHDZBYZPWOZ-CYBMUJFWSA-N 2 2 353.492 0.251 20 0 FCADLP CNC(=O)Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cs1 ZINC000436058968 248031037 /nfs/dbraw/zinc/03/10/37/248031037.db2.gz MFEKHDZBYZPWOZ-CYBMUJFWSA-N 2 2 353.492 0.251 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000436059053 248031356 /nfs/dbraw/zinc/03/13/56/248031356.db2.gz JVXVQRVOWFDDIU-IAGOWNOFSA-N 2 2 374.485 0.426 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000436059053 248031359 /nfs/dbraw/zinc/03/13/59/248031359.db2.gz JVXVQRVOWFDDIU-IAGOWNOFSA-N 2 2 374.485 0.426 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1C ZINC000442768845 248295325 /nfs/dbraw/zinc/29/53/25/248295325.db2.gz UPEDPTFRLNDOFY-OLZOCXBDSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1C ZINC000442768845 248295327 /nfs/dbraw/zinc/29/53/27/248295327.db2.gz UPEDPTFRLNDOFY-OLZOCXBDSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1C ZINC000442768844 248295592 /nfs/dbraw/zinc/29/55/92/248295592.db2.gz UPEDPTFRLNDOFY-CHWSQXEVSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1C ZINC000442768844 248295594 /nfs/dbraw/zinc/29/55/94/248295594.db2.gz UPEDPTFRLNDOFY-CHWSQXEVSA-N 2 2 354.476 0.511 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000442759881 248296231 /nfs/dbraw/zinc/29/62/31/248296231.db2.gz FJFLFVZKTAEUOQ-HZSPNIEDSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000442759881 248296234 /nfs/dbraw/zinc/29/62/34/248296234.db2.gz FJFLFVZKTAEUOQ-HZSPNIEDSA-N 2 2 350.438 0.788 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777682 248297492 /nfs/dbraw/zinc/29/74/92/248297492.db2.gz JNTILDKYSXDBPU-PBWFPOADSA-N 2 2 366.487 0.796 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777682 248297494 /nfs/dbraw/zinc/29/74/94/248297494.db2.gz JNTILDKYSXDBPU-PBWFPOADSA-N 2 2 366.487 0.796 20 0 FCADLP C[N@H+]1CCN(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1(C)C ZINC000442878698 248299282 /nfs/dbraw/zinc/29/92/82/248299282.db2.gz ZQKQRZIZAQFUAS-UHFFFAOYSA-N 3 2 367.582 0.399 20 0 FCADLP C[N@@H+]1CCN(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1(C)C ZINC000442878698 248299286 /nfs/dbraw/zinc/29/92/86/248299286.db2.gz ZQKQRZIZAQFUAS-UHFFFAOYSA-N 3 2 367.582 0.399 20 0 FCADLP C[N@H+]1CCN(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1(C)C ZINC000442878698 248299287 /nfs/dbraw/zinc/29/92/87/248299287.db2.gz ZQKQRZIZAQFUAS-UHFFFAOYSA-N 3 2 367.582 0.399 20 0 FCADLP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](C)O ZINC000443324707 248320734 /nfs/dbraw/zinc/32/07/34/248320734.db2.gz YNVDQCCHLBPYJZ-CABCVRRESA-N 2 2 355.504 0.456 20 0 FCADLP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](C)O ZINC000443324707 248320735 /nfs/dbraw/zinc/32/07/35/248320735.db2.gz YNVDQCCHLBPYJZ-CABCVRRESA-N 2 2 355.504 0.456 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000453928857 249388183 /nfs/dbraw/zinc/38/81/83/249388183.db2.gz HGJYXRZSSZUQGS-OKILXGFUSA-N 2 2 359.430 0.495 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000453928857 249388187 /nfs/dbraw/zinc/38/81/87/249388187.db2.gz HGJYXRZSSZUQGS-OKILXGFUSA-N 2 2 359.430 0.495 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000270650101 211241520 /nfs/dbraw/zinc/24/15/20/211241520.db2.gz LRUVCTSNDQMSQV-UHFFFAOYSA-N 2 2 357.462 0.640 20 0 FCADLP C[C@]1(n2cc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881706 250009764 /nfs/dbraw/zinc/00/97/64/250009764.db2.gz QRADTPYZNZQDNS-YVSFHVDLSA-N 2 2 352.504 0.976 20 0 FCADLP C[C@]1(n2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881706 250009767 /nfs/dbraw/zinc/00/97/67/250009767.db2.gz QRADTPYZNZQDNS-YVSFHVDLSA-N 2 2 352.504 0.976 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000270329887 211186102 /nfs/dbraw/zinc/18/61/02/211186102.db2.gz LNUPXEOVVBOMLK-HNNXBMFYSA-N 2 2 355.442 0.768 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000270329887 211186105 /nfs/dbraw/zinc/18/61/05/211186105.db2.gz LNUPXEOVVBOMLK-HNNXBMFYSA-N 2 2 355.442 0.768 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000470025121 250020106 /nfs/dbraw/zinc/02/01/06/250020106.db2.gz SJINKKGUICQSBM-UHFFFAOYSA-N 2 2 351.451 0.032 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000470025121 250020111 /nfs/dbraw/zinc/02/01/11/250020111.db2.gz SJINKKGUICQSBM-UHFFFAOYSA-N 2 2 351.451 0.032 20 0 FCADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCOCC2 ZINC000469783022 250003509 /nfs/dbraw/zinc/00/35/09/250003509.db2.gz IQTXKOWGRWPVLY-RTBURBONSA-N 2 2 369.550 0.940 20 0 FCADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000470070947 250023770 /nfs/dbraw/zinc/02/37/70/250023770.db2.gz IGIARMVGMBKOLD-CYBMUJFWSA-N 2 2 360.462 0.563 20 0 FCADLP C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000470070947 250023773 /nfs/dbraw/zinc/02/37/73/250023773.db2.gz IGIARMVGMBKOLD-CYBMUJFWSA-N 2 2 360.462 0.563 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000470724473 250058491 /nfs/dbraw/zinc/05/84/91/250058491.db2.gz UDXJIBOOAWXSHO-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000470724473 250058496 /nfs/dbraw/zinc/05/84/96/250058496.db2.gz UDXJIBOOAWXSHO-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC(=O)Nc1ccncc1 ZINC000470818651 250065556 /nfs/dbraw/zinc/06/55/56/250065556.db2.gz BDLMQGJYGYFTOR-HOCLYGCPSA-N 2 2 360.437 0.720 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000470818651 250065558 /nfs/dbraw/zinc/06/55/58/250065558.db2.gz BDLMQGJYGYFTOR-HOCLYGCPSA-N 2 2 360.437 0.720 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NCCOCC[NH+](C)C)c[nH+]2)CCO1 ZINC000471645545 250111293 /nfs/dbraw/zinc/11/12/93/250111293.db2.gz YQMNGELMBIVWLQ-HNNXBMFYSA-N 2 2 365.478 0.684 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471648008 250112123 /nfs/dbraw/zinc/11/21/23/250112123.db2.gz KGWMZLJDVGFHIC-SFHVURJKSA-N 2 2 364.490 0.765 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471648008 250112126 /nfs/dbraw/zinc/11/21/26/250112126.db2.gz KGWMZLJDVGFHIC-SFHVURJKSA-N 2 2 364.490 0.765 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c[nH+]2)CCO1 ZINC000269837360 211095173 /nfs/dbraw/zinc/09/51/73/211095173.db2.gz BBCZCWOVTRFYHB-RDTXWAMCSA-N 2 2 365.478 0.419 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000472784954 250180455 /nfs/dbraw/zinc/18/04/55/250180455.db2.gz HCIKQUBNVPXHEL-CQSZACIVSA-N 2 2 351.499 0.311 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000472784954 250180459 /nfs/dbraw/zinc/18/04/59/250180459.db2.gz HCIKQUBNVPXHEL-CQSZACIVSA-N 2 2 351.499 0.311 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000473118901 250201482 /nfs/dbraw/zinc/20/14/82/250201482.db2.gz LJMXKHWTSLTDPF-ZDUSSCGKSA-N 2 2 351.451 0.274 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000473118901 250201484 /nfs/dbraw/zinc/20/14/84/250201484.db2.gz LJMXKHWTSLTDPF-ZDUSSCGKSA-N 2 2 351.451 0.274 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000481021114 250309573 /nfs/dbraw/zinc/30/95/73/250309573.db2.gz XPGWCWZNPMCLGF-AWEZNQCLSA-N 2 2 371.416 0.981 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000481021114 250309577 /nfs/dbraw/zinc/30/95/77/250309577.db2.gz XPGWCWZNPMCLGF-AWEZNQCLSA-N 2 2 371.416 0.981 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000481316370 250329599 /nfs/dbraw/zinc/32/95/99/250329599.db2.gz XHGROIHQWLJJFH-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000481316370 250329603 /nfs/dbraw/zinc/32/96/03/250329603.db2.gz XHGROIHQWLJJFH-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000482624625 250396454 /nfs/dbraw/zinc/39/64/54/250396454.db2.gz AFJQFFJUPMOTTJ-HOCLYGCPSA-N 2 2 371.503 0.281 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853881 250367872 /nfs/dbraw/zinc/36/78/72/250367872.db2.gz DRWIVJHFBMKPRO-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853881 250367876 /nfs/dbraw/zinc/36/78/76/250367876.db2.gz DRWIVJHFBMKPRO-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000481879889 250369745 /nfs/dbraw/zinc/36/97/45/250369745.db2.gz RGEUHURDGOQTJG-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481879889 250369749 /nfs/dbraw/zinc/36/97/49/250369749.db2.gz RGEUHURDGOQTJG-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000481878643 250369845 /nfs/dbraw/zinc/36/98/45/250369845.db2.gz HFSNUBZWXNCELL-YYIAUSFCSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000481878643 250369848 /nfs/dbraw/zinc/36/98/48/250369848.db2.gz HFSNUBZWXNCELL-YYIAUSFCSA-N 2 2 368.522 0.448 20 0 FCADLP CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000482005336 250375075 /nfs/dbraw/zinc/37/50/75/250375075.db2.gz KOSVMUKGRKKRGE-OAHLLOKOSA-N 2 2 374.551 0.190 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000482157618 250377999 /nfs/dbraw/zinc/37/79/99/250377999.db2.gz MIGQHESXQGSOTB-IAGOWNOFSA-N 2 2 368.522 0.452 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000482157618 250378004 /nfs/dbraw/zinc/37/80/04/250378004.db2.gz MIGQHESXQGSOTB-IAGOWNOFSA-N 2 2 368.522 0.452 20 0 FCADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181037384 209106275 /nfs/dbraw/zinc/10/62/75/209106275.db2.gz MFUQUNZAADIPGX-RBUKOAKNSA-N 2 2 361.486 0.767 20 0 FCADLP C[N@H+](CCN1CC[NH+](CCNS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000066534087 208017697 /nfs/dbraw/zinc/01/76/97/208017697.db2.gz WVQQRNJFIGJRSU-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP C[N@@H+](CCN1CC[NH+](CCNS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000066534087 208017703 /nfs/dbraw/zinc/01/77/03/208017703.db2.gz WVQQRNJFIGJRSU-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCCCOC)CC2)CC1 ZINC000066666868 208018340 /nfs/dbraw/zinc/01/83/40/208018340.db2.gz JNJGPVHJVDNAAE-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC000066880740 208020781 /nfs/dbraw/zinc/02/07/81/208020781.db2.gz OJCKJAOJNOGQGV-HNNXBMFYSA-N 2 2 374.551 0.285 20 0 FCADLP NC(=O)NC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000081542443 208101332 /nfs/dbraw/zinc/10/13/32/208101332.db2.gz UUSSOUWEQYMXHT-UHFFFAOYSA-N 2 2 360.462 0.253 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000077344125 208071810 /nfs/dbraw/zinc/07/18/10/208071810.db2.gz GMSUHNLFSTVLEY-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000079471000 208089519 /nfs/dbraw/zinc/08/95/19/208089519.db2.gz JWNRQBSDJOANLO-CRAIPNDOSA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000079471000 208089522 /nfs/dbraw/zinc/08/95/22/208089522.db2.gz JWNRQBSDJOANLO-CRAIPNDOSA-N 2 2 368.547 0.978 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@@H+]1C1CC1 ZINC000090081329 208128467 /nfs/dbraw/zinc/12/84/67/208128467.db2.gz UGKNIFNTGNNWTB-HIFRSBDPSA-N 2 2 367.519 0.788 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@H+]1C1CC1 ZINC000090081329 208128473 /nfs/dbraw/zinc/12/84/73/208128473.db2.gz UGKNIFNTGNNWTB-HIFRSBDPSA-N 2 2 367.519 0.788 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083736848 208108564 /nfs/dbraw/zinc/10/85/64/208108564.db2.gz TWOQRSAUANBIAT-GOSISDBHSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000101640048 208164587 /nfs/dbraw/zinc/16/45/87/208164587.db2.gz NRLVZKUJYFFCSV-LJQANCHMSA-N 2 2 373.545 0.951 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)CC1 ZINC000093133115 208154655 /nfs/dbraw/zinc/15/46/55/208154655.db2.gz PCMMCSVCPZQHHW-IBGZPJMESA-N 3 2 373.549 0.440 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)CC1 ZINC000093133115 208154669 /nfs/dbraw/zinc/15/46/69/208154669.db2.gz PCMMCSVCPZQHHW-IBGZPJMESA-N 3 2 373.549 0.440 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000105137439 208193829 /nfs/dbraw/zinc/19/38/29/208193829.db2.gz PJJVGUMRNFVQTC-UHFFFAOYSA-N 2 2 362.478 0.783 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000112215885 208293411 /nfs/dbraw/zinc/29/34/11/208293411.db2.gz GCDDGAGFIUZFLN-KZNAEPCWSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216012 208293475 /nfs/dbraw/zinc/29/34/75/208293475.db2.gz PNAQUHYLJFDBDV-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112216012 208293481 /nfs/dbraw/zinc/29/34/81/208293481.db2.gz PNAQUHYLJFDBDV-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCS(=O)(=O)CC)CC2)CC1 ZINC000118399098 208351302 /nfs/dbraw/zinc/35/13/02/208351302.db2.gz JBOXQOWUWBXLFP-UHFFFAOYSA-N 2 2 359.536 0.687 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000266712973 210386887 /nfs/dbraw/zinc/38/68/87/210386887.db2.gz IMDHZVVEHLLOEN-GOSISDBHSA-N 2 2 359.518 0.631 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000266712973 210386890 /nfs/dbraw/zinc/38/68/90/210386890.db2.gz IMDHZVVEHLLOEN-GOSISDBHSA-N 2 2 359.518 0.631 20 0 FCADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266495005 210345543 /nfs/dbraw/zinc/34/55/43/210345543.db2.gz UFGDNYXSOZTASH-SFHVURJKSA-N 2 2 369.469 0.970 20 0 FCADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266495005 210345547 /nfs/dbraw/zinc/34/55/47/210345547.db2.gz UFGDNYXSOZTASH-SFHVURJKSA-N 2 2 369.469 0.970 20 0 FCADLP Cn1cc[nH+]c1N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000266517692 210348785 /nfs/dbraw/zinc/34/87/85/210348785.db2.gz YWJINIQTTCEVLQ-UHFFFAOYSA-N 2 2 369.473 0.286 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180492783 209097064 /nfs/dbraw/zinc/09/70/64/209097064.db2.gz YTTSOKXHVBPSKQ-SFHVURJKSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180492783 209097068 /nfs/dbraw/zinc/09/70/68/209097068.db2.gz YTTSOKXHVBPSKQ-SFHVURJKSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180492803 209095574 /nfs/dbraw/zinc/09/55/74/209095574.db2.gz YTTSOKXHVBPSKQ-GOSISDBHSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180492803 209095578 /nfs/dbraw/zinc/09/55/78/209095578.db2.gz YTTSOKXHVBPSKQ-GOSISDBHSA-N 2 2 362.474 0.385 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177602664 209030307 /nfs/dbraw/zinc/03/03/07/209030307.db2.gz BQHBWODOJRHCEI-CQSZACIVSA-N 2 2 368.503 0.362 20 0 FCADLP CCc1nc(CN2CC[NH+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)no1 ZINC000177299284 209021255 /nfs/dbraw/zinc/02/12/55/209021255.db2.gz MNEVMFYUTHCHFR-HNNXBMFYSA-N 2 2 364.494 0.302 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccccc1C(N)=O ZINC000177378112 209022930 /nfs/dbraw/zinc/02/29/30/209022930.db2.gz KTQYVAHOIOKHRW-UHFFFAOYSA-N 2 2 361.490 0.682 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccccc1C(N)=O ZINC000177378112 209022935 /nfs/dbraw/zinc/02/29/35/209022935.db2.gz KTQYVAHOIOKHRW-UHFFFAOYSA-N 2 2 361.490 0.682 20 0 FCADLP CN(CC[N@H+](C)CC(=O)Nc1ccccc1C(N)=O)C1CC[NH+](C)CC1 ZINC000177378112 209022939 /nfs/dbraw/zinc/02/29/39/209022939.db2.gz KTQYVAHOIOKHRW-UHFFFAOYSA-N 2 2 361.490 0.682 20 0 FCADLP CN(CC[N@@H+](C)CC(=O)Nc1ccccc1C(N)=O)C1CC[NH+](C)CC1 ZINC000177378112 209022941 /nfs/dbraw/zinc/02/29/41/209022941.db2.gz KTQYVAHOIOKHRW-UHFFFAOYSA-N 2 2 361.490 0.682 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177602644 209029163 /nfs/dbraw/zinc/02/91/63/209029163.db2.gz BQHBWODOJRHCEI-AWEZNQCLSA-N 2 2 368.503 0.362 20 0 FCADLP NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177103612 209015740 /nfs/dbraw/zinc/01/57/40/209015740.db2.gz KVAITVSVYBLFRU-ZDUSSCGKSA-N 2 2 350.448 0.272 20 0 FCADLP NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177103612 209015745 /nfs/dbraw/zinc/01/57/45/209015745.db2.gz KVAITVSVYBLFRU-ZDUSSCGKSA-N 2 2 350.448 0.272 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178247987 209045767 /nfs/dbraw/zinc/04/57/67/209045767.db2.gz RPYNDAAKINZWHT-GOEBONIOSA-N 2 2 360.458 0.826 20 0 FCADLP C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000177757191 209034881 /nfs/dbraw/zinc/03/48/81/209034881.db2.gz XQHGUKLSHJGQGS-CVEARBPZSA-N 2 2 362.478 0.640 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115890 209041301 /nfs/dbraw/zinc/04/13/01/209041301.db2.gz TXUOWMSCFJLEDP-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115890 209041304 /nfs/dbraw/zinc/04/13/04/209041304.db2.gz TXUOWMSCFJLEDP-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115890 209041306 /nfs/dbraw/zinc/04/13/06/209041306.db2.gz TXUOWMSCFJLEDP-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115890 209041310 /nfs/dbraw/zinc/04/13/10/209041310.db2.gz TXUOWMSCFJLEDP-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP [NH3+]C1(C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CCCC1 ZINC000178770041 209059246 /nfs/dbraw/zinc/05/92/46/209059246.db2.gz ZIXDENPIGLBQQW-UHFFFAOYSA-N 2 2 362.449 0.971 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178191034 209046829 /nfs/dbraw/zinc/04/68/29/209046829.db2.gz PQXHKNMISQXFCK-INIZCTEOSA-N 2 2 370.457 0.782 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178191034 209046831 /nfs/dbraw/zinc/04/68/31/209046831.db2.gz PQXHKNMISQXFCK-INIZCTEOSA-N 2 2 370.457 0.782 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000932273394 674175594 /nfs/dbraw/zinc/17/55/94/674175594.db2.gz PMLDZRHTEGVAIV-KSZLIROESA-N 2 2 351.491 0.953 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNC(=O)CN3CC[NH2+]CC3=O)CC2)oc1C ZINC000168628908 229205462 /nfs/dbraw/zinc/20/54/62/229205462.db2.gz BRBIQCMVLURBKP-UHFFFAOYSA-N 2 2 363.462 0.051 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000175791059 229215003 /nfs/dbraw/zinc/21/50/03/229215003.db2.gz SOJLGWWIUHXJBP-HZPDHXFCSA-N 2 2 358.527 0.687 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246013586 229277771 /nfs/dbraw/zinc/27/77/71/229277771.db2.gz ZVLCTFFOFJNSND-ILXRZTDVSA-N 2 2 368.503 0.366 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246013586 229277774 /nfs/dbraw/zinc/27/77/74/229277774.db2.gz ZVLCTFFOFJNSND-ILXRZTDVSA-N 2 2 368.503 0.366 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000410444393 230082899 /nfs/dbraw/zinc/08/28/99/230082899.db2.gz HXQOBWCWBQMLKX-QLFBSQMISA-N 2 2 363.462 0.377 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000410444393 230082900 /nfs/dbraw/zinc/08/29/00/230082900.db2.gz HXQOBWCWBQMLKX-QLFBSQMISA-N 2 2 363.462 0.377 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000410474231 230093175 /nfs/dbraw/zinc/09/31/75/230093175.db2.gz KRTYVYMUSODVOI-GOSISDBHSA-N 2 2 372.513 0.926 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000410474231 230093178 /nfs/dbraw/zinc/09/31/78/230093178.db2.gz KRTYVYMUSODVOI-GOSISDBHSA-N 2 2 372.513 0.926 20 0 FCADLP O=C(C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410489696 230100829 /nfs/dbraw/zinc/10/08/29/230100829.db2.gz AMCNMZLFCNKMER-INIZCTEOSA-N 2 2 374.489 0.141 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410496154 230103496 /nfs/dbraw/zinc/10/34/96/230103496.db2.gz DAFCAXMMXBPFAE-INIZCTEOSA-N 2 2 364.446 0.098 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000410638089 230166097 /nfs/dbraw/zinc/16/60/97/230166097.db2.gz ZVTNGJSWXAAQQT-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000410638089 230166100 /nfs/dbraw/zinc/16/61/00/230166100.db2.gz ZVTNGJSWXAAQQT-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000410638089 230166104 /nfs/dbraw/zinc/16/61/04/230166104.db2.gz ZVTNGJSWXAAQQT-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000410638089 230166106 /nfs/dbraw/zinc/16/61/06/230166106.db2.gz ZVTNGJSWXAAQQT-GEEKYZPCSA-N 2 2 354.495 0.105 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410731859 230221301 /nfs/dbraw/zinc/22/13/01/230221301.db2.gz IHKRAVNXPDHKDC-JXFKEZNVSA-N 2 2 373.501 0.755 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410731859 230221307 /nfs/dbraw/zinc/22/13/07/230221307.db2.gz IHKRAVNXPDHKDC-JXFKEZNVSA-N 2 2 373.501 0.755 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410885028 230289400 /nfs/dbraw/zinc/28/94/00/230289400.db2.gz CYBAUNUQAQSECD-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP O=C(C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410918093 230304913 /nfs/dbraw/zinc/30/49/13/230304913.db2.gz XSKZUZIVEJXSQK-WBVHZDCISA-N 2 2 356.426 0.534 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)CC2)c1 ZINC000278290113 488866055 /nfs/dbraw/zinc/86/60/55/488866055.db2.gz ACDQOBBZDYJCPI-ZDUSSCGKSA-N 2 2 356.430 0.853 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278313907 488867797 /nfs/dbraw/zinc/86/77/97/488867797.db2.gz IHDYZOWSYSOJGV-CYBMUJFWSA-N 2 2 350.419 0.646 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278313907 488867799 /nfs/dbraw/zinc/86/77/99/488867799.db2.gz IHDYZOWSYSOJGV-CYBMUJFWSA-N 2 2 350.419 0.646 20 0 FCADLP CNC(=O)Cn1nc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000503979292 484177927 /nfs/dbraw/zinc/17/79/27/484177927.db2.gz BNHBQSIETOTZRH-UHFFFAOYSA-N 2 2 365.482 0.085 20 0 FCADLP CN1CCN(c2cc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)nc[nH+]2)CC1=O ZINC000363711470 488877446 /nfs/dbraw/zinc/87/74/46/488877446.db2.gz YVDZNGKTKPVYBV-HOTGVXAUSA-N 2 2 374.489 0.810 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301385663 488879961 /nfs/dbraw/zinc/87/99/61/488879961.db2.gz QDEBVJQCORCOAS-JKSUJKDBSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301385663 488879964 /nfs/dbraw/zinc/87/99/64/488879964.db2.gz QDEBVJQCORCOAS-JKSUJKDBSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301385660 488880245 /nfs/dbraw/zinc/88/02/45/488880245.db2.gz QDEBVJQCORCOAS-HOTGVXAUSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301385660 488880246 /nfs/dbraw/zinc/88/02/46/488880246.db2.gz QDEBVJQCORCOAS-HOTGVXAUSA-N 2 2 353.488 0.529 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363824828 488890054 /nfs/dbraw/zinc/89/00/54/488890054.db2.gz PNHJEZBRCIAVSD-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363824828 488890056 /nfs/dbraw/zinc/89/00/56/488890056.db2.gz PNHJEZBRCIAVSD-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302805447 488891617 /nfs/dbraw/zinc/89/16/17/488891617.db2.gz WQGFEBABQHHUCV-UHFFFAOYSA-N 2 2 350.492 0.240 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302805447 488891620 /nfs/dbraw/zinc/89/16/20/488891620.db2.gz WQGFEBABQHHUCV-UHFFFAOYSA-N 2 2 350.492 0.240 20 0 FCADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000278761129 488894570 /nfs/dbraw/zinc/89/45/70/488894570.db2.gz XUMZOMCCOIKBSX-UHFFFAOYSA-N 2 2 360.458 0.972 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000287734647 488899626 /nfs/dbraw/zinc/89/96/26/488899626.db2.gz KQSXFGPZNRXBLX-MRXNPFEDSA-N 2 2 373.501 0.887 20 0 FCADLP COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363914938 488900193 /nfs/dbraw/zinc/90/01/93/488900193.db2.gz YPALZQNRMUOPQH-OAHLLOKOSA-N 2 2 360.458 0.918 20 0 FCADLP COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363914938 488900195 /nfs/dbraw/zinc/90/01/95/488900195.db2.gz YPALZQNRMUOPQH-OAHLLOKOSA-N 2 2 360.458 0.918 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278945494 488906443 /nfs/dbraw/zinc/90/64/43/488906443.db2.gz GOUYTMNTFPIWIS-HUUCEWRRSA-N 2 2 374.489 0.255 20 0 FCADLP Cc1nn(C)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1Br ZINC000279030154 488911798 /nfs/dbraw/zinc/91/17/98/488911798.db2.gz BHMKOKLWHQWXRR-NSHDSACASA-N 2 2 358.284 0.920 20 0 FCADLP Cc1nn(C)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1Br ZINC000279030154 488911801 /nfs/dbraw/zinc/91/18/01/488911801.db2.gz BHMKOKLWHQWXRR-NSHDSACASA-N 2 2 358.284 0.920 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000364048083 488917944 /nfs/dbraw/zinc/91/79/44/488917944.db2.gz NOGAWZXVCGJLTN-WMZOPIPTSA-N 2 2 371.547 0.987 20 0 FCADLP CCOCCOCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364064376 488920035 /nfs/dbraw/zinc/92/00/35/488920035.db2.gz VEFYLHBCCOOOLE-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP CCOCCOCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364064376 488920037 /nfs/dbraw/zinc/92/00/37/488920037.db2.gz VEFYLHBCCOOOLE-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364150755 488928296 /nfs/dbraw/zinc/92/82/96/488928296.db2.gz PARAZDRUKLBIGV-YQQAZPJKSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364150755 488928300 /nfs/dbraw/zinc/92/83/00/488928300.db2.gz PARAZDRUKLBIGV-YQQAZPJKSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3OCC(N)=O)C2)CC1 ZINC000364206098 488934838 /nfs/dbraw/zinc/93/48/38/488934838.db2.gz JEMBUYVZDHBEJR-CQSZACIVSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3OCC(N)=O)C2)CC1 ZINC000364206098 488934840 /nfs/dbraw/zinc/93/48/40/488934840.db2.gz JEMBUYVZDHBEJR-CQSZACIVSA-N 2 2 360.458 0.449 20 0 FCADLP NC(=O)C1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000020940965 487614105 /nfs/dbraw/zinc/61/41/05/487614105.db2.gz VTDLZPACEJMSQU-UHFFFAOYSA-N 2 2 374.485 0.332 20 0 FCADLP C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000042288946 487861350 /nfs/dbraw/zinc/86/13/50/487861350.db2.gz YNWZUYOVVKMDLC-AWEZNQCLSA-N 2 2 357.462 0.886 20 0 FCADLP C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000042288946 487861352 /nfs/dbraw/zinc/86/13/52/487861352.db2.gz YNWZUYOVVKMDLC-AWEZNQCLSA-N 2 2 357.462 0.886 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCNC(=O)CC3)CC2)cc1 ZINC000042570363 487868655 /nfs/dbraw/zinc/86/86/55/487868655.db2.gz ZZODMCONUAVPMI-UHFFFAOYSA-N 2 2 374.485 0.551 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCNC(=O)CC3)CC2)cc1 ZINC000042570363 487868657 /nfs/dbraw/zinc/86/86/57/487868657.db2.gz ZZODMCONUAVPMI-UHFFFAOYSA-N 2 2 374.485 0.551 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000042570363 487868661 /nfs/dbraw/zinc/86/86/61/487868661.db2.gz ZZODMCONUAVPMI-UHFFFAOYSA-N 2 2 374.485 0.551 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000042570363 487868663 /nfs/dbraw/zinc/86/86/63/487868663.db2.gz ZZODMCONUAVPMI-UHFFFAOYSA-N 2 2 374.485 0.551 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043310458 487897694 /nfs/dbraw/zinc/89/76/94/487897694.db2.gz MSHLQHYZXZJTRP-UHFFFAOYSA-N 2 2 355.406 0.092 20 0 FCADLP O=C(NCCC[NH+]1CCCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000045121730 487931492 /nfs/dbraw/zinc/93/14/92/487931492.db2.gz JEWTWASSUATMFS-KRWDZBQOSA-N 2 2 356.536 0.979 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)C2CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000045327989 487935964 /nfs/dbraw/zinc/93/59/64/487935964.db2.gz AKSAFWNBHLGGJM-UHFFFAOYSA-N 2 2 371.485 0.675 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)CC1 ZINC000050800636 488115393 /nfs/dbraw/zinc/11/53/93/488115393.db2.gz TVDVBYVECZDUKT-CQSZACIVSA-N 2 2 351.495 0.452 20 0 FCADLP CC(C)C(=O)NCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051267906 488129144 /nfs/dbraw/zinc/12/91/44/488129144.db2.gz BISBOHJBFGJRMZ-UHFFFAOYSA-N 2 2 353.511 0.616 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000051762503 488144447 /nfs/dbraw/zinc/14/44/47/488144447.db2.gz HWOOUAYNTHYLTO-INIZCTEOSA-N 2 2 353.438 0.409 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000279778777 488968157 /nfs/dbraw/zinc/96/81/57/488968157.db2.gz SZVWCJVWZNKHRS-OAHLLOKOSA-N 2 2 355.446 0.639 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000279778777 488968160 /nfs/dbraw/zinc/96/81/60/488968160.db2.gz SZVWCJVWZNKHRS-OAHLLOKOSA-N 2 2 355.446 0.639 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000054171193 488218799 /nfs/dbraw/zinc/21/87/99/488218799.db2.gz SXMOYPKBMYJUBR-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119606 488971173 /nfs/dbraw/zinc/97/11/73/488971173.db2.gz VLFPNEGPQSECNB-HZPDHXFCSA-N 2 2 362.478 0.916 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119606 488971175 /nfs/dbraw/zinc/97/11/75/488971175.db2.gz VLFPNEGPQSECNB-HZPDHXFCSA-N 2 2 362.478 0.916 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063759357 488308218 /nfs/dbraw/zinc/30/82/18/488308218.db2.gz QZJJOQQCROJHLC-UHFFFAOYSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063759357 488308219 /nfs/dbraw/zinc/30/82/19/488308219.db2.gz QZJJOQQCROJHLC-UHFFFAOYSA-N 2 2 358.486 0.918 20 0 FCADLP O=C(CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CC[NH2+]CC1 ZINC000562814041 491191200 /nfs/dbraw/zinc/19/12/00/491191200.db2.gz AKZKWNFHPVIMRC-UHFFFAOYSA-N 2 2 374.489 0.540 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1cc[nH]n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000066973857 488342054 /nfs/dbraw/zinc/34/20/54/488342054.db2.gz IHEJNZYVYGNNKL-UHFFFAOYSA-N 2 2 350.448 0.046 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069428250 488372567 /nfs/dbraw/zinc/37/25/67/488372567.db2.gz UTGKHQBGMSESFY-CQSZACIVSA-N 2 2 364.494 0.679 20 0 FCADLP CC(C)(CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000069916907 488374432 /nfs/dbraw/zinc/37/44/32/488374432.db2.gz VAGTVPRKFISNSI-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000072831348 488383066 /nfs/dbraw/zinc/38/30/66/488383066.db2.gz VSHSYKKVELLNIF-FQEVSTJZSA-N 2 2 371.485 0.722 20 0 FCADLP O=C(CC[N@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000072831348 488383067 /nfs/dbraw/zinc/38/30/67/488383067.db2.gz VSHSYKKVELLNIF-FQEVSTJZSA-N 2 2 371.485 0.722 20 0 FCADLP CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000074286158 488389601 /nfs/dbraw/zinc/38/96/01/488389601.db2.gz GVUMNPORYFBYSW-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371576 488391685 /nfs/dbraw/zinc/39/16/85/488391685.db2.gz IEOMREFNMYFIIQ-MSOLQXFVSA-N 2 2 369.554 0.528 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371576 488391688 /nfs/dbraw/zinc/39/16/88/488391688.db2.gz IEOMREFNMYFIIQ-MSOLQXFVSA-N 2 2 369.554 0.528 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000569822255 491194939 /nfs/dbraw/zinc/19/49/39/491194939.db2.gz BGKUAQIAOZEPDW-OAGGEKHMSA-N 2 2 352.479 0.004 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000184824899 488398577 /nfs/dbraw/zinc/39/85/77/488398577.db2.gz ABSVHKHDKIQHSP-HUUCEWRRSA-N 2 2 357.462 0.866 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000185038953 488399024 /nfs/dbraw/zinc/39/90/24/488399024.db2.gz XURQJYZGQXWZSK-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000185038953 488399026 /nfs/dbraw/zinc/39/90/26/488399026.db2.gz XURQJYZGQXWZSK-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000185510335 488401880 /nfs/dbraw/zinc/40/18/80/488401880.db2.gz UODCYWNJXQQSMT-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000185510335 488401882 /nfs/dbraw/zinc/40/18/82/488401882.db2.gz UODCYWNJXQQSMT-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H](C)C[NH+]3CCOCC3)ccc2n1C ZINC000076315129 488403502 /nfs/dbraw/zinc/40/35/02/488403502.db2.gz GPQCJGUYVHSXDI-ZDUSSCGKSA-N 2 2 373.457 0.905 20 0 FCADLP CS(=O)(=O)N1CC(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000186004071 488403916 /nfs/dbraw/zinc/40/39/16/488403916.db2.gz FPTGVPWMMYJSME-UHFFFAOYSA-N 2 2 359.415 0.514 20 0 FCADLP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](CO)O1 ZINC000189183293 488414039 /nfs/dbraw/zinc/41/40/39/488414039.db2.gz UOSQFRMKTFUYEN-YOEHRIQHSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000189365183 488414708 /nfs/dbraw/zinc/41/47/08/488414708.db2.gz IDYJPDZUXXPWOY-CYBMUJFWSA-N 2 2 351.499 0.687 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000077644346 488416272 /nfs/dbraw/zinc/41/62/72/488416272.db2.gz VGWUISSIYLQYLQ-SFHVURJKSA-N 2 2 367.538 0.520 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000077644346 488416274 /nfs/dbraw/zinc/41/62/74/488416274.db2.gz VGWUISSIYLQYLQ-SFHVURJKSA-N 2 2 367.538 0.520 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000190141235 488416514 /nfs/dbraw/zinc/41/65/14/488416514.db2.gz HOODRVLCNRXVOA-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000190141235 488416515 /nfs/dbraw/zinc/41/65/15/488416515.db2.gz HOODRVLCNRXVOA-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000190141235 488416516 /nfs/dbraw/zinc/41/65/16/488416516.db2.gz HOODRVLCNRXVOA-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@H](C)O[C@H](CO)C2)C[C@H](CO)O1 ZINC000190141235 488416518 /nfs/dbraw/zinc/41/65/18/488416518.db2.gz HOODRVLCNRXVOA-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000078719915 488424988 /nfs/dbraw/zinc/42/49/88/488424988.db2.gz LGAVMRYPSOTRII-MRXNPFEDSA-N 2 2 359.536 0.876 20 0 FCADLP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000078719915 488424990 /nfs/dbraw/zinc/42/49/90/488424990.db2.gz LGAVMRYPSOTRII-MRXNPFEDSA-N 2 2 359.536 0.876 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079066520 488426626 /nfs/dbraw/zinc/42/66/26/488426626.db2.gz ISLKBWXPAMQDGJ-QGZVFWFLSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000079066520 488426627 /nfs/dbraw/zinc/42/66/27/488426627.db2.gz ISLKBWXPAMQDGJ-QGZVFWFLSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000079100711 488427490 /nfs/dbraw/zinc/42/74/90/488427490.db2.gz CPPDEOXUWABPFF-GOSISDBHSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCOCC1 ZINC000079100711 488427493 /nfs/dbraw/zinc/42/74/93/488427493.db2.gz CPPDEOXUWABPFF-GOSISDBHSA-N 2 2 369.554 0.668 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000193801151 488429628 /nfs/dbraw/zinc/42/96/28/488429628.db2.gz AURLJUYACMGTRK-AWEZNQCLSA-N 2 2 355.866 0.786 20 0 FCADLP O=C(C[NH2+][C@H](CO)C1CCOCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000569842455 491197691 /nfs/dbraw/zinc/19/76/91/491197691.db2.gz IKFWZJQQTQGWCZ-QGZVFWFLSA-N 2 2 367.515 0.769 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554354513 491197762 /nfs/dbraw/zinc/19/77/62/491197762.db2.gz YRZVWUGONMGHSF-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554354513 491197764 /nfs/dbraw/zinc/19/77/64/491197764.db2.gz YRZVWUGONMGHSF-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000194891446 488434659 /nfs/dbraw/zinc/43/46/59/488434659.db2.gz LGDZPCASXKOTJB-AWEZNQCLSA-N 2 2 350.467 0.291 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000083700932 488447842 /nfs/dbraw/zinc/44/78/42/488447842.db2.gz LXYWBNLZOYGEPJ-KURKYZTESA-N 2 2 370.538 0.689 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083701499 488448239 /nfs/dbraw/zinc/44/82/39/488448239.db2.gz ULCAYHSTTTWKLW-MSOLQXFVSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083701499 488448240 /nfs/dbraw/zinc/44/82/40/488448240.db2.gz ULCAYHSTTTWKLW-MSOLQXFVSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085366367 488451419 /nfs/dbraw/zinc/45/14/19/488451419.db2.gz VFILHTHXRCAQHL-CABCVRRESA-N 2 2 367.538 0.957 20 0 FCADLP CC(C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000085861939 488452190 /nfs/dbraw/zinc/45/21/90/488452190.db2.gz DNGFFOKMSRFWGX-UHFFFAOYSA-N 2 2 361.486 0.968 20 0 FCADLP CC(C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000085861939 488452191 /nfs/dbraw/zinc/45/21/91/488452191.db2.gz DNGFFOKMSRFWGX-UHFFFAOYSA-N 2 2 361.486 0.968 20 0 FCADLP CC1CC[NH+](Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236629735 488453328 /nfs/dbraw/zinc/45/33/28/488453328.db2.gz CNEMYKSGYRPSQJ-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237423713 488455525 /nfs/dbraw/zinc/45/55/25/488455525.db2.gz PCAHUJJQGPWSOF-WBVHZDCISA-N 2 2 360.458 0.078 20 0 FCADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237590809 488456006 /nfs/dbraw/zinc/45/60/06/488456006.db2.gz MZRFFABOPVZMGU-UHFFFAOYSA-N 2 2 362.499 0.914 20 0 FCADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237608959 488456012 /nfs/dbraw/zinc/45/60/12/488456012.db2.gz DWZNOFJNDMJPPP-UHFFFAOYSA-N 2 2 362.499 0.914 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000238069354 488458027 /nfs/dbraw/zinc/45/80/27/488458027.db2.gz XBFAFFRROHYQBW-SFHVURJKSA-N 2 2 358.486 0.713 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000238069354 488458030 /nfs/dbraw/zinc/45/80/30/488458030.db2.gz XBFAFFRROHYQBW-SFHVURJKSA-N 2 2 358.486 0.713 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000089885693 488458038 /nfs/dbraw/zinc/45/80/38/488458038.db2.gz ZLHVFDPTDRZENJ-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000268939600 488458518 /nfs/dbraw/zinc/45/85/18/488458518.db2.gz KEULKQBWGWFQRF-INIZCTEOSA-N 2 2 370.457 0.782 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000268939600 488458519 /nfs/dbraw/zinc/45/85/19/488458519.db2.gz KEULKQBWGWFQRF-INIZCTEOSA-N 2 2 370.457 0.782 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000238118601 488458611 /nfs/dbraw/zinc/45/86/11/488458611.db2.gz KFIRCTAXMCHGBA-UHFFFAOYSA-N 2 2 362.499 0.648 20 0 FCADLP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000245897857 488466903 /nfs/dbraw/zinc/46/69/03/488466903.db2.gz KSGJDOXTJSIBCZ-MSOLQXFVSA-N 2 2 369.554 0.765 20 0 FCADLP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000245897857 488466905 /nfs/dbraw/zinc/46/69/05/488466905.db2.gz KSGJDOXTJSIBCZ-MSOLQXFVSA-N 2 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952431 488468235 /nfs/dbraw/zinc/46/82/35/488468235.db2.gz ZSVXKOVBXQVFJZ-MSOLQXFVSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952431 488468236 /nfs/dbraw/zinc/46/82/36/488468236.db2.gz ZSVXKOVBXQVFJZ-MSOLQXFVSA-N 3 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952431 488468238 /nfs/dbraw/zinc/46/82/38/488468238.db2.gz ZSVXKOVBXQVFJZ-MSOLQXFVSA-N 2 2 351.539 0.251 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000245952431 488468239 /nfs/dbraw/zinc/46/82/39/488468239.db2.gz ZSVXKOVBXQVFJZ-MSOLQXFVSA-N 2 2 351.539 0.251 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000246474949 488472930 /nfs/dbraw/zinc/47/29/30/488472930.db2.gz VOESHVBXEMXXCU-CABCVRRESA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000246474949 488472932 /nfs/dbraw/zinc/47/29/32/488472932.db2.gz VOESHVBXEMXXCU-CABCVRRESA-N 2 2 362.540 0.477 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246743841 488475557 /nfs/dbraw/zinc/47/55/57/488475557.db2.gz AHGZEKHOBKZIRS-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246743841 488475560 /nfs/dbraw/zinc/47/55/60/488475560.db2.gz AHGZEKHOBKZIRS-HZPDHXFCSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092921078 488476756 /nfs/dbraw/zinc/47/67/56/488476756.db2.gz LCIXGMKZSROPBS-CQSZACIVSA-N 2 2 370.461 0.377 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@]2(CCOC2)C1)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000246827203 488476834 /nfs/dbraw/zinc/47/68/34/488476834.db2.gz DQSWDFGRPQKLMG-QZTJIDSGSA-N 2 2 372.531 0.626 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@]2(CCOC2)C1)CC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000246827203 488476837 /nfs/dbraw/zinc/47/68/37/488476837.db2.gz DQSWDFGRPQKLMG-QZTJIDSGSA-N 2 2 372.531 0.626 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246932228 488478075 /nfs/dbraw/zinc/47/80/75/488478075.db2.gz XBJUHCSBMREFTE-IAGOWNOFSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246932228 488478078 /nfs/dbraw/zinc/47/80/78/488478078.db2.gz XBJUHCSBMREFTE-IAGOWNOFSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000246979557 488479870 /nfs/dbraw/zinc/47/98/70/488479870.db2.gz PSIRWUIVNMQASO-SQWLQELKSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000246979557 488479872 /nfs/dbraw/zinc/47/98/72/488479872.db2.gz PSIRWUIVNMQASO-SQWLQELKSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)[NH+]1CCOCC1 ZINC000269233353 488481164 /nfs/dbraw/zinc/48/11/64/488481164.db2.gz KFXLADVMQUGGJT-APWZRJJASA-N 2 2 371.485 0.638 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000269241012 488481557 /nfs/dbraw/zinc/48/15/57/488481557.db2.gz AIRDMIVBBYCRJH-OAHLLOKOSA-N 2 2 362.478 0.594 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000269241012 488481559 /nfs/dbraw/zinc/48/15/59/488481559.db2.gz AIRDMIVBBYCRJH-OAHLLOKOSA-N 2 2 362.478 0.594 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269260652 488484043 /nfs/dbraw/zinc/48/40/43/488484043.db2.gz VLVIZAUPDOSVPS-IBGZPJMESA-N 3 2 373.501 0.886 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269260652 488484046 /nfs/dbraw/zinc/48/40/46/488484046.db2.gz VLVIZAUPDOSVPS-IBGZPJMESA-N 3 2 373.501 0.886 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000247291585 488484141 /nfs/dbraw/zinc/48/41/41/488484141.db2.gz FCCHHMIAURXAFF-DLBZAZTESA-N 2 2 356.511 0.611 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000247291585 488484143 /nfs/dbraw/zinc/48/41/43/488484143.db2.gz FCCHHMIAURXAFF-DLBZAZTESA-N 2 2 356.511 0.611 20 0 FCADLP C[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1n1cc[nH+]c1 ZINC000247366765 488484808 /nfs/dbraw/zinc/48/48/08/488484808.db2.gz HNLQLPYDFICKRV-UONOGXRCSA-N 2 2 371.445 0.213 20 0 FCADLP C[C@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1n1cc[nH+]c1 ZINC000247366765 488484810 /nfs/dbraw/zinc/48/48/10/488484810.db2.gz HNLQLPYDFICKRV-UONOGXRCSA-N 2 2 371.445 0.213 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000248200269 488494402 /nfs/dbraw/zinc/49/44/02/488494402.db2.gz YLZPOSPNCRVHNE-NVXWUHKLSA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000248200269 488494405 /nfs/dbraw/zinc/49/44/05/488494405.db2.gz YLZPOSPNCRVHNE-NVXWUHKLSA-N 2 2 365.449 0.804 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101647040 488495625 /nfs/dbraw/zinc/49/56/25/488495625.db2.gz XGCIVEFDXGMDBA-ZACQAIPSSA-N 2 2 360.506 0.976 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000103168816 488500307 /nfs/dbraw/zinc/50/03/07/488500307.db2.gz VYUIYXSDGBGKKC-MRXNPFEDSA-N 2 2 367.515 0.866 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000103508117 488502400 /nfs/dbraw/zinc/50/24/00/488502400.db2.gz MPTSXBYGAAGQMP-AWEZNQCLSA-N 2 2 363.506 0.608 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104800427 488505636 /nfs/dbraw/zinc/50/56/36/488505636.db2.gz LDUYNSCLOOKWLW-OAHLLOKOSA-N 2 2 362.478 0.770 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000104800427 488505639 /nfs/dbraw/zinc/50/56/39/488505639.db2.gz LDUYNSCLOOKWLW-OAHLLOKOSA-N 2 2 362.478 0.770 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000249108387 488506263 /nfs/dbraw/zinc/50/62/63/488506263.db2.gz MBVDQHGAICAZOX-IAGOWNOFSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000249108387 488506265 /nfs/dbraw/zinc/50/62/65/488506265.db2.gz MBVDQHGAICAZOX-IAGOWNOFSA-N 2 2 370.538 0.830 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000569929889 491203877 /nfs/dbraw/zinc/20/38/77/491203877.db2.gz WDRJFEYBHNQGIM-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000569929889 491203879 /nfs/dbraw/zinc/20/38/79/491203879.db2.gz WDRJFEYBHNQGIM-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000249517996 488510999 /nfs/dbraw/zinc/51/09/99/488510999.db2.gz SPBJNYHPRUWVTJ-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000249517996 488511002 /nfs/dbraw/zinc/51/10/02/488511002.db2.gz SPBJNYHPRUWVTJ-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000249517996 488511005 /nfs/dbraw/zinc/51/10/05/488511005.db2.gz SPBJNYHPRUWVTJ-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000249517996 488511007 /nfs/dbraw/zinc/51/10/07/488511007.db2.gz SPBJNYHPRUWVTJ-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000249519207 488511213 /nfs/dbraw/zinc/51/12/13/488511213.db2.gz JWNRQBSDJOANLO-YJBOKZPZSA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000249519207 488511215 /nfs/dbraw/zinc/51/12/15/488511215.db2.gz JWNRQBSDJOANLO-YJBOKZPZSA-N 2 2 368.547 0.978 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000249745978 488514334 /nfs/dbraw/zinc/51/43/34/488514334.db2.gz ZQHCLEDUFGSVLI-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000249745978 488514338 /nfs/dbraw/zinc/51/43/38/488514338.db2.gz ZQHCLEDUFGSVLI-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000249745978 488514340 /nfs/dbraw/zinc/51/43/40/488514340.db2.gz ZQHCLEDUFGSVLI-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000249745978 488514342 /nfs/dbraw/zinc/51/43/42/488514342.db2.gz ZQHCLEDUFGSVLI-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000106557269 488514943 /nfs/dbraw/zinc/51/49/43/488514943.db2.gz FRRSGKYWOULFLL-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000271444204 488520404 /nfs/dbraw/zinc/52/04/04/488520404.db2.gz DTLZAVNDKZFCDI-GDBMZVCRSA-N 2 2 361.442 0.999 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000253550783 488521689 /nfs/dbraw/zinc/52/16/89/488521689.db2.gz XWIZNJKLHSMMPV-JQHSSLGASA-N 2 2 353.507 0.959 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000110626622 488526124 /nfs/dbraw/zinc/52/61/24/488526124.db2.gz HJJLZOGFFHOPTB-UHFFFAOYSA-N 2 2 374.485 0.365 20 0 FCADLP C[NH2+][C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261736159 488533791 /nfs/dbraw/zinc/53/37/91/488533791.db2.gz KCIATWNFYNSFRV-IBGZPJMESA-N 2 2 372.513 0.950 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261754064 488534612 /nfs/dbraw/zinc/53/46/12/488534612.db2.gz LJJXDHHWIIMPPZ-QGZVFWFLSA-N 2 2 352.504 0.884 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261754064 488534614 /nfs/dbraw/zinc/53/46/14/488534614.db2.gz LJJXDHHWIIMPPZ-QGZVFWFLSA-N 2 2 352.504 0.884 20 0 FCADLP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000261788486 488536217 /nfs/dbraw/zinc/53/62/17/488536217.db2.gz KDWQODUQBPNQDG-MSOLQXFVSA-N 2 2 361.486 0.960 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000261898965 488540760 /nfs/dbraw/zinc/54/07/60/488540760.db2.gz ADRTZVIWISRJDT-DYVFJYSZSA-N 2 2 360.458 0.699 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000261909897 488540998 /nfs/dbraw/zinc/54/09/98/488540998.db2.gz GOTKJWHIUPELKA-AWEZNQCLSA-N 2 2 355.446 0.402 20 0 FCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928221 488542522 /nfs/dbraw/zinc/54/25/22/488542522.db2.gz ZNSQKQBFJOHBEJ-OAQYLSRUSA-N 2 2 372.513 0.936 20 0 FCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928221 488542524 /nfs/dbraw/zinc/54/25/24/488542524.db2.gz ZNSQKQBFJOHBEJ-OAQYLSRUSA-N 2 2 372.513 0.936 20 0 FCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928221 488542526 /nfs/dbraw/zinc/54/25/26/488542526.db2.gz ZNSQKQBFJOHBEJ-OAQYLSRUSA-N 3 2 372.513 0.936 20 0 FCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928221 488542527 /nfs/dbraw/zinc/54/25/27/488542527.db2.gz ZNSQKQBFJOHBEJ-OAQYLSRUSA-N 3 2 372.513 0.936 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000271756858 488544719 /nfs/dbraw/zinc/54/47/19/488544719.db2.gz YUPPGVGZXJYYHQ-AWEZNQCLSA-N 2 2 353.488 0.597 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262025817 488546778 /nfs/dbraw/zinc/54/67/78/488546778.db2.gz ACSRHLAIOOUSHH-GOSISDBHSA-N 2 2 357.458 0.829 20 0 FCADLP Cc1csc2ncc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c(=O)n12 ZINC000271955063 488555658 /nfs/dbraw/zinc/55/56/58/488555658.db2.gz DZJVCGCFUANKNX-UHFFFAOYSA-N 2 2 363.487 0.820 20 0 FCADLP C[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCCC[NH2+]1 ZINC000262241858 488559150 /nfs/dbraw/zinc/55/91/50/488559150.db2.gz OUFKDNFOWSKXIR-IBGZPJMESA-N 2 2 359.474 0.932 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000120360602 488561306 /nfs/dbraw/zinc/56/13/06/488561306.db2.gz LPDMQKDRRNFSJP-QGZVFWFLSA-N 2 2 373.501 0.968 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000120360602 488561308 /nfs/dbraw/zinc/56/13/08/488561308.db2.gz LPDMQKDRRNFSJP-QGZVFWFLSA-N 2 2 373.501 0.968 20 0 FCADLP COCC1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[NH2+]CC1 ZINC000262355297 488565537 /nfs/dbraw/zinc/56/55/37/488565537.db2.gz JHVSCOFMBXNURB-UHFFFAOYSA-N 2 2 373.461 0.028 20 0 FCADLP C[NH2+][C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357894 488565901 /nfs/dbraw/zinc/56/59/01/488565901.db2.gz JZYPQONRHPWEKT-DLBZAZTESA-N 2 2 370.457 0.769 20 0 FCADLP C[NH2+][C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cnn(C)c1 ZINC000262357894 488565902 /nfs/dbraw/zinc/56/59/02/488565902.db2.gz JZYPQONRHPWEKT-DLBZAZTESA-N 2 2 370.457 0.769 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)NCc3c[nH+]c4n3CCCC4)CC2)cn1 ZINC000569955002 491206260 /nfs/dbraw/zinc/20/62/60/491206260.db2.gz WOTBAHFESUJMFN-UHFFFAOYSA-N 2 2 357.462 0.980 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccccc1 ZINC000262382869 488567482 /nfs/dbraw/zinc/56/74/82/488567482.db2.gz NDDWUBMFYUZJLP-OAHLLOKOSA-N 2 2 353.488 0.572 20 0 FCADLP CC[C@]1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCC[NH2+]1 ZINC000262412471 488569256 /nfs/dbraw/zinc/56/92/56/488569256.db2.gz PNWMPDMPBUSYCG-LJQANCHMSA-N 2 2 359.474 0.932 20 0 FCADLP C[NH2+][C@@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1cnn(C)c1 ZINC000262484140 488573024 /nfs/dbraw/zinc/57/30/24/488573024.db2.gz ZXMIGDUGXLZAHY-CRAIPNDOSA-N 2 2 371.489 0.403 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1cccs1 ZINC000262530901 488575864 /nfs/dbraw/zinc/57/58/64/488575864.db2.gz LYVPPLHKEJORQZ-GFCCVEGCSA-N 2 2 359.517 0.634 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000262531190 488575880 /nfs/dbraw/zinc/57/58/80/488575880.db2.gz OZYRTILINJEKHO-VQIMIIECSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000262531190 488575881 /nfs/dbraw/zinc/57/58/81/488575881.db2.gz OZYRTILINJEKHO-VQIMIIECSA-N 2 2 370.497 0.856 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000569973083 491207276 /nfs/dbraw/zinc/20/72/76/491207276.db2.gz XEZDVYQHCYCCEQ-OAHLLOKOSA-N 2 2 361.490 0.861 20 0 FCADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000272463863 488582583 /nfs/dbraw/zinc/58/25/83/488582583.db2.gz OZYDJMDXCOMHDH-DOTOQJQBSA-N 2 2 367.515 0.651 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657005 488584989 /nfs/dbraw/zinc/58/49/89/488584989.db2.gz DFIIBTCWSJWKQK-OAGGEKHMSA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)c1cccs1 ZINC000272573854 488589431 /nfs/dbraw/zinc/58/94/31/488589431.db2.gz UFIQQXOSHRFMOO-AWEZNQCLSA-N 2 2 361.533 0.993 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)CC1=O ZINC000262791102 488593687 /nfs/dbraw/zinc/59/36/87/488593687.db2.gz NHAVLNAEYWRFTC-ZDUSSCGKSA-N 2 2 371.445 0.279 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(=O)NC1CC1 ZINC000127008699 488613952 /nfs/dbraw/zinc/61/39/52/488613952.db2.gz UHXGMGXPQOZBLK-QAPCUYQASA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127008699 488613954 /nfs/dbraw/zinc/61/39/54/488613954.db2.gz UHXGMGXPQOZBLK-QAPCUYQASA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127008699 488613957 /nfs/dbraw/zinc/61/39/57/488613957.db2.gz UHXGMGXPQOZBLK-QAPCUYQASA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127008699 488613959 /nfs/dbraw/zinc/61/39/59/488613959.db2.gz UHXGMGXPQOZBLK-QAPCUYQASA-N 2 2 358.486 0.976 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)nn1 ZINC000563069189 491212249 /nfs/dbraw/zinc/21/22/49/491212249.db2.gz HXWCJVIRIKQSBX-KRWDZBQOSA-N 2 2 372.473 0.300 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000127454572 488617030 /nfs/dbraw/zinc/61/70/30/488617030.db2.gz GWGZHRSKSIKWMY-CQSZACIVSA-N 2 2 362.540 0.093 20 0 FCADLP C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000263712371 488621071 /nfs/dbraw/zinc/62/10/71/488621071.db2.gz IHQZCYZISLHVNM-UHFFFAOYSA-N 2 2 357.458 0.793 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCn1cc[nH+]c1 ZINC000263734717 488622667 /nfs/dbraw/zinc/62/26/67/488622667.db2.gz RPXIFDYJQLRNFH-HNNXBMFYSA-N 2 2 350.467 0.515 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCn1cc[nH+]c1 ZINC000263734717 488622669 /nfs/dbraw/zinc/62/26/69/488622669.db2.gz RPXIFDYJQLRNFH-HNNXBMFYSA-N 2 2 350.467 0.515 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000563073838 491212878 /nfs/dbraw/zinc/21/28/78/491212878.db2.gz RJMXZVKDHDGJML-KGLIPLIRSA-N 2 2 354.401 0.552 20 0 FCADLP Cc1n[nH]c(C)c1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000129144113 488629086 /nfs/dbraw/zinc/62/90/86/488629086.db2.gz NCWFYIAIYIYCSN-UHFFFAOYSA-N 2 2 357.462 0.975 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000129631808 488632588 /nfs/dbraw/zinc/63/25/88/488632588.db2.gz AQIUIZFMONIHDO-INIZCTEOSA-N 2 2 361.494 0.192 20 0 FCADLP CCN(C)C(=O)CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000130496802 488637940 /nfs/dbraw/zinc/63/79/40/488637940.db2.gz XLWMGSRSRHFYFW-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000130643579 488639147 /nfs/dbraw/zinc/63/91/47/488639147.db2.gz XQPBSCVPNRZWIC-GDBMZVCRSA-N 2 2 370.519 0.938 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000130643579 488639148 /nfs/dbraw/zinc/63/91/48/488639148.db2.gz XQPBSCVPNRZWIC-GDBMZVCRSA-N 2 2 370.519 0.938 20 0 FCADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[NH+]1CCSCC1 ZINC000130975056 488641975 /nfs/dbraw/zinc/64/19/75/488641975.db2.gz JTYBOAXOCPFLFQ-AWEZNQCLSA-N 2 2 350.488 0.972 20 0 FCADLP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000131290803 488644683 /nfs/dbraw/zinc/64/46/83/488644683.db2.gz YXFLSVYKCMPUKJ-HOTGVXAUSA-N 2 2 359.474 0.754 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131431837 488645975 /nfs/dbraw/zinc/64/59/75/488645975.db2.gz JDCSKMNCVJNBPI-YOEHRIQHSA-N 2 2 350.488 0.770 20 0 FCADLP COCC(=O)N[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000132297478 488652690 /nfs/dbraw/zinc/65/26/90/488652690.db2.gz XNAIWUCIRDNFMG-SFHVURJKSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000134031807 488663566 /nfs/dbraw/zinc/66/35/66/488663566.db2.gz UCXGDVNJVRJUDH-OAHLLOKOSA-N 2 2 351.520 0.776 20 0 FCADLP CC[N@H+](CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000136011268 488675737 /nfs/dbraw/zinc/67/57/37/488675737.db2.gz MSMGNUPZGIWSRD-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP CC[N@@H+](CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000136011268 488675739 /nfs/dbraw/zinc/67/57/39/488675739.db2.gz MSMGNUPZGIWSRD-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cn2c1 ZINC000264525500 488682234 /nfs/dbraw/zinc/68/22/34/488682234.db2.gz XFZFHYWBQYYRJY-OAHLLOKOSA-N 2 2 358.446 0.782 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cn2c1 ZINC000264525500 488682237 /nfs/dbraw/zinc/68/22/37/488682237.db2.gz XFZFHYWBQYYRJY-OAHLLOKOSA-N 2 2 358.446 0.782 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000264692193 488699392 /nfs/dbraw/zinc/69/93/92/488699392.db2.gz ZOGYRMHTWRCQOW-QGZVFWFLSA-N 2 2 361.490 0.886 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000264692193 488699394 /nfs/dbraw/zinc/69/93/94/488699394.db2.gz ZOGYRMHTWRCQOW-QGZVFWFLSA-N 2 2 361.490 0.886 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000150811498 488700407 /nfs/dbraw/zinc/70/04/07/488700407.db2.gz YCTBQQLTZBZRJG-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000150811498 488700410 /nfs/dbraw/zinc/70/04/10/488700410.db2.gz YCTBQQLTZBZRJG-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCOCC1 ZINC000151211280 488702868 /nfs/dbraw/zinc/70/28/68/488702868.db2.gz VCNHPOPHHGVNIW-MRXNPFEDSA-N 2 2 356.511 0.441 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264722260 488702980 /nfs/dbraw/zinc/70/29/80/488702980.db2.gz LFCSTVQQQQUXKJ-INIZCTEOSA-N 2 2 357.462 0.621 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264722260 488702984 /nfs/dbraw/zinc/70/29/84/488702984.db2.gz LFCSTVQQQQUXKJ-INIZCTEOSA-N 2 2 357.462 0.621 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000152512929 488718847 /nfs/dbraw/zinc/71/88/47/488718847.db2.gz HOHBRGPUXQRQSN-BBWFWOEESA-N 2 2 353.511 0.127 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000152512929 488718849 /nfs/dbraw/zinc/71/88/49/488718849.db2.gz HOHBRGPUXQRQSN-BBWFWOEESA-N 2 2 353.511 0.127 20 0 FCADLP COC(=O)C1(O)CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274563003 488719894 /nfs/dbraw/zinc/71/98/94/488719894.db2.gz CRDHRGYEMZRPTJ-INIZCTEOSA-N 2 2 363.458 0.405 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000274619969 488723616 /nfs/dbraw/zinc/72/36/16/488723616.db2.gz FPPFFKQHICEDQP-SFHVURJKSA-N 2 2 364.490 0.501 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000274619969 488723617 /nfs/dbraw/zinc/72/36/17/488723617.db2.gz FPPFFKQHICEDQP-SFHVURJKSA-N 2 2 364.490 0.501 20 0 FCADLP CC[NH+](CCO)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000274619969 488723619 /nfs/dbraw/zinc/72/36/19/488723619.db2.gz FPPFFKQHICEDQP-SFHVURJKSA-N 2 2 364.490 0.501 20 0 FCADLP CC[NH+](CCO)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000274619969 488723620 /nfs/dbraw/zinc/72/36/20/488723620.db2.gz FPPFFKQHICEDQP-SFHVURJKSA-N 2 2 364.490 0.501 20 0 FCADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000274647107 488724862 /nfs/dbraw/zinc/72/48/62/488724862.db2.gz KTSQBZJILOSBRV-YOEHRIQHSA-N 2 2 372.469 0.991 20 0 FCADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000274647107 488724865 /nfs/dbraw/zinc/72/48/65/488724865.db2.gz KTSQBZJILOSBRV-YOEHRIQHSA-N 2 2 372.469 0.991 20 0 FCADLP C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000274762141 488732558 /nfs/dbraw/zinc/73/25/58/488732558.db2.gz IGHYGHXNCMKXNB-YOEHRIQHSA-N 2 2 350.438 0.522 20 0 FCADLP CCS(=O)(=O)N(C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154304846 488741362 /nfs/dbraw/zinc/74/13/62/488741362.db2.gz JMSTXTGVHLXOSG-XYPWUTKMSA-N 2 2 372.535 0.037 20 0 FCADLP CCS(=O)(=O)N(C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154304846 488741364 /nfs/dbraw/zinc/74/13/64/488741364.db2.gz JMSTXTGVHLXOSG-XYPWUTKMSA-N 2 2 372.535 0.037 20 0 FCADLP NC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266930559 488745384 /nfs/dbraw/zinc/74/53/84/488745384.db2.gz MEEZAYLXHYZJOQ-GOSISDBHSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266930559 488745387 /nfs/dbraw/zinc/74/53/87/488745387.db2.gz MEEZAYLXHYZJOQ-GOSISDBHSA-N 2 2 358.486 0.918 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)Cc1ccccc1 ZINC000274945791 488746580 /nfs/dbraw/zinc/74/65/80/488746580.db2.gz CHYBTHZSUVCDID-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000274945791 488746582 /nfs/dbraw/zinc/74/65/82/488746582.db2.gz CHYBTHZSUVCDID-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cn2)CC1 ZINC000155062055 488750322 /nfs/dbraw/zinc/75/03/22/488750322.db2.gz GCCDCZMONBHTQC-DLBZAZTESA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cn2)CC1 ZINC000155062055 488750323 /nfs/dbraw/zinc/75/03/23/488750323.db2.gz GCCDCZMONBHTQC-DLBZAZTESA-N 2 2 374.489 0.058 20 0 FCADLP Cn1cc([C@H](CO)[NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000275131589 488764831 /nfs/dbraw/zinc/76/48/31/488764831.db2.gz BWINTEYWDLQPRE-SFHVURJKSA-N 2 2 357.458 0.388 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563147494 491220958 /nfs/dbraw/zinc/22/09/58/491220958.db2.gz GJHALTUCPIZMKY-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563147494 491220961 /nfs/dbraw/zinc/22/09/61/491220961.db2.gz GJHALTUCPIZMKY-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000570162221 491221132 /nfs/dbraw/zinc/22/11/32/491221132.db2.gz CFBBVRRCPTXDEC-WDSOQIARSA-N 2 2 362.518 0.450 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000570162221 491221135 /nfs/dbraw/zinc/22/11/35/491221135.db2.gz CFBBVRRCPTXDEC-WDSOQIARSA-N 2 2 362.518 0.450 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)CC1 ZINC000275199231 488771742 /nfs/dbraw/zinc/77/17/42/488771742.db2.gz FOUDWTDOMDFLNB-KRWDZBQOSA-N 2 2 352.866 0.794 20 0 FCADLP Cc1ccn2c(c1)ncc(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c2=O ZINC000267246318 488772271 /nfs/dbraw/zinc/77/22/71/488772271.db2.gz LOEWAEUCMOZEOZ-UHFFFAOYSA-N 2 2 357.458 0.759 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1 ZINC000267285320 488774416 /nfs/dbraw/zinc/77/44/16/488774416.db2.gz UDYIKMAYWQPGAN-KRWDZBQOSA-N 2 2 360.458 0.918 20 0 FCADLP CCc1[nH+]ccn1CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2CC)CC1 ZINC000158708184 488780038 /nfs/dbraw/zinc/78/00/38/488780038.db2.gz QDBQRBSTXVMVFC-UHFFFAOYSA-N 2 2 358.446 0.575 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267517991 488793456 /nfs/dbraw/zinc/79/34/56/488793456.db2.gz OEGTUPGDQIHQFB-UHFFFAOYSA-N 2 2 350.467 0.563 20 0 FCADLP CCOc1ccccc1N1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162465518 488802556 /nfs/dbraw/zinc/80/25/56/488802556.db2.gz CHKDZBRZWFMYEH-CABCVRRESA-N 2 2 360.458 0.540 20 0 FCADLP CCOc1ccccc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162465518 488802557 /nfs/dbraw/zinc/80/25/57/488802557.db2.gz CHKDZBRZWFMYEH-CABCVRRESA-N 2 2 360.458 0.540 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000162608221 488803930 /nfs/dbraw/zinc/80/39/30/488803930.db2.gz GJMZYTKYQDMCLH-RDJZCZTQSA-N 2 2 351.447 0.396 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000162608221 488803931 /nfs/dbraw/zinc/80/39/31/488803931.db2.gz GJMZYTKYQDMCLH-RDJZCZTQSA-N 2 2 351.447 0.396 20 0 FCADLP COC(=O)[C@]1(F)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000267618263 488805318 /nfs/dbraw/zinc/80/53/18/488805318.db2.gz CWOVUTKBWUPCAX-SFHVURJKSA-N 2 2 364.421 0.707 20 0 FCADLP COC(=O)[C@]1(F)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000267618263 488805321 /nfs/dbraw/zinc/80/53/21/488805321.db2.gz CWOVUTKBWUPCAX-SFHVURJKSA-N 2 2 364.421 0.707 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000164514857 488810415 /nfs/dbraw/zinc/81/04/15/488810415.db2.gz PGXAAQGVFLGZST-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000164514857 488810416 /nfs/dbraw/zinc/81/04/16/488810416.db2.gz PGXAAQGVFLGZST-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CC(C)[NH2+]CCC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000166132478 488811410 /nfs/dbraw/zinc/81/14/10/488811410.db2.gz MJVYNNOUYOKJHS-UHFFFAOYSA-N 2 2 368.503 0.949 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1)c1ccccc1F ZINC000167838532 488812511 /nfs/dbraw/zinc/81/25/11/488812511.db2.gz CNPLJZDJHHIVKJ-HNNXBMFYSA-N 2 2 362.449 0.699 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000170740972 488815736 /nfs/dbraw/zinc/81/57/36/488815736.db2.gz SLEMWTCMPZZCGQ-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000170740972 488815738 /nfs/dbraw/zinc/81/57/38/488815738.db2.gz SLEMWTCMPZZCGQ-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000267728560 488815751 /nfs/dbraw/zinc/81/57/51/488815751.db2.gz ZTRLMVHOHKOJTE-UHFFFAOYSA-N 2 2 371.485 0.722 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642760 488825268 /nfs/dbraw/zinc/82/52/68/488825268.db2.gz JIJNCJGFXKPKRU-DOTOQJQBSA-N 2 2 359.474 0.895 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642760 488825269 /nfs/dbraw/zinc/82/52/69/488825269.db2.gz JIJNCJGFXKPKRU-DOTOQJQBSA-N 2 2 359.474 0.895 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171675747 488825540 /nfs/dbraw/zinc/82/55/40/488825540.db2.gz ZAGAPXRGASVCQN-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171675747 488825541 /nfs/dbraw/zinc/82/55/41/488825541.db2.gz ZAGAPXRGASVCQN-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171675747 488825542 /nfs/dbraw/zinc/82/55/42/488825542.db2.gz ZAGAPXRGASVCQN-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171675747 488825543 /nfs/dbraw/zinc/82/55/43/488825543.db2.gz ZAGAPXRGASVCQN-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP C[N@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171858205 488827556 /nfs/dbraw/zinc/82/75/56/488827556.db2.gz NVHPRQFNNCBXAS-UHFFFAOYSA-N 2 2 366.531 0.656 20 0 FCADLP C[N@@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171858205 488827558 /nfs/dbraw/zinc/82/75/58/488827558.db2.gz NVHPRQFNNCBXAS-UHFFFAOYSA-N 2 2 366.531 0.656 20 0 FCADLP NC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000171883803 488828023 /nfs/dbraw/zinc/82/80/23/488828023.db2.gz SPOYBKQAZHDNGX-UHFFFAOYSA-N 2 2 365.503 0.479 20 0 FCADLP NC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000171883803 488828024 /nfs/dbraw/zinc/82/80/24/488828024.db2.gz SPOYBKQAZHDNGX-UHFFFAOYSA-N 2 2 365.503 0.479 20 0 FCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCN(c2cnccn2)CC1 ZINC000171942246 488829338 /nfs/dbraw/zinc/82/93/38/488829338.db2.gz MISHNNNLNLVNPX-UHFFFAOYSA-N 2 2 355.446 0.659 20 0 FCADLP CC(C)[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000171978754 488829521 /nfs/dbraw/zinc/82/95/21/488829521.db2.gz KTQABQSCBOVFKS-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CC(C)[C@H](CNC(=O)CCCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000171978754 488829522 /nfs/dbraw/zinc/82/95/22/488829522.db2.gz KTQABQSCBOVFKS-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000172647828 488836246 /nfs/dbraw/zinc/83/62/46/488836246.db2.gz RMUIYFDPKCDTAH-QGZVFWFLSA-N 2 2 358.490 0.543 20 0 FCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000172647828 488836248 /nfs/dbraw/zinc/83/62/48/488836248.db2.gz RMUIYFDPKCDTAH-QGZVFWFLSA-N 2 2 358.490 0.543 20 0 FCADLP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000172809959 488838353 /nfs/dbraw/zinc/83/83/53/488838353.db2.gz YZDFTNUQENRBGT-IBGZPJMESA-N 2 2 373.545 0.951 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2C1 ZINC000173230173 488841924 /nfs/dbraw/zinc/84/19/24/488841924.db2.gz SJOXYNBXULKZFT-HNNXBMFYSA-N 2 2 372.469 0.751 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2C1 ZINC000173230173 488841925 /nfs/dbraw/zinc/84/19/25/488841925.db2.gz SJOXYNBXULKZFT-HNNXBMFYSA-N 2 2 372.469 0.751 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000173657817 488844191 /nfs/dbraw/zinc/84/41/91/488844191.db2.gz FPOOFDNJSHDJQG-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000173657817 488844192 /nfs/dbraw/zinc/84/41/92/488844192.db2.gz FPOOFDNJSHDJQG-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000173961426 488846387 /nfs/dbraw/zinc/84/63/87/488846387.db2.gz IMLKWMIXPTYJRC-LSDHHAIUSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000173961426 488846388 /nfs/dbraw/zinc/84/63/88/488846388.db2.gz IMLKWMIXPTYJRC-LSDHHAIUSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000173961438 488846511 /nfs/dbraw/zinc/84/65/11/488846511.db2.gz IMLKWMIXPTYJRC-HUUCEWRRSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000173961438 488846512 /nfs/dbraw/zinc/84/65/12/488846512.db2.gz IMLKWMIXPTYJRC-HUUCEWRRSA-N 2 2 363.506 0.465 20 0 FCADLP CC[NH+](CC)C[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174218704 488848166 /nfs/dbraw/zinc/84/81/66/488848166.db2.gz OTCGPGYHGOPXBO-QGZVFWFLSA-N 2 2 354.539 0.877 20 0 FCADLP C[C@](O)(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481955 488849342 /nfs/dbraw/zinc/84/93/42/488849342.db2.gz LQDQMSLMXSFEDP-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[C@](O)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000174481955 488849343 /nfs/dbraw/zinc/84/93/43/488849343.db2.gz LQDQMSLMXSFEDP-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000174806299 488851312 /nfs/dbraw/zinc/85/13/12/488851312.db2.gz ZYEVPGHCAFPQMU-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000174806299 488851313 /nfs/dbraw/zinc/85/13/13/488851313.db2.gz ZYEVPGHCAFPQMU-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP NC(=O)C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000175245828 488853467 /nfs/dbraw/zinc/85/34/67/488853467.db2.gz RDTXDVLJVODLLN-OAHLLOKOSA-N 2 2 364.515 0.980 20 0 FCADLP NC(=O)C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000175245828 488853468 /nfs/dbraw/zinc/85/34/68/488853468.db2.gz RDTXDVLJVODLLN-OAHLLOKOSA-N 2 2 364.515 0.980 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000175780969 488855791 /nfs/dbraw/zinc/85/57/91/488855791.db2.gz OGHAKTAOZFYJTA-UHFFFAOYSA-N 2 2 353.511 0.668 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000175780969 488855792 /nfs/dbraw/zinc/85/57/92/488855792.db2.gz OGHAKTAOZFYJTA-UHFFFAOYSA-N 2 2 353.511 0.668 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000176950953 488859024 /nfs/dbraw/zinc/85/90/24/488859024.db2.gz ZQCRXYANKYSLMJ-IRXDYDNUSA-N 2 2 361.490 0.844 20 0 FCADLP CCCc1[nH+]ccn1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000179173903 488860887 /nfs/dbraw/zinc/86/08/87/488860887.db2.gz WFVOLCVXIVXNMM-UHFFFAOYSA-N 2 2 368.445 0.861 20 0 FCADLP CCOC(=O)C1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179301011 488861059 /nfs/dbraw/zinc/86/10/59/488861059.db2.gz CEOXIBURYFKUBL-UHFFFAOYSA-N 2 2 354.495 0.997 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179649378 488861425 /nfs/dbraw/zinc/86/14/25/488861425.db2.gz QYOMMDRZLBASSF-HNNXBMFYSA-N 2 2 374.485 0.769 20 0 FCADLP Cc1cn2c(ncc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c2=O)s1 ZINC000179991949 488861717 /nfs/dbraw/zinc/86/17/17/488861717.db2.gz GSHCTKYGPLIASC-UHFFFAOYSA-N 2 2 363.487 0.820 20 0 FCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000181744369 488863880 /nfs/dbraw/zinc/86/38/80/488863880.db2.gz NAVJJRIAVSAZQN-HNNXBMFYSA-N 2 2 354.476 0.149 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000329172150 488977032 /nfs/dbraw/zinc/97/70/32/488977032.db2.gz KXVUJGLIZDCGNB-QKPAOTATSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)COCC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000329172150 488977034 /nfs/dbraw/zinc/97/70/34/488977034.db2.gz KXVUJGLIZDCGNB-QKPAOTATSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000329172150 488977037 /nfs/dbraw/zinc/97/70/37/488977037.db2.gz KXVUJGLIZDCGNB-QKPAOTATSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)COCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000329172150 488977040 /nfs/dbraw/zinc/97/70/40/488977040.db2.gz KXVUJGLIZDCGNB-QKPAOTATSA-N 2 2 354.495 0.105 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364733049 488994047 /nfs/dbraw/zinc/99/40/47/488994047.db2.gz IGVGRXGIPQWLAU-IRXDYDNUSA-N 2 2 354.495 0.651 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364733049 488994051 /nfs/dbraw/zinc/99/40/51/488994051.db2.gz IGVGRXGIPQWLAU-IRXDYDNUSA-N 2 2 354.495 0.651 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)COC4)C2)CC1 ZINC000364759660 488999007 /nfs/dbraw/zinc/99/90/07/488999007.db2.gz UCEUHDJFGFTICH-QGZVFWFLSA-N 2 2 372.469 0.940 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)COC4)C2)CC1 ZINC000364759660 488999008 /nfs/dbraw/zinc/99/90/08/488999008.db2.gz UCEUHDJFGFTICH-QGZVFWFLSA-N 2 2 372.469 0.940 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)cc[nH+]1 ZINC000563203902 491227289 /nfs/dbraw/zinc/22/72/89/491227289.db2.gz IRZDPBUUPGZEMX-CQSZACIVSA-N 2 2 355.446 0.650 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000364898860 489015857 /nfs/dbraw/zinc/01/58/57/489015857.db2.gz KUNKKSGWMARTDN-OKZBNKHCSA-N 2 2 368.522 0.990 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000364898860 489015858 /nfs/dbraw/zinc/01/58/58/489015858.db2.gz KUNKKSGWMARTDN-OKZBNKHCSA-N 2 2 368.522 0.990 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000288803181 489017543 /nfs/dbraw/zinc/01/75/43/489017543.db2.gz FLCCFBNPFDVJDK-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000288803181 489017546 /nfs/dbraw/zinc/01/75/46/489017546.db2.gz FLCCFBNPFDVJDK-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000288803181 489017549 /nfs/dbraw/zinc/01/75/49/489017549.db2.gz FLCCFBNPFDVJDK-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000288803181 489017550 /nfs/dbraw/zinc/01/75/50/489017550.db2.gz FLCCFBNPFDVJDK-RTBURBONSA-N 2 2 359.518 0.801 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329710574 489029486 /nfs/dbraw/zinc/02/94/86/489029486.db2.gz MIXPPAPQUHMZPN-OWCLPIDISA-N 2 2 352.479 0.803 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329710574 489029488 /nfs/dbraw/zinc/02/94/88/489029488.db2.gz MIXPPAPQUHMZPN-OWCLPIDISA-N 2 2 352.479 0.803 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)([NH+]2CCCCC2)CC1 ZINC000365024646 489030419 /nfs/dbraw/zinc/03/04/19/489030419.db2.gz CHGWNYAAYUQHGD-GJZGRUSLSA-N 2 2 352.479 0.086 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000365054006 489033498 /nfs/dbraw/zinc/03/34/98/489033498.db2.gz PIPAMBLEJDDSIN-MRXNPFEDSA-N 2 2 366.506 0.651 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000365152118 489043624 /nfs/dbraw/zinc/04/36/24/489043624.db2.gz NVVTZEGJUNEBDS-GOSISDBHSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000365152118 489043626 /nfs/dbraw/zinc/04/36/26/489043626.db2.gz NVVTZEGJUNEBDS-GOSISDBHSA-N 2 2 351.491 0.953 20 0 FCADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000289265255 489053744 /nfs/dbraw/zinc/05/37/44/489053744.db2.gz WMZVCPZWOGFUSK-WMZOPIPTSA-N 2 2 363.506 0.843 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000365258982 489054852 /nfs/dbraw/zinc/05/48/52/489054852.db2.gz IRRMRPNKQAOJON-GVDBMIGSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000365258982 489054853 /nfs/dbraw/zinc/05/48/53/489054853.db2.gz IRRMRPNKQAOJON-GVDBMIGSSA-N 3 2 367.538 0.563 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000281348650 489068879 /nfs/dbraw/zinc/06/88/79/489068879.db2.gz ZOTARIRIVWUJFS-SFHVURJKSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000281348650 489068882 /nfs/dbraw/zinc/06/88/82/489068882.db2.gz ZOTARIRIVWUJFS-SFHVURJKSA-N 2 2 364.515 0.850 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570295000 491231555 /nfs/dbraw/zinc/23/15/55/491231555.db2.gz XFTRAGDASOKHBF-JQWIXIFHSA-N 2 2 361.368 0.413 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570295000 491231559 /nfs/dbraw/zinc/23/15/59/491231559.db2.gz XFTRAGDASOKHBF-JQWIXIFHSA-N 2 2 361.368 0.413 20 0 FCADLP Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000365528040 489084576 /nfs/dbraw/zinc/08/45/76/489084576.db2.gz JSRHPEAOYVYKKW-ZDUSSCGKSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000365528040 489084578 /nfs/dbraw/zinc/08/45/78/489084578.db2.gz JSRHPEAOYVYKKW-ZDUSSCGKSA-N 2 2 365.503 0.983 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000289718256 489088758 /nfs/dbraw/zinc/08/87/58/489088758.db2.gz GARWIGFFNNLNJO-ZIAGYGMSSA-N 2 2 369.487 0.860 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281582601 489088826 /nfs/dbraw/zinc/08/88/26/489088826.db2.gz NBUPKAJTVHFBFV-UHFFFAOYSA-N 2 2 354.476 0.090 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000365585766 489090195 /nfs/dbraw/zinc/09/01/95/489090195.db2.gz NLBUHUVZLACEHD-MRXNPFEDSA-N 2 2 352.479 0.357 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC1)C2 ZINC000290296481 489128386 /nfs/dbraw/zinc/12/83/86/489128386.db2.gz DQFQEHSIOGQMEQ-RDJZCZTQSA-N 2 2 373.501 0.909 20 0 FCADLP CC[C@@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330666436 489130055 /nfs/dbraw/zinc/13/00/55/489130055.db2.gz XHMYVFSUMAXWHI-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290471303 489142763 /nfs/dbraw/zinc/14/27/63/489142763.db2.gz LTFSLKZYMMWOOK-NVXWUHKLSA-N 2 2 373.501 0.965 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCNC1=O ZINC000282240617 489148311 /nfs/dbraw/zinc/14/83/11/489148311.db2.gz FZMAVWAVANBAIZ-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCNC1=O ZINC000282240617 489148315 /nfs/dbraw/zinc/14/83/15/489148315.db2.gz FZMAVWAVANBAIZ-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562720 489149431 /nfs/dbraw/zinc/14/94/31/489149431.db2.gz PKHVSHPLQPAPIM-CVEARBPZSA-N 2 2 359.474 0.577 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562720 489149434 /nfs/dbraw/zinc/14/94/34/489149434.db2.gz PKHVSHPLQPAPIM-CVEARBPZSA-N 2 2 359.474 0.577 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290643539 489155011 /nfs/dbraw/zinc/15/50/11/489155011.db2.gz TVICXYGEXALKAP-MRXNPFEDSA-N 2 2 371.485 0.767 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@]1(C)C[NH3+] ZINC000570380524 491237106 /nfs/dbraw/zinc/23/71/06/491237106.db2.gz ZFCKBMLXIKODGM-AUUYWEPGSA-N 2 2 374.489 0.918 20 0 FCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000570390066 491237593 /nfs/dbraw/zinc/23/75/93/491237593.db2.gz HASGAIJZAGIQLE-ZCRFILTFSA-N 2 2 357.495 0.072 20 0 FCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000570390066 491237595 /nfs/dbraw/zinc/23/75/95/491237595.db2.gz HASGAIJZAGIQLE-ZCRFILTFSA-N 2 2 357.495 0.072 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000331183398 489183114 /nfs/dbraw/zinc/18/31/14/489183114.db2.gz HXBGIOOBJDRRFU-GJZGRUSLSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000331183398 489183117 /nfs/dbraw/zinc/18/31/17/489183117.db2.gz HXBGIOOBJDRRFU-GJZGRUSLSA-N 2 2 355.504 0.824 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366500231 489189518 /nfs/dbraw/zinc/18/95/18/489189518.db2.gz CBVKSDPWWGFHQW-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366500231 489189521 /nfs/dbraw/zinc/18/95/21/489189521.db2.gz CBVKSDPWWGFHQW-MSOLQXFVSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348075 491238231 /nfs/dbraw/zinc/23/82/31/491238231.db2.gz HHSPPCNCPFWMFN-DGCLKSJQSA-N 2 2 352.460 0.035 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348075 491238232 /nfs/dbraw/zinc/23/82/32/491238232.db2.gz HHSPPCNCPFWMFN-DGCLKSJQSA-N 2 2 352.460 0.035 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000331373611 489203331 /nfs/dbraw/zinc/20/33/31/489203331.db2.gz CUJFQGXBULMIAK-DMRKSPOLSA-N 2 2 366.506 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000331373611 489203333 /nfs/dbraw/zinc/20/33/33/489203333.db2.gz CUJFQGXBULMIAK-DMRKSPOLSA-N 2 2 366.506 0.140 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000283027152 489208046 /nfs/dbraw/zinc/20/80/46/489208046.db2.gz HIDXFZBURSTUKN-MOPGFXCFSA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000283027152 489208049 /nfs/dbraw/zinc/20/80/49/489208049.db2.gz HIDXFZBURSTUKN-MOPGFXCFSA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000283027158 489208069 /nfs/dbraw/zinc/20/80/69/489208069.db2.gz HIDXFZBURSTUKN-RBUKOAKNSA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000283027158 489208072 /nfs/dbraw/zinc/20/80/72/489208072.db2.gz HIDXFZBURSTUKN-RBUKOAKNSA-N 2 2 361.486 0.975 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000331461633 489214539 /nfs/dbraw/zinc/21/45/39/489214539.db2.gz KUVGYTOHFHPYNN-JKSUJKDBSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000331461633 489214540 /nfs/dbraw/zinc/21/45/40/489214540.db2.gz KUVGYTOHFHPYNN-JKSUJKDBSA-N 2 2 356.511 0.848 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000331653559 489215676 /nfs/dbraw/zinc/21/56/76/489215676.db2.gz PDTKIYATHPUATD-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H](OC)C[NH+]2C)CC1 ZINC000331653559 489215670 /nfs/dbraw/zinc/21/56/70/489215670.db2.gz PDTKIYATHPUATD-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H](OC)C[NH+]2C)CC1 ZINC000331653559 489215674 /nfs/dbraw/zinc/21/56/74/489215674.db2.gz PDTKIYATHPUATD-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000331653559 489215679 /nfs/dbraw/zinc/21/56/79/489215679.db2.gz PDTKIYATHPUATD-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000332561841 489220547 /nfs/dbraw/zinc/22/05/47/489220547.db2.gz VOPRLIAKTLMHIP-CVEARBPZSA-N 2 2 359.474 0.671 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000332561841 489220548 /nfs/dbraw/zinc/22/05/48/489220548.db2.gz VOPRLIAKTLMHIP-CVEARBPZSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000332750022 489225474 /nfs/dbraw/zinc/22/54/74/489225474.db2.gz PLEGJMYTUDXCMH-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000332750022 489225476 /nfs/dbraw/zinc/22/54/76/489225476.db2.gz PLEGJMYTUDXCMH-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000297697613 489225666 /nfs/dbraw/zinc/22/56/66/489225666.db2.gz BRIITQCODQIZCX-INIZCTEOSA-N 2 2 355.442 0.203 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000332763006 489226724 /nfs/dbraw/zinc/22/67/24/489226724.db2.gz XOGXPVOUYLYBGN-FGTMMUONSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000332763006 489226727 /nfs/dbraw/zinc/22/67/27/489226727.db2.gz XOGXPVOUYLYBGN-FGTMMUONSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000332763007 489226866 /nfs/dbraw/zinc/22/68/66/489226866.db2.gz XOGXPVOUYLYBGN-KZNAEPCWSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000332763007 489226867 /nfs/dbraw/zinc/22/68/67/489226867.db2.gz XOGXPVOUYLYBGN-KZNAEPCWSA-N 2 2 368.522 0.848 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000283222804 489229309 /nfs/dbraw/zinc/22/93/09/489229309.db2.gz BIYGMERCBSMYQS-UHFFFAOYSA-N 2 2 373.457 0.568 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000570433942 491240762 /nfs/dbraw/zinc/24/07/62/491240762.db2.gz BTIBQBZEJHLDOK-DOTOQJQBSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000570433942 491240764 /nfs/dbraw/zinc/24/07/64/491240764.db2.gz BTIBQBZEJHLDOK-DOTOQJQBSA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000297736959 489232820 /nfs/dbraw/zinc/23/28/20/489232820.db2.gz FECRWFAQVJOWKU-UHFFFAOYSA-N 2 2 373.501 0.921 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283271446 489236050 /nfs/dbraw/zinc/23/60/50/489236050.db2.gz AUVIIYBXHAOWKW-ZBFHGGJFSA-N 2 2 357.458 0.982 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000297791707 489241078 /nfs/dbraw/zinc/24/10/78/489241078.db2.gz NZZAJNHVPFTMRC-UHFFFAOYSA-N 2 2 359.474 0.699 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369462975 489241282 /nfs/dbraw/zinc/24/12/82/489241282.db2.gz NCGUHZRTZMHYFU-IRXDYDNUSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369462975 489241284 /nfs/dbraw/zinc/24/12/84/489241284.db2.gz NCGUHZRTZMHYFU-IRXDYDNUSA-N 3 2 367.538 0.517 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000283313895 489243483 /nfs/dbraw/zinc/24/34/83/489243483.db2.gz ASSSEGHDMBUGQA-UHFFFAOYSA-N 2 2 369.469 0.984 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000369492136 489244964 /nfs/dbraw/zinc/24/49/64/489244964.db2.gz UIWOGIFNKOLWIS-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000283373982 489251108 /nfs/dbraw/zinc/25/11/08/489251108.db2.gz VTKPFLBBTQIPBV-UHFFFAOYSA-N 2 2 369.469 0.776 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCCOC2)O1 ZINC000332971374 489252798 /nfs/dbraw/zinc/25/27/98/489252798.db2.gz CTGDIUPIBNBREZ-KXBFYZLASA-N 2 2 351.491 0.999 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCCOC2)O1 ZINC000332971374 489252800 /nfs/dbraw/zinc/25/28/00/489252800.db2.gz CTGDIUPIBNBREZ-KXBFYZLASA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCOC[C@@H]3CCOC3)C2)CC1 ZINC000369585134 489254861 /nfs/dbraw/zinc/25/48/61/489254861.db2.gz QOYGMLUWMKXKKM-DLBZAZTESA-N 2 2 368.522 0.897 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCOC[C@@H]3CCOC3)C2)CC1 ZINC000369585134 489254863 /nfs/dbraw/zinc/25/48/63/489254863.db2.gz QOYGMLUWMKXKKM-DLBZAZTESA-N 2 2 368.522 0.897 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332993858 489254965 /nfs/dbraw/zinc/25/49/65/489254965.db2.gz CGVCWSNVKCOMAW-DLBZAZTESA-N 2 2 354.495 0.338 20 0 FCADLP COCC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369599067 489256274 /nfs/dbraw/zinc/25/62/74/489256274.db2.gz GTJWQRKMDNEEII-AEFFLSMTSA-N 2 2 368.522 0.401 20 0 FCADLP COCC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369599067 489256275 /nfs/dbraw/zinc/25/62/75/489256275.db2.gz GTJWQRKMDNEEII-AEFFLSMTSA-N 2 2 368.522 0.401 20 0 FCADLP CNc1nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]c2ccccc21 ZINC000333531371 489261999 /nfs/dbraw/zinc/26/19/99/489261999.db2.gz JBXHIDKXOIYFBL-INIZCTEOSA-N 2 2 354.458 1.414 20 0 FCADLP CNc1nc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]c2ccccc21 ZINC000333531371 489262000 /nfs/dbraw/zinc/26/20/00/489262000.db2.gz JBXHIDKXOIYFBL-INIZCTEOSA-N 2 2 354.458 1.414 20 0 FCADLP CC[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333981679 489263958 /nfs/dbraw/zinc/26/39/58/489263958.db2.gz AVTMHZZBIUQRCG-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP CC[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333981679 489263961 /nfs/dbraw/zinc/26/39/61/489263961.db2.gz AVTMHZZBIUQRCG-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000297963813 489270155 /nfs/dbraw/zinc/27/01/55/489270155.db2.gz VVBWVGCDFAPJGQ-GJYPPUQNSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000297963813 489270157 /nfs/dbraw/zinc/27/01/57/489270157.db2.gz VVBWVGCDFAPJGQ-GJYPPUQNSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000298007860 489277564 /nfs/dbraw/zinc/27/75/64/489277564.db2.gz BURZRMCQBXYKGK-NVXWUHKLSA-N 2 2 354.520 0.883 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000298007860 489277567 /nfs/dbraw/zinc/27/75/67/489277567.db2.gz BURZRMCQBXYKGK-NVXWUHKLSA-N 2 2 354.520 0.883 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820627 489279090 /nfs/dbraw/zinc/27/90/90/489279090.db2.gz CHSLUMQYJBPXJB-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820627 489279093 /nfs/dbraw/zinc/27/90/93/489279093.db2.gz CHSLUMQYJBPXJB-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000283594664 489279379 /nfs/dbraw/zinc/27/93/79/489279379.db2.gz OSLCUXPTFDUXEH-OAHLLOKOSA-N 2 2 368.503 0.306 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283643477 489285355 /nfs/dbraw/zinc/28/53/55/489285355.db2.gz SJWNDWNUBCBIDB-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283643477 489285359 /nfs/dbraw/zinc/28/53/59/489285359.db2.gz SJWNDWNUBCBIDB-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000298082768 489288176 /nfs/dbraw/zinc/28/81/76/489288176.db2.gz MSNNYJHSHIJJBP-AWEZNQCLSA-N 2 2 352.504 0.973 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)CC1 ZINC000369899724 489289276 /nfs/dbraw/zinc/28/92/76/489289276.db2.gz JONAZASCDDDBGM-QGZVFWFLSA-N 2 2 359.474 0.957 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)CC1 ZINC000369899724 489289279 /nfs/dbraw/zinc/28/92/79/489289279.db2.gz JONAZASCDDDBGM-QGZVFWFLSA-N 2 2 359.474 0.957 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000570525346 491247186 /nfs/dbraw/zinc/24/71/86/491247186.db2.gz LUUNVDUROZLHQJ-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP COc1cccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000298722923 489356511 /nfs/dbraw/zinc/35/65/11/489356511.db2.gz OVNAHFKILVQCFR-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286105020 489356876 /nfs/dbraw/zinc/35/68/76/489356876.db2.gz NTYRHOLDAJFGGB-GOSISDBHSA-N 2 2 358.486 0.639 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000361771627 489366016 /nfs/dbraw/zinc/36/60/16/489366016.db2.gz ZUZGJPVSGVSUCM-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000361771627 489366019 /nfs/dbraw/zinc/36/60/19/489366019.db2.gz ZUZGJPVSGVSUCM-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511890 489369308 /nfs/dbraw/zinc/36/93/08/489369308.db2.gz BQFRABNKWOEORH-CABCVRRESA-N 2 2 351.495 0.465 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511890 489369309 /nfs/dbraw/zinc/36/93/09/489369309.db2.gz BQFRABNKWOEORH-CABCVRRESA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000298840814 489372812 /nfs/dbraw/zinc/37/28/12/489372812.db2.gz WQUZUQWMIUJFPA-FUHWJXTLSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370557630 489374619 /nfs/dbraw/zinc/37/46/19/489374619.db2.gz LGQVPPJEXHIQFN-ZACQAIPSSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000362292912 489381653 /nfs/dbraw/zinc/38/16/53/489381653.db2.gz GAJVIAHZEHUSQF-MRXNPFEDSA-N 2 2 354.495 0.997 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000570586643 491251446 /nfs/dbraw/zinc/25/14/46/491251446.db2.gz WFMFBDDFOBNXAK-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000570586643 491251447 /nfs/dbraw/zinc/25/14/47/491251447.db2.gz WFMFBDDFOBNXAK-HNNXBMFYSA-N 2 2 366.506 0.347 20 0 FCADLP CS(=O)(=O)N[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286389219 489386571 /nfs/dbraw/zinc/38/65/71/489386571.db2.gz KSUGJCFYFNZESL-KRWDZBQOSA-N 2 2 366.531 0.822 20 0 FCADLP CS(=O)(=O)N[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286389219 489386573 /nfs/dbraw/zinc/38/65/73/489386573.db2.gz KSUGJCFYFNZESL-KRWDZBQOSA-N 2 2 366.531 0.822 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000299001652 489393549 /nfs/dbraw/zinc/39/35/49/489393549.db2.gz QJBASKQWEDSTRI-HNNXBMFYSA-N 2 2 371.441 0.844 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930219 489405879 /nfs/dbraw/zinc/40/58/79/489405879.db2.gz BQNQMHPKFXFEAX-IAGOWNOFSA-N 2 2 369.425 0.790 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930219 489405882 /nfs/dbraw/zinc/40/58/82/489405882.db2.gz BQNQMHPKFXFEAX-IAGOWNOFSA-N 2 2 369.425 0.790 20 0 FCADLP Cc1nn(C)c(C)c1C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821660 489407279 /nfs/dbraw/zinc/40/72/79/489407279.db2.gz VOYZXKRPCCGNRG-INIZCTEOSA-N 2 2 361.490 0.847 20 0 FCADLP Cc1nn(C)c(C)c1C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821660 489407281 /nfs/dbraw/zinc/40/72/81/489407281.db2.gz VOYZXKRPCCGNRG-INIZCTEOSA-N 2 2 361.490 0.847 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000286609443 489409778 /nfs/dbraw/zinc/40/97/78/489409778.db2.gz XTUYQXNJQXGLJH-NSHDSACASA-N 2 2 363.384 0.860 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1C ZINC000286709265 489420018 /nfs/dbraw/zinc/42/00/18/489420018.db2.gz CXRKUHUDMVKBDF-GFCCVEGCSA-N 2 2 359.434 0.232 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363269639 489446694 /nfs/dbraw/zinc/44/66/94/489446694.db2.gz JNFKMBVNTUDGEZ-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC000371087984 489449774 /nfs/dbraw/zinc/44/97/74/489449774.db2.gz NHFOVKWLZQWTLI-INIZCTEOSA-N 2 2 370.457 0.686 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(-n4cncn4)nc3)C2)CC1 ZINC000363339383 489454700 /nfs/dbraw/zinc/45/47/00/489454700.db2.gz VWZQWHLMOUHNDZ-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(-n4cncn4)nc3)C2)CC1 ZINC000363339383 489454701 /nfs/dbraw/zinc/45/47/01/489454701.db2.gz VWZQWHLMOUHNDZ-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000299641545 489465883 /nfs/dbraw/zinc/46/58/83/489465883.db2.gz MZMHJLNSMRWWMA-INIZCTEOSA-N 2 2 360.506 0.086 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300582 489475309 /nfs/dbraw/zinc/47/53/09/489475309.db2.gz PZCRMHXPHSNMJH-OWCLPIDISA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300582 489475312 /nfs/dbraw/zinc/47/53/12/489475312.db2.gz PZCRMHXPHSNMJH-OWCLPIDISA-N 2 2 355.479 0.629 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000563581464 491256287 /nfs/dbraw/zinc/25/62/87/491256287.db2.gz JGSXRUKCSJMQLY-CABCVRRESA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000563581464 491256288 /nfs/dbraw/zinc/25/62/88/491256288.db2.gz JGSXRUKCSJMQLY-CABCVRRESA-N 2 2 365.865 0.730 20 0 FCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C[NH3+] ZINC000563581500 491256338 /nfs/dbraw/zinc/25/63/38/491256338.db2.gz KEZLXHRRGBJNNN-RDJZCZTQSA-N 2 2 365.522 0.557 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000363587605 489481936 /nfs/dbraw/zinc/48/19/36/489481936.db2.gz SDBUYRCBOMYDOY-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000371572652 489488628 /nfs/dbraw/zinc/48/86/28/489488628.db2.gz RYCGZSFRIXXRND-MRXNPFEDSA-N 2 2 366.506 0.015 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])c2cscn2)c1 ZINC000570679358 491257184 /nfs/dbraw/zinc/25/71/84/491257184.db2.gz LWNPAIPNPYUQOP-HNNXBMFYSA-N 2 2 361.471 0.751 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000423218454 489504056 /nfs/dbraw/zinc/50/40/56/489504056.db2.gz VNYXJUHPFZYWNZ-HUUCEWRRSA-N 2 2 360.458 0.733 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423252407 489507049 /nfs/dbraw/zinc/50/70/49/489507049.db2.gz UFHSWMYHAAPQTA-JKSUJKDBSA-N 2 2 374.485 0.535 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000423257606 489507777 /nfs/dbraw/zinc/50/77/77/489507777.db2.gz KHZSTQVUCKXKBO-HOTGVXAUSA-N 2 2 374.485 0.721 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423260040 489508606 /nfs/dbraw/zinc/50/86/06/489508606.db2.gz PFZDUACIODIFIS-FUHWJXTLSA-N 2 2 374.485 0.296 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423295009 489512767 /nfs/dbraw/zinc/51/27/67/489512767.db2.gz DDYKWCBOCIEWRR-FUHWJXTLSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423295009 489512769 /nfs/dbraw/zinc/51/27/69/489512769.db2.gz DDYKWCBOCIEWRR-FUHWJXTLSA-N 2 2 358.486 0.787 20 0 FCADLP [NH3+]C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCC1 ZINC000415188398 489513096 /nfs/dbraw/zinc/51/30/96/489513096.db2.gz OILQTBHVPPYTRW-OAHLLOKOSA-N 2 2 350.467 0.854 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[C@@H]1[NH3+] ZINC000415468266 489523631 /nfs/dbraw/zinc/52/36/31/489523631.db2.gz VPEOCUMABSRDFC-YJBOKZPZSA-N 2 2 373.501 0.568 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000415563852 489530595 /nfs/dbraw/zinc/53/05/95/489530595.db2.gz HMJXRNXUMZDGKF-HNNXBMFYSA-N 2 2 361.490 0.616 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371987671 489531614 /nfs/dbraw/zinc/53/16/14/489531614.db2.gz OLJBGWNTSJMAHS-DLBZAZTESA-N 2 2 368.522 0.728 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000415598049 489534558 /nfs/dbraw/zinc/53/45/58/489534558.db2.gz KCCDJVHXAJVNIJ-MRXNPFEDSA-N 2 2 356.382 0.999 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415624127 489538154 /nfs/dbraw/zinc/53/81/54/489538154.db2.gz JMQRQOUTEHAXJE-QGZVFWFLSA-N 2 2 373.501 0.631 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000415644548 489539426 /nfs/dbraw/zinc/53/94/26/489539426.db2.gz KYLDQFHBSPLYHW-AEFFLSMTSA-N 2 2 373.501 0.759 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000555634351 491261491 /nfs/dbraw/zinc/26/14/91/491261491.db2.gz YWCPXTPTRUNREQ-UHFFFAOYSA-N 2 2 352.398 0.892 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415687496 489541684 /nfs/dbraw/zinc/54/16/84/489541684.db2.gz VVTPMERBKGISDC-YJBOKZPZSA-N 2 2 373.501 0.629 20 0 FCADLP NC(=O)C[C@H]1COCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000452079952 489543484 /nfs/dbraw/zinc/54/34/84/489543484.db2.gz GPBNKHAMZFVLQZ-SFHVURJKSA-N 2 2 374.485 0.475 20 0 FCADLP NC(=O)C[C@H]1COCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000452079952 489543487 /nfs/dbraw/zinc/54/34/87/489543487.db2.gz GPBNKHAMZFVLQZ-SFHVURJKSA-N 2 2 374.485 0.475 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415786497 489553296 /nfs/dbraw/zinc/55/32/96/489553296.db2.gz IIUGRGLASPQUPL-KTAKPFMOSA-N 2 2 360.458 0.966 20 0 FCADLP [NH3+]CCOc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000415945686 489565386 /nfs/dbraw/zinc/56/53/86/489565386.db2.gz LJMNPDRXHPTDMI-UHFFFAOYSA-N 2 2 374.445 1.197 20 0 FCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331502 489571520 /nfs/dbraw/zinc/57/15/20/489571520.db2.gz KRUAFGHEOCHPCM-BRSBDYLESA-N 2 2 352.523 0.628 20 0 FCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331502 489571522 /nfs/dbraw/zinc/57/15/22/489571522.db2.gz KRUAFGHEOCHPCM-BRSBDYLESA-N 2 2 352.523 0.628 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331504 489571817 /nfs/dbraw/zinc/57/18/17/489571817.db2.gz KRUAFGHEOCHPCM-ZJPYXAASSA-N 2 2 352.523 0.628 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372331504 489571820 /nfs/dbraw/zinc/57/18/20/489571820.db2.gz KRUAFGHEOCHPCM-ZJPYXAASSA-N 2 2 352.523 0.628 20 0 FCADLP C[NH+](C)[C@H](CC(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000416157270 489572713 /nfs/dbraw/zinc/57/27/13/489572713.db2.gz IFMJEOFSVSRTIQ-QGZVFWFLSA-N 2 2 362.474 0.244 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000372365141 489576674 /nfs/dbraw/zinc/57/66/74/489576674.db2.gz INLHFKZGKMUAIL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000372365141 489576677 /nfs/dbraw/zinc/57/66/77/489576677.db2.gz INLHFKZGKMUAIL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000372365141 489576678 /nfs/dbraw/zinc/57/66/78/489576678.db2.gz INLHFKZGKMUAIL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000372365141 489576681 /nfs/dbraw/zinc/57/66/81/489576681.db2.gz INLHFKZGKMUAIL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000570786186 491264485 /nfs/dbraw/zinc/26/44/85/491264485.db2.gz SEVBCVUVTIWJOP-FMKPAKJESA-N 2 2 355.442 0.835 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427303735 489601682 /nfs/dbraw/zinc/60/16/82/489601682.db2.gz CTQNDVVDOQDNJZ-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427305886 489601945 /nfs/dbraw/zinc/60/19/45/489601945.db2.gz YGHPRODKUREWRZ-IRXDYDNUSA-N 2 2 368.522 0.452 20 0 FCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372605528 489607699 /nfs/dbraw/zinc/60/76/99/489607699.db2.gz IGEKYHVUBOWRPW-KRWDZBQOSA-N 2 2 371.485 0.867 20 0 FCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372605528 489607702 /nfs/dbraw/zinc/60/77/02/489607702.db2.gz IGEKYHVUBOWRPW-KRWDZBQOSA-N 2 2 371.485 0.867 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000555686477 491265938 /nfs/dbraw/zinc/26/59/38/491265938.db2.gz HLSJPGICCBTVRW-LJQANCHMSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000555686477 491265939 /nfs/dbraw/zinc/26/59/39/491265939.db2.gz HLSJPGICCBTVRW-LJQANCHMSA-N 2 2 370.497 0.931 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000427737716 489619289 /nfs/dbraw/zinc/61/92/89/489619289.db2.gz WNZOHMKZBJKGON-INIZCTEOSA-N 2 2 350.463 0.863 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CCO1 ZINC000427737716 489619294 /nfs/dbraw/zinc/61/92/94/489619294.db2.gz WNZOHMKZBJKGON-INIZCTEOSA-N 2 2 350.463 0.863 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCOc3cccc(C(N)=O)c3)C2)CC1 ZINC000372685171 489624269 /nfs/dbraw/zinc/62/42/69/489624269.db2.gz OIEVCVPQLQWJCJ-INIZCTEOSA-N 2 2 374.485 0.839 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCOc3cccc(C(N)=O)c3)C2)CC1 ZINC000372685171 489624271 /nfs/dbraw/zinc/62/42/71/489624271.db2.gz OIEVCVPQLQWJCJ-INIZCTEOSA-N 2 2 374.485 0.839 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999210 489631226 /nfs/dbraw/zinc/63/12/26/489631226.db2.gz SWLGPQQHTRYGDR-QGZVFWFLSA-N 2 2 365.474 0.909 20 0 FCADLP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457061705 489634052 /nfs/dbraw/zinc/63/40/52/489634052.db2.gz YUVHDUXPLGXRRD-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038746 489634075 /nfs/dbraw/zinc/63/40/75/489634075.db2.gz ARYMZSYKJDYBMB-HUUCEWRRSA-N 2 2 362.499 0.716 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038746 489634078 /nfs/dbraw/zinc/63/40/78/489634078.db2.gz ARYMZSYKJDYBMB-HUUCEWRRSA-N 2 2 362.499 0.716 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417034744 489639280 /nfs/dbraw/zinc/63/92/80/489639280.db2.gz JIJVJALYFDQBQO-QGZVFWFLSA-N 2 2 350.463 0.595 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417047898 489639901 /nfs/dbraw/zinc/63/99/01/489639901.db2.gz YYOYJFUILBXXAZ-GOSISDBHSA-N 2 2 361.490 0.264 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000570834311 491268299 /nfs/dbraw/zinc/26/82/99/491268299.db2.gz MIOJCEKTDJYSIO-KRWDZBQOSA-N 2 2 373.501 0.911 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000570834311 491268302 /nfs/dbraw/zinc/26/83/02/491268302.db2.gz MIOJCEKTDJYSIO-KRWDZBQOSA-N 2 2 373.501 0.911 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCOCC2)cc1 ZINC000417181185 489644451 /nfs/dbraw/zinc/64/44/51/489644451.db2.gz PEWSRZVRTAIBJF-KRWDZBQOSA-N 2 2 350.463 0.331 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000417291912 489646931 /nfs/dbraw/zinc/64/69/31/489646931.db2.gz BMSUIOLKQSAKEN-KRWDZBQOSA-N 2 2 362.474 0.901 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417298823 489646948 /nfs/dbraw/zinc/64/69/48/489646948.db2.gz QREOZEVKIUGZGQ-OAHLLOKOSA-N 2 2 350.463 0.934 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417367148 489649654 /nfs/dbraw/zinc/64/96/54/489649654.db2.gz LNRMZXBQQFEGBG-CVEARBPZSA-N 2 2 374.489 0.547 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000555734804 491268923 /nfs/dbraw/zinc/26/89/23/491268923.db2.gz NPYBUYHBIWYPNG-INIZCTEOSA-N 2 2 361.490 0.974 20 0 FCADLP C[NH+](C)CCN(C(=O)C1C[NH+](C2CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000457627142 489652759 /nfs/dbraw/zinc/65/27/59/489652759.db2.gz JHIHVHWQABDWFU-KRWDZBQOSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCCC1 ZINC000570846514 491269242 /nfs/dbraw/zinc/26/92/42/491269242.db2.gz CMMKWKIVGIQMBG-YJBOKZPZSA-N 2 2 369.469 0.928 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000372963712 489656857 /nfs/dbraw/zinc/65/68/57/489656857.db2.gz FLRAJROWXOZIQX-HNNXBMFYSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000372963712 489656859 /nfs/dbraw/zinc/65/68/59/489656859.db2.gz FLRAJROWXOZIQX-HNNXBMFYSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000372963712 489656862 /nfs/dbraw/zinc/65/68/62/489656862.db2.gz FLRAJROWXOZIQX-HNNXBMFYSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000372963712 489656864 /nfs/dbraw/zinc/65/68/64/489656864.db2.gz FLRAJROWXOZIQX-HNNXBMFYSA-N 2 2 360.462 0.232 20 0 FCADLP C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000563797415 491269578 /nfs/dbraw/zinc/26/95/78/491269578.db2.gz CXINDYUUZAISOT-LSDHHAIUSA-N 2 2 374.489 0.979 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417661100 489660737 /nfs/dbraw/zinc/66/07/37/489660737.db2.gz OOXZYEDKYJETIJ-IUODEOHRSA-N 2 2 355.433 0.770 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000555742845 491269855 /nfs/dbraw/zinc/26/98/55/491269855.db2.gz YGMWSNQGBXYOCF-OAHLLOKOSA-N 2 2 362.474 0.201 20 0 FCADLP COC1(CO)CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000428974355 489668844 /nfs/dbraw/zinc/66/88/44/489668844.db2.gz FHCVQTNSKYSPAG-INIZCTEOSA-N 2 2 362.474 0.592 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429003137 489670070 /nfs/dbraw/zinc/67/00/70/489670070.db2.gz XZUUTDUHKVXRFT-AWEZNQCLSA-N 2 2 374.254 0.985 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158021 489672951 /nfs/dbraw/zinc/67/29/51/489672951.db2.gz DCUXUEOVXNZORB-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158021 489672953 /nfs/dbraw/zinc/67/29/53/489672953.db2.gz DCUXUEOVXNZORB-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000429127511 489673601 /nfs/dbraw/zinc/67/36/01/489673601.db2.gz CHRIBQITUKTYGM-IRXDYDNUSA-N 2 2 353.507 0.983 20 0 FCADLP C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000429127511 489673604 /nfs/dbraw/zinc/67/36/04/489673604.db2.gz CHRIBQITUKTYGM-IRXDYDNUSA-N 2 2 353.507 0.983 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000373150516 489674633 /nfs/dbraw/zinc/67/46/33/489674633.db2.gz GCFBDZOGHALDCA-UHFFFAOYSA-N 3 2 351.539 0.251 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000373150516 489674636 /nfs/dbraw/zinc/67/46/36/489674636.db2.gz GCFBDZOGHALDCA-UHFFFAOYSA-N 2 2 351.539 0.251 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418298696 489689624 /nfs/dbraw/zinc/68/96/24/489689624.db2.gz QSSDUJJICWSUQX-UHFFFAOYSA-N 2 2 353.511 0.844 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418362304 489693647 /nfs/dbraw/zinc/69/36/47/489693647.db2.gz BDRHPBHBFVJRJV-HZPDHXFCSA-N 2 2 353.511 0.570 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418363892 489693872 /nfs/dbraw/zinc/69/38/72/489693872.db2.gz IRGMOPXWZHQHDL-MRXNPFEDSA-N 2 2 353.511 0.572 20 0 FCADLP CCOC1CC(CNC(=O)NC(C)(C)C[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000458705355 489696880 /nfs/dbraw/zinc/69/68/80/489696880.db2.gz KVBCHGYOELMEFM-UHFFFAOYSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H](Cn1cncn1)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000429684806 489697153 /nfs/dbraw/zinc/69/71/53/489697153.db2.gz LCOSVOZVUWFXKZ-PBHICJAKSA-N 2 2 353.430 0.598 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418434277 489698360 /nfs/dbraw/zinc/69/83/60/489698360.db2.gz FIMLBIGEZOMZAW-HNNXBMFYSA-N 2 2 369.510 0.078 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000418520951 489704242 /nfs/dbraw/zinc/70/42/42/489704242.db2.gz FLYWANYGUXLPLY-UHFFFAOYSA-N 2 2 352.389 0.756 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000489356839 489707587 /nfs/dbraw/zinc/70/75/87/489707587.db2.gz LDIUMFHVKDXKAK-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000489356839 489707589 /nfs/dbraw/zinc/70/75/89/489707589.db2.gz LDIUMFHVKDXKAK-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccccc1C[NH+]1C[C@@H](CO)OC[C@@H]1C ZINC000489356839 489707591 /nfs/dbraw/zinc/70/75/91/489707591.db2.gz LDIUMFHVKDXKAK-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1C[NH+]1C[C@@H](CO)OC[C@@H]1C ZINC000489356839 489707594 /nfs/dbraw/zinc/70/75/94/489707594.db2.gz LDIUMFHVKDXKAK-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418568353 489708099 /nfs/dbraw/zinc/70/80/99/489708099.db2.gz BLCMIIZNTIRPDY-HRCADAONSA-N 2 2 369.510 0.125 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418747940 489721713 /nfs/dbraw/zinc/72/17/13/489721713.db2.gz KBGMMXMCICFEJU-INIZCTEOSA-N 2 2 353.511 0.714 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418779368 489725842 /nfs/dbraw/zinc/72/58/42/489725842.db2.gz BCYNWFMGJSXCFL-QGZVFWFLSA-N 2 2 366.462 0.502 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000489822754 489730366 /nfs/dbraw/zinc/73/03/66/489730366.db2.gz DXLBOJNAAUBLKN-UYAOXDASSA-N 2 2 371.529 0.609 20 0 FCADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489859076 489731486 /nfs/dbraw/zinc/73/14/86/489731486.db2.gz PHKXCDHDCMNMKR-ZACQAIPSSA-N 2 2 374.485 0.311 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000459428877 489731495 /nfs/dbraw/zinc/73/14/95/489731495.db2.gz OSBGXEXSXIOOPX-MRXNPFEDSA-N 2 2 364.494 1.069 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000459428877 489731496 /nfs/dbraw/zinc/73/14/96/489731496.db2.gz OSBGXEXSXIOOPX-MRXNPFEDSA-N 2 2 364.494 1.069 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000570937360 491274652 /nfs/dbraw/zinc/27/46/52/491274652.db2.gz UVZLEFGTHSETBT-UHFFFAOYSA-N 2 2 366.429 0.898 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCOc1cccc(Cl)c1 ZINC000489942444 489736792 /nfs/dbraw/zinc/73/67/92/489736792.db2.gz OTXSYDKJVIOIBD-MRXNPFEDSA-N 2 2 366.893 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000418829386 489743004 /nfs/dbraw/zinc/74/30/04/489743004.db2.gz IQRRNEJMLLYNIJ-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000418829386 489743007 /nfs/dbraw/zinc/74/30/07/489743007.db2.gz IQRRNEJMLLYNIJ-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP CC[NH2+]CC1CC[NH+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430566013 489747017 /nfs/dbraw/zinc/74/70/17/489747017.db2.gz BASXLFIQOOQGFM-QGZVFWFLSA-N 2 2 373.563 0.980 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000430589007 489749758 /nfs/dbraw/zinc/74/97/58/489749758.db2.gz GSTDGFQQVWQRGB-GOSISDBHSA-N 3 2 370.538 0.289 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000430589007 489749760 /nfs/dbraw/zinc/74/97/60/489749760.db2.gz GSTDGFQQVWQRGB-GOSISDBHSA-N 3 2 370.538 0.289 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000376538490 489751102 /nfs/dbraw/zinc/75/11/02/489751102.db2.gz FRGRMGSOSQRPGN-KRWDZBQOSA-N 2 2 374.485 0.868 20 0 FCADLP O=C(C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000376538490 489751108 /nfs/dbraw/zinc/75/11/08/489751108.db2.gz FRGRMGSOSQRPGN-KRWDZBQOSA-N 2 2 374.485 0.868 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000430609128 489751689 /nfs/dbraw/zinc/75/16/89/489751689.db2.gz GSLQLZZMKXOSDZ-SFHVURJKSA-N 2 2 370.457 0.604 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418846717 489753119 /nfs/dbraw/zinc/75/31/19/489753119.db2.gz SPEXFCHUTLNABT-DZGCQCFKSA-N 2 2 371.441 0.718 20 0 FCADLP COc1ccc(CN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430611521 489753799 /nfs/dbraw/zinc/75/37/99/489753799.db2.gz OGZMAMIVPZYUST-UHFFFAOYSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(CN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430611521 489753802 /nfs/dbraw/zinc/75/38/02/489753802.db2.gz OGZMAMIVPZYUST-UHFFFAOYSA-N 2 2 374.485 0.550 20 0 FCADLP [NH3+][C@@H]1CCC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430619097 489754607 /nfs/dbraw/zinc/75/46/07/489754607.db2.gz ZAUUOSRVUXMSOY-OAHLLOKOSA-N 2 2 369.487 0.509 20 0 FCADLP [NH3+][C@@H]1CCC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430619097 489754613 /nfs/dbraw/zinc/75/46/13/489754613.db2.gz ZAUUOSRVUXMSOY-OAHLLOKOSA-N 2 2 369.487 0.509 20 0 FCADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430619910 489755927 /nfs/dbraw/zinc/75/59/27/489755927.db2.gz GXKIOCUCCXLFHL-HNNXBMFYSA-N 2 2 364.515 0.948 20 0 FCADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430619910 489755928 /nfs/dbraw/zinc/75/59/28/489755928.db2.gz GXKIOCUCCXLFHL-HNNXBMFYSA-N 2 2 364.515 0.948 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430622310 489756815 /nfs/dbraw/zinc/75/68/15/489756815.db2.gz FIWXSULXHZJDSB-ZIUDEIKKSA-N 2 2 362.518 0.824 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430622310 489756819 /nfs/dbraw/zinc/75/68/19/489756819.db2.gz FIWXSULXHZJDSB-ZIUDEIKKSA-N 2 2 362.518 0.824 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000459825468 489761114 /nfs/dbraw/zinc/76/11/14/489761114.db2.gz DUOGLGGLDYRPTR-INIZCTEOSA-N 2 2 359.474 0.529 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000459825468 489761119 /nfs/dbraw/zinc/76/11/19/489761119.db2.gz DUOGLGGLDYRPTR-INIZCTEOSA-N 2 2 359.474 0.529 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@@H]1CCO ZINC000459828706 489761682 /nfs/dbraw/zinc/76/16/82/489761682.db2.gz FHYRXOUPDLMZLE-QGZVFWFLSA-N 2 2 368.522 0.234 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@@H]1CCO ZINC000459828706 489761685 /nfs/dbraw/zinc/76/16/85/489761685.db2.gz FHYRXOUPDLMZLE-QGZVFWFLSA-N 2 2 368.522 0.234 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430651623 489763473 /nfs/dbraw/zinc/76/34/73/489763473.db2.gz LNYLGLWJLHUEMC-UHFFFAOYSA-N 2 2 368.865 0.328 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430651623 489763477 /nfs/dbraw/zinc/76/34/77/489763477.db2.gz LNYLGLWJLHUEMC-UHFFFAOYSA-N 2 2 368.865 0.328 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)c1 ZINC000418865359 489764553 /nfs/dbraw/zinc/76/45/53/489764553.db2.gz ROGPRACGTWTNLH-ZDUSSCGKSA-N 2 2 358.389 0.124 20 0 FCADLP CC(C)[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000430689187 489764956 /nfs/dbraw/zinc/76/49/56/489764956.db2.gz BFYSCHFSFVVVSS-SFHVURJKSA-N 2 2 358.486 0.617 20 0 FCADLP CC(C)[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCc2ccccc2C1 ZINC000430689187 489764958 /nfs/dbraw/zinc/76/49/58/489764958.db2.gz BFYSCHFSFVVVSS-SFHVURJKSA-N 2 2 358.486 0.617 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000555858466 491277470 /nfs/dbraw/zinc/27/74/70/491277470.db2.gz XGBDJWRZBPCUMU-IKGGRYGDSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000555858466 491277472 /nfs/dbraw/zinc/27/74/72/491277472.db2.gz XGBDJWRZBPCUMU-IKGGRYGDSA-N 2 2 368.522 0.401 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000418873206 489769119 /nfs/dbraw/zinc/76/91/19/489769119.db2.gz HVLKNHJKTRJGIQ-WFASDCNBSA-N 2 2 352.866 0.879 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000555857302 491277645 /nfs/dbraw/zinc/27/76/45/491277645.db2.gz HADPVZJDOAKQMW-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000570972973 491277698 /nfs/dbraw/zinc/27/76/98/491277698.db2.gz VGOBNZDGMYVOFV-MRXNPFEDSA-N 2 2 366.506 0.322 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000570972973 491277699 /nfs/dbraw/zinc/27/76/99/491277699.db2.gz VGOBNZDGMYVOFV-MRXNPFEDSA-N 2 2 366.506 0.322 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]1 ZINC000418882223 489773315 /nfs/dbraw/zinc/77/33/15/489773315.db2.gz YLBFKBODLDQEET-IUODEOHRSA-N 2 2 352.866 0.879 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418885071 489774159 /nfs/dbraw/zinc/77/41/59/489774159.db2.gz HDSIGGGBTCKMNA-HNNXBMFYSA-N 2 2 357.458 0.967 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H](C)[N@H+]1C ZINC000459868193 489774821 /nfs/dbraw/zinc/77/48/21/489774821.db2.gz TWTSEZIKBVQPSM-GASCZTMLSA-N 2 2 364.515 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H](C)[N@@H+]1C ZINC000459868193 489774825 /nfs/dbraw/zinc/77/48/25/489774825.db2.gz TWTSEZIKBVQPSM-GASCZTMLSA-N 2 2 364.515 0.943 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000459875313 489777093 /nfs/dbraw/zinc/77/70/93/489777093.db2.gz ZNKDNJMDKJVHLM-QGZVFWFLSA-N 2 2 360.458 0.862 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924612 489777535 /nfs/dbraw/zinc/77/75/35/489777535.db2.gz AWQFMVAJBFYJMU-HIFRSBDPSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000430924612 489777539 /nfs/dbraw/zinc/77/75/39/489777539.db2.gz AWQFMVAJBFYJMU-HIFRSBDPSA-N 2 2 368.503 0.853 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000459877504 489777668 /nfs/dbraw/zinc/77/76/68/489777668.db2.gz BKBRNILGDDEEGX-UHFFFAOYSA-N 2 2 369.469 0.765 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)Cc3[nH+]ccn3C)CC2)c1 ZINC000459878497 489778093 /nfs/dbraw/zinc/77/80/93/489778093.db2.gz DQSJVFJYSGLNGO-UHFFFAOYSA-N 2 2 356.430 0.431 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000430930998 489778159 /nfs/dbraw/zinc/77/81/59/489778159.db2.gz BXYLKLLKJRLQQG-KBPBESRZSA-N 2 2 350.488 0.702 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000430930998 489778164 /nfs/dbraw/zinc/77/81/64/489778164.db2.gz BXYLKLLKJRLQQG-KBPBESRZSA-N 2 2 350.488 0.702 20 0 FCADLP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000430927632 489778276 /nfs/dbraw/zinc/77/82/76/489778276.db2.gz RNLAHCDSYRCFEA-UHFFFAOYSA-N 2 2 374.894 0.857 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430927929 489778731 /nfs/dbraw/zinc/77/87/31/489778731.db2.gz SAPZUMASFIEDPX-RWMBFGLXSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430927929 489778733 /nfs/dbraw/zinc/77/87/33/489778733.db2.gz SAPZUMASFIEDPX-RWMBFGLXSA-N 2 2 354.476 0.720 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430929282 489778853 /nfs/dbraw/zinc/77/88/53/489778853.db2.gz ORDFZRQLWQPWKQ-JSGCOSHPSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430929282 489778856 /nfs/dbraw/zinc/77/88/56/489778856.db2.gz ORDFZRQLWQPWKQ-JSGCOSHPSA-N 2 2 351.447 0.998 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000430941204 489779559 /nfs/dbraw/zinc/77/95/59/489779559.db2.gz UXKNWZFXGLLFNF-IRXDYDNUSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000430941204 489779562 /nfs/dbraw/zinc/77/95/62/489779562.db2.gz UXKNWZFXGLLFNF-IRXDYDNUSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000376705540 489780198 /nfs/dbraw/zinc/78/01/98/489780198.db2.gz FOZHHGFLPUKADV-ULQDDVLXSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000376705540 489780203 /nfs/dbraw/zinc/78/02/03/489780203.db2.gz FOZHHGFLPUKADV-ULQDDVLXSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H](C)[NH2+]1 ZINC000430949401 489781064 /nfs/dbraw/zinc/78/10/64/489781064.db2.gz CSJVHLXLPNNUAN-IRXDYDNUSA-N 2 2 372.513 0.948 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000430964188 489781784 /nfs/dbraw/zinc/78/17/84/489781784.db2.gz CWUDISTUJQNFFQ-IAGOWNOFSA-N 2 2 360.502 0.817 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC000459888418 489782338 /nfs/dbraw/zinc/78/23/38/489782338.db2.gz STXQBGNZMVRZOJ-MOPGFXCFSA-N 2 2 370.497 0.536 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC000459888418 489782343 /nfs/dbraw/zinc/78/23/43/489782343.db2.gz STXQBGNZMVRZOJ-MOPGFXCFSA-N 2 2 370.497 0.536 20 0 FCADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000431020217 489785272 /nfs/dbraw/zinc/78/52/72/489785272.db2.gz XQSCCWWZMGAIMA-HNNXBMFYSA-N 2 2 360.458 0.778 20 0 FCADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000431020217 489785276 /nfs/dbraw/zinc/78/52/76/489785276.db2.gz XQSCCWWZMGAIMA-HNNXBMFYSA-N 2 2 360.458 0.778 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418908797 489786654 /nfs/dbraw/zinc/78/66/54/489786654.db2.gz SNRSOWKVJRWEQD-UHFFFAOYSA-N 2 2 357.458 0.991 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000459909338 489788246 /nfs/dbraw/zinc/78/82/46/489788246.db2.gz QVGCEHUUZVNFQR-UHFFFAOYSA-N 2 2 370.538 0.602 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000459909338 489788248 /nfs/dbraw/zinc/78/82/48/489788248.db2.gz QVGCEHUUZVNFQR-UHFFFAOYSA-N 2 2 370.538 0.602 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000459916800 489791069 /nfs/dbraw/zinc/79/10/69/489791069.db2.gz ITIHJYZHGYJCMG-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000459916800 489791072 /nfs/dbraw/zinc/79/10/72/489791072.db2.gz ITIHJYZHGYJCMG-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418933460 489795175 /nfs/dbraw/zinc/79/51/75/489795175.db2.gz ASXKISQULISXCE-QWHCGFSZSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418933460 489795177 /nfs/dbraw/zinc/79/51/77/489795177.db2.gz ASXKISQULISXCE-QWHCGFSZSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)CCO1 ZINC000459931319 489798327 /nfs/dbraw/zinc/79/83/27/489798327.db2.gz ISUWRDQPTNRLPR-OAHLLOKOSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)CCO1 ZINC000459931319 489798332 /nfs/dbraw/zinc/79/83/32/489798332.db2.gz ISUWRDQPTNRLPR-OAHLLOKOSA-N 2 2 364.490 0.005 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000459930346 489798516 /nfs/dbraw/zinc/79/85/16/489798516.db2.gz NEBACGBHHREXQN-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000459930346 489798520 /nfs/dbraw/zinc/79/85/20/489798520.db2.gz NEBACGBHHREXQN-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418943184 489798819 /nfs/dbraw/zinc/79/88/19/489798819.db2.gz MSHICDTYEBKERV-UHFFFAOYSA-N 2 2 350.488 0.433 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418943184 489798823 /nfs/dbraw/zinc/79/88/23/489798823.db2.gz MSHICDTYEBKERV-UHFFFAOYSA-N 2 2 350.488 0.433 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418950044 489801366 /nfs/dbraw/zinc/80/13/66/489801366.db2.gz VKJNRKXBPVCYFT-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418950044 489801370 /nfs/dbraw/zinc/80/13/70/489801370.db2.gz VKJNRKXBPVCYFT-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@@H](C)C[NH2+]1 ZINC000418950581 489801546 /nfs/dbraw/zinc/80/15/46/489801546.db2.gz WFSUTOZEEBENOR-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@@H](C)C[NH2+]1 ZINC000418950581 489801552 /nfs/dbraw/zinc/80/15/52/489801552.db2.gz WFSUTOZEEBENOR-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418952384 489802607 /nfs/dbraw/zinc/80/26/07/489802607.db2.gz YGHXHIOOJQPQJZ-KRWDZBQOSA-N 2 2 350.488 0.420 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418952384 489802610 /nfs/dbraw/zinc/80/26/10/489802610.db2.gz YGHXHIOOJQPQJZ-KRWDZBQOSA-N 2 2 350.488 0.420 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC1(O)CCCC1 ZINC000459992717 489810231 /nfs/dbraw/zinc/81/02/31/489810231.db2.gz RJFCUWYKANVVEL-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC1(O)CCCC1 ZINC000459992717 489810235 /nfs/dbraw/zinc/81/02/35/489810235.db2.gz RJFCUWYKANVVEL-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459993306 489811670 /nfs/dbraw/zinc/81/16/70/489811670.db2.gz SJHPXTQWYJPVDV-IBGZPJMESA-N 2 2 368.522 0.498 20 0 FCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459993306 489811678 /nfs/dbraw/zinc/81/16/78/489811678.db2.gz SJHPXTQWYJPVDV-IBGZPJMESA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000459994794 489812243 /nfs/dbraw/zinc/81/22/43/489812243.db2.gz WOJCUBKLCIWNHQ-HNNXBMFYSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000459994794 489812248 /nfs/dbraw/zinc/81/22/48/489812248.db2.gz WOJCUBKLCIWNHQ-HNNXBMFYSA-N 2 2 368.522 0.497 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968572 491280612 /nfs/dbraw/zinc/28/06/12/491280612.db2.gz DHNLVJNWLWVEKQ-HOCLYGCPSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968572 491280613 /nfs/dbraw/zinc/28/06/13/491280613.db2.gz DHNLVJNWLWVEKQ-HOCLYGCPSA-N 2 2 373.519 0.527 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459995569 489813115 /nfs/dbraw/zinc/81/31/15/489813115.db2.gz YPPRUVOLQPQJTR-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459995569 489813118 /nfs/dbraw/zinc/81/31/18/489813118.db2.gz YPPRUVOLQPQJTR-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CO[C@H]1CCN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)[C@H](C[NH3+])C1 ZINC000419001218 489814595 /nfs/dbraw/zinc/81/45/95/489814595.db2.gz SEIDJEVQNAQUJW-GJZGRUSLSA-N 2 2 373.457 0.426 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000419006406 489814858 /nfs/dbraw/zinc/81/48/58/489814858.db2.gz WGEPXENOYMTAFG-HNNXBMFYSA-N 2 2 357.458 0.919 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419005864 489815472 /nfs/dbraw/zinc/81/54/72/489815472.db2.gz PLHODCPGEDXFRQ-QGZVFWFLSA-N 2 2 362.474 0.595 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419005864 489815475 /nfs/dbraw/zinc/81/54/75/489815475.db2.gz PLHODCPGEDXFRQ-QGZVFWFLSA-N 2 2 362.474 0.595 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000419016074 489819718 /nfs/dbraw/zinc/81/97/18/489819718.db2.gz LZVJSJOBUOBWLL-CQSZACIVSA-N 2 2 361.833 0.711 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@H]1[NH3+] ZINC000419016906 489819751 /nfs/dbraw/zinc/81/97/51/489819751.db2.gz AHTKUHIORPEGQQ-IUODEOHRSA-N 2 2 359.405 0.823 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419018871 489820853 /nfs/dbraw/zinc/82/08/53/489820853.db2.gz CTEIUKVYKVZKKL-CABCVRRESA-N 2 2 371.416 0.981 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419022183 489821358 /nfs/dbraw/zinc/82/13/58/489821358.db2.gz HWGTZEBRJHQZEI-AWEZNQCLSA-N 2 2 359.405 0.967 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419025130 489822752 /nfs/dbraw/zinc/82/27/52/489822752.db2.gz LWCUUKABBPWCDO-QWHCGFSZSA-N 2 2 359.405 0.836 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(F)cn1 ZINC000492397831 489827233 /nfs/dbraw/zinc/82/72/33/489827233.db2.gz GEPJCGFRVJNWBY-UHFFFAOYSA-N 2 2 365.453 0.321 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(F)cn1 ZINC000492397831 489827237 /nfs/dbraw/zinc/82/72/37/489827237.db2.gz GEPJCGFRVJNWBY-UHFFFAOYSA-N 2 2 365.453 0.321 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]1 ZINC000419034050 489827269 /nfs/dbraw/zinc/82/72/69/489827269.db2.gz ZABFYXHZYVGLAD-UHFFFAOYSA-N 2 2 359.405 0.838 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000555906212 491281515 /nfs/dbraw/zinc/28/15/15/491281515.db2.gz HAYJHKKTPUCOHC-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]C1 ZINC000419042015 489830914 /nfs/dbraw/zinc/83/09/14/489830914.db2.gz OROLAQLYUNCZRP-IBGZPJMESA-N 2 2 355.442 0.994 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000460052853 489833621 /nfs/dbraw/zinc/83/36/21/489833621.db2.gz CJYDYSAPJOHZSH-CVEARBPZSA-N 2 2 359.474 0.823 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000460052856 489833904 /nfs/dbraw/zinc/83/39/04/489833904.db2.gz CJYDYSAPJOHZSH-HOTGVXAUSA-N 2 2 359.474 0.823 20 0 FCADLP CCC(CC)[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000492811897 489836551 /nfs/dbraw/zinc/83/65/51/489836551.db2.gz XMMRHPFEXMEXKL-AEFFLSMTSA-N 2 2 354.539 0.876 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000492811907 489836763 /nfs/dbraw/zinc/83/67/63/489836763.db2.gz XMMRHPFEXMEXKL-FUHWJXTLSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000419055456 489837532 /nfs/dbraw/zinc/83/75/32/489837532.db2.gz BCADROCDECNWRO-XJKCOSOUSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000563993594 491282602 /nfs/dbraw/zinc/28/26/02/491282602.db2.gz AIYMQTMITIMYAC-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377056058 489844988 /nfs/dbraw/zinc/84/49/88/489844988.db2.gz JEGZFMKBXFXSFS-DLBZAZTESA-N 2 2 360.506 0.775 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367218 489845311 /nfs/dbraw/zinc/84/53/11/489845311.db2.gz FJZFTFGLNXFWJX-GOSISDBHSA-N 3 2 361.490 0.431 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367218 489845315 /nfs/dbraw/zinc/84/53/15/489845315.db2.gz FJZFTFGLNXFWJX-GOSISDBHSA-N 3 2 361.490 0.431 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419071799 489845367 /nfs/dbraw/zinc/84/53/67/489845367.db2.gz JBVGLDDJXPVGAA-WFASDCNBSA-N 2 2 359.405 0.585 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000460085305 489848508 /nfs/dbraw/zinc/84/85/08/489848508.db2.gz XWPDIDRNPCBBBT-CALCHBBNSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000460085305 489848512 /nfs/dbraw/zinc/84/85/12/489848512.db2.gz XWPDIDRNPCBBBT-CALCHBBNSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000460085305 489848515 /nfs/dbraw/zinc/84/85/15/489848515.db2.gz XWPDIDRNPCBBBT-CALCHBBNSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000460085305 489848519 /nfs/dbraw/zinc/84/85/19/489848519.db2.gz XWPDIDRNPCBBBT-CALCHBBNSA-N 2 2 368.522 0.497 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000419087489 489851442 /nfs/dbraw/zinc/85/14/42/489851442.db2.gz ZTPKVIUNRHYLPQ-CABCVRRESA-N 2 2 359.405 0.715 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000493603290 489851987 /nfs/dbraw/zinc/85/19/87/489851987.db2.gz IYVJEGOMTPLUNI-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2C(N)=O)cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000432822616 489855941 /nfs/dbraw/zinc/85/59/41/489855941.db2.gz GISFPWIKPDCZLY-IAGOWNOFSA-N 2 2 360.458 0.595 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2C(N)=O)cc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000432822616 489855945 /nfs/dbraw/zinc/85/59/45/489855945.db2.gz GISFPWIKPDCZLY-IAGOWNOFSA-N 2 2 360.458 0.595 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419107081 489857837 /nfs/dbraw/zinc/85/78/37/489857837.db2.gz OHDGNMLDPBVMHH-ZDUSSCGKSA-N 2 2 367.881 0.042 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000419112477 489859623 /nfs/dbraw/zinc/85/96/23/489859623.db2.gz FVOZCYLDTZSJKZ-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000419117978 489863150 /nfs/dbraw/zinc/86/31/50/489863150.db2.gz MYBDFDBXTVYLRE-IBGZPJMESA-N 2 2 359.474 0.885 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000419118515 489863507 /nfs/dbraw/zinc/86/35/07/489863507.db2.gz NXFOOAUIZCQKOU-IXDOHACOSA-N 2 2 371.485 0.884 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+]1CCOCC1 ZINC000419117994 489863658 /nfs/dbraw/zinc/86/36/58/489863658.db2.gz NAOYSNHCJULSAI-OAGGEKHMSA-N 2 2 354.495 0.106 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119808 489864077 /nfs/dbraw/zinc/86/40/77/489864077.db2.gz PGCHLHUHGVKCKJ-GVDBMIGSSA-N 2 2 368.522 0.435 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122048 489866141 /nfs/dbraw/zinc/86/61/41/489866141.db2.gz SXUBDJOSRHJHJV-BZUAXINKSA-N 2 2 354.495 0.093 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419122433 489866364 /nfs/dbraw/zinc/86/63/64/489866364.db2.gz UBECEJCDMINOES-LSDHHAIUSA-N 2 2 359.474 0.897 20 0 FCADLP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000433138331 489868040 /nfs/dbraw/zinc/86/80/40/489868040.db2.gz ROFXKHVPEHZVKP-KRWDZBQOSA-N 2 2 362.474 0.918 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000433150290 489868431 /nfs/dbraw/zinc/86/84/31/489868431.db2.gz LJZXCXSMELBFJW-ARFHVFGLSA-N 2 2 356.511 0.197 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180046 489873155 /nfs/dbraw/zinc/87/31/55/489873155.db2.gz QVDRFZLDJPULBQ-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180046 489873158 /nfs/dbraw/zinc/87/31/58/489873158.db2.gz QVDRFZLDJPULBQ-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000494180046 489873161 /nfs/dbraw/zinc/87/31/61/489873161.db2.gz QVDRFZLDJPULBQ-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000494180046 489873165 /nfs/dbraw/zinc/87/31/65/489873165.db2.gz QVDRFZLDJPULBQ-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205941 489873856 /nfs/dbraw/zinc/87/38/56/489873856.db2.gz UCYQWKUZLBQEEW-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205941 489873859 /nfs/dbraw/zinc/87/38/59/489873859.db2.gz UCYQWKUZLBQEEW-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205941 489873862 /nfs/dbraw/zinc/87/38/62/489873862.db2.gz UCYQWKUZLBQEEW-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000494205941 489873865 /nfs/dbraw/zinc/87/38/65/489873865.db2.gz UCYQWKUZLBQEEW-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000419991313 489874678 /nfs/dbraw/zinc/87/46/78/489874678.db2.gz IIWGNZFYKMNQEF-ZDUSSCGKSA-N 2 2 362.478 0.411 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC000433298111 489875446 /nfs/dbraw/zinc/87/54/46/489875446.db2.gz YIXWSVLJCMMFLG-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC000433298111 489875449 /nfs/dbraw/zinc/87/54/49/489875449.db2.gz YIXWSVLJCMMFLG-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419998970 489877710 /nfs/dbraw/zinc/87/77/10/489877710.db2.gz OATISIDSMZOJAX-INIZCTEOSA-N 2 2 362.474 0.439 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420003509 489878617 /nfs/dbraw/zinc/87/86/17/489878617.db2.gz SZESHUVZRWKJGT-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420003509 489878622 /nfs/dbraw/zinc/87/86/22/489878622.db2.gz SZESHUVZRWKJGT-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP CC(C)[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000433380657 489879552 /nfs/dbraw/zinc/87/95/52/489879552.db2.gz DNICXOPVDLQMCE-CABCVRRESA-N 2 2 350.467 0.289 20 0 FCADLP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000433382471 489881003 /nfs/dbraw/zinc/88/10/03/489881003.db2.gz OJZLDQMKLXPEAL-JKSUJKDBSA-N 2 2 362.478 0.530 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000420019187 489882366 /nfs/dbraw/zinc/88/23/66/489882366.db2.gz ZWXDVHMXDXXXPJ-ZIAGYGMSSA-N 2 2 361.446 0.125 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000420028327 489886188 /nfs/dbraw/zinc/88/61/88/489886188.db2.gz MGARWHASNRZYMN-HOTGVXAUSA-N 2 2 362.474 0.199 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000433557842 489892068 /nfs/dbraw/zinc/89/20/68/489892068.db2.gz KEVAUHISWAHGMF-HOTGVXAUSA-N 2 2 354.495 0.650 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCS1(=O)=O ZINC000571102079 491285859 /nfs/dbraw/zinc/28/58/59/491285859.db2.gz FMWMKDFNUYQZIK-INIZCTEOSA-N 2 2 366.487 0.287 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000420060196 489897957 /nfs/dbraw/zinc/89/79/57/489897957.db2.gz POAJYZWQTTWXNF-LSDHHAIUSA-N 2 2 362.478 0.249 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420075383 489904484 /nfs/dbraw/zinc/90/44/84/489904484.db2.gz SDWAENMPCXBJIA-ZBFHGGJFSA-N 2 2 361.490 0.835 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000420081401 489905517 /nfs/dbraw/zinc/90/55/17/489905517.db2.gz STGLHDQAHNEGRH-CQSZACIVSA-N 2 2 362.474 0.754 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000420081627 489905654 /nfs/dbraw/zinc/90/56/54/489905654.db2.gz NTXQLKDHZKEWFK-HNNXBMFYSA-N 2 2 361.490 0.921 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420092964 489908977 /nfs/dbraw/zinc/90/89/77/489908977.db2.gz CHNFYESEJQBCOF-NUJGCVRESA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420092964 489908982 /nfs/dbraw/zinc/90/89/82/489908982.db2.gz CHNFYESEJQBCOF-NUJGCVRESA-N 2 2 358.486 0.834 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000420091589 489909043 /nfs/dbraw/zinc/90/90/43/489909043.db2.gz NEJMXODJJYHYIT-UHFFFAOYSA-N 2 2 359.474 0.923 20 0 FCADLP C[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1nncn1C ZINC000494787316 489913833 /nfs/dbraw/zinc/91/38/33/489913833.db2.gz ZJFJCANEEKUSCK-OAHLLOKOSA-N 2 2 364.494 0.617 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000564072657 491287027 /nfs/dbraw/zinc/28/70/27/491287027.db2.gz GWPLSYPRBPNUGL-INIZCTEOSA-N 2 2 364.494 0.067 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000564072657 491287029 /nfs/dbraw/zinc/28/70/29/491287029.db2.gz GWPLSYPRBPNUGL-INIZCTEOSA-N 2 2 364.494 0.067 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000420129354 489923183 /nfs/dbraw/zinc/92/31/83/489923183.db2.gz QMURNCKDWMXABY-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000420129354 489923186 /nfs/dbraw/zinc/92/31/86/489923186.db2.gz QMURNCKDWMXABY-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000495227821 489932514 /nfs/dbraw/zinc/93/25/14/489932514.db2.gz IKWAJYLEYMZQSE-SJLPKXTDSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000495227821 489932517 /nfs/dbraw/zinc/93/25/17/489932517.db2.gz IKWAJYLEYMZQSE-SJLPKXTDSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420154207 489933541 /nfs/dbraw/zinc/93/35/41/489933541.db2.gz DBJKLUGHNRXIKT-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420154207 489933542 /nfs/dbraw/zinc/93/35/42/489933542.db2.gz DBJKLUGHNRXIKT-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661138 489938624 /nfs/dbraw/zinc/93/86/24/489938624.db2.gz CRQRMJRWOCRSLD-SJLPKXTDSA-N 3 2 351.539 0.249 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661138 489938626 /nfs/dbraw/zinc/93/86/26/489938626.db2.gz CRQRMJRWOCRSLD-SJLPKXTDSA-N 3 2 351.539 0.249 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420172531 489939552 /nfs/dbraw/zinc/93/95/52/489939552.db2.gz VSPQOVWACDANGN-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420184622 489944570 /nfs/dbraw/zinc/94/45/70/489944570.db2.gz AVWRFYZTQLYMPG-WMZOPIPTSA-N 2 2 358.486 0.883 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420188964 489946147 /nfs/dbraw/zinc/94/61/47/489946147.db2.gz UIWQEYKMDWFJAY-VMPITWQZSA-N 2 2 374.485 0.196 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420190732 489946623 /nfs/dbraw/zinc/94/66/23/489946623.db2.gz PKUZCZQLQNLQMU-CABCVRRESA-N 2 2 363.462 0.451 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000434692079 489947288 /nfs/dbraw/zinc/94/72/88/489947288.db2.gz DGTCLDASJXZCNF-UHFFFAOYSA-N 2 2 370.538 0.256 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000434692079 489947291 /nfs/dbraw/zinc/94/72/91/489947291.db2.gz DGTCLDASJXZCNF-UHFFFAOYSA-N 2 2 370.538 0.256 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000477209788 489949970 /nfs/dbraw/zinc/94/99/70/489949970.db2.gz WJWCRIRNTOONTL-VQIMIIECSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420218195 489955414 /nfs/dbraw/zinc/95/54/14/489955414.db2.gz WBSJRNGNRUYWNE-GVDBMIGSSA-N 2 2 366.506 0.060 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377777205 489957478 /nfs/dbraw/zinc/95/74/78/489957478.db2.gz DIUFVLGEYQZEPH-DLBZAZTESA-N 2 2 359.474 0.183 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377777205 489957481 /nfs/dbraw/zinc/95/74/81/489957481.db2.gz DIUFVLGEYQZEPH-DLBZAZTESA-N 2 2 359.474 0.183 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c(=O)[nH]c1=O ZINC000420313901 489962457 /nfs/dbraw/zinc/96/24/57/489962457.db2.gz QEVSSTFKUQMJSW-LBPRGKRZSA-N 2 2 351.451 0.588 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)c(=O)[nH]c1=O ZINC000420313901 489962460 /nfs/dbraw/zinc/96/24/60/489962460.db2.gz QEVSSTFKUQMJSW-LBPRGKRZSA-N 2 2 351.451 0.588 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1S(N)(=O)=O ZINC000420310770 489962485 /nfs/dbraw/zinc/96/24/85/489962485.db2.gz GUCPOULSALURCA-AWEZNQCLSA-N 2 2 354.476 0.784 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1S(N)(=O)=O ZINC000420310770 489962489 /nfs/dbraw/zinc/96/24/89/489962489.db2.gz GUCPOULSALURCA-AWEZNQCLSA-N 2 2 354.476 0.784 20 0 FCADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000420340308 489964757 /nfs/dbraw/zinc/96/47/57/489964757.db2.gz RFAXDDFRVNKQGZ-UHFFFAOYSA-N 2 2 368.503 0.951 20 0 FCADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000420340308 489964761 /nfs/dbraw/zinc/96/47/61/489964761.db2.gz RFAXDDFRVNKQGZ-UHFFFAOYSA-N 2 2 368.503 0.951 20 0 FCADLP CS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420344704 489965655 /nfs/dbraw/zinc/96/56/55/489965655.db2.gz UILGLLRQDUYCCP-OKILXGFUSA-N 2 2 351.472 0.960 20 0 FCADLP CS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420344704 489965658 /nfs/dbraw/zinc/96/56/58/489965658.db2.gz UILGLLRQDUYCCP-OKILXGFUSA-N 2 2 351.472 0.960 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000377860322 489969283 /nfs/dbraw/zinc/96/92/83/489969283.db2.gz JERSMSSUJSEJNB-MRXNPFEDSA-N 2 2 363.506 0.563 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000377860322 489969288 /nfs/dbraw/zinc/96/92/88/489969288.db2.gz JERSMSSUJSEJNB-MRXNPFEDSA-N 2 2 363.506 0.563 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000420386936 489970638 /nfs/dbraw/zinc/97/06/38/489970638.db2.gz VJFCSUJPBJUAPA-NWDGAFQWSA-N 2 2 354.401 0.936 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000420386936 489970640 /nfs/dbraw/zinc/97/06/40/489970640.db2.gz VJFCSUJPBJUAPA-NWDGAFQWSA-N 2 2 354.401 0.936 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420396327 489971821 /nfs/dbraw/zinc/97/18/21/489971821.db2.gz VSGROFUZQAFQER-CVEARBPZSA-N 2 2 362.474 0.479 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420396327 489971828 /nfs/dbraw/zinc/97/18/28/489971828.db2.gz VSGROFUZQAFQER-CVEARBPZSA-N 2 2 362.474 0.479 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416283 489973517 /nfs/dbraw/zinc/97/35/17/489973517.db2.gz VRLIRGHMNWNNJL-HUUCEWRRSA-N 2 2 362.474 0.820 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416283 489973519 /nfs/dbraw/zinc/97/35/19/489973519.db2.gz VRLIRGHMNWNNJL-HUUCEWRRSA-N 2 2 362.474 0.820 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462418080 489974706 /nfs/dbraw/zinc/97/47/06/489974706.db2.gz XKRKDFIHCQUCDK-IBGZPJMESA-N 2 2 360.458 0.778 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462418080 489974708 /nfs/dbraw/zinc/97/47/08/489974708.db2.gz XKRKDFIHCQUCDK-IBGZPJMESA-N 2 2 360.458 0.778 20 0 FCADLP COCC[C@@H](COC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462514974 489979980 /nfs/dbraw/zinc/97/99/80/489979980.db2.gz BTWBTFHNKPYWEO-CVEARBPZSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[C@@H](COC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462514974 489979982 /nfs/dbraw/zinc/97/99/82/489979982.db2.gz BTWBTFHNKPYWEO-CVEARBPZSA-N 2 2 356.511 0.848 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000564188244 491292839 /nfs/dbraw/zinc/29/28/39/491292839.db2.gz LREFOGOYBHTWEL-UHFFFAOYSA-N 2 2 351.495 0.326 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435389390 490000716 /nfs/dbraw/zinc/00/07/16/490000716.db2.gz LWZPKMONULTFGN-HNNXBMFYSA-N 2 2 353.488 0.878 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435389390 490000721 /nfs/dbraw/zinc/00/07/21/490000721.db2.gz LWZPKMONULTFGN-HNNXBMFYSA-N 2 2 353.488 0.878 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000435397720 490000944 /nfs/dbraw/zinc/00/09/44/490000944.db2.gz JRYGBEJJFANURS-ZDUSSCGKSA-N 2 2 351.447 0.999 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000435397720 490000949 /nfs/dbraw/zinc/00/09/49/490000949.db2.gz JRYGBEJJFANURS-ZDUSSCGKSA-N 2 2 351.447 0.999 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000571150419 491288838 /nfs/dbraw/zinc/28/88/38/491288838.db2.gz GZKOPVXWLYZJDQ-CVEARBPZSA-N 2 2 352.479 0.004 20 0 FCADLP C[C@H]1C[NH+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000463353341 490012752 /nfs/dbraw/zinc/01/27/52/490012752.db2.gz UCXHJUPVNFPDFZ-HOTGVXAUSA-N 2 2 363.524 0.127 20 0 FCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)ccn1 ZINC000463487628 490020080 /nfs/dbraw/zinc/02/00/80/490020080.db2.gz YUQDICXAIVKGQE-GOSISDBHSA-N 2 2 370.453 0.738 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420932460 490032740 /nfs/dbraw/zinc/03/27/40/490032740.db2.gz HDAXZVHAXTYBDV-QGZVFWFLSA-N 2 2 353.488 0.772 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420932460 490032746 /nfs/dbraw/zinc/03/27/46/490032746.db2.gz HDAXZVHAXTYBDV-QGZVFWFLSA-N 2 2 353.488 0.772 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000438313257 490033553 /nfs/dbraw/zinc/03/35/53/490033553.db2.gz LXABBPUKHLWLGN-CVEARBPZSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000438313257 490033555 /nfs/dbraw/zinc/03/35/55/490033555.db2.gz LXABBPUKHLWLGN-CVEARBPZSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(NCC[NH+]1CCCCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438316893 490033569 /nfs/dbraw/zinc/03/35/69/490033569.db2.gz XBRKYCPHWLCOPX-UHFFFAOYSA-N 2 2 364.494 1.213 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421020086 490043469 /nfs/dbraw/zinc/04/34/69/490043469.db2.gz YVANUJARAZWOKV-UHFFFAOYSA-N 2 2 353.511 0.714 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421020086 490043473 /nfs/dbraw/zinc/04/34/73/490043473.db2.gz YVANUJARAZWOKV-UHFFFAOYSA-N 2 2 353.511 0.714 20 0 FCADLP CCCNC(=O)NC(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421020086 490043477 /nfs/dbraw/zinc/04/34/77/490043477.db2.gz YVANUJARAZWOKV-UHFFFAOYSA-N 2 2 353.511 0.714 20 0 FCADLP CCCNC(=O)NC(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421020086 490043482 /nfs/dbraw/zinc/04/34/82/490043482.db2.gz YVANUJARAZWOKV-UHFFFAOYSA-N 2 2 353.511 0.714 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000556111850 491295686 /nfs/dbraw/zinc/29/56/86/491295686.db2.gz RVFSYJYOEAQOAI-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000479068933 490064771 /nfs/dbraw/zinc/06/47/71/490064771.db2.gz XUKVMCHWISQMLS-HUUCEWRRSA-N 2 2 354.520 0.847 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000479068933 490064774 /nfs/dbraw/zinc/06/47/74/490064774.db2.gz XUKVMCHWISQMLS-HUUCEWRRSA-N 2 2 354.520 0.847 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000479068930 490064890 /nfs/dbraw/zinc/06/48/90/490064890.db2.gz XUKVMCHWISQMLS-CABCVRRESA-N 2 2 354.520 0.847 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000479068930 490064895 /nfs/dbraw/zinc/06/48/95/490064895.db2.gz XUKVMCHWISQMLS-CABCVRRESA-N 2 2 354.520 0.847 20 0 FCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793743 490068465 /nfs/dbraw/zinc/06/84/65/490068465.db2.gz TYWNYVAQUOKMRZ-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793743 490068471 /nfs/dbraw/zinc/06/84/71/490068471.db2.gz TYWNYVAQUOKMRZ-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793743 490068479 /nfs/dbraw/zinc/06/84/79/490068479.db2.gz TYWNYVAQUOKMRZ-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793743 490068484 /nfs/dbraw/zinc/06/84/84/490068484.db2.gz TYWNYVAQUOKMRZ-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000495659702 490086793 /nfs/dbraw/zinc/08/67/93/490086793.db2.gz YBANWJKFGLQWOK-KRWDZBQOSA-N 2 2 362.449 0.680 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000495659702 490086798 /nfs/dbraw/zinc/08/67/98/490086798.db2.gz YBANWJKFGLQWOK-KRWDZBQOSA-N 2 2 362.449 0.680 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@H]1[NH+](C)C ZINC000465181481 490091078 /nfs/dbraw/zinc/09/10/78/490091078.db2.gz DOLDFISBVDJMKR-NVXWUHKLSA-N 2 2 365.522 0.522 20 0 FCADLP CCC(CC)[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000495765665 490092032 /nfs/dbraw/zinc/09/20/32/490092032.db2.gz LYZUEOMGULUNIA-KRWDZBQOSA-N 2 2 354.495 0.014 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000496246078 490108339 /nfs/dbraw/zinc/10/83/39/490108339.db2.gz OUAAPGNWCVLGBI-AWEZNQCLSA-N 2 2 354.838 0.066 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000564311934 491299716 /nfs/dbraw/zinc/29/97/16/491299716.db2.gz QJFBTGNBAHVRSY-IYBDPMFKSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000564311934 491299720 /nfs/dbraw/zinc/29/97/20/491299720.db2.gz QJFBTGNBAHVRSY-IYBDPMFKSA-N 2 2 350.507 0.777 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000520204747 490117358 /nfs/dbraw/zinc/11/73/58/490117358.db2.gz GAXFAYQYKPKMTL-VQFNDLOPSA-N 2 2 360.458 0.749 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C ZINC000479892910 490134863 /nfs/dbraw/zinc/13/48/63/490134863.db2.gz ORPOGOXAZMWQGN-OAHLLOKOSA-N 2 2 370.538 0.696 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C ZINC000479892910 490134869 /nfs/dbraw/zinc/13/48/69/490134869.db2.gz ORPOGOXAZMWQGN-OAHLLOKOSA-N 2 2 370.538 0.696 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000389906238 490135140 /nfs/dbraw/zinc/13/51/40/490135140.db2.gz HCYUDVHIRJREAF-VNQPRFMTSA-N 2 2 353.488 0.385 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000389906238 490135147 /nfs/dbraw/zinc/13/51/47/490135147.db2.gz HCYUDVHIRJREAF-VNQPRFMTSA-N 2 2 353.488 0.385 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000479915110 490136847 /nfs/dbraw/zinc/13/68/47/490136847.db2.gz JTJSCUIGPOENRG-GJZGRUSLSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000479915110 490136853 /nfs/dbraw/zinc/13/68/53/490136853.db2.gz JTJSCUIGPOENRG-GJZGRUSLSA-N 2 2 356.511 0.306 20 0 FCADLP CC[N@H+](C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000520365650 490137569 /nfs/dbraw/zinc/13/75/69/490137569.db2.gz XARQVJVZONIFDD-GOSISDBHSA-N 2 2 362.474 0.244 20 0 FCADLP CC[N@@H+](C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000520365650 490137577 /nfs/dbraw/zinc/13/75/77/490137577.db2.gz XARQVJVZONIFDD-GOSISDBHSA-N 2 2 362.474 0.244 20 0 FCADLP O=S(=O)(c1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000479955340 490141309 /nfs/dbraw/zinc/14/13/09/490141309.db2.gz LDHVVSMSBDURQK-IYBDPMFKSA-N 2 2 351.472 0.359 20 0 FCADLP O=S(=O)(c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000479955340 490141313 /nfs/dbraw/zinc/14/13/13/490141313.db2.gz LDHVVSMSBDURQK-IYBDPMFKSA-N 2 2 351.472 0.359 20 0 FCADLP Cc1[nH]nc2ncc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc12 ZINC000532932933 490143319 /nfs/dbraw/zinc/14/33/19/490143319.db2.gz KBPZEVQCPXWMOD-OAHLLOKOSA-N 2 2 358.446 0.289 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000497338606 490148708 /nfs/dbraw/zinc/14/87/08/490148708.db2.gz RANHWHGRIFZCNC-OAHLLOKOSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000497338606 490148713 /nfs/dbraw/zinc/14/87/13/490148713.db2.gz RANHWHGRIFZCNC-OAHLLOKOSA-N 2 2 368.522 0.545 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000422103929 490157834 /nfs/dbraw/zinc/15/78/34/490157834.db2.gz HVMQCANAMCQYTC-HUUCEWRRSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000422103929 490157840 /nfs/dbraw/zinc/15/78/40/490157840.db2.gz HVMQCANAMCQYTC-HUUCEWRRSA-N 2 2 362.478 0.168 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000466036239 490160010 /nfs/dbraw/zinc/16/00/10/490160010.db2.gz OODPGOYMKCLPJA-JKSUJKDBSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000466036239 490160015 /nfs/dbraw/zinc/16/00/15/490160015.db2.gz OODPGOYMKCLPJA-JKSUJKDBSA-N 2 2 353.511 0.665 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1=CC[NH2+]CC1 ZINC000520579169 490166167 /nfs/dbraw/zinc/16/61/67/490166167.db2.gz AMWUUXHBTBWAEO-UHFFFAOYSA-N 2 2 357.458 0.546 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000446889280 490168686 /nfs/dbraw/zinc/16/86/86/490168686.db2.gz UYDSGMXDWNFMIL-QGZVFWFLSA-N 2 2 354.495 0.195 20 0 FCADLP CCOC(=O)CNC(=O)[C@@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000497556164 490175449 /nfs/dbraw/zinc/17/54/49/490175449.db2.gz IOTZTEXBMNURHO-HNNXBMFYSA-N 2 2 352.435 0.352 20 0 FCADLP CCOC(=O)CNC(=O)[C@@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000497556164 490175453 /nfs/dbraw/zinc/17/54/53/490175453.db2.gz IOTZTEXBMNURHO-HNNXBMFYSA-N 2 2 352.435 0.352 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000571398805 491305263 /nfs/dbraw/zinc/30/52/63/491305263.db2.gz ACWLNEYOZSMFJW-ZIAGYGMSSA-N 2 2 366.487 0.106 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507196680 490187915 /nfs/dbraw/zinc/18/79/15/490187915.db2.gz QSIPLJLHIKGDHC-UHFFFAOYSA-N 2 2 351.370 0.829 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422149075 490190959 /nfs/dbraw/zinc/19/09/59/490190959.db2.gz YILVTLVXOXUSPJ-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422149075 490190963 /nfs/dbraw/zinc/19/09/63/490190963.db2.gz YILVTLVXOXUSPJ-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000422149075 490190973 /nfs/dbraw/zinc/19/09/73/490190973.db2.gz YILVTLVXOXUSPJ-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000422149075 490190977 /nfs/dbraw/zinc/19/09/77/490190977.db2.gz YILVTLVXOXUSPJ-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[NH+](C)CCOC)CC2)CC1 ZINC000422156924 490193824 /nfs/dbraw/zinc/19/38/24/490193824.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 3 2 369.554 0.766 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[NH+](C)CCOC)CC2)CC1 ZINC000422156924 490193830 /nfs/dbraw/zinc/19/38/30/490193830.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 3 2 369.554 0.766 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)NCC[N@H+](C)CCOC)CC2)CC1 ZINC000422156924 490193836 /nfs/dbraw/zinc/19/38/36/490193836.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 3 2 369.554 0.766 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)NCC[N@@H+](C)CCOC)CC2)CC1 ZINC000422156924 490193838 /nfs/dbraw/zinc/19/38/38/490193838.db2.gz NYXPSVXFGNYUCS-UHFFFAOYSA-N 3 2 369.554 0.766 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000480479147 490197565 /nfs/dbraw/zinc/19/75/65/490197565.db2.gz GJRRMUXDOFBDHW-GFCCVEGCSA-N 2 2 354.480 0.625 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000571422772 491307085 /nfs/dbraw/zinc/30/70/85/491307085.db2.gz QFZNAAONURKFFO-ZNMIVQPWSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000571422772 491307087 /nfs/dbraw/zinc/30/70/87/491307087.db2.gz QFZNAAONURKFFO-ZNMIVQPWSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000571422772 491307088 /nfs/dbraw/zinc/30/70/88/491307088.db2.gz QFZNAAONURKFFO-ZNMIVQPWSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000571422772 491307090 /nfs/dbraw/zinc/30/70/90/491307090.db2.gz QFZNAAONURKFFO-ZNMIVQPWSA-N 2 2 366.506 0.343 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000497734313 490207284 /nfs/dbraw/zinc/20/72/84/490207284.db2.gz HILVZYFRTQGDAD-AWEZNQCLSA-N 2 2 367.881 0.171 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1cncc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000521038439 490217276 /nfs/dbraw/zinc/21/72/76/490217276.db2.gz NBGNPQBAQGFIKX-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1cncc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000521038439 490217281 /nfs/dbraw/zinc/21/72/81/490217281.db2.gz NBGNPQBAQGFIKX-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000556310619 491309089 /nfs/dbraw/zinc/30/90/89/491309089.db2.gz XDQDHVFNPWJTLO-HNNXBMFYSA-N 2 2 356.430 0.440 20 0 FCADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC(N)=O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000497900643 490229654 /nfs/dbraw/zinc/22/96/54/490229654.db2.gz FRLXWLPWFNIUHG-CQSZACIVSA-N 2 2 361.446 0.561 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000521267792 490244473 /nfs/dbraw/zinc/24/44/73/490244473.db2.gz ZORVAIFUJIGNHQ-QBIMZIAESA-N 2 2 371.428 0.765 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000521267792 490244482 /nfs/dbraw/zinc/24/44/82/490244482.db2.gz ZORVAIFUJIGNHQ-QBIMZIAESA-N 2 2 371.428 0.765 20 0 FCADLP CN(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000521411035 490258207 /nfs/dbraw/zinc/25/82/07/490258207.db2.gz VSFMDCVDZCBUPH-KRWDZBQOSA-N 2 2 365.522 0.714 20 0 FCADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000482904948 490261782 /nfs/dbraw/zinc/26/17/82/490261782.db2.gz SBKHRDDWSBBMQG-SFHVURJKSA-N 2 2 359.470 0.986 20 0 FCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000482904948 490261788 /nfs/dbraw/zinc/26/17/88/490261788.db2.gz SBKHRDDWSBBMQG-SFHVURJKSA-N 2 2 359.470 0.986 20 0 FCADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000498137873 490263185 /nfs/dbraw/zinc/26/31/85/490263185.db2.gz YLSIXLQPNMSMHP-HUUCEWRRSA-N 2 2 354.401 0.763 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CSCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000533812087 490287267 /nfs/dbraw/zinc/28/72/67/490287267.db2.gz NTZVWIIPHGWQNM-OKILXGFUSA-N 2 2 364.475 0.522 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000498411405 490291458 /nfs/dbraw/zinc/29/14/58/490291458.db2.gz FEEXYDCFHWQFJH-UHFFFAOYSA-N 2 2 358.464 0.025 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000498411405 490291463 /nfs/dbraw/zinc/29/14/63/490291463.db2.gz FEEXYDCFHWQFJH-UHFFFAOYSA-N 2 2 358.464 0.025 20 0 FCADLP CC(C)(CNC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000521695661 490293076 /nfs/dbraw/zinc/29/30/76/490293076.db2.gz BUUNMQLQRFTHQA-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498423159 490293690 /nfs/dbraw/zinc/29/36/90/490293690.db2.gz AKXADQONYPPLOB-AWEZNQCLSA-N 2 2 359.540 0.261 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498423159 490293696 /nfs/dbraw/zinc/29/36/96/490293696.db2.gz AKXADQONYPPLOB-AWEZNQCLSA-N 2 2 359.540 0.261 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000564585239 491315128 /nfs/dbraw/zinc/31/51/28/491315128.db2.gz KQRPRBNZLDYNIU-HOCLYGCPSA-N 2 2 370.519 0.946 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000564585239 491315130 /nfs/dbraw/zinc/31/51/30/491315130.db2.gz KQRPRBNZLDYNIU-HOCLYGCPSA-N 2 2 370.519 0.946 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000521842790 490301964 /nfs/dbraw/zinc/30/19/64/490301964.db2.gz LCZHHIDFFNMQRA-ZFWWWQNUSA-N 2 2 363.437 0.605 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000521842790 490301970 /nfs/dbraw/zinc/30/19/70/490301970.db2.gz LCZHHIDFFNMQRA-ZFWWWQNUSA-N 2 2 363.437 0.605 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000564609770 491316714 /nfs/dbraw/zinc/31/67/14/491316714.db2.gz GPGXLLZDQKMICD-JKSUJKDBSA-N 2 2 373.432 0.872 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH+]1CCN(C(=O)C3CCC3)CC1)C2 ZINC000571574653 491316927 /nfs/dbraw/zinc/31/69/27/491316927.db2.gz XYXSPOHTHFLRQP-KRWDZBQOSA-N 2 2 373.501 0.814 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488668 490322183 /nfs/dbraw/zinc/32/21/83/490322183.db2.gz IHHYOMYOTNGVDZ-IAGOWNOFSA-N 2 2 374.485 0.980 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488668 490322184 /nfs/dbraw/zinc/32/21/84/490322184.db2.gz IHHYOMYOTNGVDZ-IAGOWNOFSA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488668 490322185 /nfs/dbraw/zinc/32/21/85/490322185.db2.gz IHHYOMYOTNGVDZ-IAGOWNOFSA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488668 490322186 /nfs/dbraw/zinc/32/21/86/490322186.db2.gz IHHYOMYOTNGVDZ-IAGOWNOFSA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000467652383 490327145 /nfs/dbraw/zinc/32/71/45/490327145.db2.gz AQKAHBIGFOYGAR-KRWDZBQOSA-N 2 2 367.515 0.939 20 0 FCADLP CC(C)C[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)[NH+]1CCOCC1 ZINC000467690399 490330586 /nfs/dbraw/zinc/33/05/86/490330586.db2.gz DYRYICZVQVTXNW-NPYXIHBLSA-N 2 2 351.491 0.664 20 0 FCADLP CS[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000534216215 490331965 /nfs/dbraw/zinc/33/19/65/490331965.db2.gz IJNVRSRFBGWAGL-CABCVRRESA-N 2 2 358.552 0.191 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)c[nH+]2)CCO1 ZINC000467703616 490332012 /nfs/dbraw/zinc/33/20/12/490332012.db2.gz WPUDGLGSXYOXGW-HZTRTUMWSA-N 2 2 372.469 0.738 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000467708693 490333272 /nfs/dbraw/zinc/33/32/72/490333272.db2.gz JWOMFNJGTNXRTQ-GOSISDBHSA-N 2 2 374.485 0.155 20 0 FCADLP C[C@H]1CC[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470298 490341142 /nfs/dbraw/zinc/34/11/42/490341142.db2.gz AYPPASSMINKPPW-HOCLYGCPSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1CC[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470298 490341148 /nfs/dbraw/zinc/34/11/48/490341148.db2.gz AYPPASSMINKPPW-HOCLYGCPSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508639546 490344112 /nfs/dbraw/zinc/34/41/12/490344112.db2.gz WDFPDSYMRUIFKV-FJIDUMEYSA-N 2 2 354.539 0.872 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508639546 490344114 /nfs/dbraw/zinc/34/41/14/490344114.db2.gz WDFPDSYMRUIFKV-FJIDUMEYSA-N 2 2 354.539 0.872 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422497520 490362314 /nfs/dbraw/zinc/36/23/14/490362314.db2.gz VSGHDRFUIDRSEQ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422497520 490362320 /nfs/dbraw/zinc/36/23/20/490362320.db2.gz VSGHDRFUIDRSEQ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422497520 490362331 /nfs/dbraw/zinc/36/23/31/490362331.db2.gz VSGHDRFUIDRSEQ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422497520 490362339 /nfs/dbraw/zinc/36/23/39/490362339.db2.gz VSGHDRFUIDRSEQ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000498934269 490365392 /nfs/dbraw/zinc/36/53/92/490365392.db2.gz AGWZHRLQTPTPHS-SJORKVTESA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000498934269 490365400 /nfs/dbraw/zinc/36/54/00/490365400.db2.gz AGWZHRLQTPTPHS-SJORKVTESA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000498934269 490365405 /nfs/dbraw/zinc/36/54/05/490365405.db2.gz AGWZHRLQTPTPHS-SJORKVTESA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000498934269 490365413 /nfs/dbraw/zinc/36/54/13/490365413.db2.gz AGWZHRLQTPTPHS-SJORKVTESA-N 2 2 366.506 0.058 20 0 FCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000508868913 490368103 /nfs/dbraw/zinc/36/81/03/490368103.db2.gz WMUUQLWWGUTBFV-ZIAGYGMSSA-N 2 2 358.446 0.957 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000484046421 490375155 /nfs/dbraw/zinc/37/51/55/490375155.db2.gz QGOWYAYJGWXPGS-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000484046421 490375162 /nfs/dbraw/zinc/37/51/62/490375162.db2.gz QGOWYAYJGWXPGS-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCNC1=O ZINC000534662883 490394701 /nfs/dbraw/zinc/39/47/01/490394701.db2.gz GVUXJABQPYXZHC-INIZCTEOSA-N 2 2 362.499 0.994 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCNC1=O ZINC000534662883 490394705 /nfs/dbraw/zinc/39/47/05/490394705.db2.gz GVUXJABQPYXZHC-INIZCTEOSA-N 2 2 362.499 0.994 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000484196917 490395626 /nfs/dbraw/zinc/39/56/26/490395626.db2.gz CKCONRADCCSHNY-CABCVRRESA-N 2 2 362.478 0.043 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484196033 490395864 /nfs/dbraw/zinc/39/58/64/490395864.db2.gz BPCKJFOQVHKBKU-OAGGEKHMSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548362 490403199 /nfs/dbraw/zinc/40/31/99/490403199.db2.gz YZHVXSVTURDPKN-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548362 490403207 /nfs/dbraw/zinc/40/32/07/490403207.db2.gz YZHVXSVTURDPKN-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548362 490403212 /nfs/dbraw/zinc/40/32/12/490403212.db2.gz YZHVXSVTURDPKN-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000422548362 490403219 /nfs/dbraw/zinc/40/32/19/490403219.db2.gz YZHVXSVTURDPKN-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP COC(=O)Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC000449232441 490406252 /nfs/dbraw/zinc/40/62/52/490406252.db2.gz UJPHUVGFKPBWPC-UHFFFAOYSA-N 2 2 365.478 0.776 20 0 FCADLP CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000564741817 491324237 /nfs/dbraw/zinc/32/42/37/491324237.db2.gz VXKLAKFFNSINKK-IAGOWNOFSA-N 2 2 359.474 0.856 20 0 FCADLP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000564741817 491324239 /nfs/dbraw/zinc/32/42/39/491324239.db2.gz VXKLAKFFNSINKK-IAGOWNOFSA-N 2 2 359.474 0.856 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc(C)[nH+]1 ZINC000422587470 490417245 /nfs/dbraw/zinc/41/72/45/490417245.db2.gz HZXFERQVEMTOLA-OAHLLOKOSA-N 2 2 362.474 0.618 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc(C)[nH+]1 ZINC000422587470 490417250 /nfs/dbraw/zinc/41/72/50/490417250.db2.gz HZXFERQVEMTOLA-OAHLLOKOSA-N 2 2 362.474 0.618 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625234 490430623 /nfs/dbraw/zinc/43/06/23/490430623.db2.gz BACIIFFJFSLBDJ-RDBSUJKOSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625234 490430629 /nfs/dbraw/zinc/43/06/29/490430629.db2.gz BACIIFFJFSLBDJ-RDBSUJKOSA-N 2 2 368.503 0.886 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422631165 490435009 /nfs/dbraw/zinc/43/50/09/490435009.db2.gz FCYSPYRGDSHZAF-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422631165 490435016 /nfs/dbraw/zinc/43/50/16/490435016.db2.gz FCYSPYRGDSHZAF-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000422640283 490438058 /nfs/dbraw/zinc/43/80/58/490438058.db2.gz VJWWDYMIMZNGKA-IHRRRGAJSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000422640283 490438061 /nfs/dbraw/zinc/43/80/61/490438061.db2.gz VJWWDYMIMZNGKA-IHRRRGAJSA-N 2 2 368.503 0.886 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)ccn2)CC1 ZINC000499682343 490445714 /nfs/dbraw/zinc/44/57/14/490445714.db2.gz LGKAKYDGBNLBQS-UHFFFAOYSA-N 2 2 369.473 0.515 20 0 FCADLP C[C@H]1COCCN1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000499688337 490447019 /nfs/dbraw/zinc/44/70/19/490447019.db2.gz AOXGXUYPNYDQQG-ULQDDVLXSA-N 2 2 353.486 0.985 20 0 FCADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000499688337 490447024 /nfs/dbraw/zinc/44/70/24/490447024.db2.gz AOXGXUYPNYDQQG-ULQDDVLXSA-N 2 2 353.486 0.985 20 0 FCADLP CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000535092567 490456630 /nfs/dbraw/zinc/45/66/30/490456630.db2.gz YRXONBUDHIXLEP-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000535092567 490456635 /nfs/dbraw/zinc/45/66/35/490456635.db2.gz YRXONBUDHIXLEP-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1OC ZINC000484739635 490462173 /nfs/dbraw/zinc/46/21/73/490462173.db2.gz UYZOBIXDOAWREW-BBWFWOEESA-N 2 2 356.511 0.846 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1OC ZINC000484739635 490462177 /nfs/dbraw/zinc/46/21/77/490462177.db2.gz UYZOBIXDOAWREW-BBWFWOEESA-N 2 2 356.511 0.846 20 0 FCADLP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000422753947 490471707 /nfs/dbraw/zinc/47/17/07/490471707.db2.gz FMKUWVDUMRDAHN-OAHLLOKOSA-N 3 2 354.520 0.840 20 0 FCADLP C[C@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@@H+]1CC(C)(C)O ZINC000548383922 490477443 /nfs/dbraw/zinc/47/74/43/490477443.db2.gz WFYVWSCMHAGYBW-ZDUSSCGKSA-N 2 2 374.489 0.952 20 0 FCADLP C[C@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@H+]1CC(C)(C)O ZINC000548383922 490477448 /nfs/dbraw/zinc/47/74/48/490477448.db2.gz WFYVWSCMHAGYBW-ZDUSSCGKSA-N 2 2 374.489 0.952 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000500025713 490478932 /nfs/dbraw/zinc/47/89/32/490478932.db2.gz DJDAAHOVEQVFAY-HNNXBMFYSA-N 2 2 366.487 0.145 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843318 490485271 /nfs/dbraw/zinc/48/52/71/490485271.db2.gz HVIUIAJPOVOKAB-ROUUACIJSA-N 3 2 361.490 0.477 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)[C@@H]2CCCOC2)CC1 ZINC000510111279 490492279 /nfs/dbraw/zinc/49/22/79/490492279.db2.gz BYSNQLYCSVGUJG-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC000510111279 490492283 /nfs/dbraw/zinc/49/22/83/490492283.db2.gz BYSNQLYCSVGUJG-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000535470908 490493071 /nfs/dbraw/zinc/49/30/71/490493071.db2.gz YYYBWQXMOYHDKB-BEFAXECRSA-N 2 2 369.506 0.925 20 0 FCADLP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856166 491331832 /nfs/dbraw/zinc/33/18/32/491331832.db2.gz VZHFUDKWIZBNJJ-HCXYKTFWSA-N 3 2 356.555 0.318 20 0 FCADLP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856166 491331833 /nfs/dbraw/zinc/33/18/33/491331833.db2.gz VZHFUDKWIZBNJJ-HCXYKTFWSA-N 3 2 356.555 0.318 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422980861 490509964 /nfs/dbraw/zinc/50/99/64/490509964.db2.gz MPARLLKTJNKKGN-UHFFFAOYSA-N 2 2 353.426 0.843 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985299 490511751 /nfs/dbraw/zinc/51/17/51/490511751.db2.gz DANHINDXLJBWQU-BBWFWOEESA-N 3 2 360.506 0.999 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000500430007 490515011 /nfs/dbraw/zinc/51/50/11/490515011.db2.gz FOICMOVCUQQBIO-CQSZACIVSA-N 2 2 362.478 0.215 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CC2)C1=O ZINC000564878428 491333023 /nfs/dbraw/zinc/33/30/23/491333023.db2.gz ZZZYJCOBXXYNBK-KRWDZBQOSA-N 2 2 368.441 0.692 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000485264848 490521061 /nfs/dbraw/zinc/52/10/61/490521061.db2.gz RWZCYWYQJORXNY-YKCBXCCJSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000485264848 490521068 /nfs/dbraw/zinc/52/10/68/490521068.db2.gz RWZCYWYQJORXNY-YKCBXCCJSA-N 2 2 364.486 0.850 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000423021984 490523180 /nfs/dbraw/zinc/52/31/80/490523180.db2.gz DHLPRUHKBAXBLT-SFHVURJKSA-N 2 2 358.486 0.960 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000423021984 490523187 /nfs/dbraw/zinc/52/31/87/490523187.db2.gz DHLPRUHKBAXBLT-SFHVURJKSA-N 2 2 358.486 0.960 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000423030342 490523994 /nfs/dbraw/zinc/52/39/94/490523994.db2.gz BKCLCCYVDSNRSX-UHFFFAOYSA-N 2 2 374.485 0.679 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423031114 490524479 /nfs/dbraw/zinc/52/44/79/490524479.db2.gz WQADGJSCHZJQLW-HXUWFJFHSA-N 2 2 374.485 0.407 20 0 FCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)C ZINC000524213075 490524875 /nfs/dbraw/zinc/52/48/75/490524875.db2.gz YNEBBMNHRKADHR-UHFFFAOYSA-N 2 2 363.510 0.628 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC2)cc1 ZINC000423031787 490524853 /nfs/dbraw/zinc/52/48/53/490524853.db2.gz DQCQHPGFUDSABX-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)C ZINC000524213075 490524880 /nfs/dbraw/zinc/52/48/80/490524880.db2.gz YNEBBMNHRKADHR-UHFFFAOYSA-N 2 2 363.510 0.628 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423044161 490528706 /nfs/dbraw/zinc/52/87/06/490528706.db2.gz AZLXLIJRRSSOTL-KRWDZBQOSA-N 2 2 362.449 0.810 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423044161 490528710 /nfs/dbraw/zinc/52/87/10/490528710.db2.gz AZLXLIJRRSSOTL-KRWDZBQOSA-N 2 2 362.449 0.810 20 0 FCADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889553 491333773 /nfs/dbraw/zinc/33/37/73/491333773.db2.gz BAHSAPCBWWWCJA-GJZGRUSLSA-N 2 2 352.504 0.531 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000564890084 491334162 /nfs/dbraw/zinc/33/41/62/491334162.db2.gz ZIURBXAUVOYIRD-QGZVFWFLSA-N 2 2 372.473 0.648 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000564890084 491334163 /nfs/dbraw/zinc/33/41/63/491334163.db2.gz ZIURBXAUVOYIRD-QGZVFWFLSA-N 2 2 372.473 0.648 20 0 FCADLP CN1CC[NH+]([C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889554 491334168 /nfs/dbraw/zinc/33/41/68/491334168.db2.gz BAHSAPCBWWWCJA-HUUCEWRRSA-N 2 2 352.504 0.531 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000524433687 490538196 /nfs/dbraw/zinc/53/81/96/490538196.db2.gz JBTHDUIWZZAMPD-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000524433687 490538201 /nfs/dbraw/zinc/53/82/01/490538201.db2.gz JBTHDUIWZZAMPD-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)CC1 ZINC000564909038 491335397 /nfs/dbraw/zinc/33/53/97/491335397.db2.gz ZIVFOJSNXOCMNX-UHFFFAOYSA-N 2 2 355.508 0.601 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)CC1 ZINC000564909038 491335398 /nfs/dbraw/zinc/33/53/98/491335398.db2.gz ZIVFOJSNXOCMNX-UHFFFAOYSA-N 2 2 355.508 0.601 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063756 490559116 /nfs/dbraw/zinc/55/91/16/490559116.db2.gz IKUZTUJXWMKCTE-JKSUJKDBSA-N 2 2 374.551 0.142 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063756 490559121 /nfs/dbraw/zinc/55/91/21/490559121.db2.gz IKUZTUJXWMKCTE-JKSUJKDBSA-N 2 2 374.551 0.142 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854845 490564469 /nfs/dbraw/zinc/56/44/69/490564469.db2.gz NCOZKXRBZTXAMZ-YJBOKZPZSA-N 2 2 374.485 0.885 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854845 490564473 /nfs/dbraw/zinc/56/44/73/490564473.db2.gz NCOZKXRBZTXAMZ-YJBOKZPZSA-N 2 2 374.485 0.885 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000571901885 491336415 /nfs/dbraw/zinc/33/64/15/491336415.db2.gz JLWSQKJQEVFFFQ-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000571922645 491337878 /nfs/dbraw/zinc/33/78/78/491337878.db2.gz IXBOXLFIRMBOGI-SFHVURJKSA-N 2 2 366.469 0.974 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114319 490591586 /nfs/dbraw/zinc/59/15/86/490591586.db2.gz ALNKOPMDQBNQSA-BBRMVZONSA-N 2 2 359.474 0.597 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114319 490591587 /nfs/dbraw/zinc/59/15/87/490591587.db2.gz ALNKOPMDQBNQSA-BBRMVZONSA-N 2 2 359.474 0.597 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511580304 490604052 /nfs/dbraw/zinc/60/40/52/490604052.db2.gz WVDOYRLLFGMHMJ-FUHWJXTLSA-N 2 2 358.486 0.787 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511580304 490604055 /nfs/dbraw/zinc/60/40/55/490604055.db2.gz WVDOYRLLFGMHMJ-FUHWJXTLSA-N 2 2 358.486 0.787 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000549877131 490613041 /nfs/dbraw/zinc/61/30/41/490613041.db2.gz DPBRKGNVNCTFIL-UHFFFAOYSA-N 2 2 366.506 0.302 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCCc2ccccc21 ZINC000486437773 490624643 /nfs/dbraw/zinc/62/46/43/490624643.db2.gz OXGCEMLPFLUQFZ-QGZVFWFLSA-N 2 2 356.470 0.862 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCCc2ccccc21 ZINC000486437773 490624646 /nfs/dbraw/zinc/62/46/46/490624646.db2.gz OXGCEMLPFLUQFZ-QGZVFWFLSA-N 2 2 356.470 0.862 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550108175 490626132 /nfs/dbraw/zinc/62/61/32/490626132.db2.gz IRKCTVHHGSKICB-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486440917 490626534 /nfs/dbraw/zinc/62/65/34/490626534.db2.gz DAKDJTBVLWPCMX-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486440917 490626539 /nfs/dbraw/zinc/62/65/39/490626539.db2.gz DAKDJTBVLWPCMX-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448246 490628160 /nfs/dbraw/zinc/62/81/60/490628160.db2.gz QVPGOGHTSIVSFF-UONOGXRCSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448246 490628169 /nfs/dbraw/zinc/62/81/69/490628169.db2.gz QVPGOGHTSIVSFF-UONOGXRCSA-N 2 2 350.488 0.649 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486449350 490628717 /nfs/dbraw/zinc/62/87/17/490628717.db2.gz SXRXTKPIBHTVKE-GJZGRUSLSA-N 2 2 362.478 0.260 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486449350 490628722 /nfs/dbraw/zinc/62/87/22/490628722.db2.gz SXRXTKPIBHTVKE-GJZGRUSLSA-N 2 2 362.478 0.260 20 0 FCADLP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486457326 490630355 /nfs/dbraw/zinc/63/03/55/490630355.db2.gz HTDITYYAKIWEGU-QGZVFWFLSA-N 2 2 362.449 0.680 20 0 FCADLP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486457326 490630359 /nfs/dbraw/zinc/63/03/59/490630359.db2.gz HTDITYYAKIWEGU-QGZVFWFLSA-N 2 2 362.449 0.680 20 0 FCADLP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486457672 490630408 /nfs/dbraw/zinc/63/04/08/490630408.db2.gz IGTIFVAEMZBESY-GOSISDBHSA-N 2 2 358.486 0.550 20 0 FCADLP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486457672 490630411 /nfs/dbraw/zinc/63/04/11/490630411.db2.gz IGTIFVAEMZBESY-GOSISDBHSA-N 2 2 358.486 0.550 20 0 FCADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000511856603 490631754 /nfs/dbraw/zinc/63/17/54/490631754.db2.gz YOUPTTQTDMRGAG-UHFFFAOYSA-N 3 2 373.545 0.510 20 0 FCADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000511856603 490631760 /nfs/dbraw/zinc/63/17/60/490631760.db2.gz YOUPTTQTDMRGAG-UHFFFAOYSA-N 3 2 373.545 0.510 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486461468 490632155 /nfs/dbraw/zinc/63/21/55/490632155.db2.gz ZZGSXQOHXYXNEK-DOTOQJQBSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486461468 490632159 /nfs/dbraw/zinc/63/21/59/490632159.db2.gz ZZGSXQOHXYXNEK-DOTOQJQBSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460032 490633103 /nfs/dbraw/zinc/63/31/03/490633103.db2.gz AGQMVRCUGIBQKY-YOEHRIQHSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460032 490633107 /nfs/dbraw/zinc/63/31/07/490633107.db2.gz AGQMVRCUGIBQKY-YOEHRIQHSA-N 2 2 362.449 0.727 20 0 FCADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459303 490633368 /nfs/dbraw/zinc/63/33/68/490633368.db2.gz KSJSXMUGAHMBAY-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459303 490633374 /nfs/dbraw/zinc/63/33/74/490633374.db2.gz KSJSXMUGAHMBAY-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460853 490633445 /nfs/dbraw/zinc/63/34/45/490633445.db2.gz BGSRMDCZRDMNIZ-JKSUJKDBSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460853 490633449 /nfs/dbraw/zinc/63/34/49/490633449.db2.gz BGSRMDCZRDMNIZ-JKSUJKDBSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486466100 490635234 /nfs/dbraw/zinc/63/52/34/490635234.db2.gz HQKMTXNVIDDGPB-CZUORRHYSA-N 2 2 373.457 0.009 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486466100 490635241 /nfs/dbraw/zinc/63/52/41/490635241.db2.gz HQKMTXNVIDDGPB-CZUORRHYSA-N 2 2 373.457 0.009 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1cc(F)cc(F)c1 ZINC000486466165 490635297 /nfs/dbraw/zinc/63/52/97/490635297.db2.gz IJDWCJOLHUONHO-INIZCTEOSA-N 2 2 366.412 0.477 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1cc(F)cc(F)c1 ZINC000486466165 490635302 /nfs/dbraw/zinc/63/53/02/490635302.db2.gz IJDWCJOLHUONHO-INIZCTEOSA-N 2 2 366.412 0.477 20 0 FCADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996060 491341663 /nfs/dbraw/zinc/34/16/63/491341663.db2.gz KVAMRTNQYQLRKE-GJZGRUSLSA-N 2 2 352.504 0.531 20 0 FCADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486465055 490635556 /nfs/dbraw/zinc/63/55/56/490635556.db2.gz WIVSYNJKBOXZHN-QGZVFWFLSA-N 2 2 374.485 0.250 20 0 FCADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486465055 490635563 /nfs/dbraw/zinc/63/55/63/490635563.db2.gz WIVSYNJKBOXZHN-QGZVFWFLSA-N 2 2 374.485 0.250 20 0 FCADLP CN(Cc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486467491 490635815 /nfs/dbraw/zinc/63/58/15/490635815.db2.gz ZIFMZSSPNZZTBV-CQSZACIVSA-N 2 2 350.488 0.603 20 0 FCADLP CN(Cc1cccs1)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486467491 490635821 /nfs/dbraw/zinc/63/58/21/490635821.db2.gz ZIFMZSSPNZZTBV-CQSZACIVSA-N 2 2 350.488 0.603 20 0 FCADLP [NH3+]CCCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000571997605 491341957 /nfs/dbraw/zinc/34/19/57/491341957.db2.gz VFFQHNAMCQUSLV-HNNXBMFYSA-N 2 2 362.478 0.527 20 0 FCADLP [NH3+]CCCCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000571997605 491341958 /nfs/dbraw/zinc/34/19/58/491341958.db2.gz VFFQHNAMCQUSLV-HNNXBMFYSA-N 2 2 362.478 0.527 20 0 FCADLP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000511981315 490647326 /nfs/dbraw/zinc/64/73/26/490647326.db2.gz HUXABIRGNDAIQE-AQFXKWCLSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)s1 ZINC000512027867 490652965 /nfs/dbraw/zinc/65/29/65/490652965.db2.gz YAGJVPJQDOGQMQ-CQSZACIVSA-N 2 2 367.519 0.227 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)s1 ZINC000512027866 490653624 /nfs/dbraw/zinc/65/36/24/490653624.db2.gz YAGJVPJQDOGQMQ-AWEZNQCLSA-N 2 2 367.519 0.227 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1C ZINC000550294368 490656028 /nfs/dbraw/zinc/65/60/28/490656028.db2.gz FZARPQXQZFFUPG-LSDHHAIUSA-N 2 2 357.458 0.934 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1C ZINC000550294368 490656034 /nfs/dbraw/zinc/65/60/34/490656034.db2.gz FZARPQXQZFFUPG-LSDHHAIUSA-N 2 2 357.458 0.934 20 0 FCADLP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000550304097 490657999 /nfs/dbraw/zinc/65/79/99/490657999.db2.gz RVCMPRFBVVHVHU-UHFFFAOYSA-N 2 2 357.458 0.810 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564984940 491343252 /nfs/dbraw/zinc/34/32/52/491343252.db2.gz LGEQPFGAXDADJT-IAGOWNOFSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564984940 491343254 /nfs/dbraw/zinc/34/32/54/491343254.db2.gz LGEQPFGAXDADJT-IAGOWNOFSA-N 2 2 350.507 0.633 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359968 490664620 /nfs/dbraw/zinc/66/46/20/490664620.db2.gz OYACDYBGKVJUNT-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359968 490664626 /nfs/dbraw/zinc/66/46/26/490664626.db2.gz OYACDYBGKVJUNT-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP Cn1cc[nH+]c1CN1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000512282582 490670639 /nfs/dbraw/zinc/67/06/39/490670639.db2.gz WJWWYTNATXYTLY-UHFFFAOYSA-N 2 2 372.473 0.714 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OCCO ZINC000537325453 490672002 /nfs/dbraw/zinc/67/20/02/490672002.db2.gz JODMNKWNXLACFM-UHFFFAOYSA-N 2 2 365.474 0.822 20 0 FCADLP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000556952701 491344780 /nfs/dbraw/zinc/34/47/80/491344780.db2.gz LEDRHJSTZBXVDV-IRXDYDNUSA-N 2 2 360.458 0.843 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550495738 490674388 /nfs/dbraw/zinc/67/43/88/490674388.db2.gz ZGPFMBDJTCUJKE-MRXNPFEDSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000486887889 490678394 /nfs/dbraw/zinc/67/83/94/490678394.db2.gz PGXMVDUUOPSEEZ-AWEZNQCLSA-N 2 2 355.527 0.957 20 0 FCADLP NC(=O)CCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000502534381 490708538 /nfs/dbraw/zinc/70/85/38/490708538.db2.gz MXWOBMXFXCUENO-UHFFFAOYSA-N 2 2 362.474 0.901 20 0 FCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC000502554859 490709298 /nfs/dbraw/zinc/70/92/98/490709298.db2.gz TVOBTEBZVHPNHU-JCGIZDLHSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC000502554859 490709301 /nfs/dbraw/zinc/70/93/01/490709301.db2.gz TVOBTEBZVHPNHU-JCGIZDLHSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C1CC1 ZINC000502554859 490709305 /nfs/dbraw/zinc/70/93/05/490709305.db2.gz TVOBTEBZVHPNHU-JCGIZDLHSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C1CC1 ZINC000502554859 490709309 /nfs/dbraw/zinc/70/93/09/490709309.db2.gz TVOBTEBZVHPNHU-JCGIZDLHSA-N 2 2 361.490 0.782 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000502555604 490709524 /nfs/dbraw/zinc/70/95/24/490709524.db2.gz AGHHPYLNVBDUTK-QGZVFWFLSA-N 2 2 371.503 0.064 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502570784 490710714 /nfs/dbraw/zinc/71/07/14/490710714.db2.gz ICXBQQHTJYABKD-HOTGVXAUSA-N 2 2 365.522 0.983 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502570784 490710717 /nfs/dbraw/zinc/71/07/17/490710717.db2.gz ICXBQQHTJYABKD-HOTGVXAUSA-N 2 2 365.522 0.983 20 0 FCADLP CCn1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1C ZINC000538135264 490715173 /nfs/dbraw/zinc/71/51/73/490715173.db2.gz RPBWLKAHZTUTPO-UHFFFAOYSA-N 2 2 357.524 0.858 20 0 FCADLP CCn1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1C ZINC000538135264 490715174 /nfs/dbraw/zinc/71/51/74/490715174.db2.gz RPBWLKAHZTUTPO-UHFFFAOYSA-N 2 2 357.524 0.858 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486992 490715767 /nfs/dbraw/zinc/71/57/67/490715767.db2.gz HEZQGADZQKXPCV-PMPSAXMXSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486992 490715773 /nfs/dbraw/zinc/71/57/73/490715773.db2.gz HEZQGADZQKXPCV-PMPSAXMXSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486992 490715778 /nfs/dbraw/zinc/71/57/78/490715778.db2.gz HEZQGADZQKXPCV-PMPSAXMXSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486992 490715784 /nfs/dbraw/zinc/71/57/84/490715784.db2.gz HEZQGADZQKXPCV-PMPSAXMXSA-N 2 2 369.506 0.685 20 0 FCADLP O=S1(=O)CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000538218283 490720173 /nfs/dbraw/zinc/72/01/73/490720173.db2.gz SUCYJWKXIVODQL-MRXNPFEDSA-N 2 2 367.519 0.546 20 0 FCADLP CCS(=O)(=O)C[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000502810060 490722495 /nfs/dbraw/zinc/72/24/95/490722495.db2.gz DZQFWKXHQSLLPI-CQSZACIVSA-N 2 2 374.551 0.667 20 0 FCADLP Cc1cc(C[NH+]2CCN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000513485254 490733940 /nfs/dbraw/zinc/73/39/40/490733940.db2.gz OZYMYTSHEJZRHN-IXDOHACOSA-N 2 2 352.479 0.571 20 0 FCADLP Cc1cc(C[NH+]2CCN(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000513485254 490733945 /nfs/dbraw/zinc/73/39/45/490733945.db2.gz OZYMYTSHEJZRHN-IXDOHACOSA-N 2 2 352.479 0.571 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144615 491351819 /nfs/dbraw/zinc/35/18/19/491351819.db2.gz JBILRECPJVWWRJ-ZYSHUDEJSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000572144615 491351820 /nfs/dbraw/zinc/35/18/20/491351820.db2.gz JBILRECPJVWWRJ-ZYSHUDEJSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000572144615 491351822 /nfs/dbraw/zinc/35/18/22/491351822.db2.gz JBILRECPJVWWRJ-ZYSHUDEJSA-N 2 2 358.486 0.976 20 0 FCADLP CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572144615 491351823 /nfs/dbraw/zinc/35/18/23/491351823.db2.gz JBILRECPJVWWRJ-ZYSHUDEJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000539145556 490765134 /nfs/dbraw/zinc/76/51/34/490765134.db2.gz ILTVJDXQNKJRAN-GASCZTMLSA-N 2 2 368.478 0.128 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@H](C)O1 ZINC000539145556 490765136 /nfs/dbraw/zinc/76/51/36/490765136.db2.gz ILTVJDXQNKJRAN-GASCZTMLSA-N 2 2 368.478 0.128 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)NCC[NH+]2CCC2)c1)[NH+]1CCOCC1 ZINC000503610411 490766828 /nfs/dbraw/zinc/76/68/28/490766828.db2.gz AOKNBYSRAVCWQQ-OAHLLOKOSA-N 2 2 360.458 0.840 20 0 FCADLP CC[C@H](c1nnc(SCCC(N)=O)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000514487027 490769696 /nfs/dbraw/zinc/76/96/96/490769696.db2.gz ITCKDANHBGZUNV-CYBMUJFWSA-N 2 2 370.523 0.591 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000539228971 490771929 /nfs/dbraw/zinc/77/19/29/490771929.db2.gz LGPPBFCVOTVMAB-HOTGVXAUSA-N 2 2 370.494 0.234 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000539228971 490771932 /nfs/dbraw/zinc/77/19/32/490771932.db2.gz LGPPBFCVOTVMAB-HOTGVXAUSA-N 2 2 370.494 0.234 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000539377894 490780930 /nfs/dbraw/zinc/78/09/30/490780930.db2.gz RVKFBHWROUHRSV-ZDUSSCGKSA-N 2 2 358.402 0.372 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000539377894 490780931 /nfs/dbraw/zinc/78/09/31/490780931.db2.gz RVKFBHWROUHRSV-ZDUSSCGKSA-N 2 2 358.402 0.372 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cccc(F)c1 ZINC000557135679 491355920 /nfs/dbraw/zinc/35/59/20/491355920.db2.gz KICXKFAMRCYWKX-HZPDHXFCSA-N 2 2 360.437 0.851 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000557151608 491356982 /nfs/dbraw/zinc/35/69/82/491356982.db2.gz UZZYOMSYHJVFMR-QGZVFWFLSA-N 3 2 363.506 0.454 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000557151608 491356983 /nfs/dbraw/zinc/35/69/83/491356983.db2.gz UZZYOMSYHJVFMR-QGZVFWFLSA-N 3 2 363.506 0.454 20 0 FCADLP C[C@@H]1CCC[C@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000540009393 490804862 /nfs/dbraw/zinc/80/48/62/490804862.db2.gz KFUOBULMNOOBCP-SJORKVTESA-N 2 2 358.552 0.923 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000540174359 490809465 /nfs/dbraw/zinc/80/94/65/490809465.db2.gz JUWBXPOARMFGDU-GFCCVEGCSA-N 2 2 354.476 0.606 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000557167264 491357478 /nfs/dbraw/zinc/35/74/78/491357478.db2.gz QNGXVVIVCKSMDT-INIZCTEOSA-N 2 2 365.453 0.447 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000557167264 491357479 /nfs/dbraw/zinc/35/74/79/491357479.db2.gz QNGXVVIVCKSMDT-INIZCTEOSA-N 2 2 365.453 0.447 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000572264705 491359004 /nfs/dbraw/zinc/35/90/04/491359004.db2.gz JIOAVFNJWXJKNA-HNNXBMFYSA-N 2 2 355.442 0.836 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000515350964 490821058 /nfs/dbraw/zinc/82/10/58/490821058.db2.gz NPTOLEKEPWKAAL-WCQYABFASA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000515350964 490821060 /nfs/dbraw/zinc/82/10/60/490821060.db2.gz NPTOLEKEPWKAAL-WCQYABFASA-N 2 2 352.385 0.419 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000565178569 491358012 /nfs/dbraw/zinc/35/80/12/491358012.db2.gz JHEFRVLTIZTTFU-ULQDDVLXSA-N 2 2 368.522 0.306 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C(=O)NC[C@@H]3CCS(=O)(=O)C3)n2c1 ZINC000540601794 490830033 /nfs/dbraw/zinc/83/00/33/490830033.db2.gz FMHRGKBQWKCSNL-KBPBESRZSA-N 2 2 364.471 0.672 20 0 FCADLP COCC[C@@]1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000515631768 490833464 /nfs/dbraw/zinc/83/34/64/490833464.db2.gz TUXKZXNXQOTHDK-LJQANCHMSA-N 2 2 362.474 0.906 20 0 FCADLP COC(=O)c1cn(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000515834124 490839942 /nfs/dbraw/zinc/83/99/42/490839942.db2.gz RJQZVBNTEIUCKZ-CQSZACIVSA-N 2 2 372.429 0.682 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000516065908 490849034 /nfs/dbraw/zinc/84/90/34/490849034.db2.gz XSHAVQYHDLTAQO-ZDUSSCGKSA-N 2 2 365.478 0.171 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c(=O)n(C)c1=O ZINC000516065908 490849037 /nfs/dbraw/zinc/84/90/37/490849037.db2.gz XSHAVQYHDLTAQO-ZDUSSCGKSA-N 2 2 365.478 0.171 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000529309414 490849520 /nfs/dbraw/zinc/84/95/20/490849520.db2.gz VZGGUVYSAXEFTE-JZXOWHBKSA-N 2 2 368.522 0.896 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000557249674 491362460 /nfs/dbraw/zinc/36/24/60/491362460.db2.gz QHDLEEZPYKNSHY-JKSUJKDBSA-N 2 2 363.462 0.067 20 0 FCADLP CN1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000516554130 490867772 /nfs/dbraw/zinc/86/77/72/490867772.db2.gz VPPJNJCMOCKGAQ-GOSISDBHSA-N 2 2 361.490 0.303 20 0 FCADLP CCN1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000516555101 490868125 /nfs/dbraw/zinc/86/81/25/490868125.db2.gz SMMNQBDOLAWOBF-OAHLLOKOSA-N 2 2 364.494 0.814 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529753408 490873305 /nfs/dbraw/zinc/87/33/05/490873305.db2.gz RMSVSOTWWSMCNT-LIRRHRJNSA-N 2 2 362.474 0.555 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529753408 490873307 /nfs/dbraw/zinc/87/33/07/490873307.db2.gz RMSVSOTWWSMCNT-LIRRHRJNSA-N 2 2 362.474 0.555 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529753406 490873362 /nfs/dbraw/zinc/87/33/62/490873362.db2.gz RMSVSOTWWSMCNT-IFXJQAMLSA-N 2 2 362.474 0.555 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529753406 490873363 /nfs/dbraw/zinc/87/33/63/490873363.db2.gz RMSVSOTWWSMCNT-IFXJQAMLSA-N 2 2 362.474 0.555 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCOCC2)c1 ZINC000516747870 490876516 /nfs/dbraw/zinc/87/65/16/490876516.db2.gz YOQFIONRSVUONK-ZWKOTPCHSA-N 2 2 362.474 0.656 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000541894066 490876613 /nfs/dbraw/zinc/87/66/13/490876613.db2.gz QDNORZRIMSUADK-INIZCTEOSA-N 2 2 365.522 0.832 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000541894066 490876615 /nfs/dbraw/zinc/87/66/15/490876615.db2.gz QDNORZRIMSUADK-INIZCTEOSA-N 2 2 365.522 0.832 20 0 FCADLP CC1([NH+]2CCOCC2)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000529910713 490881334 /nfs/dbraw/zinc/88/13/34/490881334.db2.gz INLOBLARPWKLDX-UHFFFAOYSA-N 2 2 351.491 0.955 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)CC1 ZINC000542023374 490882387 /nfs/dbraw/zinc/88/23/87/490882387.db2.gz BBDTYARJQPYUCQ-GOSISDBHSA-N 2 2 364.534 0.868 20 0 FCADLP COCCn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000542082203 490884720 /nfs/dbraw/zinc/88/47/20/490884720.db2.gz FUVYELWSLDYPSH-UHFFFAOYSA-N 2 2 351.495 0.936 20 0 FCADLP COCCn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000542082203 490884722 /nfs/dbraw/zinc/88/47/22/490884722.db2.gz FUVYELWSLDYPSH-UHFFFAOYSA-N 2 2 351.495 0.936 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000542170195 490887749 /nfs/dbraw/zinc/88/77/49/490887749.db2.gz IJKIXZXQJNNOAP-SFHVURJKSA-N 2 2 360.502 0.893 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975175 490888795 /nfs/dbraw/zinc/88/87/95/490888795.db2.gz PTHFSCQBTOZWKE-GOEBONIOSA-N 2 2 359.467 0.539 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975175 490888797 /nfs/dbraw/zinc/88/87/97/490888797.db2.gz PTHFSCQBTOZWKE-GOEBONIOSA-N 2 2 359.467 0.539 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000516986384 490889362 /nfs/dbraw/zinc/88/93/62/490889362.db2.gz HFCZVWKMAZIWRE-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000516986384 490889363 /nfs/dbraw/zinc/88/93/63/490889363.db2.gz HFCZVWKMAZIWRE-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCS(=O)(=O)[C@H]3C)CC2)CC1 ZINC000565202506 491360107 /nfs/dbraw/zinc/36/01/07/491360107.db2.gz BKPPMFKQDYUXJV-YOEHRIQHSA-N 2 2 371.547 0.875 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000530281918 490897679 /nfs/dbraw/zinc/89/76/79/490897679.db2.gz KSXYCALNJBVADJ-UHFFFAOYSA-N 2 2 371.489 0.861 20 0 FCADLP C[C@H](C(=O)NC1(CNC(=O)[C@H](C)[NH+]2CC(C)C2)CCC1)[NH+]1CC(C)C1 ZINC000517390402 490907034 /nfs/dbraw/zinc/90/70/34/490907034.db2.gz BCOLEJWJLJPROE-JKSUJKDBSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881156 490923350 /nfs/dbraw/zinc/92/33/50/490923350.db2.gz ZOGKEQMHNJSBAF-IEBWSBKVSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881156 490923351 /nfs/dbraw/zinc/92/33/51/490923351.db2.gz ZOGKEQMHNJSBAF-IEBWSBKVSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000572354948 491364675 /nfs/dbraw/zinc/36/46/75/491364675.db2.gz WMPODUMQCXIMOY-NXHRZFHOSA-N 2 2 356.470 0.397 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000572354948 491364676 /nfs/dbraw/zinc/36/46/76/491364676.db2.gz WMPODUMQCXIMOY-NXHRZFHOSA-N 2 2 356.470 0.397 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)c2cccs2)CC1 ZINC000530817775 490926376 /nfs/dbraw/zinc/92/63/76/490926376.db2.gz XXUNDLZSTIARGX-LSDHHAIUSA-N 2 2 352.504 0.483 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)c2cccs2)CC1 ZINC000530817775 490926378 /nfs/dbraw/zinc/92/63/78/490926378.db2.gz XXUNDLZSTIARGX-LSDHHAIUSA-N 2 2 352.504 0.483 20 0 FCADLP CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000530893412 490930686 /nfs/dbraw/zinc/93/06/86/490930686.db2.gz BPVWQNKXFHMOFB-UHFFFAOYSA-N 2 2 371.507 0.021 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000543448698 490933165 /nfs/dbraw/zinc/93/31/65/490933165.db2.gz QKYWPSHKQRDSOZ-UHFFFAOYSA-N 2 2 352.483 0.169 20 0 FCADLP CCOc1ccnc(N2CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)CC2)n1 ZINC000518214062 490933194 /nfs/dbraw/zinc/93/31/94/490933194.db2.gz YMVJFWYASAXSGP-MRXNPFEDSA-N 2 2 367.494 0.327 20 0 FCADLP CCOc1ccnc(N2CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC2)n1 ZINC000518214062 490933198 /nfs/dbraw/zinc/93/31/98/490933198.db2.gz YMVJFWYASAXSGP-MRXNPFEDSA-N 2 2 367.494 0.327 20 0 FCADLP CCOc1ccnc(N2CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000518214062 490933200 /nfs/dbraw/zinc/93/32/00/490933200.db2.gz YMVJFWYASAXSGP-MRXNPFEDSA-N 2 2 367.494 0.327 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3c[nH+]c(N(C)C)n3C)C2)CC1 ZINC000530962340 490933368 /nfs/dbraw/zinc/93/33/68/490933368.db2.gz PAXOWFAYOAOYSO-HNNXBMFYSA-N 2 2 363.510 0.408 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543616434 490939144 /nfs/dbraw/zinc/93/91/44/490939144.db2.gz JWWZJQXWBBGRQD-UHFFFAOYSA-N 2 2 371.445 0.796 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000518411945 490940179 /nfs/dbraw/zinc/94/01/79/490940179.db2.gz CEGZQODPWBIWBE-KRWDZBQOSA-N 2 2 372.535 0.168 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000572367581 491365829 /nfs/dbraw/zinc/36/58/29/491365829.db2.gz AHTBDVGUMBCVGP-IIDMSEBBSA-N 2 2 367.538 0.021 20 0 FCADLP CN(CCC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cc[nH+]cc1 ZINC000543714759 490943331 /nfs/dbraw/zinc/94/33/31/490943331.db2.gz GOXBROVNTFDLBJ-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000531391511 490956121 /nfs/dbraw/zinc/95/61/21/490956121.db2.gz LMGHPVRZUAMDLY-QGZVFWFLSA-N 2 2 368.485 0.869 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000531391511 490956123 /nfs/dbraw/zinc/95/61/23/490956123.db2.gz LMGHPVRZUAMDLY-QGZVFWFLSA-N 2 2 368.485 0.869 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000519121308 490962217 /nfs/dbraw/zinc/96/22/17/490962217.db2.gz XXIWWKRIANHTSF-OAGGEKHMSA-N 2 2 354.495 0.380 20 0 FCADLP COC[C@@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000519148589 490963049 /nfs/dbraw/zinc/96/30/49/490963049.db2.gz MBUSORGDFBWRJK-HXUWFJFHSA-N 2 2 374.485 0.832 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531663811 490970112 /nfs/dbraw/zinc/97/01/12/490970112.db2.gz XLHQFPXRCXXAHC-HOTGVXAUSA-N 2 2 356.536 0.978 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])c3cscn3)cc2)CC1 ZINC000572398821 491367574 /nfs/dbraw/zinc/36/75/74/491367574.db2.gz DXXTZSUMKOZJAR-INIZCTEOSA-N 2 2 373.482 0.847 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532027166 490983697 /nfs/dbraw/zinc/98/36/97/490983697.db2.gz JPPRPGPTVCACBU-OIISXLGYSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532027166 490983698 /nfs/dbraw/zinc/98/36/98/490983698.db2.gz JPPRPGPTVCACBU-OIISXLGYSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000532214942 490989522 /nfs/dbraw/zinc/98/95/22/490989522.db2.gz KYBZDAOKMFSGSY-QGZVFWFLSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000532214942 490989523 /nfs/dbraw/zinc/98/95/23/490989523.db2.gz KYBZDAOKMFSGSY-QGZVFWFLSA-N 2 2 373.501 0.968 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000532230234 490989679 /nfs/dbraw/zinc/98/96/79/490989679.db2.gz CNBAZDHNYRNTJS-HNNXBMFYSA-N 2 2 369.429 0.041 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000532230234 490989680 /nfs/dbraw/zinc/98/96/80/490989680.db2.gz CNBAZDHNYRNTJS-HNNXBMFYSA-N 2 2 369.429 0.041 20 0 FCADLP CC(C)C[C@@H](CCC(=O)N1CC[NH+](C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC000532342811 490991490 /nfs/dbraw/zinc/99/14/90/490991490.db2.gz YLDOIIRMMLLXRI-QGZVFWFLSA-N 2 2 352.523 0.977 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000572405482 491368182 /nfs/dbraw/zinc/36/81/82/491368182.db2.gz PHEYOGITAYGWHP-XIRDDKMYSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612481159 491923951 /nfs/dbraw/zinc/92/39/51/491923951.db2.gz QVAINMSRDCZVCH-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)c1ccc(-n2cncn2)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476904 491926099 /nfs/dbraw/zinc/92/60/99/491926099.db2.gz BVIKDCNOZMHIKG-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccc(-n2cncn2)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476904 491926100 /nfs/dbraw/zinc/92/61/00/491926100.db2.gz BVIKDCNOZMHIKG-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP CNC(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000601479906 491926129 /nfs/dbraw/zinc/92/61/29/491926129.db2.gz YEGNLILGSPYYDL-INIZCTEOSA-N 2 2 359.474 0.682 20 0 FCADLP CNC(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000601479906 491926131 /nfs/dbraw/zinc/92/61/31/491926131.db2.gz YEGNLILGSPYYDL-INIZCTEOSA-N 2 2 359.474 0.682 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000602018969 491957129 /nfs/dbraw/zinc/95/71/29/491957129.db2.gz CUFBNKXLHQBBCO-UHFFFAOYSA-N 2 2 352.479 0.998 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000569558551 491168457 /nfs/dbraw/zinc/16/84/57/491168457.db2.gz VBURFLOFDQJVMD-KRWDZBQOSA-N 2 2 359.474 0.593 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000569558551 491168461 /nfs/dbraw/zinc/16/84/61/491168461.db2.gz VBURFLOFDQJVMD-KRWDZBQOSA-N 2 2 359.474 0.593 20 0 FCADLP C[C@H]1C[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000569692463 491181825 /nfs/dbraw/zinc/18/18/25/491181825.db2.gz AVFWLZZTOVVHDH-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000569692460 491181986 /nfs/dbraw/zinc/18/19/86/491181986.db2.gz AVFWLZZTOVVHDH-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000554199919 491183557 /nfs/dbraw/zinc/18/35/57/491183557.db2.gz OQKZCYLREYSEKU-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000554199919 491183560 /nfs/dbraw/zinc/18/35/60/491183560.db2.gz OQKZCYLREYSEKU-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C[C@@H]1O ZINC000569740191 491187791 /nfs/dbraw/zinc/18/77/91/491187791.db2.gz NWUOVRCTKMHZOD-ROUUACIJSA-N 2 2 354.454 0.970 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C[C@@H]1O ZINC000569740191 491187796 /nfs/dbraw/zinc/18/77/96/491187796.db2.gz NWUOVRCTKMHZOD-ROUUACIJSA-N 2 2 354.454 0.970 20 0 FCADLP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000569739882 491187935 /nfs/dbraw/zinc/18/79/35/491187935.db2.gz LLFLXLHEADOOAW-IBGZPJMESA-N 2 2 368.485 0.944 20 0 FCADLP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000569739882 491187937 /nfs/dbraw/zinc/18/79/37/491187937.db2.gz LLFLXLHEADOOAW-IBGZPJMESA-N 2 2 368.485 0.944 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000565351301 491370978 /nfs/dbraw/zinc/37/09/78/491370978.db2.gz FTPZKJFTBZATCB-OAHLLOKOSA-N 2 2 360.458 0.186 20 0 FCADLP CCN1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000572467105 491372193 /nfs/dbraw/zinc/37/21/93/491372193.db2.gz GVNGLXLKJXTSNJ-RHSMWYFYSA-N 2 2 350.467 0.567 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CCN2C1=O ZINC000572499169 491374526 /nfs/dbraw/zinc/37/45/26/491374526.db2.gz ZNAROFLKNUHZBI-HUUCEWRRSA-N 2 2 358.446 0.135 20 0 FCADLP COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000565417505 491375060 /nfs/dbraw/zinc/37/50/60/491375060.db2.gz ULVRAMWSPSJEOX-RVKKMQEKSA-N 2 2 365.474 0.831 20 0 FCADLP COCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000565417505 491375063 /nfs/dbraw/zinc/37/50/63/491375063.db2.gz ULVRAMWSPSJEOX-RVKKMQEKSA-N 2 2 365.474 0.831 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000557479780 491377040 /nfs/dbraw/zinc/37/70/40/491377040.db2.gz CRNBEXXOPIHMBG-UHFFFAOYSA-N 2 2 370.457 0.806 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CC(F)(F)C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000565488062 491379933 /nfs/dbraw/zinc/37/99/33/491379933.db2.gz NFBWHHWYKIWFHB-GFCCVEGCSA-N 2 2 355.451 0.328 20 0 FCADLP C[NH+](CCNc1nc(NCC[N@@H+](C)C2CC2)[nH+]c2c1SCC2)C1CC1 ZINC000557538928 491381136 /nfs/dbraw/zinc/38/11/36/491381136.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 3 2 362.547 0.981 20 0 FCADLP C[NH+](CCNc1nc(NCC[N@H+](C)C2CC2)[nH+]c2c1SCC2)C1CC1 ZINC000557538928 491381137 /nfs/dbraw/zinc/38/11/37/491381137.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 3 2 362.547 0.981 20 0 FCADLP C[NH+](CCNc1nc(NCC[N@H+](C)C2CC2)c2c([nH+]1)CCS2)C1CC1 ZINC000557538928 491381138 /nfs/dbraw/zinc/38/11/38/491381138.db2.gz QOZOEKUPONPWLP-UHFFFAOYSA-N 3 2 362.547 0.981 20 0 FCADLP C[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CC(C)C1 ZINC000557594247 491386291 /nfs/dbraw/zinc/38/62/91/491386291.db2.gz WIXUIXSPATXUKW-HOTGVXAUSA-N 2 2 352.523 0.925 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000660281333 493339262 /nfs/dbraw/zinc/33/92/62/493339262.db2.gz VTUQDBYZOUMJBV-CVEARBPZSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000660281333 493339266 /nfs/dbraw/zinc/33/92/66/493339266.db2.gz VTUQDBYZOUMJBV-CVEARBPZSA-N 2 2 361.490 0.703 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CCN2C1=O ZINC000565610680 491389106 /nfs/dbraw/zinc/38/91/06/491389106.db2.gz YDPSKGGOKZGTOL-STQMWFEESA-N 2 2 362.821 0.441 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565651429 491391063 /nfs/dbraw/zinc/39/10/63/491391063.db2.gz DIVXTTRFNNFYEO-HOTGVXAUSA-N 3 2 367.519 0.250 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000557702798 491391723 /nfs/dbraw/zinc/39/17/23/491391723.db2.gz BRPQSQVSRORHKR-GJZGRUSLSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557707453 491392803 /nfs/dbraw/zinc/39/28/03/491392803.db2.gz JPPSWMCWYXYBET-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557707453 491392805 /nfs/dbraw/zinc/39/28/05/491392805.db2.gz JPPSWMCWYXYBET-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000557707070 491392968 /nfs/dbraw/zinc/39/29/68/491392968.db2.gz YMOOVMNMYWFIOU-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+]2CCOCC2)s1 ZINC000565706162 491394443 /nfs/dbraw/zinc/39/44/43/491394443.db2.gz WWJKOQIYCBZHMR-KNCOVGOOSA-N 2 2 350.488 0.947 20 0 FCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572823332 491396006 /nfs/dbraw/zinc/39/60/06/491396006.db2.gz XJDOYLUACQCQCH-BBRMVZONSA-N 2 2 350.488 0.507 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000565765502 491398355 /nfs/dbraw/zinc/39/83/55/491398355.db2.gz SREJLENGMUXOJL-ZACQAIPSSA-N 3 2 353.511 0.039 20 0 FCADLP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000565765502 491398356 /nfs/dbraw/zinc/39/83/56/491398356.db2.gz SREJLENGMUXOJL-ZACQAIPSSA-N 3 2 353.511 0.039 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000572903867 491401163 /nfs/dbraw/zinc/40/11/63/491401163.db2.gz FIEZEFSKJSGFPS-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000565833168 491402011 /nfs/dbraw/zinc/40/20/11/491402011.db2.gz OXUGGJQKSZVJFF-QGZVFWFLSA-N 2 2 370.457 0.545 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2nnc3n2CCCCC3)C[C@@H](C)O1 ZINC000572952665 491403456 /nfs/dbraw/zinc/40/34/56/491403456.db2.gz CKOBFYLROBOTNG-OAGGEKHMSA-N 2 2 351.495 0.607 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565903542 491406389 /nfs/dbraw/zinc/40/63/89/491406389.db2.gz JIVBGRVHTPYDDU-OSAQELSMSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565903542 491406392 /nfs/dbraw/zinc/40/63/92/491406392.db2.gz JIVBGRVHTPYDDU-OSAQELSMSA-N 2 2 350.850 0.589 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CCN2C1=O ZINC000573023111 491407844 /nfs/dbraw/zinc/40/78/44/491407844.db2.gz YBGKWVPDDQSBMJ-DLBZAZTESA-N 2 2 368.441 0.385 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573088615 491411386 /nfs/dbraw/zinc/41/13/86/491411386.db2.gz RYLJGPKFSQGDAB-ZBFHGGJFSA-N 2 2 372.469 0.592 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000566179598 491423395 /nfs/dbraw/zinc/42/33/95/491423395.db2.gz QGGOWSUVMLKRCV-LSDHHAIUSA-N 2 2 362.449 0.698 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000566199975 491425073 /nfs/dbraw/zinc/42/50/73/491425073.db2.gz IQJNFNKJNOJPTF-UHFFFAOYSA-N 2 2 354.418 0.901 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000573307906 491425169 /nfs/dbraw/zinc/42/51/69/491425169.db2.gz ZBYSHWCLLHBFPM-IAGOWNOFSA-N 2 2 359.474 0.634 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000573307906 491425170 /nfs/dbraw/zinc/42/51/70/491425170.db2.gz ZBYSHWCLLHBFPM-IAGOWNOFSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000566201325 491425341 /nfs/dbraw/zinc/42/53/41/491425341.db2.gz XUPPLCLRJZSOOO-HZPDHXFCSA-N 2 2 359.474 0.706 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000558394561 491428578 /nfs/dbraw/zinc/42/85/78/491428578.db2.gz HIVUTTIGEHTNRS-SQNIBIBYSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000558394561 491428579 /nfs/dbraw/zinc/42/85/79/491428579.db2.gz HIVUTTIGEHTNRS-SQNIBIBYSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000558394561 491428581 /nfs/dbraw/zinc/42/85/81/491428581.db2.gz HIVUTTIGEHTNRS-SQNIBIBYSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000558394561 491428582 /nfs/dbraw/zinc/42/85/82/491428582.db2.gz HIVUTTIGEHTNRS-SQNIBIBYSA-N 2 2 369.554 0.355 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000566244165 491430137 /nfs/dbraw/zinc/43/01/37/491430137.db2.gz CWFOLWVCIRXCJG-XIRDDKMYSA-N 2 2 365.499 0.766 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000566244165 491430138 /nfs/dbraw/zinc/43/01/38/491430138.db2.gz CWFOLWVCIRXCJG-XIRDDKMYSA-N 2 2 365.499 0.766 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428731 491432554 /nfs/dbraw/zinc/43/25/54/491432554.db2.gz RNMJTXPDVNJKCF-OALUTQOASA-N 2 2 360.502 0.722 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428731 491432555 /nfs/dbraw/zinc/43/25/55/491432555.db2.gz RNMJTXPDVNJKCF-OALUTQOASA-N 2 2 360.502 0.722 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC[S@@]1=O ZINC000566300437 491434055 /nfs/dbraw/zinc/43/40/55/491434055.db2.gz LBBIBIXTDAHLFZ-LIHGKODYSA-N 2 2 360.483 0.781 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000558530689 491434698 /nfs/dbraw/zinc/43/46/98/491434698.db2.gz QVQAEBLJIIXABQ-KRWDZBQOSA-N 2 2 369.469 0.976 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000558530689 491434700 /nfs/dbraw/zinc/43/47/00/491434700.db2.gz QVQAEBLJIIXABQ-KRWDZBQOSA-N 2 2 369.469 0.976 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000573505618 491437786 /nfs/dbraw/zinc/43/77/86/491437786.db2.gz BEVUQXSXNWCBMN-DOTOQJQBSA-N 2 2 360.458 0.124 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000573505618 491437787 /nfs/dbraw/zinc/43/77/87/491437787.db2.gz BEVUQXSXNWCBMN-DOTOQJQBSA-N 2 2 360.458 0.124 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000573667392 491446926 /nfs/dbraw/zinc/44/69/26/491446926.db2.gz HTLKGLXHLQEUFO-LZLYRXPVSA-N 2 2 368.547 0.882 20 0 FCADLP Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)O2)n1 ZINC000566614848 491456293 /nfs/dbraw/zinc/45/62/93/491456293.db2.gz BCBKPZPPVKMCAN-AMSCCUFHSA-N 2 2 354.451 0.658 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCc1cccc2cccnc21 ZINC000566620359 491456700 /nfs/dbraw/zinc/45/67/00/491456700.db2.gz AJUUAACUWDVDRO-LJQANCHMSA-N 2 2 367.497 0.873 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000566668688 491459144 /nfs/dbraw/zinc/45/91/44/491459144.db2.gz VPYJNURTPSLPMD-QGZVFWFLSA-N 2 2 372.473 0.540 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000559364369 491467558 /nfs/dbraw/zinc/46/75/58/491467558.db2.gz NDMQCVDMIZUIIV-KGLIPLIRSA-N 2 2 359.430 0.748 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000566833180 491469861 /nfs/dbraw/zinc/46/98/61/491469861.db2.gz OIOAWOHRDPTWAE-QGZVFWFLSA-N 3 2 356.474 0.951 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000574036510 491470532 /nfs/dbraw/zinc/47/05/32/491470532.db2.gz TUTURADAHDXNRA-NVXWUHKLSA-N 2 2 369.473 0.944 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCc4nnnn4CC3)c2cc1C ZINC000566851170 491470912 /nfs/dbraw/zinc/47/09/12/491470912.db2.gz NPCNBZOJFYXYTL-CABCVRRESA-N 2 2 355.446 0.995 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000559440000 491473148 /nfs/dbraw/zinc/47/31/48/491473148.db2.gz DWXOIIHCWLEBED-SJORKVTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000559440000 491473150 /nfs/dbraw/zinc/47/31/50/491473150.db2.gz DWXOIIHCWLEBED-SJORKVTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000559440000 491473152 /nfs/dbraw/zinc/47/31/52/491473152.db2.gz DWXOIIHCWLEBED-SJORKVTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000559440000 491473154 /nfs/dbraw/zinc/47/31/54/491473154.db2.gz DWXOIIHCWLEBED-SJORKVTESA-N 2 2 368.522 0.258 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000559446236 491473961 /nfs/dbraw/zinc/47/39/61/491473961.db2.gz AQMXLXHEBCFSAZ-UHFFFAOYSA-N 2 2 371.441 0.185 20 0 FCADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000574118783 491475432 /nfs/dbraw/zinc/47/54/32/491475432.db2.gz FWICFFRDBZWNGR-HNNXBMFYSA-N 2 2 361.490 0.895 20 0 FCADLP COCCn1cc2c(n1)[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000566969948 491478463 /nfs/dbraw/zinc/47/84/63/491478463.db2.gz SYUZUZGQBFJZRK-IRXDYDNUSA-N 2 2 351.495 0.105 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549889 491480200 /nfs/dbraw/zinc/48/02/00/491480200.db2.gz OQHVMIVRYJZVGG-BBWFWOEESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549889 491480203 /nfs/dbraw/zinc/48/02/03/491480203.db2.gz OQHVMIVRYJZVGG-BBWFWOEESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549652 491480260 /nfs/dbraw/zinc/48/02/60/491480260.db2.gz HQDKODYZVWACBF-ZOBUZTSGSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549652 491480261 /nfs/dbraw/zinc/48/02/61/491480261.db2.gz HQDKODYZVWACBF-ZOBUZTSGSA-N 2 2 366.506 0.201 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000567046973 491482490 /nfs/dbraw/zinc/48/24/90/491482490.db2.gz BMEDATMWIOABLC-GJZGRUSLSA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000567046973 491482491 /nfs/dbraw/zinc/48/24/91/491482491.db2.gz BMEDATMWIOABLC-GJZGRUSLSA-N 2 2 363.462 0.422 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CCN2C1=O ZINC000574340626 491490352 /nfs/dbraw/zinc/49/03/52/491490352.db2.gz NDXPCHJFPCSDSJ-HOTGVXAUSA-N 2 2 354.414 0.326 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000567278351 491496643 /nfs/dbraw/zinc/49/66/43/491496643.db2.gz PMESKGMOJFONNG-IMJJTQAJSA-N 2 2 374.489 0.214 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000567278351 491496645 /nfs/dbraw/zinc/49/66/45/491496645.db2.gz PMESKGMOJFONNG-IMJJTQAJSA-N 2 2 374.489 0.214 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000574450268 491497762 /nfs/dbraw/zinc/49/77/62/491497762.db2.gz KMMBSFRTUWVCEV-OLZOCXBDSA-N 2 2 362.478 0.708 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000559780796 491499574 /nfs/dbraw/zinc/49/95/74/491499574.db2.gz LLWDQMBPFDTTAT-ZDUSSCGKSA-N 2 2 350.467 0.093 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)c1ccnc(C[NH3+])c1 ZINC000567350537 491501171 /nfs/dbraw/zinc/50/11/71/491501171.db2.gz MHKORAPUVZMHLN-RDJZCZTQSA-N 2 2 360.437 0.958 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)c1ccnc(C[NH3+])c1 ZINC000567350537 491501172 /nfs/dbraw/zinc/50/11/72/491501172.db2.gz MHKORAPUVZMHLN-RDJZCZTQSA-N 2 2 360.437 0.958 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000574505647 491501338 /nfs/dbraw/zinc/50/13/38/491501338.db2.gz PMFKYBDVAYIJDR-GDBMZVCRSA-N 2 2 359.474 0.431 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000574505647 491501341 /nfs/dbraw/zinc/50/13/41/491501341.db2.gz PMFKYBDVAYIJDR-GDBMZVCRSA-N 2 2 359.474 0.431 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1csc(C[NH3+])n1 ZINC000567382916 491502976 /nfs/dbraw/zinc/50/29/76/491502976.db2.gz DYHVVNAAOXEWIU-QWRGUYRKSA-N 2 2 352.439 0.678 20 0 FCADLP C[N@@H+]1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000574636271 491510038 /nfs/dbraw/zinc/51/00/38/491510038.db2.gz SQOFKAVAEQBMAU-JCYILVPMSA-N 2 2 350.507 0.953 20 0 FCADLP C[N@H+]1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000574636271 491510040 /nfs/dbraw/zinc/51/00/40/491510040.db2.gz SQOFKAVAEQBMAU-JCYILVPMSA-N 2 2 350.507 0.953 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528110 491512140 /nfs/dbraw/zinc/51/21/40/491512140.db2.gz KKFVDLPIZKCISE-RDJZCZTQSA-N 2 2 366.506 0.226 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528110 491512142 /nfs/dbraw/zinc/51/21/42/491512142.db2.gz KKFVDLPIZKCISE-RDJZCZTQSA-N 2 2 366.506 0.226 20 0 FCADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)COC1C[NH2+]C1)CC2 ZINC000574689810 491513906 /nfs/dbraw/zinc/51/39/06/491513906.db2.gz UNXWBOMLRXOERL-CQSZACIVSA-N 2 2 350.488 0.944 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000560034892 491517337 /nfs/dbraw/zinc/51/73/37/491517337.db2.gz PDQKZDCTCAFHKT-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000560034892 491517340 /nfs/dbraw/zinc/51/73/40/491517340.db2.gz PDQKZDCTCAFHKT-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)CN1CC[NH+]1CCOCC1 ZINC000567629085 491519032 /nfs/dbraw/zinc/51/90/32/491519032.db2.gz UBBRGTGRYLUBKQ-QZTJIDSGSA-N 2 2 358.486 0.852 20 0 FCADLP CC(C)OC[C@H](CO)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683375594 493347920 /nfs/dbraw/zinc/34/79/20/493347920.db2.gz GEORMOSLMWRSRK-RDJZCZTQSA-N 2 2 356.511 0.582 20 0 FCADLP CC(C)OC[C@H](CO)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683375594 493347922 /nfs/dbraw/zinc/34/79/22/493347922.db2.gz GEORMOSLMWRSRK-RDJZCZTQSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000567845097 491534496 /nfs/dbraw/zinc/53/44/96/491534496.db2.gz JYOCDNRHPNUVQE-MAUKXSAKSA-N 2 2 363.481 0.356 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC000575049184 491536242 /nfs/dbraw/zinc/53/62/42/491536242.db2.gz VWVLTSDKUSBWIC-WMLDXEAASA-N 2 2 373.457 0.753 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)C1 ZINC000575049184 491536243 /nfs/dbraw/zinc/53/62/43/491536243.db2.gz VWVLTSDKUSBWIC-WMLDXEAASA-N 2 2 373.457 0.753 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000567893391 491539014 /nfs/dbraw/zinc/53/90/14/491539014.db2.gz MDZWECJSJLJTRQ-QGZVFWFLSA-N 2 2 369.473 0.365 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000567893391 491539015 /nfs/dbraw/zinc/53/90/15/491539015.db2.gz MDZWECJSJLJTRQ-QGZVFWFLSA-N 2 2 369.473 0.365 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000575165036 491543237 /nfs/dbraw/zinc/54/32/37/491543237.db2.gz SVHDTCOAAYFGCD-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000575165036 491543238 /nfs/dbraw/zinc/54/32/38/491543238.db2.gz SVHDTCOAAYFGCD-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000575174432 491543785 /nfs/dbraw/zinc/54/37/85/491543785.db2.gz FFNSRWDYSRUGBY-KSZLIROESA-N 2 2 355.523 0.691 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000575174432 491543786 /nfs/dbraw/zinc/54/37/86/491543786.db2.gz FFNSRWDYSRUGBY-KSZLIROESA-N 2 2 355.523 0.691 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000560525085 491544015 /nfs/dbraw/zinc/54/40/15/491544015.db2.gz HCHGGEQSSYQDOS-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000560525085 491544016 /nfs/dbraw/zinc/54/40/16/491544016.db2.gz HCHGGEQSSYQDOS-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560562955 491544979 /nfs/dbraw/zinc/54/49/79/491544979.db2.gz BJGQJJRCJGNDSW-QXSJWSMHSA-N 2 2 356.511 0.303 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560562955 491544980 /nfs/dbraw/zinc/54/49/80/491544980.db2.gz BJGQJJRCJGNDSW-QXSJWSMHSA-N 2 2 356.511 0.303 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000560621282 491547176 /nfs/dbraw/zinc/54/71/76/491547176.db2.gz GBDKNROJLSBRBT-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575322727 491548795 /nfs/dbraw/zinc/54/87/95/491548795.db2.gz SIFQEZLHOGGBTP-PVAVHDDUSA-N 2 2 352.504 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575322727 491548797 /nfs/dbraw/zinc/54/87/97/491548797.db2.gz SIFQEZLHOGGBTP-PVAVHDDUSA-N 2 2 352.504 0.916 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000560728349 491553681 /nfs/dbraw/zinc/55/36/81/491553681.db2.gz MTDRHZOCAUNSAC-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000560727532 491553776 /nfs/dbraw/zinc/55/37/76/491553776.db2.gz GGLXDFZBDMJMQG-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000560727532 491553779 /nfs/dbraw/zinc/55/37/79/491553779.db2.gz GGLXDFZBDMJMQG-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000560745446 491555195 /nfs/dbraw/zinc/55/51/95/491555195.db2.gz XWVYMADUMXKTDF-UHFFFAOYSA-N 2 2 355.442 0.825 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560778594 491557112 /nfs/dbraw/zinc/55/71/12/491557112.db2.gz YAAHAIIYJIGFPG-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560778594 491557113 /nfs/dbraw/zinc/55/71/13/491557113.db2.gz YAAHAIIYJIGFPG-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560778802 491557128 /nfs/dbraw/zinc/55/71/28/491557128.db2.gz YAAHAIIYJIGFPG-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000560778802 491557131 /nfs/dbraw/zinc/55/71/31/491557131.db2.gz YAAHAIIYJIGFPG-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748705 491558392 /nfs/dbraw/zinc/55/83/92/491558392.db2.gz UADBVRCQBFJIBP-QWHCGFSZSA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748705 491558394 /nfs/dbraw/zinc/55/83/94/491558394.db2.gz UADBVRCQBFJIBP-QWHCGFSZSA-N 2 2 354.476 0.640 20 0 FCADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000575783863 491560610 /nfs/dbraw/zinc/56/06/10/491560610.db2.gz LFUDMMQZQOPFBL-BZUAXINKSA-N 2 2 363.458 0.723 20 0 FCADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000575783863 491560613 /nfs/dbraw/zinc/56/06/13/491560613.db2.gz LFUDMMQZQOPFBL-BZUAXINKSA-N 2 2 363.458 0.723 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000575782749 491560762 /nfs/dbraw/zinc/56/07/62/491560762.db2.gz PJYCNSBBWKLMEU-IJEWVQPXSA-N 2 2 355.442 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000575782750 491560882 /nfs/dbraw/zinc/56/08/82/491560882.db2.gz PJYCNSBBWKLMEU-YCPHGPKFSA-N 2 2 355.442 0.835 20 0 FCADLP COCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560876961 491561530 /nfs/dbraw/zinc/56/15/30/491561530.db2.gz ZZGBNNFCWCBBIC-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000575811731 491562660 /nfs/dbraw/zinc/56/26/60/491562660.db2.gz AXFBIPMNQALZJC-JJRVBVJISA-N 2 2 360.462 0.620 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000560903280 491563706 /nfs/dbraw/zinc/56/37/06/491563706.db2.gz UTSUXEMSPQONGK-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000560903280 491563708 /nfs/dbraw/zinc/56/37/08/491563708.db2.gz UTSUXEMSPQONGK-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000568264691 491563906 /nfs/dbraw/zinc/56/39/06/491563906.db2.gz SSBBTXXWNRFPEI-HNNXBMFYSA-N 2 2 368.503 0.025 20 0 FCADLP Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000568264691 491563907 /nfs/dbraw/zinc/56/39/07/491563907.db2.gz SSBBTXXWNRFPEI-HNNXBMFYSA-N 2 2 368.503 0.025 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000560906850 491564497 /nfs/dbraw/zinc/56/44/97/491564497.db2.gz JQMJRJSXYHOFGP-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000560906850 491564498 /nfs/dbraw/zinc/56/44/98/491564498.db2.gz JQMJRJSXYHOFGP-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000560906850 491564500 /nfs/dbraw/zinc/56/45/00/491564500.db2.gz JQMJRJSXYHOFGP-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000560906850 491564502 /nfs/dbraw/zinc/56/45/02/491564502.db2.gz JQMJRJSXYHOFGP-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000568267162 491564629 /nfs/dbraw/zinc/56/46/29/491564629.db2.gz BSVVHQHFZFNRPG-MSOLQXFVSA-N 2 2 358.486 0.713 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000568267162 491564630 /nfs/dbraw/zinc/56/46/30/491564630.db2.gz BSVVHQHFZFNRPG-MSOLQXFVSA-N 2 2 358.486 0.713 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000575852650 491565087 /nfs/dbraw/zinc/56/50/87/491565087.db2.gz JVNFUIGLFWEOGO-QZTJIDSGSA-N 2 2 361.490 0.263 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568270263 491565594 /nfs/dbraw/zinc/56/55/94/491565594.db2.gz YTTPRFCYRPPDMQ-IKGGRYGDSA-N 2 2 358.486 0.971 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568270263 491565595 /nfs/dbraw/zinc/56/55/95/491565595.db2.gz YTTPRFCYRPPDMQ-IKGGRYGDSA-N 2 2 358.486 0.971 20 0 FCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000560950985 491566837 /nfs/dbraw/zinc/56/68/37/491566837.db2.gz DHQVCIQBEVXKIT-NVXWUHKLSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560950985 491566840 /nfs/dbraw/zinc/56/68/40/491566840.db2.gz DHQVCIQBEVXKIT-NVXWUHKLSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000575913493 491569681 /nfs/dbraw/zinc/56/96/81/491569681.db2.gz JAWUUVBKUHRNSZ-HNNXBMFYSA-N 2 2 368.547 0.627 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000575913493 491569684 /nfs/dbraw/zinc/56/96/84/491569684.db2.gz JAWUUVBKUHRNSZ-HNNXBMFYSA-N 2 2 368.547 0.627 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nn1 ZINC000576035278 491577330 /nfs/dbraw/zinc/57/73/30/491577330.db2.gz HISPPUPGMVLEDM-KRWDZBQOSA-N 2 2 372.473 0.820 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584362455 491583158 /nfs/dbraw/zinc/58/31/58/491583158.db2.gz ZUFFQLFWTLJHAR-WBVHZDCISA-N 2 2 360.458 0.288 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000584362455 491583161 /nfs/dbraw/zinc/58/31/61/491583161.db2.gz ZUFFQLFWTLJHAR-WBVHZDCISA-N 2 2 360.458 0.288 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000561229947 491585866 /nfs/dbraw/zinc/58/58/66/491585866.db2.gz WDMJEUGLWNIDBR-ZWKOTPCHSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000561229947 491585868 /nfs/dbraw/zinc/58/58/68/491585868.db2.gz WDMJEUGLWNIDBR-ZWKOTPCHSA-N 2 2 374.485 0.201 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584399759 491586155 /nfs/dbraw/zinc/58/61/55/491586155.db2.gz QJEKAQDECWWHPO-HOTGVXAUSA-N 2 2 361.494 0.510 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000561224292 491586153 /nfs/dbraw/zinc/58/61/53/491586153.db2.gz SFKOGAXAYREVFW-HNKHHVNMSA-N 2 2 352.458 0.759 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000561224292 491586158 /nfs/dbraw/zinc/58/61/58/491586158.db2.gz SFKOGAXAYREVFW-HNKHHVNMSA-N 2 2 352.458 0.759 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576149022 491586314 /nfs/dbraw/zinc/58/63/14/491586314.db2.gz FFJWGQBJSJYZSN-JKSUJKDBSA-N 2 2 374.489 0.479 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000576149022 491586319 /nfs/dbraw/zinc/58/63/19/491586319.db2.gz FFJWGQBJSJYZSN-JKSUJKDBSA-N 2 2 374.489 0.479 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000584413475 491588638 /nfs/dbraw/zinc/58/86/38/491588638.db2.gz YHIYKMKATATXAM-KDOFPFPSSA-N 2 2 356.470 0.685 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000568608776 491590880 /nfs/dbraw/zinc/59/08/80/491590880.db2.gz GNPBHLCQUXLJQF-KRWDZBQOSA-N 2 2 365.522 0.762 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000577122695 491592770 /nfs/dbraw/zinc/59/27/70/491592770.db2.gz WKGMCLSPXXLTTH-GOSISDBHSA-N 2 2 367.465 0.959 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000577122695 491592772 /nfs/dbraw/zinc/59/27/72/491592772.db2.gz WKGMCLSPXXLTTH-GOSISDBHSA-N 2 2 367.465 0.959 20 0 FCADLP COc1ccc(C[N@H+](CCN2CC[NH2+]CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000568632617 491594744 /nfs/dbraw/zinc/59/47/44/491594744.db2.gz WHHRGJDVEVFABL-QGZVFWFLSA-N 2 2 367.515 0.590 20 0 FCADLP COc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000568632617 491594746 /nfs/dbraw/zinc/59/47/46/491594746.db2.gz WHHRGJDVEVFABL-QGZVFWFLSA-N 2 2 367.515 0.590 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000584519348 491599130 /nfs/dbraw/zinc/59/91/30/491599130.db2.gz BAMPGZAESDIIPB-QGZVFWFLSA-N 2 2 365.522 0.714 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188283 491599634 /nfs/dbraw/zinc/59/96/34/491599634.db2.gz CCACHORQUXTTGZ-GJZGRUSLSA-N 2 2 363.462 0.722 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000561366594 491601327 /nfs/dbraw/zinc/60/13/27/491601327.db2.gz FXBYRRLAXSUOGY-JYJNAYRXSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000584540781 491602178 /nfs/dbraw/zinc/60/21/78/491602178.db2.gz KSYHNEWOLNGPPY-MSOLQXFVSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000584540781 491602181 /nfs/dbraw/zinc/60/21/81/491602181.db2.gz KSYHNEWOLNGPPY-MSOLQXFVSA-N 2 2 374.485 0.472 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000561367795 491602208 /nfs/dbraw/zinc/60/22/08/491602208.db2.gz SADVAZQXNGJHPA-BBWFWOEESA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000561368803 491603175 /nfs/dbraw/zinc/60/31/75/491603175.db2.gz YVYMNNCCYVJATQ-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000561368803 491603178 /nfs/dbraw/zinc/60/31/78/491603178.db2.gz YVYMNNCCYVJATQ-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@H+](C)C[C@@H]2CC)([NH+]2CCOCC2)C1 ZINC000577265517 491607499 /nfs/dbraw/zinc/60/74/99/491607499.db2.gz VIBDKSLGJZAOHJ-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CC)([NH+]2CCOCC2)C1 ZINC000577265517 491607501 /nfs/dbraw/zinc/60/75/01/491607501.db2.gz VIBDKSLGJZAOHJ-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000577302556 491611464 /nfs/dbraw/zinc/61/14/64/491611464.db2.gz ZIHHHIDNVGGWNO-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000577302556 491611465 /nfs/dbraw/zinc/61/14/65/491611465.db2.gz ZIHHHIDNVGGWNO-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000561536463 491615137 /nfs/dbraw/zinc/61/51/37/491615137.db2.gz HAZCYWMJIXEOLI-CABCVRRESA-N 2 2 362.478 0.758 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000561536463 491615141 /nfs/dbraw/zinc/61/51/41/491615141.db2.gz HAZCYWMJIXEOLI-CABCVRRESA-N 2 2 362.478 0.758 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)[C@@H](C[NH3+])C1 ZINC000576450982 491615573 /nfs/dbraw/zinc/61/55/73/491615573.db2.gz LFBNDUNFYWHXMO-NSHDSACASA-N 2 2 372.372 0.801 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)[C@@H](C[NH3+])C1 ZINC000576450982 491615574 /nfs/dbraw/zinc/61/55/74/491615574.db2.gz LFBNDUNFYWHXMO-NSHDSACASA-N 2 2 372.372 0.801 20 0 FCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)[C@H]2C1 ZINC000577418550 491620974 /nfs/dbraw/zinc/62/09/74/491620974.db2.gz ANAMHONMUDOYMV-YQAXKJAASA-N 2 2 353.507 0.693 20 0 FCADLP [NH3+]C[C@@H](C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000568982120 491623904 /nfs/dbraw/zinc/62/39/04/491623904.db2.gz HOZPZOQFWQZTSN-MRXNPFEDSA-N 2 2 354.458 0.830 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000577477981 491624824 /nfs/dbraw/zinc/62/48/24/491624824.db2.gz CBXVQDSOPSYGAO-HRCADAONSA-N 2 2 370.538 0.694 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000569094749 491632889 /nfs/dbraw/zinc/63/28/89/491632889.db2.gz RTLCDIPCDGTFEI-DZGCQCFKSA-N 2 2 350.488 0.636 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000577591250 491634451 /nfs/dbraw/zinc/63/44/51/491634451.db2.gz XKKFAIATFIMJTC-OAGGEKHMSA-N 2 2 368.522 0.543 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000577630687 491638262 /nfs/dbraw/zinc/63/82/62/491638262.db2.gz UBKQWWMXIHNPHN-MRXNPFEDSA-N 2 2 362.474 0.163 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000577630687 491638266 /nfs/dbraw/zinc/63/82/66/491638266.db2.gz UBKQWWMXIHNPHN-MRXNPFEDSA-N 2 2 362.474 0.163 20 0 FCADLP CO[C@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000569217395 491642666 /nfs/dbraw/zinc/64/26/66/491642666.db2.gz FVKBJIBYBJMRHK-OAHLLOKOSA-N 2 2 365.865 0.996 20 0 FCADLP CCC(O)(CC)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000577680061 491642674 /nfs/dbraw/zinc/64/26/74/491642674.db2.gz MPBWIIILFBURCG-UHFFFAOYSA-N 2 2 370.538 0.528 20 0 FCADLP CCC(O)(CC)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000577680061 491642676 /nfs/dbraw/zinc/64/26/76/491642676.db2.gz MPBWIIILFBURCG-UHFFFAOYSA-N 2 2 370.538 0.528 20 0 FCADLP OC[C@H]1CSCC[NH+]1Cc1cncc(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000577706426 491643649 /nfs/dbraw/zinc/64/36/49/491643649.db2.gz RPMKKMRLHCQBKH-IRXDYDNUSA-N 2 2 369.556 0.901 20 0 FCADLP OC[C@H]1CSCC[NH+]1Cc1cncc(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000577706426 491643653 /nfs/dbraw/zinc/64/36/53/491643653.db2.gz RPMKKMRLHCQBKH-IRXDYDNUSA-N 2 2 369.556 0.901 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000576807814 491646566 /nfs/dbraw/zinc/64/65/66/491646566.db2.gz IOJJPFJKCIREEY-HOTGVXAUSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000576807814 491646570 /nfs/dbraw/zinc/64/65/70/491646570.db2.gz IOJJPFJKCIREEY-HOTGVXAUSA-N 2 2 351.495 0.452 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000569259721 491646967 /nfs/dbraw/zinc/64/69/67/491646967.db2.gz JOVQEEIZGFYHFI-DGCLKSJQSA-N 2 2 364.247 0.841 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H](c2ccccc2)C1 ZINC000577739790 491647651 /nfs/dbraw/zinc/64/76/51/491647651.db2.gz NPBWFFBNOHEVFV-FGTMMUONSA-N 2 2 356.470 0.855 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H](c2ccccc2)C1 ZINC000577739790 491647654 /nfs/dbraw/zinc/64/76/54/491647654.db2.gz NPBWFFBNOHEVFV-FGTMMUONSA-N 2 2 356.470 0.855 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)C[C@@H](C)O1 ZINC000577742596 491648190 /nfs/dbraw/zinc/64/81/90/491648190.db2.gz ZSPZLLHPLCDHBF-XSDHEKCYSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000577747435 491648572 /nfs/dbraw/zinc/64/85/72/491648572.db2.gz YEHXYFJRGBXFGP-IRXDYDNUSA-N 3 2 366.531 0.982 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000576834666 491649041 /nfs/dbraw/zinc/64/90/41/491649041.db2.gz NTPLMJISYGKWJC-ZDUSSCGKSA-N 2 2 356.430 0.919 20 0 FCADLP Cc1nc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)sc1Br ZINC000576863951 491651810 /nfs/dbraw/zinc/65/18/10/491651810.db2.gz NMZQSMMVEACIRB-NSHDSACASA-N 2 2 363.325 0.912 20 0 FCADLP COCCCNC(=O)[C@H](C)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000569352052 491654635 /nfs/dbraw/zinc/65/46/35/491654635.db2.gz UHFZBWIDLFVPIG-INIZCTEOSA-N 2 2 351.495 0.512 20 0 FCADLP CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000577832357 491655120 /nfs/dbraw/zinc/65/51/20/491655120.db2.gz VTUNKBYUOUXCDU-ZFWWWQNUSA-N 2 2 368.503 0.826 20 0 FCADLP CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000577832357 491655122 /nfs/dbraw/zinc/65/51/22/491655122.db2.gz VTUNKBYUOUXCDU-ZFWWWQNUSA-N 2 2 368.503 0.826 20 0 FCADLP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000562155699 491655873 /nfs/dbraw/zinc/65/58/73/491655873.db2.gz CYLFXNFRMRKDIG-QGZVFWFLSA-N 2 2 371.441 0.278 20 0 FCADLP CCOC(=O)CN(C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000569363993 491656336 /nfs/dbraw/zinc/65/63/36/491656336.db2.gz VGQMMLHLTNYSQZ-SFHVURJKSA-N 2 2 374.485 0.562 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000562294708 491664825 /nfs/dbraw/zinc/66/48/25/491664825.db2.gz YWWMJOPATKGGNA-HNNXBMFYSA-N 2 2 365.522 0.713 20 0 FCADLP COCCOc1cccc(CNC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000578022919 491668123 /nfs/dbraw/zinc/66/81/23/491668123.db2.gz ITFCNVMWLVWISU-UHFFFAOYSA-N 2 2 373.457 0.873 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000578171277 491671542 /nfs/dbraw/zinc/67/15/42/491671542.db2.gz XEUHOVZQSOYECB-GFCCVEGCSA-N 2 2 353.854 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000578171277 491671543 /nfs/dbraw/zinc/67/15/43/491671543.db2.gz XEUHOVZQSOYECB-GFCCVEGCSA-N 2 2 353.854 0.354 20 0 FCADLP CNC(=O)CN1CCC([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000578186565 491671755 /nfs/dbraw/zinc/67/17/55/491671755.db2.gz ZELZZSUNGPGLIR-QGZVFWFLSA-N 2 2 373.501 0.814 20 0 FCADLP CNC(=O)CN1CCC([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000578186564 491671792 /nfs/dbraw/zinc/67/17/92/491671792.db2.gz ZELZZSUNGPGLIR-KRWDZBQOSA-N 2 2 373.501 0.814 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000578441382 491677275 /nfs/dbraw/zinc/67/72/75/491677275.db2.gz RRDUOAYNHFSUSE-CYBMUJFWSA-N 2 2 373.238 0.935 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2ccc(I)cc2)[C@H](C[NH3+])C1 ZINC000578441382 491677276 /nfs/dbraw/zinc/67/72/76/491677276.db2.gz RRDUOAYNHFSUSE-CYBMUJFWSA-N 2 2 373.238 0.935 20 0 FCADLP Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578746807 491683441 /nfs/dbraw/zinc/68/34/41/491683441.db2.gz WKACIBNCYIUCOU-INIZCTEOSA-N 2 2 371.489 0.540 20 0 FCADLP Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578746807 491683442 /nfs/dbraw/zinc/68/34/42/491683442.db2.gz WKACIBNCYIUCOU-INIZCTEOSA-N 2 2 371.489 0.540 20 0 FCADLP Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000578865110 491686043 /nfs/dbraw/zinc/68/60/43/491686043.db2.gz GMTYDMALZBPCAJ-HNNXBMFYSA-N 2 2 368.503 0.073 20 0 FCADLP Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000578865110 491686044 /nfs/dbraw/zinc/68/60/44/491686044.db2.gz GMTYDMALZBPCAJ-HNNXBMFYSA-N 2 2 368.503 0.073 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O ZINC000579026245 491689587 /nfs/dbraw/zinc/68/95/87/491689587.db2.gz UEHNANHHMJPESL-GVDBMIGSSA-N 2 2 374.510 0.547 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043266 491689884 /nfs/dbraw/zinc/68/98/84/491689884.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043266 491689885 /nfs/dbraw/zinc/68/98/85/491689885.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043266 491689886 /nfs/dbraw/zinc/68/98/86/491689886.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043266 491689887 /nfs/dbraw/zinc/68/98/87/491689887.db2.gz AJTINHNIZUSCFM-GJJHYRHESA-N 3 2 368.566 0.291 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000579228028 491693458 /nfs/dbraw/zinc/69/34/58/491693458.db2.gz SUHCBQLTLFGNAB-UHFFFAOYSA-N 2 2 359.434 0.809 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000579309572 491695175 /nfs/dbraw/zinc/69/51/75/491695175.db2.gz WPAHVWQJBLCTGC-QGZVFWFLSA-N 2 2 355.527 0.376 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000579320591 491695180 /nfs/dbraw/zinc/69/51/80/491695180.db2.gz DRCWWJXQOBQROE-CABCVRRESA-N 2 2 360.462 0.839 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000579309571 491695291 /nfs/dbraw/zinc/69/52/91/491695291.db2.gz WPAHVWQJBLCTGC-KRWDZBQOSA-N 2 2 355.527 0.376 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000579456239 491698100 /nfs/dbraw/zinc/69/81/00/491698100.db2.gz HGVLIZSEQOBKRY-HUUCEWRRSA-N 2 2 364.494 0.461 20 0 FCADLP COC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](OC)C1 ZINC000579479799 491698786 /nfs/dbraw/zinc/69/87/86/491698786.db2.gz DHSLAJRHOUULDY-BFYDXBDKSA-N 2 2 355.479 0.487 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533067 491700012 /nfs/dbraw/zinc/70/00/12/491700012.db2.gz UOENMLCZFUQEIH-RHSMWYFYSA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533067 491700013 /nfs/dbraw/zinc/70/00/13/491700013.db2.gz UOENMLCZFUQEIH-RHSMWYFYSA-N 2 2 352.504 0.547 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000584671548 491709846 /nfs/dbraw/zinc/70/98/46/491709846.db2.gz YTJUZHLBKOBXST-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000579972986 491712015 /nfs/dbraw/zinc/71/20/15/491712015.db2.gz RNXNZFWIRDBQCP-DOTOQJQBSA-N 2 2 360.458 0.335 20 0 FCADLP CCCOc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000579972986 491712017 /nfs/dbraw/zinc/71/20/17/491712017.db2.gz RNXNZFWIRDBQCP-DOTOQJQBSA-N 2 2 360.458 0.335 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580002955 491713418 /nfs/dbraw/zinc/71/34/18/491713418.db2.gz YOBFIBAKBVNDMY-KBRIMQKVSA-N 2 2 358.442 0.660 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580002955 491713419 /nfs/dbraw/zinc/71/34/19/491713419.db2.gz YOBFIBAKBVNDMY-KBRIMQKVSA-N 2 2 358.442 0.660 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000580118876 491718364 /nfs/dbraw/zinc/71/83/64/491718364.db2.gz QFMJEBPXWKZFQY-WBVHZDCISA-N 2 2 363.462 0.246 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000580118876 491718365 /nfs/dbraw/zinc/71/83/65/491718365.db2.gz QFMJEBPXWKZFQY-WBVHZDCISA-N 2 2 363.462 0.246 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000580435339 491731117 /nfs/dbraw/zinc/73/11/17/491731117.db2.gz UXGXWSIPFSWBFE-NSHDSACASA-N 2 2 367.924 0.725 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000580435339 491731118 /nfs/dbraw/zinc/73/11/18/491731118.db2.gz UXGXWSIPFSWBFE-NSHDSACASA-N 2 2 367.924 0.725 20 0 FCADLP CO[C@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000580565147 491736485 /nfs/dbraw/zinc/73/64/85/491736485.db2.gz WLQRZZOHDJKLGP-ZBFHGGJFSA-N 2 2 371.503 0.754 20 0 FCADLP CO[C@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000580565147 491736487 /nfs/dbraw/zinc/73/64/87/491736487.db2.gz WLQRZZOHDJKLGP-ZBFHGGJFSA-N 2 2 371.503 0.754 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583663 491737205 /nfs/dbraw/zinc/73/72/05/491737205.db2.gz ZJBIWXKNPZIKLN-IAGOWNOFSA-N 2 2 368.453 0.961 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583663 491737207 /nfs/dbraw/zinc/73/72/07/491737207.db2.gz ZJBIWXKNPZIKLN-IAGOWNOFSA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583663 491737209 /nfs/dbraw/zinc/73/72/09/491737209.db2.gz ZJBIWXKNPZIKLN-IAGOWNOFSA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583663 491737211 /nfs/dbraw/zinc/73/72/11/491737211.db2.gz ZJBIWXKNPZIKLN-IAGOWNOFSA-N 2 2 368.453 0.961 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000580662864 491740885 /nfs/dbraw/zinc/74/08/85/491740885.db2.gz ISZXWFCRCOVSSM-QGZVFWFLSA-N 2 2 360.458 0.909 20 0 FCADLP CC1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000581241147 491765333 /nfs/dbraw/zinc/76/53/33/491765333.db2.gz SYXCEXDHJHTODS-CVEARBPZSA-N 2 2 366.506 0.252 20 0 FCADLP CC1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000581241152 491765352 /nfs/dbraw/zinc/76/53/52/491765352.db2.gz SYXCEXDHJHTODS-JKSUJKDBSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n(-c2ncccn2)n1 ZINC000581298497 491767604 /nfs/dbraw/zinc/76/76/04/491767604.db2.gz QWATWDUDMAOMNX-ZDUSSCGKSA-N 2 2 358.450 0.892 20 0 FCADLP CC(C)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n(-c2ncccn2)n1 ZINC000581298497 491767606 /nfs/dbraw/zinc/76/76/06/491767606.db2.gz QWATWDUDMAOMNX-ZDUSSCGKSA-N 2 2 358.450 0.892 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CC[NH2+]C3(C)C)ccn2)CC1 ZINC000581298190 491767702 /nfs/dbraw/zinc/76/77/02/491767702.db2.gz LYWDUJTUVFPNSQ-OAHLLOKOSA-N 2 2 360.462 0.731 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581536028 491776475 /nfs/dbraw/zinc/77/64/75/491776475.db2.gz YHWHJYPDKDLOIZ-UHFFFAOYSA-N 2 2 360.458 0.498 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000581715760 491783858 /nfs/dbraw/zinc/78/38/58/491783858.db2.gz UHUMYSLPGMVFHB-SPUZQDLCSA-N 2 2 362.474 0.896 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000581715760 491783860 /nfs/dbraw/zinc/78/38/60/491783860.db2.gz UHUMYSLPGMVFHB-SPUZQDLCSA-N 2 2 362.474 0.896 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000581751618 491785479 /nfs/dbraw/zinc/78/54/79/491785479.db2.gz IUUYWVSFSWOVKI-LZWOXQAQSA-N 2 2 374.489 0.356 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000581751618 491785480 /nfs/dbraw/zinc/78/54/80/491785480.db2.gz IUUYWVSFSWOVKI-LZWOXQAQSA-N 2 2 374.489 0.356 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591083094 491795877 /nfs/dbraw/zinc/79/58/77/491795877.db2.gz OCRCDMSIUTZZBU-AWEZNQCLSA-N 2 2 363.443 0.806 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591083094 491795878 /nfs/dbraw/zinc/79/58/78/491795878.db2.gz OCRCDMSIUTZZBU-AWEZNQCLSA-N 2 2 363.443 0.806 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000582122856 491799202 /nfs/dbraw/zinc/79/92/02/491799202.db2.gz ICDHVPIQEGKRSS-WBVHZDCISA-N 2 2 350.467 0.428 20 0 FCADLP Cn1c2ncn(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291790 491805795 /nfs/dbraw/zinc/80/57/95/491805795.db2.gz VMRYVWYORHWMCH-UONOGXRCSA-N 2 2 360.462 0.040 20 0 FCADLP Cn1c2ncn(CC[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291790 491805796 /nfs/dbraw/zinc/80/57/96/491805796.db2.gz VMRYVWYORHWMCH-UONOGXRCSA-N 2 2 360.462 0.040 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460718 491806418 /nfs/dbraw/zinc/80/64/18/491806418.db2.gz XJFODTQWNBOKTI-HKUYNNGSSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000591460718 491806420 /nfs/dbraw/zinc/80/64/20/491806420.db2.gz XJFODTQWNBOKTI-HKUYNNGSSA-N 2 2 360.502 0.812 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312366 491807022 /nfs/dbraw/zinc/80/70/22/491807022.db2.gz VXDFXUJQURXNDO-CHWSQXEVSA-N 2 2 373.482 0.199 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312366 491807023 /nfs/dbraw/zinc/80/70/23/491807023.db2.gz VXDFXUJQURXNDO-CHWSQXEVSA-N 2 2 373.482 0.199 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000582400178 491810859 /nfs/dbraw/zinc/81/08/59/491810859.db2.gz IOQFIBBQTZHSQT-CYBMUJFWSA-N 2 2 360.462 0.827 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000582476534 491814140 /nfs/dbraw/zinc/81/41/40/491814140.db2.gz HURRZWWKMSWPBH-GVDBMIGSSA-N 2 2 366.506 0.333 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000582727873 491824218 /nfs/dbraw/zinc/82/42/18/491824218.db2.gz QWQDAKIFMABMHT-XYJFISCASA-N 2 2 368.522 0.355 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC000582866370 491830119 /nfs/dbraw/zinc/83/01/19/491830119.db2.gz WUJCMDGUWZAJMC-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC000582866370 491830120 /nfs/dbraw/zinc/83/01/20/491830120.db2.gz WUJCMDGUWZAJMC-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)C1CC1 ZINC000582960859 491834085 /nfs/dbraw/zinc/83/40/85/491834085.db2.gz YHYHMASMXYEPJT-KRWDZBQOSA-N 2 2 353.488 0.771 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)C1CC1 ZINC000582960859 491834087 /nfs/dbraw/zinc/83/40/87/491834087.db2.gz YHYHMASMXYEPJT-KRWDZBQOSA-N 2 2 353.488 0.771 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964608 491834537 /nfs/dbraw/zinc/83/45/37/491834537.db2.gz FDMFYLJOKOHIMK-IAGOWNOFSA-N 2 2 371.485 0.904 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964608 491834538 /nfs/dbraw/zinc/83/45/38/491834538.db2.gz FDMFYLJOKOHIMK-IAGOWNOFSA-N 2 2 371.485 0.904 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262154 491841219 /nfs/dbraw/zinc/84/12/19/491841219.db2.gz UMRHEJGNBVJCBW-OXQOHEQNSA-N 2 2 359.470 0.919 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262154 491841220 /nfs/dbraw/zinc/84/12/20/491841220.db2.gz UMRHEJGNBVJCBW-OXQOHEQNSA-N 2 2 359.470 0.919 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000583270178 491841281 /nfs/dbraw/zinc/84/12/81/491841281.db2.gz AJWYUNYGGCENKO-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000583270178 491841282 /nfs/dbraw/zinc/84/12/82/491841282.db2.gz AJWYUNYGGCENKO-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000583294444 491841806 /nfs/dbraw/zinc/84/18/06/491841806.db2.gz IFDYOIZLSUOWON-GOEBONIOSA-N 2 2 365.478 0.008 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000583294444 491841807 /nfs/dbraw/zinc/84/18/07/491841807.db2.gz IFDYOIZLSUOWON-GOEBONIOSA-N 2 2 365.478 0.008 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000583320661 491842350 /nfs/dbraw/zinc/84/23/50/491842350.db2.gz HGLLMUDJXLJXIQ-OAHLLOKOSA-N 2 2 373.457 0.093 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCCC1 ZINC000583579653 491847904 /nfs/dbraw/zinc/84/79/04/491847904.db2.gz ZONJTSJIQVINQH-DOTOQJQBSA-N 2 2 360.458 0.909 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000583621595 491848721 /nfs/dbraw/zinc/84/87/21/491848721.db2.gz HENSPLJLSWIGCY-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000583621595 491848722 /nfs/dbraw/zinc/84/87/22/491848722.db2.gz HENSPLJLSWIGCY-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000583825915 491852767 /nfs/dbraw/zinc/85/27/67/491852767.db2.gz MCPWNGZAWSFYIB-QGZVFWFLSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138882 491859351 /nfs/dbraw/zinc/85/93/51/491859351.db2.gz IAKWKMYKTQYTEM-XJKSGUPXSA-N 2 2 359.474 0.777 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138882 491859352 /nfs/dbraw/zinc/85/93/52/491859352.db2.gz IAKWKMYKTQYTEM-XJKSGUPXSA-N 2 2 359.474 0.777 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584341256 491863358 /nfs/dbraw/zinc/86/33/58/491863358.db2.gz UCIRJCXEEYEPHJ-QAETUUGQSA-N 2 2 366.506 0.474 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)[nH+]c1 ZINC000594882555 491871019 /nfs/dbraw/zinc/87/10/19/491871019.db2.gz VSUBFYCMWZCRBM-HZPDHXFCSA-N 2 2 357.458 0.377 20 0 FCADLP O=C(CC[NH2+]C[C@@H]1CNc2ccnn2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000595153871 491890790 /nfs/dbraw/zinc/89/07/90/491890790.db2.gz PROCOACFWYWTOG-MRXNPFEDSA-N 2 2 369.473 0.648 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000600999943 491892401 /nfs/dbraw/zinc/89/24/01/491892401.db2.gz LOVYGJBXWGQTLQ-MRXNPFEDSA-N 2 2 359.474 0.884 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000600999943 491892402 /nfs/dbraw/zinc/89/24/02/491892402.db2.gz LOVYGJBXWGQTLQ-MRXNPFEDSA-N 2 2 359.474 0.884 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000601229901 491899856 /nfs/dbraw/zinc/89/98/56/491899856.db2.gz CUORQBFWBYUEGZ-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CCCC[C@@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)Cc1c[nH+]cn1C ZINC000612288574 491908540 /nfs/dbraw/zinc/90/85/40/491908540.db2.gz NANODCAZXAILJD-AWEZNQCLSA-N 2 2 360.462 0.730 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000612315122 491910378 /nfs/dbraw/zinc/91/03/78/491910378.db2.gz JIDJOIZTJIKACS-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000612315122 491910381 /nfs/dbraw/zinc/91/03/81/491910381.db2.gz JIDJOIZTJIKACS-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000613553304 491985799 /nfs/dbraw/zinc/98/57/99/491985799.db2.gz XZRGRTZKPBGYQS-RTBURBONSA-N 2 2 358.486 0.286 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000613553304 491985801 /nfs/dbraw/zinc/98/58/01/491985801.db2.gz XZRGRTZKPBGYQS-RTBURBONSA-N 3 2 358.486 0.286 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523080 491991178 /nfs/dbraw/zinc/99/11/78/491991178.db2.gz BXUORJGSLHKVKH-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523080 491991181 /nfs/dbraw/zinc/99/11/81/491991181.db2.gz BXUORJGSLHKVKH-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523080 491991183 /nfs/dbraw/zinc/99/11/83/491991183.db2.gz BXUORJGSLHKVKH-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523080 491991185 /nfs/dbraw/zinc/99/11/85/491991185.db2.gz BXUORJGSLHKVKH-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP COC(=O)c1cnc(C2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)s1 ZINC000602541747 491992727 /nfs/dbraw/zinc/99/27/27/491992727.db2.gz NOAGJKKLJYGZPS-GFCCVEGCSA-N 2 2 354.476 0.915 20 0 FCADLP O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000613996166 492009165 /nfs/dbraw/zinc/00/91/65/492009165.db2.gz QJWNSJIAKXOYFY-OALUTQOASA-N 2 2 370.497 0.417 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)=O ZINC000597225547 492023214 /nfs/dbraw/zinc/02/32/14/492023214.db2.gz FTHWKIZBUGAPPO-INIZCTEOSA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)=O ZINC000597225547 492023216 /nfs/dbraw/zinc/02/32/16/492023216.db2.gz FTHWKIZBUGAPPO-INIZCTEOSA-N 2 2 355.479 0.629 20 0 FCADLP CCC(=O)N1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209083 492054979 /nfs/dbraw/zinc/05/49/79/492054979.db2.gz LWLZAEJDNZQKIS-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP CCC(=O)N1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209083 492054981 /nfs/dbraw/zinc/05/49/81/492054981.db2.gz LWLZAEJDNZQKIS-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CNC(N)=O)C3)C2)CC1 ZINC000604209889 492055125 /nfs/dbraw/zinc/05/51/25/492055125.db2.gz ZBBIOXVCEXOTCW-HUUCEWRRSA-N 2 2 366.510 0.245 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CNC(N)=O)C3)C2)CC1 ZINC000604209889 492055126 /nfs/dbraw/zinc/05/51/26/492055126.db2.gz ZBBIOXVCEXOTCW-HUUCEWRRSA-N 2 2 366.510 0.245 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605558403 492098648 /nfs/dbraw/zinc/09/86/48/492098648.db2.gz WCCYCNQJWMEATP-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605558403 492098649 /nfs/dbraw/zinc/09/86/49/492098649.db2.gz WCCYCNQJWMEATP-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nc4ncccn4n3)CC2)CC1 ZINC000616381442 492128574 /nfs/dbraw/zinc/12/85/74/492128574.db2.gz QKVIVOVLUTYCON-UHFFFAOYSA-N 2 2 357.462 0.757 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nc4ncccn4n3)CC2)CC1 ZINC000616381442 492128576 /nfs/dbraw/zinc/12/85/76/492128576.db2.gz QKVIVOVLUTYCON-UHFFFAOYSA-N 2 2 357.462 0.757 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C[NH+]1CCN(C)CC1 ZINC000606999172 492135404 /nfs/dbraw/zinc/13/54/04/492135404.db2.gz KBELYDLATZMIEF-HNNXBMFYSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C[NH+]1CCN(C)CC1 ZINC000606999172 492135407 /nfs/dbraw/zinc/13/54/07/492135407.db2.gz KBELYDLATZMIEF-HNNXBMFYSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)CN1CC[NH+](C)CC1 ZINC000606999172 492135410 /nfs/dbraw/zinc/13/54/10/492135410.db2.gz KBELYDLATZMIEF-HNNXBMFYSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)CN1CC[NH+](C)CC1 ZINC000606999172 492135412 /nfs/dbraw/zinc/13/54/12/492135412.db2.gz KBELYDLATZMIEF-HNNXBMFYSA-N 2 2 373.501 0.570 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC000616784021 492143565 /nfs/dbraw/zinc/14/35/65/492143565.db2.gz RGVQKHHUCSMJCN-HOTGVXAUSA-N 2 2 358.446 0.940 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000608312891 492172370 /nfs/dbraw/zinc/17/23/70/492172370.db2.gz NXTQBSMFFUCTSS-HNNXBMFYSA-N 2 2 350.467 0.679 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000608312891 492172371 /nfs/dbraw/zinc/17/23/71/492172371.db2.gz NXTQBSMFFUCTSS-HNNXBMFYSA-N 2 2 350.467 0.679 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000608312827 492172498 /nfs/dbraw/zinc/17/24/98/492172498.db2.gz JGBULBUCRKJTFK-INIZCTEOSA-N 2 2 362.478 0.821 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000608312827 492172499 /nfs/dbraw/zinc/17/24/99/492172499.db2.gz JGBULBUCRKJTFK-INIZCTEOSA-N 2 2 362.478 0.821 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@@H+]1C ZINC000608649451 492184141 /nfs/dbraw/zinc/18/41/41/492184141.db2.gz BJCHTNOPAMSAGL-BFYDXBDKSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@H+]1C ZINC000608649451 492184143 /nfs/dbraw/zinc/18/41/43/492184143.db2.gz BJCHTNOPAMSAGL-BFYDXBDKSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)CO1 ZINC000617728692 492185196 /nfs/dbraw/zinc/18/51/96/492185196.db2.gz WYBHRSZDFICVNT-CHWSQXEVSA-N 2 2 360.462 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)CO1 ZINC000617728692 492185198 /nfs/dbraw/zinc/18/51/98/492185198.db2.gz WYBHRSZDFICVNT-CHWSQXEVSA-N 2 2 360.462 0.873 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000608691429 492187620 /nfs/dbraw/zinc/18/76/20/492187620.db2.gz SJLFZKPVZZLGMX-CVEARBPZSA-N 2 2 362.478 0.817 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000608691429 492187622 /nfs/dbraw/zinc/18/76/22/492187622.db2.gz SJLFZKPVZZLGMX-CVEARBPZSA-N 2 2 362.478 0.817 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000608693200 492188030 /nfs/dbraw/zinc/18/80/30/492188030.db2.gz QXZGSGIOMXOCFL-MRXNPFEDSA-N 2 2 367.538 0.912 20 0 FCADLP CCC(=O)N[C@H](CCSC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571772 492214104 /nfs/dbraw/zinc/21/41/04/492214104.db2.gz JCDNUWOUTLLUKA-GDBMZVCRSA-N 2 2 370.563 0.919 20 0 FCADLP CCC(=O)N[C@H](CCSC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571772 492214107 /nfs/dbraw/zinc/21/41/07/492214107.db2.gz JCDNUWOUTLLUKA-GDBMZVCRSA-N 2 2 370.563 0.919 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600013983 492230114 /nfs/dbraw/zinc/23/01/14/492230114.db2.gz CRYUJOMWAGTRIK-JKSUJKDBSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719010 492298690 /nfs/dbraw/zinc/29/86/90/492298690.db2.gz IWBKMKOXELCDNM-HOTGVXAUSA-N 2 2 364.494 0.478 20 0 FCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719010 492298691 /nfs/dbraw/zinc/29/86/91/492298691.db2.gz IWBKMKOXELCDNM-HOTGVXAUSA-N 2 2 364.494 0.478 20 0 FCADLP c1cn(-c2cc(N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)ncn2)c[nH+]1 ZINC000641718959 492298823 /nfs/dbraw/zinc/29/88/23/492298823.db2.gz GTVNSFSVJZJMNA-MRXNPFEDSA-N 2 2 357.462 0.871 20 0 FCADLP c1cn(-c2cc(N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)ncn2)c[nH+]1 ZINC000641718959 492298825 /nfs/dbraw/zinc/29/88/25/492298825.db2.gz GTVNSFSVJZJMNA-MRXNPFEDSA-N 2 2 357.462 0.871 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000627461545 492305430 /nfs/dbraw/zinc/30/54/30/492305430.db2.gz SPJHWFVJRSEFCC-BPQIPLTHSA-N 2 2 358.486 0.976 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000627461545 492305435 /nfs/dbraw/zinc/30/54/35/492305435.db2.gz SPJHWFVJRSEFCC-BPQIPLTHSA-N 2 2 358.486 0.976 20 0 FCADLP COCCCn1nccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787644 492305478 /nfs/dbraw/zinc/30/54/78/492305478.db2.gz XFNKAKFGHVINOW-GOSISDBHSA-N 2 2 365.522 0.806 20 0 FCADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C(C)(C)n1cncn1 ZINC000641786679 492305734 /nfs/dbraw/zinc/30/57/34/492305734.db2.gz QXMJELCFEPTAKT-IRXDYDNUSA-N 2 2 350.511 0.788 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568731 492317100 /nfs/dbraw/zinc/31/71/00/492317100.db2.gz SGJLXGZYDRAQFB-INIZCTEOSA-N 2 2 374.489 0.376 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568731 492317104 /nfs/dbraw/zinc/31/71/04/492317104.db2.gz SGJLXGZYDRAQFB-INIZCTEOSA-N 2 2 374.489 0.376 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000627484026 492317554 /nfs/dbraw/zinc/31/75/54/492317554.db2.gz POGCXMGDZQCCNW-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000627484026 492317557 /nfs/dbraw/zinc/31/75/57/492317557.db2.gz POGCXMGDZQCCNW-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841843 492318181 /nfs/dbraw/zinc/31/81/81/492318181.db2.gz YLMIFUFCRCGSSC-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841843 492318182 /nfs/dbraw/zinc/31/81/82/492318182.db2.gz YLMIFUFCRCGSSC-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841843 492318183 /nfs/dbraw/zinc/31/81/83/492318183.db2.gz YLMIFUFCRCGSSC-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841843 492318185 /nfs/dbraw/zinc/31/81/85/492318185.db2.gz YLMIFUFCRCGSSC-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841039 492318339 /nfs/dbraw/zinc/31/83/39/492318339.db2.gz JJYPJHDANTZYSU-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841039 492318341 /nfs/dbraw/zinc/31/83/41/492318341.db2.gz JJYPJHDANTZYSU-OAHLLOKOSA-N 2 2 350.467 0.348 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000634193675 492325269 /nfs/dbraw/zinc/32/52/69/492325269.db2.gz MORKFZJFIGKXPV-CQSZACIVSA-N 2 2 366.487 0.987 20 0 FCADLP Cn1nnc2c1C[C@H](C(=O)Nc1cc(N3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC000634194918 492326937 /nfs/dbraw/zinc/32/69/37/492326937.db2.gz XRYYLOBGHCJJAF-CYBMUJFWSA-N 2 2 355.446 0.706 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642079099 492331888 /nfs/dbraw/zinc/33/18/88/492331888.db2.gz OKECSPLPVDXAOV-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642079099 492331893 /nfs/dbraw/zinc/33/18/93/492331893.db2.gz OKECSPLPVDXAOV-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000642105150 492335199 /nfs/dbraw/zinc/33/51/99/492335199.db2.gz JIEKAKSYIFRGNY-BBRMVZONSA-N 2 2 357.414 0.063 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC000647690944 492345558 /nfs/dbraw/zinc/34/55/58/492345558.db2.gz YOZMKAIVPHJXBU-UKRRQHHQSA-N 2 2 350.463 0.126 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000642304555 492349552 /nfs/dbraw/zinc/34/95/52/492349552.db2.gz IUZNCIDWPQTWLZ-WBVHZDCISA-N 2 2 362.474 0.594 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000642304555 492349556 /nfs/dbraw/zinc/34/95/56/492349556.db2.gz IUZNCIDWPQTWLZ-WBVHZDCISA-N 2 2 362.474 0.594 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642381281 492356056 /nfs/dbraw/zinc/35/60/56/492356056.db2.gz ZTYUAGYYPDZNGS-CVEARBPZSA-N 2 2 355.442 0.884 20 0 FCADLP O=C1[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706590 492361294 /nfs/dbraw/zinc/36/12/94/492361294.db2.gz RUOSPQROWYBARI-TZIWHRDSSA-N 2 2 373.497 0.993 20 0 FCADLP O=C1[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706590 492361298 /nfs/dbraw/zinc/36/12/98/492361298.db2.gz RUOSPQROWYBARI-TZIWHRDSSA-N 2 2 373.497 0.993 20 0 FCADLP O=C1[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706587 492361357 /nfs/dbraw/zinc/36/13/57/492361357.db2.gz RUOSPQROWYBARI-CTNGQTDRSA-N 2 2 373.497 0.993 20 0 FCADLP O=C1[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706587 492361360 /nfs/dbraw/zinc/36/13/60/492361360.db2.gz RUOSPQROWYBARI-CTNGQTDRSA-N 2 2 373.497 0.993 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704511 492361532 /nfs/dbraw/zinc/36/15/32/492361532.db2.gz LPOLHABPPHHMOW-AZUAARDMSA-N 2 2 369.469 0.752 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704511 492361535 /nfs/dbraw/zinc/36/15/35/492361535.db2.gz LPOLHABPPHHMOW-AZUAARDMSA-N 2 2 369.469 0.752 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000647835855 492370336 /nfs/dbraw/zinc/37/03/36/492370336.db2.gz RWSNPQIPNVVCJE-UHFFFAOYSA-N 2 2 367.457 0.858 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000647835855 492370338 /nfs/dbraw/zinc/37/03/38/492370338.db2.gz RWSNPQIPNVVCJE-UHFFFAOYSA-N 2 2 367.457 0.858 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2ccc3nccnc3c2)CN1CC[NH+]1CCOCC1 ZINC000634962891 492375088 /nfs/dbraw/zinc/37/50/88/492375088.db2.gz DVHUUGDBTJPTLS-INIZCTEOSA-N 2 2 355.442 0.653 20 0 FCADLP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000642719114 492379521 /nfs/dbraw/zinc/37/95/21/492379521.db2.gz XBRDNQXIBDQODE-UHFFFAOYSA-N 2 2 359.430 0.969 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931240 492384500 /nfs/dbraw/zinc/38/45/00/492384500.db2.gz SYVBDCHOLVMFMX-NVXWUHKLSA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931240 492384504 /nfs/dbraw/zinc/38/45/04/492384504.db2.gz SYVBDCHOLVMFMX-NVXWUHKLSA-N 2 2 366.506 0.286 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000647955285 492387235 /nfs/dbraw/zinc/38/72/35/492387235.db2.gz LLILAVZPJIVRJM-LJQANCHMSA-N 2 2 362.518 0.622 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000647955285 492387238 /nfs/dbraw/zinc/38/72/38/492387238.db2.gz LLILAVZPJIVRJM-LJQANCHMSA-N 2 2 362.518 0.622 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000642788971 492392631 /nfs/dbraw/zinc/39/26/31/492392631.db2.gz JZIAYCUZADZHSE-GOSISDBHSA-N 2 2 374.485 0.646 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000642788971 492392633 /nfs/dbraw/zinc/39/26/33/492392633.db2.gz JZIAYCUZADZHSE-GOSISDBHSA-N 2 2 374.485 0.646 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000642789160 492392667 /nfs/dbraw/zinc/39/26/67/492392667.db2.gz TXRXLPXTGHCLBC-KMANFZQXSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000642789160 492392669 /nfs/dbraw/zinc/39/26/69/492392669.db2.gz TXRXLPXTGHCLBC-KMANFZQXSA-N 2 2 356.470 0.794 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]21 ZINC000642797558 492394762 /nfs/dbraw/zinc/39/47/62/492394762.db2.gz JJGVQMXHVXERML-FXUDXRNXSA-N 2 2 357.458 0.362 20 0 FCADLP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000642919955 492404038 /nfs/dbraw/zinc/40/40/38/492404038.db2.gz PLMBGEVVZDWRAF-UHFFFAOYSA-N 2 2 359.474 0.794 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919643 492404187 /nfs/dbraw/zinc/40/41/87/492404187.db2.gz CMGCDKSRBNFJSJ-ZDUSSCGKSA-N 2 2 350.488 0.822 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140916 492407007 /nfs/dbraw/zinc/40/70/07/492407007.db2.gz QHMREVPFYOAHRY-STQMWFEESA-N 2 2 357.451 0.452 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642980746 492410080 /nfs/dbraw/zinc/41/00/80/492410080.db2.gz LCVNTERFPKKJTG-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000643065155 492417478 /nfs/dbraw/zinc/41/74/78/492417478.db2.gz AZDZHZSHGPMCTQ-AWEZNQCLSA-N 2 2 359.430 0.967 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621839003 492422438 /nfs/dbraw/zinc/42/24/38/492422438.db2.gz MGSDEHOWKYITFV-LIRRHRJNSA-N 2 2 355.442 0.801 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)CC2)c1 ZINC000622025904 492442176 /nfs/dbraw/zinc/44/21/76/492442176.db2.gz YVXKPDYFFLFIER-GHTZIAJQSA-N 2 2 370.497 0.979 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622025895 492442196 /nfs/dbraw/zinc/44/21/96/492442196.db2.gz YTHYJCGJGUMZQG-GHTZIAJQSA-N 2 2 370.497 0.979 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655443769 492443190 /nfs/dbraw/zinc/44/31/90/492443190.db2.gz YLBCJBWWHLTOII-KDOFPFPSSA-N 2 2 355.446 0.402 20 0 FCADLP O=C(CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000655446600 492443255 /nfs/dbraw/zinc/44/32/55/492443255.db2.gz XQYXKOVICXIRPR-OXQOHEQNSA-N 2 2 371.485 0.626 20 0 FCADLP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000655447707 492444162 /nfs/dbraw/zinc/44/41/62/492444162.db2.gz CZYXTMJILMJMPF-CUWPLCDZSA-N 2 2 373.497 0.960 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000643397840 492448137 /nfs/dbraw/zinc/44/81/37/492448137.db2.gz UNHXTTKZXHMVST-AWEZNQCLSA-N 2 2 368.522 0.184 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000643397840 492448141 /nfs/dbraw/zinc/44/81/41/492448141.db2.gz UNHXTTKZXHMVST-AWEZNQCLSA-N 2 2 368.522 0.184 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000643397550 492448203 /nfs/dbraw/zinc/44/82/03/492448203.db2.gz ACCAKNOYNUZRDJ-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000643397550 492448204 /nfs/dbraw/zinc/44/82/04/492448204.db2.gz ACCAKNOYNUZRDJ-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397677 492448506 /nfs/dbraw/zinc/44/85/06/492448506.db2.gz IHZGSMIXMAVFTI-FUHWJXTLSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C3CC3)C3CCC3)C2)CC1 ZINC000643397677 492448508 /nfs/dbraw/zinc/44/85/08/492448508.db2.gz IHZGSMIXMAVFTI-FUHWJXTLSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000648726224 492448819 /nfs/dbraw/zinc/44/88/19/492448819.db2.gz CSNKARXYRPJQLU-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000648726224 492448820 /nfs/dbraw/zinc/44/88/20/492448820.db2.gz CSNKARXYRPJQLU-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000643399799 492448999 /nfs/dbraw/zinc/44/89/99/492448999.db2.gz RSHHVMANDXWOCZ-MRXNPFEDSA-N 2 2 357.458 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000643399799 492449004 /nfs/dbraw/zinc/44/90/04/492449004.db2.gz RSHHVMANDXWOCZ-MRXNPFEDSA-N 2 2 357.458 0.854 20 0 FCADLP CN1CCCC[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000635456220 492451481 /nfs/dbraw/zinc/45/14/81/492451481.db2.gz ARJLVUNPVQKBNG-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)CC1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CC1 ZINC000635501472 492460122 /nfs/dbraw/zinc/46/01/22/492460122.db2.gz YQUPJTQDRODFRS-UHFFFAOYSA-N 2 2 359.474 0.741 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc(C)[nH+]1 ZINC000643436205 492461605 /nfs/dbraw/zinc/46/16/05/492461605.db2.gz XOQAZCGGJPFUFD-GOSISDBHSA-N 2 2 373.501 0.553 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc(C)[nH+]1 ZINC000643436205 492461610 /nfs/dbraw/zinc/46/16/10/492461610.db2.gz XOQAZCGGJPFUFD-GOSISDBHSA-N 2 2 373.501 0.553 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000643440560 492462199 /nfs/dbraw/zinc/46/21/99/492462199.db2.gz ITRUIRDBVNKXSJ-OFLPRAFFSA-N 2 2 366.506 0.299 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628123109 492472684 /nfs/dbraw/zinc/47/26/84/492472684.db2.gz ANFJRVFRPKXJPK-SFHVURJKSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628123109 492472688 /nfs/dbraw/zinc/47/26/88/492472688.db2.gz ANFJRVFRPKXJPK-SFHVURJKSA-N 2 2 351.491 0.953 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643477095 492474226 /nfs/dbraw/zinc/47/42/26/492474226.db2.gz HIFSRYQRGJSCTN-MJGOQNOKSA-N 2 2 370.497 0.850 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)CC2)c1 ZINC000643477024 492474568 /nfs/dbraw/zinc/47/45/68/492474568.db2.gz SNGLLRZGSZAPHO-RBUKOAKNSA-N 2 2 370.497 0.850 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000643478331 492474582 /nfs/dbraw/zinc/47/45/82/492474582.db2.gz CMQGJCRZKSEDFB-QZTJIDSGSA-N 2 2 358.486 0.958 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000643478331 492474587 /nfs/dbraw/zinc/47/45/87/492474587.db2.gz CMQGJCRZKSEDFB-QZTJIDSGSA-N 2 2 358.486 0.958 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479655 492475035 /nfs/dbraw/zinc/47/50/35/492475035.db2.gz HSLCMMBSLJXRIB-HOTGVXAUSA-N 2 2 362.499 0.603 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC(C)(C)C ZINC000635574125 492475037 /nfs/dbraw/zinc/47/50/37/492475037.db2.gz BVEYTPIJXNWTNL-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC(C)(C)C ZINC000635574125 492475039 /nfs/dbraw/zinc/47/50/39/492475039.db2.gz BVEYTPIJXNWTNL-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000643503193 492483363 /nfs/dbraw/zinc/48/33/63/492483363.db2.gz VJQQRGYAPYJNSI-DZGCQCFKSA-N 2 2 364.446 0.240 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1C ZINC000643503110 492483879 /nfs/dbraw/zinc/48/38/79/492483879.db2.gz KIBKXKJZJZJDCK-GOEBONIOSA-N 2 2 360.458 0.876 20 0 FCADLP Cc1cn2ccc(C(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)cc2[nH+]1 ZINC000635655226 492486822 /nfs/dbraw/zinc/48/68/22/492486822.db2.gz LHJNKCVEAVTPIA-HNNXBMFYSA-N 2 2 364.471 0.834 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643516451 492487696 /nfs/dbraw/zinc/48/76/96/492487696.db2.gz CZHXNRULYKWDAE-SOLBZPMBSA-N 2 2 371.485 0.497 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000643519214 492489327 /nfs/dbraw/zinc/48/93/27/492489327.db2.gz HDEGNMIYZFYPES-QKPAOTATSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000643519214 492489328 /nfs/dbraw/zinc/48/93/28/492489328.db2.gz HDEGNMIYZFYPES-QKPAOTATSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC[C@@H]1[NH3+] ZINC000643532352 492491950 /nfs/dbraw/zinc/49/19/50/492491950.db2.gz IBGMJFWEZTYTCA-CABCVRRESA-N 2 2 360.462 0.019 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)c3ccncc3)CC2)CC1 ZINC000622903399 492494312 /nfs/dbraw/zinc/49/43/12/492494312.db2.gz ILDLKABOTSROTI-UHFFFAOYSA-N 2 2 359.474 0.486 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643541451 492494791 /nfs/dbraw/zinc/49/47/91/492494791.db2.gz MZCSZJGTRZPFMG-HOTGVXAUSA-N 2 2 357.458 0.249 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643541673 492495525 /nfs/dbraw/zinc/49/55/25/492495525.db2.gz XKYNTLLKEZYRQZ-BMFZPTHFSA-N 2 2 362.499 0.631 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562996 492499038 /nfs/dbraw/zinc/49/90/38/492499038.db2.gz HNODVSLTGUKJQW-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562996 492499042 /nfs/dbraw/zinc/49/90/42/492499042.db2.gz HNODVSLTGUKJQW-NZSAHSFTSA-N 2 2 370.497 0.787 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000635737130 492499499 /nfs/dbraw/zinc/49/94/99/492499499.db2.gz QWAGFIOKJBNMRJ-HOTGVXAUSA-N 2 2 359.536 0.828 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCS(=O)(=O)C1 ZINC000635737130 492499502 /nfs/dbraw/zinc/49/95/02/492499502.db2.gz QWAGFIOKJBNMRJ-HOTGVXAUSA-N 2 2 359.536 0.828 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nn1 ZINC000643640245 492512815 /nfs/dbraw/zinc/51/28/15/492512815.db2.gz HZBYRIZWQBJXOJ-BLLLJJGKSA-N 2 2 355.402 0.803 20 0 FCADLP [NH3+][C@H]1CCCCN(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1=O ZINC000649279679 492519246 /nfs/dbraw/zinc/51/92/46/492519246.db2.gz MCMJNNOABFQZPD-SFHVURJKSA-N 2 2 374.485 0.549 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)cc1 ZINC000635928939 492529884 /nfs/dbraw/zinc/52/98/84/492529884.db2.gz OWIHOFHCSSBPFE-JENIJYKNSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)cc1 ZINC000635928939 492529888 /nfs/dbraw/zinc/52/98/88/492529888.db2.gz OWIHOFHCSSBPFE-JENIJYKNSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC000635928939 492529892 /nfs/dbraw/zinc/52/98/92/492529892.db2.gz OWIHOFHCSSBPFE-JENIJYKNSA-N 2 2 359.470 0.937 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000635928939 492529895 /nfs/dbraw/zinc/52/98/95/492529895.db2.gz OWIHOFHCSSBPFE-JENIJYKNSA-N 2 2 359.470 0.937 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000649335660 492537574 /nfs/dbraw/zinc/53/75/74/492537574.db2.gz QJUBFYOGMWHESS-DLBZAZTESA-N 2 2 366.893 0.863 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000649335660 492537576 /nfs/dbraw/zinc/53/75/76/492537576.db2.gz QJUBFYOGMWHESS-DLBZAZTESA-N 2 2 366.893 0.863 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649409654 492551479 /nfs/dbraw/zinc/55/14/79/492551479.db2.gz KCCGXPVRIULRJL-UHFFFAOYSA-N 3 2 359.518 0.168 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649409654 492551482 /nfs/dbraw/zinc/55/14/82/492551482.db2.gz KCCGXPVRIULRJL-UHFFFAOYSA-N 3 2 359.518 0.168 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420432 492553319 /nfs/dbraw/zinc/55/33/19/492553319.db2.gz NDZSYZYPZCYNHK-LSDHHAIUSA-N 2 2 358.450 0.221 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420432 492553324 /nfs/dbraw/zinc/55/33/24/492553324.db2.gz NDZSYZYPZCYNHK-LSDHHAIUSA-N 2 2 358.450 0.221 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485741 492559425 /nfs/dbraw/zinc/55/94/25/492559425.db2.gz ZBBRHHVWLQAJDD-IRXDYDNUSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485741 492559429 /nfs/dbraw/zinc/55/94/29/492559429.db2.gz ZBBRHHVWLQAJDD-IRXDYDNUSA-N 2 2 366.506 0.014 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000623571095 492568431 /nfs/dbraw/zinc/56/84/31/492568431.db2.gz MHBXOCIAVAVZTF-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000623571095 492568435 /nfs/dbraw/zinc/56/84/35/492568435.db2.gz MHBXOCIAVAVZTF-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636252703 492570370 /nfs/dbraw/zinc/57/03/70/492570370.db2.gz DHXWRQLLGKRMTR-VQIMIIECSA-N 2 2 351.491 0.735 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636252703 492570372 /nfs/dbraw/zinc/57/03/72/492570372.db2.gz DHXWRQLLGKRMTR-VQIMIIECSA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636252703 492570376 /nfs/dbraw/zinc/57/03/76/492570376.db2.gz DHXWRQLLGKRMTR-VQIMIIECSA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636252703 492570378 /nfs/dbraw/zinc/57/03/78/492570378.db2.gz DHXWRQLLGKRMTR-VQIMIIECSA-N 2 2 351.491 0.735 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000636253522 492570552 /nfs/dbraw/zinc/57/05/52/492570552.db2.gz LZQVENCOEZJNQW-IBGZPJMESA-N 2 2 351.491 0.594 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000636253522 492570554 /nfs/dbraw/zinc/57/05/54/492570554.db2.gz LZQVENCOEZJNQW-IBGZPJMESA-N 2 2 351.491 0.594 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307018 492581249 /nfs/dbraw/zinc/58/12/49/492581249.db2.gz LYMRPGVHUHBMMT-LVQVYYBASA-N 2 2 368.522 0.447 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307018 492581251 /nfs/dbraw/zinc/58/12/51/492581251.db2.gz LYMRPGVHUHBMMT-LVQVYYBASA-N 2 2 368.522 0.447 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636316876 492581281 /nfs/dbraw/zinc/58/12/81/492581281.db2.gz ADCDPQUGSPTSCW-SFHVURJKSA-N 2 2 374.485 0.120 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636316876 492581284 /nfs/dbraw/zinc/58/12/84/492581284.db2.gz ADCDPQUGSPTSCW-SFHVURJKSA-N 2 2 374.485 0.120 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656324156 492592480 /nfs/dbraw/zinc/59/24/80/492592480.db2.gz MEAVMUZJCJNWSA-IXDOHACOSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656324156 492592485 /nfs/dbraw/zinc/59/24/85/492592485.db2.gz MEAVMUZJCJNWSA-IXDOHACOSA-N 2 2 371.485 0.910 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636469061 492595121 /nfs/dbraw/zinc/59/51/21/492595121.db2.gz ZUUUIULRLMNAJJ-IBGZPJMESA-N 2 2 368.522 0.774 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636469061 492595123 /nfs/dbraw/zinc/59/51/23/492595123.db2.gz ZUUUIULRLMNAJJ-IBGZPJMESA-N 2 2 368.522 0.774 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497900 492601028 /nfs/dbraw/zinc/60/10/28/492601028.db2.gz AXVDTPCSVVMUTP-MSOLQXFVSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497900 492601031 /nfs/dbraw/zinc/60/10/31/492601031.db2.gz AXVDTPCSVVMUTP-MSOLQXFVSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000649997661 492604101 /nfs/dbraw/zinc/60/41/01/492604101.db2.gz BFMIFWUGNAOBGK-QGZVFWFLSA-N 2 2 360.458 0.802 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000649997661 492604104 /nfs/dbraw/zinc/60/41/04/492604104.db2.gz BFMIFWUGNAOBGK-QGZVFWFLSA-N 2 2 360.458 0.802 20 0 FCADLP Nc1nc(N)[nH+]c(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000623911576 492605435 /nfs/dbraw/zinc/60/54/35/492605435.db2.gz GKIZHXQFCHYMGB-AWEZNQCLSA-N 2 2 369.477 0.130 20 0 FCADLP C[NH+]1CCC(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000643968787 492615956 /nfs/dbraw/zinc/61/59/56/492615956.db2.gz MNZLQFKFYXVFDA-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000636552693 492620172 /nfs/dbraw/zinc/62/01/72/492620172.db2.gz ZTNIMXMEFTWRTR-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000636552693 492620176 /nfs/dbraw/zinc/62/01/76/492620176.db2.gz ZTNIMXMEFTWRTR-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636557352 492621856 /nfs/dbraw/zinc/62/18/56/492621856.db2.gz RHYQGGJTALSCAL-APWZRJJASA-N 2 2 368.522 0.776 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636557352 492621857 /nfs/dbraw/zinc/62/18/57/492621857.db2.gz RHYQGGJTALSCAL-APWZRJJASA-N 2 2 368.522 0.776 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472539 492623867 /nfs/dbraw/zinc/62/38/67/492623867.db2.gz IYOQCYUASYYEQN-CHWSQXEVSA-N 2 2 360.399 0.434 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000629607451 492658599 /nfs/dbraw/zinc/65/85/99/492658599.db2.gz UJOPEGDXOKSEPJ-MRXNPFEDSA-N 2 2 350.463 0.178 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000650671507 492660102 /nfs/dbraw/zinc/66/01/02/492660102.db2.gz IKZCVBLLDXFKMF-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000650671507 492660106 /nfs/dbraw/zinc/66/01/06/492660106.db2.gz IKZCVBLLDXFKMF-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629652569 492661843 /nfs/dbraw/zinc/66/18/43/492661843.db2.gz HSSZRAHSNUOHJD-UHFFFAOYSA-N 2 2 360.340 0.914 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@H]2[NH3+])cn1 ZINC000644198083 492666585 /nfs/dbraw/zinc/66/65/85/492666585.db2.gz FAYUMOQTFZTONL-OWCLPIDISA-N 2 2 355.446 0.530 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@]3(O)CCCOC3)CC2)CC1 ZINC000650798856 492669032 /nfs/dbraw/zinc/66/90/32/492669032.db2.gz LIVBXHAGUAMUAX-LJQANCHMSA-N 2 2 368.522 0.776 20 0 FCADLP CCN1C[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877501 492679516 /nfs/dbraw/zinc/67/95/16/492679516.db2.gz XFXWSWISNUJBQY-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP CCN1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877501 492679523 /nfs/dbraw/zinc/67/95/23/492679523.db2.gz XFXWSWISNUJBQY-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000651064488 492702430 /nfs/dbraw/zinc/70/24/30/492702430.db2.gz VIHFTUMPQBMBQF-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000651062941 492702537 /nfs/dbraw/zinc/70/25/37/492702537.db2.gz OIPUIFUICLPSJJ-SFHVURJKSA-N 2 2 368.522 0.994 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000651062941 492702541 /nfs/dbraw/zinc/70/25/41/492702541.db2.gz OIPUIFUICLPSJJ-SFHVURJKSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@@H+]1C ZINC000636843760 492707379 /nfs/dbraw/zinc/70/73/79/492707379.db2.gz MIWGLSZTCRFHEX-IIDMSEBBSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@H+]1C ZINC000636843760 492707381 /nfs/dbraw/zinc/70/73/81/492707381.db2.gz MIWGLSZTCRFHEX-IIDMSEBBSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC[NH+]1C ZINC000636843760 492707388 /nfs/dbraw/zinc/70/73/88/492707388.db2.gz MIWGLSZTCRFHEX-IIDMSEBBSA-N 2 2 354.495 0.384 20 0 FCADLP C[N@H+](CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000629954923 492708324 /nfs/dbraw/zinc/70/83/24/492708324.db2.gz UXJWYEYBKZJJBY-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP C[N@@H+](CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000629954923 492708330 /nfs/dbraw/zinc/70/83/30/492708330.db2.gz UXJWYEYBKZJJBY-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP COC1(CS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000657071713 492709074 /nfs/dbraw/zinc/70/90/74/492709074.db2.gz SPBVWKKMQLFHHU-HNNXBMFYSA-N 2 2 365.540 0.373 20 0 FCADLP COC1(CS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000657071713 492709076 /nfs/dbraw/zinc/70/90/76/492709076.db2.gz SPBVWKKMQLFHHU-HNNXBMFYSA-N 2 2 365.540 0.373 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000651221966 492724400 /nfs/dbraw/zinc/72/44/00/492724400.db2.gz HXULXFBMMIFPHL-CVEARBPZSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000651221966 492724403 /nfs/dbraw/zinc/72/44/03/492724403.db2.gz HXULXFBMMIFPHL-CVEARBPZSA-N 2 2 359.536 0.686 20 0 FCADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCCN(C)C1=O ZINC000636987602 492743645 /nfs/dbraw/zinc/74/36/45/492743645.db2.gz PICXEUJXZCHGSJ-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NCC[NH+]2CCOCC2)C1 ZINC000630396545 492745404 /nfs/dbraw/zinc/74/54/04/492745404.db2.gz FKZHUNPNLRAXBK-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NCC[NH+]2CCOCC2)C1 ZINC000630396545 492745408 /nfs/dbraw/zinc/74/54/08/492745408.db2.gz FKZHUNPNLRAXBK-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657364488 492749943 /nfs/dbraw/zinc/74/99/43/492749943.db2.gz WLTZYBVCRACIDX-CYBMUJFWSA-N 2 2 361.412 0.935 20 0 FCADLP CC(C)CN(CCn1cc(CN2CC[NH+](C)CC2)nn1)CC[NH+](C)C ZINC000630610621 492755660 /nfs/dbraw/zinc/75/56/60/492755660.db2.gz OCJHNQSFGMRULW-UHFFFAOYSA-N 2 2 351.543 0.545 20 0 FCADLP CN(C(=O)NCC[C@]1(O)CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651444393 492758819 /nfs/dbraw/zinc/75/88/19/492758819.db2.gz HLTXDPCWSBPXHF-IEBWSBKVSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C(=O)NCC[C@]1(O)CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651444393 492758824 /nfs/dbraw/zinc/75/88/24/492758824.db2.gz HLTXDPCWSBPXHF-IEBWSBKVSA-N 2 2 368.522 0.728 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2[nH+]1 ZINC000657659324 492773575 /nfs/dbraw/zinc/77/35/75/492773575.db2.gz FJDKWYPOHUVMBD-MRXNPFEDSA-N 2 2 373.457 0.934 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2[nH+]1 ZINC000657659324 492773580 /nfs/dbraw/zinc/77/35/80/492773580.db2.gz FJDKWYPOHUVMBD-MRXNPFEDSA-N 2 2 373.457 0.934 20 0 FCADLP O=C(CN1CCc2[nH+]c[nH]c2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000625437132 492782856 /nfs/dbraw/zinc/78/28/56/492782856.db2.gz BROLMQPJIAEXDQ-UHFFFAOYSA-N 2 2 361.490 0.919 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570482 492785638 /nfs/dbraw/zinc/78/56/38/492785638.db2.gz MHLXNOHPUWQYQB-ZWKOTPCHSA-N 2 2 357.458 0.608 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570482 492785643 /nfs/dbraw/zinc/78/56/43/492785643.db2.gz MHLXNOHPUWQYQB-ZWKOTPCHSA-N 2 2 357.458 0.608 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657738158 492786270 /nfs/dbraw/zinc/78/62/70/492786270.db2.gz HOHQHSMRJJCCRN-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741191 492786527 /nfs/dbraw/zinc/78/65/27/492786527.db2.gz FIIQNUVYISWAKP-MRXNPFEDSA-N 2 2 363.462 0.055 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000644582002 492787441 /nfs/dbraw/zinc/78/74/41/492787441.db2.gz QHOOIJCNSBZIHN-OALUTQOASA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000644582002 492787444 /nfs/dbraw/zinc/78/74/44/492787444.db2.gz QHOOIJCNSBZIHN-OALUTQOASA-N 2 2 361.486 0.849 20 0 FCADLP Cc1conc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000630941730 492787777 /nfs/dbraw/zinc/78/77/77/492787777.db2.gz DRBMALPOOYDMIB-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657744393 492788475 /nfs/dbraw/zinc/78/84/75/492788475.db2.gz IRWDWSUDUWKWPW-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657745186 492788901 /nfs/dbraw/zinc/78/89/01/492788901.db2.gz OYXTXMLTUZDLRN-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1)c1ccccc1 ZINC000625475094 492791686 /nfs/dbraw/zinc/79/16/86/492791686.db2.gz UFDADEBYDMYQBX-LJQANCHMSA-N 2 2 370.501 0.946 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCN(Cc2cn[nH]c2)CC1)c1ccccc1 ZINC000625475094 492791690 /nfs/dbraw/zinc/79/16/90/492791690.db2.gz UFDADEBYDMYQBX-LJQANCHMSA-N 2 2 370.501 0.946 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)C[C@@H](C)O1 ZINC000644640985 492795190 /nfs/dbraw/zinc/79/51/90/492795190.db2.gz MHAHJFXLSILFJU-INMHGKMJSA-N 2 2 360.462 0.265 20 0 FCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631099774 492797361 /nfs/dbraw/zinc/79/73/61/492797361.db2.gz LDGXKQYVNDFXHR-LJQANCHMSA-N 3 2 351.491 0.800 20 0 FCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000631099774 492797365 /nfs/dbraw/zinc/79/73/65/492797365.db2.gz LDGXKQYVNDFXHR-LJQANCHMSA-N 2 2 351.491 0.800 20 0 FCADLP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247576 492806095 /nfs/dbraw/zinc/80/60/95/492806095.db2.gz YYFDOCHKBQEDHN-GOSISDBHSA-N 3 2 362.522 0.685 20 0 FCADLP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247576 492806099 /nfs/dbraw/zinc/80/60/99/492806099.db2.gz YYFDOCHKBQEDHN-GOSISDBHSA-N 3 2 362.522 0.685 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637373484 492813775 /nfs/dbraw/zinc/81/37/75/492813775.db2.gz QKHDBEFUNGMRLT-INIZCTEOSA-N 2 2 374.489 0.561 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637373484 492813779 /nfs/dbraw/zinc/81/37/79/492813779.db2.gz QKHDBEFUNGMRLT-INIZCTEOSA-N 2 2 374.489 0.561 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000657975522 492824126 /nfs/dbraw/zinc/82/41/26/492824126.db2.gz VCGRJIPBXQHKEA-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000657975522 492824134 /nfs/dbraw/zinc/82/41/34/492824134.db2.gz VCGRJIPBXQHKEA-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000631642948 492828333 /nfs/dbraw/zinc/82/83/33/492828333.db2.gz AVDURNYNJNEJOQ-UHFFFAOYSA-N 2 2 367.519 0.171 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000631696968 492837158 /nfs/dbraw/zinc/83/71/58/492837158.db2.gz UQHJXZRMIRDVAN-UHFFFAOYSA-N 2 2 354.476 0.432 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000631700653 492837357 /nfs/dbraw/zinc/83/73/57/492837357.db2.gz RELVQRJTSLZZKZ-QGZVFWFLSA-N 2 2 367.515 0.901 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000631700653 492837358 /nfs/dbraw/zinc/83/73/58/492837358.db2.gz RELVQRJTSLZZKZ-QGZVFWFLSA-N 2 2 367.515 0.901 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000631719074 492839838 /nfs/dbraw/zinc/83/98/38/492839838.db2.gz SYSJHLOEWSXMLR-UHFFFAOYSA-N 2 2 358.552 0.514 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000631800427 492855074 /nfs/dbraw/zinc/85/50/74/492855074.db2.gz FKDQLNSYGZLDIR-KRWDZBQOSA-N 2 2 365.478 0.008 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846386 492861122 /nfs/dbraw/zinc/86/11/22/492861122.db2.gz YGWNPGUSUUSSAO-HOTGVXAUSA-N 2 2 356.430 0.104 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846386 492861127 /nfs/dbraw/zinc/86/11/27/492861127.db2.gz YGWNPGUSUUSSAO-HOTGVXAUSA-N 2 2 356.430 0.104 20 0 FCADLP O=C(CC[NH+]1CCC([NH2+]CCO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000631864204 492865614 /nfs/dbraw/zinc/86/56/14/492865614.db2.gz JMRBTCCSBZTDGA-UHFFFAOYSA-N 3 2 361.490 0.167 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)CO1 ZINC000658419710 492878834 /nfs/dbraw/zinc/87/88/34/492878834.db2.gz IULNANBFSFROMO-UONOGXRCSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)CO1 ZINC000658419710 492878836 /nfs/dbraw/zinc/87/88/36/492878836.db2.gz IULNANBFSFROMO-UONOGXRCSA-N 2 2 372.429 0.431 20 0 FCADLP CCN(CC)c1ccc(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)c[nH+]1 ZINC000631912797 492879169 /nfs/dbraw/zinc/87/91/69/492879169.db2.gz WLGZQUIGOOTCOW-UHFFFAOYSA-N 2 2 355.508 0.946 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cn2cc[nH+]c12 ZINC000658423361 492882192 /nfs/dbraw/zinc/88/21/92/492882192.db2.gz MUMHLTCLAMKCGK-KGLIPLIRSA-N 2 2 359.430 0.807 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cn2cc[nH+]c12 ZINC000658423361 492882195 /nfs/dbraw/zinc/88/21/95/492882195.db2.gz MUMHLTCLAMKCGK-KGLIPLIRSA-N 2 2 359.430 0.807 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000652137732 492884870 /nfs/dbraw/zinc/88/48/70/492884870.db2.gz UOTUYRAGZIFJDE-RYQLBKOJSA-N 2 2 368.547 0.965 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N(C)CC3C[NH+](C)C3)CC2)c1 ZINC000658431286 492887862 /nfs/dbraw/zinc/88/78/62/492887862.db2.gz UXLWNWWIMRCFFL-UHFFFAOYSA-N 2 2 358.486 0.659 20 0 FCADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638063412 492898667 /nfs/dbraw/zinc/89/86/67/492898667.db2.gz MOEHWMOOPREYRA-INIZCTEOSA-N 2 2 358.486 0.896 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638069151 492899653 /nfs/dbraw/zinc/89/96/53/492899653.db2.gz HZPOAEUINRCXIB-OAHLLOKOSA-N 2 2 372.391 0.986 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638099757 492904863 /nfs/dbraw/zinc/90/48/63/492904863.db2.gz USWCNHIPRNFSBB-LLVKDONJSA-N 2 2 372.420 0.591 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638099757 492904866 /nfs/dbraw/zinc/90/48/66/492904866.db2.gz USWCNHIPRNFSBB-LLVKDONJSA-N 2 2 372.420 0.591 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638099758 492904894 /nfs/dbraw/zinc/90/48/94/492904894.db2.gz USWCNHIPRNFSBB-NSHDSACASA-N 2 2 372.420 0.591 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638099758 492904895 /nfs/dbraw/zinc/90/48/95/492904895.db2.gz USWCNHIPRNFSBB-NSHDSACASA-N 2 2 372.420 0.591 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136763 492916194 /nfs/dbraw/zinc/91/61/94/492916194.db2.gz AUJJSBTXRHKPRC-MAUKXSAKSA-N 2 2 366.531 0.792 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136763 492916198 /nfs/dbraw/zinc/91/61/98/492916198.db2.gz AUJJSBTXRHKPRC-MAUKXSAKSA-N 2 2 366.531 0.792 20 0 FCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658520870 492924748 /nfs/dbraw/zinc/92/47/48/492924748.db2.gz AARHMEXEZJVHLU-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658520870 492924751 /nfs/dbraw/zinc/92/47/51/492924751.db2.gz AARHMEXEZJVHLU-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000652453619 492936457 /nfs/dbraw/zinc/93/64/57/492936457.db2.gz ZLNWYFNYUNQUGL-CALCHBBNSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000652453619 492936462 /nfs/dbraw/zinc/93/64/62/492936462.db2.gz ZLNWYFNYUNQUGL-CALCHBBNSA-N 2 2 368.522 0.498 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638396458 492943440 /nfs/dbraw/zinc/94/34/40/492943440.db2.gz KMGXOUXVMADMFP-KRWDZBQOSA-N 2 2 351.447 0.502 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638523254 492958480 /nfs/dbraw/zinc/95/84/80/492958480.db2.gz DMXSUTXVSSDLOR-UHFFFAOYSA-N 2 2 368.503 0.366 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645692145 492961016 /nfs/dbraw/zinc/96/10/16/492961016.db2.gz ODLHXWYKTWEYPF-LZLYRXPVSA-N 2 2 353.532 0.946 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626332312 492963973 /nfs/dbraw/zinc/96/39/73/492963973.db2.gz NKAAJSHHMQHFGN-SDADXPQNSA-N 2 2 363.462 0.260 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626332312 492963976 /nfs/dbraw/zinc/96/39/76/492963976.db2.gz NKAAJSHHMQHFGN-SDADXPQNSA-N 2 2 363.462 0.260 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000652612255 492971132 /nfs/dbraw/zinc/97/11/32/492971132.db2.gz NBXWENJQURLLTA-GFCCVEGCSA-N 2 2 356.389 0.256 20 0 FCADLP CN(CCOCC[NH3+])C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000638674016 492971657 /nfs/dbraw/zinc/97/16/57/492971657.db2.gz BTWRRUOUOHRHCP-UHFFFAOYSA-N 2 2 357.476 0.069 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652627096 492972778 /nfs/dbraw/zinc/97/27/78/492972778.db2.gz RDSHNBQEKJZNCW-ZENOOKHLSA-N 2 2 362.430 0.774 20 0 FCADLP [NH3+]CCOCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000645861603 492984603 /nfs/dbraw/zinc/98/46/03/492984603.db2.gz WPLUWRSLCVQMBY-UHFFFAOYSA-N 2 2 351.838 0.607 20 0 FCADLP O=C1NC(=O)N2CC[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@@H]12 ZINC000638914181 492987205 /nfs/dbraw/zinc/98/72/05/492987205.db2.gz OHPBUFFODXPJNY-KRWDZBQOSA-N 2 2 374.441 0.134 20 0 FCADLP O=C1NC(=O)N2CC[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@@H]12 ZINC000638914181 492987209 /nfs/dbraw/zinc/98/72/09/492987209.db2.gz OHPBUFFODXPJNY-KRWDZBQOSA-N 2 2 374.441 0.134 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCO2)CC1 ZINC000645941045 492990605 /nfs/dbraw/zinc/99/06/05/492990605.db2.gz FGZURZGJJYZYJH-FDIDQYAWSA-N 2 2 364.534 0.615 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658652841 492992281 /nfs/dbraw/zinc/99/22/81/492992281.db2.gz SIYVLNKUKCWJBY-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658652841 492992287 /nfs/dbraw/zinc/99/22/87/492992287.db2.gz SIYVLNKUKCWJBY-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000645955978 492992484 /nfs/dbraw/zinc/99/24/84/492992484.db2.gz QUKAAUSIDIUTRK-AEFFLSMTSA-N 2 2 374.485 0.386 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000652696208 492992857 /nfs/dbraw/zinc/99/28/57/492992857.db2.gz IHRXLIISBGUIHO-ZWKOTPCHSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](Cc2ccccc2)C1 ZINC000652696208 492992859 /nfs/dbraw/zinc/99/28/59/492992859.db2.gz IHRXLIISBGUIHO-ZWKOTPCHSA-N 2 2 358.486 0.630 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652698723 492993901 /nfs/dbraw/zinc/99/39/01/492993901.db2.gz JCBMHSDYSOFBLO-QZTJIDSGSA-N 2 2 360.502 0.861 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652698723 492993906 /nfs/dbraw/zinc/99/39/06/492993906.db2.gz JCBMHSDYSOFBLO-QZTJIDSGSA-N 2 2 360.502 0.861 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](Cc2ccccc2)C1 ZINC000652703366 492995471 /nfs/dbraw/zinc/99/54/71/492995471.db2.gz QFZGVBZTFDSIQW-CQSZACIVSA-N 2 2 354.401 0.082 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@H](Cc2ccccc2)C1 ZINC000652703366 492995472 /nfs/dbraw/zinc/99/54/72/492995472.db2.gz QFZGVBZTFDSIQW-CQSZACIVSA-N 2 2 354.401 0.082 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H](CO)O1 ZINC000639092797 492996095 /nfs/dbraw/zinc/99/60/95/492996095.db2.gz CIBYMHINQDJDIA-APWZRJJASA-N 2 2 350.459 0.979 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H](CO)O1 ZINC000639092797 492996097 /nfs/dbraw/zinc/99/60/97/492996097.db2.gz CIBYMHINQDJDIA-APWZRJJASA-N 2 2 350.459 0.979 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](CO)O1 ZINC000639092800 492997081 /nfs/dbraw/zinc/99/70/81/492997081.db2.gz CIBYMHINQDJDIA-VQIMIIECSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](CO)O1 ZINC000639092800 492997086 /nfs/dbraw/zinc/99/70/86/492997086.db2.gz CIBYMHINQDJDIA-VQIMIIECSA-N 2 2 350.459 0.979 20 0 FCADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cnc(N)nc1N ZINC000639173861 493000710 /nfs/dbraw/zinc/00/07/10/493000710.db2.gz SXHKMKBSSMWOQU-UHFFFAOYSA-N 2 2 355.490 0.551 20 0 FCADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cnc(N)nc1N ZINC000639173861 493000712 /nfs/dbraw/zinc/00/07/12/493000712.db2.gz SXHKMKBSSMWOQU-UHFFFAOYSA-N 2 2 355.490 0.551 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736844 493012937 /nfs/dbraw/zinc/01/29/37/493012937.db2.gz QYTQMFWGWFMETG-MSOLQXFVSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736844 493012942 /nfs/dbraw/zinc/01/29/42/493012942.db2.gz QYTQMFWGWFMETG-MSOLQXFVSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736845 493013451 /nfs/dbraw/zinc/01/34/51/493013451.db2.gz QYTQMFWGWFMETG-QZTJIDSGSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736845 493013455 /nfs/dbraw/zinc/01/34/55/493013455.db2.gz QYTQMFWGWFMETG-QZTJIDSGSA-N 2 2 358.486 0.582 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509537 493015099 /nfs/dbraw/zinc/01/50/99/493015099.db2.gz FMTJTLCVLSUSMY-GOEBONIOSA-N 2 2 374.551 0.331 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509537 493015103 /nfs/dbraw/zinc/01/51/03/493015103.db2.gz FMTJTLCVLSUSMY-GOEBONIOSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509537 493015105 /nfs/dbraw/zinc/01/51/05/493015105.db2.gz FMTJTLCVLSUSMY-GOEBONIOSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509537 493015109 /nfs/dbraw/zinc/01/51/09/493015109.db2.gz FMTJTLCVLSUSMY-GOEBONIOSA-N 2 2 374.551 0.331 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559145 493019965 /nfs/dbraw/zinc/01/99/65/493019965.db2.gz OFUKCWAMDVGJQF-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639559145 493019970 /nfs/dbraw/zinc/01/99/70/493019970.db2.gz OFUKCWAMDVGJQF-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639559145 493019972 /nfs/dbraw/zinc/01/99/72/493019972.db2.gz OFUKCWAMDVGJQF-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CCNS(=O)(=O)[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639559145 493019978 /nfs/dbraw/zinc/01/99/78/493019978.db2.gz OFUKCWAMDVGJQF-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP NS(=O)(=O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639551156 493020084 /nfs/dbraw/zinc/02/00/84/493020084.db2.gz JCMQHARXHXBAAG-KRWDZBQOSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639551156 493020087 /nfs/dbraw/zinc/02/00/87/493020087.db2.gz JCMQHARXHXBAAG-KRWDZBQOSA-N 2 2 353.488 0.376 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639850023 493055873 /nfs/dbraw/zinc/05/58/73/493055873.db2.gz AMSIWQFYOZPJIO-ICSRJNTNSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639850023 493055877 /nfs/dbraw/zinc/05/58/77/493055877.db2.gz AMSIWQFYOZPJIO-ICSRJNTNSA-N 2 2 361.486 0.457 20 0 FCADLP [NH3+]CCOCC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000646540514 493057008 /nfs/dbraw/zinc/05/70/08/493057008.db2.gz POUQJMRLMJSDIH-SFHVURJKSA-N 2 2 374.485 0.297 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855614 493058053 /nfs/dbraw/zinc/05/80/53/493058053.db2.gz VTEBKQYTAAEYPP-RDJZCZTQSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855614 493058055 /nfs/dbraw/zinc/05/80/55/493058055.db2.gz VTEBKQYTAAEYPP-RDJZCZTQSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855615 493058072 /nfs/dbraw/zinc/05/80/72/493058072.db2.gz VTEBKQYTAAEYPP-WBVHZDCISA-N 2 2 353.488 0.210 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855615 493058074 /nfs/dbraw/zinc/05/80/74/493058074.db2.gz VTEBKQYTAAEYPP-WBVHZDCISA-N 2 2 353.488 0.210 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658800976 493058786 /nfs/dbraw/zinc/05/87/86/493058786.db2.gz DIDOESZVLBNDKM-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658800976 493058790 /nfs/dbraw/zinc/05/87/90/493058790.db2.gz DIDOESZVLBNDKM-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658800976 493058792 /nfs/dbraw/zinc/05/87/92/493058792.db2.gz DIDOESZVLBNDKM-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658800976 493058795 /nfs/dbraw/zinc/05/87/95/493058795.db2.gz DIDOESZVLBNDKM-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000653064280 493065343 /nfs/dbraw/zinc/06/53/43/493065343.db2.gz NGYOPWOQPYMXBR-CYBMUJFWSA-N 2 2 353.467 0.026 20 0 FCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000653069073 493066223 /nfs/dbraw/zinc/06/62/23/493066223.db2.gz BAHNGFVKZZMNKD-GUYCJALGSA-N 2 2 362.474 0.800 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000653079533 493067840 /nfs/dbraw/zinc/06/78/40/493067840.db2.gz CMUFYAMKTJAPDC-SFHVURJKSA-N 2 2 360.502 0.959 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000653081855 493067932 /nfs/dbraw/zinc/06/79/32/493067932.db2.gz AVMLNQKHDKJAJL-CABCVRRESA-N 2 2 351.426 0.827 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000653079243 493067953 /nfs/dbraw/zinc/06/79/53/493067953.db2.gz XVCNMGYDXWIHKO-GXTWGEPZSA-N 2 2 363.380 0.840 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000653079244 493068152 /nfs/dbraw/zinc/06/81/52/493068152.db2.gz XVCNMGYDXWIHKO-JSGCOSHPSA-N 2 2 363.380 0.840 20 0 FCADLP CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653090593 493069839 /nfs/dbraw/zinc/06/98/39/493069839.db2.gz USALKJHRKOUWBV-AWEZNQCLSA-N 2 2 354.476 0.105 20 0 FCADLP COc1ccc(OC)c(CN2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653105471 493070678 /nfs/dbraw/zinc/07/06/78/493070678.db2.gz XEAMBJKHJSOCTL-QGZVFWFLSA-N 2 2 364.490 0.627 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000653104998 493070877 /nfs/dbraw/zinc/07/08/77/493070877.db2.gz AJJXQOZPZBVJBU-IRXDYDNUSA-N 2 2 352.454 0.594 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626971963 493071937 /nfs/dbraw/zinc/07/19/37/493071937.db2.gz CUNBMSXETSKIQY-HZSPNIEDSA-N 2 2 365.444 0.791 20 0 FCADLP CN(C(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1)C1CCCCC1 ZINC000653116494 493072754 /nfs/dbraw/zinc/07/27/54/493072754.db2.gz JCRFJHPAIKQACP-KRWDZBQOSA-N 2 2 367.538 0.201 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC000632720789 493076515 /nfs/dbraw/zinc/07/65/15/493076515.db2.gz MIYAAONOUKYBGQ-UHFFFAOYSA-N 2 2 353.488 0.934 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000653155325 493078992 /nfs/dbraw/zinc/07/89/92/493078992.db2.gz PLJGAHGTWAFGBJ-KBPBESRZSA-N 2 2 356.829 0.980 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000653154738 493079468 /nfs/dbraw/zinc/07/94/68/493079468.db2.gz ZSFBEQNDQVSAGF-HZPDHXFCSA-N 2 2 368.428 0.851 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COCc1ccccc1F ZINC000640049255 493079614 /nfs/dbraw/zinc/07/96/14/493079614.db2.gz KUDUETDITGLEAW-INIZCTEOSA-N 2 2 353.438 0.409 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COCc1ccccc1F ZINC000640049255 493079616 /nfs/dbraw/zinc/07/96/16/493079616.db2.gz KUDUETDITGLEAW-INIZCTEOSA-N 2 2 353.438 0.409 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653184652 493082203 /nfs/dbraw/zinc/08/22/03/493082203.db2.gz RQLUECIQWQEBOP-XHSDSOJGSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653184652 493082205 /nfs/dbraw/zinc/08/22/05/493082205.db2.gz RQLUECIQWQEBOP-XHSDSOJGSA-N 2 2 354.495 0.188 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCOCCOC)CC2)C1(C)C ZINC000653276187 493088411 /nfs/dbraw/zinc/08/84/11/493088411.db2.gz XKUCHZSVLVQJAN-QAPCUYQASA-N 2 2 357.495 0.326 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653376027 493106668 /nfs/dbraw/zinc/10/66/68/493106668.db2.gz SOFGWKLLJHPCTO-AEFFLSMTSA-N 2 2 369.469 0.773 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653376030 493106745 /nfs/dbraw/zinc/10/67/45/493106745.db2.gz SOFGWKLLJHPCTO-WMZOPIPTSA-N 2 2 369.469 0.773 20 0 FCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633037568 493108964 /nfs/dbraw/zinc/10/89/64/493108964.db2.gz REHIVBXAFYWEHN-KRWDZBQOSA-N 2 2 362.478 0.067 20 0 FCADLP CC[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633037568 493108968 /nfs/dbraw/zinc/10/89/68/493108968.db2.gz REHIVBXAFYWEHN-KRWDZBQOSA-N 2 2 362.478 0.067 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530340 493113048 /nfs/dbraw/zinc/11/30/48/493113048.db2.gz CKJDCMRBXFDHRQ-HOTGVXAUSA-N 2 2 359.536 0.876 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530340 493113053 /nfs/dbraw/zinc/11/30/53/493113053.db2.gz CKJDCMRBXFDHRQ-HOTGVXAUSA-N 2 2 359.536 0.876 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)NCc1ccc[nH+]c1N1CCCC1 ZINC000627233926 493113746 /nfs/dbraw/zinc/11/37/46/493113746.db2.gz FTVRILDLVWVORR-INIZCTEOSA-N 2 2 370.461 0.807 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000627235163 493114336 /nfs/dbraw/zinc/11/43/36/493114336.db2.gz ULGKIARBUQEXPG-INIZCTEOSA-N 2 2 370.461 0.548 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653391153 493115089 /nfs/dbraw/zinc/11/50/89/493115089.db2.gz WNHSMBNMDWULKN-MRXNPFEDSA-N 2 2 355.442 0.422 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653391153 493115091 /nfs/dbraw/zinc/11/50/91/493115091.db2.gz WNHSMBNMDWULKN-MRXNPFEDSA-N 2 2 355.442 0.422 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259662 493121879 /nfs/dbraw/zinc/12/18/79/493121879.db2.gz XHBHHQHJWCPJRE-VQTJNVASSA-N 2 2 372.513 0.715 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000627259662 493121881 /nfs/dbraw/zinc/12/18/81/493121881.db2.gz XHBHHQHJWCPJRE-VQTJNVASSA-N 2 2 372.513 0.715 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633096862 493123345 /nfs/dbraw/zinc/12/33/45/493123345.db2.gz APGITGLSXZSFME-JYJNAYRXSA-N 2 2 367.453 0.908 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633115292 493131911 /nfs/dbraw/zinc/13/19/11/493131911.db2.gz JAIATIUZVIRXKQ-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000646972393 493136682 /nfs/dbraw/zinc/13/66/82/493136682.db2.gz VKSAANOCRSMAPA-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646972393 493136685 /nfs/dbraw/zinc/13/66/85/493136685.db2.gz VKSAANOCRSMAPA-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H]([NH3+])c1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000640875669 493144626 /nfs/dbraw/zinc/14/46/26/493144626.db2.gz VVMRYQJVPWGRGE-KRWDZBQOSA-N 2 2 372.473 0.837 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000659095117 493149881 /nfs/dbraw/zinc/14/98/81/493149881.db2.gz YEOJDTYUVLFOMC-ZIAGYGMSSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000659095117 493149884 /nfs/dbraw/zinc/14/98/84/493149884.db2.gz YEOJDTYUVLFOMC-ZIAGYGMSSA-N 2 2 360.458 0.496 20 0 FCADLP CC(C)O[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000647035145 493150477 /nfs/dbraw/zinc/15/04/77/493150477.db2.gz XRHWHTJZYRWYEP-NVXWUHKLSA-N 2 2 366.506 0.297 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659098496 493151118 /nfs/dbraw/zinc/15/11/18/493151118.db2.gz ACMGVKXLLUJSBY-QGZVFWFLSA-N 2 2 358.442 0.204 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cn1 ZINC000633396100 493151469 /nfs/dbraw/zinc/15/14/69/493151469.db2.gz QQMPLGVRYMJGJT-UHFFFAOYSA-N 2 2 365.478 0.056 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055372 493154190 /nfs/dbraw/zinc/15/41/90/493154190.db2.gz XCFFNZGTHLJBMT-MRXNPFEDSA-N 2 2 371.485 0.769 20 0 FCADLP Cn1cnnc1N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000653822416 493185270 /nfs/dbraw/zinc/18/52/70/493185270.db2.gz QKVYGCRLLXHREH-UHFFFAOYSA-N 2 2 356.474 0.970 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672534868 493196787 /nfs/dbraw/zinc/19/67/87/493196787.db2.gz DQMAHKJJEIPIIG-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672534868 493196793 /nfs/dbraw/zinc/19/67/93/493196793.db2.gz DQMAHKJJEIPIIG-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672534608 493196892 /nfs/dbraw/zinc/19/68/92/493196892.db2.gz AWMMJDCYPKZIJD-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672534608 493196896 /nfs/dbraw/zinc/19/68/96/493196896.db2.gz AWMMJDCYPKZIJD-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000672637956 493220361 /nfs/dbraw/zinc/22/03/61/493220361.db2.gz AZDBHQKRHZPSPI-GDBMZVCRSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000672637956 493220364 /nfs/dbraw/zinc/22/03/64/493220364.db2.gz AZDBHQKRHZPSPI-GDBMZVCRSA-N 2 2 366.506 0.033 20 0 FCADLP CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638690 493221602 /nfs/dbraw/zinc/22/16/02/493221602.db2.gz UOHKTCYVFIZNEY-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638690 493221607 /nfs/dbraw/zinc/22/16/07/493221607.db2.gz UOHKTCYVFIZNEY-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3c3ccc[nH]3)C2)CC1 ZINC000672641212 493223726 /nfs/dbraw/zinc/22/37/26/493223726.db2.gz NNPRQYULRYDNNK-MAUKXSAKSA-N 2 2 373.501 0.963 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3c3ccc[nH]3)C2)CC1 ZINC000672641212 493223729 /nfs/dbraw/zinc/22/37/29/493223729.db2.gz NNPRQYULRYDNNK-MAUKXSAKSA-N 2 2 373.501 0.963 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672642345 493225693 /nfs/dbraw/zinc/22/56/93/493225693.db2.gz HABNSFWBUSAXKM-YQQAZPJKSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000672642345 493225695 /nfs/dbraw/zinc/22/56/95/493225695.db2.gz HABNSFWBUSAXKM-YQQAZPJKSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)CC[C@@H]1[NH3+] ZINC000659642009 493227330 /nfs/dbraw/zinc/22/73/30/493227330.db2.gz TYNPVSLVFRIQKP-HLPPOEQASA-N 2 2 362.478 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000672643369 493227839 /nfs/dbraw/zinc/22/78/39/493227839.db2.gz WMUWLCFAFYYRCN-QLFBSQMISA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000672643369 493227842 /nfs/dbraw/zinc/22/78/42/493227842.db2.gz WMUWLCFAFYYRCN-QLFBSQMISA-N 2 2 368.547 0.624 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672692596 493233483 /nfs/dbraw/zinc/23/34/83/493233483.db2.gz GIQGTRPKVIEZMC-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000672695759 493234344 /nfs/dbraw/zinc/23/43/44/493234344.db2.gz TXATXCCIUKMCLS-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000672696122 493234387 /nfs/dbraw/zinc/23/43/87/493234387.db2.gz NOCXPRFOWLTALU-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000666926627 493238533 /nfs/dbraw/zinc/23/85/33/493238533.db2.gz VBFVWWQZTUWJAC-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000666926627 493238535 /nfs/dbraw/zinc/23/85/35/493238535.db2.gz VBFVWWQZTUWJAC-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC2)cc[nH+]1 ZINC000666971488 493242850 /nfs/dbraw/zinc/24/28/50/493242850.db2.gz IOJZKPDYIGBQLX-UHFFFAOYSA-N 2 2 354.414 0.531 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000666974499 493242987 /nfs/dbraw/zinc/24/29/87/493242987.db2.gz RTJJUBPFHFJLIH-QZTJIDSGSA-N 2 2 366.506 0.746 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672766098 493247652 /nfs/dbraw/zinc/24/76/52/493247652.db2.gz YMIAPWVHJBZLEZ-INIZCTEOSA-N 2 2 357.458 0.902 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672766098 493247656 /nfs/dbraw/zinc/24/76/56/493247656.db2.gz YMIAPWVHJBZLEZ-INIZCTEOSA-N 2 2 357.458 0.902 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791710 493251154 /nfs/dbraw/zinc/25/11/54/493251154.db2.gz OPJSEQIVAQWGNZ-PBHICJAKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000672791710 493251157 /nfs/dbraw/zinc/25/11/57/493251157.db2.gz OPJSEQIVAQWGNZ-PBHICJAKSA-N 2 2 350.507 0.918 20 0 FCADLP Cn1cc(-c2nn(C)cc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993616 493259111 /nfs/dbraw/zinc/25/91/11/493259111.db2.gz QIZWSKRZURMNBK-HNNXBMFYSA-N 2 2 371.489 0.719 20 0 FCADLP Cn1cc(-c2nn(C)cc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993616 493259113 /nfs/dbraw/zinc/25/91/13/493259113.db2.gz QIZWSKRZURMNBK-HNNXBMFYSA-N 2 2 371.489 0.719 20 0 FCADLP C[NH+](C)C1(C(=O)Nc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000667137901 493260968 /nfs/dbraw/zinc/26/09/68/493260968.db2.gz PQDVLIYCMBFXMF-UHFFFAOYSA-N 2 2 366.487 0.655 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000667156361 493262033 /nfs/dbraw/zinc/26/20/33/493262033.db2.gz IMOYAPJXNGIYHA-ZFWWWQNUSA-N 2 2 366.466 0.450 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c2ccccc2)CC1 ZINC000682012676 493263684 /nfs/dbraw/zinc/26/36/84/493263684.db2.gz XENJZXMYUKSQCU-LJQANCHMSA-N 2 2 374.529 0.890 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c2ccccc2)CC1 ZINC000682012676 493263687 /nfs/dbraw/zinc/26/36/87/493263687.db2.gz XENJZXMYUKSQCU-LJQANCHMSA-N 2 2 374.529 0.890 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)cc2C1 ZINC000682064423 493266348 /nfs/dbraw/zinc/26/63/48/493266348.db2.gz DSTMTUDNNROWOR-UHFFFAOYSA-N 2 2 360.458 0.486 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)C(C)(C)C3)cc2C1 ZINC000682064423 493266350 /nfs/dbraw/zinc/26/63/50/493266350.db2.gz DSTMTUDNNROWOR-UHFFFAOYSA-N 2 2 360.458 0.486 20 0 FCADLP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc2C1 ZINC000682064423 493266355 /nfs/dbraw/zinc/26/63/55/493266355.db2.gz DSTMTUDNNROWOR-UHFFFAOYSA-N 2 2 360.458 0.486 20 0 FCADLP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cc2C1 ZINC000682064423 493266358 /nfs/dbraw/zinc/26/63/58/493266358.db2.gz DSTMTUDNNROWOR-UHFFFAOYSA-N 2 2 360.458 0.486 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672957099 493270098 /nfs/dbraw/zinc/27/00/98/493270098.db2.gz WFICZWMECKIQTN-UHFFFAOYSA-N 2 2 364.409 0.694 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)NCC[NH2+]C2CC2)c1)[NH+]1CCOCC1 ZINC000667296676 493274417 /nfs/dbraw/zinc/27/44/17/493274417.db2.gz UNCXKELQRTVFOY-AWEZNQCLSA-N 2 2 360.458 0.887 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000667311196 493275546 /nfs/dbraw/zinc/27/55/46/493275546.db2.gz DEPLRQKRHVAQTD-HZPDHXFCSA-N 2 2 354.458 0.987 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC1 ZINC000659734110 493278053 /nfs/dbraw/zinc/27/80/53/493278053.db2.gz LIROQUOEKMYEJN-UHFFFAOYSA-N 2 2 350.488 0.780 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682226990 493280611 /nfs/dbraw/zinc/28/06/11/493280611.db2.gz DCCJCYYCNMYPFS-INIZCTEOSA-N 2 2 374.489 0.604 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682226990 493280612 /nfs/dbraw/zinc/28/06/12/493280612.db2.gz DCCJCYYCNMYPFS-INIZCTEOSA-N 2 2 374.489 0.604 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682227600 493280890 /nfs/dbraw/zinc/28/08/90/493280890.db2.gz WBZNQMXMZHDVFH-HNNXBMFYSA-N 2 2 362.478 0.294 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682227600 493280892 /nfs/dbraw/zinc/28/08/92/493280892.db2.gz WBZNQMXMZHDVFH-HNNXBMFYSA-N 2 2 362.478 0.294 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCO1 ZINC000667404577 493283586 /nfs/dbraw/zinc/28/35/86/493283586.db2.gz RQJAQMXGXMWMPU-MEDUHNTESA-N 2 2 371.441 0.964 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659878231 493296839 /nfs/dbraw/zinc/29/68/39/493296839.db2.gz JSEGSYUXFSOWDM-FGTMMUONSA-N 2 2 370.538 0.254 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659878231 493296840 /nfs/dbraw/zinc/29/68/40/493296840.db2.gz JSEGSYUXFSOWDM-FGTMMUONSA-N 2 2 370.538 0.254 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673180949 493299791 /nfs/dbraw/zinc/29/97/91/493299791.db2.gz KLGJWCNKAFTMSR-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673180949 493299793 /nfs/dbraw/zinc/29/97/93/493299793.db2.gz KLGJWCNKAFTMSR-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682500194 493304582 /nfs/dbraw/zinc/30/45/82/493304582.db2.gz PZOHFWSNDSBKJY-UXLLHSPISA-N 2 2 350.507 0.905 20 0 FCADLP CN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682500194 493304584 /nfs/dbraw/zinc/30/45/84/493304584.db2.gz PZOHFWSNDSBKJY-UXLLHSPISA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659995663 493313344 /nfs/dbraw/zinc/31/33/44/493313344.db2.gz GCGHIDDHKQASPT-KURKYZTESA-N 2 2 352.523 0.724 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302432 493314912 /nfs/dbraw/zinc/31/49/12/493314912.db2.gz XPXQHSLYKBTVKJ-JKSUJKDBSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302432 493314914 /nfs/dbraw/zinc/31/49/14/493314914.db2.gz XPXQHSLYKBTVKJ-JKSUJKDBSA-N 2 2 359.474 0.575 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660098595 493324518 /nfs/dbraw/zinc/32/45/18/493324518.db2.gz CABKQNCOSJZHLE-GFCCVEGCSA-N 2 2 354.480 0.835 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660616075 493366704 /nfs/dbraw/zinc/36/67/04/493366704.db2.gz ZDCDVNFXMSWKNO-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668504925 493366935 /nfs/dbraw/zinc/36/69/35/493366935.db2.gz WFOQWMLZWPKKFK-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668504925 493366939 /nfs/dbraw/zinc/36/69/39/493366939.db2.gz WFOQWMLZWPKKFK-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000673896490 493372731 /nfs/dbraw/zinc/37/27/31/493372731.db2.gz VAYVUWFQTCKZPN-UHFFFAOYSA-N 2 2 364.490 0.312 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000660694262 493373381 /nfs/dbraw/zinc/37/33/81/493373381.db2.gz YSCJQULALPVPDR-INIZCTEOSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000683947739 493381227 /nfs/dbraw/zinc/38/12/27/493381227.db2.gz ODDDURXLEGLKDK-MSOLQXFVSA-N 2 2 367.515 0.968 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000668686559 493396962 /nfs/dbraw/zinc/39/69/62/493396962.db2.gz RGKSYNHYAVPVNP-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1cc(S(N)(=O)=O)oc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000668686984 493397762 /nfs/dbraw/zinc/39/77/62/493397762.db2.gz CNVAWNOCZVEKAW-UHFFFAOYSA-N 2 2 372.491 0.333 20 0 FCADLP Cc1cc(S(N)(=O)=O)oc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000668686984 493397764 /nfs/dbraw/zinc/39/77/64/493397764.db2.gz CNVAWNOCZVEKAW-UHFFFAOYSA-N 2 2 372.491 0.333 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668730758 493402600 /nfs/dbraw/zinc/40/26/00/493402600.db2.gz RJEPPZOMDJOLMH-QGZVFWFLSA-N 2 2 355.442 0.698 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000668730758 493402602 /nfs/dbraw/zinc/40/26/02/493402602.db2.gz RJEPPZOMDJOLMH-QGZVFWFLSA-N 2 2 355.442 0.698 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036594 493403880 /nfs/dbraw/zinc/40/38/80/493403880.db2.gz KLLUHMMHXKWJLY-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036594 493403882 /nfs/dbraw/zinc/40/38/82/493403882.db2.gz KLLUHMMHXKWJLY-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294586 493405979 /nfs/dbraw/zinc/40/59/79/493405979.db2.gz HIEWPQYCGPJILH-GJZGRUSLSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294586 493405984 /nfs/dbraw/zinc/40/59/84/493405984.db2.gz HIEWPQYCGPJILH-GJZGRUSLSA-N 2 2 351.495 0.463 20 0 FCADLP C[NH+]1CCN(c2ncc(Br)c(N3CC[NH+](C)CC3)n2)CC1 ZINC000674334980 493408795 /nfs/dbraw/zinc/40/87/95/493408795.db2.gz DCMHGWGPSPKUHG-UHFFFAOYSA-N 2 2 355.284 0.743 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361947 493408822 /nfs/dbraw/zinc/40/88/22/493408822.db2.gz XYEVDSCVUOOMEN-MSOLQXFVSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361947 493408824 /nfs/dbraw/zinc/40/88/24/493408824.db2.gz XYEVDSCVUOOMEN-MSOLQXFVSA-N 2 2 351.491 0.953 20 0 FCADLP CC(=O)N1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375529 493409227 /nfs/dbraw/zinc/40/92/27/493409227.db2.gz QENONWQMWDHNIF-IAGOWNOFSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)N1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375529 493409230 /nfs/dbraw/zinc/40/92/30/493409230.db2.gz QENONWQMWDHNIF-IAGOWNOFSA-N 2 2 365.522 0.713 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCn4c(nnc4C(F)F)C3)cn2)CC1 ZINC000668800352 493413277 /nfs/dbraw/zinc/41/32/77/493413277.db2.gz MGLXJQDYYXJTJH-UHFFFAOYSA-N 2 2 364.404 0.773 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCn4c(nnc4C(F)F)C3)cn2)CC1 ZINC000668800352 493413281 /nfs/dbraw/zinc/41/32/81/493413281.db2.gz MGLXJQDYYXJTJH-UHFFFAOYSA-N 2 2 364.404 0.773 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000661172170 493414976 /nfs/dbraw/zinc/41/49/76/493414976.db2.gz NQDLOSNQTFMXMJ-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000661172170 493414981 /nfs/dbraw/zinc/41/49/81/493414981.db2.gz NQDLOSNQTFMXMJ-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000661188861 493417196 /nfs/dbraw/zinc/41/71/96/493417196.db2.gz WWTPLIRBOZJCEU-AQNXPRMDSA-N 2 2 363.502 0.511 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000661188861 493417198 /nfs/dbraw/zinc/41/71/98/493417198.db2.gz WWTPLIRBOZJCEU-AQNXPRMDSA-N 2 2 363.502 0.511 20 0 FCADLP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000661188861 493417200 /nfs/dbraw/zinc/41/72/00/493417200.db2.gz WWTPLIRBOZJCEU-AQNXPRMDSA-N 2 2 363.502 0.511 20 0 FCADLP COCC[NH+](C)C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000661188861 493417203 /nfs/dbraw/zinc/41/72/03/493417203.db2.gz WWTPLIRBOZJCEU-AQNXPRMDSA-N 2 2 363.502 0.511 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000684585230 493421820 /nfs/dbraw/zinc/42/18/20/493421820.db2.gz ZBDJYTBGFJFKMD-SWLSCSKDSA-N 2 2 373.523 0.059 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000684585230 493421822 /nfs/dbraw/zinc/42/18/22/493421822.db2.gz ZBDJYTBGFJFKMD-SWLSCSKDSA-N 2 2 373.523 0.059 20 0 FCADLP Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684879246 493436186 /nfs/dbraw/zinc/43/61/86/493436186.db2.gz JBUACQMJNWRPJZ-GFCCVEGCSA-N 2 2 370.475 0.134 20 0 FCADLP Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684879246 493436189 /nfs/dbraw/zinc/43/61/89/493436189.db2.gz JBUACQMJNWRPJZ-GFCCVEGCSA-N 2 2 370.475 0.134 20 0 FCADLP O=C(C[NH+]1CCC(O)(CO)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661619042 493453339 /nfs/dbraw/zinc/45/33/39/493453339.db2.gz VWAVUSMUMVGPID-UHFFFAOYSA-N 2 2 353.488 0.212 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)Nc1cnc(N[C@H](C)C[NH+]2CCOCC2)cn1 ZINC000685267130 493471308 /nfs/dbraw/zinc/47/13/08/493471308.db2.gz OWKPCSHQYIYQMT-HZPDHXFCSA-N 2 2 364.494 0.742 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000675194266 493473004 /nfs/dbraw/zinc/47/30/04/493473004.db2.gz LRACOGZFIGHYBW-JKSUJKDBSA-N 2 2 365.522 0.855 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000669183114 493473988 /nfs/dbraw/zinc/47/39/88/493473988.db2.gz OCCZLHVCYOADMY-QGZVFWFLSA-N 2 2 368.522 0.545 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000669189896 493475017 /nfs/dbraw/zinc/47/50/17/493475017.db2.gz XOEOOMOGIRUXEK-FUHWJXTLSA-N 2 2 372.469 0.222 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000669189896 493475019 /nfs/dbraw/zinc/47/50/19/493475019.db2.gz XOEOOMOGIRUXEK-FUHWJXTLSA-N 2 2 372.469 0.222 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339002 493478992 /nfs/dbraw/zinc/47/89/92/493478992.db2.gz BPWCXOJJPOXEIM-WMZOPIPTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339002 493478995 /nfs/dbraw/zinc/47/89/95/493478995.db2.gz BPWCXOJJPOXEIM-WMZOPIPTSA-N 2 2 374.485 0.166 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000685358124 493484944 /nfs/dbraw/zinc/48/49/44/493484944.db2.gz ODYXVKIMFVPWNM-BFYDXBDKSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000685358124 493484947 /nfs/dbraw/zinc/48/49/47/493484947.db2.gz ODYXVKIMFVPWNM-BFYDXBDKSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000685358803 493485494 /nfs/dbraw/zinc/48/54/94/493485494.db2.gz NVVQCDDFEZXYMW-OAHLLOKOSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000685358803 493485496 /nfs/dbraw/zinc/48/54/96/493485496.db2.gz NVVQCDDFEZXYMW-OAHLLOKOSA-N 2 2 359.474 0.791 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[C@@H]1[NH3+] ZINC000669405484 493502454 /nfs/dbraw/zinc/50/24/54/493502454.db2.gz BETPDBWVPPYDDI-HLLBOEOZSA-N 2 2 356.536 0.963 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[C@H]1[NH3+] ZINC000669405483 493502485 /nfs/dbraw/zinc/50/24/85/493502485.db2.gz BETPDBWVPPYDDI-BFYDXBDKSA-N 2 2 356.536 0.963 20 0 FCADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662286318 493502860 /nfs/dbraw/zinc/50/28/60/493502860.db2.gz ZKSHQJCACFHTPM-CYBMUJFWSA-N 2 2 351.447 0.585 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)NCC1C[NH2+]C1 ZINC000669479458 493506925 /nfs/dbraw/zinc/50/69/25/493506925.db2.gz INOSSLBLBOFDNC-UHFFFAOYSA-N 2 2 351.495 0.230 20 0 FCADLP CCc1nnc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1C ZINC000662336759 493507632 /nfs/dbraw/zinc/50/76/32/493507632.db2.gz GKSPQTAEMNGZOS-CQSZACIVSA-N 2 2 358.494 0.890 20 0 FCADLP CCc1nnc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1C ZINC000662336759 493507634 /nfs/dbraw/zinc/50/76/34/493507634.db2.gz GKSPQTAEMNGZOS-CQSZACIVSA-N 2 2 358.494 0.890 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)[nH+]c12 ZINC000669511958 493508251 /nfs/dbraw/zinc/50/82/51/493508251.db2.gz OVMDRAZTOQNGSF-KRWDZBQOSA-N 2 2 356.474 0.874 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)[nH+]c12 ZINC000669511848 493508278 /nfs/dbraw/zinc/50/82/78/493508278.db2.gz JMWVCENYDBMOMV-KRWDZBQOSA-N 2 2 356.474 0.874 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542762 493510574 /nfs/dbraw/zinc/51/05/74/493510574.db2.gz DZZXIAWNJGXIHB-JKSUJKDBSA-N 2 2 374.489 0.689 20 0 FCADLP Cc1ccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)c(N2CCCC2)[nH+]1 ZINC000669556042 493510920 /nfs/dbraw/zinc/51/09/20/493510920.db2.gz WOBZBXRLNBFPQZ-UHFFFAOYSA-N 2 2 360.462 0.221 20 0 FCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000662661973 493530423 /nfs/dbraw/zinc/53/04/23/493530423.db2.gz KSFMSQBTWHEPRO-MAUKXSAKSA-N 2 2 361.442 0.466 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662694020 493532612 /nfs/dbraw/zinc/53/26/12/493532612.db2.gz WEUSRFYNLSACDG-HOTGVXAUSA-N 2 2 368.503 0.698 20 0 FCADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704975 493533468 /nfs/dbraw/zinc/53/34/68/493533468.db2.gz MWKHHLQOAGBIEH-SFHVURJKSA-N 2 2 361.490 0.992 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676246913 493534525 /nfs/dbraw/zinc/53/45/25/493534525.db2.gz ZXHWCKOCSLDHJV-BRWVUGGUSA-N 2 2 355.527 0.278 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246913 493534527 /nfs/dbraw/zinc/53/45/27/493534527.db2.gz ZXHWCKOCSLDHJV-BRWVUGGUSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676246913 493534529 /nfs/dbraw/zinc/53/45/29/493534529.db2.gz ZXHWCKOCSLDHJV-BRWVUGGUSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676246913 493534531 /nfs/dbraw/zinc/53/45/31/493534531.db2.gz ZXHWCKOCSLDHJV-BRWVUGGUSA-N 2 2 355.527 0.278 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662728105 493535395 /nfs/dbraw/zinc/53/53/95/493535395.db2.gz GPIPLNIOGUBOTK-CQSZACIVSA-N 2 2 361.368 0.696 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733537 493536244 /nfs/dbraw/zinc/53/62/44/493536244.db2.gz LKYDCSTYOYQWPN-WMLDXEAASA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733537 493536245 /nfs/dbraw/zinc/53/62/45/493536245.db2.gz LKYDCSTYOYQWPN-WMLDXEAASA-N 2 2 368.428 0.487 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662794695 493542489 /nfs/dbraw/zinc/54/24/89/493542489.db2.gz HQWAISZUEKJMJI-CABCVRRESA-N 2 2 355.446 0.996 20 0 FCADLP Nc1c(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000676477756 493554256 /nfs/dbraw/zinc/55/42/56/493554256.db2.gz KLRPADZHEZELCQ-LBPRGKRZSA-N 2 2 358.402 0.582 20 0 FCADLP Nc1c(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000676477756 493554257 /nfs/dbraw/zinc/55/42/57/493554257.db2.gz KLRPADZHEZELCQ-LBPRGKRZSA-N 2 2 358.402 0.582 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676506773 493556359 /nfs/dbraw/zinc/55/63/59/493556359.db2.gz BVYQYZHSUBURRU-DOTOQJQBSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676506773 493556360 /nfs/dbraw/zinc/55/63/60/493556360.db2.gz BVYQYZHSUBURRU-DOTOQJQBSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676506773 493556363 /nfs/dbraw/zinc/55/63/63/493556363.db2.gz BVYQYZHSUBURRU-DOTOQJQBSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676506773 493556365 /nfs/dbraw/zinc/55/63/65/493556365.db2.gz BVYQYZHSUBURRU-DOTOQJQBSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662985075 493564584 /nfs/dbraw/zinc/56/45/84/493564584.db2.gz QIJHNJUDXDUZQX-NZSAHSFTSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662985075 493564586 /nfs/dbraw/zinc/56/45/86/493564586.db2.gz QIJHNJUDXDUZQX-NZSAHSFTSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422965 493564755 /nfs/dbraw/zinc/56/47/55/493564755.db2.gz COKZYOIYVHJULB-QAPCUYQASA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422965 493564758 /nfs/dbraw/zinc/56/47/58/493564758.db2.gz COKZYOIYVHJULB-QAPCUYQASA-N 2 2 373.501 0.886 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000663181423 493576343 /nfs/dbraw/zinc/57/63/43/493576343.db2.gz MYYVMZJBQZHCIE-HUUCEWRRSA-N 2 2 357.414 0.330 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000670545081 493579580 /nfs/dbraw/zinc/57/95/80/493579580.db2.gz OGZNTBXJJHVIGB-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCOCC3CC3)C2)CC1 ZINC000670712142 493590077 /nfs/dbraw/zinc/59/00/77/493590077.db2.gz GKZROHRJTHEHRI-MRXNPFEDSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000670748758 493593562 /nfs/dbraw/zinc/59/35/62/493593562.db2.gz ATCJOZLFOHNANQ-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000670748758 493593564 /nfs/dbraw/zinc/59/35/64/493593564.db2.gz ATCJOZLFOHNANQ-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nc[nH+]2)CC1 ZINC000663540687 493595202 /nfs/dbraw/zinc/59/52/02/493595202.db2.gz QCHFLZHSZZZHML-CVEARBPZSA-N 2 2 361.490 0.863 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)CO1 ZINC000663551526 493596709 /nfs/dbraw/zinc/59/67/09/493596709.db2.gz FCDHZUNHEWQHGI-YVSFHVDLSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)CO1 ZINC000663551526 493596711 /nfs/dbraw/zinc/59/67/11/493596711.db2.gz FCDHZUNHEWQHGI-YVSFHVDLSA-N 2 2 356.511 0.894 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000670787193 493596788 /nfs/dbraw/zinc/59/67/88/493596788.db2.gz OSWQYZYUNQXWRU-OAHLLOKOSA-N 2 2 357.458 0.984 20 0 FCADLP Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670866665 493607306 /nfs/dbraw/zinc/60/73/06/493607306.db2.gz HJMCTTHOQWMLLI-KRWDZBQOSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670866665 493607309 /nfs/dbraw/zinc/60/73/09/493607309.db2.gz HJMCTTHOQWMLLI-KRWDZBQOSA-N 2 2 358.486 0.896 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCC(C)(C)CO)C2)CC1 ZINC000670867298 493607578 /nfs/dbraw/zinc/60/75/78/493607578.db2.gz FVSNESPWMXZADZ-OAHLLOKOSA-N 2 2 368.522 0.186 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCC(C)(C)CO)C2)CC1 ZINC000670867298 493607580 /nfs/dbraw/zinc/60/75/80/493607580.db2.gz FVSNESPWMXZADZ-OAHLLOKOSA-N 2 2 368.522 0.186 20 0 FCADLP CN(C(=O)c1ccc2n[nH]c(=O)n2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677813543 493617717 /nfs/dbraw/zinc/61/77/17/493617717.db2.gz LYCOCFLLMZBFIH-OAHLLOKOSA-N 2 2 358.446 0.675 20 0 FCADLP CN(C(=O)c1ccc2n[nH]c(=O)n2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677813543 493617718 /nfs/dbraw/zinc/61/77/18/493617718.db2.gz LYCOCFLLMZBFIH-OAHLLOKOSA-N 2 2 358.446 0.675 20 0 FCADLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677865484 493620220 /nfs/dbraw/zinc/62/02/20/493620220.db2.gz OHPGLBPBPDCBCG-QGZVFWFLSA-N 2 2 370.457 0.728 20 0 FCADLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677865484 493620222 /nfs/dbraw/zinc/62/02/22/493620222.db2.gz OHPGLBPBPDCBCG-QGZVFWFLSA-N 2 2 370.457 0.728 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCO1 ZINC000663899810 493624129 /nfs/dbraw/zinc/62/41/29/493624129.db2.gz PGBJEHYOEOHEEF-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCO1 ZINC000663899810 493624131 /nfs/dbraw/zinc/62/41/31/493624131.db2.gz PGBJEHYOEOHEEF-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671101519 493633814 /nfs/dbraw/zinc/63/38/14/493633814.db2.gz WDFFMNMGQLSDKT-IXDOHACOSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671101519 493633816 /nfs/dbraw/zinc/63/38/16/493633816.db2.gz WDFFMNMGQLSDKT-IXDOHACOSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671107086 493635599 /nfs/dbraw/zinc/63/55/99/493635599.db2.gz FZMWZIALOFCHOP-OAGGEKHMSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671107086 493635600 /nfs/dbraw/zinc/63/56/00/493635600.db2.gz FZMWZIALOFCHOP-OAGGEKHMSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671107089 493635660 /nfs/dbraw/zinc/63/56/60/493635660.db2.gz FZMWZIALOFCHOP-PMPSAXMXSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671107089 493635662 /nfs/dbraw/zinc/63/56/62/493635662.db2.gz FZMWZIALOFCHOP-PMPSAXMXSA-N 2 2 357.458 0.520 20 0 FCADLP CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678133357 493636329 /nfs/dbraw/zinc/63/63/29/493636329.db2.gz GKIHWIIRTBKSPR-UHFFFAOYSA-N 2 2 370.519 0.551 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122479 493638946 /nfs/dbraw/zinc/63/89/46/493638946.db2.gz BMSUCAWIIINEEU-LSDHHAIUSA-N 2 2 357.458 0.377 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122479 493638950 /nfs/dbraw/zinc/63/89/50/493638950.db2.gz BMSUCAWIIINEEU-LSDHHAIUSA-N 2 2 357.458 0.377 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123191 493639350 /nfs/dbraw/zinc/63/93/50/493639350.db2.gz RXVBAGVSZJFKEB-KBXCAEBGSA-N 2 2 356.470 0.890 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123191 493639354 /nfs/dbraw/zinc/63/93/54/493639354.db2.gz RXVBAGVSZJFKEB-KBXCAEBGSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671123191 493639355 /nfs/dbraw/zinc/63/93/55/493639355.db2.gz RXVBAGVSZJFKEB-KBXCAEBGSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671123191 493639357 /nfs/dbraw/zinc/63/93/57/493639357.db2.gz RXVBAGVSZJFKEB-KBXCAEBGSA-N 2 2 356.470 0.890 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000664175535 493642104 /nfs/dbraw/zinc/64/21/04/493642104.db2.gz QCVPINLFAJFZEQ-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000664175535 493642106 /nfs/dbraw/zinc/64/21/06/493642106.db2.gz QCVPINLFAJFZEQ-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000664191695 493643506 /nfs/dbraw/zinc/64/35/06/493643506.db2.gz VZHFKSBJYPUDLI-QZTJIDSGSA-N 2 2 368.522 0.851 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671364933 493660981 /nfs/dbraw/zinc/66/09/81/493660981.db2.gz GAAPFWZBGQCFKG-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671364933 493660983 /nfs/dbraw/zinc/66/09/83/493660983.db2.gz GAAPFWZBGQCFKG-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1C[N@H+](C)CCO1 ZINC000664490801 493662680 /nfs/dbraw/zinc/66/26/80/493662680.db2.gz UVWNBGRTYOJBSN-YLFCFFPRSA-N 2 2 366.506 0.648 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000664490801 493662681 /nfs/dbraw/zinc/66/26/81/493662681.db2.gz UVWNBGRTYOJBSN-YLFCFFPRSA-N 2 2 366.506 0.648 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671378216 493662769 /nfs/dbraw/zinc/66/27/69/493662769.db2.gz OFDWNRIZUSAJFY-SFHVURJKSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671378216 493662770 /nfs/dbraw/zinc/66/27/70/493662770.db2.gz OFDWNRIZUSAJFY-SFHVURJKSA-N 2 2 372.513 0.938 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000678990513 493667141 /nfs/dbraw/zinc/66/71/41/493667141.db2.gz MHYZMWRONUDUEI-XLIONFOSSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756990 493681695 /nfs/dbraw/zinc/68/16/95/493681695.db2.gz YSFZTBBJIXUHST-GVDBMIGSSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756990 493681697 /nfs/dbraw/zinc/68/16/97/493681697.db2.gz YSFZTBBJIXUHST-GVDBMIGSSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756990 493681700 /nfs/dbraw/zinc/68/17/00/493681700.db2.gz YSFZTBBJIXUHST-GVDBMIGSSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000679709876 493692562 /nfs/dbraw/zinc/69/25/62/493692562.db2.gz IMHXDRHROXKRGI-MRXNPFEDSA-N 2 2 363.506 0.586 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000679709876 493692563 /nfs/dbraw/zinc/69/25/63/493692563.db2.gz IMHXDRHROXKRGI-MRXNPFEDSA-N 2 2 363.506 0.586 20 0 FCADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000671715655 493703512 /nfs/dbraw/zinc/70/35/12/493703512.db2.gz QTSUMYLTUBDNBH-OAHLLOKOSA-N 2 2 363.458 0.727 20 0 FCADLP COC[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671950514 493717549 /nfs/dbraw/zinc/71/75/49/493717549.db2.gz QGHZGCFZLONOQC-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672010064 493724085 /nfs/dbraw/zinc/72/40/85/493724085.db2.gz TYAQQFNKXOMOQH-ZBFHGGJFSA-N 2 2 359.474 0.623 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000665717667 493731460 /nfs/dbraw/zinc/73/14/60/493731460.db2.gz REKXSLIQSVBJFC-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000665717667 493731464 /nfs/dbraw/zinc/73/14/64/493731464.db2.gz REKXSLIQSVBJFC-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000680993213 493740375 /nfs/dbraw/zinc/74/03/75/493740375.db2.gz VQLMFLWEKZLDID-WMZOPIPTSA-N 2 2 363.502 0.968 20 0 FCADLP CN(C(=O)N[C@@H]1CCCN(C)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216741 493751031 /nfs/dbraw/zinc/75/10/31/493751031.db2.gz JOOZLYFELLRRJE-JKSUJKDBSA-N 2 2 351.495 0.417 20 0 FCADLP CN(C(=O)N[C@@H]1CCCN(C)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216741 493751034 /nfs/dbraw/zinc/75/10/34/493751034.db2.gz JOOZLYFELLRRJE-JKSUJKDBSA-N 2 2 351.495 0.417 20 0 FCADLP COCCOC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217410 493751338 /nfs/dbraw/zinc/75/13/38/493751338.db2.gz FEYPTVFMTNALIH-NVXWUHKLSA-N 2 2 356.511 0.848 20 0 FCADLP COCCOC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217410 493751340 /nfs/dbraw/zinc/75/13/40/493751340.db2.gz FEYPTVFMTNALIH-NVXWUHKLSA-N 2 2 356.511 0.848 20 0 FCADLP CO[C@]1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218785 493751934 /nfs/dbraw/zinc/75/19/34/493751934.db2.gz MQCDWEZASBQUIT-WMZOPIPTSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@]1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218785 493751936 /nfs/dbraw/zinc/75/19/36/493751936.db2.gz MQCDWEZASBQUIT-WMZOPIPTSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000672320035 493756040 /nfs/dbraw/zinc/75/60/40/493756040.db2.gz FDVDOYIZQYILDX-ULQDDVLXSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C(N)=O)C1 ZINC000187451126 534028455 /nfs/dbraw/zinc/02/84/55/534028455.db2.gz MDKCPKMTHSCAFB-CVEARBPZSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C(N)=O)C1 ZINC000187451126 534028458 /nfs/dbraw/zinc/02/84/58/534028458.db2.gz MDKCPKMTHSCAFB-CVEARBPZSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H]1SCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000410655248 534217637 /nfs/dbraw/zinc/21/76/37/534217637.db2.gz QPMCBLFEKCBUHJ-GJZGRUSLSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@@H]1SCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000410655248 534217641 /nfs/dbraw/zinc/21/76/41/534217641.db2.gz QPMCBLFEKCBUHJ-GJZGRUSLSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[NH+]1C ZINC000410733531 534287334 /nfs/dbraw/zinc/28/73/34/534287334.db2.gz PJBKMENYJYXCME-XHSDSOJGSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[NH+]1C ZINC000410733531 534287338 /nfs/dbraw/zinc/28/73/38/534287338.db2.gz PJBKMENYJYXCME-XHSDSOJGSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[N@@H+]1C ZINC000410733531 534287340 /nfs/dbraw/zinc/28/73/40/534287340.db2.gz PJBKMENYJYXCME-XHSDSOJGSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C[C@H](C)[N@H+]1C ZINC000410733531 534287341 /nfs/dbraw/zinc/28/73/41/534287341.db2.gz PJBKMENYJYXCME-XHSDSOJGSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410695923 527844737 /nfs/dbraw/zinc/84/47/37/527844737.db2.gz GSYHENKXYUWGGS-IAGOWNOFSA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410695923 527844741 /nfs/dbraw/zinc/84/47/41/527844741.db2.gz GSYHENKXYUWGGS-IAGOWNOFSA-N 2 2 360.458 0.860 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705053 527921350 /nfs/dbraw/zinc/92/13/50/527921350.db2.gz UFQACHRRSSEODQ-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705053 527921353 /nfs/dbraw/zinc/92/13/53/527921353.db2.gz UFQACHRRSSEODQ-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705053 527921358 /nfs/dbraw/zinc/92/13/58/527921358.db2.gz UFQACHRRSSEODQ-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000410705053 527921362 /nfs/dbraw/zinc/92/13/62/527921362.db2.gz UFQACHRRSSEODQ-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410908546 528064556 /nfs/dbraw/zinc/06/45/56/528064556.db2.gz IGDBPJJAMRDADT-UHFFFAOYSA-N 2 2 364.494 0.244 20 0 FCADLP CCCN1C[C@@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000412226123 528268788 /nfs/dbraw/zinc/26/87/88/528268788.db2.gz HOWZAWMFJJRDHI-CVEARBPZSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1=O ZINC000412226123 528268791 /nfs/dbraw/zinc/26/87/91/528268791.db2.gz HOWZAWMFJJRDHI-CVEARBPZSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000413077138 528453925 /nfs/dbraw/zinc/45/39/25/528453925.db2.gz RTLVLNVUUOJQBD-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000410730703 529031885 /nfs/dbraw/zinc/03/18/85/529031885.db2.gz DAUXDADRBSYWHN-INIZCTEOSA-N 2 2 361.490 0.754 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410499475 529113036 /nfs/dbraw/zinc/11/30/36/529113036.db2.gz SOROOBCKQGYSJC-HOTGVXAUSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410499475 529113038 /nfs/dbraw/zinc/11/30/38/529113038.db2.gz SOROOBCKQGYSJC-HOTGVXAUSA-N 2 2 374.489 0.310 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967771 529130744 /nfs/dbraw/zinc/13/07/44/529130744.db2.gz NNFYQJUOADPAQX-UZLBHIALSA-N 2 2 358.486 0.668 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967771 529130746 /nfs/dbraw/zinc/13/07/46/529130746.db2.gz NNFYQJUOADPAQX-UZLBHIALSA-N 2 2 358.486 0.668 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410939672 529350871 /nfs/dbraw/zinc/35/08/71/529350871.db2.gz WAAAMFYOBONRTD-CVEARBPZSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410939672 529350872 /nfs/dbraw/zinc/35/08/72/529350872.db2.gz WAAAMFYOBONRTD-CVEARBPZSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000410515776 529353290 /nfs/dbraw/zinc/35/32/90/529353290.db2.gz CFWGVFBJPHEMEY-BRWVUGGUSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@H+]1C[C@@H](C)O ZINC000410515776 529353291 /nfs/dbraw/zinc/35/32/91/529353291.db2.gz CFWGVFBJPHEMEY-BRWVUGGUSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C[C@@H](C)O ZINC000410515776 529353293 /nfs/dbraw/zinc/35/32/93/529353293.db2.gz CFWGVFBJPHEMEY-BRWVUGGUSA-N 2 2 368.522 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C[C@@H](C)O ZINC000410515776 529353296 /nfs/dbraw/zinc/35/32/96/529353296.db2.gz CFWGVFBJPHEMEY-BRWVUGGUSA-N 2 2 368.522 0.089 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000431037783 535179737 /nfs/dbraw/zinc/17/97/37/535179737.db2.gz LPMYVUOZNOTEFR-MRXNPFEDSA-N 2 2 371.547 0.878 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423661508 535187107 /nfs/dbraw/zinc/18/71/07/535187107.db2.gz LSQTUQBZEGNMKH-OAHLLOKOSA-N 2 2 364.515 0.993 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c[nH+]1 ZINC000419199285 535684795 /nfs/dbraw/zinc/68/47/95/535684795.db2.gz CUCTUHKSGMDBEL-GOEBONIOSA-N 2 2 361.490 0.987 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC000419204076 535685016 /nfs/dbraw/zinc/68/50/16/535685016.db2.gz IQBKXRSKGHQEER-LJQANCHMSA-N 2 2 359.474 0.756 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419953657 535701302 /nfs/dbraw/zinc/70/13/02/535701302.db2.gz LGBWWDYKQWIIAH-HNNXBMFYSA-N 2 2 361.490 0.858 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423533360 535733529 /nfs/dbraw/zinc/73/35/29/535733529.db2.gz XMTNUAVEFSPCKP-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423533360 535733533 /nfs/dbraw/zinc/73/35/33/535733533.db2.gz XMTNUAVEFSPCKP-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423615103 536372590 /nfs/dbraw/zinc/37/25/90/536372590.db2.gz UBVVWOHMACYORP-UHFFFAOYSA-N 2 2 373.501 0.089 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000530952411 546515731 /nfs/dbraw/zinc/51/57/31/546515731.db2.gz SGSXPGVJZSUGGM-AWEZNQCLSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000530952411 546515738 /nfs/dbraw/zinc/51/57/38/546515738.db2.gz SGSXPGVJZSUGGM-AWEZNQCLSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000363476534 546529586 /nfs/dbraw/zinc/52/95/86/546529586.db2.gz KEJHTNFYUHNKTP-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592557793 546654276 /nfs/dbraw/zinc/65/42/76/546654276.db2.gz JBPPSKWKGOFQNP-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733984 546747821 /nfs/dbraw/zinc/74/78/21/546747821.db2.gz QJCGIEPAOJBUEA-GXTWGEPZSA-N 2 2 351.451 0.985 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733984 546747827 /nfs/dbraw/zinc/74/78/27/546747827.db2.gz QJCGIEPAOJBUEA-GXTWGEPZSA-N 2 2 351.451 0.985 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1=O ZINC000593908614 546766970 /nfs/dbraw/zinc/76/69/70/546766970.db2.gz BHFGKDPNCMFKHE-NEPJUHHUSA-N 2 2 368.459 0.035 20 0 FCADLP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638051683 546871773 /nfs/dbraw/zinc/87/17/73/546871773.db2.gz OMEDAMWTMQOLCK-KBPBESRZSA-N 2 2 350.488 0.822 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000647940317 546872256 /nfs/dbraw/zinc/87/22/56/546872256.db2.gz SWNHCSMNRVEEOJ-CJNGLKHVSA-N 2 2 368.503 0.935 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000647940317 546872262 /nfs/dbraw/zinc/87/22/62/546872262.db2.gz SWNHCSMNRVEEOJ-CJNGLKHVSA-N 2 2 368.503 0.935 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000549940484 547075271 /nfs/dbraw/zinc/07/52/71/547075271.db2.gz KDZOWCDIDUBQJJ-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550659414 547094018 /nfs/dbraw/zinc/09/40/18/547094018.db2.gz QOAIFBOAKPCEAZ-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000550659414 547094023 /nfs/dbraw/zinc/09/40/23/547094023.db2.gz QOAIFBOAKPCEAZ-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000550782452 547105540 /nfs/dbraw/zinc/10/55/40/547105540.db2.gz SNIFAKHJJFTGQJ-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000550782452 547105545 /nfs/dbraw/zinc/10/55/45/547105545.db2.gz SNIFAKHJJFTGQJ-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000551142338 547128082 /nfs/dbraw/zinc/12/80/82/547128082.db2.gz APZIDEYINPSVBU-JKSUJKDBSA-N 2 2 374.551 0.573 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000551142338 547128088 /nfs/dbraw/zinc/12/80/88/547128088.db2.gz APZIDEYINPSVBU-JKSUJKDBSA-N 2 2 374.551 0.573 20 0 FCADLP CC[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@@H](C)C1 ZINC000553264219 547263190 /nfs/dbraw/zinc/26/31/90/547263190.db2.gz IBLNTGZENHDOGD-HNNXBMFYSA-N 2 2 367.519 0.548 20 0 FCADLP CC[N@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@@H](C)C1 ZINC000553264219 547263195 /nfs/dbraw/zinc/26/31/95/547263195.db2.gz IBLNTGZENHDOGD-HNNXBMFYSA-N 2 2 367.519 0.548 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000553619735 547295134 /nfs/dbraw/zinc/29/51/34/547295134.db2.gz ZZOJAFPSOYDDSO-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP CN(CC[N@H+](C)CC(=O)NC(=O)NC1CCCC1)C1CC[NH+](C)CC1 ZINC000180942492 547321444 /nfs/dbraw/zinc/32/14/44/547321444.db2.gz YBVJBJMZIOBFPK-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CN(CC[N@@H+](C)CC(=O)NC(=O)NC1CCCC1)C1CC[NH+](C)CC1 ZINC000180942492 547321446 /nfs/dbraw/zinc/32/14/46/547321446.db2.gz YBVJBJMZIOBFPK-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(=O)NC1CCCC1 ZINC000180942492 547321449 /nfs/dbraw/zinc/32/14/49/547321449.db2.gz YBVJBJMZIOBFPK-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(=O)NC1CCCC1 ZINC000180942492 547321450 /nfs/dbraw/zinc/32/14/50/547321450.db2.gz YBVJBJMZIOBFPK-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccsc1 ZINC000489833973 547388278 /nfs/dbraw/zinc/38/82/78/547388278.db2.gz GTOOMMILVWPPIR-INIZCTEOSA-N 2 2 370.519 0.687 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736748920 598275229 /nfs/dbraw/zinc/27/52/29/598275229.db2.gz ZFKATCQFACGJOA-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736748920 598275231 /nfs/dbraw/zinc/27/52/31/598275231.db2.gz ZFKATCQFACGJOA-MRXNPFEDSA-N 2 2 357.462 0.899 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000737498420 598286554 /nfs/dbraw/zinc/28/65/54/598286554.db2.gz FPRFGKFEQUOHLC-NSHDSACASA-N 2 2 352.406 0.840 20 0 FCADLP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736802793 598350195 /nfs/dbraw/zinc/35/01/95/598350195.db2.gz XEEYUZSOSHKNGF-UHFFFAOYSA-N 2 2 373.461 0.584 20 0 FCADLP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736802793 598350196 /nfs/dbraw/zinc/35/01/96/598350196.db2.gz XEEYUZSOSHKNGF-UHFFFAOYSA-N 2 2 373.461 0.584 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736851669 598767544 /nfs/dbraw/zinc/76/75/44/598767544.db2.gz KKXYVNBTTLHODB-HNNXBMFYSA-N 2 2 355.446 0.765 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736851669 598767546 /nfs/dbraw/zinc/76/75/46/598767546.db2.gz KKXYVNBTTLHODB-HNNXBMFYSA-N 2 2 355.446 0.765 20 0 FCADLP CC(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000956582613 674527062 /nfs/dbraw/zinc/52/70/62/674527062.db2.gz CJMRISMHWWQVSK-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000956582613 674527064 /nfs/dbraw/zinc/52/70/64/674527064.db2.gz CJMRISMHWWQVSK-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CCSC1 ZINC000821581813 606238153 /nfs/dbraw/zinc/23/81/53/606238153.db2.gz VFLBJEHBZLFBDE-IAQYHMDHSA-N 2 2 363.495 0.132 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000822190770 607035382 /nfs/dbraw/zinc/03/53/82/607035382.db2.gz AFNYVMXGIJIYRZ-CQSZACIVSA-N 2 2 370.461 0.621 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000822190770 607035383 /nfs/dbraw/zinc/03/53/83/607035383.db2.gz AFNYVMXGIJIYRZ-CQSZACIVSA-N 2 2 370.461 0.621 20 0 FCADLP CCOC1CC(CNC(=O)N(CC)[C@@H]2CC[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000891857385 663443373 /nfs/dbraw/zinc/44/33/73/663443373.db2.gz CWBCQKNFYKCLIV-KLHKWILBSA-N 2 2 354.495 0.650 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000891973406 663460069 /nfs/dbraw/zinc/46/00/69/663460069.db2.gz UDDRBBMRHXDHFN-UHFFFAOYSA-N 2 2 364.519 0.339 20 0 FCADLP C[N@H+](CC1CC1)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971997179 663471446 /nfs/dbraw/zinc/47/14/46/663471446.db2.gz JKYUXYQREREZBK-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@@H+](CC1CC1)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971997179 663471450 /nfs/dbraw/zinc/47/14/50/663471450.db2.gz JKYUXYQREREZBK-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000892884473 664153567 /nfs/dbraw/zinc/15/35/67/664153567.db2.gz DBNYYJVSQJQNPH-CYBMUJFWSA-N 2 2 365.503 0.877 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(=O)O1 ZINC000893267997 664224997 /nfs/dbraw/zinc/22/49/97/664224997.db2.gz QGDCGKCEUMVYLA-GJZGRUSLSA-N 2 2 352.479 0.940 20 0 FCADLP Cc1nonc1C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001026514591 664239410 /nfs/dbraw/zinc/23/94/10/664239410.db2.gz KLINRVJFWQVBGL-JIFUTNICSA-N 2 2 351.451 0.614 20 0 FCADLP C[N@H+](CCF)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501723 664418776 /nfs/dbraw/zinc/41/87/76/664418776.db2.gz FRPQLMKHIAHOHH-BBWFWOEESA-N 2 2 357.470 0.759 20 0 FCADLP C[N@@H+](CCF)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027501723 664418777 /nfs/dbraw/zinc/41/87/77/664418777.db2.gz FRPQLMKHIAHOHH-BBWFWOEESA-N 2 2 357.470 0.759 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccns4)C[C@H]32)O1 ZINC000978319081 664435135 /nfs/dbraw/zinc/43/51/35/664435135.db2.gz IXLUVBMCEIZSBL-CSOUEMRRSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccns4)C[C@H]32)O1 ZINC000978319081 664435136 /nfs/dbraw/zinc/43/51/36/664435136.db2.gz IXLUVBMCEIZSBL-CSOUEMRRSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccns4)C[C@H]32)O1 ZINC000978319081 664435139 /nfs/dbraw/zinc/43/51/39/664435139.db2.gz IXLUVBMCEIZSBL-CSOUEMRRSA-N 2 2 350.488 0.656 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978506134 664439730 /nfs/dbraw/zinc/43/97/30/664439730.db2.gz HHCVQNDIXGYDND-DZVNLGKHSA-N 2 2 351.491 0.570 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978506134 664439731 /nfs/dbraw/zinc/43/97/31/664439731.db2.gz HHCVQNDIXGYDND-DZVNLGKHSA-N 2 2 351.491 0.570 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966568 664479436 /nfs/dbraw/zinc/47/94/36/664479436.db2.gz QZUCDAFMIWSDEZ-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966568 664479438 /nfs/dbraw/zinc/47/94/38/664479438.db2.gz QZUCDAFMIWSDEZ-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966568 664479440 /nfs/dbraw/zinc/47/94/40/664479440.db2.gz QZUCDAFMIWSDEZ-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966568 664479443 /nfs/dbraw/zinc/47/94/43/664479443.db2.gz QZUCDAFMIWSDEZ-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981200023 664817546 /nfs/dbraw/zinc/81/75/46/664817546.db2.gz JFYCXBQQCAFJEB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981200023 664817549 /nfs/dbraw/zinc/81/75/49/664817549.db2.gz JFYCXBQQCAFJEB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981200023 664817551 /nfs/dbraw/zinc/81/75/51/664817551.db2.gz JFYCXBQQCAFJEB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981200023 664817555 /nfs/dbraw/zinc/81/75/55/664817555.db2.gz JFYCXBQQCAFJEB-YESZJQIVSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981200022 664817687 /nfs/dbraw/zinc/81/76/87/664817687.db2.gz JFYCXBQQCAFJEB-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981200022 664817691 /nfs/dbraw/zinc/81/76/91/664817691.db2.gz JFYCXBQQCAFJEB-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981200022 664817694 /nfs/dbraw/zinc/81/76/94/664817694.db2.gz JFYCXBQQCAFJEB-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981200022 664817697 /nfs/dbraw/zinc/81/76/97/664817697.db2.gz JFYCXBQQCAFJEB-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[N@@H+](CCCF)CC1 ZINC000981663369 664835468 /nfs/dbraw/zinc/83/54/68/664835468.db2.gz OGMXTFGAAUXOQL-SJORKVTESA-N 2 2 357.470 0.760 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[N@H+](CCCF)CC1 ZINC000981663369 664835471 /nfs/dbraw/zinc/83/54/71/664835471.db2.gz OGMXTFGAAUXOQL-SJORKVTESA-N 2 2 357.470 0.760 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC001038397749 664928003 /nfs/dbraw/zinc/92/80/03/664928003.db2.gz CENZBXAAFUHWMC-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC001038397749 664928004 /nfs/dbraw/zinc/92/80/04/664928004.db2.gz CENZBXAAFUHWMC-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC001038397749 664928006 /nfs/dbraw/zinc/92/80/06/664928006.db2.gz CENZBXAAFUHWMC-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC001038397749 664928007 /nfs/dbraw/zinc/92/80/07/664928007.db2.gz CENZBXAAFUHWMC-UHOFOFEASA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629436 664930958 /nfs/dbraw/zinc/93/09/58/664930958.db2.gz LZKGSFJVSWOFQJ-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629436 664930959 /nfs/dbraw/zinc/93/09/59/664930959.db2.gz LZKGSFJVSWOFQJ-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnsc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629436 664930960 /nfs/dbraw/zinc/93/09/60/664930960.db2.gz LZKGSFJVSWOFQJ-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnsc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629436 664930962 /nfs/dbraw/zinc/93/09/62/664930962.db2.gz LZKGSFJVSWOFQJ-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028629452 664931000 /nfs/dbraw/zinc/93/10/00/664931000.db2.gz MSCLQJCPNZZRTH-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028629452 664931001 /nfs/dbraw/zinc/93/10/01/664931001.db2.gz MSCLQJCPNZZRTH-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028629452 664931004 /nfs/dbraw/zinc/93/10/04/664931004.db2.gz MSCLQJCPNZZRTH-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028629452 664931005 /nfs/dbraw/zinc/93/10/05/664931005.db2.gz MSCLQJCPNZZRTH-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC000960529893 674678692 /nfs/dbraw/zinc/67/86/92/674678692.db2.gz VVRVATVGWPNXBP-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1nc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC000960529893 674678695 /nfs/dbraw/zinc/67/86/95/674678695.db2.gz VVRVATVGWPNXBP-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC000960529893 674678698 /nfs/dbraw/zinc/67/86/98/674678698.db2.gz VVRVATVGWPNXBP-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC000960529893 674678701 /nfs/dbraw/zinc/67/87/01/674678701.db2.gz VVRVATVGWPNXBP-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000179016301 665017683 /nfs/dbraw/zinc/01/76/83/665017683.db2.gz LOWRDGWGVTWYPL-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000179016301 665017686 /nfs/dbraw/zinc/01/76/86/665017686.db2.gz LOWRDGWGVTWYPL-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000179016301 665017689 /nfs/dbraw/zinc/01/76/89/665017689.db2.gz LOWRDGWGVTWYPL-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000179016301 665017692 /nfs/dbraw/zinc/01/76/92/665017692.db2.gz LOWRDGWGVTWYPL-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685982 665055050 /nfs/dbraw/zinc/05/50/50/665055050.db2.gz PDDPISWGIYSSDM-KURKYZTESA-N 2 2 352.523 0.820 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562084 665094640 /nfs/dbraw/zinc/09/46/40/665094640.db2.gz DRTFELVVGCAJKR-RYQLBKOJSA-N 2 2 354.539 0.874 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562084 665094642 /nfs/dbraw/zinc/09/46/42/665094642.db2.gz DRTFELVVGCAJKR-RYQLBKOJSA-N 2 2 354.539 0.874 20 0 FCADLP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001029767651 665171735 /nfs/dbraw/zinc/17/17/35/665171735.db2.gz XEUBJGMRRRXFJQ-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001029767651 665171736 /nfs/dbraw/zinc/17/17/36/665171736.db2.gz XEUBJGMRRRXFJQ-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)no1 ZINC001029767651 665171737 /nfs/dbraw/zinc/17/17/37/665171737.db2.gz XEUBJGMRRRXFJQ-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)no1 ZINC001029767651 665171738 /nfs/dbraw/zinc/17/17/38/665171738.db2.gz XEUBJGMRRRXFJQ-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000906629463 666061229 /nfs/dbraw/zinc/06/12/29/666061229.db2.gz CWIIHIIFMJCLEL-HNNXBMFYSA-N 2 2 359.536 0.734 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000906629463 666061231 /nfs/dbraw/zinc/06/12/31/666061231.db2.gz CWIIHIIFMJCLEL-HNNXBMFYSA-N 2 2 359.536 0.734 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121274 666186912 /nfs/dbraw/zinc/18/69/12/666186912.db2.gz YTNGMTSLZOUVRE-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121274 666186915 /nfs/dbraw/zinc/18/69/15/666186915.db2.gz YTNGMTSLZOUVRE-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000908146313 666186953 /nfs/dbraw/zinc/18/69/53/666186953.db2.gz SJQVMLQSCRURAB-QZTJIDSGSA-N 2 2 352.523 0.724 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540968 666211263 /nfs/dbraw/zinc/21/12/63/666211263.db2.gz OLLKAUOUJMYMNV-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540968 666211265 /nfs/dbraw/zinc/21/12/65/666211265.db2.gz OLLKAUOUJMYMNV-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000908540968 666211267 /nfs/dbraw/zinc/21/12/67/666211267.db2.gz OLLKAUOUJMYMNV-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000908540968 666211270 /nfs/dbraw/zinc/21/12/70/666211270.db2.gz OLLKAUOUJMYMNV-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001031765789 666496178 /nfs/dbraw/zinc/49/61/78/666496178.db2.gz PNOUBINBEBIKSY-MLGOLLRUSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001031765789 666496179 /nfs/dbraw/zinc/49/61/79/666496179.db2.gz PNOUBINBEBIKSY-MLGOLLRUSA-N 2 2 350.463 0.813 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000168555830 666579000 /nfs/dbraw/zinc/57/90/00/666579000.db2.gz IOBVNCCDIYUTHW-HZPDHXFCSA-N 2 2 359.536 0.909 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCCC1 ZINC000172802957 666602823 /nfs/dbraw/zinc/60/28/23/666602823.db2.gz VZWNWLXRNPYXCR-HNNXBMFYSA-N 2 2 359.536 0.876 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000447887590 666825348 /nfs/dbraw/zinc/82/53/48/666825348.db2.gz DZCABHMENNEOIZ-ZJPYXAASSA-N 2 2 351.491 0.950 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000447887590 666825352 /nfs/dbraw/zinc/82/53/52/666825352.db2.gz DZCABHMENNEOIZ-ZJPYXAASSA-N 2 2 351.491 0.950 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000993582823 666918183 /nfs/dbraw/zinc/91/81/83/666918183.db2.gz BOGSAAZIBWEUNN-ZIAGYGMSSA-N 2 2 365.503 0.290 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000916618633 667010232 /nfs/dbraw/zinc/01/02/32/667010232.db2.gz AZCSITLOBBJGTH-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000916618633 667010235 /nfs/dbraw/zinc/01/02/35/667010235.db2.gz AZCSITLOBBJGTH-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000916618633 667010238 /nfs/dbraw/zinc/01/02/38/667010238.db2.gz AZCSITLOBBJGTH-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000916618633 667010242 /nfs/dbraw/zinc/01/02/42/667010242.db2.gz AZCSITLOBBJGTH-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032411809 667117943 /nfs/dbraw/zinc/11/79/43/667117943.db2.gz WYHRSBPCISBXPK-FXUDXRNXSA-N 2 2 364.515 0.844 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032411809 667117946 /nfs/dbraw/zinc/11/79/46/667117946.db2.gz WYHRSBPCISBXPK-FXUDXRNXSA-N 2 2 364.515 0.844 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032411809 667117948 /nfs/dbraw/zinc/11/79/48/667117948.db2.gz WYHRSBPCISBXPK-FXUDXRNXSA-N 2 2 364.515 0.844 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032411809 667117951 /nfs/dbraw/zinc/11/79/51/667117951.db2.gz WYHRSBPCISBXPK-FXUDXRNXSA-N 2 2 364.515 0.844 20 0 FCADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000998048310 667194288 /nfs/dbraw/zinc/19/42/88/667194288.db2.gz VVWSJRMGLZUVQV-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000998048310 667194290 /nfs/dbraw/zinc/19/42/90/667194290.db2.gz VVWSJRMGLZUVQV-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000998048310 667194293 /nfs/dbraw/zinc/19/42/93/667194293.db2.gz VVWSJRMGLZUVQV-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000998048310 667194295 /nfs/dbraw/zinc/19/42/95/667194295.db2.gz VVWSJRMGLZUVQV-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999492432 667241635 /nfs/dbraw/zinc/24/16/35/667241635.db2.gz BANNQVNTCIBQHE-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999492432 667241639 /nfs/dbraw/zinc/24/16/39/667241639.db2.gz BANNQVNTCIBQHE-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184245 667713103 /nfs/dbraw/zinc/71/31/03/667713103.db2.gz HMBSMSRSRUXWKV-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184245 667713107 /nfs/dbraw/zinc/71/31/07/667713107.db2.gz HMBSMSRSRUXWKV-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184245 667713110 /nfs/dbraw/zinc/71/31/10/667713110.db2.gz HMBSMSRSRUXWKV-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184245 667713113 /nfs/dbraw/zinc/71/31/13/667713113.db2.gz HMBSMSRSRUXWKV-VNHYZAJKSA-N 2 2 368.503 0.904 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001033835659 667738975 /nfs/dbraw/zinc/73/89/75/667738975.db2.gz AKPPBNPVBVGHET-HRCADAONSA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001033835659 667738977 /nfs/dbraw/zinc/73/89/77/667738977.db2.gz AKPPBNPVBVGHET-HRCADAONSA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001033835659 667738980 /nfs/dbraw/zinc/73/89/80/667738980.db2.gz AKPPBNPVBVGHET-HRCADAONSA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001033835659 667738981 /nfs/dbraw/zinc/73/89/81/667738981.db2.gz AKPPBNPVBVGHET-HRCADAONSA-N 2 2 359.536 0.684 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001034974290 667772962 /nfs/dbraw/zinc/77/29/62/667772962.db2.gz GCOUKPDZRIDTNU-MGPQQGTHSA-N 2 2 367.519 0.900 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001034974290 667772966 /nfs/dbraw/zinc/77/29/66/667772966.db2.gz GCOUKPDZRIDTNU-MGPQQGTHSA-N 2 2 367.519 0.900 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426414 667780391 /nfs/dbraw/zinc/78/03/91/667780391.db2.gz XRAGMHKHTMWGJM-BPLDGKMQSA-N 2 2 361.433 0.568 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426414 667780397 /nfs/dbraw/zinc/78/03/97/667780397.db2.gz XRAGMHKHTMWGJM-BPLDGKMQSA-N 2 2 361.433 0.568 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426414 667780402 /nfs/dbraw/zinc/78/04/02/667780402.db2.gz XRAGMHKHTMWGJM-BPLDGKMQSA-N 2 2 361.433 0.568 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426414 667780406 /nfs/dbraw/zinc/78/04/06/667780406.db2.gz XRAGMHKHTMWGJM-BPLDGKMQSA-N 2 2 361.433 0.568 20 0 FCADLP CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC001035755696 667790294 /nfs/dbraw/zinc/79/02/94/667790294.db2.gz OETVJFHULYENIY-SJORKVTESA-N 2 2 351.491 0.811 20 0 FCADLP [NH3+]CC(C[NH3+])NCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000923358725 667827095 /nfs/dbraw/zinc/82/70/95/667827095.db2.gz GCVLHKBHNPLMBC-INIZCTEOSA-N 3 2 353.898 0.469 20 0 FCADLP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923489002 667840893 /nfs/dbraw/zinc/84/08/93/667840893.db2.gz MYDGBJPUHQKXNN-GOEBONIOSA-N 2 2 357.520 0.615 20 0 FCADLP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923489002 667840896 /nfs/dbraw/zinc/84/08/96/667840896.db2.gz MYDGBJPUHQKXNN-GOEBONIOSA-N 2 2 357.520 0.615 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000764400518 667981910 /nfs/dbraw/zinc/98/19/10/667981910.db2.gz BYCUCAYYEZYSJH-QBPKDAKJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000764400518 667981913 /nfs/dbraw/zinc/98/19/13/667981913.db2.gz BYCUCAYYEZYSJH-QBPKDAKJSA-N 2 2 350.507 0.728 20 0 FCADLP C[NH+](C)CCNC(=S)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743580253 668049301 /nfs/dbraw/zinc/04/93/01/668049301.db2.gz OGWSPBNKPQNGML-UHFFFAOYSA-N 2 2 366.531 0.923 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000774567797 668160001 /nfs/dbraw/zinc/16/00/01/668160001.db2.gz VIBVPNXREFMVHG-OAHLLOKOSA-N 2 2 372.535 0.152 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000774567797 668160005 /nfs/dbraw/zinc/16/00/05/668160005.db2.gz VIBVPNXREFMVHG-OAHLLOKOSA-N 2 2 372.535 0.152 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000772208566 668293907 /nfs/dbraw/zinc/29/39/07/668293907.db2.gz IXCSTRUBUDJGIX-HUUCEWRRSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000772208566 668293909 /nfs/dbraw/zinc/29/39/09/668293909.db2.gz IXCSTRUBUDJGIX-HUUCEWRRSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390314 668876078 /nfs/dbraw/zinc/87/60/78/668876078.db2.gz SJQDWDCEVUCFNN-QAPCUYQASA-N 2 2 352.479 0.513 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390312 668876141 /nfs/dbraw/zinc/87/61/41/668876141.db2.gz SJQDWDCEVUCFNN-CRAIPNDOSA-N 2 2 352.479 0.513 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCC(=O)NC1=O ZINC000799125479 669282603 /nfs/dbraw/zinc/28/26/03/669282603.db2.gz FZCOIZIGTNOBIH-KRWDZBQOSA-N 3 2 350.507 0.920 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCC(=O)NC1=O ZINC000799125479 669282608 /nfs/dbraw/zinc/28/26/08/669282608.db2.gz FZCOIZIGTNOBIH-KRWDZBQOSA-N 3 2 350.507 0.920 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000829117269 669685118 /nfs/dbraw/zinc/68/51/18/669685118.db2.gz ZYNXKJGZSRVTEP-MRXNPFEDSA-N 2 2 367.515 0.572 20 0 FCADLP CN(CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000830768210 669804486 /nfs/dbraw/zinc/80/44/86/669804486.db2.gz ZSXQRYXTBAIPOI-MRXNPFEDSA-N 2 2 370.519 0.159 20 0 FCADLP CN(CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000830768210 669804492 /nfs/dbraw/zinc/80/44/92/669804492.db2.gz ZSXQRYXTBAIPOI-MRXNPFEDSA-N 2 2 370.519 0.159 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000817287131 670006398 /nfs/dbraw/zinc/00/63/98/670006398.db2.gz KLWPIEUREKOELL-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000817287131 670006402 /nfs/dbraw/zinc/00/64/02/670006402.db2.gz KLWPIEUREKOELL-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000817287131 670006405 /nfs/dbraw/zinc/00/64/05/670006405.db2.gz KLWPIEUREKOELL-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000817287131 670006407 /nfs/dbraw/zinc/00/64/07/670006407.db2.gz KLWPIEUREKOELL-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817978819 670052159 /nfs/dbraw/zinc/05/21/59/670052159.db2.gz FGPLOFAIXMRJAQ-AAEUAGOBSA-N 2 2 363.505 0.800 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC1 ZINC000817990183 670053171 /nfs/dbraw/zinc/05/31/71/670053171.db2.gz ZDBAYWBJGRUZLN-UHFFFAOYSA-N 2 2 354.495 0.284 20 0 FCADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000841214853 670541019 /nfs/dbraw/zinc/54/10/19/670541019.db2.gz DHRXPXBJBXZFJN-UHFFFAOYSA-N 2 2 355.389 0.087 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000841804153 670611183 /nfs/dbraw/zinc/61/11/83/670611183.db2.gz NJUYVBJIHVLLQI-MRXNPFEDSA-N 2 2 374.551 0.702 20 0 FCADLP CN(C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C1CCC([NH3+])CC1 ZINC000842038029 670629236 /nfs/dbraw/zinc/62/92/36/670629236.db2.gz CNMAVTYHPIICRB-UHFFFAOYSA-N 2 2 364.515 0.951 20 0 FCADLP CN(C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C1CCC([NH3+])CC1 ZINC000842038029 670629240 /nfs/dbraw/zinc/62/92/40/670629240.db2.gz CNMAVTYHPIICRB-UHFFFAOYSA-N 2 2 364.515 0.951 20 0 FCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000842166456 670642915 /nfs/dbraw/zinc/64/29/15/670642915.db2.gz LYQXAEHOGZLDPX-HNNXBMFYSA-N 2 2 357.495 0.793 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000842166456 670642923 /nfs/dbraw/zinc/64/29/23/670642923.db2.gz LYQXAEHOGZLDPX-HNNXBMFYSA-N 2 2 357.495 0.793 20 0 FCADLP [NH3+]CCCCCCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000843258628 670789123 /nfs/dbraw/zinc/78/91/23/670789123.db2.gz BUVIMGMTDRCYQH-UHFFFAOYSA-N 2 2 352.504 0.858 20 0 FCADLP [NH3+]CCCCCCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000843258628 670789124 /nfs/dbraw/zinc/78/91/24/670789124.db2.gz BUVIMGMTDRCYQH-UHFFFAOYSA-N 2 2 352.504 0.858 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000846861726 671154810 /nfs/dbraw/zinc/15/48/10/671154810.db2.gz MGWUDFBOWQXWRJ-ZDUSSCGKSA-N 2 2 358.870 0.912 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000846861726 671154812 /nfs/dbraw/zinc/15/48/12/671154812.db2.gz MGWUDFBOWQXWRJ-ZDUSSCGKSA-N 2 2 358.870 0.912 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889498 671156507 /nfs/dbraw/zinc/15/65/07/671156507.db2.gz UGLRJVFOWZTATJ-OWCLPIDISA-N 2 2 357.495 0.724 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889498 671156509 /nfs/dbraw/zinc/15/65/09/671156509.db2.gz UGLRJVFOWZTATJ-OWCLPIDISA-N 2 2 357.495 0.724 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889498 671156510 /nfs/dbraw/zinc/15/65/10/671156510.db2.gz UGLRJVFOWZTATJ-OWCLPIDISA-N 2 2 357.495 0.724 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000846889498 671156513 /nfs/dbraw/zinc/15/65/13/671156513.db2.gz UGLRJVFOWZTATJ-OWCLPIDISA-N 2 2 357.495 0.724 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000846892329 671156575 /nfs/dbraw/zinc/15/65/75/671156575.db2.gz TVVWPQBUOZZLAY-CYBMUJFWSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000846892329 671156576 /nfs/dbraw/zinc/15/65/76/671156576.db2.gz TVVWPQBUOZZLAY-CYBMUJFWSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957540 671161869 /nfs/dbraw/zinc/16/18/69/671161869.db2.gz LLCUIYYGWJGFNH-IHRRRGAJSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957540 671161870 /nfs/dbraw/zinc/16/18/70/671161870.db2.gz LLCUIYYGWJGFNH-IHRRRGAJSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957540 671161872 /nfs/dbraw/zinc/16/18/72/671161872.db2.gz LLCUIYYGWJGFNH-IHRRRGAJSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000846957540 671161875 /nfs/dbraw/zinc/16/18/75/671161875.db2.gz LLCUIYYGWJGFNH-IHRRRGAJSA-N 2 2 367.412 0.268 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852709113 671518963 /nfs/dbraw/zinc/51/89/63/671518963.db2.gz CTHLLETVJWHSAF-ZDUSSCGKSA-N 2 2 366.487 0.707 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852709113 671518966 /nfs/dbraw/zinc/51/89/66/671518966.db2.gz CTHLLETVJWHSAF-ZDUSSCGKSA-N 2 2 366.487 0.707 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000112455232 671591779 /nfs/dbraw/zinc/59/17/79/671591779.db2.gz XIHBCRPTBQOLDN-UHFFFAOYSA-N 2 2 362.540 0.527 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000112455232 671591781 /nfs/dbraw/zinc/59/17/81/671591781.db2.gz XIHBCRPTBQOLDN-UHFFFAOYSA-N 2 2 362.540 0.527 20 0 FCADLP Cc1cc(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)no1 ZINC000903562225 675944993 /nfs/dbraw/zinc/94/49/93/675944993.db2.gz IIXLFUZLUYRYIO-IYBDPMFKSA-N 2 2 354.476 0.713 20 0 FCADLP Cc1cc(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)no1 ZINC000903562225 675944994 /nfs/dbraw/zinc/94/49/94/675944994.db2.gz IIXLFUZLUYRYIO-IYBDPMFKSA-N 2 2 354.476 0.713 20 0 FCADLP C[C@H]([NH3+])CN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000861568081 671972721 /nfs/dbraw/zinc/97/27/21/671972721.db2.gz VFTPJHCJDBREKD-HNNXBMFYSA-N 2 2 350.463 0.886 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCC3CCC3)CC2)CC1 ZINC000804009625 675985984 /nfs/dbraw/zinc/98/59/84/675985984.db2.gz WTJYDILLDHFHEB-UHFFFAOYSA-N 2 2 350.507 0.968 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCC(=O)NC(C)C)[nH+]cn2)C1 ZINC000864696272 672205840 /nfs/dbraw/zinc/20/58/40/672205840.db2.gz DFWXOYVCILQMQW-KBPBESRZSA-N 2 2 350.467 0.568 20 0 FCADLP CN(C(=O)/C=C1/SCC(=O)N1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874460247 672786159 /nfs/dbraw/zinc/78/61/59/672786159.db2.gz SYRZKTLXFQOWSB-NGWPFTMJSA-N 2 2 352.504 0.660 20 0 FCADLP CN(C(=O)/C=C1/SCC(=O)N1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874460247 672786163 /nfs/dbraw/zinc/78/61/63/672786163.db2.gz SYRZKTLXFQOWSB-NGWPFTMJSA-N 2 2 352.504 0.660 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875073697 672827898 /nfs/dbraw/zinc/82/78/98/672827898.db2.gz HLVISWKBXYZHNO-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625295 676107251 /nfs/dbraw/zinc/10/72/51/676107251.db2.gz YOJMDMHSEJCKHP-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051625295 676107252 /nfs/dbraw/zinc/10/72/52/676107252.db2.gz YOJMDMHSEJCKHP-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880496949 673196488 /nfs/dbraw/zinc/19/64/88/673196488.db2.gz APXOOVHROKMZTK-SJORKVTESA-N 2 2 352.523 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cncs2)C1 ZINC001051834883 676112109 /nfs/dbraw/zinc/11/21/09/676112109.db2.gz ZKLVBFBJRZEFHY-NWANDNLSSA-N 2 2 361.471 0.997 20 0 FCADLP C[NH+](C)CCc1cn(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000881343931 673225328 /nfs/dbraw/zinc/22/53/28/673225328.db2.gz OLGHMDNPHTVIPL-UHFFFAOYSA-N 2 2 352.483 0.935 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CCO1 ZINC000883271309 673370221 /nfs/dbraw/zinc/37/02/21/673370221.db2.gz KASGABSGQLJHQR-OAHLLOKOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CCO1 ZINC000883271309 673370224 /nfs/dbraw/zinc/37/02/24/673370224.db2.gz KASGABSGQLJHQR-OAHLLOKOSA-N 2 2 354.495 0.650 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884674294 673471561 /nfs/dbraw/zinc/47/15/61/673471561.db2.gz ROEDRPBGHCIZPB-AWEZNQCLSA-N 2 2 363.487 0.119 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884908777 673490238 /nfs/dbraw/zinc/49/02/38/673490238.db2.gz CWVJOIFJGFZXQI-WKILWMFISA-N 2 2 354.495 0.189 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)[N@@H+]1CCO[C@H](CC)C1 ZINC000889755607 673685727 /nfs/dbraw/zinc/68/57/27/673685727.db2.gz JDURBTOIIJWSMP-ZJPYXAASSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)[N@H+]1CCO[C@H](CC)C1 ZINC000889755607 673685730 /nfs/dbraw/zinc/68/57/30/673685730.db2.gz JDURBTOIIJWSMP-ZJPYXAASSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCO[C@H](CC)C1 ZINC000889755607 673685732 /nfs/dbraw/zinc/68/57/32/673685732.db2.gz JDURBTOIIJWSMP-ZJPYXAASSA-N 2 2 353.507 0.933 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925600948 673795971 /nfs/dbraw/zinc/79/59/71/673795971.db2.gz XZPISPZEFXAMNH-OAHLLOKOSA-N 2 2 356.467 0.082 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000925613920 673797442 /nfs/dbraw/zinc/79/74/42/673797442.db2.gz UZVMXDPIYNCXGJ-WBVHZDCISA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000925613920 673797444 /nfs/dbraw/zinc/79/74/44/673797444.db2.gz UZVMXDPIYNCXGJ-WBVHZDCISA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927637918 673873343 /nfs/dbraw/zinc/87/33/43/673873343.db2.gz IXRZJMNVYTXSHI-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927637918 673873347 /nfs/dbraw/zinc/87/33/47/673873347.db2.gz IXRZJMNVYTXSHI-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP CCCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000969071734 675268385 /nfs/dbraw/zinc/26/83/85/675268385.db2.gz CNSMNZHXTDVLSK-MGPQQGTHSA-N 2 2 367.519 0.900 20 0 FCADLP CCCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000969071734 675268387 /nfs/dbraw/zinc/26/83/87/675268387.db2.gz CNSMNZHXTDVLSK-MGPQQGTHSA-N 2 2 367.519 0.900 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCc3ccns3)C2)O1 ZINC001007623844 675297340 /nfs/dbraw/zinc/29/73/40/675297340.db2.gz JRIQAWXIZXUERK-IIAWOOMASA-N 2 2 352.504 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCc3ccns3)C2)O1 ZINC001007623844 675297343 /nfs/dbraw/zinc/29/73/43/675297343.db2.gz JRIQAWXIZXUERK-IIAWOOMASA-N 2 2 352.504 0.985 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCc3ccns3)C2)O1 ZINC001007623844 675297346 /nfs/dbraw/zinc/29/73/46/675297346.db2.gz JRIQAWXIZXUERK-IIAWOOMASA-N 2 2 352.504 0.985 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCc3ccns3)C2)O1 ZINC001007623844 675297347 /nfs/dbraw/zinc/29/73/47/675297347.db2.gz JRIQAWXIZXUERK-IIAWOOMASA-N 2 2 352.504 0.985 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001019031752 675419988 /nfs/dbraw/zinc/41/99/88/675419988.db2.gz XEFJJBTZWQZITD-HZSPNIEDSA-N 2 2 350.467 0.338 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001019031752 675419990 /nfs/dbraw/zinc/41/99/90/675419990.db2.gz XEFJJBTZWQZITD-HZSPNIEDSA-N 2 2 350.467 0.338 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020256836 675438798 /nfs/dbraw/zinc/43/87/98/675438798.db2.gz FQLDGMZHQWPFDV-QSLWVIQJSA-N 2 2 352.460 0.185 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020256836 675438801 /nfs/dbraw/zinc/43/88/01/675438801.db2.gz FQLDGMZHQWPFDV-QSLWVIQJSA-N 2 2 352.460 0.185 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001020286697 675439458 /nfs/dbraw/zinc/43/94/58/675439458.db2.gz JSMCNYWXOKEXEF-RTWAVKEYSA-N 2 2 355.870 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001020286697 675439461 /nfs/dbraw/zinc/43/94/61/675439461.db2.gz JSMCNYWXOKEXEF-RTWAVKEYSA-N 2 2 355.870 0.529 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038395329 675443883 /nfs/dbraw/zinc/44/38/83/675443883.db2.gz DJTULRHUYXXAPA-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038395329 675443884 /nfs/dbraw/zinc/44/38/84/675443884.db2.gz DJTULRHUYXXAPA-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038395329 675443887 /nfs/dbraw/zinc/44/38/87/675443887.db2.gz DJTULRHUYXXAPA-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038395329 675443889 /nfs/dbraw/zinc/44/38/89/675443889.db2.gz DJTULRHUYXXAPA-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CCO2)CC1 ZINC000900596260 675698048 /nfs/dbraw/zinc/69/80/48/675698048.db2.gz ACHOWJFMEYSGJZ-KSZLIROESA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CCO2)CC1 ZINC000900596260 675698050 /nfs/dbraw/zinc/69/80/50/675698050.db2.gz ACHOWJFMEYSGJZ-KSZLIROESA-N 2 2 350.507 0.478 20 0 FCADLP C[C@@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](CC2CC2)C1 ZINC001046506327 675721944 /nfs/dbraw/zinc/72/19/44/675721944.db2.gz RAYLSEGMIDQVBB-ZIFCJYIRSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](CC2CC2)C1 ZINC001046506327 675721945 /nfs/dbraw/zinc/72/19/45/675721945.db2.gz RAYLSEGMIDQVBB-ZIFCJYIRSA-N 2 2 351.491 0.857 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000901212493 675771570 /nfs/dbraw/zinc/77/15/70/675771570.db2.gz MEVPWAVYVJCEAS-INIZCTEOSA-N 2 2 359.536 0.828 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000901212493 675771573 /nfs/dbraw/zinc/77/15/73/675771573.db2.gz MEVPWAVYVJCEAS-INIZCTEOSA-N 2 2 359.536 0.828 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC001020405494 1167782983 /nfs/dbraw/zinc/78/29/83/1167782983.db2.gz SQGMKJUCNQGEGO-FXUDXRNXSA-N 2 2 363.462 0.016 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC001020405494 1167782998 /nfs/dbraw/zinc/78/29/98/1167782998.db2.gz SQGMKJUCNQGEGO-FXUDXRNXSA-N 2 2 363.462 0.016 20 0 FCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001020415302 1167808959 /nfs/dbraw/zinc/80/89/59/1167808959.db2.gz ZCOPENUGTFUFSK-JJXSEGSLSA-N 2 2 371.485 0.725 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000969315797 1167873919 /nfs/dbraw/zinc/87/39/19/1167873919.db2.gz RHFKTAVKBRZKRO-VVLHAWIVSA-N 2 2 359.474 0.815 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000969315797 1167873921 /nfs/dbraw/zinc/87/39/21/1167873921.db2.gz RHFKTAVKBRZKRO-VVLHAWIVSA-N 2 2 359.474 0.815 20 0 FCADLP c1cn(C2CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)c[nH+]1 ZINC001167125579 1168368644 /nfs/dbraw/zinc/36/86/44/1168368644.db2.gz PESJWNQXTNAHCZ-UHFFFAOYSA-N 2 2 355.446 0.954 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@@H]21)[NH+](C)C ZINC001083195872 1168371010 /nfs/dbraw/zinc/37/10/10/1168371010.db2.gz SUELJNNHMPUPCU-YESZJQIVSA-N 2 2 362.474 0.842 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNc1ncnc2c1C[NH+](C)CC2 ZINC001104245057 1168449283 /nfs/dbraw/zinc/44/92/83/1168449283.db2.gz SXLGTOVIIXPRSP-RBSFLKMASA-N 2 2 360.506 0.969 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNc1ncnc2c1C[NH+](C)CC2 ZINC001104245057 1168449288 /nfs/dbraw/zinc/44/92/88/1168449288.db2.gz SXLGTOVIIXPRSP-RBSFLKMASA-N 2 2 360.506 0.969 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104245057 1168449290 /nfs/dbraw/zinc/44/92/90/1168449290.db2.gz SXLGTOVIIXPRSP-RBSFLKMASA-N 2 2 360.506 0.969 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104245057 1168449295 /nfs/dbraw/zinc/44/92/95/1168449295.db2.gz SXLGTOVIIXPRSP-RBSFLKMASA-N 2 2 360.506 0.969 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC000970440093 1168880861 /nfs/dbraw/zinc/88/08/61/1168880861.db2.gz PTHGGILUHWMUGJ-IAOVAPTHSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ncnn2C)O1 ZINC001021296852 1168960264 /nfs/dbraw/zinc/96/02/64/1168960264.db2.gz GLBYWMSDAQSXLB-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ncnn2C)O1 ZINC001021296852 1168960286 /nfs/dbraw/zinc/96/02/86/1168960286.db2.gz GLBYWMSDAQSXLB-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncnn2C)O1 ZINC001021296852 1168960294 /nfs/dbraw/zinc/96/02/94/1168960294.db2.gz GLBYWMSDAQSXLB-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ncnn2C)O1 ZINC001021296852 1168960308 /nfs/dbraw/zinc/96/03/08/1168960308.db2.gz GLBYWMSDAQSXLB-MOTUXRJWSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnn(C)n2)O1 ZINC001021297720 1168965209 /nfs/dbraw/zinc/96/52/09/1168965209.db2.gz UAZDCOHBYGNRGA-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnn(C)n2)O1 ZINC001021297720 1168965234 /nfs/dbraw/zinc/96/52/34/1168965234.db2.gz UAZDCOHBYGNRGA-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(C)n2)O1 ZINC001021297720 1168965249 /nfs/dbraw/zinc/96/52/49/1168965249.db2.gz UAZDCOHBYGNRGA-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(C)n2)O1 ZINC001021297720 1168965262 /nfs/dbraw/zinc/96/52/62/1168965262.db2.gz UAZDCOHBYGNRGA-IBWRZXHSSA-N 2 2 362.478 0.146 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC001021709045 1169906674 /nfs/dbraw/zinc/90/66/74/1169906674.db2.gz PDDXTVYTLMWXLW-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001021712173 1169914796 /nfs/dbraw/zinc/91/47/96/1169914796.db2.gz JLBCTEZDYYEWJH-LSDHHAIUSA-N 2 2 356.430 0.607 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001022010530 1170385327 /nfs/dbraw/zinc/38/53/27/1170385327.db2.gz QLCHMLUUDBNWEG-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001022010530 1170385336 /nfs/dbraw/zinc/38/53/36/1170385336.db2.gz QLCHMLUUDBNWEG-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022038483 1170454717 /nfs/dbraw/zinc/45/47/17/1170454717.db2.gz RFCZFMXJCMZYAO-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022038483 1170454721 /nfs/dbraw/zinc/45/47/21/1170454721.db2.gz RFCZFMXJCMZYAO-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP 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C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000988754130 1192441807 /nfs/dbraw/zinc/44/18/07/1192441807.db2.gz DSXCIUPMBSVUTE-LVQVYYBASA-N 2 2 363.462 0.098 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC000988757438 1192444318 /nfs/dbraw/zinc/44/43/18/1192444318.db2.gz UXGOIBLJUWAXDX-LUYZLQTOSA-N 2 2 363.462 0.016 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC000988757438 1192444324 /nfs/dbraw/zinc/44/43/24/1192444324.db2.gz UXGOIBLJUWAXDX-LUYZLQTOSA-N 2 2 363.462 0.016 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087183223 1171064024 /nfs/dbraw/zinc/06/40/24/1171064024.db2.gz JTCXYYMSAFBGLP-PMPSAXMXSA-N 2 2 371.489 0.991 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001691322922 1171093603 /nfs/dbraw/zinc/09/36/03/1171093603.db2.gz BXVQEQWVPHHBOQ-RBSFLKMASA-N 2 2 365.478 0.254 20 0 FCADLP CN(CC[NH2+]Cc1ccns1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691405768 1171282171 /nfs/dbraw/zinc/28/21/71/1171282171.db2.gz GOBZYTKBBXKYNE-ZBFHGGJFSA-N 2 2 368.503 0.571 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001087193821 1171393606 /nfs/dbraw/zinc/39/36/06/1171393606.db2.gz NSRNALZDXTYGBA-OWCLPIDISA-N 2 2 361.490 0.800 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235279 1171509791 /nfs/dbraw/zinc/50/97/91/1171509791.db2.gz VYWNOSBEJHQCAO-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235279 1171509801 /nfs/dbraw/zinc/50/98/01/1171509801.db2.gz VYWNOSBEJHQCAO-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083238240 1171604083 /nfs/dbraw/zinc/60/40/83/1171604083.db2.gz SUDMGAIDQHNHGQ-IXDOHACOSA-N 2 2 366.506 0.282 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083238240 1171604086 /nfs/dbraw/zinc/60/40/86/1171604086.db2.gz SUDMGAIDQHNHGQ-IXDOHACOSA-N 2 2 366.506 0.282 20 0 FCADLP OCC[C@H]1COCC[NH+]1Cc1ccc(C[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000934287270 1171699928 /nfs/dbraw/zinc/69/99/28/1171699928.db2.gz NWOMEYHERRZFDB-PMACEKPBSA-N 2 2 364.486 0.853 20 0 FCADLP OCC[C@H]1COCC[NH+]1Cc1ccc(C[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000934287270 1171699934 /nfs/dbraw/zinc/69/99/34/1171699934.db2.gz NWOMEYHERRZFDB-PMACEKPBSA-N 2 2 364.486 0.853 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000072697156 1171798521 /nfs/dbraw/zinc/79/85/21/1171798521.db2.gz FDMJSRSEHCWZPD-INIZCTEOSA-N 2 2 371.485 0.721 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022721461 1171814883 /nfs/dbraw/zinc/81/48/83/1171814883.db2.gz QWUFVFBIPWXUBM-UKPHBRMFSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001022721461 1171814884 /nfs/dbraw/zinc/81/48/84/1171814884.db2.gz QWUFVFBIPWXUBM-UKPHBRMFSA-N 2 2 359.474 0.662 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972314759 1171957707 /nfs/dbraw/zinc/95/77/07/1171957707.db2.gz OTCVXDDWYURKHJ-DJIMGWMZSA-N 2 2 357.458 0.353 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000892288737 1172021343 /nfs/dbraw/zinc/02/13/43/1172021343.db2.gz GLBMFMOIBUECPH-ROUUACIJSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000892288737 1172021347 /nfs/dbraw/zinc/02/13/47/1172021347.db2.gz GLBMFMOIBUECPH-ROUUACIJSA-N 2 2 362.474 0.483 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]21 ZINC001083250000 1172030786 /nfs/dbraw/zinc/03/07/86/1172030786.db2.gz NMOVUYVTPOWKKX-RBUKOAKNSA-N 2 2 370.453 0.953 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]21 ZINC001083250000 1172030793 /nfs/dbraw/zinc/03/07/93/1172030793.db2.gz NMOVUYVTPOWKKX-RBUKOAKNSA-N 2 2 370.453 0.953 20 0 FCADLP Cc1nonc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001087226462 1172080727 /nfs/dbraw/zinc/08/07/27/1172080727.db2.gz WDJAURWZPJEHSF-ZBFHGGJFSA-N 2 2 365.478 0.817 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C)[NH+](C)C ZINC000988812083 1192519701 /nfs/dbraw/zinc/51/97/01/1192519701.db2.gz WDJXKVMHYOIKJS-IVMMDQJWSA-N 2 2 365.478 0.796 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000989054352 1192663661 /nfs/dbraw/zinc/66/36/61/1192663661.db2.gz PAPABMLAXSTVJF-HYVNUMGLSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000989054352 1192663663 /nfs/dbraw/zinc/66/36/63/1192663663.db2.gz PAPABMLAXSTVJF-HYVNUMGLSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000989062438 1192667553 /nfs/dbraw/zinc/66/75/53/1192667553.db2.gz WWBRVXFWUIUYNH-OAGGEKHMSA-N 2 2 371.485 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088621081 1192682159 /nfs/dbraw/zinc/68/21/59/1192682159.db2.gz PEOLPSWKYMSQHC-KBMXLJTQSA-N 2 2 359.474 0.960 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088621081 1192682163 /nfs/dbraw/zinc/68/21/63/1192682163.db2.gz PEOLPSWKYMSQHC-KBMXLJTQSA-N 2 2 359.474 0.960 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272167077 1192683777 /nfs/dbraw/zinc/68/37/77/1192683777.db2.gz VEFSMIJLBJVKKQ-INIZCTEOSA-N 2 2 357.458 0.497 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001272167182 1192684079 /nfs/dbraw/zinc/68/40/79/1192684079.db2.gz YQQBFMYJWAQHPQ-IXDOHACOSA-N 2 2 357.458 0.638 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C)n1 ZINC001088674307 1192816266 /nfs/dbraw/zinc/81/62/66/1192816266.db2.gz FIYMZMFYTHMWJI-SKDZVZGDSA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C)n1 ZINC001088674307 1192816267 /nfs/dbraw/zinc/81/62/67/1192816267.db2.gz FIYMZMFYTHMWJI-SKDZVZGDSA-N 2 2 371.489 0.933 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001059973445 1192826817 /nfs/dbraw/zinc/82/68/17/1192826817.db2.gz XEVWVHBERPLUSJ-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001059973445 1192826818 /nfs/dbraw/zinc/82/68/18/1192826818.db2.gz XEVWVHBERPLUSJ-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113879 1192857939 /nfs/dbraw/zinc/85/79/39/1192857939.db2.gz MPOUBHKICUQEMR-GOSISDBHSA-N 2 2 365.518 0.983 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113879 1192857940 /nfs/dbraw/zinc/85/79/40/1192857940.db2.gz MPOUBHKICUQEMR-GOSISDBHSA-N 2 2 365.518 0.983 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000989495179 1192873047 /nfs/dbraw/zinc/87/30/47/1192873047.db2.gz LSSZPPKSABUMEQ-HIFRSBDPSA-N 2 2 363.462 0.169 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)c2)CC1 ZINC000583612696 1179218843 /nfs/dbraw/zinc/21/88/43/1179218843.db2.gz HSLHLIDKQONLTN-QGZVFWFLSA-N 2 2 373.501 0.570 20 0 FCADLP CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450541 1179752921 /nfs/dbraw/zinc/75/29/21/1179752921.db2.gz HBVQNTJHLBNFKP-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450541 1179752933 /nfs/dbraw/zinc/75/29/33/1179752933.db2.gz HBVQNTJHLBNFKP-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450541 1179752940 /nfs/dbraw/zinc/75/29/40/1179752940.db2.gz HBVQNTJHLBNFKP-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001023450541 1179752954 /nfs/dbraw/zinc/75/29/54/1179752954.db2.gz HBVQNTJHLBNFKP-HLLBOEOZSA-N 2 2 364.494 0.345 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734194 1179858879 /nfs/dbraw/zinc/85/88/79/1179858879.db2.gz NGBQRPFLVXZTBD-ZWKOTPCHSA-N 2 2 369.469 0.946 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21 ZINC001083262206 1179896669 /nfs/dbraw/zinc/89/66/69/1179896669.db2.gz IJOPFKXNAKKJFY-ZWKOTPCHSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21 ZINC001083262206 1179896672 /nfs/dbraw/zinc/89/66/72/1179896672.db2.gz IJOPFKXNAKKJFY-ZWKOTPCHSA-N 2 2 362.474 0.833 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21)C1CC1 ZINC000972645119 1180169350 /nfs/dbraw/zinc/16/93/50/1180169350.db2.gz VZPHJWKOVQETGA-IIDMSEBBSA-N 2 2 359.474 0.742 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972725066 1180647538 /nfs/dbraw/zinc/64/75/38/1180647538.db2.gz UIHKCGZVKSQIFJ-GDBMZVCRSA-N 2 2 357.458 0.497 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972725066 1180647575 /nfs/dbraw/zinc/64/75/75/1180647575.db2.gz UIHKCGZVKSQIFJ-GDBMZVCRSA-N 2 2 357.458 0.497 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1 ZINC000972738838 1180685638 /nfs/dbraw/zinc/68/56/38/1180685638.db2.gz IEVQADJIDPZKQD-ZMSDIMECSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC000972738838 1180685656 /nfs/dbraw/zinc/68/56/56/1180685656.db2.gz IEVQADJIDPZKQD-ZMSDIMECSA-N 2 2 359.474 0.743 20 0 FCADLP 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0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CCC[N@@H+](CCn1cncn1)C2 ZINC000981825468 1186539415 /nfs/dbraw/zinc/53/94/15/1186539415.db2.gz GQEPXQUHAFWOIW-HUUCEWRRSA-N 2 2 355.446 0.729 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+]([C@H]2CCCN(C)C2=O)CC1 ZINC000981992792 1186613701 /nfs/dbraw/zinc/61/37/01/1186613701.db2.gz IPELMLGAOPQCTR-OAGGEKHMSA-N 2 2 359.474 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+]([C@H]2CCCN(C)C2=O)CC1 ZINC000981992792 1186613706 /nfs/dbraw/zinc/61/37/06/1186613706.db2.gz IPELMLGAOPQCTR-OAGGEKHMSA-N 2 2 359.474 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000982021827 1186629482 /nfs/dbraw/zinc/62/94/82/1186629482.db2.gz KTEYZECTYCQJID-RBSFLKMASA-N 2 2 357.458 0.337 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCNC1=O)C2 ZINC000982021827 1186629486 /nfs/dbraw/zinc/62/94/86/1186629486.db2.gz KTEYZECTYCQJID-RBSFLKMASA-N 2 2 357.458 0.337 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)c(C)n1 ZINC001075613557 1186649205 /nfs/dbraw/zinc/64/92/05/1186649205.db2.gz GYNBOTVVPSQGLK-USXIJHARSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)c(C)n1 ZINC001075613557 1186649210 /nfs/dbraw/zinc/64/92/10/1186649210.db2.gz GYNBOTVVPSQGLK-USXIJHARSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)c(C)n1 ZINC001075613557 1186649211 /nfs/dbraw/zinc/64/92/11/1186649211.db2.gz GYNBOTVVPSQGLK-USXIJHARSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)c(C)n1 ZINC001075613557 1186649214 /nfs/dbraw/zinc/64/92/14/1186649214.db2.gz GYNBOTVVPSQGLK-USXIJHARSA-N 2 2 359.474 0.921 20 0 FCADLP CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000332778160 1187537436 /nfs/dbraw/zinc/53/74/36/1187537436.db2.gz MVRFQWTXLUSXJA-JFIYKMOQSA-N 2 2 368.522 0.401 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)o1 ZINC001075643696 1187566595 /nfs/dbraw/zinc/56/65/95/1187566595.db2.gz IECFOULNRKRDQH-ZMSDIMECSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)o1 ZINC001075643696 1187566601 /nfs/dbraw/zinc/56/66/01/1187566601.db2.gz IECFOULNRKRDQH-ZMSDIMECSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)o1 ZINC001075643696 1187566608 /nfs/dbraw/zinc/56/66/08/1187566608.db2.gz IECFOULNRKRDQH-ZMSDIMECSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)o1 ZINC001075643696 1187566614 /nfs/dbraw/zinc/56/66/14/1187566614.db2.gz IECFOULNRKRDQH-ZMSDIMECSA-N 2 2 362.474 0.909 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC000982696148 1187619452 /nfs/dbraw/zinc/61/94/52/1187619452.db2.gz OFRHSVKGAKKVKM-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC000982696148 1187619454 /nfs/dbraw/zinc/61/94/54/1187619454.db2.gz OFRHSVKGAKKVKM-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000982777313 1187643005 /nfs/dbraw/zinc/64/30/05/1187643005.db2.gz BFWZYMQZDAEXBN-BZUAXINKSA-N 2 2 370.457 0.693 20 0 FCADLP Cc1cc(C)cc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083373039 1187695092 /nfs/dbraw/zinc/69/50/92/1187695092.db2.gz PQHBIRDYBRHRQB-QYZOEREBSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083373039 1187695100 /nfs/dbraw/zinc/69/51/00/1187695100.db2.gz PQHBIRDYBRHRQB-QYZOEREBSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083373039 1187695112 /nfs/dbraw/zinc/69/51/12/1187695112.db2.gz PQHBIRDYBRHRQB-QYZOEREBSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083373039 1187695121 /nfs/dbraw/zinc/69/51/21/1187695121.db2.gz PQHBIRDYBRHRQB-QYZOEREBSA-N 2 2 361.486 0.938 20 0 FCADLP CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385499 1187714320 /nfs/dbraw/zinc/71/43/20/1187714320.db2.gz PRRKXVLUUDIQEP-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385499 1187714323 /nfs/dbraw/zinc/71/43/23/1187714323.db2.gz PRRKXVLUUDIQEP-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385499 1187714329 /nfs/dbraw/zinc/71/43/29/1187714329.db2.gz PRRKXVLUUDIQEP-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385499 1187714334 /nfs/dbraw/zinc/71/43/34/1187714334.db2.gz PRRKXVLUUDIQEP-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629807 1187758932 /nfs/dbraw/zinc/75/89/32/1187758932.db2.gz SWEPLJXBNJICIN-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629807 1187758935 /nfs/dbraw/zinc/75/89/35/1187758935.db2.gz SWEPLJXBNJICIN-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629807 1187758938 /nfs/dbraw/zinc/75/89/38/1187758938.db2.gz SWEPLJXBNJICIN-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)O1 ZINC001028629807 1187758941 /nfs/dbraw/zinc/75/89/41/1187758941.db2.gz SWEPLJXBNJICIN-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP CC[N@H+](C)CC(=O)N1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001270175183 1188040854 /nfs/dbraw/zinc/04/08/54/1188040854.db2.gz CAJFNUAWULQXGX-GOSISDBHSA-N 2 2 361.446 0.203 20 0 FCADLP CC[N@@H+](C)CC(=O)N1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001270175183 1188040857 /nfs/dbraw/zinc/04/08/57/1188040857.db2.gz CAJFNUAWULQXGX-GOSISDBHSA-N 2 2 361.446 0.203 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488748 1188170917 /nfs/dbraw/zinc/17/09/17/1188170917.db2.gz DJHPKTFRYONEHI-VQIMIIECSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488748 1188170926 /nfs/dbraw/zinc/17/09/26/1188170926.db2.gz DJHPKTFRYONEHI-VQIMIIECSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000550134056 1188232151 /nfs/dbraw/zinc/23/21/51/1188232151.db2.gz WZWXFIUURSAQAZ-CALCHBBNSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000550134056 1188232152 /nfs/dbraw/zinc/23/21/52/1188232152.db2.gz WZWXFIUURSAQAZ-CALCHBBNSA-N 2 2 368.522 0.546 20 0 FCADLP CCc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984016122 1189373339 /nfs/dbraw/zinc/37/33/39/1189373339.db2.gz RJBQHWKJCJURSE-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984016122 1189373345 /nfs/dbraw/zinc/37/33/45/1189373345.db2.gz RJBQHWKJCJURSE-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1c(C)nnn1CC ZINC001087529700 1189384684 /nfs/dbraw/zinc/38/46/84/1189384684.db2.gz QMJNNGAZCCYXMV-ZMSDIMECSA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1c(C)nnn1CC ZINC001087529700 1189384687 /nfs/dbraw/zinc/38/46/87/1189384687.db2.gz QMJNNGAZCCYXMV-ZMSDIMECSA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1c(C)nnn1CC ZINC001087529700 1189384692 /nfs/dbraw/zinc/38/46/92/1189384692.db2.gz QMJNNGAZCCYXMV-ZMSDIMECSA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1c(C)nnn1CC ZINC001087529700 1189384694 /nfs/dbraw/zinc/38/46/94/1189384694.db2.gz QMJNNGAZCCYXMV-ZMSDIMECSA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCn1cncn1 ZINC001087630677 1189681517 /nfs/dbraw/zinc/68/15/17/1189681517.db2.gz SJNUVZHZDCDHSN-HRCADAONSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCn1cncn1 ZINC001087630677 1189681518 /nfs/dbraw/zinc/68/15/18/1189681518.db2.gz SJNUVZHZDCDHSN-HRCADAONSA-N 2 2 357.462 0.706 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550493742 1189706538 /nfs/dbraw/zinc/70/65/38/1189706538.db2.gz KLRJDBPCGFSRAV-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001271142850 1189813585 /nfs/dbraw/zinc/81/35/85/1189813585.db2.gz GRSJEWXECKSXID-APWZRJJASA-N 2 2 359.474 0.818 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271144044 1189815216 /nfs/dbraw/zinc/81/52/16/1189815216.db2.gz RNYDEQZDBHZUDC-LPHOPBHVSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144044 1189815220 /nfs/dbraw/zinc/81/52/20/1189815220.db2.gz RNYDEQZDBHZUDC-LPHOPBHVSA-N 2 2 359.474 0.855 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1C ZINC000895685692 1189875119 /nfs/dbraw/zinc/87/51/19/1189875119.db2.gz NCCXEXOEUGBOMI-INIZCTEOSA-N 2 2 364.490 0.698 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908782 1189894025 /nfs/dbraw/zinc/89/40/25/1189894025.db2.gz NESKMLNIEGJJHM-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908782 1189894030 /nfs/dbraw/zinc/89/40/30/1189894030.db2.gz NESKMLNIEGJJHM-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908782 1189894034 /nfs/dbraw/zinc/89/40/34/1189894034.db2.gz NESKMLNIEGJJHM-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908782 1189894037 /nfs/dbraw/zinc/89/40/37/1189894037.db2.gz NESKMLNIEGJJHM-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920311 1189904959 /nfs/dbraw/zinc/90/49/59/1189904959.db2.gz KRYIVJMLTUAZBV-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920311 1189904963 /nfs/dbraw/zinc/90/49/63/1189904963.db2.gz KRYIVJMLTUAZBV-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920311 1189904974 /nfs/dbraw/zinc/90/49/74/1189904974.db2.gz KRYIVJMLTUAZBV-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920311 1189904978 /nfs/dbraw/zinc/90/49/78/1189904978.db2.gz KRYIVJMLTUAZBV-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920725 1189907142 /nfs/dbraw/zinc/90/71/42/1189907142.db2.gz YPCUIOCMXOOTAR-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920725 1189907148 /nfs/dbraw/zinc/90/71/48/1189907148.db2.gz YPCUIOCMXOOTAR-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920725 1189907157 /nfs/dbraw/zinc/90/71/57/1189907157.db2.gz YPCUIOCMXOOTAR-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920725 1189907161 /nfs/dbraw/zinc/90/71/61/1189907161.db2.gz YPCUIOCMXOOTAR-RYRKJORJSA-N 2 2 359.474 0.396 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001087971707 1190032179 /nfs/dbraw/zinc/03/21/79/1190032179.db2.gz OSOIKISDENDKMG-XHSDSOJGSA-N 2 2 361.490 0.923 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001087971707 1190032186 /nfs/dbraw/zinc/03/21/86/1190032186.db2.gz OSOIKISDENDKMG-XHSDSOJGSA-N 2 2 361.490 0.923 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nncn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972026 1190032742 /nfs/dbraw/zinc/03/27/42/1190032742.db2.gz GQZXOTRNXKVISN-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nncn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972026 1190032749 /nfs/dbraw/zinc/03/27/49/1190032749.db2.gz GQZXOTRNXKVISN-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972026 1190032756 /nfs/dbraw/zinc/03/27/56/1190032756.db2.gz GQZXOTRNXKVISN-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972026 1190032762 /nfs/dbraw/zinc/03/27/62/1190032762.db2.gz GQZXOTRNXKVISN-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[NH+](C)CCN1C ZINC000896562055 1190093408 /nfs/dbraw/zinc/09/34/08/1190093408.db2.gz DBFNRYDFFFLQHX-UHOSZYNNSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[NH+](C)CCN1C ZINC000896562055 1190093410 /nfs/dbraw/zinc/09/34/10/1190093410.db2.gz DBFNRYDFFFLQHX-UHOSZYNNSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1C[N@H+](C)CCN1C ZINC000896562055 1190093412 /nfs/dbraw/zinc/09/34/12/1190093412.db2.gz DBFNRYDFFFLQHX-UHOSZYNNSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1C[N@@H+](C)CCN1C ZINC000896562055 1190093414 /nfs/dbraw/zinc/09/34/14/1190093414.db2.gz DBFNRYDFFFLQHX-UHOSZYNNSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896563005 1190093734 /nfs/dbraw/zinc/09/37/34/1190093734.db2.gz IAKYURHOGFFOBM-SXLOBPIMSA-N 2 2 373.545 0.726 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896563005 1190093736 /nfs/dbraw/zinc/09/37/36/1190093736.db2.gz IAKYURHOGFFOBM-SXLOBPIMSA-N 2 2 373.545 0.726 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986348 1190115243 /nfs/dbraw/zinc/11/52/43/1190115243.db2.gz HHPPVRALKLJTIA-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986348 1190115248 /nfs/dbraw/zinc/11/52/48/1190115248.db2.gz HHPPVRALKLJTIA-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986348 1190115253 /nfs/dbraw/zinc/11/52/53/1190115253.db2.gz HHPPVRALKLJTIA-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986348 1190115257 /nfs/dbraw/zinc/11/52/57/1190115257.db2.gz HHPPVRALKLJTIA-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1)NC1CC1 ZINC001088017208 1190225734 /nfs/dbraw/zinc/22/57/34/1190225734.db2.gz QGMIGDANOZMCKP-XHSDSOJGSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1)NC1CC1 ZINC001088017208 1190225739 /nfs/dbraw/zinc/22/57/39/1190225739.db2.gz QGMIGDANOZMCKP-XHSDSOJGSA-N 2 2 371.485 0.504 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088016982 1190225824 /nfs/dbraw/zinc/22/58/24/1190225824.db2.gz FKWYURPMLDHQQG-BBWFWOEESA-N 2 2 369.473 0.518 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088016982 1190225830 /nfs/dbraw/zinc/22/58/30/1190225830.db2.gz FKWYURPMLDHQQG-BBWFWOEESA-N 2 2 369.473 0.518 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088018803 1190231804 /nfs/dbraw/zinc/23/18/04/1190231804.db2.gz LVRGWXNFNKOJBJ-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001088018803 1190231807 /nfs/dbraw/zinc/23/18/07/1190231807.db2.gz LVRGWXNFNKOJBJ-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984898992 1190239264 /nfs/dbraw/zinc/23/92/64/1190239264.db2.gz VTXKTXMRSYZVRN-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)Cn1c[nH+]cc1C ZINC000984906315 1190249973 /nfs/dbraw/zinc/24/99/73/1190249973.db2.gz WGYMPPIFWPDMEP-JKSUJKDBSA-N 2 2 358.446 0.892 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000984922196 1190275511 /nfs/dbraw/zinc/27/55/11/1190275511.db2.gz YGVHJGOEWAGHAQ-HRCADAONSA-N 2 2 359.474 0.790 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088042696 1190300945 /nfs/dbraw/zinc/30/09/45/1190300945.db2.gz DMUCYKNCQWWPAD-OAGGEKHMSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088042696 1190300950 /nfs/dbraw/zinc/30/09/50/1190300950.db2.gz DMUCYKNCQWWPAD-OAGGEKHMSA-N 2 2 357.462 0.862 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC1 ZINC001088150839 1190675692 /nfs/dbraw/zinc/67/56/92/1190675692.db2.gz YTZVBOLTBIWPAP-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](Cc4cn(C)nn4)CC[C@@H]3C2)CC1 ZINC001088150839 1190675702 /nfs/dbraw/zinc/67/57/02/1190675702.db2.gz YTZVBOLTBIWPAP-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757056 1224114108 /nfs/dbraw/zinc/11/41/08/1224114108.db2.gz NLGXTFZAXLAZOG-IFXJQAMLSA-N 2 2 365.474 0.873 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757056 1224114109 /nfs/dbraw/zinc/11/41/09/1224114109.db2.gz NLGXTFZAXLAZOG-IFXJQAMLSA-N 2 2 365.474 0.873 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276756978 1224114442 /nfs/dbraw/zinc/11/44/42/1224114442.db2.gz KRTWCTHCXFBOMT-IBGZPJMESA-N 2 2 367.490 0.583 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276756978 1224114444 /nfs/dbraw/zinc/11/44/44/1224114444.db2.gz KRTWCTHCXFBOMT-IBGZPJMESA-N 2 2 367.490 0.583 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986284254 1190945592 /nfs/dbraw/zinc/94/55/92/1190945592.db2.gz ZXBHCAJFDNVWQZ-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)CC[N@H+]1C ZINC000986284254 1190945594 /nfs/dbraw/zinc/94/55/94/1190945594.db2.gz ZXBHCAJFDNVWQZ-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986284254 1190945599 /nfs/dbraw/zinc/94/55/99/1190945599.db2.gz ZXBHCAJFDNVWQZ-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)CC[N@H+]1C ZINC000986284254 1190945602 /nfs/dbraw/zinc/94/56/02/1190945602.db2.gz ZXBHCAJFDNVWQZ-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1)[NH+](C)C ZINC000986320985 1190955290 /nfs/dbraw/zinc/95/52/90/1190955290.db2.gz LNIXVCNQJPYWPZ-HLLBOEOZSA-N 2 2 361.490 0.908 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986366659 1190971354 /nfs/dbraw/zinc/97/13/54/1190971354.db2.gz IIFFEZGMGXQJPX-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986366659 1190971356 /nfs/dbraw/zinc/97/13/56/1190971356.db2.gz IIFFEZGMGXQJPX-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000986403915 1190974573 /nfs/dbraw/zinc/97/45/73/1190974573.db2.gz RARMTYUDSOEMIG-SJORKVTESA-N 2 2 370.457 0.704 20 0 FCADLP Cn1cnnc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276758118 1224119809 /nfs/dbraw/zinc/11/98/09/1224119809.db2.gz UVWOADDXIJWTOM-QGZVFWFLSA-N 2 2 357.418 0.053 20 0 FCADLP Cn1cnnc1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276758118 1224119810 /nfs/dbraw/zinc/11/98/10/1224119810.db2.gz UVWOADDXIJWTOM-QGZVFWFLSA-N 2 2 357.418 0.053 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986418823 1190984101 /nfs/dbraw/zinc/98/41/01/1190984101.db2.gz PAQOKMOUSSXZIZ-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986418823 1190984104 /nfs/dbraw/zinc/98/41/04/1190984104.db2.gz PAQOKMOUSSXZIZ-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276759019 1224122606 /nfs/dbraw/zinc/12/26/06/1224122606.db2.gz XYVHSEHZLFGTEM-HNAYVOBHSA-N 2 2 367.490 0.583 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276759019 1224122608 /nfs/dbraw/zinc/12/26/08/1224122608.db2.gz XYVHSEHZLFGTEM-HNAYVOBHSA-N 2 2 367.490 0.583 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC001088505780 1191062644 /nfs/dbraw/zinc/06/26/44/1191062644.db2.gz UVFWUEAREVRTRS-PVAVHDDUSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC001088505780 1191062647 /nfs/dbraw/zinc/06/26/47/1191062647.db2.gz UVFWUEAREVRTRS-PVAVHDDUSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccnc(N(C)C)c1 ZINC001088505780 1191062651 /nfs/dbraw/zinc/06/26/51/1191062651.db2.gz UVFWUEAREVRTRS-PVAVHDDUSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccnc(N(C)C)c1 ZINC001088505780 1191062655 /nfs/dbraw/zinc/06/26/55/1191062655.db2.gz UVFWUEAREVRTRS-PVAVHDDUSA-N 2 2 361.490 0.557 20 0 FCADLP CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276762434 1224128516 /nfs/dbraw/zinc/12/85/16/1224128516.db2.gz LEQQMSVDMOQCKX-HNAYVOBHSA-N 2 2 364.490 0.400 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151773652 1191187124 /nfs/dbraw/zinc/18/71/24/1191187124.db2.gz PGSUJPDUYLLUCP-HNNXBMFYSA-N 2 2 354.458 0.909 20 0 FCADLP CCOCCN1CCC2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001276764499 1224133825 /nfs/dbraw/zinc/13/38/25/1224133825.db2.gz WKCMVHDQXZWYKW-UHFFFAOYSA-N 2 2 366.506 0.111 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109345 1224140658 /nfs/dbraw/zinc/14/06/58/1224140658.db2.gz NNNYOTZHUOARGU-IXDOHACOSA-N 2 2 366.506 0.426 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109345 1224140660 /nfs/dbraw/zinc/14/06/60/1224140660.db2.gz NNNYOTZHUOARGU-IXDOHACOSA-N 2 2 366.506 0.426 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218109345 1224140665 /nfs/dbraw/zinc/14/06/65/1224140665.db2.gz NNNYOTZHUOARGU-IXDOHACOSA-N 2 2 366.506 0.426 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218109345 1224140669 /nfs/dbraw/zinc/14/06/69/1224140669.db2.gz NNNYOTZHUOARGU-IXDOHACOSA-N 2 2 366.506 0.426 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001218305996 1224153048 /nfs/dbraw/zinc/15/30/48/1224153048.db2.gz JUSQWFUXADVJEP-ZWKOTPCHSA-N 2 2 362.474 0.920 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001218305996 1224153049 /nfs/dbraw/zinc/15/30/49/1224153049.db2.gz JUSQWFUXADVJEP-ZWKOTPCHSA-N 2 2 362.474 0.920 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550663925 1193728555 /nfs/dbraw/zinc/72/85/55/1193728555.db2.gz OJQWTPPASMCTGD-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)ccn1 ZINC001083465640 1193793550 /nfs/dbraw/zinc/79/35/50/1193793550.db2.gz MDBUIICCFQYGDS-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)ccn1 ZINC001083465640 1193793554 /nfs/dbraw/zinc/79/35/54/1193793554.db2.gz MDBUIICCFQYGDS-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cn1 ZINC001083465745 1193794864 /nfs/dbraw/zinc/79/48/64/1193794864.db2.gz PTLJXYGOLCEBLD-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cn1 ZINC001083465745 1193794868 /nfs/dbraw/zinc/79/48/68/1193794868.db2.gz PTLJXYGOLCEBLD-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1)NC1CC1 ZINC001075948741 1193825173 /nfs/dbraw/zinc/82/51/73/1193825173.db2.gz GITHPPVOPBBLJS-YVEFUNNKSA-N 2 2 353.426 0.988 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1)NC1CC1 ZINC001075948741 1193825177 /nfs/dbraw/zinc/82/51/77/1193825177.db2.gz GITHPPVOPBBLJS-YVEFUNNKSA-N 2 2 353.426 0.988 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000551047225 1193829567 /nfs/dbraw/zinc/82/95/67/1193829567.db2.gz ZOSIWPIYLPBXIP-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000551047225 1193829569 /nfs/dbraw/zinc/82/95/69/1193829569.db2.gz ZOSIWPIYLPBXIP-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000551046631 1193829805 /nfs/dbraw/zinc/82/98/05/1193829805.db2.gz IQWVCRCQQYXWAK-HNNXBMFYSA-N 2 2 357.458 0.808 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105622889 1193841414 /nfs/dbraw/zinc/84/14/14/1193841414.db2.gz JSYUOJJXCXYEGB-VVWQDTPRSA-N 2 2 364.490 0.691 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284432 1193848124 /nfs/dbraw/zinc/84/81/24/1193848124.db2.gz PKBQUCGUBNUOFN-HNNXBMFYSA-N 2 2 359.474 0.727 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000551346774 1193851547 /nfs/dbraw/zinc/85/15/47/1193851547.db2.gz DKSSKZHTUBNTEF-INIZCTEOSA-N 2 2 361.490 0.677 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000551346774 1193851548 /nfs/dbraw/zinc/85/15/48/1193851548.db2.gz DKSSKZHTUBNTEF-INIZCTEOSA-N 2 2 361.490 0.677 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105654836 1193858915 /nfs/dbraw/zinc/85/89/15/1193858915.db2.gz BUWUFVDWDLZMGD-FPAYPSAMSA-N 2 2 364.490 0.955 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654837 1193859158 /nfs/dbraw/zinc/85/91/58/1193859158.db2.gz BUWUFVDWDLZMGD-PSBWJHGTSA-N 2 2 364.490 0.955 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105655602 1193859818 /nfs/dbraw/zinc/85/98/18/1193859818.db2.gz JIEJUBDHZLFCEQ-ZAWLATJESA-N 2 2 364.490 0.955 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075961477 1193883590 /nfs/dbraw/zinc/88/35/90/1193883590.db2.gz PLZLNOHYDNEHRC-XYJFISCASA-N 2 2 354.458 0.912 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075961477 1193883592 /nfs/dbraw/zinc/88/35/92/1193883592.db2.gz PLZLNOHYDNEHRC-XYJFISCASA-N 2 2 354.458 0.912 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075965820 1193885257 /nfs/dbraw/zinc/88/52/57/1193885257.db2.gz FDOMDTMRAGMCLB-XYJFISCASA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075965820 1193885258 /nfs/dbraw/zinc/88/52/58/1193885258.db2.gz FDOMDTMRAGMCLB-XYJFISCASA-N 2 2 368.485 0.954 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474431 1193906799 /nfs/dbraw/zinc/90/67/99/1193906799.db2.gz GXGHCIUNHCTCEA-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@@H]2O)CC[N@H+]1C ZINC001083474431 1193906805 /nfs/dbraw/zinc/90/68/05/1193906805.db2.gz GXGHCIUNHCTCEA-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@@H]2O)CC[NH+]1C ZINC001083474431 1193906808 /nfs/dbraw/zinc/90/68/08/1193906808.db2.gz GXGHCIUNHCTCEA-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@@H]2O)CC[NH+]1C ZINC001083474431 1193906815 /nfs/dbraw/zinc/90/68/15/1193906815.db2.gz GXGHCIUNHCTCEA-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474412 1193907353 /nfs/dbraw/zinc/90/73/53/1193907353.db2.gz FVNIQHPZEGSITP-LIRZEXBASA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474412 1193907354 /nfs/dbraw/zinc/90/73/54/1193907354.db2.gz FVNIQHPZEGSITP-LIRZEXBASA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474412 1193907360 /nfs/dbraw/zinc/90/73/60/1193907360.db2.gz FVNIQHPZEGSITP-LIRZEXBASA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474412 1193907364 /nfs/dbraw/zinc/90/73/64/1193907364.db2.gz FVNIQHPZEGSITP-LIRZEXBASA-N 2 2 364.490 0.937 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581778 1224177594 /nfs/dbraw/zinc/17/75/94/1224177594.db2.gz JPAXDCIETHXKON-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581778 1224177602 /nfs/dbraw/zinc/17/76/02/1224177602.db2.gz JPAXDCIETHXKON-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105670096 1193998802 /nfs/dbraw/zinc/99/88/02/1193998802.db2.gz XTOPXPGJTPURBA-FPAYPSAMSA-N 2 2 364.490 0.873 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088791894 1194001627 /nfs/dbraw/zinc/00/16/27/1194001627.db2.gz IVGOMRFJZZTOCD-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088791894 1194001628 /nfs/dbraw/zinc/00/16/28/1194001628.db2.gz IVGOMRFJZZTOCD-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000842194561 1194087374 /nfs/dbraw/zinc/08/73/74/1194087374.db2.gz OKULJMOZRZPUIO-CQSZACIVSA-N 2 2 361.490 0.549 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105674282 1194087987 /nfs/dbraw/zinc/08/79/87/1194087987.db2.gz VLZBGYMHIBLREK-FPAYPSAMSA-N 2 2 364.490 0.886 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521749 1194136829 /nfs/dbraw/zinc/13/68/29/1194136829.db2.gz GBTCIXVKLFDPMM-BBWFWOEESA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521749 1194136834 /nfs/dbraw/zinc/13/68/34/1194136834.db2.gz GBTCIXVKLFDPMM-BBWFWOEESA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521749 1194136837 /nfs/dbraw/zinc/13/68/37/1194136837.db2.gz GBTCIXVKLFDPMM-BBWFWOEESA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083521749 1194136842 /nfs/dbraw/zinc/13/68/42/1194136842.db2.gz GBTCIXVKLFDPMM-BBWFWOEESA-N 2 2 364.490 0.931 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029224 1194254039 /nfs/dbraw/zinc/25/40/39/1194254039.db2.gz INERRNJDAHFPMG-WMLDXEAASA-N 2 2 368.441 0.502 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029224 1194254040 /nfs/dbraw/zinc/25/40/40/1194254040.db2.gz INERRNJDAHFPMG-WMLDXEAASA-N 2 2 368.441 0.502 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076079061 1194300666 /nfs/dbraw/zinc/30/06/66/1194300666.db2.gz CDQLFLPWLXJTTG-ARFHVFGLSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076079061 1194300672 /nfs/dbraw/zinc/30/06/72/1194300672.db2.gz CDQLFLPWLXJTTG-ARFHVFGLSA-N 2 2 369.473 0.664 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076079203 1194300969 /nfs/dbraw/zinc/30/09/69/1194300969.db2.gz JQRVEFSAVCATEP-ARFHVFGLSA-N 2 2 359.474 0.506 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076079203 1194300971 /nfs/dbraw/zinc/30/09/71/1194300971.db2.gz JQRVEFSAVCATEP-ARFHVFGLSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)cc1=O ZINC001076106280 1194308930 /nfs/dbraw/zinc/30/89/30/1194308930.db2.gz YFGQVIITZGUSHM-DLBZAZTESA-N 2 2 355.442 0.705 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)cc1=O ZINC001076106280 1194308933 /nfs/dbraw/zinc/30/89/33/1194308933.db2.gz YFGQVIITZGUSHM-DLBZAZTESA-N 2 2 355.442 0.705 20 0 FCADLP CCOCCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794217 1224207624 /nfs/dbraw/zinc/20/76/24/1224207624.db2.gz DZBNKCZKHZBZLS-VQIMIIECSA-N 2 2 371.522 0.323 20 0 FCADLP CCOCCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794217 1224207628 /nfs/dbraw/zinc/20/76/28/1224207628.db2.gz DZBNKCZKHZBZLS-VQIMIIECSA-N 2 2 371.522 0.323 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794899 1224213978 /nfs/dbraw/zinc/21/39/78/1224213978.db2.gz ULMIBXLNWCASCB-APWZRJJASA-N 2 2 371.522 0.813 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794899 1224213984 /nfs/dbraw/zinc/21/39/84/1224213984.db2.gz ULMIBXLNWCASCB-APWZRJJASA-N 2 2 371.522 0.813 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407560 1194453386 /nfs/dbraw/zinc/45/33/86/1194453386.db2.gz KOZWQLRXYDQODN-WMLDXEAASA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407560 1194453391 /nfs/dbraw/zinc/45/33/91/1194453391.db2.gz KOZWQLRXYDQODN-WMLDXEAASA-N 2 2 363.462 0.522 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568851 1194574524 /nfs/dbraw/zinc/57/45/24/1194574524.db2.gz APKUBOFQMZFVSH-GRDNDAEWSA-N 2 2 360.458 0.732 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568851 1194574527 /nfs/dbraw/zinc/57/45/27/1194574527.db2.gz APKUBOFQMZFVSH-GRDNDAEWSA-N 2 2 360.458 0.732 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568851 1194574532 /nfs/dbraw/zinc/57/45/32/1194574532.db2.gz APKUBOFQMZFVSH-GRDNDAEWSA-N 2 2 360.458 0.732 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568851 1194574536 /nfs/dbraw/zinc/57/45/36/1194574536.db2.gz APKUBOFQMZFVSH-GRDNDAEWSA-N 2 2 360.458 0.732 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795655 1224226855 /nfs/dbraw/zinc/22/68/55/1224226855.db2.gz NZEXRPOSQBNGBA-APWZRJJASA-N 2 2 363.506 0.736 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001076632536 1194606299 /nfs/dbraw/zinc/60/62/99/1194606299.db2.gz GSJPFPMYGJXORK-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001076632536 1194606303 /nfs/dbraw/zinc/60/63/03/1194606303.db2.gz GSJPFPMYGJXORK-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076633579 1194606349 /nfs/dbraw/zinc/60/63/49/1194606349.db2.gz VCXCBAFSJVAJQM-USXIJHARSA-N 2 2 357.458 0.569 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076633579 1194606352 /nfs/dbraw/zinc/60/63/52/1194606352.db2.gz VCXCBAFSJVAJQM-USXIJHARSA-N 2 2 357.458 0.569 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001076811602 1195034255 /nfs/dbraw/zinc/03/42/55/1195034255.db2.gz RCALZJKWKYEGPL-KZNAEPCWSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001076811602 1195034259 /nfs/dbraw/zinc/03/42/59/1195034259.db2.gz RCALZJKWKYEGPL-KZNAEPCWSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076811602 1195034264 /nfs/dbraw/zinc/03/42/64/1195034264.db2.gz RCALZJKWKYEGPL-KZNAEPCWSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076811602 1195034269 /nfs/dbraw/zinc/03/42/69/1195034269.db2.gz RCALZJKWKYEGPL-KZNAEPCWSA-N 2 2 360.458 0.401 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCc4ccnn4C)C[C@H]3O)ccn12 ZINC001076996833 1195135235 /nfs/dbraw/zinc/13/52/35/1195135235.db2.gz PWJAKBSPWRXLTQ-IAGOWNOFSA-N 2 2 368.441 0.394 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@H]3O)ccn12 ZINC001076996833 1195135239 /nfs/dbraw/zinc/13/52/39/1195135239.db2.gz PWJAKBSPWRXLTQ-IAGOWNOFSA-N 2 2 368.441 0.394 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077130920 1195246573 /nfs/dbraw/zinc/24/65/73/1195246573.db2.gz JJTATUOMIAZYDF-KZNAEPCWSA-N 2 2 370.453 0.614 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077130920 1195246577 /nfs/dbraw/zinc/24/65/77/1195246577.db2.gz JJTATUOMIAZYDF-KZNAEPCWSA-N 2 2 370.453 0.614 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1F ZINC001083565332 1195262555 /nfs/dbraw/zinc/26/25/55/1195262555.db2.gz MQSNAYKAQMLHGS-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1F ZINC001083565332 1195262559 /nfs/dbraw/zinc/26/25/59/1195262559.db2.gz MQSNAYKAQMLHGS-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1F ZINC001083565332 1195262561 /nfs/dbraw/zinc/26/25/61/1195262561.db2.gz MQSNAYKAQMLHGS-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1F ZINC001083565332 1195262563 /nfs/dbraw/zinc/26/25/63/1195262563.db2.gz MQSNAYKAQMLHGS-NKGKWGDASA-N 2 2 365.449 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)c[nH+]1 ZINC001077217859 1195327230 /nfs/dbraw/zinc/32/72/30/1195327230.db2.gz HHEQTYQUUHUIRC-IAGOWNOFSA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)c[nH+]1 ZINC001077217859 1195327234 /nfs/dbraw/zinc/32/72/34/1195327234.db2.gz HHEQTYQUUHUIRC-IAGOWNOFSA-N 2 2 364.490 0.905 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965256 1224273957 /nfs/dbraw/zinc/27/39/57/1224273957.db2.gz IHWVLYIDPFSQFP-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965256 1224273961 /nfs/dbraw/zinc/27/39/61/1224273961.db2.gz IHWVLYIDPFSQFP-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218965256 1224273964 /nfs/dbraw/zinc/27/39/64/1224273964.db2.gz IHWVLYIDPFSQFP-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965256 1224273968 /nfs/dbraw/zinc/27/39/68/1224273968.db2.gz IHWVLYIDPFSQFP-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218964919 1224274204 /nfs/dbraw/zinc/27/42/04/1224274204.db2.gz AGADCLYEEVBWAG-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218964919 1224274211 /nfs/dbraw/zinc/27/42/11/1224274211.db2.gz AGADCLYEEVBWAG-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218964919 1224274218 /nfs/dbraw/zinc/27/42/18/1224274218.db2.gz AGADCLYEEVBWAG-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218964919 1224274226 /nfs/dbraw/zinc/27/42/26/1224274226.db2.gz AGADCLYEEVBWAG-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC001218971006 1224274712 /nfs/dbraw/zinc/27/47/12/1224274712.db2.gz QXZFKFUYNDWKJY-ZWKOTPCHSA-N 2 2 365.449 0.816 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC001218971006 1224274716 /nfs/dbraw/zinc/27/47/16/1224274716.db2.gz QXZFKFUYNDWKJY-ZWKOTPCHSA-N 2 2 365.449 0.816 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cn1 ZINC001083570545 1195371897 /nfs/dbraw/zinc/37/18/97/1195371897.db2.gz BWZGTCARLFTTKG-MSOLQXFVSA-N 2 2 368.441 0.797 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cn1 ZINC001083570545 1195371898 /nfs/dbraw/zinc/37/18/98/1195371898.db2.gz BWZGTCARLFTTKG-MSOLQXFVSA-N 2 2 368.441 0.797 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)no1 ZINC001077275155 1195375264 /nfs/dbraw/zinc/37/52/64/1195375264.db2.gz UJCURBSPFBHZST-IAGOWNOFSA-N 2 2 366.462 0.328 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)no1 ZINC001077275155 1195375268 /nfs/dbraw/zinc/37/52/68/1195375268.db2.gz UJCURBSPFBHZST-IAGOWNOFSA-N 2 2 366.462 0.328 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CCC1 ZINC001077275130 1195375654 /nfs/dbraw/zinc/37/56/54/1195375654.db2.gz SNHPFRWSMCBNPC-ZACQAIPSSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CCC1 ZINC001077275130 1195375658 /nfs/dbraw/zinc/37/56/58/1195375658.db2.gz SNHPFRWSMCBNPC-ZACQAIPSSA-N 2 2 366.462 0.326 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)no1 ZINC001077275095 1195375879 /nfs/dbraw/zinc/37/58/79/1195375879.db2.gz RMOBBFNNGXDILC-KBRIMQKVSA-N 2 2 366.462 0.328 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)no1 ZINC001077275095 1195375883 /nfs/dbraw/zinc/37/58/83/1195375883.db2.gz RMOBBFNNGXDILC-KBRIMQKVSA-N 2 2 366.462 0.328 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cn1 ZINC001083570751 1195376230 /nfs/dbraw/zinc/37/62/30/1195376230.db2.gz MZDQSYIAFOZSEM-SJORKVTESA-N 2 2 354.414 0.314 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cn1 ZINC001083570751 1195376236 /nfs/dbraw/zinc/37/62/36/1195376236.db2.gz MZDQSYIAFOZSEM-SJORKVTESA-N 2 2 354.414 0.314 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573680 1195437351 /nfs/dbraw/zinc/43/73/51/1195437351.db2.gz RAILWBISXDBPQT-QRVBRYPASA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573680 1195437357 /nfs/dbraw/zinc/43/73/57/1195437357.db2.gz RAILWBISXDBPQT-QRVBRYPASA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083573680 1195437363 /nfs/dbraw/zinc/43/73/63/1195437363.db2.gz RAILWBISXDBPQT-QRVBRYPASA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083573680 1195437367 /nfs/dbraw/zinc/43/73/67/1195437367.db2.gz RAILWBISXDBPQT-QRVBRYPASA-N 2 2 360.502 0.898 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396023 1195493746 /nfs/dbraw/zinc/49/37/46/1195493746.db2.gz KXHVTVRHSCGOOO-IAGOWNOFSA-N 2 2 354.414 0.351 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396023 1195493752 /nfs/dbraw/zinc/49/37/52/1195493752.db2.gz KXHVTVRHSCGOOO-IAGOWNOFSA-N 2 2 354.414 0.351 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083581651 1195533132 /nfs/dbraw/zinc/53/31/32/1195533132.db2.gz FFXFVRJYBFRWOU-BBWFWOEESA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083581651 1195533137 /nfs/dbraw/zinc/53/31/37/1195533137.db2.gz FFXFVRJYBFRWOU-BBWFWOEESA-N 2 2 362.474 0.424 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591179 1195589953 /nfs/dbraw/zinc/58/99/53/1195589953.db2.gz PMVCCTBGTGLOCQ-SJORKVTESA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591179 1195589955 /nfs/dbraw/zinc/58/99/55/1195589955.db2.gz PMVCCTBGTGLOCQ-SJORKVTESA-N 2 2 371.441 0.038 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591678 1195591577 /nfs/dbraw/zinc/59/15/77/1195591577.db2.gz RDLDZHGINZRHJH-CVEARBPZSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591678 1195591581 /nfs/dbraw/zinc/59/15/81/1195591581.db2.gz RDLDZHGINZRHJH-CVEARBPZSA-N 2 2 355.398 0.914 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906672334 1195643537 /nfs/dbraw/zinc/64/35/37/1195643537.db2.gz LLHCPPYSDSDERB-UHFFFAOYSA-N 2 2 363.506 0.188 20 0 FCADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000907067430 1195678593 /nfs/dbraw/zinc/67/85/93/1195678593.db2.gz GMKRDKHDWCRJFK-QGZVFWFLSA-N 2 2 364.490 0.397 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908202930 1195733463 /nfs/dbraw/zinc/73/34/63/1195733463.db2.gz PLZRADXFEJWYSE-SJORKVTESA-N 2 2 362.474 0.101 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908202930 1195733469 /nfs/dbraw/zinc/73/34/69/1195733469.db2.gz PLZRADXFEJWYSE-SJORKVTESA-N 2 2 362.474 0.101 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630574 1195801754 /nfs/dbraw/zinc/80/17/54/1195801754.db2.gz CYLAMCZKHDGOSN-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630574 1195801755 /nfs/dbraw/zinc/80/17/55/1195801755.db2.gz CYLAMCZKHDGOSN-MSOLQXFVSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630949 1195802419 /nfs/dbraw/zinc/80/24/19/1195802419.db2.gz WBCCFKNWVRSGIX-MSOLQXFVSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630949 1195802423 /nfs/dbraw/zinc/80/24/23/1195802423.db2.gz WBCCFKNWVRSGIX-MSOLQXFVSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633320 1195806293 /nfs/dbraw/zinc/80/62/93/1195806293.db2.gz RRWBUQHICUJTTO-NXHRZFHOSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633320 1195806296 /nfs/dbraw/zinc/80/62/96/1195806296.db2.gz RRWBUQHICUJTTO-NXHRZFHOSA-N 2 2 371.441 0.611 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033689 1224305122 /nfs/dbraw/zinc/30/51/22/1224305122.db2.gz SCONIHHQLRUWBX-HRCADAONSA-N 2 2 363.462 0.147 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033689 1224305128 /nfs/dbraw/zinc/30/51/28/1224305128.db2.gz SCONIHHQLRUWBX-HRCADAONSA-N 2 2 363.462 0.147 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033910 1224307944 /nfs/dbraw/zinc/30/79/44/1224307944.db2.gz YTLWGFMNHJEXIW-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033910 1224307953 /nfs/dbraw/zinc/30/79/53/1224307953.db2.gz YTLWGFMNHJEXIW-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000911033275 1195881749 /nfs/dbraw/zinc/88/17/49/1195881749.db2.gz YXYSTPXMJGREOG-BBWFWOEESA-N 2 2 366.506 0.394 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000911227205 1195923972 /nfs/dbraw/zinc/92/39/72/1195923972.db2.gz AQBYALOZEAMESV-INIZCTEOSA-N 2 2 369.469 0.907 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1)C1CC1 ZINC001219054467 1224323688 /nfs/dbraw/zinc/32/36/88/1224323688.db2.gz CXFFZQMSASDMKZ-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1)C1CC1 ZINC001219054467 1224323693 /nfs/dbraw/zinc/32/36/93/1224323693.db2.gz CXFFZQMSASDMKZ-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1)C1CC1 ZINC001219054467 1224323702 /nfs/dbraw/zinc/32/37/02/1224323702.db2.gz CXFFZQMSASDMKZ-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1)C1CC1 ZINC001219054467 1224323709 /nfs/dbraw/zinc/32/37/09/1224323709.db2.gz CXFFZQMSASDMKZ-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358242 1196319022 /nfs/dbraw/zinc/31/90/22/1196319022.db2.gz IAQRTIZPBLDCMF-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358242 1196319029 /nfs/dbraw/zinc/31/90/29/1196319029.db2.gz IAQRTIZPBLDCMF-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cncn2C)CC3)O1 ZINC000991358242 1196319036 /nfs/dbraw/zinc/31/90/36/1196319036.db2.gz IAQRTIZPBLDCMF-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358242 1196319040 /nfs/dbraw/zinc/31/90/40/1196319040.db2.gz IAQRTIZPBLDCMF-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363935 1196327220 /nfs/dbraw/zinc/32/72/20/1196327220.db2.gz ZXIUKJSIFAEEFR-OAFZBRQQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363935 1196327225 /nfs/dbraw/zinc/32/72/25/1196327225.db2.gz ZXIUKJSIFAEEFR-OAFZBRQQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363935 1196327227 /nfs/dbraw/zinc/32/72/27/1196327227.db2.gz ZXIUKJSIFAEEFR-OAFZBRQQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363935 1196327231 /nfs/dbraw/zinc/32/72/31/1196327231.db2.gz ZXIUKJSIFAEEFR-OAFZBRQQSA-N 2 2 364.490 0.051 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668175 1196389558 /nfs/dbraw/zinc/38/95/58/1196389558.db2.gz FZYSTEJCJYZFDZ-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668175 1196389562 /nfs/dbraw/zinc/38/95/62/1196389562.db2.gz FZYSTEJCJYZFDZ-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP COCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001105714402 1196474340 /nfs/dbraw/zinc/47/43/40/1196474340.db2.gz XHLDRCDUPYVDHB-CRAIPNDOSA-N 2 2 369.506 0.434 20 0 FCADLP COCCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001105714402 1196474346 /nfs/dbraw/zinc/47/43/46/1196474346.db2.gz XHLDRCDUPYVDHB-CRAIPNDOSA-N 2 2 369.506 0.434 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@@H]([C@H]4CCCOC4)C3=O)CC2)CC1 ZINC000349394907 1196491360 /nfs/dbraw/zinc/49/13/60/1196491360.db2.gz WQFIKZCZKPACTB-YOEHRIQHSA-N 2 2 364.490 0.892 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203949 1196547316 /nfs/dbraw/zinc/54/73/16/1196547316.db2.gz HZMCODZTASGEOF-ZACQAIPSSA-N 2 2 363.458 0.261 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203949 1196547319 /nfs/dbraw/zinc/54/73/19/1196547319.db2.gz HZMCODZTASGEOF-ZACQAIPSSA-N 2 2 363.458 0.261 20 0 FCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592564487 1196569317 /nfs/dbraw/zinc/56/93/17/1196569317.db2.gz MEJSLSGNDHTIEY-HOTGVXAUSA-N 2 2 361.490 0.902 20 0 FCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592564487 1196569319 /nfs/dbraw/zinc/56/93/19/1196569319.db2.gz MEJSLSGNDHTIEY-HOTGVXAUSA-N 2 2 361.490 0.902 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000592564077 1196569432 /nfs/dbraw/zinc/56/94/32/1196569432.db2.gz DZPILUIWNWLTQC-INMHGKMJSA-N 2 2 361.490 0.902 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000593918656 1196671018 /nfs/dbraw/zinc/67/10/18/1196671018.db2.gz FGRHHPDMJWRANY-HNNXBMFYSA-N 2 2 365.478 0.140 20 0 FCADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000761084568 1196740319 /nfs/dbraw/zinc/74/03/19/1196740319.db2.gz ZPISNTZLMHZRRX-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000761084568 1196740330 /nfs/dbraw/zinc/74/03/30/1196740330.db2.gz ZPISNTZLMHZRRX-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039227 1196872481 /nfs/dbraw/zinc/87/24/81/1196872481.db2.gz AYXDHIJTZHFEHI-CPUCHLNUSA-N 2 2 360.458 0.861 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039227 1196872483 /nfs/dbraw/zinc/87/24/83/1196872483.db2.gz AYXDHIJTZHFEHI-CPUCHLNUSA-N 2 2 360.458 0.861 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039227 1196872484 /nfs/dbraw/zinc/87/24/84/1196872484.db2.gz AYXDHIJTZHFEHI-CPUCHLNUSA-N 2 2 360.458 0.861 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039227 1196872486 /nfs/dbraw/zinc/87/24/86/1196872486.db2.gz AYXDHIJTZHFEHI-CPUCHLNUSA-N 2 2 360.458 0.861 20 0 FCADLP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219170533 1224373081 /nfs/dbraw/zinc/37/30/81/1224373081.db2.gz UEIYLGVNYSFNAL-CLCXKQKWSA-N 2 2 374.441 0.470 20 0 FCADLP C[NH+]1CCC(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000992203638 1197015048 /nfs/dbraw/zinc/01/50/48/1197015048.db2.gz UGPPQKCXTOGSJY-AHNOJICISA-N 2 2 359.474 0.866 20 0 FCADLP C[NH+]1CCC(C(=O)NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000992203638 1197015051 /nfs/dbraw/zinc/01/50/51/1197015051.db2.gz UGPPQKCXTOGSJY-AHNOJICISA-N 2 2 359.474 0.866 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992238206 1197029719 /nfs/dbraw/zinc/02/97/19/1197029719.db2.gz DBNZKEVVPNETRF-NPNMTCQASA-N 2 2 359.474 0.725 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992238206 1197029722 /nfs/dbraw/zinc/02/97/22/1197029722.db2.gz DBNZKEVVPNETRF-NPNMTCQASA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000992418835 1197098342 /nfs/dbraw/zinc/09/83/42/1197098342.db2.gz YPSVMDVDHDRGIW-QDIHITRGSA-N 2 2 359.474 0.630 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001272467478 1197104901 /nfs/dbraw/zinc/10/49/01/1197104901.db2.gz OHEGWQYAEAHBDH-MRXNPFEDSA-N 2 2 358.446 0.238 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1[C@@H]2C[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272541444 1197280951 /nfs/dbraw/zinc/28/09/51/1197280951.db2.gz ZDEHHYKCSOTLGF-XHSDSOJGSA-N 2 2 357.458 0.638 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992685834 1197301150 /nfs/dbraw/zinc/30/11/50/1197301150.db2.gz FCVDQOYRUJMAJW-OGWOLHLISA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992685834 1197301156 /nfs/dbraw/zinc/30/11/56/1197301156.db2.gz FCVDQOYRUJMAJW-OGWOLHLISA-N 2 2 359.474 0.662 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992839233 1197544233 /nfs/dbraw/zinc/54/42/33/1197544233.db2.gz IQWZZNAZBURILH-QMTMVMCOSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992839233 1197544241 /nfs/dbraw/zinc/54/42/41/1197544241.db2.gz IQWZZNAZBURILH-QMTMVMCOSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000992933474 1197613100 /nfs/dbraw/zinc/61/31/00/1197613100.db2.gz IFGSVHNOHOLHLO-BEFAXECRSA-N 2 2 370.457 0.854 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000992937281 1197617855 /nfs/dbraw/zinc/61/78/55/1197617855.db2.gz CJMNONHDMNXCMV-QAPCUYQASA-N 2 2 356.430 0.395 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC000992936913 1197618357 /nfs/dbraw/zinc/61/83/57/1197618357.db2.gz YCCWNDSCNUNBRV-QFBILLFUSA-N 2 2 370.457 0.704 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1)C1CC1 ZINC000993022079 1197684077 /nfs/dbraw/zinc/68/40/77/1197684077.db2.gz BGXMCRUTCPQIOC-BJZITVGISA-N 2 2 359.474 0.599 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001085250585 1197749711 /nfs/dbraw/zinc/74/97/11/1197749711.db2.gz ZQZSHZUWTQSBNW-ARFHVFGLSA-N 2 2 357.462 0.754 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1)N1CCC1 ZINC001085250462 1197749893 /nfs/dbraw/zinc/74/98/93/1197749893.db2.gz VMSCUKWEAWSTCW-DJIMGWMZSA-N 2 2 359.474 0.695 20 0 FCADLP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224468 1197750572 /nfs/dbraw/zinc/75/05/72/1197750572.db2.gz YCZAOVNEENAEGH-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224468 1197750579 /nfs/dbraw/zinc/75/05/79/1197750579.db2.gz YCZAOVNEENAEGH-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224454 1197751224 /nfs/dbraw/zinc/75/12/24/1197751224.db2.gz YABYAWUYPITDTB-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224454 1197751229 /nfs/dbraw/zinc/75/12/29/1197751229.db2.gz YABYAWUYPITDTB-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085274666 1197780232 /nfs/dbraw/zinc/78/02/32/1197780232.db2.gz QVQUTHHTMLDVNM-HUUCEWRRSA-N 2 2 363.441 0.970 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725729 1197809947 /nfs/dbraw/zinc/80/99/47/1197809947.db2.gz MSHLOKWZQATQCD-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725729 1197809948 /nfs/dbraw/zinc/80/99/48/1197809948.db2.gz MSHLOKWZQATQCD-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725729 1197809950 /nfs/dbraw/zinc/80/99/50/1197809950.db2.gz MSHLOKWZQATQCD-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2O)C1 ZINC001083725729 1197809951 /nfs/dbraw/zinc/80/99/51/1197809951.db2.gz MSHLOKWZQATQCD-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085309083 1197810858 /nfs/dbraw/zinc/81/08/58/1197810858.db2.gz XGCQKJYAGXHQJE-OAGGEKHMSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085309083 1197810862 /nfs/dbraw/zinc/81/08/62/1197810862.db2.gz XGCQKJYAGXHQJE-OAGGEKHMSA-N 2 2 364.494 0.441 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2occc2C[NH+](C)C)n1 ZINC001085312973 1197812564 /nfs/dbraw/zinc/81/25/64/1197812564.db2.gz DVGOTTGRPLAZFV-ZIAGYGMSSA-N 2 2 361.450 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106274832 1197815123 /nfs/dbraw/zinc/81/51/23/1197815123.db2.gz XNYAILUQNRNKIH-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106274832 1197815132 /nfs/dbraw/zinc/81/51/32/1197815132.db2.gz XNYAILUQNRNKIH-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1C ZINC001085337642 1197831163 /nfs/dbraw/zinc/83/11/63/1197831163.db2.gz LSDCJQFDACEVRG-KBUPBQIOSA-N 2 2 357.462 0.869 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333276 1197869084 /nfs/dbraw/zinc/86/90/84/1197869084.db2.gz HILTXYAAHNMZMY-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342767 1197871337 /nfs/dbraw/zinc/87/13/37/1197871337.db2.gz CVDIWXRGDUUGDQ-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085429288 1197896251 /nfs/dbraw/zinc/89/62/51/1197896251.db2.gz MWNWNLCCYLXWKJ-BZUAXINKSA-N 2 2 364.494 0.536 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085429288 1197896259 /nfs/dbraw/zinc/89/62/59/1197896259.db2.gz MWNWNLCCYLXWKJ-BZUAXINKSA-N 2 2 364.494 0.536 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086112388 1198175055 /nfs/dbraw/zinc/17/50/55/1198175055.db2.gz HJODWXXHMGNKEN-XJFOESAGSA-N 2 2 359.430 0.147 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086112388 1198175065 /nfs/dbraw/zinc/17/50/65/1198175065.db2.gz HJODWXXHMGNKEN-XJFOESAGSA-N 2 2 359.430 0.147 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119918 1198180315 /nfs/dbraw/zinc/18/03/15/1198180315.db2.gz FZHOYJHKNSPTTA-ARILJUKYSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119918 1198180325 /nfs/dbraw/zinc/18/03/25/1198180325.db2.gz FZHOYJHKNSPTTA-ARILJUKYSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120790 1198183175 /nfs/dbraw/zinc/18/31/75/1198183175.db2.gz OEEHFTYDHVGNMX-LVQVYYBASA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120790 1198183180 /nfs/dbraw/zinc/18/31/80/1198183180.db2.gz OEEHFTYDHVGNMX-LVQVYYBASA-N 2 2 364.494 0.563 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]cn2C)C1 ZINC001006286151 1198190783 /nfs/dbraw/zinc/19/07/83/1198190783.db2.gz DRXDANSLVNSUMW-IDCNUPLLSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]cn2C)C1 ZINC001006286151 1198190788 /nfs/dbraw/zinc/19/07/88/1198190788.db2.gz DRXDANSLVNSUMW-IDCNUPLLSA-N 2 2 373.501 0.943 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001086201953 1198253221 /nfs/dbraw/zinc/25/32/21/1198253221.db2.gz AEBKNGMJEDNCNC-YYIAUSFCSA-N 2 2 371.489 0.917 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086400379 1198356282 /nfs/dbraw/zinc/35/62/82/1198356282.db2.gz FFGNJWUEPJFVPJ-KCYZZUKISA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086400379 1198356289 /nfs/dbraw/zinc/35/62/89/1198356289.db2.gz FFGNJWUEPJFVPJ-KCYZZUKISA-N 2 2 364.494 0.563 20 0 FCADLP C[C@H](C(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1)n1cc[nH+]c1 ZINC001273429739 1198365037 /nfs/dbraw/zinc/36/50/37/1198365037.db2.gz PTHWYRYESYJFOD-SPYBWZPUSA-N 2 2 359.474 0.845 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)c1 ZINC001219543113 1224503584 /nfs/dbraw/zinc/50/35/84/1224503584.db2.gz BMBFMRQDQVQVPS-SJORKVTESA-N 2 2 357.458 0.770 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)c1 ZINC001219543113 1224503587 /nfs/dbraw/zinc/50/35/87/1224503587.db2.gz BMBFMRQDQVQVPS-SJORKVTESA-N 2 2 357.458 0.770 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001086482455 1198956574 /nfs/dbraw/zinc/95/65/74/1198956574.db2.gz GVBRJYQPXKDEFF-QCODTGAPSA-N 2 2 359.474 0.629 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCN(c3[nH+]ccn3C)CC1)n2C ZINC000746225297 1198974152 /nfs/dbraw/zinc/97/41/52/1198974152.db2.gz VUWBMGKEQCGIAT-UHFFFAOYSA-N 2 2 368.445 0.730 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133538 1199047990 /nfs/dbraw/zinc/04/79/90/1199047990.db2.gz HIMOXXBIVNHNHJ-UJWQCDCRSA-N 3 2 364.534 0.723 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133538 1199048005 /nfs/dbraw/zinc/04/80/05/1199048005.db2.gz HIMOXXBIVNHNHJ-UJWQCDCRSA-N 3 2 364.534 0.723 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133538 1199048016 /nfs/dbraw/zinc/04/80/16/1199048016.db2.gz HIMOXXBIVNHNHJ-UJWQCDCRSA-N 3 2 364.534 0.723 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133538 1199048025 /nfs/dbraw/zinc/04/80/25/1199048025.db2.gz HIMOXXBIVNHNHJ-UJWQCDCRSA-N 3 2 364.534 0.723 20 0 FCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1C[NH+](C)C1 ZINC001169175994 1199055577 /nfs/dbraw/zinc/05/55/77/1199055577.db2.gz MUQMJIPHOLLQRI-CYBMUJFWSA-N 2 2 362.478 0.144 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129333622 1199071073 /nfs/dbraw/zinc/07/10/73/1199071073.db2.gz QBNJVKAWFPYEDJ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1n1ccnn1 ZINC001129333622 1199071078 /nfs/dbraw/zinc/07/10/78/1199071078.db2.gz QBNJVKAWFPYEDJ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665805 1224550717 /nfs/dbraw/zinc/55/07/17/1224550717.db2.gz XVMUEOUBIDLMAA-IKGGRYGDSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665805 1224550721 /nfs/dbraw/zinc/55/07/21/1224550721.db2.gz XVMUEOUBIDLMAA-IKGGRYGDSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665805 1224550724 /nfs/dbraw/zinc/55/07/24/1224550724.db2.gz XVMUEOUBIDLMAA-IKGGRYGDSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665805 1224550725 /nfs/dbraw/zinc/55/07/25/1224550725.db2.gz XVMUEOUBIDLMAA-IKGGRYGDSA-N 2 2 365.478 0.376 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001109218510 1200113235 /nfs/dbraw/zinc/11/32/35/1200113235.db2.gz LFKALGFEIGCFOI-WCVJEAGWSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001109218510 1200113238 /nfs/dbraw/zinc/11/32/38/1200113238.db2.gz LFKALGFEIGCFOI-WCVJEAGWSA-N 2 2 358.446 0.321 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408064 1200255765 /nfs/dbraw/zinc/25/57/65/1200255765.db2.gz HGDLDQHYHBJPQR-ATGSNQNLSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408064 1200255771 /nfs/dbraw/zinc/25/57/71/1200255771.db2.gz HGDLDQHYHBJPQR-ATGSNQNLSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109408064 1200255775 /nfs/dbraw/zinc/25/57/75/1200255775.db2.gz HGDLDQHYHBJPQR-ATGSNQNLSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408064 1200255781 /nfs/dbraw/zinc/25/57/81/1200255781.db2.gz HGDLDQHYHBJPQR-ATGSNQNLSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449398 1200287187 /nfs/dbraw/zinc/28/71/87/1200287187.db2.gz SSJOMKPUOMPRMB-WCVJEAGWSA-N 2 2 366.506 0.201 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449398 1200287192 /nfs/dbraw/zinc/28/71/92/1200287192.db2.gz SSJOMKPUOMPRMB-WCVJEAGWSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520141 1200357324 /nfs/dbraw/zinc/35/73/24/1200357324.db2.gz KTXUDWXOPIZOPP-DWZYQQQCSA-N 2 2 370.413 0.253 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520141 1200357332 /nfs/dbraw/zinc/35/73/32/1200357332.db2.gz KTXUDWXOPIZOPP-DWZYQQQCSA-N 2 2 370.413 0.253 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638782 1200428723 /nfs/dbraw/zinc/42/87/23/1200428723.db2.gz HCATWYRXXMKCRD-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638782 1200428726 /nfs/dbraw/zinc/42/87/26/1200428726.db2.gz HCATWYRXXMKCRD-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109638782 1200428728 /nfs/dbraw/zinc/42/87/28/1200428728.db2.gz HCATWYRXXMKCRD-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109638782 1200428731 /nfs/dbraw/zinc/42/87/31/1200428731.db2.gz HCATWYRXXMKCRD-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109719216 1200485178 /nfs/dbraw/zinc/48/51/78/1200485178.db2.gz YQWMKGIXVAZGOT-RANZSIQMSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109719216 1200485185 /nfs/dbraw/zinc/48/51/85/1200485185.db2.gz YQWMKGIXVAZGOT-RANZSIQMSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)C1 ZINC001109719216 1200485191 /nfs/dbraw/zinc/48/51/91/1200485191.db2.gz YQWMKGIXVAZGOT-RANZSIQMSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)C1 ZINC001109719216 1200485198 /nfs/dbraw/zinc/48/51/98/1200485198.db2.gz YQWMKGIXVAZGOT-RANZSIQMSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccnc(-n3nnc4ccc(C[NH3+])cc43)c2)CC1 ZINC001170018198 1200491515 /nfs/dbraw/zinc/49/15/15/1200491515.db2.gz KYKPETQTBXYTTK-UHFFFAOYSA-N 2 2 351.414 0.662 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)C[C@@H]2O)CCC1 ZINC001219798181 1224618373 /nfs/dbraw/zinc/61/83/73/1224618373.db2.gz HJPNTIWNQVIMIC-IKGGRYGDSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@@H]2O)CCC1 ZINC001219798181 1224618377 /nfs/dbraw/zinc/61/83/77/1224618377.db2.gz HJPNTIWNQVIMIC-IKGGRYGDSA-N 2 2 365.449 0.505 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109888457 1200590372 /nfs/dbraw/zinc/59/03/72/1200590372.db2.gz HJTHIQSKFHJIHO-IKGGRYGDSA-N 2 2 368.441 0.739 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109888457 1200590378 /nfs/dbraw/zinc/59/03/78/1200590378.db2.gz HJTHIQSKFHJIHO-IKGGRYGDSA-N 2 2 368.441 0.739 20 0 FCADLP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800727 1224620899 /nfs/dbraw/zinc/62/08/99/1224620899.db2.gz VIDPCEIMROTCBD-OPGNADACSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800727 1224620905 /nfs/dbraw/zinc/62/09/05/1224620905.db2.gz VIDPCEIMROTCBD-OPGNADACSA-N 2 2 363.506 0.721 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CCC1 ZINC001219802030 1224621653 /nfs/dbraw/zinc/62/16/53/1224621653.db2.gz DTSUZCHPJLJCLI-CVEARBPZSA-N 2 2 363.506 0.784 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CCC1 ZINC001219802030 1224621658 /nfs/dbraw/zinc/62/16/58/1224621658.db2.gz DTSUZCHPJLJCLI-CVEARBPZSA-N 2 2 363.506 0.784 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982953 1200675397 /nfs/dbraw/zinc/67/53/97/1200675397.db2.gz ZUOKZQBLGWLBHS-PMPSAXMXSA-N 2 2 362.518 0.966 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982953 1200675406 /nfs/dbraw/zinc/67/54/06/1200675406.db2.gz ZUOKZQBLGWLBHS-PMPSAXMXSA-N 2 2 362.518 0.966 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814008 1224629701 /nfs/dbraw/zinc/62/97/01/1224629701.db2.gz OCTAQNGHFFXRBM-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814008 1224629702 /nfs/dbraw/zinc/62/97/02/1224629702.db2.gz OCTAQNGHFFXRBM-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814008 1224629704 /nfs/dbraw/zinc/62/97/04/1224629704.db2.gz OCTAQNGHFFXRBM-PMPSAXMXSA-N 2 2 366.506 0.031 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814007 1224630129 /nfs/dbraw/zinc/63/01/29/1224630129.db2.gz OCTAQNGHFFXRBM-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814007 1224630135 /nfs/dbraw/zinc/63/01/35/1224630135.db2.gz OCTAQNGHFFXRBM-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O)C1CCC1 ZINC001219814007 1224630140 /nfs/dbraw/zinc/63/01/40/1224630140.db2.gz OCTAQNGHFFXRBM-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001112570433 1200803143 /nfs/dbraw/zinc/80/31/43/1200803143.db2.gz WVGXTKKROYBRMC-VCBZYWHSSA-N 2 2 361.490 0.956 20 0 FCADLP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571697 1200803853 /nfs/dbraw/zinc/80/38/53/1200803853.db2.gz JORIUTOBKNRRRJ-DOXZYTNZSA-N 2 2 361.490 0.706 20 0 FCADLP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)C1CC1 ZINC001112590568 1200829913 /nfs/dbraw/zinc/82/99/13/1200829913.db2.gz CSOJZYMEBRDUMS-KXBFYZLASA-N 2 2 359.474 0.722 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853150 1224654845 /nfs/dbraw/zinc/65/48/45/1224654845.db2.gz HLLGOMUAYKPBSS-IKGGRYGDSA-N 2 2 368.478 0.295 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853150 1224654848 /nfs/dbraw/zinc/65/48/48/1224654848.db2.gz HLLGOMUAYKPBSS-IKGGRYGDSA-N 2 2 368.478 0.295 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620560 1201284287 /nfs/dbraw/zinc/28/42/87/1201284287.db2.gz YRKBTUONPKMSMB-HYVNUMGLSA-N 2 2 356.470 0.540 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620560 1201284289 /nfs/dbraw/zinc/28/42/89/1201284289.db2.gz YRKBTUONPKMSMB-HYVNUMGLSA-N 2 2 356.470 0.540 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623528 1201350100 /nfs/dbraw/zinc/35/01/00/1201350100.db2.gz JQQQVOZEZSBDBO-OKZBNKHCSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623528 1201350103 /nfs/dbraw/zinc/35/01/03/1201350103.db2.gz JQQQVOZEZSBDBO-OKZBNKHCSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086623528 1201350106 /nfs/dbraw/zinc/35/01/06/1201350106.db2.gz JQQQVOZEZSBDBO-OKZBNKHCSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086623528 1201350109 /nfs/dbraw/zinc/35/01/09/1201350109.db2.gz JQQQVOZEZSBDBO-OKZBNKHCSA-N 2 2 368.485 0.851 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887678 1201413656 /nfs/dbraw/zinc/41/36/56/1201413656.db2.gz LMTRWBQPLXTMMO-IMJJTQAJSA-N 2 2 361.450 0.137 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887678 1201413659 /nfs/dbraw/zinc/41/36/59/1201413659.db2.gz LMTRWBQPLXTMMO-IMJJTQAJSA-N 2 2 361.450 0.137 20 0 FCADLP O=C(NCC[NH2+]CCN1C(=O)c2ccccc2C1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891567 1201415321 /nfs/dbraw/zinc/41/53/21/1201415321.db2.gz NFQJKCWNWRSTBV-HUUCEWRRSA-N 2 2 367.409 0.515 20 0 FCADLP O=C(NCC[NH2+]CCN1C(=O)c2ccccc2C1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891567 1201415325 /nfs/dbraw/zinc/41/53/25/1201415325.db2.gz NFQJKCWNWRSTBV-HUUCEWRRSA-N 2 2 367.409 0.515 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910307 1201422469 /nfs/dbraw/zinc/42/24/69/1201422469.db2.gz NBBBSMLYGIXVEQ-VUCTXSBTSA-N 2 2 369.429 0.845 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910521 1201423527 /nfs/dbraw/zinc/42/35/27/1201423527.db2.gz WUXSEZDGYJKVHG-SJORKVTESA-N 2 2 369.429 0.846 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917090 1201426952 /nfs/dbraw/zinc/42/69/52/1201426952.db2.gz LDCSFTHVQUGLBQ-ZNMIVQPWSA-N 2 2 361.425 0.438 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917551 1201427915 /nfs/dbraw/zinc/42/79/15/1201427915.db2.gz WKDNFJBVWAZREZ-UAGQMJEPSA-N 2 2 357.462 0.879 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130000660 1201467407 /nfs/dbraw/zinc/46/74/07/1201467407.db2.gz IMFKEQZEMHDSHB-YUELXQCFSA-N 2 2 361.425 0.822 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012068 1201471231 /nfs/dbraw/zinc/47/12/31/1201471231.db2.gz MVOPBHOGJYXQEX-ANQUJSFKSA-N 2 2 373.461 0.193 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130012173 1201471254 /nfs/dbraw/zinc/47/12/54/1201471254.db2.gz SHPGXIBNEUHDCS-KQTLUZQSSA-N 2 2 361.425 0.516 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C2)n1 ZINC001219902861 1224676330 /nfs/dbraw/zinc/67/63/30/1224676330.db2.gz MJNBSFOFKUGRMB-CVEARBPZSA-N 2 2 364.490 0.872 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C2)n1 ZINC001219902861 1224676335 /nfs/dbraw/zinc/67/63/35/1224676335.db2.gz MJNBSFOFKUGRMB-CVEARBPZSA-N 2 2 364.490 0.872 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C2)n1 ZINC001219902861 1224676337 /nfs/dbraw/zinc/67/63/37/1224676337.db2.gz MJNBSFOFKUGRMB-CVEARBPZSA-N 2 2 364.490 0.872 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C2)n1 ZINC001219902861 1224676340 /nfs/dbraw/zinc/67/63/40/1224676340.db2.gz MJNBSFOFKUGRMB-CVEARBPZSA-N 2 2 364.490 0.872 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130086189 1201494199 /nfs/dbraw/zinc/49/41/99/1201494199.db2.gz OWVWAWUNEBIYEH-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130086271 1201494851 /nfs/dbraw/zinc/49/48/51/1201494851.db2.gz SXBKMAMMSKWFGT-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130110197 1201504505 /nfs/dbraw/zinc/50/45/05/1201504505.db2.gz ZKQOYPKQWLMPPU-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP CN(CCC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910663 1224678296 /nfs/dbraw/zinc/67/82/96/1224678296.db2.gz NIGBUGBRCBDCSJ-SJORKVTESA-N 2 2 358.446 0.003 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908503 1224678966 /nfs/dbraw/zinc/67/89/66/1224678966.db2.gz IORKQCNXYFKBAC-NXHRZFHOSA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908503 1224678969 /nfs/dbraw/zinc/67/89/69/1224678969.db2.gz IORKQCNXYFKBAC-NXHRZFHOSA-N 2 2 364.490 0.670 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(-c3ccccc3)n2)O1 ZINC001130184229 1201535841 /nfs/dbraw/zinc/53/58/41/1201535841.db2.gz HGDBJOBHCVPOQF-RHSMWYFYSA-N 2 2 358.446 0.192 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(-c3ccccc3)n2)O1 ZINC001130184229 1201535846 /nfs/dbraw/zinc/53/58/46/1201535846.db2.gz HGDBJOBHCVPOQF-RHSMWYFYSA-N 2 2 358.446 0.192 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nncn2-c2ccccc2)O1 ZINC001130182913 1201536362 /nfs/dbraw/zinc/53/63/62/1201536362.db2.gz ZPJGMGMKZUHRCZ-GDBMZVCRSA-N 2 2 358.446 0.192 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nncn2-c2ccccc2)O1 ZINC001130182913 1201536367 /nfs/dbraw/zinc/53/63/67/1201536367.db2.gz ZPJGMGMKZUHRCZ-GDBMZVCRSA-N 2 2 358.446 0.192 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001130223412 1201552185 /nfs/dbraw/zinc/55/21/85/1201552185.db2.gz SBFLMBDDPHROOS-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001130223412 1201552190 /nfs/dbraw/zinc/55/21/90/1201552190.db2.gz SBFLMBDDPHROOS-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130223412 1201552195 /nfs/dbraw/zinc/55/21/95/1201552195.db2.gz SBFLMBDDPHROOS-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001130223412 1201552196 /nfs/dbraw/zinc/55/21/96/1201552196.db2.gz SBFLMBDDPHROOS-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130248959 1201568528 /nfs/dbraw/zinc/56/85/28/1201568528.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 2 2 366.510 0.881 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130248959 1201568532 /nfs/dbraw/zinc/56/85/32/1201568532.db2.gz CCJRUMOEYASSQR-GJZGRUSLSA-N 2 2 366.510 0.881 20 0 FCADLP CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001130295790 1201579604 /nfs/dbraw/zinc/57/96/04/1201579604.db2.gz SFBBAFRHPBOLCG-BEFAXECRSA-N 2 2 361.490 0.848 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008669 1224725598 /nfs/dbraw/zinc/72/55/98/1224725598.db2.gz AVAHKEKIEFJGSS-PMPSAXMXSA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008669 1224725601 /nfs/dbraw/zinc/72/56/01/1224725601.db2.gz AVAHKEKIEFJGSS-PMPSAXMXSA-N 2 2 359.430 0.153 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CC1 ZINC001220009092 1224726404 /nfs/dbraw/zinc/72/64/04/1224726404.db2.gz WXFDUEMBIAQCGY-SJORKVTESA-N 2 2 371.441 0.120 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1)C1CC1 ZINC001220009092 1224726408 /nfs/dbraw/zinc/72/64/08/1224726408.db2.gz WXFDUEMBIAQCGY-SJORKVTESA-N 2 2 371.441 0.120 20 0 FCADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001220048116 1224737664 /nfs/dbraw/zinc/73/76/64/1224737664.db2.gz LZBLLLOLXJEKAS-BDXSIMOUSA-N 2 2 369.506 0.218 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H](O)C1 ZINC001220048116 1224737667 /nfs/dbraw/zinc/73/76/67/1224737667.db2.gz LZBLLLOLXJEKAS-BDXSIMOUSA-N 2 2 369.506 0.218 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220053472 1224738922 /nfs/dbraw/zinc/73/89/22/1224738922.db2.gz OATZWEYESPGUHJ-IKGGRYGDSA-N 2 2 364.490 0.455 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220053472 1224738923 /nfs/dbraw/zinc/73/89/23/1224738923.db2.gz OATZWEYESPGUHJ-IKGGRYGDSA-N 2 2 364.490 0.455 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)n1 ZINC001130669228 1202751195 /nfs/dbraw/zinc/75/11/95/1202751195.db2.gz AUHRLCXFKFHSRR-DOTOQJQBSA-N 2 2 371.489 0.554 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001130706882 1202757340 /nfs/dbraw/zinc/75/73/40/1202757340.db2.gz YHPAEFLSRCGOKE-GOEBONIOSA-N 2 2 361.450 0.229 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001130706882 1202757343 /nfs/dbraw/zinc/75/73/43/1202757343.db2.gz YHPAEFLSRCGOKE-GOEBONIOSA-N 2 2 361.450 0.229 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712680 1202759422 /nfs/dbraw/zinc/75/94/22/1202759422.db2.gz HEWQAFBPJJLKLC-DOTOQJQBSA-N 2 2 360.462 0.317 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739927 1202771799 /nfs/dbraw/zinc/77/17/99/1202771799.db2.gz VWNVEQGFMCWJLU-DOTOQJQBSA-N 2 2 360.462 0.627 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)C1CC1 ZINC001130790061 1202798086 /nfs/dbraw/zinc/79/80/86/1202798086.db2.gz GBJLFXFRAKBKJZ-GZBFAFLISA-N 2 2 368.457 0.540 20 0 FCADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945811 1202827759 /nfs/dbraw/zinc/82/77/59/1202827759.db2.gz CFZAFPVNUNPCGN-JFIYKMOQSA-N 2 2 361.490 0.601 20 0 FCADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945811 1202827761 /nfs/dbraw/zinc/82/77/61/1202827761.db2.gz CFZAFPVNUNPCGN-JFIYKMOQSA-N 2 2 361.490 0.601 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)c1ncccn1 ZINC001131068312 1202855800 /nfs/dbraw/zinc/85/58/00/1202855800.db2.gz YIHLZXQCGHYNIE-BZUAXINKSA-N 2 2 371.489 0.807 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131108549 1202864759 /nfs/dbraw/zinc/86/47/59/1202864759.db2.gz VMXPEEQASVNSLB-NUEKZKHPSA-N 2 2 360.462 0.315 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131136607 1202871202 /nfs/dbraw/zinc/87/12/02/1202871202.db2.gz VODLTNSUMZXMNL-BZUAXINKSA-N 2 2 360.462 0.362 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)[nH]1 ZINC001086664747 1202886966 /nfs/dbraw/zinc/88/69/66/1202886966.db2.gz CFCHSDAUDMVJFW-ZNMIVQPWSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)[nH]1 ZINC001086664747 1202886968 /nfs/dbraw/zinc/88/69/68/1202886968.db2.gz CFCHSDAUDMVJFW-ZNMIVQPWSA-N 2 2 364.494 0.633 20 0 FCADLP O[C@H]1c2ccccc2OC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000808729210 1202896735 /nfs/dbraw/zinc/89/67/35/1202896735.db2.gz IECRKUTZULQBIV-ICSRJNTNSA-N 2 2 361.486 0.867 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131621488 1202920040 /nfs/dbraw/zinc/92/00/40/1202920040.db2.gz XOJBZJSUWWHSNT-UNEWFSDZSA-N 2 2 363.462 0.003 20 0 FCADLP O=C(NCC[NH2+]CCC[C@@H]1CCOC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613539 1202921856 /nfs/dbraw/zinc/92/18/56/1202921856.db2.gz FGLREBKYPBXHJV-KURKYZTESA-N 2 2 369.506 0.389 20 0 FCADLP COC(=O)CC[C@]1(C)NC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000811761116 1202973159 /nfs/dbraw/zinc/97/31/59/1202973159.db2.gz ZWLVAIRQANGMAA-KRWDZBQOSA-N 2 2 365.434 0.735 20 0 FCADLP COC(=O)CC[C@]1(C)NC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000811761116 1202973160 /nfs/dbraw/zinc/97/31/60/1202973160.db2.gz ZWLVAIRQANGMAA-KRWDZBQOSA-N 2 2 365.434 0.735 20 0 FCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000813324184 1202992614 /nfs/dbraw/zinc/99/26/14/1202992614.db2.gz HDJSVSRSGDGKIR-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NCc1ccco1 ZINC001134045407 1203010653 /nfs/dbraw/zinc/01/06/53/1203010653.db2.gz FIFHTSKDVXDIFX-BPLDGKMQSA-N 2 2 359.430 0.527 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001134042974 1203010953 /nfs/dbraw/zinc/01/09/53/1203010953.db2.gz PCHSMYKPCNDALG-BRWVUGGUSA-N 2 2 360.433 0.972 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086716983 1203013317 /nfs/dbraw/zinc/01/33/17/1203013317.db2.gz AMRZZGQCCAGZPA-MJBXVCDLSA-N 2 2 358.450 0.359 20 0 FCADLP CC1(C)[C@@H]2C[C@H](n3c[nH+]cc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)C[C@@H]21 ZINC001170737321 1203018344 /nfs/dbraw/zinc/01/83/44/1203018344.db2.gz XRQKYKRHHHCWEY-TXUJKZCJSA-N 2 2 359.474 0.836 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001086737294 1203063352 /nfs/dbraw/zinc/06/33/52/1203063352.db2.gz FDGOKBUTZADZTJ-ARFHVFGLSA-N 2 2 357.462 0.612 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086739321 1203065295 /nfs/dbraw/zinc/06/52/95/1203065295.db2.gz TUVJZFWXLITJLL-QWHCGFSZSA-N 2 2 361.450 0.553 20 0 FCADLP Cc1c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnn(C)n3)C2)ccc2c[nH+]cn21 ZINC001086739785 1203066030 /nfs/dbraw/zinc/06/60/30/1203066030.db2.gz RJDQLRDRMOMLSQ-UONOGXRCSA-N 2 2 368.445 0.855 20 0 FCADLP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105868 1224764939 /nfs/dbraw/zinc/76/49/39/1224764939.db2.gz OYAQQBUHLASUIV-SJORKVTESA-N 2 2 358.442 0.822 20 0 FCADLP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105868 1224764945 /nfs/dbraw/zinc/76/49/45/1224764945.db2.gz OYAQQBUHLASUIV-SJORKVTESA-N 2 2 358.442 0.822 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220105570 1224765023 /nfs/dbraw/zinc/76/50/23/1224765023.db2.gz BCONDKHUFKFVFM-MSOLQXFVSA-N 2 2 358.442 0.904 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220105570 1224765030 /nfs/dbraw/zinc/76/50/30/1224765030.db2.gz BCONDKHUFKFVFM-MSOLQXFVSA-N 2 2 358.442 0.904 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001086800488 1203099841 /nfs/dbraw/zinc/09/98/41/1203099841.db2.gz OJUJMRJNBRTNOH-ZNMIVQPWSA-N 2 2 357.462 0.996 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001170875452 1203113057 /nfs/dbraw/zinc/11/30/57/1203113057.db2.gz VRYJSLGGTPACMZ-HZPDHXFCSA-N 2 2 364.446 0.356 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119261 1224776550 /nfs/dbraw/zinc/77/65/50/1224776550.db2.gz IIFQDTQXWLFVNC-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119261 1224776559 /nfs/dbraw/zinc/77/65/59/1224776559.db2.gz IIFQDTQXWLFVNC-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001090788322 1203301958 /nfs/dbraw/zinc/30/19/58/1203301958.db2.gz PCEQWCOGBWPNCN-TZMCWYRMSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440564 1204500817 /nfs/dbraw/zinc/50/08/17/1204500817.db2.gz LLEJRGLLUVELDD-HUUCEWRRSA-N 2 2 372.510 0.668 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440564 1204500821 /nfs/dbraw/zinc/50/08/21/1204500821.db2.gz LLEJRGLLUVELDD-HUUCEWRRSA-N 2 2 372.510 0.668 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@@H]1O)[NH+](CC)CC ZINC001220343249 1224835669 /nfs/dbraw/zinc/83/56/69/1224835669.db2.gz ZEVOPBLTAVRFKL-ZACQAIPSSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@@H]1O)[NH+](CC)CC ZINC001220343249 1224835672 /nfs/dbraw/zinc/83/56/72/1224835672.db2.gz ZEVOPBLTAVRFKL-ZACQAIPSSA-N 2 2 364.490 0.872 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000846168940 1204593813 /nfs/dbraw/zinc/59/38/13/1204593813.db2.gz DMRLGWLSISGPQS-UHFFFAOYSA-N 2 2 364.490 0.678 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544232 1204707431 /nfs/dbraw/zinc/70/74/31/1204707431.db2.gz XCNUFTMZGYAXLV-LBTNJELSSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544232 1204707438 /nfs/dbraw/zinc/70/74/38/1204707438.db2.gz XCNUFTMZGYAXLV-LBTNJELSSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091544232 1204707445 /nfs/dbraw/zinc/70/74/45/1204707445.db2.gz XCNUFTMZGYAXLV-LBTNJELSSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091544232 1204707448 /nfs/dbraw/zinc/70/74/48/1204707448.db2.gz XCNUFTMZGYAXLV-LBTNJELSSA-N 2 2 363.462 0.591 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544383 1204707863 /nfs/dbraw/zinc/70/78/63/1204707863.db2.gz YJKFPOMFRXITTE-LBTNJELSSA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544383 1204707869 /nfs/dbraw/zinc/70/78/69/1204707869.db2.gz YJKFPOMFRXITTE-LBTNJELSSA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091544383 1204707874 /nfs/dbraw/zinc/70/78/74/1204707874.db2.gz YJKFPOMFRXITTE-LBTNJELSSA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091544383 1204707876 /nfs/dbraw/zinc/70/78/76/1204707876.db2.gz YJKFPOMFRXITTE-LBTNJELSSA-N 2 2 362.478 0.510 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O)[NH+](C)C ZINC001220380023 1224850157 /nfs/dbraw/zinc/85/01/57/1224850157.db2.gz NGTCNZLMOUPYQW-IKGGRYGDSA-N 2 2 362.474 0.048 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O)[NH+](C)C ZINC001220380023 1224850160 /nfs/dbraw/zinc/85/01/60/1224850160.db2.gz NGTCNZLMOUPYQW-IKGGRYGDSA-N 2 2 362.474 0.048 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC)C[C@@]2(C)C1 ZINC001091684315 1204821542 /nfs/dbraw/zinc/82/15/42/1204821542.db2.gz AZPGWJJPTGHYCW-KHYOSLBOSA-N 2 2 361.490 0.923 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC)C[C@@]2(C)C1 ZINC001091684315 1204821543 /nfs/dbraw/zinc/82/15/43/1204821543.db2.gz AZPGWJJPTGHYCW-KHYOSLBOSA-N 2 2 361.490 0.923 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091691767 1204822481 /nfs/dbraw/zinc/82/24/81/1204822481.db2.gz YOFMUIFCIWAOOG-KSMMKXTCSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091691767 1204822483 /nfs/dbraw/zinc/82/24/83/1204822483.db2.gz YOFMUIFCIWAOOG-KSMMKXTCSA-N 2 2 359.474 0.416 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087038516 1204915410 /nfs/dbraw/zinc/91/54/10/1204915410.db2.gz KNTGXZOKPVRJKL-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nocc1C ZINC001087038516 1204915415 /nfs/dbraw/zinc/91/54/15/1204915415.db2.gz KNTGXZOKPVRJKL-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](C)c1ncccn1 ZINC001087088241 1204976998 /nfs/dbraw/zinc/97/69/98/1204976998.db2.gz PJHRFXAVGICIDY-IIAWOOMASA-N 2 2 358.446 0.957 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087098824 1204994845 /nfs/dbraw/zinc/99/48/45/1204994845.db2.gz PHVHQTZAFOKMAI-CZUORRHYSA-N 2 2 361.450 0.042 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001087096882 1205004638 /nfs/dbraw/zinc/00/46/38/1205004638.db2.gz IZIDBNMJXGBDTJ-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091795278 1205015132 /nfs/dbraw/zinc/01/51/32/1205015132.db2.gz QLFRSSUJTAOGNI-SXGZJXTBSA-N 2 2 371.485 0.504 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091795278 1205015136 /nfs/dbraw/zinc/01/51/36/1205015136.db2.gz QLFRSSUJTAOGNI-SXGZJXTBSA-N 2 2 371.485 0.504 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091794999 1205015252 /nfs/dbraw/zinc/01/52/52/1205015252.db2.gz GVADVNISRIGFKB-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091794999 1205015257 /nfs/dbraw/zinc/01/52/57/1205015257.db2.gz GVADVNISRIGFKB-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091798081 1205017301 /nfs/dbraw/zinc/01/73/01/1205017301.db2.gz HYZSVOIYUFTGFR-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091798081 1205017302 /nfs/dbraw/zinc/01/73/02/1205017302.db2.gz HYZSVOIYUFTGFR-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)co1 ZINC001091782890 1205026824 /nfs/dbraw/zinc/02/68/24/1205026824.db2.gz KSMSGUSMABGCFO-VWMOJTHMSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)co1 ZINC001091782890 1205026829 /nfs/dbraw/zinc/02/68/29/1205026829.db2.gz KSMSGUSMABGCFO-VWMOJTHMSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)co1 ZINC001091782890 1205026832 /nfs/dbraw/zinc/02/68/32/1205026832.db2.gz KSMSGUSMABGCFO-VWMOJTHMSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)co1 ZINC001091782890 1205026836 /nfs/dbraw/zinc/02/68/36/1205026836.db2.gz KSMSGUSMABGCFO-VWMOJTHMSA-N 2 2 362.474 0.982 20 0 FCADLP COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883768 1205048728 /nfs/dbraw/zinc/04/87/28/1205048728.db2.gz VXJIXJXATIZOPJ-HBFSDRIKSA-N 2 2 365.518 0.914 20 0 FCADLP COCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883768 1205048730 /nfs/dbraw/zinc/04/87/30/1205048730.db2.gz VXJIXJXATIZOPJ-HBFSDRIKSA-N 2 2 365.518 0.914 20 0 FCADLP COCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883768 1205048735 /nfs/dbraw/zinc/04/87/35/1205048735.db2.gz VXJIXJXATIZOPJ-HBFSDRIKSA-N 2 2 365.518 0.914 20 0 FCADLP COCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@]2(C)C1 ZINC001091883768 1205048738 /nfs/dbraw/zinc/04/87/38/1205048738.db2.gz VXJIXJXATIZOPJ-HBFSDRIKSA-N 2 2 365.518 0.914 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001091868335 1205057453 /nfs/dbraw/zinc/05/74/53/1205057453.db2.gz OGBLFUFBSVYJET-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091898251 1205077001 /nfs/dbraw/zinc/07/70/01/1205077001.db2.gz MLTRHSASMDUEOT-MDZRGWNJSA-N 2 2 369.473 0.833 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091898251 1205077003 /nfs/dbraw/zinc/07/70/03/1205077003.db2.gz MLTRHSASMDUEOT-MDZRGWNJSA-N 2 2 369.473 0.833 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[NH+](C)CC3)[C@@H]1C ZINC001091996585 1205097642 /nfs/dbraw/zinc/09/76/42/1205097642.db2.gz SFNPAXSCFMIBNB-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[NH+](C)CC3)[C@@H]1C ZINC001091996585 1205097646 /nfs/dbraw/zinc/09/76/46/1205097646.db2.gz SFNPAXSCFMIBNB-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001091996585 1205097649 /nfs/dbraw/zinc/09/76/49/1205097649.db2.gz SFNPAXSCFMIBNB-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013499 1205113173 /nfs/dbraw/zinc/11/31/73/1205113173.db2.gz SUCMQWYBIOJZHQ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013499 1205113174 /nfs/dbraw/zinc/11/31/74/1205113174.db2.gz SUCMQWYBIOJZHQ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013499 1205113175 /nfs/dbraw/zinc/11/31/75/1205113175.db2.gz SUCMQWYBIOJZHQ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013499 1205113176 /nfs/dbraw/zinc/11/31/76/1205113176.db2.gz SUCMQWYBIOJZHQ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026219 1205122250 /nfs/dbraw/zinc/12/22/50/1205122250.db2.gz FXHVRWZKBSWGKC-GPINWOSQSA-N 2 2 359.474 0.392 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092026219 1205122254 /nfs/dbraw/zinc/12/22/54/1205122254.db2.gz FXHVRWZKBSWGKC-GPINWOSQSA-N 2 2 359.474 0.392 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056502 1205127043 /nfs/dbraw/zinc/12/70/43/1205127043.db2.gz GVCZWNWMXNNLKU-KHYOSLBOSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056502 1205127055 /nfs/dbraw/zinc/12/70/55/1205127055.db2.gz GVCZWNWMXNNLKU-KHYOSLBOSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092057669 1205127892 /nfs/dbraw/zinc/12/78/92/1205127892.db2.gz TYPAQZANRADUEK-JZXOWHBKSA-N 2 2 357.462 0.906 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092057669 1205127895 /nfs/dbraw/zinc/12/78/95/1205127895.db2.gz TYPAQZANRADUEK-JZXOWHBKSA-N 2 2 357.462 0.906 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063502 1205131998 /nfs/dbraw/zinc/13/19/98/1205131998.db2.gz PXAJYTMDEMWLEM-LMMKCTJWSA-N 2 2 365.518 0.793 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@]2(C)C1 ZINC001092063502 1205131999 /nfs/dbraw/zinc/13/19/99/1205131999.db2.gz PXAJYTMDEMWLEM-LMMKCTJWSA-N 2 2 365.518 0.793 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092049374 1205140008 /nfs/dbraw/zinc/14/00/08/1205140008.db2.gz BJNUDNDWJBWTBL-CLCXKQKWSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092049374 1205140010 /nfs/dbraw/zinc/14/00/10/1205140010.db2.gz BJNUDNDWJBWTBL-CLCXKQKWSA-N 2 2 359.474 0.649 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092201094 1205195116 /nfs/dbraw/zinc/19/51/16/1205195116.db2.gz VJHILVGLWAIQHB-YJYMSZOUSA-N 2 2 359.474 0.746 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092201094 1205195123 /nfs/dbraw/zinc/19/51/23/1205195123.db2.gz VJHILVGLWAIQHB-YJYMSZOUSA-N 2 2 359.474 0.746 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092200636 1205196576 /nfs/dbraw/zinc/19/65/76/1205196576.db2.gz MFOWNJCGPUNPLM-KSMMKXTCSA-N 2 2 361.490 0.944 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092200636 1205196578 /nfs/dbraw/zinc/19/65/78/1205196578.db2.gz MFOWNJCGPUNPLM-KSMMKXTCSA-N 2 2 361.490 0.944 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092204304 1205197362 /nfs/dbraw/zinc/19/73/62/1205197362.db2.gz XYWRENLESOCVJS-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092204304 1205197367 /nfs/dbraw/zinc/19/73/67/1205197367.db2.gz XYWRENLESOCVJS-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275589 1205222078 /nfs/dbraw/zinc/22/20/78/1205222078.db2.gz JYHZPPFYVLBENL-APWZRJJASA-N 2 2 360.506 0.983 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275589 1205222084 /nfs/dbraw/zinc/22/20/84/1205222084.db2.gz JYHZPPFYVLBENL-APWZRJJASA-N 2 2 360.506 0.983 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301503 1205234391 /nfs/dbraw/zinc/23/43/91/1205234391.db2.gz KXLGFIPQJJVBSG-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301503 1205234398 /nfs/dbraw/zinc/23/43/98/1205234398.db2.gz KXLGFIPQJJVBSG-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301503 1205234405 /nfs/dbraw/zinc/23/44/05/1205234405.db2.gz KXLGFIPQJJVBSG-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301503 1205234409 /nfs/dbraw/zinc/23/44/09/1205234409.db2.gz KXLGFIPQJJVBSG-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304890 1205236324 /nfs/dbraw/zinc/23/63/24/1205236324.db2.gz QVCSJBLCFDGRHG-AYBZRNKSSA-N 2 2 359.474 0.211 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304890 1205236327 /nfs/dbraw/zinc/23/63/27/1205236327.db2.gz QVCSJBLCFDGRHG-AYBZRNKSSA-N 2 2 359.474 0.211 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001092385459 1205270319 /nfs/dbraw/zinc/27/03/19/1205270319.db2.gz ZYBHYGMLIZGABH-QLFBSQMISA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001092385459 1205270322 /nfs/dbraw/zinc/27/03/22/1205270322.db2.gz ZYBHYGMLIZGABH-QLFBSQMISA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675931 1205336588 /nfs/dbraw/zinc/33/65/88/1205336588.db2.gz PTFHSZNRZJMWDB-FMKPAKJESA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675931 1205336595 /nfs/dbraw/zinc/33/65/95/1205336595.db2.gz PTFHSZNRZJMWDB-FMKPAKJESA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001092740105 1205349003 /nfs/dbraw/zinc/34/90/03/1205349003.db2.gz INTRHPVPDLGLHA-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001092740105 1205349005 /nfs/dbraw/zinc/34/90/05/1205349005.db2.gz INTRHPVPDLGLHA-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910638 1205940625 /nfs/dbraw/zinc/94/06/25/1205940625.db2.gz HRCSRPFGHCDAQC-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910638 1205940626 /nfs/dbraw/zinc/94/06/26/1205940626.db2.gz HRCSRPFGHCDAQC-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910638 1205940627 /nfs/dbraw/zinc/94/06/27/1205940627.db2.gz HRCSRPFGHCDAQC-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001092910638 1205940629 /nfs/dbraw/zinc/94/06/29/1205940629.db2.gz HRCSRPFGHCDAQC-BZUAXINKSA-N 2 2 364.494 0.108 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911825 1205941262 /nfs/dbraw/zinc/94/12/62/1205941262.db2.gz ZOFQKEABMAJVKD-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911825 1205941265 /nfs/dbraw/zinc/94/12/65/1205941265.db2.gz ZOFQKEABMAJVKD-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911825 1205941270 /nfs/dbraw/zinc/94/12/70/1205941270.db2.gz ZOFQKEABMAJVKD-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)o1 ZINC001092911825 1205941275 /nfs/dbraw/zinc/94/12/75/1205941275.db2.gz ZOFQKEABMAJVKD-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnnn3C)C[C@H]1C)CC2 ZINC001092919119 1205944977 /nfs/dbraw/zinc/94/49/77/1205944977.db2.gz AAVKQRQTGZPLRB-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnnn3C)C[C@H]1C)CC2 ZINC001092919119 1205944981 /nfs/dbraw/zinc/94/49/81/1205944981.db2.gz AAVKQRQTGZPLRB-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnnn3C)C[C@H]1C)C2 ZINC001092966231 1205968361 /nfs/dbraw/zinc/96/83/61/1205968361.db2.gz VYYKRKMYQPMFLV-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnnn3C)C[C@H]1C)C2 ZINC001092966231 1205968366 /nfs/dbraw/zinc/96/83/66/1205968366.db2.gz VYYKRKMYQPMFLV-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550138 1224922454 /nfs/dbraw/zinc/92/24/54/1224922454.db2.gz JYNLSQDGVFXSCD-BMFZPTHFSA-N 2 2 365.478 0.048 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550138 1224922465 /nfs/dbraw/zinc/92/24/65/1224922465.db2.gz JYNLSQDGVFXSCD-BMFZPTHFSA-N 2 2 365.478 0.048 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001093102657 1206017459 /nfs/dbraw/zinc/01/74/59/1206017459.db2.gz KGNYLQWEOSSQPL-CPUCHLNUSA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001093102657 1206017465 /nfs/dbraw/zinc/01/74/65/1206017465.db2.gz KGNYLQWEOSSQPL-CPUCHLNUSA-N 2 2 368.441 0.454 20 0 FCADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553187 1224924568 /nfs/dbraw/zinc/92/45/68/1224924568.db2.gz BYHJAYCBACJOQQ-MSOLQXFVSA-N 2 2 365.449 0.518 20 0 FCADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553187 1224924573 /nfs/dbraw/zinc/92/45/73/1224924573.db2.gz BYHJAYCBACJOQQ-MSOLQXFVSA-N 2 2 365.449 0.518 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195427 1206052588 /nfs/dbraw/zinc/05/25/88/1206052588.db2.gz QWXBRPMNPMQGAB-VNQPRFMTSA-N 2 2 360.506 0.828 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195427 1206052591 /nfs/dbraw/zinc/05/25/91/1206052591.db2.gz QWXBRPMNPMQGAB-VNQPRFMTSA-N 2 2 360.506 0.828 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195427 1206052596 /nfs/dbraw/zinc/05/25/96/1206052596.db2.gz QWXBRPMNPMQGAB-VNQPRFMTSA-N 2 2 360.506 0.828 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195427 1206052601 /nfs/dbraw/zinc/05/26/01/1206052601.db2.gz QWXBRPMNPMQGAB-VNQPRFMTSA-N 2 2 360.506 0.828 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214669 1206060255 /nfs/dbraw/zinc/06/02/55/1206060255.db2.gz QYOVEHQZYBLHQU-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214669 1206060256 /nfs/dbraw/zinc/06/02/56/1206060256.db2.gz QYOVEHQZYBLHQU-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214669 1206060259 /nfs/dbraw/zinc/06/02/59/1206060259.db2.gz QYOVEHQZYBLHQU-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)o1 ZINC001093214669 1206060261 /nfs/dbraw/zinc/06/02/61/1206060261.db2.gz QYOVEHQZYBLHQU-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)nn1 ZINC001093321833 1206075241 /nfs/dbraw/zinc/07/52/41/1206075241.db2.gz DARHZXPGIDFEAA-RHSMWYFYSA-N 2 2 369.473 0.938 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001093690522 1206101596 /nfs/dbraw/zinc/10/15/96/1206101596.db2.gz ZBLXPYCDFKQBOX-BPLDGKMQSA-N 2 2 363.462 0.462 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001093690522 1206101600 /nfs/dbraw/zinc/10/16/00/1206101600.db2.gz ZBLXPYCDFKQBOX-BPLDGKMQSA-N 2 2 363.462 0.462 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093879044 1206141417 /nfs/dbraw/zinc/14/14/17/1206141417.db2.gz ODAZKLLDAMWNCY-CHWSQXEVSA-N 2 2 361.450 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001093913409 1206147532 /nfs/dbraw/zinc/14/75/32/1206147532.db2.gz OZZRXKMQQPZNEM-KFWWJZLASA-N 2 2 355.442 0.863 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220565518 1224934343 /nfs/dbraw/zinc/93/43/43/1224934343.db2.gz UDOQXCJLLMVAAJ-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001093951295 1206157070 /nfs/dbraw/zinc/15/70/70/1206157070.db2.gz FLVUTSHNRRCKFC-IXDOHACOSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093951723 1206157287 /nfs/dbraw/zinc/15/72/87/1206157287.db2.gz URXYXDBCWZZHCM-OAGGEKHMSA-N 2 2 357.462 0.736 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220565518 1224934356 /nfs/dbraw/zinc/93/43/56/1224934356.db2.gz UDOQXCJLLMVAAJ-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220565518 1224934373 /nfs/dbraw/zinc/93/43/73/1224934373.db2.gz UDOQXCJLLMVAAJ-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001220565518 1224934384 /nfs/dbraw/zinc/93/43/84/1224934384.db2.gz UDOQXCJLLMVAAJ-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094166091 1206197826 /nfs/dbraw/zinc/19/78/26/1206197826.db2.gz NHYBIRDEHXOIAY-RHSMWYFYSA-N 2 2 369.469 0.946 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)C1=O ZINC001094166473 1206197872 /nfs/dbraw/zinc/19/78/72/1206197872.db2.gz DMWMCLODBYLGPS-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001094166330 1206197938 /nfs/dbraw/zinc/19/79/38/1206197938.db2.gz WKRIJSHZNXCRRT-GDBMZVCRSA-N 2 2 357.458 0.546 20 0 FCADLP C[C@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299963 1206215743 /nfs/dbraw/zinc/21/57/43/1206215743.db2.gz XJSJAHADUQUCIT-WOSRLPQWSA-N 2 2 368.457 0.218 20 0 FCADLP C[C@H](F)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299963 1206215745 /nfs/dbraw/zinc/21/57/45/1206215745.db2.gz XJSJAHADUQUCIT-WOSRLPQWSA-N 2 2 368.457 0.218 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220568383 1224936592 /nfs/dbraw/zinc/93/65/92/1224936592.db2.gz KKWRNGZIZLBTFM-SJORKVTESA-N 2 2 368.522 0.186 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220568383 1224936604 /nfs/dbraw/zinc/93/66/04/1224936604.db2.gz KKWRNGZIZLBTFM-SJORKVTESA-N 2 2 368.522 0.186 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220568383 1224936613 /nfs/dbraw/zinc/93/66/13/1224936613.db2.gz KKWRNGZIZLBTFM-SJORKVTESA-N 2 2 368.522 0.186 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O ZINC001220568383 1224936622 /nfs/dbraw/zinc/93/66/22/1224936622.db2.gz KKWRNGZIZLBTFM-SJORKVTESA-N 2 2 368.522 0.186 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001110159899 1206238704 /nfs/dbraw/zinc/23/87/04/1206238704.db2.gz ZECQBFJBEVGTNX-PVAVHDDUSA-N 2 2 362.474 0.958 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001110159899 1206238706 /nfs/dbraw/zinc/23/87/06/1206238706.db2.gz ZECQBFJBEVGTNX-PVAVHDDUSA-N 2 2 362.474 0.958 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001110159899 1206238707 /nfs/dbraw/zinc/23/87/07/1206238707.db2.gz ZECQBFJBEVGTNX-PVAVHDDUSA-N 2 2 362.474 0.958 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001110159899 1206238708 /nfs/dbraw/zinc/23/87/08/1206238708.db2.gz ZECQBFJBEVGTNX-PVAVHDDUSA-N 2 2 362.474 0.958 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CC1=O ZINC001171694989 1206251529 /nfs/dbraw/zinc/25/15/29/1206251529.db2.gz RWPDUCRXHXPWLS-CYBMUJFWSA-N 2 2 365.434 0.599 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CC1=O ZINC001171694990 1206251576 /nfs/dbraw/zinc/25/15/76/1206251576.db2.gz RWPDUCRXHXPWLS-ZDUSSCGKSA-N 2 2 365.434 0.599 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172224796 1206259822 /nfs/dbraw/zinc/25/98/22/1206259822.db2.gz OJJSHQCYNAIQKW-MQVJKMGUSA-N 2 2 373.501 0.876 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172224796 1206259826 /nfs/dbraw/zinc/25/98/26/1206259826.db2.gz OJJSHQCYNAIQKW-MQVJKMGUSA-N 2 2 373.501 0.876 20 0 FCADLP CC(C)OCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172446276 1206262035 /nfs/dbraw/zinc/26/20/35/1206262035.db2.gz YDNWUJWEAQZXKI-KBMXLJTQSA-N 2 2 365.478 0.605 20 0 FCADLP CCOC(=O)CC1([NH3+])CC[NH+]([C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173570484 1206280746 /nfs/dbraw/zinc/28/07/46/1206280746.db2.gz FRTOQVHSRUWLAC-BTTYYORXSA-N 2 2 370.446 0.474 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755226 1206287646 /nfs/dbraw/zinc/28/76/46/1206287646.db2.gz UOJNVUMFVBFOFZ-CVEARBPZSA-N 2 2 361.494 0.833 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755226 1206287648 /nfs/dbraw/zinc/28/76/48/1206287648.db2.gz UOJNVUMFVBFOFZ-CVEARBPZSA-N 2 2 361.494 0.833 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O)C(C)C ZINC001220572621 1224941779 /nfs/dbraw/zinc/94/17/79/1224941779.db2.gz DAZZYNMLFLYYOJ-RYRKJORJSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O)C(C)C ZINC001220572621 1224941787 /nfs/dbraw/zinc/94/17/87/1224941787.db2.gz DAZZYNMLFLYYOJ-RYRKJORJSA-N 2 2 368.522 0.137 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)Cc1ccccc1 ZINC001110193883 1206312170 /nfs/dbraw/zinc/31/21/70/1206312170.db2.gz DCDTWOFQSADJBZ-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)Cc1ccccc1 ZINC001110193883 1206312173 /nfs/dbraw/zinc/31/21/73/1206312173.db2.gz DCDTWOFQSADJBZ-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)Cc1ccccc1 ZINC001110193883 1206312177 /nfs/dbraw/zinc/31/21/77/1206312177.db2.gz DCDTWOFQSADJBZ-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)Cc1ccccc1 ZINC001110193883 1206312181 /nfs/dbraw/zinc/31/21/81/1206312181.db2.gz DCDTWOFQSADJBZ-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001177087670 1206329564 /nfs/dbraw/zinc/32/95/64/1206329564.db2.gz HNEMVYGROXYKNW-ZDUSSCGKSA-N 2 2 360.418 0.926 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001177087670 1206329567 /nfs/dbraw/zinc/32/95/67/1206329567.db2.gz HNEMVYGROXYKNW-ZDUSSCGKSA-N 2 2 360.418 0.926 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCC[NH2+]Cc1nnnn1C ZINC001179629908 1206384139 /nfs/dbraw/zinc/38/41/39/1206384139.db2.gz DNJVAJMZIAFCKG-ZIAGYGMSSA-N 2 2 360.466 0.514 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220584905 1224950253 /nfs/dbraw/zinc/95/02/53/1224950253.db2.gz ODAFUYABHRRZNC-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220584905 1224950258 /nfs/dbraw/zinc/95/02/58/1224950258.db2.gz ODAFUYABHRRZNC-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001184058445 1206464114 /nfs/dbraw/zinc/46/41/14/1206464114.db2.gz VPARPSJWECYPNQ-LPHOPBHVSA-N 2 2 369.506 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001185749642 1206485781 /nfs/dbraw/zinc/48/57/81/1206485781.db2.gz MBINYLMUEYETHC-FVQBIDKESA-N 2 2 371.441 0.624 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001185749560 1206485785 /nfs/dbraw/zinc/48/57/85/1206485785.db2.gz KUHRFBSLGKXPAM-MGPQQGTHSA-N 2 2 369.429 0.143 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001186034394 1206490889 /nfs/dbraw/zinc/49/08/89/1206490889.db2.gz SMDAPHFGOLMOSW-KRWDZBQOSA-N 2 2 363.458 0.080 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001186034394 1206490892 /nfs/dbraw/zinc/49/08/92/1206490892.db2.gz SMDAPHFGOLMOSW-KRWDZBQOSA-N 2 2 363.458 0.080 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001186051184 1206492533 /nfs/dbraw/zinc/49/25/33/1206492533.db2.gz XJKMBEQTCLLFTC-KRWDZBQOSA-N 2 2 362.474 0.763 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](O)C2)cc1 ZINC001186051184 1206492535 /nfs/dbraw/zinc/49/25/35/1206492535.db2.gz XJKMBEQTCLLFTC-KRWDZBQOSA-N 2 2 362.474 0.763 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001220638140 1224978161 /nfs/dbraw/zinc/97/81/61/1224978161.db2.gz TYPVHKOXBLIIIS-MSOLQXFVSA-N 2 2 365.449 0.598 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2O)CC1 ZINC001220638140 1224978165 /nfs/dbraw/zinc/97/81/65/1224978165.db2.gz TYPVHKOXBLIIIS-MSOLQXFVSA-N 2 2 365.449 0.598 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)CC[NH2+]1 ZINC001220651606 1224990229 /nfs/dbraw/zinc/99/02/29/1224990229.db2.gz LVFDLHDPZQFZSP-HOCLYGCPSA-N 2 2 360.458 0.254 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001273547001 1207387294 /nfs/dbraw/zinc/38/72/94/1207387294.db2.gz DUIGXDRYIOFPOH-UHFFFAOYSA-N 2 2 363.462 0.055 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212252 1207434548 /nfs/dbraw/zinc/43/45/48/1207434548.db2.gz DTMZULLBJKWPIV-UWWQBHOKSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212252 1207434551 /nfs/dbraw/zinc/43/45/51/1207434551.db2.gz DTMZULLBJKWPIV-UWWQBHOKSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212252 1207434554 /nfs/dbraw/zinc/43/45/54/1207434554.db2.gz DTMZULLBJKWPIV-UWWQBHOKSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212252 1207434556 /nfs/dbraw/zinc/43/45/56/1207434556.db2.gz DTMZULLBJKWPIV-UWWQBHOKSA-N 2 2 362.518 0.918 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322754 1207443730 /nfs/dbraw/zinc/44/37/30/1207443730.db2.gz MHSSPUJNHHEWGG-YYIAUSFCSA-N 2 2 366.506 0.155 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322754 1207443733 /nfs/dbraw/zinc/44/37/33/1207443733.db2.gz MHSSPUJNHHEWGG-YYIAUSFCSA-N 2 2 366.506 0.155 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322754 1207443734 /nfs/dbraw/zinc/44/37/34/1207443734.db2.gz MHSSPUJNHHEWGG-YYIAUSFCSA-N 2 2 366.506 0.155 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188322754 1207443735 /nfs/dbraw/zinc/44/37/35/1207443735.db2.gz MHSSPUJNHHEWGG-YYIAUSFCSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001188369315 1207447133 /nfs/dbraw/zinc/44/71/33/1207447133.db2.gz ITDXMWXNZPWJRK-SOLBZPMBSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001188369315 1207447135 /nfs/dbraw/zinc/44/71/35/1207447135.db2.gz ITDXMWXNZPWJRK-SOLBZPMBSA-N 2 2 371.485 0.504 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188374858 1207447875 /nfs/dbraw/zinc/44/78/75/1207447875.db2.gz DCZYLCVHLCPGFD-GVDBMIGSSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188374858 1207447878 /nfs/dbraw/zinc/44/78/78/1207447878.db2.gz DCZYLCVHLCPGFD-GVDBMIGSSA-N 2 2 362.474 0.641 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001188562021 1207463331 /nfs/dbraw/zinc/46/33/31/1207463331.db2.gz MFCMWBRITYCFSO-BHYGNILZSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001188562021 1207463334 /nfs/dbraw/zinc/46/33/34/1207463334.db2.gz MFCMWBRITYCFSO-BHYGNILZSA-N 2 2 359.474 0.639 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000867043175 1207469309 /nfs/dbraw/zinc/46/93/09/1207469309.db2.gz HKHLZDULOXAJMZ-GIHXKGJKSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000867043175 1207469311 /nfs/dbraw/zinc/46/93/11/1207469311.db2.gz HKHLZDULOXAJMZ-GIHXKGJKSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000867043178 1207469379 /nfs/dbraw/zinc/46/93/79/1207469379.db2.gz HKHLZDULOXAJMZ-ZYIDEWGLSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000867043178 1207469380 /nfs/dbraw/zinc/46/93/80/1207469380.db2.gz HKHLZDULOXAJMZ-ZYIDEWGLSA-N 2 2 373.497 0.874 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188723958 1207477446 /nfs/dbraw/zinc/47/74/46/1207477446.db2.gz KIYNSHVUBWCJJO-OKZBNKHCSA-N 2 2 364.490 0.839 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188723958 1207477449 /nfs/dbraw/zinc/47/74/49/1207477449.db2.gz KIYNSHVUBWCJJO-OKZBNKHCSA-N 2 2 364.490 0.839 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926839 1207487096 /nfs/dbraw/zinc/48/70/96/1207487096.db2.gz QDYATXOQGUSFML-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926839 1207487106 /nfs/dbraw/zinc/48/71/06/1207487106.db2.gz QDYATXOQGUSFML-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926839 1207487109 /nfs/dbraw/zinc/48/71/09/1207487109.db2.gz QDYATXOQGUSFML-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188926839 1207487114 /nfs/dbraw/zinc/48/71/14/1207487114.db2.gz QDYATXOQGUSFML-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246320 1207523646 /nfs/dbraw/zinc/52/36/46/1207523646.db2.gz OIPDPRIZJONERR-DZGCQCFKSA-N 2 2 362.478 0.583 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246320 1207523652 /nfs/dbraw/zinc/52/36/52/1207523652.db2.gz OIPDPRIZJONERR-DZGCQCFKSA-N 2 2 362.478 0.583 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424874 1207548340 /nfs/dbraw/zinc/54/83/40/1207548340.db2.gz GBQMSGKAAUOYJH-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424874 1207548346 /nfs/dbraw/zinc/54/83/46/1207548346.db2.gz GBQMSGKAAUOYJH-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](O)C1 ZINC001220673390 1225004835 /nfs/dbraw/zinc/00/48/35/1225004835.db2.gz VPGBICBPTWOCGO-OLMNPRSZSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](O)C1 ZINC001220673390 1225004844 /nfs/dbraw/zinc/00/48/44/1225004844.db2.gz VPGBICBPTWOCGO-OLMNPRSZSA-N 2 2 358.442 0.808 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001189788550 1207601525 /nfs/dbraw/zinc/60/15/25/1207601525.db2.gz YNUKDOOKOGUVHX-CGTJXYLNSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001189788550 1207601538 /nfs/dbraw/zinc/60/15/38/1207601538.db2.gz YNUKDOOKOGUVHX-CGTJXYLNSA-N 2 2 362.474 0.691 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220681599 1225008168 /nfs/dbraw/zinc/00/81/68/1225008168.db2.gz LLVTZVZQFKTSCP-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220681599 1225008177 /nfs/dbraw/zinc/00/81/77/1225008177.db2.gz LLVTZVZQFKTSCP-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220681599 1225008188 /nfs/dbraw/zinc/00/81/88/1225008188.db2.gz LLVTZVZQFKTSCP-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220681599 1225008195 /nfs/dbraw/zinc/00/81/95/1225008195.db2.gz LLVTZVZQFKTSCP-MOPGFXCFSA-N 2 2 371.485 0.875 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001189942451 1207627881 /nfs/dbraw/zinc/62/78/81/1207627881.db2.gz QFYPHIACFFACBZ-LZLYRXPVSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001189942451 1207627887 /nfs/dbraw/zinc/62/78/87/1207627887.db2.gz QFYPHIACFFACBZ-LZLYRXPVSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001190178003 1207657284 /nfs/dbraw/zinc/65/72/84/1207657284.db2.gz UADQNEHECDRTLG-DOTOQJQBSA-N 2 2 371.441 0.634 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001190178003 1207657290 /nfs/dbraw/zinc/65/72/90/1207657290.db2.gz UADQNEHECDRTLG-DOTOQJQBSA-N 2 2 371.441 0.634 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001190177504 1207657618 /nfs/dbraw/zinc/65/76/18/1207657618.db2.gz NPZBEWBSOPRNAH-BHYGNILZSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001190177504 1207657624 /nfs/dbraw/zinc/65/76/24/1207657624.db2.gz NPZBEWBSOPRNAH-BHYGNILZSA-N 2 2 361.490 0.885 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001190237386 1207672272 /nfs/dbraw/zinc/67/22/72/1207672272.db2.gz AZDVKPBVXDBROZ-RBSFLKMASA-N 2 2 360.462 0.288 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001190237386 1207672276 /nfs/dbraw/zinc/67/22/76/1207672276.db2.gz AZDVKPBVXDBROZ-RBSFLKMASA-N 2 2 360.462 0.288 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001190237386 1207672283 /nfs/dbraw/zinc/67/22/83/1207672283.db2.gz AZDVKPBVXDBROZ-RBSFLKMASA-N 2 2 360.462 0.288 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001190237386 1207672293 /nfs/dbraw/zinc/67/22/93/1207672293.db2.gz AZDVKPBVXDBROZ-RBSFLKMASA-N 2 2 360.462 0.288 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001190363509 1207680846 /nfs/dbraw/zinc/68/08/46/1207680846.db2.gz OWRSYRKLIRSQJI-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001190363509 1207680855 /nfs/dbraw/zinc/68/08/55/1207680855.db2.gz OWRSYRKLIRSQJI-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001190363509 1207680861 /nfs/dbraw/zinc/68/08/61/1207680861.db2.gz OWRSYRKLIRSQJI-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001190363509 1207680866 /nfs/dbraw/zinc/68/08/66/1207680866.db2.gz OWRSYRKLIRSQJI-GVDBMIGSSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190486796 1207687684 /nfs/dbraw/zinc/68/76/84/1207687684.db2.gz LOMNEXXZLMZUQX-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190486796 1207687688 /nfs/dbraw/zinc/68/76/88/1207687688.db2.gz LOMNEXXZLMZUQX-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486347 1207688538 /nfs/dbraw/zinc/68/85/38/1207688538.db2.gz CBLPCVNILONVPN-RYQLBKOJSA-N 2 2 358.486 0.786 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486347 1207688543 /nfs/dbraw/zinc/68/85/43/1207688543.db2.gz CBLPCVNILONVPN-RYQLBKOJSA-N 2 2 358.486 0.786 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486347 1207688547 /nfs/dbraw/zinc/68/85/47/1207688547.db2.gz CBLPCVNILONVPN-RYQLBKOJSA-N 2 2 358.486 0.786 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486347 1207688550 /nfs/dbraw/zinc/68/85/50/1207688550.db2.gz CBLPCVNILONVPN-RYQLBKOJSA-N 2 2 358.486 0.786 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+](C[C@H]4CCCO4)CC3)nc[nH+]2)CC1=O ZINC000775444894 1207763582 /nfs/dbraw/zinc/76/35/82/1207763582.db2.gz DSFOVUNZSMHZEN-MRXNPFEDSA-N 2 2 374.489 0.810 20 0 FCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469127 1207792488 /nfs/dbraw/zinc/79/24/88/1207792488.db2.gz SFNHLZAJVKVKSK-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469127 1207792495 /nfs/dbraw/zinc/79/24/95/1207792495.db2.gz SFNHLZAJVKVKSK-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193110264 1207858979 /nfs/dbraw/zinc/85/89/79/1207858979.db2.gz IDYLEYZLUIMSOY-IAGOWNOFSA-N 2 2 364.490 0.596 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193110264 1207858982 /nfs/dbraw/zinc/85/89/82/1207858982.db2.gz IDYLEYZLUIMSOY-IAGOWNOFSA-N 2 2 364.490 0.596 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)ccn1 ZINC001193745046 1207887415 /nfs/dbraw/zinc/88/74/15/1207887415.db2.gz BVVJPJMBWROVFC-HZPDHXFCSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)ccn1 ZINC001193745046 1207887417 /nfs/dbraw/zinc/88/74/17/1207887417.db2.gz BVVJPJMBWROVFC-HZPDHXFCSA-N 2 2 361.490 0.293 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773715 1207888052 /nfs/dbraw/zinc/88/80/52/1207888052.db2.gz CDINUHNATSEYDW-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774558 1207888484 /nfs/dbraw/zinc/88/84/84/1207888484.db2.gz PEVCVTCVXUYHFD-RBSFLKMASA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774558 1207888485 /nfs/dbraw/zinc/88/84/85/1207888485.db2.gz PEVCVTCVXUYHFD-RBSFLKMASA-N 2 2 368.522 0.325 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O ZINC001193756989 1207890262 /nfs/dbraw/zinc/89/02/62/1207890262.db2.gz WVCUORASFRHQKR-KZNAEPCWSA-N 2 2 363.506 0.555 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O ZINC001193756989 1207890263 /nfs/dbraw/zinc/89/02/63/1207890263.db2.gz WVCUORASFRHQKR-KZNAEPCWSA-N 2 2 363.506 0.555 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892329 1207896823 /nfs/dbraw/zinc/89/68/23/1207896823.db2.gz JZTHOIIYBNORFF-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892329 1207896825 /nfs/dbraw/zinc/89/68/25/1207896825.db2.gz JZTHOIIYBNORFF-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892329 1207896828 /nfs/dbraw/zinc/89/68/28/1207896828.db2.gz JZTHOIIYBNORFF-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892329 1207896829 /nfs/dbraw/zinc/89/68/29/1207896829.db2.gz JZTHOIIYBNORFF-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)ncn1 ZINC001194050130 1207911342 /nfs/dbraw/zinc/91/13/42/1207911342.db2.gz AJEAXCXWTBSCFT-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)ncn1 ZINC001194050130 1207911345 /nfs/dbraw/zinc/91/13/45/1207911345.db2.gz AJEAXCXWTBSCFT-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195007133 1207989475 /nfs/dbraw/zinc/98/94/75/1207989475.db2.gz YDOWUCTYGNWVLT-OWCLPIDISA-N 2 2 366.506 0.033 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)C1=O ZINC001195007133 1207989476 /nfs/dbraw/zinc/98/94/76/1207989476.db2.gz YDOWUCTYGNWVLT-OWCLPIDISA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677555 1208032549 /nfs/dbraw/zinc/03/25/49/1208032549.db2.gz SGKATVOIGZHPNU-BZUAXINKSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677555 1208032554 /nfs/dbraw/zinc/03/25/54/1208032554.db2.gz SGKATVOIGZHPNU-BZUAXINKSA-N 2 2 368.522 0.040 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195708159 1208035885 /nfs/dbraw/zinc/03/58/85/1208035885.db2.gz GNHFSGQDALDUTK-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195708159 1208035888 /nfs/dbraw/zinc/03/58/88/1208035888.db2.gz GNHFSGQDALDUTK-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1O ZINC001195869966 1208045054 /nfs/dbraw/zinc/04/50/54/1208045054.db2.gz GHJJRFUZKGQWCU-IAGOWNOFSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1O ZINC001195869966 1208045057 /nfs/dbraw/zinc/04/50/57/1208045057.db2.gz GHJJRFUZKGQWCU-IAGOWNOFSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1O)C2 ZINC001196169129 1208063204 /nfs/dbraw/zinc/06/32/04/1208063204.db2.gz PNOKWOGTDHFFKW-CGTJXYLNSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O)C2 ZINC001196169129 1208063207 /nfs/dbraw/zinc/06/32/07/1208063207.db2.gz PNOKWOGTDHFFKW-CGTJXYLNSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196207572 1208065993 /nfs/dbraw/zinc/06/59/93/1208065993.db2.gz QJTKEYOSZROSQB-USXIJHARSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196207572 1208065994 /nfs/dbraw/zinc/06/59/94/1208065994.db2.gz QJTKEYOSZROSQB-USXIJHARSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@H](C)[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cn1 ZINC001196207572 1208066000 /nfs/dbraw/zinc/06/60/00/1208066000.db2.gz QJTKEYOSZROSQB-USXIJHARSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@H](C)[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cn1 ZINC001196207572 1208066004 /nfs/dbraw/zinc/06/60/04/1208066004.db2.gz QJTKEYOSZROSQB-USXIJHARSA-N 2 2 363.506 0.985 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222211 1208067073 /nfs/dbraw/zinc/06/70/73/1208067073.db2.gz JWERTXWJEOJOGD-ARFHVFGLSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222211 1208067078 /nfs/dbraw/zinc/06/70/78/1208067078.db2.gz JWERTXWJEOJOGD-ARFHVFGLSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222211 1208067084 /nfs/dbraw/zinc/06/70/84/1208067084.db2.gz JWERTXWJEOJOGD-ARFHVFGLSA-N 2 2 370.538 0.286 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1O)[NH+](C)C ZINC001196276742 1208072157 /nfs/dbraw/zinc/07/21/57/1208072157.db2.gz WEVSPSLDBWELES-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1O)[NH+](C)C ZINC001196276742 1208072159 /nfs/dbraw/zinc/07/21/59/1208072159.db2.gz WEVSPSLDBWELES-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O)[NH+]1CCCC1 ZINC001196300821 1208075005 /nfs/dbraw/zinc/07/50/05/1208075005.db2.gz ZNNVUIOEFZMAMA-KBAYOESNSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)[NH+]1CCCC1 ZINC001196300821 1208075009 /nfs/dbraw/zinc/07/50/09/1208075009.db2.gz ZNNVUIOEFZMAMA-KBAYOESNSA-N 2 2 362.474 0.244 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O)C(C)C ZINC001197018797 1208132854 /nfs/dbraw/zinc/13/28/54/1208132854.db2.gz ZDTNCWNXHWJZMM-ZACQAIPSSA-N 2 2 368.522 0.040 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O)C(C)C ZINC001197018797 1208132856 /nfs/dbraw/zinc/13/28/56/1208132856.db2.gz ZDTNCWNXHWJZMM-ZACQAIPSSA-N 2 2 368.522 0.040 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001197140119 1208138321 /nfs/dbraw/zinc/13/83/21/1208138321.db2.gz SCEWNCFYTHZGIN-KZNAEPCWSA-N 2 2 369.506 0.075 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001197140119 1208138326 /nfs/dbraw/zinc/13/83/26/1208138326.db2.gz SCEWNCFYTHZGIN-KZNAEPCWSA-N 2 2 369.506 0.075 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001197428818 1208164280 /nfs/dbraw/zinc/16/42/80/1208164280.db2.gz VPGBICBPTWOCGO-ZTFGCOKTSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001197428818 1208164282 /nfs/dbraw/zinc/16/42/82/1208164282.db2.gz VPGBICBPTWOCGO-ZTFGCOKTSA-N 2 2 358.442 0.808 20 0 FCADLP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC2)cc1 ZINC001220743831 1225048543 /nfs/dbraw/zinc/04/85/43/1225048543.db2.gz RKUFJWXKGZNKNA-FFZOFVMBSA-N 3 2 372.513 0.768 20 0 FCADLP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746724 1225050310 /nfs/dbraw/zinc/05/03/10/1225050310.db2.gz LANXCYYVVGKRNR-CEXWTWQISA-N 2 2 371.485 0.737 20 0 FCADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746724 1225050321 /nfs/dbraw/zinc/05/03/21/1225050321.db2.gz LANXCYYVVGKRNR-CEXWTWQISA-N 2 2 371.485 0.737 20 0 FCADLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746724 1225050330 /nfs/dbraw/zinc/05/03/30/1225050330.db2.gz LANXCYYVVGKRNR-CEXWTWQISA-N 2 2 371.485 0.737 20 0 FCADLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220746724 1225050341 /nfs/dbraw/zinc/05/03/41/1225050341.db2.gz LANXCYYVVGKRNR-CEXWTWQISA-N 2 2 371.485 0.737 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198292018 1208235481 /nfs/dbraw/zinc/23/54/81/1208235481.db2.gz GOADVLNRLSODHS-FGTMMUONSA-N 2 2 364.490 0.455 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001198292018 1208235486 /nfs/dbraw/zinc/23/54/86/1208235486.db2.gz GOADVLNRLSODHS-FGTMMUONSA-N 2 2 364.490 0.455 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198557213 1208269107 /nfs/dbraw/zinc/26/91/07/1208269107.db2.gz QHJKSBOKUUJEGW-CQSZACIVSA-N 2 2 354.370 0.515 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001198690467 1208278467 /nfs/dbraw/zinc/27/84/67/1208278467.db2.gz XYMNZXSQSRHGDV-ZTFGCOKTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001198690467 1208278471 /nfs/dbraw/zinc/27/84/71/1208278471.db2.gz XYMNZXSQSRHGDV-ZTFGCOKTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O ZINC001198689754 1208278707 /nfs/dbraw/zinc/27/87/07/1208278707.db2.gz RMZVSUBORDMKRK-ZTFGCOKTSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O ZINC001198689754 1208278711 /nfs/dbraw/zinc/27/87/11/1208278711.db2.gz RMZVSUBORDMKRK-ZTFGCOKTSA-N 2 2 365.449 0.455 20 0 FCADLP COCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198774894 1208289918 /nfs/dbraw/zinc/28/99/18/1208289918.db2.gz CEALCOFAXJYOGS-UWWQBHOKSA-N 2 2 365.474 0.808 20 0 FCADLP COCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198774894 1208289924 /nfs/dbraw/zinc/28/99/24/1208289924.db2.gz CEALCOFAXJYOGS-UWWQBHOKSA-N 2 2 365.474 0.808 20 0 FCADLP COC(=O)c1ccc(CNC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)[nH]1 ZINC001199359968 1208342585 /nfs/dbraw/zinc/34/25/85/1208342585.db2.gz PQLIQFFSHJWJHT-UHFFFAOYSA-N 2 2 357.414 0.878 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cn1 ZINC001199369909 1208343878 /nfs/dbraw/zinc/34/38/78/1208343878.db2.gz AXQDZUGKJOQUTI-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cn1 ZINC001199369909 1208343882 /nfs/dbraw/zinc/34/38/82/1208343882.db2.gz AXQDZUGKJOQUTI-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199384620 1208345120 /nfs/dbraw/zinc/34/51/20/1208345120.db2.gz LARGQEWBWLLNIP-RTBURBONSA-N 2 2 363.502 0.952 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199384620 1208345122 /nfs/dbraw/zinc/34/51/22/1208345122.db2.gz LARGQEWBWLLNIP-RTBURBONSA-N 2 2 363.502 0.952 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199384620 1208345124 /nfs/dbraw/zinc/34/51/24/1208345124.db2.gz LARGQEWBWLLNIP-RTBURBONSA-N 2 2 363.502 0.952 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199384620 1208345128 /nfs/dbraw/zinc/34/51/28/1208345128.db2.gz LARGQEWBWLLNIP-RTBURBONSA-N 2 2 363.502 0.952 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764778 1225060401 /nfs/dbraw/zinc/06/04/01/1225060401.db2.gz WJUATVFTILEVIC-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220764778 1225060409 /nfs/dbraw/zinc/06/04/09/1225060409.db2.gz WJUATVFTILEVIC-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220764778 1225060418 /nfs/dbraw/zinc/06/04/18/1225060418.db2.gz WJUATVFTILEVIC-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220764778 1225060423 /nfs/dbraw/zinc/06/04/23/1225060423.db2.gz WJUATVFTILEVIC-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP C[NH2+][C@@H](COCc1ccccc1)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001220769424 1225063722 /nfs/dbraw/zinc/06/37/22/1225063722.db2.gz MQUQBFSHVGZQKE-SJORKVTESA-N 2 2 374.441 0.425 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220772340 1225064100 /nfs/dbraw/zinc/06/41/00/1225064100.db2.gz PGIAWIAFXJBGST-AEFFLSMTSA-N 2 2 362.474 0.739 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000867367159 1208433513 /nfs/dbraw/zinc/43/35/13/1208433513.db2.gz LKRXLFDFIGTHAJ-CALCHBBNSA-N 2 2 362.518 0.895 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000867367159 1208433514 /nfs/dbraw/zinc/43/35/14/1208433514.db2.gz LKRXLFDFIGTHAJ-CALCHBBNSA-N 2 2 362.518 0.895 20 0 FCADLP CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC001201041636 1208444883 /nfs/dbraw/zinc/44/48/83/1208444883.db2.gz DYPBNXQUHSFHHM-SQNIBIBYSA-N 2 2 369.506 0.483 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799191 1225080482 /nfs/dbraw/zinc/08/04/82/1225080482.db2.gz PUBWERHYDDBEML-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799191 1225080488 /nfs/dbraw/zinc/08/04/88/1225080488.db2.gz PUBWERHYDDBEML-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817423 1225087505 /nfs/dbraw/zinc/08/75/05/1225087505.db2.gz VZNPJPLSRKFYBL-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817423 1225087515 /nfs/dbraw/zinc/08/75/15/1225087515.db2.gz VZNPJPLSRKFYBL-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817423 1225087521 /nfs/dbraw/zinc/08/75/21/1225087521.db2.gz VZNPJPLSRKFYBL-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817423 1225087524 /nfs/dbraw/zinc/08/75/24/1225087524.db2.gz VZNPJPLSRKFYBL-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP COC(=O)[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220843296 1225102799 /nfs/dbraw/zinc/10/27/99/1225102799.db2.gz QWEDHYKUHKYDQF-ILXRZTDVSA-N 2 2 360.414 0.096 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001110617832 1209437457 /nfs/dbraw/zinc/43/74/57/1209437457.db2.gz JGCOPMAPEOZJNF-TWMKSMIVSA-N 2 2 368.497 0.914 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001110617832 1209437460 /nfs/dbraw/zinc/43/74/60/1209437460.db2.gz JGCOPMAPEOZJNF-TWMKSMIVSA-N 2 2 368.497 0.914 20 0 FCADLP O=C(NCC1CCN(C(=O)c2cccnc2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220928398 1225145590 /nfs/dbraw/zinc/14/55/90/1225145590.db2.gz OGHJJFWWWFBXRD-LPHOPBHVSA-N 2 2 357.458 0.002 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000853077021 1209582129 /nfs/dbraw/zinc/58/21/29/1209582129.db2.gz RXGMCVBXBLBAKX-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660373 1209582659 /nfs/dbraw/zinc/58/26/59/1209582659.db2.gz CBWQPABJDXUNJF-BDXSIMOUSA-N 2 2 363.506 0.960 20 0 FCADLP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660373 1209582662 /nfs/dbraw/zinc/58/26/62/1209582662.db2.gz CBWQPABJDXUNJF-BDXSIMOUSA-N 2 2 363.506 0.960 20 0 FCADLP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110661592 1209583696 /nfs/dbraw/zinc/58/36/96/1209583696.db2.gz ZLTQMPBYDMXFIQ-ZJPYXAASSA-N 2 2 363.506 0.961 20 0 FCADLP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110661592 1209583703 /nfs/dbraw/zinc/58/37/03/1209583703.db2.gz ZLTQMPBYDMXFIQ-ZJPYXAASSA-N 2 2 363.506 0.961 20 0 FCADLP O=C1OCCN1C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000853610033 1209601171 /nfs/dbraw/zinc/60/11/71/1209601171.db2.gz MEJVQIZFVLDUMR-SFHVURJKSA-N 2 2 364.446 0.777 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684610 1209627578 /nfs/dbraw/zinc/62/75/78/1209627578.db2.gz QZLXHLCPQZLGOQ-TUVASFSCSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684610 1209627579 /nfs/dbraw/zinc/62/75/79/1209627579.db2.gz QZLXHLCPQZLGOQ-TUVASFSCSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110684610 1209627581 /nfs/dbraw/zinc/62/75/81/1209627581.db2.gz QZLXHLCPQZLGOQ-TUVASFSCSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110684610 1209627582 /nfs/dbraw/zinc/62/75/82/1209627582.db2.gz QZLXHLCPQZLGOQ-TUVASFSCSA-N 2 2 365.478 0.038 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000857101848 1209740954 /nfs/dbraw/zinc/74/09/54/1209740954.db2.gz KCHKDSMKTIUYFD-HNAYVOBHSA-N 2 2 353.426 0.828 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718001 1209741861 /nfs/dbraw/zinc/74/18/61/1209741861.db2.gz SSJOMKPUOMPRMB-JJXSEGSLSA-N 2 2 366.506 0.201 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718001 1209741867 /nfs/dbraw/zinc/74/18/67/1209741867.db2.gz SSJOMKPUOMPRMB-JJXSEGSLSA-N 2 2 366.506 0.201 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)C2 ZINC001110740931 1209778739 /nfs/dbraw/zinc/77/87/39/1209778739.db2.gz JZRYPQNJMUCHED-JFTQMJAMSA-N 2 2 362.474 0.553 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001110740931 1209778745 /nfs/dbraw/zinc/77/87/45/1209778745.db2.gz JZRYPQNJMUCHED-JFTQMJAMSA-N 2 2 362.474 0.553 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)CC2 ZINC001110740931 1209778749 /nfs/dbraw/zinc/77/87/49/1209778749.db2.gz JZRYPQNJMUCHED-JFTQMJAMSA-N 2 2 362.474 0.553 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000861764366 1209880901 /nfs/dbraw/zinc/88/09/01/1209880901.db2.gz OTSRBXZMBXMZAN-OAHLLOKOSA-N 2 2 359.474 0.316 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000862274749 1209908383 /nfs/dbraw/zinc/90/83/83/1209908383.db2.gz DOJNFOSNMMUIAF-CQSZACIVSA-N 2 2 370.494 0.722 20 0 FCADLP Cn1cnc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1=O ZINC000888514178 1209908809 /nfs/dbraw/zinc/90/88/09/1209908809.db2.gz JLARKVKBKDMEQJ-UHFFFAOYSA-N 2 2 362.478 0.852 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@H](N3Cc4cccc(F)c4C3=O)CC2)C1 ZINC001220985549 1225175127 /nfs/dbraw/zinc/17/51/27/1225175127.db2.gz WFFSKGTXAGRKKR-YXWQFLTLSA-N 2 2 360.433 0.898 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)c1 ZINC000863755375 1209950460 /nfs/dbraw/zinc/95/04/60/1209950460.db2.gz NVVDYIVXSRTMRI-HUUCEWRRSA-N 2 2 362.474 0.706 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000794565135 1209953373 /nfs/dbraw/zinc/95/33/73/1209953373.db2.gz JZZNOXGWXAZKJL-SJORKVTESA-N 2 2 370.538 0.926 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000794565135 1209953374 /nfs/dbraw/zinc/95/33/74/1209953374.db2.gz JZZNOXGWXAZKJL-SJORKVTESA-N 2 2 370.538 0.926 20 0 FCADLP C[NH+](C)CCNC(=O)c1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000864847640 1209965456 /nfs/dbraw/zinc/96/54/56/1209965456.db2.gz ZQOQQRAZOURPKB-ONEGZZNKSA-N 2 2 360.458 0.805 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000866768145 1210005759 /nfs/dbraw/zinc/00/57/59/1210005759.db2.gz PLXRRPSDANFJLC-GIHXKGJKSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000866768145 1210005763 /nfs/dbraw/zinc/00/57/63/1210005763.db2.gz PLXRRPSDANFJLC-GIHXKGJKSA-N 2 2 373.497 0.874 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000868286542 1210049805 /nfs/dbraw/zinc/04/98/05/1210049805.db2.gz OKAGALMIVOGERR-SJORKVTESA-N 2 2 367.538 0.517 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000873102464 1210234704 /nfs/dbraw/zinc/23/47/04/1210234704.db2.gz KXAYDRSDYCAWJO-CQSZACIVSA-N 2 2 357.414 0.548 20 0 FCADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000874339030 1210305147 /nfs/dbraw/zinc/30/51/47/1210305147.db2.gz IMNAYBNTXXDPBM-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CC1=O ZINC000874893440 1210321368 /nfs/dbraw/zinc/32/13/68/1210321368.db2.gz RMMLISXQSNJGCS-WBVHZDCISA-N 2 2 362.449 0.709 20 0 FCADLP C[C@@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000877225904 1210439944 /nfs/dbraw/zinc/43/99/44/1210439944.db2.gz XPWLLKIDFGTWBF-INIZCTEOSA-N 2 2 358.486 0.587 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000879356045 1210479335 /nfs/dbraw/zinc/47/93/35/1210479335.db2.gz XGIBTKYOYWPLSP-GOSISDBHSA-N 2 2 370.494 0.064 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000879356045 1210479338 /nfs/dbraw/zinc/47/93/38/1210479338.db2.gz XGIBTKYOYWPLSP-GOSISDBHSA-N 2 2 370.494 0.064 20 0 FCADLP COC(=O)CC[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000880037056 1210512868 /nfs/dbraw/zinc/51/28/68/1210512868.db2.gz GHTCEAUKPJJSER-MRXNPFEDSA-N 2 2 369.506 0.879 20 0 FCADLP COC(=O)CC[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000880037056 1210512877 /nfs/dbraw/zinc/51/28/77/1210512877.db2.gz GHTCEAUKPJJSER-MRXNPFEDSA-N 2 2 369.506 0.879 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001221093385 1225220319 /nfs/dbraw/zinc/22/03/19/1225220319.db2.gz LISBHXRBRJQYMI-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001221093385 1225220326 /nfs/dbraw/zinc/22/03/26/1225220326.db2.gz LISBHXRBRJQYMI-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001221093385 1225220329 /nfs/dbraw/zinc/22/03/29/1225220329.db2.gz LISBHXRBRJQYMI-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001221093385 1225220333 /nfs/dbraw/zinc/22/03/33/1225220333.db2.gz LISBHXRBRJQYMI-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095663 1225221042 /nfs/dbraw/zinc/22/10/42/1225221042.db2.gz HIGDSXVYLZLVGA-CEXWTWQISA-N 2 2 371.485 0.427 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095663 1225221047 /nfs/dbraw/zinc/22/10/47/1225221047.db2.gz HIGDSXVYLZLVGA-CEXWTWQISA-N 2 2 371.485 0.427 20 0 FCADLP C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCN1c1cc[nH+]cc1 ZINC000882820930 1210636005 /nfs/dbraw/zinc/63/60/05/1210636005.db2.gz FUHMALAIUUNWIH-HNNXBMFYSA-N 2 2 367.457 0.865 20 0 FCADLP C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCN1c1cc[nH+]cc1 ZINC000882820930 1210636014 /nfs/dbraw/zinc/63/60/14/1210636014.db2.gz FUHMALAIUUNWIH-HNNXBMFYSA-N 2 2 367.457 0.865 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001202553466 1210662250 /nfs/dbraw/zinc/66/22/50/1210662250.db2.gz ZBYPGGKXIVGMFY-HZPDHXFCSA-N 2 2 359.474 0.630 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883385773 1210664970 /nfs/dbraw/zinc/66/49/70/1210664970.db2.gz SEQFQLUAOYKTPV-QGZVFWFLSA-N 2 2 369.554 0.765 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883385773 1210664973 /nfs/dbraw/zinc/66/49/73/1210664973.db2.gz SEQFQLUAOYKTPV-QGZVFWFLSA-N 2 2 369.554 0.765 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000800218346 1210713467 /nfs/dbraw/zinc/71/34/67/1210713467.db2.gz PUVNNBIGVAMSGE-BRWVUGGUSA-N 2 2 367.490 0.583 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000800218346 1210713469 /nfs/dbraw/zinc/71/34/69/1210713469.db2.gz PUVNNBIGVAMSGE-BRWVUGGUSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CC1=O ZINC000800218346 1210713472 /nfs/dbraw/zinc/71/34/72/1210713472.db2.gz PUVNNBIGVAMSGE-BRWVUGGUSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[N@H+]2CCO[C@H](C)C2)CC1=O ZINC000800218346 1210713474 /nfs/dbraw/zinc/71/34/74/1210713474.db2.gz PUVNNBIGVAMSGE-BRWVUGGUSA-N 2 2 367.490 0.583 20 0 FCADLP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000884197050 1210721860 /nfs/dbraw/zinc/72/18/60/1210721860.db2.gz JBLAZSXDBIQNAR-KRWDZBQOSA-N 2 2 359.474 0.428 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884205780 1210722800 /nfs/dbraw/zinc/72/28/00/1210722800.db2.gz FZZJPQCUXKKUDS-IAGOWNOFSA-N 2 2 360.506 0.938 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427120 1210734746 /nfs/dbraw/zinc/73/47/46/1210734746.db2.gz IHYKKWVZQRTQSG-DOTOQJQBSA-N 2 2 361.442 0.454 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884527880 1210745479 /nfs/dbraw/zinc/74/54/79/1210745479.db2.gz BPFNCUWJBIWZBP-QGZVFWFLSA-N 2 2 363.421 0.781 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634130 1210768951 /nfs/dbraw/zinc/76/89/51/1210768951.db2.gz ONNSPXMCCDHGDD-DZGCQCFKSA-N 2 2 366.412 0.650 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634130 1210768956 /nfs/dbraw/zinc/76/89/56/1210768956.db2.gz ONNSPXMCCDHGDD-DZGCQCFKSA-N 2 2 366.412 0.650 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1(C[NH3+])CCCCC1 ZINC000884643974 1210771129 /nfs/dbraw/zinc/77/11/29/1210771129.db2.gz ZGCQAOLMGYKFGZ-HNNXBMFYSA-N 2 2 359.474 0.897 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000884677684 1210778329 /nfs/dbraw/zinc/77/83/29/1210778329.db2.gz ALWCYDWSHBUPEW-DLBZAZTESA-N 2 2 362.449 0.899 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154131 1225241664 /nfs/dbraw/zinc/24/16/64/1225241664.db2.gz CIZYASYBQUYAKV-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154131 1225241673 /nfs/dbraw/zinc/24/16/73/1225241673.db2.gz CIZYASYBQUYAKV-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000884970052 1210806028 /nfs/dbraw/zinc/80/60/28/1210806028.db2.gz CNMRDKJLKHTUAE-GOEBONIOSA-N 2 2 360.458 0.956 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000885022646 1210809806 /nfs/dbraw/zinc/80/98/06/1210809806.db2.gz QXRRSNDPUDPVDT-XLIONFOSSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000885022646 1210809807 /nfs/dbraw/zinc/80/98/07/1210809807.db2.gz QXRRSNDPUDPVDT-XLIONFOSSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885023103 1210810215 /nfs/dbraw/zinc/81/02/15/1210810215.db2.gz WFYPFQLTDKBIFA-ZFWWWQNUSA-N 2 2 366.412 0.650 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885023103 1210810217 /nfs/dbraw/zinc/81/02/17/1210810217.db2.gz WFYPFQLTDKBIFA-ZFWWWQNUSA-N 2 2 366.412 0.650 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000885226915 1210816001 /nfs/dbraw/zinc/81/60/01/1210816001.db2.gz CSDJAGVPVJHEGZ-VYDXJSESSA-N 2 2 355.442 0.949 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885893029 1210821842 /nfs/dbraw/zinc/82/18/42/1210821842.db2.gz IQOKCZXYUSEIIE-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000885893029 1210821843 /nfs/dbraw/zinc/82/18/43/1210821843.db2.gz IQOKCZXYUSEIIE-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000885893029 1210821844 /nfs/dbraw/zinc/82/18/44/1210821844.db2.gz IQOKCZXYUSEIIE-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000885893029 1210821848 /nfs/dbraw/zinc/82/18/48/1210821848.db2.gz IQOKCZXYUSEIIE-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)CN1CC[NH+]1CCOCC1 ZINC000885993020 1210822660 /nfs/dbraw/zinc/82/26/60/1210822660.db2.gz WMIGQZMBMNAHCJ-SJORKVTESA-N 2 2 367.490 0.237 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1)OC ZINC001691712527 1210840429 /nfs/dbraw/zinc/84/04/29/1210840429.db2.gz PSODOBHNEZLUHV-IXDOHACOSA-N 2 2 360.462 0.626 20 0 FCADLP CCOC(=O)c1cc2n(n1)C[C@@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000887119003 1210848537 /nfs/dbraw/zinc/84/85/37/1210848537.db2.gz ZNVGBPDBHRWMKV-CQSZACIVSA-N 2 2 363.462 0.428 20 0 FCADLP CCOC(=O)c1cc2n(n1)C[C@@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000887119003 1210848538 /nfs/dbraw/zinc/84/85/38/1210848538.db2.gz ZNVGBPDBHRWMKV-CQSZACIVSA-N 2 2 363.462 0.428 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000887130911 1210849206 /nfs/dbraw/zinc/84/92/06/1210849206.db2.gz NGLBJJUELQCAIJ-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000887130911 1210849210 /nfs/dbraw/zinc/84/92/10/1210849210.db2.gz NGLBJJUELQCAIJ-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158508 1225244354 /nfs/dbraw/zinc/24/43/54/1225244354.db2.gz JGOKYMGNAOMLMK-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158508 1225244356 /nfs/dbraw/zinc/24/43/56/1225244356.db2.gz JGOKYMGNAOMLMK-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001221161689 1225246566 /nfs/dbraw/zinc/24/65/66/1225246566.db2.gz ZPZGUXPHCPMUAC-BBWFWOEESA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1O ZINC001221161689 1225246571 /nfs/dbraw/zinc/24/65/71/1225246571.db2.gz ZPZGUXPHCPMUAC-BBWFWOEESA-N 2 2 366.462 0.020 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1C ZINC000890162960 1210970825 /nfs/dbraw/zinc/97/08/25/1210970825.db2.gz ULIHYZFQDHANDF-HNNXBMFYSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1C ZINC000890162960 1210970828 /nfs/dbraw/zinc/97/08/28/1210970828.db2.gz ULIHYZFQDHANDF-HNNXBMFYSA-N 2 2 359.474 0.922 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720778 1210984889 /nfs/dbraw/zinc/98/48/89/1210984889.db2.gz CWBCUBZHHFLGOG-UHFFFAOYSA-N 2 2 362.474 0.981 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720778 1210984895 /nfs/dbraw/zinc/98/48/95/1210984895.db2.gz CWBCUBZHHFLGOG-UHFFFAOYSA-N 2 2 362.474 0.981 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274424081 1211050656 /nfs/dbraw/zinc/05/06/56/1211050656.db2.gz YAGOUGLPITVFBU-ROUUACIJSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CC2(CN(C(=O)C3C[NH+]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001274707481 1211106694 /nfs/dbraw/zinc/10/66/94/1211106694.db2.gz AYQJDJGSLXBGLM-OAHLLOKOSA-N 2 2 364.490 0.702 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCCN(C(=O)[C@@H]2C[C@H](O)C[N@@H+]2C)C3)n(C)n1 ZINC001274908717 1211142058 /nfs/dbraw/zinc/14/20/58/1211142058.db2.gz NOXYNNVYVPNTNO-IRXDYDNUSA-N 2 2 361.490 0.218 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCCN(C(=O)[C@@H]2C[C@H](O)C[N@H+]2C)C3)n(C)n1 ZINC001274908717 1211142060 /nfs/dbraw/zinc/14/20/60/1211142060.db2.gz NOXYNNVYVPNTNO-IRXDYDNUSA-N 2 2 361.490 0.218 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H](O)C[N@@H+]2C)CC3)n(C)n1 ZINC001274908401 1211142218 /nfs/dbraw/zinc/14/22/18/1211142218.db2.gz LMVXQSOCOQIFON-IRXDYDNUSA-N 2 2 361.490 0.218 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H](O)C[N@H+]2C)CC3)n(C)n1 ZINC001274908401 1211142221 /nfs/dbraw/zinc/14/22/21/1211142221.db2.gz LMVXQSOCOQIFON-IRXDYDNUSA-N 2 2 361.490 0.218 20 0 FCADLP CCC[C@H](C)C[NH+]1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275081739 1211174096 /nfs/dbraw/zinc/17/40/96/1211174096.db2.gz IIGUTROAMQIXSR-SFHVURJKSA-N 2 2 366.550 0.973 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC[NH+](CCN1CCOCC1)CC2 ZINC001275287253 1211208540 /nfs/dbraw/zinc/20/85/40/1211208540.db2.gz LXXNIMOWIRWLFC-QGZVFWFLSA-N 2 2 361.490 0.471 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](CCCC3OCCO3)C2)CN1CCn1cc[nH+]c1 ZINC001275294465 1211210711 /nfs/dbraw/zinc/21/07/11/1211210711.db2.gz WIIVHIREFPFAJY-GOSISDBHSA-N 2 2 364.446 0.340 20 0 FCADLP O=C1CO[C@@]2(CC[N@@H+](CCCC3OCCO3)C2)CN1CCn1cc[nH+]c1 ZINC001275294465 1211210716 /nfs/dbraw/zinc/21/07/16/1211210716.db2.gz WIIVHIREFPFAJY-GOSISDBHSA-N 2 2 364.446 0.340 20 0 FCADLP Cn1cc(C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001275302485 1211211939 /nfs/dbraw/zinc/21/19/39/1211211939.db2.gz SQAULQDSBMBMJS-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cc(C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001275302485 1211211940 /nfs/dbraw/zinc/21/19/40/1211211940.db2.gz SQAULQDSBMBMJS-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP O=c1cc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cc[nH]1 ZINC001275460641 1211244031 /nfs/dbraw/zinc/24/40/31/1211244031.db2.gz OGAYYWFDQJITNA-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP O=c1cc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cc[nH]1 ZINC001275460641 1211244032 /nfs/dbraw/zinc/24/40/32/1211244032.db2.gz OGAYYWFDQJITNA-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596805 1211261920 /nfs/dbraw/zinc/26/19/20/1211261920.db2.gz XHAXEUOYPUWOEW-IBGZPJMESA-N 2 2 360.506 0.472 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596805 1211261923 /nfs/dbraw/zinc/26/19/23/1211261923.db2.gz XHAXEUOYPUWOEW-IBGZPJMESA-N 2 2 360.506 0.472 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596805 1211261927 /nfs/dbraw/zinc/26/19/27/1211261927.db2.gz XHAXEUOYPUWOEW-IBGZPJMESA-N 2 2 360.506 0.472 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596805 1211261929 /nfs/dbraw/zinc/26/19/29/1211261929.db2.gz XHAXEUOYPUWOEW-IBGZPJMESA-N 2 2 360.506 0.472 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736080 1211278521 /nfs/dbraw/zinc/27/85/21/1211278521.db2.gz AGOJMYNTVDLPJL-IBGZPJMESA-N 3 2 359.474 0.761 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001275736080 1211278523 /nfs/dbraw/zinc/27/85/23/1211278523.db2.gz AGOJMYNTVDLPJL-IBGZPJMESA-N 3 2 359.474 0.761 20 0 FCADLP CC1(C)OC[C@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001275812588 1211289513 /nfs/dbraw/zinc/28/95/13/1211289513.db2.gz AQAHPFKHLNGZBB-MAUKXSAKSA-N 2 2 364.446 0.338 20 0 FCADLP CC1(C)OC[C@H](C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001275812588 1211289516 /nfs/dbraw/zinc/28/95/16/1211289516.db2.gz AQAHPFKHLNGZBB-MAUKXSAKSA-N 2 2 364.446 0.338 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](CCCn3cccn3)C2)OCC1=O ZINC001275830387 1211293243 /nfs/dbraw/zinc/29/32/43/1211293243.db2.gz MXKCOAUMNRYQEH-GOSISDBHSA-N 2 2 358.446 0.510 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](CCCn3cccn3)C2)OCC1=O ZINC001275830387 1211293244 /nfs/dbraw/zinc/29/32/44/1211293244.db2.gz MXKCOAUMNRYQEH-GOSISDBHSA-N 2 2 358.446 0.510 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C1CC[NH+](C3CC3)CC1)C2 ZINC001275857290 1211298812 /nfs/dbraw/zinc/29/88/12/1211298812.db2.gz XGDAUFNHTSTFSX-UHFFFAOYSA-N 2 2 362.518 0.873 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302765 /nfs/dbraw/zinc/30/27/65/1211302765.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302769 /nfs/dbraw/zinc/30/27/69/1211302769.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302770 /nfs/dbraw/zinc/30/27/70/1211302770.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878600 1211302772 /nfs/dbraw/zinc/30/27/72/1211302772.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878600 1211302776 /nfs/dbraw/zinc/30/27/76/1211302776.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 3 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878600 1211302779 /nfs/dbraw/zinc/30/27/79/1211302779.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878600 1211302781 /nfs/dbraw/zinc/30/27/81/1211302781.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878600 1211302783 /nfs/dbraw/zinc/30/27/83/1211302783.db2.gz LVQUOFZSCHRMMF-HKUYNNGSSA-N 3 2 361.490 0.528 20 0 FCADLP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(Cc2cncn2C)C(=O)CO3)CC1 ZINC001275879331 1211304350 /nfs/dbraw/zinc/30/43/50/1211304350.db2.gz NENHANBJMFKDLB-UHFFFAOYSA-N 2 2 361.490 0.565 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@@H+]2CC1C(=O)N=CNC1=O ZINC001275896353 1211308374 /nfs/dbraw/zinc/30/83/74/1211308374.db2.gz XXQWWNSBWWDXCZ-KRWDZBQOSA-N 2 2 358.402 0.351 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@H+]2CC1C(=O)N=CNC1=O ZINC001275896353 1211308376 /nfs/dbraw/zinc/30/83/76/1211308376.db2.gz XXQWWNSBWWDXCZ-KRWDZBQOSA-N 2 2 358.402 0.351 20 0 FCADLP CC(=O)Oc1cccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)c1 ZINC001276081243 1211347353 /nfs/dbraw/zinc/34/73/53/1211347353.db2.gz FWIWNQFXUWWYBM-UHFFFAOYSA-N 2 2 361.442 0.587 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(N)nc1)CC2 ZINC001276088482 1211350004 /nfs/dbraw/zinc/35/00/04/1211350004.db2.gz CJBQMUSITIQQTO-OAHLLOKOSA-N 2 2 355.446 0.711 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1ccc(OCCO)cc1)C2 ZINC001276226461 1211384954 /nfs/dbraw/zinc/38/49/54/1211384954.db2.gz IDOJXEJATHJMIK-UHFFFAOYSA-N 2 2 363.458 0.033 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248961 1211392731 /nfs/dbraw/zinc/39/27/31/1211392731.db2.gz YINNVQSZNSSOHF-KDOFPFPSSA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248961 1211392733 /nfs/dbraw/zinc/39/27/33/1211392733.db2.gz YINNVQSZNSSOHF-KDOFPFPSSA-N 2 2 362.430 0.533 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1CCCc2[nH+]ccn21 ZINC001095531764 1211398310 /nfs/dbraw/zinc/39/83/10/1211398310.db2.gz QZAYBDPYZZZOSD-FXUDXRNXSA-N 2 2 372.473 0.507 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@H]1CCCc2[nH+]ccn21 ZINC001095531764 1211398313 /nfs/dbraw/zinc/39/83/13/1211398313.db2.gz QZAYBDPYZZZOSD-FXUDXRNXSA-N 2 2 372.473 0.507 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001095641249 1211432936 /nfs/dbraw/zinc/43/29/36/1211432936.db2.gz YWBHWFBGXRGPQB-JHNDHUHGSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001095641249 1211432938 /nfs/dbraw/zinc/43/29/38/1211432938.db2.gz YWBHWFBGXRGPQB-JHNDHUHGSA-N 2 2 355.446 0.459 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000925588080 1211503223 /nfs/dbraw/zinc/50/32/23/1211503223.db2.gz SNZOIIHLBLBOQL-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000925588080 1211503225 /nfs/dbraw/zinc/50/32/25/1211503225.db2.gz SNZOIIHLBLBOQL-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000925768336 1211508270 /nfs/dbraw/zinc/50/82/70/1211508270.db2.gz JOUHUBZNSWRZHB-MUGJNUQGSA-N 3 2 366.550 0.530 20 0 FCADLP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221311675 1225294540 /nfs/dbraw/zinc/29/45/40/1225294540.db2.gz GKDBWJRECZPZTQ-KZULUSFZSA-N 2 2 356.382 0.638 20 0 FCADLP Cn1c2ccccc2nc1[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001221332323 1225299322 /nfs/dbraw/zinc/29/93/22/1225299322.db2.gz KKAOQWQOQSXZCN-ISTRZQFTSA-N 2 2 350.426 0.863 20 0 FCADLP Cn1c2ccccc2nc1[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001221332337 1225299480 /nfs/dbraw/zinc/29/94/80/1225299480.db2.gz KKAOQWQOQSXZCN-YLQAJVPDSA-N 2 2 350.426 0.863 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001221337496 1225299656 /nfs/dbraw/zinc/29/96/56/1225299656.db2.gz LMMNYAIPANFBPZ-SJLPKXTDSA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2ccnn2)cc1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001221337496 1225299661 /nfs/dbraw/zinc/29/96/61/1225299661.db2.gz LMMNYAIPANFBPZ-SJLPKXTDSA-N 2 2 354.458 0.957 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000929863604 1211665394 /nfs/dbraw/zinc/66/53/94/1211665394.db2.gz NLCPSNRHWJVISA-SJORKVTESA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000929863604 1211665398 /nfs/dbraw/zinc/66/53/98/1211665398.db2.gz NLCPSNRHWJVISA-SJORKVTESA-N 2 2 368.522 0.260 20 0 FCADLP C[C@H](C(=O)NCc1ccco1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980297 1211684658 /nfs/dbraw/zinc/68/46/58/1211684658.db2.gz YJZBKXMSVRUNFJ-SRABZTEZSA-N 2 2 362.474 0.958 20 0 FCADLP C[C@H](C(=O)NCc1ccco1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980297 1211684661 /nfs/dbraw/zinc/68/46/61/1211684661.db2.gz YJZBKXMSVRUNFJ-SRABZTEZSA-N 2 2 362.474 0.958 20 0 FCADLP Cn1cc(N2CC[C@H]([N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001110979930 1211685336 /nfs/dbraw/zinc/68/53/36/1211685336.db2.gz JGUHMONIPYKZHW-SIXLDLHFSA-N 2 2 374.489 0.199 20 0 FCADLP Cn1cc(N2CC[C@H]([N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001110979930 1211685342 /nfs/dbraw/zinc/68/53/42/1211685342.db2.gz JGUHMONIPYKZHW-SIXLDLHFSA-N 2 2 374.489 0.199 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906536 1211728132 /nfs/dbraw/zinc/72/81/32/1211728132.db2.gz ZWLKAWTWNUISDI-KURKYZTESA-N 2 2 366.458 0.520 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906536 1211728134 /nfs/dbraw/zinc/72/81/34/1211728134.db2.gz ZWLKAWTWNUISDI-KURKYZTESA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906536 1211728138 /nfs/dbraw/zinc/72/81/38/1211728138.db2.gz ZWLKAWTWNUISDI-KURKYZTESA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906536 1211728141 /nfs/dbraw/zinc/72/81/41/1211728141.db2.gz ZWLKAWTWNUISDI-KURKYZTESA-N 2 2 366.458 0.520 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)CC1 ZINC000931101637 1211740168 /nfs/dbraw/zinc/74/01/68/1211740168.db2.gz OAFFPXBDKBIDDM-UHFFFAOYSA-N 2 2 361.490 0.874 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3nc[nH]c3C23CCOCC3)CC1 ZINC000931101637 1211740175 /nfs/dbraw/zinc/74/01/75/1211740175.db2.gz OAFFPXBDKBIDDM-UHFFFAOYSA-N 2 2 361.490 0.874 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]21 ZINC000931279253 1211748846 /nfs/dbraw/zinc/74/88/46/1211748846.db2.gz FLCVPVKLQJTTTR-RUYXUALKSA-N 2 2 358.486 0.949 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000947073321 1211780142 /nfs/dbraw/zinc/78/01/42/1211780142.db2.gz RDWFXBXGIDZGBI-BFYDXBDKSA-N 2 2 359.474 0.961 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446688 1225316158 /nfs/dbraw/zinc/31/61/58/1225316158.db2.gz RAVZLYHETZFSNR-CEXWTWQISA-N 2 2 370.497 0.930 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446688 1225316161 /nfs/dbraw/zinc/31/61/61/1225316161.db2.gz RAVZLYHETZFSNR-CEXWTWQISA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446688 1225316166 /nfs/dbraw/zinc/31/61/66/1225316166.db2.gz RAVZLYHETZFSNR-CEXWTWQISA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001221446688 1225316172 /nfs/dbraw/zinc/31/61/72/1225316172.db2.gz RAVZLYHETZFSNR-CEXWTWQISA-N 2 2 370.497 0.930 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198392 1211923823 /nfs/dbraw/zinc/92/38/23/1211923823.db2.gz WYEVVMFODREGDY-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198392 1211923824 /nfs/dbraw/zinc/92/38/24/1211923824.db2.gz WYEVVMFODREGDY-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095740840 1211951348 /nfs/dbraw/zinc/95/13/48/1211951348.db2.gz DPMMILZKVAQOBY-IWCQGFGOSA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095740840 1211951356 /nfs/dbraw/zinc/95/13/56/1211951356.db2.gz DPMMILZKVAQOBY-IWCQGFGOSA-N 2 2 368.441 0.866 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3nccn3C)C2)O1 ZINC001017151955 1211980915 /nfs/dbraw/zinc/98/09/15/1211980915.db2.gz IYNVDZQUHRMESG-BRWVUGGUSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3nccn3C)C2)O1 ZINC001017151955 1211980919 /nfs/dbraw/zinc/98/09/19/1211980919.db2.gz IYNVDZQUHRMESG-BRWVUGGUSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3nccn3C)C2)O1 ZINC001017151955 1211980926 /nfs/dbraw/zinc/98/09/26/1211980926.db2.gz IYNVDZQUHRMESG-BRWVUGGUSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3nccn3C)C2)O1 ZINC001017151955 1211980932 /nfs/dbraw/zinc/98/09/32/1211980932.db2.gz IYNVDZQUHRMESG-BRWVUGGUSA-N 2 2 363.506 0.810 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001095769316 1211983569 /nfs/dbraw/zinc/98/35/69/1211983569.db2.gz HFYRIFDFFFDSOL-LTIDMASMSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001095769316 1211983579 /nfs/dbraw/zinc/98/35/79/1211983579.db2.gz HFYRIFDFFFDSOL-LTIDMASMSA-N 2 2 359.474 0.922 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784292 1212000395 /nfs/dbraw/zinc/00/03/95/1212000395.db2.gz LONIVTKNPHNIHJ-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784292 1212000399 /nfs/dbraw/zinc/00/03/99/1212000399.db2.gz LONIVTKNPHNIHJ-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784292 1212000401 /nfs/dbraw/zinc/00/04/01/1212000401.db2.gz LONIVTKNPHNIHJ-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784292 1212000403 /nfs/dbraw/zinc/00/04/03/1212000403.db2.gz LONIVTKNPHNIHJ-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000947456870 1212033467 /nfs/dbraw/zinc/03/34/67/1212033467.db2.gz IKWVCSSBWQJNPF-HZPDHXFCSA-N 2 2 370.457 0.836 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1)C1CCC1 ZINC000968604069 1212042803 /nfs/dbraw/zinc/04/28/03/1212042803.db2.gz AMNGTAGYJUCENS-SJORKVTESA-N 2 2 371.441 0.349 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC000947797305 1212081047 /nfs/dbraw/zinc/08/10/47/1212081047.db2.gz CZTLWYAKRODCLD-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC000947797305 1212081051 /nfs/dbraw/zinc/08/10/51/1212081051.db2.gz CZTLWYAKRODCLD-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000968921128 1212181686 /nfs/dbraw/zinc/18/16/86/1212181686.db2.gz JZIZQCATRBFDOP-LVQVYYBASA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000968921128 1212181687 /nfs/dbraw/zinc/18/16/87/1212181687.db2.gz JZIZQCATRBFDOP-LVQVYYBASA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC000948542168 1212197180 /nfs/dbraw/zinc/19/71/80/1212197180.db2.gz NVEXQBKJEZHYHU-BFYDXBDKSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC000948542168 1212197184 /nfs/dbraw/zinc/19/71/84/1212197184.db2.gz NVEXQBKJEZHYHU-BFYDXBDKSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3cnnn3C)CC2)O1 ZINC000948542168 1212197189 /nfs/dbraw/zinc/19/71/89/1212197189.db2.gz NVEXQBKJEZHYHU-BFYDXBDKSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3cnnn3C)CC2)O1 ZINC000948542168 1212197195 /nfs/dbraw/zinc/19/71/95/1212197195.db2.gz NVEXQBKJEZHYHU-BFYDXBDKSA-N 2 2 364.494 0.347 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000968956803 1212197888 /nfs/dbraw/zinc/19/78/88/1212197888.db2.gz NIXGBWIIFZUNEC-CVEARBPZSA-N 2 2 368.397 0.070 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277523 1212202444 /nfs/dbraw/zinc/20/24/44/1212202444.db2.gz WDTIAZWJVCZKLV-HZMVEIRTSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277523 1212202446 /nfs/dbraw/zinc/20/24/46/1212202446.db2.gz WDTIAZWJVCZKLV-HZMVEIRTSA-N 2 2 368.522 0.447 20 0 FCADLP 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/nfs/dbraw/zinc/47/18/23/1225471823.db2.gz PVCPFWCJTRGWGD-ZACQAIPSSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221764025 1225471825 /nfs/dbraw/zinc/47/18/25/1225471825.db2.gz PVCPFWCJTRGWGD-ZACQAIPSSA-N 2 2 366.506 0.153 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001221772269 1225475936 /nfs/dbraw/zinc/47/59/36/1225475936.db2.gz RKFWWPNEJNZHET-IAGOWNOFSA-N 2 2 362.518 0.777 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001221772269 1225475940 /nfs/dbraw/zinc/47/59/40/1225475940.db2.gz RKFWWPNEJNZHET-IAGOWNOFSA-N 2 2 362.518 0.777 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789330 1225480711 /nfs/dbraw/zinc/48/07/11/1225480711.db2.gz PYSSYMLLTDDCFQ-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789330 1225480717 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/nfs/dbraw/zinc/09/18/46/1214091846.db2.gz CGGRWCBEELZCJN-ZACQAIPSSA-N 2 2 371.485 0.893 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC[N@@H+]1C ZINC001017492102 1214104045 /nfs/dbraw/zinc/10/40/45/1214104045.db2.gz XQJYIWQTMNGLNJ-DLBZAZTESA-N 2 2 359.474 0.957 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC[N@H+]1C ZINC001017492102 1214104052 /nfs/dbraw/zinc/10/40/52/1214104052.db2.gz XQJYIWQTMNGLNJ-DLBZAZTESA-N 2 2 359.474 0.957 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)C1 ZINC001019037744 1214183489 /nfs/dbraw/zinc/18/34/89/1214183489.db2.gz AGYYCMXITBODAZ-RBSFLKMASA-N 2 2 357.458 0.526 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)C1 ZINC001019037744 1214183492 /nfs/dbraw/zinc/18/34/92/1214183492.db2.gz AGYYCMXITBODAZ-RBSFLKMASA-N 2 2 357.458 0.526 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)C1 ZINC001019037744 1214183496 /nfs/dbraw/zinc/18/34/96/1214183496.db2.gz AGYYCMXITBODAZ-RBSFLKMASA-N 2 2 357.458 0.526 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)C1 ZINC001019037744 1214183497 /nfs/dbraw/zinc/18/34/97/1214183497.db2.gz AGYYCMXITBODAZ-RBSFLKMASA-N 2 2 357.458 0.526 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2)C1CC1 ZINC001019108272 1214197817 /nfs/dbraw/zinc/19/78/17/1214197817.db2.gz LBCOWZDKLJENKS-INMHGKMJSA-N 2 2 371.485 0.914 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@@H+]1C ZINC000961669185 1214263622 /nfs/dbraw/zinc/26/36/22/1214263622.db2.gz OACHPLQCQSOFJE-XUWVNRHRSA-N 2 2 359.474 0.599 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@H+]1C ZINC000961669185 1214263625 /nfs/dbraw/zinc/26/36/25/1214263625.db2.gz OACHPLQCQSOFJE-XUWVNRHRSA-N 2 2 359.474 0.599 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221871849 1225515923 /nfs/dbraw/zinc/51/59/23/1225515923.db2.gz JXCSAAQHIMYHPJ-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221871849 1225515928 /nfs/dbraw/zinc/51/59/28/1225515928.db2.gz JXCSAAQHIMYHPJ-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872295 1225516108 /nfs/dbraw/zinc/51/61/08/1225516108.db2.gz WFKKKKDMPWAHFY-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872295 1225516109 /nfs/dbraw/zinc/51/61/09/1225516109.db2.gz WFKKKKDMPWAHFY-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287696 1214330066 /nfs/dbraw/zinc/33/00/66/1214330066.db2.gz GZKQGORLBKQBQG-XVIXHAIJSA-N 2 2 367.450 0.233 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287696 1214330074 /nfs/dbraw/zinc/33/00/74/1214330074.db2.gz GZKQGORLBKQBQG-XVIXHAIJSA-N 2 2 367.450 0.233 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccnc(N(C)C)c2)O1 ZINC001038395815 1214354273 /nfs/dbraw/zinc/35/42/73/1214354273.db2.gz KIGQRWYADGLKLF-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccnc(N(C)C)c2)O1 ZINC001038395815 1214354276 /nfs/dbraw/zinc/35/42/76/1214354276.db2.gz KIGQRWYADGLKLF-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccnc(N(C)C)c2)O1 ZINC001038395815 1214354280 /nfs/dbraw/zinc/35/42/80/1214354280.db2.gz KIGQRWYADGLKLF-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccnc(N(C)C)c2)O1 ZINC001038395815 1214354285 /nfs/dbraw/zinc/35/42/85/1214354285.db2.gz KIGQRWYADGLKLF-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc3nonc3c2)O1 ZINC001038399511 1214354762 /nfs/dbraw/zinc/35/47/62/1214354762.db2.gz MGWMONMYRBPZGD-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc3nonc3c2)O1 ZINC001038399511 1214354770 /nfs/dbraw/zinc/35/47/70/1214354770.db2.gz MGWMONMYRBPZGD-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc3nonc3c2)O1 ZINC001038399511 1214354771 /nfs/dbraw/zinc/35/47/71/1214354771.db2.gz MGWMONMYRBPZGD-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc3nonc3c2)O1 ZINC001038399511 1214354777 /nfs/dbraw/zinc/35/47/77/1214354777.db2.gz MGWMONMYRBPZGD-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC000961989940 1214393639 /nfs/dbraw/zinc/39/36/39/1214393639.db2.gz IALHTCIIOMTTHX-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC000961989940 1214393646 /nfs/dbraw/zinc/39/36/46/1214393646.db2.gz IALHTCIIOMTTHX-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)n2)C3)CC[N@@H+]1C ZINC001040209136 1214484925 /nfs/dbraw/zinc/48/49/25/1214484925.db2.gz GGPZUFKBOKVXBV-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2cnn(C)n2)C3)CC[N@H+]1C ZINC001040209136 1214484927 /nfs/dbraw/zinc/48/49/27/1214484927.db2.gz GGPZUFKBOKVXBV-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)n2)C3)CC[NH+]1C ZINC001040209136 1214484931 /nfs/dbraw/zinc/48/49/31/1214484931.db2.gz GGPZUFKBOKVXBV-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)n2)C3)CC[NH+]1C ZINC001040209136 1214484936 /nfs/dbraw/zinc/48/49/36/1214484936.db2.gz GGPZUFKBOKVXBV-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cnon2)CC3)O1 ZINC001040745492 1214580262 /nfs/dbraw/zinc/58/02/62/1214580262.db2.gz MMLLFHBCVAAHTD-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2cnon2)CC3)O1 ZINC001040745492 1214580268 /nfs/dbraw/zinc/58/02/68/1214580268.db2.gz MMLLFHBCVAAHTD-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000963149540 1214750754 /nfs/dbraw/zinc/75/07/54/1214750754.db2.gz DHGDPRZZRJUIQA-MWQQHZPXSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000963149540 1214750757 /nfs/dbraw/zinc/75/07/57/1214750757.db2.gz DHGDPRZZRJUIQA-MWQQHZPXSA-N 2 2 359.474 0.884 20 0 FCADLP Cc1nnc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000963519841 1214817526 /nfs/dbraw/zinc/81/75/26/1214817526.db2.gz NLEQEOUUXAZQFG-TWRYWWQQSA-N 2 2 364.494 0.691 20 0 FCADLP Cc1nnc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000963519841 1214817528 /nfs/dbraw/zinc/81/75/28/1214817528.db2.gz NLEQEOUUXAZQFG-TWRYWWQQSA-N 2 2 364.494 0.691 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3O)ccn12 ZINC000963806936 1214854363 /nfs/dbraw/zinc/85/43/63/1214854363.db2.gz OCGDPDWASQPLDA-PMPSAXMXSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3O)ccn12 ZINC000963806936 1214854364 /nfs/dbraw/zinc/85/43/64/1214854364.db2.gz OCGDPDWASQPLDA-PMPSAXMXSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001221979567 1225560661 /nfs/dbraw/zinc/56/06/61/1225560661.db2.gz IIVLWLPIYTVECR-JFIYKMOQSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001221979567 1225560665 /nfs/dbraw/zinc/56/06/65/1225560665.db2.gz IIVLWLPIYTVECR-JFIYKMOQSA-N 2 2 362.474 0.989 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001222013390 1225575433 /nfs/dbraw/zinc/57/54/33/1225575433.db2.gz CKIYMAUSJNUHRZ-CEXWTWQISA-N 2 2 370.497 0.787 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001222013390 1225575441 /nfs/dbraw/zinc/57/54/41/1225575441.db2.gz CKIYMAUSJNUHRZ-CEXWTWQISA-N 2 2 370.497 0.787 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001222013390 1225575448 /nfs/dbraw/zinc/57/54/48/1225575448.db2.gz CKIYMAUSJNUHRZ-CEXWTWQISA-N 2 2 370.497 0.787 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCc4ccccc4)C[C@H]32)C1 ZINC001222013390 1225575455 /nfs/dbraw/zinc/57/54/55/1225575455.db2.gz CKIYMAUSJNUHRZ-CEXWTWQISA-N 2 2 370.497 0.787 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000652889450 1215263470 /nfs/dbraw/zinc/26/34/70/1215263470.db2.gz STHSKLNIBIJULR-LJQANCHMSA-N 2 2 358.486 0.325 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000652889450 1215263473 /nfs/dbraw/zinc/26/34/73/1215263473.db2.gz STHSKLNIBIJULR-LJQANCHMSA-N 2 2 358.486 0.325 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001276829114 1225618576 /nfs/dbraw/zinc/61/85/76/1225618576.db2.gz ZGQCCEXIFJSUDA-ARFHVFGLSA-N 2 2 364.446 0.263 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001276829114 1225618578 /nfs/dbraw/zinc/61/85/78/1225618578.db2.gz ZGQCCEXIFJSUDA-ARFHVFGLSA-N 2 2 364.446 0.263 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488903 1225628525 /nfs/dbraw/zinc/62/85/25/1225628525.db2.gz HBXQWOGVMNFTQE-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488903 1225628528 /nfs/dbraw/zinc/62/85/28/1225628528.db2.gz HBXQWOGVMNFTQE-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222488903 1225628531 /nfs/dbraw/zinc/62/85/31/1225628531.db2.gz HBXQWOGVMNFTQE-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222488903 1225628534 /nfs/dbraw/zinc/62/85/34/1225628534.db2.gz HBXQWOGVMNFTQE-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001000470295 1216066784 /nfs/dbraw/zinc/06/67/84/1216066784.db2.gz WMERBQPMNHUVBK-IRWJRLHMSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001000470295 1216066786 /nfs/dbraw/zinc/06/67/86/1216066786.db2.gz WMERBQPMNHUVBK-IRWJRLHMSA-N 2 2 359.474 0.993 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)C1 ZINC001000477269 1216068524 /nfs/dbraw/zinc/06/85/24/1216068524.db2.gz PWUGZWSNSNKKFS-FSDCSDTHSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)C1 ZINC001000477269 1216068527 /nfs/dbraw/zinc/06/85/27/1216068527.db2.gz PWUGZWSNSNKKFS-FSDCSDTHSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001412891 1216192276 /nfs/dbraw/zinc/19/22/76/1216192276.db2.gz GAJUNLVXHCQQGQ-GDBMZVCRSA-N 2 2 359.474 0.467 20 0 FCADLP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276844340 1225658195 /nfs/dbraw/zinc/65/81/95/1225658195.db2.gz DEENBJDJDWYQMA-FZKQIMNGSA-N 2 2 362.430 0.713 20 0 FCADLP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276844340 1225658197 /nfs/dbraw/zinc/65/81/97/1225658197.db2.gz DEENBJDJDWYQMA-FZKQIMNGSA-N 2 2 362.430 0.713 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001050327924 1216307303 /nfs/dbraw/zinc/30/73/03/1216307303.db2.gz BSENLDSVNSWHPN-YCPHGPKFSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001050327924 1216307309 /nfs/dbraw/zinc/30/73/09/1216307309.db2.gz BSENLDSVNSWHPN-YCPHGPKFSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050327924 1216307315 /nfs/dbraw/zinc/30/73/15/1216307315.db2.gz BSENLDSVNSWHPN-YCPHGPKFSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050327924 1216307322 /nfs/dbraw/zinc/30/73/22/1216307322.db2.gz BSENLDSVNSWHPN-YCPHGPKFSA-N 2 2 358.490 0.500 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050554292 1216335344 /nfs/dbraw/zinc/33/53/44/1216335344.db2.gz RDDNVKBPSLDIOD-HUUCEWRRSA-N 2 2 355.446 0.729 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050554292 1216335349 /nfs/dbraw/zinc/33/53/49/1216335349.db2.gz RDDNVKBPSLDIOD-HUUCEWRRSA-N 2 2 355.446 0.729 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959328 1225669762 /nfs/dbraw/zinc/66/97/62/1225669762.db2.gz WVTCFIACTCMLSQ-WCXIOVBPSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959328 1225669767 /nfs/dbraw/zinc/66/97/67/1225669767.db2.gz WVTCFIACTCMLSQ-WCXIOVBPSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959328 1225669771 /nfs/dbraw/zinc/66/97/71/1225669771.db2.gz WVTCFIACTCMLSQ-WCXIOVBPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC001052393513 1216546372 /nfs/dbraw/zinc/54/63/72/1216546372.db2.gz MXTSZPOPRVNQKS-IJEWVQPXSA-N 2 2 361.494 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC001052393513 1216546379 /nfs/dbraw/zinc/54/63/79/1216546379.db2.gz MXTSZPOPRVNQKS-IJEWVQPXSA-N 2 2 361.494 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3nnnn3C3CC3)CC2)CC[NH+]1C ZINC001052393513 1216546384 /nfs/dbraw/zinc/54/63/84/1216546384.db2.gz MXTSZPOPRVNQKS-IJEWVQPXSA-N 2 2 361.494 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3nnnn3C3CC3)CC2)CC[NH+]1C ZINC001052393513 1216546391 /nfs/dbraw/zinc/54/63/91/1216546391.db2.gz MXTSZPOPRVNQKS-IJEWVQPXSA-N 2 2 361.494 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC001052393512 1216546872 /nfs/dbraw/zinc/54/68/72/1216546872.db2.gz MXTSZPOPRVNQKS-IIAWOOMASA-N 2 2 361.494 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC001052393512 1216546879 /nfs/dbraw/zinc/54/68/79/1216546879.db2.gz MXTSZPOPRVNQKS-IIAWOOMASA-N 2 2 361.494 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3nnnn3C3CC3)CC2)CC[NH+]1C ZINC001052393512 1216546884 /nfs/dbraw/zinc/54/68/84/1216546884.db2.gz MXTSZPOPRVNQKS-IIAWOOMASA-N 2 2 361.494 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3nnnn3C3CC3)CC2)CC[NH+]1C ZINC001052393512 1216546890 /nfs/dbraw/zinc/54/68/90/1216546890.db2.gz MXTSZPOPRVNQKS-IIAWOOMASA-N 2 2 361.494 0.819 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)on1 ZINC001052487713 1216560734 /nfs/dbraw/zinc/56/07/34/1216560734.db2.gz BZYZKLKWJCCVSK-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)on1 ZINC001052487713 1216560741 /nfs/dbraw/zinc/56/07/41/1216560741.db2.gz BZYZKLKWJCCVSK-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001052487713 1216560748 /nfs/dbraw/zinc/56/07/48/1216560748.db2.gz BZYZKLKWJCCVSK-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001052487713 1216560757 /nfs/dbraw/zinc/56/07/57/1216560757.db2.gz BZYZKLKWJCCVSK-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(-n4cncn4)n3)C2)CC1 ZINC000827414469 1216596779 /nfs/dbraw/zinc/59/67/79/1216596779.db2.gz VSXPPSLUUDIEAO-CQSZACIVSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(-n4cncn4)n3)C2)CC1 ZINC000827414469 1216596782 /nfs/dbraw/zinc/59/67/82/1216596782.db2.gz VSXPPSLUUDIEAO-CQSZACIVSA-N 2 2 355.446 0.561 20 0 FCADLP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH+](C)C ZINC001057883852 1216599978 /nfs/dbraw/zinc/59/99/78/1216599978.db2.gz ZAKXBKFYQKMTHV-FMKPAKJESA-N 2 2 365.478 0.037 20 0 FCADLP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH+](C)C ZINC001057883852 1216599986 /nfs/dbraw/zinc/59/99/86/1216599986.db2.gz ZAKXBKFYQKMTHV-FMKPAKJESA-N 2 2 365.478 0.037 20 0 FCADLP Cn1c(=O)cccc1C[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276868764 1225686686 /nfs/dbraw/zinc/68/66/86/1225686686.db2.gz RWXQXURBSHDODM-IBGZPJMESA-N 2 2 355.442 0.849 20 0 FCADLP Cn1c(=O)cccc1C[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001276868764 1225686691 /nfs/dbraw/zinc/68/66/91/1225686691.db2.gz RWXQXURBSHDODM-IBGZPJMESA-N 2 2 355.442 0.849 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945759 1216859414 /nfs/dbraw/zinc/85/94/14/1216859414.db2.gz VEXARUQZAUJGKG-KFWWJZLASA-N 2 2 359.434 0.040 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945759 1216859417 /nfs/dbraw/zinc/85/94/17/1216859417.db2.gz VEXARUQZAUJGKG-KFWWJZLASA-N 2 2 359.434 0.040 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963166 1216870461 /nfs/dbraw/zinc/87/04/61/1216870461.db2.gz BDVSUNIZJUHIAQ-OIISXLGYSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069963166 1216870463 /nfs/dbraw/zinc/87/04/63/1216870463.db2.gz BDVSUNIZJUHIAQ-OIISXLGYSA-N 2 2 357.462 0.735 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](n2ccnn2)C1 ZINC001069966051 1216872673 /nfs/dbraw/zinc/87/26/73/1216872673.db2.gz TZXMDAIUQYMFPM-CVEARBPZSA-N 2 2 361.450 0.783 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](n2ccnn2)C1 ZINC001069966051 1216872677 /nfs/dbraw/zinc/87/26/77/1216872677.db2.gz TZXMDAIUQYMFPM-CVEARBPZSA-N 2 2 361.450 0.783 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001070023101 1216901671 /nfs/dbraw/zinc/90/16/71/1216901671.db2.gz BGYRCBNKRXKUJI-BMFZPTHFSA-N 2 2 355.446 0.873 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001070023101 1216901680 /nfs/dbraw/zinc/90/16/80/1216901680.db2.gz BGYRCBNKRXKUJI-BMFZPTHFSA-N 2 2 355.446 0.873 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)[C@H]2C1 ZINC001223388179 1225702470 /nfs/dbraw/zinc/70/24/70/1225702470.db2.gz ZYZHZAJWGOZWTN-ZBFHGGJFSA-N 2 2 361.494 0.773 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)[C@H]2C1 ZINC001223388179 1225702471 /nfs/dbraw/zinc/70/24/71/1225702471.db2.gz ZYZHZAJWGOZWTN-ZBFHGGJFSA-N 2 2 361.494 0.773 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223521700 1225712310 /nfs/dbraw/zinc/71/23/10/1225712310.db2.gz HAZUPVIOPCFJBA-KONPQCLYSA-N 2 2 373.501 0.925 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223521700 1225712314 /nfs/dbraw/zinc/71/23/14/1225712314.db2.gz HAZUPVIOPCFJBA-KONPQCLYSA-N 2 2 373.501 0.925 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@@H+]1C ZINC001041301351 1217273804 /nfs/dbraw/zinc/27/38/04/1217273804.db2.gz LUUGIRDZVBUFOP-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@H+]1C ZINC001041301351 1217273808 /nfs/dbraw/zinc/27/38/08/1217273808.db2.gz LUUGIRDZVBUFOP-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001041301351 1217273812 /nfs/dbraw/zinc/27/38/12/1217273812.db2.gz LUUGIRDZVBUFOP-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001041301351 1217273815 /nfs/dbraw/zinc/27/38/15/1217273815.db2.gz LUUGIRDZVBUFOP-FCEWJHQRSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@H]1O)C2 ZINC001041340000 1217286489 /nfs/dbraw/zinc/28/64/89/1217286489.db2.gz MMGBCZWLXDHKFK-USXIJHARSA-N 2 2 370.457 0.527 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276917950 1225733889 /nfs/dbraw/zinc/73/38/89/1225733889.db2.gz JUXVFCJNZFJOMA-GOSISDBHSA-N 2 2 363.462 0.055 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276917950 1225733895 /nfs/dbraw/zinc/73/38/95/1225733895.db2.gz JUXVFCJNZFJOMA-GOSISDBHSA-N 2 2 363.462 0.055 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223912644 1225744738 /nfs/dbraw/zinc/74/47/38/1225744738.db2.gz XDRUNTOKCGASBO-PBHICJAKSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001223912644 1225744743 /nfs/dbraw/zinc/74/47/43/1225744743.db2.gz XDRUNTOKCGASBO-PBHICJAKSA-N 2 2 359.474 0.412 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)nc(C)[nH+]1 ZINC001042834938 1217477775 /nfs/dbraw/zinc/47/77/75/1217477775.db2.gz ZNLCCGNRWXKOTE-HZPDHXFCSA-N 2 2 358.446 0.872 20 0 FCADLP CO[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001042835761 1217478308 /nfs/dbraw/zinc/47/83/08/1217478308.db2.gz LFUMGSIGQSHPSN-BZUAXINKSA-N 2 2 359.474 0.934 20 0 FCADLP CO[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001042835761 1217478316 /nfs/dbraw/zinc/47/83/16/1217478316.db2.gz LFUMGSIGQSHPSN-BZUAXINKSA-N 2 2 359.474 0.934 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC(C)C)[C@H]2C1 ZINC001224000316 1225751435 /nfs/dbraw/zinc/75/14/35/1225751435.db2.gz SYOKFSWSQJUTBA-WBVHZDCISA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC(C)C)[C@H]2C1 ZINC001224000316 1225751439 /nfs/dbraw/zinc/75/14/39/1225751439.db2.gz SYOKFSWSQJUTBA-WBVHZDCISA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224000377 1225751819 /nfs/dbraw/zinc/75/18/19/1225751819.db2.gz VZPPQVDWGXCFID-PBHICJAKSA-N 2 2 359.474 0.710 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001224000377 1225751821 /nfs/dbraw/zinc/75/18/21/1225751821.db2.gz VZPPQVDWGXCFID-PBHICJAKSA-N 2 2 359.474 0.710 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043357983 1217641165 /nfs/dbraw/zinc/64/11/65/1217641165.db2.gz APWQTCNKOKMXRH-KCPJHIHWSA-N 2 2 357.462 0.962 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cc(C)[nH+]1 ZINC001043737948 1217724950 /nfs/dbraw/zinc/72/49/50/1217724950.db2.gz WPXUYLKXSVASIE-JKSUJKDBSA-N 2 2 371.485 0.859 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043991801 1217787587 /nfs/dbraw/zinc/78/75/87/1217787587.db2.gz FIYDZBBTTPGUGZ-IKGGRYGDSA-N 2 2 361.490 0.888 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043991801 1217787590 /nfs/dbraw/zinc/78/75/90/1217787590.db2.gz FIYDZBBTTPGUGZ-IKGGRYGDSA-N 2 2 361.490 0.888 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044207863 1217818538 /nfs/dbraw/zinc/81/85/38/1217818538.db2.gz YRBXNHQGAKNMKX-BBWFWOEESA-N 2 2 359.474 0.409 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044382893 1217842378 /nfs/dbraw/zinc/84/23/78/1217842378.db2.gz YXXAJDSFLYCVIM-CABCVRRESA-N 2 2 361.490 0.888 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044539039 1217853830 /nfs/dbraw/zinc/85/38/30/1217853830.db2.gz WDHYLEYIJLZMJI-BMFZPTHFSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044539039 1217853831 /nfs/dbraw/zinc/85/38/31/1217853831.db2.gz WDHYLEYIJLZMJI-BMFZPTHFSA-N 2 2 359.474 0.812 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001044941845 1217890348 /nfs/dbraw/zinc/89/03/48/1217890348.db2.gz QNQIOFGJXNNWHZ-IMJJTQAJSA-N 2 2 369.473 0.885 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001044941845 1217890349 /nfs/dbraw/zinc/89/03/49/1217890349.db2.gz QNQIOFGJXNNWHZ-IMJJTQAJSA-N 2 2 369.473 0.885 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC001045440805 1217928797 /nfs/dbraw/zinc/92/87/97/1217928797.db2.gz PQEJNOWYGJUGMH-SOUVJXGZSA-N 2 2 363.510 0.972 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+]([C@@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC001045440805 1217928802 /nfs/dbraw/zinc/92/88/02/1217928802.db2.gz PQEJNOWYGJUGMH-SOUVJXGZSA-N 2 2 363.510 0.972 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2cncn2C)O1 ZINC001045802840 1217961308 /nfs/dbraw/zinc/96/13/08/1217961308.db2.gz SSECSOGDFDBDQX-XLMAVXFVSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2cncn2C)O1 ZINC001045802840 1217961313 /nfs/dbraw/zinc/96/13/13/1217961313.db2.gz SSECSOGDFDBDQX-XLMAVXFVSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncn2C)O1 ZINC001045802840 1217961316 /nfs/dbraw/zinc/96/13/16/1217961316.db2.gz SSECSOGDFDBDQX-XLMAVXFVSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncn2C)O1 ZINC001045802840 1217961320 /nfs/dbraw/zinc/96/13/20/1217961320.db2.gz SSECSOGDFDBDQX-XLMAVXFVSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N2CCC2)O1 ZINC001045802887 1217961760 /nfs/dbraw/zinc/96/17/60/1217961760.db2.gz WVZLRKYYNFIHMR-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N2CCC2)O1 ZINC001045802887 1217961766 /nfs/dbraw/zinc/96/17/66/1217961766.db2.gz WVZLRKYYNFIHMR-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)O1 ZINC001045802887 1217961772 /nfs/dbraw/zinc/96/17/72/1217961772.db2.gz WVZLRKYYNFIHMR-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)O1 ZINC001045802887 1217961774 /nfs/dbraw/zinc/96/17/74/1217961774.db2.gz WVZLRKYYNFIHMR-WCXIOVBPSA-N 2 2 364.490 0.003 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900647026 1218017464 /nfs/dbraw/zinc/01/74/64/1218017464.db2.gz LQXPHIXAIWDIRD-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900647026 1218017471 /nfs/dbraw/zinc/01/74/71/1218017471.db2.gz LQXPHIXAIWDIRD-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1NC(N)=O ZINC000900673859 1218022094 /nfs/dbraw/zinc/02/20/94/1218022094.db2.gz RKRVYHJXNYHGEU-CQSZACIVSA-N 2 2 362.478 0.625 20 0 FCADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1NC(N)=O ZINC000900673859 1218022098 /nfs/dbraw/zinc/02/20/98/1218022098.db2.gz RKRVYHJXNYHGEU-CQSZACIVSA-N 2 2 362.478 0.625 20 0 FCADLP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900670747 1218022720 /nfs/dbraw/zinc/02/27/20/1218022720.db2.gz VWJINBDTSBBWFJ-KRWDZBQOSA-N 3 2 362.522 0.685 20 0 FCADLP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900670747 1218022724 /nfs/dbraw/zinc/02/27/24/1218022724.db2.gz VWJINBDTSBBWFJ-KRWDZBQOSA-N 3 2 362.522 0.685 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420415 1218035310 /nfs/dbraw/zinc/03/53/10/1218035310.db2.gz DSNUGHJJGGCLCI-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420415 1218035316 /nfs/dbraw/zinc/03/53/16/1218035316.db2.gz DSNUGHJJGGCLCI-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420415 1218035318 /nfs/dbraw/zinc/03/53/18/1218035318.db2.gz DSNUGHJJGGCLCI-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420415 1218035325 /nfs/dbraw/zinc/03/53/25/1218035325.db2.gz DSNUGHJJGGCLCI-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1C[N@H+](C)CCN1C ZINC000900800798 1218039812 /nfs/dbraw/zinc/03/98/12/1218039812.db2.gz AYNHFXOQWKFNKO-SWLSCSKDSA-N 2 2 359.478 0.398 20 0 FCADLP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1C[N@@H+](C)CCN1C ZINC000900800798 1218039815 /nfs/dbraw/zinc/03/98/15/1218039815.db2.gz AYNHFXOQWKFNKO-SWLSCSKDSA-N 2 2 359.478 0.398 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900808767 1218040556 /nfs/dbraw/zinc/04/05/56/1218040556.db2.gz WUZKFIJANJWLGX-QZTJIDSGSA-N 2 2 374.533 0.344 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000900808767 1218040561 /nfs/dbraw/zinc/04/05/61/1218040561.db2.gz WUZKFIJANJWLGX-QZTJIDSGSA-N 2 2 374.533 0.344 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000900843884 1218045497 /nfs/dbraw/zinc/04/54/97/1218045497.db2.gz MKYBIKNHGJIYOE-IBGZPJMESA-N 2 2 366.550 0.973 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096140021 1218090860 /nfs/dbraw/zinc/09/08/60/1218090860.db2.gz MRTGTIHLGVGTFV-NJAFHUGGSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096140021 1218090865 /nfs/dbraw/zinc/09/08/65/1218090865.db2.gz MRTGTIHLGVGTFV-NJAFHUGGSA-N 2 2 371.489 0.714 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001047428155 1218142066 /nfs/dbraw/zinc/14/20/66/1218142066.db2.gz AYWPYRLBBLDIKA-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001047428155 1218142069 /nfs/dbraw/zinc/14/20/69/1218142069.db2.gz AYWPYRLBBLDIKA-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001047428155 1218142071 /nfs/dbraw/zinc/14/20/71/1218142071.db2.gz AYWPYRLBBLDIKA-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001047428155 1218142075 /nfs/dbraw/zinc/14/20/75/1218142075.db2.gz AYWPYRLBBLDIKA-XFKAJCMBSA-N 2 2 365.449 0.548 20 0 FCADLP CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001047467794 1218148735 /nfs/dbraw/zinc/14/87/35/1218148735.db2.gz LWXAHDQYPBANRT-OWSLCNJRSA-N 2 2 369.506 0.170 20 0 FCADLP CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001047467794 1218148736 /nfs/dbraw/zinc/14/87/36/1218148736.db2.gz LWXAHDQYPBANRT-OWSLCNJRSA-N 2 2 369.506 0.170 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001096233751 1218177257 /nfs/dbraw/zinc/17/72/57/1218177257.db2.gz BXZRFGNKMANXHU-FXUDXRNXSA-N 2 2 362.474 0.245 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001096233751 1218177260 /nfs/dbraw/zinc/17/72/60/1218177260.db2.gz BXZRFGNKMANXHU-FXUDXRNXSA-N 2 2 362.474 0.245 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001096364035 1218267247 /nfs/dbraw/zinc/26/72/47/1218267247.db2.gz HQMCMJOWDDCHBX-QCPWZWHMSA-N 2 2 357.458 0.713 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001096364035 1218267249 /nfs/dbraw/zinc/26/72/49/1218267249.db2.gz HQMCMJOWDDCHBX-QCPWZWHMSA-N 2 2 357.458 0.713 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001277041071 1225810251 /nfs/dbraw/zinc/81/02/51/1225810251.db2.gz DGPCUWCEPJIFOQ-IBGZPJMESA-N 3 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001277041071 1225810253 /nfs/dbraw/zinc/81/02/53/1225810253.db2.gz DGPCUWCEPJIFOQ-IBGZPJMESA-N 3 2 357.458 0.699 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cn(C)nn1 ZINC000902865351 1218319792 /nfs/dbraw/zinc/31/97/92/1218319792.db2.gz JYKKAJHNIZWYMK-LSDHHAIUSA-N 2 2 372.477 0.761 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001096548570 1218476797 /nfs/dbraw/zinc/47/67/97/1218476797.db2.gz IYKJATIUHGEILR-QZWWFDLISA-N 2 2 359.474 0.922 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001096548570 1218476807 /nfs/dbraw/zinc/47/68/07/1218476807.db2.gz IYKJATIUHGEILR-QZWWFDLISA-N 2 2 359.474 0.922 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001097112707 1218691691 /nfs/dbraw/zinc/69/16/91/1218691691.db2.gz AIWIUPXMYQZQPN-NCOADZHNSA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001097112707 1218691695 /nfs/dbraw/zinc/69/16/95/1218691695.db2.gz AIWIUPXMYQZQPN-NCOADZHNSA-N 2 2 371.485 0.762 20 0 FCADLP Cc1ncc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)o1 ZINC001277115848 1225838992 /nfs/dbraw/zinc/83/89/92/1225838992.db2.gz JGVQFMCGJBTNRT-SFHVURJKSA-N 2 2 359.430 0.931 20 0 FCADLP Cc1ncc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)o1 ZINC001277115848 1225838995 /nfs/dbraw/zinc/83/89/95/1225838995.db2.gz JGVQFMCGJBTNRT-SFHVURJKSA-N 2 2 359.430 0.931 20 0 FCADLP C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000748349686 1218701212 /nfs/dbraw/zinc/70/12/12/1218701212.db2.gz PYXBVEVAQRVDJA-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)n2)CC[NH+]1C ZINC000748349686 1218701222 /nfs/dbraw/zinc/70/12/22/1218701222.db2.gz PYXBVEVAQRVDJA-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001226348050 1225840941 /nfs/dbraw/zinc/84/09/41/1225840941.db2.gz IIZAGWJTZYQPNU-IAGOWNOFSA-N 2 2 364.490 0.788 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001097220278 1218725988 /nfs/dbraw/zinc/72/59/88/1218725988.db2.gz WENCLNCFZRMDLS-WCVJEAGWSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001097220278 1218725995 /nfs/dbraw/zinc/72/59/95/1218725995.db2.gz WENCLNCFZRMDLS-WCVJEAGWSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1ccn2c[nH+]cc2c1 ZINC001097444995 1218807265 /nfs/dbraw/zinc/80/72/65/1218807265.db2.gz RUKOUTMAMKKILS-OIISXLGYSA-N 2 2 351.414 0.961 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)c1ccn2c[nH+]cc2c1 ZINC001097444995 1218807266 /nfs/dbraw/zinc/80/72/66/1218807266.db2.gz RUKOUTMAMKKILS-OIISXLGYSA-N 2 2 351.414 0.961 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001097430034 1218807843 /nfs/dbraw/zinc/80/78/43/1218807843.db2.gz FEULTMRGDBKOSK-APIJFGDWSA-N 2 2 360.458 0.142 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001097430034 1218807846 /nfs/dbraw/zinc/80/78/46/1218807846.db2.gz FEULTMRGDBKOSK-APIJFGDWSA-N 2 2 360.458 0.142 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2)NC1CC1 ZINC001097579880 1218824372 /nfs/dbraw/zinc/82/43/72/1218824372.db2.gz JHIOIIRXTVBVQX-VXNCWWDNSA-N 2 2 360.502 0.861 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2)NC1CC1 ZINC001097579880 1218824373 /nfs/dbraw/zinc/82/43/73/1218824373.db2.gz JHIOIIRXTVBVQX-VXNCWWDNSA-N 2 2 360.502 0.861 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)CC2 ZINC001097737603 1218843026 /nfs/dbraw/zinc/84/30/26/1218843026.db2.gz QLCMNOVUCSGWRL-IDCNUPLLSA-N 2 2 369.473 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)CC2 ZINC001097737603 1218843030 /nfs/dbraw/zinc/84/30/30/1218843030.db2.gz QLCMNOVUCSGWRL-IDCNUPLLSA-N 2 2 369.473 0.767 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696417 1225852517 /nfs/dbraw/zinc/85/25/17/1225852517.db2.gz GNQZVEHGHXTYGI-GVDBMIGSSA-N 2 2 368.478 0.383 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696417 1225852519 /nfs/dbraw/zinc/85/25/19/1225852519.db2.gz GNQZVEHGHXTYGI-GVDBMIGSSA-N 2 2 368.478 0.383 20 0 FCADLP COCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043727 1218898140 /nfs/dbraw/zinc/89/81/40/1218898140.db2.gz IAFZYKAKIAUSOL-ATZDWAIDSA-N 2 2 361.486 0.895 20 0 FCADLP COCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043727 1218898142 /nfs/dbraw/zinc/89/81/42/1218898142.db2.gz IAFZYKAKIAUSOL-ATZDWAIDSA-N 2 2 361.486 0.895 20 0 FCADLP COCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001054043727 1218898143 /nfs/dbraw/zinc/89/81/43/1218898143.db2.gz IAFZYKAKIAUSOL-ATZDWAIDSA-N 2 2 361.486 0.895 20 0 FCADLP COCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001054043727 1218898144 /nfs/dbraw/zinc/89/81/44/1218898144.db2.gz IAFZYKAKIAUSOL-ATZDWAIDSA-N 2 2 361.486 0.895 20 0 FCADLP CN(C)c1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001226799577 1225854648 /nfs/dbraw/zinc/85/46/48/1225854648.db2.gz CPBNEYUKBXMJHW-FMKPAKJESA-N 2 2 364.494 0.993 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227176098 1225865490 /nfs/dbraw/zinc/86/54/90/1225865490.db2.gz TVNRUWKGYSXOHL-BZUAXINKSA-N 2 2 361.490 0.987 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055583047 1219087224 /nfs/dbraw/zinc/08/72/24/1219087224.db2.gz VOWMTMQAFOOIBS-DLBZAZTESA-N 2 2 359.474 0.626 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804054309 1219109539 /nfs/dbraw/zinc/10/95/39/1219109539.db2.gz REDDYQDUPHBKEW-LZLYRXPVSA-N 2 2 372.469 0.269 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804054309 1219109540 /nfs/dbraw/zinc/10/95/40/1219109540.db2.gz REDDYQDUPHBKEW-LZLYRXPVSA-N 2 2 372.469 0.269 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804054309 1219109545 /nfs/dbraw/zinc/10/95/45/1219109545.db2.gz REDDYQDUPHBKEW-LZLYRXPVSA-N 2 2 372.469 0.269 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070088877 1219159134 /nfs/dbraw/zinc/15/91/34/1219159134.db2.gz JZKVPXWOBQUHNG-IMJJTQAJSA-N 2 2 361.450 0.319 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1)OC ZINC001070088877 1219159139 /nfs/dbraw/zinc/15/91/39/1219159139.db2.gz JZKVPXWOBQUHNG-IMJJTQAJSA-N 2 2 361.450 0.319 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097478 1219169154 /nfs/dbraw/zinc/16/91/54/1219169154.db2.gz VBUQTYVLVWYAFU-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097478 1219169156 /nfs/dbraw/zinc/16/91/56/1219169156.db2.gz VBUQTYVLVWYAFU-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097478 1219169160 /nfs/dbraw/zinc/16/91/60/1219169160.db2.gz VBUQTYVLVWYAFU-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)o1 ZINC001070097478 1219169164 /nfs/dbraw/zinc/16/91/64/1219169164.db2.gz VBUQTYVLVWYAFU-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097263 1219169337 /nfs/dbraw/zinc/16/93/37/1219169337.db2.gz KGAADNNNMWYDNF-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097263 1219169342 /nfs/dbraw/zinc/16/93/42/1219169342.db2.gz KGAADNNNMWYDNF-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097263 1219169346 /nfs/dbraw/zinc/16/93/46/1219169346.db2.gz KGAADNNNMWYDNF-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097263 1219169349 /nfs/dbraw/zinc/16/93/49/1219169349.db2.gz KGAADNNNMWYDNF-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098687 1219170471 /nfs/dbraw/zinc/17/04/71/1219170471.db2.gz MRFFSKFOUQHVBZ-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098687 1219170477 /nfs/dbraw/zinc/17/04/77/1219170477.db2.gz MRFFSKFOUQHVBZ-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001070198281 1219288676 /nfs/dbraw/zinc/28/86/76/1219288676.db2.gz XTFQZLMTANXWFL-CVEARBPZSA-N 2 2 357.462 0.804 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1ccnn1 ZINC001070198298 1219288722 /nfs/dbraw/zinc/28/87/22/1219288722.db2.gz YIAYARBSWAAYCF-CVEARBPZSA-N 2 2 357.462 0.805 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001227655007 1225881067 /nfs/dbraw/zinc/88/10/67/1225881067.db2.gz BBUZZTKLMQLMAE-TVFCKZIOSA-N 2 2 369.506 0.266 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001227680826 1225881506 /nfs/dbraw/zinc/88/15/06/1225881506.db2.gz NWBZJGKVUXBZCO-HZPDHXFCSA-N 2 2 361.490 0.896 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220270 1219302550 /nfs/dbraw/zinc/30/25/50/1219302550.db2.gz FDBPWGBWUIGJKH-OAGGEKHMSA-N 2 2 355.446 0.489 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001070235093 1219311358 /nfs/dbraw/zinc/31/13/58/1219311358.db2.gz ZARQOXKXQOVRKF-CABCVRRESA-N 2 2 370.417 0.321 20 0 FCADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284690 1219348980 /nfs/dbraw/zinc/34/89/80/1219348980.db2.gz PZWKSMQISWCUSW-SJORKVTESA-N 2 2 366.429 0.489 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334509 1219383691 /nfs/dbraw/zinc/38/36/91/1219383691.db2.gz CLHIMVJHIUESRG-SQNIBIBYSA-N 2 2 371.489 0.974 20 0 FCADLP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070336964 1219385309 /nfs/dbraw/zinc/38/53/09/1219385309.db2.gz DZZYXBDDZCXWBJ-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953181 1225891523 /nfs/dbraw/zinc/89/15/23/1225891523.db2.gz CLIVAAQGOHCYAO-HLLBOEOZSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953181 1225891524 /nfs/dbraw/zinc/89/15/24/1225891524.db2.gz CLIVAAQGOHCYAO-HLLBOEOZSA-N 2 2 368.522 0.591 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC)C1 ZINC001070516749 1219449427 /nfs/dbraw/zinc/44/94/27/1219449427.db2.gz LVYLVCYOJIMNNJ-JQHSSLGASA-N 2 2 363.506 0.825 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC)C1 ZINC001070516749 1219449429 /nfs/dbraw/zinc/44/94/29/1219449429.db2.gz LVYLVCYOJIMNNJ-JQHSSLGASA-N 2 2 363.506 0.825 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070570394 1219473970 /nfs/dbraw/zinc/47/39/70/1219473970.db2.gz NIEASYASMBXMBQ-DOTOQJQBSA-N 2 2 368.445 0.135 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070570554 1219474611 /nfs/dbraw/zinc/47/46/11/1219474611.db2.gz WHPATIWCXNMRQR-DOTOQJQBSA-N 2 2 368.445 0.135 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC001070650253 1219508111 /nfs/dbraw/zinc/50/81/11/1219508111.db2.gz QGAIOVGYKJTYIA-DTZQCDIJSA-N 2 2 373.461 0.228 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC001070650253 1219508114 /nfs/dbraw/zinc/50/81/14/1219508114.db2.gz QGAIOVGYKJTYIA-DTZQCDIJSA-N 2 2 373.461 0.228 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001070659582 1219512073 /nfs/dbraw/zinc/51/20/73/1219512073.db2.gz SUVBGPCANFHWGU-RBSFLKMASA-N 2 2 361.450 0.228 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001070694987 1219529048 /nfs/dbraw/zinc/52/90/48/1219529048.db2.gz KMMSEQDQCYVMRV-FVQBIDKESA-N 2 2 358.446 0.306 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001070920761 1219576102 /nfs/dbraw/zinc/57/61/02/1219576102.db2.gz CRLIDLXRFWROCP-KFWWJZLASA-N 2 2 361.446 0.714 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001070920761 1219576104 /nfs/dbraw/zinc/57/61/04/1219576104.db2.gz CRLIDLXRFWROCP-KFWWJZLASA-N 2 2 361.446 0.714 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001071066286 1219598486 /nfs/dbraw/zinc/59/84/86/1219598486.db2.gz JUXAESLAJGLEQG-QAPCUYQASA-N 2 2 371.441 0.648 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071066897 1219598821 /nfs/dbraw/zinc/59/88/21/1219598821.db2.gz YPFDJWMJTLYSRM-JZXOWHBKSA-N 2 2 362.474 0.424 20 0 FCADLP CCn1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072849557 1219625124 /nfs/dbraw/zinc/62/51/24/1219625124.db2.gz GBUQRTMOCYKJOY-NVXWUHKLSA-N 2 2 361.490 0.656 20 0 FCADLP CCn1ccc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072849557 1219625127 /nfs/dbraw/zinc/62/51/27/1219625127.db2.gz GBUQRTMOCYKJOY-NVXWUHKLSA-N 2 2 361.490 0.656 20 0 FCADLP CCn1ccc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072849557 1219625133 /nfs/dbraw/zinc/62/51/33/1219625133.db2.gz GBUQRTMOCYKJOY-NVXWUHKLSA-N 2 2 361.490 0.656 20 0 FCADLP CCn1ccc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072849557 1219625135 /nfs/dbraw/zinc/62/51/35/1219625135.db2.gz GBUQRTMOCYKJOY-NVXWUHKLSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1ncc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)cn1 ZINC001072849575 1219625293 /nfs/dbraw/zinc/62/52/93/1219625293.db2.gz GYYKHVFNNRKKDY-RHSMWYFYSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ncc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)cn1 ZINC001072849575 1219625295 /nfs/dbraw/zinc/62/52/95/1219625295.db2.gz GYYKHVFNNRKKDY-RHSMWYFYSA-N 2 2 359.474 0.538 20 0 FCADLP 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C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2ccnn2C)O1 ZINC001074030148 1219683397 /nfs/dbraw/zinc/68/33/97/1219683397.db2.gz KFFSKNPWXRXLRQ-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2ccnn2C)O1 ZINC001074030148 1219683398 /nfs/dbraw/zinc/68/33/98/1219683398.db2.gz KFFSKNPWXRXLRQ-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2ccnn2C)O1 ZINC001074030148 1219683400 /nfs/dbraw/zinc/68/34/00/1219683400.db2.gz KFFSKNPWXRXLRQ-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)n1C ZINC001074709861 1219717989 /nfs/dbraw/zinc/71/79/89/1219717989.db2.gz UBHIQEOKYUNFHL-CBBWQLFWSA-N 2 2 364.494 0.176 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)n1C ZINC001074709861 1219717994 /nfs/dbraw/zinc/71/79/94/1219717994.db2.gz UBHIQEOKYUNFHL-CBBWQLFWSA-N 2 2 364.494 0.176 20 0 FCADLP 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O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([N@@H+](CCO)C[C@H]2CCOC2)CC1 ZINC001098398318 1219773306 /nfs/dbraw/zinc/77/33/06/1219773306.db2.gz OLBGTZRNVRWPFL-DJIMGWMZSA-N 2 2 362.474 0.835 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001098405778 1219774754 /nfs/dbraw/zinc/77/47/54/1219774754.db2.gz QJSDRPXMGUDOSU-ZACQAIPSSA-N 2 2 357.462 0.822 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001098405778 1219774756 /nfs/dbraw/zinc/77/47/56/1219774756.db2.gz QJSDRPXMGUDOSU-ZACQAIPSSA-N 2 2 357.462 0.822 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848583 1219840334 /nfs/dbraw/zinc/84/03/34/1219840334.db2.gz HSENSOXFQCETNZ-LIRRHRJNSA-N 2 2 359.474 0.479 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848583 1219840335 /nfs/dbraw/zinc/84/03/35/1219840335.db2.gz HSENSOXFQCETNZ-LIRRHRJNSA-N 2 2 359.474 0.479 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001098885362 1219852144 /nfs/dbraw/zinc/85/21/44/1219852144.db2.gz QHGXFKLTAZFWQQ-HRLGVUPISA-N 2 2 372.473 0.509 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001098885362 1219852147 /nfs/dbraw/zinc/85/21/47/1219852147.db2.gz QHGXFKLTAZFWQQ-HRLGVUPISA-N 2 2 372.473 0.509 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001098909913 1219860075 /nfs/dbraw/zinc/86/00/75/1219860075.db2.gz FNEOWCAVQKKQSN-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001098909913 1219860078 /nfs/dbraw/zinc/86/00/78/1219860078.db2.gz FNEOWCAVQKKQSN-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098402 1219911475 /nfs/dbraw/zinc/91/14/75/1219911475.db2.gz ZOBJRLSOQSYQIZ-WTANOLMUSA-N 2 2 368.441 0.725 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098402 1219911479 /nfs/dbraw/zinc/91/14/79/1219911479.db2.gz ZOBJRLSOQSYQIZ-WTANOLMUSA-N 2 2 368.441 0.725 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001099183584 1219943443 /nfs/dbraw/zinc/94/34/43/1219943443.db2.gz INOITQMLHWDATH-KSSFIOAISA-N 2 2 356.430 0.853 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001099183584 1219943444 /nfs/dbraw/zinc/94/34/44/1219943444.db2.gz INOITQMLHWDATH-KSSFIOAISA-N 2 2 356.430 0.853 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001099184263 1219944908 /nfs/dbraw/zinc/94/49/08/1219944908.db2.gz HZMHEDGSEIUJLO-JZXOWHBKSA-N 2 2 358.446 0.111 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001099184263 1219944912 /nfs/dbraw/zinc/94/49/12/1219944912.db2.gz HZMHEDGSEIUJLO-JZXOWHBKSA-N 2 2 358.446 0.111 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099244887 1219955643 /nfs/dbraw/zinc/95/56/43/1219955643.db2.gz RZAWZULSFDSLQP-VXGBXAGGSA-N 2 2 371.367 0.613 20 0 FCADLP Cn1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)n1 ZINC001099402408 1219982499 /nfs/dbraw/zinc/98/24/99/1219982499.db2.gz BJJYVATZUGTAJI-IEZWGBDMSA-N 2 2 361.490 0.469 20 0 FCADLP Cn1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001099402408 1219982503 /nfs/dbraw/zinc/98/25/03/1219982503.db2.gz BJJYVATZUGTAJI-IEZWGBDMSA-N 2 2 361.490 0.469 20 0 FCADLP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001099505329 1220017723 /nfs/dbraw/zinc/01/77/23/1220017723.db2.gz GJZGEBFCMDHKRL-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)C1=O ZINC001099505243 1220017834 /nfs/dbraw/zinc/01/78/34/1220017834.db2.gz FLKOGUNQUVAGIO-QOKNQOGYSA-N 2 2 359.474 0.791 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000750865615 1220021111 /nfs/dbraw/zinc/02/11/11/1220021111.db2.gz VEXAWDPBOQTGEK-UHFFFAOYSA-N 2 2 374.485 0.413 20 0 FCADLP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]cn2C)C3)nn1 ZINC001099527385 1220023189 /nfs/dbraw/zinc/02/31/89/1220023189.db2.gz XBUGLUXVBWBKQQ-KSSFIOAISA-N 2 2 357.462 0.510 20 0 FCADLP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH+]cn2C)C3)nn1 ZINC001099532773 1220025905 /nfs/dbraw/zinc/02/59/05/1220025905.db2.gz GKJBJKDPUUJBIH-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101257344 1220250600 /nfs/dbraw/zinc/25/06/00/1220250600.db2.gz QCONZVAFNSBLCJ-CPUCHLNUSA-N 2 2 367.473 0.170 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101257344 1220250602 /nfs/dbraw/zinc/25/06/02/1220250602.db2.gz QCONZVAFNSBLCJ-CPUCHLNUSA-N 2 2 367.473 0.170 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001228868515 1225958553 /nfs/dbraw/zinc/95/85/53/1225958553.db2.gz DTWUDJZQHNOLMB-HZPDHXFCSA-N 2 2 366.506 0.394 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351502 1220298178 /nfs/dbraw/zinc/29/81/78/1220298178.db2.gz IEMBVEPNOZSSJM-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351502 1220298181 /nfs/dbraw/zinc/29/81/81/1220298181.db2.gz IEMBVEPNOZSSJM-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375443 1220308571 /nfs/dbraw/zinc/30/85/71/1220308571.db2.gz TTYQBYJLZOEIBD-CLCXKQKWSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375443 1220308575 /nfs/dbraw/zinc/30/85/75/1220308575.db2.gz TTYQBYJLZOEIBD-CLCXKQKWSA-N 2 2 361.490 0.893 20 0 FCADLP 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C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102204988 1220550323 /nfs/dbraw/zinc/55/03/23/1220550323.db2.gz GFPNIAKZLYVYSN-NVXWUHKLSA-N 2 2 361.490 0.826 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1)C1CC1 ZINC001102203992 1220550363 /nfs/dbraw/zinc/55/03/63/1220550363.db2.gz QNHUVTWFHPRGJJ-HLLBOEOZSA-N 2 2 361.490 0.872 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1)C1CC1 ZINC001102203992 1220550372 /nfs/dbraw/zinc/55/03/72/1220550372.db2.gz QNHUVTWFHPRGJJ-HLLBOEOZSA-N 2 2 361.490 0.872 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CCC[C@@H]3C)[C@H](C)C2)n1 ZINC001102366726 1220595347 /nfs/dbraw/zinc/59/53/47/1220595347.db2.gz OJLYTESNRLSBTN-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CCC[C@@H]3C)[C@H](C)C2)n1 ZINC001102366726 1220595352 /nfs/dbraw/zinc/59/53/52/1220595352.db2.gz OJLYTESNRLSBTN-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)[C@H](C)C2)n1 ZINC001102366726 1220595355 /nfs/dbraw/zinc/59/53/55/1220595355.db2.gz OJLYTESNRLSBTN-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@H+]3CCC[C@@H]3C)[C@H](C)C2)n1 ZINC001102366726 1220595360 /nfs/dbraw/zinc/59/53/60/1220595360.db2.gz OJLYTESNRLSBTN-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456355 1220629867 /nfs/dbraw/zinc/62/98/67/1220629867.db2.gz WRRWGAUUYFIRDO-RBSFLKMASA-N 2 2 362.478 0.298 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456355 1220629872 /nfs/dbraw/zinc/62/98/72/1220629872.db2.gz WRRWGAUUYFIRDO-RBSFLKMASA-N 2 2 362.478 0.298 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456355 1220629877 /nfs/dbraw/zinc/62/98/77/1220629877.db2.gz WRRWGAUUYFIRDO-RBSFLKMASA-N 2 2 362.478 0.298 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456355 1220629882 /nfs/dbraw/zinc/62/98/82/1220629882.db2.gz WRRWGAUUYFIRDO-RBSFLKMASA-N 2 2 362.478 0.298 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482608 1220648908 /nfs/dbraw/zinc/64/89/08/1220648908.db2.gz AUGANLDXGGPLLV-RBSFLKMASA-N 2 2 365.478 0.178 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482608 1220648910 /nfs/dbraw/zinc/64/89/10/1220648910.db2.gz AUGANLDXGGPLLV-RBSFLKMASA-N 2 2 365.478 0.178 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)C1CC1 ZINC001102514725 1220673825 /nfs/dbraw/zinc/67/38/25/1220673825.db2.gz KRGLWQRFYUPKPL-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)C1CC1 ZINC001102514725 1220673829 /nfs/dbraw/zinc/67/38/29/1220673829.db2.gz KRGLWQRFYUPKPL-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521247 1220678747 /nfs/dbraw/zinc/67/87/47/1220678747.db2.gz ZPEZMRCXWIUSOW-HUUCEWRRSA-N 2 2 363.510 0.924 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102521247 1220678751 /nfs/dbraw/zinc/67/87/51/1220678751.db2.gz ZPEZMRCXWIUSOW-HUUCEWRRSA-N 2 2 363.510 0.924 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538813 1220687385 /nfs/dbraw/zinc/68/73/85/1220687385.db2.gz WFFZVCPGCQBIDO-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538813 1220687390 /nfs/dbraw/zinc/68/73/90/1220687390.db2.gz WFFZVCPGCQBIDO-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102603298 1220724532 /nfs/dbraw/zinc/72/45/32/1220724532.db2.gz YTLKYUVWLSYEOB-QGPMSJSTSA-N 2 2 361.490 0.457 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102603298 1220724535 /nfs/dbraw/zinc/72/45/35/1220724535.db2.gz YTLKYUVWLSYEOB-QGPMSJSTSA-N 2 2 361.490 0.457 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613727 1220732272 /nfs/dbraw/zinc/73/22/72/1220732272.db2.gz RLDBCIGMOXAOCT-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613727 1220732279 /nfs/dbraw/zinc/73/22/79/1220732279.db2.gz RLDBCIGMOXAOCT-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615475 1220734937 /nfs/dbraw/zinc/73/49/37/1220734937.db2.gz CKOCPKUACUJCEF-BZUAXINKSA-N 2 2 365.478 0.108 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615475 1220734940 /nfs/dbraw/zinc/73/49/40/1220734940.db2.gz CKOCPKUACUJCEF-BZUAXINKSA-N 2 2 365.478 0.108 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)nn1 ZINC001102819636 1220791110 /nfs/dbraw/zinc/79/11/10/1220791110.db2.gz YCSSEBSXGLOJCT-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)nn1 ZINC001102819636 1220791113 /nfs/dbraw/zinc/79/11/13/1220791113.db2.gz YCSSEBSXGLOJCT-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001102819636 1220791115 /nfs/dbraw/zinc/79/11/15/1220791115.db2.gz YCSSEBSXGLOJCT-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001102819636 1220791119 /nfs/dbraw/zinc/79/11/19/1220791119.db2.gz YCSSEBSXGLOJCT-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103106770 1220834870 /nfs/dbraw/zinc/83/48/70/1220834870.db2.gz CWQBKKHYRZRRTQ-KLHDSHLOSA-N 2 2 357.462 0.879 20 0 FCADLP 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C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574277 1220905506 /nfs/dbraw/zinc/90/55/06/1220905506.db2.gz ILQZZCIAKMCFAO-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643193 1220925517 /nfs/dbraw/zinc/92/55/17/1220925517.db2.gz GIAKDHLVEBKVCL-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643193 1220925522 /nfs/dbraw/zinc/92/55/22/1220925522.db2.gz GIAKDHLVEBKVCL-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643846 1220925574 /nfs/dbraw/zinc/92/55/74/1220925574.db2.gz SQTIIONHODJYEG-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643846 1220925578 /nfs/dbraw/zinc/92/55/78/1220925578.db2.gz SQTIIONHODJYEG-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644627 1220926152 /nfs/dbraw/zinc/92/61/52/1220926152.db2.gz ITEROBXVYRDQOR-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644627 1220926156 /nfs/dbraw/zinc/92/61/56/1220926156.db2.gz ITEROBXVYRDQOR-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643458 1220926388 /nfs/dbraw/zinc/92/63/88/1220926388.db2.gz LALGFGLBHZXGEE-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643458 1220926391 /nfs/dbraw/zinc/92/63/91/1220926391.db2.gz LALGFGLBHZXGEE-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP Cc1ncn(C)c1C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277377487 1226003870 /nfs/dbraw/zinc/00/38/70/1226003870.db2.gz ZYPRCITVZOYPAT-GOSISDBHSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1ncn(C)c1C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277377487 1226003879 /nfs/dbraw/zinc/00/38/79/1226003879.db2.gz ZYPRCITVZOYPAT-GOSISDBHSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103677323 1220934666 /nfs/dbraw/zinc/93/46/66/1220934666.db2.gz XARWSLCMAGCUMH-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001103677323 1220934668 /nfs/dbraw/zinc/93/46/68/1220934668.db2.gz XARWSLCMAGCUMH-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001103677380 1220935659 /nfs/dbraw/zinc/93/56/59/1220935659.db2.gz ZSYIQBDAJMIBIZ-UKRRQHHQSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001103677380 1220935661 /nfs/dbraw/zinc/93/56/61/1220935661.db2.gz ZSYIQBDAJMIBIZ-UKRRQHHQSA-N 2 2 361.490 0.956 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688102 1220940364 /nfs/dbraw/zinc/94/03/64/1220940364.db2.gz JUOLPKOJBAJXNI-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688102 1220940369 /nfs/dbraw/zinc/94/03/69/1220940369.db2.gz JUOLPKOJBAJXNI-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760541 1220967118 /nfs/dbraw/zinc/96/71/18/1220967118.db2.gz RQKCRLATSDZOKO-KYJSFNMBSA-N 2 2 361.490 0.505 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760541 1220967134 /nfs/dbraw/zinc/96/71/34/1220967134.db2.gz RQKCRLATSDZOKO-KYJSFNMBSA-N 2 2 361.490 0.505 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001103778940 1220972122 /nfs/dbraw/zinc/97/21/22/1220972122.db2.gz DXPFEJRNODKOOL-ZIAGYGMSSA-N 2 2 362.434 0.687 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001103778940 1220972126 /nfs/dbraw/zinc/97/21/26/1220972126.db2.gz DXPFEJRNODKOOL-ZIAGYGMSSA-N 2 2 362.434 0.687 20 0 FCADLP CCn1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033770 1221001698 /nfs/dbraw/zinc/00/16/98/1221001698.db2.gz GWPKDVBYHXPPHA-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033770 1221001700 /nfs/dbraw/zinc/00/17/00/1221001700.db2.gz GWPKDVBYHXPPHA-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)Cc1ccccc1 ZINC001111499381 1221024127 /nfs/dbraw/zinc/02/41/27/1221024127.db2.gz DCDTWOFQSADJBZ-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)Cc1ccccc1 ZINC001111499381 1221024129 /nfs/dbraw/zinc/02/41/29/1221024129.db2.gz DCDTWOFQSADJBZ-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)Cc1ccccc1 ZINC001111499381 1221024133 /nfs/dbraw/zinc/02/41/33/1221024133.db2.gz DCDTWOFQSADJBZ-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C)nn1)C2 ZINC001111767310 1221098622 /nfs/dbraw/zinc/09/86/22/1221098622.db2.gz XWMZHFPFGBUSNG-LESCRADOSA-N 2 2 366.485 0.966 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C)nn1)C2 ZINC001111767310 1221098625 /nfs/dbraw/zinc/09/86/25/1221098625.db2.gz XWMZHFPFGBUSNG-LESCRADOSA-N 2 2 366.485 0.966 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111826348 1221128566 /nfs/dbraw/zinc/12/85/66/1221128566.db2.gz DJZLZTKKOQMCCU-LPHOPBHVSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111826348 1221128568 /nfs/dbraw/zinc/12/85/68/1221128568.db2.gz DJZLZTKKOQMCCU-LPHOPBHVSA-N 2 2 359.474 0.770 20 0 FCADLP COCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001111861506 1221140745 /nfs/dbraw/zinc/14/07/45/1221140745.db2.gz QOLHPUFQXXPANE-ZVZYQTTQSA-N 2 2 363.462 0.074 20 0 FCADLP COCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001111861506 1221140746 /nfs/dbraw/zinc/14/07/46/1221140746.db2.gz QOLHPUFQXXPANE-ZVZYQTTQSA-N 2 2 363.462 0.074 20 0 FCADLP COCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001111861506 1221140748 /nfs/dbraw/zinc/14/07/48/1221140748.db2.gz QOLHPUFQXXPANE-ZVZYQTTQSA-N 2 2 363.462 0.074 20 0 FCADLP COCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001111861506 1221140749 /nfs/dbraw/zinc/14/07/49/1221140749.db2.gz QOLHPUFQXXPANE-ZVZYQTTQSA-N 2 2 363.462 0.074 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)C)C3)C1 ZINC001111995986 1221196712 /nfs/dbraw/zinc/19/67/12/1221196712.db2.gz FPUHKWCJMLVFGX-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)C)C3)C1 ZINC001111995986 1221196713 /nfs/dbraw/zinc/19/67/13/1221196713.db2.gz FPUHKWCJMLVFGX-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(C)C)C3)C1 ZINC001111995986 1221196715 /nfs/dbraw/zinc/19/67/15/1221196715.db2.gz FPUHKWCJMLVFGX-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(C)C)C3)C1 ZINC001111995986 1221196717 /nfs/dbraw/zinc/19/67/17/1221196717.db2.gz FPUHKWCJMLVFGX-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001112186876 1221213781 /nfs/dbraw/zinc/21/37/81/1221213781.db2.gz SXGDWKSVTWHFEB-ZIAGYGMSSA-N 2 2 359.478 0.988 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001112186876 1221213785 /nfs/dbraw/zinc/21/37/85/1221213785.db2.gz SXGDWKSVTWHFEB-ZIAGYGMSSA-N 2 2 359.478 0.988 20 0 FCADLP Cn1cncc1[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000783976229 1221226073 /nfs/dbraw/zinc/22/60/73/1221226073.db2.gz QPDZMGLCKBTPCM-QGZVFWFLSA-N 2 2 361.490 0.738 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC001229682725 1226026759 /nfs/dbraw/zinc/02/67/59/1226026759.db2.gz FXFDSUIVOJEBHM-IAGOWNOFSA-N 2 2 361.490 0.896 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001112424454 1221257176 /nfs/dbraw/zinc/25/71/76/1221257176.db2.gz ZXYRJNGXKIFYKO-RFUYNDQBSA-N 2 2 360.458 0.725 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001112432237 1221258423 /nfs/dbraw/zinc/25/84/23/1221258423.db2.gz AJNLDHXGBMROMT-DOXZYTNZSA-N 2 2 359.474 0.410 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001229683478 1226027483 /nfs/dbraw/zinc/02/74/83/1226027483.db2.gz WLRORQYGEUERQX-HUUCEWRRSA-N 2 2 371.445 0.408 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccnn3CC3CC3)C2)CC1 ZINC000784803103 1221260085 /nfs/dbraw/zinc/26/00/85/1221260085.db2.gz MBLVMZHMYNQNIK-OAHLLOKOSA-N 2 2 374.489 0.516 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccnn3CC3CC3)C2)CC1 ZINC000784803103 1221260089 /nfs/dbraw/zinc/26/00/89/1221260089.db2.gz MBLVMZHMYNQNIK-OAHLLOKOSA-N 2 2 374.489 0.516 20 0 FCADLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(OC)c1OCC(N)=O ZINC001116692815 1221379791 /nfs/dbraw/zinc/37/97/91/1221379791.db2.gz SIJOZHRRZGCVQE-ZDUSSCGKSA-N 2 2 360.414 0.869 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001117853769 1221631607 /nfs/dbraw/zinc/63/16/07/1221631607.db2.gz AIPXYEHTPZBCLC-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001117853769 1221631613 /nfs/dbraw/zinc/63/16/13/1221631613.db2.gz AIPXYEHTPZBCLC-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858445 1221633439 /nfs/dbraw/zinc/63/34/39/1221633439.db2.gz MGFBCGVZTALPFI-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858445 1221633446 /nfs/dbraw/zinc/63/34/46/1221633446.db2.gz MGFBCGVZTALPFI-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP [NH3+]Cc1nc(CN2C(=O)N[C@]3(CC[N@H+](Cc4ccccc4)C3)C2=O)no1 ZINC001118135136 1221717700 /nfs/dbraw/zinc/71/77/00/1221717700.db2.gz JIAKNNQTCHWNTB-KRWDZBQOSA-N 2 2 356.386 0.225 20 0 FCADLP [NH3+]Cc1nc(CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)no1 ZINC001118135136 1221717706 /nfs/dbraw/zinc/71/77/06/1221717706.db2.gz JIAKNNQTCHWNTB-KRWDZBQOSA-N 2 2 356.386 0.225 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H]1n1cc[nH+]c1 ZINC001118268815 1221747760 /nfs/dbraw/zinc/74/77/60/1221747760.db2.gz YMQBVLJPQHNPRK-GGXPGOJBSA-N 2 2 359.474 0.880 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NC[C@H]1CCOC1 ZINC001230352484 1226076435 /nfs/dbraw/zinc/07/64/35/1226076435.db2.gz BTNZBSMVJIKIJE-BZUAXINKSA-N 2 2 363.462 0.053 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348258 1226076448 /nfs/dbraw/zinc/07/64/48/1226076448.db2.gz YWKYQDIZEAFLCF-MGPQQGTHSA-N 2 2 364.450 0.134 20 0 FCADLP C[NH+]1CCN(C2CC[NH+](CC(=O)N3CCC4(CC3)OCCO4)CC2)CC1 ZINC001119261132 1221894639 /nfs/dbraw/zinc/89/46/39/1221894639.db2.gz QBSCIKCBOKPMLR-UHFFFAOYSA-N 2 2 366.506 0.064 20 0 FCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001120891571 1222128384 /nfs/dbraw/zinc/12/83/84/1222128384.db2.gz IISMKCBWLGKCNN-YRGRVCCFSA-N 2 2 361.450 0.341 20 0 FCADLP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001120891571 1222128386 /nfs/dbraw/zinc/12/83/86/1222128386.db2.gz IISMKCBWLGKCNN-YRGRVCCFSA-N 2 2 361.450 0.341 20 0 FCADLP C[N@H+](CCNC(=O)NCC[NH+]1CCC2(C1)OCCO2)Cc1ccccc1 ZINC001123614204 1222344403 /nfs/dbraw/zinc/34/44/03/1222344403.db2.gz IKOIYRXTBQKUHX-UHFFFAOYSA-N 2 2 362.474 0.866 20 0 FCADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCC2(C1)OCCO2)Cc1ccccc1 ZINC001123614204 1222344408 /nfs/dbraw/zinc/34/44/08/1222344408.db2.gz IKOIYRXTBQKUHX-UHFFFAOYSA-N 2 2 362.474 0.866 20 0 FCADLP C[NH+](CCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)Cc1ccccc1 ZINC001123614204 1222344412 /nfs/dbraw/zinc/34/44/12/1222344412.db2.gz IKOIYRXTBQKUHX-UHFFFAOYSA-N 2 2 362.474 0.866 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001123890204 1222363628 /nfs/dbraw/zinc/36/36/28/1222363628.db2.gz VQJSNBBZWLLUNL-BBWFWOEESA-N 2 2 355.442 0.528 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001123890204 1222363631 /nfs/dbraw/zinc/36/36/31/1222363631.db2.gz VQJSNBBZWLLUNL-BBWFWOEESA-N 2 2 355.442 0.528 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001123890204 1222363635 /nfs/dbraw/zinc/36/36/35/1222363635.db2.gz VQJSNBBZWLLUNL-BBWFWOEESA-N 2 2 355.442 0.528 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001123890204 1222363639 /nfs/dbraw/zinc/36/36/39/1222363639.db2.gz VQJSNBBZWLLUNL-BBWFWOEESA-N 2 2 355.442 0.528 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000831086357 1222490414 /nfs/dbraw/zinc/49/04/14/1222490414.db2.gz BZAJCMMTNBUVSG-AWEZNQCLSA-N 2 2 372.477 0.642 20 0 FCADLP Cc1cc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nn1C ZINC001138827969 1222526730 /nfs/dbraw/zinc/52/67/30/1222526730.db2.gz IDJWQPZNBHHKKI-UHFFFAOYSA-N 2 2 355.490 0.871 20 0 FCADLP Cc1cc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nn1C ZINC001138827969 1222526737 /nfs/dbraw/zinc/52/67/37/1222526737.db2.gz IDJWQPZNBHHKKI-UHFFFAOYSA-N 2 2 355.490 0.871 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cnc(C(=O)OC)cn3)CC[C@@H]2C1 ZINC001141825629 1222779972 /nfs/dbraw/zinc/77/99/72/1222779972.db2.gz VYDJYYYXBGWITD-RHSMWYFYSA-N 2 2 364.446 0.432 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cnc(C(=O)OC)cn3)CC[C@@H]2C1 ZINC001141825629 1222779979 /nfs/dbraw/zinc/77/99/79/1222779979.db2.gz VYDJYYYXBGWITD-RHSMWYFYSA-N 2 2 364.446 0.432 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cnc(C(=O)OC)cn3)CC[C@@H]2C1 ZINC001141825629 1222779983 /nfs/dbraw/zinc/77/99/83/1222779983.db2.gz VYDJYYYXBGWITD-RHSMWYFYSA-N 2 2 364.446 0.432 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cnc(C(=O)OC)cn3)CC[C@@H]2C1 ZINC001141825629 1222779985 /nfs/dbraw/zinc/77/99/85/1222779985.db2.gz VYDJYYYXBGWITD-RHSMWYFYSA-N 2 2 364.446 0.432 20 0 FCADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)c[nH+]1 ZINC001232461573 1226153208 /nfs/dbraw/zinc/15/32/08/1226153208.db2.gz MLZUCYBREFVXJS-JLJPHGGASA-N 2 2 356.430 0.775 20 0 FCADLP Cc1[nH]c(C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)c[nH+]1 ZINC001232461573 1226153210 /nfs/dbraw/zinc/15/32/10/1226153210.db2.gz MLZUCYBREFVXJS-JLJPHGGASA-N 2 2 356.430 0.775 20 0 FCADLP C[C@@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1C[NH3+] ZINC000843353887 1222872226 /nfs/dbraw/zinc/87/22/26/1222872226.db2.gz QBSQNIMPCZONNR-KGLIPLIRSA-N 2 2 365.478 0.722 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1C[NH3+] ZINC000843353887 1222872230 /nfs/dbraw/zinc/87/22/30/1222872230.db2.gz QBSQNIMPCZONNR-KGLIPLIRSA-N 2 2 365.478 0.722 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@@H]4C3)cn21 ZINC001150403074 1222902352 /nfs/dbraw/zinc/90/23/52/1222902352.db2.gz SOMWQKUXVWONCF-CVEARBPZSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@@H]4C3)cn21 ZINC001150403074 1222902354 /nfs/dbraw/zinc/90/23/54/1222902354.db2.gz SOMWQKUXVWONCF-CVEARBPZSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[N@@H+]4CC[C@@H]4C3)cn21 ZINC001150403074 1222902357 /nfs/dbraw/zinc/90/23/57/1222902357.db2.gz SOMWQKUXVWONCF-CVEARBPZSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[N@H+]4CC[C@@H]4C3)cn21 ZINC001150403074 1222902358 /nfs/dbraw/zinc/90/23/58/1222902358.db2.gz SOMWQKUXVWONCF-CVEARBPZSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC4(C3)C[NH+](C)C4)cn21 ZINC001150401739 1222902415 /nfs/dbraw/zinc/90/24/15/1222902415.db2.gz NMZPCUIPWWSMQW-HNNXBMFYSA-N 2 2 369.473 0.035 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC4(C3)C[NH+](C)C4)cn21 ZINC001150401739 1222902419 /nfs/dbraw/zinc/90/24/19/1222902419.db2.gz NMZPCUIPWWSMQW-HNNXBMFYSA-N 2 2 369.473 0.035 20 0 FCADLP CC[N@H+](CC(=O)NC1CCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998328 1222997990 /nfs/dbraw/zinc/99/79/90/1222997990.db2.gz PAFGDEXPMIRDJO-BFYDXBDKSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](CC(=O)NC1CCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998328 1222997993 /nfs/dbraw/zinc/99/79/93/1222997993.db2.gz PAFGDEXPMIRDJO-BFYDXBDKSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](CC(=O)NC1CCCC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998328 1222998002 /nfs/dbraw/zinc/99/80/02/1222998002.db2.gz PAFGDEXPMIRDJO-BFYDXBDKSA-N 2 2 368.522 0.591 20 0 FCADLP [NH3+]CCN(CCO)c1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001155953203 1223046965 /nfs/dbraw/zinc/04/69/65/1223046965.db2.gz ITUOEWGGTKWDKP-UHFFFAOYSA-N 2 2 360.437 0.700 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)c3ccc4[nH]c(N)[nH+]c4c3)ncn2)CC1 ZINC001156964978 1223064066 /nfs/dbraw/zinc/06/40/66/1223064066.db2.gz UVAVCHNDAGTEKW-UHFFFAOYSA-N 2 2 352.402 0.939 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)c3ccc4[nH]c(N)[nH+]c4c3)cn2)CC1 ZINC001156964255 1223064308 /nfs/dbraw/zinc/06/43/08/1223064308.db2.gz IEXDUUYJDMJCOR-UHFFFAOYSA-N 2 2 352.402 0.939 20 0 FCADLP Cn1cc[nH+]c1CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001157422768 1223076594 /nfs/dbraw/zinc/07/65/94/1223076594.db2.gz NSLXJVUWJTVPCE-IRXDYDNUSA-N 2 2 369.469 0.558 20 0 FCADLP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610377 1223079258 /nfs/dbraw/zinc/07/92/58/1223079258.db2.gz ZRTOEBVDGBRWPL-GYOZQUQXSA-N 2 2 357.454 0.995 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001158007232 1223086313 /nfs/dbraw/zinc/08/63/13/1223086313.db2.gz RVZFGEARIXJGKL-QGZVFWFLSA-N 2 2 360.458 0.069 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1cn(C)c2ccccc12 ZINC001158000251 1223086357 /nfs/dbraw/zinc/08/63/57/1223086357.db2.gz XALBNBVFJYOYKG-RDJZCZTQSA-N 2 2 358.442 0.412 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H](Cc2cccc(C)c2)C[NH2+]1 ZINC001158000181 1223086544 /nfs/dbraw/zinc/08/65/44/1223086544.db2.gz WNBCNCBATQUOBT-SQNIBIBYSA-N 2 2 359.470 0.879 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001158007223 1223086660 /nfs/dbraw/zinc/08/66/60/1223086660.db2.gz RTEMHZWFVMPBHA-DOTOQJQBSA-N 2 2 356.426 0.468 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC001157998374 1223086674 /nfs/dbraw/zinc/08/66/74/1223086674.db2.gz FAHCKXMBNFZZFO-KBPBESRZSA-N 2 2 373.375 0.939 20 0 FCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])CC2 ZINC001158348360 1223095711 /nfs/dbraw/zinc/09/57/11/1223095711.db2.gz RMNCLCBAJDNOGU-KRWDZBQOSA-N 2 2 355.442 0.332 20 0 FCADLP CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])C[C@H]3O2)n1 ZINC001158646295 1223104404 /nfs/dbraw/zinc/10/44/04/1223104404.db2.gz JVWFORLUWUFCQN-CUINURIISA-N 2 2 359.474 0.825 20 0 FCADLP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)CC2 ZINC001158941007 1223113640 /nfs/dbraw/zinc/11/36/40/1223113640.db2.gz DLBRPLKVRQLHLP-ZDUSSCGKSA-N 2 2 360.418 0.333 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001159075192 1223116731 /nfs/dbraw/zinc/11/67/31/1223116731.db2.gz DSQFXLKDZXVKQI-YRBFXIGRSA-N 2 2 371.453 0.331 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001159075183 1223116819 /nfs/dbraw/zinc/11/68/19/1223116819.db2.gz DNSMEACHDSQPKS-NNFUDEMPSA-N 2 2 367.490 0.629 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001159077445 1223117099 /nfs/dbraw/zinc/11/70/99/1223117099.db2.gz PHEYIQUWVBCILH-GJYPPUQNSA-N 2 2 367.490 0.759 20 0 FCADLP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001159127648 1223117729 /nfs/dbraw/zinc/11/77/29/1223117729.db2.gz ULZMPAODIBTZBB-UMHPPVOVSA-N 2 2 374.489 0.248 20 0 FCADLP [NH3+][C@@H](C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192895 1223120254 /nfs/dbraw/zinc/12/02/54/1223120254.db2.gz YTVPLRDKUYGIKB-MAUKXSAKSA-N 3 2 361.490 0.595 20 0 FCADLP N[C@]1(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)CCC[NH2+]C1 ZINC001159282468 1223122681 /nfs/dbraw/zinc/12/26/81/1223122681.db2.gz BGGJKOBKYXWBHX-DNVCBOLYSA-N 2 2 370.457 0.396 20 0 FCADLP N[C@@]1(C(=O)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)CC[NH2+]C1 ZINC001159283040 1223123150 /nfs/dbraw/zinc/12/31/50/1223123150.db2.gz MHNGHRFPAOPHNL-KDOFPFPSSA-N 2 2 356.430 0.006 20 0 FCADLP [NH3+]CCOCCOCCNc1cc(-c2cc3c([nH]2)CCNC3=O)cc[nH+]1 ZINC001159445366 1223127512 /nfs/dbraw/zinc/12/75/12/1223127512.db2.gz XJKSYCFIGHQNRG-UHFFFAOYSA-N 2 2 359.430 0.766 20 0 FCADLP Cn1nc2c(c1C(=O)N1CCCn3cnc(C[NH2+]C4CCC4)c3C1)C[NH2+]C2 ZINC001159565943 1223129763 /nfs/dbraw/zinc/12/97/63/1223129763.db2.gz KRWOXACAEVHWKK-UHFFFAOYSA-N 2 2 369.473 0.908 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001159636094 1223132011 /nfs/dbraw/zinc/13/20/11/1223132011.db2.gz RYLRWIUQWQTZPS-GDBMZVCRSA-N 2 2 370.457 0.609 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159695760 1223133955 /nfs/dbraw/zinc/13/39/55/1223133955.db2.gz GCCOCBDRDYNRFE-RKTXRCNFSA-N 2 2 371.441 0.760 20 0 FCADLP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H]([NH3+])Cc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001159687666 1223134186 /nfs/dbraw/zinc/13/41/86/1223134186.db2.gz FGEDPPAPRFZWFO-OYUZRVEBSA-N 2 2 358.446 0.167 20 0 FCADLP O=C(N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159699639 1223134724 /nfs/dbraw/zinc/13/47/24/1223134724.db2.gz XKKKMWKILFXNMW-YNIGFRRXSA-N 2 2 372.469 0.418 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)cc1 ZINC001159769037 1223135971 /nfs/dbraw/zinc/13/59/71/1223135971.db2.gz HEPZWTZKYGQHML-MLHJIOFPSA-N 2 2 372.469 0.543 20 0 FCADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000054937982 1223136547 /nfs/dbraw/zinc/13/65/47/1223136547.db2.gz WBKHMJRBCWTDCX-QGZVFWFLSA-N 2 2 360.458 0.320 20 0 FCADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000054937982 1223136549 /nfs/dbraw/zinc/13/65/49/1223136549.db2.gz WBKHMJRBCWTDCX-QGZVFWFLSA-N 2 2 360.458 0.320 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001159969987 1223141503 /nfs/dbraw/zinc/14/15/03/1223141503.db2.gz WYBLZVBHXKMNGM-JPLJXNOCSA-N 2 2 374.485 0.543 20 0 FCADLP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160053877 1223143591 /nfs/dbraw/zinc/14/35/91/1223143591.db2.gz WNFWVCLKQLWBPF-GHTZIAJQSA-N 3 2 369.513 0.848 20 0 FCADLP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160053877 1223143592 /nfs/dbraw/zinc/14/35/92/1223143592.db2.gz WNFWVCLKQLWBPF-GHTZIAJQSA-N 3 2 369.513 0.848 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086033 1223144632 /nfs/dbraw/zinc/14/46/32/1223144632.db2.gz QNHBGFPNWAYACK-GJYPPUQNSA-N 2 2 368.441 0.230 20 0 FCADLP [NH3+]C1(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)CC[NH2+]CC1 ZINC001160083870 1223144880 /nfs/dbraw/zinc/14/48/80/1223144880.db2.gz DALGGSCPVSNKLD-CRAIPNDOSA-N 2 2 357.458 0.017 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001160175133 1223148077 /nfs/dbraw/zinc/14/80/77/1223148077.db2.gz AZIQCFILOWFYFQ-UKRRQHHQSA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001160175133 1223148080 /nfs/dbraw/zinc/14/80/80/1223148080.db2.gz AZIQCFILOWFYFQ-UKRRQHHQSA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001160175133 1223148083 /nfs/dbraw/zinc/14/80/83/1223148083.db2.gz AZIQCFILOWFYFQ-UKRRQHHQSA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001160175133 1223148087 /nfs/dbraw/zinc/14/80/87/1223148087.db2.gz AZIQCFILOWFYFQ-UKRRQHHQSA-N 2 2 362.478 0.087 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC(=O)N3Cc3ccccc3)CC2)C1 ZINC001160314737 1223154582 /nfs/dbraw/zinc/15/45/82/1223154582.db2.gz XZRIOXVMCCQCAW-SJORKVTESA-N 2 2 356.470 0.859 20 0 FCADLP O=C(NCCC[NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336783 1223155860 /nfs/dbraw/zinc/15/58/60/1223155860.db2.gz MBRGJKFEPWUDLH-NUEKZKHPSA-N 2 2 366.462 0.166 20 0 FCADLP O=C(NCCC[NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336783 1223155863 /nfs/dbraw/zinc/15/58/63/1223155863.db2.gz MBRGJKFEPWUDLH-NUEKZKHPSA-N 2 2 366.462 0.166 20 0 FCADLP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160434824 1223160250 /nfs/dbraw/zinc/16/02/50/1223160250.db2.gz HOFBYRSJFGDLML-HNAYVOBHSA-N 2 2 368.441 0.789 20 0 FCADLP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490633 1223162692 /nfs/dbraw/zinc/16/26/92/1223162692.db2.gz VLSIRVSRNJSHRY-GOSISDBHSA-N 3 2 357.502 0.643 20 0 FCADLP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566206 1223164684 /nfs/dbraw/zinc/16/46/84/1223164684.db2.gz MYNDNBUNVYGSHL-JCGIZDLHSA-N 2 2 369.469 0.974 20 0 FCADLP O=C(N1CCC(n2c(=O)oc3ccccc32)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160556061 1223164896 /nfs/dbraw/zinc/16/48/96/1223164896.db2.gz KUMCXQCFRXEAJA-BFUOFWGJSA-N 2 2 356.426 0.710 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001160699822 1223169326 /nfs/dbraw/zinc/16/93/26/1223169326.db2.gz IZOBFLDDTXBTAV-CQSZACIVSA-N 2 2 359.434 0.158 20 0 FCADLP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C1)C2 ZINC001160777488 1223171953 /nfs/dbraw/zinc/17/19/53/1223171953.db2.gz ABEQNVWDULZLHU-TXDAXLQXSA-N 2 2 357.454 0.797 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(-c3ccoc3)no2)O1 ZINC001160862425 1223178900 /nfs/dbraw/zinc/17/89/00/1223178900.db2.gz PNUOUIDJPLBJML-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(-c3ccoc3)no2)O1 ZINC001160862425 1223178906 /nfs/dbraw/zinc/17/89/06/1223178906.db2.gz PNUOUIDJPLBJML-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C1 ZINC001160956540 1223181454 /nfs/dbraw/zinc/18/14/54/1223181454.db2.gz KEZARGLSKIAKFR-UGFHNGPFSA-N 2 2 374.445 0.522 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+](CCn2cncn2)CC1 ZINC001161248850 1223191701 /nfs/dbraw/zinc/19/17/01/1223191701.db2.gz OYCPUXMGDWTPSB-IAGOWNOFSA-N 2 2 369.473 0.954 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+](CCn2cncn2)CC1 ZINC001161248850 1223191703 /nfs/dbraw/zinc/19/17/03/1223191703.db2.gz OYCPUXMGDWTPSB-IAGOWNOFSA-N 2 2 369.473 0.954 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001161252700 1223192293 /nfs/dbraw/zinc/19/22/93/1223192293.db2.gz CUPBKPWSBJVKND-BZUAXINKSA-N 2 2 357.458 0.551 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001161252700 1223192297 /nfs/dbraw/zinc/19/22/97/1223192297.db2.gz CUPBKPWSBJVKND-BZUAXINKSA-N 2 2 357.458 0.551 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H](Oc4ccccc4)C[NH2+]3)C2)CC1 ZINC001161377509 1223197179 /nfs/dbraw/zinc/19/71/79/1223197179.db2.gz GNPDFHJGOYXVCZ-NEWSRXKRSA-N 3 2 358.486 0.820 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161573752 1223204598 /nfs/dbraw/zinc/20/45/98/1223204598.db2.gz CMYOXSOLRXLXNM-IKGGRYGDSA-N 2 2 369.473 0.440 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161573752 1223204602 /nfs/dbraw/zinc/20/46/02/1223204602.db2.gz CMYOXSOLRXLXNM-IKGGRYGDSA-N 2 2 369.473 0.440 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 ZINC001162185570 1223211543 /nfs/dbraw/zinc/21/15/43/1223211543.db2.gz RXMFLSMUIICGBV-UHFFFAOYSA-N 2 2 360.462 0.208 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 ZINC001162185570 1223211546 /nfs/dbraw/zinc/21/15/46/1223211546.db2.gz RXMFLSMUIICGBV-UHFFFAOYSA-N 2 2 360.462 0.208 20 0 FCADLP Cc1nocc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995723 1223223540 /nfs/dbraw/zinc/22/35/40/1223223540.db2.gz FVPQATYJXAXYNY-SJORKVTESA-N 2 2 366.462 0.459 20 0 FCADLP C[NH+](C)C1(CNc2ncccc2[C@]2(C)NC(=O)NC2=O)CC[NH+](C)CC1 ZINC001164211760 1223236314 /nfs/dbraw/zinc/23/63/14/1223236314.db2.gz SHDJYNQMPLMHKJ-KRWDZBQOSA-N 2 2 360.462 0.574 20 0 FCADLP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)C2 ZINC001165282771 1223244074 /nfs/dbraw/zinc/24/40/74/1223244074.db2.gz DARFFCSEEYHJAT-KDOFPFPSSA-N 2 2 359.478 0.090 20 0 FCADLP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)C2 ZINC001165282771 1223244077 /nfs/dbraw/zinc/24/40/77/1223244077.db2.gz DARFFCSEEYHJAT-KDOFPFPSSA-N 2 2 359.478 0.090 20 0 FCADLP CCOC(=O)c1nc2n(n1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001165399379 1223245888 /nfs/dbraw/zinc/24/58/88/1223245888.db2.gz QDINAOTWXGRSSV-UHFFFAOYSA-N 2 2 357.418 0.280 20 0 FCADLP COCc1nn(-c2nc(N3CCOCC3)[nH+]c3c2CCN3)c2c1C[NH2+]C2 ZINC001165631907 1223252347 /nfs/dbraw/zinc/25/23/47/1223252347.db2.gz JHFGWGHCJQGJGU-UHFFFAOYSA-N 2 2 357.418 0.217 20 0 FCADLP CC(=O)N1CCC[C@]2(C1)CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CCO2 ZINC001166330245 1223273830 /nfs/dbraw/zinc/27/38/30/1223273830.db2.gz WDWSNYRQIHLSAD-IBGZPJMESA-N 2 2 359.474 0.709 20 0 FCADLP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)[C@@H]2C1 ZINC001166410196 1223276996 /nfs/dbraw/zinc/27/69/96/1223276996.db2.gz KDBNFPOEAKAFRB-CGTJXYLNSA-N 2 2 373.501 1.000 20 0 FCADLP Cn1cccc1C[N@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001203261458 1223292902 /nfs/dbraw/zinc/29/29/02/1223292902.db2.gz SUNPWMLKLBMKOF-UHFFFAOYSA-N 2 2 367.457 0.943 20 0 FCADLP Cn1cccc1C[N@@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001203261458 1223292905 /nfs/dbraw/zinc/29/29/05/1223292905.db2.gz SUNPWMLKLBMKOF-UHFFFAOYSA-N 2 2 367.457 0.943 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccc[nH]1)CC2 ZINC001204004523 1223298027 /nfs/dbraw/zinc/29/80/27/1223298027.db2.gz BSOLTRGJHLCVNA-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1ccc[nH]1)CC2 ZINC001204004523 1223298031 /nfs/dbraw/zinc/29/80/31/1223298031.db2.gz BSOLTRGJHLCVNA-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP Cn1cc(C[N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)cn1 ZINC001205002712 1223305309 /nfs/dbraw/zinc/30/53/09/1223305309.db2.gz ZYYYGVCYPAXAFX-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1cc(C[N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)cn1 ZINC001205002712 1223305314 /nfs/dbraw/zinc/30/53/14/1223305314.db2.gz ZYYYGVCYPAXAFX-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206585809 1223362496 /nfs/dbraw/zinc/36/24/96/1223362496.db2.gz DJTMXRKQKALNHW-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206585809 1223362500 /nfs/dbraw/zinc/36/25/00/1223362500.db2.gz DJTMXRKQKALNHW-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206585809 1223362505 /nfs/dbraw/zinc/36/25/05/1223362505.db2.gz DJTMXRKQKALNHW-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206585809 1223362509 /nfs/dbraw/zinc/36/25/09/1223362509.db2.gz DJTMXRKQKALNHW-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739519 1223368042 /nfs/dbraw/zinc/36/80/42/1223368042.db2.gz NZBTUKYLSKZWPR-QRQLOZEOSA-N 2 2 361.486 0.970 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739519 1223368045 /nfs/dbraw/zinc/36/80/45/1223368045.db2.gz NZBTUKYLSKZWPR-QRQLOZEOSA-N 2 2 361.486 0.970 20 0 FCADLP C[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001206739519 1223368050 /nfs/dbraw/zinc/36/80/50/1223368050.db2.gz NZBTUKYLSKZWPR-QRQLOZEOSA-N 2 2 361.486 0.970 20 0 FCADLP C[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001206739519 1223368054 /nfs/dbraw/zinc/36/80/54/1223368054.db2.gz NZBTUKYLSKZWPR-QRQLOZEOSA-N 2 2 361.486 0.970 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)O1 ZINC000977920999 1248675581 /nfs/dbraw/zinc/67/55/81/1248675581.db2.gz AZJCGWHOSWQQGH-QLFBSQMISA-N 2 2 363.462 0.121 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)O1 ZINC000977920999 1248675595 /nfs/dbraw/zinc/67/55/95/1248675595.db2.gz AZJCGWHOSWQQGH-QLFBSQMISA-N 2 2 363.462 0.121 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919183 1223387001 /nfs/dbraw/zinc/38/70/01/1223387001.db2.gz LDURRCQDYWCJBD-FVQBIDKESA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919183 1223387005 /nfs/dbraw/zinc/38/70/05/1223387005.db2.gz LDURRCQDYWCJBD-FVQBIDKESA-N 2 2 359.474 0.932 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]2CCCO[C@H]12 ZINC001207282839 1223432910 /nfs/dbraw/zinc/43/29/10/1223432910.db2.gz WEZYTFYURALVPF-BZUAXINKSA-N 2 2 363.506 0.970 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]2CCCO[C@H]12 ZINC001207282839 1223432914 /nfs/dbraw/zinc/43/29/14/1223432914.db2.gz WEZYTFYURALVPF-BZUAXINKSA-N 2 2 363.506 0.970 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207537614 1223452649 /nfs/dbraw/zinc/45/26/49/1223452649.db2.gz FEBFLAGIIDFQAK-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207537614 1223452650 /nfs/dbraw/zinc/45/26/50/1223452650.db2.gz FEBFLAGIIDFQAK-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001207537614 1223452652 /nfs/dbraw/zinc/45/26/52/1223452652.db2.gz FEBFLAGIIDFQAK-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207537614 1223452653 /nfs/dbraw/zinc/45/26/53/1223452653.db2.gz FEBFLAGIIDFQAK-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547140 1223454399 /nfs/dbraw/zinc/45/43/99/1223454399.db2.gz MGFFFGWRAOOVPD-ZACQAIPSSA-N 2 2 359.478 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547140 1223454404 /nfs/dbraw/zinc/45/44/04/1223454404.db2.gz MGFFFGWRAOOVPD-ZACQAIPSSA-N 2 2 359.478 0.147 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547328 1223455312 /nfs/dbraw/zinc/45/53/12/1223455312.db2.gz SOFKPXGQZRFKRQ-FVQBIDKESA-N 2 2 360.462 0.746 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547328 1223455315 /nfs/dbraw/zinc/45/53/15/1223455315.db2.gz SOFKPXGQZRFKRQ-FVQBIDKESA-N 2 2 360.462 0.746 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001207698291 1223471714 /nfs/dbraw/zinc/47/17/14/1223471714.db2.gz XBSUJURCWFXVTI-MGPQQGTHSA-N 2 2 369.510 0.387 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C)[NH+](C)C ZINC001207698291 1223471716 /nfs/dbraw/zinc/47/17/16/1223471716.db2.gz XBSUJURCWFXVTI-MGPQQGTHSA-N 2 2 369.510 0.387 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001208004889 1223505570 /nfs/dbraw/zinc/50/55/70/1223505570.db2.gz JFTFNWCNYWNTPW-UKRRQHHQSA-N 2 2 364.494 0.726 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001208004889 1223505575 /nfs/dbraw/zinc/50/55/75/1223505575.db2.gz JFTFNWCNYWNTPW-UKRRQHHQSA-N 2 2 364.494 0.726 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208051163 1223509701 /nfs/dbraw/zinc/50/97/01/1223509701.db2.gz AJVHKCLFSZLDGJ-TVFCKZIOSA-N 2 2 369.506 0.339 20 0 FCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208051163 1223509705 /nfs/dbraw/zinc/50/97/05/1223509705.db2.gz AJVHKCLFSZLDGJ-TVFCKZIOSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062100 1223511202 /nfs/dbraw/zinc/51/12/02/1223511202.db2.gz ZAZUFHNRYSXYMU-OWCLPIDISA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062100 1223511206 /nfs/dbraw/zinc/51/12/06/1223511206.db2.gz ZAZUFHNRYSXYMU-OWCLPIDISA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061842 1223511369 /nfs/dbraw/zinc/51/13/69/1223511369.db2.gz QDXSMFDBVNNHRQ-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061842 1223511372 /nfs/dbraw/zinc/51/13/72/1223511372.db2.gz QDXSMFDBVNNHRQ-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208362297 1223534767 /nfs/dbraw/zinc/53/47/67/1223534767.db2.gz NAOYPDAXASTXGT-BZUAXINKSA-N 2 2 359.474 0.962 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208571930 1223558535 /nfs/dbraw/zinc/55/85/35/1223558535.db2.gz UHOPRTXYCIARLJ-RBSFLKMASA-N 2 2 369.510 0.389 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208571930 1223558539 /nfs/dbraw/zinc/55/85/39/1223558539.db2.gz UHOPRTXYCIARLJ-RBSFLKMASA-N 2 2 369.510 0.389 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605268 1223562307 /nfs/dbraw/zinc/56/23/07/1223562307.db2.gz RESICUDSBMIRKC-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605268 1223562311 /nfs/dbraw/zinc/56/23/11/1223562311.db2.gz RESICUDSBMIRKC-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208605268 1223562313 /nfs/dbraw/zinc/56/23/13/1223562313.db2.gz RESICUDSBMIRKC-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208605268 1223562317 /nfs/dbraw/zinc/56/23/17/1223562317.db2.gz RESICUDSBMIRKC-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)n1 ZINC001276589582 1223580028 /nfs/dbraw/zinc/58/00/28/1223580028.db2.gz XIJXPHDBXQSPTQ-LJQANCHMSA-N 2 2 360.458 0.997 20 0 FCADLP COC(=O)c1cccc(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)n1 ZINC001276589582 1223580032 /nfs/dbraw/zinc/58/00/32/1223580032.db2.gz XIJXPHDBXQSPTQ-LJQANCHMSA-N 2 2 360.458 0.997 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769425 1223648353 /nfs/dbraw/zinc/64/83/53/1223648353.db2.gz MDDCYIGZSXPMOZ-RHSMWYFYSA-N 2 2 370.457 0.842 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769425 1223648354 /nfs/dbraw/zinc/64/83/54/1223648354.db2.gz MDDCYIGZSXPMOZ-RHSMWYFYSA-N 2 2 370.457 0.842 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001210212807 1223675722 /nfs/dbraw/zinc/67/57/22/1223675722.db2.gz CFJKDNZJOODGBF-WRWLIDTKSA-N 2 2 360.502 0.988 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001210212807 1223675726 /nfs/dbraw/zinc/67/57/26/1223675726.db2.gz CFJKDNZJOODGBF-WRWLIDTKSA-N 2 2 360.502 0.988 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330480 1223684633 /nfs/dbraw/zinc/68/46/33/1223684633.db2.gz ZWSQMYHFVMNOPV-GDBMZVCRSA-N 2 2 360.458 0.428 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330480 1223684636 /nfs/dbraw/zinc/68/46/36/1223684636.db2.gz ZWSQMYHFVMNOPV-GDBMZVCRSA-N 2 2 360.458 0.428 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039678 1223720521 /nfs/dbraw/zinc/72/05/21/1223720521.db2.gz TTYITFVGFLXYBZ-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039678 1223720523 /nfs/dbraw/zinc/72/05/23/1223720523.db2.gz TTYITFVGFLXYBZ-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038048 1223720649 /nfs/dbraw/zinc/72/06/49/1223720649.db2.gz BSVJHDLRQBKMMZ-BFYDXBDKSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038048 1223720651 /nfs/dbraw/zinc/72/06/51/1223720651.db2.gz BSVJHDLRQBKMMZ-BFYDXBDKSA-N 2 2 362.474 0.817 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211046467 1223721222 /nfs/dbraw/zinc/72/12/22/1223721222.db2.gz PZDQNKZXFOJHOD-RVKKMQEKSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211046467 1223721228 /nfs/dbraw/zinc/72/12/28/1223721228.db2.gz PZDQNKZXFOJHOD-RVKKMQEKSA-N 2 2 361.490 0.690 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054203 1223722314 /nfs/dbraw/zinc/72/23/14/1223722314.db2.gz JXRDZYYFJGRLCN-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054203 1223722316 /nfs/dbraw/zinc/72/23/16/1223722316.db2.gz JXRDZYYFJGRLCN-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433744 1223741556 /nfs/dbraw/zinc/74/15/56/1223741556.db2.gz RZAHSSLDDIMBCT-NVXWUHKLSA-N 2 2 357.458 0.999 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433744 1223741558 /nfs/dbraw/zinc/74/15/58/1223741558.db2.gz RZAHSSLDDIMBCT-NVXWUHKLSA-N 2 2 357.458 0.999 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213768 1223769076 /nfs/dbraw/zinc/76/90/76/1223769076.db2.gz RMZNCMRATJDRQO-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213768 1223769077 /nfs/dbraw/zinc/76/90/77/1223769077.db2.gz RMZNCMRATJDRQO-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239594 1223775175 /nfs/dbraw/zinc/77/51/75/1223775175.db2.gz RLOBNISEIMKKFU-GVDBMIGSSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239594 1223775178 /nfs/dbraw/zinc/77/51/78/1223775178.db2.gz RLOBNISEIMKKFU-GVDBMIGSSA-N 2 2 366.462 0.284 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252350 1223778479 /nfs/dbraw/zinc/77/84/79/1223778479.db2.gz HWSWWWTVTGZOMH-OWCLPIDISA-N 2 2 368.522 0.720 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252350 1223778481 /nfs/dbraw/zinc/77/84/81/1223778481.db2.gz HWSWWWTVTGZOMH-OWCLPIDISA-N 2 2 368.522 0.720 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329002 1223785537 /nfs/dbraw/zinc/78/55/37/1223785537.db2.gz MHCFJNUQZHNSEV-KZNAEPCWSA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001213329002 1223785540 /nfs/dbraw/zinc/78/55/40/1223785540.db2.gz MHCFJNUQZHNSEV-KZNAEPCWSA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329002 1223785543 /nfs/dbraw/zinc/78/55/43/1223785543.db2.gz MHCFJNUQZHNSEV-KZNAEPCWSA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001213329002 1223785545 /nfs/dbraw/zinc/78/55/45/1223785545.db2.gz MHCFJNUQZHNSEV-KZNAEPCWSA-N 2 2 371.522 0.584 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339856 1223787782 /nfs/dbraw/zinc/78/77/82/1223787782.db2.gz DDLDDYHAKVFQIE-GDBMZVCRSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339856 1223787784 /nfs/dbraw/zinc/78/77/84/1223787784.db2.gz DDLDDYHAKVFQIE-GDBMZVCRSA-N 2 2 364.494 0.264 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348466 1223789268 /nfs/dbraw/zinc/78/92/68/1223789268.db2.gz MRCJAHAOKFOSDX-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348466 1223789270 /nfs/dbraw/zinc/78/92/70/1223789270.db2.gz MRCJAHAOKFOSDX-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374477 1223791633 /nfs/dbraw/zinc/79/16/33/1223791633.db2.gz IPCVWMDAVQTTOM-IXDOHACOSA-N 2 2 371.428 0.765 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374477 1223791636 /nfs/dbraw/zinc/79/16/36/1223791636.db2.gz IPCVWMDAVQTTOM-IXDOHACOSA-N 2 2 371.428 0.765 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)n1 ZINC001213399597 1223793950 /nfs/dbraw/zinc/79/39/50/1223793950.db2.gz AWFXQVPVXQRCNM-JFIYKMOQSA-N 2 2 364.490 0.992 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)n1 ZINC001213399597 1223793953 /nfs/dbraw/zinc/79/39/53/1223793953.db2.gz AWFXQVPVXQRCNM-JFIYKMOQSA-N 2 2 364.490 0.992 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)c1 ZINC001213397203 1223794025 /nfs/dbraw/zinc/79/40/25/1223794025.db2.gz BEPGPXHCBOKABL-KZNAEPCWSA-N 2 2 364.490 0.992 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)c1 ZINC001213397203 1223794028 /nfs/dbraw/zinc/79/40/28/1223794028.db2.gz BEPGPXHCBOKABL-KZNAEPCWSA-N 2 2 364.490 0.992 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001213458136 1223801083 /nfs/dbraw/zinc/80/10/83/1223801083.db2.gz MJCSEOUOVSQVHC-YFHUEUNASA-N 2 2 362.474 0.766 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001213458136 1223801084 /nfs/dbraw/zinc/80/10/84/1223801084.db2.gz MJCSEOUOVSQVHC-YFHUEUNASA-N 2 2 362.474 0.766 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC)[NH+](C)C ZINC001213455966 1223801159 /nfs/dbraw/zinc/80/11/59/1223801159.db2.gz WXULOASTGAIAIS-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC)[NH+](C)C ZINC001213455966 1223801160 /nfs/dbraw/zinc/80/11/60/1223801160.db2.gz WXULOASTGAIAIS-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276702250 1223804498 /nfs/dbraw/zinc/80/44/98/1223804498.db2.gz ZFXJXIBKVYZHBS-GOSISDBHSA-N 2 2 362.430 0.676 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276702250 1223804499 /nfs/dbraw/zinc/80/44/99/1223804499.db2.gz ZFXJXIBKVYZHBS-GOSISDBHSA-N 2 2 362.430 0.676 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001213499839 1223805884 /nfs/dbraw/zinc/80/58/84/1223805884.db2.gz CRXVWLOJCORGIZ-USXIJHARSA-N 2 2 360.462 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001213499839 1223805885 /nfs/dbraw/zinc/80/58/85/1223805885.db2.gz CRXVWLOJCORGIZ-USXIJHARSA-N 2 2 360.462 0.626 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526838 1223810017 /nfs/dbraw/zinc/81/00/17/1223810017.db2.gz XMJYDPYGBQHGIC-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526838 1223810018 /nfs/dbraw/zinc/81/00/18/1223810018.db2.gz XMJYDPYGBQHGIC-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213598988 1223820319 /nfs/dbraw/zinc/82/03/19/1223820319.db2.gz PINFBXJFGZLWDL-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213598988 1223820322 /nfs/dbraw/zinc/82/03/22/1223820322.db2.gz PINFBXJFGZLWDL-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678442 1223831909 /nfs/dbraw/zinc/83/19/09/1223831909.db2.gz WVIBPPBCJYOYBD-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678442 1223831910 /nfs/dbraw/zinc/83/19/10/1223831910.db2.gz WVIBPPBCJYOYBD-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678442 1223831914 /nfs/dbraw/zinc/83/19/14/1223831914.db2.gz WVIBPPBCJYOYBD-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213678442 1223831915 /nfs/dbraw/zinc/83/19/15/1223831915.db2.gz WVIBPPBCJYOYBD-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213713743 1223837829 /nfs/dbraw/zinc/83/78/29/1223837829.db2.gz YQRUOYDPJQJELG-IXDOHACOSA-N 2 2 370.538 0.968 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213713743 1223837832 /nfs/dbraw/zinc/83/78/32/1223837832.db2.gz YQRUOYDPJQJELG-IXDOHACOSA-N 2 2 370.538 0.968 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719159 1223839083 /nfs/dbraw/zinc/83/90/83/1223839083.db2.gz PZLSXURJZWNFDT-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719159 1223839085 /nfs/dbraw/zinc/83/90/85/1223839085.db2.gz PZLSXURJZWNFDT-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213719159 1223839086 /nfs/dbraw/zinc/83/90/86/1223839086.db2.gz PZLSXURJZWNFDT-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213719159 1223839090 /nfs/dbraw/zinc/83/90/90/1223839090.db2.gz PZLSXURJZWNFDT-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C(=O)N1Cc1ncccn1 ZINC001276704897 1223844445 /nfs/dbraw/zinc/84/44/45/1223844445.db2.gz JWJYJMSLEIJMJY-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C(=O)N1Cc1ncccn1 ZINC001276704897 1223844446 /nfs/dbraw/zinc/84/44/46/1223844446.db2.gz JWJYJMSLEIJMJY-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213763444 1223845920 /nfs/dbraw/zinc/84/59/20/1223845920.db2.gz RECFURZURDFRDG-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213763444 1223845921 /nfs/dbraw/zinc/84/59/21/1223845921.db2.gz RECFURZURDFRDG-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213763444 1223845924 /nfs/dbraw/zinc/84/59/24/1223845924.db2.gz RECFURZURDFRDG-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001213763444 1223845926 /nfs/dbraw/zinc/84/59/26/1223845926.db2.gz RECFURZURDFRDG-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213763275 1223846229 /nfs/dbraw/zinc/84/62/29/1223846229.db2.gz MADYSFABQHVJPG-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213763275 1223846231 /nfs/dbraw/zinc/84/62/31/1223846231.db2.gz MADYSFABQHVJPG-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213763275 1223846232 /nfs/dbraw/zinc/84/62/32/1223846232.db2.gz MADYSFABQHVJPG-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213763275 1223846234 /nfs/dbraw/zinc/84/62/34/1223846234.db2.gz MADYSFABQHVJPG-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767518 1223846628 /nfs/dbraw/zinc/84/66/28/1223846628.db2.gz XWTRBQSNMPZYBJ-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767518 1223846629 /nfs/dbraw/zinc/84/66/29/1223846629.db2.gz XWTRBQSNMPZYBJ-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767518 1223846631 /nfs/dbraw/zinc/84/66/31/1223846631.db2.gz XWTRBQSNMPZYBJ-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213767518 1223846632 /nfs/dbraw/zinc/84/66/32/1223846632.db2.gz XWTRBQSNMPZYBJ-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768808 1223846765 /nfs/dbraw/zinc/84/67/65/1223846765.db2.gz ABIVKBQSLGYLGM-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768808 1223846767 /nfs/dbraw/zinc/84/67/67/1223846767.db2.gz ABIVKBQSLGYLGM-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768808 1223846768 /nfs/dbraw/zinc/84/67/68/1223846768.db2.gz ABIVKBQSLGYLGM-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768808 1223846769 /nfs/dbraw/zinc/84/67/69/1223846769.db2.gz ABIVKBQSLGYLGM-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213864019 1223863714 /nfs/dbraw/zinc/86/37/14/1223863714.db2.gz XSOVEQONVSBLIS-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213864019 1223863716 /nfs/dbraw/zinc/86/37/16/1223863716.db2.gz XSOVEQONVSBLIS-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887948 1223867575 /nfs/dbraw/zinc/86/75/75/1223867575.db2.gz IOJVOGPZKMOQNA-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887948 1223867576 /nfs/dbraw/zinc/86/75/76/1223867576.db2.gz IOJVOGPZKMOQNA-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887948 1223867580 /nfs/dbraw/zinc/86/75/80/1223867580.db2.gz IOJVOGPZKMOQNA-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887948 1223867583 /nfs/dbraw/zinc/86/75/83/1223867583.db2.gz IOJVOGPZKMOQNA-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214891910 1223952189 /nfs/dbraw/zinc/95/21/89/1223952189.db2.gz AKWWYIBQFXPZFM-PRULPYPASA-N 2 2 373.379 0.628 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006608 1223963426 /nfs/dbraw/zinc/96/34/26/1223963426.db2.gz XZXHFSKFGWONRA-HACGYAERSA-N 2 2 361.490 0.738 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006608 1223963429 /nfs/dbraw/zinc/96/34/29/1223963429.db2.gz XZXHFSKFGWONRA-HACGYAERSA-N 2 2 361.490 0.738 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215005939 1223963660 /nfs/dbraw/zinc/96/36/60/1223963660.db2.gz LVGJTFSDSZBETK-QLFBSQMISA-N 2 2 361.490 0.797 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215008654 1223963671 /nfs/dbraw/zinc/96/36/71/1223963671.db2.gz WCNXNAJOAOITGO-VNQPRFMTSA-N 2 2 359.474 0.408 20 0 FCADLP 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/nfs/dbraw/zinc/89/39/88/1253893988.db2.gz SCPHDGFUUJIWKD-NVXWUHKLSA-N 2 2 366.506 0.012 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274905 1253988041 /nfs/dbraw/zinc/98/80/41/1253988041.db2.gz VOJMQSXYPFSELJ-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274905 1253988047 /nfs/dbraw/zinc/98/80/47/1253988047.db2.gz VOJMQSXYPFSELJ-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274905 1253988067 /nfs/dbraw/zinc/98/80/67/1253988067.db2.gz VOJMQSXYPFSELJ-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274905 1253988071 /nfs/dbraw/zinc/98/80/71/1253988071.db2.gz VOJMQSXYPFSELJ-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC2)O1 ZINC001063556990 1254357899 /nfs/dbraw/zinc/35/78/99/1254357899.db2.gz IKWMQTVMYRGXOT-OWCLPIDISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC2)O1 ZINC001063556990 1254357909 /nfs/dbraw/zinc/35/79/09/1254357909.db2.gz IKWMQTVMYRGXOT-OWCLPIDISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC2)O1 ZINC001063556990 1254357925 /nfs/dbraw/zinc/35/79/25/1254357925.db2.gz IKWMQTVMYRGXOT-OWCLPIDISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC2)O1 ZINC001063556990 1254357935 /nfs/dbraw/zinc/35/79/35/1254357935.db2.gz IKWMQTVMYRGXOT-OWCLPIDISA-N 2 2 366.506 0.345 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001064581570 1254448505 /nfs/dbraw/zinc/44/85/05/1254448505.db2.gz UAJDHNMBLYXODR-HUUCEWRRSA-N 2 2 370.457 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CCCF)C3)CC2)CC[N@@H+]1C ZINC001065709615 1254582183 /nfs/dbraw/zinc/58/21/83/1254582183.db2.gz XGVHUEJWYPPADN-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CCCF)C3)CC2)CC[N@H+]1C ZINC001065709615 1254582199 /nfs/dbraw/zinc/58/21/99/1254582199.db2.gz XGVHUEJWYPPADN-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001520274631 1265895146 /nfs/dbraw/zinc/89/51/46/1265895146.db2.gz KADRAIBLRBWGKZ-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001520274631 1265895156 /nfs/dbraw/zinc/89/51/56/1265895156.db2.gz KADRAIBLRBWGKZ-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@H]1O)CC2 ZINC001077583611 1254737389 /nfs/dbraw/zinc/73/73/89/1254737389.db2.gz DJNSPFURRFXGCN-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@H]1O)CC2 ZINC001077583611 1254737401 /nfs/dbraw/zinc/73/74/01/1254737401.db2.gz DJNSPFURRFXGCN-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077675521 1254855523 /nfs/dbraw/zinc/85/55/23/1254855523.db2.gz PUBNVRCNCXQMEA-DJIMGWMZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001077675521 1254855533 /nfs/dbraw/zinc/85/55/33/1254855533.db2.gz PUBNVRCNCXQMEA-DJIMGWMZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077675521 1254855540 /nfs/dbraw/zinc/85/55/40/1254855540.db2.gz PUBNVRCNCXQMEA-DJIMGWMZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077675521 1254855551 /nfs/dbraw/zinc/85/55/51/1254855551.db2.gz PUBNVRCNCXQMEA-DJIMGWMZSA-N 2 2 365.449 0.850 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cc1 ZINC001077676771 1254860767 /nfs/dbraw/zinc/86/07/67/1254860767.db2.gz IXIGXXCPJUSKON-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cc1 ZINC001077676771 1254860771 /nfs/dbraw/zinc/86/07/71/1254860771.db2.gz IXIGXXCPJUSKON-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1 ZINC001077676771 1254860778 /nfs/dbraw/zinc/86/07/78/1254860778.db2.gz IXIGXXCPJUSKON-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1 ZINC001077676771 1254860786 /nfs/dbraw/zinc/86/07/86/1254860786.db2.gz IXIGXXCPJUSKON-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679159 1254862971 /nfs/dbraw/zinc/86/29/71/1254862971.db2.gz INZHHINHZRMQKT-DJIMGWMZSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679159 1254862981 /nfs/dbraw/zinc/86/29/81/1254862981.db2.gz INZHHINHZRMQKT-DJIMGWMZSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679159 1254862990 /nfs/dbraw/zinc/86/29/90/1254862990.db2.gz INZHHINHZRMQKT-DJIMGWMZSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679159 1254863002 /nfs/dbraw/zinc/86/30/02/1254863002.db2.gz INZHHINHZRMQKT-DJIMGWMZSA-N 2 2 361.490 0.151 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001077685514 1254877205 /nfs/dbraw/zinc/87/72/05/1254877205.db2.gz VXTMCOFZTHNFSN-IAGOWNOFSA-N 2 2 363.506 0.339 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001077685514 1254877217 /nfs/dbraw/zinc/87/72/17/1254877217.db2.gz VXTMCOFZTHNFSN-IAGOWNOFSA-N 2 2 363.506 0.339 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC001077685514 1254877231 /nfs/dbraw/zinc/87/72/31/1254877231.db2.gz VXTMCOFZTHNFSN-IAGOWNOFSA-N 2 2 363.506 0.339 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC001077685514 1254877239 /nfs/dbraw/zinc/87/72/39/1254877239.db2.gz VXTMCOFZTHNFSN-IAGOWNOFSA-N 2 2 363.506 0.339 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941476 1255113773 /nfs/dbraw/zinc/11/37/73/1255113773.db2.gz PZXXREVUYGVXKG-KBAYOESNSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941476 1255113779 /nfs/dbraw/zinc/11/37/79/1255113779.db2.gz PZXXREVUYGVXKG-KBAYOESNSA-N 2 2 371.441 0.611 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1)OC ZINC001077941322 1255114071 /nfs/dbraw/zinc/11/40/71/1255114071.db2.gz FDFRIVGOPHKAGR-DJIMGWMZSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1)OC ZINC001077941322 1255114077 /nfs/dbraw/zinc/11/40/77/1255114077.db2.gz FDFRIVGOPHKAGR-DJIMGWMZSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1)OC ZINC001077992055 1255152297 /nfs/dbraw/zinc/15/22/97/1255152297.db2.gz GDVXXDUVENAAMX-USXIJHARSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1)OC ZINC001077992055 1255152302 /nfs/dbraw/zinc/15/23/02/1255152302.db2.gz GDVXXDUVENAAMX-USXIJHARSA-N 2 2 359.430 0.467 20 0 FCADLP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078006707 1255163493 /nfs/dbraw/zinc/16/34/93/1255163493.db2.gz CIPPUVICCPPYCK-QZTJIDSGSA-N 2 2 358.442 0.511 20 0 FCADLP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078006707 1255163496 /nfs/dbraw/zinc/16/34/96/1255163496.db2.gz CIPPUVICCPPYCK-QZTJIDSGSA-N 2 2 358.442 0.511 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001078007152 1255164089 /nfs/dbraw/zinc/16/40/89/1255164089.db2.gz KXHDJDYESVJCSY-QZTJIDSGSA-N 2 2 364.490 0.863 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001078007152 1255164092 /nfs/dbraw/zinc/16/40/92/1255164092.db2.gz KXHDJDYESVJCSY-QZTJIDSGSA-N 2 2 364.490 0.863 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001078006902 1255164409 /nfs/dbraw/zinc/16/44/09/1255164409.db2.gz IEPMDBCDPDTHMP-QZTJIDSGSA-N 2 2 353.426 0.805 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O ZINC001078006902 1255164412 /nfs/dbraw/zinc/16/44/12/1255164412.db2.gz IEPMDBCDPDTHMP-QZTJIDSGSA-N 2 2 353.426 0.805 20 0 FCADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001078012912 1255169211 /nfs/dbraw/zinc/16/92/11/1255169211.db2.gz ILRFGEHFTBOFJI-QZTJIDSGSA-N 2 2 358.486 0.962 20 0 FCADLP CC(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001078012912 1255169218 /nfs/dbraw/zinc/16/92/18/1255169218.db2.gz ILRFGEHFTBOFJI-QZTJIDSGSA-N 2 2 358.486 0.962 20 0 FCADLP 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O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083155092 1257411782 /nfs/dbraw/zinc/41/17/82/1257411782.db2.gz CSGKEHSKHCIOCN-ZWKOTPCHSA-N 2 2 356.426 0.780 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155405 1257412040 /nfs/dbraw/zinc/41/20/40/1257412040.db2.gz SLGLKKYVCWXJHW-JCGIZDLHSA-N 2 2 356.426 0.778 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC001083155405 1257412047 /nfs/dbraw/zinc/41/20/47/1257412047.db2.gz SLGLKKYVCWXJHW-JCGIZDLHSA-N 2 2 356.426 0.778 20 0 FCADLP CC1(C)CO[C@H](C[N@@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001083157557 1257414085 /nfs/dbraw/zinc/41/40/85/1257414085.db2.gz CPDVFSAPRVXMGX-YESZJQIVSA-N 2 2 362.474 1.000 20 0 FCADLP CC1(C)CO[C@H](C[N@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001083157557 1257414087 /nfs/dbraw/zinc/41/40/87/1257414087.db2.gz CPDVFSAPRVXMGX-YESZJQIVSA-N 2 2 362.474 1.000 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001083645384 1257463525 /nfs/dbraw/zinc/46/35/25/1257463525.db2.gz YLHDXJDOOYOSFI-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001083645384 1257463527 /nfs/dbraw/zinc/46/35/27/1257463527.db2.gz YLHDXJDOOYOSFI-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781798 1257525793 /nfs/dbraw/zinc/52/57/93/1257525793.db2.gz WBXHBJIAOGBMDT-OLMNPRSZSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781798 1257525799 /nfs/dbraw/zinc/52/57/99/1257525799.db2.gz WBXHBJIAOGBMDT-OLMNPRSZSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781798 1257525803 /nfs/dbraw/zinc/52/58/03/1257525803.db2.gz WBXHBJIAOGBMDT-OLMNPRSZSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781798 1257525808 /nfs/dbraw/zinc/52/58/08/1257525808.db2.gz WBXHBJIAOGBMDT-OLMNPRSZSA-N 2 2 363.506 0.776 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781819 1257526512 /nfs/dbraw/zinc/52/65/12/1257526512.db2.gz WSIIPZXOMBEKSD-RVKKMQEKSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781819 1257526516 /nfs/dbraw/zinc/52/65/16/1257526516.db2.gz WSIIPZXOMBEKSD-RVKKMQEKSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H](O)C2)cn1 ZINC001083864044 1257627152 /nfs/dbraw/zinc/62/71/52/1257627152.db2.gz VFVRWPQXMOLHIU-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H](O)C2)cn1 ZINC001083864044 1257627156 /nfs/dbraw/zinc/62/71/56/1257627156.db2.gz VFVRWPQXMOLHIU-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953510 1257742941 /nfs/dbraw/zinc/74/29/41/1257742941.db2.gz VLFDHUONXOUVFF-UAGQMJEPSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)n1 ZINC001083953510 1257742948 /nfs/dbraw/zinc/74/29/48/1257742948.db2.gz VLFDHUONXOUVFF-UAGQMJEPSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953510 1257742953 /nfs/dbraw/zinc/74/29/53/1257742953.db2.gz VLFDHUONXOUVFF-UAGQMJEPSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)n1 ZINC001083953510 1257742958 /nfs/dbraw/zinc/74/29/58/1257742958.db2.gz VLFDHUONXOUVFF-UAGQMJEPSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001084059341 1257875102 /nfs/dbraw/zinc/87/51/02/1257875102.db2.gz DLLWGRIGVLOPHJ-AEFFLSMTSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1O ZINC001084059341 1257875116 /nfs/dbraw/zinc/87/51/16/1257875116.db2.gz DLLWGRIGVLOPHJ-AEFFLSMTSA-N 2 2 357.458 0.619 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077045 1257903081 /nfs/dbraw/zinc/90/30/81/1257903081.db2.gz CWLDWDLNFAKRIM-HVWXGUPWSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077045 1257903088 /nfs/dbraw/zinc/90/30/88/1257903088.db2.gz CWLDWDLNFAKRIM-HVWXGUPWSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077045 1257903090 /nfs/dbraw/zinc/90/30/90/1257903090.db2.gz CWLDWDLNFAKRIM-HVWXGUPWSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077045 1257903096 /nfs/dbraw/zinc/90/30/96/1257903096.db2.gz CWLDWDLNFAKRIM-HVWXGUPWSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078018 1257904735 /nfs/dbraw/zinc/90/47/35/1257904735.db2.gz KABYIWWZDYQLMC-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078018 1257904740 /nfs/dbraw/zinc/90/47/40/1257904740.db2.gz KABYIWWZDYQLMC-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078018 1257904747 /nfs/dbraw/zinc/90/47/47/1257904747.db2.gz KABYIWWZDYQLMC-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078018 1257904751 /nfs/dbraw/zinc/90/47/51/1257904751.db2.gz KABYIWWZDYQLMC-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077976 1257905529 /nfs/dbraw/zinc/90/55/29/1257905529.db2.gz IVKIYLHWJRURQZ-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077976 1257905536 /nfs/dbraw/zinc/90/55/36/1257905536.db2.gz IVKIYLHWJRURQZ-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077976 1257905543 /nfs/dbraw/zinc/90/55/43/1257905543.db2.gz IVKIYLHWJRURQZ-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077976 1257905549 /nfs/dbraw/zinc/90/55/49/1257905549.db2.gz IVKIYLHWJRURQZ-QYZOEREBSA-N 2 2 361.486 0.685 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001084115281 1257933178 /nfs/dbraw/zinc/93/31/78/1257933178.db2.gz FLZKNRUOJBXBCJ-SJORKVTESA-N 2 2 356.426 0.222 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001084115281 1257933182 /nfs/dbraw/zinc/93/31/82/1257933182.db2.gz FLZKNRUOJBXBCJ-SJORKVTESA-N 2 2 356.426 0.222 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251158 1257987826 /nfs/dbraw/zinc/98/78/26/1257987826.db2.gz DCVDERKTFVILDB-KYJSFNMBSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251158 1257987835 /nfs/dbraw/zinc/98/78/35/1257987835.db2.gz DCVDERKTFVILDB-KYJSFNMBSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251158 1257987841 /nfs/dbraw/zinc/98/78/41/1257987841.db2.gz DCVDERKTFVILDB-KYJSFNMBSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251158 1257987849 /nfs/dbraw/zinc/98/78/49/1257987849.db2.gz DCVDERKTFVILDB-KYJSFNMBSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251159 1257987943 /nfs/dbraw/zinc/98/79/43/1257987943.db2.gz DCVDERKTFVILDB-QGPMSJSTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251159 1257987951 /nfs/dbraw/zinc/98/79/51/1257987951.db2.gz DCVDERKTFVILDB-QGPMSJSTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251159 1257987956 /nfs/dbraw/zinc/98/79/56/1257987956.db2.gz DCVDERKTFVILDB-QGPMSJSTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251159 1257987961 /nfs/dbraw/zinc/98/79/61/1257987961.db2.gz DCVDERKTFVILDB-QGPMSJSTSA-N 2 2 362.474 0.909 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084403004 1258082240 /nfs/dbraw/zinc/08/22/40/1258082240.db2.gz BCYZJVMKPQNZPT-JFIYKMOQSA-N 2 2 362.518 0.776 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084403004 1258082247 /nfs/dbraw/zinc/08/22/47/1258082247.db2.gz BCYZJVMKPQNZPT-JFIYKMOQSA-N 2 2 362.518 0.776 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084403004 1258082254 /nfs/dbraw/zinc/08/22/54/1258082254.db2.gz BCYZJVMKPQNZPT-JFIYKMOQSA-N 2 2 362.518 0.776 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084403004 1258082262 /nfs/dbraw/zinc/08/22/62/1258082262.db2.gz BCYZJVMKPQNZPT-JFIYKMOQSA-N 2 2 362.518 0.776 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084560787 1258169218 /nfs/dbraw/zinc/16/92/18/1258169218.db2.gz CISJYBHFPCKLAJ-BRWVUGGUSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084560787 1258169223 /nfs/dbraw/zinc/16/92/23/1258169223.db2.gz CISJYBHFPCKLAJ-BRWVUGGUSA-N 2 2 359.474 0.722 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662383 1258224246 /nfs/dbraw/zinc/22/42/46/1258224246.db2.gz HWRRAQKUAKDEFS-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662383 1258224249 /nfs/dbraw/zinc/22/42/49/1258224249.db2.gz HWRRAQKUAKDEFS-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662383 1258224256 /nfs/dbraw/zinc/22/42/56/1258224256.db2.gz HWRRAQKUAKDEFS-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)n1 ZINC001084662383 1258224263 /nfs/dbraw/zinc/22/42/63/1258224263.db2.gz HWRRAQKUAKDEFS-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001084662793 1258225623 /nfs/dbraw/zinc/22/56/23/1258225623.db2.gz XEDYGVQXTAFWRR-IAGOWNOFSA-N 2 2 362.518 0.873 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001084662793 1258225627 /nfs/dbraw/zinc/22/56/27/1258225627.db2.gz XEDYGVQXTAFWRR-IAGOWNOFSA-N 2 2 362.518 0.873 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001084662793 1258225633 /nfs/dbraw/zinc/22/56/33/1258225633.db2.gz XEDYGVQXTAFWRR-IAGOWNOFSA-N 2 2 362.518 0.873 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC001084662793 1258225640 /nfs/dbraw/zinc/22/56/40/1258225640.db2.gz XEDYGVQXTAFWRR-IAGOWNOFSA-N 2 2 362.518 0.873 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084775745 1258317712 /nfs/dbraw/zinc/31/77/12/1258317712.db2.gz SIHFPYSYLDNIJR-ZMSDIMECSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084775745 1258317721 /nfs/dbraw/zinc/31/77/21/1258317721.db2.gz SIHFPYSYLDNIJR-ZMSDIMECSA-N 2 2 359.474 0.412 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084778332 1258320112 /nfs/dbraw/zinc/32/01/12/1258320112.db2.gz RHLRHWXFJWNKMU-GDBMZVCRSA-N 2 2 357.458 0.614 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001084778332 1258320118 /nfs/dbraw/zinc/32/01/18/1258320118.db2.gz RHLRHWXFJWNKMU-GDBMZVCRSA-N 2 2 357.458 0.614 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084799659 1258340034 /nfs/dbraw/zinc/34/00/34/1258340034.db2.gz VUENGBYEGMKYAL-NVXWUHKLSA-N 2 2 355.442 0.692 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084799659 1258340043 /nfs/dbraw/zinc/34/00/43/1258340043.db2.gz VUENGBYEGMKYAL-NVXWUHKLSA-N 2 2 355.442 0.692 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084805310 1258347896 /nfs/dbraw/zinc/34/78/96/1258347896.db2.gz IRHYPVXKMRCVRS-DJIMGWMZSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084805310 1258347904 /nfs/dbraw/zinc/34/79/04/1258347904.db2.gz IRHYPVXKMRCVRS-DJIMGWMZSA-N 2 2 359.474 0.506 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001084844589 1258394541 /nfs/dbraw/zinc/39/45/41/1258394541.db2.gz ZPUPEJRWJKIALS-KBAYOESNSA-N 2 2 361.490 0.482 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001084844589 1258394550 /nfs/dbraw/zinc/39/45/50/1258394550.db2.gz ZPUPEJRWJKIALS-KBAYOESNSA-N 2 2 361.490 0.482 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001084844589 1258394556 /nfs/dbraw/zinc/39/45/56/1258394556.db2.gz ZPUPEJRWJKIALS-KBAYOESNSA-N 2 2 361.490 0.482 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001084844589 1258394564 /nfs/dbraw/zinc/39/45/64/1258394564.db2.gz ZPUPEJRWJKIALS-KBAYOESNSA-N 2 2 361.490 0.482 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084955304 1258466505 /nfs/dbraw/zinc/46/65/05/1258466505.db2.gz RRDAYTQXGAXEEY-ZBFHGGJFSA-N 2 2 360.462 0.290 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084955304 1258466509 /nfs/dbraw/zinc/46/65/09/1258466509.db2.gz RRDAYTQXGAXEEY-ZBFHGGJFSA-N 2 2 360.462 0.290 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084955304 1258466515 /nfs/dbraw/zinc/46/65/15/1258466515.db2.gz RRDAYTQXGAXEEY-ZBFHGGJFSA-N 2 2 360.462 0.290 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084955304 1258466520 /nfs/dbraw/zinc/46/65/20/1258466520.db2.gz RRDAYTQXGAXEEY-ZBFHGGJFSA-N 2 2 360.462 0.290 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)cn1 ZINC001084970029 1258483101 /nfs/dbraw/zinc/48/31/01/1258483101.db2.gz KOWIEYYLYBHJEF-ZAWLATJESA-N 2 2 373.501 0.927 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)cn1 ZINC001084970029 1258483104 /nfs/dbraw/zinc/48/31/04/1258483104.db2.gz KOWIEYYLYBHJEF-ZAWLATJESA-N 2 2 373.501 0.927 20 0 FCADLP 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CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001085064151 1258558747 /nfs/dbraw/zinc/55/87/47/1258558747.db2.gz CJBFYRRYXOAYLS-PBHICJAKSA-N 2 2 368.441 0.550 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@H]2C1 ZINC001085075286 1258570623 /nfs/dbraw/zinc/57/06/23/1258570623.db2.gz YIFVUJGCLYGJLL-AEFFLSMTSA-N 2 2 369.469 0.784 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)[C@H]2C1 ZINC001085075286 1258570629 /nfs/dbraw/zinc/57/06/29/1258570629.db2.gz YIFVUJGCLYGJLL-AEFFLSMTSA-N 2 2 369.469 0.784 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085083364 1258577446 /nfs/dbraw/zinc/57/74/46/1258577446.db2.gz VODIWGCOTZEPJI-VYDXJSESSA-N 2 2 369.473 0.962 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085083364 1258577452 /nfs/dbraw/zinc/57/74/52/1258577452.db2.gz VODIWGCOTZEPJI-VYDXJSESSA-N 2 2 369.473 0.962 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085105765 1258599605 /nfs/dbraw/zinc/59/96/05/1258599605.db2.gz DLYZFGVNFZSXMT-PMPSAXMXSA-N 2 2 355.446 0.585 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085105765 1258599607 /nfs/dbraw/zinc/59/96/07/1258599607.db2.gz DLYZFGVNFZSXMT-PMPSAXMXSA-N 2 2 355.446 0.585 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088183482 1258703811 /nfs/dbraw/zinc/70/38/11/1258703811.db2.gz ISOJANIRHAPUGY-CABCVRRESA-N 2 2 360.462 0.066 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088183482 1258703816 /nfs/dbraw/zinc/70/38/16/1258703816.db2.gz ISOJANIRHAPUGY-CABCVRRESA-N 2 2 360.462 0.066 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088183788 1258703918 /nfs/dbraw/zinc/70/39/18/1258703918.db2.gz WKOMAOMBLOQIRD-CABCVRRESA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)CC[C@@H]2C1 ZINC001088183788 1258703922 /nfs/dbraw/zinc/70/39/22/1258703922.db2.gz WKOMAOMBLOQIRD-CABCVRRESA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088183309 1258705170 /nfs/dbraw/zinc/70/51/70/1258705170.db2.gz AEPPKYUXDHOYPN-CVEARBPZSA-N 2 2 359.474 0.663 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088183309 1258705178 /nfs/dbraw/zinc/70/51/78/1258705178.db2.gz AEPPKYUXDHOYPN-CVEARBPZSA-N 2 2 359.474 0.663 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088187106 1258707950 /nfs/dbraw/zinc/70/79/50/1258707950.db2.gz HCXLKJAOGJYNPX-CABCVRRESA-N 2 2 357.462 0.462 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1 ZINC001088187106 1258707952 /nfs/dbraw/zinc/70/79/52/1258707952.db2.gz HCXLKJAOGJYNPX-CABCVRRESA-N 2 2 357.462 0.462 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199955 1258720802 /nfs/dbraw/zinc/72/08/02/1258720802.db2.gz JWTJUUHEKWACHA-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199955 1258720793 /nfs/dbraw/zinc/72/07/93/1258720793.db2.gz JWTJUUHEKWACHA-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199955 1258720796 /nfs/dbraw/zinc/72/07/96/1258720796.db2.gz JWTJUUHEKWACHA-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199955 1258720806 /nfs/dbraw/zinc/72/08/06/1258720806.db2.gz JWTJUUHEKWACHA-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4ccon4)CC[C@@H]3C2)C1 ZINC001088199936 1258721574 /nfs/dbraw/zinc/72/15/74/1258721574.db2.gz IZTAXRQZHRHJHG-ILXRZTDVSA-N 2 2 361.446 0.345 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4ccon4)CC[C@@H]3C2)C1 ZINC001088199936 1258721579 /nfs/dbraw/zinc/72/15/79/1258721579.db2.gz IZTAXRQZHRHJHG-ILXRZTDVSA-N 2 2 361.446 0.345 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)Nc4ccon4)CC[C@@H]3C2)C1 ZINC001088199936 1258721587 /nfs/dbraw/zinc/72/15/87/1258721587.db2.gz IZTAXRQZHRHJHG-ILXRZTDVSA-N 2 2 361.446 0.345 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)Nc4ccon4)CC[C@@H]3C2)C1 ZINC001088199936 1258721591 /nfs/dbraw/zinc/72/15/91/1258721591.db2.gz IZTAXRQZHRHJHG-ILXRZTDVSA-N 2 2 361.446 0.345 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088202088 1258724221 /nfs/dbraw/zinc/72/42/21/1258724221.db2.gz KKRUXNGNMDRJLG-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088202088 1258724228 /nfs/dbraw/zinc/72/42/28/1258724228.db2.gz KKRUXNGNMDRJLG-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208383 1258733276 /nfs/dbraw/zinc/73/32/76/1258733276.db2.gz XHDDZROWLZTLIM-IKGGRYGDSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208383 1258733279 /nfs/dbraw/zinc/73/32/79/1258733279.db2.gz XHDDZROWLZTLIM-IKGGRYGDSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208383 1258733283 /nfs/dbraw/zinc/73/32/83/1258733283.db2.gz XHDDZROWLZTLIM-IKGGRYGDSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nccn4C)CC[C@@H]3C2)C1 ZINC001088208383 1258733289 /nfs/dbraw/zinc/73/32/89/1258733289.db2.gz XHDDZROWLZTLIM-IKGGRYGDSA-N 2 2 361.490 0.421 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219720 1258741126 /nfs/dbraw/zinc/74/11/26/1258741126.db2.gz RROBBYPANQFDQM-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219720 1258741135 /nfs/dbraw/zinc/74/11/35/1258741135.db2.gz RROBBYPANQFDQM-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3nnnn3C)CC(C)(C)C2)CC[N@@H+]1C ZINC001089388303 1258759635 /nfs/dbraw/zinc/75/96/35/1258759635.db2.gz AEESGSIZISUDRC-RBSFLKMASA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3nnnn3C)CC(C)(C)C2)CC[N@H+]1C ZINC001089388303 1258759639 /nfs/dbraw/zinc/75/96/39/1258759639.db2.gz AEESGSIZISUDRC-RBSFLKMASA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3nnnn3C)CC(C)(C)C2)CC[NH+]1C ZINC001089388303 1258759642 /nfs/dbraw/zinc/75/96/42/1258759642.db2.gz AEESGSIZISUDRC-RBSFLKMASA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3nnnn3C)CC(C)(C)C2)CC[NH+]1C ZINC001089388303 1258759647 /nfs/dbraw/zinc/75/96/47/1258759647.db2.gz AEESGSIZISUDRC-RBSFLKMASA-N 2 2 363.510 0.657 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735849 1258825747 /nfs/dbraw/zinc/82/57/47/1258825747.db2.gz HGOWUMCZRSVGFE-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735849 1258825755 /nfs/dbraw/zinc/82/57/55/1258825755.db2.gz HGOWUMCZRSVGFE-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092735849 1258825768 /nfs/dbraw/zinc/82/57/68/1258825768.db2.gz HGOWUMCZRSVGFE-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092735849 1258825779 /nfs/dbraw/zinc/82/57/79/1258825779.db2.gz HGOWUMCZRSVGFE-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092749076 1258826823 /nfs/dbraw/zinc/82/68/23/1258826823.db2.gz RHFVATKBOKYNNP-BPLDGKMQSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092749076 1258826835 /nfs/dbraw/zinc/82/68/35/1258826835.db2.gz RHFVATKBOKYNNP-BPLDGKMQSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092749076 1258826842 /nfs/dbraw/zinc/82/68/42/1258826842.db2.gz RHFVATKBOKYNNP-BPLDGKMQSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092749076 1258826850 /nfs/dbraw/zinc/82/68/50/1258826850.db2.gz RHFVATKBOKYNNP-BPLDGKMQSA-N 2 2 361.490 0.595 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820584 1258856234 /nfs/dbraw/zinc/85/62/34/1258856234.db2.gz IPWCYGVTGHILQF-HUUCEWRRSA-N 2 2 355.442 0.864 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820584 1258856242 /nfs/dbraw/zinc/85/62/42/1258856242.db2.gz IPWCYGVTGHILQF-HUUCEWRRSA-N 2 2 355.442 0.864 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106656245 1258933678 /nfs/dbraw/zinc/93/36/78/1258933678.db2.gz SWPUEKKWOQEKLG-KFWWJZLASA-N 2 2 361.490 0.992 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678133 1258940658 /nfs/dbraw/zinc/94/06/58/1258940658.db2.gz ZVLMCLWRZAJQLF-QBPKDAKJSA-N 2 2 364.490 0.871 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NCc1cccnc1 ZINC001106799091 1258965322 /nfs/dbraw/zinc/96/53/22/1258965322.db2.gz BCGAPMGYUNHASH-GDBMZVCRSA-N 2 2 370.457 0.348 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NCc1ccccc1 ZINC001106799889 1258965790 /nfs/dbraw/zinc/96/57/90/1258965790.db2.gz VXBPOWQFDGGTIW-NVXWUHKLSA-N 2 2 369.469 0.953 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106869768 1258982642 /nfs/dbraw/zinc/98/26/42/1258982642.db2.gz LRSSIUFFPCIRRL-HUUCEWRRSA-N 2 2 370.457 0.653 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001107076004 1259027902 /nfs/dbraw/zinc/02/79/02/1259027902.db2.gz HOMGOQJQBJILHR-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCCCCC1 ZINC001107077590 1259028838 /nfs/dbraw/zinc/02/88/38/1259028838.db2.gz MGRXPZVWHPMDKI-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481413 1259100817 /nfs/dbraw/zinc/10/08/17/1259100817.db2.gz YCQAPIPVKHFDIZ-FRQCXROJSA-N 2 2 364.490 0.721 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481413 1259100820 /nfs/dbraw/zinc/10/08/20/1259100820.db2.gz YCQAPIPVKHFDIZ-FRQCXROJSA-N 2 2 364.490 0.721 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)Nc1ccon1)CC2 ZINC001107533782 1259110226 /nfs/dbraw/zinc/11/02/26/1259110226.db2.gz GHASJEBJSVMLDO-RDTXWAMCSA-N 2 2 363.462 0.926 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)Nc1ccon1)CC2 ZINC001107533782 1259110233 /nfs/dbraw/zinc/11/02/33/1259110233.db2.gz GHASJEBJSVMLDO-RDTXWAMCSA-N 2 2 363.462 0.926 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2 ZINC001107652643 1259144351 /nfs/dbraw/zinc/14/43/51/1259144351.db2.gz ZHAPBOIFXMJEGB-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCCC1=O)CC2 ZINC001107652643 1259144356 /nfs/dbraw/zinc/14/43/56/1259144356.db2.gz ZHAPBOIFXMJEGB-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP COCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024244 1259151584 /nfs/dbraw/zinc/15/15/84/1259151584.db2.gz IYDBQYQBAHTGPI-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP COCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024244 1259151586 /nfs/dbraw/zinc/15/15/86/1259151586.db2.gz IYDBQYQBAHTGPI-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP COCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024244 1259151591 /nfs/dbraw/zinc/15/15/91/1259151591.db2.gz IYDBQYQBAHTGPI-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP COCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024244 1259151593 /nfs/dbraw/zinc/15/15/93/1259151593.db2.gz IYDBQYQBAHTGPI-ZHALLVOQSA-N 2 2 371.522 0.729 20 0 FCADLP CCOCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001108546007 1259157333 /nfs/dbraw/zinc/15/73/33/1259157333.db2.gz LUZXCQDRSQJSLO-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP CCOCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001108546007 1259157337 /nfs/dbraw/zinc/15/73/37/1259157337.db2.gz LUZXCQDRSQJSLO-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547998 1259179169 /nfs/dbraw/zinc/17/91/69/1259179169.db2.gz WBLDYWSDZBHTKE-OWCLPIDISA-N 2 2 361.490 0.774 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001154680002 1259383312 /nfs/dbraw/zinc/38/33/12/1259383312.db2.gz UQYRWHOHHZPNAL-SFHVURJKSA-N 2 2 369.469 0.693 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC001168737239 1259391306 /nfs/dbraw/zinc/39/13/06/1259391306.db2.gz XWQYSTVIXPWUMB-UHFFFAOYSA-N 2 2 351.418 0.864 20 0 FCADLP NC(=O)C1CC[NH+](CCC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001180610198 1259395956 /nfs/dbraw/zinc/39/59/56/1259395956.db2.gz FWLCNVYCZBGQHV-HNNXBMFYSA-N 2 2 372.460 0.906 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200728377 1259420338 /nfs/dbraw/zinc/42/03/38/1259420338.db2.gz HNKWQLRYERIHRR-RBSFLKMASA-N 2 2 363.462 0.245 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403030 1259489879 /nfs/dbraw/zinc/48/98/79/1259489879.db2.gz AEZJCDPDXMRCQT-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403030 1259489884 /nfs/dbraw/zinc/48/98/84/1259489884.db2.gz AEZJCDPDXMRCQT-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403030 1259489889 /nfs/dbraw/zinc/48/98/89/1259489889.db2.gz AEZJCDPDXMRCQT-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403030 1259489893 /nfs/dbraw/zinc/48/98/93/1259489893.db2.gz AEZJCDPDXMRCQT-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406479 1259492538 /nfs/dbraw/zinc/49/25/38/1259492538.db2.gz UQBZDYSNADYHBP-IXDOHACOSA-N 2 2 369.485 0.769 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406479 1259492541 /nfs/dbraw/zinc/49/25/41/1259492541.db2.gz UQBZDYSNADYHBP-IXDOHACOSA-N 2 2 369.485 0.769 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409738 1259494322 /nfs/dbraw/zinc/49/43/22/1259494322.db2.gz LCYOHHZSOYTGHK-OIISXLGYSA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409738 1259494325 /nfs/dbraw/zinc/49/43/25/1259494325.db2.gz LCYOHHZSOYTGHK-OIISXLGYSA-N 2 2 364.494 0.262 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436796 1259505728 /nfs/dbraw/zinc/50/57/28/1259505728.db2.gz KJWZERHBCULFJW-ZACQAIPSSA-N 2 2 364.490 0.992 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436796 1259505736 /nfs/dbraw/zinc/50/57/36/1259505736.db2.gz KJWZERHBCULFJW-ZACQAIPSSA-N 2 2 364.490 0.992 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001212442568 1259508254 /nfs/dbraw/zinc/50/82/54/1259508254.db2.gz PNRPUHHXRSARGX-BRWVUGGUSA-N 2 2 368.478 0.295 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001212442568 1259508260 /nfs/dbraw/zinc/50/82/60/1259508260.db2.gz PNRPUHHXRSARGX-BRWVUGGUSA-N 2 2 368.478 0.295 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212495399 1259525159 /nfs/dbraw/zinc/52/51/59/1259525159.db2.gz DMSUOQBNJVRFAJ-IAGOWNOFSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212495399 1259525165 /nfs/dbraw/zinc/52/51/65/1259525165.db2.gz DMSUOQBNJVRFAJ-IAGOWNOFSA-N 2 2 366.462 0.592 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)O1 ZINC001235579232 1259578330 /nfs/dbraw/zinc/57/83/30/1259578330.db2.gz CTUJPZDUGLATPH-XLAORIBOSA-N 2 2 374.485 0.759 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)O1 ZINC001235579232 1259578338 /nfs/dbraw/zinc/57/83/38/1259578338.db2.gz CTUJPZDUGLATPH-XLAORIBOSA-N 2 2 374.485 0.759 20 0 FCADLP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]21 ZINC001235624943 1259581393 /nfs/dbraw/zinc/58/13/93/1259581393.db2.gz OKXPAYCNGREFHD-OWSLCNJRSA-N 2 2 361.490 0.919 20 0 FCADLP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]21 ZINC001235624943 1259581398 /nfs/dbraw/zinc/58/13/98/1259581398.db2.gz OKXPAYCNGREFHD-OWSLCNJRSA-N 2 2 361.490 0.919 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CC1 ZINC001235794407 1259582680 /nfs/dbraw/zinc/58/26/80/1259582680.db2.gz AILVWHPEAWQVBL-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CC1 ZINC001235794407 1259582685 /nfs/dbraw/zinc/58/26/85/1259582685.db2.gz AILVWHPEAWQVBL-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC1 ZINC001235794407 1259582692 /nfs/dbraw/zinc/58/26/92/1259582692.db2.gz AILVWHPEAWQVBL-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC1 ZINC001235794407 1259582699 /nfs/dbraw/zinc/58/26/99/1259582699.db2.gz AILVWHPEAWQVBL-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c[nH+]cn1Cc1ccccc1 ZINC001236309818 1259588545 /nfs/dbraw/zinc/58/85/45/1259588545.db2.gz PUAHTPJACJJTTI-UHFFFAOYSA-N 3 2 358.490 0.547 20 0 FCADLP COc1ccccc1C1([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246004973 1259642866 /nfs/dbraw/zinc/64/28/66/1259642866.db2.gz LQYWVJNCRHUZKI-MRXNPFEDSA-N 3 2 363.502 0.729 20 0 FCADLP CCOC[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691170 1259660187 /nfs/dbraw/zinc/66/01/87/1259660187.db2.gz DLJNTFCDZKMFOL-HZPDHXFCSA-N 2 2 360.506 0.718 20 0 FCADLP CCOC[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691170 1259660194 /nfs/dbraw/zinc/66/01/94/1259660194.db2.gz DLJNTFCDZKMFOL-HZPDHXFCSA-N 2 2 360.506 0.718 20 0 FCADLP C[C@H]1C[C@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC[NH2+]1 ZINC001246703219 1259663412 /nfs/dbraw/zinc/66/34/12/1259663412.db2.gz RAVWUXOAIUMLLY-LSDHHAIUSA-N 2 2 360.506 0.306 20 0 FCADLP C[C@H]1CC[C@@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C[NH2+]1 ZINC001246705815 1259664696 /nfs/dbraw/zinc/66/46/96/1259664696.db2.gz YSDMVBGMFWQFPO-LSDHHAIUSA-N 2 2 360.506 0.306 20 0 FCADLP C[C@H]1C[C@@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC[NH2+]1 ZINC001246703214 1259664719 /nfs/dbraw/zinc/66/47/19/1259664719.db2.gz RAVWUXOAIUMLLY-GJZGRUSLSA-N 2 2 360.506 0.306 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246701399 1259664752 /nfs/dbraw/zinc/66/47/52/1259664752.db2.gz CNSLNNOYKCPCGO-BWQRHGBYSA-N 2 2 364.421 0.452 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452940 1259668538 /nfs/dbraw/zinc/66/85/38/1259668538.db2.gz RDNPMEAZZFBAQO-BZSNNMDCSA-N 3 2 354.539 0.608 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452940 1259668545 /nfs/dbraw/zinc/66/85/45/1259668545.db2.gz RDNPMEAZZFBAQO-BZSNNMDCSA-N 3 2 354.539 0.608 20 0 FCADLP C[C@H]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C[NH2+]1 ZINC001246768816 1259686751 /nfs/dbraw/zinc/68/67/51/1259686751.db2.gz CLESXTAPJLKJAM-GOEBONIOSA-N 2 2 371.489 0.545 20 0 FCADLP C[C@@H]1C[C@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC[NH2+]1 ZINC001246772411 1259687994 /nfs/dbraw/zinc/68/79/94/1259687994.db2.gz DNIVLRJGMHPAGN-HUUCEWRRSA-N 2 2 371.489 0.545 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335505558 1259689467 /nfs/dbraw/zinc/68/94/67/1259689467.db2.gz KGYDYHZSFPERSY-GDBMZVCRSA-N 2 2 354.470 0.431 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335505558 1259689472 /nfs/dbraw/zinc/68/94/72/1259689472.db2.gz KGYDYHZSFPERSY-GDBMZVCRSA-N 2 2 354.470 0.431 20 0 FCADLP c1ccc(CCc2nnc3n2CC[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001247005325 1259697542 /nfs/dbraw/zinc/69/75/42/1259697542.db2.gz SZMBFBOVQKYDRO-QGZVFWFLSA-N 2 2 352.486 0.973 20 0 FCADLP c1ccc(CCc2nnc3n2CC[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001247005325 1259697552 /nfs/dbraw/zinc/69/75/52/1259697552.db2.gz SZMBFBOVQKYDRO-QGZVFWFLSA-N 2 2 352.486 0.973 20 0 FCADLP CC(=O)c1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cc1 ZINC001247332034 1259699581 /nfs/dbraw/zinc/69/95/81/1259699581.db2.gz IBCLUODAOUJKGF-AWEZNQCLSA-N 2 2 354.370 0.849 20 0 FCADLP COc1nc(C)ccc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247333290 1259701657 /nfs/dbraw/zinc/70/16/57/1259701657.db2.gz GVZAEMNIXUPBKF-LBPRGKRZSA-N 2 2 357.374 0.358 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2ncccc2C2CC2)no1 ZINC001247335538 1259702248 /nfs/dbraw/zinc/70/22/48/1259702248.db2.gz RBRWORNDZUFAJR-ZDUSSCGKSA-N 2 2 353.386 0.918 20 0 FCADLP C[NH+]1CCN(Cc2cccc(-c3noc([C@@H]4C[NH2+]CC45C[NH2+]C5)n3)c2)CC1 ZINC001247832287 1259704495 /nfs/dbraw/zinc/70/44/95/1259704495.db2.gz XQODMUWZMFVOMW-KRWDZBQOSA-N 3 2 368.485 0.760 20 0 FCADLP CN1CC[NH+](Cc2cccc(-c3noc([C@@H]4C[NH2+]CC45C[NH2+]C5)n3)c2)CC1 ZINC001247832287 1259704500 /nfs/dbraw/zinc/70/45/00/1259704500.db2.gz XQODMUWZMFVOMW-KRWDZBQOSA-N 3 2 368.485 0.760 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)COc1ccccc1)CCC2 ZINC001251178109 1259741151 /nfs/dbraw/zinc/74/11/51/1259741151.db2.gz MHEYMMGSVAGXDY-KRWDZBQOSA-N 2 2 372.469 0.951 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)COc1ccccc1)CCC2 ZINC001251178109 1259741154 /nfs/dbraw/zinc/74/11/54/1259741154.db2.gz MHEYMMGSVAGXDY-KRWDZBQOSA-N 2 2 372.469 0.951 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335631591 1259752877 /nfs/dbraw/zinc/75/28/77/1259752877.db2.gz ZQUMMFZPRRKVKT-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc[nH+]1 ZINC001335630586 1259753056 /nfs/dbraw/zinc/75/30/56/1259753056.db2.gz SNFVEZOQYYRDSE-INIZCTEOSA-N 2 2 374.489 0.775 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253182388 1259826841 /nfs/dbraw/zinc/82/68/41/1259826841.db2.gz ORDVMYXONSZZGQ-GOSISDBHSA-N 3 2 364.534 0.513 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253182388 1259826848 /nfs/dbraw/zinc/82/68/48/1259826848.db2.gz ORDVMYXONSZZGQ-GOSISDBHSA-N 3 2 364.534 0.513 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001253184776 1259826865 /nfs/dbraw/zinc/82/68/65/1259826865.db2.gz KLXCMRCPRVDVDU-KZNAEPCWSA-N 2 2 363.506 0.706 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001253184776 1259826871 /nfs/dbraw/zinc/82/68/71/1259826871.db2.gz KLXCMRCPRVDVDU-KZNAEPCWSA-N 2 2 363.506 0.706 20 0 FCADLP CN(C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335774451 1259833165 /nfs/dbraw/zinc/83/31/65/1259833165.db2.gz VMUZDRFYGKJJLU-SJLPKXTDSA-N 2 2 374.489 0.540 20 0 FCADLP CN(C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335774451 1259833171 /nfs/dbraw/zinc/83/31/71/1259833171.db2.gz VMUZDRFYGKJJLU-SJLPKXTDSA-N 2 2 374.489 0.540 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253797783 1259856845 /nfs/dbraw/zinc/85/68/45/1259856845.db2.gz IATBCIUGPMUJSY-HNNXBMFYSA-N 2 2 368.478 0.481 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253797783 1259856855 /nfs/dbraw/zinc/85/68/55/1259856855.db2.gz IATBCIUGPMUJSY-HNNXBMFYSA-N 2 2 368.478 0.481 20 0 FCADLP CCOC(=O)C[NH+]1CCC(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)CC1 ZINC001254407384 1259880832 /nfs/dbraw/zinc/88/08/32/1259880832.db2.gz IXBMBLGQTSKHDC-INIZCTEOSA-N 2 2 363.506 0.904 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@@H+](C1CCOCC1)C2 ZINC001255040128 1259903382 /nfs/dbraw/zinc/90/33/82/1259903382.db2.gz JYUTWRMKXMUTLP-MRXNPFEDSA-N 2 2 364.490 0.847 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@H+](C1CCOCC1)C2 ZINC001255040128 1259903388 /nfs/dbraw/zinc/90/33/88/1259903388.db2.gz JYUTWRMKXMUTLP-MRXNPFEDSA-N 2 2 364.490 0.847 20 0 FCADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001255954429 1259929102 /nfs/dbraw/zinc/92/91/02/1259929102.db2.gz DGQLSTIUEGGACL-AJNGGQMLSA-N 2 2 372.510 0.267 20 0 FCADLP CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]C1CC[NH+](C3CC3)CC1)OCC2 ZINC001256066552 1259932009 /nfs/dbraw/zinc/93/20/09/1259932009.db2.gz HPVXJSLPOSQRSU-QGZVFWFLSA-N 2 2 361.490 0.802 20 0 FCADLP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074098 1259932638 /nfs/dbraw/zinc/93/26/38/1259932638.db2.gz LDFYFTBDMVFACY-KRWDZBQOSA-N 2 2 360.458 0.121 20 0 FCADLP O=C([C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001256077434 1259934401 /nfs/dbraw/zinc/93/44/01/1259934401.db2.gz PZKWMBHYKXJEHX-GBESFXJTSA-N 2 2 363.502 0.809 20 0 FCADLP O=C([C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001256077434 1259934407 /nfs/dbraw/zinc/93/44/07/1259934407.db2.gz PZKWMBHYKXJEHX-GBESFXJTSA-N 2 2 363.502 0.809 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CC[NH+](Cc2ccncc2)CC1 ZINC001256580604 1259956207 /nfs/dbraw/zinc/95/62/07/1259956207.db2.gz STFNODDQZCJPCP-INIZCTEOSA-N 3 2 362.478 0.440 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336779892 1260221370 /nfs/dbraw/zinc/22/13/70/1260221370.db2.gz KXKJMTYCBFZSMS-JQHSSLGASA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336779892 1260221377 /nfs/dbraw/zinc/22/13/77/1260221377.db2.gz KXKJMTYCBFZSMS-JQHSSLGASA-N 2 2 351.491 0.797 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001336926786 1260256126 /nfs/dbraw/zinc/25/61/26/1260256126.db2.gz PRJJZKHUBZJMFE-IRXDYDNUSA-N 2 2 366.506 0.651 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930125 1260257457 /nfs/dbraw/zinc/25/74/57/1260257457.db2.gz VYNIAYUQNOMBBG-YOEHRIQHSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930125 1260257460 /nfs/dbraw/zinc/25/74/60/1260257460.db2.gz VYNIAYUQNOMBBG-YOEHRIQHSA-N 2 2 360.458 0.839 20 0 FCADLP O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001337409238 1260392545 /nfs/dbraw/zinc/39/25/45/1260392545.db2.gz KFIGRZJAAWPVKT-IYBDPMFKSA-N 2 2 372.469 0.928 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001271683828 1260447450 /nfs/dbraw/zinc/44/74/50/1260447450.db2.gz SRRUTJZDZZEQLM-IXDOHACOSA-N 2 2 357.458 0.569 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C)CC1 ZINC001338152700 1260573560 /nfs/dbraw/zinc/57/35/60/1260573560.db2.gz KJLZMBUBMYAMDB-OAHLLOKOSA-N 2 2 352.483 0.365 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2C)CC1 ZINC001338152700 1260573567 /nfs/dbraw/zinc/57/35/67/1260573567.db2.gz KJLZMBUBMYAMDB-OAHLLOKOSA-N 2 2 352.483 0.365 20 0 FCADLP [NH3+]Cc1ccc(CNC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC001332142341 1266344632 /nfs/dbraw/zinc/34/46/32/1266344632.db2.gz RSILAPQJOKQCTI-UHFFFAOYSA-N 2 2 369.473 0.929 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211417 1260624754 /nfs/dbraw/zinc/62/47/54/1260624754.db2.gz XRSAMGUHPCIEJK-HKUYNNGSSA-N 2 2 361.490 0.945 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211417 1260624758 /nfs/dbraw/zinc/62/47/58/1260624758.db2.gz XRSAMGUHPCIEJK-HKUYNNGSSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211417 1260624762 /nfs/dbraw/zinc/62/47/62/1260624762.db2.gz XRSAMGUHPCIEJK-HKUYNNGSSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(CCC[N@@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211417 1260624766 /nfs/dbraw/zinc/62/47/66/1260624766.db2.gz XRSAMGUHPCIEJK-HKUYNNGSSA-N 2 2 361.490 0.945 20 0 FCADLP O=C1NC2(CC[NH+](Cc3ccon3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279286334 1260823537 /nfs/dbraw/zinc/82/35/37/1260823537.db2.gz XXCGMLIHZUUZMG-HOTGVXAUSA-N 2 2 356.430 0.610 20 0 FCADLP O=C1NC2(CC[NH+](Cc3ccon3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279286334 1260823539 /nfs/dbraw/zinc/82/35/39/1260823539.db2.gz XXCGMLIHZUUZMG-HOTGVXAUSA-N 2 2 356.430 0.610 20 0 FCADLP COc1ncc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)c(OC)n1 ZINC001279697105 1260916916 /nfs/dbraw/zinc/91/69/16/1260916916.db2.gz HARAAEJIZYTOQO-UHFFFAOYSA-N 2 2 363.462 0.480 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCC3(C[NH+](CCCC4OCCO4)C3)O2)CC1 ZINC001279784741 1260935657 /nfs/dbraw/zinc/93/56/57/1260935657.db2.gz JFZNQQIAGRAJBA-MRXNPFEDSA-N 2 2 367.490 0.583 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280061667 1260987354 /nfs/dbraw/zinc/98/73/54/1260987354.db2.gz GWTBMESVATWJHE-GOEBONIOSA-N 2 2 361.446 0.722 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280061667 1260987356 /nfs/dbraw/zinc/98/73/56/1260987356.db2.gz GWTBMESVATWJHE-GOEBONIOSA-N 2 2 361.446 0.722 20 0 FCADLP COCOCCC[NH+]1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001280089817 1260995863 /nfs/dbraw/zinc/99/58/63/1260995863.db2.gz HQCQNDIASUBXJG-QGZVFWFLSA-N 2 2 369.506 0.783 20 0 FCADLP CCOC(=O)CC[N@@H+]1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280091109 1260998016 /nfs/dbraw/zinc/99/80/16/1260998016.db2.gz HOMZYADWWIBIOE-UHFFFAOYSA-N 2 2 363.462 0.545 20 0 FCADLP CCOC(=O)CC[N@H+]1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280091109 1260998019 /nfs/dbraw/zinc/99/80/19/1260998019.db2.gz HOMZYADWWIBIOE-UHFFFAOYSA-N 2 2 363.462 0.545 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[N@@H+](C2CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280176536 1261021873 /nfs/dbraw/zinc/02/18/73/1261021873.db2.gz VWCVEDRHIIFMEN-XLIONFOSSA-N 2 2 360.502 0.816 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[N@H+](C2CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280176536 1261021878 /nfs/dbraw/zinc/02/18/78/1261021878.db2.gz VWCVEDRHIIFMEN-XLIONFOSSA-N 2 2 360.502 0.816 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCn3nccc3C[N@@H+]2CC2(C)COC2)CC1 ZINC001280180266 1261022345 /nfs/dbraw/zinc/02/23/45/1261022345.db2.gz HHKVKCMXGLAULV-KRWDZBQOSA-N 2 2 361.490 0.704 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCn3nccc3C[N@H+]2CC2(C)COC2)CC1 ZINC001280180266 1261022349 /nfs/dbraw/zinc/02/23/49/1261022349.db2.gz HHKVKCMXGLAULV-KRWDZBQOSA-N 2 2 361.490 0.704 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258848 1261043379 /nfs/dbraw/zinc/04/33/79/1261043379.db2.gz OMLRYFJMEYMBPV-NVXWUHKLSA-N 2 2 361.490 0.706 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280258848 1261043382 /nfs/dbraw/zinc/04/33/82/1261043382.db2.gz OMLRYFJMEYMBPV-NVXWUHKLSA-N 2 2 361.490 0.706 20 0 FCADLP C[NH+]1CCN(C(=O)N2CC3(CCN3C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280303540 1261052648 /nfs/dbraw/zinc/05/26/48/1261052648.db2.gz WTNJGPJKAOJAFS-INIZCTEOSA-N 2 2 361.490 0.125 20 0 FCADLP COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001475287081 1261524884 /nfs/dbraw/zinc/52/48/84/1261524884.db2.gz MIYHBQFZHUSKBG-INIZCTEOSA-N 2 2 356.492 0.380 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@@H+]1C ZINC001283953694 1261722064 /nfs/dbraw/zinc/72/20/64/1261722064.db2.gz KDVIKMYNZWZQEE-FVQBIDKESA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@H+]1C ZINC001283953694 1261722069 /nfs/dbraw/zinc/72/20/69/1261722069.db2.gz KDVIKMYNZWZQEE-FVQBIDKESA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284235124 1261737876 /nfs/dbraw/zinc/73/78/76/1261737876.db2.gz ASZMVZUPWYRZKA-NUEKZKHPSA-N 2 2 361.490 0.876 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001289809587 1262346136 /nfs/dbraw/zinc/34/61/36/1262346136.db2.gz COZQDPPIYBCUMB-HZPDHXFCSA-N 2 2 359.474 0.888 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001298074559 1262908783 /nfs/dbraw/zinc/90/87/83/1262908783.db2.gz VPUWWJNIOGAITP-HUUCEWRRSA-N 2 2 358.446 0.646 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc4n[nH]nc4n3)CC2)CC1 ZINC001299520248 1262965330 /nfs/dbraw/zinc/96/53/30/1262965330.db2.gz GWIMYZJQTTUPSG-UHFFFAOYSA-N 2 2 357.462 0.985 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc4n[nH]nc4n3)CC2)CC1 ZINC001299520248 1262965337 /nfs/dbraw/zinc/96/53/37/1262965337.db2.gz GWIMYZJQTTUPSG-UHFFFAOYSA-N 2 2 357.462 0.985 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580377792 1278190261 /nfs/dbraw/zinc/19/02/61/1278190261.db2.gz ALINFGLTHUUQQG-OCCSQVGLSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580379555 1278193986 /nfs/dbraw/zinc/19/39/86/1278193986.db2.gz LNAOZQCAGYMQHU-YPMHNXCESA-N 2 2 353.390 0.242 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001479892571 1263413923 /nfs/dbraw/zinc/41/39/23/1263413923.db2.gz HQNYHRUAQQLPHP-ARFHVFGLSA-N 2 2 350.463 0.454 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001316703009 1263429929 /nfs/dbraw/zinc/42/99/29/1263429929.db2.gz DWFPDIGNGFLWCJ-OCCSQVGLSA-N 2 2 360.418 0.796 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001316758152 1263464139 /nfs/dbraw/zinc/46/41/39/1263464139.db2.gz PXEBZDIUUOLZEK-OAGGEKHMSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001316758152 1263464144 /nfs/dbraw/zinc/46/41/44/1263464144.db2.gz PXEBZDIUUOLZEK-OAGGEKHMSA-N 2 2 361.490 0.989 20 0 FCADLP CCN1CC[C@H]([N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001484759319 1263485337 /nfs/dbraw/zinc/48/53/37/1263485337.db2.gz ZBTBJHYQZKGITH-OAGGEKHMSA-N 2 2 361.490 0.925 20 0 FCADLP CCN1CC[C@H]([N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001484759319 1263485343 /nfs/dbraw/zinc/48/53/43/1263485343.db2.gz ZBTBJHYQZKGITH-OAGGEKHMSA-N 2 2 361.490 0.925 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001318553019 1263585332 /nfs/dbraw/zinc/58/53/32/1263585332.db2.gz MGZNGFYDIUWKNM-GOSISDBHSA-N 2 2 373.501 0.716 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001318553019 1263585336 /nfs/dbraw/zinc/58/53/36/1263585336.db2.gz MGZNGFYDIUWKNM-GOSISDBHSA-N 2 2 373.501 0.716 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001318553020 1263585428 /nfs/dbraw/zinc/58/54/28/1263585428.db2.gz MGZNGFYDIUWKNM-SFHVURJKSA-N 2 2 373.501 0.716 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001318553020 1263585433 /nfs/dbraw/zinc/58/54/33/1263585433.db2.gz MGZNGFYDIUWKNM-SFHVURJKSA-N 2 2 373.501 0.716 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318772010 1263607847 /nfs/dbraw/zinc/60/78/47/1263607847.db2.gz LXGLTDPRXPIIDX-IRXDYDNUSA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318772010 1263607856 /nfs/dbraw/zinc/60/78/56/1263607856.db2.gz LXGLTDPRXPIIDX-IRXDYDNUSA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001318772010 1263607868 /nfs/dbraw/zinc/60/78/68/1263607868.db2.gz LXGLTDPRXPIIDX-IRXDYDNUSA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001318772010 1263607878 /nfs/dbraw/zinc/60/78/78/1263607878.db2.gz LXGLTDPRXPIIDX-IRXDYDNUSA-N 2 2 359.474 0.360 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1nnc2n1CCCC2 ZINC001319246242 1263669110 /nfs/dbraw/zinc/66/91/10/1263669110.db2.gz QGHHASZCTMFVGQ-RBSFLKMASA-N 2 2 371.489 0.994 20 0 FCADLP C[C@@H]1CN(CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001320030022 1263755569 /nfs/dbraw/zinc/75/55/69/1263755569.db2.gz NZXBEPXBDNWVHL-KZNAEPCWSA-N 2 2 374.533 0.651 20 0 FCADLP OC[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)CC1CCOCC1 ZINC001321296394 1263930831 /nfs/dbraw/zinc/93/08/31/1263930831.db2.gz OCWLAZBEFUEMFA-IBGZPJMESA-N 2 2 369.550 0.798 20 0 FCADLP OC[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)CC1CCOCC1 ZINC001321296394 1263930836 /nfs/dbraw/zinc/93/08/36/1263930836.db2.gz OCWLAZBEFUEMFA-IBGZPJMESA-N 2 2 369.550 0.798 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC001321410973 1263955607 /nfs/dbraw/zinc/95/56/07/1263955607.db2.gz WKVMKNYOODSPLE-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC001321410973 1263955614 /nfs/dbraw/zinc/95/56/14/1263955614.db2.gz WKVMKNYOODSPLE-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001499203358 1264012379 /nfs/dbraw/zinc/01/23/79/1264012379.db2.gz GHKFCBLNIZCDTJ-INIZCTEOSA-N 2 2 364.494 0.084 20 0 FCADLP CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001499203358 1264012386 /nfs/dbraw/zinc/01/23/86/1264012386.db2.gz GHKFCBLNIZCDTJ-INIZCTEOSA-N 2 2 364.494 0.084 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001321903075 1264095334 /nfs/dbraw/zinc/09/53/34/1264095334.db2.gz UXVUKXABJHJGHQ-HNNXBMFYSA-N 2 2 361.490 0.802 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@]3(C)CCOC3)CC2)CC1 ZINC001322203011 1264165538 /nfs/dbraw/zinc/16/55/38/1264165538.db2.gz UVZWOPWHVNVTQZ-LJQANCHMSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC001322499281 1264206925 /nfs/dbraw/zinc/20/69/25/1264206925.db2.gz IFBNRPYTIOTOAT-CABCVRRESA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)C1CC1 ZINC001322499281 1264206933 /nfs/dbraw/zinc/20/69/33/1264206933.db2.gz IFBNRPYTIOTOAT-CABCVRRESA-N 2 2 361.490 0.800 20 0 FCADLP COC(=O)c1cnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001323577497 1264460736 /nfs/dbraw/zinc/46/07/36/1264460736.db2.gz CSKGGCCLNTYSBQ-AWEZNQCLSA-N 2 2 361.446 0.504 20 0 FCADLP COC(=O)c1cnc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001323577497 1264460741 /nfs/dbraw/zinc/46/07/41/1264460741.db2.gz CSKGGCCLNTYSBQ-AWEZNQCLSA-N 2 2 361.446 0.504 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3ccccn3)CC2)CC1 ZINC001323693784 1264487371 /nfs/dbraw/zinc/48/73/71/1264487371.db2.gz HEYOPYYBSZBTHK-UHFFFAOYSA-N 2 2 359.474 0.373 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001323967342 1264550558 /nfs/dbraw/zinc/55/05/58/1264550558.db2.gz KZINJWIYIBWCBZ-KRWDZBQOSA-N 2 2 367.453 0.901 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001323967342 1264550564 /nfs/dbraw/zinc/55/05/64/1264550564.db2.gz KZINJWIYIBWCBZ-KRWDZBQOSA-N 2 2 367.453 0.901 20 0 FCADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)[nH+]1 ZINC001324299467 1264614084 /nfs/dbraw/zinc/61/40/84/1264614084.db2.gz TVKTUFAKJUXESC-MRXNPFEDSA-N 2 2 359.474 0.990 20 0 FCADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N2CCC(C(N)=O)CC2)[nH+]1 ZINC001324299467 1264614094 /nfs/dbraw/zinc/61/40/94/1264614094.db2.gz TVKTUFAKJUXESC-MRXNPFEDSA-N 2 2 359.474 0.990 20 0 FCADLP CN(C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324884000 1264726782 /nfs/dbraw/zinc/72/67/82/1264726782.db2.gz ZYJIIAWIGYEWEI-ZACQAIPSSA-N 2 2 362.518 0.728 20 0 FCADLP CN(C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324884000 1264726793 /nfs/dbraw/zinc/72/67/93/1264726793.db2.gz ZYJIIAWIGYEWEI-ZACQAIPSSA-N 2 2 362.518 0.728 20 0 FCADLP CN(C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324883998 1264727168 /nfs/dbraw/zinc/72/71/68/1264727168.db2.gz ZYJIIAWIGYEWEI-YESZJQIVSA-N 2 2 362.518 0.728 20 0 FCADLP CN(C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324883998 1264727181 /nfs/dbraw/zinc/72/71/81/1264727181.db2.gz ZYJIIAWIGYEWEI-YESZJQIVSA-N 2 2 362.518 0.728 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325338302 1264850827 /nfs/dbraw/zinc/85/08/27/1264850827.db2.gz JLGCCARIACGSCG-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325338302 1264850841 /nfs/dbraw/zinc/85/08/41/1264850841.db2.gz JLGCCARIACGSCG-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC001326277401 1265091475 /nfs/dbraw/zinc/09/14/75/1265091475.db2.gz LSIISKSKUYUNNF-HIFRSBDPSA-N 2 2 358.446 0.103 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC001326277401 1265091479 /nfs/dbraw/zinc/09/14/79/1265091479.db2.gz LSIISKSKUYUNNF-HIFRSBDPSA-N 2 2 358.446 0.103 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001326369390 1265100937 /nfs/dbraw/zinc/10/09/37/1265100937.db2.gz HBTKMKXZOFODMX-GOSISDBHSA-N 2 2 374.485 0.411 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001580408314 1278247978 /nfs/dbraw/zinc/24/79/78/1278247978.db2.gz GKCIGEUGGRXGBE-CYBMUJFWSA-N 2 2 354.418 0.748 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001326969987 1265211308 /nfs/dbraw/zinc/21/13/08/1265211308.db2.gz SKDZVKCJERAFGH-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001326969987 1265211314 /nfs/dbraw/zinc/21/13/14/1265211314.db2.gz SKDZVKCJERAFGH-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001326969987 1265211323 /nfs/dbraw/zinc/21/13/23/1265211323.db2.gz SKDZVKCJERAFGH-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001326969987 1265211334 /nfs/dbraw/zinc/21/13/34/1265211334.db2.gz SKDZVKCJERAFGH-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001327314360 1265282322 /nfs/dbraw/zinc/28/23/22/1265282322.db2.gz ZQGQAVUNZZSBAJ-UHFFFAOYSA-N 2 2 356.430 0.175 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)C2 ZINC001327560791 1265359525 /nfs/dbraw/zinc/35/95/25/1265359525.db2.gz ZFXIMJXRYXDVGZ-INIZCTEOSA-N 2 2 362.474 0.440 20 0 FCADLP CS(=O)(=O)C1(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC001522527440 1266562093 /nfs/dbraw/zinc/56/20/93/1266562093.db2.gz BLMRJOQKJBHSJI-UHFFFAOYSA-N 2 2 366.487 0.651 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC001333425750 1266599386 /nfs/dbraw/zinc/59/93/86/1266599386.db2.gz PHVROVZKDMEVGN-WMZOPIPTSA-N 2 2 374.485 0.387 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC001333766712 1266706546 /nfs/dbraw/zinc/70/65/46/1266706546.db2.gz LQHNXZMFTKVRLQ-JTQLQIEISA-N 2 2 351.432 0.400 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001527038896 1266864074 /nfs/dbraw/zinc/86/40/74/1266864074.db2.gz SSGIKTFDIKUFBD-QGTPRVQTSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001527038896 1266864091 /nfs/dbraw/zinc/86/40/91/1266864091.db2.gz SSGIKTFDIKUFBD-QGTPRVQTSA-N 2 2 369.469 0.919 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]4C3)CC2)CC1 ZINC001334611604 1267106213 /nfs/dbraw/zinc/10/62/13/1267106213.db2.gz BDDLJNIHUDPHBS-IYBDPMFKSA-N 2 2 362.518 0.920 20 0 FCADLP CC(C)N1C(=O)N[C@@H]2C[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC[C@H]21 ZINC001548393324 1267695236 /nfs/dbraw/zinc/69/52/36/1267695236.db2.gz WDVHWTUYSLOLHW-IAGOWNOFSA-N 2 2 373.505 0.605 20 0 FCADLP CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC[C@H]21 ZINC001548393324 1267695244 /nfs/dbraw/zinc/69/52/44/1267695244.db2.gz WDVHWTUYSLOLHW-IAGOWNOFSA-N 2 2 373.505 0.605 20 0 FCADLP CNC(=O)[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@H]1c1cnn(C)c1 ZINC001548828673 1267760188 /nfs/dbraw/zinc/76/01/88/1267760188.db2.gz GGNZSCWUKZBQPP-LSDHHAIUSA-N 2 2 362.503 0.900 20 0 FCADLP CNC(=O)[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@H]1c1cnn(C)c1 ZINC001548828673 1267760193 /nfs/dbraw/zinc/76/01/93/1267760193.db2.gz GGNZSCWUKZBQPP-LSDHHAIUSA-N 2 2 362.503 0.900 20 0 FCADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@@H+]1C1CC1 ZINC001549120863 1267816735 /nfs/dbraw/zinc/81/67/35/1267816735.db2.gz BMGVWXDBFQUNQK-OXQOHEQNSA-N 2 2 374.533 0.699 20 0 FCADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@H+]1C1CC1 ZINC001549120863 1267816744 /nfs/dbraw/zinc/81/67/44/1267816744.db2.gz BMGVWXDBFQUNQK-OXQOHEQNSA-N 2 2 374.533 0.699 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152940 1267830822 /nfs/dbraw/zinc/83/08/22/1267830822.db2.gz HDJSJYAQKUEONA-CPUCHLNUSA-N 2 2 362.478 0.913 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152940 1267830828 /nfs/dbraw/zinc/83/08/28/1267830828.db2.gz HDJSJYAQKUEONA-CPUCHLNUSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC001549159529 1267838646 /nfs/dbraw/zinc/83/86/46/1267838646.db2.gz YBQVBJWMOLZNET-BBRMVZONSA-N 2 2 362.478 0.913 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549158079 1267838979 /nfs/dbraw/zinc/83/89/79/1267838979.db2.gz FTNVYYFUDQEDDI-YOEHRIQHSA-N 2 2 362.478 0.912 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[NH+]1CCCCC1 ZINC001549158635 1267839051 /nfs/dbraw/zinc/83/90/51/1267839051.db2.gz OLWZAKBBNFMEKN-JKIFEVAISA-N 2 2 362.478 0.913 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549162449 1267840864 /nfs/dbraw/zinc/84/08/64/1267840864.db2.gz NVGFGJUOCWMLKN-KEYYUXOJSA-N 2 2 362.478 0.913 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549162449 1267840883 /nfs/dbraw/zinc/84/08/83/1267840883.db2.gz NVGFGJUOCWMLKN-KEYYUXOJSA-N 2 2 362.478 0.913 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549163134 1267844035 /nfs/dbraw/zinc/84/40/35/1267844035.db2.gz UEBCNHHDFHPCQE-CPUCHLNUSA-N 2 2 362.478 0.866 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549163134 1267844041 /nfs/dbraw/zinc/84/40/41/1267844041.db2.gz UEBCNHHDFHPCQE-CPUCHLNUSA-N 2 2 362.478 0.866 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549163136 1267844532 /nfs/dbraw/zinc/84/45/32/1267844532.db2.gz UEBCNHHDFHPCQE-KEYYUXOJSA-N 2 2 362.478 0.866 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549163136 1267844535 /nfs/dbraw/zinc/84/45/35/1267844535.db2.gz UEBCNHHDFHPCQE-KEYYUXOJSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549176806 1267852955 /nfs/dbraw/zinc/85/29/55/1267852955.db2.gz XBJGJONTXQPXDL-ZDFLXESQSA-N 2 2 360.462 0.510 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549490722 1267926067 /nfs/dbraw/zinc/92/60/67/1267926067.db2.gz HBAKLUUGIQWNHR-IXDOHACOSA-N 2 2 351.491 0.714 20 0 FCADLP CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)CC1 ZINC001550005037 1268044417 /nfs/dbraw/zinc/04/44/17/1268044417.db2.gz RILDLUUTCKDQPO-FHWLQOOXSA-N 2 2 364.534 0.582 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)CC1 ZINC001550006520 1268045575 /nfs/dbraw/zinc/04/55/75/1268045575.db2.gz DXAJFVUDNVPPTB-MOPGFXCFSA-N 2 2 357.502 0.894 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)CC1 ZINC001550006520 1268045586 /nfs/dbraw/zinc/04/55/86/1268045586.db2.gz DXAJFVUDNVPPTB-MOPGFXCFSA-N 2 2 357.502 0.894 20 0 FCADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550116796 1268079354 /nfs/dbraw/zinc/07/93/54/1268079354.db2.gz RVCDWJQJVUJLEP-IRXDYDNUSA-N 2 2 360.506 0.578 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550267892 1268100697 /nfs/dbraw/zinc/10/06/97/1268100697.db2.gz COOPEDKZZMQFBC-YJLNNSPDSA-N 2 2 374.489 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](C2CC2)C1 ZINC001550570609 1268134489 /nfs/dbraw/zinc/13/44/89/1268134489.db2.gz GOQRKSHHFVZDCE-CGTJXYLNSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](C2CC2)C1 ZINC001550570609 1268134492 /nfs/dbraw/zinc/13/44/92/1268134492.db2.gz GOQRKSHHFVZDCE-CGTJXYLNSA-N 2 2 351.491 0.809 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001550653660 1268146247 /nfs/dbraw/zinc/14/62/47/1268146247.db2.gz CECHJIIDRCWJII-MHRLRVJTSA-N 2 2 360.462 0.333 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001550653660 1268146252 /nfs/dbraw/zinc/14/62/52/1268146252.db2.gz CECHJIIDRCWJII-MHRLRVJTSA-N 2 2 360.462 0.333 20 0 FCADLP Cc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC(=O)N[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001550726528 1268156734 /nfs/dbraw/zinc/15/67/34/1268156734.db2.gz HHTDBVPJFRBUSQ-JKSUJKDBSA-N 2 2 372.473 0.362 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C[C@H]21 ZINC001550762943 1268164377 /nfs/dbraw/zinc/16/43/77/1268164377.db2.gz QOUNWBAOQAEREK-ARFHVFGLSA-N 2 2 352.479 0.260 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C[C@H]21 ZINC001550762943 1268164381 /nfs/dbraw/zinc/16/43/81/1268164381.db2.gz QOUNWBAOQAEREK-ARFHVFGLSA-N 2 2 352.479 0.260 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3COCC[C@@H]3[NH3+])C2)c1 ZINC001550760245 1268164535 /nfs/dbraw/zinc/16/45/35/1268164535.db2.gz IFAKZMDLTZPLEQ-SQNIBIBYSA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3COCC[C@@H]3[NH3+])C2)c1 ZINC001550760245 1268164541 /nfs/dbraw/zinc/16/45/41/1268164541.db2.gz IFAKZMDLTZPLEQ-SQNIBIBYSA-N 2 2 362.474 0.611 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCC[C@H]3S(C)(=O)=O)c2)CC1 ZINC001550877597 1268179552 /nfs/dbraw/zinc/17/95/52/1268179552.db2.gz ZFLAGAKPASOACE-LSDHHAIUSA-N 2 2 366.487 0.985 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585306 1268279993 /nfs/dbraw/zinc/27/99/93/1268279993.db2.gz ANJFCMPATIGJQO-MAUKXSAKSA-N 2 2 370.457 0.780 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937521 1268313344 /nfs/dbraw/zinc/31/33/44/1268313344.db2.gz MEOLLCSJCREOBC-SOUVJXGZSA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937521 1268313354 /nfs/dbraw/zinc/31/33/54/1268313354.db2.gz MEOLLCSJCREOBC-SOUVJXGZSA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937521 1268313365 /nfs/dbraw/zinc/31/33/65/1268313365.db2.gz MEOLLCSJCREOBC-SOUVJXGZSA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937521 1268313378 /nfs/dbraw/zinc/31/33/78/1268313378.db2.gz MEOLLCSJCREOBC-SOUVJXGZSA-N 2 2 362.478 0.204 20 0 FCADLP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001339790138 1268330628 /nfs/dbraw/zinc/33/06/28/1268330628.db2.gz RILKGNLVYLOCRN-LBPRGKRZSA-N 2 2 362.459 0.684 20 0 FCADLP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001339791627 1268331748 /nfs/dbraw/zinc/33/17/48/1268331748.db2.gz ZDSHIDPQHXETFA-OAHLLOKOSA-N 2 2 374.420 0.762 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C ZINC001339947018 1268381115 /nfs/dbraw/zinc/38/11/15/1268381115.db2.gz UKAWPEVQAJUSFF-INIZCTEOSA-N 2 2 374.493 0.736 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@@H]1C ZINC001340052773 1268418536 /nfs/dbraw/zinc/41/85/36/1268418536.db2.gz BZUPWPDYUPBUBV-XEZPLFJOSA-N 2 2 374.493 0.877 20 0 FCADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@@H]1C ZINC001340052773 1268418539 /nfs/dbraw/zinc/41/85/39/1268418539.db2.gz BZUPWPDYUPBUBV-XEZPLFJOSA-N 2 2 374.493 0.877 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001340204476 1268471318 /nfs/dbraw/zinc/47/13/18/1268471318.db2.gz FSVISJHLRBFACJ-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552693169 1268521576 /nfs/dbraw/zinc/52/15/76/1268521576.db2.gz QKAXJUUBDPLOBJ-HIFRSBDPSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552693169 1268521579 /nfs/dbraw/zinc/52/15/79/1268521579.db2.gz QKAXJUUBDPLOBJ-HIFRSBDPSA-N 2 2 350.467 0.561 20 0 FCADLP C[C@H](NC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)[C@H](C)[NH+]1CCOCC1 ZINC001552693900 1268521897 /nfs/dbraw/zinc/52/18/97/1268521897.db2.gz XOCYCUHVYWDZNB-TTZDDIAXSA-N 2 2 350.467 0.560 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552695855 1268524046 /nfs/dbraw/zinc/52/40/46/1268524046.db2.gz JDZHPYUKUQIOME-DRXUAVOGSA-N 2 2 364.494 0.948 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC001552793982 1268548207 /nfs/dbraw/zinc/54/82/07/1268548207.db2.gz ZTNIMXMEFTWRTR-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC001552793982 1268548212 /nfs/dbraw/zinc/54/82/12/1268548212.db2.gz ZTNIMXMEFTWRTR-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001553125710 1268593003 /nfs/dbraw/zinc/59/30/03/1268593003.db2.gz XHGLPQOIVFMUCB-BRSBDYLESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001553125710 1268593011 /nfs/dbraw/zinc/59/30/11/1268593011.db2.gz XHGLPQOIVFMUCB-BRSBDYLESA-N 2 2 351.491 0.809 20 0 FCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC001553126577 1268593132 /nfs/dbraw/zinc/59/31/32/1268593132.db2.gz DLZJGNGTBMMRLJ-IAGOWNOFSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CC[C@H](C[NH+]3CCOCC3)O1)CC2 ZINC001553126577 1268593134 /nfs/dbraw/zinc/59/31/34/1268593134.db2.gz DLZJGNGTBMMRLJ-IAGOWNOFSA-N 2 2 351.491 0.953 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553403739 1268644572 /nfs/dbraw/zinc/64/45/72/1268644572.db2.gz ALZLEJZLLYVVSB-CEXWTWQISA-N 2 2 372.469 0.809 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)cc2)CC1 ZINC001553403749 1268645992 /nfs/dbraw/zinc/64/59/92/1268645992.db2.gz ALZLEJZLLYVVSB-QYZOEREBSA-N 2 2 372.469 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001553414701 1268647175 /nfs/dbraw/zinc/64/71/75/1268647175.db2.gz RWCDAFSURZZNGS-WRNCNIFXSA-N 2 2 359.470 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001553414701 1268647184 /nfs/dbraw/zinc/64/71/84/1268647184.db2.gz RWCDAFSURZZNGS-WRNCNIFXSA-N 2 2 359.470 0.772 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001340776584 1268653012 /nfs/dbraw/zinc/65/30/12/1268653012.db2.gz KZVVCSQZDBEDRC-HIFRSBDPSA-N 2 2 361.446 0.956 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C[C@H]1F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553546157 1268666624 /nfs/dbraw/zinc/66/66/24/1268666624.db2.gz GEIREFBMOIPTML-HZPDHXFCSA-N 2 2 350.442 0.436 20 0 FCADLP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553548124 1268668473 /nfs/dbraw/zinc/66/84/73/1268668473.db2.gz IILXATFVDUBSBV-QZTJIDSGSA-N 2 2 358.490 0.734 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C(F)(F)F ZINC001340822471 1268669948 /nfs/dbraw/zinc/66/99/48/1268669948.db2.gz JBBHPCJGPOSOGK-SYQHCUMBSA-N 2 2 365.396 0.462 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C12CC(C1)C[NH2+]2 ZINC001340966639 1268728609 /nfs/dbraw/zinc/72/86/09/1268728609.db2.gz JHXGTCYWPUMQEW-XAUUPUKJSA-N 2 2 372.473 0.150 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C12CC(C1)C[NH2+]2 ZINC001340966639 1268728613 /nfs/dbraw/zinc/72/86/13/1268728613.db2.gz JHXGTCYWPUMQEW-XAUUPUKJSA-N 2 2 372.473 0.150 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1 ZINC001554035581 1268745526 /nfs/dbraw/zinc/74/55/26/1268745526.db2.gz HYNFWHULGBCHIJ-RDJZCZTQSA-N 2 2 367.413 0.804 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC001341018408 1268747022 /nfs/dbraw/zinc/74/70/22/1268747022.db2.gz AKDZHEDXLVPQMD-SFHVURJKSA-N 2 2 359.474 0.193 20 0 FCADLP CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001342682185 1269561240 /nfs/dbraw/zinc/56/12/40/1269561240.db2.gz KWCQBMKIAIHADX-INIZCTEOSA-N 2 2 366.510 0.848 20 0 FCADLP CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001342682185 1269561251 /nfs/dbraw/zinc/56/12/51/1269561251.db2.gz KWCQBMKIAIHADX-INIZCTEOSA-N 2 2 366.510 0.848 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053011 1269587084 /nfs/dbraw/zinc/58/70/84/1269587084.db2.gz RBIXXKHXGRFXDO-HLLBOEOZSA-N 2 2 350.463 0.140 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053011 1269587086 /nfs/dbraw/zinc/58/70/86/1269587086.db2.gz RBIXXKHXGRFXDO-HLLBOEOZSA-N 2 2 350.463 0.140 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001343824000 1270021598 /nfs/dbraw/zinc/02/15/98/1270021598.db2.gz VKDOTTRXTOCGIQ-MRXNPFEDSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001343824000 1270021607 /nfs/dbraw/zinc/02/16/07/1270021607.db2.gz VKDOTTRXTOCGIQ-MRXNPFEDSA-N 2 2 370.457 0.404 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCCCn3cc[nH+]c3)n2)CC1 ZINC001344003517 1270072703 /nfs/dbraw/zinc/07/27/03/1270072703.db2.gz STJAWKGLDOQKIE-UHFFFAOYSA-N 2 2 373.461 0.881 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC001580635375 1278597025 /nfs/dbraw/zinc/59/70/25/1278597025.db2.gz NQLYYTCEOOTDNE-GOSISDBHSA-N 2 2 359.470 0.871 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1[NH2+]CCc2ccccc21 ZINC001580635376 1278598921 /nfs/dbraw/zinc/59/89/21/1278598921.db2.gz NQLYYTCEOOTDNE-SFHVURJKSA-N 2 2 359.470 0.871 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259875 1271129369 /nfs/dbraw/zinc/12/93/69/1271129369.db2.gz BKGJCTDURRGKGZ-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259875 1271129376 /nfs/dbraw/zinc/12/93/76/1271129376.db2.gz BKGJCTDURRGKGZ-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259875 1271129377 /nfs/dbraw/zinc/12/93/77/1271129377.db2.gz BKGJCTDURRGKGZ-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001574259875 1271129382 /nfs/dbraw/zinc/12/93/82/1271129382.db2.gz BKGJCTDURRGKGZ-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574260851 1271133347 /nfs/dbraw/zinc/13/33/47/1271133347.db2.gz ZIGYOBBOGSLDRW-UHFFFAOYSA-N 2 2 372.477 0.935 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001574260851 1271133351 /nfs/dbraw/zinc/13/33/51/1271133351.db2.gz ZIGYOBBOGSLDRW-UHFFFAOYSA-N 2 2 372.477 0.935 20 0 FCADLP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574601817 1271404778 /nfs/dbraw/zinc/40/47/78/1271404778.db2.gz IYJNHDZEWBGRSZ-OLZOCXBDSA-N 2 2 369.433 0.838 20 0 FCADLP C[C@H](CCNC(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574606210 1271413144 /nfs/dbraw/zinc/41/31/44/1271413144.db2.gz FPWLPPCDGZCKFE-CYBMUJFWSA-N 2 2 369.433 0.667 20 0 FCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574612206 1271418786 /nfs/dbraw/zinc/41/87/86/1271418786.db2.gz FLRZKXKXQWMVKI-LLVKDONJSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001574671157 1271473653 /nfs/dbraw/zinc/47/36/53/1271473653.db2.gz KKYMGQNDUZSQFJ-CHWSQXEVSA-N 2 2 369.433 0.838 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574781978 1271515626 /nfs/dbraw/zinc/51/56/26/1271515626.db2.gz RALULAZXHFBEFM-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574781978 1271515637 /nfs/dbraw/zinc/51/56/37/1271515637.db2.gz RALULAZXHFBEFM-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CCCC1 ZINC001574781893 1271517176 /nfs/dbraw/zinc/51/71/76/1271517176.db2.gz PKQIGXYJFRPBIR-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CCCC1 ZINC001574781893 1271517182 /nfs/dbraw/zinc/51/71/82/1271517182.db2.gz PKQIGXYJFRPBIR-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574785763 1271519604 /nfs/dbraw/zinc/51/96/04/1271519604.db2.gz MGJJIEWOFDQDOM-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574785763 1271519609 /nfs/dbraw/zinc/51/96/09/1271519609.db2.gz MGJJIEWOFDQDOM-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCn1cc[nH+]c1 ZINC001574803685 1271541429 /nfs/dbraw/zinc/54/14/29/1271541429.db2.gz GLAYEAHJGGECMR-ZDUSSCGKSA-N 2 2 369.433 0.880 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@@H+]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001575172693 1271763760 /nfs/dbraw/zinc/76/37/60/1271763760.db2.gz OBDJQCVHBVRPFJ-MAUKXSAKSA-N 2 2 357.495 0.780 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001575172693 1271763764 /nfs/dbraw/zinc/76/37/64/1271763764.db2.gz OBDJQCVHBVRPFJ-MAUKXSAKSA-N 2 2 357.495 0.780 20 0 FCADLP CC(C)(C)OC(=O)NC1(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001575212010 1271794703 /nfs/dbraw/zinc/79/47/03/1271794703.db2.gz FCOXSWZRWQKDGB-UHFFFAOYSA-N 2 2 355.483 0.766 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575378229 1272021077 /nfs/dbraw/zinc/02/10/77/1272021077.db2.gz FQHAMZLAZGRRKU-NWDGAFQWSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575386027 1272030594 /nfs/dbraw/zinc/03/05/94/1272030594.db2.gz QGEVAAHGTOBAMX-VXGBXAGGSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575386025 1272031642 /nfs/dbraw/zinc/03/16/42/1272031642.db2.gz QGEVAAHGTOBAMX-RYUDHWBXSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575398778 1272047549 /nfs/dbraw/zinc/04/75/49/1272047549.db2.gz FMWSLEPNLJDZLH-RYUDHWBXSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575401470 1272051105 /nfs/dbraw/zinc/05/11/05/1272051105.db2.gz QMSSJJXCDWBSPZ-CHWSQXEVSA-N 2 2 368.445 0.826 20 0 FCADLP C[C@@]1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001575797203 1272446190 /nfs/dbraw/zinc/44/61/90/1272446190.db2.gz JPRCXHDEPMHKQI-KRWDZBQOSA-N 2 2 367.417 0.231 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575819847 1272478877 /nfs/dbraw/zinc/47/88/77/1272478877.db2.gz XPAOCQZTRGNLFV-SFHVURJKSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575819847 1272478882 /nfs/dbraw/zinc/47/88/82/1272478882.db2.gz XPAOCQZTRGNLFV-SFHVURJKSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576017522 1272717787 /nfs/dbraw/zinc/71/77/87/1272717787.db2.gz AHRQUMLNJNPEKC-WFASDCNBSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576019821 1272718667 /nfs/dbraw/zinc/71/86/67/1272718667.db2.gz QHCASAQXLGTLJM-RYUDHWBXSA-N 2 2 372.458 0.904 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020667 1272721879 /nfs/dbraw/zinc/72/18/79/1272721879.db2.gz GKDMYMYVDONTPA-DZGCQCFKSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2cnn[nH]2)CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576024218 1272726299 /nfs/dbraw/zinc/72/62/99/1272726299.db2.gz FEPGIWGDHMUYQA-SWLSCSKDSA-N 2 2 359.434 0.781 20 0 FCADLP C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001576029632 1272735637 /nfs/dbraw/zinc/73/56/37/1272735637.db2.gz OYUVNLZZJKYYER-ZDUSSCGKSA-N 2 2 357.499 0.964 20 0 FCADLP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001576044285 1272768537 /nfs/dbraw/zinc/76/85/37/1272768537.db2.gz HEDGOYQNCKTISS-QWHCGFSZSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062106 1272811021 /nfs/dbraw/zinc/81/10/21/1272811021.db2.gz YLMUKKBHAFZOCO-WBVHZDCISA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062106 1272811034 /nfs/dbraw/zinc/81/10/34/1272811034.db2.gz YLMUKKBHAFZOCO-WBVHZDCISA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063792 1272813048 /nfs/dbraw/zinc/81/30/48/1272813048.db2.gz FQMVBDWSXUWVLG-HZPDHXFCSA-N 2 2 371.489 0.522 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125004 1272920987 /nfs/dbraw/zinc/92/09/87/1272920987.db2.gz RNLVNMFPZFSXDY-CRAIPNDOSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125004 1272920992 /nfs/dbraw/zinc/92/09/92/1272920992.db2.gz RNLVNMFPZFSXDY-CRAIPNDOSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125004 1272920997 /nfs/dbraw/zinc/92/09/97/1272920997.db2.gz RNLVNMFPZFSXDY-CRAIPNDOSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125004 1272921001 /nfs/dbraw/zinc/92/10/01/1272921001.db2.gz RNLVNMFPZFSXDY-CRAIPNDOSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576270512 1273069904 /nfs/dbraw/zinc/06/99/04/1273069904.db2.gz JVOLBZSUXZJERQ-CJNGLKHVSA-N 2 2 366.429 0.700 20 0 FCADLP CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1[NH2+]Cc1cnn[nH]1 ZINC001576321982 1273131578 /nfs/dbraw/zinc/13/15/78/1273131578.db2.gz TUJJSJPNDYQFQO-GDBMZVCRSA-N 2 2 350.467 0.244 20 0 FCADLP CC[C@@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1)[NH+](C)C ZINC001576499860 1273362445 /nfs/dbraw/zinc/36/24/45/1273362445.db2.gz OFGGWZDUFVWDOG-AWEZNQCLSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576557665 1273437700 /nfs/dbraw/zinc/43/77/00/1273437700.db2.gz SNQFUGQJFJAHHZ-INIZCTEOSA-N 2 2 364.494 0.429 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576557665 1273437708 /nfs/dbraw/zinc/43/77/08/1273437708.db2.gz SNQFUGQJFJAHHZ-INIZCTEOSA-N 2 2 364.494 0.429 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576557665 1273437712 /nfs/dbraw/zinc/43/77/12/1273437712.db2.gz SNQFUGQJFJAHHZ-INIZCTEOSA-N 2 2 364.494 0.429 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576557665 1273437715 /nfs/dbraw/zinc/43/77/15/1273437715.db2.gz SNQFUGQJFJAHHZ-INIZCTEOSA-N 2 2 364.494 0.429 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC001576586066 1273466383 /nfs/dbraw/zinc/46/63/83/1273466383.db2.gz LTJSKPXYNQDEKK-NVXWUHKLSA-N 2 2 364.494 0.490 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC001576586066 1273466386 /nfs/dbraw/zinc/46/63/86/1273466386.db2.gz LTJSKPXYNQDEKK-NVXWUHKLSA-N 2 2 364.494 0.490 20 0 FCADLP C[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@H]1C[NH3+] ZINC001576700810 1273567523 /nfs/dbraw/zinc/56/75/23/1273567523.db2.gz WGEFHJCBTIQXPW-HLLBOEOZSA-N 2 2 356.536 0.963 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCOCC2)C1 ZINC001576748215 1273619184 /nfs/dbraw/zinc/61/91/84/1273619184.db2.gz VGTYTVFBTKKFPU-GDBMZVCRSA-N 2 2 364.494 0.680 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCOCC2)C1 ZINC001576748215 1273619195 /nfs/dbraw/zinc/61/91/95/1273619195.db2.gz VGTYTVFBTKKFPU-GDBMZVCRSA-N 2 2 364.494 0.680 20 0 FCADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576812516 1273726945 /nfs/dbraw/zinc/72/69/45/1273726945.db2.gz LJZQZGWKBXIQAF-GFCCVEGCSA-N 2 2 369.433 0.357 20 0 FCADLP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576825295 1273749304 /nfs/dbraw/zinc/74/93/04/1273749304.db2.gz VGMSVRRKCZKEIA-LBPRGKRZSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576825295 1273749306 /nfs/dbraw/zinc/74/93/06/1273749306.db2.gz VGMSVRRKCZKEIA-LBPRGKRZSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576836889 1273772076 /nfs/dbraw/zinc/77/20/76/1273772076.db2.gz WPENZABTPMWBRI-AWEZNQCLSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001576855199 1273808905 /nfs/dbraw/zinc/80/89/05/1273808905.db2.gz SOVQGOCXLCEWQF-OIISXLGYSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001576855199 1273808912 /nfs/dbraw/zinc/80/89/12/1273808912.db2.gz SOVQGOCXLCEWQF-OIISXLGYSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001576861274 1273824253 /nfs/dbraw/zinc/82/42/53/1273824253.db2.gz POSYRVHTUQVCCD-PMPSAXMXSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001576861274 1273824261 /nfs/dbraw/zinc/82/42/61/1273824261.db2.gz POSYRVHTUQVCCD-PMPSAXMXSA-N 2 2 364.494 0.430 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901752 1273905802 /nfs/dbraw/zinc/90/58/02/1273905802.db2.gz BDTZAEFXUJOWQI-NVXWUHKLSA-N 2 2 350.467 0.122 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901752 1273905804 /nfs/dbraw/zinc/90/58/04/1273905804.db2.gz BDTZAEFXUJOWQI-NVXWUHKLSA-N 2 2 350.467 0.122 20 0 FCADLP CCC[C@H]1CN(C(=O)Nc2cc3n(n2)CC[NH2+]C3)CC[N@@H+]1CCOC ZINC001577377235 1274383436 /nfs/dbraw/zinc/38/34/36/1274383436.db2.gz JTLUXIGZBACKCQ-AWEZNQCLSA-N 2 2 350.467 0.951 20 0 FCADLP CCC[C@H]1CN(C(=O)Nc2cc3n(n2)CC[NH2+]C3)CC[N@H+]1CCOC ZINC001577377235 1274383443 /nfs/dbraw/zinc/38/34/43/1274383443.db2.gz JTLUXIGZBACKCQ-AWEZNQCLSA-N 2 2 350.467 0.951 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577550509 1274488884 /nfs/dbraw/zinc/48/88/84/1274488884.db2.gz JEIIZVHWVWIWMP-UHFFFAOYSA-N 2 2 372.477 0.818 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCC(C)(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577550509 1274488889 /nfs/dbraw/zinc/48/88/89/1274488889.db2.gz JEIIZVHWVWIWMP-UHFFFAOYSA-N 2 2 372.477 0.818 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+](CCc3cn[nH]n3)CC1)CC2 ZINC001577572523 1274535302 /nfs/dbraw/zinc/53/53/02/1274535302.db2.gz XUYFZFGVSAJTFZ-AWEZNQCLSA-N 2 2 357.462 0.695 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+](CCc3c[nH]nn3)CC1)CC2 ZINC001577572523 1274535307 /nfs/dbraw/zinc/53/53/07/1274535307.db2.gz XUYFZFGVSAJTFZ-AWEZNQCLSA-N 2 2 357.462 0.695 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC001577577718 1274544375 /nfs/dbraw/zinc/54/43/75/1274544375.db2.gz DBMXSECCTIDFFN-DOTOQJQBSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC001577577718 1274544377 /nfs/dbraw/zinc/54/43/77/1274544377.db2.gz DBMXSECCTIDFFN-DOTOQJQBSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC001577577718 1274544380 /nfs/dbraw/zinc/54/43/80/1274544380.db2.gz DBMXSECCTIDFFN-DOTOQJQBSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC001577577718 1274544382 /nfs/dbraw/zinc/54/43/82/1274544382.db2.gz DBMXSECCTIDFFN-DOTOQJQBSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC001577577719 1274544565 /nfs/dbraw/zinc/54/45/65/1274544565.db2.gz DBMXSECCTIDFFN-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CC[C@H]21 ZINC001577577719 1274544568 /nfs/dbraw/zinc/54/45/68/1274544568.db2.gz DBMXSECCTIDFFN-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC001577577719 1274544570 /nfs/dbraw/zinc/54/45/70/1274544570.db2.gz DBMXSECCTIDFFN-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CC[C@H]21 ZINC001577577719 1274544574 /nfs/dbraw/zinc/54/45/74/1274544574.db2.gz DBMXSECCTIDFFN-NVXWUHKLSA-N 2 2 357.462 0.865 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577804801 1274907803 /nfs/dbraw/zinc/90/78/03/1274907803.db2.gz DUIWGVLKFFPGCK-INIZCTEOSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC001577804801 1274907810 /nfs/dbraw/zinc/90/78/10/1274907810.db2.gz DUIWGVLKFFPGCK-INIZCTEOSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577804801 1274907819 /nfs/dbraw/zinc/90/78/19/1274907819.db2.gz DUIWGVLKFFPGCK-INIZCTEOSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001577805329 1274911423 /nfs/dbraw/zinc/91/14/23/1274911423.db2.gz MOSWIXKNJZQOOK-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577805329 1274911429 /nfs/dbraw/zinc/91/14/29/1274911429.db2.gz MOSWIXKNJZQOOK-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001577805329 1274911437 /nfs/dbraw/zinc/91/14/37/1274911437.db2.gz MOSWIXKNJZQOOK-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577805329 1274911445 /nfs/dbraw/zinc/91/14/45/1274911445.db2.gz MOSWIXKNJZQOOK-KRWDZBQOSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1cn[nH]n1 ZINC001577872857 1275064384 /nfs/dbraw/zinc/06/43/84/1275064384.db2.gz OJCBBPJVQTVMBT-DLBZAZTESA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCc1cn[nH]n1 ZINC001577872857 1275064391 /nfs/dbraw/zinc/06/43/91/1275064391.db2.gz OJCBBPJVQTVMBT-DLBZAZTESA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1c[nH]nn1 ZINC001577872857 1275064402 /nfs/dbraw/zinc/06/44/02/1275064402.db2.gz OJCBBPJVQTVMBT-DLBZAZTESA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCc1c[nH]nn1 ZINC001577872857 1275064412 /nfs/dbraw/zinc/06/44/12/1275064412.db2.gz OJCBBPJVQTVMBT-DLBZAZTESA-N 2 2 362.478 0.135 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882437 1275082328 /nfs/dbraw/zinc/08/23/28/1275082328.db2.gz CWYNBADVJCHGNG-AWEZNQCLSA-N 2 2 372.477 0.888 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577892661 1275102801 /nfs/dbraw/zinc/10/28/01/1275102801.db2.gz QXWPRRRKKSHYDI-XMQYKBBCSA-N 2 2 370.461 0.402 20 0 FCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578037300 1275316964 /nfs/dbraw/zinc/31/69/64/1275316964.db2.gz FSAWFWUGTYOOJM-UHFFFAOYSA-N 2 2 360.447 0.763 20 0 FCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001578037300 1275316967 /nfs/dbraw/zinc/31/69/67/1275316967.db2.gz FSAWFWUGTYOOJM-UHFFFAOYSA-N 2 2 360.447 0.763 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC001578041990 1275327783 /nfs/dbraw/zinc/32/77/83/1275327783.db2.gz JIKBCMPFZWRARP-CQSZACIVSA-N 2 2 352.402 0.780 20 0 FCADLP CCN(CCNC(=O)Cn1cc[nH+]c1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578045722 1275334453 /nfs/dbraw/zinc/33/44/53/1275334453.db2.gz PAQUDCHUUIOXKM-UHFFFAOYSA-N 2 2 369.433 0.718 20 0 FCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC001578155513 1275455858 /nfs/dbraw/zinc/45/58/58/1275455858.db2.gz OUNXSGPHRGMFLC-GVDBMIGSSA-N 2 2 361.490 0.414 20 0 FCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC001578155513 1275455861 /nfs/dbraw/zinc/45/58/61/1275455861.db2.gz OUNXSGPHRGMFLC-GVDBMIGSSA-N 2 2 361.490 0.414 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578221089 1275519273 /nfs/dbraw/zinc/51/92/73/1275519273.db2.gz KZMHIEJICHFHEE-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578221089 1275519280 /nfs/dbraw/zinc/51/92/80/1275519280.db2.gz KZMHIEJICHFHEE-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578420041 1275789264 /nfs/dbraw/zinc/78/92/64/1275789264.db2.gz UPAPKHFJZXEKEI-JSGCOSHPSA-N 2 2 358.450 0.544 20 0 FCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)CC1 ZINC001578532524 1275963371 /nfs/dbraw/zinc/96/33/71/1275963371.db2.gz KGCPAOXJPQYTJH-QGZVFWFLSA-N 2 2 359.474 0.068 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578882948 1276414158 /nfs/dbraw/zinc/41/41/58/1276414158.db2.gz KETQQJQMFGRBIB-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578882948 1276414160 /nfs/dbraw/zinc/41/41/60/1276414160.db2.gz KETQQJQMFGRBIB-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578887190 1276422292 /nfs/dbraw/zinc/42/22/92/1276422292.db2.gz WXRVQDOQBGUBRL-OAHLLOKOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578887190 1276422303 /nfs/dbraw/zinc/42/23/03/1276422303.db2.gz WXRVQDOQBGUBRL-OAHLLOKOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578887180 1276423023 /nfs/dbraw/zinc/42/30/23/1276423023.db2.gz WSGOQAHBITYTKE-UHFFFAOYSA-N 2 2 366.429 0.842 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578975925 1276525726 /nfs/dbraw/zinc/52/57/26/1276525726.db2.gz KLXZQPGLSNCTOY-GJZGRUSLSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578975925 1276525732 /nfs/dbraw/zinc/52/57/32/1276525732.db2.gz KLXZQPGLSNCTOY-GJZGRUSLSA-N 2 2 373.436 0.743 20 0 FCADLP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579003974 1276575738 /nfs/dbraw/zinc/57/57/38/1276575738.db2.gz JRKLNAISQGSZLK-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579003974 1276575748 /nfs/dbraw/zinc/57/57/48/1276575748.db2.gz JRKLNAISQGSZLK-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP COCCOc1cc(OC)ccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001579061350 1276668099 /nfs/dbraw/zinc/66/80/99/1276668099.db2.gz HGIWGRXPSFHSRO-UHFFFAOYSA-N 2 2 351.447 0.873 20 0 FCADLP CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070075 1276679997 /nfs/dbraw/zinc/67/99/97/1276679997.db2.gz NNTNSPUFZJKPJL-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070075 1276680003 /nfs/dbraw/zinc/68/00/03/1276680003.db2.gz NNTNSPUFZJKPJL-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[NH+]1C ZINC001579133564 1276831573 /nfs/dbraw/zinc/83/15/73/1276831573.db2.gz YVEDFFBWMDGVMD-CYBMUJFWSA-N 2 2 363.491 0.913 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[NH+]1C ZINC001579133564 1276831595 /nfs/dbraw/zinc/83/15/95/1276831595.db2.gz YVEDFFBWMDGVMD-CYBMUJFWSA-N 2 2 363.491 0.913 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579133564 1276831616 /nfs/dbraw/zinc/83/16/16/1276831616.db2.gz YVEDFFBWMDGVMD-CYBMUJFWSA-N 2 2 363.491 0.913 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579133564 1276831636 /nfs/dbraw/zinc/83/16/36/1276831636.db2.gz YVEDFFBWMDGVMD-CYBMUJFWSA-N 2 2 363.491 0.913 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579133903 1276833108 /nfs/dbraw/zinc/83/31/08/1276833108.db2.gz DNJBKNLSGPJZSJ-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579133903 1276833126 /nfs/dbraw/zinc/83/31/26/1276833126.db2.gz DNJBKNLSGPJZSJ-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCCn1cc[nH+]c1 ZINC001579214748 1277009887 /nfs/dbraw/zinc/00/98/87/1277009887.db2.gz OABNUXLNBUBQSH-UHFFFAOYSA-N 2 2 355.406 0.231 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001579234256 1277040892 /nfs/dbraw/zinc/04/08/92/1277040892.db2.gz YOIIMFMUIQMFSF-LSPIHWNJSA-N 2 2 359.474 0.438 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579246087 1277046050 /nfs/dbraw/zinc/04/60/50/1277046050.db2.gz AJRKYLGKUAAHIT-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579246087 1277046055 /nfs/dbraw/zinc/04/60/55/1277046055.db2.gz AJRKYLGKUAAHIT-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579318787 1277135338 /nfs/dbraw/zinc/13/53/38/1277135338.db2.gz AKMFQFXSHDVFPU-CYBMUJFWSA-N 2 2 373.461 0.666 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579330169 1277160122 /nfs/dbraw/zinc/16/01/22/1277160122.db2.gz YXIUAYMTMJLPTE-INIZCTEOSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579330169 1277160125 /nfs/dbraw/zinc/16/01/25/1277160125.db2.gz YXIUAYMTMJLPTE-INIZCTEOSA-N 2 2 355.446 0.463 20 0 FCADLP C[NH+]1CCC(C(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001579334285 1277170759 /nfs/dbraw/zinc/17/07/59/1277170759.db2.gz VUURDFXCHUODTN-UHFFFAOYSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579342655 1277190571 /nfs/dbraw/zinc/19/05/71/1277190571.db2.gz BCEKRTZUCUEANP-AWEZNQCLSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001579342655 1277190574 /nfs/dbraw/zinc/19/05/74/1277190574.db2.gz BCEKRTZUCUEANP-AWEZNQCLSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579358356 1277226323 /nfs/dbraw/zinc/22/63/23/1277226323.db2.gz CLJCKQORWLPCSD-CYBMUJFWSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579358356 1277226326 /nfs/dbraw/zinc/22/63/26/1277226326.db2.gz CLJCKQORWLPCSD-CYBMUJFWSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358839 1277229985 /nfs/dbraw/zinc/22/99/85/1277229985.db2.gz KNABKXJBIHNITO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358839 1277230006 /nfs/dbraw/zinc/23/00/06/1277230006.db2.gz KNABKXJBIHNITO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358839 1277230013 /nfs/dbraw/zinc/23/00/13/1277230013.db2.gz KNABKXJBIHNITO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579358839 1277230016 /nfs/dbraw/zinc/23/00/16/1277230016.db2.gz KNABKXJBIHNITO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359350 1277230876 /nfs/dbraw/zinc/23/08/76/1277230876.db2.gz SWQNDLCFXLQGLY-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359350 1277230880 /nfs/dbraw/zinc/23/08/80/1277230880.db2.gz SWQNDLCFXLQGLY-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359350 1277230884 /nfs/dbraw/zinc/23/08/84/1277230884.db2.gz SWQNDLCFXLQGLY-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359350 1277230891 /nfs/dbraw/zinc/23/08/91/1277230891.db2.gz SWQNDLCFXLQGLY-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360206 1277233135 /nfs/dbraw/zinc/23/31/35/1277233135.db2.gz HBYWDLBVFFJIRP-OYNZBZHQSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360206 1277233137 /nfs/dbraw/zinc/23/31/37/1277233137.db2.gz HBYWDLBVFFJIRP-OYNZBZHQSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359989 1277233470 /nfs/dbraw/zinc/23/34/70/1277233470.db2.gz GWZFXBRCLWGQIQ-XEZPLFJOSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359989 1277233471 /nfs/dbraw/zinc/23/34/71/1277233471.db2.gz GWZFXBRCLWGQIQ-XEZPLFJOSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360996 1277235920 /nfs/dbraw/zinc/23/59/20/1277235920.db2.gz LJBNEQSUGFXLIO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360996 1277235924 /nfs/dbraw/zinc/23/59/24/1277235924.db2.gz LJBNEQSUGFXLIO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360996 1277235926 /nfs/dbraw/zinc/23/59/26/1277235926.db2.gz LJBNEQSUGFXLIO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360996 1277235927 /nfs/dbraw/zinc/23/59/27/1277235927.db2.gz LJBNEQSUGFXLIO-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361477 1277238850 /nfs/dbraw/zinc/23/88/50/1277238850.db2.gz LJKXAJIRRVTWRC-ZUEPYMLJSA-N 2 2 370.461 0.569 20 0 FCADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361477 1277238854 /nfs/dbraw/zinc/23/88/54/1277238854.db2.gz LJKXAJIRRVTWRC-ZUEPYMLJSA-N 2 2 370.461 0.569 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366614 1277248169 /nfs/dbraw/zinc/24/81/69/1277248169.db2.gz ZJSRIHOGTVIKPX-IUODEOHRSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366614 1277248171 /nfs/dbraw/zinc/24/81/71/1277248171.db2.gz ZJSRIHOGTVIKPX-IUODEOHRSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372170 1277253697 /nfs/dbraw/zinc/25/36/97/1277253697.db2.gz VMEWMIWEQWOSER-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372170 1277253701 /nfs/dbraw/zinc/25/37/01/1277253701.db2.gz VMEWMIWEQWOSER-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372170 1277253704 /nfs/dbraw/zinc/25/37/04/1277253704.db2.gz VMEWMIWEQWOSER-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372170 1277253716 /nfs/dbraw/zinc/25/37/16/1277253716.db2.gz VMEWMIWEQWOSER-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[C@@H]([NH3+])Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001579406609 1277288803 /nfs/dbraw/zinc/28/88/03/1277288803.db2.gz SUKZJSHZMAZPJI-OAHLLOKOSA-N 2 2 359.478 0.380 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](CCN1CCCC1=O)C1CC1 ZINC001713562669 1287287035 /nfs/dbraw/zinc/28/70/35/1287287035.db2.gz ICGMYUYUVCOIMU-HZPDHXFCSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](CCN1CCCC1=O)C1CC1 ZINC001713562669 1287287039 /nfs/dbraw/zinc/28/70/39/1287287039.db2.gz ICGMYUYUVCOIMU-HZPDHXFCSA-N 2 2 359.474 0.727 20 0 FCADLP Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[NH+]3CCC([NH3+])CC3)C2)n1 ZINC001579766041 1277889279 /nfs/dbraw/zinc/88/92/79/1277889279.db2.gz GCUVBWJSLGGVLP-HNNXBMFYSA-N 2 2 359.474 0.990 20 0 FCADLP Cc1nc(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)no1 ZINC001579858921 1277938635 /nfs/dbraw/zinc/93/86/35/1277938635.db2.gz XHZJONDKCUCAOX-OKILXGFUSA-N 2 2 355.464 0.108 20 0 FCADLP Cc1nc(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)no1 ZINC001579858921 1277938641 /nfs/dbraw/zinc/93/86/41/1277938641.db2.gz XHZJONDKCUCAOX-OKILXGFUSA-N 2 2 355.464 0.108 20 0 FCADLP Cn1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCCC2)nn1 ZINC001714141139 1287314647 /nfs/dbraw/zinc/31/46/47/1287314647.db2.gz IIQTUBNXTWBCES-HUUCEWRRSA-N 2 2 357.462 0.871 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)CCn1cc[nH+]c1 ZINC001580273957 1278067063 /nfs/dbraw/zinc/06/70/63/1278067063.db2.gz IPOWPMOKAYKERP-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP Cc1cc(N(C)CCNC(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949349 1279154851 /nfs/dbraw/zinc/15/48/51/1279154851.db2.gz VVULBXVFTJJOGD-UHFFFAOYSA-N 2 2 369.433 0.799 20 0 FCADLP Cc1cc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970892 1279171161 /nfs/dbraw/zinc/17/11/61/1279171161.db2.gz JNKYJXLIRHCVMQ-TZMCWYRMSA-N 2 2 370.461 0.464 20 0 FCADLP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987215 1279184414 /nfs/dbraw/zinc/18/44/14/1279184414.db2.gz ACJLLUUEXBSNKO-CHWSQXEVSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580990433 1279191723 /nfs/dbraw/zinc/19/17/23/1279191723.db2.gz QOZDGSXMPUYVLO-MNOVXSKESA-N 2 2 369.433 0.571 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580990434 1279192184 /nfs/dbraw/zinc/19/21/84/1279192184.db2.gz QOZDGSXMPUYVLO-QWRGUYRKSA-N 2 2 369.433 0.571 20 0 FCADLP Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002687 1279219478 /nfs/dbraw/zinc/21/94/78/1279219478.db2.gz VFHCOYJQCZFNTF-WCQYABFASA-N 2 2 367.417 0.359 20 0 FCADLP Cc1cc(NC[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016014 1279243726 /nfs/dbraw/zinc/24/37/26/1279243726.db2.gz GODZCMDRKSFQHZ-HNNXBMFYSA-N 2 2 367.417 0.195 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001715604706 1287358637 /nfs/dbraw/zinc/35/86/37/1287358637.db2.gz YEOMPDGLBFMDAY-KZNAEPCWSA-N 2 2 370.453 0.821 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337821 1279714780 /nfs/dbraw/zinc/71/47/80/1279714780.db2.gz KCHHYGVCCAINHH-CYBMUJFWSA-N 2 2 367.417 0.504 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001581338412 1279717191 /nfs/dbraw/zinc/71/71/91/1279717191.db2.gz JIPBVZCGKZJZMY-NSHDSACASA-N 2 2 372.408 0.805 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001581340066 1279721362 /nfs/dbraw/zinc/72/13/62/1279721362.db2.gz NFPXHYKUETZMPV-UHFFFAOYSA-N 2 2 372.458 0.872 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340890 1279725409 /nfs/dbraw/zinc/72/54/09/1279725409.db2.gz WSOFPLKGZFUEFM-NSHDSACASA-N 2 2 355.406 0.195 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001716884335 1287392063 /nfs/dbraw/zinc/39/20/63/1287392063.db2.gz UNQDCMKTUJRLQY-QLFBSQMISA-N 2 2 363.510 0.830 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001716884335 1287392068 /nfs/dbraw/zinc/39/20/68/1287392068.db2.gz UNQDCMKTUJRLQY-QLFBSQMISA-N 2 2 363.510 0.830 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562342 1280137435 /nfs/dbraw/zinc/13/74/35/1280137435.db2.gz QLWZXUIXSNUGPN-NSHDSACASA-N 2 2 355.406 0.148 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581562973 1280140202 /nfs/dbraw/zinc/14/02/02/1280140202.db2.gz HYYMFJJJRBERAH-HNNXBMFYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563521 1280141567 /nfs/dbraw/zinc/14/15/67/1280141567.db2.gz OZIANOFHICQQMW-LLVKDONJSA-N 2 2 355.406 0.195 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530397 1287408794 /nfs/dbraw/zinc/40/87/94/1287408794.db2.gz ZFGHEFYMDQRSED-VXGBXAGGSA-N 2 2 367.417 0.059 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581814228 1280558583 /nfs/dbraw/zinc/55/85/83/1280558583.db2.gz CDJNULVQCQEOMN-CQSZACIVSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581815235 1280560150 /nfs/dbraw/zinc/56/01/50/1280560150.db2.gz ZDGYIBPBROFYFJ-PHIMTYICSA-N 2 2 372.458 0.641 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582089109 1281042327 /nfs/dbraw/zinc/04/23/27/1281042327.db2.gz UJSPRYJGUVMICT-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582089109 1281042331 /nfs/dbraw/zinc/04/23/31/1281042331.db2.gz UJSPRYJGUVMICT-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582089031 1281042625 /nfs/dbraw/zinc/04/26/25/1281042625.db2.gz RMJRBCRRUFTQIY-UHFFFAOYSA-N 2 2 367.417 0.587 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582090177 1281045694 /nfs/dbraw/zinc/04/56/94/1281045694.db2.gz MUSXFJCBWMPBNG-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582090177 1281045698 /nfs/dbraw/zinc/04/56/98/1281045698.db2.gz MUSXFJCBWMPBNG-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582090352 1281047995 /nfs/dbraw/zinc/04/79/95/1281047995.db2.gz POYYRNWOQDPGPZ-UHFFFAOYSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582090588 1281048688 /nfs/dbraw/zinc/04/86/88/1281048688.db2.gz WNTSBFKYUULCIQ-JOCQHMNTSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582100922 1281058432 /nfs/dbraw/zinc/05/84/32/1281058432.db2.gz VIIWTVIEJGQXDA-INWMFGNUSA-N 2 2 368.445 0.583 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582169338 1281135604 /nfs/dbraw/zinc/13/56/04/1281135604.db2.gz NOUZQLMYJOEKDH-LLVKDONJSA-N 2 2 372.458 0.975 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582169452 1281135762 /nfs/dbraw/zinc/13/57/62/1281135762.db2.gz STOZEBBMJSBVCJ-LBPRGKRZSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001582169883 1281137387 /nfs/dbraw/zinc/13/73/87/1281137387.db2.gz HOJBAXYYDHRZBU-UHFFFAOYSA-N 2 2 370.392 0.710 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582170615 1281138618 /nfs/dbraw/zinc/13/86/18/1281138618.db2.gz WETGENBHOQTXDP-INIZCTEOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582196168 1281177524 /nfs/dbraw/zinc/17/75/24/1281177524.db2.gz FRKYWJVMPHTIMV-MRXNPFEDSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197784 1281182329 /nfs/dbraw/zinc/18/23/29/1281182329.db2.gz YQOABUGCABMXSQ-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197784 1281182331 /nfs/dbraw/zinc/18/23/31/1281182331.db2.gz YQOABUGCABMXSQ-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CC1 ZINC001582517242 1281703013 /nfs/dbraw/zinc/70/30/13/1281703013.db2.gz NGQVUFRKGSZTMD-UHFFFAOYSA-N 2 2 356.434 0.086 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)CC1 ZINC001639386883 1282785183 /nfs/dbraw/zinc/78/51/83/1282785183.db2.gz STMRERYXHFPXOT-INIZCTEOSA-N 2 2 351.495 0.548 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)CC1 ZINC001639386883 1282785191 /nfs/dbraw/zinc/78/51/91/1282785191.db2.gz STMRERYXHFPXOT-INIZCTEOSA-N 2 2 351.495 0.548 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001589139557 1282807086 /nfs/dbraw/zinc/80/70/86/1282807086.db2.gz WBOJFXLPIKDVEN-MRXNPFEDSA-N 2 2 369.473 0.996 20 0 FCADLP CC(C)=CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589367538 1282850328 /nfs/dbraw/zinc/85/03/28/1282850328.db2.gz IRFMMLYBQUDOAE-UHFFFAOYSA-N 2 2 370.461 0.856 20 0 FCADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589954736 1283146781 /nfs/dbraw/zinc/14/67/81/1283146781.db2.gz ICHQBXNPLOPLMR-HOCLYGCPSA-N 2 2 372.477 0.319 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307971 1283452848 /nfs/dbraw/zinc/45/28/48/1283452848.db2.gz KJMJOIUZUMNZCU-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307971 1283452853 /nfs/dbraw/zinc/45/28/53/1283452853.db2.gz KJMJOIUZUMNZCU-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP CN(C(=O)NC[C@]1(C)CCC(=O)N1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001681805315 1283510610 /nfs/dbraw/zinc/51/06/10/1283510610.db2.gz YVXCKDOUALFTPA-QAPCUYQASA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@]1(C)CCC(=O)N1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001681805315 1283510617 /nfs/dbraw/zinc/51/06/17/1283510617.db2.gz YVXCKDOUALFTPA-QAPCUYQASA-N 2 2 351.495 0.465 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001590678749 1283730129 /nfs/dbraw/zinc/73/01/29/1283730129.db2.gz ZTAAEJKCYNBMAG-INIZCTEOSA-N 2 2 360.462 0.775 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001590678749 1283730135 /nfs/dbraw/zinc/73/01/35/1283730135.db2.gz ZTAAEJKCYNBMAG-INIZCTEOSA-N 2 2 360.462 0.775 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183361 1284288988 /nfs/dbraw/zinc/28/89/88/1284288988.db2.gz DNFHPOPZNUXZTC-WFASDCNBSA-N 2 2 369.429 0.430 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183361 1284288999 /nfs/dbraw/zinc/28/89/99/1284288999.db2.gz DNFHPOPZNUXZTC-WFASDCNBSA-N 2 2 369.429 0.430 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591187868 1284302284 /nfs/dbraw/zinc/30/22/84/1284302284.db2.gz VHOJUHGYIAZXTF-XEZPLFJOSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591187868 1284302293 /nfs/dbraw/zinc/30/22/93/1284302293.db2.gz VHOJUHGYIAZXTF-XEZPLFJOSA-N 2 2 370.461 0.475 20 0 FCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001591189786 1284305151 /nfs/dbraw/zinc/30/51/51/1284305151.db2.gz RAUOUDCUHLNAFY-UHFFFAOYSA-N 2 2 370.461 0.248 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001592418210 1285341338 /nfs/dbraw/zinc/34/13/38/1285341338.db2.gz TUSJWFQIFGFFIY-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1nn(C)c(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1-c1nn[nH]n1 ZINC001592432470 1285364979 /nfs/dbraw/zinc/36/49/79/1285364979.db2.gz OIZSYPHCUWTLMZ-CQSZACIVSA-N 2 2 359.482 0.515 20 0 FCADLP Cc1nn(C)c(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1-c1nn[nH]n1 ZINC001592432470 1285364990 /nfs/dbraw/zinc/36/49/90/1285364990.db2.gz OIZSYPHCUWTLMZ-CQSZACIVSA-N 2 2 359.482 0.515 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592589655 1285520064 /nfs/dbraw/zinc/52/00/64/1285520064.db2.gz GZJXVYGPJWVXAM-NSCUHMNNSA-N 2 2 366.429 0.605 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001592739403 1285656485 /nfs/dbraw/zinc/65/64/85/1285656485.db2.gz BMAPGWRRSAWHIE-UHFFFAOYSA-N 2 2 362.413 0.228 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001592739354 1285657343 /nfs/dbraw/zinc/65/73/43/1285657343.db2.gz ALEFTEFIOYFDTK-UHFFFAOYSA-N 2 2 362.413 0.228 20 0 FCADLP O=C(CC[NH2+][C@@H]1CCn2cc[nH+]c2C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001592844215 1285753372 /nfs/dbraw/zinc/75/33/72/1285753372.db2.gz VIPFKRJRBWLJGM-CYBMUJFWSA-N 2 2 352.402 0.996 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001592863822 1285767169 /nfs/dbraw/zinc/76/71/69/1285767169.db2.gz CWAPKWGJSXJTMD-STQMWFEESA-N 2 2 373.486 0.809 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001592863822 1285767174 /nfs/dbraw/zinc/76/71/74/1285767174.db2.gz CWAPKWGJSXJTMD-STQMWFEESA-N 2 2 373.486 0.809 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001592863971 1285768238 /nfs/dbraw/zinc/76/82/38/1285768238.db2.gz NLCSYYHYFFCCAP-AWEZNQCLSA-N 2 2 370.461 0.833 20 0 FCADLP O=C(NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001593000167 1285881893 /nfs/dbraw/zinc/88/18/93/1285881893.db2.gz JKISRDDKMWZVQA-QGZVFWFLSA-N 2 2 367.457 0.509 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnccc1-c1nn[nH]n1 ZINC001609283821 1289047509 /nfs/dbraw/zinc/04/75/09/1289047509.db2.gz QLNZFGTUTSEGQI-UHFFFAOYSA-N 2 2 358.450 0.360 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnccc1-c1nn[nH]n1 ZINC001609283821 1289047512 /nfs/dbraw/zinc/04/75/12/1289047512.db2.gz QLNZFGTUTSEGQI-UHFFFAOYSA-N 2 2 358.450 0.360 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCN2CCOCC2)CC1 ZINC001593548331 1286200775 /nfs/dbraw/zinc/20/07/75/1286200775.db2.gz XPDHEVKBDJUIBB-UHFFFAOYSA-N 2 2 371.489 0.753 20 0 FCADLP c1nn2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc2c1-c1nn[nH]n1 ZINC001593590778 1286205831 /nfs/dbraw/zinc/20/58/31/1286205831.db2.gz COXKDZSWZRXZIY-ZDUSSCGKSA-N 2 2 353.434 0.827 20 0 FCADLP c1nn2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cnc2c1-c1nn[nH]n1 ZINC001593590778 1286205834 /nfs/dbraw/zinc/20/58/34/1286205834.db2.gz COXKDZSWZRXZIY-ZDUSSCGKSA-N 2 2 353.434 0.827 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001597116656 1286329384 /nfs/dbraw/zinc/32/93/84/1286329384.db2.gz XKUYBHIGCLBKSN-SFHVURJKSA-N 2 2 372.510 0.404 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707221953 1287068159 /nfs/dbraw/zinc/06/81/59/1287068159.db2.gz OMIPNLSFTJTDIZ-OAGGEKHMSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707221953 1287068167 /nfs/dbraw/zinc/06/81/67/1287068167.db2.gz OMIPNLSFTJTDIZ-OAGGEKHMSA-N 2 2 361.490 0.893 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243550 1287936191 /nfs/dbraw/zinc/93/61/91/1287936191.db2.gz AYONKFFTWVSRBA-NUEKZKHPSA-N 2 2 365.478 0.272 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243550 1287936199 /nfs/dbraw/zinc/93/61/99/1287936199.db2.gz AYONKFFTWVSRBA-NUEKZKHPSA-N 2 2 365.478 0.272 20 0 FCADLP Cc1cc(NCCN(C)C(=O)CCc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001605734376 1288066334 /nfs/dbraw/zinc/06/63/34/1288066334.db2.gz BBLIBBZXTRWOIB-UHFFFAOYSA-N 2 2 369.433 0.229 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001721954111 1288393860 /nfs/dbraw/zinc/39/38/60/1288393860.db2.gz DTSCXDORBGHLAH-QGTPRVQTSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001721954111 1288393866 /nfs/dbraw/zinc/39/38/66/1288393866.db2.gz DTSCXDORBGHLAH-QGTPRVQTSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(=O)N1CCCCC1 ZINC001732359806 1288581784 /nfs/dbraw/zinc/58/17/84/1288581784.db2.gz GGQWZKXSAZAVIF-ARFHVFGLSA-N 2 2 361.490 0.878 20 0 FCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001609606135 1289261997 /nfs/dbraw/zinc/26/19/97/1289261997.db2.gz WJIOZLDQSUMDAC-OAHLLOKOSA-N 2 2 357.418 0.873 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)no1 ZINC001691920879 1289343677 /nfs/dbraw/zinc/34/36/77/1289343677.db2.gz HQLZXGVFMIIBPW-QWHCGFSZSA-N 2 2 360.418 0.762 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccnn1C ZINC001692177305 1289417022 /nfs/dbraw/zinc/41/70/22/1289417022.db2.gz ZSFYOZHCPWNOCD-WBVHZDCISA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccnn1C ZINC001692177305 1289417025 /nfs/dbraw/zinc/41/70/25/1289417025.db2.gz ZSFYOZHCPWNOCD-WBVHZDCISA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1Cc1cn(C)nn1 ZINC001692212205 1289427867 /nfs/dbraw/zinc/42/78/67/1289427867.db2.gz QJUHOBJLJJAVOU-DLBZAZTESA-N 2 2 364.494 0.395 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1Cc1cn(C)nn1 ZINC001692212205 1289427873 /nfs/dbraw/zinc/42/78/73/1289427873.db2.gz QJUHOBJLJJAVOU-DLBZAZTESA-N 2 2 364.494 0.395 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)nn1C ZINC001692232869 1289432996 /nfs/dbraw/zinc/43/29/96/1289432996.db2.gz ZNQYJFWRWQUVTG-KYJSFNMBSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)nn1C ZINC001692232869 1289432999 /nfs/dbraw/zinc/43/29/99/1289432999.db2.gz ZNQYJFWRWQUVTG-KYJSFNMBSA-N 2 2 363.506 0.776 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCCC[C@@H]1CC[NH2+]CCO ZINC001698920705 1289539600 /nfs/dbraw/zinc/53/96/00/1289539600.db2.gz CZHPETNGDYHICD-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)no1 ZINC001699440422 1289554369 /nfs/dbraw/zinc/55/43/69/1289554369.db2.gz DKLJTTNQOLFEOI-IACUBPJLSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)no1 ZINC001699440422 1289554377 /nfs/dbraw/zinc/55/43/77/1289554377.db2.gz DKLJTTNQOLFEOI-IACUBPJLSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)no1 ZINC001699440422 1289554383 /nfs/dbraw/zinc/55/43/83/1289554383.db2.gz DKLJTTNQOLFEOI-IACUBPJLSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)no1 ZINC001699440422 1289554391 /nfs/dbraw/zinc/55/43/91/1289554391.db2.gz DKLJTTNQOLFEOI-IACUBPJLSA-N 2 2 351.451 0.698 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001699902162 1289576417 /nfs/dbraw/zinc/57/64/17/1289576417.db2.gz UUIRSQNNGPOQME-MDZRGWNJSA-N 2 2 355.442 0.672 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001699902162 1289576423 /nfs/dbraw/zinc/57/64/23/1289576423.db2.gz UUIRSQNNGPOQME-MDZRGWNJSA-N 2 2 355.442 0.672 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001737805625 1289590851 /nfs/dbraw/zinc/59/08/51/1289590851.db2.gz WJDHVHMTTIIDKB-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001737805625 1289590855 /nfs/dbraw/zinc/59/08/55/1289590855.db2.gz WJDHVHMTTIIDKB-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(=O)N3CCC(O)CC3)C2)CC1 ZINC001616890442 1289798039 /nfs/dbraw/zinc/79/80/39/1289798039.db2.gz NLISNMAULYIVRO-OAHLLOKOSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(=O)N3CCC(O)CC3)C2)CC1 ZINC001616890442 1289798046 /nfs/dbraw/zinc/79/80/46/1289798046.db2.gz NLISNMAULYIVRO-OAHLLOKOSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)CCN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@H]1CCS(=O)(=O)C1 ZINC001621508395 1290038560 /nfs/dbraw/zinc/03/85/60/1290038560.db2.gz KCNRYMUKIYRGMW-INIZCTEOSA-N 2 2 368.503 0.334 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)[NH+](CC)CC ZINC001739663059 1290326117 /nfs/dbraw/zinc/32/61/17/1290326117.db2.gz CJQXSTMNOXVGNR-OAGGEKHMSA-N 2 2 365.478 0.069 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1)[NH+](CC)CC ZINC001739663060 1290327123 /nfs/dbraw/zinc/32/71/23/1290327123.db2.gz CJQXSTMNOXVGNR-PMPSAXMXSA-N 2 2 365.478 0.069 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@H](C)c2csnn2)CC[N@@H+]1C ZINC001754882690 1290637316 /nfs/dbraw/zinc/63/73/16/1290637316.db2.gz OBRWTNOQISHIAM-VNHYZAJKSA-N 2 2 355.508 0.740 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@H](C)c2csnn2)CC[N@H+]1C ZINC001754882690 1290637326 /nfs/dbraw/zinc/63/73/26/1290637326.db2.gz OBRWTNOQISHIAM-VNHYZAJKSA-N 2 2 355.508 0.740 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001757175550 1290730628 /nfs/dbraw/zinc/73/06/28/1290730628.db2.gz SWCGNIDGYUFCDU-XHSDSOJGSA-N 2 2 365.478 0.254 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001757175550 1290730638 /nfs/dbraw/zinc/73/06/38/1290730638.db2.gz SWCGNIDGYUFCDU-XHSDSOJGSA-N 2 2 365.478 0.254 20 0 FCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001648734900 1291138854 /nfs/dbraw/zinc/13/88/54/1291138854.db2.gz AOTCCURCVUPYLE-GJZGRUSLSA-N 2 2 366.487 0.758 20 0 FCADLP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001654558667 1291417955 /nfs/dbraw/zinc/41/79/55/1291417955.db2.gz QFDMMJZSFVNDSW-WBVHZDCISA-N 2 2 352.504 0.731 20 0 FCADLP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001654558667 1291417958 /nfs/dbraw/zinc/41/79/58/1291417958.db2.gz QFDMMJZSFVNDSW-WBVHZDCISA-N 2 2 352.504 0.731 20 0 FCADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(S(N)(=O)=O)o3)ccn2)CC1 ZINC001655307887 1291462414 /nfs/dbraw/zinc/46/24/14/1291462414.db2.gz ZGUOKWMOKGMJQK-UHFFFAOYSA-N 2 2 365.459 0.364 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001688334297 1294481788 /nfs/dbraw/zinc/48/17/88/1294481788.db2.gz WHBPIDIBSMVVNC-ZJIFWQFVSA-N 2 2 361.490 0.829 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001688334297 1294481792 /nfs/dbraw/zinc/48/17/92/1294481792.db2.gz WHBPIDIBSMVVNC-ZJIFWQFVSA-N 2 2 361.490 0.829 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001688338220 1294482643 /nfs/dbraw/zinc/48/26/43/1294482643.db2.gz AJYVWPJHJGNOAS-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001688338220 1294482645 /nfs/dbraw/zinc/48/26/45/1294482645.db2.gz AJYVWPJHJGNOAS-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2[NH2+]CCCO)cn1 ZINC001689031940 1294577418 /nfs/dbraw/zinc/57/74/18/1294577418.db2.gz GVOLPRZOUUNQMX-JKSUJKDBSA-N 2 2 360.462 0.053 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001689093329 1294612313 /nfs/dbraw/zinc/61/23/13/1294612313.db2.gz ZIXIJNBWPWKOMB-UPJWGTAASA-N 2 2 351.451 0.440 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001689094985 1294614458 /nfs/dbraw/zinc/61/44/58/1294614458.db2.gz LDJZXYANGOAJMA-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001689094985 1294614469 /nfs/dbraw/zinc/61/44/69/1294614469.db2.gz LDJZXYANGOAJMA-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001689099686 1294617613 /nfs/dbraw/zinc/61/76/13/1294617613.db2.gz ATPYQHKIPGPSIM-PMPSAXMXSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001689099686 1294617628 /nfs/dbraw/zinc/61/76/28/1294617628.db2.gz ATPYQHKIPGPSIM-PMPSAXMXSA-N 2 2 359.536 0.590 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[N@@H+]1CCS(C)(=O)=O ZINC001689189143 1294656257 /nfs/dbraw/zinc/65/62/57/1294656257.db2.gz ISZWVUNSLPWCRB-JKSUJKDBSA-N 2 2 370.519 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[N@H+]1CCS(C)(=O)=O ZINC001689189143 1294656265 /nfs/dbraw/zinc/65/62/65/1294656265.db2.gz ISZWVUNSLPWCRB-JKSUJKDBSA-N 2 2 370.519 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001689192442 1294662316 /nfs/dbraw/zinc/66/23/16/1294662316.db2.gz FRXQCWONVQYZFL-DLBZAZTESA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001689192442 1294662323 /nfs/dbraw/zinc/66/23/23/1294662323.db2.gz FRXQCWONVQYZFL-DLBZAZTESA-N 2 2 361.490 0.800 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1)C1CC1 ZINC001689239413 1294700610 /nfs/dbraw/zinc/70/06/10/1294700610.db2.gz LVKWPRXMNJOFRH-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1)C1CC1 ZINC001689239413 1294700620 /nfs/dbraw/zinc/70/06/20/1294700620.db2.gz LVKWPRXMNJOFRH-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001689655166 1294820247 /nfs/dbraw/zinc/82/02/47/1294820247.db2.gz OJNIDXGQCXRPHX-RRQGHBQHSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001689655166 1294820263 /nfs/dbraw/zinc/82/02/63/1294820263.db2.gz OJNIDXGQCXRPHX-RRQGHBQHSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001689655166 1294820280 /nfs/dbraw/zinc/82/02/80/1294820280.db2.gz OJNIDXGQCXRPHX-RRQGHBQHSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(C)C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001689655166 1294820292 /nfs/dbraw/zinc/82/02/92/1294820292.db2.gz OJNIDXGQCXRPHX-RRQGHBQHSA-N 2 2 361.490 0.988 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001690423581 1294866227 /nfs/dbraw/zinc/86/62/27/1294866227.db2.gz PSUKIXQOWCFQJT-RRFJBIMHSA-N 2 2 368.503 0.396 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001690623419 1294876922 /nfs/dbraw/zinc/87/69/22/1294876922.db2.gz MXMFNIYPSYVGKX-BFHYXJOUSA-N 2 2 350.467 0.326 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001691799272 1294923858 /nfs/dbraw/zinc/92/38/58/1294923858.db2.gz GZVPYJUJPRJRDP-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001691799272 1294923865 /nfs/dbraw/zinc/92/38/65/1294923865.db2.gz GZVPYJUJPRJRDP-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP Nc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc[nH+]1 ZINC001164915155 721791291 /nfs/dbraw/zinc/79/12/91/721791291.db2.gz ISDZPCSMDCTBCG-SFHVURJKSA-N 2 2 356.430 0.562 20 0 FCADLP Nc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc[nH+]1 ZINC001164915155 721791293 /nfs/dbraw/zinc/79/12/93/721791293.db2.gz ISDZPCSMDCTBCG-SFHVURJKSA-N 2 2 356.430 0.562 20 0 FCADLP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164966582 722073981 /nfs/dbraw/zinc/07/39/81/722073981.db2.gz CHDGLVRMORBOIM-CALCHBBNSA-N 3 2 358.490 0.704 20 0 FCADLP [NH3+]C1CCN(c2cc[nH+]c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164966582 722073982 /nfs/dbraw/zinc/07/39/82/722073982.db2.gz CHDGLVRMORBOIM-CALCHBBNSA-N 3 2 358.490 0.704 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078053 837614557 /nfs/dbraw/zinc/61/45/57/837614557.db2.gz SVLKZDGGODOKNJ-KFWWJZLASA-N 2 2 350.442 0.464 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078053 837614558 /nfs/dbraw/zinc/61/45/58/837614558.db2.gz SVLKZDGGODOKNJ-KFWWJZLASA-N 2 2 350.442 0.464 20 0 FCADLP CC(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972795 837708044 /nfs/dbraw/zinc/70/80/44/837708044.db2.gz MHBAMMYLFXIFSM-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972795 837708053 /nfs/dbraw/zinc/70/80/53/837708053.db2.gz MHBAMMYLFXIFSM-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972795 837708059 /nfs/dbraw/zinc/70/80/59/837708059.db2.gz MHBAMMYLFXIFSM-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972795 837708067 /nfs/dbraw/zinc/70/80/67/837708067.db2.gz MHBAMMYLFXIFSM-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709107 837786075 /nfs/dbraw/zinc/78/60/75/837786075.db2.gz RFXVQIWMIKOIFE-IKGGRYGDSA-N 2 2 355.479 0.093 20 0 FCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709107 837786082 /nfs/dbraw/zinc/78/60/82/837786082.db2.gz RFXVQIWMIKOIFE-IKGGRYGDSA-N 2 2 355.479 0.093 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099337074 844030892 /nfs/dbraw/zinc/03/08/92/844030892.db2.gz GHGUJWSCUHNAJW-CKYFFXLPSA-N 2 2 361.368 0.503 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341830 844035475 /nfs/dbraw/zinc/03/54/75/844035475.db2.gz WFSJQLBKQJDIAI-QJPTWQEYSA-N 2 2 360.384 0.246 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341830 844035483 /nfs/dbraw/zinc/03/54/83/844035483.db2.gz WFSJQLBKQJDIAI-QJPTWQEYSA-N 2 2 360.384 0.246 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnsn3)C2)C1 ZINC001099403371 844043399 /nfs/dbraw/zinc/04/33/99/844043399.db2.gz KNHAWQVYAIGEIC-QRTARXTBSA-N 2 2 365.503 0.587 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnsn3)C2)C1 ZINC001099403371 844043407 /nfs/dbraw/zinc/04/34/07/844043407.db2.gz KNHAWQVYAIGEIC-QRTARXTBSA-N 2 2 365.503 0.587 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000746762797 836197668 /nfs/dbraw/zinc/19/76/68/836197668.db2.gz SRCYRHWIFJHVBR-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000746762797 836197676 /nfs/dbraw/zinc/19/76/76/836197676.db2.gz SRCYRHWIFJHVBR-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000746762796 836197838 /nfs/dbraw/zinc/19/78/38/836197838.db2.gz SRCYRHWIFJHVBR-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000746762796 836197844 /nfs/dbraw/zinc/19/78/44/836197844.db2.gz SRCYRHWIFJHVBR-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000750188498 836409796 /nfs/dbraw/zinc/40/97/96/836409796.db2.gz XCMZZVOUHLBFJK-OAHLLOKOSA-N 2 2 356.492 0.549 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101461926 844192811 /nfs/dbraw/zinc/19/28/11/844192811.db2.gz ZRRCZJOQFCBXCN-WBVHZDCISA-N 2 2 368.503 0.407 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101461926 844192825 /nfs/dbraw/zinc/19/28/25/844192825.db2.gz ZRRCZJOQFCBXCN-WBVHZDCISA-N 2 2 368.503 0.407 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643536 837875509 /nfs/dbraw/zinc/87/55/09/837875509.db2.gz BGMAQDYULUFZRW-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643536 837875524 /nfs/dbraw/zinc/87/55/24/837875524.db2.gz BGMAQDYULUFZRW-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643536 837875539 /nfs/dbraw/zinc/87/55/39/837875539.db2.gz BGMAQDYULUFZRW-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]32)C1 ZINC001075643536 837875549 /nfs/dbraw/zinc/87/55/49/837875549.db2.gz BGMAQDYULUFZRW-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001076633336 838033745 /nfs/dbraw/zinc/03/37/45/838033745.db2.gz JAPPLAXYEZLOSI-JKSUJKDBSA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001076633336 838033752 /nfs/dbraw/zinc/03/37/52/838033752.db2.gz JAPPLAXYEZLOSI-JKSUJKDBSA-N 2 2 366.487 0.241 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838886 838128878 /nfs/dbraw/zinc/12/88/78/838128878.db2.gz QEXXBXTUWVHDEU-BRWVUGGUSA-N 2 2 367.877 0.374 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838886 838128881 /nfs/dbraw/zinc/12/88/81/838128881.db2.gz QEXXBXTUWVHDEU-BRWVUGGUSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838886 838128887 /nfs/dbraw/zinc/12/88/87/838128887.db2.gz QEXXBXTUWVHDEU-BRWVUGGUSA-N 2 2 367.877 0.374 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@H]2O)C1 ZINC001076838886 838128894 /nfs/dbraw/zinc/12/88/94/838128894.db2.gz QEXXBXTUWVHDEU-BRWVUGGUSA-N 2 2 367.877 0.374 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001077092369 838726311 /nfs/dbraw/zinc/72/63/11/838726311.db2.gz QMQBHLSOVOQUCQ-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001077092369 838726314 /nfs/dbraw/zinc/72/63/14/838726314.db2.gz QMQBHLSOVOQUCQ-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001077092369 838726321 /nfs/dbraw/zinc/72/63/21/838726321.db2.gz QMQBHLSOVOQUCQ-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001077092369 838726328 /nfs/dbraw/zinc/72/63/28/838726328.db2.gz QMQBHLSOVOQUCQ-QLFBSQMISA-N 2 2 352.504 0.987 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128072 838752273 /nfs/dbraw/zinc/75/22/73/838752273.db2.gz VWBOINLUAAXNMF-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128072 838752277 /nfs/dbraw/zinc/75/22/77/838752277.db2.gz VWBOINLUAAXNMF-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128072 838752283 /nfs/dbraw/zinc/75/22/83/838752283.db2.gz VWBOINLUAAXNMF-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077128072 838752289 /nfs/dbraw/zinc/75/22/89/838752289.db2.gz VWBOINLUAAXNMF-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)cs1 ZINC001077566663 839041422 /nfs/dbraw/zinc/04/14/22/839041422.db2.gz JRCUEMDZFTXCQC-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)cs1 ZINC001077566663 839041429 /nfs/dbraw/zinc/04/14/29/839041429.db2.gz JRCUEMDZFTXCQC-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cs1 ZINC001077566663 839041439 /nfs/dbraw/zinc/04/14/39/839041439.db2.gz JRCUEMDZFTXCQC-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cs1 ZINC001077566663 839041450 /nfs/dbraw/zinc/04/14/50/839041450.db2.gz JRCUEMDZFTXCQC-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)on1 ZINC001077927905 839233608 /nfs/dbraw/zinc/23/36/08/839233608.db2.gz LZSLHSWIABSTLR-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)on1 ZINC001077927905 839233617 /nfs/dbraw/zinc/23/36/17/839233617.db2.gz LZSLHSWIABSTLR-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001078081079 839325639 /nfs/dbraw/zinc/32/56/39/839325639.db2.gz PRALXCZKBGQQKR-BRWVUGGUSA-N 2 2 350.463 0.627 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001078081079 839325648 /nfs/dbraw/zinc/32/56/48/839325648.db2.gz PRALXCZKBGQQKR-BRWVUGGUSA-N 2 2 350.463 0.627 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175327 839383084 /nfs/dbraw/zinc/38/30/84/839383084.db2.gz YERZYCUKGDTKTL-CSMYWGQOSA-N 2 2 353.413 0.620 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175327 839383098 /nfs/dbraw/zinc/38/30/98/839383098.db2.gz YERZYCUKGDTKTL-CSMYWGQOSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175327 839383110 /nfs/dbraw/zinc/38/31/10/839383110.db2.gz YERZYCUKGDTKTL-CSMYWGQOSA-N 2 2 353.413 0.620 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3c(F)cccc3F)C[C@H]2O)C1 ZINC001078175327 839383123 /nfs/dbraw/zinc/38/31/23/839383123.db2.gz YERZYCUKGDTKTL-CSMYWGQOSA-N 2 2 353.413 0.620 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001079525915 839541707 /nfs/dbraw/zinc/54/17/07/839541707.db2.gz FUIAPCOFSFLHBO-XPKDYRNWSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001079525915 839541714 /nfs/dbraw/zinc/54/17/14/839541714.db2.gz FUIAPCOFSFLHBO-XPKDYRNWSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001079525915 839541721 /nfs/dbraw/zinc/54/17/21/839541721.db2.gz FUIAPCOFSFLHBO-XPKDYRNWSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001079525915 839541730 /nfs/dbraw/zinc/54/17/30/839541730.db2.gz FUIAPCOFSFLHBO-XPKDYRNWSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079967725 839634146 /nfs/dbraw/zinc/63/41/46/839634146.db2.gz VWAJAHJUEHLJQO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079967725 839634150 /nfs/dbraw/zinc/63/41/50/839634150.db2.gz VWAJAHJUEHLJQO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079967725 839634153 /nfs/dbraw/zinc/63/41/53/839634153.db2.gz VWAJAHJUEHLJQO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079967725 839634158 /nfs/dbraw/zinc/63/41/58/839634158.db2.gz VWAJAHJUEHLJQO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320714 844466092 /nfs/dbraw/zinc/46/60/92/844466092.db2.gz PVBKWMQMZHFMHY-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320714 844466097 /nfs/dbraw/zinc/46/60/97/844466097.db2.gz PVBKWMQMZHFMHY-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667406 839774124 /nfs/dbraw/zinc/77/41/24/839774124.db2.gz CJRIHSRQAPEORL-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667406 839774130 /nfs/dbraw/zinc/77/41/30/839774130.db2.gz CJRIHSRQAPEORL-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941342 839838436 /nfs/dbraw/zinc/83/84/36/839838436.db2.gz ZDYKXMNTNVQDSN-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941342 839838440 /nfs/dbraw/zinc/83/84/40/839838440.db2.gz ZDYKXMNTNVQDSN-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942812 839838501 /nfs/dbraw/zinc/83/85/01/839838501.db2.gz AUPQMIRUIJNEQQ-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942812 839838508 /nfs/dbraw/zinc/83/85/08/839838508.db2.gz AUPQMIRUIJNEQQ-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001080989242 839855420 /nfs/dbraw/zinc/85/54/20/839855420.db2.gz HOBSSJZYBPKYIU-RHSMWYFYSA-N 2 2 367.515 0.843 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001080989242 839855424 /nfs/dbraw/zinc/85/54/24/839855424.db2.gz HOBSSJZYBPKYIU-RHSMWYFYSA-N 2 2 367.515 0.843 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406282 844489095 /nfs/dbraw/zinc/48/90/95/844489095.db2.gz KZMFPSVIMGIHIS-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406282 844489100 /nfs/dbraw/zinc/48/91/00/844489100.db2.gz KZMFPSVIMGIHIS-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414668 844490053 /nfs/dbraw/zinc/49/00/53/844490053.db2.gz MTWOKKWNDRLVFH-RBSFLKMASA-N 2 2 371.507 0.068 20 0 FCADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414668 844490059 /nfs/dbraw/zinc/49/00/59/844490059.db2.gz MTWOKKWNDRLVFH-RBSFLKMASA-N 2 2 371.507 0.068 20 0 FCADLP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001081699545 840004372 /nfs/dbraw/zinc/00/43/72/840004372.db2.gz BQDKQZIOQJWWBU-OWCLPIDISA-N 2 2 353.442 0.965 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001081699545 840004379 /nfs/dbraw/zinc/00/43/79/840004379.db2.gz BQDKQZIOQJWWBU-OWCLPIDISA-N 2 2 353.442 0.965 20 0 FCADLP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001081699545 840004384 /nfs/dbraw/zinc/00/43/84/840004384.db2.gz BQDKQZIOQJWWBU-OWCLPIDISA-N 2 2 353.442 0.965 20 0 FCADLP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001081699545 840004388 /nfs/dbraw/zinc/00/43/88/840004388.db2.gz BQDKQZIOQJWWBU-OWCLPIDISA-N 2 2 353.442 0.965 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848236 840062942 /nfs/dbraw/zinc/06/29/42/840062942.db2.gz TUZFACVIISFMOQ-DTZQCDIJSA-N 2 2 368.503 0.220 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848236 840062949 /nfs/dbraw/zinc/06/29/49/840062949.db2.gz TUZFACVIISFMOQ-DTZQCDIJSA-N 2 2 368.503 0.220 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848236 840062957 /nfs/dbraw/zinc/06/29/57/840062957.db2.gz TUZFACVIISFMOQ-DTZQCDIJSA-N 2 2 368.503 0.220 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848236 840062966 /nfs/dbraw/zinc/06/29/66/840062966.db2.gz TUZFACVIISFMOQ-DTZQCDIJSA-N 2 2 368.503 0.220 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959812 840124176 /nfs/dbraw/zinc/12/41/76/840124176.db2.gz YWWOYPRDTLUOAT-UIEFQCFXSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959812 840124177 /nfs/dbraw/zinc/12/41/77/840124177.db2.gz YWWOYPRDTLUOAT-UIEFQCFXSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959812 840124178 /nfs/dbraw/zinc/12/41/78/840124178.db2.gz YWWOYPRDTLUOAT-UIEFQCFXSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959812 840124179 /nfs/dbraw/zinc/12/41/79/840124179.db2.gz YWWOYPRDTLUOAT-UIEFQCFXSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134869 840203977 /nfs/dbraw/zinc/20/39/77/840203977.db2.gz GXGHLZNIAURCEU-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134869 840203986 /nfs/dbraw/zinc/20/39/86/840203986.db2.gz GXGHLZNIAURCEU-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082134869 840203992 /nfs/dbraw/zinc/20/39/92/840203992.db2.gz GXGHLZNIAURCEU-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082134869 840204001 /nfs/dbraw/zinc/20/40/01/840204001.db2.gz GXGHLZNIAURCEU-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001082139298 840209006 /nfs/dbraw/zinc/20/90/06/840209006.db2.gz NRMNLCCJRWRKMD-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001082139298 840209012 /nfs/dbraw/zinc/20/90/12/840209012.db2.gz NRMNLCCJRWRKMD-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486745 844522652 /nfs/dbraw/zinc/52/26/52/844522652.db2.gz SXOGFXTWRRKDRD-ZIAGYGMSSA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486745 844522659 /nfs/dbraw/zinc/52/26/59/844522659.db2.gz SXOGFXTWRRKDRD-ZIAGYGMSSA-N 2 2 367.519 0.833 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327678 840311967 /nfs/dbraw/zinc/31/19/67/840311967.db2.gz IVRZFNFMNQUXLN-BZUAXINKSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327678 840311985 /nfs/dbraw/zinc/31/19/85/840311985.db2.gz IVRZFNFMNQUXLN-BZUAXINKSA-N 2 2 350.463 0.593 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379471 840370467 /nfs/dbraw/zinc/37/04/67/840370467.db2.gz YTRGPUYTHVUEDS-BRWVUGGUSA-N 2 2 355.479 0.092 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379471 840370475 /nfs/dbraw/zinc/37/04/75/840370475.db2.gz YTRGPUYTHVUEDS-BRWVUGGUSA-N 2 2 355.479 0.092 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379471 840370486 /nfs/dbraw/zinc/37/04/86/840370486.db2.gz YTRGPUYTHVUEDS-BRWVUGGUSA-N 2 2 355.479 0.092 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379471 840370499 /nfs/dbraw/zinc/37/04/99/840370499.db2.gz YTRGPUYTHVUEDS-BRWVUGGUSA-N 2 2 355.479 0.092 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458348 840420336 /nfs/dbraw/zinc/42/03/36/840420336.db2.gz JQQSAHNMWTVGKT-KFWWJZLASA-N 2 2 350.467 0.126 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458348 840420342 /nfs/dbraw/zinc/42/03/42/840420342.db2.gz JQQSAHNMWTVGKT-KFWWJZLASA-N 2 2 350.467 0.126 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459043 840422156 /nfs/dbraw/zinc/42/21/56/840422156.db2.gz IZZLTTIEDBUYSH-BNOWGMLFSA-N 2 2 354.476 0.419 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459043 840422164 /nfs/dbraw/zinc/42/21/64/840422164.db2.gz IZZLTTIEDBUYSH-BNOWGMLFSA-N 2 2 354.476 0.419 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082549748 840458805 /nfs/dbraw/zinc/45/88/05/840458805.db2.gz YQOPTMDHYKJYIR-IJEWVQPXSA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082549748 840458810 /nfs/dbraw/zinc/45/88/10/840458810.db2.gz YQOPTMDHYKJYIR-IJEWVQPXSA-N 2 2 368.503 0.604 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102524725 844552149 /nfs/dbraw/zinc/55/21/49/844552149.db2.gz SXFCCOKGPYZBOS-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102524725 844552151 /nfs/dbraw/zinc/55/21/51/844552151.db2.gz SXFCCOKGPYZBOS-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102524725 844552156 /nfs/dbraw/zinc/55/21/56/844552156.db2.gz SXFCCOKGPYZBOS-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102524725 844552157 /nfs/dbraw/zinc/55/21/57/844552157.db2.gz SXFCCOKGPYZBOS-HUUCEWRRSA-N 2 2 351.499 0.780 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1nncn1C ZINC001082807498 840570416 /nfs/dbraw/zinc/57/04/16/840570416.db2.gz LMEYBOJVPISMDL-QLFBSQMISA-N 2 2 350.467 0.035 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082923430 840603453 /nfs/dbraw/zinc/60/34/53/840603453.db2.gz JWLGTUNTCIXYFE-VNHYZAJKSA-N 2 2 350.467 0.018 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102531818 844556163 /nfs/dbraw/zinc/55/61/63/844556163.db2.gz HKKUHBKJCVMKNY-BPLDGKMQSA-N 2 2 368.503 0.379 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102531818 844556165 /nfs/dbraw/zinc/55/61/65/844556165.db2.gz HKKUHBKJCVMKNY-BPLDGKMQSA-N 2 2 368.503 0.379 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)s1 ZINC001082933896 840612493 /nfs/dbraw/zinc/61/24/93/840612493.db2.gz NWBVWWYCHJTPDZ-MCIONIFRSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)s1 ZINC001082933896 840612498 /nfs/dbraw/zinc/61/24/98/840612498.db2.gz NWBVWWYCHJTPDZ-MCIONIFRSA-N 2 2 367.519 0.758 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)C1 ZINC001082933788 840612512 /nfs/dbraw/zinc/61/25/12/840612512.db2.gz JNELYILYGCNXEM-MCIONIFRSA-N 2 2 369.897 0.731 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)C1 ZINC001082933788 840612515 /nfs/dbraw/zinc/61/25/15/840612515.db2.gz JNELYILYGCNXEM-MCIONIFRSA-N 2 2 369.897 0.731 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21)[NH+](C)C ZINC001083195582 840790437 /nfs/dbraw/zinc/79/04/37/840790437.db2.gz CPOZOJHBWDJVSN-HRCADAONSA-N 2 2 352.504 0.937 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21)[NH+](C)C ZINC001083195582 840790443 /nfs/dbraw/zinc/79/04/43/840790443.db2.gz CPOZOJHBWDJVSN-HRCADAONSA-N 2 2 352.504 0.937 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001083275292 840857231 /nfs/dbraw/zinc/85/72/31/840857231.db2.gz XBRQNXHYCHAVAH-JKSUJKDBSA-N 2 2 350.488 0.693 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001083275292 840857240 /nfs/dbraw/zinc/85/72/40/840857240.db2.gz XBRQNXHYCHAVAH-JKSUJKDBSA-N 2 2 350.488 0.693 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465542 841036341 /nfs/dbraw/zinc/03/63/41/841036341.db2.gz IKBPSYOUJKFFSZ-XHSDSOJGSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)s1 ZINC001083465542 841036349 /nfs/dbraw/zinc/03/63/49/841036349.db2.gz IKBPSYOUJKFFSZ-XHSDSOJGSA-N 2 2 350.488 0.455 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472943 841047980 /nfs/dbraw/zinc/04/79/80/841047980.db2.gz YJKHCCRXZUCJPA-ZPUIDXCVSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472943 841047988 /nfs/dbraw/zinc/04/79/88/841047988.db2.gz YJKHCCRXZUCJPA-ZPUIDXCVSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472943 841047998 /nfs/dbraw/zinc/04/79/98/841047998.db2.gz YJKHCCRXZUCJPA-ZPUIDXCVSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472943 841048007 /nfs/dbraw/zinc/04/80/07/841048007.db2.gz YJKHCCRXZUCJPA-ZPUIDXCVSA-N 2 2 350.463 0.547 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524766 841123565 /nfs/dbraw/zinc/12/35/65/841123565.db2.gz JLSHBOAZPBOPNF-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524766 841123575 /nfs/dbraw/zinc/12/35/75/841123575.db2.gz JLSHBOAZPBOPNF-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524766 841123580 /nfs/dbraw/zinc/12/35/80/841123580.db2.gz JLSHBOAZPBOPNF-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524766 841123589 /nfs/dbraw/zinc/12/35/89/841123589.db2.gz JLSHBOAZPBOPNF-UAGQMJEPSA-N 2 2 350.463 0.907 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590648 841205875 /nfs/dbraw/zinc/20/58/75/841205875.db2.gz PHMPVDAASOQLDU-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590648 841205877 /nfs/dbraw/zinc/20/58/77/841205877.db2.gz PHMPVDAASOQLDU-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1)OC ZINC001083647517 841274550 /nfs/dbraw/zinc/27/45/50/841274550.db2.gz GWTMYMAMAGVNEN-UNEWFSDZSA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1)OC ZINC001083647517 841274556 /nfs/dbraw/zinc/27/45/56/841274556.db2.gz GWTMYMAMAGVNEN-UNEWFSDZSA-N 2 2 350.463 0.348 20 0 FCADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782667 841431720 /nfs/dbraw/zinc/43/17/20/841431720.db2.gz GGZSJSAYAOAXDL-MAZHCROVSA-N 2 2 354.426 0.793 20 0 FCADLP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782667 841431724 /nfs/dbraw/zinc/43/17/24/841431724.db2.gz GGZSJSAYAOAXDL-MAZHCROVSA-N 2 2 354.426 0.793 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053552 841667717 /nfs/dbraw/zinc/66/77/17/841667717.db2.gz BOHMTRALBYOSQX-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053552 841667726 /nfs/dbraw/zinc/66/77/26/841667726.db2.gz BOHMTRALBYOSQX-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053552 841667734 /nfs/dbraw/zinc/66/77/34/841667734.db2.gz BOHMTRALBYOSQX-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053552 841667738 /nfs/dbraw/zinc/66/77/38/841667738.db2.gz BOHMTRALBYOSQX-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084667459 841878193 /nfs/dbraw/zinc/87/81/93/841878193.db2.gz FTNFOZBJMRROPK-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21)[NH+](C)C ZINC001084667459 841878208 /nfs/dbraw/zinc/87/82/08/841878208.db2.gz FTNFOZBJMRROPK-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP O=C(N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21)C1([NH+]2CCOCC2)CCCC1 ZINC001084694494 841885427 /nfs/dbraw/zinc/88/54/27/841885427.db2.gz GSSFWUILIJAGJT-IAGOWNOFSA-N 2 2 351.491 0.547 20 0 FCADLP O=C(N1C[C@H]2CC[N@H+](CCCO)C[C@H]21)C1([NH+]2CCOCC2)CCCC1 ZINC001084694494 841885438 /nfs/dbraw/zinc/88/54/38/841885438.db2.gz GSSFWUILIJAGJT-IAGOWNOFSA-N 2 2 351.491 0.547 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncs2)C1 ZINC001085429432 842102901 /nfs/dbraw/zinc/10/29/01/842102901.db2.gz RSSWWOMKEGZHHY-MCIONIFRSA-N 2 2 353.492 0.776 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncs2)C1 ZINC001085429432 842102905 /nfs/dbraw/zinc/10/29/05/842102905.db2.gz RSSWWOMKEGZHHY-MCIONIFRSA-N 2 2 353.492 0.776 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085429440 842102965 /nfs/dbraw/zinc/10/29/65/842102965.db2.gz RWOYXPGWSTVSDH-BZUAXINKSA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085429440 842102973 /nfs/dbraw/zinc/10/29/73/842102973.db2.gz RWOYXPGWSTVSDH-BZUAXINKSA-N 2 2 350.467 0.053 20 0 FCADLP CCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120199 842122814 /nfs/dbraw/zinc/12/28/14/842122814.db2.gz OVLODMXSQHHXGY-YIYPIFLZSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120199 842122820 /nfs/dbraw/zinc/12/28/20/842122820.db2.gz OVLODMXSQHHXGY-YIYPIFLZSA-N 2 2 351.451 0.336 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087049319 842244612 /nfs/dbraw/zinc/24/46/12/842244612.db2.gz AJMCUCSZXJKWSC-CHWSQXEVSA-N 2 2 364.475 0.847 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087070752 842264923 /nfs/dbraw/zinc/26/49/23/842264923.db2.gz HMTICFXMEFRADR-UKRRQHHQSA-N 2 2 364.475 0.778 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001087094255 842284276 /nfs/dbraw/zinc/28/42/76/842284276.db2.gz ZODDSBWJDXPKCF-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nncs2)C1 ZINC001087181157 842309268 /nfs/dbraw/zinc/30/92/68/842309268.db2.gz DBGPCVPYEQRSAW-APIJFGDWSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2nncs2)C1 ZINC001087181157 842309280 /nfs/dbraw/zinc/30/92/80/842309280.db2.gz DBGPCVPYEQRSAW-APIJFGDWSA-N 2 2 367.519 0.974 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCS(C)(=O)=O ZINC001087621354 842379547 /nfs/dbraw/zinc/37/95/47/842379547.db2.gz RAYFTWYUBPFGKA-JKSUJKDBSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@H+]1CCS(C)(=O)=O ZINC001087621354 842379556 /nfs/dbraw/zinc/37/95/56/842379556.db2.gz RAYFTWYUBPFGKA-JKSUJKDBSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087659987 842395579 /nfs/dbraw/zinc/39/55/79/842395579.db2.gz MVBXGUQCAWVCEV-JKSUJKDBSA-N 2 2 364.471 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCS(C)(=O)=O ZINC001087659987 842395589 /nfs/dbraw/zinc/39/55/89/842395589.db2.gz MVBXGUQCAWVCEV-JKSUJKDBSA-N 2 2 364.471 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087810590 842435816 /nfs/dbraw/zinc/43/58/16/842435816.db2.gz BIFBNQHPKWTULO-OFQRWUPVSA-N 2 2 368.503 0.664 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087810590 842435821 /nfs/dbraw/zinc/43/58/21/842435821.db2.gz BIFBNQHPKWTULO-OFQRWUPVSA-N 2 2 368.503 0.664 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087830597 842442515 /nfs/dbraw/zinc/44/25/15/842442515.db2.gz NYLOKZNEQITDRK-HRCADAONSA-N 2 2 368.503 0.595 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087830597 842442523 /nfs/dbraw/zinc/44/25/23/842442523.db2.gz NYLOKZNEQITDRK-HRCADAONSA-N 2 2 368.503 0.595 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088052741 842518130 /nfs/dbraw/zinc/51/81/30/842518130.db2.gz FVQRIXYTFKTTOI-FGTMMUONSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088052741 842518137 /nfs/dbraw/zinc/51/81/37/842518137.db2.gz FVQRIXYTFKTTOI-FGTMMUONSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088052741 842518147 /nfs/dbraw/zinc/51/81/47/842518147.db2.gz FVQRIXYTFKTTOI-FGTMMUONSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088052741 842518152 /nfs/dbraw/zinc/51/81/52/842518152.db2.gz FVQRIXYTFKTTOI-FGTMMUONSA-N 2 2 353.507 0.650 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088703068 842655699 /nfs/dbraw/zinc/65/56/99/842655699.db2.gz ZKHKVDQULDQHHV-PMPSAXMXSA-N 2 2 369.531 0.629 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088703068 842655701 /nfs/dbraw/zinc/65/57/01/842655701.db2.gz ZKHKVDQULDQHHV-PMPSAXMXSA-N 2 2 369.531 0.629 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981691 842734164 /nfs/dbraw/zinc/73/41/64/842734164.db2.gz IBPGVKVQZXHJDG-HIFRSBDPSA-N 2 2 363.487 0.773 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981691 842734169 /nfs/dbraw/zinc/73/41/69/842734169.db2.gz IBPGVKVQZXHJDG-HIFRSBDPSA-N 2 2 363.487 0.773 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092741458 843291136 /nfs/dbraw/zinc/29/11/36/843291136.db2.gz DDPMUCHRLDXDBD-QLFBSQMISA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092741458 843291149 /nfs/dbraw/zinc/29/11/49/843291149.db2.gz DDPMUCHRLDXDBD-QLFBSQMISA-N 2 2 368.503 0.174 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001093991888 843499662 /nfs/dbraw/zinc/49/96/62/843499662.db2.gz IBYUHRHHNFNJJM-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001093991888 843499677 /nfs/dbraw/zinc/49/96/77/843499677.db2.gz IBYUHRHHNFNJJM-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001093993593 843501408 /nfs/dbraw/zinc/50/14/08/843501408.db2.gz OEJXBWCUBMDLDR-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001093993593 843501415 /nfs/dbraw/zinc/50/14/15/843501415.db2.gz OEJXBWCUBMDLDR-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094113790 843517958 /nfs/dbraw/zinc/51/79/58/843517958.db2.gz BKEAXKPFSDWNDD-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2csnn2)[C@H](C)C1 ZINC001094224353 843532605 /nfs/dbraw/zinc/53/26/05/843532605.db2.gz HCXHKIUIIZVBOZ-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001095668486 843746173 /nfs/dbraw/zinc/74/61/73/843746173.db2.gz PORUSDUQSHBNAE-QZWWFDLISA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001095668486 843746180 /nfs/dbraw/zinc/74/61/80/843746180.db2.gz PORUSDUQSHBNAE-QZWWFDLISA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001095668486 843746189 /nfs/dbraw/zinc/74/61/89/843746189.db2.gz PORUSDUQSHBNAE-QZWWFDLISA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001095668486 843746196 /nfs/dbraw/zinc/74/61/96/843746196.db2.gz PORUSDUQSHBNAE-QZWWFDLISA-N 2 2 350.507 0.917 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001096545549 843799642 /nfs/dbraw/zinc/79/96/42/843799642.db2.gz DSDJPQWTYYPPAY-WCVJEAGWSA-N 2 2 355.504 0.238 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001096545549 843799647 /nfs/dbraw/zinc/79/96/47/843799647.db2.gz DSDJPQWTYYPPAY-WCVJEAGWSA-N 2 2 355.504 0.238 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001099261972 843996017 /nfs/dbraw/zinc/99/60/17/843996017.db2.gz AXQQVVWDNBRYFD-MXWKQRLJSA-N 2 2 359.352 0.225 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001099287896 844005814 /nfs/dbraw/zinc/00/58/14/844005814.db2.gz SKPNEXWGLBPCPK-IJLUTSLNSA-N 2 2 359.352 0.141 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001103473815 844763396 /nfs/dbraw/zinc/76/33/96/844763396.db2.gz UMHNJOAGLKTBLV-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001103473815 844763404 /nfs/dbraw/zinc/76/34/04/844763404.db2.gz UMHNJOAGLKTBLV-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP Cc1conc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034136 844855730 /nfs/dbraw/zinc/85/57/30/844855730.db2.gz UGLOTMKKPCGDHS-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1conc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034136 844855739 /nfs/dbraw/zinc/85/57/39/844855739.db2.gz UGLOTMKKPCGDHS-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104034070 844855987 /nfs/dbraw/zinc/85/59/87/844855987.db2.gz RETBZUPHMONMQM-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104034070 844855990 /nfs/dbraw/zinc/85/59/90/844855990.db2.gz RETBZUPHMONMQM-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1csnn1 ZINC001104033983 844856028 /nfs/dbraw/zinc/85/60/28/844856028.db2.gz NTXOHXXUVZYDAH-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1csnn1 ZINC001104033983 844856033 /nfs/dbraw/zinc/85/60/33/844856033.db2.gz NTXOHXXUVZYDAH-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104908812 844958895 /nfs/dbraw/zinc/95/88/95/844958895.db2.gz MAXZPRJHHWPSGN-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)C1 ZINC001105041260 844974233 /nfs/dbraw/zinc/97/42/33/844974233.db2.gz BETWDOFBCAQDNH-RBSFLKMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)C1 ZINC001105041260 844974237 /nfs/dbraw/zinc/97/42/37/844974237.db2.gz BETWDOFBCAQDNH-RBSFLKMASA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106068181 845092427 /nfs/dbraw/zinc/09/24/27/845092427.db2.gz AIRHSAHECLNIOM-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106343218 845160270 /nfs/dbraw/zinc/16/02/70/845160270.db2.gz UZILGIGTNSKVAY-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106801281 845256676 /nfs/dbraw/zinc/25/66/76/845256676.db2.gz YQXDZXORBVHTAI-HUUCEWRRSA-N 2 2 370.519 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001106800891 845256820 /nfs/dbraw/zinc/25/68/20/845256820.db2.gz NOQQPEDGJVUTLK-OAGGEKHMSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC001106877293 845276493 /nfs/dbraw/zinc/27/64/93/845276493.db2.gz WCDDGIMYDPEFSD-YRGRVCCFSA-N 2 2 362.396 0.960 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078658 845326752 /nfs/dbraw/zinc/32/67/52/845326752.db2.gz JCTQXIHTRNINEJ-BRWVUGGUSA-N 2 2 352.479 0.601 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001107078226 845326794 /nfs/dbraw/zinc/32/67/94/845326794.db2.gz DVEMDJTYBZNTPZ-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276757500 861585009 /nfs/dbraw/zinc/58/50/09/861585009.db2.gz SRSJSVXJNWJFFH-KSSFIOAISA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276757500 861585021 /nfs/dbraw/zinc/58/50/21/861585021.db2.gz SRSJSVXJNWJFFH-KSSFIOAISA-N 2 2 353.463 0.193 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305130 845618114 /nfs/dbraw/zinc/61/81/14/845618114.db2.gz DXKCOABXMPGLAR-HMDCTGQHSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305130 845618120 /nfs/dbraw/zinc/61/81/20/845618120.db2.gz DXKCOABXMPGLAR-HMDCTGQHSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109305130 845618124 /nfs/dbraw/zinc/61/81/24/845618124.db2.gz DXKCOABXMPGLAR-HMDCTGQHSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109305130 845618128 /nfs/dbraw/zinc/61/81/28/845618128.db2.gz DXKCOABXMPGLAR-HMDCTGQHSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1 ZINC001109362811 845630084 /nfs/dbraw/zinc/63/00/84/845630084.db2.gz FXDDPHFEYOTNGV-WCVJEAGWSA-N 2 2 354.470 0.666 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1 ZINC001109362811 845630088 /nfs/dbraw/zinc/63/00/88/845630088.db2.gz FXDDPHFEYOTNGV-WCVJEAGWSA-N 2 2 354.470 0.666 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)CC1 ZINC001276764775 861589134 /nfs/dbraw/zinc/58/91/34/861589134.db2.gz GGQLJVATXIIXTH-CYBMUJFWSA-N 2 2 358.433 0.244 20 0 FCADLP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001109449179 845656594 /nfs/dbraw/zinc/65/65/94/845656594.db2.gz JCYZPUYAVMVEJY-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001109449179 845656603 /nfs/dbraw/zinc/65/66/03/845656603.db2.gz JCYZPUYAVMVEJY-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2)S(C)(=O)=O ZINC001109449179 845656610 /nfs/dbraw/zinc/65/66/10/845656610.db2.gz JCYZPUYAVMVEJY-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2)S(C)(=O)=O ZINC001109449179 845656620 /nfs/dbraw/zinc/65/66/20/845656620.db2.gz JCYZPUYAVMVEJY-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CCS(=O)(=O)CC[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276771898 861597328 /nfs/dbraw/zinc/59/73/28/861597328.db2.gz JVDLRCLJTDTEIK-QGZVFWFLSA-N 2 2 368.503 0.775 20 0 FCADLP CCS(=O)(=O)CC[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276771898 861597342 /nfs/dbraw/zinc/59/73/42/861597342.db2.gz JVDLRCLJTDTEIK-QGZVFWFLSA-N 2 2 368.503 0.775 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CC(F)(F)F ZINC001109975808 845769633 /nfs/dbraw/zinc/76/96/33/845769633.db2.gz FRJFXWTXZXRBEI-ZZVYKPCYSA-N 2 2 360.380 0.997 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CC(F)(F)F ZINC001109975808 845769640 /nfs/dbraw/zinc/76/96/40/845769640.db2.gz FRJFXWTXZXRBEI-ZZVYKPCYSA-N 2 2 360.380 0.997 20 0 FCADLP CC(C)OCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276783590 861607148 /nfs/dbraw/zinc/60/71/48/861607148.db2.gz UJMRXVHVQQEXFC-SFHVURJKSA-N 2 2 350.463 0.859 20 0 FCADLP CC(C)OCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276783590 861607160 /nfs/dbraw/zinc/60/71/60/861607160.db2.gz UJMRXVHVQQEXFC-SFHVURJKSA-N 2 2 350.463 0.859 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576359 845922184 /nfs/dbraw/zinc/92/21/84/845922184.db2.gz DXKCOABXMPGLAR-JJTUDDRGSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576359 845922193 /nfs/dbraw/zinc/92/21/93/845922193.db2.gz DXKCOABXMPGLAR-JJTUDDRGSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001110576359 845922196 /nfs/dbraw/zinc/92/21/96/845922196.db2.gz DXKCOABXMPGLAR-JJTUDDRGSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001110576359 845922202 /nfs/dbraw/zinc/92/22/02/845922202.db2.gz DXKCOABXMPGLAR-JJTUDDRGSA-N 2 2 350.507 0.964 20 0 FCADLP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2)S(C)(=O)=O ZINC001110664318 845943563 /nfs/dbraw/zinc/94/35/63/845943563.db2.gz KRRLGHCNOOOLOO-KFWWJZLASA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2)S(C)(=O)=O ZINC001110664318 845943571 /nfs/dbraw/zinc/94/35/71/845943571.db2.gz KRRLGHCNOOOLOO-KFWWJZLASA-N 2 2 372.535 0.084 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001110738300 845963218 /nfs/dbraw/zinc/96/32/18/845963218.db2.gz ABKORYLSJUDPRZ-KFWWJZLASA-N 2 2 374.551 0.378 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001110738300 845963222 /nfs/dbraw/zinc/96/32/22/845963222.db2.gz ABKORYLSJUDPRZ-KFWWJZLASA-N 2 2 374.551 0.378 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)CC ZINC001110738300 845963225 /nfs/dbraw/zinc/96/32/25/845963225.db2.gz ABKORYLSJUDPRZ-KFWWJZLASA-N 2 2 374.551 0.378 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)CC ZINC001110738300 845963226 /nfs/dbraw/zinc/96/32/26/845963226.db2.gz ABKORYLSJUDPRZ-KFWWJZLASA-N 2 2 374.551 0.378 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC1 ZINC001110956410 846001928 /nfs/dbraw/zinc/00/19/28/846001928.db2.gz HTZLZGZTUIXXMA-KFWWJZLASA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC1 ZINC001110956410 846001932 /nfs/dbraw/zinc/00/19/32/846001932.db2.gz HTZLZGZTUIXXMA-KFWWJZLASA-N 2 2 357.520 0.484 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275417 846075070 /nfs/dbraw/zinc/07/50/70/846075070.db2.gz VYIWVVJHLLISSG-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275417 846075074 /nfs/dbraw/zinc/07/50/74/846075074.db2.gz VYIWVVJHLLISSG-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111275417 846075084 /nfs/dbraw/zinc/07/50/84/846075084.db2.gz VYIWVVJHLLISSG-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111275417 846075092 /nfs/dbraw/zinc/07/50/92/846075092.db2.gz VYIWVVJHLLISSG-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407317 846100413 /nfs/dbraw/zinc/10/04/13/846100413.db2.gz QIEVVNFWNYTEFO-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407317 846100420 /nfs/dbraw/zinc/10/04/20/846100420.db2.gz QIEVVNFWNYTEFO-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407317 846100423 /nfs/dbraw/zinc/10/04/23/846100423.db2.gz QIEVVNFWNYTEFO-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407317 846100428 /nfs/dbraw/zinc/10/04/28/846100428.db2.gz QIEVVNFWNYTEFO-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658707 846169069 /nfs/dbraw/zinc/16/90/69/846169069.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658707 846169074 /nfs/dbraw/zinc/16/90/74/846169074.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658707 846169081 /nfs/dbraw/zinc/16/90/81/846169081.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658707 846169084 /nfs/dbraw/zinc/16/90/84/846169084.db2.gz MHZLIZNEPUVVOV-FCEWJHQRSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984863 846282165 /nfs/dbraw/zinc/28/21/65/846282165.db2.gz RWAGSFAISCSZFB-KXBFYZLASA-N 2 2 350.507 0.968 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984863 846282179 /nfs/dbraw/zinc/28/21/79/846282179.db2.gz RWAGSFAISCSZFB-KXBFYZLASA-N 2 2 350.507 0.968 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112168124 846432188 /nfs/dbraw/zinc/43/21/88/846432188.db2.gz XREAGUQKJNPPEN-FDYHWXHSSA-N 2 2 360.380 0.885 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112171489 846432854 /nfs/dbraw/zinc/43/28/54/846432854.db2.gz LKTJNCAIZALSJW-QJPTWQEYSA-N 2 2 361.368 0.559 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112190079 846449166 /nfs/dbraw/zinc/44/91/66/846449166.db2.gz KFNJTLUIFMGSQD-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112190079 846449174 /nfs/dbraw/zinc/44/91/74/846449174.db2.gz KFNJTLUIFMGSQD-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112216260 846472586 /nfs/dbraw/zinc/47/25/86/846472586.db2.gz WBCAHDZPDTWBIU-VXGBXAGGSA-N 2 2 361.368 0.388 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CCCCC2)O1 ZINC001115593234 846562838 /nfs/dbraw/zinc/56/28/38/846562838.db2.gz DNALTEBPCBRICA-UKRRQHHQSA-N 2 2 351.451 0.697 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CCCCC2)O1 ZINC001115593234 846562842 /nfs/dbraw/zinc/56/28/42/846562842.db2.gz DNALTEBPCBRICA-UKRRQHHQSA-N 2 2 351.451 0.697 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@](O)(C2CC2)C1)CC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001116837089 846780947 /nfs/dbraw/zinc/78/09/47/846780947.db2.gz QPFRKVOJIRCYFZ-HDICACEKSA-N 2 2 372.531 0.095 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@](O)(C2CC2)C1)CC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001116837089 846780953 /nfs/dbraw/zinc/78/09/53/846780953.db2.gz QPFRKVOJIRCYFZ-HDICACEKSA-N 2 2 372.531 0.095 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@](O)(C2CC2)C1)CC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001116837089 846780958 /nfs/dbraw/zinc/78/09/58/846780958.db2.gz QPFRKVOJIRCYFZ-HDICACEKSA-N 2 2 372.531 0.095 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@](O)(C2CC2)C1)CC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001116837089 846780964 /nfs/dbraw/zinc/78/09/64/846780964.db2.gz QPFRKVOJIRCYFZ-HDICACEKSA-N 2 2 372.531 0.095 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144816 846909889 /nfs/dbraw/zinc/90/98/89/846909889.db2.gz KXQVFRVZQOWROV-RHSMWYFYSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144816 846909900 /nfs/dbraw/zinc/90/99/00/846909900.db2.gz KXQVFRVZQOWROV-RHSMWYFYSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001123885040 848649593 /nfs/dbraw/zinc/64/95/93/848649593.db2.gz AGIFACQNXIHWEQ-MRXNPFEDSA-N 2 2 355.527 0.157 20 0 FCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570931 848726017 /nfs/dbraw/zinc/72/60/17/848726017.db2.gz GKPZMRBYUUSTBG-ZBFHGGJFSA-N 2 2 351.451 0.331 20 0 FCADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127571700 848726656 /nfs/dbraw/zinc/72/66/56/848726656.db2.gz YMVXMKOXCLUCEW-ZBFHGGJFSA-N 2 2 351.451 0.331 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049502 848799299 /nfs/dbraw/zinc/79/92/99/848799299.db2.gz YSLAYZFICHTZGL-ZNMIVQPWSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049502 848799302 /nfs/dbraw/zinc/79/93/02/848799302.db2.gz YSLAYZFICHTZGL-ZNMIVQPWSA-N 2 2 352.458 0.852 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129369974 848835465 /nfs/dbraw/zinc/83/54/65/848835465.db2.gz LULPFKMVDBZZLU-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129369974 848835468 /nfs/dbraw/zinc/83/54/68/848835468.db2.gz LULPFKMVDBZZLU-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129369974 848835471 /nfs/dbraw/zinc/83/54/71/848835471.db2.gz LULPFKMVDBZZLU-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129369974 848835474 /nfs/dbraw/zinc/83/54/74/848835474.db2.gz LULPFKMVDBZZLU-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CC(C)Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001130182587 848961540 /nfs/dbraw/zinc/96/15/40/848961540.db2.gz OJNNUBLFFDFYGK-HZSPNIEDSA-N 2 2 353.467 0.754 20 0 FCADLP CC(C)Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001130182587 848961544 /nfs/dbraw/zinc/96/15/44/848961544.db2.gz OJNNUBLFFDFYGK-HZSPNIEDSA-N 2 2 353.467 0.754 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C(C)C)n1)[NH+](C)C ZINC001130221175 848978924 /nfs/dbraw/zinc/97/89/24/848978924.db2.gz YFFXTGRUTFLUPA-MJBXVCDLSA-N 2 2 352.483 0.632 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130221108 848978982 /nfs/dbraw/zinc/97/89/82/848978982.db2.gz VDWMAJLWIPWWET-KCQAQPDRSA-N 2 2 350.467 0.243 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130251292 848988634 /nfs/dbraw/zinc/98/86/34/848988634.db2.gz LPUANRIBGAOULG-STQMWFEESA-N 2 2 356.446 0.193 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130251292 848988639 /nfs/dbraw/zinc/98/86/39/848988639.db2.gz LPUANRIBGAOULG-STQMWFEESA-N 2 2 356.446 0.193 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130251292 848988644 /nfs/dbraw/zinc/98/86/44/848988644.db2.gz LPUANRIBGAOULG-STQMWFEESA-N 2 2 356.446 0.193 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130251292 848988647 /nfs/dbraw/zinc/98/86/47/848988647.db2.gz LPUANRIBGAOULG-STQMWFEESA-N 2 2 356.446 0.193 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[NH+]3CCCC3)n2)O1 ZINC001130817210 849048664 /nfs/dbraw/zinc/04/86/64/849048664.db2.gz GEINKZWBLQJZMR-UONOGXRCSA-N 2 2 350.467 0.735 20 0 FCADLP O=C(NCC[NH2+]CCc1cccs1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613811 849131019 /nfs/dbraw/zinc/13/10/19/849131019.db2.gz OGDOKOMBWJMWLJ-WBVHZDCISA-N 2 2 367.515 0.876 20 0 FCADLP CC(C)COCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613844 849131312 /nfs/dbraw/zinc/13/13/12/849131312.db2.gz PHUDZCYZHUVWAN-SJORKVTESA-N 2 2 357.495 0.245 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001134050013 849171533 /nfs/dbraw/zinc/17/15/33/849171533.db2.gz ZQFKYYJQEMECGF-MGPQQGTHSA-N 2 2 354.476 0.054 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccnc3F)CC[C@@H]2C1 ZINC001138785531 849318929 /nfs/dbraw/zinc/31/89/29/849318929.db2.gz BOWDLWFGQRGEDM-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccnc3F)CC[C@@H]2C1 ZINC001138785531 849318938 /nfs/dbraw/zinc/31/89/38/849318938.db2.gz BOWDLWFGQRGEDM-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccnc3F)CC[C@@H]2C1 ZINC001138785531 849318941 /nfs/dbraw/zinc/31/89/41/849318941.db2.gz BOWDLWFGQRGEDM-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccnc3F)CC[C@@H]2C1 ZINC001138785531 849318947 /nfs/dbraw/zinc/31/89/47/849318947.db2.gz BOWDLWFGQRGEDM-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CSCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001144051908 849507659 /nfs/dbraw/zinc/50/76/59/849507659.db2.gz NXNKRUJRFPGFGF-UHFFFAOYSA-N 2 2 356.536 0.436 20 0 FCADLP CSCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001144051908 849507664 /nfs/dbraw/zinc/50/76/64/849507664.db2.gz NXNKRUJRFPGFGF-UHFFFAOYSA-N 2 2 356.536 0.436 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277718594 862030638 /nfs/dbraw/zinc/03/06/38/862030638.db2.gz GSHNXIUSWVJNLK-JKSUJKDBSA-N 2 2 350.463 0.499 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](C[C@@H](C)O)CC1 ZINC001151167289 849680224 /nfs/dbraw/zinc/68/02/24/849680224.db2.gz CPFJPVCYMQZPDD-RBSFLKMASA-N 2 2 350.463 0.881 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](C[C@@H](C)O)CC1 ZINC001151167289 849680230 /nfs/dbraw/zinc/68/02/30/849680230.db2.gz CPFJPVCYMQZPDD-RBSFLKMASA-N 2 2 350.463 0.881 20 0 FCADLP CC[N@H+](CC(=O)Nc1nncs1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452252 849745668 /nfs/dbraw/zinc/74/56/68/849745668.db2.gz NUQXXJYNHCYQAH-JHJVBQTASA-N 2 2 368.507 0.643 20 0 FCADLP CC[N@@H+](CC(=O)Nc1nncs1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452252 849745676 /nfs/dbraw/zinc/74/56/76/849745676.db2.gz NUQXXJYNHCYQAH-JHJVBQTASA-N 2 2 368.507 0.643 20 0 FCADLP CC[NH+](CC(=O)Nc1nncs1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452252 849745679 /nfs/dbraw/zinc/74/56/79/849745679.db2.gz NUQXXJYNHCYQAH-JHJVBQTASA-N 2 2 368.507 0.643 20 0 FCADLP CC[NH+](CC(=O)Nc1nncs1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452252 849745687 /nfs/dbraw/zinc/74/56/87/849745687.db2.gz NUQXXJYNHCYQAH-JHJVBQTASA-N 2 2 368.507 0.643 20 0 FCADLP CCNC(=O)c1cc(Cl)nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155391474 849850250 /nfs/dbraw/zinc/85/02/50/849850250.db2.gz OHAVYIMZJDWMMB-LBPRGKRZSA-N 2 2 352.870 0.739 20 0 FCADLP CS(=O)(=O)c1nc2c(c(N[C@H]3C[NH+]4CCC3CC4)n1)CC[NH2+]CC2 ZINC001155661879 849869437 /nfs/dbraw/zinc/86/94/37/849869437.db2.gz LOXXPRFJTAARIF-AWEZNQCLSA-N 2 2 351.476 0.074 20 0 FCADLP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157626982 849985890 /nfs/dbraw/zinc/98/58/90/849985890.db2.gz KQAWWENEKZQXGP-PKOBYXMFSA-N 3 2 350.507 0.289 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nc(Cl)ncc3N3CCOCC3)CC2)C1 ZINC001158260595 850030456 /nfs/dbraw/zinc/03/04/56/850030456.db2.gz FWFXFPOJJGFROL-ZDUSSCGKSA-N 2 2 366.897 0.968 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3nc(Cl)ncc3N3CCOCC3)CC2)C1 ZINC001158260595 850030467 /nfs/dbraw/zinc/03/04/67/850030467.db2.gz FWFXFPOJJGFROL-ZDUSSCGKSA-N 2 2 366.897 0.968 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001159076892 850094081 /nfs/dbraw/zinc/09/40/81/850094081.db2.gz LCUZQGRPSMNGIJ-JLSDUUJJSA-N 2 2 353.463 0.241 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832233 850139612 /nfs/dbraw/zinc/13/96/12/850139612.db2.gz BGKORXYDRPDRKS-YUELXQCFSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832233 850139606 /nfs/dbraw/zinc/13/96/06/850139606.db2.gz BGKORXYDRPDRKS-YUELXQCFSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832233 850139617 /nfs/dbraw/zinc/13/96/17/850139617.db2.gz BGKORXYDRPDRKS-YUELXQCFSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832233 850139623 /nfs/dbraw/zinc/13/96/23/850139623.db2.gz BGKORXYDRPDRKS-YUELXQCFSA-N 2 2 360.487 0.859 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001160175328 850156133 /nfs/dbraw/zinc/15/61/33/850156133.db2.gz LZAGMPJSICYYTH-GDBMZVCRSA-N 2 2 357.520 0.510 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001160175328 850156137 /nfs/dbraw/zinc/15/61/37/850156137.db2.gz LZAGMPJSICYYTH-GDBMZVCRSA-N 2 2 357.520 0.510 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001160175328 850156142 /nfs/dbraw/zinc/15/61/42/850156142.db2.gz LZAGMPJSICYYTH-GDBMZVCRSA-N 2 2 357.520 0.510 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC2=CC[N@@H+](CCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001160175328 850156144 /nfs/dbraw/zinc/15/61/44/850156144.db2.gz LZAGMPJSICYYTH-GDBMZVCRSA-N 2 2 357.520 0.510 20 0 FCADLP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160688692 850191384 /nfs/dbraw/zinc/19/13/84/850191384.db2.gz FJKDXSBQBQKFFZ-ZIAGYGMSSA-N 2 2 366.487 0.530 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C(C)(C)C)o2)O1 ZINC001160857544 850207556 /nfs/dbraw/zinc/20/75/56/850207556.db2.gz JRGOLZYSBCCIAQ-CHWSQXEVSA-N 2 2 353.467 0.682 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C(C)(C)C)o2)O1 ZINC001160857544 850207567 /nfs/dbraw/zinc/20/75/67/850207567.db2.gz JRGOLZYSBCCIAQ-CHWSQXEVSA-N 2 2 353.467 0.682 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160862833 850208994 /nfs/dbraw/zinc/20/89/94/850208994.db2.gz WYUMTAQQNZZGHI-JHJVBQTASA-N 2 2 355.439 0.092 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160862833 850209006 /nfs/dbraw/zinc/20/90/06/850209006.db2.gz WYUMTAQQNZZGHI-JHJVBQTASA-N 2 2 355.439 0.092 20 0 FCADLP O=C(N1CCC(Oc2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160912749 850213335 /nfs/dbraw/zinc/21/33/35/850213335.db2.gz OFQKKSFYDCWERQ-ZBEGNZNMSA-N 2 2 351.838 0.451 20 0 FCADLP CCC[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802689 862106030 /nfs/dbraw/zinc/10/60/30/862106030.db2.gz RJCKGXWEWCPROY-WMZOPIPTSA-N 2 2 350.463 0.632 20 0 FCADLP CCC[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802689 862106034 /nfs/dbraw/zinc/10/60/34/862106034.db2.gz RJCKGXWEWCPROY-WMZOPIPTSA-N 2 2 350.463 0.632 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161480168 850261983 /nfs/dbraw/zinc/26/19/83/850261983.db2.gz SWMPGUMPKFVJSQ-GUTXKFCHSA-N 2 2 360.449 0.808 20 0 FCADLP O=C(NCCC[NH2+]Cc1nccs1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996603 850341656 /nfs/dbraw/zinc/34/16/56/850341656.db2.gz WKSWRPXUNWZIBR-CABCVRRESA-N 2 2 368.503 0.619 20 0 FCADLP CCOCCN1C[C@@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)OCC1=O ZINC001277835596 862122777 /nfs/dbraw/zinc/12/27/77/862122777.db2.gz LQTMUZHMYJUFRT-AEFFLSMTSA-N 2 2 357.495 0.029 20 0 FCADLP CCOCCN1C[C@@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)OCC1=O ZINC001277835596 862122787 /nfs/dbraw/zinc/12/27/87/862122787.db2.gz LQTMUZHMYJUFRT-AEFFLSMTSA-N 2 2 357.495 0.029 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001166960533 850515282 /nfs/dbraw/zinc/51/52/82/850515282.db2.gz JIELRUGEGGLXMS-RRFJBIMHSA-N 2 2 368.503 0.444 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)C1 ZINC001172116354 850703847 /nfs/dbraw/zinc/70/38/47/850703847.db2.gz KQPFSTKATMQDTG-FCGDIQPGSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)C1 ZINC001172116354 850703857 /nfs/dbraw/zinc/70/38/57/850703857.db2.gz KQPFSTKATMQDTG-FCGDIQPGSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116354 850703862 /nfs/dbraw/zinc/70/38/62/850703862.db2.gz KQPFSTKATMQDTG-FCGDIQPGSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116354 850703873 /nfs/dbraw/zinc/70/38/73/850703873.db2.gz KQPFSTKATMQDTG-FCGDIQPGSA-N 2 2 351.491 0.951 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173569306 850727824 /nfs/dbraw/zinc/72/78/24/850727824.db2.gz GDYUSGRYHVEPIZ-DARAHFNDSA-N 2 2 354.447 0.570 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173569306 850727835 /nfs/dbraw/zinc/72/78/35/850727835.db2.gz GDYUSGRYHVEPIZ-DARAHFNDSA-N 2 2 354.447 0.570 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=S)NCC[NH+](C)C)C2)C1=O ZINC001278104683 862189597 /nfs/dbraw/zinc/18/95/97/862189597.db2.gz KTJHQXCMMPXJBS-KRWDZBQOSA-N 2 2 364.519 0.281 20 0 FCADLP C[NH+](C)CCNC(=S)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001278101196 862186898 /nfs/dbraw/zinc/18/68/98/862186898.db2.gz JPXCMTZMGQUEHP-HUUCEWRRSA-N 2 2 364.519 0.385 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403681 851246187 /nfs/dbraw/zinc/24/61/87/851246187.db2.gz UDMZISNUQFESBY-MGPQQGTHSA-N 2 2 354.476 0.529 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403681 851246198 /nfs/dbraw/zinc/24/61/98/851246198.db2.gz UDMZISNUQFESBY-MGPQQGTHSA-N 2 2 354.476 0.529 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304856 851543156 /nfs/dbraw/zinc/54/31/56/851543156.db2.gz NYOHRDLAPOCOCK-HRCADAONSA-N 2 2 350.507 0.776 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304856 851543160 /nfs/dbraw/zinc/54/31/60/851543160.db2.gz NYOHRDLAPOCOCK-HRCADAONSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304856 851543165 /nfs/dbraw/zinc/54/31/65/851543165.db2.gz NYOHRDLAPOCOCK-HRCADAONSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304856 851543171 /nfs/dbraw/zinc/54/31/71/851543171.db2.gz NYOHRDLAPOCOCK-HRCADAONSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1CCC2(CC1)OCCO2 ZINC001278230757 862266703 /nfs/dbraw/zinc/26/67/03/862266703.db2.gz FINKWZFLTWUVAY-HDICACEKSA-N 2 2 353.507 0.866 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CCC2(CC1)OCCO2 ZINC001278230757 862266716 /nfs/dbraw/zinc/26/67/16/862266716.db2.gz FINKWZFLTWUVAY-HDICACEKSA-N 2 2 353.507 0.866 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126946 851755609 /nfs/dbraw/zinc/75/56/09/851755609.db2.gz OGBVEGGZALAHSX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126946 851755613 /nfs/dbraw/zinc/75/56/13/851755613.db2.gz OGBVEGGZALAHSX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126946 851755618 /nfs/dbraw/zinc/75/56/18/851755618.db2.gz OGBVEGGZALAHSX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001189126946 851755625 /nfs/dbraw/zinc/75/56/25/851755625.db2.gz OGBVEGGZALAHSX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3nncs3)C2)CC[N@@H+]1C ZINC001190238713 851882155 /nfs/dbraw/zinc/88/21/55/851882155.db2.gz OSDAECWNUXWZNN-JHJVBQTASA-N 2 2 366.491 0.350 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3nncs3)C2)CC[N@H+]1C ZINC001190238713 851882157 /nfs/dbraw/zinc/88/21/57/851882157.db2.gz OSDAECWNUXWZNN-JHJVBQTASA-N 2 2 366.491 0.350 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)Nc3nncs3)C2)CC[NH+]1C ZINC001190238713 851882159 /nfs/dbraw/zinc/88/21/59/851882159.db2.gz OSDAECWNUXWZNN-JHJVBQTASA-N 2 2 366.491 0.350 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)Nc3nncs3)C2)CC[NH+]1C ZINC001190238713 851882160 /nfs/dbraw/zinc/88/21/60/851882160.db2.gz OSDAECWNUXWZNN-JHJVBQTASA-N 2 2 366.491 0.350 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014908 852169277 /nfs/dbraw/zinc/16/92/77/852169277.db2.gz WWSGHFKFVPXYTJ-JHJVBQTASA-N 2 2 353.385 0.211 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014908 852169280 /nfs/dbraw/zinc/16/92/80/852169280.db2.gz WWSGHFKFVPXYTJ-JHJVBQTASA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014908 852169281 /nfs/dbraw/zinc/16/92/81/852169281.db2.gz WWSGHFKFVPXYTJ-JHJVBQTASA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001192014908 852169286 /nfs/dbraw/zinc/16/92/86/852169286.db2.gz WWSGHFKFVPXYTJ-JHJVBQTASA-N 2 2 353.385 0.211 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001192640092 852268578 /nfs/dbraw/zinc/26/85/78/852268578.db2.gz PDLLUMUERFPDGB-BZUAXINKSA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001192640092 852268592 /nfs/dbraw/zinc/26/85/92/852268592.db2.gz PDLLUMUERFPDGB-BZUAXINKSA-N 2 2 350.463 0.445 20 0 FCADLP CN(CC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)C(=O)OC(C)(C)C ZINC001278481420 862346371 /nfs/dbraw/zinc/34/63/71/862346371.db2.gz XUYSXXRVRIZFGY-IYBDPMFKSA-N 2 2 356.511 0.800 20 0 FCADLP CN(CC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)C(=O)OC(C)(C)C ZINC001278481420 862346381 /nfs/dbraw/zinc/34/63/81/862346381.db2.gz XUYSXXRVRIZFGY-IYBDPMFKSA-N 2 2 356.511 0.800 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1O ZINC001193447380 852429012 /nfs/dbraw/zinc/42/90/12/852429012.db2.gz PVIOSJHJCVPSIX-USXIJHARSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1O ZINC001193447380 852429017 /nfs/dbraw/zinc/42/90/17/852429017.db2.gz PVIOSJHJCVPSIX-USXIJHARSA-N 2 2 352.454 0.731 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193780598 852486949 /nfs/dbraw/zinc/48/69/49/852486949.db2.gz CYMPWOYUUTUJJU-ZACQAIPSSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193780598 852486951 /nfs/dbraw/zinc/48/69/51/852486951.db2.gz CYMPWOYUUTUJJU-ZACQAIPSSA-N 2 2 350.463 0.547 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821465 852494491 /nfs/dbraw/zinc/49/44/91/852494491.db2.gz JKOVHJDPCHIVGK-HZPDHXFCSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821465 852494496 /nfs/dbraw/zinc/49/44/96/852494496.db2.gz JKOVHJDPCHIVGK-HZPDHXFCSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821465 852494500 /nfs/dbraw/zinc/49/45/00/852494500.db2.gz JKOVHJDPCHIVGK-HZPDHXFCSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821465 852494503 /nfs/dbraw/zinc/49/45/03/852494503.db2.gz JKOVHJDPCHIVGK-HZPDHXFCSA-N 2 2 352.504 0.906 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)o1 ZINC001193822037 852494520 /nfs/dbraw/zinc/49/45/20/852494520.db2.gz WTJHEHRBTAKBMR-HUUCEWRRSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)o1 ZINC001193822037 852494522 /nfs/dbraw/zinc/49/45/22/852494522.db2.gz WTJHEHRBTAKBMR-HUUCEWRRSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC001193822037 852494527 /nfs/dbraw/zinc/49/45/27/852494527.db2.gz WTJHEHRBTAKBMR-HUUCEWRRSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC001193822037 852494530 /nfs/dbraw/zinc/49/45/30/852494530.db2.gz WTJHEHRBTAKBMR-HUUCEWRRSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193954081 852515863 /nfs/dbraw/zinc/51/58/63/852515863.db2.gz QDXWXWOMSFVTFS-ZACQAIPSSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193954081 852515869 /nfs/dbraw/zinc/51/58/69/852515869.db2.gz QDXWXWOMSFVTFS-ZACQAIPSSA-N 2 2 352.479 0.793 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001194085538 852534255 /nfs/dbraw/zinc/53/42/55/852534255.db2.gz BSJSKMWAUAYRNL-BZUAXINKSA-N 2 2 356.511 0.133 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001194085538 852534260 /nfs/dbraw/zinc/53/42/60/852534260.db2.gz BSJSKMWAUAYRNL-BZUAXINKSA-N 2 2 356.511 0.133 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194235642 852562630 /nfs/dbraw/zinc/56/26/30/852562630.db2.gz OBSPSQPEFFNZNV-HZPDHXFCSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194235642 852562636 /nfs/dbraw/zinc/56/26/36/852562636.db2.gz OBSPSQPEFFNZNV-HZPDHXFCSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194235642 852562645 /nfs/dbraw/zinc/56/26/45/852562645.db2.gz OBSPSQPEFFNZNV-HZPDHXFCSA-N 2 2 352.479 0.937 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194235642 852562654 /nfs/dbraw/zinc/56/26/54/852562654.db2.gz OBSPSQPEFFNZNV-HZPDHXFCSA-N 2 2 352.479 0.937 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001194235158 852562840 /nfs/dbraw/zinc/56/28/40/852562840.db2.gz GIWSULSARAUGGN-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001194235158 852562842 /nfs/dbraw/zinc/56/28/42/852562842.db2.gz GIWSULSARAUGGN-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001194235158 852562846 /nfs/dbraw/zinc/56/28/46/852562846.db2.gz GIWSULSARAUGGN-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1O ZINC001194235158 852562848 /nfs/dbraw/zinc/56/28/48/852562848.db2.gz GIWSULSARAUGGN-HUUCEWRRSA-N 2 2 350.463 0.482 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251989 852566480 /nfs/dbraw/zinc/56/64/80/852566480.db2.gz VVLRBAQNHNRCNO-USXIJHARSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251989 852566486 /nfs/dbraw/zinc/56/64/86/852566486.db2.gz VVLRBAQNHNRCNO-USXIJHARSA-N 2 2 350.463 0.422 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265783 852570685 /nfs/dbraw/zinc/57/06/85/852570685.db2.gz ZACAAPNLSHLFBJ-RBSFLKMASA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265783 852570688 /nfs/dbraw/zinc/57/06/88/852570688.db2.gz ZACAAPNLSHLFBJ-RBSFLKMASA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194265783 852570691 /nfs/dbraw/zinc/57/06/91/852570691.db2.gz ZACAAPNLSHLFBJ-RBSFLKMASA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194265783 852570693 /nfs/dbraw/zinc/57/06/93/852570693.db2.gz ZACAAPNLSHLFBJ-RBSFLKMASA-N 2 2 356.511 0.135 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746052 852643526 /nfs/dbraw/zinc/64/35/26/852643526.db2.gz ROAZKJFCEULQAJ-YSVLISHTSA-N 2 2 350.463 0.084 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194746052 852643530 /nfs/dbraw/zinc/64/35/30/852643530.db2.gz ROAZKJFCEULQAJ-YSVLISHTSA-N 2 2 350.463 0.084 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001194909994 852670954 /nfs/dbraw/zinc/67/09/54/852670954.db2.gz WJSSOUUOOWJJGH-ARFHVFGLSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001194909994 852670964 /nfs/dbraw/zinc/67/09/64/852670964.db2.gz WJSSOUUOOWJJGH-ARFHVFGLSA-N 2 2 350.463 0.331 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708426 852816021 /nfs/dbraw/zinc/81/60/21/852816021.db2.gz NTZMNHJAGWJSMU-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708426 852816024 /nfs/dbraw/zinc/81/60/24/852816024.db2.gz NTZMNHJAGWJSMU-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196283330 852930628 /nfs/dbraw/zinc/93/06/28/852930628.db2.gz DAIDNRJXFZCXNE-KCYZZUKISA-N 2 2 350.463 0.502 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196283330 852930633 /nfs/dbraw/zinc/93/06/33/852930633.db2.gz DAIDNRJXFZCXNE-KCYZZUKISA-N 2 2 350.463 0.502 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001197536599 853128923 /nfs/dbraw/zinc/12/89/23/853128923.db2.gz WWYHWHLDJORSAO-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001197536599 853128927 /nfs/dbraw/zinc/12/89/27/853128927.db2.gz WWYHWHLDJORSAO-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001197536599 853128929 /nfs/dbraw/zinc/12/89/29/853128929.db2.gz WWYHWHLDJORSAO-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001197536599 853128932 /nfs/dbraw/zinc/12/89/32/853128932.db2.gz WWYHWHLDJORSAO-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926779 853187792 /nfs/dbraw/zinc/18/77/92/853187792.db2.gz WWPZANBNUGGZNT-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926779 853187797 /nfs/dbraw/zinc/18/77/97/853187797.db2.gz WWPZANBNUGGZNT-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP COC(=O)[C@H](CCSC)NC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199360272 853414072 /nfs/dbraw/zinc/41/40/72/853414072.db2.gz JUTTWDUEMUUAKQ-AWEZNQCLSA-N 2 2 366.487 0.858 20 0 FCADLP S=C(NCC[NH+]1CCCCC1)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC001200429909 853496832 /nfs/dbraw/zinc/49/68/32/853496832.db2.gz UIPAJPWUZTXVLA-UHFFFAOYSA-N 2 2 369.579 0.297 20 0 FCADLP S=C(NCC[NH+]1CCCCC1)N1CC[NH+](CCN2CCOCC2)CC1 ZINC001200429909 853496837 /nfs/dbraw/zinc/49/68/37/853496837.db2.gz UIPAJPWUZTXVLA-UHFFFAOYSA-N 2 2 369.579 0.297 20 0 FCADLP COCCOC[NH+]1CC2(C1)CC[NH+](Cc1cn3c(n1)COCC3)CC2 ZINC001278796960 862484953 /nfs/dbraw/zinc/48/49/53/862484953.db2.gz FGTIPBWFDOYYMG-UHFFFAOYSA-N 2 2 350.463 0.932 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207261860 853795004 /nfs/dbraw/zinc/79/50/04/853795004.db2.gz BLOZVASQZPKDBP-VNQPRFMTSA-N 2 2 354.474 0.914 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207261860 853795009 /nfs/dbraw/zinc/79/50/09/853795009.db2.gz BLOZVASQZPKDBP-VNQPRFMTSA-N 2 2 354.474 0.914 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207261858 853795600 /nfs/dbraw/zinc/79/56/00/853795600.db2.gz BLOZVASQZPKDBP-FVQBIDKESA-N 2 2 354.474 0.914 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207261858 853795603 /nfs/dbraw/zinc/79/56/03/853795603.db2.gz BLOZVASQZPKDBP-FVQBIDKESA-N 2 2 354.474 0.914 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC001207263295 853795686 /nfs/dbraw/zinc/79/56/86/853795686.db2.gz QNLCEXHICRALFX-OWCLPIDISA-N 2 2 358.502 0.875 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC001207263295 853795688 /nfs/dbraw/zinc/79/56/88/853795688.db2.gz QNLCEXHICRALFX-OWCLPIDISA-N 2 2 358.502 0.875 20 0 FCADLP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207687025 853841776 /nfs/dbraw/zinc/84/17/76/853841776.db2.gz XKDHWZNVZVOERJ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207687025 853841780 /nfs/dbraw/zinc/84/17/80/853841780.db2.gz XKDHWZNVZVOERJ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001207687025 853841783 /nfs/dbraw/zinc/84/17/83/853841783.db2.gz XKDHWZNVZVOERJ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001207687025 853841786 /nfs/dbraw/zinc/84/17/86/853841786.db2.gz XKDHWZNVZVOERJ-AAVRWANBSA-N 2 2 367.412 0.721 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365194 853923800 /nfs/dbraw/zinc/92/38/00/853923800.db2.gz LITBILFAHAJVOK-RBSFLKMASA-N 2 2 368.503 0.919 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365194 853923804 /nfs/dbraw/zinc/92/38/04/853923804.db2.gz LITBILFAHAJVOK-RBSFLKMASA-N 2 2 368.503 0.919 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434833 853933594 /nfs/dbraw/zinc/93/35/94/853933594.db2.gz DMMQGWSMSQJVJJ-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434833 853933599 /nfs/dbraw/zinc/93/35/99/853933599.db2.gz DMMQGWSMSQJVJJ-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]2C)C1 ZINC001208591259 853957397 /nfs/dbraw/zinc/95/73/97/853957397.db2.gz SNHOAVOJYWTOBZ-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]2C)C1 ZINC001208591259 853957403 /nfs/dbraw/zinc/95/74/03/853957403.db2.gz SNHOAVOJYWTOBZ-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]2C)C1 ZINC001208591259 853957409 /nfs/dbraw/zinc/95/74/09/853957409.db2.gz SNHOAVOJYWTOBZ-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]2C)C1 ZINC001208591259 853957414 /nfs/dbraw/zinc/95/74/14/853957414.db2.gz SNHOAVOJYWTOBZ-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001208699863 853967706 /nfs/dbraw/zinc/96/77/06/853967706.db2.gz XMGQPUYRMGPLGA-BMFZPTHFSA-N 2 2 350.463 0.673 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001208699863 853967710 /nfs/dbraw/zinc/96/77/10/853967710.db2.gz XMGQPUYRMGPLGA-BMFZPTHFSA-N 2 2 350.463 0.673 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477660 854030984 /nfs/dbraw/zinc/03/09/84/854030984.db2.gz IFOOLWDISFGOEJ-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477660 854030988 /nfs/dbraw/zinc/03/09/88/854030988.db2.gz IFOOLWDISFGOEJ-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506805 854032421 /nfs/dbraw/zinc/03/24/21/854032421.db2.gz RUWNYVDMZBIRNY-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506805 854032428 /nfs/dbraw/zinc/03/24/28/854032428.db2.gz RUWNYVDMZBIRNY-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505973 854032911 /nfs/dbraw/zinc/03/29/11/854032911.db2.gz CRJNCAMNXAYJQX-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505973 854032919 /nfs/dbraw/zinc/03/29/19/854032919.db2.gz CRJNCAMNXAYJQX-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210041469 854073411 /nfs/dbraw/zinc/07/34/11/854073411.db2.gz RWQFKKRODXWAMF-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210041469 854073413 /nfs/dbraw/zinc/07/34/13/854073413.db2.gz RWQFKKRODXWAMF-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210041469 854073420 /nfs/dbraw/zinc/07/34/20/854073420.db2.gz RWQFKKRODXWAMF-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC001210041469 854073426 /nfs/dbraw/zinc/07/34/26/854073426.db2.gz RWQFKKRODXWAMF-HZPDHXFCSA-N 2 2 361.552 0.978 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210285331 854094919 /nfs/dbraw/zinc/09/49/19/854094919.db2.gz WCHUNRGNCYBRPU-HYVNUMGLSA-N 2 2 352.479 0.433 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210285331 854094922 /nfs/dbraw/zinc/09/49/22/854094922.db2.gz WCHUNRGNCYBRPU-HYVNUMGLSA-N 2 2 352.479 0.433 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1C ZINC001210603330 854119491 /nfs/dbraw/zinc/11/94/91/854119491.db2.gz GQMUJSDMACPGOV-UKPHBRMFSA-N 2 2 350.463 0.893 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1C ZINC001210603330 854119496 /nfs/dbraw/zinc/11/94/96/854119496.db2.gz GQMUJSDMACPGOV-UKPHBRMFSA-N 2 2 350.463 0.893 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001211038300 854149082 /nfs/dbraw/zinc/14/90/82/854149082.db2.gz HVACHOUKWKYRCZ-UKRRQHHQSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001211038300 854149086 /nfs/dbraw/zinc/14/90/86/854149086.db2.gz HVACHOUKWKYRCZ-UKRRQHHQSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211054631 854151113 /nfs/dbraw/zinc/15/11/13/854151113.db2.gz RCZGEVMNCJIHLC-IJEWVQPXSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211054631 854151117 /nfs/dbraw/zinc/15/11/17/854151117.db2.gz RCZGEVMNCJIHLC-IJEWVQPXSA-N 2 2 350.463 0.888 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1=O ZINC001211366814 854181638 /nfs/dbraw/zinc/18/16/38/854181638.db2.gz KIDXUASJGXGPAW-UKRRQHHQSA-N 2 2 351.447 0.925 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1=O ZINC001211366814 854181644 /nfs/dbraw/zinc/18/16/44/854181644.db2.gz KIDXUASJGXGPAW-UKRRQHHQSA-N 2 2 351.447 0.925 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1=O ZINC001211366814 854181648 /nfs/dbraw/zinc/18/16/48/854181648.db2.gz KIDXUASJGXGPAW-UKRRQHHQSA-N 2 2 351.447 0.925 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1=O ZINC001211366814 854181653 /nfs/dbraw/zinc/18/16/53/854181653.db2.gz KIDXUASJGXGPAW-UKRRQHHQSA-N 2 2 351.447 0.925 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212353071 854447234 /nfs/dbraw/zinc/44/72/34/854447234.db2.gz JHPUTNOEDRNFHS-ARFHVFGLSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212353071 854447241 /nfs/dbraw/zinc/44/72/41/854447241.db2.gz JHPUTNOEDRNFHS-ARFHVFGLSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212353477 854448448 /nfs/dbraw/zinc/44/84/48/854448448.db2.gz RVLBPJJTWKLTCF-BFHYXJOUSA-N 2 2 369.428 0.763 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212353477 854448449 /nfs/dbraw/zinc/44/84/49/854448449.db2.gz RVLBPJJTWKLTCF-BFHYXJOUSA-N 2 2 369.428 0.763 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406298 854466468 /nfs/dbraw/zinc/46/64/68/854466468.db2.gz NTXXOMPOJFRXHQ-IXDOHACOSA-N 2 2 351.495 0.819 20 0 FCADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406298 854466472 /nfs/dbraw/zinc/46/64/72/854466472.db2.gz NTXXOMPOJFRXHQ-IXDOHACOSA-N 2 2 351.495 0.819 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428218 854474343 /nfs/dbraw/zinc/47/43/43/854474343.db2.gz SIUYMHATMSLSRF-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428218 854474344 /nfs/dbraw/zinc/47/43/44/854474344.db2.gz SIUYMHATMSLSRF-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212428218 854474345 /nfs/dbraw/zinc/47/43/45/854474345.db2.gz SIUYMHATMSLSRF-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212428218 854474346 /nfs/dbraw/zinc/47/43/46/854474346.db2.gz SIUYMHATMSLSRF-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485098 854498899 /nfs/dbraw/zinc/49/88/99/854498899.db2.gz RUFOGIVFNPPKTH-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485098 854498900 /nfs/dbraw/zinc/49/89/00/854498900.db2.gz RUFOGIVFNPPKTH-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212496079 854501746 /nfs/dbraw/zinc/50/17/46/854501746.db2.gz YANABJAYBFSZDK-HZPDHXFCSA-N 2 2 354.451 0.590 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212496079 854501751 /nfs/dbraw/zinc/50/17/51/854501751.db2.gz YANABJAYBFSZDK-HZPDHXFCSA-N 2 2 354.451 0.590 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203051 854531635 /nfs/dbraw/zinc/53/16/35/854531635.db2.gz KNCMDVXQMYGSCY-BZUAXINKSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203051 854531645 /nfs/dbraw/zinc/53/16/45/854531645.db2.gz KNCMDVXQMYGSCY-BZUAXINKSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CCC1 ZINC001213243790 854548497 /nfs/dbraw/zinc/54/84/97/854548497.db2.gz JLHBQVDNXFZKMS-BRWVUGGUSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CCC1 ZINC001213243790 854548503 /nfs/dbraw/zinc/54/85/03/854548503.db2.gz JLHBQVDNXFZKMS-BRWVUGGUSA-N 2 2 350.463 0.904 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213341997 854581895 /nfs/dbraw/zinc/58/18/95/854581895.db2.gz AFSIQOZHZXRWSS-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213341997 854581897 /nfs/dbraw/zinc/58/18/97/854581897.db2.gz AFSIQOZHZXRWSS-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347826 854584962 /nfs/dbraw/zinc/58/49/62/854584962.db2.gz ACPUVGPEWDGVRN-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347826 854584965 /nfs/dbraw/zinc/58/49/65/854584965.db2.gz ACPUVGPEWDGVRN-HUUCEWRRSA-N 2 2 357.886 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213379867 854594935 /nfs/dbraw/zinc/59/49/35/854594935.db2.gz GDESUVQHMCWUBL-MGPQQGTHSA-N 2 2 369.428 0.967 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213379867 854594938 /nfs/dbraw/zinc/59/49/38/854594938.db2.gz GDESUVQHMCWUBL-MGPQQGTHSA-N 2 2 369.428 0.967 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581384 854675096 /nfs/dbraw/zinc/67/50/96/854675096.db2.gz UZKZONNOYONVPD-HZPDHXFCSA-N 2 2 368.503 0.223 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581384 854675111 /nfs/dbraw/zinc/67/51/11/854675111.db2.gz UZKZONNOYONVPD-HZPDHXFCSA-N 2 2 368.503 0.223 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213598189 854680055 /nfs/dbraw/zinc/68/00/55/854680055.db2.gz BMGXIEPMQBEJFD-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1OC ZINC001213598189 854680059 /nfs/dbraw/zinc/68/00/59/854680059.db2.gz BMGXIEPMQBEJFD-CHWSQXEVSA-N 2 2 355.401 0.723 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671845 854709787 /nfs/dbraw/zinc/70/97/87/854709787.db2.gz UAQXTHYWWQZFKP-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671845 854709793 /nfs/dbraw/zinc/70/97/93/854709793.db2.gz UAQXTHYWWQZFKP-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671845 854709800 /nfs/dbraw/zinc/70/98/00/854709800.db2.gz UAQXTHYWWQZFKP-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671845 854709805 /nfs/dbraw/zinc/70/98/05/854709805.db2.gz UAQXTHYWWQZFKP-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769367 854759601 /nfs/dbraw/zinc/75/96/01/854759601.db2.gz RSFZMVIZMLMGCG-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769367 854759607 /nfs/dbraw/zinc/75/96/07/854759607.db2.gz RSFZMVIZMLMGCG-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213769367 854759612 /nfs/dbraw/zinc/75/96/12/854759612.db2.gz RSFZMVIZMLMGCG-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213769367 854759614 /nfs/dbraw/zinc/75/96/14/854759614.db2.gz RSFZMVIZMLMGCG-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802391 854774967 /nfs/dbraw/zinc/77/49/67/854774967.db2.gz QMNOQCRADUMQKN-IAGOWNOFSA-N 2 2 352.479 0.841 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802391 854774971 /nfs/dbraw/zinc/77/49/71/854774971.db2.gz QMNOQCRADUMQKN-IAGOWNOFSA-N 2 2 352.479 0.841 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001213925974 854827823 /nfs/dbraw/zinc/82/78/23/854827823.db2.gz ZLNBIXSQGWCARI-IXDOHACOSA-N 2 2 357.495 0.339 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001213925974 854827825 /nfs/dbraw/zinc/82/78/25/854827825.db2.gz ZLNBIXSQGWCARI-IXDOHACOSA-N 2 2 357.495 0.339 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001213925974 854827828 /nfs/dbraw/zinc/82/78/28/854827828.db2.gz ZLNBIXSQGWCARI-IXDOHACOSA-N 2 2 357.495 0.339 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001213925974 854827831 /nfs/dbraw/zinc/82/78/31/854827831.db2.gz ZLNBIXSQGWCARI-IXDOHACOSA-N 2 2 357.495 0.339 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213927509 854829461 /nfs/dbraw/zinc/82/94/61/854829461.db2.gz NMCVWGWBWKTSCE-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213927509 854829463 /nfs/dbraw/zinc/82/94/63/854829463.db2.gz NMCVWGWBWKTSCE-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213927509 854829469 /nfs/dbraw/zinc/82/94/69/854829469.db2.gz NMCVWGWBWKTSCE-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)cn1 ZINC001213927509 854829472 /nfs/dbraw/zinc/82/94/72/854829472.db2.gz NMCVWGWBWKTSCE-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929970 854831531 /nfs/dbraw/zinc/83/15/31/854831531.db2.gz TZZYYWKACBNGLD-CHWSQXEVSA-N 2 2 355.401 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929970 854831535 /nfs/dbraw/zinc/83/15/35/854831535.db2.gz TZZYYWKACBNGLD-CHWSQXEVSA-N 2 2 355.401 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929970 854831538 /nfs/dbraw/zinc/83/15/38/854831538.db2.gz TZZYYWKACBNGLD-CHWSQXEVSA-N 2 2 355.401 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929970 854831540 /nfs/dbraw/zinc/83/15/40/854831540.db2.gz TZZYYWKACBNGLD-CHWSQXEVSA-N 2 2 355.401 0.721 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268964 855092788 /nfs/dbraw/zinc/09/27/88/855092788.db2.gz FSGPZEHDOSRWOA-HUUCEWRRSA-N 2 2 356.492 0.535 20 0 FCADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216400996 855199451 /nfs/dbraw/zinc/19/94/51/855199451.db2.gz FUYMPNDVOHVNII-ZIAGYGMSSA-N 2 2 353.467 0.708 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001216561884 855212612 /nfs/dbraw/zinc/21/26/12/855212612.db2.gz ZBYGRMOJPGAYKB-BXKDBHETSA-N 2 2 361.368 0.376 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001216566353 855212740 /nfs/dbraw/zinc/21/27/40/855212740.db2.gz YZUPIYWAODERSF-BXKDBHETSA-N 2 2 363.447 0.187 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001217010228 855275003 /nfs/dbraw/zinc/27/50/03/855275003.db2.gz LGFGLVJOEFDRSQ-IJLUTSLNSA-N 2 2 361.368 0.387 20 0 FCADLP CCC/C=C/CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590162 855351497 /nfs/dbraw/zinc/35/14/97/855351497.db2.gz FHIKLFXBJLZTOI-YSEKLJNJSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C/CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217590162 855351500 /nfs/dbraw/zinc/35/15/00/855351500.db2.gz FHIKLFXBJLZTOI-YSEKLJNJSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217590162 855351502 /nfs/dbraw/zinc/35/15/02/855351502.db2.gz FHIKLFXBJLZTOI-YSEKLJNJSA-N 2 2 351.491 0.975 20 0 FCADLP CCC/C=C/CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217590162 855351505 /nfs/dbraw/zinc/35/15/05/855351505.db2.gz FHIKLFXBJLZTOI-YSEKLJNJSA-N 2 2 351.491 0.975 20 0 FCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncc(Br)nc1OCC(F)(F)F ZINC001218603999 855447606 /nfs/dbraw/zinc/44/76/06/855447606.db2.gz WKNBZGIZQIYCRH-YFKPBYRVSA-N 2 2 372.145 0.795 20 0 FCADLP CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218892933 855492118 /nfs/dbraw/zinc/49/21/18/855492118.db2.gz WRLLKYDDSZICLC-AWEZNQCLSA-N 2 2 351.432 0.010 20 0 FCADLP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218894135 855492946 /nfs/dbraw/zinc/49/29/46/855492946.db2.gz LVMXOJJQYDJVBI-ZDUSSCGKSA-N 2 2 365.459 0.615 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218918576 855495466 /nfs/dbraw/zinc/49/54/66/855495466.db2.gz GMKIBHXRNPABEE-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218918576 855495470 /nfs/dbraw/zinc/49/54/70/855495470.db2.gz GMKIBHXRNPABEE-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218918576 855495476 /nfs/dbraw/zinc/49/54/76/855495476.db2.gz GMKIBHXRNPABEE-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001218918576 855495481 /nfs/dbraw/zinc/49/54/81/855495481.db2.gz GMKIBHXRNPABEE-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)sn1 ZINC001218971267 855505386 /nfs/dbraw/zinc/50/53/86/855505386.db2.gz VUQSMXDEWWRIQG-JKSUJKDBSA-N 2 2 368.503 0.441 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)sn1 ZINC001218971267 855505389 /nfs/dbraw/zinc/50/53/89/855505389.db2.gz VUQSMXDEWWRIQG-JKSUJKDBSA-N 2 2 368.503 0.441 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001219033416 855518439 /nfs/dbraw/zinc/51/84/39/855518439.db2.gz KEOGLXZWUBJECB-UONOGXRCSA-N 2 2 358.389 0.385 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001219033416 855518441 /nfs/dbraw/zinc/51/84/41/855518441.db2.gz KEOGLXZWUBJECB-UONOGXRCSA-N 2 2 358.389 0.385 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052309 855528059 /nfs/dbraw/zinc/52/80/59/855528059.db2.gz SKJCEVXATMYACP-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052309 855528061 /nfs/dbraw/zinc/52/80/61/855528061.db2.gz SKJCEVXATMYACP-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052309 855528063 /nfs/dbraw/zinc/52/80/63/855528063.db2.gz SKJCEVXATMYACP-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052309 855528065 /nfs/dbraw/zinc/52/80/65/855528065.db2.gz SKJCEVXATMYACP-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001219567573 855717951 /nfs/dbraw/zinc/71/79/51/855717951.db2.gz PBKAAPFIGNCJKK-QGZVFWFLSA-N 3 2 350.463 0.080 20 0 FCADLP [NH3+]C1(C(=O)N[C@@H](CO)[C@@H](O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001219580096 855721480 /nfs/dbraw/zinc/72/14/80/855721480.db2.gz JPPUNBZCFASCLZ-STQMWFEESA-N 2 2 372.263 0.041 20 0 FCADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001219616723 855735988 /nfs/dbraw/zinc/73/59/88/855735988.db2.gz CAXPJWOCRABFPZ-XYJFISCASA-N 2 2 351.422 0.066 20 0 FCADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001219616723 855735992 /nfs/dbraw/zinc/73/59/92/855735992.db2.gz CAXPJWOCRABFPZ-XYJFISCASA-N 2 2 351.422 0.066 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001219724586 855785255 /nfs/dbraw/zinc/78/52/55/855785255.db2.gz SJSISZAIFWBKJJ-ZNMIVQPWSA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001219724586 855785262 /nfs/dbraw/zinc/78/52/62/855785262.db2.gz SJSISZAIFWBKJJ-ZNMIVQPWSA-N 2 2 358.483 0.793 20 0 FCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccc(Br)cc1 ZINC001219764752 855803077 /nfs/dbraw/zinc/80/30/77/855803077.db2.gz KZRYKRJNESLIRJ-UGFHNGPFSA-N 2 2 367.291 0.859 20 0 FCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccc(Br)cc1 ZINC001219764752 855803081 /nfs/dbraw/zinc/80/30/81/855803081.db2.gz KZRYKRJNESLIRJ-UGFHNGPFSA-N 2 2 367.291 0.859 20 0 FCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccc(Br)cc1 ZINC001219764752 855803086 /nfs/dbraw/zinc/80/30/86/855803086.db2.gz KZRYKRJNESLIRJ-UGFHNGPFSA-N 2 2 367.291 0.859 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219774624 855808638 /nfs/dbraw/zinc/80/86/38/855808638.db2.gz VTKGKYVWXSYRQG-ZACQAIPSSA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219774624 855808639 /nfs/dbraw/zinc/80/86/39/855808639.db2.gz VTKGKYVWXSYRQG-ZACQAIPSSA-N 2 2 350.463 0.445 20 0 FCADLP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800312 855819881 /nfs/dbraw/zinc/81/98/81/855819881.db2.gz LGVYMEXMQGRVFV-ZACQAIPSSA-N 2 2 351.495 0.555 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800312 855819885 /nfs/dbraw/zinc/81/98/85/855819885.db2.gz LGVYMEXMQGRVFV-ZACQAIPSSA-N 2 2 351.495 0.555 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CCC1 ZINC001219802511 855820459 /nfs/dbraw/zinc/82/04/59/855820459.db2.gz RINMJQLXBSKOFJ-KGLIPLIRSA-N 2 2 355.870 0.182 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CCC1 ZINC001219802511 855820466 /nfs/dbraw/zinc/82/04/66/855820466.db2.gz RINMJQLXBSKOFJ-KGLIPLIRSA-N 2 2 355.870 0.182 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815904 855829829 /nfs/dbraw/zinc/82/98/29/855829829.db2.gz QCZRVHOKNYKQDB-CVEARBPZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815904 855829832 /nfs/dbraw/zinc/82/98/32/855829832.db2.gz QCZRVHOKNYKQDB-CVEARBPZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815904 855829837 /nfs/dbraw/zinc/82/98/37/855829837.db2.gz QCZRVHOKNYKQDB-CVEARBPZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815904 855829842 /nfs/dbraw/zinc/82/98/42/855829842.db2.gz QCZRVHOKNYKQDB-CVEARBPZSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)s1 ZINC001219829706 855835274 /nfs/dbraw/zinc/83/52/74/855835274.db2.gz BQBJDJLFLPJXBC-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)s1 ZINC001219829706 855835278 /nfs/dbraw/zinc/83/52/78/855835278.db2.gz BQBJDJLFLPJXBC-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)s1 ZINC001219829706 855835279 /nfs/dbraw/zinc/83/52/79/855835279.db2.gz BQBJDJLFLPJXBC-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)s1 ZINC001219829706 855835281 /nfs/dbraw/zinc/83/52/81/855835281.db2.gz BQBJDJLFLPJXBC-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846909 855842979 /nfs/dbraw/zinc/84/29/79/855842979.db2.gz JJZRDIYDFSWKHU-VYDXJSESSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846909 855842982 /nfs/dbraw/zinc/84/29/82/855842982.db2.gz JJZRDIYDFSWKHU-VYDXJSESSA-N 2 2 352.479 0.793 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874896 855857005 /nfs/dbraw/zinc/85/70/05/855857005.db2.gz HLHRGSHTNABPKJ-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874896 855857010 /nfs/dbraw/zinc/85/70/10/855857010.db2.gz HLHRGSHTNABPKJ-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896760 855869254 /nfs/dbraw/zinc/86/92/54/855869254.db2.gz IBQUMUMZYXRWQS-MJBXVCDLSA-N 2 2 356.511 0.181 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896760 855869260 /nfs/dbraw/zinc/86/92/60/855869260.db2.gz IBQUMUMZYXRWQS-MJBXVCDLSA-N 2 2 356.511 0.181 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896760 855869265 /nfs/dbraw/zinc/86/92/65/855869265.db2.gz IBQUMUMZYXRWQS-MJBXVCDLSA-N 2 2 356.511 0.181 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896760 855869272 /nfs/dbraw/zinc/86/92/72/855869272.db2.gz IBQUMUMZYXRWQS-MJBXVCDLSA-N 2 2 356.511 0.181 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119425 855969345 /nfs/dbraw/zinc/96/93/45/855969345.db2.gz MTXJIDSCSODCPK-ILXRZTDVSA-N 2 2 354.495 0.066 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119425 855969350 /nfs/dbraw/zinc/96/93/50/855969350.db2.gz MTXJIDSCSODCPK-ILXRZTDVSA-N 2 2 354.495 0.066 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220188681 856000213 /nfs/dbraw/zinc/00/02/13/856000213.db2.gz GMLGWRGDIFYMKL-KBPBESRZSA-N 2 2 354.401 0.034 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220188281 856000690 /nfs/dbraw/zinc/00/06/90/856000690.db2.gz ACLYZIOJMVGHSI-KGLIPLIRSA-N 2 2 354.401 0.034 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220228871 856022405 /nfs/dbraw/zinc/02/24/05/856022405.db2.gz BBWNHBUDAPGNNV-NEPJUHHUSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220228871 856022410 /nfs/dbraw/zinc/02/24/10/856022410.db2.gz BBWNHBUDAPGNNV-NEPJUHHUSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220237865 856026027 /nfs/dbraw/zinc/02/60/27/856026027.db2.gz GPRPNOGOLHHVKC-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220237865 856026037 /nfs/dbraw/zinc/02/60/37/856026037.db2.gz GPRPNOGOLHHVKC-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220273439 856038917 /nfs/dbraw/zinc/03/89/17/856038917.db2.gz KZTGYXDMMKMLKK-PMPSAXMXSA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220273439 856038926 /nfs/dbraw/zinc/03/89/26/856038926.db2.gz KZTGYXDMMKMLKK-PMPSAXMXSA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220276671 856040324 /nfs/dbraw/zinc/04/03/24/856040324.db2.gz HPCFZFNCQIFNAM-OAGGEKHMSA-N 2 2 355.866 0.486 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220276671 856040328 /nfs/dbraw/zinc/04/03/28/856040328.db2.gz HPCFZFNCQIFNAM-OAGGEKHMSA-N 2 2 355.866 0.486 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@@H]1O ZINC001220274844 856040586 /nfs/dbraw/zinc/04/05/86/856040586.db2.gz GJCIWXDEAQGYSB-CVEARBPZSA-N 2 2 367.877 0.888 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)C[C@@H]1O ZINC001220274844 856040589 /nfs/dbraw/zinc/04/05/89/856040589.db2.gz GJCIWXDEAQGYSB-CVEARBPZSA-N 2 2 367.877 0.888 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)s1 ZINC001220553745 856181302 /nfs/dbraw/zinc/18/13/02/856181302.db2.gz RGPMNDWLNFGKNW-CABCVRRESA-N 2 2 368.503 0.144 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)s1 ZINC001220553745 856181307 /nfs/dbraw/zinc/18/13/07/856181307.db2.gz RGPMNDWLNFGKNW-CABCVRRESA-N 2 2 368.503 0.144 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)n1 ZINC001220578563 856192898 /nfs/dbraw/zinc/19/28/98/856192898.db2.gz HBZSSZRZDFHYIH-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)n1 ZINC001220578563 856192901 /nfs/dbraw/zinc/19/29/01/856192901.db2.gz HBZSSZRZDFHYIH-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccc(Br)cc1 ZINC001220607938 856204974 /nfs/dbraw/zinc/20/49/74/856204974.db2.gz QBYPRNMFRYWJPX-CXTNEJHOSA-N 3 2 353.264 0.787 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)s1 ZINC001220638128 856215779 /nfs/dbraw/zinc/21/57/79/856215779.db2.gz STUHMZFJKXLRRH-CVEARBPZSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)s1 ZINC001220638128 856215785 /nfs/dbraw/zinc/21/57/85/856215785.db2.gz STUHMZFJKXLRRH-CVEARBPZSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(Cl)c1 ZINC001220768478 856289115 /nfs/dbraw/zinc/28/91/15/856289115.db2.gz NZGPUJTYZISLGS-SJORKVTESA-N 2 2 369.893 0.888 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)c(Cl)c1 ZINC001220768478 856289123 /nfs/dbraw/zinc/28/91/23/856289123.db2.gz NZGPUJTYZISLGS-SJORKVTESA-N 2 2 369.893 0.888 20 0 FCADLP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220800035 856306492 /nfs/dbraw/zinc/30/64/92/856306492.db2.gz KRZDZFZTWKKVDH-DHSIGJKJSA-N 2 2 365.861 0.882 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799246 856306781 /nfs/dbraw/zinc/30/67/81/856306781.db2.gz SAXBUALTJRYCCP-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799246 856306786 /nfs/dbraw/zinc/30/67/86/856306786.db2.gz SAXBUALTJRYCCP-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220800439 856307196 /nfs/dbraw/zinc/30/71/96/856307196.db2.gz QVHOJPQLOZIWID-ARLBYUKCSA-N 2 2 365.861 0.880 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001220809304 856311740 /nfs/dbraw/zinc/31/17/40/856311740.db2.gz RYBWEENVKJDCEP-CABCVRRESA-N 2 2 357.886 0.430 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001220809304 856311743 /nfs/dbraw/zinc/31/17/43/856311743.db2.gz RYBWEENVKJDCEP-CABCVRRESA-N 2 2 357.886 0.430 20 0 FCADLP CSc1ncc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)c(N)n1 ZINC001279245833 862786032 /nfs/dbraw/zinc/78/60/32/862786032.db2.gz HYIPLNFWHLNSIS-CHWSQXEVSA-N 2 2 362.503 0.423 20 0 FCADLP CSc1ncc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)c(N)n1 ZINC001279245833 862786040 /nfs/dbraw/zinc/78/60/40/862786040.db2.gz HYIPLNFWHLNSIS-CHWSQXEVSA-N 2 2 362.503 0.423 20 0 FCADLP N[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC001220918766 856373910 /nfs/dbraw/zinc/37/39/10/856373910.db2.gz FUUZVLTTWOWMDU-HOCLYGCPSA-N 2 2 367.291 0.830 20 0 FCADLP N[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC001220918766 856373916 /nfs/dbraw/zinc/37/39/16/856373916.db2.gz FUUZVLTTWOWMDU-HOCLYGCPSA-N 2 2 367.291 0.830 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220919074 856374609 /nfs/dbraw/zinc/37/46/09/856374609.db2.gz RNPWGDGSWXLCCV-RRFJBIMHSA-N 2 2 368.275 0.862 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220919074 856374616 /nfs/dbraw/zinc/37/46/16/856374616.db2.gz RNPWGDGSWXLCCV-RRFJBIMHSA-N 2 2 368.275 0.862 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221068587 856447612 /nfs/dbraw/zinc/44/76/12/856447612.db2.gz UXRUDOFTJLNJCB-SJORKVTESA-N 2 2 350.463 0.829 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221068587 856447619 /nfs/dbraw/zinc/44/76/19/856447619.db2.gz UXRUDOFTJLNJCB-SJORKVTESA-N 2 2 350.463 0.829 20 0 FCADLP CC(C)CC1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCS(=O)(=O)CC1 ZINC001221214839 856520084 /nfs/dbraw/zinc/52/00/84/856520084.db2.gz KGJKBFOSHKOFAH-AWEZNQCLSA-N 2 2 356.492 0.400 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001221257013 856531183 /nfs/dbraw/zinc/53/11/83/856531183.db2.gz VAJXAFDXMJZEFP-KBPBESRZSA-N 2 2 350.444 0.642 20 0 FCADLP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)C[NH2+]CCC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221262790 856532697 /nfs/dbraw/zinc/53/26/97/856532697.db2.gz PPAQLLOWTPLCPT-SECBINFHSA-N 3 2 364.418 0.216 20 0 FCADLP [NH3+]CCCP(CCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001221272175 856534460 /nfs/dbraw/zinc/53/44/60/856534460.db2.gz XXUHBZSPLJGMEB-XNIFBDIYSA-N 3 2 362.458 0.600 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC001221331832 856550461 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OPMGXHXYLRQNKO-HUUCEWRRSA-N 2 2 361.433 0.523 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221968450 856752749 /nfs/dbraw/zinc/75/27/49/856752749.db2.gz OTFDBFKQWOXJEB-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221968450 856752759 /nfs/dbraw/zinc/75/27/59/856752759.db2.gz OTFDBFKQWOXJEB-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221968450 856752766 /nfs/dbraw/zinc/75/27/66/856752766.db2.gz OTFDBFKQWOXJEB-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001221968450 856752772 /nfs/dbraw/zinc/75/27/72/856752772.db2.gz OTFDBFKQWOXJEB-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001221968542 856752952 /nfs/dbraw/zinc/75/29/52/856752952.db2.gz ROUFXGHDIXLLAZ-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP 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2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ncccc1F)C2 ZINC001275437727 861096565 /nfs/dbraw/zinc/09/65/65/861096565.db2.gz IQYBCBCUTHRNEN-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP COC(C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1)OC ZINC001275493732 861111477 /nfs/dbraw/zinc/11/14/77/861111477.db2.gz ODFWNVWLJPZXSR-QGZVFWFLSA-N 2 2 350.419 0.380 20 0 FCADLP COC(C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1)OC ZINC001275493732 861111484 /nfs/dbraw/zinc/11/14/84/861111484.db2.gz ODFWNVWLJPZXSR-QGZVFWFLSA-N 2 2 350.419 0.380 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCSC23C[NH+](Cc2ccnnc2)C3)CC1 ZINC001279858847 863101980 /nfs/dbraw/zinc/10/19/80/863101980.db2.gz ANWIHFHMTZUBHH-MRXNPFEDSA-N 2 2 361.515 0.995 20 0 FCADLP c1cn(CCN2CCO[C@]3(CCC[N@H+](C[C@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028641 863203028 /nfs/dbraw/zinc/20/30/28/863203028.db2.gz OAGXEBRRMVJEJC-ZWKOTPCHSA-N 2 2 350.463 0.465 20 0 FCADLP c1cn(CCN2CCO[C@]3(CCC[N@@H+](C[C@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028641 863203048 /nfs/dbraw/zinc/20/30/48/863203048.db2.gz OAGXEBRRMVJEJC-ZWKOTPCHSA-N 2 2 350.463 0.465 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C2CC[NH+](C)CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280071246 863242811 /nfs/dbraw/zinc/24/28/11/863242811.db2.gz OFCQTMDUMYOJEM-IBGZPJMESA-N 3 2 351.539 0.299 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C2CC[NH+](C)CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280071246 863242825 /nfs/dbraw/zinc/24/28/25/863242825.db2.gz OFCQTMDUMYOJEM-IBGZPJMESA-N 3 2 351.539 0.299 20 0 FCADLP CN1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073601 863244858 /nfs/dbraw/zinc/24/48/58/863244858.db2.gz FLYHGGVRCTZSPG-IBGZPJMESA-N 2 2 351.539 0.110 20 0 FCADLP CN1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073601 863244864 /nfs/dbraw/zinc/24/48/64/863244864.db2.gz FLYHGGVRCTZSPG-IBGZPJMESA-N 2 2 351.539 0.110 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280081538 863252138 /nfs/dbraw/zinc/25/21/38/863252138.db2.gz UFZXDOUZLIXTKI-KSZLIROESA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280081538 863252153 /nfs/dbraw/zinc/25/21/53/863252153.db2.gz UFZXDOUZLIXTKI-KSZLIROESA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280189497 863318544 /nfs/dbraw/zinc/31/85/44/863318544.db2.gz UZSVHRLTYNEKCJ-BBWFWOEESA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001280189497 863318560 /nfs/dbraw/zinc/31/85/60/863318560.db2.gz UZSVHRLTYNEKCJ-BBWFWOEESA-N 2 2 351.491 0.401 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CCC3(C[NH+](C[C@@H]4CCCO4)C3)O2)CC1 ZINC001280191914 863321559 /nfs/dbraw/zinc/32/15/59/863321559.db2.gz IPIBAZZGMZCEDG-DLBZAZTESA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCC3(C[NH+](C[C@@H]4CCCCO4)C3)O2)CC1 ZINC001280206373 863336671 /nfs/dbraw/zinc/33/66/71/863336671.db2.gz YHOJKDDDUBPWCW-DLBZAZTESA-N 2 2 351.491 0.999 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262371 863368654 /nfs/dbraw/zinc/36/86/54/863368654.db2.gz ZIPQXBBRZROALX-HOTGVXAUSA-N 2 2 371.547 0.591 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262371 863368659 /nfs/dbraw/zinc/36/86/59/863368659.db2.gz ZIPQXBBRZROALX-HOTGVXAUSA-N 2 2 371.547 0.591 20 0 FCADLP Cn1cncc1C[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001280291374 863380424 /nfs/dbraw/zinc/38/04/24/863380424.db2.gz PQLGGWCZVHDSOW-INIZCTEOSA-N 2 2 363.531 0.938 20 0 FCADLP COCCn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC001292416460 865742257 /nfs/dbraw/zinc/74/22/57/865742257.db2.gz AUXLKDUMLXJDMS-UHFFFAOYSA-N 2 2 350.467 0.213 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccco1 ZINC001349064034 866222219 /nfs/dbraw/zinc/22/22/19/866222219.db2.gz CXUHEOXOVJSVQL-AWEZNQCLSA-N 2 2 352.435 0.630 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccco1 ZINC001349064034 866222233 /nfs/dbraw/zinc/22/22/33/866222233.db2.gz CXUHEOXOVJSVQL-AWEZNQCLSA-N 2 2 352.435 0.630 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001309048715 866734228 /nfs/dbraw/zinc/73/42/28/866734228.db2.gz UFHQJAVBNQGKLU-UHFFFAOYSA-N 2 2 366.531 0.995 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001309048715 866734245 /nfs/dbraw/zinc/73/42/45/866734245.db2.gz UFHQJAVBNQGKLU-UHFFFAOYSA-N 2 2 366.531 0.995 20 0 FCADLP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC001351129563 866786909 /nfs/dbraw/zinc/78/69/09/866786909.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC001351129563 866786926 /nfs/dbraw/zinc/78/69/26/866786926.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001351129563 866786937 /nfs/dbraw/zinc/78/69/37/866786937.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001351129563 866786943 /nfs/dbraw/zinc/78/69/43/866786943.db2.gz KYMQADDWNWLVFX-IXDOHACOSA-N 2 2 355.527 0.421 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001351421360 866856248 /nfs/dbraw/zinc/85/62/48/866856248.db2.gz NLIJUPFFYLWVGN-INIZCTEOSA-N 2 2 352.479 0.751 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001351421360 866856259 /nfs/dbraw/zinc/85/62/59/866856259.db2.gz NLIJUPFFYLWVGN-INIZCTEOSA-N 2 2 352.479 0.751 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001351421360 866856272 /nfs/dbraw/zinc/85/62/72/866856272.db2.gz NLIJUPFFYLWVGN-INIZCTEOSA-N 2 2 352.479 0.751 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001351421360 866856283 /nfs/dbraw/zinc/85/62/83/866856283.db2.gz NLIJUPFFYLWVGN-INIZCTEOSA-N 2 2 352.479 0.751 20 0 FCADLP COc1nc(Cl)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1C ZINC001353034050 867328566 /nfs/dbraw/zinc/32/85/66/867328566.db2.gz GEBSEGDTERKRMB-AWEZNQCLSA-N 2 2 371.913 0.968 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(CN2CCS(=O)CC2)cc1)C1CC1 ZINC001353363527 867407352 /nfs/dbraw/zinc/40/73/52/867407352.db2.gz GXDFNXYXFFCZMS-LJQANCHMSA-N 2 2 365.543 0.796 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(CN2CCS(=O)CC2)cc1)C1CC1 ZINC001353363527 867407360 /nfs/dbraw/zinc/40/73/60/867407360.db2.gz GXDFNXYXFFCZMS-LJQANCHMSA-N 2 2 365.543 0.796 20 0 FCADLP COC[C@@H](O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317870621 867568957 /nfs/dbraw/zinc/56/89/57/867568957.db2.gz VFYIJIZEXQLEDY-ARFHVFGLSA-N 2 2 350.463 0.691 20 0 FCADLP COC[C@@H](O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001317870621 867568972 /nfs/dbraw/zinc/56/89/72/867568972.db2.gz VFYIJIZEXQLEDY-ARFHVFGLSA-N 2 2 350.463 0.691 20 0 FCADLP COC[C@@H](O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317870621 867568984 /nfs/dbraw/zinc/56/89/84/867568984.db2.gz VFYIJIZEXQLEDY-ARFHVFGLSA-N 2 2 350.463 0.691 20 0 FCADLP COC[C@@H](O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001317870621 867568997 /nfs/dbraw/zinc/56/89/97/867568997.db2.gz VFYIJIZEXQLEDY-ARFHVFGLSA-N 2 2 350.463 0.691 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001318857487 867766523 /nfs/dbraw/zinc/76/65/23/867766523.db2.gz OJSDJKVMHDCUGN-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001318857487 867766529 /nfs/dbraw/zinc/76/65/29/867766529.db2.gz OJSDJKVMHDCUGN-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](C(=O)NCc1ccco1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001319924942 868035570 /nfs/dbraw/zinc/03/55/70/868035570.db2.gz WDKSSIFHOMRWMS-OAHLLOKOSA-N 2 2 351.447 0.443 20 0 FCADLP C[C@]1(C2CCN(C(=O)NCC[NH+]3CCC([NH3+])CC3)CC2)COC(=O)N1 ZINC001357583217 868137455 /nfs/dbraw/zinc/13/74/55/868137455.db2.gz UEVSKHWGCRDMCK-QGZVFWFLSA-N 2 2 353.467 0.330 20 0 FCADLP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001357938000 868164735 /nfs/dbraw/zinc/16/47/35/868164735.db2.gz HNYQJVCYCNJVNU-MFKMUULPSA-N 2 2 358.236 0.562 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC=C(F)C3)CC2)CC1 ZINC001326000535 870133815 /nfs/dbraw/zinc/13/38/15/870133815.db2.gz ZXMZAZAIRFTHRQ-UHFFFAOYSA-N 2 2 352.454 0.747 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001326094646 870165722 /nfs/dbraw/zinc/16/57/22/870165722.db2.gz MBIYAKHFWWLLGN-KLHDSHLOSA-N 2 2 373.519 0.041 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326215117 870211478 /nfs/dbraw/zinc/21/14/78/870211478.db2.gz FDFNXPLZJSAJPK-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326215117 870211491 /nfs/dbraw/zinc/21/14/91/870211491.db2.gz FDFNXPLZJSAJPK-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001326451714 870323715 /nfs/dbraw/zinc/32/37/15/870323715.db2.gz QJYQDGDOJVHMCT-GJZGRUSLSA-N 2 2 356.486 0.868 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001326451714 870323731 /nfs/dbraw/zinc/32/37/31/870323731.db2.gz QJYQDGDOJVHMCT-GJZGRUSLSA-N 2 2 356.486 0.868 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC001327169671 870699287 /nfs/dbraw/zinc/69/92/87/870699287.db2.gz CZHVDQJVRHUPCN-UHFFFAOYSA-N 2 2 357.520 0.486 20 0 FCADLP CCC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC001327816475 871096562 /nfs/dbraw/zinc/09/65/62/871096562.db2.gz TVJMVFMOCFBXAW-OAHLLOKOSA-N 2 2 360.524 0.118 20 0 FCADLP CN(CC1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328843519 871661463 /nfs/dbraw/zinc/66/14/63/871661463.db2.gz KCGVDBDKZBBLRN-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328843519 871661466 /nfs/dbraw/zinc/66/14/66/871661466.db2.gz KCGVDBDKZBBLRN-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346160462 871677044 /nfs/dbraw/zinc/67/70/44/871677044.db2.gz SCSMUZIWJOXDCZ-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346160462 871677054 /nfs/dbraw/zinc/67/70/54/871677054.db2.gz SCSMUZIWJOXDCZ-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP CN(C(=O)C(=O)NCCC(C)(C)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329154763 871853587 /nfs/dbraw/zinc/85/35/87/871853587.db2.gz XTIOFOOSVJKYDM-OAHLLOKOSA-N 2 2 356.486 0.868 20 0 FCADLP CN(C(=O)C(=O)NCCC(C)(C)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329154763 871853600 /nfs/dbraw/zinc/85/36/00/871853600.db2.gz XTIOFOOSVJKYDM-OAHLLOKOSA-N 2 2 356.486 0.868 20 0 FCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001331623045 873166260 /nfs/dbraw/zinc/16/62/60/873166260.db2.gz AVFLIVXEZBKKMV-BFYDXBDKSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001331623045 873166268 /nfs/dbraw/zinc/16/62/68/873166268.db2.gz AVFLIVXEZBKKMV-BFYDXBDKSA-N 2 2 350.507 0.822 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(C)(F)CC1 ZINC001332001993 873330208 /nfs/dbraw/zinc/33/02/08/873330208.db2.gz XRPNJYRPGDPZNR-UHFFFAOYSA-N 2 2 356.486 0.821 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(C)(F)CC1 ZINC001332001993 873330224 /nfs/dbraw/zinc/33/02/24/873330224.db2.gz XRPNJYRPGDPZNR-UHFFFAOYSA-N 2 2 356.486 0.821 20 0 FCADLP COC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826149287 947476712 /nfs/dbraw/zinc/47/67/12/947476712.db2.gz DYAGVUHRBYWFAT-KRWDZBQOSA-N 2 2 360.462 0.818 20 0 FCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918599 948852720 /nfs/dbraw/zinc/85/27/20/948852720.db2.gz OLIVBTOSAFYTED-CYBMUJFWSA-N 2 2 369.433 0.525 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574947424 949449502 /nfs/dbraw/zinc/44/95/02/949449502.db2.gz ARJDFWBTJYNDSC-NSHDSACASA-N 2 2 358.381 0.497 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948493 949469309 /nfs/dbraw/zinc/46/93/09/949469309.db2.gz JVPPNODQVDMNAL-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948493 949469326 /nfs/dbraw/zinc/46/93/26/949469326.db2.gz JVPPNODQVDMNAL-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574730836 950037823 /nfs/dbraw/zinc/03/78/23/950037823.db2.gz CDPRFKIFXXWSMQ-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203726 950447883 /nfs/dbraw/zinc/44/78/83/950447883.db2.gz IVDKLTVVYBQDEE-SCLBCKFNSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203726 950447892 /nfs/dbraw/zinc/44/78/92/950447892.db2.gz IVDKLTVVYBQDEE-SCLBCKFNSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205326 950506797 /nfs/dbraw/zinc/50/67/97/950506797.db2.gz XGHACIWMEGKFMK-STQMWFEESA-N 2 2 358.450 0.544 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576205326 950506813 /nfs/dbraw/zinc/50/68/13/950506813.db2.gz XGHACIWMEGKFMK-STQMWFEESA-N 2 2 358.450 0.544 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981789 950613547 /nfs/dbraw/zinc/61/35/47/950613547.db2.gz UZSNAWKEXKSZLG-SWLSCSKDSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981789 950613564 /nfs/dbraw/zinc/61/35/64/950613564.db2.gz UZSNAWKEXKSZLG-SWLSCSKDSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001571026351 951476053 /nfs/dbraw/zinc/47/60/53/951476053.db2.gz ZXONSIZNJKCBLQ-HNNXBMFYSA-N 2 2 366.429 0.796 20 0 FCADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001571026351 951476057 /nfs/dbraw/zinc/47/60/57/951476057.db2.gz ZXONSIZNJKCBLQ-HNNXBMFYSA-N 2 2 366.429 0.796 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571038224 951640934 /nfs/dbraw/zinc/64/09/34/951640934.db2.gz REDGLFMQZTVVIF-DGCLKSJQSA-N 2 2 367.417 0.290 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089672 951750760 /nfs/dbraw/zinc/75/07/60/951750760.db2.gz HEUHWWWDASTPHL-LBPRGKRZSA-N 2 2 354.418 0.674 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575094839 951807227 /nfs/dbraw/zinc/80/72/27/951807227.db2.gz PZCVJVAMRYXYDU-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571070523 952040781 /nfs/dbraw/zinc/04/07/81/952040781.db2.gz NMHIGSKUCKNZAX-AWEZNQCLSA-N 2 2 370.392 0.593 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078885 952134479 /nfs/dbraw/zinc/13/44/79/952134479.db2.gz WSLOTKRLHHJKBC-OAHLLOKOSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078885 952134484 /nfs/dbraw/zinc/13/44/84/952134484.db2.gz WSLOTKRLHHJKBC-OAHLLOKOSA-N 2 2 370.461 0.831 20 0 FCADLP CCNC(=O)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000293182550 214151779 /nfs/dbraw/zinc/15/17/79/214151779.db2.gz HINZJQRWFUDXIZ-SFHVURJKSA-N 2 2 361.490 0.871 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000294243689 214232722 /nfs/dbraw/zinc/23/27/22/214232722.db2.gz YKMYEVLVYGIQQK-AWEZNQCLSA-N 2 2 358.446 0.333 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cn2cc[nH+]c12 ZINC000295016587 214274178 /nfs/dbraw/zinc/27/41/78/214274178.db2.gz NDYKQOWOLKOMME-UHFFFAOYSA-N 2 2 374.489 0.923 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)cn2cc[nH+]c12 ZINC000295016587 214274181 /nfs/dbraw/zinc/27/41/81/214274181.db2.gz NDYKQOWOLKOMME-UHFFFAOYSA-N 2 2 374.489 0.923 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)cn2cc[nH+]c12 ZINC000295016587 214274182 /nfs/dbraw/zinc/27/41/82/214274182.db2.gz NDYKQOWOLKOMME-UHFFFAOYSA-N 2 2 374.489 0.923 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410626203 529404721 /nfs/dbraw/zinc/40/47/21/529404721.db2.gz YREQMNUSTRTZLN-ZACQAIPSSA-N 2 2 364.490 0.005 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410626203 529404723 /nfs/dbraw/zinc/40/47/23/529404723.db2.gz YREQMNUSTRTZLN-ZACQAIPSSA-N 2 2 364.490 0.005 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613060 529404759 /nfs/dbraw/zinc/40/47/59/529404759.db2.gz CROSPPPGTQTYDS-HZPDHXFCSA-N 2 2 374.489 0.139 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613060 529404762 /nfs/dbraw/zinc/40/47/62/529404762.db2.gz CROSPPPGTQTYDS-HZPDHXFCSA-N 2 2 374.489 0.139 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000410873439 529696642 /nfs/dbraw/zinc/69/66/42/529696642.db2.gz WTOIZKNSQIDADD-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000291057405 214010591 /nfs/dbraw/zinc/01/05/91/214010591.db2.gz BHYQEYPAEVYBAP-UHFFFAOYSA-N 2 2 363.462 0.553 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000265691931 210198930 /nfs/dbraw/zinc/19/89/30/210198930.db2.gz WLFYGSGYDAWYLL-GOSISDBHSA-N 2 2 374.485 0.411 20 0 FCADLP C[C@@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000265681073 210195681 /nfs/dbraw/zinc/19/56/81/210195681.db2.gz FBTBFUIMOBEAID-IBGZPJMESA-N 2 2 373.545 0.903 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000265658098 210189034 /nfs/dbraw/zinc/18/90/34/210189034.db2.gz RCTSDBDXWVBTAY-GOSISDBHSA-N 2 2 358.486 0.802 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000265658098 210189040 /nfs/dbraw/zinc/18/90/40/210189040.db2.gz RCTSDBDXWVBTAY-GOSISDBHSA-N 2 2 358.486 0.802 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265647302 210188084 /nfs/dbraw/zinc/18/80/84/210188084.db2.gz MLIQPBOPXOUDKU-NXHRZFHOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265647302 210188085 /nfs/dbraw/zinc/18/80/85/210188085.db2.gz MLIQPBOPXOUDKU-NXHRZFHOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@H]1CCN(C)C1=O ZINC000265647302 210188091 /nfs/dbraw/zinc/18/80/91/210188091.db2.gz MLIQPBOPXOUDKU-NXHRZFHOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@H]1CCN(C)C1=O ZINC000265647302 210188094 /nfs/dbraw/zinc/18/80/94/210188094.db2.gz MLIQPBOPXOUDKU-NXHRZFHOSA-N 2 2 358.486 0.928 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410555461 529886392 /nfs/dbraw/zinc/88/63/92/529886392.db2.gz HHMBYVQJOWLUIB-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410555461 529886393 /nfs/dbraw/zinc/88/63/93/529886393.db2.gz HHMBYVQJOWLUIB-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410796189 529897525 /nfs/dbraw/zinc/89/75/25/529897525.db2.gz ZFLHWBGVUZPITD-MRXNPFEDSA-N 2 2 357.414 0.807 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@H]1C1CC1 ZINC000410745722 529903155 /nfs/dbraw/zinc/90/31/55/529903155.db2.gz OZVZOVFURPBBDD-KRWDZBQOSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@H]1C1CC1 ZINC000410745722 529903156 /nfs/dbraw/zinc/90/31/56/529903156.db2.gz OZVZOVFURPBBDD-KRWDZBQOSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000331529125 215010898 /nfs/dbraw/zinc/01/08/98/215010898.db2.gz GSCAIPOHADRUTI-NXOAAHMSSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000331529125 215010900 /nfs/dbraw/zinc/01/09/00/215010900.db2.gz GSCAIPOHADRUTI-NXOAAHMSSA-N 2 2 366.506 0.297 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000265240457 210079659 /nfs/dbraw/zinc/07/96/59/210079659.db2.gz LCFJNRPKDFJTQA-GOSISDBHSA-N 2 2 360.502 0.927 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000265240457 210079662 /nfs/dbraw/zinc/07/96/62/210079662.db2.gz LCFJNRPKDFJTQA-GOSISDBHSA-N 2 2 360.502 0.927 20 0 FCADLP NS(=O)(=O)[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000331863482 215058155 /nfs/dbraw/zinc/05/81/55/215058155.db2.gz KTCUWADCUZTZDQ-KRWDZBQOSA-N 2 2 352.504 0.562 20 0 FCADLP NS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000331863482 215058160 /nfs/dbraw/zinc/05/81/60/215058160.db2.gz KTCUWADCUZTZDQ-KRWDZBQOSA-N 2 2 352.504 0.562 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870151 215059427 /nfs/dbraw/zinc/05/94/27/215059427.db2.gz ZJQHODZTTHETQP-SJORKVTESA-N 2 2 359.536 0.987 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870151 215059429 /nfs/dbraw/zinc/05/94/29/215059429.db2.gz ZJQHODZTTHETQP-SJORKVTESA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870151 215059431 /nfs/dbraw/zinc/05/94/31/215059431.db2.gz ZJQHODZTTHETQP-SJORKVTESA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870151 215059432 /nfs/dbraw/zinc/05/94/32/215059432.db2.gz ZJQHODZTTHETQP-SJORKVTESA-N 2 2 359.536 0.987 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331886033 215061548 /nfs/dbraw/zinc/06/15/48/215061548.db2.gz WEBGQRYLRDNQPJ-OAHLLOKOSA-N 2 2 365.503 0.396 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331886033 215061550 /nfs/dbraw/zinc/06/15/50/215061550.db2.gz WEBGQRYLRDNQPJ-OAHLLOKOSA-N 2 2 365.503 0.396 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc[nH+]1 ZINC000332036192 215081461 /nfs/dbraw/zinc/08/14/61/215081461.db2.gz IKOILHCQLLFLFX-DZGCQCFKSA-N 2 2 360.462 0.033 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc[nH+]1 ZINC000332036192 215081465 /nfs/dbraw/zinc/08/14/65/215081465.db2.gz IKOILHCQLLFLFX-DZGCQCFKSA-N 2 2 360.462 0.033 20 0 FCADLP C[C@@H]1CSCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332081825 215089613 /nfs/dbraw/zinc/08/96/13/215089613.db2.gz MZWLISPRGFNPHA-CQSZACIVSA-N 2 2 368.547 0.625 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000332087352 215090203 /nfs/dbraw/zinc/09/02/03/215090203.db2.gz SJTAZMVJUWRDPR-DLBZAZTESA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000332087352 215090208 /nfs/dbraw/zinc/09/02/08/215090208.db2.gz SJTAZMVJUWRDPR-DLBZAZTESA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000332087359 215090613 /nfs/dbraw/zinc/09/06/13/215090613.db2.gz SJTAZMVJUWRDPR-SJORKVTESA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332087359 215090615 /nfs/dbraw/zinc/09/06/15/215090615.db2.gz SJTAZMVJUWRDPR-SJORKVTESA-N 2 2 373.501 0.980 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938377 210020233 /nfs/dbraw/zinc/02/02/33/210020233.db2.gz PXYPDQREQSWUFM-PKOBYXMFSA-N 2 2 360.502 0.546 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938377 210020236 /nfs/dbraw/zinc/02/02/36/210020236.db2.gz PXYPDQREQSWUFM-PKOBYXMFSA-N 2 2 360.502 0.546 20 0 FCADLP Cn1ccc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000264922977 210015641 /nfs/dbraw/zinc/01/56/41/210015641.db2.gz WIAVKUHSEDYYJR-INIZCTEOSA-N 2 2 357.462 0.805 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000332470117 215157983 /nfs/dbraw/zinc/15/79/83/215157983.db2.gz MUBWYWUNNBKDGK-UONOGXRCSA-N 2 2 350.488 0.774 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000332492877 215160266 /nfs/dbraw/zinc/16/02/66/215160266.db2.gz VTUURJSWQGSZMO-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000332492877 215160268 /nfs/dbraw/zinc/16/02/68/215160268.db2.gz VTUURJSWQGSZMO-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000332500994 215161274 /nfs/dbraw/zinc/16/12/74/215161274.db2.gz GJMSDMBFWNNKDI-HOTGVXAUSA-N 2 2 359.474 0.624 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000332500992 215161797 /nfs/dbraw/zinc/16/17/97/215161797.db2.gz GJMSDMBFWNNKDI-CVEARBPZSA-N 2 2 359.474 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000332502747 215163127 /nfs/dbraw/zinc/16/31/27/215163127.db2.gz AGSLZPOSDYKXFB-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000332502747 215163131 /nfs/dbraw/zinc/16/31/31/215163131.db2.gz AGSLZPOSDYKXFB-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000332502749 215163155 /nfs/dbraw/zinc/16/31/55/215163155.db2.gz AGSLZPOSDYKXFB-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000332502749 215163160 /nfs/dbraw/zinc/16/31/60/215163160.db2.gz AGSLZPOSDYKXFB-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000332518251 215166281 /nfs/dbraw/zinc/16/62/81/215166281.db2.gz IRPSTKBPNZEYCU-GJZGRUSLSA-N 2 2 360.458 0.969 20 0 FCADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000332517677 215166626 /nfs/dbraw/zinc/16/66/26/215166626.db2.gz IGOMGXUAQYQPHJ-MRXNPFEDSA-N 2 2 362.474 0.764 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000332550572 215176312 /nfs/dbraw/zinc/17/63/12/215176312.db2.gz PIOMQCLTXGOAEK-HNNXBMFYSA-N 2 2 359.474 0.497 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332619499 215192089 /nfs/dbraw/zinc/19/20/89/215192089.db2.gz QXILWRKVWQTFST-IRXDYDNUSA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332619499 215192095 /nfs/dbraw/zinc/19/20/95/215192095.db2.gz QXILWRKVWQTFST-IRXDYDNUSA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000332619497 215192321 /nfs/dbraw/zinc/19/23/21/215192321.db2.gz QXILWRKVWQTFST-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000332619497 215192327 /nfs/dbraw/zinc/19/23/27/215192327.db2.gz QXILWRKVWQTFST-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000332688781 215204676 /nfs/dbraw/zinc/20/46/76/215204676.db2.gz QKJCATXMFHFHRD-VQHPVUNQSA-N 2 2 366.506 0.284 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333005411 215223531 /nfs/dbraw/zinc/22/35/31/215223531.db2.gz NSMQBXMLOJCIPX-KSZLIROESA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333126852 215239861 /nfs/dbraw/zinc/23/98/61/215239861.db2.gz VWOVZQZLTZAJQM-CZUORRHYSA-N 2 2 351.495 0.511 20 0 FCADLP C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333126855 215239884 /nfs/dbraw/zinc/23/98/84/215239884.db2.gz VWOVZQZLTZAJQM-XJKSGUPXSA-N 2 2 351.495 0.511 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCO1 ZINC000333140166 215241515 /nfs/dbraw/zinc/24/15/15/215241515.db2.gz KDOKOFFWXKTZBT-RBSFLKMASA-N 2 2 353.467 0.491 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCO1 ZINC000333140166 215241518 /nfs/dbraw/zinc/24/15/18/215241518.db2.gz KDOKOFFWXKTZBT-RBSFLKMASA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000333140166 215241520 /nfs/dbraw/zinc/24/15/20/215241520.db2.gz KDOKOFFWXKTZBT-RBSFLKMASA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000333140166 215241523 /nfs/dbraw/zinc/24/15/23/215241523.db2.gz KDOKOFFWXKTZBT-RBSFLKMASA-N 2 2 353.467 0.491 20 0 FCADLP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1[NH+]1CCOCC1 ZINC000333318864 215263249 /nfs/dbraw/zinc/26/32/49/215263249.db2.gz WOYZIXXMQYCRSM-DZGCQCFKSA-N 2 2 350.467 0.348 20 0 FCADLP C[C@@H]1CSC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000333384439 215273910 /nfs/dbraw/zinc/27/39/10/215273910.db2.gz BQAJRKXBGUBZOP-CABCVRRESA-N 2 2 370.544 0.875 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)N1CCCC1 ZINC000333397387 215275123 /nfs/dbraw/zinc/27/51/23/215275123.db2.gz DOEWKMUQVGEKJD-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)N1CCCC1 ZINC000333397387 215275126 /nfs/dbraw/zinc/27/51/26/215275126.db2.gz DOEWKMUQVGEKJD-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000333499509 215289979 /nfs/dbraw/zinc/28/99/79/215289979.db2.gz FGWCXZMHCSFPBZ-ABHNRTSZSA-N 2 2 367.538 0.301 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333499509 215289983 /nfs/dbraw/zinc/28/99/83/215289983.db2.gz FGWCXZMHCSFPBZ-ABHNRTSZSA-N 2 2 367.538 0.301 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000333546768 215296857 /nfs/dbraw/zinc/29/68/57/215296857.db2.gz TURSUEXOXKUHEX-KRWDZBQOSA-N 2 2 354.495 0.463 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000333546768 215296859 /nfs/dbraw/zinc/29/68/59/215296859.db2.gz TURSUEXOXKUHEX-KRWDZBQOSA-N 2 2 354.495 0.463 20 0 FCADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)s1 ZINC000333738310 215314844 /nfs/dbraw/zinc/31/48/44/215314844.db2.gz XERALQFHRIFHFH-AWEZNQCLSA-N 2 2 353.492 0.657 20 0 FCADLP COCC1(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000333740405 215315329 /nfs/dbraw/zinc/31/53/29/215315329.db2.gz XNPCOQHRZMFHTE-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333834390 215322883 /nfs/dbraw/zinc/32/28/83/215322883.db2.gz NBGQYLOCQDVNAC-PMPSAXMXSA-N 2 2 351.495 0.323 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000285413500 213338812 /nfs/dbraw/zinc/33/88/12/213338812.db2.gz NFMGOOGJKJOLJS-VWPFQQQWSA-N 2 2 362.478 0.768 20 0 FCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000285413500 213338814 /nfs/dbraw/zinc/33/88/14/213338814.db2.gz NFMGOOGJKJOLJS-VWPFQQQWSA-N 2 2 362.478 0.768 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285312725 213322070 /nfs/dbraw/zinc/32/20/70/213322070.db2.gz SPLOBRMKDNSNRV-UHFFFAOYSA-N 2 2 368.441 0.744 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284970705 213259695 /nfs/dbraw/zinc/25/96/95/213259695.db2.gz KPUTZCADCBIPGQ-ZDUSSCGKSA-N 2 2 352.504 0.679 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284970705 213259698 /nfs/dbraw/zinc/25/96/98/213259698.db2.gz KPUTZCADCBIPGQ-ZDUSSCGKSA-N 2 2 352.504 0.679 20 0 FCADLP C[N@@H+]1CC[C@@H]2OCCN(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000284933630 213251329 /nfs/dbraw/zinc/25/13/29/213251329.db2.gz UXDOLOFKSYKTAG-ROUUACIJSA-N 2 2 373.501 0.525 20 0 FCADLP C[N@H+]1CC[C@@H]2OCCN(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000284933630 213251331 /nfs/dbraw/zinc/25/13/31/213251331.db2.gz UXDOLOFKSYKTAG-ROUUACIJSA-N 2 2 373.501 0.525 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284539160 213163805 /nfs/dbraw/zinc/16/38/05/213163805.db2.gz LFOJTTWNZUOMNV-UHFFFAOYSA-N 2 2 358.446 0.865 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000284496412 213153615 /nfs/dbraw/zinc/15/36/15/213153615.db2.gz PQJSQWNOWFIKCA-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000284446417 213142366 /nfs/dbraw/zinc/14/23/66/213142366.db2.gz ZSPMZEVFIUTACW-INIZCTEOSA-N 2 2 363.462 0.021 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)c[nH+]2)CC1 ZINC000284379388 213123854 /nfs/dbraw/zinc/12/38/54/213123854.db2.gz GYWRPLLTJVKUMM-UHFFFAOYSA-N 2 2 361.490 0.954 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000284321930 213110552 /nfs/dbraw/zinc/11/05/52/213110552.db2.gz JJIHYIIZIDCYDT-CQSZACIVSA-N 2 2 359.430 0.973 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000284219847 213100698 /nfs/dbraw/zinc/10/06/98/213100698.db2.gz TXXXDQVBRIZOIT-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000284204746 213096828 /nfs/dbraw/zinc/09/68/28/213096828.db2.gz ZKNBVCWXQRSCKK-STQMWFEESA-N 2 2 351.451 0.040 20 0 FCADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284166181 213088308 /nfs/dbraw/zinc/08/83/08/213088308.db2.gz YHOZXMOQSAGNOW-UHFFFAOYSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000284090027 213072021 /nfs/dbraw/zinc/07/20/21/213072021.db2.gz UVFZEFZAWZSHKD-UHFFFAOYSA-N 2 2 363.462 0.103 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000284043473 213061633 /nfs/dbraw/zinc/06/16/33/213061633.db2.gz SIXILVSXQIIUKX-INMHGKMJSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000284043473 213061637 /nfs/dbraw/zinc/06/16/37/213061637.db2.gz SIXILVSXQIIUKX-INMHGKMJSA-N 2 2 359.474 0.863 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000284037578 213060250 /nfs/dbraw/zinc/06/02/50/213060250.db2.gz OUNSMXGMYMDLJM-OKILXGFUSA-N 2 2 365.478 0.312 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000284037578 213060254 /nfs/dbraw/zinc/06/02/54/213060254.db2.gz OUNSMXGMYMDLJM-OKILXGFUSA-N 2 2 365.478 0.312 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000284035219 213060215 /nfs/dbraw/zinc/06/02/15/213060215.db2.gz QZAUJRPRPSPJFI-UHFFFAOYSA-N 2 2 355.442 0.941 20 0 FCADLP Cc1ccc2nc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cn2c1 ZINC000283967734 213045033 /nfs/dbraw/zinc/04/50/33/213045033.db2.gz NMIJKCHMJBNSTJ-MRXNPFEDSA-N 2 2 357.458 0.665 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000283852854 213020552 /nfs/dbraw/zinc/02/05/52/213020552.db2.gz JBYDMFWPJGBTPA-GASCZTMLSA-N 2 2 373.457 0.566 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000283852854 213020555 /nfs/dbraw/zinc/02/05/55/213020555.db2.gz JBYDMFWPJGBTPA-GASCZTMLSA-N 2 2 373.457 0.566 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCSC1 ZINC000283849536 213020024 /nfs/dbraw/zinc/02/00/24/213020024.db2.gz ASTZPSTZFZVDPH-GUYCJALGSA-N 2 2 365.503 0.669 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000283841329 213016718 /nfs/dbraw/zinc/01/67/18/213016718.db2.gz IQSCFVWUEFTLKI-UHFFFAOYSA-N 2 2 355.442 0.780 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283764153 213004575 /nfs/dbraw/zinc/00/45/75/213004575.db2.gz BWQBIODSCBNUCQ-CYBMUJFWSA-N 2 2 354.414 0.862 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000283511782 212964369 /nfs/dbraw/zinc/96/43/69/212964369.db2.gz IFOMEILBWFRFOX-HOTGVXAUSA-N 2 2 363.462 0.131 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000411939061 237113748 /nfs/dbraw/zinc/11/37/48/237113748.db2.gz NHBKRIAFZOJEQH-SFHVURJKSA-N 2 2 358.486 0.741 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000411939061 237113752 /nfs/dbraw/zinc/11/37/52/237113752.db2.gz NHBKRIAFZOJEQH-SFHVURJKSA-N 2 2 358.486 0.741 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366595240 216002500 /nfs/dbraw/zinc/00/25/00/216002500.db2.gz VGZZFCPIULCPPC-CHWSQXEVSA-N 2 2 353.385 0.165 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000366595240 216002503 /nfs/dbraw/zinc/00/25/03/216002503.db2.gz VGZZFCPIULCPPC-CHWSQXEVSA-N 2 2 353.385 0.165 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411987775 237132252 /nfs/dbraw/zinc/13/22/52/237132252.db2.gz RHZCQNQIEYUGDK-DOTOQJQBSA-N 2 2 367.515 0.769 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411987777 237133478 /nfs/dbraw/zinc/13/34/78/237133478.db2.gz RHZCQNQIEYUGDK-RDJZCZTQSA-N 2 2 367.515 0.769 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000412450530 237211290 /nfs/dbraw/zinc/21/12/90/237211290.db2.gz VFBQYYNGXFQSAN-UHFFFAOYSA-N 2 2 359.430 0.687 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000413109424 237281982 /nfs/dbraw/zinc/28/19/82/237281982.db2.gz RDMXKVCPMVLPNE-UHFFFAOYSA-N 2 2 356.511 0.707 20 0 FCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1C ZINC000366838537 216041203 /nfs/dbraw/zinc/04/12/03/216041203.db2.gz GTTBXDKDAIEARL-QZWWFDLISA-N 2 2 367.490 0.487 20 0 FCADLP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367285594 216102969 /nfs/dbraw/zinc/10/29/69/216102969.db2.gz GNMHKLNAGODCQE-DLBZAZTESA-N 2 2 352.523 0.582 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C)C1 ZINC000367591517 216141784 /nfs/dbraw/zinc/14/17/84/216141784.db2.gz ZWGSFUMLKONGGB-XDNAFOTISA-N 2 2 368.522 0.726 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H](C)C1 ZINC000367591517 216141787 /nfs/dbraw/zinc/14/17/87/216141787.db2.gz ZWGSFUMLKONGGB-XDNAFOTISA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367806826 216164229 /nfs/dbraw/zinc/16/42/29/216164229.db2.gz QYJPZKOEZPZLBT-NCOADZHNSA-N 2 2 352.479 0.354 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367806826 216164230 /nfs/dbraw/zinc/16/42/30/216164230.db2.gz QYJPZKOEZPZLBT-NCOADZHNSA-N 2 2 352.479 0.354 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261817152 209484991 /nfs/dbraw/zinc/48/49/91/209484991.db2.gz RZXUQENWQRTMOU-SFHVURJKSA-N 2 2 366.469 0.772 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000367953442 216182196 /nfs/dbraw/zinc/18/21/96/216182196.db2.gz UJGWCMMGLMAJFS-OAHLLOKOSA-N 2 2 351.451 0.152 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000367953442 216182197 /nfs/dbraw/zinc/18/21/97/216182197.db2.gz UJGWCMMGLMAJFS-OAHLLOKOSA-N 2 2 351.451 0.152 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000246345371 209385843 /nfs/dbraw/zinc/38/58/43/209385843.db2.gz CLSCLFIKGOQFMK-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573600 209392440 /nfs/dbraw/zinc/39/24/40/209392440.db2.gz LLIRQBYZYPFHMK-RDJZCZTQSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573600 209392444 /nfs/dbraw/zinc/39/24/44/209392444.db2.gz LLIRQBYZYPFHMK-RDJZCZTQSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246573600 209392449 /nfs/dbraw/zinc/39/24/49/209392449.db2.gz LLIRQBYZYPFHMK-RDJZCZTQSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246573600 209392452 /nfs/dbraw/zinc/39/24/52/209392452.db2.gz LLIRQBYZYPFHMK-RDJZCZTQSA-N 2 2 359.536 0.891 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000246345371 209385844 /nfs/dbraw/zinc/38/58/44/209385844.db2.gz CLSCLFIKGOQFMK-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246130007 209380058 /nfs/dbraw/zinc/38/00/58/209380058.db2.gz QOQWXKJJDQPXRE-RBUKOAKNSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246130007 209380060 /nfs/dbraw/zinc/38/00/60/209380060.db2.gz QOQWXKJJDQPXRE-RBUKOAKNSA-N 2 2 358.486 0.394 20 0 FCADLP C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246145045 209380028 /nfs/dbraw/zinc/38/00/28/209380028.db2.gz OFDWOZRDOMUSLL-VQHPVUNQSA-N 2 2 354.495 0.458 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237816342 209358628 /nfs/dbraw/zinc/35/86/28/209358628.db2.gz WPKKJBXVOFQWRB-KBMXLJTQSA-N 2 2 369.473 0.933 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000237443902 209353081 /nfs/dbraw/zinc/35/30/81/209353081.db2.gz MYXMQBRGAAYESA-INIZCTEOSA-N 2 2 360.458 0.179 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237461468 209352015 /nfs/dbraw/zinc/35/20/15/209352015.db2.gz PSFNPLMMXYAANY-KDOFPFPSSA-N 2 2 356.470 0.512 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)([NH+]2CCOCC2)C1 ZINC000194990063 209332314 /nfs/dbraw/zinc/33/23/14/209332314.db2.gz GALCEESHQFCHMW-LRYGQEGESA-N 2 2 368.522 0.849 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000236970589 209346386 /nfs/dbraw/zinc/34/63/86/209346386.db2.gz GMKOYAGCPORWGG-CQSZACIVSA-N 2 2 366.487 0.561 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000237018056 209346011 /nfs/dbraw/zinc/34/60/11/209346011.db2.gz ISQYCXKBHVJGCI-YOEHRIQHSA-N 2 2 362.478 0.335 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000237018056 209346013 /nfs/dbraw/zinc/34/60/13/209346013.db2.gz ISQYCXKBHVJGCI-YOEHRIQHSA-N 2 2 362.478 0.335 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CCC[NH3+])c2)CC1 ZINC000236887734 209344679 /nfs/dbraw/zinc/34/46/79/209344679.db2.gz FIUVTMLOZNPWPE-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000236765427 209343486 /nfs/dbraw/zinc/34/34/86/209343486.db2.gz SOLNHYLMWFKALC-INIZCTEOSA-N 2 2 368.503 0.222 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCCNC3=O)CC2)CC1 ZINC000195342250 209336128 /nfs/dbraw/zinc/33/61/28/209336128.db2.gz YBAVDWQXZULGMT-INIZCTEOSA-N 2 2 351.495 0.513 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000192276168 209299296 /nfs/dbraw/zinc/29/92/96/209299296.db2.gz OUCUGIQMBBGACZ-OAHLLOKOSA-N 2 2 362.478 0.450 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000192276168 209299297 /nfs/dbraw/zinc/29/92/97/209299297.db2.gz OUCUGIQMBBGACZ-OAHLLOKOSA-N 2 2 362.478 0.450 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000368980454 216327912 /nfs/dbraw/zinc/32/79/12/216327912.db2.gz GSLOOAFAGMONSB-MSOLQXFVSA-N 2 2 367.538 0.253 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000368981448 216328158 /nfs/dbraw/zinc/32/81/58/216328158.db2.gz UHXOFXLIZVHCTK-FGTMMUONSA-N 2 2 368.522 0.584 20 0 FCADLP COc1ccnc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1OC ZINC000368988687 216329025 /nfs/dbraw/zinc/32/90/25/216329025.db2.gz BEKFWLIGCZFUIX-UHFFFAOYSA-N 2 2 351.447 0.758 20 0 FCADLP C[C@H](O)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000190925248 209279838 /nfs/dbraw/zinc/27/98/38/209279838.db2.gz ZHODRYDSTRGLMB-HOTGVXAUSA-N 2 2 350.463 0.184 20 0 FCADLP C[C@H](O)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000190925248 209279840 /nfs/dbraw/zinc/27/98/40/209279840.db2.gz ZHODRYDSTRGLMB-HOTGVXAUSA-N 2 2 350.463 0.184 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)CC2)c1 ZINC000190827262 209279728 /nfs/dbraw/zinc/27/97/28/209279728.db2.gz FSRKYMLITUPPGG-ROUUACIJSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)CC2)c1 ZINC000190827262 209279730 /nfs/dbraw/zinc/27/97/30/209279730.db2.gz FSRKYMLITUPPGG-ROUUACIJSA-N 2 2 363.502 0.703 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(-n4cncn4)c3)C2)CC1 ZINC000369274367 216377418 /nfs/dbraw/zinc/37/74/18/216377418.db2.gz OQFPHIGMRMKLAV-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(-n4cncn4)c3)C2)CC1 ZINC000369274367 216377419 /nfs/dbraw/zinc/37/74/19/216377419.db2.gz OQFPHIGMRMKLAV-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342494 216387331 /nfs/dbraw/zinc/38/73/31/216387331.db2.gz IXDPKZXFGPUMQW-PUAOIOHZSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342494 216387332 /nfs/dbraw/zinc/38/73/32/216387332.db2.gz IXDPKZXFGPUMQW-PUAOIOHZSA-N 2 2 364.515 0.963 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000369362956 216389799 /nfs/dbraw/zinc/38/97/99/216389799.db2.gz IHKOPUOSUCIXDP-HZPDHXFCSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000369362956 216389801 /nfs/dbraw/zinc/38/98/01/216389801.db2.gz IHKOPUOSUCIXDP-HZPDHXFCSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4(CC3)OCCO4)C2)CC1 ZINC000369375836 216390594 /nfs/dbraw/zinc/39/05/94/216390594.db2.gz ZFKKUFNOERNZCW-OAHLLOKOSA-N 2 2 352.479 0.703 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4(CC3)OCCO4)C2)CC1 ZINC000369375836 216390596 /nfs/dbraw/zinc/39/05/96/216390596.db2.gz ZFKKUFNOERNZCW-OAHLLOKOSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392673 216393122 /nfs/dbraw/zinc/39/31/22/216393122.db2.gz IVNZAUIUMWOMFW-HUUCEWRRSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392673 216393124 /nfs/dbraw/zinc/39/31/24/216393124.db2.gz IVNZAUIUMWOMFW-HUUCEWRRSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369402160 216396117 /nfs/dbraw/zinc/39/61/17/216396117.db2.gz PSIISAQFCDSTKZ-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402160 216396120 /nfs/dbraw/zinc/39/61/20/216396120.db2.gz PSIISAQFCDSTKZ-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NCC[N@@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000189472102 209252555 /nfs/dbraw/zinc/25/25/55/209252555.db2.gz URCMNINTZGPYGX-IBGZPJMESA-N 2 2 360.502 0.814 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NCC[N@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000189472102 209252557 /nfs/dbraw/zinc/25/25/57/209252557.db2.gz URCMNINTZGPYGX-IBGZPJMESA-N 2 2 360.502 0.814 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000189336876 209247913 /nfs/dbraw/zinc/24/79/13/209247913.db2.gz GQXYBNZLPXKQAV-MRXNPFEDSA-N 2 2 366.531 0.391 20 0 FCADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@]1=O ZINC000277406230 212357013 /nfs/dbraw/zinc/35/70/13/212357013.db2.gz ZSWFSKQHYSBLGQ-LMKMVOKYSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@]1=O ZINC000277406230 212357016 /nfs/dbraw/zinc/35/70/16/212357016.db2.gz ZSWFSKQHYSBLGQ-LMKMVOKYSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277258958 212343838 /nfs/dbraw/zinc/34/38/38/212343838.db2.gz QUTZSVJJIUHWMX-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277258958 212343840 /nfs/dbraw/zinc/34/38/40/212343840.db2.gz QUTZSVJJIUHWMX-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP CCS(=O)(=O)NCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188298088 209229285 /nfs/dbraw/zinc/22/92/85/209229285.db2.gz LGOKGZLAULHJFM-QGZVFWFLSA-N 2 2 355.504 0.495 20 0 FCADLP CCS(=O)(=O)NCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188298088 209229289 /nfs/dbraw/zinc/22/92/89/209229289.db2.gz LGOKGZLAULHJFM-QGZVFWFLSA-N 2 2 355.504 0.495 20 0 FCADLP CCS(=O)(=O)NCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188298088 209229293 /nfs/dbraw/zinc/22/92/93/209229293.db2.gz LGOKGZLAULHJFM-QGZVFWFLSA-N 2 2 355.504 0.495 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1CCO ZINC000187677752 209216860 /nfs/dbraw/zinc/21/68/60/209216860.db2.gz GNWFASZEXVIDSM-MRXNPFEDSA-N 2 2 366.531 0.391 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1CCO ZINC000187677752 209216862 /nfs/dbraw/zinc/21/68/62/209216862.db2.gz GNWFASZEXVIDSM-MRXNPFEDSA-N 2 2 366.531 0.391 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000187126634 209205481 /nfs/dbraw/zinc/20/54/81/209205481.db2.gz HIFDDTUXEFSXIM-GOSISDBHSA-N 2 2 364.490 0.673 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000187126634 209205483 /nfs/dbraw/zinc/20/54/83/209205483.db2.gz HIFDDTUXEFSXIM-GOSISDBHSA-N 2 2 364.490 0.673 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000187145221 209206812 /nfs/dbraw/zinc/20/68/12/209206812.db2.gz OPIZDLLOOYYPKD-SFHVURJKSA-N 2 2 360.458 0.620 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000187145221 209206816 /nfs/dbraw/zinc/20/68/16/209206816.db2.gz OPIZDLLOOYYPKD-SFHVURJKSA-N 2 2 360.458 0.620 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000186985613 209204632 /nfs/dbraw/zinc/20/46/32/209204632.db2.gz NJURNNBWBUVBQV-IAGOWNOFSA-N 2 2 361.490 0.117 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000186985613 209204636 /nfs/dbraw/zinc/20/46/36/209204636.db2.gz NJURNNBWBUVBQV-IAGOWNOFSA-N 2 2 361.490 0.117 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CCOc2cccc(S(C)(=O)=O)c2)CC1 ZINC000931485278 674117265 /nfs/dbraw/zinc/11/72/65/674117265.db2.gz CMWPWAJYIZJEBZ-UHFFFAOYSA-N 2 2 356.488 0.857 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)[NH+]1CCOCC1 ZINC000414816790 245325921 /nfs/dbraw/zinc/32/59/21/245325921.db2.gz QRODFLHALABCSH-ZIAGYGMSSA-N 2 2 360.458 0.496 20 0 FCADLP COCC[NH2+]CC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414883920 245329805 /nfs/dbraw/zinc/32/98/05/245329805.db2.gz NDXJMGNATMRRDZ-UHFFFAOYSA-N 2 2 371.503 0.674 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415079266 245346225 /nfs/dbraw/zinc/34/62/25/245346225.db2.gz JTWYLEHNFJBLJL-WMLDXEAASA-N 2 2 360.458 0.968 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000415084393 245346567 /nfs/dbraw/zinc/34/65/67/245346567.db2.gz RDCLQZYJTKCZEV-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000415243180 245367811 /nfs/dbraw/zinc/36/78/11/245367811.db2.gz VPBXZNXUBGGZCB-ZBFHGGJFSA-N 2 2 350.467 0.854 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000415243179 245369602 /nfs/dbraw/zinc/36/96/02/245369602.db2.gz VPBXZNXUBGGZCB-HOCLYGCPSA-N 2 2 350.467 0.854 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@]2(CCOC2)O1 ZINC000373394461 217014994 /nfs/dbraw/zinc/01/49/94/217014994.db2.gz NYSOADWVRIZKHK-QAPCUYQASA-N 2 2 354.495 0.602 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000415287855 245380661 /nfs/dbraw/zinc/38/06/61/245380661.db2.gz YQNFPBBRRMDMPN-UHFFFAOYSA-N 2 2 359.474 0.194 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000185219847 209174164 /nfs/dbraw/zinc/17/41/64/209174164.db2.gz XWNXXGSSRSKULA-QGZVFWFLSA-N 2 2 356.536 0.930 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000185219847 209174165 /nfs/dbraw/zinc/17/41/65/209174165.db2.gz XWNXXGSSRSKULA-QGZVFWFLSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000415343560 245393456 /nfs/dbraw/zinc/39/34/56/245393456.db2.gz LQJXKIVDQJHBML-GJZGRUSLSA-N 2 2 360.458 0.839 20 0 FCADLP Cc1cc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000275331750 212008328 /nfs/dbraw/zinc/00/83/28/212008328.db2.gz WAGXFYNLSUJHED-UHFFFAOYSA-N 2 2 362.474 0.818 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373895322 217072262 /nfs/dbraw/zinc/07/22/62/217072262.db2.gz WPCHHQNJDHVGSA-WMZOPIPTSA-N 2 2 352.523 0.772 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373895322 217072264 /nfs/dbraw/zinc/07/22/64/217072264.db2.gz WPCHHQNJDHVGSA-WMZOPIPTSA-N 2 2 352.523 0.772 20 0 FCADLP Cc1nccnc1N1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000374146402 217101450 /nfs/dbraw/zinc/10/14/50/217101450.db2.gz FPGBFCWSRARMFV-UHFFFAOYSA-N 2 2 360.506 0.896 20 0 FCADLP COCC[C@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000374453866 217131338 /nfs/dbraw/zinc/13/13/38/217131338.db2.gz WBSPPIDJEYMRAV-DNVCBOLYSA-N 2 2 362.474 0.939 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360392 217121526 /nfs/dbraw/zinc/12/15/26/217121526.db2.gz PEXJFENANZNCAM-MJGOQNOKSA-N 2 2 362.474 0.556 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360392 217121530 /nfs/dbraw/zinc/12/15/30/217121530.db2.gz PEXJFENANZNCAM-MJGOQNOKSA-N 2 2 362.474 0.556 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374417479 217127082 /nfs/dbraw/zinc/12/70/82/217127082.db2.gz ASCKTDOSAFLSJA-OWCLPIDISA-N 2 2 363.524 0.126 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374417479 217127086 /nfs/dbraw/zinc/12/70/86/217127086.db2.gz ASCKTDOSAFLSJA-OWCLPIDISA-N 2 2 363.524 0.126 20 0 FCADLP CC(C)(C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000374885747 217185109 /nfs/dbraw/zinc/18/51/09/217185109.db2.gz DVRWDZNYIKILND-HNNXBMFYSA-N 2 2 352.479 0.038 20 0 FCADLP CC(C)(C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000374885747 217185110 /nfs/dbraw/zinc/18/51/10/217185110.db2.gz DVRWDZNYIKILND-HNNXBMFYSA-N 2 2 352.479 0.038 20 0 FCADLP O=C(C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCCC1 ZINC000375012300 217203528 /nfs/dbraw/zinc/20/35/28/217203528.db2.gz KXANGLUPARXYPY-HDICACEKSA-N 2 2 350.507 0.480 20 0 FCADLP O=C(C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCCC1 ZINC000375012300 217203529 /nfs/dbraw/zinc/20/35/29/217203529.db2.gz KXANGLUPARXYPY-HDICACEKSA-N 2 2 350.507 0.480 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000182616338 209135169 /nfs/dbraw/zinc/13/51/69/209135169.db2.gz OKGVNUKKGICQQR-OAHLLOKOSA-N 2 2 356.488 0.920 20 0 FCADLP CC(C)Nc1nc(N2CCCC3(CC[NH+](C)CC3)C2)nc(NCCO)[nH+]1 ZINC000376420615 217398149 /nfs/dbraw/zinc/39/81/49/217398149.db2.gz LQZHWQLVWGYSKX-UHFFFAOYSA-N 2 2 363.510 0.252 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376420615 217398152 /nfs/dbraw/zinc/39/81/52/217398152.db2.gz LQZHWQLVWGYSKX-UHFFFAOYSA-N 2 2 363.510 0.252 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CCCC3(CC[NH+](C)CC3)C2)[nH+]1 ZINC000376420615 217398154 /nfs/dbraw/zinc/39/81/54/217398154.db2.gz LQZHWQLVWGYSKX-UHFFFAOYSA-N 2 2 363.510 0.252 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000418878260 245886332 /nfs/dbraw/zinc/88/63/32/245886332.db2.gz QUSJFYNMTPZMDA-IUODEOHRSA-N 2 2 352.866 0.866 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418885072 245887827 /nfs/dbraw/zinc/88/78/27/245887827.db2.gz HDSIGGGBTCKMNA-OAHLLOKOSA-N 2 2 357.458 0.967 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000419129463 246004120 /nfs/dbraw/zinc/00/41/20/246004120.db2.gz YEZFEJDCJROHCE-HNNXBMFYSA-N 2 2 355.442 0.410 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]21 ZINC000419212196 246056380 /nfs/dbraw/zinc/05/63/80/246056380.db2.gz ZKPBKVHKEJFRLR-YESZJQIVSA-N 2 2 371.485 0.884 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419211187 246057607 /nfs/dbraw/zinc/05/76/07/246057607.db2.gz SARQDPMQBISPJU-CQSZACIVSA-N 2 2 354.401 0.477 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419211187 246057611 /nfs/dbraw/zinc/05/76/11/246057611.db2.gz SARQDPMQBISPJU-CQSZACIVSA-N 2 2 354.401 0.477 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419211186 246057832 /nfs/dbraw/zinc/05/78/32/246057832.db2.gz SARQDPMQBISPJU-AWEZNQCLSA-N 2 2 354.401 0.477 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419211186 246057838 /nfs/dbraw/zinc/05/78/38/246057838.db2.gz SARQDPMQBISPJU-AWEZNQCLSA-N 2 2 354.401 0.477 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)NCCC2=CC[NH2+]CC2)c[nH+]1 ZINC000419198008 246047914 /nfs/dbraw/zinc/04/79/14/246047914.db2.gz BJROAXRJINRUIP-UHFFFAOYSA-N 2 2 359.474 0.970 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CCCC1 ZINC000419205434 246053403 /nfs/dbraw/zinc/05/34/03/246053403.db2.gz KTOOUYVJICFDDH-INIZCTEOSA-N 2 2 359.474 0.932 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000419275895 246085937 /nfs/dbraw/zinc/08/59/37/246085937.db2.gz ZHSPAHWWYAOCKZ-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228985 246069297 /nfs/dbraw/zinc/06/92/97/246069297.db2.gz HAMLIKYTONOVLI-MCIONIFRSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228985 246069303 /nfs/dbraw/zinc/06/93/03/246069303.db2.gz HAMLIKYTONOVLI-MCIONIFRSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C[NH2+]1 ZINC000419264257 246081414 /nfs/dbraw/zinc/08/14/14/246081414.db2.gz AYESNTPDCXKLIJ-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419400068 246135717 /nfs/dbraw/zinc/13/57/17/246135717.db2.gz ZZULJUOWJUDDAU-UHFFFAOYSA-N 2 2 359.474 0.756 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419638360 246225960 /nfs/dbraw/zinc/22/59/60/246225960.db2.gz GHHJONNNHAIOIL-INIZCTEOSA-N 2 2 359.474 0.990 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419680663 246245247 /nfs/dbraw/zinc/24/52/47/246245247.db2.gz HPRUUTJRPLLQSV-RRFJBIMHSA-N 2 2 354.495 0.106 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419678990 246245705 /nfs/dbraw/zinc/24/57/05/246245705.db2.gz FMTRHIJIZOXZAW-VBNZEHGJSA-N 2 2 359.405 0.480 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419736446 246276996 /nfs/dbraw/zinc/27/69/96/246276996.db2.gz WMQPUUOYYGNEKA-SJORKVTESA-N 2 2 371.485 0.767 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419816044 246306156 /nfs/dbraw/zinc/30/61/56/246306156.db2.gz LETBNMKAQNSFBA-LBPRGKRZSA-N 2 2 358.389 0.633 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419830809 246309370 /nfs/dbraw/zinc/30/93/70/246309370.db2.gz KRUBUKDQTWOSNO-UHFFFAOYSA-N 2 2 350.438 0.715 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419830809 246309371 /nfs/dbraw/zinc/30/93/71/246309371.db2.gz KRUBUKDQTWOSNO-UHFFFAOYSA-N 2 2 350.438 0.715 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)s1 ZINC000419835077 246312265 /nfs/dbraw/zinc/31/22/65/246312265.db2.gz ULQQOCPVDZRYQY-UHFFFAOYSA-N 2 2 352.504 0.810 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419852084 246321574 /nfs/dbraw/zinc/32/15/74/246321574.db2.gz PVIDPKSRZLVWNK-UHFFFAOYSA-N 2 2 350.438 0.586 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419852084 246321577 /nfs/dbraw/zinc/32/15/77/246321577.db2.gz PVIDPKSRZLVWNK-UHFFFAOYSA-N 2 2 350.438 0.586 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000419850724 246322501 /nfs/dbraw/zinc/32/25/01/246322501.db2.gz MKAOOKAILNNAKS-UHFFFAOYSA-N 2 2 360.458 0.208 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000419868728 246337343 /nfs/dbraw/zinc/33/73/43/246337343.db2.gz IYRHKYSJHGRQKJ-DLBZAZTESA-N 2 2 374.485 0.596 20 0 FCADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000419920353 246368189 /nfs/dbraw/zinc/36/81/89/246368189.db2.gz GBZBKSMWQRMQAH-CYBMUJFWSA-N 2 2 364.877 0.881 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419923471 246371241 /nfs/dbraw/zinc/37/12/41/246371241.db2.gz BDFDSCBFVZZWLE-HNNXBMFYSA-N 2 2 364.515 0.898 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419881663 246348028 /nfs/dbraw/zinc/34/80/28/246348028.db2.gz BJQYHCBZHWVBGB-INIZCTEOSA-N 2 2 355.442 0.758 20 0 FCADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000419894950 246355919 /nfs/dbraw/zinc/35/59/19/246355919.db2.gz WQCPKNCPFNIYHR-GJZGRUSLSA-N 2 2 373.457 0.140 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419907909 246363388 /nfs/dbraw/zinc/36/33/88/246363388.db2.gz CXZGZXGEALJEQT-DLBZAZTESA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419907909 246363393 /nfs/dbraw/zinc/36/33/93/246363393.db2.gz CXZGZXGEALJEQT-DLBZAZTESA-N 2 2 358.486 0.835 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000419959058 246388944 /nfs/dbraw/zinc/38/89/44/246388944.db2.gz CXNQYUBUMLPUBB-MRXNPFEDSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972071 246397144 /nfs/dbraw/zinc/39/71/44/246397144.db2.gz XUAFRWSIRBMSLD-GDBMZVCRSA-N 2 2 354.495 0.189 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420041404 246430861 /nfs/dbraw/zinc/43/08/61/246430861.db2.gz MCXYOJGXLJWQEP-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000423374861 247015157 /nfs/dbraw/zinc/01/51/57/247015157.db2.gz UAGYITXEWOFKDG-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000423380062 247016631 /nfs/dbraw/zinc/01/66/31/247016631.db2.gz GUMHETKVXZMYEX-ZHALLVOQSA-N 2 2 361.486 0.959 20 0 FCADLP O=C(COC1CC[NH2+]CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000423305970 247002030 /nfs/dbraw/zinc/00/20/30/247002030.db2.gz CWPYOZYCEWXCJU-UHFFFAOYSA-N 2 2 357.458 0.747 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000423598145 247068272 /nfs/dbraw/zinc/06/82/72/247068272.db2.gz VXKWNGHTTQJHCL-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423600071 247070387 /nfs/dbraw/zinc/07/03/87/247070387.db2.gz XZEKBMOYSPVYAM-CVEARBPZSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000423607911 247072919 /nfs/dbraw/zinc/07/29/19/247072919.db2.gz MZAUGAUDZDPQSY-OAHLLOKOSA-N 2 2 355.442 0.710 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423604300 247073173 /nfs/dbraw/zinc/07/31/73/247073173.db2.gz FIBCXFLXBWXECG-MRXNPFEDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000423604300 247073181 /nfs/dbraw/zinc/07/31/81/247073181.db2.gz FIBCXFLXBWXECG-MRXNPFEDSA-N 2 2 358.486 0.917 20 0 FCADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423613707 247076790 /nfs/dbraw/zinc/07/67/90/247076790.db2.gz POCIXXRURCMDPL-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423615242 247077553 /nfs/dbraw/zinc/07/75/53/247077553.db2.gz YKDHWGBMAZXBPU-HNNXBMFYSA-N 2 2 360.458 0.160 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[NH2+]1 ZINC000423616396 247077985 /nfs/dbraw/zinc/07/79/85/247077985.db2.gz FOPZUYZUQVLJCG-ZIAGYGMSSA-N 2 2 353.488 0.892 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000423621808 247079694 /nfs/dbraw/zinc/07/96/94/247079694.db2.gz YGZNOOHMEMYTLM-MRXNPFEDSA-N 2 2 350.438 0.755 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000423621808 247079698 /nfs/dbraw/zinc/07/96/98/247079698.db2.gz YGZNOOHMEMYTLM-MRXNPFEDSA-N 2 2 350.438 0.755 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657296 247097192 /nfs/dbraw/zinc/09/71/92/247097192.db2.gz VQWHGWYHYZZUQS-LZLYRXPVSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657296 247097196 /nfs/dbraw/zinc/09/71/96/247097196.db2.gz VQWHGWYHYZZUQS-LZLYRXPVSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423748605 247137919 /nfs/dbraw/zinc/13/79/19/247137919.db2.gz ZRMCWTCZUFXTAX-DOTOQJQBSA-N 3 2 367.538 0.057 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423748605 247137921 /nfs/dbraw/zinc/13/79/21/247137921.db2.gz ZRMCWTCZUFXTAX-DOTOQJQBSA-N 3 2 367.538 0.057 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCC1 ZINC000423769344 247139077 /nfs/dbraw/zinc/13/90/77/247139077.db2.gz DZUNOIKBMNURIE-QGZVFWFLSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCC1 ZINC000423769344 247139080 /nfs/dbraw/zinc/13/90/80/247139080.db2.gz DZUNOIKBMNURIE-QGZVFWFLSA-N 2 2 360.462 0.089 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423828058 247144441 /nfs/dbraw/zinc/14/44/41/247144441.db2.gz NWORAWXMILMIAR-MLGOLLRUSA-N 2 2 358.364 0.430 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423828058 247144443 /nfs/dbraw/zinc/14/44/43/247144443.db2.gz NWORAWXMILMIAR-MLGOLLRUSA-N 2 2 358.364 0.430 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)C1(C)C ZINC000423900901 247148516 /nfs/dbraw/zinc/14/85/16/247148516.db2.gz SHGXHWVCVQOQDR-LBTNJELSSA-N 2 2 355.479 0.615 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)C1(C)C ZINC000423900901 247148523 /nfs/dbraw/zinc/14/85/23/247148523.db2.gz SHGXHWVCVQOQDR-LBTNJELSSA-N 2 2 355.479 0.615 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)COC1C[NH2+]C1 ZINC000423931854 247153060 /nfs/dbraw/zinc/15/30/60/247153060.db2.gz ZPVBQCAVOKWJRF-STQMWFEESA-N 2 2 356.467 0.811 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)COC1C[NH2+]C1 ZINC000423931854 247153062 /nfs/dbraw/zinc/15/30/62/247153062.db2.gz ZPVBQCAVOKWJRF-STQMWFEESA-N 2 2 356.467 0.811 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000423729483 247130484 /nfs/dbraw/zinc/13/04/84/247130484.db2.gz XERGXDPRKLFYHE-SJORKVTESA-N 2 2 368.522 0.546 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000423729483 247130489 /nfs/dbraw/zinc/13/04/89/247130489.db2.gz XERGXDPRKLFYHE-SJORKVTESA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423734045 247133670 /nfs/dbraw/zinc/13/36/70/247133670.db2.gz ANKBLTDRUKLICC-YOEHRIQHSA-N 2 2 362.449 0.899 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424525855 247251784 /nfs/dbraw/zinc/25/17/84/247251784.db2.gz RIZMVJYKIJRJIH-CHWSQXEVSA-N 2 2 358.433 0.481 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000424525855 247251790 /nfs/dbraw/zinc/25/17/90/247251790.db2.gz RIZMVJYKIJRJIH-CHWSQXEVSA-N 2 2 358.433 0.481 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000424554803 247260938 /nfs/dbraw/zinc/26/09/38/247260938.db2.gz SOCMOJCDELRCCG-STQMWFEESA-N 2 2 369.416 0.546 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000425391120 247331864 /nfs/dbraw/zinc/33/18/64/247331864.db2.gz RGYXEILFAJLONW-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)c1ccc(C(N)=O)nc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565529 248000868 /nfs/dbraw/zinc/00/08/68/248000868.db2.gz SWMKAMCPLZFUPV-OAHLLOKOSA-N 2 2 368.441 0.699 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000435578446 248002701 /nfs/dbraw/zinc/00/27/01/248002701.db2.gz HXBRRMUQWBZEEC-IKGGRYGDSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000435578446 248002704 /nfs/dbraw/zinc/00/27/04/248002704.db2.gz HXBRRMUQWBZEEC-IKGGRYGDSA-N 2 2 356.511 0.584 20 0 FCADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625472 248004152 /nfs/dbraw/zinc/00/41/52/248004152.db2.gz LQGHAMBCCWWKBE-ZWKOTPCHSA-N 3 2 354.539 0.923 20 0 FCADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625472 248004156 /nfs/dbraw/zinc/00/41/56/248004156.db2.gz LQGHAMBCCWWKBE-ZWKOTPCHSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625472 248004160 /nfs/dbraw/zinc/00/41/60/248004160.db2.gz LQGHAMBCCWWKBE-ZWKOTPCHSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625472 248004163 /nfs/dbraw/zinc/00/41/63/248004163.db2.gz LQGHAMBCCWWKBE-ZWKOTPCHSA-N 3 2 354.539 0.923 20 0 FCADLP CCn1cc[nH+]c1CN(CC(=O)NC(=O)NC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692996 248009614 /nfs/dbraw/zinc/00/96/14/248009614.db2.gz HWVOIXANQOKBML-OAHLLOKOSA-N 2 2 374.489 0.835 20 0 FCADLP Cn1ccnc1C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435690128 248010539 /nfs/dbraw/zinc/01/05/39/248010539.db2.gz BJRRDFIHPMXPSB-AWEZNQCLSA-N 2 2 374.489 0.695 20 0 FCADLP Cn1ccnc1C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435690128 248010541 /nfs/dbraw/zinc/01/05/41/248010541.db2.gz BJRRDFIHPMXPSB-AWEZNQCLSA-N 2 2 374.489 0.695 20 0 FCADLP C[NH2+]CCC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000435874616 248024366 /nfs/dbraw/zinc/02/43/66/248024366.db2.gz MBKNCUVQQNWWQY-UHFFFAOYSA-N 2 2 354.520 0.500 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000436217257 248035983 /nfs/dbraw/zinc/03/59/83/248035983.db2.gz IAMNXOOKKCEOJH-CYBMUJFWSA-N 2 2 352.483 0.473 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000436217257 248035984 /nfs/dbraw/zinc/03/59/84/248035984.db2.gz IAMNXOOKKCEOJH-CYBMUJFWSA-N 2 2 352.483 0.473 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000438887452 248099741 /nfs/dbraw/zinc/09/97/41/248099741.db2.gz QARZWYHYOXYXPH-HNNXBMFYSA-N 2 2 359.430 0.115 20 0 FCADLP C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000441180163 248240363 /nfs/dbraw/zinc/24/03/63/248240363.db2.gz MGMUEZKFNYUZBN-CZUORRHYSA-N 2 2 351.495 0.369 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244978 248244970 /nfs/dbraw/zinc/24/49/70/248244970.db2.gz LGQLWVSEYIMGRV-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244978 248244972 /nfs/dbraw/zinc/24/49/72/248244972.db2.gz LGQLWVSEYIMGRV-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442773413 248297214 /nfs/dbraw/zinc/29/72/14/248297214.db2.gz CPORBJMOHSIDTJ-ZIAGYGMSSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442773413 248297216 /nfs/dbraw/zinc/29/72/16/248297216.db2.gz CPORBJMOHSIDTJ-ZIAGYGMSSA-N 2 2 352.504 0.882 20 0 FCADLP CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1[nH]cc[nH+]1 ZINC000443124422 248308510 /nfs/dbraw/zinc/30/85/10/248308510.db2.gz BQBSXMNYWXCMTM-HUUCEWRRSA-N 2 2 363.462 0.690 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000446369984 248388406 /nfs/dbraw/zinc/38/84/06/248388406.db2.gz IVYGLTXDRKMHJI-MZZPOWALSA-N 2 2 351.491 0.698 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000271170982 211350015 /nfs/dbraw/zinc/35/00/15/211350015.db2.gz XIJNGVBZUCEXIR-CVEARBPZSA-N 2 2 362.474 0.891 20 0 FCADLP NC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000270673957 211245778 /nfs/dbraw/zinc/24/57/78/211245778.db2.gz SOTIYZXTGPUZHR-CYBMUJFWSA-N 2 2 351.476 0.135 20 0 FCADLP NC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000270673957 211245785 /nfs/dbraw/zinc/24/57/85/211245785.db2.gz SOTIYZXTGPUZHR-CYBMUJFWSA-N 2 2 351.476 0.135 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000470020680 250021848 /nfs/dbraw/zinc/02/18/48/250021848.db2.gz KAFZOEAEVPHKNP-MRXNPFEDSA-N 2 2 365.499 0.734 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000470020680 250021849 /nfs/dbraw/zinc/02/18/49/250021849.db2.gz KAFZOEAEVPHKNP-MRXNPFEDSA-N 2 2 365.499 0.734 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000470352304 250038153 /nfs/dbraw/zinc/03/81/53/250038153.db2.gz FAWYFEMNOCQZQJ-UHFFFAOYSA-N 2 2 356.470 0.964 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470963487 250083708 /nfs/dbraw/zinc/08/37/08/250083708.db2.gz LEGPLZLTBURUMO-PVAVHDDUSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470963487 250083712 /nfs/dbraw/zinc/08/37/12/250083712.db2.gz LEGPLZLTBURUMO-PVAVHDDUSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470963487 250083717 /nfs/dbraw/zinc/08/37/17/250083717.db2.gz LEGPLZLTBURUMO-PVAVHDDUSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470963487 250083719 /nfs/dbraw/zinc/08/37/19/250083719.db2.gz LEGPLZLTBURUMO-PVAVHDDUSA-N 2 2 350.507 0.763 20 0 FCADLP COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000471209296 250092351 /nfs/dbraw/zinc/09/23/51/250092351.db2.gz YTVMKHQPOVWCID-OAHLLOKOSA-N 2 2 357.520 0.956 20 0 FCADLP COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000471209296 250092352 /nfs/dbraw/zinc/09/23/52/250092352.db2.gz YTVMKHQPOVWCID-OAHLLOKOSA-N 2 2 357.520 0.956 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000471753968 250119569 /nfs/dbraw/zinc/11/95/69/250119569.db2.gz AFJZBGLRYYEPDR-BPUTZDHNSA-N 2 2 354.474 0.972 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000471753968 250119574 /nfs/dbraw/zinc/11/95/74/250119574.db2.gz AFJZBGLRYYEPDR-BPUTZDHNSA-N 2 2 354.474 0.972 20 0 FCADLP CNC(=O)CC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000472471586 250150796 /nfs/dbraw/zinc/15/07/96/250150796.db2.gz TWQDVUYKAVOKLA-MRXNPFEDSA-N 2 2 373.501 0.967 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472750549 250178898 /nfs/dbraw/zinc/17/88/98/250178898.db2.gz LFHMGBYJPVRTLF-QZTJIDSGSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472750549 250178902 /nfs/dbraw/zinc/17/89/02/250178902.db2.gz LFHMGBYJPVRTLF-QZTJIDSGSA-N 2 2 352.523 0.726 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCSC1 ZINC000481785123 250359071 /nfs/dbraw/zinc/35/90/71/250359071.db2.gz UAZWFWOTUCWRND-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000481776739 250359909 /nfs/dbraw/zinc/35/99/09/250359909.db2.gz OBTPDOMQZVGGKA-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000481776739 250359914 /nfs/dbraw/zinc/35/99/14/250359914.db2.gz OBTPDOMQZVGGKA-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000482631766 250396562 /nfs/dbraw/zinc/39/65/62/250396562.db2.gz PDKKBJNGEJVIRN-GDBMZVCRSA-N 2 2 371.503 0.281 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413212489 532994494 /nfs/dbraw/zinc/99/44/94/532994494.db2.gz YUHAWVXCMANZMT-UKRRQHHQSA-N 2 2 351.451 0.574 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413212489 532994505 /nfs/dbraw/zinc/99/45/05/532994505.db2.gz YUHAWVXCMANZMT-UKRRQHHQSA-N 2 2 351.451 0.574 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC[N@H+](C)C1 ZINC000413157113 532994633 /nfs/dbraw/zinc/99/46/33/532994633.db2.gz SWUCRXJERHXJFX-CQSZACIVSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC[N@@H+](C)C1 ZINC000413157113 532994637 /nfs/dbraw/zinc/99/46/37/532994637.db2.gz SWUCRXJERHXJFX-CQSZACIVSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+](C)C1 ZINC000413897094 532999059 /nfs/dbraw/zinc/99/90/59/532999059.db2.gz AEDLDGYMBSTXSF-CRAIPNDOSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+](C)C1 ZINC000413897094 532999069 /nfs/dbraw/zinc/99/90/69/532999069.db2.gz AEDLDGYMBSTXSF-CRAIPNDOSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897094 532999071 /nfs/dbraw/zinc/99/90/71/532999071.db2.gz AEDLDGYMBSTXSF-CRAIPNDOSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897094 532999075 /nfs/dbraw/zinc/99/90/75/532999075.db2.gz AEDLDGYMBSTXSF-CRAIPNDOSA-N 2 2 359.470 0.996 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074134177 208051501 /nfs/dbraw/zinc/05/15/01/208051501.db2.gz PRIGUPYJULRLOC-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069804084 208035012 /nfs/dbraw/zinc/03/50/12/208035012.db2.gz DSFRUMDDXDJSFB-ZWKOTPCHSA-N 2 2 352.523 0.583 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069804084 208035016 /nfs/dbraw/zinc/03/50/16/208035016.db2.gz DSFRUMDDXDJSFB-ZWKOTPCHSA-N 2 2 352.523 0.583 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077553901 208072896 /nfs/dbraw/zinc/07/28/96/208072896.db2.gz OJWNMXLXJQOFCZ-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(NC(N)=O)CC3)CC2)c1 ZINC000081541956 208103121 /nfs/dbraw/zinc/10/31/21/208103121.db2.gz NEOCEJJTHTWTGB-UHFFFAOYSA-N 2 2 373.501 0.772 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004419 208127882 /nfs/dbraw/zinc/12/78/82/208127882.db2.gz SDEGRKRDJMQMSA-HNNXBMFYSA-N 2 2 358.508 0.631 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004419 208127888 /nfs/dbraw/zinc/12/78/88/208127888.db2.gz SDEGRKRDJMQMSA-HNNXBMFYSA-N 2 2 358.508 0.631 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083736847 208107158 /nfs/dbraw/zinc/10/71/58/208107158.db2.gz TWOQRSAUANBIAT-SFHVURJKSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000087133563 208114469 /nfs/dbraw/zinc/11/44/69/208114469.db2.gz AWAXRLVHMIAUOZ-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP CCO[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041306 208206422 /nfs/dbraw/zinc/20/64/22/208206422.db2.gz PYMLUSHXVDMFJO-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087714 208181555 /nfs/dbraw/zinc/18/15/55/208181555.db2.gz DVLXUAQKHUCMBH-INIZCTEOSA-N 2 2 361.490 0.580 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087714 208181560 /nfs/dbraw/zinc/18/15/60/208181560.db2.gz DVLXUAQKHUCMBH-INIZCTEOSA-N 2 2 361.490 0.580 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000105177871 208194201 /nfs/dbraw/zinc/19/42/01/208194201.db2.gz CNZDQDIUIQBVEI-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000105323548 208197860 /nfs/dbraw/zinc/19/78/60/208197860.db2.gz CLSCLFIKGOQFMK-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC1=O ZINC000105323548 208197865 /nfs/dbraw/zinc/19/78/65/208197865.db2.gz CLSCLFIKGOQFMK-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000105740009 208202574 /nfs/dbraw/zinc/20/25/74/208202574.db2.gz NQEOODXZFIZQDQ-LSDHHAIUSA-N 2 2 362.474 0.912 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371941 208242655 /nfs/dbraw/zinc/24/26/55/208242655.db2.gz ZXOAUDJAISPBAE-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371941 208242660 /nfs/dbraw/zinc/24/26/60/208242660.db2.gz ZXOAUDJAISPBAE-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000106403255 208224388 /nfs/dbraw/zinc/22/43/88/208224388.db2.gz RHQACUGFDOMQGO-WOJBJXKFSA-N 2 2 374.529 0.890 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000107368637 208239457 /nfs/dbraw/zinc/23/94/57/208239457.db2.gz SBWBDPFDDVXYLG-OAHLLOKOSA-N 2 2 363.462 0.317 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000107368637 208239461 /nfs/dbraw/zinc/23/94/61/208239461.db2.gz SBWBDPFDDVXYLG-OAHLLOKOSA-N 2 2 363.462 0.317 20 0 FCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220237 208275120 /nfs/dbraw/zinc/27/51/20/208275120.db2.gz IIIRTVJZKBQQBM-ZBFHGGJFSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220237 208275126 /nfs/dbraw/zinc/27/51/26/208275126.db2.gz IIIRTVJZKBQQBM-ZBFHGGJFSA-N 2 2 364.515 0.978 20 0 FCADLP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514037 208308276 /nfs/dbraw/zinc/30/82/76/208308276.db2.gz NMBKXRGXDUXVHF-MAUKXSAKSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514037 208308283 /nfs/dbraw/zinc/30/82/83/208308283.db2.gz NMBKXRGXDUXVHF-MAUKXSAKSA-N 2 2 359.470 0.996 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)Nc1nc(CNC(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC000114343629 208309959 /nfs/dbraw/zinc/30/99/59/208309959.db2.gz YEYPEFVYOPOOLK-OLZOCXBDSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)Nc1nc(CNC(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC000114343629 208309963 /nfs/dbraw/zinc/30/99/63/208309963.db2.gz YEYPEFVYOPOOLK-OLZOCXBDSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NCc1csc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000114343629 208309969 /nfs/dbraw/zinc/30/99/69/208309969.db2.gz YEYPEFVYOPOOLK-OLZOCXBDSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NCc1csc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000114343629 208309972 /nfs/dbraw/zinc/30/99/72/208309972.db2.gz YEYPEFVYOPOOLK-OLZOCXBDSA-N 2 2 351.476 0.886 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112204981 208291390 /nfs/dbraw/zinc/29/13/90/208291390.db2.gz UZSIRGTZZFQPRR-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112204980 208291590 /nfs/dbraw/zinc/29/15/90/208291590.db2.gz UZSIRGTZZFQPRR-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NCc3ccccc3)C2)CC1 ZINC000118834926 208351879 /nfs/dbraw/zinc/35/18/79/208351879.db2.gz GPVWXFMHDRCADR-SFHVURJKSA-N 2 2 373.501 0.724 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C2)CC1 ZINC000118834926 208351882 /nfs/dbraw/zinc/35/18/82/208351882.db2.gz GPVWXFMHDRCADR-SFHVURJKSA-N 2 2 373.501 0.724 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841703 208352562 /nfs/dbraw/zinc/35/25/62/208352562.db2.gz QYMDGHZWCFSGEN-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841703 208352563 /nfs/dbraw/zinc/35/25/63/208352563.db2.gz QYMDGHZWCFSGEN-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841703 208352566 /nfs/dbraw/zinc/35/25/66/208352566.db2.gz QYMDGHZWCFSGEN-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841703 208352567 /nfs/dbraw/zinc/35/25/67/208352567.db2.gz QYMDGHZWCFSGEN-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000120048733 208372285 /nfs/dbraw/zinc/37/22/85/208372285.db2.gz NUCDKPAIFOYFGC-JYJNAYRXSA-N 2 2 353.511 0.711 20 0 FCADLP COCC(COC)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000413477717 533101106 /nfs/dbraw/zinc/10/11/06/533101106.db2.gz QKGROUZREVVVRQ-UHFFFAOYSA-N 2 2 351.451 0.097 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C4CCOCC4)CC3)nc[nH+]2)C1 ZINC000176742631 209009808 /nfs/dbraw/zinc/00/98/08/209009808.db2.gz CXOJUQMWEFUFIN-MRXNPFEDSA-N 2 2 361.490 0.986 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000177468294 209026044 /nfs/dbraw/zinc/02/60/44/209026044.db2.gz MAXKCJHDRFSGLC-OAHLLOKOSA-N 2 2 363.506 0.608 20 0 FCADLP Cc1nc2ncnn2c(C)c1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177113460 209015724 /nfs/dbraw/zinc/01/57/24/209015724.db2.gz YKGJEMTYOGIKJX-UHFFFAOYSA-N 2 2 373.505 0.816 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000178788487 209061872 /nfs/dbraw/zinc/06/18/72/209061872.db2.gz SOMAOXSBFQDIAN-HNNXBMFYSA-N 2 2 360.462 0.124 20 0 FCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931991108 674159931 /nfs/dbraw/zinc/15/99/31/674159931.db2.gz UERBBPOUMIPKDK-BBWFWOEESA-N 2 2 355.479 0.093 20 0 FCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931991108 674159935 /nfs/dbraw/zinc/15/99/35/674159935.db2.gz UERBBPOUMIPKDK-BBWFWOEESA-N 2 2 355.479 0.093 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000179314093 209075714 /nfs/dbraw/zinc/07/57/14/209075714.db2.gz OGUWRVQMYYHRPW-INIZCTEOSA-N 2 2 363.510 0.726 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000167579703 229205838 /nfs/dbraw/zinc/20/58/38/229205838.db2.gz GAKBAOBQMULCAB-OAHLLOKOSA-N 2 2 350.507 0.968 20 0 FCADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803739 229224651 /nfs/dbraw/zinc/22/46/51/229224651.db2.gz OHKQBBNOMRONGP-BRWVUGGUSA-N 2 2 366.506 0.333 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000410469732 230091584 /nfs/dbraw/zinc/09/15/84/230091584.db2.gz OAACGMUISUJXSB-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@@H]1CC ZINC000410478077 230095893 /nfs/dbraw/zinc/09/58/93/230095893.db2.gz XUKXQAFMRAKSEZ-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@@H]1CC ZINC000410478077 230095896 /nfs/dbraw/zinc/09/58/96/230095896.db2.gz XUKXQAFMRAKSEZ-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H]1CC ZINC000410478077 230095900 /nfs/dbraw/zinc/09/59/00/230095900.db2.gz XUKXQAFMRAKSEZ-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H]1CC ZINC000410478077 230095905 /nfs/dbraw/zinc/09/59/05/230095905.db2.gz XUKXQAFMRAKSEZ-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP O=C(C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410489700 230100441 /nfs/dbraw/zinc/10/04/41/230100441.db2.gz AMCNMZLFCNKMER-MRXNPFEDSA-N 2 2 374.489 0.141 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410888071 230290434 /nfs/dbraw/zinc/29/04/34/230290434.db2.gz KBEFJRZHGBDGLO-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410892182 230292605 /nfs/dbraw/zinc/29/26/05/230292605.db2.gz VLZBLOSTINQFGE-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H]1CSCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000410951943 230321690 /nfs/dbraw/zinc/32/16/90/230321690.db2.gz AWOBAOWKDHLAOR-OAHLLOKOSA-N 2 2 370.563 0.682 20 0 FCADLP C[C@H]1CSCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000410951943 230321693 /nfs/dbraw/zinc/32/16/93/230321693.db2.gz AWOBAOWKDHLAOR-OAHLLOKOSA-N 2 2 370.563 0.682 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)C1 ZINC000329165743 488976151 /nfs/dbraw/zinc/97/61/51/488976151.db2.gz HISWSBKFQFTMAD-SFHVURJKSA-N 2 2 373.563 0.538 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000363648387 488868421 /nfs/dbraw/zinc/86/84/21/488868421.db2.gz JNYXYLJIFHCFOO-GOSISDBHSA-N 2 2 370.563 0.338 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)C1 ZINC000329165743 488976153 /nfs/dbraw/zinc/97/61/53/488976153.db2.gz HISWSBKFQFTMAD-SFHVURJKSA-N 2 2 373.563 0.538 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000511904784 484101572 /nfs/dbraw/zinc/10/15/72/484101572.db2.gz OBUYZECYNYQTBL-CQSZACIVSA-N 2 2 371.445 0.173 20 0 FCADLP OCCN1CC[NH+](CCCCNc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000544677448 484404722 /nfs/dbraw/zinc/40/47/22/484404722.db2.gz KIUJQFDCBZWXQD-UHFFFAOYSA-N 2 2 364.494 0.115 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C[C@@H]21 ZINC000562803366 491189610 /nfs/dbraw/zinc/18/96/10/491189610.db2.gz UKOKVXCTCPKVPI-HPFXQQBRSA-N 2 2 368.547 0.963 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363833080 488890626 /nfs/dbraw/zinc/89/06/26/488890626.db2.gz WXGUEOMVACJCDB-NXHRZFHOSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363833080 488890628 /nfs/dbraw/zinc/89/06/28/488890628.db2.gz WXGUEOMVACJCDB-NXHRZFHOSA-N 2 2 368.522 0.990 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c[nH+]1 ZINC000562789740 491189831 /nfs/dbraw/zinc/18/98/31/491189831.db2.gz RWVYHLZAUMLJSR-HNNXBMFYSA-N 2 2 360.462 0.253 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660966 488892217 /nfs/dbraw/zinc/89/22/17/488892217.db2.gz CLHCBENGRMVFKZ-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660966 488892222 /nfs/dbraw/zinc/89/22/22/488892222.db2.gz CLHCBENGRMVFKZ-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000278807698 488897323 /nfs/dbraw/zinc/89/73/23/488897323.db2.gz OZQJODJVWWDHCR-ULQDDVLXSA-N 2 2 367.877 0.631 20 0 FCADLP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000278879747 488902622 /nfs/dbraw/zinc/90/26/22/488902622.db2.gz XSVUBDCLLHEEND-ZFWWWQNUSA-N 2 2 365.430 0.650 20 0 FCADLP Cn1c(=O)cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n(C)c1=O ZINC000278930216 488905580 /nfs/dbraw/zinc/90/55/80/488905580.db2.gz SQPAFQOEMWFEMC-UHFFFAOYSA-N 2 2 357.458 0.996 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278945484 488906694 /nfs/dbraw/zinc/90/66/94/488906694.db2.gz GOUYTMNTFPIWIS-CABCVRRESA-N 2 2 374.489 0.255 20 0 FCADLP COc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000325626214 488911089 /nfs/dbraw/zinc/91/10/89/488911089.db2.gz UJUWSCXTZIBHPU-GFCCVEGCSA-N 2 2 356.854 0.287 20 0 FCADLP COc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000325626214 488911091 /nfs/dbraw/zinc/91/10/91/488911091.db2.gz UJUWSCXTZIBHPU-GFCCVEGCSA-N 2 2 356.854 0.287 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000287852741 488913322 /nfs/dbraw/zinc/91/33/22/488913322.db2.gz MLRLNNMUZZWRPR-CKEIUWERSA-N 2 2 360.462 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000287852741 488913326 /nfs/dbraw/zinc/91/33/26/488913326.db2.gz MLRLNNMUZZWRPR-CKEIUWERSA-N 2 2 360.462 0.620 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279104942 488917543 /nfs/dbraw/zinc/91/75/43/488917543.db2.gz XQKZEZXADGWBDL-HNNXBMFYSA-N 2 2 371.489 0.795 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000364048081 488917634 /nfs/dbraw/zinc/91/76/34/488917634.db2.gz NOGAWZXVCGJLTN-FUHWJXTLSA-N 2 2 371.547 0.987 20 0 FCADLP CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364050084 488918437 /nfs/dbraw/zinc/91/84/37/488918437.db2.gz JAAHSMOFLKOWHE-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000364050084 488918440 /nfs/dbraw/zinc/91/84/40/488918440.db2.gz JAAHSMOFLKOWHE-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000288117475 488945310 /nfs/dbraw/zinc/94/53/10/488945310.db2.gz XTIIEMJVSCYWNB-CVEARBPZSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000288117475 488945314 /nfs/dbraw/zinc/94/53/14/488945314.db2.gz XTIIEMJVSCYWNB-CVEARBPZSA-N 2 2 373.501 0.886 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364309215 488946292 /nfs/dbraw/zinc/94/62/92/488946292.db2.gz OXPJFKLEZOCFDK-SFHVURJKSA-N 2 2 352.523 0.631 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364309215 488946293 /nfs/dbraw/zinc/94/62/93/488946293.db2.gz OXPJFKLEZOCFDK-SFHVURJKSA-N 2 2 352.523 0.631 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364343369 488949855 /nfs/dbraw/zinc/94/98/55/488949855.db2.gz JFBUNSZUDXDYOQ-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364343369 488949859 /nfs/dbraw/zinc/94/98/59/488949859.db2.gz JFBUNSZUDXDYOQ-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000328966074 488955944 /nfs/dbraw/zinc/95/59/44/488955944.db2.gz MRQLORNLAJPWHN-IRXDYDNUSA-N 2 2 359.474 0.135 20 0 FCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000328966074 488955948 /nfs/dbraw/zinc/95/59/48/488955948.db2.gz MRQLORNLAJPWHN-IRXDYDNUSA-N 2 2 359.474 0.135 20 0 FCADLP O=C1OCC[C@@]12CCC[NH+]2CCOCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000364446288 488960966 /nfs/dbraw/zinc/96/09/66/488960966.db2.gz STJMQWKGGZRHSL-ROUUACIJSA-N 2 2 352.431 0.566 20 0 FCADLP O=C1OCC[C@@]12CCC[NH+]2CCOCC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000364446288 488960970 /nfs/dbraw/zinc/96/09/70/488960970.db2.gz STJMQWKGGZRHSL-ROUUACIJSA-N 2 2 352.431 0.566 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000364411224 488957478 /nfs/dbraw/zinc/95/74/78/488957478.db2.gz XBFBZIYDQLAZKU-INIZCTEOSA-N 2 2 368.547 0.830 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000025417365 487666323 /nfs/dbraw/zinc/66/63/23/487666323.db2.gz PNNMEBXUZRKKGQ-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000025417365 487666327 /nfs/dbraw/zinc/66/63/27/487666327.db2.gz PNNMEBXUZRKKGQ-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000041171965 487818685 /nfs/dbraw/zinc/81/86/85/487818685.db2.gz QGWUIZXWHROFGO-CQSZACIVSA-N 2 2 350.467 0.561 20 0 FCADLP CC[NH+](CC)CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000043003521 487887065 /nfs/dbraw/zinc/88/70/65/487887065.db2.gz AJJAIKQCBUPCRQ-UHFFFAOYSA-N 2 2 374.493 0.927 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000329039901 488962683 /nfs/dbraw/zinc/96/26/83/488962683.db2.gz HWHBAGLOUVAIRS-KRWDZBQOSA-N 2 2 366.506 0.111 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000329039901 488962686 /nfs/dbraw/zinc/96/26/86/488962686.db2.gz HWHBAGLOUVAIRS-KRWDZBQOSA-N 2 2 366.506 0.111 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046090766 487967010 /nfs/dbraw/zinc/96/70/10/487967010.db2.gz WSJZIMLBMZDDMM-UHFFFAOYSA-N 2 2 353.507 0.842 20 0 FCADLP NC(=O)CC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000048025850 488055969 /nfs/dbraw/zinc/05/59/69/488055969.db2.gz QYOJIRYSRMZXNM-UHFFFAOYSA-N 2 2 364.515 0.980 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(-n4cncn4)c3)CC2)CC1 ZINC000050797331 488114151 /nfs/dbraw/zinc/11/41/51/488114151.db2.gz VNEZRCCPOLFGFA-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCN(C(N)=O)C3)CC2)CC1 ZINC000050800638 488115479 /nfs/dbraw/zinc/11/54/79/488115479.db2.gz TVDVBYVECZDUKT-AWEZNQCLSA-N 2 2 351.495 0.452 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(CC(=O)N(C)C)CC3)c2cc1C ZINC000051127107 488123573 /nfs/dbraw/zinc/12/35/73/488123573.db2.gz INLYHCNEEFMJJB-QGZVFWFLSA-N 2 2 373.501 0.720 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)NC(C)(C)C)CC2)CC1 ZINC000051759295 488142890 /nfs/dbraw/zinc/14/28/90/488142890.db2.gz GMGCWXXXEARPEC-UHFFFAOYSA-N 2 2 353.511 0.759 20 0 FCADLP Cc1cc2ncn(C[C@H](O)C[NH+]3CCN(C(=O)C[NH+](C)C)CC3)c2cc1C ZINC000051763599 488144886 /nfs/dbraw/zinc/14/48/86/488144886.db2.gz RIEDFAIPVYVBSK-QGZVFWFLSA-N 2 2 373.501 0.720 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052288990 488162137 /nfs/dbraw/zinc/16/21/37/488162137.db2.gz BUFYWXNFFYDKIQ-UHFFFAOYSA-N 2 2 372.477 0.493 20 0 FCADLP O=C(C[N@H+]1CCCC[C@@H]1CO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052871571 488185058 /nfs/dbraw/zinc/18/50/58/488185058.db2.gz HMFDYQHGSIEMJE-LJQANCHMSA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@@H+]1CCCC[C@@H]1CO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052871571 488185065 /nfs/dbraw/zinc/18/50/65/488185065.db2.gz HMFDYQHGSIEMJE-LJQANCHMSA-N 2 2 361.486 0.982 20 0 FCADLP CC1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000063863245 488309864 /nfs/dbraw/zinc/30/98/64/488309864.db2.gz GFMNRHKDEFBQCT-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066914053 488340080 /nfs/dbraw/zinc/34/00/80/488340080.db2.gz WRLVATVYLRALSG-JZXOWHBKSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066914053 488340082 /nfs/dbraw/zinc/34/00/82/488340082.db2.gz WRLVATVYLRALSG-JZXOWHBKSA-N 2 2 368.522 0.353 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3cscn3)CC2)CC1 ZINC000068333995 488364044 /nfs/dbraw/zinc/36/40/44/488364044.db2.gz ILJZUYBBKODHAV-OAHLLOKOSA-N 2 2 351.520 0.813 20 0 FCADLP C[NH2+][C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000569807735 491193643 /nfs/dbraw/zinc/19/36/43/491193643.db2.gz NWNCFJZBYAZOPZ-KRWDZBQOSA-N 3 2 362.522 0.747 20 0 FCADLP C[NH2+][C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnn(C)c1 ZINC000569807735 491193644 /nfs/dbraw/zinc/19/36/44/491193644.db2.gz NWNCFJZBYAZOPZ-KRWDZBQOSA-N 2 2 362.522 0.747 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000069401940 488372388 /nfs/dbraw/zinc/37/23/88/488372388.db2.gz YDOKADGNVQKWHJ-UHFFFAOYSA-N 2 2 362.478 0.499 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cn2c1 ZINC000069410414 488372479 /nfs/dbraw/zinc/37/24/79/488372479.db2.gz QSKYJZKVRNICGG-UHFFFAOYSA-N 2 2 372.473 0.995 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073527270 488384727 /nfs/dbraw/zinc/38/47/27/488384727.db2.gz IQYFZDQLICGFKM-MSOLQXFVSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073527270 488384728 /nfs/dbraw/zinc/38/47/28/488384728.db2.gz IQYFZDQLICGFKM-MSOLQXFVSA-N 2 2 368.522 0.849 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000073583214 488385134 /nfs/dbraw/zinc/38/51/34/488385134.db2.gz ONDITLQOONEOMU-RBUKOAKNSA-N 2 2 361.486 0.767 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000073583214 488385135 /nfs/dbraw/zinc/38/51/35/488385135.db2.gz ONDITLQOONEOMU-RBUKOAKNSA-N 2 2 361.486 0.767 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccsc1 ZINC000073658628 488385677 /nfs/dbraw/zinc/38/56/77/488385677.db2.gz JPNFOXQPCWGICH-DOTOQJQBSA-N 2 2 370.519 0.733 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000073778558 488386330 /nfs/dbraw/zinc/38/63/30/488386330.db2.gz BLXMSVPJBMEJSL-MRXNPFEDSA-N 2 2 361.494 0.382 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000073778558 488386331 /nfs/dbraw/zinc/38/63/31/488386331.db2.gz BLXMSVPJBMEJSL-MRXNPFEDSA-N 2 2 361.494 0.382 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000074110433 488387568 /nfs/dbraw/zinc/38/75/68/488387568.db2.gz RYHDHLRYQVHCFH-FGTMMUONSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000074110433 488387569 /nfs/dbraw/zinc/38/75/69/488387569.db2.gz RYHDHLRYQVHCFH-FGTMMUONSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000074110581 488387624 /nfs/dbraw/zinc/38/76/24/488387624.db2.gz GFGMIMAFHIXFMA-BBWFWOEESA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182696938 488389128 /nfs/dbraw/zinc/38/91/28/488389128.db2.gz YHAQZNIHFCDXOP-AWEZNQCLSA-N 2 2 354.476 0.143 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000074267351 488389521 /nfs/dbraw/zinc/38/95/21/488389521.db2.gz BVTRGWWWKBZZLJ-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000074267351 488389524 /nfs/dbraw/zinc/38/95/24/488389524.db2.gz BVTRGWWWKBZZLJ-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000074255543 488389620 /nfs/dbraw/zinc/38/96/20/488389620.db2.gz ORWLBVKPNSBLTJ-UHFFFAOYSA-N 2 2 355.442 0.825 20 0 FCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000074536595 488392754 /nfs/dbraw/zinc/39/27/54/488392754.db2.gz XGJGBVPMLIHYET-KRWDZBQOSA-N 2 2 353.467 0.422 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000076003900 488400623 /nfs/dbraw/zinc/40/06/23/488400623.db2.gz GYIMYJRMYFHVQB-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000076003900 488400625 /nfs/dbraw/zinc/40/06/25/488400625.db2.gz GYIMYJRMYFHVQB-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000076425260 488404060 /nfs/dbraw/zinc/40/40/60/488404060.db2.gz BONQKAMPPOUZEK-UHFFFAOYSA-N 2 2 372.513 0.903 20 0 FCADLP Cc1cccn2cc(CC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)[nH+]c12 ZINC000076458693 488404828 /nfs/dbraw/zinc/40/48/28/488404828.db2.gz ZPPIWDMONURUQF-OAHLLOKOSA-N 2 2 357.458 0.889 20 0 FCADLP Cc1cccn2cc(CC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)[nH+]c12 ZINC000076458693 488404829 /nfs/dbraw/zinc/40/48/29/488404829.db2.gz ZPPIWDMONURUQF-OAHLLOKOSA-N 2 2 357.458 0.889 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076599369 488406012 /nfs/dbraw/zinc/40/60/12/488406012.db2.gz ZEPKDROAPGKDGJ-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[NH+]3CCCCC3)nc2)CC1 ZINC000076921403 488407611 /nfs/dbraw/zinc/40/76/11/488407611.db2.gz WWPALTKOQIOQFJ-UHFFFAOYSA-N 2 2 367.519 0.916 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1)N1CCCC1 ZINC000076982573 488408060 /nfs/dbraw/zinc/40/80/60/488408060.db2.gz CKTNSGLRJGNYSG-KRWDZBQOSA-N 2 2 363.506 0.420 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1)N1CCCC1 ZINC000076982573 488408062 /nfs/dbraw/zinc/40/80/62/488408062.db2.gz CKTNSGLRJGNYSG-KRWDZBQOSA-N 2 2 363.506 0.420 20 0 FCADLP O=C(C[N@@H+](CCO)C1CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000076993369 488408334 /nfs/dbraw/zinc/40/83/34/488408334.db2.gz FEVSEJFPACZWLT-UHFFFAOYSA-N 2 2 359.470 0.722 20 0 FCADLP O=C(C[N@H+](CCO)C1CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000076993369 488408336 /nfs/dbraw/zinc/40/83/36/488408336.db2.gz FEVSEJFPACZWLT-UHFFFAOYSA-N 2 2 359.470 0.722 20 0 FCADLP CC(=O)N[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000077170069 488409111 /nfs/dbraw/zinc/40/91/11/488409111.db2.gz YJCYYYROYMFKRA-QGZVFWFLSA-N 2 2 359.474 0.721 20 0 FCADLP CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000077170069 488409112 /nfs/dbraw/zinc/40/91/12/488409112.db2.gz YJCYYYROYMFKRA-QGZVFWFLSA-N 2 2 359.474 0.721 20 0 FCADLP CCO[C@@H]1C[C@@](O)(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000191296370 488419714 /nfs/dbraw/zinc/41/97/14/488419714.db2.gz RXPSUOSIDITRCV-VQIMIIECSA-N 2 2 370.538 0.878 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000191487372 488419977 /nfs/dbraw/zinc/41/99/77/488419977.db2.gz SKFSSMXLZQOZOK-UHFFFAOYSA-N 2 2 373.461 0.631 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000192496784 488422868 /nfs/dbraw/zinc/42/28/68/488422868.db2.gz ZIQIHVDXIVNBAY-MUYFXNHWSA-N 2 2 368.522 0.897 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000192496784 488422869 /nfs/dbraw/zinc/42/28/69/488422869.db2.gz ZIQIHVDXIVNBAY-MUYFXNHWSA-N 2 2 368.522 0.897 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000192934995 488425168 /nfs/dbraw/zinc/42/51/68/488425168.db2.gz BDXUZDDCOUPIFU-UHFFFAOYSA-N 2 2 373.523 0.062 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079136282 488427837 /nfs/dbraw/zinc/42/78/37/488427837.db2.gz UHZFDNFTHDZCGA-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000079167973 488427869 /nfs/dbraw/zinc/42/78/69/488427869.db2.gz VPAWCLMOLXJLGM-GOSISDBHSA-N 2 2 367.538 0.519 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000079167973 488427871 /nfs/dbraw/zinc/42/78/71/488427871.db2.gz VPAWCLMOLXJLGM-GOSISDBHSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccsc1 ZINC000079235342 488428592 /nfs/dbraw/zinc/42/85/92/488428592.db2.gz QIEZVNLXEKMRKP-OAHLLOKOSA-N 2 2 367.519 0.814 20 0 FCADLP CC[NH+]1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000079181986 488428691 /nfs/dbraw/zinc/42/86/91/488428691.db2.gz RLWTXNVAKPPEQK-UHFFFAOYSA-N 2 2 373.501 0.921 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000079270300 488429255 /nfs/dbraw/zinc/42/92/55/488429255.db2.gz ZDKBMQOZNSCJEQ-QGZVFWFLSA-N 2 2 365.522 0.668 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000079270300 488429257 /nfs/dbraw/zinc/42/92/57/488429257.db2.gz ZDKBMQOZNSCJEQ-QGZVFWFLSA-N 2 2 365.522 0.668 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000080007868 488432861 /nfs/dbraw/zinc/43/28/61/488432861.db2.gz OICUETRZFRJWQS-MRXNPFEDSA-N 2 2 373.505 0.382 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000080007868 488432862 /nfs/dbraw/zinc/43/28/62/488432862.db2.gz OICUETRZFRJWQS-MRXNPFEDSA-N 2 2 373.505 0.382 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCn1cc[nH+]c1 ZINC000194997931 488435124 /nfs/dbraw/zinc/43/51/24/488435124.db2.gz LSNZUCXFGWAXTB-UHFFFAOYSA-N 2 2 371.445 0.316 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000195016891 488435352 /nfs/dbraw/zinc/43/53/52/488435352.db2.gz BIBPNQODJONQPI-MRXNPFEDSA-N 2 2 374.489 0.514 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000195016891 488435353 /nfs/dbraw/zinc/43/53/53/488435353.db2.gz BIBPNQODJONQPI-MRXNPFEDSA-N 2 2 374.489 0.514 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000081006145 488438942 /nfs/dbraw/zinc/43/89/42/488438942.db2.gz YZDAUVBIDCUPHU-ZDUSSCGKSA-N 2 2 353.385 0.430 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000081006145 488438944 /nfs/dbraw/zinc/43/89/44/488438944.db2.gz YZDAUVBIDCUPHU-ZDUSSCGKSA-N 2 2 353.385 0.430 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000569851985 491198821 /nfs/dbraw/zinc/19/88/21/491198821.db2.gz OEKFDTHLGGKSHX-UHFFFAOYSA-N 2 2 357.462 0.179 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1)C(C)C ZINC000562884813 491198967 /nfs/dbraw/zinc/19/89/67/491198967.db2.gz IJVKSVLNKISPSI-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633704 488443527 /nfs/dbraw/zinc/44/35/27/488443527.db2.gz DUEXBLRDAUZHMG-GDBMZVCRSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633704 488443529 /nfs/dbraw/zinc/44/35/29/488443529.db2.gz DUEXBLRDAUZHMG-GDBMZVCRSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633704 488443530 /nfs/dbraw/zinc/44/35/30/488443530.db2.gz DUEXBLRDAUZHMG-GDBMZVCRSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633704 488443532 /nfs/dbraw/zinc/44/35/32/488443532.db2.gz DUEXBLRDAUZHMG-GDBMZVCRSA-N 2 2 350.507 0.763 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2cccc(C(N)=O)c2)CC1 ZINC000081843565 488444579 /nfs/dbraw/zinc/44/45/79/488444579.db2.gz NRADJPGVDIYWNC-UHFFFAOYSA-N 2 2 362.474 0.697 20 0 FCADLP C[N@H+](CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000268760736 488448034 /nfs/dbraw/zinc/44/80/34/488448034.db2.gz GWBQQDCOKPYBAG-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@@H+](CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000268760736 488448037 /nfs/dbraw/zinc/44/80/37/488448037.db2.gz GWBQQDCOKPYBAG-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCN(C)CC1 ZINC000083698563 488448207 /nfs/dbraw/zinc/44/82/07/488448207.db2.gz IFCYWOXJLZDZLZ-INIZCTEOSA-N 2 2 365.526 0.557 20 0 FCADLP CC(C)[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)N1CC[NH+](C)CC1 ZINC000083698563 488448208 /nfs/dbraw/zinc/44/82/08/488448208.db2.gz IFCYWOXJLZDZLZ-INIZCTEOSA-N 2 2 365.526 0.557 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000083715085 488448387 /nfs/dbraw/zinc/44/83/87/488448387.db2.gz XPPPUMUZCXBYNB-IAGOWNOFSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000083712521 488448519 /nfs/dbraw/zinc/44/85/19/488448519.db2.gz RWNOOPJPOZANOX-DLBZAZTESA-N 2 2 356.511 0.443 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000083735943 488448698 /nfs/dbraw/zinc/44/86/98/488448698.db2.gz ZYWYLJLTCIVMAW-ZWKOTPCHSA-N 2 2 368.522 0.585 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000083735943 488448699 /nfs/dbraw/zinc/44/86/99/488448699.db2.gz ZYWYLJLTCIVMAW-ZWKOTPCHSA-N 2 2 368.522 0.585 20 0 FCADLP CNC(=O)N1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000084714854 488450630 /nfs/dbraw/zinc/45/06/30/488450630.db2.gz XVTXXLGTHYDNDY-UHFFFAOYSA-N 2 2 360.462 0.077 20 0 FCADLP OCC1(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)COC1 ZINC000084881690 488451129 /nfs/dbraw/zinc/45/11/29/488451129.db2.gz XFAWGBPRIBTCNR-GOSISDBHSA-N 2 2 360.502 0.925 20 0 FCADLP OCC1(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)COC1 ZINC000084881690 488451130 /nfs/dbraw/zinc/45/11/30/488451130.db2.gz XFAWGBPRIBTCNR-GOSISDBHSA-N 2 2 360.502 0.925 20 0 FCADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CN1CC[NH2+]CC1=O ZINC000236865575 488453830 /nfs/dbraw/zinc/45/38/30/488453830.db2.gz PTENEJLNNGGINT-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH2+]CC1=O ZINC000236895065 488453967 /nfs/dbraw/zinc/45/39/67/488453967.db2.gz MQKSLEHVNGTGKO-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH2+]CC1=O ZINC000236895065 488453970 /nfs/dbraw/zinc/45/39/70/488453970.db2.gz MQKSLEHVNGTGKO-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000087136785 488454084 /nfs/dbraw/zinc/45/40/84/488454084.db2.gz GRWMZROFKHCUMH-SJORKVTESA-N 2 2 365.522 0.666 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000087136785 488454086 /nfs/dbraw/zinc/45/40/86/488454086.db2.gz GRWMZROFKHCUMH-SJORKVTESA-N 2 2 365.522 0.666 20 0 FCADLP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000268900274 488455949 /nfs/dbraw/zinc/45/59/49/488455949.db2.gz LDOCIGLGUWOBPD-CQSZACIVSA-N 2 2 368.503 0.237 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000089885694 488457948 /nfs/dbraw/zinc/45/79/48/488457948.db2.gz ZLHVFDPTDRZENJ-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000238105581 488458918 /nfs/dbraw/zinc/45/89/18/488458918.db2.gz SWYFCLORQAHOFR-UHFFFAOYSA-N 2 2 373.501 0.137 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)N1CCCC1 ZINC000238134807 488458942 /nfs/dbraw/zinc/45/89/42/488458942.db2.gz WYSQIRONMGPRGR-IBGZPJMESA-N 2 2 370.497 0.858 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)N1CCCC1 ZINC000238134807 488458945 /nfs/dbraw/zinc/45/89/45/488458945.db2.gz WYSQIRONMGPRGR-IBGZPJMESA-N 2 2 370.497 0.858 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000090027045 488459855 /nfs/dbraw/zinc/45/98/55/488459855.db2.gz AEUVRJDOZIPAQY-GOEBONIOSA-N 2 2 372.535 0.243 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000090027045 488459856 /nfs/dbraw/zinc/45/98/56/488459856.db2.gz AEUVRJDOZIPAQY-GOEBONIOSA-N 2 2 372.535 0.243 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCC[N@H+](C)C3)nc2)CC1 ZINC000091482786 488464127 /nfs/dbraw/zinc/46/41/27/488464127.db2.gz ZXSTZWSFMRXNFY-OAHLLOKOSA-N 2 2 367.519 0.771 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCC[N@@H+](C)C3)nc2)CC1 ZINC000091482786 488464129 /nfs/dbraw/zinc/46/41/29/488464129.db2.gz ZXSTZWSFMRXNFY-OAHLLOKOSA-N 2 2 367.519 0.771 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000245838732 488466344 /nfs/dbraw/zinc/46/63/44/488466344.db2.gz XRFUIKXAEAKSIM-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](N4CCNC4=O)C3)cn2)CC1 ZINC000092188887 488474480 /nfs/dbraw/zinc/47/44/80/488474480.db2.gz YPWKJQNOROBNFR-INIZCTEOSA-N 2 2 359.478 0.218 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](N4CCNC4=O)C3)cn2)CC1 ZINC000092188887 488474482 /nfs/dbraw/zinc/47/44/82/488474482.db2.gz YPWKJQNOROBNFR-INIZCTEOSA-N 2 2 359.478 0.218 20 0 FCADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000269164154 488475459 /nfs/dbraw/zinc/47/54/59/488475459.db2.gz BUYRCDYQBXGINJ-KRWDZBQOSA-N 2 2 372.469 0.304 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269228307 488480735 /nfs/dbraw/zinc/48/07/35/488480735.db2.gz GRASVCHFAPINIY-APWZRJJASA-N 2 2 371.485 0.638 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247382587 488485327 /nfs/dbraw/zinc/48/53/27/488485327.db2.gz FPOOFDNJSHDJQG-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247382587 488485329 /nfs/dbraw/zinc/48/53/29/488485329.db2.gz FPOOFDNJSHDJQG-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000247465424 488486499 /nfs/dbraw/zinc/48/64/99/488486499.db2.gz REGNXRVQDYDBMK-IRXDYDNUSA-N 2 2 373.505 0.477 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000247465424 488486502 /nfs/dbraw/zinc/48/65/02/488486502.db2.gz REGNXRVQDYDBMK-IRXDYDNUSA-N 2 2 373.505 0.477 20 0 FCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCCN1CCOCC1 ZINC000097727422 488493145 /nfs/dbraw/zinc/49/31/45/488493145.db2.gz RDWVPXZIZWWJIL-LJQANCHMSA-N 2 2 354.539 0.437 20 0 FCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCCN1CCOCC1 ZINC000097727422 488493150 /nfs/dbraw/zinc/49/31/50/488493150.db2.gz RDWVPXZIZWWJIL-LJQANCHMSA-N 2 2 354.539 0.437 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000097727422 488493151 /nfs/dbraw/zinc/49/31/51/488493151.db2.gz RDWVPXZIZWWJIL-LJQANCHMSA-N 2 2 354.539 0.437 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000097727422 488493154 /nfs/dbraw/zinc/49/31/54/488493154.db2.gz RDWVPXZIZWWJIL-LJQANCHMSA-N 2 2 354.539 0.437 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000248200448 488494109 /nfs/dbraw/zinc/49/41/09/488494109.db2.gz YMZIEUHBOXLKNR-NVXWUHKLSA-N 2 2 367.515 0.864 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000248200448 488494110 /nfs/dbraw/zinc/49/41/10/488494110.db2.gz YMZIEUHBOXLKNR-NVXWUHKLSA-N 2 2 367.515 0.864 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248584462 488498865 /nfs/dbraw/zinc/49/88/65/488498865.db2.gz FYITVMSQIPTXBW-QZWWFDLISA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000248584462 488498867 /nfs/dbraw/zinc/49/88/67/488498867.db2.gz FYITVMSQIPTXBW-QZWWFDLISA-N 2 2 370.538 0.971 20 0 FCADLP CNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000102792483 488499057 /nfs/dbraw/zinc/49/90/57/488499057.db2.gz UXRQYFGVAMPMJE-UHFFFAOYSA-N 2 2 372.491 0.286 20 0 FCADLP CNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000102792483 488499059 /nfs/dbraw/zinc/49/90/59/488499059.db2.gz UXRQYFGVAMPMJE-UHFFFAOYSA-N 2 2 372.491 0.286 20 0 FCADLP Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103211078 488499962 /nfs/dbraw/zinc/49/99/62/488499962.db2.gz UOQQSRDSTIHKAG-UHFFFAOYSA-N 2 2 355.504 0.964 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000103168834 488500184 /nfs/dbraw/zinc/50/01/84/488500184.db2.gz YANCZJCCHIBTFW-INIZCTEOSA-N 2 2 351.447 0.397 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248668632 488500636 /nfs/dbraw/zinc/50/06/36/488500636.db2.gz AISLZHUUTDVMMV-KURKYZTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248668632 488500638 /nfs/dbraw/zinc/50/06/38/488500638.db2.gz AISLZHUUTDVMMV-KURKYZTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248668632 488500640 /nfs/dbraw/zinc/50/06/40/488500640.db2.gz AISLZHUUTDVMMV-KURKYZTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248668632 488500642 /nfs/dbraw/zinc/50/06/42/488500642.db2.gz AISLZHUUTDVMMV-KURKYZTESA-N 2 2 369.554 0.811 20 0 FCADLP CC(C)[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000103508604 488502451 /nfs/dbraw/zinc/50/24/51/488502451.db2.gz RATRFIGEQJDFEZ-SFHVURJKSA-N 2 2 369.554 0.670 20 0 FCADLP CC(C)[C@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000103508604 488502454 /nfs/dbraw/zinc/50/24/54/488502454.db2.gz RATRFIGEQJDFEZ-SFHVURJKSA-N 2 2 369.554 0.670 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780531 488505654 /nfs/dbraw/zinc/50/56/54/488505654.db2.gz SOMQBJMLCKJCOB-OAHLLOKOSA-N 2 2 372.473 0.763 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000104780531 488505656 /nfs/dbraw/zinc/50/56/56/488505656.db2.gz SOMQBJMLCKJCOB-OAHLLOKOSA-N 2 2 372.473 0.763 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000249082757 488505901 /nfs/dbraw/zinc/50/59/01/488505901.db2.gz HUHMRQVABBPPAD-MOPGFXCFSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000249082757 488505903 /nfs/dbraw/zinc/50/59/03/488505903.db2.gz HUHMRQVABBPPAD-MOPGFXCFSA-N 2 2 374.529 0.718 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1CC1 ZINC000104801473 488506067 /nfs/dbraw/zinc/50/60/67/488506067.db2.gz VHERRXNULYQKSK-AWEZNQCLSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249096844 488506279 /nfs/dbraw/zinc/50/62/79/488506279.db2.gz IPSHJWZAPILTBE-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249096844 488506281 /nfs/dbraw/zinc/50/62/81/488506281.db2.gz IPSHJWZAPILTBE-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000249082194 488506454 /nfs/dbraw/zinc/50/64/54/488506454.db2.gz DFZPHYOTJVAJPS-DLBZAZTESA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000249082194 488506455 /nfs/dbraw/zinc/50/64/55/488506455.db2.gz DFZPHYOTJVAJPS-DLBZAZTESA-N 2 2 370.538 0.830 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105134950 488507834 /nfs/dbraw/zinc/50/78/34/488507834.db2.gz NOCKWYGXUKUSJA-QZTJIDSGSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105134950 488507836 /nfs/dbraw/zinc/50/78/36/488507836.db2.gz NOCKWYGXUKUSJA-QZTJIDSGSA-N 2 2 369.554 0.813 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105233193 488508766 /nfs/dbraw/zinc/50/87/66/488508766.db2.gz WKHVRZIFRRJJCZ-JKSUJKDBSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@@H](CO)O1 ZINC000249490690 488510506 /nfs/dbraw/zinc/51/05/06/488510506.db2.gz VGRXGFNHUNAUOI-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@@H](CO)O1 ZINC000249490690 488510509 /nfs/dbraw/zinc/51/05/09/488510509.db2.gz VGRXGFNHUNAUOI-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@@H](CO)O1 ZINC000249490690 488510510 /nfs/dbraw/zinc/51/05/10/488510510.db2.gz VGRXGFNHUNAUOI-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@@H](CO)O1 ZINC000249490690 488510513 /nfs/dbraw/zinc/51/05/13/488510513.db2.gz VGRXGFNHUNAUOI-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP CN(C(=O)CC(F)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041172 488511156 /nfs/dbraw/zinc/51/11/56/488511156.db2.gz YEBSJZGEENUGKF-UHFFFAOYSA-N 2 2 364.412 0.636 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249556405 488512284 /nfs/dbraw/zinc/51/22/84/488512284.db2.gz JVWUWSDJDOVTHS-YWZLYKJASA-N 2 2 374.485 0.932 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249556405 488512285 /nfs/dbraw/zinc/51/22/85/488512285.db2.gz JVWUWSDJDOVTHS-YWZLYKJASA-N 2 2 374.485 0.932 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249556405 488512286 /nfs/dbraw/zinc/51/22/86/488512286.db2.gz JVWUWSDJDOVTHS-YWZLYKJASA-N 2 2 374.485 0.932 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249556405 488512287 /nfs/dbraw/zinc/51/22/87/488512287.db2.gz JVWUWSDJDOVTHS-YWZLYKJASA-N 2 2 374.485 0.932 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000106386827 488513643 /nfs/dbraw/zinc/51/36/43/488513643.db2.gz DLDQQEGPEAMGBO-ZIFCJYIRSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000106386827 488513646 /nfs/dbraw/zinc/51/36/46/488513646.db2.gz DLDQQEGPEAMGBO-ZIFCJYIRSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000106386827 488513650 /nfs/dbraw/zinc/51/36/50/488513650.db2.gz DLDQQEGPEAMGBO-ZIFCJYIRSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000106386827 488513651 /nfs/dbraw/zinc/51/36/51/488513651.db2.gz DLDQQEGPEAMGBO-ZIFCJYIRSA-N 2 2 365.522 0.398 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000107329364 488517429 /nfs/dbraw/zinc/51/74/29/488517429.db2.gz KSRRNKMVGOMIQS-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000107329961 488517584 /nfs/dbraw/zinc/51/75/84/488517584.db2.gz XOICWTFHWWWRRO-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000253550786 488521556 /nfs/dbraw/zinc/52/15/56/488521556.db2.gz XWIZNJKLHSMMPV-SZMVWBNQSA-N 2 2 353.507 0.959 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)O1 ZINC000261621628 488528058 /nfs/dbraw/zinc/52/80/58/488528058.db2.gz CHFXBKDIBVTCPR-SJORKVTESA-N 2 2 350.438 0.570 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000111291444 488529180 /nfs/dbraw/zinc/52/91/80/488529180.db2.gz HJJQMHDBULLQMG-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000111291444 488529181 /nfs/dbraw/zinc/52/91/81/488529181.db2.gz HJJQMHDBULLQMG-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCOCC2)cc1 ZINC000111573972 488530112 /nfs/dbraw/zinc/53/01/12/488530112.db2.gz WQENLGXIWSHRMX-LJQANCHMSA-N 2 2 360.502 0.732 20 0 FCADLP Cc1ccc([C@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCOCC2)cc1 ZINC000111573976 488530479 /nfs/dbraw/zinc/53/04/79/488530479.db2.gz WQENLGXIWSHRMX-IBGZPJMESA-N 2 2 360.502 0.732 20 0 FCADLP NC(=O)[C@@H]1CSCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000271618240 488531896 /nfs/dbraw/zinc/53/18/96/488531896.db2.gz WOSIRJQGGJEUPH-AWEZNQCLSA-N 2 2 363.487 0.023 20 0 FCADLP NC(=O)[C@@H]1CSCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000271618240 488531898 /nfs/dbraw/zinc/53/18/98/488531898.db2.gz WOSIRJQGGJEUPH-AWEZNQCLSA-N 2 2 363.487 0.023 20 0 FCADLP O=C(CC[C@H]1CC[NH2+]C1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261918087 488541419 /nfs/dbraw/zinc/54/14/19/488541419.db2.gz XGNKAAKJCYAODY-INIZCTEOSA-N 2 2 359.474 0.626 20 0 FCADLP CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261927019 488541977 /nfs/dbraw/zinc/54/19/77/488541977.db2.gz VUYZXMZWTPWFPV-HZSPNIEDSA-N 2 2 351.451 0.857 20 0 FCADLP CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261927019 488541978 /nfs/dbraw/zinc/54/19/78/488541978.db2.gz VUYZXMZWTPWFPV-HZSPNIEDSA-N 2 2 351.451 0.857 20 0 FCADLP CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261927028 488542303 /nfs/dbraw/zinc/54/23/03/488542303.db2.gz VUYZXMZWTPWFPV-RDBSUJKOSA-N 2 2 351.451 0.857 20 0 FCADLP CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261927028 488542305 /nfs/dbraw/zinc/54/23/05/488542305.db2.gz VUYZXMZWTPWFPV-RDBSUJKOSA-N 2 2 351.451 0.857 20 0 FCADLP C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000271823308 488548671 /nfs/dbraw/zinc/54/86/71/488548671.db2.gz DECXYBFQEIRSRV-UHFFFAOYSA-N 2 2 372.469 0.835 20 0 FCADLP C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000271823308 488548673 /nfs/dbraw/zinc/54/86/73/488548673.db2.gz DECXYBFQEIRSRV-UHFFFAOYSA-N 2 2 372.469 0.835 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000118094138 488553071 /nfs/dbraw/zinc/55/30/71/488553071.db2.gz OXAUUKUQPKSQQR-UHFFFAOYSA-N 2 2 361.490 0.440 20 0 FCADLP C[C@]1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCCC[NH2+]1 ZINC000262241863 488559285 /nfs/dbraw/zinc/55/92/85/488559285.db2.gz OUFKDNFOWSKXIR-LJQANCHMSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]C1 ZINC000120167579 488560147 /nfs/dbraw/zinc/56/01/47/488560147.db2.gz AJXRIUVYTPZZOH-LJQANCHMSA-N 2 2 359.474 0.626 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)CC2)cc(OC)c1 ZINC000262280282 488561360 /nfs/dbraw/zinc/56/13/60/488561360.db2.gz NVLPWKZQBQVICE-KDOFPFPSSA-N 2 2 363.458 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000262350319 488565506 /nfs/dbraw/zinc/56/55/06/488565506.db2.gz IVYXJHPQCYIWIF-KRWDZBQOSA-N 2 2 360.458 0.069 20 0 FCADLP COC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000262374659 488567146 /nfs/dbraw/zinc/56/71/46/488567146.db2.gz MELUGEWGGLIVNY-CQSZACIVSA-N 2 2 368.409 0.399 20 0 FCADLP COCC1(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)CC[NH2+]CC1 ZINC000262401392 488568564 /nfs/dbraw/zinc/56/85/64/488568564.db2.gz RCSJNDUTHMDPIF-UHFFFAOYSA-N 2 2 350.463 0.952 20 0 FCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262489802 488573295 /nfs/dbraw/zinc/57/32/95/488573295.db2.gz WOWWIXRDBXDALJ-UONOGXRCSA-N 2 2 368.503 0.222 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC[NH2+]C)c2)CC1 ZINC000262558982 488577415 /nfs/dbraw/zinc/57/74/15/488577415.db2.gz QGTHHZTXIRRWKY-UHFFFAOYSA-N 2 2 354.476 0.561 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1(C)C ZINC000262754536 488590304 /nfs/dbraw/zinc/59/03/04/488590304.db2.gz ARPIGYDPIWVJCW-OLMNPRSZSA-N 2 2 371.547 0.843 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124441165 488592983 /nfs/dbraw/zinc/59/29/83/488592983.db2.gz JARRDVCHVSQMTC-ZDUSSCGKSA-N 2 2 365.459 0.880 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124441165 488592985 /nfs/dbraw/zinc/59/29/85/488592985.db2.gz JARRDVCHVSQMTC-ZDUSSCGKSA-N 2 2 365.459 0.880 20 0 FCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000124931709 488596490 /nfs/dbraw/zinc/59/64/90/488596490.db2.gz VUIRMPOYDIOPRC-HNNXBMFYSA-N 2 2 352.504 0.940 20 0 FCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000124931709 488596491 /nfs/dbraw/zinc/59/64/91/488596491.db2.gz VUIRMPOYDIOPRC-HNNXBMFYSA-N 2 2 352.504 0.940 20 0 FCADLP C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000125194612 488598842 /nfs/dbraw/zinc/59/88/42/488598842.db2.gz HYIOWORCCIXWHR-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)[NH+]2CCOCC2)c1 ZINC000563060769 491211549 /nfs/dbraw/zinc/21/15/49/491211549.db2.gz BTKQZDYCSHBHNZ-GOSISDBHSA-N 2 2 372.473 0.739 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C3(COC)CC3)CC2)CC1 ZINC000563059174 491211635 /nfs/dbraw/zinc/21/16/35/491211635.db2.gz NTFCQTBHKYAPNF-UHFFFAOYSA-N 2 2 359.536 0.987 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C3(COC)CC3)CC2)CC1 ZINC000563059174 491211639 /nfs/dbraw/zinc/21/16/39/491211639.db2.gz NTFCQTBHKYAPNF-UHFFFAOYSA-N 2 2 359.536 0.987 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000570043029 491211755 /nfs/dbraw/zinc/21/17/55/491211755.db2.gz QDXNCICEQZTFSJ-AWEZNQCLSA-N 2 2 371.445 0.822 20 0 FCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000127162971 488614663 /nfs/dbraw/zinc/61/46/63/488614663.db2.gz XXXSJKYCHWACLH-JKSUJKDBSA-N 2 2 368.503 0.548 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000127471603 488616880 /nfs/dbraw/zinc/61/68/80/488616880.db2.gz GKFAZSFTZWJUDH-UHFFFAOYSA-N 3 2 367.538 0.567 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263856376 488631145 /nfs/dbraw/zinc/63/11/45/488631145.db2.gz ZXZHAFSLCQFPBR-UHFFFAOYSA-N 2 2 355.442 0.734 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130758752 488640226 /nfs/dbraw/zinc/64/02/26/488640226.db2.gz YCRJLGHPKKKJEQ-MRXNPFEDSA-N 2 2 369.473 0.564 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000130746373 488640556 /nfs/dbraw/zinc/64/05/56/488640556.db2.gz FJFKLDAFIHBWGS-MSOLQXFVSA-N 2 2 370.538 0.689 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000130746373 488640558 /nfs/dbraw/zinc/64/05/58/488640558.db2.gz FJFKLDAFIHBWGS-MSOLQXFVSA-N 2 2 370.538 0.689 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000131302373 488644719 /nfs/dbraw/zinc/64/47/19/488644719.db2.gz QUYSPHWLYOUIBW-FQEVSTJZSA-N 2 2 374.529 0.963 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000131302373 488644722 /nfs/dbraw/zinc/64/47/22/488644722.db2.gz QUYSPHWLYOUIBW-FQEVSTJZSA-N 2 2 374.529 0.963 20 0 FCADLP O=C(CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000132085033 488650558 /nfs/dbraw/zinc/65/05/58/488650558.db2.gz CSGCDTOAJLCHLV-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(CC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000132085033 488650559 /nfs/dbraw/zinc/65/05/59/488650559.db2.gz CSGCDTOAJLCHLV-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133109078 488657925 /nfs/dbraw/zinc/65/79/25/488657925.db2.gz JTQWAOZTAHHZSL-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133109078 488657926 /nfs/dbraw/zinc/65/79/26/488657926.db2.gz JTQWAOZTAHHZSL-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000134365090 488667017 /nfs/dbraw/zinc/66/70/17/488667017.db2.gz AZKBFYNYWQCYJQ-MRXNPFEDSA-N 2 2 374.551 0.378 20 0 FCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000134365090 488667018 /nfs/dbraw/zinc/66/70/18/488667018.db2.gz AZKBFYNYWQCYJQ-MRXNPFEDSA-N 2 2 374.551 0.378 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264569272 488686026 /nfs/dbraw/zinc/68/60/26/488686026.db2.gz HFLDDFFLVFSDMO-KRWDZBQOSA-N 2 2 372.473 0.984 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000264569272 488686029 /nfs/dbraw/zinc/68/60/29/488686029.db2.gz HFLDDFFLVFSDMO-KRWDZBQOSA-N 2 2 372.473 0.984 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905263 488686400 /nfs/dbraw/zinc/68/64/00/488686400.db2.gz FNOFQAHXPCKLCD-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905263 488686402 /nfs/dbraw/zinc/68/64/02/488686402.db2.gz FNOFQAHXPCKLCD-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905263 488686403 /nfs/dbraw/zinc/68/64/03/488686403.db2.gz FNOFQAHXPCKLCD-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905263 488686404 /nfs/dbraw/zinc/68/64/04/488686404.db2.gz FNOFQAHXPCKLCD-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274164199 488687482 /nfs/dbraw/zinc/68/74/82/488687482.db2.gz AVZZDJHZWPBHMY-HXUWFJFHSA-N 2 2 371.485 0.722 20 0 FCADLP Cc1ccn2cc(CNC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)[nH+]c2c1 ZINC000264592434 488688042 /nfs/dbraw/zinc/68/80/42/488688042.db2.gz FVRMPVMNBOQSHW-UHFFFAOYSA-N 2 2 372.473 0.995 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000141624359 488688643 /nfs/dbraw/zinc/68/86/43/488688643.db2.gz KTCCFYUTNWUXLY-KRWDZBQOSA-N 2 2 369.469 0.704 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000141624359 488688645 /nfs/dbraw/zinc/68/86/45/488688645.db2.gz KTCCFYUTNWUXLY-KRWDZBQOSA-N 2 2 369.469 0.704 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000274195203 488689842 /nfs/dbraw/zinc/68/98/42/488689842.db2.gz FWNLEYPBLNBDSP-UHFFFAOYSA-N 2 2 362.474 0.193 20 0 FCADLP O=C(N1CCC(c2nnc3n2CC[NH2+]C3)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000563088454 491214099 /nfs/dbraw/zinc/21/40/99/491214099.db2.gz CCTJKQXMULSWHL-HNAYVOBHSA-N 2 2 358.490 0.867 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796229 488712970 /nfs/dbraw/zinc/71/29/70/488712970.db2.gz VLMRUXZKICXYDH-OALUTQOASA-N 2 2 359.518 0.337 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796229 488712971 /nfs/dbraw/zinc/71/29/71/488712971.db2.gz VLMRUXZKICXYDH-OALUTQOASA-N 2 2 359.518 0.337 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000152352306 488716641 /nfs/dbraw/zinc/71/66/41/488716641.db2.gz BTEMUMZNQUFZLB-INIZCTEOSA-N 2 2 368.441 0.646 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000152352306 488716642 /nfs/dbraw/zinc/71/66/42/488716642.db2.gz BTEMUMZNQUFZLB-INIZCTEOSA-N 2 2 368.441 0.646 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842949 488718618 /nfs/dbraw/zinc/71/86/18/488718618.db2.gz LJYGMUWIHYXKNG-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842949 488718619 /nfs/dbraw/zinc/71/86/19/488718619.db2.gz LJYGMUWIHYXKNG-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)cc1 ZINC000563101622 491215372 /nfs/dbraw/zinc/21/53/72/491215372.db2.gz JMNQPDDNBFAOLM-ROUUACIJSA-N 2 2 358.486 0.949 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2)cc1 ZINC000563101622 491215373 /nfs/dbraw/zinc/21/53/73/491215373.db2.gz JMNQPDDNBFAOLM-ROUUACIJSA-N 2 2 358.486 0.949 20 0 FCADLP CC(C)OCC[NH+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274871457 488739174 /nfs/dbraw/zinc/73/91/74/488739174.db2.gz FUHUOYKXOSUZML-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000266899683 488741403 /nfs/dbraw/zinc/74/14/03/488741403.db2.gz YUKYEBLQMWZBSL-GOSISDBHSA-N 2 2 363.458 0.344 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000266899683 488741405 /nfs/dbraw/zinc/74/14/05/488741405.db2.gz YUKYEBLQMWZBSL-GOSISDBHSA-N 2 2 363.458 0.344 20 0 FCADLP CC[NH+]1CCC(NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000155363308 488754819 /nfs/dbraw/zinc/75/48/19/488754819.db2.gz LLEFCDQVSLBJEJ-UHFFFAOYSA-N 2 2 365.522 0.714 20 0 FCADLP O=C(C[NH+]1CCC(Cn2ccnn2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000155601161 488756667 /nfs/dbraw/zinc/75/66/67/488756667.db2.gz WFOUZHAHMYMCSR-UHFFFAOYSA-N 2 2 372.473 0.928 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000155850110 488759351 /nfs/dbraw/zinc/75/93/51/488759351.db2.gz URARRWYBHSRZEO-SJORKVTESA-N 2 2 356.511 0.611 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@@H]21 ZINC000155898598 488760052 /nfs/dbraw/zinc/76/00/52/488760052.db2.gz IBRSGGIFBOWSNZ-ROUUACIJSA-N 2 2 359.474 0.770 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@@H]21 ZINC000155898598 488760053 /nfs/dbraw/zinc/76/00/53/488760053.db2.gz IBRSGGIFBOWSNZ-ROUUACIJSA-N 2 2 359.474 0.770 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)O1 ZINC000275122668 488763550 /nfs/dbraw/zinc/76/35/50/488763550.db2.gz JCKCRKYKEUPNTH-FPCVCCKLSA-N 2 2 374.445 0.337 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)O1 ZINC000275122670 488763707 /nfs/dbraw/zinc/76/37/07/488763707.db2.gz JCKCRKYKEUPNTH-FZKCQIBNSA-N 2 2 374.445 0.337 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000156773282 488766990 /nfs/dbraw/zinc/76/69/90/488766990.db2.gz FGCSLARIKMEEEJ-IAGOWNOFSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000156773282 488766992 /nfs/dbraw/zinc/76/69/92/488766992.db2.gz FGCSLARIKMEEEJ-IAGOWNOFSA-N 2 2 374.489 0.058 20 0 FCADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000157424781 488771591 /nfs/dbraw/zinc/77/15/91/488771591.db2.gz NGDAXLDUFSYELZ-MRXNPFEDSA-N 2 2 361.490 0.871 20 0 FCADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@@H](CO)C3)CC2)nc(C(C)C)[nH+]1 ZINC000157424781 488771592 /nfs/dbraw/zinc/77/15/92/488771592.db2.gz NGDAXLDUFSYELZ-MRXNPFEDSA-N 2 2 361.490 0.871 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)CC1 ZINC000275250174 488776819 /nfs/dbraw/zinc/77/68/19/488776819.db2.gz PCZLKFFZBBYSCB-UHFFFAOYSA-N 2 2 360.458 0.314 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000267320976 488777643 /nfs/dbraw/zinc/77/76/43/488777643.db2.gz GSGRGEKIPOCNBF-UHFFFAOYSA-N 2 2 368.428 0.837 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000570165243 491221660 /nfs/dbraw/zinc/22/16/60/491221660.db2.gz PSPHGDPMHNNDSP-KKSFZXQISA-N 2 2 370.497 0.729 20 0 FCADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000267523350 488793708 /nfs/dbraw/zinc/79/37/08/488793708.db2.gz QLXAOOHFJRKMGU-UHFFFAOYSA-N 2 2 361.490 0.839 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000162216402 488801418 /nfs/dbraw/zinc/80/14/18/488801418.db2.gz HNCYWFMOEUYUSQ-MJGOQNOKSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162216402 488801419 /nfs/dbraw/zinc/80/14/19/488801419.db2.gz HNCYWFMOEUYUSQ-MJGOQNOKSA-N 2 2 361.486 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000162383732 488801970 /nfs/dbraw/zinc/80/19/70/488801970.db2.gz LXHGMKUWTHWKLC-LLVKDONJSA-N 2 2 358.364 0.537 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000162383732 488801972 /nfs/dbraw/zinc/80/19/72/488801972.db2.gz LXHGMKUWTHWKLC-LLVKDONJSA-N 2 2 358.364 0.537 20 0 FCADLP COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162405992 488802498 /nfs/dbraw/zinc/80/24/98/488802498.db2.gz QIPJVZYJLFVRMS-GJZGRUSLSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162405992 488802499 /nfs/dbraw/zinc/80/24/99/488802499.db2.gz QIPJVZYJLFVRMS-GJZGRUSLSA-N 2 2 360.458 0.458 20 0 FCADLP Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162573572 488803354 /nfs/dbraw/zinc/80/33/54/488803354.db2.gz NLTUQDIUAICXDY-OAHLLOKOSA-N 2 2 366.487 0.250 20 0 FCADLP Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162573572 488803356 /nfs/dbraw/zinc/80/33/56/488803356.db2.gz NLTUQDIUAICXDY-OAHLLOKOSA-N 2 2 366.487 0.250 20 0 FCADLP C[NH+](C)[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000162594675 488803437 /nfs/dbraw/zinc/80/34/37/488803437.db2.gz PKOWSURNLXLETF-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCOC1 ZINC000162812946 488805369 /nfs/dbraw/zinc/80/53/69/488805369.db2.gz JSMAGYWLEYBWDF-UONOGXRCSA-N 2 2 373.461 0.027 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000563152182 491222631 /nfs/dbraw/zinc/22/26/31/491222631.db2.gz VQLPDOKQIBXHJO-BRWVUGGUSA-N 2 2 359.474 0.989 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000170366169 488813627 /nfs/dbraw/zinc/81/36/27/488813627.db2.gz WKPZAQVXXXLJOK-UHFFFAOYSA-N 2 2 374.485 0.169 20 0 FCADLP CNC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000170781820 488815995 /nfs/dbraw/zinc/81/59/95/488815995.db2.gz RXLZPDFTXLGWSH-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP CNC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000170781820 488815997 /nfs/dbraw/zinc/81/59/97/488815997.db2.gz RXLZPDFTXLGWSH-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000171006647 488818820 /nfs/dbraw/zinc/81/88/20/488818820.db2.gz DWVIPKRVWIRPTD-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000171006647 488818821 /nfs/dbraw/zinc/81/88/21/488818821.db2.gz DWVIPKRVWIRPTD-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)(O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000171149134 488820346 /nfs/dbraw/zinc/82/03/46/488820346.db2.gz OUFQLYJFWXDDFK-UHFFFAOYSA-N 2 2 364.490 0.312 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000171190506 488820758 /nfs/dbraw/zinc/82/07/58/488820758.db2.gz OYJWIAUIKVQFFO-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H](C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000171243338 488821596 /nfs/dbraw/zinc/82/15/96/488821596.db2.gz TXRGUZRSDMMHCS-HKUYNNGSSA-N 2 2 360.502 0.812 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000171316928 488822132 /nfs/dbraw/zinc/82/21/32/488822132.db2.gz CJRJMFCJLSJSCT-UHFFFAOYSA-N 2 2 357.458 0.879 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171645268 488824918 /nfs/dbraw/zinc/82/49/18/488824918.db2.gz DQBFJZKVLQPBNA-INIZCTEOSA-N 2 2 359.474 0.943 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171645268 488824919 /nfs/dbraw/zinc/82/49/19/488824919.db2.gz DQBFJZKVLQPBNA-INIZCTEOSA-N 2 2 359.474 0.943 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642764 488825110 /nfs/dbraw/zinc/82/51/10/488825110.db2.gz JIJNCJGFXKPKRU-NVXWUHKLSA-N 2 2 359.474 0.895 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171642764 488825111 /nfs/dbraw/zinc/82/51/11/488825111.db2.gz JIJNCJGFXKPKRU-NVXWUHKLSA-N 2 2 359.474 0.895 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000171658052 488825402 /nfs/dbraw/zinc/82/54/02/488825402.db2.gz CPHOKPVDZYMDII-UHFFFAOYSA-N 2 2 357.462 0.552 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037609 488835546 /nfs/dbraw/zinc/83/55/46/488835546.db2.gz NTQFBYQSVDQYEY-CRAIPNDOSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037609 488835547 /nfs/dbraw/zinc/83/55/47/488835547.db2.gz NTQFBYQSVDQYEY-CRAIPNDOSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037609 488835548 /nfs/dbraw/zinc/83/55/48/488835548.db2.gz NTQFBYQSVDQYEY-CRAIPNDOSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037609 488835549 /nfs/dbraw/zinc/83/55/49/488835549.db2.gz NTQFBYQSVDQYEY-CRAIPNDOSA-N 2 2 363.458 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000172847056 488838814 /nfs/dbraw/zinc/83/88/14/488838814.db2.gz HJXVJBJNDQVJSN-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000172847056 488838816 /nfs/dbraw/zinc/83/88/16/488838816.db2.gz HJXVJBJNDQVJSN-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000173529335 488843329 /nfs/dbraw/zinc/84/33/29/488843329.db2.gz VMOCZOKZNXGDBM-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173726206 488844928 /nfs/dbraw/zinc/84/49/28/488844928.db2.gz GHSATRMTPNCPIS-AEFFLSMTSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000173741542 488845025 /nfs/dbraw/zinc/84/50/25/488845025.db2.gz UFIXZNMYXUMQED-KRWDZBQOSA-N 2 2 368.570 0.195 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000173905700 488846272 /nfs/dbraw/zinc/84/62/72/488846272.db2.gz ZDAIFNFBPJHGMY-CABCVRRESA-N 2 2 360.524 0.231 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000173905700 488846273 /nfs/dbraw/zinc/84/62/73/488846273.db2.gz ZDAIFNFBPJHGMY-CABCVRRESA-N 2 2 360.524 0.231 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000174243318 488848099 /nfs/dbraw/zinc/84/80/99/488848099.db2.gz ZNDZFHKMDGPFHJ-DLBZAZTESA-N 2 2 356.511 0.848 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612946 488850239 /nfs/dbraw/zinc/85/02/39/488850239.db2.gz AEPBBCTUTRMOPI-KRWDZBQOSA-N 2 2 350.438 0.395 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612946 488850240 /nfs/dbraw/zinc/85/02/40/488850240.db2.gz AEPBBCTUTRMOPI-KRWDZBQOSA-N 2 2 350.438 0.395 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000174677888 488850731 /nfs/dbraw/zinc/85/07/31/488850731.db2.gz ICSIJTGVVZJTHV-KRWDZBQOSA-N 2 2 360.458 0.653 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000174677888 488850732 /nfs/dbraw/zinc/85/07/32/488850732.db2.gz ICSIJTGVVZJTHV-KRWDZBQOSA-N 2 2 360.458 0.653 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000174785334 488851115 /nfs/dbraw/zinc/85/11/15/488851115.db2.gz RMSYBLRTPDHULK-IRXDYDNUSA-N 2 2 355.527 0.375 20 0 FCADLP Cn1cc(N2CC[NH+](CCC[NH+]3CCN(c4cnn(C)c4)CC3)CC2)cn1 ZINC000174916911 488852190 /nfs/dbraw/zinc/85/21/90/488852190.db2.gz HCYZDQOMSIDKGN-UHFFFAOYSA-N 2 2 372.521 0.488 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175575184 488854444 /nfs/dbraw/zinc/85/44/44/488854444.db2.gz ACOXNOUOGBPFOQ-GOSISDBHSA-N 3 2 369.554 0.668 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000175804183 488855666 /nfs/dbraw/zinc/85/56/66/488855666.db2.gz CJKPJALABQGQBX-HZPDHXFCSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176601344 488858590 /nfs/dbraw/zinc/85/85/90/488858590.db2.gz MKTXAONWSBNYFQ-OIISXLGYSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000178001889 488859883 /nfs/dbraw/zinc/85/98/83/488859883.db2.gz APUSKCXCSFROJJ-FQEVSTJZSA-N 2 2 359.470 0.722 20 0 FCADLP C[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000178001889 488859884 /nfs/dbraw/zinc/85/98/84/488859884.db2.gz APUSKCXCSFROJJ-FQEVSTJZSA-N 2 2 359.470 0.722 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCOC[C@H]2CCOC2)CC1 ZINC000179312004 488861038 /nfs/dbraw/zinc/86/10/38/488861038.db2.gz ZQYOEYRKOMIWER-MRXNPFEDSA-N 2 2 356.511 0.755 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000180942267 488862699 /nfs/dbraw/zinc/86/26/99/488862699.db2.gz SGOQZMMIARGMDD-QGZVFWFLSA-N 2 2 367.538 0.071 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000180942267 488862700 /nfs/dbraw/zinc/86/27/00/488862700.db2.gz SGOQZMMIARGMDD-QGZVFWFLSA-N 2 2 367.538 0.071 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000180942267 488862701 /nfs/dbraw/zinc/86/27/01/488862701.db2.gz SGOQZMMIARGMDD-QGZVFWFLSA-N 2 2 367.538 0.071 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000180942267 488862702 /nfs/dbraw/zinc/86/27/02/488862702.db2.gz SGOQZMMIARGMDD-QGZVFWFLSA-N 2 2 367.538 0.071 20 0 FCADLP CC(C)[C@@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000182281739 488864524 /nfs/dbraw/zinc/86/45/24/488864524.db2.gz DIFPFXWKELBZJM-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)[C@@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000182281739 488864525 /nfs/dbraw/zinc/86/45/25/488864525.db2.gz DIFPFXWKELBZJM-GOSISDBHSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C[N@@H+]1C ZINC000329202007 488980019 /nfs/dbraw/zinc/98/00/19/488980019.db2.gz WUTRQFPJQCHZDL-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C[N@H+]1C ZINC000329202007 488980022 /nfs/dbraw/zinc/98/00/22/488980022.db2.gz WUTRQFPJQCHZDL-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000554796999 491225789 /nfs/dbraw/zinc/22/57/89/491225789.db2.gz UYEBROSDFRINRE-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000554796999 491225791 /nfs/dbraw/zinc/22/57/91/491225791.db2.gz UYEBROSDFRINRE-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccnc3Cl)C2)CC1 ZINC000364755915 488997852 /nfs/dbraw/zinc/99/78/52/488997852.db2.gz NIQUQHQHRLTJPD-LBPRGKRZSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccnc3Cl)C2)CC1 ZINC000364755915 488997855 /nfs/dbraw/zinc/99/78/55/488997855.db2.gz NIQUQHQHRLTJPD-LBPRGKRZSA-N 2 2 365.865 0.958 20 0 FCADLP CN(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364760444 488998361 /nfs/dbraw/zinc/99/83/61/488998361.db2.gz VWNSHANDPMVUDJ-OAHLLOKOSA-N 2 2 373.501 0.976 20 0 FCADLP CN(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364760444 488998362 /nfs/dbraw/zinc/99/83/62/488998362.db2.gz VWNSHANDPMVUDJ-OAHLLOKOSA-N 2 2 373.501 0.976 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000280380898 489003128 /nfs/dbraw/zinc/00/31/28/489003128.db2.gz HQYKDERPOLCVOT-UHFFFAOYSA-N 2 2 373.457 0.503 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000280380898 489003130 /nfs/dbraw/zinc/00/31/30/489003130.db2.gz HQYKDERPOLCVOT-UHFFFAOYSA-N 2 2 373.457 0.503 20 0 FCADLP Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000280387539 489003501 /nfs/dbraw/zinc/00/35/01/489003501.db2.gz NCKWFAKLFCEFDZ-IBGZPJMESA-N 2 2 364.490 0.050 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803170 489017149 /nfs/dbraw/zinc/01/71/49/489017149.db2.gz FLCCFBNPFDVJDK-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803170 489017151 /nfs/dbraw/zinc/01/71/51/489017151.db2.gz FLCCFBNPFDVJDK-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803170 489017154 /nfs/dbraw/zinc/01/71/54/489017154.db2.gz FLCCFBNPFDVJDK-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803170 489017156 /nfs/dbraw/zinc/01/71/56/489017156.db2.gz FLCCFBNPFDVJDK-RBUKOAKNSA-N 2 2 359.518 0.801 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000288832656 489020263 /nfs/dbraw/zinc/02/02/63/489020263.db2.gz VDCKJRXOFBXWKK-OAHLLOKOSA-N 2 2 362.430 0.293 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000280676857 489024126 /nfs/dbraw/zinc/02/41/26/489024126.db2.gz GHPFLMYWBMNYBZ-LJQANCHMSA-N 2 2 360.458 0.655 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000280676857 489024130 /nfs/dbraw/zinc/02/41/30/489024130.db2.gz GHPFLMYWBMNYBZ-LJQANCHMSA-N 2 2 360.458 0.655 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364969983 489024615 /nfs/dbraw/zinc/02/46/15/489024615.db2.gz TXHOTOVEZYCFDP-KRWDZBQOSA-N 2 2 367.538 0.959 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364969983 489024618 /nfs/dbraw/zinc/02/46/18/489024618.db2.gz TXHOTOVEZYCFDP-KRWDZBQOSA-N 2 2 367.538 0.959 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000288954984 489032046 /nfs/dbraw/zinc/03/20/46/489032046.db2.gz PERRHYQKDQWJRU-HUUCEWRRSA-N 2 2 357.458 0.472 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000288954984 489032047 /nfs/dbraw/zinc/03/20/47/489032047.db2.gz PERRHYQKDQWJRU-HUUCEWRRSA-N 2 2 357.458 0.472 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000280870111 489037141 /nfs/dbraw/zinc/03/71/41/489037141.db2.gz ZKCBKCSMFVVXCO-HZPDHXFCSA-N 2 2 360.458 0.861 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000280870111 489037144 /nfs/dbraw/zinc/03/71/44/489037144.db2.gz ZKCBKCSMFVVXCO-HZPDHXFCSA-N 2 2 360.458 0.861 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000289045127 489038031 /nfs/dbraw/zinc/03/80/31/489038031.db2.gz NJUHJRLBYAIWOE-KDOFPFPSSA-N 2 2 372.469 0.892 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000289045127 489038035 /nfs/dbraw/zinc/03/80/35/489038035.db2.gz NJUHJRLBYAIWOE-KDOFPFPSSA-N 2 2 372.469 0.892 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151698 489043681 /nfs/dbraw/zinc/04/36/81/489043681.db2.gz MRNKDDKBGZNWDB-WMZOPIPTSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151698 489043683 /nfs/dbraw/zinc/04/36/83/489043683.db2.gz MRNKDDKBGZNWDB-WMZOPIPTSA-N 2 2 352.523 0.630 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000281242944 489062758 /nfs/dbraw/zinc/06/27/58/489062758.db2.gz UPDPQIQMYQJEHU-HXUWFJFHSA-N 2 2 374.485 0.915 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000281242944 489062759 /nfs/dbraw/zinc/06/27/59/489062759.db2.gz UPDPQIQMYQJEHU-HXUWFJFHSA-N 2 2 374.485 0.915 20 0 FCADLP O=C(CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000365354707 489067110 /nfs/dbraw/zinc/06/71/10/489067110.db2.gz IHJZRRMIAFWOIF-IRXDYDNUSA-N 2 2 371.485 0.721 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N3CCCC3)CC1)CC2 ZINC000563247537 491231350 /nfs/dbraw/zinc/23/13/50/491231350.db2.gz GYKIURGBSXRVRX-NVXWUHKLSA-N 2 2 373.501 0.909 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)CC1 ZINC000365468855 489079081 /nfs/dbraw/zinc/07/90/81/489079081.db2.gz FUDZVDHXCPGJEG-MRXNPFEDSA-N 2 2 365.522 0.319 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)CC1 ZINC000365468855 489079083 /nfs/dbraw/zinc/07/90/83/489079083.db2.gz FUDZVDHXCPGJEG-MRXNPFEDSA-N 2 2 365.522 0.319 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3([NH+]4CCOCC4)CC3)C2)CC1 ZINC000365468855 489079086 /nfs/dbraw/zinc/07/90/86/489079086.db2.gz FUDZVDHXCPGJEG-MRXNPFEDSA-N 3 2 365.522 0.319 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3([NH+]4CCOCC4)CC3)C2)CC1 ZINC000365468855 489079088 /nfs/dbraw/zinc/07/90/88/489079088.db2.gz FUDZVDHXCPGJEG-MRXNPFEDSA-N 3 2 365.522 0.319 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1CCO ZINC000330221860 489081588 /nfs/dbraw/zinc/08/15/88/489081588.db2.gz MAGLFQZIZNXSHA-MRXNPFEDSA-N 2 2 366.531 0.391 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1CCO ZINC000330221860 489081589 /nfs/dbraw/zinc/08/15/89/489081589.db2.gz MAGLFQZIZNXSHA-MRXNPFEDSA-N 2 2 366.531 0.391 20 0 FCADLP CN1CCO[C@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000330276912 489087330 /nfs/dbraw/zinc/08/73/30/489087330.db2.gz NOUINVFSWCBODQ-SJORKVTESA-N 2 2 359.474 0.135 20 0 FCADLP CN1CCO[C@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000330276912 489087331 /nfs/dbraw/zinc/08/73/31/489087331.db2.gz NOUINVFSWCBODQ-SJORKVTESA-N 2 2 359.474 0.135 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000289698034 489087538 /nfs/dbraw/zinc/08/75/38/489087538.db2.gz FHQGVITWKKQACN-LJQANCHMSA-N 2 2 360.502 0.376 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000289698034 489087541 /nfs/dbraw/zinc/08/75/41/489087541.db2.gz FHQGVITWKKQACN-LJQANCHMSA-N 2 2 360.502 0.376 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370208 489094383 /nfs/dbraw/zinc/09/43/83/489094383.db2.gz DTIBUFPCDLDCIB-GDBMZVCRSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370208 489094385 /nfs/dbraw/zinc/09/43/85/489094385.db2.gz DTIBUFPCDLDCIB-GDBMZVCRSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@@H]1OCC[C@]12C[N@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666778 489098364 /nfs/dbraw/zinc/09/83/64/489098364.db2.gz AEIQPMHLTKZRLR-GJYPPUQNSA-N 2 2 361.490 0.997 20 0 FCADLP C[C@@H]1OCC[C@]12C[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666778 489098367 /nfs/dbraw/zinc/09/83/67/489098367.db2.gz AEIQPMHLTKZRLR-GJYPPUQNSA-N 2 2 361.490 0.997 20 0 FCADLP CC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000281695928 489098421 /nfs/dbraw/zinc/09/84/21/489098421.db2.gz GUNCBHMAXJVJOP-UHFFFAOYSA-N 2 2 358.486 0.885 20 0 FCADLP CC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000281695928 489098422 /nfs/dbraw/zinc/09/84/22/489098422.db2.gz GUNCBHMAXJVJOP-UHFFFAOYSA-N 2 2 358.486 0.885 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281693134 489098445 /nfs/dbraw/zinc/09/84/45/489098445.db2.gz VJSZABVHWDRBEY-UHFFFAOYSA-N 2 2 368.503 0.432 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281693134 489098447 /nfs/dbraw/zinc/09/84/47/489098447.db2.gz VJSZABVHWDRBEY-UHFFFAOYSA-N 2 2 368.503 0.432 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCOCCO)CC2)cc1 ZINC000282250303 489148811 /nfs/dbraw/zinc/14/88/11/489148811.db2.gz BZIXGJNLUWPYKK-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCOCCO)CC2)cc1 ZINC000282250303 489148814 /nfs/dbraw/zinc/14/88/14/489148814.db2.gz BZIXGJNLUWPYKK-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCOCCO)CC2)cc1 ZINC000282250303 489148818 /nfs/dbraw/zinc/14/88/18/489148818.db2.gz BZIXGJNLUWPYKK-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCOCCO)CC2)cc1 ZINC000282250303 489148819 /nfs/dbraw/zinc/14/88/19/489148819.db2.gz BZIXGJNLUWPYKK-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290719763 489160643 /nfs/dbraw/zinc/16/06/43/489160643.db2.gz XPZVILHMILHCFJ-INIZCTEOSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262837 489164190 /nfs/dbraw/zinc/16/41/90/489164190.db2.gz NLDQSGZMFQZSTM-IAGOWNOFSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262837 489164193 /nfs/dbraw/zinc/16/41/93/489164193.db2.gz NLDQSGZMFQZSTM-IAGOWNOFSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366262837 489164196 /nfs/dbraw/zinc/16/41/96/489164196.db2.gz NLDQSGZMFQZSTM-IAGOWNOFSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366262837 489164198 /nfs/dbraw/zinc/16/41/98/489164198.db2.gz NLDQSGZMFQZSTM-IAGOWNOFSA-N 2 2 354.495 0.506 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366267554 489164810 /nfs/dbraw/zinc/16/48/10/489164810.db2.gz PVMHVHPDLADAOC-IRXDYDNUSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000331206825 489185476 /nfs/dbraw/zinc/18/54/76/489185476.db2.gz DUTPGBPWWFFSKJ-GJZGRUSLSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000331206825 489185478 /nfs/dbraw/zinc/18/54/78/489185478.db2.gz DUTPGBPWWFFSKJ-GJZGRUSLSA-N 2 2 355.504 0.824 20 0 FCADLP O=C(CC[NH2+][C@H]1CCC(=O)NC12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000282804602 489191527 /nfs/dbraw/zinc/19/15/27/489191527.db2.gz OUDAZUHNUCGQMS-INIZCTEOSA-N 2 2 371.485 0.911 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579427 489197170 /nfs/dbraw/zinc/19/71/70/489197170.db2.gz AICXDKWFFOKGMG-DOTOQJQBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366579427 489197172 /nfs/dbraw/zinc/19/71/72/489197172.db2.gz AICXDKWFFOKGMG-DOTOQJQBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579427 489197174 /nfs/dbraw/zinc/19/71/74/489197174.db2.gz AICXDKWFFOKGMG-DOTOQJQBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366579427 489197176 /nfs/dbraw/zinc/19/71/76/489197176.db2.gz AICXDKWFFOKGMG-DOTOQJQBSA-N 2 2 353.511 0.175 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000331429609 489210066 /nfs/dbraw/zinc/21/00/66/489210066.db2.gz VRHPYTFBRCOIRH-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000331429609 489210068 /nfs/dbraw/zinc/21/00/68/489210068.db2.gz VRHPYTFBRCOIRH-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000331429609 489210071 /nfs/dbraw/zinc/21/00/71/489210071.db2.gz VRHPYTFBRCOIRH-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331429609 489210072 /nfs/dbraw/zinc/21/00/72/489210072.db2.gz VRHPYTFBRCOIRH-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000283164505 489221564 /nfs/dbraw/zinc/22/15/64/489221564.db2.gz GBSYRNGTUAWIEJ-MRXNPFEDSA-N 2 2 361.421 0.948 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[nH+]c1 ZINC000368969860 489223562 /nfs/dbraw/zinc/22/35/62/489223562.db2.gz PPHZCNHFNDMVMQ-IAGOWNOFSA-N 2 2 361.490 1.433 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297686810 489224164 /nfs/dbraw/zinc/22/41/64/489224164.db2.gz AZGQFPCCMQZTFI-INIZCTEOSA-N 2 2 359.474 0.530 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297686810 489224165 /nfs/dbraw/zinc/22/41/65/489224165.db2.gz AZGQFPCCMQZTFI-INIZCTEOSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000332749090 489224801 /nfs/dbraw/zinc/22/48/01/489224801.db2.gz JVNMIGDDIASRIY-ZFWWWQNUSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000332749090 489224804 /nfs/dbraw/zinc/22/48/04/489224804.db2.gz JVNMIGDDIASRIY-ZFWWWQNUSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CC(C)C1 ZINC000563376968 491240471 /nfs/dbraw/zinc/24/04/71/491240471.db2.gz QTTSDKDDACEDGH-MRXNPFEDSA-N 2 2 350.507 0.729 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNC(=O)c3ccco3)C2)CC1 ZINC000369386495 489232143 /nfs/dbraw/zinc/23/21/43/489232143.db2.gz CBMNQKOUCZPMJD-CQSZACIVSA-N 2 2 363.462 0.477 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNC(=O)c3ccco3)C2)CC1 ZINC000369386495 489232144 /nfs/dbraw/zinc/23/21/44/489232144.db2.gz CBMNQKOUCZPMJD-CQSZACIVSA-N 2 2 363.462 0.477 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000283281746 489238392 /nfs/dbraw/zinc/23/83/92/489238392.db2.gz GQKNCVYBBIIZNY-JKSUJKDBSA-N 2 2 365.478 0.253 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000283281746 489238397 /nfs/dbraw/zinc/23/83/97/489238397.db2.gz GQKNCVYBBIIZNY-JKSUJKDBSA-N 2 2 365.478 0.253 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000283287676 489239568 /nfs/dbraw/zinc/23/95/68/489239568.db2.gz HAUBBNGMQDKHKC-UHFFFAOYSA-N 2 2 373.457 0.299 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283291058 489240306 /nfs/dbraw/zinc/24/03/06/489240306.db2.gz OUHXBSPYYUWNJK-GASCZTMLSA-N 2 2 365.478 0.393 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283291058 489240308 /nfs/dbraw/zinc/24/03/08/489240308.db2.gz OUHXBSPYYUWNJK-GASCZTMLSA-N 2 2 365.478 0.393 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000369463515 489241257 /nfs/dbraw/zinc/24/12/57/489241257.db2.gz CBODNZHXACOUKR-UHFFFAOYSA-N 2 2 360.418 0.209 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000369463515 489241259 /nfs/dbraw/zinc/24/12/59/489241259.db2.gz CBODNZHXACOUKR-UHFFFAOYSA-N 2 2 360.418 0.209 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C[C@@H]21 ZINC000332898410 489244135 /nfs/dbraw/zinc/24/41/35/489244135.db2.gz NERFSLYHYJHXFG-LUKYLMHMSA-N 2 2 352.479 0.089 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C[C@@H]21 ZINC000332898410 489244138 /nfs/dbraw/zinc/24/41/38/489244138.db2.gz NERFSLYHYJHXFG-LUKYLMHMSA-N 2 2 352.479 0.089 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@@H](c2ccccc2)C1 ZINC000297823424 489247035 /nfs/dbraw/zinc/24/70/35/489247035.db2.gz LSTKVSIAJJTICI-RTBURBONSA-N 2 2 368.481 0.974 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)[C@@H](c2ccccc2)C1 ZINC000297823424 489247038 /nfs/dbraw/zinc/24/70/38/489247038.db2.gz LSTKVSIAJJTICI-RTBURBONSA-N 2 2 368.481 0.974 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000283462502 489261505 /nfs/dbraw/zinc/26/15/05/489261505.db2.gz NGDDDRQIGFLGQX-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000297934424 489265073 /nfs/dbraw/zinc/26/50/73/489265073.db2.gz CXPKVIMFGGUUNJ-UHFFFAOYSA-N 2 2 359.474 0.950 20 0 FCADLP C[NH+](C)CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000298105565 489291689 /nfs/dbraw/zinc/29/16/89/489291689.db2.gz UALKCSWDIMDTLK-OAHLLOKOSA-N 2 2 364.471 0.454 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000298131234 489295244 /nfs/dbraw/zinc/29/52/44/489295244.db2.gz QDCRUSDZCGOLMW-UHFFFAOYSA-N 2 2 363.462 0.227 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000369951138 489296664 /nfs/dbraw/zinc/29/66/64/489296664.db2.gz LLDQPBUYQBGFTK-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000369951138 489296665 /nfs/dbraw/zinc/29/66/65/489296665.db2.gz LLDQPBUYQBGFTK-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CC(N)=O)C3)C2)CC1 ZINC000369978620 489299546 /nfs/dbraw/zinc/29/95/46/489299546.db2.gz AANIPLQKRPGRFJ-LSDHHAIUSA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CC(N)=O)C3)C2)CC1 ZINC000369978620 489299547 /nfs/dbraw/zinc/29/95/47/489299547.db2.gz AANIPLQKRPGRFJ-LSDHHAIUSA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCNC(=O)C3CCC3)C2)CC1 ZINC000370076747 489313972 /nfs/dbraw/zinc/31/39/72/489313972.db2.gz HXIPJDTVALRSDL-INIZCTEOSA-N 2 2 365.522 0.761 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCNC(=O)C3CCC3)C2)CC1 ZINC000370076747 489313975 /nfs/dbraw/zinc/31/39/75/489313975.db2.gz HXIPJDTVALRSDL-INIZCTEOSA-N 2 2 365.522 0.761 20 0 FCADLP C[N@@H+](CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000285861065 489327523 /nfs/dbraw/zinc/32/75/23/489327523.db2.gz YZLCYHRNZDVVPL-UHFFFAOYSA-N 2 2 371.478 0.541 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209888 489328372 /nfs/dbraw/zinc/32/83/72/489328372.db2.gz LNVNCMHQFBRGDS-MAUKXSAKSA-N 2 2 357.458 0.859 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209888 489328376 /nfs/dbraw/zinc/32/83/76/489328376.db2.gz LNVNCMHQFBRGDS-MAUKXSAKSA-N 2 2 357.458 0.859 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000570550219 491248847 /nfs/dbraw/zinc/24/88/47/491248847.db2.gz OWARHESXRGGBRM-HUUCEWRRSA-N 2 2 354.495 0.189 20 0 FCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298505068 489332508 /nfs/dbraw/zinc/33/25/08/489332508.db2.gz KJFDPGPLWKUVMY-AWEZNQCLSA-N 2 2 361.446 0.981 20 0 FCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298505068 489332509 /nfs/dbraw/zinc/33/25/09/489332509.db2.gz KJFDPGPLWKUVMY-AWEZNQCLSA-N 2 2 361.446 0.981 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2noc(Cn3c[nH+]c4c3CCCC4)n2)CC1 ZINC000350211621 489336237 /nfs/dbraw/zinc/33/62/37/489336237.db2.gz OOZJCJDKZOUYNE-UHFFFAOYSA-N 2 2 358.446 0.900 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000298679441 489352614 /nfs/dbraw/zinc/35/26/14/489352614.db2.gz VFNTXQJFIXBHKU-UHFFFAOYSA-N 2 2 373.501 0.921 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000298679441 489352618 /nfs/dbraw/zinc/35/26/18/489352618.db2.gz VFNTXQJFIXBHKU-UHFFFAOYSA-N 2 2 373.501 0.921 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286152014 489361952 /nfs/dbraw/zinc/36/19/52/489361952.db2.gz VYVWVXOAQQQITL-SJLPKXTDSA-N 2 2 373.501 0.723 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286152014 489361956 /nfs/dbraw/zinc/36/19/56/489361956.db2.gz VYVWVXOAQQQITL-SJLPKXTDSA-N 2 2 373.501 0.723 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000563462658 491250037 /nfs/dbraw/zinc/25/00/37/491250037.db2.gz NYGDKWHXVLFTTE-OAHLLOKOSA-N 2 2 370.457 0.564 20 0 FCADLP COC(=O)COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000563481720 491250336 /nfs/dbraw/zinc/25/03/36/491250336.db2.gz YFTOYXGRULRAAI-LBPRGKRZSA-N 2 2 370.837 0.998 20 0 FCADLP COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000563481720 491250341 /nfs/dbraw/zinc/25/03/41/491250341.db2.gz YFTOYXGRULRAAI-LBPRGKRZSA-N 2 2 370.837 0.998 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000563477882 491250510 /nfs/dbraw/zinc/25/05/10/491250510.db2.gz ROOBREKXMZOVKR-CJNGLKHVSA-N 2 2 360.462 0.589 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370557626 489374246 /nfs/dbraw/zinc/37/42/46/489374246.db2.gz LGQVPPJEXHIQFN-IKGGRYGDSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370560043 489375074 /nfs/dbraw/zinc/37/50/74/489375074.db2.gz WVYJDRZJEYAEDD-KURKYZTESA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370560043 489375078 /nfs/dbraw/zinc/37/50/78/489375078.db2.gz WVYJDRZJEYAEDD-KURKYZTESA-N 2 2 367.538 0.565 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688099 489392559 /nfs/dbraw/zinc/39/25/59/489392559.db2.gz LJDKZSXLFLDAQQ-PMACEKPBSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688099 489392561 /nfs/dbraw/zinc/39/25/61/489392561.db2.gz LJDKZSXLFLDAQQ-PMACEKPBSA-N 2 2 372.513 0.874 20 0 FCADLP CC[C@H](C)NC(=O)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362952056 489407510 /nfs/dbraw/zinc/40/75/10/489407510.db2.gz LTJRUOXNPCGYQJ-GJZGRUSLSA-N 2 2 353.511 0.759 20 0 FCADLP CC[C@H](C)NC(=O)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362952056 489407514 /nfs/dbraw/zinc/40/75/14/489407514.db2.gz LTJRUOXNPCGYQJ-GJZGRUSLSA-N 2 2 353.511 0.759 20 0 FCADLP CN(C(=O)c1ccc(OCC(N)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830003 489408604 /nfs/dbraw/zinc/40/86/04/489408604.db2.gz KNHDPSGGSHDDBI-KRWDZBQOSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)c1ccc(OCC(N)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830003 489408607 /nfs/dbraw/zinc/40/86/07/489408607.db2.gz KNHDPSGGSHDDBI-KRWDZBQOSA-N 2 2 374.485 0.791 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000286609439 489409538 /nfs/dbraw/zinc/40/95/38/489409538.db2.gz XTUYQXNJQXGLJH-LLVKDONJSA-N 2 2 363.384 0.860 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363009543 489411334 /nfs/dbraw/zinc/41/13/34/489411334.db2.gz VKNYGJCCKHQYBF-HNNXBMFYSA-N 2 2 357.462 0.702 20 0 FCADLP CCC(=O)N1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856095 489412894 /nfs/dbraw/zinc/41/28/94/489412894.db2.gz JWLRFTCYSMGSNU-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856095 489412896 /nfs/dbraw/zinc/41/28/96/489412896.db2.gz JWLRFTCYSMGSNU-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000299229468 489421099 /nfs/dbraw/zinc/42/10/99/489421099.db2.gz XTKGOXKWQWHJNC-INIZCTEOSA-N 2 2 373.501 0.919 20 0 FCADLP COCC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]CC1 ZINC000563600924 491257330 /nfs/dbraw/zinc/25/73/30/491257330.db2.gz UAUIAGHNCULRDZ-UHFFFAOYSA-N 2 2 361.490 0.925 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363123840 489426932 /nfs/dbraw/zinc/42/69/32/489426932.db2.gz JRCQTMCCCHIODV-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363123840 489426936 /nfs/dbraw/zinc/42/69/36/489426936.db2.gz JRCQTMCCCHIODV-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000363218788 489439970 /nfs/dbraw/zinc/43/99/70/489439970.db2.gz MAVBUSAIDHVDDT-QGZVFWFLSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000363218788 489439972 /nfs/dbraw/zinc/43/99/72/489439972.db2.gz MAVBUSAIDHVDDT-QGZVFWFLSA-N 2 2 370.457 0.404 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312870 489451048 /nfs/dbraw/zinc/45/10/48/489451048.db2.gz CBAIATIVQDZJKZ-ZIAGYGMSSA-N 2 2 360.462 0.047 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312870 489451049 /nfs/dbraw/zinc/45/10/49/489451049.db2.gz CBAIATIVQDZJKZ-ZIAGYGMSSA-N 2 2 360.462 0.047 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000287109018 489461693 /nfs/dbraw/zinc/46/16/93/489461693.db2.gz JRYCOGXWFTWDII-ARFHVFGLSA-N 2 2 359.474 0.766 20 0 FCADLP Cn1c2ncn(CC[NH+]3CCC([NH+]4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000299630490 489464956 /nfs/dbraw/zinc/46/49/56/489464956.db2.gz NKHNIVYJJYZIQN-UHFFFAOYSA-N 2 2 374.489 0.384 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563580433 491256040 /nfs/dbraw/zinc/25/60/40/491256040.db2.gz DESROVKMXZHSNM-HLLBOEOZSA-N 2 2 354.520 0.730 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000371481616 489485713 /nfs/dbraw/zinc/48/57/13/489485713.db2.gz DIJWEBFURCLLKV-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000371481616 489485714 /nfs/dbraw/zinc/48/57/14/489485714.db2.gz DIJWEBFURCLLKV-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000414320214 489496212 /nfs/dbraw/zinc/49/62/12/489496212.db2.gz BMTNQXDTFRSXPU-UHFFFAOYSA-N 3 2 372.521 0.968 20 0 FCADLP C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000414590883 489506408 /nfs/dbraw/zinc/50/64/08/489506408.db2.gz ARERHJCMDYLVBU-CVEARBPZSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000414590883 489506411 /nfs/dbraw/zinc/50/64/11/489506411.db2.gz ARERHJCMDYLVBU-CVEARBPZSA-N 2 2 368.522 0.090 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000423257605 489507822 /nfs/dbraw/zinc/50/78/22/489507822.db2.gz KHZSTQVUCKXKBO-CVEARBPZSA-N 2 2 374.485 0.721 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423260041 489508733 /nfs/dbraw/zinc/50/87/33/489508733.db2.gz PFZDUACIODIFIS-SJLPKXTDSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423298112 489512455 /nfs/dbraw/zinc/51/24/55/489512455.db2.gz NEUYXDSSPWAMHF-WMZOPIPTSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423298112 489512458 /nfs/dbraw/zinc/51/24/58/489512458.db2.gz NEUYXDSSPWAMHF-WMZOPIPTSA-N 2 2 374.485 0.296 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423295011 489512776 /nfs/dbraw/zinc/51/27/76/489512776.db2.gz DDYKWCBOCIEWRR-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423295011 489512779 /nfs/dbraw/zinc/51/27/79/489512779.db2.gz DDYKWCBOCIEWRR-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000415444470 489521598 /nfs/dbraw/zinc/52/15/98/489521598.db2.gz VBYGHMQDQVRLEG-OAHLLOKOSA-N 2 2 360.458 0.320 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000415540002 489527802 /nfs/dbraw/zinc/52/78/02/489527802.db2.gz NIVCGWYKRLWHTK-GOSISDBHSA-N 2 2 373.501 0.616 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372051450 489540277 /nfs/dbraw/zinc/54/02/77/489540277.db2.gz KHHSKPMCLPOSCY-QGZVFWFLSA-N 2 2 364.494 0.321 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372051450 489540280 /nfs/dbraw/zinc/54/02/80/489540280.db2.gz KHHSKPMCLPOSCY-QGZVFWFLSA-N 2 2 364.494 0.321 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091960 489543980 /nfs/dbraw/zinc/54/39/80/489543980.db2.gz MITUGIOAJUOGKZ-QGZVFWFLSA-N 2 2 373.501 0.876 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091960 489543982 /nfs/dbraw/zinc/54/39/82/489543982.db2.gz MITUGIOAJUOGKZ-QGZVFWFLSA-N 2 2 373.501 0.876 20 0 FCADLP COC[C@@]1(CNC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCC[NH2+]1 ZINC000415712477 489544094 /nfs/dbraw/zinc/54/40/94/489544094.db2.gz UZVQPVGQESATHK-IBGZPJMESA-N 2 2 371.441 0.910 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415747367 489549555 /nfs/dbraw/zinc/54/95/55/489549555.db2.gz OOMOPCAJBFIEHJ-DOTOQJQBSA-N 2 2 372.469 0.525 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C[NH+]1CCCCC1 ZINC000426047557 489553382 /nfs/dbraw/zinc/55/33/82/489553382.db2.gz RKFGFFVRGZLNDS-OAHLLOKOSA-N 2 2 353.511 0.700 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415848800 489558438 /nfs/dbraw/zinc/55/84/38/489558438.db2.gz DRFVYTWGOHFCIK-OAHLLOKOSA-N 2 2 369.425 0.832 20 0 FCADLP CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224652 489561256 /nfs/dbraw/zinc/56/12/56/489561256.db2.gz ZUBPZPMSQTWVPY-CABCVRRESA-N 2 2 367.494 0.685 20 0 FCADLP CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224652 489561259 /nfs/dbraw/zinc/56/12/59/489561259.db2.gz ZUBPZPMSQTWVPY-CABCVRRESA-N 2 2 367.494 0.685 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000415950163 489565415 /nfs/dbraw/zinc/56/54/15/489565415.db2.gz HHJIACAHJSAGEV-INIZCTEOSA-N 2 2 369.429 0.966 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000454256403 489566993 /nfs/dbraw/zinc/56/69/93/489566993.db2.gz CLMNGVNRGSXASP-GASCZTMLSA-N 2 2 353.511 0.711 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000454256403 489566995 /nfs/dbraw/zinc/56/69/95/489566995.db2.gz CLMNGVNRGSXASP-GASCZTMLSA-N 2 2 353.511 0.711 20 0 FCADLP C[NH+](C)[C@@H](CC(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000416157269 489572793 /nfs/dbraw/zinc/57/27/93/489572793.db2.gz IFMJEOFSVSRTIQ-KRWDZBQOSA-N 2 2 362.474 0.244 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668821 491263849 /nfs/dbraw/zinc/26/38/49/491263849.db2.gz YTOPJSGONLBAAK-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668821 491263851 /nfs/dbraw/zinc/26/38/51/491263851.db2.gz YTOPJSGONLBAAK-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000555668923 491264038 /nfs/dbraw/zinc/26/40/38/491264038.db2.gz VLGFOYDAZDDGKH-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000555668923 491264039 /nfs/dbraw/zinc/26/40/39/491264039.db2.gz VLGFOYDAZDDGKH-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427305887 489601986 /nfs/dbraw/zinc/60/19/86/489601986.db2.gz YGHPRODKUREWRZ-SJORKVTESA-N 2 2 368.522 0.452 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCO1 ZINC000563719970 491265827 /nfs/dbraw/zinc/26/58/27/491265827.db2.gz GXSVAPBPVYPKLI-INIZCTEOSA-N 2 2 361.490 0.674 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCO1 ZINC000563719970 491265828 /nfs/dbraw/zinc/26/58/28/491265828.db2.gz GXSVAPBPVYPKLI-INIZCTEOSA-N 2 2 361.490 0.674 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1)N1CCCC1 ZINC000570817209 491266552 /nfs/dbraw/zinc/26/65/52/491266552.db2.gz IKABHWXZHCPSFZ-GVDBMIGSSA-N 2 2 363.506 0.324 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCCC1 ZINC000570821268 491267231 /nfs/dbraw/zinc/26/72/31/491267231.db2.gz XBQGTCISOKZPAC-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCCC1 ZINC000570821268 491267233 /nfs/dbraw/zinc/26/72/33/491267233.db2.gz XBQGTCISOKZPAC-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000570821268 491267235 /nfs/dbraw/zinc/26/72/35/491267235.db2.gz XBQGTCISOKZPAC-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000570821268 491267238 /nfs/dbraw/zinc/26/72/38/491267238.db2.gz XBQGTCISOKZPAC-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000372738297 489632155 /nfs/dbraw/zinc/63/21/55/489632155.db2.gz GFIFKRXMALZVBX-ZWKOTPCHSA-N 2 2 367.538 0.517 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)Nc1ccccc1 ZINC000416930624 489634278 /nfs/dbraw/zinc/63/42/78/489634278.db2.gz JMYJQFKOYUTPHK-VQFNDLOPSA-N 2 2 357.458 0.607 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)cc2C1 ZINC000372776395 489635710 /nfs/dbraw/zinc/63/57/10/489635710.db2.gz ORJNOAFNHSHLSB-UHFFFAOYSA-N 2 2 361.793 0.938 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)cc2C1 ZINC000372776395 489635714 /nfs/dbraw/zinc/63/57/14/489635714.db2.gz ORJNOAFNHSHLSB-UHFFFAOYSA-N 2 2 361.793 0.938 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417169520 489643880 /nfs/dbraw/zinc/64/38/80/489643880.db2.gz BOPHQGKMAXOVMH-ROUUACIJSA-N 2 2 362.474 0.737 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417150204 489644133 /nfs/dbraw/zinc/64/41/33/489644133.db2.gz FBHSJKVBWJOTFE-INIZCTEOSA-N 2 2 363.510 0.613 20 0 FCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000417229659 489645603 /nfs/dbraw/zinc/64/56/03/489645603.db2.gz XYDLJGAGMGRYBX-LBPRGKRZSA-N 2 2 368.235 0.884 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@@H]1CCC[NH2+]1 ZINC000417301060 489647327 /nfs/dbraw/zinc/64/73/27/489647327.db2.gz UWLRUQNPSWOXLR-KRWDZBQOSA-N 2 2 362.474 0.949 20 0 FCADLP C[NH2+]CCN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417321301 489647954 /nfs/dbraw/zinc/64/79/54/489647954.db2.gz SGNAUAQYUXXVJB-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1[NH3+] ZINC000417372241 489650369 /nfs/dbraw/zinc/65/03/69/489650369.db2.gz YGNDNOLEROGHLE-HUUCEWRRSA-N 2 2 360.462 0.109 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](CN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC000457764439 489656542 /nfs/dbraw/zinc/65/65/42/489656542.db2.gz MNXWUSVHDBNGHG-INIZCTEOSA-N 2 2 360.462 0.996 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000417515413 489657188 /nfs/dbraw/zinc/65/71/88/489657188.db2.gz DBRMRCQGUJIAGO-XHSDSOJGSA-N 2 2 369.510 0.125 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417602709 489659703 /nfs/dbraw/zinc/65/97/03/489659703.db2.gz PFARCPJYYZUPFP-HNNXBMFYSA-N 2 2 356.417 0.823 20 0 FCADLP [NH3+]C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000417628575 489660036 /nfs/dbraw/zinc/66/00/36/489660036.db2.gz PKTCRNOZVPVIDG-KRWDZBQOSA-N 2 2 365.522 0.747 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991268 489669683 /nfs/dbraw/zinc/66/96/83/489669683.db2.gz JHMQAMZZWFVBOG-DNVCBOLYSA-N 2 2 359.474 0.577 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991268 489669685 /nfs/dbraw/zinc/66/96/85/489669685.db2.gz JHMQAMZZWFVBOG-DNVCBOLYSA-N 2 2 359.474 0.577 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000373113290 489669831 /nfs/dbraw/zinc/66/98/31/489669831.db2.gz SUZJZYWUKDJUSE-MRXNPFEDSA-N 2 2 359.474 0.680 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000373113290 489669832 /nfs/dbraw/zinc/66/98/32/489669832.db2.gz SUZJZYWUKDJUSE-MRXNPFEDSA-N 2 2 359.474 0.680 20 0 FCADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956972 489673079 /nfs/dbraw/zinc/67/30/79/489673079.db2.gz TZWSUEBNYPQJBS-JKSUJKDBSA-N 2 2 370.881 0.674 20 0 FCADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)N(CC[NH3+])CCO)c2ccc(Cl)cc2)C1 ZINC000417956972 489673083 /nfs/dbraw/zinc/67/30/83/489673083.db2.gz TZWSUEBNYPQJBS-JKSUJKDBSA-N 2 2 370.881 0.674 20 0 FCADLP CCOC1CC(CNC(=O)NCC(F)(F)C[NH3+])([NH+]2CCOCC2)C1 ZINC000418080854 489677754 /nfs/dbraw/zinc/67/77/54/489677754.db2.gz DJDAEXPIWBOWKR-UHFFFAOYSA-N 2 2 350.410 0.150 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418408029 489696608 /nfs/dbraw/zinc/69/66/08/489696608.db2.gz MFMRMAFMUNXBSV-JKSUJKDBSA-N 2 2 353.511 0.700 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418472329 489700816 /nfs/dbraw/zinc/70/08/16/489700816.db2.gz WJOGFDZTFNTMSV-QGZVFWFLSA-N 2 2 356.511 0.633 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458854650 489705174 /nfs/dbraw/zinc/70/51/74/489705174.db2.gz QALLCFAUMWRRHD-QGZVFWFLSA-N 2 2 356.511 0.587 20 0 FCADLP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000563849106 491272598 /nfs/dbraw/zinc/27/25/98/491272598.db2.gz LDVVKEFIBCYIDU-HZPDHXFCSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000563849106 491272600 /nfs/dbraw/zinc/27/26/00/491272600.db2.gz LDVVKEFIBCYIDU-HZPDHXFCSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(NC[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849106 491272602 /nfs/dbraw/zinc/27/26/02/491272602.db2.gz LDVVKEFIBCYIDU-HZPDHXFCSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(NC[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849106 491272604 /nfs/dbraw/zinc/27/26/04/491272604.db2.gz LDVVKEFIBCYIDU-HZPDHXFCSA-N 3 2 371.533 0.816 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000489356855 489707873 /nfs/dbraw/zinc/70/78/73/489707873.db2.gz LDIUMFHVKDXKAK-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000489356855 489707877 /nfs/dbraw/zinc/70/78/77/489707877.db2.gz LDIUMFHVKDXKAK-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000489356855 489707881 /nfs/dbraw/zinc/70/78/81/489707881.db2.gz LDIUMFHVKDXKAK-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000489356855 489707885 /nfs/dbraw/zinc/70/78/85/489707885.db2.gz LDIUMFHVKDXKAK-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000458941456 489709373 /nfs/dbraw/zinc/70/93/73/489709373.db2.gz TVEWRUMAXRAIJD-ZWKOTPCHSA-N 2 2 370.538 0.831 20 0 FCADLP COC[C@@]1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418635080 489713556 /nfs/dbraw/zinc/71/35/56/489713556.db2.gz KDWUGJOPSUHEJI-SFHVURJKSA-N 3 2 355.527 0.422 20 0 FCADLP COC[C@@]1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418635080 489713560 /nfs/dbraw/zinc/71/35/60/489713560.db2.gz KDWUGJOPSUHEJI-SFHVURJKSA-N 3 2 355.527 0.422 20 0 FCADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CCCC1 ZINC000418630277 489713804 /nfs/dbraw/zinc/71/38/04/489713804.db2.gz WZAGXACKNVAEHD-MRXNPFEDSA-N 2 2 351.495 0.454 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000555796892 491273565 /nfs/dbraw/zinc/27/35/65/491273565.db2.gz PGBGZHUFOHQZNX-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000555796892 491273566 /nfs/dbraw/zinc/27/35/66/491273566.db2.gz PGBGZHUFOHQZNX-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1[NH2+]CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000563874781 491273975 /nfs/dbraw/zinc/27/39/75/491273975.db2.gz JRPWWCAJWHEFIQ-HOTGVXAUSA-N 2 2 374.489 0.512 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCCCNC1=O ZINC000430167515 489722116 /nfs/dbraw/zinc/72/21/16/489722116.db2.gz SJKDDZYRWOKPPA-DLBZAZTESA-N 2 2 355.442 0.586 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000459251719 489723788 /nfs/dbraw/zinc/72/37/88/489723788.db2.gz GIOKXBLECOMSQQ-QGZVFWFLSA-N 2 2 365.522 0.668 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000459251719 489723793 /nfs/dbraw/zinc/72/37/93/489723793.db2.gz GIOKXBLECOMSQQ-QGZVFWFLSA-N 2 2 365.522 0.668 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000459251718 489724333 /nfs/dbraw/zinc/72/43/33/489724333.db2.gz GIOKXBLECOMSQQ-KRWDZBQOSA-N 2 2 365.522 0.668 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000459251718 489724338 /nfs/dbraw/zinc/72/43/38/489724338.db2.gz GIOKXBLECOMSQQ-KRWDZBQOSA-N 2 2 365.522 0.668 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000570929481 491274428 /nfs/dbraw/zinc/27/44/28/491274428.db2.gz FIBICAJBJRYAHZ-KRWDZBQOSA-N 2 2 360.458 0.716 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418797531 489729301 /nfs/dbraw/zinc/72/93/01/489729301.db2.gz GBGIFWYMVAJEBD-CQSZACIVSA-N 2 2 370.856 0.977 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000459428876 489731014 /nfs/dbraw/zinc/73/10/14/489731014.db2.gz OSBGXEXSXIOOPX-INIZCTEOSA-N 2 2 364.494 1.069 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000459428876 489731019 /nfs/dbraw/zinc/73/10/19/489731019.db2.gz OSBGXEXSXIOOPX-INIZCTEOSA-N 2 2 364.494 1.069 20 0 FCADLP O=C(NCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000376451241 489735823 /nfs/dbraw/zinc/73/58/23/489735823.db2.gz VOAWZNJLRGJIPN-GJZGRUSLSA-N 2 2 370.457 0.527 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489953138 489737956 /nfs/dbraw/zinc/73/79/56/489737956.db2.gz BWYXLWUROLLSGU-ZWKOTPCHSA-N 2 2 360.502 0.858 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824873 489739820 /nfs/dbraw/zinc/73/98/20/489739820.db2.gz DIMXSSNVGDEFSP-GOSISDBHSA-N 2 2 372.469 0.040 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824873 489739823 /nfs/dbraw/zinc/73/98/23/489739823.db2.gz DIMXSSNVGDEFSP-GOSISDBHSA-N 2 2 372.469 0.040 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418824933 489740190 /nfs/dbraw/zinc/74/01/90/489740190.db2.gz DQUPWGVVNAVRRO-QGZVFWFLSA-N 2 2 374.485 0.214 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418824933 489740196 /nfs/dbraw/zinc/74/01/96/489740196.db2.gz DQUPWGVVNAVRRO-QGZVFWFLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000418829383 489743341 /nfs/dbraw/zinc/74/33/41/489743341.db2.gz IQRRNEJMLLYNIJ-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000418829383 489743348 /nfs/dbraw/zinc/74/33/48/489743348.db2.gz IQRRNEJMLLYNIJ-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418832204 489744243 /nfs/dbraw/zinc/74/42/43/489744243.db2.gz LWUPDKFXFVJMHA-NJAFHUGGSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418832204 489744247 /nfs/dbraw/zinc/74/42/47/489744247.db2.gz LWUPDKFXFVJMHA-NJAFHUGGSA-N 2 2 374.485 0.199 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899276 491275928 /nfs/dbraw/zinc/27/59/28/491275928.db2.gz SEFQWDNJLOJLJQ-OALUTQOASA-N 2 2 370.497 0.712 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899276 491275932 /nfs/dbraw/zinc/27/59/32/491275932.db2.gz SEFQWDNJLOJLJQ-OALUTQOASA-N 2 2 370.497 0.712 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418835529 489747149 /nfs/dbraw/zinc/74/71/49/489747149.db2.gz PWYJLPXFYXVHIV-MSOLQXFVSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418835529 489747152 /nfs/dbraw/zinc/74/71/52/489747152.db2.gz PWYJLPXFYXVHIV-MSOLQXFVSA-N 2 2 374.485 0.119 20 0 FCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C1CC1 ZINC000430593598 489749073 /nfs/dbraw/zinc/74/90/73/489749073.db2.gz PEOQJCHNVLBYBY-OAQYLSRUSA-N 2 2 372.513 0.983 20 0 FCADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430594548 489749199 /nfs/dbraw/zinc/74/91/99/489749199.db2.gz KVGWLBSSPRONHA-HOCLYGCPSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000430589622 489749676 /nfs/dbraw/zinc/74/96/76/489749676.db2.gz FIGWOIFNMUVVOW-AWEZNQCLSA-N 2 2 360.867 0.643 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000418841750 489751578 /nfs/dbraw/zinc/75/15/78/489751578.db2.gz AOSRNSLSPVARCJ-GJZGRUSLSA-N 2 2 352.866 0.912 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000418842175 489752394 /nfs/dbraw/zinc/75/23/94/489752394.db2.gz HKOOPIJCZQZQDW-NSHDSACASA-N 2 2 360.430 0.711 20 0 FCADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430608010 489752677 /nfs/dbraw/zinc/75/26/77/489752677.db2.gz DBFAWCBPKOXMLP-UHFFFAOYSA-N 2 2 369.487 0.223 20 0 FCADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430608010 489752679 /nfs/dbraw/zinc/75/26/79/489752679.db2.gz DBFAWCBPKOXMLP-UHFFFAOYSA-N 2 2 369.487 0.223 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000418845921 489753104 /nfs/dbraw/zinc/75/31/04/489753104.db2.gz PWFMWMOAIIDIJA-UHFFFAOYSA-N 2 2 355.442 0.947 20 0 FCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612885 489753326 /nfs/dbraw/zinc/75/33/26/489753326.db2.gz UOWQEHIIWQVMPH-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612885 489753331 /nfs/dbraw/zinc/75/33/31/489753331.db2.gz UOWQEHIIWQVMPH-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000555855646 491276786 /nfs/dbraw/zinc/27/67/86/491276786.db2.gz AMABLXFWMSQYLC-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000555855646 491276789 /nfs/dbraw/zinc/27/67/89/491276789.db2.gz AMABLXFWMSQYLC-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(NCC[N@H+]1CC=CCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000376567544 489755499 /nfs/dbraw/zinc/75/54/99/489755499.db2.gz XCJAWIDALWMXMT-QGZVFWFLSA-N 2 2 354.520 0.755 20 0 FCADLP O=C(NCC[N@@H+]1CC=CCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000376567544 489755507 /nfs/dbraw/zinc/75/55/07/489755507.db2.gz XCJAWIDALWMXMT-QGZVFWFLSA-N 2 2 354.520 0.755 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)[nH+]c2c1 ZINC000418852093 489756189 /nfs/dbraw/zinc/75/61/89/489756189.db2.gz USRYPATZCNYQRU-OCCSQVGLSA-N 2 2 359.430 0.488 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)[nH+]c2c1 ZINC000418852048 489756348 /nfs/dbraw/zinc/75/63/48/489756348.db2.gz ULDKZEMMPUUSJL-CWRNSKLLSA-N 2 2 355.442 0.845 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000459810733 489756467 /nfs/dbraw/zinc/75/64/67/489756467.db2.gz JHADUCYAPDPUEB-UHFFFAOYSA-N 2 2 350.488 0.556 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)[nH+]c2c1 ZINC000418852092 489756729 /nfs/dbraw/zinc/75/67/29/489756729.db2.gz USRYPATZCNYQRU-JSGCOSHPSA-N 2 2 359.430 0.488 20 0 FCADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621694 489756733 /nfs/dbraw/zinc/75/67/33/489756733.db2.gz DWFAREGGROCHGH-AWEZNQCLSA-N 2 2 351.451 0.844 20 0 FCADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621694 489756737 /nfs/dbraw/zinc/75/67/37/489756737.db2.gz DWFAREGGROCHGH-AWEZNQCLSA-N 2 2 351.451 0.844 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCOCC1 ZINC000555856490 491276950 /nfs/dbraw/zinc/27/69/50/491276950.db2.gz QAJNYZJOSQPIEI-MRXNPFEDSA-N 2 2 356.511 0.258 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430626094 489757925 /nfs/dbraw/zinc/75/79/25/489757925.db2.gz QZXJPHDVODCDPE-NWDGAFQWSA-N 2 2 354.476 0.323 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000459817210 489758370 /nfs/dbraw/zinc/75/83/70/489758370.db2.gz OYTHJMUQKBOZBG-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430632375 489759463 /nfs/dbraw/zinc/75/94/63/489759463.db2.gz XEBSCLODVRETNF-AWEZNQCLSA-N 2 2 352.504 0.884 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430632375 489759466 /nfs/dbraw/zinc/75/94/66/489759466.db2.gz XEBSCLODVRETNF-AWEZNQCLSA-N 2 2 352.504 0.884 20 0 FCADLP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631052 489759496 /nfs/dbraw/zinc/75/94/96/489759496.db2.gz ZRAWUDIOEYIPAF-CVEARBPZSA-N 2 2 369.473 0.867 20 0 FCADLP C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631052 489759498 /nfs/dbraw/zinc/75/94/98/489759498.db2.gz ZRAWUDIOEYIPAF-CVEARBPZSA-N 2 2 369.473 0.867 20 0 FCADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430637732 489760829 /nfs/dbraw/zinc/76/08/29/489760829.db2.gz BQOAEPARDDMCSN-ZDUSSCGKSA-N 2 2 368.428 0.848 20 0 FCADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430637732 489760833 /nfs/dbraw/zinc/76/08/33/489760833.db2.gz BQOAEPARDDMCSN-ZDUSSCGKSA-N 2 2 368.428 0.848 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000459825470 489761146 /nfs/dbraw/zinc/76/11/46/489761146.db2.gz DUOGLGGLDYRPTR-MRXNPFEDSA-N 2 2 359.474 0.529 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000459825470 489761151 /nfs/dbraw/zinc/76/11/51/489761151.db2.gz DUOGLGGLDYRPTR-MRXNPFEDSA-N 2 2 359.474 0.529 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430642744 489761577 /nfs/dbraw/zinc/76/15/77/489761577.db2.gz KTLYTSAAJNXTSM-HNNXBMFYSA-N 2 2 364.515 0.964 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430642744 489761582 /nfs/dbraw/zinc/76/15/82/489761582.db2.gz KTLYTSAAJNXTSM-HNNXBMFYSA-N 2 2 364.515 0.964 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(OC)c1OC ZINC000430647957 489761611 /nfs/dbraw/zinc/76/16/11/489761611.db2.gz QSGQEXBUZWHCLR-CYBMUJFWSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc(OC)c1OC ZINC000430647957 489761617 /nfs/dbraw/zinc/76/16/17/489761617.db2.gz QSGQEXBUZWHCLR-CYBMUJFWSA-N 2 2 351.447 0.999 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000430657791 489763776 /nfs/dbraw/zinc/76/37/76/489763776.db2.gz WSBIDRZEDGCVPW-NSHDSACASA-N 2 2 351.476 0.357 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000430657791 489763778 /nfs/dbraw/zinc/76/37/78/489763778.db2.gz WSBIDRZEDGCVPW-NSHDSACASA-N 2 2 351.476 0.357 20 0 FCADLP CC1(C)C[N@@H+](C2(CNC(=O)CN3CC[NH2+]CC3=O)CCCCC2)CCO1 ZINC000430714378 489767093 /nfs/dbraw/zinc/76/70/93/489767093.db2.gz NURXDIGSYPKGKD-UHFFFAOYSA-N 2 2 366.506 0.348 20 0 FCADLP CC1(C)C[N@H+](C2(CNC(=O)CN3CC[NH2+]CC3=O)CCCCC2)CCO1 ZINC000430714378 489767097 /nfs/dbraw/zinc/76/70/97/489767097.db2.gz NURXDIGSYPKGKD-UHFFFAOYSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]([NH3+])c1ccccc1 ZINC000430728908 489767313 /nfs/dbraw/zinc/76/73/13/489767313.db2.gz DLVNAXOPEBBEBT-MAUKXSAKSA-N 2 2 357.458 1.490 20 0 FCADLP C[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]([NH3+])c1ccccc1 ZINC000430728913 489767685 /nfs/dbraw/zinc/76/76/85/489767685.db2.gz DLVNAXOPEBBEBT-YJBOKZPZSA-N 2 2 357.458 1.490 20 0 FCADLP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430731369 489767713 /nfs/dbraw/zinc/76/77/13/489767713.db2.gz VUURCEIUCWMAPA-SJORKVTESA-N 2 2 350.507 0.955 20 0 FCADLP COCC[C@@]1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000430750394 489768530 /nfs/dbraw/zinc/76/85/30/489768530.db2.gz ZOCYUDDXJHGOAA-IBGZPJMESA-N 2 2 366.506 0.159 20 0 FCADLP COCC[C@@]1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000430750394 489768533 /nfs/dbraw/zinc/76/85/33/489768533.db2.gz ZOCYUDDXJHGOAA-IBGZPJMESA-N 2 2 366.506 0.159 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000418881116 489773001 /nfs/dbraw/zinc/77/30/01/489773001.db2.gz WVCYMZGWNWOGLL-SWLSCSKDSA-N 2 2 352.866 0.927 20 0 FCADLP COCC[C@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000430876616 489774069 /nfs/dbraw/zinc/77/40/69/489774069.db2.gz RWMJCTHJRZGIIE-QGZVFWFLSA-N 2 2 351.451 0.170 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376677712 489774388 /nfs/dbraw/zinc/77/43/88/489774388.db2.gz DFHGHGVOZRBWKE-LSDHHAIUSA-N 2 2 359.474 0.852 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418887236 489776743 /nfs/dbraw/zinc/77/67/43/489776743.db2.gz AYDZHQGDRIUYHN-YOEHRIQHSA-N 2 2 355.442 0.804 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@H]1[NH3+] ZINC000430931000 489778219 /nfs/dbraw/zinc/77/82/19/489778219.db2.gz BXYLKLLKJRLQQG-UONOGXRCSA-N 2 2 350.488 0.702 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@H]1[NH3+] ZINC000430931000 489778224 /nfs/dbraw/zinc/77/82/24/489778224.db2.gz BXYLKLLKJRLQQG-UONOGXRCSA-N 2 2 350.488 0.702 20 0 FCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430940805 489779710 /nfs/dbraw/zinc/77/97/10/489779710.db2.gz RGPUKELXPVHZSM-OAHLLOKOSA-N 2 2 350.507 0.955 20 0 FCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430940805 489779715 /nfs/dbraw/zinc/77/97/15/489779715.db2.gz RGPUKELXPVHZSM-OAHLLOKOSA-N 2 2 350.507 0.955 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)C1 ZINC000430941336 489779735 /nfs/dbraw/zinc/77/97/35/489779735.db2.gz VUHQAACOOVEJPT-ZDUSSCGKSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)C1 ZINC000430941336 489779738 /nfs/dbraw/zinc/77/97/38/489779738.db2.gz VUHQAACOOVEJPT-ZDUSSCGKSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430957346 489782037 /nfs/dbraw/zinc/78/20/37/489782037.db2.gz OLGIABILNQTYJJ-CHWSQXEVSA-N 2 2 368.503 0.584 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000459886514 489782269 /nfs/dbraw/zinc/78/22/69/489782269.db2.gz OFNMXVLJSYDHED-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000459886514 489782272 /nfs/dbraw/zinc/78/22/72/489782272.db2.gz OFNMXVLJSYDHED-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000459896585 489784910 /nfs/dbraw/zinc/78/49/10/489784910.db2.gz NBLSDQVGUBNIAN-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000431029514 489785064 /nfs/dbraw/zinc/78/50/64/489785064.db2.gz DMOAYOMHMVQDJT-INIZCTEOSA-N 2 2 371.547 0.734 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCSCC1)[NH+]1CCN(C)CC1 ZINC000490843780 489785319 /nfs/dbraw/zinc/78/53/19/489785319.db2.gz OZKJRFGAAZOMGM-MRXNPFEDSA-N 2 2 357.568 0.606 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCSCC1)N1CC[NH+](C)CC1 ZINC000490843780 489785324 /nfs/dbraw/zinc/78/53/24/489785324.db2.gz OZKJRFGAAZOMGM-MRXNPFEDSA-N 2 2 357.568 0.606 20 0 FCADLP O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@H]1C[NH2+]CCO1 ZINC000431012136 489785591 /nfs/dbraw/zinc/78/55/91/489785591.db2.gz WBWBRWNECAGDKQ-MRXNPFEDSA-N 2 2 359.430 0.365 20 0 FCADLP O=C(Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)[C@H]1C[NH2+]CCO1 ZINC000431012136 489785595 /nfs/dbraw/zinc/78/55/95/489785595.db2.gz WBWBRWNECAGDKQ-MRXNPFEDSA-N 2 2 359.430 0.365 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987439 489791708 /nfs/dbraw/zinc/79/17/08/489791708.db2.gz LQDMQIUMZFXZDD-PKOBYXMFSA-N 2 2 372.513 0.943 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987439 489791711 /nfs/dbraw/zinc/79/17/11/489791711.db2.gz LQDMQIUMZFXZDD-PKOBYXMFSA-N 2 2 372.513 0.943 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3COCCN3CC(F)F)CC2)CC1 ZINC000376759127 489791979 /nfs/dbraw/zinc/79/19/79/489791979.db2.gz DOJUVLCQTNWWOA-INIZCTEOSA-N 2 2 374.476 0.627 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000459917818 489792245 /nfs/dbraw/zinc/79/22/45/489792245.db2.gz JSCFIHFAMBUNIQ-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000459917818 489792248 /nfs/dbraw/zinc/79/22/48/489792248.db2.gz JSCFIHFAMBUNIQ-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000459920157 489793358 /nfs/dbraw/zinc/79/33/58/489793358.db2.gz MTMBHGKSHYAVGW-UHFFFAOYSA-N 2 2 370.538 0.744 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418933458 489795084 /nfs/dbraw/zinc/79/50/84/489795084.db2.gz ASXKISQULISXCE-OLZOCXBDSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418933458 489795086 /nfs/dbraw/zinc/79/50/86/489795086.db2.gz ASXKISQULISXCE-OLZOCXBDSA-N 2 2 350.488 0.418 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000459923183 489795428 /nfs/dbraw/zinc/79/54/28/489795428.db2.gz QWFZYWPVKHTYHC-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000459925836 489796036 /nfs/dbraw/zinc/79/60/36/489796036.db2.gz UVAUTIFMVCANGW-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]C1 ZINC000418943128 489798755 /nfs/dbraw/zinc/79/87/55/489798755.db2.gz MIWAATRBMIOIRK-KGLIPLIRSA-N 2 2 364.515 0.727 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]C1 ZINC000418943128 489798761 /nfs/dbraw/zinc/79/87/61/489798761.db2.gz MIWAATRBMIOIRK-KGLIPLIRSA-N 2 2 364.515 0.727 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418942839 489798787 /nfs/dbraw/zinc/79/87/87/489798787.db2.gz MATJSXLEUDFZRG-HIFRSBDPSA-N 2 2 364.515 0.856 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418942839 489798792 /nfs/dbraw/zinc/79/87/92/489798792.db2.gz MATJSXLEUDFZRG-HIFRSBDPSA-N 2 2 364.515 0.856 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000459991482 489811041 /nfs/dbraw/zinc/81/10/41/489811041.db2.gz OOOJFZPGFYRCOP-WBVHZDCISA-N 2 2 359.474 0.847 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccsc2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000571024113 491280509 /nfs/dbraw/zinc/28/05/09/491280509.db2.gz URGJINKALMBLFH-KRWDZBQOSA-N 2 2 374.510 0.865 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000491952373 489814841 /nfs/dbraw/zinc/81/48/41/489814841.db2.gz BBECLPGNEGUTHO-DLBZAZTESA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000491952373 489814845 /nfs/dbraw/zinc/81/48/45/489814845.db2.gz BBECLPGNEGUTHO-DLBZAZTESA-N 2 2 368.522 0.327 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460008209 489816324 /nfs/dbraw/zinc/81/63/24/489816324.db2.gz DYYDLTUIVQAFTD-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460008209 489816329 /nfs/dbraw/zinc/81/63/29/489816329.db2.gz DYYDLTUIVQAFTD-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968568 491280835 /nfs/dbraw/zinc/28/08/35/491280835.db2.gz DHNLVJNWLWVEKQ-GDBMZVCRSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968568 491280839 /nfs/dbraw/zinc/28/08/39/491280839.db2.gz DHNLVJNWLWVEKQ-GDBMZVCRSA-N 2 2 373.519 0.527 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000376931476 489820723 /nfs/dbraw/zinc/82/07/23/489820723.db2.gz NGSIOKXQDVUBAV-MRXNPFEDSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000419025131 489822300 /nfs/dbraw/zinc/82/23/00/489822300.db2.gz LWCUUKABBPWCDO-STQMWFEESA-N 2 2 359.405 0.836 20 0 FCADLP CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000460029554 489824001 /nfs/dbraw/zinc/82/40/01/489824001.db2.gz BVRVEWSJGRKLKR-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000460029554 489824004 /nfs/dbraw/zinc/82/40/04/489824004.db2.gz BVRVEWSJGRKLKR-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000460052863 489833285 /nfs/dbraw/zinc/83/32/85/489833285.db2.gz CJYDYSAPJOHZSH-JKSUJKDBSA-N 2 2 359.474 0.823 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432248738 489834366 /nfs/dbraw/zinc/83/43/66/489834366.db2.gz ZDCAUURWBFHVEC-UHFFFAOYSA-N 2 2 363.462 0.882 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000475578414 489836863 /nfs/dbraw/zinc/83/68/63/489836863.db2.gz AYSODOCUNCHCBK-GJZGRUSLSA-N 2 2 350.467 0.820 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000475578414 489836866 /nfs/dbraw/zinc/83/68/66/489836866.db2.gz AYSODOCUNCHCBK-GJZGRUSLSA-N 2 2 350.467 0.820 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)[C@H](C)C[NH2+]1 ZINC000419055280 489837691 /nfs/dbraw/zinc/83/76/91/489837691.db2.gz ATBCOEUORXGZHQ-XJKCOSOUSA-N 2 2 373.432 0.974 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492849143 489837863 /nfs/dbraw/zinc/83/78/63/489837863.db2.gz ADQAIVABHJVYEP-MRXNPFEDSA-N 2 2 350.511 0.933 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492849143 489837865 /nfs/dbraw/zinc/83/78/65/489837865.db2.gz ADQAIVABHJVYEP-MRXNPFEDSA-N 2 2 350.511 0.933 20 0 FCADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000460076221 489843533 /nfs/dbraw/zinc/84/35/33/489843533.db2.gz MTOZIEBVJGXKBL-UHFFFAOYSA-N 2 2 360.502 0.783 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000460076086 489844042 /nfs/dbraw/zinc/84/40/42/489844042.db2.gz CTJBUBIRHZILLB-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000460081627 489847099 /nfs/dbraw/zinc/84/70/99/489847099.db2.gz MAZHNUYMGVHASO-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000460081627 489847104 /nfs/dbraw/zinc/84/71/04/489847104.db2.gz MAZHNUYMGVHASO-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000432541692 489847205 /nfs/dbraw/zinc/84/72/05/489847205.db2.gz KUBHCVIMHTVVJG-UHFFFAOYSA-N 2 2 371.485 0.992 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419085295 489850554 /nfs/dbraw/zinc/85/05/54/489850554.db2.gz VRVSBWFJLCVPIS-CZUORRHYSA-N 2 2 373.432 0.975 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCNC2=O)cc(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000432776351 489854634 /nfs/dbraw/zinc/85/46/34/489854634.db2.gz NGINPHJKUHBKKF-IRXDYDNUSA-N 2 2 360.458 0.336 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCNC2=O)cc(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000432776351 489854635 /nfs/dbraw/zinc/85/46/35/489854635.db2.gz NGINPHJKUHBKKF-IRXDYDNUSA-N 2 2 360.458 0.336 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1c(F)cccc1F ZINC000460262019 489859350 /nfs/dbraw/zinc/85/93/50/489859350.db2.gz LKGYFYGGHUPATE-RHSMWYFYSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1c(F)cccc1F ZINC000460262019 489859354 /nfs/dbraw/zinc/85/93/54/489859354.db2.gz LKGYFYGGHUPATE-RHSMWYFYSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1c(F)cccc1F ZINC000460262020 489859650 /nfs/dbraw/zinc/85/96/50/489859650.db2.gz LKGYFYGGHUPATE-WMLDXEAASA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1c(F)cccc1F ZINC000460262020 489859654 /nfs/dbraw/zinc/85/96/54/489859654.db2.gz LKGYFYGGHUPATE-WMLDXEAASA-N 2 2 356.417 0.933 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493871691 489859791 /nfs/dbraw/zinc/85/97/91/489859791.db2.gz IQWCBAQAHFRLHU-DLBZAZTESA-N 2 2 354.495 0.242 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493871691 489859795 /nfs/dbraw/zinc/85/97/95/489859795.db2.gz IQWCBAQAHFRLHU-DLBZAZTESA-N 2 2 354.495 0.242 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000419114477 489861561 /nfs/dbraw/zinc/86/15/61/489861561.db2.gz HXLMEKOSRCYMOT-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000419117979 489863476 /nfs/dbraw/zinc/86/34/76/489863476.db2.gz MYBDFDBXTVYLRE-LJQANCHMSA-N 2 2 359.474 0.885 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419118575 489863752 /nfs/dbraw/zinc/86/37/52/489863752.db2.gz ODJGWNRSOHPLQJ-HOTGVXAUSA-N 2 2 368.522 0.354 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCC1 ZINC000419119867 489864473 /nfs/dbraw/zinc/86/44/73/489864473.db2.gz PPHONQXTPNEBHR-INIZCTEOSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419121354 489865656 /nfs/dbraw/zinc/86/56/56/489865656.db2.gz DGMXNOZDFSANIM-WBVHZDCISA-N 2 2 369.469 0.704 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000419121627 489866390 /nfs/dbraw/zinc/86/63/90/489866390.db2.gz SCBVKBPQSSWETN-QGZVFWFLSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000433133240 489867705 /nfs/dbraw/zinc/86/77/05/489867705.db2.gz YSSFBZZJEJHLQM-INIZCTEOSA-N 2 2 368.503 0.792 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@H]1[NH3+] ZINC000419124503 489868315 /nfs/dbraw/zinc/86/83/15/489868315.db2.gz XKLOELRVPVUQEU-GOEBONIOSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419123938 489868322 /nfs/dbraw/zinc/86/83/22/489868322.db2.gz HRDXOSVRUXHZIN-UHFFFAOYSA-N 2 2 365.384 0.300 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000433156584 489868864 /nfs/dbraw/zinc/86/88/64/489868864.db2.gz CETZOUWUFHHXLS-JKSUJKDBSA-N 2 2 357.520 0.758 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)c2cc1C ZINC000377224965 489870836 /nfs/dbraw/zinc/87/08/36/489870836.db2.gz PEDIOFNJHAIAOZ-HFTRVMKXSA-N 2 2 358.442 0.603 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)c2cc1C ZINC000377224965 489870838 /nfs/dbraw/zinc/87/08/38/489870838.db2.gz PEDIOFNJHAIAOZ-HFTRVMKXSA-N 2 2 358.442 0.603 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180045 489873046 /nfs/dbraw/zinc/87/30/46/489873046.db2.gz QVDRFZLDJPULBQ-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180045 489873049 /nfs/dbraw/zinc/87/30/49/489873049.db2.gz QVDRFZLDJPULBQ-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000494180045 489873052 /nfs/dbraw/zinc/87/30/52/489873052.db2.gz QVDRFZLDJPULBQ-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000494180045 489873055 /nfs/dbraw/zinc/87/30/55/489873055.db2.gz QVDRFZLDJPULBQ-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)OC[C@@H](CO)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000433338242 489876003 /nfs/dbraw/zinc/87/60/03/489876003.db2.gz VEAJEYQHMDVVML-GOSISDBHSA-N 2 2 370.538 0.972 20 0 FCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000420001082 489877845 /nfs/dbraw/zinc/87/78/45/489877845.db2.gz PFMWWMHWRNKTPV-DOTOQJQBSA-N 2 2 366.506 0.062 20 0 FCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000420001082 489877850 /nfs/dbraw/zinc/87/78/50/489877850.db2.gz PFMWWMHWRNKTPV-DOTOQJQBSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420014 489882135 /nfs/dbraw/zinc/88/21/35/489882135.db2.gz ILQLPKDNXZBLAU-QGZVFWFLSA-N 3 2 369.554 0.813 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420014 489882139 /nfs/dbraw/zinc/88/21/39/489882139.db2.gz ILQLPKDNXZBLAU-QGZVFWFLSA-N 3 2 369.554 0.813 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000420028270 489885948 /nfs/dbraw/zinc/88/59/48/489885948.db2.gz DDGBHMFAUAMACP-BHYGNILZSA-N 2 2 374.485 0.731 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000420028279 489885994 /nfs/dbraw/zinc/88/59/94/489885994.db2.gz DDGBHMFAUAMACP-XIRDDKMYSA-N 2 2 374.485 0.731 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420030645 489887230 /nfs/dbraw/zinc/88/72/30/489887230.db2.gz GPBMBRQSRATMGQ-CFVMTHIKSA-N 2 2 362.430 0.291 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCN1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000461002649 489893371 /nfs/dbraw/zinc/89/33/71/489893371.db2.gz UCBFYLAXBIZZBA-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000476526320 489897312 /nfs/dbraw/zinc/89/73/12/489897312.db2.gz SOSYHAIEKOZBJM-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420063860 489899793 /nfs/dbraw/zinc/89/97/93/489899793.db2.gz NYADRXCDVKIXAO-INIZCTEOSA-N 2 2 360.458 0.193 20 0 FCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377441570 489904343 /nfs/dbraw/zinc/90/43/43/489904343.db2.gz IAEHJIHACHGFMR-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377441570 489904346 /nfs/dbraw/zinc/90/43/46/489904346.db2.gz IAEHJIHACHGFMR-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCCN1CC[NH+](C)CC1)n2C ZINC000476651437 489907080 /nfs/dbraw/zinc/90/70/80/489907080.db2.gz HYIHWTMZWXKHNJ-UHFFFAOYSA-N 2 2 359.478 0.402 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000433996171 489909875 /nfs/dbraw/zinc/90/98/75/489909875.db2.gz YHUUSMVKRXXWJK-SJORKVTESA-N 2 2 356.511 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000433996171 489909876 /nfs/dbraw/zinc/90/98/76/489909876.db2.gz YHUUSMVKRXXWJK-SJORKVTESA-N 2 2 356.511 0.705 20 0 FCADLP NC(=O)C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000377495272 489911740 /nfs/dbraw/zinc/91/17/40/489911740.db2.gz XMPZVOHFHCXURK-MRXNPFEDSA-N 2 2 366.506 0.335 20 0 FCADLP NC(=O)C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000377495272 489911742 /nfs/dbraw/zinc/91/17/42/489911742.db2.gz XMPZVOHFHCXURK-MRXNPFEDSA-N 2 2 366.506 0.335 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000420105074 489913492 /nfs/dbraw/zinc/91/34/92/489913492.db2.gz RYGKVAMAKJVIMR-GASCZTMLSA-N 2 2 374.485 0.474 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000420105074 489913498 /nfs/dbraw/zinc/91/34/98/489913498.db2.gz RYGKVAMAKJVIMR-GASCZTMLSA-N 2 2 374.485 0.474 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420110349 489915411 /nfs/dbraw/zinc/91/54/11/489915411.db2.gz FPVWIJWEOYAFID-CMODXEBXSA-N 2 2 370.497 0.958 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420110273 489915512 /nfs/dbraw/zinc/91/55/12/489915512.db2.gz FGBTZXKTPUFPIQ-SOLBZPMBSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420110273 489915515 /nfs/dbraw/zinc/91/55/15/489915515.db2.gz FGBTZXKTPUFPIQ-SOLBZPMBSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494814841 489915834 /nfs/dbraw/zinc/91/58/34/489915834.db2.gz ZIWMYIXMCKMUPC-ZBFHGGJFSA-N 2 2 358.446 0.175 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000420129353 489922768 /nfs/dbraw/zinc/92/27/68/489922768.db2.gz QMURNCKDWMXABY-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000420129353 489922771 /nfs/dbraw/zinc/92/27/71/489922771.db2.gz QMURNCKDWMXABY-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000420129349 489922950 /nfs/dbraw/zinc/92/29/50/489922950.db2.gz QMURNCKDWMXABY-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000420129349 489922955 /nfs/dbraw/zinc/92/29/55/489922955.db2.gz QMURNCKDWMXABY-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000377575215 489924140 /nfs/dbraw/zinc/92/41/40/489924140.db2.gz MAJKZEXMBGGPFE-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420143396 489928781 /nfs/dbraw/zinc/92/87/81/489928781.db2.gz XHNOMFGZFBSFHB-UHFFFAOYSA-N 2 2 356.470 0.675 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434452778 489929263 /nfs/dbraw/zinc/92/92/63/489929263.db2.gz GVIHXUVOTYPZPH-UHFFFAOYSA-N 2 2 354.495 0.339 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434452778 489929267 /nfs/dbraw/zinc/92/92/67/489929267.db2.gz GVIHXUVOTYPZPH-UHFFFAOYSA-N 2 2 354.495 0.339 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000564084177 491287902 /nfs/dbraw/zinc/28/79/02/491287902.db2.gz ITJJYZNNYBCWKK-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000420145604 489930717 /nfs/dbraw/zinc/93/07/17/489930717.db2.gz PJALHYYUVNGTKW-WMZOPIPTSA-N 2 2 358.486 0.753 20 0 FCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477026494 489932659 /nfs/dbraw/zinc/93/26/59/489932659.db2.gz RQNLDCFXMKCULA-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420154208 489933040 /nfs/dbraw/zinc/93/30/40/489933040.db2.gz DBJKLUGHNRXIKT-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420154208 489933043 /nfs/dbraw/zinc/93/30/43/489933043.db2.gz DBJKLUGHNRXIKT-SOLBZPMBSA-N 2 2 358.486 0.976 20 0 FCADLP COC(=O)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000377718518 489945691 /nfs/dbraw/zinc/94/56/91/489945691.db2.gz OYSDUDGCSUVWCP-ALOPSCKCSA-N 2 2 366.506 0.297 20 0 FCADLP COC(=O)CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000377718518 489945697 /nfs/dbraw/zinc/94/56/97/489945697.db2.gz OYSDUDGCSUVWCP-ALOPSCKCSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH+]1CCC(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000461989520 489948698 /nfs/dbraw/zinc/94/86/98/489948698.db2.gz NNHPEEIWJOXZFX-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420199376 489949614 /nfs/dbraw/zinc/94/96/14/489949614.db2.gz DEFXZQFISUCBCE-LJIGWXMPSA-N 2 2 358.442 0.566 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420218197 489955591 /nfs/dbraw/zinc/95/55/91/489955591.db2.gz WBSJRNGNRUYWNE-YESZJQIVSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420217323 489955727 /nfs/dbraw/zinc/95/57/27/489955727.db2.gz XNAMFIDLZBSFAT-NXHRZFHOSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420217323 489955730 /nfs/dbraw/zinc/95/57/30/489955730.db2.gz XNAMFIDLZBSFAT-NXHRZFHOSA-N 2 2 358.486 0.963 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc(C(=O)OC)c1 ZINC000420279422 489959863 /nfs/dbraw/zinc/95/98/63/489959863.db2.gz XBJWHQGNEBHDPT-UHFFFAOYSA-N 2 2 363.414 0.882 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc(C(=O)OC)c1 ZINC000420279422 489959866 /nfs/dbraw/zinc/95/98/66/489959866.db2.gz XBJWHQGNEBHDPT-UHFFFAOYSA-N 2 2 363.414 0.882 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000477376545 489961540 /nfs/dbraw/zinc/96/15/40/489961540.db2.gz RKPMKSBGQIHXLS-HOTGVXAUSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000477376545 489961541 /nfs/dbraw/zinc/96/15/41/489961541.db2.gz RKPMKSBGQIHXLS-HOTGVXAUSA-N 2 2 356.511 0.448 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(C(=O)OC)c1 ZINC000420318116 489962346 /nfs/dbraw/zinc/96/23/46/489962346.db2.gz PKVJMQDENUTDKR-GOSISDBHSA-N 2 2 363.414 0.869 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(C(=O)OC)c1 ZINC000420318116 489962349 /nfs/dbraw/zinc/96/23/49/489962349.db2.gz PKVJMQDENUTDKR-GOSISDBHSA-N 2 2 363.414 0.869 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1S(N)(=O)=O ZINC000420310772 489962557 /nfs/dbraw/zinc/96/25/57/489962557.db2.gz GUCPOULSALURCA-CQSZACIVSA-N 2 2 354.476 0.784 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1S(N)(=O)=O ZINC000420310772 489962560 /nfs/dbraw/zinc/96/25/60/489962560.db2.gz GUCPOULSALURCA-CQSZACIVSA-N 2 2 354.476 0.784 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462266598 489964466 /nfs/dbraw/zinc/96/44/66/489964466.db2.gz GCNDVEWFBQOOBF-AWEZNQCLSA-N 2 2 352.435 0.036 20 0 FCADLP O=S(=O)(c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1)N1CCCC1 ZINC000420348656 489965433 /nfs/dbraw/zinc/96/54/33/489965433.db2.gz MKELAWSFOQEACW-HNNXBMFYSA-N 2 2 368.503 0.544 20 0 FCADLP O=S(=O)(c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1)N1CCCC1 ZINC000420348656 489965435 /nfs/dbraw/zinc/96/54/35/489965435.db2.gz MKELAWSFOQEACW-HNNXBMFYSA-N 2 2 368.503 0.544 20 0 FCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346717 489965453 /nfs/dbraw/zinc/96/54/53/489965453.db2.gz DJFNHRMGLPCJRG-GJZGRUSLSA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346717 489965455 /nfs/dbraw/zinc/96/54/55/489965455.db2.gz DJFNHRMGLPCJRG-GJZGRUSLSA-N 2 2 367.291 0.955 20 0 FCADLP Nc1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc(Nc2ccc(F)cc2)n1 ZINC000420349979 489966651 /nfs/dbraw/zinc/96/66/51/489966651.db2.gz RBLKSJVNWXSUAK-OAHLLOKOSA-N 2 2 372.452 0.816 20 0 FCADLP Nc1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc(Nc2ccc(F)cc2)n1 ZINC000420349979 489966652 /nfs/dbraw/zinc/96/66/52/489966652.db2.gz RBLKSJVNWXSUAK-OAHLLOKOSA-N 2 2 372.452 0.816 20 0 FCADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000420351981 489966694 /nfs/dbraw/zinc/96/66/94/489966694.db2.gz LLBFLBCREPRVJB-BBRMVZONSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000420351981 489966697 /nfs/dbraw/zinc/96/66/97/489966697.db2.gz LLBFLBCREPRVJB-BBRMVZONSA-N 2 2 351.447 0.619 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420353435 489967163 /nfs/dbraw/zinc/96/71/63/489967163.db2.gz AMCAXEUJQYSZTK-MCYUEQNJSA-N 2 2 354.476 0.637 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000420356558 489967657 /nfs/dbraw/zinc/96/76/57/489967657.db2.gz CTNRNPFHLBXHQD-CZIZLABSSA-N 2 2 354.401 0.996 20 0 FCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420376655 489969824 /nfs/dbraw/zinc/96/98/24/489969824.db2.gz VIXKKXIIEBSKGH-QSJFSLAZSA-N 2 2 362.474 0.929 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391552 489970453 /nfs/dbraw/zinc/97/04/53/489970453.db2.gz OMFSUQAFHIYGJO-SJORKVTESA-N 2 2 351.422 0.775 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391552 489970457 /nfs/dbraw/zinc/97/04/57/489970457.db2.gz OMFSUQAFHIYGJO-SJORKVTESA-N 2 2 351.422 0.775 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420385398 489970561 /nfs/dbraw/zinc/97/05/61/489970561.db2.gz HSNXEBAQZPUBNV-OAHLLOKOSA-N 2 2 357.476 0.365 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420385398 489970564 /nfs/dbraw/zinc/97/05/64/489970564.db2.gz HSNXEBAQZPUBNV-OAHLLOKOSA-N 2 2 357.476 0.365 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396499 489971670 /nfs/dbraw/zinc/97/16/70/489971670.db2.gz FJQYGUPDRVFUOV-DGCLKSJQSA-N 2 2 354.476 0.498 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396499 489971675 /nfs/dbraw/zinc/97/16/75/489971675.db2.gz FJQYGUPDRVFUOV-DGCLKSJQSA-N 2 2 354.476 0.498 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000420392350 489971973 /nfs/dbraw/zinc/97/19/73/489971973.db2.gz PJSDUKOERWEDNN-CGTJXYLNSA-N 3 2 352.523 0.757 20 0 FCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000462397583 489973360 /nfs/dbraw/zinc/97/33/60/489973360.db2.gz VPWNZXJQPPMKDV-SFHVURJKSA-N 2 2 360.414 0.791 20 0 FCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000462397583 489973362 /nfs/dbraw/zinc/97/33/62/489973362.db2.gz VPWNZXJQPPMKDV-SFHVURJKSA-N 2 2 360.414 0.791 20 0 FCADLP CSC1(CNC(=O)N(CCO)CC[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000462501968 489978975 /nfs/dbraw/zinc/97/89/75/489978975.db2.gz FRXTXVKGKWYPBR-UHFFFAOYSA-N 2 2 374.551 0.150 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000377964369 489988159 /nfs/dbraw/zinc/98/81/59/489988159.db2.gz VVYLHFKHSBIDQA-GOSISDBHSA-N 2 2 373.501 0.715 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000377964369 489988162 /nfs/dbraw/zinc/98/81/62/489988162.db2.gz VVYLHFKHSBIDQA-GOSISDBHSA-N 2 2 373.501 0.715 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000556084766 491293256 /nfs/dbraw/zinc/29/32/56/491293256.db2.gz LYQWBIIYJIYVNQ-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000556084766 491293257 /nfs/dbraw/zinc/29/32/57/491293257.db2.gz LYQWBIIYJIYVNQ-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000571148002 491288476 /nfs/dbraw/zinc/28/84/76/491288476.db2.gz IYRARWHRTCKSJR-MRXNPFEDSA-N 2 2 374.489 0.419 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435379651 490000197 /nfs/dbraw/zinc/00/01/97/490000197.db2.gz NBRJTBPSEGDWQB-OAHLLOKOSA-N 2 2 353.488 0.749 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435379651 490000200 /nfs/dbraw/zinc/00/02/00/490000200.db2.gz NBRJTBPSEGDWQB-OAHLLOKOSA-N 2 2 353.488 0.749 20 0 FCADLP Cc1ncsc1C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C[C@@H]1CC[NH2+]C1 ZINC000435441865 490002292 /nfs/dbraw/zinc/00/22/92/490002292.db2.gz IDSLWAQIHPBNDN-CYBMUJFWSA-N 2 2 363.487 0.461 20 0 FCADLP Cc1ncsc1C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C[C@@H]1CC[NH2+]C1 ZINC000435441865 490002295 /nfs/dbraw/zinc/00/22/95/490002295.db2.gz IDSLWAQIHPBNDN-CYBMUJFWSA-N 2 2 363.487 0.461 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000478067476 490003981 /nfs/dbraw/zinc/00/39/81/490003981.db2.gz ZIZPWHZGXPCQBA-OALUTQOASA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000478067476 490003985 /nfs/dbraw/zinc/00/39/85/490003985.db2.gz ZIZPWHZGXPCQBA-OALUTQOASA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000478067476 490003986 /nfs/dbraw/zinc/00/39/86/490003986.db2.gz ZIZPWHZGXPCQBA-OALUTQOASA-N 2 2 358.486 0.394 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478199503 490009512 /nfs/dbraw/zinc/00/95/12/490009512.db2.gz RNQYGJTWQWWLIP-FUHWJXTLSA-N 2 2 370.538 0.831 20 0 FCADLP COc1cc(NC(=O)CC[N@@H+]2CCO[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000478261205 490012329 /nfs/dbraw/zinc/01/23/29/490012329.db2.gz OJJMPSNJTMZZBU-ZDUSSCGKSA-N 2 2 353.419 0.701 20 0 FCADLP COc1cc(NC(=O)CC[N@H+]2CCO[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000478261205 490012332 /nfs/dbraw/zinc/01/23/32/490012332.db2.gz OJJMPSNJTMZZBU-ZDUSSCGKSA-N 2 2 353.419 0.701 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564208401 491294317 /nfs/dbraw/zinc/29/43/17/491294317.db2.gz VWHVEUCUAWEDMW-OAHLLOKOSA-N 2 2 355.446 0.955 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C[NH+]1CCCC1 ZINC000478401802 490017800 /nfs/dbraw/zinc/01/78/00/490017800.db2.gz FTXUKSLRAKIGBD-UHFFFAOYSA-N 2 2 353.511 0.700 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099235 490019259 /nfs/dbraw/zinc/01/92/59/490019259.db2.gz UCZKMQJTPAKZOC-WCQYABFASA-N 2 2 372.457 0.777 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099235 490019260 /nfs/dbraw/zinc/01/92/60/490019260.db2.gz UCZKMQJTPAKZOC-WCQYABFASA-N 2 2 372.457 0.777 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000463486751 490019808 /nfs/dbraw/zinc/01/98/08/490019808.db2.gz KPOQVKUQWOWRTK-HNNXBMFYSA-N 2 2 354.458 0.876 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000420869676 490027440 /nfs/dbraw/zinc/02/74/40/490027440.db2.gz AZIRAWGSWNXCKP-MRXNPFEDSA-N 2 2 355.442 0.732 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000420869676 490027444 /nfs/dbraw/zinc/02/74/44/490027444.db2.gz AZIRAWGSWNXCKP-MRXNPFEDSA-N 2 2 355.442 0.732 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420908468 490030693 /nfs/dbraw/zinc/03/06/93/490030693.db2.gz WPJBZZAYBMCRFE-QGZVFWFLSA-N 2 2 362.474 0.788 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420908468 490030696 /nfs/dbraw/zinc/03/06/96/490030696.db2.gz WPJBZZAYBMCRFE-QGZVFWFLSA-N 2 2 362.474 0.788 20 0 FCADLP CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420903301 490030823 /nfs/dbraw/zinc/03/08/23/490030823.db2.gz NVZFPTDMVVXSDM-UHFFFAOYSA-N 2 2 367.515 0.986 20 0 FCADLP CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420903301 490030827 /nfs/dbraw/zinc/03/08/27/490030827.db2.gz NVZFPTDMVVXSDM-UHFFFAOYSA-N 2 2 367.515 0.986 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000437981894 490030896 /nfs/dbraw/zinc/03/08/96/490030896.db2.gz XNYBHDUOYNNMKB-AABGKKOBSA-N 2 2 370.497 0.488 20 0 FCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000437981894 490030899 /nfs/dbraw/zinc/03/08/99/490030899.db2.gz XNYBHDUOYNNMKB-AABGKKOBSA-N 2 2 370.497 0.488 20 0 FCADLP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437981894 490030903 /nfs/dbraw/zinc/03/09/03/490030903.db2.gz XNYBHDUOYNNMKB-AABGKKOBSA-N 2 2 370.497 0.488 20 0 FCADLP O=C([C@@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437981894 490030905 /nfs/dbraw/zinc/03/09/05/490030905.db2.gz XNYBHDUOYNNMKB-AABGKKOBSA-N 2 2 370.497 0.488 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438316451 490033510 /nfs/dbraw/zinc/03/35/10/490033510.db2.gz WHKNYBKOHFHCIU-INIZCTEOSA-N 2 2 364.494 1.163 20 0 FCADLP C[N@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCC1 ZINC000438329771 490034210 /nfs/dbraw/zinc/03/42/10/490034210.db2.gz WTPRZUTYCVWNNM-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP C[N@@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCC1 ZINC000438329771 490034214 /nfs/dbraw/zinc/03/42/14/490034214.db2.gz WTPRZUTYCVWNNM-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556111847 491295291 /nfs/dbraw/zinc/29/52/91/491295291.db2.gz RVFSYJYOEAQOAI-BBWFWOEESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556111847 491295292 /nfs/dbraw/zinc/29/52/92/491295292.db2.gz RVFSYJYOEAQOAI-BBWFWOEESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)C1 ZINC000478794105 490037759 /nfs/dbraw/zinc/03/77/59/490037759.db2.gz HGYZPKYFMUDJLO-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)C1 ZINC000478794105 490037762 /nfs/dbraw/zinc/03/77/62/490037762.db2.gz HGYZPKYFMUDJLO-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000478798613 490038350 /nfs/dbraw/zinc/03/83/50/490038350.db2.gz HGGREYPTJVUIQC-GJZGRUSLSA-N 2 2 362.478 0.215 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000478798613 490038357 /nfs/dbraw/zinc/03/83/57/490038357.db2.gz HGGREYPTJVUIQC-GJZGRUSLSA-N 2 2 362.478 0.215 20 0 FCADLP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823424 490040777 /nfs/dbraw/zinc/04/07/77/490040777.db2.gz LXSNUHUYVZXBNN-HZPDHXFCSA-N 2 2 361.490 0.802 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823424 490040782 /nfs/dbraw/zinc/04/07/82/490040782.db2.gz LXSNUHUYVZXBNN-HZPDHXFCSA-N 2 2 361.490 0.802 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421200221 490055871 /nfs/dbraw/zinc/05/58/71/490055871.db2.gz LUVRSJFZJUDZFA-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421200221 490055875 /nfs/dbraw/zinc/05/58/75/490055875.db2.gz LUVRSJFZJUDZFA-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)CC2)c1 ZINC000564252599 491296547 /nfs/dbraw/zinc/29/65/47/491296547.db2.gz VSHZPMZXSUBHKL-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](CO)[C@@H](O)C3)CC2)c1 ZINC000564252599 491296550 /nfs/dbraw/zinc/29/65/50/491296550.db2.gz VSHZPMZXSUBHKL-MOPGFXCFSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)on1 ZINC000378429566 490063453 /nfs/dbraw/zinc/06/34/53/490063453.db2.gz MGROLMFGCTWZBX-CQSZACIVSA-N 2 2 352.435 0.469 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(-c2ccccn2)c1N ZINC000556127887 491296719 /nfs/dbraw/zinc/29/67/19/491296719.db2.gz XXIZZFHBTLAYRB-UHFFFAOYSA-N 2 2 371.489 0.948 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(-c2ccccn2)c1N ZINC000556127887 491296720 /nfs/dbraw/zinc/29/67/20/491296720.db2.gz XXIZZFHBTLAYRB-UHFFFAOYSA-N 2 2 371.489 0.948 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000479095747 490065894 /nfs/dbraw/zinc/06/58/94/490065894.db2.gz MZPXRCBKXZTOPF-INIZCTEOSA-N 2 2 355.442 0.562 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000479095747 490065898 /nfs/dbraw/zinc/06/58/98/490065898.db2.gz MZPXRCBKXZTOPF-INIZCTEOSA-N 2 2 355.442 0.562 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCNC(=O)c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000571267983 491296798 /nfs/dbraw/zinc/29/67/98/491296798.db2.gz CYQGEHUKMGXQFZ-HNNXBMFYSA-N 2 2 351.426 0.230 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCNC(=O)c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000571267983 491296799 /nfs/dbraw/zinc/29/67/99/491296799.db2.gz CYQGEHUKMGXQFZ-HNNXBMFYSA-N 2 2 351.426 0.230 20 0 FCADLP O=C(C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000464800842 490069707 /nfs/dbraw/zinc/06/97/07/490069707.db2.gz YCZDYHWFLXKMLF-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000464800842 490069711 /nfs/dbraw/zinc/06/97/11/490069711.db2.gz YCZDYHWFLXKMLF-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000479197439 490073326 /nfs/dbraw/zinc/07/33/26/490073326.db2.gz UTPKQNAFGGTHGM-QAETUUGQSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000571273982 491297358 /nfs/dbraw/zinc/29/73/58/491297358.db2.gz VXKBBMQAGZBAFX-MRXNPFEDSA-N 2 2 364.494 1.382 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000571273982 491297359 /nfs/dbraw/zinc/29/73/59/491297359.db2.gz VXKBBMQAGZBAFX-MRXNPFEDSA-N 2 2 364.494 1.382 20 0 FCADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C(=O)OC)CCC1 ZINC000378529099 490080583 /nfs/dbraw/zinc/08/05/83/490080583.db2.gz MHZHUSGNECQXEK-HOTGVXAUSA-N 2 2 367.490 0.631 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)n1C ZINC000506320241 490080851 /nfs/dbraw/zinc/08/08/51/490080851.db2.gz FVSAYTOCYZLBSH-UHFFFAOYSA-N 2 2 366.510 0.986 20 0 FCADLP COC1(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000564307326 491299103 /nfs/dbraw/zinc/29/91/03/491299103.db2.gz DVVVHRZGYUWFGO-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP COC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000564307326 491299105 /nfs/dbraw/zinc/29/91/05/491299105.db2.gz DVVVHRZGYUWFGO-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000496148214 490104814 /nfs/dbraw/zinc/10/48/14/490104814.db2.gz OFOIDWBNBNMNDE-SJORKVTESA-N 2 2 351.470 0.973 20 0 FCADLP 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490107642 /nfs/dbraw/zinc/10/76/42/490107642.db2.gz JZGIYBPGIJTGIH-UHFFFAOYSA-N 2 2 359.474 0.324 20 0 FCADLP CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000506577790 490107649 /nfs/dbraw/zinc/10/76/49/490107649.db2.gz JZGIYBPGIJTGIH-UHFFFAOYSA-N 2 2 359.474 0.324 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000556169750 491300043 /nfs/dbraw/zinc/30/00/43/491300043.db2.gz BURVAQKGXGUQLS-IRXDYDNUSA-N 2 2 367.538 0.071 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000556169750 491300045 /nfs/dbraw/zinc/30/00/45/491300045.db2.gz BURVAQKGXGUQLS-IRXDYDNUSA-N 2 2 367.538 0.071 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479778859 490124741 /nfs/dbraw/zinc/12/47/41/490124741.db2.gz QVOKREQCPGBXNF-MELADBBJSA-N 2 2 366.487 0.415 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479778859 490124745 /nfs/dbraw/zinc/12/47/45/490124745.db2.gz QVOKREQCPGBXNF-MELADBBJSA-N 2 2 366.487 0.415 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)CC1 ZINC000422023511 490127602 /nfs/dbraw/zinc/12/76/02/490127602.db2.gz PNLZWYZMVLTMAR-IBGZPJMESA-N 3 2 363.550 0.395 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)CC1 ZINC000422023511 490127609 /nfs/dbraw/zinc/12/76/09/490127609.db2.gz PNLZWYZMVLTMAR-IBGZPJMESA-N 3 2 363.550 0.395 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000422023511 490127613 /nfs/dbraw/zinc/12/76/13/490127613.db2.gz PNLZWYZMVLTMAR-IBGZPJMESA-N 3 2 363.550 0.395 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000422023511 490127616 /nfs/dbraw/zinc/12/76/16/490127616.db2.gz PNLZWYZMVLTMAR-IBGZPJMESA-N 3 2 363.550 0.395 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000465568479 490130898 /nfs/dbraw/zinc/13/08/98/490130898.db2.gz 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CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000465923841 490153419 /nfs/dbraw/zinc/15/34/19/490153419.db2.gz RGZYXANUOUKZFC-MRXNPFEDSA-N 2 2 357.568 0.608 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000422103927 490157984 /nfs/dbraw/zinc/15/79/84/490157984.db2.gz HVMQCANAMCQYTC-CABCVRRESA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000422103927 490157991 /nfs/dbraw/zinc/15/79/91/490157991.db2.gz HVMQCANAMCQYTC-CABCVRRESA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000422103930 490158142 /nfs/dbraw/zinc/15/81/42/490158142.db2.gz HVMQCANAMCQYTC-LSDHHAIUSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000422103930 490158147 /nfs/dbraw/zinc/15/81/47/490158147.db2.gz HVMQCANAMCQYTC-LSDHHAIUSA-N 2 2 362.478 0.168 20 0 FCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000466084407 490164226 /nfs/dbraw/zinc/16/42/26/490164226.db2.gz YZYDLGJRJOWXKP-CQSZACIVSA-N 2 2 350.467 0.678 20 0 FCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000466084407 490164235 /nfs/dbraw/zinc/16/42/35/490164235.db2.gz YZYDLGJRJOWXKP-CQSZACIVSA-N 2 2 350.467 0.678 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000520660823 490175397 /nfs/dbraw/zinc/17/53/97/490175397.db2.gz PVOLIORQIHYTFD-INIZCTEOSA-N 2 2 353.511 0.666 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404399521 490181350 /nfs/dbraw/zinc/18/13/50/490181350.db2.gz QGOJXULAHXSPLB-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404399521 490181356 /nfs/dbraw/zinc/18/13/56/490181356.db2.gz QGOJXULAHXSPLB-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000520710513 490182000 /nfs/dbraw/zinc/18/20/00/490182000.db2.gz WLWKWEYGSVCTTI-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000520710513 490182002 /nfs/dbraw/zinc/18/20/02/490182002.db2.gz WLWKWEYGSVCTTI-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794646 490212913 /nfs/dbraw/zinc/21/29/13/490212913.db2.gz XIHQXZTWXMUNIN-CKEIUWERSA-N 2 2 363.506 0.463 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CCCN2CC[NH+](C)CC2)n1C ZINC000497818367 490218258 /nfs/dbraw/zinc/21/82/58/490218258.db2.gz UJUWIJVOVABLPX-UHFFFAOYSA-N 2 2 351.499 0.265 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CCC[NH+]2CCN(C)CC2)n1C ZINC000497818367 490218262 /nfs/dbraw/zinc/21/82/62/490218262.db2.gz UJUWIJVOVABLPX-UHFFFAOYSA-N 2 2 351.499 0.265 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000556313165 491309047 /nfs/dbraw/zinc/30/90/47/491309047.db2.gz ITOQRHLDAKHBIQ-HOCLYGCPSA-N 2 2 373.457 0.816 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000556359770 491311551 /nfs/dbraw/zinc/31/15/51/491311551.db2.gz HFBPHGLRWSWFDT-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000556359770 491311552 /nfs/dbraw/zinc/31/15/52/491311552.db2.gz HFBPHGLRWSWFDT-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557382226 491371340 /nfs/dbraw/zinc/37/13/40/491371340.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 3 2 369.554 0.317 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000547210863 490271261 /nfs/dbraw/zinc/27/12/61/490271261.db2.gz VDHJBALIVGGZDR-OAHLLOKOSA-N 2 2 357.462 0.802 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000547210863 490271264 /nfs/dbraw/zinc/27/12/64/490271264.db2.gz VDHJBALIVGGZDR-OAHLLOKOSA-N 2 2 357.462 0.802 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000533643867 490271530 /nfs/dbraw/zinc/27/15/30/490271530.db2.gz VANLSIBLWCSLDS-LSDHHAIUSA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000533643867 490271533 /nfs/dbraw/zinc/27/15/33/490271533.db2.gz VANLSIBLWCSLDS-LSDHHAIUSA-N 2 2 362.540 0.477 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000557382226 491371341 /nfs/dbraw/zinc/37/13/41/491371341.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 3 2 369.554 0.317 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000557382226 491371342 /nfs/dbraw/zinc/37/13/42/491371342.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 3 2 369.554 0.317 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000547329972 490279341 /nfs/dbraw/zinc/27/93/41/490279341.db2.gz RLHVFECRJIWPJW-CQSZACIVSA-N 2 2 361.508 0.275 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000557382226 491371343 /nfs/dbraw/zinc/37/13/43/491371343.db2.gz WYUZPWARPVSHMY-MRXNPFEDSA-N 3 2 369.554 0.317 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368244 490281972 /nfs/dbraw/zinc/28/19/72/490281972.db2.gz UOBBUFZKKFVLGO-JKSUJKDBSA-N 2 2 359.474 0.718 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368244 490281981 /nfs/dbraw/zinc/28/19/81/490281981.db2.gz UOBBUFZKKFVLGO-JKSUJKDBSA-N 2 2 359.474 0.718 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CC[NH+](Cc2cccs2)CC1 ZINC000447903551 490286397 /nfs/dbraw/zinc/28/63/97/490286397.db2.gz HQCPAAABEAFGMK-HOTGVXAUSA-N 2 2 353.488 0.522 20 0 FCADLP Cc1noc([C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C2CCOCC2)n1 ZINC000498344611 490286856 /nfs/dbraw/zinc/28/68/56/490286856.db2.gz PABAJNVIJYJUSJ-MRXNPFEDSA-N 2 2 351.451 0.599 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000467375999 490288772 /nfs/dbraw/zinc/28/87/72/490288772.db2.gz HNAHBSVIFKSACE-UHFFFAOYSA-N 2 2 372.429 0.528 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000448258442 490322512 /nfs/dbraw/zinc/32/25/12/490322512.db2.gz WLWIROQXHSIZFA-AWEZNQCLSA-N 2 2 353.511 0.698 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000448258442 490322517 /nfs/dbraw/zinc/32/25/17/490322517.db2.gz WLWIROQXHSIZFA-AWEZNQCLSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000467639415 490324257 /nfs/dbraw/zinc/32/42/57/490324257.db2.gz IZXOUWCBMSZXEW-OAGGEKHMSA-N 2 2 359.536 0.827 20 0 FCADLP C[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1([NH+]2CCOCC2)CCCC1 ZINC000467690923 490330632 /nfs/dbraw/zinc/33/06/32/490330632.db2.gz KBTOTKPMUQOXNX-MGNMYUMUSA-N 2 2 363.502 0.951 20 0 FCADLP CN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118140 490343913 /nfs/dbraw/zinc/34/39/13/490343913.db2.gz VBPUROSNSRAPPH-IAGOWNOFSA-N 2 2 371.485 0.673 20 0 FCADLP CN1C(=O)C[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118140 490343917 /nfs/dbraw/zinc/34/39/17/490343917.db2.gz VBPUROSNSRAPPH-IAGOWNOFSA-N 2 2 371.485 0.673 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000422492155 490357070 /nfs/dbraw/zinc/35/70/70/490357070.db2.gz OSLKMYMKFTTZCW-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000422492155 490357073 /nfs/dbraw/zinc/35/70/73/490357073.db2.gz OSLKMYMKFTTZCW-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CN(C)c1[nH]c2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2[nH+]1 ZINC000468214143 490374488 /nfs/dbraw/zinc/37/44/88/490374488.db2.gz FEKYSJPMDHAGLT-LBPRGKRZSA-N 2 2 358.446 0.978 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@H]1c1[nH]cc[nH+]1 ZINC000410993111 490378262 /nfs/dbraw/zinc/37/82/62/490378262.db2.gz YCKJGECHTXIRMV-XHSDSOJGSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C[C@H]1c1[nH]cc[nH+]1 ZINC000410993111 490378269 /nfs/dbraw/zinc/37/82/69/490378269.db2.gz YCKJGECHTXIRMV-XHSDSOJGSA-N 2 2 374.489 0.168 20 0 FCADLP C[C@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)S(C)(=O)=O ZINC000571670876 491322124 /nfs/dbraw/zinc/32/21/24/491322124.db2.gz KKWUXRYWVOWCMO-OAHLLOKOSA-N 2 2 355.508 0.402 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411131373 490391178 /nfs/dbraw/zinc/39/11/78/490391178.db2.gz HKQRUJRCHZCQCW-HNNXBMFYSA-N 2 2 359.430 0.746 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411131373 490391188 /nfs/dbraw/zinc/39/11/88/490391188.db2.gz HKQRUJRCHZCQCW-HNNXBMFYSA-N 2 2 359.430 0.746 20 0 FCADLP CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684335 491323035 /nfs/dbraw/zinc/32/30/35/491323035.db2.gz HREGYJZJUKTXBL-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000571684335 491323036 /nfs/dbraw/zinc/32/30/36/491323036.db2.gz HREGYJZJUKTXBL-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP CSc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000411159921 490396394 /nfs/dbraw/zinc/39/63/94/490396394.db2.gz AHVFBVIETKJDRG-OAHLLOKOSA-N 2 2 367.515 0.854 20 0 FCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000571698863 491323622 /nfs/dbraw/zinc/32/36/22/491323622.db2.gz QWXMMHANZDHFPJ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000571698863 491323626 /nfs/dbraw/zinc/32/36/26/491323626.db2.gz QWXMMHANZDHFPJ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1nnc2n1C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000534718132 490401327 /nfs/dbraw/zinc/40/13/27/490401327.db2.gz QWSQJHJCOWVZNC-HNNXBMFYSA-N 2 2 363.510 0.474 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000499246601 490401578 /nfs/dbraw/zinc/40/15/78/490401578.db2.gz WTGHBWUMLCXQRQ-IBGZPJMESA-N 2 2 370.497 0.946 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000499246601 490401580 /nfs/dbraw/zinc/40/15/80/490401580.db2.gz WTGHBWUMLCXQRQ-IBGZPJMESA-N 2 2 370.497 0.946 20 0 FCADLP CN1CC[N@@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484206 490409054 /nfs/dbraw/zinc/40/90/54/490409054.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484206 490409064 /nfs/dbraw/zinc/40/90/64/490409064.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484206 490409069 /nfs/dbraw/zinc/40/90/69/490409069.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484206 490409076 /nfs/dbraw/zinc/40/90/76/490409076.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](c2ccccc2)C1 ZINC000468484206 490409080 /nfs/dbraw/zinc/40/90/80/490409080.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000468484206 490409086 /nfs/dbraw/zinc/40/90/86/490409086.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000468484206 490409093 /nfs/dbraw/zinc/40/90/93/490409093.db2.gz OQJGTTRVSCXXHI-RTBURBONSA-N 2 2 360.502 0.812 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1C ZINC000449390598 490411611 /nfs/dbraw/zinc/41/16/11/490411611.db2.gz GRJOKOVNVRVBSJ-INIZCTEOSA-N 2 2 352.479 0.999 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1C ZINC000449390598 490411618 /nfs/dbraw/zinc/41/16/18/490411618.db2.gz GRJOKOVNVRVBSJ-INIZCTEOSA-N 2 2 352.479 0.999 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548111990 490422947 /nfs/dbraw/zinc/42/29/47/490422947.db2.gz ULVBDICOXTVAKL-AWEZNQCLSA-N 2 2 373.505 0.790 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548111990 490422953 /nfs/dbraw/zinc/42/29/53/490422953.db2.gz ULVBDICOXTVAKL-AWEZNQCLSA-N 2 2 373.505 0.790 20 0 FCADLP CN(C(=O)Cc1ccoc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000548122840 490424985 /nfs/dbraw/zinc/42/49/85/490424985.db2.gz PUTKUHMOBKKDSV-UHFFFAOYSA-N 2 2 362.474 0.519 20 0 FCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422631164 490434623 /nfs/dbraw/zinc/43/46/23/490434623.db2.gz FCYSPYRGDSHZAF-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422631164 490434629 /nfs/dbraw/zinc/43/46/29/490434629.db2.gz FCYSPYRGDSHZAF-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000548211611 490441092 /nfs/dbraw/zinc/44/10/92/490441092.db2.gz XMLNTQAEPYZEPE-OAHLLOKOSA-N 2 2 350.467 0.631 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000571746942 491326553 /nfs/dbraw/zinc/32/65/53/491326553.db2.gz XYVDEEWDNXVJDM-CQSZACIVSA-N 2 2 350.488 0.508 20 0 FCADLP CCC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000548257566 490451598 /nfs/dbraw/zinc/45/15/98/490451598.db2.gz MUIGJQYMRYFIPS-OAHLLOKOSA-N 2 2 372.473 0.778 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548279289 490456571 /nfs/dbraw/zinc/45/65/71/490456571.db2.gz XALIPUBOPWKTTO-INIZCTEOSA-N 2 2 369.473 0.844 20 0 FCADLP COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000422769201 490475234 /nfs/dbraw/zinc/47/52/34/490475234.db2.gz VEWBQTMQAATOJL-HOCLYGCPSA-N 2 2 371.503 0.468 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000484919630 490479600 /nfs/dbraw/zinc/47/96/00/490479600.db2.gz UUAPTKVTOTUOCW-CHWSQXEVSA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000484919630 490479608 /nfs/dbraw/zinc/47/96/08/490479608.db2.gz UUAPTKVTOTUOCW-CHWSQXEVSA-N 2 2 354.476 0.558 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944254 490480175 /nfs/dbraw/zinc/48/01/75/490480175.db2.gz HCIZRWAKDYWSQH-IAGOWNOFSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944254 490480181 /nfs/dbraw/zinc/48/01/81/490480181.db2.gz HCIZRWAKDYWSQH-IAGOWNOFSA-N 3 2 352.523 0.807 20 0 FCADLP Cc1cccn2cc(CC(=O)NCCCC[NH+]3CCN(CCO)CC3)[nH+]c12 ZINC000535380310 490486441 /nfs/dbraw/zinc/48/64/41/490486441.db2.gz IBXXMNZTBUMDKE-UHFFFAOYSA-N 2 2 373.501 0.692 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)[C@H]2CCCOC2)CC1 ZINC000510111278 490492441 /nfs/dbraw/zinc/49/24/41/490492441.db2.gz BYSNQLYCSVGUJG-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)[C@H]2CCCOC2)CC1 ZINC000510111278 490492444 /nfs/dbraw/zinc/49/24/44/490492444.db2.gz BYSNQLYCSVGUJG-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000548504704 490493521 /nfs/dbraw/zinc/49/35/21/490493521.db2.gz VDEKPBKVOKUVQV-UHFFFAOYSA-N 2 2 362.521 0.898 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422932005 490500627 /nfs/dbraw/zinc/50/06/27/490500627.db2.gz DNKZGNQCGFRDCS-ZBFHGGJFSA-N 2 2 371.503 0.468 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@H+](C)C1 ZINC000413903352 490510848 /nfs/dbraw/zinc/51/08/48/490510848.db2.gz OKJLDKBIFSBYDM-GFCCVEGCSA-N 2 2 374.445 0.211 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@@H+](C)C1 ZINC000413903352 490510856 /nfs/dbraw/zinc/51/08/56/490510856.db2.gz OKJLDKBIFSBYDM-GFCCVEGCSA-N 2 2 374.445 0.211 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000422985091 490511616 /nfs/dbraw/zinc/51/16/16/490511616.db2.gz CAGDAHSCQMQCSG-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985301 490511665 /nfs/dbraw/zinc/51/16/65/490511665.db2.gz DANHINDXLJBWQU-ULQDDVLXSA-N 3 2 360.506 0.999 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413908695 490511849 /nfs/dbraw/zinc/51/18/49/490511849.db2.gz UZWMMUKXRSGDKH-XHSDSOJGSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000413908695 490511854 /nfs/dbraw/zinc/51/18/54/490511854.db2.gz UZWMMUKXRSGDKH-XHSDSOJGSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908695 490511858 /nfs/dbraw/zinc/51/18/58/490511858.db2.gz UZWMMUKXRSGDKH-XHSDSOJGSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908695 490511862 /nfs/dbraw/zinc/51/18/62/490511862.db2.gz UZWMMUKXRSGDKH-XHSDSOJGSA-N 2 2 355.479 0.439 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000423011558 490516982 /nfs/dbraw/zinc/51/69/82/490516982.db2.gz JFWIHQUFZANDGT-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423012269 490517977 /nfs/dbraw/zinc/51/79/77/490517977.db2.gz CRBQMVGOKNATCF-GJZGRUSLSA-N 2 2 362.499 0.460 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000500463002 490521233 /nfs/dbraw/zinc/52/12/33/490521233.db2.gz DEAWKKVQHSFXST-OAHLLOKOSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423019590 490521716 /nfs/dbraw/zinc/52/17/16/490521716.db2.gz WGFWRZCTKFBGMA-KRWDZBQOSA-N 2 2 350.488 0.590 20 0 FCADLP CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474549 490522163 /nfs/dbraw/zinc/52/21/63/490522163.db2.gz SLXZGAPYIFVSQH-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474549 490522169 /nfs/dbraw/zinc/52/21/69/490522169.db2.gz SLXZGAPYIFVSQH-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000500474549 490522173 /nfs/dbraw/zinc/52/21/73/490522173.db2.gz SLXZGAPYIFVSQH-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000500474549 490522177 /nfs/dbraw/zinc/52/21/77/490522177.db2.gz SLXZGAPYIFVSQH-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000423025341 490522396 /nfs/dbraw/zinc/52/23/96/490522396.db2.gz LJETVOOJHSUVJZ-OXFYSEKESA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000423025341 490522403 /nfs/dbraw/zinc/52/24/03/490522403.db2.gz LJETVOOJHSUVJZ-OXFYSEKESA-N 2 2 358.486 0.945 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025388 490523040 /nfs/dbraw/zinc/52/30/40/490523040.db2.gz LRBADIKGYDSGRS-NEWSRXKRSA-N 3 2 362.518 0.632 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423030278 490524400 /nfs/dbraw/zinc/52/44/00/490524400.db2.gz VYDRDCBGVMGTRW-IRXDYDNUSA-N 2 2 374.485 0.418 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423031111 490525055 /nfs/dbraw/zinc/52/50/55/490525055.db2.gz WQADGJSCHZJQLW-FQEVSTJZSA-N 2 2 374.485 0.407 20 0 FCADLP O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423042119 490528388 /nfs/dbraw/zinc/52/83/88/490528388.db2.gz YRRBICRZPMPUCL-KDURUIRLSA-N 2 2 370.497 0.726 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423051575 490530098 /nfs/dbraw/zinc/53/00/98/490530098.db2.gz OPMAANLVJFQWTI-NZSAHSFTSA-N 2 2 361.486 0.813 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423048860 490530317 /nfs/dbraw/zinc/53/03/17/490530317.db2.gz JHGITOJSIFWABZ-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423048860 490530326 /nfs/dbraw/zinc/53/03/26/490530326.db2.gz JHGITOJSIFWABZ-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423062986 490533298 /nfs/dbraw/zinc/53/32/98/490533298.db2.gz VHSVTHXQAUHXHL-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000564891799 491334185 /nfs/dbraw/zinc/33/41/85/491334185.db2.gz HWNKRTCCLBMYKH-QGZVFWFLSA-N 2 2 360.458 0.003 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000571877735 491334346 /nfs/dbraw/zinc/33/43/46/491334346.db2.gz GYCFHZUIZRVMEM-HZPDHXFCSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000571877735 491334348 /nfs/dbraw/zinc/33/43/48/491334348.db2.gz GYCFHZUIZRVMEM-HZPDHXFCSA-N 2 2 374.489 0.540 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000500752297 490548469 /nfs/dbraw/zinc/54/84/69/490548469.db2.gz PBEXEPHZDDKJNT-RDJZCZTQSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000500752297 490548473 /nfs/dbraw/zinc/54/84/73/490548473.db2.gz PBEXEPHZDDKJNT-RDJZCZTQSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000564909080 491335236 /nfs/dbraw/zinc/33/52/36/491335236.db2.gz NPWTWKKBRUETIV-QGZVFWFLSA-N 2 2 355.442 0.806 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)nn1 ZINC000564955840 491340289 /nfs/dbraw/zinc/34/02/89/491340289.db2.gz BCJKYTYFNFCXRQ-IAGOWNOFSA-N 2 2 362.478 0.544 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000548915427 490554273 /nfs/dbraw/zinc/55/42/73/490554273.db2.gz ZGCANYVOTAEPKL-UHFFFAOYSA-N 3 2 366.550 0.975 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)nn1 ZINC000564955840 491340290 /nfs/dbraw/zinc/34/02/90/491340290.db2.gz BCJKYTYFNFCXRQ-IAGOWNOFSA-N 2 2 362.478 0.544 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485814262 490560152 /nfs/dbraw/zinc/56/01/52/490560152.db2.gz GOSAUAVLIAWQLU-SUMWQHHRSA-N 2 2 365.503 0.424 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000536227786 490562930 /nfs/dbraw/zinc/56/29/30/490562930.db2.gz QMAFSJYKPZXJQF-SFHVURJKSA-N 3 2 369.554 0.404 20 0 FCADLP COC(=O)[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H]1C(=O)OC ZINC000501012763 490568627 /nfs/dbraw/zinc/56/86/27/490568627.db2.gz XNCIYNUMIBFEEU-IAGOWNOFSA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H]1C(=O)OC ZINC000501012763 490568633 /nfs/dbraw/zinc/56/86/33/490568633.db2.gz XNCIYNUMIBFEEU-IAGOWNOFSA-N 2 2 369.506 0.829 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000486025607 490585512 /nfs/dbraw/zinc/58/55/12/490585512.db2.gz CMMZBFSSULXTHR-SFHVURJKSA-N 2 2 358.486 0.919 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000486025607 490585514 /nfs/dbraw/zinc/58/55/14/490585514.db2.gz CMMZBFSSULXTHR-SFHVURJKSA-N 2 2 358.486 0.919 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)nn1 ZINC000564955842 491340345 /nfs/dbraw/zinc/34/03/45/491340345.db2.gz BCJKYTYFNFCXRQ-SJORKVTESA-N 2 2 362.478 0.544 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)nn1 ZINC000564955842 491340348 /nfs/dbraw/zinc/34/03/48/491340348.db2.gz BCJKYTYFNFCXRQ-SJORKVTESA-N 2 2 362.478 0.544 20 0 FCADLP C[NH+]1CCC(O)(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000525452969 490607455 /nfs/dbraw/zinc/60/74/55/490607455.db2.gz FKBSJFFPOFVKOK-UHFFFAOYSA-N 2 2 363.462 0.174 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000549871656 490613292 /nfs/dbraw/zinc/61/32/92/490613292.db2.gz NAOJUFXYTGDGET-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2cn3ccccc3[nH+]2)cn1 ZINC000525616448 490615213 /nfs/dbraw/zinc/61/52/13/490615213.db2.gz AURFQVKCFIALMN-UHFFFAOYSA-N 2 2 369.429 0.390 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000536871290 490618509 /nfs/dbraw/zinc/61/85/09/490618509.db2.gz OSPJDQCFOKYWOC-IPYPFGDCSA-N 2 2 368.503 0.994 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000536871290 490618515 /nfs/dbraw/zinc/61/85/15/490618515.db2.gz OSPJDQCFOKYWOC-IPYPFGDCSA-N 2 2 368.503 0.994 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCc3ccco3)CC2)CC1 ZINC000550061561 490622365 /nfs/dbraw/zinc/62/23/65/490622365.db2.gz FLDANQYGYXSHQX-UHFFFAOYSA-N 2 2 362.474 0.613 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426033 490622831 /nfs/dbraw/zinc/62/28/31/490622831.db2.gz DNHVQOYSCZIMAU-JKSUJKDBSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426033 490622836 /nfs/dbraw/zinc/62/28/36/490622836.db2.gz DNHVQOYSCZIMAU-JKSUJKDBSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426033 490622843 /nfs/dbraw/zinc/62/28/43/490622843.db2.gz DNHVQOYSCZIMAU-JKSUJKDBSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426033 490622848 /nfs/dbraw/zinc/62/28/48/490622848.db2.gz DNHVQOYSCZIMAU-JKSUJKDBSA-N 2 2 374.489 0.160 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000501612532 490624328 /nfs/dbraw/zinc/62/43/28/490624328.db2.gz JTILBUICORLVDC-CVEARBPZSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000501612532 490624333 /nfs/dbraw/zinc/62/43/33/490624333.db2.gz JTILBUICORLVDC-CVEARBPZSA-N 2 2 359.474 0.695 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)nc2)CC1 ZINC000571986584 491341151 /nfs/dbraw/zinc/34/11/51/491341151.db2.gz LAIXNYOLZHCMBT-GJZGRUSLSA-N 2 2 365.503 0.063 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486449355 490627679 /nfs/dbraw/zinc/62/76/79/490627679.db2.gz SXRXTKPIBHTVKE-LSDHHAIUSA-N 2 2 362.478 0.260 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486449355 490627684 /nfs/dbraw/zinc/62/76/84/490627684.db2.gz SXRXTKPIBHTVKE-LSDHHAIUSA-N 2 2 362.478 0.260 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454462 490630468 /nfs/dbraw/zinc/63/04/68/490630468.db2.gz YQSPFLAHGQHGHA-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454462 490630475 /nfs/dbraw/zinc/63/04/75/490630475.db2.gz YQSPFLAHGQHGHA-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459295 490632371 /nfs/dbraw/zinc/63/23/71/490632371.db2.gz KSJSXMUGAHMBAY-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459295 490632380 /nfs/dbraw/zinc/63/23/80/490632380.db2.gz KSJSXMUGAHMBAY-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H](C)N(CC[NH+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849448 490646869 /nfs/dbraw/zinc/64/68/69/490646869.db2.gz GRPBMTYXRPAKSZ-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H](C)N(CC[NH+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849448 490646872 /nfs/dbraw/zinc/64/68/72/490646872.db2.gz GRPBMTYXRPAKSZ-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2C[C@@H](C)N(CC[N@@H+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849448 490646875 /nfs/dbraw/zinc/64/68/75/490646875.db2.gz GRPBMTYXRPAKSZ-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2C[C@@H](C)N(CC[N@H+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000501849448 490646878 /nfs/dbraw/zinc/64/68/78/490646878.db2.gz GRPBMTYXRPAKSZ-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000511981316 490647313 /nfs/dbraw/zinc/64/73/13/490647313.db2.gz HUXABIRGNDAIQE-CGZBRXJRSA-N 2 2 364.490 0.053 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277358 490651276 /nfs/dbraw/zinc/65/12/76/490651276.db2.gz LYAUJTLPZNIQFJ-DOTOQJQBSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277358 490651282 /nfs/dbraw/zinc/65/12/82/490651282.db2.gz LYAUJTLPZNIQFJ-DOTOQJQBSA-N 2 2 366.506 0.060 20 0 FCADLP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512041012 490653267 /nfs/dbraw/zinc/65/32/67/490653267.db2.gz OIWZNLVBTYKKGO-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512041012 490653273 /nfs/dbraw/zinc/65/32/73/490653273.db2.gz OIWZNLVBTYKKGO-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512109523 490658453 /nfs/dbraw/zinc/65/84/53/490658453.db2.gz ZXCHAZGQBDHXGR-INIZCTEOSA-N 2 2 372.473 0.508 20 0 FCADLP CC[C@H](C)OCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000502022787 490669464 /nfs/dbraw/zinc/66/94/64/490669464.db2.gz GETKWABRFSXWNH-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000572029637 491344242 /nfs/dbraw/zinc/34/42/42/491344242.db2.gz RVQXGRYXTBXGHQ-SFHVURJKSA-N 2 2 367.515 0.277 20 0 FCADLP CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000572029637 491344243 /nfs/dbraw/zinc/34/42/43/491344243.db2.gz RVQXGRYXTBXGHQ-SFHVURJKSA-N 2 2 367.515 0.277 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000550469712 490672739 /nfs/dbraw/zinc/67/27/39/490672739.db2.gz RNBBKMNLRPEJJA-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000556958247 491345257 /nfs/dbraw/zinc/34/52/57/491345257.db2.gz JIOXNBHIMFOYOM-HNNXBMFYSA-N 2 2 369.491 0.945 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000556958247 491345259 /nfs/dbraw/zinc/34/52/59/491345259.db2.gz JIOXNBHIMFOYOM-HNNXBMFYSA-N 2 2 369.491 0.945 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccn1 ZINC000512523871 490687449 /nfs/dbraw/zinc/68/74/49/490687449.db2.gz OFEBKXTXNUKIQQ-UHFFFAOYSA-N 2 2 373.461 0.072 20 0 FCADLP COc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000572059093 491346034 /nfs/dbraw/zinc/34/60/34/491346034.db2.gz KFXZCQNETFHOFN-WMZOPIPTSA-N 2 2 372.469 0.430 20 0 FCADLP COc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000572059093 491346037 /nfs/dbraw/zinc/34/60/37/491346037.db2.gz KFXZCQNETFHOFN-WMZOPIPTSA-N 2 2 372.469 0.430 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C[C@@H](O)C[NH3+] ZINC000565047293 491347998 /nfs/dbraw/zinc/34/79/98/491347998.db2.gz PCNOAYGWILXRBK-HNNXBMFYSA-N 2 2 374.407 0.605 20 0 FCADLP C[N@H+](CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C[C@@H](O)C[NH3+] ZINC000565047293 491348000 /nfs/dbraw/zinc/34/80/00/491348000.db2.gz PCNOAYGWILXRBK-HNNXBMFYSA-N 2 2 374.407 0.605 20 0 FCADLP C[C@H]1C[NH+](CCOC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000538046181 490706831 /nfs/dbraw/zinc/70/68/31/490706831.db2.gz UEYKGKPSAYZDIP-GJZGRUSLSA-N 2 2 363.524 0.126 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000557014583 491349795 /nfs/dbraw/zinc/34/97/95/491349795.db2.gz IEODBNIXXFBYMR-KBPBESRZSA-N 2 2 350.467 0.071 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000502919417 490730053 /nfs/dbraw/zinc/73/00/53/490730053.db2.gz OVPPASWWLHXBDR-HOTGVXAUSA-N 2 2 364.494 0.736 20 0 FCADLP O=C(CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)Nc1ccccn1 ZINC000538616313 490740537 /nfs/dbraw/zinc/74/05/37/490740537.db2.gz ZEIQMCVVGPLLMF-UHFFFAOYSA-N 2 2 361.490 0.796 20 0 FCADLP O=C(CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)Nc1ccccn1 ZINC000538616313 490740538 /nfs/dbraw/zinc/74/05/38/490740538.db2.gz ZEIQMCVVGPLLMF-UHFFFAOYSA-N 2 2 361.490 0.796 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005276 490740599 /nfs/dbraw/zinc/74/05/99/490740599.db2.gz CMKNXMZIUDWCCZ-QZTJIDSGSA-N 2 2 368.547 0.932 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005276 490740603 /nfs/dbraw/zinc/74/06/03/490740603.db2.gz CMKNXMZIUDWCCZ-QZTJIDSGSA-N 2 2 368.547 0.932 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000503158382 490741670 /nfs/dbraw/zinc/74/16/70/490741670.db2.gz FFGVZPVUEFAUNF-UICACZKSSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000503158382 490741674 /nfs/dbraw/zinc/74/16/74/490741674.db2.gz FFGVZPVUEFAUNF-UICACZKSSA-N 2 2 360.462 0.475 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000538682753 490743604 /nfs/dbraw/zinc/74/36/04/490743604.db2.gz YRKHDFHJYXNVSH-AWEZNQCLSA-N 2 2 373.505 0.790 20 0 FCADLP C[N@H+](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCSC1 ZINC000488156539 490748087 /nfs/dbraw/zinc/74/80/87/490748087.db2.gz JFPNUPFRHWYYNS-CQSZACIVSA-N 2 2 353.492 0.591 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCSC1 ZINC000488156539 490748091 /nfs/dbraw/zinc/74/80/91/490748091.db2.gz JFPNUPFRHWYYNS-CQSZACIVSA-N 2 2 353.492 0.591 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184785 490750170 /nfs/dbraw/zinc/75/01/70/490750170.db2.gz JMECPDQCQAAVLD-QZTJIDSGSA-N 2 2 368.522 0.896 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184785 490750173 /nfs/dbraw/zinc/75/01/73/490750173.db2.gz JMECPDQCQAAVLD-QZTJIDSGSA-N 2 2 368.522 0.896 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC[N@H+](C)C1CC1 ZINC000503530299 490761474 /nfs/dbraw/zinc/76/14/74/490761474.db2.gz DCTYBEDMYBZGEM-UHFFFAOYSA-N 2 2 353.488 0.846 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000503530299 490761475 /nfs/dbraw/zinc/76/14/75/490761475.db2.gz DCTYBEDMYBZGEM-UHFFFAOYSA-N 2 2 353.488 0.846 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488562373 490764370 /nfs/dbraw/zinc/76/43/70/490764370.db2.gz SDUUNZXNMOOQLC-GJZGRUSLSA-N 2 2 362.478 0.440 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488562373 490764372 /nfs/dbraw/zinc/76/43/72/490764372.db2.gz SDUUNZXNMOOQLC-GJZGRUSLSA-N 2 2 362.478 0.440 20 0 FCADLP COC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000514590811 490772334 /nfs/dbraw/zinc/77/23/34/490772334.db2.gz JATQQIYTXGJTBG-LPHOPBHVSA-N 2 2 362.474 0.385 20 0 FCADLP COC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000514590811 490772339 /nfs/dbraw/zinc/77/23/39/490772339.db2.gz JATQQIYTXGJTBG-LPHOPBHVSA-N 2 2 362.474 0.385 20 0 FCADLP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748659 490773966 /nfs/dbraw/zinc/77/39/66/490773966.db2.gz QMDCZDHUOPBPFU-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748659 490773970 /nfs/dbraw/zinc/77/39/70/490773970.db2.gz QMDCZDHUOPBPFU-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2)CC1 ZINC000565142129 491355307 /nfs/dbraw/zinc/35/53/07/491355307.db2.gz UXQNDJQPCYFWPH-IYBDPMFKSA-N 2 2 362.478 1.135 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2)CC1 ZINC000565142129 491355309 /nfs/dbraw/zinc/35/53/09/491355309.db2.gz UXQNDJQPCYFWPH-IYBDPMFKSA-N 2 2 362.478 1.135 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)C[C@H](C)O1 ZINC000514789510 490788662 /nfs/dbraw/zinc/78/86/62/490788662.db2.gz CIFNXQTULOKPAL-RZFLPCETSA-N 2 2 356.507 0.614 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)C[C@H](C)O1 ZINC000514789510 490788664 /nfs/dbraw/zinc/78/86/64/490788664.db2.gz CIFNXQTULOKPAL-RZFLPCETSA-N 2 2 356.507 0.614 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000514854825 490793059 /nfs/dbraw/zinc/79/30/59/490793059.db2.gz UUGVYMRLJBZABB-INIZCTEOSA-N 2 2 374.485 0.537 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000557137528 491356379 /nfs/dbraw/zinc/35/63/79/491356379.db2.gz UKIUACHSWIBFMC-LJQANCHMSA-N 3 2 374.533 0.089 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572226822 491356736 /nfs/dbraw/zinc/35/67/36/491356736.db2.gz DAUDXMFTZLVGJB-IEBWSBKVSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572226822 491356738 /nfs/dbraw/zinc/35/67/38/491356738.db2.gz DAUDXMFTZLVGJB-IEBWSBKVSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@H]1CCC[C@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000540009392 490804872 /nfs/dbraw/zinc/80/48/72/490804872.db2.gz KFUOBULMNOOBCP-IRXDYDNUSA-N 2 2 358.552 0.923 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000515078160 490807740 /nfs/dbraw/zinc/80/77/40/490807740.db2.gz XQEQVNKCVHXHGJ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000515078160 490807743 /nfs/dbraw/zinc/80/77/43/490807743.db2.gz XQEQVNKCVHXHGJ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528603602 490811772 /nfs/dbraw/zinc/81/17/72/490811772.db2.gz DYZIHMTYJULPFQ-OALUTQOASA-N 2 2 361.486 0.172 20 0 FCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000540406131 490820802 /nfs/dbraw/zinc/82/08/02/490820802.db2.gz BWJRRHYJFVLVTK-OAHLLOKOSA-N 2 2 367.515 0.987 20 0 FCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000557183070 491358402 /nfs/dbraw/zinc/35/84/02/491358402.db2.gz FFKYFHCKSVTWDS-IRXDYDNUSA-N 2 2 362.474 0.947 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515433791 490826484 /nfs/dbraw/zinc/82/64/84/490826484.db2.gz ACZZPTVHOLARHB-AEFFLSMTSA-N 2 2 374.485 0.376 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515433791 490826487 /nfs/dbraw/zinc/82/64/87/490826487.db2.gz ACZZPTVHOLARHB-AEFFLSMTSA-N 2 2 374.485 0.376 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C(=O)NC[C@H]3CCS(=O)(=O)C3)n2c1 ZINC000540601805 490830317 /nfs/dbraw/zinc/83/03/17/490830317.db2.gz FMHRGKBQWKCSNL-ZIAGYGMSSA-N 2 2 364.471 0.672 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619372 490833883 /nfs/dbraw/zinc/83/38/83/490833883.db2.gz ZDPIWWJFCADMCK-PKOBYXMFSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000515619372 490833884 /nfs/dbraw/zinc/83/38/84/490833884.db2.gz ZDPIWWJFCADMCK-PKOBYXMFSA-N 3 2 374.533 0.481 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000557193860 491358824 /nfs/dbraw/zinc/35/88/24/491358824.db2.gz SAIOFCULGLVUHV-ZACQAIPSSA-N 3 2 355.527 0.408 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000557193860 491358827 /nfs/dbraw/zinc/35/88/27/491358827.db2.gz SAIOFCULGLVUHV-ZACQAIPSSA-N 3 2 355.527 0.408 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000529306529 490848736 /nfs/dbraw/zinc/84/87/36/490848736.db2.gz UWNBUMWSLWEOMP-QGZVFWFLSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000529306529 490848737 /nfs/dbraw/zinc/84/87/37/490848737.db2.gz UWNBUMWSLWEOMP-QGZVFWFLSA-N 2 2 368.522 0.897 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCCCCNc2cccc[nH+]2)CC[NH2+]CC1 ZINC000516070865 490848920 /nfs/dbraw/zinc/84/89/20/490848920.db2.gz SASPCXALXKINID-UHFFFAOYSA-N 2 2 354.476 0.557 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529355118 490856485 /nfs/dbraw/zinc/85/64/85/490856485.db2.gz GKUAWOYXRKZHMQ-JKSUJKDBSA-N 2 2 363.506 0.609 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000541251699 490856541 /nfs/dbraw/zinc/85/65/41/490856541.db2.gz SNUACTOVUNRGRG-OAHLLOKOSA-N 2 2 362.478 0.160 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529364056 490856637 /nfs/dbraw/zinc/85/66/37/490856637.db2.gz XGUBCTZBGYWXNL-OAHLLOKOSA-N 2 2 351.495 0.467 20 0 FCADLP Cc1cc(N2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000529372516 490857035 /nfs/dbraw/zinc/85/70/35/490857035.db2.gz FUVCYGOXYXHSBW-HNNXBMFYSA-N 2 2 362.478 0.728 20 0 FCADLP Cn1cc(-c2nc3ccccn3c2NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000516551259 490867722 /nfs/dbraw/zinc/86/77/22/490867722.db2.gz BEELDSVPKRYJNL-CQSZACIVSA-N 2 2 368.445 0.841 20 0 FCADLP Cn1cc(-c2nc3ccccn3c2NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000516551259 490867724 /nfs/dbraw/zinc/86/77/24/490867724.db2.gz BEELDSVPKRYJNL-CQSZACIVSA-N 2 2 368.445 0.841 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000516651209 490872907 /nfs/dbraw/zinc/87/29/07/490872907.db2.gz UQMHLLRZVYCQKL-HZPDHXFCSA-N 2 2 357.520 0.344 20 0 FCADLP CCC1(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000541901172 490877084 /nfs/dbraw/zinc/87/70/84/490877084.db2.gz AXQMUPYZYIALEF-UHFFFAOYSA-N 2 2 374.551 0.303 20 0 FCADLP COc1ccccc1[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000541980892 490881693 /nfs/dbraw/zinc/88/16/93/490881693.db2.gz MVLYQSVAAHQRKZ-MRXNPFEDSA-N 2 2 365.474 0.545 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000517125848 490895809 /nfs/dbraw/zinc/89/58/09/490895809.db2.gz CJMONQMKLZTTBN-JYJNAYRXSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000565238282 491363540 /nfs/dbraw/zinc/36/35/40/491363540.db2.gz GCDWMKIVEZMSFN-QZTJIDSGSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000565238282 491363543 /nfs/dbraw/zinc/36/35/43/491363543.db2.gz GCDWMKIVEZMSFN-QZTJIDSGSA-N 2 2 374.485 0.472 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000530573114 490913594 /nfs/dbraw/zinc/91/35/94/490913594.db2.gz VUUWPNZCDZKCIO-UHFFFAOYSA-N 2 2 373.545 0.952 20 0 FCADLP CCN1CC[NH+](CCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000530573114 490913595 /nfs/dbraw/zinc/91/35/95/490913595.db2.gz VUUWPNZCDZKCIO-UHFFFAOYSA-N 2 2 373.545 0.952 20 0 FCADLP COC(=O)c1nc2nc(C)cc(NCC[NH+]3CCC([NH+](C)C)CC3)n2n1 ZINC000530665286 490918469 /nfs/dbraw/zinc/91/84/69/490918469.db2.gz WSBNGUVCKXXDRA-UHFFFAOYSA-N 2 2 361.450 0.657 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517964575 490926765 /nfs/dbraw/zinc/92/67/65/490926765.db2.gz GRYPDSIRGIHIEF-KGLIPLIRSA-N 2 2 374.445 0.002 20 0 FCADLP Cn1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000572360116 491364803 /nfs/dbraw/zinc/36/48/03/491364803.db2.gz GVQOGJDJLKKPIE-AWEZNQCLSA-N 2 2 357.462 0.568 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905606 490931113 /nfs/dbraw/zinc/93/11/13/490931113.db2.gz PGVKFODBFCAYLZ-LSDHHAIUSA-N 2 2 362.540 0.189 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905606 490931114 /nfs/dbraw/zinc/93/11/14/490931114.db2.gz PGVKFODBFCAYLZ-LSDHHAIUSA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905606 490931117 /nfs/dbraw/zinc/93/11/17/490931117.db2.gz PGVKFODBFCAYLZ-LSDHHAIUSA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905606 490931120 /nfs/dbraw/zinc/93/11/20/490931120.db2.gz PGVKFODBFCAYLZ-LSDHHAIUSA-N 2 2 362.540 0.189 20 0 FCADLP C[C@H]1CCCC[C@@H]1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000543394625 490931835 /nfs/dbraw/zinc/93/18/35/490931835.db2.gz VICVHVMQMPVYHR-DLBZAZTESA-N 2 2 358.552 0.923 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000518179298 490932530 /nfs/dbraw/zinc/93/25/30/490932530.db2.gz TXUOLMBQTKEDBO-IBGZPJMESA-N 2 2 370.497 0.934 20 0 FCADLP O=C1NCCc2ccc(C[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)cc21 ZINC000543598099 490938176 /nfs/dbraw/zinc/93/81/76/490938176.db2.gz YAOJKLOPJCZDRO-UHFFFAOYSA-N 2 2 372.513 0.859 20 0 FCADLP O=C1NCCc2ccc(C[NH2+]C3CC[NH+](CCN4CCOCC4)CC3)cc21 ZINC000543598099 490938178 /nfs/dbraw/zinc/93/81/78/490938178.db2.gz YAOJKLOPJCZDRO-UHFFFAOYSA-N 2 2 372.513 0.859 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000518628693 490947448 /nfs/dbraw/zinc/94/74/48/490947448.db2.gz IVCANSPPGMDFRY-HNNXBMFYSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000518735935 490949429 /nfs/dbraw/zinc/94/94/29/490949429.db2.gz IYRLOOYBUVYJOA-INIZCTEOSA-N 2 2 365.522 0.714 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000543841000 490949522 /nfs/dbraw/zinc/94/95/22/490949522.db2.gz ZIFCRKBVYFTTOC-AWEZNQCLSA-N 2 2 356.264 0.846 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000518733973 490949658 /nfs/dbraw/zinc/94/96/58/490949658.db2.gz LSAVKOLLHXJXPG-OAHLLOKOSA-N 2 2 351.426 0.230 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000518733973 490949659 /nfs/dbraw/zinc/94/96/59/490949659.db2.gz LSAVKOLLHXJXPG-OAHLLOKOSA-N 2 2 351.426 0.230 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000518824455 490953117 /nfs/dbraw/zinc/95/31/17/490953117.db2.gz ZAQQWYYVSNGYTI-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000518824455 490953119 /nfs/dbraw/zinc/95/31/19/490953119.db2.gz ZAQQWYYVSNGYTI-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000519223088 490965680 /nfs/dbraw/zinc/96/56/80/490965680.db2.gz RAFHIWULNAHOGI-HOCLYGCPSA-N 2 2 359.536 0.732 20 0 FCADLP O=C1C[C@@H]([NH2+][C@H]2CCC(=O)Nc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000544382069 490966976 /nfs/dbraw/zinc/96/69/76/490966976.db2.gz NQUWCOMHEDDFSD-QAPCUYQASA-N 2 2 372.469 0.983 20 0 FCADLP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000544593530 490973226 /nfs/dbraw/zinc/97/32/26/490973226.db2.gz KWTZUNONFGWUIR-HNNXBMFYSA-N 2 2 360.462 0.685 20 0 FCADLP C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000544593530 490973228 /nfs/dbraw/zinc/97/32/28/490973228.db2.gz KWTZUNONFGWUIR-HNNXBMFYSA-N 2 2 360.462 0.685 20 0 FCADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519532691 490974458 /nfs/dbraw/zinc/97/44/58/490974458.db2.gz DZHRCYNZZRCCHF-ARFHVFGLSA-N 2 2 357.458 0.235 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000519690928 490984348 /nfs/dbraw/zinc/98/43/48/490984348.db2.gz PTNHFOVNPKKDGQ-DZGCQCFKSA-N 2 2 372.477 0.712 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000596048976 491973925 /nfs/dbraw/zinc/97/39/25/491973925.db2.gz XEOOJUYPVRTEEJ-JQWIXIFHSA-N 2 2 366.384 0.606 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996141 492009227 /nfs/dbraw/zinc/00/92/27/492009227.db2.gz QBHXJZSVKBCTPX-UXPWSPDFSA-N 3 2 372.513 0.675 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673494262 493335649 /nfs/dbraw/zinc/33/56/49/493335649.db2.gz WMFCUHQPGRILIF-GOEBONIOSA-N 2 2 368.547 0.483 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673494262 493335651 /nfs/dbraw/zinc/33/56/51/493335651.db2.gz WMFCUHQPGRILIF-GOEBONIOSA-N 2 2 368.547 0.483 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000569602671 491173359 /nfs/dbraw/zinc/17/33/59/491173359.db2.gz JKHZBHYKVMMEGM-ZNMIVQPWSA-N 2 2 350.467 0.211 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000569602671 491173363 /nfs/dbraw/zinc/17/33/63/491173363.db2.gz JKHZBHYKVMMEGM-ZNMIVQPWSA-N 2 2 350.467 0.211 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554062145 491174261 /nfs/dbraw/zinc/17/42/61/491174261.db2.gz RTGRBACTUPQSSH-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP O=C(CNC(=O)Cc1cn2ccccc2[nH+]1)NCC[NH+]1CCCCCC1 ZINC000554218554 491184853 /nfs/dbraw/zinc/18/48/53/491184853.db2.gz LOPLGASQXZHHOQ-UHFFFAOYSA-N 2 2 357.458 0.985 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720898 491185634 /nfs/dbraw/zinc/18/56/34/491185634.db2.gz UOMMUBDEGKHVCZ-GOEBONIOSA-N 2 2 367.519 0.396 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720898 491185636 /nfs/dbraw/zinc/18/56/36/491185636.db2.gz UOMMUBDEGKHVCZ-GOEBONIOSA-N 2 2 367.519 0.396 20 0 FCADLP O=C1CCc2cc(OC[C@@H](O)C[NH2+]CCC[NH+]3CCOCC3)ccc2N1 ZINC000562782040 491188914 /nfs/dbraw/zinc/18/89/14/491188914.db2.gz KODLLRPFDAXTBJ-INIZCTEOSA-N 2 2 363.458 0.623 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000572405479 491368407 /nfs/dbraw/zinc/36/84/07/491368407.db2.gz PHEYOGITAYGWHP-BHYGNILZSA-N 2 2 371.547 0.732 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000557452661 491375284 /nfs/dbraw/zinc/37/52/84/491375284.db2.gz UOTAHDLJSIJCIL-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000557452661 491375287 /nfs/dbraw/zinc/37/52/87/491375287.db2.gz UOTAHDLJSIJCIL-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000572619344 491381919 /nfs/dbraw/zinc/38/19/19/491381919.db2.gz HHRIPHICPIMMIV-QPJJXVBHSA-N 2 2 357.502 0.932 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000557581029 491384820 /nfs/dbraw/zinc/38/48/20/491384820.db2.gz KAXIOWYKDBJGLD-KBPBESRZSA-N 2 2 372.473 0.970 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000660274338 493338679 /nfs/dbraw/zinc/33/86/79/493338679.db2.gz LEAIGDLYJFCCCE-UHFFFAOYSA-N 2 2 358.450 0.553 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000660274338 493338682 /nfs/dbraw/zinc/33/86/82/493338682.db2.gz LEAIGDLYJFCCCE-UHFFFAOYSA-N 2 2 358.450 0.553 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572663156 491385195 /nfs/dbraw/zinc/38/51/95/491385195.db2.gz HCXCFULKXMEPCQ-WBVHZDCISA-N 2 2 360.458 0.158 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572663156 491385198 /nfs/dbraw/zinc/38/51/98/491385198.db2.gz HCXCFULKXMEPCQ-WBVHZDCISA-N 2 2 360.458 0.158 20 0 FCADLP COCCC(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000565594749 491387224 /nfs/dbraw/zinc/38/72/24/491387224.db2.gz WTQSPAODQGKDHL-ZOBUZTSGSA-N 2 2 357.495 0.074 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000572717788 491388734 /nfs/dbraw/zinc/38/87/34/491388734.db2.gz COSTYYFSKVIPDF-HOCLYGCPSA-N 2 2 374.489 0.539 20 0 FCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000572717788 491388736 /nfs/dbraw/zinc/38/87/36/491388736.db2.gz COSTYYFSKVIPDF-HOCLYGCPSA-N 2 2 374.489 0.539 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557706761 491392725 /nfs/dbraw/zinc/39/27/25/491392725.db2.gz PAWJUKAGJRMCQH-ULQDDVLXSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557706761 491392727 /nfs/dbraw/zinc/39/27/27/491392727.db2.gz PAWJUKAGJRMCQH-ULQDDVLXSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557707451 491392734 /nfs/dbraw/zinc/39/27/34/491392734.db2.gz JPPSWMCWYXYBET-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557707451 491392735 /nfs/dbraw/zinc/39/27/35/491392735.db2.gz JPPSWMCWYXYBET-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557707452 491392785 /nfs/dbraw/zinc/39/27/85/491392785.db2.gz JPPSWMCWYXYBET-GVDBMIGSSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557707452 491392786 /nfs/dbraw/zinc/39/27/86/491392786.db2.gz JPPSWMCWYXYBET-GVDBMIGSSA-N 2 2 368.522 0.306 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000572842698 491396690 /nfs/dbraw/zinc/39/66/90/491396690.db2.gz TWCMWCDVIQMZGF-CQSZACIVSA-N 2 2 353.488 0.833 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000565913241 491407314 /nfs/dbraw/zinc/40/73/14/491407314.db2.gz ZRKXAIZXUXSVEC-GOSISDBHSA-N 2 2 370.563 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000565913241 491407315 /nfs/dbraw/zinc/40/73/15/491407315.db2.gz ZRKXAIZXUXSVEC-GOSISDBHSA-N 2 2 370.563 0.873 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000573074992 491410573 /nfs/dbraw/zinc/41/05/73/491410573.db2.gz VXXSQNZVPJSXSV-QBPKDAKJSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000573074995 491410685 /nfs/dbraw/zinc/41/06/85/491410685.db2.gz VXXSQNZVPJSXSV-VQHPVUNQSA-N 2 2 366.506 0.189 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCOCC2)cc1 ZINC000573073206 491410733 /nfs/dbraw/zinc/41/07/33/491410733.db2.gz YJRNGZHDEGSXSO-QZTJIDSGSA-N 2 2 362.474 0.656 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000565999661 491411438 /nfs/dbraw/zinc/41/14/38/491411438.db2.gz SQQZYTVFQGJIHP-MRXNPFEDSA-N 2 2 351.495 0.454 20 0 FCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000558133639 491415971 /nfs/dbraw/zinc/41/59/71/491415971.db2.gz WRZLBTYPAVHNGL-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660301597 493341698 /nfs/dbraw/zinc/34/16/98/493341698.db2.gz VNMBXWHGRMMRKQ-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660301597 493341702 /nfs/dbraw/zinc/34/17/02/493341702.db2.gz VNMBXWHGRMMRKQ-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP COc1ccc([C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2nccn2C)cc1 ZINC000566107204 491417666 /nfs/dbraw/zinc/41/76/66/491417666.db2.gz GVPAMWYYBDUSGL-HKUYNNGSSA-N 2 2 373.501 0.716 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)C[C@H](C)O1 ZINC000566106380 491417758 /nfs/dbraw/zinc/41/77/58/491417758.db2.gz NZRCLHMAEXEGMO-JZXOWHBKSA-N 2 2 364.490 0.478 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)C[C@H](C)O1 ZINC000566106380 491417761 /nfs/dbraw/zinc/41/77/61/491417761.db2.gz NZRCLHMAEXEGMO-JZXOWHBKSA-N 2 2 364.490 0.478 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+]CC2([NH3+])CCC2)ccc1Cl ZINC000566244233 491430052 /nfs/dbraw/zinc/43/00/52/491430052.db2.gz FMYWPSXHUHMTIV-UHFFFAOYSA-N 2 2 374.894 1.000 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CN=NC1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000566248730 491430576 /nfs/dbraw/zinc/43/05/76/491430576.db2.gz OZCYMVBMJYNTRP-CYBMUJFWSA-N 2 2 359.434 0.371 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000573407791 491431574 /nfs/dbraw/zinc/43/15/74/491431574.db2.gz FRJYIAOTQHRNMH-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000573407791 491431576 /nfs/dbraw/zinc/43/15/76/491431576.db2.gz FRJYIAOTQHRNMH-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000573407791 491431578 /nfs/dbraw/zinc/43/15/78/491431578.db2.gz FRJYIAOTQHRNMH-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000573407791 491431579 /nfs/dbraw/zinc/43/15/79/491431579.db2.gz FRJYIAOTQHRNMH-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000558523496 491434449 /nfs/dbraw/zinc/43/44/49/491434449.db2.gz AAIFWLFOFSNNIT-SFHVURJKSA-N 2 2 369.469 0.930 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000558523496 491434451 /nfs/dbraw/zinc/43/44/51/491434451.db2.gz AAIFWLFOFSNNIT-SFHVURJKSA-N 2 2 369.469 0.930 20 0 FCADLP C[C@@H](CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000660322490 493342937 /nfs/dbraw/zinc/34/29/37/493342937.db2.gz AISFMMZKAGZXIX-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000573548829 491439712 /nfs/dbraw/zinc/43/97/12/491439712.db2.gz IEAHRCYDPLXPFK-KBRIMQKVSA-N 2 2 367.444 0.913 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000573548829 491439714 /nfs/dbraw/zinc/43/97/14/491439714.db2.gz IEAHRCYDPLXPFK-KBRIMQKVSA-N 2 2 367.444 0.913 20 0 FCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000573570403 491441894 /nfs/dbraw/zinc/44/18/94/491441894.db2.gz VZGXAGUZPNGRCV-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000573570403 491441896 /nfs/dbraw/zinc/44/18/96/491441896.db2.gz VZGXAGUZPNGRCV-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000558702064 491442315 /nfs/dbraw/zinc/44/23/15/491442315.db2.gz FYVGUQLBTIIZES-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000558702064 491442318 /nfs/dbraw/zinc/44/23/18/491442318.db2.gz FYVGUQLBTIIZES-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566441872 491443666 /nfs/dbraw/zinc/44/36/66/491443666.db2.gz LHRSTZMNJGLGMW-OALUTQOASA-N 2 2 361.486 0.660 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566441872 491443667 /nfs/dbraw/zinc/44/36/67/491443667.db2.gz LHRSTZMNJGLGMW-OALUTQOASA-N 2 2 361.486 0.660 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N(CC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)ccn12 ZINC000566442313 491444260 /nfs/dbraw/zinc/44/42/60/491444260.db2.gz QXKKIJGUATTZHX-OAHLLOKOSA-N 2 2 364.471 0.834 20 0 FCADLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000566455961 491445120 /nfs/dbraw/zinc/44/51/20/491445120.db2.gz RKPOBEMNWXLTLM-LJQANCHMSA-N 2 2 360.458 0.100 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C[NH3+])C1 ZINC000573665517 491446992 /nfs/dbraw/zinc/44/69/92/491446992.db2.gz FKCNJYJIWBEDIN-AWEZNQCLSA-N 2 2 367.475 0.234 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C[NH3+])C1 ZINC000573665517 491446993 /nfs/dbraw/zinc/44/69/93/491446993.db2.gz FKCNJYJIWBEDIN-AWEZNQCLSA-N 2 2 367.475 0.234 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)C1 ZINC000573673008 491447689 /nfs/dbraw/zinc/44/76/89/491447689.db2.gz XVYWQWJYDVXSOZ-ZHALLVOQSA-N 2 2 366.550 0.564 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)C1 ZINC000573673008 491447691 /nfs/dbraw/zinc/44/76/91/491447691.db2.gz XVYWQWJYDVXSOZ-ZHALLVOQSA-N 2 2 366.550 0.564 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707025 491449646 /nfs/dbraw/zinc/44/96/46/491449646.db2.gz DNUCXXLTJRBREI-PBHICJAKSA-N 2 2 368.503 0.487 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707025 491449648 /nfs/dbraw/zinc/44/96/48/491449648.db2.gz DNUCXXLTJRBREI-PBHICJAKSA-N 2 2 368.503 0.487 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H](C)O1 ZINC000573835036 491457782 /nfs/dbraw/zinc/45/77/82/491457782.db2.gz OJRYMAORLJDFRK-KBUPBQIOSA-N 2 2 369.428 0.309 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)[C@@H](C[NH3+])C1 ZINC000566728226 491462955 /nfs/dbraw/zinc/46/29/55/491462955.db2.gz QVNIRQMWOVMMEC-HOTGVXAUSA-N 2 2 351.495 0.594 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)[C@@H](C[NH3+])C1 ZINC000566728226 491462957 /nfs/dbraw/zinc/46/29/57/491462957.db2.gz QVNIRQMWOVMMEC-HOTGVXAUSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000566732313 491463519 /nfs/dbraw/zinc/46/35/19/491463519.db2.gz XNUYIMYCINZIAO-SJORKVTESA-N 2 2 359.536 0.793 20 0 FCADLP CCOCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000559351558 491466332 /nfs/dbraw/zinc/46/63/32/491466332.db2.gz JMTVYXLOOPEVKX-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP Cc1nc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])sc1Br ZINC000574024707 491469257 /nfs/dbraw/zinc/46/92/57/491469257.db2.gz MOSFBQIISPXNBS-SECBINFHSA-N 2 2 362.297 0.998 20 0 FCADLP Cc1nc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])sc1Br ZINC000574024707 491469260 /nfs/dbraw/zinc/46/92/60/491469260.db2.gz MOSFBQIISPXNBS-SECBINFHSA-N 2 2 362.297 0.998 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000559397880 491469940 /nfs/dbraw/zinc/46/99/40/491469940.db2.gz SJDQZZOJZSCIEZ-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000566859694 491471929 /nfs/dbraw/zinc/47/19/29/491471929.db2.gz CCNOVFMSXWCDCM-HOTGVXAUSA-N 2 2 359.474 0.791 20 0 FCADLP CC(=O)NCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574079624 491473088 /nfs/dbraw/zinc/47/30/88/491473088.db2.gz JWJGSOXRNKKXIF-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CC(=O)NCC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574079624 491473090 /nfs/dbraw/zinc/47/30/90/491473090.db2.gz JWJGSOXRNKKXIF-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CCCc1ccc(S(=O)(=O)N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000574084073 491473695 /nfs/dbraw/zinc/47/36/95/491473695.db2.gz SXRSFBCQOHMMAO-UHFFFAOYSA-N 2 2 355.504 0.921 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549892 491480251 /nfs/dbraw/zinc/48/02/51/491480251.db2.gz OQHVMIVRYJZVGG-ZACQAIPSSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549892 491480252 /nfs/dbraw/zinc/48/02/52/491480252.db2.gz OQHVMIVRYJZVGG-ZACQAIPSSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552293 491480761 /nfs/dbraw/zinc/48/07/61/491480761.db2.gz SVWSIZQDHZISGY-IAGOWNOFSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000559552293 491480762 /nfs/dbraw/zinc/48/07/62/491480762.db2.gz SVWSIZQDHZISGY-IAGOWNOFSA-N 2 2 368.522 0.258 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000559636011 491488315 /nfs/dbraw/zinc/48/83/15/491488315.db2.gz DTZDXSQJIIEPEW-HOCLYGCPSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CC([NH3+])C1 ZINC000567148841 491488529 /nfs/dbraw/zinc/48/85/29/491488529.db2.gz XZHYPSYHOUGZTG-UHFFFAOYSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000574452538 491497707 /nfs/dbraw/zinc/49/77/07/491497707.db2.gz BGOCDKTTZVEJAJ-GFCCVEGCSA-N 2 2 354.476 0.735 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766774 491498145 /nfs/dbraw/zinc/49/81/45/491498145.db2.gz KUCICUZFVUMMRJ-WMLDXEAASA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766774 491498146 /nfs/dbraw/zinc/49/81/46/491498146.db2.gz KUCICUZFVUMMRJ-WMLDXEAASA-N 2 2 352.504 0.547 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000559785555 491499977 /nfs/dbraw/zinc/49/99/77/491499977.db2.gz ZUEWRTBZIIVVGR-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000559785555 491499978 /nfs/dbraw/zinc/49/99/78/491499978.db2.gz ZUEWRTBZIIVVGR-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000567345612 491500576 /nfs/dbraw/zinc/50/05/76/491500576.db2.gz NNTKOKUGAFJAEM-MRXNPFEDSA-N 2 2 361.446 0.974 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000574503818 491500998 /nfs/dbraw/zinc/50/09/98/491500998.db2.gz CLCHKSJWFKOJAL-OAHLLOKOSA-N 2 2 354.495 0.494 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000574503818 491500999 /nfs/dbraw/zinc/50/09/99/491500999.db2.gz CLCHKSJWFKOJAL-OAHLLOKOSA-N 2 2 354.495 0.494 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000574510908 491501718 /nfs/dbraw/zinc/50/17/18/491501718.db2.gz AGUQDHYUZVEWSQ-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000574510908 491501721 /nfs/dbraw/zinc/50/17/21/491501721.db2.gz AGUQDHYUZVEWSQ-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000567364810 491501908 /nfs/dbraw/zinc/50/19/08/491501908.db2.gz VIYJUHDPYOBXNL-SFHVURJKSA-N 2 2 352.523 0.772 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524431 491502634 /nfs/dbraw/zinc/50/26/34/491502634.db2.gz AEARCUXCOKTODD-IAGOWNOFSA-N 2 2 361.490 0.877 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524431 491502636 /nfs/dbraw/zinc/50/26/36/491502636.db2.gz AEARCUXCOKTODD-IAGOWNOFSA-N 2 2 361.490 0.877 20 0 FCADLP CN1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000574546917 491504546 /nfs/dbraw/zinc/50/45/46/491504546.db2.gz VKHGMLGJJAZUKT-QZTJIDSGSA-N 2 2 361.490 0.344 20 0 FCADLP COC(=O)c1cn(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)nn1 ZINC000559934812 491511171 /nfs/dbraw/zinc/51/11/71/491511171.db2.gz SUESUENFEILKFO-UHFFFAOYSA-N 2 2 365.357 0.701 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000559968128 491512545 /nfs/dbraw/zinc/51/25/45/491512545.db2.gz WEDRSDQKAHDSJL-ILXRZTDVSA-N 2 2 351.451 0.003 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813243 491521964 /nfs/dbraw/zinc/52/19/64/491521964.db2.gz VOYCTTIDOKDWNS-HUUCEWRRSA-N 2 2 362.499 0.574 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813243 491521965 /nfs/dbraw/zinc/52/19/65/491521965.db2.gz VOYCTTIDOKDWNS-HUUCEWRRSA-N 2 2 362.499 0.574 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000567680397 491522585 /nfs/dbraw/zinc/52/25/85/491522585.db2.gz XLCIVFVPPHOLJD-JKIFEVAISA-N 2 2 371.503 0.618 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000567680397 491522587 /nfs/dbraw/zinc/52/25/87/491522587.db2.gz XLCIVFVPPHOLJD-JKIFEVAISA-N 2 2 371.503 0.618 20 0 FCADLP CCN1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000574900194 491526615 /nfs/dbraw/zinc/52/66/15/491526615.db2.gz UWKFYUIXCLALNA-HNNXBMFYSA-N 2 2 350.467 0.520 20 0 FCADLP CCN1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000574900194 491526616 /nfs/dbraw/zinc/52/66/16/491526616.db2.gz UWKFYUIXCLALNA-HNNXBMFYSA-N 2 2 350.467 0.520 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)[nH+]c2c1 ZINC000560306851 491530124 /nfs/dbraw/zinc/53/01/24/491530124.db2.gz KNAHXHYHRWTYIC-UHFFFAOYSA-N 2 2 355.442 0.813 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c(=O)[nH]c1=O ZINC000575060357 491536975 /nfs/dbraw/zinc/53/69/75/491536975.db2.gz MWNSRYJRSSARJY-UHFFFAOYSA-N 2 2 373.457 0.975 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c(=O)[nH]c1=O ZINC000575060357 491536979 /nfs/dbraw/zinc/53/69/79/491536979.db2.gz MWNSRYJRSSARJY-UHFFFAOYSA-N 2 2 373.457 0.975 20 0 FCADLP [NH3+]C1(C[NH2+]CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCC1 ZINC000567891981 491539131 /nfs/dbraw/zinc/53/91/31/491539131.db2.gz DETXXOJLXDSALJ-OAHLLOKOSA-N 2 2 357.520 0.806 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000560432679 491539702 /nfs/dbraw/zinc/53/97/02/491539702.db2.gz FZSOJHLEPZOSJN-HZTRTUMWSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000560432679 491539703 /nfs/dbraw/zinc/53/97/03/491539703.db2.gz FZSOJHLEPZOSJN-HZTRTUMWSA-N 2 2 363.506 0.606 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(S(=O)(=O)CC)C3)CC2)CC1 ZINC000575194057 491544522 /nfs/dbraw/zinc/54/45/22/491544522.db2.gz AALDAQXWJOVAQS-UHFFFAOYSA-N 2 2 371.547 0.828 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000568056863 491550582 /nfs/dbraw/zinc/55/05/82/491550582.db2.gz CZLHLTIQLJLMNO-UHFFFAOYSA-N 2 2 374.894 0.987 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164780 491556710 /nfs/dbraw/zinc/55/67/10/491556710.db2.gz ZYORNBKUTBLHAU-SJORKVTESA-N 2 2 364.490 0.980 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164780 491556713 /nfs/dbraw/zinc/55/67/13/491556713.db2.gz ZYORNBKUTBLHAU-SJORKVTESA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164780 491556715 /nfs/dbraw/zinc/55/67/15/491556715.db2.gz ZYORNBKUTBLHAU-SJORKVTESA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164780 491556717 /nfs/dbraw/zinc/55/67/17/491556717.db2.gz ZYORNBKUTBLHAU-SJORKVTESA-N 2 2 364.490 0.980 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000560778789 491557305 /nfs/dbraw/zinc/55/73/05/491557305.db2.gz XTEAFAMQDSGUQU-JKSUJKDBSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000560778789 491557306 /nfs/dbraw/zinc/55/73/06/491557306.db2.gz XTEAFAMQDSGUQU-JKSUJKDBSA-N 2 2 361.490 0.973 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000560860707 491560986 /nfs/dbraw/zinc/56/09/86/491560986.db2.gz RWSOWSRACRUPJK-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc(N)nc4c3cnn4C)CC2)CC1 ZINC000568251330 491562155 /nfs/dbraw/zinc/56/21/55/491562155.db2.gz OLBCHGGNOBDRRQ-UHFFFAOYSA-N 2 2 358.494 0.940 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000575898516 491568695 /nfs/dbraw/zinc/56/86/95/491568695.db2.gz DTMLNKJMILMCNB-QZTJIDSGSA-N 2 2 362.474 0.738 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000575898679 491568729 /nfs/dbraw/zinc/56/87/29/491568729.db2.gz YFBMXCLGVFHMTQ-ROUUACIJSA-N 2 2 362.474 0.565 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000575898679 491568731 /nfs/dbraw/zinc/56/87/31/491568731.db2.gz YFBMXCLGVFHMTQ-ROUUACIJSA-N 2 2 362.474 0.565 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000561180715 491580796 /nfs/dbraw/zinc/58/07/96/491580796.db2.gz AXQQZWFQFZYFCD-NVXWUHKLSA-N 2 2 365.522 0.700 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000576100551 491581233 /nfs/dbraw/zinc/58/12/33/491581233.db2.gz PRAKYNBHWRVCAF-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000576100551 491581237 /nfs/dbraw/zinc/58/12/37/491581237.db2.gz PRAKYNBHWRVCAF-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000568510811 491581975 /nfs/dbraw/zinc/58/19/75/491581975.db2.gz AZLXFJNWAJPCOP-OLZOCXBDSA-N 2 2 365.243 0.840 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000561229946 491586101 /nfs/dbraw/zinc/58/61/01/491586101.db2.gz WDMJEUGLWNIDBR-ROUUACIJSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000561229946 491586104 /nfs/dbraw/zinc/58/61/04/491586104.db2.gz WDMJEUGLWNIDBR-ROUUACIJSA-N 2 2 374.485 0.201 20 0 FCADLP CN(CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000577066536 491586226 /nfs/dbraw/zinc/58/62/26/491586226.db2.gz VQAIGDHMMAKIDP-CABCVRRESA-N 2 2 370.457 0.479 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000561229945 491586364 /nfs/dbraw/zinc/58/63/64/491586364.db2.gz WDMJEUGLWNIDBR-QZTJIDSGSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000561229945 491586367 /nfs/dbraw/zinc/58/63/67/491586367.db2.gz WDMJEUGLWNIDBR-QZTJIDSGSA-N 2 2 374.485 0.201 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584399760 491586680 /nfs/dbraw/zinc/58/66/80/491586680.db2.gz QJEKAQDECWWHPO-HZPDHXFCSA-N 2 2 361.494 0.510 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000577081554 491588347 /nfs/dbraw/zinc/58/83/47/491588347.db2.gz NVAVOPFZZXQGCN-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP COC(=O)c1ccc(OCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000584427561 491590774 /nfs/dbraw/zinc/59/07/74/491590774.db2.gz BLIJTUCGRYQZJD-HLLBOEOZSA-N 2 2 366.458 0.912 20 0 FCADLP COC(=O)c1ccc(OCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000584427561 491590777 /nfs/dbraw/zinc/59/07/77/491590777.db2.gz BLIJTUCGRYQZJD-HLLBOEOZSA-N 2 2 366.458 0.912 20 0 FCADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000561278828 491593642 /nfs/dbraw/zinc/59/36/42/491593642.db2.gz BISWSNONPIZWNL-ZBFHGGJFSA-N 2 2 363.458 0.555 20 0 FCADLP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000561278828 491593645 /nfs/dbraw/zinc/59/36/45/491593645.db2.gz BISWSNONPIZWNL-ZBFHGGJFSA-N 2 2 363.458 0.555 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1C[NH2+]C1 ZINC000568626588 491593852 /nfs/dbraw/zinc/59/38/52/491593852.db2.gz VMNQLSSBQQPCFS-HNNXBMFYSA-N 2 2 350.507 0.683 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000568626055 491594158 /nfs/dbraw/zinc/59/41/58/491594158.db2.gz NLMJDEQGOVHIJE-DLBZAZTESA-N 2 2 350.507 0.955 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000576265107 491598694 /nfs/dbraw/zinc/59/86/94/491598694.db2.gz XUWCTKLZSUMJNM-CVEARBPZSA-N 2 2 359.474 0.791 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000568664964 491598701 /nfs/dbraw/zinc/59/87/01/491598701.db2.gz YOBCSNPWXVFFIB-UHFFFAOYSA-N 2 2 371.445 0.153 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000584519347 491599303 /nfs/dbraw/zinc/59/93/03/491599303.db2.gz BAMPGZAESDIIPB-KRWDZBQOSA-N 2 2 365.522 0.714 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000584527539 491600879 /nfs/dbraw/zinc/60/08/79/491600879.db2.gz REOINUKXQRILEA-GJZGRUSLSA-N 2 2 368.428 0.942 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000561368216 491601899 /nfs/dbraw/zinc/60/18/99/491601899.db2.gz UICLKNCIYLJZQB-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000561367924 491602229 /nfs/dbraw/zinc/60/22/29/491602229.db2.gz MMATYQMDMVUPRD-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000568760735 491607159 /nfs/dbraw/zinc/60/71/59/491607159.db2.gz XZCGWRYDXODISR-GJZGRUSLSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000568760735 491607160 /nfs/dbraw/zinc/60/71/60/491607160.db2.gz XZCGWRYDXODISR-GJZGRUSLSA-N 2 2 350.850 0.794 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000576388761 491610186 /nfs/dbraw/zinc/61/01/86/491610186.db2.gz FGPLEYUCZOUIQF-RTBURBONSA-N 2 2 370.497 0.850 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000576397599 491611562 /nfs/dbraw/zinc/61/15/62/491611562.db2.gz WPCQVCXZVDQKNE-MOPGFXCFSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000576397599 491611563 /nfs/dbraw/zinc/61/15/63/491611563.db2.gz WPCQVCXZVDQKNE-MOPGFXCFSA-N 2 2 370.497 0.931 20 0 FCADLP [NH3+]C[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000568848514 491613303 /nfs/dbraw/zinc/61/33/03/491613303.db2.gz XPCVUHLJCKJJNW-QGZVFWFLSA-N 2 2 365.522 0.844 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCN3C(=O)CNC3=O)c2cc1C ZINC000568873464 491615495 /nfs/dbraw/zinc/61/54/95/491615495.db2.gz YSQMHZNHRBMKEV-CQSZACIVSA-N 2 2 359.430 0.546 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)[C@H](C[NH3+])C1 ZINC000576450977 491615702 /nfs/dbraw/zinc/61/57/02/491615702.db2.gz LFBNDUNFYWHXMO-LLVKDONJSA-N 2 2 372.372 0.801 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cc3c(cc2OC(F)F)OCO3)[C@H](C[NH3+])C1 ZINC000576450977 491615706 /nfs/dbraw/zinc/61/57/06/491615706.db2.gz LFBNDUNFYWHXMO-LLVKDONJSA-N 2 2 372.372 0.801 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522585 491622019 /nfs/dbraw/zinc/62/20/19/491622019.db2.gz SVEMMTZOFNDIIA-UWVAXJGDSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522585 491622022 /nfs/dbraw/zinc/62/20/22/491622022.db2.gz SVEMMTZOFNDIIA-UWVAXJGDSA-N 2 2 374.485 0.999 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576543264 491623978 /nfs/dbraw/zinc/62/39/78/491623978.db2.gz GSRILQBHDNVBOM-CQSZACIVSA-N 2 2 358.552 0.729 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000576543264 491623976 /nfs/dbraw/zinc/62/39/76/491623976.db2.gz GSRILQBHDNVBOM-CQSZACIVSA-N 2 2 358.552 0.729 20 0 FCADLP Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2=O)cc1 ZINC000576611521 491629266 /nfs/dbraw/zinc/62/92/66/491629266.db2.gz GFTMCARCRIAQCR-IAGOWNOFSA-N 2 2 359.474 0.380 20 0 FCADLP Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2=O)cc1 ZINC000576611521 491629267 /nfs/dbraw/zinc/62/92/67/491629267.db2.gz GFTMCARCRIAQCR-IAGOWNOFSA-N 2 2 359.474 0.380 20 0 FCADLP C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)[NH+]1CCSCC1 ZINC000569035741 491629704 /nfs/dbraw/zinc/62/97/04/491629704.db2.gz YJLJYPWMFCNLGH-OAHLLOKOSA-N 2 2 356.536 0.532 20 0 FCADLP COc1ccc([C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000569123767 491636202 /nfs/dbraw/zinc/63/62/02/491636202.db2.gz XQCNBTCKWPFUJI-ZENOOKHLSA-N 2 2 373.457 0.876 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000577632664 491638213 /nfs/dbraw/zinc/63/82/13/491638213.db2.gz XUWCUVZGRHYCBS-JKSUJKDBSA-N 2 2 359.474 0.754 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000576743401 491641159 /nfs/dbraw/zinc/64/11/59/491641159.db2.gz AWEMQQHAKDDVKN-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000576743401 491641161 /nfs/dbraw/zinc/64/11/61/491641161.db2.gz AWEMQQHAKDDVKN-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000561953676 491642215 /nfs/dbraw/zinc/64/22/15/491642215.db2.gz XGIPOQCJQKFEJN-OAHLLOKOSA-N 2 2 350.463 0.844 20 0 FCADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000561953676 491642218 /nfs/dbraw/zinc/64/22/18/491642218.db2.gz XGIPOQCJQKFEJN-OAHLLOKOSA-N 2 2 350.463 0.844 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000561998065 491645379 /nfs/dbraw/zinc/64/53/79/491645379.db2.gz BVUUUQUTGKADRK-GOEBONIOSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000561998065 491645380 /nfs/dbraw/zinc/64/53/80/491645380.db2.gz BVUUUQUTGKADRK-GOEBONIOSA-N 2 2 359.474 0.869 20 0 FCADLP COCC[C@]1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559009 493358533 /nfs/dbraw/zinc/35/85/33/493358533.db2.gz JLRTUEQXNSZEAB-YJBOKZPZSA-N 2 2 354.495 0.650 20 0 FCADLP COCC[C@]1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559009 493358536 /nfs/dbraw/zinc/35/85/36/493358536.db2.gz JLRTUEQXNSZEAB-YJBOKZPZSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577942103 491664382 /nfs/dbraw/zinc/66/43/82/491664382.db2.gz SPGDXDLAEMPJHM-OIISXLGYSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577942103 491664383 /nfs/dbraw/zinc/66/43/83/491664383.db2.gz SPGDXDLAEMPJHM-OIISXLGYSA-N 2 2 354.495 0.635 20 0 FCADLP COCCCOc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000578334836 491674995 /nfs/dbraw/zinc/67/49/95/491674995.db2.gz SAXQNHQIRVIEAL-MRXNPFEDSA-N 2 2 350.463 0.886 20 0 FCADLP COCCCOc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000578334836 491674996 /nfs/dbraw/zinc/67/49/96/491674996.db2.gz SAXQNHQIRVIEAL-MRXNPFEDSA-N 2 2 350.463 0.886 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454056 491677564 /nfs/dbraw/zinc/67/75/64/491677564.db2.gz OKQJFUYADUWMJR-UKRRQHHQSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454056 491677565 /nfs/dbraw/zinc/67/75/65/491677565.db2.gz OKQJFUYADUWMJR-UKRRQHHQSA-N 2 2 366.849 0.079 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000578563347 491679907 /nfs/dbraw/zinc/67/99/07/491679907.db2.gz XCQYGDZMISBBGX-JKSUJKDBSA-N 2 2 361.490 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@@H](C[NH3+])C1 ZINC000578744246 491683404 /nfs/dbraw/zinc/68/34/04/491683404.db2.gz WZXSAMMAVOZADQ-FZKCQIBNSA-N 2 2 364.494 0.665 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@@H](C[NH3+])C1 ZINC000578744246 491683405 /nfs/dbraw/zinc/68/34/05/491683405.db2.gz WZXSAMMAVOZADQ-FZKCQIBNSA-N 2 2 364.494 0.665 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000579004671 491689044 /nfs/dbraw/zinc/68/90/44/491689044.db2.gz KXYZGZGCORCKJL-NPNMTCQASA-N 2 2 367.490 0.520 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000579004671 491689045 /nfs/dbraw/zinc/68/90/45/491689045.db2.gz KXYZGZGCORCKJL-NPNMTCQASA-N 2 2 367.490 0.520 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000579227882 491693454 /nfs/dbraw/zinc/69/34/54/491693454.db2.gz LJTWBAZBDMWLEY-LJQANCHMSA-N 3 2 359.518 0.690 20 0 FCADLP C[N@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000579227882 491693455 /nfs/dbraw/zinc/69/34/55/491693455.db2.gz LJTWBAZBDMWLEY-LJQANCHMSA-N 3 2 359.518 0.690 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254194 491694163 /nfs/dbraw/zinc/69/41/63/491694163.db2.gz AKLAGMKDFIASLN-GJZGRUSLSA-N 2 2 355.483 0.597 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254194 491694164 /nfs/dbraw/zinc/69/41/64/491694164.db2.gz AKLAGMKDFIASLN-GJZGRUSLSA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254194 491694165 /nfs/dbraw/zinc/69/41/65/491694165.db2.gz AKLAGMKDFIASLN-GJZGRUSLSA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000579254194 491694166 /nfs/dbraw/zinc/69/41/66/491694166.db2.gz AKLAGMKDFIASLN-GJZGRUSLSA-N 2 2 355.483 0.597 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C1(C[NH3+])CCOCC1 ZINC000579594019 491701121 /nfs/dbraw/zinc/70/11/21/491701121.db2.gz RNZPVMCZAAAURV-HOTGVXAUSA-N 2 2 367.469 0.546 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)C1(C[NH3+])CCOCC1 ZINC000579594019 491701122 /nfs/dbraw/zinc/70/11/22/491701122.db2.gz RNZPVMCZAAAURV-HOTGVXAUSA-N 2 2 367.469 0.546 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000584580656 491708313 /nfs/dbraw/zinc/70/83/13/491708313.db2.gz WELBCDOTCJAESG-JKSUJKDBSA-N 2 2 351.495 0.467 20 0 FCADLP CCN1C[C@H](NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000584584516 491708476 /nfs/dbraw/zinc/70/84/76/491708476.db2.gz BIQAFLAEBIESOI-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CCN1C[C@H](NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000584584516 491708478 /nfs/dbraw/zinc/70/84/78/491708478.db2.gz BIQAFLAEBIESOI-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579935484 491709677 /nfs/dbraw/zinc/70/96/77/491709677.db2.gz VQUKYBKQRJHFFV-CABCVRRESA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000579935484 491709679 /nfs/dbraw/zinc/70/96/79/491709679.db2.gz VQUKYBKQRJHFFV-CABCVRRESA-N 2 2 365.865 0.730 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000579952155 491710588 /nfs/dbraw/zinc/71/05/88/491710588.db2.gz RAABXVAYBUYASC-KRWDZBQOSA-N 2 2 370.457 0.969 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000584771224 491713644 /nfs/dbraw/zinc/71/36/44/491713644.db2.gz ALXMOIIICCIYER-INIZCTEOSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000584771224 491713645 /nfs/dbraw/zinc/71/36/45/491713645.db2.gz ALXMOIIICCIYER-INIZCTEOSA-N 2 2 358.486 0.835 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000580070899 491716015 /nfs/dbraw/zinc/71/60/15/491716015.db2.gz FFMFYMBHSAWYRC-CJNGLKHVSA-N 2 2 365.430 0.285 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000580070899 491716016 /nfs/dbraw/zinc/71/60/16/491716016.db2.gz FFMFYMBHSAWYRC-CJNGLKHVSA-N 2 2 365.430 0.285 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000660573848 493362060 /nfs/dbraw/zinc/36/20/60/493362060.db2.gz IAOCPMJSWMUFOV-UHFFFAOYSA-N 2 2 372.477 0.944 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000660573848 493362062 /nfs/dbraw/zinc/36/20/62/493362062.db2.gz IAOCPMJSWMUFOV-UHFFFAOYSA-N 2 2 372.477 0.944 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000580332889 491726563 /nfs/dbraw/zinc/72/65/63/491726563.db2.gz HAVGSXIVIOYXTQ-HXUWFJFHSA-N 2 2 369.469 1.085 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000580357454 491727854 /nfs/dbraw/zinc/72/78/54/491727854.db2.gz GWFCKFWUMHCCFG-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000580532829 491734629 /nfs/dbraw/zinc/73/46/29/491734629.db2.gz IUNXSILVXGYVJQ-MSOLQXFVSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000580532829 491734631 /nfs/dbraw/zinc/73/46/31/491734631.db2.gz IUNXSILVXGYVJQ-MSOLQXFVSA-N 2 2 373.501 0.504 20 0 FCADLP CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798990 493362959 /nfs/dbraw/zinc/36/29/59/493362959.db2.gz ZVTUQLPNDZALHV-MJGOQNOKSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798990 493362962 /nfs/dbraw/zinc/36/29/62/493362962.db2.gz ZVTUQLPNDZALHV-MJGOQNOKSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000580602354 491738362 /nfs/dbraw/zinc/73/83/62/491738362.db2.gz GPLPORJKDAGHSW-RDJZCZTQSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000580602354 491738363 /nfs/dbraw/zinc/73/83/63/491738363.db2.gz GPLPORJKDAGHSW-RDJZCZTQSA-N 2 2 364.490 0.076 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000580632250 491739420 /nfs/dbraw/zinc/73/94/20/491739420.db2.gz ZHKHXHQWCZOWLI-OAHLLOKOSA-N 2 2 351.495 0.230 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000580714718 491742552 /nfs/dbraw/zinc/74/25/52/491742552.db2.gz GTERVZQDMZQLND-LSDHHAIUSA-N 2 2 357.458 0.832 20 0 FCADLP CSCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236335 491742712 /nfs/dbraw/zinc/74/27/12/491742712.db2.gz CTDRWPWXBDQMJF-OAHLLOKOSA-N 2 2 370.563 0.921 20 0 FCADLP CSCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236335 491742714 /nfs/dbraw/zinc/74/27/14/491742714.db2.gz CTDRWPWXBDQMJF-OAHLLOKOSA-N 2 2 370.563 0.921 20 0 FCADLP CS[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588775224 491748974 /nfs/dbraw/zinc/74/89/74/491748974.db2.gz RJSMUMFMQWKKLL-HIFRSBDPSA-N 2 2 356.536 0.481 20 0 FCADLP CS[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588775224 491748976 /nfs/dbraw/zinc/74/89/76/491748976.db2.gz RJSMUMFMQWKKLL-HIFRSBDPSA-N 2 2 356.536 0.481 20 0 FCADLP CS[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588775225 491749139 /nfs/dbraw/zinc/74/91/39/491749139.db2.gz RJSMUMFMQWKKLL-UKRRQHHQSA-N 2 2 356.536 0.481 20 0 FCADLP CS[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588775225 491749140 /nfs/dbraw/zinc/74/91/40/491749140.db2.gz RJSMUMFMQWKKLL-UKRRQHHQSA-N 2 2 356.536 0.481 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000580934172 491752033 /nfs/dbraw/zinc/75/20/33/491752033.db2.gz FLYPVXBNCKBTJE-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000580934172 491752035 /nfs/dbraw/zinc/75/20/35/491752035.db2.gz FLYPVXBNCKBTJE-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000580942083 491752373 /nfs/dbraw/zinc/75/23/73/491752373.db2.gz CXJXSIKCYXRGOH-GOSISDBHSA-N 2 2 362.474 0.901 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000589087197 491755381 /nfs/dbraw/zinc/75/53/81/491755381.db2.gz LPOGGQLRTWZDFZ-OAHLLOKOSA-N 2 2 368.547 0.625 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000589087197 491755382 /nfs/dbraw/zinc/75/53/82/491755382.db2.gz LPOGGQLRTWZDFZ-OAHLLOKOSA-N 2 2 368.547 0.625 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000581014436 491755495 /nfs/dbraw/zinc/75/54/95/491755495.db2.gz VXOLRWJYHNMEIW-IBGZPJMESA-N 2 2 371.485 0.592 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000581075014 491758147 /nfs/dbraw/zinc/75/81/47/491758147.db2.gz UNDQYWFRVWAPPC-YJBOKZPZSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000581075014 491758149 /nfs/dbraw/zinc/75/81/49/491758149.db2.gz UNDQYWFRVWAPPC-YJBOKZPZSA-N 2 2 364.465 0.912 20 0 FCADLP COCC1(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000581277507 491766959 /nfs/dbraw/zinc/76/69/59/491766959.db2.gz KXHYWDWXDGOUDP-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP COCC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000581277507 491766961 /nfs/dbraw/zinc/76/69/61/491766961.db2.gz KXHYWDWXDGOUDP-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000581563347 491778108 /nfs/dbraw/zinc/77/81/08/491778108.db2.gz FRCUUHXKEMBCEQ-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000581715757 491783929 /nfs/dbraw/zinc/78/39/29/491783929.db2.gz UHUMYSLPGMVFHB-BZZMCLGOSA-N 2 2 362.474 0.896 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000581715757 491783930 /nfs/dbraw/zinc/78/39/30/491783930.db2.gz UHUMYSLPGMVFHB-BZZMCLGOSA-N 2 2 362.474 0.896 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)cc1 ZINC000581723754 491784209 /nfs/dbraw/zinc/78/42/09/491784209.db2.gz VVDJUEANUZDVJS-UHFFFAOYSA-N 2 2 372.473 0.984 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000590869281 491788119 /nfs/dbraw/zinc/78/81/19/491788119.db2.gz ODYADJOHZWDAJS-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000590869281 491788120 /nfs/dbraw/zinc/78/81/20/491788120.db2.gz ODYADJOHZWDAJS-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000582075725 491797126 /nfs/dbraw/zinc/79/71/26/491797126.db2.gz MNGZJXZIGCOPHH-ZIAGYGMSSA-N 2 2 368.522 0.637 20 0 FCADLP C[N@H+](CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CCCC1 ZINC000591416458 491805155 /nfs/dbraw/zinc/80/51/55/491805155.db2.gz YKAHRDLPYIQDFP-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP C[N@@H+](CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CCCC1 ZINC000591416458 491805156 /nfs/dbraw/zinc/80/51/56/491805156.db2.gz YKAHRDLPYIQDFP-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000582300290 491806398 /nfs/dbraw/zinc/80/63/98/491806398.db2.gz SNWQHGULRUVBBU-KRWDZBQOSA-N 2 2 369.469 0.787 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312369 491807005 /nfs/dbraw/zinc/80/70/05/491807005.db2.gz VXDFXUJQURXNDO-STQMWFEESA-N 2 2 373.482 0.199 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4s3)CCN2C1=O ZINC000582312369 491807006 /nfs/dbraw/zinc/80/70/06/491807006.db2.gz VXDFXUJQURXNDO-STQMWFEESA-N 2 2 373.482 0.199 20 0 FCADLP [NH3+]C[C@H](C[NH+]1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000582363262 491809260 /nfs/dbraw/zinc/80/92/60/491809260.db2.gz OSUAKCPYRIEECY-QGZVFWFLSA-N 2 2 364.465 0.344 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000582434562 491812667 /nfs/dbraw/zinc/81/26/67/491812667.db2.gz BJUKKUBNJBVNLR-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000582434562 491812668 /nfs/dbraw/zinc/81/26/68/491812668.db2.gz BJUKKUBNJBVNLR-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000582434562 491812670 /nfs/dbraw/zinc/81/26/70/491812670.db2.gz BJUKKUBNJBVNLR-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000582434562 491812672 /nfs/dbraw/zinc/81/26/72/491812672.db2.gz BJUKKUBNJBVNLR-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3cn4ccccc4[nH+]3)CC2)C1=O ZINC000582442091 491812781 /nfs/dbraw/zinc/81/27/81/491812781.db2.gz FSPNTESFZFDPOG-MRXNPFEDSA-N 2 2 355.442 0.688 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000582554246 491817646 /nfs/dbraw/zinc/81/76/46/491817646.db2.gz HCQQSVWWPFCAIW-CYBMUJFWSA-N 2 2 350.444 0.936 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000582554246 491817648 /nfs/dbraw/zinc/81/76/48/491817648.db2.gz HCQQSVWWPFCAIW-CYBMUJFWSA-N 2 2 350.444 0.936 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCC1 ZINC000582791481 491827110 /nfs/dbraw/zinc/82/71/10/491827110.db2.gz MBCNEXCNLJCBJX-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCC1 ZINC000582791481 491827112 /nfs/dbraw/zinc/82/71/12/491827112.db2.gz MBCNEXCNLJCBJX-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H]3CC[N@H+](C)[C@@H]3C1)C2 ZINC000582950450 491833437 /nfs/dbraw/zinc/83/34/37/491833437.db2.gz WAVOIVYWMKIBAL-XJKSGUPXSA-N 2 2 359.474 0.591 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H]3CC[N@@H+](C)[C@@H]3C1)C2 ZINC000582950450 491833439 /nfs/dbraw/zinc/83/34/39/491833439.db2.gz WAVOIVYWMKIBAL-XJKSGUPXSA-N 2 2 359.474 0.591 20 0 FCADLP C[NH2+]CCc1ccccc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000582968237 491834499 /nfs/dbraw/zinc/83/44/99/491834499.db2.gz PGJCKFXIPIGUMQ-UHFFFAOYSA-N 2 2 357.458 1.230 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000583143959 491839004 /nfs/dbraw/zinc/83/90/04/491839004.db2.gz YWMPLNSFTSIWSZ-UHFFFAOYSA-N 2 2 358.486 0.789 20 0 FCADLP CC(=O)NCC[NH+](C)Cc1cc(C[N@H+](C)CCNC(C)=O)ccc1F ZINC000583438855 491844923 /nfs/dbraw/zinc/84/49/23/491844923.db2.gz KLRYKYNLEJSIAS-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP CC(=O)NCC[NH+](C)Cc1cc(C[N@@H+](C)CCNC(C)=O)ccc1F ZINC000583438855 491844924 /nfs/dbraw/zinc/84/49/24/491844924.db2.gz KLRYKYNLEJSIAS-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP CC(=O)NCC[NH+](C)Cc1ccc(F)c(C[N@H+](C)CCNC(C)=O)c1 ZINC000583438855 491844925 /nfs/dbraw/zinc/84/49/25/491844925.db2.gz KLRYKYNLEJSIAS-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP CC(=O)NCC[NH+](C)Cc1ccc(F)c(C[N@@H+](C)CCNC(C)=O)c1 ZINC000583438855 491844926 /nfs/dbraw/zinc/84/49/26/491844926.db2.gz KLRYKYNLEJSIAS-UHFFFAOYSA-N 2 2 352.454 0.962 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000583802200 491852209 /nfs/dbraw/zinc/85/22/09/491852209.db2.gz BVTFGGXERJPYJW-QPSCCSFWSA-N 2 2 352.458 0.630 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583870957 491853722 /nfs/dbraw/zinc/85/37/22/491853722.db2.gz BZTHPJBQBLXQRS-IYBDPMFKSA-N 2 2 357.458 0.188 20 0 FCADLP COc1cc(OC)cc(OCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000584340854 491863301 /nfs/dbraw/zinc/86/33/01/491863301.db2.gz RBVCVGIDJZJFMS-CYBMUJFWSA-N 2 2 352.435 0.367 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876298 491869837 /nfs/dbraw/zinc/86/98/37/491869837.db2.gz QHLCXVXTAIWGRM-GLQYFDAESA-N 2 2 366.824 0.828 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876298 491869838 /nfs/dbraw/zinc/86/98/38/491869838.db2.gz QHLCXVXTAIWGRM-GLQYFDAESA-N 2 2 366.824 0.828 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cnc2c1ncnc2N ZINC000611975020 491887457 /nfs/dbraw/zinc/88/74/57/491887457.db2.gz VUVYZIOMSFAJTO-GFCCVEGCSA-N 2 2 360.466 0.112 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000611985717 491888024 /nfs/dbraw/zinc/88/80/24/491888024.db2.gz CGBRZZDOQLXZMW-KRWDZBQOSA-N 2 2 360.458 0.684 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442911 491918415 /nfs/dbraw/zinc/91/84/15/491918415.db2.gz CCYYLEHNJMKVEG-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442911 491918416 /nfs/dbraw/zinc/91/84/16/491918416.db2.gz CCYYLEHNJMKVEG-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612442911 491918417 /nfs/dbraw/zinc/91/84/17/491918417.db2.gz CCYYLEHNJMKVEG-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612442911 491918418 /nfs/dbraw/zinc/91/84/18/491918418.db2.gz CCYYLEHNJMKVEG-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454349 491919973 /nfs/dbraw/zinc/91/99/73/491919973.db2.gz SMVFPRRIQJAXJT-IAGOWNOFSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454349 491919975 /nfs/dbraw/zinc/91/99/75/491919975.db2.gz SMVFPRRIQJAXJT-IAGOWNOFSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000612484544 491924301 /nfs/dbraw/zinc/92/43/01/491924301.db2.gz GWDIVDMYQVBOKJ-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000612484544 491924302 /nfs/dbraw/zinc/92/43/02/491924302.db2.gz GWDIVDMYQVBOKJ-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000612484347 491924437 /nfs/dbraw/zinc/92/44/37/491924437.db2.gz ASPDBTARQLGFEU-JKSUJKDBSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000612486480 491925105 /nfs/dbraw/zinc/92/51/05/491925105.db2.gz RWZROZQXJGMGDN-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000612486480 491925107 /nfs/dbraw/zinc/92/51/07/491925107.db2.gz RWZROZQXJGMGDN-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975224 491960741 /nfs/dbraw/zinc/96/07/41/491960741.db2.gz CPTRBARWBJEXOY-CVEARBPZSA-N 2 2 363.506 0.467 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975238 491960754 /nfs/dbraw/zinc/96/07/54/491960754.db2.gz CPTRBARWBJEXOY-JKSUJKDBSA-N 2 2 363.506 0.467 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612976805 491960787 /nfs/dbraw/zinc/96/07/87/491960787.db2.gz ZZLRWSAXXBZBML-OAHLLOKOSA-N 2 2 351.495 0.324 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203560 491967842 /nfs/dbraw/zinc/96/78/42/491967842.db2.gz XPVOZHLIGWBZQR-HOCLYGCPSA-N 2 2 372.535 0.085 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203560 491967844 /nfs/dbraw/zinc/96/78/44/491967844.db2.gz XPVOZHLIGWBZQR-HOCLYGCPSA-N 2 2 372.535 0.085 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)CC1 ZINC000602202324 491968306 /nfs/dbraw/zinc/96/83/06/491968306.db2.gz YHGONPPILNYMTQ-AWEZNQCLSA-N 2 2 358.442 0.916 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)CC1 ZINC000602202324 491968308 /nfs/dbraw/zinc/96/83/08/491968308.db2.gz YHGONPPILNYMTQ-AWEZNQCLSA-N 2 2 358.442 0.916 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)C3CCCCC3)C2)CC1 ZINC000602330605 491979625 /nfs/dbraw/zinc/97/96/25/491979625.db2.gz MLDUPHYANXPYCA-MRXNPFEDSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)C3CCCCC3)C2)CC1 ZINC000602330605 491979628 /nfs/dbraw/zinc/97/96/28/491979628.db2.gz MLDUPHYANXPYCA-MRXNPFEDSA-N 2 2 350.507 0.968 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)C2)CC1 ZINC000602372803 491982025 /nfs/dbraw/zinc/98/20/25/491982025.db2.gz PABLHTMQXUCXEK-DLBZAZTESA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)C2)CC1 ZINC000602372803 491982026 /nfs/dbraw/zinc/98/20/26/491982026.db2.gz PABLHTMQXUCXEK-DLBZAZTESA-N 2 2 353.511 0.127 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602465885 491987545 /nfs/dbraw/zinc/98/75/45/491987545.db2.gz RUOSHTYULGKHNL-INIZCTEOSA-N 2 2 352.504 0.546 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000602465885 491987548 /nfs/dbraw/zinc/98/75/48/491987548.db2.gz RUOSHTYULGKHNL-INIZCTEOSA-N 2 2 352.504 0.546 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000602486070 491989185 /nfs/dbraw/zinc/98/91/85/491989185.db2.gz SCMWDPATNOHJIE-IEBWSBKVSA-N 2 2 362.522 0.915 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000602486070 491989187 /nfs/dbraw/zinc/98/91/87/491989187.db2.gz SCMWDPATNOHJIE-IEBWSBKVSA-N 2 2 362.522 0.915 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)c2cccc(C(=O)NC3C[NH+](C(C)C)C3)c2N)C1 ZINC000613654658 491990360 /nfs/dbraw/zinc/99/03/60/491990360.db2.gz DGYLFCZCTCPOLW-UHFFFAOYSA-N 2 2 373.501 0.914 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000602514678 491990868 /nfs/dbraw/zinc/99/08/68/491990868.db2.gz UMKKHOFEBYAJIR-PBHICJAKSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000602514678 491990869 /nfs/dbraw/zinc/99/08/69/491990869.db2.gz UMKKHOFEBYAJIR-PBHICJAKSA-N 2 2 363.458 0.661 20 0 FCADLP CO[C@@](C)(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000597344142 492031656 /nfs/dbraw/zinc/03/16/56/492031656.db2.gz IKQREZFEBDNHRJ-SFHVURJKSA-N 2 2 357.495 0.875 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000603594310 492038437 /nfs/dbraw/zinc/03/84/37/492038437.db2.gz MSDVBWRZWVUNOP-UHFFFAOYSA-N 2 2 350.467 0.348 20 0 FCADLP CC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604193964 492053465 /nfs/dbraw/zinc/05/34/65/492053465.db2.gz MKRAKFYXXKLTAB-KRWDZBQOSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604193964 492053467 /nfs/dbraw/zinc/05/34/67/492053467.db2.gz MKRAKFYXXKLTAB-KRWDZBQOSA-N 2 2 365.522 0.713 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC000615090477 492072012 /nfs/dbraw/zinc/07/20/12/492072012.db2.gz CALRGARQFJNXHB-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1 ZINC000615090477 492072013 /nfs/dbraw/zinc/07/20/13/492072013.db2.gz CALRGARQFJNXHB-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000615090477 492072015 /nfs/dbraw/zinc/07/20/15/492072015.db2.gz CALRGARQFJNXHB-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000615090477 492072017 /nfs/dbraw/zinc/07/20/17/492072017.db2.gz CALRGARQFJNXHB-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP c1ccc(C[N@@H+]2CCO[C@@H](c3nnn(CCC[NH+]4CCOCC4)n3)C2)cc1 ZINC000604931976 492077936 /nfs/dbraw/zinc/07/79/36/492077936.db2.gz OPDCIEJWWMZRHH-GOSISDBHSA-N 2 2 372.473 0.969 20 0 FCADLP c1ccc(C[N@H+]2CCO[C@@H](c3nnn(CCC[NH+]4CCOCC4)n3)C2)cc1 ZINC000604931976 492077939 /nfs/dbraw/zinc/07/79/39/492077939.db2.gz OPDCIEJWWMZRHH-GOSISDBHSA-N 2 2 372.473 0.969 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000616254384 492123148 /nfs/dbraw/zinc/12/31/48/492123148.db2.gz GHJITLZTOROFGB-AWEZNQCLSA-N 2 2 350.463 0.629 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000616254384 492123150 /nfs/dbraw/zinc/12/31/50/492123150.db2.gz GHJITLZTOROFGB-AWEZNQCLSA-N 2 2 350.463 0.629 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700956 492127365 /nfs/dbraw/zinc/12/73/65/492127365.db2.gz SXKXSSXINBCLMH-MRXNPFEDSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000606716488 492128313 /nfs/dbraw/zinc/12/83/13/492128313.db2.gz SOLKKRBGCFGZBK-HNNXBMFYSA-N 2 2 350.467 0.205 20 0 FCADLP C[C@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000607154182 492139616 /nfs/dbraw/zinc/13/96/16/492139616.db2.gz CKKCUHPKHRSEIS-KBPBESRZSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000607154182 492139618 /nfs/dbraw/zinc/13/96/18/492139618.db2.gz CKKCUHPKHRSEIS-KBPBESRZSA-N 2 2 357.462 0.742 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013272 492162370 /nfs/dbraw/zinc/16/23/70/492162370.db2.gz ZXIINZWYGVMGJA-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013272 492162371 /nfs/dbraw/zinc/16/23/71/492162371.db2.gz ZXIINZWYGVMGJA-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691405 492187275 /nfs/dbraw/zinc/18/72/75/492187275.db2.gz QGCXHFCHBALDNS-LSDHHAIUSA-N 2 2 362.478 0.886 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691405 492187277 /nfs/dbraw/zinc/18/72/77/492187277.db2.gz QGCXHFCHBALDNS-LSDHHAIUSA-N 2 2 362.478 0.886 20 0 FCADLP CN(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000617767930 492190626 /nfs/dbraw/zinc/19/06/26/492190626.db2.gz IQBFAKITBVJORV-UHFFFAOYSA-N 2 2 370.519 0.307 20 0 FCADLP CN(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000617767930 492190628 /nfs/dbraw/zinc/19/06/28/492190628.db2.gz IQBFAKITBVJORV-UHFFFAOYSA-N 2 2 370.519 0.307 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000611588399 492290642 /nfs/dbraw/zinc/29/06/42/492290642.db2.gz CBCABNVJQXRBSP-ZDUSSCGKSA-N 2 2 350.419 0.702 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000611588399 492290643 /nfs/dbraw/zinc/29/06/43/492290643.db2.gz CBCABNVJQXRBSP-ZDUSSCGKSA-N 2 2 350.419 0.702 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](CO)Cc3cnn(C)c3)c2cc1C ZINC000647537536 492303242 /nfs/dbraw/zinc/30/32/42/492303242.db2.gz MDJQQMZMCGMUBO-SJORKVTESA-N 2 2 357.458 0.941 20 0 FCADLP Cn1nnc2c1CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445698 492304860 /nfs/dbraw/zinc/30/48/60/492304860.db2.gz YPPHHHWKPOFICW-KBPBESRZSA-N 2 2 361.494 0.140 20 0 FCADLP Cn1nnc2c1CC[C@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000654445698 492304863 /nfs/dbraw/zinc/30/48/63/492304863.db2.gz YPPHHHWKPOFICW-KBPBESRZSA-N 2 2 361.494 0.140 20 0 FCADLP c1cnc(N2CCC([NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)CC2)cn1 ZINC000641785571 492305306 /nfs/dbraw/zinc/30/53/06/492305306.db2.gz CCWQENDLDBKABW-IBGZPJMESA-N 2 2 374.533 0.832 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476157 492314035 /nfs/dbraw/zinc/31/40/35/492314035.db2.gz BKSZDVRWYHSOSF-NJAFHUGGSA-N 2 2 358.486 0.628 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476157 492314038 /nfs/dbraw/zinc/31/40/38/492314038.db2.gz BKSZDVRWYHSOSF-NJAFHUGGSA-N 2 2 358.486 0.628 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOCC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568752 492317882 /nfs/dbraw/zinc/31/78/82/492317882.db2.gz SMPFXZUFFJGMGM-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOCC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568752 492317885 /nfs/dbraw/zinc/31/78/85/492317885.db2.gz SMPFXZUFFJGMGM-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194855 492326046 /nfs/dbraw/zinc/32/60/46/492326046.db2.gz WZXSFDBCTHUBDO-GFCCVEGCSA-N 2 2 355.464 0.100 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CN3CCCC[C@@H](O)C3=O)c2)CC1 ZINC000634194836 492326202 /nfs/dbraw/zinc/32/62/02/492326202.db2.gz QXXUHEVUAJXXFL-OAHLLOKOSA-N 2 2 361.446 0.145 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cn3nc4n(c3=O)CCCC4)c2)CC1 ZINC000634195228 492326393 /nfs/dbraw/zinc/32/63/93/492326393.db2.gz WTWXMKKJSCCHJD-UHFFFAOYSA-N 2 2 371.445 0.167 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642079096 492331711 /nfs/dbraw/zinc/33/17/11/492331711.db2.gz LSVAYBQGAGRJQZ-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642079096 492331715 /nfs/dbraw/zinc/33/17/15/492331715.db2.gz LSVAYBQGAGRJQZ-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655703 492335228 /nfs/dbraw/zinc/33/52/28/492335228.db2.gz UXJPQATUAPIORT-NRKLIOEPSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+]2CCO[C@H]1C2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655703 492335231 /nfs/dbraw/zinc/33/52/31/492335231.db2.gz UXJPQATUAPIORT-NRKLIOEPSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655703 492335235 /nfs/dbraw/zinc/33/52/35/492335235.db2.gz UXJPQATUAPIORT-NRKLIOEPSA-N 2 2 354.495 0.599 20 0 FCADLP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655703 492335237 /nfs/dbraw/zinc/33/52/37/492335237.db2.gz UXJPQATUAPIORT-NRKLIOEPSA-N 2 2 354.495 0.599 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731851 492343928 /nfs/dbraw/zinc/34/39/28/492343928.db2.gz NZBVWDXEQPFFAV-DLBZAZTESA-N 2 2 354.495 0.339 20 0 FCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731851 492343932 /nfs/dbraw/zinc/34/39/32/492343932.db2.gz NZBVWDXEQPFFAV-DLBZAZTESA-N 2 2 354.495 0.339 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000654788174 492352107 /nfs/dbraw/zinc/35/21/07/492352107.db2.gz RZRCZENUFOJVIX-AWEZNQCLSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000642337455 492352906 /nfs/dbraw/zinc/35/29/06/492352906.db2.gz JFYHVMMOOZXICS-QBPKDAKJSA-N 2 2 366.506 0.332 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000642394777 492357231 /nfs/dbraw/zinc/35/72/31/492357231.db2.gz XTFFFEUKOWYZJA-HRCADAONSA-N 2 2 368.522 0.447 20 0 FCADLP O=C(C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000634640920 492357914 /nfs/dbraw/zinc/35/79/14/492357914.db2.gz JJEADMMAMDPAQV-OAQYLSRUSA-N 2 2 372.513 0.520 20 0 FCADLP O=C(C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000634640920 492357918 /nfs/dbraw/zinc/35/79/18/492357918.db2.gz JJEADMMAMDPAQV-OAQYLSRUSA-N 2 2 372.513 0.520 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642519117 492360590 /nfs/dbraw/zinc/36/05/90/492360590.db2.gz CFLLPOVOEVJHBK-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642519162 492360641 /nfs/dbraw/zinc/36/06/41/492360641.db2.gz UBQXJCUPMSALPC-IRXDYDNUSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642519158 492360795 /nfs/dbraw/zinc/36/07/95/492360795.db2.gz SXFWVBMYRWAMQA-HZPDHXFCSA-N 2 2 357.458 0.508 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634705223 492361848 /nfs/dbraw/zinc/36/18/48/492361848.db2.gz WSSNCDPUWXDDAC-FQEVSTJZSA-N 3 2 360.502 0.377 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634705223 492361850 /nfs/dbraw/zinc/36/18/50/492361850.db2.gz WSSNCDPUWXDDAC-FQEVSTJZSA-N 3 2 360.502 0.377 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634705224 492362251 /nfs/dbraw/zinc/36/22/51/492362251.db2.gz WSSNCDPUWXDDAC-HXUWFJFHSA-N 3 2 360.502 0.377 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634705224 492362257 /nfs/dbraw/zinc/36/22/57/492362257.db2.gz WSSNCDPUWXDDAC-HXUWFJFHSA-N 3 2 360.502 0.377 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)[nH+]c12 ZINC000642638827 492368084 /nfs/dbraw/zinc/36/80/84/492368084.db2.gz HPKKBKFVQVULHB-ZFWWWQNUSA-N 2 2 357.458 0.745 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)[nH+]c12 ZINC000642638961 492368297 /nfs/dbraw/zinc/36/82/97/492368297.db2.gz ZBELNJOQFOXEDC-HNNXBMFYSA-N 2 2 357.458 0.889 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)[nH+]c12 ZINC000642638824 492368312 /nfs/dbraw/zinc/36/83/12/492368312.db2.gz HPKKBKFVQVULHB-DZGCQCFKSA-N 2 2 357.458 0.745 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000647835203 492368459 /nfs/dbraw/zinc/36/84/59/492368459.db2.gz QVYMQMMIKHUVNK-UHFFFAOYSA-N 2 2 359.474 0.589 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000647835203 492368462 /nfs/dbraw/zinc/36/84/62/492368462.db2.gz QVYMQMMIKHUVNK-UHFFFAOYSA-N 2 2 359.474 0.589 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000647829766 492368725 /nfs/dbraw/zinc/36/87/25/492368725.db2.gz VLRSFKPJYNQGIT-UONOGXRCSA-N 2 2 368.503 0.981 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000647829766 492368729 /nfs/dbraw/zinc/36/87/29/492368729.db2.gz VLRSFKPJYNQGIT-UONOGXRCSA-N 2 2 368.503 0.981 20 0 FCADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647850195 492370888 /nfs/dbraw/zinc/37/08/88/492370888.db2.gz YZEAEYWZUPSCCZ-UHFFFAOYSA-N 2 2 356.492 0.936 20 0 FCADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647850195 492370893 /nfs/dbraw/zinc/37/08/93/492370893.db2.gz YZEAEYWZUPSCCZ-UHFFFAOYSA-N 2 2 356.492 0.936 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[NH2+]1 ZINC000642687127 492373270 /nfs/dbraw/zinc/37/32/70/492373270.db2.gz NXGBIQRYHVEGEZ-MRXNPFEDSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863915 492373581 /nfs/dbraw/zinc/37/35/81/492373581.db2.gz MYZDPVDLGQQUSE-IINYFYTJSA-N 2 2 354.838 0.816 20 0 FCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863915 492373587 /nfs/dbraw/zinc/37/35/87/492373587.db2.gz MYZDPVDLGQQUSE-IINYFYTJSA-N 2 2 354.838 0.816 20 0 FCADLP Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000647869533 492373960 /nfs/dbraw/zinc/37/39/60/492373960.db2.gz MYRKKBOYZKAEQZ-UHFFFAOYSA-N 2 2 366.531 0.515 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642708541 492376725 /nfs/dbraw/zinc/37/67/25/492376725.db2.gz YKDRLUYQSIFKBD-ZWKOTPCHSA-N 2 2 367.453 0.758 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000621441748 492383521 /nfs/dbraw/zinc/38/35/21/492383521.db2.gz CQJYFGOULCKQPP-QFBILLFUSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@@H](O)C1 ZINC000621441748 492383527 /nfs/dbraw/zinc/38/35/27/492383527.db2.gz CQJYFGOULCKQPP-QFBILLFUSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926625 492383572 /nfs/dbraw/zinc/38/35/72/492383572.db2.gz HBADJDUFBQWZIC-CYBMUJFWSA-N 2 2 368.503 0.194 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000647957362 492386945 /nfs/dbraw/zinc/38/69/45/492386945.db2.gz NKPNLOYLQROGLS-GUDVDZBRSA-N 2 2 368.566 0.810 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000647957362 492386948 /nfs/dbraw/zinc/38/69/48/492386948.db2.gz NKPNLOYLQROGLS-GUDVDZBRSA-N 2 2 368.566 0.810 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(=O)[nH]c1=O ZINC000647966010 492388213 /nfs/dbraw/zinc/38/82/13/492388213.db2.gz JZXJXEGXYKZTKJ-UHFFFAOYSA-N 2 2 365.478 0.965 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(=O)[nH]c1=O ZINC000647966010 492388216 /nfs/dbraw/zinc/38/82/16/492388216.db2.gz JZXJXEGXYKZTKJ-UHFFFAOYSA-N 2 2 365.478 0.965 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647976816 492390728 /nfs/dbraw/zinc/39/07/28/492390728.db2.gz UOZVEZVUEXBLAL-IXDOHACOSA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647976816 492390730 /nfs/dbraw/zinc/39/07/30/492390730.db2.gz UOZVEZVUEXBLAL-IXDOHACOSA-N 2 2 371.547 0.734 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000642789161 492392797 /nfs/dbraw/zinc/39/27/97/492392797.db2.gz TXRXLPXTGHCLBC-NOVWEMISSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000642789161 492392799 /nfs/dbraw/zinc/39/27/99/492392799.db2.gz TXRXLPXTGHCLBC-NOVWEMISSA-N 2 2 356.470 0.794 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642903234 492400072 /nfs/dbraw/zinc/40/00/72/492400072.db2.gz GATCVTKARBENRB-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000642905462 492400569 /nfs/dbraw/zinc/40/05/69/492400569.db2.gz NECAREFFNOXQKX-OAHLLOKOSA-N 2 2 350.488 0.651 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621646490 492400868 /nfs/dbraw/zinc/40/08/68/492400868.db2.gz XDIYZNMTTHVXTH-IAGOWNOFSA-N 2 2 368.522 0.452 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000621686868 492404292 /nfs/dbraw/zinc/40/42/92/492404292.db2.gz ZCPCTOGLDOJTIF-OXJNMPFZSA-N 2 2 371.485 0.850 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000642921720 492404820 /nfs/dbraw/zinc/40/48/20/492404820.db2.gz YEQROVGLBVAMPI-SJORKVTESA-N 2 2 360.458 0.126 20 0 FCADLP CC(C)([NH3+])CCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000648155468 492409656 /nfs/dbraw/zinc/40/96/56/492409656.db2.gz BNBRQFOQMMWEQX-UHFFFAOYSA-N 2 2 362.478 0.479 20 0 FCADLP CC(C)([NH3+])CCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000648155468 492409660 /nfs/dbraw/zinc/40/96/60/492409660.db2.gz BNBRQFOQMMWEQX-UHFFFAOYSA-N 2 2 362.478 0.479 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000642981350 492410356 /nfs/dbraw/zinc/41/03/56/492410356.db2.gz ZCYRFDAAIUUGME-KRWDZBQOSA-N 2 2 374.485 0.468 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621839001 492422051 /nfs/dbraw/zinc/42/20/51/492422051.db2.gz MGSDEHOWKYITFV-IFXJQAMLSA-N 2 2 355.442 0.801 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000643250830 492434679 /nfs/dbraw/zinc/43/46/79/492434679.db2.gz LCWDEGBXXFRSTD-SFHVURJKSA-N 2 2 372.469 0.987 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN2C1=O ZINC000643250830 492434682 /nfs/dbraw/zinc/43/46/82/492434682.db2.gz LCWDEGBXXFRSTD-SFHVURJKSA-N 2 2 372.469 0.987 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655443770 492442944 /nfs/dbraw/zinc/44/29/44/492442944.db2.gz YLBCJBWWHLTOII-KSSFIOAISA-N 2 2 355.446 0.402 20 0 FCADLP O=C(CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000655446599 492443127 /nfs/dbraw/zinc/44/31/27/492443127.db2.gz XQYXKOVICXIRPR-OXJNMPFZSA-N 2 2 371.485 0.626 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028572 492443563 /nfs/dbraw/zinc/44/35/63/492443563.db2.gz SEGJDXXBRUKOEZ-XHDPSFHLSA-N 2 2 373.379 0.744 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622028834 492443728 /nfs/dbraw/zinc/44/37/28/492443728.db2.gz WNLCXZYIAFJNKW-SYNHAJSKSA-N 2 2 371.485 0.627 20 0 FCADLP CCN1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000643383344 492444467 /nfs/dbraw/zinc/44/44/67/492444467.db2.gz SONXQZBMMJLYDR-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP CCN1CC[C@@H](NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1=O ZINC000643383344 492444469 /nfs/dbraw/zinc/44/44/69/492444469.db2.gz SONXQZBMMJLYDR-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000643397665 492447632 /nfs/dbraw/zinc/44/76/32/492447632.db2.gz HNCWOCFQLLPFGA-SJORKVTESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000643397665 492447635 /nfs/dbraw/zinc/44/76/35/492447635.db2.gz HNCWOCFQLLPFGA-SJORKVTESA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000643397682 492448182 /nfs/dbraw/zinc/44/81/82/492448182.db2.gz INUARRBAQOMLCN-LVQVYYBASA-N 2 2 350.507 0.774 20 0 FCADLP C[C@@H]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000643397682 492448185 /nfs/dbraw/zinc/44/81/85/492448185.db2.gz INUARRBAQOMLCN-LVQVYYBASA-N 2 2 350.507 0.774 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)ccc2[nH]c1=O ZINC000635454551 492450429 /nfs/dbraw/zinc/45/04/29/492450429.db2.gz YSVAPIFOEHGWLJ-AWEZNQCLSA-N 2 2 361.446 0.364 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc2[nH]c1=O ZINC000635454551 492450432 /nfs/dbraw/zinc/45/04/32/492450432.db2.gz YSVAPIFOEHGWLJ-AWEZNQCLSA-N 2 2 361.446 0.364 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421766 492455393 /nfs/dbraw/zinc/45/53/93/492455393.db2.gz IJFCYFMQORWTSG-FMKPAKJESA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421766 492455396 /nfs/dbraw/zinc/45/53/96/492455396.db2.gz IJFCYFMQORWTSG-FMKPAKJESA-N 2 2 368.547 0.624 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552414 492455482 /nfs/dbraw/zinc/45/54/82/492455482.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552414 492455483 /nfs/dbraw/zinc/45/54/83/492455483.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552414 492455484 /nfs/dbraw/zinc/45/54/84/492455484.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552414 492455486 /nfs/dbraw/zinc/45/54/86/492455486.db2.gz XXVNDVILUJYISE-SJLPKXTDSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000635551279 492468575 /nfs/dbraw/zinc/46/85/75/492468575.db2.gz KYLHGMGRNNGVOZ-INIZCTEOSA-N 3 2 352.523 0.630 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000635551279 492468577 /nfs/dbraw/zinc/46/85/77/492468577.db2.gz KYLHGMGRNNGVOZ-INIZCTEOSA-N 3 2 352.523 0.630 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550339 492468752 /nfs/dbraw/zinc/46/87/52/492468752.db2.gz UBBJQFAWSIJZMH-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550339 492468753 /nfs/dbraw/zinc/46/87/53/492468753.db2.gz UBBJQFAWSIJZMH-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643477096 492474532 /nfs/dbraw/zinc/47/45/32/492474532.db2.gz HIFSRYQRGJSCTN-PKOBYXMFSA-N 2 2 370.497 0.850 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1 ZINC000643478746 492475660 /nfs/dbraw/zinc/47/56/60/492475660.db2.gz ANTDFQSSZCNGLZ-QGZVFWFLSA-N 2 2 374.485 0.468 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643541211 492494196 /nfs/dbraw/zinc/49/41/96/492494196.db2.gz ZVRAAQIGJKMRCA-SOUVJXGZSA-N 2 2 363.462 0.531 20 0 FCADLP Nc1ncc2c(n1)C[NH+](C/C=C\C[N@H+]1CCc3cnc(N)nc3C1)CC2 ZINC000623291791 492538805 /nfs/dbraw/zinc/53/88/05/492538805.db2.gz SQZVBBQIGPUJJR-UPHRSURJSA-N 2 2 352.446 0.064 20 0 FCADLP Nc1ncc2c(n1)C[NH+](C/C=C\C[N@@H+]1CCc3cnc(N)nc3C1)CC2 ZINC000623291791 492538813 /nfs/dbraw/zinc/53/88/13/492538813.db2.gz SQZVBBQIGPUJJR-UPHRSURJSA-N 2 2 352.446 0.064 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000649342752 492540524 /nfs/dbraw/zinc/54/05/24/492540524.db2.gz MUSJVQAHVDVADX-UHFFFAOYSA-N 2 2 358.486 0.716 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(F)(F)[C@H](CO)C3)C2)CC1 ZINC000643717530 492540687 /nfs/dbraw/zinc/54/06/87/492540687.db2.gz QDRGJYHRHVZAGD-UONOGXRCSA-N 2 2 360.449 0.814 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(F)(F)[C@H](CO)C3)C2)CC1 ZINC000643717530 492540689 /nfs/dbraw/zinc/54/06/89/492540689.db2.gz QDRGJYHRHVZAGD-UONOGXRCSA-N 2 2 360.449 0.814 20 0 FCADLP COCC[C@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717576 492540980 /nfs/dbraw/zinc/54/09/80/492540980.db2.gz VXZQRBSHJHLMCV-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP COCC[C@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717576 492540983 /nfs/dbraw/zinc/54/09/83/492540983.db2.gz VXZQRBSHJHLMCV-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305463 492542359 /nfs/dbraw/zinc/54/23/59/492542359.db2.gz SFBJNJOAHTYJIA-BZUAXINKSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305463 492542365 /nfs/dbraw/zinc/54/23/65/492542365.db2.gz SFBJNJOAHTYJIA-BZUAXINKSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649352876 492546271 /nfs/dbraw/zinc/54/62/71/492546271.db2.gz RTCJPGYQQYICQD-GDBMZVCRSA-N 2 2 355.446 0.727 20 0 FCADLP CC[N@H+](C)C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151752 492557798 /nfs/dbraw/zinc/55/77/98/492557798.db2.gz GMDAXEKZTNIZCI-IAGOWNOFSA-N 2 2 360.462 0.559 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151752 492557802 /nfs/dbraw/zinc/55/78/02/492557802.db2.gz GMDAXEKZTNIZCI-IAGOWNOFSA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151752 492557807 /nfs/dbraw/zinc/55/78/07/492557807.db2.gz GMDAXEKZTNIZCI-IAGOWNOFSA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151752 492557809 /nfs/dbraw/zinc/55/78/09/492557809.db2.gz GMDAXEKZTNIZCI-IAGOWNOFSA-N 2 2 360.462 0.559 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485740 492559527 /nfs/dbraw/zinc/55/95/27/492559527.db2.gz ZBBRHHVWLQAJDD-IAGOWNOFSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485740 492559531 /nfs/dbraw/zinc/55/95/31/492559531.db2.gz ZBBRHHVWLQAJDD-IAGOWNOFSA-N 2 2 366.506 0.014 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000656295342 492574032 /nfs/dbraw/zinc/57/40/32/492574032.db2.gz IHXDNRKXPXJHOC-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP Cc1c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(=O)n(-c2ccccc2)n1C ZINC000623618213 492574378 /nfs/dbraw/zinc/57/43/78/492574378.db2.gz HVTFAJFQLBDLGQ-SFHVURJKSA-N 2 2 371.485 0.914 20 0 FCADLP Cc1c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(=O)n(-c2ccccc2)n1C ZINC000623618213 492574384 /nfs/dbraw/zinc/57/43/84/492574384.db2.gz HVTFAJFQLBDLGQ-SFHVURJKSA-N 2 2 371.485 0.914 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cn1 ZINC000636292817 492576794 /nfs/dbraw/zinc/57/67/94/492576794.db2.gz OGWPYBNVOQGGDE-UHFFFAOYSA-N 2 2 356.474 0.840 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000636316993 492580977 /nfs/dbraw/zinc/58/09/77/492580977.db2.gz FMWJOWYYXVOYMU-KRWDZBQOSA-N 2 2 359.474 0.278 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000636316993 492580981 /nfs/dbraw/zinc/58/09/81/492580981.db2.gz FMWJOWYYXVOYMU-KRWDZBQOSA-N 2 2 359.474 0.278 20 0 FCADLP CCC(CC)[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000636316877 492581378 /nfs/dbraw/zinc/58/13/78/492581378.db2.gz ADPUGSHPKNQKPT-GOSISDBHSA-N 2 2 368.522 0.356 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000623836363 492600889 /nfs/dbraw/zinc/60/08/89/492600889.db2.gz WVKOLSDFQCUSAX-HNNXBMFYSA-N 2 2 351.447 0.366 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1OC ZINC000623836363 492600893 /nfs/dbraw/zinc/60/08/93/492600893.db2.gz WVKOLSDFQCUSAX-HNNXBMFYSA-N 2 2 351.447 0.366 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656355521 492610370 /nfs/dbraw/zinc/61/03/70/492610370.db2.gz KZOIVLXATPQPDZ-HUUCEWRRSA-N 2 2 354.520 0.285 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656355521 492610371 /nfs/dbraw/zinc/61/03/71/492610371.db2.gz KZOIVLXATPQPDZ-HUUCEWRRSA-N 2 2 354.520 0.285 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656357755 492612008 /nfs/dbraw/zinc/61/20/08/492612008.db2.gz HCGHDDJIEBFOOY-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656357755 492612011 /nfs/dbraw/zinc/61/20/11/492612011.db2.gz HCGHDDJIEBFOOY-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656357752 492612018 /nfs/dbraw/zinc/61/20/18/492612018.db2.gz HCGHDDJIEBFOOY-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656357752 492612020 /nfs/dbraw/zinc/61/20/20/492612020.db2.gz HCGHDDJIEBFOOY-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000636575742 492627798 /nfs/dbraw/zinc/62/77/98/492627798.db2.gz KRVARFNZVNAWQD-UHFFFAOYSA-N 2 2 365.503 0.846 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629562277 492645313 /nfs/dbraw/zinc/64/53/13/492645313.db2.gz AFYNWOUDCFPSEE-OLZOCXBDSA-N 2 2 350.385 0.136 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629562277 492645314 /nfs/dbraw/zinc/64/53/14/492645314.db2.gz AFYNWOUDCFPSEE-OLZOCXBDSA-N 2 2 350.385 0.136 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C[C@@H](C)O1 ZINC000650601219 492653184 /nfs/dbraw/zinc/65/31/84/492653184.db2.gz FBCVYYXSXHRYRJ-IIAWOOMASA-N 2 2 354.495 0.335 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C[C@@H](C)O1 ZINC000650601219 492653186 /nfs/dbraw/zinc/65/31/86/492653186.db2.gz FBCVYYXSXHRYRJ-IIAWOOMASA-N 2 2 354.495 0.335 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C[C@H](C)O1 ZINC000650601221 492653447 /nfs/dbraw/zinc/65/34/47/492653447.db2.gz FBCVYYXSXHRYRJ-OFQRWUPVSA-N 2 2 354.495 0.335 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C[C@H](C)O1 ZINC000650601221 492653453 /nfs/dbraw/zinc/65/34/53/492653453.db2.gz FBCVYYXSXHRYRJ-OFQRWUPVSA-N 2 2 354.495 0.335 20 0 FCADLP CC[C@@]1(O)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707613 492668179 /nfs/dbraw/zinc/66/81/79/492668179.db2.gz PNXIGJLEXCFXGZ-HNAYVOBHSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@]1(O)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707613 492668183 /nfs/dbraw/zinc/66/81/83/492668183.db2.gz PNXIGJLEXCFXGZ-HNAYVOBHSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000644231541 492676498 /nfs/dbraw/zinc/67/64/98/492676498.db2.gz MQKPSPXJRQSMCY-TZNCUMHOSA-N 2 2 353.507 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@H](O)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000644231541 492676502 /nfs/dbraw/zinc/67/65/02/492676502.db2.gz MQKPSPXJRQSMCY-TZNCUMHOSA-N 2 2 353.507 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1CCO[C@H](CC)C1 ZINC000644231541 492676505 /nfs/dbraw/zinc/67/65/05/492676505.db2.gz MQKPSPXJRQSMCY-TZNCUMHOSA-N 2 2 353.507 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[NH+]1CCO[C@H](CC)C1 ZINC000644231541 492676509 /nfs/dbraw/zinc/67/65/09/492676509.db2.gz MQKPSPXJRQSMCY-TZNCUMHOSA-N 2 2 353.507 0.980 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)C2)CC1 ZINC000650877214 492679978 /nfs/dbraw/zinc/67/99/78/492679978.db2.gz PTSMZYXDGXIOGA-USXIJHARSA-N 2 2 366.506 0.743 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)C2)CC1 ZINC000650877214 492679980 /nfs/dbraw/zinc/67/99/80/492679980.db2.gz PTSMZYXDGXIOGA-USXIJHARSA-N 2 2 366.506 0.743 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)CC2)c1 ZINC000629812558 492684926 /nfs/dbraw/zinc/68/49/26/492684926.db2.gz POCGCDYNEVCBLA-MRXNPFEDSA-N 2 2 359.474 0.495 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000650970115 492689403 /nfs/dbraw/zinc/68/94/03/492689403.db2.gz NDMKMTKCBFZZIJ-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000650970115 492689409 /nfs/dbraw/zinc/68/94/09/492689409.db2.gz NDMKMTKCBFZZIJ-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)c(N2CCCC2)[nH+]1 ZINC000636775264 492690261 /nfs/dbraw/zinc/69/02/61/492690261.db2.gz NGLKLYVSOZPSNN-UHFFFAOYSA-N 2 2 356.430 0.988 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000636835981 492706844 /nfs/dbraw/zinc/70/68/44/492706844.db2.gz ZNOWVBSHESYOLB-UHFFFAOYSA-N 2 2 351.451 0.374 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000644371413 492727761 /nfs/dbraw/zinc/72/77/61/492727761.db2.gz ZXPDGMBTOXSRBG-UTSKFRMZSA-N 2 2 354.495 0.383 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000644371413 492727764 /nfs/dbraw/zinc/72/77/64/492727764.db2.gz ZXPDGMBTOXSRBG-UTSKFRMZSA-N 2 2 354.495 0.383 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(n4cnnn4)CCCCC3)C2)CC1 ZINC000651322207 492742390 /nfs/dbraw/zinc/74/23/90/492742390.db2.gz IJSYHYKKXSRKGV-HNNXBMFYSA-N 2 2 361.494 0.617 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(n4cnnn4)CCCCC3)C2)CC1 ZINC000651322207 492742392 /nfs/dbraw/zinc/74/23/92/492742392.db2.gz IJSYHYKKXSRKGV-HNNXBMFYSA-N 2 2 361.494 0.617 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644442825 492755279 /nfs/dbraw/zinc/75/52/79/492755279.db2.gz NBVGHNSXMGJEKE-TWMKSMIVSA-N 2 2 359.474 0.947 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644442825 492755284 /nfs/dbraw/zinc/75/52/84/492755284.db2.gz NBVGHNSXMGJEKE-TWMKSMIVSA-N 2 2 359.474 0.947 20 0 FCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000625409772 492776141 /nfs/dbraw/zinc/77/61/41/492776141.db2.gz MKUSUPOPYODCLJ-UHFFFAOYSA-N 2 2 370.538 0.480 20 0 FCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000625409772 492776146 /nfs/dbraw/zinc/77/61/46/492776146.db2.gz MKUSUPOPYODCLJ-UHFFFAOYSA-N 2 2 370.538 0.480 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCC(=O)N3CCOCC3)c2cc1C ZINC000644517295 492780143 /nfs/dbraw/zinc/78/01/43/492780143.db2.gz QGOBAKOQCUJYOG-INIZCTEOSA-N 2 2 360.458 0.853 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)C[C@@H](C)O1 ZINC000644519806 492781574 /nfs/dbraw/zinc/78/15/74/492781574.db2.gz VLLXESNEFNOBEX-GPMSIDNRSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)C[C@H](C)O1 ZINC000644519805 492781799 /nfs/dbraw/zinc/78/17/99/492781799.db2.gz VLLXESNEFNOBEX-FCEWJHQRSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccccc2Cn2cncn2)C[C@H](C)O1 ZINC000644519805 492781803 /nfs/dbraw/zinc/78/18/03/492781803.db2.gz VLLXESNEFNOBEX-FCEWJHQRSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528522 492782200 /nfs/dbraw/zinc/78/22/00/492782200.db2.gz GLYNVFHKXCNIIK-DLBZAZTESA-N 2 2 355.504 0.493 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528522 492782205 /nfs/dbraw/zinc/78/22/05/492782205.db2.gz GLYNVFHKXCNIIK-DLBZAZTESA-N 2 2 355.504 0.493 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644556247 492784606 /nfs/dbraw/zinc/78/46/06/492784606.db2.gz AAIGHCRQEZCNIG-SJORKVTESA-N 2 2 358.442 0.938 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556247 492784611 /nfs/dbraw/zinc/78/46/11/492784611.db2.gz AAIGHCRQEZCNIG-SJORKVTESA-N 2 2 358.442 0.938 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccc(F)cc1 ZINC000644569151 492785741 /nfs/dbraw/zinc/78/57/41/492785741.db2.gz PVGOEIRCZOTFQG-MSOLQXFVSA-N 2 2 367.465 0.562 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570481 492786073 /nfs/dbraw/zinc/78/60/73/492786073.db2.gz MHLXNOHPUWQYQB-ROUUACIJSA-N 2 2 357.458 0.608 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570481 492786078 /nfs/dbraw/zinc/78/60/78/492786078.db2.gz MHLXNOHPUWQYQB-ROUUACIJSA-N 2 2 357.458 0.608 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657741361 492786633 /nfs/dbraw/zinc/78/66/33/492786633.db2.gz KAAUMSZDQJZUFM-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657741359 492786854 /nfs/dbraw/zinc/78/68/54/492786854.db2.gz KAAUMSZDQJZUFM-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743923 492787338 /nfs/dbraw/zinc/78/73/38/492787338.db2.gz DOKZSWHUQMVNPQ-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743923 492787342 /nfs/dbraw/zinc/78/73/42/492787342.db2.gz DOKZSWHUQMVNPQ-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637371742 492811612 /nfs/dbraw/zinc/81/16/12/492811612.db2.gz GCEQSOQYQLADOP-INIZCTEOSA-N 2 2 365.522 0.985 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637371742 492811617 /nfs/dbraw/zinc/81/16/17/492811617.db2.gz GCEQSOQYQLADOP-INIZCTEOSA-N 2 2 365.522 0.985 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376792 492815537 /nfs/dbraw/zinc/81/55/37/492815537.db2.gz PIIOESQXYWVYDZ-INIZCTEOSA-N 2 2 369.510 0.078 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376792 492815539 /nfs/dbraw/zinc/81/55/39/492815539.db2.gz PIIOESQXYWVYDZ-INIZCTEOSA-N 2 2 369.510 0.078 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000644922565 492829549 /nfs/dbraw/zinc/82/95/49/492829549.db2.gz QRYFZQKEDRBDLR-UHFFFAOYSA-N 2 2 369.554 0.766 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccs1 ZINC000631655829 492830429 /nfs/dbraw/zinc/83/04/29/492830429.db2.gz IUOKBULREJHJJS-OAHLLOKOSA-N 2 2 374.576 0.908 20 0 FCADLP CCNC(=O)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000644941737 492831487 /nfs/dbraw/zinc/83/14/87/492831487.db2.gz AETIECZEJYGPTP-ZBFHGGJFSA-N 2 2 353.511 0.615 20 0 FCADLP CCNC(=O)[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000644941737 492831492 /nfs/dbraw/zinc/83/14/92/492831492.db2.gz AETIECZEJYGPTP-ZBFHGGJFSA-N 2 2 353.511 0.615 20 0 FCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637662262 492855917 /nfs/dbraw/zinc/85/59/17/492855917.db2.gz SQBPBLKQHGPPGK-INIZCTEOSA-N 2 2 350.467 0.944 20 0 FCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637662262 492855919 /nfs/dbraw/zinc/85/59/19/492855919.db2.gz SQBPBLKQHGPPGK-INIZCTEOSA-N 2 2 350.467 0.944 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680557 492858597 /nfs/dbraw/zinc/85/85/97/492858597.db2.gz ABBPKXMZTDIDJW-QGZVFWFLSA-N 2 2 367.519 0.747 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000631860379 492865883 /nfs/dbraw/zinc/86/58/83/492865883.db2.gz JYFRQPPJUFHRMJ-QAPCUYQASA-N 2 2 358.486 0.687 20 0 FCADLP Cc1cn2ccc(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cc2[nH+]1 ZINC000637814643 492869258 /nfs/dbraw/zinc/86/92/58/492869258.db2.gz LGZJHEBKIXULTJ-INIZCTEOSA-N 2 2 355.442 0.927 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCCN1CCCCCC1=O ZINC000631886848 492870678 /nfs/dbraw/zinc/87/06/78/492870678.db2.gz KEDRLIYOFCGOEI-IRXDYDNUSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCCN1CCCCCC1=O ZINC000631886848 492870679 /nfs/dbraw/zinc/87/06/79/492870679.db2.gz KEDRLIYOFCGOEI-IRXDYDNUSA-N 2 2 350.507 0.969 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000631913609 492879068 /nfs/dbraw/zinc/87/90/68/492879068.db2.gz FYJUSOWJCZBTDD-UHFFFAOYSA-N 2 2 358.533 0.624 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000631913609 492879072 /nfs/dbraw/zinc/87/90/72/492879072.db2.gz FYJUSOWJCZBTDD-UHFFFAOYSA-N 2 2 358.533 0.624 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000625842034 492893640 /nfs/dbraw/zinc/89/36/40/492893640.db2.gz NBULZMNSPFKUMM-CQSZACIVSA-N 2 2 361.446 0.184 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000638053784 492896127 /nfs/dbraw/zinc/89/61/27/492896127.db2.gz BRCGJIIQWKSSIJ-KBXCAEBGSA-N 2 2 374.485 0.376 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638063944 492898277 /nfs/dbraw/zinc/89/82/77/492898277.db2.gz YBAFCDRCCURINF-QAPCUYQASA-N 2 2 354.495 0.156 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638063944 492898280 /nfs/dbraw/zinc/89/82/80/492898280.db2.gz YBAFCDRCCURINF-QAPCUYQASA-N 2 2 354.495 0.156 20 0 FCADLP [NH3+]Cc1ccc(CNC(=O)N(CCO)CC[NH+]2CCOCC2)c(F)c1 ZINC000652275464 492903583 /nfs/dbraw/zinc/90/35/83/492903583.db2.gz NWNZYNZQTDRDNQ-UHFFFAOYSA-N 2 2 354.426 0.121 20 0 FCADLP O=c1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c[nH]1 ZINC000638102335 492905724 /nfs/dbraw/zinc/90/57/24/492905724.db2.gz TUHAVAIAISBWCE-UHFFFAOYSA-N 2 2 356.430 0.736 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000638112293 492909296 /nfs/dbraw/zinc/90/92/96/492909296.db2.gz XVYHHIIIPGOTSE-QGZVFWFLSA-N 2 2 359.430 0.862 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000638116760 492910139 /nfs/dbraw/zinc/91/01/39/492910139.db2.gz GFEPPELZUGLASE-FUHWJXTLSA-N 2 2 362.474 0.218 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000638116760 492910143 /nfs/dbraw/zinc/91/01/43/492910143.db2.gz GFEPPELZUGLASE-FUHWJXTLSA-N 2 2 362.474 0.218 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)c2cnc(C[NH3+])nc2)c2cccs2)CC1 ZINC000638134705 492914303 /nfs/dbraw/zinc/91/43/03/492914303.db2.gz OAVFOSJPXOJJGK-CQSZACIVSA-N 2 2 360.487 0.715 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000652359327 492916022 /nfs/dbraw/zinc/91/60/22/492916022.db2.gz DSBDXZLJBKEKQE-HOCLYGCPSA-N 2 2 359.536 0.861 20 0 FCADLP CCO[C@@H]1C[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000652357558 492916031 /nfs/dbraw/zinc/91/60/31/492916031.db2.gz XIQNMVWPVIMLRJ-IEBWSBKVSA-N 2 2 371.485 0.827 20 0 FCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000652357558 492916035 /nfs/dbraw/zinc/91/60/35/492916035.db2.gz XIQNMVWPVIMLRJ-IEBWSBKVSA-N 2 2 371.485 0.827 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626027261 492916778 /nfs/dbraw/zinc/91/67/78/492916778.db2.gz QGJRNNQBPFYVPU-GBESFXJTSA-N 2 2 361.486 0.483 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626027261 492916780 /nfs/dbraw/zinc/91/67/80/492916780.db2.gz QGJRNNQBPFYVPU-GBESFXJTSA-N 2 2 361.486 0.483 20 0 FCADLP C[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000638138240 492917173 /nfs/dbraw/zinc/91/71/73/492917173.db2.gz YQGINODNASGUQH-HNNXBMFYSA-N 2 2 354.458 0.876 20 0 FCADLP O=C1NC[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCN12 ZINC000638164707 492919706 /nfs/dbraw/zinc/91/97/06/492919706.db2.gz ITHKEMNBNSINFH-QGZVFWFLSA-N 2 2 360.458 0.607 20 0 FCADLP O=C1NC[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCN12 ZINC000638164707 492919709 /nfs/dbraw/zinc/91/97/09/492919709.db2.gz ITHKEMNBNSINFH-QGZVFWFLSA-N 2 2 360.458 0.607 20 0 FCADLP NS(=O)(=O)NC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000626035865 492921054 /nfs/dbraw/zinc/92/10/54/492921054.db2.gz FSPHYYTUZBZZBY-UHFFFAOYSA-N 2 2 368.503 0.276 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658515462 492922964 /nfs/dbraw/zinc/92/29/64/492922964.db2.gz CGBFDPFMFUIBJK-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)N1CC[NH2+]CC1=O ZINC000638296113 492929858 /nfs/dbraw/zinc/92/98/58/492929858.db2.gz GBLUPJRERKTHAM-UONOGXRCSA-N 2 2 350.488 0.774 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000632161218 492941338 /nfs/dbraw/zinc/94/13/38/492941338.db2.gz TYPVYICLTKZGII-CVEARBPZSA-N 2 2 358.552 0.368 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652528285 492962722 /nfs/dbraw/zinc/96/27/22/492962722.db2.gz RAZCRPMAAHYFSK-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652528285 492962725 /nfs/dbraw/zinc/96/27/25/492962725.db2.gz RAZCRPMAAHYFSK-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000652580839 492969548 /nfs/dbraw/zinc/96/95/48/492969548.db2.gz DAEPXNACVHREJV-UHFFFAOYSA-N 2 2 350.467 0.727 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000638747986 492975191 /nfs/dbraw/zinc/97/51/91/492975191.db2.gz FTQWZWRTXRVKMZ-UONOGXRCSA-N 2 2 359.517 0.863 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000638753306 492976706 /nfs/dbraw/zinc/97/67/06/492976706.db2.gz UYHICNAIAPTDHP-SFHVURJKSA-N 2 2 370.457 0.575 20 0 FCADLP COc1cc(C[C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000638871548 492983869 /nfs/dbraw/zinc/98/38/69/492983869.db2.gz MIRDXISTADXDIM-RDJZCZTQSA-N 2 2 362.474 0.544 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000652675716 492986112 /nfs/dbraw/zinc/98/61/12/492986112.db2.gz CPOPWGFAFZXFMR-UHFFFAOYSA-N 2 2 359.474 0.885 20 0 FCADLP COC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[NH2+]C1 ZINC000638991047 492991499 /nfs/dbraw/zinc/99/14/99/492991499.db2.gz VMTMVLSJWNQTKZ-QGZVFWFLSA-N 2 2 350.488 0.877 20 0 FCADLP O=C(CS(=O)(=O)C1CCCC1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988041 492991600 /nfs/dbraw/zinc/99/16/00/492991600.db2.gz RBLGRRNFORRYQT-UHFFFAOYSA-N 2 2 352.460 0.787 20 0 FCADLP [NH3+][C@H]1CC[C@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000639030939 492992854 /nfs/dbraw/zinc/99/28/54/492992854.db2.gz LBYKBDNMCFXHKX-WKILWMFISA-N 2 2 359.474 0.897 20 0 FCADLP Nc1nc(N)c(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000639160380 493000181 /nfs/dbraw/zinc/00/01/81/493000181.db2.gz CHKLVUXLGYZUME-SFHVURJKSA-N 2 2 367.501 0.694 20 0 FCADLP Nc1nc(N)c(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000639160380 493000185 /nfs/dbraw/zinc/00/01/85/493000185.db2.gz CHKLVUXLGYZUME-SFHVURJKSA-N 2 2 367.501 0.694 20 0 FCADLP [NH3+][C@@H](CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646020852 493002313 /nfs/dbraw/zinc/00/23/13/493002313.db2.gz CUYAHIFQLOHKAZ-MSOLQXFVSA-N 2 2 374.485 0.516 20 0 FCADLP [NH3+]Cc1nnnn1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000646077540 493010980 /nfs/dbraw/zinc/01/09/80/493010980.db2.gz UIGMWRJBOBIMGK-AWEZNQCLSA-N 2 2 363.853 0.739 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736957 493013626 /nfs/dbraw/zinc/01/36/26/493013626.db2.gz UZNUARCAQYMRMN-RTBURBONSA-N 2 2 372.513 0.959 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652736957 493013629 /nfs/dbraw/zinc/01/36/29/493013629.db2.gz UZNUARCAQYMRMN-RTBURBONSA-N 2 2 372.513 0.959 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000626845762 493032930 /nfs/dbraw/zinc/03/29/30/493032930.db2.gz HSXBTHFMDBGFIQ-GOSISDBHSA-N 2 2 374.485 0.914 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702176 493033387 /nfs/dbraw/zinc/03/33/87/493033387.db2.gz OEKGIQHEMDEMLV-WBVHZDCISA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702176 493033390 /nfs/dbraw/zinc/03/33/90/493033390.db2.gz OEKGIQHEMDEMLV-WBVHZDCISA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)ccn1 ZINC000639702176 493033395 /nfs/dbraw/zinc/03/33/95/493033395.db2.gz OEKGIQHEMDEMLV-WBVHZDCISA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)ccn1 ZINC000639702176 493033397 /nfs/dbraw/zinc/03/33/97/493033397.db2.gz OEKGIQHEMDEMLV-WBVHZDCISA-N 2 2 362.474 0.740 20 0 FCADLP CCCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000646275817 493036040 /nfs/dbraw/zinc/03/60/40/493036040.db2.gz MBYDPDIMIOJSBC-INIZCTEOSA-N 2 2 364.494 1.163 20 0 FCADLP CCCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000646275817 493036043 /nfs/dbraw/zinc/03/60/43/493036043.db2.gz MBYDPDIMIOJSBC-INIZCTEOSA-N 2 2 364.494 1.163 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000626878981 493045024 /nfs/dbraw/zinc/04/50/24/493045024.db2.gz CJLDZEJCVFCGSS-CQSZACIVSA-N 2 2 356.382 0.917 20 0 FCADLP Cc1nnc(CN2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)[nH]1 ZINC000639788989 493049232 /nfs/dbraw/zinc/04/92/32/493049232.db2.gz YPHRZTOMQZZSLS-UHFFFAOYSA-N 2 2 363.510 0.220 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+]1CCOCC1 ZINC000646460457 493051867 /nfs/dbraw/zinc/05/18/67/493051867.db2.gz HNHDNQUVCZSNCL-LJQANCHMSA-N 2 2 366.550 0.829 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000646460457 493051869 /nfs/dbraw/zinc/05/18/69/493051869.db2.gz HNHDNQUVCZSNCL-LJQANCHMSA-N 2 2 366.550 0.829 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000652988690 493053094 /nfs/dbraw/zinc/05/30/94/493053094.db2.gz FFXJVXVYXWGKOZ-QGZVFWFLSA-N 2 2 366.506 0.111 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000626896334 493056304 /nfs/dbraw/zinc/05/63/04/493056304.db2.gz PMQBXEPLNNVZDS-UHFFFAOYSA-N 2 2 359.430 0.823 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855612 493058391 /nfs/dbraw/zinc/05/83/91/493058391.db2.gz VTEBKQYTAAEYPP-DOTOQJQBSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855612 493058393 /nfs/dbraw/zinc/05/83/93/493058393.db2.gz VTEBKQYTAAEYPP-DOTOQJQBSA-N 2 2 353.488 0.210 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000632656578 493059450 /nfs/dbraw/zinc/05/94/50/493059450.db2.gz VIJJIRRPPFVCPZ-INIZCTEOSA-N 2 2 355.442 0.753 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000632656578 493059455 /nfs/dbraw/zinc/05/94/55/493059455.db2.gz VIJJIRRPPFVCPZ-INIZCTEOSA-N 2 2 355.442 0.753 20 0 FCADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000626919791 493062644 /nfs/dbraw/zinc/06/26/44/493062644.db2.gz NWGLXRHGIMBORS-KBPBESRZSA-N 2 2 354.476 0.409 20 0 FCADLP CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060846 493065321 /nfs/dbraw/zinc/06/53/21/493065321.db2.gz ULFBWSIEEFKOJJ-CYBMUJFWSA-N 2 2 371.507 0.220 20 0 FCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000653069074 493066166 /nfs/dbraw/zinc/06/61/66/493066166.db2.gz BAHNGFVKZZMNKD-SUMWQHHRSA-N 2 2 362.474 0.800 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626934455 493066657 /nfs/dbraw/zinc/06/66/57/493066657.db2.gz FZVVVSOSOXYQSX-FRRDWIJNSA-N 2 2 352.401 0.876 20 0 FCADLP C[C@@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000626933899 493066932 /nfs/dbraw/zinc/06/69/32/493066932.db2.gz PLPGSBRPYYSCSM-RDJZCZTQSA-N 2 2 354.495 0.507 20 0 FCADLP COc1cccc(CC(=O)N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653080561 493068038 /nfs/dbraw/zinc/06/80/38/493068038.db2.gz LIHOZRRUKZINMI-QGZVFWFLSA-N 2 2 362.474 0.188 20 0 FCADLP CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653100191 493069829 /nfs/dbraw/zinc/06/98/29/493069829.db2.gz JLCZRDJQRQHQIV-SWLSCSKDSA-N 2 2 356.492 0.981 20 0 FCADLP COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)N2CCOCC2)cc1 ZINC000653105333 493070835 /nfs/dbraw/zinc/07/08/35/493070835.db2.gz QPVKUFWDQDSYLO-ROUUACIJSA-N 2 2 364.490 0.464 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626971966 493071888 /nfs/dbraw/zinc/07/18/88/493071888.db2.gz CUNBMSXETSKIQY-MCIONIFRSA-N 2 2 365.444 0.791 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626970700 493072140 /nfs/dbraw/zinc/07/21/40/493072140.db2.gz UAJLTRRJYGRVOU-UPJWGTAASA-N 2 2 352.401 0.876 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626970700 493072143 /nfs/dbraw/zinc/07/21/43/493072143.db2.gz UAJLTRRJYGRVOU-UPJWGTAASA-N 2 2 352.401 0.876 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)C1 ZINC000653116753 493072590 /nfs/dbraw/zinc/07/25/90/493072590.db2.gz QZTOIGQGUKTYTF-BRWVUGGUSA-N 2 2 367.538 0.105 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000653113865 493072694 /nfs/dbraw/zinc/07/26/94/493072694.db2.gz QMHBKLTZGBCQCG-IRXDYDNUSA-N 2 2 352.454 0.594 20 0 FCADLP C[NH+](C)CC[C@H](N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000653113769 493073120 /nfs/dbraw/zinc/07/31/20/493073120.db2.gz NKRWYIAWMNCULZ-KRWDZBQOSA-N 2 2 364.490 0.293 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653113099 493073162 /nfs/dbraw/zinc/07/31/62/493073162.db2.gz SNKHZABWYYWGMM-KRWDZBQOSA-N 3 2 361.490 0.682 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000626977057 493074080 /nfs/dbraw/zinc/07/40/80/493074080.db2.gz VLSSMEFFWNEHRI-MRXNPFEDSA-N 2 2 351.495 0.372 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653124277 493074430 /nfs/dbraw/zinc/07/44/30/493074430.db2.gz WNOGJLCPFUJBHC-DYVFJYSZSA-N 2 2 350.463 0.678 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000646649416 493078030 /nfs/dbraw/zinc/07/80/30/493078030.db2.gz DQOGZPIPGUKPRX-INIZCTEOSA-N 2 2 359.474 0.769 20 0 FCADLP COc1cc2c(c(OC)c1OC)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653156103 493079303 /nfs/dbraw/zinc/07/93/03/493079303.db2.gz RBDZLJUCPYZPLG-OAHLLOKOSA-N 2 2 365.474 0.919 20 0 FCADLP COc1cccc(COC[C@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049683 493080051 /nfs/dbraw/zinc/08/00/51/493080051.db2.gz QLKODMJKYBWMLW-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP COc1cccc(COC[C@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049683 493080056 /nfs/dbraw/zinc/08/00/56/493080056.db2.gz QLKODMJKYBWMLW-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC000640091785 493082492 /nfs/dbraw/zinc/08/24/92/493082492.db2.gz OWKJOXXCSAQFGQ-BBWFWOEESA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC000640091785 493082498 /nfs/dbraw/zinc/08/24/98/493082498.db2.gz OWKJOXXCSAQFGQ-BBWFWOEESA-N 2 2 353.507 0.839 20 0 FCADLP O=C1C[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653280000 493088992 /nfs/dbraw/zinc/08/89/92/493088992.db2.gz SMQJIJLCFKQBAI-HZPDHXFCSA-N 2 2 357.458 0.331 20 0 FCADLP O=C1C[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653280000 493088993 /nfs/dbraw/zinc/08/89/93/493088993.db2.gz SMQJIJLCFKQBAI-HZPDHXFCSA-N 2 2 357.458 0.331 20 0 FCADLP Cn1cc(Br)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000640310251 493092862 /nfs/dbraw/zinc/09/28/62/493092862.db2.gz OZZTUBGVIXPOIX-UHFFFAOYSA-N 2 2 373.299 1.330 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@H](Cc2ccccc2)C1 ZINC000653356134 493099530 /nfs/dbraw/zinc/09/95/30/493099530.db2.gz HYCPUTNMALEHKK-QGZVFWFLSA-N 2 2 355.442 0.385 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@H](Cc2ccccc2)C1 ZINC000653356134 493099531 /nfs/dbraw/zinc/09/95/31/493099531.db2.gz HYCPUTNMALEHKK-QGZVFWFLSA-N 2 2 355.442 0.385 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000633035925 493107431 /nfs/dbraw/zinc/10/74/31/493107431.db2.gz HAXRQWYADKRXEA-IIAWOOMASA-N 2 2 360.458 0.966 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627223279 493109970 /nfs/dbraw/zinc/10/99/70/493109970.db2.gz AICMWWOAYLALHR-KZNAEPCWSA-N 2 2 359.474 0.676 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627223279 493109971 /nfs/dbraw/zinc/10/99/71/493109971.db2.gz AICMWWOAYLALHR-KZNAEPCWSA-N 2 2 359.474 0.676 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627223278 493110025 /nfs/dbraw/zinc/11/00/25/493110025.db2.gz AICMWWOAYLALHR-KURKYZTESA-N 2 2 359.474 0.676 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627223278 493110029 /nfs/dbraw/zinc/11/00/29/493110029.db2.gz AICMWWOAYLALHR-KURKYZTESA-N 2 2 359.474 0.676 20 0 FCADLP C[C@@H]1CCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H]1n1cc[nH+]c1 ZINC000627230165 493111753 /nfs/dbraw/zinc/11/17/53/493111753.db2.gz GBEOZXOUBVZBHX-VNQPRFMTSA-N 2 2 358.450 0.802 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000653391622 493116024 /nfs/dbraw/zinc/11/60/24/493116024.db2.gz GXNXFFYNQGYVBW-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CN(C)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc[nH+]1 ZINC000640598875 493119787 /nfs/dbraw/zinc/11/97/87/493119787.db2.gz YFJCKRVSBOZZOM-GOSISDBHSA-N 2 2 363.462 0.885 20 0 FCADLP CN(C)c1cc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc[nH+]1 ZINC000640598875 493119790 /nfs/dbraw/zinc/11/97/90/493119790.db2.gz YFJCKRVSBOZZOM-GOSISDBHSA-N 2 2 363.462 0.885 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000653414351 493125955 /nfs/dbraw/zinc/12/59/55/493125955.db2.gz QSJYVPAXCLFCOG-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633115290 493131978 /nfs/dbraw/zinc/13/19/78/493131978.db2.gz JAIATIUZVIRXKQ-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)CC1 ZINC000640837464 493134639 /nfs/dbraw/zinc/13/46/39/493134639.db2.gz RPDMSAHCKDTUBQ-GOSISDBHSA-N 2 2 354.458 0.829 20 0 FCADLP CCCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@@H]1CC[N@H+](C)C1 ZINC000647030872 493149222 /nfs/dbraw/zinc/14/92/22/493149222.db2.gz UYPUFBQXVLXFHJ-CYBMUJFWSA-N 2 2 350.467 0.045 20 0 FCADLP CCCN(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[C@@H]1CC[N@@H+](C)C1 ZINC000647030872 493149226 /nfs/dbraw/zinc/14/92/26/493149226.db2.gz UYPUFBQXVLXFHJ-CYBMUJFWSA-N 2 2 350.467 0.045 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000659095111 493150329 /nfs/dbraw/zinc/15/03/29/493150329.db2.gz YEOJDTYUVLFOMC-KBPBESRZSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000659095111 493150336 /nfs/dbraw/zinc/15/03/36/493150336.db2.gz YEOJDTYUVLFOMC-KBPBESRZSA-N 2 2 360.458 0.496 20 0 FCADLP [NH3+]C[C@H](O)CCc1cn(Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000640957322 493153966 /nfs/dbraw/zinc/15/39/66/493153966.db2.gz COBSVYCMNGOPRA-CYBMUJFWSA-N 2 2 365.235 0.989 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489148 493154717 /nfs/dbraw/zinc/15/47/17/493154717.db2.gz HLDJPULMRQQNRP-HIFRSBDPSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489148 493154720 /nfs/dbraw/zinc/15/47/20/493154720.db2.gz HLDJPULMRQQNRP-HIFRSBDPSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489148 493154723 /nfs/dbraw/zinc/15/47/23/493154723.db2.gz HLDJPULMRQQNRP-HIFRSBDPSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489148 493154725 /nfs/dbraw/zinc/15/47/25/493154725.db2.gz HLDJPULMRQQNRP-HIFRSBDPSA-N 2 2 359.492 0.266 20 0 FCADLP O=C(Cn1cc(Cn2cc[nH+]c2)nn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000641031560 493163844 /nfs/dbraw/zinc/16/38/44/493163844.db2.gz QGGAQBCMTWOOKL-UHFFFAOYSA-N 2 2 355.402 0.460 20 0 FCADLP CCN(CCOC)c1cccc(Cn2cc(CN3CC[NH+](C)CC3)nn2)[nH+]1 ZINC000641168921 493175381 /nfs/dbraw/zinc/17/53/81/493175381.db2.gz DJXAZOTXVAGBJG-UHFFFAOYSA-N 2 2 373.505 0.942 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)C[C@@H](O)C(F)(F)F)CC1 ZINC000653790285 493179732 /nfs/dbraw/zinc/17/97/32/493179732.db2.gz MCXDJNCCFZPHKY-CYBMUJFWSA-N 2 2 355.401 0.459 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)C[C@@H](O)C(F)(F)F)CC1 ZINC000653790285 493179738 /nfs/dbraw/zinc/17/97/38/493179738.db2.gz MCXDJNCCFZPHKY-CYBMUJFWSA-N 2 2 355.401 0.459 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659454179 493183603 /nfs/dbraw/zinc/18/36/03/493183603.db2.gz YHUGENAQEUOFES-KZNAEPCWSA-N 2 2 363.481 0.816 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659454179 493183608 /nfs/dbraw/zinc/18/36/08/493183608.db2.gz YHUGENAQEUOFES-KZNAEPCWSA-N 2 2 363.481 0.816 20 0 FCADLP CCOC1CC(CNC(=O)N2CC3CC2(C[NH3+])C3)([NH+]2CCOCC2)C1 ZINC000659486292 493191315 /nfs/dbraw/zinc/19/13/15/493191315.db2.gz CNQLYCZYGWGLDC-UHFFFAOYSA-N 2 2 352.479 0.389 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344564 493194823 /nfs/dbraw/zinc/19/48/23/493194823.db2.gz GHTZIKJGKSHCHK-ZBFHGGJFSA-N 2 2 368.547 0.577 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344564 493194829 /nfs/dbraw/zinc/19/48/29/493194829.db2.gz GHTZIKJGKSHCHK-ZBFHGGJFSA-N 2 2 368.547 0.577 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000681602265 493195460 /nfs/dbraw/zinc/19/54/60/493195460.db2.gz XNXWEJJZIFDWRD-GOSISDBHSA-N 2 2 354.458 0.869 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000681602265 493195464 /nfs/dbraw/zinc/19/54/64/493195464.db2.gz XNXWEJJZIFDWRD-GOSISDBHSA-N 2 2 354.458 0.869 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000681604265 493195559 /nfs/dbraw/zinc/19/55/59/493195559.db2.gz AMOLDHAGVSGKQA-HNNXBMFYSA-N 2 2 360.487 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000681604265 493195561 /nfs/dbraw/zinc/19/55/61/493195561.db2.gz AMOLDHAGVSGKQA-HNNXBMFYSA-N 2 2 360.487 0.931 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672534869 493196019 /nfs/dbraw/zinc/19/60/19/493196019.db2.gz DQMAHKJJEIPIIG-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672534869 493196026 /nfs/dbraw/zinc/19/60/26/493196026.db2.gz DQMAHKJJEIPIIG-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536838 493196824 /nfs/dbraw/zinc/19/68/24/493196824.db2.gz GQHBYHHURPSSBG-FUHWJXTLSA-N 2 2 373.501 0.934 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536838 493196829 /nfs/dbraw/zinc/19/68/29/493196829.db2.gz GQHBYHHURPSSBG-FUHWJXTLSA-N 2 2 373.501 0.934 20 0 FCADLP CN(C(=O)CNC(=O)c1cccc(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681730093 493211802 /nfs/dbraw/zinc/21/18/02/493211802.db2.gz KGYINHGASQQVBO-QGZVFWFLSA-N 2 2 374.485 0.749 20 0 FCADLP CN(C(=O)CNC(=O)c1cccc(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681730093 493211805 /nfs/dbraw/zinc/21/18/05/493211805.db2.gz KGYINHGASQQVBO-QGZVFWFLSA-N 2 2 374.485 0.749 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1C ZINC000672593311 493212302 /nfs/dbraw/zinc/21/23/02/493212302.db2.gz KOXLIDFLCFSZTN-GJZGRUSLSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000672593311 493212308 /nfs/dbraw/zinc/21/23/08/493212308.db2.gz KOXLIDFLCFSZTN-GJZGRUSLSA-N 2 2 364.515 0.991 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664315 493212369 /nfs/dbraw/zinc/21/23/69/493212369.db2.gz ZPYWFZOMTJKUQR-FUHWJXTLSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664315 493212372 /nfs/dbraw/zinc/21/23/72/493212372.db2.gz ZPYWFZOMTJKUQR-FUHWJXTLSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000672593909 493212472 /nfs/dbraw/zinc/21/24/72/493212472.db2.gz JHSQDDDQIDRHRE-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000672593909 493212477 /nfs/dbraw/zinc/21/24/77/493212477.db2.gz JHSQDDDQIDRHRE-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659572422 493214640 /nfs/dbraw/zinc/21/46/40/493214640.db2.gz TWHMCLDUJZWQMF-OAHLLOKOSA-N 2 2 369.510 0.126 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659569828 493214874 /nfs/dbraw/zinc/21/48/74/493214874.db2.gz CFZXUMCCPJNSTE-MRXNPFEDSA-N 2 2 365.522 0.986 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637649 493220103 /nfs/dbraw/zinc/22/01/03/493220103.db2.gz LSWHMPAHGSPDEF-DOTOQJQBSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637649 493220106 /nfs/dbraw/zinc/22/01/06/493220106.db2.gz LSWHMPAHGSPDEF-DOTOQJQBSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637710 493220438 /nfs/dbraw/zinc/22/04/38/493220438.db2.gz NIUOTYGLAVNWKE-GOEBONIOSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637710 493220440 /nfs/dbraw/zinc/22/04/40/493220440.db2.gz NIUOTYGLAVNWKE-GOEBONIOSA-N 2 2 366.506 0.202 20 0 FCADLP CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637801 493220886 /nfs/dbraw/zinc/22/08/86/493220886.db2.gz CKHPRVOCTWDDDV-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637801 493220889 /nfs/dbraw/zinc/22/08/89/493220889.db2.gz CKHPRVOCTWDDDV-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000672637668 493221105 /nfs/dbraw/zinc/22/11/05/493221105.db2.gz LZNNCFNXHXCUIQ-QGZVFWFLSA-N 2 2 374.485 0.080 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000672637668 493221108 /nfs/dbraw/zinc/22/11/08/493221108.db2.gz LZNNCFNXHXCUIQ-QGZVFWFLSA-N 2 2 374.485 0.080 20 0 FCADLP C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638704 493221452 /nfs/dbraw/zinc/22/14/52/493221452.db2.gz HKLWUKGQBLOJHV-ZOBUZTSGSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638704 493221455 /nfs/dbraw/zinc/22/14/55/493221455.db2.gz HKLWUKGQBLOJHV-ZOBUZTSGSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639227 493222150 /nfs/dbraw/zinc/22/21/50/493222150.db2.gz KILWOARSBHHZBG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639227 493222152 /nfs/dbraw/zinc/22/21/52/493222152.db2.gz KILWOARSBHHZBG-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640278 493223271 /nfs/dbraw/zinc/22/32/71/493223271.db2.gz YSTFYXVYKOMAGL-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640278 493223275 /nfs/dbraw/zinc/22/32/75/493223275.db2.gz YSTFYXVYKOMAGL-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640862 493223985 /nfs/dbraw/zinc/22/39/85/493223985.db2.gz KYXOAYYTOIFQDZ-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640862 493223990 /nfs/dbraw/zinc/22/39/90/493223990.db2.gz KYXOAYYTOIFQDZ-BZUAXINKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H]1CCSCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641133 493224977 /nfs/dbraw/zinc/22/49/77/493224977.db2.gz NGUIILHYGLPEKL-GJZGRUSLSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@H]1CCSCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641133 493224980 /nfs/dbraw/zinc/22/49/80/493224980.db2.gz NGUIILHYGLPEKL-GJZGRUSLSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@@H]1c2cccn2CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643374 493227584 /nfs/dbraw/zinc/22/75/84/493227584.db2.gz WNCAQGBBKZDFPU-HZPDHXFCSA-N 2 2 373.501 0.676 20 0 FCADLP C[C@@H]1c2cccn2CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643374 493227587 /nfs/dbraw/zinc/22/75/87/493227587.db2.gz WNCAQGBBKZDFPU-HZPDHXFCSA-N 2 2 373.501 0.676 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC(=O)N1C ZINC000659642658 493227977 /nfs/dbraw/zinc/22/79/77/493227977.db2.gz YFDBYJJOAAYJGV-FQLMCAECSA-N 2 2 360.462 0.618 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000672650691 493229070 /nfs/dbraw/zinc/22/90/70/493229070.db2.gz YYUVQXVVEJYUDG-PBHICJAKSA-N 2 2 355.442 0.897 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000672698480 493235189 /nfs/dbraw/zinc/23/51/89/493235189.db2.gz QWYMCDVYPKJEHL-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000672698480 493235191 /nfs/dbraw/zinc/23/51/91/493235191.db2.gz QWYMCDVYPKJEHL-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000672697996 493235428 /nfs/dbraw/zinc/23/54/28/493235428.db2.gz GMACVEWJBMSNSX-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCOCC1 ZINC000672707148 493237638 /nfs/dbraw/zinc/23/76/38/493237638.db2.gz FVRWZLNYRCANIF-INIZCTEOSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCOCC1 ZINC000672707148 493237641 /nfs/dbraw/zinc/23/76/41/493237641.db2.gz FVRWZLNYRCANIF-INIZCTEOSA-N 2 2 356.511 0.441 20 0 FCADLP CN1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000681891693 493237848 /nfs/dbraw/zinc/23/78/48/493237848.db2.gz RRVCHLKVIAPNPH-HNNXBMFYSA-N 2 2 358.446 0.874 20 0 FCADLP C[C@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000666943017 493239614 /nfs/dbraw/zinc/23/96/14/493239614.db2.gz OVZQPOJNZRYGNF-LBPRGKRZSA-N 2 2 355.464 0.091 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)[nH+]c12 ZINC000672761582 493245266 /nfs/dbraw/zinc/24/52/66/493245266.db2.gz BMAXOJKADWHFBO-QGZVFWFLSA-N 2 2 369.469 0.998 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)[nH+]c12 ZINC000672761703 493245353 /nfs/dbraw/zinc/24/53/53/493245353.db2.gz JHDKXRFLFWZSLO-QGZVFWFLSA-N 2 2 369.469 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)[nH+]c12 ZINC000672761703 493245358 /nfs/dbraw/zinc/24/53/58/493245358.db2.gz JHDKXRFLFWZSLO-QGZVFWFLSA-N 2 2 369.469 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c12 ZINC000672762563 493246478 /nfs/dbraw/zinc/24/64/78/493246478.db2.gz IAGXAGAGXZYSCP-CABCVRRESA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c12 ZINC000672762563 493246481 /nfs/dbraw/zinc/24/64/81/493246481.db2.gz IAGXAGAGXZYSCP-CABCVRRESA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c12 ZINC000672762565 493246851 /nfs/dbraw/zinc/24/68/51/493246851.db2.gz IAGXAGAGXZYSCP-HUUCEWRRSA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c12 ZINC000672762565 493246852 /nfs/dbraw/zinc/24/68/52/493246852.db2.gz IAGXAGAGXZYSCP-HUUCEWRRSA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000672765449 493247887 /nfs/dbraw/zinc/24/78/87/493247887.db2.gz KEUNFMCYPXYBMN-HNNXBMFYSA-N 2 2 355.442 0.654 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000672765449 493247889 /nfs/dbraw/zinc/24/78/89/493247889.db2.gz KEUNFMCYPXYBMN-HNNXBMFYSA-N 2 2 355.442 0.654 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659681868 493248668 /nfs/dbraw/zinc/24/86/68/493248668.db2.gz CKOYAUSKDUWHCG-YYIAUSFCSA-N 2 2 366.506 0.332 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672920381 493265984 /nfs/dbraw/zinc/26/59/84/493265984.db2.gz UVUCNKXQDOXQGP-HOTGVXAUSA-N 2 2 368.547 0.625 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCS1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672920381 493265986 /nfs/dbraw/zinc/26/59/86/493265986.db2.gz UVUCNKXQDOXQGP-HOTGVXAUSA-N 2 2 368.547 0.625 20 0 FCADLP CC1(CNC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CC[NH2+]CC1 ZINC000659725525 493273798 /nfs/dbraw/zinc/27/37/98/493273798.db2.gz XVFHOXRXBKDRNU-UHFFFAOYSA-N 2 2 359.474 0.804 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672984825 493276533 /nfs/dbraw/zinc/27/65/33/493276533.db2.gz LTMZRNIYSDHUOH-UHFFFAOYSA-N 3 2 355.527 0.111 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672984825 493276536 /nfs/dbraw/zinc/27/65/36/493276536.db2.gz LTMZRNIYSDHUOH-UHFFFAOYSA-N 3 2 355.527 0.111 20 0 FCADLP Cc1ncccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682227192 493280635 /nfs/dbraw/zinc/28/06/35/493280635.db2.gz JMVAQDHGMFQAOR-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ncccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682227192 493280638 /nfs/dbraw/zinc/28/06/38/493280638.db2.gz JMVAQDHGMFQAOR-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1nc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270560 493285006 /nfs/dbraw/zinc/28/50/06/493285006.db2.gz XOQSTGVGDIWQIW-CYBMUJFWSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270560 493285008 /nfs/dbraw/zinc/28/50/08/493285008.db2.gz XOQSTGVGDIWQIW-CYBMUJFWSA-N 2 2 365.503 0.983 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000659750657 493286000 /nfs/dbraw/zinc/28/60/00/493286000.db2.gz PDSGKEXFJBRBBY-HUUCEWRRSA-N 2 2 362.474 0.625 20 0 FCADLP C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000673219516 493304517 /nfs/dbraw/zinc/30/45/17/493304517.db2.gz KRHUFIHPSGNKPL-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000673219516 493304519 /nfs/dbraw/zinc/30/45/19/493304519.db2.gz KRHUFIHPSGNKPL-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000673289948 493312851 /nfs/dbraw/zinc/31/28/51/493312851.db2.gz YEALQFIMKMWNFV-IAOVAPTHSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000673289948 493312854 /nfs/dbraw/zinc/31/28/54/493312854.db2.gz YEALQFIMKMWNFV-IAOVAPTHSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@H+](C)CCO1 ZINC000673289948 493312856 /nfs/dbraw/zinc/31/28/56/493312856.db2.gz YEALQFIMKMWNFV-IAOVAPTHSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000673289948 493312859 /nfs/dbraw/zinc/31/28/59/493312859.db2.gz YEALQFIMKMWNFV-IAOVAPTHSA-N 2 2 360.458 0.125 20 0 FCADLP CN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682613286 493313835 /nfs/dbraw/zinc/31/38/35/493313835.db2.gz HLHFEOYPRKBWNT-QGZVFWFLSA-N 3 2 355.527 0.375 20 0 FCADLP CN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682613286 493313838 /nfs/dbraw/zinc/31/38/38/493313838.db2.gz HLHFEOYPRKBWNT-QGZVFWFLSA-N 3 2 355.527 0.375 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673303654 493315838 /nfs/dbraw/zinc/31/58/38/493315838.db2.gz LODHBBQDVNIPBP-HZPDHXFCSA-N 2 2 368.441 0.837 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660121728 493327054 /nfs/dbraw/zinc/32/70/54/493327054.db2.gz NUFRRKAQUPHEBZ-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660121728 493327056 /nfs/dbraw/zinc/32/70/56/493327056.db2.gz NUFRRKAQUPHEBZ-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@]1([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOC1 ZINC000683042804 493331282 /nfs/dbraw/zinc/33/12/82/493331282.db2.gz IJKVWDYATUXQIO-SFHVURJKSA-N 2 2 373.461 0.171 20 0 FCADLP CC(=O)c1nc(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)[nH]c1C ZINC000660163556 493331226 /nfs/dbraw/zinc/33/12/26/493331226.db2.gz ACCIEYFXRUKBJR-UHFFFAOYSA-N 2 2 350.463 0.622 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000660163246 493331662 /nfs/dbraw/zinc/33/16/62/493331662.db2.gz BMNBJDOVNBKJNB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000660163246 493331664 /nfs/dbraw/zinc/33/16/64/493331664.db2.gz BMNBJDOVNBKJNB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660638338 493368845 /nfs/dbraw/zinc/36/88/45/493368845.db2.gz JJBGZCDHYXEZLF-GOSISDBHSA-N 2 2 367.538 0.422 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660638338 493368848 /nfs/dbraw/zinc/36/88/48/493368848.db2.gz JJBGZCDHYXEZLF-GOSISDBHSA-N 2 2 367.538 0.422 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000683813866 493372275 /nfs/dbraw/zinc/37/22/75/493372275.db2.gz SYVFCTBMXRZHME-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000683813866 493372278 /nfs/dbraw/zinc/37/22/78/493372278.db2.gz SYVFCTBMXRZHME-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660712402 493375378 /nfs/dbraw/zinc/37/53/78/493375378.db2.gz JTWOXLPUIISKBC-AEFFLSMTSA-N 3 2 365.522 0.271 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660712402 493375379 /nfs/dbraw/zinc/37/53/79/493375379.db2.gz JTWOXLPUIISKBC-AEFFLSMTSA-N 3 2 365.522 0.271 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643410 493389402 /nfs/dbraw/zinc/38/94/02/493389402.db2.gz IXZXCCHXYOUUJM-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668643410 493389404 /nfs/dbraw/zinc/38/94/04/493389404.db2.gz IXZXCCHXYOUUJM-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000668686558 493396842 /nfs/dbraw/zinc/39/68/42/493396842.db2.gz RGKSYNHYAVPVNP-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000668745342 493404938 /nfs/dbraw/zinc/40/49/38/493404938.db2.gz QPQJPCHABIVLTF-QAPCUYQASA-N 2 2 362.474 0.776 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674396132 493413212 /nfs/dbraw/zinc/41/32/12/493413212.db2.gz LVTAIPKVUKHEBD-SFHVURJKSA-N 2 2 362.474 0.337 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843038 493419641 /nfs/dbraw/zinc/41/96/41/493419641.db2.gz MQWHZVCYEPCYRU-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843038 493419643 /nfs/dbraw/zinc/41/96/43/493419643.db2.gz MQWHZVCYEPCYRU-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000668843038 493419647 /nfs/dbraw/zinc/41/96/47/493419647.db2.gz MQWHZVCYEPCYRU-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000668843038 493419650 /nfs/dbraw/zinc/41/96/50/493419650.db2.gz MQWHZVCYEPCYRU-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661551615 493446636 /nfs/dbraw/zinc/44/66/36/493446636.db2.gz UEFIJZBSRGSQRO-HNNXBMFYSA-N 2 2 374.489 0.943 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596484 493450178 /nfs/dbraw/zinc/45/01/78/493450178.db2.gz JCGFEEHBJXCBCO-ZACQAIPSSA-N 2 2 371.485 0.719 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596484 493450181 /nfs/dbraw/zinc/45/01/81/493450181.db2.gz JCGFEEHBJXCBCO-ZACQAIPSSA-N 2 2 371.485 0.719 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@H]3COCCO3)CC2)c1 ZINC000661605198 493451311 /nfs/dbraw/zinc/45/13/11/493451311.db2.gz ILVUCINDNGCIGX-IBGZPJMESA-N 2 2 361.486 0.986 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@H]3COCCO3)CC2)c1 ZINC000661605198 493451314 /nfs/dbraw/zinc/45/13/14/493451314.db2.gz ILVUCINDNGCIGX-IBGZPJMESA-N 2 2 361.486 0.986 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000661675177 493457082 /nfs/dbraw/zinc/45/70/82/493457082.db2.gz HZNWLCMEZXPTJC-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000661675177 493457084 /nfs/dbraw/zinc/45/70/84/493457084.db2.gz HZNWLCMEZXPTJC-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661770727 493465237 /nfs/dbraw/zinc/46/52/37/493465237.db2.gz HZRPFDNTZZDMKD-IAGOWNOFSA-N 2 2 353.507 0.983 20 0 FCADLP C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661770727 493465240 /nfs/dbraw/zinc/46/52/40/493465240.db2.gz HZRPFDNTZZDMKD-IAGOWNOFSA-N 2 2 353.507 0.983 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955481 493479064 /nfs/dbraw/zinc/47/90/64/493479064.db2.gz IHVNKCKHIBCKNS-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955481 493479069 /nfs/dbraw/zinc/47/90/69/493479069.db2.gz IHVNKCKHIBCKNS-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338996 493479572 /nfs/dbraw/zinc/47/95/72/493479572.db2.gz BPWCXOJJPOXEIM-AEFFLSMTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338996 493479575 /nfs/dbraw/zinc/47/95/75/493479575.db2.gz BPWCXOJJPOXEIM-AEFFLSMTSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343055 493481051 /nfs/dbraw/zinc/48/10/51/493481051.db2.gz KQDGGBLCTRCRTM-WCVJEAGWSA-N 2 2 363.462 0.128 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343055 493481052 /nfs/dbraw/zinc/48/10/52/493481052.db2.gz KQDGGBLCTRCRTM-WCVJEAGWSA-N 2 2 363.462 0.128 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685343054 493481685 /nfs/dbraw/zinc/48/16/85/493481685.db2.gz KQDGGBLCTRCRTM-LVQVYYBASA-N 2 2 363.462 0.128 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343054 493481687 /nfs/dbraw/zinc/48/16/87/493481687.db2.gz KQDGGBLCTRCRTM-LVQVYYBASA-N 2 2 363.462 0.128 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000685344576 493482343 /nfs/dbraw/zinc/48/23/43/493482343.db2.gz YTHHXZMMUZFJQH-RYQLBKOJSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000685344576 493482346 /nfs/dbraw/zinc/48/23/46/493482346.db2.gz YTHHXZMMUZFJQH-RYQLBKOJSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000685344576 493482347 /nfs/dbraw/zinc/48/23/47/493482347.db2.gz YTHHXZMMUZFJQH-RYQLBKOJSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344576 493482351 /nfs/dbraw/zinc/48/23/51/493482351.db2.gz YTHHXZMMUZFJQH-RYQLBKOJSA-N 2 2 374.485 0.337 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000685358127 493484843 /nfs/dbraw/zinc/48/48/43/493484843.db2.gz ODYXVKIMFVPWNM-ZMSDIMECSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000685358127 493484845 /nfs/dbraw/zinc/48/48/45/493484845.db2.gz ODYXVKIMFVPWNM-ZMSDIMECSA-N 2 2 371.485 0.789 20 0 FCADLP CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285335 493502437 /nfs/dbraw/zinc/50/24/37/493502437.db2.gz BCXUNHJSOQZRLF-UHFFFAOYSA-N 2 2 362.474 0.811 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662291491 493503925 /nfs/dbraw/zinc/50/39/25/493503925.db2.gz UVBIQAOQIJKVDT-IAGOWNOFSA-N 2 2 371.547 0.734 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290812 493504008 /nfs/dbraw/zinc/50/40/08/493504008.db2.gz KVMMIIGCOJOPEO-OIISXLGYSA-N 2 2 371.547 0.732 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCC(F)(F)F ZINC000662335332 493507739 /nfs/dbraw/zinc/50/77/39/493507739.db2.gz KLRNEQFJGKWVSZ-LBPRGKRZSA-N 2 2 374.411 0.677 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCC(F)(F)F ZINC000662335332 493507741 /nfs/dbraw/zinc/50/77/41/493507741.db2.gz KLRNEQFJGKWVSZ-LBPRGKRZSA-N 2 2 374.411 0.677 20 0 FCADLP CCc1nnc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1C ZINC000662336757 493507818 /nfs/dbraw/zinc/50/78/18/493507818.db2.gz GKSPQTAEMNGZOS-AWEZNQCLSA-N 2 2 358.494 0.890 20 0 FCADLP CCc1nnc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1C ZINC000662336757 493507820 /nfs/dbraw/zinc/50/78/20/493507820.db2.gz GKSPQTAEMNGZOS-AWEZNQCLSA-N 2 2 358.494 0.890 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccc(Cl)c1 ZINC000669513942 493508224 /nfs/dbraw/zinc/50/82/24/493508224.db2.gz DTKZPLBMCUHZCE-GDBMZVCRSA-N 2 2 350.850 0.763 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662356605 493509349 /nfs/dbraw/zinc/50/93/49/493509349.db2.gz OUIJEIIKLVJPOO-INIZCTEOSA-N 2 2 355.446 0.474 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662365496 493509962 /nfs/dbraw/zinc/50/99/62/493509962.db2.gz SYRPUQMRWDZONU-UHFFFAOYSA-N 2 2 363.425 0.929 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@@H](N3CC[NH2+]CC3=O)C1)CCC2 ZINC000669541064 493510532 /nfs/dbraw/zinc/51/05/32/493510532.db2.gz IQCXQHOZNARQQH-HZPDHXFCSA-N 2 2 374.489 0.675 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662497761 493520978 /nfs/dbraw/zinc/52/09/78/493520978.db2.gz XFJSNPPYPZSSNS-GJZGRUSLSA-N 2 2 374.489 0.255 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662532625 493524169 /nfs/dbraw/zinc/52/41/69/493524169.db2.gz UCLFBPJPGJUJQE-OKILXGFUSA-N 2 2 350.467 0.384 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662532625 493524171 /nfs/dbraw/zinc/52/41/71/493524171.db2.gz UCLFBPJPGJUJQE-OKILXGFUSA-N 2 2 350.467 0.384 20 0 FCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000662661972 493530272 /nfs/dbraw/zinc/53/02/72/493530272.db2.gz KSFMSQBTWHEPRO-CRAIPNDOSA-N 2 2 361.442 0.466 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662673770 493530901 /nfs/dbraw/zinc/53/09/01/493530901.db2.gz RACAABHAWYHXRB-DOTOQJQBSA-N 2 2 364.494 0.679 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662673810 493530953 /nfs/dbraw/zinc/53/09/53/493530953.db2.gz RQKHIYBGLFXVKJ-HNNXBMFYSA-N 2 2 350.467 0.387 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000662722251 493534908 /nfs/dbraw/zinc/53/49/08/493534908.db2.gz LTJIFRSXIYXTOT-IRXDYDNUSA-N 2 2 366.506 0.191 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000669927081 493535436 /nfs/dbraw/zinc/53/54/36/493535436.db2.gz SMRHZOUEGRNWTD-UHFFFAOYSA-N 2 2 351.495 0.374 20 0 FCADLP C[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000662751725 493537656 /nfs/dbraw/zinc/53/76/56/493537656.db2.gz DAYHBBCUOAGMNP-VYDXJSESSA-N 2 2 362.478 0.385 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662787051 493542019 /nfs/dbraw/zinc/54/20/19/493542019.db2.gz CXZMBXFHQHZZPY-UHFFFAOYSA-N 2 2 363.462 0.426 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662787051 493542021 /nfs/dbraw/zinc/54/20/21/493542021.db2.gz CXZMBXFHQHZZPY-UHFFFAOYSA-N 2 2 363.462 0.426 20 0 FCADLP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899111 493550138 /nfs/dbraw/zinc/55/01/38/493550138.db2.gz BKEZIXLFTFDJMY-GOSISDBHSA-N 3 2 374.533 0.589 20 0 FCADLP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899111 493550139 /nfs/dbraw/zinc/55/01/39/493550139.db2.gz BKEZIXLFTFDJMY-GOSISDBHSA-N 3 2 374.533 0.589 20 0 FCADLP Cn1nc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000676418826 493550931 /nfs/dbraw/zinc/55/09/31/493550931.db2.gz PHEIWAZHJDLWHC-OAHLLOKOSA-N 2 2 357.458 0.596 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000676547774 493557602 /nfs/dbraw/zinc/55/76/02/493557602.db2.gz HLQFKQJDLQFKLR-UHFFFAOYSA-N 2 2 370.457 0.515 20 0 FCADLP C[C@H]1COCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000676711646 493568197 /nfs/dbraw/zinc/56/81/97/493568197.db2.gz UIIGUHFEJAIDHJ-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP C[C@H]1COCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000676711646 493568199 /nfs/dbraw/zinc/56/81/99/493568199.db2.gz UIIGUHFEJAIDHJ-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP O=C1NC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1=O ZINC000663119766 493572864 /nfs/dbraw/zinc/57/28/64/493572864.db2.gz LWLYUWGCYXTSKN-SFHVURJKSA-N 2 2 356.470 0.815 20 0 FCADLP O=C1NC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1=O ZINC000663119766 493572867 /nfs/dbraw/zinc/57/28/67/493572867.db2.gz LWLYUWGCYXTSKN-SFHVURJKSA-N 2 2 356.470 0.815 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670500350 493574863 /nfs/dbraw/zinc/57/48/63/493574863.db2.gz OFLUVNDKBPWQNG-VYDXJSESSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670500350 493574864 /nfs/dbraw/zinc/57/48/64/493574864.db2.gz OFLUVNDKBPWQNG-VYDXJSESSA-N 2 2 350.507 0.966 20 0 FCADLP COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504351 493575543 /nfs/dbraw/zinc/57/55/43/493575543.db2.gz OEAAZYPMEYQKNU-MRXNPFEDSA-N 2 2 374.485 0.596 20 0 FCADLP COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504351 493575546 /nfs/dbraw/zinc/57/55/46/493575546.db2.gz OEAAZYPMEYQKNU-MRXNPFEDSA-N 2 2 374.485 0.596 20 0 FCADLP CN(C(=O)C(=O)NCc1cccs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670504831 493575580 /nfs/dbraw/zinc/57/55/80/493575580.db2.gz CNYFZZSURPWKAQ-HNNXBMFYSA-N 2 2 364.515 0.991 20 0 FCADLP CN(C(=O)C(=O)NCc1cccs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670504831 493575583 /nfs/dbraw/zinc/57/55/83/493575583.db2.gz CNYFZZSURPWKAQ-HNNXBMFYSA-N 2 2 364.515 0.991 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCOc3ccccc3)C2)CC1 ZINC000670536509 493578076 /nfs/dbraw/zinc/57/80/76/493578076.db2.gz ZNYITQKDMBSQFP-MRXNPFEDSA-N 2 2 374.485 0.466 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCOc3ccccc3)C2)CC1 ZINC000670536509 493578079 /nfs/dbraw/zinc/57/80/79/493578079.db2.gz ZNYITQKDMBSQFP-MRXNPFEDSA-N 2 2 374.485 0.466 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000670537415 493578325 /nfs/dbraw/zinc/57/83/25/493578325.db2.gz DICBJSAWFYXBGJ-OAHLLOKOSA-N 2 2 363.462 0.274 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC[NH+]1CCOCC1)C(C)(C)CO ZINC000663404972 493587336 /nfs/dbraw/zinc/58/73/36/493587336.db2.gz PKDJVSMONCXIIM-CQSZACIVSA-N 2 2 353.467 0.501 20 0 FCADLP C[C@@H]1C[NH+](CCNc2cnc(NCC[N@@H+]3CCO[C@H](C)C3)cn2)CCO1 ZINC000663518597 493593537 /nfs/dbraw/zinc/59/35/37/493593537.db2.gz TWMUCMYQEYRXAY-HZPDHXFCSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1C[NH+](CCNc2cnc(NCC[N@H+]3CCO[C@H](C)C3)cn2)CCO1 ZINC000663518597 493593539 /nfs/dbraw/zinc/59/35/39/493593539.db2.gz TWMUCMYQEYRXAY-HZPDHXFCSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000663543805 493595361 /nfs/dbraw/zinc/59/53/61/493595361.db2.gz RQLAFTBOMZRZHY-BBWFWOEESA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000663543805 493595363 /nfs/dbraw/zinc/59/53/63/493595363.db2.gz RQLAFTBOMZRZHY-BBWFWOEESA-N 2 2 368.522 0.990 20 0 FCADLP CNC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677386592 493599118 /nfs/dbraw/zinc/59/91/18/493599118.db2.gz BMWZMCDVDXLFMV-ZBFHGGJFSA-N 2 2 353.511 0.615 20 0 FCADLP CNC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677386592 493599120 /nfs/dbraw/zinc/59/91/20/493599120.db2.gz BMWZMCDVDXLFMV-ZBFHGGJFSA-N 2 2 353.511 0.615 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670815874 493600471 /nfs/dbraw/zinc/60/04/71/493600471.db2.gz BRYCMEXRDKUSQF-QGZVFWFLSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670815874 493600473 /nfs/dbraw/zinc/60/04/73/493600473.db2.gz BRYCMEXRDKUSQF-QGZVFWFLSA-N 2 2 371.485 0.899 20 0 FCADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000677443127 493601780 /nfs/dbraw/zinc/60/17/80/493601780.db2.gz MMRGTHAIXRVBOH-KRWDZBQOSA-N 2 2 353.507 0.794 20 0 FCADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000677443127 493601785 /nfs/dbraw/zinc/60/17/85/493601785.db2.gz MMRGTHAIXRVBOH-KRWDZBQOSA-N 2 2 353.507 0.794 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000663614514 493604400 /nfs/dbraw/zinc/60/44/00/493604400.db2.gz WYSBNDDMBOWILD-AUUYWEPGSA-N 2 2 360.458 0.887 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000663850533 493621124 /nfs/dbraw/zinc/62/11/24/493621124.db2.gz GSJROORTOTVDFI-UHFFFAOYSA-N 2 2 361.490 0.664 20 0 FCADLP CCOCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671030852 493623970 /nfs/dbraw/zinc/62/39/70/493623970.db2.gz NEEZJTRNEHYDRU-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP CCOCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671030852 493623971 /nfs/dbraw/zinc/62/39/71/493623971.db2.gz NEEZJTRNEHYDRU-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000664002543 493629675 /nfs/dbraw/zinc/62/96/75/493629675.db2.gz KQEGJVQLUKAIEL-BZUAXINKSA-N 2 2 352.479 0.260 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000664002543 493629677 /nfs/dbraw/zinc/62/96/77/493629677.db2.gz KQEGJVQLUKAIEL-BZUAXINKSA-N 2 2 352.479 0.260 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000664007643 493630018 /nfs/dbraw/zinc/63/00/18/493630018.db2.gz RXEYJIAZMPANLO-ZOBUZTSGSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000664007643 493630021 /nfs/dbraw/zinc/63/00/21/493630021.db2.gz RXEYJIAZMPANLO-ZOBUZTSGSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000664008533 493630108 /nfs/dbraw/zinc/63/01/08/493630108.db2.gz HUBDLBLHKFFDKR-RCCFBDPRSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000664008523 493630170 /nfs/dbraw/zinc/63/01/70/493630170.db2.gz HUBDLBLHKFFDKR-BZSNNMDCSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(CCC(N)=O)CC3)C2)CC1 ZINC000678065988 493632229 /nfs/dbraw/zinc/63/22/29/493632229.db2.gz XBYLQVDTETYJQN-MRXNPFEDSA-N 2 2 365.522 0.842 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(CCC(N)=O)CC3)C2)CC1 ZINC000678065988 493632231 /nfs/dbraw/zinc/63/22/31/493632231.db2.gz XBYLQVDTETYJQN-MRXNPFEDSA-N 2 2 365.522 0.842 20 0 FCADLP Cn1cnnc1[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678112552 493635131 /nfs/dbraw/zinc/63/51/31/493635131.db2.gz WWJXRHDETQYZOQ-GOEBONIOSA-N 2 2 361.494 0.830 20 0 FCADLP Cn1cnnc1[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678112552 493635134 /nfs/dbraw/zinc/63/51/34/493635134.db2.gz WWJXRHDETQYZOQ-GOEBONIOSA-N 2 2 361.494 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107253 493635685 /nfs/dbraw/zinc/63/56/85/493635685.db2.gz MPTNSTJPXBMLNZ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107253 493635687 /nfs/dbraw/zinc/63/56/87/493635687.db2.gz MPTNSTJPXBMLNZ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107253 493635691 /nfs/dbraw/zinc/63/56/91/493635691.db2.gz MPTNSTJPXBMLNZ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107253 493635693 /nfs/dbraw/zinc/63/56/93/493635693.db2.gz MPTNSTJPXBMLNZ-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129345 493638499 /nfs/dbraw/zinc/63/84/99/493638499.db2.gz FRVYCSMABNGINO-ZACQAIPSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129345 493638500 /nfs/dbraw/zinc/63/85/00/493638500.db2.gz FRVYCSMABNGINO-ZACQAIPSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129345 493638502 /nfs/dbraw/zinc/63/85/02/493638502.db2.gz FRVYCSMABNGINO-ZACQAIPSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129345 493638504 /nfs/dbraw/zinc/63/85/04/493638504.db2.gz FRVYCSMABNGINO-ZACQAIPSSA-N 3 2 367.538 0.563 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671126316 493639838 /nfs/dbraw/zinc/63/98/38/493639838.db2.gz YYZPMHLVLXBLMZ-INIZCTEOSA-N 2 2 359.474 0.479 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671126316 493639841 /nfs/dbraw/zinc/63/98/41/493639841.db2.gz YYZPMHLVLXBLMZ-INIZCTEOSA-N 2 2 359.474 0.479 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671134646 493641619 /nfs/dbraw/zinc/64/16/19/493641619.db2.gz GFMDFVSDDGGXHF-OAHLLOKOSA-N 2 2 351.451 0.131 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671134646 493641622 /nfs/dbraw/zinc/64/16/22/493641622.db2.gz GFMDFVSDDGGXHF-OAHLLOKOSA-N 2 2 351.451 0.131 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000664181564 493642454 /nfs/dbraw/zinc/64/24/54/493642454.db2.gz KNTIRTRQWRIYRN-KBPBESRZSA-N 2 2 353.467 0.500 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000664191697 493643559 /nfs/dbraw/zinc/64/35/59/493643559.db2.gz VZHFKSBJYPUDLI-ROUUACIJSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000671172609 493645770 /nfs/dbraw/zinc/64/57/70/493645770.db2.gz XJHUJATZSDHUOK-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000671240262 493650266 /nfs/dbraw/zinc/65/02/66/493650266.db2.gz OREYTJORKIBMSZ-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000671240262 493650268 /nfs/dbraw/zinc/65/02/68/493650268.db2.gz OREYTJORKIBMSZ-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000678625769 493652620 /nfs/dbraw/zinc/65/26/20/493652620.db2.gz CUOZQKBECGKOAE-FQEVSTJZSA-N 2 2 372.513 0.737 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCOC1 ZINC000671336685 493656318 /nfs/dbraw/zinc/65/63/18/493656318.db2.gz PQHZJGQYMOMKQA-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCOC1 ZINC000671336685 493656320 /nfs/dbraw/zinc/65/63/20/493656320.db2.gz PQHZJGQYMOMKQA-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000664537517 493666711 /nfs/dbraw/zinc/66/67/11/493666711.db2.gz NILKYCWNOCTCNM-QGZVFWFLSA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCC(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)CC1 ZINC000679149505 493670385 /nfs/dbraw/zinc/67/03/85/493670385.db2.gz RBSPKNBZXZRZRQ-UHFFFAOYSA-N 2 2 353.492 0.669 20 0 FCADLP O=C1NC(=O)N2CC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]12 ZINC000679390717 493678320 /nfs/dbraw/zinc/67/83/20/493678320.db2.gz LGNNEOCVEIENKD-KRWDZBQOSA-N 2 2 358.442 0.897 20 0 FCADLP O=C1NC(=O)N2CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]12 ZINC000679390717 493678322 /nfs/dbraw/zinc/67/83/22/493678322.db2.gz LGNNEOCVEIENKD-KRWDZBQOSA-N 2 2 358.442 0.897 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)CO1 ZINC000664815047 493684678 /nfs/dbraw/zinc/68/46/78/493684678.db2.gz KHPDNRLQAVIFEH-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)CO1 ZINC000664815047 493684680 /nfs/dbraw/zinc/68/46/80/493684680.db2.gz KHPDNRLQAVIFEH-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)CO1 ZINC000664815047 493684681 /nfs/dbraw/zinc/68/46/81/493684681.db2.gz KHPDNRLQAVIFEH-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)CO1 ZINC000664815047 493684683 /nfs/dbraw/zinc/68/46/83/493684683.db2.gz KHPDNRLQAVIFEH-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(C)(C)CO ZINC000664957502 493691620 /nfs/dbraw/zinc/69/16/20/493691620.db2.gz FWAZUVBQUNFGRF-CQSZACIVSA-N 2 2 353.467 0.501 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)C(C)(C)CO ZINC000664957502 493691622 /nfs/dbraw/zinc/69/16/22/493691622.db2.gz FWAZUVBQUNFGRF-CQSZACIVSA-N 2 2 353.467 0.501 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680011862 493705200 /nfs/dbraw/zinc/70/52/00/493705200.db2.gz GVCLDGHRCZKHFQ-WMZOPIPTSA-N 3 2 352.523 0.582 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680011862 493705202 /nfs/dbraw/zinc/70/52/02/493705202.db2.gz GVCLDGHRCZKHFQ-WMZOPIPTSA-N 3 2 352.523 0.582 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000680011373 493705247 /nfs/dbraw/zinc/70/52/47/493705247.db2.gz YQJNYAHNSFBXJI-MRXNPFEDSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236319 493705760 /nfs/dbraw/zinc/70/57/60/493705760.db2.gz KGVOUJWFZGAWRM-AAEUAGOBSA-N 2 2 371.279 0.931 20 0 FCADLP COC[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671811512 493706442 /nfs/dbraw/zinc/70/64/42/493706442.db2.gz SJSUWWAYDSOYIE-HOCLYGCPSA-N 2 2 354.495 0.012 20 0 FCADLP COC[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671811512 493706444 /nfs/dbraw/zinc/70/64/44/493706444.db2.gz SJSUWWAYDSOYIE-HOCLYGCPSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000680087000 493706631 /nfs/dbraw/zinc/70/66/31/493706631.db2.gz ARWYBNPVUUIXBM-QGZVFWFLSA-N 2 2 353.507 0.962 20 0 FCADLP CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368037 493712498 /nfs/dbraw/zinc/71/24/98/493712498.db2.gz BSDKBAZOADCTKE-GJZGRUSLSA-N 2 2 353.511 0.696 20 0 FCADLP CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368037 493712499 /nfs/dbraw/zinc/71/24/99/493712499.db2.gz BSDKBAZOADCTKE-GJZGRUSLSA-N 2 2 353.511 0.696 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000680467446 493718317 /nfs/dbraw/zinc/71/83/17/493718317.db2.gz OOKQRVQPMFIWEO-CABCVRRESA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000680467446 493718320 /nfs/dbraw/zinc/71/83/20/493718320.db2.gz OOKQRVQPMFIWEO-CABCVRRESA-N 2 2 350.467 0.772 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960470 493718574 /nfs/dbraw/zinc/71/85/74/493718574.db2.gz WSBZCKAPXWKUOD-QAPCUYQASA-N 2 2 374.485 0.374 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960470 493718576 /nfs/dbraw/zinc/71/85/76/493718576.db2.gz WSBZCKAPXWKUOD-QAPCUYQASA-N 2 2 374.485 0.374 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000672003596 493723423 /nfs/dbraw/zinc/72/34/23/493723423.db2.gz HJTWNDYJJNDGJS-UHFFFAOYSA-N 2 2 368.503 0.087 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000672003596 493723424 /nfs/dbraw/zinc/72/34/24/493723424.db2.gz HJTWNDYJJNDGJS-UHFFFAOYSA-N 2 2 368.503 0.087 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672012366 493724500 /nfs/dbraw/zinc/72/45/00/493724500.db2.gz 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CCNc1nc(N2CC[N@@H+](CCO)C(C)(C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000672261035 493747417 /nfs/dbraw/zinc/74/74/17/493747417.db2.gz UFIDFOKJMWADLS-UHFFFAOYSA-N 2 2 351.499 0.829 20 0 FCADLP CCc1nncn1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217494 493751237 /nfs/dbraw/zinc/75/12/37/493751237.db2.gz GPBDMGSAIFZCPN-MRXNPFEDSA-N 2 2 363.510 0.650 20 0 FCADLP CCc1nncn1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217494 493751239 /nfs/dbraw/zinc/75/12/39/493751239.db2.gz GPBDMGSAIFZCPN-MRXNPFEDSA-N 2 2 363.510 0.650 20 0 FCADLP CO[C@]1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218782 493751794 /nfs/dbraw/zinc/75/17/94/493751794.db2.gz MQCDWEZASBQUIT-AEFFLSMTSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@]1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218782 493751796 /nfs/dbraw/zinc/75/17/96/493751796.db2.gz MQCDWEZASBQUIT-AEFFLSMTSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)NCC[NH+]1CCSCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218270 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ZINC000586876899 546571808 /nfs/dbraw/zinc/57/18/08/546571808.db2.gz LPWAQNMLLFVJFZ-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184154 546618844 /nfs/dbraw/zinc/61/88/44/546618844.db2.gz FCQSDCSRWQENEK-LLVKDONJSA-N 2 2 366.384 0.560 20 0 FCADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184154 546618849 /nfs/dbraw/zinc/61/88/49/546618849.db2.gz FCQSDCSRWQENEK-LLVKDONJSA-N 2 2 366.384 0.560 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000594334086 546783913 /nfs/dbraw/zinc/78/39/13/546783913.db2.gz DUDOSFSWDOACOC-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000594334086 546783918 /nfs/dbraw/zinc/78/39/18/546783918.db2.gz DUDOSFSWDOACOC-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000152644288 546920469 /nfs/dbraw/zinc/92/04/69/546920469.db2.gz ZEDIQESSVCKHBR-ZACQAIPSSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152644288 546920474 /nfs/dbraw/zinc/92/04/74/546920474.db2.gz ZEDIQESSVCKHBR-ZACQAIPSSA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000549978671 547076635 /nfs/dbraw/zinc/07/66/35/547076635.db2.gz SLNNUHQQERKEJV-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000549978671 547076642 /nfs/dbraw/zinc/07/66/42/547076642.db2.gz SLNNUHQQERKEJV-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CCCC[NH+]1CCC(Nc2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000552993055 547245058 /nfs/dbraw/zinc/24/50/58/547245058.db2.gz KUJVSNHFTGLJOO-UHFFFAOYSA-N 2 2 351.499 0.038 20 0 FCADLP CCCC[NH+]1CCC(Nc2nc(NC(C)C)nc(NCCO)[nH+]2)CC1 ZINC000552993055 547245060 /nfs/dbraw/zinc/24/50/60/547245060.db2.gz KUJVSNHFTGLJOO-UHFFFAOYSA-N 2 2 351.499 0.038 20 0 FCADLP CC[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@H](C)C1 ZINC000553264220 547263677 /nfs/dbraw/zinc/26/36/77/547263677.db2.gz IBLNTGZENHDOGD-OAHLLOKOSA-N 2 2 367.519 0.548 20 0 FCADLP CC[N@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@H](C)C1 ZINC000553264220 547263682 /nfs/dbraw/zinc/26/36/82/547263682.db2.gz IBLNTGZENHDOGD-OAHLLOKOSA-N 2 2 367.519 0.548 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553620210 547294740 /nfs/dbraw/zinc/29/47/40/547294740.db2.gz IEDFAFXERINOOV-HUUCEWRRSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552462003 547381874 /nfs/dbraw/zinc/38/18/74/547381874.db2.gz BQMUNKFEQXXSQF-NSHDSACASA-N 2 2 359.459 0.865 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000487383341 547384524 /nfs/dbraw/zinc/38/45/24/547384524.db2.gz BYQJGIOCLKQAEW-UHFFFAOYSA-N 2 2 353.467 0.308 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000163237777 547391870 /nfs/dbraw/zinc/39/18/70/547391870.db2.gz VLFCCGXSKXQBNR-CYBMUJFWSA-N 2 2 354.476 0.483 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821575701 606215640 /nfs/dbraw/zinc/21/56/40/606215640.db2.gz MGFMFBLFIZETFI-CQSZACIVSA-N 2 2 363.491 0.961 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821575701 606215642 /nfs/dbraw/zinc/21/56/42/606215642.db2.gz MGFMFBLFIZETFI-CQSZACIVSA-N 2 2 363.491 0.961 20 0 FCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826331582 608253677 /nfs/dbraw/zinc/25/36/77/608253677.db2.gz PBJLTJYLZJOUEF-LBPRGKRZSA-N 2 2 354.422 0.372 20 0 FCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826331582 608253679 /nfs/dbraw/zinc/25/36/79/608253679.db2.gz PBJLTJYLZJOUEF-LBPRGKRZSA-N 2 2 354.422 0.372 20 0 FCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584970 609141286 /nfs/dbraw/zinc/14/12/86/609141286.db2.gz KOEGUNOUALZFEX-GFCCVEGCSA-N 2 2 361.425 0.821 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[NH+](CC2CC2)C1 ZINC000970197404 663247208 /nfs/dbraw/zinc/24/72/08/663247208.db2.gz AVGVKCZYYAPVGR-OLMNPRSZSA-N 2 2 351.491 0.713 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[NH+](C)C ZINC000078713051 663355017 /nfs/dbraw/zinc/35/50/17/663355017.db2.gz SKZAFNNVGGZPMI-AWEZNQCLSA-N 2 2 368.503 0.901 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[NH+](C)C ZINC000078713051 663355020 /nfs/dbraw/zinc/35/50/20/663355020.db2.gz SKZAFNNVGGZPMI-AWEZNQCLSA-N 2 2 368.503 0.901 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022230681 663422778 /nfs/dbraw/zinc/42/27/78/663422778.db2.gz FQLDGMZHQWPFDV-RKQHYHRCSA-N 2 2 352.460 0.185 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022230681 663422781 /nfs/dbraw/zinc/42/27/81/663422781.db2.gz FQLDGMZHQWPFDV-RKQHYHRCSA-N 2 2 352.460 0.185 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275743 663428844 /nfs/dbraw/zinc/42/88/44/663428844.db2.gz RLJLFCBIOSWJLQ-XGFWRYKXSA-N 2 2 351.451 0.649 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275743 663428845 /nfs/dbraw/zinc/42/88/45/663428845.db2.gz RLJLFCBIOSWJLQ-XGFWRYKXSA-N 2 2 351.451 0.649 20 0 FCADLP COCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001022276147 663428893 /nfs/dbraw/zinc/42/88/93/663428893.db2.gz ATJHAHXRWUZWRL-GUIRCDHDSA-N 2 2 368.503 0.745 20 0 FCADLP COCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001022276147 663428894 /nfs/dbraw/zinc/42/88/94/663428894.db2.gz ATJHAHXRWUZWRL-GUIRCDHDSA-N 2 2 368.503 0.745 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001022276716 663429139 /nfs/dbraw/zinc/42/91/39/663429139.db2.gz PZLHTKWJJODKDE-YIYPIFLZSA-N 2 2 350.467 0.384 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001022276716 663429142 /nfs/dbraw/zinc/42/91/42/663429142.db2.gz PZLHTKWJJODKDE-YIYPIFLZSA-N 2 2 350.467 0.384 20 0 FCADLP CC(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276490 663429201 /nfs/dbraw/zinc/42/92/01/663429201.db2.gz LUQHSNQAIXEECM-YIYPIFLZSA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)c1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276490 663429203 /nfs/dbraw/zinc/42/92/03/663429203.db2.gz LUQHSNQAIXEECM-YIYPIFLZSA-N 2 2 351.451 0.649 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nncs3)C2)O1 ZINC001024036907 663866692 /nfs/dbraw/zinc/86/66/92/663866692.db2.gz SVPABFOIRBTZKH-HZSPNIEDSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nncs3)C2)O1 ZINC001024036907 663866693 /nfs/dbraw/zinc/86/66/93/663866693.db2.gz SVPABFOIRBTZKH-HZSPNIEDSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nncs3)C2)O1 ZINC001024036908 663866725 /nfs/dbraw/zinc/86/67/25/663866725.db2.gz SVPABFOIRBTZKH-MGPQQGTHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nncs3)C2)O1 ZINC001024036908 663866727 /nfs/dbraw/zinc/86/67/27/663866727.db2.gz SVPABFOIRBTZKH-MGPQQGTHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnsn3)C2)O1 ZINC001024039006 663868339 /nfs/dbraw/zinc/86/83/39/663868339.db2.gz MJBVEICKAFYLKH-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cnsn3)C2)O1 ZINC001024039006 663868342 /nfs/dbraw/zinc/86/83/42/663868342.db2.gz MJBVEICKAFYLKH-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncn2C)O1 ZINC001024999720 664034461 /nfs/dbraw/zinc/03/44/61/664034461.db2.gz ZTQDCPVGTVZLIF-RBSFLKMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nncn2C)O1 ZINC001024999720 664034463 /nfs/dbraw/zinc/03/44/63/664034463.db2.gz ZTQDCPVGTVZLIF-RBSFLKMASA-N 2 2 350.467 0.005 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000892758018 664137483 /nfs/dbraw/zinc/13/74/83/664137483.db2.gz XLMZPASWUPOTRG-HOTGVXAUSA-N 2 2 352.479 0.261 20 0 FCADLP CC1(C)CC[N@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000892930638 664155684 /nfs/dbraw/zinc/15/56/84/664155684.db2.gz XSJLWGFRTOULOW-UHFFFAOYSA-N 2 2 374.551 0.527 20 0 FCADLP CC1(C)CC[N@@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000892930638 664155685 /nfs/dbraw/zinc/15/56/85/664155685.db2.gz XSJLWGFRTOULOW-UHFFFAOYSA-N 2 2 374.551 0.527 20 0 FCADLP O=C(NC1CCC([NH2+]CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001026532660 664240278 /nfs/dbraw/zinc/24/02/78/664240278.db2.gz SDWMNTBHMQIFNA-BACDZXNISA-N 2 2 357.470 0.853 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001027966620 664479476 /nfs/dbraw/zinc/47/94/76/664479476.db2.gz SEOHPKANDYFRRA-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001027966620 664479478 /nfs/dbraw/zinc/47/94/78/664479478.db2.gz SEOHPKANDYFRRA-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001027966620 664479481 /nfs/dbraw/zinc/47/94/81/664479481.db2.gz SEOHPKANDYFRRA-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001027966620 664479483 /nfs/dbraw/zinc/47/94/83/664479483.db2.gz SEOHPKANDYFRRA-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCn3cc(Cl)cn3)CC2)O1 ZINC000981439902 664827422 /nfs/dbraw/zinc/82/74/22/664827422.db2.gz NQEVFQQWQANUGX-GDBMZVCRSA-N 2 2 369.897 0.790 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCn3cc(Cl)cn3)CC2)O1 ZINC000981439902 664827431 /nfs/dbraw/zinc/82/74/31/664827431.db2.gz NQEVFQQWQANUGX-GDBMZVCRSA-N 2 2 369.897 0.790 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCn3cc(Cl)cn3)CC2)O1 ZINC000981439902 664827438 /nfs/dbraw/zinc/82/74/38/664827438.db2.gz NQEVFQQWQANUGX-GDBMZVCRSA-N 2 2 369.897 0.790 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCn3cc(Cl)cn3)CC2)O1 ZINC000981439902 664827448 /nfs/dbraw/zinc/82/74/48/664827448.db2.gz NQEVFQQWQANUGX-GDBMZVCRSA-N 2 2 369.897 0.790 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCO[C@H]3CC3(F)F)CC2)O1 ZINC000981439539 664827548 /nfs/dbraw/zinc/82/75/48/664827548.db2.gz DWROCPYJDXRPNO-KFWWJZLASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCO[C@H]3CC3(F)F)CC2)O1 ZINC000981439539 664827551 /nfs/dbraw/zinc/82/75/51/664827551.db2.gz DWROCPYJDXRPNO-KFWWJZLASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCO[C@H]3CC3(F)F)CC2)O1 ZINC000981439539 664827554 /nfs/dbraw/zinc/82/75/54/664827554.db2.gz DWROCPYJDXRPNO-KFWWJZLASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCO[C@H]3CC3(F)F)CC2)O1 ZINC000981439539 664827558 /nfs/dbraw/zinc/82/75/58/664827558.db2.gz DWROCPYJDXRPNO-KFWWJZLASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC000981776462 664839246 /nfs/dbraw/zinc/83/92/46/664839246.db2.gz PBSIBWMSLHFDOH-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC000981776462 664839248 /nfs/dbraw/zinc/83/92/48/664839248.db2.gz PBSIBWMSLHFDOH-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC000981776462 664839253 /nfs/dbraw/zinc/83/92/53/664839253.db2.gz PBSIBWMSLHFDOH-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC000981776462 664839260 /nfs/dbraw/zinc/83/92/60/664839260.db2.gz PBSIBWMSLHFDOH-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000726256314 664915388 /nfs/dbraw/zinc/91/53/88/664915388.db2.gz DURDNHJQAVMYNM-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000726256314 664915390 /nfs/dbraw/zinc/91/53/90/664915390.db2.gz DURDNHJQAVMYNM-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000726256314 664915392 /nfs/dbraw/zinc/91/53/92/664915392.db2.gz DURDNHJQAVMYNM-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000726256314 664915394 /nfs/dbraw/zinc/91/53/94/664915394.db2.gz DURDNHJQAVMYNM-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC000983704971 664985041 /nfs/dbraw/zinc/98/50/41/664985041.db2.gz PCDUELXMAVOOEV-AAVRWANBSA-N 2 2 366.535 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC000983704971 664985042 /nfs/dbraw/zinc/98/50/42/664985042.db2.gz PCDUELXMAVOOEV-AAVRWANBSA-N 2 2 366.535 0.929 20 0 FCADLP Cc1noc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984014555 665013149 /nfs/dbraw/zinc/01/31/49/665013149.db2.gz MRPUCCWZZYLDSZ-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1noc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984014555 665013154 /nfs/dbraw/zinc/01/31/54/665013154.db2.gz MRPUCCWZZYLDSZ-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000895685286 665056071 /nfs/dbraw/zinc/05/60/71/665056071.db2.gz LDYDDXNVBUYMSS-KZNAEPCWSA-N 2 2 373.563 0.728 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326477 665080935 /nfs/dbraw/zinc/08/09/35/665080935.db2.gz ZISJQAXGFPHWRZ-INIZCTEOSA-N 3 2 350.507 0.382 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000896326477 665080938 /nfs/dbraw/zinc/08/09/38/665080938.db2.gz ZISJQAXGFPHWRZ-INIZCTEOSA-N 3 2 350.507 0.382 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562082 665094778 /nfs/dbraw/zinc/09/47/78/665094778.db2.gz DRTFELVVGCAJKR-CGTJXYLNSA-N 2 2 354.539 0.874 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562082 665094780 /nfs/dbraw/zinc/09/47/80/665094780.db2.gz DRTFELVVGCAJKR-CGTJXYLNSA-N 2 2 354.539 0.874 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000896593558 665098834 /nfs/dbraw/zinc/09/88/34/665098834.db2.gz BUTUZTAEJQWAOV-HUUCEWRRSA-N 2 2 367.519 0.945 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC000896593558 665098837 /nfs/dbraw/zinc/09/88/37/665098837.db2.gz BUTUZTAEJQWAOV-HUUCEWRRSA-N 2 2 367.519 0.945 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767632 665171747 /nfs/dbraw/zinc/17/17/47/665171747.db2.gz WFSLHYKZOVCNBN-OWCLPIDISA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767632 665171748 /nfs/dbraw/zinc/17/17/48/665171748.db2.gz WFSLHYKZOVCNBN-OWCLPIDISA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767632 665171749 /nfs/dbraw/zinc/17/17/49/665171749.db2.gz WFSLHYKZOVCNBN-OWCLPIDISA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767632 665171750 /nfs/dbraw/zinc/17/17/50/665171750.db2.gz WFSLHYKZOVCNBN-OWCLPIDISA-N 2 2 350.463 0.982 20 0 FCADLP Cc1nnsc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985496552 665171782 /nfs/dbraw/zinc/17/17/82/665171782.db2.gz NOOVIFICWTYPCA-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985496552 665171783 /nfs/dbraw/zinc/17/17/83/665171783.db2.gz NOOVIFICWTYPCA-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985496552 665171784 /nfs/dbraw/zinc/17/17/84/665171784.db2.gz NOOVIFICWTYPCA-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985496552 665171785 /nfs/dbraw/zinc/17/17/85/665171785.db2.gz NOOVIFICWTYPCA-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CCSC1 ZINC000906899812 666075673 /nfs/dbraw/zinc/07/56/73/666075673.db2.gz CLSCIYVQXKBYFC-SFHVURJKSA-N 2 2 366.531 0.987 20 0 FCADLP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000908600835 666213554 /nfs/dbraw/zinc/21/35/54/666213554.db2.gz VGNQVXSDOASJIN-QGZVFWFLSA-N 2 2 353.507 0.981 20 0 FCADLP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000908600835 666213556 /nfs/dbraw/zinc/21/35/56/666213556.db2.gz VGNQVXSDOASJIN-QGZVFWFLSA-N 2 2 353.507 0.981 20 0 FCADLP CC[N@H+](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000069111016 666496267 /nfs/dbraw/zinc/49/62/67/666496267.db2.gz BJXQIIZDDFBVEU-UHFFFAOYSA-N 2 2 362.540 0.525 20 0 FCADLP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000069111016 666496269 /nfs/dbraw/zinc/49/62/69/666496269.db2.gz BJXQIIZDDFBVEU-UHFFFAOYSA-N 2 2 362.540 0.525 20 0 FCADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031868937 666537966 /nfs/dbraw/zinc/53/79/66/666537966.db2.gz NCOBHZRWMIXVKU-OIISXLGYSA-N 2 2 357.470 0.662 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731757603 666837911 /nfs/dbraw/zinc/83/79/11/666837911.db2.gz GLYXZSSFTICXHS-AWEZNQCLSA-N 2 2 360.524 0.136 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731757603 666837914 /nfs/dbraw/zinc/83/79/14/666837914.db2.gz GLYXZSSFTICXHS-AWEZNQCLSA-N 2 2 360.524 0.136 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CCO1 ZINC000915854609 666897763 /nfs/dbraw/zinc/89/77/63/666897763.db2.gz PZNUWXQTTYEPAY-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)CCO1 ZINC000915854609 666897767 /nfs/dbraw/zinc/89/77/67/666897767.db2.gz PZNUWXQTTYEPAY-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CCO1 ZINC000915854609 666897770 /nfs/dbraw/zinc/89/77/70/666897770.db2.gz PZNUWXQTTYEPAY-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CCO1 ZINC000915854609 666897773 /nfs/dbraw/zinc/89/77/73/666897773.db2.gz PZNUWXQTTYEPAY-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000993582844 666918124 /nfs/dbraw/zinc/91/81/24/666918124.db2.gz BYRMDRRCWWWWDG-BFHYXJOUSA-N 2 2 365.503 0.145 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000993582844 666918127 /nfs/dbraw/zinc/91/81/27/666918127.db2.gz BYRMDRRCWWWWDG-BFHYXJOUSA-N 2 2 365.503 0.145 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665690 666977696 /nfs/dbraw/zinc/97/76/96/666977696.db2.gz PSRLXBLJOYRPMG-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665690 666977697 /nfs/dbraw/zinc/97/76/97/666977697.db2.gz PSRLXBLJOYRPMG-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000734665690 666977698 /nfs/dbraw/zinc/97/76/98/666977698.db2.gz PSRLXBLJOYRPMG-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCO1 ZINC000734665690 666977703 /nfs/dbraw/zinc/97/77/03/666977703.db2.gz PSRLXBLJOYRPMG-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000918906300 667140413 /nfs/dbraw/zinc/14/04/13/667140413.db2.gz MLNOSDXFQSEQEO-HUUCEWRRSA-N 2 2 352.479 0.559 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000918906300 667140415 /nfs/dbraw/zinc/14/04/15/667140415.db2.gz MLNOSDXFQSEQEO-HUUCEWRRSA-N 2 2 352.479 0.559 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3CC4(C3)OCCO4)C2)CC1 ZINC000918906884 667140522 /nfs/dbraw/zinc/14/05/22/667140522.db2.gz SJEUPIJQAMCDEQ-HNNXBMFYSA-N 2 2 352.479 0.607 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3CC4(C3)OCCO4)C2)CC1 ZINC000918906884 667140525 /nfs/dbraw/zinc/14/05/25/667140525.db2.gz SJEUPIJQAMCDEQ-HNNXBMFYSA-N 2 2 352.479 0.607 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000999494043 667241665 /nfs/dbraw/zinc/24/16/65/667241665.db2.gz HMORRVBCEFAOFZ-HZSPNIEDSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC000999494043 667241669 /nfs/dbraw/zinc/24/16/69/667241669.db2.gz HMORRVBCEFAOFZ-HZSPNIEDSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC(C)CC3)C2)CC[N@@H+]1C ZINC001031681333 667263746 /nfs/dbraw/zinc/26/37/46/667263746.db2.gz NEQNXBRJCPVMMN-NVXWUHKLSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC(C)CC3)C2)CC[N@H+]1C ZINC001031681333 667263750 /nfs/dbraw/zinc/26/37/50/667263750.db2.gz NEQNXBRJCPVMMN-NVXWUHKLSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000737045630 667559922 /nfs/dbraw/zinc/55/99/22/667559922.db2.gz ZZCNCESUHGVADK-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000737045630 667559926 /nfs/dbraw/zinc/55/99/26/667559926.db2.gz ZZCNCESUHGVADK-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684947 667731751 /nfs/dbraw/zinc/73/17/51/667731751.db2.gz HQIKMIZOQQUCRD-XJKSGUPXSA-N 2 2 372.535 0.277 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684947 667731760 /nfs/dbraw/zinc/73/17/60/667731760.db2.gz HQIKMIZOQQUCRD-XJKSGUPXSA-N 2 2 372.535 0.277 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001034939621 667772522 /nfs/dbraw/zinc/77/25/22/667772522.db2.gz HUGDWZSLVYZVCS-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001034939621 667772526 /nfs/dbraw/zinc/77/25/26/667772526.db2.gz HUGDWZSLVYZVCS-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378139 667829134 /nfs/dbraw/zinc/82/91/34/667829134.db2.gz RFSOOKFDIWXHFY-KGLIPLIRSA-N 2 2 351.476 0.872 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378139 667829138 /nfs/dbraw/zinc/82/91/38/667829138.db2.gz RFSOOKFDIWXHFY-KGLIPLIRSA-N 2 2 351.476 0.872 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378144 667829378 /nfs/dbraw/zinc/82/93/78/667829378.db2.gz RFSOOKFDIWXHFY-ZIAGYGMSSA-N 2 2 351.476 0.872 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)sn1 ZINC000923378144 667829382 /nfs/dbraw/zinc/82/93/82/667829382.db2.gz RFSOOKFDIWXHFY-ZIAGYGMSSA-N 2 2 351.476 0.872 20 0 FCADLP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923489000 667840910 /nfs/dbraw/zinc/84/09/10/667840910.db2.gz MYDGBJPUHQKXNN-GDBMZVCRSA-N 2 2 357.520 0.615 20 0 FCADLP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000923489000 667840915 /nfs/dbraw/zinc/84/09/15/667840915.db2.gz MYDGBJPUHQKXNN-GDBMZVCRSA-N 2 2 357.520 0.615 20 0 FCADLP CC[NH+](CC)CCN(C(=S)NCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000839415976 668003359 /nfs/dbraw/zinc/00/33/59/668003359.db2.gz FGDDEOVKPULTBW-CQSZACIVSA-N 2 2 364.581 0.253 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3COC(C)(C)O3)CC2)CC1 ZINC000783201258 668605220 /nfs/dbraw/zinc/60/52/20/668605220.db2.gz CLKLRYWLORAOON-INIZCTEOSA-N 2 2 354.495 0.996 20 0 FCADLP CC[NH+](CC)CCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787001740 668785430 /nfs/dbraw/zinc/78/54/30/668785430.db2.gz YTFCNRJLBTZUCR-INIZCTEOSA-N 2 2 355.479 0.585 20 0 FCADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000787764209 668809124 /nfs/dbraw/zinc/80/91/24/668809124.db2.gz MJTCIANWVASDBH-RDBSUJKOSA-N 2 2 359.467 0.440 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390316 668876101 /nfs/dbraw/zinc/87/61/01/668876101.db2.gz SJQDWDCEVUCFNN-YJBOKZPZSA-N 2 2 352.479 0.513 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCCC1 ZINC000793699182 668942425 /nfs/dbraw/zinc/94/24/25/668942425.db2.gz KDVVEXQGEMDPBZ-CYBMUJFWSA-N 2 2 350.467 0.093 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794432532 668967382 /nfs/dbraw/zinc/96/73/82/668967382.db2.gz RYQRTKUWHDYGSN-AWEZNQCLSA-N 2 2 353.467 0.818 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796552272 669108122 /nfs/dbraw/zinc/10/81/22/669108122.db2.gz UZBZBRBCVQJCEV-BRWVUGGUSA-N 2 2 355.479 0.813 20 0 FCADLP O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796552272 669108123 /nfs/dbraw/zinc/10/81/23/669108123.db2.gz UZBZBRBCVQJCEV-BRWVUGGUSA-N 2 2 355.479 0.813 20 0 FCADLP O=C(C[NH+]1CCCC1)NCCc1csc(NC(=O)C[NH+]2CCCC2)n1 ZINC000822506020 669272666 /nfs/dbraw/zinc/27/26/66/669272666.db2.gz FJYPLHKDBAUCCV-UHFFFAOYSA-N 2 2 365.503 0.932 20 0 FCADLP COC(=O)[C@@H]1CN(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)O1 ZINC000840018345 669347666 /nfs/dbraw/zinc/34/76/66/669347666.db2.gz LPDQAUKOVDNXOI-HNNXBMFYSA-N 2 2 355.435 0.515 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)[C@@H]2C1 ZINC000824321327 669385430 /nfs/dbraw/zinc/38/54/30/669385430.db2.gz SPZWWTXAWHTCSH-GOEBONIOSA-N 2 2 372.535 0.231 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)[C@@H]2C1 ZINC000824321327 669385434 /nfs/dbraw/zinc/38/54/34/669385434.db2.gz SPZWWTXAWHTCSH-GOEBONIOSA-N 2 2 372.535 0.231 20 0 FCADLP C[C@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000829115996 669684485 /nfs/dbraw/zinc/68/44/85/669684485.db2.gz MZALIVBSVOCSNB-HUUCEWRRSA-N 2 2 359.536 0.637 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888465 670047119 /nfs/dbraw/zinc/04/71/19/670047119.db2.gz GFQRFPROHSWDKW-YPMHNXCESA-N 2 2 373.441 0.905 20 0 FCADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817978821 670052171 /nfs/dbraw/zinc/05/21/71/670052171.db2.gz FGPLOFAIXMRJAQ-WCQYABFASA-N 2 2 363.505 0.800 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841730831 670606893 /nfs/dbraw/zinc/60/68/93/670606893.db2.gz PSOZUILMXVIMDI-GOSISDBHSA-N 2 2 368.547 0.979 20 0 FCADLP CCCCN(C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843363855 670807416 /nfs/dbraw/zinc/80/74/16/670807416.db2.gz FPTZPADBPYFGTQ-INIZCTEOSA-N 2 2 371.547 0.878 20 0 FCADLP CCCCN(C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000843363855 670807425 /nfs/dbraw/zinc/80/74/25/670807425.db2.gz FPTZPADBPYFGTQ-INIZCTEOSA-N 2 2 371.547 0.878 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccnc1Cl ZINC000844217448 670910384 /nfs/dbraw/zinc/91/03/84/670910384.db2.gz JHAQKKZZCSZJNB-ZDUSSCGKSA-N 2 2 365.865 0.817 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccnc1Cl ZINC000844217448 670910385 /nfs/dbraw/zinc/91/03/85/670910385.db2.gz JHAQKKZZCSZJNB-ZDUSSCGKSA-N 2 2 365.865 0.817 20 0 FCADLP CO[C@@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041243 671042030 /nfs/dbraw/zinc/04/20/30/671042030.db2.gz LYGTUDREPAFRBY-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985907 671164791 /nfs/dbraw/zinc/16/47/91/671164791.db2.gz WGGVYDAOGQRMKU-OAGGEKHMSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985907 671164793 /nfs/dbraw/zinc/16/47/93/671164793.db2.gz WGGVYDAOGQRMKU-OAGGEKHMSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985907 671164795 /nfs/dbraw/zinc/16/47/95/671164795.db2.gz WGGVYDAOGQRMKU-OAGGEKHMSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000846985907 671164796 /nfs/dbraw/zinc/16/47/96/671164796.db2.gz WGGVYDAOGQRMKU-OAGGEKHMSA-N 2 2 357.495 0.867 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](OC3CCC3)C1)C2=O ZINC000848497961 671280873 /nfs/dbraw/zinc/28/08/73/671280873.db2.gz SFYWQIPAHPSTSS-OAHLLOKOSA-N 2 2 350.463 0.994 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](OC3CCC3)C1)C2=O ZINC000848497961 671280877 /nfs/dbraw/zinc/28/08/77/671280877.db2.gz SFYWQIPAHPSTSS-OAHLLOKOSA-N 2 2 350.463 0.994 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000803513497 675932146 /nfs/dbraw/zinc/93/21/46/675932146.db2.gz XTDVGNXTLYQAIZ-INIZCTEOSA-N 2 2 355.479 0.585 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(F)(F)CC1 ZINC000859496868 671831902 /nfs/dbraw/zinc/83/19/02/671831902.db2.gz CUJUMXVNWSNICD-UHFFFAOYSA-N 2 2 360.449 0.729 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC(F)(F)CC1 ZINC000859496868 671831904 /nfs/dbraw/zinc/83/19/04/671831904.db2.gz CUJUMXVNWSNICD-UHFFFAOYSA-N 2 2 360.449 0.729 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783561 675973049 /nfs/dbraw/zinc/97/30/49/675973049.db2.gz ZEIRTDFEUOPWLZ-SJLPKXTDSA-N 3 2 350.507 0.561 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863571468 672139910 /nfs/dbraw/zinc/13/99/10/672139910.db2.gz YYFSCZHWEUHQBC-JKSUJKDBSA-N 2 2 369.487 0.053 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863571468 672139913 /nfs/dbraw/zinc/13/99/13/672139913.db2.gz YYFSCZHWEUHQBC-JKSUJKDBSA-N 2 2 369.487 0.053 20 0 FCADLP COC(=O)C1CC[NH+](CCCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864880021 672215934 /nfs/dbraw/zinc/21/59/34/672215934.db2.gz QRKYJRZOPZCHRR-RQOWECAXSA-N 2 2 353.463 0.266 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/CN3CCOCC3)CC2)CC1 ZINC000865064570 672223377 /nfs/dbraw/zinc/22/33/77/672223377.db2.gz WLTJHLSLRJZXOY-NSCUHMNNSA-N 2 2 350.507 0.550 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CC4CCCC4)C3)C2)O1 ZINC001053846024 675999222 /nfs/dbraw/zinc/99/92/22/675999222.db2.gz WOVDBRBGRPIXJM-HYVNUMGLSA-N 2 2 351.491 0.855 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CC4CCCC4)C3)C2)O1 ZINC001053846024 675999223 /nfs/dbraw/zinc/99/92/23/675999223.db2.gz WOVDBRBGRPIXJM-HYVNUMGLSA-N 2 2 351.491 0.855 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868308876 672393477 /nfs/dbraw/zinc/39/34/77/672393477.db2.gz CIIPRRLUBPWFRZ-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868308876 672393479 /nfs/dbraw/zinc/39/34/79/672393479.db2.gz CIIPRRLUBPWFRZ-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(CC)CCNC3=O)CC2)CC1 ZINC000868923957 672414929 /nfs/dbraw/zinc/41/49/29/672414929.db2.gz UHMAAWHSJZJZDA-LJQANCHMSA-N 2 2 350.507 0.921 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(CC)CCNC3=O)CC2)CC1 ZINC000868923957 672414931 /nfs/dbraw/zinc/41/49/31/672414931.db2.gz UHMAAWHSJZJZDA-LJQANCHMSA-N 2 2 350.507 0.921 20 0 FCADLP CONC(=O)C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000872790932 672664070 /nfs/dbraw/zinc/66/40/70/672664070.db2.gz HZZSLKVMSDDGSG-QGZVFWFLSA-N 2 2 352.435 0.250 20 0 FCADLP CC(C)[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000874069357 672758095 /nfs/dbraw/zinc/75/80/95/672758095.db2.gz XBVCYXZBWZZKRB-QGZVFWFLSA-N 2 2 371.595 0.445 20 0 FCADLP CN(C(=O)C[NH+]1CCCC1)c1nc(CNC(=O)C[NH+]2CCCC2)cs1 ZINC000874445020 672784257 /nfs/dbraw/zinc/78/42/57/672784257.db2.gz SFLIUJGWQSBPHS-UHFFFAOYSA-N 2 2 365.503 0.914 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1csc(NC(=O)C[NH+]2CCCC2)n1 ZINC000874459940 672786148 /nfs/dbraw/zinc/78/61/48/672786148.db2.gz SAKUMFUNXOVPIB-UHFFFAOYSA-N 2 2 351.476 0.889 20 0 FCADLP CON(C)C(=O)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875909739 672927693 /nfs/dbraw/zinc/92/76/93/672927693.db2.gz QLMIERKDHOQYAR-UKRRQHHQSA-N 2 2 355.483 0.205 20 0 FCADLP CON(C)C(=O)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875909739 672927695 /nfs/dbraw/zinc/92/76/95/672927695.db2.gz QLMIERKDHOQYAR-UKRRQHHQSA-N 2 2 355.483 0.205 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878199351 673046731 /nfs/dbraw/zinc/04/67/31/673046731.db2.gz XZERMSWHIVETAJ-DLBZAZTESA-N 2 2 353.507 0.671 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878199351 673046734 /nfs/dbraw/zinc/04/67/34/673046734.db2.gz XZERMSWHIVETAJ-DLBZAZTESA-N 2 2 353.507 0.671 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878292550 673053205 /nfs/dbraw/zinc/05/32/05/673053205.db2.gz MMNVANNHSGOUND-DLBZAZTESA-N 2 2 353.507 0.847 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878292550 673053206 /nfs/dbraw/zinc/05/32/06/673053206.db2.gz MMNVANNHSGOUND-DLBZAZTESA-N 2 2 353.507 0.847 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879228065 673106080 /nfs/dbraw/zinc/10/60/80/673106080.db2.gz SMZVUBYRENYHOD-INIZCTEOSA-N 2 2 359.511 0.993 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879228065 673106083 /nfs/dbraw/zinc/10/60/83/673106083.db2.gz SMZVUBYRENYHOD-INIZCTEOSA-N 2 2 359.511 0.993 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCO1 ZINC001051729097 676109683 /nfs/dbraw/zinc/10/96/83/676109683.db2.gz GTWFMBBAHTXJPU-ZACQAIPSSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000883472673 673378209 /nfs/dbraw/zinc/37/82/09/673378209.db2.gz GZJFIDMVGVKZFM-RDJZCZTQSA-N 2 2 353.488 0.683 20 0 FCADLP O=C(OCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000800218520 673423536 /nfs/dbraw/zinc/42/35/36/673423536.db2.gz UMMZOKDMWABFSW-MRXNPFEDSA-N 2 2 353.463 0.196 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774438 673480846 /nfs/dbraw/zinc/48/08/46/673480846.db2.gz LCCJDWRCPSZNSR-OAGGEKHMSA-N 2 2 356.511 0.578 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774438 673480847 /nfs/dbraw/zinc/48/08/47/673480847.db2.gz LCCJDWRCPSZNSR-OAGGEKHMSA-N 2 2 356.511 0.578 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000884977291 673495611 /nfs/dbraw/zinc/49/56/11/673495611.db2.gz OLCXCGZKGMBHPQ-AWEZNQCLSA-N 2 2 363.487 0.058 20 0 FCADLP COC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000886904089 673609742 /nfs/dbraw/zinc/60/97/42/673609742.db2.gz OGNNHBJTNDISFG-JKSUJKDBSA-N 2 2 357.495 0.245 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000890168704 673709847 /nfs/dbraw/zinc/70/98/47/673709847.db2.gz KUSHOONWCUDVGQ-BZUAXINKSA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000890168704 673709848 /nfs/dbraw/zinc/70/98/48/673709848.db2.gz KUSHOONWCUDVGQ-BZUAXINKSA-N 2 2 374.551 0.620 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925590811 673794928 /nfs/dbraw/zinc/79/49/28/673794928.db2.gz UZJJZPNESHQKHC-GCDKYVQMSA-N 2 2 365.499 0.697 20 0 FCADLP O=S(=O)(c1ccccc1)N1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925590247 673794950 /nfs/dbraw/zinc/79/49/50/673794950.db2.gz GIPWOFOUUSHMIK-INIZCTEOSA-N 2 2 353.488 0.665 20 0 FCADLP O=S(=O)(NCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(F)cc1F ZINC000925662929 673798720 /nfs/dbraw/zinc/79/87/20/673798720.db2.gz PFVJDCXMGBJDCP-JHGYYSDHSA-N 2 2 357.426 0.829 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927634913 673871825 /nfs/dbraw/zinc/87/18/25/673871825.db2.gz ASMHDYQVTVDUPA-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927634913 673871827 /nfs/dbraw/zinc/87/18/27/673871827.db2.gz ASMHDYQVTVDUPA-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634008 673871968 /nfs/dbraw/zinc/87/19/68/673871968.db2.gz QXISGJHVFJGPNP-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634008 673871970 /nfs/dbraw/zinc/87/19/70/673871970.db2.gz QXISGJHVFJGPNP-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634008 673871972 /nfs/dbraw/zinc/87/19/72/673871972.db2.gz QXISGJHVFJGPNP-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[C@H](C)CO1 ZINC000927634008 673871975 /nfs/dbraw/zinc/87/19/75/673871975.db2.gz QXISGJHVFJGPNP-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000930335925 674013722 /nfs/dbraw/zinc/01/37/22/674013722.db2.gz CVSMQYPFLABHDG-CABCVRRESA-N 2 2 352.866 0.879 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000930335925 674013725 /nfs/dbraw/zinc/01/37/25/674013725.db2.gz CVSMQYPFLABHDG-CABCVRRESA-N 2 2 352.866 0.879 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001045044035 675649745 /nfs/dbraw/zinc/64/97/45/675649745.db2.gz RELYZSFDQVTSJW-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001045044035 675649747 /nfs/dbraw/zinc/64/97/47/675649747.db2.gz RELYZSFDQVTSJW-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncc(Cl)n2C)O1 ZINC001045091454 675650379 /nfs/dbraw/zinc/65/03/79/675650379.db2.gz WYSFLWRPDWJMNE-HZSPNIEDSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ncc(Cl)n2C)O1 ZINC001045091454 675650380 /nfs/dbraw/zinc/65/03/80/675650380.db2.gz WYSFLWRPDWJMNE-HZSPNIEDSA-N 2 2 369.897 0.873 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045130440 675651019 /nfs/dbraw/zinc/65/10/19/675651019.db2.gz NORVDGYLSVSDDT-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000900784253 675715968 /nfs/dbraw/zinc/71/59/68/675715968.db2.gz SNYVTMHXJMFSFH-HOTGVXAUSA-N 2 2 355.479 0.346 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000900784253 675715970 /nfs/dbraw/zinc/71/59/70/675715970.db2.gz SNYVTMHXJMFSFH-HOTGVXAUSA-N 2 2 355.479 0.346 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000969123538 1167733389 /nfs/dbraw/zinc/73/33/89/1167733389.db2.gz LILIHIPHFRXNQQ-LVQVYYBASA-N 2 2 359.474 0.803 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000969123538 1167733399 /nfs/dbraw/zinc/73/33/99/1167733399.db2.gz LILIHIPHFRXNQQ-LVQVYYBASA-N 2 2 359.474 0.803 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428271 1167924184 /nfs/dbraw/zinc/92/41/84/1167924184.db2.gz RSLYPKFPDNXMDU-FRFSOERESA-N 2 2 361.490 0.669 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428271 1167924191 /nfs/dbraw/zinc/92/41/91/1167924191.db2.gz RSLYPKFPDNXMDU-FRFSOERESA-N 2 2 361.490 0.669 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21)[NH+](C)C ZINC001083195937 1168370771 /nfs/dbraw/zinc/37/07/71/1168370771.db2.gz XCRBFYNPMHVVOU-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21)[NH+](C)C ZINC001083195937 1168370781 /nfs/dbraw/zinc/37/07/81/1168370781.db2.gz XCRBFYNPMHVVOU-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605250 1192307396 /nfs/dbraw/zinc/30/73/96/1192307396.db2.gz MSKZXBHMLOGCJD-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605250 1192307402 /nfs/dbraw/zinc/30/74/02/1192307402.db2.gz MSKZXBHMLOGCJD-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605250 1192307407 /nfs/dbraw/zinc/30/74/07/1192307407.db2.gz MSKZXBHMLOGCJD-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605250 1192307414 /nfs/dbraw/zinc/30/74/14/1192307414.db2.gz MSKZXBHMLOGCJD-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001167270887 1168482730 /nfs/dbraw/zinc/48/27/30/1168482730.db2.gz DRSWRNOAHUNYRU-KFWWJZLASA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ncccn2)O1 ZINC001021297666 1168963745 /nfs/dbraw/zinc/96/37/45/1168963745.db2.gz RSDKKALFRYPBDT-AKBNIOSXSA-N 2 2 359.474 0.807 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ncccn2)O1 ZINC001021297666 1168963760 /nfs/dbraw/zinc/96/37/60/1168963760.db2.gz RSDKKALFRYPBDT-AKBNIOSXSA-N 2 2 359.474 0.807 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncccn2)O1 ZINC001021297666 1168963791 /nfs/dbraw/zinc/96/37/91/1168963791.db2.gz RSDKKALFRYPBDT-AKBNIOSXSA-N 2 2 359.474 0.807 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ncccn2)O1 ZINC001021297666 1168963817 /nfs/dbraw/zinc/96/38/17/1168963817.db2.gz RSDKKALFRYPBDT-AKBNIOSXSA-N 2 2 359.474 0.807 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnnn2C)O1 ZINC001021298111 1168964006 /nfs/dbraw/zinc/96/40/06/1168964006.db2.gz WWFITQUJAIBOJX-CRTWOITFSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnnn2C)O1 ZINC001021298111 1168964038 /nfs/dbraw/zinc/96/40/38/1168964038.db2.gz WWFITQUJAIBOJX-CRTWOITFSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnnn2C)O1 ZINC001021298111 1168964074 /nfs/dbraw/zinc/96/40/74/1168964074.db2.gz WWFITQUJAIBOJX-CRTWOITFSA-N 2 2 362.478 0.146 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnnn2C)O1 ZINC001021298111 1168964099 /nfs/dbraw/zinc/96/40/99/1168964099.db2.gz WWFITQUJAIBOJX-CRTWOITFSA-N 2 2 362.478 0.146 20 0 FCADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000891010949 1169002959 /nfs/dbraw/zinc/00/29/59/1169002959.db2.gz DFUQSKPRNNBXOS-UHFFFAOYSA-N 2 2 373.501 0.930 20 0 FCADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000891010949 1169002970 /nfs/dbraw/zinc/00/29/70/1169002970.db2.gz DFUQSKPRNNBXOS-UHFFFAOYSA-N 2 2 373.501 0.930 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486554 1169097886 /nfs/dbraw/zinc/09/78/86/1169097886.db2.gz ZDABTHSBZYDVHE-KXBFYZLASA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC001021489456 1169463889 /nfs/dbraw/zinc/46/38/89/1169463889.db2.gz VZALNGZYGHYBSU-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC001021489456 1169463894 /nfs/dbraw/zinc/46/38/94/1169463894.db2.gz VZALNGZYGHYBSU-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001021662633 1169869793 /nfs/dbraw/zinc/86/97/93/1169869793.db2.gz MFGYXSMGJJTLGZ-YESZJQIVSA-N 2 2 359.474 0.989 20 0 FCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141282 1170007300 /nfs/dbraw/zinc/00/73/00/1170007300.db2.gz HJSQOVXIIRFGQX-FHLIZLRMSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141282 1170007306 /nfs/dbraw/zinc/00/73/06/1170007306.db2.gz HJSQOVXIIRFGQX-FHLIZLRMSA-N 2 2 363.506 0.776 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988717986 1192401700 /nfs/dbraw/zinc/40/17/00/1192401700.db2.gz OFHWEHBDRMYLHC-INMHGKMJSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000123963355 1170216816 /nfs/dbraw/zinc/21/68/16/1170216816.db2.gz FUCICMVYYCYTBP-QFBILLFUSA-N 2 2 360.502 0.883 20 0 FCADLP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000123963355 1170216817 /nfs/dbraw/zinc/21/68/17/1170216817.db2.gz FUCICMVYYCYTBP-QFBILLFUSA-N 2 2 360.502 0.883 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1)C1CC1 ZINC001021937374 1170324738 /nfs/dbraw/zinc/32/47/38/1170324738.db2.gz IGVPTCMPMGRVCZ-LESCRADOSA-N 2 2 359.474 0.742 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1)C1CC1 ZINC001021937374 1170324746 /nfs/dbraw/zinc/32/47/46/1170324746.db2.gz IGVPTCMPMGRVCZ-LESCRADOSA-N 2 2 359.474 0.742 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021938348 1170325139 /nfs/dbraw/zinc/32/51/39/1170325139.db2.gz RACDTJROCVYAFT-RYQLBKOJSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021938348 1170325142 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/nfs/dbraw/zinc/45/51/18/1170455118.db2.gz RFCZFMXJCMZYAO-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104364086 1170491629 /nfs/dbraw/zinc/49/16/29/1170491629.db2.gz WLHDPWWWHAYRJJ-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1)[NH+](C)C ZINC001022212442 1170751472 /nfs/dbraw/zinc/75/14/72/1170751472.db2.gz DYYRPZPIWTUBGQ-LESCRADOSA-N 2 2 361.490 0.608 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022216272 1170763553 /nfs/dbraw/zinc/76/35/53/1170763553.db2.gz MOPQZEKQIZCORI-LSDHHAIUSA-N 2 2 357.458 0.497 20 0 FCADLP COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001022231380 1170789835 /nfs/dbraw/zinc/78/98/35/1170789835.db2.gz VDGKRDFNWWEYBU-ZMJPVWNMSA-N 2 2 358.398 0.912 20 0 FCADLP COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001022231380 1170789846 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YXNMANXIFXBLAI-RBUKOAKNSA-N 2 2 359.470 0.821 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001022313631 1170849084 /nfs/dbraw/zinc/84/90/84/1170849084.db2.gz UOJSHNMMBNDVAZ-DOTOQJQBSA-N 2 2 371.485 0.948 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001022314118 1170849093 /nfs/dbraw/zinc/84/90/93/1170849093.db2.gz DJVOOLGCWSJXPF-YXJHDRRASA-N 2 2 359.474 0.660 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022315300 1170850073 /nfs/dbraw/zinc/85/00/73/1170850073.db2.gz ZTFOBURBNYAWEV-LZLYRXPVSA-N 2 2 371.485 0.662 20 0 FCADLP COc1coc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cc1=O ZINC001691253924 1170891885 /nfs/dbraw/zinc/89/18/85/1170891885.db2.gz VOWDOBZNJPRXEJ-QWHCGFSZSA-N 2 2 360.414 0.989 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001022390544 1170962100 /nfs/dbraw/zinc/96/21/00/1170962100.db2.gz INNLQHXHMHNAJN-DOTOQJQBSA-N 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C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC[N@H+]1C ZINC001022471953 1171251759 /nfs/dbraw/zinc/25/17/59/1171251759.db2.gz CPKXSPPMUGUJJV-QBYUYEEZSA-N 2 2 359.474 0.742 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001022472925 1171253090 /nfs/dbraw/zinc/25/30/90/1171253090.db2.gz FPIQYBMBEZPXES-SFFUCWETSA-N 2 2 367.490 0.140 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000971960816 1171461108 /nfs/dbraw/zinc/46/11/08/1171461108.db2.gz OHPHQMZTUHVUSA-IXDOHACOSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@@H+]1C ZINC000971966495 1171470471 /nfs/dbraw/zinc/47/04/71/1171470471.db2.gz WSPGPNBQLTVIOC-KLHDSHLOSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@H+]1C ZINC000971966495 1171470480 /nfs/dbraw/zinc/47/04/80/1171470480.db2.gz WSPGPNBQLTVIOC-KLHDSHLOSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087196423 1171516727 /nfs/dbraw/zinc/51/67/27/1171516727.db2.gz OAWTUIAMXZHJNV-QLFBSQMISA-N 2 2 361.446 0.295 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@@H]32)CC1 ZINC001083237996 1171603589 /nfs/dbraw/zinc/60/35/89/1171603589.db2.gz HBEXKNINHUVEJS-DLBZAZTESA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]32)CC1 ZINC001083237996 1171603595 /nfs/dbraw/zinc/60/35/95/1171603595.db2.gz HBEXKNINHUVEJS-DLBZAZTESA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnon2)C1 ZINC001087204770 1171760060 /nfs/dbraw/zinc/76/00/60/1171760060.db2.gz MOHQPCOADFBPGS-PVAVHDDUSA-N 2 2 365.478 0.896 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnon2)C1 ZINC001087204770 1171760073 /nfs/dbraw/zinc/76/00/73/1171760073.db2.gz MOHQPCOADFBPGS-PVAVHDDUSA-N 2 2 365.478 0.896 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CN(Cc2c[nH+]cn2C)CCO3)CC[N@@H+]1C ZINC000972389403 1172071480 /nfs/dbraw/zinc/07/14/80/1172071480.db2.gz MPBCSEBGSHGSAO-SUMDDJOVSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CN(Cc2c[nH+]cn2C)CCO3)CC[N@H+]1C ZINC000972389403 1172071495 /nfs/dbraw/zinc/07/14/95/1172071495.db2.gz MPBCSEBGSHGSAO-SUMDDJOVSA-N 2 2 361.490 0.564 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001083460723 1192503400 /nfs/dbraw/zinc/50/34/00/1192503400.db2.gz VMGFFNDYIXPCOR-PMPSAXMXSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001083460723 1192503404 /nfs/dbraw/zinc/50/34/04/1192503404.db2.gz VMGFFNDYIXPCOR-PMPSAXMXSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)Cc1c[nH+]cn1C ZINC000989023504 1192629402 /nfs/dbraw/zinc/62/94/02/1192629402.db2.gz DPIXCBKYVNZUNB-ZBFHGGJFSA-N 2 2 359.474 0.697 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000989054353 1192664028 /nfs/dbraw/zinc/66/40/28/1192664028.db2.gz PAPABMLAXSTVJF-PVAVHDDUSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000989054353 1192664031 /nfs/dbraw/zinc/66/40/31/1192664031.db2.gz PAPABMLAXSTVJF-PVAVHDDUSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000989062365 1192667636 /nfs/dbraw/zinc/66/76/36/1192667636.db2.gz VNIOIIKQBJNGTM-FMKPAKJESA-N 2 2 359.474 0.790 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000989062365 1192667639 /nfs/dbraw/zinc/66/76/39/1192667639.db2.gz VNIOIIKQBJNGTM-FMKPAKJESA-N 2 2 359.474 0.790 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272166183 1192682685 /nfs/dbraw/zinc/68/26/85/1192682685.db2.gz CCAJWVDCHATLKC-IXDOHACOSA-N 2 2 357.458 0.638 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272167078 1192683999 /nfs/dbraw/zinc/68/39/99/1192683999.db2.gz VEFSMIJLBJVKKQ-MRXNPFEDSA-N 2 2 357.458 0.497 20 0 FCADLP COc1ncccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659346 1192806430 /nfs/dbraw/zinc/80/64/30/1192806430.db2.gz PDXXSGDIIWDWII-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1ncccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659346 1192806431 /nfs/dbraw/zinc/80/64/31/1192806431.db2.gz PDXXSGDIIWDWII-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659346 1192806433 /nfs/dbraw/zinc/80/64/33/1192806433.db2.gz PDXXSGDIIWDWII-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088659346 1192806435 /nfs/dbraw/zinc/80/64/35/1192806435.db2.gz PDXXSGDIIWDWII-TXCZRRACSA-N 2 2 362.474 0.888 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088674694 1192816856 /nfs/dbraw/zinc/81/68/56/1192816856.db2.gz UJYNIXCFDBDOBP-KYJSFNMBSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088674694 1192816857 /nfs/dbraw/zinc/81/68/57/1192816857.db2.gz UJYNIXCFDBDOBP-KYJSFNMBSA-N 2 2 369.469 0.923 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842052865 1192863766 /nfs/dbraw/zinc/86/37/66/1192863766.db2.gz WUIVUXFISNIGJW-GPMSIDNRSA-N 2 2 364.490 0.101 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH+]cn2C)nn1 ZINC001087236107 1179044524 /nfs/dbraw/zinc/04/45/24/1179044524.db2.gz IDSRWSIJXKQADC-PBHICJAKSA-N 2 2 359.478 0.991 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001087241457 1179672388 /nfs/dbraw/zinc/67/23/88/1179672388.db2.gz XFJJVUSCQJQPRC-PBHICJAKSA-N 2 2 359.478 0.898 20 0 FCADLP COCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023505794 1179822897 /nfs/dbraw/zinc/82/28/97/1179822897.db2.gz CWDSJQVYXPVADB-KSZLIROESA-N 2 2 369.506 0.341 20 0 FCADLP COCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023505794 1179822898 /nfs/dbraw/zinc/82/28/98/1179822898.db2.gz CWDSJQVYXPVADB-KSZLIROESA-N 2 2 369.506 0.341 20 0 FCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691455570 1180028566 /nfs/dbraw/zinc/02/85/66/1180028566.db2.gz DWEKWXUHGPXQPD-SFFUCWETSA-N 2 2 369.506 0.386 20 0 FCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691455569 1180028607 /nfs/dbraw/zinc/02/86/07/1180028607.db2.gz DWEKWXUHGPXQPD-AVEIZBFRSA-N 2 2 369.506 0.386 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21)[NH+](C)C ZINC000972666275 1180223473 /nfs/dbraw/zinc/22/34/73/1180223473.db2.gz XYOUALPBZYNNBP-KYJSFNMBSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21)[NH+](C)C ZINC000972666275 1180223480 /nfs/dbraw/zinc/22/34/80/1180223480.db2.gz XYOUALPBZYNNBP-KYJSFNMBSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCCS(C)(=O)=O ZINC001691482558 1180590895 /nfs/dbraw/zinc/59/08/95/1180590895.db2.gz MEIOSEUDEBOQCD-ARFHVFGLSA-N 2 2 359.536 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCCS(C)(=O)=O ZINC001691482558 1180590921 /nfs/dbraw/zinc/59/09/21/1180590921.db2.gz MEIOSEUDEBOQCD-ARFHVFGLSA-N 2 2 359.536 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001691482558 1180590950 /nfs/dbraw/zinc/59/09/50/1180590950.db2.gz MEIOSEUDEBOQCD-ARFHVFGLSA-N 2 2 359.536 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001691482558 1180590980 /nfs/dbraw/zinc/59/09/80/1180590980.db2.gz MEIOSEUDEBOQCD-ARFHVFGLSA-N 2 2 359.536 0.875 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024035712 1180805024 /nfs/dbraw/zinc/80/50/24/1180805024.db2.gz AAOLFOMDGKEMNY-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024035712 1180805025 /nfs/dbraw/zinc/80/50/25/1180805025.db2.gz AAOLFOMDGKEMNY-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000972829845 1180877159 /nfs/dbraw/zinc/87/71/59/1180877159.db2.gz JHMJSZVZCMCCLT-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000972856915 1180903310 /nfs/dbraw/zinc/90/33/10/1180903310.db2.gz ZUSCFDOQECTWIU-HZPDHXFCSA-N 2 2 371.485 0.888 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001024492610 1181240505 /nfs/dbraw/zinc/24/05/05/1181240505.db2.gz GNIAUBOWBGCDRU-IAGOWNOFSA-N 2 2 371.441 0.206 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC001024652916 1181442215 /nfs/dbraw/zinc/44/22/15/1181442215.db2.gz YEFNROZNQOSZIT-ARFHVFGLSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC001024652916 1181442219 /nfs/dbraw/zinc/44/22/19/1181442219.db2.gz YEFNROZNQOSZIT-ARFHVFGLSA-N 2 2 357.462 0.786 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001024778569 1181587654 /nfs/dbraw/zinc/58/76/54/1181587654.db2.gz YDDVADMPUYBYQX-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)C1 ZINC001024778569 1181587669 /nfs/dbraw/zinc/58/76/69/1181587669.db2.gz YDDVADMPUYBYQX-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP Cn1nnnc1CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892521702 1181721358 /nfs/dbraw/zinc/72/13/58/1181721358.db2.gz BUHUPKARDVRZIK-UHFFFAOYSA-N 2 2 364.498 0.001 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083274890 1181775139 /nfs/dbraw/zinc/77/51/39/1181775139.db2.gz DZFUYKJLUCCQCS-IXDOHACOSA-N 2 2 364.490 0.003 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)C1=O ZINC001083274890 1181775144 /nfs/dbraw/zinc/77/51/44/1181775144.db2.gz DZFUYKJLUCCQCS-IXDOHACOSA-N 2 2 364.490 0.003 20 0 FCADLP Cc1ccnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001024998601 1181843145 /nfs/dbraw/zinc/84/31/45/1181843145.db2.gz GPPAIQNSUTUKSE-BRWVUGGUSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ccnc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001024998601 1181843147 /nfs/dbraw/zinc/84/31/47/1181843147.db2.gz GPPAIQNSUTUKSE-BRWVUGGUSA-N 2 2 361.490 0.975 20 0 FCADLP O=C(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659261931 1182108022 /nfs/dbraw/zinc/10/80/22/1182108022.db2.gz CZPHYAIBMNQOHF-KRWDZBQOSA-N 2 2 368.441 0.790 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973330665 1182240434 /nfs/dbraw/zinc/24/04/34/1182240434.db2.gz ULCSSLSBJUJJPV-DTZQCDIJSA-N 2 2 360.458 0.736 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973330665 1182240435 /nfs/dbraw/zinc/24/04/35/1182240435.db2.gz ULCSSLSBJUJJPV-DTZQCDIJSA-N 2 2 360.458 0.736 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1CC[NH2+]CCOCCO ZINC001104665043 1182346704 /nfs/dbraw/zinc/34/67/04/1182346704.db2.gz ICHDMVDKVSLNIE-OAGGEKHMSA-N 2 2 364.490 0.913 20 0 FCADLP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001104699361 1182379631 /nfs/dbraw/zinc/37/96/31/1182379631.db2.gz PCVWCWWMHGBWNY-KLHDSHLOSA-N 2 2 361.490 0.734 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]CCOCCO ZINC001104699208 1182379650 /nfs/dbraw/zinc/37/96/50/1182379650.db2.gz HBQATDQIPMEPPG-QBPKDAKJSA-N 2 2 364.490 0.607 20 0 FCADLP 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/nfs/dbraw/zinc/24/28/77/1186242877.db2.gz YWYOMMVENOZQRQ-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)N2CCCCC2)O1 ZINC001027966967 1186242884 /nfs/dbraw/zinc/24/28/84/1186242884.db2.gz YWYOMMVENOZQRQ-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)O1 ZINC001027966967 1186242889 /nfs/dbraw/zinc/24/28/89/1186242889.db2.gz YWYOMMVENOZQRQ-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCCCC2)O1 ZINC001027966967 1186242896 /nfs/dbraw/zinc/24/28/96/1186242896.db2.gz YWYOMMVENOZQRQ-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001028145750 1186553458 /nfs/dbraw/zinc/55/34/58/1186553458.db2.gz PLUAGPRDROBBIB-RRFJBIMHSA-N 2 2 360.462 0.129 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028145750 1186553462 /nfs/dbraw/zinc/55/34/62/1186553462.db2.gz PLUAGPRDROBBIB-RRFJBIMHSA-N 2 2 360.462 0.129 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021972 1186630032 /nfs/dbraw/zinc/63/00/32/1186630032.db2.gz OCDJBYUWVCHSAA-HUUCEWRRSA-N 2 2 359.474 0.536 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982021972 1186630033 /nfs/dbraw/zinc/63/00/33/1186630033.db2.gz OCDJBYUWVCHSAA-HUUCEWRRSA-N 2 2 359.474 0.536 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713846 1186699205 /nfs/dbraw/zinc/69/92/05/1186699205.db2.gz VVFPMTUMNBOMSP-UWWQBHOKSA-N 2 2 369.469 0.979 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443568 1187521415 /nfs/dbraw/zinc/52/14/15/1187521415.db2.gz UCPLYOQNRDQQAH-QZTJIDSGSA-N 2 2 369.469 0.912 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001087443568 1187521418 /nfs/dbraw/zinc/52/14/18/1187521418.db2.gz UCPLYOQNRDQQAH-QZTJIDSGSA-N 2 2 369.469 0.912 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001112121323 1187552387 /nfs/dbraw/zinc/55/23/87/1187552387.db2.gz HEHFQCXYPVREFU-ZWNOBZJWSA-N 2 2 369.347 0.901 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643941 1187567977 /nfs/dbraw/zinc/56/79/77/1187567977.db2.gz QGNCPURLCHKALY-XHSDSOJGSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643941 1187567984 /nfs/dbraw/zinc/56/79/84/1187567984.db2.gz QGNCPURLCHKALY-XHSDSOJGSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643941 1187567988 /nfs/dbraw/zinc/56/79/88/1187567988.db2.gz QGNCPURLCHKALY-XHSDSOJGSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643941 1187567995 /nfs/dbraw/zinc/56/79/95/1187567995.db2.gz QGNCPURLCHKALY-XHSDSOJGSA-N 2 2 363.462 0.174 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982570729 1187584376 /nfs/dbraw/zinc/58/43/76/1187584376.db2.gz DQEGYJXHCSHXCL-TUYGXSOUSA-N 2 2 371.485 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H]3CCNC3=O)C[C@]2(C)C1 ZINC000982570729 1187584380 /nfs/dbraw/zinc/58/43/80/1187584380.db2.gz DQEGYJXHCSHXCL-TUYGXSOUSA-N 2 2 371.485 0.583 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373143 1187695168 /nfs/dbraw/zinc/69/51/68/1187695168.db2.gz TVRQWTGAPAYPQS-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373143 1187695179 /nfs/dbraw/zinc/69/51/79/1187695179.db2.gz TVRQWTGAPAYPQS-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373143 1187695188 /nfs/dbraw/zinc/69/51/88/1187695188.db2.gz TVRQWTGAPAYPQS-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373143 1187695201 /nfs/dbraw/zinc/69/52/01/1187695201.db2.gz TVRQWTGAPAYPQS-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385545 1187714403 /nfs/dbraw/zinc/71/44/03/1187714403.db2.gz RCKBUMFMJSMGTL-QYZOEREBSA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385545 1187714408 /nfs/dbraw/zinc/71/44/08/1187714408.db2.gz RCKBUMFMJSMGTL-QYZOEREBSA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385545 1187714414 /nfs/dbraw/zinc/71/44/14/1187714414.db2.gz RCKBUMFMJSMGTL-QYZOEREBSA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385545 1187714420 /nfs/dbraw/zinc/71/44/20/1187714420.db2.gz RCKBUMFMJSMGTL-QYZOEREBSA-N 2 2 361.486 0.604 20 0 FCADLP C[NH+](C)C1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000158824878 1187736769 /nfs/dbraw/zinc/73/67/69/1187736769.db2.gz BQCCDFKULVNJJN-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000333444755 1187742683 /nfs/dbraw/zinc/74/26/83/1187742683.db2.gz MNPBBNXNDNCKRS-MRXNPFEDSA-N 2 2 364.494 1.021 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000333444755 1187742686 /nfs/dbraw/zinc/74/26/86/1187742686.db2.gz MNPBBNXNDNCKRS-MRXNPFEDSA-N 2 2 364.494 1.021 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607495 1187747918 /nfs/dbraw/zinc/74/79/18/1187747918.db2.gz SKJXTFITKFZAOK-MGPQQGTHSA-N 2 2 359.430 0.100 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607495 1187747921 /nfs/dbraw/zinc/74/79/21/1187747921.db2.gz SKJXTFITKFZAOK-MGPQQGTHSA-N 2 2 359.430 0.100 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607495 1187747923 /nfs/dbraw/zinc/74/79/23/1187747923.db2.gz SKJXTFITKFZAOK-MGPQQGTHSA-N 2 2 359.430 0.100 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607495 1187747928 /nfs/dbraw/zinc/74/79/28/1187747928.db2.gz SKJXTFITKFZAOK-MGPQQGTHSA-N 2 2 359.430 0.100 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC[N@@H+]1C ZINC001059096502 1187840487 /nfs/dbraw/zinc/84/04/87/1187840487.db2.gz HGGUJGYXEVOVGP-SOUVJXGZSA-N 2 2 361.494 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC[N@H+]1C ZINC001059096502 1187840488 /nfs/dbraw/zinc/84/04/88/1187840488.db2.gz HGGUJGYXEVOVGP-SOUVJXGZSA-N 2 2 361.494 0.989 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000983226725 1187854327 /nfs/dbraw/zinc/85/43/27/1187854327.db2.gz CDILIWYIFUGKDI-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000983226725 1187854330 /nfs/dbraw/zinc/85/43/30/1187854330.db2.gz CDILIWYIFUGKDI-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001028810003 1187906796 /nfs/dbraw/zinc/90/67/96/1187906796.db2.gz SUMUDQITMBWWGO-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001028810003 1187906801 /nfs/dbraw/zinc/90/68/01/1187906801.db2.gz SUMUDQITMBWWGO-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP CN(CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc2ccccc2[nH]1)C(N)=[NH2+] ZINC001269992569 1187962445 /nfs/dbraw/zinc/96/24/45/1187962445.db2.gz PTHZBUNPHHQFLP-GJZGRUSLSA-N 2 2 355.446 0.563 20 0 FCADLP CN(CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nc2ccccc2[nH]1)C(N)=[NH2+] ZINC001269992569 1187962451 /nfs/dbraw/zinc/96/24/51/1187962451.db2.gz PTHZBUNPHHQFLP-GJZGRUSLSA-N 2 2 355.446 0.563 20 0 FCADLP CN(CC(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21)C(N)=[NH2+] ZINC001269992823 1187962489 /nfs/dbraw/zinc/96/24/89/1187962489.db2.gz ZUQQIHNTUDVJPY-SWLSCSKDSA-N 2 2 355.446 0.421 20 0 FCADLP CN(CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21)C(N)=[NH2+] ZINC001269992823 1187962491 /nfs/dbraw/zinc/96/24/91/1187962491.db2.gz ZUQQIHNTUDVJPY-SWLSCSKDSA-N 2 2 355.446 0.421 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001270358765 1188118386 /nfs/dbraw/zinc/11/83/86/1188118386.db2.gz PHUIDAFYWMKNRK-MRXNPFEDSA-N 2 2 361.490 0.970 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001270358763 1188118696 /nfs/dbraw/zinc/11/86/96/1188118696.db2.gz PHUIDAFYWMKNRK-INIZCTEOSA-N 2 2 361.490 0.970 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001270488265 1188170147 /nfs/dbraw/zinc/17/01/47/1188170147.db2.gz BAIJLFYURIAGTQ-GOEBONIOSA-N 2 2 359.474 0.617 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001270488265 1188170154 /nfs/dbraw/zinc/17/01/54/1188170154.db2.gz BAIJLFYURIAGTQ-GOEBONIOSA-N 2 2 359.474 0.617 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001270488267 1188170217 /nfs/dbraw/zinc/17/02/17/1188170217.db2.gz BAIJLFYURIAGTQ-HOCLYGCPSA-N 2 2 359.474 0.617 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001270488267 1188170222 /nfs/dbraw/zinc/17/02/22/1188170222.db2.gz BAIJLFYURIAGTQ-HOCLYGCPSA-N 2 2 359.474 0.617 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[C@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491728 1188172557 /nfs/dbraw/zinc/17/25/57/1188172557.db2.gz XDMMVMRRIZJTLQ-CVEARBPZSA-N 2 2 359.474 0.580 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[C@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491728 1188172561 /nfs/dbraw/zinc/17/25/61/1188172561.db2.gz XDMMVMRRIZJTLQ-CVEARBPZSA-N 2 2 359.474 0.580 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270491125 1188172823 /nfs/dbraw/zinc/17/28/23/1188172823.db2.gz VFFRRMLDTAPVAI-DNVCBOLYSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270491125 1188172831 /nfs/dbraw/zinc/17/28/31/1188172831.db2.gz VFFRRMLDTAPVAI-DNVCBOLYSA-N 2 2 359.474 0.855 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cccc5[nH+]ccn54)CC3)[C@H]2C1 ZINC001270496585 1188176682 /nfs/dbraw/zinc/17/66/82/1188176682.db2.gz PNSVHYVQPVNBFP-KBPBESRZSA-N 2 2 353.426 0.617 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4cccc5[nH+]ccn54)CC3)[C@H]2C1 ZINC001270496585 1188176684 /nfs/dbraw/zinc/17/66/84/1188176684.db2.gz PNSVHYVQPVNBFP-KBPBESRZSA-N 2 2 353.426 0.617 20 0 FCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(-c2cccnc2)n1 ZINC000894468848 1188221483 /nfs/dbraw/zinc/22/14/83/1188221483.db2.gz FRKCBZNKJZKBHX-LJQANCHMSA-N 2 2 373.457 0.664 20 0 FCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(-c2cccnc2)n1 ZINC000894468848 1188221488 /nfs/dbraw/zinc/22/14/88/1188221488.db2.gz FRKCBZNKJZKBHX-LJQANCHMSA-N 2 2 373.457 0.664 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001270668231 1188250071 /nfs/dbraw/zinc/25/00/71/1188250071.db2.gz USMRWVLAIYRQNU-KRWDZBQOSA-N 2 2 355.442 0.633 20 0 FCADLP COCCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC000983708682 1188277675 /nfs/dbraw/zinc/27/76/75/1188277675.db2.gz MGZCRMIICKEUKF-KBUPBQIOSA-N 2 2 365.478 0.583 20 0 FCADLP COCCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC000983708682 1188277680 /nfs/dbraw/zinc/27/76/80/1188277680.db2.gz MGZCRMIICKEUKF-KBUPBQIOSA-N 2 2 365.478 0.583 20 0 FCADLP CCc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984013613 1189373129 /nfs/dbraw/zinc/37/31/29/1189373129.db2.gz JISZFOADUWMEDQ-XLWJZTARSA-N 2 2 364.494 0.632 20 0 FCADLP CCc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984013613 1189373131 /nfs/dbraw/zinc/37/31/31/1189373131.db2.gz JISZFOADUWMEDQ-XLWJZTARSA-N 2 2 364.494 0.632 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CC[NH+]1CCCC1 ZINC001271060820 1189545810 /nfs/dbraw/zinc/54/58/10/1189545810.db2.gz BZVGOMPSKNQYII-IAGOWNOFSA-N 2 2 359.474 0.998 20 0 FCADLP O=C(CC[NH+]1CCCC1)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001271061223 1189547483 /nfs/dbraw/zinc/54/74/83/1189547483.db2.gz JJJSVHWHUJGONU-IAGOWNOFSA-N 2 2 359.474 0.961 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2CC)CC[NH+]1C ZINC001087578892 1189618374 /nfs/dbraw/zinc/61/83/74/1189618374.db2.gz VSXYVMOWKDHUTF-BYNSBNAKSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2CC)CC[NH+]1C ZINC001087578892 1189618385 /nfs/dbraw/zinc/61/83/85/1189618385.db2.gz VSXYVMOWKDHUTF-BYNSBNAKSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087578892 1189618398 /nfs/dbraw/zinc/61/83/98/1189618398.db2.gz VSXYVMOWKDHUTF-BYNSBNAKSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087578892 1189618411 /nfs/dbraw/zinc/61/84/11/1189618411.db2.gz VSXYVMOWKDHUTF-BYNSBNAKSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+]1CCCO ZINC001087668352 1189712948 /nfs/dbraw/zinc/71/29/48/1189712948.db2.gz RLYAUMHIJHWJRL-XDNAFOTISA-N 2 2 369.506 0.218 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+]1CCCO ZINC001087668352 1189712956 /nfs/dbraw/zinc/71/29/56/1189712956.db2.gz RLYAUMHIJHWJRL-XDNAFOTISA-N 2 2 369.506 0.218 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087700531 1189776813 /nfs/dbraw/zinc/77/68/13/1189776813.db2.gz PCSUXLPLXOEBDT-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087700531 1189776833 /nfs/dbraw/zinc/77/68/33/1189776833.db2.gz PCSUXLPLXOEBDT-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CC(=O)NC1CC1 ZINC001087700531 1189776853 /nfs/dbraw/zinc/77/68/53/1189776853.db2.gz PCSUXLPLXOEBDT-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CC(=O)NC1CC1 ZINC001087700531 1189776875 /nfs/dbraw/zinc/77/68/75/1189776875.db2.gz PCSUXLPLXOEBDT-GVDBMIGSSA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001087810596 1189832402 /nfs/dbraw/zinc/83/24/02/1189832402.db2.gz BQURPWQONSGJRV-YQQAZPJKSA-N 2 2 360.462 0.487 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087810596 1189832403 /nfs/dbraw/zinc/83/24/03/1189832403.db2.gz BQURPWQONSGJRV-YQQAZPJKSA-N 2 2 360.462 0.487 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)Nc1cnccn1 ZINC001087828269 1189841277 /nfs/dbraw/zinc/84/12/77/1189841277.db2.gz FTQGGEORSXNXLX-QLFBSQMISA-N 2 2 360.462 0.336 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)Nc1cnccn1 ZINC001087828269 1189841278 /nfs/dbraw/zinc/84/12/78/1189841278.db2.gz FTQGGEORSXNXLX-QLFBSQMISA-N 2 2 360.462 0.336 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)Nc1cnccn1 ZINC001087828269 1189841280 /nfs/dbraw/zinc/84/12/80/1189841280.db2.gz FTQGGEORSXNXLX-QLFBSQMISA-N 2 2 360.462 0.336 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)Nc1cnccn1 ZINC001087828269 1189841281 /nfs/dbraw/zinc/84/12/81/1189841281.db2.gz FTQGGEORSXNXLX-QLFBSQMISA-N 2 2 360.462 0.336 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920372 1189905314 /nfs/dbraw/zinc/90/53/14/1189905314.db2.gz MUPSMNRRKQXEHU-SOLBZPMBSA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920372 1189905319 /nfs/dbraw/zinc/90/53/19/1189905319.db2.gz MUPSMNRRKQXEHU-SOLBZPMBSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920372 1189905322 /nfs/dbraw/zinc/90/53/22/1189905322.db2.gz MUPSMNRRKQXEHU-SOLBZPMBSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920372 1189905325 /nfs/dbraw/zinc/90/53/25/1189905325.db2.gz MUPSMNRRKQXEHU-SOLBZPMBSA-N 2 2 362.449 0.832 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972122 1190032459 /nfs/dbraw/zinc/03/24/59/1190032459.db2.gz NJDBLMOXXYATAW-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972122 1190032461 /nfs/dbraw/zinc/03/24/61/1190032461.db2.gz NJDBLMOXXYATAW-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972122 1190032465 /nfs/dbraw/zinc/03/24/65/1190032465.db2.gz NJDBLMOXXYATAW-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972122 1190032472 /nfs/dbraw/zinc/03/24/72/1190032472.db2.gz NJDBLMOXXYATAW-LTIDMASMSA-N 2 2 360.506 0.826 20 0 FCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973441 1190033857 /nfs/dbraw/zinc/03/38/57/1190033857.db2.gz YNOHHIXWLRHXQK-DVOMOZLQSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973441 1190033862 /nfs/dbraw/zinc/03/38/62/1190033862.db2.gz YNOHHIXWLRHXQK-DVOMOZLQSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973441 1190033869 /nfs/dbraw/zinc/03/38/69/1190033869.db2.gz YNOHHIXWLRHXQK-DVOMOZLQSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973441 1190033877 /nfs/dbraw/zinc/03/38/77/1190033877.db2.gz YNOHHIXWLRHXQK-DVOMOZLQSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973442 1190034348 /nfs/dbraw/zinc/03/43/48/1190034348.db2.gz YNOHHIXWLRHXQK-WWGRRREGSA-N 2 2 360.462 0.056 20 0 FCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[NH+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973442 1190034353 /nfs/dbraw/zinc/03/43/53/1190034353.db2.gz YNOHHIXWLRHXQK-WWGRRREGSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973442 1190034357 /nfs/dbraw/zinc/03/43/57/1190034357.db2.gz YNOHHIXWLRHXQK-WWGRRREGSA-N 2 2 360.462 0.056 20 0 FCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)n[nH]1 ZINC001087973442 1190034362 /nfs/dbraw/zinc/03/43/62/1190034362.db2.gz YNOHHIXWLRHXQK-WWGRRREGSA-N 2 2 360.462 0.056 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563006 1190093912 /nfs/dbraw/zinc/09/39/12/1190093912.db2.gz IAKYURHOGFFOBM-YSIASYRMSA-N 2 2 373.545 0.726 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563006 1190093914 /nfs/dbraw/zinc/09/39/14/1190093914.db2.gz IAKYURHOGFFOBM-YSIASYRMSA-N 2 2 373.545 0.726 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984894783 1190223544 /nfs/dbraw/zinc/22/35/44/1190223544.db2.gz DNBIGMYLNMMTOX-HRCADAONSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984894783 1190223551 /nfs/dbraw/zinc/22/35/51/1190223551.db2.gz DNBIGMYLNMMTOX-HRCADAONSA-N 2 2 361.490 0.800 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001088017378 1190225760 /nfs/dbraw/zinc/22/57/60/1190225760.db2.gz YKHIPTHFTNGSER-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001088017378 1190225761 /nfs/dbraw/zinc/22/57/61/1190225761.db2.gz YKHIPTHFTNGSER-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000984904684 1190250685 /nfs/dbraw/zinc/25/06/85/1190250685.db2.gz DIPYACWSXKYCJK-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000984904684 1190250690 /nfs/dbraw/zinc/25/06/90/1190250690.db2.gz DIPYACWSXKYCJK-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053135 1190319466 /nfs/dbraw/zinc/31/94/66/1190319466.db2.gz VWEMMEDNHAOTHC-CEXWTWQISA-N 2 2 365.518 0.914 20 0 FCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053135 1190319475 /nfs/dbraw/zinc/31/94/75/1190319475.db2.gz VWEMMEDNHAOTHC-CEXWTWQISA-N 2 2 365.518 0.914 20 0 FCADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053135 1190319482 /nfs/dbraw/zinc/31/94/82/1190319482.db2.gz VWEMMEDNHAOTHC-CEXWTWQISA-N 2 2 365.518 0.914 20 0 FCADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053135 1190319487 /nfs/dbraw/zinc/31/94/87/1190319487.db2.gz VWEMMEDNHAOTHC-CEXWTWQISA-N 2 2 365.518 0.914 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088059013 1190328015 /nfs/dbraw/zinc/32/80/15/1190328015.db2.gz FCWYFRXSUPMUMO-IXDOHACOSA-N 2 2 369.473 0.833 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088059013 1190328019 /nfs/dbraw/zinc/32/80/19/1190328019.db2.gz FCWYFRXSUPMUMO-IXDOHACOSA-N 2 2 369.473 0.833 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000985056423 1190488183 /nfs/dbraw/zinc/48/81/83/1190488183.db2.gz MWWUZDPSNHOMNX-QKPAOTATSA-N 2 2 363.462 0.098 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000985056423 1190488186 /nfs/dbraw/zinc/48/81/86/1190488186.db2.gz MWWUZDPSNHOMNX-QKPAOTATSA-N 2 2 363.462 0.098 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101978 1190583924 /nfs/dbraw/zinc/58/39/24/1190583924.db2.gz JXMAIUBHTHJOCU-QLFBSQMISA-N 2 2 359.474 0.698 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101978 1190583925 /nfs/dbraw/zinc/58/39/25/1190583925.db2.gz JXMAIUBHTHJOCU-QLFBSQMISA-N 2 2 359.474 0.698 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106333 1190588979 /nfs/dbraw/zinc/58/89/79/1190588979.db2.gz WFUHREZGLFYMQO-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106333 1190588988 /nfs/dbraw/zinc/58/89/88/1190588988.db2.gz WFUHREZGLFYMQO-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106333 1190588995 /nfs/dbraw/zinc/58/89/95/1190588995.db2.gz WFUHREZGLFYMQO-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124281 1190617058 /nfs/dbraw/zinc/61/70/58/1190617058.db2.gz FPALBMPROVOLGA-ZACQAIPSSA-N 2 2 357.462 0.906 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124281 1190617067 /nfs/dbraw/zinc/61/70/67/1190617067.db2.gz FPALBMPROVOLGA-ZACQAIPSSA-N 2 2 357.462 0.906 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)Cn1cc[nH+]c1C ZINC000985163393 1190660114 /nfs/dbraw/zinc/66/01/14/1190660114.db2.gz GYHSBFKBWICNTA-JKSUJKDBSA-N 2 2 358.446 0.663 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cn(C)nn3)C2)O1 ZINC001088334374 1190749028 /nfs/dbraw/zinc/74/90/28/1190749028.db2.gz GUDANQZREVOJSP-HLLBOEOZSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cn(C)nn3)C2)O1 ZINC001088334374 1190749032 /nfs/dbraw/zinc/74/90/32/1190749032.db2.gz GUDANQZREVOJSP-HLLBOEOZSA-N 2 2 364.494 0.395 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875906 1190786266 /nfs/dbraw/zinc/78/62/66/1190786266.db2.gz ITPPJSOMCNCNIN-LZLYRXPVSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875906 1190786270 /nfs/dbraw/zinc/78/62/70/1190786270.db2.gz ITPPJSOMCNCNIN-LZLYRXPVSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875906 1190786276 /nfs/dbraw/zinc/78/62/76/1190786276.db2.gz ITPPJSOMCNCNIN-LZLYRXPVSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875906 1190786281 /nfs/dbraw/zinc/78/62/81/1190786281.db2.gz ITPPJSOMCNCNIN-LZLYRXPVSA-N 2 2 360.506 0.826 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756178 1224108888 /nfs/dbraw/zinc/10/88/88/1224108888.db2.gz JRZFKGMIHAPFEI-LJQANCHMSA-N 2 2 364.490 0.400 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756178 1224108891 /nfs/dbraw/zinc/10/88/91/1224108891.db2.gz JRZFKGMIHAPFEI-LJQANCHMSA-N 2 2 364.490 0.400 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CC(=O)N(Cc4ncccn4)C3=O)C2)CC1 ZINC001276756679 1224109618 /nfs/dbraw/zinc/10/96/18/1224109618.db2.gz YMFAURGUSJYLOI-LJQANCHMSA-N 2 2 357.458 0.912 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CC(=O)N(Cc4ncccn4)C3=O)C2)CC1 ZINC001276756679 1224109620 /nfs/dbraw/zinc/10/96/20/1224109620.db2.gz YMFAURGUSJYLOI-LJQANCHMSA-N 2 2 357.458 0.912 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000985830129 1190828108 /nfs/dbraw/zinc/82/81/08/1190828108.db2.gz AFJUFZRZOQTAPL-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000985830129 1190828110 /nfs/dbraw/zinc/82/81/10/1190828110.db2.gz AFJUFZRZOQTAPL-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCO1 ZINC001168118132 1190837302 /nfs/dbraw/zinc/83/73/02/1190837302.db2.gz ONRSWLYLCGLOHM-HUUCEWRRSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1C[C@H]([N@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCO1 ZINC001168118132 1190837305 /nfs/dbraw/zinc/83/73/05/1190837305.db2.gz ONRSWLYLCGLOHM-HUUCEWRRSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986191211 1190917228 /nfs/dbraw/zinc/91/72/28/1190917228.db2.gz QXVRGENTMLVQKV-WCXIOVBPSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@H+]1C ZINC000986191211 1190917230 /nfs/dbraw/zinc/91/72/30/1190917230.db2.gz QXVRGENTMLVQKV-WCXIOVBPSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986335614 1190951581 /nfs/dbraw/zinc/95/15/81/1190951581.db2.gz BSQBPDVWQQEQAO-BBWFWOEESA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986335614 1190951584 /nfs/dbraw/zinc/95/15/84/1190951584.db2.gz BSQBPDVWQQEQAO-BBWFWOEESA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1)[NH+](C)C ZINC000986325810 1190956889 /nfs/dbraw/zinc/95/68/89/1190956889.db2.gz BMHRHGXDXUFBDY-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986366727 1190970989 /nfs/dbraw/zinc/97/09/89/1190970989.db2.gz KKOLJBKKAVKANC-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986366727 1190970992 /nfs/dbraw/zinc/97/09/92/1190970992.db2.gz KKOLJBKKAVKANC-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986366726 1190971454 /nfs/dbraw/zinc/97/14/54/1190971454.db2.gz KKOLJBKKAVKANC-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986366726 1190971457 /nfs/dbraw/zinc/97/14/57/1190971457.db2.gz KKOLJBKKAVKANC-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000454887476 1191008247 /nfs/dbraw/zinc/00/82/47/1191008247.db2.gz IHGVBJGAARDJCQ-MRXNPFEDSA-N 2 2 350.467 0.821 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000454887476 1191008248 /nfs/dbraw/zinc/00/82/48/1191008248.db2.gz IHGVBJGAARDJCQ-MRXNPFEDSA-N 2 2 350.467 0.821 20 0 FCADLP Cc1noc(C[NH+](C)CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001029972149 1191053329 /nfs/dbraw/zinc/05/33/29/1191053329.db2.gz DBYYBNPPKZEXBW-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[NH+](C)CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001029972149 1191053333 /nfs/dbraw/zinc/05/33/33/1191053333.db2.gz DBYYBNPPKZEXBW-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[N@@H+](C)CC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001029972149 1191053336 /nfs/dbraw/zinc/05/33/36/1191053336.db2.gz DBYYBNPPKZEXBW-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[N@H+](C)CC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001029972149 1191053338 /nfs/dbraw/zinc/05/33/38/1191053338.db2.gz DBYYBNPPKZEXBW-CZUORRHYSA-N 2 2 365.478 0.768 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000988110050 1191150358 /nfs/dbraw/zinc/15/03/58/1191150358.db2.gz READTPMACDNFQU-PMPSAXMXSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000988143264 1191152928 /nfs/dbraw/zinc/15/29/28/1191152928.db2.gz VTKALIZOPDJXKZ-BFYDXBDKSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000988143264 1191152930 /nfs/dbraw/zinc/15/29/30/1191152930.db2.gz VTKALIZOPDJXKZ-BFYDXBDKSA-N 2 2 361.490 0.610 20 0 FCADLP CN1c2ccccc2C2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001276765089 1224132493 /nfs/dbraw/zinc/13/24/93/1224132493.db2.gz MUKBLBBHWVOVCS-UHFFFAOYSA-N 2 2 356.470 0.771 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161597 1224143833 /nfs/dbraw/zinc/14/38/33/1224143833.db2.gz GXHRIWACWQJOIA-XMTFNYHQSA-N 2 2 369.506 0.434 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161597 1224143835 /nfs/dbraw/zinc/14/38/35/1224143835.db2.gz GXHRIWACWQJOIA-XMTFNYHQSA-N 2 2 369.506 0.434 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161597 1224143837 /nfs/dbraw/zinc/14/38/37/1224143837.db2.gz GXHRIWACWQJOIA-XMTFNYHQSA-N 2 2 369.506 0.434 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161597 1224143839 /nfs/dbraw/zinc/14/38/39/1224143839.db2.gz GXHRIWACWQJOIA-XMTFNYHQSA-N 2 2 369.506 0.434 20 0 FCADLP CNC(=O)C(C)(C)[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276774727 1224145124 /nfs/dbraw/zinc/14/51/24/1224145124.db2.gz RXNWPQORBDOSPO-GOSISDBHSA-N 2 2 361.446 0.286 20 0 FCADLP CNC(=O)C(C)(C)[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276774727 1224145125 /nfs/dbraw/zinc/14/51/25/1224145125.db2.gz RXNWPQORBDOSPO-GOSISDBHSA-N 2 2 361.446 0.286 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218177790 1224145425 /nfs/dbraw/zinc/14/54/25/1224145425.db2.gz ZLGBWGBRGZTERR-DLBZAZTESA-N 2 2 360.414 0.097 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218177790 1224145429 /nfs/dbraw/zinc/14/54/29/1224145429.db2.gz ZLGBWGBRGZTERR-DLBZAZTESA-N 2 2 360.414 0.097 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000550644236 1193721284 /nfs/dbraw/zinc/72/12/84/1193721284.db2.gz CAZQQFAVCALJTJ-JKSUJKDBSA-N 2 2 369.473 0.737 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000550644236 1193721286 /nfs/dbraw/zinc/72/12/86/1193721286.db2.gz CAZQQFAVCALJTJ-JKSUJKDBSA-N 2 2 369.473 0.737 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000990116715 1193797544 /nfs/dbraw/zinc/79/75/44/1193797544.db2.gz ZCOPENUGTFUFSK-FPCVCCKLSA-N 2 2 371.485 0.725 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001691621666 1193807748 /nfs/dbraw/zinc/80/77/48/1193807748.db2.gz XXTQMTBHBIHXBG-ZMSDIMECSA-N 2 2 366.506 0.250 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001691621666 1193807749 /nfs/dbraw/zinc/80/77/49/1193807749.db2.gz XXTQMTBHBIHXBG-ZMSDIMECSA-N 2 2 366.506 0.250 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000551160102 1193838025 /nfs/dbraw/zinc/83/80/25/1193838025.db2.gz ZPLFCBVMZVCYPF-KRWDZBQOSA-N 2 2 367.538 0.073 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000551160102 1193838026 /nfs/dbraw/zinc/83/80/26/1193838026.db2.gz ZPLFCBVMZVCYPF-KRWDZBQOSA-N 2 2 367.538 0.073 20 0 FCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165819 1193838458 /nfs/dbraw/zinc/83/84/58/1193838458.db2.gz IINQEDGWFONTSU-HZPDHXFCSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165819 1193838459 /nfs/dbraw/zinc/83/84/59/1193838459.db2.gz IINQEDGWFONTSU-HZPDHXFCSA-N 2 2 361.490 0.942 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001075961682 1193883831 /nfs/dbraw/zinc/88/38/31/1193883831.db2.gz TWDAYWVOQPSHJK-RLFYNMQTSA-N 2 2 371.485 0.599 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001075961682 1193883832 /nfs/dbraw/zinc/88/38/32/1193883832.db2.gz TWDAYWVOQPSHJK-RLFYNMQTSA-N 2 2 371.485 0.599 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757240 1193891646 /nfs/dbraw/zinc/89/16/46/1193891646.db2.gz PFJNXGHQRZGIRB-VKKWLTJDSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757240 1193891649 /nfs/dbraw/zinc/89/16/49/1193891649.db2.gz PFJNXGHQRZGIRB-VKKWLTJDSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757240 1193891650 /nfs/dbraw/zinc/89/16/50/1193891650.db2.gz PFJNXGHQRZGIRB-VKKWLTJDSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088757240 1193891652 /nfs/dbraw/zinc/89/16/52/1193891652.db2.gz PFJNXGHQRZGIRB-VKKWLTJDSA-N 2 2 371.485 0.727 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)c3ccc([C@H](N)C[NH3+])cc3)ncn2)CC1 ZINC001218573268 1224175989 /nfs/dbraw/zinc/17/59/89/1224175989.db2.gz SZLBETUSFMIPDK-OAHLLOKOSA-N 2 2 355.446 0.439 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cn2)CC1 ZINC001218580602 1224176653 /nfs/dbraw/zinc/17/66/53/1224176653.db2.gz UFFVFTVOLPFKML-KRWDZBQOSA-N 2 2 352.442 0.881 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCCn1cc[nH+]c1C ZINC000552538703 1193938229 /nfs/dbraw/zinc/93/82/29/1193938229.db2.gz LJZMLCPWZZYUQX-OAHLLOKOSA-N 2 2 358.446 0.758 20 0 FCADLP CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218612852 1224181910 /nfs/dbraw/zinc/18/19/10/1224181910.db2.gz GUZAEGIJILLQRU-ZFWWWQNUSA-N 2 2 357.414 0.593 20 0 FCADLP COC(=O)c1cc2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cnc2[nH]1 ZINC001218671382 1224192983 /nfs/dbraw/zinc/19/29/83/1224192983.db2.gz SKOCEGFKFDAHDD-CYBMUJFWSA-N 2 2 360.418 0.038 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218669618 1224193277 /nfs/dbraw/zinc/19/32/77/1224193277.db2.gz USFKULIRMNUJJD-INIZCTEOSA-N 3 2 362.478 0.028 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518682 1194122353 /nfs/dbraw/zinc/12/23/53/1194122353.db2.gz LJGUKEUNNWUASR-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518682 1194122354 /nfs/dbraw/zinc/12/23/54/1194122354.db2.gz LJGUKEUNNWUASR-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518682 1194122355 /nfs/dbraw/zinc/12/23/55/1194122355.db2.gz LJGUKEUNNWUASR-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518682 1194122356 /nfs/dbraw/zinc/12/23/56/1194122356.db2.gz LJGUKEUNNWUASR-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083523421 1194145974 /nfs/dbraw/zinc/14/59/74/1194145974.db2.gz CPLKYVQXKDGSTD-IKGGRYGDSA-N 2 2 355.442 0.825 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083523421 1194145977 /nfs/dbraw/zinc/14/59/77/1194145977.db2.gz CPLKYVQXKDGSTD-IKGGRYGDSA-N 2 2 355.442 0.825 20 0 FCADLP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696695 1224198402 /nfs/dbraw/zinc/19/84/02/1224198402.db2.gz GXOILHVEXUZPAL-YESZJQIVSA-N 2 2 366.462 0.409 20 0 FCADLP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696695 1224198407 /nfs/dbraw/zinc/19/84/07/1224198407.db2.gz GXOILHVEXUZPAL-YESZJQIVSA-N 2 2 366.462 0.409 20 0 FCADLP C[N@H+](CCO)CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000899731576 1194194486 /nfs/dbraw/zinc/19/44/86/1194194486.db2.gz AXRRGBAWMYZJSF-UHFFFAOYSA-N 2 2 359.430 0.566 20 0 FCADLP C[N@@H+](CCO)CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000899731576 1194194495 /nfs/dbraw/zinc/19/44/95/1194194495.db2.gz AXRRGBAWMYZJSF-UHFFFAOYSA-N 2 2 359.430 0.566 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076046985 1194273309 /nfs/dbraw/zinc/27/33/09/1194273309.db2.gz WKBLPZYVYPVZNO-DOTOQJQBSA-N 2 2 357.462 0.844 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076046985 1194273318 /nfs/dbraw/zinc/27/33/18/1194273318.db2.gz WKBLPZYVYPVZNO-DOTOQJQBSA-N 2 2 357.462 0.844 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076228704 1194360445 /nfs/dbraw/zinc/36/04/45/1194360445.db2.gz HOHRMZBTBMFSHA-ZMSDIMECSA-N 2 2 371.485 0.985 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076228704 1194360447 /nfs/dbraw/zinc/36/04/47/1194360447.db2.gz HOHRMZBTBMFSHA-ZMSDIMECSA-N 2 2 371.485 0.985 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC001076294254 1194386909 /nfs/dbraw/zinc/38/69/09/1194386909.db2.gz BEHXGMKXUQQVKD-DOTOQJQBSA-N 2 2 353.426 0.784 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cc1 ZINC001076294254 1194386913 /nfs/dbraw/zinc/38/69/13/1194386913.db2.gz BEHXGMKXUQQVKD-DOTOQJQBSA-N 2 2 353.426 0.784 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076468701 1194502956 /nfs/dbraw/zinc/50/29/56/1194502956.db2.gz DNVMJRWBUAALKA-GOEBONIOSA-N 2 2 357.458 0.614 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076468701 1194502963 /nfs/dbraw/zinc/50/29/63/1194502963.db2.gz DNVMJRWBUAALKA-GOEBONIOSA-N 2 2 357.458 0.614 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789727 1224223056 /nfs/dbraw/zinc/22/30/56/1224223056.db2.gz RMDFQRIYAHJSBV-ZWKOTPCHSA-N 2 2 369.506 0.293 20 0 FCADLP CC(C)COCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789727 1224223070 /nfs/dbraw/zinc/22/30/70/1224223070.db2.gz RMDFQRIYAHJSBV-ZWKOTPCHSA-N 2 2 369.506 0.293 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)nn1 ZINC001076574789 1194571485 /nfs/dbraw/zinc/57/14/85/1194571485.db2.gz PNUCLRKJNDQHTF-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)nn1 ZINC001076574789 1194571496 /nfs/dbraw/zinc/57/14/96/1194571496.db2.gz PNUCLRKJNDQHTF-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574999 1194572321 /nfs/dbraw/zinc/57/23/21/1194572321.db2.gz VLQXFMKCZJUNOS-DOTOQJQBSA-N 2 2 357.462 0.844 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076574999 1194572323 /nfs/dbraw/zinc/57/23/23/1194572323.db2.gz VLQXFMKCZJUNOS-DOTOQJQBSA-N 2 2 357.462 0.844 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001218856121 1224241009 /nfs/dbraw/zinc/24/10/09/1224241009.db2.gz OYUBRMLRMPSLIX-UHFFFAOYSA-N 3 2 361.490 0.778 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905617 1224252911 /nfs/dbraw/zinc/25/29/11/1224252911.db2.gz TVCGDFYDUKCUMC-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905617 1224252913 /nfs/dbraw/zinc/25/29/13/1224252913.db2.gz TVCGDFYDUKCUMC-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905617 1224252916 /nfs/dbraw/zinc/25/29/16/1224252916.db2.gz TVCGDFYDUKCUMC-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218901705 1224251918 /nfs/dbraw/zinc/25/19/18/1224251918.db2.gz LSRZGPJVFIXZSY-HOTGVXAUSA-N 2 2 361.446 0.026 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905617 1224252922 /nfs/dbraw/zinc/25/29/22/1224252922.db2.gz TVCGDFYDUKCUMC-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812489 1195034037 /nfs/dbraw/zinc/03/40/37/1195034037.db2.gz JAHIONVKEABFSY-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812489 1195034040 /nfs/dbraw/zinc/03/40/40/1195034040.db2.gz JAHIONVKEABFSY-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812489 1195034046 /nfs/dbraw/zinc/03/40/46/1195034046.db2.gz JAHIONVKEABFSY-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1O ZINC001076812489 1195034052 /nfs/dbraw/zinc/03/40/52/1195034052.db2.gz JAHIONVKEABFSY-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811346 1195034817 /nfs/dbraw/zinc/03/48/17/1195034817.db2.gz LAKUDRQURVHXEK-FGTMMUONSA-N 2 2 354.454 0.990 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811346 1195034819 /nfs/dbraw/zinc/03/48/19/1195034819.db2.gz LAKUDRQURVHXEK-FGTMMUONSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811346 1195034821 /nfs/dbraw/zinc/03/48/21/1195034821.db2.gz LAKUDRQURVHXEK-FGTMMUONSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811346 1195034824 /nfs/dbraw/zinc/03/48/24/1195034824.db2.gz LAKUDRQURVHXEK-FGTMMUONSA-N 2 2 354.454 0.990 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834051 1195042705 /nfs/dbraw/zinc/04/27/05/1195042705.db2.gz DCZWEEGZWQWBNO-JFIYKMOQSA-N 2 2 359.426 0.425 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834051 1195042707 /nfs/dbraw/zinc/04/27/07/1195042707.db2.gz DCZWEEGZWQWBNO-JFIYKMOQSA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834051 1195042710 /nfs/dbraw/zinc/04/27/10/1195042710.db2.gz DCZWEEGZWQWBNO-JFIYKMOQSA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2O)C1 ZINC001076834051 1195042714 /nfs/dbraw/zinc/04/27/14/1195042714.db2.gz DCZWEEGZWQWBNO-JFIYKMOQSA-N 2 2 359.426 0.425 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838634 1195044492 /nfs/dbraw/zinc/04/44/92/1195044492.db2.gz FYKSYONMJXXYHE-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838634 1195044495 /nfs/dbraw/zinc/04/44/95/1195044495.db2.gz FYKSYONMJXXYHE-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838634 1195044500 /nfs/dbraw/zinc/04/45/00/1195044500.db2.gz FYKSYONMJXXYHE-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838634 1195044503 /nfs/dbraw/zinc/04/45/03/1195044503.db2.gz FYKSYONMJXXYHE-GUDVDZBRSA-N 2 2 359.470 0.556 20 0 FCADLP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218929557 1224262210 /nfs/dbraw/zinc/26/22/10/1224262210.db2.gz CMLRPVQXRNEHIB-YHTYYEMMSA-N 2 2 361.377 0.659 20 0 FCADLP CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800471 1224275082 /nfs/dbraw/zinc/27/50/82/1224275082.db2.gz SGFPWNPOGQWKBJ-VQIMIIECSA-N 2 2 364.490 0.984 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219448 1195328647 /nfs/dbraw/zinc/32/86/47/1195328647.db2.gz RGODYCVZSXBPDE-USXIJHARSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219448 1195328651 /nfs/dbraw/zinc/32/86/51/1195328651.db2.gz RGODYCVZSXBPDE-USXIJHARSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@H]2O)O1 ZINC001077220247 1195329895 /nfs/dbraw/zinc/32/98/95/1195329895.db2.gz HTZWFUNGCAKZJC-BNEJOLLZSA-N 2 2 365.449 0.249 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@H]2O)O1 ZINC001077220247 1195329900 /nfs/dbraw/zinc/32/99/00/1195329900.db2.gz HTZWFUNGCAKZJC-BNEJOLLZSA-N 2 2 365.449 0.249 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3F)C[C@H]2O)O1 ZINC001077220247 1195329904 /nfs/dbraw/zinc/32/99/04/1195329904.db2.gz HTZWFUNGCAKZJC-BNEJOLLZSA-N 2 2 365.449 0.249 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@H]2O)O1 ZINC001077220247 1195329908 /nfs/dbraw/zinc/32/99/08/1195329908.db2.gz HTZWFUNGCAKZJC-BNEJOLLZSA-N 2 2 365.449 0.249 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@H]2O)O1 ZINC001077220082 1195330251 /nfs/dbraw/zinc/33/02/51/1195330251.db2.gz FABQQAFSBPECTD-LMFCIFFHSA-N 2 2 373.497 0.556 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@H]2O)O1 ZINC001077220082 1195330255 /nfs/dbraw/zinc/33/02/55/1195330255.db2.gz FABQQAFSBPECTD-LMFCIFFHSA-N 2 2 373.497 0.556 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)O1 ZINC001077220082 1195330260 /nfs/dbraw/zinc/33/02/60/1195330260.db2.gz FABQQAFSBPECTD-LMFCIFFHSA-N 2 2 373.497 0.556 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)O1 ZINC001077220082 1195330265 /nfs/dbraw/zinc/33/02/65/1195330265.db2.gz FABQQAFSBPECTD-LMFCIFFHSA-N 2 2 373.497 0.556 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077232947 1195341761 /nfs/dbraw/zinc/34/17/61/1195341761.db2.gz GIAUPFUSACHZDA-JCURWCKSSA-N 2 2 371.441 0.254 20 0 FCADLP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800471 1224275093 /nfs/dbraw/zinc/27/50/93/1224275093.db2.gz SGFPWNPOGQWKBJ-VQIMIIECSA-N 2 2 364.490 0.984 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260365 1195365724 /nfs/dbraw/zinc/36/57/24/1195365724.db2.gz DDMRZORJRWWEED-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260365 1195365731 /nfs/dbraw/zinc/36/57/31/1195365731.db2.gz DDMRZORJRWWEED-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1=O ZINC001077276339 1195377680 /nfs/dbraw/zinc/37/76/80/1195377680.db2.gz XZLPFVUKSMQSHR-IXDOHACOSA-N 2 2 371.441 0.038 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1=O ZINC001077276339 1195377688 /nfs/dbraw/zinc/37/76/88/1195377688.db2.gz XZLPFVUKSMQSHR-IXDOHACOSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001077312236 1195416533 /nfs/dbraw/zinc/41/65/33/1195416533.db2.gz UXCASVBBCRGUJI-HZPDHXFCSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001077312236 1195416540 /nfs/dbraw/zinc/41/65/40/1195416540.db2.gz UXCASVBBCRGUJI-HZPDHXFCSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001228 1224283230 /nfs/dbraw/zinc/28/32/30/1224283230.db2.gz SVUAIFMYZFJSAQ-ZWKOTPCHSA-N 2 2 363.506 0.872 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001228 1224283233 /nfs/dbraw/zinc/28/32/33/1224283233.db2.gz SVUAIFMYZFJSAQ-ZWKOTPCHSA-N 2 2 363.506 0.872 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004286 1224285479 /nfs/dbraw/zinc/28/54/79/1224285479.db2.gz FEYSCTBEVXJFOF-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004286 1224285482 /nfs/dbraw/zinc/28/54/82/1224285482.db2.gz FEYSCTBEVXJFOF-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004286 1224285491 /nfs/dbraw/zinc/28/54/91/1224285491.db2.gz FEYSCTBEVXJFOF-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004286 1224285495 /nfs/dbraw/zinc/28/54/95/1224285495.db2.gz FEYSCTBEVXJFOF-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580166 1195528795 /nfs/dbraw/zinc/52/87/95/1195528795.db2.gz UINPORQTDCSDCN-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083581806 1195534062 /nfs/dbraw/zinc/53/40/62/1195534062.db2.gz KSFSAFZZCUJRCO-KSZLIROESA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083581806 1195534066 /nfs/dbraw/zinc/53/40/66/1195534066.db2.gz KSFSAFZZCUJRCO-KSZLIROESA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583379 1195538638 /nfs/dbraw/zinc/53/86/38/1195538638.db2.gz DDMRZORJRWWEED-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583379 1195538642 /nfs/dbraw/zinc/53/86/42/1195538642.db2.gz DDMRZORJRWWEED-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905445995 1195586274 /nfs/dbraw/zinc/58/62/74/1195586274.db2.gz AWRQZTAQHSXCCO-MOPGFXCFSA-N 2 2 369.550 0.819 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccn1CC[NH+]1CCOCC1 ZINC000906459103 1195631680 /nfs/dbraw/zinc/63/16/80/1195631680.db2.gz JNPIPIRVQSEDCT-IAGOWNOFSA-N 2 2 362.474 0.413 20 0 FCADLP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000906656868 1195642911 /nfs/dbraw/zinc/64/29/11/1195642911.db2.gz IAYANWRFGKHZSX-SJORKVTESA-N 2 2 360.458 0.843 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725046 1195655668 /nfs/dbraw/zinc/65/56/68/1195655668.db2.gz ITWLAEBNYDVWPN-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725046 1195655672 /nfs/dbraw/zinc/65/56/72/1195655672.db2.gz ITWLAEBNYDVWPN-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1NC(=O)c1cnccn1 ZINC001219020555 1224295570 /nfs/dbraw/zinc/29/55/70/1224295570.db2.gz CYDGWXRXXQPXBA-LBPRGKRZSA-N 2 2 351.370 0.961 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607177 1195683956 /nfs/dbraw/zinc/68/39/56/1195683956.db2.gz KIEFCNDNCYRNMD-SJORKVTESA-N 2 2 354.414 0.085 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607177 1195683959 /nfs/dbraw/zinc/68/39/59/1195683959.db2.gz KIEFCNDNCYRNMD-SJORKVTESA-N 2 2 354.414 0.085 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455401 1195696735 /nfs/dbraw/zinc/69/67/35/1195696735.db2.gz IEXCTXGALJKYJW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455401 1195696741 /nfs/dbraw/zinc/69/67/41/1195696741.db2.gz IEXCTXGALJKYJW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455401 1195696746 /nfs/dbraw/zinc/69/67/46/1195696746.db2.gz IEXCTXGALJKYJW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455401 1195696752 /nfs/dbraw/zinc/69/67/52/1195696752.db2.gz IEXCTXGALJKYJW-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603943 1195703888 /nfs/dbraw/zinc/70/38/88/1195703888.db2.gz LBEYKLMXJNQJNB-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603943 1195703892 /nfs/dbraw/zinc/70/38/92/1195703892.db2.gz LBEYKLMXJNQJNB-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603943 1195703901 /nfs/dbraw/zinc/70/39/01/1195703901.db2.gz LBEYKLMXJNQJNB-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603943 1195703909 /nfs/dbraw/zinc/70/39/09/1195703909.db2.gz LBEYKLMXJNQJNB-CVEARBPZSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839809 1195715530 /nfs/dbraw/zinc/71/55/30/1195715530.db2.gz OZZAKBYVZOPWFK-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839809 1195715533 /nfs/dbraw/zinc/71/55/33/1195715533.db2.gz OZZAKBYVZOPWFK-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839809 1195715538 /nfs/dbraw/zinc/71/55/38/1195715538.db2.gz OZZAKBYVZOPWFK-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839809 1195715541 /nfs/dbraw/zinc/71/55/41/1195715541.db2.gz OZZAKBYVZOPWFK-IXDOHACOSA-N 2 2 369.506 0.829 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037615 1224308851 /nfs/dbraw/zinc/30/88/51/1224308851.db2.gz UDKIAALZEGFZGX-YESZJQIVSA-N 2 2 366.506 0.428 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037615 1224308856 /nfs/dbraw/zinc/30/88/56/1224308856.db2.gz UDKIAALZEGFZGX-YESZJQIVSA-N 2 2 366.506 0.428 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043841 1224314148 /nfs/dbraw/zinc/31/41/48/1224314148.db2.gz KTLAGXKCOPTJCV-RCCFBDPRSA-N 2 2 369.506 0.435 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043841 1224314160 /nfs/dbraw/zinc/31/41/60/1224314160.db2.gz KTLAGXKCOPTJCV-RCCFBDPRSA-N 2 2 369.506 0.435 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219043841 1224314165 /nfs/dbraw/zinc/31/41/65/1224314165.db2.gz KTLAGXKCOPTJCV-RCCFBDPRSA-N 2 2 369.506 0.435 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219043841 1224314173 /nfs/dbraw/zinc/31/41/73/1224314173.db2.gz KTLAGXKCOPTJCV-RCCFBDPRSA-N 2 2 369.506 0.435 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052137 1224322139 /nfs/dbraw/zinc/32/21/39/1224322139.db2.gz HRIOZFUHHCGJKY-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052137 1224322150 /nfs/dbraw/zinc/32/21/50/1224322150.db2.gz HRIOZFUHHCGJKY-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052137 1224322157 /nfs/dbraw/zinc/32/21/57/1224322157.db2.gz HRIOZFUHHCGJKY-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052137 1224322167 /nfs/dbraw/zinc/32/21/67/1224322167.db2.gz HRIOZFUHHCGJKY-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360717 1196321757 /nfs/dbraw/zinc/32/17/57/1196321757.db2.gz NEVGCOFUYWCOFJ-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360717 1196321760 /nfs/dbraw/zinc/32/17/60/1196321760.db2.gz NEVGCOFUYWCOFJ-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2ccnn2C)CC3)O1 ZINC000991360717 1196321762 /nfs/dbraw/zinc/32/17/62/1196321762.db2.gz NEVGCOFUYWCOFJ-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360717 1196321764 /nfs/dbraw/zinc/32/17/64/1196321764.db2.gz NEVGCOFUYWCOFJ-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363415 1196325607 /nfs/dbraw/zinc/32/56/07/1196325607.db2.gz XCRIIQIBFDEECI-NVQRDWNXSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363415 1196325611 /nfs/dbraw/zinc/32/56/11/1196325611.db2.gz XCRIIQIBFDEECI-NVQRDWNXSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363415 1196325616 /nfs/dbraw/zinc/32/56/16/1196325616.db2.gz XCRIIQIBFDEECI-NVQRDWNXSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363415 1196325620 /nfs/dbraw/zinc/32/56/20/1196325620.db2.gz XCRIIQIBFDEECI-NVQRDWNXSA-N 2 2 364.490 0.097 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444373 1196413337 /nfs/dbraw/zinc/41/33/37/1196413337.db2.gz VPGNQTICDCTIMX-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444373 1196413344 /nfs/dbraw/zinc/41/33/44/1196413344.db2.gz VPGNQTICDCTIMX-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)cc21 ZINC000913541501 1196454264 /nfs/dbraw/zinc/45/42/64/1196454264.db2.gz OAJZMOWHEAXTFM-CQSZACIVSA-N 2 2 361.446 0.052 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)cc21 ZINC000913541501 1196454269 /nfs/dbraw/zinc/45/42/69/1196454269.db2.gz OAJZMOWHEAXTFM-CQSZACIVSA-N 2 2 361.446 0.052 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000591644086 1196522765 /nfs/dbraw/zinc/52/27/65/1196522765.db2.gz PRIGNXXPNVZKBR-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000591644086 1196522768 /nfs/dbraw/zinc/52/27/68/1196522768.db2.gz PRIGNXXPNVZKBR-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1=O ZINC000591644086 1196522771 /nfs/dbraw/zinc/52/27/71/1196522771.db2.gz PRIGNXXPNVZKBR-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1=O ZINC000591644086 1196522772 /nfs/dbraw/zinc/52/27/72/1196522772.db2.gz PRIGNXXPNVZKBR-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000593918657 1196671839 /nfs/dbraw/zinc/67/18/39/1196671839.db2.gz FGRHHPDMJWRANY-OAHLLOKOSA-N 2 2 365.478 0.140 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991725509 1196747953 /nfs/dbraw/zinc/74/79/53/1196747953.db2.gz YIPGXGBODPFUAS-HLLBOEOZSA-N 2 2 371.485 0.433 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991725509 1196747958 /nfs/dbraw/zinc/74/79/58/1196747958.db2.gz YIPGXGBODPFUAS-HLLBOEOZSA-N 2 2 371.485 0.433 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)ccn12 ZINC000991847085 1196808181 /nfs/dbraw/zinc/80/81/81/1196808181.db2.gz IGSGKBFXNVRIDW-CZUORRHYSA-N 2 2 371.441 0.302 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)ccn12 ZINC000991847085 1196808184 /nfs/dbraw/zinc/80/81/84/1196808184.db2.gz IGSGKBFXNVRIDW-CZUORRHYSA-N 2 2 371.441 0.302 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052994 1196876889 /nfs/dbraw/zinc/87/68/89/1196876889.db2.gz HEPYRNQKEJIWMH-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052994 1196876892 /nfs/dbraw/zinc/87/68/92/1196876892.db2.gz HEPYRNQKEJIWMH-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052994 1196876894 /nfs/dbraw/zinc/87/68/94/1196876894.db2.gz HEPYRNQKEJIWMH-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(OC)n3)[C@@H]2C)C1 ZINC001089052994 1196876895 /nfs/dbraw/zinc/87/68/95/1196876895.db2.gz HEPYRNQKEJIWMH-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc2c(c1)nnn2C ZINC001089074096 1196885766 /nfs/dbraw/zinc/88/57/66/1196885766.db2.gz ZERZQQPKTJLPTK-HIFRSBDPSA-N 2 2 353.430 0.944 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccc2c(c1)nnn2C ZINC001089074096 1196885767 /nfs/dbraw/zinc/88/57/67/1196885767.db2.gz ZERZQQPKTJLPTK-HIFRSBDPSA-N 2 2 353.430 0.944 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nc(O)cc(=O)[nH]3)CC2)CC1 ZINC001168431527 1196969947 /nfs/dbraw/zinc/96/99/47/1196969947.db2.gz VPFTZOFXOXOTDD-UHFFFAOYSA-N 2 2 363.462 0.700 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459122 1197088251 /nfs/dbraw/zinc/08/82/51/1197088251.db2.gz CNDFUDNNYVPCDD-FUHWJXTLSA-N 2 2 358.446 0.654 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459122 1197088255 /nfs/dbraw/zinc/08/82/55/1197088255.db2.gz CNDFUDNNYVPCDD-FUHWJXTLSA-N 2 2 358.446 0.654 20 0 FCADLP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)[C@@H](CO)n3cc[nH+]c3)CC2)C1 ZINC001272467132 1197103379 /nfs/dbraw/zinc/10/33/79/1197103379.db2.gz LFZSLYAKDVBEHZ-QGZVFWFLSA-N 2 2 363.506 0.683 20 0 FCADLP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)[C@@H](CO)n3cc[nH+]c3)CC2)C1 ZINC001272467132 1197103383 /nfs/dbraw/zinc/10/33/83/1197103383.db2.gz LFZSLYAKDVBEHZ-QGZVFWFLSA-N 2 2 363.506 0.683 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001060421581 1197123523 /nfs/dbraw/zinc/12/35/23/1197123523.db2.gz ZJVSUXQWBMBGKY-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000992686661 1197301949 /nfs/dbraw/zinc/30/19/49/1197301949.db2.gz IQWZZNAZBURILH-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000992686661 1197301953 /nfs/dbraw/zinc/30/19/53/1197301953.db2.gz IQWZZNAZBURILH-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000914399687 1197533965 /nfs/dbraw/zinc/53/39/65/1197533965.db2.gz QLLFWTWMMNNNAA-KRWDZBQOSA-N 2 2 362.474 0.901 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000914399687 1197533967 /nfs/dbraw/zinc/53/39/67/1197533967.db2.gz QLLFWTWMMNNNAA-KRWDZBQOSA-N 2 2 362.474 0.901 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC000992855082 1197566739 /nfs/dbraw/zinc/56/67/39/1197566739.db2.gz SIDYFTAMTDEFTC-HNAYVOBHSA-N 2 2 359.474 0.745 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085225481 1197701892 /nfs/dbraw/zinc/70/18/92/1197701892.db2.gz YLZUQCJTMGDUHR-MCIONIFRSA-N 2 2 358.450 0.501 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993045022 1197732754 /nfs/dbraw/zinc/73/27/54/1197732754.db2.gz BWOXDBWDLWZTSO-HNAYVOBHSA-N 2 2 371.485 0.745 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993045022 1197732758 /nfs/dbraw/zinc/73/27/58/1197732758.db2.gz BWOXDBWDLWZTSO-HNAYVOBHSA-N 2 2 371.485 0.745 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085248592 1197745027 /nfs/dbraw/zinc/74/50/27/1197745027.db2.gz QGWNURQAEYRWSW-NWANDNLSSA-N 2 2 358.450 0.186 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085248308 1197746403 /nfs/dbraw/zinc/74/64/03/1197746403.db2.gz DONDWVJHMZZWEH-NUEKZKHPSA-N 2 2 357.462 0.791 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085250054 1197747011 /nfs/dbraw/zinc/74/70/11/1197747011.db2.gz CYKAQGXUGXJJRC-NWANDNLSSA-N 2 2 358.450 0.186 20 0 FCADLP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)C1CC1 ZINC001106225691 1197748697 /nfs/dbraw/zinc/74/86/97/1197748697.db2.gz BVTDBOTULFJVEV-IJEWVQPXSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)C1CC1 ZINC001106225691 1197748709 /nfs/dbraw/zinc/74/87/09/1197748709.db2.gz BVTDBOTULFJVEV-IJEWVQPXSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106278822 1197821037 /nfs/dbraw/zinc/82/10/37/1197821037.db2.gz MDIPPYCDIIMBGR-AAVRWANBSA-N 2 2 372.429 0.824 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106278822 1197821038 /nfs/dbraw/zinc/82/10/38/1197821038.db2.gz MDIPPYCDIIMBGR-AAVRWANBSA-N 2 2 372.429 0.824 20 0 FCADLP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001085375661 1197849882 /nfs/dbraw/zinc/84/98/82/1197849882.db2.gz XQXXXUACWSEXFI-RRFJBIMHSA-N 2 2 363.462 0.217 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106343243 1197871945 /nfs/dbraw/zinc/87/19/45/1197871945.db2.gz VROCUCXBJAZWKX-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001085421869 1197887080 /nfs/dbraw/zinc/88/70/80/1197887080.db2.gz ABKBUXDCFSFGHY-RBSFLKMASA-N 2 2 363.510 0.897 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001085421869 1197887083 /nfs/dbraw/zinc/88/70/83/1197887083.db2.gz ABKBUXDCFSFGHY-RBSFLKMASA-N 2 2 363.510 0.897 20 0 FCADLP CCOC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c2c1OCCO2 ZINC001219373818 1224445145 /nfs/dbraw/zinc/44/51/45/1224445145.db2.gz YPSDUOBWOQFQHO-ZDUSSCGKSA-N 2 2 374.397 0.877 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)n1 ZINC001085429582 1197895762 /nfs/dbraw/zinc/89/57/62/1197895762.db2.gz XYOYCSROHDKCMJ-BRWVUGGUSA-N 2 2 364.494 0.536 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)n1 ZINC001085429582 1197895766 /nfs/dbraw/zinc/89/57/66/1197895766.db2.gz XYOYCSROHDKCMJ-BRWVUGGUSA-N 2 2 364.494 0.536 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001085438208 1197908656 /nfs/dbraw/zinc/90/86/56/1197908656.db2.gz AKLCVXCCNRPLHI-HUUCEWRRSA-N 2 2 369.429 0.436 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106462288 1197941468 /nfs/dbraw/zinc/94/14/68/1197941468.db2.gz ZPORKADHCRTNFE-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129320707 1197971039 /nfs/dbraw/zinc/97/10/39/1197971039.db2.gz ABGWXIIUOIWKJJ-SJORKVTESA-N 2 2 362.478 0.308 20 0 FCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129320707 1197971041 /nfs/dbraw/zinc/97/10/41/1197971041.db2.gz ABGWXIIUOIWKJJ-SJORKVTESA-N 2 2 362.478 0.308 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993198604 1198009881 /nfs/dbraw/zinc/00/98/81/1198009881.db2.gz YZHBXHQJTFFWHG-BJZITVGISA-N 2 2 361.490 0.845 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000993200377 1198019961 /nfs/dbraw/zinc/01/99/61/1198019961.db2.gz GSNPJGWRMRRABW-HNAYVOBHSA-N 2 2 371.485 0.663 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411825 1224457959 /nfs/dbraw/zinc/45/79/59/1224457959.db2.gz ZIYMOOUVWNBMIR-CEXWTWQISA-N 2 2 361.486 0.501 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411825 1224457962 /nfs/dbraw/zinc/45/79/62/1224457962.db2.gz ZIYMOOUVWNBMIR-CEXWTWQISA-N 2 2 361.486 0.501 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411825 1224457965 /nfs/dbraw/zinc/45/79/65/1224457965.db2.gz ZIYMOOUVWNBMIR-CEXWTWQISA-N 2 2 361.486 0.501 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411825 1224457968 /nfs/dbraw/zinc/45/79/68/1224457968.db2.gz ZIYMOOUVWNBMIR-CEXWTWQISA-N 2 2 361.486 0.501 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C ZINC001086202426 1198253060 /nfs/dbraw/zinc/25/30/60/1198253060.db2.gz YOTDPYMGGIOJCS-RKQHYHRCSA-N 2 2 358.450 0.293 20 0 FCADLP COC[C@]1(C)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744440371 1198315807 /nfs/dbraw/zinc/31/58/07/1198315807.db2.gz MXSXRYQBPFBDQZ-SFHVURJKSA-N 2 2 368.478 0.478 20 0 FCADLP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456704 1224476424 /nfs/dbraw/zinc/47/64/24/1224476424.db2.gz TUIPVMIAIODOEU-MJVIPROJSA-N 2 2 370.400 0.853 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400840 1198357373 /nfs/dbraw/zinc/35/73/73/1198357373.db2.gz ZJZXXCBXZSUXJF-KJWHEZOQSA-N 2 2 364.494 0.632 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400840 1198357383 /nfs/dbraw/zinc/35/73/83/1198357383.db2.gz ZJZXXCBXZSUXJF-KJWHEZOQSA-N 2 2 364.494 0.632 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC001006310597 1198395787 /nfs/dbraw/zinc/39/57/87/1198395787.db2.gz UVAAAAIAOQINBH-OAGGEKHMSA-N 2 2 359.474 0.863 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)C1 ZINC001006310597 1198395794 /nfs/dbraw/zinc/39/57/94/1198395794.db2.gz UVAAAAIAOQINBH-OAGGEKHMSA-N 2 2 359.474 0.863 20 0 FCADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746307045 1198979604 /nfs/dbraw/zinc/97/96/04/1198979604.db2.gz GGZSREAMHDPJJY-UHFFFAOYSA-N 2 2 374.363 0.304 20 0 FCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cc[nH+]c1CC[NH3+] ZINC001169167479 1199051516 /nfs/dbraw/zinc/05/15/16/1199051516.db2.gz HMPDPKPJPDDARP-CYBMUJFWSA-N 2 2 373.461 0.563 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129333344 1199069093 /nfs/dbraw/zinc/06/90/93/1199069093.db2.gz PJFQVFCRKFSLQQ-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129333344 1199069101 /nfs/dbraw/zinc/06/91/01/1199069101.db2.gz PJFQVFCRKFSLQQ-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129342655 1199087284 /nfs/dbraw/zinc/08/72/84/1199087284.db2.gz UEKRUFLYCZGBMZ-SJORKVTESA-N 2 2 364.494 0.388 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129342655 1199087290 /nfs/dbraw/zinc/08/72/90/1199087290.db2.gz UEKRUFLYCZGBMZ-SJORKVTESA-N 2 2 364.494 0.388 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724293 1224577219 /nfs/dbraw/zinc/57/72/19/1224577219.db2.gz FTZJSVIMEPSGRQ-OAGGEKHMSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724293 1224577227 /nfs/dbraw/zinc/57/72/27/1224577227.db2.gz FTZJSVIMEPSGRQ-OAGGEKHMSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C2)o1 ZINC001219731906 1224582705 /nfs/dbraw/zinc/58/27/05/1224582705.db2.gz JNCZWIMLQGFNAO-KFWWJZLASA-N 2 2 370.469 0.887 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C2)o1 ZINC001219731906 1224582712 /nfs/dbraw/zinc/58/27/12/1224582712.db2.gz JNCZWIMLQGFNAO-KFWWJZLASA-N 2 2 370.469 0.887 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223294 1200119180 /nfs/dbraw/zinc/11/91/80/1200119180.db2.gz USTYWROHEWVJPK-WCVJEAGWSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109223294 1200119188 /nfs/dbraw/zinc/11/91/88/1200119188.db2.gz USTYWROHEWVJPK-WCVJEAGWSA-N 2 2 366.462 0.088 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001109362913 1200213911 /nfs/dbraw/zinc/21/39/11/1200213911.db2.gz JGCOPMAPEOZJNF-NCOADZHNSA-N 2 2 368.497 0.914 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001109362913 1200213919 /nfs/dbraw/zinc/21/39/19/1200213919.db2.gz JGCOPMAPEOZJNF-NCOADZHNSA-N 2 2 368.497 0.914 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386032 1200235700 /nfs/dbraw/zinc/23/57/00/1200235700.db2.gz JECRWPHFOBDEQV-NCOADZHNSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386032 1200235708 /nfs/dbraw/zinc/23/57/08/1200235708.db2.gz JECRWPHFOBDEQV-NCOADZHNSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386032 1200235713 /nfs/dbraw/zinc/23/57/13/1200235713.db2.gz JECRWPHFOBDEQV-NCOADZHNSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386032 1200235720 /nfs/dbraw/zinc/23/57/20/1200235720.db2.gz JECRWPHFOBDEQV-NCOADZHNSA-N 2 2 366.462 0.088 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427994 1200270712 /nfs/dbraw/zinc/27/07/12/1200270712.db2.gz HDBHEEMBXGGBDK-CVYDXHPNSA-N 2 2 368.522 0.447 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427994 1200270718 /nfs/dbraw/zinc/27/07/18/1200270718.db2.gz HDBHEEMBXGGBDK-CVYDXHPNSA-N 2 2 368.522 0.447 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109446098 1200291116 /nfs/dbraw/zinc/29/11/16/1200291116.db2.gz KLHWQMPYMIJRSL-TWMKSMIVSA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109446098 1200291126 /nfs/dbraw/zinc/29/11/26/1200291126.db2.gz KLHWQMPYMIJRSL-TWMKSMIVSA-N 2 2 366.506 0.343 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001109461162 1200306681 /nfs/dbraw/zinc/30/66/81/1200306681.db2.gz QKAAMMRPFNQHFA-LMSBXDPUSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001109461162 1200306692 /nfs/dbraw/zinc/30/66/92/1200306692.db2.gz QKAAMMRPFNQHFA-LMSBXDPUSA-N 2 2 371.485 0.693 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001109545762 1200380678 /nfs/dbraw/zinc/38/06/78/1200380678.db2.gz LVBQOHXUMKYLLV-IKGGRYGDSA-N 2 2 369.469 0.973 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001109545762 1200380689 /nfs/dbraw/zinc/38/06/89/1200380689.db2.gz LVBQOHXUMKYLLV-IKGGRYGDSA-N 2 2 369.469 0.973 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109581108 1200401252 /nfs/dbraw/zinc/40/12/52/1200401252.db2.gz JOZIJYNZXPPILT-YVSFHVDLSA-N 2 2 359.474 0.911 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109581108 1200401257 /nfs/dbraw/zinc/40/12/57/1200401257.db2.gz JOZIJYNZXPPILT-YVSFHVDLSA-N 2 2 359.474 0.911 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792449 1224614279 /nfs/dbraw/zinc/61/42/79/1224614279.db2.gz LGMLPDTZVLPGOJ-OAGGEKHMSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792449 1224614281 /nfs/dbraw/zinc/61/42/81/1224614281.db2.gz LGMLPDTZVLPGOJ-OAGGEKHMSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792449 1224614283 /nfs/dbraw/zinc/61/42/83/1224614283.db2.gz LGMLPDTZVLPGOJ-OAGGEKHMSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792449 1224614286 /nfs/dbraw/zinc/61/42/86/1224614286.db2.gz LGMLPDTZVLPGOJ-OAGGEKHMSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796663 1224617220 /nfs/dbraw/zinc/61/72/20/1224617220.db2.gz LJSUMEQGRSHAGC-XHSDSOJGSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796663 1224617224 /nfs/dbraw/zinc/61/72/24/1224617224.db2.gz LJSUMEQGRSHAGC-XHSDSOJGSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796663 1224617227 /nfs/dbraw/zinc/61/72/27/1224617227.db2.gz LJSUMEQGRSHAGC-XHSDSOJGSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001219796663 1224617233 /nfs/dbraw/zinc/61/72/33/1224617233.db2.gz LJSUMEQGRSHAGC-XHSDSOJGSA-N 2 2 368.522 0.325 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001109844626 1200557555 /nfs/dbraw/zinc/55/75/55/1200557555.db2.gz ALDZMDGKIUEVCX-LTIDMASMSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001109844626 1200557566 /nfs/dbraw/zinc/55/75/66/1200557566.db2.gz ALDZMDGKIUEVCX-LTIDMASMSA-N 2 2 359.474 0.972 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803853 1224622311 /nfs/dbraw/zinc/62/23/11/1224622311.db2.gz GVTNKTOEFSSRTJ-ZACQAIPSSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803853 1224622316 /nfs/dbraw/zinc/62/23/16/1224622316.db2.gz GVTNKTOEFSSRTJ-ZACQAIPSSA-N 2 2 364.490 0.985 20 0 FCADLP COc1ccnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)c1 ZINC001109977400 1200660403 /nfs/dbraw/zinc/66/04/03/1200660403.db2.gz HUGSKCATEGNSMZ-NJAFHUGGSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)c1 ZINC001109977400 1200660418 /nfs/dbraw/zinc/66/04/18/1200660418.db2.gz HUGSKCATEGNSMZ-NJAFHUGGSA-N 2 2 362.474 0.890 20 0 FCADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219805798 1224626103 /nfs/dbraw/zinc/62/61/03/1224626103.db2.gz DCADBOYBYKZRSF-SFHVURJKSA-N 2 2 371.416 0.379 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110053221 1200739100 /nfs/dbraw/zinc/73/91/00/1200739100.db2.gz AKXZTXCHQJKQDZ-LMSBXDPUSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110053221 1200739104 /nfs/dbraw/zinc/73/91/04/1200739104.db2.gz AKXZTXCHQJKQDZ-LMSBXDPUSA-N 2 2 373.501 0.991 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815644 1224632308 /nfs/dbraw/zinc/63/23/08/1224632308.db2.gz CHPSJWFXBYJZGQ-XYPHTWIQSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815644 1224632317 /nfs/dbraw/zinc/63/23/17/1224632317.db2.gz CHPSJWFXBYJZGQ-XYPHTWIQSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815644 1224632324 /nfs/dbraw/zinc/63/23/24/1224632324.db2.gz CHPSJWFXBYJZGQ-XYPHTWIQSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815644 1224632329 /nfs/dbraw/zinc/63/23/29/1224632329.db2.gz CHPSJWFXBYJZGQ-XYPHTWIQSA-N 2 2 366.506 0.079 20 0 FCADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112582591 1200819882 /nfs/dbraw/zinc/81/98/82/1200819882.db2.gz FQNYRBXBSZWODK-NSHGMRRFSA-N 2 2 365.518 0.698 20 0 FCADLP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582872 1200820921 /nfs/dbraw/zinc/82/09/21/1200820921.db2.gz SPKPTDJLEDLLKO-BJLQDIEVSA-N 2 2 365.518 0.962 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)NCC1CC1 ZINC001112590862 1200830130 /nfs/dbraw/zinc/83/01/30/1200830130.db2.gz UIVFOZRCRRJSDC-LPHOPBHVSA-N 2 2 359.474 0.628 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000786459936 1200839233 /nfs/dbraw/zinc/83/92/33/1200839233.db2.gz UZCUNYYYBCPUBH-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC([C@@H](O)c4ncc[nH]4)CC3)cn2)CC1 ZINC000787767980 1200906650 /nfs/dbraw/zinc/90/66/50/1200906650.db2.gz WTAUVHFTGJHPCE-QGZVFWFLSA-N 2 2 371.489 0.897 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086606959 1201186714 /nfs/dbraw/zinc/18/67/14/1201186714.db2.gz GGNFUVDITLEGFS-ZWKOTPCHSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086606959 1201186724 /nfs/dbraw/zinc/18/67/24/1201186724.db2.gz GGNFUVDITLEGFS-ZWKOTPCHSA-N 2 2 358.486 0.658 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCC1 ZINC000793712170 1201254831 /nfs/dbraw/zinc/25/48/31/1201254831.db2.gz ZSAUUFRDZUJQAS-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412522 1201300452 /nfs/dbraw/zinc/30/04/52/1201300452.db2.gz UPJTXPQTYFXXKL-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412522 1201300454 /nfs/dbraw/zinc/30/04/54/1201300454.db2.gz UPJTXPQTYFXXKL-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803484 1201397903 /nfs/dbraw/zinc/39/79/03/1201397903.db2.gz NMEOKRCTNYMEET-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910306 1201422367 /nfs/dbraw/zinc/42/23/67/1201422367.db2.gz NBBBSMLYGIXVEQ-JLZZUVOBSA-N 2 2 369.429 0.845 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000635 1201467218 /nfs/dbraw/zinc/46/72/18/1201467218.db2.gz HPMZGCIDMLRCFZ-YUELXQCFSA-N 2 2 359.434 0.109 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130034603 1201482327 /nfs/dbraw/zinc/48/23/27/1201482327.db2.gz UEDFGXOGJAWEES-IMJJTQAJSA-N 2 2 361.450 0.258 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130034603 1201482330 /nfs/dbraw/zinc/48/23/30/1201482330.db2.gz UEDFGXOGJAWEES-IMJJTQAJSA-N 2 2 361.450 0.258 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1)OC ZINC001130086209 1201494056 /nfs/dbraw/zinc/49/40/56/1201494056.db2.gz PSOPEJXTRLJBHJ-OAGGEKHMSA-N 2 2 361.450 0.021 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCCCCF)[C@@H](n2ccnn2)C1 ZINC001130085842 1201494168 /nfs/dbraw/zinc/49/41/68/1201494168.db2.gz AKJNMDQVGVGZBU-CVEARBPZSA-N 2 2 363.441 0.736 20 0 FCADLP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130086309 1201494912 /nfs/dbraw/zinc/49/49/12/1201494912.db2.gz VOFXBBWXPUDZFP-UIZHIOIMSA-N 2 2 357.462 0.952 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908373 1224677414 /nfs/dbraw/zinc/67/74/14/1224677414.db2.gz CVDONESQFSFKQX-OLMNPRSZSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908373 1224677416 /nfs/dbraw/zinc/67/74/16/1224677416.db2.gz CVDONESQFSFKQX-OLMNPRSZSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908373 1224677418 /nfs/dbraw/zinc/67/74/18/1224677418.db2.gz CVDONESQFSFKQX-OLMNPRSZSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908373 1224677419 /nfs/dbraw/zinc/67/74/19/1224677419.db2.gz CVDONESQFSFKQX-OLMNPRSZSA-N 2 2 364.490 0.801 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1)OC ZINC001130107180 1201502188 /nfs/dbraw/zinc/50/21/88/1201502188.db2.gz HWXKCXUUYGVHMO-IMJJTQAJSA-N 2 2 361.450 0.319 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130107394 1201503050 /nfs/dbraw/zinc/50/30/50/1201503050.db2.gz OBBVKBQAJPYYDZ-CVEARBPZSA-N 2 2 361.450 0.320 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130107659 1201503183 /nfs/dbraw/zinc/50/31/83/1201503183.db2.gz UPPULGHVYIOBOR-CVEARBPZSA-N 2 2 361.450 0.320 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158343 1201519395 /nfs/dbraw/zinc/51/93/95/1201519395.db2.gz DOIBDZAAUYZYOQ-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001130288203 1201577670 /nfs/dbraw/zinc/57/76/70/1201577670.db2.gz JGZUFOUUSIJCSP-KDOFPFPSSA-N 2 2 365.453 0.787 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001219934382 1224689368 /nfs/dbraw/zinc/68/93/68/1224689368.db2.gz CLGUSXZWCDKAGK-GJZGRUSLSA-N 2 2 365.478 0.441 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCCC1 ZINC001220051850 1224738326 /nfs/dbraw/zinc/73/83/26/1224738326.db2.gz NRALXAJTZIGCNA-IKGGRYGDSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCCC1 ZINC001220051850 1224738328 /nfs/dbraw/zinc/73/83/28/1224738328.db2.gz NRALXAJTZIGCNA-IKGGRYGDSA-N 2 2 364.490 0.719 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1)OC ZINC001130685441 1202753622 /nfs/dbraw/zinc/75/36/22/1202753622.db2.gz TXGWUOAUJNSHBR-HLLBOEOZSA-N 2 2 360.462 0.695 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001130698346 1202758009 /nfs/dbraw/zinc/75/80/09/1202758009.db2.gz HJJRJAWWSKMJRW-DOTOQJQBSA-N 2 2 371.489 0.636 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698975 1202758134 /nfs/dbraw/zinc/75/81/34/1202758134.db2.gz WXRHJKBXZVCTQO-GOEBONIOSA-N 2 2 360.462 0.697 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719288 1202765644 /nfs/dbraw/zinc/76/56/44/1202765644.db2.gz HPZOTTLSSXLCMZ-WMLDXEAASA-N 2 2 360.462 0.615 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)C1CC1 ZINC001130790060 1202797823 /nfs/dbraw/zinc/79/78/23/1202797823.db2.gz GBJLFXFRAKBKJZ-GUTXKFCHSA-N 2 2 368.457 0.540 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3)n2)O1 ZINC001130820237 1202809337 /nfs/dbraw/zinc/80/93/37/1202809337.db2.gz PIORKZOQCCLCBX-UONOGXRCSA-N 2 2 361.450 0.783 20 0 FCADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000807318283 1202820499 /nfs/dbraw/zinc/82/04/99/1202820499.db2.gz IKGKBCVMPYMVPX-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000807318283 1202820501 /nfs/dbraw/zinc/82/05/01/1202820501.db2.gz IKGKBCVMPYMVPX-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038463 1202849629 /nfs/dbraw/zinc/84/96/29/1202849629.db2.gz SXXJMIAFBSXKQJ-ARFHVFGLSA-N 2 2 360.462 0.626 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131573055 1202915972 /nfs/dbraw/zinc/91/59/72/1202915972.db2.gz SJJYIUCZMQKTMB-QAPCUYQASA-N 2 2 363.462 0.026 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000810432468 1202947084 /nfs/dbraw/zinc/94/70/84/1202947084.db2.gz ZSTYFFZDUXFBHR-UHFFFAOYSA-N 2 2 370.457 0.817 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000810432468 1202947088 /nfs/dbraw/zinc/94/70/88/1202947088.db2.gz ZSTYFFZDUXFBHR-UHFFFAOYSA-N 2 2 370.457 0.817 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001134046305 1203011314 /nfs/dbraw/zinc/01/13/14/1203011314.db2.gz XZEPELCOIJGIBI-NUEKZKHPSA-N 2 2 362.430 0.400 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220101831 1224762687 /nfs/dbraw/zinc/76/26/87/1224762687.db2.gz DLGBZSOGPSDFBZ-AEFFLSMTSA-N 2 2 357.458 0.701 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220101831 1224762689 /nfs/dbraw/zinc/76/26/89/1224762689.db2.gz DLGBZSOGPSDFBZ-AEFFLSMTSA-N 2 2 357.458 0.701 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001086746882 1203070847 /nfs/dbraw/zinc/07/08/47/1203070847.db2.gz WIBHRCPQNHJKOW-GXTWGEPZSA-N 2 2 354.418 0.546 20 0 FCADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170843080 1203079411 /nfs/dbraw/zinc/07/94/11/1203079411.db2.gz ZGJRHDDHYBGUGZ-OWCLPIDISA-N 2 2 361.490 0.904 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC001086806590 1203106563 /nfs/dbraw/zinc/10/65/63/1203106563.db2.gz CNIJVWKVWNCWTQ-GBJTYRQASA-N 2 2 357.462 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC001086806785 1203108087 /nfs/dbraw/zinc/10/80/87/1203108087.db2.gz NKNZULDMGOQMSC-REWJHTLYSA-N 2 2 358.450 0.122 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000818645708 1203141742 /nfs/dbraw/zinc/14/17/42/1203141742.db2.gz DZVNQCOLUGRNHX-UONOGXRCSA-N 2 2 371.445 0.081 20 0 FCADLP Cc1c(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)c(=O)n(-c2ccccc2)n1C ZINC001220110988 1224770807 /nfs/dbraw/zinc/77/08/07/1224770807.db2.gz GCTSMYUSZNGGLF-MRXNPFEDSA-N 2 2 372.473 0.173 20 0 FCADLP CCn1nc(C)c(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000822951972 1203242464 /nfs/dbraw/zinc/24/24/64/1203242464.db2.gz ZPFDJLAVZAIJDY-UHFFFAOYSA-N 2 2 363.510 0.964 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cn2)CC1 ZINC000822971801 1203243120 /nfs/dbraw/zinc/24/31/20/1203243120.db2.gz AYWYCSCFGBKNPC-YUELXQCFSA-N 2 2 354.414 0.942 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(-n4cncn4)n3)CC2)CC1 ZINC000824818948 1203303328 /nfs/dbraw/zinc/30/33/28/1203303328.db2.gz LFHVWNACQOVTSM-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCCCCCN2C(=O)C=CC2=O)cc1 ZINC001220127430 1224779881 /nfs/dbraw/zinc/77/98/81/1224779881.db2.gz VCDWFAORIHSALT-INIZCTEOSA-N 2 2 358.442 0.860 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)cc(C)[nH+]1 ZINC001090900237 1203337483 /nfs/dbraw/zinc/33/74/83/1203337483.db2.gz KXIWGPABQCIFKF-HUUCEWRRSA-N 2 2 365.478 0.245 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203884 1224802171 /nfs/dbraw/zinc/80/21/71/1224802171.db2.gz TUSUUHOEXNXKHR-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203884 1224802173 /nfs/dbraw/zinc/80/21/73/1224802173.db2.gz TUSUUHOEXNXKHR-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203884 1224802177 /nfs/dbraw/zinc/80/21/77/1224802177.db2.gz TUSUUHOEXNXKHR-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203884 1224802179 /nfs/dbraw/zinc/80/21/79/1224802179.db2.gz TUSUUHOEXNXKHR-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220296458 1224822472 /nfs/dbraw/zinc/82/24/72/1224822472.db2.gz PYMWKOIYKNTJGF-PNHOKKKMSA-N 2 2 370.453 0.710 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1OC)[NH+](C)C ZINC001090905182 1204385195 /nfs/dbraw/zinc/38/51/95/1204385195.db2.gz OFTQPRKOCFEEIN-MGPQQGTHSA-N 2 2 361.450 0.023 20 0 FCADLP CO[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1NC(=O)CC[NH+](C)C ZINC001090940786 1204404880 /nfs/dbraw/zinc/40/48/80/1204404880.db2.gz XCHMHSPVCNXGPI-IAGOWNOFSA-N 2 2 361.490 0.935 20 0 FCADLP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091016666 1204439728 /nfs/dbraw/zinc/43/97/28/1204439728.db2.gz IFSHSXIAQBPTFY-TZMCWYRMSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001091097028 1204514018 /nfs/dbraw/zinc/51/40/18/1204514018.db2.gz HBYCKSSCZUCROP-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001091097028 1204514022 /nfs/dbraw/zinc/51/40/22/1204514022.db2.gz HBYCKSSCZUCROP-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP Cn1nnc2cc(C[N@@H+]3CCCn4c(=O)cc(C[NH+](C)C)nc4C3)ccc21 ZINC001144636699 1204570553 /nfs/dbraw/zinc/57/05/53/1204570553.db2.gz YXKSUOYZDAHAIP-UHFFFAOYSA-N 2 2 367.457 0.993 20 0 FCADLP Cn1nnc2cc(C[N@H+]3CCCn4c(=O)cc(C[NH+](C)C)nc4C3)ccc21 ZINC001144636699 1204570559 /nfs/dbraw/zinc/57/05/59/1204570559.db2.gz YXKSUOYZDAHAIP-UHFFFAOYSA-N 2 2 367.457 0.993 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091194649 1204597695 /nfs/dbraw/zinc/59/76/95/1204597695.db2.gz CBSUQWVEJXTWDU-BBWFWOEESA-N 2 2 361.490 0.942 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091194649 1204597699 /nfs/dbraw/zinc/59/76/99/1204597699.db2.gz CBSUQWVEJXTWDU-BBWFWOEESA-N 2 2 361.490 0.942 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855806 1204669398 /nfs/dbraw/zinc/66/93/98/1204669398.db2.gz LQCAOBCTJJORFF-CVEARBPZSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855806 1204669410 /nfs/dbraw/zinc/66/94/10/1204669410.db2.gz LQCAOBCTJJORFF-CVEARBPZSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855806 1204669413 /nfs/dbraw/zinc/66/94/13/1204669413.db2.gz LQCAOBCTJJORFF-CVEARBPZSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855806 1204669417 /nfs/dbraw/zinc/66/94/17/1204669417.db2.gz LQCAOBCTJJORFF-CVEARBPZSA-N 2 2 362.474 0.459 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359696 1224843407 /nfs/dbraw/zinc/84/34/07/1224843407.db2.gz UZOJFALLLSHDAV-BBWFWOEESA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359696 1224843409 /nfs/dbraw/zinc/84/34/09/1224843409.db2.gz UZOJFALLLSHDAV-BBWFWOEESA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359696 1224843411 /nfs/dbraw/zinc/84/34/11/1224843411.db2.gz UZOJFALLLSHDAV-BBWFWOEESA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359696 1224843416 /nfs/dbraw/zinc/84/34/16/1224843416.db2.gz UZOJFALLLSHDAV-BBWFWOEESA-N 2 2 369.506 0.075 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369573 1224846255 /nfs/dbraw/zinc/84/62/55/1224846255.db2.gz KIPQUFSJFXTAPH-XHSDSOJGSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369573 1224846258 /nfs/dbraw/zinc/84/62/58/1224846258.db2.gz KIPQUFSJFXTAPH-XHSDSOJGSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369573 1224846261 /nfs/dbraw/zinc/84/62/61/1224846261.db2.gz KIPQUFSJFXTAPH-XHSDSOJGSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369573 1224846266 /nfs/dbraw/zinc/84/62/66/1224846266.db2.gz KIPQUFSJFXTAPH-XHSDSOJGSA-N 2 2 370.538 0.430 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387376 1224853531 /nfs/dbraw/zinc/85/35/31/1224853531.db2.gz IXLVPFJROMWANL-XYPHTWIQSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387376 1224853536 /nfs/dbraw/zinc/85/35/36/1224853536.db2.gz IXLVPFJROMWANL-XYPHTWIQSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387200 1224852741 /nfs/dbraw/zinc/85/27/41/1224852741.db2.gz FIQBRKBEGBEDPQ-XKQJLSEDSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387200 1224852744 /nfs/dbraw/zinc/85/27/44/1224852744.db2.gz FIQBRKBEGBEDPQ-XKQJLSEDSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001220387306 1224853600 /nfs/dbraw/zinc/85/36/00/1224853600.db2.gz GYPNNIQOOPZPPK-XKQJLSEDSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001220387306 1224853601 /nfs/dbraw/zinc/85/36/01/1224853601.db2.gz GYPNNIQOOPZPPK-XKQJLSEDSA-N 2 2 366.462 0.145 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664293 1204810918 /nfs/dbraw/zinc/81/09/18/1204810918.db2.gz GADUCJIHSCGPLV-GJYPPUQNSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664293 1204810920 /nfs/dbraw/zinc/81/09/20/1204810920.db2.gz GADUCJIHSCGPLV-GJYPPUQNSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664293 1204810921 /nfs/dbraw/zinc/81/09/21/1204810921.db2.gz GADUCJIHSCGPLV-GJYPPUQNSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1)C(N)=O ZINC001086851828 1204847879 /nfs/dbraw/zinc/84/78/79/1204847879.db2.gz ZCLDSCWITOBSGP-MELADBBJSA-N 2 2 356.430 0.629 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cnn(C)c1 ZINC001086989196 1204882129 /nfs/dbraw/zinc/88/21/29/1204882129.db2.gz NTUBJAYAYIDUEB-CWRNSKLLSA-N 2 2 360.462 0.051 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]C[C@@H]2CCOC2)cn1 ZINC001087003943 1204891664 /nfs/dbraw/zinc/89/16/64/1204891664.db2.gz XLHRMECQPWVGAJ-CWRNSKLLSA-N 2 2 358.446 0.306 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087038670 1204917688 /nfs/dbraw/zinc/91/76/88/1204917688.db2.gz SFFOILYQZXYEDS-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087038670 1204917692 /nfs/dbraw/zinc/91/76/92/1204917692.db2.gz SFFOILYQZXYEDS-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087049448 1204925047 /nfs/dbraw/zinc/92/50/47/1204925047.db2.gz IGTUZFHVZDEBFG-ZIAGYGMSSA-N 2 2 362.434 0.687 20 0 FCADLP COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220406024 1224862164 /nfs/dbraw/zinc/86/21/64/1224862164.db2.gz IQQYXIQYGHVUTL-ABAIWWIYSA-N 2 2 357.414 0.541 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001087093902 1204986778 /nfs/dbraw/zinc/98/67/78/1204986778.db2.gz JBXCYXPHCPPTOK-GDBMZVCRSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087104129 1205002285 /nfs/dbraw/zinc/00/22/85/1205002285.db2.gz QMFWKBDKJHOQOJ-NVXWUHKLSA-N 2 2 358.446 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ocnc1C ZINC001087096807 1205004442 /nfs/dbraw/zinc/00/44/42/1205004442.db2.gz FOPTXJWEZYYOEA-RHSMWYFYSA-N 2 2 361.446 0.912 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779958 1205026045 /nfs/dbraw/zinc/02/60/45/1205026045.db2.gz QRTGLADSFIJUCN-CLCXKQKWSA-N 2 2 361.490 0.971 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091779958 1205026050 /nfs/dbraw/zinc/02/60/50/1205026050.db2.gz QRTGLADSFIJUCN-CLCXKQKWSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001091898825 1205076547 /nfs/dbraw/zinc/07/65/47/1205076547.db2.gz UPLNOABIMYMBLJ-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001091898825 1205076551 /nfs/dbraw/zinc/07/65/51/1205076551.db2.gz UPLNOABIMYMBLJ-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)n1 ZINC001092015416 1205114429 /nfs/dbraw/zinc/11/44/29/1205114429.db2.gz PTOHOZGMFZSHPY-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)n1 ZINC001092015416 1205114433 /nfs/dbraw/zinc/11/44/33/1205114433.db2.gz PTOHOZGMFZSHPY-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@]3(C)C2)n1 ZINC001092015416 1205114446 /nfs/dbraw/zinc/11/44/46/1205114446.db2.gz PTOHOZGMFZSHPY-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@]3(C)C2)n1 ZINC001092015416 1205114455 /nfs/dbraw/zinc/11/44/55/1205114455.db2.gz PTOHOZGMFZSHPY-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014946 1205114641 /nfs/dbraw/zinc/11/46/41/1205114641.db2.gz HJFVYQCETRHUPP-KHYOSLBOSA-N 2 2 359.474 0.280 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@]2(C)C1 ZINC001092014946 1205114644 /nfs/dbraw/zinc/11/46/44/1205114644.db2.gz HJFVYQCETRHUPP-KHYOSLBOSA-N 2 2 359.474 0.280 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220441741 1224873101 /nfs/dbraw/zinc/87/31/01/1224873101.db2.gz MMFXSYLNEIATAV-OIISXLGYSA-N 2 2 360.462 0.509 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220441741 1224873107 /nfs/dbraw/zinc/87/31/07/1224873107.db2.gz MMFXSYLNEIATAV-OIISXLGYSA-N 2 2 360.462 0.509 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092199993 1205194753 /nfs/dbraw/zinc/19/47/53/1205194753.db2.gz ZQRJCKIQHIYTQY-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092199993 1205194756 /nfs/dbraw/zinc/19/47/56/1205194756.db2.gz ZQRJCKIQHIYTQY-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)n1 ZINC001092200613 1205195738 /nfs/dbraw/zinc/19/57/38/1205195738.db2.gz LWMHBMOXKYWDTM-KUHUBIRLSA-N 2 2 370.457 0.742 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)n1 ZINC001092200613 1205195743 /nfs/dbraw/zinc/19/57/43/1205195743.db2.gz LWMHBMOXKYWDTM-KUHUBIRLSA-N 2 2 370.457 0.742 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242602 1205209806 /nfs/dbraw/zinc/20/98/06/1205209806.db2.gz SHHLNSVCERXHRG-CLCXKQKWSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242602 1205209809 /nfs/dbraw/zinc/20/98/09/1205209809.db2.gz SHHLNSVCERXHRG-CLCXKQKWSA-N 2 2 361.490 0.610 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092274764 1205222209 /nfs/dbraw/zinc/22/22/09/1205222209.db2.gz LVCRDGDGLWNAST-APWZRJJASA-N 2 2 360.506 0.983 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001092274764 1205222211 /nfs/dbraw/zinc/22/22/11/1205222211.db2.gz LVCRDGDGLWNAST-APWZRJJASA-N 2 2 360.506 0.983 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300233 1205233821 /nfs/dbraw/zinc/23/38/21/1205233821.db2.gz SKMXQHAUSHPVLF-QAPCUYQASA-N 2 2 361.494 0.366 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300233 1205233825 /nfs/dbraw/zinc/23/38/25/1205233825.db2.gz SKMXQHAUSHPVLF-QAPCUYQASA-N 2 2 361.494 0.366 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCCN1CCCC1=O)C2 ZINC001092319324 1205247191 /nfs/dbraw/zinc/24/71/91/1205247191.db2.gz PFQNZYFTLMQXFP-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCCN1CCCC1=O)C2 ZINC001092319324 1205247194 /nfs/dbraw/zinc/24/71/94/1205247194.db2.gz PFQNZYFTLMQXFP-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092320038 1205247514 /nfs/dbraw/zinc/24/75/14/1205247514.db2.gz YZEMKXPAMLRRFU-AEFFLSMTSA-N 2 2 357.462 0.572 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092320038 1205247523 /nfs/dbraw/zinc/24/75/23/1205247523.db2.gz YZEMKXPAMLRRFU-AEFFLSMTSA-N 2 2 357.462 0.572 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092368352 1205275478 /nfs/dbraw/zinc/27/54/78/1205275478.db2.gz IMSOAISJIHHAFJ-ZIAGYGMSSA-N 2 2 359.478 0.894 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]3C)ccn12 ZINC001092608026 1205319215 /nfs/dbraw/zinc/31/92/15/1205319215.db2.gz HZOKEYIMBGWOKH-WQVCFCJDSA-N 2 2 355.442 0.829 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]3C)ccn12 ZINC001092608026 1205319216 /nfs/dbraw/zinc/31/92/16/1205319216.db2.gz HZOKEYIMBGWOKH-WQVCFCJDSA-N 2 2 355.442 0.829 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092694768 1205341878 /nfs/dbraw/zinc/34/18/78/1205341878.db2.gz VHDHPOARBHICBS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092694768 1205341882 /nfs/dbraw/zinc/34/18/82/1205341882.db2.gz VHDHPOARBHICBS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092694760 1205341978 /nfs/dbraw/zinc/34/19/78/1205341978.db2.gz VDHHICHLVYTFAT-RRCSTGOVSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092694760 1205341980 /nfs/dbraw/zinc/34/19/80/1205341980.db2.gz VDHHICHLVYTFAT-RRCSTGOVSA-N 2 2 359.474 0.818 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747294 1205350892 /nfs/dbraw/zinc/35/08/92/1205350892.db2.gz BDGCAKXZRNQNCF-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001092747294 1205350893 /nfs/dbraw/zinc/35/08/93/1205350893.db2.gz BDGCAKXZRNQNCF-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753247 1205351870 /nfs/dbraw/zinc/35/18/70/1205351870.db2.gz CVQBVSWXHCNXSC-HZSPNIEDSA-N 2 2 365.478 0.511 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753247 1205351875 /nfs/dbraw/zinc/35/18/75/1205351875.db2.gz CVQBVSWXHCNXSC-HZSPNIEDSA-N 2 2 365.478 0.511 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478655 1224885798 /nfs/dbraw/zinc/88/57/98/1224885798.db2.gz GKHSLHKKLQGLCT-IMJJTQAJSA-N 2 2 368.522 0.183 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478655 1224885800 /nfs/dbraw/zinc/88/58/00/1224885800.db2.gz GKHSLHKKLQGLCT-IMJJTQAJSA-N 2 2 368.522 0.183 20 0 FCADLP COCCOCCOCCOCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220514595 1224898747 /nfs/dbraw/zinc/89/87/47/1224898747.db2.gz RFANROGWTIWBMA-QGZVFWFLSA-N 2 2 369.462 0.071 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)C1 ZINC001220527425 1224907225 /nfs/dbraw/zinc/90/72/25/1224907225.db2.gz JBEJNTGZVVKUIE-BEFAXECRSA-N 3 2 355.486 0.980 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918198 1205944333 /nfs/dbraw/zinc/94/43/33/1205944333.db2.gz CLEHIDRRHIIJLW-TZMCWYRMSA-N 2 2 361.450 0.363 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918198 1205944339 /nfs/dbraw/zinc/94/43/39/1205944339.db2.gz CLEHIDRRHIIJLW-TZMCWYRMSA-N 2 2 361.450 0.363 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001220545639 1224918901 /nfs/dbraw/zinc/91/89/01/1224918901.db2.gz IICVAMTZNYWBON-MSOLQXFVSA-N 2 2 362.474 0.245 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001220545639 1224918905 /nfs/dbraw/zinc/91/89/05/1224918905.db2.gz IICVAMTZNYWBON-MSOLQXFVSA-N 2 2 362.474 0.245 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220547777 1224921106 /nfs/dbraw/zinc/92/11/06/1224921106.db2.gz GXDGSZHPBZEQIZ-MSOLQXFVSA-N 2 2 369.506 0.077 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220547777 1224921118 /nfs/dbraw/zinc/92/11/18/1224921118.db2.gz GXDGSZHPBZEQIZ-MSOLQXFVSA-N 2 2 369.506 0.077 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550102 1224923496 /nfs/dbraw/zinc/92/34/96/1224923496.db2.gz JJHHCBRUVPTTCM-OAGGEKHMSA-N 2 2 365.478 0.177 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550102 1224923500 /nfs/dbraw/zinc/92/35/00/1224923500.db2.gz JJHHCBRUVPTTCM-OAGGEKHMSA-N 2 2 365.478 0.177 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133179 1206032297 /nfs/dbraw/zinc/03/22/97/1206032297.db2.gz UYHVGBHOAPOCCZ-HUUCEWRRSA-N 2 2 361.494 0.534 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133179 1206032304 /nfs/dbraw/zinc/03/23/04/1206032304.db2.gz UYHVGBHOAPOCCZ-HUUCEWRRSA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+][C@H]1CCN(C)C1=O ZINC001093281386 1206071619 /nfs/dbraw/zinc/07/16/19/1206071619.db2.gz QVVNZJKAXJAYIB-OAGGEKHMSA-N 2 2 361.490 0.658 20 0 FCADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553638 1224927088 /nfs/dbraw/zinc/92/70/88/1224927088.db2.gz NVSCXNIUFNCRAU-MSOLQXFVSA-N 2 2 365.449 0.518 20 0 FCADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553638 1224927097 /nfs/dbraw/zinc/92/70/97/1224927097.db2.gz NVSCXNIUFNCRAU-MSOLQXFVSA-N 2 2 365.449 0.518 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001093288617 1206073400 /nfs/dbraw/zinc/07/34/00/1206073400.db2.gz KROPVZUGXDEUQK-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001093406892 1206077280 /nfs/dbraw/zinc/07/72/80/1206077280.db2.gz LZFYVCIXIGUFHC-BWRBCVJASA-N 2 2 362.474 0.646 20 0 FCADLP CC(C)[C@H]1N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093473195 1206087174 /nfs/dbraw/zinc/08/71/74/1206087174.db2.gz NFVCVEAOMLCSCG-NPNMTCQASA-N 2 2 364.490 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001093690677 1206101552 /nfs/dbraw/zinc/10/15/52/1206101552.db2.gz BSVINHJZWBWKAH-YUELXQCFSA-N 2 2 362.478 0.197 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001093690677 1206101555 /nfs/dbraw/zinc/10/15/55/1206101555.db2.gz BSVINHJZWBWKAH-YUELXQCFSA-N 2 2 362.478 0.197 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001093872733 1206139108 /nfs/dbraw/zinc/13/91/08/1206139108.db2.gz APKBNBVTPRWOLT-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093873284 1206139150 /nfs/dbraw/zinc/13/91/50/1206139150.db2.gz IMJSXHBDYYJSKR-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093951930 1206156953 /nfs/dbraw/zinc/15/69/53/1206156953.db2.gz WMXHMOYDFJMPHF-ZIAGYGMSSA-N 2 2 361.450 0.607 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094146493 1206193526 /nfs/dbraw/zinc/19/35/26/1206193526.db2.gz KSSSNGOKGHLUPH-IIAWOOMASA-N 2 2 368.441 0.454 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001094166427 1206198006 /nfs/dbraw/zinc/19/80/06/1206198006.db2.gz BDNCYJCLZITSKC-BFYDXBDKSA-N 2 2 361.490 0.656 20 0 FCADLP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001094167041 1206198298 /nfs/dbraw/zinc/19/82/98/1206198298.db2.gz UBHMRQVGVDIHFN-ZIAGYGMSSA-N 2 2 358.446 0.646 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001094221270 1206203957 /nfs/dbraw/zinc/20/39/57/1206203957.db2.gz BIOHIKJWHHAZSX-TZMCWYRMSA-N 2 2 362.434 0.605 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)c1nnnn1C ZINC001094196870 1206206169 /nfs/dbraw/zinc/20/61/69/1206206169.db2.gz VPQGZXMMUFGMCW-MGPQQGTHSA-N 2 2 360.466 0.322 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001220565044 1224935664 /nfs/dbraw/zinc/93/56/64/1224935664.db2.gz KZSWMXDRZCFQCM-MSOLQXFVSA-N 2 2 365.522 0.902 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001220565044 1224935673 /nfs/dbraw/zinc/93/56/73/1224935673.db2.gz KZSWMXDRZCFQCM-MSOLQXFVSA-N 2 2 365.522 0.902 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001220565044 1224935677 /nfs/dbraw/zinc/93/56/77/1224935677.db2.gz KZSWMXDRZCFQCM-MSOLQXFVSA-N 2 2 365.522 0.902 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001220565044 1224935681 /nfs/dbraw/zinc/93/56/81/1224935681.db2.gz KZSWMXDRZCFQCM-MSOLQXFVSA-N 2 2 365.522 0.902 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001094254061 1206211488 /nfs/dbraw/zinc/21/14/88/1206211488.db2.gz OEJVXKYOCYWAGY-RHSMWYFYSA-N 2 2 355.442 0.866 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384791 1206222369 /nfs/dbraw/zinc/22/23/69/1206222369.db2.gz JIGJFFFCHJFWCR-ZHALLVOQSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384791 1206222370 /nfs/dbraw/zinc/22/23/70/1206222370.db2.gz JIGJFFFCHJFWCR-ZHALLVOQSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@H+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384791 1206222371 /nfs/dbraw/zinc/22/23/71/1206222371.db2.gz JIGJFFFCHJFWCR-ZHALLVOQSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)n1 ZINC001094384791 1206222372 /nfs/dbraw/zinc/22/23/72/1206222372.db2.gz JIGJFFFCHJFWCR-ZHALLVOQSA-N 2 2 361.490 0.612 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094454161 1206228714 /nfs/dbraw/zinc/22/87/14/1206228714.db2.gz NYSLEWMUVFTHDF-CRAIPNDOSA-N 2 2 363.462 0.457 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+](C)C)on3)CCC[C@@H]12 ZINC001094454161 1206228718 /nfs/dbraw/zinc/22/87/18/1206228718.db2.gz NYSLEWMUVFTHDF-CRAIPNDOSA-N 2 2 363.462 0.457 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC001094559132 1206241461 /nfs/dbraw/zinc/24/14/61/1206241461.db2.gz DXALTGSYZPEVMR-VQIMIIECSA-N 2 2 368.441 0.727 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC001094559132 1206241462 /nfs/dbraw/zinc/24/14/62/1206241462.db2.gz DXALTGSYZPEVMR-VQIMIIECSA-N 2 2 368.441 0.727 20 0 FCADLP CCCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783858 1206246868 /nfs/dbraw/zinc/24/68/68/1206246868.db2.gz YJDWISUNCUFXRQ-FVQBIDKESA-N 2 2 359.474 0.725 20 0 FCADLP O=C1CC[C@H]2C[C@H]([N@@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176113 1206258666 /nfs/dbraw/zinc/25/86/66/1206258666.db2.gz WFKCLRVYBBZEBL-CABCVRRESA-N 2 2 355.446 0.882 20 0 FCADLP O=C1CC[C@H]2C[C@H]([N@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176113 1206258671 /nfs/dbraw/zinc/25/86/71/1206258671.db2.gz WFKCLRVYBBZEBL-CABCVRRESA-N 2 2 355.446 0.882 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173571406 1206281144 /nfs/dbraw/zinc/28/11/44/1206281144.db2.gz WPDKHOJGIWLHQU-WCXIOVBPSA-N 2 2 368.474 0.818 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173571406 1206281145 /nfs/dbraw/zinc/28/11/45/1206281145.db2.gz WPDKHOJGIWLHQU-WCXIOVBPSA-N 2 2 368.474 0.818 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242653 1206285648 /nfs/dbraw/zinc/28/56/48/1206285648.db2.gz XODJYKINADIOIZ-FXUDXRNXSA-N 2 2 370.457 0.338 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242653 1206285651 /nfs/dbraw/zinc/28/56/51/1206285651.db2.gz XODJYKINADIOIZ-FXUDXRNXSA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242653 1206285653 /nfs/dbraw/zinc/28/56/53/1206285653.db2.gz XODJYKINADIOIZ-FXUDXRNXSA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001095242653 1206285654 /nfs/dbraw/zinc/28/56/54/1206285654.db2.gz XODJYKINADIOIZ-FXUDXRNXSA-N 2 2 370.457 0.338 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755231 1206287899 /nfs/dbraw/zinc/28/78/99/1206287899.db2.gz UOJNVUMFVBFOFZ-JKSUJKDBSA-N 2 2 361.494 0.833 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755231 1206287900 /nfs/dbraw/zinc/28/79/00/1206287900.db2.gz UOJNVUMFVBFOFZ-JKSUJKDBSA-N 2 2 361.494 0.833 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O)C(C)C ZINC001220575307 1224942951 /nfs/dbraw/zinc/94/29/51/1224942951.db2.gz SEZMBMAEZHDUGO-SQNIBIBYSA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O)C(C)C ZINC001220575307 1224942961 /nfs/dbraw/zinc/94/29/61/1224942961.db2.gz SEZMBMAEZHDUGO-SQNIBIBYSA-N 2 2 363.506 0.813 20 0 FCADLP C[NH+](C)CCOCc1ncn2c1CN(C(=O)CCn1cc[nH+]c1)CCC2 ZINC001176877344 1206323925 /nfs/dbraw/zinc/32/39/25/1206323925.db2.gz BAQVICKEQKSYHS-UHFFFAOYSA-N 2 2 360.462 0.980 20 0 FCADLP O=C(CCn1cc[nH+]c1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001176873729 1206324271 /nfs/dbraw/zinc/32/42/71/1206324271.db2.gz CMMHRLJETZIALT-HRCADAONSA-N 2 2 356.430 0.721 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178932828 1206367734 /nfs/dbraw/zinc/36/77/34/1206367734.db2.gz WGBIIFFSIIFTIZ-XZDPQHSOSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178932828 1206367737 /nfs/dbraw/zinc/36/77/37/1206367737.db2.gz WGBIIFFSIIFTIZ-XZDPQHSOSA-N 2 2 359.474 0.961 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220584883 1224949368 /nfs/dbraw/zinc/94/93/68/1224949368.db2.gz NNVAFOIOYYFQET-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220584883 1224949373 /nfs/dbraw/zinc/94/93/73/1224949373.db2.gz NNVAFOIOYYFQET-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220578626 1224945858 /nfs/dbraw/zinc/94/58/58/1224945858.db2.gz LEFMIMSAUCKWDQ-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ncccn1 ZINC001181873897 1206416536 /nfs/dbraw/zinc/41/65/36/1206416536.db2.gz GTRQLHLENQQSCZ-YKTARERQSA-N 2 2 361.490 0.770 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1ncccn1 ZINC001181873897 1206416537 /nfs/dbraw/zinc/41/65/37/1206416537.db2.gz GTRQLHLENQQSCZ-YKTARERQSA-N 2 2 361.490 0.770 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001182654242 1206441594 /nfs/dbraw/zinc/44/15/94/1206441594.db2.gz GWRAZBXFVKDKKY-WCXIOVBPSA-N 2 2 362.474 0.352 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001182838974 1206444679 /nfs/dbraw/zinc/44/46/79/1206444679.db2.gz XNLQCUDUYFDWSN-LUKYLMHMSA-N 2 2 359.474 0.917 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001182838974 1206444681 /nfs/dbraw/zinc/44/46/81/1206444681.db2.gz XNLQCUDUYFDWSN-LUKYLMHMSA-N 2 2 359.474 0.917 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183372952 1206453099 /nfs/dbraw/zinc/45/30/99/1206453099.db2.gz LDCXLEBTENVFJG-OAFZBRQQSA-N 2 2 367.490 0.582 20 0 FCADLP CC[C@](C)(O)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001184257708 1206467391 /nfs/dbraw/zinc/46/73/91/1206467391.db2.gz IKJYGTNUINGLRM-SFHVURJKSA-N 2 2 368.522 0.234 20 0 FCADLP CC[C@](C)(O)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001184257708 1206467392 /nfs/dbraw/zinc/46/73/92/1206467392.db2.gz IKJYGTNUINGLRM-SFHVURJKSA-N 2 2 368.522 0.234 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001186034395 1206491027 /nfs/dbraw/zinc/49/10/27/1206491027.db2.gz SMDAPHFGOLMOSW-QGZVFWFLSA-N 2 2 363.458 0.080 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001186034395 1206491028 /nfs/dbraw/zinc/49/10/28/1206491028.db2.gz SMDAPHFGOLMOSW-QGZVFWFLSA-N 2 2 363.458 0.080 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186502696 1206498083 /nfs/dbraw/zinc/49/80/83/1206498083.db2.gz AMUQRNQYDVSUPA-BZUAXINKSA-N 2 2 362.474 0.361 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326307 1206521153 /nfs/dbraw/zinc/52/11/53/1206521153.db2.gz KVNQYIVNOIXSLE-USXIJHARSA-N 2 2 360.458 0.523 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326307 1206521154 /nfs/dbraw/zinc/52/11/54/1206521154.db2.gz KVNQYIVNOIXSLE-USXIJHARSA-N 2 2 360.458 0.523 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326307 1206521156 /nfs/dbraw/zinc/52/11/56/1206521156.db2.gz KVNQYIVNOIXSLE-USXIJHARSA-N 2 2 360.458 0.523 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220599913 1224959756 /nfs/dbraw/zinc/95/97/56/1224959756.db2.gz SCEWNCFYTHZGIN-KSZLIROESA-N 2 2 369.506 0.075 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220599913 1224959771 /nfs/dbraw/zinc/95/97/71/1224959771.db2.gz SCEWNCFYTHZGIN-KSZLIROESA-N 2 2 369.506 0.075 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001188219748 1207435849 /nfs/dbraw/zinc/43/58/49/1207435849.db2.gz YWWPVQZTAXWKLI-FUHWJXTLSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001188219748 1207435853 /nfs/dbraw/zinc/43/58/53/1207435853.db2.gz YWWPVQZTAXWKLI-FUHWJXTLSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001188219748 1207435855 /nfs/dbraw/zinc/43/58/55/1207435855.db2.gz YWWPVQZTAXWKLI-FUHWJXTLSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21)C1CCC1 ZINC001188219748 1207435859 /nfs/dbraw/zinc/43/58/59/1207435859.db2.gz YWWPVQZTAXWKLI-FUHWJXTLSA-N 2 2 362.518 0.920 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188314066 1207443241 /nfs/dbraw/zinc/44/32/41/1207443241.db2.gz FNJCJYOJRIFVSG-RRFJBIMHSA-N 2 2 367.494 0.095 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188382992 1207449037 /nfs/dbraw/zinc/44/90/37/1207449037.db2.gz LRHCMYINAFXJQI-IXDOHACOSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188382992 1207449038 /nfs/dbraw/zinc/44/90/38/1207449038.db2.gz LRHCMYINAFXJQI-IXDOHACOSA-N 2 2 362.474 0.641 20 0 FCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)ccn1 ZINC001188782684 1207481860 /nfs/dbraw/zinc/48/18/60/1207481860.db2.gz QKSJZHNRQNZEOH-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)ccn1 ZINC001188782684 1207481862 /nfs/dbraw/zinc/48/18/62/1207481862.db2.gz QKSJZHNRQNZEOH-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424823 1207547678 /nfs/dbraw/zinc/54/76/78/1207547678.db2.gz DTOSQJIFXZBQAN-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424823 1207547681 /nfs/dbraw/zinc/54/76/81/1207547681.db2.gz DTOSQJIFXZBQAN-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220673691 1225004383 /nfs/dbraw/zinc/00/43/83/1225004383.db2.gz IZQXEZQKOMWNBP-IAGOWNOFSA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220673691 1225004392 /nfs/dbraw/zinc/00/43/92/1225004392.db2.gz IZQXEZQKOMWNBP-IAGOWNOFSA-N 2 2 354.458 0.957 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189953027 1207627811 /nfs/dbraw/zinc/62/78/11/1207627811.db2.gz IOBRZSHLXYQXGK-LZLYRXPVSA-N 2 2 364.490 0.827 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001189953027 1207627815 /nfs/dbraw/zinc/62/78/15/1207627815.db2.gz IOBRZSHLXYQXGK-LZLYRXPVSA-N 2 2 364.490 0.827 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176262 1207657251 /nfs/dbraw/zinc/65/72/51/1207657251.db2.gz DUAFRSGRQNNABZ-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176262 1207657258 /nfs/dbraw/zinc/65/72/58/1207657258.db2.gz DUAFRSGRQNNABZ-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001190239554 1207666604 /nfs/dbraw/zinc/66/66/04/1207666604.db2.gz VATBJWBJRHUGED-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001190239554 1207666608 /nfs/dbraw/zinc/66/66/08/1207666608.db2.gz VATBJWBJRHUGED-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001190239554 1207666613 /nfs/dbraw/zinc/66/66/13/1207666613.db2.gz VATBJWBJRHUGED-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001190239554 1207666618 /nfs/dbraw/zinc/66/66/18/1207666618.db2.gz VATBJWBJRHUGED-RBSFLKMASA-N 2 2 363.462 0.794 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001190237385 1207671897 /nfs/dbraw/zinc/67/18/97/1207671897.db2.gz AZDVKPBVXDBROZ-QLFBSQMISA-N 2 2 360.462 0.288 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001190237385 1207671898 /nfs/dbraw/zinc/67/18/98/1207671898.db2.gz AZDVKPBVXDBROZ-QLFBSQMISA-N 2 2 360.462 0.288 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001190237385 1207671899 /nfs/dbraw/zinc/67/18/99/1207671899.db2.gz AZDVKPBVXDBROZ-QLFBSQMISA-N 2 2 360.462 0.288 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001190237385 1207671900 /nfs/dbraw/zinc/67/19/00/1207671900.db2.gz AZDVKPBVXDBROZ-QLFBSQMISA-N 2 2 360.462 0.288 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001190370594 1207682629 /nfs/dbraw/zinc/68/26/29/1207682629.db2.gz GLPYRWLVYLSSFW-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001190370594 1207682635 /nfs/dbraw/zinc/68/26/35/1207682635.db2.gz GLPYRWLVYLSSFW-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001190370594 1207682639 /nfs/dbraw/zinc/68/26/39/1207682639.db2.gz GLPYRWLVYLSSFW-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001190370594 1207682643 /nfs/dbraw/zinc/68/26/43/1207682643.db2.gz GLPYRWLVYLSSFW-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC001190857812 1207732506 /nfs/dbraw/zinc/73/25/06/1207732506.db2.gz QCVYSTUCZSKFFV-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC001190857812 1207732511 /nfs/dbraw/zinc/73/25/11/1207732511.db2.gz QCVYSTUCZSKFFV-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802441 1207809895 /nfs/dbraw/zinc/80/98/95/1207809895.db2.gz RLSVFGJDSNILBF-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802441 1207809897 /nfs/dbraw/zinc/80/98/97/1207809897.db2.gz RLSVFGJDSNILBF-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802441 1207809898 /nfs/dbraw/zinc/80/98/98/1207809898.db2.gz RLSVFGJDSNILBF-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014764 1207816228 /nfs/dbraw/zinc/81/62/28/1207816228.db2.gz VBZUCLQZGFHANJ-KURKYZTESA-N 2 2 369.506 0.075 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014764 1207816229 /nfs/dbraw/zinc/81/62/29/1207816229.db2.gz VBZUCLQZGFHANJ-KURKYZTESA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014764 1207816230 /nfs/dbraw/zinc/81/62/30/1207816230.db2.gz VBZUCLQZGFHANJ-KURKYZTESA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014764 1207816231 /nfs/dbraw/zinc/81/62/31/1207816231.db2.gz VBZUCLQZGFHANJ-KURKYZTESA-N 2 2 369.506 0.075 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192632963 1207841167 /nfs/dbraw/zinc/84/11/67/1207841167.db2.gz ORXYBTJHQQUXHT-NVXWUHKLSA-N 2 2 357.458 0.770 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192632963 1207841169 /nfs/dbraw/zinc/84/11/69/1207841169.db2.gz ORXYBTJHQQUXHT-NVXWUHKLSA-N 2 2 357.458 0.770 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193446951 1207872723 /nfs/dbraw/zinc/87/27/23/1207872723.db2.gz FDEKNPXGUSVYFE-USXIJHARSA-N 2 2 370.469 0.887 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O ZINC001193737603 1207886742 /nfs/dbraw/zinc/88/67/42/1207886742.db2.gz BYZXMBMGIQXCFB-KZNAEPCWSA-N 2 2 357.458 0.175 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001193737603 1207886743 /nfs/dbraw/zinc/88/67/43/1207886743.db2.gz BYZXMBMGIQXCFB-KZNAEPCWSA-N 2 2 357.458 0.175 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791020 1207889308 /nfs/dbraw/zinc/88/93/08/1207889308.db2.gz AWRZHOIQLRENLN-NUJGCVRESA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791020 1207889311 /nfs/dbraw/zinc/88/93/11/1207889311.db2.gz AWRZHOIQLRENLN-NUJGCVRESA-N 2 2 365.449 0.836 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CC1 ZINC001194032222 1207908312 /nfs/dbraw/zinc/90/83/12/1207908312.db2.gz NEEFAUNWVHSXSC-BRWVUGGUSA-N 2 2 364.490 0.903 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CC1 ZINC001194032222 1207908316 /nfs/dbraw/zinc/90/83/16/1207908316.db2.gz NEEFAUNWVHSXSC-BRWVUGGUSA-N 2 2 364.490 0.903 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039035 1207909531 /nfs/dbraw/zinc/90/95/31/1207909531.db2.gz LQUCBPHHFJNMBD-BZUAXINKSA-N 2 2 366.506 0.068 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039035 1207909536 /nfs/dbraw/zinc/90/95/36/1207909536.db2.gz LQUCBPHHFJNMBD-BZUAXINKSA-N 2 2 366.506 0.068 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O)[NH+](C)C ZINC001194102119 1207918713 /nfs/dbraw/zinc/91/87/13/1207918713.db2.gz CEVGODWINJFYBL-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O)[NH+](C)C ZINC001194102119 1207918721 /nfs/dbraw/zinc/91/87/21/1207918721.db2.gz CEVGODWINJFYBL-BRWVUGGUSA-N 2 2 368.522 0.135 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243766 1207926704 /nfs/dbraw/zinc/92/67/04/1207926704.db2.gz CVDONESQFSFKQX-ZTFGCOKTSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194243766 1207926707 /nfs/dbraw/zinc/92/67/07/1207926707.db2.gz CVDONESQFSFKQX-ZTFGCOKTSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243766 1207926709 /nfs/dbraw/zinc/92/67/09/1207926709.db2.gz CVDONESQFSFKQX-ZTFGCOKTSA-N 2 2 364.490 0.801 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194243766 1207926712 /nfs/dbraw/zinc/92/67/12/1207926712.db2.gz CVDONESQFSFKQX-ZTFGCOKTSA-N 2 2 364.490 0.801 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264692 1207928461 /nfs/dbraw/zinc/92/84/61/1207928461.db2.gz DSKPTRNKHNWOSN-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264692 1207928463 /nfs/dbraw/zinc/92/84/63/1207928463.db2.gz DSKPTRNKHNWOSN-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264692 1207928465 /nfs/dbraw/zinc/92/84/65/1207928465.db2.gz DSKPTRNKHNWOSN-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1O ZINC001194264692 1207928467 /nfs/dbraw/zinc/92/84/67/1207928467.db2.gz DSKPTRNKHNWOSN-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729609 1207971808 /nfs/dbraw/zinc/97/18/08/1207971808.db2.gz YHIHOZYPXPTZES-RBSFLKMASA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729609 1207971812 /nfs/dbraw/zinc/97/18/12/1207971812.db2.gz YHIHOZYPXPTZES-RBSFLKMASA-N 2 2 365.478 0.046 20 0 FCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869446 1208045041 /nfs/dbraw/zinc/04/50/41/1208045041.db2.gz DEPWACQXPBKWBW-DJIMGWMZSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869446 1208045044 /nfs/dbraw/zinc/04/50/44/1208045044.db2.gz DEPWACQXPBKWBW-DJIMGWMZSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196114905 1208058490 /nfs/dbraw/zinc/05/84/90/1208058490.db2.gz GLHOABNGOAOADK-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196114905 1208058495 /nfs/dbraw/zinc/05/84/95/1208058495.db2.gz GLHOABNGOAOADK-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115405 1208058798 /nfs/dbraw/zinc/05/87/98/1208058798.db2.gz MWKFYCVABANXMP-IXDOHACOSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115405 1208058802 /nfs/dbraw/zinc/05/88/02/1208058802.db2.gz MWKFYCVABANXMP-IXDOHACOSA-N 2 2 364.490 0.872 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185564 1208059716 /nfs/dbraw/zinc/05/97/16/1208059716.db2.gz ZRYPFOACJSEKFE-KBRIMQKVSA-N 2 2 366.462 0.206 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185564 1208059720 /nfs/dbraw/zinc/05/97/20/1208059720.db2.gz ZRYPFOACJSEKFE-KBRIMQKVSA-N 2 2 366.462 0.206 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168486 1208063382 /nfs/dbraw/zinc/06/33/82/1208063382.db2.gz KWRTUYPKIXYJFM-KBAYOESNSA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168486 1208063386 /nfs/dbraw/zinc/06/33/86/1208063386.db2.gz KWRTUYPKIXYJFM-KBAYOESNSA-N 2 2 364.490 0.732 20 0 FCADLP COCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001196594592 1208092739 /nfs/dbraw/zinc/09/27/39/1208092739.db2.gz OJKVVTTZCYXJTC-MSOLQXFVSA-N 2 2 369.506 0.437 20 0 FCADLP COCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001196594592 1208092741 /nfs/dbraw/zinc/09/27/41/1208092741.db2.gz OJKVVTTZCYXJTC-MSOLQXFVSA-N 2 2 369.506 0.437 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636945 1208098597 /nfs/dbraw/zinc/09/85/97/1208098597.db2.gz GKHSLHKKLQGLCT-FVQBIDKESA-N 2 2 368.522 0.183 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636945 1208098599 /nfs/dbraw/zinc/09/85/99/1208098599.db2.gz GKHSLHKKLQGLCT-FVQBIDKESA-N 2 2 368.522 0.183 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@H]1O ZINC001196925360 1208119488 /nfs/dbraw/zinc/11/94/88/1208119488.db2.gz KNCUUJYJTMXHCH-KBRIMQKVSA-N 2 2 358.446 0.684 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@H]1O ZINC001196925360 1208119490 /nfs/dbraw/zinc/11/94/90/1208119490.db2.gz KNCUUJYJTMXHCH-KBRIMQKVSA-N 2 2 358.446 0.684 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001197001047 1208129063 /nfs/dbraw/zinc/12/90/63/1208129063.db2.gz QJMPWHYEURYHTQ-HZPDHXFCSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001197001047 1208129066 /nfs/dbraw/zinc/12/90/66/1208129066.db2.gz QJMPWHYEURYHTQ-HZPDHXFCSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001197001047 1208129068 /nfs/dbraw/zinc/12/90/68/1208129068.db2.gz QJMPWHYEURYHTQ-HZPDHXFCSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001197001047 1208129072 /nfs/dbraw/zinc/12/90/72/1208129072.db2.gz QJMPWHYEURYHTQ-HZPDHXFCSA-N 2 2 370.538 0.575 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220740195 1225047225 /nfs/dbraw/zinc/04/72/25/1225047225.db2.gz BMXJPSULHFVJBN-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220740195 1225047231 /nfs/dbraw/zinc/04/72/31/1225047231.db2.gz BMXJPSULHFVJBN-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197049619 1208130707 /nfs/dbraw/zinc/13/07/07/1208130707.db2.gz OKCCVLKOFAMBNL-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197049619 1208130711 /nfs/dbraw/zinc/13/07/11/1208130711.db2.gz OKCCVLKOFAMBNL-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049377 1208131191 /nfs/dbraw/zinc/13/11/91/1208131191.db2.gz NEORHWAGWYXTOC-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049377 1208131195 /nfs/dbraw/zinc/13/11/95/1208131195.db2.gz NEORHWAGWYXTOC-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001197057890 1208132669 /nfs/dbraw/zinc/13/26/69/1208132669.db2.gz LEFMIMSAUCKWDQ-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001197057890 1208132673 /nfs/dbraw/zinc/13/26/73/1208132673.db2.gz LEFMIMSAUCKWDQ-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493567 1208171741 /nfs/dbraw/zinc/17/17/41/1208171741.db2.gz SGVTXOAPGFAANP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493567 1208171745 /nfs/dbraw/zinc/17/17/45/1208171745.db2.gz SGVTXOAPGFAANP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493567 1208171751 /nfs/dbraw/zinc/17/17/51/1208171751.db2.gz SGVTXOAPGFAANP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493567 1208171755 /nfs/dbraw/zinc/17/17/55/1208171755.db2.gz SGVTXOAPGFAANP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)[C@@](C)(C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220738252 1225046685 /nfs/dbraw/zinc/04/66/85/1225046685.db2.gz UGEKMLCOJIJYIL-WSTZPKSXSA-N 2 2 371.485 0.521 20 0 FCADLP C[NH+](C)[C@@](C)(C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)c1ccccc1 ZINC001220738252 1225046692 /nfs/dbraw/zinc/04/66/92/1225046692.db2.gz UGEKMLCOJIJYIL-WSTZPKSXSA-N 2 2 371.485 0.521 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001220740396 1225047491 /nfs/dbraw/zinc/04/74/91/1225047491.db2.gz HWXVVTYAAWSGDT-SJORKVTESA-N 2 2 370.538 0.575 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@@H]1O ZINC001220740396 1225047494 /nfs/dbraw/zinc/04/74/94/1225047494.db2.gz HWXVVTYAAWSGDT-SJORKVTESA-N 2 2 370.538 0.575 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197690038 1208186844 /nfs/dbraw/zinc/18/68/44/1208186844.db2.gz RFPYXCUHJBVHJL-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001197690038 1208186846 /nfs/dbraw/zinc/18/68/46/1208186846.db2.gz RFPYXCUHJBVHJL-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP COc1ccc(CC[NH+]2CCC(NC(=O)C3([NH3+])CC[NH2+]CC3)CC2)cc1 ZINC001220743537 1225048340 /nfs/dbraw/zinc/04/83/40/1225048340.db2.gz GPRPTFVYNIAYCX-UHFFFAOYSA-N 3 2 360.502 0.899 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197783053 1208196018 /nfs/dbraw/zinc/19/60/18/1208196018.db2.gz MXJISIBJCRAWNA-HUUCEWRRSA-N 2 2 368.478 0.346 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197783053 1208196020 /nfs/dbraw/zinc/19/60/20/1208196020.db2.gz MXJISIBJCRAWNA-HUUCEWRRSA-N 2 2 368.478 0.346 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)c1 ZINC001198285610 1208234796 /nfs/dbraw/zinc/23/47/96/1208234796.db2.gz MZBGLBYQYPFYPO-RTBURBONSA-N 2 2 371.485 0.780 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)c1 ZINC001198285610 1208234801 /nfs/dbraw/zinc/23/48/01/1208234801.db2.gz MZBGLBYQYPFYPO-RTBURBONSA-N 2 2 371.485 0.780 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511788 1208262335 /nfs/dbraw/zinc/26/23/35/1208262335.db2.gz USTYWROHEWVJPK-FPCVCCKLSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511788 1208262338 /nfs/dbraw/zinc/26/23/38/1208262338.db2.gz USTYWROHEWVJPK-FPCVCCKLSA-N 2 2 366.462 0.088 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C1CC1 ZINC001199096788 1208317384 /nfs/dbraw/zinc/31/73/84/1208317384.db2.gz SNJDCXSXXCLPAP-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C1CC1 ZINC001199096788 1208317387 /nfs/dbraw/zinc/31/73/87/1208317387.db2.gz SNJDCXSXXCLPAP-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1)C1CC1 ZINC001199096788 1208317390 /nfs/dbraw/zinc/31/73/90/1208317390.db2.gz SNJDCXSXXCLPAP-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)C1CC1 ZINC001199096788 1208317393 /nfs/dbraw/zinc/31/73/93/1208317393.db2.gz SNJDCXSXXCLPAP-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128064 1208319872 /nfs/dbraw/zinc/31/98/72/1208319872.db2.gz NCGFTFHFCOODAJ-KZNAEPCWSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128064 1208319874 /nfs/dbraw/zinc/31/98/74/1208319874.db2.gz NCGFTFHFCOODAJ-KZNAEPCWSA-N 2 2 363.506 0.510 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)cn1 ZINC001199119380 1208322132 /nfs/dbraw/zinc/32/21/32/1208322132.db2.gz CCYFWYGBCFBOBG-GUDVDZBRSA-N 2 2 371.485 0.427 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)cn1 ZINC001199119380 1208322133 /nfs/dbraw/zinc/32/21/33/1208322133.db2.gz CCYFWYGBCFBOBG-GUDVDZBRSA-N 2 2 371.485 0.427 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220768465 1225062885 /nfs/dbraw/zinc/06/28/85/1225062885.db2.gz NDGVENPHNRNHDP-CABCVRRESA-N 2 2 368.478 0.175 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220768465 1225062888 /nfs/dbraw/zinc/06/28/88/1225062888.db2.gz NDGVENPHNRNHDP-CABCVRRESA-N 2 2 368.478 0.175 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001201125361 1208447496 /nfs/dbraw/zinc/44/74/96/1208447496.db2.gz SVHHZUYPOBGMMC-BZUAXINKSA-N 2 2 358.446 0.351 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001201125361 1208447499 /nfs/dbraw/zinc/44/74/99/1208447499.db2.gz SVHHZUYPOBGMMC-BZUAXINKSA-N 2 2 358.446 0.351 20 0 FCADLP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125335 1208447817 /nfs/dbraw/zinc/44/78/17/1208447817.db2.gz RPZHLKXKMTZRTA-HZPDHXFCSA-N 2 2 363.462 0.247 20 0 FCADLP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125335 1208447820 /nfs/dbraw/zinc/44/78/20/1208447820.db2.gz RPZHLKXKMTZRTA-HZPDHXFCSA-N 2 2 363.462 0.247 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802329 1225080811 /nfs/dbraw/zinc/08/08/11/1225080811.db2.gz VFRFMVJBAKZEHG-ZACQAIPSSA-N 2 2 370.538 0.430 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802329 1225080818 /nfs/dbraw/zinc/08/08/18/1225080818.db2.gz VFRFMVJBAKZEHG-ZACQAIPSSA-N 2 2 370.538 0.430 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807594 1225081872 /nfs/dbraw/zinc/08/18/72/1225081872.db2.gz YHIZSOVNLVDNJK-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807594 1225081880 /nfs/dbraw/zinc/08/18/80/1225081880.db2.gz YHIZSOVNLVDNJK-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822273 1225089317 /nfs/dbraw/zinc/08/93/17/1225089317.db2.gz QZEOFQNUKSJDBQ-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822273 1225089322 /nfs/dbraw/zinc/08/93/22/1225089322.db2.gz QZEOFQNUKSJDBQ-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822273 1225089327 /nfs/dbraw/zinc/08/93/27/1225089327.db2.gz QZEOFQNUKSJDBQ-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220822273 1225089332 /nfs/dbraw/zinc/08/93/32/1225089332.db2.gz QZEOFQNUKSJDBQ-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001489537188 1208898119 /nfs/dbraw/zinc/89/81/19/1208898119.db2.gz XUFSWFUQODOHHV-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001220888655 1225124621 /nfs/dbraw/zinc/12/46/21/1225124621.db2.gz RYJADOBDAFUKJC-SJORKVTESA-N 2 2 360.462 0.028 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001220888655 1225124624 /nfs/dbraw/zinc/12/46/24/1225124624.db2.gz RYJADOBDAFUKJC-SJORKVTESA-N 2 2 360.462 0.028 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000851686670 1209512799 /nfs/dbraw/zinc/51/27/99/1209512799.db2.gz ROHIVJGMTKKIDL-AWEZNQCLSA-N 2 2 361.490 0.562 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1)C1CC1 ZINC001110661715 1209585863 /nfs/dbraw/zinc/58/58/63/1209585863.db2.gz AWOXIDLJBLQEBQ-VXIBKDFQSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1)C1CC1 ZINC001110661715 1209585867 /nfs/dbraw/zinc/58/58/67/1209585867.db2.gz AWOXIDLJBLQEBQ-VXIBKDFQSA-N 2 2 362.518 0.964 20 0 FCADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853741244 1209604840 /nfs/dbraw/zinc/60/48/40/1209604840.db2.gz DUKZWAVTPJUQQT-MSOLQXFVSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853741247 1209605010 /nfs/dbraw/zinc/60/50/10/1209605010.db2.gz DUKZWAVTPJUQQT-ROUUACIJSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001110731246 1209763184 /nfs/dbraw/zinc/76/31/84/1209763184.db2.gz QKAAMMRPFNQHFA-AHCXZYCDSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001110731246 1209763188 /nfs/dbraw/zinc/76/31/88/1209763188.db2.gz QKAAMMRPFNQHFA-AHCXZYCDSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001110741245 1209780381 /nfs/dbraw/zinc/78/03/81/1209780381.db2.gz XINSBXJODDBASZ-IDCNUPLLSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001110741245 1209780386 /nfs/dbraw/zinc/78/03/86/1209780386.db2.gz XINSBXJODDBASZ-IDCNUPLLSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220975492 1225169365 /nfs/dbraw/zinc/16/93/65/1225169365.db2.gz XYYTYEQEIHVKMS-UHFFFAOYSA-N 2 2 362.449 0.286 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)C(C)C ZINC001220979186 1225170368 /nfs/dbraw/zinc/17/03/68/1225170368.db2.gz FVTDWRNGMWIXSS-ZACQAIPSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)C(C)C ZINC001220979186 1225170372 /nfs/dbraw/zinc/17/03/72/1225170372.db2.gz FVTDWRNGMWIXSS-ZACQAIPSSA-N 2 2 368.522 0.277 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001110816873 1209910482 /nfs/dbraw/zinc/91/04/82/1209910482.db2.gz BWCFINFXJSDRIW-ZACQAIPSSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001110816873 1209910488 /nfs/dbraw/zinc/91/04/88/1209910488.db2.gz BWCFINFXJSDRIW-ZACQAIPSSA-N 2 2 359.474 0.781 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 ZINC001220984851 1225175196 /nfs/dbraw/zinc/17/51/96/1225175196.db2.gz HVQWCVUECRTYHA-YXWQFLTLSA-N 2 2 360.433 0.756 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001220986245 1225175479 /nfs/dbraw/zinc/17/54/79/1225175479.db2.gz XYMNZXSQSRHGDV-OLMNPRSZSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]1O ZINC001220986245 1225175484 /nfs/dbraw/zinc/17/54/84/1225175484.db2.gz XYMNZXSQSRHGDV-OLMNPRSZSA-N 2 2 365.449 0.455 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000865132374 1209971978 /nfs/dbraw/zinc/97/19/78/1209971978.db2.gz LPHMLLYLEGYQQC-QPJJXVBHSA-N 2 2 374.485 0.483 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000865132373 1209972007 /nfs/dbraw/zinc/97/20/07/1209972007.db2.gz LPHMLLYLEGYQQC-DAXSKMNVSA-N 2 2 374.485 0.483 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000866556343 1209999032 /nfs/dbraw/zinc/99/90/32/1209999032.db2.gz RYWYNWSEHIGFCB-IMFGXOCKSA-N 2 2 374.485 0.509 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000866556343 1209999035 /nfs/dbraw/zinc/99/90/35/1209999035.db2.gz RYWYNWSEHIGFCB-IMFGXOCKSA-N 2 2 374.485 0.509 20 0 FCADLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866710300 1210004188 /nfs/dbraw/zinc/00/41/88/1210004188.db2.gz XVYKCVWBJDZNOI-OIISXLGYSA-N 2 2 374.441 0.891 20 0 FCADLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866710300 1210004193 /nfs/dbraw/zinc/00/41/93/1210004193.db2.gz XVYKCVWBJDZNOI-OIISXLGYSA-N 2 2 374.441 0.891 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994487 1225180074 /nfs/dbraw/zinc/18/00/74/1225180074.db2.gz TUPRKWPYCKBWDZ-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994487 1225180076 /nfs/dbraw/zinc/18/00/76/1225180076.db2.gz TUPRKWPYCKBWDZ-ZACQAIPSSA-N 2 2 368.522 0.329 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000875214520 1210352357 /nfs/dbraw/zinc/35/23/57/1210352357.db2.gz PSUHLAVMXMPRAN-IXDOHACOSA-N 2 2 360.502 0.696 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000875214520 1210352362 /nfs/dbraw/zinc/35/23/62/1210352362.db2.gz PSUHLAVMXMPRAN-IXDOHACOSA-N 2 2 360.502 0.696 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000875347603 1210367869 /nfs/dbraw/zinc/36/78/69/1210367869.db2.gz RVUREUDXIZTKIX-FCEWJHQRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000875347603 1210367877 /nfs/dbraw/zinc/36/78/77/1210367877.db2.gz RVUREUDXIZTKIX-FCEWJHQRSA-N 2 2 368.522 0.774 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001221068077 1225207609 /nfs/dbraw/zinc/20/76/09/1225207609.db2.gz HWDSPLWXKFKWNL-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001221068077 1225207613 /nfs/dbraw/zinc/20/76/13/1225207613.db2.gz HWDSPLWXKFKWNL-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000877229831 1210440199 /nfs/dbraw/zinc/44/01/99/1210440199.db2.gz RDQZCMAYHLOJDJ-KRWDZBQOSA-N 2 2 355.442 0.875 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000877229831 1210440210 /nfs/dbraw/zinc/44/02/10/1210440210.db2.gz RDQZCMAYHLOJDJ-KRWDZBQOSA-N 2 2 355.442 0.875 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cnc(C[NH3+])nc3)C2)c1 ZINC000877248088 1210440726 /nfs/dbraw/zinc/44/07/26/1210440726.db2.gz FNYLJZIWKMMMBG-KRWDZBQOSA-N 2 2 355.442 0.875 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cnc(C[NH3+])nc3)C2)c1 ZINC000877248088 1210440731 /nfs/dbraw/zinc/44/07/31/1210440731.db2.gz FNYLJZIWKMMMBG-KRWDZBQOSA-N 2 2 355.442 0.875 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081660 1225213717 /nfs/dbraw/zinc/21/37/17/1225213717.db2.gz RSJHRSUOHIHGPY-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081660 1225213722 /nfs/dbraw/zinc/21/37/22/1225213722.db2.gz RSJHRSUOHIHGPY-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570252 1210489259 /nfs/dbraw/zinc/48/92/59/1210489259.db2.gz DXEVMBSHSAOKRU-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570252 1210489261 /nfs/dbraw/zinc/48/92/61/1210489261.db2.gz DXEVMBSHSAOKRU-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570252 1210489265 /nfs/dbraw/zinc/48/92/65/1210489265.db2.gz DXEVMBSHSAOKRU-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570252 1210489271 /nfs/dbraw/zinc/48/92/71/1210489271.db2.gz DXEVMBSHSAOKRU-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001221091826 1225218899 /nfs/dbraw/zinc/21/88/99/1225218899.db2.gz XWPCSPBUUAJIGX-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001221091826 1225218906 /nfs/dbraw/zinc/21/89/06/1225218906.db2.gz XWPCSPBUUAJIGX-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001221091826 1225218908 /nfs/dbraw/zinc/21/89/08/1225218908.db2.gz XWPCSPBUUAJIGX-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001221091826 1225218917 /nfs/dbraw/zinc/21/89/17/1225218917.db2.gz XWPCSPBUUAJIGX-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001221091666 1225217404 /nfs/dbraw/zinc/21/74/04/1225217404.db2.gz SLNSUOFUHIJGJC-SJORKVTESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001221091666 1225217408 /nfs/dbraw/zinc/21/74/08/1225217408.db2.gz SLNSUOFUHIJGJC-SJORKVTESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001221091666 1225217412 /nfs/dbraw/zinc/21/74/12/1225217412.db2.gz SLNSUOFUHIJGJC-SJORKVTESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001221091666 1225217413 /nfs/dbraw/zinc/21/74/13/1225217413.db2.gz SLNSUOFUHIJGJC-SJORKVTESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091524 1225217443 /nfs/dbraw/zinc/21/74/43/1225217443.db2.gz PWSHPUYUYOHCKK-OIISXLGYSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091524 1225217446 /nfs/dbraw/zinc/21/74/46/1225217446.db2.gz PWSHPUYUYOHCKK-OIISXLGYSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091524 1225217448 /nfs/dbraw/zinc/21/74/48/1225217448.db2.gz PWSHPUYUYOHCKK-OIISXLGYSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091524 1225217453 /nfs/dbraw/zinc/21/74/53/1225217453.db2.gz PWSHPUYUYOHCKK-OIISXLGYSA-N 2 2 368.522 0.325 20 0 FCADLP COCC[NH2+]Cc1ccn(Cc2cn(Cc3cc[nH+]c(N(C)C)c3)nn2)n1 ZINC000881365931 1210585931 /nfs/dbraw/zinc/58/59/31/1210585931.db2.gz ODXLAXUBSSYISB-UHFFFAOYSA-N 2 2 370.461 0.768 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883347006 1210663449 /nfs/dbraw/zinc/66/34/49/1210663449.db2.gz KHBLYPSLWYBIEZ-SJORKVTESA-N 2 2 360.506 0.938 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000883645991 1210678920 /nfs/dbraw/zinc/67/89/20/1210678920.db2.gz CZZGMSHXDOLVPF-OAHLLOKOSA-N 2 2 360.462 0.034 20 0 FCADLP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000884252676 1210726780 /nfs/dbraw/zinc/72/67/80/1210726780.db2.gz PVRPASVEKMGLEM-NVXWUHKLSA-N 2 2 370.453 0.725 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884307209 1210729261 /nfs/dbraw/zinc/72/92/61/1210729261.db2.gz BSRMTCWCYXDRKJ-QGZVFWFLSA-N 2 2 372.469 0.973 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884307209 1210729265 /nfs/dbraw/zinc/72/92/65/1210729265.db2.gz BSRMTCWCYXDRKJ-QGZVFWFLSA-N 2 2 372.469 0.973 20 0 FCADLP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000884311598 1210729434 /nfs/dbraw/zinc/72/94/34/1210729434.db2.gz GZYPBPDTFKDJHJ-JKSUJKDBSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884311598 1210729437 /nfs/dbraw/zinc/72/94/37/1210729437.db2.gz GZYPBPDTFKDJHJ-JKSUJKDBSA-N 2 2 374.489 0.526 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884528785 1210745846 /nfs/dbraw/zinc/74/58/46/1210745846.db2.gz YJVVXSHJPXBDRD-IBGZPJMESA-N 2 2 355.442 0.943 20 0 FCADLP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000884572279 1210753994 /nfs/dbraw/zinc/75/39/94/1210753994.db2.gz KOFRIDFJGKUAMT-HNNXBMFYSA-N 2 2 353.426 0.276 20 0 FCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000884639239 1210769747 /nfs/dbraw/zinc/76/97/47/1210769747.db2.gz SQYNRUHGEZYDFV-WMLDXEAASA-N 2 2 371.441 0.570 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884644345 1210771178 /nfs/dbraw/zinc/77/11/78/1210771178.db2.gz LZKJYTNAPNYHPW-OLZOCXBDSA-N 2 2 367.400 0.138 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674519 1210777031 /nfs/dbraw/zinc/77/70/31/1210777031.db2.gz XYFGORGHJSZDFP-ZWKOTPCHSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674519 1210777045 /nfs/dbraw/zinc/77/70/45/1210777045.db2.gz XYFGORGHJSZDFP-ZWKOTPCHSA-N 2 2 374.485 0.180 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884681834 1210779197 /nfs/dbraw/zinc/77/91/97/1210779197.db2.gz HMBHNNCTBQOCQM-WBVHZDCISA-N 2 2 355.442 0.856 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC000884694040 1210782058 /nfs/dbraw/zinc/78/20/58/1210782058.db2.gz YSUQRHADPKLDHL-KRWDZBQOSA-N 2 2 362.449 0.757 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000884698806 1210784094 /nfs/dbraw/zinc/78/40/94/1210784094.db2.gz SPZHIENQZPCCBG-DOTOQJQBSA-N 2 2 362.474 0.023 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000884698806 1210784098 /nfs/dbraw/zinc/78/40/98/1210784098.db2.gz SPZHIENQZPCCBG-DOTOQJQBSA-N 2 2 362.474 0.023 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884717467 1210787611 /nfs/dbraw/zinc/78/76/11/1210787611.db2.gz BSHSRUXWBOOPGL-OIISXLGYSA-N 2 2 355.442 0.855 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000884853397 1210801424 /nfs/dbraw/zinc/80/14/24/1210801424.db2.gz MWNVQAUEALHUFU-OAHLLOKOSA-N 2 2 367.457 0.865 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000884853397 1210801426 /nfs/dbraw/zinc/80/14/26/1210801426.db2.gz MWNVQAUEALHUFU-OAHLLOKOSA-N 2 2 367.457 0.865 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000884966679 1210805777 /nfs/dbraw/zinc/80/57/77/1210805777.db2.gz PXIVPDPZKJSQPW-HNNXBMFYSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1cc[nH+]c1 ZINC000885010728 1210807684 /nfs/dbraw/zinc/80/76/84/1210807684.db2.gz SDJQHTVZDCMWGF-ZOFXXKQRSA-N 2 2 359.474 0.939 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885010210 1210807772 /nfs/dbraw/zinc/80/77/72/1210807772.db2.gz KUKYGYOHFJHDFF-JONQDZQNSA-N 2 2 359.474 0.773 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000885020426 1210809399 /nfs/dbraw/zinc/80/93/99/1210809399.db2.gz JRBLDCYEAODHFS-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000885020426 1210809400 /nfs/dbraw/zinc/80/94/00/1210809400.db2.gz JRBLDCYEAODHFS-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)cc1 ZINC000885021062 1210809585 /nfs/dbraw/zinc/80/95/85/1210809585.db2.gz TYQLALBWJAGWOP-DOTOQJQBSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)cc1 ZINC000885021062 1210809587 /nfs/dbraw/zinc/80/95/87/1210809587.db2.gz TYQLALBWJAGWOP-DOTOQJQBSA-N 2 2 362.474 0.118 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000885022643 1210809739 /nfs/dbraw/zinc/80/97/39/1210809739.db2.gz QXRRSNDPUDPVDT-PXNSSMCTSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000885022643 1210809741 /nfs/dbraw/zinc/80/97/41/1210809741.db2.gz QXRRSNDPUDPVDT-PXNSSMCTSA-N 2 2 356.470 0.891 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000885227004 1210815826 /nfs/dbraw/zinc/81/58/26/1210815826.db2.gz DOUKHAPVBZPHQS-SJORKVTESA-N 2 2 355.442 0.951 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000885226864 1210815857 /nfs/dbraw/zinc/81/58/57/1210815857.db2.gz CJYDTQRUGKPUGI-KRWDZBQOSA-N 2 2 355.442 0.938 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000885227000 1210815941 /nfs/dbraw/zinc/81/59/41/1210815941.db2.gz DOUKHAPVBZPHQS-IRXDYDNUSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227487 1210816008 /nfs/dbraw/zinc/81/60/08/1210816008.db2.gz IXWVJQHAAQXQGL-APWZRJJASA-N 2 2 355.442 0.938 20 0 FCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C2 ZINC000885227710 1210816489 /nfs/dbraw/zinc/81/64/89/1210816489.db2.gz LPBBPDHQVYSDAE-ABSDTBQOSA-N 2 2 367.453 0.809 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1)OC ZINC001691712529 1210840472 /nfs/dbraw/zinc/84/04/72/1210840472.db2.gz PSODOBHNEZLUHV-YESZJQIVSA-N 2 2 360.462 0.626 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000887080576 1210846119 /nfs/dbraw/zinc/84/61/19/1210846119.db2.gz ANYCUAOLSJYONZ-HNAYVOBHSA-N 2 2 359.474 0.728 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730522 1210852200 /nfs/dbraw/zinc/85/22/00/1210852200.db2.gz GFKDWMISOGZCFC-HZSPNIEDSA-N 2 2 353.467 0.023 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730522 1210852201 /nfs/dbraw/zinc/85/22/01/1210852201.db2.gz GFKDWMISOGZCFC-HZSPNIEDSA-N 2 2 353.467 0.023 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730522 1210852203 /nfs/dbraw/zinc/85/22/03/1210852203.db2.gz GFKDWMISOGZCFC-HZSPNIEDSA-N 2 2 353.467 0.023 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)[C@@H]1C ZINC001691730522 1210852205 /nfs/dbraw/zinc/85/22/05/1210852205.db2.gz GFKDWMISOGZCFC-HZSPNIEDSA-N 2 2 353.467 0.023 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889768941 1210948714 /nfs/dbraw/zinc/94/87/14/1210948714.db2.gz QGPCWRMCHIMBGT-ZCNNSNEGSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889768941 1210948715 /nfs/dbraw/zinc/94/87/15/1210948715.db2.gz QGPCWRMCHIMBGT-ZCNNSNEGSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000889768941 1210948717 /nfs/dbraw/zinc/94/87/17/1210948717.db2.gz QGPCWRMCHIMBGT-ZCNNSNEGSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000889768941 1210948718 /nfs/dbraw/zinc/94/87/18/1210948718.db2.gz QGPCWRMCHIMBGT-ZCNNSNEGSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889768938 1210949004 /nfs/dbraw/zinc/94/90/04/1210949004.db2.gz QGPCWRMCHIMBGT-AABGKKOBSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889768938 1210949013 /nfs/dbraw/zinc/94/90/13/1210949013.db2.gz QGPCWRMCHIMBGT-AABGKKOBSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000889768938 1210949017 /nfs/dbraw/zinc/94/90/17/1210949017.db2.gz QGPCWRMCHIMBGT-AABGKKOBSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000889768938 1210949022 /nfs/dbraw/zinc/94/90/22/1210949022.db2.gz QGPCWRMCHIMBGT-AABGKKOBSA-N 2 2 373.497 0.945 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274410004 1211046541 /nfs/dbraw/zinc/04/65/41/1211046541.db2.gz YXPGJQYCYPKFNY-KURKYZTESA-N 2 2 361.490 0.669 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274410004 1211046543 /nfs/dbraw/zinc/04/65/43/1211046543.db2.gz YXPGJQYCYPKFNY-KURKYZTESA-N 2 2 361.490 0.669 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274421598 1211051065 /nfs/dbraw/zinc/05/10/65/1211051065.db2.gz NZPPMBXSYUCWAN-HDICACEKSA-N 2 2 361.490 0.671 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274421598 1211051067 /nfs/dbraw/zinc/05/10/67/1211051067.db2.gz NZPPMBXSYUCWAN-HDICACEKSA-N 2 2 361.490 0.671 20 0 FCADLP C[C@@H](F)C(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001274505388 1211070391 /nfs/dbraw/zinc/07/03/91/1211070391.db2.gz QXFCDPGXGVHXRX-BPLDGKMQSA-N 2 2 365.453 0.531 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)CC1 ZINC001274515414 1211071593 /nfs/dbraw/zinc/07/15/93/1211071593.db2.gz PPVKXHHRPLRIJY-UHFFFAOYSA-N 2 2 360.506 0.472 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2CC3(C2)CC[N@@H+](Cc2cn[nH]c2)C3)CC1 ZINC001274515414 1211071597 /nfs/dbraw/zinc/07/15/97/1211071597.db2.gz PPVKXHHRPLRIJY-UHFFFAOYSA-N 2 2 360.506 0.472 20 0 FCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1C[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001274709002 1211105813 /nfs/dbraw/zinc/10/58/13/1211105813.db2.gz QXZHRFVKHHTMIF-HRCADAONSA-N 2 2 364.490 0.843 20 0 FCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1C[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001274709002 1211105815 /nfs/dbraw/zinc/10/58/15/1211105815.db2.gz QXZHRFVKHHTMIF-HRCADAONSA-N 2 2 364.490 0.843 20 0 FCADLP COCCOC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274908012 1211141712 /nfs/dbraw/zinc/14/17/12/1211141712.db2.gz IQGHBLGCVPQIGC-LNLFQRSKSA-N 2 2 369.506 0.377 20 0 FCADLP COCCOC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274908012 1211141714 /nfs/dbraw/zinc/14/17/14/1211141714.db2.gz IQGHBLGCVPQIGC-LNLFQRSKSA-N 2 2 369.506 0.377 20 0 FCADLP COCCOC[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274908012 1211141716 /nfs/dbraw/zinc/14/17/16/1211141716.db2.gz IQGHBLGCVPQIGC-LNLFQRSKSA-N 2 2 369.506 0.377 20 0 FCADLP COCCOC[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274908012 1211141718 /nfs/dbraw/zinc/14/17/18/1211141718.db2.gz IQGHBLGCVPQIGC-LNLFQRSKSA-N 2 2 369.506 0.377 20 0 FCADLP NC(=O)C1CC[NH+](C2CCN(C(=O)CCc3ccc(N)[nH+]c3)CC2)CC1 ZINC001275119739 1211176556 /nfs/dbraw/zinc/17/65/56/1211176556.db2.gz WEMJCTGUYNIEII-UHFFFAOYSA-N 2 2 359.474 0.785 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CCOCC1)C2 ZINC001275141699 1211178673 /nfs/dbraw/zinc/17/86/73/1211178673.db2.gz HXIIXPSKDDVNET-IBGZPJMESA-N 2 2 362.474 0.898 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CCOCC1)C2 ZINC001275141699 1211178676 /nfs/dbraw/zinc/17/86/76/1211178676.db2.gz HXIIXPSKDDVNET-IBGZPJMESA-N 2 2 362.474 0.898 20 0 FCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149279 1211181393 /nfs/dbraw/zinc/18/13/93/1211181393.db2.gz WCMQIBPZHCMLMP-KSSFIOAISA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149279 1211181396 /nfs/dbraw/zinc/18/13/96/1211181396.db2.gz WCMQIBPZHCMLMP-KSSFIOAISA-N 2 2 359.430 0.003 20 0 FCADLP CCC1(C[N@@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)COC1 ZINC001275151723 1211182405 /nfs/dbraw/zinc/18/24/05/1211182405.db2.gz BHJOXWXFZIPZTJ-LJQANCHMSA-N 2 2 362.474 0.861 20 0 FCADLP CCC1(C[N@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)COC1 ZINC001275151723 1211182406 /nfs/dbraw/zinc/18/24/06/1211182406.db2.gz BHJOXWXFZIPZTJ-LJQANCHMSA-N 2 2 362.474 0.861 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392936 1211230089 /nfs/dbraw/zinc/23/00/89/1211230089.db2.gz WNLPFTOHMKDYHL-SFHVURJKSA-N 2 2 364.446 0.690 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275392936 1211230091 /nfs/dbraw/zinc/23/00/91/1211230091.db2.gz WNLPFTOHMKDYHL-SFHVURJKSA-N 2 2 364.446 0.690 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)OCC1=O ZINC001275421772 1211233704 /nfs/dbraw/zinc/23/37/04/1211233704.db2.gz OJSVCLPRRWBBAB-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)OCC1=O ZINC001275421772 1211233707 /nfs/dbraw/zinc/23/37/07/1211233707.db2.gz OJSVCLPRRWBBAB-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP CC(=O)Nc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)cc1 ZINC001275596142 1211261786 /nfs/dbraw/zinc/26/17/86/1211261786.db2.gz CEBIBTGHFFFJEZ-UHFFFAOYSA-N 2 2 360.458 0.620 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCCOC1)C2 ZINC001275743775 1211280095 /nfs/dbraw/zinc/28/00/95/1211280095.db2.gz XLKVFZOKKFJEAK-VQIMIIECSA-N 2 2 362.474 0.898 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1CCCOC1)C2 ZINC001275743775 1211280098 /nfs/dbraw/zinc/28/00/98/1211280098.db2.gz XLKVFZOKKFJEAK-VQIMIIECSA-N 2 2 362.474 0.898 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CC3CC[NH+](CC)CC3)C[C@@]2(F)C1=O ZINC001275879394 1211304476 /nfs/dbraw/zinc/30/44/76/1211304476.db2.gz OHBJQEFXRHVKKI-JCGIZDLHSA-N 2 2 372.460 0.557 20 0 FCADLP CC[C@@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CC3CC[NH+](CC)CC3)C[C@@]2(F)C1=O ZINC001275879394 1211304479 /nfs/dbraw/zinc/30/44/79/1211304479.db2.gz OHBJQEFXRHVKKI-JCGIZDLHSA-N 2 2 372.460 0.557 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000370830466 1211332861 /nfs/dbraw/zinc/33/28/61/1211332861.db2.gz NJZNKKJDUSQQFV-INIZCTEOSA-N 2 2 371.489 0.982 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000370830466 1211332862 /nfs/dbraw/zinc/33/28/62/1211332862.db2.gz NJZNKKJDUSQQFV-INIZCTEOSA-N 2 2 371.489 0.982 20 0 FCADLP CN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832281 1211333409 /nfs/dbraw/zinc/33/34/09/1211333409.db2.gz XTHYVFDEFAQRFR-MRXNPFEDSA-N 2 2 372.473 0.123 20 0 FCADLP CN(C(=O)Cn1nc2ccccn2c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832281 1211333412 /nfs/dbraw/zinc/33/34/12/1211333412.db2.gz XTHYVFDEFAQRFR-MRXNPFEDSA-N 2 2 372.473 0.123 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)n1 ZINC001095431233 1211334885 /nfs/dbraw/zinc/33/48/85/1211334885.db2.gz AGLREWHKBPSQSH-PVAVHDDUSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)n1 ZINC001095431233 1211334889 /nfs/dbraw/zinc/33/48/89/1211334889.db2.gz AGLREWHKBPSQSH-PVAVHDDUSA-N 2 2 374.489 0.058 20 0 FCADLP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001095448106 1211348511 /nfs/dbraw/zinc/34/85/11/1211348511.db2.gz ZFMCVJOFTXLYBE-QZWWFDLISA-N 2 2 371.485 0.714 20 0 FCADLP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001095448106 1211348514 /nfs/dbraw/zinc/34/85/14/1211348514.db2.gz ZFMCVJOFTXLYBE-QZWWFDLISA-N 2 2 371.485 0.714 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc3c(cn2)OCCO3)C1=O ZINC001276233284 1211385658 /nfs/dbraw/zinc/38/56/58/1211385658.db2.gz IYLHUADLHAMPLU-IBGZPJMESA-N 2 2 360.458 0.981 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2cc3c(cn2)OCCO3)C1=O ZINC001276233284 1211385659 /nfs/dbraw/zinc/38/56/59/1211385659.db2.gz IYLHUADLHAMPLU-IBGZPJMESA-N 2 2 360.458 0.981 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246397 1211391124 /nfs/dbraw/zinc/39/11/24/1211391124.db2.gz IFAUMQMIRJLDIA-MAUKXSAKSA-N 2 2 364.446 0.243 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246397 1211391125 /nfs/dbraw/zinc/39/11/25/1211391125.db2.gz IFAUMQMIRJLDIA-MAUKXSAKSA-N 2 2 364.446 0.243 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946978962 1211464376 /nfs/dbraw/zinc/46/43/76/1211464376.db2.gz DNZWXFOQVVFACC-OWCLPIDISA-N 2 2 363.462 0.169 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946978962 1211464379 /nfs/dbraw/zinc/46/43/79/1211464379.db2.gz DNZWXFOQVVFACC-OWCLPIDISA-N 2 2 363.462 0.169 20 0 FCADLP C[NH+](C)C[C@H]1NC(=O)N([C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000924614386 1211475190 /nfs/dbraw/zinc/47/51/90/1211475190.db2.gz ZIJKTHCIZFTIMA-IAGOWNOFSA-N 2 2 360.458 0.412 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634466 1211475689 /nfs/dbraw/zinc/47/56/89/1211475689.db2.gz NZLWSBPEHCJKBL-DLBZAZTESA-N 3 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634466 1211475690 /nfs/dbraw/zinc/47/56/90/1211475690.db2.gz NZLWSBPEHCJKBL-DLBZAZTESA-N 3 2 363.506 0.561 20 0 FCADLP C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693638 1211477403 /nfs/dbraw/zinc/47/74/03/1211477403.db2.gz FHTNUEGRLYZOJH-OIISXLGYSA-N 2 2 360.458 0.758 20 0 FCADLP C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924693638 1211477406 /nfs/dbraw/zinc/47/74/06/1211477406.db2.gz FHTNUEGRLYZOJH-OIISXLGYSA-N 2 2 360.458 0.758 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925043672 1211489571 /nfs/dbraw/zinc/48/95/71/1211489571.db2.gz NYZLBNPRXHLQRQ-DLBZAZTESA-N 2 2 360.458 0.678 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000925043672 1211489573 /nfs/dbraw/zinc/48/95/73/1211489573.db2.gz NYZLBNPRXHLQRQ-DLBZAZTESA-N 2 2 360.458 0.678 20 0 FCADLP [NH3+]CCC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000925568431 1211502415 /nfs/dbraw/zinc/50/24/15/1211502415.db2.gz ARKXKKQCQAGYKA-RBUKOAKNSA-N 3 2 360.502 0.989 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000925768333 1211508065 /nfs/dbraw/zinc/50/80/65/1211508065.db2.gz JOUHUBZNSWRZHB-LWYYNNOASA-N 3 2 366.550 0.530 20 0 FCADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3C(=O)NCC34CCOCC4)[nH+]c2)C1 ZINC000925938501 1211510876 /nfs/dbraw/zinc/51/08/76/1211510876.db2.gz ZHUYCYWOLLLGEY-WBVHZDCISA-N 2 2 359.474 0.929 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926338106 1211534657 /nfs/dbraw/zinc/53/46/57/1211534657.db2.gz SHYRDXVKOXHFRM-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926338106 1211534665 /nfs/dbraw/zinc/53/46/65/1211534665.db2.gz SHYRDXVKOXHFRM-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000926389274 1211544046 /nfs/dbraw/zinc/54/40/46/1211544046.db2.gz PBVSXBZQORDUCI-ROUUACIJSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000926389274 1211544048 /nfs/dbraw/zinc/54/40/48/1211544048.db2.gz PBVSXBZQORDUCI-ROUUACIJSA-N 2 2 358.486 0.569 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000928642964 1211607809 /nfs/dbraw/zinc/60/78/09/1211607809.db2.gz XLFPKELMKMQLCX-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000928642964 1211607814 /nfs/dbraw/zinc/60/78/14/1211607814.db2.gz XLFPKELMKMQLCX-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000929157852 1211619530 /nfs/dbraw/zinc/61/95/30/1211619530.db2.gz VYVUYKTXMCHNNJ-WMZOPIPTSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000929157852 1211619531 /nfs/dbraw/zinc/61/95/31/1211619531.db2.gz VYVUYKTXMCHNNJ-WMZOPIPTSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[NH+]3C)c2)CCO1 ZINC000929730282 1211657878 /nfs/dbraw/zinc/65/78/78/1211657878.db2.gz AHROZXYEYVRCEG-YJBOKZPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[NH+]3C)c2)CCO1 ZINC000929730282 1211657879 /nfs/dbraw/zinc/65/78/79/1211657879.db2.gz AHROZXYEYVRCEG-YJBOKZPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)c2)CCO1 ZINC000929730282 1211657881 /nfs/dbraw/zinc/65/78/81/1211657881.db2.gz AHROZXYEYVRCEG-YJBOKZPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)c2)CCO1 ZINC000929730282 1211657882 /nfs/dbraw/zinc/65/78/82/1211657882.db2.gz AHROZXYEYVRCEG-YJBOKZPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[N@H+](C[C@@H](O)C[C@@]1(O)CCOC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798839 1211661295 /nfs/dbraw/zinc/66/12/95/1211661295.db2.gz QMHVGNQVRPWQKR-PMACEKPBSA-N 2 2 363.502 0.923 20 0 FCADLP C[N@@H+](C[C@@H](O)C[C@@]1(O)CCOC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929798839 1211661297 /nfs/dbraw/zinc/66/12/97/1211661297.db2.gz QMHVGNQVRPWQKR-PMACEKPBSA-N 2 2 363.502 0.923 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000929863601 1211666035 /nfs/dbraw/zinc/66/60/35/1211666035.db2.gz NLCPSNRHWJVISA-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000929863601 1211666037 /nfs/dbraw/zinc/66/60/37/1211666037.db2.gz NLCPSNRHWJVISA-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000930171798 1211693983 /nfs/dbraw/zinc/69/39/83/1211693983.db2.gz VQBICYVXNMGVDN-RDJZCZTQSA-N 2 2 373.501 0.414 20 0 FCADLP C[C@@H](Cc1cccnc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000930171798 1211693984 /nfs/dbraw/zinc/69/39/84/1211693984.db2.gz VQBICYVXNMGVDN-RDJZCZTQSA-N 2 2 373.501 0.414 20 0 FCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000931433881 1211756486 /nfs/dbraw/zinc/75/64/86/1211756486.db2.gz JAZROGUVNMTMTK-OLZOCXBDSA-N 2 2 366.412 0.903 20 0 FCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000931433881 1211756492 /nfs/dbraw/zinc/75/64/92/1211756492.db2.gz JAZROGUVNMTMTK-OLZOCXBDSA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000931433881 1211756499 /nfs/dbraw/zinc/75/64/99/1211756499.db2.gz JAZROGUVNMTMTK-OLZOCXBDSA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000931433881 1211756505 /nfs/dbraw/zinc/75/65/05/1211756505.db2.gz JAZROGUVNMTMTK-OLZOCXBDSA-N 2 2 366.412 0.903 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000932819872 1211823583 /nfs/dbraw/zinc/82/35/83/1211823583.db2.gz YMCSEICMUAELHL-UHFFFAOYSA-N 2 2 358.446 0.972 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH+]1 ZINC000932815058 1211823685 /nfs/dbraw/zinc/82/36/85/1211823685.db2.gz ZXSSMWDJYHHROX-MRXNPFEDSA-N 2 2 369.425 0.993 20 0 FCADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)ncn1 ZINC001111152472 1211902142 /nfs/dbraw/zinc/90/21/42/1211902142.db2.gz XNKLGWCCCQLGDB-KURKYZTESA-N 2 2 359.474 0.729 20 0 FCADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)ncn1 ZINC001111152472 1211902146 /nfs/dbraw/zinc/90/21/46/1211902146.db2.gz XNKLGWCCCQLGDB-KURKYZTESA-N 2 2 359.474 0.729 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001111169414 1211910155 /nfs/dbraw/zinc/91/01/55/1211910155.db2.gz SESVAJCEBYRWJC-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111171554 1211910693 /nfs/dbraw/zinc/91/06/93/1211910693.db2.gz JFNUYXPKHDRBDH-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001111171554 1211910698 /nfs/dbraw/zinc/91/06/98/1211910698.db2.gz JFNUYXPKHDRBDH-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001111228716 1211934845 /nfs/dbraw/zinc/93/48/45/1211934845.db2.gz OFXWTOUNTACTPS-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001111228716 1211934850 /nfs/dbraw/zinc/93/48/50/1211934850.db2.gz OFXWTOUNTACTPS-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001111228716 1211934856 /nfs/dbraw/zinc/93/48/56/1211934856.db2.gz OFXWTOUNTACTPS-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001111228716 1211934862 /nfs/dbraw/zinc/93/48/62/1211934862.db2.gz OFXWTOUNTACTPS-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2cn(C)nn2)O1 ZINC000968913646 1212177163 /nfs/dbraw/zinc/17/71/63/1212177163.db2.gz IPCPLYQIFISIRO-HYVNUMGLSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2cn(C)nn2)O1 ZINC000968913646 1212177166 /nfs/dbraw/zinc/17/71/66/1212177166.db2.gz IPCPLYQIFISIRO-HYVNUMGLSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2cn(C)nn2)O1 ZINC000968913646 1212177172 /nfs/dbraw/zinc/17/71/72/1212177172.db2.gz IPCPLYQIFISIRO-HYVNUMGLSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2cn(C)nn2)O1 ZINC000968913646 1212177178 /nfs/dbraw/zinc/17/71/78/1212177178.db2.gz IPCPLYQIFISIRO-HYVNUMGLSA-N 2 2 364.494 0.395 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276070 1212191006 /nfs/dbraw/zinc/19/10/06/1212191006.db2.gz BGXZWYVICNASBT-SPUZQDLCSA-N 2 2 364.490 0.718 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276070 1212191011 /nfs/dbraw/zinc/19/10/11/1212191011.db2.gz BGXZWYVICNASBT-SPUZQDLCSA-N 2 2 364.490 0.718 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281344 1212232958 /nfs/dbraw/zinc/23/29/58/1212232958.db2.gz OGDBQGHGYRNRHK-VQHPVUNQSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281344 1212232962 /nfs/dbraw/zinc/23/29/62/1212232962.db2.gz OGDBQGHGYRNRHK-VQHPVUNQSA-N 2 2 362.518 0.964 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948785619 1212240236 /nfs/dbraw/zinc/24/02/36/1212240236.db2.gz PDRMDNJIRIOKBX-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948785619 1212240241 /nfs/dbraw/zinc/24/02/41/1212240241.db2.gz PDRMDNJIRIOKBX-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)O1 ZINC000969071951 1212254965 /nfs/dbraw/zinc/25/49/65/1212254965.db2.gz ORDKNLULUXCSQZ-IIAWOOMASA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cn(C(C)(C)C)nn3)C2)O1 ZINC000969071951 1212254968 /nfs/dbraw/zinc/25/49/68/1212254968.db2.gz ORDKNLULUXCSQZ-IIAWOOMASA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2c3ccccc3CC[NH+]2CCCO)O1 ZINC000948929758 1212262550 /nfs/dbraw/zinc/26/25/50/1212262550.db2.gz SNQVFRDJTSQGKX-ATZDWAIDSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2c3ccccc3CC[NH+]2CCCO)O1 ZINC000948929758 1212262552 /nfs/dbraw/zinc/26/25/52/1212262552.db2.gz SNQVFRDJTSQGKX-ATZDWAIDSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2c3ccccc3CC[N@H+]2CCCO)O1 ZINC000948929758 1212262554 /nfs/dbraw/zinc/26/25/54/1212262554.db2.gz SNQVFRDJTSQGKX-ATZDWAIDSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2c3ccccc3CC[N@@H+]2CCCO)O1 ZINC000948929758 1212262556 /nfs/dbraw/zinc/26/25/56/1212262556.db2.gz SNQVFRDJTSQGKX-ATZDWAIDSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC000949195902 1212320319 /nfs/dbraw/zinc/32/03/19/1212320319.db2.gz OQZWUSDLWMHWGD-NVXWUHKLSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC000949195902 1212320324 /nfs/dbraw/zinc/32/03/24/1212320324.db2.gz OQZWUSDLWMHWGD-NVXWUHKLSA-N 2 2 361.490 0.968 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC000949318925 1212354080 /nfs/dbraw/zinc/35/40/80/1212354080.db2.gz CUSNMPKQKJYOSO-SRCQZFHVSA-N 2 2 359.474 0.566 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370187 1212364496 /nfs/dbraw/zinc/36/44/96/1212364496.db2.gz MYEBMVXZJJWTDC-OAGGEKHMSA-N 2 2 366.506 0.284 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370187 1212364500 /nfs/dbraw/zinc/36/45/00/1212364500.db2.gz MYEBMVXZJJWTDC-OAGGEKHMSA-N 2 2 366.506 0.284 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000949370187 1212364506 /nfs/dbraw/zinc/36/45/06/1212364506.db2.gz MYEBMVXZJJWTDC-OAGGEKHMSA-N 2 2 366.506 0.284 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000949370187 1212364510 /nfs/dbraw/zinc/36/45/10/1212364510.db2.gz MYEBMVXZJJWTDC-OAGGEKHMSA-N 2 2 366.506 0.284 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NCC ZINC001111309824 1212536273 /nfs/dbraw/zinc/53/62/73/1212536273.db2.gz YYRHWPNDKAPFAT-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NCC ZINC001111309824 1212536276 /nfs/dbraw/zinc/53/62/76/1212536276.db2.gz YYRHWPNDKAPFAT-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NCC ZINC001111309824 1212536282 /nfs/dbraw/zinc/53/62/82/1212536282.db2.gz YYRHWPNDKAPFAT-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NCC ZINC001111309824 1212536284 /nfs/dbraw/zinc/53/62/84/1212536284.db2.gz YYRHWPNDKAPFAT-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007694446 1212555451 /nfs/dbraw/zinc/55/54/51/1212555451.db2.gz BMBPECOAPUZKJZ-KXBFYZLASA-N 2 2 357.458 0.476 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001111312688 1212555959 /nfs/dbraw/zinc/55/59/59/1212555959.db2.gz SRHNYWGPRUWQIP-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCOC1 ZINC001111312688 1212555962 /nfs/dbraw/zinc/55/59/62/1212555962.db2.gz SRHNYWGPRUWQIP-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111312688 1212555964 /nfs/dbraw/zinc/55/59/64/1212555964.db2.gz SRHNYWGPRUWQIP-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111312688 1212555967 /nfs/dbraw/zinc/55/59/67/1212555967.db2.gz SRHNYWGPRUWQIP-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001007828568 1212586173 /nfs/dbraw/zinc/58/61/73/1212586173.db2.gz PNGSZOOHTOJFOO-YJBOKZPZSA-N 2 2 356.430 0.586 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001007838881 1212588257 /nfs/dbraw/zinc/58/82/57/1212588257.db2.gz ANJDTTQSDAYWSP-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001007838881 1212588262 /nfs/dbraw/zinc/58/82/62/1212588262.db2.gz ANJDTTQSDAYWSP-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001007853343 1212592249 /nfs/dbraw/zinc/59/22/49/1212592249.db2.gz UYHRGGVJUSIKMJ-YWZLYKJASA-N 2 2 371.485 0.854 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001007946853 1212604917 /nfs/dbraw/zinc/60/49/17/1212604917.db2.gz RAMUATADZPMCBS-YWZLYKJASA-N 2 2 371.485 0.854 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001008495266 1212708790 /nfs/dbraw/zinc/70/87/90/1212708790.db2.gz BGGXXTOPUSKSLU-KNBMTAEXSA-N 2 2 371.485 0.791 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001008497733 1212709331 /nfs/dbraw/zinc/70/93/31/1212709331.db2.gz OVYVMTBZDSAKKG-VCBZYWHSSA-N 2 2 359.474 0.934 20 0 FCADLP 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/nfs/dbraw/zinc/07/64/58/1214076458.db2.gz PQJWCTFOUDQCCN-BFYDXBDKSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cn(C)nn3)C2)O1 ZINC001017153451 1214076468 /nfs/dbraw/zinc/07/64/68/1214076468.db2.gz PQJWCTFOUDQCCN-BFYDXBDKSA-N 2 2 364.494 0.205 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001017465081 1214098428 /nfs/dbraw/zinc/09/84/28/1214098428.db2.gz QQXNVYYISMZNTN-ARFHVFGLSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001017465081 1214098438 /nfs/dbraw/zinc/09/84/38/1214098438.db2.gz QQXNVYYISMZNTN-ARFHVFGLSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001017465081 1214098445 /nfs/dbraw/zinc/09/84/45/1214098445.db2.gz QQXNVYYISMZNTN-ARFHVFGLSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001017465081 1214098455 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CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000968089540 1215282486 /nfs/dbraw/zinc/28/24/86/1215282486.db2.gz MHOKUFMLACEQQI-HZPDHXFCSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000968089540 1215282490 /nfs/dbraw/zinc/28/24/90/1215282490.db2.gz MHOKUFMLACEQQI-HZPDHXFCSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968090699 1215283496 /nfs/dbraw/zinc/28/34/96/1215283496.db2.gz FJWQZOXKIOPHBV-BRWVUGGUSA-N 2 2 371.485 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968090699 1215283499 /nfs/dbraw/zinc/28/34/99/1215283499.db2.gz FJWQZOXKIOPHBV-BRWVUGGUSA-N 2 2 371.485 0.914 20 0 FCADLP CCN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968165062 1215292561 /nfs/dbraw/zinc/29/25/61/1215292561.db2.gz GQUZCNYRNUGUCN-HUUCEWRRSA-N 2 2 357.458 0.668 20 0 FCADLP CCN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968165062 1215292565 /nfs/dbraw/zinc/29/25/65/1215292565.db2.gz GQUZCNYRNUGUCN-HUUCEWRRSA-N 2 2 357.458 0.668 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276827150 1225593468 /nfs/dbraw/zinc/59/34/68/1225593468.db2.gz CQQKUUBDGLFSTQ-YJBOKZPZSA-N 2 2 364.446 0.122 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276827150 1225593471 /nfs/dbraw/zinc/59/34/71/1225593471.db2.gz CQQKUUBDGLFSTQ-YJBOKZPZSA-N 2 2 364.446 0.122 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001222089214 1225598066 /nfs/dbraw/zinc/59/80/66/1225598066.db2.gz DTXQOSRPGYEPKJ-IAGOWNOFSA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001222089214 1225598068 /nfs/dbraw/zinc/59/80/68/1225598068.db2.gz DTXQOSRPGYEPKJ-IAGOWNOFSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489550 1225628240 /nfs/dbraw/zinc/62/82/40/1225628240.db2.gz WJLQHODHKPXLPJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489550 1225628242 /nfs/dbraw/zinc/62/82/42/1225628242.db2.gz WJLQHODHKPXLPJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489550 1225628244 /nfs/dbraw/zinc/62/82/44/1225628244.db2.gz WJLQHODHKPXLPJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489550 1225628247 /nfs/dbraw/zinc/62/82/47/1225628247.db2.gz WJLQHODHKPXLPJ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)[C@@H](c2ccccc2)C1 ZINC001000359533 1216041808 /nfs/dbraw/zinc/04/18/08/1216041808.db2.gz SNZRNJQBCWZSMT-MSOLQXFVSA-N 2 2 367.453 0.625 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)[C@@H](c2ccccc2)C1 ZINC001000359533 1216041815 /nfs/dbraw/zinc/04/18/15/1216041815.db2.gz SNZRNJQBCWZSMT-MSOLQXFVSA-N 2 2 367.453 0.625 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001000836314 1216118567 /nfs/dbraw/zinc/11/85/67/1216118567.db2.gz HDDZHRYYZYEPJP-RHSMWYFYSA-N 2 2 364.490 0.075 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001000836314 1216118570 /nfs/dbraw/zinc/11/85/70/1216118570.db2.gz HDDZHRYYZYEPJP-RHSMWYFYSA-N 2 2 364.490 0.075 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001000836314 1216118571 /nfs/dbraw/zinc/11/85/71/1216118571.db2.gz HDDZHRYYZYEPJP-RHSMWYFYSA-N 2 2 364.490 0.075 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001000836314 1216118575 /nfs/dbraw/zinc/11/85/75/1216118575.db2.gz HDDZHRYYZYEPJP-RHSMWYFYSA-N 2 2 364.490 0.075 20 0 FCADLP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC1 ZINC001000885901 1216120815 /nfs/dbraw/zinc/12/08/15/1216120815.db2.gz BJMJJHBJKYHWPD-IKGGRYGDSA-N 2 2 359.474 0.932 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276842817 1225657347 /nfs/dbraw/zinc/65/73/47/1225657347.db2.gz LNSHPOZHDBBGMX-SFHVURJKSA-N 2 2 364.446 0.988 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276842817 1225657351 /nfs/dbraw/zinc/65/73/51/1225657351.db2.gz LNSHPOZHDBBGMX-SFHVURJKSA-N 2 2 364.446 0.988 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276842815 1225657739 /nfs/dbraw/zinc/65/77/39/1225657739.db2.gz LNSHPOZHDBBGMX-GOSISDBHSA-N 2 2 364.446 0.988 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276842815 1225657742 /nfs/dbraw/zinc/65/77/42/1225657742.db2.gz LNSHPOZHDBBGMX-GOSISDBHSA-N 2 2 364.446 0.988 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCN(C)C1=O)CC2 ZINC001050669961 1216347484 /nfs/dbraw/zinc/34/74/84/1216347484.db2.gz UQHXTYJRTYYTHO-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP CCCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624658 1216470122 /nfs/dbraw/zinc/47/01/22/1216470122.db2.gz SFKDGDRJAGWPIW-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624658 1216470126 /nfs/dbraw/zinc/47/01/26/1216470126.db2.gz SFKDGDRJAGWPIW-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCn1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490967 1216562407 /nfs/dbraw/zinc/56/24/07/1216562407.db2.gz YALVRZCYUNKPEO-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490967 1216562411 /nfs/dbraw/zinc/56/24/11/1216562411.db2.gz YALVRZCYUNKPEO-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490967 1216562416 /nfs/dbraw/zinc/56/24/16/1216562416.db2.gz YALVRZCYUNKPEO-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1cc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001052490967 1216562421 /nfs/dbraw/zinc/56/24/21/1216562421.db2.gz YALVRZCYUNKPEO-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052584271 1216574156 /nfs/dbraw/zinc/57/41/56/1216574156.db2.gz QGIIZISRTCCAAD-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052584271 1216574159 /nfs/dbraw/zinc/57/41/59/1216574159.db2.gz QGIIZISRTCCAAD-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP Cn1c(=O)cccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001276867980 1225685010 /nfs/dbraw/zinc/68/50/10/1225685010.db2.gz DJNRCATVKHAPHO-IAGOWNOFSA-N 2 2 355.442 0.847 20 0 FCADLP Cn1c(=O)cccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001276867980 1225685013 /nfs/dbraw/zinc/68/50/13/1225685013.db2.gz DJNRCATVKHAPHO-IAGOWNOFSA-N 2 2 355.442 0.847 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCn2cc[nH+]c2)O1 ZINC001067712526 1216695605 /nfs/dbraw/zinc/69/56/05/1216695605.db2.gz WLTPOVAWPGIPKF-HZPDHXFCSA-N 2 2 365.478 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCn2cc[nH+]c2)O1 ZINC001067712526 1216695608 /nfs/dbraw/zinc/69/56/08/1216695608.db2.gz WLTPOVAWPGIPKF-HZPDHXFCSA-N 2 2 365.478 0.299 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCCO)C[C@@H]3n3ccnn3)ccn12 ZINC001069926959 1216848279 /nfs/dbraw/zinc/84/82/79/1216848279.db2.gz BJCHTFAXOGHQRO-CVEARBPZSA-N 2 2 369.429 0.272 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCCO)C[C@@H]3n3ccnn3)ccn12 ZINC001069926959 1216848281 /nfs/dbraw/zinc/84/82/81/1216848281.db2.gz BJCHTFAXOGHQRO-CVEARBPZSA-N 2 2 369.429 0.272 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930602 1216850192 /nfs/dbraw/zinc/85/01/92/1216850192.db2.gz TZWKEEBUWVQMLT-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930602 1216850195 /nfs/dbraw/zinc/85/01/95/1216850195.db2.gz TZWKEEBUWVQMLT-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930602 1216850197 /nfs/dbraw/zinc/85/01/97/1216850197.db2.gz TZWKEEBUWVQMLT-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930602 1216850201 /nfs/dbraw/zinc/85/02/01/1216850201.db2.gz TZWKEEBUWVQMLT-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2n2ccnn2)c[nH+]1 ZINC001069957181 1216867028 /nfs/dbraw/zinc/86/70/28/1216867028.db2.gz SXROSFDOWYATTP-CVEARBPZSA-N 2 2 357.462 0.970 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)c[nH+]1 ZINC001069957181 1216867030 /nfs/dbraw/zinc/86/70/30/1216867030.db2.gz SXROSFDOWYATTP-CVEARBPZSA-N 2 2 357.462 0.970 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001069963854 1216871185 /nfs/dbraw/zinc/87/11/85/1216871185.db2.gz RKMBAAUMWMQHHQ-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001069963854 1216871188 /nfs/dbraw/zinc/87/11/88/1216871188.db2.gz RKMBAAUMWMQHHQ-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976311 1216879580 /nfs/dbraw/zinc/87/95/80/1216879580.db2.gz LNCBQXIXIMOXKR-CVEARBPZSA-N 2 2 352.402 0.534 20 0 FCADLP CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](n2ccnn2)C1 ZINC001069976311 1216879583 /nfs/dbraw/zinc/87/95/83/1216879583.db2.gz LNCBQXIXIMOXKR-CVEARBPZSA-N 2 2 352.402 0.534 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223721057 1225730593 /nfs/dbraw/zinc/73/05/93/1225730593.db2.gz DSSUSYUFJPGPBR-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223721057 1225730596 /nfs/dbraw/zinc/73/05/96/1225730596.db2.gz DSSUSYUFJPGPBR-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CO[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001042835760 1217478649 /nfs/dbraw/zinc/47/86/49/1217478649.db2.gz LFUMGSIGQSHPSN-ARFHVFGLSA-N 2 2 359.474 0.934 20 0 FCADLP CO[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042835760 1217478652 /nfs/dbraw/zinc/47/86/52/1217478652.db2.gz LFUMGSIGQSHPSN-ARFHVFGLSA-N 2 2 359.474 0.934 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)cc(C)[nH+]1 ZINC001043678002 1217703077 /nfs/dbraw/zinc/70/30/77/1217703077.db2.gz LMXXKSWJQVOINS-OWCLPIDISA-N 2 2 359.474 0.858 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)cc(C)[nH+]1 ZINC001043678002 1217703084 /nfs/dbraw/zinc/70/30/84/1217703084.db2.gz LMXXKSWJQVOINS-OWCLPIDISA-N 2 2 359.474 0.858 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)cc(C)[nH+]1 ZINC001043726193 1217719408 /nfs/dbraw/zinc/71/94/08/1217719408.db2.gz CFXNTIZLBNFBET-OWCLPIDISA-N 2 2 359.474 0.715 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)cc(C)[nH+]1 ZINC001043726193 1217719412 /nfs/dbraw/zinc/71/94/12/1217719412.db2.gz CFXNTIZLBNFBET-OWCLPIDISA-N 2 2 359.474 0.715 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043966871 1217784639 /nfs/dbraw/zinc/78/46/39/1217784639.db2.gz WTSCBMWDUQTDGP-XYPHTWIQSA-N 2 2 359.474 0.281 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043966871 1217784643 /nfs/dbraw/zinc/78/46/43/1217784643.db2.gz WTSCBMWDUQTDGP-XYPHTWIQSA-N 2 2 359.474 0.281 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043991803 1217787675 /nfs/dbraw/zinc/78/76/75/1217787675.db2.gz FIYDZBBTTPGUGZ-ZACQAIPSSA-N 2 2 361.490 0.888 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001043991803 1217787680 /nfs/dbraw/zinc/78/76/80/1217787680.db2.gz FIYDZBBTTPGUGZ-ZACQAIPSSA-N 2 2 361.490 0.888 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044059264 1217799513 /nfs/dbraw/zinc/79/95/13/1217799513.db2.gz MYAWYRWUEPVKMJ-WBVHZDCISA-N 2 2 370.457 0.788 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@@H]1O)C2 ZINC001044527447 1217852941 /nfs/dbraw/zinc/85/29/41/1217852941.db2.gz MMGBCZWLXDHKFK-OIISXLGYSA-N 2 2 370.457 0.527 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044794772 1217881348 /nfs/dbraw/zinc/88/13/48/1217881348.db2.gz ATBDXKGIFBBCJS-CABCVRRESA-N 2 2 359.474 0.642 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000900171646 1217965894 /nfs/dbraw/zinc/96/58/94/1217965894.db2.gz OBEHNNPSTWLNIU-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001045850051 1217967305 /nfs/dbraw/zinc/96/73/05/1217967305.db2.gz NEVBQTRVCLCLNM-YYIAUSFCSA-N 2 2 369.473 0.881 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001045850051 1217967310 /nfs/dbraw/zinc/96/73/10/1217967310.db2.gz NEVBQTRVCLCLNM-YYIAUSFCSA-N 2 2 369.473 0.881 20 0 FCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000900312865 1217978912 /nfs/dbraw/zinc/97/89/12/1217978912.db2.gz HJNUUBWOMFVUPA-XLIONFOSSA-N 2 2 374.485 0.397 20 0 FCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000900312865 1217978921 /nfs/dbraw/zinc/97/89/21/1217978921.db2.gz HJNUUBWOMFVUPA-XLIONFOSSA-N 2 2 374.485 0.397 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900686972 1218024312 /nfs/dbraw/zinc/02/43/12/1218024312.db2.gz QIJWLRREBBZCMN-LJQANCHMSA-N 2 2 367.582 0.935 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900686971 1218024505 /nfs/dbraw/zinc/02/45/05/1218024505.db2.gz QIJWLRREBBZCMN-IBGZPJMESA-N 2 2 367.582 0.935 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815370 1218042130 /nfs/dbraw/zinc/04/21/30/1218042130.db2.gz IRGYGQRTDHTTIU-NFBUACBFSA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000900815370 1218042133 /nfs/dbraw/zinc/04/21/33/1218042133.db2.gz IRGYGQRTDHTTIU-NFBUACBFSA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900815370 1218042136 /nfs/dbraw/zinc/04/21/36/1218042136.db2.gz IRGYGQRTDHTTIU-NFBUACBFSA-N 2 2 361.486 0.847 20 0 FCADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900815370 1218042138 /nfs/dbraw/zinc/04/21/38/1218042138.db2.gz IRGYGQRTDHTTIU-NFBUACBFSA-N 2 2 361.486 0.847 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001047386006 1218138225 /nfs/dbraw/zinc/13/82/25/1218138225.db2.gz ITZIPZLIPOXFBX-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1cccc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001047386006 1218138228 /nfs/dbraw/zinc/13/82/28/1218138228.db2.gz ITZIPZLIPOXFBX-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1cccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001047386006 1218138230 /nfs/dbraw/zinc/13/82/30/1218138230.db2.gz ITZIPZLIPOXFBX-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1cccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001047386006 1218138234 /nfs/dbraw/zinc/13/82/34/1218138234.db2.gz ITZIPZLIPOXFBX-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP Cc1ccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001047427521 1218142011 /nfs/dbraw/zinc/14/20/11/1218142011.db2.gz VFXVLTBBOWWJPI-XGXHKWSGSA-N 2 2 361.486 0.718 20 0 FCADLP Cc1ccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001047427521 1218142016 /nfs/dbraw/zinc/14/20/16/1218142016.db2.gz VFXVLTBBOWWJPI-XGXHKWSGSA-N 2 2 361.486 0.718 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001047427521 1218142022 /nfs/dbraw/zinc/14/20/22/1218142022.db2.gz VFXVLTBBOWWJPI-XGXHKWSGSA-N 2 2 361.486 0.718 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001047427521 1218142027 /nfs/dbraw/zinc/14/20/27/1218142027.db2.gz VFXVLTBBOWWJPI-XGXHKWSGSA-N 2 2 361.486 0.718 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001047428216 1218142606 /nfs/dbraw/zinc/14/26/06/1218142606.db2.gz FAXDCHLDFJNIAM-DUUDNCRHSA-N 2 2 366.462 0.014 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001047428216 1218142610 /nfs/dbraw/zinc/14/26/10/1218142610.db2.gz FAXDCHLDFJNIAM-DUUDNCRHSA-N 2 2 366.462 0.014 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001047428216 1218142612 /nfs/dbraw/zinc/14/26/12/1218142612.db2.gz FAXDCHLDFJNIAM-DUUDNCRHSA-N 2 2 366.462 0.014 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001047428216 1218142616 /nfs/dbraw/zinc/14/26/16/1218142616.db2.gz FAXDCHLDFJNIAM-DUUDNCRHSA-N 2 2 366.462 0.014 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249312 1218186101 /nfs/dbraw/zinc/18/61/01/1218186101.db2.gz VVGQRZORFYLYRG-FWYOQMDTSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249312 1218186104 /nfs/dbraw/zinc/18/61/04/1218186104.db2.gz VVGQRZORFYLYRG-FWYOQMDTSA-N 2 2 354.414 0.476 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001096364553 1218268306 /nfs/dbraw/zinc/26/83/06/1218268306.db2.gz UPXQQDGFTGVHPJ-SHPPOPEUSA-N 2 2 371.441 0.288 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001096364553 1218268314 /nfs/dbraw/zinc/26/83/14/1218268314.db2.gz UPXQQDGFTGVHPJ-SHPPOPEUSA-N 2 2 371.441 0.288 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001048564982 1218290271 /nfs/dbraw/zinc/29/02/71/1218290271.db2.gz FAWWZMSOICRLOD-RNGXCGTMSA-N 2 2 371.485 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001048564982 1218290278 /nfs/dbraw/zinc/29/02/78/1218290278.db2.gz FAWWZMSOICRLOD-RNGXCGTMSA-N 2 2 371.485 0.771 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1[nH+]cnc2c1cnn2C ZINC001048706004 1218307625 /nfs/dbraw/zinc/30/76/25/1218307625.db2.gz DFHKTAFCRABGGP-LSDHHAIUSA-N 2 2 357.462 0.933 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001096434753 1218333024 /nfs/dbraw/zinc/33/30/24/1218333024.db2.gz HVRFTCARMPXXRC-VDERGJSUSA-N 2 2 355.446 0.761 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001096434753 1218333030 /nfs/dbraw/zinc/33/30/30/1218333030.db2.gz HVRFTCARMPXXRC-VDERGJSUSA-N 2 2 355.446 0.761 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891566 1218336181 /nfs/dbraw/zinc/33/61/81/1218336181.db2.gz QASINUSJGPRPBK-WCXIOVBPSA-N 2 2 361.490 0.512 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891566 1218336186 /nfs/dbraw/zinc/33/61/86/1218336186.db2.gz QASINUSJGPRPBK-WCXIOVBPSA-N 2 2 361.490 0.512 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891566 1218336191 /nfs/dbraw/zinc/33/61/91/1218336191.db2.gz QASINUSJGPRPBK-WCXIOVBPSA-N 2 2 361.490 0.512 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891566 1218336193 /nfs/dbraw/zinc/33/61/93/1218336193.db2.gz QASINUSJGPRPBK-WCXIOVBPSA-N 2 2 361.490 0.512 20 0 FCADLP Cn1nncc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277072067 1225820971 /nfs/dbraw/zinc/82/09/71/1225820971.db2.gz JMWQVKAUCDUMQT-QGZVFWFLSA-N 2 2 357.418 0.053 20 0 FCADLP Cn1nncc1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001277072067 1225820973 /nfs/dbraw/zinc/82/09/73/1225820973.db2.gz JMWQVKAUCDUMQT-QGZVFWFLSA-N 2 2 357.418 0.053 20 0 FCADLP COc1coc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001096540104 1218463588 /nfs/dbraw/zinc/46/35/88/1218463588.db2.gz JIJLCNXIJCNMCL-XRGAULLZSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001096540104 1218463593 /nfs/dbraw/zinc/46/35/93/1218463593.db2.gz JIJLCNXIJCNMCL-XRGAULLZSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001096540104 1218463597 /nfs/dbraw/zinc/46/35/97/1218463597.db2.gz JIJLCNXIJCNMCL-XRGAULLZSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001096540104 1218463602 /nfs/dbraw/zinc/46/36/02/1218463602.db2.gz JIJLCNXIJCNMCL-XRGAULLZSA-N 2 2 361.442 0.822 20 0 FCADLP Cn1nncc1C[N@@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277072031 1225823144 /nfs/dbraw/zinc/82/31/44/1225823144.db2.gz IVWBRBUNXMXGFG-GOSISDBHSA-N 2 2 357.462 0.916 20 0 FCADLP Cc1ncncc1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277073012 1225824595 /nfs/dbraw/zinc/82/45/95/1225824595.db2.gz XLTBFKXLYCSYTH-SFHVURJKSA-N 2 2 356.430 0.485 20 0 FCADLP Cc1ncncc1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277073012 1225824598 /nfs/dbraw/zinc/82/45/98/1225824598.db2.gz XLTBFKXLYCSYTH-SFHVURJKSA-N 2 2 356.430 0.485 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)NC1CC1 ZINC001049733740 1218539198 /nfs/dbraw/zinc/53/91/98/1218539198.db2.gz BZSKEKJVFSGSJK-NCOADZHNSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NC1CC1 ZINC001049733740 1218539203 /nfs/dbraw/zinc/53/92/03/1218539203.db2.gz BZSKEKJVFSGSJK-NCOADZHNSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N1CCC1 ZINC001049735799 1218540376 /nfs/dbraw/zinc/54/03/76/1218540376.db2.gz JVEZMZZGFFZHJV-NCOADZHNSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049735799 1218540384 /nfs/dbraw/zinc/54/03/84/1218540384.db2.gz JVEZMZZGFFZHJV-NCOADZHNSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCn1cncn1 ZINC001049735332 1218540908 /nfs/dbraw/zinc/54/09/08/1218540908.db2.gz HWAZCWQPLYORIZ-VQHPVUNQSA-N 2 2 369.473 0.881 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCn1cncn1 ZINC001049735332 1218540912 /nfs/dbraw/zinc/54/09/12/1218540912.db2.gz HWAZCWQPLYORIZ-VQHPVUNQSA-N 2 2 369.473 0.881 20 0 FCADLP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225960690 1225829670 /nfs/dbraw/zinc/82/96/70/1225829670.db2.gz GNAYOZHPCJTUCU-ZIAGYGMSSA-N 2 2 360.466 0.956 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887941 1218631731 /nfs/dbraw/zinc/63/17/31/1218631731.db2.gz XODJYKINADIOIZ-LVQVYYBASA-N 2 2 370.457 0.338 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887941 1218631738 /nfs/dbraw/zinc/63/17/38/1218631738.db2.gz XODJYKINADIOIZ-LVQVYYBASA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887941 1218631746 /nfs/dbraw/zinc/63/17/46/1218631746.db2.gz XODJYKINADIOIZ-LVQVYYBASA-N 2 2 370.457 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001096887941 1218631750 /nfs/dbraw/zinc/63/17/50/1218631750.db2.gz XODJYKINADIOIZ-LVQVYYBASA-N 2 2 370.457 0.338 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912024 1218637555 /nfs/dbraw/zinc/63/75/55/1218637555.db2.gz VQHGBLSFUCOZQG-ZJPYXAASSA-N 2 2 372.469 0.338 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912024 1218637560 /nfs/dbraw/zinc/63/75/60/1218637560.db2.gz VQHGBLSFUCOZQG-ZJPYXAASSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912024 1218637564 /nfs/dbraw/zinc/63/75/64/1218637564.db2.gz VQHGBLSFUCOZQG-ZJPYXAASSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912024 1218637571 /nfs/dbraw/zinc/63/75/71/1218637571.db2.gz VQHGBLSFUCOZQG-ZJPYXAASSA-N 2 2 372.469 0.338 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001097372624 1218794349 /nfs/dbraw/zinc/79/43/49/1218794349.db2.gz FEMLAIYFKUBGRI-SRABZTEZSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001097372624 1218794361 /nfs/dbraw/zinc/79/43/61/1218794361.db2.gz FEMLAIYFKUBGRI-SRABZTEZSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001097364600 1218799597 /nfs/dbraw/zinc/79/95/97/1218799597.db2.gz YWBHWFBGXRGPQB-SRABZTEZSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001097364600 1218799605 /nfs/dbraw/zinc/79/96/05/1218799605.db2.gz YWBHWFBGXRGPQB-SRABZTEZSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001097364609 1218800036 /nfs/dbraw/zinc/80/00/36/1218800036.db2.gz ZFDYMYYEZRBOPE-AHCXZYCDSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001097364609 1218800038 /nfs/dbraw/zinc/80/00/38/1218800038.db2.gz ZFDYMYYEZRBOPE-AHCXZYCDSA-N 2 2 371.485 0.789 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508130 1218813677 /nfs/dbraw/zinc/81/36/77/1218813677.db2.gz WKKHYYSYGFWHLC-CUBALJKWSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508130 1218813678 /nfs/dbraw/zinc/81/36/78/1218813678.db2.gz WKKHYYSYGFWHLC-CUBALJKWSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001052816681 1218864919 /nfs/dbraw/zinc/86/49/19/1218864919.db2.gz LAPYPRROUNHOJT-UMVBOHGHSA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001052816681 1218864921 /nfs/dbraw/zinc/86/49/21/1218864921.db2.gz LAPYPRROUNHOJT-UMVBOHGHSA-N 2 2 357.462 0.646 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CC[N@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001277146892 1225851843 /nfs/dbraw/zinc/85/18/43/1225851843.db2.gz PORHFWBVDPHDTN-KRWDZBQOSA-N 2 2 358.402 0.209 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001277146892 1225851846 /nfs/dbraw/zinc/85/18/46/1225851846.db2.gz PORHFWBVDPHDTN-KRWDZBQOSA-N 2 2 358.402 0.209 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001053653716 1218889444 /nfs/dbraw/zinc/88/94/44/1218889444.db2.gz VTFYWDGPYKBPPI-UMVBOHGHSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001053653716 1218889447 /nfs/dbraw/zinc/88/94/47/1218889447.db2.gz VTFYWDGPYKBPPI-UMVBOHGHSA-N 2 2 357.462 0.964 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200107 1218899967 /nfs/dbraw/zinc/89/99/67/1218899967.db2.gz QLJAQICOPWJZAG-SPYBWZPUSA-N 2 2 359.474 0.584 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200107 1218899968 /nfs/dbraw/zinc/89/99/68/1218899968.db2.gz QLJAQICOPWJZAG-SPYBWZPUSA-N 2 2 359.474 0.584 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[NH+](C)CC2 ZINC001054920202 1218968160 /nfs/dbraw/zinc/96/81/60/1218968160.db2.gz SUDUCXWECCALER-QCSYZSNVSA-N 2 2 370.501 0.785 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[NH+](C)CC2 ZINC001054920202 1218968163 /nfs/dbraw/zinc/96/81/63/1218968163.db2.gz SUDUCXWECCALER-QCSYZSNVSA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@H+](C)CC2 ZINC001054920202 1218968167 /nfs/dbraw/zinc/96/81/67/1218968167.db2.gz SUDUCXWECCALER-QCSYZSNVSA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@@H+](C)CC2 ZINC001054920202 1218968178 /nfs/dbraw/zinc/96/81/78/1218968178.db2.gz SUDUCXWECCALER-QCSYZSNVSA-N 2 2 370.501 0.785 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001055069133 1218988433 /nfs/dbraw/zinc/98/84/33/1218988433.db2.gz IIKKNGGESLGTHN-SNPRPXQTSA-N 2 2 367.457 0.685 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227164695 1225864688 /nfs/dbraw/zinc/86/46/88/1225864688.db2.gz FCTJLKSLZNOCFY-DJIMGWMZSA-N 2 2 361.490 0.987 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227176324 1225865546 /nfs/dbraw/zinc/86/55/46/1225865546.db2.gz WOKMEDXMEZAZPW-BZUAXINKSA-N 2 2 361.490 0.941 20 0 FCADLP CC1CC(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](n3ccnn3)C2)C1 ZINC001070075719 1219143507 /nfs/dbraw/zinc/14/35/07/1219143507.db2.gz BGMXSRDANWPFDB-MMADZMRASA-N 2 2 357.462 0.642 20 0 FCADLP CC1CC(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](n3ccnn3)C2)C1 ZINC001070075719 1219143512 /nfs/dbraw/zinc/14/35/12/1219143512.db2.gz BGMXSRDANWPFDB-MMADZMRASA-N 2 2 357.462 0.642 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](n3ccnn3)C2)on1 ZINC001070076521 1219144283 /nfs/dbraw/zinc/14/42/83/1219144283.db2.gz QXYYBYIHNYGAER-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](n3ccnn3)C2)on1 ZINC001070076521 1219144292 /nfs/dbraw/zinc/14/42/92/1219144292.db2.gz QXYYBYIHNYGAER-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096160 1219166252 /nfs/dbraw/zinc/16/62/52/1219166252.db2.gz KXQGTPROMFBOTM-KSZLIROESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096160 1219166253 /nfs/dbraw/zinc/16/62/53/1219166253.db2.gz KXQGTPROMFBOTM-KSZLIROESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096160 1219166254 /nfs/dbraw/zinc/16/62/54/1219166254.db2.gz KXQGTPROMFBOTM-KSZLIROESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096160 1219166255 /nfs/dbraw/zinc/16/62/55/1219166255.db2.gz KXQGTPROMFBOTM-KSZLIROESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097356 1219169368 /nfs/dbraw/zinc/16/93/68/1219169368.db2.gz NZDHYGDQFJWEGE-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097356 1219169372 /nfs/dbraw/zinc/16/93/72/1219169372.db2.gz NZDHYGDQFJWEGE-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097356 1219169376 /nfs/dbraw/zinc/16/93/76/1219169376.db2.gz NZDHYGDQFJWEGE-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097356 1219169381 /nfs/dbraw/zinc/16/93/81/1219169381.db2.gz NZDHYGDQFJWEGE-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070109195 1219182964 /nfs/dbraw/zinc/18/29/64/1219182964.db2.gz KIZZVNKUYKYNEU-MSOLQXFVSA-N 2 2 365.441 0.759 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070109195 1219182972 /nfs/dbraw/zinc/18/29/72/1219182972.db2.gz KIZZVNKUYKYNEU-MSOLQXFVSA-N 2 2 365.441 0.759 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070165204 1219256719 /nfs/dbraw/zinc/25/67/19/1219256719.db2.gz IRMFHWNGUVEHGM-FGTMMUONSA-N 2 2 370.457 0.150 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070165204 1219256726 /nfs/dbraw/zinc/25/67/26/1219256726.db2.gz IRMFHWNGUVEHGM-FGTMMUONSA-N 2 2 370.457 0.150 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217636 1219299576 /nfs/dbraw/zinc/29/95/76/1219299576.db2.gz LZZVQTAMGDMZMN-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001070220745 1219302764 /nfs/dbraw/zinc/30/27/64/1219302764.db2.gz PLZHFRTYXRYSIH-XHSDSOJGSA-N 2 2 357.462 0.735 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070284635 1219348672 /nfs/dbraw/zinc/34/86/72/1219348672.db2.gz MTQVELANODEZPE-SJORKVTESA-N 2 2 369.404 0.925 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070302617 1219361301 /nfs/dbraw/zinc/36/13/01/1219361301.db2.gz BHOHLVKBXGVOKF-KFWWJZLASA-N 2 2 359.434 0.155 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)c1cccnc1 ZINC001070334934 1219384524 /nfs/dbraw/zinc/38/45/24/1219384524.db2.gz XEGJPTDNKYTZKI-SQNIBIBYSA-N 2 2 369.473 0.728 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070336992 1219384925 /nfs/dbraw/zinc/38/49/25/1219384925.db2.gz GWFAODDBONRRMB-CVEARBPZSA-N 2 2 370.392 0.251 20 0 FCADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070337299 1219385817 /nfs/dbraw/zinc/38/58/17/1219385817.db2.gz YZRULPYWUQQSCY-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP COCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001070380470 1219406040 /nfs/dbraw/zinc/40/60/40/1219406040.db2.gz HZLKHYZPDCYHMG-QAPCUYQASA-N 2 2 363.462 0.074 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070382475 1219406981 /nfs/dbraw/zinc/40/69/81/1219406981.db2.gz AHZKRNWGUIYIPT-QAPCUYQASA-N 2 2 365.453 0.636 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001070513463 1219448172 /nfs/dbraw/zinc/44/81/72/1219448172.db2.gz PWVQSECJFLEWLR-IJEWVQPXSA-N 2 2 368.441 0.646 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070539264 1219459191 /nfs/dbraw/zinc/45/91/91/1219459191.db2.gz FPVAZELYQIZEQJ-DOTOQJQBSA-N 2 2 368.445 0.167 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070540676 1219459765 /nfs/dbraw/zinc/45/97/65/1219459765.db2.gz DCCWBVWJMARJSH-FUHWJXTLSA-N 2 2 365.441 0.865 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]C[C@@H]2CCOC2)c1 ZINC001070570532 1219474717 /nfs/dbraw/zinc/47/47/17/1219474717.db2.gz UXFSSCZWQXEVBC-YQQAZPJKSA-N 2 2 358.446 0.237 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2cncn2C)cn1 ZINC001070723268 1219543205 /nfs/dbraw/zinc/54/32/05/1219543205.db2.gz BWFQXGIQWYEMFJ-HZPDHXFCSA-N 2 2 368.445 0.135 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070926883 1219583311 /nfs/dbraw/zinc/58/33/11/1219583311.db2.gz NWRQREOPRLZWEE-XHSDSOJGSA-N 2 2 361.446 0.645 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070926883 1219583315 /nfs/dbraw/zinc/58/33/15/1219583315.db2.gz NWRQREOPRLZWEE-XHSDSOJGSA-N 2 2 361.446 0.645 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001070927301 1219584119 /nfs/dbraw/zinc/58/41/19/1219584119.db2.gz WNUFAGDSCBBYTJ-KFWWJZLASA-N 2 2 365.409 0.349 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001070927301 1219584121 /nfs/dbraw/zinc/58/41/21/1219584121.db2.gz WNUFAGDSCBBYTJ-KFWWJZLASA-N 2 2 365.409 0.349 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)c[nH+]1 ZINC001071064043 1219598065 /nfs/dbraw/zinc/59/80/65/1219598065.db2.gz DDFRDPVGODFVAV-SJORKVTESA-N 2 2 364.490 0.905 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001071070629 1219600151 /nfs/dbraw/zinc/60/01/51/1219600151.db2.gz ZIQWUGYIMNFASL-KDOFPFPSSA-N 2 2 371.441 0.419 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001071095810 1219605312 /nfs/dbraw/zinc/60/53/12/1219605312.db2.gz QFXKJUNURDSUAW-VBQJREDUSA-N 2 2 363.462 0.202 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001072994452 1219629750 /nfs/dbraw/zinc/62/97/50/1219629750.db2.gz BKHJVHNTCGGIEV-HUUCEWRRSA-N 2 2 355.446 0.350 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001072994452 1219629755 /nfs/dbraw/zinc/62/97/55/1219629755.db2.gz BKHJVHNTCGGIEV-HUUCEWRRSA-N 2 2 355.446 0.350 20 0 FCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709568 1219677822 /nfs/dbraw/zinc/67/78/22/1219677822.db2.gz ZYVLQCYMPGIEBB-SQNIBIBYSA-N 2 2 369.506 0.483 20 0 FCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709568 1219677823 /nfs/dbraw/zinc/67/78/23/1219677823.db2.gz ZYVLQCYMPGIEBB-SQNIBIBYSA-N 2 2 369.506 0.483 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001098221449 1219743201 /nfs/dbraw/zinc/74/32/01/1219743201.db2.gz XKPXUHRRESJIDI-CLWVCHIJSA-N 2 2 355.446 0.463 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001098221449 1219743204 /nfs/dbraw/zinc/74/32/04/1219743204.db2.gz XKPXUHRRESJIDI-CLWVCHIJSA-N 2 2 355.446 0.463 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001098898121 1219856573 /nfs/dbraw/zinc/85/65/73/1219856573.db2.gz FFHRQNUUZRNOJV-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001098898121 1219856574 /nfs/dbraw/zinc/85/65/74/1219856574.db2.gz FFHRQNUUZRNOJV-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001098898121 1219856578 /nfs/dbraw/zinc/85/65/78/1219856578.db2.gz FFHRQNUUZRNOJV-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001098898121 1219856582 /nfs/dbraw/zinc/85/65/82/1219856582.db2.gz FFHRQNUUZRNOJV-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001098910674 1219860142 /nfs/dbraw/zinc/86/01/42/1219860142.db2.gz LNXCKBHKYPNYGL-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001098910674 1219860145 /nfs/dbraw/zinc/86/01/45/1219860145.db2.gz LNXCKBHKYPNYGL-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246396 1219889577 /nfs/dbraw/zinc/88/95/77/1219889577.db2.gz NZNZCHIBFFWMDT-ZIAGYGMSSA-N 2 2 361.446 0.374 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246396 1219889580 /nfs/dbraw/zinc/88/95/80/1219889580.db2.gz NZNZCHIBFFWMDT-ZIAGYGMSSA-N 2 2 361.446 0.374 20 0 FCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750252722 1219890854 /nfs/dbraw/zinc/89/08/54/1219890854.db2.gz OBWDPHQXJZMOAU-CQSZACIVSA-N 2 2 365.478 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001099034758 1219894849 /nfs/dbraw/zinc/89/48/49/1219894849.db2.gz AIWUXNLHAAYSFD-MKSNKDDYSA-N 2 2 369.473 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001099034758 1219894851 /nfs/dbraw/zinc/89/48/51/1219894851.db2.gz AIWUXNLHAAYSFD-MKSNKDDYSA-N 2 2 369.473 0.786 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001111465517 1219899326 /nfs/dbraw/zinc/89/93/26/1219899326.db2.gz ZECQBFJBEVGTNX-OIISXLGYSA-N 2 2 362.474 0.958 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001111465517 1219899329 /nfs/dbraw/zinc/89/93/29/1219899329.db2.gz ZECQBFJBEVGTNX-OIISXLGYSA-N 2 2 362.474 0.958 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001111465517 1219899330 /nfs/dbraw/zinc/89/93/30/1219899330.db2.gz ZECQBFJBEVGTNX-OIISXLGYSA-N 2 2 362.474 0.958 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001111465517 1219899331 /nfs/dbraw/zinc/89/93/31/1219899331.db2.gz ZECQBFJBEVGTNX-OIISXLGYSA-N 2 2 362.474 0.958 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001099137959 1219925874 /nfs/dbraw/zinc/92/58/74/1219925874.db2.gz KYLAJGRNFKUOPM-KSSFIOAISA-N 2 2 360.462 0.257 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001099137959 1219925878 /nfs/dbraw/zinc/92/58/78/1219925878.db2.gz KYLAJGRNFKUOPM-KSSFIOAISA-N 2 2 360.462 0.257 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncn2C)C3)C1 ZINC001099172068 1219939869 /nfs/dbraw/zinc/93/98/69/1219939869.db2.gz QMIMIOJSZMVCSC-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncn2C)C3)C1 ZINC001099172068 1219939874 /nfs/dbraw/zinc/93/98/74/1219939874.db2.gz QMIMIOJSZMVCSC-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cncn2C)C3)C1 ZINC001099172068 1219939875 /nfs/dbraw/zinc/93/98/75/1219939875.db2.gz QMIMIOJSZMVCSC-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cncn2C)C3)C1 ZINC001099172068 1219939879 /nfs/dbraw/zinc/93/98/79/1219939879.db2.gz QMIMIOJSZMVCSC-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncn2C)C1 ZINC001099469412 1220007039 /nfs/dbraw/zinc/00/70/39/1220007039.db2.gz FJGGVAMUBCNCKQ-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001099533159 1220025767 /nfs/dbraw/zinc/02/57/67/1220025767.db2.gz MHDOMKFQULWIJI-GMBSWORKSA-N 2 2 359.474 0.460 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)C1=O ZINC001099540785 1220028307 /nfs/dbraw/zinc/02/83/07/1220028307.db2.gz BMABTQNRPXQJBI-FCEWJHQRSA-N 2 2 359.474 0.722 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000751355971 1220034249 /nfs/dbraw/zinc/03/42/49/1220034249.db2.gz MDZRLNAKWUTYMH-KRWDZBQOSA-N 2 2 360.458 0.797 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000751355971 1220034254 /nfs/dbraw/zinc/03/42/54/1220034254.db2.gz MDZRLNAKWUTYMH-KRWDZBQOSA-N 2 2 360.458 0.797 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001101257393 1220250903 /nfs/dbraw/zinc/25/09/03/1220250903.db2.gz RTDIBDBBFNYEJE-VKJFTORMSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001101257393 1220250909 /nfs/dbraw/zinc/25/09/09/1220250909.db2.gz RTDIBDBBFNYEJE-VKJFTORMSA-N 2 2 366.485 0.775 20 0 FCADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228853048 1225958346 /nfs/dbraw/zinc/95/83/46/1225958346.db2.gz NUSKYUWWSBHHRP-MGPQQGTHSA-N 2 2 364.450 0.307 20 0 FCADLP Cn1c(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)nnc1C1CC1 ZINC001101350965 1220297354 /nfs/dbraw/zinc/29/73/54/1220297354.db2.gz NASVKBYLYRKYDR-BEFAXECRSA-N 2 2 360.506 0.925 20 0 FCADLP Cn1c(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)nnc1C1CC1 ZINC001101350965 1220297358 /nfs/dbraw/zinc/29/73/58/1220297358.db2.gz NASVKBYLYRKYDR-BEFAXECRSA-N 2 2 360.506 0.925 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101369002 1220305739 /nfs/dbraw/zinc/30/57/39/1220305739.db2.gz YIWTXAOISOERFH-KDOFPFPSSA-N 2 2 363.510 0.468 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101369002 1220305741 /nfs/dbraw/zinc/30/57/41/1220305741.db2.gz YIWTXAOISOERFH-KDOFPFPSSA-N 2 2 363.510 0.468 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101369002 1220305746 /nfs/dbraw/zinc/30/57/46/1220305746.db2.gz YIWTXAOISOERFH-KDOFPFPSSA-N 2 2 363.510 0.468 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101369002 1220305750 /nfs/dbraw/zinc/30/57/50/1220305750.db2.gz YIWTXAOISOERFH-KDOFPFPSSA-N 2 2 363.510 0.468 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375300 1220308471 /nfs/dbraw/zinc/30/84/71/1220308471.db2.gz LUUZOLZAZMSXOT-KDOFPFPSSA-N 2 2 362.478 0.440 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375300 1220308478 /nfs/dbraw/zinc/30/84/78/1220308478.db2.gz LUUZOLZAZMSXOT-KDOFPFPSSA-N 2 2 362.478 0.440 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430033 1220340135 /nfs/dbraw/zinc/34/01/35/1220340135.db2.gz LNCVNVOXKXQPBO-BEFAXECRSA-N 2 2 361.490 0.659 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430033 1220340137 /nfs/dbraw/zinc/34/01/37/1220340137.db2.gz LNCVNVOXKXQPBO-BEFAXECRSA-N 2 2 361.490 0.659 20 0 FCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)[nH]1 ZINC001101432389 1220341777 /nfs/dbraw/zinc/34/17/77/1220341777.db2.gz PQNUXKQEOBEIHB-SIIHOXLZSA-N 2 2 364.494 0.533 20 0 FCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)[nH]1 ZINC001101432389 1220341779 /nfs/dbraw/zinc/34/17/79/1220341779.db2.gz PQNUXKQEOBEIHB-SIIHOXLZSA-N 2 2 364.494 0.533 20 0 FCADLP CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101469620 1220363575 /nfs/dbraw/zinc/36/35/75/1220363575.db2.gz ZUTFWNRICVXDEE-GGPKGHCWSA-N 2 2 365.518 0.914 20 0 FCADLP CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101469620 1220363579 /nfs/dbraw/zinc/36/35/79/1220363579.db2.gz ZUTFWNRICVXDEE-GGPKGHCWSA-N 2 2 365.518 0.914 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC001101488338 1220372823 /nfs/dbraw/zinc/37/28/23/1220372823.db2.gz ZYGGFFMUEHFUPD-BEFAXECRSA-N 2 2 359.474 0.674 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC001101488338 1220372828 /nfs/dbraw/zinc/37/28/28/1220372828.db2.gz ZYGGFFMUEHFUPD-BEFAXECRSA-N 2 2 359.474 0.674 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101928027 1220436307 /nfs/dbraw/zinc/43/63/07/1220436307.db2.gz SDFHLPRQQZIEDC-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101928027 1220436310 /nfs/dbraw/zinc/43/63/10/1220436310.db2.gz SDFHLPRQQZIEDC-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032036 1220470791 /nfs/dbraw/zinc/47/07/91/1220470791.db2.gz NYKAZZAWMUXMCF-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032036 1220470794 /nfs/dbraw/zinc/47/07/94/1220470794.db2.gz NYKAZZAWMUXMCF-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032036 1220470801 /nfs/dbraw/zinc/47/08/01/1220470801.db2.gz NYKAZZAWMUXMCF-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032036 1220470805 /nfs/dbraw/zinc/47/08/05/1220470805.db2.gz NYKAZZAWMUXMCF-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102045272 1220476237 /nfs/dbraw/zinc/47/62/37/1220476237.db2.gz ZLRGFBHDKNMEFC-FMKPAKJESA-N 2 2 361.450 0.081 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102045272 1220476238 /nfs/dbraw/zinc/47/62/38/1220476238.db2.gz ZLRGFBHDKNMEFC-FMKPAKJESA-N 2 2 361.450 0.081 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102045182 1220476418 /nfs/dbraw/zinc/47/64/18/1220476418.db2.gz VKWJJBCTAALBGS-BRWVUGGUSA-N 2 2 371.489 0.488 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102045182 1220476422 /nfs/dbraw/zinc/47/64/22/1220476422.db2.gz VKWJJBCTAALBGS-BRWVUGGUSA-N 2 2 371.489 0.488 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048806 1220477054 /nfs/dbraw/zinc/47/70/54/1220477054.db2.gz PMRMYYQJOHUPQI-FRFSOERESA-N 2 2 363.510 0.607 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048806 1220477061 /nfs/dbraw/zinc/47/70/61/1220477061.db2.gz PMRMYYQJOHUPQI-FRFSOERESA-N 2 2 363.510 0.607 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105596 1220498284 /nfs/dbraw/zinc/49/82/84/1220498284.db2.gz WNXUNVGGSZQKEF-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105596 1220498293 /nfs/dbraw/zinc/49/82/93/1220498293.db2.gz WNXUNVGGSZQKEF-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102204930 1220550198 /nfs/dbraw/zinc/55/01/98/1220550198.db2.gz CAQSGBMRIURPJZ-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102204930 1220550201 /nfs/dbraw/zinc/55/02/01/1220550201.db2.gz CAQSGBMRIURPJZ-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366969 1220597082 /nfs/dbraw/zinc/59/70/82/1220597082.db2.gz WRVIRGRRPRIAGD-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366969 1220597090 /nfs/dbraw/zinc/59/70/90/1220597090.db2.gz WRVIRGRRPRIAGD-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102366969 1220597097 /nfs/dbraw/zinc/59/70/97/1220597097.db2.gz WRVIRGRRPRIAGD-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102366969 1220597102 /nfs/dbraw/zinc/59/71/02/1220597102.db2.gz WRVIRGRRPRIAGD-OWCLPIDISA-N 2 2 366.485 0.916 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1C)[NH+](C)C ZINC001102378291 1220600956 /nfs/dbraw/zinc/60/09/56/1220600956.db2.gz RUKCAOILWUGTNO-KFWWJZLASA-N 2 2 364.494 0.333 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1C)[NH+](C)C ZINC001102378291 1220600958 /nfs/dbraw/zinc/60/09/58/1220600958.db2.gz RUKCAOILWUGTNO-KFWWJZLASA-N 2 2 364.494 0.333 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102454918 1220631125 /nfs/dbraw/zinc/63/11/25/1220631125.db2.gz YNWBKOKYDCDUAV-RRFJBIMHSA-N 2 2 361.490 0.893 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001102454918 1220631131 /nfs/dbraw/zinc/63/11/31/1220631131.db2.gz YNWBKOKYDCDUAV-RRFJBIMHSA-N 2 2 361.490 0.893 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102495637 1220656845 /nfs/dbraw/zinc/65/68/45/1220656845.db2.gz FOLQECCXUFGTFQ-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102495637 1220656847 /nfs/dbraw/zinc/65/68/47/1220656847.db2.gz FOLQECCXUFGTFQ-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102495637 1220656850 /nfs/dbraw/zinc/65/68/50/1220656850.db2.gz FOLQECCXUFGTFQ-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102495637 1220656852 /nfs/dbraw/zinc/65/68/52/1220656852.db2.gz FOLQECCXUFGTFQ-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)[nH]1 ZINC001229142486 1225983792 /nfs/dbraw/zinc/98/37/92/1225983792.db2.gz VBSDTXQZSNCGLH-NUEKZKHPSA-N 2 2 364.494 0.913 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513308 1220672699 /nfs/dbraw/zinc/67/26/99/1220672699.db2.gz FENOOLYHWFMWJR-NUJGCVRESA-N 2 2 364.490 0.842 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513308 1220672700 /nfs/dbraw/zinc/67/27/00/1220672700.db2.gz FENOOLYHWFMWJR-NUJGCVRESA-N 2 2 364.490 0.842 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514541 1220673904 /nfs/dbraw/zinc/67/39/04/1220673904.db2.gz ANDPYHJWLAERAH-BZUAXINKSA-N 2 2 363.506 0.807 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514541 1220673906 /nfs/dbraw/zinc/67/39/06/1220673906.db2.gz ANDPYHJWLAERAH-BZUAXINKSA-N 2 2 363.506 0.807 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601015 1220722556 /nfs/dbraw/zinc/72/25/56/1220722556.db2.gz GYCBYFXBDKSEQG-HZPDHXFCSA-N 2 2 365.526 0.998 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601015 1220722558 /nfs/dbraw/zinc/72/25/58/1220722558.db2.gz GYCBYFXBDKSEQG-HZPDHXFCSA-N 2 2 365.526 0.998 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601015 1220722565 /nfs/dbraw/zinc/72/25/65/1220722565.db2.gz GYCBYFXBDKSEQG-HZPDHXFCSA-N 2 2 365.526 0.998 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601015 1220722572 /nfs/dbraw/zinc/72/25/72/1220722572.db2.gz GYCBYFXBDKSEQG-HZPDHXFCSA-N 2 2 365.526 0.998 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102601113 1220723288 /nfs/dbraw/zinc/72/32/88/1220723288.db2.gz LRUVJUWZLOUGRG-HUUCEWRRSA-N 2 2 364.494 0.333 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102601113 1220723292 /nfs/dbraw/zinc/72/32/92/1220723292.db2.gz LRUVJUWZLOUGRG-HUUCEWRRSA-N 2 2 364.494 0.333 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102601113 1220723298 /nfs/dbraw/zinc/72/32/98/1220723298.db2.gz LRUVJUWZLOUGRG-HUUCEWRRSA-N 2 2 364.494 0.333 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102601113 1220723302 /nfs/dbraw/zinc/72/33/02/1220723302.db2.gz LRUVJUWZLOUGRG-HUUCEWRRSA-N 2 2 364.494 0.333 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159767 1220841777 /nfs/dbraw/zinc/84/17/77/1220841777.db2.gz YOCJYSKHGUQWJD-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159767 1220841778 /nfs/dbraw/zinc/84/17/78/1220841778.db2.gz YOCJYSKHGUQWJD-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185568 1220847526 /nfs/dbraw/zinc/84/75/26/1220847526.db2.gz DVPLQTOHZLNYAO-HUUCEWRRSA-N 2 2 361.494 0.413 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185568 1220847527 /nfs/dbraw/zinc/84/75/27/1220847527.db2.gz DVPLQTOHZLNYAO-HUUCEWRRSA-N 2 2 361.494 0.413 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001103742396 1220957878 /nfs/dbraw/zinc/95/78/78/1220957878.db2.gz DWVFXTDHROBYMH-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001103742396 1220957883 /nfs/dbraw/zinc/95/78/83/1220957883.db2.gz DWVFXTDHROBYMH-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001103742396 1220957889 /nfs/dbraw/zinc/95/78/89/1220957889.db2.gz DWVFXTDHROBYMH-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001103742396 1220957892 /nfs/dbraw/zinc/95/78/92/1220957892.db2.gz DWVFXTDHROBYMH-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752409 1220963944 /nfs/dbraw/zinc/96/39/44/1220963944.db2.gz DOEVCBFSXXMUOF-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752409 1220963948 /nfs/dbraw/zinc/96/39/48/1220963948.db2.gz DOEVCBFSXXMUOF-HZPDHXFCSA-N 2 2 363.510 0.660 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756867 1220966372 /nfs/dbraw/zinc/96/63/72/1220966372.db2.gz DTPYMHIYAKUTRO-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756867 1220966379 /nfs/dbraw/zinc/96/63/79/1220966379.db2.gz DTPYMHIYAKUTRO-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756867 1220966384 /nfs/dbraw/zinc/96/63/84/1220966384.db2.gz DTPYMHIYAKUTRO-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756867 1220966392 /nfs/dbraw/zinc/96/63/92/1220966392.db2.gz DTPYMHIYAKUTRO-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779179 1220971525 /nfs/dbraw/zinc/97/15/25/1220971525.db2.gz PULFIAQICAJDNH-HZPDHXFCSA-N 2 2 364.494 0.665 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779179 1220971530 /nfs/dbraw/zinc/97/15/30/1220971530.db2.gz PULFIAQICAJDNH-HZPDHXFCSA-N 2 2 364.494 0.665 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1C ZINC001104034207 1221001138 /nfs/dbraw/zinc/00/11/38/1221001138.db2.gz XLYCNNTVSZBMPY-QGPMSJSTSA-N 2 2 363.506 0.633 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1C ZINC001104034207 1221001141 /nfs/dbraw/zinc/00/11/41/1221001141.db2.gz XLYCNNTVSZBMPY-QGPMSJSTSA-N 2 2 363.506 0.633 20 0 FCADLP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)c1nnnn1C ZINC001104132947 1221012049 /nfs/dbraw/zinc/01/20/49/1221012049.db2.gz IVGGBGBVOMUBAF-MGPQQGTHSA-N 2 2 360.466 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104202792 1221021135 /nfs/dbraw/zinc/02/11/35/1221021135.db2.gz PMMWXUMICMPECJ-BMFZPTHFSA-N 2 2 361.494 0.126 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H]1CCn2c[nH+]cc2C1 ZINC001111790082 1221110523 /nfs/dbraw/zinc/11/05/23/1221110523.db2.gz HEPSKKHWHQRLCC-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H]1CCn2c[nH+]cc2C1 ZINC001111790082 1221110524 /nfs/dbraw/zinc/11/05/24/1221110524.db2.gz HEPSKKHWHQRLCC-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111963970 1221188079 /nfs/dbraw/zinc/18/80/79/1221188079.db2.gz CSNVPVPRXBQPOF-VCBZYWHSSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111963970 1221188081 /nfs/dbraw/zinc/18/80/81/1221188081.db2.gz CSNVPVPRXBQPOF-VCBZYWHSSA-N 2 2 361.490 0.800 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)C)C3)C1 ZINC001111995985 1221196610 /nfs/dbraw/zinc/19/66/10/1221196610.db2.gz FPUHKWCJMLVFGX-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)C)C3)C1 ZINC001111995985 1221196612 /nfs/dbraw/zinc/19/66/12/1221196612.db2.gz FPUHKWCJMLVFGX-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(C)C)C3)C1 ZINC001111995985 1221196614 /nfs/dbraw/zinc/19/66/14/1221196614.db2.gz FPUHKWCJMLVFGX-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(C)C)C3)C1 ZINC001111995985 1221196616 /nfs/dbraw/zinc/19/66/16/1221196616.db2.gz FPUHKWCJMLVFGX-BXWFABGCSA-N 2 2 366.506 0.202 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001112438434 1221259520 /nfs/dbraw/zinc/25/95/20/1221259520.db2.gz DOOPHWIXMWUZPD-VCBZYWHSSA-N 2 2 359.474 0.410 20 0 FCADLP Cc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC001116079866 1221334492 /nfs/dbraw/zinc/33/44/92/1221334492.db2.gz NMTVXLRWJSMUQG-CQSZACIVSA-N 2 2 362.478 0.767 20 0 FCADLP Cc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC001116079866 1221334495 /nfs/dbraw/zinc/33/44/95/1221334495.db2.gz NMTVXLRWJSMUQG-CQSZACIVSA-N 2 2 362.478 0.767 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC001117171407 1221487604 /nfs/dbraw/zinc/48/76/04/1221487604.db2.gz YKEZIFZGLSJJJL-GOEBONIOSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1C ZINC001230150088 1226059446 /nfs/dbraw/zinc/05/94/46/1226059446.db2.gz VUGPQPNPGWSVCC-BZUAXINKSA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC001117903158 1221647520 /nfs/dbraw/zinc/64/75/20/1221647520.db2.gz VHVUWNAJBUOFDG-OAHLLOKOSA-N 2 2 368.522 0.233 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC001117903158 1221647524 /nfs/dbraw/zinc/64/75/24/1221647524.db2.gz VHVUWNAJBUOFDG-OAHLLOKOSA-N 2 2 368.522 0.233 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118107586 1221711710 /nfs/dbraw/zinc/71/17/10/1221711710.db2.gz UMPDAHDGSLKYQE-BGTYHANMSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118107586 1221711717 /nfs/dbraw/zinc/71/17/17/1221711717.db2.gz UMPDAHDGSLKYQE-BGTYHANMSA-N 2 2 362.518 0.918 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352549 1226077022 /nfs/dbraw/zinc/07/70/22/1226077022.db2.gz FPJWBBYSESQEFX-ARFHVFGLSA-N 2 2 365.478 0.441 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC001119290188 1221897375 /nfs/dbraw/zinc/89/73/75/1221897375.db2.gz QZZLPFMYXPVLKE-WBVHZDCISA-N 2 2 360.458 0.078 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001119356897 1221905283 /nfs/dbraw/zinc/90/52/83/1221905283.db2.gz MYVHHXZIDARWRB-GOEBONIOSA-N 3 2 365.522 0.047 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC001120650827 1222111292 /nfs/dbraw/zinc/11/12/92/1222111292.db2.gz JSOLGYRTDGBYJU-IEBWSBKVSA-N 2 2 358.490 0.879 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1(n3cccn3)CC[NH2+]CC1)C2 ZINC001122044008 1222236566 /nfs/dbraw/zinc/23/65/66/1222236566.db2.gz MTVKYDQADPCHLL-HNNXBMFYSA-N 2 2 372.473 0.133 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123695608 1222351480 /nfs/dbraw/zinc/35/14/80/1222351480.db2.gz UXMFGXVADWMSLV-WMZOPIPTSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123695608 1222351483 /nfs/dbraw/zinc/35/14/83/1222351483.db2.gz UXMFGXVADWMSLV-WMZOPIPTSA-N 2 2 367.538 0.375 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2cncnc2)CC3)cn1 ZINC001137667709 1222415339 /nfs/dbraw/zinc/41/53/39/1222415339.db2.gz WDUDUUASJKSSBQ-UHFFFAOYSA-N 2 2 366.429 0.395 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2cncnc2)CC3)cn1 ZINC001137667709 1222415342 /nfs/dbraw/zinc/41/53/42/1222415342.db2.gz WDUDUUASJKSSBQ-UHFFFAOYSA-N 2 2 366.429 0.395 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000829792035 1222447398 /nfs/dbraw/zinc/44/73/98/1222447398.db2.gz OHHAAXFCYNIRHS-QRQLOZEOSA-N 2 2 374.485 0.999 20 0 FCADLP O=C1NC(=O)C2(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)N1 ZINC001139058749 1222538720 /nfs/dbraw/zinc/53/87/20/1222538720.db2.gz AADKLFHKASYYLY-UHFFFAOYSA-N 2 2 358.442 0.693 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3cncc(O)c3)CC2)C1 ZINC001232041744 1226138777 /nfs/dbraw/zinc/13/87/77/1226138777.db2.gz NGAGRQZMJYQXHU-UHFFFAOYSA-N 2 2 362.474 0.790 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cncc(O)c3)CC2)C1 ZINC001232041744 1226138780 /nfs/dbraw/zinc/13/87/80/1226138780.db2.gz NGAGRQZMJYQXHU-UHFFFAOYSA-N 2 2 362.474 0.790 20 0 FCADLP COC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)Cc2nnn(C)c21 ZINC001232366303 1226148195 /nfs/dbraw/zinc/14/81/95/1226148195.db2.gz ZBMRXDJNFHPZSD-INIZCTEOSA-N 2 2 371.489 0.708 20 0 FCADLP COC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)nc2)Cc2nnn(C)c21 ZINC001232366303 1226148196 /nfs/dbraw/zinc/14/81/96/1226148196.db2.gz ZBMRXDJNFHPZSD-INIZCTEOSA-N 2 2 371.489 0.708 20 0 FCADLP COC(=O)c1cnc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001141830134 1222780614 /nfs/dbraw/zinc/78/06/14/1222780614.db2.gz XYWSCJNIEQZSDQ-UHFFFAOYSA-N 2 2 361.446 0.249 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843057331 1222858160 /nfs/dbraw/zinc/85/81/60/1222858160.db2.gz CDRMGWZXOQPCCW-UHFFFAOYSA-N 2 2 370.497 0.933 20 0 FCADLP CCOC(=O)C1=C(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@@H]1C ZINC000843388829 1222875262 /nfs/dbraw/zinc/87/52/62/1222875262.db2.gz YOHDXKBWYPXESC-OLZOCXBDSA-N 2 2 366.462 0.192 20 0 FCADLP CCOC(=O)C1=C(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@@H]1C ZINC000843388829 1222875264 /nfs/dbraw/zinc/87/52/64/1222875264.db2.gz YOHDXKBWYPXESC-OLZOCXBDSA-N 2 2 366.462 0.192 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)C1 ZINC001157673272 1223080452 /nfs/dbraw/zinc/08/04/52/1223080452.db2.gz LIFDXRQAKCTDTB-PVAVHDDUSA-N 2 2 358.442 0.860 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001158249438 1223091747 /nfs/dbraw/zinc/09/17/47/1223091747.db2.gz GVCVSRLRALIRNI-GDBMZVCRSA-N 2 2 357.462 0.579 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001158257490 1223092376 /nfs/dbraw/zinc/09/23/76/1223092376.db2.gz XELPFTSILUIVNG-HZPDHXFCSA-N 2 2 357.462 0.542 20 0 FCADLP CO[C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC001158712237 1223106146 /nfs/dbraw/zinc/10/61/46/1223106146.db2.gz AGVVMZROZHVYQZ-DLBZAZTESA-N 2 2 354.458 0.966 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891370 1223112073 /nfs/dbraw/zinc/11/20/73/1223112073.db2.gz YBQBFGBPSLWDRB-DHSIGJKJSA-N 3 2 374.420 0.368 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158926308 1223112700 /nfs/dbraw/zinc/11/27/00/1223112700.db2.gz QEZJXAFFGIOZNI-TXPKVOOTSA-N 2 2 360.433 0.323 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935544 1223113549 /nfs/dbraw/zinc/11/35/49/1223113549.db2.gz VQVPLXSSKMBGMA-OWCLPIDISA-N 2 2 354.414 0.077 20 0 FCADLP [NH3+]Cc1ccc2nnn(-c3nc(N4CCOCC4)[nH+]c4c3CCN4)c2c1 ZINC001159026656 1223115744 /nfs/dbraw/zinc/11/57/44/1223115744.db2.gz OFXNTOMXJZOYMW-UHFFFAOYSA-N 2 2 352.402 0.474 20 0 FCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cn1 ZINC001159090551 1223117202 /nfs/dbraw/zinc/11/72/02/1223117202.db2.gz DSNITRXPPLYJCZ-YESZJQIVSA-N 2 2 368.441 0.399 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccccc3C[NH3+])C2)C1 ZINC001159127202 1223117687 /nfs/dbraw/zinc/11/76/87/1223117687.db2.gz SFFYVVUCDLNWSL-FQEVSTJZSA-N 2 2 374.485 0.446 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccccc3C[NH3+])C2)C1 ZINC001159127202 1223117688 /nfs/dbraw/zinc/11/76/88/1223117688.db2.gz SFFYVVUCDLNWSL-FQEVSTJZSA-N 2 2 374.485 0.446 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159136532 1223118276 /nfs/dbraw/zinc/11/82/76/1223118276.db2.gz XRVBOLICVJNUHQ-OKZBNKHCSA-N 3 2 354.458 0.560 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159136532 1223118278 /nfs/dbraw/zinc/11/82/78/1223118278.db2.gz XRVBOLICVJNUHQ-OKZBNKHCSA-N 3 2 354.458 0.560 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cc1 ZINC001159273277 1223122770 /nfs/dbraw/zinc/12/27/70/1223122770.db2.gz SRXCJJSQDCGHDA-BBWFWOEESA-N 2 2 368.441 0.165 20 0 FCADLP Cc1cccc(N2CCC[C@@]3(CN(C(=O)[C@@H]4C[C@H]([NH3+])C[NH2+]4)CCO3)C2)c1 ZINC001159298476 1223123478 /nfs/dbraw/zinc/12/34/78/1223123478.db2.gz KUTKSVWPEKUDIG-QRFRQXIXSA-N 2 2 358.486 0.882 20 0 FCADLP COC(=O)[C@@H]([NH3+])CC(=O)N(c1cccc(C)c1)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001159337957 1223124661 /nfs/dbraw/zinc/12/46/61/1223124661.db2.gz CJGWGWVZEFEJKT-BXWFABGCSA-N 2 2 361.442 0.739 20 0 FCADLP Cc1cccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159341014 1223125226 /nfs/dbraw/zinc/12/52/26/1223125226.db2.gz ZJXGIDGTSOBPGU-IEBWSBKVSA-N 3 2 358.486 0.930 20 0 FCADLP O=C(N1CCCn2cnc(C[NH2+]C3CCC3)c2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159548405 1223129118 /nfs/dbraw/zinc/12/91/18/1223129118.db2.gz ADBTZUIPKAZSKM-IFXJQAMLSA-N 3 2 358.490 0.209 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)[C@H]2C ZINC001159633789 1223131786 /nfs/dbraw/zinc/13/17/86/1223131786.db2.gz RCRXTILQFWDYRN-PSLQGDIJSA-N 3 2 360.506 0.848 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)[C@H]2C ZINC001159633789 1223131787 /nfs/dbraw/zinc/13/17/87/1223131787.db2.gz RCRXTILQFWDYRN-PSLQGDIJSA-N 3 2 360.506 0.848 20 0 FCADLP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001159695286 1223133807 /nfs/dbraw/zinc/13/38/07/1223133807.db2.gz BEJZKNXQDSGCGA-GABDYKALSA-N 2 2 359.474 0.935 20 0 FCADLP [NH3+]C1(C(=O)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC[NH2+]CC1 ZINC001159701169 1223134532 /nfs/dbraw/zinc/13/45/32/1223134532.db2.gz WEGLNTBPMGWUAD-HRCADAONSA-N 2 2 360.458 0.547 20 0 FCADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001159898245 1223139602 /nfs/dbraw/zinc/13/96/02/1223139602.db2.gz JKWVAUYPGPZGSO-OALUTQOASA-N 2 2 369.469 0.738 20 0 FCADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001159898245 1223139603 /nfs/dbraw/zinc/13/96/03/1223139603.db2.gz JKWVAUYPGPZGSO-OALUTQOASA-N 2 2 369.469 0.738 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159930889 1223140148 /nfs/dbraw/zinc/14/01/48/1223140148.db2.gz YSDZEJXLWUZRRX-KVIBHRHWSA-N 2 2 357.414 0.190 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]12 ZINC001159989893 1223141797 /nfs/dbraw/zinc/14/17/97/1223141797.db2.gz DUSBFQTVIIKJRN-DOADOZAASA-N 2 2 356.470 0.467 20 0 FCADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001160035725 1223142897 /nfs/dbraw/zinc/14/28/97/1223142897.db2.gz MVNPXOVZEHQEKZ-ROUUACIJSA-N 2 2 366.469 0.681 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160060497 1223144048 /nfs/dbraw/zinc/14/40/48/1223144048.db2.gz WHPBPUMNIKDJSP-AWEZNQCLSA-N 2 2 372.429 0.195 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175546 1223148140 /nfs/dbraw/zinc/14/81/40/1223148140.db2.gz XZKGTGNXRBGESL-IIAWOOMASA-N 2 2 361.494 0.750 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175546 1223148144 /nfs/dbraw/zinc/14/81/44/1223148144.db2.gz XZKGTGNXRBGESL-IIAWOOMASA-N 2 2 361.494 0.750 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175546 1223148148 /nfs/dbraw/zinc/14/81/48/1223148148.db2.gz XZKGTGNXRBGESL-IIAWOOMASA-N 2 2 361.494 0.750 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175546 1223148153 /nfs/dbraw/zinc/14/81/53/1223148153.db2.gz XZKGTGNXRBGESL-IIAWOOMASA-N 2 2 361.494 0.750 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160172847 1223148365 /nfs/dbraw/zinc/14/83/65/1223148365.db2.gz HQBJHSHTICZWPU-CQSZACIVSA-N 2 2 368.397 0.826 20 0 FCADLP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001160228769 1223150914 /nfs/dbraw/zinc/15/09/14/1223150914.db2.gz UYMYCVLBFLHVPB-WOYTXXSLSA-N 2 2 357.458 0.101 20 0 FCADLP CC(C)CN1c2ccccc2[C@@]2(CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C2)C1=O ZINC001160286233 1223153198 /nfs/dbraw/zinc/15/31/98/1223153198.db2.gz NJDOBJHIMNCVRE-UVFQYZLESA-N 2 2 356.470 0.849 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336717 1223155999 /nfs/dbraw/zinc/15/59/99/1223155999.db2.gz JYWRCZQZNARYKJ-YNEHKIRRSA-N 2 2 364.450 0.232 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336717 1223156003 /nfs/dbraw/zinc/15/60/03/1223156003.db2.gz JYWRCZQZNARYKJ-YNEHKIRRSA-N 2 2 364.450 0.232 20 0 FCADLP [NH3+]C1(C(=O)N2CCc3onc(C(=O)Nc4cccnc4)c3C2)CC[NH2+]CC1 ZINC001160352428 1223156109 /nfs/dbraw/zinc/15/61/09/1223156109.db2.gz GEYFVNKUDOZJHA-UHFFFAOYSA-N 2 2 370.413 0.288 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001160424383 1223159357 /nfs/dbraw/zinc/15/93/57/1223159357.db2.gz SKVVLPSXUDZSMX-LZBKUMLDSA-N 3 2 357.502 0.687 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001160424383 1223159360 /nfs/dbraw/zinc/15/93/60/1223159360.db2.gz SKVVLPSXUDZSMX-LZBKUMLDSA-N 3 2 357.502 0.687 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001160435796 1223159651 /nfs/dbraw/zinc/15/96/51/1223159651.db2.gz MXKFMUDIRLWYBO-HRCADAONSA-N 2 2 368.441 0.788 20 0 FCADLP CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001160489980 1223162343 /nfs/dbraw/zinc/16/23/43/1223162343.db2.gz IDDALVXWLGSIOW-RDJZCZTQSA-N 2 2 359.478 0.329 20 0 FCADLP O=C(N1CCc2[nH+]ccn2CC1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001160760274 1223172057 /nfs/dbraw/zinc/17/20/57/1223172057.db2.gz JBZUDBOSIGJNIK-OXQOHEQNSA-N 2 2 351.454 0.994 20 0 FCADLP CCOC(=O)[C@]12CN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C[C@H]1C[NH2+]CC2 ZINC001160819537 1223176042 /nfs/dbraw/zinc/17/60/42/1223176042.db2.gz RNXHNJMLONFDHV-GPMSIDNRSA-N 3 2 360.458 0.260 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)c1ccccc1 ZINC001160905544 1223180360 /nfs/dbraw/zinc/18/03/60/1223180360.db2.gz PSQUTBKOKPPDPN-SFHLNBCPSA-N 3 2 372.513 0.717 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)CC2)c1 ZINC001160940035 1223180795 /nfs/dbraw/zinc/18/07/95/1223180795.db2.gz AYBBMKLNHCANLU-GGPKGHCWSA-N 2 2 374.485 0.582 20 0 FCADLP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160940003 1223181083 /nfs/dbraw/zinc/18/10/83/1223181083.db2.gz JPCNWMMKEZNFFD-XLIONFOSSA-N 2 2 356.470 0.242 20 0 FCADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC001160955402 1223181605 /nfs/dbraw/zinc/18/16/05/1223181605.db2.gz ARYHLJWQIUAROX-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC001160955402 1223181608 /nfs/dbraw/zinc/18/16/08/1223181608.db2.gz ARYHLJWQIUAROX-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c1 ZINC001160944087 1223181668 /nfs/dbraw/zinc/18/16/68/1223181668.db2.gz WDBNUAWFNYKRMX-SFHVURJKSA-N 2 2 373.457 0.654 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1c1ccc(F)cc1 ZINC001161084397 1223185048 /nfs/dbraw/zinc/18/50/48/1223185048.db2.gz HUMNBFPWRQHNQP-OWCLPIDISA-N 2 2 360.389 0.834 20 0 FCADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001161145251 1223187115 /nfs/dbraw/zinc/18/71/15/1223187115.db2.gz ABVSXAZSJIQSMN-MSOLQXFVSA-N 2 2 374.485 0.166 20 0 FCADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001161145251 1223187116 /nfs/dbraw/zinc/18/71/16/1223187116.db2.gz ABVSXAZSJIQSMN-MSOLQXFVSA-N 2 2 374.485 0.166 20 0 FCADLP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161172519 1223188665 /nfs/dbraw/zinc/18/86/65/1223188665.db2.gz VHXGIKIQQYBJCH-OIEOMLHZSA-N 2 2 361.446 0.187 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239211 1223191050 /nfs/dbraw/zinc/19/10/50/1223191050.db2.gz YEHSGGRDEPLHBK-RDJZCZTQSA-N 2 2 356.426 0.420 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239211 1223191051 /nfs/dbraw/zinc/19/10/51/1223191051.db2.gz YEHSGGRDEPLHBK-RDJZCZTQSA-N 2 2 356.426 0.420 20 0 FCADLP O=C(Nc1ccccc1)NC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161246864 1223191833 /nfs/dbraw/zinc/19/18/33/1223191833.db2.gz QUQSWDYTXKIIQM-LIRRHRJNSA-N 2 2 357.458 0.751 20 0 FCADLP COc1ccnc(N(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C2CC[NH2+]CC2)c1 ZINC001161389509 1223197997 /nfs/dbraw/zinc/19/79/97/1223197997.db2.gz QOANNSHYWMMQBP-INIZCTEOSA-N 3 2 358.446 0.479 20 0 FCADLP O=C(CCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2)CC1)c1ccc(F)cc1 ZINC001161516636 1223203516 /nfs/dbraw/zinc/20/35/16/1223203516.db2.gz FWNMMLQJTDHVLH-QGZVFWFLSA-N 2 2 362.449 0.494 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ncc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162978192 1223222716 /nfs/dbraw/zinc/22/27/16/1223222716.db2.gz UGILSAILEQEEGO-UHFFFAOYSA-N 2 2 373.461 0.490 20 0 FCADLP Cc1nc(-n2cncn2)cc(N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)[nH+]1 ZINC001163461049 1223231042 /nfs/dbraw/zinc/23/10/42/1223231042.db2.gz ADWIEOURZGSZNX-AWEZNQCLSA-N 2 2 358.450 0.898 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)[nH+]2)CC1 ZINC001163653817 1223233379 /nfs/dbraw/zinc/23/33/79/1223233379.db2.gz LHHFMNPFTJVWLZ-MRXNPFEDSA-N 2 2 359.474 0.661 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1ccco1 ZINC001166960112 1223290638 /nfs/dbraw/zinc/29/06/38/1223290638.db2.gz AOOIFTOTBXSAJE-HUUCEWRRSA-N 2 2 359.430 0.529 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205156843 1223313635 /nfs/dbraw/zinc/31/36/35/1223313635.db2.gz HNAUYTZNXXCGCL-QZTJIDSGSA-N 2 2 358.442 0.258 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205211624 1223316698 /nfs/dbraw/zinc/31/66/98/1223316698.db2.gz JNBXHIWDRCRRRX-QZTJIDSGSA-N 2 2 358.442 0.029 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205211624 1223316699 /nfs/dbraw/zinc/31/66/99/1223316699.db2.gz JNBXHIWDRCRRRX-QZTJIDSGSA-N 2 2 358.442 0.029 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586106 1223361967 /nfs/dbraw/zinc/36/19/67/1223361967.db2.gz NVNMIOCQLATZFB-XYPHTWIQSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586106 1223361970 /nfs/dbraw/zinc/36/19/70/1223361970.db2.gz NVNMIOCQLATZFB-XYPHTWIQSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206586106 1223361974 /nfs/dbraw/zinc/36/19/74/1223361974.db2.gz NVNMIOCQLATZFB-XYPHTWIQSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206586106 1223361977 /nfs/dbraw/zinc/36/19/77/1223361977.db2.gz NVNMIOCQLATZFB-XYPHTWIQSA-N 2 2 362.518 0.822 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1)C(C)C ZINC001206739754 1223368499 /nfs/dbraw/zinc/36/84/99/1223368499.db2.gz SZZMEUQEMFRCIT-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1)C(C)C ZINC001206739754 1223368501 /nfs/dbraw/zinc/36/85/01/1223368501.db2.gz SZZMEUQEMFRCIT-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(C)C ZINC001206739754 1223368503 /nfs/dbraw/zinc/36/85/03/1223368503.db2.gz SZZMEUQEMFRCIT-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(C)C ZINC001206739754 1223368506 /nfs/dbraw/zinc/36/85/06/1223368506.db2.gz SZZMEUQEMFRCIT-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207538593 1223453442 /nfs/dbraw/zinc/45/34/42/1223453442.db2.gz QEYFHRVFDKCPQX-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207538593 1223453446 /nfs/dbraw/zinc/45/34/46/1223453446.db2.gz QEYFHRVFDKCPQX-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001207540944 1223453595 /nfs/dbraw/zinc/45/35/95/1223453595.db2.gz MGBTVOJDEVIKHO-BPLDGKMQSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001207540944 1223453597 /nfs/dbraw/zinc/45/35/97/1223453597.db2.gz MGBTVOJDEVIKHO-BPLDGKMQSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001207540944 1223453598 /nfs/dbraw/zinc/45/35/98/1223453598.db2.gz MGBTVOJDEVIKHO-BPLDGKMQSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001207540944 1223453599 /nfs/dbraw/zinc/45/35/99/1223453599.db2.gz MGBTVOJDEVIKHO-BPLDGKMQSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705721 1223472462 /nfs/dbraw/zinc/47/24/62/1223472462.db2.gz HQKLMEOAEAKJDA-GDBMZVCRSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207705721 1223472464 /nfs/dbraw/zinc/47/24/64/1223472464.db2.gz HQKLMEOAEAKJDA-GDBMZVCRSA-N 2 2 366.506 0.060 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ncn4ccccc34)C2)OCC1=O ZINC001276559572 1223519459 /nfs/dbraw/zinc/51/94/59/1223519459.db2.gz DNIRYCXGCOHTMY-LJQANCHMSA-N 2 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ncn4ccccc34)C2)OCC1=O ZINC001276559572 1223519463 /nfs/dbraw/zinc/51/94/63/1223519463.db2.gz DNIRYCXGCOHTMY-LJQANCHMSA-N 2 2 357.458 0.699 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364638 1223536121 /nfs/dbraw/zinc/53/61/21/1223536121.db2.gz FMEMQCFUXRNMGA-BZUAXINKSA-N 2 2 363.462 0.247 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364638 1223536126 /nfs/dbraw/zinc/53/61/26/1223536126.db2.gz FMEMQCFUXRNMGA-BZUAXINKSA-N 2 2 363.462 0.247 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405159 1223539982 /nfs/dbraw/zinc/53/99/82/1223539982.db2.gz MERCZHYPJJNSGO-OIISXLGYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405159 1223539985 /nfs/dbraw/zinc/53/99/85/1223539985.db2.gz MERCZHYPJJNSGO-OIISXLGYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405159 1223539987 /nfs/dbraw/zinc/53/99/87/1223539987.db2.gz MERCZHYPJJNSGO-OIISXLGYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405159 1223539989 /nfs/dbraw/zinc/53/99/89/1223539989.db2.gz MERCZHYPJJNSGO-OIISXLGYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001208404882 1223540168 /nfs/dbraw/zinc/54/01/68/1223540168.db2.gz DEXTWERJXKSXKL-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001208404882 1223540172 /nfs/dbraw/zinc/54/01/72/1223540172.db2.gz DEXTWERJXKSXKL-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001208404882 1223540177 /nfs/dbraw/zinc/54/01/77/1223540177.db2.gz DEXTWERJXKSXKL-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)C1 ZINC001208404882 1223540182 /nfs/dbraw/zinc/54/01/82/1223540182.db2.gz DEXTWERJXKSXKL-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001208422118 1223542947 /nfs/dbraw/zinc/54/29/47/1223542947.db2.gz GHUITIOGPFXWDH-CZUORRHYSA-N 2 2 362.474 0.918 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001208422118 1223542949 /nfs/dbraw/zinc/54/29/49/1223542949.db2.gz GHUITIOGPFXWDH-CZUORRHYSA-N 2 2 362.474 0.918 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985087 1223589812 /nfs/dbraw/zinc/58/98/12/1223589812.db2.gz NKAZJKVVJZAWIF-BZUAXINKSA-N 2 2 363.462 0.130 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985087 1223589815 /nfs/dbraw/zinc/58/98/15/1223589815.db2.gz NKAZJKVVJZAWIF-BZUAXINKSA-N 2 2 363.462 0.130 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CC(=O)N(CCN3CCOCC3)C2=O)C1 ZINC001276611810 1223596010 /nfs/dbraw/zinc/59/60/10/1223596010.db2.gz XTABPMZGBGYTKG-IBGZPJMESA-N 2 2 366.506 0.111 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CC(=O)N(CCN3CCOCC3)C2=O)C1 ZINC001276611810 1223596014 /nfs/dbraw/zinc/59/60/14/1223596014.db2.gz XTABPMZGBGYTKG-IBGZPJMESA-N 2 2 366.506 0.111 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](C[C@@H]3COC(C)(C)O3)C2)OCC1=O ZINC001276617882 1223600218 /nfs/dbraw/zinc/60/02/18/1223600218.db2.gz MXZTZAFCASRWPX-CRAIPNDOSA-N 2 2 364.446 0.375 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769069 1223649043 /nfs/dbraw/zinc/64/90/43/1223649043.db2.gz HESVKIMQFMKCRM-CZUORRHYSA-N 2 2 356.430 0.454 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209769069 1223649048 /nfs/dbraw/zinc/64/90/48/1223649048.db2.gz HESVKIMQFMKCRM-CZUORRHYSA-N 2 2 356.430 0.454 20 0 FCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001209836990 1223652964 /nfs/dbraw/zinc/65/29/64/1223652964.db2.gz UCAFSBOTTOGEAJ-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001209836990 1223652966 /nfs/dbraw/zinc/65/29/66/1223652966.db2.gz UCAFSBOTTOGEAJ-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337381 1223684442 /nfs/dbraw/zinc/68/44/42/1223684442.db2.gz NYJWUHDSIOJIOX-GDBMZVCRSA-N 2 2 361.490 0.970 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337381 1223684444 /nfs/dbraw/zinc/68/44/44/1223684444.db2.gz NYJWUHDSIOJIOX-GDBMZVCRSA-N 2 2 361.490 0.970 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718616 1223704847 /nfs/dbraw/zinc/70/48/47/1223704847.db2.gz XJMYXPLDSPPBNV-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718616 1223704849 /nfs/dbraw/zinc/70/48/49/1223704849.db2.gz XJMYXPLDSPPBNV-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184486 1223729646 /nfs/dbraw/zinc/72/96/46/1223729646.db2.gz UWOSADOMCUSJDY-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184486 1223729647 /nfs/dbraw/zinc/72/96/47/1223729647.db2.gz UWOSADOMCUSJDY-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184486 1223729650 /nfs/dbraw/zinc/72/96/50/1223729650.db2.gz UWOSADOMCUSJDY-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184486 1223729653 /nfs/dbraw/zinc/72/96/53/1223729653.db2.gz UWOSADOMCUSJDY-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167595 1223762198 /nfs/dbraw/zinc/76/21/98/1223762198.db2.gz AJGQRZFRUCKSQR-ARFHVFGLSA-N 2 2 365.478 0.264 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167595 1223762199 /nfs/dbraw/zinc/76/21/99/1223762199.db2.gz AJGQRZFRUCKSQR-ARFHVFGLSA-N 2 2 365.478 0.264 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001213335913 1223787127 /nfs/dbraw/zinc/78/71/27/1223787127.db2.gz MXTCAAVLTLQBLT-CGTJXYLNSA-N 2 2 364.490 0.994 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001213335913 1223787131 /nfs/dbraw/zinc/78/71/31/1223787131.db2.gz MXTCAAVLTLQBLT-CGTJXYLNSA-N 2 2 364.490 0.994 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346392 1223788713 /nfs/dbraw/zinc/78/87/13/1223788713.db2.gz KTXDWEOJKSEONK-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346392 1223788715 /nfs/dbraw/zinc/78/87/15/1223788715.db2.gz KTXDWEOJKSEONK-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346177 1223788838 /nfs/dbraw/zinc/78/88/38/1223788838.db2.gz AERABFUEJCXUPX-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346177 1223788840 /nfs/dbraw/zinc/78/88/40/1223788840.db2.gz AERABFUEJCXUPX-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369416 1223791296 /nfs/dbraw/zinc/79/12/96/1223791296.db2.gz STUBLKQFCPFBIV-HZPDHXFCSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369416 1223791299 /nfs/dbraw/zinc/79/12/99/1223791299.db2.gz STUBLKQFCPFBIV-HZPDHXFCSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374628 1223791711 /nfs/dbraw/zinc/79/17/11/1223791711.db2.gz OPTVFBDCRYZGTO-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374628 1223791714 /nfs/dbraw/zinc/79/17/14/1223791714.db2.gz OPTVFBDCRYZGTO-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213379775 1223793097 /nfs/dbraw/zinc/79/30/97/1223793097.db2.gz DRYFIAFVFUFNAC-JFIYKMOQSA-N 2 2 368.522 0.399 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213379775 1223793099 /nfs/dbraw/zinc/79/30/99/1223793099.db2.gz DRYFIAFVFUFNAC-JFIYKMOQSA-N 2 2 368.522 0.399 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526237 1223809369 /nfs/dbraw/zinc/80/93/69/1223809369.db2.gz BRSSIJVAJGAPAL-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526237 1223809370 /nfs/dbraw/zinc/80/93/70/1223809370.db2.gz BRSSIJVAJGAPAL-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588434 1223818888 /nfs/dbraw/zinc/81/88/88/1223818888.db2.gz GQQXOQQXXFPZJP-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588434 1223818890 /nfs/dbraw/zinc/81/88/90/1223818890.db2.gz GQQXOQQXXFPZJP-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588434 1223818891 /nfs/dbraw/zinc/81/88/91/1223818891.db2.gz GQQXOQQXXFPZJP-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588434 1223818894 /nfs/dbraw/zinc/81/88/94/1223818894.db2.gz GQQXOQQXXFPZJP-BRWVUGGUSA-N 2 2 370.538 0.791 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728308 1223839661 /nfs/dbraw/zinc/83/96/61/1223839661.db2.gz GBXIMWMFNNMISP-IAGOWNOFSA-N 2 2 371.428 0.858 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728308 1223839662 /nfs/dbraw/zinc/83/96/62/1223839662.db2.gz GBXIMWMFNNMISP-IAGOWNOFSA-N 2 2 371.428 0.858 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728739 1223840235 /nfs/dbraw/zinc/84/02/35/1223840235.db2.gz RAKWLIHHBRVYTB-RRFJBIMHSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728739 1223840238 /nfs/dbraw/zinc/84/02/38/1223840238.db2.gz RAKWLIHHBRVYTB-RRFJBIMHSA-N 2 2 366.506 0.201 20 0 FCADLP O=C1CC[C@@H](CN2C(=O)C[C@@]3(CCC[N@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704867 1223843853 /nfs/dbraw/zinc/84/38/53/1223843853.db2.gz JDJQPUSXGXWSTQ-KBXCAEBGSA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@@H](CN2C(=O)C[C@@]3(CCC[N@@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704867 1223843854 /nfs/dbraw/zinc/84/38/54/1223843854.db2.gz JDJQPUSXGXWSTQ-KBXCAEBGSA-N 2 2 359.430 0.003 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759770 1223845419 /nfs/dbraw/zinc/84/54/19/1223845419.db2.gz ZSVVTDJMGOMOJN-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759770 1223845420 /nfs/dbraw/zinc/84/54/20/1223845420.db2.gz ZSVVTDJMGOMOJN-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213759770 1223845423 /nfs/dbraw/zinc/84/54/23/1223845423.db2.gz ZSVVTDJMGOMOJN-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705948 1223862475 /nfs/dbraw/zinc/86/24/75/1223862475.db2.gz VYPIQCSWAVUUKB-SFHVURJKSA-N 2 2 361.446 0.203 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705948 1223862477 /nfs/dbraw/zinc/86/24/77/1223862477.db2.gz VYPIQCSWAVUUKB-SFHVURJKSA-N 2 2 361.446 0.203 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@H](OC)C2)C1=O ZINC001213921866 1223873116 /nfs/dbraw/zinc/87/31/16/1223873116.db2.gz KLIRBVKGNBOWOC-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@H](OC)C2)C1=O ZINC001213921866 1223873118 /nfs/dbraw/zinc/87/31/18/1223873118.db2.gz KLIRBVKGNBOWOC-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927447 1223874456 /nfs/dbraw/zinc/87/44/56/1223874456.db2.gz KMNUKENTIOXNOV-IAGOWNOFSA-N 2 2 370.538 0.791 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927447 1223874457 /nfs/dbraw/zinc/87/44/57/1223874457.db2.gz KMNUKENTIOXNOV-IAGOWNOFSA-N 2 2 370.538 0.791 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927447 1223874460 /nfs/dbraw/zinc/87/44/60/1223874460.db2.gz KMNUKENTIOXNOV-IAGOWNOFSA-N 2 2 370.538 0.791 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927447 1223874463 /nfs/dbraw/zinc/87/44/63/1223874463.db2.gz KMNUKENTIOXNOV-IAGOWNOFSA-N 2 2 370.538 0.791 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213977651 1223880500 /nfs/dbraw/zinc/88/05/00/1223880500.db2.gz RNHBDFDLMJKZBQ-QZTJIDSGSA-N 2 2 358.442 0.915 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213977651 1223880501 /nfs/dbraw/zinc/88/05/01/1223880501.db2.gz RNHBDFDLMJKZBQ-QZTJIDSGSA-N 2 2 358.442 0.915 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531243 1223918769 /nfs/dbraw/zinc/91/87/69/1223918769.db2.gz UMSJCRFGTYMMDU-RBSFLKMASA-N 2 2 365.478 0.320 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894992 1223952595 /nfs/dbraw/zinc/95/25/95/1223952595.db2.gz WARZEORIGROZKF-DNNBLBMLSA-N 2 2 363.462 0.102 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894992 1223952597 /nfs/dbraw/zinc/95/25/97/1223952597.db2.gz WARZEORIGROZKF-DNNBLBMLSA-N 2 2 363.462 0.102 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005630 1223962688 /nfs/dbraw/zinc/96/26/88/1223962688.db2.gz BVDWARQLBMYJCT-SUYBPPKGSA-N 2 2 361.490 0.786 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005630 1223962692 /nfs/dbraw/zinc/96/26/92/1223962692.db2.gz BVDWARQLBMYJCT-SUYBPPKGSA-N 2 2 361.490 0.786 20 0 FCADLP CCCC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(N)=O ZINC001215025073 1223964675 /nfs/dbraw/zinc/96/46/75/1223964675.db2.gz VRQDNPHSUUWQKP-XNRPHZJLSA-N 2 2 365.478 0.830 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc([C@@H]2CCCOC2)o1 ZINC001215463101 1224000769 /nfs/dbraw/zinc/00/07/69/1224000769.db2.gz HYHVZMXEBVKVDF-RBSFLKMASA-N 2 2 365.478 0.852 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215585686 1224007579 /nfs/dbraw/zinc/00/75/79/1224007579.db2.gz KYBMLTHZFKQQPL-DTZQCDIJSA-N 2 2 359.474 0.581 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001215586229 1224007767 /nfs/dbraw/zinc/00/77/67/1224007767.db2.gz YBHARBSHBLJWAB-KLHDSHLOSA-N 2 2 361.490 0.827 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001216062002 1224032143 /nfs/dbraw/zinc/03/21/43/1224032143.db2.gz VXKMBZOHPCQBEH-IUODEOHRSA-N 2 2 359.474 0.694 20 0 FCADLP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216064931 1224032447 /nfs/dbraw/zinc/03/24/47/1224032447.db2.gz JFJQEXQBPJCJIK-HUUCEWRRSA-N 2 2 365.478 0.320 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216365883 1224046631 /nfs/dbraw/zinc/04/66/31/1224046631.db2.gz FTUWUCKGWWRJMJ-FRFSOERESA-N 2 2 359.430 0.325 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001216383360 1224048162 /nfs/dbraw/zinc/04/81/62/1224048162.db2.gz KXXZQLBMHCULHB-VNHYZAJKSA-N 2 2 371.445 0.216 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001216396971 1224048431 /nfs/dbraw/zinc/04/84/31/1224048431.db2.gz LBFZZLNCBKRIKS-VXGBXAGGSA-N 2 2 360.418 0.751 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396779 1224048487 /nfs/dbraw/zinc/04/84/87/1224048487.db2.gz GYZRVUZTFDCWMW-RBSFLKMASA-N 2 2 368.478 0.148 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC1CCCC1 ZINC001216393099 1224048751 /nfs/dbraw/zinc/04/87/51/1224048751.db2.gz WQKWPEUFANJWOV-JKIFEVAISA-N 2 2 361.490 0.846 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001216988722 1224083538 /nfs/dbraw/zinc/08/35/38/1224083538.db2.gz YFJMBPOXELLCIM-NVXWUHKLSA-N 2 2 357.458 0.999 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC001217000849 1224083998 /nfs/dbraw/zinc/08/39/98/1224083998.db2.gz QYUMBQSWMFQDFB-SJLPKXTDSA-N 2 2 369.469 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC001217009809 1224084347 /nfs/dbraw/zinc/08/43/47/1224084347.db2.gz GHFCYAWERHBJIJ-SOLBZPMBSA-N 2 2 358.442 0.760 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720289 1226173619 /nfs/dbraw/zinc/17/36/19/1226173619.db2.gz WAQJICLHYKKFKW-MJGOQNOKSA-N 2 2 364.490 0.985 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720289 1226173623 /nfs/dbraw/zinc/17/36/23/1226173623.db2.gz WAQJICLHYKKFKW-MJGOQNOKSA-N 2 2 364.490 0.985 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000978436832 1248755232 /nfs/dbraw/zinc/75/52/32/1248755232.db2.gz PIVXWHKZBVYJEK-ARFHVFGLSA-N 2 2 370.457 0.788 20 0 FCADLP Cc1nnc([C@H](C)[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494344 1248944336 /nfs/dbraw/zinc/94/43/36/1248944336.db2.gz DWFOMOCBDJKYJL-DVOMOZLQSA-N 2 2 364.494 0.816 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494344 1248944347 /nfs/dbraw/zinc/94/43/47/1248944347.db2.gz DWFOMOCBDJKYJL-DVOMOZLQSA-N 2 2 364.494 0.816 20 0 FCADLP Cc1nnc([C@H](C)[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494344 1248944357 /nfs/dbraw/zinc/94/43/57/1248944357.db2.gz DWFOMOCBDJKYJL-DVOMOZLQSA-N 2 2 364.494 0.816 20 0 FCADLP Cc1nnc([C@H](C)[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494344 1248944372 /nfs/dbraw/zinc/94/43/72/1248944372.db2.gz DWFOMOCBDJKYJL-DVOMOZLQSA-N 2 2 364.494 0.816 20 0 FCADLP Cc1cnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nc1 ZINC000985495898 1248945824 /nfs/dbraw/zinc/94/58/24/1248945824.db2.gz LNOJKEDRNJSLKF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nc1 ZINC000985495898 1248945840 /nfs/dbraw/zinc/94/58/40/1248945840.db2.gz LNOJKEDRNJSLKF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nc1 ZINC000985495898 1248945855 /nfs/dbraw/zinc/94/58/55/1248945855.db2.gz LNOJKEDRNJSLKF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)nc1 ZINC000985495898 1248945864 /nfs/dbraw/zinc/94/58/64/1248945864.db2.gz LNOJKEDRNJSLKF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000986773294 1248995129 /nfs/dbraw/zinc/99/51/29/1248995129.db2.gz ZGMSNFZWJDOVBI-RYRKJORJSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993322766 1249467383 /nfs/dbraw/zinc/46/73/83/1249467383.db2.gz PVAIIEUSHBHHFY-NXEZDXNNSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993322766 1249467389 /nfs/dbraw/zinc/46/73/89/1249467389.db2.gz PVAIIEUSHBHHFY-NXEZDXNNSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993435092 1249531496 /nfs/dbraw/zinc/53/14/96/1249531496.db2.gz GRNKLFHUIRCVBU-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993435092 1249531502 /nfs/dbraw/zinc/53/15/02/1249531502.db2.gz GRNKLFHUIRCVBU-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993500183 1249593530 /nfs/dbraw/zinc/59/35/30/1249593530.db2.gz FELXYESDQHWOPR-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993500183 1249593540 /nfs/dbraw/zinc/59/35/40/1249593540.db2.gz FELXYESDQHWOPR-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000993578164 1249723229 /nfs/dbraw/zinc/72/32/29/1249723229.db2.gz IPXCVDUCDRNWCO-ZACQAIPSSA-N 2 2 361.490 0.971 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000993578164 1249723235 /nfs/dbraw/zinc/72/32/35/1249723235.db2.gz IPXCVDUCDRNWCO-ZACQAIPSSA-N 2 2 361.490 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993580116 1249729878 /nfs/dbraw/zinc/72/98/78/1249729878.db2.gz ZCXXDTXZPINTLL-CHWSQXEVSA-N 2 2 369.416 0.582 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993585429 1249741474 /nfs/dbraw/zinc/74/14/74/1249741474.db2.gz MFASEHIQCLJRIP-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000993585429 1249741485 /nfs/dbraw/zinc/74/14/85/1249741485.db2.gz MFASEHIQCLJRIP-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993599792 1249767034 /nfs/dbraw/zinc/76/70/34/1249767034.db2.gz LFAMRRAQNLTVEY-ZACQAIPSSA-N 2 2 371.485 0.891 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000993599792 1249767044 /nfs/dbraw/zinc/76/70/44/1249767044.db2.gz LFAMRRAQNLTVEY-ZACQAIPSSA-N 2 2 371.485 0.891 20 0 FCADLP CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1c[nH+]cn1C ZINC000993609235 1249804135 /nfs/dbraw/zinc/80/41/35/1249804135.db2.gz WSSBBJHJCSUZDS-ZJIFWQFVSA-N 2 2 361.490 0.971 20 0 FCADLP CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1c[nH+]cn1C ZINC000993609235 1249804148 /nfs/dbraw/zinc/80/41/48/1249804148.db2.gz WSSBBJHJCSUZDS-ZJIFWQFVSA-N 2 2 361.490 0.971 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)C)C1 ZINC000993608902 1249804610 /nfs/dbraw/zinc/80/46/10/1249804610.db2.gz ZPIGYPPYKGYEFI-HUUCEWRRSA-N 2 2 358.446 0.692 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)C1CC1 ZINC000993609579 1249808616 /nfs/dbraw/zinc/80/86/16/1249808616.db2.gz BMNOZYMPEBOFSY-HZPDHXFCSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)C1CC1 ZINC000993609579 1249808629 /nfs/dbraw/zinc/80/86/29/1249808629.db2.gz BMNOZYMPEBOFSY-HZPDHXFCSA-N 2 2 359.474 0.725 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1)[NH+](C)C ZINC000993612903 1249815060 /nfs/dbraw/zinc/81/50/60/1249815060.db2.gz SNAJCFBNBAUQFD-BZPMIXESSA-N 2 2 371.432 0.682 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)C(F)F ZINC000993614762 1249823310 /nfs/dbraw/zinc/82/33/10/1249823310.db2.gz IHKQBIFJUSZWRQ-VXGBXAGGSA-N 2 2 367.400 0.192 20 0 FCADLP C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1c[nH+]cn1C ZINC000993615832 1249825606 /nfs/dbraw/zinc/82/56/06/1249825606.db2.gz QRLPWAJBRCXOPW-CAOSSQGBSA-N 2 2 371.485 0.583 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986368 1245316581 /nfs/dbraw/zinc/31/65/81/1245316581.db2.gz MQZJLVQQWNVBNH-JFIYKMOQSA-N 2 2 364.442 0.666 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986368 1245316587 /nfs/dbraw/zinc/31/65/87/1245316587.db2.gz MQZJLVQQWNVBNH-JFIYKMOQSA-N 2 2 364.442 0.666 20 0 FCADLP CC(C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCN(C)CC1 ZINC000849057769 1245390533 /nfs/dbraw/zinc/39/05/33/1245390533.db2.gz ZFMVJALFNKBNQE-KRWDZBQOSA-N 2 2 374.537 0.395 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)CC[N@@H+]1C ZINC000994091521 1250187108 /nfs/dbraw/zinc/18/71/08/1250187108.db2.gz WAXBXSMICFAVOL-TXCZRRACSA-N 2 2 361.490 0.893 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)CC[N@H+]1C ZINC000994091521 1250187119 /nfs/dbraw/zinc/18/71/19/1250187119.db2.gz WAXBXSMICFAVOL-TXCZRRACSA-N 2 2 361.490 0.893 20 0 FCADLP 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FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001004815842 1253411788 /nfs/dbraw/zinc/41/17/88/1253411788.db2.gz XJNGXPZVHVQIKW-SIXLDLHFSA-N 2 2 359.474 0.993 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC001005361965 1253532909 /nfs/dbraw/zinc/53/29/09/1253532909.db2.gz ZTQDDFJBVZCJBY-SIRPWMCASA-N 2 2 359.474 0.862 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC001005361965 1253532919 /nfs/dbraw/zinc/53/29/19/1253532919.db2.gz ZTQDDFJBVZCJBY-SIRPWMCASA-N 2 2 359.474 0.862 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC[N@@H+](C2CCC2)C1 ZINC001519641936 1265741981 /nfs/dbraw/zinc/74/19/81/1265741981.db2.gz JPGIWBQBVQTTIB-MRXNPFEDSA-N 2 2 366.506 0.951 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC[N@H+](C2CCC2)C1 ZINC001519641936 1265741983 /nfs/dbraw/zinc/74/19/83/1265741983.db2.gz JPGIWBQBVQTTIB-MRXNPFEDSA-N 2 2 366.506 0.951 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC[NH+](C2CCC2)C1 ZINC001519641936 1265741991 /nfs/dbraw/zinc/74/19/91/1265741991.db2.gz JPGIWBQBVQTTIB-MRXNPFEDSA-N 2 2 366.506 0.951 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC[NH+](C2CCC2)C1 ZINC001519641936 1265742001 /nfs/dbraw/zinc/74/20/01/1265742001.db2.gz JPGIWBQBVQTTIB-MRXNPFEDSA-N 2 2 366.506 0.951 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001006020642 1253688050 /nfs/dbraw/zinc/68/80/50/1253688050.db2.gz VLYNXGVOGXHCRB-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001006183749 1253722983 /nfs/dbraw/zinc/72/29/83/1253722983.db2.gz AONMXQMAMOXFQD-SQWLQELKSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001006183749 1253722984 /nfs/dbraw/zinc/72/29/84/1253722984.db2.gz AONMXQMAMOXFQD-SQWLQELKSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001022175057 1253803011 /nfs/dbraw/zinc/80/30/11/1253803011.db2.gz NVFRJVTZGQBHKL-DOTOQJQBSA-N 2 2 370.457 0.617 20 0 FCADLP CCCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916562 1253847479 /nfs/dbraw/zinc/84/74/79/1253847479.db2.gz KGAYIHOLTIDSEC-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916562 1253847497 /nfs/dbraw/zinc/84/74/97/1253847497.db2.gz KGAYIHOLTIDSEC-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001026916784 1253847737 /nfs/dbraw/zinc/84/77/37/1253847737.db2.gz OHEQNOVMYGYFLM-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001026916784 1253847745 /nfs/dbraw/zinc/84/77/45/1253847745.db2.gz OHEQNOVMYGYFLM-VNHYZAJKSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCCCC3)C2)O1 ZINC001031769251 1253893529 /nfs/dbraw/zinc/89/35/29/1253893529.db2.gz IXRWFWIULPZRPJ-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCCCC3)C2)O1 ZINC001031769251 1253893534 /nfs/dbraw/zinc/89/35/34/1253893534.db2.gz IXRWFWIULPZRPJ-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)c3ccc(F)cc3)C2)O1 ZINC001031765725 1253893639 /nfs/dbraw/zinc/89/36/39/1253893639.db2.gz NIZFYEKKBIRKNF-FSPWUOQZSA-N 2 2 365.449 0.626 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@@H](O)c3ccc(F)cc3)C2)O1 ZINC001031765725 1253893648 /nfs/dbraw/zinc/89/36/48/1253893648.db2.gz NIZFYEKKBIRKNF-FSPWUOQZSA-N 2 2 365.449 0.626 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001031770189 1253895394 /nfs/dbraw/zinc/89/53/94/1253895394.db2.gz WDVJWPZMACVXOL-BFYDXBDKSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001031770189 1253895405 /nfs/dbraw/zinc/89/54/05/1253895405.db2.gz WDVJWPZMACVXOL-BFYDXBDKSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC001329645421 1265798286 /nfs/dbraw/zinc/79/82/86/1265798286.db2.gz SLEQEHVVZLCDDP-PMPSAXMXSA-N 2 2 373.501 0.943 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971661 1254012966 /nfs/dbraw/zinc/01/29/66/1254012966.db2.gz SPQVVQOYCLNUSA-BZUAXINKSA-N 2 2 364.494 0.659 20 0 FCADLP CC(C)n1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971661 1254012977 /nfs/dbraw/zinc/01/29/77/1254012977.db2.gz SPQVVQOYCLNUSA-BZUAXINKSA-N 2 2 364.494 0.659 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001034971350 1254014032 /nfs/dbraw/zinc/01/40/32/1254014032.db2.gz KTMGCDAGMWTNMW-DJIMGWMZSA-N 2 2 364.494 0.659 20 0 FCADLP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001034971350 1254014043 /nfs/dbraw/zinc/01/40/43/1254014043.db2.gz KTMGCDAGMWTNMW-DJIMGWMZSA-N 2 2 364.494 0.659 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001061663466 1254199903 /nfs/dbraw/zinc/19/99/03/1254199903.db2.gz MLUWZACMHWPWQF-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001061663466 1254199916 /nfs/dbraw/zinc/19/99/16/1254199916.db2.gz MLUWZACMHWPWQF-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC001061663466 1254199929 /nfs/dbraw/zinc/19/99/29/1254199929.db2.gz MLUWZACMHWPWQF-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC001061663466 1254199938 /nfs/dbraw/zinc/19/99/38/1254199938.db2.gz MLUWZACMHWPWQF-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC2)CC[N@@H+]1C ZINC001063227318 1254317871 /nfs/dbraw/zinc/31/78/71/1254317871.db2.gz MLLQSJOBGIGRFG-XHSDSOJGSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC2)CC[N@H+]1C ZINC001063227318 1254317879 /nfs/dbraw/zinc/31/78/79/1254317879.db2.gz MLLQSJOBGIGRFG-XHSDSOJGSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001063227318 1254317888 /nfs/dbraw/zinc/31/78/88/1254317888.db2.gz MLLQSJOBGIGRFG-XHSDSOJGSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001063227318 1254317896 /nfs/dbraw/zinc/31/78/96/1254317896.db2.gz MLLQSJOBGIGRFG-XHSDSOJGSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCc3[nH+]ccn3C)CCC2)CC[N@@H+]1C ZINC001063970069 1254406679 /nfs/dbraw/zinc/40/66/79/1254406679.db2.gz XCBSAFHGLSODHF-HUUCEWRRSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)CCc3[nH+]ccn3C)CCC2)CC[N@H+]1C ZINC001063970069 1254406682 /nfs/dbraw/zinc/40/66/82/1254406682.db2.gz XCBSAFHGLSODHF-HUUCEWRRSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CCCF)C3)CC2)CC[N@@H+]1C ZINC001065709616 1254582393 /nfs/dbraw/zinc/58/23/93/1254582393.db2.gz XGVHUEJWYPPADN-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CCCF)C3)CC2)CC[N@H+]1C ZINC001065709616 1254582403 /nfs/dbraw/zinc/58/24/03/1254582403.db2.gz XGVHUEJWYPPADN-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075962623 1254655167 /nfs/dbraw/zinc/65/51/67/1254655167.db2.gz OLNRGEQSUYVIQT-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075962623 1254655178 /nfs/dbraw/zinc/65/51/78/1254655178.db2.gz OLNRGEQSUYVIQT-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)c1 ZINC001077566470 1254700868 /nfs/dbraw/zinc/70/08/68/1254700868.db2.gz CIKKFNFQXDFLTA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC001077566470 1254700881 /nfs/dbraw/zinc/70/08/81/1254700881.db2.gz CIKKFNFQXDFLTA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077566470 1254700896 /nfs/dbraw/zinc/70/08/96/1254700896.db2.gz CIKKFNFQXDFLTA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077566470 1254700910 /nfs/dbraw/zinc/70/09/10/1254700910.db2.gz CIKKFNFQXDFLTA-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)cc1 ZINC001077565598 1254701805 /nfs/dbraw/zinc/70/18/05/1254701805.db2.gz PWSLBWAJJOSBCG-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)cc1 ZINC001077565598 1254701822 /nfs/dbraw/zinc/70/18/22/1254701822.db2.gz PWSLBWAJJOSBCG-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cc1 ZINC001077565598 1254701838 /nfs/dbraw/zinc/70/18/38/1254701838.db2.gz PWSLBWAJJOSBCG-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cc1 ZINC001077565598 1254701851 /nfs/dbraw/zinc/70/18/51/1254701851.db2.gz PWSLBWAJJOSBCG-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001077612628 1254775631 /nfs/dbraw/zinc/77/56/31/1254775631.db2.gz MIGOINUMOOAQAY-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001077612628 1254775639 /nfs/dbraw/zinc/77/56/39/1254775639.db2.gz MIGOINUMOOAQAY-HZPDHXFCSA-N 2 2 364.490 0.939 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001077677114 1254860079 /nfs/dbraw/zinc/86/00/79/1254860079.db2.gz XXNQJYRZNSHXAL-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001077677114 1254860093 /nfs/dbraw/zinc/86/00/93/1254860093.db2.gz XXNQJYRZNSHXAL-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001077677114 1254860104 /nfs/dbraw/zinc/86/01/04/1254860104.db2.gz XXNQJYRZNSHXAL-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001077677114 1254860113 /nfs/dbraw/zinc/86/01/13/1254860113.db2.gz XXNQJYRZNSHXAL-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077762264 1254957683 /nfs/dbraw/zinc/95/76/83/1254957683.db2.gz QKVMGSHFSNYRLN-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077762264 1254957699 /nfs/dbraw/zinc/95/76/99/1254957699.db2.gz QKVMGSHFSNYRLN-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975170 1255139874 /nfs/dbraw/zinc/13/98/74/1255139874.db2.gz DYDASQXCEYEDRH-RTBURBONSA-N 2 2 358.486 0.865 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975170 1255139878 /nfs/dbraw/zinc/13/98/78/1255139878.db2.gz DYDASQXCEYEDRH-RTBURBONSA-N 2 2 358.486 0.865 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001078178790 1255293410 /nfs/dbraw/zinc/29/34/10/1255293410.db2.gz DGZJJDMRJDKYMS-HZPDHXFCSA-N 2 2 361.442 0.215 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001078178790 1255293418 /nfs/dbraw/zinc/29/34/18/1255293418.db2.gz DGZJJDMRJDKYMS-HZPDHXFCSA-N 2 2 361.442 0.215 20 0 FCADLP CCc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272051 1255375478 /nfs/dbraw/zinc/37/54/78/1255375478.db2.gz FMSBLNAZDQCINY-QZTJIDSGSA-N 2 2 358.442 0.686 20 0 FCADLP CCc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272051 1255375488 /nfs/dbraw/zinc/37/54/88/1255375488.db2.gz FMSBLNAZDQCINY-QZTJIDSGSA-N 2 2 358.442 0.686 20 0 FCADLP Cc1conc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418570 1255410485 /nfs/dbraw/zinc/41/04/85/1255410485.db2.gz QYPFNENVZXBXPM-HLLBOEOZSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1conc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418570 1255410491 /nfs/dbraw/zinc/41/04/91/1255410491.db2.gz QYPFNENVZXBXPM-HLLBOEOZSA-N 2 2 366.462 0.409 20 0 FCADLP CC(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001079153233 1255461961 /nfs/dbraw/zinc/46/19/61/1255461961.db2.gz WHZYKNBNGOUHNJ-IAGOWNOFSA-N 2 2 361.490 0.974 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001079204783 1255471832 /nfs/dbraw/zinc/47/18/32/1255471832.db2.gz LYNXMVHPFVFHTO-HRCADAONSA-N 2 2 371.416 0.564 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)O1 ZINC001079247126 1255486358 /nfs/dbraw/zinc/48/63/58/1255486358.db2.gz MTXXKETYFWJELJ-YYIAUSFCSA-N 2 2 369.481 0.614 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)O1 ZINC001079247126 1255486361 /nfs/dbraw/zinc/48/63/61/1255486361.db2.gz MTXXKETYFWJELJ-YYIAUSFCSA-N 2 2 369.481 0.614 20 0 FCADLP C[C@@H](CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)n1cc[nH+]c1 ZINC001079263839 1255494065 /nfs/dbraw/zinc/49/40/65/1255494065.db2.gz NUNLXIOMZBLHGJ-YESZJQIVSA-N 2 2 362.474 0.766 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526783 1255535431 /nfs/dbraw/zinc/53/54/31/1255535431.db2.gz SNPBMUPRHYDCEH-DJIMGWMZSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526783 1255535437 /nfs/dbraw/zinc/53/54/37/1255535437.db2.gz SNPBMUPRHYDCEH-DJIMGWMZSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526783 1255535439 /nfs/dbraw/zinc/53/54/39/1255535439.db2.gz SNPBMUPRHYDCEH-DJIMGWMZSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526783 1255535442 /nfs/dbraw/zinc/53/54/42/1255535442.db2.gz SNPBMUPRHYDCEH-DJIMGWMZSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526792 1255535609 /nfs/dbraw/zinc/53/56/09/1255535609.db2.gz SXOWNFLRYUPMPH-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526792 1255535614 /nfs/dbraw/zinc/53/56/14/1255535614.db2.gz SXOWNFLRYUPMPH-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526792 1255535617 /nfs/dbraw/zinc/53/56/17/1255535617.db2.gz SXOWNFLRYUPMPH-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526792 1255535620 /nfs/dbraw/zinc/53/56/20/1255535620.db2.gz SXOWNFLRYUPMPH-XYPHTWIQSA-N 2 2 360.458 0.053 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1=O ZINC001079947780 1255675819 /nfs/dbraw/zinc/67/58/19/1255675819.db2.gz MTACZRICHIGAKU-BMFZPTHFSA-N 2 2 361.490 0.984 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1=O ZINC001079947780 1255675824 /nfs/dbraw/zinc/67/58/24/1255675824.db2.gz MTACZRICHIGAKU-BMFZPTHFSA-N 2 2 361.490 0.984 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951564 1255678099 /nfs/dbraw/zinc/67/80/99/1255678099.db2.gz UJNRBHSLBIECNZ-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951564 1255678105 /nfs/dbraw/zinc/67/81/05/1255678105.db2.gz UJNRBHSLBIECNZ-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951564 1255678112 /nfs/dbraw/zinc/67/81/12/1255678112.db2.gz UJNRBHSLBIECNZ-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951564 1255678122 /nfs/dbraw/zinc/67/81/22/1255678122.db2.gz UJNRBHSLBIECNZ-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991635 1255696376 /nfs/dbraw/zinc/69/63/76/1255696376.db2.gz OCTCRAOIEMLISV-CKEIUWERSA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991635 1255696381 /nfs/dbraw/zinc/69/63/81/1255696381.db2.gz OCTCRAOIEMLISV-CKEIUWERSA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991936 1255698462 /nfs/dbraw/zinc/69/84/62/1255698462.db2.gz WDXSDQSBJPMUJP-HLLBOEOZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991936 1255698469 /nfs/dbraw/zinc/69/84/69/1255698469.db2.gz WDXSDQSBJPMUJP-HLLBOEOZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991857 1255698641 /nfs/dbraw/zinc/69/86/41/1255698641.db2.gz UHWWIGNRVXHQSK-QGPMSJSTSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991857 1255698648 /nfs/dbraw/zinc/69/86/48/1255698648.db2.gz UHWWIGNRVXHQSK-QGPMSJSTSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099243 1255741062 /nfs/dbraw/zinc/74/10/62/1255741062.db2.gz ADQIEHXPASKVCB-WQVCFCJDSA-N 2 2 354.414 0.206 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099243 1255741071 /nfs/dbraw/zinc/74/10/71/1255741071.db2.gz ADQIEHXPASKVCB-WQVCFCJDSA-N 2 2 354.414 0.206 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164560 1255768325 /nfs/dbraw/zinc/76/83/25/1255768325.db2.gz HMOHQLMWFVDFRZ-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164560 1255768328 /nfs/dbraw/zinc/76/83/28/1255768328.db2.gz HMOHQLMWFVDFRZ-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164560 1255768331 /nfs/dbraw/zinc/76/83/31/1255768331.db2.gz HMOHQLMWFVDFRZ-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)no1 ZINC001080164560 1255768336 /nfs/dbraw/zinc/76/83/36/1255768336.db2.gz HMOHQLMWFVDFRZ-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001080346249 1255857703 /nfs/dbraw/zinc/85/77/03/1255857703.db2.gz SKQWHODFLLOJSE-MRVWCRGKSA-N 2 2 362.430 0.197 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001080346249 1255857718 /nfs/dbraw/zinc/85/77/18/1255857718.db2.gz SKQWHODFLLOJSE-MRVWCRGKSA-N 2 2 362.430 0.197 20 0 FCADLP CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080380492 1255867464 /nfs/dbraw/zinc/86/74/64/1255867464.db2.gz WPZNLNQBANKYDM-HUUCEWRRSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080380492 1255867474 /nfs/dbraw/zinc/86/74/74/1255867474.db2.gz WPZNLNQBANKYDM-HUUCEWRRSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001080420985 1255876851 /nfs/dbraw/zinc/87/68/51/1255876851.db2.gz NIGMIEQUBRDSDO-IJEWVQPXSA-N 2 2 359.474 0.889 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001080420985 1255876856 /nfs/dbraw/zinc/87/68/56/1255876856.db2.gz NIGMIEQUBRDSDO-IJEWVQPXSA-N 2 2 359.474 0.889 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471005 1255904937 /nfs/dbraw/zinc/90/49/37/1255904937.db2.gz JSBCQAMQWXSDAN-KLHDSHLOSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471005 1255904948 /nfs/dbraw/zinc/90/49/48/1255904948.db2.gz JSBCQAMQWXSDAN-KLHDSHLOSA-N 2 2 359.474 0.583 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)o1 ZINC001080593040 1255945957 /nfs/dbraw/zinc/94/59/57/1255945957.db2.gz FZHNNUMRMRZIPY-CZUORRHYSA-N 2 2 360.462 0.991 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)o1 ZINC001080593040 1255945965 /nfs/dbraw/zinc/94/59/65/1255945965.db2.gz FZHNNUMRMRZIPY-CZUORRHYSA-N 2 2 360.462 0.991 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)cn1 ZINC001080593276 1255946383 /nfs/dbraw/zinc/94/63/83/1255946383.db2.gz SEGKBERVZGOJDW-RDTXWAMCSA-N 2 2 371.489 0.793 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)cn1 ZINC001080593276 1255946389 /nfs/dbraw/zinc/94/63/89/1255946389.db2.gz SEGKBERVZGOJDW-RDTXWAMCSA-N 2 2 371.489 0.793 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001080947894 1256107640 /nfs/dbraw/zinc/10/76/40/1256107640.db2.gz SOOXJZRBUYVHKU-CXAGYDPISA-N 2 2 371.441 0.972 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001080947894 1256107655 /nfs/dbraw/zinc/10/76/55/1256107655.db2.gz SOOXJZRBUYVHKU-CXAGYDPISA-N 2 2 371.441 0.972 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979224 1256123585 /nfs/dbraw/zinc/12/35/85/1256123585.db2.gz HJVDHPRFSOJKOW-UNEWFSDZSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979224 1256123587 /nfs/dbraw/zinc/12/35/87/1256123587.db2.gz HJVDHPRFSOJKOW-UNEWFSDZSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080979224 1256123590 /nfs/dbraw/zinc/12/35/90/1256123590.db2.gz HJVDHPRFSOJKOW-UNEWFSDZSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080979224 1256123592 /nfs/dbraw/zinc/12/35/92/1256123592.db2.gz HJVDHPRFSOJKOW-UNEWFSDZSA-N 2 2 364.494 0.264 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001081134450 1256190406 /nfs/dbraw/zinc/19/04/06/1256190406.db2.gz WRHLKRZSXWMZTN-BPQIPLTHSA-N 2 2 367.453 0.515 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001081203338 1256204985 /nfs/dbraw/zinc/20/49/85/1256204985.db2.gz FLKSGCRBKCJHSY-DLBZAZTESA-N 2 2 365.441 0.865 20 0 FCADLP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2ccccc2)C1=O ZINC001081234201 1256214417 /nfs/dbraw/zinc/21/44/17/1256214417.db2.gz ZHCWCTNRPMWDQL-OKZBNKHCSA-N 2 2 367.453 0.698 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081437781 1256256833 /nfs/dbraw/zinc/25/68/33/1256256833.db2.gz HKKDAYCVTIFFBA-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081437781 1256256839 /nfs/dbraw/zinc/25/68/39/1256256839.db2.gz HKKDAYCVTIFFBA-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081437781 1256256845 /nfs/dbraw/zinc/25/68/45/1256256845.db2.gz HKKDAYCVTIFFBA-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081437781 1256256852 /nfs/dbraw/zinc/25/68/52/1256256852.db2.gz HKKDAYCVTIFFBA-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481748 1256271098 /nfs/dbraw/zinc/27/10/98/1256271098.db2.gz UKBOLKZZZGDEFU-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481748 1256271103 /nfs/dbraw/zinc/27/11/03/1256271103.db2.gz UKBOLKZZZGDEFU-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481748 1256271111 /nfs/dbraw/zinc/27/11/11/1256271111.db2.gz UKBOLKZZZGDEFU-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481748 1256271118 /nfs/dbraw/zinc/27/11/18/1256271118.db2.gz UKBOLKZZZGDEFU-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766884 1256359636 /nfs/dbraw/zinc/35/96/36/1256359636.db2.gz IDVXNKGYDNWMED-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766884 1256359640 /nfs/dbraw/zinc/35/96/40/1256359640.db2.gz IDVXNKGYDNWMED-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766884 1256359645 /nfs/dbraw/zinc/35/96/45/1256359645.db2.gz IDVXNKGYDNWMED-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766884 1256359650 /nfs/dbraw/zinc/35/96/50/1256359650.db2.gz IDVXNKGYDNWMED-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799234 1256377537 /nfs/dbraw/zinc/37/75/37/1256377537.db2.gz IJIVPZPRHJFAPD-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799234 1256377549 /nfs/dbraw/zinc/37/75/49/1256377549.db2.gz IJIVPZPRHJFAPD-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799234 1256377552 /nfs/dbraw/zinc/37/75/52/1256377552.db2.gz IJIVPZPRHJFAPD-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799234 1256377561 /nfs/dbraw/zinc/37/75/61/1256377561.db2.gz IJIVPZPRHJFAPD-CGTJXYLNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846811 1256409415 /nfs/dbraw/zinc/40/94/15/1256409415.db2.gz JDWAEADBGSTKEO-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846811 1256409418 /nfs/dbraw/zinc/40/94/18/1256409418.db2.gz JDWAEADBGSTKEO-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846811 1256409420 /nfs/dbraw/zinc/40/94/20/1256409420.db2.gz JDWAEADBGSTKEO-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846811 1256409423 /nfs/dbraw/zinc/40/94/23/1256409423.db2.gz JDWAEADBGSTKEO-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081857100 1256414901 /nfs/dbraw/zinc/41/49/01/1256414901.db2.gz XVGWTCJXGLSLNM-FGTMMUONSA-N 2 2 363.506 0.800 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081857100 1256414905 /nfs/dbraw/zinc/41/49/05/1256414905.db2.gz XVGWTCJXGLSLNM-FGTMMUONSA-N 2 2 363.506 0.800 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081857100 1256414907 /nfs/dbraw/zinc/41/49/07/1256414907.db2.gz XVGWTCJXGLSLNM-FGTMMUONSA-N 2 2 363.506 0.800 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081857100 1256414912 /nfs/dbraw/zinc/41/49/12/1256414912.db2.gz XVGWTCJXGLSLNM-FGTMMUONSA-N 2 2 363.506 0.800 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H](OC)C2)C1=O ZINC001081948111 1256467686 /nfs/dbraw/zinc/46/76/86/1256467686.db2.gz JNUUHYMRBFAHBF-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H](OC)C2)C1=O ZINC001081948111 1256467694 /nfs/dbraw/zinc/46/76/94/1256467694.db2.gz JNUUHYMRBFAHBF-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949450 1256469282 /nfs/dbraw/zinc/46/92/82/1256469282.db2.gz PYNOFVXZOYGRAW-IAGOWNOFSA-N 2 2 360.462 0.520 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949450 1256469286 /nfs/dbraw/zinc/46/92/86/1256469286.db2.gz PYNOFVXZOYGRAW-IAGOWNOFSA-N 2 2 360.462 0.520 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001081980631 1256481185 /nfs/dbraw/zinc/48/11/85/1256481185.db2.gz XLLOFNBHEPMQSS-KZNAEPCWSA-N 2 2 361.490 0.610 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001081980631 1256481186 /nfs/dbraw/zinc/48/11/86/1256481186.db2.gz XLLOFNBHEPMQSS-KZNAEPCWSA-N 2 2 361.490 0.610 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001082138273 1256556428 /nfs/dbraw/zinc/55/64/28/1256556428.db2.gz XCJVDLDNRHZGRZ-KBRIMQKVSA-N 2 2 362.474 0.094 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001082138273 1256556432 /nfs/dbraw/zinc/55/64/32/1256556432.db2.gz XCJVDLDNRHZGRZ-KBRIMQKVSA-N 2 2 362.474 0.094 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)cc1 ZINC001082327216 1256669118 /nfs/dbraw/zinc/66/91/18/1256669118.db2.gz IWMSWMQADSWVJB-QZTJIDSGSA-N 2 2 358.442 0.987 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)cc1 ZINC001082327216 1256669119 /nfs/dbraw/zinc/66/91/19/1256669119.db2.gz IWMSWMQADSWVJB-QZTJIDSGSA-N 2 2 358.442 0.987 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345982 1256689947 /nfs/dbraw/zinc/68/99/47/1256689947.db2.gz KXKHEINDDNAGSP-KZNAEPCWSA-N 2 2 358.442 0.810 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345982 1256689951 /nfs/dbraw/zinc/68/99/51/1256689951.db2.gz KXKHEINDDNAGSP-KZNAEPCWSA-N 2 2 358.442 0.810 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368737 1256717384 /nfs/dbraw/zinc/71/73/84/1256717384.db2.gz LVGURCDXVVEHJG-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368737 1256717389 /nfs/dbraw/zinc/71/73/89/1256717389.db2.gz LVGURCDXVVEHJG-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368737 1256717393 /nfs/dbraw/zinc/71/73/93/1256717393.db2.gz LVGURCDXVVEHJG-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368737 1256717396 /nfs/dbraw/zinc/71/73/96/1256717396.db2.gz LVGURCDXVVEHJG-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379399 1256730966 /nfs/dbraw/zinc/73/09/66/1256730966.db2.gz WBZUYTHGPLJASL-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379399 1256730969 /nfs/dbraw/zinc/73/09/69/1256730969.db2.gz WBZUYTHGPLJASL-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379399 1256730971 /nfs/dbraw/zinc/73/09/71/1256730971.db2.gz WBZUYTHGPLJASL-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2OC)C1 ZINC001082379399 1256730975 /nfs/dbraw/zinc/73/09/75/1256730975.db2.gz WBZUYTHGPLJASL-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382604 1256732929 /nfs/dbraw/zinc/73/29/29/1256732929.db2.gz LNARXRLBIRKCNN-IAOVAPTHSA-N 2 2 362.474 0.312 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382604 1256732935 /nfs/dbraw/zinc/73/29/35/1256732935.db2.gz LNARXRLBIRKCNN-IAOVAPTHSA-N 2 2 362.474 0.312 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001082549525 1256840831 /nfs/dbraw/zinc/84/08/31/1256840831.db2.gz HBVJCKCTCVZDCM-KBRIMQKVSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001082549525 1256840843 /nfs/dbraw/zinc/84/08/43/1256840843.db2.gz HBVJCKCTCVZDCM-KBRIMQKVSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082594562 1256907913 /nfs/dbraw/zinc/90/79/13/1256907913.db2.gz CBIXXNAGTUJWFO-MLGOLLRUSA-N 2 2 369.425 0.762 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001082603088 1256914066 /nfs/dbraw/zinc/91/40/66/1256914066.db2.gz ISSZUFQLNUOXHJ-IIAWOOMASA-N 2 2 357.462 0.694 20 0 FCADLP CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)C1=O ZINC001082608875 1256919013 /nfs/dbraw/zinc/91/90/13/1256919013.db2.gz DLUQCIJMQJZAOK-XNRPHZJLSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082648060 1256953438 /nfs/dbraw/zinc/95/34/38/1256953438.db2.gz WMYBRDYBAABSCQ-CZUORRHYSA-N 2 2 357.462 0.527 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082664013 1256966537 /nfs/dbraw/zinc/96/65/37/1256966537.db2.gz RTHSDKINBAHYLM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001082664013 1256966543 /nfs/dbraw/zinc/96/65/43/1256966543.db2.gz RTHSDKINBAHYLM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C)C1)CC2 ZINC001082708644 1257001194 /nfs/dbraw/zinc/00/11/94/1257001194.db2.gz FZKIWYHNTDPBNZ-IVMMDQJWSA-N 2 2 357.462 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cn(C)nn3)C1)C2 ZINC001082743040 1257023682 /nfs/dbraw/zinc/02/36/82/1257023682.db2.gz DDCOJPRBVGWLFK-SUYBPPKGSA-N 2 2 357.462 0.519 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082807331 1257065725 /nfs/dbraw/zinc/06/57/25/1257065725.db2.gz BADNEMTZNCVBMY-QLFBSQMISA-N 2 2 364.494 0.587 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082808099 1257066238 /nfs/dbraw/zinc/06/62/38/1257066238.db2.gz VIBIZKOQIQWUNI-HZPDHXFCSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001082807856 1257067655 /nfs/dbraw/zinc/06/76/55/1257067655.db2.gz GUNNJVYPUSRCQH-UKRRQHHQSA-N 2 2 362.478 0.341 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082823190 1257081663 /nfs/dbraw/zinc/08/16/63/1257081663.db2.gz QOAJEVVBFAPGFM-IUODEOHRSA-N 2 2 353.430 0.871 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001082860654 1257112179 /nfs/dbraw/zinc/11/21/79/1257112179.db2.gz DNBTWTUJHURROD-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082860797 1257112407 /nfs/dbraw/zinc/11/24/07/1257112407.db2.gz NYPMXEUFFSLDIR-NVXWUHKLSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001082892547 1257128766 /nfs/dbraw/zinc/12/87/66/1257128766.db2.gz GODJCSVNHHBUAC-HYVNUMGLSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082946618 1257162478 /nfs/dbraw/zinc/16/24/78/1257162478.db2.gz KSNYYSFXNKHWEA-KBRIMQKVSA-N 2 2 357.462 0.450 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082957483 1257168287 /nfs/dbraw/zinc/16/82/87/1257168287.db2.gz LHEXQZGTLDRARH-GDBMZVCRSA-N 2 2 366.429 0.496 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024312 1257213600 /nfs/dbraw/zinc/21/36/00/1257213600.db2.gz KCNAMQPBGINAPG-FGTMMUONSA-N 2 2 371.441 0.729 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024312 1257213606 /nfs/dbraw/zinc/21/36/06/1257213606.db2.gz KCNAMQPBGINAPG-FGTMMUONSA-N 2 2 371.441 0.729 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024312 1257213610 /nfs/dbraw/zinc/21/36/10/1257213610.db2.gz KCNAMQPBGINAPG-FGTMMUONSA-N 2 2 371.441 0.729 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024312 1257213612 /nfs/dbraw/zinc/21/36/12/1257213612.db2.gz KCNAMQPBGINAPG-FGTMMUONSA-N 2 2 371.441 0.729 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)o1 ZINC001083084016 1257284622 /nfs/dbraw/zinc/28/46/22/1257284622.db2.gz VZBOWBAMIPQLMQ-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)o1 ZINC001083084016 1257284626 /nfs/dbraw/zinc/28/46/26/1257284626.db2.gz VZBOWBAMIPQLMQ-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086617 1257287634 /nfs/dbraw/zinc/28/76/34/1257287634.db2.gz UXYRTUODVYZFOU-NRSFXHEJSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086617 1257287640 /nfs/dbraw/zinc/28/76/40/1257287640.db2.gz UXYRTUODVYZFOU-NRSFXHEJSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086617 1257287645 /nfs/dbraw/zinc/28/76/45/1257287645.db2.gz UXYRTUODVYZFOU-NRSFXHEJSA-N 2 2 361.490 0.480 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086617 1257287652 /nfs/dbraw/zinc/28/76/52/1257287652.db2.gz UXYRTUODVYZFOU-NRSFXHEJSA-N 2 2 361.490 0.480 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089510 1257290642 /nfs/dbraw/zinc/29/06/42/1257290642.db2.gz JBKMHFPSLNKBMM-BHYGNILZSA-N 2 2 362.474 0.708 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089510 1257290645 /nfs/dbraw/zinc/29/06/45/1257290645.db2.gz JBKMHFPSLNKBMM-BHYGNILZSA-N 2 2 362.474 0.708 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140136 1257389745 /nfs/dbraw/zinc/38/97/45/1257389745.db2.gz ODCUELBLYJRWOH-RRQGHBQHSA-N 2 2 357.414 0.173 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140136 1257389753 /nfs/dbraw/zinc/38/97/53/1257389753.db2.gz ODCUELBLYJRWOH-RRQGHBQHSA-N 2 2 357.414 0.173 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@@H]21 ZINC001083144181 1257399069 /nfs/dbraw/zinc/39/90/69/1257399069.db2.gz SSWSNEUFAUPMCU-DLBZAZTESA-N 2 2 359.430 0.908 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@@H]21 ZINC001083144181 1257399076 /nfs/dbraw/zinc/39/90/76/1257399076.db2.gz SSWSNEUFAUPMCU-DLBZAZTESA-N 2 2 359.430 0.908 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001083151914 1257406994 /nfs/dbraw/zinc/40/69/94/1257406994.db2.gz ZXCQJUXCLRFNRP-YESZJQIVSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]21 ZINC001083151914 1257407006 /nfs/dbraw/zinc/40/70/06/1257407006.db2.gz ZXCQJUXCLRFNRP-YESZJQIVSA-N 2 2 362.474 0.691 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083157817 1257415742 /nfs/dbraw/zinc/41/57/42/1257415742.db2.gz QXVGYRGPHUQXED-RBUKOAKNSA-N 2 2 370.453 0.877 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083157817 1257415747 /nfs/dbraw/zinc/41/57/47/1257415747.db2.gz QXVGYRGPHUQXED-RBUKOAKNSA-N 2 2 370.453 0.877 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083645161 1257462485 /nfs/dbraw/zinc/46/24/85/1257462485.db2.gz NOAMJSRJTTZERW-CVEARBPZSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083645161 1257462487 /nfs/dbraw/zinc/46/24/87/1257462487.db2.gz NOAMJSRJTTZERW-CVEARBPZSA-N 2 2 362.405 0.571 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)c1C ZINC001083645307 1257463540 /nfs/dbraw/zinc/46/35/40/1257463540.db2.gz VAURNQXNOAVMQK-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)c1C ZINC001083645307 1257463544 /nfs/dbraw/zinc/46/35/44/1257463544.db2.gz VAURNQXNOAVMQK-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)o1 ZINC001083645479 1257464210 /nfs/dbraw/zinc/46/42/10/1257464210.db2.gz CMUJCQKPNNZAFM-CABCVRRESA-N 2 2 361.446 0.802 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)o1 ZINC001083645479 1257464215 /nfs/dbraw/zinc/46/42/15/1257464215.db2.gz CMUJCQKPNNZAFM-CABCVRRESA-N 2 2 361.446 0.802 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780886 1257523274 /nfs/dbraw/zinc/52/32/74/1257523274.db2.gz NVZBWIPPDLPHKS-KYNGSXCRSA-N 2 2 359.470 0.720 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780886 1257523280 /nfs/dbraw/zinc/52/32/80/1257523280.db2.gz NVZBWIPPDLPHKS-KYNGSXCRSA-N 2 2 359.470 0.720 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780886 1257523282 /nfs/dbraw/zinc/52/32/82/1257523282.db2.gz NVZBWIPPDLPHKS-KYNGSXCRSA-N 2 2 359.470 0.720 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780886 1257523286 /nfs/dbraw/zinc/52/32/86/1257523286.db2.gz NVZBWIPPDLPHKS-KYNGSXCRSA-N 2 2 359.470 0.720 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781200 1257526212 /nfs/dbraw/zinc/52/62/12/1257526212.db2.gz XUEVZOJHEBZVCZ-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781200 1257526215 /nfs/dbraw/zinc/52/62/15/1257526215.db2.gz XUEVZOJHEBZVCZ-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781200 1257526220 /nfs/dbraw/zinc/52/62/20/1257526220.db2.gz XUEVZOJHEBZVCZ-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781200 1257526224 /nfs/dbraw/zinc/52/62/24/1257526224.db2.gz XUEVZOJHEBZVCZ-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833747 1257587279 /nfs/dbraw/zinc/58/72/79/1257587279.db2.gz STBRETQOUBSSBA-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833747 1257587280 /nfs/dbraw/zinc/58/72/80/1257587280.db2.gz STBRETQOUBSSBA-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895731 1257669515 /nfs/dbraw/zinc/66/95/15/1257669515.db2.gz CTMVCAFFZSAWTH-KSZLIROESA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895731 1257669519 /nfs/dbraw/zinc/66/95/19/1257669519.db2.gz CTMVCAFFZSAWTH-KSZLIROESA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895710 1257670042 /nfs/dbraw/zinc/67/00/42/1257670042.db2.gz CBPQPAXXMRYHOZ-KGLIPLIRSA-N 2 2 369.347 0.995 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083895710 1257670045 /nfs/dbraw/zinc/67/00/45/1257670045.db2.gz CBPQPAXXMRYHOZ-KGLIPLIRSA-N 2 2 369.347 0.995 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083939059 1257723964 /nfs/dbraw/zinc/72/39/64/1257723964.db2.gz VTNYLXMOHJFHGM-IKGGRYGDSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)C[C@@H]1O ZINC001083939059 1257723968 /nfs/dbraw/zinc/72/39/68/1257723968.db2.gz VTNYLXMOHJFHGM-IKGGRYGDSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001083939059 1257723972 /nfs/dbraw/zinc/72/39/72/1257723972.db2.gz VTNYLXMOHJFHGM-IKGGRYGDSA-N 2 2 364.494 0.094 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001083939059 1257723978 /nfs/dbraw/zinc/72/39/78/1257723978.db2.gz VTNYLXMOHJFHGM-IKGGRYGDSA-N 2 2 364.494 0.094 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083955027 1257744910 /nfs/dbraw/zinc/74/49/10/1257744910.db2.gz TYZXHNJRCVCTDH-SJORKVTESA-N 2 2 362.405 0.342 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083955027 1257744925 /nfs/dbraw/zinc/74/49/25/1257744925.db2.gz TYZXHNJRCVCTDH-SJORKVTESA-N 2 2 362.405 0.342 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001084059443 1257876198 /nfs/dbraw/zinc/87/61/98/1257876198.db2.gz IYBOCPGKFXOSEH-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001084059443 1257876207 /nfs/dbraw/zinc/87/62/07/1257876207.db2.gz IYBOCPGKFXOSEH-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087884 1257912027 /nfs/dbraw/zinc/91/20/27/1257912027.db2.gz FLTPYZFTRNHCOL-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087884 1257912031 /nfs/dbraw/zinc/91/20/31/1257912031.db2.gz FLTPYZFTRNHCOL-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087884 1257912034 /nfs/dbraw/zinc/91/20/34/1257912034.db2.gz FLTPYZFTRNHCOL-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087884 1257912041 /nfs/dbraw/zinc/91/20/41/1257912041.db2.gz FLTPYZFTRNHCOL-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC001331133823 1266154637 /nfs/dbraw/zinc/15/46/37/1266154637.db2.gz JXIFMMWLILJAKR-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP Cc1c(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]32)ccc2c[nH+]cn21 ZINC001084472762 1258123839 /nfs/dbraw/zinc/12/38/39/1258123839.db2.gz UXBXYVRDNCVEAE-RHSMWYFYSA-N 2 2 355.442 0.877 20 0 FCADLP Cc1c(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]32)ccc2c[nH+]cn21 ZINC001084472762 1258123840 /nfs/dbraw/zinc/12/38/40/1258123840.db2.gz UXBXYVRDNCVEAE-RHSMWYFYSA-N 2 2 355.442 0.877 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084561211 1258171105 /nfs/dbraw/zinc/17/11/05/1258171105.db2.gz YGSRMLWWDSHUBG-BPQIPLTHSA-N 2 2 371.485 0.959 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084561211 1258171109 /nfs/dbraw/zinc/17/11/09/1258171109.db2.gz YGSRMLWWDSHUBG-BPQIPLTHSA-N 2 2 371.485 0.959 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084779891 1258321906 /nfs/dbraw/zinc/32/19/06/1258321906.db2.gz FRZRMNLFGAXNDZ-UHOFOFEASA-N 2 2 371.441 0.099 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084779891 1258321915 /nfs/dbraw/zinc/32/19/15/1258321915.db2.gz FRZRMNLFGAXNDZ-UHOFOFEASA-N 2 2 371.441 0.099 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084779643 1258322535 /nfs/dbraw/zinc/32/25/35/1258322535.db2.gz SBUPQWVQFFTWPZ-XOKHGSTOSA-N 2 2 357.458 0.573 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084779643 1258322543 /nfs/dbraw/zinc/32/25/43/1258322543.db2.gz SBUPQWVQFFTWPZ-XOKHGSTOSA-N 2 2 357.458 0.573 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911516 1258434634 /nfs/dbraw/zinc/43/46/34/1258434634.db2.gz IZFSVOQGUWPCDH-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911516 1258434636 /nfs/dbraw/zinc/43/46/36/1258434636.db2.gz IZFSVOQGUWPCDH-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911516 1258434638 /nfs/dbraw/zinc/43/46/38/1258434638.db2.gz IZFSVOQGUWPCDH-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911516 1258434639 /nfs/dbraw/zinc/43/46/39/1258434639.db2.gz IZFSVOQGUWPCDH-NJAFHUGGSA-N 2 2 359.474 0.538 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941708 1258453757 /nfs/dbraw/zinc/45/37/57/1258453757.db2.gz YNEZXNMVIWLPPP-ZACQAIPSSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941708 1258453761 /nfs/dbraw/zinc/45/37/61/1258453761.db2.gz YNEZXNMVIWLPPP-ZACQAIPSSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]32)nn1 ZINC001084941520 1258454562 /nfs/dbraw/zinc/45/45/62/1258454562.db2.gz NOSSKXNRTXNIAM-NXHRZFHOSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]32)nn1 ZINC001084941520 1258454566 /nfs/dbraw/zinc/45/45/66/1258454566.db2.gz NOSSKXNRTXNIAM-NXHRZFHOSA-N 2 2 358.490 0.580 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001084990385 1258500957 /nfs/dbraw/zinc/50/09/57/1258500957.db2.gz VMTKPVLCYQGMSV-SJORKVTESA-N 2 2 359.474 0.737 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001084990385 1258500961 /nfs/dbraw/zinc/50/09/61/1258500961.db2.gz VMTKPVLCYQGMSV-SJORKVTESA-N 2 2 359.474 0.737 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001085016568 1258521528 /nfs/dbraw/zinc/52/15/28/1258521528.db2.gz XYQIRRMSZNOVLG-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001085016568 1258521534 /nfs/dbraw/zinc/52/15/34/1258521534.db2.gz XYQIRRMSZNOVLG-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001085016568 1258521539 /nfs/dbraw/zinc/52/15/39/1258521539.db2.gz XYQIRRMSZNOVLG-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N(C)C)[C@H]3C2)C1 ZINC001085016568 1258521544 /nfs/dbraw/zinc/52/15/44/1258521544.db2.gz XYQIRRMSZNOVLG-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033070 1258533728 /nfs/dbraw/zinc/53/37/28/1258533728.db2.gz PANNUUDHGJJCAC-INMHGKMJSA-N 2 2 359.474 0.423 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033070 1258533732 /nfs/dbraw/zinc/53/37/32/1258533732.db2.gz PANNUUDHGJJCAC-INMHGKMJSA-N 2 2 359.474 0.423 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093046 1258587975 /nfs/dbraw/zinc/58/79/75/1258587975.db2.gz BZRTUOVDLHJXFL-NUJGCVRESA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093046 1258587982 /nfs/dbraw/zinc/58/79/82/1258587982.db2.gz BZRTUOVDLHJXFL-NUJGCVRESA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085093046 1258587988 /nfs/dbraw/zinc/58/79/88/1258587988.db2.gz BZRTUOVDLHJXFL-NUJGCVRESA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085093046 1258587994 /nfs/dbraw/zinc/58/79/94/1258587994.db2.gz BZRTUOVDLHJXFL-NUJGCVRESA-N 2 2 360.506 0.981 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098146 1258590986 /nfs/dbraw/zinc/59/09/86/1258590986.db2.gz ALBALYQXPJUZDJ-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098146 1258590990 /nfs/dbraw/zinc/59/09/90/1258590990.db2.gz ALBALYQXPJUZDJ-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098146 1258590997 /nfs/dbraw/zinc/59/09/97/1258590997.db2.gz ALBALYQXPJUZDJ-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccn(C)n4)[C@H]3C2)C1 ZINC001085098146 1258590999 /nfs/dbraw/zinc/59/09/99/1258590999.db2.gz ALBALYQXPJUZDJ-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001085159141 1258612556 /nfs/dbraw/zinc/61/25/56/1258612556.db2.gz JFYUBQQHKQSESD-BZUAXINKSA-N 2 2 363.462 0.333 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001085159141 1258612559 /nfs/dbraw/zinc/61/25/59/1258612559.db2.gz JFYUBQQHKQSESD-BZUAXINKSA-N 2 2 363.462 0.333 20 0 FCADLP COCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424155 1258638575 /nfs/dbraw/zinc/63/85/75/1258638575.db2.gz LPWYTLZDILOIKG-QRVBRYPASA-N 2 2 361.486 0.938 20 0 FCADLP COCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424155 1258638582 /nfs/dbraw/zinc/63/85/82/1258638582.db2.gz LPWYTLZDILOIKG-QRVBRYPASA-N 2 2 361.486 0.938 20 0 FCADLP COCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001087424155 1258638590 /nfs/dbraw/zinc/63/85/90/1258638590.db2.gz LPWYTLZDILOIKG-QRVBRYPASA-N 2 2 361.486 0.938 20 0 FCADLP COCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001087424155 1258638596 /nfs/dbraw/zinc/63/85/96/1258638596.db2.gz LPWYTLZDILOIKG-QRVBRYPASA-N 2 2 361.486 0.938 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088183849 1258704065 /nfs/dbraw/zinc/70/40/65/1258704065.db2.gz ZMOJWVMUWYXKKB-PMPSAXMXSA-N 2 2 369.473 0.820 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088183849 1258704070 /nfs/dbraw/zinc/70/40/70/1258704070.db2.gz ZMOJWVMUWYXKKB-PMPSAXMXSA-N 2 2 369.473 0.820 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187225 1258707779 /nfs/dbraw/zinc/70/77/79/1258707779.db2.gz MZLQYAWHENIZPT-CVEARBPZSA-N 2 2 371.489 0.945 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187225 1258707781 /nfs/dbraw/zinc/70/77/81/1258707781.db2.gz MZLQYAWHENIZPT-CVEARBPZSA-N 2 2 371.489 0.945 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199855 1258722080 /nfs/dbraw/zinc/72/20/80/1258722080.db2.gz FRHGVMFVJZIZCA-KFWWJZLASA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199855 1258722084 /nfs/dbraw/zinc/72/20/84/1258722084.db2.gz FRHGVMFVJZIZCA-KFWWJZLASA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199855 1258722086 /nfs/dbraw/zinc/72/20/86/1258722086.db2.gz FRHGVMFVJZIZCA-KFWWJZLASA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199855 1258722091 /nfs/dbraw/zinc/72/20/91/1258722091.db2.gz FRHGVMFVJZIZCA-KFWWJZLASA-N 2 2 362.478 0.368 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200999 1258722408 /nfs/dbraw/zinc/72/24/08/1258722408.db2.gz GEEZHBNDMIJESB-CVEARBPZSA-N 2 2 361.494 0.630 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200999 1258722411 /nfs/dbraw/zinc/72/24/11/1258722411.db2.gz GEEZHBNDMIJESB-CVEARBPZSA-N 2 2 361.494 0.630 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421280 1258759286 /nfs/dbraw/zinc/75/92/86/1258759286.db2.gz RXCZLDOOSMVYDY-IIAWOOMASA-N 2 2 365.478 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421280 1258759290 /nfs/dbraw/zinc/75/92/90/1258759290.db2.gz RXCZLDOOSMVYDY-IIAWOOMASA-N 2 2 365.478 0.896 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421280 1258759294 /nfs/dbraw/zinc/75/92/94/1258759294.db2.gz RXCZLDOOSMVYDY-IIAWOOMASA-N 2 2 365.478 0.896 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC(C)(C)C2)O1 ZINC001089421280 1258759300 /nfs/dbraw/zinc/75/93/00/1258759300.db2.gz RXCZLDOOSMVYDY-IIAWOOMASA-N 2 2 365.478 0.896 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829026 1258858267 /nfs/dbraw/zinc/85/82/67/1258858267.db2.gz ZTLPZPFPUNNEMM-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092829026 1258858273 /nfs/dbraw/zinc/85/82/73/1258858273.db2.gz ZTLPZPFPUNNEMM-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP Cc1nc(N(C)CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c2c([nH+]1)CCCC2 ZINC001100407283 1258909763 /nfs/dbraw/zinc/90/97/63/1258909763.db2.gz KTVRLLBZYLLZSV-CXAGYDPISA-N 2 2 361.490 0.935 20 0 FCADLP Cc1nc(N(C)CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c2c([nH+]1)CCCC2 ZINC001100407283 1258909771 /nfs/dbraw/zinc/90/97/71/1258909771.db2.gz KTVRLLBZYLLZSV-CXAGYDPISA-N 2 2 361.490 0.935 20 0 FCADLP O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC1CCC1 ZINC001100418976 1258911073 /nfs/dbraw/zinc/91/10/73/1258911073.db2.gz KOHWOKAWKVHSIU-QDIHITRGSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCC1CCC1 ZINC001100418976 1258911081 /nfs/dbraw/zinc/91/10/81/1258911081.db2.gz KOHWOKAWKVHSIU-QDIHITRGSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104364012 1258915329 /nfs/dbraw/zinc/91/53/29/1258915329.db2.gz SNDJSIJUFRGKAQ-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106656395 1258934326 /nfs/dbraw/zinc/93/43/26/1258934326.db2.gz UOGKDSJZDBRNJD-KFWWJZLASA-N 2 2 359.474 0.746 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106677660 1258939266 /nfs/dbraw/zinc/93/92/66/1258939266.db2.gz BJAVXNUUYSZWAK-KLHDSHLOSA-N 2 2 361.490 0.734 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001106705160 1258943374 /nfs/dbraw/zinc/94/33/74/1258943374.db2.gz URFLVNUQZZBGNQ-MGPQQGTHSA-N 2 2 371.445 0.454 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCc1cccnc1 ZINC001106705037 1258943392 /nfs/dbraw/zinc/94/33/92/1258943392.db2.gz OOIFCKMSNHADOJ-GDBMZVCRSA-N 2 2 370.457 0.348 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(N)=O ZINC001106869425 1258982266 /nfs/dbraw/zinc/98/22/66/1258982266.db2.gz DOQXVGWEEWTTLT-HZSPNIEDSA-N 2 2 356.430 0.439 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877121 1258985229 /nfs/dbraw/zinc/98/52/29/1258985229.db2.gz NIHUYXCHUCFOPY-BZUAXINKSA-N 2 2 363.506 0.902 20 0 FCADLP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106938105 1258999903 /nfs/dbraw/zinc/99/99/03/1258999903.db2.gz NPHDFWLGVNBTBH-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001107078010 1259027867 /nfs/dbraw/zinc/02/78/67/1259027867.db2.gz XWQVVGSWLQTIEX-IAGOWNOFSA-N 2 2 361.490 0.826 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107620489 1259135179 /nfs/dbraw/zinc/13/51/79/1259135179.db2.gz QNDGMGSKUUVSDX-VQIMIIECSA-N 2 2 359.474 0.854 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107620489 1259135183 /nfs/dbraw/zinc/13/51/83/1259135183.db2.gz QNDGMGSKUUVSDX-VQIMIIECSA-N 2 2 359.474 0.854 20 0 FCADLP CCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108553676 1259158201 /nfs/dbraw/zinc/15/82/01/1259158201.db2.gz SPTKSPYPKNWLJH-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP CCCCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108553676 1259158206 /nfs/dbraw/zinc/15/82/06/1259158206.db2.gz SPTKSPYPKNWLJH-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527853 1259163554 /nfs/dbraw/zinc/16/35/54/1259163554.db2.gz ZRVGZMUSHJISIY-NJSLBKSFSA-N 2 2 359.474 0.794 20 0 FCADLP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547715 1259179084 /nfs/dbraw/zinc/17/90/84/1259179084.db2.gz RRHVDUZNZHAVTR-GDBMZVCRSA-N 2 2 371.489 0.980 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961847 1259274105 /nfs/dbraw/zinc/27/41/05/1259274105.db2.gz JGDCRZQVRCYMRK-KFWWJZLASA-N 2 2 361.450 0.137 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961847 1259274110 /nfs/dbraw/zinc/27/41/10/1259274110.db2.gz JGDCRZQVRCYMRK-KFWWJZLASA-N 2 2 361.450 0.137 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129004581 1259288592 /nfs/dbraw/zinc/28/85/92/1259288592.db2.gz UPBAZUZNHXMFPV-ZNMIVQPWSA-N 2 2 361.450 0.022 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129004581 1259288596 /nfs/dbraw/zinc/28/85/96/1259288596.db2.gz UPBAZUZNHXMFPV-ZNMIVQPWSA-N 2 2 361.450 0.022 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CCC1 ZINC001129043675 1259297725 /nfs/dbraw/zinc/29/77/25/1259297725.db2.gz ULSNADROHFORQZ-SJORKVTESA-N 2 2 369.473 0.699 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CCC1 ZINC001129043675 1259297727 /nfs/dbraw/zinc/29/77/27/1259297727.db2.gz ULSNADROHFORQZ-SJORKVTESA-N 2 2 369.473 0.699 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064987 1259303006 /nfs/dbraw/zinc/30/30/06/1259303006.db2.gz POGYBLNWKHWXQY-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064987 1259303011 /nfs/dbraw/zinc/30/30/11/1259303011.db2.gz POGYBLNWKHWXQY-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680469 1259427240 /nfs/dbraw/zinc/42/72/40/1259427240.db2.gz YIRJKJYNCSIWFY-DLBZAZTESA-N 2 2 355.442 0.625 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC001212315003 1259463040 /nfs/dbraw/zinc/46/30/40/1259463040.db2.gz OZOURTPOXZLRMJ-CQSZACIVSA-N 2 2 354.418 0.740 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212353508 1259470664 /nfs/dbraw/zinc/47/06/64/1259470664.db2.gz TWMISQUVBVEMDK-BRWVUGGUSA-N 2 2 369.485 0.724 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212353508 1259470667 /nfs/dbraw/zinc/47/06/67/1259470667.db2.gz TWMISQUVBVEMDK-BRWVUGGUSA-N 2 2 369.485 0.724 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212384991 1259483171 /nfs/dbraw/zinc/48/31/71/1259483171.db2.gz CRBCCYAPSGVAIC-BRWVUGGUSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212384991 1259483175 /nfs/dbraw/zinc/48/31/75/1259483175.db2.gz CRBCCYAPSGVAIC-BRWVUGGUSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406572 1259494075 /nfs/dbraw/zinc/49/40/75/1259494075.db2.gz ZASHOOFCBSRDCD-GUDVDZBRSA-N 2 2 371.485 0.829 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406572 1259494079 /nfs/dbraw/zinc/49/40/79/1259494079.db2.gz ZASHOOFCBSRDCD-GUDVDZBRSA-N 2 2 371.485 0.829 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)n1 ZINC001212436642 1259505351 /nfs/dbraw/zinc/50/53/51/1259505351.db2.gz AWFXQVPVXQRCNM-NUJGCVRESA-N 2 2 364.490 0.992 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C2)n1 ZINC001212436642 1259505357 /nfs/dbraw/zinc/50/53/57/1259505357.db2.gz AWFXQVPVXQRCNM-NUJGCVRESA-N 2 2 364.490 0.992 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1cccc(-c2cncnc2)c1 ZINC001236309504 1259588843 /nfs/dbraw/zinc/58/88/43/1259588843.db2.gz PHYGDNNFTDZMAM-UHFFFAOYSA-N 3 2 356.474 0.759 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1cccc(-c2cncnc2)c1 ZINC001236309504 1259588848 /nfs/dbraw/zinc/58/88/48/1259588848.db2.gz PHYGDNNFTDZMAM-UHFFFAOYSA-N 3 2 356.474 0.759 20 0 FCADLP O=C(C[NH2+]C[C@@H](O)Cn1cccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001335365975 1259628071 /nfs/dbraw/zinc/62/80/71/1259628071.db2.gz CEXNGYUINJSYNP-GOSISDBHSA-N 2 2 357.458 0.178 20 0 FCADLP C[NH+]1CCN(c2cc(-c3cnn(CC[NH+]4CCOCC4)c3)ncn2)CC1 ZINC001240538912 1259628582 /nfs/dbraw/zinc/62/85/82/1259628582.db2.gz AIMORCBVUCMMOM-UHFFFAOYSA-N 2 2 357.462 0.424 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001335393400 1259641570 /nfs/dbraw/zinc/64/15/70/1259641570.db2.gz SKNUKTCGJBZYFU-JKSUJKDBSA-N 2 2 361.490 0.658 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001246069585 1259644837 /nfs/dbraw/zinc/64/48/37/1259644837.db2.gz KSJYHSPATGSPKA-GBESFXJTSA-N 3 2 368.472 0.693 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC001246054536 1259645629 /nfs/dbraw/zinc/64/56/29/1259645629.db2.gz HILJWVUQHXVPQG-RBUKOAKNSA-N 3 2 368.472 0.565 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C[C@@H](O)CCOCc1ccccc1 ZINC001246049790 1259646703 /nfs/dbraw/zinc/64/67/03/1259646703.db2.gz BODOXNSBVNFKLQ-SFHVURJKSA-N 3 2 366.506 0.070 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C[C@@H](O)CCOCc1ccccc1 ZINC001246049790 1259646712 /nfs/dbraw/zinc/64/67/12/1259646712.db2.gz BODOXNSBVNFKLQ-SFHVURJKSA-N 3 2 366.506 0.070 20 0 FCADLP c1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001246077258 1259647491 /nfs/dbraw/zinc/64/74/91/1259647491.db2.gz RRUQUCFALBXQTA-GOSISDBHSA-N 3 2 360.502 0.581 20 0 FCADLP c1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001246077259 1259648468 /nfs/dbraw/zinc/64/84/68/1259648468.db2.gz RRUQUCFALBXQTA-SFHVURJKSA-N 3 2 360.502 0.581 20 0 FCADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CN[C@H](C(=O)OC)C3)cc2)CC1 ZINC001246237977 1259651421 /nfs/dbraw/zinc/65/14/21/1259651421.db2.gz USNMPMNSZPXZNI-MOPGFXCFSA-N 2 2 360.502 0.817 20 0 FCADLP [NH3+]C1(C(=O)NCc2ccccc2)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246380447 1259651949 /nfs/dbraw/zinc/65/19/49/1259651949.db2.gz VRCYLYYLHZJUTQ-KRWDZBQOSA-N 3 2 357.502 0.190 20 0 FCADLP O=C1NCC[C@]12C[N@@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631937 1259658262 /nfs/dbraw/zinc/65/82/62/1259658262.db2.gz YBADMZLZZGRRCO-UEXGIBASSA-N 3 2 354.498 0.761 20 0 FCADLP O=C1NCC[C@]12C[N@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631937 1259658273 /nfs/dbraw/zinc/65/82/73/1259658273.db2.gz YBADMZLZZGRRCO-UEXGIBASSA-N 3 2 354.498 0.761 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452945 1259667966 /nfs/dbraw/zinc/66/79/66/1259667966.db2.gz RDNPMEAZZFBAQO-SQNIBIBYSA-N 3 2 354.539 0.608 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452945 1259667973 /nfs/dbraw/zinc/66/79/73/1259667973.db2.gz RDNPMEAZZFBAQO-SQNIBIBYSA-N 3 2 354.539 0.608 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(c2ccccn2)[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246742135 1259674119 /nfs/dbraw/zinc/67/41/19/1259674119.db2.gz ZNKDUFXNSMMFRI-PMPSAXMXSA-N 2 2 360.458 0.703 20 0 FCADLP Fc1ccc(Cc2nnc3n2CC[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246834475 1259690068 /nfs/dbraw/zinc/69/00/68/1259690068.db2.gz VGVIBDACPHTZIG-INIZCTEOSA-N 2 2 356.449 0.918 20 0 FCADLP Fc1ccc(Cc2nnc3n2CC[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001246834475 1259690074 /nfs/dbraw/zinc/69/00/74/1259690074.db2.gz VGVIBDACPHTZIG-INIZCTEOSA-N 2 2 356.449 0.918 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246814374 1259691613 /nfs/dbraw/zinc/69/16/13/1259691613.db2.gz YOHDRFXVPAMPJR-AKHDSKFASA-N 2 2 374.485 0.508 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246814374 1259691621 /nfs/dbraw/zinc/69/16/21/1259691621.db2.gz YOHDRFXVPAMPJR-AKHDSKFASA-N 2 2 374.485 0.508 20 0 FCADLP C[NH+]1CCN(c2cccc(-c3noc([C@@H]([NH3+])CCc4nn[nH]n4)n3)c2)CC1 ZINC001247283570 1259700086 /nfs/dbraw/zinc/70/00/86/1259700086.db2.gz HIIBKMVQPVUXJW-AWEZNQCLSA-N 2 2 369.433 0.634 20 0 FCADLP COc1cc(F)cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247335383 1259701182 /nfs/dbraw/zinc/70/11/82/1259701182.db2.gz XVQLRVKVBIEPNU-ZDUSSCGKSA-N 2 2 360.349 0.794 20 0 FCADLP COCOc1ccccc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247334347 1259701335 /nfs/dbraw/zinc/70/13/35/1259701335.db2.gz QUYMRMMNQPBBKM-ZDUSSCGKSA-N 2 2 372.385 0.629 20 0 FCADLP C[NH+]1CCN(c2cccc(-c3noc([C@@H]([NH3+])CCCNC(N)=O)n3)c2)CC1 ZINC001247637637 1259704679 /nfs/dbraw/zinc/70/46/79/1259704679.db2.gz AWXDZVCBVQQVGN-HNNXBMFYSA-N 2 2 373.461 0.937 20 0 FCADLP CCOC(=O)c1ccc2[nH+]ccc(NC[C@@H](O)C[NH+]3CCOCC3)c2c1 ZINC001251006246 1259727012 /nfs/dbraw/zinc/72/70/12/1259727012.db2.gz JZUGISZEIWSJHC-OAHLLOKOSA-N 2 2 359.426 0.938 20 0 FCADLP C[NH+]1CCN(C2C[NH+](C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001251308132 1259743440 /nfs/dbraw/zinc/74/34/40/1259743440.db2.gz ITQSWSIFZHLJME-IBGZPJMESA-N 2 2 368.522 0.680 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001335711448 1259799213 /nfs/dbraw/zinc/79/92/13/1259799213.db2.gz ACXBTYBJVLMTHS-CQSZACIVSA-N 2 2 372.477 0.727 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC001253187176 1259829504 /nfs/dbraw/zinc/82/95/04/1259829504.db2.gz WLKXRVNCEADVRU-SJORKVTESA-N 2 2 363.506 0.561 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001253390771 1259838720 /nfs/dbraw/zinc/83/87/20/1259838720.db2.gz WNHIRYXKHBCRKA-QMTMVMCOSA-N 2 2 371.522 0.897 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001253390771 1259838727 /nfs/dbraw/zinc/83/87/27/1259838727.db2.gz WNHIRYXKHBCRKA-QMTMVMCOSA-N 2 2 371.522 0.897 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790560 1259841387 /nfs/dbraw/zinc/84/13/87/1259841387.db2.gz KKBXPWBURGMCBK-QGZVFWFLSA-N 2 2 362.478 0.398 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001335790560 1259841389 /nfs/dbraw/zinc/84/13/89/1259841389.db2.gz KKBXPWBURGMCBK-QGZVFWFLSA-N 2 2 362.478 0.398 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001335828969 1259859887 /nfs/dbraw/zinc/85/98/87/1259859887.db2.gz AIJRXFFEPYWKED-HUUCEWRRSA-N 2 2 364.498 0.051 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001335828969 1259859893 /nfs/dbraw/zinc/85/98/93/1259859893.db2.gz AIJRXFFEPYWKED-HUUCEWRRSA-N 2 2 364.498 0.051 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001335828965 1259860372 /nfs/dbraw/zinc/86/03/72/1259860372.db2.gz AIJRXFFEPYWKED-CABCVRRESA-N 2 2 364.498 0.051 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001335828965 1259860380 /nfs/dbraw/zinc/86/03/80/1259860380.db2.gz AIJRXFFEPYWKED-CABCVRRESA-N 2 2 364.498 0.051 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H]1CCC[N@H+](C)C1)CC2 ZINC001255484687 1259915487 /nfs/dbraw/zinc/91/54/87/1259915487.db2.gz BZJOBUYCMNALDL-HNNXBMFYSA-N 2 2 371.489 0.499 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H]1CCC[N@@H+](C)C1)CC2 ZINC001255484687 1259915495 /nfs/dbraw/zinc/91/54/95/1259915495.db2.gz BZJOBUYCMNALDL-HNNXBMFYSA-N 2 2 371.489 0.499 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001256076001 1259934056 /nfs/dbraw/zinc/93/40/56/1259934056.db2.gz FNCQTCUPICDCIK-KBAYOESNSA-N 2 2 357.458 0.532 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001256076001 1259934061 /nfs/dbraw/zinc/93/40/61/1259934061.db2.gz FNCQTCUPICDCIK-KBAYOESNSA-N 2 2 357.458 0.532 20 0 FCADLP C[C@@H]1CC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@@H](C)O1 ZINC001257086238 1259995620 /nfs/dbraw/zinc/99/56/20/1259995620.db2.gz GDBLAACAVBZXOQ-MPTQWLOMSA-N 2 2 363.462 0.358 20 0 FCADLP C[C@@H](Cc1ccco1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001258185861 1260039117 /nfs/dbraw/zinc/03/91/17/1260039117.db2.gz SFLCOYSNZXLBMU-RCBQFDQVSA-N 2 2 359.430 0.626 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336778967 1260221658 /nfs/dbraw/zinc/22/16/58/1260221658.db2.gz FRISFYMXDQXHDT-BZUAXINKSA-N 2 2 367.490 0.667 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336778967 1260221664 /nfs/dbraw/zinc/22/16/64/1260221664.db2.gz FRISFYMXDQXHDT-BZUAXINKSA-N 2 2 367.490 0.667 20 0 FCADLP C[C@H]1COCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001262220453 1260281397 /nfs/dbraw/zinc/28/13/97/1260281397.db2.gz ORMRCXZVNHQQKU-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc[nH+]1 ZINC001262360280 1260306974 /nfs/dbraw/zinc/30/69/74/1260306974.db2.gz BXCNPNIWTZIEIG-CABCVRRESA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc[nH+]1 ZINC001262360280 1260306980 /nfs/dbraw/zinc/30/69/80/1260306980.db2.gz BXCNPNIWTZIEIG-CABCVRRESA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]cn1 ZINC001262360280 1260306986 /nfs/dbraw/zinc/30/69/86/1260306986.db2.gz BXCNPNIWTZIEIG-CABCVRRESA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]cn1 ZINC001262360280 1260306994 /nfs/dbraw/zinc/30/69/94/1260306994.db2.gz BXCNPNIWTZIEIG-CABCVRRESA-N 2 2 362.478 0.402 20 0 FCADLP Cc1nnc([C@@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001265259070 1260410308 /nfs/dbraw/zinc/41/03/08/1260410308.db2.gz XMXDQWUCQVEKTF-IIAWOOMASA-N 2 2 364.494 0.513 20 0 FCADLP Cc1nnc([C@@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001265259070 1260410312 /nfs/dbraw/zinc/41/03/12/1260410312.db2.gz XMXDQWUCQVEKTF-IIAWOOMASA-N 2 2 364.494 0.513 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)cc2)CC1 ZINC001337602011 1260437720 /nfs/dbraw/zinc/43/77/20/1260437720.db2.gz RAWMBCKSJAXIEH-SFHVURJKSA-N 2 2 373.501 0.583 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)cc2)CC1 ZINC001337602011 1260437724 /nfs/dbraw/zinc/43/77/24/1260437724.db2.gz RAWMBCKSJAXIEH-SFHVURJKSA-N 2 2 373.501 0.583 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](CCn1ccnc1)CCO2 ZINC001272825032 1260512709 /nfs/dbraw/zinc/51/27/09/1260512709.db2.gz KGDAPUPRYQZXDG-HKUYNNGSSA-N 2 2 361.490 0.671 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](CCn1ccnc1)CCO2 ZINC001272825032 1260512715 /nfs/dbraw/zinc/51/27/15/1260512715.db2.gz KGDAPUPRYQZXDG-HKUYNNGSSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](CCn1ccnc1)CCO2 ZINC001272825032 1260512721 /nfs/dbraw/zinc/51/27/21/1260512721.db2.gz KGDAPUPRYQZXDG-HKUYNNGSSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](CCn1ccnc1)CCO2 ZINC001272825032 1260512725 /nfs/dbraw/zinc/51/27/25/1260512725.db2.gz KGDAPUPRYQZXDG-HKUYNNGSSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(=O)[nH]4)C[C@H]32)CC1 ZINC001272868352 1260521194 /nfs/dbraw/zinc/52/11/94/1260521194.db2.gz PXFIGJJFDNOPCG-DOTOQJQBSA-N 2 2 359.474 0.067 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)C1([NH+](C)C)CC1 ZINC001272909684 1260527453 /nfs/dbraw/zinc/52/74/53/1260527453.db2.gz WBUUYGLQHNORKA-SFHVURJKSA-N 2 2 359.474 0.998 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)CC1 ZINC001272971312 1260543652 /nfs/dbraw/zinc/54/36/52/1260543652.db2.gz PJVLSIRNJWMSCG-MRXNPFEDSA-N 2 2 359.474 0.791 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211402 1260625450 /nfs/dbraw/zinc/62/54/50/1260625450.db2.gz XPQPACAHKMEEMP-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211402 1260625458 /nfs/dbraw/zinc/62/54/58/1260625458.db2.gz XPQPACAHKMEEMP-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273211402 1260625466 /nfs/dbraw/zinc/62/54/66/1260625466.db2.gz XPQPACAHKMEEMP-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273211402 1260625475 /nfs/dbraw/zinc/62/54/75/1260625475.db2.gz XPQPACAHKMEEMP-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254864 1260637263 /nfs/dbraw/zinc/63/72/63/1260637263.db2.gz NBUMKWJGUZSHKP-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254864 1260637272 /nfs/dbraw/zinc/63/72/72/1260637272.db2.gz NBUMKWJGUZSHKP-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP C[NH+]1CCC[C@H](CC(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254864 1260637282 /nfs/dbraw/zinc/63/72/82/1260637282.db2.gz NBUMKWJGUZSHKP-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP C[NH+]1CCC[C@H](CC(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254864 1260637290 /nfs/dbraw/zinc/63/72/90/1260637290.db2.gz NBUMKWJGUZSHKP-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732481 1260664764 /nfs/dbraw/zinc/66/47/64/1260664764.db2.gz DFOKKPCIWFOIGL-KPZWWZAWSA-N 2 2 362.430 0.868 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732481 1260664774 /nfs/dbraw/zinc/66/47/74/1260664774.db2.gz DFOKKPCIWFOIGL-KPZWWZAWSA-N 2 2 362.430 0.868 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc(O)c1OC ZINC001278749926 1260724812 /nfs/dbraw/zinc/72/48/12/1260724812.db2.gz RSBFKZBGDVZTEO-YJBOKZPZSA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc(O)c1OC ZINC001278749926 1260724818 /nfs/dbraw/zinc/72/48/18/1260724818.db2.gz RSBFKZBGDVZTEO-YJBOKZPZSA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001279313321 1260835887 /nfs/dbraw/zinc/83/58/87/1260835887.db2.gz LBZMTCNTACJLFZ-IYBDPMFKSA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001279313321 1260835893 /nfs/dbraw/zinc/83/58/93/1260835893.db2.gz LBZMTCNTACJLFZ-IYBDPMFKSA-N 2 2 365.474 0.856 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@@H]3CCCO3)C2)N1 ZINC001279467093 1260875123 /nfs/dbraw/zinc/87/51/23/1260875123.db2.gz HOVFDYSMXNUHGY-HKUYNNGSSA-N 2 2 361.490 0.719 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@@H]3CCCO3)C2)N1 ZINC001279467093 1260875129 /nfs/dbraw/zinc/87/51/29/1260875129.db2.gz HOVFDYSMXNUHGY-HKUYNNGSSA-N 2 2 361.490 0.719 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(CN(C(=O)C4=CNN5C=CNC=C45)C3)C2)C1 ZINC001279501506 1260881227 /nfs/dbraw/zinc/88/12/27/1260881227.db2.gz HIOCTZYEPUXPOS-OAHLLOKOSA-N 2 2 356.474 0.092 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC3(CN(C(=O)C4=CNN5C=CNC=C45)C3)C2)C1 ZINC001279501506 1260881230 /nfs/dbraw/zinc/88/12/30/1260881230.db2.gz HIOCTZYEPUXPOS-OAHLLOKOSA-N 2 2 356.474 0.092 20 0 FCADLP Cc1nc(C)c(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)[nH]1 ZINC001279546731 1260889610 /nfs/dbraw/zinc/88/96/10/1260889610.db2.gz YRRIZDIRMJYJDX-LJQANCHMSA-N 2 2 362.522 0.745 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)[nH]1 ZINC001279546731 1260889617 /nfs/dbraw/zinc/88/96/17/1260889617.db2.gz YRRIZDIRMJYJDX-LJQANCHMSA-N 2 2 362.522 0.745 20 0 FCADLP Cc1nc(C)c(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)[nH]1 ZINC001279546730 1260889636 /nfs/dbraw/zinc/88/96/36/1260889636.db2.gz YRRIZDIRMJYJDX-IBGZPJMESA-N 2 2 362.522 0.745 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)[nH]1 ZINC001279546730 1260889643 /nfs/dbraw/zinc/88/96/43/1260889643.db2.gz YRRIZDIRMJYJDX-IBGZPJMESA-N 2 2 362.522 0.745 20 0 FCADLP Cn1c(C(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2c[nH+]ccc2N)C3)cccc1=O ZINC001279616442 1260900134 /nfs/dbraw/zinc/90/01/34/1260900134.db2.gz JTRAYWXWYQAEJD-ZFWWWQNUSA-N 2 2 353.426 0.539 20 0 FCADLP Cn1c(C(=O)N2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c[nH+]ccc2N)C3)cccc1=O ZINC001279616442 1260900142 /nfs/dbraw/zinc/90/01/42/1260900142.db2.gz JTRAYWXWYQAEJD-ZFWWWQNUSA-N 2 2 353.426 0.539 20 0 FCADLP CCOC(=O)c1cccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)n1 ZINC001279645178 1260907506 /nfs/dbraw/zinc/90/75/06/1260907506.db2.gz ACRAMNSKNNWJFQ-ROUUACIJSA-N 2 2 362.474 0.705 20 0 FCADLP CCOC(=O)c1cccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)n1 ZINC001279645178 1260907511 /nfs/dbraw/zinc/90/75/11/1260907511.db2.gz ACRAMNSKNNWJFQ-ROUUACIJSA-N 2 2 362.474 0.705 20 0 FCADLP COCC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccnn3C)CC2)CC1 ZINC001279720420 1260921418 /nfs/dbraw/zinc/92/14/18/1260921418.db2.gz BGIFLKUEEPXIIN-UHFFFAOYSA-N 2 2 363.506 0.859 20 0 FCADLP COCC[N@@H+]1CCc2[nH]nc(C(=O)Nc3cnn(CC[NH+](C)C)c3)c2C1 ZINC001279721397 1260921681 /nfs/dbraw/zinc/92/16/81/1260921681.db2.gz SAFNBEGYXLBYON-UHFFFAOYSA-N 2 2 361.450 0.425 20 0 FCADLP COCC[N@H+]1CCc2[nH]nc(C(=O)Nc3cnn(CC[NH+](C)C)c3)c2C1 ZINC001279721397 1260921684 /nfs/dbraw/zinc/92/16/84/1260921684.db2.gz SAFNBEGYXLBYON-UHFFFAOYSA-N 2 2 361.450 0.425 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H]3CN(C(=O)C4=CNN5C=CNC=C45)C[C@H]32)CC1 ZINC001280070851 1260989061 /nfs/dbraw/zinc/98/90/61/1260989061.db2.gz ZWAFJJWKWLPMOP-KBXCAEBGSA-N 2 2 356.474 0.233 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H]3CN(C(=O)C4=CNN5C=CNC=C45)C[C@H]32)CC1 ZINC001280070851 1260989063 /nfs/dbraw/zinc/98/90/63/1260989063.db2.gz ZWAFJJWKWLPMOP-KBXCAEBGSA-N 2 2 356.474 0.233 20 0 FCADLP CCOC(=O)CC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280091536 1260999248 /nfs/dbraw/zinc/99/92/48/1260999248.db2.gz UGMPCBQTFNKTMZ-KBXCAEBGSA-N 2 2 363.462 0.801 20 0 FCADLP CCOC(=O)CC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280091536 1260999250 /nfs/dbraw/zinc/99/92/50/1260999250.db2.gz UGMPCBQTFNKTMZ-KBXCAEBGSA-N 2 2 363.462 0.801 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001332329019 1266378100 /nfs/dbraw/zinc/37/81/00/1266378100.db2.gz YYQGJOITFQWDPD-JYJNAYRXSA-N 2 2 361.490 0.835 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCn3nccc3C[N@@H+]2CC2(C)COC2)CC1 ZINC001280180267 1261022669 /nfs/dbraw/zinc/02/26/69/1261022669.db2.gz HHKVKCMXGLAULV-QGZVFWFLSA-N 2 2 361.490 0.704 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCn3nccc3C[N@H+]2CC2(C)COC2)CC1 ZINC001280180267 1261022674 /nfs/dbraw/zinc/02/26/74/1261022674.db2.gz HHKVKCMXGLAULV-QGZVFWFLSA-N 2 2 361.490 0.704 20 0 FCADLP CC(C)(CO)C[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280187042 1261024452 /nfs/dbraw/zinc/02/44/52/1261024452.db2.gz BLKTXDVGIUQFEC-IBGZPJMESA-N 2 2 363.506 0.558 20 0 FCADLP CC(C)(CO)C[N@H+]1CCN(CCn2cc[nH+]c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280187042 1261024457 /nfs/dbraw/zinc/02/44/57/1261024457.db2.gz BLKTXDVGIUQFEC-IBGZPJMESA-N 2 2 363.506 0.558 20 0 FCADLP C[NH+](C)CC1(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NCCn2ccnn2)CCCC1 ZINC001280237614 1261041341 /nfs/dbraw/zinc/04/13/41/1261041341.db2.gz QEIXJHLLYXVJDL-QFBILLFUSA-N 2 2 360.506 0.981 20 0 FCADLP C[NH+](C)CC1(C[N@H+]2CC[C@H]3C[C@]32C(=O)NCCn2ccnn2)CCCC1 ZINC001280237614 1261041343 /nfs/dbraw/zinc/04/13/43/1261041343.db2.gz QEIXJHLLYXVJDL-QFBILLFUSA-N 2 2 360.506 0.981 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001281631933 1261129777 /nfs/dbraw/zinc/12/97/77/1261129777.db2.gz NSORFBZYQZTSLB-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001281631933 1261129778 /nfs/dbraw/zinc/12/97/78/1261129778.db2.gz NSORFBZYQZTSLB-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281851494 1261234838 /nfs/dbraw/zinc/23/48/38/1261234838.db2.gz ADNAWURYBTXCJG-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1OC)[NH+](C)C ZINC001281861183 1261240759 /nfs/dbraw/zinc/24/07/59/1261240759.db2.gz CVLVFYHIDZBCPH-OWCLPIDISA-N 2 2 365.478 0.346 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001282080831 1261336954 /nfs/dbraw/zinc/33/69/54/1261336954.db2.gz QJIVCSYYSKOBRF-YIDVYQOGSA-N 2 2 361.490 0.875 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594308 1261493002 /nfs/dbraw/zinc/49/30/02/1261493002.db2.gz XXGZCWPLDKPBGW-OKZBNKHCSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594308 1261493007 /nfs/dbraw/zinc/49/30/07/1261493007.db2.gz XXGZCWPLDKPBGW-OKZBNKHCSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594308 1261493011 /nfs/dbraw/zinc/49/30/11/1261493011.db2.gz XXGZCWPLDKPBGW-OKZBNKHCSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594308 1261493015 /nfs/dbraw/zinc/49/30/15/1261493015.db2.gz XXGZCWPLDKPBGW-OKZBNKHCSA-N 2 2 350.459 0.814 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116665 1261637885 /nfs/dbraw/zinc/63/78/85/1261637885.db2.gz IBBIAXZMTAMSJN-JKSUJKDBSA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116665 1261637891 /nfs/dbraw/zinc/63/78/91/1261637891.db2.gz IBBIAXZMTAMSJN-JKSUJKDBSA-N 2 2 373.501 0.802 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001345536812 1261732129 /nfs/dbraw/zinc/73/21/29/1261732129.db2.gz OOESTVQQGPHNPI-MSOLQXFVSA-N 2 2 368.570 0.338 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001345536812 1261732141 /nfs/dbraw/zinc/73/21/41/1261732141.db2.gz OOESTVQQGPHNPI-MSOLQXFVSA-N 2 2 368.570 0.338 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284627752 1261772402 /nfs/dbraw/zinc/77/24/02/1261772402.db2.gz DMVNMZFRNHUIPN-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284627752 1261772408 /nfs/dbraw/zinc/77/24/08/1261772408.db2.gz DMVNMZFRNHUIPN-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001284753798 1261786346 /nfs/dbraw/zinc/78/63/46/1261786346.db2.gz ZJXVYAPSHFZSDS-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001284753798 1261786351 /nfs/dbraw/zinc/78/63/51/1261786351.db2.gz ZJXVYAPSHFZSDS-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cc1cc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)[nH+]1 ZINC001285437295 1261839617 /nfs/dbraw/zinc/83/96/17/1261839617.db2.gz LZYOFLCCIMVWCP-OWCLPIDISA-N 2 2 362.474 0.554 20 0 FCADLP Cc1cc(C)c(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)[nH+]1 ZINC001285437295 1261839622 /nfs/dbraw/zinc/83/96/22/1261839622.db2.gz LZYOFLCCIMVWCP-OWCLPIDISA-N 2 2 362.474 0.554 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089570 1263128535 /nfs/dbraw/zinc/12/85/35/1263128535.db2.gz BPEUVHGVBMSRCZ-HRCADAONSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089570 1263128539 /nfs/dbraw/zinc/12/85/39/1263128539.db2.gz BPEUVHGVBMSRCZ-HRCADAONSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089570 1263128546 /nfs/dbraw/zinc/12/85/46/1263128546.db2.gz BPEUVHGVBMSRCZ-HRCADAONSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001304089570 1263128551 /nfs/dbraw/zinc/12/85/51/1263128551.db2.gz BPEUVHGVBMSRCZ-HRCADAONSA-N 2 2 374.445 0.079 20 0 FCADLP Nc1[nH+]cccc1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001479179385 1263175924 /nfs/dbraw/zinc/17/59/24/1263175924.db2.gz WTRZQIWAUCQFGN-MRXNPFEDSA-N 2 2 362.478 0.260 20 0 FCADLP Nc1[nH+]cccc1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479179385 1263175929 /nfs/dbraw/zinc/17/59/29/1263175929.db2.gz WTRZQIWAUCQFGN-MRXNPFEDSA-N 2 2 362.478 0.260 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001480157793 1263424958 /nfs/dbraw/zinc/42/49/58/1263424958.db2.gz DASPLZVKEIRMGE-OXGONZEZSA-N 2 2 358.446 0.018 20 0 FCADLP CCN1CC[C@@H]([N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001484759318 1263484485 /nfs/dbraw/zinc/48/44/85/1263484485.db2.gz ZBTBJHYQZKGITH-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CCN1CC[C@@H]([N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001484759318 1263484490 /nfs/dbraw/zinc/48/44/90/1263484490.db2.gz ZBTBJHYQZKGITH-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP COC[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001485763844 1263516730 /nfs/dbraw/zinc/51/67/30/1263516730.db2.gz SSUUSZQQLKPBIE-BZUAXINKSA-N 2 2 350.463 0.454 20 0 FCADLP COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001485763844 1263516738 /nfs/dbraw/zinc/51/67/38/1263516738.db2.gz SSUUSZQQLKPBIE-BZUAXINKSA-N 2 2 350.463 0.454 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)CC1 ZINC001317909813 1263528849 /nfs/dbraw/zinc/52/88/49/1263528849.db2.gz MTMRNTGEXXQMJD-UHFFFAOYSA-N 2 2 373.501 0.849 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1ncn2nccc2c1=O ZINC001318603001 1263590219 /nfs/dbraw/zinc/59/02/19/1263590219.db2.gz BMRXYAVLHYTMFS-UHFFFAOYSA-N 2 2 350.342 0.419 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001492939510 1263685524 /nfs/dbraw/zinc/68/55/24/1263685524.db2.gz WMEHCPRMPBOYHS-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001492939510 1263685530 /nfs/dbraw/zinc/68/55/30/1263685530.db2.gz WMEHCPRMPBOYHS-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001492939510 1263685536 /nfs/dbraw/zinc/68/55/36/1263685536.db2.gz WMEHCPRMPBOYHS-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001492939510 1263685541 /nfs/dbraw/zinc/68/55/41/1263685541.db2.gz WMEHCPRMPBOYHS-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001320146431 1263767433 /nfs/dbraw/zinc/76/74/33/1263767433.db2.gz YOSNDTGNLHCOKL-QGZVFWFLSA-N 2 2 361.490 0.738 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001320951087 1263886280 /nfs/dbraw/zinc/88/62/80/1263886280.db2.gz BPMKZDPQSDMAGT-ZDUSSCGKSA-N 2 2 359.434 0.490 20 0 FCADLP CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001499203359 1264012704 /nfs/dbraw/zinc/01/27/04/1264012704.db2.gz GHKFCBLNIZCDTJ-MRXNPFEDSA-N 2 2 364.494 0.084 20 0 FCADLP CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+]1CCOCC1 ZINC001499203359 1264012713 /nfs/dbraw/zinc/01/27/13/1264012713.db2.gz GHKFCBLNIZCDTJ-MRXNPFEDSA-N 2 2 364.494 0.084 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(C(N)=O)c3)C2)CC1 ZINC001321667700 1264027998 /nfs/dbraw/zinc/02/79/98/1264027998.db2.gz LUONISMBROQDIA-OAHLLOKOSA-N 2 2 373.457 0.009 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc(C(N)=O)c3)C2)CC1 ZINC001321667700 1264028007 /nfs/dbraw/zinc/02/80/07/1264028007.db2.gz LUONISMBROQDIA-OAHLLOKOSA-N 2 2 373.457 0.009 20 0 FCADLP Cc1n[nH]c(=O)c(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC001321895916 1264092607 /nfs/dbraw/zinc/09/26/07/1264092607.db2.gz CBVSZOKMCFCKGO-UHFFFAOYSA-N 2 2 364.494 0.966 20 0 FCADLP Cc1n[nH]c(=O)c(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC001321895916 1264092621 /nfs/dbraw/zinc/09/26/21/1264092621.db2.gz CBVSZOKMCFCKGO-UHFFFAOYSA-N 2 2 364.494 0.966 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001322489147 1264204600 /nfs/dbraw/zinc/20/46/00/1264204600.db2.gz XQUNQCIXFJJNSC-GJZGRUSLSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001322489147 1264204608 /nfs/dbraw/zinc/20/46/08/1264204608.db2.gz XQUNQCIXFJJNSC-GJZGRUSLSA-N 2 2 359.474 0.554 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC001322574763 1264221686 /nfs/dbraw/zinc/22/16/86/1264221686.db2.gz MXNADTZTGTXZRL-LSDHHAIUSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584131 1264223329 /nfs/dbraw/zinc/22/33/29/1264223329.db2.gz VBJHEYJHIOWSEB-AWEZNQCLSA-N 2 2 372.460 0.965 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC001322584131 1264223334 /nfs/dbraw/zinc/22/33/34/1264223334.db2.gz VBJHEYJHIOWSEB-AWEZNQCLSA-N 2 2 372.460 0.965 20 0 FCADLP Cc1ccc(NCCCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)[nH+]c1 ZINC001322801613 1264269658 /nfs/dbraw/zinc/26/96/58/1264269658.db2.gz XSGMVHACNBQAKT-UHFFFAOYSA-N 2 2 359.474 0.862 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994834 1264310985 /nfs/dbraw/zinc/31/09/85/1264310985.db2.gz VVEQKPSXTKKLKP-CQSZACIVSA-N 2 2 363.437 0.122 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)n3)C2)CC1 ZINC001322994834 1264310997 /nfs/dbraw/zinc/31/09/97/1264310997.db2.gz VVEQKPSXTKKLKP-CQSZACIVSA-N 2 2 363.437 0.122 20 0 FCADLP Cc1ocnc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323854036 1264530139 /nfs/dbraw/zinc/53/01/39/1264530139.db2.gz OKHYLPQGFQHDLE-OAHLLOKOSA-N 2 2 363.462 0.226 20 0 FCADLP Cc1ocnc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323854036 1264530146 /nfs/dbraw/zinc/53/01/46/1264530146.db2.gz OKHYLPQGFQHDLE-OAHLLOKOSA-N 2 2 363.462 0.226 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001325702922 1264973499 /nfs/dbraw/zinc/97/34/99/1264973499.db2.gz IRNBNSZBHNKLTR-UHFFFAOYSA-N 2 2 372.494 0.998 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001325702922 1264973504 /nfs/dbraw/zinc/97/35/04/1264973504.db2.gz IRNBNSZBHNKLTR-UHFFFAOYSA-N 2 2 372.494 0.998 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001326408808 1265109226 /nfs/dbraw/zinc/10/92/26/1265109226.db2.gz ORNPHHUPOFGSRQ-GOSISDBHSA-N 2 2 374.485 0.562 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC001326860296 1265186028 /nfs/dbraw/zinc/18/60/28/1265186028.db2.gz FFLAWQUMTCMHOU-DOXZYTNZSA-N 2 2 357.458 0.364 20 0 FCADLP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC001332966535 1266512877 /nfs/dbraw/zinc/51/28/77/1266512877.db2.gz NWMJBQOQOCJSGE-KRWDZBQOSA-N 2 2 356.478 0.875 20 0 FCADLP CC[N@H+]1CCC[C@H]1Cn1nnnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC001332966535 1266512890 /nfs/dbraw/zinc/51/28/90/1266512890.db2.gz NWMJBQOQOCJSGE-KRWDZBQOSA-N 2 2 356.478 0.875 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC001333088761 1266535604 /nfs/dbraw/zinc/53/56/04/1266535604.db2.gz BSVMKOAJRCTFMY-UHFFFAOYSA-N 2 2 367.538 0.119 20 0 FCADLP C[C@]([NH3+])(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001333260681 1266567457 /nfs/dbraw/zinc/56/74/57/1266567457.db2.gz MCSTVYRPPPMMOR-UYAOXDASSA-N 2 2 360.502 0.773 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001333425749 1266599375 /nfs/dbraw/zinc/59/93/75/1266599375.db2.gz PHVROVZKDMEVGN-SJLPKXTDSA-N 2 2 374.485 0.387 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)no1 ZINC001333556627 1266628811 /nfs/dbraw/zinc/62/88/11/1266628811.db2.gz FLKUFSSGYJGKRZ-UHFFFAOYSA-N 2 2 363.462 0.682 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC001333766713 1266706104 /nfs/dbraw/zinc/70/61/04/1266706104.db2.gz LQHNXZMFTKVRLQ-SNVBAGLBSA-N 2 2 351.432 0.400 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001334072128 1266810814 /nfs/dbraw/zinc/81/08/14/1266810814.db2.gz IFWQHJYXGUZLMS-GDBMZVCRSA-N 2 2 363.506 0.904 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC(C)(C)CN(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001334072128 1266810832 /nfs/dbraw/zinc/81/08/32/1266810832.db2.gz IFWQHJYXGUZLMS-GDBMZVCRSA-N 2 2 363.506 0.904 20 0 FCADLP COCCCS(=O)(=O)NCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001334107668 1266827589 /nfs/dbraw/zinc/82/75/89/1266827589.db2.gz CNBUXTFKXHXWEG-UHFFFAOYSA-N 2 2 367.431 0.470 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473167 1266901407 /nfs/dbraw/zinc/90/14/07/1266901407.db2.gz FRJUFEOUWMVJPW-UGSOOPFHSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473167 1266901412 /nfs/dbraw/zinc/90/14/12/1266901412.db2.gz FRJUFEOUWMVJPW-UGSOOPFHSA-N 2 2 352.479 0.938 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401700 1266966706 /nfs/dbraw/zinc/96/67/06/1266966706.db2.gz SYZJNKLJQGRROE-WBVHZDCISA-N 2 2 357.462 0.034 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001528401700 1266966715 /nfs/dbraw/zinc/96/67/15/1266966715.db2.gz SYZJNKLJQGRROE-WBVHZDCISA-N 2 2 357.462 0.034 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001529872606 1267083587 /nfs/dbraw/zinc/08/35/87/1267083587.db2.gz BBQATFIWRPFQKY-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001529872606 1267083593 /nfs/dbraw/zinc/08/35/93/1267083593.db2.gz BBQATFIWRPFQKY-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1C(N)=O ZINC001542526011 1267497857 /nfs/dbraw/zinc/49/78/57/1267497857.db2.gz MQRPVFGECUTYLG-UHFFFAOYSA-N 2 2 359.474 0.777 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153495 1267830205 /nfs/dbraw/zinc/83/02/05/1267830205.db2.gz QWVIPBQPRAZIFI-KEYYUXOJSA-N 2 2 362.478 0.866 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153495 1267830216 /nfs/dbraw/zinc/83/02/16/1267830216.db2.gz QWVIPBQPRAZIFI-KEYYUXOJSA-N 2 2 362.478 0.866 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549155764 1267832897 /nfs/dbraw/zinc/83/28/97/1267832897.db2.gz NFMGOOGJKJOLJS-XJIUQZFPSA-N 2 2 362.478 0.768 20 0 FCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549155764 1267832909 /nfs/dbraw/zinc/83/29/09/1267832909.db2.gz NFMGOOGJKJOLJS-XJIUQZFPSA-N 2 2 362.478 0.768 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001549154336 1267833671 /nfs/dbraw/zinc/83/36/71/1267833671.db2.gz VPBDHUTWYXFMOH-PBHICJAKSA-N 2 2 360.462 0.620 20 0 FCADLP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549156661 1267835442 /nfs/dbraw/zinc/83/54/42/1267835442.db2.gz SPJFWNBLMQTGCT-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549156661 1267835463 /nfs/dbraw/zinc/83/54/63/1267835463.db2.gz SPJFWNBLMQTGCT-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP CC1CC[NH+](CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549158947 1267839523 /nfs/dbraw/zinc/83/95/23/1267839523.db2.gz SQOWWNLYUNOMSE-YOEHRIQHSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@@H+](C2CC2)C1 ZINC001549162826 1267843220 /nfs/dbraw/zinc/84/32/20/1267843220.db2.gz RPUVFUIWRCQQPN-JOQOYGCGSA-N 2 2 374.489 0.866 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@H+](C2CC2)C1 ZINC001549162826 1267843242 /nfs/dbraw/zinc/84/32/42/1267843242.db2.gz RPUVFUIWRCQQPN-JOQOYGCGSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549176801 1267853995 /nfs/dbraw/zinc/85/39/95/1267853995.db2.gz XBJGJONTXQPXDL-RGFKIIKPSA-N 2 2 360.462 0.510 20 0 FCADLP Cc1cnn([C@@H]2[C@@H](O)C[C@@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC001549190832 1267856587 /nfs/dbraw/zinc/85/65/87/1267856587.db2.gz XTMJTRHPUJDSNW-ULQDDVLXSA-N 2 2 357.462 0.197 20 0 FCADLP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549739946 1267984936 /nfs/dbraw/zinc/98/49/36/1267984936.db2.gz IYNDRZSHJAOEJH-DLBZAZTESA-N 2 2 374.489 0.429 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001549998997 1268041393 /nfs/dbraw/zinc/04/13/93/1268041393.db2.gz BQFKUPDJTCKWLT-ZWKOTPCHSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC001549998997 1268041406 /nfs/dbraw/zinc/04/14/06/1268041406.db2.gz BQFKUPDJTCKWLT-ZWKOTPCHSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2)CC1 ZINC001550006525 1268045704 /nfs/dbraw/zinc/04/57/04/1268045704.db2.gz DXAJFVUDNVPPTB-RBUKOAKNSA-N 2 2 357.502 0.894 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)CC1 ZINC001550006525 1268045717 /nfs/dbraw/zinc/04/57/17/1268045717.db2.gz DXAJFVUDNVPPTB-RBUKOAKNSA-N 2 2 357.502 0.894 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001550020096 1268053400 /nfs/dbraw/zinc/05/34/00/1268053400.db2.gz XCFZNVFCKYOPFU-CJNGLKHVSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001550020096 1268053413 /nfs/dbraw/zinc/05/34/13/1268053413.db2.gz XCFZNVFCKYOPFU-CJNGLKHVSA-N 2 2 362.478 0.866 20 0 FCADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550266057 1268100494 /nfs/dbraw/zinc/10/04/94/1268100494.db2.gz QVZLZJKRXOBLKC-MJGOQNOKSA-N 2 2 357.502 0.905 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3ccc(=O)n(CCF)n3)c2)CC1 ZINC001550412882 1268112471 /nfs/dbraw/zinc/11/24/71/1268112471.db2.gz QVYOHDYTXFNEQT-UHFFFAOYSA-N 2 2 360.393 0.612 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550565040 1268134277 /nfs/dbraw/zinc/13/42/77/1268134277.db2.gz WQXLQKUUVQQYNU-OWSLCNJRSA-N 2 2 351.491 0.951 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@H]1[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001551387261 1268230712 /nfs/dbraw/zinc/23/07/12/1268230712.db2.gz JAOROQLYJROFTR-ROUUACIJSA-N 2 2 374.485 0.858 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001339426089 1268235524 /nfs/dbraw/zinc/23/55/24/1268235524.db2.gz GJKIREQHHHDABV-UHFFFAOYSA-N 2 2 351.539 0.251 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@]34C[C@]3(C(F)(F)F)C[NH2+]C4)C[C@@H]21 ZINC001551555332 1268267463 /nfs/dbraw/zinc/26/74/63/1268267463.db2.gz WXHSKZBICUYUGG-NEBZKDRISA-N 2 2 362.396 0.643 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@]34C[C@]3(C(F)(F)F)C[NH2+]C4)C[C@@H]21 ZINC001551555332 1268267473 /nfs/dbraw/zinc/26/74/73/1268267473.db2.gz WXHSKZBICUYUGG-NEBZKDRISA-N 2 2 362.396 0.643 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@]34C[C@]3(C(F)(F)F)C[NH2+]C4)C[C@H]21 ZINC001551555336 1268268008 /nfs/dbraw/zinc/26/80/08/1268268008.db2.gz WXHSKZBICUYUGG-UXOAXIEHSA-N 2 2 362.396 0.643 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@]34C[C@]3(C(F)(F)F)C[NH2+]C4)C[C@H]21 ZINC001551555336 1268268021 /nfs/dbraw/zinc/26/80/21/1268268021.db2.gz WXHSKZBICUYUGG-UXOAXIEHSA-N 2 2 362.396 0.643 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933640 1268314626 /nfs/dbraw/zinc/31/46/26/1268314626.db2.gz CSYYQWIYONHIAE-RRFJBIMHSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933640 1268314639 /nfs/dbraw/zinc/31/46/39/1268314639.db2.gz CSYYQWIYONHIAE-RRFJBIMHSA-N 2 2 362.478 0.642 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@@H+]1C ZINC001551937976 1268317102 /nfs/dbraw/zinc/31/71/02/1268317102.db2.gz IYHFECHBMQHDHH-BYNSBNAKSA-N 2 2 362.478 0.499 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@H+]1C ZINC001551937976 1268317112 /nfs/dbraw/zinc/31/71/12/1268317112.db2.gz IYHFECHBMQHDHH-BYNSBNAKSA-N 2 2 362.478 0.499 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001552008989 1268350160 /nfs/dbraw/zinc/35/01/60/1268350160.db2.gz CSZPPVUKLQPCHM-KZNAEPCWSA-N 2 2 367.538 0.517 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001552015280 1268352452 /nfs/dbraw/zinc/35/24/52/1268352452.db2.gz ZWFMMAGCQRESSV-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC001552015280 1268352457 /nfs/dbraw/zinc/35/24/57/1268352457.db2.gz ZWFMMAGCQRESSV-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP O=C(NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC001552078025 1268361254 /nfs/dbraw/zinc/36/12/54/1268361254.db2.gz IQANZJBBMWGAPQ-MJBXVCDLSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC001552078025 1268361265 /nfs/dbraw/zinc/36/12/65/1268361265.db2.gz IQANZJBBMWGAPQ-MJBXVCDLSA-N 2 2 356.467 0.948 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@@H]2[NH3+])cn1 ZINC001552098213 1268372234 /nfs/dbraw/zinc/37/22/34/1268372234.db2.gz SYNPCHNEYMYTHO-HOTGVXAUSA-N 2 2 357.462 0.632 20 0 FCADLP CO[C@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552116039 1268379985 /nfs/dbraw/zinc/37/99/85/1268379985.db2.gz QIWZBFHVLSOTFZ-HOTGVXAUSA-N 2 2 365.478 0.955 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1)Nc1ccccc1 ZINC001552199421 1268407199 /nfs/dbraw/zinc/40/71/99/1268407199.db2.gz DYKCDIBUFVHYMI-MGPUTAFESA-N 2 2 372.469 0.442 20 0 FCADLP CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001340047173 1268417891 /nfs/dbraw/zinc/41/78/91/1268417891.db2.gz DXLJDNGSHMJTTA-OAHLLOKOSA-N 2 2 359.478 0.781 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580499710 1278408278 /nfs/dbraw/zinc/40/82/78/1278408278.db2.gz QJORXGWCEHVHOM-UHFFFAOYSA-N 2 2 354.418 0.689 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580499710 1278408281 /nfs/dbraw/zinc/40/82/81/1278408281.db2.gz QJORXGWCEHVHOM-UHFFFAOYSA-N 2 2 354.418 0.689 20 0 FCADLP COc1ccc(N2CCN(C(=O)NCC[NH+]3CCC([NH3+])CC3)CC2)nc1 ZINC001552344922 1268446108 /nfs/dbraw/zinc/44/61/08/1268446108.db2.gz ZPUMJCWTBSWHFT-UHFFFAOYSA-N 2 2 362.478 0.345 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155598 1268453447 /nfs/dbraw/zinc/45/34/47/1268453447.db2.gz XBRIFYSLQJGEHR-HOCLYGCPSA-N 2 2 374.551 0.477 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155598 1268453450 /nfs/dbraw/zinc/45/34/50/1268453450.db2.gz XBRIFYSLQJGEHR-HOCLYGCPSA-N 2 2 374.551 0.477 20 0 FCADLP [NH3+]C[C@@H](O)CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001340169775 1268457533 /nfs/dbraw/zinc/45/75/33/1268457533.db2.gz VYRSDJYGLWETBZ-ZDUSSCGKSA-N 2 2 361.364 0.939 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580501209 1278411601 /nfs/dbraw/zinc/41/16/01/1278411601.db2.gz KHVIZMJPPYHTKC-LBPRGKRZSA-N 2 2 368.445 0.983 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@@H](C)O1 ZINC001552701126 1268523675 /nfs/dbraw/zinc/52/36/75/1268523675.db2.gz MGDKYQWXFPFSDU-KCYZZUKISA-N 2 2 364.494 0.902 20 0 FCADLP CC[N@@H+]1CCO[C@H](CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC001552801198 1268549830 /nfs/dbraw/zinc/54/98/30/1268549830.db2.gz CMOBRSCQQXOHJH-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CC[N@H+]1CCO[C@H](CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC001552801198 1268549835 /nfs/dbraw/zinc/54/98/35/1268549835.db2.gz CMOBRSCQQXOHJH-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[NH+](C2CCCC2)CC1 ZINC001553064926 1268585924 /nfs/dbraw/zinc/58/59/24/1268585924.db2.gz PDXCMIKFHNZIML-ROUUACIJSA-N 2 2 351.491 0.953 20 0 FCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553076959 1268587834 /nfs/dbraw/zinc/58/78/34/1268587834.db2.gz ZYSIVQUIRQOSRF-ZWKOTPCHSA-N 2 2 351.491 0.857 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)CC[C@@H]21 ZINC001553122884 1268592771 /nfs/dbraw/zinc/59/27/71/1268592771.db2.gz OMWZFDWCLRAVNR-OWSLCNJRSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)CC[C@@H]21 ZINC001553122884 1268592777 /nfs/dbraw/zinc/59/27/77/1268592777.db2.gz OMWZFDWCLRAVNR-OWSLCNJRSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553414796 1268647248 /nfs/dbraw/zinc/64/72/48/1268647248.db2.gz SIVXWAHBMJSTHR-QZWWFDLISA-N 2 2 359.474 0.228 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1 ZINC001553449285 1268652355 /nfs/dbraw/zinc/65/23/55/1268652355.db2.gz KNOMBCKDRMLDPK-LJQANCHMSA-N 2 2 368.522 0.884 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1 ZINC001553449285 1268652358 /nfs/dbraw/zinc/65/23/58/1268652358.db2.gz KNOMBCKDRMLDPK-LJQANCHMSA-N 2 2 368.522 0.884 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001340797320 1268661216 /nfs/dbraw/zinc/66/12/16/1268661216.db2.gz AASMSGTZFLOLTI-GFCCVEGCSA-N 2 2 361.450 0.060 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H]1C(F)(F)F ZINC001340822468 1268669593 /nfs/dbraw/zinc/66/95/93/1268669593.db2.gz JBBHPCJGPOSOGK-MQYQWHSLSA-N 2 2 365.396 0.462 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC001553745315 1268695417 /nfs/dbraw/zinc/69/54/17/1268695417.db2.gz KXQDXDSFQHEGEI-BONVTDFDSA-N 2 2 353.390 0.410 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)[C@H]1CCC[NH2+]1 ZINC001340894021 1268696891 /nfs/dbraw/zinc/69/68/91/1268696891.db2.gz NSDNZKBXSHPNKL-ZMSDIMECSA-N 2 2 359.474 0.552 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001341664273 1269139119 /nfs/dbraw/zinc/13/91/19/1269139119.db2.gz SIHFWZTWYURNJO-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001341664273 1269139127 /nfs/dbraw/zinc/13/91/27/1269139127.db2.gz SIHFWZTWYURNJO-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001341731978 1269175369 /nfs/dbraw/zinc/17/53/69/1269175369.db2.gz GWEGRAJIGNKQGA-JJXSEGSLSA-N 2 2 359.474 0.630 20 0 FCADLP C[N@H+]1CC=C(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001341792450 1269209535 /nfs/dbraw/zinc/20/95/35/1269209535.db2.gz CPJVDUZYYVPWRW-UHFFFAOYSA-N 2 2 358.508 0.057 20 0 FCADLP C[N@@H+]1CC=C(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001341792450 1269209542 /nfs/dbraw/zinc/20/95/42/1269209542.db2.gz CPJVDUZYYVPWRW-UHFFFAOYSA-N 2 2 358.508 0.057 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCNC3=O)CC2)CC1 ZINC001563842725 1269399324 /nfs/dbraw/zinc/39/93/24/1269399324.db2.gz JADNAMOLVJTHPN-CQSZACIVSA-N 2 2 351.495 0.370 20 0 FCADLP CN(C(=O)c1cnn(C)c1-n1cnnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001565695689 1269489281 /nfs/dbraw/zinc/48/92/81/1269489281.db2.gz YZTOPPJNISNMHF-OAHLLOKOSA-N 2 2 372.477 0.241 20 0 FCADLP CN(C(=O)c1cnn(C)c1-n1cnnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001565695689 1269489285 /nfs/dbraw/zinc/48/92/85/1269489285.db2.gz YZTOPPJNISNMHF-OAHLLOKOSA-N 2 2 372.477 0.241 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001568482896 1269733961 /nfs/dbraw/zinc/73/39/61/1269733961.db2.gz ABHOTFWTZAKGQF-HUUCEWRRSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001568482896 1269733967 /nfs/dbraw/zinc/73/39/67/1269733967.db2.gz ABHOTFWTZAKGQF-HUUCEWRRSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC2(CS(C)(=O)=O)CC2)CC[NH+]1C ZINC001568482896 1269733977 /nfs/dbraw/zinc/73/39/77/1269733977.db2.gz ABHOTFWTZAKGQF-HUUCEWRRSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC2(CS(C)(=O)=O)CC2)CC[NH+]1C ZINC001568482896 1269733986 /nfs/dbraw/zinc/73/39/86/1269733986.db2.gz ABHOTFWTZAKGQF-HUUCEWRRSA-N 2 2 359.536 0.542 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1OC ZINC001343102730 1269772182 /nfs/dbraw/zinc/77/21/82/1269772182.db2.gz PPRPZXIBXOSCNO-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1OC ZINC001343102730 1269772186 /nfs/dbraw/zinc/77/21/86/1269772186.db2.gz PPRPZXIBXOSCNO-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP CN1CC[NH2+]C[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001343371424 1269883219 /nfs/dbraw/zinc/88/32/19/1269883219.db2.gz KPNFJGGRVQXYHU-QGZVFWFLSA-N 2 2 359.474 0.109 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CO)CCOCC3)CC2)CC1 ZINC001570442486 1269884096 /nfs/dbraw/zinc/88/40/96/1269884096.db2.gz VKPVQKCVFYXNIJ-UHFFFAOYSA-N 2 2 353.507 0.794 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CO)CCOCC3)CC2)CC1 ZINC001570442486 1269884111 /nfs/dbraw/zinc/88/41/11/1269884111.db2.gz VKPVQKCVFYXNIJ-UHFFFAOYSA-N 2 2 353.507 0.794 20 0 FCADLP CN(CC(C)(C)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001570684273 1269906534 /nfs/dbraw/zinc/90/65/34/1269906534.db2.gz PQOQDGISWUJRQY-RBSFLKMASA-N 2 2 361.490 0.829 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001343686729 1269983196 /nfs/dbraw/zinc/98/31/96/1269983196.db2.gz PAXPOAQSUZWKDZ-SJORKVTESA-N 2 2 368.441 0.923 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001572794541 1270147704 /nfs/dbraw/zinc/14/77/04/1270147704.db2.gz IHDUWCNWPLCSOF-NUEKZKHPSA-N 2 2 365.453 0.691 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001572833011 1270217173 /nfs/dbraw/zinc/21/71/73/1270217173.db2.gz SOUZAGXWLVEJFG-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574612260 1271419712 /nfs/dbraw/zinc/41/97/12/1271419712.db2.gz FTEGOZIVVUJHPD-GFCCVEGCSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574653886 1271453078 /nfs/dbraw/zinc/45/30/78/1271453078.db2.gz PHHSREFBVAFZHY-XJKSGUPXSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574653886 1271453080 /nfs/dbraw/zinc/45/30/80/1271453080.db2.gz PHHSREFBVAFZHY-XJKSGUPXSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574655369 1271455708 /nfs/dbraw/zinc/45/57/08/1271455708.db2.gz ZNENLDJQJZXZSY-LBPRGKRZSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574671158 1271473858 /nfs/dbraw/zinc/47/38/58/1271473858.db2.gz KKYMGQNDUZSQFJ-OLZOCXBDSA-N 2 2 369.433 0.838 20 0 FCADLP C[C@H](C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574783248 1271516665 /nfs/dbraw/zinc/51/66/65/1271516665.db2.gz AIYFLZBINVDZFO-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574783248 1271516672 /nfs/dbraw/zinc/51/66/72/1271516672.db2.gz AIYFLZBINVDZFO-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCn1cc[nH+]c1 ZINC001574803684 1271540032 /nfs/dbraw/zinc/54/00/32/1271540032.db2.gz GLAYEAHJGGECMR-CYBMUJFWSA-N 2 2 369.433 0.880 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001575172692 1271763059 /nfs/dbraw/zinc/76/30/59/1271763059.db2.gz OBDJQCVHBVRPFJ-CRAIPNDOSA-N 2 2 357.495 0.780 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001575172692 1271763067 /nfs/dbraw/zinc/76/30/67/1271763067.db2.gz OBDJQCVHBVRPFJ-CRAIPNDOSA-N 2 2 357.495 0.780 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575378232 1272021384 /nfs/dbraw/zinc/02/13/84/1272021384.db2.gz FQHAMZLAZGRRKU-RYUDHWBXSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575377927 1272022129 /nfs/dbraw/zinc/02/21/29/1272022129.db2.gz FCGGYSUNEJIAML-QWRGUYRKSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575380885 1272023651 /nfs/dbraw/zinc/02/36/51/1272023651.db2.gz YCUFHCIXBLWIJQ-RYUDHWBXSA-N 2 2 372.408 0.885 20 0 FCADLP CC(C)Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001575666974 1272279087 /nfs/dbraw/zinc/27/90/87/1272279087.db2.gz STKBXAUKASXBPK-JKSUJKDBSA-N 2 2 350.511 0.995 20 0 FCADLP CC(C)Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001575666974 1272279095 /nfs/dbraw/zinc/27/90/95/1272279095.db2.gz STKBXAUKASXBPK-JKSUJKDBSA-N 2 2 350.511 0.995 20 0 FCADLP C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001575971762 1272627898 /nfs/dbraw/zinc/62/78/98/1272627898.db2.gz HCJXHTYOQNSFJK-CYBMUJFWSA-N 2 2 357.499 0.964 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021109 1272722616 /nfs/dbraw/zinc/72/26/16/1272722616.db2.gz XAMYPDHPJHXLFP-MLGOLLRUSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062101 1272807510 /nfs/dbraw/zinc/80/75/10/1272807510.db2.gz YLMUKKBHAFZOCO-DOTOQJQBSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062101 1272807525 /nfs/dbraw/zinc/80/75/25/1272807525.db2.gz YLMUKKBHAFZOCO-DOTOQJQBSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576065294 1272819650 /nfs/dbraw/zinc/81/96/50/1272819650.db2.gz LCTUMLITLKAQOE-BZUAXINKSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC001576070402 1272830551 /nfs/dbraw/zinc/83/05/51/1272830551.db2.gz JTEVTBBMWMNIPD-OWCLPIDISA-N 2 2 364.494 0.635 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[NH+]1CCOCC1 ZINC001576201496 1272987809 /nfs/dbraw/zinc/98/78/09/1272987809.db2.gz VRIABHQOUCZJNK-ABFRBSLYSA-N 2 2 354.495 0.633 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576270010 1273066898 /nfs/dbraw/zinc/06/68/98/1273066898.db2.gz BTSCLOPEXLTRAL-CHWSQXEVSA-N 2 2 367.417 0.087 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498591 1273358443 /nfs/dbraw/zinc/35/84/43/1273358443.db2.gz LTUUEXQGKUXYRN-TZMCWYRMSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499050 1273360535 /nfs/dbraw/zinc/36/05/35/1273360535.db2.gz HNKVZEFJLGLQMN-OCCSQVGLSA-N 2 2 358.450 0.687 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cnn[nH]3)cc2)C1 ZINC001576555495 1273434254 /nfs/dbraw/zinc/43/42/54/1273434254.db2.gz GVIIMLFJOAEWMG-KRWDZBQOSA-N 2 2 358.446 0.431 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cnn[nH]3)cc2)C1 ZINC001576555495 1273434263 /nfs/dbraw/zinc/43/42/63/1273434263.db2.gz GVIIMLFJOAEWMG-KRWDZBQOSA-N 2 2 358.446 0.431 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555668 1273434694 /nfs/dbraw/zinc/43/46/94/1273434694.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555668 1273434697 /nfs/dbraw/zinc/43/46/97/1273434697.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555668 1273434704 /nfs/dbraw/zinc/43/47/04/1273434704.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555668 1273434707 /nfs/dbraw/zinc/43/47/07/1273434707.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555668 1273434710 /nfs/dbraw/zinc/43/47/10/1273434710.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555668 1273434713 /nfs/dbraw/zinc/43/47/13/1273434713.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H](C[N@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555668 1273434716 /nfs/dbraw/zinc/43/47/16/1273434716.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555668 1273434720 /nfs/dbraw/zinc/43/47/20/1273434720.db2.gz HIMGFOAZYWNATF-WBVHZDCISA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555663 1273435187 /nfs/dbraw/zinc/43/51/87/1273435187.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555663 1273435191 /nfs/dbraw/zinc/43/51/91/1273435191.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555663 1273435195 /nfs/dbraw/zinc/43/51/95/1273435195.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555663 1273435198 /nfs/dbraw/zinc/43/51/98/1273435198.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555663 1273435200 /nfs/dbraw/zinc/43/52/00/1273435200.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555663 1273435205 /nfs/dbraw/zinc/43/52/05/1273435205.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555663 1273435207 /nfs/dbraw/zinc/43/52/07/1273435207.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555663 1273435211 /nfs/dbraw/zinc/43/52/11/1273435211.db2.gz HIMGFOAZYWNATF-DOTOQJQBSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557613 1273437629 /nfs/dbraw/zinc/43/76/29/1273437629.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557613 1273437632 /nfs/dbraw/zinc/43/76/32/1273437632.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557613 1273437635 /nfs/dbraw/zinc/43/76/35/1273437635.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557613 1273437638 /nfs/dbraw/zinc/43/76/38/1273437638.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557613 1273437641 /nfs/dbraw/zinc/43/76/41/1273437641.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557613 1273437644 /nfs/dbraw/zinc/43/76/44/1273437644.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557613 1273437647 /nfs/dbraw/zinc/43/76/47/1273437647.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557613 1273437649 /nfs/dbraw/zinc/43/76/49/1273437649.db2.gz RZRPBYDFHGLQLX-JKSUJKDBSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558034 1273438308 /nfs/dbraw/zinc/43/83/08/1273438308.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558034 1273438314 /nfs/dbraw/zinc/43/83/14/1273438314.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCc2cn[nH]n2)C1 ZINC001576558034 1273438316 /nfs/dbraw/zinc/43/83/16/1273438316.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCc2cn[nH]n2)C1 ZINC001576558034 1273438322 /nfs/dbraw/zinc/43/83/22/1273438322.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558034 1273438327 /nfs/dbraw/zinc/43/83/27/1273438327.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558034 1273438333 /nfs/dbraw/zinc/43/83/33/1273438333.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCc2c[nH]nn2)C1 ZINC001576558034 1273438337 /nfs/dbraw/zinc/43/83/37/1273438337.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCc2c[nH]nn2)C1 ZINC001576558034 1273438341 /nfs/dbraw/zinc/43/83/41/1273438341.db2.gz VHJQVGYYXRSMED-ULQDDVLXSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2cn[nH]n2)C1 ZINC001576558001 1273440059 /nfs/dbraw/zinc/44/00/59/1273440059.db2.gz UPBKTCOSBBSYNW-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2cn[nH]n2)C1 ZINC001576558001 1273440062 /nfs/dbraw/zinc/44/00/62/1273440062.db2.gz UPBKTCOSBBSYNW-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2c[nH]nn2)C1 ZINC001576558001 1273440067 /nfs/dbraw/zinc/44/00/67/1273440067.db2.gz UPBKTCOSBBSYNW-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCc2c[nH]nn2)C1 ZINC001576558001 1273440073 /nfs/dbraw/zinc/44/00/73/1273440073.db2.gz UPBKTCOSBBSYNW-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001576612000 1273480804 /nfs/dbraw/zinc/48/08/04/1273480804.db2.gz PCPMAZZXGUUBBX-DZGCQCFKSA-N 2 2 358.446 0.166 20 0 FCADLP C[N@H+](CC(=O)NC1(C[NH2+]Cc2cnn[nH]2)CCOCC1)Cc1ccccc1 ZINC001576763106 1273638791 /nfs/dbraw/zinc/63/87/91/1273638791.db2.gz ZMGHNVQVCVQDRV-UHFFFAOYSA-N 2 2 372.473 0.692 20 0 FCADLP C[N@@H+](CC(=O)NC1(C[NH2+]Cc2cnn[nH]2)CCOCC1)Cc1ccccc1 ZINC001576763106 1273638799 /nfs/dbraw/zinc/63/87/99/1273638799.db2.gz ZMGHNVQVCVQDRV-UHFFFAOYSA-N 2 2 372.473 0.692 20 0 FCADLP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576804462 1273711637 /nfs/dbraw/zinc/71/16/37/1273711637.db2.gz SUANKJHQZPSGAF-CHWSQXEVSA-N 2 2 369.433 0.838 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576807844 1273721641 /nfs/dbraw/zinc/72/16/41/1273721641.db2.gz WKXZCIIUZBONEN-UONOGXRCSA-N 2 2 358.483 0.326 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576807844 1273721642 /nfs/dbraw/zinc/72/16/42/1273721642.db2.gz WKXZCIIUZBONEN-UONOGXRCSA-N 2 2 358.483 0.326 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576834327 1273761613 /nfs/dbraw/zinc/76/16/13/1273761613.db2.gz DMGHVPARULRFQY-CYBMUJFWSA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576835626 1273765384 /nfs/dbraw/zinc/76/53/84/1273765384.db2.gz DPKPSAIIPQOXPG-CYBMUJFWSA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576836599 1273771885 /nfs/dbraw/zinc/77/18/85/1273771885.db2.gz RTWWADYSLFGGJO-CQSZACIVSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1[NH3+] ZINC001576837812 1273774584 /nfs/dbraw/zinc/77/45/84/1273774584.db2.gz LXTNRKRUYZQQGJ-QXSJWSMHSA-N 2 2 364.494 0.286 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1[NH3+] ZINC001576837812 1273774591 /nfs/dbraw/zinc/77/45/91/1273774591.db2.gz LXTNRKRUYZQQGJ-QXSJWSMHSA-N 2 2 364.494 0.286 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861251 1273823273 /nfs/dbraw/zinc/82/32/73/1273823273.db2.gz PNLDHUQCARAEKN-HOTGVXAUSA-N 2 2 364.494 0.302 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861251 1273823277 /nfs/dbraw/zinc/82/32/77/1273823277.db2.gz PNLDHUQCARAEKN-HOTGVXAUSA-N 2 2 364.494 0.302 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861249 1273824326 /nfs/dbraw/zinc/82/43/26/1273824326.db2.gz PNLDHUQCARAEKN-CVEARBPZSA-N 2 2 364.494 0.302 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861249 1273824331 /nfs/dbraw/zinc/82/43/31/1273824331.db2.gz PNLDHUQCARAEKN-CVEARBPZSA-N 2 2 364.494 0.302 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)CC1 ZINC001576882096 1273862796 /nfs/dbraw/zinc/86/27/96/1273862796.db2.gz HOBCDJDQIJVZMU-CQSZACIVSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)CC1 ZINC001576882096 1273862809 /nfs/dbraw/zinc/86/28/09/1273862809.db2.gz HOBCDJDQIJVZMU-CQSZACIVSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)CC1 ZINC001576882096 1273862816 /nfs/dbraw/zinc/86/28/16/1273862816.db2.gz HOBCDJDQIJVZMU-CQSZACIVSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)CC1 ZINC001576882096 1273862823 /nfs/dbraw/zinc/86/28/23/1273862823.db2.gz HOBCDJDQIJVZMU-CQSZACIVSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)CC1 ZINC001576882096 1273862831 /nfs/dbraw/zinc/86/28/31/1273862831.db2.gz HOBCDJDQIJVZMU-CQSZACIVSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)CC1 ZINC001576882096 1273862839 /nfs/dbraw/zinc/86/28/39/1273862839.db2.gz HOBCDJDQIJVZMU-CQSZACIVSA-N 2 2 350.467 0.244 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001576898191 1273900140 /nfs/dbraw/zinc/90/01/40/1273900140.db2.gz NPEJSVAKOSULBJ-HOCLYGCPSA-N 2 2 353.511 0.521 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902224 1273906859 /nfs/dbraw/zinc/90/68/59/1273906859.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1c[nH]nn1 ZINC001576902224 1273906865 /nfs/dbraw/zinc/90/68/65/1273906865.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCc1c[nH]nn1 ZINC001576902224 1273906870 /nfs/dbraw/zinc/90/68/70/1273906870.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CCc1c[nH]nn1 ZINC001576902224 1273906876 /nfs/dbraw/zinc/90/68/76/1273906876.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902224 1273906881 /nfs/dbraw/zinc/90/68/81/1273906881.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCc1cn[nH]n1 ZINC001576902224 1273906884 /nfs/dbraw/zinc/90/68/84/1273906884.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCc1cn[nH]n1 ZINC001576902224 1273906891 /nfs/dbraw/zinc/90/68/91/1273906891.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CCc1cn[nH]n1 ZINC001576902224 1273906894 /nfs/dbraw/zinc/90/68/94/1273906894.db2.gz CUDYLFRXECOSGV-RTBURBONSA-N 2 2 368.485 0.985 20 0 FCADLP CCCC(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577218863 1274257163 /nfs/dbraw/zinc/25/71/63/1274257163.db2.gz LOXMJTSSTOIGCK-UHFFFAOYSA-N 2 2 358.450 0.476 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577556650 1274498814 /nfs/dbraw/zinc/49/88/14/1274498814.db2.gz FFLRQVXCYXQYDV-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577556650 1274498816 /nfs/dbraw/zinc/49/88/16/1274498816.db2.gz FFLRQVXCYXQYDV-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577556650 1274498819 /nfs/dbraw/zinc/49/88/19/1274498819.db2.gz FFLRQVXCYXQYDV-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001577556650 1274498823 /nfs/dbraw/zinc/49/88/23/1274498823.db2.gz FFLRQVXCYXQYDV-IRXDYDNUSA-N 2 2 369.473 0.994 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)CCC[NH2+]CCc1cn[nH]n1)C2 ZINC001577571184 1274534606 /nfs/dbraw/zinc/53/46/06/1274534606.db2.gz AAPAMJZAMBJZOA-HIFRSBDPSA-N 2 2 359.478 0.989 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)CCC[NH2+]CCc1c[nH]nn1)C2 ZINC001577571184 1274534608 /nfs/dbraw/zinc/53/46/08/1274534608.db2.gz AAPAMJZAMBJZOA-HIFRSBDPSA-N 2 2 359.478 0.989 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001577767201 1274851048 /nfs/dbraw/zinc/85/10/48/1274851048.db2.gz HTHIPJUNHRTHSS-APWZRJJASA-N 3 2 352.523 0.901 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001577767201 1274851058 /nfs/dbraw/zinc/85/10/58/1274851058.db2.gz HTHIPJUNHRTHSS-APWZRJJASA-N 3 2 352.523 0.901 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCCC1=CC[N@H+](CCc2cn[nH]n2)CC1 ZINC001577872964 1275063911 /nfs/dbraw/zinc/06/39/11/1275063911.db2.gz RDPLYMBIHLISBI-UHFFFAOYSA-N 2 2 362.478 0.208 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCCC1=CC[N@@H+](CCc2cn[nH]n2)CC1 ZINC001577872964 1275063920 /nfs/dbraw/zinc/06/39/20/1275063920.db2.gz RDPLYMBIHLISBI-UHFFFAOYSA-N 2 2 362.478 0.208 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCCC1=CC[N@H+](CCc2c[nH]nn2)CC1 ZINC001577872964 1275063924 /nfs/dbraw/zinc/06/39/24/1275063924.db2.gz RDPLYMBIHLISBI-UHFFFAOYSA-N 2 2 362.478 0.208 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCCC1=CC[N@@H+](CCc2c[nH]nn2)CC1 ZINC001577872964 1275063928 /nfs/dbraw/zinc/06/39/28/1275063928.db2.gz RDPLYMBIHLISBI-UHFFFAOYSA-N 2 2 362.478 0.208 20 0 FCADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2ccc(NC(=O)OC)cc2)C[C@H]1C[NH3+] ZINC001578155573 1275455717 /nfs/dbraw/zinc/45/57/17/1275455717.db2.gz XHMHFGDQBWEDLM-GDBMZVCRSA-N 2 2 364.446 0.777 20 0 FCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2ccc(NC(=O)OC)cc2)C[C@H]1C[NH3+] ZINC001578155573 1275455722 /nfs/dbraw/zinc/45/57/22/1275455722.db2.gz XHMHFGDQBWEDLM-GDBMZVCRSA-N 2 2 364.446 0.777 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001578197056 1275484946 /nfs/dbraw/zinc/48/49/46/1275484946.db2.gz FRNFPYCLWITMPS-ZIAGYGMSSA-N 2 2 372.477 0.935 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001578197056 1275484947 /nfs/dbraw/zinc/48/49/47/1275484947.db2.gz FRNFPYCLWITMPS-ZIAGYGMSSA-N 2 2 372.477 0.935 20 0 FCADLP CC[C@H](C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578471654 1275884771 /nfs/dbraw/zinc/88/47/71/1275884771.db2.gz XENAUKFUSDIXEZ-GXTWGEPZSA-N 2 2 358.450 0.639 20 0 FCADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539850 1275967916 /nfs/dbraw/zinc/96/79/16/1275967916.db2.gz GWOPDAFPWOVMQH-XHSDSOJGSA-N 2 2 353.850 0.816 20 0 FCADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539850 1275967917 /nfs/dbraw/zinc/96/79/17/1275967917.db2.gz GWOPDAFPWOVMQH-XHSDSOJGSA-N 2 2 353.850 0.816 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578975934 1276526826 /nfs/dbraw/zinc/52/68/26/1276526826.db2.gz KTZQUMCTZJVMQW-GJZGRUSLSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578975934 1276526829 /nfs/dbraw/zinc/52/68/29/1276526829.db2.gz KTZQUMCTZJVMQW-GJZGRUSLSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578981216 1276542332 /nfs/dbraw/zinc/54/23/32/1276542332.db2.gz UNGCKNPYRIZNAH-CQSZACIVSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578981216 1276542334 /nfs/dbraw/zinc/54/23/34/1276542334.db2.gz UNGCKNPYRIZNAH-CQSZACIVSA-N 2 2 361.425 0.648 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001579007139 1276576931 /nfs/dbraw/zinc/57/69/31/1276576931.db2.gz OVQSGCWMWYVMDU-CQSZACIVSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001579007139 1276576936 /nfs/dbraw/zinc/57/69/36/1276576936.db2.gz OVQSGCWMWYVMDU-CQSZACIVSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@H+](CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007274 1276580844 /nfs/dbraw/zinc/58/08/44/1276580844.db2.gz SAESWTDDTKZNAV-ZDUSSCGKSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@@H+](CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007274 1276580850 /nfs/dbraw/zinc/58/08/50/1276580850.db2.gz SAESWTDDTKZNAV-ZDUSSCGKSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+](CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579008308 1276583101 /nfs/dbraw/zinc/58/31/01/1276583101.db2.gz RKELTQBXPUDIDV-MRXNPFEDSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579008308 1276583107 /nfs/dbraw/zinc/58/31/07/1276583107.db2.gz RKELTQBXPUDIDV-MRXNPFEDSA-N 2 2 370.461 0.475 20 0 FCADLP CN(C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579076575 1276692907 /nfs/dbraw/zinc/69/29/07/1276692907.db2.gz RUVUAKCRKCMXQX-CQSZACIVSA-N 2 2 370.461 0.785 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579172091 1276927913 /nfs/dbraw/zinc/92/79/13/1276927913.db2.gz LXNOFKSAMWFZSN-CQSZACIVSA-N 2 2 361.425 0.506 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579172091 1276927918 /nfs/dbraw/zinc/92/79/18/1276927918.db2.gz LXNOFKSAMWFZSN-CQSZACIVSA-N 2 2 361.425 0.506 20 0 FCADLP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001579214385 1277010012 /nfs/dbraw/zinc/01/00/12/1277010012.db2.gz ATGBEBPVLUVXJK-LBPRGKRZSA-N 2 2 367.417 0.013 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579342805 1277193136 /nfs/dbraw/zinc/19/31/36/1277193136.db2.gz DOQFTVXFOQJTNC-CQSZACIVSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579342805 1277193139 /nfs/dbraw/zinc/19/31/39/1277193139.db2.gz DOQFTVXFOQJTNC-CQSZACIVSA-N 2 2 355.446 0.509 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCC(OC3C[NH2+]C3)CC2)cc1 ZINC001579350688 1277206170 /nfs/dbraw/zinc/20/61/70/1277206170.db2.gz VNXUXZNZETUCCL-QGZVFWFLSA-N 2 2 354.472 0.576 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356828 1277222865 /nfs/dbraw/zinc/22/28/65/1277222865.db2.gz OCUBMWYKSJHOPX-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356828 1277222866 /nfs/dbraw/zinc/22/28/66/1277222866.db2.gz OCUBMWYKSJHOPX-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356828 1277222868 /nfs/dbraw/zinc/22/28/68/1277222868.db2.gz OCUBMWYKSJHOPX-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356828 1277222870 /nfs/dbraw/zinc/22/28/70/1277222870.db2.gz OCUBMWYKSJHOPX-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358434 1277227368 /nfs/dbraw/zinc/22/73/68/1277227368.db2.gz DNUGITGFFQZTNO-CABCVRRESA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358434 1277227370 /nfs/dbraw/zinc/22/73/70/1277227370.db2.gz DNUGITGFFQZTNO-CABCVRRESA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579359678 1277233348 /nfs/dbraw/zinc/23/33/48/1277233348.db2.gz ZQNOVEJDGAXPDY-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579359678 1277233350 /nfs/dbraw/zinc/23/33/50/1277233350.db2.gz ZQNOVEJDGAXPDY-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366037 1277246470 /nfs/dbraw/zinc/24/64/70/1277246470.db2.gz NCZNWQJZDWALLJ-WFASDCNBSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366037 1277246473 /nfs/dbraw/zinc/24/64/73/1277246473.db2.gz NCZNWQJZDWALLJ-WFASDCNBSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367102 1277249388 /nfs/dbraw/zinc/24/93/88/1277249388.db2.gz PYVMSZZYFHFIGF-MAUKXSAKSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367102 1277249389 /nfs/dbraw/zinc/24/93/89/1277249389.db2.gz PYVMSZZYFHFIGF-MAUKXSAKSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372171 1277254418 /nfs/dbraw/zinc/25/44/18/1277254418.db2.gz VMEWMIWEQWOSER-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372171 1277254419 /nfs/dbraw/zinc/25/44/19/1277254419.db2.gz VMEWMIWEQWOSER-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372171 1277254420 /nfs/dbraw/zinc/25/44/20/1277254420.db2.gz VMEWMIWEQWOSER-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579372171 1277254421 /nfs/dbraw/zinc/25/44/21/1277254421.db2.gz VMEWMIWEQWOSER-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP Cc1c[nH+]c(CNC(=O)c2cc(Br)cn(CC[NH3+])c2=O)[nH]1 ZINC001579548099 1277538803 /nfs/dbraw/zinc/53/88/03/1277538803.db2.gz XBMCSNPPWMUCLN-UHFFFAOYSA-N 2 2 354.208 0.531 20 0 FCADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001579613805 1277654108 /nfs/dbraw/zinc/65/41/08/1277654108.db2.gz MYNYQIXBTXMENB-QGZVFWFLSA-N 2 2 350.438 0.810 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH+]cn1C ZINC001580276361 1278070453 /nfs/dbraw/zinc/07/04/53/1278070453.db2.gz DIYABOTWYMWBAF-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC001580859250 1279053540 /nfs/dbraw/zinc/05/35/40/1279053540.db2.gz XBZOQDOMSKKPFD-BMFZPTHFSA-N 2 2 371.503 0.601 20 0 FCADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCS(=O)(=O)C2CCCCC2)C1 ZINC001580859250 1279053546 /nfs/dbraw/zinc/05/35/46/1279053546.db2.gz XBZOQDOMSKKPFD-BMFZPTHFSA-N 2 2 371.503 0.601 20 0 FCADLP Cc1cc(N(C)CCNC(=O)CCc2[nH+]ccn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949432 1279155449 /nfs/dbraw/zinc/15/54/49/1279155449.db2.gz ZQNYIOBDWVUXEX-UHFFFAOYSA-N 2 2 369.433 0.489 20 0 FCADLP Cc1cc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@H]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970887 1279172129 /nfs/dbraw/zinc/17/21/29/1279172129.db2.gz JNKYJXLIRHCVMQ-GXTWGEPZSA-N 2 2 370.461 0.464 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001580972567 1279172984 /nfs/dbraw/zinc/17/29/84/1279172984.db2.gz NGZHAWXXQVJMNG-CYBMUJFWSA-N 2 2 367.417 0.470 20 0 FCADLP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580974594 1279175179 /nfs/dbraw/zinc/17/51/79/1279175179.db2.gz LVMVWFBQNYOZGG-STQMWFEESA-N 2 2 365.401 0.325 20 0 FCADLP Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988744 1279188285 /nfs/dbraw/zinc/18/82/85/1279188285.db2.gz UHGZEKBVZYGZQW-STQMWFEESA-N 2 2 369.433 0.584 20 0 FCADLP Cc1cc(N[C@@H](C)CCNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991291 1279194972 /nfs/dbraw/zinc/19/49/72/1279194972.db2.gz MSMFAECBDUUYED-NSHDSACASA-N 2 2 369.433 0.275 20 0 FCADLP Cc1cc(N[C@@H](C)CN(C)C(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993528 1279199782 /nfs/dbraw/zinc/19/97/82/1279199782.db2.gz FQGBEEWITPHXDR-LBPRGKRZSA-N 2 2 369.433 0.227 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581025900 1279258342 /nfs/dbraw/zinc/25/83/42/1279258342.db2.gz ILRCOOVKNZVUIT-NSHDSACASA-N 2 2 369.433 0.504 20 0 FCADLP Cc1cc(NCCN(C)C(=O)CCc2[nH+]ccn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028196 1279262748 /nfs/dbraw/zinc/26/27/48/1279262748.db2.gz KRFOFGZRRSXLOL-UHFFFAOYSA-N 2 2 369.433 0.229 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001581100020 1279385177 /nfs/dbraw/zinc/38/51/77/1279385177.db2.gz PBOGSJWBONJNKL-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001581100020 1279385187 /nfs/dbraw/zinc/38/51/87/1279385187.db2.gz PBOGSJWBONJNKL-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001603295428 1287349145 /nfs/dbraw/zinc/34/91/45/1287349145.db2.gz WMSIHENLUGROQQ-QGZVFWFLSA-N 2 2 369.473 0.854 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc2c(c1)COC2 ZINC001715604709 1287357835 /nfs/dbraw/zinc/35/78/35/1287357835.db2.gz YEOMPDGLBFMDAY-RCCFBDPRSA-N 2 2 370.453 0.821 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337893 1279716529 /nfs/dbraw/zinc/71/65/29/1279716529.db2.gz MLPKJWMPMMDIEL-ZDUSSCGKSA-N 2 2 367.417 0.149 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001581338581 1279718583 /nfs/dbraw/zinc/71/85/83/1279718583.db2.gz QIRRCUBDDYSXRH-LBPRGKRZSA-N 2 2 354.418 0.666 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001581338374 1279718622 /nfs/dbraw/zinc/71/86/22/1279718622.db2.gz YLFJLEXZEIPIBA-JSGCOSHPSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581340940 1279724945 /nfs/dbraw/zinc/72/49/45/1279724945.db2.gz XTIIATHDESUGBM-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581340940 1279724947 /nfs/dbraw/zinc/72/49/47/1279724947.db2.gz XTIIATHDESUGBM-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001581562552 1280137741 /nfs/dbraw/zinc/13/77/41/1280137741.db2.gz YLLZXQYUSGAHMN-DGCLKSJQSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562341 1280137944 /nfs/dbraw/zinc/13/79/44/1280137944.db2.gz QLWZXUIXSNUGPN-LLVKDONJSA-N 2 2 355.406 0.148 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581563639 1280141635 /nfs/dbraw/zinc/14/16/35/1280141635.db2.gz KXWFSFAFUOTNMC-LBPRGKRZSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581565378 1280144513 /nfs/dbraw/zinc/14/45/13/1280144513.db2.gz NQNCBOBNEBMBPH-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581565378 1280144518 /nfs/dbraw/zinc/14/45/18/1280144518.db2.gz NQNCBOBNEBMBPH-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581815097 1280560805 /nfs/dbraw/zinc/56/08/05/1280560805.db2.gz RUKLJWHUZCXNJP-UHFFFAOYSA-N 2 2 354.418 0.439 20 0 FCADLP O=C(CC1CC1)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581971664 1280818807 /nfs/dbraw/zinc/81/88/07/1280818807.db2.gz MNWWTXWWRRMDHW-UHFFFAOYSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582050927 1280972840 /nfs/dbraw/zinc/97/28/40/1280972840.db2.gz IQEIAHBSLZOLKM-ZDUSSCGKSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582090573 1281048168 /nfs/dbraw/zinc/04/81/68/1281048168.db2.gz VRBFXLYGNSDERT-UHFFFAOYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099543 1281055348 /nfs/dbraw/zinc/05/53/48/1281055348.db2.gz UQNSUPFKVNFLJP-ZFWWWQNUSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582100346 1281056965 /nfs/dbraw/zinc/05/69/65/1281056965.db2.gz HFYZJCFQOUZERJ-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582100346 1281056968 /nfs/dbraw/zinc/05/69/68/1281056968.db2.gz HFYZJCFQOUZERJ-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582169328 1281136163 /nfs/dbraw/zinc/13/61/63/1281136163.db2.gz MZLGENPAHDNPFS-AWEZNQCLSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582170616 1281138751 /nfs/dbraw/zinc/13/87/51/1281138751.db2.gz WETGENBHOQTXDP-MRXNPFEDSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582195108 1281175681 /nfs/dbraw/zinc/17/56/81/1281175681.db2.gz KWINDPKWYXNKID-AWEZNQCLSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582195328 1281176556 /nfs/dbraw/zinc/17/65/56/1281176556.db2.gz VIOOKQAJXFVWTN-UHFFFAOYSA-N 2 2 366.429 0.798 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582195328 1281176561 /nfs/dbraw/zinc/17/65/61/1281176561.db2.gz VIOOKQAJXFVWTN-UHFFFAOYSA-N 2 2 366.429 0.798 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582196958 1281179828 /nfs/dbraw/zinc/17/98/28/1281179828.db2.gz YWCXCEWGVNSOCQ-OLZOCXBDSA-N 2 2 367.417 0.420 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197778 1281181804 /nfs/dbraw/zinc/18/18/04/1281181804.db2.gz YMBZZPYPVBMAQU-HNNXBMFYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197778 1281181805 /nfs/dbraw/zinc/18/18/05/1281181805.db2.gz YMBZZPYPVBMAQU-HNNXBMFYSA-N 2 2 366.429 0.702 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001635475460 1282410304 /nfs/dbraw/zinc/41/03/04/1282410304.db2.gz BPZMQDWVHWLRRZ-NVXWUHKLSA-N 2 2 356.511 0.705 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001635475460 1282410308 /nfs/dbraw/zinc/41/03/08/1282410308.db2.gz BPZMQDWVHWLRRZ-NVXWUHKLSA-N 2 2 356.511 0.705 20 0 FCADLP CC(C)(C[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001589286278 1282829480 /nfs/dbraw/zinc/82/94/80/1282829480.db2.gz DSIDRXOKZOBNMP-CQSZACIVSA-N 2 2 357.418 0.828 20 0 FCADLP C[C@@H](CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001589826897 1283064463 /nfs/dbraw/zinc/06/44/63/1283064463.db2.gz LLEIKMHDBHBFJI-NSHDSACASA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)[NH+](CC)CC ZINC001682504068 1283628839 /nfs/dbraw/zinc/62/88/39/1283628839.db2.gz XMPDRVBDJLVQTE-OWCLPIDISA-N 2 2 365.478 0.151 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)[NH+](CC)CC ZINC001682504068 1283628854 /nfs/dbraw/zinc/62/88/54/1283628854.db2.gz XMPDRVBDJLVQTE-OWCLPIDISA-N 2 2 365.478 0.151 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3COC[C@H]3OC)CC2)CC1 ZINC001683005769 1283830814 /nfs/dbraw/zinc/83/08/14/1283830814.db2.gz QGBNDCWABVOOGS-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3COC[C@H]3OC)CC2)CC1 ZINC001683005769 1283830825 /nfs/dbraw/zinc/83/08/25/1283830825.db2.gz QGBNDCWABVOOGS-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC001591009536 1284071249 /nfs/dbraw/zinc/07/12/49/1284071249.db2.gz JDGUXUMPPYVKOI-VNQPRFMTSA-N 2 2 360.462 0.925 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001683822086 1284112974 /nfs/dbraw/zinc/11/29/74/1284112974.db2.gz UUNCFPLADVWQOD-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001683822086 1284112979 /nfs/dbraw/zinc/11/29/79/1284112979.db2.gz UUNCFPLADVWQOD-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001591072231 1284133446 /nfs/dbraw/zinc/13/34/46/1284133446.db2.gz HXRCNTPKFOFWPE-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001591072231 1284133452 /nfs/dbraw/zinc/13/34/52/1284133452.db2.gz HXRCNTPKFOFWPE-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CN(CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]cn1C ZINC001591081549 1284148954 /nfs/dbraw/zinc/14/89/54/1284148954.db2.gz KKQGGKVJFHOPAP-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CN(CCC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001591080602 1284149229 /nfs/dbraw/zinc/14/92/29/1284149229.db2.gz ANABXYBAURXRFM-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP Cn1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1-c1nn[nH]n1 ZINC001591180626 1284280436 /nfs/dbraw/zinc/28/04/36/1284280436.db2.gz NBZDMLICIRCCEY-UHFFFAOYSA-N 2 2 372.477 0.494 20 0 FCADLP Cc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001591863884 1284954303 /nfs/dbraw/zinc/95/43/03/1284954303.db2.gz DHEGEXKHHRVLIC-UHFFFAOYSA-N 2 2 369.473 0.915 20 0 FCADLP Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1-c1nn[nH]n1 ZINC001592154793 1285161323 /nfs/dbraw/zinc/16/13/23/1285161323.db2.gz JECIFWQSLLAEQZ-KRWDZBQOSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1-c1nn[nH]n1 ZINC001592154793 1285161327 /nfs/dbraw/zinc/16/13/27/1285161327.db2.gz JECIFWQSLLAEQZ-KRWDZBQOSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592301757 1285222168 /nfs/dbraw/zinc/22/21/68/1285222168.db2.gz VLHWSYVRUDVXSD-UHFFFAOYSA-N 2 2 360.447 0.729 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592419036 1285346393 /nfs/dbraw/zinc/34/63/93/1285346393.db2.gz TWUDGMMTCBPMDY-INIZCTEOSA-N 2 2 366.429 0.765 20 0 FCADLP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001592787481 1285713730 /nfs/dbraw/zinc/71/37/30/1285713730.db2.gz XQBFKJJVBYKHOY-LZWOXQAQSA-N 2 2 353.430 0.406 20 0 FCADLP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001592787480 1285713911 /nfs/dbraw/zinc/71/39/11/1285713911.db2.gz XQBFKJJVBYKHOY-IJEWVQPXSA-N 2 2 353.430 0.406 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001702665565 1285777631 /nfs/dbraw/zinc/77/76/31/1285777631.db2.gz POAQXSXANHVKML-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001592939109 1285829769 /nfs/dbraw/zinc/82/97/69/1285829769.db2.gz YMFUFGVYVNBSEY-UHFFFAOYSA-N 2 2 358.381 0.498 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)C12CC[NH+](CC1)C2 ZINC001593042455 1285928076 /nfs/dbraw/zinc/92/80/76/1285928076.db2.gz DDLISEZAPXJFED-GFCCVEGCSA-N 2 2 373.486 0.715 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)C12CC[NH+](CC1)C2 ZINC001593042455 1285928090 /nfs/dbraw/zinc/92/80/90/1285928090.db2.gz DDLISEZAPXJFED-GFCCVEGCSA-N 2 2 373.486 0.715 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504858 1286184254 /nfs/dbraw/zinc/18/42/54/1286184254.db2.gz NIKSJSPRBVJAHS-VNQPRFMTSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504858 1286184262 /nfs/dbraw/zinc/18/42/62/1286184262.db2.gz NIKSJSPRBVJAHS-VNQPRFMTSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593506888 1286187029 /nfs/dbraw/zinc/18/70/29/1286187029.db2.gz YIKPTNFPYVVWBY-OLZOCXBDSA-N 2 2 355.402 0.408 20 0 FCADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518652 1286189751 /nfs/dbraw/zinc/18/97/51/1286189751.db2.gz BRZIGIAVBMETJA-IAGOWNOFSA-N 2 2 358.446 0.431 20 0 FCADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518652 1286189754 /nfs/dbraw/zinc/18/97/54/1286189754.db2.gz BRZIGIAVBMETJA-IAGOWNOFSA-N 2 2 358.446 0.431 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518653 1286189767 /nfs/dbraw/zinc/18/97/67/1286189767.db2.gz BRZIGIAVBMETJA-IRXDYDNUSA-N 2 2 358.446 0.431 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518653 1286189769 /nfs/dbraw/zinc/18/97/69/1286189769.db2.gz BRZIGIAVBMETJA-IRXDYDNUSA-N 2 2 358.446 0.431 20 0 FCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001593519178 1286191813 /nfs/dbraw/zinc/19/18/13/1286191813.db2.gz JHPBALLVDHXRCU-MRXNPFEDSA-N 2 2 358.446 0.777 20 0 FCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001593519178 1286191816 /nfs/dbraw/zinc/19/18/16/1286191816.db2.gz JHPBALLVDHXRCU-MRXNPFEDSA-N 2 2 358.446 0.777 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001704595958 1286270255 /nfs/dbraw/zinc/27/02/55/1286270255.db2.gz KWUYQSPWHVBJJJ-HUUCEWRRSA-N 2 2 359.474 0.440 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001705114056 1286352366 /nfs/dbraw/zinc/35/23/66/1286352366.db2.gz DNEJYDCFNPIRIC-BZUAXINKSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001707165156 1286486310 /nfs/dbraw/zinc/48/63/10/1286486310.db2.gz LTSHBVXMAOBRCL-PBHICJAKSA-N 2 2 361.490 0.706 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707221956 1287066930 /nfs/dbraw/zinc/06/69/30/1287066930.db2.gz OMIPNLSFTJTDIZ-XHSDSOJGSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001707221956 1287066940 /nfs/dbraw/zinc/06/69/40/1287066940.db2.gz OMIPNLSFTJTDIZ-XHSDSOJGSA-N 2 2 361.490 0.893 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001707227029 1287076593 /nfs/dbraw/zinc/07/65/93/1287076593.db2.gz HJXLBSJOROZYHL-XHSDSOJGSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001707227029 1287076597 /nfs/dbraw/zinc/07/65/97/1287076597.db2.gz HJXLBSJOROZYHL-XHSDSOJGSA-N 2 2 361.490 0.658 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c[nH+]cn2C)c1-c1nn[nH]n1 ZINC001604892464 1287808664 /nfs/dbraw/zinc/80/86/64/1287808664.db2.gz OWISYVLOOYSJCR-UHFFFAOYSA-N 2 2 358.410 0.047 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001719231503 1287908924 /nfs/dbraw/zinc/90/89/24/1287908924.db2.gz CVJJWCGMLNCNFN-ZIAGYGMSSA-N 2 2 363.462 0.169 20 0 FCADLP Nc1[nH+]c(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1-c1nn[nH]n1 ZINC001606455269 1288326839 /nfs/dbraw/zinc/32/68/39/1288326839.db2.gz IRSPUPCXSSZOEK-UHFFFAOYSA-N 2 2 358.450 0.783 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606609299 1288405818 /nfs/dbraw/zinc/40/58/18/1288405818.db2.gz LTTLNGTWAXMFGL-HNNXBMFYSA-N 2 2 366.429 0.913 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607094503 1288660077 /nfs/dbraw/zinc/66/00/77/1288660077.db2.gz LHDNVOFQFARFLA-STQMWFEESA-N 2 2 355.402 0.477 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CC1 ZINC001735718161 1288794559 /nfs/dbraw/zinc/79/45/59/1288794559.db2.gz BAPVXWUGZYXNRC-GOEBONIOSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001735718161 1288794562 /nfs/dbraw/zinc/79/45/62/1288794562.db2.gz BAPVXWUGZYXNRC-GOEBONIOSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CCC[NH2+]Cc1nnn(C)n1 ZINC001691900516 1289336081 /nfs/dbraw/zinc/33/60/81/1289336081.db2.gz HAPRBEXCVFRMFQ-HZPDHXFCSA-N 2 2 363.510 0.803 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001691903557 1289337802 /nfs/dbraw/zinc/33/78/02/1289337802.db2.gz GPQITOZVTNIJKG-ARFHVFGLSA-N 2 2 368.503 0.582 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001692156249 1289408935 /nfs/dbraw/zinc/40/89/35/1289408935.db2.gz IVOXZVIWQHYQKW-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001692156249 1289408939 /nfs/dbraw/zinc/40/89/39/1289408939.db2.gz IVOXZVIWQHYQKW-IAGOWNOFSA-N 2 2 364.465 0.927 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@@H+]1Cc1nnc(C)o1 ZINC001692212271 1289428358 /nfs/dbraw/zinc/42/83/58/1289428358.db2.gz SWTJUVMQKVJPSR-JKSUJKDBSA-N 2 2 365.478 0.958 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[N@H+]1Cc1nnc(C)o1 ZINC001692212271 1289428362 /nfs/dbraw/zinc/42/83/62/1289428362.db2.gz SWTJUVMQKVJPSR-JKSUJKDBSA-N 2 2 365.478 0.958 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1=O ZINC001698721945 1289533915 /nfs/dbraw/zinc/53/39/15/1289533915.db2.gz BHTRPOJLTNUOAV-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001737459419 1289551130 /nfs/dbraw/zinc/55/11/30/1289551130.db2.gz YAVZFQBCGOJARN-KBUPBQIOSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699421885 1289554998 /nfs/dbraw/zinc/55/49/98/1289554998.db2.gz BHWJMJZMGBKRNQ-APHBMKBZSA-N 2 2 355.442 0.917 20 0 FCADLP COCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001699884099 1289571325 /nfs/dbraw/zinc/57/13/25/1289571325.db2.gz BOMQLKXCUZTICV-HUUCEWRRSA-N 2 2 350.463 0.815 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001701618584 1289670581 /nfs/dbraw/zinc/67/05/81/1289670581.db2.gz DWORHVMZGJWIJO-NWANDNLSSA-N 2 2 358.446 0.692 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001738941096 1289765869 /nfs/dbraw/zinc/76/58/69/1289765869.db2.gz WRVJMKMVVVAYGI-RBSFLKMASA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001738941096 1289765875 /nfs/dbraw/zinc/76/58/75/1289765875.db2.gz WRVJMKMVVVAYGI-RBSFLKMASA-N 2 2 359.474 0.773 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001616893261 1289799681 /nfs/dbraw/zinc/79/96/81/1289799681.db2.gz YLNQQLLSDVQBTF-UHFFFAOYSA-N 2 2 365.459 0.881 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001616893261 1289799685 /nfs/dbraw/zinc/79/96/85/1289799685.db2.gz YLNQQLLSDVQBTF-UHFFFAOYSA-N 2 2 365.459 0.881 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001739139795 1289817130 /nfs/dbraw/zinc/81/71/30/1289817130.db2.gz VRHGHNQGSUKINB-QDIHITRGSA-N 2 2 361.490 0.971 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001739139795 1289817146 /nfs/dbraw/zinc/81/71/46/1289817146.db2.gz VRHGHNQGSUKINB-QDIHITRGSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC001617187319 1289821769 /nfs/dbraw/zinc/82/17/69/1289821769.db2.gz VTXODWUVURQBDW-XLIONFOSSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC001617187319 1289821781 /nfs/dbraw/zinc/82/17/81/1289821781.db2.gz VTXODWUVURQBDW-XLIONFOSSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187319 1289821796 /nfs/dbraw/zinc/82/17/96/1289821796.db2.gz VTXODWUVURQBDW-XLIONFOSSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187319 1289821811 /nfs/dbraw/zinc/82/18/11/1289821811.db2.gz VTXODWUVURQBDW-XLIONFOSSA-N 2 2 361.486 0.539 20 0 FCADLP COCCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC001628813974 1290555862 /nfs/dbraw/zinc/55/58/62/1290555862.db2.gz OLEVKXDQGLNCMF-HNNXBMFYSA-N 2 2 350.467 0.165 20 0 FCADLP COCCn1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC001628813974 1290555871 /nfs/dbraw/zinc/55/58/71/1290555871.db2.gz OLEVKXDQGLNCMF-HNNXBMFYSA-N 2 2 350.467 0.165 20 0 FCADLP C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001741851707 1290561571 /nfs/dbraw/zinc/56/15/71/1290561571.db2.gz LBPBKFZIPNOEHU-JKSUJKDBSA-N 2 2 366.510 0.501 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)CC[N@@H+]1C ZINC001756214161 1290651679 /nfs/dbraw/zinc/65/16/79/1290651679.db2.gz ZCKRQZLDKLPORJ-SMLCLMEVSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)CC[N@H+]1C ZINC001756214161 1290651687 /nfs/dbraw/zinc/65/16/87/1290651687.db2.gz ZCKRQZLDKLPORJ-SMLCLMEVSA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001757082507 1290712538 /nfs/dbraw/zinc/71/25/38/1290712538.db2.gz NIKJNRBOIOJIBO-BZUAXINKSA-N 2 2 361.490 0.750 20 0 FCADLP O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001654415600 1291409845 /nfs/dbraw/zinc/40/98/45/1291409845.db2.gz CIEVTMJVYYBYAI-HKUYNNGSSA-N 2 2 374.485 0.858 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC001654630409 1291422869 /nfs/dbraw/zinc/42/28/69/1291422869.db2.gz ADYICUBSYCIQDX-INIZCTEOSA-N 2 2 362.474 0.752 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)NCc3ccc[nH+]c3N)ccn2)CC1 ZINC001674786527 1292153614 /nfs/dbraw/zinc/15/36/14/1292153614.db2.gz NCJURXMXKLTNEH-UHFFFAOYSA-N 2 2 355.446 0.810 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001676422619 1292202616 /nfs/dbraw/zinc/20/26/16/1292202616.db2.gz XRHKYKIBYUXODQ-PBHICJAKSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)[C@H]3CCCOC3)C2)CC1 ZINC001679304930 1292301580 /nfs/dbraw/zinc/30/15/80/1292301580.db2.gz XGCMYUYXFMFRED-ZOBUZTSGSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)[C@H]3CCCOC3)C2)CC1 ZINC001679304930 1292301590 /nfs/dbraw/zinc/30/15/90/1292301590.db2.gz XGCMYUYXFMFRED-ZOBUZTSGSA-N 2 2 354.495 0.242 20 0 FCADLP O=C(NCCN(C(=O)C12CC[NH+](CC1)C2)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001688492402 1294499996 /nfs/dbraw/zinc/49/99/96/1294499996.db2.gz MLYXPPSAYOPUFU-HUUCEWRRSA-N 2 2 357.458 0.716 20 0 FCADLP O=C(NCCN(C(=O)C12CC[NH+](CC1)C2)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001688492402 1294500004 /nfs/dbraw/zinc/50/00/04/1294500004.db2.gz MLYXPPSAYOPUFU-HUUCEWRRSA-N 2 2 357.458 0.716 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001688993782 1294563120 /nfs/dbraw/zinc/56/31/20/1294563120.db2.gz TYVDXEQQTOKHKJ-JKSUJKDBSA-N 2 2 361.490 0.850 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)CS(C)(=O)=O ZINC001689010401 1294566637 /nfs/dbraw/zinc/56/66/37/1294566637.db2.gz NLYWEJHNUPXNFI-MELADBBJSA-N 2 2 356.492 0.507 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001689085668 1294603821 /nfs/dbraw/zinc/60/38/21/1294603821.db2.gz ZAAMAPQNUBEDKV-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001689085668 1294603824 /nfs/dbraw/zinc/60/38/24/1294603824.db2.gz ZAAMAPQNUBEDKV-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001689231856 1294688643 /nfs/dbraw/zinc/68/86/43/1294688643.db2.gz NSQSQOYOZCFPKY-QKPAOTATSA-N 2 2 359.474 0.440 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2C1 ZINC001689231856 1294688654 /nfs/dbraw/zinc/68/86/54/1294688654.db2.gz NSQSQOYOZCFPKY-QKPAOTATSA-N 2 2 359.474 0.440 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOCC(F)(F)F ZINC001689284705 1294713186 /nfs/dbraw/zinc/71/31/86/1294713186.db2.gz GJHQPFCVVXSHRD-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOCC(F)(F)F ZINC001689284705 1294713190 /nfs/dbraw/zinc/71/31/90/1294713190.db2.gz GJHQPFCVVXSHRD-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOCC(F)(F)F ZINC001689284705 1294713195 /nfs/dbraw/zinc/71/31/95/1294713195.db2.gz GJHQPFCVVXSHRD-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOCC(F)(F)F ZINC001689284705 1294713201 /nfs/dbraw/zinc/71/32/01/1294713201.db2.gz GJHQPFCVVXSHRD-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC[N@@H+]1C ZINC001689453353 1294787396 /nfs/dbraw/zinc/78/73/96/1294787396.db2.gz URMANIMEFLUZAL-CWRNSKLLSA-N 2 2 362.474 0.984 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC[N@H+]1C ZINC001689453353 1294787400 /nfs/dbraw/zinc/78/74/00/1294787400.db2.gz URMANIMEFLUZAL-CWRNSKLLSA-N 2 2 362.474 0.984 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001689616133 1294815332 /nfs/dbraw/zinc/81/53/32/1294815332.db2.gz ISWZPZRIDAMQDH-HUUCEWRRSA-N 2 2 359.474 0.630 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC001690576509 1294871893 /nfs/dbraw/zinc/87/18/93/1294871893.db2.gz BOONLAWRWPPFMB-AEGPPILISA-N 2 2 360.462 0.347 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC001690576509 1294871902 /nfs/dbraw/zinc/87/19/02/1294871902.db2.gz BOONLAWRWPPFMB-AEGPPILISA-N 2 2 360.462 0.347 20 0 FCADLP Cc1oncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001690606516 1294873877 /nfs/dbraw/zinc/87/38/77/1294873877.db2.gz PIIWMMFICOQKOM-XYPHTWIQSA-N 2 2 366.462 0.457 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)on1 ZINC001691651416 1294902838 /nfs/dbraw/zinc/90/28/38/1294902838.db2.gz QJPLSQBFFFYJMO-QWHCGFSZSA-N 2 2 360.418 0.762 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001691799273 1294924132 /nfs/dbraw/zinc/92/41/32/1294924132.db2.gz GZVPYJUJPRJRDP-PMPSAXMXSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001691799273 1294924142 /nfs/dbraw/zinc/92/41/42/1294924142.db2.gz GZVPYJUJPRJRDP-PMPSAXMXSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1c[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(N)c1 ZINC001164708594 719917846 /nfs/dbraw/zinc/91/78/46/719917846.db2.gz MGBLTPWOQIXTPM-UHFFFAOYSA-N 2 2 369.473 0.656 20 0 FCADLP Cc1c[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1N ZINC001164708958 719918815 /nfs/dbraw/zinc/91/88/15/719918815.db2.gz VQCHKQAQEAXLIZ-UHFFFAOYSA-N 2 2 369.473 0.656 20 0 FCADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4C[NH2+]C5)C3)O2)CC1 ZINC001164889753 721398974 /nfs/dbraw/zinc/39/89/74/721398974.db2.gz MEBMAWRTCCNQLB-OXJNMPFZSA-N 2 2 372.517 0.845 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930700 837565955 /nfs/dbraw/zinc/56/59/55/837565955.db2.gz YITJATALVHFAIU-UKGLEEDUSA-N 2 2 352.870 0.712 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930700 837565968 /nfs/dbraw/zinc/56/59/68/837565968.db2.gz YITJATALVHFAIU-UKGLEEDUSA-N 2 2 352.870 0.712 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930700 837565977 /nfs/dbraw/zinc/56/59/77/837565977.db2.gz YITJATALVHFAIU-UKGLEEDUSA-N 2 2 352.870 0.712 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930700 837565982 /nfs/dbraw/zinc/56/59/82/837565982.db2.gz YITJATALVHFAIU-UKGLEEDUSA-N 2 2 352.870 0.712 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070158291 837628272 /nfs/dbraw/zinc/62/82/72/837628272.db2.gz DVZUBODONQNHOL-RDBSUJKOSA-N 2 2 361.475 0.371 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070158291 837628275 /nfs/dbraw/zinc/62/82/75/837628275.db2.gz DVZUBODONQNHOL-RDBSUJKOSA-N 2 2 361.475 0.371 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070158253 837628428 /nfs/dbraw/zinc/62/84/28/837628428.db2.gz CGFYIJLMNXRUCO-KFWWJZLASA-N 2 2 361.475 0.371 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070158253 837628430 /nfs/dbraw/zinc/62/84/30/837628430.db2.gz CGFYIJLMNXRUCO-KFWWJZLASA-N 2 2 361.475 0.371 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341662 844033940 /nfs/dbraw/zinc/03/39/40/844033940.db2.gz OCRUEUSVVAQOPO-IJLUTSLNSA-N 2 2 360.384 0.246 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341662 844033945 /nfs/dbraw/zinc/03/39/45/844033945.db2.gz OCRUEUSVVAQOPO-IJLUTSLNSA-N 2 2 360.384 0.246 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@@]2(C)C1 ZINC001101351167 844154603 /nfs/dbraw/zinc/15/46/03/844154603.db2.gz VWFUWJJFVYOBSL-DOMZBBRYSA-N 2 2 364.412 0.397 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@]2(C)C1 ZINC001101351167 844154609 /nfs/dbraw/zinc/15/46/09/844154609.db2.gz VWFUWJJFVYOBSL-DOMZBBRYSA-N 2 2 364.412 0.397 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)c(N(C)C)[nH+]1 ZINC000750253424 836413491 /nfs/dbraw/zinc/41/34/91/836413491.db2.gz BRPWBRQDQOZADS-QGZVFWFLSA-N 2 2 365.503 0.948 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101430241 844183926 /nfs/dbraw/zinc/18/39/26/844183926.db2.gz VKVZLDKAZITESB-PBHICJAKSA-N 2 2 368.503 0.178 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101430241 844183932 /nfs/dbraw/zinc/18/39/32/844183932.db2.gz VKVZLDKAZITESB-PBHICJAKSA-N 2 2 368.503 0.178 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001075643914 837876023 /nfs/dbraw/zinc/87/60/23/837876023.db2.gz PEUIYXJTVURAHO-IMJJTQAJSA-N 2 2 350.488 0.549 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001075643914 837876037 /nfs/dbraw/zinc/87/60/37/837876037.db2.gz PEUIYXJTVURAHO-IMJJTQAJSA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001075643914 837876050 /nfs/dbraw/zinc/87/60/50/837876050.db2.gz PEUIYXJTVURAHO-IMJJTQAJSA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001075643914 837876059 /nfs/dbraw/zinc/87/60/59/837876059.db2.gz PEUIYXJTVURAHO-IMJJTQAJSA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)CC1 ZINC001077015465 838217154 /nfs/dbraw/zinc/21/71/54/838217154.db2.gz YDMYTBFOCHNROU-DZAUJIKPSA-N 2 2 371.909 0.647 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)CC1 ZINC001077015465 838217167 /nfs/dbraw/zinc/21/71/67/838217167.db2.gz YDMYTBFOCHNROU-DZAUJIKPSA-N 2 2 371.909 0.647 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001077082020 838717582 /nfs/dbraw/zinc/71/75/82/838717582.db2.gz WWHCNWWXJHUMAA-HUUCEWRRSA-N 2 2 363.487 0.481 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001077082020 838717587 /nfs/dbraw/zinc/71/75/87/838717587.db2.gz WWHCNWWXJHUMAA-HUUCEWRRSA-N 2 2 363.487 0.481 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127870 838750743 /nfs/dbraw/zinc/75/07/43/838750743.db2.gz NANHIPSJLIUFLE-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127870 838750749 /nfs/dbraw/zinc/75/07/49/838750749.db2.gz NANHIPSJLIUFLE-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127870 838750757 /nfs/dbraw/zinc/75/07/57/838750757.db2.gz NANHIPSJLIUFLE-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127870 838750764 /nfs/dbraw/zinc/75/07/64/838750764.db2.gz NANHIPSJLIUFLE-DJIMGWMZSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001077131749 838758156 /nfs/dbraw/zinc/75/81/56/838758156.db2.gz JLSHBOAZPBOPNF-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC001077131749 838758164 /nfs/dbraw/zinc/75/81/64/838758164.db2.gz JLSHBOAZPBOPNF-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001077131749 838758167 /nfs/dbraw/zinc/75/81/67/838758167.db2.gz JLSHBOAZPBOPNF-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001077131749 838758174 /nfs/dbraw/zinc/75/81/74/838758174.db2.gz JLSHBOAZPBOPNF-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CCn1cc[nH+]c1 ZINC001077147909 838771112 /nfs/dbraw/zinc/77/11/12/838771112.db2.gz MZZYATSXYHMFAB-RRFJBIMHSA-N 2 2 351.451 0.003 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CCn1cc[nH+]c1 ZINC001077147909 838771119 /nfs/dbraw/zinc/77/11/19/838771119.db2.gz MZZYATSXYHMFAB-RRFJBIMHSA-N 2 2 351.451 0.003 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2O)O1 ZINC001077220546 838824434 /nfs/dbraw/zinc/82/44/34/838824434.db2.gz OCYPSHMKUJPOFD-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2O)O1 ZINC001077220546 838824444 /nfs/dbraw/zinc/82/44/44/838824444.db2.gz OCYPSHMKUJPOFD-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2O)O1 ZINC001077220546 838824453 /nfs/dbraw/zinc/82/44/53/838824453.db2.gz OCYPSHMKUJPOFD-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2O)O1 ZINC001077220546 838824462 /nfs/dbraw/zinc/82/44/62/838824462.db2.gz OCYPSHMKUJPOFD-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001077222679 838826167 /nfs/dbraw/zinc/82/61/67/838826167.db2.gz XSRJHHTUERDMJG-JUDXGUMMSA-N 2 2 368.503 0.140 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001077222679 838826181 /nfs/dbraw/zinc/82/61/81/838826181.db2.gz XSRJHHTUERDMJG-JUDXGUMMSA-N 2 2 368.503 0.140 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001077222679 838826197 /nfs/dbraw/zinc/82/61/97/838826197.db2.gz XSRJHHTUERDMJG-JUDXGUMMSA-N 2 2 368.503 0.140 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001077222679 838826211 /nfs/dbraw/zinc/82/62/11/838826211.db2.gz XSRJHHTUERDMJG-JUDXGUMMSA-N 2 2 368.503 0.140 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251546 838851024 /nfs/dbraw/zinc/85/10/24/838851024.db2.gz GCBDQRVNRBXLIZ-NWANDNLSSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251546 838851039 /nfs/dbraw/zinc/85/10/39/838851039.db2.gz GCBDQRVNRBXLIZ-NWANDNLSSA-N 2 2 354.401 0.652 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)s1 ZINC001077440927 838967580 /nfs/dbraw/zinc/96/75/80/838967580.db2.gz XYVUYADZETUSGS-BRWVUGGUSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)s1 ZINC001077440927 838967588 /nfs/dbraw/zinc/96/75/88/838967588.db2.gz XYVUYADZETUSGS-BRWVUGGUSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)cs1 ZINC001077566664 839042268 /nfs/dbraw/zinc/04/22/68/839042268.db2.gz JRCUEMDZFTXCQC-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)cs1 ZINC001077566664 839042279 /nfs/dbraw/zinc/04/22/79/839042279.db2.gz JRCUEMDZFTXCQC-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cs1 ZINC001077566664 839042288 /nfs/dbraw/zinc/04/22/88/839042288.db2.gz JRCUEMDZFTXCQC-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cs1 ZINC001077566664 839042294 /nfs/dbraw/zinc/04/22/94/839042294.db2.gz JRCUEMDZFTXCQC-ZACQAIPSSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001102104091 844416380 /nfs/dbraw/zinc/41/63/80/844416380.db2.gz FTJJBBINAUMFRN-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001102104091 844416389 /nfs/dbraw/zinc/41/63/89/844416389.db2.gz FTJJBBINAUMFRN-BZUAXINKSA-N 2 2 350.463 0.139 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001078081082 839324168 /nfs/dbraw/zinc/32/41/68/839324168.db2.gz PRALXCZKBGQQKR-ZACQAIPSSA-N 2 2 350.463 0.627 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001078081082 839324182 /nfs/dbraw/zinc/32/41/82/839324182.db2.gz PRALXCZKBGQQKR-ZACQAIPSSA-N 2 2 350.463 0.627 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1Cl ZINC001078174113 839377937 /nfs/dbraw/zinc/37/79/37/839377937.db2.gz BOHMTRALBYOSQX-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1Cl ZINC001078174113 839377951 /nfs/dbraw/zinc/37/79/51/839377951.db2.gz BOHMTRALBYOSQX-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1Cl ZINC001078174113 839377965 /nfs/dbraw/zinc/37/79/65/839377965.db2.gz BOHMTRALBYOSQX-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1Cl ZINC001078174113 839377979 /nfs/dbraw/zinc/37/79/79/839377979.db2.gz BOHMTRALBYOSQX-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078174245 839378527 /nfs/dbraw/zinc/37/85/27/839378527.db2.gz GHCJMQBTAOMYAJ-JCURWCKSSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001078174245 839378540 /nfs/dbraw/zinc/37/85/40/839378540.db2.gz GHCJMQBTAOMYAJ-JCURWCKSSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001078174245 839378551 /nfs/dbraw/zinc/37/85/51/839378551.db2.gz GHCJMQBTAOMYAJ-JCURWCKSSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078174245 839378557 /nfs/dbraw/zinc/37/85/57/839378557.db2.gz GHCJMQBTAOMYAJ-JCURWCKSSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)ccc1Cl ZINC001078174392 839380031 /nfs/dbraw/zinc/38/00/31/839380031.db2.gz JVTOPOVQQHMTQU-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)ccc1Cl ZINC001078174392 839380042 /nfs/dbraw/zinc/38/00/42/839380042.db2.gz JVTOPOVQQHMTQU-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1Cl ZINC001078174392 839380058 /nfs/dbraw/zinc/38/00/58/839380058.db2.gz JVTOPOVQQHMTQU-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccc1Cl ZINC001078174392 839380072 /nfs/dbraw/zinc/38/00/72/839380072.db2.gz JVTOPOVQQHMTQU-FVQBIDKESA-N 2 2 367.877 0.962 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102204033 844443850 /nfs/dbraw/zinc/44/38/50/844443850.db2.gz SLHHRGWJYRHQMQ-BZUAXINKSA-N 2 2 370.519 0.638 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102204033 844443856 /nfs/dbraw/zinc/44/38/56/844443856.db2.gz SLHHRGWJYRHQMQ-BZUAXINKSA-N 2 2 370.519 0.638 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526359 839541894 /nfs/dbraw/zinc/54/18/94/839541894.db2.gz LIPSTQPRRZMKHP-YUELXQCFSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526359 839541901 /nfs/dbraw/zinc/54/19/01/839541901.db2.gz LIPSTQPRRZMKHP-YUELXQCFSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079526359 839541910 /nfs/dbraw/zinc/54/19/10/839541910.db2.gz LIPSTQPRRZMKHP-YUELXQCFSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079526359 839541917 /nfs/dbraw/zinc/54/19/17/839541917.db2.gz LIPSTQPRRZMKHP-YUELXQCFSA-N 2 2 352.504 0.761 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698122 839576307 /nfs/dbraw/zinc/57/63/07/839576307.db2.gz KVNJGQKXLGDNNT-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698122 839576316 /nfs/dbraw/zinc/57/63/16/839576316.db2.gz KVNJGQKXLGDNNT-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001079951573 839630025 /nfs/dbraw/zinc/63/00/25/839630025.db2.gz UQXAVXMZYYVNAG-GADXADSLSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001079951573 839630033 /nfs/dbraw/zinc/63/00/33/839630033.db2.gz UQXAVXMZYYVNAG-GADXADSLSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001079951573 839630037 /nfs/dbraw/zinc/63/00/37/839630037.db2.gz UQXAVXMZYYVNAG-GADXADSLSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001079951573 839630043 /nfs/dbraw/zinc/63/00/43/839630043.db2.gz UQXAVXMZYYVNAG-GADXADSLSA-N 2 2 350.463 0.947 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079968575 839635224 /nfs/dbraw/zinc/63/52/24/839635224.db2.gz GYNARXKEVSUCCW-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079968575 839635227 /nfs/dbraw/zinc/63/52/27/839635227.db2.gz GYNARXKEVSUCCW-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079968575 839635230 /nfs/dbraw/zinc/63/52/30/839635230.db2.gz GYNARXKEVSUCCW-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079968575 839635234 /nfs/dbraw/zinc/63/52/34/839635234.db2.gz GYNARXKEVSUCCW-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317796 839700914 /nfs/dbraw/zinc/70/09/14/839700914.db2.gz AYYZTDLOQCPVFX-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317796 839700926 /nfs/dbraw/zinc/70/09/26/839700926.db2.gz AYYZTDLOQCPVFX-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080317796 839700933 /nfs/dbraw/zinc/70/09/33/839700933.db2.gz AYYZTDLOQCPVFX-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080317796 839700944 /nfs/dbraw/zinc/70/09/44/839700944.db2.gz AYYZTDLOQCPVFX-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754224 839790809 /nfs/dbraw/zinc/79/08/09/839790809.db2.gz DBOVJGZFETWWII-RHSMWYFYSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754224 839790817 /nfs/dbraw/zinc/79/08/17/839790817.db2.gz DBOVJGZFETWWII-RHSMWYFYSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782222 839799483 /nfs/dbraw/zinc/79/94/83/839799483.db2.gz AOVVTRPUVYEKII-IIAWOOMASA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782222 839799488 /nfs/dbraw/zinc/79/94/88/839799488.db2.gz AOVVTRPUVYEKII-IIAWOOMASA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942813 839837990 /nfs/dbraw/zinc/83/79/90/839837990.db2.gz AUPQMIRUIJNEQQ-GVDBMIGSSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942813 839837999 /nfs/dbraw/zinc/83/79/99/839837999.db2.gz AUPQMIRUIJNEQQ-GVDBMIGSSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940680 839838342 /nfs/dbraw/zinc/83/83/42/839838342.db2.gz CLWUXMSFJSVDNG-NVXWUHKLSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940680 839838346 /nfs/dbraw/zinc/83/83/46/839838346.db2.gz CLWUXMSFJSVDNG-NVXWUHKLSA-N 2 2 350.507 0.968 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446011 839932433 /nfs/dbraw/zinc/93/24/33/839932433.db2.gz KWRHLYZOCYURFX-RBSFLKMASA-N 2 2 351.451 0.220 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446011 839932438 /nfs/dbraw/zinc/93/24/38/839932438.db2.gz KWRHLYZOCYURFX-RBSFLKMASA-N 2 2 351.451 0.220 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081446011 839932443 /nfs/dbraw/zinc/93/24/43/839932443.db2.gz KWRHLYZOCYURFX-RBSFLKMASA-N 2 2 351.451 0.220 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081446011 839932445 /nfs/dbraw/zinc/93/24/45/839932445.db2.gz KWRHLYZOCYURFX-RBSFLKMASA-N 2 2 351.451 0.220 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406281 844487650 /nfs/dbraw/zinc/48/76/50/844487650.db2.gz KZMFPSVIMGIHIS-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406281 844487655 /nfs/dbraw/zinc/48/76/55/844487655.db2.gz KZMFPSVIMGIHIS-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481353 839941058 /nfs/dbraw/zinc/94/10/58/839941058.db2.gz FGXIKBGKPPQCRS-OAGGEKHMSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481353 839941063 /nfs/dbraw/zinc/94/10/63/839941063.db2.gz FGXIKBGKPPQCRS-OAGGEKHMSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[NH+](CCc2cccs2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481353 839941071 /nfs/dbraw/zinc/94/10/71/839941071.db2.gz FGXIKBGKPPQCRS-OAGGEKHMSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[NH+](CCc2cccs2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481353 839941079 /nfs/dbraw/zinc/94/10/79/839941079.db2.gz FGXIKBGKPPQCRS-OAGGEKHMSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081672569 839994539 /nfs/dbraw/zinc/99/45/39/839994539.db2.gz AQJJLBFTWKPERF-BZUAXINKSA-N 2 2 350.488 0.800 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081672569 839994549 /nfs/dbraw/zinc/99/45/49/839994549.db2.gz AQJJLBFTWKPERF-BZUAXINKSA-N 2 2 350.488 0.800 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856099 840070724 /nfs/dbraw/zinc/07/07/24/840070724.db2.gz YGWSFOKBFBQGNV-OWCLPIDISA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856099 840070730 /nfs/dbraw/zinc/07/07/30/840070730.db2.gz YGWSFOKBFBQGNV-OWCLPIDISA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081856099 840070740 /nfs/dbraw/zinc/07/07/40/840070740.db2.gz YGWSFOKBFBQGNV-OWCLPIDISA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081856099 840070750 /nfs/dbraw/zinc/07/07/50/840070750.db2.gz YGWSFOKBFBQGNV-OWCLPIDISA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223274 840246811 /nfs/dbraw/zinc/24/68/11/840246811.db2.gz MUTUHZSIXPTBNT-DPOFCPOHSA-N 2 2 355.870 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223274 840246820 /nfs/dbraw/zinc/24/68/20/840246820.db2.gz MUTUHZSIXPTBNT-DPOFCPOHSA-N 2 2 355.870 0.626 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482825 844521110 /nfs/dbraw/zinc/52/11/10/844521110.db2.gz KSNLVLCGDMIJNT-ZIAGYGMSSA-N 2 2 350.467 0.344 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482825 844521119 /nfs/dbraw/zinc/52/11/19/844521119.db2.gz KSNLVLCGDMIJNT-ZIAGYGMSSA-N 2 2 350.467 0.344 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370997 840358504 /nfs/dbraw/zinc/35/85/04/840358504.db2.gz NELLOWSAOVMLSM-HZPDHXFCSA-N 2 2 352.504 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370997 840358513 /nfs/dbraw/zinc/35/85/13/840358513.db2.gz NELLOWSAOVMLSM-HZPDHXFCSA-N 2 2 352.504 0.905 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1)C1CCCC1 ZINC001082394895 840387219 /nfs/dbraw/zinc/38/72/19/840387219.db2.gz LFASMVYAJVHZFT-IXDOHACOSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1)C1CCCC1 ZINC001082394895 840387232 /nfs/dbraw/zinc/38/72/32/840387232.db2.gz LFASMVYAJVHZFT-IXDOHACOSA-N 2 2 350.463 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082493093 840436026 /nfs/dbraw/zinc/43/60/26/840436026.db2.gz VOWRPTLNLDUSLL-QLFBSQMISA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082520843 840447106 /nfs/dbraw/zinc/44/71/06/840447106.db2.gz WYOBKWNXNHCVDY-AAVRWANBSA-N 2 2 350.467 0.412 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082520843 840447111 /nfs/dbraw/zinc/44/71/11/840447111.db2.gz WYOBKWNXNHCVDY-AAVRWANBSA-N 2 2 350.467 0.412 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C)n1 ZINC001082557396 840463386 /nfs/dbraw/zinc/46/33/86/840463386.db2.gz AXHKFABPHYFSEV-CHWSQXEVSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082673709 840520913 /nfs/dbraw/zinc/52/09/13/840520913.db2.gz ITEPZNZMVLOLLK-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102525156 844553578 /nfs/dbraw/zinc/55/35/78/844553578.db2.gz NRIBZMWLAMEDGZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102525156 844553583 /nfs/dbraw/zinc/55/35/83/844553583.db2.gz NRIBZMWLAMEDGZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102525156 844553587 /nfs/dbraw/zinc/55/35/87/844553587.db2.gz NRIBZMWLAMEDGZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102525156 844553590 /nfs/dbraw/zinc/55/35/90/844553590.db2.gz NRIBZMWLAMEDGZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082861317 840587225 /nfs/dbraw/zinc/58/72/25/840587225.db2.gz WTTSPLYJXKKZHC-CZUORRHYSA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082860780 840587244 /nfs/dbraw/zinc/58/72/44/840587244.db2.gz MLOGNTKZISHDJL-MGPQQGTHSA-N 2 2 368.503 0.559 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923665 840604601 /nfs/dbraw/zinc/60/46/01/840604601.db2.gz WMMIWZOUINUYOV-IIAWOOMASA-N 2 2 350.463 0.888 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532274 844556300 /nfs/dbraw/zinc/55/63/00/844556300.db2.gz DDPMDGAZTXLXKU-UKRRQHHQSA-N 2 2 370.519 0.770 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532274 844556307 /nfs/dbraw/zinc/55/63/07/844556307.db2.gz DDPMDGAZTXLXKU-UKRRQHHQSA-N 2 2 370.519 0.770 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cncs4)C[C@@H]32)CC[N@@H+]1C ZINC001083085837 840697968 /nfs/dbraw/zinc/69/79/68/840697968.db2.gz ORLBBKYNZNPAME-DMRZNYOFSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cncs4)C[C@@H]32)CC[N@H+]1C ZINC001083085837 840697973 /nfs/dbraw/zinc/69/79/73/840697973.db2.gz ORLBBKYNZNPAME-DMRZNYOFSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cncs4)C[C@@H]32)CC[NH+]1C ZINC001083085837 840697976 /nfs/dbraw/zinc/69/79/76/840697976.db2.gz ORLBBKYNZNPAME-DMRZNYOFSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cncs4)C[C@@H]32)CC[NH+]1C ZINC001083085837 840697981 /nfs/dbraw/zinc/69/79/81/840697981.db2.gz ORLBBKYNZNPAME-DMRZNYOFSA-N 2 2 350.488 0.895 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083127007 840734367 /nfs/dbraw/zinc/73/43/67/840734367.db2.gz UPTOOGNWLGAPLC-UHOFOFEASA-N 2 2 352.435 0.296 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083127007 840734379 /nfs/dbraw/zinc/73/43/79/840734379.db2.gz UPTOOGNWLGAPLC-UHOFOFEASA-N 2 2 352.435 0.296 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21 ZINC001083168772 840767837 /nfs/dbraw/zinc/76/78/37/840767837.db2.gz LLNBUPQDOKRAOZ-OKZBNKHCSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOC3CCC3)C[C@@H]21 ZINC001083168772 840767839 /nfs/dbraw/zinc/76/78/39/840767839.db2.gz LLNBUPQDOKRAOZ-OKZBNKHCSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]21 ZINC001083168772 840767842 /nfs/dbraw/zinc/76/78/42/840767842.db2.gz LLNBUPQDOKRAOZ-OKZBNKHCSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]21 ZINC001083168772 840767845 /nfs/dbraw/zinc/76/78/45/840767845.db2.gz LLNBUPQDOKRAOZ-OKZBNKHCSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@H+](C/C=C\Cl)C[C@@H]32)CC1 ZINC001083236344 840821199 /nfs/dbraw/zinc/82/11/99/840821199.db2.gz XAYDLGHHOLFLBS-LEDLSBJFSA-N 2 2 357.882 0.761 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@@H+](C/C=C\Cl)C[C@@H]32)CC1 ZINC001083236344 840821210 /nfs/dbraw/zinc/82/12/10/840821210.db2.gz XAYDLGHHOLFLBS-LEDLSBJFSA-N 2 2 357.882 0.761 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083275043 840855981 /nfs/dbraw/zinc/85/59/81/840855981.db2.gz MLFXFBPLDLDEPN-RRFJBIMHSA-N 2 2 359.417 0.418 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083275043 840855989 /nfs/dbraw/zinc/85/59/89/840855989.db2.gz MLFXFBPLDLDEPN-RRFJBIMHSA-N 2 2 359.417 0.418 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372701 840943234 /nfs/dbraw/zinc/94/32/34/840943234.db2.gz BBMMCXVMQDFFPL-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372701 840943239 /nfs/dbraw/zinc/94/32/39/840943239.db2.gz BBMMCXVMQDFFPL-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372701 840943248 /nfs/dbraw/zinc/94/32/48/840943248.db2.gz BBMMCXVMQDFFPL-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372701 840943257 /nfs/dbraw/zinc/94/32/57/840943257.db2.gz BBMMCXVMQDFFPL-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601235 844592341 /nfs/dbraw/zinc/59/23/41/844592341.db2.gz SJKIUMGVIMWFPN-HUUCEWRRSA-N 2 2 351.499 0.778 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601235 844592347 /nfs/dbraw/zinc/59/23/47/844592347.db2.gz SJKIUMGVIMWFPN-HUUCEWRRSA-N 2 2 351.499 0.778 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601235 844592353 /nfs/dbraw/zinc/59/23/53/844592353.db2.gz SJKIUMGVIMWFPN-HUUCEWRRSA-N 2 2 351.499 0.778 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601235 844592355 /nfs/dbraw/zinc/59/23/55/844592355.db2.gz SJKIUMGVIMWFPN-HUUCEWRRSA-N 2 2 351.499 0.778 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518642 841115052 /nfs/dbraw/zinc/11/50/52/841115052.db2.gz JGBAJFROEDCEJD-OAGGEKHMSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518642 841115057 /nfs/dbraw/zinc/11/50/57/841115057.db2.gz JGBAJFROEDCEJD-OAGGEKHMSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518642 841115061 /nfs/dbraw/zinc/11/50/61/841115061.db2.gz JGBAJFROEDCEJD-OAGGEKHMSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518642 841115065 /nfs/dbraw/zinc/11/50/65/841115065.db2.gz JGBAJFROEDCEJD-OAGGEKHMSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524454 841123522 /nfs/dbraw/zinc/12/35/22/841123522.db2.gz VJXWHYVSBDRXTM-OAGGEKHMSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524454 841123528 /nfs/dbraw/zinc/12/35/28/841123528.db2.gz VJXWHYVSBDRXTM-OAGGEKHMSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524454 841123534 /nfs/dbraw/zinc/12/35/34/841123534.db2.gz VJXWHYVSBDRXTM-OAGGEKHMSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524454 841123539 /nfs/dbraw/zinc/12/35/39/841123539.db2.gz VJXWHYVSBDRXTM-OAGGEKHMSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573641 841187042 /nfs/dbraw/zinc/18/70/42/841187042.db2.gz PXNGXXCWHLFVGS-KFWWJZLASA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573641 841187049 /nfs/dbraw/zinc/18/70/49/841187049.db2.gz PXNGXXCWHLFVGS-KFWWJZLASA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573641 841187054 /nfs/dbraw/zinc/18/70/54/841187054.db2.gz PXNGXXCWHLFVGS-KFWWJZLASA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573641 841187057 /nfs/dbraw/zinc/18/70/57/841187057.db2.gz PXNGXXCWHLFVGS-KFWWJZLASA-N 2 2 352.504 0.640 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719683 841353389 /nfs/dbraw/zinc/35/33/89/841353389.db2.gz QBAVCADBRKEBAF-IMJJTQAJSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719683 841353398 /nfs/dbraw/zinc/35/33/98/841353398.db2.gz QBAVCADBRKEBAF-IMJJTQAJSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719683 841353409 /nfs/dbraw/zinc/35/34/09/841353409.db2.gz QBAVCADBRKEBAF-IMJJTQAJSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719683 841353420 /nfs/dbraw/zinc/35/34/20/841353420.db2.gz QBAVCADBRKEBAF-IMJJTQAJSA-N 2 2 352.504 0.926 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053045 841666588 /nfs/dbraw/zinc/66/65/88/841666588.db2.gz QOLQRXJAMWZPCL-ZNMIVQPWSA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053045 841666597 /nfs/dbraw/zinc/66/65/97/841666597.db2.gz QOLQRXJAMWZPCL-ZNMIVQPWSA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053045 841666604 /nfs/dbraw/zinc/66/66/04/841666604.db2.gz QOLQRXJAMWZPCL-ZNMIVQPWSA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053045 841666608 /nfs/dbraw/zinc/66/66/08/841666608.db2.gz QOLQRXJAMWZPCL-ZNMIVQPWSA-N 2 2 350.463 0.719 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053760 841667485 /nfs/dbraw/zinc/66/74/85/841667485.db2.gz JVTOPOVQQHMTQU-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053760 841667491 /nfs/dbraw/zinc/66/74/91/841667491.db2.gz JVTOPOVQQHMTQU-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053760 841667499 /nfs/dbraw/zinc/66/74/99/841667499.db2.gz JVTOPOVQQHMTQU-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053760 841667504 /nfs/dbraw/zinc/66/75/04/841667504.db2.gz JVTOPOVQQHMTQU-BMFZPTHFSA-N 2 2 367.877 0.962 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054003 841668746 /nfs/dbraw/zinc/66/87/46/841668746.db2.gz SKTMYGXAIFQYDV-YUELXQCFSA-N 2 2 361.471 0.304 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054003 841668756 /nfs/dbraw/zinc/66/87/56/841668756.db2.gz SKTMYGXAIFQYDV-YUELXQCFSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054003 841668764 /nfs/dbraw/zinc/66/87/64/841668764.db2.gz SKTMYGXAIFQYDV-YUELXQCFSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4nsnc43)C[C@@H]2O)C1 ZINC001084054003 841668769 /nfs/dbraw/zinc/66/87/69/841668769.db2.gz SKTMYGXAIFQYDV-YUELXQCFSA-N 2 2 361.471 0.304 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001084058062 841671195 /nfs/dbraw/zinc/67/11/95/841671195.db2.gz IMKWQGMZAFTRSS-SJORKVTESA-N 2 2 367.877 0.976 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001084058062 841671203 /nfs/dbraw/zinc/67/12/03/841671203.db2.gz IMKWQGMZAFTRSS-SJORKVTESA-N 2 2 367.877 0.976 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001084091912 841700594 /nfs/dbraw/zinc/70/05/94/841700594.db2.gz WGJQASRJUZWXEB-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001084091912 841700602 /nfs/dbraw/zinc/70/06/02/841700602.db2.gz WGJQASRJUZWXEB-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1O ZINC001084091912 841700607 /nfs/dbraw/zinc/70/06/07/841700607.db2.gz WGJQASRJUZWXEB-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1O ZINC001084091912 841700613 /nfs/dbraw/zinc/70/06/13/841700613.db2.gz WGJQASRJUZWXEB-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251752 841755527 /nfs/dbraw/zinc/75/55/27/841755527.db2.gz ZKGGLPLMLWIPHM-OIISXLGYSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251752 841755534 /nfs/dbraw/zinc/75/55/34/841755534.db2.gz ZKGGLPLMLWIPHM-OIISXLGYSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251752 841755539 /nfs/dbraw/zinc/75/55/39/841755539.db2.gz ZKGGLPLMLWIPHM-OIISXLGYSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cs1 ZINC001084251752 841755546 /nfs/dbraw/zinc/75/55/46/841755546.db2.gz ZKGGLPLMLWIPHM-OIISXLGYSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251379 841755593 /nfs/dbraw/zinc/75/55/93/841755593.db2.gz LFMNQJNWLNQUSV-OAGGEKHMSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251379 841755601 /nfs/dbraw/zinc/75/56/01/841755601.db2.gz LFMNQJNWLNQUSV-OAGGEKHMSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251379 841755609 /nfs/dbraw/zinc/75/56/09/841755609.db2.gz LFMNQJNWLNQUSV-OAGGEKHMSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251379 841755616 /nfs/dbraw/zinc/75/56/16/841755616.db2.gz LFMNQJNWLNQUSV-OAGGEKHMSA-N 2 2 364.515 0.857 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084602418 841838952 /nfs/dbraw/zinc/83/89/52/841838952.db2.gz NBDLQWLEERMYSU-NXHRZFHOSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084602418 841838959 /nfs/dbraw/zinc/83/89/59/841838959.db2.gz NBDLQWLEERMYSU-NXHRZFHOSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084602418 841838964 /nfs/dbraw/zinc/83/89/64/841838964.db2.gz NBDLQWLEERMYSU-NXHRZFHOSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084602418 841838970 /nfs/dbraw/zinc/83/89/70/841838970.db2.gz NBDLQWLEERMYSU-NXHRZFHOSA-N 2 2 351.491 0.545 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242375 842053786 /nfs/dbraw/zinc/05/37/86/842053786.db2.gz PBQBROUUOUJTGU-XKVFNRALSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242375 842053800 /nfs/dbraw/zinc/05/38/00/842053800.db2.gz PBQBROUUOUJTGU-XKVFNRALSA-N 2 2 351.451 0.614 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085332378 842079328 /nfs/dbraw/zinc/07/93/28/842079328.db2.gz VIKQWBALFXOMSK-BFHYXJOUSA-N 2 2 350.467 0.110 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085332378 842079342 /nfs/dbraw/zinc/07/93/42/842079342.db2.gz VIKQWBALFXOMSK-BFHYXJOUSA-N 2 2 350.467 0.110 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085332379 842079575 /nfs/dbraw/zinc/07/95/75/842079575.db2.gz VIKQWBALFXOMSK-MGPQQGTHSA-N 2 2 350.467 0.110 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085332379 842079589 /nfs/dbraw/zinc/07/95/89/842079589.db2.gz VIKQWBALFXOMSK-MGPQQGTHSA-N 2 2 350.467 0.110 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001085345644 842080047 /nfs/dbraw/zinc/08/00/47/842080047.db2.gz ISUQIMKOCBKLRR-NUEKZKHPSA-N 2 2 368.503 0.794 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001085345505 842080805 /nfs/dbraw/zinc/08/08/05/842080805.db2.gz BOACLOLTTOHBGY-NUEKZKHPSA-N 2 2 368.503 0.794 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001086119798 842121634 /nfs/dbraw/zinc/12/16/34/842121634.db2.gz ANRUPGSWDRVQNU-NFFDBFGFSA-N 2 2 369.897 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001086119798 842121642 /nfs/dbraw/zinc/12/16/42/842121642.db2.gz ANRUPGSWDRVQNU-NFFDBFGFSA-N 2 2 369.897 0.777 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001086880376 842189762 /nfs/dbraw/zinc/18/97/62/842189762.db2.gz XBLDFFSWDRKUDA-RRFJBIMHSA-N 2 2 367.519 0.942 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001086880376 842189767 /nfs/dbraw/zinc/18/97/67/842189767.db2.gz XBLDFFSWDRKUDA-RRFJBIMHSA-N 2 2 367.519 0.942 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087049333 842244733 /nfs/dbraw/zinc/24/47/33/842244733.db2.gz BMBOSWDBLAABJX-TZMCWYRMSA-N 2 2 364.475 0.847 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001087088115 842280740 /nfs/dbraw/zinc/28/07/40/842280740.db2.gz KJLPFRTXXJPINJ-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087101366 842290849 /nfs/dbraw/zinc/29/08/49/842290849.db2.gz HXAXVMHYNLRYIO-ZIAGYGMSSA-N 2 2 364.475 0.696 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087103543 842292919 /nfs/dbraw/zinc/29/29/19/842292919.db2.gz MTPCJKSJHPTLJB-TZMCWYRMSA-N 2 2 350.448 0.388 20 0 FCADLP CSc1nccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001276051933 861305124 /nfs/dbraw/zinc/30/51/24/861305124.db2.gz CUWIIDABRCJHHX-QGZVFWFLSA-N 2 2 365.503 0.563 20 0 FCADLP CSc1nccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)n1 ZINC001276051933 861305142 /nfs/dbraw/zinc/30/51/42/861305142.db2.gz CUWIIDABRCJHHX-QGZVFWFLSA-N 2 2 365.503 0.563 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087798080 842433725 /nfs/dbraw/zinc/43/37/25/842433725.db2.gz ZYOQKMQSKAKKGS-VNQPRFMTSA-N 2 2 368.503 0.366 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087798080 842433730 /nfs/dbraw/zinc/43/37/30/842433730.db2.gz ZYOQKMQSKAKKGS-VNQPRFMTSA-N 2 2 368.503 0.366 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)CC[C@@H]2C1 ZINC001088052972 842518787 /nfs/dbraw/zinc/51/87/87/842518787.db2.gz OTZPKNFDYRWKQE-SQNIBIBYSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC)CC[C@@H]2C1 ZINC001088052972 842518793 /nfs/dbraw/zinc/51/87/93/842518793.db2.gz OTZPKNFDYRWKQE-SQNIBIBYSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC)CC[C@@H]2C1 ZINC001088052972 842518801 /nfs/dbraw/zinc/51/88/01/842518801.db2.gz OTZPKNFDYRWKQE-SQNIBIBYSA-N 2 2 353.507 0.914 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOC)CC[C@@H]2C1 ZINC001088052972 842518806 /nfs/dbraw/zinc/51/88/06/842518806.db2.gz OTZPKNFDYRWKQE-SQNIBIBYSA-N 2 2 353.507 0.914 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693080 842653186 /nfs/dbraw/zinc/65/31/86/842653186.db2.gz KNWYOSNTPIGTRD-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693080 842653192 /nfs/dbraw/zinc/65/31/92/842653192.db2.gz KNWYOSNTPIGTRD-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693080 842653197 /nfs/dbraw/zinc/65/31/97/842653197.db2.gz KNWYOSNTPIGTRD-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1C ZINC001088693080 842653199 /nfs/dbraw/zinc/65/31/99/842653199.db2.gz KNWYOSNTPIGTRD-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088703067 842655531 /nfs/dbraw/zinc/65/55/31/842655531.db2.gz ZKHKVDQULDQHHV-OAGGEKHMSA-N 2 2 369.531 0.629 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088703067 842655534 /nfs/dbraw/zinc/65/55/34/842655534.db2.gz ZKHKVDQULDQHHV-OAGGEKHMSA-N 2 2 369.531 0.629 20 0 FCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214559 861356471 /nfs/dbraw/zinc/35/64/71/861356471.db2.gz YZWIBVLDEBUBPT-ZNMIVQPWSA-N 2 2 352.479 0.700 20 0 FCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214559 861356490 /nfs/dbraw/zinc/35/64/90/861356490.db2.gz YZWIBVLDEBUBPT-ZNMIVQPWSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214559 861356504 /nfs/dbraw/zinc/35/65/04/861356504.db2.gz YZWIBVLDEBUBPT-ZNMIVQPWSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001276214559 861356515 /nfs/dbraw/zinc/35/65/15/861356515.db2.gz YZWIBVLDEBUBPT-ZNMIVQPWSA-N 2 2 352.479 0.700 20 0 FCADLP Cc1nc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001091097308 842961779 /nfs/dbraw/zinc/96/17/79/842961779.db2.gz OIVLWPAPLJULJE-SWAAJBHPSA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001091097308 842961780 /nfs/dbraw/zinc/96/17/80/842961780.db2.gz OIVLWPAPLJULJE-SWAAJBHPSA-N 2 2 350.463 0.995 20 0 FCADLP CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@]2(C)C1 ZINC001091873643 843119002 /nfs/dbraw/zinc/11/90/02/843119002.db2.gz CZHFHSJDVZNVBY-VXNCWWDNSA-N 2 2 351.491 0.666 20 0 FCADLP CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@]2(C)C1 ZINC001091873643 843119010 /nfs/dbraw/zinc/11/90/10/843119010.db2.gz CZHFHSJDVZNVBY-VXNCWWDNSA-N 2 2 351.491 0.666 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523974 843230168 /nfs/dbraw/zinc/23/01/68/843230168.db2.gz PXIQWLQZFWDXKB-BNOWGMLFSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523974 843230180 /nfs/dbraw/zinc/23/01/80/843230180.db2.gz PXIQWLQZFWDXKB-BNOWGMLFSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523974 843230191 /nfs/dbraw/zinc/23/01/91/843230191.db2.gz PXIQWLQZFWDXKB-BNOWGMLFSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523974 843230200 /nfs/dbraw/zinc/23/02/00/843230200.db2.gz PXIQWLQZFWDXKB-BNOWGMLFSA-N 2 2 353.492 0.361 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211235 843409014 /nfs/dbraw/zinc/40/90/14/843409014.db2.gz BNKKDKXUKIBUQJ-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211235 843409021 /nfs/dbraw/zinc/40/90/21/843409021.db2.gz BNKKDKXUKIBUQJ-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211235 843409026 /nfs/dbraw/zinc/40/90/26/843409026.db2.gz BNKKDKXUKIBUQJ-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)C1 ZINC001093211235 843409030 /nfs/dbraw/zinc/40/90/30/843409030.db2.gz BNKKDKXUKIBUQJ-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001093857394 843480008 /nfs/dbraw/zinc/48/00/08/843480008.db2.gz CBOGDZNWDKUSFL-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001093857394 843480016 /nfs/dbraw/zinc/48/00/16/843480016.db2.gz CBOGDZNWDKUSFL-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001096545605 843799943 /nfs/dbraw/zinc/79/99/43/843799943.db2.gz HRGHYVQJABTEES-YVSFHVDLSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001096545605 843799956 /nfs/dbraw/zinc/79/99/56/843799956.db2.gz HRGHYVQJABTEES-YVSFHVDLSA-N 2 2 369.531 0.629 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001096914367 843832242 /nfs/dbraw/zinc/83/22/42/843832242.db2.gz QTCHAEWLPJSMKL-DMRZNYOFSA-N 2 2 350.488 0.738 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001096914367 843832246 /nfs/dbraw/zinc/83/22/46/843832246.db2.gz QTCHAEWLPJSMKL-DMRZNYOFSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccns2)C1 ZINC001096914367 843832254 /nfs/dbraw/zinc/83/22/54/843832254.db2.gz QTCHAEWLPJSMKL-DMRZNYOFSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccns2)C1 ZINC001096914367 843832266 /nfs/dbraw/zinc/83/22/66/843832266.db2.gz QTCHAEWLPJSMKL-DMRZNYOFSA-N 2 2 350.488 0.738 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001099162644 843967197 /nfs/dbraw/zinc/96/71/97/843967197.db2.gz OBYWCELNMNMULM-BQFCYCMXSA-N 2 2 369.531 0.488 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001099162644 843967198 /nfs/dbraw/zinc/96/71/98/843967198.db2.gz OBYWCELNMNMULM-BQFCYCMXSA-N 2 2 369.531 0.488 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001099183692 843968486 /nfs/dbraw/zinc/96/84/86/843968486.db2.gz PHOJGADSHAXVBK-VYDXJSESSA-N 2 2 366.487 0.289 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001099183692 843968493 /nfs/dbraw/zinc/96/84/93/843968493.db2.gz PHOJGADSHAXVBK-VYDXJSESSA-N 2 2 366.487 0.289 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223258 843979382 /nfs/dbraw/zinc/97/93/82/843979382.db2.gz LSSYFVQRDRURAE-UPJWGTAASA-N 2 2 359.396 0.993 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223258 843979387 /nfs/dbraw/zinc/97/93/87/843979387.db2.gz LSSYFVQRDRURAE-UPJWGTAASA-N 2 2 359.396 0.993 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099287912 844005126 /nfs/dbraw/zinc/00/51/26/844005126.db2.gz UDEZDTPULIEWSD-IJLUTSLNSA-N 2 2 361.368 0.516 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)no1 ZINC001102819602 844652541 /nfs/dbraw/zinc/65/25/41/844652541.db2.gz WXZKODIQHNKWGA-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)no1 ZINC001102819602 844652548 /nfs/dbraw/zinc/65/25/48/844652548.db2.gz WXZKODIQHNKWGA-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)no1 ZINC001102819602 844652553 /nfs/dbraw/zinc/65/25/53/844652553.db2.gz WXZKODIQHNKWGA-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)no1 ZINC001102819602 844652562 /nfs/dbraw/zinc/65/25/62/844652562.db2.gz WXZKODIQHNKWGA-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138655 844707596 /nfs/dbraw/zinc/70/75/96/844707596.db2.gz XHNQBOTURLVYBV-KBUPBQIOSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138655 844707603 /nfs/dbraw/zinc/70/76/03/844707603.db2.gz XHNQBOTURLVYBV-KBUPBQIOSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2nncs2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103138655 844707610 /nfs/dbraw/zinc/70/76/10/844707610.db2.gz XHNQBOTURLVYBV-KBUPBQIOSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2nncs2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103138655 844707615 /nfs/dbraw/zinc/70/76/15/844707615.db2.gz XHNQBOTURLVYBV-KBUPBQIOSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536954 844775723 /nfs/dbraw/zinc/77/57/23/844775723.db2.gz KKRUXGSIZHGMQR-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103536954 844775724 /nfs/dbraw/zinc/77/57/24/844775724.db2.gz KKRUXGSIZHGMQR-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643932 844793499 /nfs/dbraw/zinc/79/34/99/844793499.db2.gz XSCMWGCUVZRLCX-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643932 844793503 /nfs/dbraw/zinc/79/35/03/844793503.db2.gz XSCMWGCUVZRLCX-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103676989 844797343 /nfs/dbraw/zinc/79/73/43/844797343.db2.gz DTGAOXGDTUUVSV-TZMCWYRMSA-N 2 2 356.492 0.379 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103676989 844797351 /nfs/dbraw/zinc/79/73/51/844797351.db2.gz DTGAOXGDTUUVSV-TZMCWYRMSA-N 2 2 356.492 0.379 20 0 FCADLP CCC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103662873 844797584 /nfs/dbraw/zinc/79/75/84/844797584.db2.gz XYBYZCRKIOARQP-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103662873 844797595 /nfs/dbraw/zinc/79/75/95/844797595.db2.gz XYBYZCRKIOARQP-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103662873 844797605 /nfs/dbraw/zinc/79/76/05/844797605.db2.gz XYBYZCRKIOARQP-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103662873 844797612 /nfs/dbraw/zinc/79/76/12/844797612.db2.gz XYBYZCRKIOARQP-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104033656 844855838 /nfs/dbraw/zinc/85/58/38/844855838.db2.gz BKKUKINPKXKMEM-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104033656 844855841 /nfs/dbraw/zinc/85/58/41/844855841.db2.gz BKKUKINPKXKMEM-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP Cc1nc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)co1 ZINC001104034020 844855941 /nfs/dbraw/zinc/85/59/41/844855941.db2.gz PMEMNHFPENRTHB-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)co1 ZINC001104034020 844855949 /nfs/dbraw/zinc/85/59/49/844855949.db2.gz PMEMNHFPENRTHB-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104274518 844889355 /nfs/dbraw/zinc/88/93/55/844889355.db2.gz QXMCJBKOKFFIKM-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104274518 844889365 /nfs/dbraw/zinc/88/93/65/844889365.db2.gz QXMCJBKOKFFIKM-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104732291 844936388 /nfs/dbraw/zinc/93/63/88/844936388.db2.gz RUDAOZDXTGZACX-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001105101971 844980767 /nfs/dbraw/zinc/98/07/67/844980767.db2.gz SAAZCDKYHPNKFP-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655352 845010197 /nfs/dbraw/zinc/01/01/97/845010197.db2.gz HRRQVAGGESPVMW-AHCXZYCDSA-N 2 2 350.463 0.565 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105674579 845016975 /nfs/dbraw/zinc/01/69/75/845016975.db2.gz ZTHAUIZAGNSRQD-JOCBIADPSA-N 2 2 350.463 0.232 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710231 845230578 /nfs/dbraw/zinc/23/05/78/845230578.db2.gz BWFFWVCYGADRCN-QLFBSQMISA-N 2 2 356.492 0.563 20 0 FCADLP 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845928956 /nfs/dbraw/zinc/92/89/56/845928956.db2.gz FXDDPHFEYOTNGV-QXSJWSMHSA-N 2 2 354.470 0.666 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001110662696 845943259 /nfs/dbraw/zinc/94/32/59/845943259.db2.gz QMRFBZFOIGVKDI-PNBKFKSVSA-N 2 2 350.507 0.963 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001110662696 845943264 /nfs/dbraw/zinc/94/32/64/845943264.db2.gz QMRFBZFOIGVKDI-PNBKFKSVSA-N 2 2 350.507 0.963 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671029 845944143 /nfs/dbraw/zinc/94/41/43/845944143.db2.gz OEMNDMCZYVWZOT-SVGFKBNWSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671029 845944153 /nfs/dbraw/zinc/94/41/53/845944153.db2.gz OEMNDMCZYVWZOT-SVGFKBNWSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671029 845944156 /nfs/dbraw/zinc/94/41/56/845944156.db2.gz OEMNDMCZYVWZOT-SVGFKBNWSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001110671029 845944158 /nfs/dbraw/zinc/94/41/58/845944158.db2.gz OEMNDMCZYVWZOT-SVGFKBNWSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001110693535 845949077 /nfs/dbraw/zinc/94/90/77/845949077.db2.gz MWRKVRACJVSQAM-CBZIJGRNSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001110693535 845949086 /nfs/dbraw/zinc/94/90/86/845949086.db2.gz MWRKVRACJVSQAM-CBZIJGRNSA-N 2 2 350.507 0.820 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001110736746 845963169 /nfs/dbraw/zinc/96/31/69/845963169.db2.gz LHZGHQFQOIFMAS-KFWWJZLASA-N 2 2 374.551 0.330 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001110736746 845963173 /nfs/dbraw/zinc/96/31/73/845963173.db2.gz LHZGHQFQOIFMAS-KFWWJZLASA-N 2 2 374.551 0.330 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001110736746 845963177 /nfs/dbraw/zinc/96/31/77/845963177.db2.gz LHZGHQFQOIFMAS-KFWWJZLASA-N 2 2 374.551 0.330 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001110736746 845963179 /nfs/dbraw/zinc/96/31/79/845963179.db2.gz LHZGHQFQOIFMAS-KFWWJZLASA-N 2 2 374.551 0.330 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959558 846002307 /nfs/dbraw/zinc/00/23/07/846002307.db2.gz QOTOFYOGQYHWNO-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959558 846002316 /nfs/dbraw/zinc/00/23/16/846002316.db2.gz QOTOFYOGQYHWNO-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956558 846002375 /nfs/dbraw/zinc/00/23/75/846002375.db2.gz ONPNMVJUMSZWPF-OAGGEKHMSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956558 846002380 /nfs/dbraw/zinc/00/23/80/846002380.db2.gz ONPNMVJUMSZWPF-OAGGEKHMSA-N 2 2 350.507 0.822 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001111028522 846019268 /nfs/dbraw/zinc/01/92/68/846019268.db2.gz CTWBRLRNQZVORV-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001111028522 846019277 /nfs/dbraw/zinc/01/92/77/846019277.db2.gz CTWBRLRNQZVORV-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001111028522 846019282 /nfs/dbraw/zinc/01/92/82/846019282.db2.gz CTWBRLRNQZVORV-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CC1)CC(C)(C)C ZINC001111028522 846019292 /nfs/dbraw/zinc/01/92/92/846019292.db2.gz CTWBRLRNQZVORV-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001111036300 846020661 /nfs/dbraw/zinc/02/06/61/846020661.db2.gz VFCSAURPCUMAID-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001111036300 846020672 /nfs/dbraw/zinc/02/06/72/846020672.db2.gz VFCSAURPCUMAID-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275418 846075202 /nfs/dbraw/zinc/07/52/02/846075202.db2.gz VYIWVVJHLLISSG-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275418 846075211 /nfs/dbraw/zinc/07/52/11/846075211.db2.gz VYIWVVJHLLISSG-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111275418 846075220 /nfs/dbraw/zinc/07/52/20/846075220.db2.gz VYIWVVJHLLISSG-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111275418 846075225 /nfs/dbraw/zinc/07/52/25/846075225.db2.gz VYIWVVJHLLISSG-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(C)(=O)=O ZINC001111307694 846081404 /nfs/dbraw/zinc/08/14/04/846081404.db2.gz RORIJKSHKQEEQR-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(C)(=O)=O ZINC001111307694 846081410 /nfs/dbraw/zinc/08/14/10/846081410.db2.gz RORIJKSHKQEEQR-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(C)(=O)=O ZINC001111307694 846081414 /nfs/dbraw/zinc/08/14/14/846081414.db2.gz RORIJKSHKQEEQR-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(C)(=O)=O ZINC001111307694 846081421 /nfs/dbraw/zinc/08/14/21/846081421.db2.gz RORIJKSHKQEEQR-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111310783 846083990 /nfs/dbraw/zinc/08/39/90/846083990.db2.gz WJFMZGJABBGAFZ-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111310783 846083999 /nfs/dbraw/zinc/08/39/99/846083999.db2.gz WJFMZGJABBGAFZ-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111310783 846084006 /nfs/dbraw/zinc/08/40/06/846084006.db2.gz WJFMZGJABBGAFZ-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111310783 846084013 /nfs/dbraw/zinc/08/40/13/846084013.db2.gz WJFMZGJABBGAFZ-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154694 846422463 /nfs/dbraw/zinc/42/24/63/846422463.db2.gz XMPBDAUFRVWGPZ-VXGBXAGGSA-N 2 2 362.400 0.636 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171414 846433249 /nfs/dbraw/zinc/43/32/49/846433249.db2.gz HXBPJJRXNNDLEX-VXGBXAGGSA-N 2 2 361.368 0.409 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112178886 846439612 /nfs/dbraw/zinc/43/96/12/846439612.db2.gz JLLWISUAPYODGW-VXGBXAGGSA-N 2 2 361.368 0.436 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112193034 846451502 /nfs/dbraw/zinc/45/15/02/846451502.db2.gz HGJIRJOERFHSKO-VXGBXAGGSA-N 2 2 361.368 0.078 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503355 846509348 /nfs/dbraw/zinc/50/93/48/846509348.db2.gz MBXUHHCTAHMEKF-BQFCYCMXSA-N 2 2 350.463 0.499 20 0 FCADLP C[C@@H](O)CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)CO ZINC001116719671 846745806 /nfs/dbraw/zinc/74/58/06/846745806.db2.gz NPMCXQMISHTTGF-LSDHHAIUSA-N 2 2 356.511 0.318 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC001116723645 846748184 /nfs/dbraw/zinc/74/81/84/846748184.db2.gz HNAAXPPVONIYLJ-HOTGVXAUSA-N 2 2 362.536 0.653 20 0 FCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC001116723645 846748187 /nfs/dbraw/zinc/74/81/87/846748187.db2.gz HNAAXPPVONIYLJ-HOTGVXAUSA-N 2 2 362.536 0.653 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020413 848059022 /nfs/dbraw/zinc/05/90/22/848059022.db2.gz RZQCJRDDWJUBPQ-DOTOQJQBSA-N 2 2 356.536 0.835 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020413 848059024 /nfs/dbraw/zinc/05/90/24/848059024.db2.gz RZQCJRDDWJUBPQ-DOTOQJQBSA-N 2 2 356.536 0.835 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)CN1CC[NH+]1CCOCC1 ZINC001120496193 848220805 /nfs/dbraw/zinc/22/08/05/848220805.db2.gz XPWVSHOQZFJDMR-DLBZAZTESA-N 2 2 367.877 0.896 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C[NH+]1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001120608060 848253524 /nfs/dbraw/zinc/25/35/24/848253524.db2.gz KZGLYLUAHPWNSA-GOSISDBHSA-N 2 2 355.523 0.944 20 0 FCADLP CSCC[C@H]([NH3+])CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001121982192 848429130 /nfs/dbraw/zinc/42/91/30/848429130.db2.gz PVQGOMSOUWFADJ-LBPRGKRZSA-N 2 2 363.491 0.482 20 0 FCADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1CO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001122125257 848451753 /nfs/dbraw/zinc/45/17/53/848451753.db2.gz ZZYRINYFFUMKRF-YOEHRIQHSA-N 2 2 350.438 0.129 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830217 848777984 /nfs/dbraw/zinc/77/79/84/848777984.db2.gz OTHFFUXUQONXNK-OAGGEKHMSA-N 2 2 350.467 0.139 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830217 848777985 /nfs/dbraw/zinc/77/79/85/848777985.db2.gz OTHFFUXUQONXNK-OAGGEKHMSA-N 2 2 350.467 0.139 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830217 848777992 /nfs/dbraw/zinc/77/79/92/848777992.db2.gz OTHFFUXUQONXNK-OAGGEKHMSA-N 2 2 350.467 0.139 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830217 848777998 /nfs/dbraw/zinc/77/79/98/848777998.db2.gz OTHFFUXUQONXNK-OAGGEKHMSA-N 2 2 350.467 0.139 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851427 848779833 /nfs/dbraw/zinc/77/98/33/848779833.db2.gz MMJDYKNXHPIKGP-OWCLPIDISA-N 2 2 350.467 0.140 20 0 FCADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851427 848779840 /nfs/dbraw/zinc/77/98/40/848779840.db2.gz MMJDYKNXHPIKGP-OWCLPIDISA-N 2 2 350.467 0.140 20 0 FCADLP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851427 848779849 /nfs/dbraw/zinc/77/98/49/848779849.db2.gz MMJDYKNXHPIKGP-OWCLPIDISA-N 2 2 350.467 0.140 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053128 848801584 /nfs/dbraw/zinc/80/15/84/848801584.db2.gz RYNGCIALZSJECW-QTZUMHMESA-N 2 2 352.870 0.712 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053128 848801598 /nfs/dbraw/zinc/80/15/98/848801598.db2.gz RYNGCIALZSJECW-QTZUMHMESA-N 2 2 352.870 0.712 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129407243 848841771 /nfs/dbraw/zinc/84/17/71/848841771.db2.gz KBGHNINIRNYUIK-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129407243 848841779 /nfs/dbraw/zinc/84/17/79/848841779.db2.gz KBGHNINIRNYUIK-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129407243 848841786 /nfs/dbraw/zinc/84/17/86/848841786.db2.gz KBGHNINIRNYUIK-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129407243 848841794 /nfs/dbraw/zinc/84/17/94/848841794.db2.gz KBGHNINIRNYUIK-CABCVRRESA-N 2 2 363.491 0.618 20 0 FCADLP CN(Cc1ccsc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129901087 848912022 /nfs/dbraw/zinc/91/20/22/848912022.db2.gz QSCXIDGJBXOYDI-ZIAGYGMSSA-N 2 2 361.471 0.939 20 0 FCADLP CO[C@@H](C)c1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC001130184120 848961482 /nfs/dbraw/zinc/96/14/82/848961482.db2.gz BGBXXIVKDSWMOK-MBNYWOFBSA-N 2 2 356.492 0.775 20 0 FCADLP CO[C@@H](C)c1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC001130184120 848961485 /nfs/dbraw/zinc/96/14/85/848961485.db2.gz BGBXXIVKDSWMOK-MBNYWOFBSA-N 2 2 356.492 0.775 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130820587 849049531 /nfs/dbraw/zinc/04/95/31/849049531.db2.gz ZGICPSJMMDGZBZ-QWHCGFSZSA-N 2 2 356.446 0.540 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130820587 849049536 /nfs/dbraw/zinc/04/95/36/849049536.db2.gz ZGICPSJMMDGZBZ-QWHCGFSZSA-N 2 2 356.446 0.540 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131573299 849125634 /nfs/dbraw/zinc/12/56/34/849125634.db2.gz WBCRSAOLSKVGJE-XCRHUMRWSA-N 2 2 350.463 0.973 20 0 FCADLP O=C(NCC[NH2+]CC1CC(F)(F)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614161 849131502 /nfs/dbraw/zinc/13/15/02/849131502.db2.gz ZZQZEYYGQYHANR-CABCVRRESA-N 2 2 361.433 0.617 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccs1 ZINC001134042641 849169999 /nfs/dbraw/zinc/16/99/99/849169999.db2.gz KACHJUHLKLHOFI-ZIAGYGMSSA-N 2 2 361.471 0.607 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC(N4CC[NH+](C)CC4)C3)s2)CC1 ZINC001139326023 849337083 /nfs/dbraw/zinc/33/70/83/849337083.db2.gz KHIUYERMPJJYSK-UHFFFAOYSA-N 2 2 350.536 0.327 20 0 FCADLP CCN(CCn1cc[nH+]c1)c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157459937 849973782 /nfs/dbraw/zinc/97/37/82/849973782.db2.gz NVDVJAGMNQQDDO-UHFFFAOYSA-N 2 2 364.475 0.291 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC001157999095 850010947 /nfs/dbraw/zinc/01/09/47/850010947.db2.gz OFLVFDXMHACVET-STQMWFEESA-N 2 2 370.247 0.812 20 0 FCADLP CN1CCOc2c(Cl)nnc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)c21 ZINC001158266158 850031885 /nfs/dbraw/zinc/03/18/85/850031885.db2.gz AGCIYTXQOXBVSO-LLVKDONJSA-N 2 2 352.870 0.960 20 0 FCADLP CN1CCOc2c(Cl)nnc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)c21 ZINC001158266158 850031896 /nfs/dbraw/zinc/03/18/96/850031896.db2.gz AGCIYTXQOXBVSO-LLVKDONJSA-N 2 2 352.870 0.960 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001159077337 850095045 /nfs/dbraw/zinc/09/50/45/850095045.db2.gz OUENYESKXXZVIT-MKBNYLNASA-N 2 2 363.405 0.224 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834273 850139465 /nfs/dbraw/zinc/13/94/65/850139465.db2.gz UODOINIOFYUXRN-ZBFHGGJFSA-N 3 2 363.531 0.908 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834273 850139470 /nfs/dbraw/zinc/13/94/70/850139470.db2.gz UODOINIOFYUXRN-ZBFHGGJFSA-N 3 2 363.531 0.908 20 0 FCADLP CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001160148407 850155018 /nfs/dbraw/zinc/15/50/18/850155018.db2.gz SIHVRXTXRBMBOK-AAEUAGOBSA-N 2 2 365.503 0.145 20 0 FCADLP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160585427 850183163 /nfs/dbraw/zinc/18/31/63/850183163.db2.gz KSJHWGCFAWVYSE-QRJUGERDSA-N 2 2 350.507 0.855 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001160577032 850183328 /nfs/dbraw/zinc/18/33/28/850183328.db2.gz DPOPTFQLMLFNDE-AWEZNQCLSA-N 2 2 357.520 0.344 20 0 FCADLP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160688690 850191067 /nfs/dbraw/zinc/19/10/67/850191067.db2.gz FJKDXSBQBQKFFZ-UONOGXRCSA-N 2 2 366.487 0.530 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795474 862101255 /nfs/dbraw/zinc/10/12/55/862101255.db2.gz XKMKCSNPCCRGNR-WMZOPIPTSA-N 2 2 350.463 0.773 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795474 862101260 /nfs/dbraw/zinc/10/12/60/862101260.db2.gz XKMKCSNPCCRGNR-WMZOPIPTSA-N 2 2 350.463 0.773 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]cn1 ZINC001160740683 850196591 /nfs/dbraw/zinc/19/65/91/850196591.db2.gz AAGSAXMITWYYIL-VWYCJHECSA-N 2 2 358.368 0.883 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc[nH+]1 ZINC001160740683 850196595 /nfs/dbraw/zinc/19/65/95/850196595.db2.gz AAGSAXMITWYYIL-VWYCJHECSA-N 2 2 358.368 0.883 20 0 FCADLP [NH3+]C[C@@H](O)CC(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161514106 850266470 /nfs/dbraw/zinc/26/64/70/850266470.db2.gz KWWDJFKFKIIZMM-INIZCTEOSA-N 2 2 351.422 0.643 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](C[C@H](C)O)CC1 ZINC001162315610 850308517 /nfs/dbraw/zinc/30/85/17/850308517.db2.gz UCSGKEJZLKMQQB-RRFJBIMHSA-N 2 2 350.463 0.739 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](C[C@H](C)O)CC1 ZINC001162315610 850308523 /nfs/dbraw/zinc/30/85/23/850308523.db2.gz UCSGKEJZLKMQQB-RRFJBIMHSA-N 2 2 350.463 0.739 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCN([C@@H](C)C(C)=O)C2=O)CC1 ZINC001277837502 862124454 /nfs/dbraw/zinc/12/44/54/862124454.db2.gz YUZVMFLUQUSQKL-DOTOQJQBSA-N 2 2 353.507 0.981 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837495 862124518 /nfs/dbraw/zinc/12/45/18/862124518.db2.gz YSVOZSOBRXKJNM-PKOBYXMFSA-N 2 2 353.507 0.959 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837495 862124522 /nfs/dbraw/zinc/12/45/22/862124522.db2.gz YSVOZSOBRXKJNM-PKOBYXMFSA-N 2 2 353.507 0.959 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001166960956 850515567 /nfs/dbraw/zinc/51/55/67/850515567.db2.gz LILZFGKMPAHCDX-MGPQQGTHSA-N 2 2 354.476 0.054 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001169253270 850610269 /nfs/dbraw/zinc/61/02/69/850610269.db2.gz ANGDMQWYZLYRMW-LJQANCHMSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)CC1 ZINC001169253270 850610275 /nfs/dbraw/zinc/61/02/75/850610275.db2.gz ANGDMQWYZLYRMW-LJQANCHMSA-N 2 2 350.507 0.873 20 0 FCADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)CC1 ZINC001172252878 850708371 /nfs/dbraw/zinc/70/83/71/850708371.db2.gz XPZVJZQHRXXTET-WBVHZDCISA-N 2 2 359.536 0.843 20 0 FCADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)CC1 ZINC001172252878 850708379 /nfs/dbraw/zinc/70/83/79/850708379.db2.gz XPZVJZQHRXXTET-WBVHZDCISA-N 2 2 359.536 0.843 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173748949 850735443 /nfs/dbraw/zinc/73/54/43/850735443.db2.gz WIZOBAZXZJDFSD-MQYQWHSLSA-N 2 2 351.455 0.693 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc3n(n2)CCC[N@H+](C)C3)O1 ZINC001175105424 850753347 /nfs/dbraw/zinc/75/33/47/850753347.db2.gz YXRIZWLINDRTGR-BFYDXBDKSA-N 2 2 351.451 0.173 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc3n(n2)CCC[N@@H+](C)C3)O1 ZINC001175105424 850753357 /nfs/dbraw/zinc/75/33/57/850753357.db2.gz YXRIZWLINDRTGR-BFYDXBDKSA-N 2 2 351.451 0.173 20 0 FCADLP C[C@@H](CCCC[NH2+]CCOCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360097 850763019 /nfs/dbraw/zinc/76/30/19/850763019.db2.gz YIPCIAVZJVKKDS-ARFHVFGLSA-N 2 2 352.479 0.797 20 0 FCADLP CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178751965 850925994 /nfs/dbraw/zinc/92/59/94/850925994.db2.gz CNDHLUSFQJYKTF-ZIAGYGMSSA-N 2 2 371.507 0.329 20 0 FCADLP CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178751965 850925996 /nfs/dbraw/zinc/92/59/96/850925996.db2.gz CNDHLUSFQJYKTF-ZIAGYGMSSA-N 2 2 371.507 0.329 20 0 FCADLP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001183403607 851245624 /nfs/dbraw/zinc/24/56/24/851245624.db2.gz QVFQAUKZOUHUOL-MGPQQGTHSA-N 2 2 366.487 0.529 20 0 FCADLP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001183403607 851245639 /nfs/dbraw/zinc/24/56/39/851245639.db2.gz QVFQAUKZOUHUOL-MGPQQGTHSA-N 2 2 366.487 0.529 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001184469702 851310076 /nfs/dbraw/zinc/31/00/76/851310076.db2.gz OZIYNLXCTXGBNY-YPJKBQRRSA-N 2 2 357.882 0.809 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188213591 851658478 /nfs/dbraw/zinc/65/84/78/851658478.db2.gz YPPYVUGHQVZJJE-DOTOQJQBSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188213591 851658484 /nfs/dbraw/zinc/65/84/84/851658484.db2.gz YPPYVUGHQVZJJE-DOTOQJQBSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188213591 851658487 /nfs/dbraw/zinc/65/84/87/851658487.db2.gz YPPYVUGHQVZJJE-DOTOQJQBSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188213591 851658491 /nfs/dbraw/zinc/65/84/91/851658491.db2.gz YPPYVUGHQVZJJE-DOTOQJQBSA-N 2 2 371.547 0.828 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001188561361 851709273 /nfs/dbraw/zinc/70/92/73/851709273.db2.gz BGILNGUNCXGMQS-CWRNSKLLSA-N 2 2 368.503 0.405 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001188561361 851709280 /nfs/dbraw/zinc/70/92/80/851709280.db2.gz BGILNGUNCXGMQS-CWRNSKLLSA-N 2 2 368.503 0.405 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126347 851754139 /nfs/dbraw/zinc/75/41/39/851754139.db2.gz FMDNLTPAZPXMHO-YESZJQIVSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126347 851754146 /nfs/dbraw/zinc/75/41/46/851754146.db2.gz FMDNLTPAZPXMHO-YESZJQIVSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126347 851754159 /nfs/dbraw/zinc/75/41/59/851754159.db2.gz FMDNLTPAZPXMHO-YESZJQIVSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126347 851754172 /nfs/dbraw/zinc/75/41/72/851754172.db2.gz FMDNLTPAZPXMHO-YESZJQIVSA-N 2 2 350.507 0.777 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312492 851777681 /nfs/dbraw/zinc/77/76/81/851777681.db2.gz RTGJUIPHEYCKHN-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312492 851777686 /nfs/dbraw/zinc/77/76/86/851777686.db2.gz RTGJUIPHEYCKHN-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)on1 ZINC001189811191 851827097 /nfs/dbraw/zinc/82/70/97/851827097.db2.gz WARWFYYHDSQIEQ-DZGCQCFKSA-N 2 2 352.435 0.294 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)on1 ZINC001189811191 851827099 /nfs/dbraw/zinc/82/70/99/851827099.db2.gz WARWFYYHDSQIEQ-DZGCQCFKSA-N 2 2 352.435 0.294 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189898206 851838817 /nfs/dbraw/zinc/83/88/17/851838817.db2.gz FOEZDNARTHHVMT-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189898206 851838822 /nfs/dbraw/zinc/83/88/22/851838822.db2.gz FOEZDNARTHHVMT-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189898206 851838825 /nfs/dbraw/zinc/83/88/25/851838825.db2.gz FOEZDNARTHHVMT-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001189898206 851838831 /nfs/dbraw/zinc/83/88/31/851838831.db2.gz FOEZDNARTHHVMT-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178332 851871047 /nfs/dbraw/zinc/87/10/47/851871047.db2.gz XHIDRQTVYGNJFV-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190178332 851871057 /nfs/dbraw/zinc/87/10/57/851871057.db2.gz XHIDRQTVYGNJFV-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O ZINC001193112426 852357342 /nfs/dbraw/zinc/35/73/42/852357342.db2.gz TYJMKNHCGSYCGF-BZUAXINKSA-N 2 2 352.479 0.983 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O ZINC001193112426 852357352 /nfs/dbraw/zinc/35/73/52/852357352.db2.gz TYJMKNHCGSYCGF-BZUAXINKSA-N 2 2 352.479 0.983 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192529 852555553 /nfs/dbraw/zinc/55/55/53/852555553.db2.gz XBIXPCWULZYKQT-DJIMGWMZSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192529 852555560 /nfs/dbraw/zinc/55/55/60/852555560.db2.gz XBIXPCWULZYKQT-DJIMGWMZSA-N 2 2 350.463 0.279 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244732 852564125 /nfs/dbraw/zinc/56/41/25/852564125.db2.gz XWPSZMMUOJAZJO-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244732 852564132 /nfs/dbraw/zinc/56/41/32/852564132.db2.gz XWPSZMMUOJAZJO-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244732 852564139 /nfs/dbraw/zinc/56/41/39/852564139.db2.gz XWPSZMMUOJAZJO-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244732 852564148 /nfs/dbraw/zinc/56/41/48/852564148.db2.gz XWPSZMMUOJAZJO-IAOVAPTHSA-N 2 2 350.463 0.411 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001194321348 852578446 /nfs/dbraw/zinc/57/84/46/852578446.db2.gz SVKJTZXCVCUYCK-RBSFLKMASA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001194321348 852578453 /nfs/dbraw/zinc/57/84/53/852578453.db2.gz SVKJTZXCVCUYCK-RBSFLKMASA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001194321348 852578456 /nfs/dbraw/zinc/57/84/56/852578456.db2.gz SVKJTZXCVCUYCK-RBSFLKMASA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001194321348 852578462 /nfs/dbraw/zinc/57/84/62/852578462.db2.gz SVKJTZXCVCUYCK-RBSFLKMASA-N 2 2 363.449 0.550 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321029 852579005 /nfs/dbraw/zinc/57/90/05/852579005.db2.gz DRHXOQRNDHYGAZ-HZPDHXFCSA-N 2 2 354.451 0.328 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321029 852579008 /nfs/dbraw/zinc/57/90/08/852579008.db2.gz DRHXOQRNDHYGAZ-HZPDHXFCSA-N 2 2 354.451 0.328 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)n3cc(C[NH3+])cnc3=N)cc2Cl)CC1 ZINC001194691713 852632828 /nfs/dbraw/zinc/63/28/28/852632828.db2.gz XBHOHWBFWSQCPH-UHFFFAOYSA-N 2 2 360.849 0.915 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195640528 852803505 /nfs/dbraw/zinc/80/35/05/852803505.db2.gz FSTOFDNXANQFCP-HZPDHXFCSA-N 2 2 353.463 0.933 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708706 852816748 /nfs/dbraw/zinc/81/67/48/852816748.db2.gz SFJLPWIAHZBFIH-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708706 852816754 /nfs/dbraw/zinc/81/67/54/852816754.db2.gz SFJLPWIAHZBFIH-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195870735 852837703 /nfs/dbraw/zinc/83/77/03/852837703.db2.gz KZTGYXDMMKMLKK-BZUAXINKSA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195870735 852837706 /nfs/dbraw/zinc/83/77/06/852837706.db2.gz KZTGYXDMMKMLKK-BZUAXINKSA-N 2 2 357.401 0.111 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001196185111 852907852 /nfs/dbraw/zinc/90/78/52/852907852.db2.gz PTCDIOJYWIWTNX-IAGOWNOFSA-N 2 2 353.507 0.696 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001196185111 852907855 /nfs/dbraw/zinc/90/78/55/852907855.db2.gz PTCDIOJYWIWTNX-IAGOWNOFSA-N 2 2 353.507 0.696 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001196185111 852907859 /nfs/dbraw/zinc/90/78/59/852907859.db2.gz PTCDIOJYWIWTNX-IAGOWNOFSA-N 2 2 353.507 0.696 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001196185111 852907862 /nfs/dbraw/zinc/90/78/62/852907862.db2.gz PTCDIOJYWIWTNX-IAGOWNOFSA-N 2 2 353.507 0.696 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O)[NH+](C)C ZINC001196267598 852928753 /nfs/dbraw/zinc/92/87/53/852928753.db2.gz DSCKESRJOZRNNG-QLFBSQMISA-N 2 2 363.487 0.693 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O)[NH+](C)C ZINC001196267598 852928757 /nfs/dbraw/zinc/92/87/57/852928757.db2.gz DSCKESRJOZRNNG-QLFBSQMISA-N 2 2 363.487 0.693 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O)C(C)C ZINC001197026002 853050331 /nfs/dbraw/zinc/05/03/31/853050331.db2.gz WKOATTVNDDUPJJ-ZACQAIPSSA-N 2 2 351.495 0.448 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197048427 853053294 /nfs/dbraw/zinc/05/32/94/853053294.db2.gz BBMOAYAPIJZDKL-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197048427 853053302 /nfs/dbraw/zinc/05/33/02/853053302.db2.gz BBMOAYAPIJZDKL-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001197950269 853190761 /nfs/dbraw/zinc/19/07/61/853190761.db2.gz YDIBZHLCZBGXHC-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001197950269 853190773 /nfs/dbraw/zinc/19/07/73/853190773.db2.gz YDIBZHLCZBGXHC-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC001198018395 853205039 /nfs/dbraw/zinc/20/50/39/853205039.db2.gz PIVXVZKIWNOBTO-UHFFFAOYSA-N 2 2 367.515 0.941 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC001198018395 853205048 /nfs/dbraw/zinc/20/50/48/853205048.db2.gz PIVXVZKIWNOBTO-UHFFFAOYSA-N 2 2 367.515 0.941 20 0 FCADLP CNS(=O)(=O)CCNC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198030606 853207645 /nfs/dbraw/zinc/20/76/45/853207645.db2.gz MGAAPEDMFVQLKT-UHFFFAOYSA-N 2 2 370.519 0.349 20 0 FCADLP CNS(=O)(=O)CCNC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198030606 853207656 /nfs/dbraw/zinc/20/76/56/853207656.db2.gz MGAAPEDMFVQLKT-UHFFFAOYSA-N 2 2 370.519 0.349 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047986 853210288 /nfs/dbraw/zinc/21/02/88/853210288.db2.gz QHXHKPUQSCHEGZ-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047986 853210293 /nfs/dbraw/zinc/21/02/93/853210293.db2.gz QHXHKPUQSCHEGZ-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047986 853210302 /nfs/dbraw/zinc/21/03/02/853210302.db2.gz QHXHKPUQSCHEGZ-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047986 853210307 /nfs/dbraw/zinc/21/03/07/853210307.db2.gz QHXHKPUQSCHEGZ-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001199105016 853371963 /nfs/dbraw/zinc/37/19/63/853371963.db2.gz YMUJDEYOXKAWQD-HUUCEWRRSA-N 2 2 363.487 0.693 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001199105016 853371974 /nfs/dbraw/zinc/37/19/74/853371974.db2.gz YMUJDEYOXKAWQD-HUUCEWRRSA-N 2 2 363.487 0.693 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001199105016 853371984 /nfs/dbraw/zinc/37/19/84/853371984.db2.gz YMUJDEYOXKAWQD-HUUCEWRRSA-N 2 2 363.487 0.693 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001199105016 853371993 /nfs/dbraw/zinc/37/19/93/853371993.db2.gz YMUJDEYOXKAWQD-HUUCEWRRSA-N 2 2 363.487 0.693 20 0 FCADLP CCOC(=O)C(F)(F)CNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199361761 853414045 /nfs/dbraw/zinc/41/40/45/853414045.db2.gz VKZQITJEZAMYSQ-UHFFFAOYSA-N 2 2 356.373 0.762 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199398062 853418682 /nfs/dbraw/zinc/41/86/82/853418682.db2.gz IDNHPRLJRJOLAB-BRWVUGGUSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001199398062 853418689 /nfs/dbraw/zinc/41/86/89/853418689.db2.gz IDNHPRLJRJOLAB-BRWVUGGUSA-N 2 2 350.463 0.641 20 0 FCADLP CC[C@@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001200478525 853500521 /nfs/dbraw/zinc/50/05/21/853500521.db2.gz XVEAJONFPADYKE-OAHLLOKOSA-N 2 2 369.579 0.830 20 0 FCADLP CC[C@@H](C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001200478525 853500525 /nfs/dbraw/zinc/50/05/25/853500525.db2.gz XVEAJONFPADYKE-OAHLLOKOSA-N 2 2 369.579 0.830 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001207135041 853789525 /nfs/dbraw/zinc/78/95/25/853789525.db2.gz UOLVPEHRGIZBIN-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001207135041 853789533 /nfs/dbraw/zinc/78/95/33/853789533.db2.gz UOLVPEHRGIZBIN-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001207135041 853789538 /nfs/dbraw/zinc/78/95/38/853789538.db2.gz UOLVPEHRGIZBIN-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001207135041 853789542 /nfs/dbraw/zinc/78/95/42/853789542.db2.gz UOLVPEHRGIZBIN-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337921 853806371 /nfs/dbraw/zinc/80/63/71/853806371.db2.gz ZEVWSNRHFPPVSR-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337921 853806375 /nfs/dbraw/zinc/80/63/75/853806375.db2.gz ZEVWSNRHFPPVSR-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337921 853806382 /nfs/dbraw/zinc/80/63/82/853806382.db2.gz ZEVWSNRHFPPVSR-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207337921 853806389 /nfs/dbraw/zinc/80/63/89/853806389.db2.gz ZEVWSNRHFPPVSR-OIISXLGYSA-N 2 2 350.507 0.824 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757418 853854462 /nfs/dbraw/zinc/85/44/62/853854462.db2.gz BJMYYRIQNGYRJE-HLLBOEOZSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757418 853854465 /nfs/dbraw/zinc/85/44/65/853854465.db2.gz BJMYYRIQNGYRJE-HLLBOEOZSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762126 853855536 /nfs/dbraw/zinc/85/55/36/853855536.db2.gz QDIGQGTWXCGEEL-BZUAXINKSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762126 853855539 /nfs/dbraw/zinc/85/55/39/853855539.db2.gz QDIGQGTWXCGEEL-BZUAXINKSA-N 2 2 350.463 0.545 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252876 853907654 /nfs/dbraw/zinc/90/76/54/853907654.db2.gz XRNTWUYIEVKMHE-RBSFLKMASA-N 2 2 354.476 0.144 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252876 853907657 /nfs/dbraw/zinc/90/76/57/853907657.db2.gz XRNTWUYIEVKMHE-RBSFLKMASA-N 2 2 354.476 0.144 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364303 853922309 /nfs/dbraw/zinc/92/23/09/853922309.db2.gz BONIWWGANUBUOB-MGPQQGTHSA-N 2 2 369.491 0.033 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364303 853922315 /nfs/dbraw/zinc/92/23/15/853922315.db2.gz BONIWWGANUBUOB-MGPQQGTHSA-N 2 2 369.491 0.033 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422715 853932228 /nfs/dbraw/zinc/93/22/28/853932228.db2.gz WJCSHDDMFGLDEB-UKRRQHHQSA-N 2 2 350.463 0.916 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422715 853932232 /nfs/dbraw/zinc/93/22/32/853932232.db2.gz WJCSHDDMFGLDEB-UKRRQHHQSA-N 2 2 350.463 0.916 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208590389 853956840 /nfs/dbraw/zinc/95/68/40/853956840.db2.gz FVEVSUFTFOOSLJ-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208590389 853956845 /nfs/dbraw/zinc/95/68/45/853956845.db2.gz FVEVSUFTFOOSLJ-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208590389 853956850 /nfs/dbraw/zinc/95/68/50/853956850.db2.gz FVEVSUFTFOOSLJ-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208590389 853956854 /nfs/dbraw/zinc/95/68/54/853956854.db2.gz FVEVSUFTFOOSLJ-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210282701 854095002 /nfs/dbraw/zinc/09/50/02/854095002.db2.gz AOHLIAHPSAWSIQ-UKRRQHHQSA-N 2 2 350.467 0.107 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210282701 854095006 /nfs/dbraw/zinc/09/50/06/854095006.db2.gz AOHLIAHPSAWSIQ-UKRRQHHQSA-N 2 2 350.467 0.107 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329526 854100575 /nfs/dbraw/zinc/10/05/75/854100575.db2.gz BLDAUEXPPNRDKR-HUUCEWRRSA-N 2 2 357.520 0.344 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329526 854100580 /nfs/dbraw/zinc/10/05/80/854100580.db2.gz BLDAUEXPPNRDKR-HUUCEWRRSA-N 2 2 357.520 0.344 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183737 854166110 /nfs/dbraw/zinc/16/61/10/854166110.db2.gz GYGPVWCSVCQYME-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183737 854166115 /nfs/dbraw/zinc/16/61/15/854166115.db2.gz GYGPVWCSVCQYME-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183737 854166120 /nfs/dbraw/zinc/16/61/20/854166120.db2.gz GYGPVWCSVCQYME-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183737 854166124 /nfs/dbraw/zinc/16/61/24/854166124.db2.gz GYGPVWCSVCQYME-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184111 854167424 /nfs/dbraw/zinc/16/74/24/854167424.db2.gz NVCMMDFAFMZSLI-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184111 854167429 /nfs/dbraw/zinc/16/74/29/854167429.db2.gz NVCMMDFAFMZSLI-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184111 854167436 /nfs/dbraw/zinc/16/74/36/854167436.db2.gz NVCMMDFAFMZSLI-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2C)C1 ZINC001211184111 854167442 /nfs/dbraw/zinc/16/74/42/854167442.db2.gz NVCMMDFAFMZSLI-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001211369880 854182687 /nfs/dbraw/zinc/18/26/87/854182687.db2.gz RZVYKGPKOWVVKN-GDBMZVCRSA-N 2 2 350.463 0.673 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001211369880 854182690 /nfs/dbraw/zinc/18/26/90/854182690.db2.gz RZVYKGPKOWVVKN-GDBMZVCRSA-N 2 2 350.463 0.673 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001211369880 854182694 /nfs/dbraw/zinc/18/26/94/854182694.db2.gz RZVYKGPKOWVVKN-GDBMZVCRSA-N 2 2 350.463 0.673 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001211369880 854182695 /nfs/dbraw/zinc/18/26/95/854182695.db2.gz RZVYKGPKOWVVKN-GDBMZVCRSA-N 2 2 350.463 0.673 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451638 854201750 /nfs/dbraw/zinc/20/17/50/854201750.db2.gz DKADUQDKQXGFHZ-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451638 854201756 /nfs/dbraw/zinc/20/17/56/854201756.db2.gz DKADUQDKQXGFHZ-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1OC ZINC001212352878 854447008 /nfs/dbraw/zinc/44/70/08/854447008.db2.gz CPZHZJDZEMUNDX-ARFHVFGLSA-N 2 2 355.458 0.415 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212427976 854474223 /nfs/dbraw/zinc/47/42/23/854474223.db2.gz JKZGFHBELXXLKH-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212427976 854474227 /nfs/dbraw/zinc/47/42/27/854474227.db2.gz JKZGFHBELXXLKH-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212427976 854474232 /nfs/dbraw/zinc/47/42/32/854474232.db2.gz JKZGFHBELXXLKH-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212427976 854474237 /nfs/dbraw/zinc/47/42/37/854474237.db2.gz JKZGFHBELXXLKH-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436839 854478176 /nfs/dbraw/zinc/47/81/76/854478176.db2.gz MQRZOXXMHCCCMB-INMHGKMJSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436839 854478178 /nfs/dbraw/zinc/47/81/78/854478178.db2.gz MQRZOXXMHCCCMB-INMHGKMJSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436771 854478225 /nfs/dbraw/zinc/47/82/25/854478225.db2.gz JFUAMGDACHTHDV-INMHGKMJSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436771 854478228 /nfs/dbraw/zinc/47/82/28/854478228.db2.gz JFUAMGDACHTHDV-INMHGKMJSA-N 2 2 354.495 0.009 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166581 854520279 /nfs/dbraw/zinc/52/02/79/854520279.db2.gz WOKNKFCWRJERCS-QLFBSQMISA-N 2 2 351.451 0.051 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166581 854520281 /nfs/dbraw/zinc/52/02/81/854520281.db2.gz WOKNKFCWRJERCS-QLFBSQMISA-N 2 2 351.451 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213202777 854530729 /nfs/dbraw/zinc/53/07/29/854530729.db2.gz CVYSFUSIMARWKG-HZPDHXFCSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213202777 854530733 /nfs/dbraw/zinc/53/07/33/854530733.db2.gz CVYSFUSIMARWKG-HZPDHXFCSA-N 2 2 350.463 0.737 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213341998 854581425 /nfs/dbraw/zinc/58/14/25/854581425.db2.gz AFSIQOZHZXRWSS-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213341998 854581435 /nfs/dbraw/zinc/58/14/35/854581435.db2.gz AFSIQOZHZXRWSS-RRFJBIMHSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348834 854584751 /nfs/dbraw/zinc/58/47/51/854584751.db2.gz WMVMHMPCIIABLK-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348834 854584755 /nfs/dbraw/zinc/58/47/55/854584755.db2.gz WMVMHMPCIIABLK-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378076 854594800 /nfs/dbraw/zinc/59/48/00/854594800.db2.gz DCIBDQQAKJOXMB-HZPDHXFCSA-N 2 2 351.495 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378076 854594805 /nfs/dbraw/zinc/59/48/05/854594805.db2.gz DCIBDQQAKJOXMB-HZPDHXFCSA-N 2 2 351.495 0.905 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC)[NH+](C)C ZINC001213455435 854624229 /nfs/dbraw/zinc/62/42/29/854624229.db2.gz AWCUXMKQRKNDAA-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC)[NH+](C)C ZINC001213455435 854624239 /nfs/dbraw/zinc/62/42/39/854624239.db2.gz AWCUXMKQRKNDAA-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1OC ZINC001213588370 854677102 /nfs/dbraw/zinc/67/71/02/854677102.db2.gz DALGVUFWLHRCHF-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1OC ZINC001213588370 854677115 /nfs/dbraw/zinc/67/71/15/854677115.db2.gz DALGVUFWLHRCHF-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213588370 854677126 /nfs/dbraw/zinc/67/71/26/854677126.db2.gz DALGVUFWLHRCHF-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213588370 854677136 /nfs/dbraw/zinc/67/71/36/854677136.db2.gz DALGVUFWLHRCHF-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001213718912 854733718 /nfs/dbraw/zinc/73/37/18/854733718.db2.gz GEVXJNMFBXCAAI-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001213718912 854733722 /nfs/dbraw/zinc/73/37/22/854733722.db2.gz GEVXJNMFBXCAAI-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213728166 854738712 /nfs/dbraw/zinc/73/87/12/854738712.db2.gz CMXCHZROABOIPY-HZPDHXFCSA-N 2 2 354.451 0.131 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213728166 854738717 /nfs/dbraw/zinc/73/87/17/854738717.db2.gz CMXCHZROABOIPY-HZPDHXFCSA-N 2 2 354.451 0.131 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213781313 854763627 /nfs/dbraw/zinc/76/36/27/854763627.db2.gz MYDBCDKEJBNQQZ-BRWVUGGUSA-N 2 2 350.463 0.891 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213781313 854763631 /nfs/dbraw/zinc/76/36/31/854763631.db2.gz MYDBCDKEJBNQQZ-BRWVUGGUSA-N 2 2 350.463 0.891 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929562 854830634 /nfs/dbraw/zinc/83/06/34/854830634.db2.gz BFJJUNDBTACNCJ-OWCLPIDISA-N 2 2 354.495 0.151 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929562 854830637 /nfs/dbraw/zinc/83/06/37/854830637.db2.gz BFJJUNDBTACNCJ-OWCLPIDISA-N 2 2 354.495 0.151 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929562 854830641 /nfs/dbraw/zinc/83/06/41/854830641.db2.gz BFJJUNDBTACNCJ-OWCLPIDISA-N 2 2 354.495 0.151 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929562 854830643 /nfs/dbraw/zinc/83/06/43/854830643.db2.gz BFJJUNDBTACNCJ-OWCLPIDISA-N 2 2 354.495 0.151 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)C2 ZINC001215006449 855050662 /nfs/dbraw/zinc/05/06/62/855050662.db2.gz WSWUUSLGXCMWPS-PVXIVEMSSA-N 2 2 368.503 0.304 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)CC2 ZINC001215006449 855050673 /nfs/dbraw/zinc/05/06/73/855050673.db2.gz WSWUUSLGXCMWPS-PVXIVEMSSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001215269338 855092335 /nfs/dbraw/zinc/09/23/35/855092335.db2.gz WQUREOKDGVAWQL-RBSFLKMASA-N 2 2 356.492 0.390 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1)n1cc[nH+]c1 ZINC001215705868 855138353 /nfs/dbraw/zinc/13/83/53/855138353.db2.gz UKVGJPICHIQNRR-RBSFLKMASA-N 2 2 356.492 0.705 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001215854837 855151051 /nfs/dbraw/zinc/15/10/51/855151051.db2.gz KPFJNKKIZFJPEO-GZBFAFLISA-N 2 2 356.492 0.460 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001215854837 855151052 /nfs/dbraw/zinc/15/10/52/855151052.db2.gz KPFJNKKIZFJPEO-GZBFAFLISA-N 2 2 356.492 0.460 20 0 FCADLP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001217000312 855273748 /nfs/dbraw/zinc/27/37/48/855273748.db2.gz JNCMVLDIGBFPPH-DGCLKSJQSA-N 2 2 362.459 0.723 20 0 FCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1n[nH]c2ncc(Br)cc12 ZINC001218564929 855440828 /nfs/dbraw/zinc/44/08/28/855440828.db2.gz MGJDOUJQJKAUIA-QMMMGPOBSA-N 2 2 359.253 0.678 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2[nH]cc(Br)c21 ZINC001218614100 855450662 /nfs/dbraw/zinc/45/06/62/855450662.db2.gz CBAIWIWXSREKOD-QMMMGPOBSA-N 2 2 350.180 0.952 20 0 FCADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789284 855479404 /nfs/dbraw/zinc/47/94/04/855479404.db2.gz FRRJUDJTNPKVPY-DLBZAZTESA-N 2 2 355.479 0.047 20 0 FCADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789284 855479407 /nfs/dbraw/zinc/47/94/07/855479407.db2.gz FRRJUDJTNPKVPY-DLBZAZTESA-N 2 2 355.479 0.047 20 0 FCADLP NS(=O)(=O)c1cc(Cl)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(Cl)c1 ZINC001218962532 855503478 /nfs/dbraw/zinc/50/34/78/855503478.db2.gz OJODXJJCKBWMQZ-CDUCUWFYSA-N 2 2 353.231 0.269 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)C1 ZINC001218980528 855505231 /nfs/dbraw/zinc/50/52/31/855505231.db2.gz FIBNMTVLPYWAGV-HIFRSBDPSA-N 2 2 352.460 0.240 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003188 855509592 /nfs/dbraw/zinc/50/95/92/855509592.db2.gz YJSJQUSBVTYBPE-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003188 855509602 /nfs/dbraw/zinc/50/96/02/855509602.db2.gz YJSJQUSBVTYBPE-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP COc1ccc(Br)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c1C(N)=O ZINC001219078369 855539543 /nfs/dbraw/zinc/53/95/43/855539543.db2.gz IBXQTRCBNRIUEN-UHFFFAOYSA-N 2 2 371.235 0.576 20 0 FCADLP COc1ccc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(OC)n1 ZINC001279159300 862702939 /nfs/dbraw/zinc/70/29/39/862702939.db2.gz XHXMANMZKHVMBG-IYBDPMFKSA-N 2 2 350.463 0.545 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(OC)n1 ZINC001279159300 862702953 /nfs/dbraw/zinc/70/29/53/862702953.db2.gz XHXMANMZKHVMBG-IYBDPMFKSA-N 2 2 350.463 0.545 20 0 FCADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1c2cccc(N)c2CS1(=O)=O ZINC001219417562 855663965 /nfs/dbraw/zinc/66/39/65/855663965.db2.gz WIDZYVCILXQFSD-AWEZNQCLSA-N 2 2 354.476 0.941 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(Br)c2c1C(=O)NC2 ZINC001219444160 855673382 /nfs/dbraw/zinc/67/33/82/855673382.db2.gz NWVJBPYTLPVUAJ-UHFFFAOYSA-N 2 2 367.247 0.973 20 0 FCADLP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219565801 855716909 /nfs/dbraw/zinc/71/69/09/855716909.db2.gz ODMCGYNAYCAKQA-BZNIZROVSA-N 2 2 350.854 0.167 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219774696 855808849 /nfs/dbraw/zinc/80/88/49/855808849.db2.gz YUZGXDYLFNYKOR-IKGGRYGDSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219774696 855808853 /nfs/dbraw/zinc/80/88/53/855808853.db2.gz YUZGXDYLFNYKOR-IKGGRYGDSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001219774696 855808857 /nfs/dbraw/zinc/80/88/57/855808857.db2.gz YUZGXDYLFNYKOR-IKGGRYGDSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001219774696 855808861 /nfs/dbraw/zinc/80/88/61/855808861.db2.gz YUZGXDYLFNYKOR-IKGGRYGDSA-N 2 2 350.463 0.709 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CC1 ZINC001219804440 855823185 /nfs/dbraw/zinc/82/31/85/855823185.db2.gz WHDXDNADPISYCZ-ILXRZTDVSA-N 2 2 355.870 0.038 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CC1 ZINC001219804440 855823191 /nfs/dbraw/zinc/82/31/91/855823191.db2.gz WHDXDNADPISYCZ-ILXRZTDVSA-N 2 2 355.870 0.038 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@@H]2O)c[nH+]1 ZINC001219864501 855852153 /nfs/dbraw/zinc/85/21/53/855852153.db2.gz RLFHTCZBDGNPRA-CVEARBPZSA-N 2 2 352.479 0.903 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]2O)c[nH+]1 ZINC001219864501 855852156 /nfs/dbraw/zinc/85/21/56/855852156.db2.gz RLFHTCZBDGNPRA-CVEARBPZSA-N 2 2 352.479 0.903 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908625 855875951 /nfs/dbraw/zinc/87/59/51/855875951.db2.gz MOLTWRLPGVKJDN-OIISXLGYSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908625 855875955 /nfs/dbraw/zinc/87/59/55/855875955.db2.gz MOLTWRLPGVKJDN-OIISXLGYSA-N 2 2 350.463 0.279 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908967 855876102 /nfs/dbraw/zinc/87/61/02/855876102.db2.gz XWPSZMMUOJAZJO-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908967 855876105 /nfs/dbraw/zinc/87/61/05/855876105.db2.gz XWPSZMMUOJAZJO-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908967 855876109 /nfs/dbraw/zinc/87/61/09/855876109.db2.gz XWPSZMMUOJAZJO-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908967 855876112 /nfs/dbraw/zinc/87/61/12/855876112.db2.gz XWPSZMMUOJAZJO-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919745 855878867 /nfs/dbraw/zinc/87/88/67/855878867.db2.gz LLPNYBGVFQDDNE-CVEARBPZSA-N 2 2 361.471 0.726 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219919745 855878876 /nfs/dbraw/zinc/87/88/76/855878876.db2.gz LLPNYBGVFQDDNE-CVEARBPZSA-N 2 2 361.471 0.726 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921957 855879398 /nfs/dbraw/zinc/87/93/98/855879398.db2.gz YLLXGFWZSLXNNY-CVEARBPZSA-N 2 2 354.451 0.326 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921957 855879402 /nfs/dbraw/zinc/87/94/02/855879402.db2.gz YLLXGFWZSLXNNY-CVEARBPZSA-N 2 2 354.451 0.326 20 0 FCADLP COc1ccc(O[C@H](C)CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001219947874 855892509 /nfs/dbraw/zinc/89/25/09/855892509.db2.gz GKHZVHFGYZPJLC-CXAGYDPISA-N 2 2 350.463 0.329 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC([NH3+])CC1 ZINC001220039942 855929579 /nfs/dbraw/zinc/92/95/79/855929579.db2.gz ZBQMJYHGJOTWBO-AJSNELNMSA-N 3 2 352.479 0.036 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC([NH3+])CC1 ZINC001220039943 855929741 /nfs/dbraw/zinc/92/97/41/855929741.db2.gz ZBQMJYHGJOTWBO-KUPSXRCWSA-N 3 2 352.479 0.036 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220051869 855933226 /nfs/dbraw/zinc/93/32/26/855933226.db2.gz NYBIFUKAZBLBSX-OAGGEKHMSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220051869 855933231 /nfs/dbraw/zinc/93/32/31/855933231.db2.gz NYBIFUKAZBLBSX-OAGGEKHMSA-N 2 2 350.463 0.473 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001220057882 855937767 /nfs/dbraw/zinc/93/77/67/855937767.db2.gz JYKFDXOHBZZYRF-YCPHGPKFSA-N 2 2 361.433 0.304 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001220057882 855937773 /nfs/dbraw/zinc/93/77/73/855937773.db2.gz JYKFDXOHBZZYRF-YCPHGPKFSA-N 2 2 361.433 0.304 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220105939 855963874 /nfs/dbraw/zinc/96/38/74/855963874.db2.gz SXUPSDRBCHBICV-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220105939 855963880 /nfs/dbraw/zinc/96/38/80/855963880.db2.gz SXUPSDRBCHBICV-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220444459 856128479 /nfs/dbraw/zinc/12/84/79/856128479.db2.gz XRXNLTUEOLRUSY-CVEARBPZSA-N 2 2 350.463 0.594 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220444459 856128483 /nfs/dbraw/zinc/12/84/83/856128483.db2.gz XRXNLTUEOLRUSY-CVEARBPZSA-N 2 2 350.463 0.594 20 0 FCADLP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220568116 856189266 /nfs/dbraw/zinc/18/92/66/856189266.db2.gz XAQZMZADTCTYIJ-KBXCAEBGSA-N 2 2 353.463 0.527 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755587 856282759 /nfs/dbraw/zinc/28/27/59/856282759.db2.gz REBIPDDJJKCGGS-XQQFMLRXSA-N 2 2 353.385 0.068 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755587 856282763 /nfs/dbraw/zinc/28/27/63/856282763.db2.gz REBIPDDJJKCGGS-XQQFMLRXSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755587 856282766 /nfs/dbraw/zinc/28/27/66/856282766.db2.gz REBIPDDJJKCGGS-XQQFMLRXSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)C1 ZINC001220755587 856282770 /nfs/dbraw/zinc/28/27/70/856282770.db2.gz REBIPDDJJKCGGS-XQQFMLRXSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@@H]1O ZINC001220768496 856289564 /nfs/dbraw/zinc/28/95/64/856289564.db2.gz OVQOXMLVHQWSRC-OLZOCXBDSA-N 2 2 361.895 0.641 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@@H]1O ZINC001220768496 856289571 /nfs/dbraw/zinc/28/95/71/856289571.db2.gz OVQOXMLVHQWSRC-OLZOCXBDSA-N 2 2 361.895 0.641 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220815804 856319312 /nfs/dbraw/zinc/31/93/12/856319312.db2.gz ZPMKYQKLTCNADL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220815804 856319327 /nfs/dbraw/zinc/31/93/27/856319327.db2.gz ZPMKYQKLTCNADL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220815804 856319338 /nfs/dbraw/zinc/31/93/38/856319338.db2.gz ZPMKYQKLTCNADL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220815804 856319348 /nfs/dbraw/zinc/31/93/48/856319348.db2.gz ZPMKYQKLTCNADL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220888709 856360968 /nfs/dbraw/zinc/36/09/68/856360968.db2.gz UGJLSIHUIASXMC-BBWFWOEESA-N 2 2 350.463 0.473 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220888709 856360981 /nfs/dbraw/zinc/36/09/81/856360981.db2.gz UGJLSIHUIASXMC-BBWFWOEESA-N 2 2 350.463 0.473 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CCN(Cc3ccc(Br)cc3)C2)C1 ZINC001220918804 856374548 /nfs/dbraw/zinc/37/45/48/856374548.db2.gz HGOMPIMXVPCRII-KKUMJFAQSA-N 2 2 367.291 0.829 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2cc(F)c(OC3CCOCC3)c(F)c2)C1 ZINC001220947000 856387605 /nfs/dbraw/zinc/38/76/05/856387605.db2.gz QJZOYSLKMVOQRP-NHYWBVRUSA-N 2 2 355.385 0.828 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001220986068 856409024 /nfs/dbraw/zinc/40/90/24/856409024.db2.gz RCOGYSKVPMTFNW-UPJWGTAASA-N 2 2 353.385 0.068 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001220986068 856409025 /nfs/dbraw/zinc/40/90/25/856409025.db2.gz RCOGYSKVPMTFNW-UPJWGTAASA-N 2 2 353.385 0.068 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)on1 ZINC001220988994 856409711 /nfs/dbraw/zinc/40/97/11/856409711.db2.gz FFIBBTWVPSMVCG-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)on1 ZINC001220988994 856409714 /nfs/dbraw/zinc/40/97/14/856409714.db2.gz FFIBBTWVPSMVCG-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994223 856412545 /nfs/dbraw/zinc/41/25/45/856412545.db2.gz HHDNHVSONGYSFN-CVEARBPZSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994223 856412553 /nfs/dbraw/zinc/41/25/53/856412553.db2.gz HHDNHVSONGYSFN-CVEARBPZSA-N 2 2 350.463 0.910 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091712 856460314 /nfs/dbraw/zinc/46/03/14/856460314.db2.gz VFQOLUFJOJBDNX-KFWWJZLASA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091712 856460316 /nfs/dbraw/zinc/46/03/16/856460316.db2.gz VFQOLUFJOJBDNX-KFWWJZLASA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091712 856460325 /nfs/dbraw/zinc/46/03/25/856460325.db2.gz VFQOLUFJOJBDNX-KFWWJZLASA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091712 856460333 /nfs/dbraw/zinc/46/03/33/856460333.db2.gz VFQOLUFJOJBDNX-KFWWJZLASA-N 2 2 356.511 0.181 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CCOCC1 ZINC001221181820 856501880 /nfs/dbraw/zinc/50/18/80/856501880.db2.gz TXJNYOIBGFDJOC-KRWDZBQOSA-N 2 2 352.523 0.840 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CCOCC1 ZINC001221181821 856502179 /nfs/dbraw/zinc/50/21/79/856502179.db2.gz TXJNYOIBGFDJOC-QGZVFWFLSA-N 2 2 352.523 0.840 20 0 FCADLP [NH3+]CCCP(CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001221272172 856534632 /nfs/dbraw/zinc/53/46/32/856534632.db2.gz XXUHBZSPLJGMEB-HRCUUXTESA-N 3 2 362.458 0.600 20 0 FCADLP COCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410988 856560295 /nfs/dbraw/zinc/56/02/95/856560295.db2.gz CRCGQAOBKKFBJC-PMPSAXMXSA-N 3 2 354.882 0.765 20 0 FCADLP COCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410988 856560300 /nfs/dbraw/zinc/56/03/00/856560300.db2.gz CRCGQAOBKKFBJC-PMPSAXMXSA-N 3 2 354.882 0.765 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444929 856568463 /nfs/dbraw/zinc/56/84/63/856568463.db2.gz SZWQHUWLEXQMRL-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444929 856568474 /nfs/dbraw/zinc/56/84/74/856568474.db2.gz SZWQHUWLEXQMRL-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444929 856568487 /nfs/dbraw/zinc/56/84/87/856568487.db2.gz SZWQHUWLEXQMRL-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444929 856568501 /nfs/dbraw/zinc/56/85/01/856568501.db2.gz SZWQHUWLEXQMRL-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461606 856575387 /nfs/dbraw/zinc/57/53/87/856575387.db2.gz QVOTWQFZSSUJRY-KURKYZTESA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461606 856575391 /nfs/dbraw/zinc/57/53/91/856575391.db2.gz QVOTWQFZSSUJRY-KURKYZTESA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001221461606 856575399 /nfs/dbraw/zinc/57/53/99/856575399.db2.gz QVOTWQFZSSUJRY-KURKYZTESA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001221461606 856575405 /nfs/dbraw/zinc/57/54/05/856575405.db2.gz QVOTWQFZSSUJRY-KURKYZTESA-N 2 2 353.507 0.912 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560948 856606208 /nfs/dbraw/zinc/60/62/08/856606208.db2.gz QJQMVHMFOZUSOV-QBPKDAKJSA-N 2 2 350.507 0.776 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560948 856606209 /nfs/dbraw/zinc/60/62/09/856606209.db2.gz QJQMVHMFOZUSOV-QBPKDAKJSA-N 2 2 350.507 0.776 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560948 856606212 /nfs/dbraw/zinc/60/62/12/856606212.db2.gz QJQMVHMFOZUSOV-QBPKDAKJSA-N 2 2 350.507 0.776 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560948 856606215 /nfs/dbraw/zinc/60/62/15/856606215.db2.gz QJQMVHMFOZUSOV-QBPKDAKJSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)C)C[C@H]32)CC[N@@H+]1C ZINC001221560683 856606261 /nfs/dbraw/zinc/60/62/61/856606261.db2.gz AAKHGEBGGJMTGX-YYIAUSFCSA-N 2 2 350.507 0.774 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC(C)C)C[C@H]32)CC[N@H+]1C ZINC001221560683 856606264 /nfs/dbraw/zinc/60/62/64/856606264.db2.gz AAKHGEBGGJMTGX-YYIAUSFCSA-N 2 2 350.507 0.774 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001221560683 856606266 /nfs/dbraw/zinc/60/62/66/856606266.db2.gz AAKHGEBGGJMTGX-YYIAUSFCSA-N 2 2 350.507 0.774 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001221560683 856606270 /nfs/dbraw/zinc/60/62/70/856606270.db2.gz AAKHGEBGGJMTGX-YYIAUSFCSA-N 2 2 350.507 0.774 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616719 856625581 /nfs/dbraw/zinc/62/55/81/856625581.db2.gz RTVWJGLHKBSSPY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616719 856625587 /nfs/dbraw/zinc/62/55/87/856625587.db2.gz RTVWJGLHKBSSPY-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620515 856626562 /nfs/dbraw/zinc/62/65/62/856626562.db2.gz IQRNTEUILAZGLZ-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620515 856626564 /nfs/dbraw/zinc/62/65/64/856626564.db2.gz IQRNTEUILAZGLZ-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620515 856626569 /nfs/dbraw/zinc/62/65/69/856626569.db2.gz IQRNTEUILAZGLZ-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620515 856626572 /nfs/dbraw/zinc/62/65/72/856626572.db2.gz IQRNTEUILAZGLZ-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620696 856627617 /nfs/dbraw/zinc/62/76/17/856627617.db2.gz SSONAAPDABKSIR-BFYDXBDKSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620696 856627622 /nfs/dbraw/zinc/62/76/22/856627622.db2.gz SSONAAPDABKSIR-BFYDXBDKSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@H](C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620696 856627626 /nfs/dbraw/zinc/62/76/26/856627626.db2.gz SSONAAPDABKSIR-BFYDXBDKSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@H](C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221620696 856627632 /nfs/dbraw/zinc/62/76/32/856627632.db2.gz SSONAAPDABKSIR-BFYDXBDKSA-N 2 2 371.547 0.684 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648168 856638114 /nfs/dbraw/zinc/63/81/14/856638114.db2.gz UHIPIPOXFAZTQQ-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648168 856638123 /nfs/dbraw/zinc/63/81/23/856638123.db2.gz UHIPIPOXFAZTQQ-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648168 856638129 /nfs/dbraw/zinc/63/81/29/856638129.db2.gz UHIPIPOXFAZTQQ-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648168 856638139 /nfs/dbraw/zinc/63/81/39/856638139.db2.gz UHIPIPOXFAZTQQ-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773139 856677315 /nfs/dbraw/zinc/67/73/15/856677315.db2.gz YUMHYBAZMRULDS-ARFHVFGLSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773139 856677320 /nfs/dbraw/zinc/67/73/20/856677320.db2.gz YUMHYBAZMRULDS-ARFHVFGLSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221776724 856678734 /nfs/dbraw/zinc/67/87/34/856678734.db2.gz AESVKPTYNWQUOP-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221776724 856678739 /nfs/dbraw/zinc/67/87/39/856678739.db2.gz AESVKPTYNWQUOP-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787458 856682379 /nfs/dbraw/zinc/68/23/79/856682379.db2.gz SEPVZTAWIISZJB-IAGOWNOFSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787458 856682382 /nfs/dbraw/zinc/68/23/82/856682382.db2.gz SEPVZTAWIISZJB-IAGOWNOFSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813242 856695766 /nfs/dbraw/zinc/69/57/66/856695766.db2.gz CGRPJKMFSGZWFI-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813242 856695772 /nfs/dbraw/zinc/69/57/72/856695772.db2.gz CGRPJKMFSGZWFI-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813242 856695781 /nfs/dbraw/zinc/69/57/81/856695781.db2.gz CGRPJKMFSGZWFI-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813242 856695788 /nfs/dbraw/zinc/69/57/88/856695788.db2.gz CGRPJKMFSGZWFI-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221883199 856721496 /nfs/dbraw/zinc/72/14/96/856721496.db2.gz UFGVGDXKGQVGMD-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001221883199 856721502 /nfs/dbraw/zinc/72/15/02/856721502.db2.gz UFGVGDXKGQVGMD-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221919576 856733788 /nfs/dbraw/zinc/73/37/88/856733788.db2.gz WNDLIDPDTHZQSO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221919576 856733803 /nfs/dbraw/zinc/73/38/03/856733803.db2.gz WNDLIDPDTHZQSO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221919576 856733815 /nfs/dbraw/zinc/73/38/15/856733815.db2.gz WNDLIDPDTHZQSO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221919576 856733825 /nfs/dbraw/zinc/73/38/25/856733825.db2.gz WNDLIDPDTHZQSO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001221949921 856745558 /nfs/dbraw/zinc/74/55/58/856745558.db2.gz NEQJHIWUXUHXLI-BZUAXINKSA-N 2 2 369.531 0.296 20 0 FCADLP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001221949921 856745562 /nfs/dbraw/zinc/74/55/62/856745562.db2.gz NEQJHIWUXUHXLI-BZUAXINKSA-N 2 2 369.531 0.296 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050235 856783583 /nfs/dbraw/zinc/78/35/83/856783583.db2.gz XRYJWQOUFCAQOE-JFIYKMOQSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050235 856783591 /nfs/dbraw/zinc/78/35/91/856783591.db2.gz XRYJWQOUFCAQOE-JFIYKMOQSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223115990 856897338 /nfs/dbraw/zinc/89/73/38/856897338.db2.gz OCXFMXWDYCQRED-CVEARBPZSA-N 2 2 368.503 0.549 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001223115990 856897347 /nfs/dbraw/zinc/89/73/47/856897347.db2.gz OCXFMXWDYCQRED-CVEARBPZSA-N 2 2 368.503 0.549 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)n1cc[nH+]c1 ZINC001223579671 856927896 /nfs/dbraw/zinc/92/78/96/856927896.db2.gz GWGFSMRHOVHKMD-ZACQAIPSSA-N 2 2 350.463 0.766 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)n1cc[nH+]c1 ZINC001223579671 856927906 /nfs/dbraw/zinc/92/79/06/856927906.db2.gz GWGFSMRHOVHKMD-ZACQAIPSSA-N 2 2 350.463 0.766 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001224037543 856957599 /nfs/dbraw/zinc/95/75/99/856957599.db2.gz WNUPABLRNINING-WBVHZDCISA-N 2 2 350.463 0.284 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001224037543 856957607 /nfs/dbraw/zinc/95/76/07/856957607.db2.gz WNUPABLRNINING-WBVHZDCISA-N 2 2 350.463 0.284 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001224139843 856962573 /nfs/dbraw/zinc/96/25/73/856962573.db2.gz DPIAOHHQUPBWPX-CVEARBPZSA-N 2 2 368.503 0.549 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001224139843 856962578 /nfs/dbraw/zinc/96/25/78/856962578.db2.gz DPIAOHHQUPBWPX-CVEARBPZSA-N 2 2 368.503 0.549 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224307294 856977500 /nfs/dbraw/zinc/97/75/00/856977500.db2.gz ZLFOVXGLHXRZND-IKGGRYGDSA-N 2 2 350.463 0.593 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224307294 856977503 /nfs/dbraw/zinc/97/75/03/856977503.db2.gz ZLFOVXGLHXRZND-IKGGRYGDSA-N 2 2 350.463 0.593 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227166125 857147092 /nfs/dbraw/zinc/14/70/92/857147092.db2.gz SKQLYQMPLKISJQ-NUEKZKHPSA-N 2 2 368.503 0.507 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCOCC(F)(F)F)CC2)O1 ZINC001227953839 857186550 /nfs/dbraw/zinc/18/65/50/857186550.db2.gz MWGSZJIAGICVBT-TZMCWYRMSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCOCC(F)(F)F)CC2)O1 ZINC001227953839 857186557 /nfs/dbraw/zinc/18/65/57/857186557.db2.gz MWGSZJIAGICVBT-TZMCWYRMSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H](C)[N@H+]1CCO ZINC001227997015 857188374 /nfs/dbraw/zinc/18/83/74/857188374.db2.gz HIDXFBCIMGXZFQ-CALCHBBNSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1CCO ZINC001227997015 857188382 /nfs/dbraw/zinc/18/83/82/857188382.db2.gz HIDXFBCIMGXZFQ-CALCHBBNSA-N 2 2 355.527 0.111 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001228669035 857222231 /nfs/dbraw/zinc/22/22/31/857222231.db2.gz JTUVIAAAHYUYRB-KBUPBQIOSA-N 2 2 368.503 0.585 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801188 857230026 /nfs/dbraw/zinc/23/00/26/857230026.db2.gz UXBQKHSUQLVFAA-HUUCEWRRSA-N 2 2 351.451 0.122 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)NCC(F)(F)F ZINC001228799962 857230497 /nfs/dbraw/zinc/23/04/97/857230497.db2.gz CFHPRFQWBBPKLS-VXGBXAGGSA-N 2 2 361.368 0.648 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001229860195 857290171 /nfs/dbraw/zinc/29/01/71/857290171.db2.gz NPTZFKYCJUBVDV-ZIAGYGMSSA-N 2 2 352.483 0.994 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001229860195 857290173 /nfs/dbraw/zinc/29/01/73/857290173.db2.gz NPTZFKYCJUBVDV-ZIAGYGMSSA-N 2 2 352.483 0.994 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001231835775 857367278 /nfs/dbraw/zinc/36/72/78/857367278.db2.gz ODKSZRYQTRKHQY-UHFFFAOYSA-N 2 2 350.511 0.244 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001231835775 857367289 /nfs/dbraw/zinc/36/72/89/857367289.db2.gz ODKSZRYQTRKHQY-UHFFFAOYSA-N 2 2 350.511 0.244 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001238839485 857483574 /nfs/dbraw/zinc/48/35/74/857483574.db2.gz SDYSOQUFNWGNEL-UHFFFAOYSA-N 2 2 358.208 0.554 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001239076602 857505769 /nfs/dbraw/zinc/50/57/69/857505769.db2.gz DSBXRPVJTLTMSL-HUUCEWRRSA-N 2 2 370.544 0.836 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001239076601 857506134 /nfs/dbraw/zinc/50/61/34/857506134.db2.gz DSBXRPVJTLTMSL-GJZGRUSLSA-N 2 2 370.544 0.836 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501277 862920263 /nfs/dbraw/zinc/92/02/63/862920263.db2.gz DTYDGYUAZZDSST-DLBZAZTESA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501277 862920268 /nfs/dbraw/zinc/92/02/68/862920268.db2.gz DTYDGYUAZZDSST-DLBZAZTESA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501277 862920273 /nfs/dbraw/zinc/92/02/73/862920273.db2.gz DTYDGYUAZZDSST-DLBZAZTESA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501277 862920276 /nfs/dbraw/zinc/92/02/76/862920276.db2.gz DTYDGYUAZZDSST-DLBZAZTESA-N 2 2 374.551 0.301 20 0 FCADLP COc1ccc(CNC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001239439502 857528565 /nfs/dbraw/zinc/52/85/65/857528565.db2.gz RFBLINXQLJTMKM-UHFFFAOYSA-N 2 2 351.520 0.154 20 0 FCADLP CCC(CC)[C@@H](N[C@H]1CCC[N@H+](C)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410486 857577611 /nfs/dbraw/zinc/57/76/11/857577611.db2.gz HLTFPKIUEBRCAF-DWMDIXPDSA-N 2 2 355.523 0.972 20 0 FCADLP CCC(CC)[C@@H](N[C@H]1CCC[N@@H+](C)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410486 857577623 /nfs/dbraw/zinc/57/76/23/857577623.db2.gz HLTFPKIUEBRCAF-DWMDIXPDSA-N 2 2 355.523 0.972 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)N1C(=O)CCC1=O ZINC001251552015 857730395 /nfs/dbraw/zinc/73/03/95/857730395.db2.gz ZHXMJSHXMCGHPR-CYBMUJFWSA-N 2 2 350.463 0.199 20 0 FCADLP CN(C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001251823104 857754117 /nfs/dbraw/zinc/75/41/17/857754117.db2.gz ATHFVVYRUURCMM-SQWLQELKSA-N 2 2 351.495 0.450 20 0 FCADLP CN(C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001251823104 857754120 /nfs/dbraw/zinc/75/41/20/857754120.db2.gz ATHFVVYRUURCMM-SQWLQELKSA-N 2 2 351.495 0.450 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001253187281 857870393 /nfs/dbraw/zinc/87/03/93/857870393.db2.gz XQVONGCYGPNIRX-SOLBZPMBSA-N 2 2 356.511 0.584 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001253187281 857870396 /nfs/dbraw/zinc/87/03/96/857870396.db2.gz XQVONGCYGPNIRX-SOLBZPMBSA-N 2 2 356.511 0.584 20 0 FCADLP CS(=O)(=O)N1CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254036247 857934757 /nfs/dbraw/zinc/93/47/57/857934757.db2.gz GPUKHBGINOAWOK-UHFFFAOYSA-N 2 2 367.515 0.591 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516649 857976276 /nfs/dbraw/zinc/97/62/76/857976276.db2.gz BWCUPONICJBUDX-VQIMIIECSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516649 857976280 /nfs/dbraw/zinc/97/62/80/857976280.db2.gz BWCUPONICJBUDX-VQIMIIECSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254516649 857976283 /nfs/dbraw/zinc/97/62/83/857976283.db2.gz BWCUPONICJBUDX-VQIMIIECSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@@]2(CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254516649 857976287 /nfs/dbraw/zinc/97/62/87/857976287.db2.gz BWCUPONICJBUDX-VQIMIIECSA-N 2 2 350.507 0.873 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856045 857988341 /nfs/dbraw/zinc/98/83/41/857988341.db2.gz CVYFBWJPMVMIKH-JENIJYKNSA-N 2 2 351.491 0.857 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856045 857988348 /nfs/dbraw/zinc/98/83/48/857988348.db2.gz CVYFBWJPMVMIKH-JENIJYKNSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H](CS(=O)(=O)c1ccccc1)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001255805233 858033621 /nfs/dbraw/zinc/03/36/21/858033621.db2.gz UXCHPIBHCHCFIN-AWEZNQCLSA-N 2 2 364.471 0.926 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001256204642 858057377 /nfs/dbraw/zinc/05/73/77/858057377.db2.gz JEQSRDURZMXOFY-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001256204642 858057385 /nfs/dbraw/zinc/05/73/85/858057385.db2.gz JEQSRDURZMXOFY-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257239506 858131758 /nfs/dbraw/zinc/13/17/58/858131758.db2.gz QWCHHFZEAKUYLE-KRWDZBQOSA-N 2 2 359.536 0.986 20 0 FCADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257239506 858131761 /nfs/dbraw/zinc/13/17/61/858131761.db2.gz QWCHHFZEAKUYLE-KRWDZBQOSA-N 2 2 359.536 0.986 20 0 FCADLP C[C@@H]1C[NH+](CCc2nnc(CCCN3CC[NH+](C)CC3)o2)C[C@@H](C)O1 ZINC001258081054 858176169 /nfs/dbraw/zinc/17/61/69/858176169.db2.gz NVVMHYUCZUYEJH-HZPDHXFCSA-N 2 2 351.495 0.901 20 0 FCADLP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC001270791664 859847138 /nfs/dbraw/zinc/84/71/38/859847138.db2.gz PZIMZYSUJXHMTJ-RBSFLKMASA-N 2 2 350.463 0.550 20 0 FCADLP CN1C[C@@]2(CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)OCC1=O ZINC001275519489 861118997 /nfs/dbraw/zinc/11/89/97/861118997.db2.gz BHTBMYWRZNVWBV-QGZVFWFLSA-N 2 2 365.503 0.328 20 0 FCADLP CN1C[C@@]2(CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)OCC1=O ZINC001275519489 861119003 /nfs/dbraw/zinc/11/90/03/861119003.db2.gz BHTBMYWRZNVWBV-QGZVFWFLSA-N 2 2 365.503 0.328 20 0 FCADLP CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001279843897 863097493 /nfs/dbraw/zinc/09/74/93/863097493.db2.gz NADMDKAPZVWNKF-NVXWUHKLSA-N 2 2 357.520 0.345 20 0 FCADLP CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001279843897 863097506 /nfs/dbraw/zinc/09/75/06/863097506.db2.gz NADMDKAPZVWNKF-NVXWUHKLSA-N 2 2 357.520 0.345 20 0 FCADLP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001280045972 863215303 /nfs/dbraw/zinc/21/53/03/863215303.db2.gz RAAJPHAQILMWJP-IYBDPMFKSA-N 2 2 350.463 1.000 20 0 FCADLP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001280045972 863215313 /nfs/dbraw/zinc/21/53/13/863215313.db2.gz RAAJPHAQILMWJP-IYBDPMFKSA-N 2 2 350.463 1.000 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280188350 863316538 /nfs/dbraw/zinc/31/65/38/863316538.db2.gz FRRANWZEZACVHF-ULQDDVLXSA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280188350 863316545 /nfs/dbraw/zinc/31/65/45/863316545.db2.gz FRRANWZEZACVHF-ULQDDVLXSA-N 2 2 351.491 0.401 20 0 FCADLP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280225744 863348276 /nfs/dbraw/zinc/34/82/76/863348276.db2.gz UWUULEHCFUXTJD-IRXDYDNUSA-N 3 2 351.539 0.012 20 0 FCADLP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280225744 863348290 /nfs/dbraw/zinc/34/82/90/863348290.db2.gz UWUULEHCFUXTJD-IRXDYDNUSA-N 3 2 351.539 0.012 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](CCC[NH+](C)C)C3)c1 ZINC001280224018 863348589 /nfs/dbraw/zinc/34/85/89/863348589.db2.gz JVWBCGPDVGZYLU-QGZVFWFLSA-N 2 2 369.535 0.848 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC[NH+](C)C)C3)c1 ZINC001280224018 863348596 /nfs/dbraw/zinc/34/85/96/863348596.db2.gz JVWBCGPDVGZYLU-QGZVFWFLSA-N 2 2 369.535 0.848 20 0 FCADLP CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001292959442 865764532 /nfs/dbraw/zinc/76/45/32/865764532.db2.gz WZLUXLMWCCKAQT-RCCFBDPRSA-N 2 2 354.539 0.876 20 0 FCADLP CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001292959442 865764537 /nfs/dbraw/zinc/76/45/37/865764537.db2.gz WZLUXLMWCCKAQT-RCCFBDPRSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001349264322 866282922 /nfs/dbraw/zinc/28/29/22/866282922.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001349264322 866282940 /nfs/dbraw/zinc/28/29/40/866282940.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001349264322 866282959 /nfs/dbraw/zinc/28/29/59/866282959.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001349264322 866282974 /nfs/dbraw/zinc/28/29/74/866282974.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC001349264322 866282993 /nfs/dbraw/zinc/28/29/93/866282993.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC001349264322 866283011 /nfs/dbraw/zinc/28/30/11/866283011.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001349264322 866283032 /nfs/dbraw/zinc/28/30/32/866283032.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001349264322 866283049 /nfs/dbraw/zinc/28/30/49/866283049.db2.gz HELRXIBKYIUXPU-YYIAUSFCSA-N 2 2 355.527 0.419 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC001349420788 866335707 /nfs/dbraw/zinc/33/57/07/866335707.db2.gz OQIIFSPNZLTQRI-AWEZNQCLSA-N 2 2 368.503 0.368 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1CN(C)CC[NH+]1C ZINC001349466302 866348662 /nfs/dbraw/zinc/34/86/62/866348662.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1CN(C)CC[NH+]1C ZINC001349466302 866348679 /nfs/dbraw/zinc/34/86/79/866348679.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349466302 866348698 /nfs/dbraw/zinc/34/86/98/866348698.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001349466302 866348704 /nfs/dbraw/zinc/34/87/04/866348704.db2.gz BPABAIJWAWAFOE-WBVHZDCISA-N 2 2 355.527 0.109 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648263 866403844 /nfs/dbraw/zinc/40/38/44/866403844.db2.gz ILKFALMKNYMSCW-MSOLQXFVSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648263 866403849 /nfs/dbraw/zinc/40/38/49/866403849.db2.gz ILKFALMKNYMSCW-MSOLQXFVSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001349648263 866403858 /nfs/dbraw/zinc/40/38/58/866403858.db2.gz ILKFALMKNYMSCW-MSOLQXFVSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001349648263 866403861 /nfs/dbraw/zinc/40/38/61/866403861.db2.gz ILKFALMKNYMSCW-MSOLQXFVSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648266 866403994 /nfs/dbraw/zinc/40/39/94/866403994.db2.gz ILKFALMKNYMSCW-ZWKOTPCHSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001349648266 866403998 /nfs/dbraw/zinc/40/39/98/866403998.db2.gz ILKFALMKNYMSCW-ZWKOTPCHSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001349648266 866404004 /nfs/dbraw/zinc/40/40/04/866404004.db2.gz ILKFALMKNYMSCW-ZWKOTPCHSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001349648266 866404006 /nfs/dbraw/zinc/40/40/06/866404006.db2.gz ILKFALMKNYMSCW-ZWKOTPCHSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001307643571 866666680 /nfs/dbraw/zinc/66/66/80/866666680.db2.gz LQPYDNHFUZZZNO-UHFFFAOYSA-N 2 2 353.488 0.772 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840632 866679306 /nfs/dbraw/zinc/67/93/06/866679306.db2.gz WGGVYDAOGQRMKU-ARFHVFGLSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840632 866679310 /nfs/dbraw/zinc/67/93/10/866679310.db2.gz WGGVYDAOGQRMKU-ARFHVFGLSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840632 866679318 /nfs/dbraw/zinc/67/93/18/866679318.db2.gz WGGVYDAOGQRMKU-ARFHVFGLSA-N 2 2 357.495 0.867 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307840632 866679322 /nfs/dbraw/zinc/67/93/22/866679322.db2.gz WGGVYDAOGQRMKU-ARFHVFGLSA-N 2 2 357.495 0.867 20 0 FCADLP Cc1nn2c(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)c(C)nc2s1 ZINC001308262665 866710000 /nfs/dbraw/zinc/71/00/00/866710000.db2.gz ZOXKKSSVZHWCSX-OAHLLOKOSA-N 2 2 364.519 0.904 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001351420409 866857135 /nfs/dbraw/zinc/85/71/35/866857135.db2.gz IFHIWRXRYKDTLD-UHFFFAOYSA-N 2 2 354.495 0.809 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001351420409 866857151 /nfs/dbraw/zinc/85/71/51/866857151.db2.gz IFHIWRXRYKDTLD-UHFFFAOYSA-N 2 2 354.495 0.809 20 0 FCADLP Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001355639859 867825680 /nfs/dbraw/zinc/82/56/80/867825680.db2.gz NAPLDIZJTBOBQO-UHFFFAOYSA-N 2 2 350.511 0.940 20 0 FCADLP Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc2c[nH+]cn21 ZINC001319972751 868050114 /nfs/dbraw/zinc/05/01/14/868050114.db2.gz JSIUIHQWSXAPMN-UHFFFAOYSA-N 2 2 364.471 0.882 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C(F)F)s2)CC[N@@H+]1C ZINC001320229289 868114195 /nfs/dbraw/zinc/11/41/95/868114195.db2.gz FLYWNFSGQKKXLS-OPRDCNLKSA-N 2 2 363.434 0.383 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C(F)F)s2)CC[N@H+]1C ZINC001320229289 868114205 /nfs/dbraw/zinc/11/42/05/868114205.db2.gz FLYWNFSGQKKXLS-OPRDCNLKSA-N 2 2 363.434 0.383 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001321683182 868570593 /nfs/dbraw/zinc/57/05/93/868570593.db2.gz XZAUHJWLZJYJHW-HOTGVXAUSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001321683182 868570604 /nfs/dbraw/zinc/57/06/04/868570604.db2.gz XZAUHJWLZJYJHW-HOTGVXAUSA-N 2 2 372.535 0.421 20 0 FCADLP CC(C)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001323430676 869190523 /nfs/dbraw/zinc/19/05/23/869190523.db2.gz ADVUJKJOGQIWQB-OAHLLOKOSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001323430676 869190531 /nfs/dbraw/zinc/19/05/31/869190531.db2.gz ADVUJKJOGQIWQB-OAHLLOKOSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)C(=O)NC1CCSCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323788299 869358049 /nfs/dbraw/zinc/35/80/49/869358049.db2.gz YSHPMABRUWVIKH-INIZCTEOSA-N 2 2 368.547 0.625 20 0 FCADLP CN(C(=O)C(=O)NC1CCSCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323788299 869358054 /nfs/dbraw/zinc/35/80/54/869358054.db2.gz YSHPMABRUWVIKH-INIZCTEOSA-N 2 2 368.547 0.625 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCS(C)(=O)=O)CC2)CC1 ZINC001326202310 870208323 /nfs/dbraw/zinc/20/83/23/870208323.db2.gz WXGITEOUHVIJKB-UHFFFAOYSA-N 2 2 374.551 0.669 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)C ZINC001327518660 870921264 /nfs/dbraw/zinc/92/12/64/870921264.db2.gz QZXXMZYROHHSPJ-PBHICJAKSA-N 2 2 350.463 0.988 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)C ZINC001327518660 870921270 /nfs/dbraw/zinc/92/12/70/870921270.db2.gz QZXXMZYROHHSPJ-PBHICJAKSA-N 2 2 350.463 0.988 20 0 FCADLP CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001328006369 871180343 /nfs/dbraw/zinc/18/03/43/871180343.db2.gz QYWCMJLEHKKYQG-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001328330616 871365595 /nfs/dbraw/zinc/36/55/95/871365595.db2.gz WMHOKALNXSMUBR-GFCCVEGCSA-N 2 2 364.431 0.430 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425402 871832925 /nfs/dbraw/zinc/83/29/25/871832925.db2.gz GCVRIVRYYIJARB-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425402 871832933 /nfs/dbraw/zinc/83/29/33/871832933.db2.gz GCVRIVRYYIJARB-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP O=S(=O)(C1CC1)N1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001346507507 871874799 /nfs/dbraw/zinc/87/47/99/871874799.db2.gz WKXVBWQBVDHSRZ-INIZCTEOSA-N 2 2 357.520 0.786 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765769 871987897 /nfs/dbraw/zinc/98/78/97/871987897.db2.gz CFYUKZRNBMEMQA-YYIAUSFCSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765769 871987902 /nfs/dbraw/zinc/98/79/02/871987902.db2.gz CFYUKZRNBMEMQA-YYIAUSFCSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)C[C@@H]1C ZINC001346765769 871987920 /nfs/dbraw/zinc/98/79/20/871987920.db2.gz CFYUKZRNBMEMQA-YYIAUSFCSA-N 2 2 355.527 0.371 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C1(C)C ZINC001330647873 872747455 /nfs/dbraw/zinc/74/74/55/872747455.db2.gz IFANDIOFLVHKQG-VQIMIIECSA-N 2 2 352.523 0.757 20 0 FCADLP CC(C)NC(=O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824305959 946652335 /nfs/dbraw/zinc/65/23/35/946652335.db2.gz YJERDJQVHYMQMU-UHFFFAOYSA-N 2 2 357.462 0.945 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824547622 946790826 /nfs/dbraw/zinc/79/08/26/946790826.db2.gz QSVMGBURZPYCAP-CRAIPNDOSA-N 2 2 371.489 0.924 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574923420 948947953 /nfs/dbraw/zinc/94/79/53/948947953.db2.gz LYUGWXBCENWEEJ-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923542 948951458 /nfs/dbraw/zinc/95/14/58/948951458.db2.gz PINCPGLJXCIQQG-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574942279 949341919 /nfs/dbraw/zinc/34/19/19/949341919.db2.gz MZKNESMOVHZYRJ-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574942279 949341940 /nfs/dbraw/zinc/34/19/40/949341940.db2.gz MZKNESMOVHZYRJ-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949369 949489611 /nfs/dbraw/zinc/48/96/11/949489611.db2.gz VDDXKTFHRLEFLD-NSHDSACASA-N 2 2 360.447 0.761 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949369 949489622 /nfs/dbraw/zinc/48/96/22/949489622.db2.gz VDDXKTFHRLEFLD-NSHDSACASA-N 2 2 360.447 0.761 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574949662 949506385 /nfs/dbraw/zinc/50/63/85/949506385.db2.gz ZYJUYWJZHLUEKK-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875287 949632152 /nfs/dbraw/zinc/63/21/52/949632152.db2.gz HZDZERSPNYFFBM-DZGCQCFKSA-N 2 2 370.461 0.831 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001570956993 949874932 /nfs/dbraw/zinc/87/49/32/949874932.db2.gz DGCBUPFCBVECCH-CYBMUJFWSA-N 2 2 352.402 0.523 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574729558 950019558 /nfs/dbraw/zinc/01/95/58/950019558.db2.gz OGXAOLNHMDPHIY-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574731458 950051661 /nfs/dbraw/zinc/05/16/61/950051661.db2.gz FBCBSPOFFJKOLU-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575906638 950317839 /nfs/dbraw/zinc/31/78/39/950317839.db2.gz KCPFTQWFRGQOCB-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570982018 950624997 /nfs/dbraw/zinc/62/49/97/950624997.db2.gz ZJSRIHOGTVIKPX-DOMZBBRYSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570982018 950625007 /nfs/dbraw/zinc/62/50/07/950625007.db2.gz ZJSRIHOGTVIKPX-DOMZBBRYSA-N 2 2 356.434 0.181 20 0 FCADLP CC[C@@H](C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001570995585 950994261 /nfs/dbraw/zinc/99/42/61/950994261.db2.gz WVPZXSWJJQCVHK-AWEZNQCLSA-N 2 2 358.450 0.641 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571027666 951499004 /nfs/dbraw/zinc/49/90/04/951499004.db2.gz KYBJMAYPZQUYNH-OAHLLOKOSA-N 2 2 366.429 0.913 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571037616 951631479 /nfs/dbraw/zinc/63/14/79/951631479.db2.gz NGENFWHMQGSWIU-ABAIWWIYSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571037619 951631996 /nfs/dbraw/zinc/63/19/96/951631996.db2.gz NGENFWHMQGSWIU-XHDPSFHLSA-N 2 2 367.417 0.148 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089671 951751302 /nfs/dbraw/zinc/75/13/02/951751302.db2.gz HEUHWWWDASTPHL-GFCCVEGCSA-N 2 2 354.418 0.674 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100204 951844165 /nfs/dbraw/zinc/84/41/65/951844165.db2.gz SAPNPDBJCKAFBP-NSHDSACASA-N 2 2 374.474 0.746 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575103095 951873586 /nfs/dbraw/zinc/87/35/86/951873586.db2.gz RWOAALDCSXOBBR-SNVBAGLBSA-N 2 2 360.447 0.831 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105188 951891021 /nfs/dbraw/zinc/89/10/21/951891021.db2.gz HUZQKJFMZQIKFY-ZDUSSCGKSA-N 2 2 368.445 0.685 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575107101 951913076 /nfs/dbraw/zinc/91/30/76/951913076.db2.gz YVLRUCYBFHJKJL-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571078244 952127354 /nfs/dbraw/zinc/12/73/54/952127354.db2.gz NTYNDMAJERZMSQ-BBRMVZONSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571078244 952127358 /nfs/dbraw/zinc/12/73/58/952127358.db2.gz NTYNDMAJERZMSQ-BBRMVZONSA-N 2 2 370.461 0.571 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000292417984 214100154 /nfs/dbraw/zinc/10/01/54/214100154.db2.gz HSFIHSRIVYJZQY-WMLDXEAASA-N 2 2 362.478 0.382 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000292417984 214100155 /nfs/dbraw/zinc/10/01/55/214100155.db2.gz HSFIHSRIVYJZQY-WMLDXEAASA-N 2 2 362.478 0.382 20 0 FCADLP COc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(OC)n1 ZINC000292920654 214131913 /nfs/dbraw/zinc/13/19/13/214131913.db2.gz JWOADVGCYNATOL-UHFFFAOYSA-N 2 2 365.478 0.924 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293289558 214161087 /nfs/dbraw/zinc/16/10/87/214161087.db2.gz FYSCCKSEYKPZFM-UONOGXRCSA-N 2 2 359.430 0.807 20 0 FCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@@H](O)Cc1ccccc1 ZINC000293462949 214176330 /nfs/dbraw/zinc/17/63/30/214176330.db2.gz WVQYGNSFJJCMBH-SFHVURJKSA-N 2 2 363.502 0.749 20 0 FCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C[C@@H](O)Cc1ccccc1 ZINC000293462949 214176331 /nfs/dbraw/zinc/17/63/31/214176331.db2.gz WVQYGNSFJJCMBH-SFHVURJKSA-N 2 2 363.502 0.749 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934702 210251641 /nfs/dbraw/zinc/25/16/41/210251641.db2.gz YWLVWAVMHRBAMX-MOPGFXCFSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934702 210251644 /nfs/dbraw/zinc/25/16/44/210251644.db2.gz YWLVWAVMHRBAMX-MOPGFXCFSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934706 210251295 /nfs/dbraw/zinc/25/12/95/210251295.db2.gz YWLVWAVMHRBAMX-RBUKOAKNSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934706 210251300 /nfs/dbraw/zinc/25/13/00/210251300.db2.gz YWLVWAVMHRBAMX-RBUKOAKNSA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000295356754 214292961 /nfs/dbraw/zinc/29/29/61/214292961.db2.gz IYBBNWGDJHGYRM-GOSISDBHSA-N 2 2 361.486 0.937 20 0 FCADLP CC[NH+](CC)CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000296946960 214370841 /nfs/dbraw/zinc/37/08/41/214370841.db2.gz ASOXUXZMZPFTMY-HNNXBMFYSA-N 2 2 356.492 0.549 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865139 210238052 /nfs/dbraw/zinc/23/80/52/210238052.db2.gz GFHJOJCSLWSCOM-QZTJIDSGSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865139 210238056 /nfs/dbraw/zinc/23/80/56/210238056.db2.gz GFHJOJCSLWSCOM-QZTJIDSGSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265865139 210238060 /nfs/dbraw/zinc/23/80/60/210238060.db2.gz GFHJOJCSLWSCOM-QZTJIDSGSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265865139 210238066 /nfs/dbraw/zinc/23/80/66/210238066.db2.gz GFHJOJCSLWSCOM-QZTJIDSGSA-N 2 2 374.485 0.343 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000298939768 214636616 /nfs/dbraw/zinc/63/66/16/214636616.db2.gz PHOOOJNYPLOZLH-UHFFFAOYSA-N 2 2 358.446 0.652 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C(F)F)n1 ZINC000291008343 214008241 /nfs/dbraw/zinc/00/82/41/214008241.db2.gz DOWUWPHCINWANH-CYBMUJFWSA-N 2 2 357.405 0.380 20 0 FCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283177 529830315 /nfs/dbraw/zinc/83/03/15/529830315.db2.gz GSPCXVUOZDYQOP-IBGZPJMESA-N 2 2 360.458 0.543 20 0 FCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283177 529830316 /nfs/dbraw/zinc/83/03/16/529830316.db2.gz GSPCXVUOZDYQOP-IBGZPJMESA-N 2 2 360.458 0.543 20 0 FCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188283177 529830317 /nfs/dbraw/zinc/83/03/17/529830317.db2.gz GSPCXVUOZDYQOP-IBGZPJMESA-N 2 2 360.458 0.543 20 0 FCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188283177 529830318 /nfs/dbraw/zinc/83/03/18/529830318.db2.gz GSPCXVUOZDYQOP-IBGZPJMESA-N 2 2 360.458 0.543 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265647300 210187208 /nfs/dbraw/zinc/18/72/08/210187208.db2.gz MLIQPBOPXOUDKU-NJAFHUGGSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265647300 210187219 /nfs/dbraw/zinc/18/72/19/210187219.db2.gz MLIQPBOPXOUDKU-NJAFHUGGSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@H]1CCN(C)C1=O ZINC000265647300 210187222 /nfs/dbraw/zinc/18/72/22/210187222.db2.gz MLIQPBOPXOUDKU-NJAFHUGGSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@H]1CCN(C)C1=O ZINC000265647300 210187226 /nfs/dbraw/zinc/18/72/26/210187226.db2.gz MLIQPBOPXOUDKU-NJAFHUGGSA-N 2 2 358.486 0.928 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000265636491 210184132 /nfs/dbraw/zinc/18/41/32/210184132.db2.gz GXTKHYBWTIYNLU-UHFFFAOYSA-N 2 2 371.489 0.949 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410498727 529909024 /nfs/dbraw/zinc/90/90/24/529909024.db2.gz KXCARJYBLLSVOQ-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410498727 529909025 /nfs/dbraw/zinc/90/90/25/529909025.db2.gz KXCARJYBLLSVOQ-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175696118 529942007 /nfs/dbraw/zinc/94/20/07/529942007.db2.gz VVJMAWYLTYUDLF-QGZVFWFLSA-N 2 2 354.495 0.195 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175696100 529959905 /nfs/dbraw/zinc/95/99/05/529959905.db2.gz VVJMAWYLTYUDLF-KRWDZBQOSA-N 2 2 354.495 0.195 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000114075330 530056475 /nfs/dbraw/zinc/05/64/75/530056475.db2.gz VWXOISCSAOCDMU-QGZVFWFLSA-N 2 2 360.458 0.781 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000114075330 530056476 /nfs/dbraw/zinc/05/64/76/530056476.db2.gz VWXOISCSAOCDMU-QGZVFWFLSA-N 2 2 360.458 0.781 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000264923729 530056731 /nfs/dbraw/zinc/05/67/31/530056731.db2.gz WPUSTYPDWJIXPM-JKSUJKDBSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000264923729 530056732 /nfs/dbraw/zinc/05/67/32/530056732.db2.gz WPUSTYPDWJIXPM-JKSUJKDBSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000264923729 530056733 /nfs/dbraw/zinc/05/67/33/530056733.db2.gz WPUSTYPDWJIXPM-JKSUJKDBSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000264923729 530056734 /nfs/dbraw/zinc/05/67/34/530056734.db2.gz WPUSTYPDWJIXPM-JKSUJKDBSA-N 2 2 374.489 0.492 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000265439386 210135562 /nfs/dbraw/zinc/13/55/62/210135562.db2.gz HVUHOZRRYZHNSU-QZTJIDSGSA-N 2 2 374.533 0.344 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000265439388 210135515 /nfs/dbraw/zinc/13/55/15/210135515.db2.gz HVUHOZRRYZHNSU-ZWKOTPCHSA-N 2 2 374.533 0.344 20 0 FCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000331506356 215007937 /nfs/dbraw/zinc/00/79/37/215007937.db2.gz ZQQDMTZTWXDQRY-UXLLHSPISA-N 2 2 374.485 0.719 20 0 FCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000331506356 215007940 /nfs/dbraw/zinc/00/79/40/215007940.db2.gz ZQQDMTZTWXDQRY-UXLLHSPISA-N 2 2 374.485 0.719 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528642 215009661 /nfs/dbraw/zinc/00/96/61/215009661.db2.gz ONEFSMAJYXLXOD-MWDXBVQZSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528642 215009666 /nfs/dbraw/zinc/00/96/66/215009666.db2.gz ONEFSMAJYXLXOD-MWDXBVQZSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528642 215009670 /nfs/dbraw/zinc/00/96/70/215009670.db2.gz ONEFSMAJYXLXOD-MWDXBVQZSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528642 215009671 /nfs/dbraw/zinc/00/96/71/215009671.db2.gz ONEFSMAJYXLXOD-MWDXBVQZSA-N 2 2 366.506 0.249 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000265238253 210079694 /nfs/dbraw/zinc/07/96/94/210079694.db2.gz SKLFCUMODFBVHQ-UHFFFAOYSA-N 2 2 371.503 0.491 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000265238253 210079696 /nfs/dbraw/zinc/07/96/96/210079696.db2.gz SKLFCUMODFBVHQ-UHFFFAOYSA-N 2 2 371.503 0.491 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000265240462 210078982 /nfs/dbraw/zinc/07/89/82/210078982.db2.gz LCFJNRPKDFJTQA-SFHVURJKSA-N 2 2 360.502 0.927 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000265240462 210078990 /nfs/dbraw/zinc/07/89/90/210078990.db2.gz LCFJNRPKDFJTQA-SFHVURJKSA-N 2 2 360.502 0.927 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000331636358 215026268 /nfs/dbraw/zinc/02/62/68/215026268.db2.gz SERSTAXNKNFMSS-OAGGEKHMSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000331636358 215026271 /nfs/dbraw/zinc/02/62/71/215026271.db2.gz SERSTAXNKNFMSS-OAGGEKHMSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)Nc1nc(CNC(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC000265149257 210064915 /nfs/dbraw/zinc/06/49/15/210064915.db2.gz YEYPEFVYOPOOLK-CHWSQXEVSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)Nc1nc(CNC(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC000265149257 210064921 /nfs/dbraw/zinc/06/49/21/210064921.db2.gz YEYPEFVYOPOOLK-CHWSQXEVSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NCc1csc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000265149257 210064925 /nfs/dbraw/zinc/06/49/25/210064925.db2.gz YEYPEFVYOPOOLK-CHWSQXEVSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NCc1csc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000265149257 210064927 /nfs/dbraw/zinc/06/49/27/210064927.db2.gz YEYPEFVYOPOOLK-CHWSQXEVSA-N 2 2 351.476 0.886 20 0 FCADLP NC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331812300 215049860 /nfs/dbraw/zinc/04/98/60/215049860.db2.gz FMVDLEUDWJKDMM-CQSZACIVSA-N 2 2 351.476 0.135 20 0 FCADLP NC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331812300 215049864 /nfs/dbraw/zinc/04/98/64/215049864.db2.gz FMVDLEUDWJKDMM-CQSZACIVSA-N 2 2 351.476 0.135 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834325 215053863 /nfs/dbraw/zinc/05/38/63/215053863.db2.gz BTJIDRPIFDHEBZ-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834325 215053865 /nfs/dbraw/zinc/05/38/65/215053865.db2.gz BTJIDRPIFDHEBZ-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000331834325 215053868 /nfs/dbraw/zinc/05/38/68/215053868.db2.gz BTJIDRPIFDHEBZ-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000331834325 215053872 /nfs/dbraw/zinc/05/38/72/215053872.db2.gz BTJIDRPIFDHEBZ-HZPDHXFCSA-N 2 2 368.478 0.324 20 0 FCADLP CC[C@H]1COCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332033256 215082041 /nfs/dbraw/zinc/08/20/41/215082041.db2.gz HXYDREMCMNKIQH-INIZCTEOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCS1 ZINC000332020724 215079713 /nfs/dbraw/zinc/07/97/13/215079713.db2.gz FVLMVGMKZKNTLV-CQSZACIVSA-N 2 2 368.547 0.625 20 0 FCADLP O=C(CC[N@H+]1CCSC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332065557 215085986 /nfs/dbraw/zinc/08/59/86/215085986.db2.gz RRGANCOFXAOBRA-MRXNPFEDSA-N 2 2 364.515 0.920 20 0 FCADLP O=C(CC[N@@H+]1CCSC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332065557 215085991 /nfs/dbraw/zinc/08/59/91/215085991.db2.gz RRGANCOFXAOBRA-MRXNPFEDSA-N 2 2 364.515 0.920 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000332176216 215105591 /nfs/dbraw/zinc/10/55/91/215105591.db2.gz XKJWYMNPAYNZHH-ZFWWWQNUSA-N 2 2 374.489 0.363 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000332181563 215106052 /nfs/dbraw/zinc/10/60/52/215106052.db2.gz ZBYPUNVBCYZYFS-NVXWUHKLSA-N 2 2 359.474 0.447 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@@H]1C ZINC000332401051 215145629 /nfs/dbraw/zinc/14/56/29/215145629.db2.gz YEIVNFSEYQWKAJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@@H]1C ZINC000332401051 215145631 /nfs/dbraw/zinc/14/56/31/215145631.db2.gz YEIVNFSEYQWKAJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@@H]1C ZINC000332401051 215145635 /nfs/dbraw/zinc/14/56/35/215145635.db2.gz YEIVNFSEYQWKAJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@@H]1C ZINC000332401051 215145638 /nfs/dbraw/zinc/14/56/38/215145638.db2.gz YEIVNFSEYQWKAJ-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000332533306 215170383 /nfs/dbraw/zinc/17/03/83/215170383.db2.gz HXWCSSGODGQIDU-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000332533310 215171318 /nfs/dbraw/zinc/17/13/18/215171318.db2.gz HXYPTTRCVNUNNE-ZFWWWQNUSA-N 2 2 360.462 0.162 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332551516 215176321 /nfs/dbraw/zinc/17/63/21/215176321.db2.gz PVEITUIAKMCWSF-QGZVFWFLSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332551516 215176324 /nfs/dbraw/zinc/17/63/24/215176324.db2.gz PVEITUIAKMCWSF-QGZVFWFLSA-N 2 2 366.506 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000332572199 215180863 /nfs/dbraw/zinc/18/08/63/215180863.db2.gz BXKIJXGRONGDIX-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000332572199 215180866 /nfs/dbraw/zinc/18/08/66/215180866.db2.gz BXKIJXGRONGDIX-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000332573178 215181974 /nfs/dbraw/zinc/18/19/74/215181974.db2.gz ZPWKSHJRVTWKAQ-OAHLLOKOSA-N 2 2 374.489 0.377 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000332688774 215204802 /nfs/dbraw/zinc/20/48/02/215204802.db2.gz QKJCATXMFHFHRD-HZMVEIRTSA-N 2 2 366.506 0.284 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CCN1C ZINC000333082856 215232630 /nfs/dbraw/zinc/23/26/30/215232630.db2.gz QUSAUXZHAIBQSH-HNNXBMFYSA-N 2 2 350.467 0.141 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CCN1C ZINC000333082856 215232634 /nfs/dbraw/zinc/23/26/34/215232634.db2.gz QUSAUXZHAIBQSH-HNNXBMFYSA-N 2 2 350.467 0.141 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1[NH+]1CCOCC1 ZINC000333318872 215263448 /nfs/dbraw/zinc/26/34/48/215263448.db2.gz WOYZIXXMQYCRSM-UKRRQHHQSA-N 2 2 350.467 0.348 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000333492690 215288339 /nfs/dbraw/zinc/28/83/39/215288339.db2.gz VCYJGKJPDWIDRK-HZPDHXFCSA-N 2 2 374.489 0.709 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000333454985 215284627 /nfs/dbraw/zinc/28/46/27/215284627.db2.gz YBGOSWVCIGLSDS-SOUVJXGZSA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[nH+]cn1 ZINC000333454985 215284630 /nfs/dbraw/zinc/28/46/30/215284630.db2.gz YBGOSWVCIGLSDS-SOUVJXGZSA-N 2 2 359.478 0.738 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000333686262 215308802 /nfs/dbraw/zinc/30/88/02/215308802.db2.gz BNGXOAVUZIFJPG-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CN(C(=O)[C@]1(C)CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000333739361 215315003 /nfs/dbraw/zinc/31/50/03/215315003.db2.gz QWOFRQKXBQHPMP-IBGZPJMESA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+]1CCN(C(=O)C(C)(C)OC(C)(C)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000333820884 215322666 /nfs/dbraw/zinc/32/26/66/215322666.db2.gz JURLLIMWLIRJGJ-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333796077 215320441 /nfs/dbraw/zinc/32/04/41/215320441.db2.gz HAIOYJVNBJNJNX-SJORKVTESA-N 2 2 365.522 0.714 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000333811789 215321364 /nfs/dbraw/zinc/32/13/64/215321364.db2.gz GUXINQPUYYAOIE-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C ZINC000333811789 215321366 /nfs/dbraw/zinc/32/13/66/215321366.db2.gz GUXINQPUYYAOIE-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333899647 215329281 /nfs/dbraw/zinc/32/92/81/215329281.db2.gz ZPOSINZWINZQCZ-HOTGVXAUSA-N 2 2 351.495 0.467 20 0 FCADLP CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC000285795956 213397180 /nfs/dbraw/zinc/39/71/80/213397180.db2.gz CUAVYTBSNQAOJY-CVEARBPZSA-N 2 2 372.473 0.218 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000334126357 215346947 /nfs/dbraw/zinc/34/69/47/215346947.db2.gz PQXQAMKLXDMMQJ-CYBMUJFWSA-N 2 2 358.450 0.289 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000334126357 215346949 /nfs/dbraw/zinc/34/69/49/215346949.db2.gz PQXQAMKLXDMMQJ-CYBMUJFWSA-N 2 2 358.450 0.289 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCNC1=O ZINC000285631952 213370190 /nfs/dbraw/zinc/37/01/90/213370190.db2.gz CXFNAUZOCSEYEU-GOSISDBHSA-N 2 2 371.485 0.430 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCNC1=O ZINC000285631952 213370193 /nfs/dbraw/zinc/37/01/93/213370193.db2.gz CXFNAUZOCSEYEU-GOSISDBHSA-N 2 2 371.485 0.430 20 0 FCADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000360830678 215370645 /nfs/dbraw/zinc/37/06/45/215370645.db2.gz QJWAQWMSGKFXRS-VQTJNVASSA-N 2 2 372.513 0.436 20 0 FCADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000360830678 215370649 /nfs/dbraw/zinc/37/06/49/215370649.db2.gz QJWAQWMSGKFXRS-VQTJNVASSA-N 2 2 372.513 0.436 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000285358717 213330853 /nfs/dbraw/zinc/33/08/53/213330853.db2.gz WLQUGIUYCRMVLQ-UHFFFAOYSA-N 2 2 365.503 0.514 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000285095766 213283206 /nfs/dbraw/zinc/28/32/06/213283206.db2.gz KCWQWTWVBSGQHC-UHFFFAOYSA-N 2 2 363.462 0.227 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000284984068 213262809 /nfs/dbraw/zinc/26/28/09/213262809.db2.gz GYLRNNUJGNPLME-WZYMTQMTSA-N 2 2 362.478 0.654 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000284984068 213262812 /nfs/dbraw/zinc/26/28/12/213262812.db2.gz GYLRNNUJGNPLME-WZYMTQMTSA-N 2 2 362.478 0.654 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C1CC1 ZINC000284621803 213181978 /nfs/dbraw/zinc/18/19/78/213181978.db2.gz YFBHXPACCHDFIY-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C1CC1 ZINC000284621803 213181981 /nfs/dbraw/zinc/18/19/81/213181981.db2.gz YFBHXPACCHDFIY-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284515017 213158893 /nfs/dbraw/zinc/15/88/93/213158893.db2.gz NDHJNCGIHMMWCH-UHFFFAOYSA-N 2 2 362.397 0.973 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000284332956 213113237 /nfs/dbraw/zinc/11/32/37/213113237.db2.gz WONBCATXUMOGAI-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000284321925 213110250 /nfs/dbraw/zinc/11/02/50/213110250.db2.gz JJIHYIIZIDCYDT-AWEZNQCLSA-N 2 2 359.430 0.973 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000284164696 213088929 /nfs/dbraw/zinc/08/89/29/213088929.db2.gz ZQOFOPMBPKCUJU-CQSZACIVSA-N 2 2 372.429 0.140 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000284076180 213068894 /nfs/dbraw/zinc/06/88/94/213068894.db2.gz UXRZSIKAJQNLLG-HZPDHXFCSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000284076180 213068897 /nfs/dbraw/zinc/06/88/97/213068897.db2.gz UXRZSIKAJQNLLG-HZPDHXFCSA-N 2 2 369.469 0.951 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000284067539 213067450 /nfs/dbraw/zinc/06/74/50/213067450.db2.gz UNZCMFONUNDRMC-AWEZNQCLSA-N 2 2 361.446 0.880 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000284037258 213060907 /nfs/dbraw/zinc/06/09/07/213060907.db2.gz RAGDRJDOLAGMNL-UHFFFAOYSA-N 2 2 355.442 0.912 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000283977898 213046724 /nfs/dbraw/zinc/04/67/24/213046724.db2.gz PBCHZFXUJWQBTH-OAHLLOKOSA-N 2 2 363.462 0.149 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283988809 213049394 /nfs/dbraw/zinc/04/93/94/213049394.db2.gz NAVBYOCNHLIVBD-HNNXBMFYSA-N 2 2 357.458 0.984 20 0 FCADLP O=C1NC(=O)C2(CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)N1 ZINC000283982682 213048946 /nfs/dbraw/zinc/04/89/46/213048946.db2.gz FVAXQCOPZONWBJ-KRWDZBQOSA-N 2 2 372.469 0.952 20 0 FCADLP O=C1NC(=O)C2(CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)N1 ZINC000283982682 213048948 /nfs/dbraw/zinc/04/89/48/213048948.db2.gz FVAXQCOPZONWBJ-KRWDZBQOSA-N 2 2 372.469 0.952 20 0 FCADLP O=C1NC(=O)C2(CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)N1 ZINC000283982691 213048297 /nfs/dbraw/zinc/04/82/97/213048297.db2.gz FVAXQCOPZONWBJ-QGZVFWFLSA-N 2 2 372.469 0.952 20 0 FCADLP O=C1NC(=O)C2(CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)N1 ZINC000283982691 213048299 /nfs/dbraw/zinc/04/82/99/213048299.db2.gz FVAXQCOPZONWBJ-QGZVFWFLSA-N 2 2 372.469 0.952 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000283945266 213040521 /nfs/dbraw/zinc/04/05/21/213040521.db2.gz MQKUJPSHPXWIRD-UHFFFAOYSA-N 2 2 373.432 0.873 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000283945266 213040524 /nfs/dbraw/zinc/04/05/24/213040524.db2.gz MQKUJPSHPXWIRD-UHFFFAOYSA-N 2 2 373.432 0.873 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000283941522 213039855 /nfs/dbraw/zinc/03/98/55/213039855.db2.gz KSRINMWWEAKMJH-HIFRSBDPSA-N 2 2 355.442 0.734 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@H+]1C1CC1 ZINC000283941522 213039857 /nfs/dbraw/zinc/03/98/57/213039857.db2.gz KSRINMWWEAKMJH-HIFRSBDPSA-N 2 2 355.442 0.734 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000283892210 213028305 /nfs/dbraw/zinc/02/83/05/213028305.db2.gz LRDBIDYFYAJRSX-HNNXBMFYSA-N 2 2 365.478 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283888746 213028345 /nfs/dbraw/zinc/02/83/45/213028345.db2.gz IFPAWJZEWMWOIS-CJNGLKHVSA-N 2 2 355.442 0.592 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283888746 213028348 /nfs/dbraw/zinc/02/83/48/213028348.db2.gz IFPAWJZEWMWOIS-CJNGLKHVSA-N 2 2 355.442 0.592 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283867148 213022896 /nfs/dbraw/zinc/02/28/96/213022896.db2.gz BTHLVZIOUXPUHA-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000411928293 237110111 /nfs/dbraw/zinc/11/01/11/237110111.db2.gz BAYOEZAPFAYOEP-QGZVFWFLSA-N 2 2 374.485 0.867 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000411928293 237110117 /nfs/dbraw/zinc/11/01/17/237110117.db2.gz BAYOEZAPFAYOEP-QGZVFWFLSA-N 2 2 374.485 0.867 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411945136 237117955 /nfs/dbraw/zinc/11/79/55/237117955.db2.gz PAONZTAWBAPPAB-CVEARBPZSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411945136 237117962 /nfs/dbraw/zinc/11/79/62/237117962.db2.gz PAONZTAWBAPPAB-CVEARBPZSA-N 2 2 359.474 0.529 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000412434023 237207191 /nfs/dbraw/zinc/20/71/91/237207191.db2.gz FRBRAODGLRKULB-GOSISDBHSA-N 2 2 369.506 0.435 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000412434023 237207205 /nfs/dbraw/zinc/20/72/05/237207205.db2.gz FRBRAODGLRKULB-GOSISDBHSA-N 2 2 369.506 0.435 20 0 FCADLP CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000366853828 216041870 /nfs/dbraw/zinc/04/18/70/216041870.db2.gz LTDXSMICHJJDDY-ZDUSSCGKSA-N 2 2 370.475 0.086 20 0 FCADLP CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000366853828 216041873 /nfs/dbraw/zinc/04/18/73/216041873.db2.gz LTDXSMICHJJDDY-ZDUSSCGKSA-N 2 2 370.475 0.086 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000366857641 216043235 /nfs/dbraw/zinc/04/32/35/216043235.db2.gz XFDKBLFKWSBNKO-MDZRGWNJSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000366857641 216043238 /nfs/dbraw/zinc/04/32/38/216043238.db2.gz XFDKBLFKWSBNKO-MDZRGWNJSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367309593 216105127 /nfs/dbraw/zinc/10/51/27/216105127.db2.gz XEJPWHKWZRBTSY-UHFFFAOYSA-N 2 2 362.474 0.893 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000367340008 216108432 /nfs/dbraw/zinc/10/84/32/216108432.db2.gz RZRPHZIFONWSCA-HNNXBMFYSA-N 2 2 363.510 0.395 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000367340008 216108434 /nfs/dbraw/zinc/10/84/34/216108434.db2.gz RZRPHZIFONWSCA-HNNXBMFYSA-N 2 2 363.510 0.395 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367806825 216164731 /nfs/dbraw/zinc/16/47/31/216164731.db2.gz QYJPZKOEZPZLBT-LTIDMASMSA-N 2 2 352.479 0.354 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367806825 216164734 /nfs/dbraw/zinc/16/47/34/216164734.db2.gz QYJPZKOEZPZLBT-LTIDMASMSA-N 2 2 352.479 0.354 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261701223 209469645 /nfs/dbraw/zinc/46/96/45/209469645.db2.gz BMPFIHVZWYJHKS-CYBMUJFWSA-N 2 2 355.364 0.829 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067366 216198356 /nfs/dbraw/zinc/19/83/56/216198356.db2.gz WTUKKUUYVSWZLK-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CCCO1 ZINC000368067366 216198358 /nfs/dbraw/zinc/19/83/58/216198358.db2.gz WTUKKUUYVSWZLK-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCO1 ZINC000368067366 216198360 /nfs/dbraw/zinc/19/83/60/216198360.db2.gz WTUKKUUYVSWZLK-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCO1 ZINC000368067366 216198364 /nfs/dbraw/zinc/19/83/64/216198364.db2.gz WTUKKUUYVSWZLK-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180786 216212029 /nfs/dbraw/zinc/21/20/29/216212029.db2.gz POFNWUNAFMRILB-RBSFLKMASA-N 2 2 355.479 0.628 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180786 216212030 /nfs/dbraw/zinc/21/20/30/216212030.db2.gz POFNWUNAFMRILB-RBSFLKMASA-N 2 2 355.479 0.628 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC000246348068 209384523 /nfs/dbraw/zinc/38/45/23/209384523.db2.gz CTVWPEOWOPNMLP-MLHJIOFPSA-N 2 2 368.522 0.990 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246392627 209384404 /nfs/dbraw/zinc/38/44/04/209384404.db2.gz ITQXVAYJDHKIDF-ZWKOTPCHSA-N 2 2 362.474 0.690 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246392627 209384408 /nfs/dbraw/zinc/38/44/08/209384408.db2.gz ITQXVAYJDHKIDF-ZWKOTPCHSA-N 2 2 362.474 0.690 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000246469192 209388187 /nfs/dbraw/zinc/38/81/87/209388187.db2.gz VILQZEXGZICRLG-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000246469192 209388193 /nfs/dbraw/zinc/38/81/93/209388193.db2.gz VILQZEXGZICRLG-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245432033 209368283 /nfs/dbraw/zinc/36/82/83/209368283.db2.gz BBYUCUANIVMYQP-HOTGVXAUSA-N 2 2 350.507 0.907 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245432033 209368284 /nfs/dbraw/zinc/36/82/84/209368284.db2.gz BBYUCUANIVMYQP-HOTGVXAUSA-N 2 2 350.507 0.907 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000246197892 209382024 /nfs/dbraw/zinc/38/20/24/209382024.db2.gz VFYBFHFNAPFKON-HUUCEWRRSA-N 2 2 353.511 0.711 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000246197892 209382027 /nfs/dbraw/zinc/38/20/27/209382027.db2.gz VFYBFHFNAPFKON-HUUCEWRRSA-N 2 2 353.511 0.711 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000245900927 209375611 /nfs/dbraw/zinc/37/56/11/209375611.db2.gz GCSWOEKOJYHUBX-HZPDHXFCSA-N 2 2 353.511 0.569 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000245900927 209375616 /nfs/dbraw/zinc/37/56/16/209375616.db2.gz GCSWOEKOJYHUBX-HZPDHXFCSA-N 2 2 353.511 0.569 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000245684178 209372962 /nfs/dbraw/zinc/37/29/62/209372962.db2.gz GUHURVVDAUBDNC-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP [NH3+][C@@H]1CCN(C(=O)CS(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000237913970 209360821 /nfs/dbraw/zinc/36/08/21/209360821.db2.gz MHLHCOBALSZKFF-CQSZACIVSA-N 2 2 366.487 0.978 20 0 FCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237828241 209357658 /nfs/dbraw/zinc/35/76/58/209357658.db2.gz KUTZXYNTTCJQFU-GOSISDBHSA-N 2 2 364.465 0.833 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237463186 209352860 /nfs/dbraw/zinc/35/28/60/209352860.db2.gz PSFNPLMMXYAANY-RDTXWAMCSA-N 2 2 356.470 0.512 20 0 FCADLP COCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000194605672 209326706 /nfs/dbraw/zinc/32/67/06/209326706.db2.gz IIWYEPOOXXHUBJ-UHFFFAOYSA-N 2 2 366.531 0.656 20 0 FCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000193566853 209314686 /nfs/dbraw/zinc/31/46/86/209314686.db2.gz UBBLIEUJMYXWCN-BBRMVZONSA-N 2 2 350.488 0.507 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391867 216240996 /nfs/dbraw/zinc/24/09/96/216240996.db2.gz YKQRYJJVZKHHDC-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391867 216240999 /nfs/dbraw/zinc/24/09/99/216240999.db2.gz YKQRYJJVZKHHDC-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccc(F)cc3)C2)CC1 ZINC000369258113 216373065 /nfs/dbraw/zinc/37/30/65/216373065.db2.gz UVYASNJNFWKWTA-MRXNPFEDSA-N 2 2 362.449 0.840 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccc(F)cc3)C2)CC1 ZINC000369258113 216373067 /nfs/dbraw/zinc/37/30/67/216373067.db2.gz UVYASNJNFWKWTA-MRXNPFEDSA-N 2 2 362.449 0.840 20 0 FCADLP CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273695 216373789 /nfs/dbraw/zinc/37/37/89/216373789.db2.gz IRIRKPBHLLHVRL-GOEBONIOSA-N 2 2 368.547 0.973 20 0 FCADLP CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273695 216373790 /nfs/dbraw/zinc/37/37/90/216373790.db2.gz IRIRKPBHLLHVRL-GOEBONIOSA-N 2 2 368.547 0.973 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271432 216374510 /nfs/dbraw/zinc/37/45/10/216374510.db2.gz QULSWODKSYOVMR-QGZVFWFLSA-N 2 2 353.507 0.937 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(-n4cnnn4)c3)C2)CC1 ZINC000369274277 216376592 /nfs/dbraw/zinc/37/65/92/216376592.db2.gz NUDJYPKTZFKTTG-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(-n4cnnn4)c3)C2)CC1 ZINC000369274277 216376594 /nfs/dbraw/zinc/37/65/94/216376594.db2.gz NUDJYPKTZFKTTG-OAHLLOKOSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c4nc(=O)[nH]c(=O)c-4c3)C2)CC1 ZINC000369275808 216377548 /nfs/dbraw/zinc/37/75/48/216377548.db2.gz YWTIZKBLXVRQKE-LBPRGKRZSA-N 2 2 372.429 0.334 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c4nc(=O)[nH]c(=O)c-4c3)C2)CC1 ZINC000369275808 216377550 /nfs/dbraw/zinc/37/75/50/216377550.db2.gz YWTIZKBLXVRQKE-LBPRGKRZSA-N 2 2 372.429 0.334 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1CO ZINC000190357693 209270636 /nfs/dbraw/zinc/27/06/36/209270636.db2.gz HFSOOBKPKIKWHZ-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372348 216392183 /nfs/dbraw/zinc/39/21/83/216392183.db2.gz IHEUSAMZLZDHCC-QGZVFWFLSA-N 3 2 367.538 0.519 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372348 216392185 /nfs/dbraw/zinc/39/21/85/216392185.db2.gz IHEUSAMZLZDHCC-QGZVFWFLSA-N 3 2 367.538 0.519 20 0 FCADLP COCCO[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000189738376 209259092 /nfs/dbraw/zinc/25/90/92/209259092.db2.gz OLUUEFSNTZCRRL-QGZVFWFLSA-N 2 2 362.474 0.858 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000189562884 209255321 /nfs/dbraw/zinc/25/53/21/209255321.db2.gz XDGBEVNGEHYRCI-INIZCTEOSA-N 3 2 369.554 0.499 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000189562884 209255324 /nfs/dbraw/zinc/25/53/24/209255324.db2.gz XDGBEVNGEHYRCI-INIZCTEOSA-N 3 2 369.554 0.499 20 0 FCADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188766117 209239201 /nfs/dbraw/zinc/23/92/01/209239201.db2.gz VBMOSYBEHMGCSD-MRXNPFEDSA-N 2 2 369.469 0.729 20 0 FCADLP Cn1c(=O)cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)n(C)c1=O ZINC000188287876 209227755 /nfs/dbraw/zinc/22/77/55/209227755.db2.gz TYBRTIDLOAUNKP-HXUWFJFHSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1c(=O)cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n(C)c1=O ZINC000188287876 209227765 /nfs/dbraw/zinc/22/77/65/209227765.db2.gz TYBRTIDLOAUNKP-HXUWFJFHSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1c(=O)cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n(C)c1=O ZINC000188287876 209227770 /nfs/dbraw/zinc/22/77/70/209227770.db2.gz TYBRTIDLOAUNKP-HXUWFJFHSA-N 2 2 372.469 0.153 20 0 FCADLP C[N@H+](CC(=O)NC1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188303017 209227054 /nfs/dbraw/zinc/22/70/54/209227054.db2.gz LWLVAICGGYQHTM-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188303017 209227062 /nfs/dbraw/zinc/22/70/62/209227062.db2.gz LWLVAICGGYQHTM-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188303017 209227064 /nfs/dbraw/zinc/22/70/64/209227064.db2.gz LWLVAICGGYQHTM-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)c2C1 ZINC000187546246 209214730 /nfs/dbraw/zinc/21/47/30/209214730.db2.gz FRGAMYYIDWABAO-OAHLLOKOSA-N 2 2 374.485 0.876 20 0 FCADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)c2C1 ZINC000187546246 209214732 /nfs/dbraw/zinc/21/47/32/209214732.db2.gz FRGAMYYIDWABAO-OAHLLOKOSA-N 2 2 374.485 0.876 20 0 FCADLP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1CCO ZINC000187301950 209210942 /nfs/dbraw/zinc/21/09/42/209210942.db2.gz LGIDXWNFLWXNQY-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1CCO ZINC000187301950 209210945 /nfs/dbraw/zinc/21/09/45/209210945.db2.gz LGIDXWNFLWXNQY-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+]1CCO ZINC000187301950 209210947 /nfs/dbraw/zinc/21/09/47/209210947.db2.gz LGIDXWNFLWXNQY-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+]1CCO ZINC000187301950 209210950 /nfs/dbraw/zinc/21/09/50/209210950.db2.gz LGIDXWNFLWXNQY-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000187072505 209203051 /nfs/dbraw/zinc/20/30/51/209203051.db2.gz VCJRXMZOLFCVKI-OAHLLOKOSA-N 2 2 370.519 0.735 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000187072505 209203055 /nfs/dbraw/zinc/20/30/55/209203055.db2.gz VCJRXMZOLFCVKI-OAHLLOKOSA-N 2 2 370.519 0.735 20 0 FCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186611719 209192115 /nfs/dbraw/zinc/19/21/15/209192115.db2.gz LJUQFHQPBSKISA-OAHLLOKOSA-N 2 2 355.442 0.768 20 0 FCADLP CCN1C[C@H](C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC000275675982 212071914 /nfs/dbraw/zinc/07/19/14/212071914.db2.gz LYIPYLJYSJVOAL-HUUCEWRRSA-N 2 2 359.474 0.759 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccc(O)c1 ZINC000275400415 212020075 /nfs/dbraw/zinc/02/00/75/212020075.db2.gz YAQBCZRVAWZRIZ-UHFFFAOYSA-N 2 2 362.474 0.606 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccc(O)c1 ZINC000275400415 212020078 /nfs/dbraw/zinc/02/00/78/212020078.db2.gz YAQBCZRVAWZRIZ-UHFFFAOYSA-N 2 2 362.474 0.606 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCOCC1 ZINC000414816789 245326197 /nfs/dbraw/zinc/32/61/97/245326197.db2.gz QRODFLHALABCSH-UONOGXRCSA-N 2 2 360.458 0.496 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000415235842 245364282 /nfs/dbraw/zinc/36/42/82/245364282.db2.gz XEHOFZNEGIUORX-PBHICJAKSA-N 2 2 360.458 0.666 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000415226487 245366155 /nfs/dbraw/zinc/36/61/55/245366155.db2.gz IZPWXORNICFIEO-PBHICJAKSA-N 2 2 360.458 0.666 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509327 217025946 /nfs/dbraw/zinc/02/59/46/217025946.db2.gz OHGYVTPHVKDVFD-QFBILLFUSA-N 2 2 364.534 0.915 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509327 217025948 /nfs/dbraw/zinc/02/59/48/217025948.db2.gz OHGYVTPHVKDVFD-QFBILLFUSA-N 2 2 364.534 0.915 20 0 FCADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000373526404 217028951 /nfs/dbraw/zinc/02/89/51/217028951.db2.gz CRHXRPSEWZIPEU-MSOLQXFVSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000373526404 217028953 /nfs/dbraw/zinc/02/89/53/217028953.db2.gz CRHXRPSEWZIPEU-MSOLQXFVSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373526404 217028955 /nfs/dbraw/zinc/02/89/55/217028955.db2.gz CRHXRPSEWZIPEU-MSOLQXFVSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373526404 217028958 /nfs/dbraw/zinc/02/89/58/217028958.db2.gz CRHXRPSEWZIPEU-MSOLQXFVSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)CC1 ZINC000373867433 217069110 /nfs/dbraw/zinc/06/91/10/217069110.db2.gz ADZKZWWZGUFFNP-BSEYFRJRSA-N 2 2 356.536 0.755 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)CC1 ZINC000373867433 217069113 /nfs/dbraw/zinc/06/91/13/217069113.db2.gz ADZKZWWZGUFFNP-BSEYFRJRSA-N 2 2 356.536 0.755 20 0 FCADLP C[NH+]1CCC(CNC(=O)c2ccc(C(N)=O)nc2)([NH+]2CCCCC2)CC1 ZINC000374145586 217101069 /nfs/dbraw/zinc/10/10/69/217101069.db2.gz UGHGLIFLUGHLIJ-UHFFFAOYSA-N 2 2 359.474 0.861 20 0 FCADLP CC1=C(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)n2ncnc2N1C ZINC000374232269 217110346 /nfs/dbraw/zinc/11/03/46/217110346.db2.gz RWNAFKSWFAXMPF-HUUCEWRRSA-N 2 2 373.505 0.848 20 0 FCADLP CC1=C(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)n2ncnc2N1C ZINC000374232269 217110349 /nfs/dbraw/zinc/11/03/49/217110349.db2.gz RWNAFKSWFAXMPF-HUUCEWRRSA-N 2 2 373.505 0.848 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621501 217149281 /nfs/dbraw/zinc/14/92/81/217149281.db2.gz WHWXCXLRHZTVNF-GJZGRUSLSA-N 2 2 364.494 0.868 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621501 217149283 /nfs/dbraw/zinc/14/92/83/217149283.db2.gz WHWXCXLRHZTVNF-GJZGRUSLSA-N 2 2 364.494 0.868 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000374753248 217167832 /nfs/dbraw/zinc/16/78/32/217167832.db2.gz ZBWLLJMBUQNJOH-JKSUJKDBSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C)c1ncnc(Cl)c1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374912477 217189037 /nfs/dbraw/zinc/18/90/37/217189037.db2.gz KNLTXZNPHXRQQT-UHFFFAOYSA-N 2 2 369.897 0.855 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183604576 209150672 /nfs/dbraw/zinc/15/06/72/209150672.db2.gz YSZDTJPSXZGOGK-OAHLLOKOSA-N 2 2 359.474 0.916 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCN1CCCn1cc[nH+]c1 ZINC000183193049 209142745 /nfs/dbraw/zinc/14/27/45/209142745.db2.gz ILQGVRMHQJLXHL-SFHVURJKSA-N 3 2 373.505 0.634 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCN1CCCn1cc[nH+]c1 ZINC000183193049 209142749 /nfs/dbraw/zinc/14/27/49/209142749.db2.gz ILQGVRMHQJLXHL-SFHVURJKSA-N 3 2 373.505 0.634 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@H+](CCCn2ccnc2)CCN1CCCn1cc[nH+]c1 ZINC000183193049 209142751 /nfs/dbraw/zinc/14/27/51/209142751.db2.gz ILQGVRMHQJLXHL-SFHVURJKSA-N 2 2 373.505 0.634 20 0 FCADLP CN(C)C(=O)[C@@H]1C[N@@H+](CCCn2ccnc2)CCN1CCCn1cc[nH+]c1 ZINC000183193049 209142755 /nfs/dbraw/zinc/14/27/55/209142755.db2.gz ILQGVRMHQJLXHL-SFHVURJKSA-N 2 2 373.505 0.634 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000182905137 209138616 /nfs/dbraw/zinc/13/86/16/209138616.db2.gz NBFXBUXQHQCWON-PBHICJAKSA-N 2 2 367.515 0.907 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000182905137 209138617 /nfs/dbraw/zinc/13/86/17/209138617.db2.gz NBFXBUXQHQCWON-PBHICJAKSA-N 2 2 367.515 0.907 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376324239 217385142 /nfs/dbraw/zinc/38/51/42/217385142.db2.gz SNVRIPKNQSBGNB-ZACQAIPSSA-N 2 2 354.495 0.602 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376324239 217385145 /nfs/dbraw/zinc/38/51/45/217385145.db2.gz SNVRIPKNQSBGNB-ZACQAIPSSA-N 2 2 354.495 0.602 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000419122783 245996949 /nfs/dbraw/zinc/99/69/49/245996949.db2.gz UQMBEYGYUQKASL-OAHLLOKOSA-N 2 2 356.511 0.483 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419156273 246022368 /nfs/dbraw/zinc/02/23/68/246022368.db2.gz SVVNKAGUIIEKAS-HOTGVXAUSA-N 2 2 369.469 0.951 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419131156 246007305 /nfs/dbraw/zinc/00/73/05/246007305.db2.gz CMABONBXCKSCPE-UHFFFAOYSA-N 2 2 357.458 0.810 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000419146978 246015673 /nfs/dbraw/zinc/01/56/73/246015673.db2.gz HYBHWOUYSBBXPQ-FQEVSTJZSA-N 2 2 369.469 0.939 20 0 FCADLP [NH3+][C@@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000419149374 246016625 /nfs/dbraw/zinc/01/66/25/246016625.db2.gz KGAZLFHWWYZFNB-MRXNPFEDSA-N 2 2 355.442 0.692 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]21 ZINC000419212195 246057661 /nfs/dbraw/zinc/05/76/61/246057661.db2.gz ZKPBKVHKEJFRLR-IXDOHACOSA-N 2 2 371.485 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C[C@H]1[NH3+] ZINC000419198068 246049378 /nfs/dbraw/zinc/04/93/78/246049378.db2.gz BNLZSAXHEBXVGW-GDBMZVCRSA-N 2 2 359.474 0.740 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270039 246083569 /nfs/dbraw/zinc/08/35/69/246083569.db2.gz CNAHVTFOMWKRTP-RHSMWYFYSA-N 2 2 355.442 0.662 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419231290 246070691 /nfs/dbraw/zinc/07/06/91/246070691.db2.gz JTLPGUCLQYVFCC-SNVBAGLBSA-N 2 2 360.430 0.321 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419231290 246070699 /nfs/dbraw/zinc/07/06/99/246070699.db2.gz JTLPGUCLQYVFCC-SNVBAGLBSA-N 2 2 360.430 0.321 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419412655 246146723 /nfs/dbraw/zinc/14/67/23/246146723.db2.gz CRVJOEJTNBITQJ-ZACQAIPSSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419395521 246133360 /nfs/dbraw/zinc/13/33/60/246133360.db2.gz USAQPFCVBBYFSS-GLQYFDAESA-N 2 2 368.865 0.291 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419395521 246133365 /nfs/dbraw/zinc/13/33/65/246133365.db2.gz USAQPFCVBBYFSS-GLQYFDAESA-N 2 2 368.865 0.291 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419638362 246226215 /nfs/dbraw/zinc/22/62/15/246226215.db2.gz GHHJONNNHAIOIL-MRXNPFEDSA-N 2 2 359.474 0.990 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000419721994 246269672 /nfs/dbraw/zinc/26/96/72/246269672.db2.gz CVKOTRBRTMPBAQ-JKSUJKDBSA-N 2 2 359.474 0.800 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000419838281 246313741 /nfs/dbraw/zinc/31/37/41/246313741.db2.gz FJZFHFQGFWWBMP-UHFFFAOYSA-N 2 2 374.485 0.598 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419842015 246317196 /nfs/dbraw/zinc/31/71/96/246317196.db2.gz LBDDJUJSUQQIHX-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419842015 246317201 /nfs/dbraw/zinc/31/72/01/246317201.db2.gz LBDDJUJSUQQIHX-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000419853340 246323365 /nfs/dbraw/zinc/32/33/65/246323365.db2.gz AOISZSZEHPKQGS-KBXCAEBGSA-N 2 2 374.485 0.754 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419857927 246328053 /nfs/dbraw/zinc/32/80/53/246328053.db2.gz HBEWRZDBSILJJL-SFHVURJKSA-N 2 2 374.485 0.583 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419907913 246364552 /nfs/dbraw/zinc/36/45/52/246364552.db2.gz CXZGZXGEALJEQT-IRXDYDNUSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419907913 246364559 /nfs/dbraw/zinc/36/45/59/246364559.db2.gz CXZGZXGEALJEQT-IRXDYDNUSA-N 2 2 358.486 0.835 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419917032 246368146 /nfs/dbraw/zinc/36/81/46/246368146.db2.gz RJZOPSGLNDKGGI-KRWDZBQOSA-N 2 2 358.486 0.755 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419922073 246371297 /nfs/dbraw/zinc/37/12/97/246371297.db2.gz OIZJQBGNDXODBI-WEBJUUICSA-N 2 2 356.470 0.570 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419886812 246351633 /nfs/dbraw/zinc/35/16/33/246351633.db2.gz IGUTUTJJBIZWCH-MOTZXUDYSA-N 2 2 356.470 0.712 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419944011 246381085 /nfs/dbraw/zinc/38/10/85/246381085.db2.gz QMHHCEKAOKSDML-CQSZACIVSA-N 2 2 350.438 0.571 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419944011 246381091 /nfs/dbraw/zinc/38/10/91/246381091.db2.gz QMHHCEKAOKSDML-CQSZACIVSA-N 2 2 350.438 0.571 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000419971815 246396598 /nfs/dbraw/zinc/39/65/98/246396598.db2.gz XKHQTRIHDYJACR-SJORKVTESA-N 2 2 366.506 0.333 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980499 246398031 /nfs/dbraw/zinc/39/80/31/246398031.db2.gz QZWADRYCMIYOGB-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980499 246398035 /nfs/dbraw/zinc/39/80/35/246398035.db2.gz QZWADRYCMIYOGB-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419996627 246406091 /nfs/dbraw/zinc/40/60/91/246406091.db2.gz OKRLANNUJZSVMU-SECBINFHSA-N 2 2 368.235 0.567 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000423381151 247015410 /nfs/dbraw/zinc/01/54/10/247015410.db2.gz HSUVYWFCCLYLSS-NXOAAHMSSA-N 2 2 373.501 0.787 20 0 FCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CCC1 ZINC000423386893 247017424 /nfs/dbraw/zinc/01/74/24/247017424.db2.gz LNMLSEOWGCCDBK-QGZVFWFLSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000423308462 247001152 /nfs/dbraw/zinc/00/11/52/247001152.db2.gz OJSQXWDAVVCHAL-HNNXBMFYSA-N 2 2 355.442 0.710 20 0 FCADLP COC[C@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000423319784 247005164 /nfs/dbraw/zinc/00/51/64/247005164.db2.gz CZXQMJYGLTWMRI-CLCXKQKWSA-N 2 2 362.474 0.938 20 0 FCADLP COC[C@@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000423319788 247005780 /nfs/dbraw/zinc/00/57/80/247005780.db2.gz CZXQMJYGLTWMRI-ZRGWGRIASA-N 2 2 362.474 0.938 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000423338347 247006548 /nfs/dbraw/zinc/00/65/48/247006548.db2.gz YWLKVHQUWWTVQH-HOTGVXAUSA-N 2 2 373.501 0.873 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423340912 247006693 /nfs/dbraw/zinc/00/66/93/247006693.db2.gz VZIOFPGJUSDNQC-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530551 247044746 /nfs/dbraw/zinc/04/47/46/247044746.db2.gz PPSHROWYMNRVNV-SJORKVTESA-N 3 2 367.538 0.199 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530551 247044750 /nfs/dbraw/zinc/04/47/50/247044750.db2.gz PPSHROWYMNRVNV-SJORKVTESA-N 3 2 367.538 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]1 ZINC000423582779 247061531 /nfs/dbraw/zinc/06/15/31/247061531.db2.gz YCQBYAAWCNPLSV-CQSZACIVSA-N 2 2 359.474 0.746 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000423592098 247066816 /nfs/dbraw/zinc/06/68/16/247066816.db2.gz KIPIYUGQYIKCIP-WBVHZDCISA-N 2 2 359.474 0.497 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423596095 247069348 /nfs/dbraw/zinc/06/93/48/247069348.db2.gz QXVYZKFIFBRLFX-HIFRSBDPSA-N 2 2 353.488 0.750 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000423478564 247036277 /nfs/dbraw/zinc/03/62/77/247036277.db2.gz NIVUETXWFSQDJR-KBPBESRZSA-N 2 2 350.488 0.761 20 0 FCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423596097 247069496 /nfs/dbraw/zinc/06/94/96/247069496.db2.gz QXVYZKFIFBRLFX-ZFWWWQNUSA-N 2 2 353.488 0.750 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423605647 247073201 /nfs/dbraw/zinc/07/32/01/247073201.db2.gz HIIWHUGTWCHYFZ-OXJNMPFZSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423605647 247073205 /nfs/dbraw/zinc/07/32/05/247073205.db2.gz HIIWHUGTWCHYFZ-OXJNMPFZSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423615060 247076393 /nfs/dbraw/zinc/07/63/93/247076393.db2.gz QXARHMXIHUDCIF-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423655090 247094468 /nfs/dbraw/zinc/09/44/68/247094468.db2.gz RPDNUEIOJPMUDW-JKSUJKDBSA-N 2 2 374.485 0.535 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423820587 247144583 /nfs/dbraw/zinc/14/45/83/247144583.db2.gz PVFWUISRVKCGHD-DZGCQCFKSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423820591 247144888 /nfs/dbraw/zinc/14/48/88/247144888.db2.gz PVFWUISRVKCGHD-ZFWWWQNUSA-N 2 2 350.488 0.822 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)C1(C)C ZINC000423900896 247148660 /nfs/dbraw/zinc/14/86/60/247148660.db2.gz SHGXHWVCVQOQDR-IYOUNJFTSA-N 2 2 355.479 0.615 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)C1(C)C ZINC000423900896 247148666 /nfs/dbraw/zinc/14/86/66/247148666.db2.gz SHGXHWVCVQOQDR-IYOUNJFTSA-N 2 2 355.479 0.615 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2CSCC[NH2+]2)cn1 ZINC000423915583 247151384 /nfs/dbraw/zinc/15/13/84/247151384.db2.gz MEQZNPYYXLJHRM-KKUMJFAQSA-N 2 2 355.483 0.544 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000423701003 247115569 /nfs/dbraw/zinc/11/55/69/247115569.db2.gz VUUBTEKUDUWWJI-HRCADAONSA-N 2 2 361.490 0.930 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423716575 247123148 /nfs/dbraw/zinc/12/31/48/247123148.db2.gz XREPDJCZZKJWOR-WBVHZDCISA-N 2 2 372.469 0.160 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423721293 247126252 /nfs/dbraw/zinc/12/62/52/247126252.db2.gz DYXBYQCRHALWAT-CVEARBPZSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[C@H]1C[NH3+] ZINC000423746159 247137107 /nfs/dbraw/zinc/13/71/07/247137107.db2.gz XRSGROUWRFXLHD-PMPSAXMXSA-N 2 2 361.490 0.787 20 0 FCADLP CO[C@@H](C[NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423744410 247137255 /nfs/dbraw/zinc/13/72/55/247137255.db2.gz LAULOTIPVFBFET-AWEZNQCLSA-N 2 2 351.838 0.606 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000424299651 247194785 /nfs/dbraw/zinc/19/47/85/247194785.db2.gz FHRLWXGNJJBEBV-DAXOMENPSA-N 2 2 350.438 0.979 20 0 FCADLP O=C(CC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1)N1CC[NH2+]CC1 ZINC000424337802 247197145 /nfs/dbraw/zinc/19/71/45/247197145.db2.gz SERFZGQWRUTNDM-OKILXGFUSA-N 2 2 353.369 0.611 20 0 FCADLP O=C(CC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1)N1CC[NH2+]CC1 ZINC000424337802 247197148 /nfs/dbraw/zinc/19/71/48/247197148.db2.gz SERFZGQWRUTNDM-OKILXGFUSA-N 2 2 353.369 0.611 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424019477 247161184 /nfs/dbraw/zinc/16/11/84/247161184.db2.gz LWLZOBDMFBASLM-SFHVURJKSA-N 3 2 360.502 0.817 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424019477 247161187 /nfs/dbraw/zinc/16/11/87/247161187.db2.gz LWLZOBDMFBASLM-SFHVURJKSA-N 3 2 360.502 0.817 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCCc1cn3c([nH+]1)CCCC3)CC[NH2+]CC2 ZINC000424525113 247251841 /nfs/dbraw/zinc/25/18/41/247251841.db2.gz QLHJRAYLMPCNFY-OAHLLOKOSA-N 2 2 373.501 0.869 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000425379330 247328339 /nfs/dbraw/zinc/32/83/39/247328339.db2.gz APDSPHCZBAAEMR-MRXNPFEDSA-N 2 2 364.490 0.028 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H](C)O1 ZINC000435549763 248000093 /nfs/dbraw/zinc/00/00/93/248000093.db2.gz LWLSYQZACXCXCF-OKILXGFUSA-N 2 2 352.483 0.785 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H](C)O1 ZINC000435549763 248000095 /nfs/dbraw/zinc/00/00/95/248000095.db2.gz LWLSYQZACXCXCF-OKILXGFUSA-N 2 2 352.483 0.785 20 0 FCADLP CCCS(=O)(=O)CC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562561 248001160 /nfs/dbraw/zinc/00/11/60/248001160.db2.gz HDIQYOLHDZOORB-CQSZACIVSA-N 2 2 368.503 0.716 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567612 248001780 /nfs/dbraw/zinc/00/17/80/248001780.db2.gz QYROSONPIXSXRM-HUUCEWRRSA-N 2 2 359.474 0.759 20 0 FCADLP C[C@@H](C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000435571028 248002253 /nfs/dbraw/zinc/00/22/53/248002253.db2.gz QMBGOKITLXWOJH-HOTGVXAUSA-N 2 2 361.490 0.612 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435628270 248005352 /nfs/dbraw/zinc/00/53/52/248005352.db2.gz ULCAYHSTTTWKLW-QZTJIDSGSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435628270 248005354 /nfs/dbraw/zinc/00/53/54/248005354.db2.gz ULCAYHSTTTWKLW-QZTJIDSGSA-N 2 2 370.538 0.976 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000436056825 248030501 /nfs/dbraw/zinc/03/05/01/248030501.db2.gz DOOFSLQNEZKZKT-INIZCTEOSA-N 2 2 368.428 0.901 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000436056825 248030505 /nfs/dbraw/zinc/03/05/05/248030505.db2.gz DOOFSLQNEZKZKT-INIZCTEOSA-N 2 2 368.428 0.901 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436067291 248031349 /nfs/dbraw/zinc/03/13/49/248031349.db2.gz SMYXTVUCINRIJK-CQSZACIVSA-N 2 2 350.467 0.295 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436067291 248031352 /nfs/dbraw/zinc/03/13/52/248031352.db2.gz SMYXTVUCINRIJK-CQSZACIVSA-N 2 2 350.467 0.295 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000438890445 248099655 /nfs/dbraw/zinc/09/96/55/248099655.db2.gz OBPYZLPYRSGVSC-CYBMUJFWSA-N 2 2 354.838 0.066 20 0 FCADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1nnnn1-c1ccccc1 ZINC000439586841 248134739 /nfs/dbraw/zinc/13/47/39/248134739.db2.gz JRUKMALRMDATLP-KRWDZBQOSA-N 2 2 373.505 0.703 20 0 FCADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1nnnn1-c1ccccc1 ZINC000439586844 248134766 /nfs/dbraw/zinc/13/47/66/248134766.db2.gz JRUKMALRMDATLP-QGZVFWFLSA-N 2 2 373.505 0.703 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000441401718 248251295 /nfs/dbraw/zinc/25/12/95/248251295.db2.gz YLULTNJBRJGOFL-UHFFFAOYSA-N 2 2 362.478 0.348 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000441401718 248251296 /nfs/dbraw/zinc/25/12/96/248251296.db2.gz YLULTNJBRJGOFL-UHFFFAOYSA-N 2 2 362.478 0.348 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442773409 248296912 /nfs/dbraw/zinc/29/69/12/248296912.db2.gz CPORBJMOHSIDTJ-KBPBESRZSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442773409 248296914 /nfs/dbraw/zinc/29/69/14/248296914.db2.gz CPORBJMOHSIDTJ-KBPBESRZSA-N 2 2 352.504 0.882 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000442778554 248297354 /nfs/dbraw/zinc/29/73/54/248297354.db2.gz GKPGWIBQERVXGU-YPMHNXCESA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000442778554 248297357 /nfs/dbraw/zinc/29/73/57/248297357.db2.gz GKPGWIBQERVXGU-YPMHNXCESA-N 2 2 354.476 0.558 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771850 248297386 /nfs/dbraw/zinc/29/73/86/248297386.db2.gz UNNRKVGBGSDXJG-FUHWJXTLSA-N 3 2 372.513 0.935 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771850 248297389 /nfs/dbraw/zinc/29/73/89/248297389.db2.gz UNNRKVGBGSDXJG-FUHWJXTLSA-N 3 2 372.513 0.935 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)n2C ZINC000452773008 249332017 /nfs/dbraw/zinc/33/20/17/249332017.db2.gz AMAILNQMJUXHKR-ZDUSSCGKSA-N 2 2 360.462 0.611 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1CCC[N@H+]1CCCO)n2C ZINC000452773008 249332020 /nfs/dbraw/zinc/33/20/20/249332020.db2.gz AMAILNQMJUXHKR-ZDUSSCGKSA-N 2 2 360.462 0.611 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000453721969 249360414 /nfs/dbraw/zinc/36/04/14/249360414.db2.gz SKVCDYZDMLUQBX-KBXCAEBGSA-N 2 2 374.485 0.699 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000453805828 249369991 /nfs/dbraw/zinc/36/99/91/249369991.db2.gz LVJLOIFBPMXCRO-QGZVFWFLSA-N 2 2 371.441 0.774 20 0 FCADLP NS(=O)(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271345561 211384394 /nfs/dbraw/zinc/38/43/94/211384394.db2.gz KFKYISKEWVODJX-KRWDZBQOSA-N 2 2 352.504 0.167 20 0 FCADLP NS(=O)(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271345561 211384399 /nfs/dbraw/zinc/38/43/99/211384399.db2.gz KFKYISKEWVODJX-KRWDZBQOSA-N 2 2 352.504 0.167 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000459929540 249794603 /nfs/dbraw/zinc/79/46/03/249794603.db2.gz ZNWOHZGUCKOHQI-KRWDZBQOSA-N 2 2 366.506 0.111 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000270944223 211305233 /nfs/dbraw/zinc/30/52/33/211305233.db2.gz RXOMHEARKLIKBM-QGZVFWFLSA-N 2 2 371.485 0.817 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H](N2CCCC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000270944223 211305236 /nfs/dbraw/zinc/30/52/36/211305236.db2.gz RXOMHEARKLIKBM-QGZVFWFLSA-N 2 2 371.485 0.817 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000270708019 211251418 /nfs/dbraw/zinc/25/14/18/211251418.db2.gz KLYOMTIZCBHWAC-MRXNPFEDSA-N 2 2 364.494 0.067 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000270708019 211251420 /nfs/dbraw/zinc/25/14/20/211251420.db2.gz KLYOMTIZCBHWAC-MRXNPFEDSA-N 2 2 364.494 0.067 20 0 FCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCn2cc[nH+]c2C)C[C@H]1C(=O)N(C)C ZINC000270642742 211239008 /nfs/dbraw/zinc/23/90/08/211239008.db2.gz JVPGZGSRMYXDEA-SFHVURJKSA-N 3 2 373.505 0.471 20 0 FCADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCn2cc[nH+]c2C)C[C@H]1C(=O)N(C)C ZINC000270642742 211239013 /nfs/dbraw/zinc/23/90/13/211239013.db2.gz JVPGZGSRMYXDEA-SFHVURJKSA-N 3 2 373.505 0.471 20 0 FCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1C(=O)N(C)C ZINC000270642740 211238895 /nfs/dbraw/zinc/23/88/95/211238895.db2.gz JVPGZGSRMYXDEA-GOSISDBHSA-N 3 2 373.505 0.471 20 0 FCADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCn2cc[nH+]c2C)C[C@@H]1C(=O)N(C)C ZINC000270642740 211238900 /nfs/dbraw/zinc/23/89/00/211238900.db2.gz JVPGZGSRMYXDEA-GOSISDBHSA-N 3 2 373.505 0.471 20 0 FCADLP CO[C@H]1C[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)N(C(C)=O)C1 ZINC000469740482 250001227 /nfs/dbraw/zinc/00/12/27/250001227.db2.gz YUVDSJGJXVRYTG-JCGIZDLHSA-N 2 2 366.506 0.249 20 0 FCADLP CO[C@H]1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)N(C(C)=O)C1 ZINC000469740482 250001233 /nfs/dbraw/zinc/00/12/33/250001233.db2.gz YUVDSJGJXVRYTG-JCGIZDLHSA-N 2 2 366.506 0.249 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCOCC2 ZINC000469783021 250003703 /nfs/dbraw/zinc/00/37/03/250003703.db2.gz IQTXKOWGRWPVLY-RBUKOAKNSA-N 2 2 369.550 0.940 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470360986 250038037 /nfs/dbraw/zinc/03/80/37/250038037.db2.gz AJCJWKPUHCUECC-OAHLLOKOSA-N 2 2 372.469 0.295 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000470964223 250082541 /nfs/dbraw/zinc/08/25/41/250082541.db2.gz VUQDUICXLNKERD-QAPCUYQASA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000470964223 250082545 /nfs/dbraw/zinc/08/25/45/250082545.db2.gz VUQDUICXLNKERD-QAPCUYQASA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470964223 250082550 /nfs/dbraw/zinc/08/25/50/250082550.db2.gz VUQDUICXLNKERD-QAPCUYQASA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470964223 250082556 /nfs/dbraw/zinc/08/25/56/250082556.db2.gz VUQDUICXLNKERD-QAPCUYQASA-N 2 2 350.507 0.729 20 0 FCADLP C[NH+](C)CCOCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000471637459 250112401 /nfs/dbraw/zinc/11/24/01/250112401.db2.gz WKPVCCRVUWBBIU-UHFFFAOYSA-N 2 2 355.508 0.939 20 0 FCADLP C[NH+](C)CCOCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000471637459 250112406 /nfs/dbraw/zinc/11/24/06/250112406.db2.gz WKPVCCRVUWBBIU-UHFFFAOYSA-N 2 2 355.508 0.939 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000472985245 250191281 /nfs/dbraw/zinc/19/12/81/250191281.db2.gz FFZLCXNSYCJECU-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000472985245 250191285 /nfs/dbraw/zinc/19/12/85/250191285.db2.gz FFZLCXNSYCJECU-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000480775762 250283175 /nfs/dbraw/zinc/28/31/75/250283175.db2.gz QCABMVSAXRDJDH-UHFFFAOYSA-N 2 2 355.508 0.602 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000480775762 250283177 /nfs/dbraw/zinc/28/31/77/250283177.db2.gz QCABMVSAXRDJDH-UHFFFAOYSA-N 2 2 355.508 0.602 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000480889836 250292976 /nfs/dbraw/zinc/29/29/76/250292976.db2.gz ADKXQSRCHQTVBF-QXSJWSMHSA-N 2 2 361.490 0.797 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000480889836 250292980 /nfs/dbraw/zinc/29/29/80/250292980.db2.gz ADKXQSRCHQTVBF-QXSJWSMHSA-N 2 2 361.490 0.797 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000481879890 250369629 /nfs/dbraw/zinc/36/96/29/250369629.db2.gz RGEUHURDGOQTJG-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481879890 250369630 /nfs/dbraw/zinc/36/96/30/250369630.db2.gz RGEUHURDGOQTJG-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262083712 533018093 /nfs/dbraw/zinc/01/80/93/533018093.db2.gz FPLUINLBSHNWIF-KRWDZBQOSA-N 2 2 362.430 0.879 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCOCC3)CC2)CC1 ZINC000066568545 208018891 /nfs/dbraw/zinc/01/88/91/208018891.db2.gz JHZOXVPINBEXOA-UHFFFAOYSA-N 2 2 366.506 0.111 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1=O ZINC000074197630 208052500 /nfs/dbraw/zinc/05/25/00/208052500.db2.gz RBCPEJYGVCCITA-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000072845425 208042860 /nfs/dbraw/zinc/04/28/60/208042860.db2.gz FWJGMBHISOBOJJ-SFHVURJKSA-N 2 2 374.485 0.926 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000072845425 208042867 /nfs/dbraw/zinc/04/28/67/208042867.db2.gz FWJGMBHISOBOJJ-SFHVURJKSA-N 2 2 374.485 0.926 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000076978131 208070771 /nfs/dbraw/zinc/07/07/71/208070771.db2.gz KNKJJRPIYLQNLJ-BBWFWOEESA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000077344113 208072125 /nfs/dbraw/zinc/07/21/25/208072125.db2.gz GMSUHNLFSTVLEY-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H](CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000078647891 208081516 /nfs/dbraw/zinc/08/15/16/208081516.db2.gz UBBBTMCPTRJGIK-QUCCMNQESA-N 2 2 373.545 0.727 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1=O ZINC000091211987 208137057 /nfs/dbraw/zinc/13/70/57/208137057.db2.gz XDSLFTOIQJRDNQ-INIZCTEOSA-N 2 2 355.442 0.899 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000083176294 208105849 /nfs/dbraw/zinc/10/58/49/208105849.db2.gz BHQILFLLUNOWMJ-SFHVURJKSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000086991095 208113475 /nfs/dbraw/zinc/11/34/75/208113475.db2.gz YLGRIAXIMHCDQN-MRXNPFEDSA-N 2 2 362.478 0.611 20 0 FCADLP CC[N@H+](CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1CC1 ZINC000101989951 208167568 /nfs/dbraw/zinc/16/75/68/208167568.db2.gz AEFIPAYNQYEBBE-KRWDZBQOSA-N 2 2 356.536 0.978 20 0 FCADLP CC[N@@H+](CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1CC1 ZINC000101989951 208167577 /nfs/dbraw/zinc/16/75/77/208167577.db2.gz AEFIPAYNQYEBBE-KRWDZBQOSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[N@H+](C)C1CC1 ZINC000105177894 208192006 /nfs/dbraw/zinc/19/20/06/208192006.db2.gz IPOCQTKUDOJAGU-RHSMWYFYSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[N@@H+](C)C1CC1 ZINC000105177894 208192012 /nfs/dbraw/zinc/19/20/12/208192012.db2.gz IPOCQTKUDOJAGU-RHSMWYFYSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000105124549 208192477 /nfs/dbraw/zinc/19/24/77/208192477.db2.gz CTVWPEOWOPNMLP-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000105124549 208192482 /nfs/dbraw/zinc/19/24/82/208192482.db2.gz CTVWPEOWOPNMLP-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP CN(CCN1CCOCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000105211128 208192606 /nfs/dbraw/zinc/19/26/06/208192606.db2.gz KKZNONOGYKZQDW-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000105211128 208192613 /nfs/dbraw/zinc/19/26/13/208192613.db2.gz KKZNONOGYKZQDW-UHFFFAOYSA-N 3 2 367.538 0.519 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000105162895 208194142 /nfs/dbraw/zinc/19/41/42/208194142.db2.gz BTBPMGRXFYWDBP-UHFFFAOYSA-N 2 2 359.478 0.088 20 0 FCADLP C[C@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[N@H+](C)C1CC1 ZINC000105177902 208195252 /nfs/dbraw/zinc/19/52/52/208195252.db2.gz IPOCQTKUDOJAGU-PBHICJAKSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[N@@H+](C)C1CC1 ZINC000105177902 208195258 /nfs/dbraw/zinc/19/52/58/208195258.db2.gz IPOCQTKUDOJAGU-PBHICJAKSA-N 2 2 356.536 0.976 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)CC1 ZINC000106478600 208226256 /nfs/dbraw/zinc/22/62/56/208226256.db2.gz CCERXWXOODJGHM-ROUUACIJSA-N 2 2 374.533 0.902 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)CC1 ZINC000106478597 208227054 /nfs/dbraw/zinc/22/70/54/208227054.db2.gz CCERXWXOODJGHM-ZWKOTPCHSA-N 2 2 374.533 0.902 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796598 208262050 /nfs/dbraw/zinc/26/20/50/208262050.db2.gz WKUVWOFMOVAPHO-DZGCQCFKSA-N 2 2 354.476 0.554 20 0 FCADLP Cn1cc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000116922318 208337158 /nfs/dbraw/zinc/33/71/58/208337158.db2.gz YUNKQKBADSQJAP-UHFFFAOYSA-N 2 2 363.487 0.646 20 0 FCADLP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000118999003 208353626 /nfs/dbraw/zinc/35/36/26/208353626.db2.gz VHJUFRWPVBZKQY-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000118999003 208353633 /nfs/dbraw/zinc/35/36/33/208353633.db2.gz VHJUFRWPVBZKQY-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843490 208352403 /nfs/dbraw/zinc/35/24/03/208352403.db2.gz CLEDUTYSPVCYRY-CYBMUJFWSA-N 2 2 351.451 0.809 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843490 208352406 /nfs/dbraw/zinc/35/24/06/208352406.db2.gz CLEDUTYSPVCYRY-CYBMUJFWSA-N 2 2 351.451 0.809 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843490 208352409 /nfs/dbraw/zinc/35/24/09/208352409.db2.gz CLEDUTYSPVCYRY-CYBMUJFWSA-N 2 2 351.451 0.809 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843490 208352412 /nfs/dbraw/zinc/35/24/12/208352412.db2.gz CLEDUTYSPVCYRY-CYBMUJFWSA-N 2 2 351.451 0.809 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000120748367 208390790 /nfs/dbraw/zinc/39/07/90/208390790.db2.gz NMACMIUGWVEWNN-UHFFFAOYSA-N 2 2 352.479 0.630 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000120748367 208390796 /nfs/dbraw/zinc/39/07/96/208390796.db2.gz NMACMIUGWVEWNN-UHFFFAOYSA-N 2 2 352.479 0.630 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)c1 ZINC000409448958 533067936 /nfs/dbraw/zinc/06/79/36/533067936.db2.gz TYJLNHCGOUPVBE-UHFFFAOYSA-N 2 2 355.460 0.152 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000131355181 208542775 /nfs/dbraw/zinc/54/27/75/208542775.db2.gz FIVPMRGKUGQFKG-MOPGFXCFSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000131355181 208542779 /nfs/dbraw/zinc/54/27/79/208542779.db2.gz FIVPMRGKUGQFKG-MOPGFXCFSA-N 2 2 361.486 0.803 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127891 210288593 /nfs/dbraw/zinc/28/85/93/210288593.db2.gz CUILLZLIBZNRLT-KBPBESRZSA-N 2 2 362.478 0.241 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127891 210288597 /nfs/dbraw/zinc/28/85/97/210288597.db2.gz CUILLZLIBZNRLT-KBPBESRZSA-N 2 2 362.478 0.241 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000133720773 208679685 /nfs/dbraw/zinc/67/96/85/208679685.db2.gz JXMJUFCAHRPCHH-QGZVFWFLSA-N 2 2 373.501 0.921 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)CN1CC[NH+]1CCOCC1 ZINC000180263066 209092802 /nfs/dbraw/zinc/09/28/02/209092802.db2.gz XWFQKRWAPUKART-SFHVURJKSA-N 2 2 369.469 0.895 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)cc2C1 ZINC000177119349 209016543 /nfs/dbraw/zinc/01/65/43/209016543.db2.gz GJIWJJKCCVXIAH-UHFFFAOYSA-N 2 2 372.469 0.894 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)cc2C1 ZINC000177119349 209016546 /nfs/dbraw/zinc/01/65/46/209016546.db2.gz GJIWJJKCCVXIAH-UHFFFAOYSA-N 2 2 372.469 0.894 20 0 FCADLP Cc1ccc2c(c1)C(=O)N(CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C2=O ZINC000177120497 209016801 /nfs/dbraw/zinc/01/68/01/209016801.db2.gz CBNRTBBACFGUGZ-UHFFFAOYSA-N 2 2 372.469 0.733 20 0 FCADLP CC(=O)Nc1ccccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178666944 209056044 /nfs/dbraw/zinc/05/60/44/209056044.db2.gz GAWMUDNEOUOIDM-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000178705236 209058230 /nfs/dbraw/zinc/05/82/30/209058230.db2.gz JPCUMTKCQCFBCP-UHFFFAOYSA-N 2 2 351.426 0.442 20 0 FCADLP [NH3+]Cc1nc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000178755344 209060712 /nfs/dbraw/zinc/06/07/12/209060712.db2.gz VVBXXOKNGNUXCP-UHFFFAOYSA-N 2 2 373.482 0.676 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000178855402 209064188 /nfs/dbraw/zinc/06/41/88/209064188.db2.gz LYGFDMDXNABOOR-LPHOPBHVSA-N 2 2 370.497 0.856 20 0 FCADLP COC(=O)[C@]1(C)CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412074510 533586871 /nfs/dbraw/zinc/58/68/71/533586871.db2.gz RCFAXHIMIOOBRC-OHFIKTQHSA-N 2 2 370.490 0.898 20 0 FCADLP COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412074510 533586873 /nfs/dbraw/zinc/58/68/73/533586873.db2.gz RCFAXHIMIOOBRC-OHFIKTQHSA-N 2 2 370.490 0.898 20 0 FCADLP COC(=O)[C@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412074510 533586874 /nfs/dbraw/zinc/58/68/74/533586874.db2.gz RCFAXHIMIOOBRC-OHFIKTQHSA-N 2 2 370.490 0.898 20 0 FCADLP COC(=O)[C@]1(C)CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412074510 533586875 /nfs/dbraw/zinc/58/68/75/533586875.db2.gz RCFAXHIMIOOBRC-OHFIKTQHSA-N 2 2 370.490 0.898 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000179405867 209077133 /nfs/dbraw/zinc/07/71/33/209077133.db2.gz GWOIRXQVZGMCNY-QGZVFWFLSA-N 2 2 361.490 0.119 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C ZINC000179693050 209085342 /nfs/dbraw/zinc/08/53/42/209085342.db2.gz JPPNEDUBXBMXNY-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C ZINC000179693050 209085347 /nfs/dbraw/zinc/08/53/47/209085347.db2.gz JPPNEDUBXBMXNY-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000195306800 229275163 /nfs/dbraw/zinc/27/51/63/229275163.db2.gz SJXAIFUUHROOCH-CALCHBBNSA-N 2 2 370.538 0.254 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000195306800 229275168 /nfs/dbraw/zinc/27/51/68/229275168.db2.gz SJXAIFUUHROOCH-CALCHBBNSA-N 2 2 370.538 0.254 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000409448740 230017255 /nfs/dbraw/zinc/01/72/55/230017255.db2.gz HJQFJULPCDAUEL-IAGOWNOFSA-N 2 2 360.568 0.758 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000410433556 230077228 /nfs/dbraw/zinc/07/72/28/230077228.db2.gz LYJXOGXGSMEICZ-QGZVFWFLSA-N 2 2 373.501 0.841 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410478222 230095615 /nfs/dbraw/zinc/09/56/15/230095615.db2.gz YQDYBWYFXKORQR-IAGOWNOFSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000410478222 230095618 /nfs/dbraw/zinc/09/56/18/230095618.db2.gz YQDYBWYFXKORQR-IAGOWNOFSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000410541170 230129547 /nfs/dbraw/zinc/12/95/47/230129547.db2.gz HAGRUQVNQFPQDT-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000410541170 230129551 /nfs/dbraw/zinc/12/95/51/230129551.db2.gz HAGRUQVNQFPQDT-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410541170 230129553 /nfs/dbraw/zinc/12/95/53/230129553.db2.gz HAGRUQVNQFPQDT-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410541170 230129556 /nfs/dbraw/zinc/12/95/56/230129556.db2.gz HAGRUQVNQFPQDT-NZSAHSFTSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@H]1OCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000410580009 230141217 /nfs/dbraw/zinc/14/12/17/230141217.db2.gz HGFAQMPRRGIVBO-HUUCEWRRSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@H]1OCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1C ZINC000410580009 230141222 /nfs/dbraw/zinc/14/12/22/230141222.db2.gz HGFAQMPRRGIVBO-HUUCEWRRSA-N 2 2 354.495 0.107 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410731862 230221824 /nfs/dbraw/zinc/22/18/24/230221824.db2.gz IHKRAVNXPDHKDC-UZLBHIALSA-N 2 2 373.501 0.755 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410731862 230221831 /nfs/dbraw/zinc/22/18/31/230221831.db2.gz IHKRAVNXPDHKDC-UZLBHIALSA-N 2 2 373.501 0.755 20 0 FCADLP O=C(C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410795701 230253047 /nfs/dbraw/zinc/25/30/47/230253047.db2.gz XSKZUZIVEJXSQK-DOTOQJQBSA-N 2 2 356.426 0.534 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410889453 230291128 /nfs/dbraw/zinc/29/11/28/230291128.db2.gz NLMJTMUTISRTOV-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000410918089 230305520 /nfs/dbraw/zinc/30/55/20/230305520.db2.gz XQDWYBJKBKDWPH-KRWDZBQOSA-N 2 2 360.458 0.862 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000410972631 230332480 /nfs/dbraw/zinc/33/24/80/230332480.db2.gz HQGUDAALHVVHIN-BBWFWOEESA-N 2 2 373.501 0.754 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000410972631 230332483 /nfs/dbraw/zinc/33/24/83/230332483.db2.gz HQGUDAALHVVHIN-BBWFWOEESA-N 2 2 373.501 0.754 20 0 FCADLP NS(=O)(=O)C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000932946921 674230201 /nfs/dbraw/zinc/23/02/01/674230201.db2.gz KKVMMPHMQFTEMY-QGZVFWFLSA-N 2 2 366.531 0.809 20 0 FCADLP NS(=O)(=O)C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000932946921 674230202 /nfs/dbraw/zinc/23/02/02/674230202.db2.gz KKVMMPHMQFTEMY-QGZVFWFLSA-N 2 2 366.531 0.809 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cn1 ZINC000608328053 484105393 /nfs/dbraw/zinc/10/53/93/484105393.db2.gz PFUKKHFTHGKAGL-UHFFFAOYSA-N 2 2 360.466 0.528 20 0 FCADLP CC[NH+]1CCN(CCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000530815968 484352261 /nfs/dbraw/zinc/35/22/61/484352261.db2.gz KASXQAARUJXBDX-UHFFFAOYSA-N 2 2 364.494 0.181 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000363763585 488882764 /nfs/dbraw/zinc/88/27/64/488882764.db2.gz ZPVTWISFWZNETB-XIRDDKMYSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000363763585 488882767 /nfs/dbraw/zinc/88/27/67/488882767.db2.gz ZPVTWISFWZNETB-XIRDDKMYSA-N 2 2 363.506 0.608 20 0 FCADLP O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000278720571 488891888 /nfs/dbraw/zinc/89/18/88/488891888.db2.gz KQTQWTRURAMKCI-PMACEKPBSA-N 2 2 369.465 0.521 20 0 FCADLP CC(C)(C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000279166629 488921643 /nfs/dbraw/zinc/92/16/43/488921643.db2.gz CHJRALBIXISJPJ-GOSISDBHSA-N 2 2 361.486 0.633 20 0 FCADLP CC(C)(C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000279166629 488921646 /nfs/dbraw/zinc/92/16/46/488921646.db2.gz CHJRALBIXISJPJ-GOSISDBHSA-N 2 2 361.486 0.633 20 0 FCADLP Cc1ccn(C[C@@](C)(O)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(=O)c1 ZINC000279310070 488931474 /nfs/dbraw/zinc/93/14/74/488931474.db2.gz OGRSZKJFHALFTN-LJQANCHMSA-N 2 2 364.490 0.050 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000364274718 488943047 /nfs/dbraw/zinc/94/30/47/488943047.db2.gz UVRKOEMVZMXCNP-MSOLQXFVSA-N 2 2 351.491 0.668 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000364274718 488943048 /nfs/dbraw/zinc/94/30/48/488943048.db2.gz UVRKOEMVZMXCNP-MSOLQXFVSA-N 2 2 351.491 0.668 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000288143122 488949502 /nfs/dbraw/zinc/94/95/02/488949502.db2.gz LPVHBWYGQKLHCT-HNNXBMFYSA-N 2 2 361.490 0.439 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCCn2cc[nH+]c2)CCCO1 ZINC000288207121 488956466 /nfs/dbraw/zinc/95/64/66/488956466.db2.gz UDFXPQFGQFILSX-MRXNPFEDSA-N 2 2 365.478 0.349 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000364414509 488957399 /nfs/dbraw/zinc/95/73/99/488957399.db2.gz CYOHMSBYNMTLEO-SFHVURJKSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000364414509 488957402 /nfs/dbraw/zinc/95/74/02/488957402.db2.gz CYOHMSBYNMTLEO-SFHVURJKSA-N 2 2 351.491 0.811 20 0 FCADLP CC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000025545785 487668119 /nfs/dbraw/zinc/66/81/19/487668119.db2.gz NBHWWYFZJDPCQR-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP Cc1cc(CN2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)no1 ZINC000042505176 487866201 /nfs/dbraw/zinc/86/62/01/487866201.db2.gz HSYFRQXWSBBMPI-UHFFFAOYSA-N 2 2 361.490 0.844 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)CC1 ZINC000050799290 488114711 /nfs/dbraw/zinc/11/47/11/488114711.db2.gz BFGROSSNQDJHOR-INIZCTEOSA-N 2 2 372.535 0.085 20 0 FCADLP COCC(=O)N1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051401384 488132244 /nfs/dbraw/zinc/13/22/44/488132244.db2.gz QZTZBYHRRZBNGE-MRXNPFEDSA-N 2 2 360.458 0.805 20 0 FCADLP Cn1ncc2c1nc(NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)[nH]c2=O ZINC000329126223 488971721 /nfs/dbraw/zinc/97/17/21/488971721.db2.gz UDWBWPJUDVDZOV-UHFFFAOYSA-N 2 2 359.478 1.431 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329126137 488971814 /nfs/dbraw/zinc/97/18/14/488971814.db2.gz UBWBSJDLDMVPQA-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329126137 488971819 /nfs/dbraw/zinc/97/18/19/488971819.db2.gz UBWBSJDLDMVPQA-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000056525355 488257592 /nfs/dbraw/zinc/25/75/92/488257592.db2.gz KYFJWXJVFAAFKW-INIZCTEOSA-N 2 2 359.536 0.686 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000057423554 488271283 /nfs/dbraw/zinc/27/12/83/488271283.db2.gz SPWRTDIQTPPTGP-UHFFFAOYSA-N 2 2 358.450 0.185 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000066124650 488325455 /nfs/dbraw/zinc/32/54/55/488325455.db2.gz JRCQTMCCCHIODV-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000066124650 488325456 /nfs/dbraw/zinc/32/54/56/488325456.db2.gz JRCQTMCCCHIODV-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066982378 488342265 /nfs/dbraw/zinc/34/22/65/488342265.db2.gz ZQKPCCUFHURWTP-OAHLLOKOSA-N 2 2 357.462 0.918 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCC2(CC1)OCCO2 ZINC000069802474 488374020 /nfs/dbraw/zinc/37/40/20/488374020.db2.gz UPJLQEIYXNNIQZ-KRWDZBQOSA-N 2 2 367.490 0.396 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCC2(CC1)OCCO2 ZINC000069802474 488374021 /nfs/dbraw/zinc/37/40/21/488374021.db2.gz UPJLQEIYXNNIQZ-KRWDZBQOSA-N 2 2 367.490 0.396 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000072872561 488383288 /nfs/dbraw/zinc/38/32/88/488383288.db2.gz XUTXWJUPFSCHCJ-ZIAGYGMSSA-N 2 2 357.462 0.600 20 0 FCADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000073483850 488384720 /nfs/dbraw/zinc/38/47/20/488384720.db2.gz LJLYQCSDJPOWNK-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073589516 488384958 /nfs/dbraw/zinc/38/49/58/488384958.db2.gz FJDFKVRDFXDZKI-ROUUACIJSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)n1C ZINC000073618744 488385527 /nfs/dbraw/zinc/38/55/27/488385527.db2.gz QDVOAOUHKXDCSH-UHFFFAOYSA-N 2 2 371.489 0.710 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000073660393 488385700 /nfs/dbraw/zinc/38/57/00/488385700.db2.gz VKRIJURAWIVKSC-QGZVFWFLSA-N 2 2 367.538 0.914 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000073660393 488385701 /nfs/dbraw/zinc/38/57/01/488385701.db2.gz VKRIJURAWIVKSC-QGZVFWFLSA-N 2 2 367.538 0.914 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccsc1 ZINC000073658634 488385799 /nfs/dbraw/zinc/38/57/99/488385799.db2.gz JPNFOXQPCWGICH-NVXWUHKLSA-N 2 2 370.519 0.733 20 0 FCADLP C[C@](O)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000073719551 488386065 /nfs/dbraw/zinc/38/60/65/488386065.db2.gz BZUWOHFYPJNSHS-SFHVURJKSA-N 2 2 365.478 0.144 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000074110584 488387523 /nfs/dbraw/zinc/38/75/23/488387523.db2.gz GFGMIMAFHIXFMA-ULQDDVLXSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335859 491194849 /nfs/dbraw/zinc/19/48/49/491194849.db2.gz QUHCEVUWGOOEMR-JONQDZQNSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335859 491194851 /nfs/dbraw/zinc/19/48/51/491194851.db2.gz QUHCEVUWGOOEMR-JONQDZQNSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335859 491194852 /nfs/dbraw/zinc/19/48/52/491194852.db2.gz QUHCEVUWGOOEMR-JONQDZQNSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335859 491194853 /nfs/dbraw/zinc/19/48/53/491194853.db2.gz QUHCEVUWGOOEMR-JONQDZQNSA-N 2 2 354.495 0.153 20 0 FCADLP C[NH+](C)CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000268166914 488392418 /nfs/dbraw/zinc/39/24/18/488392418.db2.gz JIGVYPSPROXXNK-CQSZACIVSA-N 2 2 350.444 0.525 20 0 FCADLP C[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000185430661 488400664 /nfs/dbraw/zinc/40/06/64/488400664.db2.gz WVCSZLTZPOSXIN-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP C[C@H](CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000185430661 488400666 /nfs/dbraw/zinc/40/06/66/488400666.db2.gz WVCSZLTZPOSXIN-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000186128743 488404747 /nfs/dbraw/zinc/40/47/47/488404747.db2.gz ZZVXOHKOCRGVEG-IRXDYDNUSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000189365159 488414075 /nfs/dbraw/zinc/41/40/75/488414075.db2.gz IDYJPDZUXXPWOY-ZDUSSCGKSA-N 2 2 351.499 0.687 20 0 FCADLP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](CO)O1 ZINC000189183258 488414235 /nfs/dbraw/zinc/41/42/35/488414235.db2.gz UOSQFRMKTFUYEN-WMLDXEAASA-N 2 2 354.495 0.336 20 0 FCADLP COCC[NH+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000193346615 488426732 /nfs/dbraw/zinc/42/67/32/488426732.db2.gz PGIVAZTXAPAAND-KRWDZBQOSA-N 2 2 361.490 0.383 20 0 FCADLP CC(C)[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000079100720 488427197 /nfs/dbraw/zinc/42/71/97/488427197.db2.gz CPPDEOXUWABPFF-SFHVURJKSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCOCC1 ZINC000079100720 488427200 /nfs/dbraw/zinc/42/72/00/488427200.db2.gz CPPDEOXUWABPFF-SFHVURJKSA-N 2 2 369.554 0.668 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000268588594 488434166 /nfs/dbraw/zinc/43/41/66/488434166.db2.gz ZKKCFBSDJPVHNK-UHFFFAOYSA-N 2 2 358.446 0.963 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569851225 491199033 /nfs/dbraw/zinc/19/90/33/491199033.db2.gz OQBQOVIWBQZTCL-RHSMWYFYSA-N 2 2 350.488 0.770 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000083700684 488447826 /nfs/dbraw/zinc/44/78/26/488447826.db2.gz JSPMFUJUQQHEDG-ROUUACIJSA-N 2 2 370.538 0.831 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000083695925 488447898 /nfs/dbraw/zinc/44/78/98/488447898.db2.gz MTALGDYWOBMPBG-GOSISDBHSA-N 2 2 364.490 0.583 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000083733710 488448593 /nfs/dbraw/zinc/44/85/93/488448593.db2.gz QLPSNNSPUVDBHZ-NVXWUHKLSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000083733710 488448594 /nfs/dbraw/zinc/44/85/94/488448594.db2.gz QLPSNNSPUVDBHZ-NVXWUHKLSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000083733712 488448646 /nfs/dbraw/zinc/44/86/46/488448646.db2.gz QLPSNNSPUVDBHZ-DOTOQJQBSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000083733712 488448648 /nfs/dbraw/zinc/44/86/48/488448648.db2.gz QLPSNNSPUVDBHZ-DOTOQJQBSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1C ZINC000083737658 488449242 /nfs/dbraw/zinc/44/92/42/488449242.db2.gz LZUQSJPPABSMGC-CQSZACIVSA-N 2 2 350.467 0.350 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237151504 488454299 /nfs/dbraw/zinc/45/42/99/488454299.db2.gz UDGMSNURNPTHPA-INIZCTEOSA-N 2 2 360.458 0.525 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237492705 488455499 /nfs/dbraw/zinc/45/54/99/488455499.db2.gz FYVALEXYBOGDOL-WMZOPIPTSA-N 2 2 374.485 0.120 20 0 FCADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237418390 488455739 /nfs/dbraw/zinc/45/57/39/488455739.db2.gz YSLURFUFXIQOGY-CQSZACIVSA-N 2 2 364.877 0.977 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268899901 488455772 /nfs/dbraw/zinc/45/57/72/488455772.db2.gz SBLAPWRXWJMTCP-SFHVURJKSA-N 2 2 363.481 0.899 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268899901 488455777 /nfs/dbraw/zinc/45/57/77/488455777.db2.gz SBLAPWRXWJMTCP-SFHVURJKSA-N 2 2 363.481 0.899 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237673305 488456575 /nfs/dbraw/zinc/45/65/75/488456575.db2.gz RKPUQNFTQWGETM-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237673305 488456577 /nfs/dbraw/zinc/45/65/77/488456577.db2.gz RKPUQNFTQWGETM-UHFFFAOYSA-N 2 2 364.877 0.806 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000238104833 488458648 /nfs/dbraw/zinc/45/86/48/488458648.db2.gz BGVACWVCOMTZDF-UHFFFAOYSA-N 2 2 354.520 0.286 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000089926674 488459046 /nfs/dbraw/zinc/45/90/46/488459046.db2.gz RZWRSTJBJYYEFJ-CQSZACIVSA-N 2 2 363.462 0.342 20 0 FCADLP CCC[C@@H]1C(=O)NCC[NH+]1CCOCC[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000245757191 488465827 /nfs/dbraw/zinc/46/58/27/488465827.db2.gz PEGTUXZUXLFYJL-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[C@@H]1C(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)[C@H]1CCC ZINC000245757191 488465830 /nfs/dbraw/zinc/46/58/30/488465830.db2.gz PEGTUXZUXLFYJL-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000245941768 488467309 /nfs/dbraw/zinc/46/73/09/488467309.db2.gz RBHPQTREKGGGAW-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000245941768 488467311 /nfs/dbraw/zinc/46/73/11/488467311.db2.gz RBHPQTREKGGGAW-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246126436 488469917 /nfs/dbraw/zinc/46/99/17/488469917.db2.gz LXYWBNLZOYGEPJ-KZNAEPCWSA-N 2 2 370.538 0.689 20 0 FCADLP Cc1ccc(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000091811773 488469939 /nfs/dbraw/zinc/46/99/39/488469939.db2.gz UHGMHZMJPDXBIF-UHFFFAOYSA-N 2 2 366.531 0.913 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000269301736 488488993 /nfs/dbraw/zinc/48/89/93/488488993.db2.gz QSZCDAMFVDRRHA-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP CN(C)c1ncc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000269385092 488497798 /nfs/dbraw/zinc/49/77/98/488497798.db2.gz ZJTVWPRASSWXMW-ZDUSSCGKSA-N 2 2 353.492 0.232 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2c1 ZINC000269383017 488497836 /nfs/dbraw/zinc/49/78/36/488497836.db2.gz YNOAYEMFCJGGIA-CVEARBPZSA-N 2 2 364.471 0.230 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000103509949 488502475 /nfs/dbraw/zinc/50/24/75/488502475.db2.gz AMLMXXIKYOOUGH-UHFFFAOYSA-N 2 2 360.506 0.941 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000248868402 488503519 /nfs/dbraw/zinc/50/35/19/488503519.db2.gz BGFCBJVDFLAIRV-MSOLQXFVSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000248868402 488503520 /nfs/dbraw/zinc/50/35/20/488503520.db2.gz BGFCBJVDFLAIRV-MSOLQXFVSA-N 2 2 363.502 0.703 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000104806659 488505624 /nfs/dbraw/zinc/50/56/24/488505624.db2.gz RYGIBHKNGOUBDT-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000104806659 488505626 /nfs/dbraw/zinc/50/56/26/488505626.db2.gz RYGIBHKNGOUBDT-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000249082208 488505976 /nfs/dbraw/zinc/50/59/76/488505976.db2.gz DFZPHYOTJVAJPS-IAGOWNOFSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000249082208 488505979 /nfs/dbraw/zinc/50/59/79/488505979.db2.gz DFZPHYOTJVAJPS-IAGOWNOFSA-N 2 2 370.538 0.830 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)[C@H](C)C2)CCO1 ZINC000249109570 488506051 /nfs/dbraw/zinc/50/60/51/488506051.db2.gz XPQWOABVSZADLR-QRVBRYPASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@@H](C)C3)[C@H](C)C2)CCO1 ZINC000249109570 488506052 /nfs/dbraw/zinc/50/60/52/488506052.db2.gz XPQWOABVSZADLR-QRVBRYPASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)[C@H](C)C2)CCO1 ZINC000249109570 488506054 /nfs/dbraw/zinc/50/60/54/488506054.db2.gz XPQWOABVSZADLR-QRVBRYPASA-N 2 2 354.539 0.434 20 0 FCADLP Cc1nccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000106041272 488511329 /nfs/dbraw/zinc/51/13/29/488511329.db2.gz DBHIVSQCDSGYOO-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107371351 488517273 /nfs/dbraw/zinc/51/72/73/488517273.db2.gz BDGMZESVCNLZMV-GOSISDBHSA-N 3 2 351.539 0.299 20 0 FCADLP CC(C)(C)[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(N)=O ZINC000109330694 488522788 /nfs/dbraw/zinc/52/27/88/488522788.db2.gz WCMFMLFXMCSJQY-OAHLLOKOSA-N 2 2 352.504 0.882 20 0 FCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271515650 488523964 /nfs/dbraw/zinc/52/39/64/488523964.db2.gz UDFXEIUNWPXDCM-LSDHHAIUSA-N 2 2 362.478 0.396 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000111579805 488530236 /nfs/dbraw/zinc/53/02/36/488530236.db2.gz CWLHUTFJWLDINI-UHFFFAOYSA-N 2 2 366.428 0.347 20 0 FCADLP C[C@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000111661708 488530822 /nfs/dbraw/zinc/53/08/22/488530822.db2.gz MIHAJRDULVTULR-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP Cn1cnc2cc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000271704276 488540282 /nfs/dbraw/zinc/54/02/82/488540282.db2.gz UAHGUTPJVFLMGV-MRXNPFEDSA-N 2 2 357.458 0.596 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[NH+]3CCC(O)CC3)CC2)CC1 ZINC000569942138 491205115 /nfs/dbraw/zinc/20/51/15/491205115.db2.gz YTQBIJPUROMPJL-UHFFFAOYSA-N 3 2 366.550 0.756 20 0 FCADLP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000118123761 488552990 /nfs/dbraw/zinc/55/29/90/488552990.db2.gz QIHPGDCMVUJZNT-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000118123761 488552992 /nfs/dbraw/zinc/55/29/92/488552992.db2.gz QIHPGDCMVUJZNT-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000262158334 488554408 /nfs/dbraw/zinc/55/44/08/488554408.db2.gz PPVQVXCDWALTQO-SFHVURJKSA-N 2 2 362.474 0.235 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000262202252 488556872 /nfs/dbraw/zinc/55/68/72/488556872.db2.gz SKPHXUIWGHURDD-SFHVURJKSA-N 2 2 362.474 0.309 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000119630335 488558232 /nfs/dbraw/zinc/55/82/32/488558232.db2.gz OVPSNICNNSTBTG-HNNXBMFYSA-N 2 2 350.467 0.502 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000119630335 488558233 /nfs/dbraw/zinc/55/82/33/488558233.db2.gz OVPSNICNNSTBTG-HNNXBMFYSA-N 2 2 350.467 0.502 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000569942521 491205744 /nfs/dbraw/zinc/20/57/44/491205744.db2.gz YHPRITBXNVSYDS-GOSISDBHSA-N 3 2 361.490 0.668 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000569942521 491205745 /nfs/dbraw/zinc/20/57/45/491205745.db2.gz YHPRITBXNVSYDS-GOSISDBHSA-N 3 2 361.490 0.668 20 0 FCADLP C[C@@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000120360902 488561542 /nfs/dbraw/zinc/56/15/42/488561542.db2.gz SFECUAUMZQDISX-GJZGRUSLSA-N 2 2 354.476 0.300 20 0 FCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000120686348 488562950 /nfs/dbraw/zinc/56/29/50/488562950.db2.gz ROXRFLVIIHESDM-UHFFFAOYSA-N 2 2 361.446 0.265 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](C)C[NH3+])c2)CC1 ZINC000262322671 488563963 /nfs/dbraw/zinc/56/39/63/488563963.db2.gz CWWVBGQDOWAQHL-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP COC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000262366520 488566539 /nfs/dbraw/zinc/56/65/39/488566539.db2.gz WDPCGKLRALJPKB-CQSZACIVSA-N 2 2 351.838 0.606 20 0 FCADLP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)nc1 ZINC000121333353 488566569 /nfs/dbraw/zinc/56/65/69/488566569.db2.gz IBNFMSUVMHSOQW-INIZCTEOSA-N 2 2 359.474 0.815 20 0 FCADLP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)nc1 ZINC000121333353 488566573 /nfs/dbraw/zinc/56/65/73/488566573.db2.gz IBNFMSUVMHSOQW-INIZCTEOSA-N 2 2 359.474 0.815 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[NH+](Cc4ccccn4)CC3)cn2)CC1 ZINC000121960008 488574050 /nfs/dbraw/zinc/57/40/50/488574050.db2.gz GREMBXYMFJISTR-UHFFFAOYSA-N 2 2 367.501 0.941 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262540685 488576197 /nfs/dbraw/zinc/57/61/97/488576197.db2.gz NESQOGBVSOSWLL-QGZVFWFLSA-N 2 2 360.458 0.584 20 0 FCADLP CC1(C)CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000122651417 488580137 /nfs/dbraw/zinc/58/01/37/488580137.db2.gz WBYONFTWLXQJGQ-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C[NH+]1CCCC1 ZINC000123034646 488582177 /nfs/dbraw/zinc/58/21/77/488582177.db2.gz QVNMUXDPYNJRIH-QGZVFWFLSA-N 2 2 365.522 0.668 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000262667362 488585363 /nfs/dbraw/zinc/58/53/63/488585363.db2.gz PYMDFDVKTWMGPF-FUHWJXTLSA-N 2 2 360.458 0.044 20 0 FCADLP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000262682171 488586185 /nfs/dbraw/zinc/58/61/85/488586185.db2.gz YJFHNAUDWHGGKO-MRXNPFEDSA-N 2 2 361.446 0.829 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123619643 488586759 /nfs/dbraw/zinc/58/67/59/488586759.db2.gz STWJRNDDAXNAMX-ZBFHGGJFSA-N 2 2 359.536 0.732 20 0 FCADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000262709625 488587598 /nfs/dbraw/zinc/58/75/98/488587598.db2.gz OZYDJMDXCOMHDH-WBVHZDCISA-N 2 2 367.515 0.651 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000563056343 491210992 /nfs/dbraw/zinc/21/09/92/491210992.db2.gz IWEANVBPBIPMJJ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000125255424 488599496 /nfs/dbraw/zinc/59/94/96/488599496.db2.gz CYPBCELERKHHCO-MOPGFXCFSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1=CC[N@H+](C)CC1 ZINC000272728182 488600859 /nfs/dbraw/zinc/60/08/59/488600859.db2.gz OPUKHRFNWZVKSI-HNNXBMFYSA-N 2 2 362.478 0.987 20 0 FCADLP C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000272728182 488600861 /nfs/dbraw/zinc/60/08/61/488600861.db2.gz OPUKHRFNWZVKSI-HNNXBMFYSA-N 2 2 362.478 0.987 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000263229789 488607137 /nfs/dbraw/zinc/60/71/37/488607137.db2.gz NFNCQLVLHWIQAW-INIZCTEOSA-N 2 2 368.522 0.452 20 0 FCADLP CCOC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127179492 488615022 /nfs/dbraw/zinc/61/50/22/488615022.db2.gz XBYQVPIXQBAPHO-HNNXBMFYSA-N 2 2 356.492 0.548 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000263698978 488619617 /nfs/dbraw/zinc/61/96/17/488619617.db2.gz AWNQNFZFCCOXEJ-GOSISDBHSA-N 2 2 364.490 0.937 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000263698978 488619619 /nfs/dbraw/zinc/61/96/19/488619619.db2.gz AWNQNFZFCCOXEJ-GOSISDBHSA-N 2 2 364.490 0.937 20 0 FCADLP CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000127946256 488621024 /nfs/dbraw/zinc/62/10/24/488621024.db2.gz KZYORWVHIJQQRB-UHFFFAOYSA-N 2 2 362.474 0.962 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000263736836 488622772 /nfs/dbraw/zinc/62/27/72/488622772.db2.gz ZQAQQUYOYBPGAK-UHFFFAOYSA-N 2 2 374.533 0.477 20 0 FCADLP CCN1CC[NH+](CCC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000263736836 488622775 /nfs/dbraw/zinc/62/27/75/488622775.db2.gz ZQAQQUYOYBPGAK-UHFFFAOYSA-N 2 2 374.533 0.477 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263753921 488624746 /nfs/dbraw/zinc/62/47/46/488624746.db2.gz UZXQWTMAELSBGJ-HUUCEWRRSA-N 2 2 350.467 0.514 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000263753921 488624747 /nfs/dbraw/zinc/62/47/47/488624747.db2.gz UZXQWTMAELSBGJ-HUUCEWRRSA-N 2 2 350.467 0.514 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129463853 488631437 /nfs/dbraw/zinc/63/14/37/488631437.db2.gz SBUARKVXEHKFHD-CYBMUJFWSA-N 2 2 366.487 0.830 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129463853 488631440 /nfs/dbraw/zinc/63/14/40/488631440.db2.gz SBUARKVXEHKFHD-CYBMUJFWSA-N 2 2 366.487 0.830 20 0 FCADLP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000130714491 488639903 /nfs/dbraw/zinc/63/99/03/488639903.db2.gz GKWPPKYFXZJCJT-HNNXBMFYSA-N 2 2 362.449 0.699 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000273378156 488647607 /nfs/dbraw/zinc/64/76/07/488647607.db2.gz FIAXIXLXOFZOMF-UHFFFAOYSA-N 2 2 373.906 0.997 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[NH+]1CCSCC1 ZINC000132971354 488656571 /nfs/dbraw/zinc/65/65/71/488656571.db2.gz FDMFSJRSDRHDPH-HNNXBMFYSA-N 2 2 363.531 0.887 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000136226683 488677231 /nfs/dbraw/zinc/67/72/31/488677231.db2.gz YXKTXAVSIFELNF-WBVHZDCISA-N 2 2 363.506 0.718 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000136875194 488679145 /nfs/dbraw/zinc/67/91/45/488679145.db2.gz QREHDNLPCMRIBG-UHFFFAOYSA-N 2 2 374.489 0.432 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905111 488686379 /nfs/dbraw/zinc/68/63/79/488686379.db2.gz FNOFQAHXPCKLCD-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905111 488686380 /nfs/dbraw/zinc/68/63/80/488686380.db2.gz FNOFQAHXPCKLCD-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905111 488686381 /nfs/dbraw/zinc/68/63/81/488686381.db2.gz FNOFQAHXPCKLCD-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC[C@@H]21 ZINC000139905111 488686382 /nfs/dbraw/zinc/68/63/82/488686382.db2.gz FNOFQAHXPCKLCD-BBRMVZONSA-N 2 2 366.487 0.689 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000264574616 488686816 /nfs/dbraw/zinc/68/68/16/488686816.db2.gz IISFLYOSRFSJPZ-MRXNPFEDSA-N 2 2 363.462 0.438 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000264574616 488686817 /nfs/dbraw/zinc/68/68/17/488686817.db2.gz IISFLYOSRFSJPZ-MRXNPFEDSA-N 2 2 363.462 0.438 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000141624126 488688812 /nfs/dbraw/zinc/68/88/12/488688812.db2.gz KTCCFYUTNWUXLY-QGZVFWFLSA-N 2 2 369.469 0.704 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000141624126 488688815 /nfs/dbraw/zinc/68/88/15/488688815.db2.gz KTCCFYUTNWUXLY-QGZVFWFLSA-N 2 2 369.469 0.704 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000264659493 488695454 /nfs/dbraw/zinc/69/54/54/488695454.db2.gz YJNHTBRKWCPVCF-OAHLLOKOSA-N 2 2 371.445 0.406 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000264659493 488695457 /nfs/dbraw/zinc/69/54/57/488695457.db2.gz YJNHTBRKWCPVCF-OAHLLOKOSA-N 2 2 371.445 0.406 20 0 FCADLP COc1cccc([C@@H](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)c1 ZINC000264713898 488702011 /nfs/dbraw/zinc/70/20/11/488702011.db2.gz DZDJYBJGPWQBOZ-FUHWJXTLSA-N 2 2 363.506 0.843 20 0 FCADLP COc1cccc([C@@H](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)[NH+](C)C)c1 ZINC000264713898 488702014 /nfs/dbraw/zinc/70/20/14/488702014.db2.gz DZDJYBJGPWQBOZ-FUHWJXTLSA-N 2 2 363.506 0.843 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000264713662 488702062 /nfs/dbraw/zinc/70/20/62/488702062.db2.gz JTPQXFLOWHSJCZ-INIZCTEOSA-N 2 2 357.462 0.621 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000264713662 488702063 /nfs/dbraw/zinc/70/20/63/488702063.db2.gz JTPQXFLOWHSJCZ-INIZCTEOSA-N 2 2 357.462 0.621 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000570072141 491214135 /nfs/dbraw/zinc/21/41/35/491214135.db2.gz NZYFVBZVQAZSJU-QGZVFWFLSA-N 2 2 368.522 0.596 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000570072141 491214138 /nfs/dbraw/zinc/21/41/38/491214138.db2.gz NZYFVBZVQAZSJU-QGZVFWFLSA-N 2 2 368.522 0.596 20 0 FCADLP C[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000151773745 488709685 /nfs/dbraw/zinc/70/96/85/488709685.db2.gz ABCOPVZBSHINSX-HNNXBMFYSA-N 2 2 363.531 0.887 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842940 488718327 /nfs/dbraw/zinc/71/83/27/488718327.db2.gz LJYGMUWIHYXKNG-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842940 488718328 /nfs/dbraw/zinc/71/83/28/488718328.db2.gz LJYGMUWIHYXKNG-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP CCC[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000152509735 488718719 /nfs/dbraw/zinc/71/87/19/488718719.db2.gz FNQCZVZMYVMYQP-OAHLLOKOSA-N 2 2 350.467 0.326 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616833 488723746 /nfs/dbraw/zinc/72/37/46/488723746.db2.gz QENDKQAOABQOPC-QZTJIDSGSA-N 2 2 373.501 0.941 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616833 488723748 /nfs/dbraw/zinc/72/37/48/488723748.db2.gz QENDKQAOABQOPC-QZTJIDSGSA-N 2 2 373.501 0.941 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(C(=O)[C@H](C)O)CC3)c2cc1C ZINC000153180437 488727842 /nfs/dbraw/zinc/72/78/42/488727842.db2.gz MTPRELBUWGRVOQ-HOTGVXAUSA-N 2 2 360.458 0.539 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000153647437 488733552 /nfs/dbraw/zinc/73/35/52/488733552.db2.gz IILKGTHUJSRGJB-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000154023615 488737579 /nfs/dbraw/zinc/73/75/79/488737579.db2.gz PGRWNCVXJVZBNI-UHFFFAOYSA-N 2 2 355.527 0.378 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000154023615 488737581 /nfs/dbraw/zinc/73/75/81/488737581.db2.gz PGRWNCVXJVZBNI-UHFFFAOYSA-N 2 2 355.527 0.378 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266870363 488739098 /nfs/dbraw/zinc/73/90/98/488739098.db2.gz XDZBPZCKHGLACN-GOSISDBHSA-N 2 2 374.485 0.588 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266870363 488739100 /nfs/dbraw/zinc/73/91/00/488739100.db2.gz XDZBPZCKHGLACN-GOSISDBHSA-N 2 2 374.485 0.588 20 0 FCADLP O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274896736 488742039 /nfs/dbraw/zinc/74/20/39/488742039.db2.gz RDPQOUBTTGFULG-UHFFFAOYSA-N 2 2 367.453 0.472 20 0 FCADLP O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274896736 488742042 /nfs/dbraw/zinc/74/20/42/488742042.db2.gz RDPQOUBTTGFULG-UHFFFAOYSA-N 2 2 367.453 0.472 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154529691 488744209 /nfs/dbraw/zinc/74/42/09/488744209.db2.gz QQKFMQQFPRHUBZ-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154529691 488744210 /nfs/dbraw/zinc/74/42/10/488744210.db2.gz QQKFMQQFPRHUBZ-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP C[N@H+](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCSC1 ZINC000154604506 488745277 /nfs/dbraw/zinc/74/52/77/488745277.db2.gz BFPVDPXHVNQXGA-HNNXBMFYSA-N 2 2 364.519 0.152 20 0 FCADLP C[N@@H+](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCSC1 ZINC000154604506 488745279 /nfs/dbraw/zinc/74/52/79/488745279.db2.gz BFPVDPXHVNQXGA-HNNXBMFYSA-N 2 2 364.519 0.152 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266958187 488748022 /nfs/dbraw/zinc/74/80/22/488748022.db2.gz WAXFWLHCKQXQSX-GFCCVEGCSA-N 2 2 363.443 0.875 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266958187 488748023 /nfs/dbraw/zinc/74/80/23/488748023.db2.gz WAXFWLHCKQXQSX-GFCCVEGCSA-N 2 2 363.443 0.875 20 0 FCADLP CN1CCN(c2cc(N3CC[NH+](CC4CCOCC4)CC3)nc[nH+]2)CC1=O ZINC000274966286 488748910 /nfs/dbraw/zinc/74/89/10/488748910.db2.gz XKMFCBNNYXSLEO-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCSC1 ZINC000267084236 488759746 /nfs/dbraw/zinc/75/97/46/488759746.db2.gz HBCYCGLDDDAKTJ-SFHVURJKSA-N 2 2 363.531 0.757 20 0 FCADLP CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000156542197 488766080 /nfs/dbraw/zinc/76/60/80/488766080.db2.gz OPTKIWMLIYQRHF-GOSISDBHSA-N 2 2 373.501 0.921 20 0 FCADLP CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000156542197 488766082 /nfs/dbraw/zinc/76/60/82/488766082.db2.gz OPTKIWMLIYQRHF-GOSISDBHSA-N 2 2 373.501 0.921 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H](NC(N)=O)c2cccs2)CC1 ZINC000267219570 488770511 /nfs/dbraw/zinc/77/05/11/488770511.db2.gz HEWMPCNXJQZORK-AWEZNQCLSA-N 2 2 367.519 0.990 20 0 FCADLP CN1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@H]21 ZINC000158869900 488781174 /nfs/dbraw/zinc/78/11/74/488781174.db2.gz JTOAREQMZKEOFC-QZTJIDSGSA-N 2 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)CC2)CC1 ZINC000158869900 488781176 /nfs/dbraw/zinc/78/11/76/488781176.db2.gz JTOAREQMZKEOFC-QZTJIDSGSA-N 3 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)CC2)CC1 ZINC000158869900 488781178 /nfs/dbraw/zinc/78/11/78/488781178.db2.gz JTOAREQMZKEOFC-QZTJIDSGSA-N 3 2 365.522 0.269 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(C(C)(C)C(N)=O)CC3)c2cc1C ZINC000267463596 488788684 /nfs/dbraw/zinc/78/86/84/488788684.db2.gz UAVSGTUHZNSJAW-INIZCTEOSA-N 2 2 373.501 0.896 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000166131085 488811518 /nfs/dbraw/zinc/81/15/18/488811518.db2.gz CUGXUTVPNQGXCM-AWEZNQCLSA-N 2 2 366.487 0.561 20 0 FCADLP O=C(CC1CC[NH2+]CC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000168294859 488812336 /nfs/dbraw/zinc/81/23/36/488812336.db2.gz PNHRSFQMLBIIRY-GOSISDBHSA-N 2 2 361.486 0.960 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000168552963 488812752 /nfs/dbraw/zinc/81/27/52/488812752.db2.gz SKKABRVJJVHFPL-KRWDZBQOSA-N 2 2 374.485 0.711 20 0 FCADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000170698419 488815172 /nfs/dbraw/zinc/81/51/72/488815172.db2.gz FYIPVQRIZOVWOA-UHFFFAOYSA-N 2 2 361.490 0.889 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000170732169 488815558 /nfs/dbraw/zinc/81/55/58/488815558.db2.gz ZZHYMCXXXQJHHK-MRXNPFEDSA-N 2 2 362.474 0.901 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000170732169 488815559 /nfs/dbraw/zinc/81/55/59/488815559.db2.gz ZZHYMCXXXQJHHK-MRXNPFEDSA-N 2 2 362.474 0.901 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000170740970 488815613 /nfs/dbraw/zinc/81/56/13/488815613.db2.gz SLEMWTCMPZZCGQ-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000170740970 488815614 /nfs/dbraw/zinc/81/56/14/488815614.db2.gz SLEMWTCMPZZCGQ-HNNXBMFYSA-N 2 2 353.511 0.665 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N(C)Cc3cnn(C)c3)CC2)c1 ZINC000171612100 488824298 /nfs/dbraw/zinc/82/42/98/488824298.db2.gz JVSOMINTDCAOSO-UHFFFAOYSA-N 2 2 358.446 0.604 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(=O)N1CCCCC1 ZINC000171623034 488824612 /nfs/dbraw/zinc/82/46/12/488824612.db2.gz XGEQDQACYVIFGU-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(=O)N1CCCCC1 ZINC000171623034 488824613 /nfs/dbraw/zinc/82/46/13/488824613.db2.gz XGEQDQACYVIFGU-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000267969993 488831505 /nfs/dbraw/zinc/83/15/05/488831505.db2.gz ZKAQREIIVNQAGA-OAHLLOKOSA-N 2 2 374.445 0.679 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172301900 488832040 /nfs/dbraw/zinc/83/20/40/488832040.db2.gz XBJUHCSBMREFTE-IRXDYDNUSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172301900 488832041 /nfs/dbraw/zinc/83/20/41/488832041.db2.gz XBJUHCSBMREFTE-IRXDYDNUSA-N 2 2 362.474 0.592 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000172458924 488834277 /nfs/dbraw/zinc/83/42/77/488834277.db2.gz JRHLZMUVGNVVFR-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCO1 ZINC000172458924 488834279 /nfs/dbraw/zinc/83/42/79/488834279.db2.gz JRHLZMUVGNVVFR-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CN1CC[NH+]1CCOCC1 ZINC000172697619 488836766 /nfs/dbraw/zinc/83/67/66/488836766.db2.gz RNTHIBCBCIILMH-SFHVURJKSA-N 2 2 369.469 0.895 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000173073248 488840753 /nfs/dbraw/zinc/84/07/53/488840753.db2.gz CJMTUGMGKMVYEB-SFHVURJKSA-N 2 2 368.522 0.356 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000173291291 488842050 /nfs/dbraw/zinc/84/20/50/488842050.db2.gz SUFGYBSGCNAJDA-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000173291291 488842051 /nfs/dbraw/zinc/84/20/51/488842051.db2.gz SUFGYBSGCNAJDA-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000174995943 488852623 /nfs/dbraw/zinc/85/26/23/488852623.db2.gz HQHSSYLLFCXSSQ-UHFFFAOYSA-N 2 2 350.438 0.698 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175261176 488853496 /nfs/dbraw/zinc/85/34/96/488853496.db2.gz ALMWVJHOZSSYOS-JKSUJKDBSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175261176 488853497 /nfs/dbraw/zinc/85/34/97/488853497.db2.gz ALMWVJHOZSSYOS-JKSUJKDBSA-N 2 2 359.474 0.706 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000175719495 488855266 /nfs/dbraw/zinc/85/52/66/488855266.db2.gz UHDIHFOYIIESJA-UHFFFAOYSA-N 3 2 369.554 0.813 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000176073686 488857361 /nfs/dbraw/zinc/85/73/61/488857361.db2.gz WPWIJNOQYFCQOC-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000176073686 488857362 /nfs/dbraw/zinc/85/73/62/488857362.db2.gz WPWIJNOQYFCQOC-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](O)C(F)(F)F ZINC000181269207 488863180 /nfs/dbraw/zinc/86/31/80/488863180.db2.gz NGGZJGXZEZNNFS-ZDUSSCGKSA-N 2 2 360.380 0.975 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](O)C(F)(F)F ZINC000181269207 488863181 /nfs/dbraw/zinc/86/31/81/488863181.db2.gz NGGZJGXZEZNNFS-ZDUSSCGKSA-N 2 2 360.380 0.975 20 0 FCADLP O=S1(=O)CCC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182228798 488864275 /nfs/dbraw/zinc/86/42/75/488864275.db2.gz LZEMQCFKCUHYRJ-SFHVURJKSA-N 2 2 351.516 0.971 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000182279510 488864531 /nfs/dbraw/zinc/86/45/31/488864531.db2.gz MFGYCORMABICLG-QZTJIDSGSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC000182279510 488864532 /nfs/dbraw/zinc/86/45/32/488864532.db2.gz MFGYCORMABICLG-QZTJIDSGSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364726636 488992755 /nfs/dbraw/zinc/99/27/55/488992755.db2.gz YERFKEKAPIQAOW-ZDUSSCGKSA-N 2 2 354.476 0.629 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CCCOCC3)C2)CC1 ZINC000364734859 488994440 /nfs/dbraw/zinc/99/44/40/488994440.db2.gz LSMVISNCUXHLLQ-INIZCTEOSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[NH+]3CCCOCC3)C2)CC1 ZINC000364734859 488994446 /nfs/dbraw/zinc/99/44/46/488994446.db2.gz LSMVISNCUXHLLQ-INIZCTEOSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@@H+]3CCCOCC3)C2)CC1 ZINC000364734859 488994449 /nfs/dbraw/zinc/99/44/49/488994449.db2.gz LSMVISNCUXHLLQ-INIZCTEOSA-N 3 2 353.511 0.176 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@H+]3CCCOCC3)C2)CC1 ZINC000364734859 488994451 /nfs/dbraw/zinc/99/44/51/488994451.db2.gz LSMVISNCUXHLLQ-INIZCTEOSA-N 3 2 353.511 0.176 20 0 FCADLP O=C(NCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000563202968 491227103 /nfs/dbraw/zinc/22/71/03/491227103.db2.gz KAHLJFOLUCNYFL-GJZGRUSLSA-N 2 2 370.457 0.527 20 0 FCADLP Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000280387545 489003536 /nfs/dbraw/zinc/00/35/36/489003536.db2.gz NCKWFAKLFCEFDZ-LJQANCHMSA-N 2 2 364.490 0.050 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289113787 489042845 /nfs/dbraw/zinc/04/28/45/489042845.db2.gz GRGUPVHJOHAKDF-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289113787 489042848 /nfs/dbraw/zinc/04/28/48/489042848.db2.gz GRGUPVHJOHAKDF-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278349 491229795 /nfs/dbraw/zinc/22/97/95/491229795.db2.gz AJKRPWLBTSDHKJ-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278349 491229797 /nfs/dbraw/zinc/22/97/97/491229797.db2.gz AJKRPWLBTSDHKJ-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CC(=O)N2CCC2)cc[nH+]1 ZINC000329902811 489047846 /nfs/dbraw/zinc/04/78/46/489047846.db2.gz HXJHCLVPIIHGIN-KBPBESRZSA-N 2 2 350.442 0.624 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CC(=O)N2CCC2)cc[nH+]1 ZINC000329902811 489047847 /nfs/dbraw/zinc/04/78/47/489047847.db2.gz HXJHCLVPIIHGIN-KBPBESRZSA-N 2 2 350.442 0.624 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000289213920 489050164 /nfs/dbraw/zinc/05/01/64/489050164.db2.gz CDJDJACVPKJZPT-OAHLLOKOSA-N 2 2 357.458 0.497 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000289213920 489050166 /nfs/dbraw/zinc/05/01/66/489050166.db2.gz CDJDJACVPKJZPT-OAHLLOKOSA-N 2 2 357.458 0.497 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281052 489055695 /nfs/dbraw/zinc/05/56/95/489055695.db2.gz SRARVKZZMJIXAT-JKSUJKDBSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281052 489055699 /nfs/dbraw/zinc/05/56/99/489055699.db2.gz SRARVKZZMJIXAT-JKSUJKDBSA-N 2 2 355.442 0.893 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000289308696 489057586 /nfs/dbraw/zinc/05/75/86/489057586.db2.gz WIOITIPBGYROHK-GJZGRUSLSA-N 2 2 373.457 0.566 20 0 FCADLP CO[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000329979712 489057603 /nfs/dbraw/zinc/05/76/03/489057603.db2.gz KCSQKOFOJHNUIH-SFHVURJKSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000330115061 489070414 /nfs/dbraw/zinc/07/04/14/489070414.db2.gz FKCXCBKURWKOGG-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000330115061 489070415 /nfs/dbraw/zinc/07/04/15/489070415.db2.gz FKCXCBKURWKOGG-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000330115061 489070416 /nfs/dbraw/zinc/07/04/16/489070416.db2.gz FKCXCBKURWKOGG-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000330115061 489070417 /nfs/dbraw/zinc/07/04/17/489070417.db2.gz FKCXCBKURWKOGG-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365475359 489079691 /nfs/dbraw/zinc/07/96/91/489079691.db2.gz ZFYMVLZCVMXFTR-KRWDZBQOSA-N 2 2 366.506 0.605 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289597395 489080793 /nfs/dbraw/zinc/08/07/93/489080793.db2.gz ABOKYGOGLLRUAR-IAGOWNOFSA-N 2 2 363.458 0.765 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365572130 489088919 /nfs/dbraw/zinc/08/89/19/489088919.db2.gz VWVGKSVFNREZPB-OAHLLOKOSA-N 2 2 350.463 0.505 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365572130 489088921 /nfs/dbraw/zinc/08/89/21/489088921.db2.gz VWVGKSVFNREZPB-OAHLLOKOSA-N 2 2 350.463 0.505 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000365572129 489089332 /nfs/dbraw/zinc/08/93/32/489089332.db2.gz VWVGKSVFNREZPB-HNNXBMFYSA-N 2 2 350.463 0.505 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000365572129 489089333 /nfs/dbraw/zinc/08/93/33/489089333.db2.gz VWVGKSVFNREZPB-HNNXBMFYSA-N 2 2 350.463 0.505 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)C2 ZINC000563260047 491232863 /nfs/dbraw/zinc/23/28/63/491232863.db2.gz OGZXSTQVWNFQKA-KGLIPLIRSA-N 2 2 352.504 0.595 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C2 ZINC000563260047 491232867 /nfs/dbraw/zinc/23/28/67/491232867.db2.gz OGZXSTQVWNFQKA-KGLIPLIRSA-N 2 2 352.504 0.595 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNc3ccccc3C(N)=O)CC2)CC1 ZINC000289932843 489103078 /nfs/dbraw/zinc/10/30/78/489103078.db2.gz ZAJBJPNDLQGOJB-UHFFFAOYSA-N 2 2 373.501 0.872 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000554934397 491233316 /nfs/dbraw/zinc/23/33/16/491233316.db2.gz LYMYBWJNANLTAM-IBGZPJMESA-N 3 2 366.550 0.708 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000554934397 491233320 /nfs/dbraw/zinc/23/33/20/491233320.db2.gz LYMYBWJNANLTAM-IBGZPJMESA-N 3 2 366.550 0.708 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668332034 493332690 /nfs/dbraw/zinc/33/26/90/493332690.db2.gz ADGXZLDIRLMLDE-QGZVFWFLSA-N 2 2 355.442 0.780 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000668332034 493332692 /nfs/dbraw/zinc/33/26/92/493332692.db2.gz ADGXZLDIRLMLDE-QGZVFWFLSA-N 2 2 355.442 0.780 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3COC[C@@H]3OC)CC2)cc1 ZINC000290082348 489113036 /nfs/dbraw/zinc/11/30/36/489113036.db2.gz GZRUIDAEIWLDCV-ROUUACIJSA-N 2 2 363.458 0.343 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000290128881 489116551 /nfs/dbraw/zinc/11/65/51/489116551.db2.gz LQUMMNSDWJLDGF-UHOSZYNNSA-N 2 2 361.486 0.959 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000290172254 489119145 /nfs/dbraw/zinc/11/91/45/489119145.db2.gz DVOQCUURMABPNI-HNNXBMFYSA-N 2 2 367.421 0.759 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000290279461 489127413 /nfs/dbraw/zinc/12/74/13/489127413.db2.gz WZUJYWRAZWFSBT-HIFRSBDPSA-N 2 2 357.462 0.646 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC1)C2 ZINC000290296477 489128417 /nfs/dbraw/zinc/12/84/17/489128417.db2.gz DQFQEHSIOGQMEQ-DOTOQJQBSA-N 2 2 373.501 0.909 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024276 491235557 /nfs/dbraw/zinc/23/55/57/491235557.db2.gz HRFQSMHCJGMWDR-ZBFHGGJFSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024276 491235560 /nfs/dbraw/zinc/23/55/60/491235560.db2.gz HRFQSMHCJGMWDR-ZBFHGGJFSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024276 491235561 /nfs/dbraw/zinc/23/55/61/491235561.db2.gz HRFQSMHCJGMWDR-ZBFHGGJFSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024276 491235563 /nfs/dbraw/zinc/23/55/63/491235563.db2.gz HRFQSMHCJGMWDR-ZBFHGGJFSA-N 2 2 365.478 0.320 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183429 489155708 /nfs/dbraw/zinc/15/57/08/489155708.db2.gz HTSRDBJUYWWGIH-IRXDYDNUSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183429 489155710 /nfs/dbraw/zinc/15/57/10/489155710.db2.gz HTSRDBJUYWWGIH-IRXDYDNUSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200473 489156866 /nfs/dbraw/zinc/15/68/66/489156866.db2.gz YOCDMYPLHRTIPD-ROUUACIJSA-N 2 2 367.538 0.421 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200473 489156869 /nfs/dbraw/zinc/15/68/69/489156869.db2.gz YOCDMYPLHRTIPD-ROUUACIJSA-N 2 2 367.538 0.421 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000290681999 489157841 /nfs/dbraw/zinc/15/78/41/489157841.db2.gz VPNWCOPQIUIKIX-IRXDYDNUSA-N 2 2 371.485 0.721 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@H+](C)CC1 ZINC000290760110 489163720 /nfs/dbraw/zinc/16/37/20/489163720.db2.gz ZUSLXZLAIADBSR-GOEBONIOSA-N 2 2 357.458 0.543 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@@H+](C)CC1 ZINC000290760110 489163721 /nfs/dbraw/zinc/16/37/21/489163721.db2.gz ZUSLXZLAIADBSR-GOEBONIOSA-N 2 2 357.458 0.543 20 0 FCADLP CC(=O)NCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccsc1 ZINC000282443156 489164366 /nfs/dbraw/zinc/16/43/66/489164366.db2.gz IHYDKYGUNOFZJO-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP CC(=O)NCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccsc1 ZINC000282443156 489164367 /nfs/dbraw/zinc/16/43/67/489164367.db2.gz IHYDKYGUNOFZJO-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCS[C@H]2COCC[C@H]21)[NH+]1CCOCC1 ZINC000366367845 489174809 /nfs/dbraw/zinc/17/48/09/489174809.db2.gz ZTHGCHKRVRBJQC-CABCVRRESA-N 2 2 357.520 0.420 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCS[C@H]2COCC[C@H]21)[NH+]1CCOCC1 ZINC000366367845 489174812 /nfs/dbraw/zinc/17/48/12/489174812.db2.gz ZTHGCHKRVRBJQC-CABCVRRESA-N 2 2 357.520 0.420 20 0 FCADLP O=C(CC[NH2+][C@@H]1CCC(=O)NC12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000282804606 489191243 /nfs/dbraw/zinc/19/12/43/489191243.db2.gz OUDAZUHNUCGQMS-MRXNPFEDSA-N 2 2 371.485 0.911 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282813506 489191930 /nfs/dbraw/zinc/19/19/30/489191930.db2.gz RBEPPKUURDZOPF-QGZVFWFLSA-N 2 2 374.489 0.249 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282813506 489191933 /nfs/dbraw/zinc/19/19/33/489191933.db2.gz RBEPPKUURDZOPF-QGZVFWFLSA-N 2 2 374.489 0.249 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366553469 489194072 /nfs/dbraw/zinc/19/40/72/489194072.db2.gz GZTSVJVBRGGVDR-QAPCUYQASA-N 2 2 368.522 0.584 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366553469 489194074 /nfs/dbraw/zinc/19/40/74/489194074.db2.gz GZTSVJVBRGGVDR-QAPCUYQASA-N 2 2 368.522 0.584 20 0 FCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000555110210 491239199 /nfs/dbraw/zinc/23/91/99/491239199.db2.gz IAEHJIHACHGFMR-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000555110210 491239202 /nfs/dbraw/zinc/23/92/02/491239202.db2.gz IAEHJIHACHGFMR-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@H]1CC[NH2+]C1 ZINC000570399244 491238486 /nfs/dbraw/zinc/23/84/86/491238486.db2.gz CHTIGSXRZGLFPY-SFHVURJKSA-N 2 2 358.486 0.559 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000331363505 489201763 /nfs/dbraw/zinc/20/17/63/489201763.db2.gz AKVGSHITNMWXFH-NJAFHUGGSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000331363505 489201767 /nfs/dbraw/zinc/20/17/67/489201767.db2.gz AKVGSHITNMWXFH-NJAFHUGGSA-N 2 2 358.486 0.945 20 0 FCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC(=O)NCc1ccccc1 ZINC000563352185 491238620 /nfs/dbraw/zinc/23/86/20/491238620.db2.gz AUDZAKXIUMIPIW-UHFFFAOYSA-N 2 2 356.430 0.948 20 0 FCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000570407773 491238729 /nfs/dbraw/zinc/23/87/29/491238729.db2.gz LBUXRGWAWHVKLQ-UHFFFAOYSA-N 2 2 370.461 0.061 20 0 FCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000570402617 491238943 /nfs/dbraw/zinc/23/89/43/491238943.db2.gz BBPFXVSJQHEHSZ-IBGZPJMESA-N 2 2 364.490 0.013 20 0 FCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000570402617 491238945 /nfs/dbraw/zinc/23/89/45/491238945.db2.gz BBPFXVSJQHEHSZ-IBGZPJMESA-N 2 2 364.490 0.013 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000331429611 489209849 /nfs/dbraw/zinc/20/98/49/489209849.db2.gz VRHPYTFBRCOIRH-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000331429611 489209852 /nfs/dbraw/zinc/20/98/52/489209852.db2.gz VRHPYTFBRCOIRH-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000331429611 489209854 /nfs/dbraw/zinc/20/98/54/489209854.db2.gz VRHPYTFBRCOIRH-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000331429611 489209856 /nfs/dbraw/zinc/20/98/56/489209856.db2.gz VRHPYTFBRCOIRH-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)CC1 ZINC000283054131 489210323 /nfs/dbraw/zinc/21/03/23/489210323.db2.gz JCZCYABRWTZBTO-INIZCTEOSA-N 2 2 353.488 0.526 20 0 FCADLP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000283064270 489211885 /nfs/dbraw/zinc/21/18/85/489211885.db2.gz JQVRUMDCNGCPEQ-CYBMUJFWSA-N 2 2 362.438 0.306 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000332562071 489220217 /nfs/dbraw/zinc/22/02/17/489220217.db2.gz XCARNLLXHKTUSR-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)c1 ZINC000332565407 489221335 /nfs/dbraw/zinc/22/13/35/489221335.db2.gz ZEHULYTXYRXUPA-IAGOWNOFSA-N 2 2 358.486 0.848 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1CC[NH+]1CCOCC1 ZINC000297734467 489232155 /nfs/dbraw/zinc/23/21/55/489232155.db2.gz SOORGZZBWFFITQ-GOSISDBHSA-N 3 2 373.501 0.573 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000283253854 489233813 /nfs/dbraw/zinc/23/38/13/489233813.db2.gz MCEHMJZOHNVLIE-WBVHZDCISA-N 2 2 359.474 0.865 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000283253854 489233815 /nfs/dbraw/zinc/23/38/15/489233815.db2.gz MCEHMJZOHNVLIE-WBVHZDCISA-N 2 2 359.474 0.865 20 0 FCADLP COCCOC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369438641 489237273 /nfs/dbraw/zinc/23/72/73/489237273.db2.gz ZNURAQFXXROPAB-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP COCCOC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369438641 489237274 /nfs/dbraw/zinc/23/72/74/489237274.db2.gz ZNURAQFXXROPAB-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000297781460 489239658 /nfs/dbraw/zinc/23/96/58/489239658.db2.gz IWSXIGPPWQYEJJ-UHFFFAOYSA-N 2 2 362.474 0.230 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000283331401 489245813 /nfs/dbraw/zinc/24/58/13/489245813.db2.gz CQEJTOCHJMMRAT-MRXNPFEDSA-N 2 2 359.474 0.769 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570451194 491241749 /nfs/dbraw/zinc/24/17/49/491241749.db2.gz IIRMYOBVLZAXPI-CFVMTHIKSA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570451194 491241752 /nfs/dbraw/zinc/24/17/52/491241752.db2.gz IIRMYOBVLZAXPI-CFVMTHIKSA-N 2 2 366.487 0.640 20 0 FCADLP CCN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332958210 489250561 /nfs/dbraw/zinc/25/05/61/489250561.db2.gz OSDMPLNMKFACIK-CVEARBPZSA-N 2 2 364.494 0.766 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)C2 ZINC000297850562 489251783 /nfs/dbraw/zinc/25/17/83/489251783.db2.gz VFWHMLPDRWBSDF-CZUORRHYSA-N 2 2 361.490 0.837 20 0 FCADLP CCN1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332966768 489252033 /nfs/dbraw/zinc/25/20/33/489252033.db2.gz ZCHONJHIXNSGFE-HOTGVXAUSA-N 2 2 363.510 0.434 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000332978823 489252914 /nfs/dbraw/zinc/25/29/14/489252914.db2.gz SRJGSVRNEHZTKT-HOTGVXAUSA-N 2 2 352.479 0.356 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)C[C@@H]21 ZINC000332978823 489252916 /nfs/dbraw/zinc/25/29/16/489252916.db2.gz SRJGSVRNEHZTKT-HOTGVXAUSA-N 2 2 352.479 0.356 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613536 489257643 /nfs/dbraw/zinc/25/76/43/489257643.db2.gz MABOPDAILIJPHD-SJORKVTESA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613536 489257646 /nfs/dbraw/zinc/25/76/46/489257646.db2.gz MABOPDAILIJPHD-SJORKVTESA-N 2 2 367.490 0.442 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208193 489258561 /nfs/dbraw/zinc/25/85/61/489258561.db2.gz BBMLYUCPIHTCMM-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@H+]1C ZINC000333208193 489258562 /nfs/dbraw/zinc/25/85/62/489258562.db2.gz BBMLYUCPIHTCMM-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208193 489258563 /nfs/dbraw/zinc/25/85/63/489258563.db2.gz BBMLYUCPIHTCMM-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208193 489258564 /nfs/dbraw/zinc/25/85/64/489258564.db2.gz BBMLYUCPIHTCMM-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000283445131 489260035 /nfs/dbraw/zinc/26/00/35/489260035.db2.gz CPYUQOUWGSNHJM-UHFFFAOYSA-N 2 2 371.441 0.327 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000333503550 489261573 /nfs/dbraw/zinc/26/15/73/489261573.db2.gz DOSHQWSGTGDVQN-WMTDPASSSA-N 2 2 354.495 0.648 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)([NH+]2CCOCC2)C1 ZINC000333503546 489261871 /nfs/dbraw/zinc/26/18/71/489261871.db2.gz DOSHQWSGTGDVQN-RSIVFMTNSA-N 2 2 354.495 0.648 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000297940273 489266235 /nfs/dbraw/zinc/26/62/35/489266235.db2.gz TUVLOQWCTBVZCQ-UHFFFAOYSA-N 2 2 359.474 0.719 20 0 FCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CC1([NH+]2CCOCC2)CCCCC1 ZINC000348444908 489271172 /nfs/dbraw/zinc/27/11/72/489271172.db2.gz PGYFKORHPRQUMY-HNNXBMFYSA-N 2 2 361.446 0.908 20 0 FCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CC1([NH+]2CCOCC2)CCCCC1 ZINC000348444908 489271176 /nfs/dbraw/zinc/27/11/76/489271176.db2.gz PGYFKORHPRQUMY-HNNXBMFYSA-N 2 2 361.446 0.908 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000570475834 491243537 /nfs/dbraw/zinc/24/35/37/491243537.db2.gz YRZCFSHZYDEBLH-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000570475834 491243538 /nfs/dbraw/zinc/24/35/38/491243538.db2.gz YRZCFSHZYDEBLH-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)CCCO1 ZINC000283557297 489274904 /nfs/dbraw/zinc/27/49/04/489274904.db2.gz LRCLITAHENXAHS-HNNXBMFYSA-N 2 2 351.451 0.007 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)CCCO1 ZINC000283557297 489274906 /nfs/dbraw/zinc/27/49/06/489274906.db2.gz LRCLITAHENXAHS-HNNXBMFYSA-N 2 2 351.451 0.007 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000563422618 491243595 /nfs/dbraw/zinc/24/35/95/491243595.db2.gz IRHJXJSEGPBAGL-SUZMYJTESA-N 2 2 356.377 0.036 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000369881551 489286635 /nfs/dbraw/zinc/28/66/35/489286635.db2.gz GXZPTBDCYVUWOI-AWEZNQCLSA-N 2 2 367.412 0.820 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000369881551 489286633 /nfs/dbraw/zinc/28/66/33/489286633.db2.gz GXZPTBDCYVUWOI-AWEZNQCLSA-N 2 2 367.412 0.820 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563438952 491245947 /nfs/dbraw/zinc/24/59/47/491245947.db2.gz FGITYNSAUXFXTO-UVBJJODRSA-N 2 2 359.430 0.216 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563438952 491245950 /nfs/dbraw/zinc/24/59/50/491245950.db2.gz FGITYNSAUXFXTO-UVBJJODRSA-N 2 2 359.430 0.216 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@@H](C)O1 ZINC000369949456 489295782 /nfs/dbraw/zinc/29/57/82/489295782.db2.gz XDWBVJJVCMHVIP-YZDRTPDPSA-N 2 2 351.491 0.805 20 0 FCADLP COc1ccccc1C(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369972336 489298402 /nfs/dbraw/zinc/29/84/02/489298402.db2.gz GJZHQFKZPRCCDR-HNNXBMFYSA-N 2 2 374.485 0.710 20 0 FCADLP COc1ccccc1C(=O)NCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369972336 489298404 /nfs/dbraw/zinc/29/84/04/489298404.db2.gz GJZHQFKZPRCCDR-HNNXBMFYSA-N 2 2 374.485 0.710 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000563442727 491247004 /nfs/dbraw/zinc/24/70/04/491247004.db2.gz SLWAFGLTWZAPCY-SJLPKXTDSA-N 2 2 358.486 0.514 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000563442727 491247008 /nfs/dbraw/zinc/24/70/08/491247008.db2.gz SLWAFGLTWZAPCY-SJLPKXTDSA-N 2 2 358.486 0.514 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370066829 489312793 /nfs/dbraw/zinc/31/27/93/489312793.db2.gz UXZJNRLBFJVKGC-NVXWUHKLSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370066829 489312795 /nfs/dbraw/zinc/31/27/95/489312795.db2.gz UXZJNRLBFJVKGC-NVXWUHKLSA-N 2 2 362.478 0.964 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370075982 489313724 /nfs/dbraw/zinc/31/37/24/489313724.db2.gz CUWUBCXMYRUHFK-IRXDYDNUSA-N 3 2 353.511 0.175 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000370075982 489313726 /nfs/dbraw/zinc/31/37/26/489313726.db2.gz CUWUBCXMYRUHFK-IRXDYDNUSA-N 3 2 353.511 0.175 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000298359351 489319677 /nfs/dbraw/zinc/31/96/77/489319677.db2.gz YLLUXSPJQOUCEI-UHFFFAOYSA-N 2 2 363.462 0.392 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370282611 489339372 /nfs/dbraw/zinc/33/93/72/489339372.db2.gz XMXLCJQISQWQMW-VYDXJSESSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370282611 489339375 /nfs/dbraw/zinc/33/93/75/489339375.db2.gz XMXLCJQISQWQMW-VYDXJSESSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000285975357 489340590 /nfs/dbraw/zinc/34/05/90/489340590.db2.gz NYCZAHRHYNTLPD-SJLPKXTDSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000285975357 489340593 /nfs/dbraw/zinc/34/05/93/489340593.db2.gz NYCZAHRHYNTLPD-SJLPKXTDSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000285975357 489340594 /nfs/dbraw/zinc/34/05/94/489340594.db2.gz NYCZAHRHYNTLPD-SJLPKXTDSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000285975357 489340597 /nfs/dbraw/zinc/34/05/97/489340597.db2.gz NYCZAHRHYNTLPD-SJLPKXTDSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000350681108 489345102 /nfs/dbraw/zinc/34/51/02/489345102.db2.gz QBOFJFDCTAUEFV-KBPBESRZSA-N 2 2 351.451 0.433 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000286072407 489352667 /nfs/dbraw/zinc/35/26/67/489352667.db2.gz VHUJRJWOUZEDED-INIZCTEOSA-N 2 2 359.474 0.625 20 0 FCADLP CCCNS(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000563470515 491249879 /nfs/dbraw/zinc/24/98/79/491249879.db2.gz XBOIACPTLPNHQH-AWEZNQCLSA-N 2 2 369.491 0.482 20 0 FCADLP CCCNS(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000563470515 491249882 /nfs/dbraw/zinc/24/98/82/491249882.db2.gz XBOIACPTLPNHQH-AWEZNQCLSA-N 2 2 369.491 0.482 20 0 FCADLP CS(=O)(=O)NCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286151963 489361028 /nfs/dbraw/zinc/36/10/28/489361028.db2.gz VYSOVIRTHHROCO-SFHVURJKSA-N 2 2 366.531 0.428 20 0 FCADLP CS(=O)(=O)NCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286151963 489361031 /nfs/dbraw/zinc/36/10/31/489361031.db2.gz VYSOVIRTHHROCO-SFHVURJKSA-N 2 2 366.531 0.428 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000570567885 491250425 /nfs/dbraw/zinc/25/04/25/491250425.db2.gz ZELLWTSUYLMBJJ-KRWDZBQOSA-N 2 2 355.442 1.041 20 0 FCADLP COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)nn1 ZINC000563493188 491250687 /nfs/dbraw/zinc/25/06/87/491250687.db2.gz VDVVZDHZZALPHS-CQSZACIVSA-N 2 2 373.417 0.161 20 0 FCADLP COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)nn1 ZINC000563493188 491250688 /nfs/dbraw/zinc/25/06/88/491250688.db2.gz VDVVZDHZZALPHS-CQSZACIVSA-N 2 2 373.417 0.161 20 0 FCADLP COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2)nn1 ZINC000563493187 491250773 /nfs/dbraw/zinc/25/07/73/491250773.db2.gz VDVVZDHZZALPHS-AWEZNQCLSA-N 2 2 373.417 0.161 20 0 FCADLP COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2)nn1 ZINC000563493187 491250776 /nfs/dbraw/zinc/25/07/76/491250776.db2.gz VDVVZDHZZALPHS-AWEZNQCLSA-N 2 2 373.417 0.161 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370603020 489381159 /nfs/dbraw/zinc/38/11/59/489381159.db2.gz ISYNSBLZHDSYDD-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000286343797 489382079 /nfs/dbraw/zinc/38/20/79/489382079.db2.gz ZLYWIULGRZCJSN-HNNXBMFYSA-N 2 2 369.469 0.871 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000286343797 489382082 /nfs/dbraw/zinc/38/20/82/489382082.db2.gz ZLYWIULGRZCJSN-HNNXBMFYSA-N 2 2 369.469 0.871 20 0 FCADLP CC[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555558903 491254788 /nfs/dbraw/zinc/25/47/88/491254788.db2.gz ASMGKWRYFMDIKA-ZWKOTPCHSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000555558903 491254791 /nfs/dbraw/zinc/25/47/91/491254791.db2.gz ASMGKWRYFMDIKA-ZWKOTPCHSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000555558903 491254794 /nfs/dbraw/zinc/25/47/94/491254794.db2.gz ASMGKWRYFMDIKA-ZWKOTPCHSA-N 2 2 354.539 0.972 20 0 FCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1c1ccc(CC[NH+]2CCOCC2)cc1 ZINC000286458669 489393541 /nfs/dbraw/zinc/39/35/41/489393541.db2.gz VBDKMBZAZXWHNU-KRWDZBQOSA-N 2 2 369.425 0.952 20 0 FCADLP CC[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000555558903 491254795 /nfs/dbraw/zinc/25/47/95/491254795.db2.gz ASMGKWRYFMDIKA-ZWKOTPCHSA-N 2 2 354.539 0.972 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370780885 489401099 /nfs/dbraw/zinc/40/10/99/489401099.db2.gz WKWTVARAROQNRZ-GOSISDBHSA-N 2 2 373.501 0.527 20 0 FCADLP CN(C(=O)c1ccc(OCC(N)=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830004 489408287 /nfs/dbraw/zinc/40/82/87/489408287.db2.gz KNHDPSGGSHDDBI-QGZVFWFLSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)c1ccc(OCC(N)=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830004 489408288 /nfs/dbraw/zinc/40/82/88/489408288.db2.gz KNHDPSGGSHDDBI-QGZVFWFLSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829593 489408432 /nfs/dbraw/zinc/40/84/32/489408432.db2.gz HMHKWEJTNHRZFH-GOEBONIOSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829593 489408435 /nfs/dbraw/zinc/40/84/35/489408435.db2.gz HMHKWEJTNHRZFH-GOEBONIOSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839113 489409490 /nfs/dbraw/zinc/40/94/90/489409490.db2.gz HNACZOLKUFNBAB-GOSISDBHSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839113 489409491 /nfs/dbraw/zinc/40/94/91/489409491.db2.gz HNACZOLKUFNBAB-GOSISDBHSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)Cc1nc2ncccn2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840662 489409860 /nfs/dbraw/zinc/40/98/60/489409860.db2.gz KTKXXMCAUWVQDP-HNNXBMFYSA-N 2 2 357.462 0.294 20 0 FCADLP CN(C(=O)Cc1nc2ncccn2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840662 489409864 /nfs/dbraw/zinc/40/98/64/489409864.db2.gz KTKXXMCAUWVQDP-HNNXBMFYSA-N 2 2 357.462 0.294 20 0 FCADLP COC(=O)CNC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363040529 489415300 /nfs/dbraw/zinc/41/53/00/489415300.db2.gz WXAXHLBILPQFDK-UHFFFAOYSA-N 3 2 368.522 0.404 20 0 FCADLP COC(=O)CNC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363040529 489415302 /nfs/dbraw/zinc/41/53/02/489415302.db2.gz WXAXHLBILPQFDK-UHFFFAOYSA-N 3 2 368.522 0.404 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753845 489424856 /nfs/dbraw/zinc/42/48/56/489424856.db2.gz RUDLTPVATVDIHE-GDBMZVCRSA-N 2 2 355.442 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753845 489424858 /nfs/dbraw/zinc/42/48/58/489424858.db2.gz RUDLTPVATVDIHE-GDBMZVCRSA-N 2 2 355.442 0.673 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000286784059 489428672 /nfs/dbraw/zinc/42/86/72/489428672.db2.gz ZEDNHYGHQGQTPF-JYJNAYRXSA-N 2 2 363.462 0.130 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000286784059 489428674 /nfs/dbraw/zinc/42/86/74/489428674.db2.gz ZEDNHYGHQGQTPF-JYJNAYRXSA-N 2 2 363.462 0.130 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000299485318 489446588 /nfs/dbraw/zinc/44/65/88/489446588.db2.gz IDKKBGCFXGGBMU-STQMWFEESA-N 2 2 350.419 0.644 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312867 489451520 /nfs/dbraw/zinc/45/15/20/489451520.db2.gz CBAIATIVQDZJKZ-KBPBESRZSA-N 2 2 360.462 0.047 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312867 489451522 /nfs/dbraw/zinc/45/15/22/489451522.db2.gz CBAIATIVQDZJKZ-KBPBESRZSA-N 2 2 360.462 0.047 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3ncc4ccccc4c3=O)C2)CC1 ZINC000363339237 489454474 /nfs/dbraw/zinc/45/44/74/489454474.db2.gz SQMOBMBXMCJSTB-MRXNPFEDSA-N 2 2 369.469 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3ncc4ccccc4c3=O)C2)CC1 ZINC000363339237 489454477 /nfs/dbraw/zinc/45/44/77/489454477.db2.gz SQMOBMBXMCJSTB-MRXNPFEDSA-N 2 2 369.469 0.681 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000287115346 489462269 /nfs/dbraw/zinc/46/22/69/489462269.db2.gz ZXVQUDKEGVCSGQ-UHFFFAOYSA-N 2 2 373.457 0.336 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000299624389 489463967 /nfs/dbraw/zinc/46/39/67/489463967.db2.gz KEYLRGLSBUCAEY-UHFFFAOYSA-N 2 2 362.478 0.387 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296458 489474529 /nfs/dbraw/zinc/47/45/29/489474529.db2.gz ZNJYHHHSKMIGEM-FVQBIDKESA-N 2 2 364.446 0.789 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296458 489474531 /nfs/dbraw/zinc/47/45/31/489474531.db2.gz ZNJYHHHSKMIGEM-FVQBIDKESA-N 2 2 364.446 0.789 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296046 489474760 /nfs/dbraw/zinc/47/47/60/489474760.db2.gz WQONDMGLBLNWMA-WOPDTQHZSA-N 2 2 366.384 0.558 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296046 489474762 /nfs/dbraw/zinc/47/47/62/489474762.db2.gz WQONDMGLBLNWMA-WOPDTQHZSA-N 2 2 366.384 0.558 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563580434 491256076 /nfs/dbraw/zinc/25/60/76/491256076.db2.gz DESROVKMXZHSNM-VYDXJSESSA-N 2 2 354.520 0.730 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC3CCC2CC3)CC1 ZINC000371386663 489481964 /nfs/dbraw/zinc/48/19/64/489481964.db2.gz CQEMYLMXGGSLAA-UHFFFAOYSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC3CCC2CC3)CC1 ZINC000371386663 489481965 /nfs/dbraw/zinc/48/19/65/489481965.db2.gz CQEMYLMXGGSLAA-UHFFFAOYSA-N 2 2 369.473 0.886 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423099765 489493246 /nfs/dbraw/zinc/49/32/46/489493246.db2.gz MKIUXQRWKIVWOD-YPMHNXCESA-N 2 2 363.430 0.600 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000570676696 491256947 /nfs/dbraw/zinc/25/69/47/491256947.db2.gz UZLVNDBRAIXCKZ-VXIBKDFQSA-N 2 2 355.523 0.547 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)n1C ZINC000414308538 489495447 /nfs/dbraw/zinc/49/54/47/489495447.db2.gz QOVYMDGFQUEVHC-HNNXBMFYSA-N 2 2 373.457 0.900 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697384 489499043 /nfs/dbraw/zinc/49/90/43/489499043.db2.gz VUYSYAWAQKNRMW-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697384 489499045 /nfs/dbraw/zinc/49/90/45/489499045.db2.gz VUYSYAWAQKNRMW-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201017 489501864 /nfs/dbraw/zinc/50/18/64/489501864.db2.gz GYVXYMGKWSTZKV-GOEBONIOSA-N 3 2 354.520 0.929 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000423253185 489507733 /nfs/dbraw/zinc/50/77/33/489507733.db2.gz VNUWWQUKMZDMON-OAHLLOKOSA-N 2 2 360.458 0.147 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423298110 489512643 /nfs/dbraw/zinc/51/26/43/489512643.db2.gz NEUYXDSSPWAMHF-FUHWJXTLSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423298110 489512647 /nfs/dbraw/zinc/51/26/47/489512647.db2.gz NEUYXDSSPWAMHF-FUHWJXTLSA-N 2 2 374.485 0.296 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)ccn2)CC1 ZINC000415413545 489518377 /nfs/dbraw/zinc/51/83/77/489518377.db2.gz IOJVWWQWDQCNML-OAHLLOKOSA-N 2 2 362.478 0.964 20 0 FCADLP CC1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891083 489528776 /nfs/dbraw/zinc/52/87/76/489528776.db2.gz NVKYLJVIWDMTMX-PMACEKPBSA-N 3 2 368.566 0.150 20 0 FCADLP CC1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891083 489528779 /nfs/dbraw/zinc/52/87/79/489528779.db2.gz NVKYLJVIWDMTMX-PMACEKPBSA-N 3 2 368.566 0.150 20 0 FCADLP CC1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891083 489528781 /nfs/dbraw/zinc/52/87/81/489528781.db2.gz NVKYLJVIWDMTMX-PMACEKPBSA-N 3 2 368.566 0.150 20 0 FCADLP CC1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891083 489528783 /nfs/dbraw/zinc/52/87/83/489528783.db2.gz NVKYLJVIWDMTMX-PMACEKPBSA-N 3 2 368.566 0.150 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036068 489553344 /nfs/dbraw/zinc/55/33/44/489553344.db2.gz MANJOIAAQSAGEG-SJORKVTESA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036068 489553347 /nfs/dbraw/zinc/55/33/47/489553347.db2.gz MANJOIAAQSAGEG-SJORKVTESA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)C(=O)NCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372174238 489555878 /nfs/dbraw/zinc/55/58/78/489555878.db2.gz WXEKIRHHQXKRQB-INIZCTEOSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)C(=O)NCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372174238 489555881 /nfs/dbraw/zinc/55/58/81/489555881.db2.gz WXEKIRHHQXKRQB-INIZCTEOSA-N 2 2 353.511 0.569 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]1CCO)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000426227698 489559964 /nfs/dbraw/zinc/55/99/64/489559964.db2.gz NJRKXGPSHBZWTJ-KRWDZBQOSA-N 2 2 353.507 0.985 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426370363 489564295 /nfs/dbraw/zinc/56/42/95/489564295.db2.gz HZDRDPGEFSAJHB-HNNXBMFYSA-N 2 2 353.511 0.698 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426370363 489564298 /nfs/dbraw/zinc/56/42/98/489564298.db2.gz HZDRDPGEFSAJHB-HNNXBMFYSA-N 2 2 353.511 0.698 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415953590 489565275 /nfs/dbraw/zinc/56/52/75/489565275.db2.gz MWVJYJNRODNHHT-UHFFFAOYSA-N 2 2 356.434 0.905 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000372294200 489567503 /nfs/dbraw/zinc/56/75/03/489567503.db2.gz MEJVJDIVVVYIEU-FUHWJXTLSA-N 2 2 362.474 0.508 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000372294200 489567506 /nfs/dbraw/zinc/56/75/06/489567506.db2.gz MEJVJDIVVVYIEU-FUHWJXTLSA-N 2 2 362.474 0.508 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372306404 489568750 /nfs/dbraw/zinc/56/87/50/489568750.db2.gz CYHDWZBVKMQGRG-OAHLLOKOSA-N 2 2 353.511 0.616 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372306404 489568751 /nfs/dbraw/zinc/56/87/51/489568751.db2.gz CYHDWZBVKMQGRG-OAHLLOKOSA-N 2 2 353.511 0.616 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668492 491264046 /nfs/dbraw/zinc/26/40/46/491264046.db2.gz VLPPUBDQEJFRCK-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668492 491264047 /nfs/dbraw/zinc/26/40/47/491264047.db2.gz VLPPUBDQEJFRCK-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555667605 491264155 /nfs/dbraw/zinc/26/41/55/491264155.db2.gz WEHDYTCNUQWGLY-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555667605 491264156 /nfs/dbraw/zinc/26/41/56/491264156.db2.gz WEHDYTCNUQWGLY-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000454831770 489578986 /nfs/dbraw/zinc/57/89/86/489578986.db2.gz PNNRHLJWBHAISC-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP O=C(CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000372436081 489584085 /nfs/dbraw/zinc/58/40/85/489584085.db2.gz HMNQSQLHAWZOLO-DNVCBOLYSA-N 2 2 357.458 0.236 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000372533493 489595683 /nfs/dbraw/zinc/59/56/83/489595683.db2.gz LYUYTZKLYIDBGJ-AWEZNQCLSA-N 2 2 351.451 0.041 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000372533493 489595685 /nfs/dbraw/zinc/59/56/85/489595685.db2.gz LYUYTZKLYIDBGJ-AWEZNQCLSA-N 2 2 351.451 0.041 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000416808570 489629775 /nfs/dbraw/zinc/62/97/75/489629775.db2.gz IIWAJPMMEZXBEC-CABCVRRESA-N 2 2 363.462 0.488 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416847580 489631456 /nfs/dbraw/zinc/63/14/56/489631456.db2.gz VKIDQBNYKURGDH-UHFFFAOYSA-N 2 2 355.433 0.697 20 0 FCADLP COCC[NH2+]CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416858924 489631776 /nfs/dbraw/zinc/63/17/76/489631776.db2.gz GJKNLWLVSCQDRY-UHFFFAOYSA-N 2 2 350.463 0.554 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416932106 489634035 /nfs/dbraw/zinc/63/40/35/489634035.db2.gz NKQHNNMHIDHVLO-UHFFFAOYSA-N 2 2 369.416 0.983 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428044714 489634342 /nfs/dbraw/zinc/63/43/42/489634342.db2.gz UUEXQWJRGHYEJY-OWCLPIDISA-N 2 2 360.458 0.636 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428044714 489634345 /nfs/dbraw/zinc/63/43/45/489634345.db2.gz UUEXQWJRGHYEJY-OWCLPIDISA-N 2 2 360.458 0.636 20 0 FCADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH+](CCO)CCO)n2)CC1 ZINC000428225893 489642400 /nfs/dbraw/zinc/64/24/00/489642400.db2.gz TVWZALMPKPPRPY-UHFFFAOYSA-N 2 2 356.492 0.600 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCO1 ZINC000417228878 489645112 /nfs/dbraw/zinc/64/51/12/489645112.db2.gz WXAUHHWVPMJLFE-LBPRGKRZSA-N 2 2 368.235 0.966 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000417272957 489646260 /nfs/dbraw/zinc/64/62/60/489646260.db2.gz RTUIDAHEXNJLQL-YOEHRIQHSA-N 2 2 356.536 0.963 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417316466 489648303 /nfs/dbraw/zinc/64/83/03/489648303.db2.gz FHXLZOKIBQIWOY-VQFNDLOPSA-N 2 2 360.458 0.415 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457555516 489649226 /nfs/dbraw/zinc/64/92/26/489649226.db2.gz COWFKFPLMBPGSJ-WNKDZCFJSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457555516 489649228 /nfs/dbraw/zinc/64/92/28/489649228.db2.gz COWFKFPLMBPGSJ-WNKDZCFJSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457555516 489649230 /nfs/dbraw/zinc/64/92/30/489649230.db2.gz COWFKFPLMBPGSJ-WNKDZCFJSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457555516 489649231 /nfs/dbraw/zinc/64/92/31/489649231.db2.gz COWFKFPLMBPGSJ-WNKDZCFJSA-N 2 2 370.538 0.971 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457600617 489650657 /nfs/dbraw/zinc/65/06/57/489650657.db2.gz NXDOBWSLVFSKPE-IXDOHACOSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457600617 489650659 /nfs/dbraw/zinc/65/06/59/489650659.db2.gz NXDOBWSLVFSKPE-IXDOHACOSA-N 2 2 354.495 0.506 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000457590701 489650873 /nfs/dbraw/zinc/65/08/73/489650873.db2.gz YTCVELWXTAADNK-LUKYLMHMSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000457590701 489650876 /nfs/dbraw/zinc/65/08/76/489650876.db2.gz YTCVELWXTAADNK-LUKYLMHMSA-N 2 2 354.495 0.648 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457618310 489651296 /nfs/dbraw/zinc/65/12/96/489651296.db2.gz ZWEXKCJZCPKYNM-IRXDYDNUSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000457618310 489651297 /nfs/dbraw/zinc/65/12/97/489651297.db2.gz ZWEXKCJZCPKYNM-IRXDYDNUSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062132 489665448 /nfs/dbraw/zinc/66/54/48/489665448.db2.gz AJVRLOODIDOYBF-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373062132 489665451 /nfs/dbraw/zinc/66/54/51/489665451.db2.gz AJVRLOODIDOYBF-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000428839291 489666240 /nfs/dbraw/zinc/66/62/40/489666240.db2.gz JFSPNZYHVLNYLO-INIZCTEOSA-N 2 2 365.522 0.854 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000373128437 489671202 /nfs/dbraw/zinc/67/12/02/489671202.db2.gz VCUMBBZAIUPQHW-DLBZAZTESA-N 2 2 373.505 0.334 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000373128437 489671203 /nfs/dbraw/zinc/67/12/03/489671203.db2.gz VCUMBBZAIUPQHW-DLBZAZTESA-N 2 2 373.505 0.334 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859959 491270194 /nfs/dbraw/zinc/27/01/94/491270194.db2.gz QIWLBGMCAKVSMS-RHSMWYFYSA-N 2 2 366.510 0.110 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859959 491270195 /nfs/dbraw/zinc/27/01/95/491270195.db2.gz QIWLBGMCAKVSMS-RHSMWYFYSA-N 2 2 366.510 0.110 20 0 FCADLP CN1CCC2(CC[NH+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)C1=O ZINC000373148355 489673987 /nfs/dbraw/zinc/67/39/87/489673987.db2.gz VKQLVZXBRWOXDG-UHFFFAOYSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1(CO)CCC1 ZINC000429271507 489678799 /nfs/dbraw/zinc/67/87/99/489678799.db2.gz LHMHMYMHOGYYRA-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1(CO)CCC1 ZINC000429271507 489678802 /nfs/dbraw/zinc/67/88/02/489678802.db2.gz LHMHMYMHOGYYRA-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418217505 489685470 /nfs/dbraw/zinc/68/54/70/489685470.db2.gz PFBDUOJBNYJQHB-ZDUSSCGKSA-N 2 2 361.368 0.726 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418300059 489690341 /nfs/dbraw/zinc/69/03/41/489690341.db2.gz MERHBEUIQSUGJR-UHFFFAOYSA-N 2 2 358.450 0.337 20 0 FCADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CCCCC1 ZINC000418361424 489693403 /nfs/dbraw/zinc/69/34/03/489693403.db2.gz KUWGQOCBQWKMCQ-QGZVFWFLSA-N 2 2 365.522 0.844 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000418441653 489697964 /nfs/dbraw/zinc/69/79/64/489697964.db2.gz SDCBBGJBXSSVIO-OAHLLOKOSA-N 2 2 371.526 0.372 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418478025 489700809 /nfs/dbraw/zinc/70/08/09/489700809.db2.gz YSCYFNBRAZUBML-HZPDHXFCSA-N 2 2 353.511 0.842 20 0 FCADLP COCC[NH2+]CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418510396 489702767 /nfs/dbraw/zinc/70/27/67/489702767.db2.gz PSHQJMWLQWGFRF-UHFFFAOYSA-N 2 2 350.463 0.629 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418509220 489703233 /nfs/dbraw/zinc/70/32/33/489703233.db2.gz ALEZVYGVZJXAGC-CABCVRRESA-N 2 2 354.401 0.875 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418509220 489703239 /nfs/dbraw/zinc/70/32/39/489703239.db2.gz ALEZVYGVZJXAGC-CABCVRRESA-N 2 2 354.401 0.875 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418561850 489707144 /nfs/dbraw/zinc/70/71/44/489707144.db2.gz ZNYAJHPEQJDVHG-GOSISDBHSA-N 2 2 353.511 0.572 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418568501 489707817 /nfs/dbraw/zinc/70/78/17/489707817.db2.gz OTNTZXQPLJKOSC-ZDUSSCGKSA-N 2 2 351.426 0.230 20 0 FCADLP Cc1nc(NC[C@@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000563849061 491272736 /nfs/dbraw/zinc/27/27/36/491272736.db2.gz LDVVKEFIBCYIDU-HOTGVXAUSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000563849061 491272738 /nfs/dbraw/zinc/27/27/38/491272738.db2.gz LDVVKEFIBCYIDU-HOTGVXAUSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(NC[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849061 491272740 /nfs/dbraw/zinc/27/27/40/491272740.db2.gz LDVVKEFIBCYIDU-HOTGVXAUSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(NC[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849061 491272743 /nfs/dbraw/zinc/27/27/43/491272743.db2.gz LDVVKEFIBCYIDU-HOTGVXAUSA-N 3 2 371.533 0.816 20 0 FCADLP COC[C@]1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418635079 489713221 /nfs/dbraw/zinc/71/32/21/489713221.db2.gz KDWUGJOPSUHEJI-GOSISDBHSA-N 3 2 355.527 0.422 20 0 FCADLP COC[C@]1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000418635079 489713225 /nfs/dbraw/zinc/71/32/25/489713225.db2.gz KDWUGJOPSUHEJI-GOSISDBHSA-N 3 2 355.527 0.422 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418758312 489723470 /nfs/dbraw/zinc/72/34/70/489723470.db2.gz CMMQAPFCCVKHJT-DLBZAZTESA-N 2 2 365.522 0.857 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000418798306 489729265 /nfs/dbraw/zinc/72/92/65/489729265.db2.gz HCPVTDRGDXGABM-CYBMUJFWSA-N 2 2 368.428 0.901 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000418798306 489729268 /nfs/dbraw/zinc/72/92/68/489729268.db2.gz HCPVTDRGDXGABM-CYBMUJFWSA-N 2 2 368.428 0.901 20 0 FCADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489859074 489731564 /nfs/dbraw/zinc/73/15/64/489731564.db2.gz PHKXCDHDCMNMKR-IKGGRYGDSA-N 2 2 374.485 0.311 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCc1c(F)cccc1F ZINC000489882983 489733316 /nfs/dbraw/zinc/73/33/16/489733316.db2.gz JFDIKXCMJHSKJE-CQSZACIVSA-N 2 2 352.429 0.603 20 0 FCADLP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418809398 489733605 /nfs/dbraw/zinc/73/36/05/489733605.db2.gz SOQOIONBYWGURK-CYBMUJFWSA-N 2 2 356.829 0.635 20 0 FCADLP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418809398 489733608 /nfs/dbraw/zinc/73/36/08/489733608.db2.gz SOQOIONBYWGURK-CYBMUJFWSA-N 2 2 356.829 0.635 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1SC ZINC000459459831 489733930 /nfs/dbraw/zinc/73/39/30/489733930.db2.gz ICPFPHYNXUGQAU-MPTYRVRUSA-N 2 2 357.520 0.418 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570986850 491278614 /nfs/dbraw/zinc/27/86/14/491278614.db2.gz PUTGTMWNSXOAIB-RZLSGREXSA-N 2 2 360.458 0.505 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570986850 491278615 /nfs/dbraw/zinc/27/86/15/491278615.db2.gz PUTGTMWNSXOAIB-RZLSGREXSA-N 2 2 360.458 0.505 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCN1CCc2ccccc21 ZINC000489944531 489736958 /nfs/dbraw/zinc/73/69/58/489736958.db2.gz YMABCDFUEMGCIH-GOSISDBHSA-N 2 2 357.502 0.145 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489959320 489737920 /nfs/dbraw/zinc/73/79/20/489737920.db2.gz UZQLUFGSDRSGDW-OAGGEKHMSA-N 2 2 351.495 0.370 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824874 489739873 /nfs/dbraw/zinc/73/98/73/489739873.db2.gz DIMXSSNVGDEFSP-SFHVURJKSA-N 2 2 372.469 0.040 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824874 489739877 /nfs/dbraw/zinc/73/98/77/489739877.db2.gz DIMXSSNVGDEFSP-SFHVURJKSA-N 2 2 372.469 0.040 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430548798 489744447 /nfs/dbraw/zinc/74/44/47/489744447.db2.gz HOVUAVVLWRTOTG-XQQFMLRXSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430548798 489744452 /nfs/dbraw/zinc/74/44/52/489744452.db2.gz HOVUAVVLWRTOTG-XQQFMLRXSA-N 2 2 354.476 0.720 20 0 FCADLP CCN1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474211978 489747254 /nfs/dbraw/zinc/74/72/54/489747254.db2.gz ODHODSHUXXUGFE-MRXNPFEDSA-N 2 2 364.494 0.910 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000418838992 489748813 /nfs/dbraw/zinc/74/88/13/489748813.db2.gz WGKCEXSPSRNZJN-RWMBFGLXSA-N 2 2 352.435 0.228 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000418838994 489748871 /nfs/dbraw/zinc/74/88/71/489748871.db2.gz WGKCEXSPSRNZJN-YNEHKIRRSA-N 2 2 352.435 0.228 20 0 FCADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000430589624 489749349 /nfs/dbraw/zinc/74/93/49/489749349.db2.gz FIGWOIFNMUVVOW-CQSZACIVSA-N 2 2 360.867 0.643 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430592814 489749715 /nfs/dbraw/zinc/74/97/15/489749715.db2.gz IAANHDZCXAUQRV-GTNSWQLSSA-N 2 2 366.487 0.329 20 0 FCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000430608164 489751963 /nfs/dbraw/zinc/75/19/63/489751963.db2.gz DQPQPTAGCOPYKJ-AWEZNQCLSA-N 2 2 366.487 0.833 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000430608164 489751965 /nfs/dbraw/zinc/75/19/65/489751965.db2.gz DQPQPTAGCOPYKJ-AWEZNQCLSA-N 2 2 366.487 0.833 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430606798 489752082 /nfs/dbraw/zinc/75/20/82/489752082.db2.gz ATLNKTQVYXBBCK-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430606798 489752089 /nfs/dbraw/zinc/75/20/89/489752089.db2.gz ATLNKTQVYXBBCK-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430605422 489752776 /nfs/dbraw/zinc/75/27/76/489752776.db2.gz QRRQMBDXXWECEB-OAHLLOKOSA-N 2 2 355.446 0.306 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430605422 489752781 /nfs/dbraw/zinc/75/27/81/489752781.db2.gz QRRQMBDXXWECEB-OAHLLOKOSA-N 2 2 355.446 0.306 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000430614944 489753466 /nfs/dbraw/zinc/75/34/66/489753466.db2.gz ANWYLSWCNYIYLF-GFCCVEGCSA-N 2 2 350.385 0.151 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000430614944 489753472 /nfs/dbraw/zinc/75/34/72/489753472.db2.gz ANWYLSWCNYIYLF-GFCCVEGCSA-N 2 2 350.385 0.151 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN(c2cnccn2)CC1 ZINC000376559089 489754151 /nfs/dbraw/zinc/75/41/51/489754151.db2.gz SLLMJBDZILABFY-QGZVFWFLSA-N 2 2 368.441 0.674 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN(c2cnccn2)CC1 ZINC000376559089 489754154 /nfs/dbraw/zinc/75/41/54/489754154.db2.gz SLLMJBDZILABFY-QGZVFWFLSA-N 2 2 368.441 0.674 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619528 489755353 /nfs/dbraw/zinc/75/53/53/489755353.db2.gz GFQPRDOBTQNZOE-QWHCGFSZSA-N 2 2 351.476 0.614 20 0 FCADLP C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619528 489755357 /nfs/dbraw/zinc/75/53/57/489755357.db2.gz GFQPRDOBTQNZOE-QWHCGFSZSA-N 2 2 351.476 0.614 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000418849718 489755463 /nfs/dbraw/zinc/75/54/63/489755463.db2.gz NCVAGSCFXZVQQN-LBPRGKRZSA-N 2 2 358.389 0.124 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621559 489756115 /nfs/dbraw/zinc/75/61/15/489756115.db2.gz DOUMOYVZABBZIZ-GFCCVEGCSA-N 2 2 370.400 0.979 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621559 489756116 /nfs/dbraw/zinc/75/61/16/489756116.db2.gz DOUMOYVZABBZIZ-GFCCVEGCSA-N 2 2 370.400 0.979 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000555855148 491277001 /nfs/dbraw/zinc/27/70/01/491277001.db2.gz QEMFFVACDFPPNF-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000555855148 491277002 /nfs/dbraw/zinc/27/70/02/491277002.db2.gz QEMFFVACDFPPNF-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000430641640 489759880 /nfs/dbraw/zinc/75/98/80/489759880.db2.gz JCUMKGIABIJUQN-UHFFFAOYSA-N 2 2 369.469 0.416 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000430641640 489759883 /nfs/dbraw/zinc/75/98/83/489759883.db2.gz JCUMKGIABIJUQN-UHFFFAOYSA-N 2 2 369.469 0.416 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430641622 489760879 /nfs/dbraw/zinc/76/08/79/489760879.db2.gz MMMBWMIOSPMWLJ-CQSZACIVSA-N 2 2 366.487 0.833 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000430641622 489760883 /nfs/dbraw/zinc/76/08/83/489760883.db2.gz MMMBWMIOSPMWLJ-CQSZACIVSA-N 2 2 366.487 0.833 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555855106 491277192 /nfs/dbraw/zinc/27/71/92/491277192.db2.gz OYSPSCVRJQKEHB-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647518 489762152 /nfs/dbraw/zinc/76/21/52/489762152.db2.gz QFXOVYIFAMBJJI-KBPBESRZSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647518 489762158 /nfs/dbraw/zinc/76/21/58/489762158.db2.gz QFXOVYIFAMBJJI-KBPBESRZSA-N 2 2 350.438 0.790 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430716113 489766478 /nfs/dbraw/zinc/76/64/78/489766478.db2.gz BVQMXVASXBBFAC-QGZVFWFLSA-N 2 2 359.430 0.862 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430727825 489767747 /nfs/dbraw/zinc/76/77/47/489767747.db2.gz ZUCZGLVAQVBNFO-SFHVURJKSA-N 2 2 358.486 0.617 20 0 FCADLP CC[C@H]1CO[C@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459847869 489767814 /nfs/dbraw/zinc/76/78/14/489767814.db2.gz DHIUJRKSUTVCIO-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H]1CO[C@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459847869 489767818 /nfs/dbraw/zinc/76/78/18/489767818.db2.gz DHIUJRKSUTVCIO-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000430742008 489769013 /nfs/dbraw/zinc/76/90/13/489769013.db2.gz VCKCRLLNDSIWMC-LJQANCHMSA-N 2 2 368.522 0.405 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000430742008 489769017 /nfs/dbraw/zinc/76/90/17/489769017.db2.gz VCKCRLLNDSIWMC-LJQANCHMSA-N 2 2 368.522 0.405 20 0 FCADLP CCN1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474574403 489769928 /nfs/dbraw/zinc/76/99/28/489769928.db2.gz HVFZTPWXTQPTEF-OAHLLOKOSA-N 2 2 364.494 0.909 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000459856885 489770191 /nfs/dbraw/zinc/77/01/91/489770191.db2.gz BUHZDLZQQHKQFW-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000459856885 489770195 /nfs/dbraw/zinc/77/01/95/489770195.db2.gz BUHZDLZQQHKQFW-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP CCn1cc(CN(CCO)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000474565272 489770541 /nfs/dbraw/zinc/77/05/41/489770541.db2.gz VFDUCGBBFYDBJN-UHFFFAOYSA-N 2 2 366.510 0.433 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1Cl ZINC000418881265 489773812 /nfs/dbraw/zinc/77/38/12/489773812.db2.gz WXOGOAUIEJRPRF-LBPRGKRZSA-N 2 2 362.808 0.769 20 0 FCADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000418886358 489775485 /nfs/dbraw/zinc/77/54/85/489775485.db2.gz KWMGSUWUKBBQHZ-SJORKVTESA-N 2 2 371.441 0.270 20 0 FCADLP CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000490649136 489778337 /nfs/dbraw/zinc/77/83/37/489778337.db2.gz MANYXKZGGLMNSY-UHFFFAOYSA-N 2 2 357.495 0.877 20 0 FCADLP CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000490649136 489778343 /nfs/dbraw/zinc/77/83/43/489778343.db2.gz MANYXKZGGLMNSY-UHFFFAOYSA-N 2 2 357.495 0.877 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430942137 489779651 /nfs/dbraw/zinc/77/96/51/489779651.db2.gz KUMVKLPIFVGFAN-GDBMZVCRSA-N 2 2 359.536 0.861 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430957168 489781923 /nfs/dbraw/zinc/78/19/23/489781923.db2.gz RBBMJILWKUCAKX-YCPHGPKFSA-N 2 2 359.536 0.860 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)C2)CC1 ZINC000376712857 489782168 /nfs/dbraw/zinc/78/21/68/489782168.db2.gz SNFKEMDBNUHCFG-NSHDSACASA-N 2 2 365.865 0.732 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)C2)CC1 ZINC000376712857 489782172 /nfs/dbraw/zinc/78/21/72/489782172.db2.gz SNFKEMDBNUHCFG-NSHDSACASA-N 2 2 365.865 0.732 20 0 FCADLP Cc1ccc(CCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c[nH+]1 ZINC000474708007 489782224 /nfs/dbraw/zinc/78/22/24/489782224.db2.gz LEVIRLMPYZRXCU-IAGOWNOFSA-N 2 2 353.488 0.410 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000430960318 489782561 /nfs/dbraw/zinc/78/25/61/489782561.db2.gz IGWHIMRTJZYHSR-UONOGXRCSA-N 2 2 350.438 0.660 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000430960318 489782566 /nfs/dbraw/zinc/78/25/66/489782566.db2.gz IGWHIMRTJZYHSR-UONOGXRCSA-N 2 2 350.438 0.660 20 0 FCADLP O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@H]1COCC[NH2+]1 ZINC000430998255 489783820 /nfs/dbraw/zinc/78/38/20/489783820.db2.gz FFLWARNSBYTXLB-MRXNPFEDSA-N 2 2 359.430 0.365 20 0 FCADLP [NH3+]C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000431030768 489785130 /nfs/dbraw/zinc/78/51/30/489785130.db2.gz QWNSLZZGJUNSMJ-KRWDZBQOSA-N 2 2 354.458 0.457 20 0 FCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)COC3C[NH2+]C3)CCCC2)no1 ZINC000431059803 489787666 /nfs/dbraw/zinc/78/76/66/489787666.db2.gz QINFKIPSFHAYFU-UHFFFAOYSA-N 2 2 351.451 0.785 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000459908745 489787964 /nfs/dbraw/zinc/78/79/64/489787964.db2.gz ATQZXXYNMMEDAA-UHFFFAOYSA-N 2 2 368.522 0.357 20 0 FCADLP CC(C)([NH3+])c1noc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000431097193 489788486 /nfs/dbraw/zinc/78/84/86/489788486.db2.gz CQXZOONZKBXHRA-UHFFFAOYSA-N 2 2 350.467 0.394 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418942838 489798474 /nfs/dbraw/zinc/79/84/74/489798474.db2.gz MATJSXLEUDFZRG-DZGCQCFKSA-N 2 2 364.515 0.856 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418942838 489798478 /nfs/dbraw/zinc/79/84/78/489798478.db2.gz MATJSXLEUDFZRG-DZGCQCFKSA-N 2 2 364.515 0.856 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418946084 489799691 /nfs/dbraw/zinc/79/96/91/489799691.db2.gz QUJSYRKSOFJQJS-UHFFFAOYSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418946084 489799693 /nfs/dbraw/zinc/79/96/93/489799693.db2.gz QUJSYRKSOFJQJS-UHFFFAOYSA-N 2 2 350.488 0.481 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000459938293 489800003 /nfs/dbraw/zinc/80/00/03/489800003.db2.gz VDYKYZYTXFQOSZ-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000459938293 489800005 /nfs/dbraw/zinc/80/00/05/489800005.db2.gz VDYKYZYTXFQOSZ-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000459986303 489809522 /nfs/dbraw/zinc/80/95/22/489809522.db2.gz GEDLRBNEZNMIQJ-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000459986303 489809527 /nfs/dbraw/zinc/80/95/27/489809527.db2.gz GEDLRBNEZNMIQJ-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418993189 489812698 /nfs/dbraw/zinc/81/26/98/489812698.db2.gz KQBGBHWFWVCYQP-LJQANCHMSA-N 2 2 355.442 0.673 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000419017174 489819782 /nfs/dbraw/zinc/81/97/82/489819782.db2.gz AQTORSBUAYJRFY-SFHVURJKSA-N 2 2 359.405 0.825 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419019810 489820442 /nfs/dbraw/zinc/82/04/42/489820442.db2.gz DUUKLOSOCWYIQR-OKILXGFUSA-N 2 2 357.389 0.305 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000419025129 489822610 /nfs/dbraw/zinc/82/26/10/489822610.db2.gz LWCUUKABBPWCDO-OLZOCXBDSA-N 2 2 359.405 0.836 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419029808 489825679 /nfs/dbraw/zinc/82/56/79/489825679.db2.gz SGYOQOIODIJJDK-IBGZPJMESA-N 2 2 371.416 0.840 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419033716 489826158 /nfs/dbraw/zinc/82/61/58/489826158.db2.gz YUQLOQYDIYSERM-LSDHHAIUSA-N 2 2 371.416 0.696 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419032126 489826838 /nfs/dbraw/zinc/82/68/38/489826838.db2.gz WJBOTHZDHAULPI-TZMCWYRMSA-N 2 2 359.405 0.823 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000460052860 489834100 /nfs/dbraw/zinc/83/41/00/489834100.db2.gz CJYDYSAPJOHZSH-HZPDHXFCSA-N 2 2 359.474 0.823 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000492657216 489834222 /nfs/dbraw/zinc/83/42/22/489834222.db2.gz JMHAWWSHVDTGDO-MRXNPFEDSA-N 2 2 373.501 0.649 20 0 FCADLP C[C@@H]1OCC[C@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C[C@@H](C)O2 ZINC000377049370 489844055 /nfs/dbraw/zinc/84/40/55/489844055.db2.gz XFRRDJAIGMIBGQ-GJYPPUQNSA-N 2 2 368.522 0.990 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419082044 489849246 /nfs/dbraw/zinc/84/92/46/489849246.db2.gz PFIVNXFOERGGOA-HOTGVXAUSA-N 2 2 373.432 0.975 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000475912956 489857985 /nfs/dbraw/zinc/85/79/85/489857985.db2.gz UHPICYKKGBAWEB-CVEARBPZSA-N 2 2 359.536 0.828 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000475912956 489857991 /nfs/dbraw/zinc/85/79/91/489857991.db2.gz UHPICYKKGBAWEB-CVEARBPZSA-N 2 2 359.536 0.828 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnnn2C2CCOCC2)CC1 ZINC000432957461 489860529 /nfs/dbraw/zinc/86/05/29/489860529.db2.gz YWGQWPHLEKYOQU-CQSZACIVSA-N 2 2 352.483 0.549 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnnn2C2CCOCC2)CC1 ZINC000432957461 489860530 /nfs/dbraw/zinc/86/05/30/489860530.db2.gz YWGQWPHLEKYOQU-CQSZACIVSA-N 2 2 352.483 0.549 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000460271259 489860765 /nfs/dbraw/zinc/86/07/65/489860765.db2.gz QGTMTWQHRBJRSL-KRWDZBQOSA-N 2 2 355.527 0.376 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000460271259 489860770 /nfs/dbraw/zinc/86/07/70/489860770.db2.gz QGTMTWQHRBJRSL-KRWDZBQOSA-N 2 2 355.527 0.376 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419115531 489861391 /nfs/dbraw/zinc/86/13/91/489861391.db2.gz JTTLQVVTIMBDSR-JKSUJKDBSA-N 2 2 359.474 0.932 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000419114560 489861481 /nfs/dbraw/zinc/86/14/81/489861481.db2.gz IFSYCWFICSZQJR-HNNXBMFYSA-N 2 2 359.474 0.885 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000419114599 489861574 /nfs/dbraw/zinc/86/15/74/489861574.db2.gz INPOTWCQVLBTBO-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1C[NH3+] ZINC000419114987 489861882 /nfs/dbraw/zinc/86/18/82/489861882.db2.gz IPDGRRLNBXUQNY-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419115533 489861993 /nfs/dbraw/zinc/86/19/93/489861993.db2.gz JTYVBHXIUWEAJT-DLBZAZTESA-N 2 2 370.538 0.681 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119807 489864363 /nfs/dbraw/zinc/86/43/63/489864363.db2.gz PGCHLHUHGVKCKJ-BRWVUGGUSA-N 2 2 368.522 0.435 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000419119810 489864669 /nfs/dbraw/zinc/86/46/69/489864669.db2.gz PGFLDGUCFSJWHR-KRWDZBQOSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419122390 489865993 /nfs/dbraw/zinc/86/59/93/489865993.db2.gz TXNVTPJCMDWOMM-OAGGEKHMSA-N 2 2 354.495 0.045 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H](C)C[NH2+]1 ZINC000419122431 489866505 /nfs/dbraw/zinc/86/65/05/489866505.db2.gz UBECEJCDMINOES-GJZGRUSLSA-N 2 2 359.474 0.897 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000419123361 489867193 /nfs/dbraw/zinc/86/71/93/489867193.db2.gz VSBNCEGPLPEESY-ZOBUZTSGSA-N 2 2 368.522 0.448 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419124570 489868046 /nfs/dbraw/zinc/86/80/46/489868046.db2.gz XTZRZLGDTHTCHA-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419124571 489868292 /nfs/dbraw/zinc/86/82/92/489868292.db2.gz XTZRZLGDTHTCHA-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419983426 489872886 /nfs/dbraw/zinc/87/28/86/489872886.db2.gz UQRHRNJTABQNNF-NADMHLTPSA-N 2 2 358.486 0.816 20 0 FCADLP C[C@H]1CN(Cc2nnnn2C2CCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000433242334 489873159 /nfs/dbraw/zinc/87/31/59/489873159.db2.gz FTRSAIQBMVIKBS-HNNXBMFYSA-N 2 2 363.510 0.625 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419983042 489873220 /nfs/dbraw/zinc/87/32/20/489873220.db2.gz UALYNHFVHMBQRN-QGZVFWFLSA-N 2 2 364.465 0.960 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419983042 489873224 /nfs/dbraw/zinc/87/32/24/489873224.db2.gz UALYNHFVHMBQRN-QGZVFWFLSA-N 2 2 364.465 0.960 20 0 FCADLP C[C@H]1CN(Cc2nnnn2C2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000433242334 489873164 /nfs/dbraw/zinc/87/31/64/489873164.db2.gz FTRSAIQBMVIKBS-HNNXBMFYSA-N 2 2 363.510 0.625 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187870 489873219 /nfs/dbraw/zinc/87/32/19/489873219.db2.gz FFKBQHBXWCUTPU-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187870 489873223 /nfs/dbraw/zinc/87/32/23/489873223.db2.gz FFKBQHBXWCUTPU-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419994085 489876008 /nfs/dbraw/zinc/87/60/08/489876008.db2.gz GXOIENQTDYHYFL-INIZCTEOSA-N 2 2 359.474 0.545 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCOCC2(C)C)CCCO1 ZINC000433336916 489876262 /nfs/dbraw/zinc/87/62/62/489876262.db2.gz XFSLUILRAUAVPH-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCOCC2(C)C)CCCO1 ZINC000433336916 489876263 /nfs/dbraw/zinc/87/62/63/489876263.db2.gz XFSLUILRAUAVPH-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CCCO1 ZINC000433336916 489876264 /nfs/dbraw/zinc/87/62/64/489876264.db2.gz XFSLUILRAUAVPH-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOCC2(C)C)CCCO1 ZINC000433336916 489876265 /nfs/dbraw/zinc/87/62/65/489876265.db2.gz XFSLUILRAUAVPH-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000420001084 489877171 /nfs/dbraw/zinc/87/71/71/489877171.db2.gz PFMWWMHWRNKTPV-NVXWUHKLSA-N 2 2 366.506 0.062 20 0 FCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000420001084 489877175 /nfs/dbraw/zinc/87/71/75/489877175.db2.gz PFMWWMHWRNKTPV-NVXWUHKLSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019199 489882031 /nfs/dbraw/zinc/88/20/31/489882031.db2.gz ZXDAUMISLZTCQQ-DJIMGWMZSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019199 489882035 /nfs/dbraw/zinc/88/20/35/489882035.db2.gz ZXDAUMISLZTCQQ-DJIMGWMZSA-N 3 2 367.538 0.245 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420022794 489883027 /nfs/dbraw/zinc/88/30/27/489883027.db2.gz WNMFHICMTAJTRN-XHSDSOJGSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420022794 489883031 /nfs/dbraw/zinc/88/30/31/489883031.db2.gz WNMFHICMTAJTRN-XHSDSOJGSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420022792 489883146 /nfs/dbraw/zinc/88/31/46/489883146.db2.gz WNMFHICMTAJTRN-BZUAXINKSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420022792 489883148 /nfs/dbraw/zinc/88/31/48/489883148.db2.gz WNMFHICMTAJTRN-BZUAXINKSA-N 2 2 374.489 0.143 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420023091 489884219 /nfs/dbraw/zinc/88/42/19/489884219.db2.gz WXDVOHKIKBYIMQ-HRCADAONSA-N 2 2 361.490 0.835 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000420028273 489886104 /nfs/dbraw/zinc/88/61/04/489886104.db2.gz DDGBHMFAUAMACP-UAGQMJEPSA-N 2 2 374.485 0.731 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000377343906 489889333 /nfs/dbraw/zinc/88/93/33/489889333.db2.gz GCPNVCYNYAHTGJ-OAHLLOKOSA-N 2 2 369.462 0.798 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000377359101 489892225 /nfs/dbraw/zinc/89/22/25/489892225.db2.gz KCOQWGUKRJHQEB-LSDHHAIUSA-N 2 2 358.446 0.864 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000377359101 489892227 /nfs/dbraw/zinc/89/22/27/489892227.db2.gz KCOQWGUKRJHQEB-LSDHHAIUSA-N 2 2 358.446 0.864 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000460992586 489892478 /nfs/dbraw/zinc/89/24/78/489892478.db2.gz KDIKGMKVJPRRKY-SFHVURJKSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1(F)F ZINC000461001634 489892929 /nfs/dbraw/zinc/89/29/29/489892929.db2.gz QOZFAKZNLNRODS-CZUORRHYSA-N 2 2 372.460 0.584 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000420064564 489900304 /nfs/dbraw/zinc/90/03/04/489900304.db2.gz PCCSFWHGBOBJLS-UKTKYZJWSA-N 2 2 356.470 0.698 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000420064562 489900593 /nfs/dbraw/zinc/90/05/93/489900593.db2.gz PCCSFWHGBOBJLS-NCRRVARUSA-N 2 2 356.470 0.698 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494655407 489902271 /nfs/dbraw/zinc/90/22/71/489902271.db2.gz QHYRKBBYSCFQTB-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000433926560 489904368 /nfs/dbraw/zinc/90/43/68/489904368.db2.gz LDJATQIASILFJZ-MRXNPFEDSA-N 2 2 353.511 0.034 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433940974 489905612 /nfs/dbraw/zinc/90/56/12/489905612.db2.gz NWWVKDXFJYSJLP-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@]1(CO)CCOC1 ZINC000461365527 489906533 /nfs/dbraw/zinc/90/65/33/489906533.db2.gz KWRYEZFKXAEOPP-LJQANCHMSA-N 2 2 369.506 0.221 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@]1(CO)CCOC1 ZINC000461365527 489906535 /nfs/dbraw/zinc/90/65/35/489906535.db2.gz KWRYEZFKXAEOPP-LJQANCHMSA-N 2 2 369.506 0.221 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000461379482 489907044 /nfs/dbraw/zinc/90/70/44/489907044.db2.gz ZWPGQOLVDWVCBT-LJQANCHMSA-N 2 2 363.458 0.541 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000461379482 489907049 /nfs/dbraw/zinc/90/70/49/489907049.db2.gz ZWPGQOLVDWVCBT-LJQANCHMSA-N 2 2 363.458 0.541 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000420086878 489907272 /nfs/dbraw/zinc/90/72/72/489907272.db2.gz ZQFCEHURVQVCBH-CYBMUJFWSA-N 2 2 350.467 0.249 20 0 FCADLP CN(C(=O)[C@H]1C[C@@H]1C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433995860 489908758 /nfs/dbraw/zinc/90/87/58/489908758.db2.gz BAGORCKSEQSMPP-MSOLQXFVSA-N 2 2 362.518 0.729 20 0 FCADLP NC(=O)C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000377495271 489911951 /nfs/dbraw/zinc/91/19/51/489911951.db2.gz XMPZVOHFHCXURK-INIZCTEOSA-N 2 2 366.506 0.335 20 0 FCADLP NC(=O)C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000377495271 489911955 /nfs/dbraw/zinc/91/19/55/489911955.db2.gz XMPZVOHFHCXURK-INIZCTEOSA-N 2 2 366.506 0.335 20 0 FCADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1nncn1C ZINC000494786011 489912718 /nfs/dbraw/zinc/91/27/18/489912718.db2.gz CTYPYGXZMNDCRR-CQSZACIVSA-N 2 2 358.446 0.937 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420110366 489915769 /nfs/dbraw/zinc/91/57/69/489915769.db2.gz FQNOEXMBFUOGGS-JZXOWHBKSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420110366 489915772 /nfs/dbraw/zinc/91/57/72/489915772.db2.gz FQNOEXMBFUOGGS-JZXOWHBKSA-N 2 2 358.486 0.834 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000420112514 489916511 /nfs/dbraw/zinc/91/65/11/489916511.db2.gz BBDJNOXLLHMHRS-NVXWUHKLSA-N 2 2 361.490 0.921 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420126999 489921888 /nfs/dbraw/zinc/92/18/88/489921888.db2.gz OPTWKOLATOQEJW-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420146655 489929910 /nfs/dbraw/zinc/92/99/10/489929910.db2.gz ASYUYSVKHVULSU-OAHLLOKOSA-N 2 2 368.428 0.820 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420146655 489929913 /nfs/dbraw/zinc/92/99/13/489929913.db2.gz ASYUYSVKHVULSU-OAHLLOKOSA-N 2 2 368.428 0.820 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000420168038 489938050 /nfs/dbraw/zinc/93/80/50/489938050.db2.gz PWVNBMICAPODLC-HOTGVXAUSA-N 2 2 360.458 0.956 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000477092744 489941689 /nfs/dbraw/zinc/94/16/89/489941689.db2.gz CSYHEVUJZHRQTP-HZPDHXFCSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420178140 489942655 /nfs/dbraw/zinc/94/26/55/489942655.db2.gz AGBUADVDPWMZSB-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420178140 489942659 /nfs/dbraw/zinc/94/26/59/489942659.db2.gz AGBUADVDPWMZSB-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119088 491290015 /nfs/dbraw/zinc/29/00/15/491290015.db2.gz XJYHHPVJLXZEOH-HOTGVXAUSA-N 2 2 361.490 0.985 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119088 491290016 /nfs/dbraw/zinc/29/00/16/491290016.db2.gz XJYHHPVJLXZEOH-HOTGVXAUSA-N 2 2 361.490 0.985 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000462019949 489951481 /nfs/dbraw/zinc/95/14/81/489951481.db2.gz GLPYXYCILMGOHQ-HNNXBMFYSA-N 2 2 350.507 0.918 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000420219773 489955445 /nfs/dbraw/zinc/95/54/45/489955445.db2.gz YYIXYQZSVLYBDL-AEFFLSMTSA-N 2 2 358.486 0.883 20 0 FCADLP COC(=O)c1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc(C(=O)OC)c1 ZINC000420283290 489959444 /nfs/dbraw/zinc/95/94/44/489959444.db2.gz BWOJMMZOPVTVIJ-GOSISDBHSA-N 2 2 363.414 0.915 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307331 489961592 /nfs/dbraw/zinc/96/15/92/489961592.db2.gz LVLAHSJHBABBNK-NEPJUHHUSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(C(=O)OC)c1 ZINC000420307331 489961594 /nfs/dbraw/zinc/96/15/94/489961594.db2.gz LVLAHSJHBABBNK-NEPJUHHUSA-N 2 2 363.414 0.867 20 0 FCADLP COC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000434873454 489963958 /nfs/dbraw/zinc/96/39/58/489963958.db2.gz JWAFLBWMKJOTEP-DLBZAZTESA-N 2 2 356.511 0.848 20 0 FCADLP COC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000434873454 489963961 /nfs/dbraw/zinc/96/39/61/489963961.db2.gz JWAFLBWMKJOTEP-DLBZAZTESA-N 2 2 356.511 0.848 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346466 489965201 /nfs/dbraw/zinc/96/52/01/489965201.db2.gz CWSQRORGWDIOGR-HUUCEWRRSA-N 2 2 362.474 0.969 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346466 489965204 /nfs/dbraw/zinc/96/52/04/489965204.db2.gz CWSQRORGWDIOGR-HUUCEWRRSA-N 2 2 362.474 0.969 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346461 489965849 /nfs/dbraw/zinc/96/58/49/489965849.db2.gz CWSQRORGWDIOGR-CABCVRRESA-N 2 2 362.474 0.969 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420346461 489965852 /nfs/dbraw/zinc/96/58/52/489965852.db2.gz CWSQRORGWDIOGR-CABCVRRESA-N 2 2 362.474 0.969 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350283 489966425 /nfs/dbraw/zinc/96/64/25/489966425.db2.gz GIAKRJNBAAOHOM-KXBFYZLASA-N 2 2 365.474 0.913 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350283 489966429 /nfs/dbraw/zinc/96/64/29/489966429.db2.gz GIAKRJNBAAOHOM-KXBFYZLASA-N 2 2 365.474 0.913 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420353643 489967283 /nfs/dbraw/zinc/96/72/83/489967283.db2.gz NLNZOBCMWHPYIL-HIFRSBDPSA-N 2 2 350.463 0.286 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420353643 489967285 /nfs/dbraw/zinc/96/72/85/489967285.db2.gz NLNZOBCMWHPYIL-HIFRSBDPSA-N 2 2 350.463 0.286 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000420356555 489967649 /nfs/dbraw/zinc/96/76/49/489967649.db2.gz CTNRNPFHLBXHQD-AGKHESDQSA-N 2 2 354.401 0.996 20 0 FCADLP [NH3+]CCOCCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420365651 489968703 /nfs/dbraw/zinc/96/87/03/489968703.db2.gz FDFCPCHAYVXIOQ-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP COc1ccc(CCNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420379078 489969878 /nfs/dbraw/zinc/96/98/78/489969878.db2.gz AOGCZCKGGYYBDE-HNNXBMFYSA-N 2 2 351.447 0.412 20 0 FCADLP COc1ccc(CCNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420379078 489969880 /nfs/dbraw/zinc/96/98/80/489969880.db2.gz AOGCZCKGGYYBDE-HNNXBMFYSA-N 2 2 351.447 0.412 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)CC[NH3+])c1 ZINC000420389015 489970671 /nfs/dbraw/zinc/97/06/71/489970671.db2.gz XSDIGSGQSQQYTB-UHFFFAOYSA-N 2 2 362.883 0.809 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)CC[NH3+])c1 ZINC000420389015 489970673 /nfs/dbraw/zinc/97/06/73/489970673.db2.gz XSDIGSGQSQQYTB-UHFFFAOYSA-N 2 2 362.883 0.809 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420388583 489970689 /nfs/dbraw/zinc/97/06/89/489970689.db2.gz LKRJPYYUBMKVMZ-OAHLLOKOSA-N 2 2 351.447 0.712 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420388583 489970692 /nfs/dbraw/zinc/97/06/92/489970692.db2.gz LKRJPYYUBMKVMZ-OAHLLOKOSA-N 2 2 351.447 0.712 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420385397 489970907 /nfs/dbraw/zinc/97/09/07/489970907.db2.gz HSNXEBAQZPUBNV-HNNXBMFYSA-N 2 2 357.476 0.365 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420385397 489970910 /nfs/dbraw/zinc/97/09/10/489970910.db2.gz HSNXEBAQZPUBNV-HNNXBMFYSA-N 2 2 357.476 0.365 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000420402308 489971249 /nfs/dbraw/zinc/97/12/49/489971249.db2.gz JZDXJYHKEQIIRS-TZMCWYRMSA-N 2 2 366.487 0.140 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C[NH3+] ZINC000420402308 489971251 /nfs/dbraw/zinc/97/12/51/489971251.db2.gz JZDXJYHKEQIIRS-TZMCWYRMSA-N 2 2 366.487 0.140 20 0 FCADLP O=C(CN1CCO[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000420397464 489971623 /nfs/dbraw/zinc/97/16/23/489971623.db2.gz FNOIHZUNXMVOIV-JKSUJKDBSA-N 2 2 350.488 0.065 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000420392353 489971776 /nfs/dbraw/zinc/97/17/76/489971776.db2.gz PJSDUKOERWEDNN-SZMVWBNQSA-N 3 2 352.523 0.757 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000420410613 489972697 /nfs/dbraw/zinc/97/26/97/489972697.db2.gz YDMTUKDFXLXEGV-DLBZAZTESA-N 2 2 360.502 0.817 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000556071760 491292145 /nfs/dbraw/zinc/29/21/45/491292145.db2.gz VRBLIYGYTUJBHC-HNNXBMFYSA-N 2 2 373.461 0.326 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462404444 489973830 /nfs/dbraw/zinc/97/38/30/489973830.db2.gz WGGZXKLBCZQYBB-BEFAXECRSA-N 2 2 360.458 0.638 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462404444 489973832 /nfs/dbraw/zinc/97/38/32/489973832.db2.gz WGGZXKLBCZQYBB-BEFAXECRSA-N 2 2 360.458 0.638 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)[C@@H](C[NH3+])C1 ZINC000564187165 491292650 /nfs/dbraw/zinc/29/26/50/491292650.db2.gz FUACEXZPTBYCMP-LBPRGKRZSA-N 2 2 366.853 0.976 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)[C@@H](C[NH3+])C1 ZINC000564187165 491292651 /nfs/dbraw/zinc/29/26/51/491292651.db2.gz FUACEXZPTBYCMP-LBPRGKRZSA-N 2 2 366.853 0.976 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000571206178 491292789 /nfs/dbraw/zinc/29/27/89/491292789.db2.gz KOBLLGJDDQUDSR-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000571206178 491292792 /nfs/dbraw/zinc/29/27/92/491292792.db2.gz KOBLLGJDDQUDSR-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000571206178 491292794 /nfs/dbraw/zinc/29/27/94/491292794.db2.gz KOBLLGJDDQUDSR-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000571206178 491292796 /nfs/dbraw/zinc/29/27/96/491292796.db2.gz KOBLLGJDDQUDSR-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP CO[C@@H](C)CS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420470968 489982596 /nfs/dbraw/zinc/98/25/96/489982596.db2.gz ORUQNYQGVAUYLV-HNNXBMFYSA-N 2 2 355.504 0.934 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000556084763 491293119 /nfs/dbraw/zinc/29/31/19/491293119.db2.gz LYQWBIIYJIYVNQ-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000556084763 491293120 /nfs/dbraw/zinc/29/31/20/491293120.db2.gz LYQWBIIYJIYVNQ-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477845141 489993729 /nfs/dbraw/zinc/99/37/29/489993729.db2.gz NSECNJVNHNMUSI-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477845141 489993732 /nfs/dbraw/zinc/99/37/32/489993732.db2.gz NSECNJVNHNMUSI-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477845141 489993734 /nfs/dbraw/zinc/99/37/34/489993734.db2.gz NSECNJVNHNMUSI-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477845141 489993736 /nfs/dbraw/zinc/99/37/36/489993736.db2.gz NSECNJVNHNMUSI-TWMKSMIVSA-N 2 2 370.538 0.971 20 0 FCADLP COc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OCC(=O)N1CCOCC1 ZINC000435375206 490000392 /nfs/dbraw/zinc/00/03/92/490000392.db2.gz UACGVVXGTRFLIE-UHFFFAOYSA-N 2 2 363.458 0.728 20 0 FCADLP COc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OCC(=O)N1CCOCC1 ZINC000435375206 490000396 /nfs/dbraw/zinc/00/03/96/490000396.db2.gz UACGVVXGTRFLIE-UHFFFAOYSA-N 2 2 363.458 0.728 20 0 FCADLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCC(=O)N1CCOCC1 ZINC000435381178 490000403 /nfs/dbraw/zinc/00/04/03/490000403.db2.gz SCZMFPVIIXEQCT-UHFFFAOYSA-N 2 2 363.458 0.856 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000435423142 490001124 /nfs/dbraw/zinc/00/11/24/490001124.db2.gz RZGZWJJBMZFKTQ-CVEARBPZSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435423142 490001127 /nfs/dbraw/zinc/00/11/27/490001127.db2.gz RZGZWJJBMZFKTQ-CVEARBPZSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000435423144 490001407 /nfs/dbraw/zinc/00/14/07/490001407.db2.gz RZGZWJJBMZFKTQ-HZPDHXFCSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435423144 490001409 /nfs/dbraw/zinc/00/14/09/490001409.db2.gz RZGZWJJBMZFKTQ-HZPDHXFCSA-N 2 2 369.510 0.078 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478199502 490009212 /nfs/dbraw/zinc/00/92/12/490009212.db2.gz RNQYGJTWQWWLIP-AEFFLSMTSA-N 2 2 370.538 0.831 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000463414134 490015860 /nfs/dbraw/zinc/01/58/60/490015860.db2.gz MQYYRXCKDSNJHY-QGZVFWFLSA-N 2 2 359.536 0.893 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000463414134 490015864 /nfs/dbraw/zinc/01/58/64/490015864.db2.gz MQYYRXCKDSNJHY-QGZVFWFLSA-N 2 2 359.536 0.893 20 0 FCADLP Cc1c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cnn1C ZINC000437463053 490023031 /nfs/dbraw/zinc/02/30/31/490023031.db2.gz PYDUQTZBXBXABJ-UHFFFAOYSA-N 2 2 350.467 0.151 20 0 FCADLP Cc1c(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cnn1C ZINC000437463053 490023033 /nfs/dbraw/zinc/02/30/33/490023033.db2.gz PYDUQTZBXBXABJ-UHFFFAOYSA-N 2 2 350.467 0.151 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000438331629 490033396 /nfs/dbraw/zinc/03/33/96/490033396.db2.gz OOCAWRSEGVOSPC-GJZGRUSLSA-N 2 2 350.467 0.820 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000438331629 490033397 /nfs/dbraw/zinc/03/33/97/490033397.db2.gz OOCAWRSEGVOSPC-GJZGRUSLSA-N 2 2 350.467 0.820 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438341948 490034951 /nfs/dbraw/zinc/03/49/51/490034951.db2.gz QBFAPYFYBWJICX-HNNXBMFYSA-N 2 2 352.483 1.067 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000556110952 491295298 /nfs/dbraw/zinc/29/52/98/491295298.db2.gz TTZYLMCGHOKJHL-RDJZCZTQSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000556110952 491295300 /nfs/dbraw/zinc/29/53/00/491295300.db2.gz TTZYLMCGHOKJHL-RDJZCZTQSA-N 2 2 366.506 0.014 20 0 FCADLP CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420963547 490036006 /nfs/dbraw/zinc/03/60/06/490036006.db2.gz VOSDRTJNZSHCBV-INIZCTEOSA-N 2 2 350.488 0.603 20 0 FCADLP CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420963547 490036009 /nfs/dbraw/zinc/03/60/09/490036009.db2.gz VOSDRTJNZSHCBV-INIZCTEOSA-N 2 2 350.488 0.603 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000478806685 490039952 /nfs/dbraw/zinc/03/99/52/490039952.db2.gz NEKLNPHXIZJPHG-HNNXBMFYSA-N 2 2 363.462 0.126 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000556109767 491295661 /nfs/dbraw/zinc/29/56/61/491295661.db2.gz DJMIQZVRSFZXFS-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000478900791 490051176 /nfs/dbraw/zinc/05/11/76/490051176.db2.gz JOJLEBXHGKAGES-CQSZACIVSA-N 2 2 362.499 0.575 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000478900791 490051179 /nfs/dbraw/zinc/05/11/79/490051179.db2.gz JOJLEBXHGKAGES-CQSZACIVSA-N 2 2 362.499 0.575 20 0 FCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000478900791 490051184 /nfs/dbraw/zinc/05/11/84/490051184.db2.gz JOJLEBXHGKAGES-CQSZACIVSA-N 2 2 362.499 0.575 20 0 FCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000478900791 490051187 /nfs/dbraw/zinc/05/11/87/490051187.db2.gz JOJLEBXHGKAGES-CQSZACIVSA-N 2 2 362.499 0.575 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228661 490059525 /nfs/dbraw/zinc/05/95/25/490059525.db2.gz RWEKCDZLHJOURQ-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228661 490059528 /nfs/dbraw/zinc/05/95/28/490059528.db2.gz RWEKCDZLHJOURQ-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421224720 490059573 /nfs/dbraw/zinc/05/95/73/490059573.db2.gz LSNBAXOFHGIXPK-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421224720 490059576 /nfs/dbraw/zinc/05/95/76/490059576.db2.gz LSNBAXOFHGIXPK-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP COC(=O)C[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCOC1 ZINC000464596495 490061060 /nfs/dbraw/zinc/06/10/60/490061060.db2.gz DWNAXVXLBKXSEG-GOSISDBHSA-N 2 2 365.430 0.236 20 0 FCADLP COC(=O)C[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCOC1 ZINC000464596498 490061219 /nfs/dbraw/zinc/06/12/19/490061219.db2.gz DWNAXVXLBKXSEG-SFHVURJKSA-N 2 2 365.430 0.236 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000421241070 490061654 /nfs/dbraw/zinc/06/16/54/490061654.db2.gz QBKDYLVKCFUQFC-KRWDZBQOSA-N 2 2 369.469 0.801 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000421241070 490061658 /nfs/dbraw/zinc/06/16/58/490061658.db2.gz QBKDYLVKCFUQFC-KRWDZBQOSA-N 2 2 369.469 0.801 20 0 FCADLP C[N@H+]1CC=C(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000378451388 490067805 /nfs/dbraw/zinc/06/78/05/490067805.db2.gz JPUQJBFVGYUZGW-KRWDZBQOSA-N 2 2 354.520 0.755 20 0 FCADLP C[N@@H+]1CC=C(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000378451388 490067808 /nfs/dbraw/zinc/06/78/08/490067808.db2.gz JPUQJBFVGYUZGW-KRWDZBQOSA-N 2 2 354.520 0.755 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000421409373 490080715 /nfs/dbraw/zinc/08/07/15/490080715.db2.gz QOZDNSWKBGXKBY-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000421409373 490080718 /nfs/dbraw/zinc/08/07/18/490080718.db2.gz QOZDNSWKBGXKBY-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289399 491298126 /nfs/dbraw/zinc/29/81/26/491298126.db2.gz ABOVFFAXAPSWJZ-QUCCMNQESA-N 3 2 361.534 0.886 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289399 491298128 /nfs/dbraw/zinc/29/81/28/491298128.db2.gz ABOVFFAXAPSWJZ-QUCCMNQESA-N 3 2 361.534 0.886 20 0 FCADLP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000495783557 490093552 /nfs/dbraw/zinc/09/35/52/490093552.db2.gz GHOVTMSOXOQPPK-HLLBOEOZSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000495783557 490093554 /nfs/dbraw/zinc/09/35/54/490093554.db2.gz GHOVTMSOXOQPPK-HLLBOEOZSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000519832588 490094647 /nfs/dbraw/zinc/09/46/47/490094647.db2.gz IWCWJYPBXPUKIS-WBVHZDCISA-N 2 2 360.458 0.334 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000519832588 490094651 /nfs/dbraw/zinc/09/46/51/490094651.db2.gz IWCWJYPBXPUKIS-WBVHZDCISA-N 2 2 360.458 0.334 20 0 FCADLP C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCCC1 ZINC000465255136 490097654 /nfs/dbraw/zinc/09/76/54/490097654.db2.gz PPCQHIZRXKENFB-INIZCTEOSA-N 2 2 364.494 1.069 20 0 FCADLP CN(C(=O)[C@@]12C[C@@H]1CCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000421770402 490106140 /nfs/dbraw/zinc/10/61/40/490106140.db2.gz URNMEDQAYHRPMU-JXFKEZNVSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000564311932 491300074 /nfs/dbraw/zinc/30/00/74/491300074.db2.gz QJFBTGNBAHVRSY-HOTGVXAUSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000545336323 490119678 /nfs/dbraw/zinc/11/96/78/490119678.db2.gz SMCNLUBHTMBULD-QGZVFWFLSA-N 2 2 356.511 0.851 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479749378 490121340 /nfs/dbraw/zinc/12/13/40/490121340.db2.gz FDZLDAQLCHHRMQ-MXWKQRLJSA-N 2 2 370.375 0.698 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479749378 490121350 /nfs/dbraw/zinc/12/13/50/490121350.db2.gz FDZLDAQLCHHRMQ-MXWKQRLJSA-N 2 2 370.375 0.698 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000446286825 490158585 /nfs/dbraw/zinc/15/85/85/490158585.db2.gz DYKYMULSBRHNDB-LSDHHAIUSA-N 2 2 351.422 0.878 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000446286825 490158593 /nfs/dbraw/zinc/15/85/93/490158593.db2.gz DYKYMULSBRHNDB-LSDHHAIUSA-N 2 2 351.422 0.878 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000571387882 491304281 /nfs/dbraw/zinc/30/42/81/491304281.db2.gz NPIXPFACEFFBEQ-LBPRGKRZSA-N 2 2 374.894 0.528 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000571387882 491304282 /nfs/dbraw/zinc/30/42/82/491304282.db2.gz NPIXPFACEFFBEQ-LBPRGKRZSA-N 2 2 374.894 0.528 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000571398800 491304990 /nfs/dbraw/zinc/30/49/90/491304990.db2.gz ACWLNEYOZSMFJW-KBPBESRZSA-N 2 2 366.487 0.106 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556246660 491305731 /nfs/dbraw/zinc/30/57/31/491305731.db2.gz KQROMLUJPJJDQM-HNNXBMFYSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556246660 491305732 /nfs/dbraw/zinc/30/57/32/491305732.db2.gz KQROMLUJPJJDQM-HNNXBMFYSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@@]1(CO)CCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000546102105 490188017 /nfs/dbraw/zinc/18/80/17/490188017.db2.gz MGCUDSDLIUIHMM-SFHVURJKSA-N 2 2 353.507 0.985 20 0 FCADLP C[C@@]1(CO)CCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000546102105 490188018 /nfs/dbraw/zinc/18/80/18/490188018.db2.gz MGCUDSDLIUIHMM-SFHVURJKSA-N 2 2 353.507 0.985 20 0 FCADLP COCn1nccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000480451967 490192811 /nfs/dbraw/zinc/19/28/11/490192811.db2.gz GCXGKDPPUJPWOK-UHFFFAOYSA-N 2 2 359.496 0.134 20 0 FCADLP COCn1nccc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000480451967 490192817 /nfs/dbraw/zinc/19/28/17/490192817.db2.gz GCXGKDPPUJPWOK-UHFFFAOYSA-N 2 2 359.496 0.134 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000480479148 490197935 /nfs/dbraw/zinc/19/79/35/490197935.db2.gz GJRRMUXDOFBDHW-LBPRGKRZSA-N 2 2 354.480 0.625 20 0 FCADLP CCCN1C[C@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000422215643 490202788 /nfs/dbraw/zinc/20/27/88/490202788.db2.gz IDGLLZRALQUWJW-INIZCTEOSA-N 2 2 367.538 0.912 20 0 FCADLP CCCN1C[C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000422215643 490202796 /nfs/dbraw/zinc/20/27/96/490202796.db2.gz IDGLLZRALQUWJW-INIZCTEOSA-N 2 2 367.538 0.912 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556273788 491307662 /nfs/dbraw/zinc/30/76/62/491307662.db2.gz SDYIFOKXEYRGTJ-UHFFFAOYSA-N 2 2 361.490 0.821 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556273788 491307664 /nfs/dbraw/zinc/30/76/64/491307664.db2.gz SDYIFOKXEYRGTJ-UHFFFAOYSA-N 2 2 361.490 0.821 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308690 490210310 /nfs/dbraw/zinc/21/03/10/490210310.db2.gz VMDUUROIOLVYJA-PKOBYXMFSA-N 2 2 352.523 0.817 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308690 490210314 /nfs/dbraw/zinc/21/03/14/490210314.db2.gz VMDUUROIOLVYJA-PKOBYXMFSA-N 2 2 352.523 0.817 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000520987705 490212003 /nfs/dbraw/zinc/21/20/03/490212003.db2.gz HDJYDYYMJBHKMH-IAGOWNOFSA-N 2 2 355.527 0.014 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466931804 490228056 /nfs/dbraw/zinc/22/80/56/490228056.db2.gz AAQSTHVKHGXJHS-SFHVURJKSA-N 2 2 373.501 0.902 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466931804 490228064 /nfs/dbraw/zinc/22/80/64/490228064.db2.gz AAQSTHVKHGXJHS-SFHVURJKSA-N 2 2 373.501 0.902 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ncnn2C(C)(C)C)CC1 ZINC000507499558 490229530 /nfs/dbraw/zinc/22/95/30/490229530.db2.gz USQPWXMSDTXLLM-UHFFFAOYSA-N 2 2 351.499 0.858 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000447449111 490235656 /nfs/dbraw/zinc/23/56/56/490235656.db2.gz NSEMUDQQABPAGV-CQSZACIVSA-N 2 2 361.446 0.740 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000533445356 490235713 /nfs/dbraw/zinc/23/57/13/490235713.db2.gz GSUCUCNORBZLKO-INIZCTEOSA-N 2 2 367.538 0.118 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C2)CC1 ZINC000533445356 490235717 /nfs/dbraw/zinc/23/57/17/490235717.db2.gz GSUCUCNORBZLKO-INIZCTEOSA-N 2 2 367.538 0.118 20 0 FCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201653 490236061 /nfs/dbraw/zinc/23/60/61/490236061.db2.gz NQGCWUWDMRCZMF-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201653 490236065 /nfs/dbraw/zinc/23/60/65/490236065.db2.gz NQGCWUWDMRCZMF-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)CCC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000533482145 490243066 /nfs/dbraw/zinc/24/30/66/490243066.db2.gz XIJFCZMNLSLHLR-UHFFFAOYSA-N 2 2 369.506 0.879 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C[C@H]1C ZINC000571501248 491311612 /nfs/dbraw/zinc/31/16/12/491311612.db2.gz BOXKZURXUOTKQF-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937298 490264533 /nfs/dbraw/zinc/26/45/33/490264533.db2.gz NZBBESYXFTZNQE-ZWKOTPCHSA-N 2 2 350.507 0.477 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937298 490264539 /nfs/dbraw/zinc/26/45/39/490264539.db2.gz NZBBESYXFTZNQE-ZWKOTPCHSA-N 2 2 350.507 0.477 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000533643865 490271753 /nfs/dbraw/zinc/27/17/53/490271753.db2.gz VANLSIBLWCSLDS-HUUCEWRRSA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000533643865 490271754 /nfs/dbraw/zinc/27/17/54/490271754.db2.gz VANLSIBLWCSLDS-HUUCEWRRSA-N 2 2 362.540 0.477 20 0 FCADLP CC(C)(CNC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000521695662 490293214 /nfs/dbraw/zinc/29/32/14/490293214.db2.gz BUUNMQLQRFTHQA-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 ZINC000483228500 490296507 /nfs/dbraw/zinc/29/65/07/490296507.db2.gz DRQBFMQOQUYABP-UHFFFAOYSA-N 2 2 363.388 0.649 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556513460 491317430 /nfs/dbraw/zinc/31/74/30/491317430.db2.gz SLIWELMXJIQISQ-GMBSWORKSA-N 2 2 371.485 0.766 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483397046 490313834 /nfs/dbraw/zinc/31/38/34/490313834.db2.gz FIIRLYWVCLXMSG-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000483397046 490313841 /nfs/dbraw/zinc/31/38/41/490313841.db2.gz FIIRLYWVCLXMSG-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000422440137 490320037 /nfs/dbraw/zinc/32/00/37/490320037.db2.gz PKBGLYODQDFLOQ-UHFFFAOYSA-N 2 2 370.538 0.384 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000422440137 490320038 /nfs/dbraw/zinc/32/00/38/490320038.db2.gz PKBGLYODQDFLOQ-UHFFFAOYSA-N 2 2 370.538 0.384 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000534126526 490323527 /nfs/dbraw/zinc/32/35/27/490323527.db2.gz UBEFJQCGNOLSSL-MJGOQNOKSA-N 2 2 373.497 0.968 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000534126526 490323533 /nfs/dbraw/zinc/32/35/33/490323533.db2.gz UBEFJQCGNOLSSL-MJGOQNOKSA-N 2 2 373.497 0.968 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000483501035 490323757 /nfs/dbraw/zinc/32/37/57/490323757.db2.gz JPHYPSUTVUBYRA-IRXDYDNUSA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000483501035 490323761 /nfs/dbraw/zinc/32/37/61/490323761.db2.gz JPHYPSUTVUBYRA-IRXDYDNUSA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000483501035 490323764 /nfs/dbraw/zinc/32/37/64/490323764.db2.gz JPHYPSUTVUBYRA-IRXDYDNUSA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000483501035 490323768 /nfs/dbraw/zinc/32/37/68/490323768.db2.gz JPHYPSUTVUBYRA-IRXDYDNUSA-N 2 2 369.506 0.735 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCCCC1 ZINC000467650594 490326565 /nfs/dbraw/zinc/32/65/65/490326565.db2.gz OGHVNGSUDOIXIK-HZPDHXFCSA-N 2 2 359.536 0.828 20 0 FCADLP C[NH+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467652384 490327180 /nfs/dbraw/zinc/32/71/80/490327180.db2.gz AQKAHBIGFOYGAR-QGZVFWFLSA-N 2 2 367.515 0.939 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000522025704 490330571 /nfs/dbraw/zinc/33/05/71/490330571.db2.gz UWCAQRFHYUOKNW-CVEARBPZSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000522025704 490330575 /nfs/dbraw/zinc/33/05/75/490330575.db2.gz UWCAQRFHYUOKNW-CVEARBPZSA-N 2 2 361.490 0.941 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000534296341 490345145 /nfs/dbraw/zinc/34/51/45/490345145.db2.gz XFYGFHCFIPAPRO-JKSUJKDBSA-N 2 2 353.511 0.569 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534296341 490345148 /nfs/dbraw/zinc/34/51/48/490345148.db2.gz XFYGFHCFIPAPRO-JKSUJKDBSA-N 2 2 353.511 0.569 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000534299000 490346878 /nfs/dbraw/zinc/34/68/78/490346878.db2.gz IVENCZORSKRACV-UHFFFAOYSA-N 2 2 352.446 0.985 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000522142761 490347099 /nfs/dbraw/zinc/34/70/99/490347099.db2.gz FAQKSLVCJNJTAU-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000522142761 490347107 /nfs/dbraw/zinc/34/71/07/490347107.db2.gz FAQKSLVCJNJTAU-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000571628677 491319396 /nfs/dbraw/zinc/31/93/96/491319396.db2.gz PZGKWSULRNBXRM-UHFFFAOYSA-N 2 2 361.490 0.887 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000571628677 491319397 /nfs/dbraw/zinc/31/93/97/491319397.db2.gz PZGKWSULRNBXRM-UHFFFAOYSA-N 2 2 361.490 0.887 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498870868 490359674 /nfs/dbraw/zinc/35/96/74/490359674.db2.gz AASVDTRYFIFGRY-BRWVUGGUSA-N 2 2 361.552 0.995 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000483983744 490365811 /nfs/dbraw/zinc/36/58/11/490365811.db2.gz WHBFMGNKVSKGQJ-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000483983744 490365817 /nfs/dbraw/zinc/36/58/17/490365817.db2.gz WHBFMGNKVSKGQJ-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000498944238 490369775 /nfs/dbraw/zinc/36/97/75/490369775.db2.gz ZXVTWBSORBVMAA-KRWDZBQOSA-N 2 2 358.442 0.830 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000498944238 490369783 /nfs/dbraw/zinc/36/97/83/490369783.db2.gz ZXVTWBSORBVMAA-KRWDZBQOSA-N 2 2 358.442 0.830 20 0 FCADLP CN(C)c1[nH]c2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2[nH+]1 ZINC000468214142 490374516 /nfs/dbraw/zinc/37/45/16/490374516.db2.gz FEKYSJPMDHAGLT-GFCCVEGCSA-N 2 2 358.446 0.978 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529649 490378197 /nfs/dbraw/zinc/37/81/97/490378197.db2.gz QRXYXBSVQKSPAG-RDJZCZTQSA-N 2 2 373.505 0.381 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529649 490378209 /nfs/dbraw/zinc/37/82/09/490378209.db2.gz QRXYXBSVQKSPAG-RDJZCZTQSA-N 2 2 373.505 0.381 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484109124 490386350 /nfs/dbraw/zinc/38/63/50/490386350.db2.gz OKKJVEOUENNVSI-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484109124 490386356 /nfs/dbraw/zinc/38/63/56/490386356.db2.gz OKKJVEOUENNVSI-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067136 490387185 /nfs/dbraw/zinc/38/71/85/490387185.db2.gz KCXLZTCSLDYVNU-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000509067136 490387191 /nfs/dbraw/zinc/38/71/91/490387191.db2.gz KCXLZTCSLDYVNU-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220986 490398200 /nfs/dbraw/zinc/39/82/00/490398200.db2.gz OGSSUKWOLCLPDB-VVLHAWIVSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220986 490398209 /nfs/dbraw/zinc/39/82/09/490398209.db2.gz OGSSUKWOLCLPDB-VVLHAWIVSA-N 2 2 368.522 0.543 20 0 FCADLP C[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2CC23CC3)([NH+]2CCCCC2)CC1 ZINC000422570360 490407586 /nfs/dbraw/zinc/40/75/86/490407586.db2.gz HSZVODKUIMCLSH-INIZCTEOSA-N 2 2 362.518 0.969 20 0 FCADLP COc1ccc(CNC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1OC ZINC000534843913 490415388 /nfs/dbraw/zinc/41/53/88/490415388.db2.gz AXEWNTDIMNZKSV-UHFFFAOYSA-N 2 2 373.457 0.876 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000422595157 490419321 /nfs/dbraw/zinc/41/93/21/490419321.db2.gz YCDVTKCNIVHQAV-UHFFFAOYSA-N 2 2 362.474 0.884 20 0 FCADLP Cc1ccc(NCCCNC(=O)NCCCC[NH+]2CCN(C)CC2)[nH+]c1 ZINC000548116807 490423886 /nfs/dbraw/zinc/42/38/86/490423886.db2.gz DUTSRKBVUYTCTP-UHFFFAOYSA-N 2 2 362.522 1.519 20 0 FCADLP Cc1ccc(NCCCNC(=O)NCCCCN2CC[NH+](C)CC2)[nH+]c1 ZINC000548116807 490423893 /nfs/dbraw/zinc/42/38/93/490423893.db2.gz DUTSRKBVUYTCTP-UHFFFAOYSA-N 2 2 362.522 1.519 20 0 FCADLP C[N@H+](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCSC1 ZINC000535004583 490434468 /nfs/dbraw/zinc/43/44/68/490434468.db2.gz RSQQRBOCYNPDPE-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP C[N@@H+](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCSC1 ZINC000535004583 490434472 /nfs/dbraw/zinc/43/44/72/490434472.db2.gz RSQQRBOCYNPDPE-HNNXBMFYSA-N 2 2 350.488 0.972 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000422633594 490436288 /nfs/dbraw/zinc/43/62/88/490436288.db2.gz IODPJAKIBQLIJX-ZJPYXAASSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000422633594 490436296 /nfs/dbraw/zinc/43/62/96/490436296.db2.gz IODPJAKIBQLIJX-ZJPYXAASSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000422633594 490436302 /nfs/dbraw/zinc/43/63/02/490436302.db2.gz IODPJAKIBQLIJX-ZJPYXAASSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)C1 ZINC000422633594 490436308 /nfs/dbraw/zinc/43/63/08/490436308.db2.gz IODPJAKIBQLIJX-ZJPYXAASSA-N 3 2 354.539 0.765 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000422702157 490459878 /nfs/dbraw/zinc/45/98/78/490459878.db2.gz DGTYSWLJWMEIFD-KRWDZBQOSA-N 3 2 374.529 0.970 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422708284 490462386 /nfs/dbraw/zinc/46/23/86/490462386.db2.gz IUTHDQUOVCPURZ-LSDHHAIUSA-N 3 2 355.508 0.249 20 0 FCADLP Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000548347512 490467600 /nfs/dbraw/zinc/46/76/00/490467600.db2.gz FOUHIEUTWYGJDQ-HOTGVXAUSA-N 2 2 364.494 0.575 20 0 FCADLP COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000422769202 490474377 /nfs/dbraw/zinc/47/43/77/490474377.db2.gz VEWBQTMQAATOJL-ZBFHGGJFSA-N 2 2 371.503 0.468 20 0 FCADLP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422777201 490474918 /nfs/dbraw/zinc/47/49/18/490474918.db2.gz FSRRWBDCIOBMJH-KRWDZBQOSA-N 2 2 359.474 0.931 20 0 FCADLP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422777202 490474979 /nfs/dbraw/zinc/47/49/79/490474979.db2.gz FSRRWBDCIOBMJH-QGZVFWFLSA-N 2 2 359.474 0.931 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000499975120 490475188 /nfs/dbraw/zinc/47/51/88/490475188.db2.gz GKNQPLNDLCTJMA-UHFFFAOYSA-N 2 2 352.454 0.830 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000499975120 490475194 /nfs/dbraw/zinc/47/51/94/490475194.db2.gz GKNQPLNDLCTJMA-UHFFFAOYSA-N 2 2 352.454 0.830 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000499975120 490475203 /nfs/dbraw/zinc/47/52/03/490475203.db2.gz GKNQPLNDLCTJMA-UHFFFAOYSA-N 2 2 352.454 0.830 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000499975120 490475207 /nfs/dbraw/zinc/47/52/07/490475207.db2.gz GKNQPLNDLCTJMA-UHFFFAOYSA-N 2 2 352.454 0.830 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000422819000 490481826 /nfs/dbraw/zinc/48/18/26/490481826.db2.gz LXZBCFSYTPZYLA-ZIAGYGMSSA-N 2 2 353.488 0.844 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837260 490483743 /nfs/dbraw/zinc/48/37/43/490483743.db2.gz LRUVRSHFTVDYRG-NVXWUHKLSA-N 3 2 354.539 0.970 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966224 490483791 /nfs/dbraw/zinc/48/37/91/490483791.db2.gz AUPFQMLDAQXUOK-FUHWJXTLSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966224 490483794 /nfs/dbraw/zinc/48/37/94/490483794.db2.gz AUPFQMLDAQXUOK-FUHWJXTLSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966228 490483848 /nfs/dbraw/zinc/48/38/48/490483848.db2.gz AUPFQMLDAQXUOK-WMZOPIPTSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966228 490483853 /nfs/dbraw/zinc/48/38/53/490483853.db2.gz AUPFQMLDAQXUOK-WMZOPIPTSA-N 3 2 360.502 0.804 20 0 FCADLP COCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000535382778 490486235 /nfs/dbraw/zinc/48/62/35/490486235.db2.gz VJURAEJPCMWUJU-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000484992028 490488019 /nfs/dbraw/zinc/48/80/19/490488019.db2.gz XACWAZKNUPRMMW-STQMWFEESA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000484992028 490488023 /nfs/dbraw/zinc/48/80/23/490488023.db2.gz XACWAZKNUPRMMW-STQMWFEESA-N 2 2 351.447 0.998 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+](C)C1 ZINC000413897095 490506339 /nfs/dbraw/zinc/50/63/39/490506339.db2.gz AEDLDGYMBSTXSF-MAUKXSAKSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+](C)C1 ZINC000413897095 490506345 /nfs/dbraw/zinc/50/63/45/490506345.db2.gz AEDLDGYMBSTXSF-MAUKXSAKSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897095 490506349 /nfs/dbraw/zinc/50/63/49/490506349.db2.gz AEDLDGYMBSTXSF-MAUKXSAKSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897095 490506355 /nfs/dbraw/zinc/50/63/55/490506355.db2.gz AEDLDGYMBSTXSF-MAUKXSAKSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+](C)C1 ZINC000413897097 490506552 /nfs/dbraw/zinc/50/65/52/490506552.db2.gz AEDLDGYMBSTXSF-YJBOKZPZSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+](C)C1 ZINC000413897097 490506556 /nfs/dbraw/zinc/50/65/56/490506556.db2.gz AEDLDGYMBSTXSF-YJBOKZPZSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897097 490506560 /nfs/dbraw/zinc/50/65/60/490506560.db2.gz AEDLDGYMBSTXSF-YJBOKZPZSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897097 490506565 /nfs/dbraw/zinc/50/65/65/490506565.db2.gz AEDLDGYMBSTXSF-YJBOKZPZSA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C)C1 ZINC000413904799 490509769 /nfs/dbraw/zinc/50/97/69/490509769.db2.gz PYYAMWXQHWEJSA-HZPDHXFCSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C)C1 ZINC000413904799 490509773 /nfs/dbraw/zinc/50/97/73/490509773.db2.gz PYYAMWXQHWEJSA-HZPDHXFCSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904799 490509777 /nfs/dbraw/zinc/50/97/77/490509777.db2.gz PYYAMWXQHWEJSA-HZPDHXFCSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904799 490509783 /nfs/dbraw/zinc/50/97/83/490509783.db2.gz PYYAMWXQHWEJSA-HZPDHXFCSA-N 2 2 353.463 0.051 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000422998234 490515075 /nfs/dbraw/zinc/51/50/75/490515075.db2.gz WANDBXODTOHKHC-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423012708 490518535 /nfs/dbraw/zinc/51/85/35/490518535.db2.gz DPANFMAKHJVIAL-HUUCEWRRSA-N 2 2 364.515 0.978 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000423016302 490519444 /nfs/dbraw/zinc/51/94/44/490519444.db2.gz STIPWKKGQYWRER-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423021267 490520876 /nfs/dbraw/zinc/52/08/76/490520876.db2.gz DWMKESQZFGLCLD-FUHWJXTLSA-N 2 2 374.485 0.405 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000423025866 490522635 /nfs/dbraw/zinc/52/26/35/490522635.db2.gz PHPLDCQXAUWATQ-UHFFFAOYSA-N 2 2 374.485 0.420 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423029368 490524623 /nfs/dbraw/zinc/52/46/23/490524623.db2.gz UUWYCTWZRDZUCY-QGZVFWFLSA-N 2 2 374.485 0.420 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000423029177 490524718 /nfs/dbraw/zinc/52/47/18/490524718.db2.gz RVCUCOOOWYXDFR-SJLPKXTDSA-N 2 2 358.486 0.960 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000423029177 490524722 /nfs/dbraw/zinc/52/47/22/490524722.db2.gz RVCUCOOOWYXDFR-SJLPKXTDSA-N 2 2 358.486 0.960 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423030372 490524949 /nfs/dbraw/zinc/52/49/49/490524949.db2.gz BPUDPECHZMVCBO-IRXDYDNUSA-N 2 2 358.486 0.582 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000535994260 490545163 /nfs/dbraw/zinc/54/51/63/490545163.db2.gz QBPIYBVQEXESTE-CYBMUJFWSA-N 2 2 365.397 0.955 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000510884777 490546785 /nfs/dbraw/zinc/54/67/85/490546785.db2.gz SEUBZBOWLKMLPT-INIZCTEOSA-N 2 2 354.495 0.012 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000510884777 490546789 /nfs/dbraw/zinc/54/67/89/490546789.db2.gz SEUBZBOWLKMLPT-INIZCTEOSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000500752299 490548182 /nfs/dbraw/zinc/54/81/82/490548182.db2.gz PBEXEPHZDDKJNT-WBVHZDCISA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000500752299 490548185 /nfs/dbraw/zinc/54/81/85/490548185.db2.gz PBEXEPHZDDKJNT-WBVHZDCISA-N 2 2 368.522 0.545 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC000500762422 490549823 /nfs/dbraw/zinc/54/98/23/490549823.db2.gz GEXPSPRUGDBFJM-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC000500762422 490549825 /nfs/dbraw/zinc/54/98/25/490549825.db2.gz GEXPSPRUGDBFJM-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000500762422 490549829 /nfs/dbraw/zinc/54/98/29/490549829.db2.gz GEXPSPRUGDBFJM-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000500762422 490549833 /nfs/dbraw/zinc/54/98/33/490549833.db2.gz GEXPSPRUGDBFJM-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000536068994 490550130 /nfs/dbraw/zinc/55/01/30/490550130.db2.gz SERZOZYRQALIAO-GFCCVEGCSA-N 2 2 374.445 0.593 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000536068994 490550134 /nfs/dbraw/zinc/55/01/34/490550134.db2.gz SERZOZYRQALIAO-GFCCVEGCSA-N 2 2 374.445 0.593 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000485632547 490550656 /nfs/dbraw/zinc/55/06/56/490550656.db2.gz WYUSKJVQAHHTQD-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000485632547 490550659 /nfs/dbraw/zinc/55/06/59/490550659.db2.gz WYUSKJVQAHHTQD-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP C[N@H+](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCSC1 ZINC000536072369 490551448 /nfs/dbraw/zinc/55/14/48/490551448.db2.gz NVXPUSMQRWUYTF-GOEBONIOSA-N 2 2 359.561 0.748 20 0 FCADLP C[N@@H+](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCSC1 ZINC000536072369 490551452 /nfs/dbraw/zinc/55/14/52/490551452.db2.gz NVXPUSMQRWUYTF-GOEBONIOSA-N 2 2 359.561 0.748 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000500810822 490555897 /nfs/dbraw/zinc/55/58/97/490555897.db2.gz GSCCYHOYPHDGNZ-RHSMWYFYSA-N 2 2 362.478 0.771 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000524842795 490564479 /nfs/dbraw/zinc/56/44/79/490564479.db2.gz UWROWZDUVKQZJG-AWEZNQCLSA-N 2 2 350.467 0.206 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854843 490564575 /nfs/dbraw/zinc/56/45/75/490564575.db2.gz NCOZKXRBZTXAMZ-MAUKXSAKSA-N 2 2 374.485 0.885 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854843 490564579 /nfs/dbraw/zinc/56/45/79/490564579.db2.gz NCOZKXRBZTXAMZ-MAUKXSAKSA-N 2 2 374.485 0.885 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C(=O)OC)C1 ZINC000501053265 490574737 /nfs/dbraw/zinc/57/47/37/490574737.db2.gz SWULWYLAJDDMHY-SJORKVTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C(=O)OC)C1 ZINC000501053265 490574743 /nfs/dbraw/zinc/57/47/43/490574743.db2.gz SWULWYLAJDDMHY-SJORKVTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486014820 490584327 /nfs/dbraw/zinc/58/43/27/490584327.db2.gz HPISADSFJFKGLH-MRXNPFEDSA-N 2 2 361.442 0.635 20 0 FCADLP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486014820 490584334 /nfs/dbraw/zinc/58/43/34/490584334.db2.gz HPISADSFJFKGLH-MRXNPFEDSA-N 2 2 361.442 0.635 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(Nc3ncnc4c3C[N@H+](C)CC4)cn2)CC1 ZINC000511375402 490588063 /nfs/dbraw/zinc/58/80/63/490588063.db2.gz DNODSWQNWVVCML-UHFFFAOYSA-N 2 2 370.461 0.179 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(Nc3ncnc4c3C[N@@H+](C)CC4)cn2)CC1 ZINC000511375402 490588069 /nfs/dbraw/zinc/58/80/69/490588069.db2.gz DNODSWQNWVVCML-UHFFFAOYSA-N 2 2 370.461 0.179 20 0 FCADLP C[C@@]1(F)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@@](C)(F)C3)CC2)C1 ZINC000501421916 490602488 /nfs/dbraw/zinc/60/24/88/490602488.db2.gz BKXTWPCLKXMRPD-QZTJIDSGSA-N 2 2 372.460 0.525 20 0 FCADLP C[C@@]1(F)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(F)C3)CC2)C1 ZINC000501421916 490602490 /nfs/dbraw/zinc/60/24/90/490602490.db2.gz BKXTWPCLKXMRPD-QZTJIDSGSA-N 2 2 372.460 0.525 20 0 FCADLP CC[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000549770242 490603202 /nfs/dbraw/zinc/60/32/02/490603202.db2.gz SWZYOIAZARUXSB-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000549770242 490603207 /nfs/dbraw/zinc/60/32/07/490603207.db2.gz SWZYOIAZARUXSB-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511580303 490604590 /nfs/dbraw/zinc/60/45/90/490604590.db2.gz WVDOYRLLFGMHMJ-AEFFLSMTSA-N 2 2 358.486 0.787 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000511580303 490604593 /nfs/dbraw/zinc/60/45/93/490604593.db2.gz WVDOYRLLFGMHMJ-AEFFLSMTSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501496200 490607695 /nfs/dbraw/zinc/60/76/95/490607695.db2.gz LYVCOINXCPODRB-ZIAGYGMSSA-N 2 2 363.549 0.001 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000501496200 490607700 /nfs/dbraw/zinc/60/77/00/490607700.db2.gz LYVCOINXCPODRB-ZIAGYGMSSA-N 2 2 363.549 0.001 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000549999540 490618652 /nfs/dbraw/zinc/61/86/52/490618652.db2.gz AZGDGOJDUWJTSJ-CQSZACIVSA-N 2 2 368.503 0.258 20 0 FCADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083149 490624002 /nfs/dbraw/zinc/62/40/02/490624002.db2.gz URNKKCBWABVTRL-RDJZCZTQSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083149 490624005 /nfs/dbraw/zinc/62/40/05/490624005.db2.gz URNKKCBWABVTRL-RDJZCZTQSA-N 2 2 355.442 0.951 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536933440 490624340 /nfs/dbraw/zinc/62/43/40/490624340.db2.gz YSNRUORZCKZPCX-GJZGRUSLSA-N 2 2 370.494 0.422 20 0 FCADLP C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@@H+]1C ZINC000525707054 490625616 /nfs/dbraw/zinc/62/56/16/490625616.db2.gz JMYXIVNWDJWSDP-HUUCEWRRSA-N 2 2 367.519 0.912 20 0 FCADLP C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@H+]1C ZINC000525707054 490625622 /nfs/dbraw/zinc/62/56/22/490625622.db2.gz JMYXIVNWDJWSDP-HUUCEWRRSA-N 2 2 367.519 0.912 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443744 490626668 /nfs/dbraw/zinc/62/66/68/490626668.db2.gz UOMKAMHRECOEIJ-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443744 490626673 /nfs/dbraw/zinc/62/66/73/490626673.db2.gz UOMKAMHRECOEIJ-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486452504 490627608 /nfs/dbraw/zinc/62/76/08/490627608.db2.gz PTTVXBZIHNAOLX-HUUCEWRRSA-N 2 2 364.515 0.692 20 0 FCADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486452504 490627614 /nfs/dbraw/zinc/62/76/14/490627614.db2.gz PTTVXBZIHNAOLX-HUUCEWRRSA-N 2 2 364.515 0.692 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448872 490627823 /nfs/dbraw/zinc/62/78/23/490627823.db2.gz SJQGXUABRVJXMQ-GOEBONIOSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448872 490627830 /nfs/dbraw/zinc/62/78/30/490627830.db2.gz SJQGXUABRVJXMQ-GOEBONIOSA-N 2 2 362.449 0.727 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486458589 490631174 /nfs/dbraw/zinc/63/11/74/490631174.db2.gz IYVOQSBBUKZIIA-PKOBYXMFSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486458589 490631183 /nfs/dbraw/zinc/63/11/83/490631183.db2.gz IYVOQSBBUKZIIA-PKOBYXMFSA-N 2 2 372.513 0.938 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000536994204 490632174 /nfs/dbraw/zinc/63/21/74/490632174.db2.gz HGUVDHDUIZKCEE-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000536994204 490632179 /nfs/dbraw/zinc/63/21/79/490632179.db2.gz HGUVDHDUIZKCEE-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486462336 490632624 /nfs/dbraw/zinc/63/26/24/490632624.db2.gz QOQKVEFXGHMMPT-INIZCTEOSA-N 2 2 373.457 0.621 20 0 FCADLP O=C(CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486462336 490632632 /nfs/dbraw/zinc/63/26/32/490632632.db2.gz QOQKVEFXGHMMPT-INIZCTEOSA-N 2 2 373.457 0.621 20 0 FCADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460729 490633138 /nfs/dbraw/zinc/63/31/38/490633138.db2.gz BBERXJAHLBKBBJ-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460729 490633142 /nfs/dbraw/zinc/63/31/42/490633142.db2.gz BBERXJAHLBKBBJ-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460823 490633818 /nfs/dbraw/zinc/63/38/18/490633818.db2.gz BGSRMDCZRDMNIZ-CVEARBPZSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460823 490633823 /nfs/dbraw/zinc/63/38/23/490633823.db2.gz BGSRMDCZRDMNIZ-CVEARBPZSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468412 490634535 /nfs/dbraw/zinc/63/45/35/490634535.db2.gz KRTHLTGWCAGLLB-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468412 490634538 /nfs/dbraw/zinc/63/45/38/490634538.db2.gz KRTHLTGWCAGLLB-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)nc12 ZINC000486464641 490634637 /nfs/dbraw/zinc/63/46/37/490634637.db2.gz GLEJUYGHWCOEKY-MRXNPFEDSA-N 2 2 355.442 0.399 20 0 FCADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)nc12 ZINC000486464641 490634641 /nfs/dbraw/zinc/63/46/41/490634641.db2.gz GLEJUYGHWCOEKY-MRXNPFEDSA-N 2 2 355.442 0.399 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486463005 490635024 /nfs/dbraw/zinc/63/50/24/490635024.db2.gz RFKXRLUKFWWXRK-RDJZCZTQSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486463005 490635030 /nfs/dbraw/zinc/63/50/30/490635030.db2.gz RFKXRLUKFWWXRK-RDJZCZTQSA-N 2 2 356.470 0.860 20 0 FCADLP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000486469892 490636222 /nfs/dbraw/zinc/63/62/22/490636222.db2.gz ONRWPRRKUQWMAA-AWEZNQCLSA-N 2 2 364.515 0.823 20 0 FCADLP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000486469892 490636231 /nfs/dbraw/zinc/63/62/31/490636231.db2.gz ONRWPRRKUQWMAA-AWEZNQCLSA-N 2 2 364.515 0.823 20 0 FCADLP CC[C@@H](c1nnc(SCC(=O)OC)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000501722668 490637042 /nfs/dbraw/zinc/63/70/42/490637042.db2.gz VWXBSLAYFCTKMB-ZDUSSCGKSA-N 2 2 371.507 0.888 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2n1C ZINC000525882480 490645319 /nfs/dbraw/zinc/64/53/19/490645319.db2.gz PSASPEKJJVAJAJ-UHFFFAOYSA-N 3 2 374.489 0.772 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000550358558 490663572 /nfs/dbraw/zinc/66/35/72/490663572.db2.gz UZHHDKMCJGRZOP-INIZCTEOSA-N 2 2 356.511 0.260 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000550469721 490672610 /nfs/dbraw/zinc/67/26/10/490672610.db2.gz SDZWYWYOGLEVQK-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550469100 490672643 /nfs/dbraw/zinc/67/26/43/490672643.db2.gz DFBAQAVBRNGZHK-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550469100 490672645 /nfs/dbraw/zinc/67/26/45/490672645.db2.gz DFBAQAVBRNGZHK-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC000512494977 490684609 /nfs/dbraw/zinc/68/46/09/490684609.db2.gz LMWORLRFYDUXGM-MRXNPFEDSA-N 2 2 364.490 0.871 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC000512494977 490684612 /nfs/dbraw/zinc/68/46/12/490684612.db2.gz LMWORLRFYDUXGM-MRXNPFEDSA-N 2 2 364.490 0.871 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC000512494976 490685038 /nfs/dbraw/zinc/68/50/38/490685038.db2.gz LMWORLRFYDUXGM-INIZCTEOSA-N 2 2 364.490 0.871 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC000512494976 490685040 /nfs/dbraw/zinc/68/50/40/490685040.db2.gz LMWORLRFYDUXGM-INIZCTEOSA-N 2 2 364.490 0.871 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502515103 490707610 /nfs/dbraw/zinc/70/76/10/490707610.db2.gz AMYPQFZVGBWCHK-SJORKVTESA-N 2 2 369.506 0.972 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502515103 490707611 /nfs/dbraw/zinc/70/76/11/490707611.db2.gz AMYPQFZVGBWCHK-SJORKVTESA-N 2 2 369.506 0.972 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000538118926 490713879 /nfs/dbraw/zinc/71/38/79/490713879.db2.gz OMMAMWXVRNVCJR-UHFFFAOYSA-N 2 2 369.554 0.317 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538118926 490713883 /nfs/dbraw/zinc/71/38/83/490713883.db2.gz OMMAMWXVRNVCJR-UHFFFAOYSA-N 2 2 369.554 0.317 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538118926 490713886 /nfs/dbraw/zinc/71/38/86/490713886.db2.gz OMMAMWXVRNVCJR-UHFFFAOYSA-N 2 2 369.554 0.317 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000538118926 490713889 /nfs/dbraw/zinc/71/38/89/490713889.db2.gz OMMAMWXVRNVCJR-UHFFFAOYSA-N 2 2 369.554 0.317 20 0 FCADLP O=S(=O)(CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)NC1CC1 ZINC000502744587 490719136 /nfs/dbraw/zinc/71/91/36/490719136.db2.gz QMZLNGFWXADEJY-UHFFFAOYSA-N 2 2 359.415 0.704 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513463359 490731411 /nfs/dbraw/zinc/73/14/11/490731411.db2.gz LUXNGGFPRTZSRT-HNNXBMFYSA-N 2 2 370.538 0.648 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513463359 490731414 /nfs/dbraw/zinc/73/14/14/490731414.db2.gz LUXNGGFPRTZSRT-HNNXBMFYSA-N 2 2 370.538 0.648 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005279 490741010 /nfs/dbraw/zinc/74/10/10/490741010.db2.gz CMKNXMZIUDWCCZ-ZWKOTPCHSA-N 2 2 368.547 0.932 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005279 490741013 /nfs/dbraw/zinc/74/10/13/490741013.db2.gz CMKNXMZIUDWCCZ-ZWKOTPCHSA-N 2 2 368.547 0.932 20 0 FCADLP CCOCCOC1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000538632116 490741509 /nfs/dbraw/zinc/74/15/09/490741509.db2.gz AXVAWMDJBVZPPJ-UHFFFAOYSA-N 2 2 368.522 0.992 20 0 FCADLP C[N@@H+]1CC=C(c2ccc(S(=O)(=O)N3CC[NH+](CCO)CC3)cc2)CC1 ZINC000527588280 490748265 /nfs/dbraw/zinc/74/82/65/490748265.db2.gz PXMHSQHMQJVLRH-UHFFFAOYSA-N 2 2 365.499 0.704 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000503312475 490750790 /nfs/dbraw/zinc/75/07/90/490750790.db2.gz MIDJIWXNVIYIPZ-UHFFFAOYSA-N 2 2 370.457 0.754 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000503356377 490752429 /nfs/dbraw/zinc/75/24/29/490752429.db2.gz FTPTUMGGZHJLEO-MRXNPFEDSA-N 2 2 368.478 0.128 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)CC1 ZINC000538961715 490758970 /nfs/dbraw/zinc/75/89/70/490758970.db2.gz YWKJSFUZIIPGAM-UHFFFAOYSA-N 2 2 360.458 0.817 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CC(F)(F)C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000565488063 491380101 /nfs/dbraw/zinc/38/01/01/491380101.db2.gz NFBWHHWYKIWFHB-LBPRGKRZSA-N 2 2 355.451 0.328 20 0 FCADLP COc1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1S(N)(=O)=O ZINC000539065884 490763126 /nfs/dbraw/zinc/76/31/26/490763126.db2.gz KXJHCZKSQWLGQO-IUODEOHRSA-N 2 2 353.488 0.957 20 0 FCADLP COc1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1S(N)(=O)=O ZINC000539065884 490763128 /nfs/dbraw/zinc/76/31/28/490763128.db2.gz KXJHCZKSQWLGQO-IUODEOHRSA-N 2 2 353.488 0.957 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000539320707 490776653 /nfs/dbraw/zinc/77/66/53/490776653.db2.gz WEENUPTYXQZOFG-JKSUJKDBSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000565123494 491354738 /nfs/dbraw/zinc/35/47/38/491354738.db2.gz VSEVVHOIZLMYKK-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000565123494 491354739 /nfs/dbraw/zinc/35/47/39/491354739.db2.gz VSEVVHOIZLMYKK-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671718 490780440 /nfs/dbraw/zinc/78/04/40/490780440.db2.gz APCODHDWRQWSEI-WBVHZDCISA-N 2 2 351.491 0.844 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671718 490780447 /nfs/dbraw/zinc/78/04/47/490780447.db2.gz APCODHDWRQWSEI-WBVHZDCISA-N 2 2 351.491 0.844 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1)C1CC1 ZINC000488920147 490781882 /nfs/dbraw/zinc/78/18/82/490781882.db2.gz PRYWUMDUBYVNCG-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1)C1CC1 ZINC000488920147 490781885 /nfs/dbraw/zinc/78/18/85/490781885.db2.gz PRYWUMDUBYVNCG-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP [NH3+]CCc1ccccc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000514736326 490784987 /nfs/dbraw/zinc/78/49/87/490784987.db2.gz GJBVDOKXNAPHJD-UHFFFAOYSA-N 2 2 358.486 0.862 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cnc(N3CCCC3)nc2)CN1CC[NH+]1CCOCC1 ZINC000539703733 490792575 /nfs/dbraw/zinc/79/25/75/490792575.db2.gz ZIHCAUJGMIQOAZ-QGZVFWFLSA-N 2 2 374.489 0.100 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000557140727 491356456 /nfs/dbraw/zinc/35/64/56/491356456.db2.gz QWFBTBNECQEDFU-AEFFLSMTSA-N 2 2 374.485 0.901 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000514903015 490797066 /nfs/dbraw/zinc/79/70/66/490797066.db2.gz HSBZOQCLKGSRDY-SJORKVTESA-N 2 2 365.522 0.617 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000514903015 490797070 /nfs/dbraw/zinc/79/70/70/490797070.db2.gz HSBZOQCLKGSRDY-SJORKVTESA-N 2 2 365.522 0.617 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000557152813 491356921 /nfs/dbraw/zinc/35/69/21/491356921.db2.gz MVSGVVCEFAYFLC-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000557152813 491356922 /nfs/dbraw/zinc/35/69/22/491356922.db2.gz MVSGVVCEFAYFLC-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000557152813 491356924 /nfs/dbraw/zinc/35/69/24/491356924.db2.gz MVSGVVCEFAYFLC-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000557152813 491356926 /nfs/dbraw/zinc/35/69/26/491356926.db2.gz MVSGVVCEFAYFLC-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000540406130 490821049 /nfs/dbraw/zinc/82/10/49/490821049.db2.gz BWJRRHYJFVLVTK-HNNXBMFYSA-N 2 2 367.515 0.987 20 0 FCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000515615090 490833260 /nfs/dbraw/zinc/83/32/60/490833260.db2.gz MOPHFWFAWASPAP-KWOWKCNFSA-N 2 2 362.478 0.853 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](c3[nH+]ccn3C)C1)CC[NH2+]CC2 ZINC000515637699 490834155 /nfs/dbraw/zinc/83/41/55/490834155.db2.gz SLFRRUAQTZRFJU-GJZGRUSLSA-N 2 2 359.474 0.727 20 0 FCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000557241472 491361186 /nfs/dbraw/zinc/36/11/86/491361186.db2.gz FMYSCCSTKCFMMV-CTASWTNQSA-N 2 2 350.488 0.981 20 0 FCADLP C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000529309418 490849846 /nfs/dbraw/zinc/84/98/46/490849846.db2.gz VZGGUVYSAXEFTE-XYJFISCASA-N 2 2 368.522 0.896 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000516099374 490850728 /nfs/dbraw/zinc/85/07/28/490850728.db2.gz IBWUVUJXKVLGEM-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[NH+]1CCSCC1 ZINC000516109452 490851621 /nfs/dbraw/zinc/85/16/21/490851621.db2.gz HUDPIVAHESMUKR-ZFWWWQNUSA-N 2 2 354.520 0.235 20 0 FCADLP C[NH+]1CCC(Nc2nc(NC3CC[NH+](C)CC3)c3c([nH+]2)CCS3)CC1 ZINC000516170315 490853917 /nfs/dbraw/zinc/85/39/17/490853917.db2.gz KFPLJSFWXCFTAX-UHFFFAOYSA-N 3 2 362.547 0.981 20 0 FCADLP COCCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000516185774 490855100 /nfs/dbraw/zinc/85/51/00/490855100.db2.gz MHGDSUZKUMBQRG-INIZCTEOSA-N 2 2 367.519 0.622 20 0 FCADLP COCCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000516185774 490855102 /nfs/dbraw/zinc/85/51/02/490855102.db2.gz MHGDSUZKUMBQRG-INIZCTEOSA-N 2 2 367.519 0.622 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCN(C)CC1 ZINC000541750279 490871102 /nfs/dbraw/zinc/87/11/02/490871102.db2.gz FDXXXPGPEWQGQG-SFHVURJKSA-N 2 2 365.566 0.498 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000529751568 490872885 /nfs/dbraw/zinc/87/28/85/490872885.db2.gz KYYJXCIZWPDHIZ-IBGZPJMESA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000529751568 490872889 /nfs/dbraw/zinc/87/28/89/490872889.db2.gz KYYJXCIZWPDHIZ-IBGZPJMESA-N 2 2 353.507 0.839 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660096 490873670 /nfs/dbraw/zinc/87/36/70/490873670.db2.gz KSVYRHAJXLQSSD-HOCLYGCPSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660096 490873673 /nfs/dbraw/zinc/87/36/73/490873673.db2.gz KSVYRHAJXLQSSD-HOCLYGCPSA-N 2 2 373.519 0.527 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000541894067 490876572 /nfs/dbraw/zinc/87/65/72/490876572.db2.gz QDNORZRIMSUADK-MRXNPFEDSA-N 2 2 365.522 0.832 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000541894067 490876573 /nfs/dbraw/zinc/87/65/73/490876573.db2.gz QDNORZRIMSUADK-MRXNPFEDSA-N 2 2 365.522 0.832 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000516986385 490889306 /nfs/dbraw/zinc/88/93/06/490889306.db2.gz HFCZVWKMAZIWRE-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000516986385 490889308 /nfs/dbraw/zinc/88/93/08/490889308.db2.gz HFCZVWKMAZIWRE-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000542594632 490901185 /nfs/dbraw/zinc/90/11/85/490901185.db2.gz GDNGPGUJQCKABT-QUCCMNQESA-N 2 2 373.545 0.727 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530538904 490911363 /nfs/dbraw/zinc/91/13/63/490911363.db2.gz LVDSUIXGLMUHRZ-UHFFFAOYSA-N 2 2 352.464 0.504 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)n2C ZINC000565291644 491367972 /nfs/dbraw/zinc/36/79/72/491367972.db2.gz UZWMTLQPHNFTMX-CYBMUJFWSA-N 2 2 360.462 0.611 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881158 490923294 /nfs/dbraw/zinc/92/32/94/490923294.db2.gz ZOGKEQMHNJSBAF-PKOBYXMFSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881158 490923296 /nfs/dbraw/zinc/92/32/96/490923296.db2.gz ZOGKEQMHNJSBAF-PKOBYXMFSA-N 2 2 360.502 0.812 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531053312 490938304 /nfs/dbraw/zinc/93/83/04/490938304.db2.gz PEVVNUXRVIYLEM-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531053312 490938306 /nfs/dbraw/zinc/93/83/06/490938306.db2.gz PEVVNUXRVIYLEM-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531053312 490938307 /nfs/dbraw/zinc/93/83/07/490938307.db2.gz PEVVNUXRVIYLEM-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531053312 490938309 /nfs/dbraw/zinc/93/83/09/490938309.db2.gz PEVVNUXRVIYLEM-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC000531295626 490950814 /nfs/dbraw/zinc/95/08/14/490950814.db2.gz AYYRFCAHBMEKII-KRWDZBQOSA-N 2 2 373.457 0.707 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC000531295626 490950816 /nfs/dbraw/zinc/95/08/16/490950816.db2.gz AYYRFCAHBMEKII-KRWDZBQOSA-N 2 2 373.457 0.707 20 0 FCADLP Cc1cc(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(C)s1 ZINC000518771557 490950976 /nfs/dbraw/zinc/95/09/76/490950976.db2.gz XGDCYGARTRWNJX-UHFFFAOYSA-N 2 2 372.560 0.576 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378614 490954882 /nfs/dbraw/zinc/95/48/82/490954882.db2.gz HBLSUZIZPLPIDJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378614 490954884 /nfs/dbraw/zinc/95/48/84/490954884.db2.gz HBLSUZIZPLPIDJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378614 490954885 /nfs/dbraw/zinc/95/48/85/490954885.db2.gz HBLSUZIZPLPIDJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H]1C ZINC000531378614 490954888 /nfs/dbraw/zinc/95/48/88/490954888.db2.gz HBLSUZIZPLPIDJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000572383114 491366732 /nfs/dbraw/zinc/36/67/32/491366732.db2.gz UQXSDIMHQQXDDJ-RDJZCZTQSA-N 2 2 362.474 0.242 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000572383114 491366733 /nfs/dbraw/zinc/36/67/33/491366733.db2.gz UQXSDIMHQQXDDJ-RDJZCZTQSA-N 2 2 362.474 0.242 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[NH+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000519284268 490967566 /nfs/dbraw/zinc/96/75/66/490967566.db2.gz NGXPMLCBHDYPDT-NUJGCVRESA-N 2 2 351.495 0.008 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3(C(N)=O)CC3)CC2)cc1 ZINC000544446854 490969087 /nfs/dbraw/zinc/96/90/87/490969087.db2.gz WXTSTHVVYKDBSZ-UHFFFAOYSA-N 2 2 360.458 0.337 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C3(C(N)=O)CC3)CC2)cc1 ZINC000544446854 490969089 /nfs/dbraw/zinc/96/90/89/490969089.db2.gz WXTSTHVVYKDBSZ-UHFFFAOYSA-N 2 2 360.458 0.337 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000544688911 490976394 /nfs/dbraw/zinc/97/63/94/490976394.db2.gz MBLJNNZMKJGMBH-UHFFFAOYSA-N 2 2 352.483 0.595 20 0 FCADLP CSC1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH+](C)CC1 ZINC000595634332 491946006 /nfs/dbraw/zinc/94/60/06/491946006.db2.gz IJTFWSUWGZVETK-OAHLLOKOSA-N 2 2 356.536 0.930 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166133 /nfs/dbraw/zinc/16/61/33/491166133.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166134 /nfs/dbraw/zinc/16/61/34/491166134.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166135 /nfs/dbraw/zinc/16/61/35/491166135.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562442364 491166136 /nfs/dbraw/zinc/16/61/36/491166136.db2.gz PUGCEZOGPBWIFA-ZIFCJYIRSA-N 3 2 357.539 0.747 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000668347817 493335277 /nfs/dbraw/zinc/33/52/77/493335277.db2.gz FXRDKENFVHBLFC-MRXNPFEDSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000660231348 493336153 /nfs/dbraw/zinc/33/61/53/493336153.db2.gz AYENVLBAODFCOP-DLBZAZTESA-N 2 2 360.520 0.623 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569743582 491187837 /nfs/dbraw/zinc/18/78/37/491187837.db2.gz AEWKBGGSPSAMMG-GOEBONIOSA-N 2 2 363.462 0.195 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569743582 491187839 /nfs/dbraw/zinc/18/78/39/491187839.db2.gz AEWKBGGSPSAMMG-GOEBONIOSA-N 2 2 363.462 0.195 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CCN2C1=O ZINC000572499168 491374347 /nfs/dbraw/zinc/37/43/47/491374347.db2.gz ZNAROFLKNUHZBI-GJZGRUSLSA-N 2 2 358.446 0.135 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557430974 491374547 /nfs/dbraw/zinc/37/45/47/491374547.db2.gz LFZOKFZKAMMFQK-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557430974 491374549 /nfs/dbraw/zinc/37/45/49/491374549.db2.gz LFZOKFZKAMMFQK-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP CCNc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439165 491377101 /nfs/dbraw/zinc/37/71/01/491377101.db2.gz FAQPSMFDLBODBG-QWHCGFSZSA-N 2 2 351.499 0.827 20 0 FCADLP CCNc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439165 491377102 /nfs/dbraw/zinc/37/71/02/491377102.db2.gz FAQPSMFDLBODBG-QWHCGFSZSA-N 2 2 351.499 0.827 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000668351608 493338569 /nfs/dbraw/zinc/33/85/69/493338569.db2.gz ITOQSDYGTRTCJO-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc(N)[nH+]1 ZINC000557627580 491388391 /nfs/dbraw/zinc/38/83/91/491388391.db2.gz YHBURNBYEBPWPE-CQSZACIVSA-N 2 2 361.494 1.014 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc(N)[nH+]1 ZINC000557627580 491388394 /nfs/dbraw/zinc/38/83/94/491388394.db2.gz YHBURNBYEBPWPE-CQSZACIVSA-N 2 2 361.494 1.014 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]c(N)n1 ZINC000557627580 491388397 /nfs/dbraw/zinc/38/83/97/491388397.db2.gz YHBURNBYEBPWPE-CQSZACIVSA-N 2 2 361.494 1.014 20 0 FCADLP CCCCNc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]c(N)n1 ZINC000557627580 491388400 /nfs/dbraw/zinc/38/84/00/491388400.db2.gz YHBURNBYEBPWPE-CQSZACIVSA-N 2 2 361.494 1.014 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000660281354 493339424 /nfs/dbraw/zinc/33/94/24/493339424.db2.gz XRIOPDTZOSFLPQ-LSDHHAIUSA-N 2 2 362.478 0.023 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000660281354 493339427 /nfs/dbraw/zinc/33/94/27/493339427.db2.gz XRIOPDTZOSFLPQ-LSDHHAIUSA-N 2 2 362.478 0.023 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000557705662 491392232 /nfs/dbraw/zinc/39/22/32/491392232.db2.gz QEYPNKVGAFBDLZ-HZPDHXFCSA-N 2 2 356.511 0.258 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000668360712 493340568 /nfs/dbraw/zinc/34/05/68/493340568.db2.gz GNIPLXVGMZGBIN-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@]3(C)CCCO3)CC2)CC1 ZINC000565849321 491403300 /nfs/dbraw/zinc/40/33/00/491403300.db2.gz AEKDQGTUFSJGKZ-LJQANCHMSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000572952666 491403656 /nfs/dbraw/zinc/40/36/56/491403656.db2.gz CKOBFYLROBOTNG-OWCLPIDISA-N 2 2 351.495 0.607 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000572952666 491403659 /nfs/dbraw/zinc/40/36/59/491403659.db2.gz CKOBFYLROBOTNG-OWCLPIDISA-N 2 2 351.495 0.607 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2nnc3n2CCCCC3)C[C@@H](C)O1 ZINC000572952664 491403776 /nfs/dbraw/zinc/40/37/76/491403776.db2.gz CKOBFYLROBOTNG-BZUAXINKSA-N 2 2 351.495 0.607 20 0 FCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000565890896 491405616 /nfs/dbraw/zinc/40/56/16/491405616.db2.gz XTBDZFVTKRBZLO-WBVHZDCISA-N 2 2 350.507 0.825 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]21 ZINC000565892800 491405739 /nfs/dbraw/zinc/40/57/39/491405739.db2.gz SQDLTYPFELXWMO-UXIGCNINSA-N 2 2 359.409 0.799 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]21 ZINC000565892800 491405740 /nfs/dbraw/zinc/40/57/40/491405740.db2.gz SQDLTYPFELXWMO-UXIGCNINSA-N 2 2 359.409 0.799 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000572990499 491406080 /nfs/dbraw/zinc/40/60/80/491406080.db2.gz CGXANMPRIDOUGI-WJFTUGDTSA-N 3 2 364.534 0.820 20 0 FCADLP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000573004375 491406668 /nfs/dbraw/zinc/40/66/68/491406668.db2.gz ZEKRCQMLJYHLJJ-DLBZAZTESA-N 2 2 372.469 0.084 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1S(N)(=O)=O ZINC000573001350 491406886 /nfs/dbraw/zinc/40/68/86/491406886.db2.gz NCOQKRUXTFJJGM-AEGPPILISA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1S(N)(=O)=O ZINC000573001350 491406887 /nfs/dbraw/zinc/40/68/87/491406887.db2.gz NCOQKRUXTFJJGM-AEGPPILISA-N 2 2 366.487 0.640 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CCN2C1=O ZINC000573023114 491408010 /nfs/dbraw/zinc/40/80/10/491408010.db2.gz YBGKWVPDDQSBMJ-SJORKVTESA-N 2 2 368.441 0.385 20 0 FCADLP C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H]1C ZINC000573075273 491410489 /nfs/dbraw/zinc/41/04/89/491410489.db2.gz UIONKRGDZUIQCU-KFWWJZLASA-N 2 2 371.489 0.988 20 0 FCADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCOCC2)cc1 ZINC000573073205 491410855 /nfs/dbraw/zinc/41/08/55/491410855.db2.gz YJRNGZHDEGSXSO-MSOLQXFVSA-N 2 2 362.474 0.656 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000565996272 491410953 /nfs/dbraw/zinc/41/09/53/491410953.db2.gz QIBZWCVNUFMSND-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000565996272 491410956 /nfs/dbraw/zinc/41/09/56/491410956.db2.gz QIBZWCVNUFMSND-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000566016875 491412948 /nfs/dbraw/zinc/41/29/48/491412948.db2.gz FSFXTDXYRHHNML-INIZCTEOSA-N 2 2 374.485 0.193 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000566128331 491419420 /nfs/dbraw/zinc/41/94/20/491419420.db2.gz AHYJPSDFUQKCGH-SCRDCRAPSA-N 2 2 361.284 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCn2cc(Br)cn2)C[C@H](C)O1 ZINC000566128331 491419423 /nfs/dbraw/zinc/41/94/23/491419423.db2.gz AHYJPSDFUQKCGH-SCRDCRAPSA-N 2 2 361.284 0.705 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000566157411 491421347 /nfs/dbraw/zinc/42/13/47/491421347.db2.gz FUVLQWCEHSEXLC-UHFFFAOYSA-N 2 2 358.486 0.585 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000566157411 491421350 /nfs/dbraw/zinc/42/13/50/491421350.db2.gz FUVLQWCEHSEXLC-UHFFFAOYSA-N 2 2 358.486 0.585 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)c3cn(CCC[NH3+])nn3)c[nH+]2)CCO1 ZINC000566166872 491421901 /nfs/dbraw/zinc/42/19/01/491421901.db2.gz GVRBHRWXRKGPCF-CYBMUJFWSA-N 2 2 359.434 0.177 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000558308672 491424792 /nfs/dbraw/zinc/42/47/92/491424792.db2.gz ZUJNPQLGOYQNOQ-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573309388 491425388 /nfs/dbraw/zinc/42/53/88/491425388.db2.gz KXOCTZFTQFADKC-ULQDDVLXSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573322819 491426256 /nfs/dbraw/zinc/42/62/56/491426256.db2.gz DCKQEBPPYVXTCE-YJBOKZPZSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573322819 491426259 /nfs/dbraw/zinc/42/62/59/491426259.db2.gz DCKQEBPPYVXTCE-YJBOKZPZSA-N 2 2 354.495 0.188 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000566244160 491430131 /nfs/dbraw/zinc/43/01/31/491430131.db2.gz CWFOLWVCIRXCJG-UAGQMJEPSA-N 2 2 365.499 0.766 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000566244160 491430132 /nfs/dbraw/zinc/43/01/32/491430132.db2.gz CWFOLWVCIRXCJG-UAGQMJEPSA-N 2 2 365.499 0.766 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000566303668 491434057 /nfs/dbraw/zinc/43/40/57/491434057.db2.gz FDMGXHSLZIDGNS-OALUTQOASA-N 2 2 372.513 0.881 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000573583238 491442262 /nfs/dbraw/zinc/44/22/62/491442262.db2.gz XGOYNJSBMWRQER-OAHLLOKOSA-N 2 2 360.462 0.172 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573786083 491454775 /nfs/dbraw/zinc/45/47/75/491454775.db2.gz WXSHXXHISPAJDF-BFYDXBDKSA-N 2 2 354.520 0.445 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000573798668 491455573 /nfs/dbraw/zinc/45/55/73/491455573.db2.gz ZYTAOPXWELUCAP-HNNXBMFYSA-N 2 2 350.488 0.651 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000566667885 491459154 /nfs/dbraw/zinc/45/91/54/491459154.db2.gz RVJLWORMUKDVOC-CABCVRRESA-N 2 2 367.519 0.406 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000566667885 491459155 /nfs/dbraw/zinc/45/91/55/491459155.db2.gz RVJLWORMUKDVOC-CABCVRRESA-N 2 2 367.519 0.406 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000566668183 491459321 /nfs/dbraw/zinc/45/93/21/491459321.db2.gz APXLDTPQTFIYTD-HUUCEWRRSA-N 2 2 354.495 0.380 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000573902808 491461763 /nfs/dbraw/zinc/46/17/63/491461763.db2.gz QELFPFNZWUYPCS-CQSZACIVSA-N 2 2 360.462 0.733 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000573920526 491462897 /nfs/dbraw/zinc/46/28/97/491462897.db2.gz PYESWMPWNHDQJR-GJZGRUSLSA-N 2 2 361.490 0.615 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000559348058 491466680 /nfs/dbraw/zinc/46/66/80/491466680.db2.gz ZNPDFMVCWUDBRI-INIZCTEOSA-N 2 2 373.457 0.817 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000574023728 491469676 /nfs/dbraw/zinc/46/96/76/491469676.db2.gz MNVLAOAKRIZLQR-QZTJIDSGSA-N 2 2 362.474 0.737 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CCCC1 ZINC000559390741 491470133 /nfs/dbraw/zinc/47/01/33/491470133.db2.gz DQAVXQPZSMWFHO-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CCCC1 ZINC000559390741 491470135 /nfs/dbraw/zinc/47/01/35/491470135.db2.gz DQAVXQPZSMWFHO-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000574036515 491470485 /nfs/dbraw/zinc/47/04/85/491470485.db2.gz TUTURADAHDXNRA-WBVHZDCISA-N 2 2 369.473 0.944 20 0 FCADLP C[C@H](NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000574149192 491477296 /nfs/dbraw/zinc/47/72/96/491477296.db2.gz QIQZZNNKYYVIEN-DOTOQJQBSA-N 2 2 366.531 0.853 20 0 FCADLP COCCn1cc2c(n1)[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000566969946 491478032 /nfs/dbraw/zinc/47/80/32/491478032.db2.gz SYUZUZGQBFJZRK-DLBZAZTESA-N 2 2 351.495 0.105 20 0 FCADLP COCCn1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000566969949 491478108 /nfs/dbraw/zinc/47/81/08/491478108.db2.gz SYUZUZGQBFJZRK-SJORKVTESA-N 2 2 351.495 0.105 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000559550965 491480349 /nfs/dbraw/zinc/48/03/49/491480349.db2.gz BYPJAEUSTRRMGF-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000559550965 491480350 /nfs/dbraw/zinc/48/03/50/491480350.db2.gz BYPJAEUSTRRMGF-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000559563433 491481621 /nfs/dbraw/zinc/48/16/21/491481621.db2.gz MHKCQHQEPGJGCI-INIZCTEOSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559562221 491481716 /nfs/dbraw/zinc/48/17/16/491481716.db2.gz PULPKOKWBMINSR-INIZCTEOSA-N 2 2 355.442 0.690 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000559615946 491486789 /nfs/dbraw/zinc/48/67/89/491486789.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000559615946 491486791 /nfs/dbraw/zinc/48/67/91/491486791.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(c2nc(NC(C)C)nc(NCCO)[nH+]2)C1 ZINC000559615946 491486793 /nfs/dbraw/zinc/48/67/93/491486793.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(c2nc(NC(C)C)nc(NCCO)[nH+]2)C1 ZINC000559615946 491486794 /nfs/dbraw/zinc/48/67/94/491486794.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(c2nc(NCCO)nc(NC(C)C)[nH+]2)C1 ZINC000559615946 491486796 /nfs/dbraw/zinc/48/67/96/491486796.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 2 2 351.499 0.108 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(c2nc(NCCO)nc(NC(C)C)[nH+]2)C1 ZINC000559615946 491486798 /nfs/dbraw/zinc/48/67/98/491486798.db2.gz CTRLMABMEOSFFV-CQSZACIVSA-N 2 2 351.499 0.108 20 0 FCADLP CCOc1ccccc1C(=O)NCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567165134 491489379 /nfs/dbraw/zinc/48/93/79/491489379.db2.gz OPYFIARUUIKUTA-OAHLLOKOSA-N 2 2 362.474 0.697 20 0 FCADLP CN(C(=O)CCC(C)(C)O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000567209745 491492219 /nfs/dbraw/zinc/49/22/19/491492219.db2.gz KZLDSLZTASBICJ-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000567223024 491492852 /nfs/dbraw/zinc/49/28/52/491492852.db2.gz SFVBUIZEVMBDEP-PNBKFKSVSA-N 2 2 363.506 0.369 20 0 FCADLP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000574404122 491493845 /nfs/dbraw/zinc/49/38/45/491493845.db2.gz LEOGUOMMRBUZLU-ROUUACIJSA-N 2 2 358.486 0.999 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)no1 ZINC000567270533 491496218 /nfs/dbraw/zinc/49/62/18/491496218.db2.gz CQWMIEKQHFKPFP-SJORKVTESA-N 2 2 358.442 1.537 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)no1 ZINC000567270533 491496220 /nfs/dbraw/zinc/49/62/20/491496220.db2.gz CQWMIEKQHFKPFP-SJORKVTESA-N 2 2 358.442 1.537 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000574450269 491497743 /nfs/dbraw/zinc/49/77/43/491497743.db2.gz KMMBSFRTUWVCEV-QWHCGFSZSA-N 2 2 362.478 0.708 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCOC(F)F ZINC000567313060 491498802 /nfs/dbraw/zinc/49/88/02/491498802.db2.gz MMFDWYLEEPUFDT-UHFFFAOYSA-N 2 2 364.437 0.216 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCOC(F)F ZINC000567313060 491498805 /nfs/dbraw/zinc/49/88/05/491498805.db2.gz MMFDWYLEEPUFDT-UHFFFAOYSA-N 2 2 364.437 0.216 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCO1 ZINC000559854289 491505176 /nfs/dbraw/zinc/50/51/76/491505176.db2.gz SPJZRLRLPGPBFB-OAHLLOKOSA-N 2 2 359.430 0.808 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCO1 ZINC000559854289 491505177 /nfs/dbraw/zinc/50/51/77/491505177.db2.gz SPJZRLRLPGPBFB-OAHLLOKOSA-N 2 2 359.430 0.808 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574563169 491505356 /nfs/dbraw/zinc/50/53/56/491505356.db2.gz POULBMMXTMYPNY-HNNXBMFYSA-N 2 2 350.488 0.732 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000567488548 491509417 /nfs/dbraw/zinc/50/94/17/491509417.db2.gz WIIHBKKFMQHYME-UHFFFAOYSA-N 2 2 371.441 0.882 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000567488548 491509419 /nfs/dbraw/zinc/50/94/19/491509419.db2.gz WIIHBKKFMQHYME-UHFFFAOYSA-N 2 2 371.441 0.882 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2=O)c1 ZINC000567492850 491509530 /nfs/dbraw/zinc/50/95/30/491509530.db2.gz WDGNCYHPEVJBBU-YJBOKZPZSA-N 2 2 363.458 0.854 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2=O)c1 ZINC000567492850 491509533 /nfs/dbraw/zinc/50/95/33/491509533.db2.gz WDGNCYHPEVJBBU-YJBOKZPZSA-N 2 2 363.458 0.854 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000574657036 491511312 /nfs/dbraw/zinc/51/13/12/491511312.db2.gz VLCKJLKDYLPDSB-KRWDZBQOSA-N 2 2 368.522 0.308 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571484 491514635 /nfs/dbraw/zinc/51/46/35/491514635.db2.gz HZPIFTFYZGJQFV-IAGOWNOFSA-N 3 2 355.527 0.408 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571484 491514637 /nfs/dbraw/zinc/51/46/37/491514637.db2.gz HZPIFTFYZGJQFV-IAGOWNOFSA-N 3 2 355.527 0.408 20 0 FCADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567603995 491517199 /nfs/dbraw/zinc/51/71/99/491517199.db2.gz MBKODBABTYKZFP-OWCLPIDISA-N 2 2 360.524 0.004 20 0 FCADLP C[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000574754404 491518047 /nfs/dbraw/zinc/51/80/47/491518047.db2.gz BEVHILPUQRLTSX-YJBOKZPZSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000574788218 491520073 /nfs/dbraw/zinc/52/00/73/491520073.db2.gz YSKOWAPBYPZUQQ-GFCCVEGCSA-N 2 2 350.850 0.633 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000567736040 491526045 /nfs/dbraw/zinc/52/60/45/491526045.db2.gz CCTQIIYIWIBMNF-CVEARBPZSA-N 3 2 361.490 0.752 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000567736041 491526056 /nfs/dbraw/zinc/52/60/56/491526056.db2.gz CCTQIIYIWIBMNF-HOTGVXAUSA-N 3 2 361.490 0.752 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]([NH3+])c3c(F)cccc3F)C2)nn1 ZINC000575122260 491540480 /nfs/dbraw/zinc/54/04/80/491540480.db2.gz DVYYBNKEMBQKIG-XHDPSFHLSA-N 2 2 350.373 0.879 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000575235609 491547323 /nfs/dbraw/zinc/54/73/23/491547323.db2.gz WUWNTIAFRJBZBN-MJGOQNOKSA-N 2 2 374.485 0.901 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[C@H](C[NH3+])C1 ZINC000575733619 491556684 /nfs/dbraw/zinc/55/66/84/491556684.db2.gz IGHOHBGMGVSIHJ-QGZVFWFLSA-N 2 2 360.437 0.838 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)[C@H](C[NH3+])C1 ZINC000575733619 491556686 /nfs/dbraw/zinc/55/66/86/491556686.db2.gz IGHOHBGMGVSIHJ-QGZVFWFLSA-N 2 2 360.437 0.838 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000575739724 491557386 /nfs/dbraw/zinc/55/73/86/491557386.db2.gz XWWNBJKOCXXYBV-DLBZAZTESA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000575739724 491557387 /nfs/dbraw/zinc/55/73/87/491557387.db2.gz XWWNBJKOCXXYBV-DLBZAZTESA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCSC3)CC2)CC1 ZINC000575913494 491569887 /nfs/dbraw/zinc/56/98/87/491569887.db2.gz JAWUUVBKUHRNSZ-OAHLLOKOSA-N 2 2 368.547 0.627 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCSC3)CC2)CC1 ZINC000575913494 491569890 /nfs/dbraw/zinc/56/98/90/491569890.db2.gz JAWUUVBKUHRNSZ-OAHLLOKOSA-N 2 2 368.547 0.627 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000575925391 491570684 /nfs/dbraw/zinc/57/06/84/491570684.db2.gz MISXKLPMFLOGNL-CZUORRHYSA-N 2 2 359.474 0.788 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000668422157 493351355 /nfs/dbraw/zinc/35/13/55/493351355.db2.gz RQQDZWSNULVNSQ-OAHLLOKOSA-N 2 2 357.458 0.982 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000568468969 491579108 /nfs/dbraw/zinc/57/91/08/491579108.db2.gz JOISZUSJGALLQE-GOSISDBHSA-N 2 2 355.523 0.896 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000568468969 491579109 /nfs/dbraw/zinc/57/91/09/491579109.db2.gz JOISZUSJGALLQE-GOSISDBHSA-N 2 2 355.523 0.896 20 0 FCADLP CCNc1nc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000561203070 491582424 /nfs/dbraw/zinc/58/24/24/491582424.db2.gz PCOTTWVIIYBOLU-UHFFFAOYSA-N 2 2 373.509 0.991 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[NH+]1CCOCC1 ZINC000561224603 491585773 /nfs/dbraw/zinc/58/57/73/491585773.db2.gz BGWFOPNDVIMKMI-INIZCTEOSA-N 2 2 361.486 0.980 20 0 FCADLP CN(CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000577066539 491586452 /nfs/dbraw/zinc/58/64/52/491586452.db2.gz VQAIGDHMMAKIDP-LSDHHAIUSA-N 2 2 370.457 0.479 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000561275667 491593460 /nfs/dbraw/zinc/59/34/60/491593460.db2.gz KVFTZEWMDRBQPJ-BZUAXINKSA-N 2 2 361.490 0.798 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000561367798 491601861 /nfs/dbraw/zinc/60/18/61/491601861.db2.gz SADVAZQXNGJHPA-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CC(C)(C)C)NC(=O)Cc1c[nH+]cn1C ZINC000584548928 491603093 /nfs/dbraw/zinc/60/30/93/491603093.db2.gz RDDFLUSGPSSCIB-AWEZNQCLSA-N 2 2 374.489 0.976 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561425977 491607248 /nfs/dbraw/zinc/60/72/48/491607248.db2.gz OEZVTTNPUHTHTJ-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000561425977 491607249 /nfs/dbraw/zinc/60/72/49/491607249.db2.gz OEZVTTNPUHTHTJ-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473438 493355062 /nfs/dbraw/zinc/35/50/62/493355062.db2.gz HJOOIUBZJJFEDX-ZWKOTPCHSA-N 2 2 366.506 0.300 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473438 493355064 /nfs/dbraw/zinc/35/50/64/493355064.db2.gz HJOOIUBZJJFEDX-ZWKOTPCHSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561488055 491612380 /nfs/dbraw/zinc/61/23/80/491612380.db2.gz GXQDSMDTZGYVOR-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561488055 491612382 /nfs/dbraw/zinc/61/23/82/491612382.db2.gz GXQDSMDTZGYVOR-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576409184 491612780 /nfs/dbraw/zinc/61/27/80/491612780.db2.gz XPGGBQBZEXLCLX-HUUCEWRRSA-N 2 2 371.441 0.876 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(OC)nn3)CC2)CC1 ZINC000577361523 491615122 /nfs/dbraw/zinc/61/51/22/491615122.db2.gz CTULWBBNVZBIEV-UHFFFAOYSA-N 2 2 362.478 1.509 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(OC)nn3)CC2)CC1 ZINC000577361523 491615125 /nfs/dbraw/zinc/61/51/25/491615125.db2.gz CTULWBBNVZBIEV-UHFFFAOYSA-N 2 2 362.478 1.509 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000576459648 491616288 /nfs/dbraw/zinc/61/62/88/491616288.db2.gz MHSUGQAHXXPWKV-HNNXBMFYSA-N 2 2 360.487 1.000 20 0 FCADLP O=C(C[N@H+]1CC[C@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000576459648 491616291 /nfs/dbraw/zinc/61/62/91/491616291.db2.gz MHSUGQAHXXPWKV-HNNXBMFYSA-N 2 2 360.487 1.000 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000576459652 491616320 /nfs/dbraw/zinc/61/63/20/491616320.db2.gz MHSUGQAHXXPWKV-OAHLLOKOSA-N 2 2 360.487 1.000 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000576459652 491616322 /nfs/dbraw/zinc/61/63/22/491616322.db2.gz MHSUGQAHXXPWKV-OAHLLOKOSA-N 2 2 360.487 1.000 20 0 FCADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000576461674 491616908 /nfs/dbraw/zinc/61/69/08/491616908.db2.gz FFZPUJPJLPAVFY-MRXNPFEDSA-N 3 2 360.487 0.866 20 0 FCADLP O=C(C(=O)N1CCC2(CC[NH2+]CC2)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000577382361 491617358 /nfs/dbraw/zinc/61/73/58/491617358.db2.gz PGRTUPLPYBZBON-INIZCTEOSA-N 2 2 359.474 0.866 20 0 FCADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCCc3c[nH+]cn3C)CC2)cn1C ZINC000576475961 491618308 /nfs/dbraw/zinc/61/83/08/491618308.db2.gz QNCCZBVHCWLGMY-UHFFFAOYSA-N 2 2 366.491 0.401 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000577499455 491626947 /nfs/dbraw/zinc/62/69/47/491626947.db2.gz LIKUCGXISDHLEK-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000577499455 491626950 /nfs/dbraw/zinc/62/69/50/491626950.db2.gz LIKUCGXISDHLEK-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000561812766 491632196 /nfs/dbraw/zinc/63/21/96/491632196.db2.gz KLPMCVZSVBQWCJ-STQMWFEESA-N 2 2 350.467 0.043 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000561812766 491632197 /nfs/dbraw/zinc/63/21/97/491632197.db2.gz KLPMCVZSVBQWCJ-STQMWFEESA-N 2 2 350.467 0.043 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000577594928 491634474 /nfs/dbraw/zinc/63/44/74/491634474.db2.gz QLCVYOWHAMPNHJ-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000576696436 491636625 /nfs/dbraw/zinc/63/66/25/491636625.db2.gz OEZPJFQMXHFCFQ-KRWDZBQOSA-N 2 2 363.458 0.280 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)C2 ZINC000576736917 491640595 /nfs/dbraw/zinc/64/05/95/491640595.db2.gz VGYRFWXMKJQPHD-WMZOPIPTSA-N 2 2 362.474 0.704 20 0 FCADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000561953675 491642066 /nfs/dbraw/zinc/64/20/66/491642066.db2.gz XGIPOQCJQKFEJN-HNNXBMFYSA-N 2 2 350.463 0.844 20 0 FCADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000561953675 491642069 /nfs/dbraw/zinc/64/20/69/491642069.db2.gz XGIPOQCJQKFEJN-HNNXBMFYSA-N 2 2 350.463 0.844 20 0 FCADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)NC1C[NH2+]C1 ZINC000577713967 491644720 /nfs/dbraw/zinc/64/47/20/491644720.db2.gz NVRYOLUMGALCOI-CQSZACIVSA-N 2 2 368.840 0.820 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000577724427 491646097 /nfs/dbraw/zinc/64/60/97/491646097.db2.gz RHLKLJSMRIVYKP-ROUUACIJSA-N 2 2 362.474 0.738 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562026469 491648871 /nfs/dbraw/zinc/64/88/71/491648871.db2.gz SKVYDOUIFLKZMZ-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562026468 491648914 /nfs/dbraw/zinc/64/89/14/491648914.db2.gz SKVYDOUIFLKZMZ-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000569330650 491652504 /nfs/dbraw/zinc/65/25/04/491652504.db2.gz VANDKHYEQACVGA-UHFFFAOYSA-N 2 2 361.490 0.488 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000569325952 491652728 /nfs/dbraw/zinc/65/27/28/491652728.db2.gz QFOVRFOGFKFZLP-CVEARBPZSA-N 2 2 374.489 0.312 20 0 FCADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1N1CCCC1=O ZINC000577940486 491664124 /nfs/dbraw/zinc/66/41/24/491664124.db2.gz YGIHNDCIFPOASG-AWEZNQCLSA-N 2 2 361.446 0.929 20 0 FCADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1N1CCCC1=O ZINC000577940486 491664128 /nfs/dbraw/zinc/66/41/28/491664128.db2.gz YGIHNDCIFPOASG-AWEZNQCLSA-N 2 2 361.446 0.929 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000569474101 491664519 /nfs/dbraw/zinc/66/45/19/491664519.db2.gz UGFKMGYQFUWVIP-GDBMZVCRSA-N 2 2 369.487 0.347 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000578006000 491667379 /nfs/dbraw/zinc/66/73/79/491667379.db2.gz LREJDMJNRTULNQ-CABCVRRESA-N 2 2 359.465 0.653 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000578053864 491668736 /nfs/dbraw/zinc/66/87/36/491668736.db2.gz NZLHZRBUDPRHTF-CYBMUJFWSA-N 2 2 368.840 0.648 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000578053864 491668737 /nfs/dbraw/zinc/66/87/37/491668737.db2.gz NZLHZRBUDPRHTF-CYBMUJFWSA-N 2 2 368.840 0.648 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000578051353 491668763 /nfs/dbraw/zinc/66/87/63/491668763.db2.gz SCUZGMMXYZIJSR-LJQANCHMSA-N 3 2 374.533 0.483 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000578051353 491668764 /nfs/dbraw/zinc/66/87/64/491668764.db2.gz SCUZGMMXYZIJSR-LJQANCHMSA-N 3 2 374.533 0.483 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000578062764 491668894 /nfs/dbraw/zinc/66/88/94/491668894.db2.gz WVEUKKFGIFVZOW-OTWHNJEPSA-N 2 2 370.497 0.835 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000578082246 491669514 /nfs/dbraw/zinc/66/95/14/491669514.db2.gz KUFGAPMKCOSYMI-UHFFFAOYSA-N 2 2 373.457 0.505 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000578122383 491670316 /nfs/dbraw/zinc/67/03/16/491670316.db2.gz AMCXJUKGGGUWBA-CVEARBPZSA-N 2 2 354.495 0.047 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCCCC(=O)N1)[C@H]1CC12CC[NH2+]CC2 ZINC000578237969 491672848 /nfs/dbraw/zinc/67/28/48/491672848.db2.gz DZUVQZCVGPPVAH-GJZGRUSLSA-N 2 2 359.474 0.950 20 0 FCADLP C[C@@H](NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]1 ZINC000578313943 491674359 /nfs/dbraw/zinc/67/43/59/491674359.db2.gz DCDWQMMTOJALAP-HZPDHXFCSA-N 2 2 367.519 0.264 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000579012148 491689135 /nfs/dbraw/zinc/68/91/35/491689135.db2.gz OOWCDJYSECYVIX-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000579012148 491689136 /nfs/dbraw/zinc/68/91/36/491689136.db2.gz OOWCDJYSECYVIX-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000579216145 491693235 /nfs/dbraw/zinc/69/32/35/491693235.db2.gz OFDAYLWUOMBDKJ-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000579216145 491693236 /nfs/dbraw/zinc/69/32/36/491693236.db2.gz OFDAYLWUOMBDKJ-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000579277677 491694663 /nfs/dbraw/zinc/69/46/63/491694663.db2.gz NFWVMYQCKXLIDY-OAHLLOKOSA-N 2 2 364.494 0.463 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000579277677 491694664 /nfs/dbraw/zinc/69/46/64/491694664.db2.gz NFWVMYQCKXLIDY-OAHLLOKOSA-N 2 2 364.494 0.463 20 0 FCADLP Cc1ccc(C(=O)NCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000579451860 491697969 /nfs/dbraw/zinc/69/79/69/491697969.db2.gz NMOFIHGLTOKEOH-CQSZACIVSA-N 2 2 351.426 0.148 20 0 FCADLP Cc1ccc(C(=O)NCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000579451860 491697970 /nfs/dbraw/zinc/69/79/70/491697970.db2.gz NMOFIHGLTOKEOH-CQSZACIVSA-N 2 2 351.426 0.148 20 0 FCADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCCO ZINC000579456352 491698110 /nfs/dbraw/zinc/69/81/10/491698110.db2.gz MWOCYWPWBCKQRK-ZOBUZTSGSA-N 2 2 368.474 0.626 20 0 FCADLP CN(C(=O)C1([NH+](C)C)CC1)c1nc(CNC(=O)C2([NH+](C)C)CC2)cs1 ZINC000668449082 493356939 /nfs/dbraw/zinc/35/69/39/493356939.db2.gz JGBFGAVJOAVQSX-UHFFFAOYSA-N 2 2 365.503 0.911 20 0 FCADLP COC(=O)c1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1C ZINC000579528161 491699723 /nfs/dbraw/zinc/69/97/23/491699723.db2.gz CFUOQZUGABYDMG-UHFFFAOYSA-N 2 2 362.474 0.798 20 0 FCADLP O=C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000579701195 491703202 /nfs/dbraw/zinc/70/32/02/491703202.db2.gz LJBXSXKLNYLPOK-QUCCMNQESA-N 2 2 358.486 0.692 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000579833740 491706347 /nfs/dbraw/zinc/70/63/47/491706347.db2.gz GJGMKAFZQNVJIK-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000579833740 491706348 /nfs/dbraw/zinc/70/63/48/491706348.db2.gz GJGMKAFZQNVJIK-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000579834373 491706352 /nfs/dbraw/zinc/70/63/52/491706352.db2.gz YVKQEBRVAUEMRV-SFYZZRBRSA-N 2 2 367.490 0.474 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000579927729 491709524 /nfs/dbraw/zinc/70/95/24/491709524.db2.gz BWURWRJDLSWBSF-UHFFFAOYSA-N 2 2 350.529 0.335 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950039 491710806 /nfs/dbraw/zinc/71/08/06/491710806.db2.gz OOIGGZCMZZOBRG-BDJLRTHQSA-N 2 2 355.385 0.966 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950039 491710808 /nfs/dbraw/zinc/71/08/08/491710808.db2.gz OOIGGZCMZZOBRG-BDJLRTHQSA-N 2 2 355.385 0.966 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091136 491717123 /nfs/dbraw/zinc/71/71/23/491717123.db2.gz QVFVHEUOIDTSPI-APWZRJJASA-N 2 2 360.502 0.947 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091136 491717124 /nfs/dbraw/zinc/71/71/24/491717124.db2.gz QVFVHEUOIDTSPI-APWZRJJASA-N 3 2 360.502 0.947 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091136 491717125 /nfs/dbraw/zinc/71/71/25/491717125.db2.gz QVFVHEUOIDTSPI-APWZRJJASA-N 3 2 360.502 0.947 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580196711 491721399 /nfs/dbraw/zinc/72/13/99/491721399.db2.gz ZLLWSFMOMKAXTM-UXLLHSPISA-N 2 2 362.474 0.246 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580196711 491721401 /nfs/dbraw/zinc/72/14/01/491721401.db2.gz ZLLWSFMOMKAXTM-UXLLHSPISA-N 2 2 362.474 0.246 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580299762 491724936 /nfs/dbraw/zinc/72/49/36/491724936.db2.gz LAMZGYPEZOCPCD-CYBMUJFWSA-N 2 2 362.400 0.799 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000580532832 491734725 /nfs/dbraw/zinc/73/47/25/491734725.db2.gz IUNXSILVXGYVJQ-ZWKOTPCHSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000580532832 491734727 /nfs/dbraw/zinc/73/47/27/491734727.db2.gz IUNXSILVXGYVJQ-ZWKOTPCHSA-N 2 2 373.501 0.504 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000580602355 491738403 /nfs/dbraw/zinc/73/84/03/491738403.db2.gz GPLPORJKDAGHSW-WBVHZDCISA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000580602355 491738404 /nfs/dbraw/zinc/73/84/04/491738404.db2.gz GPLPORJKDAGHSW-WBVHZDCISA-N 2 2 364.490 0.076 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000580769416 491744836 /nfs/dbraw/zinc/74/48/36/491744836.db2.gz PFFMMRPQTZOJKE-MSOLQXFVSA-N 2 2 351.491 0.451 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000580769416 491744838 /nfs/dbraw/zinc/74/48/38/491744838.db2.gz PFFMMRPQTZOJKE-MSOLQXFVSA-N 2 2 351.491 0.451 20 0 FCADLP CCOCC[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580888991 491750320 /nfs/dbraw/zinc/75/03/20/491750320.db2.gz UKQSJPHHFMXCQF-MRXNPFEDSA-N 2 2 350.463 0.497 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH+]1CCOCC1 ZINC000580960248 491753433 /nfs/dbraw/zinc/75/34/33/491753433.db2.gz INGVRUCPXXRTDS-INIZCTEOSA-N 2 2 351.495 0.921 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000580970310 491754029 /nfs/dbraw/zinc/75/40/29/491754029.db2.gz YEYPQINLIQNJJY-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000580970310 491754031 /nfs/dbraw/zinc/75/40/31/491754031.db2.gz YEYPQINLIQNJJY-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000580970310 491754033 /nfs/dbraw/zinc/75/40/33/491754033.db2.gz YEYPQINLIQNJJY-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000580970310 491754035 /nfs/dbraw/zinc/75/40/35/491754035.db2.gz YEYPQINLIQNJJY-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1CC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000581150303 491761375 /nfs/dbraw/zinc/76/13/75/491761375.db2.gz STTMZFGRSFDVEX-GJZGRUSLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H]1CC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000581150303 491761377 /nfs/dbraw/zinc/76/13/77/491761377.db2.gz STTMZFGRSFDVEX-GJZGRUSLSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581246424 491765635 /nfs/dbraw/zinc/76/56/35/491765635.db2.gz UXNLGVBCXWFKKJ-KRWDZBQOSA-N 2 2 364.490 0.743 20 0 FCADLP CC(C)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n(-c2ncccn2)n1 ZINC000581298496 491767680 /nfs/dbraw/zinc/76/76/80/491767680.db2.gz QWATWDUDMAOMNX-CYBMUJFWSA-N 2 2 358.450 0.892 20 0 FCADLP CC(C)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n(-c2ncccn2)n1 ZINC000581298496 491767682 /nfs/dbraw/zinc/76/76/82/491767682.db2.gz QWATWDUDMAOMNX-CYBMUJFWSA-N 2 2 358.450 0.892 20 0 FCADLP CC[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000581383123 491770851 /nfs/dbraw/zinc/77/08/51/491770851.db2.gz TXXVZKDEWFGEGJ-GVDBMIGSSA-N 2 2 357.495 0.027 20 0 FCADLP CC[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000581383123 491770852 /nfs/dbraw/zinc/77/08/52/491770852.db2.gz TXXVZKDEWFGEGJ-GVDBMIGSSA-N 2 2 357.495 0.027 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000581881713 491788566 /nfs/dbraw/zinc/78/85/66/491788566.db2.gz DLSJMDDXZIKCSK-GOEBONIOSA-N 2 2 359.405 0.633 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000581940535 491791168 /nfs/dbraw/zinc/79/11/68/491791168.db2.gz OWGJIKNLHINZMB-SFHVURJKSA-N 2 2 360.502 0.959 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000582053264 491795895 /nfs/dbraw/zinc/79/58/95/491795895.db2.gz SXKXLGTXQIJTKI-ZDUSSCGKSA-N 2 2 368.384 0.926 20 0 FCADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000582053264 491795897 /nfs/dbraw/zinc/79/58/97/491795897.db2.gz SXKXLGTXQIJTKI-ZDUSSCGKSA-N 2 2 368.384 0.926 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CS(=O)(=O)CCO3)c2cc1C ZINC000582058254 491796100 /nfs/dbraw/zinc/79/61/00/491796100.db2.gz UWLRDUMRDDMFPE-CABCVRRESA-N 2 2 367.471 0.417 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+](C)C1 ZINC000591175313 491798070 /nfs/dbraw/zinc/79/80/70/491798070.db2.gz XUJDRPRGMFWZJK-RDJZCZTQSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+](C)C1 ZINC000591175313 491798071 /nfs/dbraw/zinc/79/80/71/491798071.db2.gz XUJDRPRGMFWZJK-RDJZCZTQSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175313 491798072 /nfs/dbraw/zinc/79/80/72/491798072.db2.gz XUJDRPRGMFWZJK-RDJZCZTQSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175313 491798073 /nfs/dbraw/zinc/79/80/73/491798073.db2.gz XUJDRPRGMFWZJK-RDJZCZTQSA-N 2 2 360.458 0.919 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000582124840 491798999 /nfs/dbraw/zinc/79/89/99/491798999.db2.gz VNUDJXFWPXEPEV-APWZRJJASA-N 2 2 371.485 0.638 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000582124840 491799000 /nfs/dbraw/zinc/79/90/00/491799000.db2.gz VNUDJXFWPXEPEV-APWZRJJASA-N 2 2 371.485 0.638 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591558597 491808181 /nfs/dbraw/zinc/80/81/81/491808181.db2.gz TWIZNRQCZQOFIX-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP COC1(CO)CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000683677522 493364915 /nfs/dbraw/zinc/36/49/15/493364915.db2.gz VOXTXBQIVHLJEH-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000582406319 491811081 /nfs/dbraw/zinc/81/10/81/491811081.db2.gz VAIZOWOGBGCAKD-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000582406319 491811082 /nfs/dbraw/zinc/81/10/82/491811082.db2.gz VAIZOWOGBGCAKD-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000582603737 491819409 /nfs/dbraw/zinc/81/94/09/491819409.db2.gz QGILEQRQUUSMOJ-HOCLYGCPSA-N 2 2 359.405 0.633 20 0 FCADLP CC[NH+](CC)CCN(C(=O)c1csc(C[NH3+])n1)[C@H]1CCS(=O)(=O)C1 ZINC000582607076 491819814 /nfs/dbraw/zinc/81/98/14/491819814.db2.gz PTIOBJNSBCIZRO-LBPRGKRZSA-N 2 2 374.532 0.573 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000582774782 491826135 /nfs/dbraw/zinc/82/61/35/491826135.db2.gz VAQLSPQLGXDTDW-DLBZAZTESA-N 2 2 363.506 0.324 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000582774783 491826175 /nfs/dbraw/zinc/82/61/75/491826175.db2.gz VAQLSPQLGXDTDW-IAGOWNOFSA-N 2 2 363.506 0.324 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000582846341 491829289 /nfs/dbraw/zinc/82/92/89/491829289.db2.gz JKSXHXJMWLDBCS-ROUUACIJSA-N 3 2 370.501 0.492 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000582962066 491834079 /nfs/dbraw/zinc/83/40/79/491834079.db2.gz AZZNAUYLLKUOPL-MRXNPFEDSA-N 2 2 373.501 0.983 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000583189962 491839885 /nfs/dbraw/zinc/83/98/85/491839885.db2.gz OIXVWRHHWUCNAI-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000583337276 491842805 /nfs/dbraw/zinc/84/28/05/491842805.db2.gz GLXGRCCNQDVCMI-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000583371484 491843504 /nfs/dbraw/zinc/84/35/04/491843504.db2.gz PXHDDQLWZRGCHC-KBPBESRZSA-N 2 2 374.411 0.893 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C[NH+]1CCOCC1 ZINC000583516048 491846689 /nfs/dbraw/zinc/84/66/89/491846689.db2.gz JPFKVZFIZOCARU-HNNXBMFYSA-N 2 2 363.462 0.131 20 0 FCADLP C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583628941 491848963 /nfs/dbraw/zinc/84/89/63/491848963.db2.gz FOXMWKBYWNUCAA-CRAIPNDOSA-N 2 2 372.473 0.646 20 0 FCADLP C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583628941 491848964 /nfs/dbraw/zinc/84/89/64/491848964.db2.gz FOXMWKBYWNUCAA-CRAIPNDOSA-N 2 2 372.473 0.646 20 0 FCADLP [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000583755846 491851352 /nfs/dbraw/zinc/85/13/52/491851352.db2.gz GKCRLWPLCMXRSU-SFHVURJKSA-N 2 2 362.474 0.507 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802433 491852201 /nfs/dbraw/zinc/85/22/01/491852201.db2.gz IIOFXCAKYTUDAJ-TWMKSMIVSA-N 2 2 364.490 0.099 20 0 FCADLP COc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000583807611 491852334 /nfs/dbraw/zinc/85/23/34/491852334.db2.gz SFLOKLFVHZIDMC-ZOBUZTSGSA-N 2 2 365.474 0.485 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000584002012 491856438 /nfs/dbraw/zinc/85/64/38/491856438.db2.gz IUOKWEOUCHVYBB-WWGRRREGSA-N 2 2 350.438 0.931 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000584002012 491856439 /nfs/dbraw/zinc/85/64/39/491856439.db2.gz IUOKWEOUCHVYBB-WWGRRREGSA-N 2 2 350.438 0.931 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[NH+](C3CCC3)CC1)CCC2 ZINC000584195008 491860400 /nfs/dbraw/zinc/86/04/00/491860400.db2.gz JCAPKVYSDHMZID-HNNXBMFYSA-N 2 2 359.474 0.882 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000611671918 491866778 /nfs/dbraw/zinc/86/67/78/491866778.db2.gz HDCFPMWLNXCGDB-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000611671918 491866780 /nfs/dbraw/zinc/86/67/80/491866780.db2.gz HDCFPMWLNXCGDB-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000611671918 491866781 /nfs/dbraw/zinc/86/67/81/491866781.db2.gz HDCFPMWLNXCGDB-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000611671918 491866782 /nfs/dbraw/zinc/86/67/82/491866782.db2.gz HDCFPMWLNXCGDB-CGTJXYLNSA-N 2 2 374.485 0.212 20 0 FCADLP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886070 491888083 /nfs/dbraw/zinc/88/80/83/491888083.db2.gz KRGGLWODZHAFCQ-DLBZAZTESA-N 2 2 373.453 0.838 20 0 FCADLP COC(=O)[C@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886070 491888084 /nfs/dbraw/zinc/88/80/84/491888084.db2.gz KRGGLWODZHAFCQ-DLBZAZTESA-N 2 2 373.453 0.838 20 0 FCADLP COC(=O)C1CC[NH+](CCCNS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000601307000 491902892 /nfs/dbraw/zinc/90/28/92/491902892.db2.gz UWEGFERREVKKIT-UHFFFAOYSA-N 2 2 361.508 0.275 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)[nH+]c12 ZINC000595269626 491909919 /nfs/dbraw/zinc/90/99/19/491909919.db2.gz VSDHKMHVYMCGON-CABCVRRESA-N 2 2 356.430 0.139 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cn21 ZINC000595275050 491910867 /nfs/dbraw/zinc/91/08/67/491910867.db2.gz ZBHBRLIBHDPNDO-LSDHHAIUSA-N 2 2 356.430 0.139 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCOC(C)(C)C ZINC000612351916 491911503 /nfs/dbraw/zinc/91/15/03/491911503.db2.gz JSPSBNVIEUNHEF-UHFFFAOYSA-N 2 2 370.538 0.792 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCOC(C)(C)C ZINC000612351916 491911505 /nfs/dbraw/zinc/91/15/05/491911505.db2.gz JSPSBNVIEUNHEF-UHFFFAOYSA-N 2 2 370.538 0.792 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543560 491931755 /nfs/dbraw/zinc/93/17/55/491931755.db2.gz QSGAQJBKKBYQRS-RTBURBONSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543560 491931756 /nfs/dbraw/zinc/93/17/56/491931756.db2.gz QSGAQJBKKBYQRS-RTBURBONSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543560 491931758 /nfs/dbraw/zinc/93/17/58/491931758.db2.gz QSGAQJBKKBYQRS-RTBURBONSA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000612543560 491931759 /nfs/dbraw/zinc/93/17/59/491931759.db2.gz QSGAQJBKKBYQRS-RTBURBONSA-N 2 2 372.513 0.972 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595471099 491934892 /nfs/dbraw/zinc/93/48/92/491934892.db2.gz WVUGENDODUATCC-GJZGRUSLSA-N 2 2 356.467 0.034 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595471099 491934893 /nfs/dbraw/zinc/93/48/93/491934893.db2.gz WVUGENDODUATCC-GJZGRUSLSA-N 2 2 356.467 0.034 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000595901187 491960303 /nfs/dbraw/zinc/96/03/03/491960303.db2.gz DCXHZPHUDWRFIC-UHFFFAOYSA-N 2 2 364.490 0.485 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965582 491960302 /nfs/dbraw/zinc/96/03/02/491960302.db2.gz ADOHBWAWODMBDC-PBHICJAKSA-N 2 2 354.520 0.636 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC000602098450 491960854 /nfs/dbraw/zinc/96/08/54/491960854.db2.gz SFWANYNEZSBJCU-UHFFFAOYSA-N 2 2 352.435 0.340 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)COc4ccccc43)C2)CC1 ZINC000602204927 491967859 /nfs/dbraw/zinc/96/78/59/491967859.db2.gz ZEJBGNZWMVFARG-OAHLLOKOSA-N 2 2 372.469 0.697 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)COc4ccccc43)C2)CC1 ZINC000602204927 491967861 /nfs/dbraw/zinc/96/78/61/491967861.db2.gz ZEJBGNZWMVFARG-OAHLLOKOSA-N 2 2 372.469 0.697 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(OCC(N)=O)c3)C2)CC1 ZINC000602203342 491968330 /nfs/dbraw/zinc/96/83/30/491968330.db2.gz NFXZCNHPJUIATJ-OAHLLOKOSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(OCC(N)=O)c3)C2)CC1 ZINC000602203342 491968333 /nfs/dbraw/zinc/96/83/33/491968333.db2.gz NFXZCNHPJUIATJ-OAHLLOKOSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+](C)[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000596165783 491977766 /nfs/dbraw/zinc/97/77/66/491977766.db2.gz YKAXPDUPTUKYHQ-GOSISDBHSA-N 2 2 357.458 1.457 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccc(O)cc3)C2)CC1 ZINC000602330829 491979587 /nfs/dbraw/zinc/97/95/87/491979587.db2.gz ROFSYSBMBADNPX-OAHLLOKOSA-N 2 2 360.458 0.407 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccc(O)cc3)C2)CC1 ZINC000602330829 491979590 /nfs/dbraw/zinc/97/95/90/491979590.db2.gz ROFSYSBMBADNPX-OAHLLOKOSA-N 2 2 360.458 0.407 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000613416125 491980975 /nfs/dbraw/zinc/98/09/75/491980975.db2.gz VLFQDFFODZVXJA-HNNXBMFYSA-N 2 2 355.866 0.786 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[N@H+](C)C1 ZINC000596273431 491982085 /nfs/dbraw/zinc/98/20/85/491982085.db2.gz QFKUFJMBZBZKFB-CQSZACIVSA-N 2 2 363.462 0.369 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000596273431 491982088 /nfs/dbraw/zinc/98/20/88/491982088.db2.gz QFKUFJMBZBZKFB-CQSZACIVSA-N 2 2 363.462 0.369 20 0 FCADLP CC[N@@H+]1CCc2nc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)sc2C1 ZINC000602468779 491988004 /nfs/dbraw/zinc/98/80/04/491988004.db2.gz QKFVKZGVXSVFMN-QHCPKHFHSA-N 2 2 356.517 0.960 20 0 FCADLP CC[N@H+]1CCc2nc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)sc2C1 ZINC000602468779 491988005 /nfs/dbraw/zinc/98/80/05/491988005.db2.gz QKFVKZGVXSVFMN-QHCPKHFHSA-N 2 2 356.517 0.960 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602485949 491988891 /nfs/dbraw/zinc/98/88/91/491988891.db2.gz RVBHOOJKKCELCN-CQSZACIVSA-N 2 2 372.560 0.996 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602485949 491988893 /nfs/dbraw/zinc/98/88/93/491988893.db2.gz RVBHOOJKKCELCN-CQSZACIVSA-N 2 2 372.560 0.996 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000602504180 491990284 /nfs/dbraw/zinc/99/02/84/491990284.db2.gz LJLNETZFJDRNBG-PBHICJAKSA-N 2 2 363.458 0.661 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996227 492008946 /nfs/dbraw/zinc/00/89/46/492008946.db2.gz QVOKREQCPGBXNF-RDBSUJKOSA-N 2 2 366.487 0.415 20 0 FCADLP C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989686 492010748 /nfs/dbraw/zinc/01/07/48/492010748.db2.gz ZFMVAXMVIFLRTF-UHFFFAOYSA-N 2 2 361.446 0.431 20 0 FCADLP C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989686 492010750 /nfs/dbraw/zinc/01/07/50/492010750.db2.gz ZFMVAXMVIFLRTF-UHFFFAOYSA-N 2 2 361.446 0.431 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000603588436 492038150 /nfs/dbraw/zinc/03/81/50/492038150.db2.gz GFTWOUXOGRWMIH-UHFFFAOYSA-N 2 2 365.522 0.857 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604633730 492065131 /nfs/dbraw/zinc/06/51/31/492065131.db2.gz CQZRDXIEILBVCS-INIZCTEOSA-N 2 2 362.478 0.199 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604633730 492065132 /nfs/dbraw/zinc/06/51/32/492065132.db2.gz CQZRDXIEILBVCS-INIZCTEOSA-N 2 2 362.478 0.199 20 0 FCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615093972 492073025 /nfs/dbraw/zinc/07/30/25/492073025.db2.gz BGJMDYITJWKGNS-DLBZAZTESA-N 2 2 368.547 0.043 20 0 FCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615093972 492073027 /nfs/dbraw/zinc/07/30/27/492073027.db2.gz BGJMDYITJWKGNS-DLBZAZTESA-N 2 2 368.547 0.043 20 0 FCADLP CN(c1cc2c(nn1)CCC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000597948910 492074580 /nfs/dbraw/zinc/07/45/80/492074580.db2.gz KEIZXOZTAOAXHH-UHFFFAOYSA-N 2 2 372.517 0.640 20 0 FCADLP COCCOC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000604885660 492076690 /nfs/dbraw/zinc/07/66/90/492076690.db2.gz SFBPMBNTECONMR-UHFFFAOYSA-N 2 2 357.495 0.341 20 0 FCADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000605559049 492098741 /nfs/dbraw/zinc/09/87/41/492098741.db2.gz AMMOPYRHWIHHGD-AWEZNQCLSA-N 2 2 356.430 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000616256980 492123599 /nfs/dbraw/zinc/12/35/99/492123599.db2.gz DSAJHLLWEYAUAA-HZPDHXFCSA-N 2 2 361.490 0.436 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633826 492125340 /nfs/dbraw/zinc/12/53/40/492125340.db2.gz WMWLPQNTXPGUQO-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633826 492125342 /nfs/dbraw/zinc/12/53/42/492125342.db2.gz WMWLPQNTXPGUQO-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606700955 492127332 /nfs/dbraw/zinc/12/73/32/492127332.db2.gz SXKXSSXINBCLMH-INIZCTEOSA-N 2 2 365.522 0.666 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)CC1 ZINC000606844164 492131109 /nfs/dbraw/zinc/13/11/09/492131109.db2.gz KLFRYOAIIFOBHJ-OAHLLOKOSA-N 2 2 358.490 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(N4CCCC4)n3)C2)CC1 ZINC000606844164 492131110 /nfs/dbraw/zinc/13/11/10/492131110.db2.gz KLFRYOAIIFOBHJ-OAHLLOKOSA-N 2 2 358.490 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(C)(C)CO ZINC000616868905 492146664 /nfs/dbraw/zinc/14/66/64/492146664.db2.gz WWZMBUCFEKUCDI-UKRRQHHQSA-N 2 2 365.478 0.006 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000608056732 492164645 /nfs/dbraw/zinc/16/46/45/492164645.db2.gz BACZTVIUISFZSQ-CQSZACIVSA-N 2 2 358.450 0.200 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000608629237 492182622 /nfs/dbraw/zinc/18/26/22/492182622.db2.gz HVOVUJDQOAVUFE-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000608629237 492182624 /nfs/dbraw/zinc/18/26/24/492182624.db2.gz HVOVUJDQOAVUFE-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[N@@H+]1C ZINC000608649454 492183954 /nfs/dbraw/zinc/18/39/54/492183954.db2.gz BJCHTNOPAMSAGL-VYDXJSESSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[N@H+]1C ZINC000608649454 492183957 /nfs/dbraw/zinc/18/39/57/492183957.db2.gz BJCHTNOPAMSAGL-VYDXJSESSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)CO1 ZINC000617728694 492185763 /nfs/dbraw/zinc/18/57/63/492185763.db2.gz WYBHRSZDFICVNT-QWHCGFSZSA-N 2 2 360.462 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)CO1 ZINC000617728694 492185764 /nfs/dbraw/zinc/18/57/64/492185764.db2.gz WYBHRSZDFICVNT-QWHCGFSZSA-N 2 2 360.462 0.873 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000608680504 492186181 /nfs/dbraw/zinc/18/61/81/492186181.db2.gz XHJUHWGHUUZANL-AWEZNQCLSA-N 2 2 369.535 0.030 20 0 FCADLP CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617768748 492191439 /nfs/dbraw/zinc/19/14/39/492191439.db2.gz SSVMZUKAFAOYNH-UHFFFAOYSA-N 2 2 370.519 0.598 20 0 FCADLP CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617768748 492191441 /nfs/dbraw/zinc/19/14/41/492191441.db2.gz SSVMZUKAFAOYNH-UHFFFAOYSA-N 2 2 370.519 0.598 20 0 FCADLP COC(=O)[C@H](C)C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000608863014 492194470 /nfs/dbraw/zinc/19/44/70/492194470.db2.gz SITAROOHKIHFOC-CQSZACIVSA-N 2 2 355.479 0.487 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000608863014 492194472 /nfs/dbraw/zinc/19/44/72/492194472.db2.gz SITAROOHKIHFOC-CQSZACIVSA-N 2 2 355.479 0.487 20 0 FCADLP CCC(=O)N[C@H](CCSC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571773 492214420 /nfs/dbraw/zinc/21/44/20/492214420.db2.gz JCDNUWOUTLLUKA-GOEBONIOSA-N 2 2 370.563 0.919 20 0 FCADLP CCC(=O)N[C@H](CCSC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571773 492214422 /nfs/dbraw/zinc/21/44/22/492214422.db2.gz JCDNUWOUTLLUKA-GOEBONIOSA-N 2 2 370.563 0.919 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225295 492282148 /nfs/dbraw/zinc/28/21/48/492282148.db2.gz WHIJXPKMFJBXPC-ROUUACIJSA-N 2 2 350.507 0.336 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)C2)CC1 ZINC000611225295 492282149 /nfs/dbraw/zinc/28/21/49/492282149.db2.gz WHIJXPKMFJBXPC-ROUUACIJSA-N 2 2 350.507 0.336 20 0 FCADLP CC(C)O[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000647556766 492304575 /nfs/dbraw/zinc/30/45/75/492304575.db2.gz ACIXPCLLHQTMCP-QGZVFWFLSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)O[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000647556766 492304580 /nfs/dbraw/zinc/30/45/80/492304580.db2.gz ACIXPCLLHQTMCP-QGZVFWFLSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568523 492315349 /nfs/dbraw/zinc/31/53/49/492315349.db2.gz NWNHJQZJAHJRNW-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568523 492315353 /nfs/dbraw/zinc/31/53/53/492315353.db2.gz NWNHJQZJAHJRNW-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3cnc4n(c3=O)CCS4)c2)CC1 ZINC000634198225 492326130 /nfs/dbraw/zinc/32/61/30/492326130.db2.gz OETOSNNQACKDOS-UHFFFAOYSA-N 2 2 372.454 0.748 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC000654703358 492342033 /nfs/dbraw/zinc/34/20/33/492342033.db2.gz VZBUSPYSNNZYRG-JJRVBVJISA-N 2 2 362.478 0.866 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731854 492343601 /nfs/dbraw/zinc/34/36/01/492343601.db2.gz NZBVWDXEQPFFAV-SJORKVTESA-N 2 2 354.495 0.339 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731854 492343605 /nfs/dbraw/zinc/34/36/05/492343605.db2.gz NZBVWDXEQPFFAV-SJORKVTESA-N 2 2 354.495 0.339 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000647705663 492347976 /nfs/dbraw/zinc/34/79/76/492347976.db2.gz GVGHMBOXHFBETD-CQSZACIVSA-N 2 2 353.488 0.894 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642329995 492351427 /nfs/dbraw/zinc/35/14/27/492351427.db2.gz CVTLXGVWKDYWNM-GOEBONIOSA-N 2 2 371.416 0.838 20 0 FCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708246 492361412 /nfs/dbraw/zinc/36/14/12/492361412.db2.gz RQHJDGMLNOPCLV-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708246 492361414 /nfs/dbraw/zinc/36/14/14/492361414.db2.gz RQHJDGMLNOPCLV-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP Cn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc2c1=O ZINC000647825560 492367382 /nfs/dbraw/zinc/36/73/82/492367382.db2.gz GKTAFGVTKWCEPN-OAHLLOKOSA-N 2 2 369.469 0.577 20 0 FCADLP Cn1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc2c1=O ZINC000647825560 492367386 /nfs/dbraw/zinc/36/73/86/492367386.db2.gz GKTAFGVTKWCEPN-OAHLLOKOSA-N 2 2 369.469 0.577 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c[nH+]1 ZINC000642687134 492373221 /nfs/dbraw/zinc/37/32/21/492373221.db2.gz PDAYKKLJPYHVGO-DZGCQCFKSA-N 2 2 363.462 0.119 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642687170 492373419 /nfs/dbraw/zinc/37/34/19/492373419.db2.gz YEUGNWYVWINPFD-HOTGVXAUSA-N 2 2 357.458 0.508 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c[nH+]1 ZINC000642687093 492373750 /nfs/dbraw/zinc/37/37/50/492373750.db2.gz JPRQZOSUMHYIBF-HZPDHXFCSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CCO1 ZINC000647877071 492375286 /nfs/dbraw/zinc/37/52/86/492375286.db2.gz HJIMOMGTNYBNNI-HIFRSBDPSA-N 2 2 369.487 0.210 20 0 FCADLP O=C(COc1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647881164 492376840 /nfs/dbraw/zinc/37/68/40/492376840.db2.gz IXCUWDJMTCVCIU-UHFFFAOYSA-N 2 2 366.893 0.768 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncnn2CC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000647905674 492380484 /nfs/dbraw/zinc/38/04/84/492380484.db2.gz MNFJABIOBKNFAI-STQMWFEESA-N 2 2 356.421 0.623 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncnn2CC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000647905674 492380487 /nfs/dbraw/zinc/38/04/87/492380487.db2.gz MNFJABIOBKNFAI-STQMWFEESA-N 2 2 356.421 0.623 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@H]1[NH3+] ZINC000647938426 492385488 /nfs/dbraw/zinc/38/54/88/492385488.db2.gz MVMFHQOQYYSVPF-UKRRQHHQSA-N 2 2 368.503 0.949 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@H]1[NH3+] ZINC000647938426 492385490 /nfs/dbraw/zinc/38/54/90/492385490.db2.gz MVMFHQOQYYSVPF-UKRRQHHQSA-N 2 2 368.503 0.949 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000642754801 492387131 /nfs/dbraw/zinc/38/71/31/492387131.db2.gz QOOMETUQSJXQPD-IAGOWNOFSA-N 2 2 373.501 0.311 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000647976815 492389937 /nfs/dbraw/zinc/38/99/37/492389937.db2.gz UOZVEZVUEXBLAL-IKGGRYGDSA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000647976815 492389945 /nfs/dbraw/zinc/38/99/45/492389945.db2.gz UOZVEZVUEXBLAL-IKGGRYGDSA-N 2 2 371.547 0.734 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000642789296 492392775 /nfs/dbraw/zinc/39/27/75/492392775.db2.gz ZQSIXOTZZQNGOY-DZOHQFGASA-N 2 2 356.470 0.875 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000642789296 492392778 /nfs/dbraw/zinc/39/27/78/492392778.db2.gz ZQSIXOTZZQNGOY-DZOHQFGASA-N 2 2 356.470 0.875 20 0 FCADLP CN(C)c1cncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000635124154 492397391 /nfs/dbraw/zinc/39/73/91/492397391.db2.gz SRLSMSDBYZEROY-AWEZNQCLSA-N 2 2 374.489 0.371 20 0 FCADLP CN(C)c1cncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000635124154 492397394 /nfs/dbraw/zinc/39/73/94/492397394.db2.gz SRLSMSDBYZEROY-AWEZNQCLSA-N 2 2 374.489 0.371 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000642893376 492397496 /nfs/dbraw/zinc/39/74/96/492397496.db2.gz YLUMJAOPZUFNNL-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000621641617 492399262 /nfs/dbraw/zinc/39/92/62/492399262.db2.gz PQODGNYMIJBHTI-KRWDZBQOSA-N 2 2 350.507 0.923 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642902735 492399353 /nfs/dbraw/zinc/39/93/53/492399353.db2.gz YYRSJXAOMGXARQ-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642903233 492400047 /nfs/dbraw/zinc/40/00/47/492400047.db2.gz GATCVTKARBENRB-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000642921719 492404496 /nfs/dbraw/zinc/40/44/96/492404496.db2.gz YEQROVGLBVAMPI-IRXDYDNUSA-N 2 2 360.458 0.126 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642940942 492405863 /nfs/dbraw/zinc/40/58/63/492405863.db2.gz NBAVKLZZMUAVIG-NVXWUHKLSA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642940942 492405867 /nfs/dbraw/zinc/40/58/67/492405867.db2.gz NBAVKLZZMUAVIG-NVXWUHKLSA-N 3 2 367.538 0.103 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000648150335 492408793 /nfs/dbraw/zinc/40/87/93/492408793.db2.gz YUZWESUOCSCGAG-KBXCAEBGSA-N 2 2 354.495 0.189 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000648150335 492408796 /nfs/dbraw/zinc/40/87/96/492408796.db2.gz YUZWESUOCSCGAG-KBXCAEBGSA-N 2 2 354.495 0.189 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000643015555 492414613 /nfs/dbraw/zinc/41/46/13/492414613.db2.gz DRUVWWQCXKOZDT-RBSFLKMASA-N 2 2 373.501 0.933 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000635262840 492424437 /nfs/dbraw/zinc/42/44/37/492424437.db2.gz CSWSCCBKTTUUEQ-SFHVURJKSA-N 2 2 374.485 0.502 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000635262840 492424438 /nfs/dbraw/zinc/42/44/38/492424438.db2.gz CSWSCCBKTTUUEQ-SFHVURJKSA-N 2 2 374.485 0.502 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635265812 492425932 /nfs/dbraw/zinc/42/59/32/492425932.db2.gz VPKKDINGGZIFBA-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635265812 492425933 /nfs/dbraw/zinc/42/59/33/492425933.db2.gz VPKKDINGGZIFBA-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655443768 492443037 /nfs/dbraw/zinc/44/30/37/492443037.db2.gz YLBCJBWWHLTOII-KBXCAEBGSA-N 2 2 355.446 0.402 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028835 492443252 /nfs/dbraw/zinc/44/32/52/492443252.db2.gz WNLCXZYIAFJNKW-WRWLIDTKSA-N 2 2 371.485 0.627 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000622029159 492444279 /nfs/dbraw/zinc/44/42/79/492444279.db2.gz AYSMNVQPGSYQAB-PXNSSMCTSA-N 2 2 356.470 0.671 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000622031623 492446132 /nfs/dbraw/zinc/44/61/32/492446132.db2.gz QLVUGWWJQRNOAG-WFXMLNOXSA-N 2 2 370.497 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000622031623 492446134 /nfs/dbraw/zinc/44/61/34/492446134.db2.gz QLVUGWWJQRNOAG-WFXMLNOXSA-N 2 2 370.497 0.712 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000655500373 492448736 /nfs/dbraw/zinc/44/87/36/492448736.db2.gz SEJXORGOWPQVOA-UHFFFAOYSA-N 2 2 353.488 0.929 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000622132335 492456862 /nfs/dbraw/zinc/45/68/62/492456862.db2.gz DDEMLUFLTVQNAI-UHFFFAOYSA-N 2 2 357.462 0.808 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635499403 492459270 /nfs/dbraw/zinc/45/92/70/492459270.db2.gz BCNZJPCNECPKDN-MRXNPFEDSA-N 2 2 370.538 0.650 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635499403 492459274 /nfs/dbraw/zinc/45/92/74/492459274.db2.gz BCNZJPCNECPKDN-MRXNPFEDSA-N 2 2 370.538 0.650 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000635551194 492468683 /nfs/dbraw/zinc/46/86/83/492468683.db2.gz ZKWIFQSDURVFQS-HOTGVXAUSA-N 2 2 368.522 0.308 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550342 492469338 /nfs/dbraw/zinc/46/93/38/492469338.db2.gz UBBJQFAWSIJZMH-YESZJQIVSA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550342 492469341 /nfs/dbraw/zinc/46/93/41/492469341.db2.gz UBBJQFAWSIJZMH-YESZJQIVSA-N 2 2 368.522 0.450 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635562194 492472595 /nfs/dbraw/zinc/47/25/95/492472595.db2.gz XXEKNUGXQVJDEN-UHFFFAOYSA-N 3 2 354.539 0.829 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635562194 492472599 /nfs/dbraw/zinc/47/25/99/492472599.db2.gz XXEKNUGXQVJDEN-UHFFFAOYSA-N 3 2 354.539 0.829 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000643474093 492472557 /nfs/dbraw/zinc/47/25/57/492472557.db2.gz WMQONKIOEDXYAN-IRXDYDNUSA-N 2 2 371.485 0.578 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000643478418 492474244 /nfs/dbraw/zinc/47/42/44/492474244.db2.gz STJONNNSXZVZEK-XIRDDKMYSA-N 2 2 360.458 0.076 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000643478418 492474249 /nfs/dbraw/zinc/47/42/49/492474249.db2.gz STJONNNSXZVZEK-XIRDDKMYSA-N 2 2 360.458 0.076 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000643477896 492474331 /nfs/dbraw/zinc/47/43/31/492474331.db2.gz MUJLJQLHMONHRD-UHFFFAOYSA-N 2 2 350.488 0.732 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000643480135 492476190 /nfs/dbraw/zinc/47/61/90/492476190.db2.gz VGQJDDPQMYQMGZ-UHFFFAOYSA-N 2 2 372.391 0.767 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[NH2+][C@H](C(C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000628170036 492476333 /nfs/dbraw/zinc/47/63/33/492476333.db2.gz OWXLXUWZWJUUFF-BPUTZDHNSA-N 2 2 363.462 0.165 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000655734230 492478053 /nfs/dbraw/zinc/47/80/53/492478053.db2.gz CHOLAOLUFQFUBB-MRXNPFEDSA-N 2 2 368.503 0.593 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cnc3ccccc3n2)CN1CC[NH+]1CCOCC1 ZINC000628233862 492482313 /nfs/dbraw/zinc/48/23/13/492482313.db2.gz YWBGUZKVDOYTFZ-OAHLLOKOSA-N 2 2 355.442 0.653 20 0 FCADLP CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000649001503 492483163 /nfs/dbraw/zinc/48/31/63/492483163.db2.gz NUYLVSZHBNJZDD-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000649001503 492483166 /nfs/dbraw/zinc/48/31/66/492483166.db2.gz NUYLVSZHBNJZDD-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643514605 492487568 /nfs/dbraw/zinc/48/75/68/492487568.db2.gz ZYDDMIWZLSOPKM-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643514605 492487570 /nfs/dbraw/zinc/48/75/70/492487570.db2.gz ZYDDMIWZLSOPKM-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643541210 492494334 /nfs/dbraw/zinc/49/43/34/492494334.db2.gz ZVRAAQIGJKMRCA-QLFBSQMISA-N 2 2 363.462 0.531 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000643541421 492494452 /nfs/dbraw/zinc/49/44/52/492494452.db2.gz IWCNCOWXAWVLQR-JKSUJKDBSA-N 2 2 357.458 0.107 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643581076 492499265 /nfs/dbraw/zinc/49/92/65/492499265.db2.gz IORIRDBHAOIKLH-UONOGXRCSA-N 2 2 350.488 0.601 20 0 FCADLP NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)cc1 ZINC000649209834 492510953 /nfs/dbraw/zinc/51/09/53/492510953.db2.gz WLOSWKPYAPGTJT-KRWDZBQOSA-N 2 2 367.453 0.889 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000649285377 492522527 /nfs/dbraw/zinc/52/25/27/492522527.db2.gz UBCQELFSLYLMRJ-DOTOQJQBSA-N 2 2 367.413 0.804 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)c[nH+]2)CCO1 ZINC000649289241 492524127 /nfs/dbraw/zinc/52/41/27/492524127.db2.gz CXMOBGGZCKZDOO-ZFWWWQNUSA-N 2 2 371.445 0.363 20 0 FCADLP CC[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000628585308 492525931 /nfs/dbraw/zinc/52/59/31/492525931.db2.gz XHBFXWWMNJGJMD-PMPSAXMXSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000628585308 492525935 /nfs/dbraw/zinc/52/59/35/492525935.db2.gz XHBFXWWMNJGJMD-PMPSAXMXSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@H](CC)C1 ZINC000628585308 492525937 /nfs/dbraw/zinc/52/59/37/492525937.db2.gz XHBFXWWMNJGJMD-PMPSAXMXSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@H](CC)C1 ZINC000628585308 492525941 /nfs/dbraw/zinc/52/59/41/492525941.db2.gz XHBFXWWMNJGJMD-PMPSAXMXSA-N 2 2 354.495 0.332 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000635915173 492525929 /nfs/dbraw/zinc/52/59/29/492525929.db2.gz UFZISYODCDFAJU-OAHLLOKOSA-N 2 2 365.478 0.756 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000635915173 492525933 /nfs/dbraw/zinc/52/59/33/492525933.db2.gz UFZISYODCDFAJU-OAHLLOKOSA-N 2 2 365.478 0.756 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649303006 492527743 /nfs/dbraw/zinc/52/77/43/492527743.db2.gz NIWIMCRPMMUDDH-OAHLLOKOSA-N 2 2 356.430 0.897 20 0 FCADLP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000649309063 492529135 /nfs/dbraw/zinc/52/91/35/492529135.db2.gz SVCKDOWPCDVSAA-INIZCTEOSA-N 2 2 360.458 0.685 20 0 FCADLP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000649309064 492529146 /nfs/dbraw/zinc/52/91/46/492529146.db2.gz SVCKDOWPCDVSAA-MRXNPFEDSA-N 2 2 360.458 0.685 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000649309124 492529309 /nfs/dbraw/zinc/52/93/09/492529309.db2.gz ZYBMEYCDJZNJSO-YOEHRIQHSA-N 2 2 360.458 0.685 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CCc2ccccc21 ZINC000649335698 492537420 /nfs/dbraw/zinc/53/74/20/492537420.db2.gz STLQJQVTZXIJPL-MJGOQNOKSA-N 2 2 358.486 0.396 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CCc2ccccc21 ZINC000649335698 492537421 /nfs/dbraw/zinc/53/74/21/492537421.db2.gz STLQJQVTZXIJPL-MJGOQNOKSA-N 2 2 358.486 0.396 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)[nH+]c12 ZINC000649335822 492537720 /nfs/dbraw/zinc/53/77/20/492537720.db2.gz BAUBUUOTLJWORO-UHFFFAOYSA-N 2 2 364.471 0.468 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077630 492538868 /nfs/dbraw/zinc/53/88/68/492538868.db2.gz RZRKRNWNCSMUQS-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077630 492538874 /nfs/dbraw/zinc/53/88/74/492538874.db2.gz RZRKRNWNCSMUQS-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077630 492538879 /nfs/dbraw/zinc/53/88/79/492538879.db2.gz RZRKRNWNCSMUQS-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077630 492538882 /nfs/dbraw/zinc/53/88/82/492538882.db2.gz RZRKRNWNCSMUQS-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081982 492543399 /nfs/dbraw/zinc/54/33/99/492543399.db2.gz BDFJBUQNIBZLSA-UHDSXZAQSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081982 492543401 /nfs/dbraw/zinc/54/34/01/492543401.db2.gz BDFJBUQNIBZLSA-UHDSXZAQSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081982 492543405 /nfs/dbraw/zinc/54/34/05/492543405.db2.gz BDFJBUQNIBZLSA-UHDSXZAQSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081982 492543408 /nfs/dbraw/zinc/54/34/08/492543408.db2.gz BDFJBUQNIBZLSA-UHDSXZAQSA-N 2 2 366.506 0.153 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649351335 492544858 /nfs/dbraw/zinc/54/48/58/492544858.db2.gz NMLIPCKTNITLBF-KRWDZBQOSA-N 2 2 369.473 0.365 20 0 FCADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000649356140 492546987 /nfs/dbraw/zinc/54/69/87/492546987.db2.gz NEPNVRAONQXBTL-MSOLQXFVSA-N 2 2 371.485 0.469 20 0 FCADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000649356140 492546990 /nfs/dbraw/zinc/54/69/90/492546990.db2.gz NEPNVRAONQXBTL-MSOLQXFVSA-N 2 2 371.485 0.469 20 0 FCADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000649356141 492547182 /nfs/dbraw/zinc/54/71/82/492547182.db2.gz NEPNVRAONQXBTL-QZTJIDSGSA-N 2 2 371.485 0.469 20 0 FCADLP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000649356141 492547186 /nfs/dbraw/zinc/54/71/86/492547186.db2.gz NEPNVRAONQXBTL-QZTJIDSGSA-N 2 2 371.485 0.469 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccnn1Cc1cccs1 ZINC000649419535 492553797 /nfs/dbraw/zinc/55/37/97/492553797.db2.gz UMKJKKVEPFNGAW-OAHLLOKOSA-N 2 2 374.514 0.911 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccnn1Cc1cccs1 ZINC000649419535 492553799 /nfs/dbraw/zinc/55/37/99/492553799.db2.gz UMKJKKVEPFNGAW-OAHLLOKOSA-N 2 2 374.514 0.911 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)[NH+]2CCOCC2)s1 ZINC000643778070 492555801 /nfs/dbraw/zinc/55/58/01/492555801.db2.gz DQJIXBXPZOVLNY-HUUCEWRRSA-N 2 2 353.488 0.782 20 0 FCADLP C[N@@H+]1CC[C@@](N)(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799364 492564046 /nfs/dbraw/zinc/56/40/46/492564046.db2.gz ZVTBKPSIQIDSLI-BEFAXECRSA-N 2 2 359.474 0.695 20 0 FCADLP C[N@H+]1CC[C@@](N)(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799364 492564048 /nfs/dbraw/zinc/56/40/48/492564048.db2.gz ZVTBKPSIQIDSLI-BEFAXECRSA-N 2 2 359.474 0.695 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636253428 492570231 /nfs/dbraw/zinc/57/02/31/492570231.db2.gz KWAZZVCJKLQYLB-SFHVURJKSA-N 2 2 350.463 0.739 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636253428 492570234 /nfs/dbraw/zinc/57/02/34/492570234.db2.gz KWAZZVCJKLQYLB-SFHVURJKSA-N 2 2 350.463 0.739 20 0 FCADLP Nc1nc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc(N)[nH+]1 ZINC000623960714 492609243 /nfs/dbraw/zinc/60/92/43/492609243.db2.gz FFTWCRJUSUQCLK-LLVKDONJSA-N 2 2 351.817 0.988 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656354778 492609866 /nfs/dbraw/zinc/60/98/66/492609866.db2.gz HDSIDLDTPFAXHI-OWCLPIDISA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656354778 492609870 /nfs/dbraw/zinc/60/98/70/492609870.db2.gz HDSIDLDTPFAXHI-OWCLPIDISA-N 2 2 359.474 0.869 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000636526179 492610146 /nfs/dbraw/zinc/61/01/46/492610146.db2.gz LGLFHQJRTNTHHH-UHFFFAOYSA-N 2 2 371.441 0.517 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636558032 492621795 /nfs/dbraw/zinc/62/17/95/492621795.db2.gz IXZDMDPBZXQJRI-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000636576023 492627550 /nfs/dbraw/zinc/62/75/50/492627550.db2.gz RWLMZEVBQKMIBV-GFCCVEGCSA-N 2 2 361.471 0.993 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000636576023 492627553 /nfs/dbraw/zinc/62/75/53/492627553.db2.gz RWLMZEVBQKMIBV-GFCCVEGCSA-N 2 2 361.471 0.993 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596630 492633075 /nfs/dbraw/zinc/63/30/75/492633075.db2.gz UDJGMNDJAHCGQR-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000636596630 492633079 /nfs/dbraw/zinc/63/30/79/492633079.db2.gz UDJGMNDJAHCGQR-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596630 492633081 /nfs/dbraw/zinc/63/30/81/492633081.db2.gz UDJGMNDJAHCGQR-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596630 492633084 /nfs/dbraw/zinc/63/30/84/492633084.db2.gz UDJGMNDJAHCGQR-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000629568568 492646889 /nfs/dbraw/zinc/64/68/89/492646889.db2.gz UHPMISWHFLWQNG-CHWSQXEVSA-N 2 2 364.412 0.574 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000629568568 492646891 /nfs/dbraw/zinc/64/68/91/492646891.db2.gz UHPMISWHFLWQNG-CHWSQXEVSA-N 2 2 364.412 0.574 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)s1 ZINC000629571126 492648735 /nfs/dbraw/zinc/64/87/35/492648735.db2.gz QFDFPGIWKMZLDX-CQSZACIVSA-N 2 2 361.533 0.690 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000650559806 492649951 /nfs/dbraw/zinc/64/99/51/492649951.db2.gz LKMCFEVTPSJGFH-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000650643212 492658832 /nfs/dbraw/zinc/65/88/32/492658832.db2.gz YPSSSHVVYCMMRM-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000629607890 492658851 /nfs/dbraw/zinc/65/88/51/492658851.db2.gz RAMZLQMXLSBCEY-GOSISDBHSA-N 2 2 374.485 0.755 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000650643482 492659082 /nfs/dbraw/zinc/65/90/82/492659082.db2.gz FNELVOAKKFUSLL-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000650643482 492659086 /nfs/dbraw/zinc/65/90/86/492659086.db2.gz FNELVOAKKFUSLL-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)n1 ZINC000629652261 492661798 /nfs/dbraw/zinc/66/17/98/492661798.db2.gz FGHWPYMANYPVDR-UHFFFAOYSA-N 2 2 371.441 0.932 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000629787553 492672013 /nfs/dbraw/zinc/67/20/13/492672013.db2.gz FDBVJNLVKQVMQQ-UHFFFAOYSA-N 2 2 350.438 0.667 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000629787553 492672016 /nfs/dbraw/zinc/67/20/16/492672016.db2.gz FDBVJNLVKQVMQQ-UHFFFAOYSA-N 2 2 350.438 0.667 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000651138927 492714575 /nfs/dbraw/zinc/71/45/75/492714575.db2.gz VIWGCYOQCAKAEN-ALOPSCKCSA-N 2 2 354.495 0.602 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000651138927 492714579 /nfs/dbraw/zinc/71/45/79/492714579.db2.gz VIWGCYOQCAKAEN-ALOPSCKCSA-N 2 2 354.495 0.602 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000651150342 492714950 /nfs/dbraw/zinc/71/49/50/492714950.db2.gz NIENXLXVMPZZEI-UHFFFAOYSA-N 2 2 361.446 0.825 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C[N@H+]1C1CC1 ZINC000636907295 492725029 /nfs/dbraw/zinc/72/50/29/492725029.db2.gz MZFDEWLGCCGCTP-VCBZYWHSSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C[NH+]1C1CC1 ZINC000636907295 492725034 /nfs/dbraw/zinc/72/50/34/492725034.db2.gz MZFDEWLGCCGCTP-VCBZYWHSSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C[NH+]1C1CC1 ZINC000636907295 492725038 /nfs/dbraw/zinc/72/50/38/492725038.db2.gz MZFDEWLGCCGCTP-VCBZYWHSSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000644371412 492727686 /nfs/dbraw/zinc/72/76/86/492727686.db2.gz ZXPDGMBTOXSRBG-SIRPWMCASA-N 2 2 354.495 0.383 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000644371412 492727689 /nfs/dbraw/zinc/72/76/89/492727689.db2.gz ZXPDGMBTOXSRBG-SIRPWMCASA-N 2 2 354.495 0.383 20 0 FCADLP CN(C(=O)NCCN1CCCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651305614 492738470 /nfs/dbraw/zinc/73/84/70/492738470.db2.gz QDIRURAABNVOGY-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CN(C(=O)NCCN1CCCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651305614 492738473 /nfs/dbraw/zinc/73/84/73/492738473.db2.gz QDIRURAABNVOGY-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N[C@H]2CCC[N@H+](CC)C2)[C@@H]1c1[nH+]ccn1C ZINC000625298513 492752581 /nfs/dbraw/zinc/75/25/81/492752581.db2.gz QBUKVFAHZPNDIM-NUEKZKHPSA-N 2 2 363.462 0.309 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC)C2)[C@@H]1c1[nH+]ccn1C ZINC000625298513 492752587 /nfs/dbraw/zinc/75/25/87/492752587.db2.gz QBUKVFAHZPNDIM-NUEKZKHPSA-N 2 2 363.462 0.309 20 0 FCADLP CN(C(=O)NCC[C@@]1(O)CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651444392 492758495 /nfs/dbraw/zinc/75/84/95/492758495.db2.gz HLTXDPCWSBPXHF-HKUYNNGSSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C(=O)NCC[C@@]1(O)CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651444392 492758498 /nfs/dbraw/zinc/75/84/98/492758498.db2.gz HLTXDPCWSBPXHF-HKUYNNGSSA-N 2 2 368.522 0.728 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000644519371 492780113 /nfs/dbraw/zinc/78/01/13/492780113.db2.gz QMLWJXSUBYGTNS-MRXNPFEDSA-N 2 2 357.520 0.787 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000644519371 492780114 /nfs/dbraw/zinc/78/01/14/492780114.db2.gz QMLWJXSUBYGTNS-MRXNPFEDSA-N 2 2 357.520 0.787 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000644569746 492785845 /nfs/dbraw/zinc/78/58/45/492785845.db2.gz UDGTXWXQTOZOKZ-RBUKOAKNSA-N 2 2 363.502 0.731 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580138 492787414 /nfs/dbraw/zinc/78/74/14/492787414.db2.gz WESYUDPJRHOZHU-MNEFBYGVSA-N 2 2 371.485 0.996 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580138 492787419 /nfs/dbraw/zinc/78/74/19/492787419.db2.gz WESYUDPJRHOZHU-MNEFBYGVSA-N 2 2 371.485 0.996 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657743425 492788034 /nfs/dbraw/zinc/78/80/34/492788034.db2.gz BFKZHXLLXIWMBP-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2[nH+]1 ZINC000657771535 492793489 /nfs/dbraw/zinc/79/34/89/492793489.db2.gz JWOLHKVWXBHZKP-CVEARBPZSA-N 2 2 371.441 0.639 20 0 FCADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637261123 492801438 /nfs/dbraw/zinc/80/14/38/492801438.db2.gz QGVSVVFSOGBQGJ-GOSISDBHSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637261123 492801442 /nfs/dbraw/zinc/80/14/42/492801442.db2.gz QGVSVVFSOGBQGJ-GOSISDBHSA-N 2 2 368.522 0.849 20 0 FCADLP CCn1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000657839618 492801599 /nfs/dbraw/zinc/80/15/99/492801599.db2.gz XKBBVCDKQCRUME-HNNXBMFYSA-N 2 2 362.478 0.468 20 0 FCADLP CCn1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000657839618 492801602 /nfs/dbraw/zinc/80/16/02/492801602.db2.gz XKBBVCDKQCRUME-HNNXBMFYSA-N 2 2 362.478 0.468 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283531 492805166 /nfs/dbraw/zinc/80/51/66/492805166.db2.gz USQCJTORRYKCNM-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283531 492805169 /nfs/dbraw/zinc/80/51/69/492805169.db2.gz USQCJTORRYKCNM-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637283531 492805174 /nfs/dbraw/zinc/80/51/74/492805174.db2.gz USQCJTORRYKCNM-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637283531 492805179 /nfs/dbraw/zinc/80/51/79/492805179.db2.gz USQCJTORRYKCNM-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP c1nnn(-c2ccccc2)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651710610 492810780 /nfs/dbraw/zinc/81/07/80/492810780.db2.gz ICCNQSVXESEIBI-QGZVFWFLSA-N 2 2 356.474 0.763 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631317725 492812490 /nfs/dbraw/zinc/81/24/90/492812490.db2.gz NFTNRUTYBAXKPS-UHFFFAOYSA-N 2 2 373.505 0.753 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637373175 492813104 /nfs/dbraw/zinc/81/31/04/492813104.db2.gz OAZWHHRJZSUDSY-XHSDSOJGSA-N 2 2 369.510 0.077 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637373175 492813107 /nfs/dbraw/zinc/81/31/07/492813107.db2.gz OAZWHHRJZSUDSY-XHSDSOJGSA-N 2 2 369.510 0.077 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637373175 492813110 /nfs/dbraw/zinc/81/31/10/492813110.db2.gz OAZWHHRJZSUDSY-XHSDSOJGSA-N 2 2 369.510 0.077 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637373175 492813112 /nfs/dbraw/zinc/81/31/12/492813112.db2.gz OAZWHHRJZSUDSY-XHSDSOJGSA-N 2 2 369.510 0.077 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)cc2[nH+]1 ZINC000657990665 492826822 /nfs/dbraw/zinc/82/68/22/492826822.db2.gz QIVYXNMTMKSELV-OKILXGFUSA-N 2 2 359.430 0.495 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)cc2[nH+]1 ZINC000657990665 492826823 /nfs/dbraw/zinc/82/68/23/492826823.db2.gz QIVYXNMTMKSELV-OKILXGFUSA-N 2 2 359.430 0.495 20 0 FCADLP CCNC(=O)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000644941734 492831678 /nfs/dbraw/zinc/83/16/78/492831678.db2.gz AETIECZEJYGPTP-HOCLYGCPSA-N 2 2 353.511 0.615 20 0 FCADLP CCNC(=O)[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000644941734 492831681 /nfs/dbraw/zinc/83/16/81/492831681.db2.gz AETIECZEJYGPTP-HOCLYGCPSA-N 2 2 353.511 0.615 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000644997123 492837387 /nfs/dbraw/zinc/83/73/87/492837387.db2.gz RMQCQNAXPLNRIK-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000644997123 492837394 /nfs/dbraw/zinc/83/73/94/492837394.db2.gz RMQCQNAXPLNRIK-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631737269 492844219 /nfs/dbraw/zinc/84/42/19/492844219.db2.gz KPBUNCXEJJGZCY-UHFFFAOYSA-N 2 2 374.551 0.382 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000631860381 492865822 /nfs/dbraw/zinc/86/58/22/492865822.db2.gz JYFRQPPJUFHRMJ-YJBOKZPZSA-N 2 2 358.486 0.687 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000631909753 492875666 /nfs/dbraw/zinc/87/56/66/492875666.db2.gz ONBGJKUEBLCNDP-QGZVFWFLSA-N 2 2 352.504 0.904 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000631909753 492875669 /nfs/dbraw/zinc/87/56/69/492875669.db2.gz ONBGJKUEBLCNDP-QGZVFWFLSA-N 2 2 352.504 0.904 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652128005 492883548 /nfs/dbraw/zinc/88/35/48/492883548.db2.gz LQCWBXUNPVEXOW-YYIAUSFCSA-N 2 2 354.495 0.635 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000652137307 492885108 /nfs/dbraw/zinc/88/51/08/492885108.db2.gz GQOVWNDFSMJYMV-KRWDZBQOSA-N 2 2 356.536 0.883 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000625842030 492893938 /nfs/dbraw/zinc/89/39/38/492893938.db2.gz NBULZMNSPFKUMM-AWEZNQCLSA-N 2 2 361.446 0.184 20 0 FCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000638055312 492897983 /nfs/dbraw/zinc/89/79/83/492897983.db2.gz KJJJIZZOVBKLFC-XLIONFOSSA-N 2 2 374.485 0.973 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638069822 492899628 /nfs/dbraw/zinc/89/96/28/492899628.db2.gz UJOVTISPLOOULE-SFHVURJKSA-N 2 2 362.474 0.802 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000638102559 492905387 /nfs/dbraw/zinc/90/53/87/492905387.db2.gz JJBVXZGRRXNFTE-GOSISDBHSA-N 2 2 373.457 0.732 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccoc1 ZINC000658495448 492913908 /nfs/dbraw/zinc/91/39/08/492913908.db2.gz QVLYPYXCYKYBQG-UHFFFAOYSA-N 2 2 350.463 0.423 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccoc1 ZINC000658495448 492913909 /nfs/dbraw/zinc/91/39/09/492913909.db2.gz QVLYPYXCYKYBQG-UHFFFAOYSA-N 2 2 350.463 0.423 20 0 FCADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353476 492914080 /nfs/dbraw/zinc/91/40/80/492914080.db2.gz LMMZMTXYGXECPS-SWLSCSKDSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353476 492914085 /nfs/dbraw/zinc/91/40/85/492914085.db2.gz LMMZMTXYGXECPS-SWLSCSKDSA-N 2 2 354.476 0.722 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352200 492914452 /nfs/dbraw/zinc/91/44/52/492914452.db2.gz RPTLAVVZPUWPHB-GUYCJALGSA-N 2 2 366.487 0.642 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352200 492914455 /nfs/dbraw/zinc/91/44/55/492914455.db2.gz RPTLAVVZPUWPHB-GUYCJALGSA-N 2 2 366.487 0.642 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350777 492914600 /nfs/dbraw/zinc/91/46/00/492914600.db2.gz HRJAETUXARLCPX-IGCXYCKISA-N 2 2 366.487 0.722 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350777 492914602 /nfs/dbraw/zinc/91/46/02/492914602.db2.gz HRJAETUXARLCPX-IGCXYCKISA-N 2 2 366.487 0.722 20 0 FCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000638137977 492915499 /nfs/dbraw/zinc/91/54/99/492915499.db2.gz RWFHXNZOYYTXGE-IEBWSBKVSA-N 2 2 364.465 0.831 20 0 FCADLP C[NH+]1CCN(Cc2ccc(CNC(=O)c3cnc(C[NH3+])nc3)cc2)CC1 ZINC000638137075 492915999 /nfs/dbraw/zinc/91/59/99/492915999.db2.gz QZNRVXJPESAZHV-UHFFFAOYSA-N 2 2 354.458 0.613 20 0 FCADLP CN1CC[NH+](Cc2ccc(CNC(=O)c3cnc(C[NH3+])nc3)cc2)CC1 ZINC000638137075 492916004 /nfs/dbraw/zinc/91/60/04/492916004.db2.gz QZNRVXJPESAZHV-UHFFFAOYSA-N 2 2 354.458 0.613 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363320 492916048 /nfs/dbraw/zinc/91/60/48/492916048.db2.gz AYOLDGBJUKXCFZ-IKGGRYGDSA-N 2 2 364.494 0.961 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nnnn2CC2CCOCC2)C1 ZINC000652363320 492916052 /nfs/dbraw/zinc/91/60/52/492916052.db2.gz AYOLDGBJUKXCFZ-IKGGRYGDSA-N 2 2 364.494 0.961 20 0 FCADLP CN1CC[NH+]([C@@H](CNC(=O)CN2CC[NH2+]CC2)c2cccs2)CC1 ZINC000638136570 492916099 /nfs/dbraw/zinc/91/60/99/492916099.db2.gz ZXTDOCHNZXZCRF-HNNXBMFYSA-N 2 2 351.520 0.058 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000638142047 492917319 /nfs/dbraw/zinc/91/73/19/492917319.db2.gz XLCWAUUOLVVEIC-GOSISDBHSA-N 2 2 357.458 0.643 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000638185474 492922216 /nfs/dbraw/zinc/92/22/16/492922216.db2.gz WCPRKCDEPVLNJX-OAGGEKHMSA-N 2 2 351.495 0.452 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H](CC[NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000638216224 492923198 /nfs/dbraw/zinc/92/31/98/492923198.db2.gz GUOYINOOYAIAAV-KBMXLJTQSA-N 2 2 363.462 0.296 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2C)[C@@H]1c1[nH+]ccn1C ZINC000626059148 492923916 /nfs/dbraw/zinc/92/39/16/492923916.db2.gz DMJNXTTVUDNPBK-SJXGUFTOSA-N 2 2 363.462 0.165 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2C)[C@@H]1c1[nH+]ccn1C ZINC000626059148 492923920 /nfs/dbraw/zinc/92/39/20/492923920.db2.gz DMJNXTTVUDNPBK-SJXGUFTOSA-N 2 2 363.462 0.165 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000652457196 492937551 /nfs/dbraw/zinc/93/75/51/492937551.db2.gz QPZFMHOKPIODIU-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632145816 492938194 /nfs/dbraw/zinc/93/81/94/492938194.db2.gz PTWNBWZFGOPQDX-HNNXBMFYSA-N 2 2 355.508 0.177 20 0 FCADLP CC(=O)NC[C@@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626157922 492939046 /nfs/dbraw/zinc/93/90/46/492939046.db2.gz FEFUYFBUIFPXKC-ROUUACIJSA-N 2 2 368.522 0.329 20 0 FCADLP CC(=O)NC[C@@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626157922 492939049 /nfs/dbraw/zinc/93/90/49/492939049.db2.gz FEFUYFBUIFPXKC-ROUUACIJSA-N 2 2 368.522 0.329 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000638445911 492948101 /nfs/dbraw/zinc/94/81/01/492948101.db2.gz KFJIKKZDWIVJMQ-SFHVURJKSA-N 2 2 361.486 0.459 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658562109 492955987 /nfs/dbraw/zinc/95/59/87/492955987.db2.gz CTGPUGQDHKPJEH-MRXNPFEDSA-N 2 2 358.486 0.739 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658562109 492955991 /nfs/dbraw/zinc/95/59/91/492955991.db2.gz CTGPUGQDHKPJEH-MRXNPFEDSA-N 2 2 358.486 0.739 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000632287697 492966272 /nfs/dbraw/zinc/96/62/72/492966272.db2.gz SIRWJEILLLDSHF-QGZVFWFLSA-N 2 2 368.503 0.502 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000652667572 492983233 /nfs/dbraw/zinc/98/32/33/492983233.db2.gz WQTUCQQAXHTGLJ-UHFFFAOYSA-N 2 2 355.442 0.994 20 0 FCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658639473 492988641 /nfs/dbraw/zinc/98/86/41/492988641.db2.gz FGPZHVJWQQBSLX-KRWDZBQOSA-N 2 2 368.522 0.500 20 0 FCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccnc1N1CCOCC1 ZINC000638986317 492990418 /nfs/dbraw/zinc/99/04/18/492990418.db2.gz KFQOGNWVTLRTRJ-UHFFFAOYSA-N 2 2 368.441 0.975 20 0 FCADLP NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639087797 492996401 /nfs/dbraw/zinc/99/64/01/492996401.db2.gz NCYJVOWJSWWAGA-QGZVFWFLSA-N 2 2 369.487 0.260 20 0 FCADLP NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639087797 492996406 /nfs/dbraw/zinc/99/64/06/492996406.db2.gz NCYJVOWJSWWAGA-QGZVFWFLSA-N 2 2 369.487 0.260 20 0 FCADLP COCC(COC)[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632453904 493000104 /nfs/dbraw/zinc/00/01/04/493000104.db2.gz MKDKHVONPHVYLM-UHFFFAOYSA-N 2 2 363.524 0.081 20 0 FCADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000639344516 493007104 /nfs/dbraw/zinc/00/71/04/493007104.db2.gz WCGJZPSJRSJMPP-LJQANCHMSA-N 2 2 350.459 0.981 20 0 FCADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000639344516 493007105 /nfs/dbraw/zinc/00/71/05/493007105.db2.gz WCGJZPSJRSJMPP-LJQANCHMSA-N 2 2 350.459 0.981 20 0 FCADLP O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000646049619 493008406 /nfs/dbraw/zinc/00/84/06/493008406.db2.gz PMELCEFULQQHFH-INIZCTEOSA-N 2 2 374.489 0.494 20 0 FCADLP O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000646049619 493008410 /nfs/dbraw/zinc/00/84/10/493008410.db2.gz PMELCEFULQQHFH-INIZCTEOSA-N 2 2 374.489 0.494 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)[C@H]1c1[nH+]ccn1C ZINC000626724970 493012270 /nfs/dbraw/zinc/01/22/70/493012270.db2.gz WHSWHTSKYPXNRP-SDADXPQNSA-N 2 2 363.462 0.307 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)[C@H]1c1[nH+]ccn1C ZINC000626724970 493012277 /nfs/dbraw/zinc/01/22/77/493012277.db2.gz WHSWHTSKYPXNRP-SDADXPQNSA-N 2 2 363.462 0.307 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736954 493013647 /nfs/dbraw/zinc/01/36/47/493013647.db2.gz UZNUARCAQYMRMN-MOPGFXCFSA-N 2 2 372.513 0.959 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736954 493013649 /nfs/dbraw/zinc/01/36/49/493013649.db2.gz UZNUARCAQYMRMN-MOPGFXCFSA-N 2 2 372.513 0.959 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658701889 493016399 /nfs/dbraw/zinc/01/63/99/493016399.db2.gz XFJCZYCZMIMQCD-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658701889 493016404 /nfs/dbraw/zinc/01/64/04/493016404.db2.gz XFJCZYCZMIMQCD-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP CN1C(=O)NC2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000639552181 493020198 /nfs/dbraw/zinc/02/01/98/493020198.db2.gz SRZKJCZHLBOZSL-LJQANCHMSA-N 2 2 372.469 0.640 20 0 FCADLP CN1C(=O)NC2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000639552181 493020202 /nfs/dbraw/zinc/02/02/02/493020202.db2.gz SRZKJCZHLBOZSL-LJQANCHMSA-N 2 2 372.469 0.640 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)COCC[NH3+])CC2)cc(OC)c1OC ZINC000646169274 493022630 /nfs/dbraw/zinc/02/26/30/493022630.db2.gz SGDDFSDBXJJDAA-UHFFFAOYSA-N 2 2 367.446 0.332 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](CO)C[NH+](C)C)CC2 ZINC000646211981 493028300 /nfs/dbraw/zinc/02/83/00/493028300.db2.gz IWIYYQSKFMBKOB-HNNXBMFYSA-N 2 2 351.447 0.101 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](CO)C[NH+](C)C)CC2 ZINC000646211981 493028302 /nfs/dbraw/zinc/02/83/02/493028302.db2.gz IWIYYQSKFMBKOB-HNNXBMFYSA-N 2 2 351.447 0.101 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cn21 ZINC000646234120 493031359 /nfs/dbraw/zinc/03/13/59/493031359.db2.gz CXOHRYMCVLLATL-QGZVFWFLSA-N 2 2 356.474 0.874 20 0 FCADLP Cc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nnn1C1CC[NH2+]CC1 ZINC000646265251 493033925 /nfs/dbraw/zinc/03/39/25/493033925.db2.gz QEGXPOOSQPGUFS-AWEZNQCLSA-N 2 2 355.446 0.915 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1CCO ZINC000658738330 493037833 /nfs/dbraw/zinc/03/78/33/493037833.db2.gz RGNKHYWULMABTA-CQSZACIVSA-N 2 2 363.462 0.031 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1CCO ZINC000658738330 493037836 /nfs/dbraw/zinc/03/78/36/493037836.db2.gz RGNKHYWULMABTA-CQSZACIVSA-N 2 2 363.462 0.031 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858894 493059478 /nfs/dbraw/zinc/05/94/78/493059478.db2.gz ZZNYCYXEGSBVHQ-WMLDXEAASA-N 2 2 353.488 0.210 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858894 493059479 /nfs/dbraw/zinc/05/94/79/493059479.db2.gz ZZNYCYXEGSBVHQ-WMLDXEAASA-N 2 2 353.488 0.210 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626925685 493065165 /nfs/dbraw/zinc/06/51/65/493065165.db2.gz PFVDGXIRIVRIFV-OAHLLOKOSA-N 2 2 368.445 0.970 20 0 FCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)N(C)C ZINC000653069253 493066390 /nfs/dbraw/zinc/06/63/90/493066390.db2.gz HUXHBACZFAQWGA-JKSUJKDBSA-N 2 2 364.490 1.000 20 0 FCADLP COCCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1Cl ZINC000653074460 493066835 /nfs/dbraw/zinc/06/68/35/493066835.db2.gz IKQAUALQGDPBHY-AWEZNQCLSA-N 2 2 356.854 0.934 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000653079078 493068159 /nfs/dbraw/zinc/06/81/59/493068159.db2.gz SCQXQYFKZIKQEG-CQSZACIVSA-N 2 2 370.519 0.659 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000626943734 493068368 /nfs/dbraw/zinc/06/83/68/493068368.db2.gz HXKSNJRTJOCWPT-QZTJIDSGSA-N 2 2 362.474 0.656 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000653098355 493069574 /nfs/dbraw/zinc/06/95/74/493069574.db2.gz KRYYEXLUQPDXRT-DOMZBBRYSA-N 2 2 360.380 0.801 20 0 FCADLP Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653097776 493069646 /nfs/dbraw/zinc/06/96/46/493069646.db2.gz UJHCJJFBVSIVCB-HNNXBMFYSA-N 2 2 356.492 0.011 20 0 FCADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000653094457 493069710 /nfs/dbraw/zinc/06/97/10/493069710.db2.gz GIJARSFGSHWCQV-CQSZACIVSA-N 2 2 354.476 0.653 20 0 FCADLP COc1ccc(CN2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1F ZINC000653106039 493070544 /nfs/dbraw/zinc/07/05/44/493070544.db2.gz QPVUZGLHAYTJQL-MRXNPFEDSA-N 2 2 352.454 0.758 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000653104997 493070568 /nfs/dbraw/zinc/07/05/68/493070568.db2.gz AJJXQOZPZBVJBU-IAGOWNOFSA-N 2 2 352.454 0.594 20 0 FCADLP COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)N2CCOCC2)cc1 ZINC000653105334 493070843 /nfs/dbraw/zinc/07/08/43/493070843.db2.gz QPVKUFWDQDSYLO-ZWKOTPCHSA-N 2 2 364.490 0.464 20 0 FCADLP C[C@@H]1CN(Cc2csc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000653107592 493071417 /nfs/dbraw/zinc/07/14/17/493071417.db2.gz PRNOXFHTVLMZEN-SCRDCRAPSA-N 2 2 355.508 0.970 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000626975887 493072647 /nfs/dbraw/zinc/07/26/47/493072647.db2.gz ICFFIJZDAMBOIQ-ROUUACIJSA-N 2 2 362.474 0.218 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000653147887 493077421 /nfs/dbraw/zinc/07/74/21/493077421.db2.gz FEJLXYDKNDPWJO-OAHLLOKOSA-N 2 2 351.426 0.781 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000653147886 493077445 /nfs/dbraw/zinc/07/74/45/493077445.db2.gz FEJLXYDKNDPWJO-HNNXBMFYSA-N 2 2 351.426 0.781 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000653154473 493079141 /nfs/dbraw/zinc/07/91/41/493079141.db2.gz SYLSRLPVGCGSNP-KGLIPLIRSA-N 2 2 372.391 0.984 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COCc1ccccc1Cl ZINC000640049266 493079905 /nfs/dbraw/zinc/07/99/05/493079905.db2.gz KYLHZIKUCPXEBG-MRXNPFEDSA-N 2 2 369.893 0.923 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COCc1ccccc1Cl ZINC000640049266 493079906 /nfs/dbraw/zinc/07/99/06/493079906.db2.gz KYLHZIKUCPXEBG-MRXNPFEDSA-N 2 2 369.893 0.923 20 0 FCADLP C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653161116 493080607 /nfs/dbraw/zinc/08/06/07/493080607.db2.gz DITQLMMJHPWHSX-ZFWWWQNUSA-N 2 2 356.492 0.139 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653184651 493081742 /nfs/dbraw/zinc/08/17/42/493081742.db2.gz RQLUECIQWQEBOP-JYJNAYRXSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653184651 493081743 /nfs/dbraw/zinc/08/17/43/493081743.db2.gz RQLUECIQWQEBOP-JYJNAYRXSA-N 2 2 354.495 0.188 20 0 FCADLP CCN1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1=O ZINC000653250883 493086056 /nfs/dbraw/zinc/08/60/56/493086056.db2.gz LFXPZUPDXZQOQN-AEFFLSMTSA-N 2 2 369.469 0.786 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000653274798 493087731 /nfs/dbraw/zinc/08/77/31/493087731.db2.gz OPKFOSVNRKBXFB-OQSMONGASA-N 2 2 353.507 0.947 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)cn1 ZINC000632876777 493094378 /nfs/dbraw/zinc/09/43/78/493094378.db2.gz YAAFVFWSKQUQEQ-UHFFFAOYSA-N 2 2 361.450 0.744 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC000632998366 493100407 /nfs/dbraw/zinc/10/04/07/493100407.db2.gz NPCIXHDDUWPQTD-HNNXBMFYSA-N 2 2 360.462 0.229 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653376028 493107259 /nfs/dbraw/zinc/10/72/59/493107259.db2.gz SOFGWKLLJHPCTO-FUHWJXTLSA-N 2 2 369.469 0.773 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633099691 493124947 /nfs/dbraw/zinc/12/49/47/493124947.db2.gz CKLLEUMGJZLRBH-CWRNSKLLSA-N 2 2 362.499 0.916 20 0 FCADLP CC(C)(CNC(=O)Cn1cc(C[NH+]2CCCC2)nn1)[NH+]1CCOCC1 ZINC000640865497 493140276 /nfs/dbraw/zinc/14/02/76/493140276.db2.gz FKMGMOKQBFCBEF-UHFFFAOYSA-N 2 2 350.467 0.101 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647028492 493148512 /nfs/dbraw/zinc/14/85/12/493148512.db2.gz SUZDJYCZQSSETG-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647028492 493148515 /nfs/dbraw/zinc/14/85/15/493148515.db2.gz SUZDJYCZQSSETG-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000647082124 493159429 /nfs/dbraw/zinc/15/94/29/493159429.db2.gz KLSIGZLAKDOPTA-CRAIPNDOSA-N 2 2 364.465 0.831 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000653557978 493159606 /nfs/dbraw/zinc/15/96/06/493159606.db2.gz QEXDALDLESWIJK-INIZCTEOSA-N 2 2 366.481 0.486 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000653557978 493159610 /nfs/dbraw/zinc/15/96/10/493159610.db2.gz QEXDALDLESWIJK-INIZCTEOSA-N 2 2 366.481 0.486 20 0 FCADLP CC(C)S(=O)(=O)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090509 493160865 /nfs/dbraw/zinc/16/08/65/493160865.db2.gz DZGSPFGNQZAKLV-UHFFFAOYSA-N 2 2 367.515 0.919 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)Cn3cc(CC[NH3+])nn3)CC2)cc1 ZINC000641029547 493162308 /nfs/dbraw/zinc/16/23/08/493162308.db2.gz WDAREVZFQWLUGE-UHFFFAOYSA-N 2 2 358.446 0.132 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(CCO)CC(C)(C)C ZINC000659400278 493164841 /nfs/dbraw/zinc/16/48/41/493164841.db2.gz ANGDMKFNSFCGBZ-UHFFFAOYSA-N 2 2 370.538 0.338 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(CCO)CC(C)(C)C ZINC000659400278 493164849 /nfs/dbraw/zinc/16/48/49/493164849.db2.gz ANGDMKFNSFCGBZ-UHFFFAOYSA-N 2 2 370.538 0.338 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000627351407 493170659 /nfs/dbraw/zinc/17/06/59/493170659.db2.gz RBUBIEUGABJTBJ-SFHVURJKSA-N 2 2 358.486 0.617 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000627351407 493170665 /nfs/dbraw/zinc/17/06/65/493170665.db2.gz RBUBIEUGABJTBJ-SFHVURJKSA-N 2 2 358.486 0.617 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641171591 493175448 /nfs/dbraw/zinc/17/54/48/493175448.db2.gz SNKMGUYJEORRKM-HNNXBMFYSA-N 2 2 366.429 0.828 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000659445974 493180556 /nfs/dbraw/zinc/18/05/56/493180556.db2.gz KUQQOGFSEAOMNA-OAHLLOKOSA-N 2 2 350.463 0.805 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1)N1CCCC1 ZINC000681551300 493185632 /nfs/dbraw/zinc/18/56/32/493185632.db2.gz FDTYDJMJNSPWEG-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1)N1CCCC1 ZINC000681551300 493185641 /nfs/dbraw/zinc/18/56/41/493185641.db2.gz FDTYDJMJNSPWEG-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@]3(C(N)=O)CCOC3)CC2)cc1 ZINC000653841469 493189134 /nfs/dbraw/zinc/18/91/34/493189134.db2.gz DPLAKYROQLRQMT-HXUWFJFHSA-N 2 2 374.485 0.263 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@]3(C(N)=O)CCOC3)CC2)cc1 ZINC000653841469 493189140 /nfs/dbraw/zinc/18/91/40/493189140.db2.gz DPLAKYROQLRQMT-HXUWFJFHSA-N 2 2 374.485 0.263 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n1C ZINC000672525181 493190282 /nfs/dbraw/zinc/19/02/82/493190282.db2.gz PWSPVZILCGYSNX-CYBMUJFWSA-N 2 2 359.434 0.163 20 0 FCADLP C[C@H](O)C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000653897817 493194029 /nfs/dbraw/zinc/19/40/29/493194029.db2.gz UGAASIZYUBWMGW-INIZCTEOSA-N 2 2 353.507 0.983 20 0 FCADLP C[C@H](O)C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000653897817 493194032 /nfs/dbraw/zinc/19/40/32/493194032.db2.gz UGAASIZYUBWMGW-INIZCTEOSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCN1CC[NH2+]CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659506007 493202211 /nfs/dbraw/zinc/20/22/11/493202211.db2.gz JFSIUXUGUOZAQN-UHFFFAOYSA-N 2 2 353.511 0.036 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C)[C@@H]1CCC[NH2+]C1 ZINC000659511042 493203460 /nfs/dbraw/zinc/20/34/60/493203460.db2.gz NUBRWNGYUZDLGP-DSJMHWKBSA-N 2 2 362.478 0.769 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000659522508 493205603 /nfs/dbraw/zinc/20/56/03/493205603.db2.gz LPTHFOMQRXHKJW-TZMCWYRMSA-N 2 2 350.467 0.899 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672591943 493210509 /nfs/dbraw/zinc/21/05/09/493210509.db2.gz YJZHLJBAUHRATD-VQIMIIECSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672591943 493210513 /nfs/dbraw/zinc/21/05/13/493210513.db2.gz YJZHLJBAUHRATD-VQIMIIECSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664314 493212387 /nfs/dbraw/zinc/21/23/87/493212387.db2.gz ZPYWFZOMTJKUQR-AEFFLSMTSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664314 493212391 /nfs/dbraw/zinc/21/23/91/493212391.db2.gz ZPYWFZOMTJKUQR-AEFFLSMTSA-N 2 2 368.522 0.728 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC(=O)N1C ZINC000659557625 493212837 /nfs/dbraw/zinc/21/28/37/493212837.db2.gz SXSDOVCMTWFCQF-NPCUJANDSA-N 2 2 374.489 0.769 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000672597620 493213490 /nfs/dbraw/zinc/21/34/90/493213490.db2.gz MTJSHCKOXGXJPW-IRXDYDNUSA-N 2 2 368.522 0.593 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000672597620 493213493 /nfs/dbraw/zinc/21/34/93/493213493.db2.gz MTJSHCKOXGXJPW-IRXDYDNUSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000666674548 493213883 /nfs/dbraw/zinc/21/38/83/493213883.db2.gz VWJUBEWJGKHPDH-QGZVFWFLSA-N 3 2 360.506 0.853 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659569827 493215383 /nfs/dbraw/zinc/21/53/83/493215383.db2.gz CFZXUMCCPJNSTE-INIZCTEOSA-N 2 2 365.522 0.986 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000672637958 493219838 /nfs/dbraw/zinc/21/98/38/493219838.db2.gz AZDBHQKRHZPSPI-GOEBONIOSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000672637958 493219839 /nfs/dbraw/zinc/21/98/39/493219839.db2.gz AZDBHQKRHZPSPI-GOEBONIOSA-N 2 2 366.506 0.033 20 0 FCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637872 493220019 /nfs/dbraw/zinc/22/00/19/493220019.db2.gz OQXDROVSSNCJBO-KXBFYZLASA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637872 493220022 /nfs/dbraw/zinc/22/00/22/493220022.db2.gz OQXDROVSSNCJBO-KXBFYZLASA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H]1N(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637739 493220599 /nfs/dbraw/zinc/22/05/99/493220599.db2.gz NWOATNVUHNBAOR-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1N(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637739 493220600 /nfs/dbraw/zinc/22/06/00/493220600.db2.gz NWOATNVUHNBAOR-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639033 493221577 /nfs/dbraw/zinc/22/15/77/493221577.db2.gz XWGBXCASRIZXON-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639033 493221582 /nfs/dbraw/zinc/22/15/82/493221582.db2.gz XWGBXCASRIZXON-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638348 493222603 /nfs/dbraw/zinc/22/26/03/493222603.db2.gz OZJZKGLCNHQQOA-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638348 493222607 /nfs/dbraw/zinc/22/26/07/493222607.db2.gz OZJZKGLCNHQQOA-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638380 493222683 /nfs/dbraw/zinc/22/26/83/493222683.db2.gz FHIKFPGALSYVCD-HNAYVOBHSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638380 493222686 /nfs/dbraw/zinc/22/26/86/493222686.db2.gz FHIKFPGALSYVCD-HNAYVOBHSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638699 493222743 /nfs/dbraw/zinc/22/27/43/493222743.db2.gz HKLWUKGQBLOJHV-UXLLHSPISA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638699 493222746 /nfs/dbraw/zinc/22/27/46/493222746.db2.gz HKLWUKGQBLOJHV-UXLLHSPISA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000672638684 493222990 /nfs/dbraw/zinc/22/29/90/493222990.db2.gz HDHPJUQSCOKPSN-MRXNPFEDSA-N 2 2 362.518 0.824 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000672638684 493222992 /nfs/dbraw/zinc/22/29/92/493222992.db2.gz HDHPJUQSCOKPSN-MRXNPFEDSA-N 2 2 362.518 0.824 20 0 FCADLP COC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640792 493223960 /nfs/dbraw/zinc/22/39/60/493223960.db2.gz AJGRRRXWHRMWCG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP COC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640792 493223964 /nfs/dbraw/zinc/22/39/64/493223964.db2.gz AJGRRRXWHRMWCG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640155 493224500 /nfs/dbraw/zinc/22/45/00/493224500.db2.gz RZRZKPASTPIIIO-CWRNSKLLSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640155 493224502 /nfs/dbraw/zinc/22/45/02/493224502.db2.gz RZRZKPASTPIIIO-CWRNSKLLSA-N 2 2 366.506 0.201 20 0 FCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642039 493225816 /nfs/dbraw/zinc/22/58/16/493225816.db2.gz WLBPUTAYPSQYIL-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642039 493225817 /nfs/dbraw/zinc/22/58/17/493225817.db2.gz WLBPUTAYPSQYIL-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672642347 493226352 /nfs/dbraw/zinc/22/63/52/493226352.db2.gz HABNSFWBUSAXKM-ZOBUZTSGSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672642347 493226356 /nfs/dbraw/zinc/22/63/56/493226356.db2.gz HABNSFWBUSAXKM-ZOBUZTSGSA-N 2 2 366.506 0.345 20 0 FCADLP COCC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672641483 493226623 /nfs/dbraw/zinc/22/66/23/493226623.db2.gz QJNZPCIKOJVERP-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP COCC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000672641483 493226626 /nfs/dbraw/zinc/22/66/26/493226626.db2.gz QJNZPCIKOJVERP-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP CN(Cc1cscn1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643083 493227883 /nfs/dbraw/zinc/22/78/83/493227883.db2.gz OJRZYAJOSDVEMG-ZDUSSCGKSA-N 2 2 365.503 0.386 20 0 FCADLP CN(Cc1cscn1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643083 493227886 /nfs/dbraw/zinc/22/78/86/493227886.db2.gz OJRZYAJOSDVEMG-ZDUSSCGKSA-N 2 2 365.503 0.386 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000672695755 493234882 /nfs/dbraw/zinc/23/48/82/493234882.db2.gz TXATXCCIUKMCLS-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@@H](C)O1 ZINC000672705569 493237505 /nfs/dbraw/zinc/23/75/05/493237505.db2.gz GFDCVTVGBIXFCB-HZPDHXFCSA-N 2 2 370.538 0.972 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@@H](C)O1 ZINC000672705569 493237509 /nfs/dbraw/zinc/23/75/09/493237509.db2.gz GFDCVTVGBIXFCB-HZPDHXFCSA-N 2 2 370.538 0.972 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977451 493244168 /nfs/dbraw/zinc/24/41/68/493244168.db2.gz AIMKFCLISCWTMA-ZACQAIPSSA-N 2 2 352.479 0.402 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977451 493244169 /nfs/dbraw/zinc/24/41/69/493244169.db2.gz AIMKFCLISCWTMA-ZACQAIPSSA-N 2 2 352.479 0.402 20 0 FCADLP Cc1cnc2nc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)nn2c1 ZINC000667054862 493255201 /nfs/dbraw/zinc/25/52/01/493255201.db2.gz YBZDEKPJVWHYBZ-UHFFFAOYSA-N 2 2 352.402 0.832 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(CCO)C3CCOCC3)C2)CC1 ZINC000681968731 493257768 /nfs/dbraw/zinc/25/77/68/493257768.db2.gz YNKCCHFSTLPMCJ-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(CCO)C3CCOCC3)C2)CC1 ZINC000681968731 493257770 /nfs/dbraw/zinc/25/77/70/493257770.db2.gz YNKCCHFSTLPMCJ-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP Cn1cc(-c2nn(C)cc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993617 493259155 /nfs/dbraw/zinc/25/91/55/493259155.db2.gz QIZWSKRZURMNBK-OAHLLOKOSA-N 2 2 371.489 0.719 20 0 FCADLP Cn1cc(-c2nn(C)cc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993617 493259156 /nfs/dbraw/zinc/25/91/56/493259156.db2.gz QIZWSKRZURMNBK-OAHLLOKOSA-N 2 2 371.489 0.719 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000667142300 493261306 /nfs/dbraw/zinc/26/13/06/493261306.db2.gz BEKUMNTVNUKNOT-KBXCAEBGSA-N 2 2 372.469 0.592 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000667156359 493262017 /nfs/dbraw/zinc/26/20/17/493262017.db2.gz IMOYAPJXNGIYHA-HIFRSBDPSA-N 2 2 366.466 0.450 20 0 FCADLP CC1(C)CN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1CCO ZINC000682065303 493267050 /nfs/dbraw/zinc/26/70/50/493267050.db2.gz JNWHZOBTSFQCHG-UHFFFAOYSA-N 2 2 372.429 0.121 20 0 FCADLP CC1(C)CN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1CCO ZINC000682065303 493267055 /nfs/dbraw/zinc/26/70/55/493267055.db2.gz JNWHZOBTSFQCHG-UHFFFAOYSA-N 2 2 372.429 0.121 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000641668863 493274967 /nfs/dbraw/zinc/27/49/67/493274967.db2.gz QOSJNZDNCHKGJZ-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000641668863 493274969 /nfs/dbraw/zinc/27/49/69/493274969.db2.gz QOSJNZDNCHKGJZ-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCO1 ZINC000667404237 493283599 /nfs/dbraw/zinc/28/35/99/493283599.db2.gz HQAHVOINJRRIDH-IUODEOHRSA-N 2 2 357.414 0.600 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682476441 493302299 /nfs/dbraw/zinc/30/22/99/493302299.db2.gz MTRCQDCORATFPY-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667797328 493302298 /nfs/dbraw/zinc/30/22/98/493302298.db2.gz KEQOLBRSUJCCRL-UHFFFAOYSA-N 2 2 374.489 0.745 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673286537 493312380 /nfs/dbraw/zinc/31/23/80/493312380.db2.gz WHNTZPOQNWMIJB-QAPCUYQASA-N 2 2 374.485 0.468 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673286537 493312382 /nfs/dbraw/zinc/31/23/82/493312382.db2.gz WHNTZPOQNWMIJB-QAPCUYQASA-N 2 2 374.485 0.468 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000673287251 493312715 /nfs/dbraw/zinc/31/27/15/493312715.db2.gz XDSFJIIDTVPHSA-GOSISDBHSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000673287251 493312718 /nfs/dbraw/zinc/31/27/18/493312718.db2.gz XDSFJIIDTVPHSA-GOSISDBHSA-N 2 2 356.470 0.986 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1C[NH+](C)CCO1 ZINC000673289951 493313648 /nfs/dbraw/zinc/31/36/48/493313648.db2.gz YEALQFIMKMWNFV-XKQJLSEDSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1C[NH+](C)CCO1 ZINC000673289951 493313650 /nfs/dbraw/zinc/31/36/50/493313650.db2.gz YEALQFIMKMWNFV-XKQJLSEDSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000673289951 493313652 /nfs/dbraw/zinc/31/36/52/493313652.db2.gz YEALQFIMKMWNFV-XKQJLSEDSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000673289951 493313655 /nfs/dbraw/zinc/31/36/55/493313655.db2.gz YEALQFIMKMWNFV-XKQJLSEDSA-N 2 2 360.458 0.125 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673301936 493315059 /nfs/dbraw/zinc/31/50/59/493315059.db2.gz IPEZMAVFIRUOIM-MRXNPFEDSA-N 2 2 371.485 0.863 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673302993 493315147 /nfs/dbraw/zinc/31/51/47/493315147.db2.gz BWQQMPSHRFYPJS-HZPDHXFCSA-N 2 2 359.474 0.766 20 0 FCADLP C[NH+]1CC2(C1)CCN(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000673428272 493327791 /nfs/dbraw/zinc/32/77/91/493327791.db2.gz UNYAGXRLPRSRGA-UHFFFAOYSA-N 2 2 371.485 0.675 20 0 FCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000668536022 493372318 /nfs/dbraw/zinc/37/23/18/493372318.db2.gz MNQMVUXYOZINIX-GOSISDBHSA-N 2 2 374.485 0.298 20 0 FCADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660691002 493373346 /nfs/dbraw/zinc/37/33/46/493373346.db2.gz QPMMHQCHEWJLQV-FUHWJXTLSA-N 2 2 366.506 0.603 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610768 493383791 /nfs/dbraw/zinc/38/37/91/493383791.db2.gz GVZSWMOPHFJWBC-CGTJXYLNSA-N 2 2 362.474 0.645 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610768 493383792 /nfs/dbraw/zinc/38/37/92/493383792.db2.gz GVZSWMOPHFJWBC-CGTJXYLNSA-N 2 2 362.474 0.645 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(=O)N(C)C ZINC000684005255 493386712 /nfs/dbraw/zinc/38/67/12/493386712.db2.gz OKVDEPDMTANHTL-CQSZACIVSA-N 2 2 361.490 0.992 20 0 FCADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668633939 493387934 /nfs/dbraw/zinc/38/79/34/493387934.db2.gz WHWQYMDZWPODLI-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638900 493388290 /nfs/dbraw/zinc/38/82/90/493388290.db2.gz CJPNCNLCFLAFOY-LAUBAEHRSA-N 2 2 370.497 0.729 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638900 493388292 /nfs/dbraw/zinc/38/82/92/493388292.db2.gz CJPNCNLCFLAFOY-LAUBAEHRSA-N 2 2 370.497 0.729 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668652029 493391776 /nfs/dbraw/zinc/39/17/76/493391776.db2.gz RDWIETATVXVVTE-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668652029 493391778 /nfs/dbraw/zinc/39/17/78/493391778.db2.gz RDWIETATVXVVTE-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000668721589 493401790 /nfs/dbraw/zinc/40/17/90/493401790.db2.gz NJMJKQKWQUXYBM-RHSMWYFYSA-N 2 2 366.506 0.033 20 0 FCADLP COC1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000674329505 493408930 /nfs/dbraw/zinc/40/89/30/493408930.db2.gz DAQKHQBJYRZDSV-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP COC1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000674329505 493408933 /nfs/dbraw/zinc/40/89/33/493408933.db2.gz DAQKHQBJYRZDSV-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843040 493419990 /nfs/dbraw/zinc/41/99/90/493419990.db2.gz MQWHZVCYEPCYRU-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000668843040 493419991 /nfs/dbraw/zinc/41/99/91/493419991.db2.gz MQWHZVCYEPCYRU-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000668843040 493419993 /nfs/dbraw/zinc/41/99/93/493419993.db2.gz MQWHZVCYEPCYRU-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000668843040 493419995 /nfs/dbraw/zinc/41/99/95/493419995.db2.gz MQWHZVCYEPCYRU-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC(C)c1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684639825 493425188 /nfs/dbraw/zinc/42/51/88/493425188.db2.gz AJSIMZNFEXIFBL-CQSZACIVSA-N 2 2 374.489 0.823 20 0 FCADLP CC(C)c1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684639825 493425189 /nfs/dbraw/zinc/42/51/89/493425189.db2.gz AJSIMZNFEXIFBL-CQSZACIVSA-N 2 2 374.489 0.823 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](CO)[C@H]3CCOC3)C2)CC1 ZINC000684660995 493427017 /nfs/dbraw/zinc/42/70/17/493427017.db2.gz RKQHDOTVKHEUQO-XHSDSOJGSA-N 2 2 354.495 0.099 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](CO)[C@H]3CCOC3)C2)CC1 ZINC000684660995 493427020 /nfs/dbraw/zinc/42/70/20/493427020.db2.gz RKQHDOTVKHEUQO-XHSDSOJGSA-N 2 2 354.495 0.099 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000668892182 493429498 /nfs/dbraw/zinc/42/94/98/493429498.db2.gz YMEZYVSOZIDWEO-ULQDDVLXSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601275 493450602 /nfs/dbraw/zinc/45/06/02/493450602.db2.gz QACJQZGYCQXNAH-DLBZAZTESA-N 2 2 371.485 0.721 20 0 FCADLP O=C(CC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601275 493450605 /nfs/dbraw/zinc/45/06/05/493450605.db2.gz QACJQZGYCQXNAH-DLBZAZTESA-N 2 2 371.485 0.721 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)[nH+]1 ZINC000674889933 493455722 /nfs/dbraw/zinc/45/57/22/493455722.db2.gz XZFDWOACYWWALF-MRXNPFEDSA-N 2 2 359.474 0.875 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)[nH+]1 ZINC000674889933 493455726 /nfs/dbraw/zinc/45/57/26/493455726.db2.gz XZFDWOACYWWALF-MRXNPFEDSA-N 2 2 359.474 0.875 20 0 FCADLP CN1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC1=O ZINC000661814202 493466990 /nfs/dbraw/zinc/46/69/90/493466990.db2.gz MZAVBNHPEBLMJY-UHFFFAOYSA-N 2 2 374.485 0.299 20 0 FCADLP CN1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC1=O ZINC000661814202 493466994 /nfs/dbraw/zinc/46/69/94/493466994.db2.gz MZAVBNHPEBLMJY-UHFFFAOYSA-N 2 2 374.485 0.299 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669144367 493467628 /nfs/dbraw/zinc/46/76/28/493467628.db2.gz NSFXLYFSGROUFU-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1C1CC1 ZINC000685276966 493471916 /nfs/dbraw/zinc/47/19/16/493471916.db2.gz KEUIIKBARBDOMZ-GRDNDAEWSA-N 2 2 358.442 0.803 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1C1CC1 ZINC000685276966 493471918 /nfs/dbraw/zinc/47/19/18/493471918.db2.gz KEUIIKBARBDOMZ-GRDNDAEWSA-N 2 2 358.442 0.803 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000669189899 493474878 /nfs/dbraw/zinc/47/48/78/493474878.db2.gz XOEOOMOGIRUXEK-SJLPKXTDSA-N 2 2 372.469 0.222 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000669189899 493474879 /nfs/dbraw/zinc/47/48/79/493474879.db2.gz XOEOOMOGIRUXEK-SJLPKXTDSA-N 2 2 372.469 0.222 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336258 493477210 /nfs/dbraw/zinc/47/72/10/493477210.db2.gz PREXMXZWEWIZMV-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336258 493477212 /nfs/dbraw/zinc/47/72/12/493477212.db2.gz PREXMXZWEWIZMV-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336259 493477499 /nfs/dbraw/zinc/47/74/99/493477499.db2.gz PREXMXZWEWIZMV-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336259 493477500 /nfs/dbraw/zinc/47/75/00/493477500.db2.gz PREXMXZWEWIZMV-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661983035 493480264 /nfs/dbraw/zinc/48/02/64/493480264.db2.gz CXCLFNPDZXSZCK-IAGOWNOFSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000685358304 493485687 /nfs/dbraw/zinc/48/56/87/493485687.db2.gz ILAIJWFRLTVISH-OAHLLOKOSA-N 2 2 359.474 0.791 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000669405496 493502128 /nfs/dbraw/zinc/50/21/28/493502128.db2.gz FDOGCHNEVFSEMH-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP COc1cc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc(OC)c1OC ZINC000662285893 493502353 /nfs/dbraw/zinc/50/23/53/493502353.db2.gz LMQKATDZAHOTGQ-UHFFFAOYSA-N 2 2 353.419 0.355 20 0 FCADLP Cc1ccc(-c2noc(CCC[N@H+](CC[NH3+])C[C@@H](O)CO)n2)cc1F ZINC000662287872 493503089 /nfs/dbraw/zinc/50/30/89/493503089.db2.gz BMYPWBBZOYTESU-CQSZACIVSA-N 2 2 352.410 0.731 20 0 FCADLP Cc1ccc(-c2noc(CCC[N@@H+](CC[NH3+])C[C@@H](O)CO)n2)cc1F ZINC000662287872 493503092 /nfs/dbraw/zinc/50/30/92/493503092.db2.gz BMYPWBBZOYTESU-CQSZACIVSA-N 2 2 352.410 0.731 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000669430981 493503561 /nfs/dbraw/zinc/50/35/61/493503561.db2.gz MTMPCHGAPZRXKY-INIZCTEOSA-N 2 2 374.489 0.562 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292354 493503886 /nfs/dbraw/zinc/50/38/86/493503886.db2.gz DXPVGSGRLKDXMW-VNQPRFMTSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292354 493503888 /nfs/dbraw/zinc/50/38/88/493503888.db2.gz DXPVGSGRLKDXMW-VNQPRFMTSA-N 2 2 357.520 0.390 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H](O)CO ZINC000662288947 493503944 /nfs/dbraw/zinc/50/39/44/493503944.db2.gz WAZQIZXACAQRSD-ZDUSSCGKSA-N 2 2 360.252 0.392 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H](O)CO ZINC000662288947 493503945 /nfs/dbraw/zinc/50/39/45/493503945.db2.gz WAZQIZXACAQRSD-ZDUSSCGKSA-N 2 2 360.252 0.392 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)[nH+]c12 ZINC000669511959 493508195 /nfs/dbraw/zinc/50/81/95/493508195.db2.gz OVMDRAZTOQNGSF-QGZVFWFLSA-N 2 2 356.474 0.874 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449615 493516786 /nfs/dbraw/zinc/51/67/86/493516786.db2.gz ZPGLUHKQYULSOP-HKUYNNGSSA-N 2 2 358.486 0.696 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662624029 493528329 /nfs/dbraw/zinc/52/83/29/493528329.db2.gz QOOQOCYVZRRPBY-OAHLLOKOSA-N 2 2 355.446 0.955 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662661373 493530350 /nfs/dbraw/zinc/53/03/50/493530350.db2.gz AIHGUULJYYDLPR-FUHWJXTLSA-N 2 2 363.458 0.712 20 0 FCADLP CC(C)(CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662662047 493530367 /nfs/dbraw/zinc/53/03/67/493530367.db2.gz NCRXLNPHWLQXTC-AWEZNQCLSA-N 2 2 350.467 0.433 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662673772 493531186 /nfs/dbraw/zinc/53/11/86/493531186.db2.gz RACAABHAWYHXRB-RDJZCZTQSA-N 2 2 364.494 0.679 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662694888 493532792 /nfs/dbraw/zinc/53/27/92/493532792.db2.gz CPKXIPFOFMUYPJ-KGLIPLIRSA-N 2 2 367.437 0.853 20 0 FCADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241321 493533652 /nfs/dbraw/zinc/53/36/52/493533652.db2.gz ABTQBVCPKZRHRK-HOCLYGCPSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241321 493533655 /nfs/dbraw/zinc/53/36/55/493533655.db2.gz ABTQBVCPKZRHRK-HOCLYGCPSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676245854 493534899 /nfs/dbraw/zinc/53/48/99/493534899.db2.gz ANNJJXHSPQYFCC-YLFCFFPRSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245854 493534902 /nfs/dbraw/zinc/53/49/02/493534902.db2.gz ANNJJXHSPQYFCC-YLFCFFPRSA-N 2 2 354.495 0.648 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)c2ccccc2C[NH+]2CCOCC2)n1 ZINC000662750420 493537106 /nfs/dbraw/zinc/53/71/06/493537106.db2.gz RFYXBIRYUSBQEK-UHFFFAOYSA-N 2 2 357.414 0.403 20 0 FCADLP C[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000662751723 493538118 /nfs/dbraw/zinc/53/81/18/493538118.db2.gz DAYHBBCUOAGMNP-HLLBOEOZSA-N 2 2 362.478 0.385 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000662786586 493542126 /nfs/dbraw/zinc/54/21/26/493542126.db2.gz VZNLTNVAGFVLMW-KRWDZBQOSA-N 2 2 369.473 0.946 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662794699 493542577 /nfs/dbraw/zinc/54/25/77/493542577.db2.gz HQWAISZUEKJMJI-HUUCEWRRSA-N 2 2 355.446 0.996 20 0 FCADLP C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000662900835 493549949 /nfs/dbraw/zinc/54/99/49/493549949.db2.gz BZVSZUIDELZYCG-QFBILLFUSA-N 2 2 355.442 0.525 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662922739 493553868 /nfs/dbraw/zinc/55/38/68/493553868.db2.gz TXHFPNCSEUFYBH-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662950248 493559446 /nfs/dbraw/zinc/55/94/46/493559446.db2.gz KHERCBAQCYGVJD-GOSISDBHSA-N 2 2 374.485 0.297 20 0 FCADLP NC(=O)C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000676898040 493577591 /nfs/dbraw/zinc/57/75/91/493577591.db2.gz HYERCYDXHMZNRC-AWEZNQCLSA-N 2 2 350.488 0.590 20 0 FCADLP NC(=O)C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000676898040 493577593 /nfs/dbraw/zinc/57/75/93/493577593.db2.gz HYERCYDXHMZNRC-AWEZNQCLSA-N 2 2 350.488 0.590 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000670630284 493581893 /nfs/dbraw/zinc/58/18/93/493581893.db2.gz ZWLRPYOQPSBVSK-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000663304829 493583747 /nfs/dbraw/zinc/58/37/47/493583747.db2.gz STQSJADXIUXVLN-DYVFJYSZSA-N 2 2 360.458 0.955 20 0 FCADLP CC(C)COCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670716994 493589897 /nfs/dbraw/zinc/58/98/97/493589897.db2.gz NWWAXPMZZGUFLY-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000670813722 493599784 /nfs/dbraw/zinc/59/97/84/493599784.db2.gz MIEKCAMIEXQFDQ-SJORKVTESA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000670813155 493599814 /nfs/dbraw/zinc/59/98/14/493599814.db2.gz JZVDDLVVWZRGEX-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477076 493604111 /nfs/dbraw/zinc/60/41/11/493604111.db2.gz PCAVHOGOELRSCZ-RYUDHWBXSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477076 493604113 /nfs/dbraw/zinc/60/41/13/493604113.db2.gz PCAVHOGOELRSCZ-RYUDHWBXSA-N 2 2 352.401 0.767 20 0 FCADLP Cc1c(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]c1NC[C@@](C)(O)C[NH+](C)C ZINC000663741719 493615773 /nfs/dbraw/zinc/61/57/73/493615773.db2.gz OJBGFPNFISNZAO-IAGOWNOFSA-N 3 2 354.499 0.234 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000663824634 493619372 /nfs/dbraw/zinc/61/93/72/493619372.db2.gz DQDVDYLFFTVEOM-OAHLLOKOSA-N 2 2 367.494 0.890 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663938054 493626729 /nfs/dbraw/zinc/62/67/29/493626729.db2.gz WLGLODDFZKEWCG-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663938054 493626731 /nfs/dbraw/zinc/62/67/31/493626731.db2.gz WLGLODDFZKEWCG-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677961641 493627066 /nfs/dbraw/zinc/62/70/66/493627066.db2.gz OSYVVUVAQYHTEF-NUEKZKHPSA-N 2 2 351.495 0.369 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677961641 493627068 /nfs/dbraw/zinc/62/70/68/493627068.db2.gz OSYVVUVAQYHTEF-NUEKZKHPSA-N 2 2 351.495 0.369 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671103854 493634509 /nfs/dbraw/zinc/63/45/09/493634509.db2.gz PRECJYRJBHKSSB-ZWKOTPCHSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671103854 493634511 /nfs/dbraw/zinc/63/45/11/493634511.db2.gz PRECJYRJBHKSSB-ZWKOTPCHSA-N 2 2 356.470 0.861 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000664181566 493642577 /nfs/dbraw/zinc/64/25/77/493642577.db2.gz KNTIRTRQWRIYRN-UONOGXRCSA-N 2 2 353.467 0.500 20 0 FCADLP CC(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671353686 493659323 /nfs/dbraw/zinc/65/93/23/493659323.db2.gz YNCGOYXCTBQPNL-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671353686 493659325 /nfs/dbraw/zinc/65/93/25/493659325.db2.gz YNCGOYXCTBQPNL-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000671375922 493661844 /nfs/dbraw/zinc/66/18/44/493661844.db2.gz LZDZYPGDHXLUHN-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394985 493664758 /nfs/dbraw/zinc/66/47/58/493664758.db2.gz QPRYRIPNMWMOGK-CRAIPNDOSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671394985 493664760 /nfs/dbraw/zinc/66/47/60/493664760.db2.gz QPRYRIPNMWMOGK-CRAIPNDOSA-N 2 2 358.486 0.917 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000664597657 493670201 /nfs/dbraw/zinc/67/02/01/493670201.db2.gz BWFKADUSUHULIP-IRXDYDNUSA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000664597657 493670202 /nfs/dbraw/zinc/67/02/02/493670202.db2.gz BWFKADUSUHULIP-IRXDYDNUSA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH+]cn1 ZINC000664597657 493670203 /nfs/dbraw/zinc/67/02/03/493670203.db2.gz BWFKADUSUHULIP-IRXDYDNUSA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH+]cn1 ZINC000664597657 493670204 /nfs/dbraw/zinc/67/02/04/493670204.db2.gz BWFKADUSUHULIP-IRXDYDNUSA-N 2 2 361.490 0.863 20 0 FCADLP CCNc1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000664596196 493670332 /nfs/dbraw/zinc/67/03/32/493670332.db2.gz HGANKFBKIVZIOY-AWEZNQCLSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000664596196 493670334 /nfs/dbraw/zinc/67/03/34/493670334.db2.gz HGANKFBKIVZIOY-AWEZNQCLSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH+]1 ZINC000664596196 493670338 /nfs/dbraw/zinc/67/03/38/493670338.db2.gz HGANKFBKIVZIOY-AWEZNQCLSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH+]1 ZINC000664596196 493670339 /nfs/dbraw/zinc/67/03/39/493670339.db2.gz HGANKFBKIVZIOY-AWEZNQCLSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000664596196 493670341 /nfs/dbraw/zinc/67/03/41/493670341.db2.gz HGANKFBKIVZIOY-AWEZNQCLSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000664596196 493670344 /nfs/dbraw/zinc/67/03/44/493670344.db2.gz HGANKFBKIVZIOY-AWEZNQCLSA-N 2 2 363.510 0.971 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815048 493684887 /nfs/dbraw/zinc/68/48/87/493684887.db2.gz KHPDNRLQAVIFEH-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815048 493684889 /nfs/dbraw/zinc/68/48/89/493684889.db2.gz KHPDNRLQAVIFEH-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815048 493684891 /nfs/dbraw/zinc/68/48/91/493684891.db2.gz KHPDNRLQAVIFEH-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815048 493684895 /nfs/dbraw/zinc/68/48/95/493684895.db2.gz KHPDNRLQAVIFEH-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000665143698 493701636 /nfs/dbraw/zinc/70/16/36/493701636.db2.gz MRHRNSXMPFHLTL-NXHRZFHOSA-N 2 2 358.486 0.740 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000665143698 493701638 /nfs/dbraw/zinc/70/16/38/493701638.db2.gz MRHRNSXMPFHLTL-NXHRZFHOSA-N 2 2 358.486 0.740 20 0 FCADLP CCCN1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368049 493712537 /nfs/dbraw/zinc/71/25/37/493712537.db2.gz CEDWORJGMIEBKQ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368049 493712539 /nfs/dbraw/zinc/71/25/39/493712539.db2.gz CEDWORJGMIEBKQ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368048 493712654 /nfs/dbraw/zinc/71/26/54/493712654.db2.gz CEDWORJGMIEBKQ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368048 493712657 /nfs/dbraw/zinc/71/26/57/493712657.db2.gz CEDWORJGMIEBKQ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008482 493723749 /nfs/dbraw/zinc/72/37/49/493723749.db2.gz SMRSSPPTXKIRCB-XHSDSOJGSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008482 493723751 /nfs/dbraw/zinc/72/37/51/493723751.db2.gz SMRSSPPTXKIRCB-XHSDSOJGSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672010014 493724183 /nfs/dbraw/zinc/72/41/83/493724183.db2.gz AGRSAJGRNKJPHT-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672010011 493724217 /nfs/dbraw/zinc/72/42/17/493724217.db2.gz AGRSAJGRNKJPHT-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000672011651 493724375 /nfs/dbraw/zinc/72/43/75/493724375.db2.gz KIGNZIGFWPRPKL-AWEZNQCLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000672011651 493724378 /nfs/dbraw/zinc/72/43/78/493724378.db2.gz KIGNZIGFWPRPKL-AWEZNQCLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000672012387 493724458 /nfs/dbraw/zinc/72/44/58/493724458.db2.gz RNEZTYXATFECEC-HLLBOEOZSA-N 2 2 366.506 0.012 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672098327 493735376 /nfs/dbraw/zinc/73/53/76/493735376.db2.gz VONQYCCMZNKLNR-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672098327 493735377 /nfs/dbraw/zinc/73/53/77/493735377.db2.gz VONQYCCMZNKLNR-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)Nc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(NCCO)[nH+]1 ZINC000672142504 493737428 /nfs/dbraw/zinc/73/74/28/493737428.db2.gz KEBGIYYZQPTVMV-AWEZNQCLSA-N 2 2 365.482 0.397 20 0 FCADLP CCOCC[NH+]1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000672208673 493743409 /nfs/dbraw/zinc/74/34/09/493743409.db2.gz UGZMEZHUROEQMA-UHFFFAOYSA-N 2 2 353.471 0.255 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241722 493745740 /nfs/dbraw/zinc/74/57/40/493745740.db2.gz KSBBUXNTLWNFNE-VXGBXAGGSA-N 2 2 373.379 0.614 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241722 493745743 /nfs/dbraw/zinc/74/57/43/493745743.db2.gz KSBBUXNTLWNFNE-VXGBXAGGSA-N 2 2 373.379 0.614 20 0 FCADLP CC(C)OC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161225 493747956 /nfs/dbraw/zinc/74/79/56/493747956.db2.gz QNZUPGMMTRVPHW-AEFFLSMTSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)OC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161225 493747958 /nfs/dbraw/zinc/74/79/58/493747958.db2.gz QNZUPGMMTRVPHW-AEFFLSMTSA-N 2 2 368.522 0.990 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214923 493750852 /nfs/dbraw/zinc/75/08/52/493750852.db2.gz DWQLQIDHLUDWAN-FUHWJXTLSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214923 493750853 /nfs/dbraw/zinc/75/08/53/493750853.db2.gz DWQLQIDHLUDWAN-FUHWJXTLSA-N 2 2 368.522 0.849 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218789 493752022 /nfs/dbraw/zinc/75/20/22/493752022.db2.gz NENMGNDTUGAJNE-FGTMMUONSA-N 2 2 368.522 0.990 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218789 493752023 /nfs/dbraw/zinc/75/20/23/493752023.db2.gz NENMGNDTUGAJNE-FGTMMUONSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000672320102 493756605 /nfs/dbraw/zinc/75/66/05/493756605.db2.gz PRLFWRVZSQQWOP-OWCLPIDISA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000410888070 533850558 /nfs/dbraw/zinc/85/05/58/533850558.db2.gz KBEFJRZHGBDGLO-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410885865 533851037 /nfs/dbraw/zinc/85/10/37/533851037.db2.gz FEFVZFIVKTWKOV-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127543258 533921722 /nfs/dbraw/zinc/92/17/22/533921722.db2.gz IMFGYLCXJBUKPN-CVEARBPZSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127543258 533921735 /nfs/dbraw/zinc/92/17/35/533921735.db2.gz IMFGYLCXJBUKPN-CVEARBPZSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@@H]1[NH+](C)C ZINC000410676219 534283679 /nfs/dbraw/zinc/28/36/79/534283679.db2.gz OSTJFJZHICCASK-PMPSAXMXSA-N 2 2 361.490 0.610 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419926364 536449371 /nfs/dbraw/zinc/44/93/71/536449371.db2.gz BELQOCARMXVWKW-HUUCEWRRSA-N 2 2 361.490 0.897 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@@H+]1CCOC ZINC000410469558 527769461 /nfs/dbraw/zinc/76/94/61/527769461.db2.gz DGYVEZJINJKNDC-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@H+]1CCOC ZINC000410469558 527769472 /nfs/dbraw/zinc/76/94/72/527769472.db2.gz DGYVEZJINJKNDC-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000410469558 527769480 /nfs/dbraw/zinc/76/94/80/527769480.db2.gz DGYVEZJINJKNDC-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000410469558 527769485 /nfs/dbraw/zinc/76/94/85/527769485.db2.gz DGYVEZJINJKNDC-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1CCOC ZINC000410469559 527770168 /nfs/dbraw/zinc/77/01/68/527770168.db2.gz DGYVEZJINJKNDC-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1CCOC ZINC000410469559 527770171 /nfs/dbraw/zinc/77/01/71/527770171.db2.gz DGYVEZJINJKNDC-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410469559 527770174 /nfs/dbraw/zinc/77/01/74/527770174.db2.gz DGYVEZJINJKNDC-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410469559 527770177 /nfs/dbraw/zinc/77/01/77/527770177.db2.gz DGYVEZJINJKNDC-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000410464556 527957180 /nfs/dbraw/zinc/95/71/80/527957180.db2.gz DQDSMVYSAAYULN-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000410703847 527957442 /nfs/dbraw/zinc/95/74/42/527957442.db2.gz YMVHTFQHSVWQII-QGZVFWFLSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000410703847 527957448 /nfs/dbraw/zinc/95/74/48/527957448.db2.gz YMVHTFQHSVWQII-QGZVFWFLSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000410737386 527957760 /nfs/dbraw/zinc/95/77/60/527957760.db2.gz SKUZVVGIYURFEY-IRXDYDNUSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000410737386 527957766 /nfs/dbraw/zinc/95/77/66/527957766.db2.gz SKUZVVGIYURFEY-IRXDYDNUSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410472716 527957859 /nfs/dbraw/zinc/95/78/59/527957859.db2.gz IAVVHDVXKCSJFM-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000410472716 527957864 /nfs/dbraw/zinc/95/78/64/527957864.db2.gz IAVVHDVXKCSJFM-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410776808 528101644 /nfs/dbraw/zinc/10/16/44/528101644.db2.gz SBEVLKAOROLTEH-KRWDZBQOSA-N 2 2 368.522 0.500 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC[N@@H+]1C ZINC000410730384 528714510 /nfs/dbraw/zinc/71/45/10/528714510.db2.gz MJINNBFOKCKOTP-SJORKVTESA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC[N@H+]1C ZINC000410730384 528714515 /nfs/dbraw/zinc/71/45/15/528714515.db2.gz MJINNBFOKCKOTP-SJORKVTESA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410704101 528738988 /nfs/dbraw/zinc/73/89/88/528738988.db2.gz YUAZEKGAQGMSDA-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410704101 528738991 /nfs/dbraw/zinc/73/89/91/528738991.db2.gz YUAZEKGAQGMSDA-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410704101 528738995 /nfs/dbraw/zinc/73/89/95/528738995.db2.gz YUAZEKGAQGMSDA-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410704101 528738999 /nfs/dbraw/zinc/73/89/99/528738999.db2.gz YUAZEKGAQGMSDA-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410955239 529119208 /nfs/dbraw/zinc/11/92/08/529119208.db2.gz PYVIAQIBMUGJCT-KXBFYZLASA-N 2 2 374.489 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410955239 529119213 /nfs/dbraw/zinc/11/92/13/529119213.db2.gz PYVIAQIBMUGJCT-KXBFYZLASA-N 2 2 374.489 0.169 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423658305 535187938 /nfs/dbraw/zinc/18/79/38/535187938.db2.gz FPNWHWAHHUWIED-SJLPKXTDSA-N 2 2 373.501 0.887 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000423314075 535295393 /nfs/dbraw/zinc/29/53/93/535295393.db2.gz GLZHKBPCJNVHLA-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000423314075 535295402 /nfs/dbraw/zinc/29/54/02/535295402.db2.gz GLZHKBPCJNVHLA-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000423733383 535604327 /nfs/dbraw/zinc/60/43/27/535604327.db2.gz NJNBWLJRHCVSIA-RRFJBIMHSA-N 2 2 362.478 0.201 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000423545947 535605154 /nfs/dbraw/zinc/60/51/54/535605154.db2.gz BGHHUELTCUSRFE-KKUMJFAQSA-N 2 2 362.478 0.201 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000419953477 535605670 /nfs/dbraw/zinc/60/56/70/535605670.db2.gz LHAKBKIYFQTMQH-KBPBESRZSA-N 2 2 350.467 0.105 20 0 FCADLP CCN1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1c1[nH]cc[nH+]1 ZINC000415199911 535608026 /nfs/dbraw/zinc/60/80/26/535608026.db2.gz DYOIGYYOXGSNSD-INIZCTEOSA-N 2 2 370.457 0.973 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CC1 ZINC000442816340 535653661 /nfs/dbraw/zinc/65/36/61/535653661.db2.gz DXDZDFKHWSYQIY-IBGZPJMESA-N 2 2 368.522 0.546 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435629781 536116515 /nfs/dbraw/zinc/11/65/15/536116515.db2.gz YKNQUHLHEILWJL-OAHLLOKOSA-N 2 2 368.503 0.949 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435629781 536116521 /nfs/dbraw/zinc/11/65/21/536116521.db2.gz YKNQUHLHEILWJL-OAHLLOKOSA-N 2 2 368.503 0.949 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000450018733 536302274 /nfs/dbraw/zinc/30/22/74/536302274.db2.gz PZILIDNSIXEBAQ-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP C[NH2+][C@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)c1cnn(C)c1 ZINC000423927862 536381158 /nfs/dbraw/zinc/38/11/58/536381158.db2.gz JRKHSKBROQQPJX-HOCLYGCPSA-N 2 2 358.446 0.822 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415261570 536416363 /nfs/dbraw/zinc/41/63/63/536416363.db2.gz DSPLRCSDKPHYJZ-INIZCTEOSA-N 2 2 359.474 0.322 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000425371204 536487472 /nfs/dbraw/zinc/48/74/72/536487472.db2.gz FYYVBAAAFDPUAX-JKSUJKDBSA-N 2 2 357.458 0.283 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000425371204 536487474 /nfs/dbraw/zinc/48/74/74/536487474.db2.gz FYYVBAAAFDPUAX-JKSUJKDBSA-N 2 2 357.458 0.283 20 0 FCADLP COc1ccc2c(c1)C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)CO2 ZINC000453109382 536990816 /nfs/dbraw/zinc/99/08/16/536990816.db2.gz ALHLRLDTCDCMNB-SFHVURJKSA-N 2 2 363.502 0.978 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000133737494 546574549 /nfs/dbraw/zinc/57/45/49/546574549.db2.gz PFOBCGYIDHZTSY-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737494 546574554 /nfs/dbraw/zinc/57/45/54/546574554.db2.gz PFOBCGYIDHZTSY-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000133737494 546574559 /nfs/dbraw/zinc/57/45/59/546574559.db2.gz PFOBCGYIDHZTSY-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737494 546574562 /nfs/dbraw/zinc/57/45/62/546574562.db2.gz PFOBCGYIDHZTSY-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000133737268 546575080 /nfs/dbraw/zinc/57/50/80/546575080.db2.gz PFOBCGYIDHZTSY-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737268 546575085 /nfs/dbraw/zinc/57/50/85/546575085.db2.gz PFOBCGYIDHZTSY-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000133737268 546575088 /nfs/dbraw/zinc/57/50/88/546575088.db2.gz PFOBCGYIDHZTSY-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000133737268 546575093 /nfs/dbraw/zinc/57/50/93/546575093.db2.gz PFOBCGYIDHZTSY-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278276 546624580 /nfs/dbraw/zinc/62/45/80/546624580.db2.gz CHMZUVKQTIQHRP-CZUORRHYSA-N 2 2 351.422 0.869 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278276 546624583 /nfs/dbraw/zinc/62/45/83/546624583.db2.gz CHMZUVKQTIQHRP-CZUORRHYSA-N 2 2 351.422 0.869 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278275 546624661 /nfs/dbraw/zinc/62/46/61/546624661.db2.gz CHMZUVKQTIQHRP-CJNGLKHVSA-N 2 2 351.422 0.869 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278275 546624664 /nfs/dbraw/zinc/62/46/64/546624664.db2.gz CHMZUVKQTIQHRP-CJNGLKHVSA-N 2 2 351.422 0.869 20 0 FCADLP CC[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000638051170 546871662 /nfs/dbraw/zinc/87/16/62/546871662.db2.gz YHFILLQZJYADLV-AWEZNQCLSA-N 2 2 368.503 0.949 20 0 FCADLP CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377636950 546900961 /nfs/dbraw/zinc/90/09/61/546900961.db2.gz MJQBJSDXCCSIAM-HZPDHXFCSA-N 2 2 353.511 0.840 20 0 FCADLP CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377636950 546900962 /nfs/dbraw/zinc/90/09/62/546900962.db2.gz MJQBJSDXCCSIAM-HZPDHXFCSA-N 2 2 353.511 0.840 20 0 FCADLP CS[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459987002 546930513 /nfs/dbraw/zinc/93/05/13/546930513.db2.gz HCTQLBRWNQPDEE-OAHLLOKOSA-N 2 2 356.536 0.435 20 0 FCADLP CS[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459987002 546930518 /nfs/dbraw/zinc/93/05/18/546930518.db2.gz HCTQLBRWNQPDEE-OAHLLOKOSA-N 2 2 356.536 0.435 20 0 FCADLP CCN1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000547692777 547054350 /nfs/dbraw/zinc/05/43/50/547054350.db2.gz XLRZTOPXJKQHAI-CQSZACIVSA-N 2 2 352.508 0.847 20 0 FCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049309 547058692 /nfs/dbraw/zinc/05/86/92/547058692.db2.gz QZELSNRKPXDKHV-YJBOKZPZSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049309 547058695 /nfs/dbraw/zinc/05/86/95/547058695.db2.gz QZELSNRKPXDKHV-YJBOKZPZSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000548049309 547058699 /nfs/dbraw/zinc/05/86/99/547058699.db2.gz QZELSNRKPXDKHV-YJBOKZPZSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000548049309 547058702 /nfs/dbraw/zinc/05/87/02/547058702.db2.gz QZELSNRKPXDKHV-YJBOKZPZSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000550648501 547092392 /nfs/dbraw/zinc/09/23/92/547092392.db2.gz YTKDLJQHFQDBOE-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000550689356 547097102 /nfs/dbraw/zinc/09/71/02/547097102.db2.gz PHXNJTWWTLOXMW-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000550689356 547097108 /nfs/dbraw/zinc/09/71/08/547097108.db2.gz PHXNJTWWTLOXMW-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H](COC)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000550803013 547107430 /nfs/dbraw/zinc/10/74/30/547107430.db2.gz IJHDTXWKZKGVAO-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000553281062 547267556 /nfs/dbraw/zinc/26/75/56/547267556.db2.gz YBMIHDLPAQONAD-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000553281062 547267558 /nfs/dbraw/zinc/26/75/58/547267558.db2.gz YBMIHDLPAQONAD-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)C(C)(C)C ZINC000487225207 547384352 /nfs/dbraw/zinc/38/43/52/547384352.db2.gz CRWSIUQHNOSZQF-INIZCTEOSA-N 2 2 358.527 0.689 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccs1 ZINC000162361008 547389853 /nfs/dbraw/zinc/38/98/53/547389853.db2.gz FPIXEXKVXNWKGS-OAHLLOKOSA-N 2 2 370.519 0.687 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401812 598837076 /nfs/dbraw/zinc/83/70/76/598837076.db2.gz YMGDOVMMNJVWQZ-KGLIPLIRSA-N 2 2 359.482 0.959 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401812 598837078 /nfs/dbraw/zinc/83/70/78/598837078.db2.gz YMGDOVMMNJVWQZ-KGLIPLIRSA-N 2 2 359.482 0.959 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000738412049 599102222 /nfs/dbraw/zinc/10/22/22/599102222.db2.gz FIKXDJDCNZDCLV-KRWDZBQOSA-N 2 2 357.462 0.363 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000736853338 598463538 /nfs/dbraw/zinc/46/35/38/598463538.db2.gz WMYTWLZMQJSJQZ-UHFFFAOYSA-N 2 2 370.461 0.550 20 0 FCADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822850444 606079832 /nfs/dbraw/zinc/07/98/32/606079832.db2.gz HQOXIVOEOMZUKP-UONOGXRCSA-N 2 2 352.402 0.996 20 0 FCADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822850444 606079837 /nfs/dbraw/zinc/07/98/37/606079837.db2.gz HQOXIVOEOMZUKP-UONOGXRCSA-N 2 2 352.402 0.996 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000093332642 674536746 /nfs/dbraw/zinc/53/67/46/674536746.db2.gz ZQWQZIBIVAPWMO-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000093332642 674536750 /nfs/dbraw/zinc/53/67/50/674536750.db2.gz ZQWQZIBIVAPWMO-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000821621965 606560512 /nfs/dbraw/zinc/56/05/12/606560512.db2.gz NHBKWCPQUHRTTN-INIZCTEOSA-N 2 2 369.473 0.694 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000821621965 606560513 /nfs/dbraw/zinc/56/05/13/606560513.db2.gz NHBKWCPQUHRTTN-INIZCTEOSA-N 2 2 369.473 0.694 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCn2cc(Cl)cn2)C1 ZINC000969960438 663211415 /nfs/dbraw/zinc/21/14/15/663211415.db2.gz ZGZYGPZZXUSXSJ-XJKCOSOUSA-N 2 2 369.897 0.692 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCn2cc(Cl)cn2)C1 ZINC000969960438 663211416 /nfs/dbraw/zinc/21/14/16/663211416.db2.gz ZGZYGPZZXUSXSJ-XJKCOSOUSA-N 2 2 369.897 0.692 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891411260 663385604 /nfs/dbraw/zinc/38/56/04/663385604.db2.gz FEBCQXNJXFKKAS-UAGQMJEPSA-N 2 2 354.520 0.778 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891411259 663385751 /nfs/dbraw/zinc/38/57/51/663385751.db2.gz FEBCQXNJXFKKAS-OIISXLGYSA-N 2 2 354.520 0.778 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC001022105225 663404708 /nfs/dbraw/zinc/40/47/08/663404708.db2.gz VJFPVNNAKOSTJU-FVCCEPFGSA-N 2 2 352.508 0.681 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC001022105225 663404710 /nfs/dbraw/zinc/40/47/10/663404710.db2.gz VJFPVNNAKOSTJU-FVCCEPFGSA-N 2 2 352.508 0.681 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001022277104 663429190 /nfs/dbraw/zinc/42/91/90/663429190.db2.gz WABVZVLXRIXOMK-HGTKMLMNSA-N 2 2 350.467 0.315 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001022277104 663429193 /nfs/dbraw/zinc/42/91/93/663429193.db2.gz WABVZVLXRIXOMK-HGTKMLMNSA-N 2 2 350.467 0.315 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276714 663429237 /nfs/dbraw/zinc/42/92/37/663429237.db2.gz PZAZBAQITHDHFS-REBRKWNGSA-N 2 2 350.467 0.062 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276714 663429238 /nfs/dbraw/zinc/42/92/38/663429238.db2.gz PZAZBAQITHDHFS-REBRKWNGSA-N 2 2 350.467 0.062 20 0 FCADLP CCOC1CC(CNC(=O)N(CC)[C@H]2CC[NH2+]C2)([NH+]2CCOCC2)C1 ZINC000891857384 663443111 /nfs/dbraw/zinc/44/31/11/663443111.db2.gz CWBCQKNFYKCLIV-HJOIGYKYSA-N 2 2 354.495 0.650 20 0 FCADLP CCOC(=O)CC[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000065187773 663458769 /nfs/dbraw/zinc/45/87/69/663458769.db2.gz AVMMWIQYEDJMQX-UHFFFAOYSA-N 2 2 352.435 0.378 20 0 FCADLP CCOC(=O)CC[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000065187773 663458773 /nfs/dbraw/zinc/45/87/73/663458773.db2.gz AVMMWIQYEDJMQX-UHFFFAOYSA-N 2 2 352.435 0.378 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000934307336 663488627 /nfs/dbraw/zinc/48/86/27/663488627.db2.gz FYRQQCPFNPZKFN-JKSUJKDBSA-N 2 2 359.536 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000934307336 663488628 /nfs/dbraw/zinc/48/86/28/663488628.db2.gz FYRQQCPFNPZKFN-JKSUJKDBSA-N 2 2 359.536 0.827 20 0 FCADLP CO[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000893266794 664224654 /nfs/dbraw/zinc/22/46/54/664224654.db2.gz JGMZTQYBAWEEJO-INIZCTEOSA-N 2 2 354.495 0.951 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnsn3)CC2)O1 ZINC001026514965 664239873 /nfs/dbraw/zinc/23/98/73/664239873.db2.gz XEKWLUHMQQRJEK-XZNOPERXSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cnsn3)CC2)O1 ZINC001026514965 664239877 /nfs/dbraw/zinc/23/98/77/664239877.db2.gz XEKWLUHMQQRJEK-XZNOPERXSA-N 2 2 353.492 0.774 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916255 664277197 /nfs/dbraw/zinc/27/71/97/664277197.db2.gz FZLNJPDYZYPKBX-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916255 664277199 /nfs/dbraw/zinc/27/71/99/664277199.db2.gz FZLNJPDYZYPKBX-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916904 664277233 /nfs/dbraw/zinc/27/72/33/664277233.db2.gz RGRKHQZVRZRUEN-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916904 664277234 /nfs/dbraw/zinc/27/72/34/664277234.db2.gz RGRKHQZVRZRUEN-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@@H+]1C ZINC000981779177 664839762 /nfs/dbraw/zinc/83/97/62/664839762.db2.gz WGGIZKSUHWKTHS-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCS(C)(=O)=O)C3)CC[N@H+]1C ZINC000981779177 664839768 /nfs/dbraw/zinc/83/97/68/664839768.db2.gz WGGIZKSUHWKTHS-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC000981779177 664839773 /nfs/dbraw/zinc/83/97/73/664839773.db2.gz WGGIZKSUHWKTHS-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CCS(C)(=O)=O)C3)CC[NH+]1C ZINC000981779177 664839782 /nfs/dbraw/zinc/83/97/82/664839782.db2.gz WGGIZKSUHWKTHS-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038398933 664930493 /nfs/dbraw/zinc/93/04/93/664930493.db2.gz JPSBQWITBKPHCW-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038398933 664930495 /nfs/dbraw/zinc/93/04/95/664930495.db2.gz JPSBQWITBKPHCW-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038398933 664930497 /nfs/dbraw/zinc/93/04/97/664930497.db2.gz JPSBQWITBKPHCW-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984011433 665012844 /nfs/dbraw/zinc/01/28/44/665012844.db2.gz DGCLUHPMUDKMFQ-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000984011433 665012847 /nfs/dbraw/zinc/01/28/47/665012847.db2.gz DGCLUHPMUDKMFQ-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000984015289 665013291 /nfs/dbraw/zinc/01/32/91/665013291.db2.gz OGKSGGVWBBEAEV-AAVRWANBSA-N 2 2 367.519 0.804 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000984015289 665013293 /nfs/dbraw/zinc/01/32/93/665013293.db2.gz OGKSGGVWBBEAEV-AAVRWANBSA-N 2 2 367.519 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001029313831 665013913 /nfs/dbraw/zinc/01/39/13/665013913.db2.gz OJIGLHIWQMUDIG-BPKGMFCQSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001029313831 665013918 /nfs/dbraw/zinc/01/39/18/665013918.db2.gz OJIGLHIWQMUDIG-BPKGMFCQSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001029313831 665013922 /nfs/dbraw/zinc/01/39/22/665013922.db2.gz OJIGLHIWQMUDIG-BPKGMFCQSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001029313831 665013927 /nfs/dbraw/zinc/01/39/27/665013927.db2.gz OJIGLHIWQMUDIG-BPKGMFCQSA-N 2 2 369.531 0.437 20 0 FCADLP CO[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000895684519 665056064 /nfs/dbraw/zinc/05/60/64/665056064.db2.gz DKZFRLFUQIEAFU-OALUTQOASA-N 2 2 355.523 0.814 20 0 FCADLP CO[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000895684518 665056130 /nfs/dbraw/zinc/05/61/30/665056130.db2.gz DKZFRLFUQIEAFU-MOPGFXCFSA-N 2 2 355.523 0.814 20 0 FCADLP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001029767652 665171763 /nfs/dbraw/zinc/17/17/63/665171763.db2.gz XEUBJGMRRRXFJQ-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001029767652 665171764 /nfs/dbraw/zinc/17/17/64/665171764.db2.gz XEUBJGMRRRXFJQ-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)no1 ZINC001029767652 665171765 /nfs/dbraw/zinc/17/17/65/665171765.db2.gz XEUBJGMRRRXFJQ-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)no1 ZINC001029767652 665171766 /nfs/dbraw/zinc/17/17/66/665171766.db2.gz XEUBJGMRRRXFJQ-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000905664488 666033529 /nfs/dbraw/zinc/03/35/29/666033529.db2.gz MFWYMLQEUKJIFA-KRWDZBQOSA-N 2 2 355.504 0.495 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000905664488 666033532 /nfs/dbraw/zinc/03/35/32/666033532.db2.gz MFWYMLQEUKJIFA-KRWDZBQOSA-N 2 2 355.504 0.495 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000907518054 666141552 /nfs/dbraw/zinc/14/15/52/666141552.db2.gz MBKPZXOIJPXPKM-ARFHVFGLSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000907518054 666141554 /nfs/dbraw/zinc/14/15/54/666141554.db2.gz MBKPZXOIJPXPKM-ARFHVFGLSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000907518054 666141556 /nfs/dbraw/zinc/14/15/56/666141556.db2.gz MBKPZXOIJPXPKM-ARFHVFGLSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000907518054 666141558 /nfs/dbraw/zinc/14/15/58/666141558.db2.gz MBKPZXOIJPXPKM-ARFHVFGLSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540795 666211463 /nfs/dbraw/zinc/21/14/63/666211463.db2.gz OLLKAUOUJMYMNV-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540795 666211465 /nfs/dbraw/zinc/21/14/65/666211465.db2.gz OLLKAUOUJMYMNV-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000908540795 666211467 /nfs/dbraw/zinc/21/14/67/666211467.db2.gz OLLKAUOUJMYMNV-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000908540795 666211469 /nfs/dbraw/zinc/21/14/69/666211469.db2.gz OLLKAUOUJMYMNV-HOTGVXAUSA-N 2 2 355.479 0.225 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000911295245 666331889 /nfs/dbraw/zinc/33/18/89/666331889.db2.gz XVWKFCYSXVINLE-UHFFFAOYSA-N 2 2 354.539 0.972 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000912239656 666396061 /nfs/dbraw/zinc/39/60/61/666396061.db2.gz YLHDNNHMZZHMOP-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000912239656 666396063 /nfs/dbraw/zinc/39/60/63/666396063.db2.gz YLHDNNHMZZHMOP-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NNC(=O)c1cccs1 ZINC000069029548 666494259 /nfs/dbraw/zinc/49/42/59/666494259.db2.gz LQELDEHMWAIPTD-UHFFFAOYSA-N 2 2 366.487 0.553 20 0 FCADLP Cc1noc(CCC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001031765115 666494914 /nfs/dbraw/zinc/49/49/14/666494914.db2.gz ARYYVDSZSYOTMB-IUODEOHRSA-N 2 2 351.451 0.078 20 0 FCADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000171938620 666598056 /nfs/dbraw/zinc/59/80/56/666598056.db2.gz VITOACRGAMUVHT-KRWDZBQOSA-N 2 2 367.515 0.915 20 0 FCADLP CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961311126 674753598 /nfs/dbraw/zinc/75/35/98/674753598.db2.gz HNJBGQRQYSARTB-ZBRFXRBCSA-N 2 2 351.491 0.569 20 0 FCADLP CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961311126 674753601 /nfs/dbraw/zinc/75/36/01/674753601.db2.gz HNJBGQRQYSARTB-ZBRFXRBCSA-N 2 2 351.491 0.569 20 0 FCADLP CC[NH+]1CCN(CCCNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000915126681 666822508 /nfs/dbraw/zinc/82/25/08/666822508.db2.gz KEYWERNZSACCPV-UHFFFAOYSA-N 2 2 357.568 0.200 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447887589 666825328 /nfs/dbraw/zinc/82/53/28/666825328.db2.gz DZCABHMENNEOIZ-TVFCKZIOSA-N 2 2 351.491 0.950 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000447887589 666825332 /nfs/dbraw/zinc/82/53/32/666825332.db2.gz DZCABHMENNEOIZ-TVFCKZIOSA-N 2 2 351.491 0.950 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000731756808 666837507 /nfs/dbraw/zinc/83/75/07/666837507.db2.gz PDXCFHSUWLRUJP-HNNXBMFYSA-N 2 2 374.551 0.669 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731752744 666837612 /nfs/dbraw/zinc/83/76/12/666837612.db2.gz OAUXJKZOKNMTGJ-OAHLLOKOSA-N 2 2 374.551 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731752744 666837613 /nfs/dbraw/zinc/83/76/13/666837613.db2.gz OAUXJKZOKNMTGJ-OAHLLOKOSA-N 2 2 374.551 0.525 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000733040382 666982257 /nfs/dbraw/zinc/98/22/57/666982257.db2.gz CYNASPDFCUJZLE-UHFFFAOYSA-N 2 2 360.524 0.233 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999498611 667240962 /nfs/dbraw/zinc/24/09/62/667240962.db2.gz WYYCHHSMMXKHNH-MGPQQGTHSA-N 2 2 367.519 0.900 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999498611 667240963 /nfs/dbraw/zinc/24/09/63/667240963.db2.gz WYYCHHSMMXKHNH-MGPQQGTHSA-N 2 2 367.519 0.900 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC[C@H](C)C3)C2)CC[N@@H+]1C ZINC001031682482 667264356 /nfs/dbraw/zinc/26/43/56/667264356.db2.gz LLXYLHDCQBUFDS-ZMSDIMECSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC[C@H](C)C3)C2)CC[N@H+]1C ZINC001031682482 667264362 /nfs/dbraw/zinc/26/43/62/667264362.db2.gz LLXYLHDCQBUFDS-ZMSDIMECSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684945 667731934 /nfs/dbraw/zinc/73/19/34/667731934.db2.gz HQIKMIZOQQUCRD-CJNGLKHVSA-N 2 2 372.535 0.277 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757684945 667731936 /nfs/dbraw/zinc/73/19/36/667731936.db2.gz HQIKMIZOQQUCRD-CJNGLKHVSA-N 2 2 372.535 0.277 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCc3cccs3)CCO2)O1 ZINC001035424881 667780258 /nfs/dbraw/zinc/78/02/58/667780258.db2.gz SQFZDMMVPHYWQG-HLLBOEOZSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCc3cccs3)CCO2)O1 ZINC001035424881 667780262 /nfs/dbraw/zinc/78/02/62/667780262.db2.gz SQFZDMMVPHYWQG-HLLBOEOZSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCc3cccs3)CCO2)O1 ZINC001035424881 667780267 /nfs/dbraw/zinc/78/02/67/667780267.db2.gz SQFZDMMVPHYWQG-HLLBOEOZSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCc3cccs3)CCO2)O1 ZINC001035424881 667780270 /nfs/dbraw/zinc/78/02/70/667780270.db2.gz SQFZDMMVPHYWQG-HLLBOEOZSA-N 2 2 367.515 0.827 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CCS(C)(=O)=O)C3)CC2)CC[N@@H+]1C ZINC001035710497 667790194 /nfs/dbraw/zinc/79/01/94/667790194.db2.gz MEZOGHVPEKDPRJ-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](CCS(C)(=O)=O)C3)CC2)CC[N@H+]1C ZINC001035710497 667790195 /nfs/dbraw/zinc/79/01/95/667790195.db2.gz MEZOGHVPEKDPRJ-JKSUJKDBSA-N 2 2 371.547 0.686 20 0 FCADLP COc1c(C)c[nH+]c(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1C ZINC000923434385 667835315 /nfs/dbraw/zinc/83/53/15/667835315.db2.gz XBHLSRHUAPDHPS-UHFFFAOYSA-N 2 2 354.476 0.126 20 0 FCADLP O=S(=O)(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CC[NH2+]CC1 ZINC000923591886 667854094 /nfs/dbraw/zinc/85/40/94/667854094.db2.gz GNFPIJORKAORIY-UHFFFAOYSA-N 2 2 374.457 0.669 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H]([C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304924 667886207 /nfs/dbraw/zinc/88/62/07/667886207.db2.gz SAURFENQHUFEAH-VNQPRFMTSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H]([C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304924 667886211 /nfs/dbraw/zinc/88/62/11/667886211.db2.gz SAURFENQHUFEAH-VNQPRFMTSA-N 2 2 350.463 0.502 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761752713 667894971 /nfs/dbraw/zinc/89/49/71/667894971.db2.gz KGHUQVYEMZUGGO-QGZVFWFLSA-N 2 2 350.463 0.921 20 0 FCADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000765417814 668006302 /nfs/dbraw/zinc/00/63/02/668006302.db2.gz WQABNGUTJVIFNW-LBPRGKRZSA-N 2 2 353.854 0.816 20 0 FCADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766250562 668025067 /nfs/dbraw/zinc/02/50/67/668025067.db2.gz QLOWEVRFJSNOSL-UHFFFAOYSA-N 2 2 351.451 0.894 20 0 FCADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766250562 668025069 /nfs/dbraw/zinc/02/50/69/668025069.db2.gz QLOWEVRFJSNOSL-UHFFFAOYSA-N 2 2 351.451 0.894 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511554 668153988 /nfs/dbraw/zinc/15/39/88/668153988.db2.gz TUUAEAQOAWSZNZ-ZBFHGGJFSA-N 2 2 350.463 0.080 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511554 668153994 /nfs/dbraw/zinc/15/39/94/668153994.db2.gz TUUAEAQOAWSZNZ-ZBFHGGJFSA-N 2 2 350.463 0.080 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511547 668154015 /nfs/dbraw/zinc/15/40/15/668154015.db2.gz TUUAEAQOAWSZNZ-GDBMZVCRSA-N 2 2 350.463 0.080 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511547 668154018 /nfs/dbraw/zinc/15/40/18/668154018.db2.gz TUUAEAQOAWSZNZ-GDBMZVCRSA-N 2 2 350.463 0.080 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCOCC3(CCCC3)C1)C2=O ZINC000774656697 668164443 /nfs/dbraw/zinc/16/44/43/668164443.db2.gz XNCOFRKVLSZBIP-UHFFFAOYSA-N 2 2 350.463 0.853 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCOCC3(CCCC3)C1)C2=O ZINC000774656697 668164447 /nfs/dbraw/zinc/16/44/47/668164447.db2.gz XNCOFRKVLSZBIP-UHFFFAOYSA-N 2 2 350.463 0.853 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CN1CC[NH+]1CCOCC1 ZINC000775408659 668213995 /nfs/dbraw/zinc/21/39/95/668213995.db2.gz BFANSHNERDWQDS-IVSAIRAKSA-N 2 2 371.572 0.889 20 0 FCADLP COC(=O)N1CC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000771771795 668272017 /nfs/dbraw/zinc/27/20/17/668272017.db2.gz JWCXQUUYWVRXNP-OAHLLOKOSA-N 2 2 353.467 0.247 20 0 FCADLP COC(=O)N1CC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000771771795 668272020 /nfs/dbraw/zinc/27/20/20/668272020.db2.gz JWCXQUUYWVRXNP-OAHLLOKOSA-N 2 2 353.467 0.247 20 0 FCADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000785470418 668714040 /nfs/dbraw/zinc/71/40/40/668714040.db2.gz PHGZDZZDQSBDEY-CYBMUJFWSA-N 2 2 372.311 0.679 20 0 FCADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000787764207 668809003 /nfs/dbraw/zinc/80/90/03/668809003.db2.gz MJTCIANWVASDBH-MCIONIFRSA-N 2 2 359.467 0.440 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372868 668875852 /nfs/dbraw/zinc/87/58/52/668875852.db2.gz UJRVELZCBXPKTE-MAUKXSAKSA-N 2 2 350.463 0.709 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372868 668875854 /nfs/dbraw/zinc/87/58/54/668875854.db2.gz UJRVELZCBXPKTE-MAUKXSAKSA-N 2 2 350.463 0.709 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806210372 669398700 /nfs/dbraw/zinc/39/87/00/669398700.db2.gz OGJXMPNUNQSCCW-KBPBESRZSA-N 2 2 356.536 0.529 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806210372 669398701 /nfs/dbraw/zinc/39/87/01/669398701.db2.gz OGJXMPNUNQSCCW-KBPBESRZSA-N 2 2 356.536 0.529 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806210375 669399020 /nfs/dbraw/zinc/39/90/20/669399020.db2.gz OGJXMPNUNQSCCW-ZIAGYGMSSA-N 2 2 356.536 0.529 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806210375 669399027 /nfs/dbraw/zinc/39/90/27/669399027.db2.gz OGJXMPNUNQSCCW-ZIAGYGMSSA-N 2 2 356.536 0.529 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807051654 669463467 /nfs/dbraw/zinc/46/34/67/669463467.db2.gz LSOUMHYECZYVIC-GDBMZVCRSA-N 2 2 370.563 0.871 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807051654 669463472 /nfs/dbraw/zinc/46/34/72/669463472.db2.gz LSOUMHYECZYVIC-GDBMZVCRSA-N 2 2 370.563 0.871 20 0 FCADLP CS[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000807761737 669513112 /nfs/dbraw/zinc/51/31/12/669513112.db2.gz KASUXSCXVPYDCG-GOEBONIOSA-N 2 2 370.563 0.871 20 0 FCADLP CS[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000807761737 669513115 /nfs/dbraw/zinc/51/31/15/669513115.db2.gz KASUXSCXVPYDCG-GOEBONIOSA-N 2 2 370.563 0.871 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000828054011 669612787 /nfs/dbraw/zinc/61/27/87/669612787.db2.gz MYCFUHHMZXWGJN-ZDUSSCGKSA-N 2 2 354.838 0.921 20 0 FCADLP Cn1nnc(Br)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000810392731 669676783 /nfs/dbraw/zinc/67/67/83/669676783.db2.gz FVPSMSNQSOAHOK-SNVBAGLBSA-N 2 2 371.283 0.476 20 0 FCADLP Cn1nnc(Br)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000810392731 669676786 /nfs/dbraw/zinc/67/67/86/669676786.db2.gz FVPSMSNQSOAHOK-SNVBAGLBSA-N 2 2 371.283 0.476 20 0 FCADLP C[C@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCC[NH2+]C1 ZINC000829115989 669684254 /nfs/dbraw/zinc/68/42/54/669684254.db2.gz MZALIVBSVOCSNB-CABCVRRESA-N 2 2 359.536 0.637 20 0 FCADLP CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831165914 669833043 /nfs/dbraw/zinc/83/30/43/669833043.db2.gz RTGOAZRGLLNBTB-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831165914 669833046 /nfs/dbraw/zinc/83/30/46/669833046.db2.gz RTGOAZRGLLNBTB-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000831563448 669853078 /nfs/dbraw/zinc/85/30/78/669853078.db2.gz OIGVHAHOXKGWLK-QWHCGFSZSA-N 2 2 362.396 0.103 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000831563448 669853082 /nfs/dbraw/zinc/85/30/82/669853082.db2.gz OIGVHAHOXKGWLK-QWHCGFSZSA-N 2 2 362.396 0.103 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843364834 670808390 /nfs/dbraw/zinc/80/83/90/670808390.db2.gz YCIXCNJMTPFOGF-UHFFFAOYSA-N 2 2 365.499 0.782 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843364834 670808400 /nfs/dbraw/zinc/80/84/00/670808400.db2.gz YCIXCNJMTPFOGF-UHFFFAOYSA-N 2 2 365.499 0.782 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000845047596 670960525 /nfs/dbraw/zinc/96/05/25/670960525.db2.gz OCSAXUXWPUKKSB-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000845047596 670960540 /nfs/dbraw/zinc/96/05/40/670960540.db2.gz OCSAXUXWPUKKSB-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCCCC[NH3+])CC2)o1 ZINC000846217834 671091187 /nfs/dbraw/zinc/09/11/87/671091187.db2.gz DVWYEBWZSCODPS-UHFFFAOYSA-N 2 2 358.464 0.204 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805969 671150371 /nfs/dbraw/zinc/15/03/71/671150371.db2.gz ITUDRZSYDITXHD-MRXNPFEDSA-N 2 2 358.527 0.784 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805969 671150373 /nfs/dbraw/zinc/15/03/73/671150373.db2.gz ITUDRZSYDITXHD-MRXNPFEDSA-N 2 2 358.527 0.784 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805969 671150376 /nfs/dbraw/zinc/15/03/76/671150376.db2.gz ITUDRZSYDITXHD-MRXNPFEDSA-N 2 2 358.527 0.784 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846805969 671150379 /nfs/dbraw/zinc/15/03/79/671150379.db2.gz ITUDRZSYDITXHD-MRXNPFEDSA-N 2 2 358.527 0.784 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957549 671161790 /nfs/dbraw/zinc/16/17/90/671161790.db2.gz LLCUIYYGWJGFNH-MCIONIFRSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957549 671161794 /nfs/dbraw/zinc/16/17/94/671161794.db2.gz LLCUIYYGWJGFNH-MCIONIFRSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957549 671161798 /nfs/dbraw/zinc/16/17/98/671161798.db2.gz LLCUIYYGWJGFNH-MCIONIFRSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957549 671161803 /nfs/dbraw/zinc/16/18/03/671161803.db2.gz LLCUIYYGWJGFNH-MCIONIFRSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004084 671165988 /nfs/dbraw/zinc/16/59/88/671165988.db2.gz NAJYZEDYHWWZBU-PBHICJAKSA-N 2 2 350.463 0.806 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004084 671165992 /nfs/dbraw/zinc/16/59/92/671165992.db2.gz NAJYZEDYHWWZBU-PBHICJAKSA-N 2 2 350.463 0.806 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087183 671486507 /nfs/dbraw/zinc/48/65/07/671486507.db2.gz FHPZJRQWUPITIE-OAHLLOKOSA-N 2 2 374.551 0.667 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087183 671486513 /nfs/dbraw/zinc/48/65/13/671486513.db2.gz FHPZJRQWUPITIE-OAHLLOKOSA-N 2 2 374.551 0.667 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1)[NH+]1CCOCC1 ZINC000110844532 671525560 /nfs/dbraw/zinc/52/55/60/671525560.db2.gz CVZPIYVUFIYKOP-OAHLLOKOSA-N 2 2 355.479 0.298 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1)[NH+]1CCOCC1 ZINC000110844532 671525562 /nfs/dbraw/zinc/52/55/62/671525562.db2.gz CVZPIYVUFIYKOP-OAHLLOKOSA-N 2 2 355.479 0.298 20 0 FCADLP Cc1c([C@H]2C[N@H+](Cc3ncc(C[NH+](C)C)s3)C[C@@H]2C(N)=O)cnn1C ZINC000857826728 671743972 /nfs/dbraw/zinc/74/39/72/671743972.db2.gz ZIJTXFWVIUNEHE-CABCVRRESA-N 2 2 362.503 0.948 20 0 FCADLP Cc1c([C@H]2C[N@@H+](Cc3ncc(C[NH+](C)C)s3)C[C@@H]2C(N)=O)cnn1C ZINC000857826728 671743976 /nfs/dbraw/zinc/74/39/76/671743976.db2.gz ZIJTXFWVIUNEHE-CABCVRRESA-N 2 2 362.503 0.948 20 0 FCADLP CON(C)C(=O)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000858189108 671751974 /nfs/dbraw/zinc/75/19/74/671751974.db2.gz FSZQECXIPVIVHP-CYBMUJFWSA-N 2 2 355.483 0.253 20 0 FCADLP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608909 675961778 /nfs/dbraw/zinc/96/17/78/675961778.db2.gz STHUXHLFXRJQAB-TVFCKZIOSA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608909 675961780 /nfs/dbraw/zinc/96/17/80/675961780.db2.gz STHUXHLFXRJQAB-TVFCKZIOSA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608903 675961792 /nfs/dbraw/zinc/96/17/92/675961792.db2.gz STHUXHLFXRJQAB-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608903 675961794 /nfs/dbraw/zinc/96/17/94/675961794.db2.gz STHUXHLFXRJQAB-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740725 675966049 /nfs/dbraw/zinc/96/60/49/675966049.db2.gz KJFKOOVYJJJMHD-QZTJIDSGSA-N 2 2 352.523 0.093 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC3(C[NH+](CCC4CC4)C3)O2)O1 ZINC001053617975 675996515 /nfs/dbraw/zinc/99/65/15/675996515.db2.gz LRQOCXQJOYOAJF-HYVNUMGLSA-N 2 2 351.491 0.855 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC3(C[NH+](CCC4CC4)C3)O2)O1 ZINC001053617975 675996516 /nfs/dbraw/zinc/99/65/16/675996516.db2.gz LRQOCXQJOYOAJF-HYVNUMGLSA-N 2 2 351.491 0.855 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000877435005 673013745 /nfs/dbraw/zinc/01/37/45/673013745.db2.gz WPKZPSNFWPFFQQ-IJEWVQPXSA-N 2 2 350.467 0.561 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000877435005 673013748 /nfs/dbraw/zinc/01/37/48/673013748.db2.gz WPKZPSNFWPFFQQ-IJEWVQPXSA-N 2 2 350.467 0.561 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878198060 673046758 /nfs/dbraw/zinc/04/67/58/673046758.db2.gz KIYGLPBYOKIVDC-DLBZAZTESA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878198060 673046760 /nfs/dbraw/zinc/04/67/60/673046760.db2.gz KIYGLPBYOKIVDC-DLBZAZTESA-N 2 2 351.491 0.953 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880496947 673196537 /nfs/dbraw/zinc/19/65/37/673196537.db2.gz APXOOVHROKMZTK-IAGOWNOFSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000883271968 673370156 /nfs/dbraw/zinc/37/01/56/673370156.db2.gz ZWWPYLOFJPHCLL-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000883271968 673370162 /nfs/dbraw/zinc/37/01/62/673370162.db2.gz ZWWPYLOFJPHCLL-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774437 673480865 /nfs/dbraw/zinc/48/08/65/673480865.db2.gz LCCJDWRCPSZNSR-HRCADAONSA-N 2 2 356.511 0.578 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774437 673480867 /nfs/dbraw/zinc/48/08/67/673480867.db2.gz LCCJDWRCPSZNSR-HRCADAONSA-N 2 2 356.511 0.578 20 0 FCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884976808 673495316 /nfs/dbraw/zinc/49/53/16/673495316.db2.gz AYOWGHMHTOJIMB-GFCCVEGCSA-N 2 2 351.476 0.057 20 0 FCADLP COC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000886786744 673598892 /nfs/dbraw/zinc/59/88/92/673598892.db2.gz IXTFCBXNSBDKCE-MJGOQNOKSA-N 2 2 355.523 0.814 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000925586739 673794763 /nfs/dbraw/zinc/79/47/63/673794763.db2.gz MMFKOUHAGIYHKF-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP CN(C(=O)NCCO[C@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927520722 673865390 /nfs/dbraw/zinc/86/53/90/673865390.db2.gz DQGIEFRWYITXMV-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)NCCO[C@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927520722 673865393 /nfs/dbraw/zinc/86/53/93/673865393.db2.gz DQGIEFRWYITXMV-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3C3CCOCC3)C[C@@H]21 ZINC000927637118 673873519 /nfs/dbraw/zinc/87/35/19/673873519.db2.gz NLZXJIOKLMSWPQ-IXDOHACOSA-N 2 2 352.479 0.354 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3C3CCOCC3)C[C@@H]21 ZINC000927637118 673873523 /nfs/dbraw/zinc/87/35/23/673873523.db2.gz NLZXJIOKLMSWPQ-IXDOHACOSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC000927637118 673873526 /nfs/dbraw/zinc/87/35/26/673873526.db2.gz NLZXJIOKLMSWPQ-IXDOHACOSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC000927637118 673873529 /nfs/dbraw/zinc/87/35/29/673873529.db2.gz NLZXJIOKLMSWPQ-IXDOHACOSA-N 2 2 352.479 0.354 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC000968728437 675227531 /nfs/dbraw/zinc/22/75/31/675227531.db2.gz OOTBXJJCPMZQCA-JHJVBQTASA-N 2 2 353.492 0.968 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC000968728437 675227536 /nfs/dbraw/zinc/22/75/36/675227536.db2.gz OOTBXJJCPMZQCA-JHJVBQTASA-N 2 2 353.492 0.968 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001014927233 675393974 /nfs/dbraw/zinc/39/39/74/675393974.db2.gz ZAWWFIXDCZEPRU-IVMMDQJWSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001014927233 675393978 /nfs/dbraw/zinc/39/39/78/675393978.db2.gz ZAWWFIXDCZEPRU-IVMMDQJWSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001014927233 675393980 /nfs/dbraw/zinc/39/39/80/675393980.db2.gz ZAWWFIXDCZEPRU-IVMMDQJWSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001014927233 675393983 /nfs/dbraw/zinc/39/39/83/675393983.db2.gz ZAWWFIXDCZEPRU-IVMMDQJWSA-N 2 2 350.463 0.955 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015355043 675395805 /nfs/dbraw/zinc/39/58/05/675395805.db2.gz CDDVHKQDDXLFST-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001015355043 675395808 /nfs/dbraw/zinc/39/58/08/675395808.db2.gz CDDVHKQDDXLFST-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2cnns2)CC3)O1 ZINC001016691626 675404656 /nfs/dbraw/zinc/40/46/56/675404656.db2.gz WUKRQEHQAPBZOH-YUELXQCFSA-N 2 2 365.503 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2cnns2)CC3)O1 ZINC001016691626 675404659 /nfs/dbraw/zinc/40/46/59/675404659.db2.gz WUKRQEHQAPBZOH-YUELXQCFSA-N 2 2 365.503 0.728 20 0 FCADLP CCCc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001020287205 675439551 /nfs/dbraw/zinc/43/95/51/675439551.db2.gz XQZBKGAQHOOBQI-AAVRWANBSA-N 2 2 367.519 0.947 20 0 FCADLP CCCc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001020287205 675439552 /nfs/dbraw/zinc/43/95/52/675439552.db2.gz XQZBKGAQHOOBQI-AAVRWANBSA-N 2 2 367.519 0.947 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038395330 675443849 /nfs/dbraw/zinc/44/38/49/675443849.db2.gz DJTULRHUYXXAPA-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038395330 675443851 /nfs/dbraw/zinc/44/38/51/675443851.db2.gz DJTULRHUYXXAPA-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038395330 675443853 /nfs/dbraw/zinc/44/38/53/675443853.db2.gz DJTULRHUYXXAPA-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038395330 675443855 /nfs/dbraw/zinc/44/38/55/675443855.db2.gz DJTULRHUYXXAPA-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001041498353 675525801 /nfs/dbraw/zinc/52/58/01/675525801.db2.gz OGNIFGVVWYSHAC-AOIWGVFYSA-N 2 2 351.491 0.811 20 0 FCADLP CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001041498353 675525803 /nfs/dbraw/zinc/52/58/03/675525803.db2.gz OGNIFGVVWYSHAC-AOIWGVFYSA-N 2 2 351.491 0.811 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417022 675714423 /nfs/dbraw/zinc/71/44/23/675714423.db2.gz HICJUWSZKWHNNW-FRFSOERESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417022 675714424 /nfs/dbraw/zinc/71/44/24/675714424.db2.gz HICJUWSZKWHNNW-FRFSOERESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417022 675714426 /nfs/dbraw/zinc/71/44/26/675714426.db2.gz HICJUWSZKWHNNW-FRFSOERESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001046417022 675714430 /nfs/dbraw/zinc/71/44/30/675714430.db2.gz HICJUWSZKWHNNW-FRFSOERESA-N 2 2 369.897 0.836 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000900868125 675724979 /nfs/dbraw/zinc/72/49/79/675724979.db2.gz XOSMGRGRCHAYNO-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801577096 675792917 /nfs/dbraw/zinc/79/29/17/675792917.db2.gz JCGJHGYNDLDTBC-GOSISDBHSA-N 2 2 354.495 0.997 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000801577096 675792920 /nfs/dbraw/zinc/79/29/20/675792920.db2.gz JCGJHGYNDLDTBC-GOSISDBHSA-N 2 2 354.495 0.997 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccsc3)C[C@@H]2O)O1 ZINC001047428334 675799157 /nfs/dbraw/zinc/79/91/57/675799157.db2.gz GPXPEIIVJFVVSP-SYAUCNOPSA-N 2 2 353.488 0.471 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccsc3)C[C@@H]2O)O1 ZINC001047428334 675799161 /nfs/dbraw/zinc/79/91/61/675799161.db2.gz GPXPEIIVJFVVSP-SYAUCNOPSA-N 2 2 353.488 0.471 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O)O1 ZINC001047428334 675799164 /nfs/dbraw/zinc/79/91/64/675799164.db2.gz GPXPEIIVJFVVSP-SYAUCNOPSA-N 2 2 353.488 0.471 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O)O1 ZINC001047428334 675799167 /nfs/dbraw/zinc/79/91/67/675799167.db2.gz GPXPEIIVJFVVSP-SYAUCNOPSA-N 2 2 353.488 0.471 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897488754 1192191594 /nfs/dbraw/zinc/19/15/94/1192191594.db2.gz LJCYVKUPSGIJLG-GJZGRUSLSA-N 2 2 356.430 0.520 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000988496427 1192225739 /nfs/dbraw/zinc/22/57/39/1192225739.db2.gz ISWQUMBELFBAQV-PVAVHDDUSA-N 2 2 361.490 0.943 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020603497 1168148097 /nfs/dbraw/zinc/14/80/97/1168148097.db2.gz CGGYGUGRAOHLJI-KJWHEZOQSA-N 2 2 355.446 0.539 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001020604141 1168149947 /nfs/dbraw/zinc/14/99/47/1168149947.db2.gz ZAWZRYUFYJYXPH-AAVRWANBSA-N 2 2 361.425 0.522 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000970012530 1168278836 /nfs/dbraw/zinc/27/88/36/1168278836.db2.gz CCHYRQINJFCXQH-RBSFLKMASA-N 2 2 356.430 0.713 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)Nc1ncccn1 ZINC001266390987 1168369792 /nfs/dbraw/zinc/36/97/92/1168369792.db2.gz UZLGFCZNASUOGE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)C(=O)Nc1ncccn1 ZINC001266390987 1168369796 /nfs/dbraw/zinc/36/97/96/1168369796.db2.gz UZLGFCZNASUOGE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)Nc1ncccn1 ZINC001266390987 1168369800 /nfs/dbraw/zinc/36/98/00/1168369800.db2.gz UZLGFCZNASUOGE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)Nc1ncccn1 ZINC001266390987 1168369807 /nfs/dbraw/zinc/36/98/07/1168369807.db2.gz UZLGFCZNASUOGE-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCc2ccnn2C)C1 ZINC000970439632 1168868334 /nfs/dbraw/zinc/86/83/34/1168868334.db2.gz KQJJBWAPTFOFSK-IAOVAPTHSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000121571890 1168882478 /nfs/dbraw/zinc/88/24/78/1168882478.db2.gz OJUBYCRMHZWVKS-HZPDHXFCSA-N 2 2 373.505 0.523 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000121571890 1168882480 /nfs/dbraw/zinc/88/24/80/1168882480.db2.gz OJUBYCRMHZWVKS-HZPDHXFCSA-N 2 2 373.505 0.523 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486262 1169075639 /nfs/dbraw/zinc/07/56/39/1169075639.db2.gz IXKVQKZXIQNSQG-BXWFABGCSA-N 2 2 364.490 0.578 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548001094 1169204162 /nfs/dbraw/zinc/20/41/62/1169204162.db2.gz NCRWPSWWUCKSTH-HNNXBMFYSA-N 2 2 362.478 0.394 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489468 1169462478 /nfs/dbraw/zinc/46/24/78/1169462478.db2.gz WOPZKSQUEIRQKI-LSDHHAIUSA-N 2 2 356.430 0.607 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@H]32)C1 ZINC001021698817 1169892823 /nfs/dbraw/zinc/89/28/23/1169892823.db2.gz HQNOUAWGFDQNLL-RRFJBIMHSA-N 2 2 359.474 0.698 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@H]32)C1 ZINC001021698817 1169892827 /nfs/dbraw/zinc/89/28/27/1169892827.db2.gz HQNOUAWGFDQNLL-RRFJBIMHSA-N 2 2 359.474 0.698 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104315274 1169905355 /nfs/dbraw/zinc/90/53/55/1169905355.db2.gz NKPNBYYAZOAIKR-KLHDSHLOSA-N 2 2 374.489 0.613 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104315274 1169905374 /nfs/dbraw/zinc/90/53/74/1169905374.db2.gz NKPNBYYAZOAIKR-KLHDSHLOSA-N 2 2 374.489 0.613 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]21 ZINC001021708420 1169907294 /nfs/dbraw/zinc/90/72/94/1169907294.db2.gz CNJURDNMINLKOI-ZMSDIMECSA-N 2 2 371.485 0.985 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]21 ZINC001021708419 1169907869 /nfs/dbraw/zinc/90/78/69/1169907869.db2.gz CNJURDNMINLKOI-YQQAZPJKSA-N 2 2 371.485 0.985 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC001021802296 1170075333 /nfs/dbraw/zinc/07/53/33/1170075333.db2.gz YZBNULLTYLPVMZ-QKPAOTATSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC[N@H+]1C ZINC001021802296 1170075338 /nfs/dbraw/zinc/07/53/38/1170075338.db2.gz YZBNULLTYLPVMZ-QKPAOTATSA-N 2 2 359.474 0.742 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001021997571 1170367812 /nfs/dbraw/zinc/36/78/12/1170367812.db2.gz VNYLBDIJXMPLEN-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001022036736 1170453150 /nfs/dbraw/zinc/45/31/50/1170453150.db2.gz RSECBIUAZDVBOP-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988727370 1192414676 /nfs/dbraw/zinc/41/46/76/1192414676.db2.gz MGOYRWABXVKOOT-PMPSAXMXSA-N 2 2 359.474 0.647 20 0 FCADLP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363813 1170491826 /nfs/dbraw/zinc/49/18/26/1170491826.db2.gz JBTRAEHJZOLPPI-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217297 1170765320 /nfs/dbraw/zinc/76/53/20/1170765320.db2.gz JPHYMTRHWRETFO-JKSUJKDBSA-N 2 2 357.458 0.428 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001022252356 1170807478 /nfs/dbraw/zinc/80/74/78/1170807478.db2.gz YOAPOCHKXBOZGE-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001022252356 1170807480 /nfs/dbraw/zinc/80/74/80/1170807480.db2.gz YOAPOCHKXBOZGE-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691253625 1170891612 /nfs/dbraw/zinc/89/16/12/1170891612.db2.gz MVDIWKFRGYSNNM-UONOGXRCSA-N 2 2 350.467 0.534 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1)[NH+](C)C ZINC001022391209 1170981518 /nfs/dbraw/zinc/98/15/18/1170981518.db2.gz QJCVWGANWZRJBD-BHYGNILZSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000153918796 1171053890 /nfs/dbraw/zinc/05/38/90/1171053890.db2.gz AXYGCGNNTLSSEM-IYBDPMFKSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000153918796 1171053900 /nfs/dbraw/zinc/05/39/00/1171053900.db2.gz AXYGCGNNTLSSEM-IYBDPMFKSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@@H+]1C ZINC001022524601 1171364008 /nfs/dbraw/zinc/36/40/08/1171364008.db2.gz YNROWOKKYORLNW-YHUYYLMFSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@H+]1C ZINC001022524601 1171364014 /nfs/dbraw/zinc/36/40/14/1171364014.db2.gz YNROWOKKYORLNW-YHUYYLMFSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001087193853 1171394488 /nfs/dbraw/zinc/39/44/88/1171394488.db2.gz PATNASYEICMHHI-PMPSAXMXSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000988773585 1192464062 /nfs/dbraw/zinc/46/40/62/1192464062.db2.gz IWOFRRIQPFYZRY-HFTRVMKXSA-N 2 2 359.474 0.863 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)C1CC1 ZINC000971966102 1171469477 /nfs/dbraw/zinc/46/94/77/1171469477.db2.gz OXPBMMVUVHOJMO-IIDMSEBBSA-N 2 2 359.474 0.742 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083237861 1171602434 /nfs/dbraw/zinc/60/24/34/1171602434.db2.gz AEKWKOQEZBYKEV-BHYGNILZSA-N 2 2 366.506 0.153 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083237861 1171602442 /nfs/dbraw/zinc/60/24/42/1171602442.db2.gz AEKWKOQEZBYKEV-BHYGNILZSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001022718015 1171806897 /nfs/dbraw/zinc/80/68/97/1171806897.db2.gz QYSNEOLIJWROGS-YQQAZPJKSA-N 2 2 359.474 0.506 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001022718015 1171806898 /nfs/dbraw/zinc/80/68/98/1171806898.db2.gz QYSNEOLIJWROGS-YQQAZPJKSA-N 2 2 359.474 0.506 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC001022723764 1171817646 /nfs/dbraw/zinc/81/76/46/1171817646.db2.gz FKQDKZGAUAWMHK-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001022734049 1171835004 /nfs/dbraw/zinc/83/50/04/1171835004.db2.gz ILOGTKOXROFENF-QKPAOTATSA-N 2 2 355.442 0.659 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249215 1172013802 /nfs/dbraw/zinc/01/38/02/1172013802.db2.gz SPQWGZQSKKNBIV-DLBZAZTESA-N 2 2 360.458 0.799 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249215 1172013807 /nfs/dbraw/zinc/01/38/07/1172013807.db2.gz SPQWGZQSKKNBIV-DLBZAZTESA-N 2 2 360.458 0.799 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3COCC[NH2+]3)C2)cc1 ZINC000892289955 1172022930 /nfs/dbraw/zinc/02/29/30/1172022930.db2.gz PBZCIXTZSCDQMD-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3COCC[NH2+]3)C2)cc1 ZINC000892289955 1172022938 /nfs/dbraw/zinc/02/29/38/1172022938.db2.gz PBZCIXTZSCDQMD-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c1 ZINC001083249666 1172026939 /nfs/dbraw/zinc/02/69/39/1172026939.db2.gz QSDULEZQHUJOMQ-ZWKOTPCHSA-N 2 2 356.470 0.897 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c1 ZINC001083249666 1172026945 /nfs/dbraw/zinc/02/69/45/1172026945.db2.gz QSDULEZQHUJOMQ-ZWKOTPCHSA-N 2 2 356.470 0.897 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC000972375919 1172032146 /nfs/dbraw/zinc/03/21/46/1172032146.db2.gz RVHCAAXPOQUNMX-RBSFLKMASA-N 2 2 360.462 0.082 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000972375919 1172032155 /nfs/dbraw/zinc/03/21/55/1172032155.db2.gz RVHCAAXPOQUNMX-RBSFLKMASA-N 2 2 360.462 0.082 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022842648 1172049629 /nfs/dbraw/zinc/04/96/29/1172049629.db2.gz XRNGBSFFNCYFCB-USXIJHARSA-N 2 2 357.458 0.353 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1)[NH+]1CCCC1 ZINC001022843388 1172051431 /nfs/dbraw/zinc/05/14/31/1172051431.db2.gz JGFCYOLCZZHPOW-GOEBONIOSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022846127 1172054949 /nfs/dbraw/zinc/05/49/49/1172054949.db2.gz RBDYGADDTDNOOE-USXIJHARSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022846127 1172054961 /nfs/dbraw/zinc/05/49/61/1172054961.db2.gz RBDYGADDTDNOOE-USXIJHARSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@@H+]1C ZINC001022845832 1172057228 /nfs/dbraw/zinc/05/72/28/1172057228.db2.gz CUXCNYBGMYAXPI-QBYUYEEZSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@H+]1C ZINC001022845832 1172057237 /nfs/dbraw/zinc/05/72/37/1172057237.db2.gz CUXCNYBGMYAXPI-QBYUYEEZSA-N 2 2 359.474 0.742 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+]2CCOCC2)[nH]1 ZINC001087226508 1172080908 /nfs/dbraw/zinc/08/09/08/1172080908.db2.gz YRNYFZGSWXTHPP-ZBFHGGJFSA-N 2 2 364.494 0.552 20 0 FCADLP O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)C12CC[NH+](CC1)C2 ZINC000947243948 1172094697 /nfs/dbraw/zinc/09/46/97/1172094697.db2.gz WCUDEWXRVOQOKC-HUUCEWRRSA-N 2 2 357.458 0.716 20 0 FCADLP O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)C12CC[NH+](CC1)C2 ZINC000947243948 1172094707 /nfs/dbraw/zinc/09/47/07/1172094707.db2.gz WCUDEWXRVOQOKC-HUUCEWRRSA-N 2 2 357.458 0.716 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988993295 1192606632 /nfs/dbraw/zinc/60/66/32/1192606632.db2.gz OYHIPKBEJMXYEX-LVQVYYBASA-N 2 2 363.462 0.016 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988993295 1192606638 /nfs/dbraw/zinc/60/66/38/1192606638.db2.gz OYHIPKBEJMXYEX-LVQVYYBASA-N 2 2 363.462 0.016 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000988987012 1192614850 /nfs/dbraw/zinc/61/48/50/1192614850.db2.gz CLLZYXMIPROWLF-VYDXJSESSA-N 2 2 370.457 0.756 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CCc1[nH+]ccn1C ZINC000989064603 1192668819 /nfs/dbraw/zinc/66/88/19/1192668819.db2.gz KVAYEDVHTYOUJF-CABCVRRESA-N 2 2 359.474 0.554 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088621258 1192682568 /nfs/dbraw/zinc/68/25/68/1192682568.db2.gz WPSIXEPVNQAZHE-PMPSAXMXSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088621258 1192682572 /nfs/dbraw/zinc/68/25/72/1192682572.db2.gz WPSIXEPVNQAZHE-PMPSAXMXSA-N 2 2 359.474 0.962 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088680034 1192818191 /nfs/dbraw/zinc/81/81/91/1192818191.db2.gz AYRIWLXKHHFRAN-SNPRPXQTSA-N 2 2 357.462 0.694 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088680034 1192818193 /nfs/dbraw/zinc/81/81/93/1192818193.db2.gz AYRIWLXKHHFRAN-SNPRPXQTSA-N 2 2 357.462 0.694 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088680034 1192818196 /nfs/dbraw/zinc/81/81/96/1192818196.db2.gz AYRIWLXKHHFRAN-SNPRPXQTSA-N 2 2 357.462 0.694 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088680034 1192818198 /nfs/dbraw/zinc/81/81/98/1192818198.db2.gz AYRIWLXKHHFRAN-SNPRPXQTSA-N 2 2 357.462 0.694 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2ncnc3c2C[NH+](C)CC3)CC[N@@H+]1C ZINC001105580694 1192834087 /nfs/dbraw/zinc/83/40/87/1192834087.db2.gz LWNNFPACXLWIMA-HUUCEWRRSA-N 2 2 360.506 0.699 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2ncnc3c2C[NH+](C)CC3)CC[N@H+]1C ZINC001105580694 1192834089 /nfs/dbraw/zinc/83/40/89/1192834089.db2.gz LWNNFPACXLWIMA-HUUCEWRRSA-N 2 2 360.506 0.699 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2ncnc3c2C[N@H+](C)CC3)CC[NH+]1C ZINC001105580694 1192834090 /nfs/dbraw/zinc/83/40/90/1192834090.db2.gz LWNNFPACXLWIMA-HUUCEWRRSA-N 2 2 360.506 0.699 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)c2ncnc3c2C[N@@H+](C)CC3)CC[NH+]1C ZINC001105580694 1192834094 /nfs/dbraw/zinc/83/40/94/1192834094.db2.gz LWNNFPACXLWIMA-HUUCEWRRSA-N 2 2 360.506 0.699 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001691563859 1192883394 /nfs/dbraw/zinc/88/33/94/1192883394.db2.gz HPUZDSPDXOULHX-BBWFWOEESA-N 2 2 361.490 0.968 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001691563859 1192883395 /nfs/dbraw/zinc/88/33/95/1192883395.db2.gz HPUZDSPDXOULHX-BBWFWOEESA-N 2 2 361.490 0.968 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3nccs3)CC[C@@H]2C1 ZINC001691570425 1192886905 /nfs/dbraw/zinc/88/69/05/1192886905.db2.gz FJFYOQXLCYKTLV-KGLIPLIRSA-N 2 2 365.503 0.814 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3nccs3)CC[C@@H]2C1 ZINC001691570425 1192886907 /nfs/dbraw/zinc/88/69/07/1192886907.db2.gz FJFYOQXLCYKTLV-KGLIPLIRSA-N 2 2 365.503 0.814 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001691573543 1192888153 /nfs/dbraw/zinc/88/81/53/1192888153.db2.gz XGWFKMMOQPURLU-CABCVRRESA-N 2 2 363.510 0.468 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001691573543 1192888155 /nfs/dbraw/zinc/88/81/55/1192888155.db2.gz XGWFKMMOQPURLU-CABCVRRESA-N 2 2 363.510 0.468 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001691573543 1192888156 /nfs/dbraw/zinc/88/81/56/1192888156.db2.gz XGWFKMMOQPURLU-CABCVRRESA-N 2 2 363.510 0.468 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001691573543 1192888157 /nfs/dbraw/zinc/88/81/57/1192888157.db2.gz XGWFKMMOQPURLU-CABCVRRESA-N 2 2 363.510 0.468 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH+]cn2C)C1=O ZINC001087236112 1179044100 /nfs/dbraw/zinc/04/41/00/1179044100.db2.gz IKUWUUCECNKPDQ-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112515748 1179078286 /nfs/dbraw/zinc/07/82/86/1179078286.db2.gz BEWGFRKBVJXKSN-QRFRQXIXSA-N 2 2 365.518 0.840 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112515748 1179078297 /nfs/dbraw/zinc/07/82/97/1179078297.db2.gz BEWGFRKBVJXKSN-QRFRQXIXSA-N 2 2 365.518 0.840 20 0 FCADLP COCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001023380457 1179509343 /nfs/dbraw/zinc/50/93/43/1179509343.db2.gz ZKWORGHOPXQRNV-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001023380457 1179509359 /nfs/dbraw/zinc/50/93/59/1179509359.db2.gz ZKWORGHOPXQRNV-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023380457 1179509373 /nfs/dbraw/zinc/50/93/73/1179509373.db2.gz ZKWORGHOPXQRNV-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2CCC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023380457 1179509392 /nfs/dbraw/zinc/50/93/92/1179509392.db2.gz ZKWORGHOPXQRNV-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP CCn1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023449906 1179750755 /nfs/dbraw/zinc/75/07/55/1179750755.db2.gz BPKGUNLVCQGEFE-JFIYKMOQSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023449906 1179750767 /nfs/dbraw/zinc/75/07/67/1179750767.db2.gz BPKGUNLVCQGEFE-JFIYKMOQSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023449906 1179750781 /nfs/dbraw/zinc/75/07/81/1179750781.db2.gz BPKGUNLVCQGEFE-JFIYKMOQSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023449906 1179750790 /nfs/dbraw/zinc/75/07/90/1179750790.db2.gz BPKGUNLVCQGEFE-JFIYKMOQSA-N 2 2 363.506 0.950 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001023600628 1179907806 /nfs/dbraw/zinc/90/78/06/1179907806.db2.gz IJHQYDOSIZASJZ-FVQBIDKESA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001023600628 1179907816 /nfs/dbraw/zinc/90/78/16/1179907816.db2.gz IJHQYDOSIZASJZ-FVQBIDKESA-N 2 2 359.474 0.630 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001087247803 1180001002 /nfs/dbraw/zinc/00/10/02/1180001002.db2.gz BEJRVNNZIZFSLG-NJAFHUGGSA-N 2 2 363.506 0.858 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001087247803 1180001014 /nfs/dbraw/zinc/00/10/14/1180001014.db2.gz BEJRVNNZIZFSLG-NJAFHUGGSA-N 2 2 363.506 0.858 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cn(C)nn2)C1 ZINC001087248327 1180005079 /nfs/dbraw/zinc/00/50/79/1180005079.db2.gz ZDEXYPYDMLYZIL-HYVNUMGLSA-N 2 2 364.494 0.253 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cn(C)nn2)C1 ZINC001087248327 1180005085 /nfs/dbraw/zinc/00/50/85/1180005085.db2.gz ZDEXYPYDMLYZIL-HYVNUMGLSA-N 2 2 364.494 0.253 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)n2)C1 ZINC001087248233 1180009949 /nfs/dbraw/zinc/00/99/49/1180009949.db2.gz UUWVIQVJFPFCER-HYVNUMGLSA-N 2 2 364.494 0.253 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnn(C)n2)C1 ZINC001087248233 1180009956 /nfs/dbraw/zinc/00/99/56/1180009956.db2.gz UUWVIQVJFPFCER-HYVNUMGLSA-N 2 2 364.494 0.253 20 0 FCADLP CN(CC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691481856 1180543101 /nfs/dbraw/zinc/54/31/01/1180543101.db2.gz OBAGAFMGCHVEBH-KFWWJZLASA-N 2 2 361.490 0.971 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)CCC1 ZINC000972738830 1180688035 /nfs/dbraw/zinc/68/80/35/1180688035.db2.gz HZWOEQOFOGHAHP-GDBMZVCRSA-N 2 2 359.474 0.886 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21)[NH+](C)C ZINC000972860072 1180896459 /nfs/dbraw/zinc/89/64/59/1180896459.db2.gz SAYUAFWHAIBSCX-BZUAXINKSA-N 2 2 361.490 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001024448701 1181188105 /nfs/dbraw/zinc/18/81/05/1181188105.db2.gz VXJPNALNDHSFSX-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001024448701 1181188112 /nfs/dbraw/zinc/18/81/12/1181188112.db2.gz VXJPNALNDHSFSX-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001024448701 1181188118 /nfs/dbraw/zinc/18/81/18/1181188118.db2.gz VXJPNALNDHSFSX-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001024448701 1181188124 /nfs/dbraw/zinc/18/81/24/1181188124.db2.gz VXJPNALNDHSFSX-SOUVJXGZSA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492658 1181240568 /nfs/dbraw/zinc/24/05/68/1181240568.db2.gz IYLJFUCPHNIJIG-CSMYWGQOSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665286 1181454728 /nfs/dbraw/zinc/45/47/28/1181454728.db2.gz BVOIKNMXRLMGPA-KURKYZTESA-N 2 2 358.486 0.788 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665286 1181454732 /nfs/dbraw/zinc/45/47/32/1181454732.db2.gz BVOIKNMXRLMGPA-KURKYZTESA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665286 1181454739 /nfs/dbraw/zinc/45/47/39/1181454739.db2.gz BVOIKNMXRLMGPA-KURKYZTESA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001024665286 1181454744 /nfs/dbraw/zinc/45/47/44/1181454744.db2.gz BVOIKNMXRLMGPA-KURKYZTESA-N 2 2 358.486 0.788 20 0 FCADLP C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000082985986 1181611912 /nfs/dbraw/zinc/61/19/12/1181611912.db2.gz KJETUJFOZPDSTH-LPHOPBHVSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000082985986 1181611917 /nfs/dbraw/zinc/61/19/17/1181611917.db2.gz KJETUJFOZPDSTH-LPHOPBHVSA-N 2 2 361.486 0.585 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024998571 1181843379 /nfs/dbraw/zinc/84/33/79/1181843379.db2.gz FJHDQVWMDBREEY-BZUAXINKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024998571 1181843382 /nfs/dbraw/zinc/84/33/82/1181843382.db2.gz FJHDQVWMDBREEY-BZUAXINKSA-N 2 2 364.494 0.488 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC000973000231 1181878312 /nfs/dbraw/zinc/87/83/12/1181878312.db2.gz OWJZKZTXNXLELC-HZPDHXFCSA-N 2 2 359.474 0.674 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC000973000231 1181878315 /nfs/dbraw/zinc/87/83/15/1181878315.db2.gz OWJZKZTXNXLELC-HZPDHXFCSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1CC[NH2+]CCOCCO ZINC001104665042 1182346360 /nfs/dbraw/zinc/34/63/60/1182346360.db2.gz ICHDMVDKVSLNIE-BZUAXINKSA-N 2 2 364.490 0.913 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104699554 1182379324 /nfs/dbraw/zinc/37/93/24/1182379324.db2.gz YDMVTAAYVYZXPS-KBUPBQIOSA-N 2 2 372.477 0.322 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104699457 1182379486 /nfs/dbraw/zinc/37/94/86/1182379486.db2.gz UMGJSMSUXVDPAC-KLHDSHLOSA-N 2 2 371.489 0.927 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021662 1182390386 /nfs/dbraw/zinc/39/03/86/1182390386.db2.gz ZNNXAINOORBWCO-LPHOPBHVSA-N 2 2 359.474 0.722 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021662 1182390388 /nfs/dbraw/zinc/39/03/88/1182390388.db2.gz ZNNXAINOORBWCO-LPHOPBHVSA-N 2 2 359.474 0.722 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892762179 1182480625 /nfs/dbraw/zinc/48/06/25/1182480625.db2.gz FZJUTDNGXIDMOP-ZACQAIPSSA-N 2 2 366.506 0.650 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054967 1182877240 /nfs/dbraw/zinc/87/72/40/1182877240.db2.gz QTMVRPNQCMQJRA-ALOQXXIVSA-N 2 2 357.458 0.191 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054967 1182877246 /nfs/dbraw/zinc/87/72/46/1182877246.db2.gz QTMVRPNQCMQJRA-ALOQXXIVSA-N 2 2 357.458 0.191 20 0 FCADLP C[C@H](NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C1CC1 ZINC001104840111 1182947315 /nfs/dbraw/zinc/94/73/15/1182947315.db2.gz UTQFFNZLRVEMCF-IJEWVQPXSA-N 2 2 361.490 0.941 20 0 FCADLP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104869079 1182967887 /nfs/dbraw/zinc/96/78/87/1182967887.db2.gz UWLUKPJAHWSSOU-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC1CC1 ZINC001104908752 1182990755 /nfs/dbraw/zinc/99/07/55/1182990755.db2.gz JLEIFGOIBCQCIR-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001105013165 1183066951 /nfs/dbraw/zinc/06/69/51/1183066951.db2.gz CWAGWMRLHKQZDX-VNHYZAJKSA-N 2 2 360.466 0.550 20 0 FCADLP O=C(N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000974270974 1183079031 /nfs/dbraw/zinc/07/90/31/1183079031.db2.gz BLCXSSNTWUUZCY-LXTVHRRPSA-N 2 2 357.458 0.905 20 0 FCADLP O=C(N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000974270974 1183079039 /nfs/dbraw/zinc/07/90/39/1183079039.db2.gz BLCXSSNTWUUZCY-LXTVHRRPSA-N 2 2 357.458 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001105097599 1183118426 /nfs/dbraw/zinc/11/84/26/1183118426.db2.gz SNAWCYQKYMRXNO-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1C ZINC001105101346 1183121955 /nfs/dbraw/zinc/12/19/55/1183121955.db2.gz HFDTUCAAKIRMQQ-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001105101870 1183122148 /nfs/dbraw/zinc/12/21/48/1183122148.db2.gz LKONBZQGMWBRPE-IXDOHACOSA-N 2 2 361.490 0.874 20 0 FCADLP COc1nccc(C[NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001105101619 1183122259 /nfs/dbraw/zinc/12/22/59/1183122259.db2.gz UOEOZGRLQOIIBL-HUUCEWRRSA-N 2 2 358.446 0.956 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CCCN1CCCC1=O ZINC001105104984 1183123022 /nfs/dbraw/zinc/12/30/22/1183123022.db2.gz IBRYGHGNCDVSRW-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP Cn1cnnc1C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001026562517 1183155603 /nfs/dbraw/zinc/15/56/03/1183155603.db2.gz FIYADVIRSNQSNG-NEXFUWMNSA-N 2 2 357.462 0.869 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC000974572642 1183353078 /nfs/dbraw/zinc/35/30/78/1183353078.db2.gz XYGVLJKOMLXUMF-GPMSIDNRSA-N 2 2 371.485 0.886 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC000974572664 1183353200 /nfs/dbraw/zinc/35/32/00/1183353200.db2.gz YHXNDDIPDMSBJB-SUMDDJOVSA-N 2 2 371.485 0.886 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC000974572643 1183353873 /nfs/dbraw/zinc/35/38/73/1183353873.db2.gz XYGVLJKOMLXUMF-MDZRGWNJSA-N 2 2 371.485 0.886 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000974687972 1183440592 /nfs/dbraw/zinc/44/05/92/1183440592.db2.gz JYIVETNCJJDZCL-GDBMZVCRSA-N 2 2 357.458 0.416 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000974686741 1183440800 /nfs/dbraw/zinc/44/08/00/1183440800.db2.gz CJUNSDZMEGPFSX-GDBMZVCRSA-N 2 2 359.474 0.804 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001026896652 1183468295 /nfs/dbraw/zinc/46/82/95/1183468295.db2.gz CWPSKARMGWLBEV-BZUAXINKSA-N 2 2 355.442 0.850 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001026896652 1183468297 /nfs/dbraw/zinc/46/82/97/1183468297.db2.gz CWPSKARMGWLBEV-BZUAXINKSA-N 2 2 355.442 0.850 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001026916373 1183490439 /nfs/dbraw/zinc/49/04/39/1183490439.db2.gz GUCUFHZSIOZPIN-VNHYZAJKSA-N 2 2 362.478 0.339 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001026916373 1183490441 /nfs/dbraw/zinc/49/04/41/1183490441.db2.gz GUCUFHZSIOZPIN-VNHYZAJKSA-N 2 2 362.478 0.339 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721549 1183498379 /nfs/dbraw/zinc/49/83/79/1183498379.db2.gz CCHSDFCIIUHALC-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721549 1183498384 /nfs/dbraw/zinc/49/83/84/1183498384.db2.gz CCHSDFCIIUHALC-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721549 1183498388 /nfs/dbraw/zinc/49/83/88/1183498388.db2.gz CCHSDFCIIUHALC-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)ncn1 ZINC000974721549 1183498394 /nfs/dbraw/zinc/49/83/94/1183498394.db2.gz CCHSDFCIIUHALC-DJIMGWMZSA-N 2 2 361.490 0.831 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC000975214484 1183777830 /nfs/dbraw/zinc/77/78/30/1183777830.db2.gz BRCKUZVZTGVWGY-BZUAXINKSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC000975214484 1183777832 /nfs/dbraw/zinc/77/78/32/1183777832.db2.gz BRCKUZVZTGVWGY-BZUAXINKSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC000975716804 1185632095 /nfs/dbraw/zinc/63/20/95/1185632095.db2.gz FOZMSTFKIADMIN-RDJZCZTQSA-N 2 2 370.457 0.617 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000975822395 1185818830 /nfs/dbraw/zinc/81/88/30/1185818830.db2.gz QLNHPQIROHUAJW-HOTGVXAUSA-N 2 2 371.485 0.888 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC000975931732 1185854169 /nfs/dbraw/zinc/85/41/69/1185854169.db2.gz XWEHKXHEMTVBLH-ULQDDVLXSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000978961078 1186036938 /nfs/dbraw/zinc/03/69/38/1186036938.db2.gz TUNPDIRSSLSNQM-IBEHDNSVSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000978961078 1186036941 /nfs/dbraw/zinc/03/69/41/1186036941.db2.gz TUNPDIRSSLSNQM-IBEHDNSVSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000979974246 1186153951 /nfs/dbraw/zinc/15/39/51/1186153951.db2.gz MPEVGNZMYMIOKW-NHMWIVBRSA-N 2 2 371.485 0.866 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000979974246 1186153962 /nfs/dbraw/zinc/15/39/62/1186153962.db2.gz MPEVGNZMYMIOKW-NHMWIVBRSA-N 2 2 371.485 0.866 20 0 FCADLP COc1ccnc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC001027966805 1186241446 /nfs/dbraw/zinc/24/14/46/1186241446.db2.gz VTDRPHVZRLTFKE-UWWQBHOKSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC001027966805 1186241450 /nfs/dbraw/zinc/24/14/50/1186241450.db2.gz VTDRPHVZRLTFKE-UWWQBHOKSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001027966805 1186241466 /nfs/dbraw/zinc/24/14/66/1186241466.db2.gz VTDRPHVZRLTFKE-UWWQBHOKSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001027966805 1186241471 /nfs/dbraw/zinc/24/14/71/1186241471.db2.gz VTDRPHVZRLTFKE-UWWQBHOKSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cncc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966345 1186241619 /nfs/dbraw/zinc/24/16/19/1186241619.db2.gz NTAHTNVDEBEPFS-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966345 1186241624 /nfs/dbraw/zinc/24/16/24/1186241624.db2.gz NTAHTNVDEBEPFS-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027966345 1186241627 /nfs/dbraw/zinc/24/16/27/1186241627.db2.gz NTAHTNVDEBEPFS-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027966345 1186241633 /nfs/dbraw/zinc/24/16/33/1186241633.db2.gz NTAHTNVDEBEPFS-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966427 1186241850 /nfs/dbraw/zinc/24/18/50/1186241850.db2.gz PUGAGIZPRGAQNJ-UKPHBRMFSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966427 1186241856 /nfs/dbraw/zinc/24/18/56/1186241856.db2.gz PUGAGIZPRGAQNJ-UKPHBRMFSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966427 1186241863 /nfs/dbraw/zinc/24/18/63/1186241863.db2.gz PUGAGIZPRGAQNJ-UKPHBRMFSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966427 1186241871 /nfs/dbraw/zinc/24/18/71/1186241871.db2.gz PUGAGIZPRGAQNJ-UKPHBRMFSA-N 2 2 364.494 0.406 20 0 FCADLP COc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)nn1 ZINC001027966893 1186243096 /nfs/dbraw/zinc/24/30/96/1186243096.db2.gz XGSNSQVSCLUTMJ-FVQBIDKESA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)nn1 ZINC001027966893 1186243103 /nfs/dbraw/zinc/24/31/03/1186243103.db2.gz XGSNSQVSCLUTMJ-FVQBIDKESA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001027966893 1186243108 /nfs/dbraw/zinc/24/31/08/1186243108.db2.gz XGSNSQVSCLUTMJ-FVQBIDKESA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001027966893 1186243115 /nfs/dbraw/zinc/24/31/15/1186243115.db2.gz XGSNSQVSCLUTMJ-FVQBIDKESA-N 2 2 363.462 0.285 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211696170 1186246339 /nfs/dbraw/zinc/24/63/39/1186246339.db2.gz APXZXMKLJBJFQQ-DLBZAZTESA-N 2 2 358.442 0.545 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2ccn(C)n2)C3)O1 ZINC000981842683 1186544634 /nfs/dbraw/zinc/54/46/34/1186544634.db2.gz HXOLAUVLMNHBNM-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2ccn(C)n2)C3)O1 ZINC000981842683 1186544637 /nfs/dbraw/zinc/54/46/37/1186544637.db2.gz HXOLAUVLMNHBNM-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2ccn(C)n2)C3)O1 ZINC000981842683 1186544639 /nfs/dbraw/zinc/54/46/39/1186544639.db2.gz HXOLAUVLMNHBNM-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2ccn(C)n2)C3)O1 ZINC000981842683 1186544640 /nfs/dbraw/zinc/54/46/40/1186544640.db2.gz HXOLAUVLMNHBNM-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H]1CCNC1=O)C2 ZINC000982021825 1186629244 /nfs/dbraw/zinc/62/92/44/1186629244.db2.gz KTEYZECTYCQJID-KFWWJZLASA-N 2 2 357.458 0.337 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCNC1=O)C2 ZINC000982021825 1186629246 /nfs/dbraw/zinc/62/92/46/1186629246.db2.gz KTEYZECTYCQJID-KFWWJZLASA-N 2 2 357.458 0.337 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713843 1186699096 /nfs/dbraw/zinc/69/90/96/1186699096.db2.gz VVFPMTUMNBOMSP-QILLFSRXSA-N 2 2 369.469 0.979 20 0 FCADLP CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332778162 1187537295 /nfs/dbraw/zinc/53/72/95/1187537295.db2.gz MVRFQWTXLUSXJA-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000332778162 1187537303 /nfs/dbraw/zinc/53/73/03/1187537303.db2.gz MVRFQWTXLUSXJA-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385388 1187712566 /nfs/dbraw/zinc/71/25/66/1187712566.db2.gz MQTHXIVVYXBWBQ-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385388 1187712569 /nfs/dbraw/zinc/71/25/69/1187712569.db2.gz MQTHXIVVYXBWBQ-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385388 1187712573 /nfs/dbraw/zinc/71/25/73/1187712573.db2.gz MQTHXIVVYXBWBQ-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385388 1187712576 /nfs/dbraw/zinc/71/25/76/1187712576.db2.gz MQTHXIVVYXBWBQ-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP CC(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385333 1187712943 /nfs/dbraw/zinc/71/29/43/1187712943.db2.gz LBPUQJWJVSVIOT-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385333 1187712946 /nfs/dbraw/zinc/71/29/46/1187712946.db2.gz LBPUQJWJVSVIOT-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385333 1187712951 /nfs/dbraw/zinc/71/29/51/1187712951.db2.gz LBPUQJWJVSVIOT-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385333 1187712953 /nfs/dbraw/zinc/71/29/53/1187712953.db2.gz LBPUQJWJVSVIOT-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607185 1187748328 /nfs/dbraw/zinc/74/83/28/1187748328.db2.gz LAYNNUWYZYWYAA-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607185 1187748333 /nfs/dbraw/zinc/74/83/33/1187748333.db2.gz LAYNNUWYZYWYAA-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607185 1187748338 /nfs/dbraw/zinc/74/83/38/1187748338.db2.gz LAYNNUWYZYWYAA-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607185 1187748343 /nfs/dbraw/zinc/74/83/43/1187748343.db2.gz LAYNNUWYZYWYAA-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629831 1187758481 /nfs/dbraw/zinc/75/84/81/1187758481.db2.gz TYCVUEXJGFQPPE-RVKKMQEKSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629831 1187758487 /nfs/dbraw/zinc/75/84/87/1187758487.db2.gz TYCVUEXJGFQPPE-RVKKMQEKSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629831 1187758491 /nfs/dbraw/zinc/75/84/91/1187758491.db2.gz TYCVUEXJGFQPPE-RVKKMQEKSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629831 1187758498 /nfs/dbraw/zinc/75/84/98/1187758498.db2.gz TYCVUEXJGFQPPE-RVKKMQEKSA-N 2 2 361.490 0.487 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000983018050 1187816377 /nfs/dbraw/zinc/81/63/77/1187816377.db2.gz IDYPAMBQSCMTCC-BHYGNILZSA-N 2 2 361.490 0.658 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000983018050 1187816378 /nfs/dbraw/zinc/81/63/78/1187816378.db2.gz IDYPAMBQSCMTCC-BHYGNILZSA-N 2 2 361.490 0.658 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(=O)NC2CC2)CCCC1 ZINC001482229737 1187855097 /nfs/dbraw/zinc/85/50/97/1187855097.db2.gz HEGODKJSIJRAQQ-HUUCEWRRSA-N 2 2 359.474 0.821 20 0 FCADLP C=CC(=O)N1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269851997 1187898293 /nfs/dbraw/zinc/89/82/93/1187898293.db2.gz SMAOTHVUMSUCJL-HZPDHXFCSA-N 2 2 359.474 0.701 20 0 FCADLP C/C=C/C(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269852916 1187899888 /nfs/dbraw/zinc/89/98/88/1187899888.db2.gz FZNMVZUBZWTSFJ-FZZYSBJUSA-N 2 2 359.474 0.749 20 0 FCADLP CC(=O)Nc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)CN(C)C(N)=[NH2+])cc1 ZINC001269992371 1187961594 /nfs/dbraw/zinc/96/15/94/1187961594.db2.gz INBUPFUVYIYOFK-IYBDPMFKSA-N 2 2 358.446 0.255 20 0 FCADLP CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)CN(C)C(N)=[NH2+])cc1 ZINC001269992371 1187961598 /nfs/dbraw/zinc/96/15/98/1187961598.db2.gz INBUPFUVYIYOFK-IYBDPMFKSA-N 2 2 358.446 0.255 20 0 FCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001270328176 1188095869 /nfs/dbraw/zinc/09/58/69/1188095869.db2.gz DCTOHRPCFZUOAJ-FVQBIDKESA-N 2 2 359.474 0.983 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1=O ZINC001270371003 1188124092 /nfs/dbraw/zinc/12/40/92/1188124092.db2.gz OIPPZAZHPPYSFX-HNAYVOBHSA-N 2 2 359.474 0.458 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488741 1188171279 /nfs/dbraw/zinc/17/12/79/1188171279.db2.gz DJHPKTFRYONEHI-QFBILLFUSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488741 1188171285 /nfs/dbraw/zinc/17/12/85/1188171285.db2.gz DJHPKTFRYONEHI-QFBILLFUSA-N 2 2 359.474 0.818 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)([NH+]2CCOCC2)C1 ZINC000894463946 1188220205 /nfs/dbraw/zinc/22/02/05/1188220205.db2.gz BMCDSGJYGNJQAU-FXQQTDPRSA-N 2 2 366.506 0.602 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)([NH+]2CCOCC2)C1 ZINC000894463946 1188220207 /nfs/dbraw/zinc/22/02/07/1188220207.db2.gz BMCDSGJYGNJQAU-FXQQTDPRSA-N 2 2 366.506 0.602 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001270668232 1188250173 /nfs/dbraw/zinc/25/01/73/1188250173.db2.gz USMRWVLAIYRQNU-QGZVFWFLSA-N 2 2 355.442 0.633 20 0 FCADLP Cc1noc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001029111872 1188293510 /nfs/dbraw/zinc/29/35/10/1188293510.db2.gz QGBXMZVIIQXFKY-XJKCOSOUSA-N 2 2 365.478 0.814 20 0 FCADLP Cc1noc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001029111872 1188293512 /nfs/dbraw/zinc/29/35/12/1188293512.db2.gz QGBXMZVIIQXFKY-XJKCOSOUSA-N 2 2 365.478 0.814 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2cnnn2C)CCCC1 ZINC001270791992 1188303849 /nfs/dbraw/zinc/30/38/49/1188303849.db2.gz VAAZTKWJKPZOJX-HUUCEWRRSA-N 2 2 357.462 0.871 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000729492218 1188343835 /nfs/dbraw/zinc/34/38/35/1188343835.db2.gz VXSYSEDULVKQHK-INIZCTEOSA-N 2 2 361.490 0.969 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001691513153 1188388038 /nfs/dbraw/zinc/38/80/38/1188388038.db2.gz FCBPQKWHCDMGST-DLBZAZTESA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001691513153 1188388041 /nfs/dbraw/zinc/38/80/41/1188388041.db2.gz FCBPQKWHCDMGST-DLBZAZTESA-N 2 2 361.490 0.943 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984016117 1189373232 /nfs/dbraw/zinc/37/32/32/1189373232.db2.gz RJBQHWKJCJURSE-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984016117 1189373239 /nfs/dbraw/zinc/37/32/39/1189373239.db2.gz RJBQHWKJCJURSE-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1nc(C)cc1C ZINC001087529521 1189384815 /nfs/dbraw/zinc/38/48/15/1189384815.db2.gz KAWQFVZYCBYOGM-RCCFBDPRSA-N 2 2 363.506 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1nc(C)cc1C ZINC001087529521 1189384821 /nfs/dbraw/zinc/38/48/21/1189384821.db2.gz KAWQFVZYCBYOGM-RCCFBDPRSA-N 2 2 363.506 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCn1nc(C)cc1C ZINC001087529521 1189384826 /nfs/dbraw/zinc/38/48/26/1189384826.db2.gz KAWQFVZYCBYOGM-RCCFBDPRSA-N 2 2 363.506 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1nc(C)cc1C ZINC001087529521 1189384831 /nfs/dbraw/zinc/38/48/31/1189384831.db2.gz KAWQFVZYCBYOGM-RCCFBDPRSA-N 2 2 363.506 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1nccnc1C ZINC001087622273 1189671526 /nfs/dbraw/zinc/67/15/26/1189671526.db2.gz CNNFIXRXJMMPKJ-AETAKHFUSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1nccnc1C ZINC001087622273 1189671532 /nfs/dbraw/zinc/67/15/32/1189671532.db2.gz CNNFIXRXJMMPKJ-AETAKHFUSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1nccnc1C ZINC001087622273 1189671535 /nfs/dbraw/zinc/67/15/35/1189671535.db2.gz CNNFIXRXJMMPKJ-AETAKHFUSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1nccnc1C ZINC001087622273 1189671537 /nfs/dbraw/zinc/67/15/37/1189671537.db2.gz CNNFIXRXJMMPKJ-AETAKHFUSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087700067 1189775682 /nfs/dbraw/zinc/77/56/82/1189775682.db2.gz ZVVMSMVXZAXYFD-ZQDZILKHSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087700067 1189775702 /nfs/dbraw/zinc/77/57/02/1189775702.db2.gz ZVVMSMVXZAXYFD-ZQDZILKHSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087700067 1189775724 /nfs/dbraw/zinc/77/57/24/1189775724.db2.gz ZVVMSMVXZAXYFD-ZQDZILKHSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087700067 1189775739 /nfs/dbraw/zinc/77/57/39/1189775739.db2.gz ZVVMSMVXZAXYFD-ZQDZILKHSA-N 2 2 364.494 0.308 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[N@@H+]1CC(=O)N(C)C ZINC001087725785 1189804521 /nfs/dbraw/zinc/80/45/21/1189804521.db2.gz DBGBZGMODRYFGP-BHYGNILZSA-N 2 2 361.490 0.811 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[N@H+]1CC(=O)N(C)C ZINC001087725785 1189804524 /nfs/dbraw/zinc/80/45/24/1189804524.db2.gz DBGBZGMODRYFGP-BHYGNILZSA-N 2 2 361.490 0.811 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001087797478 1189827869 /nfs/dbraw/zinc/82/78/69/1189827869.db2.gz QRCJGIHKICTUBG-YESZJQIVSA-N 2 2 360.462 0.189 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001087797478 1189827870 /nfs/dbraw/zinc/82/78/70/1189827870.db2.gz QRCJGIHKICTUBG-YESZJQIVSA-N 2 2 360.462 0.189 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cc(C)ncn1 ZINC001087836716 1189845065 /nfs/dbraw/zinc/84/50/65/1189845065.db2.gz FRYBFAUKWHIWCZ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cc(C)ncn1 ZINC001087836716 1189845066 /nfs/dbraw/zinc/84/50/66/1189845066.db2.gz FRYBFAUKWHIWCZ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cc(C)ncn1 ZINC001087836716 1189845068 /nfs/dbraw/zinc/84/50/68/1189845068.db2.gz FRYBFAUKWHIWCZ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cc(C)ncn1 ZINC001087836716 1189845070 /nfs/dbraw/zinc/84/50/70/1189845070.db2.gz FRYBFAUKWHIWCZ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1nccnc1C ZINC001087837223 1189845648 /nfs/dbraw/zinc/84/56/48/1189845648.db2.gz ZQBSYYLCJJKFRV-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1nccnc1C ZINC001087837223 1189845649 /nfs/dbraw/zinc/84/56/49/1189845649.db2.gz ZQBSYYLCJJKFRV-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1nccnc1C ZINC001087837223 1189845650 /nfs/dbraw/zinc/84/56/50/1189845650.db2.gz ZQBSYYLCJJKFRV-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1nccnc1C ZINC001087837223 1189845654 /nfs/dbraw/zinc/84/56/54/1189845654.db2.gz ZQBSYYLCJJKFRV-CGTJXYLNSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920193 1189903395 /nfs/dbraw/zinc/90/33/95/1189903395.db2.gz HMZZHGBCIIWXOO-IKGGRYGDSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920193 1189903399 /nfs/dbraw/zinc/90/33/99/1189903399.db2.gz HMZZHGBCIIWXOO-IKGGRYGDSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920193 1189903402 /nfs/dbraw/zinc/90/34/02/1189903402.db2.gz HMZZHGBCIIWXOO-IKGGRYGDSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)oc1C ZINC001087920193 1189903405 /nfs/dbraw/zinc/90/34/05/1189903405.db2.gz HMZZHGBCIIWXOO-IKGGRYGDSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920688 1189908009 /nfs/dbraw/zinc/90/80/09/1189908009.db2.gz XRJZQPQAHORJNO-FGTMMUONSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920688 1189908011 /nfs/dbraw/zinc/90/80/11/1189908011.db2.gz XRJZQPQAHORJNO-FGTMMUONSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920688 1189908014 /nfs/dbraw/zinc/90/80/14/1189908014.db2.gz XRJZQPQAHORJNO-FGTMMUONSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920688 1189908015 /nfs/dbraw/zinc/90/80/15/1189908015.db2.gz XRJZQPQAHORJNO-FGTMMUONSA-N 2 2 359.474 0.396 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)n1 ZINC001087968045 1190024789 /nfs/dbraw/zinc/02/47/89/1190024789.db2.gz XYQLJLZEOGAPGM-RYRKJORJSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)n1 ZINC001087968045 1190024795 /nfs/dbraw/zinc/02/47/95/1190024795.db2.gz XYQLJLZEOGAPGM-RYRKJORJSA-N 2 2 358.490 0.437 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000984729318 1190096054 /nfs/dbraw/zinc/09/60/54/1190096054.db2.gz UQTRQITUZWOBMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000984729318 1190096058 /nfs/dbraw/zinc/09/60/58/1190096058.db2.gz UQTRQITUZWOBMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000984729318 1190096061 /nfs/dbraw/zinc/09/60/61/1190096061.db2.gz UQTRQITUZWOBMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000984729318 1190096066 /nfs/dbraw/zinc/09/60/66/1190096066.db2.gz UQTRQITUZWOBMP-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@@H]3C2)nn1 ZINC001087993624 1190144705 /nfs/dbraw/zinc/14/47/05/1190144705.db2.gz WDVWFPPHJDQTGI-RYRKJORJSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@@H]3C2)nn1 ZINC001087993624 1190144708 /nfs/dbraw/zinc/14/47/08/1190144708.db2.gz WDVWFPPHJDQTGI-RYRKJORJSA-N 2 2 360.506 0.919 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000984896673 1190219571 /nfs/dbraw/zinc/21/95/71/1190219571.db2.gz ZJUDGQRQGZBMQF-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000984896673 1190219580 /nfs/dbraw/zinc/21/95/80/1190219580.db2.gz ZJUDGQRQGZBMQF-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042559 1190301289 /nfs/dbraw/zinc/30/12/89/1190301289.db2.gz VWISJGAVRSHUJE-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042559 1190301292 /nfs/dbraw/zinc/30/12/92/1190301292.db2.gz VWISJGAVRSHUJE-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088050059 1190309429 /nfs/dbraw/zinc/30/94/29/1190309429.db2.gz NTVPJTPEPBQSFY-OWCLPIDISA-N 2 2 359.474 0.412 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088050059 1190309434 /nfs/dbraw/zinc/30/94/34/1190309434.db2.gz NTVPJTPEPBQSFY-OWCLPIDISA-N 2 2 359.474 0.412 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088063985 1190340575 /nfs/dbraw/zinc/34/05/75/1190340575.db2.gz GKJAAESNRVPEBV-CABCVRRESA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088063985 1190340583 /nfs/dbraw/zinc/34/05/83/1190340583.db2.gz GKJAAESNRVPEBV-CABCVRRESA-N 2 2 361.494 0.365 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088079062 1190445891 /nfs/dbraw/zinc/44/58/91/1190445891.db2.gz KXPYKTFYULEONZ-ZIFCJYIRSA-N 2 2 365.518 0.793 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088079062 1190445895 /nfs/dbraw/zinc/44/58/95/1190445895.db2.gz KXPYKTFYULEONZ-ZIFCJYIRSA-N 2 2 365.518 0.793 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088079062 1190445899 /nfs/dbraw/zinc/44/58/99/1190445899.db2.gz KXPYKTFYULEONZ-ZIFCJYIRSA-N 2 2 365.518 0.793 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088079062 1190445905 /nfs/dbraw/zinc/44/59/05/1190445905.db2.gz KXPYKTFYULEONZ-ZIFCJYIRSA-N 2 2 365.518 0.793 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1)[NH+](C)C ZINC001088109721 1190600898 /nfs/dbraw/zinc/60/08/98/1190600898.db2.gz UVMGAXJSSFIZQQ-PMPSAXMXSA-N 2 2 366.485 0.868 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1)[NH+](C)C ZINC001088109721 1190600902 /nfs/dbraw/zinc/60/09/02/1190600902.db2.gz UVMGAXJSSFIZQQ-PMPSAXMXSA-N 2 2 366.485 0.868 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3ncnn3C)C2)O1 ZINC001088334864 1190750931 /nfs/dbraw/zinc/75/09/31/1190750931.db2.gz QYNNPTHWVKRGIB-OWCLPIDISA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3ncnn3C)C2)O1 ZINC001088334864 1190750933 /nfs/dbraw/zinc/75/09/33/1190750933.db2.gz QYNNPTHWVKRGIB-OWCLPIDISA-N 2 2 364.494 0.395 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC000986155925 1190908653 /nfs/dbraw/zinc/90/86/53/1190908653.db2.gz AGZDZCJKMOXADO-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1)C1CC1 ZINC000986262506 1190938428 /nfs/dbraw/zinc/93/84/28/1190938428.db2.gz UWIMCEGYMCSGFQ-VKJFTORMSA-N 2 2 359.474 0.599 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1)[NH+](C)C ZINC000986278970 1190943263 /nfs/dbraw/zinc/94/32/63/1190943263.db2.gz GMJVTLSTVIRYLE-VYDXJSESSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986335873 1190951303 /nfs/dbraw/zinc/95/13/03/1190951303.db2.gz DRKYCQJCLOPIGF-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986335873 1190951307 /nfs/dbraw/zinc/95/13/07/1190951307.db2.gz DRKYCQJCLOPIGF-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1)[NH+](C)C ZINC000986327755 1190956353 /nfs/dbraw/zinc/95/63/53/1190956353.db2.gz KQNVKLKLVTZVKZ-IXDOHACOSA-N 2 2 361.490 0.920 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000986403904 1190974532 /nfs/dbraw/zinc/97/45/32/1190974532.db2.gz QUVHTHPPVVVQPX-CVEARBPZSA-N 2 2 370.457 0.475 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000986418999 1190984217 /nfs/dbraw/zinc/98/42/17/1190984217.db2.gz QWQHXQZWXAXIPB-CVEARBPZSA-N 2 2 370.457 0.475 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986418825 1190984380 /nfs/dbraw/zinc/98/43/80/1190984380.db2.gz PAQOKMOUSSXZIZ-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986418825 1190984383 /nfs/dbraw/zinc/98/43/83/1190984383.db2.gz PAQOKMOUSSXZIZ-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1)[NH+](C)C ZINC000986424857 1190986462 /nfs/dbraw/zinc/98/64/62/1190986462.db2.gz KQNVKLKLVTZVKZ-IKGGRYGDSA-N 2 2 361.490 0.920 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCCC3)CC2)CC1 ZINC001276761364 1224127437 /nfs/dbraw/zinc/12/74/37/1224127437.db2.gz DUTNYZTZUBCFCR-QGZVFWFLSA-N 2 2 362.518 0.921 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC000988199019 1191161641 /nfs/dbraw/zinc/16/16/41/1191161641.db2.gz VCMIYNCOCIWHNS-KBMXLJTQSA-N 2 2 359.474 0.708 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001217954277 1224133214 /nfs/dbraw/zinc/13/32/14/1224133214.db2.gz NRJHQYWEWJBDBN-DLBZAZTESA-N 2 2 362.474 0.710 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001217954277 1224133216 /nfs/dbraw/zinc/13/32/16/1224133216.db2.gz NRJHQYWEWJBDBN-DLBZAZTESA-N 2 2 362.474 0.710 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21 ZINC001218049185 1224136834 /nfs/dbraw/zinc/13/68/34/1224136834.db2.gz QBLPUVVBYCGMFZ-IXDOHACOSA-N 2 2 367.469 0.512 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC001218195170 1224146759 /nfs/dbraw/zinc/14/67/59/1224146759.db2.gz FYMLRDDPAFWXRC-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC001218195170 1224146761 /nfs/dbraw/zinc/14/67/61/1224146761.db2.gz FYMLRDDPAFWXRC-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001218307099 1224153559 /nfs/dbraw/zinc/15/35/59/1224153559.db2.gz WNFWYVKHENKZEP-ZWKOTPCHSA-N 2 2 362.474 0.710 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001218307099 1224153561 /nfs/dbraw/zinc/15/35/61/1224153561.db2.gz WNFWYVKHENKZEP-ZWKOTPCHSA-N 2 2 362.474 0.710 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550687237 1193734555 /nfs/dbraw/zinc/73/45/55/1193734555.db2.gz UESDUATXIQWLLV-ZACQAIPSSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550687237 1193734556 /nfs/dbraw/zinc/73/45/56/1193734556.db2.gz UESDUATXIQWLLV-ZACQAIPSSA-N 2 2 368.522 0.545 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083465426 1193762448 /nfs/dbraw/zinc/76/24/48/1193762448.db2.gz DVYMZYALGXEZRF-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)n1 ZINC001083465426 1193762450 /nfs/dbraw/zinc/76/24/50/1193762450.db2.gz DVYMZYALGXEZRF-BBWFWOEESA-N 2 2 360.458 0.093 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000550962836 1193822554 /nfs/dbraw/zinc/82/25/54/1193822554.db2.gz XNGXATGSLSLLDT-INIZCTEOSA-N 2 2 361.490 0.677 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000550962836 1193822556 /nfs/dbraw/zinc/82/25/56/1193822556.db2.gz XNGXATGSLSLLDT-INIZCTEOSA-N 2 2 361.490 0.677 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000551047226 1193829657 /nfs/dbraw/zinc/82/96/57/1193829657.db2.gz ZOSIWPIYLPBXIP-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000551047226 1193829659 /nfs/dbraw/zinc/82/96/59/1193829659.db2.gz ZOSIWPIYLPBXIP-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551140850 1193836609 /nfs/dbraw/zinc/83/66/09/1193836609.db2.gz XCVLFLYVXYDVPL-JKSUJKDBSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551140850 1193836612 /nfs/dbraw/zinc/83/66/12/1193836612.db2.gz XCVLFLYVXYDVPL-JKSUJKDBSA-N 2 2 359.474 0.621 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000551189397 1193839263 /nfs/dbraw/zinc/83/92/63/1193839263.db2.gz WQPPZBZXQQFQQM-UHFFFAOYSA-N 2 2 373.501 0.681 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)C1=O ZINC001075949935 1193840935 /nfs/dbraw/zinc/84/09/35/1193840935.db2.gz BORWFIYULPBGPE-AFAVFJNCSA-N 2 2 353.426 0.940 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)C1=O ZINC001075949935 1193840936 /nfs/dbraw/zinc/84/09/36/1193840936.db2.gz BORWFIYULPBGPE-AFAVFJNCSA-N 2 2 353.426 0.940 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C(C)(C)C[NH+](C)C ZINC000551334794 1193850585 /nfs/dbraw/zinc/85/05/85/1193850585.db2.gz ZVSSBFSWJGXXEL-AWEZNQCLSA-N 2 2 363.506 0.971 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000551331206 1193850818 /nfs/dbraw/zinc/85/08/18/1193850818.db2.gz JIKVSVAAHVKSJN-OAHLLOKOSA-N 2 2 361.490 0.726 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000551331206 1193850821 /nfs/dbraw/zinc/85/08/21/1193850821.db2.gz JIKVSVAAHVKSJN-OAHLLOKOSA-N 2 2 361.490 0.726 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCCC1 ZINC000551483165 1193860079 /nfs/dbraw/zinc/86/00/79/1193860079.db2.gz WGLWRKVGWRAUNW-OAHLLOKOSA-N 2 2 361.490 0.726 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000551657551 1193866791 /nfs/dbraw/zinc/86/67/91/1193866791.db2.gz IFJMDHQAYIWWPS-BBWFWOEESA-N 2 2 368.522 0.593 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001075961683 1193883666 /nfs/dbraw/zinc/88/36/66/1193883666.db2.gz TWDAYWVOQPSHJK-RVKKMQEKSA-N 2 2 371.485 0.599 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001075961683 1193883668 /nfs/dbraw/zinc/88/36/68/1193883668.db2.gz TWDAYWVOQPSHJK-RVKKMQEKSA-N 2 2 371.485 0.599 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075965819 1193885034 /nfs/dbraw/zinc/88/50/34/1193885034.db2.gz FDOMDTMRAGMCLB-SOLBZPMBSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075965819 1193885035 /nfs/dbraw/zinc/88/50/35/1193885035.db2.gz FDOMDTMRAGMCLB-SOLBZPMBSA-N 2 2 368.485 0.954 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001075968589 1193886420 /nfs/dbraw/zinc/88/64/20/1193886420.db2.gz IHVHNOHXMHFFER-XYJFISCASA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075968589 1193886421 /nfs/dbraw/zinc/88/64/21/1193886421.db2.gz IHVHNOHXMHFFER-XYJFISCASA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075967918 1193886528 /nfs/dbraw/zinc/88/65/28/1193886528.db2.gz XAYMZCPQOBPKQO-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075967918 1193886529 /nfs/dbraw/zinc/88/65/29/1193886529.db2.gz XAYMZCPQOBPKQO-YESZJQIVSA-N 2 2 371.485 0.601 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2C[N@@H+](CC(C)C)C[C@@H]21 ZINC001218575457 1224175073 /nfs/dbraw/zinc/17/50/73/1224175073.db2.gz HUXBOVLPCAAKKD-YESZJQIVSA-N 2 2 363.462 0.025 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2C[N@H+](CC(C)C)C[C@@H]21 ZINC001218575457 1224175077 /nfs/dbraw/zinc/17/50/77/1224175077.db2.gz HUXBOVLPCAAKKD-YESZJQIVSA-N 2 2 363.462 0.025 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[N@@H+](CC(C)C)C[C@@H]21 ZINC001218575457 1224175082 /nfs/dbraw/zinc/17/50/82/1224175082.db2.gz HUXBOVLPCAAKKD-YESZJQIVSA-N 2 2 363.462 0.025 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[N@H+](CC(C)C)C[C@@H]21 ZINC001218575457 1224175084 /nfs/dbraw/zinc/17/50/84/1224175084.db2.gz HUXBOVLPCAAKKD-YESZJQIVSA-N 2 2 363.462 0.025 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC[N@@H+]1C ZINC001083473187 1193902983 /nfs/dbraw/zinc/90/29/83/1193902983.db2.gz MRKXGTIUWLANCV-QVDUIBETSA-N 2 2 365.449 0.320 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC[N@H+]1C ZINC001083473187 1193902989 /nfs/dbraw/zinc/90/29/89/1193902989.db2.gz MRKXGTIUWLANCV-QVDUIBETSA-N 2 2 365.449 0.320 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC[NH+]1C ZINC001083473187 1193902993 /nfs/dbraw/zinc/90/29/93/1193902993.db2.gz MRKXGTIUWLANCV-QVDUIBETSA-N 2 2 365.449 0.320 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]2O)CC[NH+]1C ZINC001083473187 1193903001 /nfs/dbraw/zinc/90/30/01/1193903001.db2.gz MRKXGTIUWLANCV-QVDUIBETSA-N 2 2 365.449 0.320 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474532 1193908434 /nfs/dbraw/zinc/90/84/34/1193908434.db2.gz MUQMSDJKDBRDFB-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474532 1193908438 /nfs/dbraw/zinc/90/84/38/1193908438.db2.gz MUQMSDJKDBRDFB-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474532 1193908440 /nfs/dbraw/zinc/90/84/40/1193908440.db2.gz MUQMSDJKDBRDFB-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474532 1193908445 /nfs/dbraw/zinc/90/84/45/1193908445.db2.gz MUQMSDJKDBRDFB-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575825 1224176899 /nfs/dbraw/zinc/17/68/99/1224176899.db2.gz RGDBBOWZIWWLSO-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575825 1224176901 /nfs/dbraw/zinc/17/69/01/1224176901.db2.gz RGDBBOWZIWWLSO-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083478174 1193925564 /nfs/dbraw/zinc/92/55/64/1193925564.db2.gz YMJQDGCBHZQIAZ-UAGQMJEPSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001083478174 1193925566 /nfs/dbraw/zinc/92/55/66/1193925566.db2.gz YMJQDGCBHZQIAZ-UAGQMJEPSA-N 2 2 362.474 0.350 20 0 FCADLP Cn1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000552521136 1193936890 /nfs/dbraw/zinc/93/68/90/1193936890.db2.gz UJTFKNFZOXJNMH-UHFFFAOYSA-N 2 2 361.490 0.316 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994812 1193950087 /nfs/dbraw/zinc/95/00/87/1193950087.db2.gz JPOYAWDDCHOWHV-JLJPHGGASA-N 2 2 355.442 0.957 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994812 1193950089 /nfs/dbraw/zinc/95/00/89/1193950089.db2.gz JPOYAWDDCHOWHV-JLJPHGGASA-N 2 2 355.442 0.957 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630222 1224185587 /nfs/dbraw/zinc/18/55/87/1224185587.db2.gz HHBVXRNDKYHCAN-RYQLBKOJSA-N 2 2 362.474 0.702 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001218630222 1224185593 /nfs/dbraw/zinc/18/55/93/1224185593.db2.gz HHBVXRNDKYHCAN-RYQLBKOJSA-N 2 2 362.474 0.702 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524335 1194157815 /nfs/dbraw/zinc/15/78/15/1194157815.db2.gz QKWWWSHOUSMXLM-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524335 1194157819 /nfs/dbraw/zinc/15/78/19/1194157819.db2.gz QKWWWSHOUSMXLM-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524335 1194157822 /nfs/dbraw/zinc/15/78/22/1194157822.db2.gz QKWWWSHOUSMXLM-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524335 1194157827 /nfs/dbraw/zinc/15/78/27/1194157827.db2.gz QKWWWSHOUSMXLM-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001218695755 1224197841 /nfs/dbraw/zinc/19/78/41/1224197841.db2.gz HJPJJYCQMRYLMN-WFASDCNBSA-N 2 2 361.446 0.290 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(CC(=O)OC)nn3)CC2)CC1 ZINC000899869742 1194215931 /nfs/dbraw/zinc/21/59/31/1194215931.db2.gz KJRFOBKESIZBNI-UHFFFAOYSA-N 2 2 364.494 0.443 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn(CC(=O)OC)nn3)CC2)CC1 ZINC000899869742 1194215935 /nfs/dbraw/zinc/21/59/35/1194215935.db2.gz KJRFOBKESIZBNI-UHFFFAOYSA-N 2 2 364.494 0.443 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000899970691 1194229863 /nfs/dbraw/zinc/22/98/63/1194229863.db2.gz WYTGOWJDODQWJQ-SJORKVTESA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000899970691 1194229869 /nfs/dbraw/zinc/22/98/69/1194229869.db2.gz WYTGOWJDODQWJQ-SJORKVTESA-N 2 2 367.490 0.585 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029372 1194254310 /nfs/dbraw/zinc/25/43/10/1194254310.db2.gz JWMMZSPALKIBKZ-JKIFEVAISA-N 2 2 368.441 0.548 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029372 1194254318 /nfs/dbraw/zinc/25/43/18/1194254318.db2.gz JWMMZSPALKIBKZ-JKIFEVAISA-N 2 2 368.441 0.548 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)cn1 ZINC001076077821 1194290448 /nfs/dbraw/zinc/29/04/48/1194290448.db2.gz BGHKRQYQQZGENL-DLBZAZTESA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)cn1 ZINC001076077821 1194290449 /nfs/dbraw/zinc/29/04/49/1194290449.db2.gz BGHKRQYQQZGENL-DLBZAZTESA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076078266 1194291705 /nfs/dbraw/zinc/29/17/05/1194291705.db2.gz VBUISFQGAZTVHO-HRCADAONSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076078266 1194291710 /nfs/dbraw/zinc/29/17/10/1194291710.db2.gz VBUISFQGAZTVHO-HRCADAONSA-N 2 2 359.474 0.506 20 0 FCADLP CCOCCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794216 1224206850 /nfs/dbraw/zinc/20/68/50/1224206850.db2.gz DZBNKCZKHZBZLS-APWZRJJASA-N 2 2 371.522 0.323 20 0 FCADLP CCOCCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794216 1224206860 /nfs/dbraw/zinc/20/68/60/1224206860.db2.gz DZBNKCZKHZBZLS-APWZRJJASA-N 2 2 371.522 0.323 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076106649 1194308543 /nfs/dbraw/zinc/30/85/43/1194308543.db2.gz AQYWGKHARDABNM-YESZJQIVSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076106649 1194308549 /nfs/dbraw/zinc/30/85/49/1194308549.db2.gz AQYWGKHARDABNM-YESZJQIVSA-N 2 2 359.474 0.815 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076107471 1194308918 /nfs/dbraw/zinc/30/89/18/1194308918.db2.gz XZGDWVKGFRKTNG-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001076107471 1194308920 /nfs/dbraw/zinc/30/89/20/1194308920.db2.gz XZGDWVKGFRKTNG-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107337 1194308990 /nfs/dbraw/zinc/30/89/90/1194308990.db2.gz QSLUVACZLTVUSJ-IXDOHACOSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076107337 1194308992 /nfs/dbraw/zinc/30/89/92/1194308992.db2.gz QSLUVACZLTVUSJ-IXDOHACOSA-N 2 2 359.474 0.722 20 0 FCADLP CC(C)OC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794099 1224207712 /nfs/dbraw/zinc/20/77/12/1224207712.db2.gz AGFVKNNPMUGKRN-BZUAXINKSA-N 2 2 369.506 0.752 20 0 FCADLP CC(C)OC(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794099 1224207716 /nfs/dbraw/zinc/20/77/16/1224207716.db2.gz AGFVKNNPMUGKRN-BZUAXINKSA-N 2 2 369.506 0.752 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076228703 1194360550 /nfs/dbraw/zinc/36/05/50/1194360550.db2.gz HOHRMZBTBMFSHA-YQQAZPJKSA-N 2 2 371.485 0.985 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076228703 1194360553 /nfs/dbraw/zinc/36/05/53/1194360553.db2.gz HOHRMZBTBMFSHA-YQQAZPJKSA-N 2 2 371.485 0.985 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242423 1194369899 /nfs/dbraw/zinc/36/98/99/1194369899.db2.gz DBXIAWVHXOKDBI-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242423 1194369903 /nfs/dbraw/zinc/36/99/03/1194369903.db2.gz DBXIAWVHXOKDBI-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242423 1194369907 /nfs/dbraw/zinc/36/99/07/1194369907.db2.gz DBXIAWVHXOKDBI-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001076242423 1194369911 /nfs/dbraw/zinc/36/99/11/1194369911.db2.gz DBXIAWVHXOKDBI-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001076261745 1194379543 /nfs/dbraw/zinc/37/95/43/1194379543.db2.gz YBAZIIHBENIOJE-BVIKNXMNSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001076261745 1194379548 /nfs/dbraw/zinc/37/95/48/1194379548.db2.gz YBAZIIHBENIOJE-BVIKNXMNSA-N 2 2 371.485 0.679 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076311103 1194392693 /nfs/dbraw/zinc/39/26/93/1194392693.db2.gz ONJRTRACPPKZET-JKSUJKDBSA-N 2 2 359.474 0.772 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001076311103 1194392697 /nfs/dbraw/zinc/39/26/97/1194392697.db2.gz ONJRTRACPPKZET-JKSUJKDBSA-N 2 2 359.474 0.772 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cnn(CC[NH+](C)C)c4)[C@@H]3C2)n1 ZINC001076344826 1194407041 /nfs/dbraw/zinc/40/70/41/1194407041.db2.gz ARWPRDNPRBQQRY-MAUKXSAKSA-N 2 2 371.489 0.525 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cnn(CC[NH+](C)C)c4)[C@@H]3C2)n1 ZINC001076344826 1194407044 /nfs/dbraw/zinc/40/70/44/1194407044.db2.gz ARWPRDNPRBQQRY-MAUKXSAKSA-N 2 2 371.489 0.525 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406302 1194452568 /nfs/dbraw/zinc/45/25/68/1194452568.db2.gz CJGVJPVOULEKKK-DVOMOZLQSA-N 2 2 354.414 0.287 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406302 1194452574 /nfs/dbraw/zinc/45/25/74/1194452574.db2.gz CJGVJPVOULEKKK-DVOMOZLQSA-N 2 2 354.414 0.287 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076417748 1194465742 /nfs/dbraw/zinc/46/57/42/1194465742.db2.gz SBAHFFARCFBELU-RYQLBKOJSA-N 2 2 365.437 0.907 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076417748 1194465756 /nfs/dbraw/zinc/46/57/56/1194465756.db2.gz SBAHFFARCFBELU-RYQLBKOJSA-N 2 2 365.437 0.907 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076452742 1194489676 /nfs/dbraw/zinc/48/96/76/1194489676.db2.gz FIZUSUNIXZVULB-IAOVAPTHSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076452742 1194489680 /nfs/dbraw/zinc/48/96/80/1194489680.db2.gz FIZUSUNIXZVULB-IAOVAPTHSA-N 2 2 366.425 0.302 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001076572709 1194570491 /nfs/dbraw/zinc/57/04/91/1194570491.db2.gz FVDGQSJEVQXNCF-WMLDXEAASA-N 2 2 371.441 0.985 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001076572709 1194570502 /nfs/dbraw/zinc/57/05/02/1194570502.db2.gz FVDGQSJEVQXNCF-WMLDXEAASA-N 2 2 371.441 0.985 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576500 1194582423 /nfs/dbraw/zinc/58/24/23/1194582423.db2.gz OCKDMSMZEIHBCX-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576500 1194582431 /nfs/dbraw/zinc/58/24/31/1194582431.db2.gz OCKDMSMZEIHBCX-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218803510 1224226365 /nfs/dbraw/zinc/22/63/65/1224226365.db2.gz LDVOBZGLVZWSPH-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001076633282 1194606492 /nfs/dbraw/zinc/60/64/92/1194606492.db2.gz HCUDTDGVDNSKDH-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001076633282 1194606497 /nfs/dbraw/zinc/60/64/97/1194606497.db2.gz HCUDTDGVDNSKDH-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834602 1195043600 /nfs/dbraw/zinc/04/36/00/1195043600.db2.gz YIAAOOISKNAPDA-GUDVDZBRSA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834602 1195043604 /nfs/dbraw/zinc/04/36/04/1195043604.db2.gz YIAAOOISKNAPDA-GUDVDZBRSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834602 1195043610 /nfs/dbraw/zinc/04/36/10/1195043610.db2.gz YIAAOOISKNAPDA-GUDVDZBRSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834602 1195043615 /nfs/dbraw/zinc/04/36/15/1195043615.db2.gz YIAAOOISKNAPDA-GUDVDZBRSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001218925952 1224261145 /nfs/dbraw/zinc/26/11/45/1224261145.db2.gz XIEAXAFMGZQUOJ-LBPRGKRZSA-N 2 2 371.401 0.629 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]3O)ccn12 ZINC001076996676 1195135102 /nfs/dbraw/zinc/13/51/02/1195135102.db2.gz JDDMRHJXNYJNGF-USXIJHARSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@H]3O)ccn12 ZINC001076996676 1195135107 /nfs/dbraw/zinc/13/51/07/1195135107.db2.gz JDDMRHJXNYJNGF-USXIJHARSA-N 2 2 358.442 0.844 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001077002881 1195138407 /nfs/dbraw/zinc/13/84/07/1195138407.db2.gz KPBHHAZWPUVQTO-ARFHVFGLSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001077002881 1195138416 /nfs/dbraw/zinc/13/84/16/1195138416.db2.gz KPBHHAZWPUVQTO-ARFHVFGLSA-N 2 2 362.474 0.549 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077033537 1195167357 /nfs/dbraw/zinc/16/73/57/1195167357.db2.gz YMJQDGCBHZQIAZ-USXIJHARSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001077033537 1195167364 /nfs/dbraw/zinc/16/73/64/1195167364.db2.gz YMJQDGCBHZQIAZ-USXIJHARSA-N 2 2 362.474 0.350 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CCC1 ZINC001083563360 1195221594 /nfs/dbraw/zinc/22/15/94/1195221594.db2.gz LKVVZVWXZFKIIL-IXDOHACOSA-N 2 2 364.490 0.903 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CCC1 ZINC001083563360 1195221598 /nfs/dbraw/zinc/22/15/98/1195221598.db2.gz LKVVZVWXZFKIIL-IXDOHACOSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077130539 1195246233 /nfs/dbraw/zinc/24/62/33/1195246233.db2.gz CPLKYVQXKDGSTD-BRWVUGGUSA-N 2 2 355.442 0.825 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001077130539 1195246239 /nfs/dbraw/zinc/24/62/39/1195246239.db2.gz CPLKYVQXKDGSTD-BRWVUGGUSA-N 2 2 355.442 0.825 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)ncn1 ZINC001077132161 1195249112 /nfs/dbraw/zinc/24/91/12/1195249112.db2.gz QKWWWSHOUSMXLM-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)ncn1 ZINC001077132161 1195249116 /nfs/dbraw/zinc/24/91/16/1195249116.db2.gz QKWWWSHOUSMXLM-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)ncn1 ZINC001077132161 1195249123 /nfs/dbraw/zinc/24/91/23/1195249123.db2.gz QKWWWSHOUSMXLM-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)ncn1 ZINC001077132161 1195249130 /nfs/dbraw/zinc/24/91/30/1195249130.db2.gz QKWWWSHOUSMXLM-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)NC(=O)CCc1c[nH+]cn1C ZINC001077147846 1195269077 /nfs/dbraw/zinc/26/90/77/1195269077.db2.gz KNWOGDMVNSHIBL-SQWLQELKSA-N 2 2 365.478 0.083 20 0 FCADLP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)NC(=O)CCc1c[nH+]cn1C ZINC001077147846 1195269084 /nfs/dbraw/zinc/26/90/84/1195269084.db2.gz KNWOGDMVNSHIBL-SQWLQELKSA-N 2 2 365.478 0.083 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077218040 1195327938 /nfs/dbraw/zinc/32/79/38/1195327938.db2.gz OFSSOMIIZQNLGU-BRWVUGGUSA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077218040 1195327943 /nfs/dbraw/zinc/32/79/43/1195327943.db2.gz OFSSOMIIZQNLGU-BRWVUGGUSA-N 2 2 364.490 0.905 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965236 1224273823 /nfs/dbraw/zinc/27/38/23/1224273823.db2.gz ICJQEKQQNBPLMK-HRCADAONSA-N 2 2 364.490 0.038 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965236 1224273828 /nfs/dbraw/zinc/27/38/28/1224273828.db2.gz ICJQEKQQNBPLMK-HRCADAONSA-N 2 2 364.490 0.038 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001077237764 1195340105 /nfs/dbraw/zinc/34/01/05/1195340105.db2.gz RAILWBISXDBPQT-GUDVDZBRSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001077237764 1195340112 /nfs/dbraw/zinc/34/01/12/1195340112.db2.gz RAILWBISXDBPQT-GUDVDZBRSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001077237764 1195340116 /nfs/dbraw/zinc/34/01/16/1195340116.db2.gz RAILWBISXDBPQT-GUDVDZBRSA-N 2 2 360.502 0.898 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971203 1224275163 /nfs/dbraw/zinc/27/51/63/1224275163.db2.gz UAJIZYPUYMGNBT-DLBZAZTESA-N 2 2 366.462 0.227 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971203 1224275166 /nfs/dbraw/zinc/27/51/66/1224275166.db2.gz UAJIZYPUYMGNBT-DLBZAZTESA-N 2 2 366.462 0.227 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cc1=O ZINC001083570233 1195359162 /nfs/dbraw/zinc/35/91/62/1195359162.db2.gz MXWQMFSIGCTNOE-SJORKVTESA-N 2 2 367.409 0.237 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cc1=O ZINC001083570233 1195359168 /nfs/dbraw/zinc/35/91/68/1195359168.db2.gz MXWQMFSIGCTNOE-SJORKVTESA-N 2 2 367.409 0.237 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077259619 1195363880 /nfs/dbraw/zinc/36/38/80/1195363880.db2.gz XMLLMXGVOIZRCW-RCCFBDPRSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077259619 1195363885 /nfs/dbraw/zinc/36/38/85/1195363885.db2.gz XMLLMXGVOIZRCW-RCCFBDPRSA-N 2 2 354.454 0.850 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001083570773 1195376579 /nfs/dbraw/zinc/37/65/79/1195376579.db2.gz OCFKLHQCGQDGJF-MSOLQXFVSA-N 2 2 368.441 0.851 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001083570773 1195376584 /nfs/dbraw/zinc/37/65/84/1195376584.db2.gz OCFKLHQCGQDGJF-MSOLQXFVSA-N 2 2 368.441 0.851 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1=O ZINC001077276338 1195378273 /nfs/dbraw/zinc/37/82/73/1195378273.db2.gz XZLPFVUKSMQSHR-BRWVUGGUSA-N 2 2 371.441 0.038 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1=O ZINC001077276338 1195378278 /nfs/dbraw/zinc/37/82/78/1195378278.db2.gz XZLPFVUKSMQSHR-BRWVUGGUSA-N 2 2 371.441 0.038 20 0 FCADLP COC(=O)c1c2[nH]ncc2ccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218987847 1224278819 /nfs/dbraw/zinc/27/88/19/1224278819.db2.gz NROAUMVJRWZVOZ-GFCCVEGCSA-N 2 2 360.418 0.038 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366350 1195466096 /nfs/dbraw/zinc/46/60/96/1195466096.db2.gz CYLAMCZKHDGOSN-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366350 1195466106 /nfs/dbraw/zinc/46/61/06/1195466106.db2.gz CYLAMCZKHDGOSN-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C[C@@]1(O)CCOC1 ZINC000905233051 1195578354 /nfs/dbraw/zinc/57/83/54/1195578354.db2.gz PYPQEWMVKZEGLT-ZCNNSNEGSA-N 2 2 364.486 0.770 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@@]1(O)CCOC1 ZINC000905233051 1195578361 /nfs/dbraw/zinc/57/83/61/1195578361.db2.gz PYPQEWMVKZEGLT-ZCNNSNEGSA-N 2 2 364.486 0.770 20 0 FCADLP COc1cc(OC)nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000906464440 1195631868 /nfs/dbraw/zinc/63/18/68/1195631868.db2.gz DBOJGJIZAXDEHL-UHFFFAOYSA-N 2 2 363.462 0.782 20 0 FCADLP NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371002 1195710181 /nfs/dbraw/zinc/71/01/81/1195710181.db2.gz JVDJIWNGYWHGMY-SFHVURJKSA-N 2 2 358.486 0.663 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000910999614 1195876536 /nfs/dbraw/zinc/87/65/36/1195876536.db2.gz NBYCHKWOQCDMJF-INIZCTEOSA-N 2 2 374.485 0.332 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)[nH+]c12 ZINC000911080366 1195884056 /nfs/dbraw/zinc/88/40/56/1195884056.db2.gz QQWUNHSJFYVOAT-LSDHHAIUSA-N 2 2 355.442 0.369 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668658 1196390849 /nfs/dbraw/zinc/39/08/49/1196390849.db2.gz ZYXIYERHPCQULE-SQNIBIBYSA-N 2 2 362.474 0.827 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668658 1196390851 /nfs/dbraw/zinc/39/08/51/1196390851.db2.gz ZYXIYERHPCQULE-SQNIBIBYSA-N 2 2 362.474 0.827 20 0 FCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203947 1196546840 /nfs/dbraw/zinc/54/68/40/1196546840.db2.gz HZMCODZTASGEOF-IKGGRYGDSA-N 2 2 363.458 0.261 20 0 FCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203947 1196546843 /nfs/dbraw/zinc/54/68/43/1196546843.db2.gz HZMCODZTASGEOF-IKGGRYGDSA-N 2 2 363.458 0.261 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000592963295 1196597374 /nfs/dbraw/zinc/59/73/74/1196597374.db2.gz JXUPUXNZKAOIDD-IRXDYDNUSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000592963295 1196597377 /nfs/dbraw/zinc/59/73/77/1196597377.db2.gz JXUPUXNZKAOIDD-IRXDYDNUSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)C1CN(c2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)cc2)C1 ZINC001219127070 1224363166 /nfs/dbraw/zinc/36/31/66/1224363166.db2.gz WWQPBDVNTYNYRA-INIZCTEOSA-N 2 2 357.414 0.538 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)n1 ZINC001106064574 1196821448 /nfs/dbraw/zinc/82/14/48/1196821448.db2.gz DFWFDRHMAIBZGA-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[N@@H+]1CCn1cncn1 ZINC001088976420 1196853344 /nfs/dbraw/zinc/85/33/44/1196853344.db2.gz XIHCJVGLZKIOJL-ZBFHGGJFSA-N 2 2 366.429 0.752 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC[N@H+]1CCn1cncn1 ZINC001088976420 1196853345 /nfs/dbraw/zinc/85/33/45/1196853345.db2.gz XIHCJVGLZKIOJL-ZBFHGGJFSA-N 2 2 366.429 0.752 20 0 FCADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)ccc1N1CCOCC1 ZINC001219167686 1224373131 /nfs/dbraw/zinc/37/31/31/1224373131.db2.gz GPLYDVWHHZDXRA-HNNXBMFYSA-N 2 2 359.430 0.774 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000992057656 1196926031 /nfs/dbraw/zinc/92/60/31/1196926031.db2.gz RRCLDSLHGXMNOM-NVXWUHKLSA-N 2 2 371.485 0.577 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(CN3CC[NH2+]CC3)cc(C(F)(F)F)c2)C1 ZINC001219193691 1224382613 /nfs/dbraw/zinc/38/26/13/1224382613.db2.gz JCIMTSMRTDMYHC-HIFRSBDPSA-N 3 2 371.407 0.738 20 0 FCADLP COC(=O)c1cnc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000541861146 1197068874 /nfs/dbraw/zinc/06/88/74/1197068874.db2.gz OLAKNUCUPYATNI-UHFFFAOYSA-N 2 2 356.386 0.662 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3c[nH+]cn31)CC2 ZINC001272447563 1197082711 /nfs/dbraw/zinc/08/27/11/1197082711.db2.gz YWYVTHYRHANKPB-MRXNPFEDSA-N 2 2 359.474 0.773 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000992418948 1197098226 /nfs/dbraw/zinc/09/82/26/1197098226.db2.gz ZPMGUBNZAYWFHM-QDIHITRGSA-N 2 2 370.457 0.740 20 0 FCADLP C[C@H](NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000174719944 1197178777 /nfs/dbraw/zinc/17/87/77/1197178777.db2.gz DTNBBEOUOHGPCM-KRWDZBQOSA-N 2 2 367.538 0.073 20 0 FCADLP C[C@H](NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000174719944 1197178790 /nfs/dbraw/zinc/17/87/90/1197178790.db2.gz DTNBBEOUOHGPCM-KRWDZBQOSA-N 2 2 367.538 0.073 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236489 1224396019 /nfs/dbraw/zinc/39/60/19/1224396019.db2.gz VGASJMFBWHAIIG-MAUKXSAKSA-N 3 2 360.506 0.303 20 0 FCADLP C[C@@H](CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000914067635 1197214849 /nfs/dbraw/zinc/21/48/49/1197214849.db2.gz XMJLADYQIDCHJM-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cc(C2CC2)no1 ZINC001272521637 1197251094 /nfs/dbraw/zinc/25/10/94/1197251094.db2.gz SCVQEXJEQFCRPE-BPLDGKMQSA-N 2 2 359.430 0.656 20 0 FCADLP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C)C(N)=O ZINC001106153429 1197310205 /nfs/dbraw/zinc/31/02/05/1197310205.db2.gz AZCKTUMRXSLSGO-IIAWOOMASA-N 2 2 361.490 0.710 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001099184419 1197316089 /nfs/dbraw/zinc/31/60/89/1197316089.db2.gz OLVRDQSOMFGLSJ-KSSFIOAISA-N 2 2 359.430 0.003 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001099184419 1197316097 /nfs/dbraw/zinc/31/60/97/1197316097.db2.gz OLVRDQSOMFGLSJ-KSSFIOAISA-N 2 2 359.430 0.003 20 0 FCADLP Cc1cc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001106171677 1197325378 /nfs/dbraw/zinc/32/53/78/1197325378.db2.gz FYUAQSSJSVRYTO-VHDGCEQUSA-N 2 2 363.462 0.271 20 0 FCADLP Cc1cc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C2CC2)[nH+]1 ZINC001106171677 1197325385 /nfs/dbraw/zinc/32/53/85/1197325385.db2.gz FYUAQSSJSVRYTO-VHDGCEQUSA-N 2 2 363.462 0.271 20 0 FCADLP C[C@@]12CN(C(=O)Cn3cc[nH+]c3)C[C@@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000992959915 1197631143 /nfs/dbraw/zinc/63/11/43/1197631143.db2.gz MVEUMHLFJYIJJE-UWVAXJGDSA-N 2 2 371.485 0.532 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199297 1197649222 /nfs/dbraw/zinc/64/92/22/1197649222.db2.gz TXIWTOZSZCVFGR-BZUAXINKSA-N 2 2 368.478 0.191 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199297 1197649223 /nfs/dbraw/zinc/64/92/23/1197649223.db2.gz TXIWTOZSZCVFGR-BZUAXINKSA-N 2 2 368.478 0.191 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)C1 ZINC001085224619 1197701284 /nfs/dbraw/zinc/70/12/84/1197701284.db2.gz NIWNHBLQKODTOV-BZUAXINKSA-N 2 2 363.510 0.705 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)C1 ZINC001085224619 1197701287 /nfs/dbraw/zinc/70/12/87/1197701287.db2.gz NIWNHBLQKODTOV-BZUAXINKSA-N 2 2 363.510 0.705 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085244567 1197737519 /nfs/dbraw/zinc/73/75/19/1197737519.db2.gz KTYSBZUUMROJPT-ZIAGYGMSSA-N 2 2 354.418 0.917 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1)N1CCC1 ZINC001085248749 1197745529 /nfs/dbraw/zinc/74/55/29/1197745529.db2.gz XWIWWLMYTBFOEH-USXIJHARSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001085249692 1197747135 /nfs/dbraw/zinc/74/71/35/1197747135.db2.gz NPNDKZFOHNLTPS-ARFHVFGLSA-N 2 2 357.462 0.754 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106226318 1197753571 /nfs/dbraw/zinc/75/35/71/1197753571.db2.gz WUYLKRGOTIAFBK-CHWSQXEVSA-N 2 2 360.418 0.653 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106226318 1197753586 /nfs/dbraw/zinc/75/35/86/1197753586.db2.gz WUYLKRGOTIAFBK-CHWSQXEVSA-N 2 2 360.418 0.653 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085308894 1197810803 /nfs/dbraw/zinc/81/08/03/1197810803.db2.gz NVWHPBXNUNQCCF-OAGGEKHMSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085308894 1197810810 /nfs/dbraw/zinc/81/08/10/1197810810.db2.gz NVWHPBXNUNQCCF-OAGGEKHMSA-N 2 2 364.494 0.441 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993087577 1197811263 /nfs/dbraw/zinc/81/12/63/1197811263.db2.gz TVQPLUMDRWTHOP-FCEWJHQRSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993087577 1197811266 /nfs/dbraw/zinc/81/12/66/1197811266.db2.gz TVQPLUMDRWTHOP-FCEWJHQRSA-N 2 2 359.474 0.532 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106278683 1197820076 /nfs/dbraw/zinc/82/00/76/1197820076.db2.gz GTVVSBQISGSXRI-KLHDSHLOSA-N 2 2 361.490 0.970 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106278683 1197820080 /nfs/dbraw/zinc/82/00/80/1197820080.db2.gz GTVVSBQISGSXRI-KLHDSHLOSA-N 2 2 361.490 0.970 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CC(=O)NC3CC3)[C@H](C)C2)c[nH+]1 ZINC001106307702 1197852287 /nfs/dbraw/zinc/85/22/87/1197852287.db2.gz OYYHSBBKVPDNAR-UKRRQHHQSA-N 2 2 361.490 0.889 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCC3)[C@H](C)C2)c[nH+]1 ZINC001106307445 1197852538 /nfs/dbraw/zinc/85/25/38/1197852538.db2.gz MBQMVZCSPJGWQU-GDBMZVCRSA-N 2 2 361.490 0.843 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106309016 1197861615 /nfs/dbraw/zinc/86/16/15/1197861615.db2.gz LVJODHCWUSNXOJ-GDBMZVCRSA-N 2 2 362.474 0.843 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106308895 1197861651 /nfs/dbraw/zinc/86/16/51/1197861651.db2.gz GNNYLYXFIXALQE-GDBMZVCRSA-N 2 2 362.474 0.841 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001085394464 1197863074 /nfs/dbraw/zinc/86/30/74/1197863074.db2.gz MIDGDJOJOIFRNU-NUEKZKHPSA-N 2 2 357.462 0.759 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)o1 ZINC001085429422 1197896384 /nfs/dbraw/zinc/89/63/84/1197896384.db2.gz RNLZWLLKYKZDMA-RBSFLKMASA-N 2 2 365.478 0.870 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)o1 ZINC001085429422 1197896387 /nfs/dbraw/zinc/89/63/87/1197896387.db2.gz RNLZWLLKYKZDMA-RBSFLKMASA-N 2 2 365.478 0.870 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085432931 1197899153 /nfs/dbraw/zinc/89/91/53/1197899153.db2.gz XLEHGYDYRDKUKE-KFWWJZLASA-N 2 2 364.494 0.500 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085432931 1197899158 /nfs/dbraw/zinc/89/91/58/1197899158.db2.gz XLEHGYDYRDKUKE-KFWWJZLASA-N 2 2 364.494 0.500 20 0 FCADLP CCOC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c2c1OCCO2 ZINC001219373387 1224445555 /nfs/dbraw/zinc/44/55/55/1224445555.db2.gz RAFRFAQEJYMCRK-LBPRGKRZSA-N 2 2 360.370 0.866 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)c1nnnn1C1CC1 ZINC001085438695 1197906217 /nfs/dbraw/zinc/90/62/17/1197906217.db2.gz AYYWHTUWQUZBHU-NWANDNLSSA-N 2 2 358.450 0.983 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCn3ccnc3)C[C@H](C1)O2)C1CCCC1 ZINC001273339688 1197930352 /nfs/dbraw/zinc/93/03/52/1197930352.db2.gz URFZUCVNGSTXGH-HDICACEKSA-N 2 2 361.490 0.669 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2C[NH+](CCn3ccnc3)C[C@H](C1)O2)C1CCCC1 ZINC001273339688 1197930356 /nfs/dbraw/zinc/93/03/56/1197930356.db2.gz URFZUCVNGSTXGH-HDICACEKSA-N 2 2 361.490 0.669 20 0 FCADLP C[NH+](CC(=O)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2)C1CCCC1 ZINC001273339688 1197930359 /nfs/dbraw/zinc/93/03/59/1197930359.db2.gz URFZUCVNGSTXGH-HDICACEKSA-N 2 2 361.490 0.669 20 0 FCADLP C[NH+](CC(=O)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2)C1CCCC1 ZINC001273339688 1197930361 /nfs/dbraw/zinc/93/03/61/1197930361.db2.gz URFZUCVNGSTXGH-HDICACEKSA-N 2 2 361.490 0.669 20 0 FCADLP CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001273354267 1197975052 /nfs/dbraw/zinc/97/50/52/1197975052.db2.gz OSMGZLJWILSCNH-LJQANCHMSA-N 2 2 361.490 0.650 20 0 FCADLP CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001273354267 1197975054 /nfs/dbraw/zinc/97/50/54/1197975054.db2.gz OSMGZLJWILSCNH-LJQANCHMSA-N 2 2 361.490 0.650 20 0 FCADLP CC[NH+](C)CC(=O)N1CC[N@H+](Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001273354267 1197975058 /nfs/dbraw/zinc/97/50/58/1197975058.db2.gz OSMGZLJWILSCNH-LJQANCHMSA-N 2 2 361.490 0.650 20 0 FCADLP CC[NH+](C)CC(=O)N1CC[N@@H+](Cc2ccc[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001273354267 1197975060 /nfs/dbraw/zinc/97/50/60/1197975060.db2.gz OSMGZLJWILSCNH-LJQANCHMSA-N 2 2 361.490 0.650 20 0 FCADLP CN1Cc2cc(NC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)ccc2N(C)C1=O ZINC001219396337 1224453437 /nfs/dbraw/zinc/45/34/37/1224453437.db2.gz UHSCWRZJFKKKEN-HNNXBMFYSA-N 2 2 360.462 0.377 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453698 1224475680 /nfs/dbraw/zinc/47/56/80/1224475680.db2.gz NNGRWCULOQVGMW-LSDHHAIUSA-N 3 2 366.412 0.810 20 0 FCADLP [NH3+]CCOCCOCC(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219457249 1224476300 /nfs/dbraw/zinc/47/63/00/1224476300.db2.gz YWRSQTCSPLKQEF-HNNXBMFYSA-N 2 2 373.400 0.993 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)c1 ZINC001219543831 1224505418 /nfs/dbraw/zinc/50/54/18/1224505418.db2.gz SEOAERRDABOODZ-SJORKVTESA-N 2 2 358.442 0.850 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)c1 ZINC001219543831 1224505424 /nfs/dbraw/zinc/50/54/24/1224505424.db2.gz SEOAERRDABOODZ-SJORKVTESA-N 2 2 358.442 0.850 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219552658 1224506166 /nfs/dbraw/zinc/50/61/66/1224506166.db2.gz GFTLTEBEVSTIER-SJORKVTESA-N 2 2 358.442 0.755 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](O)C2)cc1 ZINC001219552658 1224506171 /nfs/dbraw/zinc/50/61/71/1224506171.db2.gz GFTLTEBEVSTIER-SJORKVTESA-N 2 2 358.442 0.755 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C ZINC001086482826 1198955775 /nfs/dbraw/zinc/95/57/75/1198955775.db2.gz YOTDPYMGGIOJCS-QSLWVIQJSA-N 2 2 358.450 0.293 20 0 FCADLP COc1ccc(CN2CC[C@@H](NC(=[NH2+])N3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168896105 1199038372 /nfs/dbraw/zinc/03/83/72/1199038372.db2.gz MENHCIMPMKWDLU-MRXNPFEDSA-N 2 2 359.474 0.958 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129369583 1199130906 /nfs/dbraw/zinc/13/09/06/1199130906.db2.gz BADFFGRFZZRLNA-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129369583 1199130909 /nfs/dbraw/zinc/13/09/09/1199130909.db2.gz BADFFGRFZZRLNA-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129369583 1199130913 /nfs/dbraw/zinc/13/09/13/1199130913.db2.gz BADFFGRFZZRLNA-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001129369583 1199130919 /nfs/dbraw/zinc/13/09/19/1199130919.db2.gz BADFFGRFZZRLNA-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001219662915 1224548472 /nfs/dbraw/zinc/54/84/72/1224548472.db2.gz OKUCTUHMCJHQBP-SJORKVTESA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001219662915 1224548478 /nfs/dbraw/zinc/54/84/78/1224548478.db2.gz OKUCTUHMCJHQBP-SJORKVTESA-N 2 2 362.474 0.350 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728706 1224580930 /nfs/dbraw/zinc/58/09/30/1224580930.db2.gz FIIKVIJMNIPWBO-QYZOEREBSA-N 4 2 371.529 0.294 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728706 1224580937 /nfs/dbraw/zinc/58/09/37/1224580937.db2.gz FIIKVIJMNIPWBO-QYZOEREBSA-N 4 2 371.529 0.294 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731628 1224582637 /nfs/dbraw/zinc/58/26/37/1224582637.db2.gz FDEKNPXGUSVYFE-UAGQMJEPSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731628 1224582645 /nfs/dbraw/zinc/58/26/45/1224582645.db2.gz FDEKNPXGUSVYFE-UAGQMJEPSA-N 2 2 370.469 0.887 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293426 1200151315 /nfs/dbraw/zinc/15/13/15/1200151315.db2.gz BWLCTGMTFVFJTP-BDXSIMOUSA-N 2 2 362.518 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293426 1200151321 /nfs/dbraw/zinc/15/13/21/1200151321.db2.gz BWLCTGMTFVFJTP-BDXSIMOUSA-N 2 2 362.518 0.966 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001109384951 1200236193 /nfs/dbraw/zinc/23/61/93/1200236193.db2.gz UQXWDJQYULAPCT-NCOADZHNSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001109384951 1200236194 /nfs/dbraw/zinc/23/61/94/1200236194.db2.gz UQXWDJQYULAPCT-NCOADZHNSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001109384951 1200236195 /nfs/dbraw/zinc/23/61/95/1200236195.db2.gz UQXWDJQYULAPCT-NCOADZHNSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001109384951 1200236196 /nfs/dbraw/zinc/23/61/96/1200236196.db2.gz UQXWDJQYULAPCT-NCOADZHNSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109386005 1200237144 /nfs/dbraw/zinc/23/71/44/1200237144.db2.gz HLMFRZZSOVUSLT-ORQFMDKSSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109386005 1200237149 /nfs/dbraw/zinc/23/71/49/1200237149.db2.gz HLMFRZZSOVUSLT-ORQFMDKSSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109386005 1200237153 /nfs/dbraw/zinc/23/71/53/1200237153.db2.gz HLMFRZZSOVUSLT-ORQFMDKSSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109386005 1200237156 /nfs/dbraw/zinc/23/71/56/1200237156.db2.gz HLMFRZZSOVUSLT-ORQFMDKSSA-N 2 2 359.474 0.980 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109674681 1200462183 /nfs/dbraw/zinc/46/21/83/1200462183.db2.gz YUZGAJKWBZOVIQ-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109674681 1200462186 /nfs/dbraw/zinc/46/21/86/1200462186.db2.gz YUZGAJKWBZOVIQ-RDBSUJKOSA-N 2 2 367.494 0.284 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796467 1224617193 /nfs/dbraw/zinc/61/71/93/1224617193.db2.gz BQYBYYKDCZDGMG-ZACQAIPSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796467 1224617197 /nfs/dbraw/zinc/61/71/97/1224617197.db2.gz BQYBYYKDCZDGMG-ZACQAIPSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219796467 1224617200 /nfs/dbraw/zinc/61/72/00/1224617200.db2.gz BQYBYYKDCZDGMG-ZACQAIPSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001219796467 1224617203 /nfs/dbraw/zinc/61/72/03/1224617203.db2.gz BQYBYYKDCZDGMG-ZACQAIPSSA-N 2 2 368.522 0.277 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796513 1224617472 /nfs/dbraw/zinc/61/74/72/1224617472.db2.gz DZLABGXRMCVWJY-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796513 1224617473 /nfs/dbraw/zinc/61/74/73/1224617473.db2.gz DZLABGXRMCVWJY-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219796513 1224617474 /nfs/dbraw/zinc/61/74/74/1224617474.db2.gz DZLABGXRMCVWJY-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001219796513 1224617475 /nfs/dbraw/zinc/61/74/75/1224617475.db2.gz DZLABGXRMCVWJY-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)cc1 ZINC001109841234 1200555776 /nfs/dbraw/zinc/55/57/76/1200555776.db2.gz NXQDGWCADUSMQS-PMPSAXMXSA-N 2 2 373.457 0.278 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)cc1 ZINC001109841234 1200555784 /nfs/dbraw/zinc/55/57/84/1200555784.db2.gz NXQDGWCADUSMQS-PMPSAXMXSA-N 2 2 373.457 0.278 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847765 1200559893 /nfs/dbraw/zinc/55/98/93/1200559893.db2.gz GHXZKVRSWWPOJX-QZWWFDLISA-N 2 2 366.506 0.474 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847765 1200559896 /nfs/dbraw/zinc/55/98/96/1200559896.db2.gz GHXZKVRSWWPOJX-QZWWFDLISA-N 2 2 366.506 0.474 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847700 1200560549 /nfs/dbraw/zinc/56/05/49/1200560549.db2.gz CRXCFPCBNBWKSK-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847700 1200560555 /nfs/dbraw/zinc/56/05/55/1200560555.db2.gz CRXCFPCBNBWKSK-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109868498 1200578147 /nfs/dbraw/zinc/57/81/47/1200578147.db2.gz TYBIBZPBGNVGPM-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001109868498 1200578152 /nfs/dbraw/zinc/57/81/52/1200578152.db2.gz TYBIBZPBGNVGPM-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001219800909 1224620784 /nfs/dbraw/zinc/62/07/84/1224620784.db2.gz YVQFZFNCSAFDOJ-QRVBRYPASA-N 2 2 371.485 0.217 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O ZINC001219800909 1224620789 /nfs/dbraw/zinc/62/07/89/1224620789.db2.gz YVQFZFNCSAFDOJ-QRVBRYPASA-N 2 2 371.485 0.217 20 0 FCADLP O=C(C[NH2+][C@@H](CCO)C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000771798098 1200639197 /nfs/dbraw/zinc/63/91/97/1200639197.db2.gz DXOCZXNLMXSMDH-IBGZPJMESA-N 2 2 361.486 0.886 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)CCC1 ZINC001219802631 1224622754 /nfs/dbraw/zinc/62/27/54/1224622754.db2.gz XVQHVFOGGXHJQQ-KFWWJZLASA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)CCC1 ZINC001219802631 1224622758 /nfs/dbraw/zinc/62/27/58/1224622758.db2.gz XVQHVFOGGXHJQQ-KFWWJZLASA-N 2 2 366.506 0.031 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975885 1200658340 /nfs/dbraw/zinc/65/83/40/1200658340.db2.gz ISGCXTJSVMVQOK-JHNDHUHGSA-N 2 2 361.490 0.941 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975885 1200658353 /nfs/dbraw/zinc/65/83/53/1200658353.db2.gz ISGCXTJSVMVQOK-JHNDHUHGSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977707 1200660462 /nfs/dbraw/zinc/66/04/62/1200660462.db2.gz WDTIAZWJVCZKLV-YVSFHVDLSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977707 1200660464 /nfs/dbraw/zinc/66/04/64/1200660464.db2.gz WDTIAZWJVCZKLV-YVSFHVDLSA-N 2 2 368.522 0.447 20 0 FCADLP [NH3+][C@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CCc2ccccc21 ZINC001219806288 1224625637 /nfs/dbraw/zinc/62/56/37/1224625637.db2.gz QIHBGUMJTUWRNG-LJQANCHMSA-N 2 2 353.426 0.153 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001110013574 1200702112 /nfs/dbraw/zinc/70/21/12/1200702112.db2.gz PWOWLJHTVIWATA-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001110013574 1200702117 /nfs/dbraw/zinc/70/21/17/1200702117.db2.gz PWOWLJHTVIWATA-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOCC ZINC001110013574 1200702122 /nfs/dbraw/zinc/70/21/22/1200702122.db2.gz PWOWLJHTVIWATA-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOCC ZINC001110013574 1200702131 /nfs/dbraw/zinc/70/21/31/1200702131.db2.gz PWOWLJHTVIWATA-IKGGRYGDSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC001090435173 1200734241 /nfs/dbraw/zinc/73/42/41/1200734241.db2.gz HVUDYJQYEHSAPR-IAGOWNOFSA-N 2 2 361.490 0.944 20 0 FCADLP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563151 1200795780 /nfs/dbraw/zinc/79/57/80/1200795780.db2.gz IIWHBCONXXFBCO-LPHOPBHVSA-N 2 2 364.490 0.844 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2)C(=O)N(C)C ZINC001112563094 1200795983 /nfs/dbraw/zinc/79/59/83/1200795983.db2.gz FHDSGLSWLJPNGH-VCBZYWHSSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563014 1200796060 /nfs/dbraw/zinc/79/60/60/1200796060.db2.gz AKRRZUFYQSQFNI-KXBFYZLASA-N 2 2 361.490 0.706 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccncc3)C2)CC1 ZINC000786786452 1200852142 /nfs/dbraw/zinc/85/21/42/1200852142.db2.gz NFAWSJVMYLTNBM-INIZCTEOSA-N 2 2 359.474 0.025 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccncc3)C2)CC1 ZINC000786786452 1200852144 /nfs/dbraw/zinc/85/21/44/1200852144.db2.gz NFAWSJVMYLTNBM-INIZCTEOSA-N 2 2 359.474 0.025 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000788564109 1200965600 /nfs/dbraw/zinc/96/56/00/1200965600.db2.gz PHYWEHPEOCSXNM-OAGGEKHMSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000788564109 1200965610 /nfs/dbraw/zinc/96/56/10/1200965610.db2.gz PHYWEHPEOCSXNM-OAGGEKHMSA-N 2 2 359.474 0.869 20 0 FCADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361497 1201067907 /nfs/dbraw/zinc/06/79/07/1201067907.db2.gz BYPBUTJLAAJGFB-OLZOCXBDSA-N 2 2 362.482 0.537 20 0 FCADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361497 1201067914 /nfs/dbraw/zinc/06/79/14/1201067914.db2.gz BYPBUTJLAAJGFB-OLZOCXBDSA-N 2 2 362.482 0.537 20 0 FCADLP O=C1CCCN1[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361056 1201068701 /nfs/dbraw/zinc/06/87/01/1201068701.db2.gz BCQYNXFLPGMCIN-VQIMIIECSA-N 2 2 362.474 0.947 20 0 FCADLP O=C1CCCN1[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361056 1201068710 /nfs/dbraw/zinc/06/87/10/1201068710.db2.gz BCQYNXFLPGMCIN-VQIMIIECSA-N 2 2 362.474 0.947 20 0 FCADLP O=C1O[C@@]2(CN1CN1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371615 1201076039 /nfs/dbraw/zinc/07/60/39/1201076039.db2.gz TVLYEZHNJCZSLN-IEBWSBKVSA-N 2 2 364.490 0.657 20 0 FCADLP [NH3+][C@H](CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C(=O)OCc1ccccc1 ZINC001219849867 1224652412 /nfs/dbraw/zinc/65/24/12/1224652412.db2.gz IOEIBMNKGYNMMF-MWDXBVQZSA-N 2 2 361.442 0.188 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102033 1201287930 /nfs/dbraw/zinc/28/79/30/1201287930.db2.gz PQYPQGCMUFBZLY-MVJTYMMSSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102033 1201287934 /nfs/dbraw/zinc/28/79/34/1201287934.db2.gz PQYPQGCMUFBZLY-MVJTYMMSSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110102033 1201287939 /nfs/dbraw/zinc/28/79/39/1201287939.db2.gz PQYPQGCMUFBZLY-MVJTYMMSSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110102033 1201287945 /nfs/dbraw/zinc/28/79/45/1201287945.db2.gz PQYPQGCMUFBZLY-MVJTYMMSSA-N 2 2 374.485 0.911 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129407657 1201298001 /nfs/dbraw/zinc/29/80/01/1201298001.db2.gz RRINBUJWURUSCG-CVEARBPZSA-N 2 2 361.450 0.320 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129407657 1201298006 /nfs/dbraw/zinc/29/80/06/1201298006.db2.gz RRINBUJWURUSCG-CVEARBPZSA-N 2 2 361.450 0.320 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129404192 1201308710 /nfs/dbraw/zinc/30/87/10/1201308710.db2.gz NHKDAYUHNYIVAI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129404192 1201308719 /nfs/dbraw/zinc/30/87/19/1201308719.db2.gz NHKDAYUHNYIVAI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129404192 1201308724 /nfs/dbraw/zinc/30/87/24/1201308724.db2.gz NHKDAYUHNYIVAI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129404192 1201308733 /nfs/dbraw/zinc/30/87/33/1201308733.db2.gz NHKDAYUHNYIVAI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001086624306 1201360888 /nfs/dbraw/zinc/36/08/88/1201360888.db2.gz YDADFRMPKGHVOK-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001086624306 1201360898 /nfs/dbraw/zinc/36/08/98/1201360898.db2.gz YDADFRMPKGHVOK-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001086624306 1201360906 /nfs/dbraw/zinc/36/09/06/1201360906.db2.gz YDADFRMPKGHVOK-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001086624306 1201360916 /nfs/dbraw/zinc/36/09/16/1201360916.db2.gz YDADFRMPKGHVOK-NZSAHSFTSA-N 2 2 368.485 0.851 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219878105 1224668314 /nfs/dbraw/zinc/66/83/14/1224668314.db2.gz ZLYJWRONFLZTJQ-CVEARBPZSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219878105 1224668315 /nfs/dbraw/zinc/66/83/15/1224668315.db2.gz ZLYJWRONFLZTJQ-CVEARBPZSA-N 2 2 366.462 0.003 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803355 1201398055 /nfs/dbraw/zinc/39/80/55/1201398055.db2.gz HMJFCGXJFWJREG-ZNMIVQPWSA-N 2 2 361.450 0.137 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887943 1201413501 /nfs/dbraw/zinc/41/35/01/1201413501.db2.gz YFUWDWBSFGSKAO-CVEARBPZSA-N 2 2 361.450 0.401 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887943 1201413502 /nfs/dbraw/zinc/41/35/02/1201413502.db2.gz YFUWDWBSFGSKAO-CVEARBPZSA-N 2 2 361.450 0.401 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129898088 1201432339 /nfs/dbraw/zinc/43/23/39/1201432339.db2.gz MBGFXXIKOFWUGG-XOUADPBQSA-N 2 2 359.434 0.183 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129898088 1201432343 /nfs/dbraw/zinc/43/23/43/1201432343.db2.gz MBGFXXIKOFWUGG-XOUADPBQSA-N 2 2 359.434 0.183 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001129918560 1201440857 /nfs/dbraw/zinc/44/08/57/1201440857.db2.gz DOOINUXUBOMZRX-OIISXLGYSA-N 2 2 357.462 0.879 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129986750 1201468381 /nfs/dbraw/zinc/46/83/81/1201468381.db2.gz KSYVETPIOGMAQZ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109547 1201502987 /nfs/dbraw/zinc/50/29/87/1201502987.db2.gz ALFKEJXRHJDMNU-BMFZPTHFSA-N 2 2 363.441 0.734 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109783 1201503700 /nfs/dbraw/zinc/50/37/00/1201503700.db2.gz GXUCCRLFFOSIBY-BMFZPTHFSA-N 2 2 361.450 0.021 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(-c3cnn(C)c3)no2)O1 ZINC001130182437 1201525698 /nfs/dbraw/zinc/52/56/98/1201525698.db2.gz HTEGYCXBFXGGJL-MLGOLLRUSA-N 2 2 362.434 0.000 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(-c3cnn(C)c3)no2)O1 ZINC001130182437 1201525703 /nfs/dbraw/zinc/52/57/03/1201525703.db2.gz HTEGYCXBFXGGJL-MLGOLLRUSA-N 2 2 362.434 0.000 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CC1 ZINC001219921501 1224681853 /nfs/dbraw/zinc/68/18/53/1224681853.db2.gz KMTXFOJBQDHLQX-IXDOHACOSA-N 2 2 366.462 0.326 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CC1 ZINC001219921501 1224681854 /nfs/dbraw/zinc/68/18/54/1224681854.db2.gz KMTXFOJBQDHLQX-IXDOHACOSA-N 2 2 366.462 0.326 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130232195 1201557315 /nfs/dbraw/zinc/55/73/15/1201557315.db2.gz CFVWNTWWNYPOME-OFQRWUPVSA-N 2 2 366.510 0.879 20 0 FCADLP CC(C)[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)[NH+](C)C ZINC001130232458 1201557495 /nfs/dbraw/zinc/55/74/95/1201557495.db2.gz IDVOCCMQEFVEFP-KCQAQPDRSA-N 2 2 370.473 0.439 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978223 1224711119 /nfs/dbraw/zinc/71/11/19/1224711119.db2.gz HGMSSGOUUYPJNY-IRXDYDNUSA-N 2 2 356.470 0.766 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978223 1224711123 /nfs/dbraw/zinc/71/11/23/1224711123.db2.gz HGMSSGOUUYPJNY-IRXDYDNUSA-N 2 2 356.470 0.766 20 0 FCADLP CON(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806211289 1202714189 /nfs/dbraw/zinc/71/41/89/1202714189.db2.gz VYLBGJOWQVZUFI-KRWDZBQOSA-N 2 2 374.485 0.861 20 0 FCADLP CON(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806211289 1202714190 /nfs/dbraw/zinc/71/41/90/1202714190.db2.gz VYLBGJOWQVZUFI-KRWDZBQOSA-N 2 2 374.485 0.861 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001130632992 1202739648 /nfs/dbraw/zinc/73/96/48/1202739648.db2.gz YELWPKYQYYURST-GOEBONIOSA-N 2 2 360.462 0.317 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130635118 1202740293 /nfs/dbraw/zinc/74/02/93/1202740293.db2.gz JURAPVIDWKYTSW-DOTOQJQBSA-N 2 2 360.462 0.627 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000806501608 1202743101 /nfs/dbraw/zinc/74/31/01/1202743101.db2.gz ADLMWMAYKCNQIX-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130675533 1202753091 /nfs/dbraw/zinc/75/30/91/1202753091.db2.gz UWIQETKPQLJYEM-PNBKFKSVSA-N 2 2 372.473 0.224 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130817200 1202808007 /nfs/dbraw/zinc/80/80/07/1202808007.db2.gz FOESAYUOXJQRHC-QWHCGFSZSA-N 2 2 365.413 0.405 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001130819689 1202809281 /nfs/dbraw/zinc/80/92/81/1202809281.db2.gz DWEPPPLTICWZPC-UONOGXRCSA-N 2 2 359.434 0.537 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCCO ZINC001131017702 1202843126 /nfs/dbraw/zinc/84/31/26/1202843126.db2.gz HIQPWAFERZXMPC-RHSMWYFYSA-N 2 2 368.441 0.877 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038469 1202849633 /nfs/dbraw/zinc/84/96/33/1202849633.db2.gz TZVNKNGHQLHPLQ-HZPDHXFCSA-N 2 2 360.462 0.627 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131130497 1202869040 /nfs/dbraw/zinc/86/90/40/1202869040.db2.gz PXEBETCVAVHPNT-HZPDHXFCSA-N 2 2 360.462 0.833 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131130497 1202869043 /nfs/dbraw/zinc/86/90/43/1202869043.db2.gz PXEBETCVAVHPNT-HZPDHXFCSA-N 2 2 360.462 0.833 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000810432312 1202947341 /nfs/dbraw/zinc/94/73/41/1202947341.db2.gz TYZIEFTVSORJCX-UHFFFAOYSA-N 2 2 356.430 0.427 20 0 FCADLP CON(C)C(=O)C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000812292311 1202979783 /nfs/dbraw/zinc/97/97/83/1202979783.db2.gz KGQXOPWKMKAJSK-SFHVURJKSA-N 2 2 366.462 0.592 20 0 FCADLP COc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001134049558 1203011656 /nfs/dbraw/zinc/01/16/56/1203011656.db2.gz ILMHWWLXWNZWRE-HZPDHXFCSA-N 2 2 371.441 0.877 20 0 FCADLP Cn1c2ccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc2oc1=O ZINC000816549819 1203071898 /nfs/dbraw/zinc/07/18/98/1203071898.db2.gz YUIYIDDXWRPXIV-INIZCTEOSA-N 2 2 360.458 0.628 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001220103750 1224764586 /nfs/dbraw/zinc/76/45/86/1224764586.db2.gz GUHXKDHZDCHNHJ-MSOLQXFVSA-N 2 2 356.426 0.665 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001220103750 1224764594 /nfs/dbraw/zinc/76/45/94/1224764594.db2.gz GUHXKDHZDCHNHJ-MSOLQXFVSA-N 2 2 356.426 0.665 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)nc(C(C)C)[nH+]1 ZINC001090525761 1203107649 /nfs/dbraw/zinc/10/76/49/1203107649.db2.gz YOAAEZZIIDWHEM-HUUCEWRRSA-N 2 2 361.490 0.916 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)ccc1C ZINC001220105884 1224766283 /nfs/dbraw/zinc/76/62/83/1224766283.db2.gz PMIFUEOANHZJCA-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)ccc1C ZINC001220105884 1224766290 /nfs/dbraw/zinc/76/62/90/1224766290.db2.gz PMIFUEOANHZJCA-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817981967 1203130138 /nfs/dbraw/zinc/13/01/38/1203130138.db2.gz AIVJIAARKWMGSA-RYQLBKOJSA-N 2 2 363.458 0.991 20 0 FCADLP Cc1c(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)c(=O)n(-c2ccccc2)n1C ZINC001220110987 1224771830 /nfs/dbraw/zinc/77/18/30/1224771830.db2.gz GCTSMYUSZNGGLF-INIZCTEOSA-N 2 2 372.473 0.173 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn(-c4cccnc4)nn3)CC2)CC1 ZINC001136491430 1203215539 /nfs/dbraw/zinc/21/55/39/1203215539.db2.gz RFGXKYKRTUXSFS-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4C[NH2+]CCO4)n3)cc2)CC1 ZINC000822925588 1203240404 /nfs/dbraw/zinc/24/04/04/1203240404.db2.gz FMCWASXXJPXKLQ-OAHLLOKOSA-N 2 2 357.414 0.785 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@H]4COCC[NH2+]4)n3)cc2)CC1 ZINC000822926120 1203240857 /nfs/dbraw/zinc/24/08/57/1203240857.db2.gz SJCIFLPAHFUDAC-INIZCTEOSA-N 2 2 371.441 0.655 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1 ZINC000824037176 1203281789 /nfs/dbraw/zinc/28/17/89/1203281789.db2.gz DEWURBWAUWBDMM-KRWDZBQOSA-N 2 2 358.490 0.985 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001090810544 1203307459 /nfs/dbraw/zinc/30/74/59/1203307459.db2.gz BQIGUTQGVZPCFP-TZMCWYRMSA-N 2 2 357.462 0.646 20 0 FCADLP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000844184301 1203338768 /nfs/dbraw/zinc/33/87/68/1203338768.db2.gz IGXWXZUFLVRIBE-OALUTQOASA-N 2 2 361.486 0.815 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220197409 1224799545 /nfs/dbraw/zinc/79/95/45/1224799545.db2.gz BMJQTEFZIBHDFS-UWJYYQICSA-N 2 2 370.497 0.693 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224429 1224807722 /nfs/dbraw/zinc/80/77/22/1224807722.db2.gz MULHWZHXMGXFFJ-NXHRZFHOSA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224429 1224807725 /nfs/dbraw/zinc/80/77/25/1224807725.db2.gz MULHWZHXMGXFFJ-NXHRZFHOSA-N 2 2 364.490 0.732 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229066 1224810188 /nfs/dbraw/zinc/81/01/88/1224810188.db2.gz LDOQNVIKHAZVCS-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229066 1224810190 /nfs/dbraw/zinc/81/01/90/1224810190.db2.gz LDOQNVIKHAZVCS-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001220228959 1224810293 /nfs/dbraw/zinc/81/02/93/1224810293.db2.gz GEQLXIGFLSENGR-ZACQAIPSSA-N 2 2 365.449 0.362 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@@H]2O)CC1 ZINC001220228959 1224810295 /nfs/dbraw/zinc/81/02/95/1224810295.db2.gz GEQLXIGFLSENGR-ZACQAIPSSA-N 2 2 365.449 0.362 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269101 1224817247 /nfs/dbraw/zinc/81/72/47/1224817247.db2.gz POSDZJSZANQGTQ-BMFZPTHFSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269101 1224817249 /nfs/dbraw/zinc/81/72/49/1224817249.db2.gz POSDZJSZANQGTQ-BMFZPTHFSA-N 2 2 368.522 0.183 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1O ZINC001220276634 1224819144 /nfs/dbraw/zinc/81/91/44/1224819144.db2.gz GHJJRFUZKGQWCU-SJORKVTESA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1O ZINC001220276634 1224819146 /nfs/dbraw/zinc/81/91/46/1224819146.db2.gz GHJJRFUZKGQWCU-SJORKVTESA-N 2 2 366.506 0.033 20 0 FCADLP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220296380 1224823032 /nfs/dbraw/zinc/82/30/32/1224823032.db2.gz OCMVLUQQMNVLTO-QIYNHLNTSA-N 2 2 370.453 0.708 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001220297209 1224823330 /nfs/dbraw/zinc/82/33/30/1224823330.db2.gz POWUCXCTLFEMHD-SOLBZPMBSA-N 2 2 363.506 0.395 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001220297209 1224823333 /nfs/dbraw/zinc/82/33/33/1224823333.db2.gz POWUCXCTLFEMHD-SOLBZPMBSA-N 2 2 363.506 0.395 20 0 FCADLP CN(C[C@@](C)(O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000844277106 1204388022 /nfs/dbraw/zinc/38/80/22/1204388022.db2.gz YRFCNLQTKFGIEH-GOSISDBHSA-N 2 2 372.510 0.310 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845207060 1204481514 /nfs/dbraw/zinc/48/15/14/1204481514.db2.gz SMFQWMOBTUVJRD-CABCVRRESA-N 2 2 372.510 0.668 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374591 1204496709 /nfs/dbraw/zinc/49/67/09/1204496709.db2.gz ARKULJJHGCKLDD-CABCVRRESA-N 2 2 372.510 0.668 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374591 1204496713 /nfs/dbraw/zinc/49/67/13/1204496713.db2.gz ARKULJJHGCKLDD-CABCVRRESA-N 2 2 372.510 0.668 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1O ZINC001091106305 1204506029 /nfs/dbraw/zinc/50/60/29/1204506029.db2.gz AXQGYHZOPUMSNZ-SJORKVTESA-N 2 2 361.490 0.671 20 0 FCADLP CCCn1ncnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096207 1204513494 /nfs/dbraw/zinc/51/34/94/1204513494.db2.gz NDRLFDZJBQCEQO-PRLABOORSA-N 2 2 364.494 0.392 20 0 FCADLP CCCn1ncnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096207 1204513496 /nfs/dbraw/zinc/51/34/96/1204513496.db2.gz NDRLFDZJBQCEQO-PRLABOORSA-N 2 2 364.494 0.392 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1O)[NH+](C)C ZINC001091127826 1204531840 /nfs/dbraw/zinc/53/18/40/1204531840.db2.gz RCEGTLMZBSYTMN-IKGGRYGDSA-N 2 2 361.490 0.670 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001091153724 1204544271 /nfs/dbraw/zinc/54/42/71/1204544271.db2.gz QQKNFFQELNPAHB-OAGGEKHMSA-N 2 2 367.469 0.747 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001091239835 1204630646 /nfs/dbraw/zinc/63/06/46/1204630646.db2.gz NDDZJNOQQMYMCA-NEXFUWMNSA-N 2 2 360.462 0.033 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358018 1224842580 /nfs/dbraw/zinc/84/25/80/1224842580.db2.gz OGWKIQBPONOHOE-QAETUUGQSA-N 3 2 360.458 0.109 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565731 1204727269 /nfs/dbraw/zinc/72/72/69/1204727269.db2.gz WWVFFWMLPSGFBM-LMMKCTJWSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565731 1204727277 /nfs/dbraw/zinc/72/72/77/1204727277.db2.gz WWVFFWMLPSGFBM-LMMKCTJWSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565731 1204727281 /nfs/dbraw/zinc/72/72/81/1204727281.db2.gz WWVFFWMLPSGFBM-LMMKCTJWSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565731 1204727285 /nfs/dbraw/zinc/72/72/85/1204727285.db2.gz WWVFFWMLPSGFBM-LMMKCTJWSA-N 2 2 359.474 0.396 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O)[NH+](C)C ZINC001220377812 1224848718 /nfs/dbraw/zinc/84/87/18/1224848718.db2.gz OYLOGZWIGFZYCL-PMPSAXMXSA-N 2 2 363.458 0.459 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O)[NH+](C)C ZINC001220377812 1224848719 /nfs/dbraw/zinc/84/87/19/1224848719.db2.gz OYLOGZWIGFZYCL-PMPSAXMXSA-N 2 2 363.458 0.459 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091635431 1204791447 /nfs/dbraw/zinc/79/14/47/1204791447.db2.gz PWJHIYYKPGWNMQ-CLCXKQKWSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091635431 1204791454 /nfs/dbraw/zinc/79/14/54/1204791454.db2.gz PWJHIYYKPGWNMQ-CLCXKQKWSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220385626 1224852454 /nfs/dbraw/zinc/85/24/54/1224852454.db2.gz KIKCZJWKCWGJGG-NXHRZFHOSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220385626 1224852458 /nfs/dbraw/zinc/85/24/58/1224852458.db2.gz KIKCZJWKCWGJGG-NXHRZFHOSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220386164 1224852844 /nfs/dbraw/zinc/85/28/44/1224852844.db2.gz ZNNVUIOEFZMAMA-JQHSSLGASA-N 2 2 362.474 0.244 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220386164 1224852845 /nfs/dbraw/zinc/85/28/45/1224852845.db2.gz ZNNVUIOEFZMAMA-JQHSSLGASA-N 2 2 362.474 0.244 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@]3(C)C2)n1 ZINC001091683194 1204821122 /nfs/dbraw/zinc/82/11/22/1204821122.db2.gz IZIOWDLKVOHIOU-LFEHRJTNSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@]3(C)C2)n1 ZINC001091683194 1204821123 /nfs/dbraw/zinc/82/11/23/1204821123.db2.gz IZIOWDLKVOHIOU-LFEHRJTNSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@]3(C)C2)n1 ZINC001091683194 1204821124 /nfs/dbraw/zinc/82/11/24/1204821124.db2.gz IZIOWDLKVOHIOU-LFEHRJTNSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@]3(C)C2)n1 ZINC001091683194 1204821127 /nfs/dbraw/zinc/82/11/27/1204821127.db2.gz IZIOWDLKVOHIOU-LFEHRJTNSA-N 2 2 360.506 0.919 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091754191 1204844117 /nfs/dbraw/zinc/84/41/17/1204844117.db2.gz IFYWXCCZXXLXMS-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091754191 1204844118 /nfs/dbraw/zinc/84/41/18/1204844118.db2.gz IFYWXCCZXXLXMS-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091754191 1204844120 /nfs/dbraw/zinc/84/41/20/1204844120.db2.gz IFYWXCCZXXLXMS-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[NH+]2C[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091754191 1204844121 /nfs/dbraw/zinc/84/41/21/1204844121.db2.gz IFYWXCCZXXLXMS-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(C[NH+](C)C)c3)C2)n1 ZINC001086881958 1204856701 /nfs/dbraw/zinc/85/67/01/1204856701.db2.gz UARWQISMPLTFGE-WMLDXEAASA-N 2 2 371.489 0.960 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086984575 1204879184 /nfs/dbraw/zinc/87/91/84/1204879184.db2.gz SWVVZVAEWXBDCB-XLWVJDPXSA-N 2 2 368.441 0.875 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2[NH2+]CCF)cn1 ZINC001086984846 1204879611 /nfs/dbraw/zinc/87/96/11/1204879611.db2.gz HOQDDZZUKQOIGH-XOKHGSTOSA-N 2 2 360.437 0.733 20 0 FCADLP CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360157 1204880864 /nfs/dbraw/zinc/88/08/64/1204880864.db2.gz XDPZTXKCIQHLDQ-YNEHKIRRSA-N 2 2 364.450 0.233 20 0 FCADLP CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360157 1204880867 /nfs/dbraw/zinc/88/08/67/1204880867.db2.gz XDPZTXKCIQHLDQ-YNEHKIRRSA-N 2 2 364.450 0.233 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086987153 1204881182 /nfs/dbraw/zinc/88/11/82/1204881182.db2.gz CCOORUUDSSTLSM-VNQPRFMTSA-N 2 2 368.441 0.646 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001087012376 1204898771 /nfs/dbraw/zinc/89/87/71/1204898771.db2.gz ULHGRRANKZBAHL-JKSUJKDBSA-N 2 2 369.429 0.697 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087049704 1204926470 /nfs/dbraw/zinc/92/64/70/1204926470.db2.gz VXAMUZNAKLLNQH-GDBMZVCRSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087088157 1204976347 /nfs/dbraw/zinc/97/63/47/1204976347.db2.gz LXRYMLYWNUTVQE-GDBMZVCRSA-N 2 2 360.462 0.822 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087088256 1204977326 /nfs/dbraw/zinc/97/73/26/1204977326.db2.gz QCWXKMHGXKHJCH-RHSMWYFYSA-N 2 2 360.462 0.647 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805722 1205020125 /nfs/dbraw/zinc/02/01/25/1205020125.db2.gz MWAOJNJDYUXMJP-ACJLOTCBSA-N 2 2 363.462 0.218 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805722 1205020128 /nfs/dbraw/zinc/02/01/28/1205020128.db2.gz MWAOJNJDYUXMJP-ACJLOTCBSA-N 2 2 363.462 0.218 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910286 1205068721 /nfs/dbraw/zinc/06/87/21/1205068721.db2.gz QCELKEFGTWVVCQ-KDOFPFPSSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910286 1205068723 /nfs/dbraw/zinc/06/87/23/1205068723.db2.gz QCELKEFGTWVVCQ-KDOFPFPSSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)cc1=O ZINC001092051705 1205125643 /nfs/dbraw/zinc/12/56/43/1205125643.db2.gz JZXMBEJLDYBCAF-BEFAXECRSA-N 2 2 355.442 0.631 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)cc1=O ZINC001092051705 1205125644 /nfs/dbraw/zinc/12/56/44/1205125644.db2.gz JZXMBEJLDYBCAF-BEFAXECRSA-N 2 2 355.442 0.631 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)n1 ZINC001092071368 1205134769 /nfs/dbraw/zinc/13/47/69/1205134769.db2.gz SWNARUDIVSTNAI-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@]3(C)C2)n1 ZINC001092071368 1205134770 /nfs/dbraw/zinc/13/47/70/1205134770.db2.gz SWNARUDIVSTNAI-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441493 1224871889 /nfs/dbraw/zinc/87/18/89/1224871889.db2.gz DOKMGOUIXRVSOL-XKQJLSEDSA-N 2 2 371.441 0.295 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441493 1224871892 /nfs/dbraw/zinc/87/18/92/1224871892.db2.gz DOKMGOUIXRVSOL-XKQJLSEDSA-N 2 2 371.441 0.295 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092136663 1205178780 /nfs/dbraw/zinc/17/87/80/1205178780.db2.gz XKNSYVZRAXCQJX-LBTNJELSSA-N 2 2 355.446 0.512 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092136663 1205178785 /nfs/dbraw/zinc/17/87/85/1205178785.db2.gz XKNSYVZRAXCQJX-LBTNJELSSA-N 2 2 355.446 0.512 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199983 1205195179 /nfs/dbraw/zinc/19/51/79/1205195179.db2.gz ZIRZMUAIOXKHIE-LPMFXHHGSA-N 2 2 359.474 0.410 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199983 1205195191 /nfs/dbraw/zinc/19/51/91/1205195191.db2.gz ZIRZMUAIOXKHIE-LPMFXHHGSA-N 2 2 359.474 0.410 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001092199936 1205195509 /nfs/dbraw/zinc/19/55/09/1205195509.db2.gz WTAPRBIMEKTOED-BEFAXECRSA-N 2 2 356.474 0.719 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001092199936 1205195510 /nfs/dbraw/zinc/19/55/10/1205195510.db2.gz WTAPRBIMEKTOED-BEFAXECRSA-N 2 2 356.474 0.719 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203344 1205197977 /nfs/dbraw/zinc/19/79/77/1205197977.db2.gz KXMKZRLJEUEKED-QAPCUYQASA-N 2 2 358.490 0.674 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203344 1205197979 /nfs/dbraw/zinc/19/79/79/1205197979.db2.gz KXMKZRLJEUEKED-QAPCUYQASA-N 2 2 358.490 0.674 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273832 1205221081 /nfs/dbraw/zinc/22/10/81/1205221081.db2.gz SYRBLRXUFBXXIE-LBTNJELSSA-N 2 2 359.478 0.240 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273832 1205221086 /nfs/dbraw/zinc/22/10/86/1205221086.db2.gz SYRBLRXUFBXXIE-LBTNJELSSA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273832 1205221092 /nfs/dbraw/zinc/22/10/92/1205221092.db2.gz SYRBLRXUFBXXIE-LBTNJELSSA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)C1 ZINC001092273832 1205221096 /nfs/dbraw/zinc/22/10/96/1205221096.db2.gz SYRBLRXUFBXXIE-LBTNJELSSA-N 2 2 359.478 0.240 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)no1 ZINC001092505641 1205297205 /nfs/dbraw/zinc/29/72/05/1205297205.db2.gz SZUXHIQKPWEPOF-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)no1 ZINC001092505641 1205297211 /nfs/dbraw/zinc/29/72/11/1205297211.db2.gz SZUXHIQKPWEPOF-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)no1 ZINC001092505641 1205297217 /nfs/dbraw/zinc/29/72/17/1205297217.db2.gz SZUXHIQKPWEPOF-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@H](C)C2)no1 ZINC001092505641 1205297222 /nfs/dbraw/zinc/29/72/22/1205297222.db2.gz SZUXHIQKPWEPOF-YUELXQCFSA-N 2 2 363.462 0.700 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001092577561 1205321513 /nfs/dbraw/zinc/32/15/13/1205321513.db2.gz SGONIAMJCXSMQY-ZIAGYGMSSA-N 2 2 359.478 0.894 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001220528104 1224907754 /nfs/dbraw/zinc/90/77/54/1224907754.db2.gz ZBWXLZNQJGRUMB-ROUUACIJSA-N 3 2 355.486 0.838 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909208 1205939582 /nfs/dbraw/zinc/93/95/82/1205939582.db2.gz DWRNNTCFNRXXQF-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909208 1205939585 /nfs/dbraw/zinc/93/95/85/1205939585.db2.gz DWRNNTCFNRXXQF-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909208 1205939592 /nfs/dbraw/zinc/93/95/92/1205939592.db2.gz DWRNNTCFNRXXQF-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)n1 ZINC001092909208 1205939595 /nfs/dbraw/zinc/93/95/95/1205939595.db2.gz DWRNNTCFNRXXQF-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918868 1205943870 /nfs/dbraw/zinc/94/38/70/1205943870.db2.gz PWYJUTCQIFXWMD-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918868 1205943878 /nfs/dbraw/zinc/94/38/78/1205943878.db2.gz PWYJUTCQIFXWMD-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548088 1224920935 /nfs/dbraw/zinc/92/09/35/1224920935.db2.gz WBJNFZNEEITFTL-MSOLQXFVSA-N 2 2 371.522 0.323 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548088 1224920939 /nfs/dbraw/zinc/92/09/39/1224920939.db2.gz WBJNFZNEEITFTL-MSOLQXFVSA-N 2 2 371.522 0.323 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194889 1206052084 /nfs/dbraw/zinc/05/20/84/1206052084.db2.gz FOTOIOYPUZHTMC-BZUAXINKSA-N 2 2 363.510 0.609 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194889 1206052088 /nfs/dbraw/zinc/05/20/88/1206052088.db2.gz FOTOIOYPUZHTMC-BZUAXINKSA-N 2 2 363.510 0.609 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093194889 1206052090 /nfs/dbraw/zinc/05/20/90/1206052090.db2.gz FOTOIOYPUZHTMC-BZUAXINKSA-N 2 2 363.510 0.609 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093194889 1206052093 /nfs/dbraw/zinc/05/20/93/1206052093.db2.gz FOTOIOYPUZHTMC-BZUAXINKSA-N 2 2 363.510 0.609 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213066 1206060136 /nfs/dbraw/zinc/06/01/36/1206060136.db2.gz UOUZKPDARDPOSF-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213066 1206060139 /nfs/dbraw/zinc/06/01/39/1206060139.db2.gz UOUZKPDARDPOSF-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213066 1206060142 /nfs/dbraw/zinc/06/01/42/1206060142.db2.gz UOUZKPDARDPOSF-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213066 1206060146 /nfs/dbraw/zinc/06/01/46/1206060146.db2.gz UOUZKPDARDPOSF-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)c1 ZINC001110142899 1206068804 /nfs/dbraw/zinc/06/88/04/1206068804.db2.gz QFBVDCAWQNFIMW-PMPSAXMXSA-N 2 2 373.457 0.278 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)c1 ZINC001110142899 1206068807 /nfs/dbraw/zinc/06/88/07/1206068807.db2.gz QFBVDCAWQNFIMW-PMPSAXMXSA-N 2 2 373.457 0.278 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H]3CCNC3=O)C2)c[nH+]1 ZINC001093279893 1206070801 /nfs/dbraw/zinc/07/08/01/1206070801.db2.gz IKARWPWELRDHHX-BMFZPTHFSA-N 2 2 361.490 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093280802 1206071523 /nfs/dbraw/zinc/07/15/23/1206071523.db2.gz LHNJNJKUDQENJV-RBSFLKMASA-N 2 2 361.446 0.153 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+][C@@H]1CCCNC1=O ZINC001093287316 1206073232 /nfs/dbraw/zinc/07/32/32/1206073232.db2.gz DHASCBLVVXBQFH-BFYDXBDKSA-N 2 2 361.490 0.706 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C)[nH]1 ZINC001093872983 1206139099 /nfs/dbraw/zinc/13/90/99/1206139099.db2.gz DPNPDPNRQYEXIY-BPLDGKMQSA-N 2 2 357.462 0.756 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)C2 ZINC001093875130 1206139747 /nfs/dbraw/zinc/13/97/47/1206139747.db2.gz AUTCNNQQKRPXER-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)CC2 ZINC001093875130 1206139751 /nfs/dbraw/zinc/13/97/51/1206139751.db2.gz AUTCNNQQKRPXER-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)C2 ZINC001093875131 1206140133 /nfs/dbraw/zinc/14/01/33/1206140133.db2.gz AUTCNNQQKRPXER-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C1)CC2 ZINC001093875131 1206140136 /nfs/dbraw/zinc/14/01/36/1206140136.db2.gz AUTCNNQQKRPXER-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C)c1nnnn1C ZINC001093914145 1206148181 /nfs/dbraw/zinc/14/81/81/1206148181.db2.gz RHWABKUDSMXXRR-HZSPNIEDSA-N 2 2 368.445 0.917 20 0 FCADLP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)n1 ZINC001093951513 1206156992 /nfs/dbraw/zinc/15/69/92/1206156992.db2.gz NIEFWQRXXOXAKY-HUUCEWRRSA-N 2 2 358.446 0.956 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094034973 1206172855 /nfs/dbraw/zinc/17/28/55/1206172855.db2.gz YXGXPLGWRRQTQY-MGPQQGTHSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094033844 1206172980 /nfs/dbraw/zinc/17/29/80/1206172980.db2.gz CQZUJUMXHYLHPW-UMVBOHGHSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094055833 1206177486 /nfs/dbraw/zinc/17/74/86/1206177486.db2.gz HBIJTIZWHRMJKS-KBUPBQIOSA-N 2 2 357.462 0.536 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1noc2c1COCC2 ZINC001094075029 1206179744 /nfs/dbraw/zinc/17/97/44/1206179744.db2.gz WERBQAWXLWMKBX-CHWSQXEVSA-N 2 2 359.430 0.897 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078829 1206180498 /nfs/dbraw/zinc/18/04/98/1206180498.db2.gz GAGMBDKRFHPWEE-MGPQQGTHSA-N 2 2 361.450 0.140 20 0 FCADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)no1 ZINC001094110625 1206185770 /nfs/dbraw/zinc/18/57/70/1206185770.db2.gz JNRJWXXWFBKECE-IJEWVQPXSA-N 2 2 365.478 0.845 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094132547 1206190537 /nfs/dbraw/zinc/19/05/37/1206190537.db2.gz KEORWVFGNAFDKY-VXGBXAGGSA-N 2 2 367.404 0.693 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094162856 1206197118 /nfs/dbraw/zinc/19/71/18/1206197118.db2.gz XZYKVVGIMSMHDL-IIAWOOMASA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C)c1nnnn1C ZINC001094167197 1206198265 /nfs/dbraw/zinc/19/82/65/1206198265.db2.gz YNRPKTTWRFYRTP-JHJVBQTASA-N 2 2 360.466 0.656 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001094167026 1206198382 /nfs/dbraw/zinc/19/83/82/1206198382.db2.gz SNDVBWOXPVLJIJ-TZMCWYRMSA-N 2 2 357.462 0.842 20 0 FCADLP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001094167220 1206198390 /nfs/dbraw/zinc/19/83/90/1206198390.db2.gz ZGMWGCVRBAMHJX-ZIAGYGMSSA-N 2 2 360.466 0.243 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)c1nnnn1C ZINC001094196869 1206206175 /nfs/dbraw/zinc/20/61/75/1206206175.db2.gz VPQGZXMMUFGMCW-HZSPNIEDSA-N 2 2 360.466 0.322 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094244395 1206209963 /nfs/dbraw/zinc/20/99/63/1206209963.db2.gz QLICIYRFAWVXSC-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP COCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001094254769 1206212812 /nfs/dbraw/zinc/21/28/12/1206212812.db2.gz KQSIRUAIKGDETH-MGPQQGTHSA-N 2 2 362.434 0.858 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2nnnn2C)CC3)CC[N@@H+]1C ZINC001094418937 1206223871 /nfs/dbraw/zinc/22/38/71/1206223871.db2.gz HCWUSZCLAMSDRZ-ATNYBXOESA-N 2 2 361.494 0.411 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2nnnn2C)CC3)CC[N@H+]1C ZINC001094418937 1206223872 /nfs/dbraw/zinc/22/38/72/1206223872.db2.gz HCWUSZCLAMSDRZ-ATNYBXOESA-N 2 2 361.494 0.411 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nnnn2C)CC3)CC[NH+]1C ZINC001094418937 1206223874 /nfs/dbraw/zinc/22/38/74/1206223874.db2.gz HCWUSZCLAMSDRZ-ATNYBXOESA-N 2 2 361.494 0.411 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2nnnn2C)CC3)CC[NH+]1C ZINC001094418937 1206223875 /nfs/dbraw/zinc/22/38/75/1206223875.db2.gz HCWUSZCLAMSDRZ-ATNYBXOESA-N 2 2 361.494 0.411 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568447 1224936773 /nfs/dbraw/zinc/93/67/73/1224936773.db2.gz NSRWMNFWQYRGHD-ZACQAIPSSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568447 1224936776 /nfs/dbraw/zinc/93/67/76/1224936776.db2.gz NSRWMNFWQYRGHD-ZACQAIPSSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568447 1224936780 /nfs/dbraw/zinc/93/67/80/1224936780.db2.gz NSRWMNFWQYRGHD-ZACQAIPSSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](CCCC)C(N)=O)C[C@@H]1O ZINC001220568447 1224936785 /nfs/dbraw/zinc/93/67/85/1224936785.db2.gz NSRWMNFWQYRGHD-ZACQAIPSSA-N 2 2 370.538 0.704 20 0 FCADLP CC(C)=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094750157 1206245803 /nfs/dbraw/zinc/24/58/03/1206245803.db2.gz XHJFKINSSJBVTB-BFYDXBDKSA-N 2 2 364.490 0.073 20 0 FCADLP CC(C)=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094750157 1206245807 /nfs/dbraw/zinc/24/58/07/1206245807.db2.gz XHJFKINSSJBVTB-BFYDXBDKSA-N 2 2 364.490 0.073 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001177993765 1206351121 /nfs/dbraw/zinc/35/11/21/1206351121.db2.gz ONNONVUHEGGEFS-SOUVJXGZSA-N 2 2 356.430 0.790 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC001178103628 1206352496 /nfs/dbraw/zinc/35/24/96/1206352496.db2.gz VXDOSLNRYNUVSU-BRWVUGGUSA-N 2 2 362.474 0.641 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC001178103628 1206352498 /nfs/dbraw/zinc/35/24/98/1206352498.db2.gz VXDOSLNRYNUVSU-BRWVUGGUSA-N 2 2 362.474 0.641 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001178692889 1206362394 /nfs/dbraw/zinc/36/23/94/1206362394.db2.gz UWROWXFEVOJNIV-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001178692889 1206362397 /nfs/dbraw/zinc/36/23/97/1206362397.db2.gz UWROWXFEVOJNIV-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001178692889 1206362400 /nfs/dbraw/zinc/36/24/00/1206362400.db2.gz UWROWXFEVOJNIV-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001178692889 1206362402 /nfs/dbraw/zinc/36/24/02/1206362402.db2.gz UWROWXFEVOJNIV-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+]1CCN(CC(=O)N(Cc2cn3c(n2)C[NH2+]CC3)c2ccccn2)CC1 ZINC001178948402 1206368243 /nfs/dbraw/zinc/36/82/43/1206368243.db2.gz KBSYJSKFXIOVDB-UHFFFAOYSA-N 2 2 369.473 0.162 20 0 FCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCc4[nH+]ccn4CC3)CC2)CC1 ZINC001179013018 1206370816 /nfs/dbraw/zinc/37/08/16/1206370816.db2.gz WZKXWZSQBHFNGK-UHFFFAOYSA-N 2 2 373.501 0.991 20 0 FCADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001179190961 1206377983 /nfs/dbraw/zinc/37/79/83/1206377983.db2.gz DSKJKVPBNDWFTI-MHORFTMASA-N 2 2 369.506 0.482 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001181874323 1206416571 /nfs/dbraw/zinc/41/65/71/1206416571.db2.gz KWRUBFLUQOFDNI-HOPMXRPOSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001181874323 1206416572 /nfs/dbraw/zinc/41/65/72/1206416572.db2.gz KWRUBFLUQOFDNI-HOPMXRPOSA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]Cc1ncnn1C ZINC001182669240 1206440925 /nfs/dbraw/zinc/44/09/25/1206440925.db2.gz JOPWNZNYVPUAMZ-DEXNDLTESA-N 2 2 371.489 0.927 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182838937 1206444870 /nfs/dbraw/zinc/44/48/70/1206444870.db2.gz WIDMQRURAREPMM-BXWFABGCSA-N 2 2 367.490 0.724 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182838937 1206444872 /nfs/dbraw/zinc/44/48/72/1206444872.db2.gz WIDMQRURAREPMM-BXWFABGCSA-N 2 2 367.490 0.724 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001184058446 1206464161 /nfs/dbraw/zinc/46/41/61/1206464161.db2.gz VPARPSJWECYPNQ-QFBILLFUSA-N 2 2 369.506 0.973 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001185250734 1206476879 /nfs/dbraw/zinc/47/68/79/1206476879.db2.gz IZFAIGVVDBXQBQ-OAHLLOKOSA-N 2 2 363.510 0.096 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001185250734 1206476882 /nfs/dbraw/zinc/47/68/82/1206476882.db2.gz IZFAIGVVDBXQBQ-OAHLLOKOSA-N 2 2 363.510 0.096 20 0 FCADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250734 1206476885 /nfs/dbraw/zinc/47/68/85/1206476885.db2.gz IZFAIGVVDBXQBQ-OAHLLOKOSA-N 2 2 363.510 0.096 20 0 FCADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250734 1206476886 /nfs/dbraw/zinc/47/68/86/1206476886.db2.gz IZFAIGVVDBXQBQ-OAHLLOKOSA-N 2 2 363.510 0.096 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001185250732 1206477055 /nfs/dbraw/zinc/47/70/55/1206477055.db2.gz IZFAIGVVDBXQBQ-HNNXBMFYSA-N 2 2 363.510 0.096 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001185250732 1206477057 /nfs/dbraw/zinc/47/70/57/1206477057.db2.gz IZFAIGVVDBXQBQ-HNNXBMFYSA-N 2 2 363.510 0.096 20 0 FCADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250732 1206477060 /nfs/dbraw/zinc/47/70/60/1206477060.db2.gz IZFAIGVVDBXQBQ-HNNXBMFYSA-N 2 2 363.510 0.096 20 0 FCADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250732 1206477061 /nfs/dbraw/zinc/47/70/61/1206477061.db2.gz IZFAIGVVDBXQBQ-HNNXBMFYSA-N 2 2 363.510 0.096 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001185749203 1206485333 /nfs/dbraw/zinc/48/53/33/1206485333.db2.gz DPXXBLFWECWSOE-BZUAXINKSA-N 2 2 359.474 0.773 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186898679 1206508941 /nfs/dbraw/zinc/50/89/41/1206508941.db2.gz SYISXGZTLRMNQL-KRWDZBQOSA-N 2 2 360.458 0.368 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186898679 1206508944 /nfs/dbraw/zinc/50/89/44/1206508944.db2.gz SYISXGZTLRMNQL-KRWDZBQOSA-N 2 2 360.458 0.368 20 0 FCADLP O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220622409 1224972589 /nfs/dbraw/zinc/97/25/89/1224972589.db2.gz NAWUPOQKZQNKRM-VBKZILBWSA-N 2 2 366.469 0.666 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321943 1207442887 /nfs/dbraw/zinc/44/28/87/1207442887.db2.gz BBNIXBWMQFJBLH-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321943 1207442890 /nfs/dbraw/zinc/44/28/90/1207442890.db2.gz BBNIXBWMQFJBLH-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321943 1207442893 /nfs/dbraw/zinc/44/28/93/1207442893.db2.gz BBNIXBWMQFJBLH-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321943 1207442896 /nfs/dbraw/zinc/44/28/96/1207442896.db2.gz BBNIXBWMQFJBLH-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP CN(CCC[N@H+](C)CC(=O)N(C)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560676 1207451291 /nfs/dbraw/zinc/45/12/91/1207451291.db2.gz PMTCXXUTQBNYMA-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCC[N@@H+](C)CC(=O)N(C)C1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560676 1207451295 /nfs/dbraw/zinc/45/12/95/1207451295.db2.gz PMTCXXUTQBNYMA-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000867043177 1207469279 /nfs/dbraw/zinc/46/92/79/1207469279.db2.gz HKHLZDULOXAJMZ-ZDMMHOJSSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000867043177 1207469281 /nfs/dbraw/zinc/46/92/81/1207469281.db2.gz HKHLZDULOXAJMZ-ZDMMHOJSSA-N 2 2 373.497 0.874 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818293 1207482844 /nfs/dbraw/zinc/48/28/44/1207482844.db2.gz CCPMXFPYUWIKSY-OKZBNKHCSA-N 2 2 362.518 0.872 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818293 1207482850 /nfs/dbraw/zinc/48/28/50/1207482850.db2.gz CCPMXFPYUWIKSY-OKZBNKHCSA-N 2 2 362.518 0.872 20 0 FCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818293 1207482853 /nfs/dbraw/zinc/48/28/53/1207482853.db2.gz CCPMXFPYUWIKSY-OKZBNKHCSA-N 2 2 362.518 0.872 20 0 FCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818293 1207482856 /nfs/dbraw/zinc/48/28/56/1207482856.db2.gz CCPMXFPYUWIKSY-OKZBNKHCSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667298 1225000154 /nfs/dbraw/zinc/00/01/54/1225000154.db2.gz BSCMXGOQOIYJNN-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667298 1225000162 /nfs/dbraw/zinc/00/01/62/1225000162.db2.gz BSCMXGOQOIYJNN-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1)C1CC1 ZINC001189092810 1207505896 /nfs/dbraw/zinc/50/58/96/1207505896.db2.gz GHGWOGZUZHNQLX-YQQAZPJKSA-N 2 2 371.485 0.889 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1)C1CC1 ZINC001189092810 1207505898 /nfs/dbraw/zinc/50/58/98/1207505898.db2.gz GHGWOGZUZHNQLX-YQQAZPJKSA-N 2 2 371.485 0.889 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667428 1225000917 /nfs/dbraw/zinc/00/09/17/1225000917.db2.gz IRSNNNDLPNIKFG-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667428 1225000926 /nfs/dbraw/zinc/00/09/26/1225000926.db2.gz IRSNNNDLPNIKFG-SJORKVTESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425907 1207547767 /nfs/dbraw/zinc/54/77/67/1207547767.db2.gz SMKUDQSKIXIRMQ-DLBZAZTESA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220673993 1225006616 /nfs/dbraw/zinc/00/66/16/1225006616.db2.gz FUOLJPVPCODKJP-XYPHTWIQSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220673993 1225006625 /nfs/dbraw/zinc/00/66/25/1225006625.db2.gz FUOLJPVPCODKJP-XYPHTWIQSA-N 2 2 359.430 0.203 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21 ZINC001189786991 1207599653 /nfs/dbraw/zinc/59/96/53/1207599653.db2.gz JGZTUTWZDXHZKT-FUHWJXTLSA-N 2 2 371.489 0.957 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCCCCn3cncn3)C[C@H]21 ZINC001189786991 1207599668 /nfs/dbraw/zinc/59/96/68/1207599668.db2.gz JGZTUTWZDXHZKT-FUHWJXTLSA-N 2 2 371.489 0.957 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786587 1207600135 /nfs/dbraw/zinc/60/01/35/1207600135.db2.gz FVYPZRZRRHNYCU-YQQAZPJKSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786587 1207600137 /nfs/dbraw/zinc/60/01/37/1207600137.db2.gz FVYPZRZRRHNYCU-YQQAZPJKSA-N 2 2 361.490 0.752 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189788094 1207602150 /nfs/dbraw/zinc/60/21/50/1207602150.db2.gz SRIWMQPTXWTDGX-YQQAZPJKSA-N 2 2 361.490 0.800 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189788094 1207602153 /nfs/dbraw/zinc/60/21/53/1207602153.db2.gz SRIWMQPTXWTDGX-YQQAZPJKSA-N 2 2 361.490 0.800 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001189788552 1207603018 /nfs/dbraw/zinc/60/30/18/1207603018.db2.gz YNUKDOOKOGUVHX-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001189788552 1207603029 /nfs/dbraw/zinc/60/30/29/1207603029.db2.gz YNUKDOOKOGUVHX-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001189941892 1207627732 /nfs/dbraw/zinc/62/77/32/1207627732.db2.gz FXOSRRQMYJLWCG-XYJFISCASA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001189941892 1207627737 /nfs/dbraw/zinc/62/77/37/1207627737.db2.gz FXOSRRQMYJLWCG-XYJFISCASA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001189953095 1207629852 /nfs/dbraw/zinc/62/98/52/1207629852.db2.gz JXZNKRSXGKAZRW-YQQAZPJKSA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001189953095 1207629856 /nfs/dbraw/zinc/62/98/56/1207629856.db2.gz JXZNKRSXGKAZRW-YQQAZPJKSA-N 2 2 361.490 0.954 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681956 1225009199 /nfs/dbraw/zinc/00/91/99/1225009199.db2.gz SGVTXOAPGFAANP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681956 1225009212 /nfs/dbraw/zinc/00/92/12/1225009212.db2.gz SGVTXOAPGFAANP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681956 1225009225 /nfs/dbraw/zinc/00/92/25/1225009225.db2.gz SGVTXOAPGFAANP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681956 1225009235 /nfs/dbraw/zinc/00/92/35/1225009235.db2.gz SGVTXOAPGFAANP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189992729 1207635050 /nfs/dbraw/zinc/63/50/50/1207635050.db2.gz RIKPLOICLVFKRE-GOEBONIOSA-N 2 2 361.490 0.800 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001189992729 1207635053 /nfs/dbraw/zinc/63/50/53/1207635053.db2.gz RIKPLOICLVFKRE-GOEBONIOSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001190178606 1207659117 /nfs/dbraw/zinc/65/91/17/1207659117.db2.gz ZLYVBQQJIJWXJQ-JKSUJKDBSA-N 2 2 361.490 0.887 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001190178606 1207659126 /nfs/dbraw/zinc/65/91/26/1207659126.db2.gz ZLYVBQQJIJWXJQ-JKSUJKDBSA-N 2 2 361.490 0.887 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCNC(=O)C2CC2)C1 ZINC001192426249 1207830715 /nfs/dbraw/zinc/83/07/15/1207830715.db2.gz OPZDSZZHZORYEZ-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001192426249 1207830717 /nfs/dbraw/zinc/83/07/17/1207830717.db2.gz OPZDSZZHZORYEZ-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001193095035 1207859854 /nfs/dbraw/zinc/85/98/54/1207859854.db2.gz FFXDQMJKLDBVPT-NUEKZKHPSA-N 2 2 360.462 0.492 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001193095035 1207859856 /nfs/dbraw/zinc/85/98/56/1207859856.db2.gz FFXDQMJKLDBVPT-NUEKZKHPSA-N 2 2 360.462 0.492 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782106 1207888951 /nfs/dbraw/zinc/88/89/51/1207888951.db2.gz SGQLYDKQKHHYAJ-NUJGCVRESA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782106 1207888953 /nfs/dbraw/zinc/88/89/53/1207888953.db2.gz SGQLYDKQKHHYAJ-NUJGCVRESA-N 2 2 368.522 0.137 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791894 1207889480 /nfs/dbraw/zinc/88/94/80/1207889480.db2.gz SMMRVVLZBNXQBO-KZNAEPCWSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791894 1207889481 /nfs/dbraw/zinc/88/94/81/1207889481.db2.gz SMMRVVLZBNXQBO-KZNAEPCWSA-N 2 2 363.506 0.774 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O ZINC001193756987 1207890312 /nfs/dbraw/zinc/89/03/12/1207890312.db2.gz WVCUORASFRHQKR-FGTMMUONSA-N 2 2 363.506 0.555 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O ZINC001193756987 1207890314 /nfs/dbraw/zinc/89/03/14/1207890314.db2.gz WVCUORASFRHQKR-FGTMMUONSA-N 2 2 363.506 0.555 20 0 FCADLP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756506 1207890333 /nfs/dbraw/zinc/89/03/33/1207890333.db2.gz SEMXPEUZRXKKST-GUDVDZBRSA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756506 1207890334 /nfs/dbraw/zinc/89/03/34/1207890334.db2.gz SEMXPEUZRXKKST-GUDVDZBRSA-N 2 2 371.485 0.483 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C(C)C ZINC001193821547 1207892389 /nfs/dbraw/zinc/89/23/89/1207892389.db2.gz NJRDOWQCCYHGRQ-IAGOWNOFSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)C(C)C ZINC001193821547 1207892391 /nfs/dbraw/zinc/89/23/91/1207892391.db2.gz NJRDOWQCCYHGRQ-IAGOWNOFSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)C(C)C ZINC001193821547 1207892393 /nfs/dbraw/zinc/89/23/93/1207892393.db2.gz NJRDOWQCCYHGRQ-IAGOWNOFSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)C(C)C ZINC001193821547 1207892394 /nfs/dbraw/zinc/89/23/94/1207892394.db2.gz NJRDOWQCCYHGRQ-IAGOWNOFSA-N 2 2 368.522 0.277 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193953261 1207900181 /nfs/dbraw/zinc/90/01/81/1207900181.db2.gz IISRDEFMUMIIPS-NUJGCVRESA-N 2 2 370.538 0.383 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193953261 1207900184 /nfs/dbraw/zinc/90/01/84/1207900184.db2.gz IISRDEFMUMIIPS-NUJGCVRESA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)n1cc[nH+]c1 ZINC001193998205 1207909656 /nfs/dbraw/zinc/90/96/56/1207909656.db2.gz PZXLHYJBRCSUPO-IXDOHACOSA-N 2 2 360.462 0.528 20 0 FCADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)n1cc[nH+]c1 ZINC001193998205 1207909659 /nfs/dbraw/zinc/90/96/59/1207909659.db2.gz PZXLHYJBRCSUPO-IXDOHACOSA-N 2 2 360.462 0.528 20 0 FCADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)n1cc[nH+]c1 ZINC001193998201 1207909966 /nfs/dbraw/zinc/90/99/66/1207909966.db2.gz PZXLHYJBRCSUPO-BRWVUGGUSA-N 2 2 360.462 0.528 20 0 FCADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)n1cc[nH+]c1 ZINC001193998201 1207909967 /nfs/dbraw/zinc/90/99/67/1207909967.db2.gz PZXLHYJBRCSUPO-BRWVUGGUSA-N 2 2 360.462 0.528 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001194244753 1207926819 /nfs/dbraw/zinc/92/68/19/1207926819.db2.gz YRVNXNHCIZEOII-HZPDHXFCSA-N 2 2 370.538 0.523 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001194244753 1207926824 /nfs/dbraw/zinc/92/68/24/1207926824.db2.gz YRVNXNHCIZEOII-HZPDHXFCSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001194244753 1207926829 /nfs/dbraw/zinc/92/68/29/1207926829.db2.gz YRVNXNHCIZEOII-HZPDHXFCSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001194244753 1207926834 /nfs/dbraw/zinc/92/68/34/1207926834.db2.gz YRVNXNHCIZEOII-HZPDHXFCSA-N 2 2 370.538 0.523 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2O)ccc2c[nH+]cn21 ZINC001194308150 1207931737 /nfs/dbraw/zinc/93/17/37/1207931737.db2.gz IMPBOYMNXHLWLH-HUUCEWRRSA-N 2 2 368.384 0.699 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2O)ccc2c[nH+]cn21 ZINC001194308150 1207931741 /nfs/dbraw/zinc/93/17/41/1207931741.db2.gz IMPBOYMNXHLWLH-HUUCEWRRSA-N 2 2 368.384 0.699 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CC1 ZINC001194321150 1207932323 /nfs/dbraw/zinc/93/23/23/1207932323.db2.gz KMTXFOJBQDHLQX-ZACQAIPSSA-N 2 2 366.462 0.326 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CC1 ZINC001194321150 1207932326 /nfs/dbraw/zinc/93/23/26/1207932326.db2.gz KMTXFOJBQDHLQX-ZACQAIPSSA-N 2 2 366.462 0.326 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982665 1207986242 /nfs/dbraw/zinc/98/62/42/1207986242.db2.gz OLPTUMLOQUQKIL-IAGOWNOFSA-N 2 2 363.506 0.594 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)ncn1 ZINC001195006938 1207989147 /nfs/dbraw/zinc/98/91/47/1207989147.db2.gz UBXFWAUINQPCFJ-IAGOWNOFSA-N 2 2 361.490 0.711 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)ncn1 ZINC001195006938 1207989150 /nfs/dbraw/zinc/98/91/50/1207989150.db2.gz UBXFWAUINQPCFJ-IAGOWNOFSA-N 2 2 361.490 0.711 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000101647045 1207997959 /nfs/dbraw/zinc/99/79/59/1207997959.db2.gz PKWQGSQDSQIIEK-UHFFFAOYSA-N 2 2 357.462 0.700 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821845 1208042151 /nfs/dbraw/zinc/04/21/51/1208042151.db2.gz POSDZJSZANQGTQ-FVQBIDKESA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821845 1208042153 /nfs/dbraw/zinc/04/21/53/1208042153.db2.gz POSDZJSZANQGTQ-FVQBIDKESA-N 2 2 368.522 0.183 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893533 1208043762 /nfs/dbraw/zinc/04/37/62/1208043762.db2.gz HSQLWLHKYGKNNA-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893533 1208043764 /nfs/dbraw/zinc/04/37/64/1208043764.db2.gz HSQLWLHKYGKNNA-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893533 1208043766 /nfs/dbraw/zinc/04/37/66/1208043766.db2.gz HSQLWLHKYGKNNA-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893533 1208043768 /nfs/dbraw/zinc/04/37/68/1208043768.db2.gz HSQLWLHKYGKNNA-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O)[NH+](CC)CC ZINC001196115504 1208058551 /nfs/dbraw/zinc/05/85/51/1208058551.db2.gz PFFOOKQXDIGROG-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O)[NH+](CC)CC ZINC001196115504 1208058554 /nfs/dbraw/zinc/05/85/54/1208058554.db2.gz PFFOOKQXDIGROG-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1O)C2 ZINC001196169256 1208063369 /nfs/dbraw/zinc/06/33/69/1208063369.db2.gz PNOKWOGTDHFFKW-KBAYOESNSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O)C2 ZINC001196169256 1208063370 /nfs/dbraw/zinc/06/33/70/1208063370.db2.gz PNOKWOGTDHFFKW-KBAYOESNSA-N 2 2 364.490 0.588 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O)[NH+](C)C ZINC001196252075 1208069335 /nfs/dbraw/zinc/06/93/35/1208069335.db2.gz RBDSRFFGXFHACD-CEXWTWQISA-N 2 2 371.485 0.874 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O)[NH+](C)C ZINC001196252075 1208069336 /nfs/dbraw/zinc/06/93/36/1208069336.db2.gz RBDSRFFGXFHACD-CEXWTWQISA-N 2 2 371.485 0.874 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001196267966 1208069798 /nfs/dbraw/zinc/06/97/98/1208069798.db2.gz MJMGEPCJYZQCBP-IXDOHACOSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268323 1208070012 /nfs/dbraw/zinc/07/00/12/1208070012.db2.gz GBIHFNXLUCWQIL-BRWVUGGUSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268323 1208070013 /nfs/dbraw/zinc/07/00/13/1208070013.db2.gz GBIHFNXLUCWQIL-BRWVUGGUSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268323 1208070015 /nfs/dbraw/zinc/07/00/15/1208070015.db2.gz GBIHFNXLUCWQIL-BRWVUGGUSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268323 1208070017 /nfs/dbraw/zinc/07/00/17/1208070017.db2.gz GBIHFNXLUCWQIL-BRWVUGGUSA-N 2 2 368.522 0.495 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307633 1208070852 /nfs/dbraw/zinc/07/08/52/1208070852.db2.gz QYPKNFVRXVDOGT-FVQBIDKESA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196307633 1208070855 /nfs/dbraw/zinc/07/08/55/1208070855.db2.gz QYPKNFVRXVDOGT-FVQBIDKESA-N 2 2 366.462 0.145 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)C2)on1 ZINC001196300087 1208073829 /nfs/dbraw/zinc/07/38/29/1208073829.db2.gz RRUVAZDMZJDNEE-DJIMGWMZSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)C2)on1 ZINC001196300087 1208073832 /nfs/dbraw/zinc/07/38/32/1208073832.db2.gz RRUVAZDMZJDNEE-DJIMGWMZSA-N 2 2 366.462 0.145 20 0 FCADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953266 1208124910 /nfs/dbraw/zinc/12/49/10/1208124910.db2.gz ASPIIZBBWPEHRA-ZTFGCOKTSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953266 1208124911 /nfs/dbraw/zinc/12/49/11/1208124911.db2.gz ASPIIZBBWPEHRA-ZTFGCOKTSA-N 2 2 365.449 0.770 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000722 1208127816 /nfs/dbraw/zinc/12/78/16/1208127816.db2.gz ITPFRQNNZKRESZ-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000722 1208127818 /nfs/dbraw/zinc/12/78/18/1208127818.db2.gz ITPFRQNNZKRESZ-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000722 1208127824 /nfs/dbraw/zinc/12/78/24/1208127824.db2.gz ITPFRQNNZKRESZ-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197049596 1208130985 /nfs/dbraw/zinc/13/09/85/1208130985.db2.gz ODAFUYABHRRZNC-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197049596 1208130987 /nfs/dbraw/zinc/13/09/87/1208130987.db2.gz ODAFUYABHRRZNC-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001198004164 1208210762 /nfs/dbraw/zinc/21/07/62/1208210762.db2.gz XHFSVOPHYCUWFT-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001198004164 1208210764 /nfs/dbraw/zinc/21/07/64/1208210764.db2.gz XHFSVOPHYCUWFT-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001198004164 1208210766 /nfs/dbraw/zinc/21/07/66/1208210766.db2.gz XHFSVOPHYCUWFT-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001198004164 1208210769 /nfs/dbraw/zinc/21/07/69/1208210769.db2.gz XHFSVOPHYCUWFT-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@H]1O ZINC001198003958 1208210859 /nfs/dbraw/zinc/21/08/59/1208210859.db2.gz PFKDVASUHBJKPQ-IAGOWNOFSA-N 2 2 364.490 0.874 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@H]1O ZINC001198003958 1208210862 /nfs/dbraw/zinc/21/08/62/1208210862.db2.gz PFKDVASUHBJKPQ-IAGOWNOFSA-N 2 2 364.490 0.874 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OCC)n2)C[C@H]1O ZINC001198003958 1208210864 /nfs/dbraw/zinc/21/08/64/1208210864.db2.gz PFKDVASUHBJKPQ-IAGOWNOFSA-N 2 2 364.490 0.874 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OCC)n2)C[C@H]1O ZINC001198003958 1208210867 /nfs/dbraw/zinc/21/08/67/1208210867.db2.gz PFKDVASUHBJKPQ-IAGOWNOFSA-N 2 2 364.490 0.874 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001198003968 1208210982 /nfs/dbraw/zinc/21/09/82/1208210982.db2.gz PNABULVSMOKWIP-IAGOWNOFSA-N 2 2 362.474 0.179 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001198003968 1208210985 /nfs/dbraw/zinc/21/09/85/1208210985.db2.gz PNABULVSMOKWIP-IAGOWNOFSA-N 2 2 362.474 0.179 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001198003968 1208210989 /nfs/dbraw/zinc/21/09/89/1208210989.db2.gz PNABULVSMOKWIP-IAGOWNOFSA-N 2 2 362.474 0.179 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001198003968 1208210994 /nfs/dbraw/zinc/21/09/94/1208210994.db2.gz PNABULVSMOKWIP-IAGOWNOFSA-N 2 2 362.474 0.179 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039101 1208217268 /nfs/dbraw/zinc/21/72/68/1208217268.db2.gz ZHGYHCXIMQMSAD-BZUAXINKSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039101 1208217269 /nfs/dbraw/zinc/21/72/69/1208217269.db2.gz ZHGYHCXIMQMSAD-BZUAXINKSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039101 1208217271 /nfs/dbraw/zinc/21/72/71/1208217271.db2.gz ZHGYHCXIMQMSAD-BZUAXINKSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039101 1208217273 /nfs/dbraw/zinc/21/72/73/1208217273.db2.gz ZHGYHCXIMQMSAD-BZUAXINKSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198679916 1208282664 /nfs/dbraw/zinc/28/26/64/1208282664.db2.gz LJHKWEJWUPOZRR-NWANDNLSSA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198679916 1208282668 /nfs/dbraw/zinc/28/26/68/1208282668.db2.gz LJHKWEJWUPOZRR-NWANDNLSSA-N 2 2 365.478 0.046 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001198908431 1208305312 /nfs/dbraw/zinc/30/53/12/1208305312.db2.gz FXUVXQKYSYTZQB-BZUAXINKSA-N 2 2 358.442 0.972 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199111854 1208321851 /nfs/dbraw/zinc/32/18/51/1208321851.db2.gz PFFDXRJNYLMNAA-IAGOWNOFSA-N 2 2 362.474 0.048 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)c1 ZINC001199111854 1208321853 /nfs/dbraw/zinc/32/18/53/1208321853.db2.gz PFFDXRJNYLMNAA-IAGOWNOFSA-N 2 2 362.474 0.048 20 0 FCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001199111854 1208321856 /nfs/dbraw/zinc/32/18/56/1208321856.db2.gz PFFDXRJNYLMNAA-IAGOWNOFSA-N 2 2 362.474 0.048 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)C1=NNC(=O)CC1 ZINC001273824126 1208397213 /nfs/dbraw/zinc/39/72/13/1208397213.db2.gz KWXYZWBSBPIHCP-MSOLQXFVSA-N 2 2 358.446 0.700 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220769040 1225062109 /nfs/dbraw/zinc/06/21/09/1225062109.db2.gz HDRULSNFVPOJIM-YEWWUXTCSA-N 2 2 364.446 0.169 20 0 FCADLP COCCOC[N@@H+]1CCC2(CN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001273848880 1208432580 /nfs/dbraw/zinc/43/25/80/1208432580.db2.gz VINKPWYPHIZRKX-UHFFFAOYSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@H+]1CCC2(CN(C(=O)CN3CC[NH+](C(C)C)CC3)C2)C1 ZINC001273848880 1208432581 /nfs/dbraw/zinc/43/25/81/1208432581.db2.gz VINKPWYPHIZRKX-UHFFFAOYSA-N 2 2 368.522 0.167 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C[NH2+]C2 ZINC001220786312 1225072199 /nfs/dbraw/zinc/07/21/99/1225072199.db2.gz USSMLBBGTLWJAL-LZWOXQAQSA-N 2 2 355.446 0.347 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C[NH2+]C2 ZINC001220786313 1225073274 /nfs/dbraw/zinc/07/32/74/1225073274.db2.gz USSMLBBGTLWJAL-SQWLQELKSA-N 2 2 355.446 0.347 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)CC1 ZINC001220807256 1225082572 /nfs/dbraw/zinc/08/25/72/1225082572.db2.gz SFEWQTUOSLIMNV-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)CC1 ZINC001220807256 1225082580 /nfs/dbraw/zinc/08/25/80/1225082580.db2.gz SFEWQTUOSLIMNV-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821620 1225086596 /nfs/dbraw/zinc/08/65/96/1225086596.db2.gz CCEWVBSNUJQVCC-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821620 1225086605 /nfs/dbraw/zinc/08/66/05/1225086605.db2.gz CCEWVBSNUJQVCC-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821620 1225086609 /nfs/dbraw/zinc/08/66/09/1225086609.db2.gz CCEWVBSNUJQVCC-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821620 1225086612 /nfs/dbraw/zinc/08/66/12/1225086612.db2.gz CCEWVBSNUJQVCC-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001489272827 1208750371 /nfs/dbraw/zinc/75/03/71/1208750371.db2.gz TZPIUOZYRAWEQT-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816887 1225087077 /nfs/dbraw/zinc/08/70/77/1225087077.db2.gz FWCNABZRTPITNN-ZACQAIPSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816887 1225087086 /nfs/dbraw/zinc/08/70/86/1225087086.db2.gz FWCNABZRTPITNN-ZACQAIPSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816887 1225087093 /nfs/dbraw/zinc/08/70/93/1225087093.db2.gz FWCNABZRTPITNN-ZACQAIPSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220816887 1225087103 /nfs/dbraw/zinc/08/71/03/1225087103.db2.gz FWCNABZRTPITNN-ZACQAIPSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816825 1225087457 /nfs/dbraw/zinc/08/74/57/1225087457.db2.gz CGXZDHFIXWOVRD-UAGQMJEPSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816825 1225087463 /nfs/dbraw/zinc/08/74/63/1225087463.db2.gz CGXZDHFIXWOVRD-UAGQMJEPSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816825 1225087471 /nfs/dbraw/zinc/08/74/71/1225087471.db2.gz CGXZDHFIXWOVRD-UAGQMJEPSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220816825 1225087478 /nfs/dbraw/zinc/08/74/78/1225087478.db2.gz CGXZDHFIXWOVRD-UAGQMJEPSA-N 2 2 370.538 0.573 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001489668252 1209080278 /nfs/dbraw/zinc/08/02/78/1209080278.db2.gz RNQZJTGOJCXUGI-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP COC(=O)NC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000852128066 1209532758 /nfs/dbraw/zinc/53/27/58/1209532758.db2.gz FEUPRKAOUBXEMN-HNNXBMFYSA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000852128066 1209532759 /nfs/dbraw/zinc/53/27/59/1209532759.db2.gz FEUPRKAOUBXEMN-HNNXBMFYSA-N 2 2 367.494 0.685 20 0 FCADLP O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220923799 1225143447 /nfs/dbraw/zinc/14/34/47/1225143447.db2.gz KIHVNDOGNGHJSR-RYQLBKOJSA-N 2 2 374.460 0.744 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H](N2CCOC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000852433007 1209548534 /nfs/dbraw/zinc/54/85/34/1209548534.db2.gz NFVJYUAOYXGVBC-INIZCTEOSA-N 2 2 373.457 0.647 20 0 FCADLP O=C(CC[N@H+]1CC[C@H](N2CCOC2=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000852433007 1209548538 /nfs/dbraw/zinc/54/85/38/1209548538.db2.gz NFVJYUAOYXGVBC-INIZCTEOSA-N 2 2 373.457 0.647 20 0 FCADLP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220974613 1225169145 /nfs/dbraw/zinc/16/91/45/1225169145.db2.gz FBTRBFXJMGFHPF-RYQLBKOJSA-N 3 2 360.477 0.804 20 0 FCADLP COc1ccnc(C2(CNC(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)CCOCC2)c1 ZINC001220990322 1225177121 /nfs/dbraw/zinc/17/71/21/1225177121.db2.gz HMEXCQQXDLVBPI-LIRRHRJNSA-N 2 2 360.458 0.206 20 0 FCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000870892614 1210121760 /nfs/dbraw/zinc/12/17/60/1210121760.db2.gz UNLHDLBZXSDXSV-WKILWMFISA-N 2 2 374.489 0.479 20 0 FCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000870892614 1210121765 /nfs/dbraw/zinc/12/17/65/1210121765.db2.gz UNLHDLBZXSDXSV-WKILWMFISA-N 2 2 374.489 0.479 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000874243846 1210301529 /nfs/dbraw/zinc/30/15/29/1210301529.db2.gz VHWLHMDSYITEJT-UHFFFAOYSA-N 2 2 363.393 0.755 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062234 1225204093 /nfs/dbraw/zinc/20/40/93/1225204093.db2.gz MTZKBGKKZVRPHW-BBWFWOEESA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062234 1225204098 /nfs/dbraw/zinc/20/40/98/1225204098.db2.gz MTZKBGKKZVRPHW-BBWFWOEESA-N 2 2 368.522 0.184 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000876644902 1210421863 /nfs/dbraw/zinc/42/18/63/1210421863.db2.gz DUOZGSZANHUBRC-KRWDZBQOSA-N 2 2 364.494 0.347 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221079171 1225213328 /nfs/dbraw/zinc/21/33/28/1225213328.db2.gz LXZVXFONQHQHDH-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221079171 1225213330 /nfs/dbraw/zinc/21/33/30/1225213330.db2.gz LXZVXFONQHQHDH-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091161 1225218166 /nfs/dbraw/zinc/21/81/66/1225218166.db2.gz DNWLXCFISDVVIL-ZACQAIPSSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091161 1225218171 /nfs/dbraw/zinc/21/81/71/1225218171.db2.gz DNWLXCFISDVVIL-ZACQAIPSSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091161 1225218174 /nfs/dbraw/zinc/21/81/74/1225218174.db2.gz DNWLXCFISDVVIL-ZACQAIPSSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221091161 1225218178 /nfs/dbraw/zinc/21/81/78/1225218178.db2.gz DNWLXCFISDVVIL-ZACQAIPSSA-N 2 2 370.538 0.522 20 0 FCADLP CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]2C1 ZINC000880310901 1210525485 /nfs/dbraw/zinc/52/54/85/1210525485.db2.gz OAEPUAVPQVYWBL-RYQLBKOJSA-N 2 2 371.485 0.529 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O)[NH+]1CCCCC1 ZINC001221096646 1225222509 /nfs/dbraw/zinc/22/25/09/1225222509.db2.gz WDCRQMUFQIFSDV-FGTMMUONSA-N 2 2 363.506 0.592 20 0 FCADLP C[C@@H]([NH3+])c1cn(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn1 ZINC000881305749 1210582512 /nfs/dbraw/zinc/58/25/12/1210582512.db2.gz CVDRWOGLEJGTSD-CQSZACIVSA-N 2 2 370.457 0.577 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNc2ccnc(C(=O)N3CCOCC3)c2)CC1 ZINC000882055210 1210611379 /nfs/dbraw/zinc/61/13/79/1210611379.db2.gz HJPSHWXMUMLEHL-UHFFFAOYSA-N 2 2 361.490 0.992 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883347004 1210663599 /nfs/dbraw/zinc/66/35/99/1210663599.db2.gz KHBLYPSLWYBIEZ-IAGOWNOFSA-N 2 2 360.506 0.938 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416823 1210666259 /nfs/dbraw/zinc/66/62/59/1210666259.db2.gz GPLDPIRDVBVJCI-CVEARBPZSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416823 1210666262 /nfs/dbraw/zinc/66/62/62/1210666262.db2.gz GPLDPIRDVBVJCI-CVEARBPZSA-N 2 2 363.506 0.465 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH2+]CCC12CCC2 ZINC000883544160 1210671744 /nfs/dbraw/zinc/67/17/44/1210671744.db2.gz GOORYNKZTBUUEV-UHFFFAOYSA-N 2 2 362.478 0.965 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000883647611 1210679773 /nfs/dbraw/zinc/67/97/73/1210679773.db2.gz ZBZBZRABPVWXQW-QGZVFWFLSA-N 2 2 360.458 0.332 20 0 FCADLP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000884176936 1210719519 /nfs/dbraw/zinc/71/95/19/1210719519.db2.gz VPAOXVHIURMFNM-UHFFFAOYSA-N 2 2 352.442 0.849 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000884694663 1210783070 /nfs/dbraw/zinc/78/30/70/1210783070.db2.gz SPACBGLXGOQINJ-IAGOWNOFSA-N 2 2 355.442 0.999 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000884708731 1210785058 /nfs/dbraw/zinc/78/50/58/1210785058.db2.gz JVUPQZYHPQIKHI-INIZCTEOSA-N 2 2 362.474 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000884708731 1210785062 /nfs/dbraw/zinc/78/50/62/1210785062.db2.gz JVUPQZYHPQIKHI-INIZCTEOSA-N 2 2 362.474 0.166 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[NH2+]1 ZINC000884718694 1210788041 /nfs/dbraw/zinc/78/80/41/1210788041.db2.gz NAFPMWIBRNGPBW-DJIMGWMZSA-N 2 2 355.442 0.997 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)[NH2+]C1 ZINC000884876429 1210802248 /nfs/dbraw/zinc/80/22/48/1210802248.db2.gz BDXIEROUUDHINO-JKSUJKDBSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878827 1210802679 /nfs/dbraw/zinc/80/26/79/1210802679.db2.gz KXUWROAVNDUTFP-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C[C@H](C)O1 ZINC000884878827 1210802681 /nfs/dbraw/zinc/80/26/81/1210802681.db2.gz KXUWROAVNDUTFP-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000884968919 1210805757 /nfs/dbraw/zinc/80/57/57/1210805757.db2.gz XICUNMXYCNIPOW-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc1 ZINC000885020832 1210809168 /nfs/dbraw/zinc/80/91/68/1210809168.db2.gz PANZTZNOFSDYSV-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc1 ZINC000885020832 1210809170 /nfs/dbraw/zinc/80/91/70/1210809170.db2.gz PANZTZNOFSDYSV-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000885020461 1210809311 /nfs/dbraw/zinc/80/93/11/1210809311.db2.gz KKDIXCASGMCRKI-GOSISDBHSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000885020461 1210809315 /nfs/dbraw/zinc/80/93/15/1210809315.db2.gz KKDIXCASGMCRKI-GOSISDBHSA-N 2 2 374.485 0.262 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000885112420 1210811153 /nfs/dbraw/zinc/81/11/53/1210811153.db2.gz QVTKMXDSZWOASN-UHFFFAOYSA-N 2 2 355.442 0.622 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885227705 1210816237 /nfs/dbraw/zinc/81/62/37/1210816237.db2.gz LLTLPQHGUDLEJW-IXDOHACOSA-N 2 2 353.426 0.703 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000885227732 1210816353 /nfs/dbraw/zinc/81/63/53/1210816353.db2.gz MHQGPQWCCJNUQN-PVAVHDDUSA-N 2 2 355.442 0.936 20 0 FCADLP COC(=O)c1cncc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000886529113 1210832047 /nfs/dbraw/zinc/83/20/47/1210832047.db2.gz WOCJKGOCRONJKK-MAUKXSAKSA-N 2 2 362.474 0.925 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887080577 1210845938 /nfs/dbraw/zinc/84/59/38/1210845938.db2.gz ANYCUAOLSJYONZ-KXBFYZLASA-N 2 2 359.474 0.728 20 0 FCADLP CCOC(=O)c1cc2n(n1)C[C@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000887119002 1210848703 /nfs/dbraw/zinc/84/87/03/1210848703.db2.gz ZNVGBPDBHRWMKV-AWEZNQCLSA-N 2 2 363.462 0.428 20 0 FCADLP CCOC(=O)c1cc2n(n1)C[C@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000887119002 1210848705 /nfs/dbraw/zinc/84/87/05/1210848705.db2.gz ZNVGBPDBHRWMKV-AWEZNQCLSA-N 2 2 363.462 0.428 20 0 FCADLP CC1(C)CC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000890078611 1210963854 /nfs/dbraw/zinc/96/38/54/1210963854.db2.gz JGUMDXDEAOPCJM-MRXNPFEDSA-N 2 2 366.506 0.015 20 0 FCADLP CC1(C)CC[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000890078611 1210963856 /nfs/dbraw/zinc/96/38/56/1210963856.db2.gz JGUMDXDEAOPCJM-MRXNPFEDSA-N 2 2 366.506 0.015 20 0 FCADLP COC(=O)CCC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275131747 1211176962 /nfs/dbraw/zinc/17/69/62/1211176962.db2.gz DSTPLCFOIAAZRI-SFHVURJKSA-N 2 2 362.430 0.714 20 0 FCADLP COC(=O)CCC[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275131747 1211176963 /nfs/dbraw/zinc/17/69/63/1211176963.db2.gz DSTPLCFOIAAZRI-SFHVURJKSA-N 2 2 362.430 0.714 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccnn3C)C2)C1=O ZINC001275365257 1211221727 /nfs/dbraw/zinc/22/17/27/1211221727.db2.gz LURCLPNOMYYZDX-GOSISDBHSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccnn3C)C2)C1=O ZINC001275365257 1211221730 /nfs/dbraw/zinc/22/17/30/1211221730.db2.gz LURCLPNOMYYZDX-GOSISDBHSA-N 2 2 356.430 0.695 20 0 FCADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275383162 1211227982 /nfs/dbraw/zinc/22/79/82/1211227982.db2.gz NDJWTKKWIXAMBJ-SFHVURJKSA-N 2 2 356.430 0.956 20 0 FCADLP Cc1n[nH]cc1C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275383162 1211227983 /nfs/dbraw/zinc/22/79/83/1211227983.db2.gz NDJWTKKWIXAMBJ-SFHVURJKSA-N 2 2 356.430 0.956 20 0 FCADLP CN1C[C@@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)OCC1=O ZINC001275389260 1211229201 /nfs/dbraw/zinc/22/92/01/1211229201.db2.gz ALGQAABNRJPYDH-HXUWFJFHSA-N 2 2 359.470 0.952 20 0 FCADLP Cc1noc(CN2C[C@@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)OCC2=O)n1 ZINC001275512661 1211253007 /nfs/dbraw/zinc/25/30/07/1211253007.db2.gz UAWMTOQTUZCOMI-SFHVURJKSA-N 2 2 365.478 0.769 20 0 FCADLP Cc1noc(CN2C[C@@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)OCC2=O)n1 ZINC001275512661 1211253011 /nfs/dbraw/zinc/25/30/11/1211253011.db2.gz UAWMTOQTUZCOMI-SFHVURJKSA-N 2 2 365.478 0.769 20 0 FCADLP CCOC(=O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275555683 1211255643 /nfs/dbraw/zinc/25/56/43/1211255643.db2.gz WOBDCLDICSGVQT-LJQANCHMSA-N 2 2 366.506 0.111 20 0 FCADLP CCOC(=O)C[N@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001275555683 1211255653 /nfs/dbraw/zinc/25/56/53/1211255653.db2.gz WOBDCLDICSGVQT-LJQANCHMSA-N 2 2 366.506 0.111 20 0 FCADLP CCOC(=O)C[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275555683 1211255656 /nfs/dbraw/zinc/25/56/56/1211255656.db2.gz WOBDCLDICSGVQT-LJQANCHMSA-N 2 2 366.506 0.111 20 0 FCADLP CCOC(=O)C[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001275555683 1211255659 /nfs/dbraw/zinc/25/56/59/1211255659.db2.gz WOBDCLDICSGVQT-LJQANCHMSA-N 2 2 366.506 0.111 20 0 FCADLP C[NH+]1CCC(C[NH+]2CC3(C2)CN(COC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001275556229 1211256398 /nfs/dbraw/zinc/25/63/98/1211256398.db2.gz JMISKWLBOXWGMA-UHFFFAOYSA-N 2 2 367.490 0.788 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596806 1211261821 /nfs/dbraw/zinc/26/18/21/1211261821.db2.gz XHAXEUOYPUWOEW-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596806 1211261825 /nfs/dbraw/zinc/26/18/25/1211261825.db2.gz XHAXEUOYPUWOEW-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596806 1211261828 /nfs/dbraw/zinc/26/18/28/1211261828.db2.gz XHAXEUOYPUWOEW-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4ncc[nH]4)C3)C2=O)CC1 ZINC001275596806 1211261831 /nfs/dbraw/zinc/26/18/31/1211261831.db2.gz XHAXEUOYPUWOEW-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275731348 1211278017 /nfs/dbraw/zinc/27/80/17/1211278017.db2.gz WSYKMSFSLQMKLC-SFHVURJKSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275731348 1211278019 /nfs/dbraw/zinc/27/80/19/1211278019.db2.gz WSYKMSFSLQMKLC-SFHVURJKSA-N 2 2 358.446 0.429 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](C[C@H]1CCCOC1)C2 ZINC001275743517 1211280347 /nfs/dbraw/zinc/28/03/47/1211280347.db2.gz SJRYXZGEYHKSNE-IEBWSBKVSA-N 2 2 362.474 0.861 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](C[C@H]1CCCOC1)C2 ZINC001275743517 1211280348 /nfs/dbraw/zinc/28/03/48/1211280348.db2.gz SJRYXZGEYHKSNE-IEBWSBKVSA-N 2 2 362.474 0.861 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CC[N@H+](CC1C(=O)N=CNC1=O)C2 ZINC001275895657 1211308615 /nfs/dbraw/zinc/30/86/15/1211308615.db2.gz NDRUHYBJLVVTEB-KRWDZBQOSA-N 2 2 358.402 0.209 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CC[N@@H+](CC1C(=O)N=CNC1=O)C2 ZINC001275895657 1211308617 /nfs/dbraw/zinc/30/86/17/1211308617.db2.gz NDRUHYBJLVVTEB-KRWDZBQOSA-N 2 2 358.402 0.209 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001095447523 1211348579 /nfs/dbraw/zinc/34/85/79/1211348579.db2.gz AIWIUPXMYQZQPN-LTIDMASMSA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001095447523 1211348581 /nfs/dbraw/zinc/34/85/81/1211348581.db2.gz AIWIUPXMYQZQPN-LTIDMASMSA-N 2 2 371.485 0.762 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](Cc3ncccc3O)C2)OCC1=O ZINC001276121465 1211359320 /nfs/dbraw/zinc/35/93/20/1211359320.db2.gz MYMBSAURUMFMPG-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](Cc3ncccc3O)C2)OCC1=O ZINC001276121465 1211359323 /nfs/dbraw/zinc/35/93/23/1211359323.db2.gz MYMBSAURUMFMPG-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1ccc3c(c1)CCCO3)C2 ZINC001276207357 1211381244 /nfs/dbraw/zinc/38/12/44/1211381244.db2.gz KJNRNGQWMROJPQ-UHFFFAOYSA-N 2 2 359.470 0.986 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2Cc2cc3c(cn2)OCCO3)C1=O ZINC001276233286 1211385894 /nfs/dbraw/zinc/38/58/94/1211385894.db2.gz IYLHUADLHAMPLU-LJQANCHMSA-N 2 2 360.458 0.981 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2cc3c(cn2)OCCO3)C1=O ZINC001276233286 1211385898 /nfs/dbraw/zinc/38/58/98/1211385898.db2.gz IYLHUADLHAMPLU-LJQANCHMSA-N 2 2 360.458 0.981 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248963 1211391935 /nfs/dbraw/zinc/39/19/35/1211391935.db2.gz YINNVQSZNSSOHF-RDTXWAMCSA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248963 1211391937 /nfs/dbraw/zinc/39/19/37/1211391937.db2.gz YINNVQSZNSSOHF-RDTXWAMCSA-N 2 2 362.430 0.533 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CN2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC000924468182 1211470546 /nfs/dbraw/zinc/47/05/46/1211470546.db2.gz UMURCPDDLBHSQV-GOSISDBHSA-N 2 2 373.501 0.806 20 0 FCADLP C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1=O ZINC000924463826 1211470613 /nfs/dbraw/zinc/47/06/13/1211470613.db2.gz AFRPOWWGIUHBHX-INIZCTEOSA-N 2 2 373.457 0.056 20 0 FCADLP C[NH+](C)C[C@@H]1NC(=O)N([C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000924614388 1211474952 /nfs/dbraw/zinc/47/49/52/1211474952.db2.gz ZIJKTHCIZFTIMA-SJORKVTESA-N 2 2 360.458 0.412 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000925588347 1211502839 /nfs/dbraw/zinc/50/28/39/1211502839.db2.gz VSZSPWIQXCKXPL-GOSISDBHSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000926378230 1211542351 /nfs/dbraw/zinc/54/23/51/1211542351.db2.gz NPBFWVOYPXUQCZ-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000926378230 1211542359 /nfs/dbraw/zinc/54/23/59/1211542359.db2.gz NPBFWVOYPXUQCZ-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP Cn1c2ccccc2nc1[C@@H](NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001221332329 1225299298 /nfs/dbraw/zinc/29/92/98/1225299298.db2.gz KKAOQWQOQSXZCN-NUTKFTJISA-N 2 2 350.426 0.863 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941351 1211598552 /nfs/dbraw/zinc/59/85/52/1211598552.db2.gz ZCIMUYQLXBUENR-WCXIOVBPSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941351 1211598554 /nfs/dbraw/zinc/59/85/54/1211598554.db2.gz ZCIMUYQLXBUENR-WCXIOVBPSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941351 1211598555 /nfs/dbraw/zinc/59/85/55/1211598555.db2.gz ZCIMUYQLXBUENR-WCXIOVBPSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941351 1211598556 /nfs/dbraw/zinc/59/85/56/1211598556.db2.gz ZCIMUYQLXBUENR-WCXIOVBPSA-N 2 2 366.506 0.295 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000929446102 1211639796 /nfs/dbraw/zinc/63/97/96/1211639796.db2.gz JTUGZZWYGLZXSF-MSOLQXFVSA-N 2 2 360.458 0.610 20 0 FCADLP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000929513137 1211644085 /nfs/dbraw/zinc/64/40/85/1211644085.db2.gz GNGWANRBSHUYRT-UHFFFAOYSA-N 2 2 361.490 0.726 20 0 FCADLP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000929513137 1211644088 /nfs/dbraw/zinc/64/40/88/1211644088.db2.gz GNGWANRBSHUYRT-UHFFFAOYSA-N 2 2 361.490 0.726 20 0 FCADLP Cc1ccc(NCCNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)[nH+]c1 ZINC000929863298 1211665329 /nfs/dbraw/zinc/66/53/29/1211665329.db2.gz KEFTZZQKHZCLED-HNNXBMFYSA-N 2 2 363.462 0.003 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(C4CCC4)c3)C2)CC1 ZINC000930171671 1211693958 /nfs/dbraw/zinc/69/39/58/1211693958.db2.gz UEZSUUFXPGLFMQ-AWEZNQCLSA-N 2 2 374.489 0.831 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(C4CCC4)c3)C2)CC1 ZINC000930171671 1211693962 /nfs/dbraw/zinc/69/39/62/1211693962.db2.gz UEZSUUFXPGLFMQ-AWEZNQCLSA-N 2 2 374.489 0.831 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1)[NH+](C)C ZINC001111035994 1211813763 /nfs/dbraw/zinc/81/37/63/1211813763.db2.gz QDRKWYXJNUCLLC-WCVJEAGWSA-N 2 2 372.473 0.584 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1)[NH+](C)C ZINC001111035994 1211813764 /nfs/dbraw/zinc/81/37/64/1211813764.db2.gz QDRKWYXJNUCLLC-WCVJEAGWSA-N 2 2 372.473 0.584 20 0 FCADLP Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198413 1211923844 /nfs/dbraw/zinc/92/38/44/1211923844.db2.gz XUHCEJOEZYVMQY-XYPHTWIQSA-N 2 2 362.478 0.147 20 0 FCADLP Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198413 1211923848 /nfs/dbraw/zinc/92/38/48/1211923848.db2.gz XUHCEJOEZYVMQY-XYPHTWIQSA-N 2 2 362.478 0.147 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230745 1211935731 /nfs/dbraw/zinc/93/57/31/1211935731.db2.gz VNCNBCBHJVCNHL-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230745 1211935734 /nfs/dbraw/zinc/93/57/34/1211935734.db2.gz VNCNBCBHJVCNHL-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230745 1211935738 /nfs/dbraw/zinc/93/57/38/1211935738.db2.gz VNCNBCBHJVCNHL-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230745 1211935743 /nfs/dbraw/zinc/93/57/43/1211935743.db2.gz VNCNBCBHJVCNHL-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nccn3C)C2)O1 ZINC001017151956 1211980548 /nfs/dbraw/zinc/98/05/48/1211980548.db2.gz IYNVDZQUHRMESG-IXDOHACOSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nccn3C)C2)O1 ZINC001017151956 1211980563 /nfs/dbraw/zinc/98/05/63/1211980563.db2.gz IYNVDZQUHRMESG-IXDOHACOSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3nccn3C)C2)O1 ZINC001017151956 1211980571 /nfs/dbraw/zinc/98/05/71/1211980571.db2.gz IYNVDZQUHRMESG-IXDOHACOSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3nccn3C)C2)O1 ZINC001017151956 1211980580 /nfs/dbraw/zinc/98/05/80/1211980580.db2.gz IYNVDZQUHRMESG-IXDOHACOSA-N 2 2 363.506 0.810 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000947250506 1212011022 /nfs/dbraw/zinc/01/10/22/1212011022.db2.gz WKQBYIOZBCHCFU-CZUORRHYSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000947250506 1212011025 /nfs/dbraw/zinc/01/10/25/1212011025.db2.gz WKQBYIOZBCHCFU-CZUORRHYSA-N 2 2 363.462 0.018 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000948116648 1212136453 /nfs/dbraw/zinc/13/64/53/1212136453.db2.gz PYOSRDBDPQJFKH-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000948116648 1212136454 /nfs/dbraw/zinc/13/64/54/1212136454.db2.gz PYOSRDBDPQJFKH-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CCCn1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000188958011 1212139263 /nfs/dbraw/zinc/13/92/63/1212139263.db2.gz OIDZYVIALBIGLV-UHFFFAOYSA-N 2 2 364.494 0.716 20 0 FCADLP CCCn1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000188958011 1212139264 /nfs/dbraw/zinc/13/92/64/1212139264.db2.gz OIDZYVIALBIGLV-UHFFFAOYSA-N 2 2 364.494 0.716 20 0 FCADLP Cc1nonc1C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968914479 1212178018 /nfs/dbraw/zinc/17/80/18/1212178018.db2.gz VRHHMRDCBRCMIN-UKPHBRMFSA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nonc1C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968914479 1212178025 /nfs/dbraw/zinc/17/80/25/1212178025.db2.gz VRHHMRDCBRCMIN-UKPHBRMFSA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nonc1C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914479 1212178028 /nfs/dbraw/zinc/17/80/28/1212178028.db2.gz VRHHMRDCBRCMIN-UKPHBRMFSA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nonc1C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914479 1212178036 /nfs/dbraw/zinc/17/80/36/1212178036.db2.gz VRHHMRDCBRCMIN-UKPHBRMFSA-N 2 2 365.478 0.958 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC000948541369 1212196869 /nfs/dbraw/zinc/19/68/69/1212196869.db2.gz FAIVMOFNTTVWKU-DJIMGWMZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC000948541369 1212196871 /nfs/dbraw/zinc/19/68/71/1212196871.db2.gz FAIVMOFNTTVWKU-DJIMGWMZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)O1 ZINC000948541369 1212196876 /nfs/dbraw/zinc/19/68/76/1212196876.db2.gz FAIVMOFNTTVWKU-DJIMGWMZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)O1 ZINC000948541369 1212196879 /nfs/dbraw/zinc/19/68/79/1212196879.db2.gz FAIVMOFNTTVWKU-DJIMGWMZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C(C)(C)C)C2)O1 ZINC000969072058 1212254864 /nfs/dbraw/zinc/25/48/64/1212254864.db2.gz UZZNEGXUZVQGGQ-RBSFLKMASA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C(C)(C)C)C2)O1 ZINC000969072058 1212254869 /nfs/dbraw/zinc/25/48/69/1212254869.db2.gz UZZNEGXUZVQGGQ-RBSFLKMASA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000949184583 1212316318 /nfs/dbraw/zinc/31/63/18/1212316318.db2.gz NDCQNEROVYZZKZ-QLFBSQMISA-N 2 2 355.442 0.863 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000949184583 1212316322 /nfs/dbraw/zinc/31/63/22/1212316322.db2.gz NDCQNEROVYZZKZ-QLFBSQMISA-N 2 2 355.442 0.863 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000949214184 1212327157 /nfs/dbraw/zinc/32/71/57/1212327157.db2.gz NMYQQYKRAULOSF-UKPHBRMFSA-N 2 2 370.457 0.614 20 0 FCADLP C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC1 ZINC001006725327 1212331018 /nfs/dbraw/zinc/33/10/18/1212331018.db2.gz IYZAMSZJPBWGAO-ZACQAIPSSA-N 2 2 359.474 0.932 20 0 FCADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360148 1212461894 /nfs/dbraw/zinc/46/18/94/1212461894.db2.gz MKDVVBRUBKLWEY-JZXOWHBKSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360148 1212461903 /nfs/dbraw/zinc/46/19/03/1212461903.db2.gz MKDVVBRUBKLWEY-JZXOWHBKSA-N 2 2 366.506 0.060 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001007481848 1212503474 /nfs/dbraw/zinc/50/34/74/1212503474.db2.gz WISITEMTDUPLQM-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000950243775 1212539424 /nfs/dbraw/zinc/53/94/24/1212539424.db2.gz MERIBQJDZVNWKA-FVQBIDKESA-N 2 2 360.458 0.690 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000950243775 1212539429 /nfs/dbraw/zinc/53/94/29/1212539429.db2.gz MERIBQJDZVNWKA-FVQBIDKESA-N 2 2 360.458 0.690 20 0 FCADLP Cc1noc(CCC[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007623207 1212539488 /nfs/dbraw/zinc/53/94/88/1212539488.db2.gz HJMYHHYEFYVBCT-FVQBIDKESA-N 2 2 365.478 0.610 20 0 FCADLP Cc1noc(CCC[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007623207 1212539495 /nfs/dbraw/zinc/53/94/95/1212539495.db2.gz HJMYHHYEFYVBCT-FVQBIDKESA-N 2 2 365.478 0.610 20 0 FCADLP Cc1noc(CCC[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007623207 1212539497 /nfs/dbraw/zinc/53/94/97/1212539497.db2.gz HJMYHHYEFYVBCT-FVQBIDKESA-N 2 2 365.478 0.610 20 0 FCADLP Cc1noc(CCC[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007623207 1212539505 /nfs/dbraw/zinc/53/95/05/1212539505.db2.gz HJMYHHYEFYVBCT-FVQBIDKESA-N 2 2 365.478 0.610 20 0 FCADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001006455104 1212548055 /nfs/dbraw/zinc/54/80/55/1212548055.db2.gz GEUIDRHLPDREBX-NWANDNLSSA-N 2 2 357.458 0.572 20 0 FCADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001006455104 1212548056 /nfs/dbraw/zinc/54/80/56/1212548056.db2.gz GEUIDRHLPDREBX-NWANDNLSSA-N 2 2 357.458 0.572 20 0 FCADLP 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CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000957068902 1213243126 /nfs/dbraw/zinc/24/31/26/1213243126.db2.gz DPZPYAVDOPJKPI-OIISXLGYSA-N 2 2 361.490 0.799 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000957068902 1213243129 /nfs/dbraw/zinc/24/31/29/1213243129.db2.gz DPZPYAVDOPJKPI-OIISXLGYSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000957085817 1213248495 /nfs/dbraw/zinc/24/84/95/1213248495.db2.gz IHLYIYQVGKIHKX-BFYDXBDKSA-N 2 2 371.485 0.504 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000957162837 1213271847 /nfs/dbraw/zinc/27/18/47/1213271847.db2.gz KALAOMPNBGCQLI-RKVPGOIHSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000957162837 1213271848 /nfs/dbraw/zinc/27/18/48/1213271848.db2.gz KALAOMPNBGCQLI-RKVPGOIHSA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@@H+](Cc1nnn(C)n1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716210 1213350504 /nfs/dbraw/zinc/35/05/04/1213350504.db2.gz XEVHCBHEZKIBAF-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP CC[N@H+](Cc1nnn(C)n1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716210 1213350505 /nfs/dbraw/zinc/35/05/05/1213350505.db2.gz XEVHCBHEZKIBAF-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP CC[NH+](Cc1nnn(C)n1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000957716210 1213350507 /nfs/dbraw/zinc/35/05/07/1213350507.db2.gz XEVHCBHEZKIBAF-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP CC[NH+](Cc1nnn(C)n1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000957716210 1213350510 /nfs/dbraw/zinc/35/05/10/1213350510.db2.gz XEVHCBHEZKIBAF-GDBMZVCRSA-N 2 2 363.510 0.611 20 0 FCADLP CC[NH+](Cc1cnon1)CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000957726058 1213352374 /nfs/dbraw/zinc/35/23/74/1213352374.db2.gz KZCCFGOXYQEKAG-RHSMWYFYSA-N 2 2 365.478 0.849 20 0 FCADLP CC[NH+](Cc1cnon1)CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000957726058 1213352376 /nfs/dbraw/zinc/35/23/76/1213352376.db2.gz KZCCFGOXYQEKAG-RHSMWYFYSA-N 2 2 365.478 0.849 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710720 1225452585 /nfs/dbraw/zinc/45/25/85/1225452585.db2.gz GAMYDNFZNWDPDG-ZHALLVOQSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710720 1225452588 /nfs/dbraw/zinc/45/25/88/1225452588.db2.gz GAMYDNFZNWDPDG-ZHALLVOQSA-N 2 2 362.518 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4nc(CC5CC5)no4)C[C@H]32)CC[N@@H+]1C ZINC000959965204 1213564489 /nfs/dbraw/zinc/56/44/89/1213564489.db2.gz IYJXMGHLAIEAJM-QQQXPLKNSA-N 2 2 359.474 0.909 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4nc(CC5CC5)no4)C[C@H]32)CC[N@H+]1C ZINC000959965204 1213564492 /nfs/dbraw/zinc/56/44/92/1213564492.db2.gz IYJXMGHLAIEAJM-QQQXPLKNSA-N 2 2 359.474 0.909 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nc(CC5CC5)no4)C[C@H]32)CC[NH+]1C ZINC000959965204 1213564495 /nfs/dbraw/zinc/56/44/95/1213564495.db2.gz IYJXMGHLAIEAJM-QQQXPLKNSA-N 2 2 359.474 0.909 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nc(CC5CC5)no4)C[C@H]32)CC[NH+]1C ZINC000959965204 1213564498 /nfs/dbraw/zinc/56/44/98/1213564498.db2.gz IYJXMGHLAIEAJM-QQQXPLKNSA-N 2 2 359.474 0.909 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc1 ZINC000960046025 1213593960 /nfs/dbraw/zinc/59/39/60/1213593960.db2.gz NXOZTPVZXPPWJG-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc1 ZINC000960046025 1213593966 /nfs/dbraw/zinc/59/39/66/1213593966.db2.gz NXOZTPVZXPPWJG-IXDOHACOSA-N 2 2 361.490 0.975 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)CC[N@@H+]1C ZINC001011209470 1213849608 /nfs/dbraw/zinc/84/96/08/1213849608.db2.gz FXIVKQQPBDDZRQ-HUUCEWRRSA-N 2 2 355.442 0.959 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)CC[N@H+]1C ZINC001011209470 1213849610 /nfs/dbraw/zinc/84/96/10/1213849610.db2.gz FXIVKQQPBDDZRQ-HUUCEWRRSA-N 2 2 355.442 0.959 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011648016 1213879884 /nfs/dbraw/zinc/87/98/84/1213879884.db2.gz OVJZKZXUULYQKY-ARFHVFGLSA-N 2 2 359.474 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011648016 1213879886 /nfs/dbraw/zinc/87/98/86/1213879886.db2.gz OVJZKZXUULYQKY-ARFHVFGLSA-N 2 2 359.474 0.536 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21)[NH+](C)C ZINC000960668270 1213880215 /nfs/dbraw/zinc/88/02/15/1213880215.db2.gz SXMGALZJKDUDEB-HRCADAONSA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001014449513 1213954767 /nfs/dbraw/zinc/95/47/67/1213954767.db2.gz BSSFVNDQROAPBW-BRWVUGGUSA-N 2 2 369.473 0.636 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014449513 1213954771 /nfs/dbraw/zinc/95/47/71/1213954771.db2.gz BSSFVNDQROAPBW-BRWVUGGUSA-N 2 2 369.473 0.636 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919001 1213976000 /nfs/dbraw/zinc/97/60/00/1213976000.db2.gz DICCDRUSEGNHJE-MZMPZRCHSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919001 1213976005 /nfs/dbraw/zinc/97/60/05/1213976005.db2.gz DICCDRUSEGNHJE-MZMPZRCHSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919001 1213976013 /nfs/dbraw/zinc/97/60/13/1213976013.db2.gz DICCDRUSEGNHJE-MZMPZRCHSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919001 1213976018 /nfs/dbraw/zinc/97/60/18/1213976018.db2.gz DICCDRUSEGNHJE-MZMPZRCHSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc4nonc4c3)C2)O1 ZINC001014926274 1213977737 /nfs/dbraw/zinc/97/77/37/1213977737.db2.gz VDVDQQODGBEKDP-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc4nonc4c3)C2)O1 ZINC001014926274 1213977743 /nfs/dbraw/zinc/97/77/43/1213977743.db2.gz VDVDQQODGBEKDP-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc4nonc4c3)C2)O1 ZINC001014926274 1213977746 /nfs/dbraw/zinc/97/77/46/1213977746.db2.gz VDVDQQODGBEKDP-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc4nonc4c3)C2)O1 ZINC001014926274 1213977749 /nfs/dbraw/zinc/97/77/49/1213977749.db2.gz VDVDQQODGBEKDP-HACGYAERSA-N 2 2 359.430 0.632 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC1 ZINC001014925585 1213977799 /nfs/dbraw/zinc/97/77/99/1213977799.db2.gz QWDDZIGTVOGOAU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC1 ZINC001014925585 1213977804 /nfs/dbraw/zinc/97/78/04/1213977804.db2.gz QWDDZIGTVOGOAU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC1CCN(C(=O)C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001014925585 1213977807 /nfs/dbraw/zinc/97/78/07/1213977807.db2.gz QWDDZIGTVOGOAU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC1CCN(C(=O)C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001014925585 1213977811 /nfs/dbraw/zinc/97/78/11/1213977811.db2.gz QWDDZIGTVOGOAU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccnc(N(C)C)c3)C2)O1 ZINC001014923847 1213978714 /nfs/dbraw/zinc/97/87/14/1213978714.db2.gz IYVIKIZFDOOPQI-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccnc(N(C)C)c3)C2)O1 ZINC001014923847 1213978717 /nfs/dbraw/zinc/97/87/17/1213978717.db2.gz IYVIKIZFDOOPQI-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccnc(N(C)C)c3)C2)O1 ZINC001014923847 1213978722 /nfs/dbraw/zinc/97/87/22/1213978722.db2.gz IYVIKIZFDOOPQI-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(N(C)C)c3)C2)O1 ZINC001014923847 1213978725 /nfs/dbraw/zinc/97/87/25/1213978725.db2.gz IYVIKIZFDOOPQI-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419124178 1214018035 /nfs/dbraw/zinc/01/80/35/1214018035.db2.gz XCTIRQWOLDFUPX-IBGZPJMESA-N 2 2 357.458 0.653 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001018994441 1214175952 /nfs/dbraw/zinc/17/59/52/1214175952.db2.gz ZBHAPHWDPUBBKP-IACUBPJLSA-N 2 2 367.413 0.240 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1)C1CC1 ZINC001019148542 1214206295 /nfs/dbraw/zinc/20/62/95/1214206295.db2.gz YNXWQFGEDMFJQO-BFYDXBDKSA-N 2 2 371.485 0.914 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)CC[N@@H+]1C ZINC001019156217 1214210525 /nfs/dbraw/zinc/21/05/25/1214210525.db2.gz AOWAXHNDNNROHO-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)CC[N@H+]1C ZINC001019156217 1214210529 /nfs/dbraw/zinc/21/05/29/1214210529.db2.gz AOWAXHNDNNROHO-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001019241842 1214223379 /nfs/dbraw/zinc/22/33/79/1214223379.db2.gz CZVOVEOXLASKQK-HUUCEWRRSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001019241842 1214223388 /nfs/dbraw/zinc/22/33/88/1214223388.db2.gz CZVOVEOXLASKQK-HUUCEWRRSA-N 2 2 359.474 0.662 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)CC[N@@H+]1C ZINC000961668547 1214263487 /nfs/dbraw/zinc/26/34/87/1214263487.db2.gz LNLZZTFEVLFHMK-VVLHAWIVSA-N 2 2 359.474 0.530 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)CC[N@H+]1C ZINC000961668547 1214263490 /nfs/dbraw/zinc/26/34/90/1214263490.db2.gz LNLZZTFEVLFHMK-VVLHAWIVSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020166094 1214315160 /nfs/dbraw/zinc/31/51/60/1214315160.db2.gz OMKVDAWRAVBRCV-OXGONZEZSA-N 2 2 357.458 0.279 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961840627 1214328919 /nfs/dbraw/zinc/32/89/19/1214328919.db2.gz LGPSQIPIZSMVNF-FIDHJVLJSA-N 2 2 371.485 0.772 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961840627 1214328925 /nfs/dbraw/zinc/32/89/25/1214328925.db2.gz LGPSQIPIZSMVNF-FIDHJVLJSA-N 2 2 371.485 0.772 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895061 1225525578 /nfs/dbraw/zinc/52/55/78/1225525578.db2.gz UBCVWTRQKNEBLW-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221895061 1225525582 /nfs/dbraw/zinc/52/55/82/1225525582.db2.gz UBCVWTRQKNEBLW-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CCn1ncc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000962323938 1214533932 /nfs/dbraw/zinc/53/39/32/1214533932.db2.gz MBUQFAGDFPFWHF-BCAXMMLOSA-N 2 2 357.462 0.820 20 0 FCADLP CCn1ncnc1C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000962323570 1214534260 /nfs/dbraw/zinc/53/42/60/1214534260.db2.gz KFQMVNCXNDPXTJ-NEXFUWMNSA-N 2 2 357.462 0.820 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947004 1225546554 /nfs/dbraw/zinc/54/65/54/1225546554.db2.gz MSVQQQWEIBSOSF-GDBMZVCRSA-N 2 2 362.478 0.203 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001221947004 1225546558 /nfs/dbraw/zinc/54/65/58/1225546558.db2.gz MSVQQQWEIBSOSF-GDBMZVCRSA-N 2 2 362.478 0.203 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221950596 1225549161 /nfs/dbraw/zinc/54/91/61/1225549161.db2.gz OZFSVVLGXHLQCD-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221950596 1225549166 /nfs/dbraw/zinc/54/91/66/1225549166.db2.gz OZFSVVLGXHLQCD-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221950596 1225549167 /nfs/dbraw/zinc/54/91/67/1225549167.db2.gz OZFSVVLGXHLQCD-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221950596 1225549173 /nfs/dbraw/zinc/54/91/73/1225549173.db2.gz OZFSVVLGXHLQCD-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000963506131 1214815765 /nfs/dbraw/zinc/81/57/65/1214815765.db2.gz MBNMBUWYEHYIGK-LVQVYYBASA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000963506131 1214815766 /nfs/dbraw/zinc/81/57/66/1214815766.db2.gz MBNMBUWYEHYIGK-LVQVYYBASA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000963506126 1214815952 /nfs/dbraw/zinc/81/59/52/1214815952.db2.gz MBNMBUWYEHYIGK-FPCVCCKLSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000963506126 1214815953 /nfs/dbraw/zinc/81/59/53/1214815953.db2.gz MBNMBUWYEHYIGK-FPCVCCKLSA-N 2 2 359.474 0.884 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001222013382 1225576193 /nfs/dbraw/zinc/57/61/93/1225576193.db2.gz BVJZMVADFWKKTC-HLLBOEOZSA-N 2 2 360.458 0.380 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001222013382 1225576197 /nfs/dbraw/zinc/57/61/97/1225576197.db2.gz BVJZMVADFWKKTC-HLLBOEOZSA-N 2 2 360.458 0.380 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001222013382 1225576199 /nfs/dbraw/zinc/57/61/99/1225576199.db2.gz BVJZMVADFWKKTC-HLLBOEOZSA-N 2 2 360.458 0.380 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001222013382 1225576202 /nfs/dbraw/zinc/57/62/02/1225576202.db2.gz BVJZMVADFWKKTC-HLLBOEOZSA-N 2 2 360.458 0.380 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001222093625 1225597785 /nfs/dbraw/zinc/59/77/85/1225597785.db2.gz INJOYVFBCWMCCX-IXDOHACOSA-N 2 2 369.473 0.975 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001222093625 1225597790 /nfs/dbraw/zinc/59/77/90/1225597790.db2.gz INJOYVFBCWMCCX-IXDOHACOSA-N 2 2 369.473 0.975 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489375 1225628088 /nfs/dbraw/zinc/62/80/88/1225628088.db2.gz RZULNWNCACVYMN-IKGGRYGDSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489375 1225628096 /nfs/dbraw/zinc/62/80/96/1225628096.db2.gz RZULNWNCACVYMN-IKGGRYGDSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489375 1225628097 /nfs/dbraw/zinc/62/80/97/1225628097.db2.gz RZULNWNCACVYMN-IKGGRYGDSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489375 1225628100 /nfs/dbraw/zinc/62/81/00/1225628100.db2.gz RZULNWNCACVYMN-IKGGRYGDSA-N 2 2 366.506 0.107 20 0 FCADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001222595901 1225637388 /nfs/dbraw/zinc/63/73/88/1225637388.db2.gz LJJREESHFCFXIB-JCECYMMASA-N 2 2 360.454 0.913 20 0 FCADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001222595901 1225637391 /nfs/dbraw/zinc/63/73/91/1225637391.db2.gz LJJREESHFCFXIB-JCECYMMASA-N 2 2 360.454 0.913 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013607 1215924964 /nfs/dbraw/zinc/92/49/64/1215924964.db2.gz XGLMIPLZMSFLQC-NXHRZFHOSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013607 1215924968 /nfs/dbraw/zinc/92/49/68/1215924968.db2.gz XGLMIPLZMSFLQC-NXHRZFHOSA-N 2 2 371.489 0.714 20 0 FCADLP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001056464640 1215974603 /nfs/dbraw/zinc/97/46/03/1215974603.db2.gz ZXKRWJWTOIGFFN-NSIVTLKISA-N 2 2 359.474 0.617 20 0 FCADLP CCc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001056464640 1215974609 /nfs/dbraw/zinc/97/46/09/1215974609.db2.gz ZXKRWJWTOIGFFN-NSIVTLKISA-N 2 2 359.474 0.617 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000005846 1215988457 /nfs/dbraw/zinc/98/84/57/1215988457.db2.gz RWECKBGXDMYFBC-HZPDHXFCSA-N 2 2 359.474 0.727 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC001000838117 1216119398 /nfs/dbraw/zinc/11/93/98/1216119398.db2.gz STSAQRPNEATEIO-DJIMGWMZSA-N 2 2 364.490 0.075 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1=O ZINC001000838117 1216119400 /nfs/dbraw/zinc/11/94/00/1216119400.db2.gz STSAQRPNEATEIO-DJIMGWMZSA-N 2 2 364.490 0.075 20 0 FCADLP CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001000838117 1216119401 /nfs/dbraw/zinc/11/94/01/1216119401.db2.gz STSAQRPNEATEIO-DJIMGWMZSA-N 2 2 364.490 0.075 20 0 FCADLP CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC001000838117 1216119403 /nfs/dbraw/zinc/11/94/03/1216119403.db2.gz STSAQRPNEATEIO-DJIMGWMZSA-N 2 2 364.490 0.075 20 0 FCADLP Cc1nccnc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000838514 1216119565 /nfs/dbraw/zinc/11/95/65/1216119565.db2.gz WDKFZLNRNOQIML-RDTXWAMCSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1nccnc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000838514 1216119566 /nfs/dbraw/zinc/11/95/66/1216119566.db2.gz WDKFZLNRNOQIML-RDTXWAMCSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1nccnc1C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838514 1216119567 /nfs/dbraw/zinc/11/95/67/1216119567.db2.gz WDKFZLNRNOQIML-RDTXWAMCSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838514 1216119570 /nfs/dbraw/zinc/11/95/70/1216119570.db2.gz WDKFZLNRNOQIML-RDTXWAMCSA-N 2 2 359.474 0.752 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001001172585 1216134712 /nfs/dbraw/zinc/13/47/12/1216134712.db2.gz ZFFXEDCNIYYKKU-KFWWJZLASA-N 2 2 371.441 0.077 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001001172585 1216134714 /nfs/dbraw/zinc/13/47/14/1216134714.db2.gz ZFFXEDCNIYYKKU-KFWWJZLASA-N 2 2 371.441 0.077 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841925 1225656072 /nfs/dbraw/zinc/65/60/72/1225656072.db2.gz GLUXUSYRGNHLQO-RDTXWAMCSA-N 2 2 361.446 0.632 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276841925 1225656075 /nfs/dbraw/zinc/65/60/75/1225656075.db2.gz GLUXUSYRGNHLQO-RDTXWAMCSA-N 2 2 361.446 0.632 20 0 FCADLP CCc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001533339 1216237467 /nfs/dbraw/zinc/23/74/67/1216237467.db2.gz QPGMCUVEHVCUDN-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001533339 1216237486 /nfs/dbraw/zinc/23/74/86/1216237486.db2.gz QPGMCUVEHVCUDN-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001050327921 1216307490 /nfs/dbraw/zinc/30/74/90/1216307490.db2.gz BSENLDSVNSWHPN-FMKPAKJESA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001050327921 1216307496 /nfs/dbraw/zinc/30/74/96/1216307496.db2.gz BSENLDSVNSWHPN-FMKPAKJESA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050327921 1216307503 /nfs/dbraw/zinc/30/75/03/1216307503.db2.gz BSENLDSVNSWHPN-FMKPAKJESA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050327921 1216307508 /nfs/dbraw/zinc/30/75/08/1216307508.db2.gz BSENLDSVNSWHPN-FMKPAKJESA-N 2 2 358.490 0.500 20 0 FCADLP Cc1nc(N(C)C)nc(NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH+]1 ZINC001057443373 1216332216 /nfs/dbraw/zinc/33/22/16/1216332216.db2.gz MBQYAKVHWPDCCO-IUODEOHRSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N(C)C)nc(NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH+]1 ZINC001057443373 1216332221 /nfs/dbraw/zinc/33/22/21/1216332221.db2.gz MBQYAKVHWPDCCO-IUODEOHRSA-N 2 2 361.494 0.989 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001050669602 1216347224 /nfs/dbraw/zinc/34/72/24/1216347224.db2.gz IOSIPYOZNIBYIO-RRFJBIMHSA-N 2 2 359.474 0.583 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2cccc3c2CC[NH+](CC(N)=O)C3)CC[N@@H+]1C ZINC001051289086 1216425248 /nfs/dbraw/zinc/42/52/48/1216425248.db2.gz DEWSXLMVIHDGKZ-ZWKOTPCHSA-N 2 2 358.486 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2cccc3c2CC[NH+](CC(N)=O)C3)CC[N@H+]1C ZINC001051289086 1216425255 /nfs/dbraw/zinc/42/52/55/1216425255.db2.gz DEWSXLMVIHDGKZ-ZWKOTPCHSA-N 2 2 358.486 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2cccc3c2CC[N@H+](CC(N)=O)C3)CC[NH+]1C ZINC001051289086 1216425263 /nfs/dbraw/zinc/42/52/63/1216425263.db2.gz DEWSXLMVIHDGKZ-ZWKOTPCHSA-N 2 2 358.486 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2cccc3c2CC[N@@H+](CC(N)=O)C3)CC[NH+]1C ZINC001051289086 1216425268 /nfs/dbraw/zinc/42/52/68/1216425268.db2.gz DEWSXLMVIHDGKZ-ZWKOTPCHSA-N 2 2 358.486 0.877 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222993515 1225672305 /nfs/dbraw/zinc/67/23/05/1225672305.db2.gz RJRRWHTXGILPOI-RYRKJORJSA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222993515 1225672308 /nfs/dbraw/zinc/67/23/08/1225672308.db2.gz RJRRWHTXGILPOI-RYRKJORJSA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051729091 1216478657 /nfs/dbraw/zinc/47/86/57/1216478657.db2.gz GLWQKTUGDSAMGV-SQNIBIBYSA-N 2 2 367.490 0.093 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)on1 ZINC001051834135 1216485167 /nfs/dbraw/zinc/48/51/67/1216485167.db2.gz HTJLQAHTKSULAQ-BZUAXINKSA-N 2 2 359.430 0.837 20 0 FCADLP CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489895 1216561826 /nfs/dbraw/zinc/56/18/26/1216561826.db2.gz QQBXGAGXPUDEAT-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489895 1216561829 /nfs/dbraw/zinc/56/18/29/1216561829.db2.gz QQBXGAGXPUDEAT-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489895 1216561833 /nfs/dbraw/zinc/56/18/33/1216561833.db2.gz QQBXGAGXPUDEAT-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489895 1216561839 /nfs/dbraw/zinc/56/18/39/1216561839.db2.gz QQBXGAGXPUDEAT-BFYDXBDKSA-N 2 2 364.494 0.488 20 0 FCADLP CCc1noc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488593 1216562107 /nfs/dbraw/zinc/56/21/07/1216562107.db2.gz HXXMYKAYZJUMKW-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP CCc1noc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488593 1216562115 /nfs/dbraw/zinc/56/21/15/1216562115.db2.gz HXXMYKAYZJUMKW-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488593 1216562120 /nfs/dbraw/zinc/56/21/20/1216562120.db2.gz HXXMYKAYZJUMKW-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052488593 1216562126 /nfs/dbraw/zinc/56/21/26/1216562126.db2.gz HXXMYKAYZJUMKW-RBSFLKMASA-N 2 2 365.478 0.822 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC(C)C)[C@H]2C1 ZINC001223116417 1225682131 /nfs/dbraw/zinc/68/21/31/1225682131.db2.gz VWQFPZHGYLLFEO-SJORKVTESA-N 2 2 361.490 0.887 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC(C)C)[C@H]2C1 ZINC001223116417 1225682134 /nfs/dbraw/zinc/68/21/34/1225682134.db2.gz VWQFPZHGYLLFEO-SJORKVTESA-N 2 2 361.490 0.887 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001057901609 1216602061 /nfs/dbraw/zinc/60/20/61/1216602061.db2.gz ZNBMITLIAQMSRP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001057901609 1216602068 /nfs/dbraw/zinc/60/20/68/1216602068.db2.gz ZNBMITLIAQMSRP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC001057901609 1216602072 /nfs/dbraw/zinc/60/20/72/1216602072.db2.gz ZNBMITLIAQMSRP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC001057901609 1216602077 /nfs/dbraw/zinc/60/20/77/1216602077.db2.gz ZNBMITLIAQMSRP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001058252500 1216658521 /nfs/dbraw/zinc/65/85/21/1216658521.db2.gz MFNOAJDBKSJABG-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001058252500 1216658526 /nfs/dbraw/zinc/65/85/26/1216658526.db2.gz MFNOAJDBKSJABG-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001058252500 1216658533 /nfs/dbraw/zinc/65/85/33/1216658533.db2.gz MFNOAJDBKSJABG-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001058252500 1216658536 /nfs/dbraw/zinc/65/85/36/1216658536.db2.gz MFNOAJDBKSJABG-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067712390 1216696495 /nfs/dbraw/zinc/69/64/95/1216696495.db2.gz JPPWDHPUCVFVFS-CZUORRHYSA-N 2 2 365.478 0.287 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067712390 1216696499 /nfs/dbraw/zinc/69/64/99/1216696499.db2.gz JPPWDHPUCVFVFS-CZUORRHYSA-N 2 2 365.478 0.287 20 0 FCADLP CCC(=O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276873510 1225692125 /nfs/dbraw/zinc/69/21/25/1225692125.db2.gz OASQVGMRQFJJTA-SFHVURJKSA-N 2 2 364.534 0.821 20 0 FCADLP CCC(=O)C[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276873510 1225692127 /nfs/dbraw/zinc/69/21/27/1225692127.db2.gz OASQVGMRQFJJTA-SFHVURJKSA-N 2 2 364.534 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2cnn3c2CN(Cc2c[nH+]cn2C)CC3)CC[N@@H+]1C ZINC001069862066 1216806463 /nfs/dbraw/zinc/80/64/63/1216806463.db2.gz YBJJVVLJJMBRHQ-RHSMWYFYSA-N 2 2 371.489 0.589 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCc2cnn3c2CN(Cc2c[nH+]cn2C)CC3)CC[N@H+]1C ZINC001069862066 1216806464 /nfs/dbraw/zinc/80/64/64/1216806464.db2.gz YBJJVVLJJMBRHQ-RHSMWYFYSA-N 2 2 371.489 0.589 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962320 1216869265 /nfs/dbraw/zinc/86/92/65/1216869265.db2.gz POORVBJHOQQNMD-OAGGEKHMSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962320 1216869266 /nfs/dbraw/zinc/86/92/66/1216869266.db2.gz POORVBJHOQQNMD-OAGGEKHMSA-N 2 2 357.462 0.735 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962336 1216869421 /nfs/dbraw/zinc/86/94/21/1216869421.db2.gz QPDNYULSOYQXHZ-UAGQMJEPSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962336 1216869422 /nfs/dbraw/zinc/86/94/22/1216869422.db2.gz QPDNYULSOYQXHZ-UAGQMJEPSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001070023612 1216902785 /nfs/dbraw/zinc/90/27/85/1216902785.db2.gz ZZEKTGKMXZRHMG-YUELXQCFSA-N 2 2 361.425 0.822 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001070023612 1216902789 /nfs/dbraw/zinc/90/27/89/1216902789.db2.gz ZZEKTGKMXZRHMG-YUELXQCFSA-N 2 2 361.425 0.822 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070027226 1216905406 /nfs/dbraw/zinc/90/54/06/1216905406.db2.gz STQUWPNFIMPONC-ANQUJSFKSA-N 2 2 357.462 0.957 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070027226 1216905410 /nfs/dbraw/zinc/90/54/10/1216905410.db2.gz STQUWPNFIMPONC-ANQUJSFKSA-N 2 2 357.462 0.957 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223570759 1225716516 /nfs/dbraw/zinc/71/65/16/1225716516.db2.gz PZJXQHQFSGCUKE-NVXWUHKLSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570759 1225716528 /nfs/dbraw/zinc/71/65/28/1225716528.db2.gz PZJXQHQFSGCUKE-NVXWUHKLSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)C1CC1 ZINC001223572885 1225718291 /nfs/dbraw/zinc/71/82/91/1225718291.db2.gz VNAAMDQAKWBSHJ-LXZKKBNFSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)C1CC1 ZINC001223572885 1225718292 /nfs/dbraw/zinc/71/82/92/1225718292.db2.gz VNAAMDQAKWBSHJ-LXZKKBNFSA-N 2 2 359.474 0.790 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@@H+]1C ZINC001041300930 1217272542 /nfs/dbraw/zinc/27/25/42/1217272542.db2.gz KMBVYKFBJJODAM-YQVWRLOYSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@H+]1C ZINC001041300930 1217272555 /nfs/dbraw/zinc/27/25/55/1217272555.db2.gz KMBVYKFBJJODAM-YQVWRLOYSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001041300930 1217272564 /nfs/dbraw/zinc/27/25/64/1217272564.db2.gz KMBVYKFBJJODAM-YQVWRLOYSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001041300930 1217272571 /nfs/dbraw/zinc/27/25/71/1217272571.db2.gz KMBVYKFBJJODAM-YQVWRLOYSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041343932 1217289299 /nfs/dbraw/zinc/28/92/99/1217289299.db2.gz MKBBXMVQQXPDQO-DAXOMENPSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041343932 1217289304 /nfs/dbraw/zinc/28/93/04/1217289304.db2.gz MKBBXMVQQXPDQO-DAXOMENPSA-N 2 2 359.474 0.670 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276917951 1225734156 /nfs/dbraw/zinc/73/41/56/1225734156.db2.gz JUXVFCJNZFJOMA-SFHVURJKSA-N 2 2 363.462 0.055 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276917951 1225734161 /nfs/dbraw/zinc/73/41/61/1225734161.db2.gz JUXVFCJNZFJOMA-SFHVURJKSA-N 2 2 363.462 0.055 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001276919781 1225735957 /nfs/dbraw/zinc/73/59/57/1225735957.db2.gz YTARSHGNDCDRLK-MRXNPFEDSA-N 2 2 361.490 0.970 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3cnnn3C)C2)C1 ZINC001041695963 1217354850 /nfs/dbraw/zinc/35/48/50/1217354850.db2.gz HYXMDTWPDJILFM-MDZRGWNJSA-N 2 2 369.473 0.777 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnnn3C)C2)C1 ZINC001041695963 1217354854 /nfs/dbraw/zinc/35/48/54/1217354854.db2.gz HYXMDTWPDJILFM-MDZRGWNJSA-N 2 2 369.473 0.777 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001042236388 1217400065 /nfs/dbraw/zinc/40/00/65/1217400065.db2.gz KVZCBMFQQNLJCF-UHOFOFEASA-N 2 2 369.473 0.646 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)C1 ZINC001042502604 1217424860 /nfs/dbraw/zinc/42/48/60/1217424860.db2.gz OKJFTVHSTPIMSE-UMVBOHGHSA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)C1 ZINC001042502604 1217424865 /nfs/dbraw/zinc/42/48/65/1217424865.db2.gz OKJFTVHSTPIMSE-UMVBOHGHSA-N 2 2 357.462 0.646 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001043423202 1217654583 /nfs/dbraw/zinc/65/45/83/1217654583.db2.gz DCUPOPHGQVMSSA-NXHRZFHOSA-N 2 2 367.490 0.045 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043677462 1217701728 /nfs/dbraw/zinc/70/17/28/1217701728.db2.gz GSGZKVJKVMVIEV-YESZJQIVSA-N 2 2 359.474 0.858 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)nc(C)[nH+]1 ZINC001043677462 1217701733 /nfs/dbraw/zinc/70/17/33/1217701733.db2.gz GSGZKVJKVMVIEV-YESZJQIVSA-N 2 2 359.474 0.858 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044024718 1217792840 /nfs/dbraw/zinc/79/28/40/1217792840.db2.gz SAIHQMWMDBTEBL-CVEARBPZSA-N 2 2 359.474 0.670 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044194238 1217815926 /nfs/dbraw/zinc/81/59/26/1217815926.db2.gz OMGAAZKXEYQZCV-CVEARBPZSA-N 2 2 361.490 0.745 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044207877 1217818511 /nfs/dbraw/zinc/81/85/11/1217818511.db2.gz ZCBSDQVPGDJFGD-ZACQAIPSSA-N 2 2 371.485 0.670 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044382339 1217841638 /nfs/dbraw/zinc/84/16/38/1217841638.db2.gz JEQUSLLYHLYGSF-CVEARBPZSA-N 2 2 361.490 0.888 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044547140 1217854276 /nfs/dbraw/zinc/85/42/76/1217854276.db2.gz MKBBXMVQQXPDQO-MAZHCROVSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044547140 1217854277 /nfs/dbraw/zinc/85/42/77/1217854277.db2.gz MKBBXMVQQXPDQO-MAZHCROVSA-N 2 2 359.474 0.670 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001045041522 1217895668 /nfs/dbraw/zinc/89/56/68/1217895668.db2.gz UGHZZCIUXKLJSW-HOCLYGCPSA-N 2 2 369.473 0.886 20 0 FCADLP Cc1cnc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001045479163 1217932456 /nfs/dbraw/zinc/93/24/56/1217932456.db2.gz VCAFIJZQISICQO-NVXWUHKLSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001045479163 1217932462 /nfs/dbraw/zinc/93/24/62/1217932462.db2.gz VCAFIJZQISICQO-NVXWUHKLSA-N 2 2 361.490 0.975 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001045478847 1217932880 /nfs/dbraw/zinc/93/28/80/1217932880.db2.gz GTTGPDHHCWZGSO-GDBMZVCRSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001045478847 1217932884 /nfs/dbraw/zinc/93/28/84/1217932884.db2.gz GTTGPDHHCWZGSO-GDBMZVCRSA-N 2 2 366.506 0.297 20 0 FCADLP CN1CC[NH+](CCO[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001224552923 1225784107 /nfs/dbraw/zinc/78/41/07/1225784107.db2.gz UIFSNIVIGTYOJT-DLBZAZTESA-N 2 2 368.522 0.944 20 0 FCADLP CN1CC[NH+](CCO[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001224552923 1225784113 /nfs/dbraw/zinc/78/41/13/1225784113.db2.gz UIFSNIVIGTYOJT-DLBZAZTESA-N 2 2 368.522 0.944 20 0 FCADLP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900670748 1218022166 /nfs/dbraw/zinc/02/21/66/1218022166.db2.gz VWJINBDTSBBWFJ-QGZVFWFLSA-N 3 2 362.522 0.685 20 0 FCADLP CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900670748 1218022172 /nfs/dbraw/zinc/02/21/72/1218022172.db2.gz VWJINBDTSBBWFJ-QGZVFWFLSA-N 3 2 362.522 0.685 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000900701087 1218027481 /nfs/dbraw/zinc/02/74/81/1218027481.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000900701087 1218027486 /nfs/dbraw/zinc/02/74/86/1218027486.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000900701087 1218027491 /nfs/dbraw/zinc/02/74/91/1218027491.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000900701087 1218027494 /nfs/dbraw/zinc/02/74/94/1218027494.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC[NH+]2CCCN(C)CC2)C1 ZINC000900701087 1218027496 /nfs/dbraw/zinc/02/74/96/1218027496.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2CCCN(C)CC2)C1 ZINC000900701087 1218027499 /nfs/dbraw/zinc/02/74/99/1218027499.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2CCCN(C)CC2)C1 ZINC000900701087 1218027504 /nfs/dbraw/zinc/02/75/04/1218027504.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@H+]2CCCN(C)CC2)C1 ZINC000900701087 1218027510 /nfs/dbraw/zinc/02/75/10/1218027510.db2.gz VWFSZKKEKXZSNT-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001096090884 1218029778 /nfs/dbraw/zinc/02/97/78/1218029778.db2.gz ZSJKLSDOFFRPPT-FXUDXRNXSA-N 2 2 359.474 0.959 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001096090884 1218029781 /nfs/dbraw/zinc/02/97/81/1218029781.db2.gz ZSJKLSDOFFRPPT-FXUDXRNXSA-N 2 2 359.474 0.959 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001046385505 1218032120 /nfs/dbraw/zinc/03/21/20/1218032120.db2.gz OPPLTTQOKUEYBO-SPYBWZPUSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001046385505 1218032122 /nfs/dbraw/zinc/03/21/22/1218032122.db2.gz OPPLTTQOKUEYBO-SPYBWZPUSA-N 2 2 355.442 0.993 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420849 1218034700 /nfs/dbraw/zinc/03/47/00/1218034700.db2.gz LUBBECDOVPGTEP-QBIMZIAESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420849 1218034704 /nfs/dbraw/zinc/03/47/04/1218034704.db2.gz LUBBECDOVPGTEP-QBIMZIAESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046420849 1218034708 /nfs/dbraw/zinc/03/47/08/1218034708.db2.gz LUBBECDOVPGTEP-QBIMZIAESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046420849 1218034712 /nfs/dbraw/zinc/03/47/12/1218034712.db2.gz LUBBECDOVPGTEP-QBIMZIAESA-N 2 2 364.494 0.406 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000900867287 1218046974 /nfs/dbraw/zinc/04/69/74/1218046974.db2.gz SCYZOJALQZOIKB-SJORKVTESA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000900867287 1218046979 /nfs/dbraw/zinc/04/69/79/1218046979.db2.gz SCYZOJALQZOIKB-SJORKVTESA-N 2 2 367.490 0.585 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)cn1 ZINC001096140406 1218089806 /nfs/dbraw/zinc/08/98/06/1218089806.db2.gz WXFMHFUTYBKMHA-IKGGRYGDSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)cn1 ZINC001096140406 1218089811 /nfs/dbraw/zinc/08/98/11/1218089811.db2.gz WXFMHFUTYBKMHA-IKGGRYGDSA-N 2 2 374.489 0.058 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048826617 1218321843 /nfs/dbraw/zinc/32/18/43/1218321843.db2.gz KTJKYVIQCVUURN-HSFUPAIVSA-N 2 2 358.486 0.925 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048826617 1218321849 /nfs/dbraw/zinc/32/18/49/1218321849.db2.gz KTJKYVIQCVUURN-HSFUPAIVSA-N 2 2 358.486 0.925 20 0 FCADLP COc1cnc(F)c(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001277044757 1225811392 /nfs/dbraw/zinc/81/13/92/1225811392.db2.gz PUFQTXDLNSZPLE-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP COc1cnc(F)c(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001277044757 1225811397 /nfs/dbraw/zinc/81/13/97/1225811397.db2.gz PUFQTXDLNSZPLE-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049067847 1218374873 /nfs/dbraw/zinc/37/48/73/1218374873.db2.gz AATBJVRQURJYMW-YIDVYQOGSA-N 2 2 357.458 0.145 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001049067847 1218374879 /nfs/dbraw/zinc/37/48/79/1218374879.db2.gz AATBJVRQURJYMW-YIDVYQOGSA-N 2 2 357.458 0.145 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000803672060 1218472231 /nfs/dbraw/zinc/47/22/31/1218472231.db2.gz SBBLGIOARNRKEK-AWEZNQCLSA-N 2 2 364.446 0.160 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000803672060 1218472240 /nfs/dbraw/zinc/47/22/40/1218472240.db2.gz SBBLGIOARNRKEK-AWEZNQCLSA-N 2 2 364.446 0.160 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000803672061 1218473319 /nfs/dbraw/zinc/47/33/19/1218473319.db2.gz SBBLGIOARNRKEK-CQSZACIVSA-N 2 2 364.446 0.160 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000803672061 1218473324 /nfs/dbraw/zinc/47/33/24/1218473324.db2.gz SBBLGIOARNRKEK-CQSZACIVSA-N 2 2 364.446 0.160 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3cnnn3C)C2)C1=O ZINC001277072117 1225823215 /nfs/dbraw/zinc/82/32/15/1225823215.db2.gz LGAFZTOKHXNPJJ-KRWDZBQOSA-N 2 2 357.418 0.090 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](Cc3cnnn3C)C2)C1=O ZINC001277072117 1225823218 /nfs/dbraw/zinc/82/32/18/1225823218.db2.gz LGAFZTOKHXNPJJ-KRWDZBQOSA-N 2 2 357.418 0.090 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)NC2CC2)O1 ZINC001049547471 1218485735 /nfs/dbraw/zinc/48/57/35/1218485735.db2.gz FHRVKWRLCODZFL-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CC(=O)NC2CC2)O1 ZINC001049547471 1218485740 /nfs/dbraw/zinc/48/57/40/1218485740.db2.gz FHRVKWRLCODZFL-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC2CC2)O1 ZINC001049547471 1218485744 /nfs/dbraw/zinc/48/57/44/1218485744.db2.gz FHRVKWRLCODZFL-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC2CC2)O1 ZINC001049547471 1218485750 /nfs/dbraw/zinc/48/57/50/1218485750.db2.gz FHRVKWRLCODZFL-MXASKKJJSA-N 2 2 364.490 0.049 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001096545828 1218486341 /nfs/dbraw/zinc/48/63/41/1218486341.db2.gz PXCGXCCCCYKJJM-OWSLCNJRSA-N 2 2 360.502 0.957 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001096545828 1218486347 /nfs/dbraw/zinc/48/63/47/1218486347.db2.gz PXCGXCCCCYKJJM-OWSLCNJRSA-N 2 2 360.502 0.957 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550069 1218486678 /nfs/dbraw/zinc/48/66/78/1218486678.db2.gz VWJAYSSDJLLZDJ-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550069 1218486684 /nfs/dbraw/zinc/48/66/84/1218486684.db2.gz VWJAYSSDJLLZDJ-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)c2)O1 ZINC001049550069 1218486691 /nfs/dbraw/zinc/48/66/91/1218486691.db2.gz VWJAYSSDJLLZDJ-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)O1 ZINC001049550069 1218486695 /nfs/dbraw/zinc/48/66/95/1218486695.db2.gz VWJAYSSDJLLZDJ-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)n1 ZINC001096914430 1218639159 /nfs/dbraw/zinc/63/91/59/1218639159.db2.gz SYEWMQNZDBIHHO-BDXSIMOUSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001096914430 1218639168 /nfs/dbraw/zinc/63/91/68/1218639168.db2.gz SYEWMQNZDBIHHO-BDXSIMOUSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001096914430 1218639175 /nfs/dbraw/zinc/63/91/75/1218639175.db2.gz SYEWMQNZDBIHHO-BDXSIMOUSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001096914430 1218639180 /nfs/dbraw/zinc/63/91/80/1218639180.db2.gz SYEWMQNZDBIHHO-BDXSIMOUSA-N 2 2 361.490 0.552 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001097430036 1218808168 /nfs/dbraw/zinc/80/81/68/1218808168.db2.gz FEULTMRGDBKOSK-KBXIAJHMSA-N 2 2 360.458 0.142 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001097430036 1218808169 /nfs/dbraw/zinc/80/81/69/1218808169.db2.gz FEULTMRGDBKOSK-KBXIAJHMSA-N 2 2 360.458 0.142 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507925 1218813618 /nfs/dbraw/zinc/81/36/18/1218813618.db2.gz PHNTXDWNOAHSOR-JFOHDYCDSA-N 2 2 368.441 0.737 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507925 1218813619 /nfs/dbraw/zinc/81/36/19/1218813619.db2.gz PHNTXDWNOAHSOR-JFOHDYCDSA-N 2 2 368.441 0.737 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097707048 1218839407 /nfs/dbraw/zinc/83/94/07/1218839407.db2.gz HXNCBIWIDIYZDP-WCXIOVBPSA-N 2 2 362.478 0.109 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097707048 1218839410 /nfs/dbraw/zinc/83/94/10/1218839410.db2.gz HXNCBIWIDIYZDP-WCXIOVBPSA-N 2 2 362.478 0.109 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)C1 ZINC001097707048 1218839412 /nfs/dbraw/zinc/83/94/12/1218839412.db2.gz HXNCBIWIDIYZDP-WCXIOVBPSA-N 2 2 362.478 0.109 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)C1 ZINC001097707048 1218839413 /nfs/dbraw/zinc/83/94/13/1218839413.db2.gz HXNCBIWIDIYZDP-WCXIOVBPSA-N 2 2 362.478 0.109 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097713399 1218840051 /nfs/dbraw/zinc/84/00/51/1218840051.db2.gz VMKKNVDIOXBOCB-NCOADZHNSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097713399 1218840052 /nfs/dbraw/zinc/84/00/52/1218840052.db2.gz VMKKNVDIOXBOCB-NCOADZHNSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001097713399 1218840055 /nfs/dbraw/zinc/84/00/55/1218840055.db2.gz VMKKNVDIOXBOCB-NCOADZHNSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001097713399 1218840056 /nfs/dbraw/zinc/84/00/56/1218840056.db2.gz VMKKNVDIOXBOCB-NCOADZHNSA-N 2 2 364.490 0.049 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052725859 1218860747 /nfs/dbraw/zinc/86/07/47/1218860747.db2.gz XABJBSFCEPVLPB-FVQBIDKESA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001052725859 1218860748 /nfs/dbraw/zinc/86/07/48/1218860748.db2.gz XABJBSFCEPVLPB-FVQBIDKESA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1Nc1ncccn1 ZINC001052741061 1218862643 /nfs/dbraw/zinc/86/26/43/1218862643.db2.gz BZMJSIMKNGFXOJ-INMHGKMJSA-N 2 2 369.473 0.957 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145874 1225851625 /nfs/dbraw/zinc/85/16/25/1225851625.db2.gz DEWHUCNNECBGTN-KRWDZBQOSA-N 2 2 358.402 0.388 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145874 1225851626 /nfs/dbraw/zinc/85/16/26/1225851626.db2.gz DEWHUCNNECBGTN-KRWDZBQOSA-N 2 2 358.402 0.388 20 0 FCADLP CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052990420 1218870278 /nfs/dbraw/zinc/87/02/78/1218870278.db2.gz CKKASRQESUACQN-HCXYKTFWSA-N 2 2 365.518 0.933 20 0 FCADLP CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052990420 1218870280 /nfs/dbraw/zinc/87/02/80/1218870280.db2.gz CKKASRQESUACQN-HCXYKTFWSA-N 2 2 365.518 0.933 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCCO4)C3)C2)O1 ZINC001053304916 1218879603 /nfs/dbraw/zinc/87/96/03/1218879603.db2.gz SXMSEPVZMOUJSL-BRWVUGGUSA-N 2 2 367.490 0.188 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@H]4CCCO4)C3)C2)O1 ZINC001053304916 1218879604 /nfs/dbraw/zinc/87/96/04/1218879604.db2.gz SXMSEPVZMOUJSL-BRWVUGGUSA-N 2 2 367.490 0.188 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC3(CN(Cc4c[nH+]cn4C)C3)O2)CC[N@@H+]1C ZINC001053603165 1218888106 /nfs/dbraw/zinc/88/81/06/1218888106.db2.gz OTACBTRAIAQPGE-HYVNUMGLSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC3(CN(Cc4c[nH+]cn4C)C3)O2)CC[N@H+]1C ZINC001053603165 1218888108 /nfs/dbraw/zinc/88/81/08/1218888108.db2.gz OTACBTRAIAQPGE-HYVNUMGLSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001054410830 1218918970 /nfs/dbraw/zinc/91/89/70/1218918970.db2.gz YNFGXLDXPOQUNK-HZSPNIEDSA-N 2 2 357.462 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001054410830 1218918974 /nfs/dbraw/zinc/91/89/74/1218918974.db2.gz YNFGXLDXPOQUNK-HZSPNIEDSA-N 2 2 357.462 0.821 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)c[nH+]1 ZINC001227019698 1225861463 /nfs/dbraw/zinc/86/14/63/1225861463.db2.gz YKKGHKHKIFCWSS-CHWSQXEVSA-N 2 2 364.450 0.139 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)C2 ZINC001227164768 1225864586 /nfs/dbraw/zinc/86/45/86/1225864586.db2.gz GJGRLIWALYOOCO-RBSFLKMASA-N 2 2 361.490 0.928 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)CC2 ZINC001227164768 1225864589 /nfs/dbraw/zinc/86/45/89/1225864589.db2.gz GJGRLIWALYOOCO-RBSFLKMASA-N 2 2 361.490 0.928 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)C2 ZINC001227164772 1225864762 /nfs/dbraw/zinc/86/47/62/1225864762.db2.gz GJGRLIWALYOOCO-RRFJBIMHSA-N 2 2 361.490 0.928 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)CC2 ZINC001227164772 1225864764 /nfs/dbraw/zinc/86/47/64/1225864764.db2.gz GJGRLIWALYOOCO-RRFJBIMHSA-N 2 2 361.490 0.928 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001055462912 1219052973 /nfs/dbraw/zinc/05/29/73/1219052973.db2.gz BXWRALRPIZZTDH-DFMBRWPFSA-N 2 2 369.473 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001055462912 1219052974 /nfs/dbraw/zinc/05/29/74/1219052974.db2.gz BXWRALRPIZZTDH-DFMBRWPFSA-N 2 2 369.473 0.929 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3(C)CC3)CC2)O1 ZINC001055595551 1219094746 /nfs/dbraw/zinc/09/47/46/1219094746.db2.gz ZBFFZFIZOVVZDX-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3(C)CC3)CC2)O1 ZINC001055595551 1219094750 /nfs/dbraw/zinc/09/47/50/1219094750.db2.gz ZBFFZFIZOVVZDX-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113152 1219117814 /nfs/dbraw/zinc/11/78/14/1219117814.db2.gz JYXDVGAAGQSBDM-NCOADZHNSA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113152 1219117822 /nfs/dbraw/zinc/11/78/22/1219117822.db2.gz JYXDVGAAGQSBDM-NCOADZHNSA-N 2 2 368.441 0.866 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070076042 1219144418 /nfs/dbraw/zinc/14/44/18/1219144418.db2.gz HOXRCSAZWLAGTH-SJORKVTESA-N 2 2 367.457 0.311 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070076042 1219144420 /nfs/dbraw/zinc/14/44/20/1219144420.db2.gz HOXRCSAZWLAGTH-SJORKVTESA-N 2 2 367.457 0.311 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070095136 1219165646 /nfs/dbraw/zinc/16/56/46/1219165646.db2.gz XLRCMFQATHEROK-BBWFWOEESA-N 2 2 362.478 0.285 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001070095136 1219165652 /nfs/dbraw/zinc/16/56/52/1219165652.db2.gz XLRCMFQATHEROK-BBWFWOEESA-N 2 2 362.478 0.285 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096422 1219167234 /nfs/dbraw/zinc/16/72/34/1219167234.db2.gz ZAEJIGYVFKPIPB-OIISXLGYSA-N 2 2 355.446 0.167 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096422 1219167240 /nfs/dbraw/zinc/16/72/40/1219167240.db2.gz ZAEJIGYVFKPIPB-OIISXLGYSA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096422 1219167245 /nfs/dbraw/zinc/16/72/45/1219167245.db2.gz ZAEJIGYVFKPIPB-OIISXLGYSA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070096422 1219167248 /nfs/dbraw/zinc/16/72/48/1219167248.db2.gz ZAEJIGYVFKPIPB-OIISXLGYSA-N 2 2 355.446 0.167 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220671 1219302395 /nfs/dbraw/zinc/30/23/95/1219302395.db2.gz MHQMEQVKWCOOQW-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070221066 1219303496 /nfs/dbraw/zinc/30/34/96/1219303496.db2.gz VVNLUFOYIPQSCC-XHSDSOJGSA-N 2 2 357.462 0.735 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001070234992 1219310826 /nfs/dbraw/zinc/31/08/26/1219310826.db2.gz SKGLPKZZTAJBJC-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP CC1CC(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2n2ccnn2)C1 ZINC001070247171 1219317667 /nfs/dbraw/zinc/31/76/67/1219317667.db2.gz FXDMPQWDMHFSPZ-BACDZXNISA-N 2 2 357.462 0.953 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1 ZINC001070302819 1219361073 /nfs/dbraw/zinc/36/10/73/1219361073.db2.gz HINISUFHGAEYCM-CABCVRRESA-N 2 2 371.470 0.890 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070310271 1219367411 /nfs/dbraw/zinc/36/74/11/1219367411.db2.gz RIJRTUOYKBGTKA-CVEARBPZSA-N 2 2 370.392 0.484 20 0 FCADLP CC1CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2n2ccnn2)C1 ZINC001070311362 1219368956 /nfs/dbraw/zinc/36/89/56/1219368956.db2.gz ZFCDOIJVTQUTDJ-MMADZMRASA-N 2 2 357.462 0.642 20 0 FCADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070328365 1219379310 /nfs/dbraw/zinc/37/93/10/1219379310.db2.gz ZBUWKCLVWVZKKM-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227848645 1225888102 /nfs/dbraw/zinc/88/81/02/1225888102.db2.gz RMDCMRMBQNTBID-BFHYXJOUSA-N 2 2 364.450 0.134 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001070336957 1219385022 /nfs/dbraw/zinc/38/50/22/1219385022.db2.gz DPCOTYAYDADCEM-SJORKVTESA-N 2 2 369.404 0.856 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953835 1225891869 /nfs/dbraw/zinc/89/18/69/1225891869.db2.gz MNFYDLKQCXLZGG-RHSMWYFYSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953835 1225891870 /nfs/dbraw/zinc/89/18/70/1225891870.db2.gz MNFYDLKQCXLZGG-RHSMWYFYSA-N 2 2 368.522 0.591 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954612 1225891944 /nfs/dbraw/zinc/89/19/44/1225891944.db2.gz WBABGXDMBCCNBE-BFYDXBDKSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954612 1225891945 /nfs/dbraw/zinc/89/19/45/1225891945.db2.gz WBABGXDMBCCNBE-BFYDXBDKSA-N 2 2 368.522 0.543 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2[NH2+]CCO)c1 ZINC001070513588 1219448518 /nfs/dbraw/zinc/44/85/18/1219448518.db2.gz XIBHMTGKDFEUKK-DZGCQCFKSA-N 2 2 354.414 0.258 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)C1 ZINC001070525920 1219453906 /nfs/dbraw/zinc/45/39/06/1219453906.db2.gz HHAAJNHDXDJORR-USXIJHARSA-N 2 2 367.469 0.383 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCF)C2)C1 ZINC001070525920 1219453907 /nfs/dbraw/zinc/45/39/07/1219453907.db2.gz HHAAJNHDXDJORR-USXIJHARSA-N 2 2 367.469 0.383 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001070534643 1219457472 /nfs/dbraw/zinc/45/74/72/1219457472.db2.gz FYZLXPHYAKNETL-IMJJTQAJSA-N 2 2 361.450 0.228 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc4ccccn4n3)C2)OCC1=O ZINC001277279744 1225900259 /nfs/dbraw/zinc/90/02/59/1225900259.db2.gz LUSSMAOGCDXUOF-LJQANCHMSA-N 2 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc4ccccn4n3)C2)OCC1=O ZINC001277279744 1225900263 /nfs/dbraw/zinc/90/02/63/1225900263.db2.gz LUSSMAOGCDXUOF-LJQANCHMSA-N 2 2 357.458 0.699 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001070919268 1219573413 /nfs/dbraw/zinc/57/34/13/1219573413.db2.gz CYWUDRVBJDMUMM-OAGGEKHMSA-N 2 2 359.430 0.468 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070919268 1219573415 /nfs/dbraw/zinc/57/34/15/1219573415.db2.gz CYWUDRVBJDMUMM-OAGGEKHMSA-N 2 2 359.430 0.468 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919784 1219575087 /nfs/dbraw/zinc/57/50/87/1219575087.db2.gz ULMUPAUDJRLCEK-OAGGEKHMSA-N 2 2 361.446 0.714 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919784 1219575089 /nfs/dbraw/zinc/57/50/89/1219575089.db2.gz ULMUPAUDJRLCEK-OAGGEKHMSA-N 2 2 361.446 0.714 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001070927266 1219584513 /nfs/dbraw/zinc/58/45/13/1219584513.db2.gz WLBIBSBTQLHIHN-OAGGEKHMSA-N 2 2 359.430 0.399 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070927266 1219584517 /nfs/dbraw/zinc/58/45/17/1219584517.db2.gz WLBIBSBTQLHIHN-OAGGEKHMSA-N 2 2 359.430 0.399 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001071052311 1219595022 /nfs/dbraw/zinc/59/50/22/1219595022.db2.gz QBXXXLIBBFXSRF-MRRJBJDNSA-N 2 2 363.462 0.202 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849520 1219625107 /nfs/dbraw/zinc/62/51/07/1219625107.db2.gz FLYCOZGBKISWRA-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849520 1219625109 /nfs/dbraw/zinc/62/51/09/1219625109.db2.gz FLYCOZGBKISWRA-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1nnc([C@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849520 1219625110 /nfs/dbraw/zinc/62/51/10/1219625110.db2.gz FLYCOZGBKISWRA-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1nnc([C@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849520 1219625113 /nfs/dbraw/zinc/62/51/13/1219625113.db2.gz FLYCOZGBKISWRA-VNHYZAJKSA-N 2 2 363.462 0.692 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072996015 1219630528 /nfs/dbraw/zinc/63/05/28/1219630528.db2.gz KFRFHONVVVHTIK-FVQBIDKESA-N 2 2 371.485 0.725 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072996015 1219630532 /nfs/dbraw/zinc/63/05/32/1219630532.db2.gz KFRFHONVVVHTIK-FVQBIDKESA-N 2 2 371.485 0.725 20 0 FCADLP CCn1nncc1C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611337 1219673714 /nfs/dbraw/zinc/67/37/14/1219673714.db2.gz UPKXLRZXAVIDRR-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611337 1219673715 /nfs/dbraw/zinc/67/37/15/1219673715.db2.gz UPKXLRZXAVIDRR-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611337 1219673717 /nfs/dbraw/zinc/67/37/17/1219673717.db2.gz UPKXLRZXAVIDRR-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611337 1219673719 /nfs/dbraw/zinc/67/37/19/1219673719.db2.gz UPKXLRZXAVIDRR-HYVNUMGLSA-N 2 2 364.494 0.345 20 0 FCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709517 1219678106 /nfs/dbraw/zinc/67/81/06/1219678106.db2.gz YMLAKCCWMBARDG-KURKYZTESA-N 2 2 369.506 0.482 20 0 FCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001073709517 1219678109 /nfs/dbraw/zinc/67/81/09/1219678109.db2.gz YMLAKCCWMBARDG-KURKYZTESA-N 2 2 369.506 0.482 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)nn1 ZINC001074709690 1219717853 /nfs/dbraw/zinc/71/78/53/1219717853.db2.gz MNYBCFMWTDSVJW-YQFWSFKMSA-N 2 2 364.494 0.657 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)nn1 ZINC001074709690 1219717856 /nfs/dbraw/zinc/71/78/56/1219717856.db2.gz MNYBCFMWTDSVJW-YQFWSFKMSA-N 2 2 364.494 0.657 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001098230258 1219745237 /nfs/dbraw/zinc/74/52/37/1219745237.db2.gz CFBHLCAETLIABF-QIJZBDPFSA-N 2 2 357.458 0.761 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001098230258 1219745241 /nfs/dbraw/zinc/74/52/41/1219745241.db2.gz CFBHLCAETLIABF-QIJZBDPFSA-N 2 2 357.458 0.761 20 0 FCADLP COc1coc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098394058 1219772379 /nfs/dbraw/zinc/77/23/79/1219772379.db2.gz JIJLCNXIJCNMCL-XNISGKROSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098394058 1219772381 /nfs/dbraw/zinc/77/23/81/1219772381.db2.gz JIJLCNXIJCNMCL-XNISGKROSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001098394058 1219772383 /nfs/dbraw/zinc/77/23/83/1219772383.db2.gz JIJLCNXIJCNMCL-XNISGKROSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001098394058 1219772384 /nfs/dbraw/zinc/77/23/84/1219772384.db2.gz JIJLCNXIJCNMCL-XNISGKROSA-N 2 2 361.442 0.822 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001098407467 1219775212 /nfs/dbraw/zinc/77/52/12/1219775212.db2.gz IYKJATIUHGEILR-NCOADZHNSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C(C)C)C1=O ZINC001098407467 1219775216 /nfs/dbraw/zinc/77/52/16/1219775216.db2.gz IYKJATIUHGEILR-NCOADZHNSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)ncn1 ZINC001098773231 1219824400 /nfs/dbraw/zinc/82/44/00/1219824400.db2.gz AVDMHQRGGPGYSG-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)ncn1 ZINC001098773231 1219824404 /nfs/dbraw/zinc/82/44/04/1219824404.db2.gz AVDMHQRGGPGYSG-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001098773231 1219824407 /nfs/dbraw/zinc/82/44/07/1219824407.db2.gz AVDMHQRGGPGYSG-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001098773231 1219824410 /nfs/dbraw/zinc/82/44/10/1219824410.db2.gz AVDMHQRGGPGYSG-IEZWGBDMSA-N 2 2 359.474 0.586 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)NC1CC1 ZINC001098909391 1219858922 /nfs/dbraw/zinc/85/89/22/1219858922.db2.gz PSIZCCDNMBKKNQ-SIFCLUCFSA-N 2 2 371.485 0.695 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)NC1CC1 ZINC001098909391 1219858925 /nfs/dbraw/zinc/85/89/25/1219858925.db2.gz PSIZCCDNMBKKNQ-SIFCLUCFSA-N 2 2 371.485 0.695 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001098946235 1219871698 /nfs/dbraw/zinc/87/16/98/1219871698.db2.gz IGCYCTWSDSAIGW-LPHOPBHVSA-N 2 2 359.474 0.785 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001098946235 1219871699 /nfs/dbraw/zinc/87/16/99/1219871699.db2.gz IGCYCTWSDSAIGW-LPHOPBHVSA-N 2 2 359.474 0.785 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098315 1219911820 /nfs/dbraw/zinc/91/18/20/1219911820.db2.gz YDNUQVBRDSWGEL-KXBFYZLASA-N 2 2 368.441 0.598 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098315 1219911823 /nfs/dbraw/zinc/91/18/23/1219911823.db2.gz YDNUQVBRDSWGEL-KXBFYZLASA-N 2 2 368.441 0.598 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001099138149 1219925360 /nfs/dbraw/zinc/92/53/60/1219925360.db2.gz UFPGQGXDBWTKEP-GMBSWORKSA-N 2 2 359.474 0.852 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001099138149 1219925366 /nfs/dbraw/zinc/92/53/66/1219925366.db2.gz UFPGQGXDBWTKEP-GMBSWORKSA-N 2 2 359.474 0.852 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099159661 1219935671 /nfs/dbraw/zinc/93/56/71/1219935671.db2.gz HQCORTUEAJSPDZ-GLJUWKHASA-N 2 2 363.462 0.638 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001099159661 1219935675 /nfs/dbraw/zinc/93/56/75/1219935675.db2.gz HQCORTUEAJSPDZ-GLJUWKHASA-N 2 2 363.462 0.638 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001099159661 1219935680 /nfs/dbraw/zinc/93/56/80/1219935680.db2.gz HQCORTUEAJSPDZ-GLJUWKHASA-N 2 2 363.462 0.638 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099159661 1219935685 /nfs/dbraw/zinc/93/56/85/1219935685.db2.gz HQCORTUEAJSPDZ-GLJUWKHASA-N 2 2 363.462 0.638 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnn(C)c2)C3)C1 ZINC001099170040 1219938392 /nfs/dbraw/zinc/93/83/92/1219938392.db2.gz CIQGANQPBKWYOP-SCTDSRPQSA-N 2 2 361.490 0.612 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnn(C)c2)C3)C1 ZINC001099170040 1219938397 /nfs/dbraw/zinc/93/83/97/1219938397.db2.gz CIQGANQPBKWYOP-SCTDSRPQSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnn(C)c2)C3)C1 ZINC001099170040 1219938402 /nfs/dbraw/zinc/93/84/02/1219938402.db2.gz CIQGANQPBKWYOP-SCTDSRPQSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnn(C)c2)C3)C1 ZINC001099170040 1219938406 /nfs/dbraw/zinc/93/84/06/1219938406.db2.gz CIQGANQPBKWYOP-SCTDSRPQSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001099403800 1219983359 /nfs/dbraw/zinc/98/33/59/1219983359.db2.gz PTVNZSDKXUHINC-BXWFABGCSA-N 2 2 361.490 0.469 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001099403800 1219983370 /nfs/dbraw/zinc/98/33/70/1219983370.db2.gz PTVNZSDKXUHINC-BXWFABGCSA-N 2 2 361.490 0.469 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001099506153 1220017930 /nfs/dbraw/zinc/01/79/30/1220017930.db2.gz LSIWWSLJAISEEW-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP CCn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]cn2C)C3)n1 ZINC001099525850 1220023554 /nfs/dbraw/zinc/02/35/54/1220023554.db2.gz CNWCYDFHWBECTM-KXBFYZLASA-N 2 2 371.489 0.993 20 0 FCADLP CCc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)n1C ZINC001099543349 1220027972 /nfs/dbraw/zinc/02/79/72/1220027972.db2.gz YUQITWSDTITEAS-KXBFYZLASA-N 2 2 371.489 0.993 20 0 FCADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228853046 1225958713 /nfs/dbraw/zinc/95/87/13/1225958713.db2.gz NUSKYUWWSBHHRP-BFHYXJOUSA-N 2 2 364.450 0.307 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101345143 1220296668 /nfs/dbraw/zinc/29/66/68/1220296668.db2.gz VWKPXFKFAHNWLE-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101345143 1220296672 /nfs/dbraw/zinc/29/66/72/1220296672.db2.gz VWKPXFKFAHNWLE-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403350 1220325270 /nfs/dbraw/zinc/32/52/70/1220325270.db2.gz CVMGULDWBXMLLR-KDOFPFPSSA-N 2 2 362.478 0.440 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403350 1220325273 /nfs/dbraw/zinc/32/52/73/1220325273.db2.gz CVMGULDWBXMLLR-KDOFPFPSSA-N 2 2 362.478 0.440 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469174 1220363887 /nfs/dbraw/zinc/36/38/87/1220363887.db2.gz FFNDCGPAXOTBMG-MDZRGWNJSA-N 2 2 366.506 0.012 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469174 1220363891 /nfs/dbraw/zinc/36/38/91/1220363891.db2.gz FFNDCGPAXOTBMG-MDZRGWNJSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469174 1220363893 /nfs/dbraw/zinc/36/38/93/1220363893.db2.gz FFNDCGPAXOTBMG-MDZRGWNJSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(C)C)C[C@@]3(C)C2)C1 ZINC001101469174 1220363897 /nfs/dbraw/zinc/36/38/97/1220363897.db2.gz FFNDCGPAXOTBMG-MDZRGWNJSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487985 1220371050 /nfs/dbraw/zinc/37/10/50/1220371050.db2.gz FOPBAIGYPXJEQY-FCEWJHQRSA-N 2 2 361.490 0.824 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487985 1220371055 /nfs/dbraw/zinc/37/10/55/1220371055.db2.gz FOPBAIGYPXJEQY-FCEWJHQRSA-N 2 2 361.490 0.824 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488208 1220373018 /nfs/dbraw/zinc/37/30/18/1220373018.db2.gz RMSGRLHVAZUUQO-FCEWJHQRSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488208 1220373020 /nfs/dbraw/zinc/37/30/20/1220373020.db2.gz RMSGRLHVAZUUQO-FCEWJHQRSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102031241 1220471227 /nfs/dbraw/zinc/47/12/27/1220471227.db2.gz ZDVZLOLVXPKGMS-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102031241 1220471229 /nfs/dbraw/zinc/47/12/29/1220471229.db2.gz ZDVZLOLVXPKGMS-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102031241 1220471232 /nfs/dbraw/zinc/47/12/32/1220471232.db2.gz ZDVZLOLVXPKGMS-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102031241 1220471235 /nfs/dbraw/zinc/47/12/35/1220471235.db2.gz ZDVZLOLVXPKGMS-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102045106 1220476250 /nfs/dbraw/zinc/47/62/50/1220476250.db2.gz RTKMXYFGAXFZTI-INMHGKMJSA-N 2 2 360.462 0.686 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102045106 1220476252 /nfs/dbraw/zinc/47/62/52/1220476252.db2.gz RTKMXYFGAXFZTI-INMHGKMJSA-N 2 2 360.462 0.686 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102104518 1220498026 /nfs/dbraw/zinc/49/80/26/1220498026.db2.gz ZWJZFBCSVIVQJI-ZIAGYGMSSA-N 2 2 363.510 0.922 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102104518 1220498035 /nfs/dbraw/zinc/49/80/35/1220498035.db2.gz ZWJZFBCSVIVQJI-ZIAGYGMSSA-N 2 2 363.510 0.922 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102104518 1220498042 /nfs/dbraw/zinc/49/80/42/1220498042.db2.gz ZWJZFBCSVIVQJI-ZIAGYGMSSA-N 2 2 363.510 0.922 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102104518 1220498049 /nfs/dbraw/zinc/49/80/49/1220498049.db2.gz ZWJZFBCSVIVQJI-ZIAGYGMSSA-N 2 2 363.510 0.922 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102157402 1220528422 /nfs/dbraw/zinc/52/84/22/1220528422.db2.gz HXOHIRVRIHYJDF-TZMCWYRMSA-N 2 2 360.418 0.502 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102157402 1220528425 /nfs/dbraw/zinc/52/84/25/1220528425.db2.gz HXOHIRVRIHYJDF-TZMCWYRMSA-N 2 2 360.418 0.502 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174518 1220535146 /nfs/dbraw/zinc/53/51/46/1220535146.db2.gz XSMTUKGIZHLVIE-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174518 1220535154 /nfs/dbraw/zinc/53/51/54/1220535154.db2.gz XSMTUKGIZHLVIE-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102286972 1220573973 /nfs/dbraw/zinc/57/39/73/1220573973.db2.gz HENHMVWQVPKZHP-HUUCEWRRSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102286972 1220573981 /nfs/dbraw/zinc/57/39/81/1220573981.db2.gz HENHMVWQVPKZHP-HUUCEWRRSA-N 2 2 363.510 0.780 20 0 FCADLP CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](C)C1 ZINC001102314582 1220583024 /nfs/dbraw/zinc/58/30/24/1220583024.db2.gz QMXUDZFAAXKTPZ-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](C)C1 ZINC001102314582 1220583027 /nfs/dbraw/zinc/58/30/27/1220583027.db2.gz QMXUDZFAAXKTPZ-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](C)C1 ZINC001102314582 1220583034 /nfs/dbraw/zinc/58/30/34/1220583034.db2.gz QMXUDZFAAXKTPZ-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](C)C1 ZINC001102314582 1220583039 /nfs/dbraw/zinc/58/30/39/1220583039.db2.gz QMXUDZFAAXKTPZ-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406170 1220612543 /nfs/dbraw/zinc/61/25/43/1220612543.db2.gz FZAFOPIGFJMEJS-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406170 1220612546 /nfs/dbraw/zinc/61/25/46/1220612546.db2.gz FZAFOPIGFJMEJS-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455997 1220629993 /nfs/dbraw/zinc/62/99/93/1220629993.db2.gz DRSQYSSILPZAJM-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455997 1220630000 /nfs/dbraw/zinc/63/00/00/1220630000.db2.gz DRSQYSSILPZAJM-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455997 1220630005 /nfs/dbraw/zinc/63/00/05/1220630005.db2.gz DRSQYSSILPZAJM-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455997 1220630012 /nfs/dbraw/zinc/63/00/12/1220630012.db2.gz DRSQYSSILPZAJM-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102473637 1220643905 /nfs/dbraw/zinc/64/39/05/1220643905.db2.gz JLJCHTLILYWNEI-HUUCEWRRSA-N 2 2 364.494 0.334 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1C ZINC001102473637 1220643907 /nfs/dbraw/zinc/64/39/07/1220643907.db2.gz JLJCHTLILYWNEI-HUUCEWRRSA-N 2 2 364.494 0.334 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)n1 ZINC001229142449 1225983722 /nfs/dbraw/zinc/98/37/22/1225983722.db2.gz UCTSARDYYGBQJN-IAGOWNOFSA-N 2 2 364.494 0.537 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511248 1220670508 /nfs/dbraw/zinc/67/05/08/1220670508.db2.gz PEALNVKHTMFBAF-HUUCEWRRSA-N 2 2 370.473 0.010 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511248 1220670513 /nfs/dbraw/zinc/67/05/13/1220670513.db2.gz PEALNVKHTMFBAF-HUUCEWRRSA-N 2 2 370.473 0.010 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512997 1220672121 /nfs/dbraw/zinc/67/21/21/1220672121.db2.gz OIZSITFWPBZYFH-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512997 1220672125 /nfs/dbraw/zinc/67/21/25/1220672125.db2.gz OIZSITFWPBZYFH-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513727 1220672161 /nfs/dbraw/zinc/67/21/61/1220672161.db2.gz ZAFXKNVZCLYGDD-UKRRQHHQSA-N 2 2 364.494 0.444 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513727 1220672164 /nfs/dbraw/zinc/67/21/64/1220672164.db2.gz ZAFXKNVZCLYGDD-UKRRQHHQSA-N 2 2 364.494 0.444 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)nn1 ZINC001102513026 1220672182 /nfs/dbraw/zinc/67/21/82/1220672182.db2.gz PYWKYEIRDNKBEW-ZIAGYGMSSA-N 2 2 358.446 0.646 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)nn1 ZINC001102513026 1220672185 /nfs/dbraw/zinc/67/21/85/1220672185.db2.gz PYWKYEIRDNKBEW-ZIAGYGMSSA-N 2 2 358.446 0.646 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514637 1220673231 /nfs/dbraw/zinc/67/32/31/1220673231.db2.gz GURHXSFMQUBVFI-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514637 1220673236 /nfs/dbraw/zinc/67/32/36/1220673236.db2.gz GURHXSFMQUBVFI-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524835 1220680665 /nfs/dbraw/zinc/68/06/65/1220680665.db2.gz ZBFYNYSBLVMKJI-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524835 1220680666 /nfs/dbraw/zinc/68/06/66/1220680666.db2.gz ZBFYNYSBLVMKJI-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524835 1220680668 /nfs/dbraw/zinc/68/06/68/1220680668.db2.gz ZBFYNYSBLVMKJI-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524835 1220680671 /nfs/dbraw/zinc/68/06/71/1220680671.db2.gz ZBFYNYSBLVMKJI-HZPDHXFCSA-N 2 2 365.526 0.999 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538534 1220687422 /nfs/dbraw/zinc/68/74/22/1220687422.db2.gz FZFBURUTRONXMU-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538534 1220687426 /nfs/dbraw/zinc/68/74/26/1220687426.db2.gz FZFBURUTRONXMU-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580004 1220703341 /nfs/dbraw/zinc/70/33/41/1220703341.db2.gz APDXPNCPCWHXTM-TZMCWYRMSA-N 2 2 362.434 0.605 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580004 1220703349 /nfs/dbraw/zinc/70/33/49/1220703349.db2.gz APDXPNCPCWHXTM-TZMCWYRMSA-N 2 2 362.434 0.605 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615476 1220735381 /nfs/dbraw/zinc/73/53/81/1220735381.db2.gz CKOCPKUACUJCEF-OWCLPIDISA-N 2 2 365.478 0.108 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615476 1220735383 /nfs/dbraw/zinc/73/53/83/1220735383.db2.gz CKOCPKUACUJCEF-OWCLPIDISA-N 2 2 365.478 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001103011845 1220819281 /nfs/dbraw/zinc/81/92/81/1220819281.db2.gz UCLYIMRORMVTCO-IOASZLSFSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001103011845 1220819282 /nfs/dbraw/zinc/81/92/82/1220819282.db2.gz UCLYIMRORMVTCO-IOASZLSFSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001103011845 1220819284 /nfs/dbraw/zinc/81/92/84/1220819284.db2.gz UCLYIMRORMVTCO-IOASZLSFSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001103011845 1220819286 /nfs/dbraw/zinc/81/92/86/1220819286.db2.gz UCLYIMRORMVTCO-IOASZLSFSA-N 2 2 362.478 0.350 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103309487 1220864704 /nfs/dbraw/zinc/86/47/04/1220864704.db2.gz ZARDTQQTWYXRGV-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103309487 1220864705 /nfs/dbraw/zinc/86/47/05/1220864705.db2.gz ZARDTQQTWYXRGV-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229301002 1225998689 /nfs/dbraw/zinc/99/86/89/1225998689.db2.gz ITXXRMXUKKBRIN-YNEHKIRRSA-N 2 2 364.450 0.203 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497478 1220890733 /nfs/dbraw/zinc/89/07/33/1220890733.db2.gz IIMSNSSKSILWEG-GDBMZVCRSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497478 1220890734 /nfs/dbraw/zinc/89/07/34/1220890734.db2.gz IIMSNSSKSILWEG-GDBMZVCRSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537155 1220897078 /nfs/dbraw/zinc/89/70/78/1220897078.db2.gz WCHKGEYADJMYEW-HZPDHXFCSA-N 2 2 364.494 0.112 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537155 1220897082 /nfs/dbraw/zinc/89/70/82/1220897082.db2.gz WCHKGEYADJMYEW-HZPDHXFCSA-N 2 2 364.494 0.112 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103676908 1220934827 /nfs/dbraw/zinc/93/48/27/1220934827.db2.gz ACMWWVOPGLSBMC-UKRRQHHQSA-N 2 2 362.478 0.360 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001103676908 1220934833 /nfs/dbraw/zinc/93/48/33/1220934833.db2.gz ACMWWVOPGLSBMC-UKRRQHHQSA-N 2 2 362.478 0.360 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688326 1220939703 /nfs/dbraw/zinc/93/97/03/1220939703.db2.gz XJJLIKJFISWGTA-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688326 1220939704 /nfs/dbraw/zinc/93/97/04/1220939704.db2.gz XJJLIKJFISWGTA-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688206 1220940246 /nfs/dbraw/zinc/94/02/46/1220940246.db2.gz PNUYXTASNLNTIA-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688206 1220940253 /nfs/dbraw/zinc/94/02/53/1220940253.db2.gz PNUYXTASNLNTIA-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740524 1220958759 /nfs/dbraw/zinc/95/87/59/1220958759.db2.gz KWXNVLOEQYXMQP-BMFZPTHFSA-N 2 2 364.494 0.408 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740524 1220958763 /nfs/dbraw/zinc/95/87/63/1220958763.db2.gz KWXNVLOEQYXMQP-BMFZPTHFSA-N 2 2 364.494 0.408 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740524 1220958769 /nfs/dbraw/zinc/95/87/69/1220958769.db2.gz KWXNVLOEQYXMQP-BMFZPTHFSA-N 2 2 364.494 0.408 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)C1 ZINC001103740524 1220958773 /nfs/dbraw/zinc/95/87/73/1220958773.db2.gz KWXNVLOEQYXMQP-BMFZPTHFSA-N 2 2 364.494 0.408 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)nc1 ZINC001104033784 1221001806 /nfs/dbraw/zinc/00/18/06/1221001806.db2.gz HFBCHMFLNWGXPE-BRWVUGGUSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)nc1 ZINC001104033784 1221001809 /nfs/dbraw/zinc/00/18/09/1221001809.db2.gz HFBCHMFLNWGXPE-BRWVUGGUSA-N 2 2 361.490 0.690 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104133321 1221011984 /nfs/dbraw/zinc/01/19/84/1221011984.db2.gz RYKUYZGEHTWJDP-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678575 1221062087 /nfs/dbraw/zinc/06/20/87/1221062087.db2.gz LIQLWMCVQCNHRH-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678575 1221062089 /nfs/dbraw/zinc/06/20/89/1221062089.db2.gz LIQLWMCVQCNHRH-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678575 1221062093 /nfs/dbraw/zinc/06/20/93/1221062093.db2.gz LIQLWMCVQCNHRH-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678575 1221062096 /nfs/dbraw/zinc/06/20/96/1221062096.db2.gz LIQLWMCVQCNHRH-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001229473055 1226013375 /nfs/dbraw/zinc/01/33/75/1226013375.db2.gz YMKKSLPHBRXHGG-HZPDHXFCSA-N 2 2 370.457 0.986 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCCN(C=O)CC3)cc2)CC1 ZINC000781568260 1221082368 /nfs/dbraw/zinc/08/23/68/1221082368.db2.gz CZCJBLFPAYNCMY-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCN(C=O)CC3)cc2)CC1 ZINC000781568260 1221082374 /nfs/dbraw/zinc/08/23/74/1221082374.db2.gz CZCJBLFPAYNCMY-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816095 1221124423 /nfs/dbraw/zinc/12/44/23/1221124423.db2.gz NLLYWNMFWJHPSV-KXBFYZLASA-N 2 2 361.490 0.802 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816095 1221124427 /nfs/dbraw/zinc/12/44/27/1221124427.db2.gz NLLYWNMFWJHPSV-KXBFYZLASA-N 2 2 361.490 0.802 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001111816283 1221124716 /nfs/dbraw/zinc/12/47/16/1221124716.db2.gz YTQIFIRATFKMTI-YJBOKZPZSA-N 2 2 357.462 0.615 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111816283 1221124719 /nfs/dbraw/zinc/12/47/19/1221124719.db2.gz YTQIFIRATFKMTI-YJBOKZPZSA-N 2 2 357.462 0.615 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111825227 1221127927 /nfs/dbraw/zinc/12/79/27/1221127927.db2.gz UFPASOFWCFULQO-LPHOPBHVSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111825227 1221127929 /nfs/dbraw/zinc/12/79/29/1221127929.db2.gz UFPASOFWCFULQO-LPHOPBHVSA-N 2 2 359.474 0.770 20 0 FCADLP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(N(C)C)no1)C2)[NH+](C)C ZINC001111875228 1221147093 /nfs/dbraw/zinc/14/70/93/1221147093.db2.gz UIKIZMJEURLBRN-DEYYWGMASA-N 2 2 364.494 0.947 20 0 FCADLP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(N(C)C)no1)C2)[NH+](C)C ZINC001111875228 1221147094 /nfs/dbraw/zinc/14/70/94/1221147094.db2.gz UIKIZMJEURLBRN-DEYYWGMASA-N 2 2 364.494 0.947 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000783995372 1221227562 /nfs/dbraw/zinc/22/75/62/1221227562.db2.gz NGBNNJHREKYTQB-YFHUEUNASA-N 2 2 361.490 0.877 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784464948 1221244511 /nfs/dbraw/zinc/24/45/11/1221244511.db2.gz FAIRCJDPZCXIHN-OAHLLOKOSA-N 2 2 373.457 0.693 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001112424396 1221257334 /nfs/dbraw/zinc/25/73/34/1221257334.db2.gz YVZNOCLGLXPCSX-KXBFYZLASA-N 2 2 360.458 0.597 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001112438432 1221259734 /nfs/dbraw/zinc/25/97/34/1221259734.db2.gz DOOPHWIXMWUZPD-DOXZYTNZSA-N 2 2 359.474 0.410 20 0 FCADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001229693397 1226028617 /nfs/dbraw/zinc/02/86/17/1226028617.db2.gz RNUFHMXGWSBLSO-KBRIMQKVSA-N 2 2 361.490 0.894 20 0 FCADLP C[NH+]1CCC(CNC(=O)N2CCn3c[nH+]cc3C2)(N2CCOCC2)CC1 ZINC001230073107 1226050564 /nfs/dbraw/zinc/05/05/64/1226050564.db2.gz JVMPCJBUOMAXCC-UHFFFAOYSA-N 2 2 362.478 0.205 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001117849579 1221631310 /nfs/dbraw/zinc/63/13/10/1221631310.db2.gz YGSRFMLJGXOKEF-UHFFFAOYSA-N 2 2 369.554 0.271 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001117849579 1221631312 /nfs/dbraw/zinc/63/13/12/1221631312.db2.gz YGSRFMLJGXOKEF-UHFFFAOYSA-N 2 2 369.554 0.271 20 0 FCADLP CN(CCCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)CC[NH+](C)C ZINC001117849579 1221631317 /nfs/dbraw/zinc/63/13/17/1221631317.db2.gz YGSRFMLJGXOKEF-UHFFFAOYSA-N 2 2 369.554 0.271 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001230149400 1226057761 /nfs/dbraw/zinc/05/77/61/1226057761.db2.gz IDVUTXFUVLLEMB-FVQBIDKESA-N 2 2 365.478 0.863 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1(F)F ZINC001117896371 1221644993 /nfs/dbraw/zinc/64/49/93/1221644993.db2.gz NDXXWQXRUXLQID-AWEZNQCLSA-N 2 2 374.476 0.975 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1(F)F ZINC001117896371 1221645000 /nfs/dbraw/zinc/64/50/00/1221645000.db2.gz NDXXWQXRUXLQID-AWEZNQCLSA-N 2 2 374.476 0.975 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001230149499 1226059215 /nfs/dbraw/zinc/05/92/15/1226059215.db2.gz LUCNMSBSRUVYGA-NUEKZKHPSA-N 2 2 365.478 0.863 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001118328598 1221761167 /nfs/dbraw/zinc/76/11/67/1221761167.db2.gz MEHZVNHWAYLYMB-KNBMTAEXSA-N 2 2 356.470 0.877 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001118328598 1221761170 /nfs/dbraw/zinc/76/11/70/1221761170.db2.gz MEHZVNHWAYLYMB-KNBMTAEXSA-N 2 2 356.470 0.877 20 0 FCADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344536 1226075869 /nfs/dbraw/zinc/07/58/69/1226075869.db2.gz YVTZDKVGBCGBHJ-ZIAGYGMSSA-N 2 2 364.450 0.136 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119145398 1221877674 /nfs/dbraw/zinc/87/76/74/1221877674.db2.gz VJCAOIFHTAKMLZ-WMZOPIPTSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119145398 1221877675 /nfs/dbraw/zinc/87/76/75/1221877675.db2.gz VJCAOIFHTAKMLZ-WMZOPIPTSA-N 2 2 368.522 0.897 20 0 FCADLP C[NH+]1CCN(Cc2cccc(CNC(=O)c3cnc(C[NH3+])nc3)c2)CC1 ZINC001119237551 1221891806 /nfs/dbraw/zinc/89/18/06/1221891806.db2.gz WMZYCTHSQICGFI-UHFFFAOYSA-N 2 2 354.458 0.613 20 0 FCADLP CN1CC[NH+](Cc2cccc(CNC(=O)c3cnc(C[NH3+])nc3)c2)CC1 ZINC001119237551 1221891809 /nfs/dbraw/zinc/89/18/09/1221891809.db2.gz WMZYCTHSQICGFI-UHFFFAOYSA-N 2 2 354.458 0.613 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001119377964 1221909826 /nfs/dbraw/zinc/90/98/26/1221909826.db2.gz WIJQLXNMHRCDLT-RTBURBONSA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001119377964 1221909830 /nfs/dbraw/zinc/90/98/30/1221909830.db2.gz WIJQLXNMHRCDLT-RTBURBONSA-N 2 2 360.502 0.908 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001120496423 1222095065 /nfs/dbraw/zinc/09/50/65/1222095065.db2.gz AFAXJLVTLCXSLV-MRXNPFEDSA-N 2 2 374.489 0.501 20 0 FCADLP Cn1c(C[NH+]2CCC(C(N)=O)CC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001121356926 1222168289 /nfs/dbraw/zinc/16/82/89/1222168289.db2.gz FZEVCDMCPUSFAF-UHFFFAOYSA-N 2 2 361.494 0.187 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001121917539 1222223548 /nfs/dbraw/zinc/22/35/48/1222223548.db2.gz VPSITGGGZFGSQT-SFHVURJKSA-N 2 2 362.474 0.526 20 0 FCADLP O=c1cc[nH]cc1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277528151 1226109204 /nfs/dbraw/zinc/10/92/04/1226109204.db2.gz QJOOWXFVFHFLIO-SFHVURJKSA-N 2 2 357.414 0.075 20 0 FCADLP O=c1cc[nH]cc1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277528151 1226109208 /nfs/dbraw/zinc/10/92/08/1226109208.db2.gz QJOOWXFVFHFLIO-SFHVURJKSA-N 2 2 357.414 0.075 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122216918 1222251606 /nfs/dbraw/zinc/25/16/06/1222251606.db2.gz UPEPKDGUZRTLGD-DLBZAZTESA-N 2 2 371.485 0.578 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001123632088 1222346228 /nfs/dbraw/zinc/34/62/28/1222346228.db2.gz YNWOTZWMBKSUBL-XWTMOSNGSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123632088 1222346233 /nfs/dbraw/zinc/34/62/33/1222346233.db2.gz YNWOTZWMBKSUBL-XWTMOSNGSA-N 2 2 367.538 0.563 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC001123733025 1222354105 /nfs/dbraw/zinc/35/41/05/1222354105.db2.gz DYSMDHNWMHIPAK-QZTJIDSGSA-N 2 2 368.570 0.194 20 0 FCADLP C[C@@H](CC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920743 1222485946 /nfs/dbraw/zinc/48/59/46/1222485946.db2.gz DAOOTJOAVAGZAE-OTJKEOIZSA-N 2 2 366.462 0.626 20 0 FCADLP C[C@@H](CC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920743 1222485949 /nfs/dbraw/zinc/48/59/49/1222485949.db2.gz DAOOTJOAVAGZAE-OTJKEOIZSA-N 2 2 366.462 0.626 20 0 FCADLP C[C@@H](CC[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920743 1222485953 /nfs/dbraw/zinc/48/59/53/1222485953.db2.gz DAOOTJOAVAGZAE-OTJKEOIZSA-N 2 2 366.462 0.626 20 0 FCADLP C[C@@H](CC[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920743 1222485955 /nfs/dbraw/zinc/48/59/55/1222485955.db2.gz DAOOTJOAVAGZAE-OTJKEOIZSA-N 2 2 366.462 0.626 20 0 FCADLP CNc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001138691259 1222521607 /nfs/dbraw/zinc/52/16/07/1222521607.db2.gz FEYDPDKOGAKLRH-NVXWUHKLSA-N 2 2 361.490 0.734 20 0 FCADLP CNc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001138691259 1222521602 /nfs/dbraw/zinc/52/16/02/1222521602.db2.gz FEYDPDKOGAKLRH-NVXWUHKLSA-N 2 2 361.490 0.734 20 0 FCADLP CNc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001138691259 1222521609 /nfs/dbraw/zinc/52/16/09/1222521609.db2.gz FEYDPDKOGAKLRH-NVXWUHKLSA-N 2 2 361.490 0.734 20 0 FCADLP CNc1ncccc1C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001138691259 1222521615 /nfs/dbraw/zinc/52/16/15/1222521615.db2.gz FEYDPDKOGAKLRH-NVXWUHKLSA-N 2 2 361.490 0.734 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001231836036 1226133378 /nfs/dbraw/zinc/13/33/78/1226133378.db2.gz UXUJCWLPCJKHSV-UHFFFAOYSA-N 2 2 364.538 0.634 20 0 FCADLP O=C1NCC[C@H]2C[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@@H]12 ZINC001139764357 1222557706 /nfs/dbraw/zinc/55/77/06/1222557706.db2.gz IQHYHOKRRHUQDT-PKOBYXMFSA-N 2 2 359.470 0.966 20 0 FCADLP O=C1NCC[C@H]2C[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@@H]12 ZINC001139764357 1222557709 /nfs/dbraw/zinc/55/77/09/1222557709.db2.gz IQHYHOKRRHUQDT-PKOBYXMFSA-N 2 2 359.470 0.966 20 0 FCADLP C[C@]1(CO)C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761722 1222558069 /nfs/dbraw/zinc/55/80/69/1222558069.db2.gz LIKBEOPPRDGDMZ-VQTJNVASSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@]1(CO)C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761722 1222558073 /nfs/dbraw/zinc/55/80/73/1222558073.db2.gz LIKBEOPPRDGDMZ-VQTJNVASSA-N 2 2 364.486 0.963 20 0 FCADLP CN1CCO[C@H]2C[N@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@H]21 ZINC001139762358 1222558136 /nfs/dbraw/zinc/55/81/36/1222558136.db2.gz XPUJCWFDFIVBNN-UXHICEINSA-N 2 2 361.486 0.912 20 0 FCADLP CN1CCO[C@H]2C[N@@H+](Cc3cccc(OCC[NH+]4CCOCC4)c3)C[C@H]21 ZINC001139762358 1222558139 /nfs/dbraw/zinc/55/81/39/1222558139.db2.gz XPUJCWFDFIVBNN-UXHICEINSA-N 2 2 361.486 0.912 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](CC2C(=O)N=CNC2=O)CC3)CC1 ZINC001140474893 1222596583 /nfs/dbraw/zinc/59/65/83/1222596583.db2.gz BBIJQKMWSXMHTC-UHFFFAOYSA-N 2 2 371.445 0.030 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](CC2C(=O)N=CNC2=O)CC3)CC1 ZINC001140474893 1222596588 /nfs/dbraw/zinc/59/65/88/1222596588.db2.gz BBIJQKMWSXMHTC-UHFFFAOYSA-N 2 2 371.445 0.030 20 0 FCADLP C[NH+](C)CCOCc1ncn2c1C[N@H+](CC1C(=O)N=CNC1=O)CCC2 ZINC001140475406 1222596617 /nfs/dbraw/zinc/59/66/17/1222596617.db2.gz IYSKKJKHMXZCSG-UHFFFAOYSA-N 2 2 362.434 0.568 20 0 FCADLP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CC1C(=O)N=CNC1=O)CCC2 ZINC001140475406 1222596620 /nfs/dbraw/zinc/59/66/20/1222596620.db2.gz IYSKKJKHMXZCSG-UHFFFAOYSA-N 2 2 362.434 0.568 20 0 FCADLP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317101 1222621693 /nfs/dbraw/zinc/62/16/93/1222621693.db2.gz CMZQXVPTTZVVJZ-GDBMZVCRSA-N 2 2 367.494 0.637 20 0 FCADLP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317101 1222621696 /nfs/dbraw/zinc/62/16/96/1222621696.db2.gz CMZQXVPTTZVVJZ-GDBMZVCRSA-N 2 2 367.494 0.637 20 0 FCADLP COc1cnc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cn1 ZINC001231938563 1226135738 /nfs/dbraw/zinc/13/57/38/1226135738.db2.gz ZZFVROLEBNDIEK-UHFFFAOYSA-N 2 2 369.473 0.628 20 0 FCADLP COc1cnc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cn1 ZINC001231938563 1226135741 /nfs/dbraw/zinc/13/57/41/1226135741.db2.gz ZZFVROLEBNDIEK-UHFFFAOYSA-N 2 2 369.473 0.628 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4cncnc4)CC3)cn2)CC1 ZINC001232362224 1226149030 /nfs/dbraw/zinc/14/90/30/1226149030.db2.gz NSRFRWQLCJUJSZ-UHFFFAOYSA-N 2 2 353.474 0.946 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@H+](C)C1 ZINC000840275638 1222782356 /nfs/dbraw/zinc/78/23/56/1222782356.db2.gz GROKTLLMZTUGHU-AWEZNQCLSA-N 2 2 364.446 0.953 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC[N@@H+](C)C1 ZINC000840275638 1222782361 /nfs/dbraw/zinc/78/23/61/1222782361.db2.gz GROKTLLMZTUGHU-AWEZNQCLSA-N 2 2 364.446 0.953 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000841838097 1222829976 /nfs/dbraw/zinc/82/99/76/1222829976.db2.gz LJJCDHCXNNLFIT-UHFFFAOYSA-N 2 2 374.533 0.926 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@]4(CCC[NH2+]4)C3)[nH+]c12 ZINC000842129271 1222836291 /nfs/dbraw/zinc/83/62/91/1222836291.db2.gz UGSUMLPVMAJYEK-LJQANCHMSA-N 2 2 355.442 0.656 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cn1 ZINC000842164084 1222838238 /nfs/dbraw/zinc/83/82/38/1222838238.db2.gz UQMFMKKAERHPLN-CHWSQXEVSA-N 2 2 356.430 0.401 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000842231146 1222843234 /nfs/dbraw/zinc/84/32/34/1222843234.db2.gz NZUVFYQOXGLLPF-GOSISDBHSA-N 2 2 368.437 0.879 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000843057635 1222858278 /nfs/dbraw/zinc/85/82/78/1222858278.db2.gz GFINEHYARXHVDF-FQEVSTJZSA-N 2 2 356.470 0.685 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)cc2)CC1 ZINC000843200810 1222860590 /nfs/dbraw/zinc/86/05/90/1222860590.db2.gz KVHXSUMJTALNNB-INIZCTEOSA-N 2 2 371.441 0.655 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000843249613 1222863796 /nfs/dbraw/zinc/86/37/96/1222863796.db2.gz CHKFKOPTTGMUMD-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000843249613 1222863797 /nfs/dbraw/zinc/86/37/97/1222863797.db2.gz CHKFKOPTTGMUMD-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000843249613 1222863799 /nfs/dbraw/zinc/86/37/99/1222863799.db2.gz CHKFKOPTTGMUMD-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000843249613 1222863803 /nfs/dbraw/zinc/86/38/03/1222863803.db2.gz CHKFKOPTTGMUMD-BBWFWOEESA-N 2 2 368.522 0.497 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695496 1226159984 /nfs/dbraw/zinc/15/99/84/1226159984.db2.gz BEGBHKOIKZDLNK-WFASDCNBSA-N 2 2 374.363 0.647 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695496 1226159989 /nfs/dbraw/zinc/15/99/89/1226159989.db2.gz BEGBHKOIKZDLNK-WFASDCNBSA-N 2 2 374.363 0.647 20 0 FCADLP C[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1C[NH3+] ZINC000843353888 1222872140 /nfs/dbraw/zinc/87/21/40/1222872140.db2.gz QBSQNIMPCZONNR-UONOGXRCSA-N 2 2 365.478 0.722 20 0 FCADLP C[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1C[NH3+] ZINC000843353888 1222872142 /nfs/dbraw/zinc/87/21/42/1222872142.db2.gz QBSQNIMPCZONNR-UONOGXRCSA-N 2 2 365.478 0.722 20 0 FCADLP c1ccc(N2CC[NH+](C3CN(c4ncnc5c4CC[NH2+]CC5)C3)CC2)nc1 ZINC001154637301 1223013791 /nfs/dbraw/zinc/01/37/91/1223013791.db2.gz AVGFMADFGUQLIK-UHFFFAOYSA-N 2 2 365.485 0.571 20 0 FCADLP CC[N@H+](CC(=O)N(C)C1CC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321486 1223033179 /nfs/dbraw/zinc/03/31/79/1223033179.db2.gz QGRSRAFSPCYSCA-FVQBIDKESA-N 2 2 361.490 0.971 20 0 FCADLP CC[N@@H+](CC(=O)N(C)C1CC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321486 1223033182 /nfs/dbraw/zinc/03/31/82/1223033182.db2.gz QGRSRAFSPCYSCA-FVQBIDKESA-N 2 2 361.490 0.971 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081926 1223067274 /nfs/dbraw/zinc/06/72/74/1223067274.db2.gz FXQFKAZVZSINDU-QIIPPGSGSA-N 2 2 364.446 0.549 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081926 1223067279 /nfs/dbraw/zinc/06/72/79/1223067279.db2.gz FXQFKAZVZSINDU-QIIPPGSGSA-N 2 2 364.446 0.549 20 0 FCADLP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610379 1223079405 /nfs/dbraw/zinc/07/94/05/1223079405.db2.gz ZRTOEBVDGBRWPL-JMICBVPHSA-N 2 2 357.454 0.995 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)c2ccccc2)C[C@@H]1[NH3+] ZINC001157792876 1223082374 /nfs/dbraw/zinc/08/23/74/1223082374.db2.gz GDXMSBDWUFNTFB-COXVUDFISA-N 2 2 355.442 0.947 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)c2ccccc2)C[C@@H]1[NH3+] ZINC001157792876 1223082378 /nfs/dbraw/zinc/08/23/78/1223082378.db2.gz GDXMSBDWUFNTFB-COXVUDFISA-N 2 2 355.442 0.947 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001157999734 1223086760 /nfs/dbraw/zinc/08/67/60/1223086760.db2.gz SXYKXCFYWYLVQA-DOTOQJQBSA-N 2 2 373.453 0.432 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158143622 1223090303 /nfs/dbraw/zinc/09/03/03/1223090303.db2.gz XSNFIDDCHRFTNF-FHWLQOOXSA-N 3 2 372.513 0.863 20 0 FCADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158250379 1223091940 /nfs/dbraw/zinc/09/19/40/1223091940.db2.gz YQSJDFIEAPPSAI-HZPDHXFCSA-N 2 2 361.490 0.774 20 0 FCADLP O=C(N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158602005 1223103063 /nfs/dbraw/zinc/10/30/63/1223103063.db2.gz ULPFOPLLGARRAY-BFUOFWGJSA-N 2 2 355.442 0.857 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158748274 1223107339 /nfs/dbraw/zinc/10/73/39/1223107339.db2.gz UBIBFWZJSDKEQU-OAHLLOKOSA-N 2 2 355.446 0.731 20 0 FCADLP CCOC[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)Cc2nn(CC3CC3)cc21 ZINC001158799810 1223110067 /nfs/dbraw/zinc/11/00/67/1223110067.db2.gz PHRZVGCLOACIGM-OYRIPWCXSA-N 2 2 373.501 0.977 20 0 FCADLP [NH3+]C1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901869 1223112014 /nfs/dbraw/zinc/11/20/14/1223112014.db2.gz ILKAUARLVCTBQG-GUYCJALGSA-N 3 2 363.437 0.156 20 0 FCADLP [NH3+]C1(C(=O)N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC[NH2+]CC1 ZINC001159146525 1223118974 /nfs/dbraw/zinc/11/89/74/1223118974.db2.gz OOHLMAXPEBQMTG-IBGZPJMESA-N 2 2 371.485 0.646 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159147300 1223119228 /nfs/dbraw/zinc/11/92/28/1223119228.db2.gz WQMBWDNSOJTZAS-TXPKVOOTSA-N 2 2 357.458 0.112 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C1 ZINC001159160066 1223119649 /nfs/dbraw/zinc/11/96/49/1223119649.db2.gz CUDTXYYIOQQLBB-IUVQAAGXSA-N 2 2 360.458 0.547 20 0 FCADLP Cc1cccc(N2CCC[C@]3(CN(C(=O)[C@@H]4C[C@H]([NH3+])C[NH2+]4)CCO3)C2)c1 ZINC001159298477 1223123676 /nfs/dbraw/zinc/12/36/76/1223123676.db2.gz KUTKSVWPEKUDIG-XKGZKEIXSA-N 2 2 358.486 0.882 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC[C@@H]21 ZINC001159533404 1223129255 /nfs/dbraw/zinc/12/92/55/1223129255.db2.gz FPULTDPGDAYANX-FPSMNIFISA-N 3 2 360.506 0.272 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC[C@@H]21 ZINC001159533404 1223129257 /nfs/dbraw/zinc/12/92/57/1223129257.db2.gz FPULTDPGDAYANX-FPSMNIFISA-N 3 2 360.506 0.272 20 0 FCADLP O=C(C=C1CC[NH2+]CC1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159632872 1223131645 /nfs/dbraw/zinc/13/16/45/1223131645.db2.gz BQJGNXKDGIDPTM-UHFFFAOYSA-N 2 2 368.441 0.530 20 0 FCADLP [NH3+][C@@H](CC1CCC1)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633327 1223131807 /nfs/dbraw/zinc/13/18/07/1223131807.db2.gz IWPJAQACAXYYAG-INIZCTEOSA-N 2 2 370.457 0.738 20 0 FCADLP O=C([C@H]1CC[NH2+]C[C@H]1F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633599 1223131837 /nfs/dbraw/zinc/13/18/37/1223131837.db2.gz OLIZWKXTSYWVLA-LSDHHAIUSA-N 2 2 374.420 0.168 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667139 1223132902 /nfs/dbraw/zinc/13/29/02/1223132902.db2.gz SUXGMRIIRUDJKO-RBUKOAKNSA-N 3 2 373.501 0.225 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667139 1223132905 /nfs/dbraw/zinc/13/29/05/1223132905.db2.gz SUXGMRIIRUDJKO-RBUKOAKNSA-N 3 2 373.501 0.225 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159677441 1223133389 /nfs/dbraw/zinc/13/33/89/1223133389.db2.gz IYWYABFVOBLHMI-MRXNPFEDSA-N 2 2 360.458 0.658 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159697185 1223133924 /nfs/dbraw/zinc/13/39/24/1223133924.db2.gz HMSLKHJJKSIFBQ-CMURFVSUSA-N 2 2 372.469 0.416 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159695754 1223134112 /nfs/dbraw/zinc/13/41/12/1223134112.db2.gz GCCOCBDRDYNRFE-PQEBFOHHSA-N 2 2 371.441 0.760 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159695750 1223134134 /nfs/dbraw/zinc/13/41/34/1223134134.db2.gz GCCOCBDRDYNRFE-MWQQHZPXSA-N 2 2 371.441 0.760 20 0 FCADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001159898563 1223139383 /nfs/dbraw/zinc/13/93/83/1223139383.db2.gz PDWNQLIFBOAXSB-IBGZPJMESA-N 2 2 369.469 0.753 20 0 FCADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001159898563 1223139386 /nfs/dbraw/zinc/13/93/86/1223139386.db2.gz PDWNQLIFBOAXSB-IBGZPJMESA-N 2 2 369.469 0.753 20 0 FCADLP C[C@]1(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC001159998866 1223142468 /nfs/dbraw/zinc/14/24/68/1223142468.db2.gz MWVAKLHXXUGMNR-FQEVSTJZSA-N 2 2 370.497 0.979 20 0 FCADLP C[C@]1(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC001159998866 1223142469 /nfs/dbraw/zinc/14/24/69/1223142469.db2.gz MWVAKLHXXUGMNR-FQEVSTJZSA-N 2 2 370.497 0.979 20 0 FCADLP Cc1ccc(N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171536 1223147126 /nfs/dbraw/zinc/14/71/26/1223147126.db2.gz NTLQKTOSRIRQAM-KDOFPFPSSA-N 3 2 366.469 0.827 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001160179277 1223148430 /nfs/dbraw/zinc/14/84/30/1223148430.db2.gz LIDDWHBGQGPFEZ-AEGPPILISA-N 2 2 369.425 0.483 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)C1 ZINC001160231621 1223151127 /nfs/dbraw/zinc/15/11/27/1223151127.db2.gz SIZGIPFQCRDFEH-DVOMOZLQSA-N 2 2 366.416 0.230 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566541 1223164565 /nfs/dbraw/zinc/16/45/65/1223164565.db2.gz RSEFOTSADPMKIP-KRWDZBQOSA-N 3 2 358.490 0.924 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001160674471 1223168211 /nfs/dbraw/zinc/16/82/11/1223168211.db2.gz OSKOKDMDUMQWNL-INIZCTEOSA-N 2 2 353.430 0.515 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)CC1)c1ccccc1 ZINC001160905801 1223180595 /nfs/dbraw/zinc/18/05/95/1223180595.db2.gz VAKHIEUPSBIGLF-OALUTQOASA-N 2 2 371.485 0.822 20 0 FCADLP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160940005 1223181306 /nfs/dbraw/zinc/18/13/06/1223181306.db2.gz JPCNWMMKEZNFFD-YLJYHZDGSA-N 2 2 356.470 0.242 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001161237560 1223191442 /nfs/dbraw/zinc/19/14/42/1223191442.db2.gz MIPNQYXXKLDWHF-YOEHRIQHSA-N 2 2 358.442 0.743 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001161237560 1223191445 /nfs/dbraw/zinc/19/14/45/1223191445.db2.gz MIPNQYXXKLDWHF-YOEHRIQHSA-N 2 2 358.442 0.743 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161248586 1223192141 /nfs/dbraw/zinc/19/21/41/1223192141.db2.gz CUGYCNXYMYGUGO-OAGGEKHMSA-N 2 2 359.474 0.926 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161248586 1223192145 /nfs/dbraw/zinc/19/21/45/1223192145.db2.gz CUGYCNXYMYGUGO-OAGGEKHMSA-N 2 2 359.474 0.926 20 0 FCADLP COc1cnc(O[C@@H]2CCN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C2)nc1 ZINC001161298099 1223194060 /nfs/dbraw/zinc/19/40/60/1223194060.db2.gz GJQXKPMZJDAFNA-GDBMZVCRSA-N 2 2 357.414 0.737 20 0 FCADLP COc1cnc(O[C@H]2CCN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C2)nc1 ZINC001161298100 1223194226 /nfs/dbraw/zinc/19/42/26/1223194226.db2.gz GJQXKPMZJDAFNA-GOEBONIOSA-N 2 2 357.414 0.737 20 0 FCADLP COc1cc(C)nc(N(C(=O)C[NH2+]C2CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161308551 1223195294 /nfs/dbraw/zinc/19/52/94/1223195294.db2.gz CXOHHXFVZMNGNG-UHFFFAOYSA-N 3 2 362.478 0.220 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)(C)C)CCN3)CC2)cc[nH+]1 ZINC001161306724 1223195355 /nfs/dbraw/zinc/19/53/55/1223195355.db2.gz XIVMZYJJGHPDPC-MRXNPFEDSA-N 2 2 361.490 0.811 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@H]3C[N@H+](C(C)(C)C)CCN3)CC2)cc[nH+]1 ZINC001161306724 1223195357 /nfs/dbraw/zinc/19/53/57/1223195357.db2.gz XIVMZYJJGHPDPC-MRXNPFEDSA-N 2 2 361.490 0.811 20 0 FCADLP COc1ccnc(OC2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC2)n1 ZINC001161367635 1223196997 /nfs/dbraw/zinc/19/69/97/1223196997.db2.gz NHCLGVOHSYYKCV-AWEZNQCLSA-N 2 2 360.418 0.159 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC001161473107 1223200447 /nfs/dbraw/zinc/20/04/47/1223200447.db2.gz ULTPCNSAHZWLSS-LSDHHAIUSA-N 2 2 359.478 0.169 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC001161473107 1223200450 /nfs/dbraw/zinc/20/04/50/1223200450.db2.gz ULTPCNSAHZWLSS-LSDHHAIUSA-N 2 2 359.478 0.169 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH2+]C4(CC4)C3)cn21 ZINC001161556819 1223203876 /nfs/dbraw/zinc/20/38/76/1223203876.db2.gz VVFRFMUVCWZMFT-HNNXBMFYSA-N 2 2 369.473 0.226 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1c1nnc2ccc(C(=O)N3CC[NH2+]C4(CC4)C3)cn21 ZINC001161556819 1223203879 /nfs/dbraw/zinc/20/38/79/1223203879.db2.gz VVFRFMUVCWZMFT-HNNXBMFYSA-N 2 2 369.473 0.226 20 0 FCADLP Cc1nc(-n2cncn2)cc(N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)[nH+]1 ZINC001161668166 1223206327 /nfs/dbraw/zinc/20/63/27/1223206327.db2.gz ZXHHHPQLSGOGFO-HDJSIYSDSA-N 2 2 358.450 0.767 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCN3C(=O)CCC3=O)CC2)CC1 ZINC001162185078 1223211572 /nfs/dbraw/zinc/21/15/72/1223211572.db2.gz LZEIQNOEJVKHFR-UHFFFAOYSA-N 2 2 364.490 0.544 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCN3C(=O)CCC3=O)CC2)CC1 ZINC001162185078 1223211576 /nfs/dbraw/zinc/21/15/76/1223211576.db2.gz LZEIQNOEJVKHFR-UHFFFAOYSA-N 2 2 364.490 0.544 20 0 FCADLP [NH3+]CCCC[NH2+]CCCNc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001162291933 1223213676 /nfs/dbraw/zinc/21/36/76/1223213676.db2.gz JNZUHWFWSGAIEF-UHFFFAOYSA-N 3 2 362.526 0.624 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)[nH+]cn1 ZINC001163135329 1223227233 /nfs/dbraw/zinc/22/72/33/1223227233.db2.gz CPGVECURNLPYKO-MRXNPFEDSA-N 2 2 369.473 0.477 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)nc[nH+]1 ZINC001163135329 1223227235 /nfs/dbraw/zinc/22/72/35/1223227235.db2.gz CPGVECURNLPYKO-MRXNPFEDSA-N 2 2 369.473 0.477 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)[nH+]cn2)CC1 ZINC001163162809 1223227747 /nfs/dbraw/zinc/22/77/47/1223227747.db2.gz DQDZGZGFOGHCKT-RBSFLKMASA-N 2 2 360.462 0.215 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc[nH+]2)CC1 ZINC001163162809 1223227749 /nfs/dbraw/zinc/22/77/49/1223227749.db2.gz DQDZGZGFOGHCKT-RBSFLKMASA-N 2 2 360.462 0.215 20 0 FCADLP NC(=O)[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001165071214 1223241129 /nfs/dbraw/zinc/24/11/29/1223241129.db2.gz FRNDIPYFTKABDE-KRWDZBQOSA-N 2 2 352.442 0.298 20 0 FCADLP NC(=O)[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001165071214 1223241131 /nfs/dbraw/zinc/24/11/31/1223241131.db2.gz FRNDIPYFTKABDE-KRWDZBQOSA-N 2 2 352.442 0.298 20 0 FCADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001165309978 1223244408 /nfs/dbraw/zinc/24/44/08/1223244408.db2.gz GQQAQYNPNAKFTQ-UHFFFAOYSA-N 2 2 356.434 0.004 20 0 FCADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc(N3CCOCC3)nc[nH+]1)C2 ZINC001165309978 1223244409 /nfs/dbraw/zinc/24/44/09/1223244409.db2.gz GQQAQYNPNAKFTQ-UHFFFAOYSA-N 2 2 356.434 0.004 20 0 FCADLP c1cn(Cc2nnn3c2CN(c2cc(C4C[NH2+]C4)ncn2)CCC3)c[nH+]1 ZINC001165883140 1223260881 /nfs/dbraw/zinc/26/08/81/1223260881.db2.gz DIATWZPNBDBAGP-UHFFFAOYSA-N 2 2 351.418 0.410 20 0 FCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001165961007 1223263633 /nfs/dbraw/zinc/26/36/33/1223263633.db2.gz XMJRNLYVEHEVPI-UHFFFAOYSA-N 2 2 364.413 0.292 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001166961046 1223290235 /nfs/dbraw/zinc/29/02/35/1223290235.db2.gz NQMMVHACJUGBFK-CHWSQXEVSA-N 2 2 360.466 0.561 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001166960973 1223290386 /nfs/dbraw/zinc/29/03/86/1223290386.db2.gz LQWTXCSJCFWQFY-BZUAXINKSA-N 2 2 361.490 0.878 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001166960505 1223290460 /nfs/dbraw/zinc/29/04/60/1223290460.db2.gz IHRHHORNAJLMIQ-HZPDHXFCSA-N 2 2 355.442 0.919 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)no1 ZINC001166960147 1223290589 /nfs/dbraw/zinc/29/05/89/1223290589.db2.gz BAVCLQSVWLZAAI-CHWSQXEVSA-N 2 2 360.418 0.555 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001205226631 1223318661 /nfs/dbraw/zinc/31/86/61/1223318661.db2.gz ZNVIVOOPTWXUHC-KBAYOESNSA-N 2 2 358.442 0.338 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001205226631 1223318663 /nfs/dbraw/zinc/31/86/63/1223318663.db2.gz ZNVIVOOPTWXUHC-KBAYOESNSA-N 2 2 358.442 0.338 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586105 1223361837 /nfs/dbraw/zinc/36/18/37/1223361837.db2.gz NVNMIOCQLATZFB-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586105 1223361839 /nfs/dbraw/zinc/36/18/39/1223361839.db2.gz NVNMIOCQLATZFB-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206586105 1223361841 /nfs/dbraw/zinc/36/18/41/1223361841.db2.gz NVNMIOCQLATZFB-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206586105 1223361843 /nfs/dbraw/zinc/36/18/43/1223361843.db2.gz NVNMIOCQLATZFB-KBRIMQKVSA-N 2 2 362.518 0.822 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccc(F)cn3)CC2)C1=O ZINC001207038727 1223407925 /nfs/dbraw/zinc/40/79/25/1223407925.db2.gz LRVIAEKQNANXNQ-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccc(F)cn3)CC2)C1=O ZINC001207038727 1223407927 /nfs/dbraw/zinc/40/79/27/1223407927.db2.gz LRVIAEKQNANXNQ-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP Cc1nccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001207164746 1223423119 /nfs/dbraw/zinc/42/31/19/1223423119.db2.gz NLZJKHBBBRAPIC-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP Cc1nccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001207164746 1223423125 /nfs/dbraw/zinc/42/31/25/1223423125.db2.gz NLZJKHBBBRAPIC-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP CC(C)(CN1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)[NH+]1CCOCC1 ZINC001207302125 1223433893 /nfs/dbraw/zinc/43/38/93/1223433893.db2.gz GOQQQDLWWPTLPI-IRXDYDNUSA-N 2 2 361.490 0.725 20 0 FCADLP CC(C)(CN1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)[NH+]1CCOCC1 ZINC001207302125 1223433898 /nfs/dbraw/zinc/43/38/98/1223433898.db2.gz GOQQQDLWWPTLPI-IRXDYDNUSA-N 2 2 361.490 0.725 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551274 1223455137 /nfs/dbraw/zinc/45/51/37/1223455137.db2.gz ZAKJVTONQMYWIJ-MZMPZRCHSA-N 2 2 362.474 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551274 1223455139 /nfs/dbraw/zinc/45/51/39/1223455139.db2.gz ZAKJVTONQMYWIJ-MZMPZRCHSA-N 2 2 362.474 0.673 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757699 1223477588 /nfs/dbraw/zinc/47/75/88/1223477588.db2.gz JZQWPOFTIKOBRZ-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757699 1223477590 /nfs/dbraw/zinc/47/75/90/1223477590.db2.gz JZQWPOFTIKOBRZ-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757699 1223477592 /nfs/dbraw/zinc/47/75/92/1223477592.db2.gz JZQWPOFTIKOBRZ-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757699 1223477595 /nfs/dbraw/zinc/47/75/95/1223477595.db2.gz JZQWPOFTIKOBRZ-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207789886 1223480448 /nfs/dbraw/zinc/48/04/48/1223480448.db2.gz HOGCGOFBQGNABK-TZMCWYRMSA-N 2 2 367.494 0.271 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001207789886 1223480450 /nfs/dbraw/zinc/48/04/50/1223480450.db2.gz HOGCGOFBQGNABK-TZMCWYRMSA-N 2 2 367.494 0.271 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001207789886 1223480453 /nfs/dbraw/zinc/48/04/53/1223480453.db2.gz HOGCGOFBQGNABK-TZMCWYRMSA-N 2 2 367.494 0.271 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001207789886 1223480456 /nfs/dbraw/zinc/48/04/56/1223480456.db2.gz HOGCGOFBQGNABK-TZMCWYRMSA-N 2 2 367.494 0.271 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208362295 1223535455 /nfs/dbraw/zinc/53/54/55/1223535455.db2.gz NAOYPDAXASTXGT-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C[C@H]3CCOC3)nn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496411 1223552019 /nfs/dbraw/zinc/55/20/19/1223552019.db2.gz SCASLAODHWYHGX-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C[C@H]3CCOC3)nn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496411 1223552023 /nfs/dbraw/zinc/55/20/23/1223552023.db2.gz SCASLAODHWYHGX-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208637490 1223565994 /nfs/dbraw/zinc/56/59/94/1223565994.db2.gz NGWTYPMFZDXWBF-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208637490 1223565999 /nfs/dbraw/zinc/56/59/99/1223565999.db2.gz NGWTYPMFZDXWBF-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208637490 1223566002 /nfs/dbraw/zinc/56/60/02/1223566002.db2.gz NGWTYPMFZDXWBF-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208637490 1223566005 /nfs/dbraw/zinc/56/60/05/1223566005.db2.gz NGWTYPMFZDXWBF-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208678366 1223570737 /nfs/dbraw/zinc/57/07/37/1223570737.db2.gz HDAINTGCWARKEK-KSZLIROESA-N 2 2 369.506 0.483 20 0 FCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208678369 1223570994 /nfs/dbraw/zinc/57/09/94/1223570994.db2.gz HDAINTGCWARKEK-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739384 1223574974 /nfs/dbraw/zinc/57/49/74/1223574974.db2.gz QWSLMRZACYQAMU-SOLBZPMBSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C)[NH+]1CCCC1 ZINC001208739384 1223574979 /nfs/dbraw/zinc/57/49/79/1223574979.db2.gz QWSLMRZACYQAMU-SOLBZPMBSA-N 2 2 363.506 0.858 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@]2(C1)CN(CCC(=O)OC(C)(C)C)C(=O)CO2 ZINC001276610347 1223593939 /nfs/dbraw/zinc/59/39/39/1223593939.db2.gz PPVRFMNZUSGQOS-IBGZPJMESA-N 2 2 369.506 0.973 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@]2(C1)CN(CCC(=O)OC(C)(C)C)C(=O)CO2 ZINC001276610347 1223593943 /nfs/dbraw/zinc/59/39/43/1223593943.db2.gz PPVRFMNZUSGQOS-IBGZPJMESA-N 2 2 369.506 0.973 20 0 FCADLP COCCCC[N@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001209217304 1223602893 /nfs/dbraw/zinc/60/28/93/1223602893.db2.gz ZBFZPGZSACHFCN-UHFFFAOYSA-N 2 2 360.462 0.831 20 0 FCADLP COCCCC[N@@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001209217304 1223602894 /nfs/dbraw/zinc/60/28/94/1223602894.db2.gz ZBFZPGZSACHFCN-UHFFFAOYSA-N 2 2 360.462 0.831 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327887 1223610967 /nfs/dbraw/zinc/61/09/67/1223610967.db2.gz SCZDLLPFSDZLID-GDBMZVCRSA-N 2 2 364.494 0.021 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001209327887 1223610969 /nfs/dbraw/zinc/61/09/69/1223610969.db2.gz SCZDLLPFSDZLID-GDBMZVCRSA-N 2 2 364.494 0.021 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209487802 1223624456 /nfs/dbraw/zinc/62/44/56/1223624456.db2.gz DNLZCSHLLOAFQF-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209487802 1223624457 /nfs/dbraw/zinc/62/44/57/1223624457.db2.gz DNLZCSHLLOAFQF-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698870 1223642456 /nfs/dbraw/zinc/64/24/56/1223642456.db2.gz SRZZNMLUHPHDBH-HUUCEWRRSA-N 2 2 367.494 0.001 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698870 1223642460 /nfs/dbraw/zinc/64/24/60/1223642460.db2.gz SRZZNMLUHPHDBH-HUUCEWRRSA-N 2 2 367.494 0.001 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1 ZINC001209730966 1223644615 /nfs/dbraw/zinc/64/46/15/1223644615.db2.gz RZFMZPUJMRIQPK-UHFFFAOYSA-N 3 2 361.490 0.497 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1 ZINC001209730966 1223644620 /nfs/dbraw/zinc/64/46/20/1223644620.db2.gz RZFMZPUJMRIQPK-UHFFFAOYSA-N 3 2 361.490 0.497 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001209971697 1223659612 /nfs/dbraw/zinc/65/96/12/1223659612.db2.gz DNBWCSLQWJBXLI-ZTFGCOKTSA-N 2 2 358.442 0.930 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001210717971 1223704909 /nfs/dbraw/zinc/70/49/09/1223704909.db2.gz OGWVFNLRUXCSIF-DJIMGWMZSA-N 2 2 361.490 0.799 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001210717971 1223704911 /nfs/dbraw/zinc/70/49/11/1223704911.db2.gz OGWVFNLRUXCSIF-DJIMGWMZSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210723478 1223705016 /nfs/dbraw/zinc/70/50/16/1223705016.db2.gz LYTTXTPEYNMCKN-VNQPRFMTSA-N 2 2 357.462 0.568 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001211046802 1223721535 /nfs/dbraw/zinc/72/15/35/1223721535.db2.gz VSJUCNXFEWTFBD-HLLBOEOZSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001211046802 1223721538 /nfs/dbraw/zinc/72/15/38/1223721538.db2.gz VSJUCNXFEWTFBD-HLLBOEOZSA-N 2 2 366.506 0.012 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211046466 1223721879 /nfs/dbraw/zinc/72/18/79/1223721879.db2.gz PZDQNKZXFOJHOD-IIDMSEBBSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211046466 1223721880 /nfs/dbraw/zinc/72/18/80/1223721880.db2.gz PZDQNKZXFOJHOD-IIDMSEBBSA-N 2 2 361.490 0.690 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367035 1223737569 /nfs/dbraw/zinc/73/75/69/1223737569.db2.gz MYOZFKNMPYQZLA-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367035 1223737571 /nfs/dbraw/zinc/73/75/71/1223737571.db2.gz MYOZFKNMPYQZLA-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211367035 1223737572 /nfs/dbraw/zinc/73/75/72/1223737572.db2.gz MYOZFKNMPYQZLA-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211367035 1223737574 /nfs/dbraw/zinc/73/75/74/1223737574.db2.gz MYOZFKNMPYQZLA-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366817 1223737626 /nfs/dbraw/zinc/73/76/26/1223737626.db2.gz KJNREMDHSUDHMA-FMKPAKJESA-N 2 2 367.494 0.128 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366817 1223737628 /nfs/dbraw/zinc/73/76/28/1223737628.db2.gz KJNREMDHSUDHMA-FMKPAKJESA-N 2 2 367.494 0.128 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367605 1223737748 /nfs/dbraw/zinc/73/77/48/1223737748.db2.gz XJMAFAGCNQKZNI-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367605 1223737750 /nfs/dbraw/zinc/73/77/50/1223737750.db2.gz XJMAFAGCNQKZNI-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367605 1223737754 /nfs/dbraw/zinc/73/77/54/1223737754.db2.gz XJMAFAGCNQKZNI-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367605 1223737755 /nfs/dbraw/zinc/73/77/55/1223737755.db2.gz XJMAFAGCNQKZNI-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447656 1223742883 /nfs/dbraw/zinc/74/28/83/1223742883.db2.gz AMTDZNCBCZXDQI-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447656 1223742884 /nfs/dbraw/zinc/74/28/84/1223742884.db2.gz AMTDZNCBCZXDQI-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211447656 1223742885 /nfs/dbraw/zinc/74/28/85/1223742885.db2.gz AMTDZNCBCZXDQI-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211447656 1223742886 /nfs/dbraw/zinc/74/28/86/1223742886.db2.gz AMTDZNCBCZXDQI-NXHRZFHOSA-N 2 2 358.486 0.834 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CC1 ZINC001213167895 1223761776 /nfs/dbraw/zinc/76/17/76/1223761776.db2.gz OQHROJCDNKKEPK-HZPDHXFCSA-N 2 2 363.462 0.018 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1)C1CC1 ZINC001213167895 1223761780 /nfs/dbraw/zinc/76/17/80/1223761780.db2.gz OQHROJCDNKKEPK-HZPDHXFCSA-N 2 2 363.462 0.018 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167929 1223762008 /nfs/dbraw/zinc/76/20/08/1223762008.db2.gz QBIFFFFWUKLUFB-BZUAXINKSA-N 2 2 365.478 0.262 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167929 1223762010 /nfs/dbraw/zinc/76/20/10/1223762010.db2.gz QBIFFFFWUKLUFB-BZUAXINKSA-N 2 2 365.478 0.262 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340036 1223788238 /nfs/dbraw/zinc/78/82/38/1223788238.db2.gz LZTQUNQVSMTHIG-HUUCEWRRSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340036 1223788241 /nfs/dbraw/zinc/78/82/41/1223788241.db2.gz LZTQUNQVSMTHIG-HUUCEWRRSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435205 1223798184 /nfs/dbraw/zinc/79/81/84/1223798184.db2.gz TWRSOEXUARJQCD-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435205 1223798188 /nfs/dbraw/zinc/79/81/88/1223798188.db2.gz TWRSOEXUARJQCD-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588746 1223819511 /nfs/dbraw/zinc/81/95/11/1223819511.db2.gz RUKFQNSWJMFWIG-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588746 1223819512 /nfs/dbraw/zinc/81/95/12/1223819512.db2.gz RUKFQNSWJMFWIG-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588746 1223819515 /nfs/dbraw/zinc/81/95/15/1223819515.db2.gz RUKFQNSWJMFWIG-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588746 1223819516 /nfs/dbraw/zinc/81/95/16/1223819516.db2.gz RUKFQNSWJMFWIG-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594390 1223820122 /nfs/dbraw/zinc/82/01/22/1223820122.db2.gz CVSVGSTZECLBDP-NUJGCVRESA-N 2 2 370.538 0.647 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594390 1223820123 /nfs/dbraw/zinc/82/01/23/1223820123.db2.gz CVSVGSTZECLBDP-NUJGCVRESA-N 2 2 370.538 0.647 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594389 1223820149 /nfs/dbraw/zinc/82/01/49/1223820149.db2.gz CVSVGSTZECLBDP-JFIYKMOQSA-N 2 2 370.538 0.647 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594389 1223820150 /nfs/dbraw/zinc/82/01/50/1223820150.db2.gz CVSVGSTZECLBDP-JFIYKMOQSA-N 2 2 370.538 0.647 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671329 1223830377 /nfs/dbraw/zinc/83/03/77/1223830377.db2.gz BKBGEYBKVZKNNQ-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671329 1223830379 /nfs/dbraw/zinc/83/03/79/1223830379.db2.gz BKBGEYBKVZKNNQ-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671329 1223830380 /nfs/dbraw/zinc/83/03/80/1223830380.db2.gz BKBGEYBKVZKNNQ-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213671329 1223830382 /nfs/dbraw/zinc/83/03/82/1223830382.db2.gz BKBGEYBKVZKNNQ-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213767279 1223846701 /nfs/dbraw/zinc/84/67/01/1223846701.db2.gz LHUTULWDTLJBEX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213767279 1223846703 /nfs/dbraw/zinc/84/67/03/1223846703.db2.gz LHUTULWDTLJBEX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213767279 1223846704 /nfs/dbraw/zinc/84/67/04/1223846704.db2.gz LHUTULWDTLJBEX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213767279 1223846706 /nfs/dbraw/zinc/84/67/06/1223846706.db2.gz LHUTULWDTLJBEX-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213767374 1223846711 /nfs/dbraw/zinc/84/67/11/1223846711.db2.gz QLPPEAAPYKYCRF-IAGOWNOFSA-N 2 2 362.474 0.443 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213767374 1223846712 /nfs/dbraw/zinc/84/67/12/1223846712.db2.gz QLPPEAAPYKYCRF-IAGOWNOFSA-N 2 2 362.474 0.443 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213767374 1223846714 /nfs/dbraw/zinc/84/67/14/1223846714.db2.gz QLPPEAAPYKYCRF-IAGOWNOFSA-N 2 2 362.474 0.443 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1OC ZINC001213767374 1223846715 /nfs/dbraw/zinc/84/67/15/1223846715.db2.gz QLPPEAAPYKYCRF-IAGOWNOFSA-N 2 2 362.474 0.443 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765102 1223846899 /nfs/dbraw/zinc/84/68/99/1223846899.db2.gz ULMOWKJUIVPZPZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765102 1223846902 /nfs/dbraw/zinc/84/69/02/1223846902.db2.gz ULMOWKJUIVPZPZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765102 1223846903 /nfs/dbraw/zinc/84/69/03/1223846903.db2.gz ULMOWKJUIVPZPZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765102 1223846905 /nfs/dbraw/zinc/84/69/05/1223846905.db2.gz ULMOWKJUIVPZPZ-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP O=C1C[C@]2(CN1CCN1CCOCC1)CCCC[N@@H+]2CCn1cc[nH+]c1 ZINC001276705164 1223849162 /nfs/dbraw/zinc/84/91/62/1223849162.db2.gz MAICYEYDPTZDOZ-IBGZPJMESA-N 2 2 361.490 0.672 20 0 FCADLP O=C1C[C@]2(CN1CCN1CCOCC1)CCCC[N@H+]2CCn1cc[nH+]c1 ZINC001276705164 1223849165 /nfs/dbraw/zinc/84/91/65/1223849165.db2.gz MAICYEYDPTZDOZ-IBGZPJMESA-N 2 2 361.490 0.672 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859945 1223862987 /nfs/dbraw/zinc/86/29/87/1223862987.db2.gz PAFYMZVKLKIYRH-NUEKZKHPSA-N 2 2 365.478 0.262 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859945 1223862989 /nfs/dbraw/zinc/86/29/89/1223862989.db2.gz PAFYMZVKLKIYRH-NUEKZKHPSA-N 2 2 365.478 0.262 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860178 1223863189 /nfs/dbraw/zinc/86/31/89/1223863189.db2.gz VRGAQWIFRHBHLQ-BRWVUGGUSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860178 1223863193 /nfs/dbraw/zinc/86/31/93/1223863193.db2.gz VRGAQWIFRHBHLQ-BRWVUGGUSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863063 1223863802 /nfs/dbraw/zinc/86/38/02/1223863802.db2.gz BLSNEYBMTUQRFX-KZNAEPCWSA-N 2 2 371.522 0.443 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863063 1223863804 /nfs/dbraw/zinc/86/38/04/1223863804.db2.gz BLSNEYBMTUQRFX-KZNAEPCWSA-N 2 2 371.522 0.443 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892444 1223868329 /nfs/dbraw/zinc/86/83/29/1223868329.db2.gz GECSAHRCPRDTJI-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892444 1223868331 /nfs/dbraw/zinc/86/83/31/1223868331.db2.gz GECSAHRCPRDTJI-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892444 1223868333 /nfs/dbraw/zinc/86/83/33/1223868333.db2.gz GECSAHRCPRDTJI-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2OC)C1 ZINC001213892444 1223868334 /nfs/dbraw/zinc/86/83/34/1223868334.db2.gz GECSAHRCPRDTJI-KURKYZTESA-N 2 2 371.522 0.585 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922100 1223872912 /nfs/dbraw/zinc/87/29/12/1223872912.db2.gz QWSDGDHDJWIKJH-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922100 1223872913 /nfs/dbraw/zinc/87/29/13/1223872913.db2.gz QWSDGDHDJWIKJH-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929936 1223875055 /nfs/dbraw/zinc/87/50/55/1223875055.db2.gz SDRTVTHVZNZQPQ-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929936 1223875057 /nfs/dbraw/zinc/87/50/57/1223875057.db2.gz SDRTVTHVZNZQPQ-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929936 1223875058 /nfs/dbraw/zinc/87/50/58/1223875058.db2.gz SDRTVTHVZNZQPQ-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929936 1223875059 /nfs/dbraw/zinc/87/50/59/1223875059.db2.gz SDRTVTHVZNZQPQ-OWCLPIDISA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001213931289 1223875216 /nfs/dbraw/zinc/87/52/16/1223875216.db2.gz IDZHAFBSNVFQER-KURKYZTESA-N 2 2 363.506 0.856 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001214531184 1223918885 /nfs/dbraw/zinc/91/88/85/1223918885.db2.gz REXMNKBOCNQTJG-HZSPNIEDSA-N 2 2 371.445 0.596 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672003 1223930497 /nfs/dbraw/zinc/93/04/97/1223930497.db2.gz CZHZGBRSIMRROV-NVXWUHKLSA-N 2 2 364.490 0.861 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812111 1223944787 /nfs/dbraw/zinc/94/47/87/1223944787.db2.gz SLYDDKDGPAYKKU-MBNYWOFBSA-N 2 2 364.450 0.013 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812111 1223944791 /nfs/dbraw/zinc/94/47/91/1223944791.db2.gz SLYDDKDGPAYKKU-MBNYWOFBSA-N 2 2 364.450 0.013 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CCNC(=O)C3CC3)C2)c[nH+]1 ZINC001214948753 1223958670 /nfs/dbraw/zinc/95/86/70/1223958670.db2.gz ZAWXYVYXJBWJKU-CZUORRHYSA-N 2 2 361.490 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215005658 1223962843 /nfs/dbraw/zinc/96/28/43/1223962843.db2.gz CPYMDDFIDNUDBV-FVQBIDKESA-N 2 2 359.474 0.408 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215008609 1223963351 /nfs/dbraw/zinc/96/33/51/1223963351.db2.gz UHPDMKZCNGOKSV-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005822 1223963497 /nfs/dbraw/zinc/96/34/97/1223963497.db2.gz IWMUCGHLVPHBAP-OWCLPIDISA-N 2 2 361.490 0.798 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008737 1223963694 /nfs/dbraw/zinc/96/36/94/1223963694.db2.gz YVIOJUYOCCEKTC-HLLBOEOZSA-N 2 2 361.490 0.798 20 0 FCADLP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024741 1223964889 /nfs/dbraw/zinc/96/48/89/1223964889.db2.gz PWVLXIMBQNYMHB-DVOMOZLQSA-N 2 2 365.478 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001215200500 1223981913 /nfs/dbraw/zinc/98/19/13/1223981913.db2.gz YQWKTJRVXBROQH-BZUAXINKSA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnc([C@H]2CCCOC2)o1 ZINC001215463100 1224000643 /nfs/dbraw/zinc/00/06/43/1224000643.db2.gz HYHVZMXEBVKVDF-QLFBSQMISA-N 2 2 365.478 0.852 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685751 1224012263 /nfs/dbraw/zinc/01/22/63/1224012263.db2.gz VHDZTMGQAWJOCW-IJEWVQPXSA-N 2 2 365.478 0.320 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215854392 1224020668 /nfs/dbraw/zinc/02/06/68/1224020668.db2.gz DFBOCCXLAVPCOS-JJRVBVJISA-N 2 2 365.478 0.178 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215854392 1224020671 /nfs/dbraw/zinc/02/06/71/1224020671.db2.gz DFBOCCXLAVPCOS-JJRVBVJISA-N 2 2 365.478 0.178 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001215998808 1224029255 /nfs/dbraw/zinc/02/92/55/1224029255.db2.gz CGJALFWIEZJVSQ-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001216066010 1224032336 /nfs/dbraw/zinc/03/23/36/1224032336.db2.gz XHJROQPTULJPTR-UMVBOHGHSA-N 2 2 359.430 0.687 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC001216065382 1224032699 /nfs/dbraw/zinc/03/26/99/1224032699.db2.gz PGORZLAVKXJLTD-NVXWUHKLSA-N 2 2 369.469 0.748 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(=O)N(C)C ZINC001216184944 1224038199 /nfs/dbraw/zinc/03/81/99/1224038199.db2.gz FNMMFTQJJXSDSJ-CKEIUWERSA-N 2 2 370.457 0.794 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216365885 1224046330 /nfs/dbraw/zinc/04/63/30/1224046330.db2.gz FTUWUCKGWWRJMJ-UKPHBRMFSA-N 2 2 359.430 0.325 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216398047 1224048679 /nfs/dbraw/zinc/04/86/79/1224048679.db2.gz ZGZSZYONGSKFDU-ZIAGYGMSSA-N 2 2 364.494 0.831 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216631179 1224059304 /nfs/dbraw/zinc/05/93/04/1224059304.db2.gz YAPUPRGVBZXNTO-GDBMZVCRSA-N 2 2 364.494 0.497 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216627302 1224059550 /nfs/dbraw/zinc/05/95/50/1224059550.db2.gz XCPAQJAQVLMEFQ-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)C1CC1 ZINC001216631251 1224059913 /nfs/dbraw/zinc/05/99/13/1224059913.db2.gz ZGIYKMLCVWXOIP-CKEIUWERSA-N 2 2 361.490 0.704 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216804671 1224074204 /nfs/dbraw/zinc/07/42/04/1224074204.db2.gz LOMBPMMWNZKIGA-KYJSFNMBSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001216975147 1224082563 /nfs/dbraw/zinc/08/25/63/1224082563.db2.gz QWGDLJKQKVYNEK-HUUCEWRRSA-N 2 2 361.446 0.249 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993633 1224083319 /nfs/dbraw/zinc/08/33/19/1224083319.db2.gz MUYNVFJGFCOCJQ-IXDOHACOSA-N 2 2 368.478 0.124 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720287 1226173652 /nfs/dbraw/zinc/17/36/52/1226173652.db2.gz WAQJICLHYKKFKW-HKUYNNGSSA-N 2 2 364.490 0.985 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277720287 1226173657 /nfs/dbraw/zinc/17/36/57/1226173657.db2.gz WAQJICLHYKKFKW-HKUYNNGSSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC000985441792 1248924530 /nfs/dbraw/zinc/92/45/30/1248924530.db2.gz KYLGKEBYDRXMTI-CZUORRHYSA-N 2 2 361.494 0.771 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC000985441792 1248924538 /nfs/dbraw/zinc/92/45/38/1248924538.db2.gz KYLGKEBYDRXMTI-CZUORRHYSA-N 2 2 361.494 0.771 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3nnnn3C3CC3)CC2)CC[NH+]1C ZINC000985441792 1248924547 /nfs/dbraw/zinc/92/45/47/1248924547.db2.gz KYLGKEBYDRXMTI-CZUORRHYSA-N 2 2 361.494 0.771 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3nnnn3C3CC3)CC2)CC[NH+]1C ZINC000985441792 1248924555 /nfs/dbraw/zinc/92/45/55/1248924555.db2.gz KYLGKEBYDRXMTI-CZUORRHYSA-N 2 2 361.494 0.771 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985497939 1248947511 /nfs/dbraw/zinc/94/75/11/1248947511.db2.gz JNCCMKLRNFLHEE-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985497939 1248947524 /nfs/dbraw/zinc/94/75/24/1248947524.db2.gz JNCCMKLRNFLHEE-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000987952595 1249273466 /nfs/dbraw/zinc/27/34/66/1249273466.db2.gz XMBJVZFBSKMGHZ-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000987952595 1249273472 /nfs/dbraw/zinc/27/34/72/1249273472.db2.gz XMBJVZFBSKMGHZ-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987953832 1249274255 /nfs/dbraw/zinc/27/42/55/1249274255.db2.gz NSDFKAMDFNVLAU-PBHICJAKSA-N 2 2 361.490 0.800 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CC1 ZINC000993314907 1249459002 /nfs/dbraw/zinc/45/90/02/1249459002.db2.gz BGXMCRUTCPQIOC-POZUXBRTSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993435478 1249531591 /nfs/dbraw/zinc/53/15/91/1249531591.db2.gz CPYFUUXWYRRRJA-TXPKVOOTSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993435478 1249531600 /nfs/dbraw/zinc/53/16/00/1249531600.db2.gz CPYFUUXWYRRRJA-TXPKVOOTSA-N 2 2 359.474 0.532 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000993570918 1249713034 /nfs/dbraw/zinc/71/30/34/1249713034.db2.gz FNNAIMRSYNRBQI-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000993570918 1249713041 /nfs/dbraw/zinc/71/30/41/1249713041.db2.gz FNNAIMRSYNRBQI-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993577609 1249723967 /nfs/dbraw/zinc/72/39/67/1249723967.db2.gz MFASEHIQCLJRIP-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993577609 1249723986 /nfs/dbraw/zinc/72/39/86/1249723986.db2.gz MFASEHIQCLJRIP-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993585462 1249740727 /nfs/dbraw/zinc/74/07/27/1249740727.db2.gz MMWZHQARCRJSBK-MCIONIFRSA-N 2 2 365.453 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000993585462 1249740740 /nfs/dbraw/zinc/74/07/40/1249740740.db2.gz MMWZHQARCRJSBK-MCIONIFRSA-N 2 2 365.453 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CC1CC1 ZINC000993591045 1249750775 /nfs/dbraw/zinc/75/07/75/1249750775.db2.gz JIWSZDMSUDJSNW-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)CC1CC1 ZINC000993591045 1249750792 /nfs/dbraw/zinc/75/07/92/1249750792.db2.gz JIWSZDMSUDJSNW-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)c1ccco1 ZINC000993608474 1249801188 /nfs/dbraw/zinc/80/11/88/1249801188.db2.gz VBVSWLWHSINAKC-RRFJBIMHSA-N 2 2 371.441 0.689 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)c1ccco1 ZINC000993608474 1249801202 /nfs/dbraw/zinc/80/12/02/1249801202.db2.gz VBVSWLWHSINAKC-RRFJBIMHSA-N 2 2 371.441 0.689 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1c1c[nH+]cn1C ZINC000993612809 1249814257 /nfs/dbraw/zinc/81/42/57/1249814257.db2.gz RKBLNPIPIGPDSR-HUUCEWRRSA-N 2 2 370.457 0.836 20 0 FCADLP CC(C)C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1c[nH+]cn1C ZINC000993615530 1249825948 /nfs/dbraw/zinc/82/59/48/1249825948.db2.gz ZMCMVOVKOROHSA-ARFHVFGLSA-N 2 2 361.490 0.829 20 0 FCADLP CC(C)C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1c[nH+]cn1C ZINC000993615530 1249825962 /nfs/dbraw/zinc/82/59/62/1249825962.db2.gz ZMCMVOVKOROHSA-ARFHVFGLSA-N 2 2 361.490 0.829 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1c[nH+]cn1C ZINC000993625658 1249859131 /nfs/dbraw/zinc/85/91/31/1249859131.db2.gz UNQKPZHGACPTMJ-OXGONZEZSA-N 2 2 359.474 0.581 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1c[nH+]cn1C ZINC000993625658 1249859150 /nfs/dbraw/zinc/85/91/50/1249859150.db2.gz UNQKPZHGACPTMJ-OXGONZEZSA-N 2 2 359.474 0.581 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC000051854059 1245298121 /nfs/dbraw/zinc/29/81/21/1245298121.db2.gz QLPBOFWZMRHQJT-UHFFFAOYSA-N 2 2 368.522 0.093 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC000051854059 1245298122 /nfs/dbraw/zinc/29/81/22/1245298122.db2.gz QLPBOFWZMRHQJT-UHFFFAOYSA-N 2 2 368.522 0.093 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000897319122 1245470461 /nfs/dbraw/zinc/47/04/61/1245470461.db2.gz XEYOMFMYDYOGPC-HNNXBMFYSA-N 2 2 356.430 0.522 20 0 FCADLP Cc1ccc(NCCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[nH+]c1 ZINC000917822647 1245561354 /nfs/dbraw/zinc/56/13/54/1245561354.db2.gz USOJIXOAFAJHAI-UHFFFAOYSA-N 2 2 362.478 0.654 20 0 FCADLP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C)c1 ZINC000923334976 1245710721 /nfs/dbraw/zinc/71/07/21/1245710721.db2.gz ZGBKCGKMTMZVKZ-ZWKOTPCHSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C)c1 ZINC000923334976 1245710727 /nfs/dbraw/zinc/71/07/27/1245710727.db2.gz ZGBKCGKMTMZVKZ-ZWKOTPCHSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c[nH+]1 ZINC000938039744 1245813816 /nfs/dbraw/zinc/81/38/16/1245813816.db2.gz DGNOAIHWLJIKJN-OWCLPIDISA-N 2 2 361.490 0.984 20 0 FCADLP 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FCADLP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000997858539 1251728383 /nfs/dbraw/zinc/72/83/83/1251728383.db2.gz GOLJHGOQKHHCEH-XJKCOSOUSA-N 2 2 364.494 0.721 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000998096068 1251778440 /nfs/dbraw/zinc/77/84/40/1251778440.db2.gz ZIURYDOHTQAXPQ-OAGGEKHMSA-N 2 2 359.474 0.583 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC000998630889 1251932095 /nfs/dbraw/zinc/93/20/95/1251932095.db2.gz MTOOEYDXUFCULO-YVSFHVDLSA-N 2 2 359.474 0.863 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC000998630889 1251932104 /nfs/dbraw/zinc/93/21/04/1251932104.db2.gz MTOOEYDXUFCULO-YVSFHVDLSA-N 2 2 359.474 0.863 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001001842926 1252375895 /nfs/dbraw/zinc/37/58/95/1252375895.db2.gz VULGNVOLNQVQSR-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001002868269 1252720845 /nfs/dbraw/zinc/72/08/45/1252720845.db2.gz PSBCYEGVZJRWQU-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001002868269 1252720851 /nfs/dbraw/zinc/72/08/51/1252720851.db2.gz PSBCYEGVZJRWQU-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001002868269 1252720857 /nfs/dbraw/zinc/72/08/57/1252720857.db2.gz PSBCYEGVZJRWQU-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001002868269 1252720865 /nfs/dbraw/zinc/72/08/65/1252720865.db2.gz PSBCYEGVZJRWQU-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001002868184 1252721170 /nfs/dbraw/zinc/72/11/70/1252721170.db2.gz MNJWXQYHEQCPCW-KLZNWCGWSA-N 2 2 359.474 0.818 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001002868184 1252721173 /nfs/dbraw/zinc/72/11/73/1252721173.db2.gz MNJWXQYHEQCPCW-KLZNWCGWSA-N 2 2 359.474 0.818 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001002868184 1252721178 /nfs/dbraw/zinc/72/11/78/1252721178.db2.gz MNJWXQYHEQCPCW-KLZNWCGWSA-N 2 2 359.474 0.818 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001002868184 1252721183 /nfs/dbraw/zinc/72/11/83/1252721183.db2.gz MNJWXQYHEQCPCW-KLZNWCGWSA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950177 1252748464 /nfs/dbraw/zinc/74/84/64/1252748464.db2.gz VXHKHURQPMSMJC-XDNAFOTISA-N 2 2 371.485 0.863 20 0 FCADLP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003140558 1252790106 /nfs/dbraw/zinc/79/01/06/1252790106.db2.gz SDVOMCXCJRNRRS-RHSMWYFYSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001003140558 1252790112 /nfs/dbraw/zinc/79/01/12/1252790112.db2.gz SDVOMCXCJRNRRS-RHSMWYFYSA-N 2 2 362.474 0.890 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001518771854 1265679786 /nfs/dbraw/zinc/67/97/86/1265679786.db2.gz BUXLXCXHDXYCJR-YYIAUSFCSA-N 2 2 369.554 0.808 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001518771854 1265679791 /nfs/dbraw/zinc/67/97/91/1265679791.db2.gz BUXLXCXHDXYCJR-YYIAUSFCSA-N 2 2 369.554 0.808 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001003652850 1253034577 /nfs/dbraw/zinc/03/45/77/1253034577.db2.gz PZKQTXRXCCIRMG-HUUCEWRRSA-N 2 2 360.462 0.129 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001004286587 1253274903 /nfs/dbraw/zinc/27/49/03/1253274903.db2.gz CXJMSHVAFSCGNZ-KFWWJZLASA-N 2 2 357.458 0.829 20 0 FCADLP CNC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004456375 1253330188 /nfs/dbraw/zinc/33/01/88/1253330188.db2.gz FIQHCKLKDCTNBQ-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004456375 1253330196 /nfs/dbraw/zinc/33/01/96/1253330196.db2.gz FIQHCKLKDCTNBQ-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004456375 1253330213 /nfs/dbraw/zinc/33/02/13/1253330213.db2.gz FIQHCKLKDCTNBQ-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004456375 1253330231 /nfs/dbraw/zinc/33/02/31/1253330231.db2.gz FIQHCKLKDCTNBQ-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001004518768 1253349946 /nfs/dbraw/zinc/34/99/46/1253349946.db2.gz IYUVPCJGMXIYOS-FVQBIDKESA-N 2 2 359.474 0.440 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001004518768 1253349955 /nfs/dbraw/zinc/34/99/55/1253349955.db2.gz IYUVPCJGMXIYOS-FVQBIDKESA-N 2 2 359.474 0.440 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001004814354 1253410853 /nfs/dbraw/zinc/41/08/53/1253410853.db2.gz IZPDKINCKSGLRJ-JFOHDYCDSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001004814354 1253410859 /nfs/dbraw/zinc/41/08/59/1253410859.db2.gz IZPDKINCKSGLRJ-JFOHDYCDSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001004816276 1253413081 /nfs/dbraw/zinc/41/30/81/1253413081.db2.gz ISXUNWPNMZKVHH-AHCXZYCDSA-N 2 2 371.485 0.851 20 0 FCADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001005585977 1253583457 /nfs/dbraw/zinc/58/34/57/1253583457.db2.gz SZRAALMEEYIHQB-CRAIPNDOSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001005585977 1253583469 /nfs/dbraw/zinc/58/34/69/1253583469.db2.gz SZRAALMEEYIHQB-CRAIPNDOSA-N 2 2 361.490 0.927 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005584891 1253584748 /nfs/dbraw/zinc/58/47/48/1253584748.db2.gz ODKMJWORIAXKIM-CKEIUWERSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005584891 1253584753 /nfs/dbraw/zinc/58/47/53/1253584753.db2.gz ODKMJWORIAXKIM-CKEIUWERSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001006180124 1253719906 /nfs/dbraw/zinc/71/99/06/1253719906.db2.gz GFWZGYUBEGZTDH-UMVBOHGHSA-N 2 2 361.490 0.991 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001006180124 1253719910 /nfs/dbraw/zinc/71/99/10/1253719910.db2.gz GFWZGYUBEGZTDH-UMVBOHGHSA-N 2 2 361.490 0.991 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001519783283 1265770973 /nfs/dbraw/zinc/77/09/73/1265770973.db2.gz AJHGBWJXBKKQSJ-CQSZACIVSA-N 2 2 356.492 0.320 20 0 FCADLP CCn1nncc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463642 1253854622 /nfs/dbraw/zinc/85/46/22/1253854622.db2.gz GDWAHIHHWCAOOO-HLLBOEOZSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463642 1253854627 /nfs/dbraw/zinc/85/46/27/1253854627.db2.gz GDWAHIHHWCAOOO-HLLBOEOZSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027463642 1253854635 /nfs/dbraw/zinc/85/46/35/1253854635.db2.gz GDWAHIHHWCAOOO-HLLBOEOZSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027463642 1253854639 /nfs/dbraw/zinc/85/46/39/1253854639.db2.gz GDWAHIHHWCAOOO-HLLBOEOZSA-N 2 2 364.494 0.440 20 0 FCADLP Cc1ncc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464123 1253855545 /nfs/dbraw/zinc/85/55/45/1253855545.db2.gz KBRNHWZMANIQNK-ZTFGCOKTSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ncc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464123 1253855556 /nfs/dbraw/zinc/85/55/56/1253855556.db2.gz KBRNHWZMANIQNK-ZTFGCOKTSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ncc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464123 1253855560 /nfs/dbraw/zinc/85/55/60/1253855560.db2.gz KBRNHWZMANIQNK-ZTFGCOKTSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ncc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464123 1253855565 /nfs/dbraw/zinc/85/55/65/1253855565.db2.gz KBRNHWZMANIQNK-ZTFGCOKTSA-N 2 2 361.490 0.927 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001031770259 1253893247 /nfs/dbraw/zinc/89/32/47/1253893247.db2.gz XRYNFEYADPNYAI-CXAGYDPISA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001031770259 1253893253 /nfs/dbraw/zinc/89/32/53/1253893253.db2.gz XRYNFEYADPNYAI-CXAGYDPISA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cn(C)nc3C(F)F)C2)O1 ZINC001031765172 1253894924 /nfs/dbraw/zinc/89/49/24/1253894924.db2.gz CQLBZOLZCDDGJV-BXUZGUMPSA-N 2 2 371.432 0.625 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cn(C)nc3C(F)F)C2)O1 ZINC001031765172 1253894935 /nfs/dbraw/zinc/89/49/35/1253894935.db2.gz CQLBZOLZCDDGJV-BXUZGUMPSA-N 2 2 371.432 0.625 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@H]3C)C2)O1 ZINC001031765510 1253895639 /nfs/dbraw/zinc/89/56/39/1253895639.db2.gz IHTGQTHPQVJKEL-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCCC[C@H]3C)C2)O1 ZINC001031765510 1253895649 /nfs/dbraw/zinc/89/56/49/1253895649.db2.gz IHTGQTHPQVJKEL-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001034673723 1253999364 /nfs/dbraw/zinc/99/93/64/1253999364.db2.gz AEMAHKZDEWDPER-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001034673723 1253999386 /nfs/dbraw/zinc/99/93/86/1253999386.db2.gz AEMAHKZDEWDPER-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)nn1 ZINC001034737380 1254005176 /nfs/dbraw/zinc/00/51/76/1254005176.db2.gz AACFRENIYUYUFW-RRCSTGOVSA-N 2 2 357.462 0.869 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001329703319 1265817262 /nfs/dbraw/zinc/81/72/62/1265817262.db2.gz MFLCICCZQHGDSC-YRBFXIGRSA-N 2 2 372.473 0.006 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001329703319 1265817273 /nfs/dbraw/zinc/81/72/73/1265817273.db2.gz MFLCICCZQHGDSC-YRBFXIGRSA-N 2 2 372.473 0.006 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC2)CC[N@@H+]1C ZINC001063227317 1254317477 /nfs/dbraw/zinc/31/74/77/1254317477.db2.gz MLLQSJOBGIGRFG-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC2)CC[N@H+]1C ZINC001063227317 1254317488 /nfs/dbraw/zinc/31/74/88/1254317488.db2.gz MLLQSJOBGIGRFG-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001063227317 1254317497 /nfs/dbraw/zinc/31/74/97/1254317497.db2.gz MLLQSJOBGIGRFG-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC2)CC[NH+]1C ZINC001063227317 1254317504 /nfs/dbraw/zinc/31/75/04/1254317504.db2.gz MLLQSJOBGIGRFG-ARFHVFGLSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(NCC1(NC(=O)C23CC[NH+](CC2)C3)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001063489640 1254347132 /nfs/dbraw/zinc/34/71/32/1254347132.db2.gz PJPRNLPDMBLJET-ZIAGYGMSSA-N 2 2 357.458 0.764 20 0 FCADLP O=C(NCC1(NC(=O)C23CC[NH+](CC2)C3)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001063489640 1254347136 /nfs/dbraw/zinc/34/71/36/1254347136.db2.gz PJPRNLPDMBLJET-ZIAGYGMSSA-N 2 2 357.458 0.764 20 0 FCADLP COCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001065681485 1254576523 /nfs/dbraw/zinc/57/65/23/1254576523.db2.gz VACMOQZGHMFCPA-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001065681485 1254576541 /nfs/dbraw/zinc/57/65/41/1254576541.db2.gz VACMOQZGHMFCPA-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1 ZINC001065709663 1254582021 /nfs/dbraw/zinc/58/20/21/1254582021.db2.gz YBZKQEBYPPOJBQ-FUHIMQAGSA-N 2 2 362.518 0.873 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077567047 1254704472 /nfs/dbraw/zinc/70/44/72/1254704472.db2.gz YIFDCEDTJFYCCM-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077567047 1254704489 /nfs/dbraw/zinc/70/44/89/1254704489.db2.gz YIFDCEDTJFYCCM-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567047 1254704501 /nfs/dbraw/zinc/70/45/01/1254704501.db2.gz YIFDCEDTJFYCCM-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567047 1254704515 /nfs/dbraw/zinc/70/45/15/1254704515.db2.gz YIFDCEDTJFYCCM-KZNAEPCWSA-N 2 2 362.474 0.161 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3occc3C[NH+](C)C)C2)cn1 ZINC001077582619 1254732773 /nfs/dbraw/zinc/73/27/73/1254732773.db2.gz MWPGCZXKYMIOOZ-HZPDHXFCSA-N 2 2 361.446 0.092 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3occc3C[NH+](C)C)C2)cn1 ZINC001077582619 1254732779 /nfs/dbraw/zinc/73/27/79/1254732779.db2.gz MWPGCZXKYMIOOZ-HZPDHXFCSA-N 2 2 361.446 0.092 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680553 1254868273 /nfs/dbraw/zinc/86/82/73/1254868273.db2.gz MVPLYTKPWYFQME-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680553 1254868283 /nfs/dbraw/zinc/86/82/83/1254868283.db2.gz MVPLYTKPWYFQME-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680553 1254868299 /nfs/dbraw/zinc/86/82/99/1254868299.db2.gz MVPLYTKPWYFQME-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2O)C1 ZINC001077680553 1254868309 /nfs/dbraw/zinc/86/83/09/1254868309.db2.gz MVPLYTKPWYFQME-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680762 1254871013 /nfs/dbraw/zinc/87/10/13/1254871013.db2.gz VXJKFIZXZKHZID-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680762 1254871022 /nfs/dbraw/zinc/87/10/22/1254871022.db2.gz VXJKFIZXZKHZID-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680762 1254871036 /nfs/dbraw/zinc/87/10/36/1254871036.db2.gz VXJKFIZXZKHZID-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077680762 1254871048 /nfs/dbraw/zinc/87/10/48/1254871048.db2.gz VXJKFIZXZKHZID-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@H]1O)C2 ZINC001077682983 1254875733 /nfs/dbraw/zinc/87/57/33/1254875733.db2.gz UFOZBKFUFBRXRX-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@H]1O)C2 ZINC001077682983 1254875748 /nfs/dbraw/zinc/87/57/48/1254875748.db2.gz UFOZBKFUFBRXRX-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941513 1255113542 /nfs/dbraw/zinc/11/35/42/1255113542.db2.gz TVENRFGRALBEJA-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941513 1255113548 /nfs/dbraw/zinc/11/35/48/1255113548.db2.gz TVENRFGRALBEJA-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078007386 1255164610 /nfs/dbraw/zinc/16/46/10/1255164610.db2.gz QIXYFUISBTXCNH-RTBURBONSA-N 2 2 370.453 0.397 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078007386 1255164615 /nfs/dbraw/zinc/16/46/15/1255164615.db2.gz QIXYFUISBTXCNH-RTBURBONSA-N 2 2 370.453 0.397 20 0 FCADLP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078179191 1255293375 /nfs/dbraw/zinc/29/33/75/1255293375.db2.gz YFXAIWKKBOPMTQ-QZTJIDSGSA-N 2 2 363.458 0.331 20 0 FCADLP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078179191 1255293379 /nfs/dbraw/zinc/29/33/79/1255293379.db2.gz YFXAIWKKBOPMTQ-QZTJIDSGSA-N 2 2 363.458 0.331 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001078209195 1255324558 /nfs/dbraw/zinc/32/45/58/1255324558.db2.gz CWLDWDLNFAKRIM-BCKYCOLUSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001078209195 1255324568 /nfs/dbraw/zinc/32/45/68/1255324568.db2.gz CWLDWDLNFAKRIM-BCKYCOLUSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001078209195 1255324573 /nfs/dbraw/zinc/32/45/73/1255324573.db2.gz CWLDWDLNFAKRIM-BCKYCOLUSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001078209195 1255324577 /nfs/dbraw/zinc/32/45/77/1255324577.db2.gz CWLDWDLNFAKRIM-BCKYCOLUSA-N 2 2 359.470 0.582 20 0 FCADLP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129932 1255444435 /nfs/dbraw/zinc/44/44/35/1255444435.db2.gz OUYWTSNHRORYLQ-IPMKNSEASA-N 2 2 361.486 0.801 20 0 FCADLP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129932 1255444438 /nfs/dbraw/zinc/44/44/38/1255444438.db2.gz OUYWTSNHRORYLQ-IPMKNSEASA-N 2 2 361.486 0.801 20 0 FCADLP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079129932 1255444443 /nfs/dbraw/zinc/44/44/43/1255444443.db2.gz OUYWTSNHRORYLQ-IPMKNSEASA-N 2 2 361.486 0.801 20 0 FCADLP COCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079129932 1255444445 /nfs/dbraw/zinc/44/44/45/1255444445.db2.gz OUYWTSNHRORYLQ-IPMKNSEASA-N 2 2 361.486 0.801 20 0 FCADLP CC(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231481 1255480068 /nfs/dbraw/zinc/48/00/68/1255480068.db2.gz MOTMDNRJNUZSEJ-KSZLIROESA-N 2 2 365.518 0.912 20 0 FCADLP CC(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231481 1255480072 /nfs/dbraw/zinc/48/00/72/1255480072.db2.gz MOTMDNRJNUZSEJ-KSZLIROESA-N 2 2 365.518 0.912 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526953 1255534790 /nfs/dbraw/zinc/53/47/90/1255534790.db2.gz XWQRWMFBVIPURC-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526953 1255534800 /nfs/dbraw/zinc/53/48/00/1255534800.db2.gz XWQRWMFBVIPURC-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526953 1255534807 /nfs/dbraw/zinc/53/48/07/1255534807.db2.gz XWQRWMFBVIPURC-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526953 1255534815 /nfs/dbraw/zinc/53/48/15/1255534815.db2.gz XWQRWMFBVIPURC-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079947317 1255677157 /nfs/dbraw/zinc/67/71/57/1255677157.db2.gz VQVLTCNBYNDYCX-BFYDXBDKSA-N 2 2 359.474 0.913 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991545 1255696504 /nfs/dbraw/zinc/69/65/04/1255696504.db2.gz LOFUWFFXBVQDGP-HYVNUMGLSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991545 1255696510 /nfs/dbraw/zinc/69/65/10/1255696510.db2.gz LOFUWFFXBVQDGP-HYVNUMGLSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080011037 1255705596 /nfs/dbraw/zinc/70/55/96/1255705596.db2.gz YPBUMBTVYMKANH-CXAGYDPISA-N 2 2 360.462 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080011037 1255705603 /nfs/dbraw/zinc/70/56/03/1255705603.db2.gz YPBUMBTVYMKANH-CXAGYDPISA-N 2 2 360.462 0.763 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001080014327 1255707876 /nfs/dbraw/zinc/70/78/76/1255707876.db2.gz QTCSHPJUKSMTPW-HUUCEWRRSA-N 2 2 363.462 0.151 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001080014327 1255707881 /nfs/dbraw/zinc/70/78/81/1255707881.db2.gz QTCSHPJUKSMTPW-HUUCEWRRSA-N 2 2 363.462 0.151 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783364 1256036103 /nfs/dbraw/zinc/03/61/03/1256036103.db2.gz RHWKQHGGOSXXDU-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783364 1256036112 /nfs/dbraw/zinc/03/61/12/1256036112.db2.gz RHWKQHGGOSXXDU-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001080946822 1256107228 /nfs/dbraw/zinc/10/72/28/1256107228.db2.gz MXLWXRZLZYTJCP-CXAGYDPISA-N 2 2 355.442 0.927 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001080946822 1256107234 /nfs/dbraw/zinc/10/72/34/1256107234.db2.gz MXLWXRZLZYTJCP-CXAGYDPISA-N 2 2 355.442 0.927 20 0 FCADLP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2c2ccccc2)C1=O ZINC001081189403 1256201148 /nfs/dbraw/zinc/20/11/48/1256201148.db2.gz SXIMAVUMKCYCMB-RCCFBDPRSA-N 2 2 367.453 0.767 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1)C(N)=O ZINC001081233753 1256213793 /nfs/dbraw/zinc/21/37/93/1256213793.db2.gz KUSDJLCPIJOYSE-YESZJQIVSA-N 2 2 355.442 0.731 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2ccccc2)n1 ZINC001081233961 1256214790 /nfs/dbraw/zinc/21/47/90/1256214790.db2.gz RBKYETBPSBEDEK-ZWKOTPCHSA-N 2 2 365.441 0.796 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481461 1256270033 /nfs/dbraw/zinc/27/00/33/1256270033.db2.gz JGIMZCRIEMFGMH-XGZFVWFJSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481461 1256270037 /nfs/dbraw/zinc/27/00/37/1256270037.db2.gz JGIMZCRIEMFGMH-XGZFVWFJSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481461 1256270042 /nfs/dbraw/zinc/27/00/42/1256270042.db2.gz JGIMZCRIEMFGMH-XGZFVWFJSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\c2ccccc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481461 1256270047 /nfs/dbraw/zinc/27/00/47/1256270047.db2.gz JGIMZCRIEMFGMH-XGZFVWFJSA-N 2 2 359.470 0.846 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481441 1256271678 /nfs/dbraw/zinc/27/16/78/1256271678.db2.gz IWDZMSNLOXMMDP-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481441 1256271688 /nfs/dbraw/zinc/27/16/88/1256271688.db2.gz IWDZMSNLOXMMDP-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481441 1256271691 /nfs/dbraw/zinc/27/16/91/1256271691.db2.gz IWDZMSNLOXMMDP-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481441 1256271697 /nfs/dbraw/zinc/27/16/97/1256271697.db2.gz IWDZMSNLOXMMDP-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766883 1256359341 /nfs/dbraw/zinc/35/93/41/1256359341.db2.gz IDVXNKGYDNWMED-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766883 1256359348 /nfs/dbraw/zinc/35/93/48/1256359348.db2.gz IDVXNKGYDNWMED-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766883 1256359356 /nfs/dbraw/zinc/35/93/56/1256359356.db2.gz IDVXNKGYDNWMED-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001081766883 1256359363 /nfs/dbraw/zinc/35/93/63/1256359363.db2.gz IDVXNKGYDNWMED-FGTMMUONSA-N 2 2 363.506 0.918 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081796347 1256375373 /nfs/dbraw/zinc/37/53/73/1256375373.db2.gz QHOABSBGVRHACC-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081796347 1256375379 /nfs/dbraw/zinc/37/53/79/1256375379.db2.gz QHOABSBGVRHACC-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001081796347 1256375384 /nfs/dbraw/zinc/37/53/84/1256375384.db2.gz QHOABSBGVRHACC-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796347 1256375387 /nfs/dbraw/zinc/37/53/87/1256375387.db2.gz QHOABSBGVRHACC-CGTJXYLNSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880049 1256427457 /nfs/dbraw/zinc/42/74/57/1256427457.db2.gz HRNNAICMMOIJTN-IAOVAPTHSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880049 1256427460 /nfs/dbraw/zinc/42/74/60/1256427460.db2.gz HRNNAICMMOIJTN-IAOVAPTHSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900024 1256443476 /nfs/dbraw/zinc/44/34/76/1256443476.db2.gz WUBIBKDHKRTSAK-CSMYWGQOSA-N 2 2 371.441 0.430 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900024 1256443477 /nfs/dbraw/zinc/44/34/77/1256443477.db2.gz WUBIBKDHKRTSAK-CSMYWGQOSA-N 2 2 371.441 0.430 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948164 1256467346 /nfs/dbraw/zinc/46/73/46/1256467346.db2.gz LUHCFXVVTIYOSX-APHBMKBZSA-N 2 2 359.430 0.240 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948164 1256467349 /nfs/dbraw/zinc/46/73/49/1256467349.db2.gz LUHCFXVVTIYOSX-APHBMKBZSA-N 2 2 359.430 0.240 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977863 1256480127 /nfs/dbraw/zinc/48/01/27/1256480127.db2.gz ZZWARPBERRQQLJ-ZJPYXAASSA-N 2 2 369.506 0.482 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977863 1256480129 /nfs/dbraw/zinc/48/01/29/1256480129.db2.gz ZZWARPBERRQQLJ-ZJPYXAASSA-N 2 2 369.506 0.482 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001082241565 1256605059 /nfs/dbraw/zinc/60/50/59/1256605059.db2.gz XVFOGOHMCQFSIR-BRWVUGGUSA-N 2 2 360.458 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001082241565 1256605061 /nfs/dbraw/zinc/60/50/61/1256605061.db2.gz XVFOGOHMCQFSIR-BRWVUGGUSA-N 2 2 360.458 0.066 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318132 1256656868 /nfs/dbraw/zinc/65/68/68/1256656868.db2.gz ZDWFUTSWHXTJMF-KBRIMQKVSA-N 2 2 366.506 0.058 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318132 1256656875 /nfs/dbraw/zinc/65/68/75/1256656875.db2.gz ZDWFUTSWHXTJMF-KBRIMQKVSA-N 2 2 366.506 0.058 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)c1 ZINC001082326272 1256665658 /nfs/dbraw/zinc/66/56/58/1256665658.db2.gz WKAUUVNAMAUGJU-BMGDILEWSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)c1 ZINC001082326272 1256665664 /nfs/dbraw/zinc/66/56/64/1256665664.db2.gz WKAUUVNAMAUGJU-BMGDILEWSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)c1 ZINC001082326272 1256665671 /nfs/dbraw/zinc/66/56/71/1256665671.db2.gz WKAUUVNAMAUGJU-BMGDILEWSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)c1 ZINC001082326272 1256665678 /nfs/dbraw/zinc/66/56/78/1256665678.db2.gz WKAUUVNAMAUGJU-BMGDILEWSA-N 2 2 362.474 0.747 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326917 1256667936 /nfs/dbraw/zinc/66/79/36/1256667936.db2.gz UYFFTTTYFROHFD-ZMSDIMECSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326917 1256667940 /nfs/dbraw/zinc/66/79/40/1256667940.db2.gz UYFFTTTYFROHFD-ZMSDIMECSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326917 1256667943 /nfs/dbraw/zinc/66/79/43/1256667943.db2.gz UYFFTTTYFROHFD-ZMSDIMECSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326917 1256667948 /nfs/dbraw/zinc/66/79/48/1256667948.db2.gz UYFFTTTYFROHFD-ZMSDIMECSA-N 2 2 364.494 0.264 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326712 1256668482 /nfs/dbraw/zinc/66/84/82/1256668482.db2.gz ODTMDIXMHDGHLC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)cn1 ZINC001082326712 1256668485 /nfs/dbraw/zinc/66/84/85/1256668485.db2.gz ODTMDIXMHDGHLC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326712 1256668490 /nfs/dbraw/zinc/66/84/90/1256668490.db2.gz ODTMDIXMHDGHLC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)cn1 ZINC001082326712 1256668495 /nfs/dbraw/zinc/66/84/95/1256668495.db2.gz ODTMDIXMHDGHLC-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326695 1256668928 /nfs/dbraw/zinc/66/89/28/1256668928.db2.gz NRTBLUZYSWLVRO-USXIJHARSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326695 1256668932 /nfs/dbraw/zinc/66/89/32/1256668932.db2.gz NRTBLUZYSWLVRO-USXIJHARSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326695 1256668937 /nfs/dbraw/zinc/66/89/37/1256668937.db2.gz NRTBLUZYSWLVRO-USXIJHARSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326695 1256668940 /nfs/dbraw/zinc/66/89/40/1256668940.db2.gz NRTBLUZYSWLVRO-USXIJHARSA-N 2 2 366.506 0.202 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328529 1256671384 /nfs/dbraw/zinc/67/13/84/1256671384.db2.gz YTKIDJPIDAGORX-GDBMZVCRSA-N 2 2 362.478 0.018 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328529 1256671390 /nfs/dbraw/zinc/67/13/90/1256671390.db2.gz YTKIDJPIDAGORX-GDBMZVCRSA-N 2 2 362.478 0.018 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368955 1256716349 /nfs/dbraw/zinc/71/63/49/1256716349.db2.gz SYTCKJYWEGUMEB-FVQBIDKESA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368955 1256716352 /nfs/dbraw/zinc/71/63/52/1256716352.db2.gz SYTCKJYWEGUMEB-FVQBIDKESA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368955 1256716356 /nfs/dbraw/zinc/71/63/56/1256716356.db2.gz SYTCKJYWEGUMEB-FVQBIDKESA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368955 1256716360 /nfs/dbraw/zinc/71/63/60/1256716360.db2.gz SYTCKJYWEGUMEB-FVQBIDKESA-N 2 2 363.462 0.061 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372062 1256722417 /nfs/dbraw/zinc/72/24/17/1256722417.db2.gz QRMVZARFZKXHFY-OWCLPIDISA-N 2 2 363.462 0.016 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372062 1256722421 /nfs/dbraw/zinc/72/24/21/1256722421.db2.gz QRMVZARFZKXHFY-OWCLPIDISA-N 2 2 363.462 0.016 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384659 1256736307 /nfs/dbraw/zinc/73/63/07/1256736307.db2.gz GWYLNWXSAIXZAE-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384659 1256736308 /nfs/dbraw/zinc/73/63/08/1256736308.db2.gz GWYLNWXSAIXZAE-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384659 1256736311 /nfs/dbraw/zinc/73/63/11/1256736311.db2.gz GWYLNWXSAIXZAE-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384659 1256736313 /nfs/dbraw/zinc/73/63/13/1256736313.db2.gz GWYLNWXSAIXZAE-KZNAEPCWSA-N 2 2 363.506 0.652 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394834 1256744308 /nfs/dbraw/zinc/74/43/08/1256744308.db2.gz IIGNSUUCTJNJBU-RTBURBONSA-N 2 2 370.453 0.971 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394834 1256744311 /nfs/dbraw/zinc/74/43/11/1256744311.db2.gz IIGNSUUCTJNJBU-RTBURBONSA-N 2 2 370.453 0.971 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC001082458624 1256770775 /nfs/dbraw/zinc/77/07/75/1256770775.db2.gz XJJGQTUDAOWICL-MRVWCRGKSA-N 2 2 371.432 0.625 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC001082458624 1256770782 /nfs/dbraw/zinc/77/07/82/1256770782.db2.gz XJJGQTUDAOWICL-MRVWCRGKSA-N 2 2 371.432 0.625 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001082458983 1256771258 /nfs/dbraw/zinc/77/12/58/1256771258.db2.gz DIXJYJOSRCUHDJ-BMFZPTHFSA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001082458983 1256771259 /nfs/dbraw/zinc/77/12/59/1256771259.db2.gz DIXJYJOSRCUHDJ-BMFZPTHFSA-N 2 2 364.494 0.300 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+]CCn4cncn4)C3)ccn12 ZINC001082511581 1256797009 /nfs/dbraw/zinc/79/70/09/1256797009.db2.gz DKCSTWBRYLLKPI-CZUORRHYSA-N 2 2 353.430 0.985 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001082521591 1256804591 /nfs/dbraw/zinc/80/45/91/1256804591.db2.gz OOXLIJAGEZDGJL-MGPQQGTHSA-N 2 2 360.466 0.557 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001082520709 1256804829 /nfs/dbraw/zinc/80/48/29/1256804829.db2.gz OPDOPWQTJUUKJF-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001082520709 1256804842 /nfs/dbraw/zinc/80/48/42/1256804842.db2.gz OPDOPWQTJUUKJF-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082525256 1256807905 /nfs/dbraw/zinc/80/79/05/1256807905.db2.gz HXSZVJKGHWNJSD-CZUORRHYSA-N 2 2 357.462 0.527 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082525602 1256810170 /nfs/dbraw/zinc/81/01/70/1256810170.db2.gz YARHRQDZNQKXNO-UKRRQHHQSA-N 2 2 357.462 0.527 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C)n1 ZINC001082562045 1256859689 /nfs/dbraw/zinc/85/96/89/1256859689.db2.gz JTKRUHSXGGKTBA-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)n1 ZINC001082562045 1256859702 /nfs/dbraw/zinc/85/97/02/1256859702.db2.gz JTKRUHSXGGKTBA-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082593642 1256907291 /nfs/dbraw/zinc/90/72/91/1256907291.db2.gz VMKNEZYUSXDGHQ-CXAGYDPISA-N 2 2 371.441 0.472 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)nn1 ZINC001082601820 1256912368 /nfs/dbraw/zinc/91/23/68/1256912368.db2.gz XYPOBBJBBUHTKH-JKIFEVAISA-N 2 2 357.462 0.694 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)nn1 ZINC001082604437 1256915534 /nfs/dbraw/zinc/91/55/34/1256915534.db2.gz PLBRPJUPNPRKDC-CKEIUWERSA-N 2 2 357.462 0.694 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)c1nncn1C ZINC001082609235 1256920547 /nfs/dbraw/zinc/92/05/47/1256920547.db2.gz YEFHEIKMVPSYKC-LALPHHSUSA-N 2 2 361.450 0.676 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc3c2COCC3)C1 ZINC001082646756 1256952690 /nfs/dbraw/zinc/95/26/90/1256952690.db2.gz PRPIDUCNIXKKKQ-MLGOLLRUSA-N 2 2 359.430 0.889 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C)C1)CC2 ZINC001082708645 1257002458 /nfs/dbraw/zinc/00/24/58/1257002458.db2.gz FZKIWYHNTDPBNZ-XNRPHZJLSA-N 2 2 357.462 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C)C1)C2 ZINC001082743043 1257022925 /nfs/dbraw/zinc/02/29/25/1257022925.db2.gz DQXPJOSALFTDQT-IVMMDQJWSA-N 2 2 357.462 0.519 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120019 1266087079 /nfs/dbraw/zinc/08/70/79/1266087079.db2.gz UAPJBNBPUUIPOC-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120019 1266087084 /nfs/dbraw/zinc/08/70/84/1266087084.db2.gz UAPJBNBPUUIPOC-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120019 1266087087 /nfs/dbraw/zinc/08/70/87/1266087087.db2.gz UAPJBNBPUUIPOC-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C[C@H]1C ZINC001521120019 1266087088 /nfs/dbraw/zinc/08/70/88/1266087088.db2.gz UAPJBNBPUUIPOC-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082838593 1257094174 /nfs/dbraw/zinc/09/41/74/1257094174.db2.gz DJLCMGZRRTUWGB-UKPHBRMFSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082837912 1257094323 /nfs/dbraw/zinc/09/43/23/1257094323.db2.gz LHTJFKHORQSTMG-XOKHGSTOSA-N 2 2 353.426 0.811 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082861311 1257112269 /nfs/dbraw/zinc/11/22/69/1257112269.db2.gz WNOFRWBXECXQDP-CXAGYDPISA-N 2 2 367.457 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082860745 1257112528 /nfs/dbraw/zinc/11/25/28/1257112528.db2.gz JXFGHBUGOLMGCW-MGPQQGTHSA-N 2 2 357.462 0.903 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001082863546 1257113961 /nfs/dbraw/zinc/11/39/61/1257113961.db2.gz IMFVJZOFBJFFIE-HZSPNIEDSA-N 2 2 363.462 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082947031 1257162203 /nfs/dbraw/zinc/16/22/03/1257162203.db2.gz AKBKEKYAVLKXAY-KYJSFNMBSA-N 2 2 359.474 0.353 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083746 1257284709 /nfs/dbraw/zinc/28/47/09/1257284709.db2.gz JQIGOUFYXLELJW-XYJFISCASA-N 2 2 360.458 0.736 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083746 1257284711 /nfs/dbraw/zinc/28/47/11/1257284711.db2.gz JQIGOUFYXLELJW-XYJFISCASA-N 2 2 360.458 0.736 20 0 FCADLP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]21)C1CCC1 ZINC001083106099 1257320003 /nfs/dbraw/zinc/32/00/03/1257320003.db2.gz KFATULYYNNQBNQ-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]21)C1CCC1 ZINC001083106099 1257320012 /nfs/dbraw/zinc/32/00/12/1257320012.db2.gz KFATULYYNNQBNQ-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]21)C1CCC1 ZINC001083106099 1257320021 /nfs/dbraw/zinc/32/00/21/1257320021.db2.gz KFATULYYNNQBNQ-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]21)C1CCC1 ZINC001083106099 1257320029 /nfs/dbraw/zinc/32/00/29/1257320029.db2.gz KFATULYYNNQBNQ-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286703 1266108099 /nfs/dbraw/zinc/10/80/99/1266108099.db2.gz NNUROIWQADXYAO-IEBWSBKVSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[N@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286703 1266108101 /nfs/dbraw/zinc/10/81/01/1266108101.db2.gz NNUROIWQADXYAO-IEBWSBKVSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286703 1266108104 /nfs/dbraw/zinc/10/81/04/1266108104.db2.gz NNUROIWQADXYAO-IEBWSBKVSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3C[N@H+]4CCN3C[C@H]4C)CC2)CC1 ZINC001521286703 1266108106 /nfs/dbraw/zinc/10/81/06/1266108106.db2.gz NNUROIWQADXYAO-IEBWSBKVSA-N 2 2 363.550 0.392 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c[nH+]1 ZINC001330876679 1266110280 /nfs/dbraw/zinc/11/02/80/1266110280.db2.gz NDLULTZDXKDAOK-HZPDHXFCSA-N 2 2 374.489 0.673 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139959 1257388570 /nfs/dbraw/zinc/38/85/70/1257388570.db2.gz DHRHVNKQQFVCQY-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139959 1257388577 /nfs/dbraw/zinc/38/85/77/1257388577.db2.gz DHRHVNKQQFVCQY-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083144194 1257400115 /nfs/dbraw/zinc/40/01/15/1257400115.db2.gz UDBZQCMRLNCFCP-IXDOHACOSA-N 2 2 362.474 0.918 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083144194 1257400121 /nfs/dbraw/zinc/40/01/21/1257400121.db2.gz UDBZQCMRLNCFCP-IXDOHACOSA-N 2 2 362.474 0.918 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cnn(C)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083176121 1257435918 /nfs/dbraw/zinc/43/59/18/1257435918.db2.gz CIUKHNYSEOBUHK-LEUOFYLZSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cnn(C)c4)C[C@@H]32)CC[N@H+]1C ZINC001083176121 1257435923 /nfs/dbraw/zinc/43/59/23/1257435923.db2.gz CIUKHNYSEOBUHK-LEUOFYLZSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083176121 1257435928 /nfs/dbraw/zinc/43/59/28/1257435928.db2.gz CIUKHNYSEOBUHK-LEUOFYLZSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083176121 1257435931 /nfs/dbraw/zinc/43/59/31/1257435931.db2.gz CIUKHNYSEOBUHK-LEUOFYLZSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083825897 1257577047 /nfs/dbraw/zinc/57/70/47/1257577047.db2.gz PMLDRSJAOJKDLA-CVEARBPZSA-N 2 2 360.462 0.144 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083825897 1257577051 /nfs/dbraw/zinc/57/70/51/1257577051.db2.gz PMLDRSJAOJKDLA-CVEARBPZSA-N 2 2 360.462 0.144 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083832968 1257586362 /nfs/dbraw/zinc/58/63/62/1257586362.db2.gz CLTQSPGSJDLBQY-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083832968 1257586366 /nfs/dbraw/zinc/58/63/66/1257586366.db2.gz CLTQSPGSJDLBQY-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001331030610 1266132688 /nfs/dbraw/zinc/13/26/88/1266132688.db2.gz MKMPZOAHVULJSO-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001331030610 1266132692 /nfs/dbraw/zinc/13/26/92/1266132692.db2.gz MKMPZOAHVULJSO-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001083961661 1257753380 /nfs/dbraw/zinc/75/33/80/1257753380.db2.gz DCTCGKPCFVUVDG-SNPRPXQTSA-N 2 2 370.400 0.347 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O ZINC001083961661 1257753387 /nfs/dbraw/zinc/75/33/87/1257753387.db2.gz DCTCGKPCFVUVDG-SNPRPXQTSA-N 2 2 370.400 0.347 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087883 1257911765 /nfs/dbraw/zinc/91/17/65/1257911765.db2.gz FLTPYZFTRNHCOL-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087883 1257911768 /nfs/dbraw/zinc/91/17/68/1257911768.db2.gz FLTPYZFTRNHCOL-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087883 1257911771 /nfs/dbraw/zinc/91/17/71/1257911771.db2.gz FLTPYZFTRNHCOL-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001084087883 1257911774 /nfs/dbraw/zinc/91/17/74/1257911774.db2.gz FLTPYZFTRNHCOL-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114725 1257934080 /nfs/dbraw/zinc/93/40/80/1257934080.db2.gz BHUKIUDFZPXXRK-KURKYZTESA-N 2 2 358.442 0.302 20 0 FCADLP CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114725 1257934086 /nfs/dbraw/zinc/93/40/86/1257934086.db2.gz BHUKIUDFZPXXRK-KURKYZTESA-N 2 2 358.442 0.302 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346334 1258039800 /nfs/dbraw/zinc/03/98/00/1258039800.db2.gz FXPGABGSFMZKJA-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346334 1258039807 /nfs/dbraw/zinc/03/98/07/1258039807.db2.gz FXPGABGSFMZKJA-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346334 1258039814 /nfs/dbraw/zinc/03/98/14/1258039814.db2.gz FXPGABGSFMZKJA-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346334 1258039820 /nfs/dbraw/zinc/03/98/20/1258039820.db2.gz FXPGABGSFMZKJA-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)[C@@H]3C2)n1 ZINC001084406057 1258083878 /nfs/dbraw/zinc/08/38/78/1258083878.db2.gz DXHXMLCIJYJNND-DJIMGWMZSA-N 2 2 359.474 0.858 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)[C@@H]3C2)n1 ZINC001084406057 1258083886 /nfs/dbraw/zinc/08/38/86/1258083886.db2.gz DXHXMLCIJYJNND-DJIMGWMZSA-N 2 2 359.474 0.858 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084465810 1258121009 /nfs/dbraw/zinc/12/10/09/1258121009.db2.gz VJKPZTLUQUMTBS-JFIYKMOQSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084465810 1258121012 /nfs/dbraw/zinc/12/10/12/1258121012.db2.gz VJKPZTLUQUMTBS-JFIYKMOQSA-N 2 2 354.458 0.875 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488251 1258132942 /nfs/dbraw/zinc/13/29/42/1258132942.db2.gz SCSAUMBFFNAQAQ-FRFSOERESA-N 2 2 355.442 0.957 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488251 1258132946 /nfs/dbraw/zinc/13/29/46/1258132946.db2.gz SCSAUMBFFNAQAQ-FRFSOERESA-N 2 2 355.442 0.957 20 0 FCADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084522188 1258149437 /nfs/dbraw/zinc/14/94/37/1258149437.db2.gz OSHWHTQODSFXPL-UHOFOFEASA-N 2 2 367.409 0.286 20 0 FCADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084522188 1258149440 /nfs/dbraw/zinc/14/94/40/1258149440.db2.gz OSHWHTQODSFXPL-UHOFOFEASA-N 2 2 367.409 0.286 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084539840 1258160973 /nfs/dbraw/zinc/16/09/73/1258160973.db2.gz HBQIPEPJKSIQJR-HZPDHXFCSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084539840 1258160978 /nfs/dbraw/zinc/16/09/78/1258160978.db2.gz HBQIPEPJKSIQJR-HZPDHXFCSA-N 2 2 359.474 0.508 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776368 1258319102 /nfs/dbraw/zinc/31/91/02/1258319102.db2.gz WSCSLACKGCPVAG-QLFBSQMISA-N 2 2 369.473 0.999 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776368 1258319111 /nfs/dbraw/zinc/31/91/11/1258319111.db2.gz WSCSLACKGCPVAG-QLFBSQMISA-N 2 2 369.473 0.999 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001084830440 1258374717 /nfs/dbraw/zinc/37/47/17/1258374717.db2.gz VROOVXFIDJEUAX-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001084830440 1258374726 /nfs/dbraw/zinc/37/47/26/1258374726.db2.gz VROOVXFIDJEUAX-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001084830440 1258374733 /nfs/dbraw/zinc/37/47/33/1258374733.db2.gz VROOVXFIDJEUAX-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCCCC4)C[C@H]32)C1 ZINC001084830440 1258374740 /nfs/dbraw/zinc/37/47/40/1258374740.db2.gz VROOVXFIDJEUAX-JFIYKMOQSA-N 2 2 362.518 0.920 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084831262 1258378010 /nfs/dbraw/zinc/37/80/10/1258378010.db2.gz FFGRLQURULQGAY-GDBMZVCRSA-N 2 2 370.457 0.151 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001084831262 1258378017 /nfs/dbraw/zinc/37/80/17/1258378017.db2.gz FFGRLQURULQGAY-GDBMZVCRSA-N 2 2 370.457 0.151 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853504 1258401315 /nfs/dbraw/zinc/40/13/15/1258401315.db2.gz VFJMDRHKBCWNTN-LMMKCTJWSA-N 2 2 362.518 0.872 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853504 1258401318 /nfs/dbraw/zinc/40/13/18/1258401318.db2.gz VFJMDRHKBCWNTN-LMMKCTJWSA-N 2 2 362.518 0.872 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911041 1258433613 /nfs/dbraw/zinc/43/36/13/1258433613.db2.gz LUFGQTFNKZOXQG-SQNIBIBYSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911041 1258433617 /nfs/dbraw/zinc/43/36/17/1258433617.db2.gz LUFGQTFNKZOXQG-SQNIBIBYSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911041 1258433620 /nfs/dbraw/zinc/43/36/20/1258433620.db2.gz LUFGQTFNKZOXQG-SQNIBIBYSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911041 1258433623 /nfs/dbraw/zinc/43/36/23/1258433623.db2.gz LUFGQTFNKZOXQG-SQNIBIBYSA-N 2 2 359.474 0.538 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nncn4C)[C@H]3C2)CC[N@@H+]1C ZINC001084944341 1258457942 /nfs/dbraw/zinc/45/79/42/1258457942.db2.gz IQQQEGUSOHXFMG-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nncn4C)[C@H]3C2)CC[N@H+]1C ZINC001084944341 1258457946 /nfs/dbraw/zinc/45/79/46/1258457946.db2.gz IQQQEGUSOHXFMG-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4nncn4C)[C@H]3C2)CC[NH+]1C ZINC001084944341 1258457948 /nfs/dbraw/zinc/45/79/48/1258457948.db2.gz IQQQEGUSOHXFMG-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4nncn4C)[C@H]3C2)CC[NH+]1C ZINC001084944341 1258457953 /nfs/dbraw/zinc/45/79/53/1258457953.db2.gz IQQQEGUSOHXFMG-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033395 1258536321 /nfs/dbraw/zinc/53/63/21/1258536321.db2.gz DSPGVSSDVJIHCT-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033395 1258536324 /nfs/dbraw/zinc/53/63/24/1258536324.db2.gz DSPGVSSDVJIHCT-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033395 1258536330 /nfs/dbraw/zinc/53/63/30/1258536330.db2.gz DSPGVSSDVJIHCT-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001085033395 1258536331 /nfs/dbraw/zinc/53/63/31/1258536331.db2.gz DSPGVSSDVJIHCT-WBVHZDCISA-N 2 2 360.506 0.970 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001085043622 1258541766 /nfs/dbraw/zinc/54/17/66/1258541766.db2.gz LCRNGIBCIWWWOU-OIISXLGYSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)[C@H]2C1 ZINC001085043622 1258541770 /nfs/dbraw/zinc/54/17/70/1258541770.db2.gz LCRNGIBCIWWWOU-OIISXLGYSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085044211 1258543044 /nfs/dbraw/zinc/54/30/44/1258543044.db2.gz GYHGTWQOKXIYKK-KBMXLJTQSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@H]2C1 ZINC001085044211 1258543047 /nfs/dbraw/zinc/54/30/47/1258543047.db2.gz GYHGTWQOKXIYKK-KBMXLJTQSA-N 2 2 355.446 0.654 20 0 FCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001085056765 1258551694 /nfs/dbraw/zinc/55/16/94/1258551694.db2.gz FELDTHGLVCXAOB-AEFFLSMTSA-N 2 2 361.490 0.565 20 0 FCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001085056765 1258551699 /nfs/dbraw/zinc/55/16/99/1258551699.db2.gz FELDTHGLVCXAOB-AEFFLSMTSA-N 2 2 361.490 0.565 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)n1 ZINC001085075625 1258570698 /nfs/dbraw/zinc/57/06/98/1258570698.db2.gz YIJMQDBVDRBBBK-PBHICJAKSA-N 2 2 370.457 0.884 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@@H]32)n1 ZINC001085075625 1258570705 /nfs/dbraw/zinc/57/07/05/1258570705.db2.gz YIJMQDBVDRBBBK-PBHICJAKSA-N 2 2 370.457 0.884 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001085094228 1258590410 /nfs/dbraw/zinc/59/04/10/1258590410.db2.gz JBAOOGFUBQACCI-INMHGKMJSA-N 2 2 363.462 0.461 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001085094228 1258590413 /nfs/dbraw/zinc/59/04/13/1258590413.db2.gz JBAOOGFUBQACCI-INMHGKMJSA-N 2 2 363.462 0.461 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)NC1CCCC1 ZINC001085105980 1258598811 /nfs/dbraw/zinc/59/88/11/1258598811.db2.gz XTFRSXNCXLZBED-WBVHZDCISA-N 2 2 359.474 0.865 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)NC1CCCC1 ZINC001085105980 1258598816 /nfs/dbraw/zinc/59/88/16/1258598816.db2.gz XTFRSXNCXLZBED-WBVHZDCISA-N 2 2 359.474 0.865 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001085106126 1258599388 /nfs/dbraw/zinc/59/93/88/1258599388.db2.gz RYORBTXFQFIYEX-IKGGRYGDSA-N 2 2 358.446 0.064 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001085106126 1258599394 /nfs/dbraw/zinc/59/93/94/1258599394.db2.gz RYORBTXFQFIYEX-IKGGRYGDSA-N 2 2 358.446 0.064 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001085158923 1258611135 /nfs/dbraw/zinc/61/11/35/1258611135.db2.gz BFNHDKQKOXNBKC-RBSFLKMASA-N 2 2 362.478 0.530 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001085158923 1258611142 /nfs/dbraw/zinc/61/11/42/1258611142.db2.gz BFNHDKQKOXNBKC-RBSFLKMASA-N 2 2 362.478 0.530 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]Cc3nnnn3C)ccn12 ZINC001085198330 1258627186 /nfs/dbraw/zinc/62/71/86/1258627186.db2.gz OBDVIGNXEQFOBH-HUUCEWRRSA-N 2 2 368.445 0.997 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088151548 1258662232 /nfs/dbraw/zinc/66/22/32/1258662232.db2.gz JXNQXDPYUGBPOP-OAGGEKHMSA-N 2 2 359.474 0.649 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088151548 1258662241 /nfs/dbraw/zinc/66/22/41/1258662241.db2.gz JXNQXDPYUGBPOP-OAGGEKHMSA-N 2 2 359.474 0.649 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)n1 ZINC001088170920 1258689119 /nfs/dbraw/zinc/68/91/19/1258689119.db2.gz NXLYCLAWQXFWDM-SJORKVTESA-N 2 2 371.489 0.651 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)n1 ZINC001088170920 1258689128 /nfs/dbraw/zinc/68/91/28/1258689128.db2.gz NXLYCLAWQXFWDM-SJORKVTESA-N 2 2 371.489 0.651 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183479 1258704091 /nfs/dbraw/zinc/70/40/91/1258704091.db2.gz IMXCKYDSRBLRBP-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183479 1258704096 /nfs/dbraw/zinc/70/40/96/1258704096.db2.gz IMXCKYDSRBLRBP-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088183580 1258705209 /nfs/dbraw/zinc/70/52/09/1258705209.db2.gz MWWHAHRTGVFXFD-ZNMIVQPWSA-N 2 2 359.474 0.708 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)CC[C@@H]2C1 ZINC001088183580 1258705214 /nfs/dbraw/zinc/70/52/14/1258705214.db2.gz MWWHAHRTGVFXFD-ZNMIVQPWSA-N 2 2 359.474 0.708 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088187206 1258707830 /nfs/dbraw/zinc/70/78/30/1258707830.db2.gz MAFHQVDBRXLIJC-CVEARBPZSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088187206 1258707832 /nfs/dbraw/zinc/70/78/32/1258707832.db2.gz MAFHQVDBRXLIJC-CVEARBPZSA-N 2 2 359.474 0.365 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088200140 1258722671 /nfs/dbraw/zinc/72/26/71/1258722671.db2.gz QSGJTCCCHDFRTH-PMPSAXMXSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088200140 1258722679 /nfs/dbraw/zinc/72/26/79/1258722679.db2.gz QSGJTCCCHDFRTH-PMPSAXMXSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088200140 1258722685 /nfs/dbraw/zinc/72/26/85/1258722685.db2.gz QSGJTCCCHDFRTH-PMPSAXMXSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088200140 1258722688 /nfs/dbraw/zinc/72/26/88/1258722688.db2.gz QSGJTCCCHDFRTH-PMPSAXMXSA-N 2 2 361.494 0.315 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088201908 1258723935 /nfs/dbraw/zinc/72/39/35/1258723935.db2.gz ARQZXENZJBVBRE-OAGGEKHMSA-N 2 2 363.462 0.318 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088201908 1258723940 /nfs/dbraw/zinc/72/39/40/1258723940.db2.gz ARQZXENZJBVBRE-OAGGEKHMSA-N 2 2 363.462 0.318 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211520 1258735099 /nfs/dbraw/zinc/73/50/99/1258735099.db2.gz OFRMJSRYNCBZNM-CVEARBPZSA-N 2 2 361.494 0.366 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211520 1258735105 /nfs/dbraw/zinc/73/51/05/1258735105.db2.gz OFRMJSRYNCBZNM-CVEARBPZSA-N 2 2 361.494 0.366 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091152676 1258792117 /nfs/dbraw/zinc/79/21/17/1258792117.db2.gz BUKSINYSUNBAAH-XHSDSOJGSA-N 2 2 367.469 0.693 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091153948 1258793548 /nfs/dbraw/zinc/79/35/48/1258793548.db2.gz UEUPOGDQWDVTRP-ZNMIVQPWSA-N 2 2 367.469 0.693 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782364 1258843724 /nfs/dbraw/zinc/84/37/24/1258843724.db2.gz LPXBSNDTXPKDBY-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782364 1258843733 /nfs/dbraw/zinc/84/37/33/1258843733.db2.gz LPXBSNDTXPKDBY-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092847542 1258868945 /nfs/dbraw/zinc/86/89/45/1258868945.db2.gz STYVYZUUAWGORZ-SNPRPXQTSA-N 2 2 357.462 0.929 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092847542 1258868952 /nfs/dbraw/zinc/86/89/52/1258868952.db2.gz STYVYZUUAWGORZ-SNPRPXQTSA-N 2 2 357.462 0.929 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001098285816 1258900561 /nfs/dbraw/zinc/90/05/61/1258900561.db2.gz PANDHTXKISUZKJ-OIISXLGYSA-N 2 2 359.474 0.995 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001098285816 1258900566 /nfs/dbraw/zinc/90/05/66/1258900566.db2.gz PANDHTXKISUZKJ-OIISXLGYSA-N 2 2 359.474 0.995 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106655648 1258933448 /nfs/dbraw/zinc/93/34/48/1258933448.db2.gz XJHKCJJYNZYDNZ-RBSFLKMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001106704948 1258943246 /nfs/dbraw/zinc/94/32/46/1258943246.db2.gz KMMMSNUBPGBTPB-ZIAGYGMSSA-N 2 2 371.441 0.981 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710368 1258944660 /nfs/dbraw/zinc/94/46/60/1258944660.db2.gz HYJICIBWAGVPOD-BZUAXINKSA-N 2 2 362.478 0.544 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106830815 1258972833 /nfs/dbraw/zinc/97/28/33/1258972833.db2.gz XQOAXOXUQIFEAZ-HUUCEWRRSA-N 2 2 370.457 0.653 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC(C)(C)C ZINC001106876848 1258985574 /nfs/dbraw/zinc/98/55/74/1258985574.db2.gz ADMBODCVVBZUBX-QLFBSQMISA-N 2 2 363.506 0.950 20 0 FCADLP CCN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C1CC1 ZINC001106877263 1258986022 /nfs/dbraw/zinc/98/60/22/1258986022.db2.gz UUNXUXULDBHGJY-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877197 1258986184 /nfs/dbraw/zinc/98/61/84/1258986184.db2.gz RKTKTQHGARUVNQ-HUUCEWRRSA-N 2 2 364.494 0.354 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CCN2C(=O)CCC2=O)[C@H](C)C1 ZINC001106922557 1258996434 /nfs/dbraw/zinc/99/64/34/1258996434.db2.gz HPSGCGJROJHRCM-TZMCWYRMSA-N 2 2 361.446 0.094 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106937054 1259000301 /nfs/dbraw/zinc/00/03/01/1259000301.db2.gz FVRSIEUKUPODCW-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001107076400 1259028315 /nfs/dbraw/zinc/02/83/15/1259028315.db2.gz UMCJQHLJVRZKGL-KFWWJZLASA-N 2 2 361.446 0.153 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001331517946 1266233265 /nfs/dbraw/zinc/23/32/65/1266233265.db2.gz SSTRADVBGJCHNF-QGZVFWFLSA-N 2 2 354.410 0.836 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107457810 1259095295 /nfs/dbraw/zinc/09/52/95/1259095295.db2.gz QJQUPGNDNOCVJA-RDTXWAMCSA-N 2 2 363.510 0.801 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107457810 1259095299 /nfs/dbraw/zinc/09/52/99/1259095299.db2.gz QJQUPGNDNOCVJA-RDTXWAMCSA-N 2 2 363.510 0.801 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107457810 1259095304 /nfs/dbraw/zinc/09/53/04/1259095304.db2.gz QJQUPGNDNOCVJA-RDTXWAMCSA-N 2 2 363.510 0.801 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107457810 1259095307 /nfs/dbraw/zinc/09/53/07/1259095307.db2.gz QJQUPGNDNOCVJA-RDTXWAMCSA-N 2 2 363.510 0.801 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001107472988 1259099605 /nfs/dbraw/zinc/09/96/05/1259099605.db2.gz VHHTVHGMIWDQIL-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001107472988 1259099611 /nfs/dbraw/zinc/09/96/11/1259099611.db2.gz VHHTVHGMIWDQIL-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481033 1259100245 /nfs/dbraw/zinc/10/02/45/1259100245.db2.gz CIWKOAWMGUCIOA-DNVCBOLYSA-N 2 2 361.490 0.850 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481033 1259100252 /nfs/dbraw/zinc/10/02/52/1259100252.db2.gz CIWKOAWMGUCIOA-DNVCBOLYSA-N 2 2 361.490 0.850 20 0 FCADLP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2)c1cccnc1 ZINC001107647835 1259142162 /nfs/dbraw/zinc/14/21/62/1259142162.db2.gz VVJBAOTVCQBUNS-HHXXYDBFSA-N 2 2 359.474 0.530 20 0 FCADLP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2)c1cccnc1 ZINC001107647835 1259142167 /nfs/dbraw/zinc/14/21/67/1259142167.db2.gz VVJBAOTVCQBUNS-HHXXYDBFSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCC3CC3)CCO2)O1 ZINC001108023509 1259150829 /nfs/dbraw/zinc/15/08/29/1259150829.db2.gz CSLNCKVCYCVRDS-SZVBFZGTSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCC3CC3)CCO2)O1 ZINC001108023509 1259150833 /nfs/dbraw/zinc/15/08/33/1259150833.db2.gz CSLNCKVCYCVRDS-SZVBFZGTSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@H+](CCOCC3CC3)CCO2)O1 ZINC001108023509 1259150835 /nfs/dbraw/zinc/15/08/35/1259150835.db2.gz CSLNCKVCYCVRDS-SZVBFZGTSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCOCC3CC3)CCO2)O1 ZINC001108023509 1259150837 /nfs/dbraw/zinc/15/08/37/1259150837.db2.gz CSLNCKVCYCVRDS-SZVBFZGTSA-N 2 2 369.506 0.339 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527852 1259163319 /nfs/dbraw/zinc/16/33/19/1259163319.db2.gz ZRVGZMUSHJISIY-KSMMKXTCSA-N 2 2 359.474 0.794 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112542988 1259165316 /nfs/dbraw/zinc/16/53/16/1259165316.db2.gz CYERDQTUAJLSBG-DOXZYTNZSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112542988 1259165317 /nfs/dbraw/zinc/16/53/17/1259165317.db2.gz CYERDQTUAJLSBG-DOXZYTNZSA-N 2 2 361.490 0.895 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829872 1259243565 /nfs/dbraw/zinc/24/35/65/1259243565.db2.gz JRJRMPWDOAQOOG-IKGGRYGDSA-N 2 2 362.478 0.140 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829872 1259243568 /nfs/dbraw/zinc/24/35/68/1259243568.db2.gz JRJRMPWDOAQOOG-IKGGRYGDSA-N 2 2 362.478 0.140 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829872 1259243575 /nfs/dbraw/zinc/24/35/75/1259243575.db2.gz JRJRMPWDOAQOOG-IKGGRYGDSA-N 2 2 362.478 0.140 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829872 1259243579 /nfs/dbraw/zinc/24/35/79/1259243579.db2.gz JRJRMPWDOAQOOG-IKGGRYGDSA-N 2 2 362.478 0.140 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043802 1259297395 /nfs/dbraw/zinc/29/73/95/1259297395.db2.gz YYDWENKIMBFEBV-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043802 1259297402 /nfs/dbraw/zinc/29/74/02/1259297402.db2.gz YYDWENKIMBFEBV-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043802 1259297409 /nfs/dbraw/zinc/29/74/09/1259297409.db2.gz YYDWENKIMBFEBV-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043802 1259297417 /nfs/dbraw/zinc/29/74/17/1259297417.db2.gz YYDWENKIMBFEBV-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064443 1259303851 /nfs/dbraw/zinc/30/38/51/1259303851.db2.gz FRPZGJMNUUGNQX-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064443 1259303854 /nfs/dbraw/zinc/30/38/54/1259303854.db2.gz FRPZGJMNUUGNQX-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC1 ZINC001129219203 1259347462 /nfs/dbraw/zinc/34/74/62/1259347462.db2.gz AQCZKAKBZSWLGR-SJORKVTESA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC1 ZINC001129219203 1259347471 /nfs/dbraw/zinc/34/74/71/1259347471.db2.gz AQCZKAKBZSWLGR-SJORKVTESA-N 2 2 369.473 0.557 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001154680001 1259383239 /nfs/dbraw/zinc/38/32/39/1259383239.db2.gz UQYRWHOHHZPNAL-GOSISDBHSA-N 2 2 369.469 0.693 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC001180405299 1259395237 /nfs/dbraw/zinc/39/52/37/1259395237.db2.gz AWRKHIYYLLFFAO-DLBZAZTESA-N 2 2 356.426 0.921 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC001180405299 1259395243 /nfs/dbraw/zinc/39/52/43/1259395243.db2.gz AWRKHIYYLLFFAO-DLBZAZTESA-N 2 2 356.426 0.921 20 0 FCADLP C[NH+]1CCN(c2ccncc2C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001199356124 1259413655 /nfs/dbraw/zinc/41/36/55/1259413655.db2.gz CLICAEGYAAANQK-QGZVFWFLSA-N 2 2 373.501 0.770 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707507 1259427943 /nfs/dbraw/zinc/42/79/43/1259427943.db2.gz WTOQOMXSTJKBRH-JCGIZDLHSA-N 2 2 369.469 0.681 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001212297848 1259456126 /nfs/dbraw/zinc/45/61/26/1259456126.db2.gz MUXWOFMCPXAISV-MWQQHZPXSA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001212297848 1259456134 /nfs/dbraw/zinc/45/61/34/1259456134.db2.gz MUXWOFMCPXAISV-MWQQHZPXSA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001212297848 1259456139 /nfs/dbraw/zinc/45/61/39/1259456139.db2.gz MUXWOFMCPXAISV-MWQQHZPXSA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001212297848 1259456142 /nfs/dbraw/zinc/45/61/42/1259456142.db2.gz MUXWOFMCPXAISV-MWQQHZPXSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403359 1259490783 /nfs/dbraw/zinc/49/07/83/1259490783.db2.gz JFYBMERNGVZCKY-HZPDHXFCSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403359 1259490788 /nfs/dbraw/zinc/49/07/88/1259490788.db2.gz JFYBMERNGVZCKY-HZPDHXFCSA-N 2 2 366.506 0.155 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)cn1 ZINC001212403829 1259491315 /nfs/dbraw/zinc/49/13/15/1259491315.db2.gz WZEVWYXDZDVFDJ-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)cn1 ZINC001212403829 1259491319 /nfs/dbraw/zinc/49/13/19/1259491319.db2.gz WZEVWYXDZDVFDJ-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212405948 1259491730 /nfs/dbraw/zinc/49/17/30/1259491730.db2.gz FZNGANPBCAORLX-OWCLPIDISA-N 2 2 366.462 0.239 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001212405948 1259491734 /nfs/dbraw/zinc/49/17/34/1259491734.db2.gz FZNGANPBCAORLX-OWCLPIDISA-N 2 2 366.462 0.239 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406259 1259492063 /nfs/dbraw/zinc/49/20/63/1259492063.db2.gz MXKRTRWHRXNWGH-IXDOHACOSA-N 2 2 367.494 0.055 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406259 1259492071 /nfs/dbraw/zinc/49/20/71/1259492071.db2.gz MXKRTRWHRXNWGH-IXDOHACOSA-N 2 2 367.494 0.055 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430540 1259502702 /nfs/dbraw/zinc/50/27/02/1259502702.db2.gz QIQJZTJBUYZJJT-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430540 1259502706 /nfs/dbraw/zinc/50/27/06/1259502706.db2.gz QIQJZTJBUYZJJT-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212430540 1259502709 /nfs/dbraw/zinc/50/27/09/1259502709.db2.gz QIQJZTJBUYZJJT-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212430540 1259502714 /nfs/dbraw/zinc/50/27/14/1259502714.db2.gz QIQJZTJBUYZJJT-RCCFBDPRSA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001212463107 1259516859 /nfs/dbraw/zinc/51/68/59/1259516859.db2.gz RLYKHFYCKSKYPS-RBSFLKMASA-N 2 2 371.526 0.240 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](C)C ZINC001212463107 1259516863 /nfs/dbraw/zinc/51/68/63/1259516863.db2.gz RLYKHFYCKSKYPS-RBSFLKMASA-N 2 2 371.526 0.240 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495578 1259524870 /nfs/dbraw/zinc/52/48/70/1259524870.db2.gz KEDVHDUMHIIISR-BZUAXINKSA-N 2 2 368.522 0.719 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495578 1259524876 /nfs/dbraw/zinc/52/48/76/1259524876.db2.gz KEDVHDUMHIIISR-BZUAXINKSA-N 2 2 368.522 0.719 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495578 1259524880 /nfs/dbraw/zinc/52/48/80/1259524880.db2.gz KEDVHDUMHIIISR-BZUAXINKSA-N 2 2 368.522 0.719 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495578 1259524883 /nfs/dbraw/zinc/52/48/83/1259524883.db2.gz KEDVHDUMHIIISR-BZUAXINKSA-N 2 2 368.522 0.719 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495348 1259525645 /nfs/dbraw/zinc/52/56/45/1259525645.db2.gz COGYITDCWIVCAE-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495348 1259525649 /nfs/dbraw/zinc/52/56/49/1259525649.db2.gz COGYITDCWIVCAE-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495348 1259525652 /nfs/dbraw/zinc/52/56/52/1259525652.db2.gz COGYITDCWIVCAE-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495348 1259525655 /nfs/dbraw/zinc/52/56/55/1259525655.db2.gz COGYITDCWIVCAE-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001227867452 1259541098 /nfs/dbraw/zinc/54/10/98/1259541098.db2.gz GNSMMOOUZUVRQU-BZUAXINKSA-N 2 2 366.462 0.118 20 0 FCADLP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001227867452 1259541104 /nfs/dbraw/zinc/54/11/04/1259541104.db2.gz GNSMMOOUZUVRQU-BZUAXINKSA-N 2 2 366.462 0.118 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc4nccn43)CC[C@@H]2C1 ZINC001233362365 1259549471 /nfs/dbraw/zinc/54/94/71/1259549471.db2.gz ZJTOKTGOCHTTFM-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc4nccn43)CC[C@@H]2C1 ZINC001233362365 1259549482 /nfs/dbraw/zinc/54/94/82/1259549482.db2.gz ZJTOKTGOCHTTFM-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc4nccn43)CC[C@@H]2C1 ZINC001233362365 1259549488 /nfs/dbraw/zinc/54/94/88/1259549488.db2.gz ZJTOKTGOCHTTFM-SJLPKXTDSA-N 2 2 371.485 0.945 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001235518869 1259573509 /nfs/dbraw/zinc/57/35/09/1259573509.db2.gz LVGIJMQHGUVENR-TZIWHRDSSA-N 2 2 374.529 0.717 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001235518869 1259573513 /nfs/dbraw/zinc/57/35/13/1259573513.db2.gz LVGIJMQHGUVENR-TZIWHRDSSA-N 2 2 374.529 0.717 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236312658 1259589478 /nfs/dbraw/zinc/58/94/78/1259589478.db2.gz YWZMIBUMNRJXJB-UHFFFAOYSA-N 4 2 372.517 0.360 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236312658 1259589483 /nfs/dbraw/zinc/58/94/83/1259589483.db2.gz YWZMIBUMNRJXJB-UHFFFAOYSA-N 4 2 372.517 0.360 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3c[nH]ccc3=O)CC2)C1 ZINC001237835611 1259608848 /nfs/dbraw/zinc/60/88/48/1259608848.db2.gz BRBCAPVJPAHXOM-UHFFFAOYSA-N 2 2 362.474 0.378 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3c[nH]ccc3=O)CC2)C1 ZINC001237835611 1259608858 /nfs/dbraw/zinc/60/88/58/1259608858.db2.gz BRBCAPVJPAHXOM-UHFFFAOYSA-N 2 2 362.474 0.378 20 0 FCADLP Cc1c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cnn1-c1cc[nH+]cc1 ZINC001335364425 1259625686 /nfs/dbraw/zinc/62/56/86/1259625686.db2.gz QPDSWLRMGWHSJD-MRXNPFEDSA-N 2 2 368.441 0.612 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001335397375 1259644182 /nfs/dbraw/zinc/64/41/82/1259644182.db2.gz GHRAGCRDKCFJBU-KYJSFNMBSA-N 2 2 365.474 0.437 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001335397375 1259644193 /nfs/dbraw/zinc/64/41/93/1259644193.db2.gz GHRAGCRDKCFJBU-KYJSFNMBSA-N 2 2 365.474 0.437 20 0 FCADLP O[C@@H](C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12)CC1(O)CC[NH2+]CC1 ZINC001246062133 1259645718 /nfs/dbraw/zinc/64/57/18/1259645718.db2.gz BXMZKLLSYLTIDL-GOSISDBHSA-N 3 2 359.514 0.989 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ncccn2)[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246701963 1259664029 /nfs/dbraw/zinc/66/40/29/1259664029.db2.gz GJJRIYUJFYDXCO-ZNMIVQPWSA-N 2 2 361.446 0.098 20 0 FCADLP Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707639 1259667179 /nfs/dbraw/zinc/66/71/79/1259667179.db2.gz ZUOGIJFPJFEKRY-DLBZAZTESA-N 2 2 370.505 0.317 20 0 FCADLP Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707639 1259667190 /nfs/dbraw/zinc/66/71/90/1259667190.db2.gz ZUOGIJFPJFEKRY-DLBZAZTESA-N 2 2 370.505 0.317 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC001335486914 1259680851 /nfs/dbraw/zinc/68/08/51/1259680851.db2.gz PVIITNSDTXDTHI-IYBDPMFKSA-N 2 2 350.507 0.729 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC001335486914 1259680854 /nfs/dbraw/zinc/68/08/54/1259680854.db2.gz PVIITNSDTXDTHI-IYBDPMFKSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@H]1C[C@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC[NH2+]1 ZINC001246782037 1259689143 /nfs/dbraw/zinc/68/91/43/1259689143.db2.gz SVNVTUQNBJPVKE-GOEBONIOSA-N 2 2 371.489 0.545 20 0 FCADLP O=C(c1cn([C@@H]2CC[NH2+]C3(CNC3)C2)c2ccccc12)N1CC[NH2+]CC1 ZINC001246800368 1259689638 /nfs/dbraw/zinc/68/96/38/1259689638.db2.gz DHUKRXOXSOANMR-OAHLLOKOSA-N 2 2 353.470 0.953 20 0 FCADLP COC(=O)c1ccc(C[C@@H](C)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246925799 1259695749 /nfs/dbraw/zinc/69/57/49/1259695749.db2.gz POHNZNFDDHEWTK-OAHLLOKOSA-N 3 2 364.490 0.520 20 0 FCADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001246925799 1259695755 /nfs/dbraw/zinc/69/57/55/1259695755.db2.gz POHNZNFDDHEWTK-OAHLLOKOSA-N 3 2 364.490 0.520 20 0 FCADLP COc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c(C)c1 ZINC001247332035 1259700505 /nfs/dbraw/zinc/70/05/05/1259700505.db2.gz IFJCRWDUIFSAME-AWEZNQCLSA-N 2 2 356.386 0.963 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001247335486 1259701494 /nfs/dbraw/zinc/70/14/94/1259701494.db2.gz QODFOZGGLBDLRH-AWEZNQCLSA-N 2 2 367.413 0.920 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@H](O)C[NH+]1CCOCC1)[C@H]2C ZINC001251014781 1259728515 /nfs/dbraw/zinc/72/85/15/1259728515.db2.gz CJCSCAJBPDQUNU-FUHWJXTLSA-N 2 2 365.522 0.793 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@H](O)C[NH+]1CCOCC1)[C@H]2C ZINC001251014781 1259728519 /nfs/dbraw/zinc/72/85/19/1259728519.db2.gz CJCSCAJBPDQUNU-FUHWJXTLSA-N 2 2 365.522 0.793 20 0 FCADLP C[NH+]1CCN(c2ccc(NC[C@H](O)C[NH+]3CCOCC3)cc2CO)CC1 ZINC001251028214 1259734531 /nfs/dbraw/zinc/73/45/31/1259734531.db2.gz YZJKDVIULHCGSD-SFHVURJKSA-N 2 2 364.490 0.036 20 0 FCADLP C[NH+]1CCN(C2C[NH+](C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001251308133 1259743839 /nfs/dbraw/zinc/74/38/39/1259743839.db2.gz ITQSWSIFZHLJME-LJQANCHMSA-N 2 2 368.522 0.680 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCc3nnc(N4CCCC4)cc3C2)CC1 ZINC001335623507 1259748788 /nfs/dbraw/zinc/74/87/88/1259748788.db2.gz PHXPYUCMXBRVNT-UHFFFAOYSA-N 2 2 373.505 0.568 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC001335646166 1259761809 /nfs/dbraw/zinc/76/18/09/1259761809.db2.gz MNOXTOCTFBWYKD-LJQANCHMSA-N 3 2 359.518 0.978 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C[C@H]1Cc1ccccc1 ZINC001335646166 1259761815 /nfs/dbraw/zinc/76/18/15/1259761815.db2.gz MNOXTOCTFBWYKD-LJQANCHMSA-N 3 2 359.518 0.978 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926513 1259814274 /nfs/dbraw/zinc/81/42/74/1259814274.db2.gz RNEUSIUTYDNGCJ-ANTGDGSKSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926513 1259814281 /nfs/dbraw/zinc/81/42/81/1259814281.db2.gz RNEUSIUTYDNGCJ-ANTGDGSKSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC001252926513 1259814287 /nfs/dbraw/zinc/81/42/87/1259814287.db2.gz RNEUSIUTYDNGCJ-ANTGDGSKSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001252926513 1259814291 /nfs/dbraw/zinc/81/42/91/1259814291.db2.gz RNEUSIUTYDNGCJ-ANTGDGSKSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335791164 1259841420 /nfs/dbraw/zinc/84/14/20/1259841420.db2.gz SGFUYHUVUNSKPG-HIFRSBDPSA-N 2 2 362.478 0.173 20 0 FCADLP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335791164 1259841429 /nfs/dbraw/zinc/84/14/29/1259841429.db2.gz SGFUYHUVUNSKPG-HIFRSBDPSA-N 2 2 362.478 0.173 20 0 FCADLP O=C([C@H]1C[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001254857666 1259898546 /nfs/dbraw/zinc/89/85/46/1259898546.db2.gz RCWHCQWWEVOHMO-YDZRNGNQSA-N 2 2 363.502 0.666 20 0 FCADLP O=C([C@H]1C[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@H]2OCC[C@H]21)N1CCOCC1 ZINC001254857666 1259898553 /nfs/dbraw/zinc/89/85/53/1259898553.db2.gz RCWHCQWWEVOHMO-YDZRNGNQSA-N 2 2 363.502 0.666 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@H]2CCC[N@H+](C)C2)CC3)cn1 ZINC001255484567 1259915256 /nfs/dbraw/zinc/91/52/56/1259915256.db2.gz ACWPMMAINMJWFQ-INIZCTEOSA-N 2 2 371.489 0.499 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@H]2CCC[N@@H+](C)C2)CC3)cn1 ZINC001255484567 1259915259 /nfs/dbraw/zinc/91/52/59/1259915259.db2.gz ACWPMMAINMJWFQ-INIZCTEOSA-N 2 2 371.489 0.499 20 0 FCADLP CC1(C)C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCO1 ZINC001255537261 1259920437 /nfs/dbraw/zinc/92/04/37/1259920437.db2.gz OIQVVLPDGKUTQI-SNPRPXQTSA-N 2 2 363.462 0.359 20 0 FCADLP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001255954973 1259929002 /nfs/dbraw/zinc/92/90/02/1259929002.db2.gz LVYOECNHMHIJFM-PBHICJAKSA-N 2 2 364.490 0.615 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccc(F)cn3)CC2)CC1 ZINC001255999580 1259929330 /nfs/dbraw/zinc/92/93/30/1259929330.db2.gz VTNVCFYQVZFUQP-UHFFFAOYSA-N 2 2 363.437 0.834 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001256892945 1259978903 /nfs/dbraw/zinc/97/89/03/1259978903.db2.gz YSYBQQBEJNYWDR-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001256892945 1259978911 /nfs/dbraw/zinc/97/89/11/1259978911.db2.gz YSYBQQBEJNYWDR-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)CC[N@H+](C)C1 ZINC001261365407 1260126758 /nfs/dbraw/zinc/12/67/58/1260126758.db2.gz NYBQNFLONWRWPM-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)CC[N@@H+](C)C1 ZINC001261365407 1260126759 /nfs/dbraw/zinc/12/67/59/1260126759.db2.gz NYBQNFLONWRWPM-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365407 1260126761 /nfs/dbraw/zinc/12/67/61/1260126761.db2.gz NYBQNFLONWRWPM-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365407 1260126763 /nfs/dbraw/zinc/12/67/63/1260126763.db2.gz NYBQNFLONWRWPM-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261524192 1260154551 /nfs/dbraw/zinc/15/45/51/1260154551.db2.gz SAUHRFKZYQLOOI-QXSJWSMHSA-N 2 2 363.462 0.133 20 0 FCADLP O=C(N1CCC(c2nnc3n2CC[NH2+]C3)CC1)C12CCC[NH+](CCC1)C2 ZINC001336720432 1260207584 /nfs/dbraw/zinc/20/75/84/1260207584.db2.gz FEIKJDRMWGSMAN-UHFFFAOYSA-N 2 2 358.490 0.963 20 0 FCADLP CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC001262063664 1260254215 /nfs/dbraw/zinc/25/42/15/1260254215.db2.gz FTEYGVCGTJDXAL-CQSZACIVSA-N 2 2 359.405 0.838 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH+]2CCC(CO)CC2)c1 ZINC001337087965 1260306867 /nfs/dbraw/zinc/30/68/67/1260306867.db2.gz PNPRNTCGBQTKJA-SFHVURJKSA-N 2 2 374.485 0.779 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH+]2CCC(CO)CC2)c1 ZINC001337087965 1260306874 /nfs/dbraw/zinc/30/68/74/1260306874.db2.gz PNPRNTCGBQTKJA-SFHVURJKSA-N 2 2 374.485 0.779 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001263944035 1260358279 /nfs/dbraw/zinc/35/82/79/1260358279.db2.gz NLMGCBQBAGQECX-BHYGNILZSA-N 2 2 360.462 0.362 20 0 FCADLP Cc1nnc([C@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001265259071 1260409539 /nfs/dbraw/zinc/40/95/39/1260409539.db2.gz XMXDQWUCQVEKTF-IJEWVQPXSA-N 2 2 364.494 0.513 20 0 FCADLP Cc1nnc([C@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001265259071 1260409544 /nfs/dbraw/zinc/40/95/44/1260409544.db2.gz XMXDQWUCQVEKTF-IJEWVQPXSA-N 2 2 364.494 0.513 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001271682478 1260446804 /nfs/dbraw/zinc/44/68/04/1260446804.db2.gz DXAUXPJWAUWYLF-ULQDDVLXSA-N 2 2 357.458 0.569 20 0 FCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCc5[nH+]ccn5C4)CC3)[C@@H]2C1 ZINC001272619543 1260462859 /nfs/dbraw/zinc/46/28/59/1260462859.db2.gz ZEDGRMSJJQJFHC-RRFJBIMHSA-N 2 2 357.458 0.114 20 0 FCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCc5[nH+]ccn5C4)CC3)[C@@H]2C1 ZINC001272619543 1260462860 /nfs/dbraw/zinc/46/28/60/1260462860.db2.gz ZEDGRMSJJQJFHC-RRFJBIMHSA-N 2 2 357.458 0.114 20 0 FCADLP CC[NH+](CC)CCC(=O)N1CC2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272643210 1260471134 /nfs/dbraw/zinc/47/11/34/1260471134.db2.gz YOBROYBVVPWJPQ-UHFFFAOYSA-N 2 2 363.462 0.092 20 0 FCADLP COCCOC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868378 1260520709 /nfs/dbraw/zinc/52/07/09/1260520709.db2.gz RFZFBPVEZDWANZ-IBGZPJMESA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868378 1260520714 /nfs/dbraw/zinc/52/07/14/1260520714.db2.gz RFZFBPVEZDWANZ-IBGZPJMESA-N 2 2 368.522 0.169 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2[C@H]3CC[C@@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)CC1 ZINC001272970005 1260540618 /nfs/dbraw/zinc/54/06/18/1260540618.db2.gz DMIZTVYHESOVBT-ZSBFGKGUSA-N 2 2 359.474 0.647 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](C[C@@H]3CCN3C(=O)OC(C)(C)C)C[C@H](C1)O2 ZINC001278182341 1260685536 /nfs/dbraw/zinc/68/55/36/1260685536.db2.gz AIGPKGRNMCQFHW-YESZJQIVSA-N 2 2 368.522 0.942 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2C[N@H+](C[C@@H]3CCN3C(=O)OC(C)(C)C)C[C@H](C1)O2 ZINC001278182341 1260685539 /nfs/dbraw/zinc/68/55/39/1260685539.db2.gz AIGPKGRNMCQFHW-YESZJQIVSA-N 2 2 368.522 0.942 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCOCC1 ZINC001279246759 1260810970 /nfs/dbraw/zinc/81/09/70/1260810970.db2.gz NPXGCZJAQKVPSC-CEXWTWQISA-N 2 2 362.518 0.478 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCOCC1 ZINC001279246759 1260810971 /nfs/dbraw/zinc/81/09/71/1260810971.db2.gz NPXGCZJAQKVPSC-CEXWTWQISA-N 2 2 362.518 0.478 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2c[nH+]ccc2N)C[C@@]2(CCCC(=O)N2)C1 ZINC001279617154 1260900022 /nfs/dbraw/zinc/90/00/22/1260900022.db2.gz RFIVAMNBODGPNR-LJQANCHMSA-N 3 2 360.506 0.212 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2c[nH+]ccc2N)C[C@@]2(CCCC(=O)N2)C1 ZINC001279617154 1260900026 /nfs/dbraw/zinc/90/00/26/1260900026.db2.gz RFIVAMNBODGPNR-LJQANCHMSA-N 3 2 360.506 0.212 20 0 FCADLP COCC[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279720979 1260921102 /nfs/dbraw/zinc/92/11/02/1260921102.db2.gz NBESODVDLZFKOC-HZMVEIRTSA-N 2 2 365.478 0.243 20 0 FCADLP COCC[N@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001279720979 1260921106 /nfs/dbraw/zinc/92/11/06/1260921106.db2.gz NBESODVDLZFKOC-HZMVEIRTSA-N 2 2 365.478 0.243 20 0 FCADLP COCC[NH+]1CCC([NH+]2CCC(C(=O)NCCn3ccnn3)CC2)CC1 ZINC001279720681 1260921586 /nfs/dbraw/zinc/92/15/86/1260921586.db2.gz GXEUKVZXKDWFJF-UHFFFAOYSA-N 2 2 364.494 0.217 20 0 FCADLP Cn1nncc1C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280062311 1260987532 /nfs/dbraw/zinc/98/75/32/1260987532.db2.gz UJTQKXXDLSBCSN-QGZVFWFLSA-N 2 2 358.490 0.724 20 0 FCADLP Cn1nncc1C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280062311 1260987536 /nfs/dbraw/zinc/98/75/36/1260987536.db2.gz UJTQKXXDLSBCSN-QGZVFWFLSA-N 2 2 358.490 0.724 20 0 FCADLP C[NH+]1CCC(C)(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)Nc2nnco2)CC1 ZINC001280211247 1261034597 /nfs/dbraw/zinc/03/45/97/1261034597.db2.gz RBDXWPZXBKGHCE-YJNKXOJESA-N 2 2 363.462 0.954 20 0 FCADLP C[NH+]1CCC(C)(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)Nc2nnco2)CC1 ZINC001280211247 1261034599 /nfs/dbraw/zinc/03/45/99/1261034599.db2.gz RBDXWPZXBKGHCE-YJNKXOJESA-N 2 2 363.462 0.954 20 0 FCADLP Cc1c[nH]c(C[N@H+]2C[C@H]3C[C@@H](CC(=O)NC4CC[NH+](C)CC4)O[C@H]3C2)n1 ZINC001280218208 1261037403 /nfs/dbraw/zinc/03/74/03/1261037403.db2.gz SNZHXNXKEBJXIC-PVAVHDDUSA-N 2 2 361.490 0.908 20 0 FCADLP Cc1c[nH]c(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NC4CC[NH+](C)CC4)O[C@H]3C2)n1 ZINC001280218208 1261037408 /nfs/dbraw/zinc/03/74/08/1261037408.db2.gz SNZHXNXKEBJXIC-PVAVHDDUSA-N 2 2 361.490 0.908 20 0 FCADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3C(C(=O)Nc4nnco4)=NO[C@@H]3C2)CCCC1 ZINC001280238154 1261041474 /nfs/dbraw/zinc/04/14/74/1261041474.db2.gz WAZWJYFIYIUQAD-QWHCGFSZSA-N 2 2 362.434 0.817 20 0 FCADLP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3C(C(=O)Nc4nnco4)=NO[C@@H]3C2)CCCC1 ZINC001280238154 1261041477 /nfs/dbraw/zinc/04/14/77/1261041477.db2.gz WAZWJYFIYIUQAD-QWHCGFSZSA-N 2 2 362.434 0.817 20 0 FCADLP Cc1c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cnn1-c1cc[nH+]cc1 ZINC001332370726 1266388375 /nfs/dbraw/zinc/38/83/75/1266388375.db2.gz PAMNBOHRAPZQMY-UHFFFAOYSA-N 2 2 356.430 0.422 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001281847686 1261230854 /nfs/dbraw/zinc/23/08/54/1261230854.db2.gz LZFDKICPGKHDAP-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001281847686 1261230855 /nfs/dbraw/zinc/23/08/55/1261230855.db2.gz LZFDKICPGKHDAP-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116660 1261637185 /nfs/dbraw/zinc/63/71/85/1261637185.db2.gz IBBIAXZMTAMSJN-HOTGVXAUSA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116660 1261637189 /nfs/dbraw/zinc/63/71/89/1261637189.db2.gz IBBIAXZMTAMSJN-HOTGVXAUSA-N 2 2 373.501 0.802 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001580290387 1278096005 /nfs/dbraw/zinc/09/60/05/1278096005.db2.gz IALPYVGOJCYMBK-NWDGAFQWSA-N 2 2 367.417 0.059 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[NH2+]1 ZINC001345481959 1261719561 /nfs/dbraw/zinc/71/95/61/1261719561.db2.gz IRMSROAEWIXQJF-HZPDHXFCSA-N 2 2 361.490 0.658 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001289719874 1262322417 /nfs/dbraw/zinc/32/24/17/1262322417.db2.gz FMOGGQZTPLNWNR-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CC([NH2+]C3COC3)C2)CC1 ZINC001304209049 1263136408 /nfs/dbraw/zinc/13/64/08/1263136408.db2.gz UJOYZLVRABOKNV-UHFFFAOYSA-N 2 2 368.478 0.175 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)C2)CC1 ZINC001312015874 1263270472 /nfs/dbraw/zinc/27/04/72/1263270472.db2.gz OMVFJIDLDKIEHF-OFQRWUPVSA-N 2 2 365.478 0.295 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)C2)CC1 ZINC001312015874 1263270479 /nfs/dbraw/zinc/27/04/79/1263270479.db2.gz OMVFJIDLDKIEHF-OFQRWUPVSA-N 2 2 365.478 0.295 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316988245 1263498035 /nfs/dbraw/zinc/49/80/35/1263498035.db2.gz SGUBDHRDHAYISJ-RRFJBIMHSA-N 2 2 362.478 0.422 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316988245 1263498039 /nfs/dbraw/zinc/49/80/39/1263498039.db2.gz SGUBDHRDHAYISJ-RRFJBIMHSA-N 2 2 362.478 0.422 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373502 1263685484 /nfs/dbraw/zinc/68/54/84/1263685484.db2.gz UEZKWNURLJIVHH-KGLIPLIRSA-N 2 2 354.414 0.797 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373502 1263685486 /nfs/dbraw/zinc/68/54/86/1263685486.db2.gz UEZKWNURLJIVHH-KGLIPLIRSA-N 2 2 354.414 0.797 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC001320271434 1263779537 /nfs/dbraw/zinc/77/95/37/1263779537.db2.gz BTGGROLMNFABSA-ARFHVFGLSA-N 2 2 371.441 0.229 20 0 FCADLP CC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001320363663 1263788073 /nfs/dbraw/zinc/78/80/73/1263788073.db2.gz GRFGTKDQYUJGFJ-GOSISDBHSA-N 2 2 365.522 0.807 20 0 FCADLP CC(=O)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001320363663 1263788080 /nfs/dbraw/zinc/78/80/80/1263788080.db2.gz GRFGTKDQYUJGFJ-GOSISDBHSA-N 2 2 365.522 0.807 20 0 FCADLP CC(=O)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001320363664 1263788556 /nfs/dbraw/zinc/78/85/56/1263788556.db2.gz GRFGTKDQYUJGFJ-SFHVURJKSA-N 2 2 365.522 0.807 20 0 FCADLP CC(=O)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001320363664 1263788562 /nfs/dbraw/zinc/78/85/62/1263788562.db2.gz GRFGTKDQYUJGFJ-SFHVURJKSA-N 2 2 365.522 0.807 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCc4n[nH]c(=O)cc4C3)CC2)CC1 ZINC001320718296 1263846698 /nfs/dbraw/zinc/84/66/98/1263846698.db2.gz PDTKTPSYBOQREJ-UHFFFAOYSA-N 2 2 374.489 0.809 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320805287 1263863071 /nfs/dbraw/zinc/86/30/71/1263863071.db2.gz SUSDFWXFDVRHKM-UHFFFAOYSA-N 2 2 356.430 0.550 20 0 FCADLP O=C(NC1CC1)[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440476 1263963330 /nfs/dbraw/zinc/96/33/30/1263963330.db2.gz NKSJWMWBIKSOHM-AUUYWEPGSA-N 2 2 362.474 0.851 20 0 FCADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440476 1263963337 /nfs/dbraw/zinc/96/33/37/1263963337.db2.gz NKSJWMWBIKSOHM-AUUYWEPGSA-N 2 2 362.474 0.851 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)[NH+]1CCOCC1 ZINC001321643034 1264020871 /nfs/dbraw/zinc/02/08/71/1264020871.db2.gz ONDPSQWDIKEXBR-ULQDDVLXSA-N 2 2 368.522 0.448 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3c4ccccc4oc3=O)C2)CC1 ZINC001321762038 1264054150 /nfs/dbraw/zinc/05/41/50/1264054150.db2.gz SWQQJJLCBPIJLS-AWEZNQCLSA-N 2 2 358.442 0.879 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3c4ccccc4oc3=O)C2)CC1 ZINC001321762038 1264054158 /nfs/dbraw/zinc/05/41/58/1264054158.db2.gz SWQQJJLCBPIJLS-AWEZNQCLSA-N 2 2 358.442 0.879 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001501171725 1264106984 /nfs/dbraw/zinc/10/69/84/1264106984.db2.gz GMXSFJNTMRQVMZ-HLLBOEOZSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001501171725 1264106992 /nfs/dbraw/zinc/10/69/92/1264106992.db2.gz GMXSFJNTMRQVMZ-HLLBOEOZSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001501171724 1264107196 /nfs/dbraw/zinc/10/71/96/1264107196.db2.gz GMXSFJNTMRQVMZ-BFYDXBDKSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001501171724 1264107200 /nfs/dbraw/zinc/10/72/00/1264107200.db2.gz GMXSFJNTMRQVMZ-BFYDXBDKSA-N 2 2 361.490 0.703 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322956311 1264302194 /nfs/dbraw/zinc/30/21/94/1264302194.db2.gz JFOKMEOTRSFXPR-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322956311 1264302207 /nfs/dbraw/zinc/30/22/07/1264302207.db2.gz JFOKMEOTRSFXPR-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1ocnc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323854034 1264529992 /nfs/dbraw/zinc/52/99/92/1264529992.db2.gz OKHYLPQGFQHDLE-HNNXBMFYSA-N 2 2 363.462 0.226 20 0 FCADLP Cc1ocnc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323854034 1264529997 /nfs/dbraw/zinc/52/99/97/1264529997.db2.gz OKHYLPQGFQHDLE-HNNXBMFYSA-N 2 2 363.462 0.226 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC(C4CCCC4)C3)C2)CC1 ZINC001324608933 1264678183 /nfs/dbraw/zinc/67/81/83/1264678183.db2.gz USEQAVORVSFRPJ-KRWDZBQOSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC(C4CCCC4)C3)C2)CC1 ZINC001324608933 1264678192 /nfs/dbraw/zinc/67/81/92/1264678192.db2.gz USEQAVORVSFRPJ-KRWDZBQOSA-N 2 2 362.518 0.920 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)CC[N@H+](C)C1 ZINC001325277129 1264831315 /nfs/dbraw/zinc/83/13/15/1264831315.db2.gz GJLJFGUPXPATFU-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)CC[N@@H+](C)C1 ZINC001325277129 1264831323 /nfs/dbraw/zinc/83/13/23/1264831323.db2.gz GJLJFGUPXPATFU-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277129 1264831333 /nfs/dbraw/zinc/83/13/33/1264831333.db2.gz GJLJFGUPXPATFU-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277129 1264831344 /nfs/dbraw/zinc/83/13/44/1264831344.db2.gz GJLJFGUPXPATFU-ROUUACIJSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC[N@H+](C)C1 ZINC001325278155 1264833273 /nfs/dbraw/zinc/83/32/73/1264833273.db2.gz KZVWXTSIYZFKGE-AWEZNQCLSA-N 2 2 357.414 0.753 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC[N@@H+](C)C1 ZINC001325278155 1264833278 /nfs/dbraw/zinc/83/32/78/1264833278.db2.gz KZVWXTSIYZFKGE-AWEZNQCLSA-N 2 2 357.414 0.753 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH3+])CC1 ZINC001325380393 1264868644 /nfs/dbraw/zinc/86/86/44/1264868644.db2.gz NDCGZKAQUAHDEJ-UHFFFAOYSA-N 2 2 362.474 0.331 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001325718275 1264977274 /nfs/dbraw/zinc/97/72/74/1264977274.db2.gz GXYHPZWXCKLKNJ-MRXNPFEDSA-N 2 2 361.490 0.039 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)CC[NH2+]CC2 ZINC001326142663 1265066662 /nfs/dbraw/zinc/06/66/62/1265066662.db2.gz NUPHXACLKPXEAI-JKSUJKDBSA-N 2 2 371.485 0.767 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)CC[NH2+]CC2 ZINC001326142659 1265067101 /nfs/dbraw/zinc/06/71/01/1265067101.db2.gz NUPHXACLKPXEAI-HZPDHXFCSA-N 2 2 371.485 0.767 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)NCCCn3cc[nH+]c3)C2)C1 ZINC001326549271 1265132961 /nfs/dbraw/zinc/13/29/61/1265132961.db2.gz IJBWQCRNHBSGRM-OAGGEKHMSA-N 2 2 363.462 0.134 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cncc(F)c3)CC2)CC1 ZINC001327013002 1265217640 /nfs/dbraw/zinc/21/76/40/1265217640.db2.gz HDZNPSNHDANTSE-UHFFFAOYSA-N 2 2 363.437 0.834 20 0 FCADLP C[C@@]([NH3+])(C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001333260679 1266567502 /nfs/dbraw/zinc/56/75/02/1266567502.db2.gz MCSTVYRPPPMMOR-QUCCMNQESA-N 2 2 360.502 0.773 20 0 FCADLP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001333885351 1266738774 /nfs/dbraw/zinc/73/87/74/1266738774.db2.gz SRFJNPBXDRRDTJ-INIZCTEOSA-N 2 2 362.474 0.247 20 0 FCADLP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001333885351 1266738786 /nfs/dbraw/zinc/73/87/86/1266738786.db2.gz SRFJNPBXDRRDTJ-INIZCTEOSA-N 2 2 362.474 0.247 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC001548897851 1267766549 /nfs/dbraw/zinc/76/65/49/1267766549.db2.gz QICVAPBUJDLOQB-VKJFTORMSA-N 2 2 374.489 0.960 20 0 FCADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@@H+]1C1CC1 ZINC001549120864 1267815615 /nfs/dbraw/zinc/81/56/15/1267815615.db2.gz BMGVWXDBFQUNQK-UZLBHIALSA-N 2 2 374.533 0.699 20 0 FCADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@H+]1C1CC1 ZINC001549120864 1267815631 /nfs/dbraw/zinc/81/56/31/1267815631.db2.gz BMGVWXDBFQUNQK-UZLBHIALSA-N 2 2 374.533 0.699 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC001549154465 1267833824 /nfs/dbraw/zinc/83/38/24/1267833824.db2.gz XLHGBKFORPGAIC-RVSPLBMKSA-N 2 2 362.478 0.769 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549154321 1267834005 /nfs/dbraw/zinc/83/40/05/1267834005.db2.gz VJTROGLQDFPUCS-VBQJREDUSA-N 2 2 362.478 0.723 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549154321 1267834017 /nfs/dbraw/zinc/83/40/17/1267834017.db2.gz VJTROGLQDFPUCS-VBQJREDUSA-N 2 2 362.478 0.723 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001549156598 1267836239 /nfs/dbraw/zinc/83/62/39/1267836239.db2.gz SBDCOFAYQRENNQ-ADAWSYLGSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001549156598 1267836256 /nfs/dbraw/zinc/83/62/56/1267836256.db2.gz SBDCOFAYQRENNQ-ADAWSYLGSA-N 2 2 374.489 0.866 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549158075 1267837299 /nfs/dbraw/zinc/83/72/99/1267837299.db2.gz FTNVYYFUDQEDDI-PBHICJAKSA-N 2 2 362.478 0.912 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549159113 1267839595 /nfs/dbraw/zinc/83/95/95/1267839595.db2.gz SZJKVXKDYBNVIJ-PBHICJAKSA-N 2 2 362.478 0.723 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001549176488 1267853119 /nfs/dbraw/zinc/85/31/19/1267853119.db2.gz IRHJXJSEGPBAGL-XHVZSJERSA-N 2 2 356.377 0.036 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC001549176671 1267853410 /nfs/dbraw/zinc/85/34/10/1267853410.db2.gz RYQMWWTXYFXFHU-YJBOKZPZSA-N 2 2 370.457 0.740 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001549553992 1267954316 /nfs/dbraw/zinc/95/43/16/1267954316.db2.gz LJUPPPBBENDEQV-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001549553992 1267954318 /nfs/dbraw/zinc/95/43/18/1267954318.db2.gz LJUPPPBBENDEQV-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)CN1CC[NH+]1CCOCC1 ZINC001338489500 1267959426 /nfs/dbraw/zinc/95/94/26/1267959426.db2.gz UCMBDFINTANLTM-RTBURBONSA-N 2 2 361.486 0.503 20 0 FCADLP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC001549745648 1267986456 /nfs/dbraw/zinc/98/64/56/1267986456.db2.gz NIVIRRZVBQFDRP-LSDHHAIUSA-N 2 2 356.430 0.833 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894741 1268016035 /nfs/dbraw/zinc/01/60/35/1268016035.db2.gz ORFOXTHOMHCTBH-NXHRZFHOSA-N 2 2 371.485 0.592 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894741 1268016043 /nfs/dbraw/zinc/01/60/43/1268016043.db2.gz ORFOXTHOMHCTBH-NXHRZFHOSA-N 2 2 371.485 0.592 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001549998989 1268041154 /nfs/dbraw/zinc/04/11/54/1268041154.db2.gz BQFKUPDJTCKWLT-QZTJIDSGSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC001549998989 1268041160 /nfs/dbraw/zinc/04/11/60/1268041160.db2.gz BQFKUPDJTCKWLT-QZTJIDSGSA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC001550265883 1268099952 /nfs/dbraw/zinc/09/99/52/1268099952.db2.gz QVZLZJKRXOBLKC-HKUYNNGSSA-N 2 2 357.502 0.905 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@H](c2ccccc2)C1 ZINC001550401126 1268111590 /nfs/dbraw/zinc/11/15/90/1268111590.db2.gz JBJIUHSVLBFJRP-ROUUACIJSA-N 2 2 359.470 0.897 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)[C@H](c2ccccc2)C1 ZINC001550401126 1268111593 /nfs/dbraw/zinc/11/15/93/1268111593.db2.gz JBJIUHSVLBFJRP-ROUUACIJSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)[C@H](c2ccccc2)C1 ZINC001550401126 1268111598 /nfs/dbraw/zinc/11/15/98/1268111598.db2.gz JBJIUHSVLBFJRP-ROUUACIJSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)[C@H](c2ccccc2)C1 ZINC001550401126 1268111600 /nfs/dbraw/zinc/11/16/00/1268111600.db2.gz JBJIUHSVLBFJRP-ROUUACIJSA-N 2 2 359.470 0.897 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC[N@@H+](C2CC2)C1 ZINC001550570610 1268134056 /nfs/dbraw/zinc/13/40/56/1268134056.db2.gz GOQRKSHHFVZDCE-RYQLBKOJSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC[N@H+](C2CC2)C1 ZINC001550570610 1268134059 /nfs/dbraw/zinc/13/40/59/1268134059.db2.gz GOQRKSHHFVZDCE-RYQLBKOJSA-N 2 2 351.491 0.809 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC001550654506 1268145589 /nfs/dbraw/zinc/14/55/89/1268145589.db2.gz FFGVZPVUEFAUNF-LGWLGOQQSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC001550654506 1268145591 /nfs/dbraw/zinc/14/55/91/1268145591.db2.gz FFGVZPVUEFAUNF-LGWLGOQQSA-N 2 2 360.462 0.475 20 0 FCADLP Cc1cccn2c(CC(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)c[nH+]c12 ZINC001550679191 1268148310 /nfs/dbraw/zinc/14/83/10/1268148310.db2.gz JMKPDUJTLJQLIY-KRWDZBQOSA-N 2 2 369.469 0.997 20 0 FCADLP Cc1cccn2c(CC(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)c[nH+]c12 ZINC001550679195 1268148454 /nfs/dbraw/zinc/14/84/54/1268148454.db2.gz JMKPDUJTLJQLIY-QGZVFWFLSA-N 2 2 369.469 0.997 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3C[NH2+]C[C@@H]3F)C2)c1 ZINC001550765667 1268165440 /nfs/dbraw/zinc/16/54/40/1268165440.db2.gz VNHGHKDZSIRUFC-IKGGRYGDSA-N 2 2 350.438 0.805 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3C[NH2+]C[C@@H]3F)C2)c1 ZINC001550765667 1268165445 /nfs/dbraw/zinc/16/54/45/1268165445.db2.gz VNHGHKDZSIRUFC-IKGGRYGDSA-N 2 2 350.438 0.805 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001550854384 1268174979 /nfs/dbraw/zinc/17/49/79/1268174979.db2.gz SVRFFYXDJDTRKX-DLBZAZTESA-N 2 2 351.491 0.450 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1C[NH+]2CCC1CC2 ZINC001339142017 1268174931 /nfs/dbraw/zinc/17/49/31/1268174931.db2.gz QATKUZPDCPMXMT-KRWDZBQOSA-N 2 2 371.485 0.721 20 0 FCADLP CC[C@H](C)[NH+]1CCN(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CC1 ZINC001339148054 1268175875 /nfs/dbraw/zinc/17/58/75/1268175875.db2.gz SZQNCOZZLWSQBH-HNNXBMFYSA-N 2 2 350.511 0.940 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCC[C@@H]3S(C)(=O)=O)c2)CC1 ZINC001550877591 1268179488 /nfs/dbraw/zinc/17/94/88/1268179488.db2.gz ZFLAGAKPASOACE-GJZGRUSLSA-N 2 2 366.487 0.985 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001551471640 1268258338 /nfs/dbraw/zinc/25/83/38/1268258338.db2.gz RTLMZBNADRLFCK-SFHVURJKSA-N 2 2 361.490 0.222 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001551471640 1268258341 /nfs/dbraw/zinc/25/83/41/1268258341.db2.gz RTLMZBNADRLFCK-SFHVURJKSA-N 2 2 361.490 0.222 20 0 FCADLP CCOC1CC(CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)([NH+]2CCOCC2)C1 ZINC001551573760 1268274828 /nfs/dbraw/zinc/27/48/28/1268274828.db2.gz GPXFXLFMVQUYMQ-FMVYEHJMSA-N 2 2 352.479 0.435 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934860 1268314526 /nfs/dbraw/zinc/31/45/26/1268314526.db2.gz CSRZDMUIJPKLAC-FPCVCCKLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934860 1268314536 /nfs/dbraw/zinc/31/45/36/1268314536.db2.gz CSRZDMUIJPKLAC-FPCVCCKLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)N(c2cc(N)[nH+]cn2)C1 ZINC001551939023 1268317616 /nfs/dbraw/zinc/31/76/16/1268317616.db2.gz LFVWPCUICHXCNM-KBUPBQIOSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001552008991 1268350521 /nfs/dbraw/zinc/35/05/21/1268350521.db2.gz CSZPPVUKLQPCHM-OKZBNKHCSA-N 2 2 367.538 0.517 20 0 FCADLP Cn1cc([C@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@H]2[NH3+])cn1 ZINC001552098220 1268372713 /nfs/dbraw/zinc/37/27/13/1268372713.db2.gz SYNPCHNEYMYTHO-HZPDHXFCSA-N 2 2 357.462 0.632 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC001552166275 1268398498 /nfs/dbraw/zinc/39/84/98/1268398498.db2.gz FZBWSAQLYQCFHN-IAGOWNOFSA-N 2 2 354.458 0.775 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc3n(n2)C[C@@H](C)[NH2+]C3)CC1 ZINC001340042404 1268415065 /nfs/dbraw/zinc/41/50/65/1268415065.db2.gz XGWRPPSXKKXUQI-CYBMUJFWSA-N 2 2 362.478 0.095 20 0 FCADLP C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001552241221 1268420379 /nfs/dbraw/zinc/42/03/79/1268420379.db2.gz DXXLXHIPJKUZAQ-RBUKOAKNSA-N 2 2 368.485 0.768 20 0 FCADLP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001552241221 1268420384 /nfs/dbraw/zinc/42/03/84/1268420384.db2.gz DXXLXHIPJKUZAQ-RBUKOAKNSA-N 2 2 368.485 0.768 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC001340118196 1268441394 /nfs/dbraw/zinc/44/13/94/1268441394.db2.gz GNJCNPLXQWDHBI-YJBOKZPZSA-N 2 2 361.490 0.776 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001580501949 1278411299 /nfs/dbraw/zinc/41/12/99/1278411299.db2.gz ONHVUBDGQWEYJD-SNVBAGLBSA-N 2 2 372.408 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@H]1[NH+]1CCOCC1 ZINC001552694138 1268523547 /nfs/dbraw/zinc/52/35/47/1268523547.db2.gz JCBGUCCXPSWSHQ-MUIFIZLQSA-N 2 2 362.478 0.513 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC001552712057 1268531197 /nfs/dbraw/zinc/53/11/97/1268531197.db2.gz DUPCRJYSXRMOSO-ZWKOTPCHSA-N 2 2 369.469 0.773 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC001552712057 1268531203 /nfs/dbraw/zinc/53/12/03/1268531203.db2.gz DUPCRJYSXRMOSO-ZWKOTPCHSA-N 2 2 369.469 0.773 20 0 FCADLP CN(C(=O)C(=O)NCCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001340389435 1268532172 /nfs/dbraw/zinc/53/21/72/1268532172.db2.gz MFAUDKKZBWQUJM-ZDUSSCGKSA-N 2 2 364.412 0.682 20 0 FCADLP CN(C(=O)C(=O)NCCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001340389435 1268532177 /nfs/dbraw/zinc/53/21/77/1268532177.db2.gz MFAUDKKZBWQUJM-ZDUSSCGKSA-N 2 2 364.412 0.682 20 0 FCADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770520 1268543722 /nfs/dbraw/zinc/54/37/22/1268543722.db2.gz WLDDCAGAACJWHI-QGZVFWFLSA-N 2 2 366.554 0.044 20 0 FCADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770520 1268543725 /nfs/dbraw/zinc/54/37/25/1268543725.db2.gz WLDDCAGAACJWHI-QGZVFWFLSA-N 2 2 366.554 0.044 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC001552793981 1268548632 /nfs/dbraw/zinc/54/86/32/1268548632.db2.gz ZTNIMXMEFTWRTR-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC001552793981 1268548639 /nfs/dbraw/zinc/54/86/39/1268548639.db2.gz ZTNIMXMEFTWRTR-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552831568 1268555891 /nfs/dbraw/zinc/55/58/91/1268555891.db2.gz SIKUJJFDPUUXMH-KBXCAEBGSA-N 2 2 355.446 0.544 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552838700 1268556818 /nfs/dbraw/zinc/55/68/18/1268556818.db2.gz QAUYKSBILFJEPW-DTWKUNHWSA-N 2 2 364.347 0.725 20 0 FCADLP O=C(c1cccnc1Cl)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001553013977 1268578737 /nfs/dbraw/zinc/57/87/37/1268578737.db2.gz IWQVAQVUSSBANZ-CYBMUJFWSA-N 2 2 350.850 0.871 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553119648 1268592807 /nfs/dbraw/zinc/59/28/07/1268592807.db2.gz GFSIFHYVJYXDRQ-VSZNYVQBSA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553119648 1268592810 /nfs/dbraw/zinc/59/28/10/1268592810.db2.gz GFSIFHYVJYXDRQ-VSZNYVQBSA-N 2 2 351.491 0.951 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553136750 1268595412 /nfs/dbraw/zinc/59/54/12/1268595412.db2.gz VPUNIVFUESXFOZ-ROUUACIJSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H](CNC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[NH+]1CCOCC1 ZINC001553425995 1268648751 /nfs/dbraw/zinc/64/87/51/1268648751.db2.gz HMMLZXYNWCRUTQ-MAUKXSAKSA-N 2 2 354.495 0.494 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]2[NH3+])c1 ZINC001553467565 1268655479 /nfs/dbraw/zinc/65/54/79/1268655479.db2.gz RGFLIMUSFSIHIG-ZNMIVQPWSA-N 2 2 355.446 0.530 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340953793 1268721675 /nfs/dbraw/zinc/72/16/75/1268721675.db2.gz RYEIOCYEFDAOQO-FQEVSTJZSA-N 2 2 374.485 0.466 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001340953793 1268721683 /nfs/dbraw/zinc/72/16/83/1268721683.db2.gz RYEIOCYEFDAOQO-FQEVSTJZSA-N 2 2 374.485 0.466 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cc(C(N)=O)no3)CC2)CC1 ZINC001341007100 1268741318 /nfs/dbraw/zinc/74/13/18/1268741318.db2.gz SVQIRXOHFGDGFW-UHFFFAOYSA-N 2 2 364.450 0.131 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1C ZINC001341223395 1268874125 /nfs/dbraw/zinc/87/41/25/1268874125.db2.gz GXSARLFJKCPPTI-ALOPSCKCSA-N 2 2 362.522 0.999 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1C ZINC001341223395 1268874132 /nfs/dbraw/zinc/87/41/32/1268874132.db2.gz GXSARLFJKCPPTI-ALOPSCKCSA-N 2 2 362.522 0.999 20 0 FCADLP Cn1cc[nH+]c1Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC001341247100 1268889458 /nfs/dbraw/zinc/88/94/58/1268889458.db2.gz GTXZIGXPUZSGMZ-OAHLLOKOSA-N 2 2 359.478 0.688 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1O ZINC001341802398 1269217999 /nfs/dbraw/zinc/21/79/99/1269217999.db2.gz SZALJDONCINLAH-HZPDHXFCSA-N 2 2 362.474 0.650 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1O ZINC001341802398 1269218004 /nfs/dbraw/zinc/21/80/04/1269218004.db2.gz SZALJDONCINLAH-HZPDHXFCSA-N 2 2 362.474 0.650 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567873942 1269711926 /nfs/dbraw/zinc/71/19/26/1269711926.db2.gz DTWIDYIXWCUENV-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567873942 1269711930 /nfs/dbraw/zinc/71/19/30/1269711930.db2.gz DTWIDYIXWCUENV-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001567873942 1269711936 /nfs/dbraw/zinc/71/19/36/1269711936.db2.gz DTWIDYIXWCUENV-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567873942 1269711942 /nfs/dbraw/zinc/71/19/42/1269711942.db2.gz DTWIDYIXWCUENV-OWCLPIDISA-N 2 2 359.536 0.730 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001343686708 1269983404 /nfs/dbraw/zinc/98/34/04/1269983404.db2.gz PAXPOAQSUZWKDZ-DLBZAZTESA-N 2 2 368.441 0.923 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)CC1 ZINC001573055542 1270573502 /nfs/dbraw/zinc/57/35/02/1270573502.db2.gz NDAUFHXNTSBBDD-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC001573055542 1270573509 /nfs/dbraw/zinc/57/35/09/1270573509.db2.gz NDAUFHXNTSBBDD-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)CC2C[NH2+]C2)CC1 ZINC001573371618 1270765550 /nfs/dbraw/zinc/76/55/50/1270765550.db2.gz YHNLEUVHUUVCFJ-UHFFFAOYSA-N 2 2 363.510 0.221 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026487 1271004975 /nfs/dbraw/zinc/00/49/75/1271004975.db2.gz BSHALDQSFFGUJU-CVEARBPZSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026487 1271004979 /nfs/dbraw/zinc/00/49/79/1271004979.db2.gz BSHALDQSFFGUJU-CVEARBPZSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033563 1271016024 /nfs/dbraw/zinc/01/60/24/1271016024.db2.gz VHXLSUSSUVYDJO-MRXNPFEDSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033563 1271016031 /nfs/dbraw/zinc/01/60/31/1271016031.db2.gz VHXLSUSSUVYDJO-MRXNPFEDSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574260841 1271134608 /nfs/dbraw/zinc/13/46/08/1271134608.db2.gz ZATZEZVPOKFFKC-TZMCWYRMSA-N 2 2 358.450 0.543 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574260841 1271134615 /nfs/dbraw/zinc/13/46/15/1271134615.db2.gz ZATZEZVPOKFFKC-TZMCWYRMSA-N 2 2 358.450 0.543 20 0 FCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574612506 1271418989 /nfs/dbraw/zinc/41/89/89/1271418989.db2.gz GGMWJUDDAYIBJW-LLVKDONJSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574652995 1271451517 /nfs/dbraw/zinc/45/15/17/1271451517.db2.gz DNNRJQITANUOIS-LLVKDONJSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574776100 1271509945 /nfs/dbraw/zinc/50/99/45/1271509945.db2.gz PIBXGCFZZSXVLR-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574776100 1271509949 /nfs/dbraw/zinc/50/99/49/1271509949.db2.gz PIBXGCFZZSXVLR-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574786141 1271521132 /nfs/dbraw/zinc/52/11/32/1271521132.db2.gz QQCYPNSEUDTIQR-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574786141 1271521141 /nfs/dbraw/zinc/52/11/41/1271521141.db2.gz QQCYPNSEUDTIQR-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575114888 1271726170 /nfs/dbraw/zinc/72/61/70/1271726170.db2.gz KXVRNVZMJSWODZ-CJNGLKHVSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575114888 1271726175 /nfs/dbraw/zinc/72/61/75/1271726175.db2.gz KXVRNVZMJSWODZ-CJNGLKHVSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001575377925 1272021831 /nfs/dbraw/zinc/02/18/31/1272021831.db2.gz FCGGYSUNEJIAML-MNOVXSKESA-N 2 2 372.408 0.954 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575388798 1272036237 /nfs/dbraw/zinc/03/62/37/1272036237.db2.gz RADDIMIZOCYILB-QWRGUYRKSA-N 2 2 360.447 0.808 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575390392 1272038101 /nfs/dbraw/zinc/03/81/01/1272038101.db2.gz ZOOJZNXIAJFNAO-GHMZBOCLSA-N 2 2 374.474 0.887 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575393248 1272039595 /nfs/dbraw/zinc/03/95/95/1272039595.db2.gz VKFGQSMPRZOTHJ-NWDGAFQWSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001575398776 1272047310 /nfs/dbraw/zinc/04/73/10/1272047310.db2.gz FMWSLEPNLJDZLH-NEPJUHHUSA-N 2 2 354.418 0.815 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001575419658 1272074855 /nfs/dbraw/zinc/07/48/55/1272074855.db2.gz CSKNAMQUYVWPDP-QGZVFWFLSA-N 2 2 363.510 0.301 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001575419658 1272074867 /nfs/dbraw/zinc/07/48/67/1272074867.db2.gz CSKNAMQUYVWPDP-QGZVFWFLSA-N 2 2 363.510 0.301 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001575419658 1272074878 /nfs/dbraw/zinc/07/48/78/1272074878.db2.gz CSKNAMQUYVWPDP-QGZVFWFLSA-N 2 2 363.510 0.301 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001575419658 1272074888 /nfs/dbraw/zinc/07/48/88/1272074888.db2.gz CSKNAMQUYVWPDP-QGZVFWFLSA-N 2 2 363.510 0.301 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575994587 1272664455 /nfs/dbraw/zinc/66/44/55/1272664455.db2.gz YHLKDXPOHDNCPJ-KGLIPLIRSA-N 2 2 370.461 0.831 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576017519 1272718017 /nfs/dbraw/zinc/71/80/17/1272718017.db2.gz AHRQUMLNJNPEKC-DOMZBBRYSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257022 1273041400 /nfs/dbraw/zinc/04/14/00/1273041400.db2.gz VMCOKZWTEMVIBE-DOMZBBRYSA-N 2 2 367.417 0.229 20 0 FCADLP CC[C@@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483862 1273326422 /nfs/dbraw/zinc/32/64/22/1273326422.db2.gz XNKJINRQOUUIKC-AWEZNQCLSA-N 2 2 360.466 0.887 20 0 FCADLP CC[C@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501812 1273367371 /nfs/dbraw/zinc/36/73/71/1273367371.db2.gz YMMVGSQYCNUIEH-UKRRQHHQSA-N 2 2 372.477 0.935 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576519671 1273404442 /nfs/dbraw/zinc/40/44/42/1273404442.db2.gz OGZACZMLBNQDDS-ULQDDVLXSA-N 2 2 369.473 0.992 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576519671 1273404446 /nfs/dbraw/zinc/40/44/46/1273404446.db2.gz OGZACZMLBNQDDS-ULQDDVLXSA-N 2 2 369.473 0.992 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555665 1273435084 /nfs/dbraw/zinc/43/50/84/1273435084.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555665 1273435085 /nfs/dbraw/zinc/43/50/85/1273435085.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555665 1273435088 /nfs/dbraw/zinc/43/50/88/1273435088.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CCc3c[nH]nn3)C2)C1 ZINC001576555665 1273435089 /nfs/dbraw/zinc/43/50/89/1273435089.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555665 1273435091 /nfs/dbraw/zinc/43/50/91/1273435091.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555665 1273435093 /nfs/dbraw/zinc/43/50/93/1273435093.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555665 1273435096 /nfs/dbraw/zinc/43/50/96/1273435096.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)CCc3cn[nH]n3)C2)C1 ZINC001576555665 1273435100 /nfs/dbraw/zinc/43/51/00/1273435100.db2.gz HIMGFOAZYWNATF-NVXWUHKLSA-N 2 2 364.494 0.238 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557707 1273436595 /nfs/dbraw/zinc/43/65/95/1273436595.db2.gz SVAFHPXPQDDIJM-NVXWUHKLSA-N 2 2 350.467 0.122 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557707 1273436597 /nfs/dbraw/zinc/43/65/97/1273436597.db2.gz SVAFHPXPQDDIJM-NVXWUHKLSA-N 2 2 350.467 0.122 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CC[C@](C)(C[NH2+]Cc3c[nH]nn3)C2)cn1 ZINC001576749273 1273619545 /nfs/dbraw/zinc/61/95/45/1273619545.db2.gz CKSQTLQLNJWSDL-QGZVFWFLSA-N 2 2 360.466 0.205 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@](C)(C[NH2+]Cc3c[nH]nn3)C2)n1 ZINC001576749255 1273620755 /nfs/dbraw/zinc/62/07/55/1273620755.db2.gz BRDCBJQINXNVSG-KRWDZBQOSA-N 2 2 360.466 0.205 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576835996 1273768649 /nfs/dbraw/zinc/76/86/49/1273768649.db2.gz UUHQMPXKKGQNJN-CYBMUJFWSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001576855198 1273808726 /nfs/dbraw/zinc/80/87/26/1273808726.db2.gz SOVQGOCXLCEWQF-HYVNUMGLSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001576855198 1273808730 /nfs/dbraw/zinc/80/87/30/1273808730.db2.gz SOVQGOCXLCEWQF-HYVNUMGLSA-N 2 2 354.495 0.635 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576884755 1273874179 /nfs/dbraw/zinc/87/41/79/1273874179.db2.gz ZOARXWXGXQIMRR-BFHRDPOASA-N 2 2 362.478 0.529 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576884755 1273874187 /nfs/dbraw/zinc/87/41/87/1273874187.db2.gz ZOARXWXGXQIMRR-BFHRDPOASA-N 2 2 362.478 0.529 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576884755 1273874193 /nfs/dbraw/zinc/87/41/93/1273874193.db2.gz ZOARXWXGXQIMRR-BFHRDPOASA-N 2 2 362.478 0.529 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576884755 1273874198 /nfs/dbraw/zinc/87/41/98/1273874198.db2.gz ZOARXWXGXQIMRR-BFHRDPOASA-N 2 2 362.478 0.529 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906182 1273916225 /nfs/dbraw/zinc/91/62/25/1273916225.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906182 1273916232 /nfs/dbraw/zinc/91/62/32/1273916232.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906182 1273916244 /nfs/dbraw/zinc/91/62/44/1273916244.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906182 1273916250 /nfs/dbraw/zinc/91/62/50/1273916250.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906182 1273916255 /nfs/dbraw/zinc/91/62/55/1273916255.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906182 1273916266 /nfs/dbraw/zinc/91/62/66/1273916266.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906182 1273916272 /nfs/dbraw/zinc/91/62/72/1273916272.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906182 1273916285 /nfs/dbraw/zinc/91/62/85/1273916285.db2.gz OJRIWEZPDCBGDZ-DZGCQCFKSA-N 2 2 370.448 0.905 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554047 1274495219 /nfs/dbraw/zinc/49/52/19/1274495219.db2.gz ONQJMXBGJVVYQV-CYBMUJFWSA-N 2 2 358.450 0.641 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554047 1274495221 /nfs/dbraw/zinc/49/52/21/1274495221.db2.gz ONQJMXBGJVVYQV-CYBMUJFWSA-N 2 2 358.450 0.641 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577556974 1274498864 /nfs/dbraw/zinc/49/88/64/1274498864.db2.gz MIVPXBGETKSRRP-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577556974 1274498868 /nfs/dbraw/zinc/49/88/68/1274498868.db2.gz MIVPXBGETKSRRP-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562763 1274514012 /nfs/dbraw/zinc/51/40/12/1274514012.db2.gz FEVUQTGTDGIDRO-ZDUSSCGKSA-N 2 2 358.450 0.546 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562763 1274514015 /nfs/dbraw/zinc/51/40/15/1274514015.db2.gz FEVUQTGTDGIDRO-ZDUSSCGKSA-N 2 2 358.450 0.546 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563157 1274515537 /nfs/dbraw/zinc/51/55/37/1274515537.db2.gz MGRLVOWNZSABDI-AWEZNQCLSA-N 2 2 372.477 0.936 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563157 1274515541 /nfs/dbraw/zinc/51/55/41/1274515541.db2.gz MGRLVOWNZSABDI-AWEZNQCLSA-N 2 2 372.477 0.936 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577563712 1274517524 /nfs/dbraw/zinc/51/75/24/1274517524.db2.gz YGANFBPULAGIRJ-ZDUSSCGKSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577563712 1274517528 /nfs/dbraw/zinc/51/75/28/1274517528.db2.gz YGANFBPULAGIRJ-ZDUSSCGKSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577565370 1274519690 /nfs/dbraw/zinc/51/96/90/1274519690.db2.gz RYHKPIWDFOMSOS-XPKDYRNWSA-N 2 2 370.461 0.829 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577565370 1274519693 /nfs/dbraw/zinc/51/96/93/1274519693.db2.gz RYHKPIWDFOMSOS-XPKDYRNWSA-N 2 2 370.461 0.829 20 0 FCADLP CCCN(CCNC(=O)Cn1cc[nH+]c1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577612726 1274589850 /nfs/dbraw/zinc/58/98/50/1274589850.db2.gz JPRZREUIWQYORW-UHFFFAOYSA-N 2 2 369.433 0.799 20 0 FCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577808630 1274914082 /nfs/dbraw/zinc/91/40/82/1274914082.db2.gz DEJPDSGNYMUEMV-ZDUSSCGKSA-N 2 2 367.417 0.586 20 0 FCADLP O=C(NC[C@@H]([NH2+]Cc1cnn[nH]1)C1CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001577987505 1275226752 /nfs/dbraw/zinc/22/67/52/1275226752.db2.gz AOBVHLAMCBFNMK-MRXNPFEDSA-N 2 2 352.402 0.684 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCc2c[nH]nn2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001578019948 1275289297 /nfs/dbraw/zinc/28/92/97/1275289297.db2.gz JCNMDGYXTLADOT-HNNXBMFYSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001578019948 1275289305 /nfs/dbraw/zinc/28/93/05/1275289305.db2.gz JCNMDGYXTLADOT-HNNXBMFYSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCc2cn[nH]n2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001578019948 1275289310 /nfs/dbraw/zinc/28/93/10/1275289310.db2.gz JCNMDGYXTLADOT-HNNXBMFYSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCc2cn[nH]n2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001578019948 1275289317 /nfs/dbraw/zinc/28/93/17/1275289317.db2.gz JCNMDGYXTLADOT-HNNXBMFYSA-N 2 2 352.402 0.432 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001578028891 1275302533 /nfs/dbraw/zinc/30/25/33/1275302533.db2.gz BNGJAEUMWCXKAO-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001578028891 1275302536 /nfs/dbraw/zinc/30/25/36/1275302536.db2.gz BNGJAEUMWCXKAO-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001578031970 1275307666 /nfs/dbraw/zinc/30/76/66/1275307666.db2.gz GVPUUEMGEUDLHO-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001578031970 1275307671 /nfs/dbraw/zinc/30/76/71/1275307671.db2.gz GVPUUEMGEUDLHO-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578037298 1275315569 /nfs/dbraw/zinc/31/55/69/1275315569.db2.gz FNZYOUZHHAJUFB-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578037298 1275315575 /nfs/dbraw/zinc/31/55/75/1275315575.db2.gz FNZYOUZHHAJUFB-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)Cn1c[nH+]cc1C ZINC001578136242 1275435019 /nfs/dbraw/zinc/43/50/19/1275435019.db2.gz OMFKYQVYMJISGM-UHFFFAOYSA-N 2 2 355.406 0.149 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)CC1 ZINC001578215855 1275509677 /nfs/dbraw/zinc/50/96/77/1275509677.db2.gz RBUXCAVJPOJRBU-UHFFFAOYSA-N 2 2 372.477 0.827 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)CC1 ZINC001578215855 1275509679 /nfs/dbraw/zinc/50/96/79/1275509679.db2.gz RBUXCAVJPOJRBU-UHFFFAOYSA-N 2 2 372.477 0.827 20 0 FCADLP C[NH+](C)[C@@]1(C(=O)N2CC(n3cc(C[NH3+])nn3)C2)COc2ccccc2C1 ZINC001578407892 1275781769 /nfs/dbraw/zinc/78/17/69/1275781769.db2.gz DCURDUMNIMNBOM-GOSISDBHSA-N 2 2 356.430 0.056 20 0 FCADLP CC[C@@H](C(=O)N(C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001578418027 1275785821 /nfs/dbraw/zinc/78/58/21/1275785821.db2.gz YLAOQLSBWWFMOE-INIZCTEOSA-N 2 2 357.462 0.850 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578445150 1275831555 /nfs/dbraw/zinc/83/15/55/1275831555.db2.gz HTKQMZQBCUQXMA-GOSISDBHSA-N 2 2 355.479 0.629 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC001578471365 1275884337 /nfs/dbraw/zinc/88/43/37/1275884337.db2.gz IBVQGWPVIGBVRW-GDBMZVCRSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC001578471365 1275884348 /nfs/dbraw/zinc/88/43/48/1275884348.db2.gz IBVQGWPVIGBVRW-GDBMZVCRSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001578471548 1275884410 /nfs/dbraw/zinc/88/44/10/1275884410.db2.gz RJYAXYUHNVVZFG-OAHLLOKOSA-N 2 2 372.477 0.935 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC[NH2+]2)n1CCCCCO ZINC001578473336 1275886474 /nfs/dbraw/zinc/88/64/74/1275886474.db2.gz MWKVJVSGCZNSMU-INIZCTEOSA-N 2 2 366.510 0.634 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc(C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001578611915 1276048651 /nfs/dbraw/zinc/04/86/51/1276048651.db2.gz MMPRFGBEOOAZRP-MRXNPFEDSA-N 2 2 357.462 0.665 20 0 FCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC001578707753 1276177131 /nfs/dbraw/zinc/17/71/31/1276177131.db2.gz QKLYQSZOLNIPKX-UHFFFAOYSA-N 2 2 351.407 0.652 20 0 FCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC001578707753 1276177138 /nfs/dbraw/zinc/17/71/38/1276177138.db2.gz QKLYQSZOLNIPKX-UHFFFAOYSA-N 2 2 351.407 0.652 20 0 FCADLP C[NH2+]CCn1c(C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001578721830 1276195130 /nfs/dbraw/zinc/19/51/30/1276195130.db2.gz UKBJVCXUFZIIRB-KRWDZBQOSA-N 2 2 365.526 0.037 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578886800 1276419315 /nfs/dbraw/zinc/41/93/15/1276419315.db2.gz HVNRYQFVARBPLE-LBPRGKRZSA-N 2 2 353.390 0.196 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578887109 1276421119 /nfs/dbraw/zinc/42/11/19/1276421119.db2.gz TXYCTNWLRUDXIO-GFCCVEGCSA-N 2 2 372.458 0.858 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578887109 1276421128 /nfs/dbraw/zinc/42/11/28/1276421128.db2.gz TXYCTNWLRUDXIO-GFCCVEGCSA-N 2 2 372.458 0.858 20 0 FCADLP C[NH+](C)C1(C(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CCC1 ZINC001578966208 1276509168 /nfs/dbraw/zinc/50/91/68/1276509168.db2.gz KYOLHYMHQBWMBG-UHFFFAOYSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578980143 1276540580 /nfs/dbraw/zinc/54/05/80/1276540580.db2.gz BKYLJGQUFYRMLA-ZDUSSCGKSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578980143 1276540582 /nfs/dbraw/zinc/54/05/82/1276540582.db2.gz BKYLJGQUFYRMLA-ZDUSSCGKSA-N 2 2 361.425 0.648 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579097951 1276750496 /nfs/dbraw/zinc/75/04/96/1276750496.db2.gz HEQSXYXQZQNOTJ-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579097951 1276750506 /nfs/dbraw/zinc/75/05/06/1276750506.db2.gz HEQSXYXQZQNOTJ-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001579099369 1276752446 /nfs/dbraw/zinc/75/24/46/1276752446.db2.gz ZHHMPHZGBVXAMT-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001579099369 1276752455 /nfs/dbraw/zinc/75/24/55/1276752455.db2.gz ZHHMPHZGBVXAMT-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579099369 1276752465 /nfs/dbraw/zinc/75/24/65/1276752465.db2.gz ZHHMPHZGBVXAMT-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579099369 1276752475 /nfs/dbraw/zinc/75/24/75/1276752475.db2.gz ZHHMPHZGBVXAMT-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579115427 1276780348 /nfs/dbraw/zinc/78/03/48/1276780348.db2.gz GYGGPHKNHDCBOH-OAHLLOKOSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579115427 1276780357 /nfs/dbraw/zinc/78/03/57/1276780357.db2.gz GYGGPHKNHDCBOH-OAHLLOKOSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001579115828 1276784143 /nfs/dbraw/zinc/78/41/43/1276784143.db2.gz MSNXQSMWCCRHLP-UHFFFAOYSA-N 2 2 358.450 0.642 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCCn1cc[nH+]c1 ZINC001579150355 1276886170 /nfs/dbraw/zinc/88/61/70/1276886170.db2.gz AOYHWCMSWPMHCG-UHFFFAOYSA-N 2 2 369.433 0.833 20 0 FCADLP CN(CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579172126 1276928617 /nfs/dbraw/zinc/92/86/17/1276928617.db2.gz MYARWZSSRLTEBU-GFCCVEGCSA-N 2 2 367.417 0.273 20 0 FCADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579179752 1276944978 /nfs/dbraw/zinc/94/49/78/1276944978.db2.gz LOVHHTCXZBPROY-UHFFFAOYSA-N 2 2 361.425 0.650 20 0 FCADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579179752 1276944987 /nfs/dbraw/zinc/94/49/87/1276944987.db2.gz LOVHHTCXZBPROY-UHFFFAOYSA-N 2 2 361.425 0.650 20 0 FCADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579187072 1276955975 /nfs/dbraw/zinc/95/59/75/1276955975.db2.gz HFJWSLYTXWCYRM-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579187072 1276955977 /nfs/dbraw/zinc/95/59/77/1276955977.db2.gz HFJWSLYTXWCYRM-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579187072 1276955982 /nfs/dbraw/zinc/95/59/82/1276955982.db2.gz HFJWSLYTXWCYRM-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001579187072 1276955989 /nfs/dbraw/zinc/95/59/89/1276955989.db2.gz HFJWSLYTXWCYRM-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP COc1cccc(C[NH+]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCOC4)CC2)c1 ZINC001579277348 1277089132 /nfs/dbraw/zinc/08/91/32/1277089132.db2.gz DCHYRINERIZGOU-FXAWDEMLSA-N 2 2 359.470 0.966 20 0 FCADLP Cc1nc(C)c(C[NH+]2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001713074494 1287264024 /nfs/dbraw/zinc/26/40/24/1287264024.db2.gz WPPYQDKHCKYFIW-NVXWUHKLSA-N 2 2 363.506 0.865 20 0 FCADLP Cc1nc(C)c(C[NH+]2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001713074494 1287264028 /nfs/dbraw/zinc/26/40/28/1287264028.db2.gz WPPYQDKHCKYFIW-NVXWUHKLSA-N 2 2 363.506 0.865 20 0 FCADLP COc1cc[nH+]cc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579319560 1277135658 /nfs/dbraw/zinc/13/56/58/1277135658.db2.gz SMCPZNQHCHZFBG-CQSZACIVSA-N 2 2 354.418 0.668 20 0 FCADLP C[S@](=O)C1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC001579354621 1277217577 /nfs/dbraw/zinc/21/75/77/1277217577.db2.gz LHWUUYFAWNIVDO-MYYSRTQBSA-N 2 2 357.520 0.058 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355552 1277218704 /nfs/dbraw/zinc/21/87/04/1277218704.db2.gz DWHQMHUSINDXAS-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355552 1277218710 /nfs/dbraw/zinc/21/87/10/1277218710.db2.gz DWHQMHUSINDXAS-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355552 1277218716 /nfs/dbraw/zinc/21/87/16/1277218716.db2.gz DWHQMHUSINDXAS-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355552 1277218723 /nfs/dbraw/zinc/21/87/23/1277218723.db2.gz DWHQMHUSINDXAS-JKSUJKDBSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356515 1277219465 /nfs/dbraw/zinc/21/94/65/1277219465.db2.gz LIMUQCXDWUAYRN-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356515 1277219471 /nfs/dbraw/zinc/21/94/71/1277219471.db2.gz LIMUQCXDWUAYRN-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356515 1277219482 /nfs/dbraw/zinc/21/94/82/1277219482.db2.gz LIMUQCXDWUAYRN-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356515 1277219489 /nfs/dbraw/zinc/21/94/89/1277219489.db2.gz LIMUQCXDWUAYRN-AAEUAGOBSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579358736 1277227760 /nfs/dbraw/zinc/22/77/60/1277227760.db2.gz IYTAXJNOZLNCNO-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579358736 1277227761 /nfs/dbraw/zinc/22/77/61/1277227761.db2.gz IYTAXJNOZLNCNO-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359202 1277231117 /nfs/dbraw/zinc/23/11/17/1277231117.db2.gz QALYAJDAIYBHNR-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359202 1277231123 /nfs/dbraw/zinc/23/11/23/1277231123.db2.gz QALYAJDAIYBHNR-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359990 1277233228 /nfs/dbraw/zinc/23/32/28/1277233228.db2.gz GWZFXBRCLWGQIQ-XJKCOSOUSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359990 1277233231 /nfs/dbraw/zinc/23/32/31/1277233231.db2.gz GWZFXBRCLWGQIQ-XJKCOSOUSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579365588 1277244152 /nfs/dbraw/zinc/24/41/52/1277244152.db2.gz IGMHGEUQVUEISV-CQSZACIVSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579365588 1277244153 /nfs/dbraw/zinc/24/41/53/1277244153.db2.gz IGMHGEUQVUEISV-CQSZACIVSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366568 1277247353 /nfs/dbraw/zinc/24/73/53/1277247353.db2.gz YYTISFQTCZMSDY-XEZPLFJOSA-N 2 2 368.445 0.536 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366568 1277247355 /nfs/dbraw/zinc/24/73/55/1277247355.db2.gz YYTISFQTCZMSDY-XEZPLFJOSA-N 2 2 368.445 0.536 20 0 FCADLP Cc1cc(N2CCN(C(=O)CN3C[C@@H](C)[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC001579623644 1277670768 /nfs/dbraw/zinc/67/07/68/1277670768.db2.gz KMDMDMAVKRFLBV-GDBMZVCRSA-N 2 2 360.506 0.836 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001580272631 1278066343 /nfs/dbraw/zinc/06/63/43/1278066343.db2.gz HPSHBOAIYBGNLH-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1C[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001580858474 1279053672 /nfs/dbraw/zinc/05/36/72/1279053672.db2.gz KBTDUKQYEOEHMW-SFHVURJKSA-N 2 2 355.398 0.020 20 0 FCADLP Cc1cc(N(C)CCNC(=O)CCc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580948896 1279154914 /nfs/dbraw/zinc/15/49/14/1279154914.db2.gz FJAOXZFJCMWKTA-UHFFFAOYSA-N 2 2 369.433 0.489 20 0 FCADLP Cc1cc(N2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956343 1279160953 /nfs/dbraw/zinc/16/09/53/1279160953.db2.gz JSIOQEIBERYWLF-CYBMUJFWSA-N 2 2 367.417 0.409 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001580959664 1279163105 /nfs/dbraw/zinc/16/31/05/1279163105.db2.gz YRDDICYHAYHAPT-CYBMUJFWSA-N 2 2 367.417 0.470 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH+]=c1cc(C)[nH]cc1-c1nn[nH]n1 ZINC001580987768 1279185066 /nfs/dbraw/zinc/18/50/66/1279185066.db2.gz DOCHFIFPSREPRV-VXGBXAGGSA-N 2 2 369.433 0.502 20 0 FCADLP Cc1cc(N[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992764 1279196063 /nfs/dbraw/zinc/19/60/63/1279196063.db2.gz AGYIVHSHEPVKAV-AWEZNQCLSA-N 2 2 367.417 0.265 20 0 FCADLP Cc1cc(N[C@@H](C)CNC(=O)CCc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996235 1279206738 /nfs/dbraw/zinc/20/67/38/1279206738.db2.gz YBNGXKZTIFFANX-LBPRGKRZSA-N 2 2 369.433 0.275 20 0 FCADLP Cc1cc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006347 1279224763 /nfs/dbraw/zinc/22/47/63/1279224763.db2.gz PJUWGXVRGRGAOP-JSGCOSHPSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007915 1279229990 /nfs/dbraw/zinc/22/99/90/1279229990.db2.gz DEAAYCPZMZNZFS-HZMBPMFUSA-N 2 2 367.417 0.217 20 0 FCADLP Cc1cc(NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027929 1279263377 /nfs/dbraw/zinc/26/33/77/1279263377.db2.gz YTHICLGJOICFAK-NSHDSACASA-N 2 2 355.406 0.195 20 0 FCADLP Cc1cc(N[C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038904 1279276256 /nfs/dbraw/zinc/27/62/56/1279276256.db2.gz DXYUEPCMUUJACA-JOCQHMNTSA-N 2 2 367.417 0.338 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001715522129 1287353977 /nfs/dbraw/zinc/35/39/77/1287353977.db2.gz VSJGPBYQFRFWQN-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC001715522129 1287353978 /nfs/dbraw/zinc/35/39/78/1287353978.db2.gz VSJGPBYQFRFWQN-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC001715522129 1287353979 /nfs/dbraw/zinc/35/39/79/1287353979.db2.gz VSJGPBYQFRFWQN-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC001715522129 1287353980 /nfs/dbraw/zinc/35/39/80/1287353980.db2.gz VSJGPBYQFRFWQN-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337822 1279715090 /nfs/dbraw/zinc/71/50/90/1279715090.db2.gz KCHHYGVCCAINHH-ZDUSSCGKSA-N 2 2 367.417 0.504 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338468 1279716948 /nfs/dbraw/zinc/71/69/48/1279716948.db2.gz LOPRWKOOIUHYEP-GFCCVEGCSA-N 2 2 354.418 0.666 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581339542 1279719995 /nfs/dbraw/zinc/71/99/95/1279719995.db2.gz GYSUXQUSICMSQD-LLVKDONJSA-N 2 2 372.408 0.805 20 0 FCADLP Cc1ncsc1CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001716936504 1287398176 /nfs/dbraw/zinc/39/81/76/1287398176.db2.gz RNMHRMKODAUKID-ZIAGYGMSSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1ncsc1CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001716936504 1287398180 /nfs/dbraw/zinc/39/81/80/1287398180.db2.gz RNMHRMKODAUKID-ZIAGYGMSSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581563322 1280138891 /nfs/dbraw/zinc/13/88/91/1280138891.db2.gz KXDPRNOENGCZIJ-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581563322 1280138896 /nfs/dbraw/zinc/13/88/96/1280138896.db2.gz KXDPRNOENGCZIJ-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581563679 1280140895 /nfs/dbraw/zinc/14/08/95/1280140895.db2.gz LEZUPQNBWNXLIT-UHFFFAOYSA-N 2 2 367.417 0.292 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530389 1287408488 /nfs/dbraw/zinc/40/84/88/1287408488.db2.gz ZFGHEFYMDQRSED-NEPJUHHUSA-N 2 2 367.417 0.059 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603590051 1287428702 /nfs/dbraw/zinc/42/87/02/1287428702.db2.gz ACDDFJRABBSMEQ-LBPRGKRZSA-N 2 2 361.431 0.515 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581814962 1280562067 /nfs/dbraw/zinc/56/20/67/1280562067.db2.gz MKIKVDBOEVMKDT-LBPRGKRZSA-N 2 2 367.417 0.323 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582050948 1280972118 /nfs/dbraw/zinc/97/21/18/1280972118.db2.gz JEIHSYZBWKLBQJ-BETUJISGSA-N 2 2 367.417 0.420 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582098045 1281053099 /nfs/dbraw/zinc/05/30/99/1281053099.db2.gz ZWGOLMCTKJHIDW-AWEZNQCLSA-N 2 2 370.461 0.572 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582100487 1281056692 /nfs/dbraw/zinc/05/66/92/1281056692.db2.gz IXJXLVZZECPLKD-HNNXBMFYSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582100487 1281056696 /nfs/dbraw/zinc/05/66/96/1281056696.db2.gz IXJXLVZZECPLKD-HNNXBMFYSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582100345 1281056825 /nfs/dbraw/zinc/05/68/25/1281056825.db2.gz HFYZJCFQOUZERJ-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582100345 1281056829 /nfs/dbraw/zinc/05/68/29/1281056829.db2.gz HFYZJCFQOUZERJ-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582100805 1281058423 /nfs/dbraw/zinc/05/84/23/1281058423.db2.gz PBYWTADUVPWUFB-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582100805 1281058427 /nfs/dbraw/zinc/05/84/27/1281058427.db2.gz PBYWTADUVPWUFB-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582100794 1281058540 /nfs/dbraw/zinc/05/85/40/1281058540.db2.gz OQYOJXMFCDYRKO-UONOGXRCSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582170182 1281138324 /nfs/dbraw/zinc/13/83/24/1281138324.db2.gz QAJOQCXJDACCBD-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582183188 1281160293 /nfs/dbraw/zinc/16/02/93/1281160293.db2.gz VNELDJORMZZZHA-HNNXBMFYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582183459 1281162898 /nfs/dbraw/zinc/16/28/98/1281162898.db2.gz URTCEIJTMSMDIT-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582183976 1281164330 /nfs/dbraw/zinc/16/43/30/1281164330.db2.gz RSKWCDHJZTUVJB-OWOJBTEDSA-N 2 2 352.402 0.595 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582194937 1281175091 /nfs/dbraw/zinc/17/50/91/1281175091.db2.gz CSULXDDNZMXUFA-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582195244 1281175494 /nfs/dbraw/zinc/17/54/94/1281175494.db2.gz QIGGDDQQLBQGIR-CYBMUJFWSA-N 2 2 367.417 0.231 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582196329 1281177069 /nfs/dbraw/zinc/17/70/69/1281177069.db2.gz GWNHXWWBSXBQKD-UHFFFAOYSA-N 2 2 367.417 0.420 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582195407 1281177375 /nfs/dbraw/zinc/17/73/75/1281177375.db2.gz YJEKVKOBJDDDQT-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001582196485 1281178185 /nfs/dbraw/zinc/17/81/85/1281178185.db2.gz LSUJJUGFBAMTPR-CYBMUJFWSA-N 2 2 372.458 0.809 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582197029 1281180265 /nfs/dbraw/zinc/18/02/65/1281180265.db2.gz ASQGIBIKWZNQDY-GFCCVEGCSA-N 2 2 353.390 0.243 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001582198185 1281184253 /nfs/dbraw/zinc/18/42/53/1281184253.db2.gz PCRCICGXSRKPPX-QLPKVWCKSA-N 2 2 364.413 0.310 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001582198185 1281184256 /nfs/dbraw/zinc/18/42/56/1281184256.db2.gz PCRCICGXSRKPPX-QLPKVWCKSA-N 2 2 364.413 0.310 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001603922159 1287537948 /nfs/dbraw/zinc/53/79/48/1287537948.db2.gz XMJOBKRZPATGFM-CJNGLKHVSA-N 2 2 366.429 0.700 20 0 FCADLP CC[NH+](CC)CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001632005851 1282148146 /nfs/dbraw/zinc/14/81/46/1282148146.db2.gz SSJWZDSOTYBUBJ-AWEZNQCLSA-N 2 2 356.492 0.618 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC001585744524 1282241753 /nfs/dbraw/zinc/24/17/53/1282241753.db2.gz JQQBHNGKUYANFP-ZDUSSCGKSA-N 2 2 350.419 0.702 20 0 FCADLP COC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC001585744524 1282241761 /nfs/dbraw/zinc/24/17/61/1282241761.db2.gz JQQBHNGKUYANFP-ZDUSSCGKSA-N 2 2 350.419 0.702 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198243 1287586556 /nfs/dbraw/zinc/58/65/56/1287586556.db2.gz BYAUAOPNTZMNIA-OKILXGFUSA-N 2 2 370.461 0.783 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604198243 1287586562 /nfs/dbraw/zinc/58/65/62/1287586562.db2.gz BYAUAOPNTZMNIA-OKILXGFUSA-N 2 2 370.461 0.783 20 0 FCADLP C[C@@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001589814472 1283043238 /nfs/dbraw/zinc/04/32/38/1283043238.db2.gz ODSXMOGFGNVWSO-LBPRGKRZSA-N 2 2 355.406 0.277 20 0 FCADLP C[C@@H](CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001589827911 1283066135 /nfs/dbraw/zinc/06/61/35/1283066135.db2.gz IEPGAJORYXRMTP-LBPRGKRZSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590172498 1283273546 /nfs/dbraw/zinc/27/35/46/1283273546.db2.gz ASVXHGPAKPLSDV-SWLSCSKDSA-N 2 2 366.429 0.912 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001590370013 1283504830 /nfs/dbraw/zinc/50/48/30/1283504830.db2.gz QAIJTORGQXUZTG-DUVNUKRYSA-N 2 2 370.461 0.639 20 0 FCADLP CN(C(=O)NC[C@]1(C)CCC(=O)N1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001681805316 1283510692 /nfs/dbraw/zinc/51/06/92/1283510692.db2.gz YVXCKDOUALFTPA-YJBOKZPZSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@]1(C)CCC(=O)N1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001681805316 1283510700 /nfs/dbraw/zinc/51/07/00/1283510700.db2.gz YVXCKDOUALFTPA-YJBOKZPZSA-N 2 2 351.495 0.465 20 0 FCADLP CCc1nc(-c2nn[nH]n2)cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001604543437 1287652524 /nfs/dbraw/zinc/65/25/24/1287652524.db2.gz ULLFRITUZOIXHZ-AWEZNQCLSA-N 2 2 371.493 0.824 20 0 FCADLP CCc1nc(-c2nn[nH]n2)cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001604543437 1287652529 /nfs/dbraw/zinc/65/25/29/1287652529.db2.gz ULLFRITUZOIXHZ-AWEZNQCLSA-N 2 2 371.493 0.824 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)[NH+](CC)CC ZINC001682576483 1283693632 /nfs/dbraw/zinc/69/36/32/1283693632.db2.gz CJQXSTMNOXVGNR-BZUAXINKSA-N 2 2 365.478 0.069 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1)[NH+](CC)CC ZINC001683305271 1283937538 /nfs/dbraw/zinc/93/75/38/1283937538.db2.gz RKYBKZCYXVRJMC-QLFBSQMISA-N 2 2 365.478 0.415 20 0 FCADLP C[NH+](C)CCOCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591020927 1284076747 /nfs/dbraw/zinc/07/67/47/1284076747.db2.gz OJYGNCDAMYEZCT-UHFFFAOYSA-N 3 2 373.505 0.999 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC001591029209 1284087863 /nfs/dbraw/zinc/08/78/63/1284087863.db2.gz AOWANJOWDUTKRW-UHFFFAOYSA-N 2 2 367.461 0.988 20 0 FCADLP CN(CCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001591079031 1284148872 /nfs/dbraw/zinc/14/88/72/1284148872.db2.gz BYYNOQWYKWDSGN-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CN(CCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cn1cc[nH+]c1 ZINC001591079035 1284149221 /nfs/dbraw/zinc/14/92/21/1284149221.db2.gz CCXOWJUUPJYYSW-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001591180649 1284280286 /nfs/dbraw/zinc/28/02/86/1284280286.db2.gz OGGXKONUCGTWPQ-GOSISDBHSA-N 2 2 368.445 0.423 20 0 FCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001591180649 1284280298 /nfs/dbraw/zinc/28/02/98/1284280298.db2.gz OGGXKONUCGTWPQ-GOSISDBHSA-N 2 2 368.445 0.423 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186998 1284297962 /nfs/dbraw/zinc/29/79/62/1284297962.db2.gz ATXSZPCKPPFXPO-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186998 1284297967 /nfs/dbraw/zinc/29/79/67/1284297967.db2.gz ATXSZPCKPPFXPO-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186998 1284297976 /nfs/dbraw/zinc/29/79/76/1284297976.db2.gz ATXSZPCKPPFXPO-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001591186998 1284297986 /nfs/dbraw/zinc/29/79/86/1284297986.db2.gz ATXSZPCKPPFXPO-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591189183 1284305491 /nfs/dbraw/zinc/30/54/91/1284305491.db2.gz IHDPIDQLRPITOO-BWPKMQGJSA-N 2 2 356.434 0.252 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591189183 1284305495 /nfs/dbraw/zinc/30/54/95/1284305495.db2.gz IHDPIDQLRPITOO-BWPKMQGJSA-N 2 2 356.434 0.252 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1-c1nn[nH]n1 ZINC001591218496 1284354030 /nfs/dbraw/zinc/35/40/30/1284354030.db2.gz QMGPDHSFZKXKQO-LBPRGKRZSA-N 2 2 359.438 0.307 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1-c1nn[nH]n1 ZINC001591218496 1284354036 /nfs/dbraw/zinc/35/40/36/1284354036.db2.gz QMGPDHSFZKXKQO-LBPRGKRZSA-N 2 2 359.438 0.307 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001604697540 1287737299 /nfs/dbraw/zinc/73/72/99/1287737299.db2.gz UFZFJAQJTHAJFK-CVEARBPZSA-N 2 2 357.462 0.886 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001604697540 1287737302 /nfs/dbraw/zinc/73/73/02/1287737302.db2.gz UFZFJAQJTHAJFK-CVEARBPZSA-N 2 2 357.462 0.886 20 0 FCADLP Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1-c1nn[nH]n1 ZINC001591964341 1285030956 /nfs/dbraw/zinc/03/09/56/1285030956.db2.gz XESXDQOAZAUSRB-QGZVFWFLSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1-c1nn[nH]n1 ZINC001591964341 1285030964 /nfs/dbraw/zinc/03/09/64/1285030964.db2.gz XESXDQOAZAUSRB-QGZVFWFLSA-N 2 2 369.473 0.914 20 0 FCADLP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCn1cc[nH+]c1 ZINC001604754864 1287764020 /nfs/dbraw/zinc/76/40/20/1287764020.db2.gz XEZLYVQTXCFRDS-UHFFFAOYSA-N 2 2 355.406 0.231 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592585180 1285509484 /nfs/dbraw/zinc/50/94/84/1285509484.db2.gz SATRNPMAIXMNHY-UHFFFAOYSA-N 2 2 354.418 0.439 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592589762 1285518960 /nfs/dbraw/zinc/51/89/60/1285518960.db2.gz NVKYOQFVQFDCLD-HNNXBMFYSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592589762 1285518972 /nfs/dbraw/zinc/51/89/72/1285518972.db2.gz NVKYOQFVQFDCLD-HNNXBMFYSA-N 2 2 366.429 0.533 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592721429 1285623805 /nfs/dbraw/zinc/62/38/05/1285623805.db2.gz SHGPZJULXZINMR-ZDUSSCGKSA-N 2 2 361.425 0.683 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001592721429 1285623816 /nfs/dbraw/zinc/62/38/16/1285623816.db2.gz SHGPZJULXZINMR-ZDUSSCGKSA-N 2 2 361.425 0.683 20 0 FCADLP [NH3+]C/C=C\CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592743824 1285662237 /nfs/dbraw/zinc/66/22/37/1285662237.db2.gz DXTQSTDFQNDCTA-UPHRSURJSA-N 2 2 356.434 0.209 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N(CC[NH+](C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001609268035 1289031880 /nfs/dbraw/zinc/03/18/80/1289031880.db2.gz GJJHMAYBAQIODM-UHFFFAOYSA-N 2 2 368.445 0.733 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001704305145 1286220195 /nfs/dbraw/zinc/22/01/95/1286220195.db2.gz OYTKFNYOVCOFAC-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001704305145 1286220203 /nfs/dbraw/zinc/22/02/03/1286220203.db2.gz OYTKFNYOVCOFAC-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001704584660 1286268863 /nfs/dbraw/zinc/26/88/63/1286268863.db2.gz VNHVTIQXRSYLBM-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001704584660 1286268869 /nfs/dbraw/zinc/26/88/69/1286268869.db2.gz VNHVTIQXRSYLBM-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP Cc1cc(N[C@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605721918 1288061872 /nfs/dbraw/zinc/06/18/72/1288061872.db2.gz WMTVJRZKRFJKON-CYBMUJFWSA-N 2 2 369.433 0.538 20 0 FCADLP CCN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721153192 1288302002 /nfs/dbraw/zinc/30/20/02/1288302002.db2.gz FRVKVFGVNCFKRV-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CCN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001721153192 1288302010 /nfs/dbraw/zinc/30/20/10/1288302010.db2.gz FRVKVFGVNCFKRV-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606539596 1288371885 /nfs/dbraw/zinc/37/18/85/1288371885.db2.gz SVISGKVCYZIJAC-CYBMUJFWSA-N 2 2 367.417 0.491 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001691904653 1289337974 /nfs/dbraw/zinc/33/79/74/1289337974.db2.gz ZNLDZTYVKVLVRY-UONOGXRCSA-N 2 2 360.418 0.774 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001691935434 1289345765 /nfs/dbraw/zinc/34/57/65/1289345765.db2.gz FPDLDMFZGMPOPA-HZPDHXFCSA-N 2 2 350.438 0.537 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1cccc(F)c1 ZINC001691935434 1289345777 /nfs/dbraw/zinc/34/57/77/1289345777.db2.gz FPDLDMFZGMPOPA-HZPDHXFCSA-N 2 2 350.438 0.537 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001692027976 1289371216 /nfs/dbraw/zinc/37/12/16/1289371216.db2.gz MBBDSUXHXYGLKL-BFYDXBDKSA-N 2 2 364.490 0.596 20 0 FCADLP COCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692043109 1289375482 /nfs/dbraw/zinc/37/54/82/1289375482.db2.gz LEZNIIZJNKLCHB-ARFHVFGLSA-N 2 2 350.463 0.455 20 0 FCADLP COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692043109 1289375491 /nfs/dbraw/zinc/37/54/91/1289375491.db2.gz LEZNIIZJNKLCHB-ARFHVFGLSA-N 2 2 350.463 0.455 20 0 FCADLP C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001692703698 1289462544 /nfs/dbraw/zinc/46/25/44/1289462544.db2.gz RCDVVJYLDJUKFQ-HNNXBMFYSA-N 2 2 361.494 0.992 20 0 FCADLP COc1nscc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699067510 1289545423 /nfs/dbraw/zinc/54/54/23/1289545423.db2.gz VBXQHNWSCCBCKT-YNEHKIRRSA-N 2 2 365.459 0.256 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)on1 ZINC001699372839 1289553496 /nfs/dbraw/zinc/55/34/96/1289553496.db2.gz ZWYHLSGJOIYDRJ-INMHGKMJSA-N 2 2 366.462 0.457 20 0 FCADLP Cn1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC001620787861 1290021573 /nfs/dbraw/zinc/02/15/73/1290021573.db2.gz NCLQZVHPRZBYJN-IBGZPJMESA-N 2 2 370.501 0.978 20 0 FCADLP C[N@H+](CCn1cncn1)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001752507429 1290613735 /nfs/dbraw/zinc/61/37/35/1290613735.db2.gz CYZAHHSPGCABJT-BZUAXINKSA-N 2 2 357.462 0.975 20 0 FCADLP C[N@@H+](CCn1cncn1)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001752507429 1290613743 /nfs/dbraw/zinc/61/37/43/1290613743.db2.gz CYZAHHSPGCABJT-BZUAXINKSA-N 2 2 357.462 0.975 20 0 FCADLP C[N@H+](CCn1cncn1)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001752507429 1290613752 /nfs/dbraw/zinc/61/37/52/1290613752.db2.gz CYZAHHSPGCABJT-BZUAXINKSA-N 2 2 357.462 0.975 20 0 FCADLP C[N@@H+](CCn1cncn1)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001752507429 1290613761 /nfs/dbraw/zinc/61/37/61/1290613761.db2.gz CYZAHHSPGCABJT-BZUAXINKSA-N 2 2 357.462 0.975 20 0 FCADLP C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953834 1290998408 /nfs/dbraw/zinc/99/84/08/1290998408.db2.gz XLGOJOISIZVAIJ-HZSPNIEDSA-N 2 2 360.466 0.874 20 0 FCADLP C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953834 1290998413 /nfs/dbraw/zinc/99/84/13/1290998413.db2.gz XLGOJOISIZVAIJ-HZSPNIEDSA-N 2 2 360.466 0.874 20 0 FCADLP COC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693128 1291041170 /nfs/dbraw/zinc/04/11/70/1291041170.db2.gz NGGCFOYZELLIKA-APWZRJJASA-N 2 2 362.474 0.450 20 0 FCADLP COC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693128 1291041180 /nfs/dbraw/zinc/04/11/80/1291041180.db2.gz NGGCFOYZELLIKA-APWZRJJASA-N 2 2 362.474 0.450 20 0 FCADLP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001654558545 1291418122 /nfs/dbraw/zinc/41/81/22/1291418122.db2.gz QFDMMJZSFVNDSW-NVXWUHKLSA-N 2 2 352.504 0.731 20 0 FCADLP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001654558545 1291418130 /nfs/dbraw/zinc/41/81/30/1291418130.db2.gz QFDMMJZSFVNDSW-NVXWUHKLSA-N 2 2 352.504 0.731 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001656842867 1291566157 /nfs/dbraw/zinc/56/61/57/1291566157.db2.gz KCFGWKJABXHCFD-CVEARBPZSA-N 2 2 359.474 0.567 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001656842867 1291566161 /nfs/dbraw/zinc/56/61/61/1291566161.db2.gz KCFGWKJABXHCFD-CVEARBPZSA-N 2 2 359.474 0.567 20 0 FCADLP CN(CC[N@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001667627395 1291942468 /nfs/dbraw/zinc/94/24/68/1291942468.db2.gz RWOOVUDIUZFXLM-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CN(CC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001667627395 1291942474 /nfs/dbraw/zinc/94/24/74/1291942474.db2.gz RWOOVUDIUZFXLM-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CCc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cs1 ZINC001667893351 1291949050 /nfs/dbraw/zinc/94/90/50/1291949050.db2.gz HKNOINDLKJBIEJ-BFHYXJOUSA-N 2 2 363.487 0.809 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)[C@H]3CCOC3)CC2)CC1 ZINC001676422621 1292202722 /nfs/dbraw/zinc/20/27/22/1292202722.db2.gz XRHKYKIBYUXODQ-WMLDXEAASA-N 2 2 354.495 0.242 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678369877 1292264069 /nfs/dbraw/zinc/26/40/69/1292264069.db2.gz HYBREBXNUVEYEC-HNNXBMFYSA-N 2 2 360.524 0.231 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678369877 1292264075 /nfs/dbraw/zinc/26/40/75/1292264075.db2.gz HYBREBXNUVEYEC-HNNXBMFYSA-N 2 2 360.524 0.231 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1cnnn1C ZINC001689190078 1294658732 /nfs/dbraw/zinc/65/87/32/1294658732.db2.gz ZZYCSWGLMFFVEI-JKSUJKDBSA-N 2 2 350.467 0.007 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1cnnn1C ZINC001689190078 1294658742 /nfs/dbraw/zinc/65/87/42/1294658742.db2.gz ZZYCSWGLMFFVEI-JKSUJKDBSA-N 2 2 350.467 0.007 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001689231440 1294688147 /nfs/dbraw/zinc/68/81/47/1294688147.db2.gz FOFMLYQXRDRRGE-CVEARBPZSA-N 2 2 361.490 0.923 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001689231440 1294688153 /nfs/dbraw/zinc/68/81/53/1294688153.db2.gz FOFMLYQXRDRRGE-CVEARBPZSA-N 2 2 361.490 0.923 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001689323604 1294748954 /nfs/dbraw/zinc/74/89/54/1294748954.db2.gz PZADZPPDXLOYHP-SJORKVTESA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001689323604 1294748965 /nfs/dbraw/zinc/74/89/65/1294748965.db2.gz PZADZPPDXLOYHP-SJORKVTESA-N 2 2 368.522 0.593 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001689336387 1294760446 /nfs/dbraw/zinc/76/04/46/1294760446.db2.gz MBCBDJQDCPDJED-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001689336387 1294760457 /nfs/dbraw/zinc/76/04/57/1294760457.db2.gz MBCBDJQDCPDJED-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653496 1294901631 /nfs/dbraw/zinc/90/16/31/1294901631.db2.gz FVSMQFJQQHCQFZ-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653496 1294901642 /nfs/dbraw/zinc/90/16/42/1294901642.db2.gz FVSMQFJQQHCQFZ-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653496 1294901652 /nfs/dbraw/zinc/90/16/52/1294901652.db2.gz FVSMQFJQQHCQFZ-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653496 1294901660 /nfs/dbraw/zinc/90/16/60/1294901660.db2.gz FVSMQFJQQHCQFZ-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001691820805 1294928794 /nfs/dbraw/zinc/92/87/94/1294928794.db2.gz VIXKAILSVIUYEN-LVQVYYBASA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001691820805 1294928800 /nfs/dbraw/zinc/92/88/00/1294928800.db2.gz VIXKAILSVIUYEN-LVQVYYBASA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001691820805 1294928804 /nfs/dbraw/zinc/92/88/04/1294928804.db2.gz VIXKAILSVIUYEN-LVQVYYBASA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC(C)(C)C)CC[NH+]1C ZINC001691820805 1294928813 /nfs/dbraw/zinc/92/88/13/1294928813.db2.gz VIXKAILSVIUYEN-LVQVYYBASA-N 2 2 350.507 0.917 20 0 FCADLP C[NH+]1CCN(c2nccc(N3CC[NH+](CCc4ccccn4)CC3)n2)CC1 ZINC001165056065 722018796 /nfs/dbraw/zinc/01/87/96/722018796.db2.gz VGOJZBIKMZQQDS-UHFFFAOYSA-N 2 2 367.501 0.988 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015143 837597245 /nfs/dbraw/zinc/59/72/45/837597245.db2.gz HHVMLBZPKDWOPE-XHSDSOJGSA-N 2 2 352.458 0.710 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015143 837597253 /nfs/dbraw/zinc/59/72/53/837597253.db2.gz HHVMLBZPKDWOPE-XHSDSOJGSA-N 2 2 352.458 0.710 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070241503 837637338 /nfs/dbraw/zinc/63/73/38/837637338.db2.gz JKSYOQRDQICWKE-OWCLPIDISA-N 2 2 350.467 0.140 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070241503 837637340 /nfs/dbraw/zinc/63/73/40/837637340.db2.gz JKSYOQRDQICWKE-OWCLPIDISA-N 2 2 350.467 0.140 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001070284660 837643429 /nfs/dbraw/zinc/64/34/29/837643429.db2.gz OBQKKCNPHIRVLZ-KGLIPLIRSA-N 2 2 358.431 0.242 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001099341351 844032620 /nfs/dbraw/zinc/03/26/20/844032620.db2.gz AQHCEILUSNRYHU-MVWJERBFSA-N 2 2 363.409 0.969 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001099341351 844032629 /nfs/dbraw/zinc/03/26/29/844032629.db2.gz AQHCEILUSNRYHU-MVWJERBFSA-N 2 2 363.409 0.969 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnsn3)C2)C1 ZINC001099403370 844043027 /nfs/dbraw/zinc/04/30/27/844043027.db2.gz KNHAWQVYAIGEIC-LXZKKBNFSA-N 2 2 365.503 0.587 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3cnsn3)C2)C1 ZINC001099403370 844043036 /nfs/dbraw/zinc/04/30/36/844043036.db2.gz KNHAWQVYAIGEIC-LXZKKBNFSA-N 2 2 365.503 0.587 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000747469672 836244732 /nfs/dbraw/zinc/24/47/32/836244732.db2.gz HUMUENCRQSJNQK-PBHICJAKSA-N 2 2 356.467 0.334 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000747469672 836244742 /nfs/dbraw/zinc/24/47/42/836244742.db2.gz HUMUENCRQSJNQK-PBHICJAKSA-N 2 2 356.467 0.334 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@H]3CCCO3)C2)CC1 ZINC000884164011 836553898 /nfs/dbraw/zinc/55/38/98/836553898.db2.gz VNKAXBVVVWQYRX-YQQAZPJKSA-N 2 2 354.495 0.384 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)C[C@H]3CCCO3)C2)CC1 ZINC000884164011 836553908 /nfs/dbraw/zinc/55/39/08/836553908.db2.gz VNKAXBVVVWQYRX-YQQAZPJKSA-N 2 2 354.495 0.384 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644080 837876236 /nfs/dbraw/zinc/87/62/36/837876236.db2.gz VPUVSEDRASCHEX-IMJJTQAJSA-N 2 2 367.881 0.400 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644080 837876245 /nfs/dbraw/zinc/87/62/45/837876245.db2.gz VPUVSEDRASCHEX-IMJJTQAJSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644080 837876253 /nfs/dbraw/zinc/87/62/53/837876253.db2.gz VPUVSEDRASCHEX-IMJJTQAJSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644080 837876258 /nfs/dbraw/zinc/87/62/58/837876258.db2.gz VPUVSEDRASCHEX-IMJJTQAJSA-N 2 2 367.881 0.400 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644081 837876349 /nfs/dbraw/zinc/87/63/49/837876349.db2.gz VPUVSEDRASCHEX-NUEKZKHPSA-N 2 2 367.881 0.400 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644081 837876355 /nfs/dbraw/zinc/87/63/55/837876355.db2.gz VPUVSEDRASCHEX-NUEKZKHPSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644081 837876359 /nfs/dbraw/zinc/87/63/59/837876359.db2.gz VPUVSEDRASCHEX-NUEKZKHPSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)C1 ZINC001075644081 837876365 /nfs/dbraw/zinc/87/63/65/837876365.db2.gz VPUVSEDRASCHEX-NUEKZKHPSA-N 2 2 367.881 0.400 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805998 838113830 /nfs/dbraw/zinc/11/38/30/838113830.db2.gz ZIGSPODPOZPLKW-FGTMMUONSA-N 2 2 353.507 0.981 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805998 838113837 /nfs/dbraw/zinc/11/38/37/838113837.db2.gz ZIGSPODPOZPLKW-FGTMMUONSA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805998 838113842 /nfs/dbraw/zinc/11/38/42/838113842.db2.gz ZIGSPODPOZPLKW-FGTMMUONSA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805998 838113849 /nfs/dbraw/zinc/11/38/49/838113849.db2.gz ZIGSPODPOZPLKW-FGTMMUONSA-N 2 2 353.507 0.981 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077002816 838207053 /nfs/dbraw/zinc/20/70/53/838207053.db2.gz IKBPSYOUJKFFSZ-ARFHVFGLSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001077002816 838207059 /nfs/dbraw/zinc/20/70/59/838207059.db2.gz IKBPSYOUJKFFSZ-ARFHVFGLSA-N 2 2 350.488 0.455 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236954 838840948 /nfs/dbraw/zinc/84/09/48/838840948.db2.gz UJXUFIQUJFWEPV-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236954 838840951 /nfs/dbraw/zinc/84/09/51/838840951.db2.gz UJXUFIQUJFWEPV-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077236954 838840953 /nfs/dbraw/zinc/84/09/53/838840953.db2.gz UJXUFIQUJFWEPV-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077236954 838840958 /nfs/dbraw/zinc/84/09/58/838840958.db2.gz UJXUFIQUJFWEPV-BZUAXINKSA-N 2 2 350.463 0.691 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2O)no1 ZINC001077275270 838867282 /nfs/dbraw/zinc/86/72/82/838867282.db2.gz YWDPHVBGUVMLTG-HZPDHXFCSA-N 2 2 350.463 0.947 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)no1 ZINC001077275270 838867288 /nfs/dbraw/zinc/86/72/88/838867288.db2.gz YWDPHVBGUVMLTG-HZPDHXFCSA-N 2 2 350.463 0.947 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554115 839029661 /nfs/dbraw/zinc/02/96/61/839029661.db2.gz YWZBVRNXOWWLMB-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554115 839029669 /nfs/dbraw/zinc/02/96/69/839029669.db2.gz YWZBVRNXOWWLMB-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554115 839029679 /nfs/dbraw/zinc/02/96/79/839029679.db2.gz YWZBVRNXOWWLMB-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2O)C1 ZINC001077554115 839029684 /nfs/dbraw/zinc/02/96/84/839029684.db2.gz YWZBVRNXOWWLMB-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679324 839107611 /nfs/dbraw/zinc/10/76/11/839107611.db2.gz OOFSJQPSLYTYDH-DAXOMENPSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679324 839107614 /nfs/dbraw/zinc/10/76/14/839107614.db2.gz OOFSJQPSLYTYDH-DAXOMENPSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679324 839107620 /nfs/dbraw/zinc/10/76/20/839107620.db2.gz OOFSJQPSLYTYDH-DAXOMENPSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679324 839107625 /nfs/dbraw/zinc/10/76/25/839107625.db2.gz OOFSJQPSLYTYDH-DAXOMENPSA-N 2 2 350.463 0.549 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085045 844407907 /nfs/dbraw/zinc/40/79/07/844407907.db2.gz WOEKOVPDYXIBNL-FVQBIDKESA-N 2 2 351.447 0.324 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085045 844407910 /nfs/dbraw/zinc/40/79/10/844407910.db2.gz WOEKOVPDYXIBNL-FVQBIDKESA-N 2 2 351.447 0.324 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102080182 844408031 /nfs/dbraw/zinc/40/80/31/844408031.db2.gz UWNRSXKQMAVWGA-BMFZPTHFSA-N 2 2 352.479 0.618 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102080182 844408034 /nfs/dbraw/zinc/40/80/34/844408034.db2.gz UWNRSXKQMAVWGA-BMFZPTHFSA-N 2 2 352.479 0.618 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102087027 844408690 /nfs/dbraw/zinc/40/86/90/844408690.db2.gz IOEHMLSVBMETKO-MGPQQGTHSA-N 2 2 352.483 0.660 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102087027 844408695 /nfs/dbraw/zinc/40/86/95/844408695.db2.gz IOEHMLSVBMETKO-MGPQQGTHSA-N 2 2 352.483 0.660 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405328 839458029 /nfs/dbraw/zinc/45/80/29/839458029.db2.gz KPHSUSLNQPUUCW-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405328 839458034 /nfs/dbraw/zinc/45/80/34/839458034.db2.gz KPHSUSLNQPUUCW-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP CC(C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231270 839496515 /nfs/dbraw/zinc/49/65/15/839496515.db2.gz BCZLSYBLUCKVHF-BBWFWOEESA-N 2 2 351.491 0.665 20 0 FCADLP CC(C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231270 839496517 /nfs/dbraw/zinc/49/65/17/839496517.db2.gz BCZLSYBLUCKVHF-BBWFWOEESA-N 2 2 351.491 0.665 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526358 839541324 /nfs/dbraw/zinc/54/13/24/839541324.db2.gz LIPSTQPRRZMKHP-BPLDGKMQSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526358 839541334 /nfs/dbraw/zinc/54/13/34/839541334.db2.gz LIPSTQPRRZMKHP-BPLDGKMQSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079526358 839541341 /nfs/dbraw/zinc/54/13/41/839541341.db2.gz LIPSTQPRRZMKHP-BPLDGKMQSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079526358 839541348 /nfs/dbraw/zinc/54/13/48/839541348.db2.gz LIPSTQPRRZMKHP-BPLDGKMQSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951515 839629854 /nfs/dbraw/zinc/62/98/54/839629854.db2.gz QYBRBSBLKJQKHL-HBJVGIJOSA-N 2 2 353.492 0.502 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951515 839629860 /nfs/dbraw/zinc/62/98/60/839629860.db2.gz QYBRBSBLKJQKHL-HBJVGIJOSA-N 2 2 353.492 0.502 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951515 839629864 /nfs/dbraw/zinc/62/98/64/839629864.db2.gz QYBRBSBLKJQKHL-HBJVGIJOSA-N 2 2 353.492 0.502 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951515 839629869 /nfs/dbraw/zinc/62/98/69/839629869.db2.gz QYBRBSBLKJQKHL-HBJVGIJOSA-N 2 2 353.492 0.502 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443110 839724995 /nfs/dbraw/zinc/72/49/95/839724995.db2.gz ZYDIUDNTAHWPIE-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443110 839724999 /nfs/dbraw/zinc/72/49/99/839724999.db2.gz ZYDIUDNTAHWPIE-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080443110 839725001 /nfs/dbraw/zinc/72/50/01/839725001.db2.gz ZYDIUDNTAHWPIE-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080443110 839725005 /nfs/dbraw/zinc/72/50/05/839725005.db2.gz ZYDIUDNTAHWPIE-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782340 839798564 /nfs/dbraw/zinc/79/85/64/839798564.db2.gz GYWJQBWEBLONLV-IUODEOHRSA-N 2 2 350.854 0.949 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782340 839798576 /nfs/dbraw/zinc/79/85/76/839798576.db2.gz GYWJQBWEBLONLV-IUODEOHRSA-N 2 2 350.854 0.949 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782596 839799438 /nfs/dbraw/zinc/79/94/38/839799438.db2.gz SFVGPVCIIQCUID-IUODEOHRSA-N 2 2 363.487 0.631 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782596 839799441 /nfs/dbraw/zinc/79/94/41/839799441.db2.gz SFVGPVCIIQCUID-IUODEOHRSA-N 2 2 363.487 0.631 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445818 839932272 /nfs/dbraw/zinc/93/22/72/839932272.db2.gz CEWRPMJEYOGPHS-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445818 839932276 /nfs/dbraw/zinc/93/22/76/839932276.db2.gz CEWRPMJEYOGPHS-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081445818 839932280 /nfs/dbraw/zinc/93/22/80/839932280.db2.gz CEWRPMJEYOGPHS-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081445818 839932285 /nfs/dbraw/zinc/93/22/85/839932285.db2.gz CEWRPMJEYOGPHS-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001102419441 844491581 /nfs/dbraw/zinc/49/15/81/844491581.db2.gz FQUKXMCVOCVEMI-IAGOWNOFSA-N 2 2 353.507 0.698 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001102419441 844491588 /nfs/dbraw/zinc/49/15/88/844491588.db2.gz FQUKXMCVOCVEMI-IAGOWNOFSA-N 2 2 353.507 0.698 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699556 840003771 /nfs/dbraw/zinc/00/37/71/840003771.db2.gz CSPSFACODXNWAU-BZUAXINKSA-N 2 2 351.451 0.252 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699556 840003779 /nfs/dbraw/zinc/00/37/79/840003779.db2.gz CSPSFACODXNWAU-BZUAXINKSA-N 2 2 351.451 0.252 20 0 FCADLP COCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699556 840003790 /nfs/dbraw/zinc/00/37/90/840003790.db2.gz CSPSFACODXNWAU-BZUAXINKSA-N 2 2 351.451 0.252 20 0 FCADLP COCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699556 840003798 /nfs/dbraw/zinc/00/37/98/840003798.db2.gz CSPSFACODXNWAU-BZUAXINKSA-N 2 2 351.451 0.252 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102467013 844509639 /nfs/dbraw/zinc/50/96/39/844509639.db2.gz DAVICQGDWUZMEL-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102467013 844509651 /nfs/dbraw/zinc/50/96/51/844509651.db2.gz DAVICQGDWUZMEL-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468722 844509845 /nfs/dbraw/zinc/50/98/45/844509845.db2.gz WVAYLFXBRREXDM-ZIAGYGMSSA-N 2 2 353.492 0.445 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468722 844509852 /nfs/dbraw/zinc/50/98/52/844509852.db2.gz WVAYLFXBRREXDM-ZIAGYGMSSA-N 2 2 353.492 0.445 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102473840 844515963 /nfs/dbraw/zinc/51/59/63/844515963.db2.gz SQYNBVYDOAUVCN-ZIAGYGMSSA-N 2 2 352.483 0.662 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102473840 844515969 /nfs/dbraw/zinc/51/59/69/844515969.db2.gz SQYNBVYDOAUVCN-ZIAGYGMSSA-N 2 2 352.483 0.662 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326527 840310132 /nfs/dbraw/zinc/31/01/32/840310132.db2.gz IBPYOVUDQYINAH-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326527 840310143 /nfs/dbraw/zinc/31/01/43/840310143.db2.gz IBPYOVUDQYINAH-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326527 840310163 /nfs/dbraw/zinc/31/01/63/840310163.db2.gz IBPYOVUDQYINAH-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326527 840310177 /nfs/dbraw/zinc/31/01/77/840310177.db2.gz IBPYOVUDQYINAH-FVQBIDKESA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328704 840313432 /nfs/dbraw/zinc/31/34/32/840313432.db2.gz HENZDRWKKJAABT-HUUCEWRRSA-N 2 2 367.881 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328704 840313447 /nfs/dbraw/zinc/31/34/47/840313447.db2.gz HENZDRWKKJAABT-HUUCEWRRSA-N 2 2 367.881 0.448 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370894 840357984 /nfs/dbraw/zinc/35/79/84/840357984.db2.gz HSJHSDWOFQLDEP-IAGOWNOFSA-N 2 2 350.463 0.957 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370894 840357990 /nfs/dbraw/zinc/35/79/90/840357990.db2.gz HSJHSDWOFQLDEP-IAGOWNOFSA-N 2 2 350.463 0.957 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379104 840369337 /nfs/dbraw/zinc/36/93/37/840369337.db2.gz JMEOXGAYVNMMNF-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379104 840369347 /nfs/dbraw/zinc/36/93/47/840369347.db2.gz JMEOXGAYVNMMNF-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379104 840369353 /nfs/dbraw/zinc/36/93/53/840369353.db2.gz JMEOXGAYVNMMNF-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379104 840369360 /nfs/dbraw/zinc/36/93/60/840369360.db2.gz JMEOXGAYVNMMNF-BZUAXINKSA-N 2 2 368.503 0.222 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1nccs1 ZINC001082558207 840464584 /nfs/dbraw/zinc/46/45/84/840464584.db2.gz FBBYSRBNYKAOTN-RBSFLKMASA-N 2 2 362.503 0.907 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082590156 840477607 /nfs/dbraw/zinc/47/76/07/840477607.db2.gz FZYFKIQGNIEAMG-AAVRWANBSA-N 2 2 369.897 0.729 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082590156 840477610 /nfs/dbraw/zinc/47/76/10/840477610.db2.gz FZYFKIQGNIEAMG-AAVRWANBSA-N 2 2 369.897 0.729 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513241 844544967 /nfs/dbraw/zinc/54/49/67/844544967.db2.gz BAZGAIPOGOYYBQ-YRGRVCCFSA-N 2 2 362.396 0.960 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513241 844544968 /nfs/dbraw/zinc/54/49/68/844544968.db2.gz BAZGAIPOGOYYBQ-YRGRVCCFSA-N 2 2 362.396 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082673623 840520311 /nfs/dbraw/zinc/52/03/11/840520311.db2.gz BWTRAAZQLKSMGK-RBSFLKMASA-N 2 2 354.476 0.144 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082742103 840542291 /nfs/dbraw/zinc/54/22/91/840542291.db2.gz REOLWJPUYZVMHP-BFHYXJOUSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082742103 840542297 /nfs/dbraw/zinc/54/22/97/840542297.db2.gz REOLWJPUYZVMHP-BFHYXJOUSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082827847 840576278 /nfs/dbraw/zinc/57/62/78/840576278.db2.gz DVNMWURMLMDXIU-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)s1 ZINC001082923408 840603915 /nfs/dbraw/zinc/60/39/15/840603915.db2.gz IUZBOYQEZYAZEV-UMVBOHGHSA-N 2 2 367.519 0.751 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001082934023 840613325 /nfs/dbraw/zinc/61/33/25/840613325.db2.gz UWXFGPWQMXCHKZ-BNOWGMLFSA-N 2 2 353.492 0.504 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001082934023 840613328 /nfs/dbraw/zinc/61/33/28/840613328.db2.gz UWXFGPWQMXCHKZ-BNOWGMLFSA-N 2 2 353.492 0.504 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C/C=C/Cl)C[C@@H]32)cn1 ZINC001083221063 840808290 /nfs/dbraw/zinc/80/82/90/840808290.db2.gz JEQALAZZZYDBKG-MEGKRXCUSA-N 2 2 367.881 0.722 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](C/C=C/Cl)C[C@@H]32)cn1 ZINC001083221063 840808295 /nfs/dbraw/zinc/80/82/95/840808295.db2.gz JEQALAZZZYDBKG-MEGKRXCUSA-N 2 2 367.881 0.722 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248090 840832197 /nfs/dbraw/zinc/83/21/97/840832197.db2.gz RFWUYNMGRZODSD-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248090 840832209 /nfs/dbraw/zinc/83/22/09/840832209.db2.gz RFWUYNMGRZODSD-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248090 840832212 /nfs/dbraw/zinc/83/22/12/840832212.db2.gz RFWUYNMGRZODSD-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248090 840832223 /nfs/dbraw/zinc/83/22/23/840832223.db2.gz RFWUYNMGRZODSD-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275317 840857656 /nfs/dbraw/zinc/85/76/56/840857656.db2.gz YBUKMZWJPWDWKT-CWRNSKLLSA-N 2 2 367.881 0.400 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275317 840857671 /nfs/dbraw/zinc/85/76/71/840857671.db2.gz YBUKMZWJPWDWKT-CWRNSKLLSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275317 840857683 /nfs/dbraw/zinc/85/76/83/840857683.db2.gz YBUKMZWJPWDWKT-CWRNSKLLSA-N 2 2 367.881 0.400 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@@H]32)C1 ZINC001083275317 840857695 /nfs/dbraw/zinc/85/76/95/840857695.db2.gz YBUKMZWJPWDWKT-CWRNSKLLSA-N 2 2 367.881 0.400 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102601411 844591694 /nfs/dbraw/zinc/59/16/94/844591694.db2.gz BXKBALXVQPGVJY-CHWSQXEVSA-N 2 2 368.507 0.501 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102601411 844591696 /nfs/dbraw/zinc/59/16/96/844591696.db2.gz BXKBALXVQPGVJY-CHWSQXEVSA-N 2 2 368.507 0.501 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102601411 844591700 /nfs/dbraw/zinc/59/17/00/844591700.db2.gz BXKBALXVQPGVJY-CHWSQXEVSA-N 2 2 368.507 0.501 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102601411 844591704 /nfs/dbraw/zinc/59/17/04/844591704.db2.gz BXKBALXVQPGVJY-CHWSQXEVSA-N 2 2 368.507 0.501 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615956 844604007 /nfs/dbraw/zinc/60/40/07/844604007.db2.gz ZGFYUEQEDYSTSS-HZPDHXFCSA-N 2 2 370.519 0.781 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615956 844604010 /nfs/dbraw/zinc/60/40/10/844604010.db2.gz ZGFYUEQEDYSTSS-HZPDHXFCSA-N 2 2 370.519 0.781 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522198 841119415 /nfs/dbraw/zinc/11/94/15/841119415.db2.gz XBZOKYJGQLULNA-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522198 841119421 /nfs/dbraw/zinc/11/94/21/841119421.db2.gz XBZOKYJGQLULNA-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522198 841119425 /nfs/dbraw/zinc/11/94/25/841119425.db2.gz XBZOKYJGQLULNA-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)on1 ZINC001083522198 841119431 /nfs/dbraw/zinc/11/94/31/841119431.db2.gz XBZOKYJGQLULNA-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524455 841124662 /nfs/dbraw/zinc/12/46/62/841124662.db2.gz VJXWHYVSBDRXTM-XHSDSOJGSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524455 841124667 /nfs/dbraw/zinc/12/46/67/841124667.db2.gz VJXWHYVSBDRXTM-XHSDSOJGSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524455 841124674 /nfs/dbraw/zinc/12/46/74/841124674.db2.gz VJXWHYVSBDRXTM-XHSDSOJGSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524455 841124681 /nfs/dbraw/zinc/12/46/81/841124681.db2.gz VJXWHYVSBDRXTM-XHSDSOJGSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)s1 ZINC001083565546 841177223 /nfs/dbraw/zinc/17/72/23/841177223.db2.gz YWNOPTUDQFENNY-KLWIRTJPSA-N 2 2 367.515 0.745 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)s1 ZINC001083565546 841177229 /nfs/dbraw/zinc/17/72/29/841177229.db2.gz YWNOPTUDQFENNY-KLWIRTJPSA-N 2 2 367.515 0.745 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)s1 ZINC001083565546 841177236 /nfs/dbraw/zinc/17/72/36/841177236.db2.gz YWNOPTUDQFENNY-KLWIRTJPSA-N 2 2 367.515 0.745 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c(C)s1 ZINC001083565546 841177244 /nfs/dbraw/zinc/17/72/44/841177244.db2.gz YWNOPTUDQFENNY-KLWIRTJPSA-N 2 2 367.515 0.745 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)cs1 ZINC001083573479 841187465 /nfs/dbraw/zinc/18/74/65/841187465.db2.gz KLNSXIPFGMPMCG-OAGGEKHMSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)cs1 ZINC001083573479 841187471 /nfs/dbraw/zinc/18/74/71/841187471.db2.gz KLNSXIPFGMPMCG-OAGGEKHMSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)cs1 ZINC001083573479 841187474 /nfs/dbraw/zinc/18/74/74/841187474.db2.gz KLNSXIPFGMPMCG-OAGGEKHMSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)cs1 ZINC001083573479 841187479 /nfs/dbraw/zinc/18/74/79/841187479.db2.gz KLNSXIPFGMPMCG-OAGGEKHMSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)s1 ZINC001083668617 841293451 /nfs/dbraw/zinc/29/34/51/841293451.db2.gz XYVUYADZETUSGS-IKGGRYGDSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)s1 ZINC001083668617 841293461 /nfs/dbraw/zinc/29/34/61/841293461.db2.gz XYVUYADZETUSGS-IKGGRYGDSA-N 2 2 364.515 0.987 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719199 841351956 /nfs/dbraw/zinc/35/19/56/841351956.db2.gz TYSXGMFOXVIFKN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719199 841351968 /nfs/dbraw/zinc/35/19/68/841351968.db2.gz TYSXGMFOXVIFKN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719199 841351970 /nfs/dbraw/zinc/35/19/70/841351970.db2.gz TYSXGMFOXVIFKN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)C1 ZINC001083719199 841351985 /nfs/dbraw/zinc/35/19/85/841351985.db2.gz TYSXGMFOXVIFKN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719831 841354306 /nfs/dbraw/zinc/35/43/06/841354306.db2.gz YNLJLRNNOAOMLN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719831 841354315 /nfs/dbraw/zinc/35/43/15/841354315.db2.gz YNLJLRNNOAOMLN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719831 841354324 /nfs/dbraw/zinc/35/43/24/841354324.db2.gz YNLJLRNNOAOMLN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719831 841354334 /nfs/dbraw/zinc/35/43/34/841354334.db2.gz YNLJLRNNOAOMLN-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)cs1 ZINC001083781282 841428762 /nfs/dbraw/zinc/42/87/62/841428762.db2.gz ASGRYNLKEICGCL-CVEARBPZSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)cs1 ZINC001083781282 841428767 /nfs/dbraw/zinc/42/87/67/841428767.db2.gz ASGRYNLKEICGCL-CVEARBPZSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)cs1 ZINC001083781282 841428771 /nfs/dbraw/zinc/42/87/71/841428771.db2.gz ASGRYNLKEICGCL-CVEARBPZSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)cs1 ZINC001083781282 841428776 /nfs/dbraw/zinc/42/87/76/841428776.db2.gz ASGRYNLKEICGCL-CVEARBPZSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781222 841429175 /nfs/dbraw/zinc/42/91/75/841429175.db2.gz YPLFYWSOPVGLPE-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781222 841429186 /nfs/dbraw/zinc/42/91/86/841429186.db2.gz YPLFYWSOPVGLPE-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781222 841429198 /nfs/dbraw/zinc/42/91/98/841429198.db2.gz YPLFYWSOPVGLPE-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781222 841429212 /nfs/dbraw/zinc/42/92/12/841429212.db2.gz YPLFYWSOPVGLPE-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)[C@@H](O)C2)on1 ZINC001083908594 841555402 /nfs/dbraw/zinc/55/54/02/841555402.db2.gz LZSLHSWIABSTLR-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)[C@@H](O)C2)on1 ZINC001083908594 841555407 /nfs/dbraw/zinc/55/54/07/841555407.db2.gz LZSLHSWIABSTLR-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1O ZINC001083954122 841600647 /nfs/dbraw/zinc/60/06/47/841600647.db2.gz LYSZUTQATKFXGZ-YUELXQCFSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1O ZINC001083954122 841600653 /nfs/dbraw/zinc/60/06/53/841600653.db2.gz LYSZUTQATKFXGZ-YUELXQCFSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001083953952 841600810 /nfs/dbraw/zinc/60/08/10/841600810.db2.gz DUXNCCIYFUITRR-IKGGRYGDSA-N 2 2 350.463 0.065 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001083953952 841600814 /nfs/dbraw/zinc/60/08/14/841600814.db2.gz DUXNCCIYFUITRR-IKGGRYGDSA-N 2 2 350.463 0.065 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961077 841604878 /nfs/dbraw/zinc/60/48/78/841604878.db2.gz BGKMZWGGUCXDHV-HIFRSBDPSA-N 2 2 361.471 0.888 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961077 841604885 /nfs/dbraw/zinc/60/48/85/841604885.db2.gz BGKMZWGGUCXDHV-HIFRSBDPSA-N 2 2 361.471 0.888 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001084057437 841670850 /nfs/dbraw/zinc/67/08/50/841670850.db2.gz KZIWEPXUJZAOED-CABCVRRESA-N 2 2 361.471 0.448 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001084057437 841670861 /nfs/dbraw/zinc/67/08/61/841670861.db2.gz KZIWEPXUJZAOED-CABCVRRESA-N 2 2 361.471 0.448 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056717 841670979 /nfs/dbraw/zinc/67/09/79/841670979.db2.gz KYEWUYIOHWLYKU-MAZHCROVSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084056717 841670985 /nfs/dbraw/zinc/67/09/85/841670985.db2.gz KYEWUYIOHWLYKU-MAZHCROVSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084056717 841670995 /nfs/dbraw/zinc/67/09/95/841670995.db2.gz KYEWUYIOHWLYKU-MAZHCROVSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084056717 841671001 /nfs/dbraw/zinc/67/10/01/841671001.db2.gz KYEWUYIOHWLYKU-MAZHCROVSA-N 2 2 351.422 0.447 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056830 841671390 /nfs/dbraw/zinc/67/13/90/841671390.db2.gz PTCZQEQVNAYUIL-IMJJTQAJSA-N 2 2 367.877 0.832 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056830 841671395 /nfs/dbraw/zinc/67/13/95/841671395.db2.gz PTCZQEQVNAYUIL-IMJJTQAJSA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056830 841671399 /nfs/dbraw/zinc/67/13/99/841671399.db2.gz PTCZQEQVNAYUIL-IMJJTQAJSA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@@H]2O)C1 ZINC001084056830 841671403 /nfs/dbraw/zinc/67/14/03/841671403.db2.gz PTCZQEQVNAYUIL-IMJJTQAJSA-N 2 2 367.877 0.832 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084448020 841795353 /nfs/dbraw/zinc/79/53/53/841795353.db2.gz GZTNDSNGWOZEKX-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084448020 841795362 /nfs/dbraw/zinc/79/53/62/841795362.db2.gz GZTNDSNGWOZEKX-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084475938 841808201 /nfs/dbraw/zinc/80/82/01/841808201.db2.gz AJJPAICUHXXUGW-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084475938 841808211 /nfs/dbraw/zinc/80/82/11/841808211.db2.gz AJJPAICUHXXUGW-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084475938 841808221 /nfs/dbraw/zinc/80/82/21/841808221.db2.gz AJJPAICUHXXUGW-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084475938 841808238 /nfs/dbraw/zinc/80/82/38/841808238.db2.gz AJJPAICUHXXUGW-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001084775810 841913754 /nfs/dbraw/zinc/91/37/54/841913754.db2.gz VIACAJZTERKSLM-BPLDGKMQSA-N 2 2 354.401 0.920 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001084775810 841913761 /nfs/dbraw/zinc/91/37/61/841913761.db2.gz VIACAJZTERKSLM-BPLDGKMQSA-N 2 2 354.401 0.920 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911543 841952654 /nfs/dbraw/zinc/95/26/54/841952654.db2.gz KRCDEJBIIFSCLB-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911543 841952657 /nfs/dbraw/zinc/95/26/57/841952657.db2.gz KRCDEJBIIFSCLB-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911543 841952660 /nfs/dbraw/zinc/95/26/60/841952660.db2.gz KRCDEJBIIFSCLB-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911543 841952663 /nfs/dbraw/zinc/95/26/63/841952663.db2.gz KRCDEJBIIFSCLB-KBMXLJTQSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001085242490 842053332 /nfs/dbraw/zinc/05/33/32/842053332.db2.gz UCEYIIQJAAWFND-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001085242490 842053342 /nfs/dbraw/zinc/05/33/42/842053342.db2.gz UCEYIIQJAAWFND-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnsn2)O1 ZINC001085243011 842055103 /nfs/dbraw/zinc/05/51/03/842055103.db2.gz QPHFONSMANOGIP-NMFUWQPSSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnsn2)O1 ZINC001085243011 842055106 /nfs/dbraw/zinc/05/51/06/842055106.db2.gz QPHFONSMANOGIP-NMFUWQPSSA-N 2 2 353.492 0.774 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085345591 842080441 /nfs/dbraw/zinc/08/04/41/842080441.db2.gz GDRVDJOUMUATQG-NWANDNLSSA-N 2 2 354.476 0.404 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085374816 842090300 /nfs/dbraw/zinc/09/03/00/842090300.db2.gz KJVRLNITDXRDCG-MGPQQGTHSA-N 2 2 354.476 0.404 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001085438709 842105749 /nfs/dbraw/zinc/10/57/49/842105749.db2.gz BWCCRFBRPFLLGS-ARFHVFGLSA-N 2 2 368.503 0.725 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001085603806 842107986 /nfs/dbraw/zinc/10/79/86/842107986.db2.gz ORVLGWINMKNPDS-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001085603806 842107991 /nfs/dbraw/zinc/10/79/91/842107991.db2.gz ORVLGWINMKNPDS-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001085603806 842107994 /nfs/dbraw/zinc/10/79/94/842107994.db2.gz ORVLGWINMKNPDS-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001085603806 842108000 /nfs/dbraw/zinc/10/80/00/842108000.db2.gz ORVLGWINMKNPDS-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737290 842113555 /nfs/dbraw/zinc/11/35/55/842113555.db2.gz JROIKXWOVHFOMM-ZACQAIPSSA-N 2 2 357.470 0.759 20 0 FCADLP CN(C[C@H]1CC[N@H+]1CCCF)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737290 842113558 /nfs/dbraw/zinc/11/35/58/842113558.db2.gz JROIKXWOVHFOMM-ZACQAIPSSA-N 2 2 357.470 0.759 20 0 FCADLP CCn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086119853 842121548 /nfs/dbraw/zinc/12/15/48/842121548.db2.gz CGYVZMDJWKVQKB-HGTKMLMNSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086119853 842121559 /nfs/dbraw/zinc/12/15/59/842121559.db2.gz CGYVZMDJWKVQKB-HGTKMLMNSA-N 2 2 350.467 0.002 20 0 FCADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086120312 842121765 /nfs/dbraw/zinc/12/17/65/842121765.db2.gz UOOPHCMJXLHGRV-SOMZYNEFSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086120312 842121778 /nfs/dbraw/zinc/12/17/78/842121778.db2.gz UOOPHCMJXLHGRV-SOMZYNEFSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086120311 842122137 /nfs/dbraw/zinc/12/21/37/842122137.db2.gz UOOPHCMJXLHGRV-QFCKPIOYSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086120311 842122145 /nfs/dbraw/zinc/12/21/45/842122145.db2.gz UOOPHCMJXLHGRV-QFCKPIOYSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086400636 842131059 /nfs/dbraw/zinc/13/10/59/842131059.db2.gz PZHXHUQLKMDQBR-FMKGYKFTSA-N 2 2 353.492 0.550 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086400636 842131063 /nfs/dbraw/zinc/13/10/63/842131063.db2.gz PZHXHUQLKMDQBR-FMKGYKFTSA-N 2 2 353.492 0.550 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086731431 842161447 /nfs/dbraw/zinc/16/14/47/842161447.db2.gz LIZBJHPQHCDFCG-FAAHXZRKSA-N 2 2 350.467 0.207 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086731431 842161454 /nfs/dbraw/zinc/16/14/54/842161454.db2.gz LIZBJHPQHCDFCG-FAAHXZRKSA-N 2 2 350.467 0.207 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nonc3C)C2)C1 ZINC001086880500 842190068 /nfs/dbraw/zinc/19/00/68/842190068.db2.gz CGPZPXCRVOEOSG-SQWLQELKSA-N 2 2 351.451 0.473 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nonc3C)C2)C1 ZINC001086880500 842190070 /nfs/dbraw/zinc/19/00/70/842190070.db2.gz CGPZPXCRVOEOSG-SQWLQELKSA-N 2 2 351.451 0.473 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087070868 842264106 /nfs/dbraw/zinc/26/41/06/842264106.db2.gz NCZRVNDBQAURCF-ZIAGYGMSSA-N 2 2 364.475 0.778 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087098917 842287886 /nfs/dbraw/zinc/28/78/86/842287886.db2.gz UXFWPENTQXYXAA-ZMSDIMECSA-N 2 2 350.463 0.750 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001087141323 842299723 /nfs/dbraw/zinc/29/97/23/842299723.db2.gz IXIJLXHZEUVUQX-NJAFHUGGSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001087141323 842299733 /nfs/dbraw/zinc/29/97/33/842299733.db2.gz IXIJLXHZEUVUQX-NJAFHUGGSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnon3)C2)O1 ZINC001088335205 842568470 /nfs/dbraw/zinc/56/84/70/842568470.db2.gz YGAFCQCZDRKWGD-IIAWOOMASA-N 2 2 351.451 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3cnon3)C2)O1 ZINC001088335205 842568479 /nfs/dbraw/zinc/56/84/79/842568479.db2.gz YGAFCQCZDRKWGD-IIAWOOMASA-N 2 2 351.451 0.650 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621806 842633594 /nfs/dbraw/zinc/63/35/94/842633594.db2.gz UQMAYKWHMGOARS-OAGGEKHMSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621806 842633600 /nfs/dbraw/zinc/63/36/00/842633600.db2.gz UQMAYKWHMGOARS-OAGGEKHMSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621806 842633606 /nfs/dbraw/zinc/63/36/06/842633606.db2.gz UQMAYKWHMGOARS-OAGGEKHMSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621806 842633609 /nfs/dbraw/zinc/63/36/09/842633609.db2.gz UQMAYKWHMGOARS-OAGGEKHMSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692872 842653077 /nfs/dbraw/zinc/65/30/77/842653077.db2.gz BCQVSRJXBJFLQL-HYVNUMGLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692872 842653080 /nfs/dbraw/zinc/65/30/80/842653080.db2.gz BCQVSRJXBJFLQL-HYVNUMGLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692872 842653084 /nfs/dbraw/zinc/65/30/84/842653084.db2.gz BCQVSRJXBJFLQL-HYVNUMGLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692872 842653089 /nfs/dbraw/zinc/65/30/89/842653089.db2.gz BCQVSRJXBJFLQL-HYVNUMGLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+]1CC1CC1 ZINC001088763026 842668830 /nfs/dbraw/zinc/66/88/30/842668830.db2.gz JKYAWYAAAWKVGN-BGTYHANMSA-N 2 2 351.491 0.855 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+]1CC1CC1 ZINC001088763026 842668834 /nfs/dbraw/zinc/66/88/34/842668834.db2.gz JKYAWYAAAWKVGN-BGTYHANMSA-N 2 2 351.491 0.855 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001089041412 842751861 /nfs/dbraw/zinc/75/18/61/842751861.db2.gz USZHJRSTZMOEBV-BMFZPTHFSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001089041412 842751871 /nfs/dbraw/zinc/75/18/71/842751871.db2.gz USZHJRSTZMOEBV-BMFZPTHFSA-N 2 2 368.503 0.595 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001089038035 842751898 /nfs/dbraw/zinc/75/18/98/842751898.db2.gz AVKSYOWDJKWLLR-ZBFHGGJFSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001089038035 842751908 /nfs/dbraw/zinc/75/19/08/842751908.db2.gz AVKSYOWDJKWLLR-ZBFHGGJFSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001089040056 842751981 /nfs/dbraw/zinc/75/19/81/842751981.db2.gz WDKMMEWBIUYNNC-SJORKVTESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001089040056 842751991 /nfs/dbraw/zinc/75/19/91/842751991.db2.gz WDKMMEWBIUYNNC-SJORKVTESA-N 2 2 350.507 0.920 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521665 843228864 /nfs/dbraw/zinc/22/88/64/843228864.db2.gz AVJGHGMPKHCBDR-DAXOMENPSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521665 843228877 /nfs/dbraw/zinc/22/88/77/843228877.db2.gz AVJGHGMPKHCBDR-DAXOMENPSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521665 843228893 /nfs/dbraw/zinc/22/88/93/843228893.db2.gz AVJGHGMPKHCBDR-DAXOMENPSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521665 843228904 /nfs/dbraw/zinc/22/89/04/843228904.db2.gz AVJGHGMPKHCBDR-DAXOMENPSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523897 843230230 /nfs/dbraw/zinc/23/02/30/843230230.db2.gz NBLRTWLNOZKCKU-VMGRFDJRSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523897 843230235 /nfs/dbraw/zinc/23/02/35/843230235.db2.gz NBLRTWLNOZKCKU-VMGRFDJRSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523897 843230242 /nfs/dbraw/zinc/23/02/42/843230242.db2.gz NBLRTWLNOZKCKU-VMGRFDJRSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)c(C)o1 ZINC001092523897 843230246 /nfs/dbraw/zinc/23/02/46/843230246.db2.gz NBLRTWLNOZKCKU-VMGRFDJRSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725743 843287333 /nfs/dbraw/zinc/28/73/33/843287333.db2.gz YPYJSZCANHYBIB-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725743 843287347 /nfs/dbraw/zinc/28/73/47/843287347.db2.gz YPYJSZCANHYBIB-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725743 843287357 /nfs/dbraw/zinc/28/73/57/843287357.db2.gz YPYJSZCANHYBIB-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)o1 ZINC001092725743 843287364 /nfs/dbraw/zinc/28/73/64/843287364.db2.gz YPYJSZCANHYBIB-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212129 843410629 /nfs/dbraw/zinc/41/06/29/843410629.db2.gz IRRLWXPBZHQABN-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212129 843410632 /nfs/dbraw/zinc/41/06/32/843410632.db2.gz IRRLWXPBZHQABN-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212129 843410639 /nfs/dbraw/zinc/41/06/39/843410639.db2.gz IRRLWXPBZHQABN-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212129 843410649 /nfs/dbraw/zinc/41/06/49/843410649.db2.gz IRRLWXPBZHQABN-XNRPHZJLSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001094234134 843537781 /nfs/dbraw/zinc/53/77/81/843537781.db2.gz NVXAPMWWVDCJJW-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001094234134 843537792 /nfs/dbraw/zinc/53/77/92/843537792.db2.gz NVXAPMWWVDCJJW-NFAWXSAZSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)C1 ZINC001094232165 843537941 /nfs/dbraw/zinc/53/79/41/843537941.db2.gz NKMRNQMQCZPTRG-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnc(C)o3)[C@H](C)C2)C1 ZINC001094232165 843537947 /nfs/dbraw/zinc/53/79/47/843537947.db2.gz NKMRNQMQCZPTRG-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP COCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276368254 861431880 /nfs/dbraw/zinc/43/18/80/861431880.db2.gz QSRVHSZMBLHMFC-SFHVURJKSA-N 2 2 350.463 0.898 20 0 FCADLP COCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276368254 861431889 /nfs/dbraw/zinc/43/18/89/861431889.db2.gz QSRVHSZMBLHMFC-SFHVURJKSA-N 2 2 350.463 0.898 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001096545385 843799819 /nfs/dbraw/zinc/79/98/19/843799819.db2.gz WQJQMPKPVXFGGN-IKGGRYGDSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001096545385 843799827 /nfs/dbraw/zinc/79/98/27/843799827.db2.gz WQJQMPKPVXFGGN-IKGGRYGDSA-N 2 2 369.531 0.629 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001097552666 843872556 /nfs/dbraw/zinc/87/25/56/843872556.db2.gz CWUNBRBAXBSCQL-JJXSEGSLSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001097552666 843872562 /nfs/dbraw/zinc/87/25/62/843872562.db2.gz CWUNBRBAXBSCQL-JJXSEGSLSA-N 2 2 366.487 0.348 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCF)CC3)C2)O1 ZINC001098611149 843927332 /nfs/dbraw/zinc/92/73/32/843927332.db2.gz YAFZSCOXOVKBRU-OWCLPIDISA-N 2 2 357.470 0.757 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C)OC3(CC[NH+](CCF)CC3)C2)O1 ZINC001098611149 843927337 /nfs/dbraw/zinc/92/73/37/843927337.db2.gz YAFZSCOXOVKBRU-OWCLPIDISA-N 2 2 357.470 0.757 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001099279495 844002890 /nfs/dbraw/zinc/00/28/90/844002890.db2.gz HBPWXIKMKVWMSA-IJLUTSLNSA-N 2 2 359.352 0.059 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099279318 844002941 /nfs/dbraw/zinc/00/29/41/844002941.db2.gz DEMFEMVPKRRSFP-GRYCIOLGSA-N 2 2 361.368 0.434 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537147 844775218 /nfs/dbraw/zinc/77/52/18/844775218.db2.gz VRROMIRZZVFMOZ-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537147 844775224 /nfs/dbraw/zinc/77/52/24/844775224.db2.gz VRROMIRZZVFMOZ-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)CN(COC(=O)C(C)(C)C)C(=O)CO2 ZINC001276610375 861497838 /nfs/dbraw/zinc/49/78/38/861497838.db2.gz QFAMHMBQOAMPHJ-GOSISDBHSA-N 2 2 355.479 0.788 20 0 FCADLP C[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642127 844793806 /nfs/dbraw/zinc/79/38/06/844793806.db2.gz RILNCJWXZBEXTD-ZIAGYGMSSA-N 2 2 355.508 0.691 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642127 844793809 /nfs/dbraw/zinc/79/38/09/844793809.db2.gz RILNCJWXZBEXTD-ZIAGYGMSSA-N 2 2 355.508 0.691 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)CN(COC(=O)C(C)(C)C)C(=O)CO2 ZINC001276610375 861497843 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2 351.451 0.365 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnsn3)C2)C1 ZINC001105042017 844973757 /nfs/dbraw/zinc/97/37/57/844973757.db2.gz LMVYRLQFTLNBOF-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnsn3)C2)C1 ZINC001105042017 844973758 /nfs/dbraw/zinc/97/37/58/844973758.db2.gz LMVYRLQFTLNBOF-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3csnn3)C2)C1 ZINC001105042074 844973905 /nfs/dbraw/zinc/97/39/05/844973905.db2.gz NFGZLYQCUUOTHG-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3csnn3)C2)C1 ZINC001105042074 844973911 /nfs/dbraw/zinc/97/39/11/844973911.db2.gz NFGZLYQCUUOTHG-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2[nH]cc[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668796 845014501 /nfs/dbraw/zinc/01/45/01/845014501.db2.gz ZUKWBTOLOFYCAQ-DTDBQYNISA-N 2 2 350.463 0.301 20 0 FCADLP 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COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)sn1 ZINC001111277441 846076626 /nfs/dbraw/zinc/07/66/26/846076626.db2.gz RZJZGLFDPHSQOU-YUELXQCFSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)sn1 ZINC001111277441 846076629 /nfs/dbraw/zinc/07/66/29/846076629.db2.gz RZJZGLFDPHSQOU-YUELXQCFSA-N 2 2 368.503 0.951 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111308963 846082188 /nfs/dbraw/zinc/08/21/88/846082188.db2.gz FWXOOJNUTOTOLT-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111308963 846082189 /nfs/dbraw/zinc/08/21/89/846082189.db2.gz FWXOOJNUTOTOLT-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111308963 846082190 /nfs/dbraw/zinc/08/21/90/846082190.db2.gz FWXOOJNUTOTOLT-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001111308963 846082191 /nfs/dbraw/zinc/08/21/91/846082191.db2.gz FWXOOJNUTOTOLT-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408456 846099375 /nfs/dbraw/zinc/09/93/75/846099375.db2.gz ZQWGNALNIVCNLZ-OAGGEKHMSA-N 2 2 372.535 0.133 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408456 846099378 /nfs/dbraw/zinc/09/93/78/846099378.db2.gz ZQWGNALNIVCNLZ-OAGGEKHMSA-N 2 2 372.535 0.133 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407186 846100512 /nfs/dbraw/zinc/10/05/12/846100512.db2.gz NWLLTCIATHQDRZ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407186 846100517 /nfs/dbraw/zinc/10/05/17/846100517.db2.gz NWLLTCIATHQDRZ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407186 846100519 /nfs/dbraw/zinc/10/05/19/846100519.db2.gz NWLLTCIATHQDRZ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407186 846100523 /nfs/dbraw/zinc/10/05/23/846100523.db2.gz NWLLTCIATHQDRZ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962521 846276414 /nfs/dbraw/zinc/27/64/14/846276414.db2.gz AMVKUCXOFAVQQX-ZVZYQTTQSA-N 2 2 350.463 0.331 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111962521 846276424 /nfs/dbraw/zinc/27/64/24/846276424.db2.gz AMVKUCXOFAVQQX-ZVZYQTTQSA-N 2 2 350.463 0.331 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122627 846400095 /nfs/dbraw/zinc/40/00/95/846400095.db2.gz YASUTUYXGYARRU-UTUOFQBUSA-N 2 2 350.385 0.196 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122627 846400098 /nfs/dbraw/zinc/40/00/98/846400098.db2.gz YASUTUYXGYARRU-UTUOFQBUSA-N 2 2 350.385 0.196 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112183764 846444104 /nfs/dbraw/zinc/44/41/04/846444104.db2.gz YWZCMWIYGUKHLU-VXGBXAGGSA-N 2 2 364.368 0.594 20 0 FCADLP COCCOC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276915287 861689555 /nfs/dbraw/zinc/68/95/55/861689555.db2.gz WKGHRQKPSYMPCH-QGZVFWFLSA-N 2 2 350.419 0.382 20 0 FCADLP COCCOC[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276915287 861689561 /nfs/dbraw/zinc/68/95/61/861689561.db2.gz WKGHRQKPSYMPCH-QGZVFWFLSA-N 2 2 350.419 0.382 20 0 FCADLP CC(C)(CO)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276957951 861703746 /nfs/dbraw/zinc/70/37/46/861703746.db2.gz CDQNCMKSTCRUEO-GOSISDBHSA-N 2 2 350.463 0.453 20 0 FCADLP CC(C)(CO)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276957951 861703755 /nfs/dbraw/zinc/70/37/55/861703755.db2.gz CDQNCMKSTCRUEO-GOSISDBHSA-N 2 2 350.463 0.453 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC001118311358 847375858 /nfs/dbraw/zinc/37/58/58/847375858.db2.gz AEPQCJRYNYQYGN-LSDHHAIUSA-N 2 2 354.520 0.270 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC001118311358 847375880 /nfs/dbraw/zinc/37/58/80/847375880.db2.gz AEPQCJRYNYQYGN-LSDHHAIUSA-N 2 2 354.520 0.270 20 0 FCADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001119294824 847805262 /nfs/dbraw/zinc/80/52/62/847805262.db2.gz KROIEILERZOXSO-AWEZNQCLSA-N 2 2 350.438 0.714 20 0 FCADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001119294824 847805268 /nfs/dbraw/zinc/80/52/68/847805268.db2.gz KROIEILERZOXSO-AWEZNQCLSA-N 2 2 350.438 0.714 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CF)C3)C2)CC1 ZINC001119474908 847855661 /nfs/dbraw/zinc/85/56/61/847855661.db2.gz PPXSXOYSIWHLQQ-HUUCEWRRSA-N 2 2 354.470 0.479 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CF)C3)C2)CC1 ZINC001119474908 847855668 /nfs/dbraw/zinc/85/56/68/847855668.db2.gz PPXSXOYSIWHLQQ-HUUCEWRRSA-N 2 2 354.470 0.479 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C2 ZINC001122119005 848450778 /nfs/dbraw/zinc/45/07/78/848450778.db2.gz AYUHENXROZVQDD-IAQYHMDHSA-N 2 2 360.380 0.699 20 0 FCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC1 ZINC001123615407 848613882 /nfs/dbraw/zinc/61/38/82/848613882.db2.gz WKLLFMZNAHHBTR-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CC(C)(C)[N@H+]1CCCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC1 ZINC001123615407 848613890 /nfs/dbraw/zinc/61/38/90/848613890.db2.gz WKLLFMZNAHHBTR-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CC(C)(C)[NH+]1CCCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001123615407 848613896 /nfs/dbraw/zinc/61/38/96/848613896.db2.gz WKLLFMZNAHHBTR-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CC(C)(C)[NH+]1CCCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001123615407 848613906 /nfs/dbraw/zinc/61/39/06/848613906.db2.gz WKLLFMZNAHHBTR-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001123714892 848628361 /nfs/dbraw/zinc/62/83/61/848628361.db2.gz TVQUPLAOLIGQMH-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001123714892 848628370 /nfs/dbraw/zinc/62/83/70/848628370.db2.gz TVQUPLAOLIGQMH-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001123793537 848638372 /nfs/dbraw/zinc/63/83/72/848638372.db2.gz CMKJOEYRJKVYIC-BBWFWOEESA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123793537 848638377 /nfs/dbraw/zinc/63/83/77/848638377.db2.gz CMKJOEYRJKVYIC-BBWFWOEESA-N 2 2 353.511 0.127 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048432 848799402 /nfs/dbraw/zinc/79/94/02/848799402.db2.gz BXSFIIKRQAPILB-PUZFDUQFSA-N 2 2 352.870 0.856 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048432 848799405 /nfs/dbraw/zinc/79/94/05/848799405.db2.gz BXSFIIKRQAPILB-PUZFDUQFSA-N 2 2 352.870 0.856 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048432 848799408 /nfs/dbraw/zinc/79/94/08/848799408.db2.gz BXSFIIKRQAPILB-PUZFDUQFSA-N 2 2 352.870 0.856 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048432 848799410 /nfs/dbraw/zinc/79/94/10/848799410.db2.gz BXSFIIKRQAPILB-PUZFDUQFSA-N 2 2 352.870 0.856 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)sn1 ZINC001129228159 848819427 /nfs/dbraw/zinc/81/94/27/848819427.db2.gz GILZXELZYNGUTH-CABCVRRESA-N 2 2 363.491 0.536 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)sn1 ZINC001129228159 848819430 /nfs/dbraw/zinc/81/94/30/848819430.db2.gz GILZXELZYNGUTH-CABCVRRESA-N 2 2 363.491 0.536 20 0 FCADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)n1 ZINC001129991894 848926360 /nfs/dbraw/zinc/92/63/60/848926360.db2.gz BLFXANKPNJIPBW-KGLIPLIRSA-N 2 2 363.491 0.536 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130819672 849048650 /nfs/dbraw/zinc/04/86/50/849048650.db2.gz CPRQSXNFSSZBLE-NWDGAFQWSA-N 2 2 351.386 0.097 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131585149 849127500 /nfs/dbraw/zinc/12/75/00/849127500.db2.gz PJPASTCSVOSJIB-SIIHOXLZSA-N 2 2 350.463 0.973 20 0 FCADLP O=C(NCC[NH2+]CC=C(Cl)Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614071 849131482 /nfs/dbraw/zinc/13/14/82/849131482.db2.gz WYXFBFJZSKEBLS-OLZOCXBDSA-N 2 2 366.289 0.891 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC001139048402 849326510 /nfs/dbraw/zinc/32/65/10/849326510.db2.gz KEZQVZXVGBRZJS-CQSZACIVSA-N 2 2 367.519 0.622 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC001139048402 849326518 /nfs/dbraw/zinc/32/65/18/849326518.db2.gz KEZQVZXVGBRZJS-CQSZACIVSA-N 2 2 367.519 0.622 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[NH+](CC(C)(C)O)CC3)s2)CC1 ZINC001139325998 849337139 /nfs/dbraw/zinc/33/71/39/849337139.db2.gz JHAKDJUGYOTXCZ-UHFFFAOYSA-N 2 2 353.536 0.783 20 0 FCADLP OC[C@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139760538 849346297 /nfs/dbraw/zinc/34/62/97/849346297.db2.gz RHBZOFRLKHENRT-IEBWSBKVSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139760538 849346309 /nfs/dbraw/zinc/34/63/09/849346309.db2.gz RHBZOFRLKHENRT-IEBWSBKVSA-N 2 2 350.459 0.573 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001142584373 849453096 /nfs/dbraw/zinc/45/30/96/849453096.db2.gz UJCSBMCFGHVOSR-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001142584373 849453089 /nfs/dbraw/zinc/45/30/89/849453089.db2.gz UJCSBMCFGHVOSR-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001142584373 849453093 /nfs/dbraw/zinc/45/30/93/849453093.db2.gz UJCSBMCFGHVOSR-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001142584373 849453102 /nfs/dbraw/zinc/45/31/02/849453102.db2.gz UJCSBMCFGHVOSR-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732257 862044391 /nfs/dbraw/zinc/04/43/91/862044391.db2.gz AWZYYAFSPPHBIF-QGZVFWFLSA-N 2 2 350.419 0.680 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732257 862044405 /nfs/dbraw/zinc/04/44/05/862044405.db2.gz AWZYYAFSPPHBIF-QGZVFWFLSA-N 2 2 350.419 0.680 20 0 FCADLP CCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733906 862047637 /nfs/dbraw/zinc/04/76/37/862047637.db2.gz HGORIIANLBPEQX-SJLPKXTDSA-N 2 2 350.463 0.738 20 0 FCADLP CCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733906 862047652 /nfs/dbraw/zinc/04/76/52/862047652.db2.gz HGORIIANLBPEQX-SJLPKXTDSA-N 2 2 350.463 0.738 20 0 FCADLP COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155374528 849849342 /nfs/dbraw/zinc/84/93/42/849849342.db2.gz ZKBNHTPGKORHQI-GFCCVEGCSA-N 2 2 353.854 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)N(C)C)O1 ZINC001158124909 850020133 /nfs/dbraw/zinc/02/01/33/850020133.db2.gz XJTCUTWFJVBHGT-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)N(C)C)O1 ZINC001158124909 850020136 /nfs/dbraw/zinc/02/01/36/850020136.db2.gz XJTCUTWFJVBHGT-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)N(C)C)O1 ZINC001158124909 850020141 /nfs/dbraw/zinc/02/01/41/850020141.db2.gz XJTCUTWFJVBHGT-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)N(C)C)O1 ZINC001158124909 850020144 /nfs/dbraw/zinc/02/01/44/850020144.db2.gz XJTCUTWFJVBHGT-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CC(C)CCNS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158208994 850023197 /nfs/dbraw/zinc/02/31/97/850023197.db2.gz CNCRTLCMSGXSGH-CYBMUJFWSA-N 2 2 367.475 0.454 20 0 FCADLP CCNS(=O)(=O)c1cccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260998 850030300 /nfs/dbraw/zinc/03/03/00/850030300.db2.gz JIZNDZVOZXWTQH-ZDUSSCGKSA-N 2 2 353.492 0.382 20 0 FCADLP CCNS(=O)(=O)c1cccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158260998 850030306 /nfs/dbraw/zinc/03/03/06/850030306.db2.gz JIZNDZVOZXWTQH-ZDUSSCGKSA-N 2 2 353.492 0.382 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)C1 ZINC001158266985 850031859 /nfs/dbraw/zinc/03/18/59/850031859.db2.gz GOHDRORHUKZLCE-ZDUSSCGKSA-N 2 2 365.503 0.524 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(S(=O)(=O)NC4CC4)cn3)CC2)C1 ZINC001158266985 850031861 /nfs/dbraw/zinc/03/18/61/850031861.db2.gz GOHDRORHUKZLCE-ZDUSSCGKSA-N 2 2 365.503 0.524 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCc2c(C[N@H+](C)C(C)C)[nH]nc2C1 ZINC001158855192 850081709 /nfs/dbraw/zinc/08/17/09/850081709.db2.gz FQTCOCSIRYGEAQ-ZDUSSCGKSA-N 2 2 351.451 0.415 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCc2c(C[N@@H+](C)C(C)C)[nH]nc2C1 ZINC001158855192 850081716 /nfs/dbraw/zinc/08/17/16/850081716.db2.gz FQTCOCSIRYGEAQ-ZDUSSCGKSA-N 2 2 351.451 0.415 20 0 FCADLP O=C([C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158900220 850083779 /nfs/dbraw/zinc/08/37/79/850083779.db2.gz BJGOQJVRQXCIKM-HACGYAERSA-N 2 2 350.394 0.063 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001159076571 850094368 /nfs/dbraw/zinc/09/43/68/850094368.db2.gz JHEKUTRRGGOHNX-ATNYBXOESA-N 2 2 353.463 0.369 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159192828 850100748 /nfs/dbraw/zinc/10/07/48/850100748.db2.gz XKJSIMCIRCWKQP-LESHARBVSA-N 2 2 368.503 0.364 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159192830 850100881 /nfs/dbraw/zinc/10/08/81/850100881.db2.gz XKJSIMCIRCWKQP-YHSMVDSJSA-N 2 2 368.503 0.364 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832079 850138896 /nfs/dbraw/zinc/13/88/96/850138896.db2.gz BGKORXYDRPDRKS-BPLDGKMQSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832079 850138908 /nfs/dbraw/zinc/13/89/08/850138908.db2.gz BGKORXYDRPDRKS-BPLDGKMQSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832079 850138915 /nfs/dbraw/zinc/13/89/15/850138915.db2.gz BGKORXYDRPDRKS-BPLDGKMQSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832079 850138921 /nfs/dbraw/zinc/13/89/21/850138921.db2.gz BGKORXYDRPDRKS-BPLDGKMQSA-N 2 2 360.487 0.859 20 0 FCADLP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)[C@H]2C1 ZINC001159999426 850149386 /nfs/dbraw/zinc/14/93/86/850149386.db2.gz RWXYIQAYYZIMCK-PMPSAXMXSA-N 2 2 366.487 0.141 20 0 FCADLP CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001160148619 850154748 /nfs/dbraw/zinc/15/47/48/850154748.db2.gz XSGKFXABIUGPDI-RYUDHWBXSA-N 2 2 365.503 0.003 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336644 850168798 /nfs/dbraw/zinc/16/87/98/850168798.db2.gz HJCKAIIUZQKNJM-MGPQQGTHSA-N 2 2 351.451 0.150 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336644 850168804 /nfs/dbraw/zinc/16/88/04/850168804.db2.gz HJCKAIIUZQKNJM-MGPQQGTHSA-N 2 2 351.451 0.150 20 0 FCADLP O=C(N1CCC(Oc2cc(Cl)ncn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160506606 850178381 /nfs/dbraw/zinc/17/83/81/850178381.db2.gz OLZBJRYKSZDBGM-BZNIZROVSA-N 2 2 351.838 0.451 20 0 FCADLP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001160583847 850182829 /nfs/dbraw/zinc/18/28/29/850182829.db2.gz IRWPWTGVHGDIKH-QRJUGERDSA-N 2 2 350.507 0.998 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001160603647 850183922 /nfs/dbraw/zinc/18/39/22/850183922.db2.gz YXPZQZJXMDQSNO-AAEUAGOBSA-N 2 2 357.380 0.686 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc(C3CCC3)n2)O1 ZINC001160850914 850205029 /nfs/dbraw/zinc/20/50/29/850205029.db2.gz JTNVMWUETSPUGG-TZMCWYRMSA-N 2 2 351.451 0.652 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2noc(C3CCC3)n2)O1 ZINC001160850914 850205040 /nfs/dbraw/zinc/20/50/40/850205040.db2.gz JTNVMWUETSPUGG-TZMCWYRMSA-N 2 2 351.451 0.652 20 0 FCADLP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423744 850258669 /nfs/dbraw/zinc/25/86/69/850258669.db2.gz LXXHIIFXLZWHNZ-HZPDHXFCSA-N 2 2 362.499 0.280 20 0 FCADLP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423744 850258674 /nfs/dbraw/zinc/25/86/74/850258674.db2.gz LXXHIIFXLZWHNZ-HZPDHXFCSA-N 2 2 362.499 0.280 20 0 FCADLP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)C1=O ZINC001161472297 850262312 /nfs/dbraw/zinc/26/23/12/850262312.db2.gz WRAYTRDNGBFOIA-UONOGXRCSA-N 2 2 358.433 0.658 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520604 850266154 /nfs/dbraw/zinc/26/61/54/850266154.db2.gz SHFHVECHISKXIS-YPMHNXCESA-N 2 2 367.251 0.723 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277810889 862111490 /nfs/dbraw/zinc/11/14/90/862111490.db2.gz OLQZEDJLIHJVCD-WMZOPIPTSA-N 2 2 350.463 0.595 20 0 FCADLP COC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277810889 862111499 /nfs/dbraw/zinc/11/14/99/862111499.db2.gz OLQZEDJLIHJVCD-WMZOPIPTSA-N 2 2 350.463 0.595 20 0 FCADLP O=S1(=O)CCN(c2cc[nH+]c(CNc3ncc4c(n3)C[NH2+]C4)c2)CC1 ZINC001162065996 850295310 /nfs/dbraw/zinc/29/53/10/850295310.db2.gz AEGYLHBTXNZKGY-UHFFFAOYSA-N 2 2 360.443 0.322 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCOC)CC1 ZINC001277833073 862120865 /nfs/dbraw/zinc/12/08/65/862120865.db2.gz BBARZAJCZSNKSO-IAGOWNOFSA-N 2 2 355.523 0.944 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001277833369 862120915 /nfs/dbraw/zinc/12/09/15/862120915.db2.gz CUWYMNOZLKHVSG-GVDBMIGSSA-N 2 2 350.463 0.943 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cnoc1 ZINC001277833369 862120919 /nfs/dbraw/zinc/12/09/19/862120919.db2.gz CUWYMNOZLKHVSG-GVDBMIGSSA-N 2 2 350.463 0.943 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(OC)OC ZINC001277833678 862121520 /nfs/dbraw/zinc/12/15/20/862121520.db2.gz GLPMPXVRPCRMLE-ARFHVFGLSA-N 2 2 357.495 0.373 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(OC)OC ZINC001277833678 862121527 /nfs/dbraw/zinc/12/15/27/862121527.db2.gz GLPMPXVRPCRMLE-ARFHVFGLSA-N 2 2 357.495 0.373 20 0 FCADLP CS(=O)(=O)c1cc(C(F)(F)F)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072664 850604649 /nfs/dbraw/zinc/60/46/49/850604649.db2.gz RFEMTYGZWDGDNJ-SECBINFHSA-N 2 2 364.349 0.552 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169130893 850606372 /nfs/dbraw/zinc/60/63/72/850606372.db2.gz PKMCPNDRTCAFLG-YVSFHVDLSA-N 2 2 351.491 0.998 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169130893 850606377 /nfs/dbraw/zinc/60/63/77/850606377.db2.gz PKMCPNDRTCAFLG-YVSFHVDLSA-N 2 2 351.491 0.998 20 0 FCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1c2[nH+]ccn2ccc1I ZINC001170778321 850664691 /nfs/dbraw/zinc/66/46/91/850664691.db2.gz LIGWINNMQQKSJF-PSASIEDQSA-N 2 2 358.183 0.931 20 0 FCADLP CC(C)(C)OC(=O)C[NH+]1CCC(n2cnc(C[C@H]([NH3+])C(N)=O)c2)CC1 ZINC001172892509 850714844 /nfs/dbraw/zinc/71/48/44/850714844.db2.gz PPSRYEJQXNEPFI-AWEZNQCLSA-N 2 2 351.451 0.217 20 0 FCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nc2c(Br)cc(F)cn2n1 ZINC001175025579 850751365 /nfs/dbraw/zinc/75/13/65/850751365.db2.gz GLSXLTBSMFZDHJ-UHFFFAOYSA-N 2 2 372.202 0.705 20 0 FCADLP C[NH+](C)CCNC(=S)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001278101458 862187085 /nfs/dbraw/zinc/18/70/85/862187085.db2.gz LQISOYJTAWEDLA-KRWDZBQOSA-N 2 2 364.519 0.244 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037731 851406698 /nfs/dbraw/zinc/40/66/98/851406698.db2.gz KWCJDYJZFKBKDL-ILXRZTDVSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037731 851406703 /nfs/dbraw/zinc/40/67/03/851406703.db2.gz KWCJDYJZFKBKDL-ILXRZTDVSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186037731 851406709 /nfs/dbraw/zinc/40/67/09/851406709.db2.gz KWCJDYJZFKBKDL-ILXRZTDVSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001186037731 851406713 /nfs/dbraw/zinc/40/67/13/851406713.db2.gz KWCJDYJZFKBKDL-ILXRZTDVSA-N 2 2 350.488 0.633 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)CS(C)(=O)=O ZINC001187706428 851596639 /nfs/dbraw/zinc/59/66/39/851596639.db2.gz JAPUZWRCPVNQHT-QLFBSQMISA-N 2 2 368.503 0.556 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)CS(C)(=O)=O ZINC001187706428 851596646 /nfs/dbraw/zinc/59/66/46/851596646.db2.gz JAPUZWRCPVNQHT-QLFBSQMISA-N 2 2 368.503 0.556 20 0 FCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025649 851744065 /nfs/dbraw/zinc/74/40/65/851744065.db2.gz CWQSFTCGMHAFJP-FRRDWIJNSA-N 2 2 364.412 0.538 20 0 FCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189025649 851744074 /nfs/dbraw/zinc/74/40/74/851744074.db2.gz CWQSFTCGMHAFJP-FRRDWIJNSA-N 2 2 364.412 0.538 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117302 851753856 /nfs/dbraw/zinc/75/38/56/851753856.db2.gz ICAFOZXFYYCKBB-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117302 851753857 /nfs/dbraw/zinc/75/38/57/851753857.db2.gz ICAFOZXFYYCKBB-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117302 851753858 /nfs/dbraw/zinc/75/38/58/851753858.db2.gz ICAFOZXFYYCKBB-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001189117302 851753859 /nfs/dbraw/zinc/75/38/59/851753859.db2.gz ICAFOZXFYYCKBB-HRCADAONSA-N 2 2 357.520 0.438 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001189788071 851825285 /nfs/dbraw/zinc/82/52/85/851825285.db2.gz RXLDZNZSLNNEQF-FPMFFAJLSA-N 2 2 360.380 0.809 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001189788071 851825289 /nfs/dbraw/zinc/82/52/89/851825289.db2.gz RXLDZNZSLNNEQF-FPMFFAJLSA-N 2 2 360.380 0.809 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190177544 851870229 /nfs/dbraw/zinc/87/02/29/851870229.db2.gz OMAYWTFUABVFEE-CWRNSKLLSA-N 2 2 368.503 0.405 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190177544 851870238 /nfs/dbraw/zinc/87/02/38/851870238.db2.gz OMAYWTFUABVFEE-CWRNSKLLSA-N 2 2 368.503 0.405 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177879 851870805 /nfs/dbraw/zinc/87/08/05/851870805.db2.gz PUYQIMFLWXZTNY-JKSUJKDBSA-N 2 2 350.507 0.777 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190177879 851870809 /nfs/dbraw/zinc/87/08/09/851870809.db2.gz PUYQIMFLWXZTNY-JKSUJKDBSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190898475 851980240 /nfs/dbraw/zinc/98/02/40/851980240.db2.gz CAEYKPGKWQCLRT-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190898475 851980248 /nfs/dbraw/zinc/98/02/48/851980248.db2.gz CAEYKPGKWQCLRT-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190898475 851980257 /nfs/dbraw/zinc/98/02/57/851980257.db2.gz CAEYKPGKWQCLRT-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190898475 851980262 /nfs/dbraw/zinc/98/02/62/851980262.db2.gz CAEYKPGKWQCLRT-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469801 852081366 /nfs/dbraw/zinc/08/13/66/852081366.db2.gz YHLONZSYDJLPTB-ZACQAIPSSA-N 2 2 355.479 0.045 20 0 FCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191469801 852081376 /nfs/dbraw/zinc/08/13/76/852081376.db2.gz YHLONZSYDJLPTB-ZACQAIPSSA-N 2 2 355.479 0.045 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193112691 852357853 /nfs/dbraw/zinc/35/78/53/852357853.db2.gz XPKLXIMSRIUZPW-NUEKZKHPSA-N 2 2 350.463 0.084 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193112691 852357861 /nfs/dbraw/zinc/35/78/61/852357861.db2.gz XPKLXIMSRIUZPW-NUEKZKHPSA-N 2 2 350.463 0.084 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001193901660 852503563 /nfs/dbraw/zinc/50/35/63/852503563.db2.gz JCVFBEXLGSKKJV-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001193901660 852503569 /nfs/dbraw/zinc/50/35/69/852503569.db2.gz JCVFBEXLGSKKJV-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001193901660 852503578 /nfs/dbraw/zinc/50/35/78/852503578.db2.gz JCVFBEXLGSKKJV-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001193901660 852503585 /nfs/dbraw/zinc/50/35/85/852503585.db2.gz JCVFBEXLGSKKJV-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)O1 ZINC001194054316 852532610 /nfs/dbraw/zinc/53/26/10/852532610.db2.gz JJXZOHLOCIMFMI-AAVRWANBSA-N 2 2 367.412 0.599 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)O1 ZINC001194054316 852532619 /nfs/dbraw/zinc/53/26/19/852532619.db2.gz JJXZOHLOCIMFMI-AAVRWANBSA-N 2 2 367.412 0.599 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]2O)O1 ZINC001194054316 852532624 /nfs/dbraw/zinc/53/26/24/852532624.db2.gz JJXZOHLOCIMFMI-AAVRWANBSA-N 2 2 367.412 0.599 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]2O)O1 ZINC001194054316 852532632 /nfs/dbraw/zinc/53/26/32/852532632.db2.gz JJXZOHLOCIMFMI-AAVRWANBSA-N 2 2 367.412 0.599 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O)[NH+](C)C ZINC001194095971 852535897 /nfs/dbraw/zinc/53/58/97/852535897.db2.gz XRDIJPHPWJIJRZ-QBPKDAKJSA-N 2 2 369.893 0.875 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O)[NH+](C)C ZINC001194095971 852535904 /nfs/dbraw/zinc/53/59/04/852535904.db2.gz XRDIJPHPWJIJRZ-QBPKDAKJSA-N 2 2 369.893 0.875 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191281 852555267 /nfs/dbraw/zinc/55/52/67/852555267.db2.gz JJRXNSSIYRBJQB-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191281 852555272 /nfs/dbraw/zinc/55/52/72/852555272.db2.gz JJRXNSSIYRBJQB-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251197 852566389 /nfs/dbraw/zinc/56/63/89/852566389.db2.gz LLRUVGZVLGLSHX-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251197 852566394 /nfs/dbraw/zinc/56/63/94/852566394.db2.gz LLRUVGZVLGLSHX-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251266 852566514 /nfs/dbraw/zinc/56/65/14/852566514.db2.gz MOLTWRLPGVKJDN-USXIJHARSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251266 852566517 /nfs/dbraw/zinc/56/65/17/852566517.db2.gz MOLTWRLPGVKJDN-USXIJHARSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251988 852567013 /nfs/dbraw/zinc/56/70/13/852567013.db2.gz VVLRBAQNHNRCNO-DJIMGWMZSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251988 852567023 /nfs/dbraw/zinc/56/70/23/852567023.db2.gz VVLRBAQNHNRCNO-DJIMGWMZSA-N 2 2 350.463 0.422 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264857 852568973 /nfs/dbraw/zinc/56/89/73/852568973.db2.gz IBQUMUMZYXRWQS-BFHYXJOUSA-N 2 2 356.511 0.181 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264857 852568985 /nfs/dbraw/zinc/56/89/85/852568985.db2.gz IBQUMUMZYXRWQS-BFHYXJOUSA-N 2 2 356.511 0.181 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1O ZINC001194264857 852568988 /nfs/dbraw/zinc/56/89/88/852568988.db2.gz IBQUMUMZYXRWQS-BFHYXJOUSA-N 2 2 356.511 0.181 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)NCC3CC3)CC2)CC[N@@H+]1C ZINC001195894419 852845061 /nfs/dbraw/zinc/84/50/61/852845061.db2.gz WRFSLSGWHGLCMF-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)NCC3CC3)CC2)CC[N@H+]1C ZINC001195894419 852845067 /nfs/dbraw/zinc/84/50/67/852845067.db2.gz WRFSLSGWHGLCMF-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001195894419 852845072 /nfs/dbraw/zinc/84/50/72/852845072.db2.gz WRFSLSGWHGLCMF-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CC(=O)NCC3CC3)CC2)CC[NH+]1C ZINC001195894419 852845077 /nfs/dbraw/zinc/84/50/77/852845077.db2.gz WRFSLSGWHGLCMF-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222027 852919332 /nfs/dbraw/zinc/91/93/32/852919332.db2.gz FYFUHMWUACTMAD-RRFJBIMHSA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222027 852919335 /nfs/dbraw/zinc/91/93/35/852919335.db2.gz FYFUHMWUACTMAD-RRFJBIMHSA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222027 852919339 /nfs/dbraw/zinc/91/93/39/852919339.db2.gz FYFUHMWUACTMAD-RRFJBIMHSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N1CCC2(CC1)C(=O)N(C)CC[N@H+]2C ZINC001196667053 852994121 /nfs/dbraw/zinc/99/41/21/852994121.db2.gz KFVOLGJXPLXWBL-UHFFFAOYSA-N 2 2 369.579 0.831 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N1CCC2(CC1)C(=O)N(C)CC[N@@H+]2C ZINC001196667053 852994126 /nfs/dbraw/zinc/99/41/26/852994126.db2.gz KFVOLGJXPLXWBL-UHFFFAOYSA-N 2 2 369.579 0.831 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001196710863 853002484 /nfs/dbraw/zinc/00/24/84/853002484.db2.gz AWGBCNHPIFPRRL-AWEZNQCLSA-N 2 2 355.508 0.700 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)o1 ZINC001197048850 853052767 /nfs/dbraw/zinc/05/27/67/853052767.db2.gz HDQZYDYKHWJTFG-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C2)o1 ZINC001197048850 853052771 /nfs/dbraw/zinc/05/27/71/853052771.db2.gz HDQZYDYKHWJTFG-HUUCEWRRSA-N 2 2 352.479 0.939 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001197058688 853054145 /nfs/dbraw/zinc/05/41/45/853054145.db2.gz WSTYGFJYGXFZOU-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001197058688 853054155 /nfs/dbraw/zinc/05/41/55/853054155.db2.gz WSTYGFJYGXFZOU-HUUCEWRRSA-N 2 2 363.487 0.694 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@H]1O ZINC001198020108 853204876 /nfs/dbraw/zinc/20/48/76/853204876.db2.gz FSZCDGMIFDUDTH-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@H]1O ZINC001198020108 853204887 /nfs/dbraw/zinc/20/48/87/853204887.db2.gz FSZCDGMIFDUDTH-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OCC)n2)C[C@H]1O ZINC001198020108 853204900 /nfs/dbraw/zinc/20/49/00/853204900.db2.gz FSZCDGMIFDUDTH-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198151843 853223424 /nfs/dbraw/zinc/22/34/24/853223424.db2.gz SAAAJXLJRXJJGC-CHWSQXEVSA-N 2 2 364.368 0.391 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001198151843 853223430 /nfs/dbraw/zinc/22/34/30/853223430.db2.gz SAAAJXLJRXJJGC-CHWSQXEVSA-N 2 2 364.368 0.391 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCC1 ZINC001198291618 853245177 /nfs/dbraw/zinc/24/51/77/853245177.db2.gz DGBMKDOUVLGEBS-BRWVUGGUSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCC1 ZINC001198291618 853245186 /nfs/dbraw/zinc/24/51/86/853245186.db2.gz DGBMKDOUVLGEBS-BRWVUGGUSA-N 2 2 350.463 0.329 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848770 853335372 /nfs/dbraw/zinc/33/53/72/853335372.db2.gz VIYUEGCUJLPYNC-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848770 853335377 /nfs/dbraw/zinc/33/53/77/853335377.db2.gz VIYUEGCUJLPYNC-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848770 853335381 /nfs/dbraw/zinc/33/53/81/853335381.db2.gz VIYUEGCUJLPYNC-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@H]2O)C1 ZINC001198848770 853335386 /nfs/dbraw/zinc/33/53/86/853335386.db2.gz VIYUEGCUJLPYNC-MGPQQGTHSA-N 2 2 367.412 0.601 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001202552498 853568316 /nfs/dbraw/zinc/56/83/16/853568316.db2.gz NSQDZHMGVCCAME-ZIAGYGMSSA-N 2 2 354.476 0.149 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586103 853701934 /nfs/dbraw/zinc/70/19/34/853701934.db2.gz NTLVCEHNSUHXRF-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586103 853701939 /nfs/dbraw/zinc/70/19/39/853701939.db2.gz NTLVCEHNSUHXRF-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206586103 853701943 /nfs/dbraw/zinc/70/19/43/853701943.db2.gz NTLVCEHNSUHXRF-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206586103 853701949 /nfs/dbraw/zinc/70/19/49/853701949.db2.gz NTLVCEHNSUHXRF-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955210 853764138 /nfs/dbraw/zinc/76/41/38/853764138.db2.gz NNQLMIKJKIDYLL-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955210 853764142 /nfs/dbraw/zinc/76/41/42/853764142.db2.gz NNQLMIKJKIDYLL-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955210 853764146 /nfs/dbraw/zinc/76/41/46/853764146.db2.gz NNQLMIKJKIDYLL-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955210 853764151 /nfs/dbraw/zinc/76/41/51/853764151.db2.gz NNQLMIKJKIDYLL-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001207039488 853782895 /nfs/dbraw/zinc/78/28/95/853782895.db2.gz RGAJSAGYDDACAJ-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001207039488 853782902 /nfs/dbraw/zinc/78/29/02/853782902.db2.gz RGAJSAGYDDACAJ-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001207039488 853782910 /nfs/dbraw/zinc/78/29/10/853782910.db2.gz RGAJSAGYDDACAJ-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cn3)CC[C@@H]2C1 ZINC001207039488 853782917 /nfs/dbraw/zinc/78/29/17/853782917.db2.gz RGAJSAGYDDACAJ-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708755 853844402 /nfs/dbraw/zinc/84/44/02/853844402.db2.gz IORWAAYDDQMJMH-BZUAXINKSA-N 2 2 353.511 0.615 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708755 853844410 /nfs/dbraw/zinc/84/44/10/853844410.db2.gz IORWAAYDDQMJMH-BZUAXINKSA-N 2 2 353.511 0.615 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207708755 853844412 /nfs/dbraw/zinc/84/44/12/853844412.db2.gz IORWAAYDDQMJMH-BZUAXINKSA-N 2 2 353.511 0.615 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207708755 853844417 /nfs/dbraw/zinc/84/44/17/853844417.db2.gz IORWAAYDDQMJMH-BZUAXINKSA-N 2 2 353.511 0.615 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CC1 ZINC001207708854 853845176 /nfs/dbraw/zinc/84/51/76/853845176.db2.gz KDPGSNDMRWLPPG-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CC1 ZINC001207708854 853845178 /nfs/dbraw/zinc/84/51/78/853845178.db2.gz KDPGSNDMRWLPPG-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C1CC1 ZINC001207708854 853845181 /nfs/dbraw/zinc/84/51/81/853845181.db2.gz KDPGSNDMRWLPPG-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)C1CC1 ZINC001207708854 853845183 /nfs/dbraw/zinc/84/51/83/853845183.db2.gz KDPGSNDMRWLPPG-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447558 853935462 /nfs/dbraw/zinc/93/54/62/853935462.db2.gz KECSMJHWFFJTLZ-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447558 853935465 /nfs/dbraw/zinc/93/54/65/853935465.db2.gz KECSMJHWFFJTLZ-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209280914 854013687 /nfs/dbraw/zinc/01/36/87/854013687.db2.gz JCRAFPZGZOJJEY-HDEZJCGLSA-N 2 2 352.431 0.716 20 0 FCADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209280914 854013689 /nfs/dbraw/zinc/01/36/89/854013689.db2.gz JCRAFPZGZOJJEY-HDEZJCGLSA-N 2 2 352.431 0.716 20 0 FCADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209280915 854013761 /nfs/dbraw/zinc/01/37/61/854013761.db2.gz JCRAFPZGZOJJEY-TXCZRRACSA-N 2 2 352.431 0.716 20 0 FCADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209280915 854013763 /nfs/dbraw/zinc/01/37/63/854013763.db2.gz JCRAFPZGZOJJEY-TXCZRRACSA-N 2 2 352.431 0.716 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001209478552 854030869 /nfs/dbraw/zinc/03/08/69/854030869.db2.gz VYHZLDZLQJBSJP-UKRRQHHQSA-N 2 2 356.492 0.453 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001209478552 854030873 /nfs/dbraw/zinc/03/08/73/854030873.db2.gz VYHZLDZLQJBSJP-UKRRQHHQSA-N 2 2 356.492 0.453 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488165 854031834 /nfs/dbraw/zinc/03/18/34/854031834.db2.gz KDXHJMYIUYIWLW-BZUAXINKSA-N 2 2 354.495 0.189 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209488165 854031835 /nfs/dbraw/zinc/03/18/35/854031835.db2.gz KDXHJMYIUYIWLW-BZUAXINKSA-N 2 2 354.495 0.189 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210514262 854115642 /nfs/dbraw/zinc/11/56/42/854115642.db2.gz RMXYPGRIJKGVCD-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210514262 854115645 /nfs/dbraw/zinc/11/56/45/854115645.db2.gz RMXYPGRIJKGVCD-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210514262 854115648 /nfs/dbraw/zinc/11/56/48/854115648.db2.gz RMXYPGRIJKGVCD-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001210514262 854115650 /nfs/dbraw/zinc/11/56/50/854115650.db2.gz RMXYPGRIJKGVCD-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001211369486 854182858 /nfs/dbraw/zinc/18/28/58/854182858.db2.gz JRNHGGMMOSOPMR-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001211369486 854182863 /nfs/dbraw/zinc/18/28/63/854182863.db2.gz JRNHGGMMOSOPMR-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001211369486 854182866 /nfs/dbraw/zinc/18/28/66/854182866.db2.gz JRNHGGMMOSOPMR-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001211369486 854182871 /nfs/dbraw/zinc/18/28/71/854182871.db2.gz JRNHGGMMOSOPMR-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212027935 854337656 /nfs/dbraw/zinc/33/76/56/854337656.db2.gz GXKNVETZUFPLRT-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001212027935 854337661 /nfs/dbraw/zinc/33/76/61/854337661.db2.gz GXKNVETZUFPLRT-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001212027935 854337665 /nfs/dbraw/zinc/33/76/65/854337665.db2.gz GXKNVETZUFPLRT-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001212027935 854337670 /nfs/dbraw/zinc/33/76/70/854337670.db2.gz GXKNVETZUFPLRT-FRRDWIJNSA-N 2 2 353.385 0.475 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385157 854458728 /nfs/dbraw/zinc/45/87/28/854458728.db2.gz IBYHOPDTUQFATI-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385157 854458733 /nfs/dbraw/zinc/45/87/33/854458733.db2.gz IBYHOPDTUQFATI-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385157 854458739 /nfs/dbraw/zinc/45/87/39/854458739.db2.gz IBYHOPDTUQFATI-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385157 854458747 /nfs/dbraw/zinc/45/87/47/854458747.db2.gz IBYHOPDTUQFATI-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385088 854458990 /nfs/dbraw/zinc/45/89/90/854458990.db2.gz GNUNUBSBUNTQNH-IAGOWNOFSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385088 854458993 /nfs/dbraw/zinc/45/89/93/854458993.db2.gz GNUNUBSBUNTQNH-IAGOWNOFSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385088 854458997 /nfs/dbraw/zinc/45/89/97/854458997.db2.gz GNUNUBSBUNTQNH-IAGOWNOFSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385088 854459001 /nfs/dbraw/zinc/45/90/01/854459001.db2.gz GNUNUBSBUNTQNH-IAGOWNOFSA-N 2 2 350.463 0.974 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428219 854473914 /nfs/dbraw/zinc/47/39/14/854473914.db2.gz SIUYMHATMSLSRF-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212428219 854473919 /nfs/dbraw/zinc/47/39/19/854473919.db2.gz SIUYMHATMSLSRF-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212428219 854473926 /nfs/dbraw/zinc/47/39/26/854473926.db2.gz SIUYMHATMSLSRF-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212428219 854473934 /nfs/dbraw/zinc/47/39/34/854473934.db2.gz SIUYMHATMSLSRF-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212427977 854474360 /nfs/dbraw/zinc/47/43/60/854474360.db2.gz JKZGFHBELXXLKH-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212427977 854474361 /nfs/dbraw/zinc/47/43/61/854474361.db2.gz JKZGFHBELXXLKH-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212427977 854474362 /nfs/dbraw/zinc/47/43/62/854474362.db2.gz JKZGFHBELXXLKH-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212427977 854474363 /nfs/dbraw/zinc/47/43/63/854474363.db2.gz JKZGFHBELXXLKH-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166582 854520090 /nfs/dbraw/zinc/52/00/90/854520090.db2.gz WOKNKFCWRJERCS-RBSFLKMASA-N 2 2 351.451 0.051 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166582 854520094 /nfs/dbraw/zinc/52/00/94/854520094.db2.gz WOKNKFCWRJERCS-RBSFLKMASA-N 2 2 351.451 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376686 854594072 /nfs/dbraw/zinc/59/40/72/854594072.db2.gz BJJUNOQMLQFXRT-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376686 854594078 /nfs/dbraw/zinc/59/40/78/854594078.db2.gz BJJUNOQMLQFXRT-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378550 854594567 /nfs/dbraw/zinc/59/45/67/854594567.db2.gz WCYYFPFXILNCLP-CHWSQXEVSA-N 2 2 359.421 0.625 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378550 854594573 /nfs/dbraw/zinc/59/45/73/854594573.db2.gz WCYYFPFXILNCLP-CHWSQXEVSA-N 2 2 359.421 0.625 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001213458496 854626477 /nfs/dbraw/zinc/62/64/77/854626477.db2.gz YRSPMUPWUIKYRM-KCYZZUKISA-N 2 2 350.463 0.766 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001213458496 854626480 /nfs/dbraw/zinc/62/64/80/854626480.db2.gz YRSPMUPWUIKYRM-KCYZZUKISA-N 2 2 350.463 0.766 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213588548 854677246 /nfs/dbraw/zinc/67/72/46/854677246.db2.gz LBHXJFFGUFSPKE-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213588548 854677251 /nfs/dbraw/zinc/67/72/51/854677251.db2.gz LBHXJFFGUFSPKE-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213588548 854677261 /nfs/dbraw/zinc/67/72/61/854677261.db2.gz LBHXJFFGUFSPKE-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001213588548 854677270 /nfs/dbraw/zinc/67/72/70/854677270.db2.gz LBHXJFFGUFSPKE-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671352 854708288 /nfs/dbraw/zinc/70/82/88/854708288.db2.gz CKFLEJSQNFAJIA-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671352 854708295 /nfs/dbraw/zinc/70/82/95/854708295.db2.gz CKFLEJSQNFAJIA-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671352 854708304 /nfs/dbraw/zinc/70/83/04/854708304.db2.gz CKFLEJSQNFAJIA-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671352 854708311 /nfs/dbraw/zinc/70/83/11/854708311.db2.gz CKFLEJSQNFAJIA-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213672044 854710181 /nfs/dbraw/zinc/71/01/81/854710181.db2.gz ZPCFZABREYNIAY-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213672044 854710189 /nfs/dbraw/zinc/71/01/89/854710189.db2.gz ZPCFZABREYNIAY-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213672044 854710199 /nfs/dbraw/zinc/71/01/99/854710199.db2.gz ZPCFZABREYNIAY-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001213672044 854710208 /nfs/dbraw/zinc/71/02/08/854710208.db2.gz ZPCFZABREYNIAY-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213719200 854733629 /nfs/dbraw/zinc/73/36/29/854733629.db2.gz RSURZLVRFNDSOL-ARFHVFGLSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213719200 854733633 /nfs/dbraw/zinc/73/36/33/854733633.db2.gz RSURZLVRFNDSOL-ARFHVFGLSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001213719200 854733635 /nfs/dbraw/zinc/73/36/35/854733635.db2.gz RSURZLVRFNDSOL-ARFHVFGLSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001213719200 854733638 /nfs/dbraw/zinc/73/36/38/854733638.db2.gz RSURZLVRFNDSOL-ARFHVFGLSA-N 2 2 354.495 0.010 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213753476 854751124 /nfs/dbraw/zinc/75/11/24/854751124.db2.gz IHXYBNWPNWTFIX-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213753476 854751131 /nfs/dbraw/zinc/75/11/31/854751131.db2.gz IHXYBNWPNWTFIX-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753660 854751861 /nfs/dbraw/zinc/75/18/61/854751861.db2.gz JNJLFFWFLZPSNN-HZPDHXFCSA-N 2 2 356.511 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753660 854751864 /nfs/dbraw/zinc/75/18/64/854751864.db2.gz JNJLFFWFLZPSNN-HZPDHXFCSA-N 2 2 356.511 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860033 854795094 /nfs/dbraw/zinc/79/50/94/854795094.db2.gz QVEWJNFOHQQEAA-JHJVBQTASA-N 2 2 364.368 0.320 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860033 854795099 /nfs/dbraw/zinc/79/50/99/854795099.db2.gz QVEWJNFOHQQEAA-JHJVBQTASA-N 2 2 364.368 0.320 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929867 854830722 /nfs/dbraw/zinc/83/07/22/854830722.db2.gz OVVQYFUISKDXKA-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929867 854830731 /nfs/dbraw/zinc/83/07/31/854830731.db2.gz OVVQYFUISKDXKA-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929867 854830736 /nfs/dbraw/zinc/83/07/36/854830736.db2.gz OVVQYFUISKDXKA-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929867 854830744 /nfs/dbraw/zinc/83/07/44/854830744.db2.gz OVVQYFUISKDXKA-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974166 854850796 /nfs/dbraw/zinc/85/07/96/854850796.db2.gz LBQHXCACRUFZTD-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974166 854850800 /nfs/dbraw/zinc/85/08/00/854850800.db2.gz LBQHXCACRUFZTD-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001214531241 854963977 /nfs/dbraw/zinc/96/39/77/854963977.db2.gz UMHUOJQCIDKMGJ-VXGBXAGGSA-N 2 2 362.459 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214811922 855016511 /nfs/dbraw/zinc/01/65/11/855016511.db2.gz JXBCFXLDDIJRFD-ZYHUDNBSSA-N 2 2 361.368 0.457 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001214811922 855016516 /nfs/dbraw/zinc/01/65/16/855016516.db2.gz JXBCFXLDDIJRFD-ZYHUDNBSSA-N 2 2 361.368 0.457 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814496 855017973 /nfs/dbraw/zinc/01/79/73/855017973.db2.gz XYKPIHKIHQJCKU-UKRRQHHQSA-N 2 2 356.492 0.604 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814496 855017979 /nfs/dbraw/zinc/01/79/79/855017979.db2.gz XYKPIHKIHQJCKU-UKRRQHHQSA-N 2 2 356.492 0.604 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214813877 855018019 /nfs/dbraw/zinc/01/80/19/855018019.db2.gz ARWDLTKTMVOWNN-UKRRQHHQSA-N 2 2 350.467 0.486 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214813877 855018023 /nfs/dbraw/zinc/01/80/23/855018023.db2.gz ARWDLTKTMVOWNN-UKRRQHHQSA-N 2 2 350.467 0.486 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024973 855054049 /nfs/dbraw/zinc/05/40/49/855054049.db2.gz TVZIUEWCHBCVHK-IUODEOHRSA-N 2 2 351.451 0.311 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001215455866 855117168 /nfs/dbraw/zinc/11/71/68/855117168.db2.gz HHKXSXISJWXOOK-SYFQBEIISA-N 2 2 353.854 0.646 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001215455866 855117170 /nfs/dbraw/zinc/11/71/70/855117170.db2.gz HHKXSXISJWXOOK-SYFQBEIISA-N 2 2 353.854 0.646 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706187 855138037 /nfs/dbraw/zinc/13/80/37/855138037.db2.gz YPCPZPBWOBDKER-RBSFLKMASA-N 2 2 371.507 0.210 20 0 FCADLP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005413 855389841 /nfs/dbraw/zinc/38/98/41/855389841.db2.gz FQXHUTOKOKHJNQ-MRVPVSSYSA-N 2 2 360.361 0.137 20 0 FCADLP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001218449091 855427038 /nfs/dbraw/zinc/42/70/38/855427038.db2.gz VSJFTVGGTTXIRI-YESZJQIVSA-N 2 2 355.479 0.045 20 0 FCADLP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001218449091 855427040 /nfs/dbraw/zinc/42/70/40/855427040.db2.gz VSJFTVGGTTXIRI-YESZJQIVSA-N 2 2 355.479 0.045 20 0 FCADLP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001218449091 855427042 /nfs/dbraw/zinc/42/70/42/855427042.db2.gz VSJFTVGGTTXIRI-YESZJQIVSA-N 2 2 355.479 0.045 20 0 FCADLP COCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001218449091 855427045 /nfs/dbraw/zinc/42/70/45/855427045.db2.gz VSJFTVGGTTXIRI-YESZJQIVSA-N 2 2 355.479 0.045 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001218543180 855436261 /nfs/dbraw/zinc/43/62/61/855436261.db2.gz NQJJRSDXHLCSOA-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001218543180 855436266 /nfs/dbraw/zinc/43/62/66/855436266.db2.gz NQJJRSDXHLCSOA-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581337 855443499 /nfs/dbraw/zinc/44/34/99/855443499.db2.gz BTLGEAROYWCYBF-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581337 855443503 /nfs/dbraw/zinc/44/35/03/855443503.db2.gz BTLGEAROYWCYBF-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218751976 855474175 /nfs/dbraw/zinc/47/41/75/855474175.db2.gz CTHXUVKSGKLJHN-HYVNUMGLSA-N 2 2 350.463 0.927 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218751976 855474184 /nfs/dbraw/zinc/47/41/84/855474184.db2.gz CTHXUVKSGKLJHN-HYVNUMGLSA-N 2 2 350.463 0.927 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819796 855482187 /nfs/dbraw/zinc/48/21/87/855482187.db2.gz OXVSIGRZHGDIHZ-HRCADAONSA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819796 855482189 /nfs/dbraw/zinc/48/21/89/855482189.db2.gz OXVSIGRZHGDIHZ-HRCADAONSA-N 2 2 354.495 0.284 20 0 FCADLP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001218879808 855490495 /nfs/dbraw/zinc/49/04/95/855490495.db2.gz IJOHVNWVYGSDON-GFCCVEGCSA-N 2 2 352.385 0.915 20 0 FCADLP CC(C)NS(=O)(=O)c1ccccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218894323 855492837 /nfs/dbraw/zinc/49/28/37/855492837.db2.gz MNUMADFYGDPAPZ-UHFFFAOYSA-N 2 2 354.476 0.653 20 0 FCADLP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218895006 855493151 /nfs/dbraw/zinc/49/31/51/855493151.db2.gz YVNHQTJXNYSYAY-GFCCVEGCSA-N 2 2 351.432 0.605 20 0 FCADLP Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]([NH3+])CCC[NH3+])c2nccs2)cc1 ZINC001218949911 855501732 /nfs/dbraw/zinc/50/17/32/855501732.db2.gz POQJVFZONRZZPO-LBPRGKRZSA-N 2 2 369.472 0.513 20 0 FCADLP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218965808 855504147 /nfs/dbraw/zinc/50/41/47/855504147.db2.gz UOPYOVCNRGLFNR-DLBZAZTESA-N 2 2 350.463 0.691 20 0 FCADLP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218965808 855504153 /nfs/dbraw/zinc/50/41/53/855504153.db2.gz UOPYOVCNRGLFNR-DLBZAZTESA-N 2 2 350.463 0.691 20 0 FCADLP [NH3+]C1(C(=O)Nc2ccc(CS(=O)(=O)N3CCCC3)cc2)CC[NH2+]CC1 ZINC001218980264 855505505 /nfs/dbraw/zinc/50/55/05/855505505.db2.gz BKOJFGAJMSXJLE-UHFFFAOYSA-N 2 2 366.487 0.632 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218981719 855506351 /nfs/dbraw/zinc/50/63/51/855506351.db2.gz RSTJCGWKNLDQOG-GJZGRUSLSA-N 2 2 352.460 0.097 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1)OC ZINC001219067278 855535021 /nfs/dbraw/zinc/53/50/21/855535021.db2.gz OSDWTOHVCWQQOX-IXDOHACOSA-N 2 2 350.463 1.000 20 0 FCADLP CC[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1)OC ZINC001219067278 855535027 /nfs/dbraw/zinc/53/50/27/855535027.db2.gz OSDWTOHVCWQQOX-IXDOHACOSA-N 2 2 350.463 1.000 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219551045 855710931 /nfs/dbraw/zinc/71/09/31/855710931.db2.gz PDLLUMUERFPDGB-OAGGEKHMSA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001219551045 855710933 /nfs/dbraw/zinc/71/09/33/855710933.db2.gz PDLLUMUERFPDGB-OAGGEKHMSA-N 2 2 350.463 0.445 20 0 FCADLP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001219694229 855774841 /nfs/dbraw/zinc/77/48/41/855774841.db2.gz HLQSQLXSACPBNZ-CVEARBPZSA-N 2 2 353.488 0.703 20 0 FCADLP COc1ccc(CSC[C@H]([NH3+])C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001219694229 855774844 /nfs/dbraw/zinc/77/48/44/855774844.db2.gz HLQSQLXSACPBNZ-CVEARBPZSA-N 2 2 353.488 0.703 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)O1 ZINC001219867221 855854283 /nfs/dbraw/zinc/85/42/83/855854283.db2.gz JJXZOHLOCIMFMI-YIYPIFLZSA-N 2 2 367.412 0.599 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)O1 ZINC001219867221 855854289 /nfs/dbraw/zinc/85/42/89/855854289.db2.gz JJXZOHLOCIMFMI-YIYPIFLZSA-N 2 2 367.412 0.599 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2O)O1 ZINC001219867221 855854291 /nfs/dbraw/zinc/85/42/91/855854291.db2.gz JJXZOHLOCIMFMI-YIYPIFLZSA-N 2 2 367.412 0.599 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2O)O1 ZINC001219867221 855854295 /nfs/dbraw/zinc/85/42/95/855854295.db2.gz JJXZOHLOCIMFMI-YIYPIFLZSA-N 2 2 367.412 0.599 20 0 FCADLP Cc1nn(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(C)c1Br ZINC001219997093 855911314 /nfs/dbraw/zinc/91/13/14/855911314.db2.gz LNRJCQNCRKJMNN-NSHDSACASA-N 2 2 355.240 0.672 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1F ZINC001220231074 856023289 /nfs/dbraw/zinc/02/32/89/856023289.db2.gz YWSHSWNAQOQOSN-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1F ZINC001220231074 856023300 /nfs/dbraw/zinc/02/33/00/856023300.db2.gz YWSHSWNAQOQOSN-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP [NH3+]C1(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]CC1 ZINC001220266038 856035808 /nfs/dbraw/zinc/03/58/08/856035808.db2.gz GITMPMZKIVFRCO-UHFFFAOYSA-N 2 2 366.487 0.037 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1Cl ZINC001220276698 856040614 /nfs/dbraw/zinc/04/06/14/856040614.db2.gz IPPKJDMWDJHZAJ-KGLIPLIRSA-N 2 2 355.866 0.962 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1Cl ZINC001220276698 856040618 /nfs/dbraw/zinc/04/06/18/856040618.db2.gz IPPKJDMWDJHZAJ-KGLIPLIRSA-N 2 2 355.866 0.962 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1O)C2 ZINC001220355088 856080441 /nfs/dbraw/zinc/08/04/41/856080441.db2.gz CITLLLNCGVAUMM-UAGQMJEPSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O)C2 ZINC001220355088 856080446 /nfs/dbraw/zinc/08/04/46/856080446.db2.gz CITLLLNCGVAUMM-UAGQMJEPSA-N 2 2 350.463 0.340 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O)CC(C)(C)C ZINC001220369262 856088052 /nfs/dbraw/zinc/08/80/52/856088052.db2.gz DHDPWBQNKOKJSH-CABCVRRESA-N 2 2 371.913 0.676 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O)CC(C)(C)C ZINC001220369262 856088057 /nfs/dbraw/zinc/08/80/57/856088057.db2.gz DHDPWBQNKOKJSH-CABCVRRESA-N 2 2 371.913 0.676 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)CC(C)(C)C ZINC001220369262 856088060 /nfs/dbraw/zinc/08/80/60/856088060.db2.gz DHDPWBQNKOKJSH-CABCVRRESA-N 2 2 371.913 0.676 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)CC(C)(C)C ZINC001220369262 856088062 /nfs/dbraw/zinc/08/80/62/856088062.db2.gz DHDPWBQNKOKJSH-CABCVRRESA-N 2 2 371.913 0.676 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220572606 856190228 /nfs/dbraw/zinc/19/02/28/856190228.db2.gz CHJBTPDRXYQWKP-IKGGRYGDSA-N 2 2 351.495 0.448 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220572606 856190231 /nfs/dbraw/zinc/19/02/31/856190231.db2.gz CHJBTPDRXYQWKP-IKGGRYGDSA-N 2 2 351.495 0.448 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220772200 856292321 /nfs/dbraw/zinc/29/23/21/856292321.db2.gz KMSZJLTWMXIYBS-LSDHHAIUSA-N 3 2 353.467 0.116 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798520 856307051 /nfs/dbraw/zinc/30/70/51/856307051.db2.gz AFOASKVMJJOMNV-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798520 856307065 /nfs/dbraw/zinc/30/70/65/856307065.db2.gz AFOASKVMJJOMNV-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821737 856323016 /nfs/dbraw/zinc/32/30/16/856323016.db2.gz FQWSPUWGBPQARD-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821737 856323023 /nfs/dbraw/zinc/32/30/23/856323023.db2.gz FQWSPUWGBPQARD-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821737 856323034 /nfs/dbraw/zinc/32/30/34/856323034.db2.gz FQWSPUWGBPQARD-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821737 856323050 /nfs/dbraw/zinc/32/30/50/856323050.db2.gz FQWSPUWGBPQARD-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220826186 856327790 /nfs/dbraw/zinc/32/77/90/856327790.db2.gz RAXXBIMEUZCWLH-CABCVRRESA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220826186 856327797 /nfs/dbraw/zinc/32/77/97/856327797.db2.gz RAXXBIMEUZCWLH-CABCVRRESA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220826186 856327801 /nfs/dbraw/zinc/32/78/01/856327801.db2.gz RAXXBIMEUZCWLH-CABCVRRESA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220826186 856327809 /nfs/dbraw/zinc/32/78/09/856327809.db2.gz RAXXBIMEUZCWLH-CABCVRRESA-N 2 2 356.511 0.184 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091373 856458238 /nfs/dbraw/zinc/45/82/38/856458238.db2.gz LXZVAWMDBCPOTI-YCPHGPKFSA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091373 856458242 /nfs/dbraw/zinc/45/82/42/856458242.db2.gz LXZVAWMDBCPOTI-YCPHGPKFSA-N 2 2 363.449 0.550 20 0 FCADLP NC(=[NH2+])N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(=O)C1([NH3+])CC1 ZINC001221341141 856552707 /nfs/dbraw/zinc/55/27/07/856552707.db2.gz ONNDQCXNFGUAEQ-ZDUSSCGKSA-N 3 2 363.487 0.767 20 0 FCADLP C[C@@H]([NH3+])C(=O)N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341644 856552916 /nfs/dbraw/zinc/55/29/16/856552916.db2.gz VYNMJVRGFZCCSV-YPMHNXCESA-N 3 2 351.476 0.623 20 0 FCADLP C[C@@H](N)C(=O)N(CCC[C@H]([NH3+])C(=O)SCc1ccccc1)C(N)=[NH2+] ZINC001221341644 856552921 /nfs/dbraw/zinc/55/29/21/856552921.db2.gz VYNMJVRGFZCCSV-YPMHNXCESA-N 2 2 351.476 0.623 20 0 FCADLP COCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410986 856560572 /nfs/dbraw/zinc/56/05/72/856560572.db2.gz CRCGQAOBKKFBJC-JYJNAYRXSA-N 3 2 354.882 0.765 20 0 FCADLP COCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410986 856560577 /nfs/dbraw/zinc/56/05/77/856560577.db2.gz CRCGQAOBKKFBJC-JYJNAYRXSA-N 3 2 354.882 0.765 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cnc1OC ZINC001279292383 862815193 /nfs/dbraw/zinc/81/51/93/862815193.db2.gz MZYDKWKCDBUBML-WBVHZDCISA-N 2 2 350.463 0.545 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cnc1OC ZINC001279292383 862815209 /nfs/dbraw/zinc/81/52/09/862815209.db2.gz MZYDKWKCDBUBML-WBVHZDCISA-N 2 2 350.463 0.545 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001221641518 856634797 /nfs/dbraw/zinc/63/47/97/856634797.db2.gz SYWUBTBSYRSTIX-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001221641518 856634801 /nfs/dbraw/zinc/63/48/01/856634801.db2.gz SYWUBTBSYRSTIX-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001221949920 856746228 /nfs/dbraw/zinc/74/62/28/856746228.db2.gz NEQJHIWUXUHXLI-ARFHVFGLSA-N 2 2 369.531 0.296 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)CS(C)(=O)=O ZINC001221949920 856746234 /nfs/dbraw/zinc/74/62/34/856746234.db2.gz NEQJHIWUXUHXLI-ARFHVFGLSA-N 2 2 369.531 0.296 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949908 856746311 /nfs/dbraw/zinc/74/63/11/856746311.db2.gz MMJRVPHOQNVLST-HZPDHXFCSA-N 2 2 369.531 0.440 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949908 856746318 /nfs/dbraw/zinc/74/63/18/856746318.db2.gz MMJRVPHOQNVLST-HZPDHXFCSA-N 2 2 369.531 0.440 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972978 856753831 /nfs/dbraw/zinc/75/38/31/856753831.db2.gz SEVSJURRDJOKMM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972978 856753842 /nfs/dbraw/zinc/75/38/42/856753842.db2.gz SEVSJURRDJOKMM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972978 856753851 /nfs/dbraw/zinc/75/38/51/856753851.db2.gz SEVSJURRDJOKMM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972978 856753861 /nfs/dbraw/zinc/75/38/61/856753861.db2.gz SEVSJURRDJOKMM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972829 856755004 /nfs/dbraw/zinc/75/50/04/856755004.db2.gz LMUVLHYXIHHLLT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972829 856755013 /nfs/dbraw/zinc/75/50/13/856755013.db2.gz LMUVLHYXIHHLLT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972829 856755025 /nfs/dbraw/zinc/75/50/25/856755025.db2.gz LMUVLHYXIHHLLT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972829 856755033 /nfs/dbraw/zinc/75/50/33/856755033.db2.gz LMUVLHYXIHHLLT-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018146 856768930 /nfs/dbraw/zinc/76/89/30/856768930.db2.gz PFWKBBSIFQDAIO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018146 856768926 /nfs/dbraw/zinc/76/89/26/856768926.db2.gz PFWKBBSIFQDAIO-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018293 856770242 /nfs/dbraw/zinc/77/02/42/856770242.db2.gz WAHBQLXTQGFSMX-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018293 856770246 /nfs/dbraw/zinc/77/02/46/856770246.db2.gz WAHBQLXTQGFSMX-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001222049585 856783746 /nfs/dbraw/zinc/78/37/46/856783746.db2.gz GYPUNTVPMMOEIE-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001222049585 856783752 /nfs/dbraw/zinc/78/37/52/856783752.db2.gz GYPUNTVPMMOEIE-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001222049585 856783754 /nfs/dbraw/zinc/78/37/54/856783754.db2.gz GYPUNTVPMMOEIE-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001222049585 856783761 /nfs/dbraw/zinc/78/37/61/856783761.db2.gz GYPUNTVPMMOEIE-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001222050181 856783889 /nfs/dbraw/zinc/78/38/89/856783889.db2.gz VYZSKXRMIAIHFK-IAGOWNOFSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001222050181 856783896 /nfs/dbraw/zinc/78/38/96/856783896.db2.gz VYZSKXRMIAIHFK-IAGOWNOFSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001222050181 856783903 /nfs/dbraw/zinc/78/39/03/856783903.db2.gz VYZSKXRMIAIHFK-IAGOWNOFSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001222050181 856783911 /nfs/dbraw/zinc/78/39/11/856783911.db2.gz VYZSKXRMIAIHFK-IAGOWNOFSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)CS(C)(=O)=O ZINC001223572728 856927858 /nfs/dbraw/zinc/92/78/58/856927858.db2.gz QJHBNTSHTGHSIJ-LZWOXQAQSA-N 2 2 368.503 0.556 20 0 FCADLP C[C@@H](C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)CS(C)(=O)=O ZINC001223572728 856927865 /nfs/dbraw/zinc/92/78/65/856927865.db2.gz QJHBNTSHTGHSIJ-LZWOXQAQSA-N 2 2 368.503 0.556 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)no1 ZINC001223916739 856951100 /nfs/dbraw/zinc/95/11/00/856951100.db2.gz OBGLAFNVTILNMP-WBVHZDCISA-N 2 2 350.463 0.984 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)no1 ZINC001223916739 856951105 /nfs/dbraw/zinc/95/11/05/856951105.db2.gz OBGLAFNVTILNMP-WBVHZDCISA-N 2 2 350.463 0.984 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001224000710 856955944 /nfs/dbraw/zinc/95/59/44/856955944.db2.gz XQFGCWITGNFSGQ-WBVHZDCISA-N 2 2 350.463 0.846 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001224000710 856955951 /nfs/dbraw/zinc/95/59/51/856955951.db2.gz XQFGCWITGNFSGQ-WBVHZDCISA-N 2 2 350.463 0.846 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227847766 857179664 /nfs/dbraw/zinc/17/96/64/857179664.db2.gz BGKNOLQXFGGQDT-HUUCEWRRSA-N 2 2 371.507 0.230 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141743 857253494 /nfs/dbraw/zinc/25/34/94/857253494.db2.gz KAHUCTNMERRUAV-HUUCEWRRSA-N 2 2 350.467 0.054 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C)CS(C)(=O)=O ZINC001229692825 857281837 /nfs/dbraw/zinc/28/18/37/857281837.db2.gz KPMZSZYPBYOBQM-FVQBIDKESA-N 2 2 370.519 0.660 20 0 FCADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344539 857326960 /nfs/dbraw/zinc/32/69/60/857326960.db2.gz YZHUFGWIUCSKJR-HUUCEWRRSA-N 2 2 371.507 0.230 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348124 857327961 /nfs/dbraw/zinc/32/79/61/857327961.db2.gz VHMSQXWHSXZZFT-HUUCEWRRSA-N 2 2 371.507 0.230 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(=O)OC)[nH]3)CC[C@@H]2C1 ZINC001232074769 857368577 /nfs/dbraw/zinc/36/85/77/857368577.db2.gz FKZDSCUUGGGYFV-RHSMWYFYSA-N 2 2 351.447 0.970 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(=O)OC)[nH]3)CC[C@@H]2C1 ZINC001232074769 857368582 /nfs/dbraw/zinc/36/85/82/857368582.db2.gz FKZDSCUUGGGYFV-RHSMWYFYSA-N 2 2 351.447 0.970 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C(=O)OC)[nH]3)CC[C@@H]2C1 ZINC001232074769 857368588 /nfs/dbraw/zinc/36/85/88/857368588.db2.gz FKZDSCUUGGGYFV-RHSMWYFYSA-N 2 2 351.447 0.970 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C(=O)OC)[nH]3)CC[C@@H]2C1 ZINC001232074769 857368595 /nfs/dbraw/zinc/36/85/95/857368595.db2.gz FKZDSCUUGGGYFV-RHSMWYFYSA-N 2 2 351.447 0.970 20 0 FCADLP CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235576039 857428465 /nfs/dbraw/zinc/42/84/65/857428465.db2.gz VNZABTHZYVPHPR-RVKKMQEKSA-N 2 2 355.479 0.439 20 0 FCADLP CN(C)C(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235576039 857428469 /nfs/dbraw/zinc/42/84/69/857428469.db2.gz VNZABTHZYVPHPR-RVKKMQEKSA-N 2 2 355.479 0.439 20 0 FCADLP COC(=O)[C@@]1(NS(=O)(=O)CC[NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC001238593735 857473807 /nfs/dbraw/zinc/47/38/07/857473807.db2.gz DBOTVTKUZVFVHQ-MRXNPFEDSA-N 2 2 355.460 0.072 20 0 FCADLP COC(=O)[C@@]1(NS(=O)(=O)CC[NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC001238593735 857473810 /nfs/dbraw/zinc/47/38/10/857473810.db2.gz DBOTVTKUZVFVHQ-MRXNPFEDSA-N 2 2 355.460 0.072 20 0 FCADLP CC(C)(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001238809183 857480280 /nfs/dbraw/zinc/48/02/80/857480280.db2.gz YLPHGFYYURSBLZ-UHFFFAOYSA-N 2 2 359.536 0.985 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001238840088 857483602 /nfs/dbraw/zinc/48/36/02/857483602.db2.gz ZNUFLDGLSLKYGF-UHFFFAOYSA-N 2 2 350.444 0.487 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501280 862918653 /nfs/dbraw/zinc/91/86/53/862918653.db2.gz DTYDGYUAZZDSST-SJORKVTESA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1 ZINC001279501280 862918657 /nfs/dbraw/zinc/91/86/57/862918657.db2.gz DTYDGYUAZZDSST-SJORKVTESA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001279501280 862918668 /nfs/dbraw/zinc/91/86/68/862918668.db2.gz DTYDGYUAZZDSST-SJORKVTESA-N 2 2 374.551 0.301 20 0 FCADLP CN(C)S(=O)(=O)N1CCO[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001279501280 862918677 /nfs/dbraw/zinc/91/86/77/862918677.db2.gz DTYDGYUAZZDSST-SJORKVTESA-N 2 2 374.551 0.301 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502318 862919035 /nfs/dbraw/zinc/91/90/35/862919035.db2.gz PQMSEARETWWRQJ-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502318 862919046 /nfs/dbraw/zinc/91/90/46/862919046.db2.gz PQMSEARETWWRQJ-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502318 862919059 /nfs/dbraw/zinc/91/90/59/862919059.db2.gz PQMSEARETWWRQJ-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)NCC(F)(F)F)C1 ZINC001279502318 862919074 /nfs/dbraw/zinc/91/90/74/862919074.db2.gz PQMSEARETWWRQJ-MCIONIFRSA-N 2 2 364.412 0.985 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC001239077745 857507454 /nfs/dbraw/zinc/50/74/54/857507454.db2.gz MYVUZFFBCWARMO-AWEZNQCLSA-N 2 2 360.430 0.908 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C[C@@H]4CCC[NH+](C)C4)[C@@H]3C2)c1 ZINC001279502043 862919793 /nfs/dbraw/zinc/91/97/93/862919793.db2.gz MHGSMEQHKCAEPB-OWCLPIDISA-N 2 2 367.519 0.457 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C[C@@H]4CCC[NH+](C)C4)[C@@H]3C2)c1 ZINC001279502043 862919801 /nfs/dbraw/zinc/91/98/01/862919801.db2.gz MHGSMEQHKCAEPB-OWCLPIDISA-N 2 2 367.519 0.457 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[NH+](C[C@@H]4CCC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001279502043 862919813 /nfs/dbraw/zinc/91/98/13/862919813.db2.gz MHGSMEQHKCAEPB-OWCLPIDISA-N 2 2 367.519 0.457 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[NH+](C[C@@H]4CCC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001279502043 862919819 /nfs/dbraw/zinc/91/98/19/862919819.db2.gz MHGSMEQHKCAEPB-OWCLPIDISA-N 2 2 367.519 0.457 20 0 FCADLP S=C(NCc1ccccc1Cl)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438845 857528392 /nfs/dbraw/zinc/52/83/92/857528392.db2.gz POHZXGDEKYTECJ-UHFFFAOYSA-N 2 2 355.939 0.799 20 0 FCADLP COc1cc(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)cc(OC)c1 ZINC001239437990 857529082 /nfs/dbraw/zinc/52/90/82/857529082.db2.gz ATZFPKISWQUDIQ-UHFFFAOYSA-N 2 2 367.519 0.485 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCSCc2csc(C[NH+](C)C)n2)CN1 ZINC001246218019 857571652 /nfs/dbraw/zinc/57/16/52/857571652.db2.gz YLBQIVBXLOUURB-YPMHNXCESA-N 2 2 358.533 0.931 20 0 FCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699265 857592411 /nfs/dbraw/zinc/59/24/11/857592411.db2.gz ZLQOJQFDTQPBBU-ZWKOTPCHSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699265 857592419 /nfs/dbraw/zinc/59/24/19/857592419.db2.gz ZLQOJQFDTQPBBU-ZWKOTPCHSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699265 857592425 /nfs/dbraw/zinc/59/24/25/857592425.db2.gz ZLQOJQFDTQPBBU-ZWKOTPCHSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699265 857592430 /nfs/dbraw/zinc/59/24/30/857592430.db2.gz ZLQOJQFDTQPBBU-ZWKOTPCHSA-N 3 2 352.523 0.141 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751423 857598557 /nfs/dbraw/zinc/59/85/57/857598557.db2.gz PIGFBOIPNIBTBK-DLBZAZTESA-N 3 2 352.523 0.630 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751423 857598564 /nfs/dbraw/zinc/59/85/64/857598564.db2.gz PIGFBOIPNIBTBK-DLBZAZTESA-N 3 2 352.523 0.630 20 0 FCADLP CCOC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007266 857609130 /nfs/dbraw/zinc/60/91/30/857609130.db2.gz KBJZTCVMWSVUGH-SUNYJGFJSA-N 2 2 353.463 0.145 20 0 FCADLP C[NH+]1CCN(c2ccc(F)cc2NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251027394 857685474 /nfs/dbraw/zinc/68/54/74/857685474.db2.gz ORMTWVHKWRJKQI-MRXNPFEDSA-N 2 2 352.454 0.683 20 0 FCADLP C[NH+]1CCN(c2c(F)cccc2NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251032578 857687372 /nfs/dbraw/zinc/68/73/72/857687372.db2.gz XJRGJNGWQQZGKK-HNNXBMFYSA-N 2 2 352.454 0.683 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)COc1ccc(F)cc1)NCCc1c[nH]c[nH+]1 ZINC001251945809 857769682 /nfs/dbraw/zinc/76/96/82/857769682.db2.gz AKKUTDXBKBCSFM-HNNXBMFYSA-N 2 2 350.394 0.627 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)COc1ccc(F)cc1)NCCc1c[nH+]c[nH]1 ZINC001251945809 857769683 /nfs/dbraw/zinc/76/96/83/857769683.db2.gz AKKUTDXBKBCSFM-HNNXBMFYSA-N 2 2 350.394 0.627 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001251932852 857770265 /nfs/dbraw/zinc/77/02/65/857770265.db2.gz OVYMGKBKPBEODO-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001251932852 857770274 /nfs/dbraw/zinc/77/02/74/857770274.db2.gz OVYMGKBKPBEODO-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)C1 ZINC001255677045 858028559 /nfs/dbraw/zinc/02/85/59/858028559.db2.gz KQPFSTKATMQDTG-SWDXFRIISA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)C1 ZINC001255677045 858028565 /nfs/dbraw/zinc/02/85/65/858028565.db2.gz KQPFSTKATMQDTG-SWDXFRIISA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001255677045 858028569 /nfs/dbraw/zinc/02/85/69/858028569.db2.gz KQPFSTKATMQDTG-SWDXFRIISA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001255677045 858028577 /nfs/dbraw/zinc/02/85/77/858028577.db2.gz KQPFSTKATMQDTG-SWDXFRIISA-N 2 2 351.491 0.951 20 0 FCADLP O=C1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1C1CCOCC1 ZINC001256698962 858096486 /nfs/dbraw/zinc/09/64/86/858096486.db2.gz UOZTTZYBAWPLKU-UHFFFAOYSA-N 2 2 351.491 0.953 20 0 FCADLP O=C1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1C1CCOCC1 ZINC001256698962 858096492 /nfs/dbraw/zinc/09/64/92/858096492.db2.gz UOZTTZYBAWPLKU-UHFFFAOYSA-N 2 2 351.491 0.953 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001257235234 858129708 /nfs/dbraw/zinc/12/97/08/858129708.db2.gz VNCQSVHTZLFHGH-HZPDHXFCSA-N 2 2 364.515 0.869 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCCS(C)(=O)=O)C3)CC2)CC[N@@H+]1C ZINC001270844420 859855557 /nfs/dbraw/zinc/85/55/57/859855557.db2.gz DLYILWQXKKCXDY-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCCS(C)(=O)=O)C3)CC2)CC[N@H+]1C ZINC001270844420 859855567 /nfs/dbraw/zinc/85/55/67/859855567.db2.gz DLYILWQXKKCXDY-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP Cc1nc(C)c(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)s1 ZINC001272520390 860174154 /nfs/dbraw/zinc/17/41/54/860174154.db2.gz HVTILNWNQSQAQL-MGPQQGTHSA-N 2 2 363.487 0.864 20 0 FCADLP COCc1noc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)n1 ZINC001273084600 860368638 /nfs/dbraw/zinc/36/86/38/860368638.db2.gz UVTCXVNZYWDWAG-CHWSQXEVSA-N 2 2 351.451 0.685 20 0 FCADLP COCc1noc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)n1 ZINC001273084600 860368641 /nfs/dbraw/zinc/36/86/41/860368641.db2.gz UVTCXVNZYWDWAG-CHWSQXEVSA-N 2 2 351.451 0.685 20 0 FCADLP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@H+](C)CCO3)(C1)CCC2 ZINC001273216252 860411439 /nfs/dbraw/zinc/41/14/39/860411439.db2.gz GFVUBWDGUWGHOK-RYQLBKOJSA-N 2 2 355.479 0.489 20 0 FCADLP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@@H+](C)CCO3)(C1)CCC2 ZINC001273216252 860411446 /nfs/dbraw/zinc/41/14/46/860411446.db2.gz GFVUBWDGUWGHOK-RYQLBKOJSA-N 2 2 355.479 0.489 20 0 FCADLP CC(C)NC(=O)N1CC2(C1)CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC001280074607 863246964 /nfs/dbraw/zinc/24/69/64/863246964.db2.gz MNZYWPSMGKWTEJ-UHFFFAOYSA-N 2 2 351.495 0.276 20 0 FCADLP CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC001280074607 863246973 /nfs/dbraw/zinc/24/69/73/863246973.db2.gz MNZYWPSMGKWTEJ-UHFFFAOYSA-N 2 2 351.495 0.276 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280081537 863251469 /nfs/dbraw/zinc/25/14/69/863251469.db2.gz UFZXDOUZLIXTKI-FGTMMUONSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280081537 863251485 /nfs/dbraw/zinc/25/14/85/863251485.db2.gz UFZXDOUZLIXTKI-FGTMMUONSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280188672 863318265 /nfs/dbraw/zinc/31/82/65/863318265.db2.gz IPZXZSXYKMDRKX-IXDOHACOSA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280188672 863318287 /nfs/dbraw/zinc/31/82/87/863318287.db2.gz IPZXZSXYKMDRKX-IXDOHACOSA-N 2 2 351.491 0.401 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC3(C[NH+](C[C@H]4CCCO4)C3)O2)CC1 ZINC001280191917 863321840 /nfs/dbraw/zinc/32/18/40/863321840.db2.gz IPIBAZZGMZCEDG-SJORKVTESA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccco1 ZINC001349064038 866221251 /nfs/dbraw/zinc/22/12/51/866221251.db2.gz CXUHEOXOVJSVQL-CQSZACIVSA-N 2 2 352.435 0.630 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccco1 ZINC001349064038 866221258 /nfs/dbraw/zinc/22/12/58/866221258.db2.gz CXUHEOXOVJSVQL-CQSZACIVSA-N 2 2 352.435 0.630 20 0 FCADLP O=C1C[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CN1C1CC1 ZINC001349567686 866381229 /nfs/dbraw/zinc/38/12/29/866381229.db2.gz BFOABLSHJZFNIM-INIZCTEOSA-N 2 2 350.507 0.384 20 0 FCADLP O=C1C[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CN1C1CC1 ZINC001349567686 866381250 /nfs/dbraw/zinc/38/12/50/866381250.db2.gz BFOABLSHJZFNIM-INIZCTEOSA-N 2 2 350.507 0.384 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001351213717 866814780 /nfs/dbraw/zinc/81/47/80/866814780.db2.gz UFWJWNICCRAJCN-USXIJHARSA-N 2 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001351213717 866814792 /nfs/dbraw/zinc/81/47/92/866814792.db2.gz UFWJWNICCRAJCN-USXIJHARSA-N 2 2 353.511 0.173 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001351421362 866856959 /nfs/dbraw/zinc/85/69/59/866856959.db2.gz NLIJUPFFYLWVGN-MRXNPFEDSA-N 2 2 352.479 0.751 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001351421362 866856974 /nfs/dbraw/zinc/85/69/74/866856974.db2.gz NLIJUPFFYLWVGN-MRXNPFEDSA-N 2 2 352.479 0.751 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001351421362 866856991 /nfs/dbraw/zinc/85/69/91/866856991.db2.gz NLIJUPFFYLWVGN-MRXNPFEDSA-N 2 2 352.479 0.751 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001351421362 866857010 /nfs/dbraw/zinc/85/70/10/866857010.db2.gz NLIJUPFFYLWVGN-MRXNPFEDSA-N 2 2 352.479 0.751 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001318895075 867773956 /nfs/dbraw/zinc/77/39/56/867773956.db2.gz TXVYZMXVPKVSOX-UKRRQHHQSA-N 2 2 360.524 0.277 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001318895075 867773965 /nfs/dbraw/zinc/77/39/65/867773965.db2.gz TXVYZMXVPKVSOX-UKRRQHHQSA-N 2 2 360.524 0.277 20 0 FCADLP CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001326415727 870305146 /nfs/dbraw/zinc/30/51/46/870305146.db2.gz PZDDJQUPIDQKFP-FZNQNYSPSA-N 2 2 354.495 0.155 20 0 FCADLP CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001326415727 870305168 /nfs/dbraw/zinc/30/51/68/870305168.db2.gz PZDDJQUPIDQKFP-FZNQNYSPSA-N 2 2 354.495 0.155 20 0 FCADLP CCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326572078 870387722 /nfs/dbraw/zinc/38/77/22/870387722.db2.gz MDBINPUSDNENAN-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326572078 870387739 /nfs/dbraw/zinc/38/77/39/870387739.db2.gz MDBINPUSDNENAN-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001327395878 870838375 /nfs/dbraw/zinc/83/83/75/870838375.db2.gz COQJTIWRGITGRS-UHFFFAOYSA-N 2 2 356.492 0.597 20 0 FCADLP CC(C)[C@@H]1CCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345538348 871399749 /nfs/dbraw/zinc/39/97/49/871399749.db2.gz BWGRPBLSIZLSHO-KRWDZBQOSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001328490577 871458933 /nfs/dbraw/zinc/45/89/33/871458933.db2.gz UULPCWYRNIDGAE-INIZCTEOSA-N 2 2 350.507 0.779 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001328490577 871458942 /nfs/dbraw/zinc/45/89/42/871458942.db2.gz UULPCWYRNIDGAE-INIZCTEOSA-N 2 2 350.507 0.779 20 0 FCADLP C[C@@H](N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306184 871763549 /nfs/dbraw/zinc/76/35/49/871763549.db2.gz MMJUGBKCNLLSFR-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306184 871763568 /nfs/dbraw/zinc/76/35/68/871763568.db2.gz MMJUGBKCNLLSFR-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC001346521495 871881142 /nfs/dbraw/zinc/88/11/42/871881142.db2.gz YAGMPDRWSQJGPW-DOTOQJQBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC[N@@H+](C2CC2)C1 ZINC001346553836 871899591 /nfs/dbraw/zinc/89/95/91/871899591.db2.gz LWHJAMOHEUCBTL-OAHLLOKOSA-N 2 2 352.479 0.561 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC[NH+](C2CC2)C1 ZINC001346553836 871899637 /nfs/dbraw/zinc/89/96/37/871899637.db2.gz LWHJAMOHEUCBTL-OAHLLOKOSA-N 2 2 352.479 0.561 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC[NH+](C2CC2)C1 ZINC001346553836 871899659 /nfs/dbraw/zinc/89/96/59/871899659.db2.gz LWHJAMOHEUCBTL-OAHLLOKOSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553848 871900941 /nfs/dbraw/zinc/90/09/41/871900941.db2.gz MKDOBBPBYWTYQB-KRWDZBQOSA-N 2 2 352.479 0.563 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553848 871900951 /nfs/dbraw/zinc/90/09/51/871900951.db2.gz MKDOBBPBYWTYQB-KRWDZBQOSA-N 2 2 352.479 0.563 20 0 FCADLP C[NH+]1CCC[C@]2(CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553848 871900959 /nfs/dbraw/zinc/90/09/59/871900959.db2.gz MKDOBBPBYWTYQB-KRWDZBQOSA-N 2 2 352.479 0.563 20 0 FCADLP C[NH+]1CCC[C@]2(CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553848 871900965 /nfs/dbraw/zinc/90/09/65/871900965.db2.gz MKDOBBPBYWTYQB-KRWDZBQOSA-N 2 2 352.479 0.563 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164105 872500348 /nfs/dbraw/zinc/50/03/48/872500348.db2.gz YEDGREFGKWFPJP-CQSZACIVSA-N 2 2 354.470 0.622 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164105 872500355 /nfs/dbraw/zinc/50/03/55/872500355.db2.gz YEDGREFGKWFPJP-CQSZACIVSA-N 2 2 354.470 0.622 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C[C@@H](C)O1 ZINC001348580130 872730504 /nfs/dbraw/zinc/73/05/04/872730504.db2.gz JCVVHMZPOQFWTF-PNKHAZJDSA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C[C@@H](C)O1 ZINC001348580130 872730512 /nfs/dbraw/zinc/73/05/12/872730512.db2.gz JCVVHMZPOQFWTF-PNKHAZJDSA-N 2 2 350.507 0.475 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccnc(Cl)c3)C2)CC1 ZINC001336713852 874030165 /nfs/dbraw/zinc/03/01/65/874030165.db2.gz LSWBGACGHNXHMJ-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccnc(Cl)c3)C2)CC1 ZINC001336713852 874030182 /nfs/dbraw/zinc/03/01/82/874030182.db2.gz LSWBGACGHNXHMJ-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821626954 945756915 /nfs/dbraw/zinc/75/69/15/945756915.db2.gz HBYUWHKYJPLQDX-UHFFFAOYSA-N 2 2 372.477 0.375 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821626954 945756918 /nfs/dbraw/zinc/75/69/18/945756918.db2.gz HBYUWHKYJPLQDX-UHFFFAOYSA-N 2 2 372.477 0.375 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824547624 946790937 /nfs/dbraw/zinc/79/09/37/946790937.db2.gz QSVMGBURZPYCAP-QAPCUYQASA-N 2 2 371.489 0.924 20 0 FCADLP CC(=O)N1CC[C@H]([NH+]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573433379 948200357 /nfs/dbraw/zinc/20/03/57/948200357.db2.gz LMQHKCCUHHFTQS-AWEZNQCLSA-N 2 2 356.434 0.313 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574923653 948955811 /nfs/dbraw/zinc/95/58/11/948955811.db2.gz QINQMGSPDAHTDQ-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574947919 949458528 /nfs/dbraw/zinc/45/85/28/949458528.db2.gz FTIWMPJBFFKSJV-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574947919 949458543 /nfs/dbraw/zinc/45/85/43/949458543.db2.gz FTIWMPJBFFKSJV-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708273 949487615 /nfs/dbraw/zinc/48/76/15/949487615.db2.gz VEYUXXJMZDQRPG-IUODEOHRSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708273 949487624 /nfs/dbraw/zinc/48/76/24/949487624.db2.gz VEYUXXJMZDQRPG-IUODEOHRSA-N 2 2 358.450 0.427 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001570956994 949872432 /nfs/dbraw/zinc/87/24/32/949872432.db2.gz DGCBUPFCBVECCH-ZDUSSCGKSA-N 2 2 352.402 0.523 20 0 FCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286502 949983900 /nfs/dbraw/zinc/98/39/00/949983900.db2.gz XGAHHSDCNFVNEK-NWDGAFQWSA-N 2 2 355.406 0.276 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574730837 950039819 /nfs/dbraw/zinc/03/98/19/950039819.db2.gz CDPRFKIFXXWSMQ-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N(C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576193713 950313822 /nfs/dbraw/zinc/31/38/22/950313822.db2.gz VOPCMVVHWBCGCE-AWEZNQCLSA-N 2 2 369.473 0.851 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001576193713 950313844 /nfs/dbraw/zinc/31/38/44/950313844.db2.gz VOPCMVVHWBCGCE-AWEZNQCLSA-N 2 2 369.473 0.851 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576202856 950434836 /nfs/dbraw/zinc/43/48/36/950434836.db2.gz DDCFLYDNJJEUIT-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001576202856 950434844 /nfs/dbraw/zinc/43/48/44/950434844.db2.gz DDCFLYDNJJEUIT-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205994 950555157 /nfs/dbraw/zinc/55/51/57/950555157.db2.gz SLLYBJXYWHTQKR-YOEHRIQHSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205994 950555175 /nfs/dbraw/zinc/55/51/75/950555175.db2.gz SLLYBJXYWHTQKR-YOEHRIQHSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205994 950555189 /nfs/dbraw/zinc/55/51/89/950555189.db2.gz SLLYBJXYWHTQKR-YOEHRIQHSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205994 950555208 /nfs/dbraw/zinc/55/52/08/950555208.db2.gz SLLYBJXYWHTQKR-YOEHRIQHSA-N 2 2 369.473 0.899 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571011951 951244576 /nfs/dbraw/zinc/24/45/76/951244576.db2.gz QQPDVHHPPUNHSW-GJZGRUSLSA-N 2 2 364.413 0.549 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571011951 951244594 /nfs/dbraw/zinc/24/45/94/951244594.db2.gz QQPDVHHPPUNHSW-GJZGRUSLSA-N 2 2 364.413 0.549 20 0 FCADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571026264 951473855 /nfs/dbraw/zinc/47/38/55/951473855.db2.gz XESZBGPGGMJAMA-CQSZACIVSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571026264 951473865 /nfs/dbraw/zinc/47/38/65/951473865.db2.gz XESZBGPGGMJAMA-CQSZACIVSA-N 2 2 366.429 0.865 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571036759 951605964 /nfs/dbraw/zinc/60/59/64/951605964.db2.gz AWULKCHRGDWGAH-LBPRGKRZSA-N 2 2 367.417 0.063 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571037086 951615760 /nfs/dbraw/zinc/61/57/60/951615760.db2.gz FPOJIBJNBYZBEC-CYBMUJFWSA-N 2 2 367.417 0.292 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575109590 951932522 /nfs/dbraw/zinc/93/25/22/951932522.db2.gz TVTZQLAECAEQMW-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571075794 952098488 /nfs/dbraw/zinc/09/84/88/952098488.db2.gz CVHUYDFUXJPBBC-VNHYZAJKSA-N 2 2 370.461 0.782 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078365 952127727 /nfs/dbraw/zinc/12/77/27/952127727.db2.gz PGHNOFOCKDFCMZ-INIZCTEOSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078365 952127732 /nfs/dbraw/zinc/12/77/32/952127732.db2.gz PGHNOFOCKDFCMZ-INIZCTEOSA-N 2 2 370.461 0.571 20 0 FCADLP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000265968484 210257124 /nfs/dbraw/zinc/25/71/24/210257124.db2.gz ZWJIITJKSJNWCS-XLIONFOSSA-N 2 2 374.529 0.937 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cn2cc[nH+]c12 ZINC000294397867 214242520 /nfs/dbraw/zinc/24/25/20/214242520.db2.gz SHLKCSHMMOIQCU-CQSZACIVSA-N 2 2 373.457 0.885 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cn2cc[nH+]c12 ZINC000294397867 214242522 /nfs/dbraw/zinc/24/25/22/214242522.db2.gz SHLKCSHMMOIQCU-CQSZACIVSA-N 2 2 373.457 0.885 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000294440831 214245997 /nfs/dbraw/zinc/24/59/97/214245997.db2.gz ZZVRMUJYNSMRCZ-CYBMUJFWSA-N 2 2 350.419 0.869 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000294440831 214245999 /nfs/dbraw/zinc/24/59/99/214245999.db2.gz ZZVRMUJYNSMRCZ-CYBMUJFWSA-N 2 2 350.419 0.869 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265707570 210203171 /nfs/dbraw/zinc/20/31/71/210203171.db2.gz VOZWTLSDYQUUBM-UHFFFAOYSA-N 2 2 362.430 0.600 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410502468 529865077 /nfs/dbraw/zinc/86/50/77/529865077.db2.gz ZFERBJYKEDGTDO-QGZVFWFLSA-N 2 2 360.458 0.862 20 0 FCADLP CNC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000412056222 529882024 /nfs/dbraw/zinc/88/20/24/529882024.db2.gz RUMRMJWHLJAJAM-UHFFFAOYSA-N 2 2 363.462 0.317 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000410615404 529903080 /nfs/dbraw/zinc/90/30/80/529903080.db2.gz PLOXGLCHPKJTGS-MRXNPFEDSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000410615404 529903081 /nfs/dbraw/zinc/90/30/81/529903081.db2.gz PLOXGLCHPKJTGS-MRXNPFEDSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410921501 529909453 /nfs/dbraw/zinc/90/94/53/529909453.db2.gz RJYNCLZYVORZNX-INIZCTEOSA-N 2 2 364.490 0.028 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410921501 529909454 /nfs/dbraw/zinc/90/94/54/529909454.db2.gz RJYNCLZYVORZNX-INIZCTEOSA-N 2 2 364.490 0.028 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000410708425 529910820 /nfs/dbraw/zinc/91/08/20/529910820.db2.gz BSYDXFPVGHKSNN-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000331470866 215001391 /nfs/dbraw/zinc/00/13/91/215001391.db2.gz OSJSNQWYCRDOSF-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000331470866 215001393 /nfs/dbraw/zinc/00/13/93/215001393.db2.gz OSJSNQWYCRDOSF-GJZGRUSLSA-N 2 2 359.474 0.634 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331524372 215010457 /nfs/dbraw/zinc/01/04/57/215010457.db2.gz FQAQZYZDEVPGSH-HZPDHXFCSA-N 2 2 367.490 0.441 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331524372 215010461 /nfs/dbraw/zinc/01/04/61/215010461.db2.gz FQAQZYZDEVPGSH-HZPDHXFCSA-N 2 2 367.490 0.441 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc[nH+]1 ZINC000332036199 215081310 /nfs/dbraw/zinc/08/13/10/215081310.db2.gz IKOILHCQLLFLFX-ZFWWWQNUSA-N 2 2 360.462 0.033 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc[nH+]1 ZINC000332036199 215081313 /nfs/dbraw/zinc/08/13/13/215081313.db2.gz IKOILHCQLLFLFX-ZFWWWQNUSA-N 2 2 360.462 0.033 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000332065603 215086296 /nfs/dbraw/zinc/08/62/96/215086296.db2.gz RTQGLAJUWIAJDC-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000332300651 215125203 /nfs/dbraw/zinc/12/52/03/215125203.db2.gz PRCSFJRPGVMLDE-GOSISDBHSA-N 2 2 373.501 0.643 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000332300651 215125207 /nfs/dbraw/zinc/12/52/07/215125207.db2.gz PRCSFJRPGVMLDE-GOSISDBHSA-N 2 2 373.501 0.643 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000332510734 215164724 /nfs/dbraw/zinc/16/47/24/215164724.db2.gz DMFKSEXBNKYZRD-OWCLPIDISA-N 2 2 359.474 0.496 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@@H]1C ZINC000332551509 215176667 /nfs/dbraw/zinc/17/66/67/215176667.db2.gz PVBLXNZEDSLBCQ-DLBZAZTESA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@@H]1C ZINC000332551509 215176672 /nfs/dbraw/zinc/17/66/72/215176672.db2.gz PVBLXNZEDSLBCQ-DLBZAZTESA-N 2 2 373.501 0.980 20 0 FCADLP CNC(=O)C1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000332585018 215183608 /nfs/dbraw/zinc/18/36/08/215183608.db2.gz BOOIOEWYJZRMGT-UHFFFAOYSA-N 2 2 367.538 0.959 20 0 FCADLP CNC(=O)C1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000332585018 215183617 /nfs/dbraw/zinc/18/36/17/215183617.db2.gz BOOIOEWYJZRMGT-UHFFFAOYSA-N 2 2 367.538 0.959 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332699759 215204357 /nfs/dbraw/zinc/20/43/57/215204357.db2.gz VVWXORDWFDLPNW-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332699742 215204370 /nfs/dbraw/zinc/20/43/70/215204370.db2.gz VVWXORDWFDLPNW-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C[NH+]1CCOCC1 ZINC000332963553 215220404 /nfs/dbraw/zinc/22/04/04/215220404.db2.gz VOSBBUDTYSUDPS-JKSUJKDBSA-N 2 2 364.494 0.387 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000333086881 215234397 /nfs/dbraw/zinc/23/43/97/215234397.db2.gz YMYBIFFVSVXPAG-UHFFFAOYSA-N 2 2 360.462 0.751 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000333190940 215248691 /nfs/dbraw/zinc/24/86/91/215248691.db2.gz VWWKUHCWTJSROK-MRXNPFEDSA-N 2 2 352.479 0.215 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000333454983 215284364 /nfs/dbraw/zinc/28/43/64/215284364.db2.gz YBGOSWVCIGLSDS-RBSFLKMASA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)[nH+]cn1 ZINC000333454983 215284368 /nfs/dbraw/zinc/28/43/68/215284368.db2.gz YBGOSWVCIGLSDS-RBSFLKMASA-N 2 2 359.478 0.738 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333757180 215315916 /nfs/dbraw/zinc/31/59/16/215315916.db2.gz ZZJLQEUFQCBBEF-JKSUJKDBSA-N 2 2 351.495 0.467 20 0 FCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333807633 215322095 /nfs/dbraw/zinc/32/20/95/215322095.db2.gz FUBUTOIEYAHROE-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333807633 215322099 /nfs/dbraw/zinc/32/20/99/215322099.db2.gz FUBUTOIEYAHROE-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000333835776 215323104 /nfs/dbraw/zinc/32/31/04/215323104.db2.gz NKYDVDGNLQHMMN-HOTGVXAUSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000333874258 215327769 /nfs/dbraw/zinc/32/77/69/215327769.db2.gz CGQBOBRRRWYEEE-HOTGVXAUSA-N 2 2 373.501 0.966 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000285731870 213385434 /nfs/dbraw/zinc/38/54/34/213385434.db2.gz BTAUSDYGWUCIPM-HUUCEWRRSA-N 2 2 363.462 0.200 20 0 FCADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000360830679 215371417 /nfs/dbraw/zinc/37/14/17/215371417.db2.gz QJWAQWMSGKFXRS-WOJBJXKFSA-N 2 2 372.513 0.436 20 0 FCADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000360830679 215371420 /nfs/dbraw/zinc/37/14/20/215371420.db2.gz QJWAQWMSGKFXRS-WOJBJXKFSA-N 2 2 372.513 0.436 20 0 FCADLP CC(C)Nc1nc(N2CC[NH+](Cc3ccncc3)CC2)nc(NCCO)[nH+]1 ZINC000285588224 213362733 /nfs/dbraw/zinc/36/27/33/213362733.db2.gz KYRCGIFQTRHMKL-UHFFFAOYSA-N 2 2 372.477 0.813 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCO[C@H]3CCOC3)C2)CC1 ZINC000360913839 215374374 /nfs/dbraw/zinc/37/43/74/215374374.db2.gz RDCYZNRYKJHOJO-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCO[C@H]3CCOC3)C2)CC1 ZINC000360913839 215374379 /nfs/dbraw/zinc/37/43/79/215374379.db2.gz RDCYZNRYKJHOJO-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCO[C@@H]3CCOC3)C2)CC1 ZINC000360913836 215374533 /nfs/dbraw/zinc/37/45/33/215374533.db2.gz RDCYZNRYKJHOJO-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCO[C@@H]3CCOC3)C2)CC1 ZINC000360913836 215374538 /nfs/dbraw/zinc/37/45/38/215374538.db2.gz RDCYZNRYKJHOJO-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285545927 213356848 /nfs/dbraw/zinc/35/68/48/213356848.db2.gz IFEONXSMHZRTJB-PBHICJAKSA-N 2 2 371.485 0.897 20 0 FCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451053 213344212 /nfs/dbraw/zinc/34/42/12/213344212.db2.gz GIJIWNCADUTKKV-FQEVSTJZSA-N 2 2 356.470 0.543 20 0 FCADLP O=C(C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451053 213344214 /nfs/dbraw/zinc/34/42/14/213344214.db2.gz GIJIWNCADUTKKV-FQEVSTJZSA-N 2 2 356.470 0.543 20 0 FCADLP O=C(C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451053 213344216 /nfs/dbraw/zinc/34/42/16/213344216.db2.gz GIJIWNCADUTKKV-FQEVSTJZSA-N 2 2 356.470 0.543 20 0 FCADLP O=C(C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451053 213344220 /nfs/dbraw/zinc/34/42/20/213344220.db2.gz GIJIWNCADUTKKV-FQEVSTJZSA-N 2 2 356.470 0.543 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000285318592 213323085 /nfs/dbraw/zinc/32/30/85/213323085.db2.gz WWGDOTPMLJQCET-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000285318592 213323088 /nfs/dbraw/zinc/32/30/88/213323088.db2.gz WWGDOTPMLJQCET-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000284970779 213259785 /nfs/dbraw/zinc/25/97/85/213259785.db2.gz IHZBBDLIVCFTAL-MRXNPFEDSA-N 2 2 371.441 0.325 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000284970779 213259787 /nfs/dbraw/zinc/25/97/87/213259787.db2.gz IHZBBDLIVCFTAL-MRXNPFEDSA-N 2 2 371.441 0.325 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@H]2C1 ZINC000284928323 213251676 /nfs/dbraw/zinc/25/16/76/213251676.db2.gz NMYZIUADRYJOGE-ZBFHGGJFSA-N 2 2 368.441 0.436 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@H]2C1 ZINC000284928323 213251687 /nfs/dbraw/zinc/25/16/87/213251687.db2.gz NMYZIUADRYJOGE-ZBFHGGJFSA-N 2 2 368.441 0.436 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284642104 213186755 /nfs/dbraw/zinc/18/67/55/213186755.db2.gz ZJTAYHNLCGLZMP-QGZVFWFLSA-N 2 2 362.474 0.024 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284642104 213186759 /nfs/dbraw/zinc/18/67/59/213186759.db2.gz ZJTAYHNLCGLZMP-QGZVFWFLSA-N 2 2 362.474 0.024 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000284401018 213129887 /nfs/dbraw/zinc/12/98/87/213129887.db2.gz RCHUKKLFSAPEOI-OAHLLOKOSA-N 2 2 361.421 0.785 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284284265 213103190 /nfs/dbraw/zinc/10/31/90/213103190.db2.gz IKEJLEGGXGVXTI-WBVHZDCISA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284284265 213103195 /nfs/dbraw/zinc/10/31/95/213103195.db2.gz IKEJLEGGXGVXTI-WBVHZDCISA-N 2 2 369.469 0.936 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000284186215 213093097 /nfs/dbraw/zinc/09/30/97/213093097.db2.gz ZYFUFUFKPHGOIV-OAGGEKHMSA-N 2 2 363.462 0.100 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284130018 213081485 /nfs/dbraw/zinc/08/14/85/213081485.db2.gz DDQUMFFNQRTKKL-OAGGEKHMSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284130018 213081487 /nfs/dbraw/zinc/08/14/87/213081487.db2.gz DDQUMFFNQRTKKL-OAGGEKHMSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000284130031 213081436 /nfs/dbraw/zinc/08/14/36/213081436.db2.gz DDQUMFFNQRTKKL-PMPSAXMXSA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284130031 213081439 /nfs/dbraw/zinc/08/14/39/213081439.db2.gz DDQUMFFNQRTKKL-PMPSAXMXSA-N 2 2 357.458 0.520 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000284119039 213078689 /nfs/dbraw/zinc/07/86/89/213078689.db2.gz PEDWHMPFEXCNOL-UHFFFAOYSA-N 2 2 361.446 0.343 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000284119039 213078692 /nfs/dbraw/zinc/07/86/92/213078692.db2.gz PEDWHMPFEXCNOL-UHFFFAOYSA-N 2 2 361.446 0.343 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283988970 213050150 /nfs/dbraw/zinc/05/01/50/213050150.db2.gz PQHVVJMFKHYUFC-WBVHZDCISA-N 2 2 355.442 0.779 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988970 213050152 /nfs/dbraw/zinc/05/01/52/213050152.db2.gz PQHVVJMFKHYUFC-WBVHZDCISA-N 2 2 355.442 0.779 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000283908679 213032310 /nfs/dbraw/zinc/03/23/10/213032310.db2.gz LEHRCVYXTBFXFZ-KRWDZBQOSA-N 2 2 355.442 0.780 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283855346 213020400 /nfs/dbraw/zinc/02/04/00/213020400.db2.gz GTXGCIRONHMUEH-AWEZNQCLSA-N 2 2 355.442 0.594 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000283855346 213020401 /nfs/dbraw/zinc/02/04/01/213020401.db2.gz GTXGCIRONHMUEH-AWEZNQCLSA-N 2 2 355.442 0.594 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000283839412 213017135 /nfs/dbraw/zinc/01/71/35/213017135.db2.gz AUWILASVCNZDRK-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000283839412 213017137 /nfs/dbraw/zinc/01/71/37/213017137.db2.gz AUWILASVCNZDRK-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000283763995 213004243 /nfs/dbraw/zinc/00/42/43/213004243.db2.gz BUCNBVPNJDALNO-BBRMVZONSA-N 2 2 361.421 0.946 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413105522 237280636 /nfs/dbraw/zinc/28/06/36/237280636.db2.gz ZDDJKECAALCYBS-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413105522 237280641 /nfs/dbraw/zinc/28/06/41/237280641.db2.gz ZDDJKECAALCYBS-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)nc[nH+]2)C1 ZINC000413250116 237303363 /nfs/dbraw/zinc/30/33/63/237303363.db2.gz QUPLZGIZHUVYHA-OWCLPIDISA-N 2 2 363.506 0.965 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)nc[nH+]2)C1 ZINC000413250116 237303371 /nfs/dbraw/zinc/30/33/71/237303371.db2.gz QUPLZGIZHUVYHA-OWCLPIDISA-N 2 2 363.506 0.965 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413567949 237359214 /nfs/dbraw/zinc/35/92/14/237359214.db2.gz BUFBMISKDXQMSM-QXSJWSMHSA-N 2 2 359.536 0.825 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413567949 237359221 /nfs/dbraw/zinc/35/92/21/237359221.db2.gz BUFBMISKDXQMSM-QXSJWSMHSA-N 2 2 359.536 0.825 20 0 FCADLP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000366927565 216051146 /nfs/dbraw/zinc/05/11/46/216051146.db2.gz YTOOBKYSFAMUOA-MRXNPFEDSA-N 2 2 361.490 0.797 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032317 216065660 /nfs/dbraw/zinc/06/56/60/216065660.db2.gz YWLWHGVUXMCORP-NVXWUHKLSA-N 2 2 359.474 0.313 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032317 216065663 /nfs/dbraw/zinc/06/56/63/216065663.db2.gz YWLWHGVUXMCORP-NVXWUHKLSA-N 2 2 359.474 0.313 20 0 FCADLP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)NCC(C)(C)[NH+]4CCOCC4)[C@H]1[C@H]3C2 ZINC000367598909 216141450 /nfs/dbraw/zinc/14/14/50/216141450.db2.gz AQUTYDVZWAPCDG-FTAMUGHTSA-N 2 2 351.491 0.569 20 0 FCADLP O=C(C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCCCC1 ZINC000367647648 216145219 /nfs/dbraw/zinc/14/52/19/216145219.db2.gz YVDNAZDRIPDZPK-KDURUIRLSA-N 2 2 364.534 0.870 20 0 FCADLP O=C(C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)N1CCCCCC1 ZINC000367647648 216145221 /nfs/dbraw/zinc/14/52/21/216145221.db2.gz YVDNAZDRIPDZPK-KDURUIRLSA-N 2 2 364.534 0.870 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000367732459 216154582 /nfs/dbraw/zinc/15/45/82/216154582.db2.gz ZOQRBDFMWXHVRT-AEFFLSMTSA-N 2 2 373.501 0.769 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000367732462 216155085 /nfs/dbraw/zinc/15/50/85/216155085.db2.gz ZOQRBDFMWXHVRT-FUHWJXTLSA-N 2 2 373.501 0.769 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1)[NH+]1CCOCC1 ZINC000367823998 216167526 /nfs/dbraw/zinc/16/75/26/216167526.db2.gz PXIQQAVGMIFLJD-QGZVFWFLSA-N 2 2 353.507 0.962 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1)[NH+]1CCOCC1 ZINC000367823998 216167528 /nfs/dbraw/zinc/16/75/28/216167528.db2.gz PXIQQAVGMIFLJD-QGZVFWFLSA-N 2 2 353.507 0.962 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)cc(OC)c1 ZINC000261786928 209481189 /nfs/dbraw/zinc/48/11/89/209481189.db2.gz GIZJYVLOFKIABJ-QAPCUYQASA-N 2 2 363.458 0.854 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000246476862 209390676 /nfs/dbraw/zinc/39/06/76/209390676.db2.gz RDRNCGHRDIKNQA-KSZLIROESA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000246476862 209390681 /nfs/dbraw/zinc/39/06/81/209390681.db2.gz RDRNCGHRDIKNQA-KSZLIROESA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000246476862 209390683 /nfs/dbraw/zinc/39/06/83/209390683.db2.gz RDRNCGHRDIKNQA-KSZLIROESA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000246476862 209390688 /nfs/dbraw/zinc/39/06/88/209390688.db2.gz RDRNCGHRDIKNQA-KSZLIROESA-N 2 2 367.538 0.517 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1=O ZINC000245412952 209366459 /nfs/dbraw/zinc/36/64/59/209366459.db2.gz ARJGCEPKPBPNKE-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1=O ZINC000245412952 209366462 /nfs/dbraw/zinc/36/64/62/209366462.db2.gz ARJGCEPKPBPNKE-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000238018232 209361957 /nfs/dbraw/zinc/36/19/57/209361957.db2.gz BVZPSKXJUYXRDR-IBGZPJMESA-N 2 2 360.502 0.689 20 0 FCADLP C[C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237628299 209355912 /nfs/dbraw/zinc/35/59/12/209355912.db2.gz DPDSEACYAPYQRP-IAGOWNOFSA-N 2 2 360.506 0.741 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237650467 209355450 /nfs/dbraw/zinc/35/54/50/209355450.db2.gz XBJKUWWCWLBILS-HZPDHXFCSA-N 2 2 368.547 0.627 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC000237571548 209353961 /nfs/dbraw/zinc/35/39/61/209353961.db2.gz MMJHBSZXZQZYPB-CABCVRRESA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000237228154 209349314 /nfs/dbraw/zinc/34/93/14/209349314.db2.gz GKOXZJAUFJPHGI-KRWDZBQOSA-N 2 2 366.487 0.561 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000236833399 209344279 /nfs/dbraw/zinc/34/42/79/209344279.db2.gz XLYJUYMDULRWOD-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH3+])c2)CC1 ZINC000236887219 209344241 /nfs/dbraw/zinc/34/42/41/209344241.db2.gz OJHCXTPYNXKIAT-UHFFFAOYSA-N 2 2 374.894 0.355 20 0 FCADLP CC1=C(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)n2ncnc2N1C ZINC000195298034 209334579 /nfs/dbraw/zinc/33/45/79/209334579.db2.gz VZJRSJRAEKSTMJ-CQSZACIVSA-N 2 2 361.494 0.705 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@H]1CC ZINC000368642652 216274878 /nfs/dbraw/zinc/27/48/78/216274878.db2.gz LDBCGRSYMRVWGE-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@H]1CC ZINC000368642652 216274880 /nfs/dbraw/zinc/27/48/80/216274880.db2.gz LDBCGRSYMRVWGE-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C[C@H]1CC ZINC000368642652 216274884 /nfs/dbraw/zinc/27/48/84/216274884.db2.gz LDBCGRSYMRVWGE-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C[C@H]1CC ZINC000368642652 216274885 /nfs/dbraw/zinc/27/48/85/216274885.db2.gz LDBCGRSYMRVWGE-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000368634394 216273603 /nfs/dbraw/zinc/27/36/03/216273603.db2.gz UXMGCQSOVRHKLL-HOTGVXAUSA-N 2 2 356.492 0.818 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n(C)c1C ZINC000368692515 216282067 /nfs/dbraw/zinc/28/20/67/216282067.db2.gz NYLKFIDVGCNWRU-INIZCTEOSA-N 2 2 364.490 0.616 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@]34CCOC4=O)C2)CC1 ZINC000368726981 216287965 /nfs/dbraw/zinc/28/79/65/216287965.db2.gz JBMGTZMBKGGJBZ-KSSFIOAISA-N 2 2 350.463 0.646 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@]34CCOC4=O)C2)CC1 ZINC000368726981 216287968 /nfs/dbraw/zinc/28/79/68/216287968.db2.gz JBMGTZMBKGGJBZ-KSSFIOAISA-N 2 2 350.463 0.646 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963091 216324453 /nfs/dbraw/zinc/32/44/53/216324453.db2.gz HPQXLNFULIAMGJ-FCEWJHQRSA-N 2 2 371.485 0.706 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963091 216324456 /nfs/dbraw/zinc/32/44/56/216324456.db2.gz HPQXLNFULIAMGJ-FCEWJHQRSA-N 2 2 371.485 0.706 20 0 FCADLP CCS(=O)(=O)CCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368991673 216330517 /nfs/dbraw/zinc/33/05/17/216330517.db2.gz UFXJWHSXWLVKFE-UHFFFAOYSA-N 2 2 362.536 0.751 20 0 FCADLP CC1CCC(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000369266106 216372217 /nfs/dbraw/zinc/37/22/17/216372217.db2.gz AALGMXYEJCCTOK-UHFFFAOYSA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSc3nnnn3C3CC3)C2)CC1 ZINC000369264632 216372244 /nfs/dbraw/zinc/37/22/44/216372244.db2.gz CKNPBXIVEVEVSX-GFCCVEGCSA-N 2 2 365.507 0.385 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSc3nnnn3C3CC3)C2)CC1 ZINC000369264632 216372246 /nfs/dbraw/zinc/37/22/46/216372246.db2.gz CKNPBXIVEVEVSX-GFCCVEGCSA-N 2 2 365.507 0.385 20 0 FCADLP CC(=O)Nc1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000369274256 216376080 /nfs/dbraw/zinc/37/60/80/216376080.db2.gz NQDCRKGPBXPCSX-LBPRGKRZSA-N 2 2 351.476 1.000 20 0 FCADLP CC(=O)Nc1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000369274256 216376083 /nfs/dbraw/zinc/37/60/83/216376083.db2.gz NQDCRKGPBXPCSX-LBPRGKRZSA-N 2 2 351.476 1.000 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000369278866 216377281 /nfs/dbraw/zinc/37/72/81/216377281.db2.gz TTWHRNFAKXAFCU-INIZCTEOSA-N 2 2 369.473 0.490 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000369278866 216377284 /nfs/dbraw/zinc/37/72/84/216377284.db2.gz TTWHRNFAKXAFCU-INIZCTEOSA-N 2 2 369.473 0.490 20 0 FCADLP CC(=O)N[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273956 216377538 /nfs/dbraw/zinc/37/75/38/216377538.db2.gz LFGGIEWPVWYVQG-WMZOPIPTSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273956 216377540 /nfs/dbraw/zinc/37/75/40/216377540.db2.gz LFGGIEWPVWYVQG-WMZOPIPTSA-N 2 2 350.507 0.966 20 0 FCADLP CCOC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372279 216391991 /nfs/dbraw/zinc/39/19/91/216391991.db2.gz HNQYAYMCXQUVBE-HNNXBMFYSA-N 2 2 367.494 0.639 20 0 FCADLP CCOC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372279 216391993 /nfs/dbraw/zinc/39/19/93/216391993.db2.gz HNQYAYMCXQUVBE-HNNXBMFYSA-N 2 2 367.494 0.639 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4(CC3)OCCO4)C2)CC1 ZINC000369375835 216392275 /nfs/dbraw/zinc/39/22/75/216392275.db2.gz ZFKKUFNOERNZCW-HNNXBMFYSA-N 2 2 352.479 0.703 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(CC3)OCCO4)C2)CC1 ZINC000369375835 216392276 /nfs/dbraw/zinc/39/22/76/216392276.db2.gz ZFKKUFNOERNZCW-HNNXBMFYSA-N 2 2 352.479 0.703 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000369359809 216389742 /nfs/dbraw/zinc/38/97/42/216389742.db2.gz TVUPQMPJUJDVIT-MRXNPFEDSA-N 2 2 356.470 0.994 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000369359809 216389744 /nfs/dbraw/zinc/38/97/44/216389744.db2.gz TVUPQMPJUJDVIT-MRXNPFEDSA-N 2 2 356.470 0.994 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369395060 216394669 /nfs/dbraw/zinc/39/46/69/216394669.db2.gz YFJXZCGLFYUOCW-QGZVFWFLSA-N 3 2 367.538 0.565 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369395060 216394670 /nfs/dbraw/zinc/39/46/70/216394670.db2.gz YFJXZCGLFYUOCW-QGZVFWFLSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369402971 216398943 /nfs/dbraw/zinc/39/89/43/216398943.db2.gz SXRYYGCTCNBOHD-ZWKOTPCHSA-N 2 2 366.554 0.044 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402971 216398946 /nfs/dbraw/zinc/39/89/46/216398946.db2.gz SXRYYGCTCNBOHD-ZWKOTPCHSA-N 2 2 366.554 0.044 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188748925 209239252 /nfs/dbraw/zinc/23/92/52/209239252.db2.gz JWQPIZADFOBVEI-GJZGRUSLSA-N 2 2 360.506 0.686 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000188549853 209232243 /nfs/dbraw/zinc/23/22/43/209232243.db2.gz QXSUGCIPVYJBLP-HRCADAONSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000188549853 209232247 /nfs/dbraw/zinc/23/22/47/209232247.db2.gz QXSUGCIPVYJBLP-HRCADAONSA-N 2 2 356.511 0.582 20 0 FCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000277268070 212345088 /nfs/dbraw/zinc/34/50/88/212345088.db2.gz RJFKOXLJHHHFME-INIZCTEOSA-N 2 2 362.474 0.583 20 0 FCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000277268070 212345091 /nfs/dbraw/zinc/34/50/91/212345091.db2.gz RJFKOXLJHHHFME-INIZCTEOSA-N 2 2 362.474 0.583 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277258956 212343963 /nfs/dbraw/zinc/34/39/63/212343963.db2.gz QUTZSVJJIUHWMX-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277258956 212343966 /nfs/dbraw/zinc/34/39/66/212343966.db2.gz QUTZSVJJIUHWMX-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000186985635 209203860 /nfs/dbraw/zinc/20/38/60/209203860.db2.gz NJURNNBWBUVBQV-DLBZAZTESA-N 2 2 361.490 0.117 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000186985635 209203863 /nfs/dbraw/zinc/20/38/63/209203863.db2.gz NJURNNBWBUVBQV-DLBZAZTESA-N 2 2 361.490 0.117 20 0 FCADLP CCN1C[C@@H](C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC000275675984 212071444 /nfs/dbraw/zinc/07/14/44/212071444.db2.gz LYIPYLJYSJVOAL-LSDHHAIUSA-N 2 2 359.474 0.759 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000185219869 209173750 /nfs/dbraw/zinc/17/37/50/209173750.db2.gz XWNXXGSSRSKULA-KRWDZBQOSA-N 2 2 356.536 0.930 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000185219869 209173751 /nfs/dbraw/zinc/17/37/51/209173751.db2.gz XWNXXGSSRSKULA-KRWDZBQOSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000415344495 245394192 /nfs/dbraw/zinc/39/41/92/245394192.db2.gz NQEOJOSLXJWNKJ-HUUCEWRRSA-N 2 2 360.458 0.839 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000373499762 217024379 /nfs/dbraw/zinc/02/43/79/217024379.db2.gz AANMQFKDXPTZJN-SFHVURJKSA-N 2 2 352.523 0.583 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000373499762 217024380 /nfs/dbraw/zinc/02/43/80/217024380.db2.gz AANMQFKDXPTZJN-SFHVURJKSA-N 2 2 352.523 0.583 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000373499762 217024383 /nfs/dbraw/zinc/02/43/83/217024383.db2.gz AANMQFKDXPTZJN-SFHVURJKSA-N 2 2 352.523 0.583 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000373499762 217024386 /nfs/dbraw/zinc/02/43/86/217024386.db2.gz AANMQFKDXPTZJN-SFHVURJKSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C(=O)C(=O)Nc1cncc(F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374088173 217095331 /nfs/dbraw/zinc/09/53/31/217095331.db2.gz VFGKEYLRPWMZOH-MRXNPFEDSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1cncc(F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374088173 217095334 /nfs/dbraw/zinc/09/53/34/217095334.db2.gz VFGKEYLRPWMZOH-MRXNPFEDSA-N 2 2 363.437 0.786 20 0 FCADLP CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCNC1=O ZINC000374135963 217100536 /nfs/dbraw/zinc/10/05/36/217100536.db2.gz GIPXDKXKAGFZIR-INIZCTEOSA-N 2 2 366.506 0.348 20 0 FCADLP CC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCNC1=O ZINC000374135963 217100538 /nfs/dbraw/zinc/10/05/38/217100538.db2.gz GIPXDKXKAGFZIR-INIZCTEOSA-N 2 2 366.506 0.348 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374324529 217117871 /nfs/dbraw/zinc/11/78/71/217117871.db2.gz MQIOEUBBHQCKTN-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374324529 217117875 /nfs/dbraw/zinc/11/78/75/217117875.db2.gz MQIOEUBBHQCKTN-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621499 217149071 /nfs/dbraw/zinc/14/90/71/217149071.db2.gz WHWXCXLRHZTVNF-CABCVRRESA-N 2 2 364.494 0.868 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)CC1 ZINC000374621499 217149074 /nfs/dbraw/zinc/14/90/74/217149074.db2.gz WHWXCXLRHZTVNF-CABCVRRESA-N 2 2 364.494 0.868 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340575 217253095 /nfs/dbraw/zinc/25/30/95/217253095.db2.gz FOLKXYITVLBDEU-QAPCUYQASA-N 2 2 364.494 0.305 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375340575 217253098 /nfs/dbraw/zinc/25/30/98/217253098.db2.gz FOLKXYITVLBDEU-QAPCUYQASA-N 2 2 364.494 0.305 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC(=O)N1CCOCC1)c1ccccc1 ZINC000182013238 209126844 /nfs/dbraw/zinc/12/68/44/209126844.db2.gz XHUXWGIYIBGAPD-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502839 217274960 /nfs/dbraw/zinc/27/49/60/217274960.db2.gz XBZGAEHVVXZCQV-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502839 217274962 /nfs/dbraw/zinc/27/49/62/217274962.db2.gz XBZGAEHVVXZCQV-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502839 217274964 /nfs/dbraw/zinc/27/49/64/217274964.db2.gz XBZGAEHVVXZCQV-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502839 217274966 /nfs/dbraw/zinc/27/49/66/217274966.db2.gz XBZGAEHVVXZCQV-IEBWSBKVSA-N 2 2 361.486 0.803 20 0 FCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000375619071 217291342 /nfs/dbraw/zinc/29/13/42/217291342.db2.gz CGTUCDSXEYTOOE-UHFFFAOYSA-N 2 2 357.458 0.926 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417275026 245682299 /nfs/dbraw/zinc/68/22/99/245682299.db2.gz UZDPXZDDZYKZKH-YQQAZPJKSA-N 2 2 356.536 0.963 20 0 FCADLP [NH3+]C[C@@H](NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417360286 245687032 /nfs/dbraw/zinc/68/70/32/245687032.db2.gz AAUXQAYVRWWUKA-OAHLLOKOSA-N 2 2 360.462 0.157 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376185632 217365196 /nfs/dbraw/zinc/36/51/96/217365196.db2.gz VSIQHYZEGBFZOC-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412785 217396519 /nfs/dbraw/zinc/39/65/19/217396519.db2.gz STBILZWKUABRLZ-YESZJQIVSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412785 217396522 /nfs/dbraw/zinc/39/65/22/217396522.db2.gz STBILZWKUABRLZ-YESZJQIVSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412785 217396524 /nfs/dbraw/zinc/39/65/24/217396524.db2.gz STBILZWKUABRLZ-YESZJQIVSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000376412785 217396526 /nfs/dbraw/zinc/39/65/26/217396526.db2.gz STBILZWKUABRLZ-YESZJQIVSA-N 2 2 369.506 0.590 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418902380 245900853 /nfs/dbraw/zinc/90/08/53/245900853.db2.gz AEVIVDHKIOIKFM-KRWDZBQOSA-N 2 2 360.458 0.003 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419128235 246002889 /nfs/dbraw/zinc/00/28/89/246002889.db2.gz VQRHUCHQRDPANB-HOTGVXAUSA-N 2 2 369.469 0.799 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419153635 246019856 /nfs/dbraw/zinc/01/98/56/246019856.db2.gz PBDMDIKDBBXQTH-INIZCTEOSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000419132530 246007446 /nfs/dbraw/zinc/00/74/46/246007446.db2.gz DZFQJGPJZYLXDM-RDJZCZTQSA-N 2 2 369.469 0.938 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419147844 246017236 /nfs/dbraw/zinc/01/72/36/246017236.db2.gz IUGSUJVDEUVMMX-KRWDZBQOSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419160556 246027070 /nfs/dbraw/zinc/02/70/70/246027070.db2.gz ZKDKDJOICFZVMB-NVXWUHKLSA-N 2 2 369.469 0.938 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c[nH+]2)CC1 ZINC000419196939 246046216 /nfs/dbraw/zinc/04/62/16/246046216.db2.gz AJQHGDGFWJXKIY-HNNXBMFYSA-N 2 2 359.474 0.754 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c[nH+]2)CC1 ZINC000419209630 246054907 /nfs/dbraw/zinc/05/49/07/246054907.db2.gz TYCDPVDWGDQIKZ-INIZCTEOSA-N 2 2 359.474 0.788 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270792 246082746 /nfs/dbraw/zinc/08/27/46/246082746.db2.gz DOEOLUHXKDGILI-KRWDZBQOSA-N 2 2 355.442 0.758 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419237215 246074574 /nfs/dbraw/zinc/07/45/74/246074574.db2.gz OICXUGSYJCNMQF-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419237215 246074579 /nfs/dbraw/zinc/07/45/79/246074579.db2.gz OICXUGSYJCNMQF-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419248637 246077148 /nfs/dbraw/zinc/07/71/48/246077148.db2.gz XWWKMEKNYSAVLK-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[N@H+]1CCc2sccc2C1 ZINC000419248637 246077151 /nfs/dbraw/zinc/07/71/51/246077151.db2.gz XWWKMEKNYSAVLK-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419303405 246091333 /nfs/dbraw/zinc/09/13/33/246091333.db2.gz HYKJRLAKFIJFJL-GDBMZVCRSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419395518 246133457 /nfs/dbraw/zinc/13/34/57/246133457.db2.gz USAQPFCVBBYFSS-BYCMXARLSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419395518 246133460 /nfs/dbraw/zinc/13/34/60/246133460.db2.gz USAQPFCVBBYFSS-BYCMXARLSA-N 2 2 368.865 0.291 20 0 FCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419418214 246151960 /nfs/dbraw/zinc/15/19/60/246151960.db2.gz QPLZPGOCSZGOFQ-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419418214 246151964 /nfs/dbraw/zinc/15/19/64/246151964.db2.gz QPLZPGOCSZGOFQ-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000419649267 246228766 /nfs/dbraw/zinc/22/87/66/246228766.db2.gz MZWFAHNYQHRJHZ-OAHLLOKOSA-N 2 2 361.490 0.773 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419677813 246243155 /nfs/dbraw/zinc/24/31/55/246243155.db2.gz CWTQILJQQXYWBT-SQWLQELKSA-N 2 2 354.495 0.236 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419680667 246246738 /nfs/dbraw/zinc/24/67/38/246246738.db2.gz HPRUUTJRPLLQSV-ZNMIVQPWSA-N 2 2 354.495 0.106 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419808186 246303509 /nfs/dbraw/zinc/30/35/09/246303509.db2.gz UPGOHBYPUQAHPK-OAHLLOKOSA-N 2 2 374.489 0.287 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419808186 246303513 /nfs/dbraw/zinc/30/35/13/246303513.db2.gz UPGOHBYPUQAHPK-OAHLLOKOSA-N 2 2 374.489 0.287 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000419728061 246274797 /nfs/dbraw/zinc/27/47/97/246274797.db2.gz MBOIUMWLSRBPOV-INIZCTEOSA-N 2 2 359.474 0.625 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419838570 246314720 /nfs/dbraw/zinc/31/47/20/246314720.db2.gz GEQGINVZURRGLB-MRXNPFEDSA-N 2 2 360.458 0.078 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844060 246316964 /nfs/dbraw/zinc/31/69/64/246316964.db2.gz KQEOJCBKIPDBIQ-MRXNPFEDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844060 246316971 /nfs/dbraw/zinc/31/69/71/246316971.db2.gz KQEOJCBKIPDBIQ-MRXNPFEDSA-N 2 2 358.486 0.978 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419854585 246324780 /nfs/dbraw/zinc/32/47/80/246324780.db2.gz BTSNGNVTASACEI-HOCLYGCPSA-N 2 2 360.458 0.379 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419912063 246366208 /nfs/dbraw/zinc/36/62/08/246366208.db2.gz KQLVALMVPFZVRM-QGZVFWFLSA-N 2 2 358.486 0.755 20 0 FCADLP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419931313 246374613 /nfs/dbraw/zinc/37/46/13/246374613.db2.gz COIJFSUGZFGABZ-KRWDZBQOSA-N 2 2 374.485 0.468 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000419937670 246378112 /nfs/dbraw/zinc/37/81/12/246378112.db2.gz GKHJEEXCUJTRDE-OAHLLOKOSA-N 2 2 362.474 0.441 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419880301 246347948 /nfs/dbraw/zinc/34/79/48/246347948.db2.gz SHZTZYMMQRLLSK-UHFFFAOYSA-N 2 2 374.485 0.726 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000419884883 246349922 /nfs/dbraw/zinc/34/99/22/246349922.db2.gz YIAVOLJXNQOWRF-ZWKOTPCHSA-N 2 2 374.485 0.421 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419894608 246355966 /nfs/dbraw/zinc/35/59/66/246355966.db2.gz NURGBBSOYWESFP-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423361430 247011121 /nfs/dbraw/zinc/01/11/21/247011121.db2.gz GTBDHPQRWINFLQ-MRXNPFEDSA-N 2 2 354.495 0.143 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000423372039 247014273 /nfs/dbraw/zinc/01/42/73/247014273.db2.gz QWIXANPXMZBDJO-MAUKXSAKSA-N 2 2 361.490 0.856 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423379958 247016166 /nfs/dbraw/zinc/01/61/66/247016166.db2.gz YHHMETXOZGWDAK-UHFFFAOYSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423397586 247020320 /nfs/dbraw/zinc/02/03/20/247020320.db2.gz TYBGCSCHISCGPZ-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423397586 247020325 /nfs/dbraw/zinc/02/03/25/247020325.db2.gz TYBGCSCHISCGPZ-YESZJQIVSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000423397582 247020490 /nfs/dbraw/zinc/02/04/90/247020490.db2.gz TYBGCSCHISCGPZ-BBWFWOEESA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000423397582 247020497 /nfs/dbraw/zinc/02/04/97/247020497.db2.gz TYBGCSCHISCGPZ-BBWFWOEESA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000423417157 247022819 /nfs/dbraw/zinc/02/28/19/247022819.db2.gz RWQAPQAFOFKYIO-RHSMWYFYSA-N 2 2 360.458 0.369 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423312513 247002835 /nfs/dbraw/zinc/00/28/35/247002835.db2.gz DGLKSLJJQINCKO-JFIYKMOQSA-N 2 2 373.501 0.730 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000423314148 247003607 /nfs/dbraw/zinc/00/36/07/247003607.db2.gz GRTKWHWEJHSGIL-DLBZAZTESA-N 2 2 373.501 0.745 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423312515 247003999 /nfs/dbraw/zinc/00/39/99/247003999.db2.gz DGLKSLJJQINCKO-RYRKJORJSA-N 2 2 373.501 0.730 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326326 247005388 /nfs/dbraw/zinc/00/53/88/247005388.db2.gz MQBJZMDXGGYWIM-QXSJWSMHSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326326 247005391 /nfs/dbraw/zinc/00/53/91/247005391.db2.gz MQBJZMDXGGYWIM-QXSJWSMHSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326325 247005530 /nfs/dbraw/zinc/00/55/30/247005530.db2.gz MQBJZMDXGGYWIM-QKPAOTATSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326325 247005532 /nfs/dbraw/zinc/00/55/32/247005532.db2.gz MQBJZMDXGGYWIM-QKPAOTATSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423340913 247006927 /nfs/dbraw/zinc/00/69/27/247006927.db2.gz VZIOFPGJUSDNQC-ULQDDVLXSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423547051 247048132 /nfs/dbraw/zinc/04/81/32/247048132.db2.gz CEIJZTQHUNFUQE-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423431270 247025734 /nfs/dbraw/zinc/02/57/34/247025734.db2.gz IQRIPDNQIYEJEO-INIZCTEOSA-N 2 2 354.401 0.587 20 0 FCADLP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000423529860 247043520 /nfs/dbraw/zinc/04/35/20/247043520.db2.gz WBIAXMSUIVUFSM-AEFFLSMTSA-N 2 2 372.469 0.909 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2cccs2)CC1 ZINC000423678683 247107190 /nfs/dbraw/zinc/10/71/90/247107190.db2.gz DFPNUXVMYYSZRA-CABCVRRESA-N 2 2 362.499 0.745 20 0 FCADLP CN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C[NH3+])CCC1 ZINC000423690922 247110524 /nfs/dbraw/zinc/11/05/24/247110524.db2.gz ALTBUEGRGACICR-UHFFFAOYSA-N 2 2 359.474 0.850 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000423695346 247112810 /nfs/dbraw/zinc/11/28/10/247112810.db2.gz BRJGSZSUTXUGBS-HZPDHXFCSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000423607908 247072905 /nfs/dbraw/zinc/07/29/05/247072905.db2.gz MZAUGAUDZDPQSY-HNNXBMFYSA-N 2 2 355.442 0.710 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000423774343 247141661 /nfs/dbraw/zinc/14/16/61/247141661.db2.gz NOAFNCZPJABHMJ-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000423774343 247141664 /nfs/dbraw/zinc/14/16/64/247141664.db2.gz NOAFNCZPJABHMJ-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)c1 ZINC000423813200 247144612 /nfs/dbraw/zinc/14/46/12/247144612.db2.gz RSHGNIUNKBQACA-INIZCTEOSA-N 2 2 363.458 0.597 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423828059 247144873 /nfs/dbraw/zinc/14/48/73/247144873.db2.gz NWORAWXMILMIAR-WBMJQRKESA-N 2 2 358.364 0.430 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423828059 247144878 /nfs/dbraw/zinc/14/48/78/247144878.db2.gz NWORAWXMILMIAR-WBMJQRKESA-N 2 2 358.364 0.430 20 0 FCADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)CCOC1C[NH2+]C1 ZINC000423909444 247149600 /nfs/dbraw/zinc/14/96/00/247149600.db2.gz DPJGAPBKJQEFPS-KBPBESRZSA-N 2 2 353.442 0.169 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CCOC2C[NH2+]C2)on1 ZINC000423926435 247151602 /nfs/dbraw/zinc/15/16/02/247151602.db2.gz PEWGGPIKCWTDAP-KBPBESRZSA-N 2 2 354.426 0.732 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CCOC2C[NH2+]C2)on1 ZINC000423926435 247151603 /nfs/dbraw/zinc/15/16/03/247151603.db2.gz PEWGGPIKCWTDAP-KBPBESRZSA-N 2 2 354.426 0.732 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000423717111 247121827 /nfs/dbraw/zinc/12/18/27/247121827.db2.gz JPHYVUQWNPBZOC-HUUCEWRRSA-N 2 2 362.474 0.706 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423728068 247128517 /nfs/dbraw/zinc/12/85/17/247128517.db2.gz MGFHUIHPLTUTNB-INIZCTEOSA-N 2 2 354.401 0.635 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423728068 247128521 /nfs/dbraw/zinc/12/85/21/247128521.db2.gz MGFHUIHPLTUTNB-INIZCTEOSA-N 2 2 354.401 0.635 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423748769 247136612 /nfs/dbraw/zinc/13/66/12/247136612.db2.gz ZRMCWTCZUFXTAX-WBVHZDCISA-N 3 2 367.538 0.057 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423748769 247136614 /nfs/dbraw/zinc/13/66/14/247136614.db2.gz ZRMCWTCZUFXTAX-WBVHZDCISA-N 3 2 367.538 0.057 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000424139925 247171935 /nfs/dbraw/zinc/17/19/35/247171935.db2.gz AQDDFNIAHZXGEV-CVEARBPZSA-N 2 2 362.478 0.530 20 0 FCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424141221 247172165 /nfs/dbraw/zinc/17/21/65/247172165.db2.gz CGYVKIKMBNTKCA-SNVBAGLBSA-N 2 2 357.340 0.891 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424518698 247248182 /nfs/dbraw/zinc/24/81/82/247248182.db2.gz IIVAAURWDLTQOE-ZIAGYGMSSA-N 2 2 360.449 0.584 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424518698 247248190 /nfs/dbraw/zinc/24/81/90/247248190.db2.gz IIVAAURWDLTQOE-ZIAGYGMSSA-N 2 2 360.449 0.584 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000424526100 247253155 /nfs/dbraw/zinc/25/31/55/247253155.db2.gz RIZMVJYKIJRJIH-QWHCGFSZSA-N 2 2 358.433 0.481 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000424526100 247253159 /nfs/dbraw/zinc/25/31/59/247253159.db2.gz RIZMVJYKIJRJIH-QWHCGFSZSA-N 2 2 358.433 0.481 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000424468340 247227903 /nfs/dbraw/zinc/22/79/03/247227903.db2.gz OSLRUSAULRKRCV-RHSMWYFYSA-N 2 2 360.458 0.714 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000425446331 247341636 /nfs/dbraw/zinc/34/16/36/247341636.db2.gz DVVWFALIOULZMM-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000425446331 247341643 /nfs/dbraw/zinc/34/16/43/247341643.db2.gz DVVWFALIOULZMM-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000425478019 247343840 /nfs/dbraw/zinc/34/38/40/247343840.db2.gz OPZNJILDSJLPHK-KRWDZBQOSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000435578448 248001422 /nfs/dbraw/zinc/00/14/22/248001422.db2.gz HXBRRMUQWBZEEC-ZACQAIPSSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000435578448 248001425 /nfs/dbraw/zinc/00/14/25/248001425.db2.gz HXBRRMUQWBZEEC-ZACQAIPSSA-N 2 2 356.511 0.584 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CS(=O)(=O)CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435575125 248001891 /nfs/dbraw/zinc/00/18/91/248001891.db2.gz QIIGWDXSFJKERJ-AWEZNQCLSA-N 2 2 368.503 0.808 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]CCC[NH+]2CCC(O)CC2)c1C ZINC000438219090 248079519 /nfs/dbraw/zinc/07/95/19/248079519.db2.gz ZCXYVJBQPQQARO-UHFFFAOYSA-N 2 2 352.479 0.999 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000438592517 248089577 /nfs/dbraw/zinc/08/95/77/248089577.db2.gz QSSOAVGHZOIMJS-XMMPIXPASA-N 2 2 358.552 0.955 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000438592517 248089581 /nfs/dbraw/zinc/08/95/81/248089581.db2.gz QSSOAVGHZOIMJS-XMMPIXPASA-N 2 2 358.552 0.955 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000440288386 248169355 /nfs/dbraw/zinc/16/93/55/248169355.db2.gz XYXGCNBTUZRKDI-AWEZNQCLSA-N 2 2 362.478 0.641 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000440288386 248169357 /nfs/dbraw/zinc/16/93/57/248169357.db2.gz XYXGCNBTUZRKDI-AWEZNQCLSA-N 2 2 362.478 0.641 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2CCOCC2(C)C)CC1(C)C ZINC000440984685 248229353 /nfs/dbraw/zinc/22/93/53/248229353.db2.gz NTIADTKCZWSDCN-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)NCC[NH+]2CCOCC2(C)C)CC1(C)C ZINC000440984685 248229355 /nfs/dbraw/zinc/22/93/55/248229355.db2.gz NTIADTKCZWSDCN-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+]1CCN(CCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1(C)C ZINC000440984685 248229363 /nfs/dbraw/zinc/22/93/63/248229363.db2.gz NTIADTKCZWSDCN-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)CC1(C)C ZINC000441019447 248232810 /nfs/dbraw/zinc/23/28/10/248232810.db2.gz JVRAFNPVLZDYAR-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)CC1(C)C ZINC000441019447 248232815 /nfs/dbraw/zinc/23/28/15/248232815.db2.gz JVRAFNPVLZDYAR-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+]1CCN(CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1(C)C ZINC000441019447 248232818 /nfs/dbraw/zinc/23/28/18/248232818.db2.gz JVRAFNPVLZDYAR-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+]1CCN(CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1(C)C ZINC000441019447 248232822 /nfs/dbraw/zinc/23/28/22/248232822.db2.gz JVRAFNPVLZDYAR-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213533 248243974 /nfs/dbraw/zinc/24/39/74/248243974.db2.gz WJXOIWZYVWYVOK-QLFBSQMISA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213533 248243978 /nfs/dbraw/zinc/24/39/78/248243978.db2.gz WJXOIWZYVWYVOK-QLFBSQMISA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(NCC(=O)OC(C)(C)C)C2)CC1 ZINC000440500030 248191248 /nfs/dbraw/zinc/19/12/48/248191248.db2.gz YFSWPJRPQJOPJT-GOSISDBHSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(NCC(=O)OC(C)(C)C)C2)CC1 ZINC000440500030 248191250 /nfs/dbraw/zinc/19/12/50/248191250.db2.gz YFSWPJRPQJOPJT-GOSISDBHSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765062 248295625 /nfs/dbraw/zinc/29/56/25/248295625.db2.gz UPWGDAJMSHRMFL-JHJVBQTASA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765062 248295627 /nfs/dbraw/zinc/29/56/27/248295627.db2.gz UPWGDAJMSHRMFL-JHJVBQTASA-N 2 2 366.487 0.281 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000442768847 248295994 /nfs/dbraw/zinc/29/59/94/248295994.db2.gz UPEDPTFRLNDOFY-STQMWFEESA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000442768847 248295996 /nfs/dbraw/zinc/29/59/96/248295996.db2.gz UPEDPTFRLNDOFY-STQMWFEESA-N 2 2 354.476 0.511 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769614 248296693 /nfs/dbraw/zinc/29/66/93/248296693.db2.gz VUKMWNSBXSNBQV-OLZOCXBDSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769614 248296696 /nfs/dbraw/zinc/29/66/96/248296696.db2.gz VUKMWNSBXSNBQV-OLZOCXBDSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000443222278 248312773 /nfs/dbraw/zinc/31/27/73/248312773.db2.gz XXHVSVKTKHRVIT-OAHLLOKOSA-N 2 2 364.471 0.619 20 0 FCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000444168579 248349738 /nfs/dbraw/zinc/34/97/38/248349738.db2.gz PHYSVJDCWZQDTG-MAUKXSAKSA-N 2 2 365.478 0.686 20 0 FCADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1(CCO)CCOCC1 ZINC000445224830 248376547 /nfs/dbraw/zinc/37/65/47/248376547.db2.gz PIOKTJGCAYPMEL-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc21 ZINC000453646732 249350320 /nfs/dbraw/zinc/35/03/20/249350320.db2.gz QZLFCVUCHKBRHC-NVXWUHKLSA-N 2 2 360.458 0.621 20 0 FCADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc21 ZINC000453646732 249350326 /nfs/dbraw/zinc/35/03/26/249350326.db2.gz QZLFCVUCHKBRHC-NVXWUHKLSA-N 2 2 360.458 0.621 20 0 FCADLP C[C@]1(n2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881378 250009508 /nfs/dbraw/zinc/00/95/08/250009508.db2.gz QRADTPYZNZQDNS-HZMVEIRTSA-N 2 2 352.504 0.976 20 0 FCADLP C[C@]1(n2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881378 250009513 /nfs/dbraw/zinc/00/95/13/250009513.db2.gz QRADTPYZNZQDNS-HZMVEIRTSA-N 2 2 352.504 0.976 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000469896170 250011186 /nfs/dbraw/zinc/01/11/86/250011186.db2.gz GBIYXQSPYCTBGR-KRWDZBQOSA-N 2 2 365.522 0.810 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000270329888 211185987 /nfs/dbraw/zinc/18/59/87/211185987.db2.gz LNUPXEOVVBOMLK-OAHLLOKOSA-N 2 2 355.442 0.768 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000270329888 211185989 /nfs/dbraw/zinc/18/59/89/211185989.db2.gz LNUPXEOVVBOMLK-OAHLLOKOSA-N 2 2 355.442 0.768 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000470687941 250058569 /nfs/dbraw/zinc/05/85/69/250058569.db2.gz IISZDKHYPJTSHC-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000473483883 250233390 /nfs/dbraw/zinc/23/33/90/250233390.db2.gz PLIDNTZJJHWJEU-HNNXBMFYSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000473483883 250233393 /nfs/dbraw/zinc/23/33/93/250233393.db2.gz PLIDNTZJJHWJEU-HNNXBMFYSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000473483883 250233397 /nfs/dbraw/zinc/23/33/97/250233397.db2.gz PLIDNTZJJHWJEU-HNNXBMFYSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000473483883 250233401 /nfs/dbraw/zinc/23/34/01/250233401.db2.gz PLIDNTZJJHWJEU-HNNXBMFYSA-N 2 2 373.501 0.713 20 0 FCADLP COCCC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480911789 250294377 /nfs/dbraw/zinc/29/43/77/250294377.db2.gz UEVHQTKFOKBVSF-MRXNPFEDSA-N 2 2 370.519 0.938 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480965558 250302856 /nfs/dbraw/zinc/30/28/56/250302856.db2.gz BIFYQBARNTUXFR-IXDOHACOSA-N 2 2 368.522 0.260 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480965558 250302859 /nfs/dbraw/zinc/30/28/59/250302859.db2.gz BIFYQBARNTUXFR-IXDOHACOSA-N 2 2 368.522 0.260 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000073639720 208050018 /nfs/dbraw/zinc/05/00/18/208050018.db2.gz QSDDZZGIUAVHJF-UHFFFAOYSA-N 2 2 373.545 0.801 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000068828290 208029432 /nfs/dbraw/zinc/02/94/32/208029432.db2.gz NUPCBLBEHZKSCA-UHFFFAOYSA-N 2 2 368.547 0.675 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000068828290 208029436 /nfs/dbraw/zinc/02/94/36/208029436.db2.gz NUPCBLBEHZKSCA-UHFFFAOYSA-N 2 2 368.547 0.675 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NCCC(=O)N3CC[NH+](C)CC3)cn21 ZINC000069401618 208034063 /nfs/dbraw/zinc/03/40/63/208034063.db2.gz VCIHMXDXQXRHMZ-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000069140751 208034478 /nfs/dbraw/zinc/03/44/78/208034478.db2.gz CURMWQQLXWFPGO-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074134178 208053161 /nfs/dbraw/zinc/05/31/61/208053161.db2.gz PRIGUPYJULRLOC-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000079236036 208087945 /nfs/dbraw/zinc/08/79/45/208087945.db2.gz FNBQOBDZBBRIJW-GOSISDBHSA-N 2 2 373.501 0.849 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000079236036 208087952 /nfs/dbraw/zinc/08/79/52/208087952.db2.gz FNBQOBDZBBRIJW-GOSISDBHSA-N 2 2 373.501 0.849 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000079764488 208090303 /nfs/dbraw/zinc/09/03/03/208090303.db2.gz AFMCLCUYPSQQOE-ZBFHGGJFSA-N 2 2 368.503 0.944 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000090102591 208128450 /nfs/dbraw/zinc/12/84/50/208128450.db2.gz HPAZSJJCGKIXEJ-RDJZCZTQSA-N 2 2 355.504 0.943 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000090102591 208128456 /nfs/dbraw/zinc/12/84/56/208128456.db2.gz HPAZSJJCGKIXEJ-RDJZCZTQSA-N 2 2 355.504 0.943 20 0 FCADLP CCc1nsc(N2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000093177853 208155150 /nfs/dbraw/zinc/15/51/50/208155150.db2.gz XTNCKKMDHHKGEO-UHFFFAOYSA-N 2 2 352.508 0.387 20 0 FCADLP CCc1nsc(N2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000093177853 208155156 /nfs/dbraw/zinc/15/51/56/208155156.db2.gz XTNCKKMDHHKGEO-UHFFFAOYSA-N 2 2 352.508 0.387 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000093158783 208155552 /nfs/dbraw/zinc/15/55/52/208155552.db2.gz FPYMGJYOOWNECW-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000093158783 208155560 /nfs/dbraw/zinc/15/55/60/208155560.db2.gz FPYMGJYOOWNECW-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000103512108 208178483 /nfs/dbraw/zinc/17/84/83/208178483.db2.gz SZJVIFIRINNYPE-MRXNPFEDSA-N 2 2 365.522 0.713 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCCOCCC(C)C)C2)CC1 ZINC000107370383 208244032 /nfs/dbraw/zinc/24/40/32/208244032.db2.gz NMKJWAIBLAARCW-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCCOCCC(C)C)C2)CC1 ZINC000107370383 208244037 /nfs/dbraw/zinc/24/40/37/208244037.db2.gz NMKJWAIBLAARCW-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000106562089 208231131 /nfs/dbraw/zinc/23/11/31/208231131.db2.gz NQJSEYBFHSNTAG-RCCFBDPRSA-N 2 2 367.538 0.517 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000111265855 208277995 /nfs/dbraw/zinc/27/79/95/208277995.db2.gz JGMWVRGTURYEEK-INIZCTEOSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000111265855 208278002 /nfs/dbraw/zinc/27/80/02/208278002.db2.gz JGMWVRGTURYEEK-INIZCTEOSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000111265085 208278663 /nfs/dbraw/zinc/27/86/63/208278663.db2.gz TXKSKMKNKWSYOO-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000111265085 208278669 /nfs/dbraw/zinc/27/86/69/208278669.db2.gz TXKSKMKNKWSYOO-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796606 208262874 /nfs/dbraw/zinc/26/28/74/208262874.db2.gz WKUVWOFMOVAPHO-HIFRSBDPSA-N 2 2 354.476 0.554 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112204982 208290483 /nfs/dbraw/zinc/29/04/83/208290483.db2.gz UZSIRGTZZFQPRR-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000112506065 208296365 /nfs/dbraw/zinc/29/63/65/208296365.db2.gz SEXBKKOGHHHFLB-MRXNPFEDSA-N 2 2 357.462 0.805 20 0 FCADLP Cc1n[nH]cc1C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000116922221 208338065 /nfs/dbraw/zinc/33/80/65/208338065.db2.gz BHXBWMXJXRVRRS-UHFFFAOYSA-N 2 2 363.487 0.944 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000118834730 208352628 /nfs/dbraw/zinc/35/26/28/208352628.db2.gz MYYXUTNKGGWWGD-KRWDZBQOSA-N 2 2 374.485 0.743 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000118834730 208352629 /nfs/dbraw/zinc/35/26/29/208352629.db2.gz MYYXUTNKGGWWGD-KRWDZBQOSA-N 2 2 374.485 0.743 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120607097 208385018 /nfs/dbraw/zinc/38/50/18/208385018.db2.gz KFYKPNWBPBIZPU-LJQANCHMSA-N 2 2 364.490 0.631 20 0 FCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594926 210363754 /nfs/dbraw/zinc/36/37/54/210363754.db2.gz AXGIUIPOYALCSM-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594926 210363760 /nfs/dbraw/zinc/36/37/60/210363760.db2.gz AXGIUIPOYALCSM-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594926 210363767 /nfs/dbraw/zinc/36/37/67/210363767.db2.gz AXGIUIPOYALCSM-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000266594926 210363769 /nfs/dbraw/zinc/36/37/69/210363769.db2.gz AXGIUIPOYALCSM-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000129632047 208513074 /nfs/dbraw/zinc/51/30/74/208513074.db2.gz AQIUIZFMONIHDO-MRXNPFEDSA-N 2 2 361.494 0.192 20 0 FCADLP C[C@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000266125933 210288491 /nfs/dbraw/zinc/28/84/91/210288491.db2.gz NMJNNYHMNCOVSM-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000266097390 210282427 /nfs/dbraw/zinc/28/24/27/210282427.db2.gz GQKOAKASCOXVER-SFHVURJKSA-N 2 2 362.474 0.463 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000266097390 210282431 /nfs/dbraw/zinc/28/24/31/210282431.db2.gz GQKOAKASCOXVER-SFHVURJKSA-N 2 2 362.474 0.463 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000178439560 209049819 /nfs/dbraw/zinc/04/98/19/209049819.db2.gz JIFBQQGWGYEMST-QAPCUYQASA-N 2 2 369.469 0.928 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+](C)C1 ZINC000411762713 533474835 /nfs/dbraw/zinc/47/48/35/533474835.db2.gz XPIIGMRBXVATQG-ZDUSSCGKSA-N 2 2 373.413 0.144 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+](C)C1 ZINC000411762713 533474840 /nfs/dbraw/zinc/47/48/40/533474840.db2.gz XPIIGMRBXVATQG-ZDUSSCGKSA-N 2 2 373.413 0.144 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000179398491 209077976 /nfs/dbraw/zinc/07/79/76/209077976.db2.gz WHQORVYWEYTHCL-UXHICEINSA-N 2 2 374.529 0.890 20 0 FCADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179424154 209079188 /nfs/dbraw/zinc/07/91/88/209079188.db2.gz MWHBNQLIQXFTKY-FUHWJXTLSA-N 2 2 374.485 0.926 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000113818620 229168659 /nfs/dbraw/zinc/16/86/59/229168659.db2.gz DJGGFOKHBCBNTA-CABCVRRESA-N 2 2 360.462 0.150 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000113818620 229168663 /nfs/dbraw/zinc/16/86/63/229168663.db2.gz DJGGFOKHBCBNTA-CABCVRRESA-N 2 2 360.462 0.150 20 0 FCADLP C[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000187334111 229239294 /nfs/dbraw/zinc/23/92/94/229239294.db2.gz SZJOLPOWCSPPKN-INIZCTEOSA-N 2 2 369.554 0.499 20 0 FCADLP C[C@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000187334111 229239297 /nfs/dbraw/zinc/23/92/97/229239297.db2.gz SZJOLPOWCSPPKN-INIZCTEOSA-N 2 2 369.554 0.499 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000410771123 230240304 /nfs/dbraw/zinc/24/03/04/230240304.db2.gz KNOCPNGFEUNTAA-MRXNPFEDSA-N 2 2 368.522 0.092 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410920929 230305152 /nfs/dbraw/zinc/30/51/52/230305152.db2.gz QJDPKOXAMFKRGB-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410920929 230305155 /nfs/dbraw/zinc/30/51/55/230305155.db2.gz QJDPKOXAMFKRGB-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000411026724 230355653 /nfs/dbraw/zinc/35/56/53/230355653.db2.gz CPAQEDUOEJZFPW-UHFFFAOYSA-N 2 2 361.471 0.877 20 0 FCADLP NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000932945859 674230163 /nfs/dbraw/zinc/23/01/63/674230163.db2.gz AJQDPVKZYQNWGJ-KRWDZBQOSA-N 2 2 353.488 0.629 20 0 FCADLP NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000932945859 674230165 /nfs/dbraw/zinc/23/01/65/674230165.db2.gz AJQDPVKZYQNWGJ-KRWDZBQOSA-N 2 2 353.488 0.629 20 0 FCADLP C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000189382366 533704733 /nfs/dbraw/zinc/70/47/33/533704733.db2.gz ILMWAMPOBOIGMN-IAGOWNOFSA-N 2 2 361.490 0.117 20 0 FCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695529 488875361 /nfs/dbraw/zinc/87/53/61/488875361.db2.gz NQETYCOJYCQEAX-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695529 488875362 /nfs/dbraw/zinc/87/53/62/488875362.db2.gz NQETYCOJYCQEAX-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695529 488875363 /nfs/dbraw/zinc/87/53/63/488875363.db2.gz NQETYCOJYCQEAX-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695529 488875365 /nfs/dbraw/zinc/87/53/65/488875365.db2.gz NQETYCOJYCQEAX-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[C@@H](C[NH+]4CCOCC4)C3)nc[nH+]2)C1 ZINC000301475783 488880655 /nfs/dbraw/zinc/88/06/55/488880655.db2.gz WHKITBUIHPUFGE-DLBZAZTESA-N 2 2 361.490 0.844 20 0 FCADLP CC(C)[N@H+](C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301534593 488881018 /nfs/dbraw/zinc/88/10/18/488881018.db2.gz IPXIBSGKPIKKDH-UHFFFAOYSA-N 2 2 355.508 0.770 20 0 FCADLP CC(C)[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301534593 488881021 /nfs/dbraw/zinc/88/10/21/488881021.db2.gz IPXIBSGKPIKKDH-UHFFFAOYSA-N 2 2 355.508 0.770 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000302091460 488887550 /nfs/dbraw/zinc/88/75/50/488887550.db2.gz HAGJKSKOLRJLDO-IRXDYDNUSA-N 2 2 361.490 0.986 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794821 491189591 /nfs/dbraw/zinc/18/95/91/491189591.db2.gz ROFRKPBQTBQOEL-DZGCQCFKSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794821 491189596 /nfs/dbraw/zinc/18/95/96/491189596.db2.gz ROFRKPBQTBQOEL-DZGCQCFKSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794821 491189598 /nfs/dbraw/zinc/18/95/98/491189598.db2.gz ROFRKPBQTBQOEL-DZGCQCFKSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794821 491189602 /nfs/dbraw/zinc/18/96/02/491189602.db2.gz ROFRKPBQTBQOEL-DZGCQCFKSA-N 3 2 351.520 0.779 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000363910531 488899445 /nfs/dbraw/zinc/89/94/45/488899445.db2.gz RCOADPVCQSUYOC-AWEZNQCLSA-N 2 2 374.441 0.639 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000363910531 488899447 /nfs/dbraw/zinc/89/94/47/488899447.db2.gz RCOADPVCQSUYOC-AWEZNQCLSA-N 2 2 374.441 0.639 20 0 FCADLP COCC[N@H+](CCO)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363920122 488900787 /nfs/dbraw/zinc/90/07/87/488900787.db2.gz YLLUGGUVCZFHMB-UHFFFAOYSA-N 2 2 357.495 0.078 20 0 FCADLP COCC[N@@H+](CCO)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363920122 488900788 /nfs/dbraw/zinc/90/07/88/488900788.db2.gz YLLUGGUVCZFHMB-UHFFFAOYSA-N 2 2 357.495 0.078 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278952996 488907032 /nfs/dbraw/zinc/90/70/32/488907032.db2.gz HKNZDQQRGPBAKP-CQSZACIVSA-N 2 2 356.430 0.648 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1(C)C ZINC000328242446 488922143 /nfs/dbraw/zinc/92/21/43/488922143.db2.gz AHXIKPSOIWKCOF-MDZRGWNJSA-N 2 2 354.539 0.907 20 0 FCADLP O=C(CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328663413 488927917 /nfs/dbraw/zinc/92/79/17/488927917.db2.gz BGXNZNACXUIADV-QGZVFWFLSA-N 2 2 372.469 0.800 20 0 FCADLP O=C(CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328663413 488927921 /nfs/dbraw/zinc/92/79/21/488927921.db2.gz BGXNZNACXUIADV-QGZVFWFLSA-N 2 2 372.469 0.800 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000287980951 488928984 /nfs/dbraw/zinc/92/89/84/488928984.db2.gz RIVJMDGQTWNRTR-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000287980951 488928988 /nfs/dbraw/zinc/92/89/88/488928988.db2.gz RIVJMDGQTWNRTR-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000364206516 488935183 /nfs/dbraw/zinc/93/51/83/488935183.db2.gz KGKGKXTTXTYJIN-GFCCVEGCSA-N 2 2 370.475 0.086 20 0 FCADLP CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000364206516 488935188 /nfs/dbraw/zinc/93/51/88/488935188.db2.gz KGKGKXTTXTYJIN-GFCCVEGCSA-N 2 2 370.475 0.086 20 0 FCADLP Cc1nc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c[nH]1 ZINC000328789972 488938623 /nfs/dbraw/zinc/93/86/23/488938623.db2.gz QCTGTHQCMTUJOS-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP O=C1OCC[C@]12CCC[NH+]2CCOCC[N@H+]1CCC[C@]12CCOC2=O ZINC000364446285 488961159 /nfs/dbraw/zinc/96/11/59/488961159.db2.gz STJMQWKGGZRHSL-QZTJIDSGSA-N 2 2 352.431 0.566 20 0 FCADLP O=C1OCC[C@]12CCC[NH+]2CCOCC[N@@H+]1CCC[C@]12CCOC2=O ZINC000364446285 488961161 /nfs/dbraw/zinc/96/11/61/488961161.db2.gz STJMQWKGGZRHSL-QZTJIDSGSA-N 2 2 352.431 0.566 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041487789 487828947 /nfs/dbraw/zinc/82/89/47/487828947.db2.gz BTSQFFBNDJQDKH-GOEBONIOSA-N 2 2 353.492 0.779 20 0 FCADLP CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000044898803 487925735 /nfs/dbraw/zinc/92/57/35/487925735.db2.gz XQKOHUGHYORMBK-UHFFFAOYSA-N 2 2 362.474 0.901 20 0 FCADLP CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000044898803 487925739 /nfs/dbraw/zinc/92/57/39/487925739.db2.gz XQKOHUGHYORMBK-UHFFFAOYSA-N 2 2 362.474 0.901 20 0 FCADLP O=C(NCCC[NH+]1CCCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000045121729 487931312 /nfs/dbraw/zinc/93/13/12/487931312.db2.gz JEWTWASSUATMFS-QGZVFWFLSA-N 2 2 356.536 0.979 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000047617950 488038656 /nfs/dbraw/zinc/03/86/56/488038656.db2.gz OAQDUQGCLBMGOD-INIZCTEOSA-N 2 2 350.463 0.929 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000047617782 488039351 /nfs/dbraw/zinc/03/93/51/488039351.db2.gz QTMJFRFLJSAMAD-SFHVURJKSA-N 2 2 362.474 0.519 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000047617782 488039352 /nfs/dbraw/zinc/03/93/52/488039352.db2.gz QTMJFRFLJSAMAD-SFHVURJKSA-N 2 2 362.474 0.519 20 0 FCADLP CC(=O)NCC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000047772551 488044941 /nfs/dbraw/zinc/04/49/41/488044941.db2.gz BEZMNHYAXLBURL-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000048758251 488081388 /nfs/dbraw/zinc/08/13/88/488081388.db2.gz AXBZQXNKXJPTHK-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CCCC[C@@H](NC(N)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796855 488114598 /nfs/dbraw/zinc/11/45/98/488114598.db2.gz ICZLEAGVXSHGJJ-MRXNPFEDSA-N 2 2 353.511 0.888 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760895 488144361 /nfs/dbraw/zinc/14/43/61/488144361.db2.gz HHXCJEXZRPIPBE-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760895 488144368 /nfs/dbraw/zinc/14/43/68/488144368.db2.gz HHXCJEXZRPIPBE-INIZCTEOSA-N 2 2 367.538 0.565 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364496743 488966031 /nfs/dbraw/zinc/96/60/31/488966031.db2.gz UBHRUWAIIDBRFP-KRWDZBQOSA-N 2 2 366.506 0.159 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000055015794 488234113 /nfs/dbraw/zinc/23/41/13/488234113.db2.gz QHSGUDPJUNWULG-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000055015794 488234116 /nfs/dbraw/zinc/23/41/16/488234116.db2.gz QHSGUDPJUNWULG-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000288333046 488971123 /nfs/dbraw/zinc/97/11/23/488971123.db2.gz YMXNDCUCMCRIPD-UHFFFAOYSA-N 2 2 353.492 0.253 20 0 FCADLP O=C(CN1CC[NH+](Cc2ccccn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000063483484 488305193 /nfs/dbraw/zinc/30/51/93/488305193.db2.gz NZJHVRXGSQWHPW-UHFFFAOYSA-N 2 2 357.502 0.942 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066917883 488340388 /nfs/dbraw/zinc/34/03/88/488340388.db2.gz SVYGUHTVHAXIGJ-INMHGKMJSA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066917883 488340391 /nfs/dbraw/zinc/34/03/91/488340391.db2.gz SVYGUHTVHAXIGJ-INMHGKMJSA-N 2 2 354.495 0.140 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000562823574 491193274 /nfs/dbraw/zinc/19/32/74/491193274.db2.gz LTIQAZWFIIQMJM-GVDBMIGSSA-N 2 2 366.506 0.204 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000068085793 488360163 /nfs/dbraw/zinc/36/01/63/488360163.db2.gz IYAAGMWKNSTTDK-GOSISDBHSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000068085793 488360165 /nfs/dbraw/zinc/36/01/65/488360165.db2.gz IYAAGMWKNSTTDK-GOSISDBHSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068085793 488360166 /nfs/dbraw/zinc/36/01/66/488360166.db2.gz IYAAGMWKNSTTDK-GOSISDBHSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068085793 488360169 /nfs/dbraw/zinc/36/01/69/488360169.db2.gz IYAAGMWKNSTTDK-GOSISDBHSA-N 2 2 358.486 0.918 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000562823575 491193426 /nfs/dbraw/zinc/19/34/26/491193426.db2.gz LTIQAZWFIIQMJM-ULQDDVLXSA-N 2 2 366.506 0.204 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000071150252 488376885 /nfs/dbraw/zinc/37/68/85/488376885.db2.gz PUYOXXVNQUYGJA-UHFFFAOYSA-N 2 2 356.268 0.620 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000071150252 488376886 /nfs/dbraw/zinc/37/68/86/488376886.db2.gz PUYOXXVNQUYGJA-UHFFFAOYSA-N 2 2 356.268 0.620 20 0 FCADLP C[NH+]1CCN(C(=O)CC2(CC(=O)N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000071835746 488377451 /nfs/dbraw/zinc/37/74/51/488377451.db2.gz XQMWOKCCIAHUTG-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000073583211 488384903 /nfs/dbraw/zinc/38/49/03/488384903.db2.gz ONDITLQOONEOMU-OALUTQOASA-N 2 2 361.486 0.767 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000073583211 488384904 /nfs/dbraw/zinc/38/49/04/488384904.db2.gz ONDITLQOONEOMU-OALUTQOASA-N 2 2 361.486 0.767 20 0 FCADLP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000073586401 488385088 /nfs/dbraw/zinc/38/50/88/488385088.db2.gz QQDBCEDPBHRCCC-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000562833004 491194449 /nfs/dbraw/zinc/19/44/49/491194449.db2.gz MRXKSXMWBHTDTA-POHAHGRESA-N 2 2 358.486 0.960 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000074100874 488387367 /nfs/dbraw/zinc/38/73/67/488387367.db2.gz HKPRQQIDGQNCOH-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000074100874 488387368 /nfs/dbraw/zinc/38/73/68/488387368.db2.gz HKPRQQIDGQNCOH-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000182710069 488389420 /nfs/dbraw/zinc/38/94/20/488389420.db2.gz YTTCOGZZTSDOPX-DLBZAZTESA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000183036074 488391045 /nfs/dbraw/zinc/39/10/45/488391045.db2.gz LHHJWGDAZHTKTP-KRWDZBQOSA-N 2 2 355.527 0.234 20 0 FCADLP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000183036074 488391048 /nfs/dbraw/zinc/39/10/48/488391048.db2.gz LHHJWGDAZHTKTP-KRWDZBQOSA-N 2 2 355.527 0.234 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335858 491195315 /nfs/dbraw/zinc/19/53/15/491195315.db2.gz QUHCEVUWGOOEMR-CAOSSQGBSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335858 491195318 /nfs/dbraw/zinc/19/53/18/491195318.db2.gz QUHCEVUWGOOEMR-CAOSSQGBSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335858 491195321 /nfs/dbraw/zinc/19/53/21/491195321.db2.gz QUHCEVUWGOOEMR-CAOSSQGBSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000554335858 491195325 /nfs/dbraw/zinc/19/53/25/491195325.db2.gz QUHCEVUWGOOEMR-CAOSSQGBSA-N 2 2 354.495 0.153 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819495 491195523 /nfs/dbraw/zinc/19/55/23/491195523.db2.gz DTYXBCBTHWTXAD-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000569819495 491195526 /nfs/dbraw/zinc/19/55/26/491195526.db2.gz DTYXBCBTHWTXAD-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000186300915 488405747 /nfs/dbraw/zinc/40/57/47/488405747.db2.gz ARODMTJWRRHJBU-UYAOXDASSA-N 2 2 374.529 0.682 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000077644231 488416447 /nfs/dbraw/zinc/41/64/47/488416447.db2.gz HAMJIEAVHHBXOI-UHFFFAOYSA-N 2 2 374.533 0.936 20 0 FCADLP COc1cccc([C@@H](CNC(=O)NCC[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000077930860 488419339 /nfs/dbraw/zinc/41/93/39/488419339.db2.gz YKGVBVVSUVTKSL-QGZVFWFLSA-N 2 2 350.463 0.929 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000193131459 488426122 /nfs/dbraw/zinc/42/61/22/488426122.db2.gz HEYFJYWKJHREAB-KRWDZBQOSA-N 2 2 356.511 0.707 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079050422 488426981 /nfs/dbraw/zinc/42/69/81/488426981.db2.gz NCKAHCFQAUNFEF-CQSZACIVSA-N 2 2 351.495 0.417 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079050422 488426982 /nfs/dbraw/zinc/42/69/82/488426982.db2.gz NCKAHCFQAUNFEF-CQSZACIVSA-N 2 2 351.495 0.417 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000079093900 488427504 /nfs/dbraw/zinc/42/75/04/488427504.db2.gz JIDJOIZTJIKACS-KURKYZTESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000193618975 488428648 /nfs/dbraw/zinc/42/86/48/488428648.db2.gz CFTKKWWKQOJWIS-NVXWUHKLSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000193801163 488429656 /nfs/dbraw/zinc/42/96/56/488429656.db2.gz AURLJUYACMGTRK-CQSZACIVSA-N 2 2 355.866 0.786 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CC(N)=O)CC1 ZINC000194347243 488432036 /nfs/dbraw/zinc/43/20/36/488432036.db2.gz PXVVZVOAINNNAF-OAHLLOKOSA-N 2 2 359.474 0.706 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000195327026 488437206 /nfs/dbraw/zinc/43/72/06/488437206.db2.gz VFMVGNSJKOMZBQ-UHFFFAOYSA-N 2 2 354.480 0.627 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000083700865 488448089 /nfs/dbraw/zinc/44/80/89/488448089.db2.gz DBQZQEBHNZTVTP-SFHVURJKSA-N 2 2 370.538 0.976 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000083700865 488448093 /nfs/dbraw/zinc/44/80/93/488448093.db2.gz DBQZQEBHNZTVTP-SFHVURJKSA-N 2 2 370.538 0.976 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1C ZINC000083738588 488449257 /nfs/dbraw/zinc/44/92/57/488449257.db2.gz QKVYRYPXRWRRDA-UHFFFAOYSA-N 3 2 351.499 0.311 20 0 FCADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000268843166 488452788 /nfs/dbraw/zinc/45/27/88/488452788.db2.gz BDOYFGWQNMVABS-WCQYABFASA-N 2 2 358.284 0.964 20 0 FCADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000268843166 488452790 /nfs/dbraw/zinc/45/27/90/488452790.db2.gz BDOYFGWQNMVABS-WCQYABFASA-N 2 2 358.284 0.964 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3=O)c(C)c2)CC1 ZINC000237009257 488454012 /nfs/dbraw/zinc/45/40/12/488454012.db2.gz GTDRMUZIBSEIIM-UHFFFAOYSA-N 2 2 359.474 0.507 20 0 FCADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000238045543 488457995 /nfs/dbraw/zinc/45/79/95/488457995.db2.gz RNIYEAATNYIOSJ-OAHLLOKOSA-N 2 2 354.520 0.238 20 0 FCADLP [NH3+][C@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000238013790 488458144 /nfs/dbraw/zinc/45/81/44/488458144.db2.gz NKOIWQMPUJAXHU-KRWDZBQOSA-N 2 2 354.458 0.805 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)[nH+]1 ZINC000268974688 488460101 /nfs/dbraw/zinc/46/01/01/488460101.db2.gz AKMSHABCNXMRNU-MRXNPFEDSA-N 2 2 373.457 0.402 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)[nH+]1 ZINC000268974688 488460103 /nfs/dbraw/zinc/46/01/03/488460103.db2.gz AKMSHABCNXMRNU-MRXNPFEDSA-N 2 2 373.457 0.402 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000246507963 488473560 /nfs/dbraw/zinc/47/35/60/488473560.db2.gz ZQCRXYANKYSLMJ-IAGOWNOFSA-N 2 2 361.490 0.844 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247042917 488480142 /nfs/dbraw/zinc/48/01/42/488480142.db2.gz YYHVPWFEHDIWDV-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247042917 488480146 /nfs/dbraw/zinc/48/01/46/488480146.db2.gz YYHVPWFEHDIWDV-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247042917 488480149 /nfs/dbraw/zinc/48/01/49/488480149.db2.gz YYHVPWFEHDIWDV-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247042917 488480151 /nfs/dbraw/zinc/48/01/51/488480151.db2.gz YYHVPWFEHDIWDV-RDJZCZTQSA-N 2 2 350.507 0.920 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC[NH+]1CCSCC1 ZINC000269233325 488481130 /nfs/dbraw/zinc/48/11/30/488481130.db2.gz JUCUXJLZZZBEFN-SFHVURJKSA-N 2 2 373.526 0.966 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245934 488483228 /nfs/dbraw/zinc/48/32/28/488483228.db2.gz YJDWMOMTKNULFZ-IRXDYDNUSA-N 2 2 360.458 0.796 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245934 488483230 /nfs/dbraw/zinc/48/32/30/488483230.db2.gz YJDWMOMTKNULFZ-IRXDYDNUSA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245934 488483232 /nfs/dbraw/zinc/48/32/32/488483232.db2.gz YJDWMOMTKNULFZ-IRXDYDNUSA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000247245934 488483234 /nfs/dbraw/zinc/48/32/34/488483234.db2.gz YJDWMOMTKNULFZ-IRXDYDNUSA-N 2 2 360.458 0.796 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000247291597 488484490 /nfs/dbraw/zinc/48/44/90/488484490.db2.gz FCCHHMIAURXAFF-IRXDYDNUSA-N 2 2 356.511 0.611 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000247291597 488484493 /nfs/dbraw/zinc/48/44/93/488484493.db2.gz FCCHHMIAURXAFF-IRXDYDNUSA-N 2 2 356.511 0.611 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000269304866 488489309 /nfs/dbraw/zinc/48/93/09/488489309.db2.gz ZSDYBBIOVIPPGF-CQSZACIVSA-N 2 2 361.446 0.376 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000269304866 488489310 /nfs/dbraw/zinc/48/93/10/488489310.db2.gz ZSDYBBIOVIPPGF-CQSZACIVSA-N 2 2 361.446 0.376 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248747473 488502318 /nfs/dbraw/zinc/50/23/18/488502318.db2.gz DTXXARQLQJZFHD-PMPSAXMXSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249115714 488505742 /nfs/dbraw/zinc/50/57/42/488505742.db2.gz YPHDAZRFMQVZNT-IPMKNSEASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249115714 488505745 /nfs/dbraw/zinc/50/57/45/488505745.db2.gz YPHDAZRFMQVZNT-IPMKNSEASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249115714 488505747 /nfs/dbraw/zinc/50/57/47/488505747.db2.gz YPHDAZRFMQVZNT-IPMKNSEASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000249115716 488506174 /nfs/dbraw/zinc/50/61/74/488506174.db2.gz YPHDAZRFMQVZNT-QRVBRYPASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000249115716 488506175 /nfs/dbraw/zinc/50/61/75/488506175.db2.gz YPHDAZRFMQVZNT-QRVBRYPASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000249115716 488506177 /nfs/dbraw/zinc/50/61/77/488506177.db2.gz YPHDAZRFMQVZNT-QRVBRYPASA-N 2 2 354.539 0.434 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000105082194 488507315 /nfs/dbraw/zinc/50/73/15/488507315.db2.gz UZTUAMCYAHPPAJ-ZBFHGGJFSA-N 2 2 350.463 0.928 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000105082194 488507317 /nfs/dbraw/zinc/50/73/17/488507317.db2.gz UZTUAMCYAHPPAJ-ZBFHGGJFSA-N 2 2 350.463 0.928 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270603431 488517250 /nfs/dbraw/zinc/51/72/50/488517250.db2.gz FBICZMSRZVORJY-UHFFFAOYSA-N 2 2 365.478 0.496 20 0 FCADLP CNC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271515647 488524196 /nfs/dbraw/zinc/52/41/96/488524196.db2.gz UDFXEIUNWPXDCM-CABCVRRESA-N 2 2 362.478 0.396 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000111291442 488529151 /nfs/dbraw/zinc/52/91/51/488529151.db2.gz HJJQMHDBULLQMG-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000111291442 488529152 /nfs/dbraw/zinc/52/91/52/488529152.db2.gz HJJQMHDBULLQMG-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000569991721 491208768 /nfs/dbraw/zinc/20/87/68/491208768.db2.gz DPRIERHIMRGWOK-STQMWFEESA-N 2 2 361.471 0.795 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2nonc21 ZINC000271625497 488532734 /nfs/dbraw/zinc/53/27/34/488532734.db2.gz FTELXCDNBBRHTC-UHFFFAOYSA-N 2 2 367.475 0.869 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2nonc21 ZINC000271625497 488532735 /nfs/dbraw/zinc/53/27/35/488532735.db2.gz FTELXCDNBBRHTC-UHFFFAOYSA-N 2 2 367.475 0.869 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753181 488534598 /nfs/dbraw/zinc/53/45/98/488534598.db2.gz FKTBCBQQQFZZGR-CABCVRRESA-N 2 2 362.478 0.247 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n(C)n1 ZINC000261753181 488534600 /nfs/dbraw/zinc/53/46/00/488534600.db2.gz FKTBCBQQQFZZGR-CABCVRRESA-N 2 2 362.478 0.247 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261784913 488535740 /nfs/dbraw/zinc/53/57/40/488535740.db2.gz HRUUMJFKOLBHBM-JQFCIGGWSA-N 2 2 362.449 0.932 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261784913 488535742 /nfs/dbraw/zinc/53/57/42/488535742.db2.gz HRUUMJFKOLBHBM-JQFCIGGWSA-N 2 2 362.449 0.932 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261829658 488537624 /nfs/dbraw/zinc/53/76/24/488537624.db2.gz JGSPGNOJOJFNTL-IRXDYDNUSA-N 2 2 350.507 0.921 20 0 FCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000113514940 488538287 /nfs/dbraw/zinc/53/82/87/488538287.db2.gz YFNXQWAYJSXVNT-AWEZNQCLSA-N 2 2 350.438 0.918 20 0 FCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000113514940 488538288 /nfs/dbraw/zinc/53/82/88/488538288.db2.gz YFNXQWAYJSXVNT-AWEZNQCLSA-N 2 2 350.438 0.918 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000261909899 488541584 /nfs/dbraw/zinc/54/15/84/488541584.db2.gz GOTKJWHIUPELKA-CQSZACIVSA-N 2 2 355.446 0.402 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000271752146 488544334 /nfs/dbraw/zinc/54/43/34/488544334.db2.gz XSTAAKDWJOLLDH-UHFFFAOYSA-N 2 2 357.462 0.909 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000272154180 488565368 /nfs/dbraw/zinc/56/53/68/488565368.db2.gz XZHSFHSZCDVDLL-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000272154180 488565369 /nfs/dbraw/zinc/56/53/69/488565369.db2.gz XZHSFHSZCDVDLL-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000272154180 488565370 /nfs/dbraw/zinc/56/53/70/488565370.db2.gz XZHSFHSZCDVDLL-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000272154180 488565371 /nfs/dbraw/zinc/56/53/71/488565371.db2.gz XZHSFHSZCDVDLL-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP COCC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[NH2+]CC1 ZINC000262359034 488566155 /nfs/dbraw/zinc/56/61/55/488566155.db2.gz JZSFPLKCKGABJC-UHFFFAOYSA-N 2 2 371.485 0.995 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000562996622 491206729 /nfs/dbraw/zinc/20/67/29/491206729.db2.gz RRYTVKNXBFUZME-YFHUEUNASA-N 2 2 351.495 0.449 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1cccs1 ZINC000262530902 488575856 /nfs/dbraw/zinc/57/58/56/488575856.db2.gz LYVPPLHKEJORQZ-LBPRGKRZSA-N 2 2 359.517 0.634 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000569973082 491206977 /nfs/dbraw/zinc/20/69/77/491206977.db2.gz XEZDVYQHCYCCEQ-HNNXBMFYSA-N 2 2 361.490 0.861 20 0 FCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262561288 488578096 /nfs/dbraw/zinc/57/80/96/488578096.db2.gz WJDCHJPKNPGRFI-JKSUJKDBSA-N 2 2 352.866 0.301 20 0 FCADLP COc1cc(OC)cc([C@H](NC(=O)[C@H]2C[NH2+]CCO2)c2[nH+]ccn2C)c1 ZINC000262679483 488585859 /nfs/dbraw/zinc/58/58/59/488585859.db2.gz WGDDOCADGLJVMX-CVEARBPZSA-N 2 2 360.414 0.631 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000123944721 488588935 /nfs/dbraw/zinc/58/89/35/488588935.db2.gz PZHSRMKTPMDHSJ-KRWDZBQOSA-N 2 2 374.485 0.915 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000262796975 488594197 /nfs/dbraw/zinc/59/41/97/488594197.db2.gz DSRPWLTWKNHPAU-MRXNPFEDSA-N 2 2 364.446 0.051 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000554584919 491211303 /nfs/dbraw/zinc/21/13/03/491211303.db2.gz PUJSEGWTCMIQPM-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000554584919 491211305 /nfs/dbraw/zinc/21/13/05/491211305.db2.gz PUJSEGWTCMIQPM-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC[NH+](CC)CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000125549363 488602581 /nfs/dbraw/zinc/60/25/81/488602581.db2.gz IZYMMFBXKFESTI-UHFFFAOYSA-N 2 2 353.511 0.668 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000263235099 488606841 /nfs/dbraw/zinc/60/68/41/488606841.db2.gz JIXQMQYAGQZNMU-SFHVURJKSA-N 2 2 357.458 0.989 20 0 FCADLP Cn1cc(N2CC[NH+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)cn1 ZINC000126101806 488606949 /nfs/dbraw/zinc/60/69/49/488606949.db2.gz SQJXHQGVODSUIM-UHFFFAOYSA-N 2 2 356.478 0.284 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000263266736 488608436 /nfs/dbraw/zinc/60/84/36/488608436.db2.gz NWEQEUFWDOYMRI-MRXNPFEDSA-N 2 2 362.430 0.010 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127494661 488617397 /nfs/dbraw/zinc/61/73/97/488617397.db2.gz BEFAHYWCKPNAHF-UHFFFAOYSA-N 3 2 369.554 0.813 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127494661 488617398 /nfs/dbraw/zinc/61/73/98/488617398.db2.gz BEFAHYWCKPNAHF-UHFFFAOYSA-N 3 2 369.554 0.813 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000563073839 491212437 /nfs/dbraw/zinc/21/24/37/491212437.db2.gz RJMXZVKDHDGJML-UONOGXRCSA-N 2 2 354.401 0.552 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130633540 488639453 /nfs/dbraw/zinc/63/94/53/488639453.db2.gz RWOVUTFZBMPACL-JKSUJKDBSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130633540 488639455 /nfs/dbraw/zinc/63/94/55/488639455.db2.gz RWOVUTFZBMPACL-JKSUJKDBSA-N 2 2 365.522 0.807 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130758996 488640518 /nfs/dbraw/zinc/64/05/18/488640518.db2.gz YCRJLGHPKKKJEQ-INIZCTEOSA-N 2 2 369.473 0.564 20 0 FCADLP CN1CCO[C@@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000130889450 488641504 /nfs/dbraw/zinc/64/15/04/488641504.db2.gz NOUINVFSWCBODQ-DLBZAZTESA-N 2 2 359.474 0.135 20 0 FCADLP CN1CCO[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000130889450 488641506 /nfs/dbraw/zinc/64/15/06/488641506.db2.gz NOUINVFSWCBODQ-DLBZAZTESA-N 2 2 359.474 0.135 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000130957440 488642041 /nfs/dbraw/zinc/64/20/41/488642041.db2.gz LZDKDMYBIYQLBZ-UKRRQHHQSA-N 2 2 356.492 0.547 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000130957440 488642044 /nfs/dbraw/zinc/64/20/44/488642044.db2.gz LZDKDMYBIYQLBZ-UKRRQHHQSA-N 2 2 356.492 0.547 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000132022553 488650077 /nfs/dbraw/zinc/65/00/77/488650077.db2.gz BOJDHJDXARYAGY-IAGOWNOFSA-N 2 2 360.568 0.806 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000264157612 488651034 /nfs/dbraw/zinc/65/10/34/488651034.db2.gz KNUAOGXAXRFMCU-UHFFFAOYSA-N 2 2 350.467 0.506 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000264157612 488651036 /nfs/dbraw/zinc/65/10/36/488651036.db2.gz KNUAOGXAXRFMCU-UHFFFAOYSA-N 2 2 350.467 0.506 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCCn1cc[nH+]c1 ZINC000132893904 488655950 /nfs/dbraw/zinc/65/59/50/488655950.db2.gz OSNMIHUEKFEXBQ-UHFFFAOYSA-N 2 2 370.457 0.913 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000133032267 488657405 /nfs/dbraw/zinc/65/74/05/488657405.db2.gz PAUNXYDGSPVSPA-INIZCTEOSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000133032267 488657407 /nfs/dbraw/zinc/65/74/07/488657407.db2.gz PAUNXYDGSPVSPA-INIZCTEOSA-N 2 2 370.563 0.826 20 0 FCADLP C[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCSCC1 ZINC000133143671 488657547 /nfs/dbraw/zinc/65/75/47/488657547.db2.gz BGKFJFSNDRNQDP-OAHLLOKOSA-N 2 2 363.531 0.887 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134925803 488670094 /nfs/dbraw/zinc/67/00/94/488670094.db2.gz HWCZVPDJPBYBAZ-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925803 488670086 /nfs/dbraw/zinc/67/00/86/488670086.db2.gz HWCZVPDJPBYBAZ-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925803 488670089 /nfs/dbraw/zinc/67/00/89/488670089.db2.gz HWCZVPDJPBYBAZ-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134925803 488670092 /nfs/dbraw/zinc/67/00/92/488670092.db2.gz HWCZVPDJPBYBAZ-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000563110526 491216510 /nfs/dbraw/zinc/21/65/10/491216510.db2.gz GGTQBAMYSQHWJH-CVEARBPZSA-N 2 2 359.474 0.706 20 0 FCADLP CC1CC[NH+](CC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000137251181 488680022 /nfs/dbraw/zinc/68/00/22/488680022.db2.gz XGBZNDUAFSEVOH-UHFFFAOYSA-N 2 2 350.507 0.779 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000137793277 488681190 /nfs/dbraw/zinc/68/11/90/488681190.db2.gz GHCXCLPCJXLSFN-DLBZAZTESA-N 2 2 374.489 0.787 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000137793277 488681191 /nfs/dbraw/zinc/68/11/91/488681191.db2.gz GHCXCLPCJXLSFN-DLBZAZTESA-N 2 2 374.489 0.787 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274145575 488685969 /nfs/dbraw/zinc/68/59/69/488685969.db2.gz BGGJLGGDORJEQI-SFHVURJKSA-N 2 2 367.515 0.903 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274145575 488685971 /nfs/dbraw/zinc/68/59/71/488685971.db2.gz BGGJLGGDORJEQI-SFHVURJKSA-N 2 2 367.515 0.903 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000264606045 488689533 /nfs/dbraw/zinc/68/95/33/488689533.db2.gz OJSMIGMQEKPHKZ-HNNXBMFYSA-N 2 2 358.446 0.516 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000264606045 488689534 /nfs/dbraw/zinc/68/95/34/488689534.db2.gz OJSMIGMQEKPHKZ-HNNXBMFYSA-N 2 2 358.446 0.516 20 0 FCADLP CN1CCN(c2cc(N3CCC(C[NH+]4CCOCC4)CC3)nc[nH+]2)CC1=O ZINC000274316141 488697633 /nfs/dbraw/zinc/69/76/33/488697633.db2.gz CAXOZQXPFZQTHM-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP CN1CCN(c2cc(N3CCC(C[NH+]4CCOCC4)CC3)[nH+]cn2)CC1=O ZINC000274316141 488697636 /nfs/dbraw/zinc/69/76/36/488697636.db2.gz CAXOZQXPFZQTHM-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000264692191 488699189 /nfs/dbraw/zinc/69/91/89/488699189.db2.gz ZOGYRMHTWRCQOW-KRWDZBQOSA-N 2 2 361.490 0.886 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000264692191 488699191 /nfs/dbraw/zinc/69/91/91/488699191.db2.gz ZOGYRMHTWRCQOW-KRWDZBQOSA-N 2 2 361.490 0.886 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150760714 488699597 /nfs/dbraw/zinc/69/95/97/488699597.db2.gz SSWFFCDYTRAXGI-QGZVFWFLSA-N 2 2 374.485 0.585 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150760714 488699599 /nfs/dbraw/zinc/69/95/99/488699599.db2.gz SSWFFCDYTRAXGI-QGZVFWFLSA-N 2 2 374.485 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H](C)O1 ZINC000274377896 488702277 /nfs/dbraw/zinc/70/22/77/488702277.db2.gz RUBQZEQJRSVEGS-GASCZTMLSA-N 2 2 362.478 0.666 20 0 FCADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H](C)O1 ZINC000274377896 488702279 /nfs/dbraw/zinc/70/22/79/488702279.db2.gz RUBQZEQJRSVEGS-GASCZTMLSA-N 2 2 362.478 0.666 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C[C@H](C)O1 ZINC000274377896 488702280 /nfs/dbraw/zinc/70/22/80/488702280.db2.gz RUBQZEQJRSVEGS-GASCZTMLSA-N 2 2 362.478 0.666 20 0 FCADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C[C@H](C)O1 ZINC000274377896 488702281 /nfs/dbraw/zinc/70/22/81/488702281.db2.gz RUBQZEQJRSVEGS-GASCZTMLSA-N 2 2 362.478 0.666 20 0 FCADLP C[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000151773821 488709531 /nfs/dbraw/zinc/70/95/31/488709531.db2.gz ABCOPVZBSHINSX-OAHLLOKOSA-N 2 2 363.531 0.887 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151977029 488711970 /nfs/dbraw/zinc/71/19/70/488711970.db2.gz AMDBESSNMZLFQY-QGZVFWFLSA-N 2 2 369.554 0.358 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151977029 488711973 /nfs/dbraw/zinc/71/19/73/488711973.db2.gz AMDBESSNMZLFQY-QGZVFWFLSA-N 2 2 369.554 0.358 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000152508553 488718706 /nfs/dbraw/zinc/71/87/06/488718706.db2.gz PLWJASCPORSMLO-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000152508553 488718708 /nfs/dbraw/zinc/71/87/08/488718708.db2.gz PLWJASCPORSMLO-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP C[NH+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152508553 488718710 /nfs/dbraw/zinc/71/87/10/488718710.db2.gz PLWJASCPORSMLO-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP C[NH+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152508553 488718711 /nfs/dbraw/zinc/71/87/11/488718711.db2.gz PLWJASCPORSMLO-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)cc1 ZINC000563101623 491215273 /nfs/dbraw/zinc/21/52/73/491215273.db2.gz JMNQPDDNBFAOLM-ZWKOTPCHSA-N 2 2 358.486 0.949 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)cc1 ZINC000563101623 491215274 /nfs/dbraw/zinc/21/52/74/491215274.db2.gz JMNQPDDNBFAOLM-ZWKOTPCHSA-N 2 2 358.486 0.949 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266941233 488746255 /nfs/dbraw/zinc/74/62/55/488746255.db2.gz RDGWPXXXPNDADJ-CQSZACIVSA-N 2 2 363.462 0.332 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cn2)CC1 ZINC000155062167 488750500 /nfs/dbraw/zinc/75/05/00/488750500.db2.gz GCCDCZMONBHTQC-SJORKVTESA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cn2)CC1 ZINC000155062167 488750503 /nfs/dbraw/zinc/75/05/03/488750503.db2.gz GCCDCZMONBHTQC-SJORKVTESA-N 2 2 374.489 0.058 20 0 FCADLP CC(C)[C@H](C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC000155164253 488752193 /nfs/dbraw/zinc/75/21/93/488752193.db2.gz DGEMWJJBYLGGGO-MRXNPFEDSA-N 2 2 361.490 0.986 20 0 FCADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000275039562 488755628 /nfs/dbraw/zinc/75/56/28/488755628.db2.gz XYVIZCIMYDJODT-SFHVURJKSA-N 2 2 367.453 0.968 20 0 FCADLP C[C@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000275059117 488757597 /nfs/dbraw/zinc/75/75/97/488757597.db2.gz OWXWXPGHIQOHTH-SFHVURJKSA-N 2 2 360.502 0.329 20 0 FCADLP Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000275131583 488764585 /nfs/dbraw/zinc/76/45/85/488764585.db2.gz BWIHGJJYNMKLPB-SFHVURJKSA-N 2 2 373.457 0.514 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)COC1 ZINC000157501306 488771791 /nfs/dbraw/zinc/77/17/91/488771791.db2.gz FYYLIGRFOYMSOD-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)COC1 ZINC000157501306 488771794 /nfs/dbraw/zinc/77/17/94/488771794.db2.gz FYYLIGRFOYMSOD-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000275208959 488772871 /nfs/dbraw/zinc/77/28/71/488772871.db2.gz FTHARYJLVHZRGY-UHFFFAOYSA-N 2 2 361.446 0.329 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000275208959 488772873 /nfs/dbraw/zinc/77/28/73/488772873.db2.gz FTHARYJLVHZRGY-UHFFFAOYSA-N 2 2 361.446 0.329 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000267302716 488775907 /nfs/dbraw/zinc/77/59/07/488775907.db2.gz YFXQUSULMYONHL-UHFFFAOYSA-N 2 2 357.462 0.347 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000563152184 491222618 /nfs/dbraw/zinc/22/26/18/491222618.db2.gz VQLPDOKQIBXHJO-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163948464 488809900 /nfs/dbraw/zinc/80/99/00/488809900.db2.gz WXCJQZNTDRAQEE-KRWDZBQOSA-N 2 2 357.458 0.747 20 0 FCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163948568 488809943 /nfs/dbraw/zinc/80/99/43/488809943.db2.gz WXCJQZNTDRAQEE-QGZVFWFLSA-N 2 2 357.458 0.747 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000165029291 488810811 /nfs/dbraw/zinc/81/08/11/488810811.db2.gz MKZDZEMNLDFQBP-INIZCTEOSA-N 2 2 350.507 0.921 20 0 FCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000166133753 488811412 /nfs/dbraw/zinc/81/14/12/488811412.db2.gz HQGQAJBGSNSPIK-CJNGLKHVSA-N 2 2 368.503 0.935 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267679449 488811449 /nfs/dbraw/zinc/81/14/49/488811449.db2.gz MPFLFBMQXQCASO-SFHVURJKSA-N 2 2 358.442 0.697 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000170767987 488816129 /nfs/dbraw/zinc/81/61/29/488816129.db2.gz IYVLZJJGQBQRAK-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000170767987 488816130 /nfs/dbraw/zinc/81/61/30/488816130.db2.gz IYVLZJJGQBQRAK-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP C[NH+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000170844882 488816699 /nfs/dbraw/zinc/81/66/99/488816699.db2.gz HAWFOAMXUXXNKM-UHFFFAOYSA-N 2 2 354.476 0.513 20 0 FCADLP C[NH+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000170844882 488816700 /nfs/dbraw/zinc/81/67/00/488816700.db2.gz HAWFOAMXUXXNKM-UHFFFAOYSA-N 2 2 354.476 0.513 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000170834644 488816720 /nfs/dbraw/zinc/81/67/20/488816720.db2.gz MBZGGVYWJCACLF-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000170834644 488816721 /nfs/dbraw/zinc/81/67/21/488816721.db2.gz MBZGGVYWJCACLF-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000171006769 488818868 /nfs/dbraw/zinc/81/88/68/488818868.db2.gz VIRJCVAUASUPJY-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000171006769 488818869 /nfs/dbraw/zinc/81/88/69/488818869.db2.gz VIRJCVAUASUPJY-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000171006769 488818871 /nfs/dbraw/zinc/81/88/71/488818871.db2.gz VIRJCVAUASUPJY-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000171006769 488818873 /nfs/dbraw/zinc/81/88/73/488818873.db2.gz VIRJCVAUASUPJY-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171718904 488826429 /nfs/dbraw/zinc/82/64/29/488826429.db2.gz OPRVHRQJTXFOSQ-QGZVFWFLSA-N 2 2 374.533 0.981 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CCN2CCOCC2)CC1 ZINC000171858532 488827616 /nfs/dbraw/zinc/82/76/16/488827616.db2.gz AXRPFBZLQOWNFI-UHFFFAOYSA-N 2 2 374.529 0.903 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CCN2CCOCC2)CC1 ZINC000171858532 488827617 /nfs/dbraw/zinc/82/76/17/488827617.db2.gz AXRPFBZLQOWNFI-UHFFFAOYSA-N 2 2 374.529 0.903 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000172323952 488832928 /nfs/dbraw/zinc/83/29/28/488832928.db2.gz AHDGCCWMYRWRIB-PKOBYXMFSA-N 2 2 374.485 0.339 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000172351788 488833443 /nfs/dbraw/zinc/83/34/43/488833443.db2.gz ICPWXHIZAYTIJB-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000172351788 488833445 /nfs/dbraw/zinc/83/34/45/488833445.db2.gz ICPWXHIZAYTIJB-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172698164 488836707 /nfs/dbraw/zinc/83/67/07/488836707.db2.gz XSJHHXVSJIPSPU-GOSISDBHSA-N 2 2 360.458 0.668 20 0 FCADLP CCC(CC)[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173592818 488843950 /nfs/dbraw/zinc/84/39/50/488843950.db2.gz JKKJHCURPJMYPV-AEFFLSMTSA-N 2 2 354.539 0.876 20 0 FCADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000173639857 488844059 /nfs/dbraw/zinc/84/40/59/488844059.db2.gz MSNSGWLFWHUBCO-SNVBAGLBSA-N 2 2 354.373 0.463 20 0 FCADLP CCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000173618635 488844159 /nfs/dbraw/zinc/84/41/59/488844159.db2.gz GOVIXDDRDVGWHA-GOEBONIOSA-N 2 2 359.536 0.873 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000173741913 488844962 /nfs/dbraw/zinc/84/49/62/488844962.db2.gz DTVOHKQVKRVDKP-GOSISDBHSA-N 2 2 367.538 0.519 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000173741913 488844963 /nfs/dbraw/zinc/84/49/63/488844963.db2.gz DTVOHKQVKRVDKP-GOSISDBHSA-N 2 2 367.538 0.519 20 0 FCADLP COCCOC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000173732155 488844991 /nfs/dbraw/zinc/84/49/91/488844991.db2.gz PSUYLQKMUGSOLG-KRWDZBQOSA-N 2 2 365.474 0.909 20 0 FCADLP COCCOC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000173732155 488844992 /nfs/dbraw/zinc/84/49/92/488844992.db2.gz PSUYLQKMUGSOLG-KRWDZBQOSA-N 2 2 365.474 0.909 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000174501614 488849397 /nfs/dbraw/zinc/84/93/97/488849397.db2.gz MVMWYPOFLKXGFD-YOEHRIQHSA-N 2 2 353.467 0.210 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000174545529 488849882 /nfs/dbraw/zinc/84/98/82/488849882.db2.gz DWKGYUOHFDBAMB-QGZVFWFLSA-N 2 2 374.485 0.663 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000174545529 488849883 /nfs/dbraw/zinc/84/98/83/488849883.db2.gz DWKGYUOHFDBAMB-QGZVFWFLSA-N 2 2 374.485 0.663 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174624488 488850137 /nfs/dbraw/zinc/85/01/37/488850137.db2.gz LONJXMQFONTRAY-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174624488 488850138 /nfs/dbraw/zinc/85/01/38/488850138.db2.gz LONJXMQFONTRAY-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000174691919 488850789 /nfs/dbraw/zinc/85/07/89/488850789.db2.gz ZLFKQQFWGXVIIN-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000174691919 488850790 /nfs/dbraw/zinc/85/07/90/488850790.db2.gz ZLFKQQFWGXVIIN-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000175085845 488852979 /nfs/dbraw/zinc/85/29/79/488852979.db2.gz OTZWXBNCXPYBQO-AWEZNQCLSA-N 2 2 364.515 0.727 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000175617954 488854638 /nfs/dbraw/zinc/85/46/38/488854638.db2.gz RVJWSBBUHXVRHD-HUUCEWRRSA-N 2 2 354.451 0.217 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000175710271 488855096 /nfs/dbraw/zinc/85/50/96/488855096.db2.gz PTKYXDGLGLVSRH-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000175710271 488855097 /nfs/dbraw/zinc/85/50/97/488855097.db2.gz PTKYXDGLGLVSRH-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000175710271 488855098 /nfs/dbraw/zinc/85/50/98/488855098.db2.gz PTKYXDGLGLVSRH-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000175710271 488855099 /nfs/dbraw/zinc/85/50/99/488855099.db2.gz PTKYXDGLGLVSRH-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000175778143 488855577 /nfs/dbraw/zinc/85/55/77/488855577.db2.gz KFXFPIFVTMXKRY-UHFFFAOYSA-N 2 2 374.493 0.927 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000175778143 488855578 /nfs/dbraw/zinc/85/55/78/488855578.db2.gz KFXFPIFVTMXKRY-UHFFFAOYSA-N 2 2 374.493 0.927 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176121834 488857410 /nfs/dbraw/zinc/85/74/10/488857410.db2.gz LQVCMFDTDQFNGB-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176121834 488857411 /nfs/dbraw/zinc/85/74/11/488857411.db2.gz LQVCMFDTDQFNGB-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)NC2CCCCC2)CC1 ZINC000177144997 488859147 /nfs/dbraw/zinc/85/91/47/488859147.db2.gz GJSHWYREYXEAMR-UHFFFAOYSA-N 2 2 353.511 0.761 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177378251 488859460 /nfs/dbraw/zinc/85/94/60/488859460.db2.gz YKNVQIQWRQADGH-MRXNPFEDSA-N 2 2 367.538 0.023 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177378251 488859461 /nfs/dbraw/zinc/85/94/61/488859461.db2.gz YKNVQIQWRQADGH-MRXNPFEDSA-N 2 2 367.538 0.023 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000177378251 488859462 /nfs/dbraw/zinc/85/94/62/488859462.db2.gz YKNVQIQWRQADGH-MRXNPFEDSA-N 2 2 367.538 0.023 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000177378251 488859463 /nfs/dbraw/zinc/85/94/63/488859463.db2.gz YKNVQIQWRQADGH-MRXNPFEDSA-N 2 2 367.538 0.023 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000179278715 488861044 /nfs/dbraw/zinc/86/10/44/488861044.db2.gz QCPASOHGVUCPDU-UHFFFAOYSA-N 2 2 365.444 0.902 20 0 FCADLP O=C(C[NH2+]C1(CO)CCOCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000329350795 488996084 /nfs/dbraw/zinc/99/60/84/488996084.db2.gz FDPGWEKRXIMCDE-UHFFFAOYSA-N 2 2 353.488 0.523 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000364823094 489006033 /nfs/dbraw/zinc/00/60/33/489006033.db2.gz OPFCNHZVBQTPQF-MRXNPFEDSA-N 2 2 361.446 0.455 20 0 FCADLP CC1=CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000280805917 489032750 /nfs/dbraw/zinc/03/27/50/489032750.db2.gz LJVJUMVSUXBCEV-UHFFFAOYSA-N 2 2 355.446 0.664 20 0 FCADLP CC1=CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000280805917 489032752 /nfs/dbraw/zinc/03/27/52/489032752.db2.gz LJVJUMVSUXBCEV-UHFFFAOYSA-N 2 2 355.446 0.664 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(Cc4cccnc4)nn3)C2)CC1 ZINC000329752857 489033282 /nfs/dbraw/zinc/03/32/82/489033282.db2.gz JSNWXUPVFYVMSG-IBGZPJMESA-N 2 2 355.490 0.933 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000289075134 489039865 /nfs/dbraw/zinc/03/98/65/489039865.db2.gz OBWXLJVAHHQMNW-JHNDHUHGSA-N 2 2 359.474 0.892 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1CC(C)(C)O ZINC000289210119 489049179 /nfs/dbraw/zinc/04/91/79/489049179.db2.gz MVMIEBHOIWCDOQ-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1CC(C)(C)O ZINC000289210119 489049183 /nfs/dbraw/zinc/04/91/83/489049183.db2.gz MVMIEBHOIWCDOQ-CQSZACIVSA-N 2 2 373.457 0.254 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(C(N)=O)c3)C2)CC1 ZINC000365260326 489055500 /nfs/dbraw/zinc/05/55/00/489055500.db2.gz QHEYJJBLWYIRPM-INIZCTEOSA-N 2 2 359.474 0.753 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(C(N)=O)c3)C2)CC1 ZINC000365260326 489055503 /nfs/dbraw/zinc/05/55/03/489055503.db2.gz QHEYJJBLWYIRPM-INIZCTEOSA-N 2 2 359.474 0.753 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC1)CC2 ZINC000563247536 491231238 /nfs/dbraw/zinc/23/12/38/491231238.db2.gz GYKIURGBSXRVRX-DOTOQJQBSA-N 2 2 373.501 0.909 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454523 489068656 /nfs/dbraw/zinc/06/86/56/489068656.db2.gz XRELTTLWAYVIAN-KGLIPLIRSA-N 2 2 361.446 0.979 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454523 489068657 /nfs/dbraw/zinc/06/86/57/489068657.db2.gz XRELTTLWAYVIAN-KGLIPLIRSA-N 2 2 361.446 0.979 20 0 FCADLP COCc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000330119343 489071057 /nfs/dbraw/zinc/07/10/57/489071057.db2.gz ZSLXXMLSZLBGMH-UHFFFAOYSA-N 2 2 351.451 0.896 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000289511637 489073112 /nfs/dbraw/zinc/07/31/12/489073112.db2.gz ABXPVYCHMJAEQR-RBSFLKMASA-N 2 2 357.458 0.518 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000289511637 489073114 /nfs/dbraw/zinc/07/31/14/489073114.db2.gz ABXPVYCHMJAEQR-RBSFLKMASA-N 2 2 357.458 0.518 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000289511600 489073349 /nfs/dbraw/zinc/07/33/49/489073349.db2.gz ABXPVYCHMJAEQR-KFWWJZLASA-N 2 2 357.458 0.518 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000289511600 489073350 /nfs/dbraw/zinc/07/33/50/489073350.db2.gz ABXPVYCHMJAEQR-KFWWJZLASA-N 2 2 357.458 0.518 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000570300220 491231967 /nfs/dbraw/zinc/23/19/67/491231967.db2.gz YPLIBVYSQXHVSP-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289597392 489080840 /nfs/dbraw/zinc/08/08/40/489080840.db2.gz ABOKYGOGLLRUAR-DLBZAZTESA-N 2 2 363.458 0.765 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000330251534 489084681 /nfs/dbraw/zinc/08/46/81/489084681.db2.gz NPRCROZGKOVRIF-INIZCTEOSA-N 2 2 364.494 1.163 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330292370 489088306 /nfs/dbraw/zinc/08/83/06/489088306.db2.gz HDJAORARGWLVOA-OAHLLOKOSA-N 2 2 360.462 0.751 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330292369 489088684 /nfs/dbraw/zinc/08/86/84/489088684.db2.gz HDJAORARGWLVOA-HNNXBMFYSA-N 2 2 360.462 0.751 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365584453 489090373 /nfs/dbraw/zinc/09/03/73/489090373.db2.gz MHCVDRLFJXUPPT-HOTGVXAUSA-N 2 2 352.479 0.092 20 0 FCADLP C[C@H](O)C[N@H+](CCO)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000289770592 489092124 /nfs/dbraw/zinc/09/21/24/489092124.db2.gz LGHNHAYJMOJDMY-HNNXBMFYSA-N 2 2 367.515 0.849 20 0 FCADLP C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000289770592 489092128 /nfs/dbraw/zinc/09/21/28/489092128.db2.gz LGHNHAYJMOJDMY-HNNXBMFYSA-N 2 2 367.515 0.849 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C2 ZINC000563260048 491233013 /nfs/dbraw/zinc/23/30/13/491233013.db2.gz OGZXSTQVWNFQKA-UONOGXRCSA-N 2 2 352.504 0.595 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C2 ZINC000563260048 491233016 /nfs/dbraw/zinc/23/30/16/491233016.db2.gz OGZXSTQVWNFQKA-UONOGXRCSA-N 2 2 352.504 0.595 20 0 FCADLP C[N@H+](C[C@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1)C1CC1 ZINC000289896886 489100470 /nfs/dbraw/zinc/10/04/70/489100470.db2.gz MUODTLZSJHJAFF-IBGZPJMESA-N 2 2 372.513 0.648 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1)C1CC1 ZINC000289896886 489100473 /nfs/dbraw/zinc/10/04/73/489100473.db2.gz MUODTLZSJHJAFF-IBGZPJMESA-N 2 2 372.513 0.648 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000570322281 491233922 /nfs/dbraw/zinc/23/39/22/491233922.db2.gz GODRKNAORQTPCB-JKSUJKDBSA-N 2 2 351.447 0.048 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000570322281 491233925 /nfs/dbraw/zinc/23/39/25/491233925.db2.gz GODRKNAORQTPCB-JKSUJKDBSA-N 2 2 351.447 0.048 20 0 FCADLP CC[N@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000282004209 489123915 /nfs/dbraw/zinc/12/39/15/489123915.db2.gz JCHFZIHBKJMXNO-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP CC[N@@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000282004209 489123919 /nfs/dbraw/zinc/12/39/19/489123919.db2.gz JCHFZIHBKJMXNO-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330649926 489128187 /nfs/dbraw/zinc/12/81/87/489128187.db2.gz JSLYBDCDIQNBNQ-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330649926 489128190 /nfs/dbraw/zinc/12/81/90/489128190.db2.gz JSLYBDCDIQNBNQ-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330649926 489128193 /nfs/dbraw/zinc/12/81/93/489128193.db2.gz JSLYBDCDIQNBNQ-UHFFFAOYSA-N 2 2 367.538 0.023 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000330649926 489128195 /nfs/dbraw/zinc/12/81/95/489128195.db2.gz JSLYBDCDIQNBNQ-UHFFFAOYSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000282150626 489138903 /nfs/dbraw/zinc/13/89/03/489138903.db2.gz SRHGMSIZNDYIIL-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP CC[N@@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000282150626 489138906 /nfs/dbraw/zinc/13/89/06/489138906.db2.gz SRHGMSIZNDYIIL-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000290640993 489155123 /nfs/dbraw/zinc/15/51/23/489155123.db2.gz ZMUPCJZNASMKKQ-HNNXBMFYSA-N 2 2 364.446 0.088 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183430 489156019 /nfs/dbraw/zinc/15/60/19/489156019.db2.gz HTSRDBJUYWWGIH-SJORKVTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183430 489156023 /nfs/dbraw/zinc/15/60/23/489156023.db2.gz HTSRDBJUYWWGIH-SJORKVTESA-N 2 2 354.495 0.506 20 0 FCADLP C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000282391898 489159904 /nfs/dbraw/zinc/15/99/04/489159904.db2.gz RDMIDYRBVOIPKJ-SFHVURJKSA-N 2 2 358.446 0.915 20 0 FCADLP CC(C)[C@@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331019706 489166329 /nfs/dbraw/zinc/16/63/29/489166329.db2.gz JFVXLHICIBITDB-LJQANCHMSA-N 2 2 368.522 0.090 20 0 FCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000555110211 491239075 /nfs/dbraw/zinc/23/90/75/491239075.db2.gz IAEHJIHACHGFMR-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000555110211 491239077 /nfs/dbraw/zinc/23/90/77/491239077.db2.gz IAEHJIHACHGFMR-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366422355 489180431 /nfs/dbraw/zinc/18/04/31/489180431.db2.gz VHLOJBKSBLTHDK-SJLPKXTDSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366422355 489180434 /nfs/dbraw/zinc/18/04/34/489180434.db2.gz VHLOJBKSBLTHDK-SJLPKXTDSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000331183399 489183053 /nfs/dbraw/zinc/18/30/53/489183053.db2.gz HXBGIOOBJDRRFU-HUUCEWRRSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000331183399 489183056 /nfs/dbraw/zinc/18/30/56/489183056.db2.gz HXBGIOOBJDRRFU-HUUCEWRRSA-N 2 2 355.504 0.824 20 0 FCADLP C[NH+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366465460 489185968 /nfs/dbraw/zinc/18/59/68/489185968.db2.gz XPMSBBYMHQKSHU-QZTJIDSGSA-N 2 2 366.506 0.602 20 0 FCADLP C[NH+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366465460 489185972 /nfs/dbraw/zinc/18/59/72/489185972.db2.gz XPMSBBYMHQKSHU-QZTJIDSGSA-N 2 2 366.506 0.602 20 0 FCADLP CCNC(=O)COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000570396742 491238010 /nfs/dbraw/zinc/23/80/10/491238010.db2.gz PDVOZGXNLLXPIU-HNNXBMFYSA-N 2 2 350.463 0.285 20 0 FCADLP CCNC(=O)COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000570396742 491238011 /nfs/dbraw/zinc/23/80/11/491238011.db2.gz PDVOZGXNLLXPIU-HNNXBMFYSA-N 2 2 350.463 0.285 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366500233 489189216 /nfs/dbraw/zinc/18/92/16/489189216.db2.gz CBVKSDPWWGFHQW-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366500233 489189218 /nfs/dbraw/zinc/18/92/18/489189218.db2.gz CBVKSDPWWGFHQW-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366500234 489189535 /nfs/dbraw/zinc/18/95/35/489189535.db2.gz CBVKSDPWWGFHQW-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366500234 489189538 /nfs/dbraw/zinc/18/95/38/489189538.db2.gz CBVKSDPWWGFHQW-ZWKOTPCHSA-N 2 2 368.522 0.992 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000297521464 489205781 /nfs/dbraw/zinc/20/57/81/489205781.db2.gz ONEXLORFACFLPO-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000297521464 489205783 /nfs/dbraw/zinc/20/57/83/489205783.db2.gz ONEXLORFACFLPO-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP CC(C)[C@](C)([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(N)=O ZINC000297598730 489212421 /nfs/dbraw/zinc/21/24/21/489212421.db2.gz JSZYBHWQOMXTML-KRWDZBQOSA-N 2 2 352.504 0.882 20 0 FCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297599487 489212554 /nfs/dbraw/zinc/21/25/54/489212554.db2.gz BKJLZRKOIJNYSD-UHFFFAOYSA-N 2 2 373.501 0.041 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283128138 489217952 /nfs/dbraw/zinc/21/79/52/489217952.db2.gz ZKESUWHIEVSZEY-AEFFLSMTSA-N 2 2 355.442 0.848 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283128138 489217955 /nfs/dbraw/zinc/21/79/55/489217955.db2.gz ZKESUWHIEVSZEY-AEFFLSMTSA-N 2 2 355.442 0.848 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283128138 489217958 /nfs/dbraw/zinc/21/79/58/489217958.db2.gz ZKESUWHIEVSZEY-AEFFLSMTSA-N 2 2 355.442 0.848 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283128138 489217962 /nfs/dbraw/zinc/21/79/62/489217962.db2.gz ZKESUWHIEVSZEY-AEFFLSMTSA-N 2 2 355.442 0.848 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000570425325 491240418 /nfs/dbraw/zinc/24/04/18/491240418.db2.gz VXLVEPLZTBIVOU-GOSISDBHSA-N 2 2 362.474 0.697 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000570425327 491240435 /nfs/dbraw/zinc/24/04/35/491240435.db2.gz VXLVEPLZTBIVOU-SFHVURJKSA-N 2 2 362.474 0.697 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCc2sccc2C1 ZINC000283226364 489229845 /nfs/dbraw/zinc/22/98/45/489229845.db2.gz BRLHGVJPUZVBFT-ZDUSSCGKSA-N 2 2 361.471 0.624 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+]1CCc2sccc2C1 ZINC000283226364 489229849 /nfs/dbraw/zinc/22/98/49/489229849.db2.gz BRLHGVJPUZVBFT-ZDUSSCGKSA-N 2 2 361.471 0.624 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000283240306 489232064 /nfs/dbraw/zinc/23/20/64/489232064.db2.gz LDPITIOHAGPNSU-UHFFFAOYSA-N 2 2 369.469 0.954 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000283240306 489232067 /nfs/dbraw/zinc/23/20/67/489232067.db2.gz LDPITIOHAGPNSU-UHFFFAOYSA-N 2 2 369.469 0.954 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332829847 489237083 /nfs/dbraw/zinc/23/70/83/489237083.db2.gz DBXYCVYZKKVFSE-IXDOHACOSA-N 2 2 354.495 0.384 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332829847 489237086 /nfs/dbraw/zinc/23/70/86/489237086.db2.gz DBXYCVYZKKVFSE-IXDOHACOSA-N 2 2 354.495 0.384 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297788243 489241128 /nfs/dbraw/zinc/24/11/28/489241128.db2.gz RCNAURRPQMHOOM-HZPDHXFCSA-N 2 2 365.478 0.329 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000297795672 489241427 /nfs/dbraw/zinc/24/14/27/489241427.db2.gz KULKYBQUABGLGG-KRWDZBQOSA-N 2 2 369.469 0.764 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000297795672 489241428 /nfs/dbraw/zinc/24/14/28/489241428.db2.gz KULKYBQUABGLGG-KRWDZBQOSA-N 2 2 369.469 0.764 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000297795677 489241501 /nfs/dbraw/zinc/24/15/01/489241501.db2.gz KULKYBQUABGLGG-QGZVFWFLSA-N 2 2 369.469 0.764 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000297795677 489241504 /nfs/dbraw/zinc/24/15/04/489241504.db2.gz KULKYBQUABGLGG-QGZVFWFLSA-N 2 2 369.469 0.764 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297806713 489243785 /nfs/dbraw/zinc/24/37/85/489243785.db2.gz RXSPCDCNZLQLKD-MRXNPFEDSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297806713 489243787 /nfs/dbraw/zinc/24/37/87/489243787.db2.gz RXSPCDCNZLQLKD-MRXNPFEDSA-N 2 2 367.453 0.958 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000297811432 489244470 /nfs/dbraw/zinc/24/44/70/489244470.db2.gz INYDAGSYIJCGTA-UHFFFAOYSA-N 2 2 371.441 0.844 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]21 ZINC000332929332 489247128 /nfs/dbraw/zinc/24/71/28/489247128.db2.gz ALFVZODCMHXOAB-DJIMGWMZSA-N 2 2 352.479 0.212 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]21 ZINC000332929332 489247130 /nfs/dbraw/zinc/24/71/30/489247130.db2.gz ALFVZODCMHXOAB-DJIMGWMZSA-N 2 2 352.479 0.212 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000297861953 489252909 /nfs/dbraw/zinc/25/29/09/489252909.db2.gz VWHFBANXVLLBFR-DOTOQJQBSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000297861958 489253317 /nfs/dbraw/zinc/25/33/17/489253317.db2.gz VWHFBANXVLLBFR-RDJZCZTQSA-N 2 2 359.474 0.989 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000297868727 489254463 /nfs/dbraw/zinc/25/44/63/489254463.db2.gz TXZRAMIQQJAPIG-HDICACEKSA-N 2 2 356.470 0.351 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000297868727 489254465 /nfs/dbraw/zinc/25/44/65/489254465.db2.gz TXZRAMIQQJAPIG-HDICACEKSA-N 2 2 356.470 0.351 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000283412168 489255858 /nfs/dbraw/zinc/25/58/58/489255858.db2.gz YUWUPSCLOOEILT-UHFFFAOYSA-N 2 2 372.429 0.142 20 0 FCADLP COCC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369599068 489256210 /nfs/dbraw/zinc/25/62/10/489256210.db2.gz GTJWQRKMDNEEII-WMZOPIPTSA-N 2 2 368.522 0.401 20 0 FCADLP COCC(=O)N[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369599068 489256212 /nfs/dbraw/zinc/25/62/12/489256212.db2.gz GTJWQRKMDNEEII-WMZOPIPTSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283416134 489256368 /nfs/dbraw/zinc/25/63/68/489256368.db2.gz ZAQJTFAKZAZNHY-HNNXBMFYSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283416134 489256370 /nfs/dbraw/zinc/25/63/70/489256370.db2.gz ZAQJTFAKZAZNHY-HNNXBMFYSA-N 2 2 363.462 0.101 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)CC1 ZINC000297929267 489264039 /nfs/dbraw/zinc/26/40/39/489264039.db2.gz DMPOLCCEOADZQU-UHFFFAOYSA-N 2 2 352.504 0.802 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000563406438 491242588 /nfs/dbraw/zinc/24/25/88/491242588.db2.gz JLRDQQHYJXUIDR-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283526977 489270414 /nfs/dbraw/zinc/27/04/14/489270414.db2.gz JJYWSTQJZJKPNH-UHFFFAOYSA-N 2 2 365.478 0.206 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC1CC[NH+](C)CC1 ZINC000369773904 489273615 /nfs/dbraw/zinc/27/36/15/489273615.db2.gz RJDNGBKPPREZEQ-KRWDZBQOSA-N 2 2 370.457 0.919 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1)N1CCCC1 ZINC000297992513 489274861 /nfs/dbraw/zinc/27/48/61/489274861.db2.gz YVSNUNLCEMDTAU-UHFFFAOYSA-N 2 2 370.457 0.784 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369789699 489276124 /nfs/dbraw/zinc/27/61/24/489276124.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369789699 489276128 /nfs/dbraw/zinc/27/61/28/489276128.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369789699 489276132 /nfs/dbraw/zinc/27/61/32/489276132.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369789699 489276136 /nfs/dbraw/zinc/27/61/36/489276136.db2.gz IVQAUZZCGKQDAM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C=O)CC1 ZINC000298029029 489280313 /nfs/dbraw/zinc/28/03/13/489280313.db2.gz FSBVLGDXPLCHSV-PKOBYXMFSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C=O)CC1 ZINC000298029029 489280315 /nfs/dbraw/zinc/28/03/15/489280315.db2.gz FSBVLGDXPLCHSV-PKOBYXMFSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029029 489280317 /nfs/dbraw/zinc/28/03/17/489280317.db2.gz FSBVLGDXPLCHSV-PKOBYXMFSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029029 489280319 /nfs/dbraw/zinc/28/03/19/489280319.db2.gz FSBVLGDXPLCHSV-PKOBYXMFSA-N 2 2 358.486 0.930 20 0 FCADLP COc1ccccc1CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000283698189 489292121 /nfs/dbraw/zinc/29/21/21/489292121.db2.gz XWRIRHHDWCYPHM-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283726094 489296247 /nfs/dbraw/zinc/29/62/47/489296247.db2.gz BSTMEKLDEVHUEO-CQSZACIVSA-N 2 2 351.451 0.548 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283726094 489296251 /nfs/dbraw/zinc/29/62/51/489296251.db2.gz BSTMEKLDEVHUEO-CQSZACIVSA-N 2 2 351.451 0.548 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284237235 489303671 /nfs/dbraw/zinc/30/36/71/489303671.db2.gz FKAPKGKBPGSMEV-UHFFFAOYSA-N 2 2 357.458 0.937 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243325 489304692 /nfs/dbraw/zinc/30/46/92/489304692.db2.gz LBKGURSTBAYIHY-HOTGVXAUSA-N 2 2 373.457 0.961 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccccc1 ZINC000284243325 489304695 /nfs/dbraw/zinc/30/46/95/489304695.db2.gz LBKGURSTBAYIHY-HOTGVXAUSA-N 2 2 373.457 0.961 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000284243294 489304796 /nfs/dbraw/zinc/30/47/96/489304796.db2.gz LBFWWFHSJQJXOZ-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccccc1F ZINC000284251214 489306274 /nfs/dbraw/zinc/30/62/74/489306274.db2.gz IBBRGLXFSYPZAR-INIZCTEOSA-N 2 2 373.432 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000284251214 489306277 /nfs/dbraw/zinc/30/62/77/489306277.db2.gz IBBRGLXFSYPZAR-INIZCTEOSA-N 2 2 373.432 0.975 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000298240201 489307773 /nfs/dbraw/zinc/30/77/73/489307773.db2.gz CIPKJRKMDWKOEV-UHFFFAOYSA-N 2 2 373.432 0.955 20 0 FCADLP COC(=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126724 489318827 /nfs/dbraw/zinc/31/88/27/489318827.db2.gz RJSRTWYOYSFCAR-GOEBONIOSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126724 489318829 /nfs/dbraw/zinc/31/88/29/489318829.db2.gz RJSRTWYOYSFCAR-GOEBONIOSA-N 2 2 368.478 0.128 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000370267521 489337536 /nfs/dbraw/zinc/33/75/36/489337536.db2.gz SHKZWPLPMPBGKG-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000370267521 489337538 /nfs/dbraw/zinc/33/75/38/489337538.db2.gz SHKZWPLPMPBGKG-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618330 489345476 /nfs/dbraw/zinc/34/54/76/489345476.db2.gz LGLIZRVJYZZTEH-IAGOWNOFSA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618330 489345478 /nfs/dbraw/zinc/34/54/78/489345478.db2.gz LGLIZRVJYZZTEH-IAGOWNOFSA-N 2 2 371.485 0.673 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000286013777 489346570 /nfs/dbraw/zinc/34/65/70/489346570.db2.gz JKWZGCPOLJXROJ-HNNXBMFYSA-N 2 2 369.469 0.942 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000286013777 489346573 /nfs/dbraw/zinc/34/65/73/489346573.db2.gz JKWZGCPOLJXROJ-HNNXBMFYSA-N 2 2 369.469 0.942 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000298703448 489354839 /nfs/dbraw/zinc/35/48/39/489354839.db2.gz FMSWAUZQBMDZAM-CQSZACIVSA-N 2 2 351.472 0.887 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000298703448 489354840 /nfs/dbraw/zinc/35/48/40/489354840.db2.gz FMSWAUZQBMDZAM-CQSZACIVSA-N 2 2 351.472 0.887 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000286166760 489363659 /nfs/dbraw/zinc/36/36/59/489363659.db2.gz QQEUJFKENAJHSL-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP COC(=O)COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000563481711 491250504 /nfs/dbraw/zinc/25/05/04/491250504.db2.gz YFTOYXGRULRAAI-GFCCVEGCSA-N 2 2 370.837 0.998 20 0 FCADLP COC(=O)COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000563481711 491250505 /nfs/dbraw/zinc/25/05/05/491250505.db2.gz YFTOYXGRULRAAI-GFCCVEGCSA-N 2 2 370.837 0.998 20 0 FCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000286256552 489374286 /nfs/dbraw/zinc/37/42/86/489374286.db2.gz VNYHNPFLGBYMRT-LJQANCHMSA-N 2 2 360.502 0.593 20 0 FCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000286256552 489374288 /nfs/dbraw/zinc/37/42/88/489374288.db2.gz VNYHNPFLGBYMRT-LJQANCHMSA-N 2 2 360.502 0.593 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C(N)=O ZINC000286267078 489374915 /nfs/dbraw/zinc/37/49/15/489374915.db2.gz RPQGGZDCOQFOKI-UKRRQHHQSA-N 2 2 350.488 0.446 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C(N)=O ZINC000286267078 489374917 /nfs/dbraw/zinc/37/49/17/489374917.db2.gz RPQGGZDCOQFOKI-UKRRQHHQSA-N 2 2 350.488 0.446 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000286392876 489386755 /nfs/dbraw/zinc/38/67/55/489386755.db2.gz BSUUKFDBDZKYHU-MSOLQXFVSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000286392876 489386757 /nfs/dbraw/zinc/38/67/57/489386757.db2.gz BSUUKFDBDZKYHU-MSOLQXFVSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000286392876 489386759 /nfs/dbraw/zinc/38/67/59/489386759.db2.gz BSUUKFDBDZKYHU-MSOLQXFVSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000286392876 489386762 /nfs/dbraw/zinc/38/67/62/489386762.db2.gz BSUUKFDBDZKYHU-MSOLQXFVSA-N 2 2 374.485 0.339 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362705213 489393628 /nfs/dbraw/zinc/39/36/28/489393628.db2.gz WSSGHUXWWIZXGZ-NJAFHUGGSA-N 2 2 360.506 0.483 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362705213 489393629 /nfs/dbraw/zinc/39/36/29/489393629.db2.gz WSSGHUXWWIZXGZ-NJAFHUGGSA-N 2 2 360.506 0.483 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000299070962 489401989 /nfs/dbraw/zinc/40/19/89/489401989.db2.gz GOWILYLZKHFBDY-UHFFFAOYSA-N 2 2 360.502 0.838 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000299070962 489401992 /nfs/dbraw/zinc/40/19/92/489401992.db2.gz GOWILYLZKHFBDY-UHFFFAOYSA-N 2 2 360.502 0.838 20 0 FCADLP CC[C@@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000370846533 489410655 /nfs/dbraw/zinc/41/06/55/489410655.db2.gz MUDXEMGDZRBSIA-LJQANCHMSA-N 2 2 359.474 0.626 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363006504 489410708 /nfs/dbraw/zinc/41/07/08/489410708.db2.gz LDPVZHFBRYZSGJ-RDJZCZTQSA-N 2 2 372.535 0.214 20 0 FCADLP CCC(=O)N1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856096 489413109 /nfs/dbraw/zinc/41/31/09/489413109.db2.gz JWLRFTCYSMGSNU-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856096 489413112 /nfs/dbraw/zinc/41/31/12/489413112.db2.gz JWLRFTCYSMGSNU-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000363055039 489417761 /nfs/dbraw/zinc/41/77/61/489417761.db2.gz XXXJPMFGIHFFLQ-INIZCTEOSA-N 2 2 362.449 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000363055039 489417764 /nfs/dbraw/zinc/41/77/64/489417764.db2.gz XXXJPMFGIHFFLQ-INIZCTEOSA-N 2 2 362.449 0.727 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070421 489418826 /nfs/dbraw/zinc/41/88/26/489418826.db2.gz OWMYORBCIHUIIY-QZTJIDSGSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070421 489418827 /nfs/dbraw/zinc/41/88/27/489418827.db2.gz OWMYORBCIHUIIY-QZTJIDSGSA-N 2 2 359.474 0.772 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000299266192 489426549 /nfs/dbraw/zinc/42/65/49/489426549.db2.gz ZZGQLIOXPICTCG-UHFFFAOYSA-N 2 2 368.428 0.629 20 0 FCADLP CCOCCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371002785 489436389 /nfs/dbraw/zinc/43/63/89/489436389.db2.gz DCGWNOOWMYFSFC-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP CCOCCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371002785 489436392 /nfs/dbraw/zinc/43/63/92/489436392.db2.gz DCGWNOOWMYFSFC-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021576 489438871 /nfs/dbraw/zinc/43/88/71/489438871.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021576 489438874 /nfs/dbraw/zinc/43/88/74/489438874.db2.gz ZZATUXUKTZRGSW-JKSUJKDBSA-N 3 2 353.511 0.175 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299469062 489445042 /nfs/dbraw/zinc/44/50/42/489445042.db2.gz FZQXABCAIVGMAI-MRXNPFEDSA-N 2 2 374.489 0.371 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299469062 489445044 /nfs/dbraw/zinc/44/50/44/489445044.db2.gz FZQXABCAIVGMAI-MRXNPFEDSA-N 2 2 374.489 0.371 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)n1C ZINC000287097464 489460426 /nfs/dbraw/zinc/46/04/26/489460426.db2.gz VVPIFINXHMUSSH-UHFFFAOYSA-N 2 2 355.402 0.066 20 0 FCADLP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000299612666 489461913 /nfs/dbraw/zinc/46/19/13/489461913.db2.gz XXBHAHNXGZNRGM-AWEZNQCLSA-N 2 2 354.476 0.143 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCNC(=O)C[C@@H]3C)CC2)c1 ZINC000371183507 489463611 /nfs/dbraw/zinc/46/36/11/489463611.db2.gz JEABTASZAUODDH-KRWDZBQOSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCNC(=O)C[C@@H]3C)CC2)c1 ZINC000371183507 489463615 /nfs/dbraw/zinc/46/36/15/489463615.db2.gz JEABTASZAUODDH-KRWDZBQOSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)[NH+]1CCN(C)CC1 ZINC000363413444 489464128 /nfs/dbraw/zinc/46/41/28/489464128.db2.gz CJUDYUYFRSEQQT-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1 ZINC000363560065 489478995 /nfs/dbraw/zinc/47/89/95/489478995.db2.gz JVEBGXQGUCIUOZ-MRXNPFEDSA-N 2 2 363.458 0.727 20 0 FCADLP CCCN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[NH2+]C1 ZINC000563579356 491256319 /nfs/dbraw/zinc/25/63/19/491256319.db2.gz JOAVQCJTDMRWAN-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423092950 489492645 /nfs/dbraw/zinc/49/26/45/489492645.db2.gz DZEKYAOGXLJMPM-DZGCQCFKSA-N 2 2 359.467 0.803 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423099741 489493776 /nfs/dbraw/zinc/49/37/76/489493776.db2.gz MKIUXQRWKIVWOD-AAEUAGOBSA-N 2 2 363.430 0.600 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423240656 489506260 /nfs/dbraw/zinc/50/62/60/489506260.db2.gz CNEXKLLZYDYYKZ-HXUWFJFHSA-N 2 2 374.485 0.537 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423252404 489507283 /nfs/dbraw/zinc/50/72/83/489507283.db2.gz UFHSWMYHAAPQTA-CVEARBPZSA-N 2 2 374.485 0.535 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)c1 ZINC000423260145 489508590 /nfs/dbraw/zinc/50/85/90/489508590.db2.gz PQHWPMKUUVJGFD-RVKKMQEKSA-N 2 2 374.485 0.706 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc(N)[nH+]c3)CC2)c1 ZINC000414816782 489511630 /nfs/dbraw/zinc/51/16/30/489511630.db2.gz QPMHNIULPXYPNC-UHFFFAOYSA-N 2 2 356.386 0.355 20 0 FCADLP C[NH2+]CCN(C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415022842 489512486 /nfs/dbraw/zinc/51/24/86/489512486.db2.gz LRXYBFIQGYJXOU-UHFFFAOYSA-N 2 2 369.491 0.306 20 0 FCADLP C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]1C[NH3+] ZINC000415188370 489513122 /nfs/dbraw/zinc/51/31/22/489513122.db2.gz OBBCXIYVXKGPIO-LSDHHAIUSA-N 2 2 350.467 0.806 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000415416203 489518332 /nfs/dbraw/zinc/51/83/32/489518332.db2.gz NAOYVPKRECCWHP-CABCVRRESA-N 2 2 360.458 0.839 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000415421795 489518723 /nfs/dbraw/zinc/51/87/23/489518723.db2.gz VTUSDSHRFXHQCO-HNNXBMFYSA-N 2 2 361.490 0.568 20 0 FCADLP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372110413 489545486 /nfs/dbraw/zinc/54/54/86/489545486.db2.gz DEERNGQKSOKETB-KRWDZBQOSA-N 2 2 351.491 0.955 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000372115311 489546101 /nfs/dbraw/zinc/54/61/01/489546101.db2.gz GGACYDZBNIUXTL-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000372115311 489546102 /nfs/dbraw/zinc/54/61/02/489546102.db2.gz GGACYDZBNIUXTL-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115311 489546104 /nfs/dbraw/zinc/54/61/04/489546104.db2.gz GGACYDZBNIUXTL-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000453978747 489557054 /nfs/dbraw/zinc/55/70/54/489557054.db2.gz ZJTGHOXQFREIIG-HDICACEKSA-N 2 2 374.485 0.709 20 0 FCADLP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000453978747 489557056 /nfs/dbraw/zinc/55/70/56/489557056.db2.gz ZJTGHOXQFREIIG-HDICACEKSA-N 2 2 374.485 0.709 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415848798 489558396 /nfs/dbraw/zinc/55/83/96/489558396.db2.gz DRFVYTWGOHFCIK-HNNXBMFYSA-N 2 2 369.425 0.832 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372483579 489589195 /nfs/dbraw/zinc/58/91/95/489589195.db2.gz VOIAKSLQCBBWIP-MRXNPFEDSA-N 2 2 355.446 0.659 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H](n2cncn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372483579 489589197 /nfs/dbraw/zinc/58/91/97/489589197.db2.gz VOIAKSLQCBBWIP-MRXNPFEDSA-N 2 2 355.446 0.659 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccn2)CC1 ZINC000456221749 489611073 /nfs/dbraw/zinc/61/10/73/489611073.db2.gz YQEOHGGAIMHCPK-CALCHBBNSA-N 2 2 359.474 0.426 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)ccn2)CC1 ZINC000456221749 489611077 /nfs/dbraw/zinc/61/10/77/489611077.db2.gz YQEOHGGAIMHCPK-CALCHBBNSA-N 2 2 359.474 0.426 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc2)CC1 ZINC000456220755 489611278 /nfs/dbraw/zinc/61/12/78/489611278.db2.gz XJJQKOMZARBFPF-ZCNNSNEGSA-N 2 2 372.513 0.955 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc2)CC1 ZINC000456220755 489611280 /nfs/dbraw/zinc/61/12/80/489611280.db2.gz XJJQKOMZARBFPF-ZCNNSNEGSA-N 2 2 372.513 0.955 20 0 FCADLP COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+](C)C1 ZINC000416575833 489612940 /nfs/dbraw/zinc/61/29/40/489612940.db2.gz BZWQJIKNYSPPGY-HNNXBMFYSA-N 2 2 369.487 0.474 20 0 FCADLP COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+](C)C1 ZINC000416575833 489612942 /nfs/dbraw/zinc/61/29/42/489612942.db2.gz BZWQJIKNYSPPGY-HNNXBMFYSA-N 2 2 369.487 0.474 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428034350 489633381 /nfs/dbraw/zinc/63/33/81/489633381.db2.gz NZUVBYBRHWCQIM-IRXDYDNUSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428034350 489633385 /nfs/dbraw/zinc/63/33/85/489633385.db2.gz NZUVBYBRHWCQIM-IRXDYDNUSA-N 2 2 350.507 0.776 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000372775865 489635425 /nfs/dbraw/zinc/63/54/25/489635425.db2.gz JUYARAOOUPLMPI-SJLPKXTDSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000372775865 489635429 /nfs/dbraw/zinc/63/54/29/489635429.db2.gz JUYARAOOUPLMPI-SJLPKXTDSA-N 2 2 351.491 0.811 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+](C)C1 ZINC000417112017 489641607 /nfs/dbraw/zinc/64/16/07/489641607.db2.gz IQGPVVBIZHUWKB-OAHLLOKOSA-N 2 2 372.429 0.895 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+](C)C1 ZINC000417112017 489641608 /nfs/dbraw/zinc/64/16/08/489641608.db2.gz IQGPVVBIZHUWKB-OAHLLOKOSA-N 2 2 372.429 0.895 20 0 FCADLP [NH3+]CC[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)F ZINC000417255862 489645637 /nfs/dbraw/zinc/64/56/37/489645637.db2.gz FNNAPWNJOUJUPZ-BXUZGUMPSA-N 2 2 352.451 0.476 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257257 489645773 /nfs/dbraw/zinc/64/57/73/489645773.db2.gz HMRBJASPGXKNAU-NVXWUHKLSA-N 2 2 356.536 0.965 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000417272952 489646207 /nfs/dbraw/zinc/64/62/07/489646207.db2.gz RTUIDAHEXNJLQL-PBHICJAKSA-N 2 2 356.536 0.963 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417275025 489646267 /nfs/dbraw/zinc/64/62/67/489646267.db2.gz UZDPXZDDZYKZKH-UXLLHSPISA-N 2 2 356.536 0.963 20 0 FCADLP C[NH2+]CCCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417296439 489646673 /nfs/dbraw/zinc/64/66/73/489646673.db2.gz MFOKBJRUTJDYMK-UHFFFAOYSA-N 2 2 350.463 0.806 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC[C@H]1CCC[NH2+]1 ZINC000417301063 489647281 /nfs/dbraw/zinc/64/72/81/489647281.db2.gz UWLRUQNPSWOXLR-QGZVFWFLSA-N 2 2 362.474 0.949 20 0 FCADLP [NH3+]CCCCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417300455 489647473 /nfs/dbraw/zinc/64/74/73/489647473.db2.gz UAHCFAVQVMYJID-UHFFFAOYSA-N 2 2 350.463 0.936 20 0 FCADLP C[C@@H](NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000417305419 489647569 /nfs/dbraw/zinc/64/75/69/489647569.db2.gz AUTLFYRYYMGSMV-LSDHHAIUSA-N 2 2 350.463 0.933 20 0 FCADLP CC[NH2+]CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417317453 489647834 /nfs/dbraw/zinc/64/78/34/489647834.db2.gz INJGQJUHHAJJPJ-UHFFFAOYSA-N 2 2 350.463 0.806 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@@H](C)O1 ZINC000457580221 489649613 /nfs/dbraw/zinc/64/96/13/489649613.db2.gz PFHTZKXMGRISBE-YYIAUSFCSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@@H](C)O1 ZINC000457580221 489649618 /nfs/dbraw/zinc/64/96/18/489649618.db2.gz PFHTZKXMGRISBE-YYIAUSFCSA-N 2 2 356.511 0.582 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457618309 489651488 /nfs/dbraw/zinc/65/14/88/489651488.db2.gz ZWEXKCJZCPKYNM-IAGOWNOFSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CCOCC1 ZINC000457618309 489651491 /nfs/dbraw/zinc/65/14/91/489651491.db2.gz ZWEXKCJZCPKYNM-IAGOWNOFSA-N 2 2 356.511 0.441 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000373128438 489671111 /nfs/dbraw/zinc/67/11/11/489671111.db2.gz VCUMBBZAIUPQHW-IAGOWNOFSA-N 2 2 373.505 0.334 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000373128438 489671113 /nfs/dbraw/zinc/67/11/13/489671113.db2.gz VCUMBBZAIUPQHW-IAGOWNOFSA-N 2 2 373.505 0.334 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859958 491270226 /nfs/dbraw/zinc/27/02/26/491270226.db2.gz QIWLBGMCAKVSMS-PBHICJAKSA-N 2 2 366.510 0.110 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859958 491270228 /nfs/dbraw/zinc/27/02/28/491270228.db2.gz QIWLBGMCAKVSMS-PBHICJAKSA-N 2 2 366.510 0.110 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H](C[NH3+])CC(C)C)([NH+]2CCOCC2)C1 ZINC000418079562 489677826 /nfs/dbraw/zinc/67/78/26/489677826.db2.gz ALLSXGHIMYAMPY-KLHKWILBSA-N 2 2 356.511 0.929 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000458390511 489680522 /nfs/dbraw/zinc/68/05/22/489680522.db2.gz IDRMTJJKISBJGP-GOSISDBHSA-N 2 2 369.554 0.502 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000458390511 489680526 /nfs/dbraw/zinc/68/05/26/489680526.db2.gz IDRMTJJKISBJGP-GOSISDBHSA-N 2 2 369.554 0.502 20 0 FCADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000429519741 489690546 /nfs/dbraw/zinc/69/05/46/489690546.db2.gz KTHKJJJGYKFTAP-CRAIPNDOSA-N 2 2 374.485 0.503 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418305582 489690760 /nfs/dbraw/zinc/69/07/60/489690760.db2.gz OYAYEEMPNRWYFK-UHFFFAOYSA-N 2 2 361.490 0.298 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418431016 489698398 /nfs/dbraw/zinc/69/83/98/489698398.db2.gz VYRUZKFLVPSIEP-HNNXBMFYSA-N 2 2 353.511 0.842 20 0 FCADLP COCC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000418511332 489703293 /nfs/dbraw/zinc/70/32/93/489703293.db2.gz RGCBPJMQMSWSBI-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418594786 489708941 /nfs/dbraw/zinc/70/89/41/489708941.db2.gz NNOJHWVZYHYCTO-CZUORRHYSA-N 2 2 351.495 0.498 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC000469522920 489710165 /nfs/dbraw/zinc/71/01/65/489710165.db2.gz ZZYWDDCYMYEJNM-SFHVURJKSA-N 2 2 363.458 0.509 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC000469522920 489710168 /nfs/dbraw/zinc/71/01/68/489710168.db2.gz ZZYWDDCYMYEJNM-SFHVURJKSA-N 2 2 363.458 0.509 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000469522920 489710174 /nfs/dbraw/zinc/71/01/74/489710174.db2.gz ZZYWDDCYMYEJNM-SFHVURJKSA-N 2 2 363.458 0.509 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000469522920 489710178 /nfs/dbraw/zinc/71/01/78/489710178.db2.gz ZZYWDDCYMYEJNM-SFHVURJKSA-N 2 2 363.458 0.509 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000469549016 489712208 /nfs/dbraw/zinc/71/22/08/489712208.db2.gz GCHMWHWANGKYEY-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@](O)(CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)C[NH+]1CCOCC1 ZINC000418633359 489713781 /nfs/dbraw/zinc/71/37/81/489713781.db2.gz ICNFQDGYOILGKZ-IEBWSBKVSA-N 2 2 362.474 0.256 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000570919315 491273209 /nfs/dbraw/zinc/27/32/09/491273209.db2.gz UYYIODIXSWRZQR-JQHSSLGASA-N 2 2 356.470 0.540 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000570919315 491273211 /nfs/dbraw/zinc/27/32/11/491273211.db2.gz UYYIODIXSWRZQR-JQHSSLGASA-N 2 2 356.470 0.540 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864020 491273630 /nfs/dbraw/zinc/27/36/30/491273630.db2.gz FRFVMSXJDZWAPH-IXDOHACOSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864020 491273632 /nfs/dbraw/zinc/27/36/32/491273632.db2.gz FRFVMSXJDZWAPH-IXDOHACOSA-N 2 2 358.442 0.804 20 0 FCADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418689248 489718182 /nfs/dbraw/zinc/71/81/82/489718182.db2.gz FQZIVPHJBDVCGU-HZPDHXFCSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@@H](CCC[NH3+])NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418698348 489718990 /nfs/dbraw/zinc/71/89/90/489718990.db2.gz HKLWKYPLKOJPRQ-HOTGVXAUSA-N 2 2 353.511 0.842 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418731859 489720402 /nfs/dbraw/zinc/72/04/02/489720402.db2.gz TZSPUEVPYPVULE-HOTGVXAUSA-N 2 2 353.511 0.700 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000555802205 491274036 /nfs/dbraw/zinc/27/40/36/491274036.db2.gz BLDQCGMIHFLZJM-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000555802205 491274037 /nfs/dbraw/zinc/27/40/37/491274037.db2.gz BLDQCGMIHFLZJM-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459272777 489725119 /nfs/dbraw/zinc/72/51/19/489725119.db2.gz XREDVLRFECIKPL-KRWDZBQOSA-N 2 2 367.538 0.914 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459272777 489725121 /nfs/dbraw/zinc/72/51/21/489725121.db2.gz XREDVLRFECIKPL-KRWDZBQOSA-N 2 2 367.538 0.914 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000470446124 489725937 /nfs/dbraw/zinc/72/59/37/489725937.db2.gz YTLMYEKPCUGLOG-QGZVFWFLSA-N 2 2 361.490 0.674 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000470446124 489725940 /nfs/dbraw/zinc/72/59/40/489725940.db2.gz YTLMYEKPCUGLOG-QGZVFWFLSA-N 2 2 361.490 0.674 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000555870054 491278585 /nfs/dbraw/zinc/27/85/85/491278585.db2.gz OEPJYVCIEQGDOZ-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000555870054 491278587 /nfs/dbraw/zinc/27/85/87/491278587.db2.gz OEPJYVCIEQGDOZ-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000489798459 489728851 /nfs/dbraw/zinc/72/88/51/489728851.db2.gz XUTMGFNBXMZBNH-HNNXBMFYSA-N 2 2 368.428 0.884 20 0 FCADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000489829903 489730164 /nfs/dbraw/zinc/73/01/64/489730164.db2.gz UPPRTSJJVYNQJR-OAHLLOKOSA-N 2 2 361.446 0.323 20 0 FCADLP CC(C)CN1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)C1=O ZINC000430310396 489730493 /nfs/dbraw/zinc/73/04/93/489730493.db2.gz ATXBDTUABQGUCV-INIZCTEOSA-N 2 2 367.538 0.911 20 0 FCADLP NC(=O)C1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCCC1 ZINC000430407890 489736559 /nfs/dbraw/zinc/73/65/59/489736559.db2.gz PAMWMAQFIMZSDG-KRWDZBQOSA-N 2 2 369.469 0.963 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489960817 489737846 /nfs/dbraw/zinc/73/78/46/489737846.db2.gz YJHFFVAHUGUEGX-DOTOQJQBSA-N 2 2 359.474 0.380 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418832203 489744420 /nfs/dbraw/zinc/74/44/20/489744420.db2.gz LWUPDKFXFVJMHA-KBAYOESNSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418832203 489744425 /nfs/dbraw/zinc/74/44/25/489744425.db2.gz LWUPDKFXFVJMHA-KBAYOESNSA-N 2 2 374.485 0.199 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418831579 489744517 /nfs/dbraw/zinc/74/45/17/489744517.db2.gz KYJJYGJTRJWOSC-MSOLQXFVSA-N 2 2 374.485 0.343 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418831579 489744522 /nfs/dbraw/zinc/74/45/22/489744522.db2.gz KYJJYGJTRJWOSC-MSOLQXFVSA-N 2 2 374.485 0.343 20 0 FCADLP C[C@](C[NH3+])([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000430548316 489745104 /nfs/dbraw/zinc/74/51/04/489745104.db2.gz GWPNRUXHWPIHPL-GOSISDBHSA-N 3 2 352.523 0.855 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430560961 489746115 /nfs/dbraw/zinc/74/61/15/489746115.db2.gz JGNDCBUAZROKAG-KPZWWZAWSA-N 2 2 350.438 0.836 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564514 489747633 /nfs/dbraw/zinc/74/76/33/489747633.db2.gz BNTQJMSSTHTYRS-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564514 489747635 /nfs/dbraw/zinc/74/76/35/489747635.db2.gz BNTQJMSSTHTYRS-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c1C ZINC000430584341 489748383 /nfs/dbraw/zinc/74/83/83/489748383.db2.gz PCULBDLSXQJPMF-MRXNPFEDSA-N 2 2 354.476 0.606 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430580737 489748398 /nfs/dbraw/zinc/74/83/98/489748398.db2.gz FMMPHBDVGLTGMZ-MRXNPFEDSA-N 2 2 372.517 0.978 20 0 FCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000430598836 489751074 /nfs/dbraw/zinc/75/10/74/489751074.db2.gz UIWGZXSYPHAWGY-QGZVFWFLSA-N 2 2 350.488 0.750 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418840870 489751368 /nfs/dbraw/zinc/75/13/68/489751368.db2.gz YHDADWCWVWAWKJ-WMZOPIPTSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418840870 489751370 /nfs/dbraw/zinc/75/13/70/489751370.db2.gz YHDADWCWVWAWKJ-WMZOPIPTSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418840868 489751593 /nfs/dbraw/zinc/75/15/93/489751593.db2.gz YHDADWCWVWAWKJ-FUHWJXTLSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418840868 489751596 /nfs/dbraw/zinc/75/15/96/489751596.db2.gz YHDADWCWVWAWKJ-FUHWJXTLSA-N 2 2 374.485 0.119 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000459803026 489754170 /nfs/dbraw/zinc/75/41/70/489754170.db2.gz BMOSJENWSOMMFW-UHFFFAOYSA-N 2 2 366.506 0.111 20 0 FCADLP CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570962229 491276897 /nfs/dbraw/zinc/27/68/97/491276897.db2.gz OPPRZANERFUIHY-HNNXBMFYSA-N 2 2 353.488 0.513 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620961 489755969 /nfs/dbraw/zinc/75/59/69/489755969.db2.gz ITNWTIQXXAETAV-ZDUSSCGKSA-N 2 2 352.866 0.708 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430620961 489755972 /nfs/dbraw/zinc/75/59/72/489755972.db2.gz ITNWTIQXXAETAV-ZDUSSCGKSA-N 2 2 352.866 0.708 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621560 489756335 /nfs/dbraw/zinc/75/63/35/489756335.db2.gz DOUMOYVZABBZIZ-LBPRGKRZSA-N 2 2 370.400 0.979 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430621560 489756338 /nfs/dbraw/zinc/75/63/38/489756338.db2.gz DOUMOYVZABBZIZ-LBPRGKRZSA-N 2 2 370.400 0.979 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430627003 489757331 /nfs/dbraw/zinc/75/73/31/489757331.db2.gz LQGJDMOGPYMHMH-INIZCTEOSA-N 3 2 360.502 0.947 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000430627594 489757420 /nfs/dbraw/zinc/75/74/20/489757420.db2.gz MLOOFBCURIPUOE-UHFFFAOYSA-N 3 2 352.523 0.822 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000430627594 489757427 /nfs/dbraw/zinc/75/74/27/489757427.db2.gz MLOOFBCURIPUOE-UHFFFAOYSA-N 3 2 352.523 0.822 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000555855146 491277009 /nfs/dbraw/zinc/27/70/09/491277009.db2.gz QEMFFVACDFPPNF-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000555855146 491277011 /nfs/dbraw/zinc/27/70/11/491277011.db2.gz QEMFFVACDFPPNF-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634672 489758736 /nfs/dbraw/zinc/75/87/36/489758736.db2.gz DXRYSOFJMVSIKX-CHWSQXEVSA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634672 489758738 /nfs/dbraw/zinc/75/87/38/489758738.db2.gz DXRYSOFJMVSIKX-CHWSQXEVSA-N 2 2 354.476 0.592 20 0 FCADLP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632379 489759507 /nfs/dbraw/zinc/75/95/07/489759507.db2.gz XFQBLZULVSJFDS-CQSZACIVSA-N 2 2 362.499 0.877 20 0 FCADLP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632379 489759510 /nfs/dbraw/zinc/75/95/10/489759510.db2.gz XFQBLZULVSJFDS-CQSZACIVSA-N 2 2 362.499 0.877 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643294 489762524 /nfs/dbraw/zinc/76/25/24/489762524.db2.gz WYFHDVYZWVDZCN-OAHLLOKOSA-N 2 2 362.478 0.119 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643294 489762529 /nfs/dbraw/zinc/76/25/29/489762529.db2.gz WYFHDVYZWVDZCN-OAHLLOKOSA-N 2 2 362.478 0.119 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1)N1CC[NH2+]CC1 ZINC000430651569 489763580 /nfs/dbraw/zinc/76/35/80/489763580.db2.gz VYVIXDVPAAYFEB-NSHDSACASA-N 2 2 361.368 0.818 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1)N1CC[NH2+]CC1 ZINC000430651569 489763587 /nfs/dbraw/zinc/76/35/87/489763587.db2.gz VYVIXDVPAAYFEB-NSHDSACASA-N 2 2 361.368 0.818 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NCC[NH+]1CCOCC1 ZINC000430706396 489765672 /nfs/dbraw/zinc/76/56/72/489765672.db2.gz USVSZDMDAZRDMV-HZMVEIRTSA-N 2 2 368.522 0.483 20 0 FCADLP [NH3+]C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000430723100 489766733 /nfs/dbraw/zinc/76/67/33/489766733.db2.gz IHNBNOIHBFWMBM-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000430734581 489767460 /nfs/dbraw/zinc/76/74/60/489767460.db2.gz WENMTFMHILVFKG-KRWDZBQOSA-N 2 2 355.442 0.868 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000418873192 489768410 /nfs/dbraw/zinc/76/84/10/489768410.db2.gz HVLKNHJKTRJGIQ-DOMZBBRYSA-N 2 2 352.866 0.879 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000418874986 489769963 /nfs/dbraw/zinc/76/99/63/489769963.db2.gz JSKUQUWIJZODDV-IUODEOHRSA-N 2 2 352.866 0.879 20 0 FCADLP CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474569908 489770120 /nfs/dbraw/zinc/77/01/20/489770120.db2.gz HNXGEEAILFSLKM-HZPDHXFCSA-N 2 2 364.494 0.909 20 0 FCADLP CCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474569908 489770125 /nfs/dbraw/zinc/77/01/25/489770125.db2.gz HNXGEEAILFSLKM-HZPDHXFCSA-N 2 2 364.494 0.909 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418886320 489775360 /nfs/dbraw/zinc/77/53/60/489775360.db2.gz KSJQEJIEWWPVGX-CQSZACIVSA-N 2 2 359.430 0.037 20 0 FCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430924244 489777225 /nfs/dbraw/zinc/77/72/25/489777225.db2.gz IMJPGCZPHXIGRK-MRXNPFEDSA-N 2 2 360.458 0.056 20 0 FCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430924244 489777229 /nfs/dbraw/zinc/77/72/29/489777229.db2.gz IMJPGCZPHXIGRK-MRXNPFEDSA-N 2 2 360.458 0.056 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418891499 489777722 /nfs/dbraw/zinc/77/77/22/489777722.db2.gz ULQCAFJEHSTWHB-HNNXBMFYSA-N 2 2 373.457 0.427 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430929179 489778528 /nfs/dbraw/zinc/77/85/28/489778528.db2.gz WSFQINFRYOWBKB-XJKCOSOUSA-N 2 2 368.503 0.050 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430929179 489778534 /nfs/dbraw/zinc/77/85/34/489778534.db2.gz WSFQINFRYOWBKB-XJKCOSOUSA-N 2 2 368.503 0.050 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418901888 489781766 /nfs/dbraw/zinc/78/17/66/489781766.db2.gz MDQOYKUSPJDGIH-QGZVFWFLSA-N 2 2 355.442 0.758 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000459888929 489782152 /nfs/dbraw/zinc/78/21/52/489782152.db2.gz UNWQZHHYQLDMMG-UHFFFAOYSA-N 2 2 370.497 0.680 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418901887 489782568 /nfs/dbraw/zinc/78/25/68/489782568.db2.gz MDQOYKUSPJDGIH-KRWDZBQOSA-N 2 2 355.442 0.758 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712728 489782547 /nfs/dbraw/zinc/78/25/47/489782547.db2.gz WQIOMOSJCBGGDZ-ZFWWWQNUSA-N 2 2 360.449 0.237 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712728 489782551 /nfs/dbraw/zinc/78/25/51/489782551.db2.gz WQIOMOSJCBGGDZ-ZFWWWQNUSA-N 2 2 360.449 0.237 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(OC)c1 ZINC000430970765 489783346 /nfs/dbraw/zinc/78/33/46/489783346.db2.gz IREYJFJANOUCGA-DOMZBBRYSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(OC)c1 ZINC000430970765 489783350 /nfs/dbraw/zinc/78/33/50/489783350.db2.gz IREYJFJANOUCGA-DOMZBBRYSA-N 2 2 351.447 0.998 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418908948 489786501 /nfs/dbraw/zinc/78/65/01/489786501.db2.gz IRJZYRVRSPXHSB-QZTJIDSGSA-N 2 2 374.485 0.521 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431073859 489788050 /nfs/dbraw/zinc/78/80/50/489788050.db2.gz NDXFMBGHCSCMGD-CYBMUJFWSA-N 2 2 364.494 0.828 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418915091 489788980 /nfs/dbraw/zinc/78/89/80/489788980.db2.gz UPAWOZNPLFRFPU-KNXALSJPSA-N 2 2 368.428 0.798 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418915091 489788984 /nfs/dbraw/zinc/78/89/84/489788984.db2.gz UPAWOZNPLFRFPU-KNXALSJPSA-N 2 2 368.428 0.798 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418917231 489791300 /nfs/dbraw/zinc/79/13/00/489791300.db2.gz SVVALOAOSXZXCR-OAHLLOKOSA-N 2 2 362.474 0.249 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418932837 489795301 /nfs/dbraw/zinc/79/53/01/489795301.db2.gz AOFYLFGOYOFPGO-UHFFFAOYSA-N 2 2 352.504 0.666 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418932837 489795311 /nfs/dbraw/zinc/79/53/11/489795311.db2.gz AOFYLFGOYOFPGO-UHFFFAOYSA-N 2 2 352.504 0.666 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000459924815 489795471 /nfs/dbraw/zinc/79/54/71/489795471.db2.gz WQOPGBIFIUTDEK-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000459924815 489795476 /nfs/dbraw/zinc/79/54/76/489795476.db2.gz WQOPGBIFIUTDEK-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418935787 489796609 /nfs/dbraw/zinc/79/66/09/489796609.db2.gz DBIGIPFVPPMIRQ-AWEZNQCLSA-N 2 2 364.515 0.810 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418935787 489796611 /nfs/dbraw/zinc/79/66/11/489796611.db2.gz DBIGIPFVPPMIRQ-AWEZNQCLSA-N 2 2 364.515 0.810 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]C1 ZINC000418943127 489798064 /nfs/dbraw/zinc/79/80/64/489798064.db2.gz MIWAATRBMIOIRK-KBPBESRZSA-N 2 2 364.515 0.727 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]C1 ZINC000418943127 489798069 /nfs/dbraw/zinc/79/80/69/489798069.db2.gz MIWAATRBMIOIRK-KBPBESRZSA-N 2 2 364.515 0.727 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418948413 489800324 /nfs/dbraw/zinc/80/03/24/489800324.db2.gz UCMHMBJONXXKHJ-ZIAGYGMSSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418948413 489800327 /nfs/dbraw/zinc/80/03/27/489800327.db2.gz UCMHMBJONXXKHJ-ZIAGYGMSSA-N 2 2 364.515 0.808 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459942690 489801285 /nfs/dbraw/zinc/80/12/85/489801285.db2.gz ZRGWZQVCTYUCLW-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459942690 489801289 /nfs/dbraw/zinc/80/12/89/489801289.db2.gz ZRGWZQVCTYUCLW-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000376830507 489802415 /nfs/dbraw/zinc/80/24/15/489802415.db2.gz NNGWSYNGDBUIJH-CABCVRRESA-N 2 2 350.467 0.772 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000459986220 489809678 /nfs/dbraw/zinc/80/96/78/489809678.db2.gz FSOYHWXTASJKHI-UHFFFAOYSA-N 2 2 359.474 0.732 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000459993235 489811272 /nfs/dbraw/zinc/81/12/72/489811272.db2.gz SAXCSGWWQQIZRW-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CO[C@@H]1CCN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)[C@@H](C[NH3+])C1 ZINC000419001219 489814580 /nfs/dbraw/zinc/81/45/80/489814580.db2.gz SEIDJEVQNAQUJW-HUUCEWRRSA-N 2 2 373.457 0.426 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000460001498 489815288 /nfs/dbraw/zinc/81/52/88/489815288.db2.gz YRNWHXBGIBFDDK-DOTOQJQBSA-N 2 2 360.458 0.862 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000460001498 489815292 /nfs/dbraw/zinc/81/52/92/489815292.db2.gz YRNWHXBGIBFDDK-DOTOQJQBSA-N 2 2 360.458 0.862 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419005808 489815394 /nfs/dbraw/zinc/81/53/94/489815394.db2.gz VUPWOLJOIZCMLO-AWEZNQCLSA-N 2 2 359.430 0.037 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000419032933 489826489 /nfs/dbraw/zinc/82/64/89/489826489.db2.gz BIQOTLGIGJKNFL-INIZCTEOSA-N 2 2 355.442 0.947 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@@H+]1CC(C)(C)O ZINC000376969470 489827579 /nfs/dbraw/zinc/82/75/79/489827579.db2.gz WAOOAOBNWNVDRC-RDJZCZTQSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@H+]1CC(C)(C)O ZINC000376969470 489827581 /nfs/dbraw/zinc/82/75/81/489827581.db2.gz WAOOAOBNWNVDRC-RDJZCZTQSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969470 489827586 /nfs/dbraw/zinc/82/75/86/489827586.db2.gz WAOOAOBNWNVDRC-RDJZCZTQSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969470 489827590 /nfs/dbraw/zinc/82/75/90/489827590.db2.gz WAOOAOBNWNVDRC-RDJZCZTQSA-N 2 2 353.507 0.791 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419042035 489831145 /nfs/dbraw/zinc/83/11/45/489831145.db2.gz OTEDZDPFNWJFBS-CVEARBPZSA-N 2 2 353.426 0.841 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)CCC2 ZINC000419043473 489832159 /nfs/dbraw/zinc/83/21/59/489832159.db2.gz REFKBVGHUYQXSJ-IHRRRGAJSA-N 2 2 363.462 0.414 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)CCC2 ZINC000419043474 489832461 /nfs/dbraw/zinc/83/24/61/489832461.db2.gz REFKBVGHUYQXSJ-MELADBBJSA-N 2 2 363.462 0.414 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000492662517 489833769 /nfs/dbraw/zinc/83/37/69/489833769.db2.gz XCPKRCSACPWYMQ-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419067468 489842755 /nfs/dbraw/zinc/84/27/55/489842755.db2.gz DOKHFXXABZBRNA-HOTGVXAUSA-N 2 2 373.432 0.975 20 0 FCADLP C[C@H]1OCC[C@@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C[C@@H](C)O2 ZINC000377049371 489843974 /nfs/dbraw/zinc/84/39/74/489843974.db2.gz XFRRDJAIGMIBGQ-GPMSIDNRSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H]1OCC[C@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C[C@@H](C)O2 ZINC000377049373 489844047 /nfs/dbraw/zinc/84/40/47/489844047.db2.gz XFRRDJAIGMIBGQ-MDZRGWNJSA-N 2 2 368.522 0.990 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(F)cc1 ZINC000419082430 489849503 /nfs/dbraw/zinc/84/95/03/489849503.db2.gz PRKJSVQSZFLEHY-KBMXLJTQSA-N 2 2 371.416 0.585 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000564002774 491283082 /nfs/dbraw/zinc/28/30/82/491283082.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000564002774 491283084 /nfs/dbraw/zinc/28/30/84/491283084.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000564002774 491283086 /nfs/dbraw/zinc/28/30/86/491283086.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000564002774 491283087 /nfs/dbraw/zinc/28/30/87/491283087.db2.gz AKUYVSZACRCUTG-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000460151117 489853045 /nfs/dbraw/zinc/85/30/45/489853045.db2.gz OSUOXTDXDYNJLZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000460151117 489853046 /nfs/dbraw/zinc/85/30/46/489853046.db2.gz OSUOXTDXDYNJLZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000460151117 489853047 /nfs/dbraw/zinc/85/30/47/489853047.db2.gz OSUOXTDXDYNJLZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000460151117 489853048 /nfs/dbraw/zinc/85/30/48/489853048.db2.gz OSUOXTDXDYNJLZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(CCCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)CC[NH+](C)C ZINC000460151117 489853049 /nfs/dbraw/zinc/85/30/49/489853049.db2.gz OSUOXTDXDYNJLZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(CCCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1)CC[NH+](C)C ZINC000460151117 489853051 /nfs/dbraw/zinc/85/30/51/489853051.db2.gz OSUOXTDXDYNJLZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000419110524 489859004 /nfs/dbraw/zinc/85/90/04/489859004.db2.gz BXOCBLRFDAZABE-HZPDHXFCSA-N 2 2 356.511 0.339 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493871693 489859479 /nfs/dbraw/zinc/85/94/79/489859479.db2.gz IQWCBAQAHFRLHU-IAGOWNOFSA-N 2 2 354.495 0.242 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493871693 489859482 /nfs/dbraw/zinc/85/94/82/489859482.db2.gz IQWCBAQAHFRLHU-IAGOWNOFSA-N 2 2 354.495 0.242 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000419111349 489859893 /nfs/dbraw/zinc/85/98/93/489859893.db2.gz IWSNIPYMQRPXHX-OAHLLOKOSA-N 2 2 357.458 0.887 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000419114029 489860766 /nfs/dbraw/zinc/86/07/66/489860766.db2.gz HLFZQBIENBQXPL-IRXDYDNUSA-N 2 2 368.522 0.483 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000419114561 489861918 /nfs/dbraw/zinc/86/19/18/489861918.db2.gz IFSYCWFICSZQJR-OAHLLOKOSA-N 2 2 359.474 0.885 20 0 FCADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165907 489862340 /nfs/dbraw/zinc/86/23/40/489862340.db2.gz SWWRCAXZXDLNBY-DLBZAZTESA-N 2 2 368.522 0.008 20 0 FCADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165907 489862346 /nfs/dbraw/zinc/86/23/46/489862346.db2.gz SWWRCAXZXDLNBY-DLBZAZTESA-N 2 2 368.522 0.008 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419118576 489863408 /nfs/dbraw/zinc/86/34/08/489863408.db2.gz ODJGWNRSOHPLQJ-HZPDHXFCSA-N 2 2 368.522 0.354 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]21 ZINC000419118510 489863573 /nfs/dbraw/zinc/86/35/73/489863573.db2.gz NXFOOAUIZCQKOU-BRWVUGGUSA-N 2 2 371.485 0.884 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000419119830 489864164 /nfs/dbraw/zinc/86/41/64/489864164.db2.gz PJWFZIIXBQPNRF-GOEBONIOSA-N 2 2 359.474 0.741 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419121059 489864927 /nfs/dbraw/zinc/86/49/27/489864927.db2.gz RMQQMTTWYGODFX-ZOBUZTSGSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419121057 489865107 /nfs/dbraw/zinc/86/51/07/489865107.db2.gz RMQQMTTWYGODFX-INMHGKMJSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122040 489866315 /nfs/dbraw/zinc/86/63/15/489866315.db2.gz SXRMVSUMSWKQAA-PMPSAXMXSA-N 2 2 354.495 0.045 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000419123358 489866848 /nfs/dbraw/zinc/86/68/48/489866848.db2.gz VSBNCEGPLPEESY-UXLLHSPISA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000419124613 489867960 /nfs/dbraw/zinc/86/79/60/489867960.db2.gz YAFSLAARQDOKCG-MRXNPFEDSA-N 2 2 366.506 0.062 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419125367 489868768 /nfs/dbraw/zinc/86/87/68/489868768.db2.gz ZQBOAZJMIJNUQT-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000420013715 489881284 /nfs/dbraw/zinc/88/12/84/489881284.db2.gz MGARWHASNRZYMN-HZPDHXFCSA-N 2 2 362.474 0.199 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000377313880 489883428 /nfs/dbraw/zinc/88/34/28/489883428.db2.gz AATXGABELNXJKD-SJLPKXTDSA-N 2 2 352.523 0.630 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420023093 489884031 /nfs/dbraw/zinc/88/40/31/489884031.db2.gz WXDVOHKIKBYIMQ-XHSDSOJGSA-N 2 2 361.490 0.835 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCO1 ZINC000433456883 489885819 /nfs/dbraw/zinc/88/58/19/489885819.db2.gz NYFHTGYIXUNVOW-HNNXBMFYSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCO1 ZINC000433456883 489885823 /nfs/dbraw/zinc/88/58/23/489885823.db2.gz NYFHTGYIXUNVOW-HNNXBMFYSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420028328 489886131 /nfs/dbraw/zinc/88/61/31/489886131.db2.gz MGARWHASNRZYMN-JKSUJKDBSA-N 2 2 362.474 0.199 20 0 FCADLP CSC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000476445582 489889409 /nfs/dbraw/zinc/88/94/09/489889409.db2.gz DYJCRQHGDKXXAC-UHFFFAOYSA-N 2 2 368.547 0.579 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420042283 489890703 /nfs/dbraw/zinc/89/07/03/489890703.db2.gz NFJUBBAYYHPOCC-UHFFFAOYSA-N 2 2 368.522 0.596 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000494433695 489891452 /nfs/dbraw/zinc/89/14/52/489891452.db2.gz DSDIPGGNKJHMDD-INIZCTEOSA-N 2 2 365.522 0.842 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000494433695 489891453 /nfs/dbraw/zinc/89/14/53/489891453.db2.gz DSDIPGGNKJHMDD-INIZCTEOSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420074812 489903275 /nfs/dbraw/zinc/90/32/75/489903275.db2.gz ZXIWBVDOAQQKBY-RYRKJORJSA-N 2 2 373.501 0.921 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000494698721 489906053 /nfs/dbraw/zinc/90/60/53/489906053.db2.gz KFFKDHXEAZBJGZ-BQFCYCMXSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000433987270 489908512 /nfs/dbraw/zinc/90/85/12/489908512.db2.gz CUDUZPBDCXFXON-IRXDYDNUSA-N 2 2 356.511 0.705 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)c1 ZINC000420088947 489908534 /nfs/dbraw/zinc/90/85/34/489908534.db2.gz IWYOBFARWKYHHI-HNNXBMFYSA-N 2 2 374.485 0.898 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420105942 489914018 /nfs/dbraw/zinc/91/40/18/489914018.db2.gz RAAYZWSSCVAQNG-SFHVURJKSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420105778 489914104 /nfs/dbraw/zinc/91/41/04/489914104.db2.gz SVDDQBPCKDEDLS-UHFFFAOYSA-N 2 2 365.437 0.650 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420110351 489915782 /nfs/dbraw/zinc/91/57/82/489915782.db2.gz FPVWIJWEOYAFID-KRWUTGMMSA-N 2 2 370.497 0.958 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000564072662 491286958 /nfs/dbraw/zinc/28/69/58/491286958.db2.gz GWPLSYPRBPNUGL-MRXNPFEDSA-N 2 2 364.494 0.067 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000564072662 491286961 /nfs/dbraw/zinc/28/69/61/491286961.db2.gz GWPLSYPRBPNUGL-MRXNPFEDSA-N 2 2 364.494 0.067 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000420128740 489922503 /nfs/dbraw/zinc/92/25/03/489922503.db2.gz QBTDBYFHVANPGY-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000420128740 489922506 /nfs/dbraw/zinc/92/25/06/489922506.db2.gz QBTDBYFHVANPGY-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000476939500 489926026 /nfs/dbraw/zinc/92/60/26/489926026.db2.gz LHCSCRQTPBGRKS-CYBMUJFWSA-N 2 2 360.462 0.751 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000476939500 489926028 /nfs/dbraw/zinc/92/60/28/489926028.db2.gz LHCSCRQTPBGRKS-CYBMUJFWSA-N 2 2 360.462 0.751 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000434414390 489926702 /nfs/dbraw/zinc/92/67/02/489926702.db2.gz XOBPGDZTJCJOTC-DLBZAZTESA-N 2 2 355.527 0.232 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCCO3)CC2)CC1 ZINC000477024177 489932507 /nfs/dbraw/zinc/93/25/07/489932507.db2.gz AGWFMUNZWJWLDV-KRWDZBQOSA-N 2 2 366.506 0.347 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315054 489935193 /nfs/dbraw/zinc/93/51/93/489935193.db2.gz SPXJETVUFKZGMF-NVXWUHKLSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315054 489935195 /nfs/dbraw/zinc/93/51/95/489935195.db2.gz SPXJETVUFKZGMF-NVXWUHKLSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000495315054 489935199 /nfs/dbraw/zinc/93/51/99/489935199.db2.gz SPXJETVUFKZGMF-NVXWUHKLSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000495315054 489935203 /nfs/dbraw/zinc/93/52/03/489935203.db2.gz SPXJETVUFKZGMF-NVXWUHKLSA-N 2 2 366.506 0.333 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)cc[nH+]1 ZINC000420165586 489937524 /nfs/dbraw/zinc/93/75/24/489937524.db2.gz HRAWRUDWSUPOBL-OAHLLOKOSA-N 2 2 374.489 0.328 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000420168043 489938006 /nfs/dbraw/zinc/93/80/06/489938006.db2.gz PWVNBMICAPODLC-JKSUJKDBSA-N 2 2 360.458 0.956 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000420170468 489939018 /nfs/dbraw/zinc/93/90/18/489939018.db2.gz NLHHIQGUFWDILL-UHFFFAOYSA-N 2 2 357.405 0.612 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCCO1 ZINC000477080042 489939673 /nfs/dbraw/zinc/93/96/73/489939673.db2.gz GGPUZLOUAFVEFX-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCCO1 ZINC000477080042 489939677 /nfs/dbraw/zinc/93/96/77/489939677.db2.gz GGPUZLOUAFVEFX-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000461868146 489942186 /nfs/dbraw/zinc/94/21/86/489942186.db2.gz ZTZXDZRSKBOMIL-GOEBONIOSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000477100848 489942385 /nfs/dbraw/zinc/94/23/85/489942385.db2.gz PCOYDVGPHNWHKI-HNNXBMFYSA-N 2 2 356.511 0.402 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000477100848 489942389 /nfs/dbraw/zinc/94/23/89/489942389.db2.gz PCOYDVGPHNWHKI-HNNXBMFYSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420180627 489943719 /nfs/dbraw/zinc/94/37/19/489943719.db2.gz XDOPZHIUIZTUHS-CYBMUJFWSA-N 2 2 354.401 0.430 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420180627 489943722 /nfs/dbraw/zinc/94/37/22/489943722.db2.gz XDOPZHIUIZTUHS-CYBMUJFWSA-N 2 2 354.401 0.430 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420201303 489950433 /nfs/dbraw/zinc/95/04/33/489950433.db2.gz YDISOJVUWYOZSL-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462012325 489950581 /nfs/dbraw/zinc/95/05/81/489950581.db2.gz UDFUPCUNMPGBJM-UHFFFAOYSA-N 2 2 360.502 0.989 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000420209988 489952951 /nfs/dbraw/zinc/95/29/51/489952951.db2.gz RVAFVVKDXPZBHZ-IRXDYDNUSA-N 2 2 374.485 0.453 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758148 489953261 /nfs/dbraw/zinc/95/32/61/489953261.db2.gz DKDXBEHZRQXAHH-ROUUACIJSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758148 489953263 /nfs/dbraw/zinc/95/32/63/489953263.db2.gz DKDXBEHZRQXAHH-ROUUACIJSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758148 489953266 /nfs/dbraw/zinc/95/32/66/489953266.db2.gz DKDXBEHZRQXAHH-ROUUACIJSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758148 489953268 /nfs/dbraw/zinc/95/32/68/489953268.db2.gz DKDXBEHZRQXAHH-ROUUACIJSA-N 2 2 356.470 0.399 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000571179793 491290792 /nfs/dbraw/zinc/29/07/92/491290792.db2.gz BFHSBQOAUVJZML-HUUCEWRRSA-N 2 2 350.467 0.854 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420215023 489954777 /nfs/dbraw/zinc/95/47/77/489954777.db2.gz VXOIGQIKLHEJNC-ZIAGYGMSSA-N 2 2 350.488 0.636 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420217317 489955524 /nfs/dbraw/zinc/95/55/24/489955524.db2.gz XNAMFIDLZBSFAT-BPQIPLTHSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420217317 489955528 /nfs/dbraw/zinc/95/55/28/489955528.db2.gz XNAMFIDLZBSFAT-BPQIPLTHSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000571185304 491291192 /nfs/dbraw/zinc/29/11/92/491291192.db2.gz ZUFCICYWVALTGW-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CCC[C@@H]([NH3+])C3)nc2)CC1 ZINC000420291702 489960195 /nfs/dbraw/zinc/96/01/95/489960195.db2.gz VYRBEPUHSCEITD-HUUCEWRRSA-N 2 2 367.519 0.947 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCC[C@H]([NH3+])C3)nc2)CC1 ZINC000420291700 489960345 /nfs/dbraw/zinc/96/03/45/489960345.db2.gz VYRBEPUHSCEITD-GJZGRUSLSA-N 2 2 367.519 0.947 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000377843274 489967107 /nfs/dbraw/zinc/96/71/07/489967107.db2.gz HLUOTGUYWGSXAL-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000420367506 489968134 /nfs/dbraw/zinc/96/81/34/489968134.db2.gz SPVQWTUGEZELFM-AWEZNQCLSA-N 2 2 354.401 0.997 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)S(C)(=O)=O ZINC000420373040 489968471 /nfs/dbraw/zinc/96/84/71/489968471.db2.gz YWPFHQVWQFMIAR-ZDUSSCGKSA-N 2 2 350.529 0.126 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420367769 489968766 /nfs/dbraw/zinc/96/87/66/489968766.db2.gz WBZOBHXJSJXRFZ-HNNXBMFYSA-N 2 2 354.476 0.770 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420376657 489969764 /nfs/dbraw/zinc/96/97/64/489969764.db2.gz VIXKKXIIEBSKGH-WBTNSWJXSA-N 2 2 362.474 0.929 20 0 FCADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420391585 489970663 /nfs/dbraw/zinc/97/06/63/489970663.db2.gz ONMZWTAIJQIPID-KRWDZBQOSA-N 2 2 351.447 0.630 20 0 FCADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420391585 489970665 /nfs/dbraw/zinc/97/06/65/489970665.db2.gz ONMZWTAIJQIPID-KRWDZBQOSA-N 2 2 351.447 0.630 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391547 489970843 /nfs/dbraw/zinc/97/08/43/489970843.db2.gz OMFSUQAFHIYGJO-IAGOWNOFSA-N 2 2 351.422 0.775 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391547 489970848 /nfs/dbraw/zinc/97/08/48/489970848.db2.gz OMFSUQAFHIYGJO-IAGOWNOFSA-N 2 2 351.422 0.775 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420396329 489971242 /nfs/dbraw/zinc/97/12/42/489971242.db2.gz VSGROFUZQAFQER-HZPDHXFCSA-N 2 2 362.474 0.479 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420396329 489971244 /nfs/dbraw/zinc/97/12/44/489971244.db2.gz VSGROFUZQAFQER-HZPDHXFCSA-N 2 2 362.474 0.479 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420405004 489972873 /nfs/dbraw/zinc/97/28/73/489972873.db2.gz MPTOVKJEBNQYQU-ZIAGYGMSSA-N 2 2 350.438 0.951 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420405004 489972875 /nfs/dbraw/zinc/97/28/75/489972875.db2.gz MPTOVKJEBNQYQU-ZIAGYGMSSA-N 2 2 350.438 0.951 20 0 FCADLP C[NH+]1CCN(C(=O)C[C@@H](CC(C)(C)C)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000571209739 491292851 /nfs/dbraw/zinc/29/28/51/491292851.db2.gz JZDVONXJVFNWDJ-INIZCTEOSA-N 2 2 352.523 0.977 20 0 FCADLP CC(C)c1cc(NCCCCN2CC[NH+](CCO)CC2)nc(N(C)C)[nH+]1 ZINC000462841353 489993543 /nfs/dbraw/zinc/99/35/43/489993543.db2.gz ZJPDIGBGCLONJP-UHFFFAOYSA-N 2 2 364.538 1.468 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000477958992 489998592 /nfs/dbraw/zinc/99/85/92/489998592.db2.gz GYNWGCWIFWISKI-VQIMIIECSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371766 490000106 /nfs/dbraw/zinc/00/01/06/490000106.db2.gz OMGFEEQTXABUHU-CABCVRRESA-N 2 2 353.488 0.877 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371766 490000109 /nfs/dbraw/zinc/00/01/09/490000109.db2.gz OMGFEEQTXABUHU-CABCVRRESA-N 2 2 353.488 0.877 20 0 FCADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435389391 490000641 /nfs/dbraw/zinc/00/06/41/490000641.db2.gz LWZPKMONULTFGN-OAHLLOKOSA-N 2 2 353.488 0.878 20 0 FCADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435389391 490000645 /nfs/dbraw/zinc/00/06/45/490000645.db2.gz LWZPKMONULTFGN-OAHLLOKOSA-N 2 2 353.488 0.878 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435380003 490000658 /nfs/dbraw/zinc/00/06/58/490000658.db2.gz OYUVJPFRMWFFTQ-MRXNPFEDSA-N 2 2 363.458 0.856 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000435380003 490000663 /nfs/dbraw/zinc/00/06/63/490000663.db2.gz OYUVJPFRMWFFTQ-MRXNPFEDSA-N 2 2 363.458 0.856 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCc3ccccn3)CC2)CC1 ZINC000420599921 490000717 /nfs/dbraw/zinc/00/07/17/490000717.db2.gz FFHPTFSPYPUDHF-UHFFFAOYSA-N 2 2 373.501 0.716 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCc3ccccn3)CC2)CC1 ZINC000420599921 490000720 /nfs/dbraw/zinc/00/07/20/490000720.db2.gz FFHPTFSPYPUDHF-UHFFFAOYSA-N 2 2 373.501 0.716 20 0 FCADLP CCOCCCNC(=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420661391 490005132 /nfs/dbraw/zinc/00/51/32/490005132.db2.gz ZYQCHNJVGGZUIM-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP CCOCCCNC(=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420661391 490005136 /nfs/dbraw/zinc/00/51/36/490005136.db2.gz ZYQCHNJVGGZUIM-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c[nH+]1 ZINC000556088669 491293643 /nfs/dbraw/zinc/29/36/43/491293643.db2.gz QXFHQIZKELJXDB-KRWDZBQOSA-N 2 2 373.501 0.954 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c[nH+]1 ZINC000556088669 491293645 /nfs/dbraw/zinc/29/36/45/491293645.db2.gz QXFHQIZKELJXDB-KRWDZBQOSA-N 2 2 373.501 0.954 20 0 FCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000556087562 491293836 /nfs/dbraw/zinc/29/38/36/491293836.db2.gz VHJOYKOSZDRVTN-UHFFFAOYSA-N 2 2 370.497 0.715 20 0 FCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000556087562 491293838 /nfs/dbraw/zinc/29/38/38/491293838.db2.gz VHJOYKOSZDRVTN-UHFFFAOYSA-N 2 2 370.497 0.715 20 0 FCADLP CCn1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000437450544 490023285 /nfs/dbraw/zinc/02/32/85/490023285.db2.gz IGNQESCEHFYYDG-UHFFFAOYSA-N 2 2 350.467 0.326 20 0 FCADLP CCn1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000437450544 490023287 /nfs/dbraw/zinc/02/32/87/490023287.db2.gz IGNQESCEHFYYDG-UHFFFAOYSA-N 2 2 350.467 0.326 20 0 FCADLP CC(C)(C(N)=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420903001 490030940 /nfs/dbraw/zinc/03/09/40/490030940.db2.gz AMRJUQBLOHLJHL-UHFFFAOYSA-N 2 2 360.502 0.900 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660180333 493333137 /nfs/dbraw/zinc/33/31/37/493333137.db2.gz RSGLOZYIEIECIN-KRWDZBQOSA-N 2 2 359.536 0.750 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660180333 493333139 /nfs/dbraw/zinc/33/31/39/493333139.db2.gz RSGLOZYIEIECIN-KRWDZBQOSA-N 2 2 359.536 0.750 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421208368 490056802 /nfs/dbraw/zinc/05/68/02/490056802.db2.gz XRFZEISWUPGHII-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421208368 490056804 /nfs/dbraw/zinc/05/68/04/490056804.db2.gz XRFZEISWUPGHII-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479210080 490074283 /nfs/dbraw/zinc/07/42/83/490074283.db2.gz YNOOUXNNTHKZDE-QGZVFWFLSA-N 2 2 364.465 0.881 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000491054154 490075594 /nfs/dbraw/zinc/07/55/94/490075594.db2.gz QBAZBFLKUNTMFH-INIZCTEOSA-N 2 2 355.552 0.457 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000444179664 490079833 /nfs/dbraw/zinc/07/98/33/490079833.db2.gz DGMJFNUIXLMHDC-RDTXWAMCSA-N 2 2 365.478 0.686 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519794933 490085821 /nfs/dbraw/zinc/08/58/21/490085821.db2.gz XBSJEBRKHFJXQR-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519794933 490085827 /nfs/dbraw/zinc/08/58/27/490085827.db2.gz XBSJEBRKHFJXQR-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CCC([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000545197818 490096741 /nfs/dbraw/zinc/09/67/41/490096741.db2.gz GQWXXUMEVKZAAO-INIZCTEOSA-N 2 2 363.524 0.175 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000479618475 490108820 /nfs/dbraw/zinc/10/88/20/490108820.db2.gz LYQGMACMLIHHAX-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000479618475 490108824 /nfs/dbraw/zinc/10/88/24/490108824.db2.gz LYQGMACMLIHHAX-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382772479 490127913 /nfs/dbraw/zinc/12/79/13/490127913.db2.gz DXEATBCMWDTRDY-WBVHZDCISA-N 2 2 353.488 0.511 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382772479 490127922 /nfs/dbraw/zinc/12/79/22/490127922.db2.gz DXEATBCMWDTRDY-WBVHZDCISA-N 2 2 353.488 0.511 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCS(C)(=O)=O ZINC000465918295 490153948 /nfs/dbraw/zinc/15/39/48/490153948.db2.gz MACRDXKWJGRANG-OAHLLOKOSA-N 2 2 362.540 0.479 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCS(C)(=O)=O ZINC000465918295 490153952 /nfs/dbraw/zinc/15/39/52/490153952.db2.gz MACRDXKWJGRANG-OAHLLOKOSA-N 2 2 362.540 0.479 20 0 FCADLP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864058 490158611 /nfs/dbraw/zinc/15/86/11/490158611.db2.gz NWWKYDCRDZGAAR-DNVCBOLYSA-N 2 2 364.465 0.519 20 0 FCADLP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864058 490158614 /nfs/dbraw/zinc/15/86/14/490158614.db2.gz NWWKYDCRDZGAAR-DNVCBOLYSA-N 2 2 364.465 0.519 20 0 FCADLP CC[C@@H]1C[N@H+](CCN2CCOCC2)[C@H](CC)CN1CC[NH+]1CCOCC1 ZINC000533073617 490166876 /nfs/dbraw/zinc/16/68/76/490166876.db2.gz HYLJKPSFKPHSSD-WOJBJXKFSA-N 2 2 368.566 0.826 20 0 FCADLP CC[C@@H]1C[N@@H+](CCN2CCOCC2)[C@H](CC)CN1CC[NH+]1CCOCC1 ZINC000533073617 490166881 /nfs/dbraw/zinc/16/68/81/490166881.db2.gz HYLJKPSFKPHSSD-WOJBJXKFSA-N 2 2 368.566 0.826 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N3CCSCC3)CC2)CC1 ZINC000422115187 490167166 /nfs/dbraw/zinc/16/71/66/490167166.db2.gz MNEWTQUTZDGQJN-UHFFFAOYSA-N 2 2 368.547 0.580 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N3CCSCC3)CC2)CC1 ZINC000422115187 490167173 /nfs/dbraw/zinc/16/71/73/490167173.db2.gz MNEWTQUTZDGQJN-UHFFFAOYSA-N 2 2 368.547 0.580 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497510548 490169669 /nfs/dbraw/zinc/16/96/69/490169669.db2.gz ZJMLZZNGFQAGRD-YDHLFZDLSA-N 2 2 356.829 0.933 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497510548 490169677 /nfs/dbraw/zinc/16/96/77/490169677.db2.gz ZJMLZZNGFQAGRD-YDHLFZDLSA-N 2 2 356.829 0.933 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCOCC2)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC000533085911 490171827 /nfs/dbraw/zinc/17/18/27/490171827.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC000533085911 490171836 /nfs/dbraw/zinc/17/18/36/490171836.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1CCCN1CCOCC1 ZINC000533085911 490171844 /nfs/dbraw/zinc/17/18/44/490171844.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[N@H+]1CCCN1CCOCC1 ZINC000533085911 490171851 /nfs/dbraw/zinc/17/18/51/490171851.db2.gz OENIMDYVMFSUDR-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000571405053 491305415 /nfs/dbraw/zinc/30/54/15/491305415.db2.gz KEROLTWQQNYPCK-ZBFHGGJFSA-N 2 2 365.499 0.846 20 0 FCADLP CCN(CCOCCO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000507250590 490192474 /nfs/dbraw/zinc/19/24/74/490192474.db2.gz FVKORKNNIGQXFO-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCOCCOC)CC2)CC1 ZINC000422178619 490197401 /nfs/dbraw/zinc/19/74/01/490197401.db2.gz SFIOPNYBBILCKL-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCOCCOC)CC2)CC1 ZINC000422178619 490197411 /nfs/dbraw/zinc/19/74/11/490197411.db2.gz SFIOPNYBBILCKL-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000571420535 491307039 /nfs/dbraw/zinc/30/70/39/491307039.db2.gz LARISEWFVNSZNW-BZUAXINKSA-N 2 2 351.495 0.452 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000556274102 491307716 /nfs/dbraw/zinc/30/77/16/491307716.db2.gz USQQFOHDEPDKFW-UHFFFAOYSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769767 490210764 /nfs/dbraw/zinc/21/07/64/490210764.db2.gz ZAEBETLELKPYNT-NVXWUHKLSA-N 2 2 363.506 0.419 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000466769767 490210770 /nfs/dbraw/zinc/21/07/70/490210770.db2.gz ZAEBETLELKPYNT-NVXWUHKLSA-N 2 2 363.506 0.419 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000556311668 491308824 /nfs/dbraw/zinc/30/88/24/491308824.db2.gz LMQHBVONUYADJE-HZPDHXFCSA-N 2 2 365.478 0.347 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000466934806 490227218 /nfs/dbraw/zinc/22/72/18/490227218.db2.gz ZDFZVBUGTRMNNT-WMZOPIPTSA-N 2 2 373.501 0.895 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000466934806 490227228 /nfs/dbraw/zinc/22/72/28/490227228.db2.gz ZDFZVBUGTRMNNT-WMZOPIPTSA-N 2 2 373.501 0.895 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000564474590 491309355 /nfs/dbraw/zinc/30/93/55/491309355.db2.gz RPAMDBGESGFEKX-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000521174262 490232294 /nfs/dbraw/zinc/23/22/94/490232294.db2.gz ZJQZTANWWXLHCP-SFHVURJKSA-N 2 2 356.474 0.976 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000521174262 490232296 /nfs/dbraw/zinc/23/22/96/490232296.db2.gz ZJQZTANWWXLHCP-SFHVURJKSA-N 2 2 356.474 0.976 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000533446083 490235460 /nfs/dbraw/zinc/23/54/60/490235460.db2.gz ZIBCZMNXUIOAMM-QGZVFWFLSA-N 2 2 365.522 0.855 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000533446083 490235463 /nfs/dbraw/zinc/23/54/63/490235463.db2.gz ZIBCZMNXUIOAMM-QGZVFWFLSA-N 2 2 365.522 0.855 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000447449110 490235805 /nfs/dbraw/zinc/23/58/05/490235805.db2.gz NSEMUDQQABPAGV-AWEZNQCLSA-N 2 2 361.446 0.740 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000447435936 490236052 /nfs/dbraw/zinc/23/60/52/490236052.db2.gz SDRIFDXYHALLLU-INIZCTEOSA-N 2 2 354.495 0.191 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000521267794 490244373 /nfs/dbraw/zinc/24/43/73/490244373.db2.gz ZORVAIFUJIGNHQ-SKDZVZGDSA-N 2 2 371.428 0.765 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000521267794 490244383 /nfs/dbraw/zinc/24/43/83/490244383.db2.gz ZORVAIFUJIGNHQ-SKDZVZGDSA-N 2 2 371.428 0.765 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000498040138 490249537 /nfs/dbraw/zinc/24/95/37/490249537.db2.gz UZXLNBFCLOIMIJ-OAHLLOKOSA-N 3 2 353.417 0.707 20 0 FCADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])CC(N)=O)CC2)cs1 ZINC000498058886 490251974 /nfs/dbraw/zinc/25/19/74/490251974.db2.gz YFDMNYZNDPAATP-ZDUSSCGKSA-N 2 2 353.492 0.236 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000498197167 490269053 /nfs/dbraw/zinc/26/90/53/490269053.db2.gz XHTOBMNVMJOVIY-AWEZNQCLSA-N 2 2 372.391 0.682 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000521493038 490269622 /nfs/dbraw/zinc/26/96/22/490269622.db2.gz OFEOVFPJOYQTQZ-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000521493038 490269629 /nfs/dbraw/zinc/26/96/29/490269629.db2.gz OFEOVFPJOYQTQZ-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000498206370 490271604 /nfs/dbraw/zinc/27/16/04/490271604.db2.gz DGLIJBFBLNYEQE-CQSZACIVSA-N 2 2 357.401 0.996 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357041 490275308 /nfs/dbraw/zinc/27/53/08/490275308.db2.gz AGFJZEABYBWTDT-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422357041 490275315 /nfs/dbraw/zinc/27/53/15/490275315.db2.gz AGFJZEABYBWTDT-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP CC1(C)C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000447800522 490278993 /nfs/dbraw/zinc/27/89/93/490278993.db2.gz UGAAJSKJIZVUKZ-GOSISDBHSA-N 2 2 361.486 0.838 20 0 FCADLP CC1(C)C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000447800522 490279004 /nfs/dbraw/zinc/27/90/04/490279004.db2.gz UGAAJSKJIZVUKZ-GOSISDBHSA-N 2 2 361.486 0.838 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000521649402 490286308 /nfs/dbraw/zinc/28/63/08/490286308.db2.gz IAJATQUIMIVRSU-KRWDZBQOSA-N 2 2 368.522 0.452 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cncc(N3CCOCC3)c2)CC1 ZINC000533843292 490291798 /nfs/dbraw/zinc/29/17/98/490291798.db2.gz HBOGNLBATLAJRZ-UHFFFAOYSA-N 2 2 361.490 0.674 20 0 FCADLP C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000483273516 490300081 /nfs/dbraw/zinc/30/00/81/490300081.db2.gz ULTYITMZKJCEQD-KRWDZBQOSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000483273516 490300083 /nfs/dbraw/zinc/30/00/83/490300083.db2.gz ULTYITMZKJCEQD-KRWDZBQOSA-N 2 2 350.488 0.590 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841129 490301632 /nfs/dbraw/zinc/30/16/32/490301632.db2.gz WPYIHTBOAIQOCX-QZTJIDSGSA-N 2 2 362.474 0.647 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841129 490301635 /nfs/dbraw/zinc/30/16/35/490301635.db2.gz WPYIHTBOAIQOCX-QZTJIDSGSA-N 2 2 362.474 0.647 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571557758 491315743 /nfs/dbraw/zinc/31/57/43/491315743.db2.gz GEUYKPPMMNYGET-CVEARBPZSA-N 2 2 353.511 0.555 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571557758 491315745 /nfs/dbraw/zinc/31/57/45/491315745.db2.gz GEUYKPPMMNYGET-CVEARBPZSA-N 2 2 353.511 0.555 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571580307 491316758 /nfs/dbraw/zinc/31/67/58/491316758.db2.gz PKNRDZJXNONKOK-OAHLLOKOSA-N 2 2 361.490 0.895 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000564629192 491317138 /nfs/dbraw/zinc/31/71/38/491317138.db2.gz VJWWJVGBIBNSKH-MRXNPFEDSA-N 2 2 373.494 0.881 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000564629192 491317140 /nfs/dbraw/zinc/31/71/40/491317140.db2.gz VJWWJVGBIBNSKH-MRXNPFEDSA-N 2 2 373.494 0.881 20 0 FCADLP CNC(=O)C(C)(C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000448208275 490319748 /nfs/dbraw/zinc/31/97/48/490319748.db2.gz GKYNLCWQSZZYOP-UHFFFAOYSA-N 2 2 353.511 0.616 20 0 FCADLP COCCO[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000534128531 490324237 /nfs/dbraw/zinc/32/42/37/490324237.db2.gz HQPFLVVAUKDVAI-INIZCTEOSA-N 2 2 357.495 0.341 20 0 FCADLP COCCO[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000534128531 490324243 /nfs/dbraw/zinc/32/42/43/490324243.db2.gz HQPFLVVAUKDVAI-INIZCTEOSA-N 2 2 357.495 0.341 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000571591694 491317814 /nfs/dbraw/zinc/31/78/14/491317814.db2.gz MFOGOKDQDRPESR-QGZVFWFLSA-N 2 2 367.538 0.070 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000571591694 491317816 /nfs/dbraw/zinc/31/78/16/491317816.db2.gz MFOGOKDQDRPESR-QGZVFWFLSA-N 2 2 367.538 0.070 20 0 FCADLP C[NH+](C)CCCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000467648429 490327224 /nfs/dbraw/zinc/32/72/24/490327224.db2.gz WTWJZZJSAGPLCS-HNNXBMFYSA-N 2 2 364.471 0.915 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000422453851 490329672 /nfs/dbraw/zinc/32/96/72/490329672.db2.gz KKLKDGPTSIDILE-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000422453851 490329677 /nfs/dbraw/zinc/32/96/77/490329677.db2.gz KKLKDGPTSIDILE-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000422453851 490329684 /nfs/dbraw/zinc/32/96/84/490329684.db2.gz KKLKDGPTSIDILE-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000422453851 490329686 /nfs/dbraw/zinc/32/96/86/490329686.db2.gz KKLKDGPTSIDILE-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498852501 490353171 /nfs/dbraw/zinc/35/31/71/490353171.db2.gz HUBYQGPFCHVJBN-CALCHBBNSA-N 2 2 366.506 0.322 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498852501 490353175 /nfs/dbraw/zinc/35/31/75/490353175.db2.gz HUBYQGPFCHVJBN-CALCHBBNSA-N 2 2 366.506 0.322 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498852501 490353185 /nfs/dbraw/zinc/35/31/85/490353185.db2.gz HUBYQGPFCHVJBN-CALCHBBNSA-N 2 2 366.506 0.322 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000498852501 490353189 /nfs/dbraw/zinc/35/31/89/490353189.db2.gz HUBYQGPFCHVJBN-CALCHBBNSA-N 2 2 366.506 0.322 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000522220047 490356569 /nfs/dbraw/zinc/35/65/69/490356569.db2.gz BLRDUIRFEDMSTK-MRXNPFEDSA-N 2 2 364.494 0.594 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422491049 490357130 /nfs/dbraw/zinc/35/71/30/490357130.db2.gz NJUDNWSTLUENLX-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422491049 490357133 /nfs/dbraw/zinc/35/71/33/490357133.db2.gz NJUDNWSTLUENLX-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000422501946 490364335 /nfs/dbraw/zinc/36/43/35/490364335.db2.gz IHTUWTAJJLZUIS-CVEARBPZSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000422501946 490364343 /nfs/dbraw/zinc/36/43/43/490364343.db2.gz IHTUWTAJJLZUIS-CVEARBPZSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000411044570 490384581 /nfs/dbraw/zinc/38/45/81/490384581.db2.gz QVVUCBOCXCILCY-UHFFFAOYSA-N 2 2 352.504 0.802 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)[N@H+]1C ZINC000556600292 491322403 /nfs/dbraw/zinc/32/24/03/491322403.db2.gz CNGPLHMRHYYVPP-GASCZTMLSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H](C)[N@@H+]1C ZINC000556600292 491322404 /nfs/dbraw/zinc/32/24/04/491322404.db2.gz CNGPLHMRHYYVPP-GASCZTMLSA-N 2 2 350.467 0.772 20 0 FCADLP Cc1nnc2n1C[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000534718148 490401553 /nfs/dbraw/zinc/40/15/53/490401553.db2.gz QWSQJHJCOWVZNC-OAHLLOKOSA-N 2 2 363.510 0.474 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000484236433 490402200 /nfs/dbraw/zinc/40/22/00/490402200.db2.gz UXILWOLIDMUGOT-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000484236433 490402208 /nfs/dbraw/zinc/40/22/08/490402208.db2.gz UXILWOLIDMUGOT-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP COC(=O)[C@H]1C[N@H+](CC[C@H](C)CC[NH+]2CCO[C@H](C(=O)OC)C2)CCO1 ZINC000411221027 490407497 /nfs/dbraw/zinc/40/74/97/490407497.db2.gz HAWUZFOMYLRPTB-MUJYYYPQSA-N 2 2 372.462 0.150 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](CC[C@H](C)CC[NH+]2CCO[C@H](C(=O)OC)C2)CCO1 ZINC000411221027 490407507 /nfs/dbraw/zinc/40/75/07/490407507.db2.gz HAWUZFOMYLRPTB-MUJYYYPQSA-N 2 2 372.462 0.150 20 0 FCADLP COC(=O)[C@H]1C[NH+](CC[C@H](C)CC[N@@H+]2CCO[C@H](C(=O)OC)C2)CCO1 ZINC000411221027 490407513 /nfs/dbraw/zinc/40/75/13/490407513.db2.gz HAWUZFOMYLRPTB-MUJYYYPQSA-N 2 2 372.462 0.150 20 0 FCADLP COC(=O)[C@H]1C[NH+](CC[C@H](C)CC[N@H+]2CCO[C@H](C(=O)OC)C2)CCO1 ZINC000411221027 490407520 /nfs/dbraw/zinc/40/75/20/490407520.db2.gz HAWUZFOMYLRPTB-MUJYYYPQSA-N 2 2 372.462 0.150 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000449347116 490411378 /nfs/dbraw/zinc/41/13/78/490411378.db2.gz FIYWKWYCRDZKGL-GDBMZVCRSA-N 2 2 362.449 0.555 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc(C)[nH+]1 ZINC000422595007 490420190 /nfs/dbraw/zinc/42/01/90/490420190.db2.gz XUIVNDBONGZISB-KRWDZBQOSA-N 2 2 374.485 0.885 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640519 490439593 /nfs/dbraw/zinc/43/95/93/490439593.db2.gz VRGCNTKDMVSWCG-AVGNSLFASA-N 2 2 351.451 0.841 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640519 490439595 /nfs/dbraw/zinc/43/95/95/490439595.db2.gz VRGCNTKDMVSWCG-AVGNSLFASA-N 2 2 351.451 0.841 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1(O)CCOCC1 ZINC000509621916 490444199 /nfs/dbraw/zinc/44/41/99/490444199.db2.gz RUWZQYYUQPKMIV-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1(O)CCOCC1 ZINC000509621916 490444201 /nfs/dbraw/zinc/44/42/01/490444201.db2.gz RUWZQYYUQPKMIV-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484628577 490449757 /nfs/dbraw/zinc/44/97/57/490449757.db2.gz MWUAFXNGUDVGER-IAGOWNOFSA-N 2 2 362.474 0.904 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@]34CCC(=O)N3CCS4)CC2)CC1 ZINC000523305443 490455027 /nfs/dbraw/zinc/45/50/27/490455027.db2.gz OGMZNQZGZCLMJX-SFHVURJKSA-N 2 2 366.531 0.727 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC3CC(F)(F)C3)CC2)CC1 ZINC000450253099 490455282 /nfs/dbraw/zinc/45/52/82/490455282.db2.gz MIZJOHBOMITDLU-UHFFFAOYSA-N 2 2 352.451 0.142 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000523305535 490455594 /nfs/dbraw/zinc/45/55/94/490455594.db2.gz AQXZEDRHSBZUPH-INIZCTEOSA-N 2 2 353.492 0.699 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548279290 490456328 /nfs/dbraw/zinc/45/63/28/490456328.db2.gz XALIPUBOPWKTTO-MRXNPFEDSA-N 2 2 369.473 0.844 20 0 FCADLP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000484748736 490462423 /nfs/dbraw/zinc/46/24/23/490462423.db2.gz FNWWMFCXYBRFBT-LJQANCHMSA-N 2 2 371.522 0.465 20 0 FCADLP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000484748736 490462432 /nfs/dbraw/zinc/46/24/32/490462432.db2.gz FNWWMFCXYBRFBT-LJQANCHMSA-N 2 2 371.522 0.465 20 0 FCADLP C[C@@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422709325 490462670 /nfs/dbraw/zinc/46/26/70/490462670.db2.gz KIRYKPCMIHCQRL-HNNXBMFYSA-N 3 2 355.508 0.250 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422758979 490473243 /nfs/dbraw/zinc/47/32/43/490473243.db2.gz FGDAVYCOTNLNSE-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906163 490476994 /nfs/dbraw/zinc/47/69/94/490476994.db2.gz MTGROGNVMYUOPB-QWHCGFSZSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484906163 490477000 /nfs/dbraw/zinc/47/70/00/490477000.db2.gz MTGROGNVMYUOPB-QWHCGFSZSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944253 490480650 /nfs/dbraw/zinc/48/06/50/490480650.db2.gz HCIZRWAKDYWSQH-DLBZAZTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944253 490480657 /nfs/dbraw/zinc/48/06/57/490480657.db2.gz HCIZRWAKDYWSQH-DLBZAZTESA-N 3 2 352.523 0.807 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C[C@H](C)O ZINC000510129434 490493673 /nfs/dbraw/zinc/49/36/73/490493673.db2.gz VTFPOPPCOSIWRW-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C[C@H](C)O ZINC000510129434 490493674 /nfs/dbraw/zinc/49/36/74/490493674.db2.gz VTFPOPPCOSIWRW-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422915080 490497482 /nfs/dbraw/zinc/49/74/82/490497482.db2.gz XAGUEVWWJSPVJC-UHOSZYNNSA-N 2 2 360.502 0.468 20 0 FCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422915080 490497486 /nfs/dbraw/zinc/49/74/86/490497486.db2.gz XAGUEVWWJSPVJC-UHOSZYNNSA-N 3 2 360.502 0.468 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc[nH+]1 ZINC000413072226 490498032 /nfs/dbraw/zinc/49/80/32/490498032.db2.gz MQIRDQLHRPULHX-XJKSGUPXSA-N 2 2 353.492 0.889 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@H+](C)C1 ZINC000413116563 490498513 /nfs/dbraw/zinc/49/85/13/490498513.db2.gz POAFMDYFDXRGEF-OAHLLOKOSA-N 2 2 363.462 0.938 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC[N@@H+](C)C1 ZINC000413116563 490498518 /nfs/dbraw/zinc/49/85/18/490498518.db2.gz POAFMDYFDXRGEF-OAHLLOKOSA-N 2 2 363.462 0.938 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000510332711 490508168 /nfs/dbraw/zinc/50/81/68/490508168.db2.gz KOESEXZLMMCBTR-YOEHRIQHSA-N 2 2 351.451 0.254 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535636520 490509231 /nfs/dbraw/zinc/50/92/31/490509231.db2.gz ZZQTVPJZCPZWOK-JKSUJKDBSA-N 2 2 353.511 0.711 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535636520 490509234 /nfs/dbraw/zinc/50/92/34/490509234.db2.gz ZZQTVPJZCPZWOK-JKSUJKDBSA-N 2 2 353.511 0.711 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985300 490511710 /nfs/dbraw/zinc/51/17/10/490511710.db2.gz DANHINDXLJBWQU-GVDBMIGSSA-N 3 2 360.506 0.999 20 0 FCADLP C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000451081321 490513084 /nfs/dbraw/zinc/51/30/84/490513084.db2.gz KIGXDFSDWQNACM-INIZCTEOSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000451081321 490513088 /nfs/dbraw/zinc/51/30/88/490513088.db2.gz KIGXDFSDWQNACM-INIZCTEOSA-N 2 2 352.523 0.630 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500442758 490516739 /nfs/dbraw/zinc/51/67/39/490516739.db2.gz OSGYWCFBTIEGQL-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000500442758 490516745 /nfs/dbraw/zinc/51/67/45/490516745.db2.gz OSGYWCFBTIEGQL-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000500435022 490516798 /nfs/dbraw/zinc/51/67/98/490516798.db2.gz LVWSUMCPFBSDHW-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CCn4cc[nH+]c4C3)ccn2)CC1 ZINC000548609222 490516777 /nfs/dbraw/zinc/51/67/77/490516777.db2.gz QREFWMTZHSANRS-INIZCTEOSA-N 2 2 369.473 0.844 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000423011560 490517087 /nfs/dbraw/zinc/51/70/87/490517087.db2.gz JFWIHQUFZANDGT-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413921658 490518479 /nfs/dbraw/zinc/51/84/79/490518479.db2.gz OPTUKASITNTQHF-TWMKSMIVSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413921658 490518484 /nfs/dbraw/zinc/51/84/84/490518484.db2.gz OPTUKASITNTQHF-TWMKSMIVSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413921658 490518487 /nfs/dbraw/zinc/51/84/87/490518487.db2.gz OPTUKASITNTQHF-TWMKSMIVSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+](C)C1 ZINC000413921658 490518495 /nfs/dbraw/zinc/51/84/95/490518495.db2.gz OPTUKASITNTQHF-TWMKSMIVSA-N 2 2 369.506 0.683 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000423019987 490520674 /nfs/dbraw/zinc/52/06/74/490520674.db2.gz YDJCMBBYQNGCCI-UKRRQHHQSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423018279 490521829 /nfs/dbraw/zinc/52/18/29/490521829.db2.gz QOSBEJIQAZVANU-KBPBESRZSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423025023 490522890 /nfs/dbraw/zinc/52/28/90/490522890.db2.gz NFLQUQGZXBXOHF-DLBZAZTESA-N 2 2 374.485 0.405 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423026161 490523404 /nfs/dbraw/zinc/52/34/04/490523404.db2.gz AUNFRWPGUXCTOT-HNNXBMFYSA-N 2 2 374.489 0.507 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000423031588 490524210 /nfs/dbraw/zinc/52/42/10/490524210.db2.gz XGFBMPGRQMVOLZ-MRXNPFEDSA-N 2 2 360.458 0.030 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000423031587 490524439 /nfs/dbraw/zinc/52/44/39/490524439.db2.gz XGFBMPGRQMVOLZ-INIZCTEOSA-N 2 2 360.458 0.030 20 0 FCADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C(C)(C)C1 ZINC000500487741 490525173 /nfs/dbraw/zinc/52/51/73/490525173.db2.gz DALOVCPNVQMWGM-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C(C)(C)C1 ZINC000500487741 490525178 /nfs/dbraw/zinc/52/51/78/490525178.db2.gz DALOVCPNVQMWGM-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000535764659 490525674 /nfs/dbraw/zinc/52/56/74/490525674.db2.gz IJNPAFVPTYWSAD-OLZOCXBDSA-N 2 2 374.445 0.903 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000535764659 490525677 /nfs/dbraw/zinc/52/56/77/490525677.db2.gz IJNPAFVPTYWSAD-OLZOCXBDSA-N 2 2 374.445 0.903 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000423040339 490528414 /nfs/dbraw/zinc/52/84/14/490528414.db2.gz TXDQNMKAWQLDHG-MRXNPFEDSA-N 2 2 366.506 0.014 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000423061122 490533056 /nfs/dbraw/zinc/53/30/56/490533056.db2.gz QFAUMQGSCQWWJC-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000524464401 490539552 /nfs/dbraw/zinc/53/95/52/490539552.db2.gz NCVZECCDHMAIFS-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC000500762424 490549200 /nfs/dbraw/zinc/54/92/00/490549200.db2.gz GEXPSPRUGDBFJM-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC000500762424 490549205 /nfs/dbraw/zinc/54/92/05/490549205.db2.gz GEXPSPRUGDBFJM-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000500762424 490549210 /nfs/dbraw/zinc/54/92/10/490549210.db2.gz GEXPSPRUGDBFJM-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000500762424 490549214 /nfs/dbraw/zinc/54/92/14/490549214.db2.gz GEXPSPRUGDBFJM-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000485632548 490550994 /nfs/dbraw/zinc/55/09/94/490550994.db2.gz WYUSKJVQAHHTQD-ZACQAIPSSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000485632548 490550995 /nfs/dbraw/zinc/55/09/95/490550995.db2.gz WYUSKJVQAHHTQD-ZACQAIPSSA-N 2 2 350.507 0.729 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536307083 490566947 /nfs/dbraw/zinc/56/69/47/490566947.db2.gz XKLGKZUYMWIUEY-QZTJIDSGSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536307083 490566949 /nfs/dbraw/zinc/56/69/49/490566949.db2.gz XKLGKZUYMWIUEY-QZTJIDSGSA-N 2 2 362.474 0.253 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013600 490568725 /nfs/dbraw/zinc/56/87/25/490568725.db2.gz FWIJNUUDHNVVBK-MOPGFXCFSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013600 490568729 /nfs/dbraw/zinc/56/87/29/490568729.db2.gz FWIJNUUDHNVVBK-MOPGFXCFSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013600 490568733 /nfs/dbraw/zinc/56/87/33/490568733.db2.gz FWIJNUUDHNVVBK-MOPGFXCFSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013600 490568737 /nfs/dbraw/zinc/56/87/37/490568737.db2.gz FWIJNUUDHNVVBK-MOPGFXCFSA-N 2 2 368.566 0.824 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000536457960 490580745 /nfs/dbraw/zinc/58/07/45/490580745.db2.gz CZNASZPPZHWSLB-UHFFFAOYSA-N 2 2 350.511 0.933 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536457960 490580751 /nfs/dbraw/zinc/58/07/51/490580751.db2.gz CZNASZPPZHWSLB-UHFFFAOYSA-N 2 2 350.511 0.933 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000536457960 490580752 /nfs/dbraw/zinc/58/07/52/490580752.db2.gz CZNASZPPZHWSLB-UHFFFAOYSA-N 2 2 350.511 0.933 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000536457960 490580758 /nfs/dbraw/zinc/58/07/58/490580758.db2.gz CZNASZPPZHWSLB-UHFFFAOYSA-N 2 2 350.511 0.933 20 0 FCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000525242822 490587457 /nfs/dbraw/zinc/58/74/57/490587457.db2.gz HKFHRQWDZHVTQS-GOSISDBHSA-N 2 2 363.506 0.858 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000525231441 490587806 /nfs/dbraw/zinc/58/78/06/490587806.db2.gz ZHFYHVGRNKSLJW-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114321 490591356 /nfs/dbraw/zinc/59/13/56/490591356.db2.gz ALNKOPMDQBNQSA-CJNGLKHVSA-N 2 2 359.474 0.597 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114321 490591362 /nfs/dbraw/zinc/59/13/62/490591362.db2.gz ALNKOPMDQBNQSA-CJNGLKHVSA-N 2 2 359.474 0.597 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)nn1 ZINC000564955838 491340399 /nfs/dbraw/zinc/34/03/99/491340399.db2.gz BCJKYTYFNFCXRQ-DLBZAZTESA-N 2 2 362.478 0.544 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)nn1 ZINC000564955838 491340400 /nfs/dbraw/zinc/34/04/00/491340400.db2.gz BCJKYTYFNFCXRQ-DLBZAZTESA-N 2 2 362.478 0.544 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282707 490605171 /nfs/dbraw/zinc/60/51/71/490605171.db2.gz KSEDLVJSVVNUHE-YVSFHVDLSA-N 2 2 368.522 0.163 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282707 490605177 /nfs/dbraw/zinc/60/51/77/490605177.db2.gz KSEDLVJSVVNUHE-YVSFHVDLSA-N 2 2 368.522 0.163 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550044205 490620235 /nfs/dbraw/zinc/62/02/35/490620235.db2.gz IIXGNOLYDPZZBG-INIZCTEOSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000486453357 490629098 /nfs/dbraw/zinc/62/90/98/490629098.db2.gz FLZKAVULMWBILD-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000486453357 490629102 /nfs/dbraw/zinc/62/91/02/490629102.db2.gz FLZKAVULMWBILD-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448209 490629469 /nfs/dbraw/zinc/62/94/69/490629469.db2.gz QNHXDBBLULEEAE-PBHICJAKSA-N 2 2 360.433 0.827 20 0 FCADLP O=C1[C@@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448209 490629476 /nfs/dbraw/zinc/62/94/76/490629476.db2.gz QNHXDBBLULEEAE-PBHICJAKSA-N 2 2 360.433 0.827 20 0 FCADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486457866 490630312 /nfs/dbraw/zinc/63/03/12/490630312.db2.gz JAJAUGPJAPWFSB-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486457866 490630315 /nfs/dbraw/zinc/63/03/15/490630315.db2.gz JAJAUGPJAPWFSB-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486456280 490631325 /nfs/dbraw/zinc/63/13/25/490631325.db2.gz DNJZNLBTZOKDAV-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486456280 490631332 /nfs/dbraw/zinc/63/13/32/490631332.db2.gz DNJZNLBTZOKDAV-KRWDZBQOSA-N 2 2 374.485 0.550 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCCO2 ZINC000486454051 490631353 /nfs/dbraw/zinc/63/13/53/490631353.db2.gz XILRFUXTIVIQFV-OAHLLOKOSA-N 2 2 374.441 0.293 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCCO2 ZINC000486454051 490631361 /nfs/dbraw/zinc/63/13/61/490631361.db2.gz XILRFUXTIVIQFV-OAHLLOKOSA-N 2 2 374.441 0.293 20 0 FCADLP CC[C@@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000511892124 490634490 /nfs/dbraw/zinc/63/44/90/490634490.db2.gz SUGDGSOGUHPDLS-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000501936839 490657243 /nfs/dbraw/zinc/65/72/43/490657243.db2.gz GCVYQIQUXGNXIV-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000550446953 490670808 /nfs/dbraw/zinc/67/08/08/490670808.db2.gz NXLYJRITWQDENS-UHFFFAOYSA-N 2 2 363.462 0.151 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512449355 490683549 /nfs/dbraw/zinc/68/35/49/490683549.db2.gz FVPUGKCPUJQZNH-WTGUMLROSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000512449355 490683551 /nfs/dbraw/zinc/68/35/51/490683551.db2.gz FVPUGKCPUJQZNH-WTGUMLROSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000512449355 490683553 /nfs/dbraw/zinc/68/35/53/490683553.db2.gz FVPUGKCPUJQZNH-WTGUMLROSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000512449355 490683556 /nfs/dbraw/zinc/68/35/56/490683556.db2.gz FVPUGKCPUJQZNH-WTGUMLROSA-N 2 2 366.550 0.576 20 0 FCADLP CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000556972298 491345761 /nfs/dbraw/zinc/34/57/61/491345761.db2.gz ZXXZUYZJOMCAKT-ZDUSSCGKSA-N 2 2 352.439 0.288 20 0 FCADLP CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000556972298 491345763 /nfs/dbraw/zinc/34/57/63/491345763.db2.gz ZXXZUYZJOMCAKT-ZDUSSCGKSA-N 2 2 352.439 0.288 20 0 FCADLP O=C(C[NH+]1CCC(N2CN=NC2=O)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000572056399 491345926 /nfs/dbraw/zinc/34/59/26/491345926.db2.gz ZEXZSFKRJCLSGG-UHFFFAOYSA-N 2 2 374.445 0.558 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCO1 ZINC000527077617 490697205 /nfs/dbraw/zinc/69/72/05/490697205.db2.gz WQTTUXYTTRAMGK-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCO1 ZINC000527077617 490697210 /nfs/dbraw/zinc/69/72/10/490697210.db2.gz WQTTUXYTTRAMGK-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000527092397 490698695 /nfs/dbraw/zinc/69/86/95/490698695.db2.gz SLQCERHJZVRXFX-UHFFFAOYSA-N 2 2 359.430 0.958 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000487465222 490714191 /nfs/dbraw/zinc/71/41/91/490714191.db2.gz BREUIQHHFXINRQ-SFHVURJKSA-N 2 2 369.554 0.358 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000487465222 490714192 /nfs/dbraw/zinc/71/41/92/490714192.db2.gz BREUIQHHFXINRQ-SFHVURJKSA-N 2 2 369.554 0.358 20 0 FCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000538216079 490719796 /nfs/dbraw/zinc/71/97/96/490719796.db2.gz FMBHGHAHUUCFPI-MRXNPFEDSA-N 2 2 369.535 0.792 20 0 FCADLP O=C(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCC[NH+]1CCOCC1 ZINC000487658574 490722739 /nfs/dbraw/zinc/72/27/39/490722739.db2.gz AINYQSFYMQQPKH-MRXNPFEDSA-N 2 2 366.506 0.206 20 0 FCADLP O=C(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCC[NH+]1CCOCC1 ZINC000487658574 490722744 /nfs/dbraw/zinc/72/27/44/490722744.db2.gz AINYQSFYMQQPKH-MRXNPFEDSA-N 2 2 366.506 0.206 20 0 FCADLP C[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000538839706 490754086 /nfs/dbraw/zinc/75/40/86/490754086.db2.gz TZHOVNZDTDUJBO-RDJZCZTQSA-N 2 2 366.506 0.108 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000557092498 491352736 /nfs/dbraw/zinc/35/27/36/491352736.db2.gz XLSCFNJFBQZQMQ-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000503637808 490768300 /nfs/dbraw/zinc/76/83/00/490768300.db2.gz UWUCBYUECOPZBG-UHFFFAOYSA-N 2 2 360.458 0.322 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)C[C@@H](C)O1 ZINC000514668235 490779095 /nfs/dbraw/zinc/77/90/95/490779095.db2.gz AUPMNLOJJHTMDP-MGPQQGTHSA-N 2 2 371.428 0.754 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000514677618 490781495 /nfs/dbraw/zinc/78/14/95/490781495.db2.gz JTOTXBWMLNQDJK-LLVKDONJSA-N 2 2 365.459 0.753 20 0 FCADLP CN(C)C(=O)NCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539725850 490793816 /nfs/dbraw/zinc/79/38/16/490793816.db2.gz PVUNKTRWIHGMMS-UHFFFAOYSA-N 2 2 362.478 0.323 20 0 FCADLP CN(C)C(=O)NCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000539725850 490793818 /nfs/dbraw/zinc/79/38/18/490793818.db2.gz PVUNKTRWIHGMMS-UHFFFAOYSA-N 2 2 362.478 0.323 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000514930492 490798018 /nfs/dbraw/zinc/79/80/18/490798018.db2.gz AETBTQTZPOPWME-KDURUIRLSA-N 2 2 370.497 0.992 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000514961036 490801027 /nfs/dbraw/zinc/80/10/27/490801027.db2.gz CHGRIAQAHYULAC-UHFFFAOYSA-N 2 2 361.490 0.803 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000540064151 490807203 /nfs/dbraw/zinc/80/72/03/490807203.db2.gz HFPHZTWAUGPAPG-UHFFFAOYSA-N 2 2 358.486 0.997 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000540064151 490807205 /nfs/dbraw/zinc/80/72/05/490807205.db2.gz HFPHZTWAUGPAPG-UHFFFAOYSA-N 2 2 358.486 0.997 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171682 490809073 /nfs/dbraw/zinc/80/90/73/490809073.db2.gz VPJXWIXPDYUVSX-PBHICJAKSA-N 2 2 372.535 0.100 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171682 490809074 /nfs/dbraw/zinc/80/90/74/490809074.db2.gz VPJXWIXPDYUVSX-PBHICJAKSA-N 2 2 372.535 0.100 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000515145846 490809886 /nfs/dbraw/zinc/80/98/86/490809886.db2.gz DUMKCJVUWNIPMY-IAGOWNOFSA-N 2 2 373.501 0.168 20 0 FCADLP CN(CCC[NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000515143084 490810091 /nfs/dbraw/zinc/81/00/91/490810091.db2.gz NUORHVJEXAFYDW-UHFFFAOYSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000540229791 490810484 /nfs/dbraw/zinc/81/04/84/490810484.db2.gz NOOWNNUZPPUUGM-NUJGCVRESA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C[C@@H](C)O1 ZINC000540229791 490810487 /nfs/dbraw/zinc/81/04/87/490810487.db2.gz NOOWNNUZPPUUGM-NUJGCVRESA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000540245321 490811003 /nfs/dbraw/zinc/81/10/03/490811003.db2.gz QYZPQHMSIFNFJB-CALCHBBNSA-N 2 2 369.506 0.435 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000540245321 490811004 /nfs/dbraw/zinc/81/10/04/490811004.db2.gz QYZPQHMSIFNFJB-CALCHBBNSA-N 2 2 369.506 0.435 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000528680285 490818637 /nfs/dbraw/zinc/81/86/37/490818637.db2.gz MYWHFUFXSAQUAV-OAHLLOKOSA-N 2 2 350.467 0.677 20 0 FCADLP CC[NH2+]CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000515375876 490822403 /nfs/dbraw/zinc/82/24/03/490822403.db2.gz YAQFOZRODFHEJL-MRXNPFEDSA-N 2 2 353.511 0.714 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)[C@@H](C[NH3+])C1 ZINC000557183148 491358351 /nfs/dbraw/zinc/35/83/51/491358351.db2.gz SKQGSAVBCVUCME-LBPRGKRZSA-N 2 2 361.368 0.764 20 0 FCADLP C[C@]1(CO)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@]1(C)CO ZINC000528751567 490826172 /nfs/dbraw/zinc/82/61/72/490826172.db2.gz LWVSSLMRCITRJC-KDURUIRLSA-N 2 2 365.474 0.237 20 0 FCADLP C[C@]1(CO)C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@]1(C)CO ZINC000528751567 490826174 /nfs/dbraw/zinc/82/61/74/490826174.db2.gz LWVSSLMRCITRJC-KDURUIRLSA-N 2 2 365.474 0.237 20 0 FCADLP COCC[C@]1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000515631767 490833701 /nfs/dbraw/zinc/83/37/01/490833701.db2.gz TUXKZXNXQOTHDK-IBGZPJMESA-N 2 2 362.474 0.906 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702206 490836204 /nfs/dbraw/zinc/83/62/04/490836204.db2.gz AFSOCCXWQZQFNV-SJLPKXTDSA-N 2 2 363.458 0.132 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702206 490836207 /nfs/dbraw/zinc/83/62/07/490836207.db2.gz AFSOCCXWQZQFNV-SJLPKXTDSA-N 2 2 363.458 0.132 20 0 FCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000557241483 491361126 /nfs/dbraw/zinc/36/11/26/491361126.db2.gz FMYSCCSTKCFMMV-KNCOVGOOSA-N 2 2 350.488 0.981 20 0 FCADLP C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[NH+]1CCN(C)CC1 ZINC000572301301 491361151 /nfs/dbraw/zinc/36/11/51/491361151.db2.gz AULPDKLKBVXWPZ-RDJZCZTQSA-N 2 2 354.564 0.956 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529304052 490848601 /nfs/dbraw/zinc/84/86/01/490848601.db2.gz SUBLJVVESPLEBH-QGZVFWFLSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529304052 490848603 /nfs/dbraw/zinc/84/86/03/490848603.db2.gz SUBLJVVESPLEBH-QGZVFWFLSA-N 2 2 368.522 0.897 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)([NH+]2CCOCC2)C1 ZINC000529320082 490851377 /nfs/dbraw/zinc/85/13/77/490851377.db2.gz CZLJWASZWYFGLA-UPTPFMHGSA-N 2 2 366.506 0.840 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000516206955 490856745 /nfs/dbraw/zinc/85/67/45/490856745.db2.gz JBVVIEDLZXNFHI-UHFFFAOYSA-N 2 2 365.415 0.326 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000529377766 490858537 /nfs/dbraw/zinc/85/85/37/490858537.db2.gz YPDXIPHCUIRVHQ-OAHLLOKOSA-N 2 2 358.446 0.150 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000516327017 490860768 /nfs/dbraw/zinc/86/07/68/490860768.db2.gz LMYFLQBXRGTRLL-QBPKDAKJSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000516327017 490860770 /nfs/dbraw/zinc/86/07/70/490860770.db2.gz LMYFLQBXRGTRLL-QBPKDAKJSA-N 2 2 368.522 0.448 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000516562185 490868025 /nfs/dbraw/zinc/86/80/25/490868025.db2.gz DFTGEZMFJHRWSM-BZSNNMDCSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000516562185 490868027 /nfs/dbraw/zinc/86/80/27/490868027.db2.gz DFTGEZMFJHRWSM-BZSNNMDCSA-N 2 2 356.470 0.712 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000516731993 490875872 /nfs/dbraw/zinc/87/58/72/490875872.db2.gz CVIRPFSITQSRJM-QZTJIDSGSA-N 2 2 369.469 0.916 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000516731993 490875875 /nfs/dbraw/zinc/87/58/75/490875875.db2.gz CVIRPFSITQSRJM-QZTJIDSGSA-N 2 2 369.469 0.916 20 0 FCADLP CS(=O)(=O)N(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000516770911 490877190 /nfs/dbraw/zinc/87/71/90/490877190.db2.gz SURTVVWTSGZPLX-GOSISDBHSA-N 2 2 366.531 0.428 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557199034 491359317 /nfs/dbraw/zinc/35/93/17/491359317.db2.gz KXKZRUWNESFAJE-INIZCTEOSA-N 3 2 364.494 0.196 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557199034 491359318 /nfs/dbraw/zinc/35/93/18/491359318.db2.gz KXKZRUWNESFAJE-INIZCTEOSA-N 3 2 364.494 0.196 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000516965472 490888106 /nfs/dbraw/zinc/88/81/06/490888106.db2.gz WPGUGIVYRDTARO-CYBMUJFWSA-N 2 2 372.420 0.582 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000517027712 490891832 /nfs/dbraw/zinc/89/18/32/490891832.db2.gz VERVDQYZGWNSAZ-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP CN(C)c1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC000517082084 490894350 /nfs/dbraw/zinc/89/43/50/490894350.db2.gz WSNRDPVXWXJHQD-HNNXBMFYSA-N 2 2 362.478 0.534 20 0 FCADLP CN(C)c1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC000517082084 490894351 /nfs/dbraw/zinc/89/43/51/490894351.db2.gz WSNRDPVXWXJHQD-HNNXBMFYSA-N 2 2 362.478 0.534 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CC[NH2+]CC3(C)C)ccn2)CC1 ZINC000517092608 490894882 /nfs/dbraw/zinc/89/48/82/490894882.db2.gz GXPOTKSKZCWEEV-INIZCTEOSA-N 2 2 374.489 0.979 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000517140568 490896476 /nfs/dbraw/zinc/89/64/76/490896476.db2.gz RVWCQURUWQCUKW-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000517140568 490896478 /nfs/dbraw/zinc/89/64/78/490896478.db2.gz RVWCQURUWQCUKW-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000517173068 490897272 /nfs/dbraw/zinc/89/72/72/490897272.db2.gz SDHKHLSXEKXRPL-UKRRQHHQSA-N 2 2 356.492 0.556 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000517173068 490897274 /nfs/dbraw/zinc/89/72/74/490897274.db2.gz SDHKHLSXEKXRPL-UKRRQHHQSA-N 2 2 356.492 0.556 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000517173066 490897325 /nfs/dbraw/zinc/89/73/25/490897325.db2.gz SDHKHLSXEKXRPL-DZGCQCFKSA-N 2 2 356.492 0.556 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000517173066 490897327 /nfs/dbraw/zinc/89/73/27/490897327.db2.gz SDHKHLSXEKXRPL-DZGCQCFKSA-N 2 2 356.492 0.556 20 0 FCADLP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000517215754 490899445 /nfs/dbraw/zinc/89/94/45/490899445.db2.gz NRFANTMXPOHJCR-UHFFFAOYSA-N 2 2 374.485 0.262 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000517222568 490900024 /nfs/dbraw/zinc/90/00/24/490900024.db2.gz RGUJERMFZJHQBV-BBWFWOEESA-N 2 2 354.495 0.458 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+]1CCOCC1 ZINC000517222568 490900025 /nfs/dbraw/zinc/90/00/25/490900025.db2.gz RGUJERMFZJHQBV-BBWFWOEESA-N 2 2 354.495 0.458 20 0 FCADLP COCCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000517556997 490911762 /nfs/dbraw/zinc/91/17/62/490911762.db2.gz SYASLEGWSSXPCB-ZOBUZTSGSA-N 2 2 353.463 0.667 20 0 FCADLP CC(C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000517692782 490916947 /nfs/dbraw/zinc/91/69/47/490916947.db2.gz OGMCDLBOBWWLAL-QGZVFWFLSA-N 2 2 354.495 0.062 20 0 FCADLP CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000517803995 490922040 /nfs/dbraw/zinc/92/20/40/490922040.db2.gz WKIDASFLMMKNMD-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCCCS3(=O)=O)cn2)CC1 ZINC000543237948 490926873 /nfs/dbraw/zinc/92/68/73/490926873.db2.gz DRQFTUPHRJGSQQ-HNNXBMFYSA-N 2 2 353.492 0.285 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000518179299 490932351 /nfs/dbraw/zinc/93/23/51/490932351.db2.gz TXUOLMBQTKEDBO-LJQANCHMSA-N 2 2 370.497 0.934 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1F ZINC000572402018 491368020 /nfs/dbraw/zinc/36/80/20/491368020.db2.gz RPDRGFZNFDJYPD-UHFFFAOYSA-N 2 2 362.449 0.810 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCCC[N@H+](C)CCOC)C2)CC1 ZINC000518522951 490944272 /nfs/dbraw/zinc/94/42/72/490944272.db2.gz WFBMCWHCCBPVBL-KRWDZBQOSA-N 2 2 355.527 0.376 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCCC[N@@H+](C)CCOC)C2)CC1 ZINC000518522951 490944273 /nfs/dbraw/zinc/94/42/73/490944273.db2.gz WFBMCWHCCBPVBL-KRWDZBQOSA-N 2 2 355.527 0.376 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000518628694 490947218 /nfs/dbraw/zinc/94/72/18/490947218.db2.gz IVCANSPPGMDFRY-OAHLLOKOSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000518745072 490949864 /nfs/dbraw/zinc/94/98/64/490949864.db2.gz YELFVOCWQTUIPJ-UONOGXRCSA-N 2 2 359.474 0.919 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000518745072 490949866 /nfs/dbraw/zinc/94/98/66/490949866.db2.gz YELFVOCWQTUIPJ-UONOGXRCSA-N 2 2 359.474 0.919 20 0 FCADLP CCN1CC[NH+](CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000531281584 490950124 /nfs/dbraw/zinc/95/01/24/490950124.db2.gz PBBANDNOOJGSAR-UHFFFAOYSA-N 2 2 360.506 0.800 20 0 FCADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000518757964 490950186 /nfs/dbraw/zinc/95/01/86/490950186.db2.gz PSJLPGYJRNNHRA-LJQANCHMSA-N 3 2 357.502 0.672 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@H+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000519284156 490967783 /nfs/dbraw/zinc/96/77/83/490967783.db2.gz DLDQQEGPEAMGBO-LMMKCTJWSA-N 2 2 365.522 0.398 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000519284156 490967785 /nfs/dbraw/zinc/96/77/85/490967785.db2.gz DLDQQEGPEAMGBO-LMMKCTJWSA-N 2 2 365.522 0.398 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)[nH+]c12 ZINC000531732604 490972010 /nfs/dbraw/zinc/97/20/10/490972010.db2.gz JSFWDKCTWODRQX-KRWDZBQOSA-N 2 2 369.469 0.950 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)[nH+]c12 ZINC000531732604 490972011 /nfs/dbraw/zinc/97/20/11/490972011.db2.gz JSFWDKCTWODRQX-KRWDZBQOSA-N 2 2 369.469 0.950 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612481157 491923839 /nfs/dbraw/zinc/92/38/39/491923839.db2.gz QVAINMSRDCZVCH-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000569558552 491168194 /nfs/dbraw/zinc/16/81/94/491168194.db2.gz VBURFLOFDQJVMD-QGZVFWFLSA-N 2 2 359.474 0.593 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCC(=O)N2Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000569558552 491168198 /nfs/dbraw/zinc/16/81/98/491168198.db2.gz VBURFLOFDQJVMD-QGZVFWFLSA-N 2 2 359.474 0.593 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1)Nc1ccccc1 ZINC000569576102 491169778 /nfs/dbraw/zinc/16/97/78/491169778.db2.gz MKIPNBNHQYACFR-IYBDPMFKSA-N 2 2 371.485 0.950 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562689609 491181083 /nfs/dbraw/zinc/18/10/83/491181083.db2.gz ARSDNJKBYHJCDW-CQSZACIVSA-N 2 2 350.467 0.025 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000569713557 491184677 /nfs/dbraw/zinc/18/46/77/491184677.db2.gz UPYZMRIIFVNORA-MJGOQNOKSA-N 2 2 370.497 0.707 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@@]1(C)C[NH3+] ZINC000565470400 491378600 /nfs/dbraw/zinc/37/86/00/491378600.db2.gz OKPHLUQJNAQMLB-DJIMGWMZSA-N 2 2 356.536 0.821 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000572626886 491382535 /nfs/dbraw/zinc/38/25/35/491382535.db2.gz AKWKPLPSQPHYSV-JYJNAYRXSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000572626886 491382537 /nfs/dbraw/zinc/38/25/37/491382537.db2.gz AKWKPLPSQPHYSV-JYJNAYRXSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000557553647 491382550 /nfs/dbraw/zinc/38/25/50/491382550.db2.gz HBHNHYXSUAEJLY-OAHLLOKOSA-N 2 2 362.478 0.045 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000557553647 491382552 /nfs/dbraw/zinc/38/25/52/491382552.db2.gz HBHNHYXSUAEJLY-OAHLLOKOSA-N 2 2 362.478 0.045 20 0 FCADLP COc1c[nH+]c(NCC2CC[NH+](C)CC2)nc1NCC1CC[NH+](C)CC1 ZINC000557569501 491383759 /nfs/dbraw/zinc/38/37/59/491383759.db2.gz GGKCOTVPWJDSER-UHFFFAOYSA-N 3 2 362.522 0.836 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000557581032 491385199 /nfs/dbraw/zinc/38/51/99/491385199.db2.gz KAXIOWYKDBJGLD-ZIAGYGMSSA-N 2 2 372.473 0.970 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CCN2C1=O ZINC000565610679 491388919 /nfs/dbraw/zinc/38/89/19/491388919.db2.gz YDPSKGGOKZGTOL-QWHCGFSZSA-N 2 2 362.821 0.441 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000660301601 493341304 /nfs/dbraw/zinc/34/13/04/493341304.db2.gz VNMBXWHGRMMRKQ-ZACQAIPSSA-N 2 2 354.495 0.602 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000565651708 491390795 /nfs/dbraw/zinc/39/07/95/491390795.db2.gz PWPZRXYQERYTAK-WNRNVDISSA-N 3 2 350.507 0.430 20 0 FCADLP O=S(=O)(NCc1ccccc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000572768478 491392628 /nfs/dbraw/zinc/39/26/28/491392628.db2.gz BIAQVMCUWCNBTI-UHFFFAOYSA-N 2 2 363.487 0.925 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000557741924 491395082 /nfs/dbraw/zinc/39/50/82/491395082.db2.gz KNZYVEMNAXFGHR-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000557741924 491395083 /nfs/dbraw/zinc/39/50/83/491395083.db2.gz KNZYVEMNAXFGHR-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000557741924 491395084 /nfs/dbraw/zinc/39/50/84/491395084.db2.gz KNZYVEMNAXFGHR-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000557741924 491395085 /nfs/dbraw/zinc/39/50/85/491395085.db2.gz KNZYVEMNAXFGHR-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP Cc1c[nH+]c2cc(-c3nc(CC(=O)NCC[NH+]4CCOCC4)no3)ccn12 ZINC000565725953 491395615 /nfs/dbraw/zinc/39/56/15/491395615.db2.gz NAQBCPHDTYTDQX-UHFFFAOYSA-N 2 2 370.413 0.684 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000565833704 491402450 /nfs/dbraw/zinc/40/24/50/491402450.db2.gz PSJLEMRDQNGQGR-ROUUACIJSA-N 2 2 356.470 0.541 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000572951406 491402999 /nfs/dbraw/zinc/40/29/99/491402999.db2.gz NPUOJOBMEPCALR-FGTMMUONSA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000572951406 491403001 /nfs/dbraw/zinc/40/30/01/491403001.db2.gz NPUOJOBMEPCALR-FGTMMUONSA-N 2 2 356.470 0.570 20 0 FCADLP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000572975357 491404903 /nfs/dbraw/zinc/40/49/03/491404903.db2.gz FUGFLDINNLMGCT-QGZVFWFLSA-N 3 2 363.506 0.801 20 0 FCADLP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000572975357 491404905 /nfs/dbraw/zinc/40/49/05/491404905.db2.gz FUGFLDINNLMGCT-QGZVFWFLSA-N 3 2 363.506 0.801 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000557973877 491407217 /nfs/dbraw/zinc/40/72/17/491407217.db2.gz HYJMSRIYDAGESI-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCOCC2)cc1 ZINC000573073208 491410654 /nfs/dbraw/zinc/41/06/54/491410654.db2.gz YJRNGZHDEGSXSO-ZWKOTPCHSA-N 2 2 362.474 0.656 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)c1cccc(C(=O)NCc2c[nH+]cn2C)n1 ZINC000573146299 491415756 /nfs/dbraw/zinc/41/57/56/491415756.db2.gz WRLUBYSYFJIBLE-UHFFFAOYSA-N 2 2 353.386 0.409 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NCC1CC[NH2+]CC1 ZINC000573190715 491417626 /nfs/dbraw/zinc/41/76/26/491417626.db2.gz VNTWYQNKZDXCIY-UHFFFAOYSA-N 2 2 350.488 0.338 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NCC1CC[NH2+]CC1 ZINC000573190715 491417629 /nfs/dbraw/zinc/41/76/29/491417629.db2.gz VNTWYQNKZDXCIY-UHFFFAOYSA-N 2 2 350.488 0.338 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573197562 491418478 /nfs/dbraw/zinc/41/84/78/491418478.db2.gz JBXKIQCDIZRZFT-GUDVDZBRSA-N 2 2 360.502 0.858 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000566132423 491419305 /nfs/dbraw/zinc/41/93/05/491419305.db2.gz XAAHODWTEDRBBU-XLKGFZLASA-N 2 2 352.479 0.557 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558228240 491421447 /nfs/dbraw/zinc/42/14/47/491421447.db2.gz HMKMIRSHJHYKKF-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558228251 491421594 /nfs/dbraw/zinc/42/15/94/491421594.db2.gz HMKMIRSHJHYKKF-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000573392341 491430857 /nfs/dbraw/zinc/43/08/57/491430857.db2.gz MVXDIOJCGJBNAZ-UHFFFAOYSA-N 2 2 365.478 0.349 20 0 FCADLP COCCOc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1OC ZINC000573425809 491432106 /nfs/dbraw/zinc/43/21/06/491432106.db2.gz BXULCPCFKNRILZ-CQSZACIVSA-N 2 2 352.435 0.827 20 0 FCADLP COCCOc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC ZINC000573425809 491432109 /nfs/dbraw/zinc/43/21/09/491432109.db2.gz BXULCPCFKNRILZ-CQSZACIVSA-N 2 2 352.435 0.827 20 0 FCADLP Cc1cccn2cc(CC(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)[nH+]c12 ZINC000566295447 491433558 /nfs/dbraw/zinc/43/35/58/491433558.db2.gz NXPFGPXMHLCWCY-APWZRJJASA-N 2 2 369.469 0.948 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000573510680 491438244 /nfs/dbraw/zinc/43/82/44/491438244.db2.gz RICUBPMHOTWTSJ-MRXNPFEDSA-N 2 2 364.446 0.146 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000573510680 491438245 /nfs/dbraw/zinc/43/82/45/491438245.db2.gz RICUBPMHOTWTSJ-MRXNPFEDSA-N 2 2 364.446 0.146 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000573548828 491439927 /nfs/dbraw/zinc/43/99/27/491439927.db2.gz IEAHRCYDPLXPFK-COXVUDFISA-N 2 2 367.444 0.913 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000573548828 491439929 /nfs/dbraw/zinc/43/99/29/491439929.db2.gz IEAHRCYDPLXPFK-COXVUDFISA-N 2 2 367.444 0.913 20 0 FCADLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000566424251 491442610 /nfs/dbraw/zinc/44/26/10/491442610.db2.gz VXNKIWWMRQZSNL-ROUUACIJSA-N 2 2 361.486 0.884 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3(C)C[NH2+]C3)c2)CC1 ZINC000566563112 491453725 /nfs/dbraw/zinc/45/37/25/491453725.db2.gz BLJFERLBABBNOD-UHFFFAOYSA-N 2 2 366.487 0.561 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573785316 491454694 /nfs/dbraw/zinc/45/46/94/491454694.db2.gz LNBIFFPUKQSANR-ROUUACIJSA-N 2 2 361.490 0.090 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573785316 491454696 /nfs/dbraw/zinc/45/46/96/491454696.db2.gz LNBIFFPUKQSANR-ROUUACIJSA-N 2 2 361.490 0.090 20 0 FCADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668377183 493344088 /nfs/dbraw/zinc/34/40/88/493344088.db2.gz YQZMKSJZPDLKPJ-GOSISDBHSA-N 2 2 369.469 0.775 20 0 FCADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668377183 493344092 /nfs/dbraw/zinc/34/40/92/493344092.db2.gz YQZMKSJZPDLKPJ-GOSISDBHSA-N 2 2 369.469 0.775 20 0 FCADLP C[NH+](C)CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000559154281 491455829 /nfs/dbraw/zinc/45/58/29/491455829.db2.gz RTWCEMPBVXWRQJ-MRXNPFEDSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000566667886 491459164 /nfs/dbraw/zinc/45/91/64/491459164.db2.gz RVJLWORMUKDVOC-GJZGRUSLSA-N 2 2 367.519 0.406 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000566667886 491459165 /nfs/dbraw/zinc/45/91/65/491459165.db2.gz RVJLWORMUKDVOC-GJZGRUSLSA-N 2 2 367.519 0.406 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573902371 491461369 /nfs/dbraw/zinc/46/13/69/491461369.db2.gz JBAIFKZWUDOXNZ-QZTJIDSGSA-N 2 2 372.469 0.988 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCCN(CCO)C3=O)c2cc1C ZINC000573920670 491462856 /nfs/dbraw/zinc/46/28/56/491462856.db2.gz SWTCFAZMGNONJE-HZPDHXFCSA-N 2 2 360.458 0.587 20 0 FCADLP COc1ccc([C@@H](NC(=O)c2cn(CCC[NH3+])nn2)c2[nH+]ccn2C)cc1 ZINC000566735201 491463616 /nfs/dbraw/zinc/46/36/16/491463616.db2.gz BPKIHVQZOGOHIW-MRXNPFEDSA-N 2 2 369.429 0.888 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000566736463 491463855 /nfs/dbraw/zinc/46/38/55/491463855.db2.gz AIPSXSJMTQLYFD-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000566736463 491463857 /nfs/dbraw/zinc/46/38/57/491463857.db2.gz AIPSXSJMTQLYFD-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000566734997 491463928 /nfs/dbraw/zinc/46/39/28/491463928.db2.gz VXRMEJWNBNDKCR-SFHVURJKSA-N 2 2 374.485 0.393 20 0 FCADLP COc1ccc(OC)c(CCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000573942296 491464234 /nfs/dbraw/zinc/46/42/34/491464234.db2.gz RKKJYGXTOCXAGW-HNNXBMFYSA-N 2 2 350.463 0.921 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000559376935 491468463 /nfs/dbraw/zinc/46/84/63/491468463.db2.gz DBXRTBHQIQYJBK-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000559387670 491469246 /nfs/dbraw/zinc/46/92/46/491469246.db2.gz JYQNQRAKXGBKEF-UHFFFAOYSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000574135467 491476238 /nfs/dbraw/zinc/47/62/38/491476238.db2.gz MTFGUOCKKBCHNT-MHORFTMASA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000574135467 491476241 /nfs/dbraw/zinc/47/62/41/491476241.db2.gz MTFGUOCKKBCHNT-MHORFTMASA-N 2 2 368.522 0.726 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000559599907 491484606 /nfs/dbraw/zinc/48/46/06/491484606.db2.gz LQIQZBNKNVKYQP-MRXNPFEDSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000559599907 491484609 /nfs/dbraw/zinc/48/46/09/491484609.db2.gz LQIQZBNKNVKYQP-MRXNPFEDSA-N 2 2 354.495 0.060 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000567092451 491485222 /nfs/dbraw/zinc/48/52/22/491485222.db2.gz IUCZCCKIYCAXQV-UHFFFAOYSA-N 3 2 357.462 0.827 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339763 491490493 /nfs/dbraw/zinc/49/04/93/491490493.db2.gz MZKUTTMWLPRHCM-HOCLYGCPSA-N 2 2 362.499 0.529 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339763 491490495 /nfs/dbraw/zinc/49/04/95/491490495.db2.gz MZKUTTMWLPRHCM-HOCLYGCPSA-N 2 2 362.499 0.529 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000559670114 491490704 /nfs/dbraw/zinc/49/07/04/491490704.db2.gz FDOBSXHYWPQPCE-ZBFHGGJFSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000559670114 491490705 /nfs/dbraw/zinc/49/07/05/491490705.db2.gz FDOBSXHYWPQPCE-ZBFHGGJFSA-N 2 2 359.474 0.897 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000567260267 491495401 /nfs/dbraw/zinc/49/54/01/491495401.db2.gz BAHMVFCDVRELSC-HNNXBMFYSA-N 2 2 364.515 0.850 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)no1 ZINC000567270530 491495691 /nfs/dbraw/zinc/49/56/91/491495691.db2.gz CQWMIEKQHFKPFP-DLBZAZTESA-N 2 2 358.442 1.537 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)no1 ZINC000567270530 491495692 /nfs/dbraw/zinc/49/56/92/491495692.db2.gz CQWMIEKQHFKPFP-DLBZAZTESA-N 2 2 358.442 1.537 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c[nH+]1 ZINC000559769204 491498026 /nfs/dbraw/zinc/49/80/26/491498026.db2.gz NMTBCMFRYYPEHI-HNNXBMFYSA-N 2 2 356.430 0.652 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567350438 491501056 /nfs/dbraw/zinc/50/10/56/491501056.db2.gz HTMSUMQPAOFZKB-INIZCTEOSA-N 2 2 373.461 0.589 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559905567 491509238 /nfs/dbraw/zinc/50/92/38/491509238.db2.gz KMFBYXPMKQUJAI-UHFFFAOYSA-N 2 2 359.474 0.990 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000574662177 491511929 /nfs/dbraw/zinc/51/19/29/491511929.db2.gz DSKSSBMAXJDVGU-UHFFFAOYSA-N 2 2 368.522 0.549 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000560034896 491517067 /nfs/dbraw/zinc/51/70/67/491517067.db2.gz PDQKZDCTCAFHKT-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000560034896 491517071 /nfs/dbraw/zinc/51/70/71/491517071.db2.gz PDQKZDCTCAFHKT-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000574742237 491517262 /nfs/dbraw/zinc/51/72/62/491517262.db2.gz ZIQJVFBZUWLXHS-GOEBONIOSA-N 2 2 351.495 0.228 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000567611049 491517927 /nfs/dbraw/zinc/51/79/27/491517927.db2.gz FBHGNOJHHXJCBW-ZDUSSCGKSA-N 2 2 354.401 0.576 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000567611049 491517929 /nfs/dbraw/zinc/51/79/29/491517929.db2.gz FBHGNOJHHXJCBW-ZDUSSCGKSA-N 2 2 354.401 0.576 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000574904865 491526709 /nfs/dbraw/zinc/52/67/09/491526709.db2.gz OPWHLFOUPPLLPF-UHFFFAOYSA-N 2 2 362.474 0.962 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000575046192 491535792 /nfs/dbraw/zinc/53/57/92/491535792.db2.gz GHYMYOHHKOHVPF-XWTMOSNGSA-N 2 2 352.475 0.794 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000575046192 491535793 /nfs/dbraw/zinc/53/57/93/491535793.db2.gz GHYMYOHHKOHVPF-XWTMOSNGSA-N 2 2 352.475 0.794 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889610 491538511 /nfs/dbraw/zinc/53/85/11/491538511.db2.gz CGRGHUXZSCJNCC-IRXDYDNUSA-N 2 2 356.470 0.736 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889610 491538512 /nfs/dbraw/zinc/53/85/12/491538512.db2.gz CGRGHUXZSCJNCC-IRXDYDNUSA-N 2 2 356.470 0.736 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000575153028 491542294 /nfs/dbraw/zinc/54/22/94/491542294.db2.gz JJUZXMPVOFPEOA-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000575163835 491542704 /nfs/dbraw/zinc/54/27/04/491542704.db2.gz YSVQTFYSGPSXML-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000575163835 491542706 /nfs/dbraw/zinc/54/27/06/491542706.db2.gz YSVQTFYSGPSXML-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560505606 491542866 /nfs/dbraw/zinc/54/28/66/491542866.db2.gz PRMPLZONMUWBRM-HIRMHNASSA-N 2 2 353.507 0.693 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560505606 491542868 /nfs/dbraw/zinc/54/28/68/491542868.db2.gz PRMPLZONMUWBRM-HIRMHNASSA-N 2 2 353.507 0.693 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](n4cc(CO)nn4)C3)cn2)CC1 ZINC000560594394 491546314 /nfs/dbraw/zinc/54/63/14/491546314.db2.gz IAPKCLYXNZQFBX-QGZVFWFLSA-N 2 2 372.477 0.149 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](n4cc(CO)nn4)C3)cn2)CC1 ZINC000560594394 491546317 /nfs/dbraw/zinc/54/63/17/491546317.db2.gz IAPKCLYXNZQFBX-QGZVFWFLSA-N 2 2 372.477 0.149 20 0 FCADLP C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568057691 491550604 /nfs/dbraw/zinc/55/06/04/491550604.db2.gz MQUGVQLAGVRTCA-HOTGVXAUSA-N 2 2 371.485 0.910 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1ccc(Cl)cc1 ZINC000575428414 491554327 /nfs/dbraw/zinc/55/43/27/491554327.db2.gz UGLFTAVIFUOAAB-MRXNPFEDSA-N 2 2 352.866 0.881 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)c1ccc(Cl)cc1 ZINC000575428414 491554330 /nfs/dbraw/zinc/55/43/30/491554330.db2.gz UGLFTAVIFUOAAB-MRXNPFEDSA-N 2 2 352.866 0.881 20 0 FCADLP CN1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1=O ZINC000568176701 491557468 /nfs/dbraw/zinc/55/74/68/491557468.db2.gz CHBPAIHKKMAINZ-MRXNPFEDSA-N 2 2 364.515 0.945 20 0 FCADLP CN1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1=O ZINC000568176701 491557469 /nfs/dbraw/zinc/55/74/69/491557469.db2.gz CHBPAIHKKMAINZ-MRXNPFEDSA-N 2 2 364.515 0.945 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748707 491558276 /nfs/dbraw/zinc/55/82/76/491558276.db2.gz UADBVRCQBFJIBP-STQMWFEESA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748707 491558279 /nfs/dbraw/zinc/55/82/79/491558279.db2.gz UADBVRCQBFJIBP-STQMWFEESA-N 2 2 354.476 0.640 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000560906852 491564519 /nfs/dbraw/zinc/56/45/19/491564519.db2.gz JQMJRJSXYHOFGP-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000560906852 491564521 /nfs/dbraw/zinc/56/45/21/491564521.db2.gz JQMJRJSXYHOFGP-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000560906852 491564523 /nfs/dbraw/zinc/56/45/23/491564523.db2.gz JQMJRJSXYHOFGP-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000560906852 491564525 /nfs/dbraw/zinc/56/45/25/491564525.db2.gz JQMJRJSXYHOFGP-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000575848259 491564756 /nfs/dbraw/zinc/56/47/56/491564756.db2.gz IZPCIECNRQGXIP-CQSZACIVSA-N 2 2 356.430 0.675 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000575898677 491568933 /nfs/dbraw/zinc/56/89/33/491568933.db2.gz YFBMXCLGVFHMTQ-MSOLQXFVSA-N 2 2 362.474 0.565 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000575898677 491568936 /nfs/dbraw/zinc/56/89/36/491568936.db2.gz YFBMXCLGVFHMTQ-MSOLQXFVSA-N 2 2 362.474 0.565 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])([NH+]2CCOCC2)C1 ZINC000575916708 491569605 /nfs/dbraw/zinc/56/96/05/491569605.db2.gz ZQXINOMBIDYCIT-GARNVTTQSA-N 2 2 354.495 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000568375435 491572835 /nfs/dbraw/zinc/57/28/35/491572835.db2.gz MRNAHBVYXSFOES-UHFFFAOYSA-N 2 2 368.547 0.628 20 0 FCADLP C[C@H](CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)C[NH+](C)C ZINC000561093989 491574208 /nfs/dbraw/zinc/57/42/08/491574208.db2.gz BZCNKFQKSWRHEZ-CQSZACIVSA-N 2 2 355.504 0.949 20 0 FCADLP Cn1nccc1[C@H]1[C@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)CC(=O)N1C1CC1 ZINC000576041235 491578062 /nfs/dbraw/zinc/57/80/62/491578062.db2.gz ZRDPHFYPOJIYHM-IAQYHMDHSA-N 2 2 359.434 0.591 20 0 FCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000576058227 491579470 /nfs/dbraw/zinc/57/94/70/491579470.db2.gz DEAIDZNWVOGOOH-SMDDNHRTSA-N 2 2 351.476 0.792 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000561180780 491580772 /nfs/dbraw/zinc/58/07/72/491580772.db2.gz DCDYBORZZXLPCG-INIZCTEOSA-N 2 2 365.522 0.701 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668426601 493352131 /nfs/dbraw/zinc/35/21/31/493352131.db2.gz RLBWQHFJSJEXSL-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561198547 491582880 /nfs/dbraw/zinc/58/28/80/491582880.db2.gz UIEYXHZPXOGLPJ-RDJZCZTQSA-N 2 2 361.490 0.833 20 0 FCADLP C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561198547 491582883 /nfs/dbraw/zinc/58/28/83/491582883.db2.gz UIEYXHZPXOGLPJ-RDJZCZTQSA-N 2 2 361.490 0.833 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000561224294 491586231 /nfs/dbraw/zinc/58/62/31/491586231.db2.gz SFKOGAXAYREVFW-TUUVXOQKSA-N 2 2 352.458 0.759 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000561224294 491586234 /nfs/dbraw/zinc/58/62/34/491586234.db2.gz SFKOGAXAYREVFW-TUUVXOQKSA-N 2 2 352.458 0.759 20 0 FCADLP CN(CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000577066538 491586432 /nfs/dbraw/zinc/58/64/32/491586432.db2.gz VQAIGDHMMAKIDP-HUUCEWRRSA-N 2 2 370.457 0.479 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000584399761 491586684 /nfs/dbraw/zinc/58/66/84/491586684.db2.gz QJEKAQDECWWHPO-JKSUJKDBSA-N 2 2 361.494 0.510 20 0 FCADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCCC1 ZINC000568608640 491591051 /nfs/dbraw/zinc/59/10/51/491591051.db2.gz QPNWIADBYUMAFG-UHFFFAOYSA-N 2 2 365.522 0.892 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000668429837 493353574 /nfs/dbraw/zinc/35/35/74/493353574.db2.gz RYDOMCIZBJPLSU-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000668429837 493353578 /nfs/dbraw/zinc/35/35/78/493353578.db2.gz RYDOMCIZBJPLSU-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC000584466840 491594116 /nfs/dbraw/zinc/59/41/16/491594116.db2.gz NBSCUEZALHQWSD-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC000584466840 491594119 /nfs/dbraw/zinc/59/41/19/491594119.db2.gz NBSCUEZALHQWSD-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP [NH3+]CCn1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)nn1 ZINC000577192177 491600329 /nfs/dbraw/zinc/60/03/29/491600329.db2.gz JVXUBQDGYRCEFE-UHFFFAOYSA-N 2 2 355.402 0.786 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000584540782 491602104 /nfs/dbraw/zinc/60/21/04/491602104.db2.gz KSYHNEWOLNGPPY-QZTJIDSGSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000584540782 491602109 /nfs/dbraw/zinc/60/21/09/491602109.db2.gz KSYHNEWOLNGPPY-QZTJIDSGSA-N 2 2 374.485 0.472 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000561366998 491602360 /nfs/dbraw/zinc/60/23/60/491602360.db2.gz ASSOFQYBLVZTFA-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)[C@H](C[NH3+])C1 ZINC000568728171 491603551 /nfs/dbraw/zinc/60/35/51/491603551.db2.gz BIXMKSUDWATEDH-CYBMUJFWSA-N 2 2 374.424 0.785 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)[C@H](C[NH3+])C1 ZINC000568728171 491603553 /nfs/dbraw/zinc/60/35/53/491603553.db2.gz BIXMKSUDWATEDH-CYBMUJFWSA-N 2 2 374.424 0.785 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000576367896 491608450 /nfs/dbraw/zinc/60/84/50/491608450.db2.gz VBJAMRWJJQXEDN-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000576367896 491608453 /nfs/dbraw/zinc/60/84/53/491608453.db2.gz VBJAMRWJJQXEDN-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000576374060 491609168 /nfs/dbraw/zinc/60/91/68/491609168.db2.gz YYAVTDNVPJZOSD-MRXNPFEDSA-N 2 2 353.511 0.713 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000576386725 491610088 /nfs/dbraw/zinc/61/00/88/491610088.db2.gz SXNSQNYZAWHAKC-YOEHRIQHSA-N 2 2 353.488 0.795 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000568791207 491610313 /nfs/dbraw/zinc/61/03/13/491610313.db2.gz HVBHIQBNYKWXOJ-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2=O)c1 ZINC000577389183 491618104 /nfs/dbraw/zinc/61/81/04/491618104.db2.gz UBOVYQFAZBGSPG-COXVUDFISA-N 2 2 374.441 0.053 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2=O)c1 ZINC000577389183 491618106 /nfs/dbraw/zinc/61/81/06/491618106.db2.gz UBOVYQFAZBGSPG-COXVUDFISA-N 2 2 374.441 0.053 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000568996633 491625424 /nfs/dbraw/zinc/62/54/24/491625424.db2.gz MKKYWYBYPWOLCF-INIZCTEOSA-N 2 2 353.463 0.721 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000568996633 491625426 /nfs/dbraw/zinc/62/54/26/491625426.db2.gz MKKYWYBYPWOLCF-INIZCTEOSA-N 2 2 353.463 0.721 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000561770024 491629708 /nfs/dbraw/zinc/62/97/08/491629708.db2.gz PHISYNMIDHJBOT-ZDUSSCGKSA-N 2 2 362.455 0.984 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000576612612 491629978 /nfs/dbraw/zinc/62/99/78/491629978.db2.gz HBRYNVYLFHDAEM-AWEZNQCLSA-N 2 2 359.405 0.825 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000561796410 491631337 /nfs/dbraw/zinc/63/13/37/491631337.db2.gz AYULZSGOOLXUDR-HNNXBMFYSA-N 2 2 373.432 0.831 20 0 FCADLP CO[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H](C[NH3+])C1 ZINC000576640782 491632248 /nfs/dbraw/zinc/63/22/48/491632248.db2.gz WEEWFLPQGSCNCC-DLBZAZTESA-N 2 2 366.531 0.830 20 0 FCADLP Cn1ncc2c1nc(N)[nH+]c2NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000576647325 491632838 /nfs/dbraw/zinc/63/28/38/491632838.db2.gz DRPGSDVFYLNMKJ-UHFFFAOYSA-N 2 2 368.449 0.360 20 0 FCADLP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000577602848 491635028 /nfs/dbraw/zinc/63/50/28/491635028.db2.gz QCTIRHSGOZEFTN-IBGZPJMESA-N 2 2 360.502 0.900 20 0 FCADLP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000577602848 491635031 /nfs/dbraw/zinc/63/50/31/491635031.db2.gz QCTIRHSGOZEFTN-IBGZPJMESA-N 2 2 360.502 0.900 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000577606418 491635781 /nfs/dbraw/zinc/63/57/81/491635781.db2.gz HZAGAXXLMBPKGS-ZBFHGGJFSA-N 2 2 351.495 0.452 20 0 FCADLP CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000569136531 491636760 /nfs/dbraw/zinc/63/67/60/491636760.db2.gz MTCQPCOSXMSTHG-AWEZNQCLSA-N 2 2 363.462 0.722 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000576730343 491640629 /nfs/dbraw/zinc/64/06/29/491640629.db2.gz XLUGMTOIDRXHIJ-INIZCTEOSA-N 2 2 365.522 0.986 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[NH+]1CCOCC1 ZINC000577697645 491643840 /nfs/dbraw/zinc/64/38/40/491643840.db2.gz IOZFASZHXBOZQW-USXIJHARSA-N 2 2 351.491 0.761 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000577724928 491645949 /nfs/dbraw/zinc/64/59/49/491645949.db2.gz OZPXRHXLJTWFAV-IRXDYDNUSA-N 2 2 363.506 0.182 20 0 FCADLP C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000576813245 491647152 /nfs/dbraw/zinc/64/71/52/491647152.db2.gz GNADGLQXBOYKMM-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000576813245 491647155 /nfs/dbraw/zinc/64/71/55/491647155.db2.gz GNADGLQXBOYKMM-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000576904169 491655647 /nfs/dbraw/zinc/65/56/47/491655647.db2.gz NQROHNYZFGFADC-KRWDZBQOSA-N 2 2 368.522 0.261 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000576904169 491655650 /nfs/dbraw/zinc/65/56/50/491655650.db2.gz NQROHNYZFGFADC-KRWDZBQOSA-N 2 2 368.522 0.261 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000562156076 491656189 /nfs/dbraw/zinc/65/61/89/491656189.db2.gz HLIQNAZXYBMYFZ-QGZVFWFLSA-N 2 2 353.426 0.795 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000562156076 491656191 /nfs/dbraw/zinc/65/61/91/491656191.db2.gz HLIQNAZXYBMYFZ-QGZVFWFLSA-N 2 2 353.426 0.795 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000577851355 491656589 /nfs/dbraw/zinc/65/65/89/491656589.db2.gz YLOCSPGMBFVQLO-DYVFJYSZSA-N 2 2 364.471 0.837 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000562192562 491658382 /nfs/dbraw/zinc/65/83/82/491658382.db2.gz MITJXEGXYUAIDT-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000562192562 491658387 /nfs/dbraw/zinc/65/83/87/491658387.db2.gz MITJXEGXYUAIDT-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000562192562 491658390 /nfs/dbraw/zinc/65/83/90/491658390.db2.gz MITJXEGXYUAIDT-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000562192562 491658392 /nfs/dbraw/zinc/65/83/92/491658392.db2.gz MITJXEGXYUAIDT-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP CNC(=O)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673706422 493359214 /nfs/dbraw/zinc/35/92/14/493359214.db2.gz GDLBRTCWTRSIPQ-INIZCTEOSA-N 2 2 365.522 0.713 20 0 FCADLP CNC(=O)CC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673706422 493359216 /nfs/dbraw/zinc/35/92/16/493359216.db2.gz GDLBRTCWTRSIPQ-INIZCTEOSA-N 2 2 365.522 0.713 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000562291707 491664797 /nfs/dbraw/zinc/66/47/97/491664797.db2.gz QNZFUTQUXVBQTF-UHFFFAOYSA-N 2 2 363.506 0.905 20 0 FCADLP Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000578013629 491668037 /nfs/dbraw/zinc/66/80/37/491668037.db2.gz WERRXUVCDDZXSD-SFHVURJKSA-N 2 2 360.502 0.812 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578248080 491673144 /nfs/dbraw/zinc/67/31/44/491673144.db2.gz TZYOQTSTLGKVFC-MSOLQXFVSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578248080 491673145 /nfs/dbraw/zinc/67/31/45/491673145.db2.gz TZYOQTSTLGKVFC-MSOLQXFVSA-N 2 2 374.485 0.472 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)C[C@H](C)O1 ZINC000578435400 491677121 /nfs/dbraw/zinc/67/71/21/491677121.db2.gz AQCTZMUOCBSWSR-VBQJREDUSA-N 2 2 368.499 0.576 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)C[C@H](C)O1 ZINC000578435400 491677122 /nfs/dbraw/zinc/67/71/22/491677122.db2.gz AQCTZMUOCBSWSR-VBQJREDUSA-N 2 2 368.499 0.576 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000578655555 491681774 /nfs/dbraw/zinc/68/17/74/491681774.db2.gz KUMXFHZHBNWHGS-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@H]3C[NH2+]CCO3)c2)CC1 ZINC000578986049 491688309 /nfs/dbraw/zinc/68/83/09/491688309.db2.gz NJAQEZWDZINFPQ-SFHVURJKSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C[C@@]1(C)C[NH3+] ZINC000579099327 491690801 /nfs/dbraw/zinc/69/08/01/491690801.db2.gz YQNJMHHSRJVLET-LDDOYCOJSA-N 2 2 366.485 0.959 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000579110568 491691177 /nfs/dbraw/zinc/69/11/77/491691177.db2.gz BPRJSEWBTGDIRD-GXTWGEPZSA-N 2 2 367.471 0.685 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000579110568 491691178 /nfs/dbraw/zinc/69/11/78/491691178.db2.gz BPRJSEWBTGDIRD-GXTWGEPZSA-N 2 2 367.471 0.685 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000579148667 491692103 /nfs/dbraw/zinc/69/21/03/491692103.db2.gz ZCEOJZOTCVZFQV-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000579148667 491692104 /nfs/dbraw/zinc/69/21/04/491692104.db2.gz ZCEOJZOTCVZFQV-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000579148667 491692105 /nfs/dbraw/zinc/69/21/05/491692105.db2.gz ZCEOJZOTCVZFQV-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000579148667 491692106 /nfs/dbraw/zinc/69/21/06/491692106.db2.gz ZCEOJZOTCVZFQV-LJQANCHMSA-N 2 2 372.513 0.960 20 0 FCADLP COc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCCO ZINC000579456351 491698088 /nfs/dbraw/zinc/69/80/88/491698088.db2.gz MWOCYWPWBCKQRK-UXLLHSPISA-N 2 2 368.474 0.626 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)C1 ZINC000579548138 491700301 /nfs/dbraw/zinc/70/03/01/491700301.db2.gz RZGADGUXCNUZCW-SFHVURJKSA-N 2 2 362.478 0.775 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)C1 ZINC000579548138 491700302 /nfs/dbraw/zinc/70/03/02/491700302.db2.gz RZGADGUXCNUZCW-SFHVURJKSA-N 2 2 362.478 0.775 20 0 FCADLP O=C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000579701196 491703118 /nfs/dbraw/zinc/70/31/18/491703118.db2.gz LJBXSXKLNYLPOK-UYAOXDASSA-N 2 2 358.486 0.692 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)C[C@H](C)O1 ZINC000579700572 491703131 /nfs/dbraw/zinc/70/31/31/491703131.db2.gz DDRBOWJJOGDXKJ-SOLBZPMBSA-N 2 2 364.490 0.478 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)C[C@H](C)O1 ZINC000579700572 491703132 /nfs/dbraw/zinc/70/31/32/491703132.db2.gz DDRBOWJJOGDXKJ-SOLBZPMBSA-N 2 2 364.490 0.478 20 0 FCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000579833745 491706396 /nfs/dbraw/zinc/70/63/96/491706396.db2.gz GJGMKAFZQNVJIK-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000579833745 491706397 /nfs/dbraw/zinc/70/63/97/491706397.db2.gz GJGMKAFZQNVJIK-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000579930350 491709333 /nfs/dbraw/zinc/70/93/33/491709333.db2.gz UIZPSCNMWGAYFR-UHFFFAOYSA-N 2 2 365.478 0.708 20 0 FCADLP COCCOC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000579948226 491710365 /nfs/dbraw/zinc/71/03/65/491710365.db2.gz VTBMHUPBIWFDOV-ULQDDVLXSA-N 2 2 360.495 0.258 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000584823853 491716118 /nfs/dbraw/zinc/71/61/18/491716118.db2.gz ORRBLVMLRXLZRH-NSHGMRRFSA-N 2 2 359.470 0.603 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000584823853 491716119 /nfs/dbraw/zinc/71/61/19/491716119.db2.gz ORRBLVMLRXLZRH-NSHGMRRFSA-N 2 2 359.470 0.603 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000584823853 491716120 /nfs/dbraw/zinc/71/61/20/491716120.db2.gz ORRBLVMLRXLZRH-NSHGMRRFSA-N 2 2 359.470 0.603 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000584823853 491716121 /nfs/dbraw/zinc/71/61/21/491716121.db2.gz ORRBLVMLRXLZRH-NSHGMRRFSA-N 2 2 359.470 0.603 20 0 FCADLP COc1ccc([C@H](CO)C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000580074072 491716217 /nfs/dbraw/zinc/71/62/17/491716217.db2.gz CIISZVNZPNZLQX-MVJTYMMSSA-N 2 2 352.475 0.831 20 0 FCADLP COc1ccc([C@H](CO)C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000580074072 491716218 /nfs/dbraw/zinc/71/62/18/491716218.db2.gz CIISZVNZPNZLQX-MVJTYMMSSA-N 2 2 352.475 0.831 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580196713 491721224 /nfs/dbraw/zinc/72/12/24/491721224.db2.gz ZLLWSFMOMKAXTM-ZMSDIMECSA-N 2 2 362.474 0.246 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580196713 491721226 /nfs/dbraw/zinc/72/12/26/491721226.db2.gz ZLLWSFMOMKAXTM-ZMSDIMECSA-N 2 2 362.474 0.246 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)O1 ZINC000580515557 491734239 /nfs/dbraw/zinc/73/42/39/491734239.db2.gz RNQPOVNZQGHNPE-BZUAXINKSA-N 2 2 368.503 0.689 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000580585392 491737280 /nfs/dbraw/zinc/73/72/80/491737280.db2.gz MLHQTWOCFSFAQD-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000580585392 491737281 /nfs/dbraw/zinc/73/72/81/491737281.db2.gz MLHQTWOCFSFAQD-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CSCC[C@H](C)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236846 491742874 /nfs/dbraw/zinc/74/28/74/491742874.db2.gz OMCGQARIGLYXDK-GJZGRUSLSA-N 2 2 370.563 0.871 20 0 FCADLP CSCC[C@H](C)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236846 491742875 /nfs/dbraw/zinc/74/28/75/491742875.db2.gz OMCGQARIGLYXDK-GJZGRUSLSA-N 2 2 370.563 0.871 20 0 FCADLP CCSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236864 491743227 /nfs/dbraw/zinc/74/32/27/491743227.db2.gz RQRSZKGACHCFNX-LSDHHAIUSA-N 2 2 370.563 0.919 20 0 FCADLP CCSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236864 491743229 /nfs/dbraw/zinc/74/32/29/491743229.db2.gz RQRSZKGACHCFNX-LSDHHAIUSA-N 2 2 370.563 0.919 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000580784759 491745773 /nfs/dbraw/zinc/74/57/73/491745773.db2.gz AKZOVQJEQIQHTE-UHFFFAOYSA-N 2 2 373.460 0.050 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](O)CN3CCOCC3)c2cc1C ZINC000580952566 491753141 /nfs/dbraw/zinc/75/31/41/491753141.db2.gz LHNBCYJPCHUPIA-SJORKVTESA-N 2 2 362.474 0.297 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])N2CCOCC2)o1 ZINC000581001060 491754796 /nfs/dbraw/zinc/75/47/96/491754796.db2.gz YVQUNVBYJLQSAS-HZPDHXFCSA-N 2 2 365.478 0.246 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])N2CCOCC2)o1 ZINC000581001060 491754798 /nfs/dbraw/zinc/75/47/98/491754798.db2.gz YVQUNVBYJLQSAS-HZPDHXFCSA-N 2 2 365.478 0.246 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CCC2 ZINC000581154933 491761759 /nfs/dbraw/zinc/76/17/59/491761759.db2.gz PFVSBPMKAGCREM-HZPDHXFCSA-N 2 2 359.474 0.882 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000581199455 491763600 /nfs/dbraw/zinc/76/36/00/491763600.db2.gz IMKFOFLJRMNWPH-HNNXBMFYSA-N 2 2 361.490 0.895 20 0 FCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581248597 491765664 /nfs/dbraw/zinc/76/56/64/491765664.db2.gz JRZAJRDBSYMQFO-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000581551808 491777539 /nfs/dbraw/zinc/77/75/39/491777539.db2.gz ZWKBPHJDLDDUQW-IHPCNDPISA-N 2 2 374.529 0.546 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000590869279 491787965 /nfs/dbraw/zinc/78/79/65/491787965.db2.gz ODYADJOHZWDAJS-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000590869279 491787967 /nfs/dbraw/zinc/78/79/67/491787967.db2.gz ODYADJOHZWDAJS-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000581940534 491790903 /nfs/dbraw/zinc/79/09/03/491790903.db2.gz OWGJIKNLHINZMB-GOSISDBHSA-N 2 2 360.502 0.959 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000582016067 491794558 /nfs/dbraw/zinc/79/45/58/491794558.db2.gz DBJQZAZWMODYQF-OAHLLOKOSA-N 2 2 358.446 0.840 20 0 FCADLP COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000582073709 491797086 /nfs/dbraw/zinc/79/70/86/491797086.db2.gz NDFGKNGNDFWHQW-UHFFFAOYSA-N 2 2 352.460 0.943 20 0 FCADLP CC[NH+](CC)CCS(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000582091529 491797713 /nfs/dbraw/zinc/79/77/13/491797713.db2.gz XGEJUJGYOVWICU-UHFFFAOYSA-N 2 2 370.523 0.336 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[N@H+](C)C1 ZINC000591168192 491797859 /nfs/dbraw/zinc/79/78/59/491797859.db2.gz KMAVUKYRDGVDOA-HNNXBMFYSA-N 2 2 373.457 0.931 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[N@@H+](C)C1 ZINC000591168192 491797861 /nfs/dbraw/zinc/79/78/61/491797861.db2.gz KMAVUKYRDGVDOA-HNNXBMFYSA-N 2 2 373.457 0.931 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+](C)C1 ZINC000591175312 491798145 /nfs/dbraw/zinc/79/81/45/491798145.db2.gz XUJDRPRGMFWZJK-NVXWUHKLSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+](C)C1 ZINC000591175312 491798146 /nfs/dbraw/zinc/79/81/46/491798146.db2.gz XUJDRPRGMFWZJK-NVXWUHKLSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175312 491798148 /nfs/dbraw/zinc/79/81/48/491798148.db2.gz XUJDRPRGMFWZJK-NVXWUHKLSA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175312 491798150 /nfs/dbraw/zinc/79/81/50/491798150.db2.gz XUJDRPRGMFWZJK-NVXWUHKLSA-N 2 2 360.458 0.919 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@@H](C[NH3+])C1 ZINC000582290174 491805857 /nfs/dbraw/zinc/80/58/57/491805857.db2.gz PAUTVJFOOSYHSM-ZDUSSCGKSA-N 2 2 374.411 1.187 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@@H](C[NH3+])C1 ZINC000582290174 491805858 /nfs/dbraw/zinc/80/58/58/491805858.db2.gz PAUTVJFOOSYHSM-ZDUSSCGKSA-N 2 2 374.411 1.187 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000582298876 491806419 /nfs/dbraw/zinc/80/64/19/491806419.db2.gz IBLCNHKQZORBBL-QFBILLFUSA-N 2 2 358.490 0.495 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000582434560 491812537 /nfs/dbraw/zinc/81/25/37/491812537.db2.gz BJUKKUBNJBVNLR-BBWFWOEESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000582434560 491812539 /nfs/dbraw/zinc/81/25/39/491812539.db2.gz BJUKKUBNJBVNLR-BBWFWOEESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000582434560 491812541 /nfs/dbraw/zinc/81/25/41/491812541.db2.gz BJUKKUBNJBVNLR-BBWFWOEESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000582434560 491812543 /nfs/dbraw/zinc/81/25/43/491812543.db2.gz BJUKKUBNJBVNLR-BBWFWOEESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H](C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000582496110 491815220 /nfs/dbraw/zinc/81/52/20/491815220.db2.gz FPITXPVHKOYJCB-IBGZPJMESA-N 2 2 374.529 0.983 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000582782621 491826582 /nfs/dbraw/zinc/82/65/82/491826582.db2.gz GGKSAFDILMHBLF-ZWKOTPCHSA-N 2 2 374.485 0.353 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CCN2C1=O ZINC000582856213 491829632 /nfs/dbraw/zinc/82/96/32/491829632.db2.gz FKVBNCPPAAKTFS-DLBZAZTESA-N 2 2 368.441 0.385 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCO1 ZINC000583000627 491835778 /nfs/dbraw/zinc/83/57/78/491835778.db2.gz JDSQABQESXCYLH-KRWDZBQOSA-N 2 2 355.527 0.424 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)CCO1 ZINC000583000627 491835779 /nfs/dbraw/zinc/83/57/79/491835779.db2.gz JDSQABQESXCYLH-KRWDZBQOSA-N 2 2 355.527 0.424 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000583024561 491836700 /nfs/dbraw/zinc/83/67/00/491836700.db2.gz DDELEPGCXJSTKA-FVRSWCFKSA-N 2 2 365.478 0.040 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000583024561 491836701 /nfs/dbraw/zinc/83/67/01/491836701.db2.gz DDELEPGCXJSTKA-FVRSWCFKSA-N 2 2 365.478 0.040 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839247 493366060 /nfs/dbraw/zinc/36/60/60/493366060.db2.gz WXEWVFKXEOJMHA-RDJZCZTQSA-N 2 2 358.490 0.730 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839247 493366062 /nfs/dbraw/zinc/36/60/62/493366062.db2.gz WXEWVFKXEOJMHA-RDJZCZTQSA-N 2 2 358.490 0.730 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H]3CC[NH2+]C[C@@H]3C1)C2 ZINC000583257122 491841012 /nfs/dbraw/zinc/84/10/12/491841012.db2.gz IKSYSFIZTXAIIF-UONOGXRCSA-N 2 2 359.474 0.496 20 0 FCADLP Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000583302206 491841932 /nfs/dbraw/zinc/84/19/32/491841932.db2.gz IELBZONLEDMOES-MRXNPFEDSA-N 2 2 359.474 0.957 20 0 FCADLP Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000583302206 491841933 /nfs/dbraw/zinc/84/19/33/491841933.db2.gz IELBZONLEDMOES-MRXNPFEDSA-N 2 2 359.474 0.957 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668502787 493366143 /nfs/dbraw/zinc/36/61/43/493366143.db2.gz HQIAIINKWKTQLV-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000583376303 491843657 /nfs/dbraw/zinc/84/36/57/491843657.db2.gz HNVJNFLRCQKKBE-QLFBSQMISA-N 2 2 353.438 0.615 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000583376303 491843658 /nfs/dbraw/zinc/84/36/58/491843658.db2.gz HNVJNFLRCQKKBE-QLFBSQMISA-N 2 2 353.438 0.615 20 0 FCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583434832 491844688 /nfs/dbraw/zinc/84/46/88/491844688.db2.gz FOSLYHGFMZZIAZ-OAHLLOKOSA-N 2 2 359.474 0.767 20 0 FCADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000583489021 491846029 /nfs/dbraw/zinc/84/60/29/491846029.db2.gz HIUNBFQSQVHULP-UONOGXRCSA-N 2 2 354.476 0.409 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC000583984507 491855936 /nfs/dbraw/zinc/85/59/36/491855936.db2.gz SOTMDRNBZUUILC-DOTOQJQBSA-N 2 2 373.432 0.872 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000584002011 491856413 /nfs/dbraw/zinc/85/64/13/491856413.db2.gz IUOKWEOUCHVYBB-HEHGZKQESA-N 2 2 350.438 0.931 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000584002011 491856414 /nfs/dbraw/zinc/85/64/14/491856414.db2.gz IUOKWEOUCHVYBB-HEHGZKQESA-N 2 2 350.438 0.931 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000584191872 491860466 /nfs/dbraw/zinc/86/04/66/491860466.db2.gz GLHJXVQZWMIVKR-UHFFFAOYSA-N 2 2 370.538 0.839 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000584191872 491860467 /nfs/dbraw/zinc/86/04/67/491860467.db2.gz GLHJXVQZWMIVKR-UHFFFAOYSA-N 2 2 370.538 0.839 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000584246428 491861444 /nfs/dbraw/zinc/86/14/44/491861444.db2.gz QCLIGQQUPUBPHK-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000584246428 491861445 /nfs/dbraw/zinc/86/14/45/491861445.db2.gz QCLIGQQUPUBPHK-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651609 491865830 /nfs/dbraw/zinc/86/58/30/491865830.db2.gz WPVGMVJOVCKXSO-WMLDXEAASA-N 2 2 371.485 0.897 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651609 491865832 /nfs/dbraw/zinc/86/58/32/491865832.db2.gz WPVGMVJOVCKXSO-WMLDXEAASA-N 2 2 371.485 0.897 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000611973031 491886936 /nfs/dbraw/zinc/88/69/36/491886936.db2.gz GFLQLIWEUMDAIH-FQEVSTJZSA-N 2 2 358.486 0.587 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000600979090 491891352 /nfs/dbraw/zinc/89/13/52/491891352.db2.gz JGVMLXJXGBQQDP-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000600979090 491891355 /nfs/dbraw/zinc/89/13/55/491891355.db2.gz JGVMLXJXGBQQDP-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(F)(F)F ZINC000612463966 491921016 /nfs/dbraw/zinc/92/10/16/491921016.db2.gz KJRRJOSBBFGTES-UTUOFQBUSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000612463966 491921017 /nfs/dbraw/zinc/92/10/17/491921017.db2.gz KJRRJOSBBFGTES-UTUOFQBUSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000612463966 491921020 /nfs/dbraw/zinc/92/10/20/491921020.db2.gz KJRRJOSBBFGTES-UTUOFQBUSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(F)(F)F ZINC000612463966 491921022 /nfs/dbraw/zinc/92/10/22/491921022.db2.gz KJRRJOSBBFGTES-UTUOFQBUSA-N 2 2 350.385 0.338 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3coc(S(N)(=O)=O)c3)C2)CC1 ZINC000595337821 491922019 /nfs/dbraw/zinc/92/20/19/491922019.db2.gz LMPXSDFFLLTUKP-HNNXBMFYSA-N 2 2 356.492 0.527 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3coc(S(N)(=O)=O)c3)C2)CC1 ZINC000595337821 491922020 /nfs/dbraw/zinc/92/20/20/491922020.db2.gz LMPXSDFFLLTUKP-HNNXBMFYSA-N 2 2 356.492 0.527 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472932 491925141 /nfs/dbraw/zinc/92/51/41/491925141.db2.gz AJSULZAVEYCUBU-DZGCQCFKSA-N 2 2 350.463 0.151 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472932 491925144 /nfs/dbraw/zinc/92/51/44/491925144.db2.gz AJSULZAVEYCUBU-DZGCQCFKSA-N 2 2 350.463 0.151 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000612489692 491925505 /nfs/dbraw/zinc/92/55/05/491925505.db2.gz YCTISLNGVHUCCX-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471864 491934759 /nfs/dbraw/zinc/93/47/59/491934759.db2.gz FQPWJFRCZLTUHY-JKSUJKDBSA-N 2 2 353.463 0.337 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471864 491934761 /nfs/dbraw/zinc/93/47/61/491934761.db2.gz FQPWJFRCZLTUHY-JKSUJKDBSA-N 2 2 353.463 0.337 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1)N1CCCC1 ZINC000612906651 491958265 /nfs/dbraw/zinc/95/82/65/491958265.db2.gz UKRCKXYBVXFLBU-IAGOWNOFSA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1)N1CCCC1 ZINC000612906651 491958266 /nfs/dbraw/zinc/95/82/66/491958266.db2.gz UKRCKXYBVXFLBU-IAGOWNOFSA-N 2 2 363.506 0.563 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204448 491967922 /nfs/dbraw/zinc/96/79/22/491967922.db2.gz IHACTVNQQBBCJK-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204448 491967923 /nfs/dbraw/zinc/96/79/23/491967923.db2.gz IHACTVNQQBBCJK-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[N@H+](C)C1 ZINC000596273430 491982070 /nfs/dbraw/zinc/98/20/70/491982070.db2.gz QFKUFJMBZBZKFB-AWEZNQCLSA-N 2 2 363.462 0.369 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000596273430 491982072 /nfs/dbraw/zinc/98/20/72/491982072.db2.gz QFKUFJMBZBZKFB-AWEZNQCLSA-N 2 2 363.462 0.369 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613552362 491985815 /nfs/dbraw/zinc/98/58/15/491985815.db2.gz FDZLDAQLCHHRMQ-GMTAPVOTSA-N 2 2 370.375 0.698 20 0 FCADLP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)C1 ZINC000613555649 491986360 /nfs/dbraw/zinc/98/63/60/491986360.db2.gz RKMOFDZTSFYEHI-KBAYOESNSA-N 2 2 362.518 0.635 20 0 FCADLP COC(=O)c1cnc(C2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)s1 ZINC000602541748 491992644 /nfs/dbraw/zinc/99/26/44/491992644.db2.gz NOAGJKKLJYGZPS-LBPRGKRZSA-N 2 2 354.476 0.915 20 0 FCADLP COC(=O)c1ccn(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602931994 492005833 /nfs/dbraw/zinc/00/58/33/492005833.db2.gz MDNYOMSDCYKUGE-OAHLLOKOSA-N 2 2 363.462 0.297 20 0 FCADLP COC(=O)c1ccn(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602931994 492005835 /nfs/dbraw/zinc/00/58/35/492005835.db2.gz MDNYOMSDCYKUGE-OAHLLOKOSA-N 2 2 363.462 0.297 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215718 492022732 /nfs/dbraw/zinc/02/27/32/492022732.db2.gz MJNOFHFQVRWOCN-GDBMZVCRSA-N 2 2 353.463 0.430 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215718 492022734 /nfs/dbraw/zinc/02/27/34/492022734.db2.gz MJNOFHFQVRWOCN-GDBMZVCRSA-N 2 2 353.463 0.430 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2ccnc2)nn1 ZINC000603299656 492025137 /nfs/dbraw/zinc/02/51/37/492025137.db2.gz BTIKPGSBRNELTG-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2ccnc2)nn1 ZINC000603299656 492025139 /nfs/dbraw/zinc/02/51/39/492025139.db2.gz BTIKPGSBRNELTG-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603299656 492025141 /nfs/dbraw/zinc/02/51/41/492025141.db2.gz BTIKPGSBRNELTG-UHFFFAOYSA-N 3 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603299656 492025144 /nfs/dbraw/zinc/02/51/44/492025144.db2.gz BTIKPGSBRNELTG-UHFFFAOYSA-N 3 2 357.462 0.760 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604180374 492053301 /nfs/dbraw/zinc/05/33/01/492053301.db2.gz IBPKLIHUVAHXQR-PBHICJAKSA-N 2 2 354.520 0.730 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604180374 492053303 /nfs/dbraw/zinc/05/33/03/492053303.db2.gz IBPKLIHUVAHXQR-PBHICJAKSA-N 2 2 354.520 0.730 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCN3CCCCC3=O)C2)CC1 ZINC000604194304 492053564 /nfs/dbraw/zinc/05/35/64/492053564.db2.gz HPPUGAUERKEFAI-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCN3CCCCC3=O)C2)CC1 ZINC000604194304 492053566 /nfs/dbraw/zinc/05/35/66/492053566.db2.gz HPPUGAUERKEFAI-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(=O)NC3CCCC3)C2)CC1 ZINC000604186069 492053664 /nfs/dbraw/zinc/05/36/64/492053664.db2.gz HQTIVCHWYZENCG-OAHLLOKOSA-N 2 2 351.495 0.513 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(=O)NC3CCCC3)C2)CC1 ZINC000604186069 492053667 /nfs/dbraw/zinc/05/36/67/492053667.db2.gz HQTIVCHWYZENCG-OAHLLOKOSA-N 2 2 351.495 0.513 20 0 FCADLP Cc1noc(CCCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604190517 492053771 /nfs/dbraw/zinc/05/37/71/492053771.db2.gz FKOQTSPDACJGCP-AWEZNQCLSA-N 2 2 350.467 0.778 20 0 FCADLP Cc1noc(CCCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604190517 492053772 /nfs/dbraw/zinc/05/37/72/492053772.db2.gz FKOQTSPDACJGCP-AWEZNQCLSA-N 2 2 350.467 0.778 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](CO)Cc3ccco3)C2)CC1 ZINC000604209857 492054883 /nfs/dbraw/zinc/05/48/83/492054883.db2.gz SZONGWMDFARGFN-JKSUJKDBSA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](CO)Cc3ccco3)C2)CC1 ZINC000604209857 492054885 /nfs/dbraw/zinc/05/48/85/492054885.db2.gz SZONGWMDFARGFN-JKSUJKDBSA-N 2 2 364.490 0.898 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604633423 492065001 /nfs/dbraw/zinc/06/50/01/492065001.db2.gz KYPRULCZDOXSMS-INIZCTEOSA-N 2 2 372.473 0.540 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604633423 492065003 /nfs/dbraw/zinc/06/50/03/492065003.db2.gz KYPRULCZDOXSMS-INIZCTEOSA-N 2 2 372.473 0.540 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000605985870 492110348 /nfs/dbraw/zinc/11/03/48/492110348.db2.gz RDTTWNJSUJAIHO-UHFFFAOYSA-N 2 2 363.510 0.265 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C[NH+]1CCOCC1 ZINC000606717527 492128365 /nfs/dbraw/zinc/12/83/65/492128365.db2.gz DWJIYYHZYLGHQI-QGZVFWFLSA-N 2 2 361.490 0.877 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2ccccc2-n2cncn2)CN1CC[NH+]1CCOCC1 ZINC000607287479 492143662 /nfs/dbraw/zinc/14/36/62/492143662.db2.gz GHUFCRFCYWBHQX-KRWDZBQOSA-N 2 2 370.457 0.290 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000608693572 492188096 /nfs/dbraw/zinc/18/80/96/492188096.db2.gz SZJDOZKPTJQVLV-GJZGRUSLSA-N 2 2 365.522 0.711 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C[NH+]1CCN(C)CC1 ZINC000608709081 492189034 /nfs/dbraw/zinc/18/90/34/492189034.db2.gz OULCKLJOVGZVLL-KRWDZBQOSA-N 2 2 363.506 0.990 20 0 FCADLP CCC(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571774 492214428 /nfs/dbraw/zinc/21/44/28/492214428.db2.gz JCDNUWOUTLLUKA-HOCLYGCPSA-N 2 2 370.563 0.919 20 0 FCADLP CCC(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571774 492214430 /nfs/dbraw/zinc/21/44/30/492214430.db2.gz JCDNUWOUTLLUKA-HOCLYGCPSA-N 2 2 370.563 0.919 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCN1C(=O)CCC1=O ZINC000618401237 492227857 /nfs/dbraw/zinc/22/78/57/492227857.db2.gz HSCHGLDJUVBIHW-UHFFFAOYSA-N 2 2 352.479 0.400 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCN1C(=O)CCC1=O ZINC000618401237 492227859 /nfs/dbraw/zinc/22/78/59/492227859.db2.gz HSCHGLDJUVBIHW-UHFFFAOYSA-N 2 2 352.479 0.400 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250497 492239402 /nfs/dbraw/zinc/23/94/02/492239402.db2.gz VOYROQJIWKFHPS-MRXNPFEDSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250497 492239403 /nfs/dbraw/zinc/23/94/03/492239403.db2.gz VOYROQJIWKFHPS-MRXNPFEDSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250359 492239409 /nfs/dbraw/zinc/23/94/09/492239409.db2.gz WRJNNMJZHBDXBD-SJLPKXTDSA-N 2 2 360.506 0.626 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250359 492239411 /nfs/dbraw/zinc/23/94/11/492239411.db2.gz WRJNNMJZHBDXBD-SJLPKXTDSA-N 2 2 360.506 0.626 20 0 FCADLP O=C(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)NCC[NH+]1CCOCC1 ZINC000600492403 492274736 /nfs/dbraw/zinc/27/47/36/492274736.db2.gz BHSLJJZEZMWKGW-UHFFFAOYSA-N 2 2 371.441 0.110 20 0 FCADLP CN(C(=O)NCC1([S@](C)=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619672318 492275581 /nfs/dbraw/zinc/27/55/81/492275581.db2.gz HTJTUGDFDNMKON-MYYSRTQBSA-N 2 2 356.536 0.707 20 0 FCADLP CN(C(=O)NCC1([S@](C)=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619672318 492275584 /nfs/dbraw/zinc/27/55/84/492275584.db2.gz HTJTUGDFDNMKON-MYYSRTQBSA-N 2 2 356.536 0.707 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000647510247 492301336 /nfs/dbraw/zinc/30/13/36/492301336.db2.gz HRRRWASHVQCWHA-MRXNPFEDSA-N 2 2 358.486 0.917 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647510251 492301696 /nfs/dbraw/zinc/30/16/96/492301696.db2.gz PLYHLANZBQNHTE-MSOLQXFVSA-N 2 2 358.486 0.917 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627474857 492313120 /nfs/dbraw/zinc/31/31/20/492313120.db2.gz ZBHLYHOQCDODGL-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627474857 492313123 /nfs/dbraw/zinc/31/31/23/492313123.db2.gz ZBHLYHOQCDODGL-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627474854 492313143 /nfs/dbraw/zinc/31/31/43/492313143.db2.gz ZBHLYHOQCDODGL-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627474854 492313145 /nfs/dbraw/zinc/31/31/45/492313145.db2.gz ZBHLYHOQCDODGL-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647567617 492314557 /nfs/dbraw/zinc/31/45/57/492314557.db2.gz ZLBMLNNNBAMUSD-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647567617 492314560 /nfs/dbraw/zinc/31/45/60/492314560.db2.gz ZLBMLNNNBAMUSD-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627477695 492314559 /nfs/dbraw/zinc/31/45/59/492314559.db2.gz ACSPMFJZYMJZQR-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568019 492315204 /nfs/dbraw/zinc/31/52/04/492315204.db2.gz FSPRNNYZBKCXJS-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568019 492315207 /nfs/dbraw/zinc/31/52/07/492315207.db2.gz FSPRNNYZBKCXJS-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CO[C@H]1C[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)N(C(C)=O)C1 ZINC000634193451 492324621 /nfs/dbraw/zinc/32/46/21/492324621.db2.gz IISJYGSXXLYIHJ-JKSUJKDBSA-N 2 2 361.446 0.408 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000654703143 492341560 /nfs/dbraw/zinc/34/15/60/492341560.db2.gz LNOOWAJEWOPFEN-RHSMWYFYSA-N 2 2 362.478 0.867 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731852 492344262 /nfs/dbraw/zinc/34/42/62/492344262.db2.gz NZBVWDXEQPFFAV-IAGOWNOFSA-N 2 2 354.495 0.339 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N(CCO)CC[NH+]1CCOCC1 ZINC000654731852 492344266 /nfs/dbraw/zinc/34/42/66/492344266.db2.gz NZBVWDXEQPFFAV-IAGOWNOFSA-N 2 2 354.495 0.339 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654738298 492345224 /nfs/dbraw/zinc/34/52/24/492345224.db2.gz YKIJEASELFOWCG-QZTJIDSGSA-N 2 2 368.522 0.994 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654738298 492345227 /nfs/dbraw/zinc/34/52/27/492345227.db2.gz YKIJEASELFOWCG-QZTJIDSGSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000647691690 492346037 /nfs/dbraw/zinc/34/60/37/492346037.db2.gz YUIWWPDPUTYRDB-HUUCEWRRSA-N 2 2 351.451 0.366 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000647691690 492346040 /nfs/dbraw/zinc/34/60/40/492346040.db2.gz YUIWWPDPUTYRDB-HUUCEWRRSA-N 2 2 351.451 0.366 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642257111 492346929 /nfs/dbraw/zinc/34/69/29/492346929.db2.gz VGCIJHDSWQPNQI-CQSZACIVSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642257111 492346935 /nfs/dbraw/zinc/34/69/35/492346935.db2.gz VGCIJHDSWQPNQI-CQSZACIVSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642257007 492347138 /nfs/dbraw/zinc/34/71/38/492347138.db2.gz GEPSVUJDWZGYPM-AWEZNQCLSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642257007 492347141 /nfs/dbraw/zinc/34/71/41/492347141.db2.gz GEPSVUJDWZGYPM-AWEZNQCLSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642329994 492351245 /nfs/dbraw/zinc/35/12/45/492351245.db2.gz CVTLXGVWKDYWNM-GDBMZVCRSA-N 2 2 371.416 0.838 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327575 492351356 /nfs/dbraw/zinc/35/13/56/492351356.db2.gz NBOZGZCXCBCCML-XJKSGUPXSA-N 2 2 360.458 0.348 20 0 FCADLP COCC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634642096 492357528 /nfs/dbraw/zinc/35/75/28/492357528.db2.gz FAVSGAFPNIXUPJ-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634642096 492357533 /nfs/dbraw/zinc/35/75/33/492357533.db2.gz FAVSGAFPNIXUPJ-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642519163 492360722 /nfs/dbraw/zinc/36/07/22/492360722.db2.gz UBQXJCUPMSALPC-SJORKVTESA-N 2 2 371.485 0.899 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@H]1[NH3+] ZINC000642519126 492360815 /nfs/dbraw/zinc/36/08/15/492360815.db2.gz FWYWCKYMANNCHO-JKSUJKDBSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257876 492364594 /nfs/dbraw/zinc/36/45/94/492364594.db2.gz OVCDATYBVPXBGH-ZIAGYGMSSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257876 492364599 /nfs/dbraw/zinc/36/45/99/492364599.db2.gz OVCDATYBVPXBGH-ZIAGYGMSSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257876 492364602 /nfs/dbraw/zinc/36/46/02/492364602.db2.gz OVCDATYBVPXBGH-ZIAGYGMSSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257876 492364605 /nfs/dbraw/zinc/36/46/05/492364605.db2.gz OVCDATYBVPXBGH-ZIAGYGMSSA-N 2 2 359.478 0.917 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c12 ZINC000642638924 492367979 /nfs/dbraw/zinc/36/79/79/492367979.db2.gz UTMDXWAFVNAYFD-CABCVRRESA-N 2 2 355.442 0.654 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863917 492373253 /nfs/dbraw/zinc/37/32/53/492373253.db2.gz MYZDPVDLGQQUSE-YGRLFVJLSA-N 2 2 354.838 0.816 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863917 492373256 /nfs/dbraw/zinc/37/32/56/492373256.db2.gz MYZDPVDLGQQUSE-YGRLFVJLSA-N 2 2 354.838 0.816 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3nc[nH+]c4c3OCCN4)CC2)C1 ZINC000647867716 492374501 /nfs/dbraw/zinc/37/45/01/492374501.db2.gz SQGGTGXEJOXKKP-HNNXBMFYSA-N 2 2 362.478 0.512 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nc[nH+]c4c3OCCN4)CC2)C1 ZINC000647867716 492374505 /nfs/dbraw/zinc/37/45/05/492374505.db2.gz SQGGTGXEJOXKKP-HNNXBMFYSA-N 2 2 362.478 0.512 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CCO1 ZINC000647877072 492375296 /nfs/dbraw/zinc/37/52/96/492375296.db2.gz HJIMOMGTNYBNNI-UKRRQHHQSA-N 2 2 369.487 0.210 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938727 492385827 /nfs/dbraw/zinc/38/58/27/492385827.db2.gz STTHCYLNMZXSSI-DZGCQCFKSA-N 2 2 368.503 0.901 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938727 492385833 /nfs/dbraw/zinc/38/58/33/492385833.db2.gz STTHCYLNMZXSSI-DZGCQCFKSA-N 2 2 368.503 0.901 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778874 492389185 /nfs/dbraw/zinc/38/91/85/492389185.db2.gz OLCQPPZKMPVIJO-LSDHHAIUSA-N 2 2 359.474 0.815 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@@H]1O ZINC000647996154 492392126 /nfs/dbraw/zinc/39/21/26/492392126.db2.gz TWHWAAJOAMJCLG-IRXDYDNUSA-N 2 2 357.458 0.942 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000642789158 492392711 /nfs/dbraw/zinc/39/27/11/492392711.db2.gz TXRXLPXTGHCLBC-AAJLLMFJSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000642789158 492392713 /nfs/dbraw/zinc/39/27/13/492392713.db2.gz TXRXLPXTGHCLBC-AAJLLMFJSA-N 2 2 356.470 0.794 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc(C)n1 ZINC000635117494 492395080 /nfs/dbraw/zinc/39/50/80/492395080.db2.gz SJPKBWZSTROFGT-UHFFFAOYSA-N 2 2 362.478 0.516 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc(C)n1 ZINC000635117494 492395083 /nfs/dbraw/zinc/39/50/83/492395083.db2.gz SJPKBWZSTROFGT-UHFFFAOYSA-N 2 2 362.478 0.516 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000642893315 492397319 /nfs/dbraw/zinc/39/73/19/492397319.db2.gz AUDBAVVIGMFQCE-UHFFFAOYSA-N 2 2 350.488 0.508 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621641538 492399308 /nfs/dbraw/zinc/39/93/08/492399308.db2.gz NDZTVDUCMDLLFT-CQSZACIVSA-N 2 2 357.462 0.792 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000642909483 492401825 /nfs/dbraw/zinc/40/18/25/492401825.db2.gz NZQAXZZPJMUICQ-CABCVRRESA-N 2 2 362.474 0.581 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000642909483 492401829 /nfs/dbraw/zinc/40/18/29/492401829.db2.gz NZQAXZZPJMUICQ-CABCVRRESA-N 2 2 362.474 0.581 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919191 492403770 /nfs/dbraw/zinc/40/37/70/492403770.db2.gz RUCZOCLPKIQPCD-UHFFFAOYSA-N 2 2 360.458 0.208 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621700596 492406182 /nfs/dbraw/zinc/40/61/82/492406182.db2.gz RORXIFVAQDXBKL-KDOFPFPSSA-N 2 2 365.499 0.975 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642953533 492406784 /nfs/dbraw/zinc/40/67/84/492406784.db2.gz YMSTZGFMJCINHN-GFCCVEGCSA-N 2 2 372.391 0.813 20 0 FCADLP CC(C)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152468 492408904 /nfs/dbraw/zinc/40/89/04/492408904.db2.gz MBQJPEFDFHSOKJ-QGZVFWFLSA-N 3 2 367.538 0.057 20 0 FCADLP CC[NH+](CC)CCN(C(=O)c1ccc(C[NH3+])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000648149318 492409240 /nfs/dbraw/zinc/40/92/40/492409240.db2.gz NPAWAAIOURXYBH-CYBMUJFWSA-N 2 2 357.476 0.709 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642988411 492411707 /nfs/dbraw/zinc/41/17/07/492411707.db2.gz WINUTCNHSBKQOZ-NVXWUHKLSA-N 3 2 367.538 0.247 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642988411 492411712 /nfs/dbraw/zinc/41/17/12/492411712.db2.gz WINUTCNHSBKQOZ-NVXWUHKLSA-N 3 2 367.538 0.247 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C2 ZINC000621781869 492412250 /nfs/dbraw/zinc/41/22/50/492412250.db2.gz JMTMBPYBEQYGPC-FPOVZHCZSA-N 2 2 372.513 0.948 20 0 FCADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000643082326 492418173 /nfs/dbraw/zinc/41/81/73/492418173.db2.gz SXPVBIKLXZWNQW-CVEARBPZSA-N 2 2 363.458 0.725 20 0 FCADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000643082326 492418176 /nfs/dbraw/zinc/41/81/76/492418176.db2.gz SXPVBIKLXZWNQW-CVEARBPZSA-N 2 2 363.458 0.725 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000621840593 492423000 /nfs/dbraw/zinc/42/30/00/492423000.db2.gz KWERELXOZKDORY-DNVCBOLYSA-N 2 2 357.458 0.638 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)[nH+]c12 ZINC000621840428 492423280 /nfs/dbraw/zinc/42/32/80/492423280.db2.gz ISRNSXSWCBPGQJ-IFXJQAMLSA-N 2 2 355.442 0.641 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000621840594 492423361 /nfs/dbraw/zinc/42/33/61/492423361.db2.gz KWERELXOZKDORY-HNAYVOBHSA-N 2 2 357.458 0.638 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000627931208 492423414 /nfs/dbraw/zinc/42/34/14/492423414.db2.gz JLHUERDNSYFWRX-MHJFOBGBSA-N 2 2 372.513 0.955 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNC(=O)c3ccncc3)CC2)CC1 ZINC000643362401 492439732 /nfs/dbraw/zinc/43/97/32/492439732.db2.gz MLBIJTUHDQEHBP-UHFFFAOYSA-N 2 2 373.501 0.830 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNC(=O)c3ccncc3)CC2)CC1 ZINC000643362401 492439733 /nfs/dbraw/zinc/43/97/33/492439733.db2.gz MLBIJTUHDQEHBP-UHFFFAOYSA-N 2 2 373.501 0.830 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000622025642 492442081 /nfs/dbraw/zinc/44/20/81/492442081.db2.gz VIEDOVPJRHWRFN-KDOFPFPSSA-N 2 2 362.499 0.732 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C4CCC4)C3)C2)CC1 ZINC000643397664 492447806 /nfs/dbraw/zinc/44/78/06/492447806.db2.gz HNCWOCFQLLPFGA-IRXDYDNUSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C4CCC4)C3)C2)CC1 ZINC000643397664 492447809 /nfs/dbraw/zinc/44/78/09/492447809.db2.gz HNCWOCFQLLPFGA-IRXDYDNUSA-N 2 2 362.518 0.920 20 0 FCADLP CN(C(=O)Cc1nc(C2CC2)nn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648779940 492454623 /nfs/dbraw/zinc/45/46/23/492454623.db2.gz MMRJEAAIVXLPAI-INIZCTEOSA-N 2 2 360.506 0.862 20 0 FCADLP CN(C(=O)Cc1nc(C2CC2)nn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648779940 492454626 /nfs/dbraw/zinc/45/46/26/492454626.db2.gz MMRJEAAIVXLPAI-INIZCTEOSA-N 2 2 360.506 0.862 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779152 492455268 /nfs/dbraw/zinc/45/52/68/492455268.db2.gz BTLSSMOIPIWSQM-QBPKDAKJSA-N 2 2 368.522 0.306 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779152 492455272 /nfs/dbraw/zinc/45/52/72/492455272.db2.gz BTLSSMOIPIWSQM-QBPKDAKJSA-N 2 2 368.522 0.306 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000648782705 492456554 /nfs/dbraw/zinc/45/65/54/492456554.db2.gz ZSVDRKUVMBEHLQ-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000648782705 492456558 /nfs/dbraw/zinc/45/65/58/492456558.db2.gz ZSVDRKUVMBEHLQ-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550341 492469019 /nfs/dbraw/zinc/46/90/19/492469019.db2.gz UBBJQFAWSIJZMH-ULQDDVLXSA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000635550341 492469020 /nfs/dbraw/zinc/46/90/20/492469020.db2.gz UBBJQFAWSIJZMH-ULQDDVLXSA-N 2 2 368.522 0.450 20 0 FCADLP O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000643474026 492472610 /nfs/dbraw/zinc/47/26/10/492472610.db2.gz AHGSAYSSQXCHPC-UHFFFAOYSA-N 2 2 357.458 0.332 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000643477910 492474095 /nfs/dbraw/zinc/47/40/95/492474095.db2.gz UREGTXUXICPNDV-MRXNPFEDSA-N 2 2 364.515 0.849 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000643477895 492474440 /nfs/dbraw/zinc/47/44/40/492474440.db2.gz MQKPRLFGSASYCI-ZBFHGGJFSA-N 2 2 364.515 0.978 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000643477892 492474546 /nfs/dbraw/zinc/47/45/46/492474546.db2.gz MQKPRLFGSASYCI-GDBMZVCRSA-N 2 2 364.515 0.978 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000643479745 492476577 /nfs/dbraw/zinc/47/65/77/492476577.db2.gz TXLJHXUDQYLNED-UHFFFAOYSA-N 2 2 350.488 0.732 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655704623 492477739 /nfs/dbraw/zinc/47/77/39/492477739.db2.gz GYLBODCFOYJOBR-ROUUACIJSA-N 3 2 352.523 0.772 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655704623 492477742 /nfs/dbraw/zinc/47/77/42/492477742.db2.gz GYLBODCFOYJOBR-ROUUACIJSA-N 3 2 352.523 0.772 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714371 492478118 /nfs/dbraw/zinc/47/81/18/492478118.db2.gz BRPNZIJTYYBDAY-FUHWJXTLSA-N 3 2 352.523 0.807 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714371 492478120 /nfs/dbraw/zinc/47/81/20/492478120.db2.gz BRPNZIJTYYBDAY-FUHWJXTLSA-N 3 2 352.523 0.807 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000655891375 492484458 /nfs/dbraw/zinc/48/44/58/492484458.db2.gz SIVQIRBQILEMEO-IYBDPMFKSA-N 2 2 353.511 0.175 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000655891375 492484462 /nfs/dbraw/zinc/48/44/62/492484462.db2.gz SIVQIRBQILEMEO-IYBDPMFKSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+]1CCN(CCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000655891375 492484463 /nfs/dbraw/zinc/48/44/63/492484463.db2.gz SIVQIRBQILEMEO-IYBDPMFKSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+]1CCN(CCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000655891375 492484467 /nfs/dbraw/zinc/48/44/67/492484467.db2.gz SIVQIRBQILEMEO-IYBDPMFKSA-N 2 2 353.511 0.175 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000643513718 492486260 /nfs/dbraw/zinc/48/62/60/492486260.db2.gz FZRJZHDWVYSHJF-KGLIPLIRSA-N 2 2 359.474 0.496 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000643519213 492489191 /nfs/dbraw/zinc/48/91/91/492489191.db2.gz HDEGNMIYZFYPES-FZKCQIBNSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000643519213 492489194 /nfs/dbraw/zinc/48/91/94/492489194.db2.gz HDEGNMIYZFYPES-FZKCQIBNSA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000635684937 492491061 /nfs/dbraw/zinc/49/10/61/492491061.db2.gz ADQMIYDBUUSGLG-MRXNPFEDSA-N 2 2 350.463 0.956 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643541209 492494462 /nfs/dbraw/zinc/49/44/62/492494462.db2.gz ZVRAAQIGJKMRCA-KKUMJFAQSA-N 2 2 363.462 0.531 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643541592 492494946 /nfs/dbraw/zinc/49/49/46/492494946.db2.gz XGNPNNFZOOBBOG-CVEARBPZSA-N 2 2 357.458 0.107 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643541593 492495081 /nfs/dbraw/zinc/49/50/81/492495081.db2.gz XGNPNNFZOOBBOG-HOTGVXAUSA-N 2 2 357.458 0.107 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000643594262 492503526 /nfs/dbraw/zinc/50/35/26/492503526.db2.gz WPQPTHKGOFBENO-MSOLQXFVSA-N 2 2 356.470 0.460 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000649274333 492517869 /nfs/dbraw/zinc/51/78/69/492517869.db2.gz DMZFSCSNLTWTJZ-WBAXXEDZSA-N 3 2 357.458 0.376 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000649274330 492517954 /nfs/dbraw/zinc/51/79/54/492517954.db2.gz DMZFSCSNLTWTJZ-FHLIZLRMSA-N 3 2 357.458 0.376 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000649285700 492522290 /nfs/dbraw/zinc/52/22/90/492522290.db2.gz OPAVQABXSIDOJA-OAHLLOKOSA-N 2 2 360.458 0.781 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649293755 492525395 /nfs/dbraw/zinc/52/53/95/492525395.db2.gz IHLQAANQQNSSAH-CABCVRRESA-N 2 2 372.460 0.776 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)CC1([NH3+])CCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301143 492526194 /nfs/dbraw/zinc/52/61/94/492526194.db2.gz HWRGHBBOCDKZDS-GDBMZVCRSA-N 2 2 354.495 0.237 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000656065726 492528279 /nfs/dbraw/zinc/52/82/79/492528279.db2.gz JZOHZODNVCZZOB-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1=O ZINC000635932702 492529542 /nfs/dbraw/zinc/52/95/42/492529542.db2.gz ACYKMNGBWGUZSX-MRXNPFEDSA-N 2 2 373.457 0.552 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1=O ZINC000635932702 492529545 /nfs/dbraw/zinc/52/95/45/492529545.db2.gz ACYKMNGBWGUZSX-MRXNPFEDSA-N 2 2 373.457 0.552 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000656068694 492530357 /nfs/dbraw/zinc/53/03/57/492530357.db2.gz CQDCWQXAMDJKFT-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649325980 492534252 /nfs/dbraw/zinc/53/42/52/492534252.db2.gz NIBHMYCPCXJHLI-GJZGRUSLSA-N 2 2 353.488 0.816 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000649335606 492537627 /nfs/dbraw/zinc/53/76/27/492537627.db2.gz NIOZSRHEQUJHCF-RBUKOAKNSA-N 2 2 358.486 0.224 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000649335606 492537631 /nfs/dbraw/zinc/53/76/31/492537631.db2.gz NIOZSRHEQUJHCF-RBUKOAKNSA-N 2 2 358.486 0.224 20 0 FCADLP Cc1noc(CN2CCCC[C@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2=O)n1 ZINC000643734926 492548003 /nfs/dbraw/zinc/54/80/03/492548003.db2.gz REDWUVLSXLOIIV-AWEZNQCLSA-N 2 2 361.450 0.848 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000649410520 492551075 /nfs/dbraw/zinc/55/10/75/492551075.db2.gz GSOARMITEWNQSN-QAPCUYQASA-N 2 2 362.474 0.505 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCO1 ZINC000649410612 492552685 /nfs/dbraw/zinc/55/26/85/492552685.db2.gz KISWZJDYSSXLDS-HOCLYGCPSA-N 2 2 352.504 0.440 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000649410650 492552805 /nfs/dbraw/zinc/55/28/05/492552805.db2.gz LUSYTHFEJVVFAZ-HOCLYGCPSA-N 2 2 352.504 0.440 20 0 FCADLP CC1([NH3+])CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000649416183 492553873 /nfs/dbraw/zinc/55/38/73/492553873.db2.gz VZZTZZCUQMJXJB-UHFFFAOYSA-N 2 2 360.502 0.948 20 0 FCADLP CC1([NH3+])CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000649416183 492553876 /nfs/dbraw/zinc/55/38/76/492553876.db2.gz VZZTZZCUQMJXJB-UHFFFAOYSA-N 3 2 360.502 0.948 20 0 FCADLP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000643774763 492554795 /nfs/dbraw/zinc/55/47/95/492554795.db2.gz OCYCZORPFCIHEB-MRXNPFEDSA-N 2 2 358.421 0.910 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000643781342 492557167 /nfs/dbraw/zinc/55/71/67/492557167.db2.gz RREIHGJEPWPLIV-ZDUSSCGKSA-N 2 2 357.418 0.605 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1nc(N2CCOCC2)cc[nH+]1 ZINC000656222509 492565391 /nfs/dbraw/zinc/56/53/91/492565391.db2.gz ONEVJQUZWYPBFC-MLGOLLRUSA-N 2 2 357.418 0.479 20 0 FCADLP CCOC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638969 492577549 /nfs/dbraw/zinc/57/75/49/492577549.db2.gz ZLALQUXVOUUQJD-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP CCOC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638969 492577554 /nfs/dbraw/zinc/57/75/54/492577554.db2.gz ZLALQUXVOUUQJD-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+]C2(C3CCC3)CC2)CC1 ZINC000649809517 492585390 /nfs/dbraw/zinc/58/53/90/492585390.db2.gz JWZPBHYXTWCGAK-UHFFFAOYSA-N 2 2 369.473 0.934 20 0 FCADLP NC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000643861344 492586472 /nfs/dbraw/zinc/58/64/72/492586472.db2.gz DTSIBUHXESZTDK-KRWDZBQOSA-N 2 2 370.457 0.656 20 0 FCADLP NC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000643861344 492586474 /nfs/dbraw/zinc/58/64/74/492586474.db2.gz DTSIBUHXESZTDK-KRWDZBQOSA-N 2 2 370.457 0.656 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000636491991 492600229 /nfs/dbraw/zinc/60/02/29/492600229.db2.gz CLZKRBRJSGBKGK-STQMWFEESA-N 2 2 351.451 0.372 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656355520 492610608 /nfs/dbraw/zinc/61/06/08/492610608.db2.gz KZOIVLXATPQPDZ-GJZGRUSLSA-N 2 2 354.520 0.285 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656355520 492610611 /nfs/dbraw/zinc/61/06/11/492610611.db2.gz KZOIVLXATPQPDZ-GJZGRUSLSA-N 2 2 354.520 0.285 20 0 FCADLP Nc1nc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)nc(N)[nH+]1 ZINC000624017090 492613414 /nfs/dbraw/zinc/61/34/14/492613414.db2.gz OTAUKUSFZAGHDJ-UHFFFAOYSA-N 2 2 373.852 0.710 20 0 FCADLP Nc1nc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)nc(N)[nH+]1 ZINC000624017090 492613417 /nfs/dbraw/zinc/61/34/17/492613417.db2.gz OTAUKUSFZAGHDJ-UHFFFAOYSA-N 2 2 373.852 0.710 20 0 FCADLP Cc1ncc(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1C ZINC000629347800 492615804 /nfs/dbraw/zinc/61/58/04/492615804.db2.gz JGUHYHWKEJHHCU-UHFFFAOYSA-N 2 2 350.448 0.676 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636580352 492627587 /nfs/dbraw/zinc/62/75/87/492627587.db2.gz CYZMZNQRZIXGMU-HNAYVOBHSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636580352 492627589 /nfs/dbraw/zinc/62/75/89/492627589.db2.gz CYZMZNQRZIXGMU-HNAYVOBHSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636580352 492627590 /nfs/dbraw/zinc/62/75/90/492627590.db2.gz CYZMZNQRZIXGMU-HNAYVOBHSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636580352 492627593 /nfs/dbraw/zinc/62/75/93/492627593.db2.gz CYZMZNQRZIXGMU-HNAYVOBHSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596627 492633197 /nfs/dbraw/zinc/63/31/97/492633197.db2.gz UDJGMNDJAHCGQR-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000636596627 492633201 /nfs/dbraw/zinc/63/32/01/492633201.db2.gz UDJGMNDJAHCGQR-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596627 492633206 /nfs/dbraw/zinc/63/32/06/492633206.db2.gz UDJGMNDJAHCGQR-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596627 492633211 /nfs/dbraw/zinc/63/32/11/492633211.db2.gz UDJGMNDJAHCGQR-FRQCXROJSA-N 2 2 366.506 0.528 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000656698390 492642810 /nfs/dbraw/zinc/64/28/10/492642810.db2.gz YFCRNXYTLHLOQS-YJBOKZPZSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000656698390 492642813 /nfs/dbraw/zinc/64/28/13/492642813.db2.gz YFCRNXYTLHLOQS-YJBOKZPZSA-N 2 2 359.474 0.817 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629560207 492645249 /nfs/dbraw/zinc/64/52/49/492645249.db2.gz DPAOSIDQUHCZID-MJBXVCDLSA-N 2 2 364.412 0.573 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629560207 492645252 /nfs/dbraw/zinc/64/52/52/492645252.db2.gz DPAOSIDQUHCZID-MJBXVCDLSA-N 2 2 364.412 0.573 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000650558932 492650079 /nfs/dbraw/zinc/65/00/79/492650079.db2.gz HMZHMWMLIKEADD-MRXNPFEDSA-N 2 2 368.478 0.873 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000650646875 492659174 /nfs/dbraw/zinc/65/91/74/492659174.db2.gz HEUODLYTHNGYKZ-KRWDZBQOSA-N 2 2 356.511 0.851 20 0 FCADLP C[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCc2sccc2C1 ZINC000650679827 492660504 /nfs/dbraw/zinc/66/05/04/492660504.db2.gz AGPQCERKYRPTEN-CZUORRHYSA-N 2 2 364.515 0.955 20 0 FCADLP C[C@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000650679827 492660516 /nfs/dbraw/zinc/66/05/16/492660516.db2.gz AGPQCERKYRPTEN-CZUORRHYSA-N 2 2 364.515 0.955 20 0 FCADLP C[C@H](CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[N@H+]1CCc2sccc2C1 ZINC000650679827 492660524 /nfs/dbraw/zinc/66/05/24/492660524.db2.gz AGPQCERKYRPTEN-CZUORRHYSA-N 2 2 364.515 0.955 20 0 FCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650698012 492662171 /nfs/dbraw/zinc/66/21/71/492662171.db2.gz NPXWMZDSIUUYQT-LJQANCHMSA-N 2 2 374.485 0.479 20 0 FCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650698012 492662173 /nfs/dbraw/zinc/66/21/73/492662173.db2.gz NPXWMZDSIUUYQT-LJQANCHMSA-N 2 2 374.485 0.479 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000650809389 492670301 /nfs/dbraw/zinc/67/03/01/492670301.db2.gz GXRSTIVASJHOBN-MRXNPFEDSA-N 2 2 367.494 0.818 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629784596 492671144 /nfs/dbraw/zinc/67/11/44/492671144.db2.gz QQMMPUJYBRSFAW-RYUDHWBXSA-N 2 2 350.385 0.136 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000650865629 492677772 /nfs/dbraw/zinc/67/77/72/492677772.db2.gz FEDZBOBESGHMHT-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000650865629 492677776 /nfs/dbraw/zinc/67/77/76/492677776.db2.gz FEDZBOBESGHMHT-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650865629 492677779 /nfs/dbraw/zinc/67/77/79/492677779.db2.gz FEDZBOBESGHMHT-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650865629 492677781 /nfs/dbraw/zinc/67/77/81/492677781.db2.gz FEDZBOBESGHMHT-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000650864821 492677865 /nfs/dbraw/zinc/67/78/65/492677865.db2.gz FRQTXDXSACEAQO-KRWDZBQOSA-N 2 2 356.511 0.851 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000650864821 492677869 /nfs/dbraw/zinc/67/78/69/492677869.db2.gz FRQTXDXSACEAQO-KRWDZBQOSA-N 2 2 356.511 0.851 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000629814375 492686330 /nfs/dbraw/zinc/68/63/30/492686330.db2.gz IHNKPYRNEJWFCD-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000651062940 492702355 /nfs/dbraw/zinc/70/23/55/492702355.db2.gz OIPUIFUICLPSJJ-GOSISDBHSA-N 2 2 368.522 0.994 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000651062940 492702360 /nfs/dbraw/zinc/70/23/60/492702360.db2.gz OIPUIFUICLPSJJ-GOSISDBHSA-N 2 2 368.522 0.994 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000644371859 492727526 /nfs/dbraw/zinc/72/75/26/492727526.db2.gz KNJUFIJQBLEFPQ-KFWWJZLASA-N 2 2 350.467 0.517 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000657450934 492752413 /nfs/dbraw/zinc/75/24/13/492752413.db2.gz NCWMUCRNFYXETN-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000657450934 492752418 /nfs/dbraw/zinc/75/24/18/492752418.db2.gz NCWMUCRNFYXETN-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570479 492786212 /nfs/dbraw/zinc/78/62/12/492786212.db2.gz MHLXNOHPUWQYQB-MSOLQXFVSA-N 2 2 357.458 0.608 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570479 492786214 /nfs/dbraw/zinc/78/62/14/492786214.db2.gz MHLXNOHPUWQYQB-MSOLQXFVSA-N 2 2 357.458 0.608 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657741169 492786926 /nfs/dbraw/zinc/78/69/26/492786926.db2.gz DQTVXZLULVXJFO-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577674 492787135 /nfs/dbraw/zinc/78/71/35/492787135.db2.gz NATZCAJSUJWTSM-QZTJIDSGSA-N 2 2 371.485 0.998 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577674 492787138 /nfs/dbraw/zinc/78/71/38/492787138.db2.gz NATZCAJSUJWTSM-QZTJIDSGSA-N 2 2 371.485 0.998 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000657743429 492787266 /nfs/dbraw/zinc/78/72/66/492787266.db2.gz BFKZHXLLXIWMBP-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743487 492788144 /nfs/dbraw/zinc/78/81/44/492788144.db2.gz CCXZSTOPYKSQLS-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(C(=O)C1CSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000630943398 492788452 /nfs/dbraw/zinc/78/84/52/492788452.db2.gz QSNMASXHUVVGIE-UHFFFAOYSA-N 2 2 354.520 0.046 20 0 FCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000657745445 492789025 /nfs/dbraw/zinc/78/90/25/492789025.db2.gz QPEKUQWNNOZPKW-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP O=S1(=O)CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631035793 492793526 /nfs/dbraw/zinc/79/35/26/492793526.db2.gz QSLJWGORLTVVCG-INIZCTEOSA-N 2 2 354.472 0.674 20 0 FCADLP O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631042571 492794304 /nfs/dbraw/zinc/79/43/04/492794304.db2.gz LYFSMGSUENVRJF-KRWDZBQOSA-N 2 2 368.499 0.922 20 0 FCADLP COCCc1ncc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000631074131 492797579 /nfs/dbraw/zinc/79/75/79/492797579.db2.gz ZQGIOZKXPLOPCD-HNNXBMFYSA-N 2 2 354.520 0.828 20 0 FCADLP CNS(=O)(=O)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631118395 492798430 /nfs/dbraw/zinc/79/84/30/492798430.db2.gz IUTJLVGKDHUVCI-UHFFFAOYSA-N 2 2 357.476 0.036 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2[nH+]1 ZINC000657839067 492801424 /nfs/dbraw/zinc/80/14/24/492801424.db2.gz KZBJNFBAVQCTIW-UHFFFAOYSA-N 3 2 360.462 0.533 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283532 492805606 /nfs/dbraw/zinc/80/56/06/492805606.db2.gz USQCJTORRYKCNM-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283532 492805609 /nfs/dbraw/zinc/80/56/09/492805609.db2.gz USQCJTORRYKCNM-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637283532 492805611 /nfs/dbraw/zinc/80/56/11/492805611.db2.gz USQCJTORRYKCNM-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637283532 492805613 /nfs/dbraw/zinc/80/56/13/492805613.db2.gz USQCJTORRYKCNM-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257814 492807151 /nfs/dbraw/zinc/80/71/51/492807151.db2.gz FSFJWNZBNQAJEQ-FZKQIMNGSA-N 2 2 361.442 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257814 492807153 /nfs/dbraw/zinc/80/71/53/492807153.db2.gz FSFJWNZBNQAJEQ-FZKQIMNGSA-N 2 2 361.442 0.817 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856772 492864749 /nfs/dbraw/zinc/86/47/49/492864749.db2.gz AQCYADPYQIBXFU-CABCVRRESA-N 2 2 369.487 0.508 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856772 492864751 /nfs/dbraw/zinc/86/47/51/492864751.db2.gz AQCYADPYQIBXFU-CABCVRRESA-N 2 2 369.487 0.508 20 0 FCADLP COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC([NH2+]CCO)CC2)cc1OC ZINC000631864163 492865410 /nfs/dbraw/zinc/86/54/10/492865410.db2.gz LNMOWHXLPDAEQJ-AWEZNQCLSA-N 2 2 365.474 0.755 20 0 FCADLP O=C(CN1CCC([NH2+]CCO)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000631863152 492865839 /nfs/dbraw/zinc/86/58/39/492865839.db2.gz RVRPMOBAJXPXKA-UHFFFAOYSA-N 2 2 366.531 0.439 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000637810706 492867810 /nfs/dbraw/zinc/86/78/10/492867810.db2.gz NFYMCFQNVVYRHQ-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000637810706 492867814 /nfs/dbraw/zinc/86/78/14/492867814.db2.gz NFYMCFQNVVYRHQ-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H](C[NH2+]C)C2)[C@H]1c1[nH+]ccn1C ZINC000637799213 492867876 /nfs/dbraw/zinc/86/78/76/492867876.db2.gz LCYDRSLRWNBTJF-KBMXLJTQSA-N 2 2 363.462 0.167 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC(C[NH2+]C)CC2)[C@H]1c1[nH+]ccn1C ZINC000637836315 492869979 /nfs/dbraw/zinc/86/99/79/492869979.db2.gz YGNLPZDRHKJWQY-HOTGVXAUSA-N 2 2 363.462 0.167 20 0 FCADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000631911687 492878221 /nfs/dbraw/zinc/87/82/21/492878221.db2.gz OJRWLICHRAPADG-INIZCTEOSA-N 2 2 350.444 0.339 20 0 FCADLP CC[C@H](C)[C@H](C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000637941712 492881666 /nfs/dbraw/zinc/88/16/66/492881666.db2.gz FNVKOFOAXHCENP-HOTGVXAUSA-N 2 2 362.540 0.157 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000631927377 492888999 /nfs/dbraw/zinc/88/89/99/492888999.db2.gz XKKSSFOMABHBRI-JKSUJKDBSA-N 2 2 360.524 0.148 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625802628 492889380 /nfs/dbraw/zinc/88/93/80/492889380.db2.gz VUIZBULOJSMSFQ-KBMXLJTQSA-N 2 2 363.462 0.261 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000645319144 492892269 /nfs/dbraw/zinc/89/22/69/492892269.db2.gz MPTXQCRCPSYSTN-WBVHZDCISA-N 2 2 355.442 0.884 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000652208731 492894836 /nfs/dbraw/zinc/89/48/36/492894836.db2.gz NTGBWENSQCBTMV-QGZVFWFLSA-N 2 2 350.463 0.677 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1)N1CCCC1 ZINC000638059815 492898618 /nfs/dbraw/zinc/89/86/18/492898618.db2.gz XOSRGGISSKESOU-UHFFFAOYSA-N 2 2 370.497 0.641 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000638116528 492909211 /nfs/dbraw/zinc/90/92/11/492909211.db2.gz FLZZMWBRQHKSKX-GJYPPUQNSA-N 2 2 361.490 0.475 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638139192 492917244 /nfs/dbraw/zinc/91/72/44/492917244.db2.gz JRWHOXSYMCDYGU-OAHLLOKOSA-N 2 2 354.458 0.876 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000638142048 492917643 /nfs/dbraw/zinc/91/76/43/492917643.db2.gz XLCWAUUOLVVEIC-SFHVURJKSA-N 2 2 357.458 0.643 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(S(N)(=O)=O)o3)CC2)CC1 ZINC000638153649 492919645 /nfs/dbraw/zinc/91/96/45/492919645.db2.gz QUFDBGKHEYJMHA-UHFFFAOYSA-N 2 2 370.519 0.917 20 0 FCADLP C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000632099556 492929182 /nfs/dbraw/zinc/92/91/82/492929182.db2.gz LGKMNKAPQYSOGU-IAGOWNOFSA-N 2 2 369.535 0.733 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000652438746 492932874 /nfs/dbraw/zinc/93/28/74/492932874.db2.gz BNFGAXHKGCTZBH-HNNXBMFYSA-N 2 2 350.463 0.560 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1 ZINC000638320145 492934653 /nfs/dbraw/zinc/93/46/53/492934653.db2.gz XDDYSKRDAPJTEZ-WSMBLCCSSA-N 2 2 353.442 0.216 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cn2cc[nH+]c12 ZINC000658534560 492934660 /nfs/dbraw/zinc/93/46/60/492934660.db2.gz FATLXHKGAMHXFT-OAHLLOKOSA-N 2 2 357.414 0.514 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000658539694 492937972 /nfs/dbraw/zinc/93/79/72/492937972.db2.gz GZCDGVBWXSRYCC-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[NH2+]CC1=O ZINC000638408869 492944889 /nfs/dbraw/zinc/94/48/89/492944889.db2.gz KSSXMPYCLYBXQZ-HNNXBMFYSA-N 2 2 359.474 0.230 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000638442570 492948819 /nfs/dbraw/zinc/94/88/19/492948819.db2.gz XINDBOZHRRHUDE-ADOMEBDSSA-N 2 2 361.446 0.048 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1[nH+]ccn1C ZINC000638515323 492957375 /nfs/dbraw/zinc/95/73/75/492957375.db2.gz ZXNBOLZPVHPZBR-QEJZJMRPSA-N 2 2 361.446 0.109 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346743 492965199 /nfs/dbraw/zinc/96/51/99/492965199.db2.gz XVURXQKBUUVTOE-VDERGJSUSA-N 2 2 363.462 0.260 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346743 492965203 /nfs/dbraw/zinc/96/52/03/492965203.db2.gz XVURXQKBUUVTOE-VDERGJSUSA-N 2 2 363.462 0.260 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638730206 492974102 /nfs/dbraw/zinc/97/41/02/492974102.db2.gz VIFDISQLEVYKOP-HZPDHXFCSA-N 2 2 370.457 0.512 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638730206 492974104 /nfs/dbraw/zinc/97/41/04/492974104.db2.gz VIFDISQLEVYKOP-HZPDHXFCSA-N 2 2 370.457 0.512 20 0 FCADLP CCN1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1=O ZINC000638824909 492980998 /nfs/dbraw/zinc/98/09/98/492980998.db2.gz JRNCQZHWEDTTAB-DLBZAZTESA-N 2 2 355.442 0.538 20 0 FCADLP CCN1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1=O ZINC000638824910 492981215 /nfs/dbraw/zinc/98/12/15/492981215.db2.gz JRNCQZHWEDTTAB-IRXDYDNUSA-N 2 2 355.442 0.538 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)S1 ZINC000658615979 492981895 /nfs/dbraw/zinc/98/18/95/492981895.db2.gz AXTZTODELPSTIF-HUUCEWRRSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)S1 ZINC000658615979 492981897 /nfs/dbraw/zinc/98/18/97/492981897.db2.gz AXTZTODELPSTIF-HUUCEWRRSA-N 2 2 370.563 0.823 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638855698 492982436 /nfs/dbraw/zinc/98/24/36/492982436.db2.gz HUCGKKGWAMJRAH-RDJZCZTQSA-N 2 2 360.458 0.506 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000652676036 492986003 /nfs/dbraw/zinc/98/60/03/492986003.db2.gz NMNKXZXNYQIFTN-UHFFFAOYSA-N 2 2 359.474 0.804 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)C[C@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941107 492990153 /nfs/dbraw/zinc/99/01/53/492990153.db2.gz KDKALHVNPFKVIJ-MOPGFXCFSA-N 2 2 360.502 0.421 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941109 492990367 /nfs/dbraw/zinc/99/03/67/492990367.db2.gz KDKALHVNPFKVIJ-RBUKOAKNSA-N 2 2 360.502 0.421 20 0 FCADLP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005270 492991478 /nfs/dbraw/zinc/99/14/78/492991478.db2.gz VQGZUWOERQQLCH-AWEZNQCLSA-N 2 2 355.446 0.277 20 0 FCADLP NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639087796 492996130 /nfs/dbraw/zinc/99/61/30/492996130.db2.gz NCYJVOWJSWWAGA-KRWDZBQOSA-N 2 2 369.487 0.260 20 0 FCADLP NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639087796 492996134 /nfs/dbraw/zinc/99/61/34/492996134.db2.gz NCYJVOWJSWWAGA-KRWDZBQOSA-N 2 2 369.487 0.260 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)CC1 ZINC000645994826 492997922 /nfs/dbraw/zinc/99/79/22/492997922.db2.gz ULFXELJVQWYZPN-IBGZPJMESA-N 2 2 370.497 0.856 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)CC1 ZINC000645994826 492997925 /nfs/dbraw/zinc/99/79/25/492997925.db2.gz ULFXELJVQWYZPN-IBGZPJMESA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652724828 493004476 /nfs/dbraw/zinc/00/44/76/493004476.db2.gz NPNUKZLCIVOYFB-GASCZTMLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652724828 493004479 /nfs/dbraw/zinc/00/44/79/493004479.db2.gz NPNUKZLCIVOYFB-GASCZTMLSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509536 493015437 /nfs/dbraw/zinc/01/54/37/493015437.db2.gz FMTJTLCVLSUSMY-GDBMZVCRSA-N 2 2 374.551 0.331 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509536 493015442 /nfs/dbraw/zinc/01/54/42/493015442.db2.gz FMTJTLCVLSUSMY-GDBMZVCRSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509536 493015444 /nfs/dbraw/zinc/01/54/44/493015444.db2.gz FMTJTLCVLSUSMY-GDBMZVCRSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509536 493015447 /nfs/dbraw/zinc/01/54/47/493015447.db2.gz FMTJTLCVLSUSMY-GDBMZVCRSA-N 2 2 374.551 0.331 20 0 FCADLP CCCn1nccc1NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000639527785 493017871 /nfs/dbraw/zinc/01/78/71/493017871.db2.gz YEQOFHANWVUFRV-UHFFFAOYSA-N 2 2 364.494 0.621 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cn21 ZINC000646234278 493031477 /nfs/dbraw/zinc/03/14/77/493031477.db2.gz GZIIYAQUEVXQAM-OAHLLOKOSA-N 2 2 372.473 0.682 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)[C@H]1c1[nH+]ccn1C ZINC000626859782 493038887 /nfs/dbraw/zinc/03/88/87/493038887.db2.gz YOQBFFRVSLWLPA-GJZGRUSLSA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1[nH+]ccn1C ZINC000626859782 493038890 /nfs/dbraw/zinc/03/88/90/493038890.db2.gz YOQBFFRVSLWLPA-GJZGRUSLSA-N 2 2 363.462 0.261 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nn1 ZINC000646440864 493048266 /nfs/dbraw/zinc/04/82/66/493048266.db2.gz JKUUAVSHDYQFPG-GDBMZVCRSA-N 2 2 350.467 0.390 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@]3(C)CO)CC2)c1 ZINC000639853526 493056757 /nfs/dbraw/zinc/05/67/57/493056757.db2.gz GJKSXDHYYHDHHX-AZUAARDMSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@]3(C)CO)CC2)c1 ZINC000639853526 493056758 /nfs/dbraw/zinc/05/67/58/493056758.db2.gz GJKSXDHYYHDHHX-AZUAARDMSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@@]3(C)CO)CC2)c1 ZINC000639853528 493056928 /nfs/dbraw/zinc/05/69/28/493056928.db2.gz GJKSXDHYYHDHHX-QUCCMNQESA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@@]3(C)CO)CC2)c1 ZINC000639853528 493056934 /nfs/dbraw/zinc/05/69/34/493056934.db2.gz GJKSXDHYYHDHHX-QUCCMNQESA-N 2 2 361.486 0.457 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000653069054 493066197 /nfs/dbraw/zinc/06/61/97/493066197.db2.gz AKIZAVPYWGDSEZ-MRXNPFEDSA-N 2 2 366.893 0.832 20 0 FCADLP COc1cc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)ccc1C ZINC000653074659 493067210 /nfs/dbraw/zinc/06/72/10/493067210.db2.gz QFAWIRSZVUUPDV-MRXNPFEDSA-N 2 2 362.474 0.567 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000653079007 493067860 /nfs/dbraw/zinc/06/78/60/493067860.db2.gz PZHNSFQHLZLHQQ-MRXNPFEDSA-N 2 2 353.511 0.888 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000653079077 493067871 /nfs/dbraw/zinc/06/78/71/493067871.db2.gz SCQXQYFKZIKQEG-AWEZNQCLSA-N 2 2 370.519 0.659 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000653079245 493068044 /nfs/dbraw/zinc/06/80/44/493068044.db2.gz XVCNMGYDXWIHKO-OCCSQVGLSA-N 2 2 363.380 0.840 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000653081858 493068077 /nfs/dbraw/zinc/06/80/77/493068077.db2.gz AVMLNQKHDKJAJL-LSDHHAIUSA-N 2 2 351.426 0.827 20 0 FCADLP CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653095776 493069656 /nfs/dbraw/zinc/06/96/56/493069656.db2.gz VQGDYFRNGYQFHH-AWEZNQCLSA-N 2 2 354.476 0.153 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2=O)c1 ZINC000653100757 493070725 /nfs/dbraw/zinc/07/07/25/493070725.db2.gz XRTZNUFWDKMULO-HOTGVXAUSA-N 2 2 364.446 0.204 20 0 FCADLP COc1ccc(F)cc1CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653106106 493070753 /nfs/dbraw/zinc/07/07/53/493070753.db2.gz UMDTZBBZCKNOSL-INIZCTEOSA-N 2 2 352.454 0.758 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000653111492 493071598 /nfs/dbraw/zinc/07/15/98/493071598.db2.gz PSCAYULRCRPQJC-GVDBMIGSSA-N 2 2 368.522 0.355 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653109515 493071656 /nfs/dbraw/zinc/07/16/56/493071656.db2.gz DHOXNPNVJYJKFH-IRXDYDNUSA-N 2 2 350.507 0.921 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000653125025 493075731 /nfs/dbraw/zinc/07/57/31/493075731.db2.gz QMLQLLACNTXLDK-LJQANCHMSA-N 3 2 361.534 0.984 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000653125634 493075789 /nfs/dbraw/zinc/07/57/89/493075789.db2.gz LEFUJOAWPNWGCO-QGZVFWFLSA-N 3 2 367.925 0.857 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000653125024 493075895 /nfs/dbraw/zinc/07/58/95/493075895.db2.gz QMLQLLACNTXLDK-IBGZPJMESA-N 3 2 361.534 0.984 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000640051121 493079579 /nfs/dbraw/zinc/07/95/79/493079579.db2.gz IFYLBCLKASWNQU-QGZVFWFLSA-N 2 2 358.486 0.855 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000640051121 493079582 /nfs/dbraw/zinc/07/95/82/493079582.db2.gz IFYLBCLKASWNQU-QGZVFWFLSA-N 2 2 358.486 0.855 20 0 FCADLP CCOc1ccc(OC[C@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049905 493080665 /nfs/dbraw/zinc/08/06/65/493080665.db2.gz TWXBJNUOEPMFKU-MRXNPFEDSA-N 2 2 365.474 0.531 20 0 FCADLP CCOc1ccc(OC[C@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049905 493080666 /nfs/dbraw/zinc/08/06/66/493080666.db2.gz TWXBJNUOEPMFKU-MRXNPFEDSA-N 2 2 365.474 0.531 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000640098438 493083001 /nfs/dbraw/zinc/08/30/01/493083001.db2.gz SEHIEXBBGRUXBA-KRWDZBQOSA-N 2 2 360.506 0.189 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000653275519 493087873 /nfs/dbraw/zinc/08/78/73/493087873.db2.gz HINYXKOSHAMSGT-KRWDZBQOSA-N 2 2 351.447 0.502 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000653354338 493098122 /nfs/dbraw/zinc/09/81/22/493098122.db2.gz UODSGECISXJTHP-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000653360973 493100812 /nfs/dbraw/zinc/10/08/12/493100812.db2.gz AKXUGWKRBMFGCU-UHFFFAOYSA-N 2 2 357.458 0.937 20 0 FCADLP COc1cc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1OC ZINC000646835523 493109272 /nfs/dbraw/zinc/10/92/72/493109272.db2.gz XTMISICASISEIB-CQSZACIVSA-N 2 2 351.447 0.746 20 0 FCADLP COc1cc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1OC ZINC000646835523 493109275 /nfs/dbraw/zinc/10/92/75/493109275.db2.gz XTMISICASISEIB-CQSZACIVSA-N 2 2 351.447 0.746 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627223277 493110016 /nfs/dbraw/zinc/11/00/16/493110016.db2.gz AICMWWOAYLALHR-KSZLIROESA-N 2 2 359.474 0.676 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627223277 493110019 /nfs/dbraw/zinc/11/00/19/493110019.db2.gz AICMWWOAYLALHR-KSZLIROESA-N 2 2 359.474 0.676 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653383433 493110284 /nfs/dbraw/zinc/11/02/84/493110284.db2.gz OOGDNTINAFIESL-WMZOPIPTSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653383433 493110289 /nfs/dbraw/zinc/11/02/89/493110289.db2.gz OOGDNTINAFIESL-WMZOPIPTSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000653391623 493116001 /nfs/dbraw/zinc/11/60/01/493116001.db2.gz GXNXFFYNQGYVBW-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640573955 493117114 /nfs/dbraw/zinc/11/71/14/493117114.db2.gz OLHFWULXYBETHL-UHFFFAOYSA-N 2 2 365.478 0.954 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095501 493122796 /nfs/dbraw/zinc/12/27/96/493122796.db2.gz ULDXEROVCFAVLL-IRXDYDNUSA-N 2 2 371.485 0.719 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633096864 493123267 /nfs/dbraw/zinc/12/32/67/493123267.db2.gz APGITGLSXZSFME-XHSDSOJGSA-N 2 2 367.453 0.908 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@@H+]1C1CC1 ZINC000633099816 493124910 /nfs/dbraw/zinc/12/49/10/493124910.db2.gz LVUJCBDKWFPGGR-WBVHZDCISA-N 2 2 358.490 0.972 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@H+]1C1CC1 ZINC000633099816 493124914 /nfs/dbraw/zinc/12/49/14/493124914.db2.gz LVUJCBDKWFPGGR-WBVHZDCISA-N 2 2 358.490 0.972 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCC(=O)N1C ZINC000659025672 493127467 /nfs/dbraw/zinc/12/74/67/493127467.db2.gz USLDDSGNFFTHTJ-QXEWZRGKSA-N 2 2 362.356 0.271 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000647028493 493148060 /nfs/dbraw/zinc/14/80/60/493148060.db2.gz SUZDJYCZQSSETG-OAGGEKHMSA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000647028493 493148064 /nfs/dbraw/zinc/14/80/64/493148064.db2.gz SUZDJYCZQSSETG-OAGGEKHMSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H](C)CO1 ZINC000659094443 493149172 /nfs/dbraw/zinc/14/91/72/493149172.db2.gz MDJVYGMQMAORAN-UONOGXRCSA-N 2 2 364.446 0.188 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H](C)CO1 ZINC000659094443 493149176 /nfs/dbraw/zinc/14/91/76/493149176.db2.gz MDJVYGMQMAORAN-UONOGXRCSA-N 2 2 364.446 0.188 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000653497749 493155481 /nfs/dbraw/zinc/15/54/81/493155481.db2.gz WADPNMTYRAROCU-AEFFLSMTSA-N 2 2 355.523 0.896 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000653497749 493155483 /nfs/dbraw/zinc/15/54/83/493155483.db2.gz WADPNMTYRAROCU-AEFFLSMTSA-N 2 2 355.523 0.896 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000653497752 493155736 /nfs/dbraw/zinc/15/57/36/493155736.db2.gz WADPNMTYRAROCU-WMZOPIPTSA-N 2 2 355.523 0.896 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000653497752 493155741 /nfs/dbraw/zinc/15/57/41/493155741.db2.gz WADPNMTYRAROCU-WMZOPIPTSA-N 2 2 355.523 0.896 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000647082127 493159445 /nfs/dbraw/zinc/15/94/45/493159445.db2.gz KLSIGZLAKDOPTA-YJBOKZPZSA-N 2 2 364.465 0.831 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755034 493175989 /nfs/dbraw/zinc/17/59/89/493175989.db2.gz GWGDPUCCLDQJAK-LBPRGKRZSA-N 2 2 363.455 0.096 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755034 493175995 /nfs/dbraw/zinc/17/59/95/493175995.db2.gz GWGDPUCCLDQJAK-LBPRGKRZSA-N 2 2 363.455 0.096 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755034 493175999 /nfs/dbraw/zinc/17/59/99/493175999.db2.gz GWGDPUCCLDQJAK-LBPRGKRZSA-N 2 2 363.455 0.096 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000653755034 493176005 /nfs/dbraw/zinc/17/60/05/493176005.db2.gz GWGDPUCCLDQJAK-LBPRGKRZSA-N 2 2 363.455 0.096 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659431511 493176215 /nfs/dbraw/zinc/17/62/15/493176215.db2.gz MICCMZBZZWAPRG-UHFFFAOYSA-N 2 2 355.402 0.798 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000659284579 493183950 /nfs/dbraw/zinc/18/39/50/493183950.db2.gz LACMPFNZXXOXOS-MRXNPFEDSA-N 2 2 358.446 0.349 20 0 FCADLP Cc1cccc([C@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCOCC2)c1 ZINC000659292407 493184785 /nfs/dbraw/zinc/18/47/85/493184785.db2.gz PGKZUECIMGLFSE-KRWDZBQOSA-N 2 2 358.446 0.349 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344513 493194655 /nfs/dbraw/zinc/19/46/55/493194655.db2.gz AWMNAZQZOGIEJN-UXLLHSPISA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344513 493194658 /nfs/dbraw/zinc/19/46/58/493194658.db2.gz AWMNAZQZOGIEJN-UXLLHSPISA-N 2 2 366.506 0.249 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000666619013 493208306 /nfs/dbraw/zinc/20/83/06/493208306.db2.gz AKFQVHAZMQJKDD-CYBMUJFWSA-N 2 2 355.464 0.044 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000666619013 493208310 /nfs/dbraw/zinc/20/83/10/493208310.db2.gz AKFQVHAZMQJKDD-CYBMUJFWSA-N 2 2 355.464 0.044 20 0 FCADLP CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681791970 493217888 /nfs/dbraw/zinc/21/78/88/493217888.db2.gz SKTFTYCEDSZOBN-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681791970 493217890 /nfs/dbraw/zinc/21/78/90/493217890.db2.gz SKTFTYCEDSZOBN-NVXWUHKLSA-N 2 2 365.522 0.807 20 0 FCADLP CCCN(CC1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637881 493220626 /nfs/dbraw/zinc/22/06/26/493220626.db2.gz PBKPJVYWNCHQMC-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCN(CC1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637881 493220629 /nfs/dbraw/zinc/22/06/29/493220629.db2.gz PBKPJVYWNCHQMC-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1ccncc1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638044 493221000 /nfs/dbraw/zinc/22/10/00/493221000.db2.gz QPEMVBXKDIMMNH-JKSUJKDBSA-N 2 2 373.501 0.852 20 0 FCADLP Cc1ccncc1[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638044 493221002 /nfs/dbraw/zinc/22/10/02/493221002.db2.gz QPEMVBXKDIMMNH-JKSUJKDBSA-N 2 2 373.501 0.852 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639534 493221348 /nfs/dbraw/zinc/22/13/48/493221348.db2.gz LQOKINGYYSFTFK-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639534 493221351 /nfs/dbraw/zinc/22/13/51/493221351.db2.gz LQOKINGYYSFTFK-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639924 493221362 /nfs/dbraw/zinc/22/13/62/493221362.db2.gz PBBIUNZHSQIZOG-KGLIPLIRSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H]1CSCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639924 493221363 /nfs/dbraw/zinc/22/13/63/493221363.db2.gz PBBIUNZHSQIZOG-KGLIPLIRSA-N 2 2 354.520 0.235 20 0 FCADLP CC[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638377 493221858 /nfs/dbraw/zinc/22/18/58/493221858.db2.gz FHIKFPGALSYVCD-DNVCBOLYSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638377 493221861 /nfs/dbraw/zinc/22/18/61/493221861.db2.gz FHIKFPGALSYVCD-DNVCBOLYSA-N 2 2 366.506 0.035 20 0 FCADLP CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639229 493221938 /nfs/dbraw/zinc/22/19/38/493221938.db2.gz KILWOARSBHHZBG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C[C@@H]1CCOC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639229 493221940 /nfs/dbraw/zinc/22/19/40/493221940.db2.gz KILWOARSBHHZBG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638352 493222267 /nfs/dbraw/zinc/22/22/67/493222267.db2.gz OZJZKGLCNHQQOA-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638352 493222269 /nfs/dbraw/zinc/22/22/69/493222269.db2.gz OZJZKGLCNHQQOA-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638702 493222557 /nfs/dbraw/zinc/22/25/57/493222557.db2.gz HKLWUKGQBLOJHV-ZMSDIMECSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638702 493222561 /nfs/dbraw/zinc/22/25/61/493222561.db2.gz HKLWUKGQBLOJHV-ZMSDIMECSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627004 493222926 /nfs/dbraw/zinc/22/29/26/493222926.db2.gz PLALEYDERONBPC-QPIRBTGLSA-N 2 2 357.502 0.935 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659627004 493222928 /nfs/dbraw/zinc/22/29/28/493222928.db2.gz PLALEYDERONBPC-QPIRBTGLSA-N 2 2 357.502 0.935 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640863 493223911 /nfs/dbraw/zinc/22/39/11/493223911.db2.gz KYXOAYYTOIFQDZ-OAGGEKHMSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640863 493223915 /nfs/dbraw/zinc/22/39/15/493223915.db2.gz KYXOAYYTOIFQDZ-OAGGEKHMSA-N 2 2 350.507 0.776 20 0 FCADLP CCCN(CC(C)(C)O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640711 493224211 /nfs/dbraw/zinc/22/42/11/493224211.db2.gz GYHKJRUFHBRLFC-HNNXBMFYSA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CC(C)(C)O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640711 493224213 /nfs/dbraw/zinc/22/42/13/493224213.db2.gz GYHKJRUFHBRLFC-HNNXBMFYSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672640000 493224878 /nfs/dbraw/zinc/22/48/78/493224878.db2.gz RBXOYLOJJCNLJV-ZMSDIMECSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672640000 493224880 /nfs/dbraw/zinc/22/48/80/493224880.db2.gz RBXOYLOJJCNLJV-ZMSDIMECSA-N 2 2 366.506 0.297 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000672642533 493225530 /nfs/dbraw/zinc/22/55/30/493225530.db2.gz CFZNKHNMAUHEGB-HIFRSBDPSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000672642533 493225532 /nfs/dbraw/zinc/22/55/32/493225532.db2.gz CFZNKHNMAUHEGB-HIFRSBDPSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000672642532 493225600 /nfs/dbraw/zinc/22/56/00/493225600.db2.gz CFZNKHNMAUHEGB-DZGCQCFKSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000672642532 493225602 /nfs/dbraw/zinc/22/56/02/493225602.db2.gz CFZNKHNMAUHEGB-DZGCQCFKSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H]1CSCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642634 493225797 /nfs/dbraw/zinc/22/57/97/493225797.db2.gz QUJQDTKUPQFXCM-GJZGRUSLSA-N 2 2 368.547 0.483 20 0 FCADLP C[C@@H]1CSCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642634 493225799 /nfs/dbraw/zinc/22/57/99/493225799.db2.gz QUJQDTKUPQFXCM-GJZGRUSLSA-N 2 2 368.547 0.483 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000672641812 493226694 /nfs/dbraw/zinc/22/66/94/493226694.db2.gz ULNYZWRQQQRRME-UKRRQHHQSA-N 2 2 354.520 0.283 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000672641812 493226696 /nfs/dbraw/zinc/22/66/96/493226696.db2.gz ULNYZWRQQQRRME-UKRRQHHQSA-N 2 2 354.520 0.283 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672642344 493226821 /nfs/dbraw/zinc/22/68/21/493226821.db2.gz HABNSFWBUSAXKM-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000672642344 493226823 /nfs/dbraw/zinc/22/68/23/493226823.db2.gz HABNSFWBUSAXKM-UXLLHSPISA-N 2 2 366.506 0.345 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCC(=O)N1C ZINC000659641380 493227148 /nfs/dbraw/zinc/22/71/48/493227148.db2.gz NEVAOCAXJLXLCY-YCPHGPKFSA-N 2 2 360.462 0.618 20 0 FCADLP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)C[C@H]1C[NH3+] ZINC000659640463 493227200 /nfs/dbraw/zinc/22/72/00/493227200.db2.gz GJGZGCIMNFDUET-IXYNUQLISA-N 2 2 362.478 0.708 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000659646967 493228998 /nfs/dbraw/zinc/22/89/98/493228998.db2.gz RAVWQRYPKHMTCB-AWEZNQCLSA-N 2 2 365.453 0.491 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672693423 493233427 /nfs/dbraw/zinc/23/34/27/493233427.db2.gz WIOGLEULXNTCCD-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672693425 493233541 /nfs/dbraw/zinc/23/35/41/493233541.db2.gz WIOGLEULXNTCCD-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000666943009 493239482 /nfs/dbraw/zinc/23/94/82/493239482.db2.gz OVZQPOJNZRYGNF-GFCCVEGCSA-N 2 2 355.464 0.091 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000666947948 493240688 /nfs/dbraw/zinc/24/06/88/493240688.db2.gz HAOHBCXTLOTIQV-GVDBMIGSSA-N 2 2 366.506 0.338 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874813 493261372 /nfs/dbraw/zinc/26/13/72/493261372.db2.gz KQMLXFDHZALGQQ-MRXNPFEDSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874813 493261375 /nfs/dbraw/zinc/26/13/75/493261375.db2.gz KQMLXFDHZALGQQ-MRXNPFEDSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874813 493261377 /nfs/dbraw/zinc/26/13/77/493261377.db2.gz KQMLXFDHZALGQQ-MRXNPFEDSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874813 493261380 /nfs/dbraw/zinc/26/13/80/493261380.db2.gz KQMLXFDHZALGQQ-MRXNPFEDSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000682012516 493264000 /nfs/dbraw/zinc/26/40/00/493264000.db2.gz QVDJZIGXKXXEGH-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000682012516 493264003 /nfs/dbraw/zinc/26/40/03/493264003.db2.gz QVDJZIGXKXXEGH-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000682012516 493264006 /nfs/dbraw/zinc/26/40/06/493264006.db2.gz QVDJZIGXKXXEGH-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000682012516 493264008 /nfs/dbraw/zinc/26/40/08/493264008.db2.gz QVDJZIGXKXXEGH-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP CC1(C)CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1CCO ZINC000682065218 493267530 /nfs/dbraw/zinc/26/75/30/493267530.db2.gz QIWKNHDMJGTRKU-UHFFFAOYSA-N 2 2 371.441 0.726 20 0 FCADLP CC1(C)CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1CCO ZINC000682065218 493267531 /nfs/dbraw/zinc/26/75/31/493267531.db2.gz QIWKNHDMJGTRKU-UHFFFAOYSA-N 2 2 371.441 0.726 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667337594 493277221 /nfs/dbraw/zinc/27/72/21/493277221.db2.gz LVKQTQOIFFFZCZ-SFHVURJKSA-N 2 2 368.522 0.443 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCO1 ZINC000667404236 493283468 /nfs/dbraw/zinc/28/34/68/493283468.db2.gz HQAHVOINJRRIDH-DOMZBBRYSA-N 2 2 357.414 0.600 20 0 FCADLP CC(C)n1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269265 493283970 /nfs/dbraw/zinc/28/39/70/493283970.db2.gz IOQTUMPJUCDPNY-CQSZACIVSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682269265 493283972 /nfs/dbraw/zinc/28/39/72/493283972.db2.gz IOQTUMPJUCDPNY-CQSZACIVSA-N 2 2 362.478 0.687 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270934 493284723 /nfs/dbraw/zinc/28/47/23/493284723.db2.gz PRKDLMGNHYAGPL-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270934 493284725 /nfs/dbraw/zinc/28/47/25/493284725.db2.gz PRKDLMGNHYAGPL-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000659750653 493286141 /nfs/dbraw/zinc/28/61/41/493286141.db2.gz PDSGKEXFJBRBBY-GJZGRUSLSA-N 2 2 362.474 0.625 20 0 FCADLP CN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682500198 493304518 /nfs/dbraw/zinc/30/45/18/493304518.db2.gz PZOHFWSNDSBKJY-VYDXJSESSA-N 2 2 350.507 0.905 20 0 FCADLP CN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682500198 493304521 /nfs/dbraw/zinc/30/45/21/493304521.db2.gz PZOHFWSNDSBKJY-VYDXJSESSA-N 2 2 350.507 0.905 20 0 FCADLP CN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682500189 493304680 /nfs/dbraw/zinc/30/46/80/493304680.db2.gz PZOHFWSNDSBKJY-INMHGKMJSA-N 2 2 350.507 0.905 20 0 FCADLP CN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682500189 493304682 /nfs/dbraw/zinc/30/46/82/493304682.db2.gz PZOHFWSNDSBKJY-INMHGKMJSA-N 2 2 350.507 0.905 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CN3CC[NH+](C)CC3)c2)CC1 ZINC000673234806 493306437 /nfs/dbraw/zinc/30/64/37/493306437.db2.gz YJTSELUIIANJJP-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000673290111 493313297 /nfs/dbraw/zinc/31/32/97/493313297.db2.gz ZLHHMHOHKXVIIE-OLMNPRSZSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000673290111 493313299 /nfs/dbraw/zinc/31/32/99/493313299.db2.gz ZLHHMHOHKXVIIE-OLMNPRSZSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000673290111 493313301 /nfs/dbraw/zinc/31/33/01/493313301.db2.gz ZLHHMHOHKXVIIE-OLMNPRSZSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)[C@H]2C1 ZINC000673290111 493313303 /nfs/dbraw/zinc/31/33/03/493313303.db2.gz ZLHHMHOHKXVIIE-OLMNPRSZSA-N 2 2 356.470 0.842 20 0 FCADLP CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1[nH]cc[nH+]1 ZINC000660144336 493330233 /nfs/dbraw/zinc/33/02/33/493330233.db2.gz TYOTZSXRQNSENW-UHFFFAOYSA-N 2 2 357.458 0.990 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656900 493370589 /nfs/dbraw/zinc/37/05/89/493370589.db2.gz AWKGIJMTPLQPAA-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656900 493370592 /nfs/dbraw/zinc/37/05/92/493370592.db2.gz AWKGIJMTPLQPAA-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656900 493370595 /nfs/dbraw/zinc/37/05/95/493370595.db2.gz AWKGIJMTPLQPAA-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656900 493370599 /nfs/dbraw/zinc/37/05/99/493370599.db2.gz AWKGIJMTPLQPAA-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000683830969 493372448 /nfs/dbraw/zinc/37/24/48/493372448.db2.gz BSQONKNIPPXLJF-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000683830969 493372449 /nfs/dbraw/zinc/37/24/49/493372449.db2.gz BSQONKNIPPXLJF-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000683830969 493372451 /nfs/dbraw/zinc/37/24/51/493372451.db2.gz BSQONKNIPPXLJF-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000683830969 493372453 /nfs/dbraw/zinc/37/24/53/493372453.db2.gz BSQONKNIPPXLJF-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000660694554 493373234 /nfs/dbraw/zinc/37/32/34/493373234.db2.gz DZCLQIWNQQHEAG-JKSUJKDBSA-N 2 2 368.522 0.171 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)CC1 ZINC000660694263 493373359 /nfs/dbraw/zinc/37/33/59/493373359.db2.gz YSCJQULALPVPDR-MRXNPFEDSA-N 2 2 368.522 0.138 20 0 FCADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660691003 493373419 /nfs/dbraw/zinc/37/34/19/493373419.db2.gz QPMMHQCHEWJLQV-SJLPKXTDSA-N 2 2 366.506 0.603 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668549021 493375141 /nfs/dbraw/zinc/37/51/41/493375141.db2.gz SCULMDVYEHTZNP-HNNXBMFYSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668549021 493375144 /nfs/dbraw/zinc/37/51/44/493375144.db2.gz SCULMDVYEHTZNP-HNNXBMFYSA-N 2 2 371.485 0.899 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4NC(=O)CC[C@H]4C3)C2)CC1 ZINC000660711717 493375525 /nfs/dbraw/zinc/37/55/25/493375525.db2.gz GCRDRXMFLYNZEZ-YQQAZPJKSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4NC(=O)CC[C@H]4C3)C2)CC1 ZINC000660711717 493375528 /nfs/dbraw/zinc/37/55/28/493375528.db2.gz GCRDRXMFLYNZEZ-YQQAZPJKSA-N 2 2 363.506 0.465 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660831752 493383673 /nfs/dbraw/zinc/38/36/73/493383673.db2.gz VEXKKBWGJVOGGH-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660831752 493383674 /nfs/dbraw/zinc/38/36/74/493383674.db2.gz VEXKKBWGJVOGGH-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661089387 493408365 /nfs/dbraw/zinc/40/83/65/493408365.db2.gz MVVSQSURFHEOTB-KRWDZBQOSA-N 2 2 368.522 0.500 20 0 FCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](CO)Cc1ccccc1 ZINC000661095270 493408512 /nfs/dbraw/zinc/40/85/12/493408512.db2.gz YNBUITNBIZVVMU-GOSISDBHSA-N 2 2 363.502 0.749 20 0 FCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](CO)Cc1ccccc1 ZINC000661095270 493408513 /nfs/dbraw/zinc/40/85/13/493408513.db2.gz YNBUITNBIZVVMU-GOSISDBHSA-N 2 2 363.502 0.749 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000661152921 493412943 /nfs/dbraw/zinc/41/29/43/493412943.db2.gz CHAAPMHXBRNGJB-OFQRWUPVSA-N 2 2 362.478 0.723 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000661152921 493412944 /nfs/dbraw/zinc/41/29/44/493412944.db2.gz CHAAPMHXBRNGJB-OFQRWUPVSA-N 2 2 362.478 0.723 20 0 FCADLP COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000674500282 493422820 /nfs/dbraw/zinc/42/28/20/493422820.db2.gz UCSFSQSKFLJVJE-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP COC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000674500282 493422822 /nfs/dbraw/zinc/42/28/22/493422822.db2.gz UCSFSQSKFLJVJE-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3CCO4)C2)CC1 ZINC000684640085 493424984 /nfs/dbraw/zinc/42/49/84/493424984.db2.gz JBDSDOAXECUZRI-CQSZACIVSA-N 2 2 372.469 0.845 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3CCO4)C2)CC1 ZINC000684640085 493424986 /nfs/dbraw/zinc/42/49/86/493424986.db2.gz JBDSDOAXECUZRI-CQSZACIVSA-N 2 2 372.469 0.845 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1F ZINC000668889111 493429071 /nfs/dbraw/zinc/42/90/71/493429071.db2.gz RXZQAYGRWNCAMI-CZUORRHYSA-N 2 2 360.437 0.851 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618401 493453355 /nfs/dbraw/zinc/45/33/55/493453355.db2.gz AUMJLHCZGGERKM-AEFFLSMTSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618401 493453357 /nfs/dbraw/zinc/45/33/57/493453357.db2.gz AUMJLHCZGGERKM-AEFFLSMTSA-N 2 2 361.486 0.585 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2)CC1 ZINC000674928102 493460370 /nfs/dbraw/zinc/46/03/70/493460370.db2.gz UXZFUZYEWUYNFC-JQHSSLGASA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)C2)CC1 ZINC000674928102 493460372 /nfs/dbraw/zinc/46/03/72/493460372.db2.gz UXZFUZYEWUYNFC-JQHSSLGASA-N 2 2 366.506 0.744 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000685276300 493470711 /nfs/dbraw/zinc/47/07/11/493470711.db2.gz WZNZTMJJZVGMPO-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000685276300 493470714 /nfs/dbraw/zinc/47/07/14/493470714.db2.gz WZNZTMJJZVGMPO-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276300 493470716 /nfs/dbraw/zinc/47/07/16/493470716.db2.gz WZNZTMJJZVGMPO-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276300 493470719 /nfs/dbraw/zinc/47/07/19/493470719.db2.gz WZNZTMJJZVGMPO-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685277274 493472257 /nfs/dbraw/zinc/47/22/57/493472257.db2.gz MQNYQVWAAGRDQM-HZPDHXFCSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000685277274 493472260 /nfs/dbraw/zinc/47/22/60/493472260.db2.gz MQNYQVWAAGRDQM-HZPDHXFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301329 493473206 /nfs/dbraw/zinc/47/32/06/493473206.db2.gz FWMCRZVSMXVHMV-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301329 493473207 /nfs/dbraw/zinc/47/32/07/493473207.db2.gz FWMCRZVSMXVHMV-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301329 493473210 /nfs/dbraw/zinc/47/32/10/493473210.db2.gz FWMCRZVSMXVHMV-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301329 493473211 /nfs/dbraw/zinc/47/32/11/493473211.db2.gz FWMCRZVSMXVHMV-LJIGWXMPSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000669182348 493473489 /nfs/dbraw/zinc/47/34/89/493473489.db2.gz GFPZJKICBRJVCT-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661986768 493480958 /nfs/dbraw/zinc/48/09/58/493480958.db2.gz JFFBAAIZMKGTGY-KBAYOESNSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000685344577 493482160 /nfs/dbraw/zinc/48/21/60/493482160.db2.gz YTHHXZMMUZFJQH-SZMVWBNQSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000685344577 493482162 /nfs/dbraw/zinc/48/21/62/493482162.db2.gz YTHHXZMMUZFJQH-SZMVWBNQSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344577 493482163 /nfs/dbraw/zinc/48/21/63/493482163.db2.gz YTHHXZMMUZFJQH-SZMVWBNQSA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344577 493482165 /nfs/dbraw/zinc/48/21/65/493482165.db2.gz YTHHXZMMUZFJQH-SZMVWBNQSA-N 2 2 374.485 0.337 20 0 FCADLP COC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685439101 493492265 /nfs/dbraw/zinc/49/22/65/493492265.db2.gz IUTSCTRONDPVIA-MRXNPFEDSA-N 2 2 366.506 0.299 20 0 FCADLP COC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000685439101 493492266 /nfs/dbraw/zinc/49/22/66/493492266.db2.gz IUTSCTRONDPVIA-MRXNPFEDSA-N 2 2 366.506 0.299 20 0 FCADLP COCCCn1nccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000685453093 493493641 /nfs/dbraw/zinc/49/36/41/493493641.db2.gz UDYKSNJIITWMIT-UHFFFAOYSA-N 2 2 363.506 0.906 20 0 FCADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662286319 493502865 /nfs/dbraw/zinc/50/28/65/493502865.db2.gz ZKSHQJCACFHTPM-ZDUSSCGKSA-N 2 2 351.447 0.585 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000662291490 493503861 /nfs/dbraw/zinc/50/38/61/493503861.db2.gz UVBIQAOQIJKVDT-DLBZAZTESA-N 2 2 371.547 0.734 20 0 FCADLP C[NH+](C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568539 493503846 /nfs/dbraw/zinc/50/38/46/493503846.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568539 493503848 /nfs/dbraw/zinc/50/38/48/493503848.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568539 493503850 /nfs/dbraw/zinc/50/38/50/493503850.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568539 493503852 /nfs/dbraw/zinc/50/38/52/493503852.db2.gz HPJOCEIUWDFVSN-OALUTQOASA-N 3 2 368.566 0.293 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)CC(C)(C)[NH3+] ZINC000662293137 493504970 /nfs/dbraw/zinc/50/49/70/493504970.db2.gz OQRHEMKCJCDEKC-UHFFFAOYSA-N 2 2 360.502 0.935 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669491571 493507290 /nfs/dbraw/zinc/50/72/90/493507290.db2.gz DEAUFLPKANYDHG-IRXDYDNUSA-N 2 2 363.506 0.182 20 0 FCADLP C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000662365847 493509617 /nfs/dbraw/zinc/50/96/17/493509617.db2.gz YGSKETLJRLFGCW-CYBMUJFWSA-N 2 2 355.446 0.886 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(-n2cnnn2)c1 ZINC000675885861 493510327 /nfs/dbraw/zinc/51/03/27/493510327.db2.gz JBYFTQQZHPQMNK-FUHWJXTLSA-N 2 2 371.489 0.719 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542759 493510435 /nfs/dbraw/zinc/51/04/35/493510435.db2.gz DZZXIAWNJGXIHB-CVEARBPZSA-N 2 2 374.489 0.689 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)ccn12 ZINC000662401885 493512825 /nfs/dbraw/zinc/51/28/25/493512825.db2.gz SOZVVAYOJDVZPS-INIZCTEOSA-N 2 2 355.442 0.927 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnn(C)c2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685786088 493515116 /nfs/dbraw/zinc/51/51/16/493515116.db2.gz XHDWEMPVUCMTEF-HOCLYGCPSA-N 2 2 360.506 0.547 20 0 FCADLP CN(C(=O)[C@H]1CCc2nnn(C)c2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685786088 493515118 /nfs/dbraw/zinc/51/51/18/493515118.db2.gz XHDWEMPVUCMTEF-HOCLYGCPSA-N 2 2 360.506 0.547 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669657693 493519020 /nfs/dbraw/zinc/51/90/20/493519020.db2.gz ZEDIQESSVCKHBR-IKGGRYGDSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669657693 493519024 /nfs/dbraw/zinc/51/90/24/493519024.db2.gz ZEDIQESSVCKHBR-IKGGRYGDSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662497763 493521207 /nfs/dbraw/zinc/52/12/07/493521207.db2.gz XFJSNPPYPZSSNS-LSDHHAIUSA-N 2 2 374.489 0.255 20 0 FCADLP [NH3+]C1(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000662649568 493529689 /nfs/dbraw/zinc/52/96/89/493529689.db2.gz IHSLGNBPDBQQLF-UHFFFAOYSA-N 2 2 359.474 0.898 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662697615 493532707 /nfs/dbraw/zinc/53/27/07/493532707.db2.gz GSDSCKIURWNNBR-WMZOPIPTSA-N 2 2 363.458 0.378 20 0 FCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000662718325 493534365 /nfs/dbraw/zinc/53/43/65/493534365.db2.gz YMNGAZVJSVZQHU-HNNXBMFYSA-N 2 2 359.474 0.788 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000662722252 493534626 /nfs/dbraw/zinc/53/46/26/493534626.db2.gz LTJIFRSXIYXTOT-SJORKVTESA-N 2 2 366.506 0.191 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676252698 493535870 /nfs/dbraw/zinc/53/58/70/493535870.db2.gz RWUDPSYOTFGWQC-GDBMZVCRSA-N 2 2 363.462 0.641 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676252698 493535873 /nfs/dbraw/zinc/53/58/73/493535873.db2.gz RWUDPSYOTFGWQC-GDBMZVCRSA-N 2 2 363.462 0.641 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC2)cc[nH+]1 ZINC000662795309 493542339 /nfs/dbraw/zinc/54/23/39/493542339.db2.gz WDJNVEXPTMXABJ-OAHLLOKOSA-N 2 2 370.461 0.654 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662801264 493542904 /nfs/dbraw/zinc/54/29/04/493542904.db2.gz VDFXZGZSGVXUTL-MSOLQXFVSA-N 2 2 360.458 0.653 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833695 493545355 /nfs/dbraw/zinc/54/53/55/493545355.db2.gz PTDCUVXTSXSMFC-WCVJEAGWSA-N 2 2 364.494 0.820 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833695 493545357 /nfs/dbraw/zinc/54/53/57/493545357.db2.gz PTDCUVXTSXSMFC-WCVJEAGWSA-N 2 2 364.494 0.820 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000676478412 493554250 /nfs/dbraw/zinc/55/42/50/493554250.db2.gz NLLQIYSMIQXVKM-ZDUSSCGKSA-N 2 2 374.445 0.903 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000676478412 493554251 /nfs/dbraw/zinc/55/42/51/493554251.db2.gz NLLQIYSMIQXVKM-ZDUSSCGKSA-N 2 2 374.445 0.903 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(CO)CCOCC3)C2)CC1 ZINC000676690307 493567017 /nfs/dbraw/zinc/56/70/17/493567017.db2.gz HUZQTFLVVGITPF-OAHLLOKOSA-N 2 2 354.495 0.243 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(CO)CCOCC3)C2)CC1 ZINC000676690307 493567019 /nfs/dbraw/zinc/56/70/19/493567019.db2.gz HUZQTFLVVGITPF-OAHLLOKOSA-N 2 2 354.495 0.243 20 0 FCADLP CCC[C@H](O)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000676750344 493569874 /nfs/dbraw/zinc/56/98/74/493569874.db2.gz VYLSRGKNXXFDOO-KRWDZBQOSA-N 2 2 368.522 0.234 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670502274 493575081 /nfs/dbraw/zinc/57/50/81/493575081.db2.gz SYXVSGKIQGNPHV-OAHLLOKOSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670502274 493575084 /nfs/dbraw/zinc/57/50/84/493575084.db2.gz SYXVSGKIQGNPHV-OAHLLOKOSA-N 2 2 354.495 0.202 20 0 FCADLP COc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504350 493575787 /nfs/dbraw/zinc/57/57/87/493575787.db2.gz OEAAZYPMEYQKNU-INIZCTEOSA-N 2 2 374.485 0.596 20 0 FCADLP COc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670504350 493575789 /nfs/dbraw/zinc/57/57/89/493575789.db2.gz OEAAZYPMEYQKNU-INIZCTEOSA-N 2 2 374.485 0.596 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000670535356 493577495 /nfs/dbraw/zinc/57/74/95/493577495.db2.gz WCHFZDKCHWWOJR-IHRRRGAJSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670535356 493577497 /nfs/dbraw/zinc/57/74/97/493577497.db2.gz WCHFZDKCHWWOJR-IHRRRGAJSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547183 493579705 /nfs/dbraw/zinc/57/97/05/493579705.db2.gz XQAWRCPOISMIGB-RDJZCZTQSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547183 493579707 /nfs/dbraw/zinc/57/97/07/493579707.db2.gz XQAWRCPOISMIGB-RDJZCZTQSA-N 2 2 373.501 0.886 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670643096 493584622 /nfs/dbraw/zinc/58/46/22/493584622.db2.gz XAOYKIXRBUVUNL-UHFFFAOYSA-N 2 2 364.409 0.694 20 0 FCADLP CC[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C[C@@H]1C ZINC000677152979 493586939 /nfs/dbraw/zinc/58/69/39/493586939.db2.gz LGUAGUQAEUBKGP-HNNXBMFYSA-N 2 2 367.519 0.548 20 0 FCADLP CC[N@H+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C[C@@H]1C ZINC000677152979 493586940 /nfs/dbraw/zinc/58/69/40/493586940.db2.gz LGUAGUQAEUBKGP-HNNXBMFYSA-N 2 2 367.519 0.548 20 0 FCADLP CN(Cc1cccs1)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000663511810 493593858 /nfs/dbraw/zinc/59/38/58/493593858.db2.gz GSEQSZFKJXKDSW-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP CSc1ccccc1NC(=O)CN(C)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000677265895 493593923 /nfs/dbraw/zinc/59/39/23/493593923.db2.gz BWBQIHNELBGWIL-OKILXGFUSA-N 2 2 362.499 0.957 20 0 FCADLP CSc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000677265895 493593924 /nfs/dbraw/zinc/59/39/24/493593924.db2.gz BWBQIHNELBGWIL-OKILXGFUSA-N 2 2 362.499 0.957 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000663523926 493594230 /nfs/dbraw/zinc/59/42/30/493594230.db2.gz LSQHLYSPFGZSMD-HRCADAONSA-N 2 2 361.421 0.965 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C[C@H](C)O1 ZINC000663551525 493596406 /nfs/dbraw/zinc/59/64/06/493596406.db2.gz FCDHZUNHEWQHGI-VVLHAWIVSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C[C@H](C)O1 ZINC000663551525 493596408 /nfs/dbraw/zinc/59/64/08/493596408.db2.gz FCDHZUNHEWQHGI-VVLHAWIVSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)CO1 ZINC000663551525 493596410 /nfs/dbraw/zinc/59/64/10/493596410.db2.gz FCDHZUNHEWQHGI-VVLHAWIVSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)CO1 ZINC000663551525 493596413 /nfs/dbraw/zinc/59/64/13/493596413.db2.gz FCDHZUNHEWQHGI-VVLHAWIVSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1CC[NH+](C)CC1 ZINC000670787873 493597375 /nfs/dbraw/zinc/59/73/75/493597375.db2.gz WXNOGHUYNFHSPK-CQSZACIVSA-N 2 2 357.458 0.840 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)C1CC[NH+](C)CC1 ZINC000670787872 493597414 /nfs/dbraw/zinc/59/74/14/493597414.db2.gz WXNOGHUYNFHSPK-AWEZNQCLSA-N 2 2 357.458 0.840 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663579397 493601042 /nfs/dbraw/zinc/60/10/42/493601042.db2.gz XVASHKWETWKKES-KRWDZBQOSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000663579397 493601043 /nfs/dbraw/zinc/60/10/43/493601043.db2.gz XVASHKWETWKKES-KRWDZBQOSA-N 2 2 353.511 0.129 20 0 FCADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000677443128 493601861 /nfs/dbraw/zinc/60/18/61/493601861.db2.gz MMRGTHAIXRVBOH-QGZVFWFLSA-N 2 2 353.507 0.794 20 0 FCADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000677443128 493601863 /nfs/dbraw/zinc/60/18/63/493601863.db2.gz MMRGTHAIXRVBOH-QGZVFWFLSA-N 2 2 353.507 0.794 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663615535 493604344 /nfs/dbraw/zinc/60/43/44/493604344.db2.gz KPLXHBUHKCSSKA-HXUWFJFHSA-N 2 2 373.501 0.631 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670890777 493609516 /nfs/dbraw/zinc/60/95/16/493609516.db2.gz ZOUCJNCXKMDURX-KRWDZBQOSA-N 2 2 371.485 0.899 20 0 FCADLP COCCN1C(=O)C[C@H]([NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000677649274 493611357 /nfs/dbraw/zinc/61/13/57/493611357.db2.gz PUIRNZKAWGKULI-KRWDZBQOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[NH+](C)CCO2)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000663730423 493615296 /nfs/dbraw/zinc/61/52/96/493615296.db2.gz PXVKKGHAGFAKND-QKPAOTATSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[NH+](C)CCO2)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000663730423 493615297 /nfs/dbraw/zinc/61/52/97/493615297.db2.gz PXVKKGHAGFAKND-QKPAOTATSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cn1)[C@H]1C[NH+](C)CCO1 ZINC000663730423 493615299 /nfs/dbraw/zinc/61/52/99/493615299.db2.gz PXVKKGHAGFAKND-QKPAOTATSA-N 2 2 364.494 0.739 20 0 FCADLP C[C@@H](Nc1cnc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cn1)[C@H]1C[NH+](C)CCO1 ZINC000663730423 493615300 /nfs/dbraw/zinc/61/53/00/493615300.db2.gz PXVKKGHAGFAKND-QKPAOTATSA-N 2 2 364.494 0.739 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cn2c1 ZINC000663764254 493616847 /nfs/dbraw/zinc/61/68/47/493616847.db2.gz VZVQCZCXUUULOQ-UHFFFAOYSA-N 2 2 360.462 0.804 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986932 493620746 /nfs/dbraw/zinc/62/07/46/493620746.db2.gz ZROLOGWCHWZVNY-AEFFLSMTSA-N 2 2 366.506 0.252 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986932 493620749 /nfs/dbraw/zinc/62/07/49/493620749.db2.gz ZROLOGWCHWZVNY-AEFFLSMTSA-N 2 2 366.506 0.252 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CCO1 ZINC000663899731 493624097 /nfs/dbraw/zinc/62/40/97/493624097.db2.gz NIJOEVFKUWTNMC-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CCO1 ZINC000663899731 493624100 /nfs/dbraw/zinc/62/41/00/493624100.db2.gz NIJOEVFKUWTNMC-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCSC1 ZINC000671071737 493629456 /nfs/dbraw/zinc/62/94/56/493629456.db2.gz NPGABVBKLODXFO-YOEHRIQHSA-N 2 2 365.503 0.600 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000664007639 493630189 /nfs/dbraw/zinc/63/01/89/493630189.db2.gz RXEYJIAZMPANLO-YQQAZPJKSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000664007639 493630190 /nfs/dbraw/zinc/63/01/90/493630190.db2.gz RXEYJIAZMPANLO-YQQAZPJKSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000664008530 493630236 /nfs/dbraw/zinc/63/02/36/493630236.db2.gz HUBDLBLHKFFDKR-OKZBNKHCSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)[NH+](C)C ZINC000664244582 493647544 /nfs/dbraw/zinc/64/75/44/493647544.db2.gz RPVGAARDOMNVON-CQSZACIVSA-N 2 2 355.508 0.770 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CC1 ZINC000678514425 493648148 /nfs/dbraw/zinc/64/81/48/493648148.db2.gz CRQSDXFPOUFBQZ-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1C ZINC000664350453 493654821 /nfs/dbraw/zinc/65/48/21/493654821.db2.gz LXPDCEPCCJWNDE-OAHLLOKOSA-N 2 2 364.494 0.882 20 0 FCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1OCC(=O)NC ZINC000678744346 493658227 /nfs/dbraw/zinc/65/82/27/493658227.db2.gz FYZSKKBNBFUBFH-MRXNPFEDSA-N 2 2 362.474 0.626 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)[nH+]c2c1 ZINC000671358208 493659755 /nfs/dbraw/zinc/65/97/55/493659755.db2.gz FQGFPAWMQOKUTK-HIFRSBDPSA-N 2 2 359.430 0.094 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)[nH+]c2c1 ZINC000671358208 493659758 /nfs/dbraw/zinc/65/97/58/493659758.db2.gz FQGFPAWMQOKUTK-HIFRSBDPSA-N 2 2 359.430 0.094 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671364936 493660942 /nfs/dbraw/zinc/66/09/42/493660942.db2.gz GAAPFWZBGQCFKG-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671364936 493660944 /nfs/dbraw/zinc/66/09/44/493660944.db2.gz GAAPFWZBGQCFKG-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000664489426 493662697 /nfs/dbraw/zinc/66/26/97/493662697.db2.gz BBMRVILJAFDBET-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000664489426 493662698 /nfs/dbraw/zinc/66/26/98/493662698.db2.gz BBMRVILJAFDBET-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396914 493665200 /nfs/dbraw/zinc/66/52/00/493665200.db2.gz VAWTWAKDBLYVCZ-KSSFIOAISA-N 2 2 356.470 0.717 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396914 493665201 /nfs/dbraw/zinc/66/52/01/493665201.db2.gz VAWTWAKDBLYVCZ-KSSFIOAISA-N 2 2 356.470 0.717 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664760791 493681748 /nfs/dbraw/zinc/68/17/48/493681748.db2.gz XFJFWFUPMARENZ-KRWDZBQOSA-N 2 2 366.506 0.748 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679501319 493682845 /nfs/dbraw/zinc/68/28/45/493682845.db2.gz FBLRCYJDVBATDH-UHFFFAOYSA-N 2 2 353.386 0.917 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679507076 493684442 /nfs/dbraw/zinc/68/44/42/493684442.db2.gz TWCLVNJULFWULK-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679507076 493684445 /nfs/dbraw/zinc/68/44/45/493684445.db2.gz TWCLVNJULFWULK-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000671589147 493693232 /nfs/dbraw/zinc/69/32/32/493693232.db2.gz BSIXDDFCQWYYOK-SQWLQELKSA-N 2 2 362.478 0.723 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000671589147 493693235 /nfs/dbraw/zinc/69/32/35/493693235.db2.gz BSIXDDFCQWYYOK-SQWLQELKSA-N 2 2 362.478 0.723 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CO)C3CCOCC3)C2)CC1 ZINC000679869877 493698296 /nfs/dbraw/zinc/69/82/96/493698296.db2.gz JWZHOUZXNVCQMN-WBVHZDCISA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CO)C3CCOCC3)C2)CC1 ZINC000679869877 493698297 /nfs/dbraw/zinc/69/82/97/493698297.db2.gz JWZHOUZXNVCQMN-WBVHZDCISA-N 2 2 354.495 0.242 20 0 FCADLP O=C(C[NH2+][C@@H](CO)C1CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000679872102 493698306 /nfs/dbraw/zinc/69/83/06/493698306.db2.gz KQLLDAPITXFQLS-KRWDZBQOSA-N 2 2 367.515 0.769 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671820345 493707648 /nfs/dbraw/zinc/70/76/48/493707648.db2.gz MECLEGDNRPZESH-CQSZACIVSA-N 2 2 352.504 0.849 20 0 FCADLP CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368038 493712635 /nfs/dbraw/zinc/71/26/35/493712635.db2.gz BSDKBAZOADCTKE-HUUCEWRRSA-N 2 2 353.511 0.696 20 0 FCADLP CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368038 493712638 /nfs/dbraw/zinc/71/26/38/493712638.db2.gz BSDKBAZOADCTKE-HUUCEWRRSA-N 2 2 353.511 0.696 20 0 FCADLP C[C@@H]1COCCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671950607 493717649 /nfs/dbraw/zinc/71/76/49/493717649.db2.gz QIJYLYNLJNTIAE-OAHLLOKOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960471 493718525 /nfs/dbraw/zinc/71/85/25/493718525.db2.gz WSBZCKAPXWKUOD-YJBOKZPZSA-N 2 2 374.485 0.374 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960471 493718527 /nfs/dbraw/zinc/71/85/27/493718527.db2.gz WSBZCKAPXWKUOD-YJBOKZPZSA-N 2 2 374.485 0.374 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672010013 493724066 /nfs/dbraw/zinc/72/40/66/493724066.db2.gz AGRSAJGRNKJPHT-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000672008792 493724190 /nfs/dbraw/zinc/72/41/90/493724190.db2.gz WKVKTUFFDBXHNL-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000672008792 493724191 /nfs/dbraw/zinc/72/41/91/493724191.db2.gz WKVKTUFFDBXHNL-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP CCNc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000672207444 493742695 /nfs/dbraw/zinc/74/26/95/493742695.db2.gz CDQVUOVIGQVHHN-ZIAGYGMSSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000672207443 493743091 /nfs/dbraw/zinc/74/30/91/493743091.db2.gz CDQVUOVIGQVHHN-UONOGXRCSA-N 2 2 363.510 0.971 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217529 493750879 /nfs/dbraw/zinc/75/08/79/493750879.db2.gz QFLOPDUDFVGGGT-CQSZACIVSA-N 2 2 363.462 0.688 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217529 493750880 /nfs/dbraw/zinc/75/08/80/493750880.db2.gz QFLOPDUDFVGGGT-CQSZACIVSA-N 2 2 363.462 0.688 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672307005 493752831 /nfs/dbraw/zinc/75/28/31/493752831.db2.gz IMRNDLHZYKZRHX-WMZOPIPTSA-N 2 2 356.470 0.890 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672307005 493752832 /nfs/dbraw/zinc/75/28/32/493752832.db2.gz IMRNDLHZYKZRHX-WMZOPIPTSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000672307005 493752833 /nfs/dbraw/zinc/75/28/33/493752833.db2.gz IMRNDLHZYKZRHX-WMZOPIPTSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672307005 493752834 /nfs/dbraw/zinc/75/28/34/493752834.db2.gz IMRNDLHZYKZRHX-WMZOPIPTSA-N 2 2 356.470 0.890 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000672319638 493755969 /nfs/dbraw/zinc/75/59/69/493755969.db2.gz YIMLCKKSDICANF-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000672319638 493755971 /nfs/dbraw/zinc/75/59/71/493755971.db2.gz YIMLCKKSDICANF-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000672320264 493756584 /nfs/dbraw/zinc/75/65/84/493756584.db2.gz BZEXVKQGXBNZRM-HRCADAONSA-N 2 2 363.462 0.272 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC3(O)CCOCC3)C2)CC1 ZINC000672427634 493766906 /nfs/dbraw/zinc/76/69/06/493766906.db2.gz VZQPGJCSAMMQMB-HNNXBMFYSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC3(O)CCOCC3)C2)CC1 ZINC000672427634 493766908 /nfs/dbraw/zinc/76/69/08/493766908.db2.gz VZQPGJCSAMMQMB-HNNXBMFYSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410468523 534020763 /nfs/dbraw/zinc/02/07/63/534020763.db2.gz BSFGTFBAVVOVLP-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410468523 534020772 /nfs/dbraw/zinc/02/07/72/534020772.db2.gz BSFGTFBAVVOVLP-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410468523 534020778 /nfs/dbraw/zinc/02/07/78/534020778.db2.gz BSFGTFBAVVOVLP-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410468523 534020781 /nfs/dbraw/zinc/02/07/81/534020781.db2.gz BSFGTFBAVVOVLP-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000410430044 527343421 /nfs/dbraw/zinc/34/34/21/527343421.db2.gz BTCPRKMFSVMBBZ-CQSZACIVSA-N 2 2 363.462 0.378 20 0 FCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000410735706 527743764 /nfs/dbraw/zinc/74/37/64/527743764.db2.gz JXCPJBCCGBNJLN-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000410735706 527743771 /nfs/dbraw/zinc/74/37/71/527743771.db2.gz JXCPJBCCGBNJLN-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410946042 527892795 /nfs/dbraw/zinc/89/27/95/527892795.db2.gz OVIVZTJRISWVQV-ZACQAIPSSA-N 2 2 364.490 0.005 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410946042 527892799 /nfs/dbraw/zinc/89/27/99/527892799.db2.gz OVIVZTJRISWVQV-ZACQAIPSSA-N 2 2 364.490 0.005 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705052 527961143 /nfs/dbraw/zinc/96/11/43/527961143.db2.gz UFQACHRRSSEODQ-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705052 527961151 /nfs/dbraw/zinc/96/11/51/527961151.db2.gz UFQACHRRSSEODQ-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705052 527961156 /nfs/dbraw/zinc/96/11/56/527961156.db2.gz UFQACHRRSSEODQ-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000410705052 527961160 /nfs/dbraw/zinc/96/11/60/527961160.db2.gz UFQACHRRSSEODQ-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000410736797 528730554 /nfs/dbraw/zinc/73/05/54/528730554.db2.gz PLTBECBYEUYPNC-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000410736797 528730559 /nfs/dbraw/zinc/73/05/59/528730559.db2.gz PLTBECBYEUYPNC-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000410736798 528731407 /nfs/dbraw/zinc/73/14/07/528731407.db2.gz PLTBECBYEUYPNC-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000410736798 528731411 /nfs/dbraw/zinc/73/14/11/528731411.db2.gz PLTBECBYEUYPNC-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1)C(C)C ZINC000410471918 528887190 /nfs/dbraw/zinc/88/71/90/528887190.db2.gz HKZKBDSEJVTLKZ-UHFFFAOYSA-N 2 2 356.511 0.354 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000410922003 529029440 /nfs/dbraw/zinc/02/94/40/529029440.db2.gz UEJCQIUOUMJHRW-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000410922003 529029448 /nfs/dbraw/zinc/02/94/48/529029448.db2.gz UEJCQIUOUMJHRW-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411017920 529058121 /nfs/dbraw/zinc/05/81/21/529058121.db2.gz CNRUWZKLHKJLPS-MRXNPFEDSA-N 2 2 359.474 0.671 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411017920 529058126 /nfs/dbraw/zinc/05/81/26/529058126.db2.gz CNRUWZKLHKJLPS-MRXNPFEDSA-N 2 2 359.474 0.671 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410953520 529119003 /nfs/dbraw/zinc/11/90/03/529119003.db2.gz LMCRNALFPMNPQQ-HOTGVXAUSA-N 2 2 372.473 0.088 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@@H+]1CCOC ZINC000410474678 529352669 /nfs/dbraw/zinc/35/26/69/529352669.db2.gz LJOWEEGCJXNDQC-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@H+]1CCOC ZINC000410474678 529352671 /nfs/dbraw/zinc/35/26/71/529352671.db2.gz LJOWEEGCJXNDQC-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000410474678 529352672 /nfs/dbraw/zinc/35/26/72/529352672.db2.gz LJOWEEGCJXNDQC-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000410474678 529352674 /nfs/dbraw/zinc/35/26/74/529352674.db2.gz LJOWEEGCJXNDQC-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419972269 535068440 /nfs/dbraw/zinc/06/84/40/535068440.db2.gz HKQNIXLDVDRWEU-OTIVFRFGSA-N 2 2 358.486 0.944 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000441014817 535156939 /nfs/dbraw/zinc/15/69/39/535156939.db2.gz JWIXASQYAQPJQR-SFHVURJKSA-N 2 2 352.523 0.772 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@H]1CC[NH2+]C1 ZINC000423658300 535187628 /nfs/dbraw/zinc/18/76/28/535187628.db2.gz FPNWHWAHHUWIED-AEFFLSMTSA-N 2 2 373.501 0.887 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@@H+]1C ZINC000423637167 535209874 /nfs/dbraw/zinc/20/98/74/535209874.db2.gz GVURKCUGWAWSPT-IAGOWNOFSA-N 2 2 359.474 0.353 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@H+]1C ZINC000423637167 535209880 /nfs/dbraw/zinc/20/98/80/535209880.db2.gz GVURKCUGWAWSPT-IAGOWNOFSA-N 2 2 359.474 0.353 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CC1 ZINC000415315375 536416282 /nfs/dbraw/zinc/41/62/82/536416282.db2.gz ZISXBMGFPNITED-UHFFFAOYSA-N 2 2 373.501 0.570 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000419208795 536417116 /nfs/dbraw/zinc/41/71/16/536417116.db2.gz RWCVKUMODMMVFK-INIZCTEOSA-N 2 2 359.474 0.754 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419943132 536450109 /nfs/dbraw/zinc/45/01/09/536450109.db2.gz GWCUNCNTBGGORQ-ZIAGYGMSSA-N 2 2 363.462 0.099 20 0 FCADLP CO[C@H](C[NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423744411 536555883 /nfs/dbraw/zinc/55/58/83/536555883.db2.gz LAULOTIPVFBFET-CQSZACIVSA-N 2 2 351.838 0.606 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427305884 536584889 /nfs/dbraw/zinc/58/48/89/536584889.db2.gz YGHPRODKUREWRZ-DLBZAZTESA-N 2 2 368.522 0.452 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC(=O)NC1CCCCC1)CCO2 ZINC000592185542 546619805 /nfs/dbraw/zinc/61/98/05/546619805.db2.gz XSSKWNCPBWPVGY-UHFFFAOYSA-N 2 2 352.479 0.942 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)CCO2 ZINC000592185542 546619807 /nfs/dbraw/zinc/61/98/07/546619807.db2.gz XSSKWNCPBWPVGY-UHFFFAOYSA-N 2 2 352.479 0.942 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592789816 546665948 /nfs/dbraw/zinc/66/59/48/546665948.db2.gz BDFAQGCKCIWXDL-BDXSIMOUSA-N 2 2 354.539 0.872 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592789816 546665951 /nfs/dbraw/zinc/66/59/51/546665951.db2.gz BDFAQGCKCIWXDL-BDXSIMOUSA-N 2 2 354.539 0.872 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000594334085 546783382 /nfs/dbraw/zinc/78/33/82/546783382.db2.gz DUDOSFSWDOACOC-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000594334085 546783388 /nfs/dbraw/zinc/78/33/88/546783388.db2.gz DUDOSFSWDOACOC-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940189 546872480 /nfs/dbraw/zinc/87/24/80/546872480.db2.gz PCMFIQKZAVWGQG-YWPYICTPSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647940189 546872483 /nfs/dbraw/zinc/87/24/83/546872483.db2.gz PCMFIQKZAVWGQG-YWPYICTPSA-N 2 2 354.476 0.720 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418506391 546907085 /nfs/dbraw/zinc/90/70/85/546907085.db2.gz GKLOFSOYLWEFMF-UHFFFAOYSA-N 2 2 353.511 0.572 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC000547996821 547057940 /nfs/dbraw/zinc/05/79/40/547057940.db2.gz AHNZGPVGSSVRRN-UHFFFAOYSA-N 2 2 354.392 0.669 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000549940486 547075527 /nfs/dbraw/zinc/07/55/27/547075527.db2.gz KDZOWCDIDUBQJJ-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000549978669 547075854 /nfs/dbraw/zinc/07/58/54/547075854.db2.gz SLNNUHQQERKEJV-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000549978669 547075858 /nfs/dbraw/zinc/07/58/58/547075858.db2.gz SLNNUHQQERKEJV-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000550645970 547093283 /nfs/dbraw/zinc/09/32/83/547093283.db2.gz QWUJIMPTSGKKLL-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000550645970 547093287 /nfs/dbraw/zinc/09/32/87/547093287.db2.gz QWUJIMPTSGKKLL-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000551074152 547124690 /nfs/dbraw/zinc/12/46/90/547124690.db2.gz MKDMTBMVPNMKOL-MRXNPFEDSA-N 2 2 356.511 0.448 20 0 FCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000553581039 547290485 /nfs/dbraw/zinc/29/04/85/547290485.db2.gz BADAYJNZVCGAFK-UHFFFAOYSA-N 2 2 353.467 0.689 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000553618540 547294594 /nfs/dbraw/zinc/29/45/94/547294594.db2.gz UFLCTSCTBSQGKV-FPCVCCKLSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000553618540 547294600 /nfs/dbraw/zinc/29/46/00/547294600.db2.gz UFLCTSCTBSQGKV-FPCVCCKLSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)(CNC(=O)N(CCO)CC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000478415513 547341168 /nfs/dbraw/zinc/34/11/68/547341168.db2.gz MXXTUXJHXXNTSM-UHFFFAOYSA-N 2 2 356.511 0.445 20 0 FCADLP C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552462002 547381189 /nfs/dbraw/zinc/38/11/89/547381189.db2.gz BQMUNKFEQXXSQF-LLVKDONJSA-N 2 2 359.459 0.865 20 0 FCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736247716 598531666 /nfs/dbraw/zinc/53/16/66/598531666.db2.gz GUVADPWZLHIGSM-MCIONIFRSA-N 2 2 359.482 0.957 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736851671 598767821 /nfs/dbraw/zinc/76/78/21/598767821.db2.gz KKXYVNBTTLHODB-OAHLLOKOSA-N 2 2 355.446 0.765 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736851671 598767823 /nfs/dbraw/zinc/76/78/23/598767823.db2.gz KKXYVNBTTLHODB-OAHLLOKOSA-N 2 2 355.446 0.765 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736849423 598814416 /nfs/dbraw/zinc/81/44/16/598814416.db2.gz UJECXADMAYEZSK-MRXNPFEDSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736849423 598814418 /nfs/dbraw/zinc/81/44/18/598814418.db2.gz UJECXADMAYEZSK-MRXNPFEDSA-N 2 2 355.446 0.463 20 0 FCADLP COCC[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000737008425 599486621 /nfs/dbraw/zinc/48/66/21/599486621.db2.gz SZGDAZYTLSTPMX-UHFFFAOYSA-N 2 2 356.434 0.715 20 0 FCADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822850445 606079322 /nfs/dbraw/zinc/07/93/22/606079322.db2.gz HQOXIVOEOMZUKP-ZIAGYGMSSA-N 2 2 352.402 0.996 20 0 FCADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822850445 606079327 /nfs/dbraw/zinc/07/93/27/606079327.db2.gz HQOXIVOEOMZUKP-ZIAGYGMSSA-N 2 2 352.402 0.996 20 0 FCADLP CC(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000956593824 674527261 /nfs/dbraw/zinc/52/72/61/674527261.db2.gz DBKREWNKEICFAA-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000956593824 674527264 /nfs/dbraw/zinc/52/72/64/674527264.db2.gz DBKREWNKEICFAA-IXDOHACOSA-N 2 2 350.507 0.728 20 0 FCADLP CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000956593704 674527293 /nfs/dbraw/zinc/52/72/93/674527293.db2.gz AGAMPXPTTZWKKB-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000956593704 674527296 /nfs/dbraw/zinc/52/72/96/674527296.db2.gz AGAMPXPTTZWKKB-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623959 607074043 /nfs/dbraw/zinc/07/40/43/607074043.db2.gz WHIOWEPNRCULGE-INIZCTEOSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623959 607074045 /nfs/dbraw/zinc/07/40/45/607074045.db2.gz WHIOWEPNRCULGE-INIZCTEOSA-N 2 2 355.446 0.605 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000899062490 665927354 /nfs/dbraw/zinc/92/73/54/665927354.db2.gz YMNWVORSXGBTBV-MRXNPFEDSA-N 2 2 369.531 0.769 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000899062490 665927357 /nfs/dbraw/zinc/92/73/57/665927357.db2.gz YMNWVORSXGBTBV-MRXNPFEDSA-N 2 2 369.531 0.769 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCn2cc(Cl)cn2)C1 ZINC000969960437 663211442 /nfs/dbraw/zinc/21/14/42/663211442.db2.gz ZGZYGPZZXUSXSJ-DVOMOZLQSA-N 2 2 369.897 0.692 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCn2cc(Cl)cn2)C1 ZINC000969960437 663211443 /nfs/dbraw/zinc/21/14/43/663211443.db2.gz ZGZYGPZZXUSXSJ-DVOMOZLQSA-N 2 2 369.897 0.692 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000891411379 663385661 /nfs/dbraw/zinc/38/56/61/663385661.db2.gz HSPGGURHBFMHGN-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891411261 663385743 /nfs/dbraw/zinc/38/57/43/663385743.db2.gz FEBCQXNJXFKKAS-USXIJHARSA-N 2 2 354.520 0.778 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891505911 663410341 /nfs/dbraw/zinc/41/03/41/663410341.db2.gz BLEJCVIXSLAPKT-RYUDHWBXSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891505911 663410343 /nfs/dbraw/zinc/41/03/43/663410343.db2.gz BLEJCVIXSLAPKT-RYUDHWBXSA-N 2 2 352.401 0.876 20 0 FCADLP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000891519196 663411497 /nfs/dbraw/zinc/41/14/97/663411497.db2.gz YFGCBYXVUUYJMN-HRCADAONSA-N 2 2 354.495 0.554 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891536033 663412200 /nfs/dbraw/zinc/41/22/00/663412200.db2.gz BGNPLCNLXXWHLV-RBVVOMGSSA-N 2 2 372.535 0.325 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000891738019 663432181 /nfs/dbraw/zinc/43/21/81/663432181.db2.gz FKWLDZSRAKRQTL-KRWDZBQOSA-N 2 2 355.527 0.232 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000891738019 663432182 /nfs/dbraw/zinc/43/21/82/663432182.db2.gz FKWLDZSRAKRQTL-KRWDZBQOSA-N 2 2 355.527 0.232 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934548656 663514724 /nfs/dbraw/zinc/51/47/24/663514724.db2.gz QUKDVUJMGBUBPD-KSZLIROESA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934548656 663514725 /nfs/dbraw/zinc/51/47/25/663514725.db2.gz QUKDVUJMGBUBPD-KSZLIROESA-N 2 2 353.507 0.960 20 0 FCADLP Cc1noc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037789 663867427 /nfs/dbraw/zinc/86/74/27/663867427.db2.gz BPGXCSXAYRWPIQ-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001024037789 663867428 /nfs/dbraw/zinc/86/74/28/663867428.db2.gz BPGXCSXAYRWPIQ-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892588260 664044634 /nfs/dbraw/zinc/04/46/34/664044634.db2.gz YJEBVRRYQYNBSQ-BJWYYQGGSA-N 2 2 354.495 0.507 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000892758020 664137479 /nfs/dbraw/zinc/13/74/79/664137479.db2.gz XLMZPASWUPOTRG-JKSUJKDBSA-N 2 2 352.479 0.261 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766777 664140143 /nfs/dbraw/zinc/14/01/43/664140143.db2.gz OFDXYGMQTHJBSG-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000892881162 664152447 /nfs/dbraw/zinc/15/24/47/664152447.db2.gz QNLZLOAWPBKGHK-CYBMUJFWSA-N 2 2 365.503 0.877 20 0 FCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892930101 664155677 /nfs/dbraw/zinc/15/56/77/664155677.db2.gz QVCCYBDIJGGBJH-AWEZNQCLSA-N 2 2 360.524 0.279 20 0 FCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892930101 664155679 /nfs/dbraw/zinc/15/56/79/664155679.db2.gz QVCCYBDIJGGBJH-AWEZNQCLSA-N 2 2 360.524 0.279 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929861 664155766 /nfs/dbraw/zinc/15/57/66/664155766.db2.gz MBFPLUXARARZBS-HZPDHXFCSA-N 2 2 372.535 0.374 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929861 664155768 /nfs/dbraw/zinc/15/57/68/664155768.db2.gz MBFPLUXARARZBS-HZPDHXFCSA-N 2 2 372.535 0.374 20 0 FCADLP CO[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000893266797 664224674 /nfs/dbraw/zinc/22/46/74/664224674.db2.gz JGMZTQYBAWEEJO-MRXNPFEDSA-N 2 2 354.495 0.951 20 0 FCADLP CC(C)[C@@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000123938512 664251387 /nfs/dbraw/zinc/25/13/87/664251387.db2.gz AYTZDBDACVWKSH-GOSISDBHSA-N 2 2 352.479 0.955 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916009 664277302 /nfs/dbraw/zinc/27/73/02/664277302.db2.gz ZDWWSUWJICEXSO-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916009 664277305 /nfs/dbraw/zinc/27/73/05/664277305.db2.gz ZDWWSUWJICEXSO-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000909403016 664452823 /nfs/dbraw/zinc/45/28/23/664452823.db2.gz VSTCLZNSYDMDSH-UHFFFAOYSA-N 2 2 350.511 0.591 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000726256319 664915440 /nfs/dbraw/zinc/91/54/40/664915440.db2.gz DURDNHJQAVMYNM-PMPSAXMXSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000726256319 664915441 /nfs/dbraw/zinc/91/54/41/664915441.db2.gz DURDNHJQAVMYNM-PMPSAXMXSA-N 2 2 356.511 0.894 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709281 664944376 /nfs/dbraw/zinc/94/43/76/664944376.db2.gz IKADVGAHYSOJAJ-KURKYZTESA-N 2 2 351.491 0.714 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709281 664944377 /nfs/dbraw/zinc/94/43/77/664944377.db2.gz IKADVGAHYSOJAJ-KURKYZTESA-N 2 2 351.491 0.714 20 0 FCADLP C[C@H]([NH2+]Cc1nncs1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111832 664986507 /nfs/dbraw/zinc/98/65/07/664986507.db2.gz PELWLUOVXAQRJY-VNHYZAJKSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@H]([NH2+]Cc1nncs1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111832 664986508 /nfs/dbraw/zinc/98/65/08/664986508.db2.gz PELWLUOVXAQRJY-VNHYZAJKSA-N 2 2 367.519 0.974 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983925956 665006683 /nfs/dbraw/zinc/00/66/83/665006683.db2.gz GARSXRYSWATORT-BTFPBAQTSA-N 2 2 366.487 0.432 20 0 FCADLP O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983925956 665006685 /nfs/dbraw/zinc/00/66/85/665006685.db2.gz GARSXRYSWATORT-BTFPBAQTSA-N 2 2 366.487 0.432 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012199 665013314 /nfs/dbraw/zinc/01/33/14/665013314.db2.gz DPTSEMWXHNPWOK-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012199 665013316 /nfs/dbraw/zinc/01/33/16/665013316.db2.gz DPTSEMWXHNPWOK-AAVRWANBSA-N 2 2 351.451 0.336 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896540967 665092640 /nfs/dbraw/zinc/09/26/40/665092640.db2.gz HDRRZFQFTPRXQD-USXIJHARSA-N 2 2 354.564 0.954 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896540967 665092642 /nfs/dbraw/zinc/09/26/42/665092642.db2.gz HDRRZFQFTPRXQD-USXIJHARSA-N 2 2 354.564 0.954 20 0 FCADLP CC(C)C[C@@H]1NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000054518737 665342705 /nfs/dbraw/zinc/34/27/05/665342705.db2.gz ROLVUIRUVTUGHX-INIZCTEOSA-N 2 2 352.479 0.955 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000906629465 666061108 /nfs/dbraw/zinc/06/11/08/666061108.db2.gz CWIIHIIFMJCLEL-OAHLLOKOSA-N 2 2 359.536 0.734 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000906629465 666061111 /nfs/dbraw/zinc/06/11/11/666061111.db2.gz CWIIHIIFMJCLEL-OAHLLOKOSA-N 2 2 359.536 0.734 20 0 FCADLP CC[N@H+](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC1 ZINC000069111075 666496311 /nfs/dbraw/zinc/49/63/11/666496311.db2.gz WDOUZLBSNBQYGN-UHFFFAOYSA-N 2 2 360.524 0.279 20 0 FCADLP CC[N@@H+](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC1 ZINC000069111075 666496314 /nfs/dbraw/zinc/49/63/14/666496314.db2.gz WDOUZLBSNBQYGN-UHFFFAOYSA-N 2 2 360.524 0.279 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031769207 666497018 /nfs/dbraw/zinc/49/70/18/666497018.db2.gz IDFZOMABGIQGJB-SJKOYZFVSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031769207 666497020 /nfs/dbraw/zinc/49/70/20/666497020.db2.gz IDFZOMABGIQGJB-SJKOYZFVSA-N 2 2 350.463 0.813 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181070123 666499103 /nfs/dbraw/zinc/49/91/03/666499103.db2.gz UMROPYDGKVCXEC-HNNXBMFYSA-N 2 2 351.451 0.894 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181070123 666499104 /nfs/dbraw/zinc/49/91/04/666499104.db2.gz UMROPYDGKVCXEC-HNNXBMFYSA-N 2 2 351.451 0.894 20 0 FCADLP CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991974153 666611104 /nfs/dbraw/zinc/61/11/04/666611104.db2.gz LEKPEZRONXNCHJ-NTDBWNAOSA-N 2 2 351.491 0.999 20 0 FCADLP CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991974153 666611107 /nfs/dbraw/zinc/61/11/07/666611107.db2.gz LEKPEZRONXNCHJ-NTDBWNAOSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174716562 666633994 /nfs/dbraw/zinc/63/39/94/666633994.db2.gz RRJQDZPHPPCEEJ-ZDUSSCGKSA-N 2 2 367.519 0.743 20 0 FCADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174716562 666633996 /nfs/dbraw/zinc/63/39/96/666633996.db2.gz RRJQDZPHPPCEEJ-ZDUSSCGKSA-N 2 2 367.519 0.743 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C[C@H](C)O1 ZINC000913881629 666662081 /nfs/dbraw/zinc/66/20/81/666662081.db2.gz DNNFREFRSKYFDC-BBWFWOEESA-N 2 2 359.536 0.891 20 0 FCADLP C[C@@H]1C[N@H+](CCCNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C[C@H](C)O1 ZINC000913881629 666662084 /nfs/dbraw/zinc/66/20/84/666662084.db2.gz DNNFREFRSKYFDC-BBWFWOEESA-N 2 2 359.536 0.891 20 0 FCADLP C[C@@H]1C[NH+](CCCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@H](C)O1 ZINC000913881629 666662090 /nfs/dbraw/zinc/66/20/90/666662090.db2.gz DNNFREFRSKYFDC-BBWFWOEESA-N 2 2 359.536 0.891 20 0 FCADLP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1csnn1 ZINC000996716369 666967491 /nfs/dbraw/zinc/96/74/91/666967491.db2.gz JMQCQAPJLSBLLG-LALPHHSUSA-N 2 2 353.492 0.899 20 0 FCADLP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1csnn1 ZINC000996716369 666967494 /nfs/dbraw/zinc/96/74/94/666967494.db2.gz JMQCQAPJLSBLLG-LALPHHSUSA-N 2 2 353.492 0.899 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nc(C(F)F)no3)C2)CC1 ZINC000918911773 667140959 /nfs/dbraw/zinc/14/09/59/667140959.db2.gz BESNEMIUXMWOEE-SNVBAGLBSA-N 2 2 358.393 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nc(C(F)F)no3)C2)CC1 ZINC000918911773 667140961 /nfs/dbraw/zinc/14/09/61/667140961.db2.gz BESNEMIUXMWOEE-SNVBAGLBSA-N 2 2 358.393 0.975 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000999492377 667241437 /nfs/dbraw/zinc/24/14/37/667241437.db2.gz APOVHZSLEKITFB-HZSPNIEDSA-N 2 2 351.451 0.432 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000999492377 667241440 /nfs/dbraw/zinc/24/14/40/667241440.db2.gz APOVHZSLEKITFB-HZSPNIEDSA-N 2 2 351.451 0.432 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681583 667264227 /nfs/dbraw/zinc/26/42/27/667264227.db2.gz ZIXFFZAJDZQKGQ-JKIFEVAISA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681583 667264232 /nfs/dbraw/zinc/26/42/32/667264232.db2.gz ZIXFFZAJDZQKGQ-JKIFEVAISA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000737043222 667556281 /nfs/dbraw/zinc/55/62/81/667556281.db2.gz GRULAHXCTMQHCX-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000737043222 667556283 /nfs/dbraw/zinc/55/62/83/667556283.db2.gz GRULAHXCTMQHCX-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)sn1 ZINC001003138942 667599121 /nfs/dbraw/zinc/59/91/21/667599121.db2.gz NCRXLVDLYNYGOF-IUODEOHRSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)sn1 ZINC001003138942 667599123 /nfs/dbraw/zinc/59/91/23/667599123.db2.gz NCRXLVDLYNYGOF-IUODEOHRSA-N 2 2 368.503 0.951 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001005416296 667740327 /nfs/dbraw/zinc/74/03/27/667740327.db2.gz SLGKPFWRTBOLEW-JKSUJKDBSA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001005416296 667740329 /nfs/dbraw/zinc/74/03/29/667740329.db2.gz SLGKPFWRTBOLEW-JKSUJKDBSA-N 2 2 359.536 0.684 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923334728 667826119 /nfs/dbraw/zinc/82/61/19/667826119.db2.gz XOVUOXYUCGCAPZ-HUUCEWRRSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923334728 667826123 /nfs/dbraw/zinc/82/61/23/667826123.db2.gz XOVUOXYUCGCAPZ-HUUCEWRRSA-N 2 2 351.422 0.462 20 0 FCADLP C[NH+](C)CCNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000762426237 667915659 /nfs/dbraw/zinc/91/56/59/667915659.db2.gz QLVDRZIWDSOJDN-UHFFFAOYSA-N 2 2 357.499 0.790 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763130302 667944384 /nfs/dbraw/zinc/94/43/84/667944384.db2.gz POEAKVVVBTXOBF-IAGOWNOFSA-N 2 2 370.563 0.816 20 0 FCADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000765417811 668006197 /nfs/dbraw/zinc/00/61/97/668006197.db2.gz WQABNGUTJVIFNW-GFCCVEGCSA-N 2 2 353.854 0.816 20 0 FCADLP O=C(OCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785657726 668723184 /nfs/dbraw/zinc/72/31/84/668723184.db2.gz BLDSHEDVBHCBHV-MRXNPFEDSA-N 2 2 353.463 0.196 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000786137918 668747175 /nfs/dbraw/zinc/74/71/75/668747175.db2.gz NBZZYEKBARBMNB-UHFFFAOYSA-N 2 2 350.444 0.573 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136188 668789024 /nfs/dbraw/zinc/78/90/24/668789024.db2.gz ATYIBEAMRHYTLP-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136188 668789025 /nfs/dbraw/zinc/78/90/25/668789025.db2.gz ATYIBEAMRHYTLP-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136188 668789026 /nfs/dbraw/zinc/78/90/26/668789026.db2.gz ATYIBEAMRHYTLP-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCO1 ZINC000787136188 668789028 /nfs/dbraw/zinc/78/90/28/668789028.db2.gz ATYIBEAMRHYTLP-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000787764206 668809179 /nfs/dbraw/zinc/80/91/79/668809179.db2.gz MJTCIANWVASDBH-IHRRRGAJSA-N 2 2 359.467 0.440 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372860 668875749 /nfs/dbraw/zinc/87/57/49/668875749.db2.gz UJRVELZCBXPKTE-CRAIPNDOSA-N 2 2 350.463 0.709 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372860 668875751 /nfs/dbraw/zinc/87/57/51/668875751.db2.gz UJRVELZCBXPKTE-CRAIPNDOSA-N 2 2 350.463 0.709 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000819022803 668971164 /nfs/dbraw/zinc/97/11/64/668971164.db2.gz ZURIJFZPXPEPPR-UHFFFAOYSA-N 2 2 358.552 0.626 20 0 FCADLP CS[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209741 669398356 /nfs/dbraw/zinc/39/83/56/669398356.db2.gz ARDKEQBHADFPIU-IJEWVQPXSA-N 2 2 368.547 0.671 20 0 FCADLP CS[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209741 669398361 /nfs/dbraw/zinc/39/83/61/669398361.db2.gz ARDKEQBHADFPIU-IJEWVQPXSA-N 2 2 368.547 0.671 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807051655 669463665 /nfs/dbraw/zinc/46/36/65/669463665.db2.gz LSOUMHYECZYVIC-GOEBONIOSA-N 2 2 370.563 0.871 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807051655 669463668 /nfs/dbraw/zinc/46/36/68/669463668.db2.gz LSOUMHYECZYVIC-GOEBONIOSA-N 2 2 370.563 0.871 20 0 FCADLP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000829115341 669684219 /nfs/dbraw/zinc/68/42/19/669684219.db2.gz CLVPZLLKTHGOEB-ZDUSSCGKSA-N 2 2 353.488 0.945 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000829115226 669684399 /nfs/dbraw/zinc/68/43/99/669684399.db2.gz APSVVFPBMLEPLQ-QGZVFWFLSA-N 2 2 365.499 0.499 20 0 FCADLP COC(=O)[C@H]1[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@@H]21 ZINC000813645487 669846567 /nfs/dbraw/zinc/84/65/67/669846567.db2.gz XPXJHQGHWNPZGL-ARLBYUKCSA-N 2 2 350.463 0.215 20 0 FCADLP COC(=O)[C@H]1[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@@H]21 ZINC000813645487 669846571 /nfs/dbraw/zinc/84/65/71/669846571.db2.gz XPXJHQGHWNPZGL-ARLBYUKCSA-N 2 2 350.463 0.215 20 0 FCADLP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000817907474 670047820 /nfs/dbraw/zinc/04/78/20/670047820.db2.gz PMHRENFQOWPENR-BBRMVZONSA-N 2 2 354.472 0.862 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821861 671151672 /nfs/dbraw/zinc/15/16/72/671151672.db2.gz WJUUZWVIJKZAFJ-HOTGVXAUSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821861 671151677 /nfs/dbraw/zinc/15/16/77/671151677.db2.gz WJUUZWVIJKZAFJ-HOTGVXAUSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821861 671151682 /nfs/dbraw/zinc/15/16/82/671151682.db2.gz WJUUZWVIJKZAFJ-HOTGVXAUSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000846821861 671151686 /nfs/dbraw/zinc/15/16/86/671151686.db2.gz WJUUZWVIJKZAFJ-HOTGVXAUSA-N 2 2 350.463 0.671 20 0 FCADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H](C[NH3+])C1 ZINC000851656707 671454882 /nfs/dbraw/zinc/45/48/82/671454882.db2.gz OTIQQQRSLZCPKT-HIFRSBDPSA-N 2 2 360.524 0.264 20 0 FCADLP CC[C@H](CN1CCOCC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000903341988 675926949 /nfs/dbraw/zinc/92/69/49/675926949.db2.gz AIILEWGMSIBSDY-GOSISDBHSA-N 2 2 354.539 0.483 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783559 675973056 /nfs/dbraw/zinc/97/30/56/675973056.db2.gz ZEIRTDFEUOPWLZ-AEFFLSMTSA-N 3 2 350.507 0.561 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000804006838 675985749 /nfs/dbraw/zinc/98/57/49/675985749.db2.gz BCICEIKRQWWVLN-AWEZNQCLSA-N 2 2 370.563 0.919 20 0 FCADLP COCC[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000865434881 672242573 /nfs/dbraw/zinc/24/25/73/672242573.db2.gz VAVZKGIRZNSAAM-AWEZNQCLSA-N 2 2 358.483 0.280 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000875194418 672846131 /nfs/dbraw/zinc/84/61/31/672846131.db2.gz KUTGTNSMOJIWBX-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000875194418 672846135 /nfs/dbraw/zinc/84/61/35/672846135.db2.gz KUTGTNSMOJIWBX-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000875534094 672890664 /nfs/dbraw/zinc/89/06/64/672890664.db2.gz WWMVYXLHDXOWEH-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000875534094 672890666 /nfs/dbraw/zinc/89/06/66/672890666.db2.gz WWMVYXLHDXOWEH-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000875534094 672890670 /nfs/dbraw/zinc/89/06/70/672890670.db2.gz WWMVYXLHDXOWEH-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000875534094 672890672 /nfs/dbraw/zinc/89/06/72/672890672.db2.gz WWMVYXLHDXOWEH-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000875534099 672890710 /nfs/dbraw/zinc/89/07/10/672890710.db2.gz WWMVYXLHDXOWEH-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000875534099 672890712 /nfs/dbraw/zinc/89/07/12/672890712.db2.gz WWMVYXLHDXOWEH-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000875534099 672890715 /nfs/dbraw/zinc/89/07/15/672890715.db2.gz WWMVYXLHDXOWEH-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000875534099 672890717 /nfs/dbraw/zinc/89/07/17/672890717.db2.gz WWMVYXLHDXOWEH-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[N@@H+]1C1CC1 ZINC000125618222 672918655 /nfs/dbraw/zinc/91/86/55/672918655.db2.gz BFUQAPLHJMJVTB-HIFRSBDPSA-N 2 2 372.535 0.420 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000125618222 672918659 /nfs/dbraw/zinc/91/86/59/672918659.db2.gz BFUQAPLHJMJVTB-HIFRSBDPSA-N 2 2 372.535 0.420 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248569 673107217 /nfs/dbraw/zinc/10/72/17/673107217.db2.gz PPQGMWDSWSWOEC-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592234 673129561 /nfs/dbraw/zinc/12/95/61/673129561.db2.gz IGUYLMJRXPQMGR-AWEZNQCLSA-N 2 2 353.511 0.711 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC001051623848 676106895 /nfs/dbraw/zinc/10/68/95/676106895.db2.gz JSXCYSKXVSZZDY-QLFBSQMISA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC001051623848 676106897 /nfs/dbraw/zinc/10/68/97/676106897.db2.gz JSXCYSKXVSZZDY-QLFBSQMISA-N 2 2 351.451 0.425 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051678190 676108535 /nfs/dbraw/zinc/10/85/35/676108535.db2.gz ARUNZMUZNYUYEY-BPLDGKMQSA-N 2 2 368.503 0.488 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)s1 ZINC001051678190 676108540 /nfs/dbraw/zinc/10/85/40/676108540.db2.gz ARUNZMUZNYUYEY-BPLDGKMQSA-N 2 2 368.503 0.488 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680525 676108578 /nfs/dbraw/zinc/10/85/78/676108578.db2.gz OEUBMQSQIBFZBQ-XNRPHZJLSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680525 676108583 /nfs/dbraw/zinc/10/85/83/676108583.db2.gz OEUBMQSQIBFZBQ-XNRPHZJLSA-N 2 2 352.435 0.019 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883118219 673366872 /nfs/dbraw/zinc/36/68/72/673366872.db2.gz QVONCLSDKMSPRP-HNNXBMFYSA-N 2 2 354.495 0.650 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883652490 673389230 /nfs/dbraw/zinc/38/92/30/673389230.db2.gz PNWJYWCZNHZUDX-HNNXBMFYSA-N 2 2 350.467 0.016 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883652490 673389234 /nfs/dbraw/zinc/38/92/34/673389234.db2.gz PNWJYWCZNHZUDX-HNNXBMFYSA-N 2 2 350.467 0.016 20 0 FCADLP O=C(NCC[NH2+]C1CC1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884689846 673473611 /nfs/dbraw/zinc/47/36/11/673473611.db2.gz AQXYGLSKKKOLNR-UHFFFAOYSA-N 2 2 363.487 0.119 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(N)=O)C2)([NH+]2CCCCC2)CC1 ZINC000889247954 673672971 /nfs/dbraw/zinc/67/29/71/673672971.db2.gz ZGLNQJLZHIOKBX-JKSUJKDBSA-N 2 2 350.507 0.955 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749501 673684848 /nfs/dbraw/zinc/68/48/48/673684848.db2.gz IGPXJNRRCNHWLW-MSOLQXFVSA-N 2 2 352.523 0.460 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889749501 673684849 /nfs/dbraw/zinc/68/48/49/673684849.db2.gz IGPXJNRRCNHWLW-MSOLQXFVSA-N 2 2 352.523 0.460 20 0 FCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000890073572 673701574 /nfs/dbraw/zinc/70/15/74/673701574.db2.gz QEKICATZSXEYKY-MRXNPFEDSA-N 2 2 351.495 0.276 20 0 FCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000890073572 673701577 /nfs/dbraw/zinc/70/15/77/673701577.db2.gz QEKICATZSXEYKY-MRXNPFEDSA-N 2 2 351.495 0.276 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000890168705 673709968 /nfs/dbraw/zinc/70/99/68/673709968.db2.gz KUSHOONWCUDVGQ-JYJNAYRXSA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000890168705 673709974 /nfs/dbraw/zinc/70/99/74/673709974.db2.gz KUSHOONWCUDVGQ-JYJNAYRXSA-N 2 2 374.551 0.620 20 0 FCADLP CN(C)CC[NH+]1CCC(N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924465379 673753552 /nfs/dbraw/zinc/75/35/52/673753552.db2.gz SCYDCROSERKLEK-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)n1 ZINC000924783033 673764375 /nfs/dbraw/zinc/76/43/75/673764375.db2.gz CNYIKQALBFXHQT-ZNMIVQPWSA-N 2 2 367.519 0.992 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)n1 ZINC000924783033 673764376 /nfs/dbraw/zinc/76/43/76/673764376.db2.gz CNYIKQALBFXHQT-ZNMIVQPWSA-N 2 2 367.519 0.992 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925590813 673795035 /nfs/dbraw/zinc/79/50/35/673795035.db2.gz UZJJZPNESHQKHC-KVDVXYDOSA-N 2 2 365.499 0.697 20 0 FCADLP O=S(=O)(c1ccccc1)N1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925590248 673795095 /nfs/dbraw/zinc/79/50/95/673795095.db2.gz GIPWOFOUUSHMIK-MRXNPFEDSA-N 2 2 353.488 0.665 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000925613917 673797524 /nfs/dbraw/zinc/79/75/24/673797524.db2.gz UZVMXDPIYNCXGJ-DOTOQJQBSA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000925613917 673797526 /nfs/dbraw/zinc/79/75/26/673797526.db2.gz UZVMXDPIYNCXGJ-DOTOQJQBSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000926718658 673840253 /nfs/dbraw/zinc/84/02/53/673840253.db2.gz LNDVPWLQFFCVRO-PBHICJAKSA-N 2 2 359.536 0.889 20 0 FCADLP CCOCCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927534691 673866385 /nfs/dbraw/zinc/86/63/85/673866385.db2.gz IQROLUBUIXGSKS-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CCOCCOCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927534691 673866387 /nfs/dbraw/zinc/86/63/87/673866387.db2.gz IQROLUBUIXGSKS-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000969072070 675268426 /nfs/dbraw/zinc/26/84/26/675268426.db2.gz VQMNWSZHAXYBAU-JHJVBQTASA-N 2 2 353.492 0.510 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000969072070 675268427 /nfs/dbraw/zinc/26/84/27/675268427.db2.gz VQMNWSZHAXYBAU-JHJVBQTASA-N 2 2 353.492 0.510 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001007626633 675297208 /nfs/dbraw/zinc/29/72/08/675297208.db2.gz ZRYUDQBBRABLKO-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001007626633 675297211 /nfs/dbraw/zinc/29/72/11/675297211.db2.gz ZRYUDQBBRABLKO-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001007626633 675297213 /nfs/dbraw/zinc/29/72/13/675297213.db2.gz ZRYUDQBBRABLKO-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001007626633 675297218 /nfs/dbraw/zinc/29/72/18/675297218.db2.gz ZRYUDQBBRABLKO-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC001020286938 675439262 /nfs/dbraw/zinc/43/92/62/675439262.db2.gz QRAFYFRCDXDSCZ-FMKGYKFTSA-N 2 2 365.503 0.871 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC001020286938 675439265 /nfs/dbraw/zinc/43/92/65/675439265.db2.gz QRAFYFRCDXDSCZ-FMKGYKFTSA-N 2 2 365.503 0.871 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[NH+](CC2CCC2)C1 ZINC001043428034 675577340 /nfs/dbraw/zinc/57/73/40/675577340.db2.gz VATXLNGKCLLWNV-MSOLQXFVSA-N 2 2 351.491 0.809 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001045090709 675650154 /nfs/dbraw/zinc/65/01/54/675650154.db2.gz CXJMSNDIRRSPRR-VNQPRFMTSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001045090709 675650155 /nfs/dbraw/zinc/65/01/55/675650155.db2.gz CXJMSNDIRRSPRR-VNQPRFMTSA-N 2 2 350.467 0.098 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900686908 675707473 /nfs/dbraw/zinc/70/74/73/675707473.db2.gz PJPYKLASJKBFFB-GOSISDBHSA-N 2 2 353.555 0.545 20 0 FCADLP C[C@@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](CCCF)C1 ZINC001046505698 675721914 /nfs/dbraw/zinc/72/19/14/675721914.db2.gz JQTHPQAKYIYWFI-SOLBZPMBSA-N 2 2 357.470 0.806 20 0 FCADLP C[C@@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](CCCF)C1 ZINC001046505698 675721916 /nfs/dbraw/zinc/72/19/16/675721916.db2.gz JQTHPQAKYIYWFI-SOLBZPMBSA-N 2 2 357.470 0.806 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cn2cc(OC)c(=O)cc2C)CC1 ZINC000902114071 675832192 /nfs/dbraw/zinc/83/21/92/675832192.db2.gz KPFHRGSVDYWWBA-UHFFFAOYSA-N 2 2 350.463 0.609 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547629942 1167801898 /nfs/dbraw/zinc/80/18/98/1167801898.db2.gz JQRCYIWBARZQLD-HNNXBMFYSA-N 2 2 360.462 0.148 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000970012481 1168278589 /nfs/dbraw/zinc/27/85/89/1168278589.db2.gz AOFSDHIVDBIZPD-BZUAXINKSA-N 2 2 355.442 0.613 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC000970012674 1168279079 /nfs/dbraw/zinc/27/90/79/1168279079.db2.gz GCOBWZGEBOMPSW-RBSFLKMASA-N 2 2 356.430 0.713 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCN(C(C)C)C1=O ZINC001266418381 1168424162 /nfs/dbraw/zinc/42/41/62/1168424162.db2.gz XXHFKXONXBZUFI-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCN(C(C)C)C1=O ZINC001266418381 1168424164 /nfs/dbraw/zinc/42/41/64/1168424164.db2.gz XXHFKXONXBZUFI-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNc1ncnc2c1C[NH+](C)CC2 ZINC001104245058 1168448665 /nfs/dbraw/zinc/44/86/65/1168448665.db2.gz SXLGTOVIIXPRSP-RRFJBIMHSA-N 2 2 360.506 0.969 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNc1ncnc2c1C[NH+](C)CC2 ZINC001104245058 1168448671 /nfs/dbraw/zinc/44/86/71/1168448671.db2.gz SXLGTOVIIXPRSP-RRFJBIMHSA-N 2 2 360.506 0.969 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104245058 1168448675 /nfs/dbraw/zinc/44/86/75/1168448675.db2.gz SXLGTOVIIXPRSP-RRFJBIMHSA-N 2 2 360.506 0.969 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104245058 1168448676 /nfs/dbraw/zinc/44/86/76/1168448676.db2.gz SXLGTOVIIXPRSP-RRFJBIMHSA-N 2 2 360.506 0.969 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CC([C@H](C)NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000970447746 1168881920 /nfs/dbraw/zinc/88/19/20/1168881920.db2.gz SRFGMDJVKLIDFR-JCURWCKSSA-N 2 2 371.489 0.869 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000121572048 1168882529 /nfs/dbraw/zinc/88/25/29/1168882529.db2.gz OJUBYCRMHZWVKS-JKSUJKDBSA-N 2 2 373.505 0.523 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000121572048 1168882533 /nfs/dbraw/zinc/88/25/33/1168882533.db2.gz OJUBYCRMHZWVKS-JKSUJKDBSA-N 2 2 373.505 0.523 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112493271 1169608375 /nfs/dbraw/zinc/60/83/75/1169608375.db2.gz SFTCQQARVUNSRI-BXWFABGCSA-N 2 2 366.506 0.191 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112493271 1169608399 /nfs/dbraw/zinc/60/83/99/1169608399.db2.gz SFTCQQARVUNSRI-BXWFABGCSA-N 2 2 366.506 0.191 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3C[C@@H]3C(=O)OC)CC2)CC1 ZINC000891233227 1169770607 /nfs/dbraw/zinc/77/06/07/1169770607.db2.gz ZZFGGBGMQPYMNO-RDJZCZTQSA-N 2 2 366.506 0.997 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3C[C@@H]3C(=O)OC)CC2)CC1 ZINC000891233227 1169770631 /nfs/dbraw/zinc/77/06/31/1169770631.db2.gz ZZFGGBGMQPYMNO-RDJZCZTQSA-N 2 2 366.506 0.997 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083207896 1169785255 /nfs/dbraw/zinc/78/52/55/1169785255.db2.gz UZYDFHQTBMAYJM-RCCFBDPRSA-N 2 2 356.426 0.597 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083207896 1169785280 /nfs/dbraw/zinc/78/52/80/1169785280.db2.gz UZYDFHQTBMAYJM-RCCFBDPRSA-N 2 2 356.426 0.597 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001021643077 1169860937 /nfs/dbraw/zinc/86/09/37/1169860937.db2.gz NSIBZMHAVAUREX-YESZJQIVSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001021643077 1169860938 /nfs/dbraw/zinc/86/09/38/1169860938.db2.gz NSIBZMHAVAUREX-YESZJQIVSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001087135172 1169891892 /nfs/dbraw/zinc/89/18/92/1169891892.db2.gz TYXOBQZLGYSOSK-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001087135171 1169891978 /nfs/dbraw/zinc/89/19/78/1169891978.db2.gz TYXOBQZLGYSOSK-ILXRZTDVSA-N 2 2 364.494 0.947 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001021699389 1169893963 /nfs/dbraw/zinc/89/39/63/1169893963.db2.gz PKHWVNUTMWMOHT-ZMSDIMECSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001021699389 1169893964 /nfs/dbraw/zinc/89/39/64/1169893964.db2.gz PKHWVNUTMWMOHT-ZMSDIMECSA-N 2 2 359.474 0.364 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC001021708442 1169908097 /nfs/dbraw/zinc/90/80/97/1169908097.db2.gz DNNREVSGKDXZDG-GVDBMIGSSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001021713687 1169919608 /nfs/dbraw/zinc/91/96/08/1169919608.db2.gz DAVVSMPLCFNTAR-JKSUJKDBSA-N 2 2 356.430 0.456 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2)NC1CC1 ZINC001112501345 1170027011 /nfs/dbraw/zinc/02/70/11/1170027011.db2.gz WFPKBSJCLLZGPP-KXBFYZLASA-N 2 2 359.474 0.770 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001104347259 1170137976 /nfs/dbraw/zinc/13/79/76/1170137976.db2.gz UEMLYEBEKXALQD-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001104347259 1170137986 /nfs/dbraw/zinc/13/79/86/1170137986.db2.gz UEMLYEBEKXALQD-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1 ZINC001021935067 1170317265 /nfs/dbraw/zinc/31/72/65/1170317265.db2.gz LYEVXLXLOGGOOY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1 ZINC001021935067 1170317273 /nfs/dbraw/zinc/31/72/73/1170317273.db2.gz LYEVXLXLOGGOOY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC001021935067 1170317279 /nfs/dbraw/zinc/31/72/79/1170317279.db2.gz LYEVXLXLOGGOOY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC001021935067 1170317289 /nfs/dbraw/zinc/31/72/89/1170317289.db2.gz LYEVXLXLOGGOOY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001021997921 1170369670 /nfs/dbraw/zinc/36/96/70/1170369670.db2.gz GYGHPEHKZSUVIM-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001022010531 1170384852 /nfs/dbraw/zinc/38/48/52/1170384852.db2.gz QLCHMLUUDBNWEG-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001022010531 1170384862 /nfs/dbraw/zinc/38/48/62/1170384862.db2.gz QLCHMLUUDBNWEG-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC001022038367 1170455947 /nfs/dbraw/zinc/45/59/47/1170455947.db2.gz OIUJCBYMIRKELN-YQVWRLOYSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104365658 1170580962 /nfs/dbraw/zinc/58/09/62/1170580962.db2.gz TXJYXTHKNFICJH-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104367036 1170647098 /nfs/dbraw/zinc/64/70/98/1170647098.db2.gz DXPBMNWFSJIQDY-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104367037 1170647938 /nfs/dbraw/zinc/64/79/38/1170647938.db2.gz DXPBMNWFSJIQDY-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104367162 1170649347 /nfs/dbraw/zinc/64/93/47/1170649347.db2.gz JLFQKJKZOJIGTF-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104367195 1170650434 /nfs/dbraw/zinc/65/04/34/1170650434.db2.gz KKRIMHKYPGIHQV-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001022109032 1170671334 /nfs/dbraw/zinc/67/13/34/1170671334.db2.gz BQKQSCFOJUNZKX-LJISPDSOSA-N 2 2 363.510 0.895 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001022109032 1170671348 /nfs/dbraw/zinc/67/13/48/1170671348.db2.gz BQKQSCFOJUNZKX-LJISPDSOSA-N 2 2 363.510 0.895 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217222 1170765182 /nfs/dbraw/zinc/76/51/82/1170765182.db2.gz GUFLNPWZWKKUST-GOEBONIOSA-N 2 2 357.458 0.416 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21)[NH+](C)C ZINC001022222817 1170772644 /nfs/dbraw/zinc/77/26/44/1170772644.db2.gz FKJCAQSPQIMOIN-HRCADAONSA-N 2 2 361.490 0.752 20 0 FCADLP Cc1nc(C)n(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC000971718071 1170795559 /nfs/dbraw/zinc/79/55/59/1170795559.db2.gz CUIJFXJFBXZZTA-BZUAXINKSA-N 2 2 357.462 0.954 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022251196 1170806378 /nfs/dbraw/zinc/80/63/78/1170806378.db2.gz FOLMYNJZIGUBNS-JKSUJKDBSA-N 2 2 357.458 0.428 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)C1CC1 ZINC001022251251 1170806612 /nfs/dbraw/zinc/80/66/12/1170806612.db2.gz HCBWLGRBFRMRST-LZLYRXPVSA-N 2 2 359.474 0.673 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001022254920 1170808071 /nfs/dbraw/zinc/80/80/71/1170808071.db2.gz HTLMXKCYNSNBJY-DOTOQJQBSA-N 2 2 364.409 0.904 20 0 FCADLP COc1cncc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781634 1170822658 /nfs/dbraw/zinc/82/26/58/1170822658.db2.gz LEQMQQCALJTPKE-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1cncc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781634 1170822659 /nfs/dbraw/zinc/82/26/59/1170822659.db2.gz LEQMQQCALJTPKE-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1cncc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781634 1170822661 /nfs/dbraw/zinc/82/26/61/1170822661.db2.gz LEQMQQCALJTPKE-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1cncc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781634 1170822663 /nfs/dbraw/zinc/82/26/63/1170822663.db2.gz LEQMQQCALJTPKE-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781356 1170822791 /nfs/dbraw/zinc/82/27/91/1170822791.db2.gz IBTCVEOJUWQVJK-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP 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C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001087183587 1171066639 /nfs/dbraw/zinc/06/66/39/1171066639.db2.gz YBAXYLADCUCHGM-INMHGKMJSA-N 2 2 371.489 0.991 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC[N@@H+]1C ZINC001022472713 1171250737 /nfs/dbraw/zinc/25/07/37/1171250737.db2.gz YPJCJJMNAUNYSM-LUKYLMHMSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC[N@H+]1C ZINC001022472713 1171250752 /nfs/dbraw/zinc/25/07/52/1171250752.db2.gz YPJCJJMNAUNYSM-LUKYLMHMSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC000988772037 1192462259 /nfs/dbraw/zinc/46/22/59/1192462259.db2.gz IRKTVVHRFDLGDD-CJNGLKHVSA-N 2 2 352.398 0.950 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022522644 1171355893 /nfs/dbraw/zinc/35/58/93/1171355893.db2.gz JEHKBJYSCMYSNG-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022522644 1171355900 /nfs/dbraw/zinc/35/59/00/1171355900.db2.gz JEHKBJYSCMYSNG-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001022524120 1171363255 /nfs/dbraw/zinc/36/32/55/1171363255.db2.gz MOLPXBJHGFXCME-JKSUJKDBSA-N 2 2 371.485 0.888 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087193959 1171395093 /nfs/dbraw/zinc/39/50/93/1171395093.db2.gz UVNGDRRQYLPWIB-CABCVRRESA-N 2 2 359.478 0.898 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)[NH+](C)C ZINC000971960040 1171461915 /nfs/dbraw/zinc/46/19/15/1171461915.db2.gz IGXPVRXQFSOBDJ-RKVPGOIHSA-N 2 2 361.490 0.988 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC000971966430 1171469961 /nfs/dbraw/zinc/46/99/61/1171469961.db2.gz UXQZXZZKNNMIRW-ARFHVFGLSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)C1 ZINC000971966430 1171469966 /nfs/dbraw/zinc/46/99/66/1171469966.db2.gz UXQZXZZKNNMIRW-ARFHVFGLSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000988776766 1192469773 /nfs/dbraw/zinc/46/97/73/1192469773.db2.gz VUARPPLWJYYGIX-ZBFHGGJFSA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083238833 1171623134 /nfs/dbraw/zinc/62/31/34/1171623134.db2.gz DMUFESOFSZNZSZ-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083238833 1171623143 /nfs/dbraw/zinc/62/31/43/1171623143.db2.gz DMUFESOFSZNZSZ-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001022644410 1171637085 /nfs/dbraw/zinc/63/70/85/1171637085.db2.gz ACLNYXSMOJQJRQ-YQQAZPJKSA-N 2 2 371.485 0.985 20 0 FCADLP CN(C(=O)Cn1nc2ccccn2c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832280 1171689441 /nfs/dbraw/zinc/68/94/41/1171689441.db2.gz XTHYVFDEFAQRFR-INIZCTEOSA-N 2 2 372.473 0.123 20 0 FCADLP CN(C(=O)Cn1nc2ccccn2c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832280 1171689459 /nfs/dbraw/zinc/68/94/59/1171689459.db2.gz XTHYVFDEFAQRFR-INIZCTEOSA-N 2 2 372.473 0.123 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001022734477 1171834434 /nfs/dbraw/zinc/83/44/34/1171834434.db2.gz ZAWZRYUFYJYXPH-XJFOESAGSA-N 2 2 361.425 0.522 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001022734148 1171835309 /nfs/dbraw/zinc/83/53/09/1171835309.db2.gz MTLGVXOHGQEPTI-XJFOESAGSA-N 2 2 371.445 0.082 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972314301 1171956283 /nfs/dbraw/zinc/95/62/83/1171956283.db2.gz MGCYXZIPACIZOY-BRWVUGGUSA-N 2 2 357.458 0.284 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972315769 1171959302 /nfs/dbraw/zinc/95/93/02/1171959302.db2.gz XGPNCCBDTVTKLA-KZNAEPCWSA-N 2 2 371.485 0.674 20 0 FCADLP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892281565 1171979832 /nfs/dbraw/zinc/97/98/32/1171979832.db2.gz ISESFNDRPQTIRZ-GOSISDBHSA-N 2 2 364.490 0.731 20 0 FCADLP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892281565 1171979840 /nfs/dbraw/zinc/97/98/40/1171979840.db2.gz ISESFNDRPQTIRZ-GOSISDBHSA-N 2 2 364.490 0.731 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]3O)ccn12 ZINC001083461152 1192501912 /nfs/dbraw/zinc/50/19/12/1192501912.db2.gz PWJAKBSPWRXLTQ-SJORKVTESA-N 2 2 368.441 0.394 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]3O)ccn12 ZINC001083461152 1192501914 /nfs/dbraw/zinc/50/19/14/1192501914.db2.gz PWJAKBSPWRXLTQ-SJORKVTESA-N 2 2 368.441 0.394 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1c[nH]c3cc[nH+]cc31)C2 ZINC001272123295 1192507993 /nfs/dbraw/zinc/50/79/93/1192507993.db2.gz LSJIIOINENYJTM-UHFFFAOYSA-N 2 2 357.414 0.178 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620622 1192640197 /nfs/dbraw/zinc/64/01/97/1192640197.db2.gz TXLZVMUSOKITMI-ILXRZTDVSA-N 2 2 364.494 0.165 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620622 1192640200 /nfs/dbraw/zinc/64/02/00/1192640200.db2.gz TXLZVMUSOKITMI-ILXRZTDVSA-N 2 2 364.494 0.165 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620622 1192640202 /nfs/dbraw/zinc/64/02/02/1192640202.db2.gz TXLZVMUSOKITMI-ILXRZTDVSA-N 2 2 364.494 0.165 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088620622 1192640207 /nfs/dbraw/zinc/64/02/07/1192640207.db2.gz TXLZVMUSOKITMI-ILXRZTDVSA-N 2 2 364.494 0.165 20 0 FCADLP 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FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075938624 1192824514 /nfs/dbraw/zinc/82/45/14/1192824514.db2.gz AQPFFSWTJSUQRP-BVPBIZIASA-N 2 2 359.474 0.537 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000989385955 1192826207 /nfs/dbraw/zinc/82/62/07/1192826207.db2.gz NJDSSAIRNBOCFU-PMPSAXMXSA-N 2 2 363.462 0.098 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000989385955 1192826208 /nfs/dbraw/zinc/82/62/08/1192826208.db2.gz NJDSSAIRNBOCFU-PMPSAXMXSA-N 2 2 363.462 0.098 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000898017166 1192855018 /nfs/dbraw/zinc/85/50/18/1192855018.db2.gz KDSYNFAFFUBFSB-HUUCEWRRSA-N 2 2 368.441 0.446 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001691578838 1192891617 /nfs/dbraw/zinc/89/16/17/1192891617.db2.gz NKRSDRFCWBUGCC-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001691578838 1192891620 /nfs/dbraw/zinc/89/16/20/1192891620.db2.gz NKRSDRFCWBUGCC-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001691578838 1192891621 /nfs/dbraw/zinc/89/16/21/1192891621.db2.gz NKRSDRFCWBUGCC-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001691578838 1192891622 /nfs/dbraw/zinc/89/16/22/1192891622.db2.gz NKRSDRFCWBUGCC-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001087236050 1179039314 /nfs/dbraw/zinc/03/93/14/1179039314.db2.gz FYCRLRIPSUQYFK-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH+]cn2C)C1=O ZINC001087236113 1179044721 /nfs/dbraw/zinc/04/47/21/1179044721.db2.gz IKUWUUCECNKPDQ-PVAVHDDUSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083259668 1179320379 /nfs/dbraw/zinc/32/03/79/1179320379.db2.gz MOKLVYZQZGHGOX-RYQLBKOJSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]21 ZINC001083259668 1179320387 /nfs/dbraw/zinc/32/03/87/1179320387.db2.gz MOKLVYZQZGHGOX-RYQLBKOJSA-N 2 2 362.474 0.989 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104482315 1179433932 /nfs/dbraw/zinc/43/39/32/1179433932.db2.gz JTVZUMFOGWIMEZ-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001023450412 1179751634 /nfs/dbraw/zinc/75/16/34/1179751634.db2.gz FUEZGDDRGDMCOQ-IIAWOOMASA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001023450412 1179751644 /nfs/dbraw/zinc/75/16/44/1179751644.db2.gz FUEZGDDRGDMCOQ-IIAWOOMASA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001023450412 1179751659 /nfs/dbraw/zinc/75/16/59/1179751659.db2.gz FUEZGDDRGDMCOQ-IIAWOOMASA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001023450412 1179751669 /nfs/dbraw/zinc/75/16/69/1179751669.db2.gz FUEZGDDRGDMCOQ-IIAWOOMASA-N 2 2 366.462 0.731 20 0 FCADLP Cc1ccnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450443 1179751796 /nfs/dbraw/zinc/75/17/96/1179751796.db2.gz GAWQMQFIZVAUFW-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ccnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450443 1179751801 /nfs/dbraw/zinc/75/18/01/1179751801.db2.gz GAWQMQFIZVAUFW-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ccnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450443 1179751804 /nfs/dbraw/zinc/75/18/04/1179751804.db2.gz GAWQMQFIZVAUFW-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ccnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450443 1179751808 /nfs/dbraw/zinc/75/18/08/1179751808.db2.gz GAWQMQFIZVAUFW-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001087245994 1179957618 /nfs/dbraw/zinc/95/76/18/1179957618.db2.gz UJKKVTWYEUZYDG-KFWWJZLASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001087245994 1179957626 /nfs/dbraw/zinc/95/76/26/1179957626.db2.gz UJKKVTWYEUZYDG-KFWWJZLASA-N 2 2 364.494 0.804 20 0 FCADLP CN(C(=O)C[C@@H]1CCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329768946 1179965751 /nfs/dbraw/zinc/96/57/51/1179965751.db2.gz FAZRRSSDHLCVRK-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nonc2C)C1 ZINC001087248129 1180008944 /nfs/dbraw/zinc/00/89/44/1180008944.db2.gz PNNSQNLVBSZDQH-KMFMINBZSA-N 2 2 365.478 0.815 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nonc2C)C1 ZINC001087248129 1180008952 /nfs/dbraw/zinc/00/89/52/1180008952.db2.gz PNNSQNLVBSZDQH-KMFMINBZSA-N 2 2 365.478 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001087251372 1180101889 /nfs/dbraw/zinc/10/18/89/1180101889.db2.gz REQFOXZFXAKHLH-OAGGEKHMSA-N 2 2 357.462 0.879 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000501968448 1180108858 /nfs/dbraw/zinc/10/88/58/1180108858.db2.gz KUQUNTZKKCGEGP-KRWDZBQOSA-N 2 2 357.458 0.748 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000501968448 1180108860 /nfs/dbraw/zinc/10/88/60/1180108860.db2.gz KUQUNTZKKCGEGP-KRWDZBQOSA-N 2 2 357.458 0.748 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]3O)ccn12 ZINC001023842720 1180387535 /nfs/dbraw/zinc/38/75/35/1180387535.db2.gz GKPMZAQTLBWXHJ-HZPDHXFCSA-N 2 2 371.441 0.040 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1)[NH+](C)C ZINC000972725548 1180655153 /nfs/dbraw/zinc/65/51/53/1180655153.db2.gz ZSWYBPQCGCXZKW-QGPMSJSTSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1)[NH+](C)C ZINC000972725548 1180655182 /nfs/dbraw/zinc/65/51/82/1180655182.db2.gz ZSWYBPQCGCXZKW-QGPMSJSTSA-N 2 2 361.490 0.988 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)c1 ZINC001024128588 1180857938 /nfs/dbraw/zinc/85/79/38/1180857938.db2.gz VYTRZKMCDOPCPQ-IAGOWNOFSA-N 2 2 371.441 0.016 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892473147 1181241383 /nfs/dbraw/zinc/24/13/83/1181241383.db2.gz OVAGZUFIZAUJPA-UHFFFAOYSA-N 2 2 365.522 0.938 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892473147 1181241390 /nfs/dbraw/zinc/24/13/90/1181241390.db2.gz OVAGZUFIZAUJPA-UHFFFAOYSA-N 2 2 365.522 0.938 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493823 1181243695 /nfs/dbraw/zinc/24/36/95/1181243695.db2.gz WIMPFRPPAQDSRQ-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493823 1181243703 /nfs/dbraw/zinc/24/37/03/1181243703.db2.gz WIMPFRPPAQDSRQ-CSMYWGQOSA-N 2 2 371.441 0.206 20 0 FCADLP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000548926095 1181338347 /nfs/dbraw/zinc/33/83/47/1181338347.db2.gz URRGNJIDIDQZCQ-IAGOWNOFSA-N 2 2 374.485 0.875 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1CCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572786 1181347576 /nfs/dbraw/zinc/34/75/76/1181347576.db2.gz URMSTGRPLMWIRO-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1CCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572786 1181347584 /nfs/dbraw/zinc/34/75/84/1181347584.db2.gz URMSTGRPLMWIRO-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)nn1 ZINC001111939664 1181552285 /nfs/dbraw/zinc/55/22/85/1181552285.db2.gz LPWUPMLRFUJQLB-YJBOKZPZSA-N 2 2 364.494 0.347 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)nn1 ZINC001111939664 1181552292 /nfs/dbraw/zinc/55/22/92/1181552292.db2.gz LPWUPMLRFUJQLB-YJBOKZPZSA-N 2 2 364.494 0.347 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001083275491 1181849564 /nfs/dbraw/zinc/84/95/64/1181849564.db2.gz HBAFCCLTLLMVMS-ZNMIVQPWSA-N 2 2 370.400 0.527 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001083275491 1181849569 /nfs/dbraw/zinc/84/95/69/1181849569.db2.gz HBAFCCLTLLMVMS-ZNMIVQPWSA-N 2 2 370.400 0.527 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)cn1 ZINC001083275554 1181852694 /nfs/dbraw/zinc/85/26/94/1181852694.db2.gz KLLHKDMHHUACHE-ZWKOTPCHSA-N 2 2 361.490 0.453 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)cn1 ZINC001083275554 1181852696 /nfs/dbraw/zinc/85/26/96/1181852696.db2.gz KLLHKDMHHUACHE-ZWKOTPCHSA-N 2 2 361.490 0.453 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H](C[NH3+])C3)C2)c1 ZINC000892609344 1181927492 /nfs/dbraw/zinc/92/74/92/1181927492.db2.gz NRPBPQVXMASQNI-ZWKOTPCHSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@@H](C[NH3+])C3)C2)c1 ZINC000892609344 1181927498 /nfs/dbraw/zinc/92/74/98/1181927498.db2.gz NRPBPQVXMASQNI-ZWKOTPCHSA-N 2 2 362.474 0.565 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000892613427 1181931360 /nfs/dbraw/zinc/93/13/60/1181931360.db2.gz FEUUVJGISGOTGH-WBVHZDCISA-N 2 2 359.474 0.670 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000892613427 1181931368 /nfs/dbraw/zinc/93/13/68/1181931368.db2.gz FEUUVJGISGOTGH-WBVHZDCISA-N 2 2 359.474 0.670 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211644729 1182264367 /nfs/dbraw/zinc/26/43/67/1182264367.db2.gz GEBMVWOGEZYLMJ-BPQIPLTHSA-N 2 2 369.469 0.992 20 0 FCADLP COCCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)no1 ZINC001104623605 1182302477 /nfs/dbraw/zinc/30/24/77/1182302477.db2.gz AVWILRSDWPBJKF-HUUCEWRRSA-N 2 2 367.494 0.784 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973466801 1182322476 /nfs/dbraw/zinc/32/24/76/1182322476.db2.gz ZSVAVAZJMSSLNS-RFBLXINOSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973466801 1182322486 /nfs/dbraw/zinc/32/24/86/1182322486.db2.gz ZSVAVAZJMSSLNS-RFBLXINOSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104699091 1182378859 /nfs/dbraw/zinc/37/88/59/1182378859.db2.gz CEYSHSMDSCYLKP-KLHDSHLOSA-N 2 2 361.490 0.686 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000973549955 1182384014 /nfs/dbraw/zinc/38/40/14/1182384014.db2.gz CXZWIBPOUFFICP-OXGONZEZSA-N 2 2 359.474 0.771 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815124 1182859534 /nfs/dbraw/zinc/85/95/34/1182859534.db2.gz ZBABOPTUFJUJIM-RNVLVTRWSA-N 2 2 353.430 0.339 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815124 1182859536 /nfs/dbraw/zinc/85/95/36/1182859536.db2.gz ZBABOPTUFJUJIM-RNVLVTRWSA-N 2 2 353.430 0.339 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815124 1182859537 /nfs/dbraw/zinc/85/95/37/1182859537.db2.gz ZBABOPTUFJUJIM-RNVLVTRWSA-N 2 2 353.430 0.339 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815124 1182859541 /nfs/dbraw/zinc/85/95/41/1182859541.db2.gz ZBABOPTUFJUJIM-RNVLVTRWSA-N 2 2 353.430 0.339 20 0 FCADLP COc1ncnc(OC)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637407 1182864714 /nfs/dbraw/zinc/86/47/14/1182864714.db2.gz RBQUHMFGNNCYMM-CQSZACIVSA-N 2 2 363.462 0.734 20 0 FCADLP COc1ncnc(OC)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637407 1182864715 /nfs/dbraw/zinc/86/47/15/1182864715.db2.gz RBQUHMFGNNCYMM-CQSZACIVSA-N 2 2 363.462 0.734 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054968 1182877042 /nfs/dbraw/zinc/87/70/42/1182877042.db2.gz QTMVRPNQCMQJRA-QKEJGYSESA-N 2 2 357.458 0.191 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001026054968 1182877045 /nfs/dbraw/zinc/87/70/45/1182877045.db2.gz QTMVRPNQCMQJRA-QKEJGYSESA-N 2 2 357.458 0.191 20 0 FCADLP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794637 1182924360 /nfs/dbraw/zinc/92/43/60/1182924360.db2.gz 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ZINC000979873056 1186133573 /nfs/dbraw/zinc/13/35/73/1186133573.db2.gz MSDBXZUYBXRDSX-VUVWGQCBSA-N 2 2 359.474 0.864 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000979873056 1186133577 /nfs/dbraw/zinc/13/35/77/1186133577.db2.gz MSDBXZUYBXRDSX-VUVWGQCBSA-N 2 2 359.474 0.864 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966040 1186243980 /nfs/dbraw/zinc/24/39/80/1186243980.db2.gz JLKCGJYFFTXCMP-FHLIZLRMSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966040 1186243985 /nfs/dbraw/zinc/24/39/85/1186243985.db2.gz JLKCGJYFFTXCMP-FHLIZLRMSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966040 1186243989 /nfs/dbraw/zinc/24/39/89/1186243989.db2.gz JLKCGJYFFTXCMP-FHLIZLRMSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc3n(n2)CCC3)O1 ZINC001027966040 1186243996 /nfs/dbraw/zinc/24/39/96/1186243996.db2.gz JLKCGJYFFTXCMP-FHLIZLRMSA-N 2 2 361.490 0.629 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211696563 1186253387 /nfs/dbraw/zinc/25/33/87/1186253387.db2.gz KBDASNNGIVNXIQ-JKSUJKDBSA-N 2 2 355.442 0.673 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cncn2C)C3)O1 ZINC000981843225 1186545285 /nfs/dbraw/zinc/54/52/85/1186545285.db2.gz XBPJGOMNMVVDKA-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cncn2C)C3)O1 ZINC000981843225 1186545288 /nfs/dbraw/zinc/54/52/88/1186545288.db2.gz XBPJGOMNMVVDKA-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2cncn2C)C3)O1 ZINC000981843225 1186545290 /nfs/dbraw/zinc/54/52/90/1186545290.db2.gz XBPJGOMNMVVDKA-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2cncn2C)C3)O1 ZINC000981843225 1186545292 /nfs/dbraw/zinc/54/52/92/1186545292.db2.gz XBPJGOMNMVVDKA-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001028145749 1186553508 /nfs/dbraw/zinc/55/35/08/1186553508.db2.gz PLUAGPRDROBBIB-RBSFLKMASA-N 2 2 360.462 0.129 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028145749 1186553510 /nfs/dbraw/zinc/55/35/10/1186553510.db2.gz PLUAGPRDROBBIB-RBSFLKMASA-N 2 2 360.462 0.129 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001745426618 1186554227 /nfs/dbraw/zinc/55/42/27/1186554227.db2.gz YPOJATVIYHWGKP-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CN1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+](C)CC1 ZINC000893699482 1186666658 /nfs/dbraw/zinc/66/66/58/1186666658.db2.gz NAHDMLWDYDKDHP-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+](C)CC1 ZINC000893699482 1186666661 /nfs/dbraw/zinc/66/66/61/1186666661.db2.gz NAHDMLWDYDKDHP-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001691501929 1186686806 /nfs/dbraw/zinc/68/68/06/1186686806.db2.gz IGIKKCAAZIHEMS-SOUVJXGZSA-N 2 2 367.494 0.415 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001691501929 1186686811 /nfs/dbraw/zinc/68/68/11/1186686811.db2.gz IGIKKCAAZIHEMS-SOUVJXGZSA-N 2 2 367.494 0.415 20 0 FCADLP CN1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+](C)CC1 ZINC000888994050 1186692525 /nfs/dbraw/zinc/69/25/25/1186692525.db2.gz SAWIXEHHIYVYFG-UHFFFAOYSA-N 2 2 373.545 0.510 20 0 FCADLP CN1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+](C)CC1 ZINC000888994050 1186692528 /nfs/dbraw/zinc/69/25/28/1186692528.db2.gz SAWIXEHHIYVYFG-UHFFFAOYSA-N 2 2 373.545 0.510 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4ncnn4C)C[C@]3(C)C2)CC[N@@H+]1C ZINC000982283743 1186698192 /nfs/dbraw/zinc/69/81/92/1186698192.db2.gz YGXPZZXDIQCHEW-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[NH+](Cc4ncnn4C)C[C@]3(C)C2)CC[N@H+]1C ZINC000982283743 1186698194 /nfs/dbraw/zinc/69/81/94/1186698194.db2.gz YGXPZZXDIQCHEW-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@H+](Cc4ncnn4C)C[C@]3(C)C2)CC[NH+]1C ZINC000982283743 1186698196 /nfs/dbraw/zinc/69/81/96/1186698196.db2.gz YGXPZZXDIQCHEW-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@]3(C)C[N@@H+](Cc4ncnn4C)C[C@]3(C)C2)CC[NH+]1C ZINC000982283743 1186698199 /nfs/dbraw/zinc/69/81/99/1186698199.db2.gz YGXPZZXDIQCHEW-RGCFKVTRSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001028553015 1187604604 /nfs/dbraw/zinc/60/46/04/1187604604.db2.gz YSZJNNHULJYZAP-VNQPRFMTSA-N 2 2 361.494 0.676 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001028553015 1187604606 /nfs/dbraw/zinc/60/46/06/1187604606.db2.gz YSZJNNHULJYZAP-VNQPRFMTSA-N 2 2 361.494 0.676 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001028553015 1187604610 /nfs/dbraw/zinc/60/46/10/1187604610.db2.gz YSZJNNHULJYZAP-VNQPRFMTSA-N 2 2 361.494 0.676 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001028553015 1187604616 /nfs/dbraw/zinc/60/46/16/1187604616.db2.gz YSZJNNHULJYZAP-VNQPRFMTSA-N 2 2 361.494 0.676 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385756 1187712536 /nfs/dbraw/zinc/71/25/36/1187712536.db2.gz YBZZROLWZNQUSV-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385756 1187712538 /nfs/dbraw/zinc/71/25/38/1187712538.db2.gz YBZZROLWZNQUSV-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385756 1187712542 /nfs/dbraw/zinc/71/25/42/1187712542.db2.gz YBZZROLWZNQUSV-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083385756 1187712546 /nfs/dbraw/zinc/71/25/46/1187712546.db2.gz YBZZROLWZNQUSV-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385498 1187713233 /nfs/dbraw/zinc/71/32/33/1187713233.db2.gz PRRKXVLUUDIQEP-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385498 1187713235 /nfs/dbraw/zinc/71/32/35/1187713235.db2.gz PRRKXVLUUDIQEP-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385498 1187713239 /nfs/dbraw/zinc/71/32/39/1187713239.db2.gz PRRKXVLUUDIQEP-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385498 1187713241 /nfs/dbraw/zinc/71/32/41/1187713241.db2.gz PRRKXVLUUDIQEP-CEXWTWQISA-N 2 2 361.486 0.283 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385733 1187714723 /nfs/dbraw/zinc/71/47/23/1187714723.db2.gz XFOZGGAWILGQLM-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385733 1187714726 /nfs/dbraw/zinc/71/47/26/1187714726.db2.gz XFOZGGAWILGQLM-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385733 1187714728 /nfs/dbraw/zinc/71/47/28/1187714728.db2.gz XFOZGGAWILGQLM-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385733 1187714731 /nfs/dbraw/zinc/71/47/31/1187714731.db2.gz XFOZGGAWILGQLM-QYZOEREBSA-N 2 2 359.470 0.556 20 0 FCADLP CCCc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628723 1187757683 /nfs/dbraw/zinc/75/76/83/1187757683.db2.gz YFDBABIJMIGDLO-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628723 1187757690 /nfs/dbraw/zinc/75/76/90/1187757690.db2.gz YFDBABIJMIGDLO-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628723 1187757696 /nfs/dbraw/zinc/75/76/96/1187757696.db2.gz YFDBABIJMIGDLO-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628723 1187757708 /nfs/dbraw/zinc/75/77/08/1187757708.db2.gz YFDBABIJMIGDLO-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1[nH]c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1C(=O)OC ZINC000894257121 1187816457 /nfs/dbraw/zinc/81/64/57/1187816457.db2.gz ZHTHMPVTGCPIIG-HNNXBMFYSA-N 2 2 364.490 0.860 20 0 FCADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001746843077 1187862213 /nfs/dbraw/zinc/86/22/13/1187862213.db2.gz REWFOYTVJXNUKY-OIISXLGYSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001746843077 1187862215 /nfs/dbraw/zinc/86/22/15/1187862215.db2.gz REWFOYTVJXNUKY-OIISXLGYSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1)[NH+]1CCCC1 ZINC001270488329 1188169846 /nfs/dbraw/zinc/16/98/46/1188169846.db2.gz BQHZXUONMICIIE-KXBFYZLASA-N 2 2 359.474 0.855 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[C@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491729 1188172862 /nfs/dbraw/zinc/17/28/62/1188172862.db2.gz XDMMVMRRIZJTLQ-HOTGVXAUSA-N 2 2 359.474 0.580 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCC3(C[C@H]3C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC001270491729 1188172868 /nfs/dbraw/zinc/17/28/68/1188172868.db2.gz XDMMVMRRIZJTLQ-HOTGVXAUSA-N 2 2 359.474 0.580 20 0 FCADLP CCOC1CC(CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000894465847 1188221612 /nfs/dbraw/zinc/22/16/12/1188221612.db2.gz RLRJJBBOADXPIM-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000894465847 1188221616 /nfs/dbraw/zinc/22/16/16/1188221616.db2.gz RLRJJBBOADXPIM-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000550309397 1188315715 /nfs/dbraw/zinc/31/57/15/1188315715.db2.gz VMXMDMMONHPAOK-HOCLYGCPSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000550309397 1188315717 /nfs/dbraw/zinc/31/57/17/1188315717.db2.gz VMXMDMMONHPAOK-HOCLYGCPSA-N 2 2 359.474 0.897 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112535879 1188326135 /nfs/dbraw/zinc/32/61/35/1188326135.db2.gz FDVUCKVTGJVBIV-KXBFYZLASA-N 2 2 359.474 0.793 20 0 FCADLP CCCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984016993 1189374736 /nfs/dbraw/zinc/37/47/36/1189374736.db2.gz XDIQRPXETJNATG-KBUPBQIOSA-N 2 2 365.478 0.726 20 0 FCADLP CCCc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984016993 1189374742 /nfs/dbraw/zinc/37/47/42/1189374742.db2.gz XDIQRPXETJNATG-KBUPBQIOSA-N 2 2 365.478 0.726 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCn1cncn1 ZINC001087630758 1189681065 /nfs/dbraw/zinc/68/10/65/1189681065.db2.gz WCJAYKWZYRKZAD-OWCLPIDISA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCn1cncn1 ZINC001087630758 1189681076 /nfs/dbraw/zinc/68/10/76/1189681076.db2.gz WCJAYKWZYRKZAD-OWCLPIDISA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087640536 1189697197 /nfs/dbraw/zinc/69/71/97/1189697197.db2.gz IRQOSJSPZXTPQI-UONOGXRCSA-N 2 2 362.478 0.206 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087640536 1189697202 /nfs/dbraw/zinc/69/72/02/1189697202.db2.gz IRQOSJSPZXTPQI-UONOGXRCSA-N 2 2 362.478 0.206 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087700524 1189774492 /nfs/dbraw/zinc/77/44/92/1189774492.db2.gz OYRWKMKYAMPWMP-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CC(=O)N1CCC1 ZINC001087700524 1189774508 /nfs/dbraw/zinc/77/45/08/1189774508.db2.gz OYRWKMKYAMPWMP-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N1CCC1 ZINC001087700524 1189774526 /nfs/dbraw/zinc/77/45/26/1189774526.db2.gz OYRWKMKYAMPWMP-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N1CCC1 ZINC001087700524 1189774540 /nfs/dbraw/zinc/77/45/40/1189774540.db2.gz OYRWKMKYAMPWMP-BBWFWOEESA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2CC3(CCOCC3)[C@@H](O)C2=O)C1 ZINC000840017126 1189812515 /nfs/dbraw/zinc/81/25/15/1189812515.db2.gz GDKXSDWAZADXCW-SJORKVTESA-N 2 2 369.506 0.377 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2CC3(CCOCC3)[C@@H](O)C2=O)C1 ZINC000840017126 1189812518 /nfs/dbraw/zinc/81/25/18/1189812518.db2.gz GDKXSDWAZADXCW-SJORKVTESA-N 2 2 369.506 0.377 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CC(=O)N(C)C ZINC001087776927 1189820950 /nfs/dbraw/zinc/82/09/50/1189820950.db2.gz FHTQWMMYWUAYBX-DLBZAZTESA-N 2 2 370.457 0.938 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CC(=O)N(C)C ZINC001087776927 1189820952 /nfs/dbraw/zinc/82/09/52/1189820952.db2.gz FHTQWMMYWUAYBX-DLBZAZTESA-N 2 2 370.457 0.938 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000984409946 1189838047 /nfs/dbraw/zinc/83/80/47/1189838047.db2.gz WLICMONADMLERA-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000984409946 1189838048 /nfs/dbraw/zinc/83/80/48/1189838048.db2.gz WLICMONADMLERA-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000895849813 1189887714 /nfs/dbraw/zinc/88/77/14/1189887714.db2.gz ZSWFLJKMDNJIKS-ZWKOTPCHSA-N 2 2 372.469 0.796 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000895849813 1189887718 /nfs/dbraw/zinc/88/77/18/1189887718.db2.gz ZSWFLJKMDNJIKS-ZWKOTPCHSA-N 2 2 372.469 0.796 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908817 1189893699 /nfs/dbraw/zinc/89/36/99/1189893699.db2.gz OJDPECXAIYQPKR-IKGGRYGDSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908817 1189893701 /nfs/dbraw/zinc/89/37/01/1189893701.db2.gz OJDPECXAIYQPKR-IKGGRYGDSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908817 1189893702 /nfs/dbraw/zinc/89/37/02/1189893702.db2.gz OJDPECXAIYQPKR-IKGGRYGDSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908817 1189893704 /nfs/dbraw/zinc/89/37/04/1189893704.db2.gz OJDPECXAIYQPKR-IKGGRYGDSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920129 1189905563 /nfs/dbraw/zinc/90/55/63/1189905563.db2.gz FURGRRBQGNMDFM-BPQIPLTHSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920129 1189905569 /nfs/dbraw/zinc/90/55/69/1189905569.db2.gz FURGRRBQGNMDFM-BPQIPLTHSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920129 1189905573 /nfs/dbraw/zinc/90/55/73/1189905573.db2.gz FURGRRBQGNMDFM-BPQIPLTHSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920129 1189905589 /nfs/dbraw/zinc/90/55/89/1189905589.db2.gz FURGRRBQGNMDFM-BPQIPLTHSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920689 1189907090 /nfs/dbraw/zinc/90/70/90/1189907090.db2.gz XRJZQPQAHORJNO-SQNIBIBYSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920689 1189907100 /nfs/dbraw/zinc/90/71/00/1189907100.db2.gz XRJZQPQAHORJNO-SQNIBIBYSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920689 1189907114 /nfs/dbraw/zinc/90/71/14/1189907114.db2.gz XRJZQPQAHORJNO-SQNIBIBYSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920689 1189907119 /nfs/dbraw/zinc/90/71/19/1189907119.db2.gz XRJZQPQAHORJNO-SQNIBIBYSA-N 2 2 359.474 0.396 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920673 1189907288 /nfs/dbraw/zinc/90/72/88/1189907288.db2.gz XHRQWMFXFYAQHH-IJEWVQPXSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920673 1189907291 /nfs/dbraw/zinc/90/72/91/1189907291.db2.gz XHRQWMFXFYAQHH-IJEWVQPXSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920673 1189907302 /nfs/dbraw/zinc/90/73/02/1189907302.db2.gz XHRQWMFXFYAQHH-IJEWVQPXSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)on1 ZINC001087920673 1189907307 /nfs/dbraw/zinc/90/73/07/1189907307.db2.gz XHRQWMFXFYAQHH-IJEWVQPXSA-N 2 2 364.446 0.294 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968922 1190029279 /nfs/dbraw/zinc/02/92/79/1190029279.db2.gz RNBSMYCXTXSQQL-IXDOHACOSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968922 1190029283 /nfs/dbraw/zinc/02/92/83/1190029283.db2.gz RNBSMYCXTXSQQL-IXDOHACOSA-N 2 2 358.490 0.437 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)Cn1c[nH+]cc1C ZINC000984729999 1190096430 /nfs/dbraw/zinc/09/64/30/1190096430.db2.gz NNRYJPHBHHHQBB-ARFHVFGLSA-N 2 2 363.462 0.018 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)Cn1c[nH+]cc1C ZINC000984729999 1190096437 /nfs/dbraw/zinc/09/64/37/1190096437.db2.gz NNRYJPHBHHHQBB-ARFHVFGLSA-N 2 2 363.462 0.018 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O ZINC001029480277 1190100645 /nfs/dbraw/zinc/10/06/45/1190100645.db2.gz QUWARKYAEVCNLL-YIDVYQOGSA-N 2 2 357.458 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029480277 1190100649 /nfs/dbraw/zinc/10/06/49/1190100649.db2.gz QUWARKYAEVCNLL-YIDVYQOGSA-N 2 2 357.458 0.477 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088019114 1190233495 /nfs/dbraw/zinc/23/34/95/1190233495.db2.gz XGHHWRWWDSWPBK-OAGGEKHMSA-N 2 2 369.473 0.555 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088019114 1190233497 /nfs/dbraw/zinc/23/34/97/1190233497.db2.gz XGHHWRWWDSWPBK-OAGGEKHMSA-N 2 2 369.473 0.555 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042228 1190299880 /nfs/dbraw/zinc/29/98/80/1190299880.db2.gz DOJVSNRXABEMHI-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042228 1190299893 /nfs/dbraw/zinc/29/98/93/1190299893.db2.gz DOJVSNRXABEMHI-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088059227 1190330241 /nfs/dbraw/zinc/33/02/41/1190330241.db2.gz OQYPCBNKJOFIAR-CVEARBPZSA-N 2 2 360.462 0.079 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088059227 1190330248 /nfs/dbraw/zinc/33/02/48/1190330248.db2.gz OQYPCBNKJOFIAR-CVEARBPZSA-N 2 2 360.462 0.079 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001271198283 1190354685 /nfs/dbraw/zinc/35/46/85/1190354685.db2.gz MCQZHCXYLIXOOC-SFHVURJKSA-N 2 2 361.446 0.203 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107052 1190593168 /nfs/dbraw/zinc/59/31/68/1190593168.db2.gz DLUOBHZMHACCCT-OAGGEKHMSA-N 2 2 359.474 0.280 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107052 1190593170 /nfs/dbraw/zinc/59/31/70/1190593170.db2.gz DLUOBHZMHACCCT-OAGGEKHMSA-N 2 2 359.474 0.280 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnnn2C)C1 ZINC001029846971 1190745138 /nfs/dbraw/zinc/74/51/38/1190745138.db2.gz NIAMEDCCHZULEG-FVQBIDKESA-N 2 2 357.462 0.633 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnnn2C)C1 ZINC001029846971 1190745143 /nfs/dbraw/zinc/74/51/43/1190745143.db2.gz NIAMEDCCHZULEG-FVQBIDKESA-N 2 2 357.462 0.633 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3ncnn3C)C2)O1 ZINC001088334863 1190750763 /nfs/dbraw/zinc/75/07/63/1190750763.db2.gz QYNNPTHWVKRGIB-BZUAXINKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3ncnn3C)C2)O1 ZINC001088334863 1190750767 /nfs/dbraw/zinc/75/07/67/1190750767.db2.gz QYNNPTHWVKRGIB-BZUAXINKSA-N 2 2 364.494 0.395 20 0 FCADLP COC[C@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@@H+]2C1CC[NH+](C)CC1 ZINC001276756384 1224111504 /nfs/dbraw/zinc/11/15/04/1224111504.db2.gz OOJZQQYWMJMNCR-VQIMIIECSA-N 2 2 367.490 0.726 20 0 FCADLP COC[C@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@H+]2C1CC[NH+](C)CC1 ZINC001276756384 1224111506 /nfs/dbraw/zinc/11/15/06/1224111506.db2.gz OOJZQQYWMJMNCR-VQIMIIECSA-N 2 2 367.490 0.726 20 0 FCADLP C[C@H]1C[C@@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CCO1 ZINC001168128321 1190868247 /nfs/dbraw/zinc/86/82/47/1190868247.db2.gz PLSOVPPWEDMQSL-GJZGRUSLSA-N 2 2 372.473 0.972 20 0 FCADLP C[C@H]1C[C@@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CCO1 ZINC001168128321 1190868248 /nfs/dbraw/zinc/86/82/48/1190868248.db2.gz PLSOVPPWEDMQSL-GJZGRUSLSA-N 2 2 372.473 0.972 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757057 1224114504 /nfs/dbraw/zinc/11/45/04/1224114504.db2.gz NLGXTFZAXLAZOG-KUHUBIRLSA-N 2 2 365.474 0.873 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757057 1224114506 /nfs/dbraw/zinc/11/45/06/1224114506.db2.gz NLGXTFZAXLAZOG-KUHUBIRLSA-N 2 2 365.474 0.873 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000517973225 1190895782 /nfs/dbraw/zinc/89/57/82/1190895782.db2.gz VSENRUOCCIPPQI-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000986283161 1190944801 /nfs/dbraw/zinc/94/48/01/1190944801.db2.gz MJVXIPDUFHRMHT-PMPSAXMXSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000986283161 1190944808 /nfs/dbraw/zinc/94/48/08/1190944808.db2.gz MJVXIPDUFHRMHT-PMPSAXMXSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986283161 1190944811 /nfs/dbraw/zinc/94/48/11/1190944811.db2.gz MJVXIPDUFHRMHT-PMPSAXMXSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986283161 1190944813 /nfs/dbraw/zinc/94/48/13/1190944813.db2.gz MJVXIPDUFHRMHT-PMPSAXMXSA-N 2 2 359.474 0.601 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000986416542 1190982949 /nfs/dbraw/zinc/98/29/49/1190982949.db2.gz GVXZBYUWRXPYLB-CVEARBPZSA-N 2 2 371.485 0.888 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986573603 1191041878 /nfs/dbraw/zinc/04/18/78/1191041878.db2.gz JIMOQGTXFVCHLH-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986573603 1191041881 /nfs/dbraw/zinc/04/18/81/1191041881.db2.gz JIMOQGTXFVCHLH-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1)C1CCC1 ZINC000986577067 1191044291 /nfs/dbraw/zinc/04/42/91/1191044291.db2.gz NOMAIXQNQHSRSV-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001059730542 1191050469 /nfs/dbraw/zinc/05/04/69/1191050469.db2.gz JINDOHCSFVXUBO-HLLBOEOZSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001059730542 1191050474 /nfs/dbraw/zinc/05/04/74/1191050474.db2.gz JINDOHCSFVXUBO-HLLBOEOZSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC001088505779 1191061948 /nfs/dbraw/zinc/06/19/48/1191061948.db2.gz UVFWUEAREVRTRS-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC001088505779 1191061952 /nfs/dbraw/zinc/06/19/52/1191061952.db2.gz UVFWUEAREVRTRS-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccnc(N(C)C)c1 ZINC001088505779 1191061955 /nfs/dbraw/zinc/06/19/55/1191061955.db2.gz UVFWUEAREVRTRS-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccnc(N(C)C)c1 ZINC001088505779 1191061957 /nfs/dbraw/zinc/06/19/57/1191061957.db2.gz UVFWUEAREVRTRS-HYVNUMGLSA-N 2 2 361.490 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(CO)ccc1F ZINC001088506196 1191063171 /nfs/dbraw/zinc/06/31/71/1191063171.db2.gz LSOJSHVJRVKCNJ-JEBQAFNWSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(CO)ccc1F ZINC001088506196 1191063173 /nfs/dbraw/zinc/06/31/73/1191063173.db2.gz LSOJSHVJRVKCNJ-JEBQAFNWSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(CO)ccc1F ZINC001088506196 1191063178 /nfs/dbraw/zinc/06/31/78/1191063178.db2.gz LSOJSHVJRVKCNJ-JEBQAFNWSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(CO)ccc1F ZINC001088506196 1191063183 /nfs/dbraw/zinc/06/31/83/1191063183.db2.gz LSOJSHVJRVKCNJ-JEBQAFNWSA-N 2 2 365.449 0.728 20 0 FCADLP COC(=O)N1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000729604433 1191106072 /nfs/dbraw/zinc/10/60/72/1191106072.db2.gz YWGCCQLUGSETIT-UHFFFAOYSA-N 2 2 369.510 0.885 20 0 FCADLP COC(=O)N1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000729604433 1191106074 /nfs/dbraw/zinc/10/60/74/1191106074.db2.gz YWGCCQLUGSETIT-UHFFFAOYSA-N 2 2 369.510 0.885 20 0 FCADLP CCOCCNC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276762909 1224128997 /nfs/dbraw/zinc/12/89/97/1224128997.db2.gz NLRRTIORBLWLEB-MRXNPFEDSA-N 2 2 366.506 0.015 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1 ZINC000988111833 1191150647 /nfs/dbraw/zinc/15/06/47/1191150647.db2.gz XCNWUGRCEMXHBV-KBMXLJTQSA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1 ZINC000988111833 1191150650 /nfs/dbraw/zinc/15/06/50/1191150650.db2.gz XCNWUGRCEMXHBV-KBMXLJTQSA-N 2 2 363.462 0.018 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000988269703 1191171255 /nfs/dbraw/zinc/17/12/55/1191171255.db2.gz NKLZKRYASJOZID-HRCADAONSA-N 2 2 361.490 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000988269703 1191171258 /nfs/dbraw/zinc/17/12/58/1191171258.db2.gz NKLZKRYASJOZID-HRCADAONSA-N 2 2 361.490 0.989 20 0 FCADLP COC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(O[C@H]3C[C@H]4C[NH2+]CCN4C3)cc12 ZINC001218079280 1224139356 /nfs/dbraw/zinc/13/93/56/1224139356.db2.gz XZQAYPNXJPTLJP-JLJPHGGASA-N 2 2 358.442 0.636 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001276786216 1224161317 /nfs/dbraw/zinc/16/13/17/1224161317.db2.gz FNAQHXHQQJZOIO-UHFFFAOYSA-N 2 2 359.474 0.774 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000550654112 1193725068 /nfs/dbraw/zinc/72/50/68/1193725068.db2.gz LNPLIUSBZFVWHY-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000550654112 1193725073 /nfs/dbraw/zinc/72/50/73/1193725073.db2.gz LNPLIUSBZFVWHY-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000550654112 1193725075 /nfs/dbraw/zinc/72/50/75/1193725075.db2.gz LNPLIUSBZFVWHY-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000550654112 1193725082 /nfs/dbraw/zinc/72/50/82/1193725082.db2.gz LNPLIUSBZFVWHY-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001691582289 1193734097 /nfs/dbraw/zinc/73/40/97/1193734097.db2.gz ZDRVBSMXVOYCIK-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001691582289 1193734099 /nfs/dbraw/zinc/73/40/99/1193734099.db2.gz ZDRVBSMXVOYCIK-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001691582289 1193734102 /nfs/dbraw/zinc/73/41/02/1193734102.db2.gz ZDRVBSMXVOYCIK-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001691582289 1193734103 /nfs/dbraw/zinc/73/41/03/1193734103.db2.gz ZDRVBSMXVOYCIK-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001691581928 1193735808 /nfs/dbraw/zinc/73/58/08/1193735808.db2.gz ITEMFLLPKYSNDX-CVEARBPZSA-N 2 2 361.490 0.813 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001691581928 1193735811 /nfs/dbraw/zinc/73/58/11/1193735811.db2.gz ITEMFLLPKYSNDX-CVEARBPZSA-N 2 2 361.490 0.813 20 0 FCADLP CCOC(=O)c1ncn2c1cccc2NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218532072 1224168375 /nfs/dbraw/zinc/16/83/75/1224168375.db2.gz ZMHHCHDCNMWPII-LBPRGKRZSA-N 2 2 356.386 0.753 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000551036393 1193828713 /nfs/dbraw/zinc/82/87/13/1193828713.db2.gz UCDMWJVDCMKFLL-WBVHZDCISA-N 2 2 357.458 0.677 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000551038124 1193829632 /nfs/dbraw/zinc/82/96/32/1193829632.db2.gz SIDVUPZLVOXNOU-AWEZNQCLSA-N 2 2 365.478 0.393 20 0 FCADLP CCOC(=O)c1ncn(Cc2ccccc2)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218549842 1224171736 /nfs/dbraw/zinc/17/17/36/1224171736.db2.gz TUHNSAPCISRFGP-KGLIPLIRSA-N 2 2 357.414 0.736 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000551346775 1193851358 /nfs/dbraw/zinc/85/13/58/1193851358.db2.gz DKSSKZHTUBNTEF-MRXNPFEDSA-N 2 2 361.490 0.677 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000551346775 1193851360 /nfs/dbraw/zinc/85/13/60/1193851360.db2.gz DKSSKZHTUBNTEF-MRXNPFEDSA-N 2 2 361.490 0.677 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105646020 1193853498 /nfs/dbraw/zinc/85/34/98/1193853498.db2.gz GWONLVBXJAGPOG-ZAWLATJESA-N 2 2 364.490 0.886 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000551860861 1193875052 /nfs/dbraw/zinc/87/50/52/1193875052.db2.gz MZSRVGVOYQVJMW-HZPDHXFCSA-N 2 2 365.478 0.395 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582081 1224178183 /nfs/dbraw/zinc/17/81/83/1224178183.db2.gz LVQPAAYQCFHOCL-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582081 1224178188 /nfs/dbraw/zinc/17/81/88/1224178188.db2.gz LVQPAAYQCFHOCL-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105667797 1193942165 /nfs/dbraw/zinc/94/21/65/1193942165.db2.gz TXSYYLNLEGXHBB-OHDICMOHSA-N 2 2 364.490 0.955 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105667798 1193942390 /nfs/dbraw/zinc/94/23/90/1193942390.db2.gz TXSYYLNLEGXHBB-RGCFKVTRSA-N 2 2 364.490 0.955 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668716 1193953723 /nfs/dbraw/zinc/95/37/23/1193953723.db2.gz YMCLCWPUTHAIFE-ZAWLATJESA-N 2 2 364.490 0.575 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]cn3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668710 1193954027 /nfs/dbraw/zinc/95/40/27/1193954027.db2.gz YMCLCWPUTHAIFE-FPAYPSAMSA-N 2 2 364.490 0.575 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000552861029 1193956042 /nfs/dbraw/zinc/95/60/42/1193956042.db2.gz IANXIWBFUWXUFT-UHFFFAOYSA-N 2 2 373.501 0.681 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218599652 1224180152 /nfs/dbraw/zinc/18/01/52/1224180152.db2.gz DCPLVXJVRQPFTJ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218599652 1224180157 /nfs/dbraw/zinc/18/01/57/1224180157.db2.gz DCPLVXJVRQPFTJ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218620227 1224183562 /nfs/dbraw/zinc/18/35/62/1224183562.db2.gz JOWZILOMBKYVKE-YOEHRIQHSA-N 3 2 359.474 0.378 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218651291 1224191186 /nfs/dbraw/zinc/19/11/86/1224191186.db2.gz YJNRIIHCMYUFKQ-XYVMCAHJSA-N 2 2 362.474 0.862 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001218651291 1224191192 /nfs/dbraw/zinc/19/11/92/1224191192.db2.gz YJNRIIHCMYUFKQ-XYVMCAHJSA-N 2 2 362.474 0.862 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000842194804 1194087365 /nfs/dbraw/zinc/08/73/65/1194087365.db2.gz ZCOLEBVLAITBNG-GOSISDBHSA-N 2 2 373.501 0.691 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814983 1194093304 /nfs/dbraw/zinc/09/33/04/1194093304.db2.gz RUNTVESAWNTCGM-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814983 1194093307 /nfs/dbraw/zinc/09/33/07/1194093307.db2.gz RUNTVESAWNTCGM-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814983 1194093312 /nfs/dbraw/zinc/09/33/12/1194093312.db2.gz RUNTVESAWNTCGM-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814983 1194093316 /nfs/dbraw/zinc/09/33/16/1194093316.db2.gz RUNTVESAWNTCGM-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218659023 1224192356 /nfs/dbraw/zinc/19/23/56/1224192356.db2.gz GMPXJPSNPAMNRE-MFKMUULPSA-N 2 2 361.377 0.816 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521616 1194136611 /nfs/dbraw/zinc/13/66/11/1194136611.db2.gz ASVAQKWHQGNOAM-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521616 1194136612 /nfs/dbraw/zinc/13/66/12/1194136612.db2.gz ASVAQKWHQGNOAM-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521616 1194136613 /nfs/dbraw/zinc/13/66/13/1194136613.db2.gz ASVAQKWHQGNOAM-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)ncn1 ZINC001083521616 1194136614 /nfs/dbraw/zinc/13/66/14/1194136614.db2.gz ASVAQKWHQGNOAM-NXHRZFHOSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N3CCC3)[C@@H]1C)CC2 ZINC001088821595 1194150171 /nfs/dbraw/zinc/15/01/71/1194150171.db2.gz DMDLJVFHHPQDOJ-KMFMINBZSA-N 2 2 359.474 0.565 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N3CCC3)[C@@H]1C)CC2 ZINC001088821595 1194150174 /nfs/dbraw/zinc/15/01/74/1194150174.db2.gz DMDLJVFHHPQDOJ-KMFMINBZSA-N 2 2 359.474 0.565 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083524139 1194155785 /nfs/dbraw/zinc/15/57/85/1194155785.db2.gz JJTATUOMIAZYDF-SQNIBIBYSA-N 2 2 370.453 0.614 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083524139 1194155787 /nfs/dbraw/zinc/15/57/87/1194155787.db2.gz JJTATUOMIAZYDF-SQNIBIBYSA-N 2 2 370.453 0.614 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524754 1194156307 /nfs/dbraw/zinc/15/63/07/1194156307.db2.gz IXCJNWRMJUWDBB-NXHRZFHOSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524754 1194156311 /nfs/dbraw/zinc/15/63/11/1194156311.db2.gz IXCJNWRMJUWDBB-NXHRZFHOSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524754 1194156312 /nfs/dbraw/zinc/15/63/12/1194156312.db2.gz IXCJNWRMJUWDBB-NXHRZFHOSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524754 1194156316 /nfs/dbraw/zinc/15/63/16/1194156316.db2.gz IXCJNWRMJUWDBB-NXHRZFHOSA-N 2 2 361.490 0.709 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525035 1194159365 /nfs/dbraw/zinc/15/93/65/1194159365.db2.gz WOFONAPRQNFATK-SQNIBIBYSA-N 2 2 361.490 0.488 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525035 1194159369 /nfs/dbraw/zinc/15/93/69/1194159369.db2.gz WOFONAPRQNFATK-SQNIBIBYSA-N 2 2 361.490 0.488 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001076070353 1194292327 /nfs/dbraw/zinc/29/23/27/1194292327.db2.gz FMPCBWKRHIJSKA-SYPMSLAUSA-N 2 2 358.442 0.571 20 0 FCADLP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001076070353 1194292329 /nfs/dbraw/zinc/29/23/29/1194292329.db2.gz FMPCBWKRHIJSKA-SYPMSLAUSA-N 2 2 358.442 0.571 20 0 FCADLP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001076070353 1194292336 /nfs/dbraw/zinc/29/23/36/1194292336.db2.gz FMPCBWKRHIJSKA-SYPMSLAUSA-N 2 2 358.442 0.571 20 0 FCADLP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001076070353 1194292342 /nfs/dbraw/zinc/29/23/42/1194292342.db2.gz FMPCBWKRHIJSKA-SYPMSLAUSA-N 2 2 358.442 0.571 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085917 1194298798 /nfs/dbraw/zinc/29/87/98/1194298798.db2.gz HVMQGJFBFQDEEY-CGTJXYLNSA-N 2 2 358.490 0.722 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085917 1194298802 /nfs/dbraw/zinc/29/88/02/1194298802.db2.gz HVMQGJFBFQDEEY-CGTJXYLNSA-N 2 2 358.490 0.722 20 0 FCADLP COC(=O)[C@@H](C)CN1CC[C@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276794129 1224207369 /nfs/dbraw/zinc/20/73/69/1224207369.db2.gz AYSQOBCFFSYZOE-QMTMVMCOSA-N 2 2 369.506 0.611 20 0 FCADLP COC(=O)[C@@H](C)CN1CC[C@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276794129 1224207376 /nfs/dbraw/zinc/20/73/76/1224207376.db2.gz AYSQOBCFFSYZOE-QMTMVMCOSA-N 2 2 369.506 0.611 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161453 1194335562 /nfs/dbraw/zinc/33/55/62/1194335562.db2.gz NWSZAQBIRXAIAA-XYJFISCASA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161453 1194335565 /nfs/dbraw/zinc/33/55/65/1194335565.db2.gz NWSZAQBIRXAIAA-XYJFISCASA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161453 1194335568 /nfs/dbraw/zinc/33/55/68/1194335568.db2.gz NWSZAQBIRXAIAA-XYJFISCASA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161453 1194335569 /nfs/dbraw/zinc/33/55/69/1194335569.db2.gz NWSZAQBIRXAIAA-XYJFISCASA-N 2 2 360.506 0.970 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406538 1194451820 /nfs/dbraw/zinc/45/18/20/1194451820.db2.gz PXMCFVWTAYSYFZ-XJKSGUPXSA-N 2 2 354.414 0.160 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406538 1194451826 /nfs/dbraw/zinc/45/18/26/1194451826.db2.gz PXMCFVWTAYSYFZ-XJKSGUPXSA-N 2 2 354.414 0.160 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)CC1 ZINC001076407641 1194452949 /nfs/dbraw/zinc/45/29/49/1194452949.db2.gz OLFNIRFWGLOOAA-DOTOQJQBSA-N 2 2 359.474 0.620 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CC[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)CC1 ZINC001076407641 1194452963 /nfs/dbraw/zinc/45/29/63/1194452963.db2.gz OLFNIRFWGLOOAA-DOTOQJQBSA-N 2 2 359.474 0.620 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001218789701 1224222685 /nfs/dbraw/zinc/22/26/85/1224222685.db2.gz PWNDECIQXADTJF-ZWKOTPCHSA-N 2 2 367.490 0.047 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001218789701 1224222698 /nfs/dbraw/zinc/22/26/98/1224222698.db2.gz PWNDECIQXADTJF-ZWKOTPCHSA-N 2 2 367.490 0.047 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076517613 1194533465 /nfs/dbraw/zinc/53/34/65/1194533465.db2.gz OWFCMAJXHVRBJJ-JKIFEVAISA-N 2 2 359.474 0.553 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076517613 1194533467 /nfs/dbraw/zinc/53/34/67/1194533467.db2.gz OWFCMAJXHVRBJJ-JKIFEVAISA-N 2 2 359.474 0.553 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(C)n1 ZINC001076574561 1194572041 /nfs/dbraw/zinc/57/20/41/1194572041.db2.gz JJNODEMPMNYVBR-DOTOQJQBSA-N 2 2 359.474 0.922 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(C)n1 ZINC001076574561 1194572051 /nfs/dbraw/zinc/57/20/51/1194572051.db2.gz JJNODEMPMNYVBR-DOTOQJQBSA-N 2 2 359.474 0.922 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218797625 1224225416 /nfs/dbraw/zinc/22/54/16/1224225416.db2.gz ICHSOXKFOUQNQL-BFUOFWGJSA-N 3 2 370.457 0.976 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001076576488 1194583317 /nfs/dbraw/zinc/58/33/17/1194583317.db2.gz NVFQUVCOMHGEDQ-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC001076576488 1194583322 /nfs/dbraw/zinc/58/33/22/1194583322.db2.gz NVFQUVCOMHGEDQ-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796112 1224228990 /nfs/dbraw/zinc/22/89/90/1224228990.db2.gz WPXVPSLOJIMTRV-APWZRJJASA-N 3 2 363.506 0.594 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796112 1224228998 /nfs/dbraw/zinc/22/89/98/1224228998.db2.gz WPXVPSLOJIMTRV-APWZRJJASA-N 3 2 363.506 0.594 20 0 FCADLP COCCCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276795999 1224227502 /nfs/dbraw/zinc/22/75/02/1224227502.db2.gz SZUUXZVJUJMTGA-APWZRJJASA-N 2 2 371.522 0.323 20 0 FCADLP COCCCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276795999 1224227507 /nfs/dbraw/zinc/22/75/07/1224227507.db2.gz SZUUXZVJUJMTGA-APWZRJJASA-N 2 2 371.522 0.323 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819928 1224231208 /nfs/dbraw/zinc/23/12/08/1224231208.db2.gz SBPQWGBMGCFGSB-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819928 1224231219 /nfs/dbraw/zinc/23/12/19/1224231219.db2.gz SBPQWGBMGCFGSB-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218819459 1224231585 /nfs/dbraw/zinc/23/15/85/1224231585.db2.gz DZMSHKIDQKXEHK-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218819459 1224231595 /nfs/dbraw/zinc/23/15/95/1224231595.db2.gz DZMSHKIDQKXEHK-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077007217 1195141543 /nfs/dbraw/zinc/14/15/43/1195141543.db2.gz DVYMZYALGXEZRF-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001077007217 1195141545 /nfs/dbraw/zinc/14/15/45/1195141545.db2.gz DVYMZYALGXEZRF-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218943753 1224268343 /nfs/dbraw/zinc/26/83/43/1224268343.db2.gz ACEMGDODJGDCGB-WBMJQRKESA-N 2 2 372.473 0.236 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)O1 ZINC001083565167 1195258240 /nfs/dbraw/zinc/25/82/40/1195258240.db2.gz FABQQAFSBPECTD-PPRPKMEESA-N 2 2 373.497 0.556 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)O1 ZINC001083565167 1195258248 /nfs/dbraw/zinc/25/82/48/1195258248.db2.gz FABQQAFSBPECTD-PPRPKMEESA-N 2 2 373.497 0.556 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)O1 ZINC001083565167 1195258252 /nfs/dbraw/zinc/25/82/52/1195258252.db2.gz FABQQAFSBPECTD-PPRPKMEESA-N 2 2 373.497 0.556 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2O)O1 ZINC001083565167 1195258258 /nfs/dbraw/zinc/25/82/58/1195258258.db2.gz FABQQAFSBPECTD-PPRPKMEESA-N 2 2 373.497 0.556 20 0 FCADLP CC[C@@]1(c2ccc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)cc2)CCC(=O)NC1=O ZINC001218950491 1224269861 /nfs/dbraw/zinc/26/98/61/1224269861.db2.gz UJTDQEWHVCPDJG-IPZZXCBHSA-N 2 2 370.453 0.931 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)O1 ZINC001077220300 1195329321 /nfs/dbraw/zinc/32/93/21/1195329321.db2.gz JCPBIAZVLAOOSD-BYNBJNPRSA-N 2 2 372.469 0.548 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)O1 ZINC001077220300 1195329325 /nfs/dbraw/zinc/32/93/25/1195329325.db2.gz JCPBIAZVLAOOSD-BYNBJNPRSA-N 2 2 372.469 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)O1 ZINC001077220300 1195329330 /nfs/dbraw/zinc/32/93/30/1195329330.db2.gz JCPBIAZVLAOOSD-BYNBJNPRSA-N 2 2 372.469 0.548 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)O1 ZINC001077220300 1195329336 /nfs/dbraw/zinc/32/93/36/1195329336.db2.gz JCPBIAZVLAOOSD-BYNBJNPRSA-N 2 2 372.469 0.548 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077260792 1195365018 /nfs/dbraw/zinc/36/50/18/1195365018.db2.gz WBDAFHMJTUQKBO-ZTFGCOKTSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)C2 ZINC001077260792 1195365022 /nfs/dbraw/zinc/36/50/22/1195365022.db2.gz WBDAFHMJTUQKBO-ZTFGCOKTSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077260792 1195365027 /nfs/dbraw/zinc/36/50/27/1195365027.db2.gz WBDAFHMJTUQKBO-ZTFGCOKTSA-N 2 2 362.474 0.411 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CCOCC3)C[C@H]1O)CC2 ZINC001077260792 1195365032 /nfs/dbraw/zinc/36/50/32/1195365032.db2.gz WBDAFHMJTUQKBO-ZTFGCOKTSA-N 2 2 362.474 0.411 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570766 1195377198 /nfs/dbraw/zinc/37/71/98/1195377198.db2.gz NUDMWMDIMMECNY-MAZHCROVSA-N 2 2 367.413 0.117 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570766 1195377202 /nfs/dbraw/zinc/37/72/02/1195377202.db2.gz NUDMWMDIMMECNY-MAZHCROVSA-N 2 2 367.413 0.117 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276193 1195377934 /nfs/dbraw/zinc/37/79/34/1195377934.db2.gz RDLDZHGINZRHJH-HZPDHXFCSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276193 1195377940 /nfs/dbraw/zinc/37/79/40/1195377940.db2.gz RDLDZHGINZRHJH-HZPDHXFCSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(C)n1 ZINC001077300082 1195399571 /nfs/dbraw/zinc/39/95/71/1195399571.db2.gz XEVGQRXKMHYJDH-QZTJIDSGSA-N 2 2 358.486 0.988 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c(C)n1 ZINC001077300082 1195399575 /nfs/dbraw/zinc/39/95/75/1195399575.db2.gz XEVGQRXKMHYJDH-QZTJIDSGSA-N 2 2 358.486 0.988 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001077312157 1195415789 /nfs/dbraw/zinc/41/57/89/1195415789.db2.gz QEBCHBLECNFTDL-HZPDHXFCSA-N 2 2 370.413 0.433 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001077312157 1195415802 /nfs/dbraw/zinc/41/58/02/1195415802.db2.gz QEBCHBLECNFTDL-HZPDHXFCSA-N 2 2 370.413 0.433 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077312077 1195416570 /nfs/dbraw/zinc/41/65/70/1195416570.db2.gz NDTGYRRKAZJOFS-RTBURBONSA-N 2 2 366.421 0.802 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077312077 1195416577 /nfs/dbraw/zinc/41/65/77/1195416577.db2.gz NDTGYRRKAZJOFS-RTBURBONSA-N 2 2 366.421 0.802 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572161 1195426635 /nfs/dbraw/zinc/42/66/35/1195426635.db2.gz CTDAKUBSBGUCMJ-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572161 1195426642 /nfs/dbraw/zinc/42/66/42/1195426642.db2.gz CTDAKUBSBGUCMJ-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572161 1195426649 /nfs/dbraw/zinc/42/66/49/1195426649.db2.gz CTDAKUBSBGUCMJ-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572161 1195426659 /nfs/dbraw/zinc/42/66/59/1195426659.db2.gz CTDAKUBSBGUCMJ-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@H]1O ZINC001077392957 1195490574 /nfs/dbraw/zinc/49/05/74/1195490574.db2.gz ZAEZNKRPOPSNRW-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1O ZINC001077392957 1195490578 /nfs/dbraw/zinc/49/05/78/1195490578.db2.gz ZAEZNKRPOPSNRW-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077394819 1195491958 /nfs/dbraw/zinc/49/19/58/1195491958.db2.gz GDMHIRCNWUNCIR-SJLPKXTDSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001077394819 1195491960 /nfs/dbraw/zinc/49/19/60/1195491960.db2.gz GDMHIRCNWUNCIR-SJLPKXTDSA-N 2 2 357.458 0.619 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077399655 1195499560 /nfs/dbraw/zinc/49/95/60/1195499560.db2.gz UGRIOQMLHOMPMS-QGPMSJSTSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077399655 1195499565 /nfs/dbraw/zinc/49/95/65/1195499565.db2.gz UGRIOQMLHOMPMS-QGPMSJSTSA-N 2 2 362.474 0.492 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001219006815 1224286683 /nfs/dbraw/zinc/28/66/83/1224286683.db2.gz ZEGCODHFNZFDAP-DLBZAZTESA-N 2 2 364.494 0.148 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001219006815 1224286686 /nfs/dbraw/zinc/28/66/86/1224286686.db2.gz ZEGCODHFNZFDAP-DLBZAZTESA-N 2 2 364.494 0.148 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001219006815 1224286691 /nfs/dbraw/zinc/28/66/91/1224286691.db2.gz ZEGCODHFNZFDAP-DLBZAZTESA-N 2 2 364.494 0.148 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@@H]21 ZINC001219006815 1224286695 /nfs/dbraw/zinc/28/66/95/1224286695.db2.gz ZEGCODHFNZFDAP-DLBZAZTESA-N 2 2 364.494 0.148 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580165 1195528572 /nfs/dbraw/zinc/52/85/72/1195528572.db2.gz UINPORQTDCSDCN-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083579908 1195529055 /nfs/dbraw/zinc/52/90/55/1195529055.db2.gz HZTPCZWAWIJYHT-IPELMVKDSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083579908 1195529061 /nfs/dbraw/zinc/52/90/61/1195529061.db2.gz HZTPCZWAWIJYHT-IPELMVKDSA-N 2 2 370.453 0.686 20 0 FCADLP C[C@@](O)(C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(F)F ZINC000905107803 1195575577 /nfs/dbraw/zinc/57/55/77/1195575577.db2.gz CCRLMEBJPUUGJY-SUMWQHHRSA-N 2 2 371.432 0.888 20 0 FCADLP C[NH+](C)CCN1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000905378679 1195584578 /nfs/dbraw/zinc/58/45/78/1195584578.db2.gz NTELBQCBDZAGDK-UHFFFAOYSA-N 2 2 363.506 0.140 20 0 FCADLP CC(C)(C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000906725975 1195656579 /nfs/dbraw/zinc/65/65/79/1195656579.db2.gz UTESYSKMFUQSBB-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccccc1NC(=O)c1cnccn1 ZINC001219021008 1224296189 /nfs/dbraw/zinc/29/61/89/1224296189.db2.gz WITQLRMPPVZAOA-ZDUSSCGKSA-N 2 2 365.397 0.971 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000907835947 1195714797 /nfs/dbraw/zinc/71/47/97/1195714797.db2.gz LDKMGAZYYULGCK-MRXNPFEDSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000907835947 1195714799 /nfs/dbraw/zinc/71/47/99/1195714799.db2.gz LDKMGAZYYULGCK-MRXNPFEDSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000907835947 1195714800 /nfs/dbraw/zinc/71/48/00/1195714800.db2.gz LDKMGAZYYULGCK-MRXNPFEDSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000907835947 1195714808 /nfs/dbraw/zinc/71/48/08/1195714808.db2.gz LDKMGAZYYULGCK-MRXNPFEDSA-N 2 2 369.506 0.831 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000911030685 1195880805 /nfs/dbraw/zinc/88/08/05/1195880805.db2.gz ZOQALYJRABFUIP-ZDUSSCGKSA-N 2 2 359.405 0.825 20 0 FCADLP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000911033280 1195881799 /nfs/dbraw/zinc/88/17/99/1195881799.db2.gz YXYSTPXMJGREOG-YESZJQIVSA-N 2 2 366.506 0.394 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911067205 1195885178 /nfs/dbraw/zinc/88/51/78/1195885178.db2.gz DRHLPUMZUQGFOW-INIZCTEOSA-N 2 2 359.474 0.946 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)[nH+]c12 ZINC000911077057 1195886351 /nfs/dbraw/zinc/88/63/51/1195886351.db2.gz ARCPATKJDFDKBN-OAHLLOKOSA-N 2 2 357.458 0.950 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360714 1196321972 /nfs/dbraw/zinc/32/19/72/1196321972.db2.gz NEVGCOFUYWCOFJ-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360714 1196321976 /nfs/dbraw/zinc/32/19/76/1196321976.db2.gz NEVGCOFUYWCOFJ-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2ccnn2C)CC3)O1 ZINC000991360714 1196321979 /nfs/dbraw/zinc/32/19/79/1196321979.db2.gz NEVGCOFUYWCOFJ-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360714 1196321982 /nfs/dbraw/zinc/32/19/82/1196321982.db2.gz NEVGCOFUYWCOFJ-MYZZLAAOSA-N 2 2 361.490 0.752 20 0 FCADLP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)[C@H](CO)C1 ZINC000912747051 1196366241 /nfs/dbraw/zinc/36/62/41/1196366241.db2.gz YCSDQIYOULAHGU-IBGZPJMESA-N 2 2 361.486 0.639 20 0 FCADLP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)[C@H](CO)C1 ZINC000912747051 1196366244 /nfs/dbraw/zinc/36/62/44/1196366244.db2.gz YCSDQIYOULAHGU-IBGZPJMESA-N 2 2 361.486 0.639 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444293 1196409575 /nfs/dbraw/zinc/40/95/75/1196409575.db2.gz RXGDOZKEFRDTMI-KURKYZTESA-N 2 2 361.490 0.264 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444293 1196409584 /nfs/dbraw/zinc/40/95/84/1196409584.db2.gz RXGDOZKEFRDTMI-KURKYZTESA-N 2 2 361.490 0.264 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000592962408 1196601941 /nfs/dbraw/zinc/60/19/41/1196601941.db2.gz DZBTUONKLCENOD-GOSISDBHSA-N 2 2 374.485 0.411 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC1 ZINC001088952171 1196846400 /nfs/dbraw/zinc/84/64/00/1196846400.db2.gz BYONXBNAPUPYSG-HIFRSBDPSA-N 2 2 364.494 0.308 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC1 ZINC001088952171 1196846401 /nfs/dbraw/zinc/84/64/01/1196846401.db2.gz BYONXBNAPUPYSG-HIFRSBDPSA-N 2 2 364.494 0.308 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCN1CCNC1=O ZINC001088985507 1196857252 /nfs/dbraw/zinc/85/72/52/1196857252.db2.gz BLITZAOCWCTPSK-HIFRSBDPSA-N 2 2 360.462 0.365 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCN1CCNC1=O ZINC001088985507 1196857253 /nfs/dbraw/zinc/85/72/53/1196857253.db2.gz BLITZAOCWCTPSK-HIFRSBDPSA-N 2 2 360.462 0.365 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053212 1196876459 /nfs/dbraw/zinc/87/64/59/1196876459.db2.gz NNFKETRVAMLDNA-HLLBOEOZSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053212 1196876461 /nfs/dbraw/zinc/87/64/61/1196876461.db2.gz NNFKETRVAMLDNA-HLLBOEOZSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053212 1196876463 /nfs/dbraw/zinc/87/64/63/1196876463.db2.gz NNFKETRVAMLDNA-HLLBOEOZSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053212 1196876465 /nfs/dbraw/zinc/87/64/65/1196876465.db2.gz NNFKETRVAMLDNA-HLLBOEOZSA-N 2 2 364.494 0.406 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)CC[N@@H+]1C ZINC000992090044 1196948716 /nfs/dbraw/zinc/94/87/16/1196948716.db2.gz OAXKGIKTANQGJU-CZUORRHYSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)CC[N@H+]1C ZINC000992090044 1196948725 /nfs/dbraw/zinc/94/87/25/1196948725.db2.gz OAXKGIKTANQGJU-CZUORRHYSA-N 2 2 368.441 0.548 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC000992224551 1197024936 /nfs/dbraw/zinc/02/49/36/1197024936.db2.gz WWJYXWLUWJDEMJ-MXHNKVEKSA-N 2 2 371.485 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992224551 1197024940 /nfs/dbraw/zinc/02/49/40/1197024940.db2.gz WWJYXWLUWJDEMJ-MXHNKVEKSA-N 2 2 371.485 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC000992224552 1197025028 /nfs/dbraw/zinc/02/50/28/1197025028.db2.gz WWJYXWLUWJDEMJ-RNKNFESXSA-N 2 2 371.485 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992224552 1197025032 /nfs/dbraw/zinc/02/50/32/1197025032.db2.gz WWJYXWLUWJDEMJ-RNKNFESXSA-N 2 2 371.485 0.869 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459123 1197087898 /nfs/dbraw/zinc/08/78/98/1197087898.db2.gz CNDFUDNNYVPCDD-SJLPKXTDSA-N 2 2 358.446 0.654 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001272459123 1197087902 /nfs/dbraw/zinc/08/79/02/1197087902.db2.gz CNDFUDNNYVPCDD-SJLPKXTDSA-N 2 2 358.446 0.654 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)c1 ZINC000913757765 1197124934 /nfs/dbraw/zinc/12/49/34/1197124934.db2.gz UBLXNNSFSXWDKR-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)C2)c1 ZINC000913757765 1197124938 /nfs/dbraw/zinc/12/49/38/1197124938.db2.gz UBLXNNSFSXWDKR-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)C2)c1 ZINC000913757765 1197124942 /nfs/dbraw/zinc/12/49/42/1197124942.db2.gz UBLXNNSFSXWDKR-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@H](O)C[NH+]3C)C2)c1 ZINC000913757765 1197124948 /nfs/dbraw/zinc/12/49/48/1197124948.db2.gz UBLXNNSFSXWDKR-NSHGMRRFSA-N 2 2 361.486 0.767 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C2 ZINC000914083714 1197221495 /nfs/dbraw/zinc/22/14/95/1197221495.db2.gz XJAJBSNNTGSFOQ-RXYDEIHYSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C2 ZINC000914083714 1197221512 /nfs/dbraw/zinc/22/15/12/1197221512.db2.gz XJAJBSNNTGSFOQ-RXYDEIHYSA-N 2 2 368.522 0.486 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000992685452 1197301197 /nfs/dbraw/zinc/30/11/97/1197301197.db2.gz CAKCMLBMTJVORZ-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000992685452 1197301202 /nfs/dbraw/zinc/30/12/02/1197301202.db2.gz CAKCMLBMTJVORZ-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C)C(N)=O ZINC001106153428 1197310459 /nfs/dbraw/zinc/31/04/59/1197310459.db2.gz AZCKTUMRXSLSGO-FMKPAKJESA-N 2 2 361.490 0.710 20 0 FCADLP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)C[NH2+]CCC[NH3+] ZINC001219262014 1224406441 /nfs/dbraw/zinc/40/64/41/1224406441.db2.gz IGRNTWSTGTWMBX-UHFFFAOYSA-N 3 2 361.446 0.729 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085308858 1197809803 /nfs/dbraw/zinc/80/98/03/1197809803.db2.gz MHNZYBHTZNRKAK-BRWVUGGUSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085308858 1197809806 /nfs/dbraw/zinc/80/98/06/1197809806.db2.gz MHNZYBHTZNRKAK-BRWVUGGUSA-N 2 2 364.494 0.441 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106274839 1197815406 /nfs/dbraw/zinc/81/54/06/1197815406.db2.gz XSMHABHWXFCTIS-DTZQCDIJSA-N 2 2 359.474 0.724 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106274839 1197815411 /nfs/dbraw/zinc/81/54/11/1197815411.db2.gz XSMHABHWXFCTIS-DTZQCDIJSA-N 2 2 359.474 0.724 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106278694 1197819814 /nfs/dbraw/zinc/81/98/14/1197819814.db2.gz HSIREXZFKPRLTI-DTZQCDIJSA-N 2 2 359.474 0.724 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106278694 1197819815 /nfs/dbraw/zinc/81/98/15/1197819815.db2.gz HSIREXZFKPRLTI-DTZQCDIJSA-N 2 2 359.474 0.724 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085337706 1197831488 /nfs/dbraw/zinc/83/14/88/1197831488.db2.gz PBRKPRITZTWTOK-KLHDSHLOSA-N 2 2 374.489 0.566 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001085394176 1197862346 /nfs/dbraw/zinc/86/23/46/1197862346.db2.gz XWSYTOYTBDCYCV-HUUCEWRRSA-N 2 2 361.446 0.129 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001085394451 1197862818 /nfs/dbraw/zinc/86/28/18/1197862818.db2.gz LYTINOPCTJXUME-IAGOWNOFSA-N 2 2 357.458 0.879 20 0 FCADLP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085393828 1197865737 /nfs/dbraw/zinc/86/57/37/1197865737.db2.gz MHNMUFCOXUKSIL-HUUCEWRRSA-N 2 2 360.466 0.576 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106333721 1197869389 /nfs/dbraw/zinc/86/93/89/1197869389.db2.gz OCKYFWAFIKAXMD-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106333525 1197869404 /nfs/dbraw/zinc/86/94/04/1197869404.db2.gz LNDVGRZQNJELEN-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001085422103 1197887114 /nfs/dbraw/zinc/88/71/14/1197887114.db2.gz HXHNPHVWKBKGIM-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001085422103 1197887118 /nfs/dbraw/zinc/88/71/18/1197887118.db2.gz HXHNPHVWKBKGIM-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP CC(C)(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438295 1197908210 /nfs/dbraw/zinc/90/82/10/1197908210.db2.gz GCQJMWDLMIDWNE-ZIAGYGMSSA-N 2 2 360.466 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001106461524 1197942077 /nfs/dbraw/zinc/94/20/77/1197942077.db2.gz BOEJKAPAVAQIOW-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106474871 1197956149 /nfs/dbraw/zinc/95/61/49/1197956149.db2.gz WFFMPCIITWABDK-KURKYZTESA-N 2 2 371.522 0.180 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106474871 1197956164 /nfs/dbraw/zinc/95/61/64/1197956164.db2.gz WFFMPCIITWABDK-KURKYZTESA-N 2 2 371.522 0.180 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001085604300 1197957227 /nfs/dbraw/zinc/95/72/27/1197957227.db2.gz CUINWIGEKLEJQA-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001085604300 1197957235 /nfs/dbraw/zinc/95/72/35/1197957235.db2.gz CUINWIGEKLEJQA-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001085604300 1197957253 /nfs/dbraw/zinc/95/72/53/1197957253.db2.gz CUINWIGEKLEJQA-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001085604300 1197957269 /nfs/dbraw/zinc/95/72/69/1197957269.db2.gz CUINWIGEKLEJQA-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085671531 1197979121 /nfs/dbraw/zinc/97/91/21/1197979121.db2.gz ZOOWBXDBZFBBFU-XOKHGSTOSA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085671531 1197979137 /nfs/dbraw/zinc/97/91/37/1197979137.db2.gz ZOOWBXDBZFBBFU-XOKHGSTOSA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085671531 1197979142 /nfs/dbraw/zinc/97/91/42/1197979142.db2.gz ZOOWBXDBZFBBFU-XOKHGSTOSA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085671531 1197979148 /nfs/dbraw/zinc/97/91/48/1197979148.db2.gz ZOOWBXDBZFBBFU-XOKHGSTOSA-N 2 2 364.494 0.147 20 0 FCADLP CN1Cc2cc(NC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)ccc2N(C)C1=O ZINC001219396342 1224453245 /nfs/dbraw/zinc/45/32/45/1224453245.db2.gz UHSCWRZJFKKKEN-OAHLLOKOSA-N 2 2 360.462 0.377 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001066496220 1198315671 /nfs/dbraw/zinc/31/56/71/1198315671.db2.gz GBEKPHNVLCHNED-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)c1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400582 1198356399 /nfs/dbraw/zinc/35/63/99/1198356399.db2.gz NKFAEYKLWFFPDL-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400582 1198356408 /nfs/dbraw/zinc/35/64/08/1198356408.db2.gz NKFAEYKLWFFPDL-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP C[C@H](C(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1)n1cc[nH+]c1 ZINC001273429085 1198359032 /nfs/dbraw/zinc/35/90/32/1198359032.db2.gz CPHQIRKCOCKVCX-CLCXKQKWSA-N 2 2 359.474 0.988 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccccc1C(=O)N[C@@H]1CC[C@@H]([NH3+])CC1 ZINC001169075504 1199044084 /nfs/dbraw/zinc/04/40/84/1199044084.db2.gz RZRGQJYLYATBCA-RBSFLKMASA-N 3 2 357.458 0.734 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129334337 1199071155 /nfs/dbraw/zinc/07/11/55/1199071155.db2.gz ZQHYSKTXBZHHAK-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129334337 1199071159 /nfs/dbraw/zinc/07/11/59/1199071159.db2.gz ZQHYSKTXBZHHAK-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665815 1224551214 /nfs/dbraw/zinc/55/12/14/1224551214.db2.gz YBHXJSJAKMSMPE-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665815 1224551219 /nfs/dbraw/zinc/55/12/19/1224551219.db2.gz YBHXJSJAKMSMPE-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665815 1224551225 /nfs/dbraw/zinc/55/12/25/1224551225.db2.gz YBHXJSJAKMSMPE-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665815 1224551231 /nfs/dbraw/zinc/55/12/31/1224551231.db2.gz YBHXJSJAKMSMPE-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725505 1224578367 /nfs/dbraw/zinc/57/83/67/1224578367.db2.gz FIIKVIJMNIPWBO-QRVBRYPASA-N 4 2 371.529 0.294 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725505 1224578373 /nfs/dbraw/zinc/57/83/73/1224578373.db2.gz FIIKVIJMNIPWBO-QRVBRYPASA-N 4 2 371.529 0.294 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129385093 1200093794 /nfs/dbraw/zinc/09/37/94/1200093794.db2.gz HOHQFRPBMFKMSB-CVEARBPZSA-N 2 2 363.441 0.736 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1n1ccnn1 ZINC001129385093 1200093808 /nfs/dbraw/zinc/09/38/08/1200093808.db2.gz HOHQFRPBMFKMSB-CVEARBPZSA-N 2 2 363.441 0.736 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285555 1200145756 /nfs/dbraw/zinc/14/57/56/1200145756.db2.gz LRLMXSORVGGBLC-QZWWFDLISA-N 2 2 358.442 0.985 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285555 1200145763 /nfs/dbraw/zinc/14/57/63/1200145763.db2.gz LRLMXSORVGGBLC-QZWWFDLISA-N 2 2 358.442 0.985 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001109294016 1200150773 /nfs/dbraw/zinc/15/07/73/1200150773.db2.gz KZNCRPGMEHVSLR-BDXSIMOUSA-N 2 2 360.502 0.576 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001109294016 1200150784 /nfs/dbraw/zinc/15/07/84/1200150784.db2.gz KZNCRPGMEHVSLR-BDXSIMOUSA-N 2 2 360.502 0.576 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305458 1200160734 /nfs/dbraw/zinc/16/07/34/1200160734.db2.gz KHPNUPVVXCLSMI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305458 1200160737 /nfs/dbraw/zinc/16/07/37/1200160737.db2.gz KHPNUPVVXCLSMI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305458 1200160742 /nfs/dbraw/zinc/16/07/42/1200160742.db2.gz KHPNUPVVXCLSMI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305458 1200160747 /nfs/dbraw/zinc/16/07/47/1200160747.db2.gz KHPNUPVVXCLSMI-MTSZKFMLSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001109304921 1200161486 /nfs/dbraw/zinc/16/14/86/1200161486.db2.gz ANZLWGXEDLJYHI-XQZMSQOBSA-N 2 2 374.485 0.958 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)CC[N@H+]1C ZINC001109304921 1200161491 /nfs/dbraw/zinc/16/14/91/1200161491.db2.gz ANZLWGXEDLJYHI-XQZMSQOBSA-N 2 2 374.485 0.958 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)CC[NH+]1C ZINC001109304921 1200161502 /nfs/dbraw/zinc/16/15/02/1200161502.db2.gz ANZLWGXEDLJYHI-XQZMSQOBSA-N 2 2 374.485 0.958 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)CC[NH+]1C ZINC001109304921 1200161507 /nfs/dbraw/zinc/16/15/07/1200161507.db2.gz ANZLWGXEDLJYHI-XQZMSQOBSA-N 2 2 374.485 0.958 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443180 1200287090 /nfs/dbraw/zinc/28/70/90/1200287090.db2.gz YBUUNBCZTBBKDQ-UHDSXZAQSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443180 1200287095 /nfs/dbraw/zinc/28/70/95/1200287095.db2.gz YBUUNBCZTBBKDQ-UHDSXZAQSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109443180 1200287101 /nfs/dbraw/zinc/28/71/01/1200287101.db2.gz YBUUNBCZTBBKDQ-UHDSXZAQSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109443180 1200287106 /nfs/dbraw/zinc/28/71/06/1200287106.db2.gz YBUUNBCZTBBKDQ-UHDSXZAQSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001109445871 1200291207 /nfs/dbraw/zinc/29/12/07/1200291207.db2.gz CALARJFQOZLNFT-XDNAFOTISA-N 2 2 373.501 0.760 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001109445871 1200291219 /nfs/dbraw/zinc/29/12/19/1200291219.db2.gz CALARJFQOZLNFT-XDNAFOTISA-N 2 2 373.501 0.760 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001109465072 1200304076 /nfs/dbraw/zinc/30/40/76/1200304076.db2.gz KDOQXMCIRRRALV-MQYQWHSLSA-N 2 2 367.494 0.282 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC ZINC001109465072 1200304085 /nfs/dbraw/zinc/30/40/85/1200304085.db2.gz KDOQXMCIRRRALV-MQYQWHSLSA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001109465072 1200304093 /nfs/dbraw/zinc/30/40/93/1200304093.db2.gz KDOQXMCIRRRALV-MQYQWHSLSA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001109465072 1200304099 /nfs/dbraw/zinc/30/40/99/1200304099.db2.gz KDOQXMCIRRRALV-MQYQWHSLSA-N 2 2 367.494 0.282 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109549118 1200374832 /nfs/dbraw/zinc/37/48/32/1200374832.db2.gz KPTCQASDDWWKTL-YVSFHVDLSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109549118 1200374841 /nfs/dbraw/zinc/37/48/41/1200374841.db2.gz KPTCQASDDWWKTL-YVSFHVDLSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109549117 1200375255 /nfs/dbraw/zinc/37/52/55/1200375255.db2.gz KPTCQASDDWWKTL-NCOADZHNSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109549117 1200375261 /nfs/dbraw/zinc/37/52/61/1200375261.db2.gz KPTCQASDDWWKTL-NCOADZHNSA-N 2 2 373.501 0.991 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109655015 1200447233 /nfs/dbraw/zinc/44/72/33/1200447233.db2.gz DXDPWHAIZFVFGC-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109655015 1200447240 /nfs/dbraw/zinc/44/72/40/1200447240.db2.gz DXDPWHAIZFVFGC-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP Cn1cc(N2CC[C@@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001109674441 1200461379 /nfs/dbraw/zinc/46/13/79/1200461379.db2.gz JGUHMONIPYKZHW-BSWAZPDLSA-N 2 2 374.489 0.199 20 0 FCADLP Cn1cc(N2CC[C@@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001109674441 1200461386 /nfs/dbraw/zinc/46/13/86/1200461386.db2.gz JGUHMONIPYKZHW-BSWAZPDLSA-N 2 2 374.489 0.199 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674516 1200462123 /nfs/dbraw/zinc/46/21/23/1200462123.db2.gz OISKQDGRZLPNNI-ILXRZTDVSA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674516 1200462130 /nfs/dbraw/zinc/46/21/30/1200462130.db2.gz OISKQDGRZLPNNI-ILXRZTDVSA-N 2 2 367.494 0.141 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001109714338 1200479598 /nfs/dbraw/zinc/47/95/98/1200479598.db2.gz HFGWIHZQGWSDPX-QPSCCSFWSA-N 2 2 367.494 0.284 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001109714338 1200479600 /nfs/dbraw/zinc/47/96/00/1200479600.db2.gz HFGWIHZQGWSDPX-QPSCCSFWSA-N 2 2 367.494 0.284 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCNC1=O ZINC001109728920 1200490422 /nfs/dbraw/zinc/49/04/22/1200490422.db2.gz JSGQEVKSLLEBBT-XWSJACJDSA-N 2 2 370.497 0.771 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCNC1=O ZINC001109728920 1200490427 /nfs/dbraw/zinc/49/04/27/1200490427.db2.gz JSGQEVKSLLEBBT-XWSJACJDSA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001109728920 1200490431 /nfs/dbraw/zinc/49/04/31/1200490431.db2.gz JSGQEVKSLLEBBT-XWSJACJDSA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001109728920 1200490435 /nfs/dbraw/zinc/49/04/35/1200490435.db2.gz JSGQEVKSLLEBBT-XWSJACJDSA-N 2 2 370.497 0.771 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109839725 1200549915 /nfs/dbraw/zinc/54/99/15/1200549915.db2.gz BHIHLYHFMRHGOF-IKGGRYGDSA-N 2 2 359.474 0.926 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109839725 1200549924 /nfs/dbraw/zinc/54/99/24/1200549924.db2.gz BHIHLYHFMRHGOF-IKGGRYGDSA-N 2 2 359.474 0.926 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843109 1200556397 /nfs/dbraw/zinc/55/63/97/1200556397.db2.gz CHJZKWNOUKNXQS-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843109 1200556404 /nfs/dbraw/zinc/55/64/04/1200556404.db2.gz CHJZKWNOUKNXQS-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864706 1200574618 /nfs/dbraw/zinc/57/46/18/1200574618.db2.gz PVFZECSAJYLGMG-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864706 1200574628 /nfs/dbraw/zinc/57/46/28/1200574628.db2.gz PVFZECSAJYLGMG-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800728 1224621882 /nfs/dbraw/zinc/62/18/82/1224621882.db2.gz VIDPCEIMROTCBD-WDYWZEPKSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800728 1224621886 /nfs/dbraw/zinc/62/18/86/1224621886.db2.gz VIDPCEIMROTCBD-WDYWZEPKSA-N 2 2 363.506 0.721 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977586 1200659519 /nfs/dbraw/zinc/65/95/19/1200659519.db2.gz PZEQXXKUUUZYMJ-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977586 1200659522 /nfs/dbraw/zinc/65/95/22/1200659522.db2.gz PZEQXXKUUUZYMJ-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980357 1200663098 /nfs/dbraw/zinc/66/30/98/1200663098.db2.gz MUOXFUNMMXAPHD-IKGGRYGDSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980357 1200663101 /nfs/dbraw/zinc/66/31/01/1200663101.db2.gz MUOXFUNMMXAPHD-IKGGRYGDSA-N 2 2 368.522 0.591 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981305 1200666553 /nfs/dbraw/zinc/66/65/53/1200666553.db2.gz OGDBQGHGYRNRHK-YVSFHVDLSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981305 1200666554 /nfs/dbraw/zinc/66/65/54/1200666554.db2.gz OGDBQGHGYRNRHK-YVSFHVDLSA-N 2 2 362.518 0.964 20 0 FCADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1[NH2+]CCc2cc(F)ccc21 ZINC001219805797 1224625336 /nfs/dbraw/zinc/62/53/36/1224625336.db2.gz DCADBOYBYKZRSF-GOSISDBHSA-N 2 2 371.416 0.379 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2)NCC1CC1 ZINC001112551495 1200773007 /nfs/dbraw/zinc/77/30/07/1200773007.db2.gz CXUHXJLEXOKNBI-KXBFYZLASA-N 2 2 359.474 0.697 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590610 1200830178 /nfs/dbraw/zinc/83/01/78/1200830178.db2.gz GOZSZWZDUMKHBS-LPHOPBHVSA-N 2 2 361.490 0.968 20 0 FCADLP Cc1[nH+]ccn1CCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787001650 1200859264 /nfs/dbraw/zinc/85/92/64/1200859264.db2.gz SZGXLCOZXZSBDN-MRXNPFEDSA-N 2 2 364.446 0.448 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219829913 1224640559 /nfs/dbraw/zinc/64/05/59/1224640559.db2.gz IHLJZSVVAFAWIT-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219829913 1224640562 /nfs/dbraw/zinc/64/05/62/1224640562.db2.gz IHLJZSVVAFAWIT-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219829913 1224640564 /nfs/dbraw/zinc/64/05/64/1224640564.db2.gz IHLJZSVVAFAWIT-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001219829913 1224640567 /nfs/dbraw/zinc/64/05/67/1224640567.db2.gz IHLJZSVVAFAWIT-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000788915153 1200982090 /nfs/dbraw/zinc/98/20/90/1200982090.db2.gz JGCVYTHVKSWNJW-OAHLLOKOSA-N 2 2 365.478 0.211 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000788915153 1200982095 /nfs/dbraw/zinc/98/20/95/1200982095.db2.gz JGCVYTHVKSWNJW-OAHLLOKOSA-N 2 2 365.478 0.211 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609544 1201216773 /nfs/dbraw/zinc/21/67/73/1201216773.db2.gz LPMDIVAXOHMAAG-RYQLBKOJSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609544 1201216778 /nfs/dbraw/zinc/21/67/78/1201216778.db2.gz LPMDIVAXOHMAAG-RYQLBKOJSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001086609544 1201216785 /nfs/dbraw/zinc/21/67/85/1201216785.db2.gz LPMDIVAXOHMAAG-RYQLBKOJSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001086609544 1201216788 /nfs/dbraw/zinc/21/67/88/1201216788.db2.gz LPMDIVAXOHMAAG-RYQLBKOJSA-N 2 2 358.486 0.801 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncnc2c1C[NH+](C)CC2 ZINC001113921098 1201219125 /nfs/dbraw/zinc/21/91/25/1201219125.db2.gz JHXFHOHPSKNAGJ-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1ncnc2c1C[NH+](C)CC2 ZINC001113921098 1201219128 /nfs/dbraw/zinc/21/91/28/1201219128.db2.gz JHXFHOHPSKNAGJ-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113921098 1201219132 /nfs/dbraw/zinc/21/91/32/1201219132.db2.gz JHXFHOHPSKNAGJ-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113921098 1201219136 /nfs/dbraw/zinc/21/91/36/1201219136.db2.gz JHXFHOHPSKNAGJ-RRFJBIMHSA-N 2 2 360.506 0.746 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461628 1201328123 /nfs/dbraw/zinc/32/81/23/1201328123.db2.gz XYHVQZUQGPIFGL-CABCVRRESA-N 2 2 361.450 0.456 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461628 1201328128 /nfs/dbraw/zinc/32/81/28/1201328128.db2.gz XYHVQZUQGPIFGL-CABCVRRESA-N 2 2 361.450 0.456 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461628 1201328133 /nfs/dbraw/zinc/32/81/33/1201328133.db2.gz XYHVQZUQGPIFGL-CABCVRRESA-N 2 2 361.450 0.456 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461628 1201328138 /nfs/dbraw/zinc/32/81/38/1201328138.db2.gz XYHVQZUQGPIFGL-CABCVRRESA-N 2 2 361.450 0.456 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803354 1201397817 /nfs/dbraw/zinc/39/78/17/1201397817.db2.gz HMJFCGXJFWJREG-KFWWJZLASA-N 2 2 361.450 0.137 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COc1ccccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129901528 1201433821 /nfs/dbraw/zinc/43/38/21/1201433821.db2.gz YUHXXWAUTOAKOA-BFHYXJOUSA-N 2 2 362.405 0.798 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COc1ccccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129901528 1201433824 /nfs/dbraw/zinc/43/38/24/1201433824.db2.gz YUHXXWAUTOAKOA-BFHYXJOUSA-N 2 2 362.405 0.798 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129940940 1201439091 /nfs/dbraw/zinc/43/90/91/1201439091.db2.gz BKCDARRGIGRCFF-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930396 1201446379 /nfs/dbraw/zinc/44/63/79/1201446379.db2.gz FRAQTTKYBDXXAE-ZBFHGGJFSA-N 2 2 369.429 0.618 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001130000634 1201467518 /nfs/dbraw/zinc/46/75/18/1201467518.db2.gz HPMZGCIDMLRCFZ-CFVMTHIKSA-N 2 2 359.434 0.109 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130000659 1201467637 /nfs/dbraw/zinc/46/76/37/1201467637.db2.gz IMFKEQZEMHDSHB-CFVMTHIKSA-N 2 2 361.425 0.822 20 0 FCADLP COCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130023895 1201473632 /nfs/dbraw/zinc/47/36/32/1201473632.db2.gz CSKLEXGSDNONPJ-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910722 1224678072 /nfs/dbraw/zinc/67/80/72/1224678072.db2.gz PTULNKKLOLVUHF-SJORKVTESA-N 2 2 358.446 0.003 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910722 1224678076 /nfs/dbraw/zinc/67/80/76/1224678076.db2.gz PTULNKKLOLVUHF-SJORKVTESA-N 2 2 358.446 0.003 20 0 FCADLP CCCCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151450 1201517120 /nfs/dbraw/zinc/51/71/20/1201517120.db2.gz RJIBIXRUENQNHF-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc3ccccc3c(=O)[nH]2)O1 ZINC001130180130 1201524509 /nfs/dbraw/zinc/52/45/09/1201524509.db2.gz CEBIUMZTEFIVTA-IUODEOHRSA-N 2 2 359.430 0.260 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc3ccccc3c(=O)[nH]2)O1 ZINC001130180130 1201524512 /nfs/dbraw/zinc/52/45/12/1201524512.db2.gz CEBIUMZTEFIVTA-IUODEOHRSA-N 2 2 359.430 0.260 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001130193130 1201530696 /nfs/dbraw/zinc/53/06/96/1201530696.db2.gz JWLVCYKBHZPQNJ-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001130193130 1201530697 /nfs/dbraw/zinc/53/06/97/1201530697.db2.gz JWLVCYKBHZPQNJ-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193130 1201530701 /nfs/dbraw/zinc/53/07/01/1201530701.db2.gz JWLVCYKBHZPQNJ-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130193130 1201530704 /nfs/dbraw/zinc/53/07/04/1201530704.db2.gz JWLVCYKBHZPQNJ-KKUMJFAQSA-N 2 2 364.494 0.777 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130238083 1201561576 /nfs/dbraw/zinc/56/15/76/1201561576.db2.gz SLHISKZUAWOEEP-RDBSUJKOSA-N 2 2 368.457 0.194 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)C1 ZINC001130238083 1201561579 /nfs/dbraw/zinc/56/15/79/1201561579.db2.gz SLHISKZUAWOEEP-RDBSUJKOSA-N 2 2 368.457 0.194 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130238083 1201561584 /nfs/dbraw/zinc/56/15/84/1201561584.db2.gz SLHISKZUAWOEEP-RDBSUJKOSA-N 2 2 368.457 0.194 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)C1 ZINC001130238083 1201561586 /nfs/dbraw/zinc/56/15/86/1201561586.db2.gz SLHISKZUAWOEEP-RDBSUJKOSA-N 2 2 368.457 0.194 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(C)cc2)N2CCC[NH2+]CC2)C[NH2+]1 ZINC001219968031 1224706041 /nfs/dbraw/zinc/70/60/41/1224706041.db2.gz SWOPEXNRNGLTOX-SQNIBIBYSA-N 2 2 374.485 0.351 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130637575 1202740409 /nfs/dbraw/zinc/74/04/09/1202740409.db2.gz AEUQGUMHKXPSTB-HLLBOEOZSA-N 2 2 360.462 0.626 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)[C@@H](O)C2)cn1 ZINC001220070490 1224743774 /nfs/dbraw/zinc/74/37/74/1224743774.db2.gz RUNGHYGUJUJVLA-SJORKVTESA-N 2 2 363.506 0.594 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)[C@@H](O)C2)cn1 ZINC001220070490 1224743781 /nfs/dbraw/zinc/74/37/81/1224743781.db2.gz RUNGHYGUJUJVLA-SJORKVTESA-N 2 2 363.506 0.594 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719403 1202765956 /nfs/dbraw/zinc/76/59/56/1202765956.db2.gz OFNKLRIJPTZMOX-HACGYAERSA-N 2 2 360.462 0.613 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072233 1224745486 /nfs/dbraw/zinc/74/54/86/1224745486.db2.gz LUFHGVALMTUOQP-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072233 1224745488 /nfs/dbraw/zinc/74/54/88/1224745488.db2.gz LUFHGVALMTUOQP-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078008 1224747263 /nfs/dbraw/zinc/74/72/63/1224747263.db2.gz FTVIRSPPFOYROF-CVEARBPZSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078008 1224747271 /nfs/dbraw/zinc/74/72/71/1224747271.db2.gz FTVIRSPPFOYROF-CVEARBPZSA-N 2 2 368.522 0.279 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130141 1202868666 /nfs/dbraw/zinc/86/86/66/1202868666.db2.gz AXVRPIGTRNORIO-HZPDHXFCSA-N 2 2 360.462 0.627 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086665206 1202887407 /nfs/dbraw/zinc/88/74/07/1202887407.db2.gz WNAHANIDAPIBAB-XHSDSOJGSA-N 2 2 364.494 0.564 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086665206 1202887408 /nfs/dbraw/zinc/88/74/08/1202887408.db2.gz WNAHANIDAPIBAB-XHSDSOJGSA-N 2 2 364.494 0.564 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086665023 1202887477 /nfs/dbraw/zinc/88/74/77/1202887477.db2.gz NPGRZMIBINIMGQ-RRFJBIMHSA-N 2 2 365.478 0.898 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086665023 1202887480 /nfs/dbraw/zinc/88/74/80/1202887480.db2.gz NPGRZMIBINIMGQ-RRFJBIMHSA-N 2 2 365.478 0.898 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC001086665257 1202888334 /nfs/dbraw/zinc/88/83/34/1202888334.db2.gz YTADUYCYTXHOCW-NWANDNLSSA-N 2 2 363.462 0.652 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC001086665257 1202888338 /nfs/dbraw/zinc/88/83/38/1202888338.db2.gz YTADUYCYTXHOCW-NWANDNLSSA-N 2 2 363.462 0.652 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001090499935 1202890397 /nfs/dbraw/zinc/89/03/97/1202890397.db2.gz MSIUELAXHBBFFR-INMHGKMJSA-N 2 2 361.490 0.914 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131592940 1202917158 /nfs/dbraw/zinc/91/71/58/1202917158.db2.gz DFVHHNWPYGWLQR-YJLNNSPDSA-N 2 2 364.490 0.983 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NCc1ccccc1 ZINC001134045474 1203010860 /nfs/dbraw/zinc/01/08/60/1203010860.db2.gz HRVKGIWNKLKZIG-USXIJHARSA-N 2 2 369.469 0.934 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737222 1203063563 /nfs/dbraw/zinc/06/35/63/1203063563.db2.gz BNYVDDUPTQASDM-BFHYXJOUSA-N 2 2 358.450 0.044 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)c1cccc2[nH+]ccn21 ZINC001086756611 1203079352 /nfs/dbraw/zinc/07/93/52/1203079352.db2.gz HWZHDEQBNJDRRB-LSDHHAIUSA-N 2 2 370.457 0.848 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](NC(C)=O)C3)cc2)CC1 ZINC000817282924 1203099591 /nfs/dbraw/zinc/09/95/91/1203099591.db2.gz QRNQYSZXKKBLBN-GOSISDBHSA-N 2 2 373.501 0.977 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](NC(C)=O)C3)cc2)CC1 ZINC000817282924 1203099593 /nfs/dbraw/zinc/09/95/93/1203099593.db2.gz QRNQYSZXKKBLBN-GOSISDBHSA-N 2 2 373.501 0.977 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001086800487 1203099970 /nfs/dbraw/zinc/09/99/70/1203099970.db2.gz OJUJMRJNBRTNOH-RRFJBIMHSA-N 2 2 357.462 0.996 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220105766 1224765976 /nfs/dbraw/zinc/76/59/76/1224765976.db2.gz KXWJLIYAQUFJMJ-IKGGRYGDSA-N 2 2 362.405 0.307 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001220105766 1224765983 /nfs/dbraw/zinc/76/59/83/1224765983.db2.gz KXWJLIYAQUFJMJ-IKGGRYGDSA-N 2 2 362.405 0.307 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@]4(CCC[NH2+]4)C3)CC2)c1 ZINC000817916588 1203126303 /nfs/dbraw/zinc/12/63/03/1203126303.db2.gz IAKFDXFATIDNED-OAQYLSRUSA-N 2 2 370.497 0.994 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000820296592 1203182827 /nfs/dbraw/zinc/18/28/27/1203182827.db2.gz WGWPABCXCDKGNR-CABCVRRESA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000820296592 1203182834 /nfs/dbraw/zinc/18/28/34/1203182834.db2.gz WGWPABCXCDKGNR-CABCVRRESA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296592 1203182836 /nfs/dbraw/zinc/18/28/36/1203182836.db2.gz WGWPABCXCDKGNR-CABCVRRESA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296592 1203182839 /nfs/dbraw/zinc/18/28/39/1203182839.db2.gz WGWPABCXCDKGNR-CABCVRRESA-N 2 2 361.490 0.496 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)ccc2[nH]c1=O ZINC000821135942 1203199601 /nfs/dbraw/zinc/19/96/01/1203199601.db2.gz XTNQKSPCUSHOQF-HNNXBMFYSA-N 2 2 372.473 0.033 20 0 FCADLP Cn1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1-n1cnnc1 ZINC001136491265 1203215040 /nfs/dbraw/zinc/21/50/40/1203215040.db2.gz KNAFGCDQNILZOS-UHFFFAOYSA-N 2 2 372.477 0.289 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)n2C ZINC001136492011 1203215085 /nfs/dbraw/zinc/21/50/85/1203215085.db2.gz NSHCRIYHVJFGHH-QWHCGFSZSA-N 2 2 358.446 0.627 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)n2C ZINC001136492011 1203215087 /nfs/dbraw/zinc/21/50/87/1203215087.db2.gz NSHCRIYHVJFGHH-QWHCGFSZSA-N 2 2 358.446 0.627 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C)[NH+](C)C ZINC001090742515 1203280123 /nfs/dbraw/zinc/28/01/23/1203280123.db2.gz JNJHMDBXTMOKDQ-XYPHTWIQSA-N 2 2 360.506 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C)[NH+](C)C ZINC001090742515 1203280129 /nfs/dbraw/zinc/28/01/29/1203280129.db2.gz JNJHMDBXTMOKDQ-XYPHTWIQSA-N 2 2 360.506 0.746 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107826 1203288431 /nfs/dbraw/zinc/28/84/31/1203288431.db2.gz WSRWDTJASRJDIB-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107826 1203288438 /nfs/dbraw/zinc/28/84/38/1203288438.db2.gz WSRWDTJASRJDIB-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107827 1203288603 /nfs/dbraw/zinc/28/86/03/1203288603.db2.gz WSRWDTJASRJDIB-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107827 1203288606 /nfs/dbraw/zinc/28/86/06/1203288606.db2.gz WSRWDTJASRJDIB-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107886 1203289695 /nfs/dbraw/zinc/28/96/95/1203289695.db2.gz YRILXPBPMOOLAM-NCOADZHNSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107886 1203289700 /nfs/dbraw/zinc/28/97/00/1203289700.db2.gz YRILXPBPMOOLAM-NCOADZHNSA-N 2 2 366.506 0.201 20 0 FCADLP Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107884 1203290357 /nfs/dbraw/zinc/29/03/57/1203290357.db2.gz YQXMPYMUTGBNEI-OAOYMFHYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C3)cn1 ZINC001110107884 1203290363 /nfs/dbraw/zinc/29/03/63/1203290363.db2.gz YQXMPYMUTGBNEI-OAOYMFHYSA-N 2 2 373.501 0.975 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001143354036 1203318072 /nfs/dbraw/zinc/31/80/72/1203318072.db2.gz VBFBTWPZPYTOCI-UHFFFAOYSA-N 2 2 357.462 0.987 20 0 FCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000844184302 1203338697 /nfs/dbraw/zinc/33/86/97/1203338697.db2.gz IGXWXZUFLVRIBE-RBUKOAKNSA-N 2 2 361.486 0.815 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)o1 ZINC001220229099 1224810473 /nfs/dbraw/zinc/81/04/73/1224810473.db2.gz MLGXIMWDYCORKK-CABCVRRESA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)o1 ZINC001220229099 1224810475 /nfs/dbraw/zinc/81/04/75/1224810475.db2.gz MLGXIMWDYCORKK-CABCVRRESA-N 2 2 364.490 0.939 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC1 ZINC001220231031 1224811012 /nfs/dbraw/zinc/81/10/12/1224811012.db2.gz XHLXOWRBAJLOAL-CVEARBPZSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC1 ZINC001220231031 1224811014 /nfs/dbraw/zinc/81/10/14/1224811014.db2.gz XHLXOWRBAJLOAL-CVEARBPZSA-N 2 2 363.506 0.641 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237698 1224812418 /nfs/dbraw/zinc/81/24/18/1224812418.db2.gz BJSODLYKYDQRBE-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237698 1224812420 /nfs/dbraw/zinc/81/24/20/1224812420.db2.gz BJSODLYKYDQRBE-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268787 1224817239 /nfs/dbraw/zinc/81/72/39/1224817239.db2.gz IJPWYJZEJPNGKF-UAGQMJEPSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268787 1224817240 /nfs/dbraw/zinc/81/72/40/1224817240.db2.gz IJPWYJZEJPNGKF-UAGQMJEPSA-N 2 2 368.522 0.040 20 0 FCADLP COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220296748 1224822551 /nfs/dbraw/zinc/82/25/51/1224822551.db2.gz WWRKQIQVYLFKLQ-FCNFAXOHSA-N 2 2 370.453 0.980 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096694 1204513125 /nfs/dbraw/zinc/51/31/25/1204513125.db2.gz XWTDUDTZDUHGRW-TWRYWWQQSA-N 2 2 364.494 0.310 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096694 1204513132 /nfs/dbraw/zinc/51/31/32/1204513132.db2.gz XWTDUDTZDUHGRW-TWRYWWQQSA-N 2 2 364.494 0.310 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342826 1224835292 /nfs/dbraw/zinc/83/52/92/1224835292.db2.gz PFFOOKQXDIGROG-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342826 1224835295 /nfs/dbraw/zinc/83/52/95/1224835295.db2.gz PFFOOKQXDIGROG-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000846356596 1204620263 /nfs/dbraw/zinc/62/02/63/1204620263.db2.gz HRJOYERNROOIFO-ROUUACIJSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000846356596 1204620266 /nfs/dbraw/zinc/62/02/66/1204620266.db2.gz HRJOYERNROOIFO-ROUUACIJSA-N 2 2 358.486 0.569 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001091227277 1204628380 /nfs/dbraw/zinc/62/83/80/1204628380.db2.gz KCLKQYALPFJJJV-ZFWWWQNUSA-N 2 2 357.462 0.742 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC001144944444 1204664712 /nfs/dbraw/zinc/66/47/12/1204664712.db2.gz NKWUAVCBJPQHRA-JKSUJKDBSA-N 2 2 360.414 0.199 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846831004 1204667493 /nfs/dbraw/zinc/66/74/93/1204667493.db2.gz GJRRKZJTRHUBBF-SFHVURJKSA-N 2 2 365.478 0.914 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835609 1204669134 /nfs/dbraw/zinc/66/91/34/1204669134.db2.gz MBMIZCWAWNSYPW-LSDHHAIUSA-N 2 2 363.462 0.899 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835609 1204669136 /nfs/dbraw/zinc/66/91/36/1204669136.db2.gz MBMIZCWAWNSYPW-LSDHHAIUSA-N 2 2 363.462 0.899 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543940 1204708408 /nfs/dbraw/zinc/70/84/08/1204708408.db2.gz RAQGPHZLGBJKBW-AYBZRNKSSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543940 1204708415 /nfs/dbraw/zinc/70/84/15/1204708415.db2.gz RAQGPHZLGBJKBW-AYBZRNKSSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091543940 1204708422 /nfs/dbraw/zinc/70/84/22/1204708422.db2.gz RAQGPHZLGBJKBW-AYBZRNKSSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091543940 1204708428 /nfs/dbraw/zinc/70/84/28/1204708428.db2.gz RAQGPHZLGBJKBW-AYBZRNKSSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369775 1224846386 /nfs/dbraw/zinc/84/63/86/1224846386.db2.gz QJTKEYOSZROSQB-OIISXLGYSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369775 1224846390 /nfs/dbraw/zinc/84/63/90/1224846390.db2.gz QJTKEYOSZROSQB-OIISXLGYSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@@H](C)[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369775 1224846392 /nfs/dbraw/zinc/84/63/92/1224846392.db2.gz QJTKEYOSZROSQB-OIISXLGYSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@@H](C)[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369775 1224846393 /nfs/dbraw/zinc/84/63/93/1224846393.db2.gz QJTKEYOSZROSQB-OIISXLGYSA-N 2 2 363.506 0.985 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001220373031 1224848074 /nfs/dbraw/zinc/84/80/74/1224848074.db2.gz WXFWMMHLDJZDBR-MOPGFXCFSA-N 2 2 371.485 0.219 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001220373031 1224848077 /nfs/dbraw/zinc/84/80/77/1224848077.db2.gz WXFWMMHLDJZDBR-MOPGFXCFSA-N 2 2 371.485 0.219 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220373031 1224848080 /nfs/dbraw/zinc/84/80/80/1224848080.db2.gz WXFWMMHLDJZDBR-MOPGFXCFSA-N 2 2 371.485 0.219 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220373031 1224848084 /nfs/dbraw/zinc/84/80/84/1224848084.db2.gz WXFWMMHLDJZDBR-MOPGFXCFSA-N 2 2 371.485 0.219 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O)[NH+](C)C ZINC001220381512 1224849658 /nfs/dbraw/zinc/84/96/58/1224849658.db2.gz RBDSRFFGXFHACD-QYZOEREBSA-N 2 2 371.485 0.874 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O)[NH+](C)C ZINC001220381512 1224849666 /nfs/dbraw/zinc/84/96/66/1224849666.db2.gz RBDSRFFGXFHACD-QYZOEREBSA-N 2 2 371.485 0.874 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O)[NH+](C)C ZINC001220379913 1224850118 /nfs/dbraw/zinc/85/01/18/1224850118.db2.gz JMKZVOLCKGKJDS-ILXRZTDVSA-N 2 2 363.462 0.061 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O)[NH+](C)C ZINC001220379913 1224850123 /nfs/dbraw/zinc/85/01/23/1224850123.db2.gz JMKZVOLCKGKJDS-ILXRZTDVSA-N 2 2 363.462 0.061 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O)[NH+](C)C ZINC001220379644 1224850311 /nfs/dbraw/zinc/85/03/11/1224850311.db2.gz CEVGODWINJFYBL-IKGGRYGDSA-N 2 2 368.522 0.135 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O)[NH+](C)C ZINC001220379644 1224850315 /nfs/dbraw/zinc/85/03/15/1224850315.db2.gz CEVGODWINJFYBL-IKGGRYGDSA-N 2 2 368.522 0.135 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220385625 1224851330 /nfs/dbraw/zinc/85/13/30/1224851330.db2.gz KIKCZJWKCWGJGG-JQHSSLGASA-N 2 2 362.474 0.244 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220385625 1224851335 /nfs/dbraw/zinc/85/13/35/1224851335.db2.gz KIKCZJWKCWGJGG-JQHSSLGASA-N 2 2 362.474 0.244 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001091632736 1204785163 /nfs/dbraw/zinc/78/51/63/1204785163.db2.gz HCFVQOFOAZEXOC-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001091632736 1204785165 /nfs/dbraw/zinc/78/51/65/1204785165.db2.gz HCFVQOFOAZEXOC-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635444 1204791269 /nfs/dbraw/zinc/79/12/69/1204791269.db2.gz QYOKYUPJKYVSHV-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635444 1204791273 /nfs/dbraw/zinc/79/12/73/1204791273.db2.gz QYOKYUPJKYVSHV-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091678505 1204818091 /nfs/dbraw/zinc/81/80/91/1204818091.db2.gz GEFXTBIZLZRKAX-VIPLHTEESA-N 2 2 358.486 0.927 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001091678505 1204818092 /nfs/dbraw/zinc/81/80/92/1204818092.db2.gz GEFXTBIZLZRKAX-VIPLHTEESA-N 2 2 358.486 0.927 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)n1 ZINC001091677709 1204818216 /nfs/dbraw/zinc/81/82/16/1204818216.db2.gz RQYZYTFLMLMROV-AYBZRNKSSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)n1 ZINC001091677709 1204818217 /nfs/dbraw/zinc/81/82/17/1204818217.db2.gz RQYZYTFLMLMROV-AYBZRNKSSA-N 2 2 358.490 0.437 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091691771 1204822816 /nfs/dbraw/zinc/82/28/16/1204822816.db2.gz YOFMUIFCIWAOOG-LPMFXHHGSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091691771 1204822818 /nfs/dbraw/zinc/82/28/18/1204822818.db2.gz YOFMUIFCIWAOOG-LPMFXHHGSA-N 2 2 359.474 0.416 20 0 FCADLP COCCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298841 1204826262 /nfs/dbraw/zinc/82/62/62/1204826262.db2.gz UUYSJUMMAVKXBP-HZPDHXFCSA-N 2 2 362.474 0.721 20 0 FCADLP COCCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298841 1204826264 /nfs/dbraw/zinc/82/62/64/1204826264.db2.gz UUYSJUMMAVKXBP-HZPDHXFCSA-N 2 2 362.474 0.721 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720820 1204832200 /nfs/dbraw/zinc/83/22/00/1204832200.db2.gz CXZJEPDPRPGIRV-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720820 1204832202 /nfs/dbraw/zinc/83/22/02/1204832202.db2.gz CXZJEPDPRPGIRV-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001091720820 1204832208 /nfs/dbraw/zinc/83/22/08/1204832208.db2.gz CXZJEPDPRPGIRV-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735867 1204836857 /nfs/dbraw/zinc/83/68/57/1204836857.db2.gz ZCVIQXCNGNSQOP-VBQJREDUSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735867 1204836859 /nfs/dbraw/zinc/83/68/59/1204836859.db2.gz ZCVIQXCNGNSQOP-VBQJREDUSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC[NH+](CC(N)=O)CC2 ZINC001086944097 1204862081 /nfs/dbraw/zinc/86/20/81/1204862081.db2.gz PARJSBNAUAFPJU-RBSFLKMASA-N 2 2 359.474 0.712 20 0 FCADLP C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359747 1204882086 /nfs/dbraw/zinc/88/20/86/1204882086.db2.gz UKKHVCFSOHQDNG-RBSFLKMASA-N 2 2 362.478 0.803 20 0 FCADLP C[C@H](CCCC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359747 1204882087 /nfs/dbraw/zinc/88/20/87/1204882087.db2.gz UKKHVCFSOHQDNG-RBSFLKMASA-N 2 2 362.478 0.803 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2c2cnn(C)c2)n1 ZINC001086999718 1204888983 /nfs/dbraw/zinc/88/89/83/1204888983.db2.gz RUHCANUYWHTOBT-DLBZAZTESA-N 2 2 368.445 0.204 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001087003730 1204891760 /nfs/dbraw/zinc/89/17/60/1204891760.db2.gz MQHJHNUATXHJKJ-DLBZAZTESA-N 2 2 365.441 0.865 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087038781 1204917172 /nfs/dbraw/zinc/91/71/72/1204917172.db2.gz ZBFOIODKNIREGX-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)no1 ZINC001087038781 1204917177 /nfs/dbraw/zinc/91/71/77/1204917177.db2.gz ZBFOIODKNIREGX-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087049661 1204926858 /nfs/dbraw/zinc/92/68/58/1204926858.db2.gz TUQYJGUUMLNNSQ-QLFBSQMISA-N 2 2 363.462 0.074 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087062740 1204949966 /nfs/dbraw/zinc/94/99/66/1204949966.db2.gz SKTSVGVXGFXTGB-RBSFLKMASA-N 2 2 367.494 0.925 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087069024 1204956637 /nfs/dbraw/zinc/95/66/37/1204956637.db2.gz HAGFDLSHDBMSKW-GVDBMIGSSA-N 2 2 364.490 0.842 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087070696 1204958826 /nfs/dbraw/zinc/95/88/26/1204958826.db2.gz DPHDIQYWUJTWLR-GDBMZVCRSA-N 2 2 361.450 0.055 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087088221 1204977350 /nfs/dbraw/zinc/97/73/50/1204977350.db2.gz OMVMBATYZZTXRS-RHSMWYFYSA-N 2 2 360.462 0.822 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087098751 1204992407 /nfs/dbraw/zinc/99/24/07/1204992407.db2.gz LSGRLZOHWCZLAO-RHSMWYFYSA-N 2 2 360.462 0.647 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087098985 1204995001 /nfs/dbraw/zinc/99/50/01/1204995001.db2.gz YIKYYMOZCSYVJX-UKRRQHHQSA-N 2 2 362.434 0.605 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](C)c1noc(C)n1 ZINC001087101755 1205000088 /nfs/dbraw/zinc/00/00/88/1205000088.db2.gz ZVWMMVUWYHRJOC-NUEKZKHPSA-N 2 2 365.478 0.988 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001087104234 1205002083 /nfs/dbraw/zinc/00/20/83/1205002083.db2.gz WMTDYVWMGREJKZ-NVXWUHKLSA-N 2 2 360.462 0.753 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087097074 1205005775 /nfs/dbraw/zinc/00/57/75/1205005775.db2.gz UQYBFAJHNGTKJG-HZSPNIEDSA-N 2 2 363.462 0.029 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091783256 1205027269 /nfs/dbraw/zinc/02/72/69/1205027269.db2.gz XIVYCXHQMUHDCX-RKVPGOIHSA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091783256 1205027273 /nfs/dbraw/zinc/02/72/73/1205027273.db2.gz XIVYCXHQMUHDCX-RKVPGOIHSA-N 2 2 363.510 0.704 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092200579 1205196049 /nfs/dbraw/zinc/19/60/49/1205196049.db2.gz LNYFCCVDABLURO-APWZRJJASA-N 2 2 356.474 0.985 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092200579 1205196052 /nfs/dbraw/zinc/19/60/52/1205196052.db2.gz LNYFCCVDABLURO-APWZRJJASA-N 2 2 356.474 0.985 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)nn1 ZINC001092200091 1205196593 /nfs/dbraw/zinc/19/65/93/1205196593.db2.gz CZBNYNSXOOBVEC-KUHUBIRLSA-N 2 2 370.457 0.742 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)nn1 ZINC001092200091 1205196608 /nfs/dbraw/zinc/19/66/08/1205196608.db2.gz CZBNYNSXOOBVEC-KUHUBIRLSA-N 2 2 370.457 0.742 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092232509 1205204914 /nfs/dbraw/zinc/20/49/14/1205204914.db2.gz PFJDHJUQOSSUBF-APWZRJJASA-N 2 2 371.489 0.949 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092232509 1205204919 /nfs/dbraw/zinc/20/49/19/1205204919.db2.gz PFJDHJUQOSSUBF-APWZRJJASA-N 2 2 371.489 0.949 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2 ZINC001092317439 1205246547 /nfs/dbraw/zinc/24/65/47/1205246547.db2.gz UHTHPYVBPFEALM-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(=O)N1CCCCC1)C2 ZINC001092317439 1205246553 /nfs/dbraw/zinc/24/65/53/1205246553.db2.gz UHTHPYVBPFEALM-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001092297119 1205258897 /nfs/dbraw/zinc/25/88/97/1205258897.db2.gz GQRZRQYNILSZQQ-IFXJQAMLSA-N 2 2 371.489 0.990 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001092297119 1205258902 /nfs/dbraw/zinc/25/89/02/1205258902.db2.gz GQRZRQYNILSZQQ-IFXJQAMLSA-N 2 2 371.489 0.990 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)C1 ZINC001092445033 1205282291 /nfs/dbraw/zinc/28/22/91/1205282291.db2.gz MHGDXGXQCYSHND-RBSFLKMASA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]2C)C1 ZINC001092445033 1205282293 /nfs/dbraw/zinc/28/22/93/1205282293.db2.gz MHGDXGXQCYSHND-RBSFLKMASA-N 2 2 371.489 0.894 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092510818 1205299855 /nfs/dbraw/zinc/29/98/55/1205299855.db2.gz ZVYBKUMAZMEWES-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092510818 1205299863 /nfs/dbraw/zinc/29/98/63/1205299863.db2.gz ZVYBKUMAZMEWES-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092510818 1205299866 /nfs/dbraw/zinc/29/98/66/1205299866.db2.gz ZVYBKUMAZMEWES-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092510818 1205299868 /nfs/dbraw/zinc/29/98/68/1205299868.db2.gz ZVYBKUMAZMEWES-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001092614703 1205329235 /nfs/dbraw/zinc/32/92/35/1205329235.db2.gz QAKHHKLNONOBBK-KLHDSHLOSA-N 2 2 359.474 0.323 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001092614703 1205329236 /nfs/dbraw/zinc/32/92/36/1205329236.db2.gz QAKHHKLNONOBBK-KLHDSHLOSA-N 2 2 359.474 0.323 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092695910 1205341941 /nfs/dbraw/zinc/34/19/41/1205341941.db2.gz JXVKQAPYDKGXLX-KBUPBQIOSA-N 2 2 360.462 0.223 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092695910 1205341942 /nfs/dbraw/zinc/34/19/42/1205341942.db2.gz JXVKQAPYDKGXLX-KBUPBQIOSA-N 2 2 360.462 0.223 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092695910 1205341943 /nfs/dbraw/zinc/34/19/43/1205341943.db2.gz JXVKQAPYDKGXLX-KBUPBQIOSA-N 2 2 360.462 0.223 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092695910 1205341944 /nfs/dbraw/zinc/34/19/44/1205341944.db2.gz JXVKQAPYDKGXLX-KBUPBQIOSA-N 2 2 360.462 0.223 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520011 1224903134 /nfs/dbraw/zinc/90/31/34/1224903134.db2.gz JVTPNNHHABSJMO-QGTPRVQTSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520011 1224903139 /nfs/dbraw/zinc/90/31/39/1224903139.db2.gz JVTPNNHHABSJMO-QGTPRVQTSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520011 1224903145 /nfs/dbraw/zinc/90/31/45/1224903145.db2.gz JVTPNNHHABSJMO-QGTPRVQTSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220520011 1224903150 /nfs/dbraw/zinc/90/31/50/1224903150.db2.gz JVTPNNHHABSJMO-QGTPRVQTSA-N 2 2 364.490 0.956 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909298 1205939758 /nfs/dbraw/zinc/93/97/58/1205939758.db2.gz GJSIHTKPHXJVBY-ZACQAIPSSA-N 2 2 363.506 0.713 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909298 1205939759 /nfs/dbraw/zinc/93/97/59/1205939759.db2.gz GJSIHTKPHXJVBY-ZACQAIPSSA-N 2 2 363.506 0.713 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909298 1205939760 /nfs/dbraw/zinc/93/97/60/1205939760.db2.gz GJSIHTKPHXJVBY-ZACQAIPSSA-N 2 2 363.506 0.713 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909298 1205939761 /nfs/dbraw/zinc/93/97/61/1205939761.db2.gz GJSIHTKPHXJVBY-ZACQAIPSSA-N 2 2 363.506 0.713 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001092908402 1205940034 /nfs/dbraw/zinc/94/00/34/1205940034.db2.gz LZVASXNWEMSSKY-SNPRPXQTSA-N 2 2 369.473 0.931 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193725 1206053090 /nfs/dbraw/zinc/05/30/90/1206053090.db2.gz MHQQHWWWMBCYCZ-HZSPNIEDSA-N 2 2 370.448 0.679 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193725 1206053094 /nfs/dbraw/zinc/05/30/94/1206053094.db2.gz MHQQHWWWMBCYCZ-HZSPNIEDSA-N 2 2 370.448 0.679 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193725 1206053098 /nfs/dbraw/zinc/05/30/98/1206053098.db2.gz MHQQHWWWMBCYCZ-HZSPNIEDSA-N 2 2 370.448 0.679 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193725 1206053103 /nfs/dbraw/zinc/05/31/03/1206053103.db2.gz MHQQHWWWMBCYCZ-HZSPNIEDSA-N 2 2 370.448 0.679 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209094 1206056717 /nfs/dbraw/zinc/05/67/17/1206056717.db2.gz RWVFIZKYMGYPHS-ZACQAIPSSA-N 2 2 361.490 0.690 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209094 1206056721 /nfs/dbraw/zinc/05/67/21/1206056721.db2.gz RWVFIZKYMGYPHS-ZACQAIPSSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209094 1206056724 /nfs/dbraw/zinc/05/67/24/1206056724.db2.gz RWVFIZKYMGYPHS-ZACQAIPSSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)C1 ZINC001093209094 1206056727 /nfs/dbraw/zinc/05/67/27/1206056727.db2.gz RWVFIZKYMGYPHS-ZACQAIPSSA-N 2 2 361.490 0.690 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccn1C(F)F ZINC001093689986 1206100797 /nfs/dbraw/zinc/10/07/97/1206100797.db2.gz FWTKUNNDVIMKEO-MCIONIFRSA-N 2 2 371.432 0.793 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccn1C(F)F ZINC001093689986 1206100801 /nfs/dbraw/zinc/10/08/01/1206100801.db2.gz FWTKUNNDVIMKEO-MCIONIFRSA-N 2 2 371.432 0.793 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001093871001 1206138580 /nfs/dbraw/zinc/13/85/80/1206138580.db2.gz FXWZYXMMCUSVSJ-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C)nn1 ZINC001093874077 1206140180 /nfs/dbraw/zinc/14/01/80/1206140180.db2.gz WQVWCZCNFJLBPM-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP Cc1nonc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001093879025 1206141674 /nfs/dbraw/zinc/14/16/74/1206141674.db2.gz MZWCPPLJUKPJLJ-DGCLKSJQSA-N 2 2 362.434 0.926 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)n1 ZINC001093879309 1206141770 /nfs/dbraw/zinc/14/17/70/1206141770.db2.gz UCQUSMKIWJCTJI-DGCLKSJQSA-N 2 2 362.434 0.926 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C2)c[nH+]1 ZINC001093857230 1206146127 /nfs/dbraw/zinc/14/61/27/1206146127.db2.gz WNGYCYDIIWEMIG-UKRRQHHQSA-N 2 2 359.478 0.939 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093951722 1206157099 /nfs/dbraw/zinc/15/70/99/1206157099.db2.gz URXYXDBCWZZHCM-BZUAXINKSA-N 2 2 357.462 0.736 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093934567 1206161885 /nfs/dbraw/zinc/16/18/85/1206161885.db2.gz XHMSHNHFDSKPQB-BZUAXINKSA-N 2 2 371.489 0.816 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094074537 1206179816 /nfs/dbraw/zinc/17/98/16/1206179816.db2.gz HRTQIQKLMDASEX-UKRRQHHQSA-N 2 2 357.462 0.838 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)C1=O ZINC001094166472 1206198164 /nfs/dbraw/zinc/19/81/64/1206198164.db2.gz DMWMCLODBYLGPS-KFWWJZLASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)c1nncn1C ZINC001094196676 1206206145 /nfs/dbraw/zinc/20/61/45/1206206145.db2.gz QFDZYBARPDMHQY-QLFBSQMISA-N 2 2 359.478 0.927 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001094242658 1206210150 /nfs/dbraw/zinc/21/01/50/1206210150.db2.gz LYPIECOHLMCXMD-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094253886 1206211389 /nfs/dbraw/zinc/21/13/89/1206211389.db2.gz GQRABCZRVXBKIN-GDBMZVCRSA-N 2 2 357.462 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094253912 1206211400 /nfs/dbraw/zinc/21/14/00/1206211400.db2.gz KJUSZCBFELUTGR-UKRRQHHQSA-N 2 2 357.462 0.773 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110159829 1206238112 /nfs/dbraw/zinc/23/81/12/1206238112.db2.gz XYKFBKDOBIPZCK-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110159829 1206238116 /nfs/dbraw/zinc/23/81/16/1206238116.db2.gz XYKFBKDOBIPZCK-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110159829 1206238120 /nfs/dbraw/zinc/23/81/20/1206238120.db2.gz XYKFBKDOBIPZCK-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110159829 1206238123 /nfs/dbraw/zinc/23/81/23/1206238123.db2.gz XYKFBKDOBIPZCK-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CCC3)C2)C1 ZINC001094782525 1206247118 /nfs/dbraw/zinc/24/71/18/1206247118.db2.gz AMKWUFUYNRUATH-DJIMGWMZSA-N 2 2 371.485 0.725 20 0 FCADLP C[C@H](C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)n1cc[nH+]c1 ZINC001177923049 1206350106 /nfs/dbraw/zinc/35/01/06/1206350106.db2.gz UORSCZNYSAHMBR-GFCCVEGCSA-N 2 2 360.418 0.308 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC001178101557 1206352337 /nfs/dbraw/zinc/35/23/37/1206352337.db2.gz BTSGGRPIHMIXPI-OAHLLOKOSA-N 2 2 359.474 0.649 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC001178101557 1206352339 /nfs/dbraw/zinc/35/23/39/1206352339.db2.gz BTSGGRPIHMIXPI-OAHLLOKOSA-N 2 2 359.474 0.649 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178692730 1206362415 /nfs/dbraw/zinc/36/24/15/1206362415.db2.gz TXUMNLMEFPUOGX-BXWFABGCSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001178692730 1206362418 /nfs/dbraw/zinc/36/24/18/1206362418.db2.gz TXUMNLMEFPUOGX-BXWFABGCSA-N 2 2 367.490 0.726 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001178692887 1206362444 /nfs/dbraw/zinc/36/24/44/1206362444.db2.gz USMZBDCJDNYKTN-MRXNPFEDSA-N 2 2 370.457 0.705 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001178692887 1206362446 /nfs/dbraw/zinc/36/24/46/1206362446.db2.gz USMZBDCJDNYKTN-MRXNPFEDSA-N 2 2 370.457 0.705 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC001180347426 1206393271 /nfs/dbraw/zinc/39/32/71/1206393271.db2.gz RTEHPINYGNSZOA-UHFFFAOYSA-N 2 2 359.518 0.794 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001180760821 1206399421 /nfs/dbraw/zinc/39/94/21/1206399421.db2.gz YWJFMSKLMDDVGF-KBMXLJTQSA-N 2 2 372.473 0.962 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001180760821 1206399424 /nfs/dbraw/zinc/39/94/24/1206399424.db2.gz YWJFMSKLMDDVGF-KBMXLJTQSA-N 2 2 372.473 0.962 20 0 FCADLP Cc1noc(C[NH2+]C[C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001181875308 1206416575 /nfs/dbraw/zinc/41/65/75/1206416575.db2.gz YJHMRVJIKQMHAZ-HOPMXRPOSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1noc(C[NH2+]C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001181875308 1206416579 /nfs/dbraw/zinc/41/65/79/1206416579.db2.gz YJHMRVJIKQMHAZ-HOPMXRPOSA-N 2 2 365.478 0.671 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)C2(O)CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001182033650 1206419017 /nfs/dbraw/zinc/41/90/17/1206419017.db2.gz NSEZCEZMLOFWDN-GOSISDBHSA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@]3(C)CCOC3)CC2)C1=O ZINC001184382641 1206469758 /nfs/dbraw/zinc/46/97/58/1206469758.db2.gz JPNUKULJZAJBEC-GOSISDBHSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@]3(C)CCOC3)CC2)C1=O ZINC001184382641 1206469759 /nfs/dbraw/zinc/46/97/59/1206469759.db2.gz JPNUKULJZAJBEC-GOSISDBHSA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(c3cc[nH+]c(OC)c3)CC2)C1 ZINC001186106605 1206493418 /nfs/dbraw/zinc/49/34/18/1206493418.db2.gz HEBWMYYCRLHLSR-AWEZNQCLSA-N 2 2 362.430 0.234 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cc[nH+]c(OC)c3)CC2)C1 ZINC001186106605 1206493419 /nfs/dbraw/zinc/49/34/19/1206493419.db2.gz HEBWMYYCRLHLSR-AWEZNQCLSA-N 2 2 362.430 0.234 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001220618077 1224970127 /nfs/dbraw/zinc/97/01/27/1224970127.db2.gz DLJKISWQWSGHAV-MSOLQXFVSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001220618077 1224970133 /nfs/dbraw/zinc/97/01/33/1224970133.db2.gz DLJKISWQWSGHAV-MSOLQXFVSA-N 2 2 371.441 0.469 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643196 1224981659 /nfs/dbraw/zinc/98/16/59/1224981659.db2.gz UGFLLRPEXDQYDF-SJORKVTESA-N 2 2 366.462 0.064 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643196 1224981669 /nfs/dbraw/zinc/98/16/69/1224981669.db2.gz UGFLLRPEXDQYDF-SJORKVTESA-N 2 2 366.462 0.064 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001220643001 1224982381 /nfs/dbraw/zinc/98/23/81/1224982381.db2.gz PRAODKRYSXHKBL-MSOLQXFVSA-N 2 2 362.474 0.162 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)c1 ZINC001220643001 1224982397 /nfs/dbraw/zinc/98/23/97/1224982397.db2.gz PRAODKRYSXHKBL-MSOLQXFVSA-N 2 2 362.474 0.162 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NCc1ccccc1N1CC[NH2+]CC1)C[NH2+]C2 ZINC001220649219 1224987940 /nfs/dbraw/zinc/98/79/40/1224987940.db2.gz VBKLKVIMQPDLDX-OAHLLOKOSA-N 2 2 369.473 0.211 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188107517 1207422777 /nfs/dbraw/zinc/42/27/77/1207422777.db2.gz SPCRMURQYJHMIN-GVDBMIGSSA-N 2 2 368.497 0.725 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001188107517 1207422787 /nfs/dbraw/zinc/42/27/87/1207422787.db2.gz SPCRMURQYJHMIN-GVDBMIGSSA-N 2 2 368.497 0.725 20 0 FCADLP C[NH+]1CCN(Cc2ccccc2C(=O)NCC[NH+]2CC3(COC3)C2)CC1 ZINC001188366338 1207446921 /nfs/dbraw/zinc/44/69/21/1207446921.db2.gz UHTAHACXZBVIAS-UHFFFAOYSA-N 2 2 358.486 0.496 20 0 FCADLP CN(CCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405170 1207454719 /nfs/dbraw/zinc/45/47/19/1207454719.db2.gz CGELDJFOXGJFOQ-MAUKXSAKSA-N 2 2 369.473 0.769 20 0 FCADLP CN(CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21)c1cc[nH+]cc1 ZINC001188405170 1207454720 /nfs/dbraw/zinc/45/47/20/1207454720.db2.gz CGELDJFOXGJFOQ-MAUKXSAKSA-N 2 2 369.473 0.769 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455694 1207457541 /nfs/dbraw/zinc/45/75/41/1207457541.db2.gz CMBHYHISRFNBIT-DOTOQJQBSA-N 2 2 355.442 0.959 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455694 1207457545 /nfs/dbraw/zinc/45/75/45/1207457545.db2.gz CMBHYHISRFNBIT-DOTOQJQBSA-N 2 2 355.442 0.959 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188629644 1207469968 /nfs/dbraw/zinc/46/99/68/1207469968.db2.gz DQKAWHJYLABSNU-HRCADAONSA-N 2 2 361.490 0.930 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188629644 1207469970 /nfs/dbraw/zinc/46/99/70/1207469970.db2.gz DQKAWHJYLABSNU-HRCADAONSA-N 2 2 361.490 0.930 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3nc(-c4ccncn4)no3)C[C@H]21 ZINC001189055256 1207498671 /nfs/dbraw/zinc/49/86/71/1207498671.db2.gz RTKOMEFXYXRDHV-DZGCQCFKSA-N 2 2 371.445 0.511 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc(-c4ccncn4)no3)C[C@H]21 ZINC001189055256 1207498675 /nfs/dbraw/zinc/49/86/75/1207498675.db2.gz RTKOMEFXYXRDHV-DZGCQCFKSA-N 2 2 371.445 0.511 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001190486314 1207687591 /nfs/dbraw/zinc/68/75/91/1207687591.db2.gz ATYCPOGEDJPUSV-YESZJQIVSA-N 2 2 369.473 0.975 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001190486314 1207687597 /nfs/dbraw/zinc/68/75/97/1207687597.db2.gz ATYCPOGEDJPUSV-YESZJQIVSA-N 2 2 369.473 0.975 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220688976 1225014435 /nfs/dbraw/zinc/01/44/35/1225014435.db2.gz YGGHVBGKKBHZNJ-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220688976 1225014440 /nfs/dbraw/zinc/01/44/40/1225014440.db2.gz YGGHVBGKKBHZNJ-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220688976 1225014443 /nfs/dbraw/zinc/01/44/43/1225014443.db2.gz YGGHVBGKKBHZNJ-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001220688976 1225014450 /nfs/dbraw/zinc/01/44/50/1225014450.db2.gz YGGHVBGKKBHZNJ-SJORKVTESA-N 2 2 362.474 0.049 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898504 1207737763 /nfs/dbraw/zinc/73/77/63/1207737763.db2.gz CRBSGKUQQZQEIO-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898504 1207737767 /nfs/dbraw/zinc/73/77/67/1207737767.db2.gz CRBSGKUQQZQEIO-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898504 1207737771 /nfs/dbraw/zinc/73/77/71/1207737771.db2.gz CRBSGKUQQZQEIO-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898504 1207737779 /nfs/dbraw/zinc/73/77/79/1207737779.db2.gz CRBSGKUQQZQEIO-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220689486 1225017815 /nfs/dbraw/zinc/01/78/15/1225017815.db2.gz IDXKRPBXKFESRT-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220689486 1225017823 /nfs/dbraw/zinc/01/78/23/1225017823.db2.gz IDXKRPBXKFESRT-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220689486 1225017834 /nfs/dbraw/zinc/01/78/34/1225017834.db2.gz IDXKRPBXKFESRT-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220689486 1225017842 /nfs/dbraw/zinc/01/78/42/1225017842.db2.gz IDXKRPBXKFESRT-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193455720 1207876796 /nfs/dbraw/zinc/87/67/96/1207876796.db2.gz FTZJSVIMEPSGRQ-BZUAXINKSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193455720 1207876797 /nfs/dbraw/zinc/87/67/97/1207876797.db2.gz FTZJSVIMEPSGRQ-BZUAXINKSA-N 2 2 370.469 0.887 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O ZINC001193737602 1207886169 /nfs/dbraw/zinc/88/61/69/1207886169.db2.gz BYZXMBMGIQXCFB-FGTMMUONSA-N 2 2 357.458 0.175 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001193737602 1207886170 /nfs/dbraw/zinc/88/61/70/1207886170.db2.gz BYZXMBMGIQXCFB-FGTMMUONSA-N 2 2 357.458 0.175 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774559 1207888306 /nfs/dbraw/zinc/88/83/06/1207888306.db2.gz PEVCVTCVXUYHFD-RRFJBIMHSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774559 1207888307 /nfs/dbraw/zinc/88/83/07/1207888307.db2.gz PEVCVTCVXUYHFD-RRFJBIMHSA-N 2 2 368.522 0.325 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1O)C1CCC1 ZINC001193821735 1207892519 /nfs/dbraw/zinc/89/25/19/1207892519.db2.gz RFSMCCDARIRLQU-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1O)C1CCC1 ZINC001193821735 1207892521 /nfs/dbraw/zinc/89/25/21/1207892521.db2.gz RFSMCCDARIRLQU-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O)C1CCC1 ZINC001193821735 1207892523 /nfs/dbraw/zinc/89/25/23/1207892523.db2.gz RFSMCCDARIRLQU-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O)C1CCC1 ZINC001193821735 1207892524 /nfs/dbraw/zinc/89/25/24/1207892524.db2.gz RFSMCCDARIRLQU-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001193911781 1207899163 /nfs/dbraw/zinc/89/91/63/1207899163.db2.gz OVYVURRJUXGZHM-MUIFIZLQSA-N 2 2 373.461 0.137 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001193911781 1207899165 /nfs/dbraw/zinc/89/91/65/1207899165.db2.gz OVYVURRJUXGZHM-MUIFIZLQSA-N 2 2 373.461 0.137 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O)[NH+](C)C ZINC001193953158 1207900430 /nfs/dbraw/zinc/90/04/30/1207900430.db2.gz GLZZMDYQVAVBTA-NUJGCVRESA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O)[NH+](C)C ZINC001193953158 1207900441 /nfs/dbraw/zinc/90/04/41/1207900441.db2.gz GLZZMDYQVAVBTA-NUJGCVRESA-N 2 2 368.522 0.137 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001194192216 1207922336 /nfs/dbraw/zinc/92/23/36/1207922336.db2.gz URGVAEZUJMLCHY-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001194192216 1207922340 /nfs/dbraw/zinc/92/23/40/1207922340.db2.gz URGVAEZUJMLCHY-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745534 1207972331 /nfs/dbraw/zinc/97/23/31/1207972331.db2.gz KQYDGVMLVYMFDH-SJLPKXTDSA-N 2 2 364.490 0.596 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745534 1207972333 /nfs/dbraw/zinc/97/23/33/1207972333.db2.gz KQYDGVMLVYMFDH-SJLPKXTDSA-N 2 2 364.490 0.596 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001194908545 1207981859 /nfs/dbraw/zinc/98/18/59/1207981859.db2.gz DYBLNACIKDRSSN-IAGOWNOFSA-N 2 2 364.490 0.721 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001194908545 1207981862 /nfs/dbraw/zinc/98/18/62/1207981862.db2.gz DYBLNACIKDRSSN-IAGOWNOFSA-N 2 2 364.490 0.721 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCCC1 ZINC001194909349 1207982391 /nfs/dbraw/zinc/98/23/91/1207982391.db2.gz NRALXAJTZIGCNA-BRWVUGGUSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCCC1 ZINC001194909349 1207982396 /nfs/dbraw/zinc/98/23/96/1207982396.db2.gz NRALXAJTZIGCNA-BRWVUGGUSA-N 2 2 364.490 0.719 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1O)C1CCCCC1 ZINC001194997939 1207988195 /nfs/dbraw/zinc/98/81/95/1207988195.db2.gz UYMVXPGNISQTJC-IAGOWNOFSA-N 2 2 366.506 0.081 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1O)C1CCCCC1 ZINC001194997939 1207988198 /nfs/dbraw/zinc/98/81/98/1207988198.db2.gz UYMVXPGNISQTJC-IAGOWNOFSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O)C1CCCCC1 ZINC001194997939 1207988202 /nfs/dbraw/zinc/98/82/02/1207988202.db2.gz UYMVXPGNISQTJC-IAGOWNOFSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O)C1CCCCC1 ZINC001194997939 1207988206 /nfs/dbraw/zinc/98/82/06/1207988206.db2.gz UYMVXPGNISQTJC-IAGOWNOFSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194998160 1207988437 /nfs/dbraw/zinc/98/84/37/1207988437.db2.gz YQQDTKNIMHMEPA-DJIMGWMZSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194998160 1207988440 /nfs/dbraw/zinc/98/84/40/1207988440.db2.gz YQQDTKNIMHMEPA-DJIMGWMZSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194998160 1207988441 /nfs/dbraw/zinc/98/84/41/1207988441.db2.gz YQQDTKNIMHMEPA-DJIMGWMZSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194998160 1207988444 /nfs/dbraw/zinc/98/84/44/1207988444.db2.gz YQQDTKNIMHMEPA-DJIMGWMZSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006697 1207988661 /nfs/dbraw/zinc/98/86/61/1207988661.db2.gz NGEJMMFEJXGVSP-NUEKZKHPSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006697 1207988664 /nfs/dbraw/zinc/98/86/64/1207988664.db2.gz NGEJMMFEJXGVSP-NUEKZKHPSA-N 2 2 366.506 0.079 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001195127839 1208000464 /nfs/dbraw/zinc/00/04/64/1208000464.db2.gz AQPPAYJSEQGBQT-IAGOWNOFSA-N 2 2 362.405 0.653 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001195127839 1208000468 /nfs/dbraw/zinc/00/04/68/1208000468.db2.gz AQPPAYJSEQGBQT-IAGOWNOFSA-N 2 2 362.405 0.653 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640750 1208031189 /nfs/dbraw/zinc/03/11/89/1208031189.db2.gz MULHWZHXMGXFFJ-CGTJXYLNSA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640750 1208031194 /nfs/dbraw/zinc/03/11/94/1208031194.db2.gz MULHWZHXMGXFFJ-CGTJXYLNSA-N 2 2 364.490 0.732 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894179 1208043970 /nfs/dbraw/zinc/04/39/70/1208043970.db2.gz VYVACADLJQQJPH-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894179 1208043973 /nfs/dbraw/zinc/04/39/73/1208043973.db2.gz VYVACADLJQQJPH-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894179 1208043976 /nfs/dbraw/zinc/04/39/76/1208043976.db2.gz VYVACADLJQQJPH-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894179 1208043978 /nfs/dbraw/zinc/04/39/78/1208043978.db2.gz VYVACADLJQQJPH-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCCCC1 ZINC001195871258 1208045068 /nfs/dbraw/zinc/04/50/68/1208045068.db2.gz PAZLJCFXTBZQRF-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCCCC1 ZINC001195871258 1208045074 /nfs/dbraw/zinc/04/50/74/1208045074.db2.gz PAZLJCFXTBZQRF-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871953 1208045317 /nfs/dbraw/zinc/04/53/17/1208045317.db2.gz UDWBLFWKFGNLNE-USXIJHARSA-N 2 2 362.474 0.151 20 0 FCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871953 1208045318 /nfs/dbraw/zinc/04/53/18/1208045318.db2.gz UDWBLFWKFGNLNE-USXIJHARSA-N 2 2 362.474 0.151 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1O ZINC001196222147 1208067432 /nfs/dbraw/zinc/06/74/32/1208067432.db2.gz HFNYISHXONKSHH-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@H]1O ZINC001196222147 1208067435 /nfs/dbraw/zinc/06/74/35/1208067435.db2.gz HFNYISHXONKSHH-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001196222147 1208067439 /nfs/dbraw/zinc/06/74/39/1208067439.db2.gz HFNYISHXONKSHH-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001196222147 1208067441 /nfs/dbraw/zinc/06/74/41/1208067441.db2.gz HFNYISHXONKSHH-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645838 1208096730 /nfs/dbraw/zinc/09/67/30/1208096730.db2.gz TYLSOTIROUUCNR-USXIJHARSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645838 1208096732 /nfs/dbraw/zinc/09/67/32/1208096732.db2.gz TYLSOTIROUUCNR-USXIJHARSA-N 2 2 368.522 0.137 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001196932564 1208119976 /nfs/dbraw/zinc/11/99/76/1208119976.db2.gz IICVAMTZNYWBON-QZTJIDSGSA-N 2 2 362.474 0.245 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001196932564 1208119978 /nfs/dbraw/zinc/11/99/78/1208119978.db2.gz IICVAMTZNYWBON-QZTJIDSGSA-N 2 2 362.474 0.245 20 0 FCADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946651 1208123978 /nfs/dbraw/zinc/12/39/78/1208123978.db2.gz NVSCXNIUFNCRAU-QZTJIDSGSA-N 2 2 365.449 0.518 20 0 FCADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196946651 1208123980 /nfs/dbraw/zinc/12/39/80/1208123980.db2.gz NVSCXNIUFNCRAU-QZTJIDSGSA-N 2 2 365.449 0.518 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O)C(C)C ZINC001197018386 1208132275 /nfs/dbraw/zinc/13/22/75/1208132275.db2.gz SEZMBMAEZHDUGO-KURKYZTESA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O)C(C)C ZINC001197018386 1208132277 /nfs/dbraw/zinc/13/22/77/1208132277.db2.gz SEZMBMAEZHDUGO-KURKYZTESA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001197058732 1208132603 /nfs/dbraw/zinc/13/26/03/1208132603.db2.gz YMGVEIZXFBJIMY-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001197058732 1208132606 /nfs/dbraw/zinc/13/26/06/1208132606.db2.gz YMGVEIZXFBJIMY-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197255308 1208148972 /nfs/dbraw/zinc/14/89/72/1208148972.db2.gz UGFLLRPEXDQYDF-IAGOWNOFSA-N 2 2 366.462 0.064 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197255308 1208148975 /nfs/dbraw/zinc/14/89/75/1208148975.db2.gz UGFLLRPEXDQYDF-IAGOWNOFSA-N 2 2 366.462 0.064 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197411553 1208162007 /nfs/dbraw/zinc/16/20/07/1208162007.db2.gz BSCMXGOQOIYJNN-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197411553 1208162010 /nfs/dbraw/zinc/16/20/10/1208162010.db2.gz BSCMXGOQOIYJNN-IAGOWNOFSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433116 1208163828 /nfs/dbraw/zinc/16/38/28/1208163828.db2.gz FUOLJPVPCODKJP-KBRIMQKVSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433116 1208163833 /nfs/dbraw/zinc/16/38/33/1208163833.db2.gz FUOLJPVPCODKJP-KBRIMQKVSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433115 1208163999 /nfs/dbraw/zinc/16/39/99/1208163999.db2.gz FUOLJPVPCODKJP-IAOVAPTHSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197433115 1208164001 /nfs/dbraw/zinc/16/40/01/1208164001.db2.gz FUOLJPVPCODKJP-IAOVAPTHSA-N 2 2 359.430 0.203 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001197535975 1208170358 /nfs/dbraw/zinc/17/03/58/1208170358.db2.gz GNRFIYWNCBJJEG-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001197535975 1208170363 /nfs/dbraw/zinc/17/03/63/1208170363.db2.gz GNRFIYWNCBJJEG-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001197535975 1208170366 /nfs/dbraw/zinc/17/03/66/1208170366.db2.gz GNRFIYWNCBJJEG-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001197535975 1208170370 /nfs/dbraw/zinc/17/03/70/1208170370.db2.gz GNRFIYWNCBJJEG-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001197536586 1208171961 /nfs/dbraw/zinc/17/19/61/1208171961.db2.gz WQWIYCSOTOGXSP-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001197536586 1208171968 /nfs/dbraw/zinc/17/19/68/1208171968.db2.gz WQWIYCSOTOGXSP-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001197536586 1208171971 /nfs/dbraw/zinc/17/19/71/1208171971.db2.gz WQWIYCSOTOGXSP-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001197536586 1208171976 /nfs/dbraw/zinc/17/19/76/1208171976.db2.gz WQWIYCSOTOGXSP-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)cc1 ZINC001220743887 1225047974 /nfs/dbraw/zinc/04/79/74/1225047974.db2.gz UMKSBQUDWNJKSH-DYESRHJHSA-N 3 2 372.513 0.770 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001197776388 1208196149 /nfs/dbraw/zinc/19/61/49/1208196149.db2.gz VDIWMJRDCAAISQ-QZTJIDSGSA-N 2 2 364.490 0.721 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001197826025 1208201637 /nfs/dbraw/zinc/20/16/37/1208201637.db2.gz MPSPCXZHGHQTBG-IAGOWNOFSA-N 2 2 371.428 0.247 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001197826025 1208201640 /nfs/dbraw/zinc/20/16/40/1208201640.db2.gz MPSPCXZHGHQTBG-IAGOWNOFSA-N 2 2 371.428 0.247 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037961 1208216275 /nfs/dbraw/zinc/21/62/75/1208216275.db2.gz DKXFCLFKNFJWLK-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037961 1208216278 /nfs/dbraw/zinc/21/62/78/1208216278.db2.gz DKXFCLFKNFJWLK-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037961 1208216281 /nfs/dbraw/zinc/21/62/81/1208216281.db2.gz DKXFCLFKNFJWLK-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001198037961 1208216285 /nfs/dbraw/zinc/21/62/85/1208216285.db2.gz DKXFCLFKNFJWLK-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP COC(=O)c1cncc(CNC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001199360966 1208343166 /nfs/dbraw/zinc/34/31/66/1208343166.db2.gz YSMPEMCXHZFPBE-UHFFFAOYSA-N 2 2 369.425 0.945 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001201125360 1208447723 /nfs/dbraw/zinc/44/77/23/1208447723.db2.gz SVHHZUYPOBGMMC-ARFHVFGLSA-N 2 2 358.446 0.351 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001201125360 1208447725 /nfs/dbraw/zinc/44/77/25/1208447725.db2.gz SVHHZUYPOBGMMC-ARFHVFGLSA-N 2 2 358.446 0.351 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001110562293 1208451865 /nfs/dbraw/zinc/45/18/65/1208451865.db2.gz LRLMXSORVGGBLC-TWMKSMIVSA-N 2 2 358.442 0.985 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1 ZINC001220772848 1225067173 /nfs/dbraw/zinc/06/71/73/1225067173.db2.gz SKYFMVINPQYVPM-YJBOKZPZSA-N 2 2 362.405 0.720 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220799056 1225079857 /nfs/dbraw/zinc/07/98/57/1225079857.db2.gz MXRXFQBDXCDXRD-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220799056 1225079861 /nfs/dbraw/zinc/07/98/61/1225079861.db2.gz MXRXFQBDXCDXRD-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806712 1225082926 /nfs/dbraw/zinc/08/29/26/1225082926.db2.gz KPHUAXNSNHLRKW-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806712 1225082930 /nfs/dbraw/zinc/08/29/30/1225082930.db2.gz KPHUAXNSNHLRKW-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220831356 1225095637 /nfs/dbraw/zinc/09/56/37/1225095637.db2.gz WTHQGVNPBMQNQF-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220831356 1225095640 /nfs/dbraw/zinc/09/56/40/1225095640.db2.gz WTHQGVNPBMQNQF-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220831356 1225095645 /nfs/dbraw/zinc/09/56/45/1225095645.db2.gz WTHQGVNPBMQNQF-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001220831356 1225095648 /nfs/dbraw/zinc/09/56/48/1225095648.db2.gz WTHQGVNPBMQNQF-BBWFWOEESA-N 2 2 370.538 0.383 20 0 FCADLP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001489534951 1208895897 /nfs/dbraw/zinc/89/58/97/1208895897.db2.gz UEVYPHXBUWUHEZ-HUUCEWRRSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)n1cc[nH+]c1 ZINC001489592433 1209014807 /nfs/dbraw/zinc/01/48/07/1209014807.db2.gz WAXXMGPUXUIAPG-BMFZPTHFSA-N 2 2 363.462 0.006 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)n1cc[nH+]c1 ZINC001489592433 1209014811 /nfs/dbraw/zinc/01/48/11/1209014811.db2.gz WAXXMGPUXUIAPG-BMFZPTHFSA-N 2 2 363.462 0.006 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001220888500 1225124702 /nfs/dbraw/zinc/12/47/02/1225124702.db2.gz OPYAHCIPLHDBNB-FGTMMUONSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001220888500 1225124706 /nfs/dbraw/zinc/12/47/06/1225124706.db2.gz OPYAHCIPLHDBNB-FGTMMUONSA-N 2 2 364.490 0.719 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1N ZINC000850813146 1209490610 /nfs/dbraw/zinc/49/06/10/1209490610.db2.gz CVIQBPVVJYEWKK-HNNXBMFYSA-N 2 2 359.474 0.800 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1N ZINC000850813146 1209490613 /nfs/dbraw/zinc/49/06/13/1209490613.db2.gz CVIQBPVVJYEWKK-HNNXBMFYSA-N 2 2 359.474 0.800 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000851686672 1209512611 /nfs/dbraw/zinc/51/26/11/1209512611.db2.gz ROHIVJGMTKKIDL-CQSZACIVSA-N 2 2 361.490 0.562 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644372 1209538974 /nfs/dbraw/zinc/53/89/74/1209538974.db2.gz JECRWPHFOBDEQV-TWMKSMIVSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644372 1209538979 /nfs/dbraw/zinc/53/89/79/1209538979.db2.gz JECRWPHFOBDEQV-TWMKSMIVSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644372 1209538982 /nfs/dbraw/zinc/53/89/82/1209538982.db2.gz JECRWPHFOBDEQV-TWMKSMIVSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644372 1209538984 /nfs/dbraw/zinc/53/89/84/1209538984.db2.gz JECRWPHFOBDEQV-TWMKSMIVSA-N 2 2 366.462 0.088 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110644324 1209539037 /nfs/dbraw/zinc/53/90/37/1209539037.db2.gz HLMFRZZSOVUSLT-DZUCGIPZSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110644324 1209539042 /nfs/dbraw/zinc/53/90/42/1209539042.db2.gz HLMFRZZSOVUSLT-DZUCGIPZSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110644324 1209539048 /nfs/dbraw/zinc/53/90/48/1209539048.db2.gz HLMFRZZSOVUSLT-DZUCGIPZSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110644324 1209539055 /nfs/dbraw/zinc/53/90/55/1209539055.db2.gz HLMFRZZSOVUSLT-DZUCGIPZSA-N 2 2 359.474 0.980 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220927977 1225145575 /nfs/dbraw/zinc/14/55/75/1225145575.db2.gz BLSUSYYNZWUEJQ-MRXNPFEDSA-N 2 2 356.430 0.343 20 0 FCADLP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660325 1209582603 /nfs/dbraw/zinc/58/26/03/1209582603.db2.gz BMRHZWGHYVIRGP-BDXSIMOUSA-N 2 2 363.506 0.961 20 0 FCADLP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660325 1209582608 /nfs/dbraw/zinc/58/26/08/1209582608.db2.gz BMRHZWGHYVIRGP-BDXSIMOUSA-N 2 2 363.506 0.961 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001110693707 1209651436 /nfs/dbraw/zinc/65/14/36/1209651436.db2.gz PSLGPFXBAHRZLH-CBZIJGRNSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001110693707 1209651441 /nfs/dbraw/zinc/65/14/41/1209651441.db2.gz PSLGPFXBAHRZLH-CBZIJGRNSA-N 2 2 366.506 0.153 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)C2 ZINC001110740930 1209778212 /nfs/dbraw/zinc/77/82/12/1209778212.db2.gz JZRYPQNJMUCHED-DTDBQYNISA-N 2 2 362.474 0.553 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001110740930 1209778217 /nfs/dbraw/zinc/77/82/17/1209778217.db2.gz JZRYPQNJMUCHED-DTDBQYNISA-N 2 2 362.474 0.553 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)CC2 ZINC001110740930 1209778223 /nfs/dbraw/zinc/77/82/23/1209778223.db2.gz JZRYPQNJMUCHED-DTDBQYNISA-N 2 2 362.474 0.553 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220968963 1225165152 /nfs/dbraw/zinc/16/51/52/1225165152.db2.gz JHZWOTYFRAXZMN-SFHVURJKSA-N 3 2 357.458 0.883 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cn1 ZINC000861754185 1209879975 /nfs/dbraw/zinc/87/99/75/1209879975.db2.gz CVGIKQFRFRGHPI-MRXNPFEDSA-N 2 2 370.457 0.648 20 0 FCADLP C[NH+](C)CCc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870059714 1210102285 /nfs/dbraw/zinc/10/22/85/1210102285.db2.gz LNEJHYNUAMAWEG-LJQANCHMSA-N 2 2 361.486 0.964 20 0 FCADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000870892612 1210121450 /nfs/dbraw/zinc/12/14/50/1210121450.db2.gz UNLHDLBZXSDXSV-IYBDPMFKSA-N 2 2 374.489 0.479 20 0 FCADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000870892612 1210121454 /nfs/dbraw/zinc/12/14/54/1210121454.db2.gz UNLHDLBZXSDXSV-IYBDPMFKSA-N 2 2 374.489 0.479 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCc2c[nH+]cn2C)ccc1OCC[NH+](C)C ZINC000874243353 1210301756 /nfs/dbraw/zinc/30/17/56/1210301756.db2.gz CCRFKGPMVSUREL-UHFFFAOYSA-N 2 2 359.430 0.924 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000825859576 1210409352 /nfs/dbraw/zinc/40/93/52/1210409352.db2.gz SHCVUHRITACINJ-MRXNPFEDSA-N 2 2 356.430 0.536 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000825859576 1210409353 /nfs/dbraw/zinc/40/93/53/1210409353.db2.gz SHCVUHRITACINJ-MRXNPFEDSA-N 2 2 356.430 0.536 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccc(-c2ncccn2)cc1 ZINC001221082438 1225214964 /nfs/dbraw/zinc/21/49/64/1225214964.db2.gz UBRSYBIIZJJNPZ-KRWDZBQOSA-N 2 2 354.458 0.510 20 0 FCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCC(N4CC[NH+](C)CC4)CC3)C2=O)cn1 ZINC000879591931 1210491209 /nfs/dbraw/zinc/49/12/09/1210491209.db2.gz BBQLWJWQAHDXBB-GOSISDBHSA-N 2 2 360.506 0.627 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880567512 1210550854 /nfs/dbraw/zinc/55/08/54/1210550854.db2.gz JLXTWDNARYQILF-GOSISDBHSA-N 2 2 355.442 0.905 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416825 1210665506 /nfs/dbraw/zinc/66/55/06/1210665506.db2.gz GPLDPIRDVBVJCI-HZPDHXFCSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)C2)CC1 ZINC000883416825 1210665513 /nfs/dbraw/zinc/66/55/13/1210665513.db2.gz GPLDPIRDVBVJCI-HZPDHXFCSA-N 2 2 363.506 0.465 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1(C[NH3+])CCCCC1 ZINC000883652400 1210680293 /nfs/dbraw/zinc/68/02/93/1210680293.db2.gz NEORBPBMQDCPHX-INIZCTEOSA-N 2 2 366.506 0.430 20 0 FCADLP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001006337918 1210692976 /nfs/dbraw/zinc/69/29/76/1210692976.db2.gz FVVWSOSUMYJCSZ-DAXOMENPSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001006337918 1210692978 /nfs/dbraw/zinc/69/29/78/1210692978.db2.gz FVVWSOSUMYJCSZ-DAXOMENPSA-N 2 2 359.474 0.818 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c1C ZINC000884520480 1210744555 /nfs/dbraw/zinc/74/45/55/1210744555.db2.gz WPQURLLHESKCIH-GFCCVEGCSA-N 2 2 370.400 0.684 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884681831 1210779367 /nfs/dbraw/zinc/77/93/67/1210779367.db2.gz HMBHNNCTBQOCQM-DOTOQJQBSA-N 2 2 355.442 0.856 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000884703776 1210783763 /nfs/dbraw/zinc/78/37/63/1210783763.db2.gz KIERZVMYBUKFBF-DOTOQJQBSA-N 2 2 362.474 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000884703776 1210783769 /nfs/dbraw/zinc/78/37/69/1210783769.db2.gz KIERZVMYBUKFBF-DOTOQJQBSA-N 2 2 362.474 0.166 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884715754 1210785984 /nfs/dbraw/zinc/78/59/84/1210785984.db2.gz DFJYDQYSKAIZKD-DLBZAZTESA-N 2 2 355.442 0.999 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884966063 1210805677 /nfs/dbraw/zinc/80/56/77/1210805677.db2.gz BHLMCQUOXILQKL-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000885019955 1210809331 /nfs/dbraw/zinc/80/93/31/1210809331.db2.gz CAEGEKSPKFICRX-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000885019955 1210809334 /nfs/dbraw/zinc/80/93/34/1210809334.db2.gz CAEGEKSPKFICRX-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000885022641 1210809790 /nfs/dbraw/zinc/80/97/90/1210809790.db2.gz QXRRSNDPUDPVDT-FXAWDEMLSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000885022641 1210809792 /nfs/dbraw/zinc/80/97/92/1210809792.db2.gz QXRRSNDPUDPVDT-FXAWDEMLSA-N 2 2 356.470 0.891 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227540 1210815932 /nfs/dbraw/zinc/81/59/32/1210815932.db2.gz JWCRRKMUNUBETF-DOTOQJQBSA-N 2 2 355.442 0.938 20 0 FCADLP CN(C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC[NH2+]CC1 ZINC000885227798 1210816213 /nfs/dbraw/zinc/81/62/13/1210816213.db2.gz NCQCYLQNGLFWFE-KRWDZBQOSA-N 2 2 355.442 0.951 20 0 FCADLP CC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C(=O)N(C)C)[C@H](c3cn(C)c[nH+]3)C2)C1 ZINC001274192927 1210906627 /nfs/dbraw/zinc/90/66/27/1210906627.db2.gz APGVFIGMRKBLJW-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP CC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C(=O)N(C)C)[C@H](c3cn(C)c[nH+]3)C2)C1 ZINC001274192927 1210906631 /nfs/dbraw/zinc/90/66/31/1210906631.db2.gz APGVFIGMRKBLJW-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889768939 1210949352 /nfs/dbraw/zinc/94/93/52/1210949352.db2.gz QGPCWRMCHIMBGT-AQNXPRMDSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889768939 1210949355 /nfs/dbraw/zinc/94/93/55/1210949355.db2.gz QGPCWRMCHIMBGT-AQNXPRMDSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000889768939 1210949357 /nfs/dbraw/zinc/94/93/57/1210949357.db2.gz QGPCWRMCHIMBGT-AQNXPRMDSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000889768939 1210949362 /nfs/dbraw/zinc/94/93/62/1210949362.db2.gz QGPCWRMCHIMBGT-AQNXPRMDSA-N 2 2 373.497 0.945 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000890141841 1210969692 /nfs/dbraw/zinc/96/96/92/1210969692.db2.gz QKDNHZKLEXDYRL-QGZVFWFLSA-N 2 2 365.522 0.273 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000890141841 1210969695 /nfs/dbraw/zinc/96/96/95/1210969695.db2.gz QKDNHZKLEXDYRL-QGZVFWFLSA-N 2 2 365.522 0.273 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000174720962 1210985180 /nfs/dbraw/zinc/98/51/80/1210985180.db2.gz XLBHUQXFPBLWGT-UHFFFAOYSA-N 2 2 359.474 0.541 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CC(=O)Nc2ccccc21 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ZINC001275810805 1211288198 /nfs/dbraw/zinc/28/81/98/1211288198.db2.gz LCGOEQKODCUWRH-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP O=C1CO[C@]2(CC[N@H+](Cc3ccncc3O)C2)CN1CCn1cc[nH+]c1 ZINC001275810805 1211288202 /nfs/dbraw/zinc/28/82/02/1211288202.db2.gz LCGOEQKODCUWRH-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](Cc3ccncc3O)C2)OCC1=O ZINC001275812378 1211289326 /nfs/dbraw/zinc/28/93/26/1211289326.db2.gz XSVZGWPVGPAQGU-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](Cc3ccncc3O)C2)OCC1=O ZINC001275812378 1211289328 /nfs/dbraw/zinc/28/93/28/1211289328.db2.gz XSVZGWPVGPAQGU-SFHVURJKSA-N 2 2 357.414 0.524 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc[nH]4)C[C@H]32)C1 ZINC001275817530 1211290567 /nfs/dbraw/zinc/29/05/67/1211290567.db2.gz OLAWTKQCAPBFQR-YQQAZPJKSA-N 2 2 360.458 0.542 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]32)C1 ZINC001275817530 1211290573 /nfs/dbraw/zinc/29/05/73/1211290573.db2.gz OLAWTKQCAPBFQR-YQQAZPJKSA-N 2 2 360.458 0.542 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H]32)C1 ZINC001275817530 1211290575 /nfs/dbraw/zinc/29/05/75/1211290575.db2.gz OLAWTKQCAPBFQR-YQQAZPJKSA-N 2 2 360.458 0.542 20 0 FCADLP C[NH+]1CCC(C)(C[NH+]2CC3(C2)COCC(=O)N3CCn2cc[nH+]c2)CC1 ZINC001275834187 1211294050 /nfs/dbraw/zinc/29/40/50/1211294050.db2.gz ZKGFTKDTKMEFAB-UHFFFAOYSA-N 3 2 361.490 0.528 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@@H+]2CC1C(=O)N=CNC1=O ZINC001275896354 1211308271 /nfs/dbraw/zinc/30/82/71/1211308271.db2.gz XXQWWNSBWWDXCZ-QGZVFWFLSA-N 2 2 358.402 0.351 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CCC[N@H+]2CC1C(=O)N=CNC1=O ZINC001275896354 1211308274 /nfs/dbraw/zinc/30/82/74/1211308274.db2.gz XXQWWNSBWWDXCZ-QGZVFWFLSA-N 2 2 358.402 0.351 20 0 FCADLP Nc1ncc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCn3cc[nH+]c3)CC2)cn1 ZINC001276089316 1211350652 /nfs/dbraw/zinc/35/06/52/1211350652.db2.gz MGOKHZQIFCYRNR-OAHLLOKOSA-N 2 2 355.446 0.674 20 0 FCADLP O=C(C[NH+]1CCC1)N1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001276186573 1211376971 /nfs/dbraw/zinc/37/69/71/1211376971.db2.gz TWHOXINKIUXKPB-KRWDZBQOSA-N 2 2 360.502 0.627 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247534 1211392231 /nfs/dbraw/zinc/39/22/31/1211392231.db2.gz PQTSMAPXHBBIGI-FZKQIMNGSA-N 2 2 362.430 0.570 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247534 1211392235 /nfs/dbraw/zinc/39/22/35/1211392235.db2.gz PQTSMAPXHBBIGI-FZKQIMNGSA-N 2 2 362.430 0.570 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)c[nH+]1 ZINC001095606760 1211423411 /nfs/dbraw/zinc/42/34/11/1211423411.db2.gz CELYXQCRDJNBKU-PMPSAXMXSA-N 2 2 357.462 0.940 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)c[nH+]1 ZINC001095606760 1211423412 /nfs/dbraw/zinc/42/34/12/1211423412.db2.gz CELYXQCRDJNBKU-PMPSAXMXSA-N 2 2 357.462 0.940 20 0 FCADLP COCc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)CC2 ZINC000545916747 1211426526 /nfs/dbraw/zinc/42/65/26/1211426526.db2.gz NTQPGYCVVJYIHD-OAHLLOKOSA-N 2 2 365.478 0.747 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001095619764 1211428428 /nfs/dbraw/zinc/42/84/28/1211428428.db2.gz UHOOGYMIGFZLTJ-XTBFLFJDSA-N 2 2 367.409 0.703 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001095619764 1211428430 /nfs/dbraw/zinc/42/84/30/1211428430.db2.gz UHOOGYMIGFZLTJ-XTBFLFJDSA-N 2 2 367.409 0.703 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001095619525 1211428458 /nfs/dbraw/zinc/42/84/58/1211428458.db2.gz IFFSUYOPDNQZKR-KMFMINBZSA-N 2 2 368.441 0.923 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001095619525 1211428460 /nfs/dbraw/zinc/42/84/60/1211428460.db2.gz IFFSUYOPDNQZKR-KMFMINBZSA-N 2 2 368.441 0.923 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001095641248 1211432695 /nfs/dbraw/zinc/43/26/95/1211432695.db2.gz YWBHWFBGXRGPQB-FSDCSDTHSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001095641248 1211432697 /nfs/dbraw/zinc/43/26/97/1211432697.db2.gz YWBHWFBGXRGPQB-FSDCSDTHSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001095646168 1211433930 /nfs/dbraw/zinc/43/39/30/1211433930.db2.gz SPUWHMNLCDEEDK-FSDCSDTHSA-N 2 2 372.473 0.192 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001095646168 1211433931 /nfs/dbraw/zinc/43/39/31/1211433931.db2.gz SPUWHMNLCDEEDK-FSDCSDTHSA-N 2 2 372.473 0.192 20 0 FCADLP [NH3+]CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000925568429 1211502234 /nfs/dbraw/zinc/50/22/34/1211502234.db2.gz ARKXKKQCQAGYKA-MOPGFXCFSA-N 3 2 360.502 0.989 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000929155701 1211619471 /nfs/dbraw/zinc/61/94/71/1211619471.db2.gz HRKVUHHJYKIWII-HNNXBMFYSA-N 2 2 359.430 0.776 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403626 1211636457 /nfs/dbraw/zinc/63/64/57/1211636457.db2.gz RMPLDJBPSKFPJS-MSOLQXFVSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403626 1211636458 /nfs/dbraw/zinc/63/64/58/1211636458.db2.gz RMPLDJBPSKFPJS-MSOLQXFVSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000929403626 1211636460 /nfs/dbraw/zinc/63/64/60/1211636460.db2.gz RMPLDJBPSKFPJS-MSOLQXFVSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000929403626 1211636463 /nfs/dbraw/zinc/63/64/63/1211636463.db2.gz RMPLDJBPSKFPJS-MSOLQXFVSA-N 2 2 358.486 0.760 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001110976668 1211656261 /nfs/dbraw/zinc/65/62/61/1211656261.db2.gz RMLKSTOYCXJXCH-LIRZEXBASA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001110976668 1211656265 /nfs/dbraw/zinc/65/62/65/1211656265.db2.gz RMLKSTOYCXJXCH-LIRZEXBASA-N 2 2 362.518 0.964 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)N1CCC(C3=CC=C(N)C[NH2+]3)CC1)C[NH2+]C2 ZINC001221392671 1225305335 /nfs/dbraw/zinc/30/53/35/1225305335.db2.gz YXCNHXLEUSEMNA-CQSZACIVSA-N 2 2 357.462 0.053 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110992992 1211714318 /nfs/dbraw/zinc/71/43/18/1211714318.db2.gz HDBHEEMBXGGBDK-XLMAVXFVSA-N 2 2 368.522 0.447 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110992992 1211714319 /nfs/dbraw/zinc/71/43/19/1211714319.db2.gz HDBHEEMBXGGBDK-XLMAVXFVSA-N 2 2 368.522 0.447 20 0 FCADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484954 1211757475 /nfs/dbraw/zinc/75/74/75/1211757475.db2.gz RRAWYGLUXLLBMZ-CQSZACIVSA-N 2 2 360.458 0.749 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001111025113 1211800711 /nfs/dbraw/zinc/80/07/11/1211800711.db2.gz MTKUZUTWJJRUJR-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)C1 ZINC001111025113 1211800714 /nfs/dbraw/zinc/80/07/14/1211800714.db2.gz MTKUZUTWJJRUJR-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)C1 ZINC001111025113 1211800716 /nfs/dbraw/zinc/80/07/16/1211800716.db2.gz MTKUZUTWJJRUJR-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)C1 ZINC001111025113 1211800717 /nfs/dbraw/zinc/80/07/17/1211800717.db2.gz MTKUZUTWJJRUJR-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038501 1211816363 /nfs/dbraw/zinc/81/63/63/1211816363.db2.gz CKUHYVJCOZCBGQ-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038501 1211816364 /nfs/dbraw/zinc/81/63/64/1211816364.db2.gz CKUHYVJCOZCBGQ-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000932811244 1211823121 /nfs/dbraw/zinc/82/31/21/1211823121.db2.gz ICSIOAVDUAHABU-OAHLLOKOSA-N 2 2 356.430 0.978 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111171555 1211910928 /nfs/dbraw/zinc/91/09/28/1211910928.db2.gz JFNUYXPKHDRBDH-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001111171555 1211910934 /nfs/dbraw/zinc/91/09/34/1211910934.db2.gz JFNUYXPKHDRBDH-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741192 1211951611 /nfs/dbraw/zinc/95/16/11/1211951611.db2.gz WKKHYYSYGFWHLC-OYNZBZHQSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741192 1211951619 /nfs/dbraw/zinc/95/16/19/1211951619.db2.gz WKKHYYSYGFWHLC-OYNZBZHQSA-N 2 2 354.414 0.476 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000947512942 1212038678 /nfs/dbraw/zinc/03/86/78/1212038678.db2.gz AZJVYQKANCKOGD-HZPDHXFCSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948467053 1212184591 /nfs/dbraw/zinc/18/45/91/1212184591.db2.gz NQGASZADGNQGOC-HZPDHXFCSA-N 2 2 370.457 0.836 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000076318240 1212188177 /nfs/dbraw/zinc/18/81/77/1212188177.db2.gz WPAUVBHNBAEHSJ-CQSZACIVSA-N 2 2 354.414 0.867 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000076318240 1212188184 /nfs/dbraw/zinc/18/81/84/1212188184.db2.gz WPAUVBHNBAEHSJ-CQSZACIVSA-N 2 2 354.414 0.867 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nccn3C)CC2)O1 ZINC000948542102 1212197591 /nfs/dbraw/zinc/19/75/91/1212197591.db2.gz MUUMZUZSDIWMGS-BRWVUGGUSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nccn3C)CC2)O1 ZINC000948542102 1212197595 /nfs/dbraw/zinc/19/75/95/1212197595.db2.gz MUUMZUZSDIWMGS-BRWVUGGUSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3nccn3C)CC2)O1 ZINC000948542102 1212197600 /nfs/dbraw/zinc/19/76/00/1212197600.db2.gz MUUMZUZSDIWMGS-BRWVUGGUSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3nccn3C)CC2)O1 ZINC000948542102 1212197602 /nfs/dbraw/zinc/19/76/02/1212197602.db2.gz MUUMZUZSDIWMGS-BRWVUGGUSA-N 2 2 363.506 0.952 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001111277130 1212203457 /nfs/dbraw/zinc/20/34/57/1212203457.db2.gz BXSJASWMCSZEAE-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001111277130 1212203461 /nfs/dbraw/zinc/20/34/61/1212203461.db2.gz BXSJASWMCSZEAE-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C4CC4)n3C)C2)O1 ZINC000969071755 1212255581 /nfs/dbraw/zinc/25/55/81/1212255581.db2.gz DIZNFWKYLFGXIP-BPLDGKMQSA-N 2 2 362.478 0.102 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C4CC4)n3C)C2)O1 ZINC000969071755 1212255588 /nfs/dbraw/zinc/25/55/88/1212255588.db2.gz DIZNFWKYLFGXIP-BPLDGKMQSA-N 2 2 362.478 0.102 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006898015 1212357121 /nfs/dbraw/zinc/35/71/21/1212357121.db2.gz KFDZFAUNNHVCKR-FVQBIDKESA-N 2 2 371.485 0.583 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001007184051 1212418938 /nfs/dbraw/zinc/41/89/38/1212418938.db2.gz ANKNCHQSSALJIM-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001007184051 1212418945 /nfs/dbraw/zinc/41/89/45/1212418945.db2.gz ANKNCHQSSALJIM-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001007190281 1212421274 /nfs/dbraw/zinc/42/12/74/1212421274.db2.gz PXLNYZYIQCHKCI-BXWFABGCSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001007190281 1212421278 /nfs/dbraw/zinc/42/12/78/1212421278.db2.gz PXLNYZYIQCHKCI-BXWFABGCSA-N 2 2 359.474 0.783 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)CC[N@@H+]1C ZINC001007520855 1212516099 /nfs/dbraw/zinc/51/60/99/1212516099.db2.gz ZKIZPTSJDDGWJQ-OLMMMNRUSA-N 2 2 359.474 0.721 20 0 FCADLP 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[NH2+]=C(NOCc1nnnn1C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779647339 1212804759 /nfs/dbraw/zinc/80/47/59/1212804759.db2.gz CZVMSSLONCVXLY-OAHLLOKOSA-N 2 2 357.418 0.907 20 0 FCADLP [NH2+]=C(NOCc1nnnn1C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779647339 1212804760 /nfs/dbraw/zinc/80/47/60/1212804760.db2.gz CZVMSSLONCVXLY-OAHLLOKOSA-N 2 2 357.418 0.907 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616133 1225399406 /nfs/dbraw/zinc/39/94/06/1225399406.db2.gz FQLFHBHMBFCOFX-NUJGCVRESA-N 2 2 366.506 0.012 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616133 1225399411 /nfs/dbraw/zinc/39/94/11/1225399411.db2.gz FQLFHBHMBFCOFX-NUJGCVRESA-N 2 2 366.506 0.012 20 0 FCADLP NC(=O)C1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000081099850 1212886333 /nfs/dbraw/zinc/88/63/33/1212886333.db2.gz QEEAPTKUVXHBGB-UHFFFAOYSA-N 2 2 360.458 0.845 20 0 FCADLP 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0.224 20 0 FCADLP C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)n1cc[nH+]c1 ZINC001011145985 1213834723 /nfs/dbraw/zinc/83/47/23/1213834723.db2.gz KHSJNKBMTTZXLP-ARFHVFGLSA-N 2 2 363.462 0.224 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)[NH+](C)C ZINC000960711088 1213902417 /nfs/dbraw/zinc/90/24/17/1213902417.db2.gz OYMFBYLJTPINMW-HRCADAONSA-N 2 2 363.462 0.039 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](CC)CC ZINC001221811813 1225487625 /nfs/dbraw/zinc/48/76/25/1225487625.db2.gz LBRQSYCGVTZUGQ-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](CC)CC ZINC001221811813 1225487631 /nfs/dbraw/zinc/48/76/31/1225487631.db2.gz LBRQSYCGVTZUGQ-QLFBSQMISA-N 2 2 367.494 0.095 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@@H+]1C ZINC001014306753 1213936413 /nfs/dbraw/zinc/93/64/13/1213936413.db2.gz VKFTUQIJMKYFEO-ZIGSKRJUSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@H+]1C ZINC001014306753 1213936423 /nfs/dbraw/zinc/93/64/23/1213936423.db2.gz VKFTUQIJMKYFEO-ZIGSKRJUSA-N 2 2 359.474 0.932 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221818301 1225492263 /nfs/dbraw/zinc/49/22/63/1225492263.db2.gz PSMPDAZBQPHKII-CEXWTWQISA-N 2 2 370.497 0.582 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221818301 1225492267 /nfs/dbraw/zinc/49/22/67/1225492267.db2.gz PSMPDAZBQPHKII-CEXWTWQISA-N 2 2 370.497 0.582 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221818301 1225492272 /nfs/dbraw/zinc/49/22/72/1225492272.db2.gz PSMPDAZBQPHKII-CEXWTWQISA-N 2 2 370.497 0.582 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001221818301 1225492284 /nfs/dbraw/zinc/49/22/84/1225492284.db2.gz PSMPDAZBQPHKII-CEXWTWQISA-N 2 2 370.497 0.582 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)CC[N@@H+]1C ZINC001014328110 1213945118 /nfs/dbraw/zinc/94/51/18/1213945118.db2.gz WTSKHDRRCXAEQA-YKTARERQSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)CC[N@H+]1C ZINC001014328110 1213945127 /nfs/dbraw/zinc/94/51/27/1213945127.db2.gz WTSKHDRRCXAEQA-YKTARERQSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)CC[N@@H+]1C ZINC001014439914 1213954159 /nfs/dbraw/zinc/95/41/59/1213954159.db2.gz XUYXONUDENRAMU-DEXNDLTESA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)CC[N@H+]1C ZINC001014439914 1213954164 /nfs/dbraw/zinc/95/41/64/1213954164.db2.gz XUYXONUDENRAMU-DEXNDLTESA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)CC[N@@H+]1C ZINC001014512837 1213971852 /nfs/dbraw/zinc/97/18/52/1213971852.db2.gz PBWOTKMKMVSYFH-JNNRSPCRSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)CC[N@H+]1C ZINC001014512837 1213971859 /nfs/dbraw/zinc/97/18/59/1213971859.db2.gz PBWOTKMKMVSYFH-JNNRSPCRSA-N 2 2 359.474 0.932 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001016533520 1214015471 /nfs/dbraw/zinc/01/54/71/1214015471.db2.gz CNZUMWFARHLKKM-QDIHITRGSA-N 2 2 370.457 0.834 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC[N@@H+]1C ZINC001017488442 1214103479 /nfs/dbraw/zinc/10/34/79/1214103479.db2.gz HGWUJRUYWCKKLG-RHSMWYFYSA-N 2 2 359.474 0.957 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC[N@H+]1C ZINC001017488442 1214103482 /nfs/dbraw/zinc/10/34/82/1214103482.db2.gz HGWUJRUYWCKKLG-RHSMWYFYSA-N 2 2 359.474 0.957 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC[N@@H+]1C ZINC001017488442 1214103484 /nfs/dbraw/zinc/10/34/84/1214103484.db2.gz HGWUJRUYWCKKLG-RHSMWYFYSA-N 2 2 359.474 0.957 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC[N@H+]1C ZINC001017488442 1214103489 /nfs/dbraw/zinc/10/34/89/1214103489.db2.gz HGWUJRUYWCKKLG-RHSMWYFYSA-N 2 2 359.474 0.957 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001018858626 1214166013 /nfs/dbraw/zinc/16/60/13/1214166013.db2.gz MBXFGUKJBABNEU-UAGQMJEPSA-N 2 2 363.462 0.507 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018859400 1214166199 /nfs/dbraw/zinc/16/61/99/1214166199.db2.gz RVIJCAYTBVPNAE-IXDOHACOSA-N 2 2 371.485 0.577 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221870760 1225514934 /nfs/dbraw/zinc/51/49/34/1225514934.db2.gz GPILHRJXKUXXNB-BRWVUGGUSA-N 2 2 366.506 0.286 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221870760 1225514931 /nfs/dbraw/zinc/51/49/31/1225514931.db2.gz GPILHRJXKUXXNB-BRWVUGGUSA-N 2 2 366.506 0.286 20 0 FCADLP 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20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001020366975 1214345158 /nfs/dbraw/zinc/34/51/58/1214345158.db2.gz IHLVSIDLJCAODJ-BFJAYTPKSA-N 2 2 363.462 0.016 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399202 1214354085 /nfs/dbraw/zinc/35/40/85/1214354085.db2.gz LCNVXJPACVNASB-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399202 1214354088 /nfs/dbraw/zinc/35/40/88/1214354088.db2.gz LCNVXJPACVNASB-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399202 1214354093 /nfs/dbraw/zinc/35/40/93/1214354093.db2.gz LCNVXJPACVNASB-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)O1 ZINC001038399202 1214354098 /nfs/dbraw/zinc/35/40/98/1214354098.db2.gz LCNVXJPACVNASB-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](NC(=O)[C@H]4CCC[N@H+]4C)[C@@H](O)C3)ccn12 ZINC000961927350 1214359978 /nfs/dbraw/zinc/35/99/78/1214359978.db2.gz GFCQNMUBMYURFR-OAGGEKHMSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](NC(=O)[C@H]4CCC[N@@H+]4C)[C@@H](O)C3)ccn12 ZINC000961927350 1214359983 /nfs/dbraw/zinc/35/99/83/1214359983.db2.gz GFCQNMUBMYURFR-OAGGEKHMSA-N 2 2 371.441 0.038 20 0 FCADLP CC(C)c1noc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961987713 1214393324 /nfs/dbraw/zinc/39/33/24/1214393324.db2.gz COBNWPOPVBRVBD-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP CCCc1noc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000961992625 1214395841 /nfs/dbraw/zinc/39/58/41/1214395841.db2.gz XDIQRPXETJNATG-XSCHDIRWSA-N 2 2 365.478 0.726 20 0 FCADLP CCn1nncc1C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000962323581 1214534057 /nfs/dbraw/zinc/53/40/57/1214534057.db2.gz KNQXSQLKSPRMCU-BCAXMMLOSA-N 2 2 357.462 0.820 20 0 FCADLP 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Cc1nocc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834391 1216484765 /nfs/dbraw/zinc/48/47/65/1216484765.db2.gz MEFCYCVUNPKONV-ARFHVFGLSA-N 2 2 359.430 0.837 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001051834891 1216486197 /nfs/dbraw/zinc/48/61/97/1216486197.db2.gz ZRDLPXVWKGFPAI-GVDBMIGSSA-N 2 2 362.474 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001051834608 1216486264 /nfs/dbraw/zinc/48/62/64/1216486264.db2.gz SACHZHDXPIXVQR-BRWVUGGUSA-N 2 2 355.442 0.936 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001052395477 1216548412 /nfs/dbraw/zinc/54/84/12/1216548412.db2.gz SGCDFHYQEFDFOS-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001052395477 1216548421 /nfs/dbraw/zinc/54/84/21/1216548421.db2.gz SGCDFHYQEFDFOS-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001052395477 1216548426 /nfs/dbraw/zinc/54/84/26/1216548426.db2.gz SGCDFHYQEFDFOS-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC001052395477 1216548434 /nfs/dbraw/zinc/54/84/34/1216548434.db2.gz SGCDFHYQEFDFOS-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC001057965035 1216609674 /nfs/dbraw/zinc/60/96/74/1216609674.db2.gz VOTUPSHCOPIUGI-TZMCWYRMSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC001057965035 1216609681 /nfs/dbraw/zinc/60/96/81/1216609681.db2.gz VOTUPSHCOPIUGI-TZMCWYRMSA-N 2 2 357.462 0.789 20 0 FCADLP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057970802 1216615961 /nfs/dbraw/zinc/61/59/61/1216615961.db2.gz JIIPXTFKJDVVBS-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057970802 1216615967 /nfs/dbraw/zinc/61/59/67/1216615967.db2.gz JIIPXTFKJDVVBS-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276868353 1225684921 /nfs/dbraw/zinc/68/49/21/1225684921.db2.gz KRIKHXZHYVLXGH-UHFFFAOYSA-N 2 2 362.430 0.330 20 0 FCADLP CN(CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)COCC[NH+](C)C ZINC001067711670 1216694677 /nfs/dbraw/zinc/69/46/77/1216694677.db2.gz XCIMKUZJRFVBSM-HUUCEWRRSA-N 2 2 365.478 0.398 20 0 FCADLP CN(CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)COCC[NH+](C)C ZINC001067711670 1216694682 /nfs/dbraw/zinc/69/46/82/1216694682.db2.gz XCIMKUZJRFVBSM-HUUCEWRRSA-N 2 2 365.478 0.398 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905852 1216832356 /nfs/dbraw/zinc/83/23/56/1216832356.db2.gz TUJNJPLBZCNAEP-FGTMMUONSA-N 2 2 370.457 0.150 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905852 1216832357 /nfs/dbraw/zinc/83/23/57/1216832357.db2.gz TUJNJPLBZCNAEP-FGTMMUONSA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905852 1216832360 /nfs/dbraw/zinc/83/23/60/1216832360.db2.gz TUJNJPLBZCNAEP-FGTMMUONSA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905852 1216832364 /nfs/dbraw/zinc/83/23/64/1216832364.db2.gz TUJNJPLBZCNAEP-FGTMMUONSA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3cnccn3)[C@H]2C1 ZINC001223431082 1225705419 /nfs/dbraw/zinc/70/54/19/1225705419.db2.gz VCVQQIROCQKHLY-CABCVRRESA-N 2 2 360.462 0.290 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3cnccn3)[C@H]2C1 ZINC001223431082 1225705424 /nfs/dbraw/zinc/70/54/24/1225705424.db2.gz VCVQQIROCQKHLY-CABCVRRESA-N 2 2 360.462 0.290 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c(C)c(C)[nH+]1 ZINC001041283237 1217266671 /nfs/dbraw/zinc/26/66/71/1217266671.db2.gz JWJGETUTMSDDSF-HZPDHXFCSA-N 2 2 361.490 0.942 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@@H+]1C ZINC001041300928 1217273029 /nfs/dbraw/zinc/27/30/29/1217273029.db2.gz KMBVYKFBJJODAM-SCTDSRPQSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnn(C)n4)C3)C2)CC[N@H+]1C ZINC001041300928 1217273032 /nfs/dbraw/zinc/27/30/32/1217273032.db2.gz KMBVYKFBJJODAM-SCTDSRPQSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001041300928 1217273038 /nfs/dbraw/zinc/27/30/38/1217273038.db2.gz KMBVYKFBJJODAM-SCTDSRPQSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4cnn(C)n4)C3)C2)CC[NH+]1C ZINC001041300928 1217273042 /nfs/dbraw/zinc/27/30/42/1217273042.db2.gz KMBVYKFBJJODAM-SCTDSRPQSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@@H+]1C ZINC001041302826 1217274516 /nfs/dbraw/zinc/27/45/16/1217274516.db2.gz ZWDUBMREEYYGPV-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@H+]1C ZINC001041302826 1217274522 /nfs/dbraw/zinc/27/45/22/1217274522.db2.gz ZWDUBMREEYYGPV-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001041302826 1217274532 /nfs/dbraw/zinc/27/45/32/1217274532.db2.gz ZWDUBMREEYYGPV-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001041302826 1217274534 /nfs/dbraw/zinc/27/45/34/1217274534.db2.gz ZWDUBMREEYYGPV-FRQCXROJSA-N 2 2 360.506 0.970 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC001041381849 1217305641 /nfs/dbraw/zinc/30/56/41/1217305641.db2.gz RKCCLIXZJVWXCU-RKVPGOIHSA-N 2 2 355.446 0.729 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041381849 1217305649 /nfs/dbraw/zinc/30/56/49/1217305649.db2.gz RKCCLIXZJVWXCU-RKVPGOIHSA-N 2 2 355.446 0.729 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC001041381849 1217305655 /nfs/dbraw/zinc/30/56/55/1217305655.db2.gz RKCCLIXZJVWXCU-RKVPGOIHSA-N 2 2 355.446 0.729 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041381849 1217305663 /nfs/dbraw/zinc/30/56/63/1217305663.db2.gz RKCCLIXZJVWXCU-RKVPGOIHSA-N 2 2 355.446 0.729 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@]3(CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401451 1217312584 /nfs/dbraw/zinc/31/25/84/1217312584.db2.gz BCOQJOMYEXXKBZ-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@]3(CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401451 1217312586 /nfs/dbraw/zinc/31/25/86/1217312586.db2.gz BCOQJOMYEXXKBZ-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401451 1217312594 /nfs/dbraw/zinc/31/25/94/1217312594.db2.gz BCOQJOMYEXXKBZ-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401451 1217312603 /nfs/dbraw/zinc/31/26/03/1217312603.db2.gz BCOQJOMYEXXKBZ-DDUZABMNSA-N 2 2 363.462 0.522 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@H]1O ZINC001041403384 1217313811 /nfs/dbraw/zinc/31/38/11/1217313811.db2.gz JPAFIDLVSGMOTD-BRWVUGGUSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(CC)[nH+]c(C)n2)C[C@H]1O ZINC001041403384 1217313816 /nfs/dbraw/zinc/31/38/16/1217313816.db2.gz JPAFIDLVSGMOTD-BRWVUGGUSA-N 2 2 361.490 0.888 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC001041695911 1217355136 /nfs/dbraw/zinc/35/51/36/1217355136.db2.gz HDHCDHLGLYZRSC-JXXFODFXSA-N 2 2 371.485 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC001041695911 1217355142 /nfs/dbraw/zinc/35/51/42/1217355142.db2.gz HDHCDHLGLYZRSC-JXXFODFXSA-N 2 2 371.485 0.680 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@@H+]1C ZINC001042745221 1217451032 /nfs/dbraw/zinc/45/10/32/1217451032.db2.gz PTYAGDPEKKMKLW-CZUORRHYSA-N 2 2 356.474 0.951 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3ccc4c(c3)nnn4C)C2)CC[N@H+]1C ZINC001042745221 1217451034 /nfs/dbraw/zinc/45/10/34/1217451034.db2.gz PTYAGDPEKKMKLW-CZUORRHYSA-N 2 2 356.474 0.951 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001043250057 1217609781 /nfs/dbraw/zinc/60/97/81/1217609781.db2.gz CABSDJHMYYUCNL-VHDGCEQUSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001043250057 1217609785 /nfs/dbraw/zinc/60/97/85/1217609785.db2.gz CABSDJHMYYUCNL-VHDGCEQUSA-N 2 2 361.494 0.847 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043516967 1217668224 /nfs/dbraw/zinc/66/82/24/1217668224.db2.gz IMSIBOXISMJFPL-GZBFAFLISA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043516967 1217668228 /nfs/dbraw/zinc/66/82/28/1217668228.db2.gz IMSIBOXISMJFPL-GZBFAFLISA-N 2 2 357.462 0.964 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)cc[nH+]1 ZINC001043638759 1217686907 /nfs/dbraw/zinc/68/69/07/1217686907.db2.gz DUNJVPWQKGDNTG-WOKQFXJHSA-N 2 2 357.458 0.907 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)cc[nH+]1 ZINC001043638759 1217686908 /nfs/dbraw/zinc/68/69/08/1217686908.db2.gz DUNJVPWQKGDNTG-WOKQFXJHSA-N 2 2 357.458 0.907 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224192307 1225764004 /nfs/dbraw/zinc/76/40/04/1225764004.db2.gz YUPKCJVCFINYOM-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224192307 1225764007 /nfs/dbraw/zinc/76/40/07/1225764007.db2.gz YUPKCJVCFINYOM-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001224192307 1225764011 /nfs/dbraw/zinc/76/40/11/1225764011.db2.gz YUPKCJVCFINYOM-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001224192307 1225764015 /nfs/dbraw/zinc/76/40/15/1225764015.db2.gz YUPKCJVCFINYOM-IKGGRYGDSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043874931 1217764842 /nfs/dbraw/zinc/76/48/42/1217764842.db2.gz LVODHELDBIUJCY-IKGGRYGDSA-N 2 2 359.474 0.424 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043874931 1217764845 /nfs/dbraw/zinc/76/48/45/1217764845.db2.gz LVODHELDBIUJCY-IKGGRYGDSA-N 2 2 359.474 0.424 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001043914873 1217772211 /nfs/dbraw/zinc/77/22/11/1217772211.db2.gz IDDWOWFLLMJXKM-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044065647 1217800817 /nfs/dbraw/zinc/80/08/17/1217800817.db2.gz OGYVADVRLZOQHS-CABCVRRESA-N 2 2 359.474 0.670 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@@H]1O ZINC001044703681 1217872504 /nfs/dbraw/zinc/87/25/04/1217872504.db2.gz MAZYFBCJZIJJBV-OAGGEKHMSA-N 2 2 361.490 0.888 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@@H]1O ZINC001044703681 1217872505 /nfs/dbraw/zinc/87/25/05/1217872505.db2.gz MAZYFBCJZIJJBV-OAGGEKHMSA-N 2 2 361.490 0.888 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001095995094 1217874439 /nfs/dbraw/zinc/87/44/39/1217874439.db2.gz YAJDYSVOAFPYFS-VRKREXBASA-N 2 2 355.446 0.843 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001095995094 1217874440 /nfs/dbraw/zinc/87/44/40/1217874440.db2.gz YAJDYSVOAFPYFS-VRKREXBASA-N 2 2 355.446 0.843 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044795335 1217881608 /nfs/dbraw/zinc/88/16/08/1217881608.db2.gz OBFRGGQNODDQTH-CVEARBPZSA-N 2 2 359.474 0.642 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044795332 1217881618 /nfs/dbraw/zinc/88/16/18/1217881618.db2.gz NZSRBQSBHDDLLD-CVEARBPZSA-N 2 2 359.474 0.696 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001045091302 1217899453 /nfs/dbraw/zinc/89/94/53/1217899453.db2.gz TZNPXUKBGZTGHL-UKPHBRMFSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001045091302 1217899455 /nfs/dbraw/zinc/89/94/55/1217899455.db2.gz TZNPXUKBGZTGHL-UKPHBRMFSA-N 2 2 364.494 0.406 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045090911 1217899536 /nfs/dbraw/zinc/89/95/36/1217899536.db2.gz JXMRMTXVJXHNMQ-OWCLPIDISA-N 2 2 364.494 0.488 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045090911 1217899538 /nfs/dbraw/zinc/89/95/38/1217899538.db2.gz JXMRMTXVJXHNMQ-OWCLPIDISA-N 2 2 364.494 0.488 20 0 FCADLP O=C(CNc1cccc[nH+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000900102000 1217962519 /nfs/dbraw/zinc/96/25/19/1217962519.db2.gz XPGUYWCIDJQVLO-UHFFFAOYSA-N 2 2 355.446 0.612 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900192321 1217969326 /nfs/dbraw/zinc/96/93/26/1217969326.db2.gz LKIWKTXFJNSGLQ-CTNGQTDRSA-N 2 2 374.529 0.895 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900192321 1217969328 /nfs/dbraw/zinc/96/93/28/1217969328.db2.gz LKIWKTXFJNSGLQ-CTNGQTDRSA-N 2 2 374.529 0.895 20 0 FCADLP CN1CC[NH+](CCO[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001224552925 1225783828 /nfs/dbraw/zinc/78/38/28/1225783828.db2.gz UIFSNIVIGTYOJT-IRXDYDNUSA-N 2 2 368.522 0.944 20 0 FCADLP CN1CC[NH+](CCO[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001224552925 1225783833 /nfs/dbraw/zinc/78/38/33/1225783833.db2.gz UIFSNIVIGTYOJT-IRXDYDNUSA-N 2 2 368.522 0.944 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000900600685 1218011523 /nfs/dbraw/zinc/01/15/23/1218011523.db2.gz KEJSJBSFZGVOFU-IXDOHACOSA-N 2 2 367.490 0.319 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000900600685 1218011528 /nfs/dbraw/zinc/01/15/28/1218011528.db2.gz KEJSJBSFZGVOFU-IXDOHACOSA-N 2 2 367.490 0.319 20 0 FCADLP CC[C@@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900604565 1218011633 /nfs/dbraw/zinc/01/16/33/1218011633.db2.gz CYDYDAVFCGIHES-DOTOQJQBSA-N 2 2 368.522 0.090 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900810900 1218040599 /nfs/dbraw/zinc/04/05/99/1218040599.db2.gz INXZSGHQGOREKX-WFASDCNBSA-N 2 2 359.478 0.587 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900810900 1218040601 /nfs/dbraw/zinc/04/06/01/1218040601.db2.gz INXZSGHQGOREKX-WFASDCNBSA-N 2 2 359.478 0.587 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000901343485 1218117343 /nfs/dbraw/zinc/11/73/43/1218117343.db2.gz CQFROCQRJUWLFS-UYAOXDASSA-N 2 2 374.485 0.744 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000901343485 1218117347 /nfs/dbraw/zinc/11/73/47/1218117347.db2.gz CQFROCQRJUWLFS-UYAOXDASSA-N 2 2 374.485 0.744 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc2)CC1 ZINC000901343484 1218117488 /nfs/dbraw/zinc/11/74/88/1218117488.db2.gz CQFROCQRJUWLFS-QUCCMNQESA-N 2 2 374.485 0.744 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2)CC1 ZINC000901343484 1218117490 /nfs/dbraw/zinc/11/74/90/1218117490.db2.gz CQFROCQRJUWLFS-QUCCMNQESA-N 2 2 374.485 0.744 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccnc(C)n3)CC2)CC[N@@H+]1C ZINC001096307774 1218233635 /nfs/dbraw/zinc/23/36/35/1218233635.db2.gz KMOPAXFNTNGLSL-DLBZAZTESA-N 2 2 360.506 0.754 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ccnc(C)n3)CC2)CC[N@H+]1C ZINC001096307774 1218233637 /nfs/dbraw/zinc/23/36/37/1218233637.db2.gz KMOPAXFNTNGLSL-DLBZAZTESA-N 2 2 360.506 0.754 20 0 FCADLP COc1cncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001096356344 1218263007 /nfs/dbraw/zinc/26/30/07/1218263007.db2.gz QTNMBKSKWGEWOD-PMPSAXMXSA-N 2 2 357.458 0.803 20 0 FCADLP COc1cncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001096356344 1218263010 /nfs/dbraw/zinc/26/30/10/1218263010.db2.gz QTNMBKSKWGEWOD-PMPSAXMXSA-N 2 2 357.458 0.803 20 0 FCADLP 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RELLTWVYXKBTRN-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097213119 1218721800 /nfs/dbraw/zinc/72/18/00/1218721800.db2.gz AWUHBAKYSCLVPQ-HPBDAGMYSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097213119 1218721807 /nfs/dbraw/zinc/72/18/07/1218721807.db2.gz AWUHBAKYSCLVPQ-HPBDAGMYSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)C1 ZINC001097213119 1218721811 /nfs/dbraw/zinc/72/18/11/1218721811.db2.gz AWUHBAKYSCLVPQ-HPBDAGMYSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)C1 ZINC001097213119 1218721816 /nfs/dbraw/zinc/72/18/16/1218721816.db2.gz AWUHBAKYSCLVPQ-HPBDAGMYSA-N 2 2 362.518 0.964 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001097398430 1218801551 /nfs/dbraw/zinc/80/15/51/1218801551.db2.gz JGJLROHYQRNNKM-VZEFYGNVSA-N 2 2 353.426 0.866 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001097398430 1218801552 /nfs/dbraw/zinc/80/15/52/1218801552.db2.gz JGJLROHYQRNNKM-VZEFYGNVSA-N 2 2 353.426 0.866 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444884 1218806344 /nfs/dbraw/zinc/80/63/44/1218806344.db2.gz MQZTZDJZXYKKLQ-SIXLDLHFSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444884 1218806348 /nfs/dbraw/zinc/80/63/48/1218806348.db2.gz MQZTZDJZXYKKLQ-SIXLDLHFSA-N 2 2 353.426 0.948 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCC1 ZINC001097552296 1218817531 /nfs/dbraw/zinc/81/75/31/1218817531.db2.gz LVHLHELTTCCUCN-ZACQAIPSSA-N 2 2 359.474 0.926 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCC1 ZINC001097552296 1218817533 /nfs/dbraw/zinc/81/75/33/1218817533.db2.gz LVHLHELTTCCUCN-ZACQAIPSSA-N 2 2 359.474 0.926 20 0 FCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001097573524 1218822571 /nfs/dbraw/zinc/82/25/71/1218822571.db2.gz DJDIOMNGAOZRBK-DZVNLGKHSA-N 2 2 367.490 0.234 20 0 FCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001097573524 1218822572 /nfs/dbraw/zinc/82/25/72/1218822572.db2.gz DJDIOMNGAOZRBK-DZVNLGKHSA-N 2 2 367.490 0.234 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097578912 1218823867 /nfs/dbraw/zinc/82/38/67/1218823867.db2.gz XAODKWOJPKSEKF-NXHRZFHOSA-N 2 2 358.486 0.872 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097578912 1218823869 /nfs/dbraw/zinc/82/38/69/1218823869.db2.gz XAODKWOJPKSEKF-NXHRZFHOSA-N 2 2 358.486 0.872 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)C2 ZINC001097858066 1218853793 /nfs/dbraw/zinc/85/37/93/1218853793.db2.gz KMLYACIWCOZXKY-AHCXZYCDSA-N 2 2 369.473 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)C2 ZINC001097858066 1218853796 /nfs/dbraw/zinc/85/37/96/1218853796.db2.gz KMLYACIWCOZXKY-AHCXZYCDSA-N 2 2 369.473 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001052724475 1218860543 /nfs/dbraw/zinc/86/05/43/1218860543.db2.gz BLDSAQSCYONIGV-BZUAXINKSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052724475 1218860544 /nfs/dbraw/zinc/86/05/44/1218860544.db2.gz BLDSAQSCYONIGV-BZUAXINKSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1Nc1ncccn1 ZINC001052727064 1218860895 /nfs/dbraw/zinc/86/08/95/1218860895.db2.gz DIHHTCNHFYPKDY-KFWWJZLASA-N 2 2 355.446 0.711 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1Nc1ncccn1 ZINC001052727064 1218860897 /nfs/dbraw/zinc/86/08/97/1218860897.db2.gz DIHHTCNHFYPKDY-KFWWJZLASA-N 2 2 355.446 0.711 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](Nc3ncccn3)C2)CC[N@@H+]1C ZINC001052753121 1218863910 /nfs/dbraw/zinc/86/39/10/1218863910.db2.gz PMUVGUMUCRSJBC-KLHDSHLOSA-N 2 2 369.473 0.957 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](Nc3ncccn3)C2)CC[N@H+]1C ZINC001052753121 1218863911 /nfs/dbraw/zinc/86/39/11/1218863911.db2.gz PMUVGUMUCRSJBC-KLHDSHLOSA-N 2 2 369.473 0.957 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](C[C@@H]4CCCOC4)C3)C2)O1 ZINC001053304697 1218879568 /nfs/dbraw/zinc/87/95/68/1218879568.db2.gz OMHULRRQXRCRHG-IXDOHACOSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](C[C@@H]4CCCOC4)C3)C2)O1 ZINC001053304697 1218879569 /nfs/dbraw/zinc/87/95/69/1218879569.db2.gz OMHULRRQXRCRHG-IXDOHACOSA-N 2 2 367.490 0.045 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001097953287 1218947430 /nfs/dbraw/zinc/94/74/30/1218947430.db2.gz ZSJKLSDOFFRPPT-WCVJEAGWSA-N 2 2 359.474 0.959 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001097953287 1218947438 /nfs/dbraw/zinc/94/74/38/1218947438.db2.gz ZSJKLSDOFFRPPT-WCVJEAGWSA-N 2 2 359.474 0.959 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001226904183 1225857684 /nfs/dbraw/zinc/85/76/84/1225857684.db2.gz OICVXLBUGSWAAF-KZNAEPCWSA-N 3 2 368.570 0.003 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055449307 1219050602 /nfs/dbraw/zinc/05/06/02/1219050602.db2.gz VVBMUNWOGMVWJH-XNISGKROSA-N 2 2 369.473 0.931 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055449307 1219050603 /nfs/dbraw/zinc/05/06/03/1219050603.db2.gz VVBMUNWOGMVWJH-XNISGKROSA-N 2 2 369.473 0.931 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055535064 1219070763 /nfs/dbraw/zinc/07/07/63/1219070763.db2.gz PEQATXVFDUXQAU-TYILLQQXSA-N 2 2 369.473 0.790 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001055535064 1219070768 /nfs/dbraw/zinc/07/07/68/1219070768.db2.gz PEQATXVFDUXQAU-TYILLQQXSA-N 2 2 369.473 0.790 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052996 1219106033 /nfs/dbraw/zinc/10/60/33/1219106033.db2.gz GTRDUQKUSLBHGH-HOTGVXAUSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052996 1219106040 /nfs/dbraw/zinc/10/60/40/1219106040.db2.gz GTRDUQKUSLBHGH-HOTGVXAUSA-N 2 2 361.446 0.026 20 0 FCADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227458514 1225875671 /nfs/dbraw/zinc/87/56/71/1225875671.db2.gz DUKDDEAQSPYACF-VXGBXAGGSA-N 2 2 358.402 0.160 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)o1 ZINC001070158241 1219244298 /nfs/dbraw/zinc/24/42/98/1219244298.db2.gz BWJOVTIYXXHYSD-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)o1 ZINC001070158241 1219244301 /nfs/dbraw/zinc/24/43/01/1219244301.db2.gz BWJOVTIYXXHYSD-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070196473 1219287205 /nfs/dbraw/zinc/28/72/05/1219287205.db2.gz ZUUNEFISUOBPHV-VQHPVUNQSA-N 2 2 369.473 0.807 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070196567 1219287994 /nfs/dbraw/zinc/28/79/94/1219287994.db2.gz FGHJRYUMLFFVQW-ZNMIVQPWSA-N 2 2 363.441 0.999 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070212508 1219296464 /nfs/dbraw/zinc/29/64/64/1219296464.db2.gz IDCQKQPFMRIFAV-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070212508 1219296467 /nfs/dbraw/zinc/29/64/67/1219296467.db2.gz IDCQKQPFMRIFAV-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220496 1219302404 /nfs/dbraw/zinc/30/24/04/1219302404.db2.gz ILIOTDJKXHZPIB-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001070222482 1219303890 /nfs/dbraw/zinc/30/38/90/1219303890.db2.gz MJTBATQLNBEHDC-XYPHTWIQSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070222482 1219303895 /nfs/dbraw/zinc/30/38/95/1219303895.db2.gz MJTBATQLNBEHDC-XYPHTWIQSA-N 2 2 357.462 0.866 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070231873 1219308918 /nfs/dbraw/zinc/30/89/18/1219308918.db2.gz ROAIXTRBDAJGHV-CVEARBPZSA-N 2 2 370.392 0.484 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001227729500 1225883304 /nfs/dbraw/zinc/88/33/04/1225883304.db2.gz ZFELDCCFYAWDNX-ZACQAIPSSA-N 2 2 366.506 0.250 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001227729500 1225883307 /nfs/dbraw/zinc/88/33/07/1225883307.db2.gz ZFELDCCFYAWDNX-ZACQAIPSSA-N 2 2 366.506 0.250 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C1)C2 ZINC001070275214 1219342399 /nfs/dbraw/zinc/34/23/99/1219342399.db2.gz AESDLSKDHCLOFM-BMFZPTHFSA-N 2 2 361.425 0.357 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070302812 1219361399 /nfs/dbraw/zinc/36/13/99/1219361399.db2.gz GSMIOLXOXHHKLW-ZNMIVQPWSA-N 2 2 359.434 0.012 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070311234 1219369056 /nfs/dbraw/zinc/36/90/56/1219369056.db2.gz TVCGQOAAGMMGCN-CVEARBPZSA-N 2 2 371.470 0.858 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070328195 1219379136 /nfs/dbraw/zinc/37/91/36/1219379136.db2.gz QXQMYXJDBDOLSU-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953855 1225891785 /nfs/dbraw/zinc/89/17/85/1225891785.db2.gz NTKDTRKDFGUPCR-BFYDXBDKSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953855 1225891787 /nfs/dbraw/zinc/89/17/87/1225891787.db2.gz NTKDTRKDFGUPCR-BFYDXBDKSA-N 2 2 368.522 0.447 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070505797 1219443385 /nfs/dbraw/zinc/44/33/85/1219443385.db2.gz JBJNVCGRPJERPZ-UVBSCNOISA-N 2 2 368.441 0.875 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001070505733 1219443775 /nfs/dbraw/zinc/44/37/75/1219443775.db2.gz FYZLXPHYAKNETL-NUEKZKHPSA-N 2 2 361.450 0.228 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070570410 1219474080 /nfs/dbraw/zinc/47/40/80/1219474080.db2.gz NWZHIQQODLLBFC-FUHWJXTLSA-N 2 2 365.441 0.796 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCF)C2)C1 ZINC001070682083 1219522886 /nfs/dbraw/zinc/52/28/86/1219522886.db2.gz JBKNOLNLHFILNW-INMHGKMJSA-N 2 2 367.469 0.383 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCF)C2)C1 ZINC001070682083 1219522887 /nfs/dbraw/zinc/52/28/87/1219522887.db2.gz JBKNOLNLHFILNW-INMHGKMJSA-N 2 2 367.469 0.383 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001070924805 1219582306 /nfs/dbraw/zinc/58/23/06/1219582306.db2.gz SWHASGPPZYDLMY-XHSDSOJGSA-N 2 2 361.446 0.706 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001070924805 1219582311 /nfs/dbraw/zinc/58/23/11/1219582311.db2.gz SWHASGPPZYDLMY-XHSDSOJGSA-N 2 2 361.446 0.706 20 0 FCADLP CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267421 1219611675 /nfs/dbraw/zinc/61/16/75/1219611675.db2.gz IQYBGBWDKNFHDG-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267421 1219611677 /nfs/dbraw/zinc/61/16/77/1219611677.db2.gz IQYBGBWDKNFHDG-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267421 1219611681 /nfs/dbraw/zinc/61/16/81/1219611681.db2.gz IQYBGBWDKNFHDG-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071267421 1219611684 /nfs/dbraw/zinc/61/16/84/1219611684.db2.gz IQYBGBWDKNFHDG-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001072828620 1219623431 /nfs/dbraw/zinc/62/34/31/1219623431.db2.gz JBMQIDXNVPRLJL-ARFHVFGLSA-N 2 2 370.457 0.305 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001072828620 1219623434 /nfs/dbraw/zinc/62/34/34/1219623434.db2.gz JBMQIDXNVPRLJL-ARFHVFGLSA-N 2 2 370.457 0.305 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001072828620 1219623438 /nfs/dbraw/zinc/62/34/38/1219623438.db2.gz JBMQIDXNVPRLJL-ARFHVFGLSA-N 2 2 370.457 0.305 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001072828620 1219623441 /nfs/dbraw/zinc/62/34/41/1219623441.db2.gz JBMQIDXNVPRLJL-ARFHVFGLSA-N 2 2 370.457 0.305 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001072828539 1219623753 /nfs/dbraw/zinc/62/37/53/1219623753.db2.gz DPNXPEKMJHATMW-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001072828539 1219623755 /nfs/dbraw/zinc/62/37/55/1219623755.db2.gz DPNXPEKMJHATMW-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001072828539 1219623758 /nfs/dbraw/zinc/62/37/58/1219623758.db2.gz DPNXPEKMJHATMW-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001072828539 1219623760 /nfs/dbraw/zinc/62/37/60/1219623760.db2.gz DPNXPEKMJHATMW-ARFHVFGLSA-N 2 2 371.485 0.964 20 0 FCADLP Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)cn1 ZINC001072849450 1219625146 /nfs/dbraw/zinc/62/51/46/1219625146.db2.gz FHRAVPMLIHBUOK-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)cn1 ZINC001072849450 1219625149 /nfs/dbraw/zinc/62/51/49/1219625149.db2.gz FHRAVPMLIHBUOK-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)cn1 ZINC001072849450 1219625152 /nfs/dbraw/zinc/62/51/52/1219625152.db2.gz FHRAVPMLIHBUOK-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)cn1 ZINC001072849450 1219625155 /nfs/dbraw/zinc/62/51/55/1219625155.db2.gz FHRAVPMLIHBUOK-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP CCn1nncc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072851479 1219625283 /nfs/dbraw/zinc/62/52/83/1219625283.db2.gz XJIHLMPSFVDLFU-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP CCn1nncc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072851479 1219625285 /nfs/dbraw/zinc/62/52/85/1219625285.db2.gz XJIHLMPSFVDLFU-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP CCn1nncc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072851479 1219625287 /nfs/dbraw/zinc/62/52/87/1219625287.db2.gz XJIHLMPSFVDLFU-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP CCn1nncc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072851479 1219625289 /nfs/dbraw/zinc/62/52/89/1219625289.db2.gz XJIHLMPSFVDLFU-GDBMZVCRSA-N 2 2 362.478 0.051 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001073605884 1219671759 /nfs/dbraw/zinc/67/17/59/1219671759.db2.gz XXFORAXCSJWKAG-IXDOHACOSA-N 2 2 362.474 0.353 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073605884 1219671764 /nfs/dbraw/zinc/67/17/64/1219671764.db2.gz XXFORAXCSJWKAG-IXDOHACOSA-N 2 2 362.474 0.353 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001098445942 1219783296 /nfs/dbraw/zinc/78/32/96/1219783296.db2.gz YIZLJNIPDHRAMP-BDXSIMOUSA-N 2 2 361.490 0.671 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001098445942 1219783298 /nfs/dbraw/zinc/78/32/98/1219783298.db2.gz YIZLJNIPDHRAMP-BDXSIMOUSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cn(C)nc2C)C1 ZINC001098445942 1219783301 /nfs/dbraw/zinc/78/33/01/1219783301.db2.gz YIZLJNIPDHRAMP-BDXSIMOUSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cn(C)nc2C)C1 ZINC001098445942 1219783303 /nfs/dbraw/zinc/78/33/03/1219783303.db2.gz YIZLJNIPDHRAMP-BDXSIMOUSA-N 2 2 361.490 0.671 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001098841495 1219838232 /nfs/dbraw/zinc/83/82/32/1219838232.db2.gz KUOQICFHHWITRG-IEZWGBDMSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001098841495 1219838236 /nfs/dbraw/zinc/83/82/36/1219838236.db2.gz KUOQICFHHWITRG-IEZWGBDMSA-N 2 2 358.490 0.628 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@@H]1CCn2c[nH+]cc2C1 ZINC001098909085 1219858785 /nfs/dbraw/zinc/85/87/85/1219858785.db2.gz MEHQNTFLLCZMOS-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@@H]1CCn2c[nH+]cc2C1 ZINC001098909085 1219858789 /nfs/dbraw/zinc/85/87/89/1219858789.db2.gz MEHQNTFLLCZMOS-GJYPPUQNSA-N 2 2 369.473 0.708 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935375 1219868908 /nfs/dbraw/zinc/86/89/08/1219868908.db2.gz IBZONKRLZMYWFK-TYILLQQXSA-N 2 2 368.441 0.725 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935375 1219868909 /nfs/dbraw/zinc/86/89/09/1219868909.db2.gz IBZONKRLZMYWFK-TYILLQQXSA-N 2 2 368.441 0.725 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111466347 1219913730 /nfs/dbraw/zinc/91/37/30/1219913730.db2.gz RLHCXBSXXBFQOX-VQHPVUNQSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111466347 1219913733 /nfs/dbraw/zinc/91/37/33/1219913733.db2.gz RLHCXBSXXBFQOX-VQHPVUNQSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111466347 1219913737 /nfs/dbraw/zinc/91/37/37/1219913737.db2.gz RLHCXBSXXBFQOX-VQHPVUNQSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111466347 1219913740 /nfs/dbraw/zinc/91/37/40/1219913740.db2.gz RLHCXBSXXBFQOX-VQHPVUNQSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122583 1219922046 /nfs/dbraw/zinc/92/20/46/1219922046.db2.gz AUEUSBJFKPNXDR-DOXZYTNZSA-N 2 2 358.490 0.943 20 0 FCADLP C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122583 1219922049 /nfs/dbraw/zinc/92/20/49/1219922049.db2.gz AUEUSBJFKPNXDR-DOXZYTNZSA-N 2 2 358.490 0.943 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001099137708 1219925197 /nfs/dbraw/zinc/92/51/97/1219925197.db2.gz AEMSJLNEDBWBAO-QOKNQOGYSA-N 2 2 359.474 0.852 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001099137708 1219925200 /nfs/dbraw/zinc/92/52/00/1219925200.db2.gz AEMSJLNEDBWBAO-QOKNQOGYSA-N 2 2 359.474 0.852 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001099162972 1219936335 /nfs/dbraw/zinc/93/63/35/1219936335.db2.gz FKPGVSFXYHMQPU-LPHOPBHVSA-N 2 2 359.474 0.785 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001099162972 1219936339 /nfs/dbraw/zinc/93/63/39/1219936339.db2.gz FKPGVSFXYHMQPU-LPHOPBHVSA-N 2 2 359.474 0.785 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099274167 1219960341 /nfs/dbraw/zinc/96/03/41/1219960341.db2.gz AHHMAVULUVOHNA-ZWKOPEQDSA-N 2 2 369.347 0.801 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C(F)(F)F)n1 ZINC001099332941 1219969529 /nfs/dbraw/zinc/96/95/29/1219969529.db2.gz JYFHZEGHZTVSHR-ZIAGYGMSSA-N 2 2 371.407 0.995 20 0 FCADLP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001099425430 1219990457 /nfs/dbraw/zinc/99/04/57/1219990457.db2.gz IYKNUFAOMYBZDZ-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099425386 1219991079 /nfs/dbraw/zinc/99/10/79/1219991079.db2.gz GUSHDPNFNZIGTB-DOXZYTNZSA-N 2 2 359.474 0.839 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001099504821 1220016669 /nfs/dbraw/zinc/01/66/69/1220016669.db2.gz BBBYHFPFAWVQMF-QOKNQOGYSA-N 2 2 369.473 0.950 20 0 FCADLP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)nn1 ZINC001099518946 1220020914 /nfs/dbraw/zinc/02/09/14/1220020914.db2.gz UKAPNRGCVJEFIW-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1)c1c[nH+]c[nH]1 ZINC001099525519 1220023656 /nfs/dbraw/zinc/02/36/56/1220023656.db2.gz GGFSHXORLFZSBV-NJSLBKSFSA-N 2 2 359.474 0.794 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001099525447 1220023771 /nfs/dbraw/zinc/02/37/71/1220023771.db2.gz AHKLSIWTXDQCJW-KXBFYZLASA-N 2 2 371.489 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099532452 1220025663 /nfs/dbraw/zinc/02/56/63/1220025663.db2.gz WPNWUHJTWBQOIC-KSSFIOAISA-N 2 2 357.462 0.808 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001099540836 1220028265 /nfs/dbraw/zinc/02/82/65/1220028265.db2.gz FKGXXYMQPXHEIN-YJBOKZPZSA-N 2 2 357.462 0.913 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267409 1220256220 /nfs/dbraw/zinc/25/62/20/1220256220.db2.gz CUVKJWOYYYXSGT-VCBZYWHSSA-N 2 2 359.474 0.677 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101267409 1220256225 /nfs/dbraw/zinc/25/62/25/1220256225.db2.gz CUVKJWOYYYXSGT-VCBZYWHSSA-N 2 2 359.474 0.677 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001101271757 1220259858 /nfs/dbraw/zinc/25/98/58/1220259858.db2.gz VQFCLVDNPJXXGL-NNFUDEMPSA-N 2 2 362.474 0.957 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001101271757 1220259861 /nfs/dbraw/zinc/25/98/61/1220259861.db2.gz VQFCLVDNPJXXGL-NNFUDEMPSA-N 2 2 362.474 0.957 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101271757 1220259865 /nfs/dbraw/zinc/25/98/65/1220259865.db2.gz VQFCLVDNPJXXGL-NNFUDEMPSA-N 2 2 362.474 0.957 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101271757 1220259870 /nfs/dbraw/zinc/25/98/70/1220259870.db2.gz VQFCLVDNPJXXGL-NNFUDEMPSA-N 2 2 362.474 0.957 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317046 1220284369 /nfs/dbraw/zinc/28/43/69/1220284369.db2.gz DZTLAAMXSLXJFD-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317046 1220284374 /nfs/dbraw/zinc/28/43/74/1220284374.db2.gz DZTLAAMXSLXJFD-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317316 1220285670 /nfs/dbraw/zinc/28/56/70/1220285670.db2.gz UGLPADQWAYPGTK-APWZRJJASA-N 2 2 361.490 0.970 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317316 1220285672 /nfs/dbraw/zinc/28/56/72/1220285672.db2.gz UGLPADQWAYPGTK-APWZRJJASA-N 2 2 361.490 0.970 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc4n3CCOC4)C[C@@]2(C)C1 ZINC001101351212 1220297613 /nfs/dbraw/zinc/29/76/13/1220297613.db2.gz YBNDMNWTJVOWAW-KDOFPFPSSA-N 2 2 362.478 0.040 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc4n3CCOC4)C[C@@]2(C)C1 ZINC001101351212 1220297615 /nfs/dbraw/zinc/29/76/15/1220297615.db2.gz YBNDMNWTJVOWAW-KDOFPFPSSA-N 2 2 362.478 0.040 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404931 1220326187 /nfs/dbraw/zinc/32/61/87/1220326187.db2.gz YRJRWCYLDAKELV-CLCXKQKWSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404931 1220326192 /nfs/dbraw/zinc/32/61/92/1220326192.db2.gz YRJRWCYLDAKELV-CLCXKQKWSA-N 2 2 361.490 0.988 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444979 1220347790 /nfs/dbraw/zinc/34/77/90/1220347790.db2.gz UWSGWFMAAQQBCV-OHNRDTAOSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444979 1220347798 /nfs/dbraw/zinc/34/77/98/1220347798.db2.gz UWSGWFMAAQQBCV-OHNRDTAOSA-N 2 2 361.490 0.956 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478241 1220368071 /nfs/dbraw/zinc/36/80/71/1220368071.db2.gz FRDQPIGTRFHJAG-QAPCUYQASA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478241 1220368074 /nfs/dbraw/zinc/36/80/74/1220368074.db2.gz FRDQPIGTRFHJAG-QAPCUYQASA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478241 1220368077 /nfs/dbraw/zinc/36/80/77/1220368077.db2.gz FRDQPIGTRFHJAG-QAPCUYQASA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478241 1220368082 /nfs/dbraw/zinc/36/80/82/1220368082.db2.gz FRDQPIGTRFHJAG-QAPCUYQASA-N 2 2 363.510 0.704 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487243 1220371437 /nfs/dbraw/zinc/37/14/37/1220371437.db2.gz UPASPUQXMCDYBC-XLIONFOSSA-N 2 2 358.486 0.645 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487243 1220371440 /nfs/dbraw/zinc/37/14/40/1220371440.db2.gz UPASPUQXMCDYBC-XLIONFOSSA-N 2 2 358.486 0.645 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487243 1220371442 /nfs/dbraw/zinc/37/14/42/1220371442.db2.gz UPASPUQXMCDYBC-XLIONFOSSA-N 2 2 358.486 0.645 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101487243 1220371443 /nfs/dbraw/zinc/37/14/43/1220371443.db2.gz UPASPUQXMCDYBC-XLIONFOSSA-N 2 2 358.486 0.645 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926606 1220435051 /nfs/dbraw/zinc/43/50/51/1220435051.db2.gz HFPDQYXFONNDHO-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926606 1220435055 /nfs/dbraw/zinc/43/50/55/1220435055.db2.gz HFPDQYXFONNDHO-GDBMZVCRSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926643 1220435085 /nfs/dbraw/zinc/43/50/85/1220435085.db2.gz ISVKOHFOESVUOX-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926643 1220435087 /nfs/dbraw/zinc/43/50/87/1220435087.db2.gz ISVKOHFOESVUOX-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030869 1220470404 /nfs/dbraw/zinc/47/04/04/1220470404.db2.gz HVFORQKFLDQXFR-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030869 1220470407 /nfs/dbraw/zinc/47/04/07/1220470407.db2.gz HVFORQKFLDQXFR-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030869 1220470410 /nfs/dbraw/zinc/47/04/10/1220470410.db2.gz HVFORQKFLDQXFR-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030869 1220470412 /nfs/dbraw/zinc/47/04/12/1220470412.db2.gz HVFORQKFLDQXFR-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046046 1220476041 /nfs/dbraw/zinc/47/60/41/1220476041.db2.gz JJZRIVOYSDSMTG-ZIAGYGMSSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046046 1220476043 /nfs/dbraw/zinc/47/60/43/1220476043.db2.gz JJZRIVOYSDSMTG-ZIAGYGMSSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047488 1220476822 /nfs/dbraw/zinc/47/68/22/1220476822.db2.gz IXFJGALGAOLMTL-MRRJBJDNSA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047488 1220476824 /nfs/dbraw/zinc/47/68/24/1220476824.db2.gz IXFJGALGAOLMTL-MRRJBJDNSA-N 2 2 361.494 0.532 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048498 1220477359 /nfs/dbraw/zinc/47/73/59/1220477359.db2.gz FAAIBDHMOZWDSC-MRRJBJDNSA-N 2 2 363.462 0.637 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102048498 1220477362 /nfs/dbraw/zinc/47/73/62/1220477362.db2.gz FAAIBDHMOZWDSC-MRRJBJDNSA-N 2 2 363.462 0.637 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001102083812 1220490228 /nfs/dbraw/zinc/49/02/28/1220490228.db2.gz SORFISGLQFCLIQ-FVQBIDKESA-N 2 2 361.490 0.841 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001102083812 1220490231 /nfs/dbraw/zinc/49/02/31/1220490231.db2.gz SORFISGLQFCLIQ-FVQBIDKESA-N 2 2 361.490 0.841 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102085006 1220491089 /nfs/dbraw/zinc/49/10/89/1220491089.db2.gz UIUIMTKJMKQDOJ-GDBMZVCRSA-N 2 2 358.446 0.609 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102085006 1220491094 /nfs/dbraw/zinc/49/10/94/1220491094.db2.gz UIUIMTKJMKQDOJ-GDBMZVCRSA-N 2 2 358.446 0.609 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175431 1220534670 /nfs/dbraw/zinc/53/46/70/1220534670.db2.gz DGOCKMLLWMHNOV-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175431 1220534678 /nfs/dbraw/zinc/53/46/78/1220534678.db2.gz DGOCKMLLWMHNOV-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177450 1220537223 /nfs/dbraw/zinc/53/72/23/1220537223.db2.gz YWDQFOORSGURTC-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177450 1220537236 /nfs/dbraw/zinc/53/72/36/1220537236.db2.gz YWDQFOORSGURTC-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102203923 1220549626 /nfs/dbraw/zinc/54/96/26/1220549626.db2.gz MWSLHHPICGKSNC-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102203923 1220549630 /nfs/dbraw/zinc/54/96/30/1220549630.db2.gz MWSLHHPICGKSNC-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102204972 1220550048 /nfs/dbraw/zinc/55/00/48/1220550048.db2.gz FMWWUKPCERWNIF-NVXWUHKLSA-N 2 2 357.458 0.856 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102204972 1220550058 /nfs/dbraw/zinc/55/00/58/1220550058.db2.gz FMWWUKPCERWNIF-NVXWUHKLSA-N 2 2 357.458 0.856 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366951 1220596949 /nfs/dbraw/zinc/59/69/49/1220596949.db2.gz WDDFJDDDTABLQR-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366951 1220596954 /nfs/dbraw/zinc/59/69/54/1220596954.db2.gz WDDFJDDDTABLQR-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366951 1220596960 /nfs/dbraw/zinc/59/69/60/1220596960.db2.gz WDDFJDDDTABLQR-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366951 1220596966 /nfs/dbraw/zinc/59/69/66/1220596966.db2.gz WDDFJDDDTABLQR-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nnnn3C3CC3)C[C@H]2C)C1 ZINC001102370146 1220597201 /nfs/dbraw/zinc/59/72/01/1220597201.db2.gz SFJQNTBDNFVANR-RRFJBIMHSA-N 2 2 361.494 0.534 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3nnnn3C3CC3)C[C@H]2C)C1 ZINC001102370146 1220597208 /nfs/dbraw/zinc/59/72/08/1220597208.db2.gz SFJQNTBDNFVANR-RRFJBIMHSA-N 2 2 361.494 0.534 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]2C)C1 ZINC001102370146 1220597213 /nfs/dbraw/zinc/59/72/13/1220597213.db2.gz SFJQNTBDNFVANR-RRFJBIMHSA-N 2 2 361.494 0.534 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]2C)C1 ZINC001102370146 1220597219 /nfs/dbraw/zinc/59/72/19/1220597219.db2.gz SFJQNTBDNFVANR-RRFJBIMHSA-N 2 2 361.494 0.534 20 0 FCADLP Cc1nccc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001102424984 1220619741 /nfs/dbraw/zinc/61/97/41/1220619741.db2.gz GXLUKVQSEILZMB-NVXWUHKLSA-N 2 2 360.506 0.706 20 0 FCADLP Cc1nccc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001102424984 1220619744 /nfs/dbraw/zinc/61/97/44/1220619744.db2.gz GXLUKVQSEILZMB-NVXWUHKLSA-N 2 2 360.506 0.706 20 0 FCADLP Cc1ccnc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001102425142 1220620434 /nfs/dbraw/zinc/62/04/34/1220620434.db2.gz MSRSICNTAFFRCU-IAGOWNOFSA-N 2 2 360.506 0.706 20 0 FCADLP Cc1ccnc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001102425142 1220620439 /nfs/dbraw/zinc/62/04/39/1220620439.db2.gz MSRSICNTAFFRCU-IAGOWNOFSA-N 2 2 360.506 0.706 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102467262 1220636827 /nfs/dbraw/zinc/63/68/27/1220636827.db2.gz LIWSAOXCZHHFDN-HUUCEWRRSA-N 2 2 365.478 0.538 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)o1 ZINC001102467262 1220636830 /nfs/dbraw/zinc/63/68/30/1220636830.db2.gz LIWSAOXCZHHFDN-HUUCEWRRSA-N 2 2 365.478 0.538 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102480690 1220647464 /nfs/dbraw/zinc/64/74/64/1220647464.db2.gz DHJUEPAHIWZMSW-NVXWUHKLSA-N 2 2 369.469 0.953 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102480690 1220647466 /nfs/dbraw/zinc/64/74/66/1220647466.db2.gz DHJUEPAHIWZMSW-NVXWUHKLSA-N 2 2 369.469 0.953 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482357 1220648456 /nfs/dbraw/zinc/64/84/56/1220648456.db2.gz QWKBZBAHUSXXJU-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482357 1220648458 /nfs/dbraw/zinc/64/84/58/1220648458.db2.gz QWKBZBAHUSXXJU-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102524551 1220681005 /nfs/dbraw/zinc/68/10/05/1220681005.db2.gz LGRDMAQGFQLWTQ-HUUCEWRRSA-N 2 2 363.510 0.924 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102524551 1220681010 /nfs/dbraw/zinc/68/10/10/1220681010.db2.gz LGRDMAQGFQLWTQ-HUUCEWRRSA-N 2 2 363.510 0.924 20 0 FCADLP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102524551 1220681014 /nfs/dbraw/zinc/68/10/14/1220681014.db2.gz LGRDMAQGFQLWTQ-HUUCEWRRSA-N 2 2 363.510 0.924 20 0 FCADLP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102524551 1220681020 /nfs/dbraw/zinc/68/10/20/1220681020.db2.gz LGRDMAQGFQLWTQ-HUUCEWRRSA-N 2 2 363.510 0.924 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532030 1220684747 /nfs/dbraw/zinc/68/47/47/1220684747.db2.gz QPKVKBUNGBXFND-UKRRQHHQSA-N 2 2 365.478 0.097 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532030 1220684749 /nfs/dbraw/zinc/68/47/49/1220684749.db2.gz QPKVKBUNGBXFND-UKRRQHHQSA-N 2 2 365.478 0.097 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102532160 1220685254 /nfs/dbraw/zinc/68/52/54/1220685254.db2.gz XDLNYXGLRGTVKA-UKRRQHHQSA-N 2 2 364.494 0.652 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001102532160 1220685256 /nfs/dbraw/zinc/68/52/56/1220685256.db2.gz XDLNYXGLRGTVKA-UKRRQHHQSA-N 2 2 364.494 0.652 20 0 FCADLP C[C@@H](c1nncn1C)[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102539420 1220687465 /nfs/dbraw/zinc/68/74/65/1220687465.db2.gz CNBJGKMQNCIQCO-QLFBSQMISA-N 2 2 359.478 0.927 20 0 FCADLP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102539420 1220687468 /nfs/dbraw/zinc/68/74/68/1220687468.db2.gz CNBJGKMQNCIQCO-QLFBSQMISA-N 2 2 359.478 0.927 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538812 1220687818 /nfs/dbraw/zinc/68/78/18/1220687818.db2.gz WFFZVCPGCQBIDO-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538812 1220687821 /nfs/dbraw/zinc/68/78/21/1220687821.db2.gz WFFZVCPGCQBIDO-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102602925 1220725252 /nfs/dbraw/zinc/72/52/52/1220725252.db2.gz JYZWDRWDTKQGJB-KBAYOESNSA-N 2 2 364.490 0.377 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001102602925 1220725253 /nfs/dbraw/zinc/72/52/53/1220725253.db2.gz JYZWDRWDTKQGJB-KBAYOESNSA-N 2 2 364.490 0.377 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102615571 1220735428 /nfs/dbraw/zinc/73/54/28/1220735428.db2.gz GQBVYHWMKFOQMB-HUUCEWRRSA-N 2 2 371.441 0.912 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102615571 1220735438 /nfs/dbraw/zinc/73/54/38/1220735438.db2.gz GQBVYHWMKFOQMB-HUUCEWRRSA-N 2 2 371.441 0.912 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616935 1220736844 /nfs/dbraw/zinc/73/68/44/1220736844.db2.gz ZDGXRAZUJBZSOP-INMHGKMJSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616935 1220736847 /nfs/dbraw/zinc/73/68/47/1220736847.db2.gz ZDGXRAZUJBZSOP-INMHGKMJSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103137112 1220839109 /nfs/dbraw/zinc/83/91/09/1220839109.db2.gz XRBZGRNQALCQIU-QBPKDAKJSA-N 2 2 361.490 0.770 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103137112 1220839110 /nfs/dbraw/zinc/83/91/10/1220839110.db2.gz XRBZGRNQALCQIU-QBPKDAKJSA-N 2 2 361.490 0.770 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncccn2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103137112 1220839112 /nfs/dbraw/zinc/83/91/12/1220839112.db2.gz XRBZGRNQALCQIU-QBPKDAKJSA-N 2 2 361.490 0.770 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncccn2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103137112 1220839114 /nfs/dbraw/zinc/83/91/14/1220839114.db2.gz XRBZGRNQALCQIU-QBPKDAKJSA-N 2 2 361.490 0.770 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159392 1220841844 /nfs/dbraw/zinc/84/18/44/1220841844.db2.gz HIZDUZIVZVYDHJ-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159392 1220841847 /nfs/dbraw/zinc/84/18/47/1220841847.db2.gz HIZDUZIVZVYDHJ-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162575 1220842228 /nfs/dbraw/zinc/84/22/28/1220842228.db2.gz BVLNBWNICWNVGI-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162575 1220842229 /nfs/dbraw/zinc/84/22/29/1220842229.db2.gz BVLNBWNICWNVGI-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103193721 1220848965 /nfs/dbraw/zinc/84/89/65/1220848965.db2.gz GURGZACNHWIQHK-UKRRQHHQSA-N 2 2 368.445 0.746 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103193721 1220848969 /nfs/dbraw/zinc/84/89/69/1220848969.db2.gz GURGZACNHWIQHK-UKRRQHHQSA-N 2 2 368.445 0.746 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001103271437 1220858647 /nfs/dbraw/zinc/85/86/47/1220858647.db2.gz OEDGEMFQYZLHIV-OIISXLGYSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001103271437 1220858648 /nfs/dbraw/zinc/85/86/48/1220858648.db2.gz OEDGEMFQYZLHIV-OIISXLGYSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001103271437 1220858650 /nfs/dbraw/zinc/85/86/50/1220858650.db2.gz OEDGEMFQYZLHIV-OIISXLGYSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001103271437 1220858651 /nfs/dbraw/zinc/85/86/51/1220858651.db2.gz OEDGEMFQYZLHIV-OIISXLGYSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001103425989 1220880396 /nfs/dbraw/zinc/88/03/96/1220880396.db2.gz ZTHRJYOZBLDTMF-BZUAXINKSA-N 2 2 364.490 0.913 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001103425989 1220880397 /nfs/dbraw/zinc/88/03/97/1220880397.db2.gz ZTHRJYOZBLDTMF-BZUAXINKSA-N 2 2 364.490 0.913 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103452048 1220885823 /nfs/dbraw/zinc/88/58/23/1220885823.db2.gz KEVHBDVFIKJURX-MUIFIZLQSA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103452048 1220885824 /nfs/dbraw/zinc/88/58/24/1220885824.db2.gz KEVHBDVFIKJURX-MUIFIZLQSA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451922 1220885875 /nfs/dbraw/zinc/88/58/75/1220885875.db2.gz BOLAXVCMEAKBDK-KLHDSHLOSA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451922 1220885876 /nfs/dbraw/zinc/88/58/76/1220885876.db2.gz BOLAXVCMEAKBDK-KLHDSHLOSA-N 2 2 371.489 0.927 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229327584 1226002319 /nfs/dbraw/zinc/00/23/19/1226002319.db2.gz USAHYKZWKLNBBW-RBSFLKMASA-N 2 2 365.478 0.510 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570813 1220904854 /nfs/dbraw/zinc/90/48/54/1220904854.db2.gz HNVZUHVFOYYVJR-HZPDHXFCSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570813 1220904858 /nfs/dbraw/zinc/90/48/58/1220904858.db2.gz HNVZUHVFOYYVJR-HZPDHXFCSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103687989 1220940430 /nfs/dbraw/zinc/94/04/30/1220940430.db2.gz DLWVUKJYYMHZQZ-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103687989 1220940432 /nfs/dbraw/zinc/94/04/32/1220940432.db2.gz DLWVUKJYYMHZQZ-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760542 1220966826 /nfs/dbraw/zinc/96/68/26/1220966826.db2.gz RQKCRLATSDZOKO-QGPMSJSTSA-N 2 2 361.490 0.505 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760542 1220966831 /nfs/dbraw/zinc/96/68/31/1220966831.db2.gz RQKCRLATSDZOKO-QGPMSJSTSA-N 2 2 361.490 0.505 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)n1C ZINC001103778851 1220971622 /nfs/dbraw/zinc/97/16/22/1220971622.db2.gz BWHFWXFZCKBSSV-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)n1C ZINC001103778851 1220971628 /nfs/dbraw/zinc/97/16/28/1220971628.db2.gz BWHFWXFZCKBSSV-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778978 1220972093 /nfs/dbraw/zinc/97/20/93/1220972093.db2.gz GBMFWJSYGYTBOF-NVXWUHKLSA-N 2 2 357.458 0.856 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778978 1220972097 /nfs/dbraw/zinc/97/20/97/1220972097.db2.gz GBMFWJSYGYTBOF-NVXWUHKLSA-N 2 2 357.458 0.856 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104133310 1221011847 /nfs/dbraw/zinc/01/18/47/1221011847.db2.gz RSUZKUXSHVLPIR-HUUCEWRRSA-N 2 2 362.478 0.442 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731549 1221079801 /nfs/dbraw/zinc/07/98/01/1221079801.db2.gz CACDMWLLNSUWJA-NJSLBKSFSA-N 2 2 359.474 0.980 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731549 1221079808 /nfs/dbraw/zinc/07/98/08/1221079808.db2.gz CACDMWLLNSUWJA-NJSLBKSFSA-N 2 2 359.474 0.980 20 0 FCADLP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(N(C)C)no1)C2)[NH+](C)C ZINC001111789420 1221110492 /nfs/dbraw/zinc/11/04/92/1221110492.db2.gz UIKIZMJEURLBRN-IYOUNJFTSA-N 2 2 364.494 0.947 20 0 FCADLP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(N(C)C)no1)C2)[NH+](C)C ZINC001111789420 1221110495 /nfs/dbraw/zinc/11/04/95/1221110495.db2.gz UIKIZMJEURLBRN-IYOUNJFTSA-N 2 2 364.494 0.947 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001111792593 1221112064 /nfs/dbraw/zinc/11/20/64/1221112064.db2.gz FZAIOHAYAORUAV-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001111792593 1221112065 /nfs/dbraw/zinc/11/20/65/1221112065.db2.gz FZAIOHAYAORUAV-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794832 1221112765 /nfs/dbraw/zinc/11/27/65/1221112765.db2.gz LXGYVCYTAMDMED-IYOUNJFTSA-N 2 2 366.462 0.328 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001111794832 1221112766 /nfs/dbraw/zinc/11/27/66/1221112766.db2.gz LXGYVCYTAMDMED-IYOUNJFTSA-N 2 2 366.462 0.328 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816238 1221124509 /nfs/dbraw/zinc/12/45/09/1221124509.db2.gz VYBGXWFDQFJKOM-LPHOPBHVSA-N 2 2 364.490 0.986 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111816238 1221124510 /nfs/dbraw/zinc/12/45/10/1221124510.db2.gz VYBGXWFDQFJKOM-LPHOPBHVSA-N 2 2 364.490 0.986 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C2 ZINC001111938098 1221179092 /nfs/dbraw/zinc/17/90/92/1221179092.db2.gz LBOZGLAVWPIBOE-LIRRHRJNSA-N 2 2 361.490 0.848 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C2 ZINC001111938098 1221179093 /nfs/dbraw/zinc/17/90/93/1221179093.db2.gz LBOZGLAVWPIBOE-LIRRHRJNSA-N 2 2 361.490 0.848 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001111939580 1221179618 /nfs/dbraw/zinc/17/96/18/1221179618.db2.gz IIIVGZYDHUQXHI-YEWWUXTCSA-N 2 2 364.494 0.723 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001111939580 1221179622 /nfs/dbraw/zinc/17/96/22/1221179622.db2.gz IIIVGZYDHUQXHI-YEWWUXTCSA-N 2 2 364.494 0.723 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001111962575 1221187058 /nfs/dbraw/zinc/18/70/58/1221187058.db2.gz DZJFJZBELZCAHS-GMBSWORKSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001111962575 1221187060 /nfs/dbraw/zinc/18/70/60/1221187060.db2.gz DZJFJZBELZCAHS-GMBSWORKSA-N 2 2 359.474 0.602 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC001111986188 1221195097 /nfs/dbraw/zinc/19/50/97/1221195097.db2.gz IVOSVNLOSCBTFX-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC001111986188 1221195100 /nfs/dbraw/zinc/19/51/00/1221195100.db2.gz IVOSVNLOSCBTFX-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cnn(C)n3)CCCCC2)O1 ZINC001115593800 1221317471 /nfs/dbraw/zinc/31/74/71/1221317471.db2.gz PZJJVVJHFHFWFL-GDBMZVCRSA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cnn(C)n3)CCCCC2)O1 ZINC001115593800 1221317474 /nfs/dbraw/zinc/31/74/74/1221317474.db2.gz PZJJVVJHFHFWFL-GDBMZVCRSA-N 2 2 364.494 0.443 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933442 1226039892 /nfs/dbraw/zinc/03/98/92/1226039892.db2.gz OVVNFKGRPANQRM-HUUCEWRRSA-N 2 2 365.478 0.430 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)NC(C)C ZINC001229933496 1226040542 /nfs/dbraw/zinc/04/05/42/1226040542.db2.gz QJHUUSDWAHJKLP-HUUCEWRRSA-N 2 2 364.494 0.985 20 0 FCADLP CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]cn2C)C1=O ZINC001230019347 1226046030 /nfs/dbraw/zinc/04/60/30/1226046030.db2.gz VFGDHCBASYNCCF-ZACQAIPSSA-N 2 2 361.490 0.991 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001117355737 1221529828 /nfs/dbraw/zinc/52/98/28/1221529828.db2.gz DBXOSDJBUVIQHZ-JKSUJKDBSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@H]1C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC001117629578 1221594580 /nfs/dbraw/zinc/59/45/80/1221594580.db2.gz MIOPXDRLKZJIJZ-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]1C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC001117629578 1221594584 /nfs/dbraw/zinc/59/45/84/1221594584.db2.gz MIOPXDRLKZJIJZ-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001117971735 1221671492 /nfs/dbraw/zinc/67/14/92/1221671492.db2.gz DJVVJAQDAZRRGN-QGZVFWFLSA-N 2 2 355.442 0.806 20 0 FCADLP Cc1cc(C)c(CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c[nH+]1 ZINC001118017387 1221688444 /nfs/dbraw/zinc/68/84/44/1221688444.db2.gz CPSGZIGNPDLXJZ-MRXNPFEDSA-N 2 2 362.474 0.932 20 0 FCADLP Cc1cc(C)c(CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c[nH+]1 ZINC001118017387 1221688447 /nfs/dbraw/zinc/68/84/47/1221688447.db2.gz CPSGZIGNPDLXJZ-MRXNPFEDSA-N 2 2 362.474 0.932 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H]1n1cc[nH+]c1 ZINC001118268814 1221747383 /nfs/dbraw/zinc/74/73/83/1221747383.db2.gz YMQBVLJPQHNPRK-FPXQBCRKSA-N 2 2 359.474 0.880 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NCc1cccnc1 ZINC001230348122 1226076676 /nfs/dbraw/zinc/07/66/76/1226076676.db2.gz VDEWEDPLMDHHBP-IAGOWNOFSA-N 2 2 370.457 0.612 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001119356898 1221905402 /nfs/dbraw/zinc/90/54/02/1221905402.db2.gz MYVHHXZIDARWRB-HOCLYGCPSA-N 3 2 365.522 0.047 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001119356896 1221905538 /nfs/dbraw/zinc/90/55/38/1221905538.db2.gz MYVHHXZIDARWRB-GDBMZVCRSA-N 3 2 365.522 0.047 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)CN1CC[NH+]1CCOCC1 ZINC001120496264 1222094821 /nfs/dbraw/zinc/09/48/21/1222094821.db2.gz ZVUUBNANTVSKTJ-QZTJIDSGSA-N 2 2 365.449 0.252 20 0 FCADLP CN1CC[NH+](CC2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC001120805378 1222122558 /nfs/dbraw/zinc/12/25/58/1222122558.db2.gz HTYJSBFTXCHQEJ-UHFFFAOYSA-N 2 2 360.506 0.777 20 0 FCADLP O=C(CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)N1CC[NH2+]CC1 ZINC001121810741 1222214206 /nfs/dbraw/zinc/21/42/06/1222214206.db2.gz OIJGPLQTZCMMEA-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)N1CC[NH2+]CC1 ZINC001121810741 1222214211 /nfs/dbraw/zinc/21/42/11/1222214211.db2.gz OIJGPLQTZCMMEA-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](Cc3c[nH]ccc3=O)C2)OCC1=O ZINC001277528144 1226108806 /nfs/dbraw/zinc/10/88/06/1226108806.db2.gz QFPGDOUJGTXZDE-SFHVURJKSA-N 2 2 357.414 0.112 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](Cc3c[nH]ccc3=O)C2)OCC1=O ZINC001277528144 1226108809 /nfs/dbraw/zinc/10/88/09/1226108809.db2.gz QFPGDOUJGTXZDE-SFHVURJKSA-N 2 2 357.414 0.112 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC001123733024 1222353875 /nfs/dbraw/zinc/35/38/75/1222353875.db2.gz DYSMDHNWMHIPAK-MSOLQXFVSA-N 2 2 368.570 0.194 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccc(F)nc3)CC2)C1=O ZINC001137737957 1222427350 /nfs/dbraw/zinc/42/73/50/1222427350.db2.gz GPXJJVQUWIOUGU-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccc(F)nc3)CC2)C1=O ZINC001137737957 1222427353 /nfs/dbraw/zinc/42/73/53/1222427353.db2.gz GPXJJVQUWIOUGU-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231768199 1226124716 /nfs/dbraw/zinc/12/47/16/1226124716.db2.gz PSCSJMLNATUANY-GJZGRUSLSA-N 2 2 355.442 0.043 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000829500352 1222439703 /nfs/dbraw/zinc/43/97/03/1222439703.db2.gz KWTWAOIKZIBFHC-HZPDHXFCSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000829500352 1222439706 /nfs/dbraw/zinc/43/97/06/1222439706.db2.gz KWTWAOIKZIBFHC-HZPDHXFCSA-N 2 2 374.489 0.526 20 0 FCADLP C[C@@]1(CO)C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761720 1222558198 /nfs/dbraw/zinc/55/81/98/1222558198.db2.gz LIKBEOPPRDGDMZ-UXHICEINSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@@]1(CO)C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761720 1222558203 /nfs/dbraw/zinc/55/82/03/1222558203.db2.gz LIKBEOPPRDGDMZ-UXHICEINSA-N 2 2 364.486 0.963 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2cc[nH]c2)CC3)cn1 ZINC001140705966 1222609013 /nfs/dbraw/zinc/60/90/13/1222609013.db2.gz GPAVPUCKONCFTN-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2cc[nH]c2)CC3)cn1 ZINC001140705966 1222609016 /nfs/dbraw/zinc/60/90/16/1222609016.db2.gz GPAVPUCKONCFTN-UHFFFAOYSA-N 2 2 353.430 0.933 20 0 FCADLP CCOC(=O)CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001232361460 1226149075 /nfs/dbraw/zinc/14/90/75/1226149075.db2.gz XYZUAQDNNIUALX-UHFFFAOYSA-N 2 2 361.490 0.514 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4ncncn4)CC3)cn2)CC1 ZINC001232362882 1226149186 /nfs/dbraw/zinc/14/91/86/1226149186.db2.gz HEPJJLLGRAPMRQ-UHFFFAOYSA-N 2 2 354.462 0.341 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000841764184 1222828833 /nfs/dbraw/zinc/82/88/33/1222828833.db2.gz FBWGBHQCRZVAMT-AWEZNQCLSA-N 2 2 363.462 0.704 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000842034864 1222833489 /nfs/dbraw/zinc/83/34/89/1222833489.db2.gz CBLOICVQQONJFF-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000842202744 1222841013 /nfs/dbraw/zinc/84/10/13/1222841013.db2.gz LABVRTZOYNYXNH-KRWDZBQOSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000842202744 1222841016 /nfs/dbraw/zinc/84/10/16/1222841016.db2.gz LABVRTZOYNYXNH-KRWDZBQOSA-N 2 2 356.470 0.891 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843053081 1222857914 /nfs/dbraw/zinc/85/79/14/1222857914.db2.gz WPALQGPGTUPAKN-UHFFFAOYSA-N 2 2 363.462 0.800 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000843057636 1222858177 /nfs/dbraw/zinc/85/81/77/1222858177.db2.gz GFINEHYARXHVDF-HXUWFJFHSA-N 2 2 356.470 0.685 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(CC4([NH3+])CCC4)n3)cn2)CC1 ZINC000843206491 1222860513 /nfs/dbraw/zinc/86/05/13/1222860513.db2.gz NOCPXDQYJGIZAO-UHFFFAOYSA-N 2 2 356.430 0.943 20 0 FCADLP CC[N@H+](CC(=O)NCC1CC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321265 1223032909 /nfs/dbraw/zinc/03/29/09/1223032909.db2.gz JSIFBZIRGBQKFP-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP CC[N@@H+](CC(=O)NCC1CC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321265 1223032913 /nfs/dbraw/zinc/03/29/13/1223032913.db2.gz JSIFBZIRGBQKFP-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP O=c1cc(CNc2cccc(N3CCOCC3)[nH+]2)nc2n1CCC[NH2+]C2 ZINC001155490078 1223036380 /nfs/dbraw/zinc/03/63/80/1223036380.db2.gz UHQMEPHPNZJNTC-UHFFFAOYSA-N 2 2 356.430 0.580 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCN(c4ncc(O)cn4)CC3)[nH+]2)CC1 ZINC001157239746 1223070970 /nfs/dbraw/zinc/07/09/70/1223070970.db2.gz CBURADNMGXTCRG-UHFFFAOYSA-N 2 2 355.446 0.656 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001157999285 1223086462 /nfs/dbraw/zinc/08/64/62/1223086462.db2.gz PWPDGVYVUFOOMQ-YLJYHZDGSA-N 2 2 359.470 0.962 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001158000455 1223086585 /nfs/dbraw/zinc/08/65/85/1223086585.db2.gz XPCAUYKQVYTSTM-WMLDXEAASA-N 2 2 358.442 0.791 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124714 1223089580 /nfs/dbraw/zinc/08/95/80/1223089580.db2.gz SRNMMBODVUPYMT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124714 1223089583 /nfs/dbraw/zinc/08/95/83/1223089583.db2.gz SRNMMBODVUPYMT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)NC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124714 1223089584 /nfs/dbraw/zinc/08/95/84/1223089584.db2.gz SRNMMBODVUPYMT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)NC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124714 1223089589 /nfs/dbraw/zinc/08/95/89/1223089589.db2.gz SRNMMBODVUPYMT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2cc3c([nH]2)CCNC3=O)ccn1 ZINC001158204210 1223090699 /nfs/dbraw/zinc/09/06/99/1223090699.db2.gz NIYMCIYOCHSVGV-GFCCVEGCSA-N 2 2 352.398 0.410 20 0 FCADLP [NH3+]C1(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901867 1223112160 /nfs/dbraw/zinc/11/21/60/1223112160.db2.gz ILKAUARLVCTBQG-CXAGYDPISA-N 3 2 363.437 0.156 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159036429 1223116294 /nfs/dbraw/zinc/11/62/94/1223116294.db2.gz FHBXNHUFMWONJQ-UHFFFAOYSA-N 2 2 362.474 0.378 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159036429 1223116296 /nfs/dbraw/zinc/11/62/96/1223116296.db2.gz FHBXNHUFMWONJQ-UHFFFAOYSA-N 2 2 362.474 0.378 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001159074406 1223116804 /nfs/dbraw/zinc/11/68/04/1223116804.db2.gz AVGUNHPLEUVFTQ-NNFUDEMPSA-N 2 2 367.490 0.629 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001159075189 1223116813 /nfs/dbraw/zinc/11/68/13/1223116813.db2.gz DSQFXLKDZXVKQI-JTOWHCCKSA-N 2 2 371.453 0.331 20 0 FCADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159282760 1223122563 /nfs/dbraw/zinc/12/25/63/1223122563.db2.gz IBYBCKZNXPFATO-KMFMINBZSA-N 2 2 357.414 0.038 20 0 FCADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159284129 1223123068 /nfs/dbraw/zinc/12/30/68/1223123068.db2.gz WDNHUNHNBFMMRI-COXVUDFISA-N 2 2 357.414 0.038 20 0 FCADLP [NH3+]CCC[NH2+]CC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159284680 1223123160 /nfs/dbraw/zinc/12/31/60/1223123160.db2.gz ZKLMWFBIROZBPP-HNNXBMFYSA-N 3 2 358.446 0.254 20 0 FCADLP Cc1cccc(N2CCC[C@@]3(CN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])CCO3)C2)c1 ZINC001159299119 1223123570 /nfs/dbraw/zinc/12/35/70/1223123570.db2.gz QHANMCZNNZNWEZ-BJLQDIEVSA-N 2 2 358.486 0.740 20 0 FCADLP Cc1cccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159341019 1223125265 /nfs/dbraw/zinc/12/52/65/1223125265.db2.gz ZJXGIDGTSOBPGU-PKOBYXMFSA-N 3 2 358.486 0.930 20 0 FCADLP Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001159376150 1223125566 /nfs/dbraw/zinc/12/55/66/1223125566.db2.gz VIAWTNBUENQFSU-HYVNUMGLSA-N 2 2 370.457 0.147 20 0 FCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001159636095 1223131790 /nfs/dbraw/zinc/13/17/90/1223131790.db2.gz RYLRWIUQWQTZPS-GOEBONIOSA-N 2 2 370.457 0.609 20 0 FCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001159679084 1223133473 /nfs/dbraw/zinc/13/34/73/1223133473.db2.gz BCKZBGFJMPMGTJ-DOTOQJQBSA-N 2 2 354.458 0.795 20 0 FCADLP O=C(N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159699638 1223134561 /nfs/dbraw/zinc/13/45/61/1223134561.db2.gz XKKKMWKILFXNMW-XDCWJTEKSA-N 2 2 372.469 0.418 20 0 FCADLP CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001159846153 1223137514 /nfs/dbraw/zinc/13/75/14/1223137514.db2.gz ULGRSIZJBSLKMT-HNNXBMFYSA-N 2 2 366.506 0.237 20 0 FCADLP CCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159938155 1223139875 /nfs/dbraw/zinc/13/98/75/1223139875.db2.gz ASOZXAJKEYKKBM-BZSNNMDCSA-N 2 2 370.497 0.930 20 0 FCADLP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160054038 1223143606 /nfs/dbraw/zinc/14/36/06/1223143606.db2.gz WNFWVCLKQLWBPF-WIYYLYMNSA-N 3 2 369.513 0.848 20 0 FCADLP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160054038 1223143607 /nfs/dbraw/zinc/14/36/07/1223143607.db2.gz WNFWVCLKQLWBPF-WIYYLYMNSA-N 3 2 369.513 0.848 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086037 1223144447 /nfs/dbraw/zinc/14/44/47/1223144447.db2.gz QNHBGFPNWAYACK-TXPKVOOTSA-N 2 2 368.441 0.230 20 0 FCADLP Cc1ccc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172487 1223147319 /nfs/dbraw/zinc/14/73/19/1223147319.db2.gz XXFPPVBUJVTBMB-IRXDYDNUSA-N 3 2 366.469 0.685 20 0 FCADLP CC(=O)N1CCC[C@]2(C1)CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)CCO2 ZINC001160192308 1223148853 /nfs/dbraw/zinc/14/88/53/1223148853.db2.gz UUXVLCRSLDCIEU-MJGOQNOKSA-N 2 2 360.458 0.499 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@@H](COCc3cccnc3)C2)C1 ZINC001160237385 1223151451 /nfs/dbraw/zinc/15/14/51/1223151451.db2.gz XJNSKBSDDMBVOF-ZACQAIPSSA-N 2 2 370.457 0.143 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001160322405 1223154297 /nfs/dbraw/zinc/15/42/97/1223154297.db2.gz BSICTHZSAUVNGN-VCBZYWHSSA-N 2 2 374.489 0.174 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)C1 ZINC001160312197 1223154484 /nfs/dbraw/zinc/15/44/84/1223154484.db2.gz RQRYONYSBBKBFZ-SPKLELGKSA-N 2 2 372.425 0.060 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)on1 ZINC001160336657 1223155645 /nfs/dbraw/zinc/15/56/45/1223155645.db2.gz HZNRZYLHRGWPIF-YNEHKIRRSA-N 2 2 360.418 0.933 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336744 1223155664 /nfs/dbraw/zinc/15/56/64/1223155664.db2.gz LAOHJPPJFIFILY-CHWSQXEVSA-N 2 2 364.450 0.235 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336744 1223155666 /nfs/dbraw/zinc/15/56/66/1223155666.db2.gz LAOHJPPJFIFILY-CHWSQXEVSA-N 2 2 364.450 0.235 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccc(O)cc1 ZINC001160337271 1223155841 /nfs/dbraw/zinc/15/58/41/1223155841.db2.gz YLELHWQTRTXWBV-HUUCEWRRSA-N 2 2 357.414 0.953 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccc(O)cc1 ZINC001160337271 1223155847 /nfs/dbraw/zinc/15/58/47/1223155847.db2.gz YLELHWQTRTXWBV-HUUCEWRRSA-N 2 2 357.414 0.953 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NCCc1ccccc1 ZINC001160332713 1223156019 /nfs/dbraw/zinc/15/60/19/1223156019.db2.gz PQEOSFRCQQOYHY-IAGOWNOFSA-N 2 2 369.469 0.968 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NCCc1ccccc1 ZINC001160332713 1223156023 /nfs/dbraw/zinc/15/60/23/1223156023.db2.gz PQEOSFRCQQOYHY-IAGOWNOFSA-N 2 2 369.469 0.968 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160415054 1223158429 /nfs/dbraw/zinc/15/84/29/1223158429.db2.gz KIALVVCQGYNFKB-CRAIPNDOSA-N 2 2 369.429 0.115 20 0 FCADLP O=C(N1CCC2(CC1)C(=O)Nc1c2cccc1F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160422149 1223158757 /nfs/dbraw/zinc/15/87/57/1223158757.db2.gz VGAXXVUYEIMASY-BLVKFPJESA-N 2 2 358.417 0.590 20 0 FCADLP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160443319 1223159746 /nfs/dbraw/zinc/15/97/46/1223159746.db2.gz GEAZRCNWXXQWQB-FOIQADDNSA-N 2 2 354.454 0.518 20 0 FCADLP [NH3+][C@H]1CCCCN(CC(=O)N2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC001160482450 1223161436 /nfs/dbraw/zinc/16/14/36/1223161436.db2.gz HGANXZKLEHTUKP-KRWDZBQOSA-N 2 2 359.474 0.108 20 0 FCADLP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482783 1223162497 /nfs/dbraw/zinc/16/24/97/1223162497.db2.gz MJCWLXXMDHTKQS-QUCCMNQESA-N 2 2 371.529 0.842 20 0 FCADLP O=C(N1CC[NH+](Cc2c[nH]c3ncccc23)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160566224 1223164509 /nfs/dbraw/zinc/16/45/09/1223164509.db2.gz NMBASDTWMTVWAZ-OXQOHEQNSA-N 3 2 368.485 0.406 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)cc1 ZINC001160568974 1223164547 /nfs/dbraw/zinc/16/45/47/1223164547.db2.gz KWULAUHAKHUOEZ-KRWDZBQOSA-N 3 2 362.474 0.574 20 0 FCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160693707 1223168825 /nfs/dbraw/zinc/16/88/25/1223168825.db2.gz OFZOJMWOYBITEA-CVEARBPZSA-N 2 2 355.442 0.802 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001160695517 1223168865 /nfs/dbraw/zinc/16/88/65/1223168865.db2.gz FQXJLCLXBZRZBQ-HNNXBMFYSA-N 2 2 358.446 0.939 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)C[NH2+]C2 ZINC001160780884 1223172784 /nfs/dbraw/zinc/17/27/84/1223172784.db2.gz YXIYZCMDHGKUEN-QINHECLXSA-N 2 2 366.469 0.484 20 0 FCADLP O=C(N1CCN(c2ncc(C(F)(F)F)cn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160842409 1223177092 /nfs/dbraw/zinc/17/70/92/1223177092.db2.gz FFNUYMKFNPSZGC-IAQYHMDHSA-N 2 2 370.379 0.096 20 0 FCADLP CCN(C(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12)C1C[NH+](C)C1 ZINC001161137803 1223186541 /nfs/dbraw/zinc/18/65/41/1223186541.db2.gz HFRICUNIWQWYAK-INIZCTEOSA-N 2 2 359.426 0.921 20 0 FCADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161145734 1223187311 /nfs/dbraw/zinc/18/73/11/1223187311.db2.gz ITMRYEIXMFVZNR-IAGOWNOFSA-N 3 2 362.474 0.329 20 0 FCADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161145734 1223187317 /nfs/dbraw/zinc/18/73/17/1223187317.db2.gz ITMRYEIXMFVZNR-IAGOWNOFSA-N 3 2 362.474 0.329 20 0 FCADLP CCCNC(=O)c1ccccc1OC1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001161408994 1223198591 /nfs/dbraw/zinc/19/85/91/1223198591.db2.gz BRWQINWCCSGNTJ-IRXDYDNUSA-N 2 2 374.485 0.743 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc3c(c2)CCC3=O)CC1 ZINC001161455387 1223199858 /nfs/dbraw/zinc/19/98/58/1223199858.db2.gz FHDJCWHTJGBBME-KRWDZBQOSA-N 2 2 353.426 0.757 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161580540 1223204891 /nfs/dbraw/zinc/20/48/91/1223204891.db2.gz XJNFELIZNAMMHU-SFHVURJKSA-N 3 2 353.470 0.954 20 0 FCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001162249053 1223211836 /nfs/dbraw/zinc/21/18/36/1223211836.db2.gz OFYZTEMJUWMNSO-HOTGVXAUSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001162249053 1223211840 /nfs/dbraw/zinc/21/18/40/1223211840.db2.gz OFYZTEMJUWMNSO-HOTGVXAUSA-N 2 2 363.506 0.546 20 0 FCADLP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](Cc2cnon2)CC1 ZINC001162282987 1223212827 /nfs/dbraw/zinc/21/28/27/1223212827.db2.gz DOIMCXNTTYQXBA-GDBMZVCRSA-N 2 2 365.478 0.755 20 0 FCADLP COCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](Cc2cnon2)CC1 ZINC001162282987 1223212829 /nfs/dbraw/zinc/21/28/29/1223212829.db2.gz DOIMCXNTTYQXBA-GDBMZVCRSA-N 2 2 365.478 0.755 20 0 FCADLP CN1CCN(c2cc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)[nH+]cn2)CC1=O ZINC001163056815 1223225054 /nfs/dbraw/zinc/22/50/54/1223225054.db2.gz JUZUNVRTMYWQHS-OAHLLOKOSA-N 2 2 369.473 0.778 20 0 FCADLP CN1CCN(c2cc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)nc[nH+]2)CC1=O ZINC001163056815 1223225056 /nfs/dbraw/zinc/22/50/56/1223225056.db2.gz JUZUNVRTMYWQHS-OAHLLOKOSA-N 2 2 369.473 0.778 20 0 FCADLP COC(=O)C1CCN(c2cc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)[nH+]cn2)CC1 ZINC001163094090 1223225409 /nfs/dbraw/zinc/22/54/09/1223225409.db2.gz GYZBMLFWHPBRHK-RBSFLKMASA-N 2 2 361.446 0.512 20 0 FCADLP COC(=O)C1CCN(c2cc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)nc[nH+]2)CC1 ZINC001163094090 1223225410 /nfs/dbraw/zinc/22/54/10/1223225410.db2.gz GYZBMLFWHPBRHK-RBSFLKMASA-N 2 2 361.446 0.512 20 0 FCADLP CN1CCN(c2cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1=O ZINC001163278832 1223228466 /nfs/dbraw/zinc/22/84/66/1223228466.db2.gz KONVREVUEATVLX-KBXCAEBGSA-N 2 2 360.462 0.326 20 0 FCADLP CN1CCN(c2cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1=O ZINC001163278832 1223228468 /nfs/dbraw/zinc/22/84/68/1223228468.db2.gz KONVREVUEATVLX-KBXCAEBGSA-N 2 2 360.462 0.326 20 0 FCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nccc(N3CCC([NH3+])CC3)n2)cn1 ZINC001163412193 1223229790 /nfs/dbraw/zinc/22/97/90/1223229790.db2.gz KBRWZZCBWFKBJO-AWEZNQCLSA-N 2 2 359.434 0.023 20 0 FCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3c2ccc(N3CC[NH2+]CC3)c[nH+]2)cn1 ZINC001165632113 1223252380 /nfs/dbraw/zinc/25/23/80/1223252380.db2.gz SKBNRURJIKERFT-DLBZAZTESA-N 2 2 367.457 0.609 20 0 FCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1ncnc3c1C[NH2+]C3)C2 ZINC001165959515 1223263721 /nfs/dbraw/zinc/26/37/21/1223263721.db2.gz HQMLRHUMESMOHU-UHFFFAOYSA-N 2 2 364.413 0.292 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205657441 1223334103 /nfs/dbraw/zinc/33/41/03/1223334103.db2.gz DACALWDKRCNKJO-GOEBONIOSA-N 2 2 359.405 0.422 20 0 FCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001205742160 1223337741 /nfs/dbraw/zinc/33/77/41/1223337741.db2.gz YTOZOBZEURWZNL-NXHRZFHOSA-N 2 2 369.506 0.075 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2ccnn2C)CC3)cn1 ZINC001206342942 1223356354 /nfs/dbraw/zinc/35/63/54/1223356354.db2.gz RJAWJZVZTVWGOK-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2ccnn2C)CC3)cn1 ZINC001206342942 1223356358 /nfs/dbraw/zinc/35/63/58/1223356358.db2.gz RJAWJZVZTVWGOK-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973844 1223398908 /nfs/dbraw/zinc/39/89/08/1223398908.db2.gz YIHIZQKRBVRPPL-MGPQQGTHSA-N 2 2 367.494 0.271 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973844 1223398913 /nfs/dbraw/zinc/39/89/13/1223398913.db2.gz YIHIZQKRBVRPPL-MGPQQGTHSA-N 2 2 367.494 0.271 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973843 1223399085 /nfs/dbraw/zinc/39/90/85/1223399085.db2.gz YIHIZQKRBVRPPL-HZSPNIEDSA-N 2 2 367.494 0.271 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206973843 1223399088 /nfs/dbraw/zinc/39/90/88/1223399088.db2.gz YIHIZQKRBVRPPL-HZSPNIEDSA-N 2 2 367.494 0.271 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974685 1223399189 /nfs/dbraw/zinc/39/91/89/1223399189.db2.gz NRTSPXZQTLSJOB-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974685 1223399193 /nfs/dbraw/zinc/39/91/93/1223399193.db2.gz NRTSPXZQTLSJOB-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546798 1223454244 /nfs/dbraw/zinc/45/42/44/1223454244.db2.gz ACFQNVFDVWOHIX-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546798 1223454245 /nfs/dbraw/zinc/45/42/45/1223454245.db2.gz ACFQNVFDVWOHIX-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547421 1223454984 /nfs/dbraw/zinc/45/49/84/1223454984.db2.gz WBCYRONCQDDBLE-KBAYOESNSA-N 2 2 363.506 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547421 1223454985 /nfs/dbraw/zinc/45/49/85/1223454985.db2.gz WBCYRONCQDDBLE-KBAYOESNSA-N 2 2 363.506 0.819 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207602299 1223460762 /nfs/dbraw/zinc/46/07/62/1223460762.db2.gz PPVQXEXEUZCXDR-DNNBLBMLSA-N 2 2 363.462 0.102 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001207602299 1223460764 /nfs/dbraw/zinc/46/07/64/1223460764.db2.gz PPVQXEXEUZCXDR-DNNBLBMLSA-N 2 2 363.462 0.102 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001207643615 1223463865 /nfs/dbraw/zinc/46/38/65/1223463865.db2.gz DZYHHIOUBRBRHY-KYJSFNMBSA-N 2 2 364.490 0.919 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C)[NH+](C)C ZINC001207643615 1223463867 /nfs/dbraw/zinc/46/38/67/1223463867.db2.gz DZYHHIOUBRBRHY-KYJSFNMBSA-N 2 2 364.490 0.919 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686504 1223470734 /nfs/dbraw/zinc/47/07/34/1223470734.db2.gz CXBVXZPVMGRYIT-KLHDSHLOSA-N 2 2 368.522 0.304 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686504 1223470736 /nfs/dbraw/zinc/47/07/36/1223470736.db2.gz CXBVXZPVMGRYIT-KLHDSHLOSA-N 2 2 368.522 0.304 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001207686504 1223470738 /nfs/dbraw/zinc/47/07/38/1223470738.db2.gz CXBVXZPVMGRYIT-KLHDSHLOSA-N 2 2 368.522 0.304 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001207686504 1223470740 /nfs/dbraw/zinc/47/07/40/1223470740.db2.gz CXBVXZPVMGRYIT-KLHDSHLOSA-N 2 2 368.522 0.304 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757860 1223476996 /nfs/dbraw/zinc/47/69/96/1223476996.db2.gz OJVVRYGENCUKKR-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757860 1223477000 /nfs/dbraw/zinc/47/70/00/1223477000.db2.gz OJVVRYGENCUKKR-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001207762520 1223477742 /nfs/dbraw/zinc/47/77/42/1223477742.db2.gz WGWDOSDCBZJZIU-QIIPPGSGSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001207762520 1223477743 /nfs/dbraw/zinc/47/77/43/1223477743.db2.gz WGWDOSDCBZJZIU-QIIPPGSGSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001207762520 1223477747 /nfs/dbraw/zinc/47/77/47/1223477747.db2.gz WGWDOSDCBZJZIU-QIIPPGSGSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001207762520 1223477749 /nfs/dbraw/zinc/47/77/49/1223477749.db2.gz WGWDOSDCBZJZIU-QIIPPGSGSA-N 2 2 364.490 0.923 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@H+](CC1(C)COC1)C2 ZINC001207793881 1223479867 /nfs/dbraw/zinc/47/98/67/1223479867.db2.gz AZJHKLOAUNBURW-MRXNPFEDSA-N 2 2 364.490 0.705 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@@H+](CC1(C)COC1)C2 ZINC001207793881 1223479869 /nfs/dbraw/zinc/47/98/69/1223479869.db2.gz AZJHKLOAUNBURW-MRXNPFEDSA-N 2 2 364.490 0.705 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281752 1223531310 /nfs/dbraw/zinc/53/13/10/1223531310.db2.gz YVWVMIYUIIOQHP-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281752 1223531312 /nfs/dbraw/zinc/53/13/12/1223531312.db2.gz YVWVMIYUIIOQHP-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405158 1223539030 /nfs/dbraw/zinc/53/90/30/1223539030.db2.gz MERCZHYPJJNSGO-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405158 1223539037 /nfs/dbraw/zinc/53/90/37/1223539037.db2.gz MERCZHYPJJNSGO-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405158 1223539043 /nfs/dbraw/zinc/53/90/43/1223539043.db2.gz MERCZHYPJJNSGO-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2C)C1 ZINC001208405158 1223539048 /nfs/dbraw/zinc/53/90/48/1223539048.db2.gz MERCZHYPJJNSGO-DJIMGWMZSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405089 1223539093 /nfs/dbraw/zinc/53/90/93/1223539093.db2.gz JFWCMISANRTGIO-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405089 1223539097 /nfs/dbraw/zinc/53/90/97/1223539097.db2.gz JFWCMISANRTGIO-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405089 1223539102 /nfs/dbraw/zinc/53/91/02/1223539102.db2.gz JFWCMISANRTGIO-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405089 1223539107 /nfs/dbraw/zinc/53/91/07/1223539107.db2.gz JFWCMISANRTGIO-BRWVUGGUSA-N 2 2 368.522 0.399 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276605492 1223590704 /nfs/dbraw/zinc/59/07/04/1223590704.db2.gz JQZYJLOJZUQWHS-BEFAXECRSA-N 2 2 369.506 0.829 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276605492 1223590710 /nfs/dbraw/zinc/59/07/10/1223590710.db2.gz JQZYJLOJZUQWHS-BEFAXECRSA-N 2 2 369.506 0.829 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209135227 1223599902 /nfs/dbraw/zinc/59/99/02/1223599902.db2.gz YMMBFYKGRARUHV-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209135227 1223599907 /nfs/dbraw/zinc/59/99/07/1223599907.db2.gz YMMBFYKGRARUHV-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(CC[NH+]3CCCCC3)C[C@@]2(F)C1=O ZINC001276640311 1223618012 /nfs/dbraw/zinc/61/80/12/1223618012.db2.gz YOTOUVILOUVPPR-ZWKOTPCHSA-N 2 2 367.444 0.980 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478705 1223623755 /nfs/dbraw/zinc/62/37/55/1223623755.db2.gz YKHYNMDQFVOSQQ-ZACQAIPSSA-N 2 2 366.506 0.204 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515267 1223627297 /nfs/dbraw/zinc/62/72/97/1223627297.db2.gz UDZPGFSMAAYSGQ-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515267 1223627301 /nfs/dbraw/zinc/62/73/01/1223627301.db2.gz UDZPGFSMAAYSGQ-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209697863 1223640979 /nfs/dbraw/zinc/64/09/79/1223640979.db2.gz KQLSEXAYHZIPDX-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209697863 1223640981 /nfs/dbraw/zinc/64/09/81/1223640981.db2.gz KQLSEXAYHZIPDX-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001276669961 1223643804 /nfs/dbraw/zinc/64/38/04/1223643804.db2.gz DBWCKNYWTOPAAR-SFHVURJKSA-N 2 2 363.462 0.269 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001276669961 1223643805 /nfs/dbraw/zinc/64/38/05/1223643805.db2.gz DBWCKNYWTOPAAR-SFHVURJKSA-N 2 2 363.462 0.269 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977576 1223660065 /nfs/dbraw/zinc/66/00/65/1223660065.db2.gz MCRUZYINFLLKQE-FRFSOERESA-N 2 2 359.430 0.325 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977576 1223660067 /nfs/dbraw/zinc/66/00/67/1223660067.db2.gz MCRUZYINFLLKQE-FRFSOERESA-N 2 2 359.430 0.325 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039659 1223720464 /nfs/dbraw/zinc/72/04/64/1223720464.db2.gz SUSXTXCFTVXHMB-IIAWOOMASA-N 2 2 365.478 0.169 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039659 1223720466 /nfs/dbraw/zinc/72/04/66/1223720466.db2.gz SUSXTXCFTVXHMB-IIAWOOMASA-N 2 2 365.478 0.169 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001211039927 1223720947 /nfs/dbraw/zinc/72/09/47/1223720947.db2.gz XNNGWVNQRFJCDB-RHSMWYFYSA-N 2 2 370.457 0.339 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001211039927 1223720950 /nfs/dbraw/zinc/72/09/50/1223720950.db2.gz XNNGWVNQRFJCDB-RHSMWYFYSA-N 2 2 370.457 0.339 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038015 1223721075 /nfs/dbraw/zinc/72/10/75/1223721075.db2.gz AOIVDXMAWFHHAQ-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038015 1223721077 /nfs/dbraw/zinc/72/10/77/1223721077.db2.gz AOIVDXMAWFHHAQ-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211432957 1223741089 /nfs/dbraw/zinc/74/10/89/1223741089.db2.gz AHQUGDJSMXQVKR-NVXWUHKLSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211432957 1223741091 /nfs/dbraw/zinc/74/10/91/1223741091.db2.gz AHQUGDJSMXQVKR-NVXWUHKLSA-N 2 2 361.490 0.968 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001213164191 1223761318 /nfs/dbraw/zinc/76/13/18/1223761318.db2.gz OGHXPFUZEKEIGP-IAGOWNOFSA-N 2 2 371.441 0.290 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001213164191 1223761322 /nfs/dbraw/zinc/76/13/22/1223761322.db2.gz OGHXPFUZEKEIGP-IAGOWNOFSA-N 2 2 371.441 0.290 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239553 1223775345 /nfs/dbraw/zinc/77/53/45/1223775345.db2.gz PSDWBCQUHJFLIZ-GVDBMIGSSA-N 2 2 368.478 0.122 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239553 1223775348 /nfs/dbraw/zinc/77/53/48/1223775348.db2.gz PSDWBCQUHJFLIZ-GVDBMIGSSA-N 2 2 368.478 0.122 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241728 1223775436 /nfs/dbraw/zinc/77/54/36/1223775436.db2.gz LJWVTVFSIQHLPI-HUUCEWRRSA-N 2 2 362.434 0.413 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241728 1223775437 /nfs/dbraw/zinc/77/54/37/1223775437.db2.gz LJWVTVFSIQHLPI-HUUCEWRRSA-N 2 2 362.434 0.413 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327166 1223784894 /nfs/dbraw/zinc/78/48/94/1223784894.db2.gz AGPNIRQXIGOVDC-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327166 1223784897 /nfs/dbraw/zinc/78/48/97/1223784897.db2.gz AGPNIRQXIGOVDC-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001213327166 1223784900 /nfs/dbraw/zinc/78/49/00/1223784900.db2.gz AGPNIRQXIGOVDC-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001213327166 1223784901 /nfs/dbraw/zinc/78/49/01/1223784901.db2.gz AGPNIRQXIGOVDC-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342108 1223788000 /nfs/dbraw/zinc/78/80/00/1223788000.db2.gz HGFNRFZREREMOM-OWCLPIDISA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342108 1223788003 /nfs/dbraw/zinc/78/80/03/1223788003.db2.gz HGFNRFZREREMOM-OWCLPIDISA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348399 1223789324 /nfs/dbraw/zinc/78/93/24/1223789324.db2.gz LCTLEGDSUDEWHM-HZPDHXFCSA-N 2 2 370.538 0.696 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348399 1223789327 /nfs/dbraw/zinc/78/93/27/1223789327.db2.gz LCTLEGDSUDEWHM-HZPDHXFCSA-N 2 2 370.538 0.696 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368750 1223791265 /nfs/dbraw/zinc/79/12/65/1223791265.db2.gz GWCZYHIEAIBWIH-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368750 1223791267 /nfs/dbraw/zinc/79/12/67/1223791267.db2.gz GWCZYHIEAIBWIH-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457901 1223801123 /nfs/dbraw/zinc/80/11/23/1223801123.db2.gz GQEIEMVOAOPFGP-IXDOHACOSA-N 2 2 370.538 0.791 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457901 1223801126 /nfs/dbraw/zinc/80/11/26/1223801126.db2.gz GQEIEMVOAOPFGP-IXDOHACOSA-N 2 2 370.538 0.791 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598165 1223820271 /nfs/dbraw/zinc/82/02/71/1223820271.db2.gz AICLOVAWSVNKEW-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598165 1223820273 /nfs/dbraw/zinc/82/02/73/1223820273.db2.gz AICLOVAWSVNKEW-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213596817 1223820298 /nfs/dbraw/zinc/82/02/98/1223820298.db2.gz LTQRUARXJPVMEF-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213596817 1223820301 /nfs/dbraw/zinc/82/03/01/1223820301.db2.gz LTQRUARXJPVMEF-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213678183 1223831531 /nfs/dbraw/zinc/83/15/31/1223831531.db2.gz IKFQMHPWTWZHFR-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213678183 1223831534 /nfs/dbraw/zinc/83/15/34/1223831534.db2.gz IKFQMHPWTWZHFR-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213678183 1223831535 /nfs/dbraw/zinc/83/15/35/1223831535.db2.gz IKFQMHPWTWZHFR-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1OC ZINC001213678183 1223831537 /nfs/dbraw/zinc/83/15/37/1223831537.db2.gz IKFQMHPWTWZHFR-QZTJIDSGSA-N 2 2 367.465 0.975 20 0 FCADLP O=C1CC[C@H](CN2C(=O)C[C@@]3(CCC[N@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704872 1223843633 /nfs/dbraw/zinc/84/36/33/1223843633.db2.gz JDJQPUSXGXWSTQ-RDTXWAMCSA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@H](CN2C(=O)C[C@@]3(CCC[N@@H+](CCn4cc[nH+]c4)C3)C2=O)N1 ZINC001276704872 1223843634 /nfs/dbraw/zinc/84/36/34/1223843634.db2.gz JDJQPUSXGXWSTQ-RDTXWAMCSA-N 2 2 359.430 0.003 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213756333 1223845001 /nfs/dbraw/zinc/84/50/01/1223845001.db2.gz SEBRDPMXJMYJDZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213756333 1223845003 /nfs/dbraw/zinc/84/50/03/1223845003.db2.gz SEBRDPMXJMYJDZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213756333 1223845004 /nfs/dbraw/zinc/84/50/04/1223845004.db2.gz SEBRDPMXJMYJDZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213756333 1223845005 /nfs/dbraw/zinc/84/50/05/1223845005.db2.gz SEBRDPMXJMYJDZ-GVDBMIGSSA-N 2 2 370.538 0.839 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781126 1223848882 /nfs/dbraw/zinc/84/88/82/1223848882.db2.gz JJSIVMUEJIDUPG-DJIMGWMZSA-N 2 2 366.462 0.272 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781126 1223848884 /nfs/dbraw/zinc/84/88/84/1223848884.db2.gz JJSIVMUEJIDUPG-DJIMGWMZSA-N 2 2 366.462 0.272 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929702 1223874850 /nfs/dbraw/zinc/87/48/50/1223874850.db2.gz HSVBKQQAMXFPDM-BRWVUGGUSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929702 1223874853 /nfs/dbraw/zinc/87/48/53/1223874853.db2.gz HSVBKQQAMXFPDM-BRWVUGGUSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929702 1223874854 /nfs/dbraw/zinc/87/48/54/1223874854.db2.gz HSVBKQQAMXFPDM-BRWVUGGUSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929702 1223874857 /nfs/dbraw/zinc/87/48/57/1223874857.db2.gz HSVBKQQAMXFPDM-BRWVUGGUSA-N 2 2 370.538 0.693 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975445 1223880002 /nfs/dbraw/zinc/88/00/02/1223880002.db2.gz IBTNBAAVZSJLTB-DJIMGWMZSA-N 2 2 362.474 0.068 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975445 1223880004 /nfs/dbraw/zinc/88/00/04/1223880004.db2.gz IBTNBAAVZSJLTB-DJIMGWMZSA-N 2 2 362.474 0.068 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975445 1223880007 /nfs/dbraw/zinc/88/00/07/1223880007.db2.gz IBTNBAAVZSJLTB-DJIMGWMZSA-N 2 2 362.474 0.068 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975445 1223880009 /nfs/dbraw/zinc/88/00/09/1223880009.db2.gz IBTNBAAVZSJLTB-DJIMGWMZSA-N 2 2 362.474 0.068 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C)C(=O)N(C)C ZINC001214672254 1223930840 /nfs/dbraw/zinc/93/08/40/1223930840.db2.gz GVPMPXSYBWKJRN-IIAWOOMASA-N 2 2 361.490 0.675 20 0 FCADLP CCN(C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C)C1CC1 ZINC001214893957 1223952684 /nfs/dbraw/zinc/95/26/84/1223952684.db2.gz AKFBFNASLHSUCB-DNNBLBMLSA-N 2 2 359.474 0.961 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988303 1223961643 /nfs/dbraw/zinc/96/16/43/1223961643.db2.gz SPEJQCICNRFXTF-HLLBOEOZSA-N 2 2 361.490 0.798 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008438 1223963318 /nfs/dbraw/zinc/96/33/18/1223963318.db2.gz OHFQHEYHIYFYKL-BFYDXBDKSA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006029 1223963710 /nfs/dbraw/zinc/96/37/10/1223963710.db2.gz OXCDIQVGTVZQEH-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(=O)NC1CC1 ZINC001215024685 1223964651 /nfs/dbraw/zinc/96/46/51/1223964651.db2.gz OUDOSEUJZGEJDY-BFQNTYOBSA-N 2 2 363.462 0.453 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215025017 1223964729 /nfs/dbraw/zinc/96/47/29/1223964729.db2.gz UPIOVWDFORCZGY-IUODEOHRSA-N 2 2 365.478 0.701 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001215198800 1223981534 /nfs/dbraw/zinc/98/15/34/1223981534.db2.gz MGRVPDBBYCWUND-TVFCKZIOSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215514336 1224002899 /nfs/dbraw/zinc/00/28/99/1224002899.db2.gz KGKXRYVCSKLDTK-IVMMDQJWSA-N 2 2 359.474 0.792 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1nncn1C ZINC001215571360 1224007208 /nfs/dbraw/zinc/00/72/08/1224007208.db2.gz LZPJMNVBHZBLLE-SJLPKXTDSA-N 2 2 370.501 0.926 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1nncn1C ZINC001215571360 1224007212 /nfs/dbraw/zinc/00/72/12/1224007212.db2.gz LZPJMNVBHZBLLE-SJLPKXTDSA-N 2 2 370.501 0.926 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C[C@H]2C)o1 ZINC001215598830 1224008615 /nfs/dbraw/zinc/00/86/15/1224008615.db2.gz JONMAQFHDVEBEL-IJEWVQPXSA-N 2 2 365.478 0.815 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065762 1224032505 /nfs/dbraw/zinc/03/25/05/1224032505.db2.gz UBTRKGOWGKMZHC-CHWSQXEVSA-N 2 2 364.450 0.015 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216184904 1224038092 /nfs/dbraw/zinc/03/80/92/1224038092.db2.gz CVUYWOVZHFASGK-CXAGYDPISA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216981155 1224083340 /nfs/dbraw/zinc/08/33/40/1224083340.db2.gz WFQSPKPFQXFPAP-IXDOHACOSA-N 2 2 360.462 0.357 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001217001434 1224083778 /nfs/dbraw/zinc/08/37/78/1224083778.db2.gz VVCKSEAYZLIQMS-HZSPNIEDSA-N 2 2 357.418 0.137 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC000982299644 1248785801 /nfs/dbraw/zinc/78/58/01/1248785801.db2.gz LEIWIZPWUNXGEJ-SBMOTQJGSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@H+]([C@H]1CCCNC1=O)C2 ZINC000982299644 1248785807 /nfs/dbraw/zinc/78/58/07/1248785807.db2.gz LEIWIZPWUNXGEJ-SBMOTQJGSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC000982299644 1248785813 /nfs/dbraw/zinc/78/58/13/1248785813.db2.gz LEIWIZPWUNXGEJ-SBMOTQJGSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@H+]([C@H]1CCCNC1=O)C2 ZINC000982299644 1248785819 /nfs/dbraw/zinc/78/58/19/1248785819.db2.gz LEIWIZPWUNXGEJ-SBMOTQJGSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC000993326193 1249471992 /nfs/dbraw/zinc/47/19/92/1249471992.db2.gz POJSLHYDFFJWDR-HNAYVOBHSA-N 2 2 371.485 0.888 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)[NH+](C)C ZINC000993489521 1249584043 /nfs/dbraw/zinc/58/40/43/1249584043.db2.gz ATRKDVNYQDIYTP-POZUXBRTSA-N 2 2 361.490 0.845 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CCC1 ZINC000993499629 1249594254 /nfs/dbraw/zinc/59/42/54/1249594254.db2.gz BAAUYFSCQHSGGM-IFXJQAMLSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CCC1 ZINC000993499629 1249594265 /nfs/dbraw/zinc/59/42/65/1249594265.db2.gz BAAUYFSCQHSGGM-IFXJQAMLSA-N 2 2 359.474 0.743 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993502530 1249599616 /nfs/dbraw/zinc/59/96/16/1249599616.db2.gz PFKOORYDBYFSBX-UJAMICLKSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993502530 1249599636 /nfs/dbraw/zinc/59/96/36/1249599636.db2.gz PFKOORYDBYFSBX-UJAMICLKSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000993574758 1249719126 /nfs/dbraw/zinc/71/91/26/1249719126.db2.gz ZCPMBMXOWZUHNL-DTZQCDIJSA-N 2 2 359.474 0.581 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000993574758 1249719137 /nfs/dbraw/zinc/71/91/37/1249719137.db2.gz ZCPMBMXOWZUHNL-DTZQCDIJSA-N 2 2 359.474 0.581 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000993578160 1249723344 /nfs/dbraw/zinc/72/33/44/1249723344.db2.gz 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FCADLP O=C(CCc1c[nH]c[nH+]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950570 1252748585 /nfs/dbraw/zinc/74/85/85/1252748585.db2.gz WPVTVVVVUQNFOD-XDNAFOTISA-N 2 2 371.485 0.932 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950570 1252748595 /nfs/dbraw/zinc/74/85/95/1252748595.db2.gz WPVTVVVVUQNFOD-XDNAFOTISA-N 2 2 371.485 0.932 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001003171514 1252794832 /nfs/dbraw/zinc/79/48/32/1252794832.db2.gz YCWYJWJQJVOJTK-DEORAPPZSA-N 2 2 373.501 0.941 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001003171514 1252794834 /nfs/dbraw/zinc/79/48/34/1252794834.db2.gz YCWYJWJQJVOJTK-DEORAPPZSA-N 2 2 373.501 0.941 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001518771851 1265679722 /nfs/dbraw/zinc/67/97/22/1265679722.db2.gz BUXLXCXHDXYCJR-TWMKSMIVSA-N 2 2 369.554 0.808 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001518771851 1265679727 /nfs/dbraw/zinc/67/97/27/1265679727.db2.gz BUXLXCXHDXYCJR-TWMKSMIVSA-N 2 2 369.554 0.808 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1C ZINC001004215858 1253250408 /nfs/dbraw/zinc/25/04/08/1253250408.db2.gz MKKFVIMSGRIDAO-OAGGEKHMSA-N 2 2 356.430 0.645 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)CC[N@@H+]1C ZINC001004375821 1253309691 /nfs/dbraw/zinc/30/96/91/1253309691.db2.gz MMYGQGJVLOXLOZ-HSMRXVHUSA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)CC[N@H+]1C ZINC001004375821 1253309701 /nfs/dbraw/zinc/30/97/01/1253309701.db2.gz MMYGQGJVLOXLOZ-HSMRXVHUSA-N 2 2 359.474 0.551 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001004816721 1253413694 /nfs/dbraw/zinc/41/36/94/1253413694.db2.gz JTSLNBTXTRBDSD-SRABZTEZSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001004816721 1253413699 /nfs/dbraw/zinc/41/36/99/1253413699.db2.gz JTSLNBTXTRBDSD-SRABZTEZSA-N 2 2 359.474 0.851 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cccnc3F)CC2)CC1 ZINC001329286609 1265727210 /nfs/dbraw/zinc/72/72/10/1265727210.db2.gz GWKCKXXUBYOJMI-UHFFFAOYSA-N 2 2 363.437 0.834 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642694 1265742549 /nfs/dbraw/zinc/74/25/49/1265742549.db2.gz ZSNFTHNOIVNJKP-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642694 1265742554 /nfs/dbraw/zinc/74/25/54/1265742554.db2.gz ZSNFTHNOIVNJKP-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642694 1265742557 /nfs/dbraw/zinc/74/25/57/1265742557.db2.gz ZSNFTHNOIVNJKP-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC[C@H]21 ZINC001519642694 1265742562 /nfs/dbraw/zinc/74/25/62/1265742562.db2.gz ZSNFTHNOIVNJKP-HZPDHXFCSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)CC1 ZINC001022039636 1253763259 /nfs/dbraw/zinc/76/32/59/1253763259.db2.gz VDCTXUOPFSVQTA-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916800 1253847528 /nfs/dbraw/zinc/84/75/28/1253847528.db2.gz OXXKLXSVNZUMEY-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916800 1253847540 /nfs/dbraw/zinc/84/75/40/1253847540.db2.gz OXXKLXSVNZUMEY-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC[N@@H+]1C ZINC001031681455 1253885786 /nfs/dbraw/zinc/88/57/86/1253885786.db2.gz SHNCGNOEIZTISB-MLGOLLRUSA-N 2 2 359.474 0.948 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC[N@H+]1C ZINC001031681455 1253885797 /nfs/dbraw/zinc/88/57/97/1253885797.db2.gz SHNCGNOEIZTISB-MLGOLLRUSA-N 2 2 359.474 0.948 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)c3ccc(F)cc3)C2)O1 ZINC001031765726 1253893604 /nfs/dbraw/zinc/89/36/04/1253893604.db2.gz NIZFYEKKBIRKNF-JEBQAFNWSA-N 2 2 365.449 0.626 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C[C@H](O)c3ccc(F)cc3)C2)O1 ZINC001031765726 1253893611 /nfs/dbraw/zinc/89/36/11/1253893611.db2.gz NIZFYEKKBIRKNF-JEBQAFNWSA-N 2 2 365.449 0.626 20 0 FCADLP CC1CC(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001031869272 1253900273 /nfs/dbraw/zinc/90/02/73/1253900273.db2.gz RUIAUAUBZPOBPA-HWMSQKFYSA-N 2 2 365.518 0.960 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186683 1253947696 /nfs/dbraw/zinc/94/76/96/1253947696.db2.gz YGZAKHCIJVBIMB-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186683 1253947713 /nfs/dbraw/zinc/94/77/13/1253947713.db2.gz YGZAKHCIJVBIMB-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186683 1253947728 /nfs/dbraw/zinc/94/77/28/1253947728.db2.gz YGZAKHCIJVBIMB-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186683 1253947744 /nfs/dbraw/zinc/94/77/44/1253947744.db2.gz YGZAKHCIJVBIMB-FRFSOERESA-N 2 2 364.494 0.358 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC001329645419 1265797921 /nfs/dbraw/zinc/79/79/21/1265797921.db2.gz SLEQEHVVZLCDDP-OAGGEKHMSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1 ZINC001034738353 1254004950 /nfs/dbraw/zinc/00/49/50/1254004950.db2.gz WCGASWXSWQSDKP-AAVRWANBSA-N 2 2 358.450 0.264 20 0 FCADLP CC(C)n1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971205 1254012710 /nfs/dbraw/zinc/01/27/10/1254012710.db2.gz FQFDYYPCOOPTNZ-RBSFLKMASA-N 2 2 365.482 0.054 20 0 FCADLP CC(C)n1nnnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971205 1254012720 /nfs/dbraw/zinc/01/27/20/1254012720.db2.gz FQFDYYPCOOPTNZ-RBSFLKMASA-N 2 2 365.482 0.054 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001061758173 1254217887 /nfs/dbraw/zinc/21/78/87/1254217887.db2.gz YBCOBSUYPAXUSJ-MGPQQGTHSA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001061758173 1254217899 /nfs/dbraw/zinc/21/78/99/1254217899.db2.gz YBCOBSUYPAXUSJ-MGPQQGTHSA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001065208023 1254492517 /nfs/dbraw/zinc/49/25/17/1254492517.db2.gz YWILBHFTXAWUMM-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001065208023 1254492523 /nfs/dbraw/zinc/49/25/23/1254492523.db2.gz YWILBHFTXAWUMM-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001065712912 1254581805 /nfs/dbraw/zinc/58/18/05/1254581805.db2.gz HYKFJCTVMUTBOO-RYRKJORJSA-N 2 2 366.506 0.108 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cc1=O ZINC001075903732 1254655627 /nfs/dbraw/zinc/65/56/27/1254655627.db2.gz GNBSTMPKAGBIMU-BVIKNXMNSA-N 2 2 367.453 0.945 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cc1=O ZINC001075903732 1254655640 /nfs/dbraw/zinc/65/56/40/1254655640.db2.gz GNBSTMPKAGBIMU-BVIKNXMNSA-N 2 2 367.453 0.945 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cc1=O ZINC001075903732 1254655656 /nfs/dbraw/zinc/65/56/56/1254655656.db2.gz GNBSTMPKAGBIMU-BVIKNXMNSA-N 2 2 367.453 0.945 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cc1=O ZINC001075903732 1254655674 /nfs/dbraw/zinc/65/56/74/1254655674.db2.gz GNBSTMPKAGBIMU-BVIKNXMNSA-N 2 2 367.453 0.945 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)n1 ZINC001077565676 1254700217 /nfs/dbraw/zinc/70/02/17/1254700217.db2.gz SWJBYWYJJFINBQ-XJNFMUPTSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)n1 ZINC001077565676 1254700228 /nfs/dbraw/zinc/70/02/28/1254700228.db2.gz SWJBYWYJJFINBQ-XJNFMUPTSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC001077565676 1254700245 /nfs/dbraw/zinc/70/02/45/1254700245.db2.gz SWJBYWYJJFINBQ-XJNFMUPTSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC001077565676 1254700262 /nfs/dbraw/zinc/70/02/62/1254700262.db2.gz SWJBYWYJJFINBQ-XJNFMUPTSA-N 2 2 362.474 0.482 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)o1 ZINC001077567023 1254705428 /nfs/dbraw/zinc/70/54/28/1254705428.db2.gz XJYXNBGFIWXVLL-INMHGKMJSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)o1 ZINC001077567023 1254705437 /nfs/dbraw/zinc/70/54/37/1254705437.db2.gz XJYXNBGFIWXVLL-INMHGKMJSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)o1 ZINC001077567023 1254705458 /nfs/dbraw/zinc/70/54/58/1254705458.db2.gz XJYXNBGFIWXVLL-INMHGKMJSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)o1 ZINC001077567023 1254705470 /nfs/dbraw/zinc/70/54/70/1254705470.db2.gz XJYXNBGFIWXVLL-INMHGKMJSA-N 2 2 366.462 0.062 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582387 1254731138 /nfs/dbraw/zinc/73/11/38/1254731138.db2.gz IEMSJNNPHZNICL-HZPDHXFCSA-N 2 2 361.446 0.092 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582387 1254731155 /nfs/dbraw/zinc/73/11/55/1254731155.db2.gz IEMSJNNPHZNICL-HZPDHXFCSA-N 2 2 361.446 0.092 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679063 1254863209 /nfs/dbraw/zinc/86/32/09/1254863209.db2.gz GFYPYPBLAWNVDI-DJIMGWMZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679063 1254863222 /nfs/dbraw/zinc/86/32/22/1254863222.db2.gz GFYPYPBLAWNVDI-DJIMGWMZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679063 1254863230 /nfs/dbraw/zinc/86/32/30/1254863230.db2.gz GFYPYPBLAWNVDI-DJIMGWMZSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679063 1254863236 /nfs/dbraw/zinc/86/32/36/1254863236.db2.gz GFYPYPBLAWNVDI-DJIMGWMZSA-N 2 2 365.449 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@H]1O)C2 ZINC001077682700 1254874119 /nfs/dbraw/zinc/87/41/19/1254874119.db2.gz FXHCIVKIPOLBPT-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@H]1O)C2 ZINC001077682700 1254874133 /nfs/dbraw/zinc/87/41/33/1254874133.db2.gz FXHCIVKIPOLBPT-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077774182 1254973232 /nfs/dbraw/zinc/97/32/32/1254973232.db2.gz PBGKCXITYUZWQV-KBAYOESNSA-N 2 2 363.506 0.654 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077774182 1254973237 /nfs/dbraw/zinc/97/32/37/1254973237.db2.gz PBGKCXITYUZWQV-KBAYOESNSA-N 2 2 363.506 0.654 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001077979751 1255142551 /nfs/dbraw/zinc/14/25/51/1255142551.db2.gz BXEIEYBQUCUBPX-KZNAEPCWSA-N 2 2 363.506 0.736 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001077979751 1255142556 /nfs/dbraw/zinc/14/25/56/1255142556.db2.gz BXEIEYBQUCUBPX-KZNAEPCWSA-N 2 2 363.506 0.736 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078182003 1255295929 /nfs/dbraw/zinc/29/59/29/1255295929.db2.gz AGZFLTLFFUCHGK-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078182003 1255295934 /nfs/dbraw/zinc/29/59/34/1255295934.db2.gz AGZFLTLFFUCHGK-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210209 1255325717 /nfs/dbraw/zinc/32/57/17/1255325717.db2.gz ZELPQMQZAWDHOY-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210209 1255325723 /nfs/dbraw/zinc/32/57/23/1255325723.db2.gz ZELPQMQZAWDHOY-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210209 1255325730 /nfs/dbraw/zinc/32/57/30/1255325730.db2.gz ZELPQMQZAWDHOY-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210209 1255325735 /nfs/dbraw/zinc/32/57/35/1255325735.db2.gz ZELPQMQZAWDHOY-KURKYZTESA-N 2 2 363.458 0.077 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209194 1255325963 /nfs/dbraw/zinc/32/59/63/1255325963.db2.gz CWLDWDLNFAKRIM-ACAUQZJGSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209194 1255325969 /nfs/dbraw/zinc/32/59/69/1255325969.db2.gz CWLDWDLNFAKRIM-ACAUQZJGSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209194 1255325980 /nfs/dbraw/zinc/32/59/80/1255325980.db2.gz CWLDWDLNFAKRIM-ACAUQZJGSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209194 1255325991 /nfs/dbraw/zinc/32/59/91/1255325991.db2.gz CWLDWDLNFAKRIM-ACAUQZJGSA-N 2 2 359.470 0.582 20 0 FCADLP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)co1 ZINC001078418792 1255410545 /nfs/dbraw/zinc/41/05/45/1255410545.db2.gz WZKIBAFDGKKAMJ-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)co1 ZINC001078418792 1255410549 /nfs/dbraw/zinc/41/05/49/1255410549.db2.gz WZKIBAFDGKKAMJ-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418569 1255410825 /nfs/dbraw/zinc/41/08/25/1255410825.db2.gz QYPFNENVZXBXPM-BFYDXBDKSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418569 1255410831 /nfs/dbraw/zinc/41/08/31/1255410831.db2.gz QYPFNENVZXBXPM-BFYDXBDKSA-N 2 2 366.462 0.409 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001079162571 1255465194 /nfs/dbraw/zinc/46/51/94/1255465194.db2.gz QVFPFQGBFADSSS-JKSUJKDBSA-N 2 2 359.405 0.482 20 0 FCADLP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244710 1255485043 /nfs/dbraw/zinc/48/50/43/1255485043.db2.gz AUQASITXPFOYLT-HYVNUMGLSA-N 2 2 362.474 0.663 20 0 FCADLP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244710 1255485046 /nfs/dbraw/zinc/48/50/46/1255485046.db2.gz AUQASITXPFOYLT-HYVNUMGLSA-N 2 2 362.474 0.663 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC2(CC[NH+](CCCO)CC2)[C@H]2COC[C@H]21 ZINC001079254756 1255489689 /nfs/dbraw/zinc/48/96/89/1255489689.db2.gz SVRMPADJLQGUTB-DLBZAZTESA-N 2 2 362.474 0.595 20 0 FCADLP C[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079527771 1255535790 /nfs/dbraw/zinc/53/57/90/1255535790.db2.gz DYQHLYLMNBRCHP-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079527771 1255535794 /nfs/dbraw/zinc/53/57/94/1255535794.db2.gz DYQHLYLMNBRCHP-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079527771 1255535799 /nfs/dbraw/zinc/53/57/99/1255535799.db2.gz DYQHLYLMNBRCHP-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079527771 1255535805 /nfs/dbraw/zinc/53/58/05/1255535805.db2.gz DYQHLYLMNBRCHP-ZTFGCOKTSA-N 2 2 365.449 0.972 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1=O ZINC001079723910 1255586963 /nfs/dbraw/zinc/58/69/63/1255586963.db2.gz QCAARXVTEHWPHS-RRCSTGOVSA-N 2 2 363.458 0.925 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1=O ZINC001079723910 1255586967 /nfs/dbraw/zinc/58/69/67/1255586967.db2.gz QCAARXVTEHWPHS-RRCSTGOVSA-N 2 2 363.458 0.925 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC001079723910 1255586969 /nfs/dbraw/zinc/58/69/69/1255586969.db2.gz QCAARXVTEHWPHS-RRCSTGOVSA-N 2 2 363.458 0.925 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC001079723910 1255586972 /nfs/dbraw/zinc/58/69/72/1255586972.db2.gz QCAARXVTEHWPHS-RRCSTGOVSA-N 2 2 363.458 0.925 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079739652 1255590440 /nfs/dbraw/zinc/59/04/40/1255590440.db2.gz AWMOLZUXEAYGDE-BMFZPTHFSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079739652 1255590442 /nfs/dbraw/zinc/59/04/42/1255590442.db2.gz AWMOLZUXEAYGDE-BMFZPTHFSA-N 2 2 359.474 0.477 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844795 1255630655 /nfs/dbraw/zinc/63/06/55/1255630655.db2.gz CBSGAQVYMQUWCX-RBSFLKMASA-N 2 2 364.494 0.023 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844795 1255630662 /nfs/dbraw/zinc/63/06/62/1255630662.db2.gz CBSGAQVYMQUWCX-RBSFLKMASA-N 2 2 364.494 0.023 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844795 1255630667 /nfs/dbraw/zinc/63/06/67/1255630667.db2.gz CBSGAQVYMQUWCX-RBSFLKMASA-N 2 2 364.494 0.023 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844795 1255630672 /nfs/dbraw/zinc/63/06/72/1255630672.db2.gz CBSGAQVYMQUWCX-RBSFLKMASA-N 2 2 364.494 0.023 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950306 1255676487 /nfs/dbraw/zinc/67/64/87/1255676487.db2.gz MCKFHYSAPNRMSH-QBPKDAKJSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950306 1255676490 /nfs/dbraw/zinc/67/64/90/1255676490.db2.gz MCKFHYSAPNRMSH-QBPKDAKJSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950306 1255676493 /nfs/dbraw/zinc/67/64/93/1255676493.db2.gz MCKFHYSAPNRMSH-QBPKDAKJSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950306 1255676499 /nfs/dbraw/zinc/67/64/99/1255676499.db2.gz MCKFHYSAPNRMSH-QBPKDAKJSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982102 1255691250 /nfs/dbraw/zinc/69/12/50/1255691250.db2.gz NQOBVFROHMVCJQ-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982102 1255691253 /nfs/dbraw/zinc/69/12/53/1255691253.db2.gz NQOBVFROHMVCJQ-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079981955 1255691847 /nfs/dbraw/zinc/69/18/47/1255691847.db2.gz IMPYPKHCANKCAT-RVKKMQEKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079981955 1255691857 /nfs/dbraw/zinc/69/18/57/1255691857.db2.gz IMPYPKHCANKCAT-RVKKMQEKSA-N 2 2 356.474 0.858 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001079991683 1255696876 /nfs/dbraw/zinc/69/68/76/1255696876.db2.gz PBXAQMJQMNAYAY-MZMPZRCHSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001079991683 1255696884 /nfs/dbraw/zinc/69/68/84/1255696884.db2.gz PBXAQMJQMNAYAY-MZMPZRCHSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080107232 1255748261 /nfs/dbraw/zinc/74/82/61/1255748261.db2.gz VIRSZRZJVVWMGF-XYPHTWIQSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080107232 1255748268 /nfs/dbraw/zinc/74/82/68/1255748268.db2.gz VIRSZRZJVVWMGF-XYPHTWIQSA-N 2 2 368.441 0.548 20 0 FCADLP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080138238 1255755344 /nfs/dbraw/zinc/75/53/44/1255755344.db2.gz DGEWUHAHFZIBRU-HUUCEWRRSA-N 2 2 363.462 0.151 20 0 FCADLP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080138238 1255755351 /nfs/dbraw/zinc/75/53/51/1255755351.db2.gz DGEWUHAHFZIBRU-HUUCEWRRSA-N 2 2 363.462 0.151 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)ncn1 ZINC001080324821 1255841143 /nfs/dbraw/zinc/84/11/43/1255841143.db2.gz DZOJUBXKFSCATE-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)ncn1 ZINC001080324821 1255841152 /nfs/dbraw/zinc/84/11/52/1255841152.db2.gz DZOJUBXKFSCATE-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)ncn1 ZINC001080324821 1255841157 /nfs/dbraw/zinc/84/11/57/1255841157.db2.gz DZOJUBXKFSCATE-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)ncn1 ZINC001080324821 1255841166 /nfs/dbraw/zinc/84/11/66/1255841166.db2.gz DZOJUBXKFSCATE-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N3CCC3)C[C@H]1C)CC2 ZINC001080342132 1255856142 /nfs/dbraw/zinc/85/61/42/1255856142.db2.gz JAWWGSZETBBBDA-UKPHBRMFSA-N 2 2 359.474 0.423 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N3CCC3)C[C@H]1C)CC2 ZINC001080342132 1255856148 /nfs/dbraw/zinc/85/61/48/1255856148.db2.gz JAWWGSZETBBBDA-UKPHBRMFSA-N 2 2 359.474 0.423 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080447272 1255892096 /nfs/dbraw/zinc/89/20/96/1255892096.db2.gz WNDJWDLXEZGRRN-ZMSDIMECSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080447272 1255892101 /nfs/dbraw/zinc/89/21/01/1255892101.db2.gz WNDJWDLXEZGRRN-ZMSDIMECSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080447272 1255892106 /nfs/dbraw/zinc/89/21/06/1255892106.db2.gz WNDJWDLXEZGRRN-ZMSDIMECSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080447272 1255892112 /nfs/dbraw/zinc/89/21/12/1255892112.db2.gz WNDJWDLXEZGRRN-ZMSDIMECSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449057 1255893582 /nfs/dbraw/zinc/89/35/82/1255893582.db2.gz GEUHIJWSROENCR-SIIHOXLZSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449057 1255893593 /nfs/dbraw/zinc/89/35/93/1255893593.db2.gz GEUHIJWSROENCR-SIIHOXLZSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080449057 1255893599 /nfs/dbraw/zinc/89/35/99/1255893599.db2.gz GEUHIJWSROENCR-SIIHOXLZSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080449057 1255893604 /nfs/dbraw/zinc/89/36/04/1255893604.db2.gz GEUHIJWSROENCR-SIIHOXLZSA-N 2 2 366.485 0.964 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080470973 1255906857 /nfs/dbraw/zinc/90/68/57/1255906857.db2.gz HSESGSXIHVTASE-QBPKDAKJSA-N 2 2 373.501 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080470973 1255906863 /nfs/dbraw/zinc/90/68/63/1255906863.db2.gz HSESGSXIHVTASE-QBPKDAKJSA-N 2 2 373.501 0.973 20 0 FCADLP C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+]1CCN(C)CC1 ZINC001520792731 1266002330 /nfs/dbraw/zinc/00/23/30/1266002330.db2.gz CHPWKXXUMSWEIU-QGZVFWFLSA-N 2 2 367.538 0.567 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682127 1255985896 /nfs/dbraw/zinc/98/58/96/1255985896.db2.gz YPJCCGOUKHIZNB-KBRIMQKVSA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080682127 1255985907 /nfs/dbraw/zinc/98/59/07/1255985907.db2.gz YPJCCGOUKHIZNB-KBRIMQKVSA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038271 1256156373 /nfs/dbraw/zinc/15/63/73/1256156373.db2.gz VUHAEMIXXKRPNA-UKRRQHHQSA-N 2 2 369.425 0.965 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc3oc(=O)n(C)c3c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038271 1256156377 /nfs/dbraw/zinc/15/63/77/1256156377.db2.gz VUHAEMIXXKRPNA-UKRRQHHQSA-N 2 2 369.425 0.965 20 0 FCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001081036219 1256157329 /nfs/dbraw/zinc/15/73/29/1256157329.db2.gz ZNHUASVYRQYLCK-RHSMWYFYSA-N 2 2 355.442 0.879 20 0 FCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001081036219 1256157336 /nfs/dbraw/zinc/15/73/36/1256157336.db2.gz ZNHUASVYRQYLCK-RHSMWYFYSA-N 2 2 355.442 0.879 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1 ZINC001081135273 1256190056 /nfs/dbraw/zinc/19/00/56/1256190056.db2.gz OBCNNFNVZZUERC-YESZJQIVSA-N 2 2 367.453 0.515 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001081135420 1256190245 /nfs/dbraw/zinc/19/02/45/1256190245.db2.gz WKKUAYQTPSASRQ-IXDOHACOSA-N 2 2 367.453 0.515 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1)C(N)=O ZINC001081189600 1256201407 /nfs/dbraw/zinc/20/14/07/1256201407.db2.gz ZFKDAAYEJSSYKN-GVDBMIGSSA-N 2 2 355.442 0.800 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001081189185 1256202372 /nfs/dbraw/zinc/20/23/72/1256202372.db2.gz NQCKGQBUUNBRQA-BHYGNILZSA-N 2 2 355.442 0.904 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1)C(N)=O ZINC001081204632 1256206791 /nfs/dbraw/zinc/20/67/91/1256206791.db2.gz AYMMRUKKEFNVFR-HRCADAONSA-N 2 2 355.442 0.800 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481288 1256269922 /nfs/dbraw/zinc/26/99/22/1256269922.db2.gz CVGFXNPWXYBLKR-KURKYZTESA-N 2 2 365.449 0.780 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481288 1256269925 /nfs/dbraw/zinc/26/99/25/1256269925.db2.gz CVGFXNPWXYBLKR-KURKYZTESA-N 2 2 365.449 0.780 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481288 1256269930 /nfs/dbraw/zinc/26/99/30/1256269930.db2.gz CVGFXNPWXYBLKR-KURKYZTESA-N 2 2 365.449 0.780 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(F)cc2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481288 1256269936 /nfs/dbraw/zinc/26/99/36/1256269936.db2.gz CVGFXNPWXYBLKR-KURKYZTESA-N 2 2 365.449 0.780 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699508 1256338211 /nfs/dbraw/zinc/33/82/11/1256338211.db2.gz ZSLFRHZNOGPAQD-YLFCFFPRSA-N 2 2 366.506 0.153 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]2OC)CC[N@H+]1C ZINC001081699508 1256338219 /nfs/dbraw/zinc/33/82/19/1256338219.db2.gz ZSLFRHZNOGPAQD-YLFCFFPRSA-N 2 2 366.506 0.153 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2OC)CC[NH+]1C ZINC001081699508 1256338227 /nfs/dbraw/zinc/33/82/27/1256338227.db2.gz ZSLFRHZNOGPAQD-YLFCFFPRSA-N 2 2 366.506 0.153 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2OC)CC[NH+]1C ZINC001081699508 1256338230 /nfs/dbraw/zinc/33/82/30/1256338230.db2.gz ZSLFRHZNOGPAQD-YLFCFFPRSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081796148 1256373907 /nfs/dbraw/zinc/37/39/07/1256373907.db2.gz GOHVVLXPUYHJOM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081796148 1256373915 /nfs/dbraw/zinc/37/39/15/1256373915.db2.gz GOHVVLXPUYHJOM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001081796148 1256373922 /nfs/dbraw/zinc/37/39/22/1256373922.db2.gz GOHVVLXPUYHJOM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796148 1256373926 /nfs/dbraw/zinc/37/39/26/1256373926.db2.gz GOHVVLXPUYHJOM-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001081871118 1256422352 /nfs/dbraw/zinc/42/23/52/1256422352.db2.gz YTIFWIXQZPAPFV-BRWVUGGUSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001081871118 1256422354 /nfs/dbraw/zinc/42/23/54/1256422354.db2.gz YTIFWIXQZPAPFV-BRWVUGGUSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880284 1256427487 /nfs/dbraw/zinc/42/74/87/1256427487.db2.gz UOQCQTOUALMGDG-KBRIMQKVSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880284 1256427491 /nfs/dbraw/zinc/42/74/91/1256427491.db2.gz UOQCQTOUALMGDG-KBRIMQKVSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949594 1256468339 /nfs/dbraw/zinc/46/83/39/1256468339.db2.gz XAQMVRATJLESRV-HZPDHXFCSA-N 2 2 363.462 0.019 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949594 1256468342 /nfs/dbraw/zinc/46/83/42/1256468342.db2.gz XAQMVRATJLESRV-HZPDHXFCSA-N 2 2 363.462 0.019 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)n1 ZINC001081949257 1256469065 /nfs/dbraw/zinc/46/90/65/1256469065.db2.gz GWYPYQFUJVOYPW-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)n1 ZINC001081949257 1256469067 /nfs/dbraw/zinc/46/90/67/1256469067.db2.gz GWYPYQFUJVOYPW-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018794 1256498884 /nfs/dbraw/zinc/49/88/84/1256498884.db2.gz VDVFDPBPUINWJW-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018794 1256498889 /nfs/dbraw/zinc/49/88/89/1256498889.db2.gz VDVFDPBPUINWJW-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@H](OC)C2)ccn1 ZINC001082134023 1256551998 /nfs/dbraw/zinc/55/19/98/1256551998.db2.gz YALMWMVJQSAZSH-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@H](OC)C2)ccn1 ZINC001082134023 1256552003 /nfs/dbraw/zinc/55/20/03/1256552003.db2.gz YALMWMVJQSAZSH-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@H](OC)C2)ccn1 ZINC001082134023 1256552008 /nfs/dbraw/zinc/55/20/08/1256552008.db2.gz YALMWMVJQSAZSH-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@H](OC)C2)ccn1 ZINC001082134023 1256552012 /nfs/dbraw/zinc/55/20/12/1256552012.db2.gz YALMWMVJQSAZSH-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149796 1256564774 /nfs/dbraw/zinc/56/47/74/1256564774.db2.gz OXDTZPUTYSKKOV-YFHUEUNASA-N 2 2 372.473 0.315 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149796 1256564781 /nfs/dbraw/zinc/56/47/81/1256564781.db2.gz OXDTZPUTYSKKOV-YFHUEUNASA-N 2 2 372.473 0.315 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271501 1256622645 /nfs/dbraw/zinc/62/26/45/1256622645.db2.gz DDUDEOXHJNDKNL-QZTJIDSGSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271501 1256622647 /nfs/dbraw/zinc/62/26/47/1256622647.db2.gz DDUDEOXHJNDKNL-QZTJIDSGSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371294 1256720286 /nfs/dbraw/zinc/72/02/86/1256720286.db2.gz BAEAUQNPJYJQOK-HUUCEWRRSA-N 2 2 362.434 0.331 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371294 1256720294 /nfs/dbraw/zinc/72/02/94/1256720294.db2.gz BAEAUQNPJYJQOK-HUUCEWRRSA-N 2 2 362.434 0.331 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371640 1256720405 /nfs/dbraw/zinc/72/04/05/1256720405.db2.gz SYGAKBDRFXSFLK-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371640 1256720412 /nfs/dbraw/zinc/72/04/12/1256720412.db2.gz SYGAKBDRFXSFLK-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384864 1256736818 /nfs/dbraw/zinc/73/68/18/1256736818.db2.gz OUZUZGNWCHBWKR-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384864 1256736824 /nfs/dbraw/zinc/73/68/24/1256736824.db2.gz OUZUZGNWCHBWKR-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384864 1256736828 /nfs/dbraw/zinc/73/68/28/1256736828.db2.gz OUZUZGNWCHBWKR-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1OC ZINC001082384864 1256736832 /nfs/dbraw/zinc/73/68/32/1256736832.db2.gz OUZUZGNWCHBWKR-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458529 1256770957 /nfs/dbraw/zinc/77/09/57/1256770957.db2.gz SOOFLFTXDIOHFZ-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458529 1256770958 /nfs/dbraw/zinc/77/09/58/1256770958.db2.gz SOOFLFTXDIOHFZ-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001330593690 1266066697 /nfs/dbraw/zinc/06/66/97/1266066697.db2.gz ARGYBAGTJKUZCF-MRXNPFEDSA-N 2 2 363.510 0.258 20 0 FCADLP CN(C(=O)c1cn(CCCC[NH3+])nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001330593690 1266066708 /nfs/dbraw/zinc/06/67/08/1266066708.db2.gz ARGYBAGTJKUZCF-MRXNPFEDSA-N 2 2 363.510 0.258 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001082549526 1256840401 /nfs/dbraw/zinc/84/04/01/1256840401.db2.gz HBVJCKCTCVZDCM-XOKHGSTOSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001082549526 1256840410 /nfs/dbraw/zinc/84/04/10/1256840410.db2.gz HBVJCKCTCVZDCM-XOKHGSTOSA-N 2 2 359.474 0.932 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001082590926 1256903743 /nfs/dbraw/zinc/90/37/43/1256903743.db2.gz TXOQBCNDCZKWKB-UKRRQHHQSA-N 2 2 361.446 0.094 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590218 1256904676 /nfs/dbraw/zinc/90/46/76/1256904676.db2.gz KERDJKXDZQZDPN-KLHDSHLOSA-N 2 2 364.494 0.515 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590218 1256904679 /nfs/dbraw/zinc/90/46/79/1256904679.db2.gz KERDJKXDZQZDPN-KLHDSHLOSA-N 2 2 364.494 0.515 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C)nn1 ZINC001082603274 1256914805 /nfs/dbraw/zinc/91/48/05/1256914805.db2.gz SDEAICIGFXEQSE-IIAWOOMASA-N 2 2 370.457 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082604595 1256916580 /nfs/dbraw/zinc/91/65/80/1256916580.db2.gz UVGYKPDPHGQOLU-UWWQBHOKSA-N 2 2 369.469 0.781 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)nn1 ZINC001082658848 1256963055 /nfs/dbraw/zinc/96/30/55/1256963055.db2.gz BMLJJHMRYZXBHA-UKRRQHHQSA-N 2 2 358.446 0.788 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082659039 1256963088 /nfs/dbraw/zinc/96/30/88/1256963088.db2.gz PIPWOXZWTPGXIH-GDBMZVCRSA-N 2 2 357.458 0.688 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)n1 ZINC001082659001 1256963500 /nfs/dbraw/zinc/96/35/00/1256963500.db2.gz NBMKFCCUWBENHU-UKRRQHHQSA-N 2 2 358.446 0.788 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001082663805 1256966677 /nfs/dbraw/zinc/96/66/77/1256966677.db2.gz GQWKFAXBXKMNDR-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001082663805 1256966681 /nfs/dbraw/zinc/96/66/81/1256966681.db2.gz GQWKFAXBXKMNDR-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001082663886 1256967000 /nfs/dbraw/zinc/96/70/00/1256967000.db2.gz KFVLCJJXYGPGSH-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001082663886 1256967003 /nfs/dbraw/zinc/96/70/03/1256967003.db2.gz KFVLCJJXYGPGSH-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001082673372 1256973054 /nfs/dbraw/zinc/97/30/54/1256973054.db2.gz JXIJSNFAYGDDQF-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C)n1 ZINC001082705438 1256996381 /nfs/dbraw/zinc/99/63/81/1256996381.db2.gz DCFRUWOSGZLYCU-CBBWQLFWSA-N 2 2 365.478 0.883 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C)n1 ZINC001082705438 1256996384 /nfs/dbraw/zinc/99/63/84/1256996384.db2.gz DCFRUWOSGZLYCU-CBBWQLFWSA-N 2 2 365.478 0.883 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C)c1nnnn1C ZINC001082709710 1257002539 /nfs/dbraw/zinc/00/25/39/1257002539.db2.gz LQQUXUSBXSXPMS-MBNYWOFBSA-N 2 2 361.450 0.676 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082751584 1257030934 /nfs/dbraw/zinc/03/09/34/1257030934.db2.gz NNUAWLZLZKUYIC-MWQQHZPXSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082750462 1257031706 /nfs/dbraw/zinc/03/17/06/1257031706.db2.gz QYRWXJUZEXAZEA-KLHDSHLOSA-N 2 2 359.474 0.583 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119827 1266085059 /nfs/dbraw/zinc/08/50/59/1266085059.db2.gz QSROKOBGSOTXLE-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119827 1266085069 /nfs/dbraw/zinc/08/50/69/1266085069.db2.gz QSROKOBGSOTXLE-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001521119827 1266085077 /nfs/dbraw/zinc/08/50/77/1266085077.db2.gz QSROKOBGSOTXLE-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001521119827 1266085082 /nfs/dbraw/zinc/08/50/82/1266085082.db2.gz QSROKOBGSOTXLE-HOTGVXAUSA-N 2 2 352.479 0.561 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082795914 1257057126 /nfs/dbraw/zinc/05/71/26/1257057126.db2.gz KSYOIUOYTCAALF-GZBFAFLISA-N 2 2 361.446 0.174 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001082795914 1257057133 /nfs/dbraw/zinc/05/71/33/1257057133.db2.gz KSYOIUOYTCAALF-GZBFAFLISA-N 2 2 361.446 0.174 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001082796848 1257058186 /nfs/dbraw/zinc/05/81/86/1257058186.db2.gz PIFYSBFMNTWQFM-JJRVBVJISA-N 2 2 357.458 0.924 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001082796848 1257058196 /nfs/dbraw/zinc/05/81/96/1257058196.db2.gz PIFYSBFMNTWQFM-JJRVBVJISA-N 2 2 357.458 0.924 20 0 FCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120022 1266087305 /nfs/dbraw/zinc/08/73/05/1266087305.db2.gz UAPJBNBPUUIPOC-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120022 1266087316 /nfs/dbraw/zinc/08/73/16/1266087316.db2.gz UAPJBNBPUUIPOC-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120022 1266087334 /nfs/dbraw/zinc/08/73/34/1266087334.db2.gz UAPJBNBPUUIPOC-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120022 1266087344 /nfs/dbraw/zinc/08/73/44/1266087344.db2.gz UAPJBNBPUUIPOC-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082838707 1257094375 /nfs/dbraw/zinc/09/43/75/1257094375.db2.gz LYMKBIOQLZTGSF-RHSMWYFYSA-N 2 2 366.429 0.609 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001082861866 1257113691 /nfs/dbraw/zinc/11/36/91/1257113691.db2.gz QZBWFTCSQBIZDC-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001082861866 1257113694 /nfs/dbraw/zinc/11/36/94/1257113694.db2.gz QZBWFTCSQBIZDC-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001082892615 1257129008 /nfs/dbraw/zinc/12/90/08/1257129008.db2.gz KVECLIFBHAATIU-CZUORRHYSA-N 2 2 358.446 0.788 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001082922727 1257147108 /nfs/dbraw/zinc/14/71/08/1257147108.db2.gz YJTIMVLYWCASRY-YRGRVCCFSA-N 2 2 362.434 0.919 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)nc1 ZINC001082923522 1257148092 /nfs/dbraw/zinc/14/80/92/1257148092.db2.gz NHAWLDDKBXTUDK-IXDOHACOSA-N 2 2 361.490 0.690 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083024619 1257213772 /nfs/dbraw/zinc/21/37/72/1257213772.db2.gz USABZWHCBAJPKQ-FGTMMUONSA-N 2 2 361.490 0.451 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083024619 1257213774 /nfs/dbraw/zinc/21/37/74/1257213774.db2.gz USABZWHCBAJPKQ-FGTMMUONSA-N 2 2 361.490 0.451 20 0 FCADLP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)cn1 ZINC001083024619 1257213781 /nfs/dbraw/zinc/21/37/81/1257213781.db2.gz USABZWHCBAJPKQ-FGTMMUONSA-N 2 2 361.490 0.451 20 0 FCADLP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)cn1 ZINC001083024619 1257213786 /nfs/dbraw/zinc/21/37/86/1257213786.db2.gz USABZWHCBAJPKQ-FGTMMUONSA-N 2 2 361.490 0.451 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)cn1 ZINC001083083848 1257284157 /nfs/dbraw/zinc/28/41/57/1257284157.db2.gz OMQWHUDGVAIBRH-OKZBNKHCSA-N 2 2 359.474 0.174 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)cn1 ZINC001083083848 1257284161 /nfs/dbraw/zinc/28/41/61/1257284161.db2.gz OMQWHUDGVAIBRH-OKZBNKHCSA-N 2 2 359.474 0.174 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001083083872 1257284672 /nfs/dbraw/zinc/28/46/72/1257284672.db2.gz POERKWKFAXCPEX-GBESFXJTSA-N 2 2 356.470 0.835 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001083083872 1257284674 /nfs/dbraw/zinc/28/46/74/1257284674.db2.gz POERKWKFAXCPEX-GBESFXJTSA-N 2 2 356.470 0.835 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001330830876 1266105818 /nfs/dbraw/zinc/10/58/18/1266105818.db2.gz HFKPOKUMNWXRPB-IAGOWNOFSA-N 2 2 358.486 0.960 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083645212 1257464243 /nfs/dbraw/zinc/46/42/43/1257464243.db2.gz PVUNUIWXRRDJGG-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083645212 1257464249 /nfs/dbraw/zinc/46/42/49/1257464249.db2.gz PVUNUIWXRRDJGG-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083733660 1257472750 /nfs/dbraw/zinc/47/27/50/1257472750.db2.gz YDFXCACKXYAHJR-XHSDSOJGSA-N 2 2 365.474 0.931 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083733660 1257472753 /nfs/dbraw/zinc/47/27/53/1257472753.db2.gz YDFXCACKXYAHJR-XHSDSOJGSA-N 2 2 365.474 0.931 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083780712 1257524443 /nfs/dbraw/zinc/52/44/43/1257524443.db2.gz HSYYWJJZQZRWBC-IMJJTQAJSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083780712 1257524445 /nfs/dbraw/zinc/52/44/45/1257524445.db2.gz HSYYWJJZQZRWBC-IMJJTQAJSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083780712 1257524452 /nfs/dbraw/zinc/52/44/52/1257524452.db2.gz HSYYWJJZQZRWBC-IMJJTQAJSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083780712 1257524457 /nfs/dbraw/zinc/52/44/57/1257524457.db2.gz HSYYWJJZQZRWBC-IMJJTQAJSA-N 2 2 364.490 0.939 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781725 1257526343 /nfs/dbraw/zinc/52/63/43/1257526343.db2.gz STOKYDZIZPKZFL-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781725 1257526345 /nfs/dbraw/zinc/52/63/45/1257526345.db2.gz STOKYDZIZPKZFL-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781725 1257526348 /nfs/dbraw/zinc/52/63/48/1257526348.db2.gz STOKYDZIZPKZFL-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)C1 ZINC001083781725 1257526350 /nfs/dbraw/zinc/52/63/50/1257526350.db2.gz STOKYDZIZPKZFL-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781566 1257526530 /nfs/dbraw/zinc/52/65/30/1257526530.db2.gz MVPLYTKPWYFQME-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781566 1257526531 /nfs/dbraw/zinc/52/65/31/1257526531.db2.gz MVPLYTKPWYFQME-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781566 1257526535 /nfs/dbraw/zinc/52/65/35/1257526535.db2.gz MVPLYTKPWYFQME-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781566 1257526537 /nfs/dbraw/zinc/52/65/37/1257526537.db2.gz MVPLYTKPWYFQME-GJYPPUQNSA-N 2 2 364.465 0.955 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083789639 1257541433 /nfs/dbraw/zinc/54/14/33/1257541433.db2.gz NIFHJRPMHLJVNM-MTNOOBJLSA-N 2 2 370.453 0.377 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083789639 1257541436 /nfs/dbraw/zinc/54/14/36/1257541436.db2.gz NIFHJRPMHLJVNM-MTNOOBJLSA-N 2 2 370.453 0.377 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)ccn1 ZINC001083833368 1257587780 /nfs/dbraw/zinc/58/77/80/1257587780.db2.gz XGJHLPZCSPAMJQ-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)ccn1 ZINC001083833368 1257587786 /nfs/dbraw/zinc/58/77/86/1257587786.db2.gz XGJHLPZCSPAMJQ-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915447 1257698181 /nfs/dbraw/zinc/69/81/81/1257698181.db2.gz RRAWZVGMRFAWBB-QGTPRVQTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915447 1257698184 /nfs/dbraw/zinc/69/81/84/1257698184.db2.gz RRAWZVGMRFAWBB-QGTPRVQTSA-N 2 2 371.441 0.469 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001083952289 1257740007 /nfs/dbraw/zinc/74/00/07/1257740007.db2.gz FYAVSDISZJPLKX-OIISXLGYSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001083952289 1257740013 /nfs/dbraw/zinc/74/00/13/1257740013.db2.gz FYAVSDISZJPLKX-OIISXLGYSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1F ZINC001083952289 1257740021 /nfs/dbraw/zinc/74/00/21/1257740021.db2.gz FYAVSDISZJPLKX-OIISXLGYSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1F ZINC001083952289 1257740025 /nfs/dbraw/zinc/74/00/25/1257740025.db2.gz FYAVSDISZJPLKX-OIISXLGYSA-N 2 2 365.449 0.837 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001084059419 1257875984 /nfs/dbraw/zinc/87/59/84/1257875984.db2.gz IGVQGUUTJFLNAI-MSOLQXFVSA-N 2 2 356.426 0.583 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001084059419 1257875992 /nfs/dbraw/zinc/87/59/92/1257875992.db2.gz IGVQGUUTJFLNAI-MSOLQXFVSA-N 2 2 356.426 0.583 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001084059982 1257876262 /nfs/dbraw/zinc/87/62/62/1257876262.db2.gz AGZFLTLFFUCHGK-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001084059982 1257876275 /nfs/dbraw/zinc/87/62/75/1257876275.db2.gz AGZFLTLFFUCHGK-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001084059744 1257877718 /nfs/dbraw/zinc/87/77/18/1257877718.db2.gz WXGZCMAFRRYIFM-SQNIBIBYSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1)c1ccccc1 ZINC001084059744 1257877728 /nfs/dbraw/zinc/87/77/28/1257877728.db2.gz WXGZCMAFRRYIFM-SQNIBIBYSA-N 2 2 358.442 0.741 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@@H]1O ZINC001084060224 1257880214 /nfs/dbraw/zinc/88/02/14/1257880214.db2.gz NPEMTQJSUYZFLB-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@@H]1O ZINC001084060224 1257880226 /nfs/dbraw/zinc/88/02/26/1257880226.db2.gz NPEMTQJSUYZFLB-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078099 1257904598 /nfs/dbraw/zinc/90/45/98/1257904598.db2.gz NBYHYTJPUUOKBZ-QYZOEREBSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078099 1257904605 /nfs/dbraw/zinc/90/46/05/1257904605.db2.gz NBYHYTJPUUOKBZ-QYZOEREBSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078099 1257904608 /nfs/dbraw/zinc/90/46/08/1257904608.db2.gz NBYHYTJPUUOKBZ-QYZOEREBSA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078099 1257904613 /nfs/dbraw/zinc/90/46/13/1257904613.db2.gz NBYHYTJPUUOKBZ-QYZOEREBSA-N 2 2 361.486 0.631 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077975 1257905172 /nfs/dbraw/zinc/90/51/72/1257905172.db2.gz IVKIYLHWJRURQZ-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077975 1257905175 /nfs/dbraw/zinc/90/51/75/1257905175.db2.gz IVKIYLHWJRURQZ-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077975 1257905179 /nfs/dbraw/zinc/90/51/79/1257905179.db2.gz IVKIYLHWJRURQZ-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)C1 ZINC001084077975 1257905182 /nfs/dbraw/zinc/90/51/82/1257905182.db2.gz IVKIYLHWJRURQZ-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115296 1257933600 /nfs/dbraw/zinc/93/36/00/1257933600.db2.gz GFHVHXOZNRAQBX-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115296 1257933608 /nfs/dbraw/zinc/93/36/08/1257933608.db2.gz GFHVHXOZNRAQBX-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084312567 1258016056 /nfs/dbraw/zinc/01/60/56/1258016056.db2.gz WLLKDMYGENPPKN-HZPDHXFCSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084312567 1258016063 /nfs/dbraw/zinc/01/60/63/1258016063.db2.gz WLLKDMYGENPPKN-HZPDHXFCSA-N 2 2 359.474 0.888 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355021 1258046240 /nfs/dbraw/zinc/04/62/40/1258046240.db2.gz AMULYQKIYGBOSJ-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355021 1258046245 /nfs/dbraw/zinc/04/62/45/1258046245.db2.gz AMULYQKIYGBOSJ-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355021 1258046251 /nfs/dbraw/zinc/04/62/51/1258046251.db2.gz AMULYQKIYGBOSJ-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1cncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355021 1258046255 /nfs/dbraw/zinc/04/62/55/1258046255.db2.gz AMULYQKIYGBOSJ-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084406454 1258086408 /nfs/dbraw/zinc/08/64/08/1258086408.db2.gz PLFXMLWZGJPMLX-BZUAXINKSA-N 2 2 355.446 0.585 20 0 FCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084406454 1258086413 /nfs/dbraw/zinc/08/64/13/1258086413.db2.gz PLFXMLWZGJPMLX-BZUAXINKSA-N 2 2 355.446 0.585 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084524618 1258150533 /nfs/dbraw/zinc/15/05/33/1258150533.db2.gz CGEJPHKSWWBJFK-ZTFGCOKTSA-N 2 2 371.485 0.573 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084524618 1258150537 /nfs/dbraw/zinc/15/05/37/1258150537.db2.gz CGEJPHKSWWBJFK-ZTFGCOKTSA-N 2 2 371.485 0.573 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084560889 1258170768 /nfs/dbraw/zinc/17/07/68/1258170768.db2.gz IBIHLIOEXDXGCD-OWCLPIDISA-N 2 2 355.446 0.585 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084560889 1258170771 /nfs/dbraw/zinc/17/07/71/1258170771.db2.gz IBIHLIOEXDXGCD-OWCLPIDISA-N 2 2 355.446 0.585 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCCC4)C[C@H]32)CC1 ZINC001084629287 1258209882 /nfs/dbraw/zinc/20/98/82/1258209882.db2.gz OSMAXVQTILAQIA-SJLPKXTDSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)CC1 ZINC001084629287 1258209886 /nfs/dbraw/zinc/20/98/86/1258209886.db2.gz OSMAXVQTILAQIA-SJLPKXTDSA-N 2 2 362.518 0.920 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084653695 1258216789 /nfs/dbraw/zinc/21/67/89/1258216789.db2.gz RTODTKNCJVCTBC-IIAWOOMASA-N 2 2 355.446 0.654 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084653695 1258216799 /nfs/dbraw/zinc/21/67/99/1258216799.db2.gz RTODTKNCJVCTBC-IIAWOOMASA-N 2 2 355.446 0.654 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662940 1258224936 /nfs/dbraw/zinc/22/49/36/1258224936.db2.gz FEMGZJSOCHAEMB-SPYBWZPUSA-N 2 2 368.497 0.820 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662940 1258224939 /nfs/dbraw/zinc/22/49/39/1258224939.db2.gz FEMGZJSOCHAEMB-SPYBWZPUSA-N 2 2 368.497 0.820 20 0 FCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662940 1258224946 /nfs/dbraw/zinc/22/49/46/1258224946.db2.gz FEMGZJSOCHAEMB-SPYBWZPUSA-N 2 2 368.497 0.820 20 0 FCADLP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662940 1258224949 /nfs/dbraw/zinc/22/49/49/1258224949.db2.gz FEMGZJSOCHAEMB-SPYBWZPUSA-N 2 2 368.497 0.820 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001084694430 1258248187 /nfs/dbraw/zinc/24/81/87/1258248187.db2.gz CVMQMRFNFYWYSZ-OWCLPIDISA-N 2 2 359.474 0.770 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001084694430 1258248191 /nfs/dbraw/zinc/24/81/91/1258248191.db2.gz CVMQMRFNFYWYSZ-OWCLPIDISA-N 2 2 359.474 0.770 20 0 FCADLP CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001084774919 1258316778 /nfs/dbraw/zinc/31/67/78/1258316778.db2.gz KJDUIYVOMBXLEG-SJLPKXTDSA-N 2 2 356.474 0.954 20 0 FCADLP CCn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001084774919 1258316786 /nfs/dbraw/zinc/31/67/86/1258316786.db2.gz KJDUIYVOMBXLEG-SJLPKXTDSA-N 2 2 356.474 0.954 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001084779499 1258322496 /nfs/dbraw/zinc/32/24/96/1258322496.db2.gz LVWHUAJRAOZCCU-RDTXWAMCSA-N 2 2 371.485 0.915 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001084779499 1258322504 /nfs/dbraw/zinc/32/25/04/1258322504.db2.gz LVWHUAJRAOZCCU-RDTXWAMCSA-N 2 2 371.485 0.915 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(COC)no3)[C@H]2C1)[NH+](C)C ZINC001084970803 1258483138 /nfs/dbraw/zinc/48/31/38/1258483138.db2.gz VVUGSDXUKXADRH-KFWWJZLASA-N 2 2 365.478 0.979 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(COC)no3)[C@H]2C1)[NH+](C)C ZINC001084970803 1258483139 /nfs/dbraw/zinc/48/31/39/1258483139.db2.gz VVUGSDXUKXADRH-KFWWJZLASA-N 2 2 365.478 0.979 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21)N1CCC1 ZINC001084974569 1258485986 /nfs/dbraw/zinc/48/59/86/1258485986.db2.gz IIPXDHLDINBGEW-NUJGCVRESA-N 2 2 371.485 0.601 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21)N1CCC1 ZINC001084974569 1258485992 /nfs/dbraw/zinc/48/59/92/1258485992.db2.gz IIPXDHLDINBGEW-NUJGCVRESA-N 2 2 371.485 0.601 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001085075812 1258572140 /nfs/dbraw/zinc/57/21/40/1258572140.db2.gz MLAHYTDIBFJXLA-CABCVRRESA-N 2 2 359.474 0.842 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001085075812 1258572141 /nfs/dbraw/zinc/57/21/41/1258572141.db2.gz MLAHYTDIBFJXLA-CABCVRRESA-N 2 2 359.474 0.842 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001085085728 1258578949 /nfs/dbraw/zinc/57/89/49/1258578949.db2.gz SSWWQYDYRKFYMA-WBVHZDCISA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001085085728 1258578955 /nfs/dbraw/zinc/57/89/55/1258578955.db2.gz SSWWQYDYRKFYMA-WBVHZDCISA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001085085710 1258579132 /nfs/dbraw/zinc/57/91/32/1258579132.db2.gz QVCSJPWBEMEUSW-PBHICJAKSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001085085710 1258579138 /nfs/dbraw/zinc/57/91/38/1258579138.db2.gz QVCSJPWBEMEUSW-PBHICJAKSA-N 2 2 359.474 0.554 20 0 FCADLP CC(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085158963 1258612168 /nfs/dbraw/zinc/61/21/68/1258612168.db2.gz CKFFANBMEJNNMX-RBSFLKMASA-N 2 2 365.482 0.102 20 0 FCADLP CC(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085158963 1258612176 /nfs/dbraw/zinc/61/21/76/1258612176.db2.gz CKFFANBMEJNNMX-RBSFLKMASA-N 2 2 365.482 0.102 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)on1 ZINC001088170803 1258691345 /nfs/dbraw/zinc/69/13/45/1258691345.db2.gz HXMWSLZDLGNAAB-KGLIPLIRSA-N 2 2 359.430 0.940 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)on1 ZINC001088170803 1258691353 /nfs/dbraw/zinc/69/13/53/1258691353.db2.gz HXMWSLZDLGNAAB-KGLIPLIRSA-N 2 2 359.430 0.940 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171834 1258693340 /nfs/dbraw/zinc/69/33/40/1258693340.db2.gz JGCAUJBRHJXTAZ-CVEARBPZSA-N 2 2 358.490 0.674 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171834 1258693349 /nfs/dbraw/zinc/69/33/49/1258693349.db2.gz JGCAUJBRHJXTAZ-CVEARBPZSA-N 2 2 358.490 0.674 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207885 1258730360 /nfs/dbraw/zinc/73/03/60/1258730360.db2.gz ALSNUHSEANRFKE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207885 1258730363 /nfs/dbraw/zinc/73/03/63/1258730363.db2.gz ALSNUHSEANRFKE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207885 1258730365 /nfs/dbraw/zinc/73/03/65/1258730365.db2.gz ALSNUHSEANRFKE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207885 1258730368 /nfs/dbraw/zinc/73/03/68/1258730368.db2.gz ALSNUHSEANRFKE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001089959373 1258766898 /nfs/dbraw/zinc/76/68/98/1258766898.db2.gz ILEUZROFZBAWRW-BZUAXINKSA-N 2 2 362.474 0.503 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[N@@H+](CCO)CC2(CCOCC2)C1 ZINC001089959373 1258766903 /nfs/dbraw/zinc/76/69/03/1258766903.db2.gz ILEUZROFZBAWRW-BZUAXINKSA-N 2 2 362.474 0.503 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734833 1258822742 /nfs/dbraw/zinc/82/27/42/1258822742.db2.gz KARVYGYSVNBWAR-KFWWJZLASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734833 1258822747 /nfs/dbraw/zinc/82/27/47/1258822747.db2.gz KARVYGYSVNBWAR-KFWWJZLASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734833 1258822749 /nfs/dbraw/zinc/82/27/49/1258822749.db2.gz KARVYGYSVNBWAR-KFWWJZLASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734833 1258822759 /nfs/dbraw/zinc/82/27/59/1258822759.db2.gz KARVYGYSVNBWAR-KFWWJZLASA-N 2 2 363.462 0.782 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092748795 1258827955 /nfs/dbraw/zinc/82/79/55/1258827955.db2.gz MAYDZOFBPTVQGK-FVQBIDKESA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001092748795 1258827961 /nfs/dbraw/zinc/82/79/61/1258827961.db2.gz MAYDZOFBPTVQGK-FVQBIDKESA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092748795 1258827964 /nfs/dbraw/zinc/82/79/64/1258827964.db2.gz MAYDZOFBPTVQGK-FVQBIDKESA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001092748795 1258827970 /nfs/dbraw/zinc/82/79/70/1258827970.db2.gz MAYDZOFBPTVQGK-FVQBIDKESA-N 2 2 371.489 0.799 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001092758408 1258828939 /nfs/dbraw/zinc/82/89/39/1258828939.db2.gz UXISODUAQXLOOS-BZUAXINKSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001092758408 1258828950 /nfs/dbraw/zinc/82/89/50/1258828950.db2.gz UXISODUAQXLOOS-BZUAXINKSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001092758408 1258828960 /nfs/dbraw/zinc/82/89/60/1258828960.db2.gz UXISODUAQXLOOS-BZUAXINKSA-N 2 2 363.510 0.515 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001092758408 1258828969 /nfs/dbraw/zinc/82/89/69/1258828969.db2.gz UXISODUAQXLOOS-BZUAXINKSA-N 2 2 363.510 0.515 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104362978 1258915909 /nfs/dbraw/zinc/91/59/09/1258915909.db2.gz SUICWZQDKILPEH-BRWVUGGUSA-N 2 2 371.489 0.811 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001331472275 1266221548 /nfs/dbraw/zinc/22/15/48/1266221548.db2.gz AIAIAQVHPFIQFZ-ROUUACIJSA-N 2 2 374.485 0.521 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106748418 1258953197 /nfs/dbraw/zinc/95/31/97/1258953197.db2.gz ZUJIRZAWXNYVEN-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106748418 1258953203 /nfs/dbraw/zinc/95/32/03/1258953203.db2.gz ZUJIRZAWXNYVEN-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106747934 1258953284 /nfs/dbraw/zinc/95/32/84/1258953284.db2.gz AEATZINPABEXMP-RBSFLKMASA-N 2 2 362.478 0.298 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106747934 1258953286 /nfs/dbraw/zinc/95/32/86/1258953286.db2.gz AEATZINPABEXMP-RBSFLKMASA-N 2 2 362.478 0.298 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106747935 1258953327 /nfs/dbraw/zinc/95/33/27/1258953327.db2.gz AEATZINPABEXMP-RRFJBIMHSA-N 2 2 362.478 0.298 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C)C1 ZINC001106747935 1258953329 /nfs/dbraw/zinc/95/33/29/1258953329.db2.gz AEATZINPABEXMP-RRFJBIMHSA-N 2 2 362.478 0.298 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N[C@H](C)C2CC2)[C@H](C)C1 ZINC001106922387 1258996158 /nfs/dbraw/zinc/99/61/58/1258996158.db2.gz AVYSMGHPMWUBRD-XJKCOSOUSA-N 2 2 361.490 0.859 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001107045171 1259024156 /nfs/dbraw/zinc/02/41/56/1259024156.db2.gz ZDRUKQIOZBHYPT-NXHRZFHOSA-N 2 2 371.489 0.660 20 0 FCADLP CCCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001107181443 1259035896 /nfs/dbraw/zinc/03/58/96/1259035896.db2.gz AWIGXRLXMYAZRS-RHSMWYFYSA-N 2 2 364.494 0.660 20 0 FCADLP CCCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001107181443 1259035907 /nfs/dbraw/zinc/03/59/07/1259035907.db2.gz AWIGXRLXMYAZRS-RHSMWYFYSA-N 2 2 364.494 0.660 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2 ZINC001107609971 1259133973 /nfs/dbraw/zinc/13/39/73/1259133973.db2.gz JOXDPNQJNFSCPI-SJLPKXTDSA-N 2 2 357.462 0.652 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107609971 1259133979 /nfs/dbraw/zinc/13/39/79/1259133979.db2.gz JOXDPNQJNFSCPI-SJLPKXTDSA-N 2 2 357.462 0.652 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCOCCOC)CCO2)CC[N@@H+]1C ZINC001107953173 1259148075 /nfs/dbraw/zinc/14/80/75/1259148075.db2.gz TZVFXTQTRMUPGH-SCTDSRPQSA-N 2 2 371.522 0.587 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCOCCOC)CCO2)CC[N@H+]1C ZINC001107953173 1259148078 /nfs/dbraw/zinc/14/80/78/1259148078.db2.gz TZVFXTQTRMUPGH-SCTDSRPQSA-N 2 2 371.522 0.587 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCOCCOC)CCO2)CC[NH+]1C ZINC001107953173 1259148081 /nfs/dbraw/zinc/14/80/81/1259148081.db2.gz TZVFXTQTRMUPGH-SCTDSRPQSA-N 2 2 371.522 0.587 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCOCCOC)CCO2)CC[NH+]1C ZINC001107953173 1259148083 /nfs/dbraw/zinc/14/80/83/1259148083.db2.gz TZVFXTQTRMUPGH-SCTDSRPQSA-N 2 2 371.522 0.587 20 0 FCADLP CC(C)OCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023942 1259150720 /nfs/dbraw/zinc/15/07/20/1259150720.db2.gz GOFUUIYGRSFOMA-LMMKCTJWSA-N 2 2 371.522 0.728 20 0 FCADLP CC(C)OCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023942 1259150724 /nfs/dbraw/zinc/15/07/24/1259150724.db2.gz GOFUUIYGRSFOMA-LMMKCTJWSA-N 2 2 371.522 0.728 20 0 FCADLP CC(C)OCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108023942 1259150729 /nfs/dbraw/zinc/15/07/29/1259150729.db2.gz GOFUUIYGRSFOMA-LMMKCTJWSA-N 2 2 371.522 0.728 20 0 FCADLP CC(C)OCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108023942 1259150731 /nfs/dbraw/zinc/15/07/31/1259150731.db2.gz GOFUUIYGRSFOMA-LMMKCTJWSA-N 2 2 371.522 0.728 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001127547105 1259178910 /nfs/dbraw/zinc/17/89/10/1259178910.db2.gz ASSRTNOUXNNXBF-OAGGEKHMSA-N 2 2 359.474 0.481 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829873 1259242864 /nfs/dbraw/zinc/24/28/64/1259242864.db2.gz JRJRMPWDOAQOOG-ZACQAIPSSA-N 2 2 362.478 0.140 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829873 1259242866 /nfs/dbraw/zinc/24/28/66/1259242866.db2.gz JRJRMPWDOAQOOG-ZACQAIPSSA-N 2 2 362.478 0.140 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829873 1259242871 /nfs/dbraw/zinc/24/28/71/1259242871.db2.gz JRJRMPWDOAQOOG-ZACQAIPSSA-N 2 2 362.478 0.140 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001128829873 1259242874 /nfs/dbraw/zinc/24/28/74/1259242874.db2.gz JRJRMPWDOAQOOG-ZACQAIPSSA-N 2 2 362.478 0.140 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CCC1 ZINC001129043141 1259297923 /nfs/dbraw/zinc/29/79/23/1259297923.db2.gz JEERSZCIZRJJJQ-SJORKVTESA-N 2 2 369.473 0.699 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CCC1 ZINC001129043141 1259297931 /nfs/dbraw/zinc/29/79/31/1259297931.db2.gz JEERSZCIZRJJJQ-SJORKVTESA-N 2 2 369.473 0.699 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065541 1259304132 /nfs/dbraw/zinc/30/41/32/1259304132.db2.gz YDDWUJFCDRKQLL-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065541 1259304139 /nfs/dbraw/zinc/30/41/39/1259304139.db2.gz YDDWUJFCDRKQLL-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001129093471 1259310820 /nfs/dbraw/zinc/31/08/20/1259310820.db2.gz HNOGEVXEYKULRE-SJORKVTESA-N 2 2 369.429 0.618 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129228575 1259350510 /nfs/dbraw/zinc/35/05/10/1259350510.db2.gz YOAXPAVVMRQPOC-SJORKVTESA-N 2 2 357.462 0.475 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129228575 1259350515 /nfs/dbraw/zinc/35/05/15/1259350515.db2.gz YOAXPAVVMRQPOC-SJORKVTESA-N 2 2 357.462 0.475 20 0 FCADLP COC(=O)[C@H]1CCCN(c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)nn2)C1 ZINC001168737290 1259391181 /nfs/dbraw/zinc/39/11/81/1259391181.db2.gz YUGYJSODFBNZKY-ZDUSSCGKSA-N 2 2 361.450 0.460 20 0 FCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)[NH+](C)C ZINC001180864278 1259397332 /nfs/dbraw/zinc/39/73/32/1259397332.db2.gz OBMGBOFJQKZFTR-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC001180864278 1259397342 /nfs/dbraw/zinc/39/73/42/1259397342.db2.gz OBMGBOFJQKZFTR-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)ccn1 ZINC001199023334 1259412826 /nfs/dbraw/zinc/41/28/26/1259412826.db2.gz FRMYBMWXPOWBPN-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)ccn1 ZINC001199023334 1259412833 /nfs/dbraw/zinc/41/28/33/1259412833.db2.gz FRMYBMWXPOWBPN-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279799 1259452340 /nfs/dbraw/zinc/45/23/40/1259452340.db2.gz VORHIGBHQHBKBR-BZUAXINKSA-N 2 2 362.430 0.079 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279799 1259452342 /nfs/dbraw/zinc/45/23/42/1259452342.db2.gz VORHIGBHQHBKBR-BZUAXINKSA-N 2 2 362.430 0.079 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001212314843 1259463113 /nfs/dbraw/zinc/46/31/13/1259463113.db2.gz KYFAPIMGRIZBHY-INIZCTEOSA-N 2 2 372.473 0.996 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367930 1259476994 /nfs/dbraw/zinc/47/69/94/1259476994.db2.gz AXRARGYJNAZHEJ-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367930 1259476998 /nfs/dbraw/zinc/47/69/98/1259476998.db2.gz AXRARGYJNAZHEJ-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367930 1259477002 /nfs/dbraw/zinc/47/70/02/1259477002.db2.gz AXRARGYJNAZHEJ-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212367930 1259477007 /nfs/dbraw/zinc/47/70/07/1259477007.db2.gz AXRARGYJNAZHEJ-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001212401072 1259489511 /nfs/dbraw/zinc/48/95/11/1259489511.db2.gz DJQNYMQLCXEUJH-BRWVUGGUSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001212401072 1259489516 /nfs/dbraw/zinc/48/95/16/1259489516.db2.gz DJQNYMQLCXEUJH-BRWVUGGUSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001212401072 1259489524 /nfs/dbraw/zinc/48/95/24/1259489524.db2.gz DJQNYMQLCXEUJH-BRWVUGGUSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001212401072 1259489530 /nfs/dbraw/zinc/48/95/30/1259489530.db2.gz DJQNYMQLCXEUJH-BRWVUGGUSA-N 2 2 368.522 0.304 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)ccn1 ZINC001212403442 1259489805 /nfs/dbraw/zinc/48/98/05/1259489805.db2.gz KKSBVFSTGCLXKE-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)ccn1 ZINC001212403442 1259489808 /nfs/dbraw/zinc/48/98/08/1259489808.db2.gz KKSBVFSTGCLXKE-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406232 1259492105 /nfs/dbraw/zinc/49/21/05/1259492105.db2.gz MEHWNFUYDJWUGV-BRWVUGGUSA-N 2 2 367.494 0.055 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406232 1259492115 /nfs/dbraw/zinc/49/21/15/1259492115.db2.gz MEHWNFUYDJWUGV-BRWVUGGUSA-N 2 2 367.494 0.055 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403612 1259492508 /nfs/dbraw/zinc/49/25/08/1259492508.db2.gz OKJALFHUYRPMPR-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403612 1259492511 /nfs/dbraw/zinc/49/25/11/1259492511.db2.gz OKJALFHUYRPMPR-HUUCEWRRSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410561 1259495057 /nfs/dbraw/zinc/49/50/57/1259495057.db2.gz SSZMIHSUKWQXLS-NUJGCVRESA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410561 1259495060 /nfs/dbraw/zinc/49/50/60/1259495060.db2.gz SSZMIHSUKWQXLS-NUJGCVRESA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410558 1259495693 /nfs/dbraw/zinc/49/56/93/1259495693.db2.gz SSZMIHSUKWQXLS-JFIYKMOQSA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410558 1259495696 /nfs/dbraw/zinc/49/56/96/1259495696.db2.gz SSZMIHSUKWQXLS-JFIYKMOQSA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414114 1259495941 /nfs/dbraw/zinc/49/59/41/1259495941.db2.gz DOFFOOKRZTVIGB-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414114 1259495946 /nfs/dbraw/zinc/49/59/46/1259495946.db2.gz DOFFOOKRZTVIGB-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414114 1259495949 /nfs/dbraw/zinc/49/59/49/1259495949.db2.gz DOFFOOKRZTVIGB-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414114 1259495952 /nfs/dbraw/zinc/49/59/52/1259495952.db2.gz DOFFOOKRZTVIGB-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419276 1259499471 /nfs/dbraw/zinc/49/94/71/1259499471.db2.gz YHIIEBISUMCSOE-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212419276 1259499474 /nfs/dbraw/zinc/49/94/74/1259499474.db2.gz YHIIEBISUMCSOE-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419276 1259499478 /nfs/dbraw/zinc/49/94/78/1259499478.db2.gz YHIIEBISUMCSOE-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212419276 1259499481 /nfs/dbraw/zinc/49/94/81/1259499481.db2.gz YHIIEBISUMCSOE-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1OC)[NH+](C)C ZINC001212460734 1259514858 /nfs/dbraw/zinc/51/48/58/1259514858.db2.gz LCSAHEDNKCGQPC-BZUAXINKSA-N 2 2 365.478 0.449 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1OC)[NH+](C)C ZINC001212460734 1259514863 /nfs/dbraw/zinc/51/48/63/1259514863.db2.gz LCSAHEDNKCGQPC-BZUAXINKSA-N 2 2 365.478 0.449 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495347 1259525566 /nfs/dbraw/zinc/52/55/66/1259525566.db2.gz COGYITDCWIVCAE-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495347 1259525570 /nfs/dbraw/zinc/52/55/70/1259525570.db2.gz COGYITDCWIVCAE-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495347 1259525574 /nfs/dbraw/zinc/52/55/74/1259525574.db2.gz COGYITDCWIVCAE-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495347 1259525577 /nfs/dbraw/zinc/52/55/77/1259525577.db2.gz COGYITDCWIVCAE-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001227867366 1259540954 /nfs/dbraw/zinc/54/09/54/1259540954.db2.gz FGIWAMHEXOAWOS-HZPDHXFCSA-N 2 2 363.462 0.247 20 0 FCADLP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001227867366 1259540956 /nfs/dbraw/zinc/54/09/56/1259540956.db2.gz FGIWAMHEXOAWOS-HZPDHXFCSA-N 2 2 363.462 0.247 20 0 FCADLP C[NH+]1CCN(c2cc(-c3cnc(N4CC[NH+](C)CC4)nc3)ncn2)CC1 ZINC001235915711 1259585303 /nfs/dbraw/zinc/58/53/03/1259585303.db2.gz ZWHQTLGREKQGIL-UHFFFAOYSA-N 2 2 354.462 0.437 20 0 FCADLP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1-n1cc[nH+]c1 ZINC001236312332 1259589023 /nfs/dbraw/zinc/58/90/23/1259589023.db2.gz QHYXNXQTTJTMBP-UHFFFAOYSA-N 3 2 374.489 0.497 20 0 FCADLP CN(C)C(=O)CN1CC[NH+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236897686 1259592211 /nfs/dbraw/zinc/59/22/11/1259592211.db2.gz GDKGLZBYHIRVRO-UHFFFAOYSA-N 2 2 359.518 0.644 20 0 FCADLP CC(C)(CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001335328777 1259607914 /nfs/dbraw/zinc/60/79/14/1259607914.db2.gz VZOQRBKBVNSTES-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP COC(=O)[C@H]([NH3+])C1CC[NH+](C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC1 ZINC001246049976 1259645608 /nfs/dbraw/zinc/64/56/08/1259645608.db2.gz UJADGHZKKKVLMR-GVDBMIGSSA-N 3 2 371.428 0.408 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1C(=O)OC ZINC001246140244 1259648872 /nfs/dbraw/zinc/64/88/72/1259648872.db2.gz GJVKDSGVCMGRHY-KLHDSHLOSA-N 3 2 367.490 0.581 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N[C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[NH2+]1 ZINC001246192905 1259649961 /nfs/dbraw/zinc/64/99/61/1259649961.db2.gz ZYQFKJNNKVOSQW-ULQDDVLXSA-N 2 2 363.458 0.721 20 0 FCADLP COCCOc1ccccc1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335407810 1259649897 /nfs/dbraw/zinc/64/98/97/1259649897.db2.gz KJRGVCJPJNZLRO-UHFFFAOYSA-N 2 2 350.463 0.934 20 0 FCADLP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+]([C@H]1CCC[NH2+]C1)CCC2 ZINC001246697453 1259663050 /nfs/dbraw/zinc/66/30/50/1259663050.db2.gz AOMWQTRHYYFJDZ-ZWOKBUDYSA-N 2 2 372.517 0.835 20 0 FCADLP CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+]([C@H]1CCC[NH2+]C1)CCC2 ZINC001246697453 1259663052 /nfs/dbraw/zinc/66/30/52/1259663052.db2.gz AOMWQTRHYYFJDZ-ZWOKBUDYSA-N 2 2 372.517 0.835 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](n2nc(C(=O)N3CCC[C@H]3C)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246732007 1259672496 /nfs/dbraw/zinc/67/24/96/1259672496.db2.gz ZEGBUJGWUHBRIE-BZPMIXESSA-N 2 2 361.446 0.229 20 0 FCADLP CCOC(=O)[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005755 1259697957 /nfs/dbraw/zinc/69/79/57/1259697957.db2.gz GGNSKEABLURJGA-KFWWJZLASA-N 2 2 367.490 0.533 20 0 FCADLP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]([NH3+])Cc3nn[nH]n3)n2)CC1 ZINC001247302189 1259699046 /nfs/dbraw/zinc/69/90/46/1259699046.db2.gz JFGVWFBBTUSLFQ-LBPRGKRZSA-N 2 2 355.406 0.244 20 0 FCADLP CN(C)c1ccccc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247333256 1259701367 /nfs/dbraw/zinc/70/13/67/1259701367.db2.gz KZVPDOYLLFORRB-ZDUSSCGKSA-N 2 2 355.402 0.712 20 0 FCADLP CCCC(=O)NC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC001248746727 1259715233 /nfs/dbraw/zinc/71/52/33/1259715233.db2.gz JQEZUJZULQUSRU-UHFFFAOYSA-N 2 2 365.478 0.341 20 0 FCADLP CCOC(=O)c1ccc2[nH+]ccc(NC[C@H](O)C[NH+]3CCOCC3)c2c1 ZINC001251006243 1259726686 /nfs/dbraw/zinc/72/66/86/1259726686.db2.gz JZUGISZEIWSJHC-HNNXBMFYSA-N 2 2 359.426 0.938 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001335623018 1259747534 /nfs/dbraw/zinc/74/75/34/1259747534.db2.gz UYJDVLSUPXRDMG-JKSUJKDBSA-N 2 2 354.495 0.555 20 0 FCADLP Cn1cc([C@H]2CSCCN2C(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC001335621015 1259747688 /nfs/dbraw/zinc/74/76/88/1259747688.db2.gz CHKCASBELYPXLV-OAHLLOKOSA-N 2 2 352.508 0.643 20 0 FCADLP CN(CCO)c1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC001252919720 1259811507 /nfs/dbraw/zinc/81/15/07/1259811507.db2.gz SDXAVACHMTXVCT-IBGZPJMESA-N 2 2 357.458 0.954 20 0 FCADLP CN(CCO)c1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC001252919720 1259811517 /nfs/dbraw/zinc/81/15/17/1259811517.db2.gz SDXAVACHMTXVCT-IBGZPJMESA-N 2 2 357.458 0.954 20 0 FCADLP CN(CCO)c1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC001252919720 1259811527 /nfs/dbraw/zinc/81/15/27/1259811527.db2.gz SDXAVACHMTXVCT-IBGZPJMESA-N 2 2 357.458 0.954 20 0 FCADLP CN(CCO)c1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC001252919720 1259811532 /nfs/dbraw/zinc/81/15/32/1259811532.db2.gz SDXAVACHMTXVCT-IBGZPJMESA-N 2 2 357.458 0.954 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001253186664 1259829185 /nfs/dbraw/zinc/82/91/85/1259829185.db2.gz QXCPXKXJUACFGK-FHWLQOOXSA-N 2 2 368.522 0.771 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001253186664 1259829187 /nfs/dbraw/zinc/82/91/87/1259829187.db2.gz QXCPXKXJUACFGK-FHWLQOOXSA-N 2 2 368.522 0.771 20 0 FCADLP Cc1nc(N2CC[NH+](CCO)CC2)cc(NC[C@H](O)C[NH2+]C(C)(C)C)[nH+]1 ZINC001253385255 1259837327 /nfs/dbraw/zinc/83/73/27/1259837327.db2.gz OLLVCHJLUIOLJH-HNNXBMFYSA-N 3 2 366.510 0.060 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001253390558 1259838213 /nfs/dbraw/zinc/83/82/13/1259838213.db2.gz PMJOLQKWEZRELL-BRWVUGGUSA-N 2 2 363.506 0.753 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001253390558 1259838218 /nfs/dbraw/zinc/83/82/18/1259838218.db2.gz PMJOLQKWEZRELL-BRWVUGGUSA-N 2 2 363.506 0.753 20 0 FCADLP Cc1nc(N2CC[NH+](CCO)CC2)cc(NC[C@@H](O)COC(C)(C)C)[nH+]1 ZINC001253442025 1259839897 /nfs/dbraw/zinc/83/98/97/1259839897.db2.gz GLJYTNQAAXBTQV-OAHLLOKOSA-N 2 2 367.494 0.487 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001335828970 1259860550 /nfs/dbraw/zinc/86/05/50/1259860550.db2.gz AIJRXFFEPYWKED-LSDHHAIUSA-N 2 2 364.498 0.051 20 0 FCADLP CN(C(=O)Cn1nnc(N)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001335828970 1259860554 /nfs/dbraw/zinc/86/05/54/1259860554.db2.gz AIJRXFFEPYWKED-LSDHHAIUSA-N 2 2 364.498 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC001331834702 1266292854 /nfs/dbraw/zinc/29/28/54/1266292854.db2.gz NNZMERIOSNRFSD-XHSDSOJGSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC001331834702 1266292863 /nfs/dbraw/zinc/29/28/63/1266292863.db2.gz NNZMERIOSNRFSD-XHSDSOJGSA-N 2 2 366.506 0.297 20 0 FCADLP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856192 1259897966 /nfs/dbraw/zinc/89/79/66/1259897966.db2.gz DKDRWEUBMGRWLZ-QUCCMNQESA-N 2 2 364.534 0.631 20 0 FCADLP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856192 1259897975 /nfs/dbraw/zinc/89/79/75/1259897975.db2.gz DKDRWEUBMGRWLZ-QUCCMNQESA-N 2 2 364.534 0.631 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001522012408 1266298796 /nfs/dbraw/zinc/29/87/96/1266298796.db2.gz ZBIBTZUFLMMHCR-SJLPKXTDSA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001522012408 1266298798 /nfs/dbraw/zinc/29/87/98/1266298798.db2.gz ZBIBTZUFLMMHCR-SJLPKXTDSA-N 3 2 367.538 0.103 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001261226176 1260104746 /nfs/dbraw/zinc/10/47/46/1260104746.db2.gz PKIHYNWCZIQOBT-ZOBUZTSGSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001261226176 1260104751 /nfs/dbraw/zinc/10/47/51/1260104751.db2.gz PKIHYNWCZIQOBT-ZOBUZTSGSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001262060256 1260252737 /nfs/dbraw/zinc/25/27/37/1260252737.db2.gz VMOHNBYBDSESDQ-HNNXBMFYSA-N 2 2 363.462 0.054 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001262060257 1260252823 /nfs/dbraw/zinc/25/28/23/1260252823.db2.gz VMOHNBYBDSESDQ-OAHLLOKOSA-N 2 2 363.462 0.054 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001337322602 1260368557 /nfs/dbraw/zinc/36/85/57/1260368557.db2.gz JIPNSVXYZBNYMY-KRWDZBQOSA-N 2 2 355.442 0.610 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001271682479 1260446505 /nfs/dbraw/zinc/44/65/05/1260446505.db2.gz DXAUXPJWAUWYLF-YESZJQIVSA-N 2 2 357.458 0.569 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)CC1 ZINC001272971311 1260544249 /nfs/dbraw/zinc/54/42/49/1260544249.db2.gz PJVLSIRNJWMSCG-INIZCTEOSA-N 2 2 359.474 0.791 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)CCCC[N@H+]2CC1(O)CCOCC1 ZINC001277813765 1260671505 /nfs/dbraw/zinc/67/15/05/1260671505.db2.gz SGWGANWAMWFJAM-SFHVURJKSA-N 2 2 362.474 0.882 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)CCCC[N@@H+]2CC1(O)CCOCC1 ZINC001277813765 1260671512 /nfs/dbraw/zinc/67/15/12/1260671512.db2.gz SGWGANWAMWFJAM-SFHVURJKSA-N 2 2 362.474 0.882 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@@H+](Cc3cnn[nH]3)C[C@H]2CC1 ZINC001278500993 1260701892 /nfs/dbraw/zinc/70/18/92/1260701892.db2.gz TYVXSDYMNFFTKA-JZXOWHBKSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@H+](Cc3cnn[nH]3)C[C@H]2CC1 ZINC001278500993 1260701897 /nfs/dbraw/zinc/70/18/97/1260701897.db2.gz TYVXSDYMNFFTKA-JZXOWHBKSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@@H+](Cc3c[nH]nn3)C[C@H]2CC1 ZINC001278500993 1260701901 /nfs/dbraw/zinc/70/19/01/1260701901.db2.gz TYVXSDYMNFFTKA-JZXOWHBKSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@H+](Cc3c[nH]nn3)C[C@H]2CC1 ZINC001278500993 1260701904 /nfs/dbraw/zinc/70/19/04/1260701904.db2.gz TYVXSDYMNFFTKA-JZXOWHBKSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]2CC1 ZINC001278500993 1260701907 /nfs/dbraw/zinc/70/19/07/1260701907.db2.gz TYVXSDYMNFFTKA-JZXOWHBKSA-N 2 2 358.490 0.959 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[C@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]2CC1 ZINC001278500993 1260701910 /nfs/dbraw/zinc/70/19/10/1260701910.db2.gz TYVXSDYMNFFTKA-JZXOWHBKSA-N 2 2 358.490 0.959 20 0 FCADLP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](Cc3cn4c(n3)COCC4)C2)C1 ZINC001278796843 1260733910 /nfs/dbraw/zinc/73/39/10/1260733910.db2.gz AMFQQVXASAMZHI-IBGZPJMESA-N 2 2 363.506 0.642 20 0 FCADLP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](Cc3cn4c(n3)COCC4)C2)C1 ZINC001278796843 1260733914 /nfs/dbraw/zinc/73/39/14/1260733914.db2.gz AMFQQVXASAMZHI-IBGZPJMESA-N 2 2 363.506 0.642 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(F)n2)C[C@]2(CCCC(=O)N2)C1 ZINC001279226340 1260802679 /nfs/dbraw/zinc/80/26/79/1260802679.db2.gz JMTDZGIJGVNQDV-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(F)n2)C[C@]2(CCCC(=O)N2)C1 ZINC001279226340 1260802686 /nfs/dbraw/zinc/80/26/86/1260802686.db2.gz JMTDZGIJGVNQDV-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001279427969 1260867897 /nfs/dbraw/zinc/86/78/97/1260867897.db2.gz NBIIPELXRHTZKW-UHFFFAOYSA-N 2 2 362.522 0.387 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501926 1260880975 /nfs/dbraw/zinc/88/09/75/1260880975.db2.gz LGWARDMRRDLSGK-BMFZPTHFSA-N 2 2 361.446 0.049 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501926 1260880979 /nfs/dbraw/zinc/88/09/79/1260880979.db2.gz LGWARDMRRDLSGK-BMFZPTHFSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501926 1260880984 /nfs/dbraw/zinc/88/09/84/1260880984.db2.gz LGWARDMRRDLSGK-BMFZPTHFSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501926 1260880988 /nfs/dbraw/zinc/88/09/88/1260880988.db2.gz LGWARDMRRDLSGK-BMFZPTHFSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2c[nH+]ccc2N)C[C@]2(CCCC(=O)N2)C1 ZINC001279617153 1260899860 /nfs/dbraw/zinc/89/98/60/1260899860.db2.gz RFIVAMNBODGPNR-IBGZPJMESA-N 3 2 360.506 0.212 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2c[nH+]ccc2N)C[C@]2(CCCC(=O)N2)C1 ZINC001279617153 1260899869 /nfs/dbraw/zinc/89/98/69/1260899869.db2.gz RFIVAMNBODGPNR-IBGZPJMESA-N 3 2 360.506 0.212 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CC12C[NH+](CCN1CCOCC1)C2 ZINC001279770309 1260932665 /nfs/dbraw/zinc/93/26/65/1260932665.db2.gz BRWXIXSAXWQQJU-HNNXBMFYSA-N 2 2 355.442 0.927 20 0 FCADLP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C4CC[NH+](C)CC4)CC3)[C@H]2C1 ZINC001280070923 1260989479 /nfs/dbraw/zinc/98/94/79/1260989479.db2.gz FVFOHVOOFVWFBT-ROUUACIJSA-N 3 2 363.550 0.155 20 0 FCADLP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C4CC[NH+](C)CC4)CC3)[C@H]2C1 ZINC001280070923 1260989482 /nfs/dbraw/zinc/98/94/82/1260989482.db2.gz FVFOHVOOFVWFBT-ROUUACIJSA-N 3 2 363.550 0.155 20 0 FCADLP Cc1cc(C[N@@H+]2CCC3(CN(CC(=O)N4CC[NH+](C)CC4)C3)C2)n(C)n1 ZINC001280074753 1260992256 /nfs/dbraw/zinc/99/22/56/1260992256.db2.gz SJMKRCWMQJCNTB-UHFFFAOYSA-N 2 2 360.506 0.010 20 0 FCADLP Cc1cc(C[N@H+]2CCC3(CN(CC(=O)N4CC[NH+](C)CC4)C3)C2)n(C)n1 ZINC001280074753 1260992259 /nfs/dbraw/zinc/99/22/59/1260992259.db2.gz SJMKRCWMQJCNTB-UHFFFAOYSA-N 2 2 360.506 0.010 20 0 FCADLP Cn1nccc1CNC(=O)c1[nH]nc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001280138348 1261014527 /nfs/dbraw/zinc/01/45/27/1261014527.db2.gz WUTVAJBFELKTGB-UHFFFAOYSA-N 2 2 357.462 0.431 20 0 FCADLP Cn1nccc1CNC(=O)c1[nH]nc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001280138348 1261014531 /nfs/dbraw/zinc/01/45/31/1261014531.db2.gz WUTVAJBFELKTGB-UHFFFAOYSA-N 2 2 357.462 0.431 20 0 FCADLP CC(C)(CO)C[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@]2(CCCC(=O)N2)C1 ZINC001280187044 1261024221 /nfs/dbraw/zinc/02/42/21/1261024221.db2.gz BLKTXDVGIUQFEC-LJQANCHMSA-N 2 2 363.506 0.558 20 0 FCADLP CC(C)(CO)C[N@H+]1CCN(CCn2cc[nH+]c2)C[C@]2(CCCC(=O)N2)C1 ZINC001280187044 1261024227 /nfs/dbraw/zinc/02/42/27/1261024227.db2.gz BLKTXDVGIUQFEC-LJQANCHMSA-N 2 2 363.506 0.558 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cn(CC(N)=O)nn3)cc2)C[C@H](C)O1 ZINC001473929415 1261503619 /nfs/dbraw/zinc/50/36/19/1261503619.db2.gz HGSFCXKJQFVACG-GASCZTMLSA-N 2 2 372.473 0.662 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cn(CC(N)=O)nn3)cc2)C[C@H](C)O1 ZINC001473929415 1261503622 /nfs/dbraw/zinc/50/36/22/1261503622.db2.gz HGSFCXKJQFVACG-GASCZTMLSA-N 2 2 372.473 0.662 20 0 FCADLP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284286738 1261744174 /nfs/dbraw/zinc/74/41/74/1261744174.db2.gz UTJOXEWMCBDGSS-RRFJBIMHSA-N 2 2 359.474 0.773 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001293888818 1262723629 /nfs/dbraw/zinc/72/36/29/1262723629.db2.gz PFMHZGIGIOMVAW-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001293888818 1262723630 /nfs/dbraw/zinc/72/36/30/1262723630.db2.gz PFMHZGIGIOMVAW-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001580354992 1278158153 /nfs/dbraw/zinc/15/81/53/1278158153.db2.gz RFXPKLBFRVZVMP-XJKCOSOUSA-N 2 2 370.461 0.544 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001580354992 1278158155 /nfs/dbraw/zinc/15/81/55/1278158155.db2.gz RFXPKLBFRVZVMP-XJKCOSOUSA-N 2 2 370.461 0.544 20 0 FCADLP CCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001306212878 1263180070 /nfs/dbraw/zinc/18/00/70/1263180070.db2.gz MGSSKTWOKGPZQT-HNNXBMFYSA-N 2 2 358.446 0.813 20 0 FCADLP CCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001306212878 1263180072 /nfs/dbraw/zinc/18/00/72/1263180072.db2.gz MGSSKTWOKGPZQT-HNNXBMFYSA-N 2 2 358.446 0.813 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580378152 1278190448 /nfs/dbraw/zinc/19/04/48/1278190448.db2.gz VBIMHDCMGPKVMF-OCCSQVGLSA-N 2 2 356.434 0.441 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001479673745 1263338619 /nfs/dbraw/zinc/33/86/19/1263338619.db2.gz HSQSZMFTPJEQMS-CVEARBPZSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001479673745 1263338630 /nfs/dbraw/zinc/33/86/30/1263338630.db2.gz HSQSZMFTPJEQMS-CVEARBPZSA-N 2 2 361.490 0.658 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(CC)C1=O ZINC001317544594 1263517114 /nfs/dbraw/zinc/51/71/14/1263517114.db2.gz AJBWKUKENFWHNC-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(CC)C1=O ZINC001317544594 1263517119 /nfs/dbraw/zinc/51/71/19/1263517119.db2.gz AJBWKUKENFWHNC-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3nnc4n3CCC4)CC2)CC1 ZINC001318599599 1263591329 /nfs/dbraw/zinc/59/13/29/1263591329.db2.gz TYIQKQQHPVLGMM-UHFFFAOYSA-N 2 2 361.494 0.582 20 0 FCADLP C[C@H](CCN1CC[NH+](C(C)(C)CO)CC1)N1CC[NH+](C(C)(C)CO)CC1 ZINC001319389191 1263687797 /nfs/dbraw/zinc/68/77/97/1263687797.db2.gz NILUKWKPDVFDFN-GOSISDBHSA-N 2 2 370.582 0.542 20 0 FCADLP C[C@H](CCN1CC[NH+](C(C)(C)CO)CC1)[NH+]1CCN(C(C)(C)CO)CC1 ZINC001319389191 1263687803 /nfs/dbraw/zinc/68/78/03/1263687803.db2.gz NILUKWKPDVFDFN-GOSISDBHSA-N 2 2 370.582 0.542 20 0 FCADLP C[C@@H]1CN(CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001320030021 1263755454 /nfs/dbraw/zinc/75/54/54/1263755454.db2.gz NZXBEPXBDNWVHL-KURKYZTESA-N 2 2 374.533 0.651 20 0 FCADLP C[C@@H]1CN(CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001320030025 1263756258 /nfs/dbraw/zinc/75/62/58/1263756258.db2.gz NZXBEPXBDNWVHL-SQNIBIBYSA-N 2 2 374.533 0.651 20 0 FCADLP CCc1nncn1CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001320415007 1263793510 /nfs/dbraw/zinc/79/35/10/1263793510.db2.gz IKPUPEHZZSSYNQ-UHFFFAOYSA-N 2 2 363.510 0.698 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC001321410972 1263955057 /nfs/dbraw/zinc/95/50/57/1263955057.db2.gz WKVMKNYOODSPLE-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC001321410972 1263955064 /nfs/dbraw/zinc/95/50/64/1263955064.db2.gz WKVMKNYOODSPLE-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)n1cc[nH+]c1 ZINC001321581193 1264000016 /nfs/dbraw/zinc/00/00/16/1264000016.db2.gz RSLFAQRURJUMNL-INIZCTEOSA-N 2 2 357.462 0.953 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001321856036 1264082136 /nfs/dbraw/zinc/08/21/36/1264082136.db2.gz JLNDWOHJJWFGGB-LSDHHAIUSA-N 2 2 363.462 0.005 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC3(O)CCOCC3)CC2)CC1 ZINC001322848823 1264282697 /nfs/dbraw/zinc/28/26/97/1264282697.db2.gz AEHHEHWCXICPJY-UHFFFAOYSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH+]cn1C ZINC001580402484 1278229008 /nfs/dbraw/zinc/22/90/08/1278229008.db2.gz BMPFEXPZAWVCOQ-LLVKDONJSA-N 2 2 372.408 0.576 20 0 FCADLP CCOCCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001323138504 1264349915 /nfs/dbraw/zinc/34/99/15/1264349915.db2.gz PMBKGYGHGGBHKD-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001510744077 1264511341 /nfs/dbraw/zinc/51/13/41/1264511341.db2.gz QGDRXCXMMKVCPW-RRFJBIMHSA-N 2 2 361.490 0.829 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001323967343 1264550317 /nfs/dbraw/zinc/55/03/17/1264550317.db2.gz KZINJWIYIBWCBZ-QGZVFWFLSA-N 2 2 367.453 0.901 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001323967343 1264550329 /nfs/dbraw/zinc/55/03/29/1264550329.db2.gz KZINJWIYIBWCBZ-QGZVFWFLSA-N 2 2 367.453 0.901 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(O)c1 ZINC001325776282 1264990375 /nfs/dbraw/zinc/99/03/75/1264990375.db2.gz TZNPDYDFLOSCRU-UHFFFAOYSA-N 2 2 362.474 0.493 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(O)c1 ZINC001325776282 1264990380 /nfs/dbraw/zinc/99/03/80/1264990380.db2.gz TZNPDYDFLOSCRU-UHFFFAOYSA-N 2 2 362.474 0.493 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H]3CCO)CC2)CC1 ZINC001325814332 1265002333 /nfs/dbraw/zinc/00/23/33/1265002333.db2.gz JUFCPAZWJYMMQD-KRWDZBQOSA-N 2 2 366.506 0.035 20 0 FCADLP COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC001326278060 1265091151 /nfs/dbraw/zinc/09/11/51/1265091151.db2.gz RCZVZYPOCUNKPH-OAHLLOKOSA-N 2 2 360.458 0.416 20 0 FCADLP COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC001326278060 1265091158 /nfs/dbraw/zinc/09/11/58/1265091158.db2.gz RCZVZYPOCUNKPH-OAHLLOKOSA-N 2 2 360.458 0.416 20 0 FCADLP Cc1cc[nH+]c(N2CCN(c3nnnn3CCC[NH+]3CCOCC3)CC2)c1 ZINC001332953199 1266511043 /nfs/dbraw/zinc/51/10/43/1266511043.db2.gz HUCZCCXMADVXLW-UHFFFAOYSA-N 2 2 372.477 0.425 20 0 FCADLP C(=C\CN1CC[NH+]([C@H]2CCOC2)CC1)\CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333570980 1266634447 /nfs/dbraw/zinc/63/44/47/1266634447.db2.gz DVWBZTAKAIDUDN-DZNLNZEASA-N 2 2 364.534 0.356 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001528434881 1266970328 /nfs/dbraw/zinc/97/03/28/1266970328.db2.gz XKJFVOMBMZHNCR-KRWDZBQOSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCCC2)CC[N@@H+]1C ZINC001531565245 1267140444 /nfs/dbraw/zinc/14/04/44/1267140444.db2.gz YRUPTGHSAXHUAP-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCCC2)CC[N@H+]1C ZINC001531565245 1267140447 /nfs/dbraw/zinc/14/04/47/1267140447.db2.gz YRUPTGHSAXHUAP-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001531565245 1267140449 /nfs/dbraw/zinc/14/04/49/1267140449.db2.gz YRUPTGHSAXHUAP-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001531565245 1267140452 /nfs/dbraw/zinc/14/04/52/1267140452.db2.gz YRUPTGHSAXHUAP-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC001548897849 1267766896 /nfs/dbraw/zinc/76/68/96/1267766896.db2.gz QICVAPBUJDLOQB-RVKKMQEKSA-N 2 2 374.489 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H](C)[NH+]1C ZINC001548900144 1267767567 /nfs/dbraw/zinc/76/75/67/1267767567.db2.gz AUENLKAJIROJTI-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001549152673 1267829666 /nfs/dbraw/zinc/82/96/66/1267829666.db2.gz DWWJRBSPICNKGC-OEUWWYETSA-N 2 2 362.478 0.864 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001549152673 1267829669 /nfs/dbraw/zinc/82/96/69/1267829669.db2.gz DWWJRBSPICNKGC-OEUWWYETSA-N 2 2 362.478 0.864 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC001549153488 1267831822 /nfs/dbraw/zinc/83/18/22/1267831822.db2.gz QUSOTDHXCMCYMF-GNNTXSLPSA-N 2 2 360.462 0.664 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC001549153488 1267831825 /nfs/dbraw/zinc/83/18/25/1267831825.db2.gz QUSOTDHXCMCYMF-GNNTXSLPSA-N 2 2 360.462 0.664 20 0 FCADLP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549156665 1267835840 /nfs/dbraw/zinc/83/58/40/1267835840.db2.gz SPJFWNBLMQTGCT-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549156665 1267835848 /nfs/dbraw/zinc/83/58/48/1267835848.db2.gz SPJFWNBLMQTGCT-KEYYUXOJSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001549159998 1267838537 /nfs/dbraw/zinc/83/85/37/1267838537.db2.gz KOMFGAWFTYSHCJ-UICACZKSSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001549159998 1267838544 /nfs/dbraw/zinc/83/85/44/1267838544.db2.gz KOMFGAWFTYSHCJ-UICACZKSSA-N 2 2 360.462 0.475 20 0 FCADLP CN(C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC001549336331 1267902808 /nfs/dbraw/zinc/90/28/08/1267902808.db2.gz HUSXKXXPBNPTPI-MPGHIAIKSA-N 2 2 374.489 0.960 20 0 FCADLP CN(C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC001549336331 1267902810 /nfs/dbraw/zinc/90/28/10/1267902810.db2.gz HUSXKXXPBNPTPI-MPGHIAIKSA-N 2 2 374.489 0.960 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)CCc2ccccc2)CN1CC[NH+]1CCOCC1 ZINC001338489499 1267958206 /nfs/dbraw/zinc/95/82/06/1267958206.db2.gz UCMBDFINTANLTM-RBUKOAKNSA-N 2 2 361.486 0.503 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1n1ccnn1 ZINC001549664143 1267976262 /nfs/dbraw/zinc/97/62/62/1267976262.db2.gz JBOJJWGAJNUBEW-BRWVUGGUSA-N 2 2 362.478 0.235 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1n1ccnn1 ZINC001549664143 1267976272 /nfs/dbraw/zinc/97/62/72/1267976272.db2.gz JBOJJWGAJNUBEW-BRWVUGGUSA-N 2 2 362.478 0.235 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001550020093 1268052395 /nfs/dbraw/zinc/05/23/95/1268052395.db2.gz XCFZNVFCKYOPFU-BBRMVZONSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001550020093 1268052405 /nfs/dbraw/zinc/05/24/05/1268052405.db2.gz XCFZNVFCKYOPFU-BBRMVZONSA-N 2 2 362.478 0.866 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C2)c1 ZINC001550727993 1268157628 /nfs/dbraw/zinc/15/76/28/1268157628.db2.gz XEKPHKFGKGERMS-XWSJACJDSA-N 2 2 359.470 0.831 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C2)c1 ZINC001550727993 1268157634 /nfs/dbraw/zinc/15/76/34/1268157634.db2.gz XEKPHKFGKGERMS-XWSJACJDSA-N 2 2 359.470 0.831 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001550746611 1268161867 /nfs/dbraw/zinc/16/18/67/1268161867.db2.gz WKCILEARSLROJQ-VWPFQQQWSA-N 2 2 360.462 0.381 20 0 FCADLP C[C@@H]1CCCn2c(CC(=O)N3C[C@@H](n4ccnn4)[C@H]([NH+](C)C)C3)c[nH+]c21 ZINC001550869278 1268178936 /nfs/dbraw/zinc/17/89/36/1268178936.db2.gz YGYKZWNQORAHAR-FVQBIDKESA-N 2 2 357.462 0.928 20 0 FCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551274794 1268219449 /nfs/dbraw/zinc/21/94/49/1268219449.db2.gz PWHXFGLTIQANSO-HFCFLWKCSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551274794 1268219458 /nfs/dbraw/zinc/21/94/58/1268219458.db2.gz PWHXFGLTIQANSO-HFCFLWKCSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001551543446 1268264340 /nfs/dbraw/zinc/26/43/40/1268264340.db2.gz UJHLCFCCLKOZGX-QEJZJMRPSA-N 2 2 362.396 0.645 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551558945 1268270325 /nfs/dbraw/zinc/27/03/25/1268270325.db2.gz IJBKSTFCNFEZSI-HUUCEWRRSA-N 2 2 364.412 0.938 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551558945 1268270334 /nfs/dbraw/zinc/27/03/34/1268270334.db2.gz IJBKSTFCNFEZSI-HUUCEWRRSA-N 2 2 364.412 0.938 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585299 1268279599 /nfs/dbraw/zinc/27/95/99/1268279599.db2.gz ANJFCMPATIGJQO-CRAIPNDOSA-N 2 2 370.457 0.780 20 0 FCADLP O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC001551586223 1268279646 /nfs/dbraw/zinc/27/96/46/1268279646.db2.gz BYNQXRRMKPNGIR-SJLPKXTDSA-N 2 2 374.489 0.876 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001552078268 1268361815 /nfs/dbraw/zinc/36/18/15/1268361815.db2.gz UYCJAXOUPBOXLK-YYIAUSFCSA-N 2 2 352.479 0.306 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001552078268 1268361829 /nfs/dbraw/zinc/36/18/29/1268361829.db2.gz UYCJAXOUPBOXLK-YYIAUSFCSA-N 2 2 352.479 0.306 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]2[NH3+])cn1 ZINC001552095603 1268372081 /nfs/dbraw/zinc/37/20/81/1268372081.db2.gz FAYUMOQTFZTONL-JYJNAYRXSA-N 2 2 355.446 0.530 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC001552166282 1268398235 /nfs/dbraw/zinc/39/82/35/1268398235.db2.gz FZBWSAQLYQCFHN-IRXDYDNUSA-N 2 2 354.458 0.775 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC001552167116 1268400113 /nfs/dbraw/zinc/40/01/13/1268400113.db2.gz MRUKMLAKAHJGEM-KCQAQPDRSA-N 2 2 359.434 0.109 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC001552169127 1268400588 /nfs/dbraw/zinc/40/05/88/1268400588.db2.gz WHFVUNXVNYRSLM-ZFWWWQNUSA-N 2 2 359.434 0.109 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552168059 1268400842 /nfs/dbraw/zinc/40/08/42/1268400842.db2.gz XABGVWJPOMPJBX-CVEARBPZSA-N 2 2 357.520 0.247 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)([NH+]2CCCCC2)CC1 ZINC001552202967 1268409386 /nfs/dbraw/zinc/40/93/86/1268409386.db2.gz UBJQLIUNZRNEPS-QFBILLFUSA-N 3 2 350.507 0.289 20 0 FCADLP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001552215766 1268412564 /nfs/dbraw/zinc/41/25/64/1268412564.db2.gz LUHZENYHFGGHRM-HOTGVXAUSA-N 3 2 361.494 0.053 20 0 FCADLP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001552215766 1268412565 /nfs/dbraw/zinc/41/25/65/1268412565.db2.gz LUHZENYHFGGHRM-HOTGVXAUSA-N 3 2 361.494 0.053 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001340094272 1268433497 /nfs/dbraw/zinc/43/34/97/1268433497.db2.gz PHOYZVJDRLBAKN-FUHWJXTLSA-N 2 2 368.485 0.673 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC001340129756 1268444903 /nfs/dbraw/zinc/44/49/03/1268444903.db2.gz BCQSLVSFBKWENK-OAHLLOKOSA-N 2 2 355.442 0.899 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001580500010 1278409770 /nfs/dbraw/zinc/40/97/70/1278409770.db2.gz ZZRFLUQCPUWYMB-UHFFFAOYSA-N 2 2 354.418 0.689 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001580500010 1278409778 /nfs/dbraw/zinc/40/97/78/1278409778.db2.gz ZZRFLUQCPUWYMB-UHFFFAOYSA-N 2 2 354.418 0.689 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155594 1268452983 /nfs/dbraw/zinc/45/29/83/1268452983.db2.gz XBRIFYSLQJGEHR-GDBMZVCRSA-N 2 2 374.551 0.477 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155594 1268452987 /nfs/dbraw/zinc/45/29/87/1268452987.db2.gz XBRIFYSLQJGEHR-GDBMZVCRSA-N 2 2 374.551 0.477 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001552420500 1268460108 /nfs/dbraw/zinc/46/01/08/1268460108.db2.gz LBXXJRORFWNRLB-INIZCTEOSA-N 2 2 359.474 0.626 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001580502068 1278412327 /nfs/dbraw/zinc/41/23/27/1278412327.db2.gz POZPXMNVBGRIIP-HNNXBMFYSA-N 2 2 366.429 0.831 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001580502068 1278412348 /nfs/dbraw/zinc/41/23/48/1278412348.db2.gz POZPXMNVBGRIIP-HNNXBMFYSA-N 2 2 366.429 0.831 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793436 1268548156 /nfs/dbraw/zinc/54/81/56/1268548156.db2.gz REXXTQSBJJFBNL-ROUUACIJSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793436 1268548162 /nfs/dbraw/zinc/54/81/62/1268548162.db2.gz REXXTQSBJJFBNL-ROUUACIJSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793436 1268548167 /nfs/dbraw/zinc/54/81/67/1268548167.db2.gz REXXTQSBJJFBNL-ROUUACIJSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793436 1268548172 /nfs/dbraw/zinc/54/81/72/1268548172.db2.gz REXXTQSBJJFBNL-ROUUACIJSA-N 2 2 367.538 0.375 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC001552797807 1268550329 /nfs/dbraw/zinc/55/03/29/1268550329.db2.gz SHLJEXFBQYMTQO-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC001552797807 1268550337 /nfs/dbraw/zinc/55/03/37/1268550337.db2.gz SHLJEXFBQYMTQO-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001552797807 1268550342 /nfs/dbraw/zinc/55/03/42/1268550342.db2.gz SHLJEXFBQYMTQO-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC001552797807 1268550347 /nfs/dbraw/zinc/55/03/47/1268550347.db2.gz SHLJEXFBQYMTQO-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NCC[NH+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995375 1268575450 /nfs/dbraw/zinc/57/54/50/1268575450.db2.gz SWUZXJZINPRDTH-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NCC[NH+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995375 1268575454 /nfs/dbraw/zinc/57/54/54/1268575454.db2.gz SWUZXJZINPRDTH-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995375 1268575457 /nfs/dbraw/zinc/57/54/57/1268575457.db2.gz SWUZXJZINPRDTH-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995375 1268575462 /nfs/dbraw/zinc/57/54/62/1268575462.db2.gz SWUZXJZINPRDTH-ILYVXUQDSA-N 2 2 368.522 0.486 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553114169 1268592303 /nfs/dbraw/zinc/59/23/03/1268592303.db2.gz LKVSUEKHDJMEKA-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553114169 1268592307 /nfs/dbraw/zinc/59/23/07/1268592307.db2.gz LKVSUEKHDJMEKA-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553117449 1268593627 /nfs/dbraw/zinc/59/36/27/1268593627.db2.gz VAZVNXSBSJZBBZ-ZJPYXAASSA-N 2 2 351.491 0.951 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553117449 1268593633 /nfs/dbraw/zinc/59/36/33/1268593633.db2.gz VAZVNXSBSJZBBZ-ZJPYXAASSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC001553140894 1268597226 /nfs/dbraw/zinc/59/72/26/1268597226.db2.gz RLUUSEODIDCSJC-IAGOWNOFSA-N 2 2 368.522 0.008 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC001553140894 1268597232 /nfs/dbraw/zinc/59/72/32/1268597232.db2.gz RLUUSEODIDCSJC-IAGOWNOFSA-N 2 2 368.522 0.008 20 0 FCADLP C[N@@H+]1CC[C@@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368418 1268639488 /nfs/dbraw/zinc/63/94/88/1268639488.db2.gz GSMLDZOJIHQKEZ-FXAWDEMLSA-N 3 2 364.534 0.679 20 0 FCADLP C[N@H+]1CC[C@@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368418 1268639491 /nfs/dbraw/zinc/63/94/91/1268639491.db2.gz GSMLDZOJIHQKEZ-FXAWDEMLSA-N 3 2 364.534 0.679 20 0 FCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001553621011 1268670816 /nfs/dbraw/zinc/67/08/16/1268670816.db2.gz IMFOBGLFMKFGKT-ATIWLJMLSA-N 2 2 351.491 0.713 20 0 FCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001553621011 1268670819 /nfs/dbraw/zinc/67/08/19/1268670819.db2.gz IMFOBGLFMKFGKT-ATIWLJMLSA-N 2 2 351.491 0.713 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(C3CC[NH2+]CC3)o2)[C@@H](C)C1 ZINC001341042072 1268757742 /nfs/dbraw/zinc/75/77/42/1268757742.db2.gz OVOCPEQALYVDEE-ZDUSSCGKSA-N 2 2 364.446 0.851 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(C3CC[NH2+]CC3)o2)[C@@H](C)C1 ZINC001341042072 1268757745 /nfs/dbraw/zinc/75/77/45/1268757745.db2.gz OVOCPEQALYVDEE-ZDUSSCGKSA-N 2 2 364.446 0.851 20 0 FCADLP CC(C)(O)[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001341585934 1269095589 /nfs/dbraw/zinc/09/55/89/1269095589.db2.gz OSXYHMWGPCAWIL-MRXNPFEDSA-N 2 2 351.447 0.112 20 0 FCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3C[NH2+]CCN3C)CCCC2)no1 ZINC001341672329 1269145043 /nfs/dbraw/zinc/14/50/43/1269145043.db2.gz DITQVRPNIRYSAL-AWEZNQCLSA-N 2 2 364.494 0.701 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC001341691764 1269152312 /nfs/dbraw/zinc/15/23/12/1269152312.db2.gz MFIUGWFISNPRGD-RTBURBONSA-N 2 2 353.507 0.711 20 0 FCADLP COc1cccc2c1CC[C@]2([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001341716971 1269166977 /nfs/dbraw/zinc/16/69/77/1269166977.db2.gz LZAHXGLFORYAIF-FOIQADDNSA-N 2 2 359.470 0.976 20 0 FCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001342508935 1269496349 /nfs/dbraw/zinc/49/63/49/1269496349.db2.gz VSAVLSNUNSTDRC-HNNXBMFYSA-N 2 2 354.370 0.744 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C(=O)NC1CC1 ZINC001565874878 1269498182 /nfs/dbraw/zinc/49/81/82/1269498182.db2.gz YVLRXOVZFUVFFK-CCECPURYSA-N 2 2 359.474 0.675 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC001567305351 1269686734 /nfs/dbraw/zinc/68/67/34/1269686734.db2.gz WNSXYMYBDGHVPV-HUUCEWRRSA-N 2 2 368.503 0.396 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC001567305351 1269686739 /nfs/dbraw/zinc/68/67/39/1269686739.db2.gz WNSXYMYBDGHVPV-HUUCEWRRSA-N 2 2 368.503 0.396 20 0 FCADLP CO[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001342940230 1269691291 /nfs/dbraw/zinc/69/12/91/1269691291.db2.gz QPERAAQVQOTCLN-HUUCEWRRSA-N 2 2 363.462 0.169 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCc3cccs3)C2)CC[N@@H+]1C ZINC001567874112 1269711111 /nfs/dbraw/zinc/71/11/11/1269711111.db2.gz JOMKJGMBUXJEJE-IJEWVQPXSA-N 2 2 364.515 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCc3cccs3)C2)CC[N@H+]1C ZINC001567874112 1269711121 /nfs/dbraw/zinc/71/11/21/1269711121.db2.gz JOMKJGMBUXJEJE-IJEWVQPXSA-N 2 2 364.515 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCc3cccs3)C2)CC[NH+]1C ZINC001567874112 1269711127 /nfs/dbraw/zinc/71/11/27/1269711127.db2.gz JOMKJGMBUXJEJE-IJEWVQPXSA-N 2 2 364.515 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCc3cccs3)C2)CC[NH+]1C ZINC001567874112 1269711133 /nfs/dbraw/zinc/71/11/33/1269711133.db2.gz JOMKJGMBUXJEJE-IJEWVQPXSA-N 2 2 364.515 0.895 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001343725541 1269992053 /nfs/dbraw/zinc/99/20/53/1269992053.db2.gz LQQVZAYROFVCSV-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001343725541 1269992058 /nfs/dbraw/zinc/99/20/58/1269992058.db2.gz LQQVZAYROFVCSV-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001344741462 1270230957 /nfs/dbraw/zinc/23/09/57/1270230957.db2.gz GCCHIBIPRNWJRI-IAGOWNOFSA-N 2 2 373.501 0.898 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1OC)[NH+](C)C ZINC001572960439 1270413268 /nfs/dbraw/zinc/41/32/68/1270413268.db2.gz KRTHNHOEIJQIDA-QLFBSQMISA-N 2 2 365.478 0.035 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001573120406 1270613219 /nfs/dbraw/zinc/61/32/19/1270613219.db2.gz PFWCOQDHWQRXBL-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001573120406 1270613221 /nfs/dbraw/zinc/61/32/21/1270613221.db2.gz PFWCOQDHWQRXBL-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033562 1271015479 /nfs/dbraw/zinc/01/54/79/1271015479.db2.gz VHXLSUSSUVYDJO-INIZCTEOSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574033562 1271015490 /nfs/dbraw/zinc/01/54/90/1271015490.db2.gz VHXLSUSSUVYDJO-INIZCTEOSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574039162 1271023125 /nfs/dbraw/zinc/02/31/25/1271023125.db2.gz RMOXMLXSUDHGGP-MRXNPFEDSA-N 2 2 368.445 0.994 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574261045 1271133563 /nfs/dbraw/zinc/13/35/63/1271133563.db2.gz DETXSGVYTMYIGW-ZDUSSCGKSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574261045 1271133568 /nfs/dbraw/zinc/13/35/68/1271133568.db2.gz DETXSGVYTMYIGW-ZDUSSCGKSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574601816 1271405649 /nfs/dbraw/zinc/40/56/49/1271405649.db2.gz IYJNHDZEWBGRSZ-CHWSQXEVSA-N 2 2 369.433 0.838 20 0 FCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574612507 1271419283 /nfs/dbraw/zinc/41/92/83/1271419283.db2.gz GGMWJUDDAYIBJW-NSHDSACASA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574652996 1271451724 /nfs/dbraw/zinc/45/17/24/1271451724.db2.gz DNNRJQITANUOIS-NSHDSACASA-N 2 2 372.408 0.956 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001574778664 1271512243 /nfs/dbraw/zinc/51/22/43/1271512243.db2.gz LYOZTBVRAXGBBZ-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001574778664 1271512252 /nfs/dbraw/zinc/51/22/52/1271512252.db2.gz LYOZTBVRAXGBBZ-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574782206 1271516679 /nfs/dbraw/zinc/51/66/79/1271516679.db2.gz WDDMZOQUVMKAOP-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574782206 1271516684 /nfs/dbraw/zinc/51/66/84/1271516684.db2.gz WDDMZOQUVMKAOP-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574782206 1271516694 /nfs/dbraw/zinc/51/66/94/1271516694.db2.gz WDDMZOQUVMKAOP-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574782206 1271516701 /nfs/dbraw/zinc/51/67/01/1271516701.db2.gz WDDMZOQUVMKAOP-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC001575160437 1271757254 /nfs/dbraw/zinc/75/72/54/1271757254.db2.gz LJHWEQMDPSOOMY-SFHVURJKSA-N 2 2 355.479 0.664 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)C1 ZINC001575187082 1271775047 /nfs/dbraw/zinc/77/50/47/1271775047.db2.gz OPFWEXIGCQVGED-QZTJIDSGSA-N 2 2 355.479 0.813 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)C1 ZINC001575187082 1271775049 /nfs/dbraw/zinc/77/50/49/1271775049.db2.gz OPFWEXIGCQVGED-QZTJIDSGSA-N 2 2 355.479 0.813 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001575195201 1271778394 /nfs/dbraw/zinc/77/83/94/1271778394.db2.gz JTILEADFAJUIMI-CYBMUJFWSA-N 2 2 358.483 0.144 20 0 FCADLP CC(C)(C)[C@H](C[NH2+]CCc1cn[nH]n1)NC(=O)CC[NH+]1CCOCC1 ZINC001575257348 1271857368 /nfs/dbraw/zinc/85/73/68/1271857368.db2.gz QCPSSKXWCTYACQ-HNNXBMFYSA-N 2 2 352.483 0.190 20 0 FCADLP CC(C)(C)[C@H](C[NH2+]CCc1c[nH]nn1)NC(=O)CC[NH+]1CCOCC1 ZINC001575257348 1271857377 /nfs/dbraw/zinc/85/73/77/1271857377.db2.gz QCPSSKXWCTYACQ-HNNXBMFYSA-N 2 2 352.483 0.190 20 0 FCADLP CC(C)(C)OC(=O)NCC[NH2+]CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001575320315 1271922283 /nfs/dbraw/zinc/92/22/83/1271922283.db2.gz UDNHFRSYOFPZOL-UHFFFAOYSA-N 2 2 358.483 0.328 20 0 FCADLP C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001575378712 1272022443 /nfs/dbraw/zinc/02/24/43/1272022443.db2.gz JCBWFVFEYKLCAU-MNOVXSKESA-N 2 2 372.408 0.954 20 0 FCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575401826 1272052055 /nfs/dbraw/zinc/05/20/55/1272052055.db2.gz QWSJTBYEWDLTSS-RYUDHWBXSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@H+](CCc2c[nH]nn2)CC1 ZINC001575565481 1272199818 /nfs/dbraw/zinc/19/98/18/1272199818.db2.gz CTQJYXQXHBPJEM-HNNXBMFYSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@@H+](CCc2c[nH]nn2)CC1 ZINC001575565481 1272199821 /nfs/dbraw/zinc/19/98/21/1272199821.db2.gz CTQJYXQXHBPJEM-HNNXBMFYSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@H+](CCc2cn[nH]n2)CC1 ZINC001575565481 1272199825 /nfs/dbraw/zinc/19/98/25/1272199825.db2.gz CTQJYXQXHBPJEM-HNNXBMFYSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1=CC[N@@H+](CCc2cn[nH]n2)CC1 ZINC001575565481 1272199829 /nfs/dbraw/zinc/19/98/29/1272199829.db2.gz CTQJYXQXHBPJEM-HNNXBMFYSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576018527 1272717722 /nfs/dbraw/zinc/71/77/22/1272717722.db2.gz HOORQWOSVOJRHA-CZUORRHYSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001576052786 1272784187 /nfs/dbraw/zinc/78/41/87/1272784187.db2.gz NEYANARYNWYJED-CHWSQXEVSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062104 1272808563 /nfs/dbraw/zinc/80/85/63/1272808563.db2.gz YLMUKKBHAFZOCO-NVXWUHKLSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062104 1272808582 /nfs/dbraw/zinc/80/85/82/1272808582.db2.gz YLMUKKBHAFZOCO-NVXWUHKLSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063258 1272813896 /nfs/dbraw/zinc/81/38/96/1272813896.db2.gz CZQODKNJXLWSIK-KFWWJZLASA-N 2 2 350.467 0.040 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125005 1272920393 /nfs/dbraw/zinc/92/03/93/1272920393.db2.gz RNLVNMFPZFSXDY-MAUKXSAKSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@@H+](CCc3cn[nH]n3)C2)O1 ZINC001576125005 1272920403 /nfs/dbraw/zinc/92/04/03/1272920403.db2.gz RNLVNMFPZFSXDY-MAUKXSAKSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125005 1272920407 /nfs/dbraw/zinc/92/04/07/1272920407.db2.gz RNLVNMFPZFSXDY-MAUKXSAKSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@]2(CC[N@@H+](CCc3c[nH]nn3)C2)O1 ZINC001576125005 1272920410 /nfs/dbraw/zinc/92/04/10/1272920410.db2.gz RNLVNMFPZFSXDY-MAUKXSAKSA-N 2 2 362.478 0.135 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576269929 1273066124 /nfs/dbraw/zinc/06/61/24/1273066124.db2.gz AVJRMJKHXHEOFZ-OCCSQVGLSA-N 2 2 367.417 0.229 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499414 1273362615 /nfs/dbraw/zinc/36/26/15/1273362615.db2.gz KCZFQKZXUCRESU-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499414 1273362619 /nfs/dbraw/zinc/36/26/19/1273362619.db2.gz KCZFQKZXUCRESU-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C)[NH+](C)C ZINC001576500532 1273366323 /nfs/dbraw/zinc/36/63/23/1273366323.db2.gz YERFTVHZZGXGAE-UKRRQHHQSA-N 2 2 372.477 0.933 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001576506118 1273375902 /nfs/dbraw/zinc/37/59/02/1273375902.db2.gz NZPUFKQAUNEWQM-UMVBOHGHSA-N 2 2 372.477 0.790 20 0 FCADLP CC[N@H+](C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517999 1273402266 /nfs/dbraw/zinc/40/22/66/1273402266.db2.gz WWINYRZEGFSQLA-SJORKVTESA-N 2 2 360.462 0.407 20 0 FCADLP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn[nH]1)c1ccccc1 ZINC001576517999 1273402271 /nfs/dbraw/zinc/40/22/71/1273402271.db2.gz WWINYRZEGFSQLA-SJORKVTESA-N 2 2 360.462 0.407 20 0 FCADLP CC[C@@H](C)C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576583112 1273461884 /nfs/dbraw/zinc/46/18/84/1273461884.db2.gz CKKNWHKOIVPQCE-CYBMUJFWSA-N 2 2 372.477 0.722 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001576585683 1273465993 /nfs/dbraw/zinc/46/59/93/1273465993.db2.gz FMDOWPGSDRTDQJ-GDBMZVCRSA-N 2 2 361.450 0.005 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C3=NOC4(C[NH2+]C4)C3)c2)CCO1 ZINC001576808799 1273720129 /nfs/dbraw/zinc/72/01/29/1273720129.db2.gz JJPGHHDYUGBHHJ-CQSZACIVSA-N 2 2 358.442 0.642 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C3=NOC4(C[NH2+]C4)C3)c2)CCO1 ZINC001576808799 1273720137 /nfs/dbraw/zinc/72/01/37/1273720137.db2.gz JJPGHHDYUGBHHJ-CQSZACIVSA-N 2 2 358.442 0.642 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576834329 1273762090 /nfs/dbraw/zinc/76/20/90/1273762090.db2.gz DMGHVPARULRFQY-ZDUSSCGKSA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576835308 1273763459 /nfs/dbraw/zinc/76/34/59/1273763459.db2.gz LIKTVBCILJSZIU-CYBMUJFWSA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576835297 1273763672 /nfs/dbraw/zinc/76/36/72/1273763672.db2.gz LAVMRKPCXONDRB-ZDUSSCGKSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576862838 1273826333 /nfs/dbraw/zinc/82/63/33/1273826333.db2.gz WGYHFFLCQUUUCM-RBSFLKMASA-N 2 2 350.467 0.388 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001576862838 1273826337 /nfs/dbraw/zinc/82/63/37/1273826337.db2.gz WGYHFFLCQUUUCM-RBSFLKMASA-N 2 2 350.467 0.388 20 0 FCADLP C[NH+]1CCC(OCC(=O)NC2CC3(C2)CC([NH2+]Cc2c[nH]nn2)C3)CC1 ZINC001576882705 1273863276 /nfs/dbraw/zinc/86/32/76/1273863276.db2.gz JGLMHZDLNYIDLM-UHFFFAOYSA-N 2 2 362.478 0.433 20 0 FCADLP C[NH+]1CCC(OCC(=O)NC2CC3(C2)CC([NH2+]Cc2cn[nH]n2)C3)CC1 ZINC001576882705 1273863281 /nfs/dbraw/zinc/86/32/81/1273863281.db2.gz JGLMHZDLNYIDLM-UHFFFAOYSA-N 2 2 362.478 0.433 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902938 1273911810 /nfs/dbraw/zinc/91/18/10/1273911810.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cn[nH]n2)CCCO1 ZINC001576902938 1273911814 /nfs/dbraw/zinc/91/18/14/1273911814.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902938 1273911815 /nfs/dbraw/zinc/91/18/15/1273911815.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1 ZINC001576902938 1273911816 /nfs/dbraw/zinc/91/18/16/1273911816.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902938 1273911819 /nfs/dbraw/zinc/91/18/19/1273911819.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2c[nH]nn2)CCCO1 ZINC001576902938 1273911823 /nfs/dbraw/zinc/91/18/23/1273911823.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902938 1273911824 /nfs/dbraw/zinc/91/18/24/1273911824.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1 ZINC001576902938 1273911825 /nfs/dbraw/zinc/91/18/25/1273911825.db2.gz GSPVZWCNYLPMHY-CVEARBPZSA-N 2 2 350.467 0.039 20 0 FCADLP CCCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC001577492377 1274450272 /nfs/dbraw/zinc/45/02/72/1274450272.db2.gz QZFABSLFFZZWRE-MRXNPFEDSA-N 2 2 350.467 0.821 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563264 1274515518 /nfs/dbraw/zinc/51/55/18/1274515518.db2.gz NRNQKIKSLXPBCE-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563264 1274515524 /nfs/dbraw/zinc/51/55/24/1274515524.db2.gz NRNQKIKSLXPBCE-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563264 1274515528 /nfs/dbraw/zinc/51/55/28/1274515528.db2.gz NRNQKIKSLXPBCE-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001577563264 1274515531 /nfs/dbraw/zinc/51/55/31/1274515531.db2.gz NRNQKIKSLXPBCE-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)CCC[NH2+]CCc1cn[nH]n1)C2 ZINC001577571186 1274533293 /nfs/dbraw/zinc/53/32/93/1274533293.db2.gz AAPAMJZAMBJZOA-ZFWWWQNUSA-N 2 2 359.478 0.989 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)CCC[NH2+]CCc1c[nH]nn1)C2 ZINC001577571186 1274533296 /nfs/dbraw/zinc/53/32/96/1274533296.db2.gz AAPAMJZAMBJZOA-ZFWWWQNUSA-N 2 2 359.478 0.989 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CCc1cn[nH]n1)C2 ZINC001577571183 1274534714 /nfs/dbraw/zinc/53/47/14/1274534714.db2.gz AAPAMJZAMBJZOA-DZGCQCFKSA-N 2 2 359.478 0.989 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CCc1c[nH]nn1)C2 ZINC001577571183 1274534719 /nfs/dbraw/zinc/53/47/19/1274534719.db2.gz AAPAMJZAMBJZOA-DZGCQCFKSA-N 2 2 359.478 0.989 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001577804777 1274907845 /nfs/dbraw/zinc/90/78/45/1274907845.db2.gz CTGRBBNHGLKUIL-INIZCTEOSA-N 2 2 364.494 0.635 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895541 1275105744 /nfs/dbraw/zinc/10/57/44/1275105744.db2.gz JGFTYRKHKYMNHH-AWEZNQCLSA-N 2 2 372.477 0.936 20 0 FCADLP O=C(N[C@H](C[NH2+]CCc1cn[nH]n1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577975020 1275200229 /nfs/dbraw/zinc/20/02/29/1275200229.db2.gz OHOBCXMATCNQII-QGZVFWFLSA-N 2 2 373.461 0.729 20 0 FCADLP O=C(N[C@H](C[NH2+]CCc1c[nH]nn1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001577975020 1275200239 /nfs/dbraw/zinc/20/02/39/1275200239.db2.gz OHOBCXMATCNQII-QGZVFWFLSA-N 2 2 373.461 0.729 20 0 FCADLP CCN(CCNC(=O)CCCn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577975779 1275202098 /nfs/dbraw/zinc/20/20/98/1275202098.db2.gz IEBFQEVBJBHFNG-UHFFFAOYSA-N 2 2 369.433 0.881 20 0 FCADLP CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578004500 1275266473 /nfs/dbraw/zinc/26/64/73/1275266473.db2.gz IJUIQZNRYMZLSC-ZDUSSCGKSA-N 2 2 358.450 0.546 20 0 FCADLP CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578004500 1275266478 /nfs/dbraw/zinc/26/64/78/1275266478.db2.gz IJUIQZNRYMZLSC-ZDUSSCGKSA-N 2 2 358.450 0.546 20 0 FCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578038020 1275317518 /nfs/dbraw/zinc/31/75/18/1275317518.db2.gz OBRRNUOTMILXIK-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578038020 1275317525 /nfs/dbraw/zinc/31/75/25/1275317525.db2.gz OBRRNUOTMILXIK-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001578197057 1275484640 /nfs/dbraw/zinc/48/46/40/1275484640.db2.gz FRPHHLPYURUVPJ-GFCCVEGCSA-N 2 2 355.406 0.489 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001578471576 1275884199 /nfs/dbraw/zinc/88/41/99/1275884199.db2.gz STZGGOFQYQPQRB-REBRKWNGSA-N 2 2 370.461 0.400 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CC1C[NH2+]C1 ZINC001578472568 1275885839 /nfs/dbraw/zinc/88/58/39/1275885839.db2.gz AWEOBLUVCQMHLV-UHFFFAOYSA-N 2 2 359.478 0.271 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529504 1275961063 /nfs/dbraw/zinc/96/10/63/1275961063.db2.gz WLKULLXGQORTOY-KSSFIOAISA-N 2 2 355.479 0.535 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529504 1275961070 /nfs/dbraw/zinc/96/10/70/1275961070.db2.gz WLKULLXGQORTOY-KSSFIOAISA-N 2 2 355.479 0.535 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529502 1275962450 /nfs/dbraw/zinc/96/24/50/1275962450.db2.gz WLKULLXGQORTOY-KBXCAEBGSA-N 2 2 355.479 0.535 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529502 1275962454 /nfs/dbraw/zinc/96/24/54/1275962454.db2.gz WLKULLXGQORTOY-KBXCAEBGSA-N 2 2 355.479 0.535 20 0 FCADLP C[NH2+]CCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578704902 1276172053 /nfs/dbraw/zinc/17/20/53/1276172053.db2.gz IUPLMDFNRJTGHM-CQSZACIVSA-N 2 2 355.483 0.542 20 0 FCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578876028 1276404869 /nfs/dbraw/zinc/40/48/69/1276404869.db2.gz JWBUBODEROAGQM-CYBMUJFWSA-N 2 2 367.417 0.586 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001578970609 1276514634 /nfs/dbraw/zinc/51/46/34/1276514634.db2.gz DSEBXURWAGIZRV-UHFFFAOYSA-N 2 2 369.473 0.853 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(-c2nn[nH]n2)s1 ZINC001578990743 1276563850 /nfs/dbraw/zinc/56/38/50/1276563850.db2.gz HXBRAFMZZCUEPH-UHFFFAOYSA-N 2 2 366.495 0.611 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(-c2nn[nH]n2)s1 ZINC001578990743 1276563853 /nfs/dbraw/zinc/56/38/53/1276563853.db2.gz HXBRAFMZZCUEPH-UHFFFAOYSA-N 2 2 366.495 0.611 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579008215 1276579708 /nfs/dbraw/zinc/57/97/08/1276579708.db2.gz PFNZUYKGTHWIOK-CYBMUJFWSA-N 2 2 372.477 0.935 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579008215 1276579712 /nfs/dbraw/zinc/57/97/12/1276579712.db2.gz PFNZUYKGTHWIOK-CYBMUJFWSA-N 2 2 372.477 0.935 20 0 FCADLP C[N@H+](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579008051 1276581228 /nfs/dbraw/zinc/58/12/28/1276581228.db2.gz KHACXOGXOTZYID-UHFFFAOYSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@@H+](CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579008051 1276581234 /nfs/dbraw/zinc/58/12/34/1276581234.db2.gz KHACXOGXOTZYID-UHFFFAOYSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007928 1276581550 /nfs/dbraw/zinc/58/15/50/1276581550.db2.gz HESSNPUXQZMPGL-CYBMUJFWSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007928 1276581557 /nfs/dbraw/zinc/58/15/57/1276581557.db2.gz HESSNPUXQZMPGL-CYBMUJFWSA-N 2 2 370.461 0.831 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])CC(F)(F)F)CC1 ZINC001579016337 1276592022 /nfs/dbraw/zinc/59/20/22/1276592022.db2.gz RNXSPQPAABKIML-OLZOCXBDSA-N 2 2 354.417 0.425 20 0 FCADLP CN(C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083733 1276712501 /nfs/dbraw/zinc/71/25/01/1276712501.db2.gz WELGSELTINEYKA-CJNGLKHVSA-N 2 2 370.461 0.641 20 0 FCADLP CN(C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083733 1276712513 /nfs/dbraw/zinc/71/25/13/1276712513.db2.gz WELGSELTINEYKA-CJNGLKHVSA-N 2 2 370.461 0.641 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001579099368 1276750726 /nfs/dbraw/zinc/75/07/26/1276750726.db2.gz ZHHMPHZGBVXAMT-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001579099368 1276750732 /nfs/dbraw/zinc/75/07/32/1276750732.db2.gz ZHHMPHZGBVXAMT-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579099368 1276750743 /nfs/dbraw/zinc/75/07/43/1276750743.db2.gz ZHHMPHZGBVXAMT-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579099368 1276750750 /nfs/dbraw/zinc/75/07/50/1276750750.db2.gz ZHHMPHZGBVXAMT-DLBZAZTESA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579100829 1276752398 /nfs/dbraw/zinc/75/23/98/1276752398.db2.gz DMXBKSJPONRSTR-OAHLLOKOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579100829 1276752404 /nfs/dbraw/zinc/75/24/04/1276752404.db2.gz DMXBKSJPONRSTR-OAHLLOKOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001579100523 1276752617 /nfs/dbraw/zinc/75/26/17/1276752617.db2.gz AKBKOVWGVKUIJV-MRXNPFEDSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001579100523 1276752625 /nfs/dbraw/zinc/75/26/25/1276752625.db2.gz AKBKOVWGVKUIJV-MRXNPFEDSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579101021 1276753356 /nfs/dbraw/zinc/75/33/56/1276753356.db2.gz GDTCGAKPWAEFIE-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579101021 1276753363 /nfs/dbraw/zinc/75/33/63/1276753363.db2.gz GDTCGAKPWAEFIE-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]cn1C ZINC001579134045 1276833799 /nfs/dbraw/zinc/83/37/99/1276833799.db2.gz JPRXBCFQKIFFAI-UHFFFAOYSA-N 2 2 368.445 0.733 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]cn1C ZINC001579134045 1276833806 /nfs/dbraw/zinc/83/38/06/1276833806.db2.gz JPRXBCFQKIFFAI-UHFFFAOYSA-N 2 2 368.445 0.733 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001579151319 1276889167 /nfs/dbraw/zinc/88/91/67/1276889167.db2.gz YZWCYPWDHSZQEO-OAHLLOKOSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001579151319 1276889180 /nfs/dbraw/zinc/88/91/80/1276889180.db2.gz YZWCYPWDHSZQEO-OAHLLOKOSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]cn1C ZINC001579206887 1276996236 /nfs/dbraw/zinc/99/62/36/1276996236.db2.gz NWDHXBYTZBSHQE-UHFFFAOYSA-N 2 2 372.408 0.530 20 0 FCADLP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001579215136 1277011128 /nfs/dbraw/zinc/01/11/28/1277011128.db2.gz ZBRLSIJFZSCYDT-LBPRGKRZSA-N 2 2 367.417 0.013 20 0 FCADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579255948 1277051639 /nfs/dbraw/zinc/05/16/39/1277051639.db2.gz LGBZTUULUKMKHT-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579255948 1277051644 /nfs/dbraw/zinc/05/16/44/1277051644.db2.gz LGBZTUULUKMKHT-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001579318929 1277135204 /nfs/dbraw/zinc/13/52/04/1277135204.db2.gz GAEJWZRGHWEMLN-UONOGXRCSA-N 2 2 371.445 0.609 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333912 1277167565 /nfs/dbraw/zinc/16/75/65/1277167565.db2.gz AKZRVYBVPYBZSI-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333912 1277167566 /nfs/dbraw/zinc/16/75/66/1277167566.db2.gz AKZRVYBVPYBZSI-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333912 1277167569 /nfs/dbraw/zinc/16/75/69/1277167569.db2.gz AKZRVYBVPYBZSI-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333912 1277167572 /nfs/dbraw/zinc/16/75/72/1277167572.db2.gz AKZRVYBVPYBZSI-ZIAGYGMSSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334446 1277170677 /nfs/dbraw/zinc/17/06/77/1277170677.db2.gz FECITRICGYASOK-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334446 1277170682 /nfs/dbraw/zinc/17/06/82/1277170682.db2.gz FECITRICGYASOK-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334446 1277170684 /nfs/dbraw/zinc/17/06/84/1277170684.db2.gz FECITRICGYASOK-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579334446 1277170687 /nfs/dbraw/zinc/17/06/87/1277170687.db2.gz FECITRICGYASOK-KBPBESRZSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335191 1277173255 /nfs/dbraw/zinc/17/32/55/1277173255.db2.gz NYCMHFGFUXSLEN-ZFWWWQNUSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335191 1277173258 /nfs/dbraw/zinc/17/32/58/1277173258.db2.gz NYCMHFGFUXSLEN-ZFWWWQNUSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335191 1277173259 /nfs/dbraw/zinc/17/32/59/1277173259.db2.gz NYCMHFGFUXSLEN-ZFWWWQNUSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335191 1277173262 /nfs/dbraw/zinc/17/32/62/1277173262.db2.gz NYCMHFGFUXSLEN-ZFWWWQNUSA-N 2 2 373.436 0.648 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350418 1277205924 /nfs/dbraw/zinc/20/59/24/1277205924.db2.gz DPEJZYCNGHFJPB-HZPDHXFCSA-N 2 2 370.461 0.427 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350418 1277205925 /nfs/dbraw/zinc/20/59/25/1277205925.db2.gz DPEJZYCNGHFJPB-HZPDHXFCSA-N 2 2 370.461 0.427 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356765 1277222685 /nfs/dbraw/zinc/22/26/85/1277222685.db2.gz MVBNSBYVXAMWMP-GJZGRUSLSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356765 1277222686 /nfs/dbraw/zinc/22/26/86/1277222686.db2.gz MVBNSBYVXAMWMP-GJZGRUSLSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358118 1277224704 /nfs/dbraw/zinc/22/47/04/1277224704.db2.gz AETWHAFZDGXNPD-HNNXBMFYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358118 1277224712 /nfs/dbraw/zinc/22/47/12/1277224712.db2.gz AETWHAFZDGXNPD-HNNXBMFYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358636 1277227742 /nfs/dbraw/zinc/22/77/42/1277227742.db2.gz HAOJKPKQOXURCZ-LSDHHAIUSA-N 2 2 370.461 0.687 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358636 1277227755 /nfs/dbraw/zinc/22/77/55/1277227755.db2.gz HAOJKPKQOXURCZ-LSDHHAIUSA-N 2 2 370.461 0.687 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359353 1277230850 /nfs/dbraw/zinc/23/08/50/1277230850.db2.gz SWQNDLCFXLQGLY-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359353 1277230852 /nfs/dbraw/zinc/23/08/52/1277230852.db2.gz SWQNDLCFXLQGLY-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359353 1277230859 /nfs/dbraw/zinc/23/08/59/1277230859.db2.gz SWQNDLCFXLQGLY-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359353 1277230861 /nfs/dbraw/zinc/23/08/61/1277230861.db2.gz SWQNDLCFXLQGLY-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359254 1277231959 /nfs/dbraw/zinc/23/19/59/1277231959.db2.gz QRRWOIJXVTXMOX-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359254 1277231960 /nfs/dbraw/zinc/23/19/60/1277231960.db2.gz QRRWOIJXVTXMOX-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359254 1277231961 /nfs/dbraw/zinc/23/19/61/1277231961.db2.gz QRRWOIJXVTXMOX-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359254 1277231962 /nfs/dbraw/zinc/23/19/62/1277231962.db2.gz QRRWOIJXVTXMOX-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366034 1277245256 /nfs/dbraw/zinc/24/52/56/1277245256.db2.gz NCZNWQJZDWALLJ-DOMZBBRYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366034 1277245259 /nfs/dbraw/zinc/24/52/59/1277245259.db2.gz NCZNWQJZDWALLJ-DOMZBBRYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367103 1277250456 /nfs/dbraw/zinc/25/04/56/1277250456.db2.gz PYVMSZZYFHFIGF-YJBOKZPZSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367103 1277250458 /nfs/dbraw/zinc/25/04/58/1277250458.db2.gz PYVMSZZYFHFIGF-YJBOKZPZSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579372242 1277256228 /nfs/dbraw/zinc/25/62/28/1277256228.db2.gz GWZFXBRCLWGQIQ-SEEARECTSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579372242 1277256234 /nfs/dbraw/zinc/25/62/34/1277256234.db2.gz GWZFXBRCLWGQIQ-SEEARECTSA-N 2 2 370.461 0.617 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC001579484903 1277394736 /nfs/dbraw/zinc/39/47/36/1277394736.db2.gz RTGMSIQINUKHDH-SMDDNHRTSA-N 2 2 356.264 0.974 20 0 FCADLP CCN(C)C(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713783754 1287297549 /nfs/dbraw/zinc/29/75/49/1287297549.db2.gz VNDZJHCVUBOQJF-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP [NH3+]C1CC[NH+](CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC001580190554 1278032019 /nfs/dbraw/zinc/03/20/19/1278032019.db2.gz HIRVEGMMWVXBTH-UHFFFAOYSA-N 2 2 352.464 0.138 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001580270476 1278062565 /nfs/dbraw/zinc/06/25/65/1278062565.db2.gz CUHPVLANHDNEQD-NSHDSACASA-N 2 2 358.381 0.497 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001580274720 1278069239 /nfs/dbraw/zinc/06/92/39/1278069239.db2.gz YJGHLBRMNSWIGS-LBPRGKRZSA-N 2 2 354.418 0.437 20 0 FCADLP O=S1(=O)CC[C@H]([N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)C1 ZINC001580872778 1279077167 /nfs/dbraw/zinc/07/71/67/1279077167.db2.gz KTRRYHYMEBITDH-NXOAAHMSSA-N 2 2 358.504 0.423 20 0 FCADLP O=S1(=O)CC[C@H]([N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)C1 ZINC001580872778 1279077175 /nfs/dbraw/zinc/07/71/75/1279077175.db2.gz KTRRYHYMEBITDH-NXOAAHMSSA-N 2 2 358.504 0.423 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580941954 1279149448 /nfs/dbraw/zinc/14/94/48/1279149448.db2.gz VHCVYULTOUUZMY-LLVKDONJSA-N 2 2 369.433 0.785 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580943212 1279151665 /nfs/dbraw/zinc/15/16/65/1279151665.db2.gz AKYTZYPFJGBMQC-LLVKDONJSA-N 2 2 369.433 0.785 20 0 FCADLP Cc1cc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958490 1279162154 /nfs/dbraw/zinc/16/21/54/1279162154.db2.gz CTTSCYHYMTVWIA-GFCCVEGCSA-N 2 2 353.390 0.162 20 0 FCADLP Cc1cc(N[C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991311 1279194573 /nfs/dbraw/zinc/19/45/73/1279194573.db2.gz YHDGKMVMCSKEHD-NEPJUHHUSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1cc(N[C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995040 1279205453 /nfs/dbraw/zinc/20/54/53/1279205453.db2.gz WDNKZJLIPKNTDU-NSHDSACASA-N 2 2 355.406 0.217 20 0 FCADLP Cc1cc(N[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995936 1279208216 /nfs/dbraw/zinc/20/82/16/1279208216.db2.gz RVHWMOZDCSIJRC-ZDUSSCGKSA-N 2 2 369.433 0.586 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338535 1279717693 /nfs/dbraw/zinc/71/76/93/1279717693.db2.gz ORGPJEATQRLJRT-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338535 1279717700 /nfs/dbraw/zinc/71/77/00/1279717700.db2.gz ORGPJEATQRLJRT-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001581338265 1279718166 /nfs/dbraw/zinc/71/81/66/1279718166.db2.gz FWXOQRKHTPIFRB-NSHDSACASA-N 2 2 372.408 0.805 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581339226 1279720801 /nfs/dbraw/zinc/72/08/01/1279720801.db2.gz CKONCUSZRYAWGY-UHFFFAOYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581562072 1280136132 /nfs/dbraw/zinc/13/61/32/1280136132.db2.gz HRYUFDIKBUIGOH-ZDUSSCGKSA-N 2 2 367.417 0.504 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581563678 1280141223 /nfs/dbraw/zinc/14/12/23/1280141223.db2.gz PPJMVMRFGSMBEV-NSHDSACASA-N 2 2 372.408 0.805 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001581563712 1280141452 /nfs/dbraw/zinc/14/14/52/1280141452.db2.gz LILFILDPUDODMF-RISCZKNCSA-N 2 2 367.417 0.290 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603523011 1287403080 /nfs/dbraw/zinc/40/30/80/1287403080.db2.gz ABQZJPPOEVJEMQ-SWLSCSKDSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603523011 1287403085 /nfs/dbraw/zinc/40/30/85/1287403085.db2.gz ABQZJPPOEVJEMQ-SWLSCSKDSA-N 2 2 358.450 0.687 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582059001 1280987691 /nfs/dbraw/zinc/98/76/91/1280987691.db2.gz PQIYXOGMVLDIED-IYBDPMFKSA-N 2 2 366.429 0.959 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582099746 1281056475 /nfs/dbraw/zinc/05/64/75/1281056475.db2.gz ZXQPZZAZJNCYGT-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582099746 1281056482 /nfs/dbraw/zinc/05/64/82/1281056482.db2.gz ZXQPZZAZJNCYGT-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582101029 1281057952 /nfs/dbraw/zinc/05/79/52/1281057952.db2.gz ZYTDSLQCFVEPRS-JOCQHMNTSA-N 2 2 356.434 0.086 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582169324 1281135583 /nfs/dbraw/zinc/13/55/83/1281135583.db2.gz MXGARYYRIMHWIE-CYBMUJFWSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582169267 1281136174 /nfs/dbraw/zinc/13/61/74/1281136174.db2.gz KMNNBCIHBQJZOP-MRXNPFEDSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582170812 1281138287 /nfs/dbraw/zinc/13/82/87/1281138287.db2.gz XPENNLYXHVJZBO-UHFFFAOYSA-N 2 2 352.402 0.571 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582171471 1281140241 /nfs/dbraw/zinc/14/02/41/1281140241.db2.gz MRXVWPXXOCNTPP-CTYIDZIISA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582171652 1281141512 /nfs/dbraw/zinc/14/15/12/1281141512.db2.gz UVNGSABAQGWWOL-BETUJISGSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582182633 1281159980 /nfs/dbraw/zinc/15/99/80/1281159980.db2.gz LDEBDORWPSWLRJ-ZDUSSCGKSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582182965 1281160006 /nfs/dbraw/zinc/16/00/06/1281160006.db2.gz NDBNQHOIDIERFE-HNNXBMFYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582184033 1281163709 /nfs/dbraw/zinc/16/37/09/1281163709.db2.gz VVVIGMZQLFKXGX-CTYIDZIISA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582195230 1281175040 /nfs/dbraw/zinc/17/50/40/1281175040.db2.gz PYUKJMABDUNNLF-NSHDSACASA-N 2 2 358.431 0.515 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582195126 1281175282 /nfs/dbraw/zinc/17/52/82/1281175282.db2.gz LJVJFNNFIDGTKB-UHFFFAOYSA-N 2 2 366.429 0.798 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582195126 1281175285 /nfs/dbraw/zinc/17/52/85/1281175285.db2.gz LJVJFNNFIDGTKB-UHFFFAOYSA-N 2 2 366.429 0.798 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582195432 1281177475 /nfs/dbraw/zinc/17/74/75/1281177475.db2.gz ZGDIYRNUGDHNRY-HNNXBMFYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001582196486 1281178049 /nfs/dbraw/zinc/17/80/49/1281178049.db2.gz LSUJJUGFBAMTPR-ZDUSSCGKSA-N 2 2 372.458 0.809 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582196846 1281178541 /nfs/dbraw/zinc/17/85/41/1281178541.db2.gz WJLFXQMMENUWKK-CYBMUJFWSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582197356 1281180324 /nfs/dbraw/zinc/18/03/24/1281180324.db2.gz LWKWBUQRENBJTO-UHFFFAOYSA-N 2 2 353.390 0.243 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001582313784 1281323043 /nfs/dbraw/zinc/32/30/43/1281323043.db2.gz NVAMTTJNDOOQRS-CAOSSQGBSA-N 2 2 359.474 0.677 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001582313784 1281323049 /nfs/dbraw/zinc/32/30/49/1281323049.db2.gz NVAMTTJNDOOQRS-CAOSSQGBSA-N 2 2 359.474 0.677 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001632664219 1282196428 /nfs/dbraw/zinc/19/64/28/1282196428.db2.gz LSJVQHWGWBADET-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001632664219 1282196433 /nfs/dbraw/zinc/19/64/33/1282196433.db2.gz LSJVQHWGWBADET-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC001639386810 1282785510 /nfs/dbraw/zinc/78/55/10/1282785510.db2.gz RZAVDJDTJAXZPC-JKSUJKDBSA-N 2 2 352.479 0.038 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC001639386810 1282785514 /nfs/dbraw/zinc/78/55/14/1282785514.db2.gz RZAVDJDTJAXZPC-JKSUJKDBSA-N 2 2 352.479 0.038 20 0 FCADLP CC(C)(C[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001589286277 1282828265 /nfs/dbraw/zinc/82/82/65/1282828265.db2.gz DSIDRXOKZOBNMP-AWEZNQCLSA-N 2 2 357.418 0.828 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001589828109 1283066307 /nfs/dbraw/zinc/06/63/07/1283066307.db2.gz MMJNRHGBQVIYHI-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)n2)ccn1 ZINC001591020815 1284078479 /nfs/dbraw/zinc/07/84/79/1284078479.db2.gz IDVMRYMRCNUQIW-UHFFFAOYSA-N 2 2 354.418 0.887 20 0 FCADLP C[N@H+](CC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001591038833 1284100511 /nfs/dbraw/zinc/10/05/11/1284100511.db2.gz XYPFHYIDYIJRRP-IHWYPQMZSA-N 2 2 356.434 0.252 20 0 FCADLP C[N@@H+](CC(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001591038833 1284100517 /nfs/dbraw/zinc/10/05/17/1284100517.db2.gz XYPFHYIDYIJRRP-IHWYPQMZSA-N 2 2 356.434 0.252 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001591045084 1284104108 /nfs/dbraw/zinc/10/41/08/1284104108.db2.gz FWRCBGHFNHOVQW-QGZVFWFLSA-N 2 2 372.473 0.917 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1)C1CC1 ZINC001591045084 1284104109 /nfs/dbraw/zinc/10/41/09/1284104109.db2.gz FWRCBGHFNHOVQW-QGZVFWFLSA-N 2 2 372.473 0.917 20 0 FCADLP CN(CCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001591084477 1284154297 /nfs/dbraw/zinc/15/42/97/1284154297.db2.gz VASRHEADRGXCBQ-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cc1c[nH+]cn1C ZINC001591101435 1284170167 /nfs/dbraw/zinc/17/01/67/1284170167.db2.gz HDPJNTWTDYOXMS-UHFFFAOYSA-N 2 2 372.408 0.530 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)ccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001591180898 1284280155 /nfs/dbraw/zinc/28/01/55/1284280155.db2.gz QHSGYXUHJPKZTO-OAHLLOKOSA-N 2 2 370.461 0.502 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)ccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001591180898 1284280163 /nfs/dbraw/zinc/28/01/63/1284280163.db2.gz QHSGYXUHJPKZTO-OAHLLOKOSA-N 2 2 370.461 0.502 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591189184 1284304471 /nfs/dbraw/zinc/30/44/71/1284304471.db2.gz IHDPIDQLRPITOO-JZIMQPMSSA-N 2 2 356.434 0.252 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591189184 1284304478 /nfs/dbraw/zinc/30/44/78/1284304478.db2.gz IHDPIDQLRPITOO-JZIMQPMSSA-N 2 2 356.434 0.252 20 0 FCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001604680959 1287726589 /nfs/dbraw/zinc/72/65/89/1287726589.db2.gz SODPLMVVZGMRGV-SFHVURJKSA-N 2 2 373.461 0.584 20 0 FCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001604680959 1287726602 /nfs/dbraw/zinc/72/66/02/1287726602.db2.gz SODPLMVVZGMRGV-SFHVURJKSA-N 2 2 373.461 0.584 20 0 FCADLP CN(C)c1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(-c2nn[nH]n2)c1 ZINC001604686771 1287733016 /nfs/dbraw/zinc/73/30/16/1287733016.db2.gz UGOZGVWGSRTLSG-UHFFFAOYSA-N 2 2 374.493 0.546 20 0 FCADLP CN(C)c1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(-c2nn[nH]n2)c1 ZINC001604686771 1287733023 /nfs/dbraw/zinc/73/30/23/1287733023.db2.gz UGOZGVWGSRTLSG-UHFFFAOYSA-N 2 2 374.493 0.546 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC/C=C\CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001592048116 1285092091 /nfs/dbraw/zinc/09/20/91/1285092091.db2.gz ZUJNBBHLSBFZND-ARJAWSKDSA-N 2 2 367.417 0.281 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001592418703 1285344489 /nfs/dbraw/zinc/34/44/89/1285344489.db2.gz HFXPMDRMNISDSV-UHFFFAOYSA-N 2 2 353.434 0.979 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592419535 1285344954 /nfs/dbraw/zinc/34/49/54/1285344954.db2.gz KVWFASSCSXDDDJ-HNNXBMFYSA-N 2 2 352.402 0.375 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001592419037 1285345949 /nfs/dbraw/zinc/34/59/49/1285345949.db2.gz TWUDGMMTCBPMDY-MRXNPFEDSA-N 2 2 366.429 0.765 20 0 FCADLP Cc1onc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1-c1nn[nH]n1 ZINC001592516212 1285441779 /nfs/dbraw/zinc/44/17/79/1285441779.db2.gz AEXQBRVTLVOSEI-NSHDSACASA-N 2 2 364.454 0.094 20 0 FCADLP Cc1onc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1-c1nn[nH]n1 ZINC001592516212 1285441787 /nfs/dbraw/zinc/44/17/87/1285441787.db2.gz AEXQBRVTLVOSEI-NSHDSACASA-N 2 2 364.454 0.094 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001592584587 1285509465 /nfs/dbraw/zinc/50/94/65/1285509465.db2.gz BZKMRIUBHNVARI-UHFFFAOYSA-N 2 2 372.408 0.578 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O)[NH+](C)C ZINC001702392292 1285627023 /nfs/dbraw/zinc/62/70/23/1285627023.db2.gz QNQOMMHCJSZPBA-PMPSAXMXSA-N 2 2 359.430 0.205 20 0 FCADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001702485741 1285691720 /nfs/dbraw/zinc/69/17/20/1285691720.db2.gz GMABZYSQWCXLEX-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001702485741 1285691723 /nfs/dbraw/zinc/69/17/23/1285691723.db2.gz GMABZYSQWCXLEX-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592842144 1285748954 /nfs/dbraw/zinc/74/89/54/1285748954.db2.gz ZNADYVDRWPVYFI-UHFFFAOYSA-N 2 2 360.447 0.811 20 0 FCADLP O=C(NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001593000166 1285881825 /nfs/dbraw/zinc/88/18/25/1285881825.db2.gz JKISRDDKMWZVQA-KRWDZBQOSA-N 2 2 367.457 0.509 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001703958984 1286167223 /nfs/dbraw/zinc/16/72/23/1286167223.db2.gz NGPFKPPBPIEFHR-OWCLPIDISA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001703958984 1286167228 /nfs/dbraw/zinc/16/72/28/1286167228.db2.gz NGPFKPPBPIEFHR-OWCLPIDISA-N 2 2 361.490 0.956 20 0 FCADLP CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001704256136 1286207692 /nfs/dbraw/zinc/20/76/92/1286207692.db2.gz LCGBLEYYSFBVCN-OAGGEKHMSA-N 2 2 359.474 0.440 20 0 FCADLP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](CCO)CC3)c2c1 ZINC001605310965 1287924094 /nfs/dbraw/zinc/92/40/94/1287924094.db2.gz DKPVDSVESRABCG-UHFFFAOYSA-N 2 2 355.402 0.538 20 0 FCADLP Cc1cc(NCCCN(C)C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605734075 1288066507 /nfs/dbraw/zinc/06/65/07/1288066507.db2.gz VCRCAXNLCGUANR-UHFFFAOYSA-N 2 2 355.406 0.218 20 0 FCADLP Cc1cc(NCCCNC(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605733958 1288066702 /nfs/dbraw/zinc/06/67/02/1288066702.db2.gz PYDUCOIDMVHDFW-UHFFFAOYSA-N 2 2 369.433 0.587 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001606097325 1288162835 /nfs/dbraw/zinc/16/28/35/1288162835.db2.gz UIQAFIMHNTZNMZ-HNNXBMFYSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001606097325 1288162837 /nfs/dbraw/zinc/16/28/37/1288162837.db2.gz UIQAFIMHNTZNMZ-HNNXBMFYSA-N 2 2 366.429 0.762 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNC(=O)C1CC[NH+](C)CC1 ZINC001721601366 1288356282 /nfs/dbraw/zinc/35/62/82/1288356282.db2.gz GPRYVINVKRBVAY-FVQBIDKESA-N 2 2 361.490 0.734 20 0 FCADLP O=C(CC[NH2+]C[C@H]1CCC[N@H+]1CCCO)Nc1cccc(-c2nn[nH]n2)c1 ZINC001606524172 1288361740 /nfs/dbraw/zinc/36/17/40/1288361740.db2.gz OQDQWKWEAHPBDQ-MRXNPFEDSA-N 2 2 373.461 0.632 20 0 FCADLP O=C(CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO)Nc1cccc(-c2nn[nH]n2)c1 ZINC001606524172 1288361742 /nfs/dbraw/zinc/36/17/42/1288361742.db2.gz OQDQWKWEAHPBDQ-MRXNPFEDSA-N 2 2 373.461 0.632 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001606614226 1288408926 /nfs/dbraw/zinc/40/89/26/1288408926.db2.gz YKMNOOGYIZSFFC-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606614806 1288409644 /nfs/dbraw/zinc/40/96/44/1288409644.db2.gz PKMBXKPUXMGDPV-HDJSIYSDSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001606614527 1288409878 /nfs/dbraw/zinc/40/98/78/1288409878.db2.gz GAMPBAYYRJNSIT-JOCQHMNTSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606621020 1288413422 /nfs/dbraw/zinc/41/34/22/1288413422.db2.gz YMNFUXIYGSTWIT-OLZOCXBDSA-N 2 2 367.417 0.277 20 0 FCADLP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725992495 1288484901 /nfs/dbraw/zinc/48/49/01/1288484901.db2.gz QCFLMIXQUYWARY-FVQBIDKESA-N 2 2 361.490 0.971 20 0 FCADLP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725992495 1288484904 /nfs/dbraw/zinc/48/49/04/1288484904.db2.gz QCFLMIXQUYWARY-FVQBIDKESA-N 2 2 361.490 0.971 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095762 1288660166 /nfs/dbraw/zinc/66/01/66/1288660166.db2.gz XZRBKUTVSFSCPQ-RRFJBIMHSA-N 2 2 374.445 0.059 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095762 1288660168 /nfs/dbraw/zinc/66/01/68/1288660168.db2.gz XZRBKUTVSFSCPQ-RRFJBIMHSA-N 2 2 374.445 0.059 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001691921807 1289343572 /nfs/dbraw/zinc/34/35/72/1289343572.db2.gz PLNCOJGEVUMPCQ-LCGIIJARSA-N 2 2 359.474 0.677 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001692080996 1289387494 /nfs/dbraw/zinc/38/74/94/1289387494.db2.gz YQIJFDJROBVRBT-CVEARBPZSA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001692080996 1289387499 /nfs/dbraw/zinc/38/74/99/1289387499.db2.gz YQIJFDJROBVRBT-CVEARBPZSA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001692080996 1289387504 /nfs/dbraw/zinc/38/75/04/1289387504.db2.gz YQIJFDJROBVRBT-CVEARBPZSA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001692080996 1289387510 /nfs/dbraw/zinc/38/75/10/1289387510.db2.gz YQIJFDJROBVRBT-CVEARBPZSA-N 2 2 363.510 0.705 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)CC[N@@H+]1C ZINC001738761016 1289724049 /nfs/dbraw/zinc/72/40/49/1289724049.db2.gz HTOKICJLHJZXLE-IJEWVQPXSA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)CC[N@H+]1C ZINC001738761016 1289724057 /nfs/dbraw/zinc/72/40/57/1289724057.db2.gz HTOKICJLHJZXLE-IJEWVQPXSA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001621967725 1290075431 /nfs/dbraw/zinc/07/54/31/1290075431.db2.gz PBYHQRVWNVDMMP-SJLPKXTDSA-N 2 2 366.531 0.979 20 0 FCADLP C[C@@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001621967725 1290075442 /nfs/dbraw/zinc/07/54/42/1290075442.db2.gz PBYHQRVWNVDMMP-SJLPKXTDSA-N 2 2 366.531 0.979 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC001623682026 1290230689 /nfs/dbraw/zinc/23/06/89/1290230689.db2.gz DFVJAGDPOVTTLM-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC001627086406 1290436738 /nfs/dbraw/zinc/43/67/38/1290436738.db2.gz YCAZPTNYXGABHH-UHFFFAOYSA-N 2 2 358.446 0.924 20 0 FCADLP CN(C)C(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001752518598 1290613799 /nfs/dbraw/zinc/61/37/99/1290613799.db2.gz WDYJSGHMDBITBQ-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP CN(C)C(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001752518598 1290613805 /nfs/dbraw/zinc/61/38/05/1290613805.db2.gz WDYJSGHMDBITBQ-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP C[C@H](O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001752746262 1290614891 /nfs/dbraw/zinc/61/48/91/1290614891.db2.gz POOSYBVBJRPGBH-AVEIZBFRSA-N 2 2 369.506 0.264 20 0 FCADLP Cn1nnc2cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)ccc21 ZINC001753914446 1290624672 /nfs/dbraw/zinc/62/46/72/1290624672.db2.gz SEKVETLGYAYTFY-MGPQQGTHSA-N 2 2 369.429 0.062 20 0 FCADLP Cn1nnc2cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)ccc21 ZINC001753914446 1290624684 /nfs/dbraw/zinc/62/46/84/1290624684.db2.gz SEKVETLGYAYTFY-MGPQQGTHSA-N 2 2 369.429 0.062 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001754873691 1290633990 /nfs/dbraw/zinc/63/39/90/1290633990.db2.gz TUKUFZNVGBGMPO-KLZNWCGWSA-N 2 2 359.474 0.583 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001754873691 1290633999 /nfs/dbraw/zinc/63/39/99/1290633999.db2.gz TUKUFZNVGBGMPO-KLZNWCGWSA-N 2 2 359.474 0.583 20 0 FCADLP COCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001755178205 1290640023 /nfs/dbraw/zinc/64/00/23/1290640023.db2.gz UBXCESKBDVIKGR-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP COCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001755178205 1290640032 /nfs/dbraw/zinc/64/00/32/1290640032.db2.gz UBXCESKBDVIKGR-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001758269508 1290831166 /nfs/dbraw/zinc/83/11/66/1290831166.db2.gz CGWSTQLFHLVOQQ-ARFHVFGLSA-N 2 2 361.490 0.925 20 0 FCADLP c1ncn(-c2ccccc2C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC001655597574 1291477049 /nfs/dbraw/zinc/47/70/49/1291477049.db2.gz SNCTZPGBQSMMBQ-SFHVURJKSA-N 2 2 356.474 0.763 20 0 FCADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001656449450 1291524725 /nfs/dbraw/zinc/52/47/25/1291524725.db2.gz JPNBTCRRCIJTME-GOSISDBHSA-N 2 2 356.474 0.968 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cnn(C)c(=O)c3)CC2)CC1 ZINC001673424193 1292106688 /nfs/dbraw/zinc/10/66/88/1292106688.db2.gz SOKWWVJPXFFQSP-UHFFFAOYSA-N 2 2 362.478 0.804 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cnn(C)c(=O)c3)CC2)CC1 ZINC001673424193 1292106694 /nfs/dbraw/zinc/10/66/94/1292106694.db2.gz SOKWWVJPXFFQSP-UHFFFAOYSA-N 2 2 362.478 0.804 20 0 FCADLP CC[N@@H+](CC(=O)NC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001674348488 1292137909 /nfs/dbraw/zinc/13/79/09/1292137909.db2.gz WEWWNZPNPAIMEW-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CC[N@H+](CC(=O)NC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001674348488 1292137917 /nfs/dbraw/zinc/13/79/17/1292137917.db2.gz WEWWNZPNPAIMEW-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001685105912 1292429886 /nfs/dbraw/zinc/42/98/86/1292429886.db2.gz COLUBFVQWRPPRW-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001685105912 1292429893 /nfs/dbraw/zinc/42/98/93/1292429893.db2.gz COLUBFVQWRPPRW-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001688565972 1294509857 /nfs/dbraw/zinc/50/98/57/1294509857.db2.gz HZEFDFHBIRVMQL-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001688565972 1294509861 /nfs/dbraw/zinc/50/98/61/1294509861.db2.gz HZEFDFHBIRVMQL-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP CCCn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001688992063 1294561633 /nfs/dbraw/zinc/56/16/33/1294561633.db2.gz FVKKZNNGJIDYTH-LSDHHAIUSA-N 2 2 360.466 0.663 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001688992052 1294562151 /nfs/dbraw/zinc/56/21/51/1294562151.db2.gz FJLJDDCUPZDLQJ-UONOGXRCSA-N 2 2 358.450 0.588 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001689004963 1294565246 /nfs/dbraw/zinc/56/52/46/1294565246.db2.gz JFBMJBJMHCMJJC-RRFJBIMHSA-N 2 2 368.503 0.652 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001689085669 1294603318 /nfs/dbraw/zinc/60/33/18/1294603318.db2.gz ZAAMAPQNUBEDKV-PMPSAXMXSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001689085669 1294603329 /nfs/dbraw/zinc/60/33/29/1294603329.db2.gz ZAAMAPQNUBEDKV-PMPSAXMXSA-N 2 2 354.495 0.058 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001689092855 1294612602 /nfs/dbraw/zinc/61/26/02/1294612602.db2.gz GEWQYQIISRXOJK-OAGGEKHMSA-N 2 2 361.490 0.750 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001689095735 1294613604 /nfs/dbraw/zinc/61/36/04/1294613604.db2.gz NHCUDVNAXQQDMO-MCIONIFRSA-N 2 2 364.450 0.073 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1)CS(C)(=O)=O ZINC001689100008 1294617039 /nfs/dbraw/zinc/61/70/39/1294617039.db2.gz NQPYLKRIEGTCLM-FMKPAKJESA-N 2 2 370.519 0.850 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCCC4)CC[C@@H]2C1 ZINC001689230240 1294690071 /nfs/dbraw/zinc/69/00/71/1294690071.db2.gz UAXCYCXYDJSCMA-CVEARBPZSA-N 2 2 360.506 0.846 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCCC4)CC[C@@H]2C1 ZINC001689230240 1294690078 /nfs/dbraw/zinc/69/00/78/1294690078.db2.gz UAXCYCXYDJSCMA-CVEARBPZSA-N 2 2 360.506 0.846 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001689336386 1294759791 /nfs/dbraw/zinc/75/97/91/1294759791.db2.gz MBCBDJQDCPDJED-BBWFWOEESA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCCC2)[C@@H]1C ZINC001689336386 1294759801 /nfs/dbraw/zinc/75/98/01/1294759801.db2.gz MBCBDJQDCPDJED-BBWFWOEESA-N 2 2 366.506 0.156 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690516867 1294868681 /nfs/dbraw/zinc/86/86/81/1294868681.db2.gz DCZJYSRQPPMPQL-PTENTFFRSA-N 2 2 360.458 0.755 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690516867 1294868690 /nfs/dbraw/zinc/86/86/90/1294868690.db2.gz DCZJYSRQPPMPQL-PTENTFFRSA-N 2 2 360.458 0.755 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001690516867 1294868702 /nfs/dbraw/zinc/86/87/02/1294868702.db2.gz DCZJYSRQPPMPQL-PTENTFFRSA-N 2 2 360.458 0.755 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001690516867 1294868715 /nfs/dbraw/zinc/86/87/15/1294868715.db2.gz DCZJYSRQPPMPQL-PTENTFFRSA-N 2 2 360.458 0.755 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001690739547 1294882796 /nfs/dbraw/zinc/88/27/96/1294882796.db2.gz SUHGECAWEKPRTD-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001691757931 1294918382 /nfs/dbraw/zinc/91/83/82/1294918382.db2.gz YKNWTHLORREKOF-HIFRSBDPSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)[C@@H]1C ZINC001691757931 1294918394 /nfs/dbraw/zinc/91/83/94/1294918394.db2.gz YKNWTHLORREKOF-HIFRSBDPSA-N 2 2 368.503 0.595 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164622422 719132133 /nfs/dbraw/zinc/13/21/33/719132133.db2.gz OTRYZTXJKSSHEJ-GOSISDBHSA-N 2 2 367.453 0.986 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164622422 719132138 /nfs/dbraw/zinc/13/21/38/719132138.db2.gz OTRYZTXJKSSHEJ-GOSISDBHSA-N 2 2 367.453 0.986 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164625334 719133384 /nfs/dbraw/zinc/13/33/84/719133384.db2.gz WZBQUMVYIYSXEU-GOSISDBHSA-N 2 2 367.453 0.986 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164625334 719133387 /nfs/dbraw/zinc/13/33/87/719133387.db2.gz WZBQUMVYIYSXEU-GOSISDBHSA-N 2 2 367.453 0.986 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164634461 719149981 /nfs/dbraw/zinc/14/99/81/719149981.db2.gz VCNFNHSGBUHSDR-VXGBXAGGSA-N 2 2 353.492 0.097 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164634461 719149987 /nfs/dbraw/zinc/14/99/87/719149987.db2.gz VCNFNHSGBUHSDR-VXGBXAGGSA-N 2 2 353.492 0.097 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001164703346 719842924 /nfs/dbraw/zinc/84/29/24/719842924.db2.gz QSIZEZBHIOFQAC-UZLBHIALSA-N 2 2 374.485 0.960 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4[nH]c(C)cc43)C2)C1 ZINC001164720047 720233770 /nfs/dbraw/zinc/23/37/70/720233770.db2.gz QTIHTBVQQWFPJL-LJQANCHMSA-N 2 2 372.473 0.931 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4[nH]c(C)cc43)C2)C1 ZINC001164720047 720233784 /nfs/dbraw/zinc/23/37/84/720233784.db2.gz QTIHTBVQQWFPJL-LJQANCHMSA-N 2 2 372.473 0.931 20 0 FCADLP C[NH+]1CCN(c2nccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164968153 722076449 /nfs/dbraw/zinc/07/64/49/722076449.db2.gz TYOSOAQIDLCTKG-CALCHBBNSA-N 2 2 358.490 0.528 20 0 FCADLP C[NH+]1CCN(c2nccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164968153 722076451 /nfs/dbraw/zinc/07/64/51/722076451.db2.gz TYOSOAQIDLCTKG-CALCHBBNSA-N 2 2 358.490 0.528 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001070572950 837659724 /nfs/dbraw/zinc/65/97/24/837659724.db2.gz SOKKVEKZDMVWPW-BFHYXJOUSA-N 2 2 350.467 0.733 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001070572950 837659727 /nfs/dbraw/zinc/65/97/27/837659727.db2.gz SOKKVEKZDMVWPW-BFHYXJOUSA-N 2 2 350.467 0.733 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCOC)CC2)CC[N@@H+]1C ZINC001070965602 837705086 /nfs/dbraw/zinc/70/50/86/837705086.db2.gz KLUURQKNTHBDML-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCOC)CC2)CC[N@H+]1C ZINC001070965602 837705089 /nfs/dbraw/zinc/70/50/89/837705089.db2.gz KLUURQKNTHBDML-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](CCOC)CC2)CC[NH+]1C ZINC001070965602 837705098 /nfs/dbraw/zinc/70/50/98/837705098.db2.gz KLUURQKNTHBDML-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC(=O)NCC[N@H+](CCOC)CC2)CC[NH+]1C ZINC001070965602 837705107 /nfs/dbraw/zinc/70/51/07/837705107.db2.gz KLUURQKNTHBDML-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccns3)CCCO2)O1 ZINC001073660994 837784190 /nfs/dbraw/zinc/78/41/90/837784190.db2.gz UBNUKRHVOKYNED-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccns3)CCCO2)O1 ZINC001073660994 837784197 /nfs/dbraw/zinc/78/41/97/837784197.db2.gz UBNUKRHVOKYNED-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccns3)CCCO2)O1 ZINC001073660994 837784205 /nfs/dbraw/zinc/78/42/05/837784205.db2.gz UBNUKRHVOKYNED-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccns3)CCCO2)O1 ZINC001073660994 837784209 /nfs/dbraw/zinc/78/42/09/837784209.db2.gz UBNUKRHVOKYNED-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)s1 ZINC001074711291 837826543 /nfs/dbraw/zinc/82/65/43/837826543.db2.gz WKVZFUTYZDHNTN-ZOBORPQBSA-N 2 2 367.519 0.899 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)s1 ZINC001074711291 837826554 /nfs/dbraw/zinc/82/65/54/837826554.db2.gz WKVZFUTYZDHNTN-ZOBORPQBSA-N 2 2 367.519 0.899 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001099315231 844019092 /nfs/dbraw/zinc/01/90/92/844019092.db2.gz JDOJNNPJZRWTLU-GHMZBOCLSA-N 2 2 361.368 0.471 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099349238 844038612 /nfs/dbraw/zinc/03/86/12/844038612.db2.gz UYABMCVWYRWFAV-VXGBXAGGSA-N 2 2 357.340 0.154 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308519 844141157 /nfs/dbraw/zinc/14/11/57/844141157.db2.gz PYVGLIKQJVZCGT-RKVPGOIHSA-N 2 2 350.463 0.140 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308519 844141159 /nfs/dbraw/zinc/14/11/59/844141159.db2.gz PYVGLIKQJVZCGT-RKVPGOIHSA-N 2 2 350.463 0.140 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101375217 844164149 /nfs/dbraw/zinc/16/41/49/844164149.db2.gz HRRCHYDTYYLKLH-VBQJREDUSA-N 2 2 368.503 0.413 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101375217 844164155 /nfs/dbraw/zinc/16/41/55/844164155.db2.gz HRRCHYDTYYLKLH-VBQJREDUSA-N 2 2 368.503 0.413 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643547 837876812 /nfs/dbraw/zinc/87/68/12/837876812.db2.gz BKMGGWFOMXTMAQ-XHSDSOJGSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643547 837876818 /nfs/dbraw/zinc/87/68/18/837876818.db2.gz BKMGGWFOMXTMAQ-XHSDSOJGSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643547 837876824 /nfs/dbraw/zinc/87/68/24/837876824.db2.gz BKMGGWFOMXTMAQ-XHSDSOJGSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643547 837876832 /nfs/dbraw/zinc/87/68/32/837876832.db2.gz BKMGGWFOMXTMAQ-XHSDSOJGSA-N 2 2 364.515 0.857 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)s1 ZINC001075643693 837877281 /nfs/dbraw/zinc/87/72/81/837877281.db2.gz IDJDILUYHNALLU-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)s1 ZINC001075643693 837877290 /nfs/dbraw/zinc/87/72/90/837877290.db2.gz IDJDILUYHNALLU-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)s1 ZINC001075643693 837877298 /nfs/dbraw/zinc/87/72/98/837877298.db2.gz IDJDILUYHNALLU-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)s1 ZINC001075643693 837877304 /nfs/dbraw/zinc/87/73/04/837877304.db2.gz IDJDILUYHNALLU-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075744623 837892491 /nfs/dbraw/zinc/89/24/91/837892491.db2.gz ZQNXLUDFILHZAQ-SOUVJXGZSA-N 2 2 366.487 0.310 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001075744623 837892506 /nfs/dbraw/zinc/89/25/06/837892506.db2.gz ZQNXLUDFILHZAQ-SOUVJXGZSA-N 2 2 366.487 0.310 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](Cc3ccns3)C[C@H]21 ZINC001076365830 837991860 /nfs/dbraw/zinc/99/18/60/837991860.db2.gz PFVYEBCVWOOVRL-GOEBONIOSA-N 2 2 350.488 0.898 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]21 ZINC001076365830 837991867 /nfs/dbraw/zinc/99/18/67/837991867.db2.gz PFVYEBCVWOOVRL-GOEBONIOSA-N 2 2 350.488 0.898 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccns4)C[C@H]32)C1 ZINC001076594936 838026319 /nfs/dbraw/zinc/02/63/19/838026319.db2.gz YPVJIHSNYNCFJJ-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccns4)C[C@H]32)C1 ZINC001076594936 838026326 /nfs/dbraw/zinc/02/63/26/838026326.db2.gz YPVJIHSNYNCFJJ-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccns4)C[C@H]32)C1 ZINC001076594936 838026338 /nfs/dbraw/zinc/02/63/38/838026338.db2.gz YPVJIHSNYNCFJJ-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccns4)C[C@H]32)C1 ZINC001076594936 838026349 /nfs/dbraw/zinc/02/63/49/838026349.db2.gz YPVJIHSNYNCFJJ-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)s1 ZINC001076838938 838129081 /nfs/dbraw/zinc/12/90/81/838129081.db2.gz TXKCPJJNYDQUSU-BZUAXINKSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)s1 ZINC001076838938 838129084 /nfs/dbraw/zinc/12/90/84/838129084.db2.gz TXKCPJJNYDQUSU-BZUAXINKSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)s1 ZINC001076838938 838129086 /nfs/dbraw/zinc/12/90/86/838129086.db2.gz TXKCPJJNYDQUSU-BZUAXINKSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)s1 ZINC001076838938 838129090 /nfs/dbraw/zinc/12/90/90/838129090.db2.gz TXKCPJJNYDQUSU-BZUAXINKSA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)sn1 ZINC001077219560 838823255 /nfs/dbraw/zinc/82/32/55/838823255.db2.gz URYXRLVDSJWDTF-HZPDHXFCSA-N 2 2 364.515 0.989 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)sn1 ZINC001077219560 838823266 /nfs/dbraw/zinc/82/32/66/838823266.db2.gz URYXRLVDSJWDTF-HZPDHXFCSA-N 2 2 364.515 0.989 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237254 838843392 /nfs/dbraw/zinc/84/33/92/838843392.db2.gz DKMVQCWARYYSIQ-OWCLPIDISA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077237254 838843406 /nfs/dbraw/zinc/84/34/06/838843406.db2.gz DKMVQCWARYYSIQ-OWCLPIDISA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237254 838843413 /nfs/dbraw/zinc/84/34/13/838843413.db2.gz DKMVQCWARYYSIQ-OWCLPIDISA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237254 838843417 /nfs/dbraw/zinc/84/34/17/838843417.db2.gz DKMVQCWARYYSIQ-OWCLPIDISA-N 2 2 352.504 0.906 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251817 838851337 /nfs/dbraw/zinc/85/13/37/838851337.db2.gz QGNVYIJHXRGKEH-KBRIMQKVSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251817 838851355 /nfs/dbraw/zinc/85/13/55/838851355.db2.gz QGNVYIJHXRGKEH-KBRIMQKVSA-N 2 2 360.483 0.911 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554108 839030569 /nfs/dbraw/zinc/03/05/69/839030569.db2.gz YNLJLRNNOAOMLN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554108 839030575 /nfs/dbraw/zinc/03/05/75/839030575.db2.gz YNLJLRNNOAOMLN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554108 839030585 /nfs/dbraw/zinc/03/05/85/839030585.db2.gz YNLJLRNNOAOMLN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554108 839030595 /nfs/dbraw/zinc/03/05/95/839030595.db2.gz YNLJLRNNOAOMLN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001102105333 844416589 /nfs/dbraw/zinc/41/65/89/844416589.db2.gz NKHXWLMGFOJGSM-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001102105333 844416597 /nfs/dbraw/zinc/41/65/97/844416597.db2.gz NKHXWLMGFOJGSM-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078006666 839290068 /nfs/dbraw/zinc/29/00/68/839290068.db2.gz AXGKXIICFGZSMR-CYZMBNFOSA-N 2 2 361.273 0.708 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078006666 839290077 /nfs/dbraw/zinc/29/00/77/839290077.db2.gz AXGKXIICFGZSMR-CYZMBNFOSA-N 2 2 361.273 0.708 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001078174244 839380157 /nfs/dbraw/zinc/38/01/57/839380157.db2.gz GHCJMQBTAOMYAJ-CSMYWGQOSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078174244 839380129 /nfs/dbraw/zinc/38/01/29/839380129.db2.gz GHCJMQBTAOMYAJ-CSMYWGQOSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001078174244 839380143 /nfs/dbraw/zinc/38/01/43/839380143.db2.gz GHCJMQBTAOMYAJ-CSMYWGQOSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001078174244 839380172 /nfs/dbraw/zinc/38/01/72/839380172.db2.gz GHCJMQBTAOMYAJ-CSMYWGQOSA-N 2 2 367.877 0.962 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175630 844435207 /nfs/dbraw/zinc/43/52/07/844435207.db2.gz KCOUVLQHBXRAIZ-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175630 844435210 /nfs/dbraw/zinc/43/52/10/844435210.db2.gz KCOUVLQHBXRAIZ-HZPDHXFCSA-N 2 2 352.479 0.700 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC001078403839 839457117 /nfs/dbraw/zinc/45/71/17/839457117.db2.gz KESYVUHPFFEYPS-OWCLPIDISA-N 2 2 367.519 0.976 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC001078403839 839457120 /nfs/dbraw/zinc/45/71/20/839457120.db2.gz KESYVUHPFFEYPS-OWCLPIDISA-N 2 2 367.519 0.976 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405327 839457816 /nfs/dbraw/zinc/45/78/16/839457816.db2.gz KPHSUSLNQPUUCW-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405327 839457822 /nfs/dbraw/zinc/45/78/22/839457822.db2.gz KPHSUSLNQPUUCW-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102204998 844443976 /nfs/dbraw/zinc/44/39/76/844443976.db2.gz GOJUYFCSHLZLLR-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102204998 844443978 /nfs/dbraw/zinc/44/39/78/844443978.db2.gz GOJUYFCSHLZLLR-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102314406 844464342 /nfs/dbraw/zinc/46/43/42/844464342.db2.gz GOIWIZNCFUMBSP-UEQMNGJNSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001102314406 844464350 /nfs/dbraw/zinc/46/43/50/844464350.db2.gz GOIWIZNCFUMBSP-UEQMNGJNSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102314406 844464357 /nfs/dbraw/zinc/46/43/57/844464357.db2.gz GOIWIZNCFUMBSP-UEQMNGJNSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001102314406 844464363 /nfs/dbraw/zinc/46/43/63/844464363.db2.gz GOIWIZNCFUMBSP-UEQMNGJNSA-N 2 2 367.881 0.894 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080137728 839673307 /nfs/dbraw/zinc/67/33/07/839673307.db2.gz LJPKCDLVNXGBSJ-VHDGCEQUSA-N 2 2 354.476 0.063 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080137728 839673315 /nfs/dbraw/zinc/67/33/15/839673315.db2.gz LJPKCDLVNXGBSJ-VHDGCEQUSA-N 2 2 354.476 0.063 20 0 FCADLP C[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001080177544 839677977 /nfs/dbraw/zinc/67/79/77/839677977.db2.gz PZUPDDRYSRKJAY-VQHPVUNQSA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001080177544 839677982 /nfs/dbraw/zinc/67/79/82/839677982.db2.gz PZUPDDRYSRKJAY-VQHPVUNQSA-N 2 2 357.470 0.662 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325051 839703237 /nfs/dbraw/zinc/70/32/37/839703237.db2.gz OOKPKHRNMGBYOB-YUELXQCFSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325051 839703250 /nfs/dbraw/zinc/70/32/50/839703250.db2.gz OOKPKHRNMGBYOB-YUELXQCFSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325051 839703264 /nfs/dbraw/zinc/70/32/64/839703264.db2.gz OOKPKHRNMGBYOB-YUELXQCFSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325051 839703278 /nfs/dbraw/zinc/70/32/78/839703278.db2.gz OOKPKHRNMGBYOB-YUELXQCFSA-N 2 2 367.519 0.892 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080446417 839727563 /nfs/dbraw/zinc/72/75/63/839727563.db2.gz KKPSMWGNKREWLS-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080446417 839727567 /nfs/dbraw/zinc/72/75/67/839727567.db2.gz KKPSMWGNKREWLS-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080446417 839727575 /nfs/dbraw/zinc/72/75/75/839727575.db2.gz KKPSMWGNKREWLS-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080446417 839727582 /nfs/dbraw/zinc/72/75/82/839727582.db2.gz KKPSMWGNKREWLS-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667399 839774379 /nfs/dbraw/zinc/77/43/79/839774379.db2.gz BUQCRYWRBLOKFP-BRWVUGGUSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667399 839774385 /nfs/dbraw/zinc/77/43/85/839774385.db2.gz BUQCRYWRBLOKFP-BRWVUGGUSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943175 839839526 /nfs/dbraw/zinc/83/95/26/839839526.db2.gz TXQBRKLZUGFTOI-OWCLPIDISA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943175 839839530 /nfs/dbraw/zinc/83/95/30/839839530.db2.gz TXQBRKLZUGFTOI-OWCLPIDISA-N 2 2 357.520 0.344 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997779 839857604 /nfs/dbraw/zinc/85/76/04/839857604.db2.gz KMZDUWGFYHAZPQ-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997779 839857611 /nfs/dbraw/zinc/85/76/11/839857611.db2.gz KMZDUWGFYHAZPQ-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997779 839857618 /nfs/dbraw/zinc/85/76/18/839857618.db2.gz KMZDUWGFYHAZPQ-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001080997779 839857626 /nfs/dbraw/zinc/85/76/26/839857626.db2.gz KMZDUWGFYHAZPQ-OIISXLGYSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102377000 844480769 /nfs/dbraw/zinc/48/07/69/844480769.db2.gz IOEHMLSVBMETKO-MCIONIFRSA-N 2 2 352.483 0.660 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C)[NH+](C)C ZINC001102377000 844480772 /nfs/dbraw/zinc/48/07/72/844480772.db2.gz IOEHMLSVBMETKO-MCIONIFRSA-N 2 2 352.483 0.660 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(COC)no2)C[C@H]1C)[NH+](C)C ZINC001102377057 844480936 /nfs/dbraw/zinc/48/09/36/844480936.db2.gz LUROHLRMMPOAQD-MCIONIFRSA-N 2 2 353.467 0.740 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(COC)no2)C[C@H]1C)[NH+](C)C ZINC001102377057 844480943 /nfs/dbraw/zinc/48/09/43/844480943.db2.gz LUROHLRMMPOAQD-MCIONIFRSA-N 2 2 353.467 0.740 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445873 839932317 /nfs/dbraw/zinc/93/23/17/839932317.db2.gz FIYXWJSPROFGDX-RBSFLKMASA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445873 839932320 /nfs/dbraw/zinc/93/23/20/839932320.db2.gz FIYXWJSPROFGDX-RBSFLKMASA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081445873 839932325 /nfs/dbraw/zinc/93/23/25/839932325.db2.gz FIYXWJSPROFGDX-RBSFLKMASA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081445873 839932329 /nfs/dbraw/zinc/93/23/29/839932329.db2.gz FIYXWJSPROFGDX-RBSFLKMASA-N 2 2 352.504 0.904 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407731 844488831 /nfs/dbraw/zinc/48/88/31/844488831.db2.gz JSHHGLXGPZNCNY-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407731 844488832 /nfs/dbraw/zinc/48/88/32/844488832.db2.gz JSHHGLXGPZNCNY-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959810 840124396 /nfs/dbraw/zinc/12/43/96/840124396.db2.gz YWWOYPRDTLUOAT-JYRJSQKWSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959810 840124399 /nfs/dbraw/zinc/12/43/99/840124399.db2.gz YWWOYPRDTLUOAT-JYRJSQKWSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959810 840124406 /nfs/dbraw/zinc/12/44/06/840124406.db2.gz YWWOYPRDTLUOAT-JYRJSQKWSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959810 840124412 /nfs/dbraw/zinc/12/44/12/840124412.db2.gz YWWOYPRDTLUOAT-JYRJSQKWSA-N 2 2 355.866 0.418 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057836 840166587 /nfs/dbraw/zinc/16/65/87/840166587.db2.gz GAQLSJRNMAELBL-MCIONIFRSA-N 2 2 367.412 0.863 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057836 840166589 /nfs/dbraw/zinc/16/65/89/840166589.db2.gz GAQLSJRNMAELBL-MCIONIFRSA-N 2 2 367.412 0.863 20 0 FCADLP CO[C@@H]1C[NH+](CCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057836 840166593 /nfs/dbraw/zinc/16/65/93/840166593.db2.gz GAQLSJRNMAELBL-MCIONIFRSA-N 2 2 367.412 0.863 20 0 FCADLP CO[C@@H]1C[NH+](CCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082057836 840166597 /nfs/dbraw/zinc/16/65/97/840166597.db2.gz GAQLSJRNMAELBL-MCIONIFRSA-N 2 2 367.412 0.863 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082289956 840280831 /nfs/dbraw/zinc/28/08/31/840280831.db2.gz BOGTTZODGVEBQO-BZUAXINKSA-N 2 2 354.495 0.186 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082289956 840280843 /nfs/dbraw/zinc/28/08/43/840280843.db2.gz BOGTTZODGVEBQO-BZUAXINKSA-N 2 2 354.495 0.186 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371071 840357879 /nfs/dbraw/zinc/35/78/79/840357879.db2.gz QZMHEQWILRHZSL-HUUCEWRRSA-N 2 2 368.503 0.129 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371071 840357886 /nfs/dbraw/zinc/35/78/86/840357886.db2.gz QZMHEQWILRHZSL-HUUCEWRRSA-N 2 2 368.503 0.129 20 0 FCADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459231 840421876 /nfs/dbraw/zinc/42/18/76/840421876.db2.gz UDEXQWWMKGZWIQ-VMGRFDJRSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459231 840421882 /nfs/dbraw/zinc/42/18/82/840421882.db2.gz UDEXQWWMKGZWIQ-VMGRFDJRSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082561964 840466396 /nfs/dbraw/zinc/46/63/96/840466396.db2.gz CWJXMVVNPLGEMI-TZMCWYRMSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082561964 840466399 /nfs/dbraw/zinc/46/63/99/840466399.db2.gz CWJXMVVNPLGEMI-TZMCWYRMSA-N 2 2 350.467 0.556 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513568 844544281 /nfs/dbraw/zinc/54/42/81/844544281.db2.gz QTJTVORLMMZXSK-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513568 844544285 /nfs/dbraw/zinc/54/42/85/844544285.db2.gz QTJTVORLMMZXSK-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082653560 840512769 /nfs/dbraw/zinc/51/27/69/840512769.db2.gz QWWMMHCUQHSKFH-VPSOLEHFSA-N 2 2 363.487 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082653560 840512774 /nfs/dbraw/zinc/51/27/74/840512774.db2.gz QWWMMHCUQHSKFH-VPSOLEHFSA-N 2 2 363.487 0.338 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525330 844553303 /nfs/dbraw/zinc/55/33/03/844553303.db2.gz WUDGKBUJSZSNNL-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525330 844553306 /nfs/dbraw/zinc/55/33/06/844553306.db2.gz WUDGKBUJSZSNNL-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102525330 844553312 /nfs/dbraw/zinc/55/33/12/844553312.db2.gz WUDGKBUJSZSNNL-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525330 844553317 /nfs/dbraw/zinc/55/33/17/844553317.db2.gz WUDGKBUJSZSNNL-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082719565 840535235 /nfs/dbraw/zinc/53/52/35/840535235.db2.gz SUHRACUKTPWGAJ-TZMCWYRMSA-N 2 2 351.451 0.494 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082823930 840574515 /nfs/dbraw/zinc/57/45/15/840574515.db2.gz YIAYGEWOAUBAQK-HZSPNIEDSA-N 2 2 354.476 0.214 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102531819 844555820 /nfs/dbraw/zinc/55/58/20/844555820.db2.gz HKKUHBKJCVMKNY-VHDGCEQUSA-N 2 2 368.503 0.379 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102531819 844555828 /nfs/dbraw/zinc/55/58/28/844555828.db2.gz HKKUHBKJCVMKNY-VHDGCEQUSA-N 2 2 368.503 0.379 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001082921804 840603341 /nfs/dbraw/zinc/60/33/41/840603341.db2.gz KQQLTOMFJYUVKC-ZIAGYGMSSA-N 2 2 351.451 0.291 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923666 840604973 /nfs/dbraw/zinc/60/49/73/840604973.db2.gz WMMIWZOUINUYOV-IJEWVQPXSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001082923674 840605131 /nfs/dbraw/zinc/60/51/31/840605131.db2.gz WSKJOLCVCLDSEW-VNHYZAJKSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)c(C)o3)C2)C1 ZINC001082933640 840613446 /nfs/dbraw/zinc/61/34/46/840613446.db2.gz CDJYWIVNQDNUIF-WQVCFCJDSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)c(C)o3)C2)C1 ZINC001082933640 840613447 /nfs/dbraw/zinc/61/34/47/840613447.db2.gz CDJYWIVNQDNUIF-WQVCFCJDSA-N 2 2 350.463 0.949 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082938712 840614638 /nfs/dbraw/zinc/61/46/38/840614638.db2.gz GWPQHLLZTXBLDQ-YRGRVCCFSA-N 2 2 350.488 0.417 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082938712 840614642 /nfs/dbraw/zinc/61/46/42/840614642.db2.gz GWPQHLLZTXBLDQ-YRGRVCCFSA-N 2 2 350.488 0.417 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ncnn1CC(F)F ZINC001082958038 840620910 /nfs/dbraw/zinc/62/09/10/840620910.db2.gz XJDLRIUBVFYFSX-VXGBXAGGSA-N 2 2 353.377 0.376 20 0 FCADLP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001083148964 840753344 /nfs/dbraw/zinc/75/33/44/840753344.db2.gz QDWIXKZXGKWUBC-BDGQQUFCSA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001083148964 840753350 /nfs/dbraw/zinc/75/33/50/840753350.db2.gz QDWIXKZXGKWUBC-BDGQQUFCSA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]21 ZINC001083148964 840753360 /nfs/dbraw/zinc/75/33/60/840753360.db2.gz QDWIXKZXGKWUBC-BDGQQUFCSA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]21 ZINC001083148964 840753370 /nfs/dbraw/zinc/75/33/70/840753370.db2.gz QDWIXKZXGKWUBC-BDGQQUFCSA-N 2 2 367.877 0.514 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C ZINC001102580925 844574423 /nfs/dbraw/zinc/57/44/23/844574423.db2.gz QRSGYSKQAVVMEY-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C ZINC001102580925 844574425 /nfs/dbraw/zinc/57/44/25/844574425.db2.gz QRSGYSKQAVVMEY-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083283999 840868145 /nfs/dbraw/zinc/86/81/45/840868145.db2.gz ICXNYDIKFANTRK-HRCADAONSA-N 2 2 352.479 0.038 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083283999 840868147 /nfs/dbraw/zinc/86/81/47/840868147.db2.gz ICXNYDIKFANTRK-HRCADAONSA-N 2 2 352.479 0.038 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCc2sccc2C1 ZINC001102596166 844587586 /nfs/dbraw/zinc/58/75/86/844587586.db2.gz QXDZQOJGMCSHOU-TZMCWYRMSA-N 2 2 350.488 0.276 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCc2sccc2C1 ZINC001102596166 844587590 /nfs/dbraw/zinc/58/75/90/844587590.db2.gz QXDZQOJGMCSHOU-TZMCWYRMSA-N 2 2 350.488 0.276 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001102596166 844587594 /nfs/dbraw/zinc/58/75/94/844587594.db2.gz QXDZQOJGMCSHOU-TZMCWYRMSA-N 2 2 350.488 0.276 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001102596166 844587598 /nfs/dbraw/zinc/58/75/98/844587598.db2.gz QXDZQOJGMCSHOU-TZMCWYRMSA-N 2 2 350.488 0.276 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455905 841022348 /nfs/dbraw/zinc/02/23/48/841022348.db2.gz YGLWNXJJNDRWKR-IKGGRYGDSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455905 841022359 /nfs/dbraw/zinc/02/23/59/841022359.db2.gz YGLWNXJJNDRWKR-IKGGRYGDSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455905 841022366 /nfs/dbraw/zinc/02/23/66/841022366.db2.gz YGLWNXJJNDRWKR-IKGGRYGDSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455905 841022373 /nfs/dbraw/zinc/02/23/73/841022373.db2.gz YGLWNXJJNDRWKR-IKGGRYGDSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456114 841023422 /nfs/dbraw/zinc/02/34/22/841023422.db2.gz HGMGZQDKYPSAML-PMPSAXMXSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456114 841023433 /nfs/dbraw/zinc/02/34/33/841023433.db2.gz HGMGZQDKYPSAML-PMPSAXMXSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456114 841023443 /nfs/dbraw/zinc/02/34/43/841023443.db2.gz HGMGZQDKYPSAML-PMPSAXMXSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083456114 841023455 /nfs/dbraw/zinc/02/34/55/841023455.db2.gz HGMGZQDKYPSAML-PMPSAXMXSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524127 841123145 /nfs/dbraw/zinc/12/31/45/841123145.db2.gz ISSPMTPOALZSSC-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524127 841123152 /nfs/dbraw/zinc/12/31/52/841123152.db2.gz ISSPMTPOALZSSC-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524127 841123161 /nfs/dbraw/zinc/12/31/61/841123161.db2.gz ISSPMTPOALZSSC-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524127 841123171 /nfs/dbraw/zinc/12/31/71/841123171.db2.gz ISSPMTPOALZSSC-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524288 841124263 /nfs/dbraw/zinc/12/42/63/841124263.db2.gz PFWWGSSUVCOEPN-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524288 841124270 /nfs/dbraw/zinc/12/42/70/841124270.db2.gz PFWWGSSUVCOEPN-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524288 841124277 /nfs/dbraw/zinc/12/42/77/841124277.db2.gz PFWWGSSUVCOEPN-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524288 841124283 /nfs/dbraw/zinc/12/42/83/841124283.db2.gz PFWWGSSUVCOEPN-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580101 841195080 /nfs/dbraw/zinc/19/50/80/841195080.db2.gz QGNVYIJHXRGKEH-XKQJLSEDSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580101 841195085 /nfs/dbraw/zinc/19/50/85/841195085.db2.gz QGNVYIJHXRGKEH-XKQJLSEDSA-N 2 2 360.483 0.911 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782779 841431839 /nfs/dbraw/zinc/43/18/39/841431839.db2.gz KYWDOGQCJAXESP-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782779 841431846 /nfs/dbraw/zinc/43/18/46/841431846.db2.gz KYWDOGQCJAXESP-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078639 841690114 /nfs/dbraw/zinc/69/01/14/841690114.db2.gz BJKOMIINDSQGPO-IXDOHACOSA-N 2 2 367.515 0.747 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078639 841690118 /nfs/dbraw/zinc/69/01/18/841690118.db2.gz BJKOMIINDSQGPO-IXDOHACOSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078639 841690125 /nfs/dbraw/zinc/69/01/25/841690125.db2.gz BJKOMIINDSQGPO-IXDOHACOSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078639 841690129 /nfs/dbraw/zinc/69/01/29/841690129.db2.gz BJKOMIINDSQGPO-IXDOHACOSA-N 2 2 367.515 0.747 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409920 841790002 /nfs/dbraw/zinc/79/00/02/841790002.db2.gz PAHZSRQGZSHZDJ-BFYDXBDKSA-N 2 2 369.531 0.438 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409920 841790004 /nfs/dbraw/zinc/79/00/04/841790004.db2.gz PAHZSRQGZSHZDJ-BFYDXBDKSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409920 841790016 /nfs/dbraw/zinc/79/00/16/841790016.db2.gz PAHZSRQGZSHZDJ-BFYDXBDKSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21)C1CCC1 ZINC001084409920 841790019 /nfs/dbraw/zinc/79/00/19/841790019.db2.gz PAHZSRQGZSHZDJ-BFYDXBDKSA-N 2 2 369.531 0.438 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911544 841951570 /nfs/dbraw/zinc/95/15/70/841951570.db2.gz KRCDEJBIIFSCLB-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911544 841951580 /nfs/dbraw/zinc/95/15/80/841951580.db2.gz KRCDEJBIIFSCLB-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911544 841951591 /nfs/dbraw/zinc/95/15/91/841951591.db2.gz KRCDEJBIIFSCLB-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccns4)[C@H]3C2)C1 ZINC001084911544 841951601 /nfs/dbraw/zinc/95/16/01/841951601.db2.gz KRCDEJBIIFSCLB-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084998301 841984423 /nfs/dbraw/zinc/98/44/23/841984423.db2.gz FRLCXWVEHQXZCG-FGTMMUONSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084998301 841984428 /nfs/dbraw/zinc/98/44/28/841984428.db2.gz FRLCXWVEHQXZCG-FGTMMUONSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084998301 841984432 /nfs/dbraw/zinc/98/44/32/841984432.db2.gz FRLCXWVEHQXZCG-FGTMMUONSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084998301 841984435 /nfs/dbraw/zinc/98/44/35/841984435.db2.gz FRLCXWVEHQXZCG-FGTMMUONSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001085014985 841991179 /nfs/dbraw/zinc/99/11/79/841991179.db2.gz PFSJPZLYGKSHAB-NJAFHUGGSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085014985 841991185 /nfs/dbraw/zinc/99/11/85/841991185.db2.gz PFSJPZLYGKSHAB-NJAFHUGGSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001085014985 841991193 /nfs/dbraw/zinc/99/11/93/841991193.db2.gz PFSJPZLYGKSHAB-NJAFHUGGSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001085014985 841991197 /nfs/dbraw/zinc/99/11/97/841991197.db2.gz PFSJPZLYGKSHAB-NJAFHUGGSA-N 2 2 351.491 0.545 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)nc1=O ZINC001085244967 842055618 /nfs/dbraw/zinc/05/56/18/842055618.db2.gz GKYVFGYSBJPBRX-MCIONIFRSA-N 2 2 350.467 0.110 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)nc1=O ZINC001085244967 842055627 /nfs/dbraw/zinc/05/56/27/842055627.db2.gz GKYVFGYSBJPBRX-MCIONIFRSA-N 2 2 350.467 0.110 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085394508 842092400 /nfs/dbraw/zinc/09/24/00/842092400.db2.gz OHQCAACHWNWUET-NUEKZKHPSA-N 2 2 368.503 0.414 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)o2)C1 ZINC001085429084 842102152 /nfs/dbraw/zinc/10/21/52/842102152.db2.gz GHOQGFAOCBKHDB-RBSFLKMASA-N 2 2 351.451 0.616 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)o2)C1 ZINC001085429084 842102156 /nfs/dbraw/zinc/10/21/56/842102156.db2.gz GHOQGFAOCBKHDB-RBSFLKMASA-N 2 2 351.451 0.616 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001085603807 842108048 /nfs/dbraw/zinc/10/80/48/842108048.db2.gz ORVLGWINMKNPDS-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N2CCCC2)CC[N@H+]1C ZINC001085603807 842108053 /nfs/dbraw/zinc/10/80/53/842108053.db2.gz ORVLGWINMKNPDS-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001085603807 842108057 /nfs/dbraw/zinc/10/80/57/842108057.db2.gz ORVLGWINMKNPDS-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N2CCCC2)CC[NH+]1C ZINC001085603807 842108063 /nfs/dbraw/zinc/10/80/63/842108063.db2.gz ORVLGWINMKNPDS-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120331 842122380 /nfs/dbraw/zinc/12/23/80/842122380.db2.gz VHJARWITMCKJLU-QFCKPIOYSA-N 2 2 350.467 0.378 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120331 842122389 /nfs/dbraw/zinc/12/23/89/842122389.db2.gz VHJARWITMCKJLU-QFCKPIOYSA-N 2 2 350.467 0.378 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCS(C)(=O)=O ZINC001087573731 842363582 /nfs/dbraw/zinc/36/35/82/842363582.db2.gz AXNMMGKLCPXGCR-OWCLPIDISA-N 2 2 357.520 0.342 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCS(C)(=O)=O ZINC001087573731 842363593 /nfs/dbraw/zinc/36/35/93/842363593.db2.gz AXNMMGKLCPXGCR-OWCLPIDISA-N 2 2 357.520 0.342 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001087847808 842450979 /nfs/dbraw/zinc/45/09/79/842450979.db2.gz SBMOIGQSFYLZDF-HRCADAONSA-N 2 2 368.503 0.677 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001087847808 842450986 /nfs/dbraw/zinc/45/09/86/842450986.db2.gz SBMOIGQSFYLZDF-HRCADAONSA-N 2 2 368.503 0.677 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001087847518 842451375 /nfs/dbraw/zinc/45/13/75/842451375.db2.gz CWVAIZODOCQLIG-JKSUJKDBSA-N 2 2 368.503 0.677 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001087847518 842451379 /nfs/dbraw/zinc/45/13/79/842451379.db2.gz CWVAIZODOCQLIG-JKSUJKDBSA-N 2 2 368.503 0.677 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088079251 842526945 /nfs/dbraw/zinc/52/69/45/842526945.db2.gz UAGBYMIKPPWSHH-SOLBZPMBSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088079251 842526951 /nfs/dbraw/zinc/52/69/51/842526951.db2.gz UAGBYMIKPPWSHH-SOLBZPMBSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088079251 842526959 /nfs/dbraw/zinc/52/69/59/842526959.db2.gz UAGBYMIKPPWSHH-SOLBZPMBSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088079251 842526961 /nfs/dbraw/zinc/52/69/61/842526961.db2.gz UAGBYMIKPPWSHH-SOLBZPMBSA-N 2 2 351.491 0.402 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001088860080 842697545 /nfs/dbraw/zinc/69/75/45/842697545.db2.gz VHDAHPCRCVDEIJ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001088860080 842697554 /nfs/dbraw/zinc/69/75/54/842697554.db2.gz VHDAHPCRCVDEIJ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001088860080 842697562 /nfs/dbraw/zinc/69/75/62/842697562.db2.gz VHDAHPCRCVDEIJ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001088860080 842697568 /nfs/dbraw/zinc/69/75/68/842697568.db2.gz VHDAHPCRCVDEIJ-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565351 843042308 /nfs/dbraw/zinc/04/23/08/843042308.db2.gz LSARKJSYKKGCKJ-KEYYUXOJSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565351 843042315 /nfs/dbraw/zinc/04/23/15/843042315.db2.gz LSARKJSYKKGCKJ-KEYYUXOJSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565351 843042326 /nfs/dbraw/zinc/04/23/26/843042326.db2.gz LSARKJSYKKGCKJ-KEYYUXOJSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565351 843042340 /nfs/dbraw/zinc/04/23/40/843042340.db2.gz LSARKJSYKKGCKJ-KEYYUXOJSA-N 2 2 365.503 0.457 20 0 FCADLP Cc1nsc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2c[nH+]cn2C)n1 ZINC001092314810 843185933 /nfs/dbraw/zinc/18/59/33/843185933.db2.gz TWXJOHWBSXKLGD-CHWSQXEVSA-N 2 2 363.491 0.938 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521717 843226460 /nfs/dbraw/zinc/22/64/60/843226460.db2.gz CAXSGUZMVYACSG-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521717 843226470 /nfs/dbraw/zinc/22/64/70/843226470.db2.gz CAXSGUZMVYACSG-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521717 843226480 /nfs/dbraw/zinc/22/64/80/843226480.db2.gz CAXSGUZMVYACSG-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521717 843226487 /nfs/dbraw/zinc/22/64/87/843226487.db2.gz CAXSGUZMVYACSG-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676459 843275776 /nfs/dbraw/zinc/27/57/76/843275776.db2.gz ZBWHCAZKWREWLQ-KFWWJZLASA-N 2 2 368.503 0.489 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092676459 843275789 /nfs/dbraw/zinc/27/57/89/843275789.db2.gz ZBWHCAZKWREWLQ-KFWWJZLASA-N 2 2 368.503 0.489 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753673 843291551 /nfs/dbraw/zinc/29/15/51/843291551.db2.gz QOOAWLKTIVLMBL-CHWSQXEVSA-N 2 2 351.451 0.122 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753673 843291559 /nfs/dbraw/zinc/29/15/59/843291559.db2.gz QOOAWLKTIVLMBL-CHWSQXEVSA-N 2 2 351.451 0.122 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001094132956 843520136 /nfs/dbraw/zinc/52/01/36/843520136.db2.gz QUWJNCYFTAHFFH-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)C1 ZINC001094232311 843538079 /nfs/dbraw/zinc/53/80/79/843538079.db2.gz RAEQAJFEUOJQJV-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)C1 ZINC001094232311 843538091 /nfs/dbraw/zinc/53/80/91/843538091.db2.gz RAEQAJFEUOJQJV-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001096544151 843799882 /nfs/dbraw/zinc/79/98/82/843799882.db2.gz FOHZSVCZCLEODE-NCOADZHNSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001096544151 843799888 /nfs/dbraw/zinc/79/98/88/843799888.db2.gz FOHZSVCZCLEODE-NCOADZHNSA-N 2 2 369.531 0.629 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001097405697 843865189 /nfs/dbraw/zinc/86/51/89/843865189.db2.gz PORUSDUQSHBNAE-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001097405697 843865198 /nfs/dbraw/zinc/86/51/98/843865198.db2.gz PORUSDUQSHBNAE-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001097405697 843865205 /nfs/dbraw/zinc/86/52/05/843865205.db2.gz PORUSDUQSHBNAE-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001097405697 843865213 /nfs/dbraw/zinc/86/52/13/843865213.db2.gz PORUSDUQSHBNAE-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223364 843979569 /nfs/dbraw/zinc/97/95/69/843979569.db2.gz PHMPGDADCUXPIR-IJLUTSLNSA-N 2 2 360.384 0.388 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223364 843979574 /nfs/dbraw/zinc/97/95/74/843979574.db2.gz PHMPGDADCUXPIR-IJLUTSLNSA-N 2 2 360.384 0.388 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001099279494 844002397 /nfs/dbraw/zinc/00/23/97/844002397.db2.gz HBPWXIKMKVWMSA-GRYCIOLGSA-N 2 2 359.352 0.059 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102818705 844652346 /nfs/dbraw/zinc/65/23/46/844652346.db2.gz CVHREFGCQCQPAL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102818705 844652352 /nfs/dbraw/zinc/65/23/52/844652352.db2.gz CVHREFGCQCQPAL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001102818705 844652355 /nfs/dbraw/zinc/65/23/55/844652355.db2.gz CVHREFGCQCQPAL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001102818705 844652361 /nfs/dbraw/zinc/65/23/61/844652361.db2.gz CVHREFGCQCQPAL-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290442 844732231 /nfs/dbraw/zinc/73/22/31/844732231.db2.gz PTESZRIWQGLHCI-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290442 844732238 /nfs/dbraw/zinc/73/22/38/844732238.db2.gz PTESZRIWQGLHCI-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)CN(C[C@@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609117 861495796 /nfs/dbraw/zinc/49/57/96/861495796.db2.gz HDKLEUAJMXSXLL-CRAIPNDOSA-N 2 2 355.479 0.393 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)CN(C[C@@H]1COC(C)(C)O1)C(=O)CO2 ZINC001276609117 861495800 /nfs/dbraw/zinc/49/58/00/861495800.db2.gz HDKLEUAJMXSXLL-CRAIPNDOSA-N 2 2 355.479 0.393 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609993 861497755 /nfs/dbraw/zinc/49/77/55/861497755.db2.gz OJRKMCGCDDOCTM-GOSISDBHSA-N 2 2 353.463 0.731 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609993 861497758 /nfs/dbraw/zinc/49/77/58/861497758.db2.gz OJRKMCGCDDOCTM-GOSISDBHSA-N 2 2 353.463 0.731 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276610872 861499022 /nfs/dbraw/zinc/49/90/22/861499022.db2.gz SCALIVDKTXOFCE-YJBOKZPZSA-N 2 2 355.479 0.298 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276610872 861499031 /nfs/dbraw/zinc/49/90/31/861499031.db2.gz SCALIVDKTXOFCE-YJBOKZPZSA-N 2 2 355.479 0.298 20 0 FCADLP Cc1conc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034135 844855974 /nfs/dbraw/zinc/85/59/74/844855974.db2.gz UGLOTMKKPCGDHS-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1conc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034135 844855977 /nfs/dbraw/zinc/85/59/77/844855977.db2.gz UGLOTMKKPCGDHS-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104775168 844940853 /nfs/dbraw/zinc/94/08/53/844940853.db2.gz CLROMXOHVHCYGK-BZUAXINKSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104775168 844940859 /nfs/dbraw/zinc/94/08/59/844940859.db2.gz CLROMXOHVHCYGK-BZUAXINKSA-N 2 2 352.479 0.671 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001104836649 844950079 /nfs/dbraw/zinc/95/00/79/844950079.db2.gz WXPMVMJXFUNLTE-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105619 844981353 /nfs/dbraw/zinc/98/13/53/844981353.db2.gz ZSMQJGDGGBNGDK-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673517 845016885 /nfs/dbraw/zinc/01/68/85/845016885.db2.gz MIMVJUWMCDUCLL-JOCBIADPSA-N 2 2 350.463 0.496 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001106498558 845186216 /nfs/dbraw/zinc/18/62/16/845186216.db2.gz CUDBZOTXNOGKEQ-BZUAXINKSA-N 2 2 370.519 0.638 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NCC(F)(F)F ZINC001107077551 845325920 /nfs/dbraw/zinc/32/59/20/845325920.db2.gz JJMHRZFNZSDUKK-VXGBXAGGSA-N 2 2 361.368 0.246 20 0 FCADLP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nncs1)CC2 ZINC001107609245 845407092 /nfs/dbraw/zinc/40/70/92/845407092.db2.gz KRYPYZVLTDOJCD-RHSMWYFYSA-N 2 2 367.519 0.977 20 0 FCADLP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nncs1)CC2 ZINC001107609245 845407096 /nfs/dbraw/zinc/40/70/96/845407096.db2.gz KRYPYZVLTDOJCD-RHSMWYFYSA-N 2 2 367.519 0.977 20 0 FCADLP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756692 861583979 /nfs/dbraw/zinc/58/39/79/861583979.db2.gz YYIJLRRHSFAWOC-KRWDZBQOSA-N 2 2 357.520 0.440 20 0 FCADLP CCS(=O)(=O)CCN1CC[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756692 861583991 /nfs/dbraw/zinc/58/39/91/861583991.db2.gz YYIJLRRHSFAWOC-KRWDZBQOSA-N 2 2 357.520 0.440 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)CC1 ZINC001276765197 861588890 /nfs/dbraw/zinc/58/88/90/861588890.db2.gz ORBLHABBBBRZRQ-QGZVFWFLSA-N 2 2 358.433 0.483 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)CC1 ZINC001276765197 861588900 /nfs/dbraw/zinc/58/89/00/861588900.db2.gz ORBLHABBBBRZRQ-QGZVFWFLSA-N 2 2 358.433 0.483 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109445855 845656373 /nfs/dbraw/zinc/65/63/73/845656373.db2.gz BBVYGMSZUCHCDO-QXSJWSMHSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109445855 845656379 /nfs/dbraw/zinc/65/63/79/845656379.db2.gz BBVYGMSZUCHCDO-QXSJWSMHSA-N 2 2 354.495 0.201 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002541 845774627 /nfs/dbraw/zinc/77/46/27/845774627.db2.gz LAPMQBHNYYNJIR-PMPSAXMXSA-N 2 2 374.551 0.379 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002541 845774631 /nfs/dbraw/zinc/77/46/31/845774631.db2.gz LAPMQBHNYYNJIR-PMPSAXMXSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001110016218 845777952 /nfs/dbraw/zinc/77/79/52/845777952.db2.gz DPMUWBKOMCBUDY-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001110016218 845777957 /nfs/dbraw/zinc/77/79/57/845777957.db2.gz DPMUWBKOMCBUDY-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001110016218 845777965 /nfs/dbraw/zinc/77/79/65/845777965.db2.gz DPMUWBKOMCBUDY-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001110016218 845777971 /nfs/dbraw/zinc/77/79/71/845777971.db2.gz DPMUWBKOMCBUDY-IKGGRYGDSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103065 845792041 /nfs/dbraw/zinc/79/20/41/845792041.db2.gz CCFSMYAOYLXXTH-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103065 845792047 /nfs/dbraw/zinc/79/20/47/845792047.db2.gz CCFSMYAOYLXXTH-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110615272 845928483 /nfs/dbraw/zinc/92/84/83/845928483.db2.gz LUSJDHXDCUHDOF-QXSJWSMHSA-N 2 2 356.486 0.914 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110615272 845928488 /nfs/dbraw/zinc/92/84/88/845928488.db2.gz LUSJDHXDCUHDOF-QXSJWSMHSA-N 2 2 356.486 0.914 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110626647 845939607 /nfs/dbraw/zinc/93/96/07/845939607.db2.gz KHKBTSLHDMOYOL-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110626647 845939614 /nfs/dbraw/zinc/93/96/14/845939614.db2.gz KHKBTSLHDMOYOL-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110626647 845939623 /nfs/dbraw/zinc/93/96/23/845939623.db2.gz KHKBTSLHDMOYOL-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110626647 845939628 /nfs/dbraw/zinc/93/96/28/845939628.db2.gz KHKBTSLHDMOYOL-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001110956598 846002194 /nfs/dbraw/zinc/00/21/94/846002194.db2.gz PVHGYRQCOVMGBH-FPCVCCKLSA-N 2 2 371.547 0.730 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001110956598 846002201 /nfs/dbraw/zinc/00/22/01/846002201.db2.gz PVHGYRQCOVMGBH-FPCVCCKLSA-N 2 2 371.547 0.730 20 0 FCADLP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825504 861634510 /nfs/dbraw/zinc/63/45/10/861634510.db2.gz UNKNJISFGHWWLE-MAUKXSAKSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825504 861634520 /nfs/dbraw/zinc/63/45/20/861634520.db2.gz UNKNJISFGHWWLE-MAUKXSAKSA-N 2 2 350.463 0.593 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001111274721 846074778 /nfs/dbraw/zinc/07/47/78/846074778.db2.gz JZIJLHVABPJIDU-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001111274721 846074787 /nfs/dbraw/zinc/07/47/87/846074787.db2.gz JZIJLHVABPJIDU-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)C1 ZINC001111274721 846074795 /nfs/dbraw/zinc/07/47/95/846074795.db2.gz JZIJLHVABPJIDU-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)C1 ZINC001111274721 846074801 /nfs/dbraw/zinc/07/48/01/846074801.db2.gz JZIJLHVABPJIDU-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001111309359 846081948 /nfs/dbraw/zinc/08/19/48/846081948.db2.gz OCWPIZMOSHASGT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001111309359 846081957 /nfs/dbraw/zinc/08/19/57/846081957.db2.gz OCWPIZMOSHASGT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOCC ZINC001111309359 846081962 /nfs/dbraw/zinc/08/19/62/846081962.db2.gz OCWPIZMOSHASGT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOCC ZINC001111309359 846081969 /nfs/dbraw/zinc/08/19/69/846081969.db2.gz OCWPIZMOSHASGT-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407012 846099938 /nfs/dbraw/zinc/09/99/38/846099938.db2.gz KCUGEPYLQOLCMK-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407012 846099946 /nfs/dbraw/zinc/09/99/46/846099946.db2.gz KCUGEPYLQOLCMK-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407012 846099951 /nfs/dbraw/zinc/09/99/51/846099951.db2.gz KCUGEPYLQOLCMK-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407012 846099954 /nfs/dbraw/zinc/09/99/54/846099954.db2.gz KCUGEPYLQOLCMK-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111408187 846100093 /nfs/dbraw/zinc/10/00/93/846100093.db2.gz MFQYMHLYACRZRX-MIGQKNRLSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111408187 846100097 /nfs/dbraw/zinc/10/00/97/846100097.db2.gz MFQYMHLYACRZRX-MIGQKNRLSA-N 2 2 368.503 0.594 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408299 846100125 /nfs/dbraw/zinc/10/01/25/846100125.db2.gz RKKQRMMDFIQGSI-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408299 846100131 /nfs/dbraw/zinc/10/01/31/846100131.db2.gz RKKQRMMDFIQGSI-VQHPVUNQSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111466398 846118627 /nfs/dbraw/zinc/11/86/27/846118627.db2.gz UEVWFYPWRMAIAV-FPCVCCKLSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111466398 846118630 /nfs/dbraw/zinc/11/86/30/846118630.db2.gz UEVWFYPWRMAIAV-FPCVCCKLSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111466398 846118634 /nfs/dbraw/zinc/11/86/34/846118634.db2.gz UEVWFYPWRMAIAV-FPCVCCKLSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111466398 846118638 /nfs/dbraw/zinc/11/86/38/846118638.db2.gz UEVWFYPWRMAIAV-FPCVCCKLSA-N 2 2 357.520 0.483 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111984798 846281648 /nfs/dbraw/zinc/28/16/48/846281648.db2.gz PFDQSJUGIIYVAR-RDJZCZTQSA-N 2 2 368.503 0.597 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111984798 846281655 /nfs/dbraw/zinc/28/16/55/846281655.db2.gz PFDQSJUGIIYVAR-RDJZCZTQSA-N 2 2 368.503 0.597 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984956 846283254 /nfs/dbraw/zinc/28/32/54/846283254.db2.gz WQHBXMLFNXPKDF-LPHOPBHVSA-N 2 2 350.507 0.825 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984956 846283265 /nfs/dbraw/zinc/28/32/65/846283265.db2.gz WQHBXMLFNXPKDF-LPHOPBHVSA-N 2 2 350.507 0.825 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112212194 846469032 /nfs/dbraw/zinc/46/90/32/846469032.db2.gz RWEJAUGVLYCYRH-CHWSQXEVSA-N 2 2 362.400 0.634 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112212194 846469034 /nfs/dbraw/zinc/46/90/34/846469034.db2.gz RWEJAUGVLYCYRH-CHWSQXEVSA-N 2 2 362.400 0.634 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217503 846472451 /nfs/dbraw/zinc/47/24/51/846472451.db2.gz OTQPULFRCRVULT-VXGBXAGGSA-N 2 2 361.368 0.387 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331139 846493826 /nfs/dbraw/zinc/49/38/26/846493826.db2.gz CNWQDFMPXGQKFS-MPGHIAIKSA-N 2 2 350.463 0.568 20 0 FCADLP O=C(NCC1([NH2+]CCOCCO)CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115580581 846563081 /nfs/dbraw/zinc/56/30/81/846563081.db2.gz BLFQTKNQBUKBEF-HUUCEWRRSA-N 2 2 350.463 0.931 20 0 FCADLP O=C(NCC1([NH2+]CCOCCO)CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115580581 846563095 /nfs/dbraw/zinc/56/30/95/846563095.db2.gz BLFQTKNQBUKBEF-HUUCEWRRSA-N 2 2 350.463 0.931 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)CO)C2 ZINC001276959752 861706627 /nfs/dbraw/zinc/70/66/27/861706627.db2.gz XRKOGVJYBYSOTR-GOSISDBHSA-N 2 2 350.463 0.490 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)CO)C2 ZINC001276959752 861706635 /nfs/dbraw/zinc/70/66/35/861706635.db2.gz XRKOGVJYBYSOTR-GOSISDBHSA-N 2 2 350.463 0.490 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858685 847186865 /nfs/dbraw/zinc/18/68/65/847186865.db2.gz PPVWYFMJBAFIPG-UXLLHSPISA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858685 847186873 /nfs/dbraw/zinc/18/68/73/847186873.db2.gz PPVWYFMJBAFIPG-UXLLHSPISA-N 2 2 350.507 0.728 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001119345639 847817099 /nfs/dbraw/zinc/81/70/99/847817099.db2.gz YORACZWWAAJRRX-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001119345639 847817106 /nfs/dbraw/zinc/81/71/06/847817106.db2.gz YORACZWWAAJRRX-RDJZCZTQSA-N 2 2 354.495 0.650 20 0 FCADLP CN(C(=O)C(=O)N1CCC(F)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001120439011 848201999 /nfs/dbraw/zinc/20/19/99/848201999.db2.gz MGLLUEMVRLUTKX-MRXNPFEDSA-N 2 2 354.470 0.574 20 0 FCADLP CN(C(=O)C(=O)N1CCC(F)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001120439011 848202009 /nfs/dbraw/zinc/20/20/09/848202009.db2.gz MGLLUEMVRLUTKX-MRXNPFEDSA-N 2 2 354.470 0.574 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694180 848624952 /nfs/dbraw/zinc/62/49/52/848624952.db2.gz IZNZUCIVRPGRDV-DLBZAZTESA-N 2 2 355.527 0.373 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694180 848624955 /nfs/dbraw/zinc/62/49/55/848624955.db2.gz IZNZUCIVRPGRDV-DLBZAZTESA-N 2 2 355.527 0.373 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072251 848802384 /nfs/dbraw/zinc/80/23/84/848802384.db2.gz XBIKLPOKXGMWKN-UPJWGTAASA-N 2 2 362.400 0.912 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072251 848802394 /nfs/dbraw/zinc/80/23/94/848802394.db2.gz XBIKLPOKXGMWKN-UPJWGTAASA-N 2 2 362.400 0.912 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(C(F)(F)F)n(C)n2)O1 ZINC001130182658 848961631 /nfs/dbraw/zinc/96/16/31/848961631.db2.gz RNLWVBQCLSYFFV-ZYHUDNBSSA-N 2 2 363.384 0.364 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cc(C(F)(F)F)n(C)n2)O1 ZINC001130182658 848961636 /nfs/dbraw/zinc/96/16/36/848961636.db2.gz RNLWVBQCLSYFFV-ZYHUDNBSSA-N 2 2 363.384 0.364 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]C/C=C\Cl)c1 ZINC001130555809 849013102 /nfs/dbraw/zinc/01/31/02/849013102.db2.gz LRPRYVWLEGGYHV-NTVXTUOPSA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]C/C=C\Cl)c1 ZINC001130555809 849013114 /nfs/dbraw/zinc/01/31/14/849013114.db2.gz LRPRYVWLEGGYHV-NTVXTUOPSA-N 2 2 367.881 0.387 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130772618 849039178 /nfs/dbraw/zinc/03/91/78/849039178.db2.gz UNELWGCLGNAVGY-YNEHKIRRSA-N 2 2 354.430 0.294 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130772618 849039182 /nfs/dbraw/zinc/03/91/82/849039182.db2.gz UNELWGCLGNAVGY-YNEHKIRRSA-N 2 2 354.430 0.294 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]2)O1 ZINC001130820376 849049285 /nfs/dbraw/zinc/04/92/85/849049285.db2.gz VFVZIACHZQBUEL-UONOGXRCSA-N 2 2 352.483 0.979 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]2)O1 ZINC001130820376 849049292 /nfs/dbraw/zinc/04/92/92/849049292.db2.gz VFVZIACHZQBUEL-UONOGXRCSA-N 2 2 352.483 0.979 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131582854 849126787 /nfs/dbraw/zinc/12/67/87/849126787.db2.gz CRWLHCHADUOQIJ-JOQOYGCGSA-N 2 2 350.463 0.973 20 0 FCADLP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131583075 849126914 /nfs/dbraw/zinc/12/69/14/849126914.db2.gz OABIYZNSIYTZAO-QAPCUYQASA-N 2 2 350.463 0.974 20 0 FCADLP O=C(NCC[NH2+]CC[C@H]1CCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613427 849131099 /nfs/dbraw/zinc/13/10/99/849131099.db2.gz AMHFSSCYKFXMAX-ZACQAIPSSA-N 2 2 355.479 0.141 20 0 FCADLP CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136737240 849238944 /nfs/dbraw/zinc/23/89/44/849238944.db2.gz BFSCDLRQBUJTOS-CVEARBPZSA-N 2 2 374.551 0.187 20 0 FCADLP CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136737240 849238952 /nfs/dbraw/zinc/23/89/52/849238952.db2.gz BFSCDLRQBUJTOS-CVEARBPZSA-N 2 2 374.551 0.187 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CNC(=O)N4)CC3)s2)CC1 ZINC001139325357 849337386 /nfs/dbraw/zinc/33/73/86/849337386.db2.gz LIUFTJCUOBUOTF-UHFFFAOYSA-N 2 2 350.492 0.542 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[N@H+](C)C(C)C ZINC001142584239 849452402 /nfs/dbraw/zinc/45/24/02/849452402.db2.gz OSICFRBMYKAQDK-MAUKXSAKSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001142584239 849452408 /nfs/dbraw/zinc/45/24/08/849452408.db2.gz OSICFRBMYKAQDK-MAUKXSAKSA-N 2 2 355.479 0.582 20 0 FCADLP CC[N@H+](Cc1snnc1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998450 849773004 /nfs/dbraw/zinc/77/30/04/849773004.db2.gz RSJWWKMPXXQZIX-YRGRVCCFSA-N 2 2 355.508 0.892 20 0 FCADLP CC[N@@H+](Cc1snnc1C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998450 849773010 /nfs/dbraw/zinc/77/30/10/849773010.db2.gz RSJWWKMPXXQZIX-YRGRVCCFSA-N 2 2 355.508 0.892 20 0 FCADLP CC[NH+](Cc1snnc1C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998450 849773023 /nfs/dbraw/zinc/77/30/23/849773023.db2.gz RSJWWKMPXXQZIX-YRGRVCCFSA-N 2 2 355.508 0.892 20 0 FCADLP CC[NH+](Cc1snnc1C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998450 849773034 /nfs/dbraw/zinc/77/30/34/849773034.db2.gz RSJWWKMPXXQZIX-YRGRVCCFSA-N 2 2 355.508 0.892 20 0 FCADLP CCCCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998274 849773412 /nfs/dbraw/zinc/77/34/12/849773412.db2.gz LSCGJPGAFBKAFX-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998274 849773416 /nfs/dbraw/zinc/77/34/16/849773416.db2.gz LSCGJPGAFBKAFX-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998274 849773420 /nfs/dbraw/zinc/77/34/20/849773420.db2.gz LSCGJPGAFBKAFX-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998274 849773423 /nfs/dbraw/zinc/77/34/23/849773423.db2.gz LSCGJPGAFBKAFX-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccn1)C2 ZINC001277753370 862054973 /nfs/dbraw/zinc/05/49/73/862054973.db2.gz OQYHVJVLYCMLLT-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccn1)C2 ZINC001277753370 862054982 /nfs/dbraw/zinc/05/49/82/862054982.db2.gz OQYHVJVLYCMLLT-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP CN1CCOc2c(Cl)nnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c21 ZINC001155375454 849849016 /nfs/dbraw/zinc/84/90/16/849849016.db2.gz DPMLHTUCYXEMDK-GFCCVEGCSA-N 2 2 352.870 0.818 20 0 FCADLP COC(=O)c1c[nH]c2nc(Cl)nc(NC(=[NH2+])N3CC[NH+](C)CC3)c12 ZINC001157916302 850004302 /nfs/dbraw/zinc/00/43/02/850004302.db2.gz SDMPOCHPZZZQJZ-UHFFFAOYSA-N 2 2 351.798 0.992 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nsc(N(C)C)n2)CC[N@@H+]1C ZINC001158403333 850046787 /nfs/dbraw/zinc/04/67/87/850046787.db2.gz FPFSDAPJKAECGP-QWHCGFSZSA-N 2 2 354.524 0.930 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nsc(N(C)C)n2)CC[N@H+]1C ZINC001158403333 850046798 /nfs/dbraw/zinc/04/67/98/850046798.db2.gz FPFSDAPJKAECGP-QWHCGFSZSA-N 2 2 354.524 0.930 20 0 FCADLP CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001158788982 850076320 /nfs/dbraw/zinc/07/63/20/850076320.db2.gz CEWRSCTUVFVMBU-AAEUAGOBSA-N 2 2 365.503 0.242 20 0 FCADLP O=C([C@@H]1COCC[NH2+]1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158900221 850084141 /nfs/dbraw/zinc/08/41/41/850084141.db2.gz BJGOQJVRQXCIKM-IFIJOSMWSA-N 2 2 350.394 0.063 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833484 850139331 /nfs/dbraw/zinc/13/93/31/850139331.db2.gz MGYYEPNGWOEIDK-RDBSUJKOSA-N 2 2 366.487 0.846 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832229 850139724 /nfs/dbraw/zinc/13/97/24/850139724.db2.gz BGKORXYDRPDRKS-NWANDNLSSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832229 850139728 /nfs/dbraw/zinc/13/97/28/850139728.db2.gz BGKORXYDRPDRKS-NWANDNLSSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832229 850139733 /nfs/dbraw/zinc/13/97/33/850139733.db2.gz BGKORXYDRPDRKS-NWANDNLSSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832229 850139739 /nfs/dbraw/zinc/13/97/39/850139739.db2.gz BGKORXYDRPDRKS-NWANDNLSSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832078 850139846 /nfs/dbraw/zinc/13/98/46/850139846.db2.gz BGKORXYDRPDRKS-AEGPPILISA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832078 850139851 /nfs/dbraw/zinc/13/98/51/850139851.db2.gz BGKORXYDRPDRKS-AEGPPILISA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832078 850139858 /nfs/dbraw/zinc/13/98/58/850139858.db2.gz BGKORXYDRPDRKS-AEGPPILISA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832078 850139864 /nfs/dbraw/zinc/13/98/64/850139864.db2.gz BGKORXYDRPDRKS-AEGPPILISA-N 2 2 360.487 0.859 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834662 850140169 /nfs/dbraw/zinc/14/01/69/850140169.db2.gz WFYDWUSVLOLVDT-RFBLXINOSA-N 3 2 361.515 0.516 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834662 850140176 /nfs/dbraw/zinc/14/01/76/850140176.db2.gz WFYDWUSVLOLVDT-RFBLXINOSA-N 3 2 361.515 0.516 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)C1 ZINC001159910095 850145273 /nfs/dbraw/zinc/14/52/73/850145273.db2.gz OCYXKIBXLISZSP-HCZIRCDUSA-N 2 2 366.487 0.355 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794428 862098157 /nfs/dbraw/zinc/09/81/57/862098157.db2.gz ISISOVNIMGDBCW-WMZOPIPTSA-N 2 2 350.463 0.736 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794428 862098166 /nfs/dbraw/zinc/09/81/66/862098166.db2.gz ISISOVNIMGDBCW-WMZOPIPTSA-N 2 2 350.463 0.736 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794427 862098464 /nfs/dbraw/zinc/09/84/64/862098464.db2.gz ISISOVNIMGDBCW-SJLPKXTDSA-N 2 2 350.463 0.736 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794427 862098481 /nfs/dbraw/zinc/09/84/81/862098481.db2.gz ISISOVNIMGDBCW-SJLPKXTDSA-N 2 2 350.463 0.736 20 0 FCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)[C@@H]4CC[NH2+]4)CC[C@@H]3C2)cs1 ZINC001160335411 850167012 /nfs/dbraw/zinc/16/70/12/850167012.db2.gz OBLOTMCLKXFIMV-VNQPRFMTSA-N 2 2 350.488 0.863 20 0 FCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)[C@@H]4CC[NH2+]4)CC[C@@H]3C2)cs1 ZINC001160335411 850167020 /nfs/dbraw/zinc/16/70/20/850167020.db2.gz OBLOTMCLKXFIMV-VNQPRFMTSA-N 2 2 350.488 0.863 20 0 FCADLP O=C(N1CCC(Oc2cc(Cl)ncn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160506607 850177607 /nfs/dbraw/zinc/17/76/07/850177607.db2.gz OLZBJRYKSZDBGM-MEDUHNTESA-N 2 2 351.838 0.451 20 0 FCADLP O=C(N1CCC(c2noc(C(F)(F)F)n2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160549482 850180279 /nfs/dbraw/zinc/18/02/79/850180279.db2.gz YVRNCZJKWHPBTR-IINYFYTJSA-N 2 2 359.352 0.746 20 0 FCADLP O=C(N1CCC(c2noc(C(F)(F)F)n2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160549486 850180289 /nfs/dbraw/zinc/18/02/89/850180289.db2.gz YVRNCZJKWHPBTR-YGRLFVJLSA-N 2 2 359.352 0.746 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001160691233 850192859 /nfs/dbraw/zinc/19/28/59/850192859.db2.gz OOFMMHAQFXZTNQ-GFCCVEGCSA-N 2 2 350.810 0.705 20 0 FCADLP CCCCc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160862846 850208424 /nfs/dbraw/zinc/20/84/24/850208424.db2.gz XPUAPRYICJQFSO-ZIAGYGMSSA-N 2 2 353.467 0.727 20 0 FCADLP CCCCc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160862846 850208429 /nfs/dbraw/zinc/20/84/29/850208429.db2.gz XPUAPRYICJQFSO-ZIAGYGMSSA-N 2 2 353.467 0.727 20 0 FCADLP O=C(N1CCC(Oc2ccc(Cl)nn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160912746 850213310 /nfs/dbraw/zinc/21/33/10/850213310.db2.gz OFQKKSFYDCWERQ-BDJLRTHQSA-N 2 2 351.838 0.451 20 0 FCADLP CSc1nc(Cl)cc(N2CCCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)n1 ZINC001161057350 850226574 /nfs/dbraw/zinc/22/65/74/850226574.db2.gz WVZPMGRVSZAEIQ-QWRGUYRKSA-N 2 2 370.910 0.437 20 0 FCADLP CCS(=O)(=O)NC1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1 ZINC001161263735 850244965 /nfs/dbraw/zinc/24/49/65/850244965.db2.gz CMTVYXOHAYHKAG-HNNXBMFYSA-N 2 2 354.476 0.189 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837417 862124497 /nfs/dbraw/zinc/12/44/97/862124497.db2.gz XHQYEQFECGOCMI-SJLPKXTDSA-N 2 2 357.495 0.029 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837417 862124501 /nfs/dbraw/zinc/12/45/01/862124501.db2.gz XHQYEQFECGOCMI-SJLPKXTDSA-N 2 2 357.495 0.029 20 0 FCADLP [NH2+]=C(Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1)SCC[NH3+] ZINC001167916567 850563886 /nfs/dbraw/zinc/56/38/86/850563886.db2.gz SUNXREJNNXOHHC-UHFFFAOYSA-N 3 2 357.505 0.755 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001168181152 850574857 /nfs/dbraw/zinc/57/48/57/850574857.db2.gz SVRFFYXDJDTRKX-IAGOWNOFSA-N 2 2 351.491 0.450 20 0 FCADLP NS(=O)(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001168837594 850595116 /nfs/dbraw/zinc/59/51/16/850595116.db2.gz JUXVVZSUPTUMKA-UHFFFAOYSA-N 2 2 353.488 0.772 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc2sccc2c(N2CCOCC2)n1 ZINC001169066406 850604433 /nfs/dbraw/zinc/60/44/33/850604433.db2.gz ACLVTIMHTOGYQW-LLVKDONJSA-N 2 2 360.443 0.576 20 0 FCADLP CC(C)(C)NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169072906 850604449 /nfs/dbraw/zinc/60/44/49/850604449.db2.gz UGBAJANGKKSNEI-LLVKDONJSA-N 2 2 353.448 0.206 20 0 FCADLP CC(C)(C)NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075127 850604544 /nfs/dbraw/zinc/60/45/44/850604544.db2.gz WBWITKSGRXERTI-GFCCVEGCSA-N 2 2 352.460 0.811 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)ccc1CN1CCOCC1 ZINC001169070775 850604621 /nfs/dbraw/zinc/60/46/21/850604621.db2.gz AXFJEIWIEOAJBE-CYBMUJFWSA-N 2 2 351.838 0.615 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c2c(ncc1Br)NC(=O)C2 ZINC001169075004 850604707 /nfs/dbraw/zinc/60/47/07/850604707.db2.gz DWBUWPNTBKGWPC-SSDOTTSWSA-N 2 2 352.192 0.387 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001171499002 850686626 /nfs/dbraw/zinc/68/66/26/850686626.db2.gz DWBMOBZNYYOPIA-UMVBOHGHSA-N 2 2 352.483 0.597 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001171499002 850686636 /nfs/dbraw/zinc/68/66/36/850686636.db2.gz DWBMOBZNYYOPIA-UMVBOHGHSA-N 2 2 352.483 0.597 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)C1 ZINC001172116357 850704776 /nfs/dbraw/zinc/70/47/76/850704776.db2.gz KQPFSTKATMQDTG-MANSERQUSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)C1 ZINC001172116357 850704781 /nfs/dbraw/zinc/70/47/81/850704781.db2.gz KQPFSTKATMQDTG-MANSERQUSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116357 850704789 /nfs/dbraw/zinc/70/47/89/850704789.db2.gz KQPFSTKATMQDTG-MANSERQUSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116357 850704798 /nfs/dbraw/zinc/70/47/98/850704798.db2.gz KQPFSTKATMQDTG-MANSERQUSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175356990 850762883 /nfs/dbraw/zinc/76/28/83/850762883.db2.gz BCRNRRPURNFBTR-RRFJBIMHSA-N 2 2 370.519 0.833 20 0 FCADLP CCN(C(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1)C1C[NH+](C)C1 ZINC001179011969 850945558 /nfs/dbraw/zinc/94/55/58/850945558.db2.gz DQLNFCQQSYHBQK-UHFFFAOYSA-N 2 2 350.507 0.872 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759779 851063358 /nfs/dbraw/zinc/06/33/58/851063358.db2.gz RGVLTKKNQXUJAO-ILXRZTDVSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759779 851063370 /nfs/dbraw/zinc/06/33/70/851063370.db2.gz RGVLTKKNQXUJAO-ILXRZTDVSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001180759779 851063383 /nfs/dbraw/zinc/06/33/83/851063383.db2.gz RGVLTKKNQXUJAO-ILXRZTDVSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001180759779 851063395 /nfs/dbraw/zinc/06/33/95/851063395.db2.gz RGVLTKKNQXUJAO-ILXRZTDVSA-N 2 2 350.488 0.897 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)NC2(C[NH3+])COC2)C1 ZINC001182299387 851167987 /nfs/dbraw/zinc/16/79/87/851167987.db2.gz ZWHHGENFMAEERX-CYBMUJFWSA-N 2 2 356.467 0.162 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)NC2(C[NH3+])COC2)C1 ZINC001182299387 851167991 /nfs/dbraw/zinc/16/79/91/851167991.db2.gz ZWHHGENFMAEERX-CYBMUJFWSA-N 2 2 356.467 0.162 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001185263769 851347656 /nfs/dbraw/zinc/34/76/56/851347656.db2.gz VZWQMWWWIFOMPQ-CQSZACIVSA-N 2 2 371.576 0.800 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001185263769 851347661 /nfs/dbraw/zinc/34/76/61/851347661.db2.gz VZWQMWWWIFOMPQ-CQSZACIVSA-N 2 2 371.576 0.800 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382625 851784397 /nfs/dbraw/zinc/78/43/97/851784397.db2.gz MPWFOXNJNPADOG-HLLBOEOZSA-N 2 2 350.463 0.784 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382625 851784407 /nfs/dbraw/zinc/78/44/07/851784407.db2.gz MPWFOXNJNPADOG-HLLBOEOZSA-N 2 2 350.463 0.784 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382625 851784413 /nfs/dbraw/zinc/78/44/13/851784413.db2.gz MPWFOXNJNPADOG-HLLBOEOZSA-N 2 2 350.463 0.784 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382625 851784421 /nfs/dbraw/zinc/78/44/21/851784421.db2.gz MPWFOXNJNPADOG-HLLBOEOZSA-N 2 2 350.463 0.784 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001193447694 852428849 /nfs/dbraw/zinc/42/88/49/852428849.db2.gz VVRLLAGMLBISLG-BRWVUGGUSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001193447694 852428856 /nfs/dbraw/zinc/42/88/56/852428856.db2.gz VVRLLAGMLBISLG-BRWVUGGUSA-N 2 2 352.454 0.731 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)CCC1 ZINC001193766288 852485485 /nfs/dbraw/zinc/48/54/85/852485485.db2.gz RINMJQLXBSKOFJ-ZIAGYGMSSA-N 2 2 355.870 0.182 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)CCC1 ZINC001193766288 852485490 /nfs/dbraw/zinc/48/54/90/852485490.db2.gz RINMJQLXBSKOFJ-ZIAGYGMSSA-N 2 2 355.870 0.182 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)s1 ZINC001193891991 852501731 /nfs/dbraw/zinc/50/17/31/852501731.db2.gz BQBJDJLFLPJXBC-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)s1 ZINC001193891991 852501736 /nfs/dbraw/zinc/50/17/36/852501736.db2.gz BQBJDJLFLPJXBC-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC001193891991 852501741 /nfs/dbraw/zinc/50/17/41/852501741.db2.gz BQBJDJLFLPJXBC-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC001193891991 852501747 /nfs/dbraw/zinc/50/17/47/852501747.db2.gz BQBJDJLFLPJXBC-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244733 852564764 /nfs/dbraw/zinc/56/47/64/852564764.db2.gz XWPSZMMUOJAZJO-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244733 852564768 /nfs/dbraw/zinc/56/47/68/852564768.db2.gz XWPSZMMUOJAZJO-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244733 852564771 /nfs/dbraw/zinc/56/47/71/852564771.db2.gz XWPSZMMUOJAZJO-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244733 852564774 /nfs/dbraw/zinc/56/47/74/852564774.db2.gz XWPSZMMUOJAZJO-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265784 852570756 /nfs/dbraw/zinc/57/07/56/852570756.db2.gz ZACAAPNLSHLFBJ-RRFJBIMHSA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265784 852570757 /nfs/dbraw/zinc/57/07/57/852570757.db2.gz ZACAAPNLSHLFBJ-RRFJBIMHSA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194265784 852570761 /nfs/dbraw/zinc/57/07/61/852570761.db2.gz ZACAAPNLSHLFBJ-RRFJBIMHSA-N 2 2 356.511 0.135 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194265784 852570765 /nfs/dbraw/zinc/57/07/65/852570765.db2.gz ZACAAPNLSHLFBJ-RRFJBIMHSA-N 2 2 356.511 0.135 20 0 FCADLP COc1ncccc1S(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001194701426 852635931 /nfs/dbraw/zinc/63/59/31/852635931.db2.gz ANHHPULCWITIDX-UHFFFAOYSA-N 2 2 368.503 0.738 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997430 852689745 /nfs/dbraw/zinc/68/97/45/852689745.db2.gz QWINKCYWHPMDLE-OWCLPIDISA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997430 852689752 /nfs/dbraw/zinc/68/97/52/852689752.db2.gz QWINKCYWHPMDLE-OWCLPIDISA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997430 852689756 /nfs/dbraw/zinc/68/97/56/852689756.db2.gz QWINKCYWHPMDLE-OWCLPIDISA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997430 852689762 /nfs/dbraw/zinc/68/97/62/852689762.db2.gz QWINKCYWHPMDLE-OWCLPIDISA-N 2 2 354.495 0.066 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046812 853210360 /nfs/dbraw/zinc/21/03/60/853210360.db2.gz FQWSPUWGBPQARD-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046812 853210367 /nfs/dbraw/zinc/21/03/67/853210367.db2.gz FQWSPUWGBPQARD-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046812 853210376 /nfs/dbraw/zinc/21/03/76/853210376.db2.gz FQWSPUWGBPQARD-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198046812 853210383 /nfs/dbraw/zinc/21/03/83/853210383.db2.gz FQWSPUWGBPQARD-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047988 853210980 /nfs/dbraw/zinc/21/09/80/853210980.db2.gz QHXHKPUQSCHEGZ-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047988 853210984 /nfs/dbraw/zinc/21/09/84/853210984.db2.gz QHXHKPUQSCHEGZ-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047988 853210991 /nfs/dbraw/zinc/21/09/91/853210991.db2.gz QHXHKPUQSCHEGZ-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198047988 853210995 /nfs/dbraw/zinc/21/09/95/853210995.db2.gz QHXHKPUQSCHEGZ-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001198292869 853246604 /nfs/dbraw/zinc/24/66/04/853246604.db2.gz UGJLSIHUIASXMC-GVDBMIGSSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001198292869 853246614 /nfs/dbraw/zinc/24/66/14/853246614.db2.gz UGJLSIHUIASXMC-GVDBMIGSSA-N 2 2 350.463 0.473 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001198699443 853303128 /nfs/dbraw/zinc/30/31/28/853303128.db2.gz RCOGYSKVPMTFNW-JHJVBQTASA-N 2 2 353.385 0.068 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001198699443 853303140 /nfs/dbraw/zinc/30/31/40/853303140.db2.gz RCOGYSKVPMTFNW-JHJVBQTASA-N 2 2 353.385 0.068 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)sn1 ZINC001198699951 853305634 /nfs/dbraw/zinc/30/56/34/853305634.db2.gz ZOYXQHKBMNWXHL-APHBMKBZSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)sn1 ZINC001198699951 853305640 /nfs/dbraw/zinc/30/56/40/853305640.db2.gz ZOYXQHKBMNWXHL-APHBMKBZSA-N 2 2 368.503 0.081 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023136 853356793 /nfs/dbraw/zinc/35/67/93/853356793.db2.gz BNFKWNNESNBERI-IAGOWNOFSA-N 2 2 350.463 0.774 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023136 853356798 /nfs/dbraw/zinc/35/67/98/853356798.db2.gz BNFKWNNESNBERI-IAGOWNOFSA-N 2 2 350.463 0.774 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001199370169 853413433 /nfs/dbraw/zinc/41/34/33/853413433.db2.gz NQTBVMDRAULPJJ-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001199370169 853413442 /nfs/dbraw/zinc/41/34/42/853413442.db2.gz NQTBVMDRAULPJJ-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP COCCN(C(=S)NCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC001199942766 853464782 /nfs/dbraw/zinc/46/47/82/853464782.db2.gz QXWUNGKZTUTISX-UHFFFAOYSA-N 2 2 358.552 0.626 20 0 FCADLP CC(C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001200781704 853510629 /nfs/dbraw/zinc/51/06/29/853510629.db2.gz XVSWSBLXSSRRHN-UHFFFAOYSA-N 2 2 355.552 0.440 20 0 FCADLP CC(C)NC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001200781704 853510636 /nfs/dbraw/zinc/51/06/36/853510636.db2.gz XVSWSBLXSSRRHN-UHFFFAOYSA-N 2 2 355.552 0.440 20 0 FCADLP COCCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202553554 853567931 /nfs/dbraw/zinc/56/79/31/853567931.db2.gz ZWGZVDAATOONOD-HZPDHXFCSA-N 2 2 350.463 0.767 20 0 FCADLP COC[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325558 853678627 /nfs/dbraw/zinc/67/86/27/853678627.db2.gz LQLYZJJRMWQIPG-BZUAXINKSA-N 2 2 350.463 0.359 20 0 FCADLP COc1cc(Br)cn2ncc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c12 ZINC001206480506 853692360 /nfs/dbraw/zinc/69/23/60/853692360.db2.gz AADDPXCLKFRYEQ-JOYOIKCWSA-N 2 2 355.236 0.857 20 0 FCADLP COc1cc(Br)cn2ncc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c12 ZINC001206480506 853692371 /nfs/dbraw/zinc/69/23/71/853692371.db2.gz AADDPXCLKFRYEQ-JOYOIKCWSA-N 2 2 355.236 0.857 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919502 853752129 /nfs/dbraw/zinc/75/21/29/853752129.db2.gz WRQIKZZUIMNQJY-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919502 853752133 /nfs/dbraw/zinc/75/21/33/853752133.db2.gz WRQIKZZUIMNQJY-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919496 853752467 /nfs/dbraw/zinc/75/24/67/853752467.db2.gz WNLDROOIORTXAG-BZUAXINKSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919496 853752471 /nfs/dbraw/zinc/75/24/71/853752471.db2.gz WNLDROOIORTXAG-BZUAXINKSA-N 2 2 352.479 0.812 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207263399 853795622 /nfs/dbraw/zinc/79/56/22/853795622.db2.gz RYXWBHSAZXIKIG-FVQBIDKESA-N 2 2 356.486 0.629 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001207263399 853795625 /nfs/dbraw/zinc/79/56/25/853795625.db2.gz RYXWBHSAZXIKIG-FVQBIDKESA-N 2 2 356.486 0.629 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CC(C)(C)C[NH+](C)C)CC[C@@H]2C1 ZINC001207280456 853796552 /nfs/dbraw/zinc/79/65/52/853796552.db2.gz SRWSLHNGVYKGDB-IAGOWNOFSA-N 3 2 354.539 0.685 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CC(C)(C)C[NH+](C)C)CC[C@@H]2C1 ZINC001207280456 853796554 /nfs/dbraw/zinc/79/65/54/853796554.db2.gz SRWSLHNGVYKGDB-IAGOWNOFSA-N 3 2 354.539 0.685 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CC(C)(C)C[NH+](C)C)CC[C@@H]2C1 ZINC001207280456 853796557 /nfs/dbraw/zinc/79/65/57/853796557.db2.gz SRWSLHNGVYKGDB-IAGOWNOFSA-N 3 2 354.539 0.685 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CC(C)(C)C[NH+](C)C)CC[C@@H]2C1 ZINC001207280456 853796560 /nfs/dbraw/zinc/79/65/60/853796560.db2.gz SRWSLHNGVYKGDB-IAGOWNOFSA-N 3 2 354.539 0.685 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708729 853844950 /nfs/dbraw/zinc/84/49/50/853844950.db2.gz IAGKZERKVAGKMI-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708729 853844954 /nfs/dbraw/zinc/84/49/54/853844954.db2.gz IAGKZERKVAGKMI-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207708729 853844959 /nfs/dbraw/zinc/84/49/59/853844959.db2.gz IAGKZERKVAGKMI-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207708729 853844961 /nfs/dbraw/zinc/84/49/61/853844961.db2.gz IAGKZERKVAGKMI-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)C2 ZINC001207761127 853855618 /nfs/dbraw/zinc/85/56/18/853855618.db2.gz GVIOQQICRGRIFQ-SUYBPPKGSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)C2 ZINC001207761127 853855621 /nfs/dbraw/zinc/85/56/21/853855621.db2.gz GVIOQQICRGRIFQ-SUYBPPKGSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)CC2 ZINC001207761127 853855624 /nfs/dbraw/zinc/85/56/24/853855624.db2.gz GVIOQQICRGRIFQ-SUYBPPKGSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)CC2 ZINC001207761127 853855626 /nfs/dbraw/zinc/85/56/26/853855626.db2.gz GVIOQQICRGRIFQ-SUYBPPKGSA-N 2 2 350.463 0.268 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405342 853927862 /nfs/dbraw/zinc/92/78/62/853927862.db2.gz SNOSEMWNOYUYKY-RBSFLKMASA-N 2 2 363.449 0.814 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405342 853927867 /nfs/dbraw/zinc/92/78/67/853927867.db2.gz SNOSEMWNOYUYKY-RBSFLKMASA-N 2 2 363.449 0.814 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405342 853927871 /nfs/dbraw/zinc/92/78/71/853927871.db2.gz SNOSEMWNOYUYKY-RBSFLKMASA-N 2 2 363.449 0.814 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405342 853927876 /nfs/dbraw/zinc/92/78/76/853927876.db2.gz SNOSEMWNOYUYKY-RBSFLKMASA-N 2 2 363.449 0.814 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496455 853943151 /nfs/dbraw/zinc/94/31/51/853943151.db2.gz SSPGSHUNIRRJEN-UPJWGTAASA-N 2 2 364.412 0.538 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496455 853943166 /nfs/dbraw/zinc/94/31/66/853943166.db2.gz SSPGSHUNIRRJEN-UPJWGTAASA-N 2 2 364.412 0.538 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208590501 853957507 /nfs/dbraw/zinc/95/75/07/853957507.db2.gz GXQWRQCIYQSQRI-ZMSDIMECSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001208590501 853957517 /nfs/dbraw/zinc/95/75/17/853957517.db2.gz GXQWRQCIYQSQRI-ZMSDIMECSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208590501 853957528 /nfs/dbraw/zinc/95/75/28/853957528.db2.gz GXQWRQCIYQSQRI-ZMSDIMECSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208590501 853957537 /nfs/dbraw/zinc/95/75/37/853957537.db2.gz GXQWRQCIYQSQRI-ZMSDIMECSA-N 2 2 350.507 0.633 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001208604831 853958949 /nfs/dbraw/zinc/95/89/49/853958949.db2.gz KAQHTSSHMBWNPM-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001208604831 853958957 /nfs/dbraw/zinc/95/89/57/853958957.db2.gz KAQHTSSHMBWNPM-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001208604831 853958965 /nfs/dbraw/zinc/95/89/65/853958965.db2.gz KAQHTSSHMBWNPM-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001208604831 853958968 /nfs/dbraw/zinc/95/89/68/853958968.db2.gz KAQHTSSHMBWNPM-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208598174 853959383 /nfs/dbraw/zinc/95/93/83/853959383.db2.gz YIAFYMHGCAQAGY-HBUWYVDXSA-N 2 2 356.486 0.772 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208598174 853959385 /nfs/dbraw/zinc/95/93/85/853959385.db2.gz YIAFYMHGCAQAGY-HBUWYVDXSA-N 2 2 356.486 0.772 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001208598174 853959389 /nfs/dbraw/zinc/95/93/89/853959389.db2.gz YIAFYMHGCAQAGY-HBUWYVDXSA-N 2 2 356.486 0.772 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001208598174 853959392 /nfs/dbraw/zinc/95/93/92/853959392.db2.gz YIAFYMHGCAQAGY-HBUWYVDXSA-N 2 2 356.486 0.772 20 0 FCADLP C[NH+]1CCN(C2C[NH+](C[C@@H]3COCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208985284 853988043 /nfs/dbraw/zinc/98/80/43/853988043.db2.gz SDRQPJXWTJKEOE-MRXNPFEDSA-N 2 2 354.495 0.554 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1C ZINC001210603248 854119024 /nfs/dbraw/zinc/11/90/24/854119024.db2.gz FJRYSTORSDDZKP-FRFSOERESA-N 2 2 350.463 0.893 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1C ZINC001210603248 854119030 /nfs/dbraw/zinc/11/90/30/854119030.db2.gz FJRYSTORSDDZKP-FRFSOERESA-N 2 2 350.463 0.893 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210723592 854130832 /nfs/dbraw/zinc/13/08/32/854130832.db2.gz OBYAGWQPUIQBEM-IJEWVQPXSA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210723592 854130837 /nfs/dbraw/zinc/13/08/37/854130837.db2.gz OBYAGWQPUIQBEM-IJEWVQPXSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046019 854150595 /nfs/dbraw/zinc/15/05/95/854150595.db2.gz HDTKDSJCOVYRPH-VNHYZAJKSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046019 854150601 /nfs/dbraw/zinc/15/06/01/854150601.db2.gz HDTKDSJCOVYRPH-VNHYZAJKSA-N 2 2 367.519 0.751 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001211184310 854167747 /nfs/dbraw/zinc/16/77/47/854167747.db2.gz RKKUWFDVTAQXOZ-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001211184310 854167752 /nfs/dbraw/zinc/16/77/52/854167752.db2.gz RKKUWFDVTAQXOZ-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211184310 854167759 /nfs/dbraw/zinc/16/77/59/854167759.db2.gz RKKUWFDVTAQXOZ-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211184310 854167763 /nfs/dbraw/zinc/16/77/63/854167763.db2.gz RKKUWFDVTAQXOZ-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212353478 854448126 /nfs/dbraw/zinc/44/81/26/854448126.db2.gz RVLBPJJTWKLTCF-MGPQQGTHSA-N 2 2 369.428 0.763 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212353478 854448132 /nfs/dbraw/zinc/44/81/32/854448132.db2.gz RVLBPJJTWKLTCF-MGPQQGTHSA-N 2 2 369.428 0.763 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212353706 854448433 /nfs/dbraw/zinc/44/84/33/854448433.db2.gz YZBYPCFRVMMVBI-BZUAXINKSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212353706 854448435 /nfs/dbraw/zinc/44/84/35/854448435.db2.gz YZBYPCFRVMMVBI-BZUAXINKSA-N 2 2 356.442 0.978 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403782 854464630 /nfs/dbraw/zinc/46/46/30/854464630.db2.gz VEYHTVMOAOORAA-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403782 854464638 /nfs/dbraw/zinc/46/46/38/854464638.db2.gz VEYHTVMOAOORAA-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC)[NH+](C)C ZINC001212461271 854488480 /nfs/dbraw/zinc/48/84/80/854488480.db2.gz UJCXHTDZNUXOMT-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC)[NH+](C)C ZINC001212461271 854488481 /nfs/dbraw/zinc/48/84/81/854488481.db2.gz UJCXHTDZNUXOMT-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213243904 854548290 /nfs/dbraw/zinc/54/82/90/854548290.db2.gz PQTZOILKBXXMCC-BZUAXINKSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213243904 854548292 /nfs/dbraw/zinc/54/82/92/854548292.db2.gz PQTZOILKBXXMCC-BZUAXINKSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213344318 854582784 /nfs/dbraw/zinc/58/27/84/854582784.db2.gz MBXTZSRLCGPARV-CHWSQXEVSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213344318 854582786 /nfs/dbraw/zinc/58/27/86/854582786.db2.gz MBXTZSRLCGPARV-CHWSQXEVSA-N 2 2 367.412 0.723 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348751 854584469 /nfs/dbraw/zinc/58/44/69/854584469.db2.gz URQDIOZRLSEULA-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348751 854584480 /nfs/dbraw/zinc/58/44/80/854584480.db2.gz URQDIOZRLSEULA-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c(C)n1 ZINC001213370308 854591366 /nfs/dbraw/zinc/59/13/66/854591366.db2.gz DVTNXWHAXQCODP-HUUCEWRRSA-N 2 2 351.451 0.061 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)c(C)n1 ZINC001213370308 854591375 /nfs/dbraw/zinc/59/13/75/854591375.db2.gz DVTNXWHAXQCODP-HUUCEWRRSA-N 2 2 351.451 0.061 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399914 854602037 /nfs/dbraw/zinc/60/20/37/854602037.db2.gz QZKQTYXMGAGUPO-BZUAXINKSA-N 2 2 371.913 0.938 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399914 854602045 /nfs/dbraw/zinc/60/20/45/854602045.db2.gz QZKQTYXMGAGUPO-BZUAXINKSA-N 2 2 371.913 0.938 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434849 854614583 /nfs/dbraw/zinc/61/45/83/854614583.db2.gz NJFLENOKUKIUMV-OWCLPIDISA-N 2 2 356.511 0.447 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434849 854614587 /nfs/dbraw/zinc/61/45/87/854614587.db2.gz NJFLENOKUKIUMV-OWCLPIDISA-N 2 2 356.511 0.447 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442445 854618088 /nfs/dbraw/zinc/61/80/88/854618088.db2.gz RJNCAZILBSNSHG-HZPDHXFCSA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442445 854618101 /nfs/dbraw/zinc/61/81/01/854618101.db2.gz RJNCAZILBSNSHG-HZPDHXFCSA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442445 854618111 /nfs/dbraw/zinc/61/81/11/854618111.db2.gz RJNCAZILBSNSHG-HZPDHXFCSA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442445 854618115 /nfs/dbraw/zinc/61/81/15/854618115.db2.gz RJNCAZILBSNSHG-HZPDHXFCSA-N 2 2 357.495 0.197 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1OC)[NH+](C)C ZINC001213457728 854625447 /nfs/dbraw/zinc/62/54/47/854625447.db2.gz BURHRDOYXWYQEC-QLFBSQMISA-N 2 2 357.886 0.692 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001213614181 854686217 /nfs/dbraw/zinc/68/62/17/854686217.db2.gz MTZIKUSQLKVTKV-HUUCEWRRSA-N 2 2 363.449 0.815 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001213614181 854686220 /nfs/dbraw/zinc/68/62/20/854686220.db2.gz MTZIKUSQLKVTKV-HUUCEWRRSA-N 2 2 363.449 0.815 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213718881 854732222 /nfs/dbraw/zinc/73/22/22/854732222.db2.gz FAKAEIQACYPUOV-BRWVUGGUSA-N 2 2 350.463 0.593 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213718881 854732233 /nfs/dbraw/zinc/73/22/33/854732233.db2.gz FAKAEIQACYPUOV-BRWVUGGUSA-N 2 2 350.463 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747857 854748863 /nfs/dbraw/zinc/74/88/63/854748863.db2.gz UAHQZIGRQGNCOD-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747857 854748866 /nfs/dbraw/zinc/74/88/66/854748866.db2.gz UAHQZIGRQGNCOD-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781186 854763518 /nfs/dbraw/zinc/76/35/18/854763518.db2.gz LIPSAMDYKGREEB-IAGOWNOFSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781186 854763521 /nfs/dbraw/zinc/76/35/21/854763521.db2.gz LIPSAMDYKGREEB-IAGOWNOFSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860047 854796178 /nfs/dbraw/zinc/79/61/78/854796178.db2.gz RHAUZFKZRVRSFY-JHJVBQTASA-N 2 2 353.385 0.211 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860047 854796184 /nfs/dbraw/zinc/79/61/84/854796184.db2.gz RHAUZFKZRVRSFY-JHJVBQTASA-N 2 2 353.385 0.211 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927392 854828804 /nfs/dbraw/zinc/82/88/04/854828804.db2.gz HIFJWGLHRLBWHB-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927392 854828809 /nfs/dbraw/zinc/82/88/09/854828809.db2.gz HIFJWGLHRLBWHB-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927392 854828812 /nfs/dbraw/zinc/82/88/12/854828812.db2.gz HIFJWGLHRLBWHB-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927392 854828816 /nfs/dbraw/zinc/82/88/16/854828816.db2.gz HIFJWGLHRLBWHB-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)ccn1 ZINC001213927347 854829613 /nfs/dbraw/zinc/82/96/13/854829613.db2.gz DTBHKBJRWJOIEN-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)ccn1 ZINC001213927347 854829616 /nfs/dbraw/zinc/82/96/16/854829616.db2.gz DTBHKBJRWJOIEN-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)ccn1 ZINC001213927347 854829622 /nfs/dbraw/zinc/82/96/22/854829622.db2.gz DTBHKBJRWJOIEN-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)ccn1 ZINC001213927347 854829625 /nfs/dbraw/zinc/82/96/25/854829625.db2.gz DTBHKBJRWJOIEN-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929941 854830445 /nfs/dbraw/zinc/83/04/45/854830445.db2.gz SFNQLUAMWFJABU-RBSFLKMASA-N 2 2 356.511 0.445 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929941 854830453 /nfs/dbraw/zinc/83/04/53/854830453.db2.gz SFNQLUAMWFJABU-RBSFLKMASA-N 2 2 356.511 0.445 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929941 854830456 /nfs/dbraw/zinc/83/04/56/854830456.db2.gz SFNQLUAMWFJABU-RBSFLKMASA-N 2 2 356.511 0.445 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929941 854830461 /nfs/dbraw/zinc/83/04/61/854830461.db2.gz SFNQLUAMWFJABU-RBSFLKMASA-N 2 2 356.511 0.445 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001214531246 854964381 /nfs/dbraw/zinc/96/43/81/854964381.db2.gz UQZAPRIRVYDOKY-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)C2 ZINC001215006448 855050553 /nfs/dbraw/zinc/05/05/53/855050553.db2.gz WSWUUSLGXCMWPS-AXAPSJFSSA-N 2 2 368.503 0.304 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1)CC2 ZINC001215006448 855050561 /nfs/dbraw/zinc/05/05/61/855050561.db2.gz WSWUUSLGXCMWPS-AXAPSJFSSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001215268970 855092374 /nfs/dbraw/zinc/09/23/74/855092374.db2.gz FYMYBEZEISQHIU-VXGBXAGGSA-N 2 2 361.368 0.388 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC001215269399 855092472 /nfs/dbraw/zinc/09/24/72/855092472.db2.gz YVBHYTUOTIVDSA-CHWSQXEVSA-N 2 2 362.459 0.805 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268949 855092499 /nfs/dbraw/zinc/09/24/99/855092499.db2.gz FDCRMDTUFWXSTR-HUUCEWRRSA-N 2 2 371.507 0.039 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001215269339 855092507 /nfs/dbraw/zinc/09/25/07/855092507.db2.gz WQUREOKDGVAWQL-RRFJBIMHSA-N 2 2 356.492 0.390 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1 ZINC001215413759 855111866 /nfs/dbraw/zinc/11/18/66/855111866.db2.gz LPBFTCFNLMMGKP-CHWSQXEVSA-N 2 2 351.451 0.494 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215511655 855123108 /nfs/dbraw/zinc/12/31/08/855123108.db2.gz MRKAZNRMRJWZHU-UMVBOHGHSA-N 2 2 368.503 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001215685941 855136533 /nfs/dbraw/zinc/13/65/33/855136533.db2.gz WOZZSURDUGIGJX-ZYHUDNBSSA-N 2 2 361.368 0.409 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001216392644 855198307 /nfs/dbraw/zinc/19/83/07/855198307.db2.gz KMTCJICVCIMQCO-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC001216565792 855212924 /nfs/dbraw/zinc/21/29/24/855212924.db2.gz NTSJGVTVKRVPRR-FRFSOERESA-N 2 2 350.463 0.893 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001218624046 855452703 /nfs/dbraw/zinc/45/27/03/855452703.db2.gz LEAPNSLRHLBEBS-QLFBSQMISA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001218624046 855452707 /nfs/dbraw/zinc/45/27/07/855452707.db2.gz LEAPNSLRHLBEBS-QLFBSQMISA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001218624046 855452709 /nfs/dbraw/zinc/45/27/09/855452709.db2.gz LEAPNSLRHLBEBS-QLFBSQMISA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001218624046 855452714 /nfs/dbraw/zinc/45/27/14/855452714.db2.gz LEAPNSLRHLBEBS-QLFBSQMISA-N 2 2 361.433 0.664 20 0 FCADLP CSc1nc(Br)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n2ccnc12 ZINC001218687747 855464656 /nfs/dbraw/zinc/46/46/56/855464656.db2.gz ARTXPGVTCVMODQ-RQJHMYQMSA-N 2 2 371.264 0.841 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218751974 855474303 /nfs/dbraw/zinc/47/43/03/855474303.db2.gz CTHXUVKSGKLJHN-BHYGNILZSA-N 2 2 350.463 0.927 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC001218751974 855474313 /nfs/dbraw/zinc/47/43/13/855474313.db2.gz CTHXUVKSGKLJHN-BHYGNILZSA-N 2 2 350.463 0.927 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218797773 855480192 /nfs/dbraw/zinc/48/01/92/855480192.db2.gz WTURZAFLQPXAAN-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218797773 855480196 /nfs/dbraw/zinc/48/01/96/855480196.db2.gz WTURZAFLQPXAAN-UONOGXRCSA-N 2 2 367.412 0.819 20 0 FCADLP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218893737 855492664 /nfs/dbraw/zinc/49/26/64/855492664.db2.gz FKAPJPNZPNOMIF-LBPRGKRZSA-N 2 2 351.432 0.179 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004423 855510924 /nfs/dbraw/zinc/51/09/24/855510924.db2.gz JMHOPDFVRVODGH-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004423 855510930 /nfs/dbraw/zinc/51/09/30/855510930.db2.gz JMHOPDFVRVODGH-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004423 855510934 /nfs/dbraw/zinc/51/09/34/855510934.db2.gz JMHOPDFVRVODGH-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004423 855510939 /nfs/dbraw/zinc/51/09/39/855510939.db2.gz JMHOPDFVRVODGH-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033397 855519234 /nfs/dbraw/zinc/51/92/34/855519234.db2.gz JDNWKYMAUDEPSQ-OWCLPIDISA-N 2 2 352.479 0.038 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033397 855519240 /nfs/dbraw/zinc/51/92/40/855519240.db2.gz JDNWKYMAUDEPSQ-OWCLPIDISA-N 2 2 352.479 0.038 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219552904 855710459 /nfs/dbraw/zinc/71/04/59/855710459.db2.gz NGTBKWJGTFGFQZ-PMPSAXMXSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219552904 855710467 /nfs/dbraw/zinc/71/04/67/855710467.db2.gz NGTBKWJGTFGFQZ-PMPSAXMXSA-N 2 2 350.463 0.709 20 0 FCADLP O=C(CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cccc(Br)c1 ZINC001219577799 855720482 /nfs/dbraw/zinc/72/04/82/855720482.db2.gz NJIZDRMHHGDKIE-IAQYHMDHSA-N 2 2 352.232 0.700 20 0 FCADLP [NH3+]C1(C(=O)N[C@H](CO)[C@@H](O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001219580094 855721414 /nfs/dbraw/zinc/72/14/14/855721414.db2.gz JPPUNBZCFASCLZ-OLZOCXBDSA-N 2 2 372.263 0.041 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219726291 855787385 /nfs/dbraw/zinc/78/73/85/855787385.db2.gz WPUBCNHUWWOMAO-CFVMTHIKSA-N 2 2 355.504 0.746 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219726291 855787397 /nfs/dbraw/zinc/78/73/97/855787397.db2.gz WPUBCNHUWWOMAO-CFVMTHIKSA-N 2 2 355.504 0.746 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)o1 ZINC001219802593 855820636 /nfs/dbraw/zinc/82/06/36/855820636.db2.gz VUHFSFGGCYUNFW-KGLIPLIRSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)o1 ZINC001219802593 855820640 /nfs/dbraw/zinc/82/06/40/855820640.db2.gz VUHFSFGGCYUNFW-KGLIPLIRSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2O)c[nH+]1 ZINC001219864676 855852032 /nfs/dbraw/zinc/85/20/32/855852032.db2.gz WBPQEWZTNWYMNU-CVEARBPZSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2O)c[nH+]1 ZINC001219864676 855852041 /nfs/dbraw/zinc/85/20/41/855852041.db2.gz WBPQEWZTNWYMNU-CVEARBPZSA-N 2 2 350.463 0.515 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001219878051 855858856 /nfs/dbraw/zinc/85/88/56/855858856.db2.gz YDGNXPMYXCVRPH-CVEARBPZSA-N 2 2 367.515 0.768 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001219878051 855858858 /nfs/dbraw/zinc/85/88/58/855858858.db2.gz YDGNXPMYXCVRPH-CVEARBPZSA-N 2 2 367.515 0.768 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219903097 855872079 /nfs/dbraw/zinc/87/20/79/855872079.db2.gz SLAWZHPYAHMQOZ-KGLIPLIRSA-N 2 2 370.519 0.110 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219903097 855872084 /nfs/dbraw/zinc/87/20/84/855872084.db2.gz SLAWZHPYAHMQOZ-KGLIPLIRSA-N 2 2 370.519 0.110 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219903097 855872089 /nfs/dbraw/zinc/87/20/89/855872089.db2.gz SLAWZHPYAHMQOZ-KGLIPLIRSA-N 2 2 370.519 0.110 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001219903097 855872094 /nfs/dbraw/zinc/87/20/94/855872094.db2.gz SLAWZHPYAHMQOZ-KGLIPLIRSA-N 2 2 370.519 0.110 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908582 855875547 /nfs/dbraw/zinc/87/55/47/855875547.db2.gz LLRUVGZVLGLSHX-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908582 855875548 /nfs/dbraw/zinc/87/55/48/855875548.db2.gz LLRUVGZVLGLSHX-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001219951863 855894211 /nfs/dbraw/zinc/89/42/11/855894211.db2.gz FEOGKZBMVSCTHH-WHOFXGATSA-N 2 2 369.535 0.988 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017508 855920293 /nfs/dbraw/zinc/92/02/93/855920293.db2.gz FWYIGRPMEIBEAU-WBVHZDCISA-N 2 2 350.463 0.350 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017508 855920296 /nfs/dbraw/zinc/92/02/96/855920296.db2.gz FWYIGRPMEIBEAU-WBVHZDCISA-N 2 2 350.463 0.350 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220051419 855933435 /nfs/dbraw/zinc/93/34/35/855933435.db2.gz ACJQWOYENQWFCL-ZNMIVQPWSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220051419 855933439 /nfs/dbraw/zinc/93/34/39/855933439.db2.gz ACJQWOYENQWFCL-ZNMIVQPWSA-N 2 2 350.463 0.329 20 0 FCADLP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220071443 855945783 /nfs/dbraw/zinc/94/57/83/855945783.db2.gz DDODBZXLUUEKTH-NSHDSACASA-N 2 2 361.368 0.765 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)on1 ZINC001220072368 855947109 /nfs/dbraw/zinc/94/71/09/855947109.db2.gz RWTODFCJLVZFMZ-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)on1 ZINC001220072368 855947111 /nfs/dbraw/zinc/94/71/11/855947111.db2.gz RWTODFCJLVZFMZ-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](CC)CC ZINC001220344552 856076901 /nfs/dbraw/zinc/07/69/01/856076901.db2.gz CECBMJXTYBUVOS-PMPSAXMXSA-N 2 2 371.913 0.818 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](CC)CC ZINC001220344552 856076904 /nfs/dbraw/zinc/07/69/04/856076904.db2.gz CECBMJXTYBUVOS-PMPSAXMXSA-N 2 2 371.913 0.818 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@@H]1O)[NH+](CC)CC ZINC001220344929 856077143 /nfs/dbraw/zinc/07/71/43/856077143.db2.gz LMDQAKZUYLQZDG-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@@H]1O)[NH+](CC)CC ZINC001220344929 856077146 /nfs/dbraw/zinc/07/71/46/856077146.db2.gz LMDQAKZUYLQZDG-OAGGEKHMSA-N 2 2 356.511 0.137 20 0 FCADLP CC(C)([NH3+])CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)S(=O)(=O)c1ccccc1 ZINC001220536219 856171225 /nfs/dbraw/zinc/17/12/25/856171225.db2.gz ZASKGTJNCSEUJC-CPUCHLNUSA-N 3 2 366.487 0.163 20 0 FCADLP CC(C)([NH3+])CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535618 856171271 /nfs/dbraw/zinc/17/12/71/856171271.db2.gz HGCYVUGANGOMTH-AWEZNQCLSA-N 3 2 356.492 0.398 20 0 FCADLP COc1ccc(CSC[C@H]([NH3+])C(=O)NCC[NH+]2CC3(COC3)C2)cc1 ZINC001220570947 856189728 /nfs/dbraw/zinc/18/97/28/856189728.db2.gz DQZURFRVAKDOAJ-INIZCTEOSA-N 2 2 365.499 0.704 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220575338 856190814 /nfs/dbraw/zinc/19/08/14/856190814.db2.gz SRITVYFISYCKIQ-IKGGRYGDSA-N 2 2 353.438 0.362 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001220575338 856190817 /nfs/dbraw/zinc/19/08/17/856190817.db2.gz SRITVYFISYCKIQ-IKGGRYGDSA-N 2 2 353.438 0.362 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220574436 856191170 /nfs/dbraw/zinc/19/11/70/856191170.db2.gz BBMOAYAPIJZDKL-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220574436 856191177 /nfs/dbraw/zinc/19/11/77/856191177.db2.gz BBMOAYAPIJZDKL-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220817445 856320529 /nfs/dbraw/zinc/32/05/29/856320529.db2.gz WONIAKOZXLUYDG-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220817445 856320540 /nfs/dbraw/zinc/32/05/40/856320540.db2.gz WONIAKOZXLUYDG-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220817445 856320544 /nfs/dbraw/zinc/32/05/44/856320544.db2.gz WONIAKOZXLUYDG-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220817445 856320546 /nfs/dbraw/zinc/32/05/46/856320546.db2.gz WONIAKOZXLUYDG-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2oc(CC)nc2C)C[C@@H]1O ZINC001220825922 856325561 /nfs/dbraw/zinc/32/55/61/856325561.db2.gz JVUADQFWSVNTPZ-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2oc(CC)nc2C)C[C@@H]1O ZINC001220825922 856325570 /nfs/dbraw/zinc/32/55/70/856325570.db2.gz JVUADQFWSVNTPZ-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@@H]1O ZINC001220825922 856325579 /nfs/dbraw/zinc/32/55/79/856325579.db2.gz JVUADQFWSVNTPZ-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@@H]1O ZINC001220825922 856325583 /nfs/dbraw/zinc/32/55/83/856325583.db2.gz JVUADQFWSVNTPZ-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220829519 856328050 /nfs/dbraw/zinc/32/80/50/856328050.db2.gz VVVZCQLRMUHHKP-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220829519 856328057 /nfs/dbraw/zinc/32/80/57/856328057.db2.gz VVVZCQLRMUHHKP-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220829519 856328061 /nfs/dbraw/zinc/32/80/61/856328061.db2.gz VVVZCQLRMUHHKP-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220829519 856328066 /nfs/dbraw/zinc/32/80/66/856328066.db2.gz VVVZCQLRMUHHKP-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)C1 ZINC001220888138 856359524 /nfs/dbraw/zinc/35/95/24/856359524.db2.gz BGMGKWWHMWGMDO-BNICSPFPSA-N 2 2 350.463 0.329 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@@H](O)C2)C1 ZINC001220888138 856359533 /nfs/dbraw/zinc/35/95/33/856359533.db2.gz BGMGKWWHMWGMDO-BNICSPFPSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CC1 ZINC001220888784 856360287 /nfs/dbraw/zinc/36/02/87/856360287.db2.gz WXYMAXAHYROXNY-IKGGRYGDSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CC1 ZINC001220888784 856360290 /nfs/dbraw/zinc/36/02/90/856360290.db2.gz WXYMAXAHYROXNY-IKGGRYGDSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220888695 856361090 /nfs/dbraw/zinc/36/10/90/856361090.db2.gz SWFJRLDLHMGPRX-OIISXLGYSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220888695 856361100 /nfs/dbraw/zinc/36/11/00/856361100.db2.gz SWFJRLDLHMGPRX-OIISXLGYSA-N 2 2 350.463 0.331 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220919148 856374909 /nfs/dbraw/zinc/37/49/09/856374909.db2.gz VPJNAWLVNRGKHZ-ZNMIVQPWSA-N 2 2 368.275 0.862 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220919148 856374913 /nfs/dbraw/zinc/37/49/13/856374913.db2.gz VPJNAWLVNRGKHZ-ZNMIVQPWSA-N 2 2 368.275 0.862 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccn(CC(F)(F)F)c(=O)c1 ZINC001220987554 856408400 /nfs/dbraw/zinc/40/84/00/856408400.db2.gz AXOCPZMHLXVDPQ-GFCCVEGCSA-N 2 2 361.368 0.100 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161534 856492942 /nfs/dbraw/zinc/49/29/42/856492942.db2.gz RDHIKCZLTKJYSH-CABCVRRESA-N 2 2 363.487 0.832 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161534 856492946 /nfs/dbraw/zinc/49/29/46/856492946.db2.gz RDHIKCZLTKJYSH-CABCVRRESA-N 2 2 363.487 0.832 20 0 FCADLP CC[N@@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC001221460691 856574588 /nfs/dbraw/zinc/57/45/88/856574588.db2.gz KQKREXKHHRXKPD-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@H](C)C1 ZINC001221460691 856574591 /nfs/dbraw/zinc/57/45/91/856574591.db2.gz KQKREXKHHRXKPD-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560814 856606292 /nfs/dbraw/zinc/60/62/92/856606292.db2.gz JEEWFQBEKBGSIV-QBPKDAKJSA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560814 856606297 /nfs/dbraw/zinc/60/62/97/856606297.db2.gz JEEWFQBEKBGSIV-QBPKDAKJSA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560814 856606302 /nfs/dbraw/zinc/60/63/02/856606302.db2.gz JEEWFQBEKBGSIV-QBPKDAKJSA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560814 856606306 /nfs/dbraw/zinc/60/63/06/856606306.db2.gz JEEWFQBEKBGSIV-QBPKDAKJSA-N 2 2 350.507 0.632 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712585 856660367 /nfs/dbraw/zinc/66/03/67/856660367.db2.gz HRADSECEYOWXPZ-ARFHVFGLSA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712585 856660371 /nfs/dbraw/zinc/66/03/71/856660371.db2.gz HRADSECEYOWXPZ-ARFHVFGLSA-N 2 2 350.507 0.905 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972828 856754088 /nfs/dbraw/zinc/75/40/88/856754088.db2.gz LMUVLHYXIHHLLT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972828 856754098 /nfs/dbraw/zinc/75/40/98/856754098.db2.gz LMUVLHYXIHHLLT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972828 856754107 /nfs/dbraw/zinc/75/41/07/856754107.db2.gz LMUVLHYXIHHLLT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221972828 856754117 /nfs/dbraw/zinc/75/41/17/856754117.db2.gz LMUVLHYXIHHLLT-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014036 856768991 /nfs/dbraw/zinc/76/89/91/856768991.db2.gz SNHGFODVOFQOGL-BZUAXINKSA-N 2 2 369.531 0.296 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014036 856768995 /nfs/dbraw/zinc/76/89/95/856768995.db2.gz SNHGFODVOFQOGL-BZUAXINKSA-N 2 2 369.531 0.296 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014036 856768999 /nfs/dbraw/zinc/76/89/99/856768999.db2.gz SNHGFODVOFQOGL-BZUAXINKSA-N 2 2 369.531 0.296 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014036 856769002 /nfs/dbraw/zinc/76/90/02/856769002.db2.gz SNHGFODVOFQOGL-BZUAXINKSA-N 2 2 369.531 0.296 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224307295 856977285 /nfs/dbraw/zinc/97/72/85/856977285.db2.gz ZLFOVXGLHXRZND-ZACQAIPSSA-N 2 2 350.463 0.593 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224307295 856977289 /nfs/dbraw/zinc/97/72/89/856977289.db2.gz ZLFOVXGLHXRZND-ZACQAIPSSA-N 2 2 350.463 0.593 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227166124 857146451 /nfs/dbraw/zinc/14/64/51/857146451.db2.gz SKQLYQMPLKISJQ-FVQBIDKESA-N 2 2 368.503 0.507 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227166158 857146818 /nfs/dbraw/zinc/14/68/18/857146818.db2.gz UBROXOSJRIUPOX-BZUAXINKSA-N 2 2 350.463 0.471 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1)CS(C)(=O)=O ZINC001227848922 857180733 /nfs/dbraw/zinc/18/07/33/857180733.db2.gz XTVLDGKJFSABML-BZUAXINKSA-N 2 2 370.519 0.971 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001228376768 857207757 /nfs/dbraw/zinc/20/77/57/857207757.db2.gz COAHLATZNPFCNB-ZIAGYGMSSA-N 2 2 351.499 0.897 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O)n1cc[nH+]c1 ZINC001228853421 857233341 /nfs/dbraw/zinc/23/33/41/857233341.db2.gz OYIKRKXSJSYGJC-RBSFLKMASA-N 2 2 356.492 0.896 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)[nH]1 ZINC001229141316 857252517 /nfs/dbraw/zinc/25/25/17/857252517.db2.gz BBGWTMOLYVRMQH-HUUCEWRRSA-N 2 2 350.467 0.352 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001229940049 857293014 /nfs/dbraw/zinc/29/30/14/857293014.db2.gz UMQNZTSYIFRXMQ-BPLDGKMQSA-N 2 2 370.519 0.958 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352985 857328703 /nfs/dbraw/zinc/32/87/03/857328703.db2.gz YDIZHFFCFUNSBW-BRWVUGGUSA-N 2 2 352.479 0.934 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235727781 857431118 /nfs/dbraw/zinc/43/11/18/857431118.db2.gz ZSEJHYRQHBQAOH-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235727781 857431123 /nfs/dbraw/zinc/43/11/23/857431123.db2.gz ZSEJHYRQHBQAOH-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235727781 857431129 /nfs/dbraw/zinc/43/11/29/857431129.db2.gz ZSEJHYRQHBQAOH-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235727781 857431136 /nfs/dbraw/zinc/43/11/36/857431136.db2.gz ZSEJHYRQHBQAOH-BZUAXINKSA-N 2 2 354.495 0.105 20 0 FCADLP COC(=O)C1(NS(=O)(=O)CC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001238705379 857478560 /nfs/dbraw/zinc/47/85/60/857478560.db2.gz BFRWFOOXCNITEI-UHFFFAOYSA-N 2 2 355.460 0.072 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001239076494 857506053 /nfs/dbraw/zinc/50/60/53/857506053.db2.gz RDLOJCNXSMXVKM-UHFFFAOYSA-N 2 2 371.478 0.781 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001239076494 857506060 /nfs/dbraw/zinc/50/60/60/857506060.db2.gz RDLOJCNXSMXVKM-UHFFFAOYSA-N 2 2 371.478 0.781 20 0 FCADLP CCCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001244856688 857552556 /nfs/dbraw/zinc/55/25/56/857552556.db2.gz HRCDRGYLNKJHOQ-UHFFFAOYSA-N 2 2 355.552 0.441 20 0 FCADLP CCCNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001244856688 857552563 /nfs/dbraw/zinc/55/25/63/857552563.db2.gz HRCDRGYLNKJHOQ-UHFFFAOYSA-N 2 2 355.552 0.441 20 0 FCADLP CCCOC[C@H](O)C[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001246034677 857566044 /nfs/dbraw/zinc/56/60/44/857566044.db2.gz RPGDGQYEFSNUPW-VHDGCEQUSA-N 2 2 368.396 0.791 20 0 FCADLP CCCOC[C@H](O)C[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001246034677 857566056 /nfs/dbraw/zinc/56/60/56/857566056.db2.gz RPGDGQYEFSNUPW-VHDGCEQUSA-N 2 2 368.396 0.791 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246777583 857599736 /nfs/dbraw/zinc/59/97/36/857599736.db2.gz NMLHALYLVQRHFH-MRXNPFEDSA-N 2 2 364.515 0.395 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=S)NCC[NH+](C)C ZINC001249835037 857652413 /nfs/dbraw/zinc/65/24/13/857652413.db2.gz USNWJSWXKPGGLX-PBHICJAKSA-N 2 2 372.535 0.151 20 0 FCADLP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001251015682 857682132 /nfs/dbraw/zinc/68/21/32/857682132.db2.gz UARNZIQXIJYELC-HNNXBMFYSA-N 2 2 351.495 0.301 20 0 FCADLP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001251015682 857682137 /nfs/dbraw/zinc/68/21/37/857682137.db2.gz UARNZIQXIJYELC-HNNXBMFYSA-N 2 2 351.495 0.301 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@H+](CC(C)(C)O)C2 ZINC001252351401 857795916 /nfs/dbraw/zinc/79/59/16/857795916.db2.gz HHXYORBXYUYDKA-OAHLLOKOSA-N 2 2 352.479 0.439 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@@H+](CC(C)(C)O)C2 ZINC001252351401 857795919 /nfs/dbraw/zinc/79/59/19/857795919.db2.gz HHXYORBXYUYDKA-OAHLLOKOSA-N 2 2 352.479 0.439 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252676474 857830905 /nfs/dbraw/zinc/83/09/05/857830905.db2.gz NVQGSFZXTXZSPW-CYBMUJFWSA-N 2 2 354.451 0.110 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252676474 857830908 /nfs/dbraw/zinc/83/09/08/857830908.db2.gz NVQGSFZXTXZSPW-CYBMUJFWSA-N 2 2 354.451 0.110 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252678002 857832500 /nfs/dbraw/zinc/83/25/00/857832500.db2.gz ONAWFERRQCBGDI-MRXNPFEDSA-N 2 2 351.495 0.908 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252678002 857832507 /nfs/dbraw/zinc/83/25/07/857832507.db2.gz ONAWFERRQCBGDI-MRXNPFEDSA-N 2 2 351.495 0.908 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC001253388919 857885174 /nfs/dbraw/zinc/88/51/74/857885174.db2.gz QPNDVGPHJARYFL-ZJIFWQFVSA-N 2 2 355.479 0.379 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC001253388919 857885181 /nfs/dbraw/zinc/88/51/81/857885181.db2.gz QPNDVGPHJARYFL-ZJIFWQFVSA-N 2 2 355.479 0.379 20 0 FCADLP COCCOCN1CCO[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279616526 862982289 /nfs/dbraw/zinc/98/22/89/862982289.db2.gz AJAFQJQVMHCIRY-GOSISDBHSA-N 2 2 350.463 0.781 20 0 FCADLP COCCOCN1CCO[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001279616526 862982298 /nfs/dbraw/zinc/98/22/98/862982298.db2.gz AJAFQJQVMHCIRY-GOSISDBHSA-N 2 2 350.463 0.781 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256624023 858093526 /nfs/dbraw/zinc/09/35/26/858093526.db2.gz PKMCPNDRTCAFLG-FCLJQHQZSA-N 2 2 351.491 0.998 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256624023 858093537 /nfs/dbraw/zinc/09/35/37/858093537.db2.gz PKMCPNDRTCAFLG-FCLJQHQZSA-N 2 2 351.491 0.998 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001257236486 858130867 /nfs/dbraw/zinc/13/08/67/858130867.db2.gz MKHFKSMCDFHARP-IAGOWNOFSA-N 2 2 364.515 0.869 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258413291 858197436 /nfs/dbraw/zinc/19/74/36/858197436.db2.gz FXHPMZJBOARFFZ-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258413291 858197438 /nfs/dbraw/zinc/19/74/38/858197438.db2.gz FXHPMZJBOARFFZ-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H](F)C3)C2)CC1 ZINC001261467342 858557385 /nfs/dbraw/zinc/55/73/85/858557385.db2.gz GNFUJVJCJGYNCJ-KFWWJZLASA-N 2 2 354.470 0.668 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H](F)C3)C2)CC1 ZINC001261467342 858557390 /nfs/dbraw/zinc/55/73/90/858557390.db2.gz GNFUJVJCJGYNCJ-KFWWJZLASA-N 2 2 354.470 0.668 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001261507347 858571934 /nfs/dbraw/zinc/57/19/34/858571934.db2.gz VNCCXJQEANBXTN-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC001262592257 859012787 /nfs/dbraw/zinc/01/27/87/859012787.db2.gz LSQNXFLVOSTUDG-MRXNPFEDSA-N 2 2 354.882 0.966 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CC[NH+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913916 859069703 /nfs/dbraw/zinc/06/97/03/859069703.db2.gz UGFMDLNHYGWTME-HUUCEWRRSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CC[NH+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913916 859069708 /nfs/dbraw/zinc/06/97/08/859069708.db2.gz UGFMDLNHYGWTME-HUUCEWRRSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913916 859069713 /nfs/dbraw/zinc/06/97/13/859069713.db2.gz UGFMDLNHYGWTME-HUUCEWRRSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C)C1 ZINC001262913916 859069718 /nfs/dbraw/zinc/06/97/18/859069718.db2.gz UGFMDLNHYGWTME-HUUCEWRRSA-N 2 2 350.467 0.118 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001263997796 859274652 /nfs/dbraw/zinc/27/46/52/859274652.db2.gz FMDVTTPOAFVIFN-OWCLPIDISA-N 2 2 352.479 0.577 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC001267217731 859500698 /nfs/dbraw/zinc/50/06/98/859500698.db2.gz OBPBZRPQQNETAD-RRFJBIMHSA-N 2 2 368.503 0.396 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC001267217731 859500704 /nfs/dbraw/zinc/50/07/04/859500704.db2.gz OBPBZRPQQNETAD-RRFJBIMHSA-N 2 2 368.503 0.396 20 0 FCADLP C[C@H](C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1)n1cc[nH+]c1 ZINC001270292763 859707627 /nfs/dbraw/zinc/70/76/27/859707627.db2.gz WLSJCMWWGAMSMA-DAXOMENPSA-N 2 2 355.389 0.107 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCS(C)(=O)=O)CCCC1 ZINC001270790158 859845616 /nfs/dbraw/zinc/84/56/16/859845616.db2.gz BSWGJIILODUMRU-ZIAGYGMSSA-N 2 2 368.503 0.587 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(F)C1=O ZINC001271366779 859942195 /nfs/dbraw/zinc/94/21/95/859942195.db2.gz DHGRXMMDNCZRGL-HZPDHXFCSA-N 2 2 355.389 0.005 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(F)C1=O ZINC001271366779 859942199 /nfs/dbraw/zinc/94/21/99/859942199.db2.gz DHGRXMMDNCZRGL-HZPDHXFCSA-N 2 2 355.389 0.005 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868374 860286057 /nfs/dbraw/zinc/28/60/57/860286057.db2.gz RBJPMZNZHRLNHG-CVEARBPZSA-N 2 2 363.531 0.732 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868374 860286070 /nfs/dbraw/zinc/28/60/70/860286070.db2.gz RBJPMZNZHRLNHG-CVEARBPZSA-N 2 2 363.531 0.732 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001273215767 860411353 /nfs/dbraw/zinc/41/13/53/860411353.db2.gz BSSQVKJTJMXQJI-MRXNPFEDSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001273215767 860411360 /nfs/dbraw/zinc/41/13/60/860411360.db2.gz BSSQVKJTJMXQJI-MRXNPFEDSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001273215767 860411364 /nfs/dbraw/zinc/41/13/64/860411364.db2.gz BSSQVKJTJMXQJI-MRXNPFEDSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001273215767 860411371 /nfs/dbraw/zinc/41/13/71/860411371.db2.gz BSSQVKJTJMXQJI-MRXNPFEDSA-N 2 2 355.479 0.252 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C[N@H+](C)C1CCCC1)C2 ZINC001273339729 860460503 /nfs/dbraw/zinc/46/05/03/860460503.db2.gz VXTPZFCMMHPOCO-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C[N@@H+](C)C1CCCC1)C2 ZINC001273339729 860460511 /nfs/dbraw/zinc/46/05/11/860460511.db2.gz VXTPZFCMMHPOCO-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP NS(=O)(=O)CCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001273581251 860535546 /nfs/dbraw/zinc/53/55/46/860535546.db2.gz YVVOUQUYPRIZNP-CVEARBPZSA-N 2 2 369.491 0.113 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC001274459384 860756589 /nfs/dbraw/zinc/75/65/89/860756589.db2.gz RJQAVCNWLAXAMI-OAHLLOKOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C2 ZINC001274459384 860756595 /nfs/dbraw/zinc/75/65/95/860756595.db2.gz RJQAVCNWLAXAMI-OAHLLOKOSA-N 2 2 350.507 0.872 20 0 FCADLP COC(=O)CCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275129865 860938377 /nfs/dbraw/zinc/93/83/77/860938377.db2.gz ACOYPOHLNNQMNM-QGZVFWFLSA-N 2 2 350.419 0.140 20 0 FCADLP COC(=O)CCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275129865 860938384 /nfs/dbraw/zinc/93/83/84/860938384.db2.gz ACOYPOHLNNQMNM-QGZVFWFLSA-N 2 2 350.419 0.140 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176834 860979278 /nfs/dbraw/zinc/97/92/78/860979278.db2.gz LPYYOHSMBPWHHY-MJGOQNOKSA-N 2 2 351.539 0.108 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176834 860979282 /nfs/dbraw/zinc/97/92/82/860979282.db2.gz LPYYOHSMBPWHHY-MJGOQNOKSA-N 2 2 351.539 0.108 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cn1)C2 ZINC001275437865 861095028 /nfs/dbraw/zinc/09/50/28/861095028.db2.gz ZMSYNTDZIGXNHU-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cn1)C2 ZINC001275437865 861095044 /nfs/dbraw/zinc/09/50/44/861095044.db2.gz ZMSYNTDZIGXNHU-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275557080 861129483 /nfs/dbraw/zinc/12/94/83/861129483.db2.gz UQCTUVBKSHUKOE-DLBZAZTESA-N 2 2 358.433 0.039 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275557080 861129491 /nfs/dbraw/zinc/12/94/91/861129491.db2.gz UQCTUVBKSHUKOE-DLBZAZTESA-N 2 2 358.433 0.039 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275742403 861185432 /nfs/dbraw/zinc/18/54/32/861185432.db2.gz DFWSHUPVZNSKAQ-ZWKOTPCHSA-N 3 2 358.477 0.854 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275742403 861185445 /nfs/dbraw/zinc/18/54/45/861185445.db2.gz DFWSHUPVZNSKAQ-ZWKOTPCHSA-N 3 2 358.477 0.854 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23C[NH+](Cc2cccnn2)C3)CC1 ZINC001279854887 863100299 /nfs/dbraw/zinc/10/02/99/863100299.db2.gz WGKMWYUAHSJQIX-INIZCTEOSA-N 2 2 361.515 0.995 20 0 FCADLP COC(=O)[C@@H](C)C[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001280025682 863196340 /nfs/dbraw/zinc/19/63/40/863196340.db2.gz HOEQBCUWMWDDGA-DZGCQCFKSA-N 2 2 353.463 0.239 20 0 FCADLP COCCOC[N@@H+]1CCCC2(CC[NH+]([C@@H](COC)C(=O)OC)CC2)C1 ZINC001280052298 863221074 /nfs/dbraw/zinc/22/10/74/863221074.db2.gz IGIKULRFPALWDK-INIZCTEOSA-N 2 2 358.479 0.973 20 0 FCADLP COCCOC[N@H+]1CCCC2(CC[NH+]([C@@H](COC)C(=O)OC)CC2)C1 ZINC001280052298 863221086 /nfs/dbraw/zinc/22/10/86/863221086.db2.gz IGIKULRFPALWDK-INIZCTEOSA-N 2 2 358.479 0.973 20 0 FCADLP CC[NH+]1CCC(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NCCS(C)(=O)=O)CC1 ZINC001280257672 863364762 /nfs/dbraw/zinc/36/47/62/863364762.db2.gz WGDIEOPLGCRADV-WBVHZDCISA-N 2 2 357.520 0.344 20 0 FCADLP CC[NH+]1CCC(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NCCS(C)(=O)=O)CC1 ZINC001280257672 863364772 /nfs/dbraw/zinc/36/47/72/863364772.db2.gz WGDIEOPLGCRADV-WBVHZDCISA-N 2 2 357.520 0.344 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262373 863368812 /nfs/dbraw/zinc/36/88/12/863368812.db2.gz ZIPQXBBRZROALX-JKSUJKDBSA-N 2 2 371.547 0.591 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262373 863368820 /nfs/dbraw/zinc/36/88/20/863368820.db2.gz ZIPQXBBRZROALX-JKSUJKDBSA-N 2 2 371.547 0.591 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(CN2CCS(=O)CC2)cc1)C1CC1 ZINC001353363526 867406823 /nfs/dbraw/zinc/40/68/23/867406823.db2.gz GXDFNXYXFFCZMS-IBGZPJMESA-N 2 2 365.543 0.796 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(CN2CCS(=O)CC2)cc1)C1CC1 ZINC001353363526 867406833 /nfs/dbraw/zinc/40/68/33/867406833.db2.gz GXDFNXYXFFCZMS-IBGZPJMESA-N 2 2 365.543 0.796 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)s1 ZINC001321892325 868653694 /nfs/dbraw/zinc/65/36/94/868653694.db2.gz COTUJQCBTJJFGM-UHFFFAOYSA-N 2 2 359.477 0.402 20 0 FCADLP C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001321964932 868684061 /nfs/dbraw/zinc/68/40/61/868684061.db2.gz ZXWVRCYTRRHBSI-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC001322576223 868865988 /nfs/dbraw/zinc/86/59/88/868865988.db2.gz RPDJZNXTKOGEOQ-GASCZTMLSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC001325548802 869930683 /nfs/dbraw/zinc/93/06/83/869930683.db2.gz CLYUFKNZVKMMGK-CQSZACIVSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC001325548802 869930676 /nfs/dbraw/zinc/93/06/76/869930676.db2.gz CLYUFKNZVKMMGK-CQSZACIVSA-N 2 2 350.507 0.918 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001326094643 870165980 /nfs/dbraw/zinc/16/59/80/870165980.db2.gz MBIYAKHFWWLLGN-CAOSSQGBSA-N 2 2 373.519 0.041 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)C ZINC001327518661 870921441 /nfs/dbraw/zinc/92/14/41/870921441.db2.gz QZXXMZYROHHSPJ-YOEHRIQHSA-N 2 2 350.463 0.988 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)C ZINC001327518661 870921446 /nfs/dbraw/zinc/92/14/46/870921446.db2.gz QZXXMZYROHHSPJ-YOEHRIQHSA-N 2 2 350.463 0.988 20 0 FCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001346763158 871985750 /nfs/dbraw/zinc/98/57/50/871985750.db2.gz RMIRPYZVFMCLDU-INIZCTEOSA-N 2 2 354.495 0.809 20 0 FCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001346763158 871985776 /nfs/dbraw/zinc/98/57/76/871985776.db2.gz RMIRPYZVFMCLDU-INIZCTEOSA-N 2 2 354.495 0.809 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491449 872064885 /nfs/dbraw/zinc/06/48/85/872064885.db2.gz SFKUWFQJVOUWBO-GJZGRUSLSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491449 872064908 /nfs/dbraw/zinc/06/49/08/872064908.db2.gz SFKUWFQJVOUWBO-GJZGRUSLSA-N 2 2 357.520 0.486 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@]3(C)CCOC3=O)CC2)CC1 ZINC001346945213 872074710 /nfs/dbraw/zinc/07/47/10/872074710.db2.gz LHTMYAOCBFKIEI-SFHVURJKSA-N 2 2 352.479 0.894 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@]3(C)CCOC3=O)CC2)CC1 ZINC001346945213 872074733 /nfs/dbraw/zinc/07/47/33/872074733.db2.gz LHTMYAOCBFKIEI-SFHVURJKSA-N 2 2 352.479 0.894 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001347102571 872160141 /nfs/dbraw/zinc/16/01/41/872160141.db2.gz QENGMRBIGFAUJK-BRWVUGGUSA-N 2 2 353.511 0.127 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001348517254 872718307 /nfs/dbraw/zinc/71/83/07/872718307.db2.gz MEQLQUCUJZSALD-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C1(C)C ZINC001330647872 872747828 /nfs/dbraw/zinc/74/78/28/872747828.db2.gz IFANDIOFLVHKQG-QFBILLFUSA-N 2 2 352.523 0.757 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C(=O)NC1CC[NH2+]CC1 ZINC001331185851 872998270 /nfs/dbraw/zinc/99/82/70/872998270.db2.gz MQIHQOYTMRQMQL-UHFFFAOYSA-N 2 2 363.487 0.119 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001331504350 873127397 /nfs/dbraw/zinc/12/73/97/873127397.db2.gz QJVNQGUDFCGFNF-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC001331848330 873272529 /nfs/dbraw/zinc/27/25/29/873272529.db2.gz YKOPBSPINVNLJY-HZPDHXFCSA-N 2 2 362.455 0.517 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001332589054 873569954 /nfs/dbraw/zinc/56/99/54/873569954.db2.gz QGDGTONAEXTWAV-UHFFFAOYSA-N 2 2 352.420 0.252 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001333242346 873871729 /nfs/dbraw/zinc/87/17/29/873871729.db2.gz UPHOPTGFDFAISW-INIZCTEOSA-N 2 2 356.488 0.512 20 0 FCADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547398 946788242 /nfs/dbraw/zinc/78/82/42/946788242.db2.gz NWIVFZFKPVTWCP-YJBOKZPZSA-N 2 2 371.489 0.924 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574942072 949332196 /nfs/dbraw/zinc/33/21/96/949332196.db2.gz JWYZVVDTSDYOPV-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574942072 949332205 /nfs/dbraw/zinc/33/22/05/949332205.db2.gz JWYZVVDTSDYOPV-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574942280 949345443 /nfs/dbraw/zinc/34/54/43/949345443.db2.gz MZKNESMOVHZYRJ-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574942280 949345459 /nfs/dbraw/zinc/34/54/59/949345459.db2.gz MZKNESMOVHZYRJ-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574945776 949418776 /nfs/dbraw/zinc/41/87/76/949418776.db2.gz NXDDUSBBUZMRCO-LBPRGKRZSA-N 2 2 354.418 0.437 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574947917 949457753 /nfs/dbraw/zinc/45/77/53/949457753.db2.gz FTIWMPJBFFKSJV-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574947917 949457764 /nfs/dbraw/zinc/45/77/64/949457764.db2.gz FTIWMPJBFFKSJV-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574480275 949748472 /nfs/dbraw/zinc/74/84/72/949748472.db2.gz IEEIGRWCPBPQOT-CHWSQXEVSA-N 2 2 367.417 0.544 20 0 FCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286504 949984603 /nfs/dbraw/zinc/98/46/03/949984603.db2.gz XGAHHSDCNFVNEK-VXGBXAGGSA-N 2 2 355.406 0.276 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574729515 950023518 /nfs/dbraw/zinc/02/35/18/950023518.db2.gz OBXQJNHPGWGABO-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570963624 950093865 /nfs/dbraw/zinc/09/38/65/950093865.db2.gz ZKVRBOKAVHXJCP-GFCCVEGCSA-N 2 2 353.390 0.162 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907572 950337194 /nfs/dbraw/zinc/33/71/94/950337194.db2.gz PFLBDTARNNRSER-BLLLJJGKSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196912 950378191 /nfs/dbraw/zinc/37/81/91/950378191.db2.gz IXYFMGJZEJQAFJ-CQSZACIVSA-N 2 2 370.461 0.642 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196912 950378210 /nfs/dbraw/zinc/37/82/10/950378210.db2.gz IXYFMGJZEJQAFJ-CQSZACIVSA-N 2 2 370.461 0.642 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205205 950503951 /nfs/dbraw/zinc/50/39/51/950503951.db2.gz HCNLZXHSPPAQOK-UONOGXRCSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205205 950503970 /nfs/dbraw/zinc/50/39/70/950503970.db2.gz HCNLZXHSPPAQOK-UONOGXRCSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981137 950574243 /nfs/dbraw/zinc/57/42/43/950574243.db2.gz DKDRVFMXOVHUCJ-IUODEOHRSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981137 950574270 /nfs/dbraw/zinc/57/42/70/950574270.db2.gz DKDRVFMXOVHUCJ-IUODEOHRSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981195 950579166 /nfs/dbraw/zinc/57/91/66/950579166.db2.gz GCBCNQDRNDYRIG-TYNCELHUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981195 950579183 /nfs/dbraw/zinc/57/91/83/950579183.db2.gz GCBCNQDRNDYRIG-TYNCELHUSA-N 2 2 356.434 0.085 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)[NH+](C)C ZINC001570989140 950823254 /nfs/dbraw/zinc/82/32/54/950823254.db2.gz ZUSJRIJQONDDJQ-INIZCTEOSA-N 2 2 357.462 0.851 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001571038222 951641515 /nfs/dbraw/zinc/64/15/15/951641515.db2.gz REDGLFMQZTVVIF-AAEUAGOBSA-N 2 2 367.417 0.290 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575107182 951915759 /nfs/dbraw/zinc/91/57/59/951915759.db2.gz ARBLCORHKUPGOJ-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575109544 951931513 /nfs/dbraw/zinc/93/15/13/951931513.db2.gz SELBOTTUAKQKRG-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571077091 952117400 /nfs/dbraw/zinc/11/74/00/952117400.db2.gz YEPREVVMXAGVOP-STQMWFEESA-N 2 2 370.461 0.569 20 0 FCADLP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571077091 952117403 /nfs/dbraw/zinc/11/74/03/952117403.db2.gz YEPREVVMXAGVOP-STQMWFEESA-N 2 2 370.461 0.569 20 0 FCADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCOC1 ZINC001571103897 952361142 /nfs/dbraw/zinc/36/11/42/952361142.db2.gz VQKYBSMRZRFRQD-FUHWJXTLSA-N 2 2 372.473 0.818 20 0 FCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040294 214140675 /nfs/dbraw/zinc/14/06/75/214140675.db2.gz SGESTMUPWOAGCR-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040294 214140680 /nfs/dbraw/zinc/14/06/80/214140680.db2.gz SGESTMUPWOAGCR-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040294 214140683 /nfs/dbraw/zinc/14/06/83/214140683.db2.gz SGESTMUPWOAGCR-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040294 214140686 /nfs/dbraw/zinc/14/06/86/214140686.db2.gz SGESTMUPWOAGCR-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000293390231 214169786 /nfs/dbraw/zinc/16/97/86/214169786.db2.gz LTSLVNHOYBOWAF-CQSZACIVSA-N 2 2 372.473 0.581 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000293390231 214169789 /nfs/dbraw/zinc/16/97/89/214169789.db2.gz LTSLVNHOYBOWAF-CQSZACIVSA-N 2 2 372.473 0.581 20 0 FCADLP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000265968479 210257968 /nfs/dbraw/zinc/25/79/68/210257968.db2.gz ZWJIITJKSJNWCS-PXNSSMCTSA-N 2 2 374.529 0.937 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)cn2cc[nH+]c12 ZINC000294748453 214263986 /nfs/dbraw/zinc/26/39/86/214263986.db2.gz LVSRZXKRTOSFDZ-UHFFFAOYSA-N 2 2 355.402 0.697 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577133 214306017 /nfs/dbraw/zinc/30/60/17/214306017.db2.gz VKWGSAURZIWNCU-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577133 214306019 /nfs/dbraw/zinc/30/60/19/214306019.db2.gz VKWGSAURZIWNCU-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000295577133 214306023 /nfs/dbraw/zinc/30/60/23/214306023.db2.gz VKWGSAURZIWNCU-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000295577133 214306027 /nfs/dbraw/zinc/30/60/27/214306027.db2.gz VKWGSAURZIWNCU-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000410553423 529695927 /nfs/dbraw/zinc/69/59/27/529695927.db2.gz LSYGNWLYPBHCTI-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000410553423 529695928 /nfs/dbraw/zinc/69/59/28/529695928.db2.gz LSYGNWLYPBHCTI-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCn2cc(C(=O)OC)nn2)CC1 ZINC000291048942 214011052 /nfs/dbraw/zinc/01/10/52/214011052.db2.gz MQVXDDPGUCOETP-UHFFFAOYSA-N 2 2 353.423 0.072 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)C1 ZINC000410794526 529801219 /nfs/dbraw/zinc/80/12/19/529801219.db2.gz TZWBZWLOXIGXFW-VQIMIIECSA-N 2 2 358.442 0.616 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)C1 ZINC000410794526 529801220 /nfs/dbraw/zinc/80/12/20/529801220.db2.gz TZWBZWLOXIGXFW-VQIMIIECSA-N 2 2 358.442 0.616 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265647298 210188335 /nfs/dbraw/zinc/18/83/35/210188335.db2.gz MLIQPBOPXOUDKU-KBAYOESNSA-N 2 2 358.486 0.928 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000359865750 210191960 /nfs/dbraw/zinc/19/19/60/210191960.db2.gz HLAHIQMQHVYSCW-UHFFFAOYSA-N 2 2 356.492 0.404 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265647298 210188337 /nfs/dbraw/zinc/18/83/37/210188337.db2.gz MLIQPBOPXOUDKU-KBAYOESNSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCN(C)C1=O ZINC000265647298 210188338 /nfs/dbraw/zinc/18/83/38/210188338.db2.gz MLIQPBOPXOUDKU-KBAYOESNSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCN(C)C1=O ZINC000265647298 210188339 /nfs/dbraw/zinc/18/83/39/210188339.db2.gz MLIQPBOPXOUDKU-KBAYOESNSA-N 2 2 358.486 0.928 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000290681994 213982584 /nfs/dbraw/zinc/98/25/84/213982584.db2.gz VPNWCOPQIUIKIX-IAGOWNOFSA-N 2 2 371.485 0.721 20 0 FCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000168183405 529944323 /nfs/dbraw/zinc/94/43/23/529944323.db2.gz IDDQAUUNFLSQRP-AWEZNQCLSA-N 2 2 366.487 0.012 20 0 FCADLP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000930715784 674051063 /nfs/dbraw/zinc/05/10/63/674051063.db2.gz IEWCWBNDRJXUFI-SJORKVTESA-N 2 2 355.479 0.093 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[NH+]1CCOCC1 ZINC000288547093 213774353 /nfs/dbraw/zinc/77/43/53/213774353.db2.gz IPBJEHJIBWTKDR-UHFFFAOYSA-N 2 2 365.478 0.544 20 0 FCADLP CN(C(=O)c1ccccn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331501672 215005743 /nfs/dbraw/zinc/00/57/43/215005743.db2.gz KYKNPMNTCCYCCC-UHFFFAOYSA-N 2 2 359.474 0.392 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCn1cc[nH+]c1 ZINC000265341651 210100071 /nfs/dbraw/zinc/10/00/71/210100071.db2.gz BKCVVKWZYFFAHA-MRXNPFEDSA-N 2 2 357.462 0.788 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000331733783 215040955 /nfs/dbraw/zinc/04/09/55/215040955.db2.gz SXYXISIUHVTKNK-ZACQAIPSSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000331733783 215040956 /nfs/dbraw/zinc/04/09/56/215040956.db2.gz SXYXISIUHVTKNK-ZACQAIPSSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000265122328 210061052 /nfs/dbraw/zinc/06/10/52/210061052.db2.gz VXTSQXOMRYZJBC-ZIAGYGMSSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265051470 210046070 /nfs/dbraw/zinc/04/60/70/210046070.db2.gz CEMBKBXZQUQVBG-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP COc1ccccc1NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000331933115 215069718 /nfs/dbraw/zinc/06/97/18/215069718.db2.gz FBABLFXFFCYEHG-UHFFFAOYSA-N 2 2 363.458 0.793 20 0 FCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000332099944 215092959 /nfs/dbraw/zinc/09/29/59/215092959.db2.gz PPQWSNXJFRCLQX-NVXWUHKLSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000332099944 215092963 /nfs/dbraw/zinc/09/29/63/215092963.db2.gz PPQWSNXJFRCLQX-NVXWUHKLSA-N 2 2 363.506 0.546 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000332256307 215116991 /nfs/dbraw/zinc/11/69/91/215116991.db2.gz AECMPVYUDOHFIS-DOTOQJQBSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000332307374 215127100 /nfs/dbraw/zinc/12/71/00/215127100.db2.gz RQDYIFBMVIVHRN-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000332307374 215127102 /nfs/dbraw/zinc/12/71/02/215127102.db2.gz RQDYIFBMVIVHRN-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H]1C ZINC000332401052 215145770 /nfs/dbraw/zinc/14/57/70/215145770.db2.gz YEIVNFSEYQWKAJ-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H]1C ZINC000332401052 215145775 /nfs/dbraw/zinc/14/57/75/215145775.db2.gz YEIVNFSEYQWKAJ-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@H]1C ZINC000332401052 215145776 /nfs/dbraw/zinc/14/57/76/215145776.db2.gz YEIVNFSEYQWKAJ-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@H]1C ZINC000332401052 215145779 /nfs/dbraw/zinc/14/57/79/215145779.db2.gz YEIVNFSEYQWKAJ-ZACQAIPSSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000332502511 215163385 /nfs/dbraw/zinc/16/33/85/215163385.db2.gz ZSLKUWMJAWINGY-ZDUSSCGKSA-N 2 2 350.488 0.903 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)c1 ZINC000332524633 215167537 /nfs/dbraw/zinc/16/75/37/215167537.db2.gz MECHHMYXQJRCSE-IAGOWNOFSA-N 2 2 358.486 0.848 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000332533308 215171360 /nfs/dbraw/zinc/17/13/60/215171360.db2.gz HXYPTTRCVNUNNE-HIFRSBDPSA-N 2 2 360.462 0.162 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332541276 215173467 /nfs/dbraw/zinc/17/34/67/215173467.db2.gz KZDHEXYIIIXERF-GJZGRUSLSA-N 2 2 360.458 0.969 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000332539441 215173754 /nfs/dbraw/zinc/17/37/54/215173754.db2.gz JYQNBJLWMUBXDG-IRXDYDNUSA-N 2 2 358.486 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000332556503 215178325 /nfs/dbraw/zinc/17/83/25/215178325.db2.gz TYBGCSCHISCGPZ-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000332556503 215178329 /nfs/dbraw/zinc/17/83/29/215178329.db2.gz TYBGCSCHISCGPZ-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000332542572 215175230 /nfs/dbraw/zinc/17/52/30/215175230.db2.gz XXNVYTHOYMDUPB-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000332542572 215175233 /nfs/dbraw/zinc/17/52/33/215175233.db2.gz XXNVYTHOYMDUPB-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000332688777 215204980 /nfs/dbraw/zinc/20/49/80/215204980.db2.gz QKJCATXMFHFHRD-QBPKDAKJSA-N 2 2 366.506 0.284 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000332823221 215213189 /nfs/dbraw/zinc/21/31/89/215213189.db2.gz GNPJQBSAWGHDST-KURKYZTESA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000332823221 215213192 /nfs/dbraw/zinc/21/31/92/215213192.db2.gz GNPJQBSAWGHDST-KURKYZTESA-N 2 2 367.538 0.517 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@H+](C)CCN3CCCS3(=O)=O)CCC[NH+]2C)cn1 ZINC000332986871 215219912 /nfs/dbraw/zinc/21/99/12/215219912.db2.gz ADGBNRMSXRWLQG-DOTOQJQBSA-N 2 2 369.535 0.770 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCN3CCCS3(=O)=O)CCC[NH+]2C)cn1 ZINC000332986871 215219915 /nfs/dbraw/zinc/21/99/15/215219915.db2.gz ADGBNRMSXRWLQG-DOTOQJQBSA-N 2 2 369.535 0.770 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)CCN3CCCS3(=O)=O)CCC[N@H+]2C)cn1 ZINC000332986871 215219919 /nfs/dbraw/zinc/21/99/19/215219919.db2.gz ADGBNRMSXRWLQG-DOTOQJQBSA-N 2 2 369.535 0.770 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000332991052 215221770 /nfs/dbraw/zinc/22/17/70/215221770.db2.gz KUHJIPDFFPMCEY-BRWVUGGUSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000332991052 215221773 /nfs/dbraw/zinc/22/17/73/215221773.db2.gz KUHJIPDFFPMCEY-BRWVUGGUSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000332991050 215221850 /nfs/dbraw/zinc/22/18/50/215221850.db2.gz KUHJIPDFFPMCEY-BBWFWOEESA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000332991050 215221853 /nfs/dbraw/zinc/22/18/53/215221853.db2.gz KUHJIPDFFPMCEY-BBWFWOEESA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000333007074 215223193 /nfs/dbraw/zinc/22/31/93/215223193.db2.gz AHQAIBFPHZHQQJ-DLBZAZTESA-N 2 2 369.554 0.499 20 0 FCADLP C[C@H]1OCC[C@@]1(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333023675 215226353 /nfs/dbraw/zinc/22/63/53/215226353.db2.gz KCGKJHBZXKGQCA-RDTXWAMCSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000333172897 215245472 /nfs/dbraw/zinc/24/54/72/215245472.db2.gz QGOJJJCTJOZTEL-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000333172897 215245478 /nfs/dbraw/zinc/24/54/78/215245478.db2.gz QGOJJJCTJOZTEL-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333466852 215286313 /nfs/dbraw/zinc/28/63/13/215286313.db2.gz AIWNVBDUAYOMEE-VYMRPNJYSA-N 2 2 367.538 0.299 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333466852 215286315 /nfs/dbraw/zinc/28/63/15/215286315.db2.gz AIWNVBDUAYOMEE-VYMRPNJYSA-N 2 2 367.538 0.299 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000333503541 215290229 /nfs/dbraw/zinc/29/02/29/215290229.db2.gz DOSHQWSGTGDVQN-MHAAMQRSSA-N 2 2 354.495 0.648 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[NH+](C2CCC2)CC1 ZINC000333904567 215329204 /nfs/dbraw/zinc/32/92/04/215329204.db2.gz ULTFCSOUDFEBJK-UHFFFAOYSA-N 2 2 366.506 0.748 20 0 FCADLP C[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000333921527 215330803 /nfs/dbraw/zinc/33/08/03/215330803.db2.gz QRAKPUIAMRZHKW-HNNXBMFYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285768705 213393161 /nfs/dbraw/zinc/39/31/61/213393161.db2.gz DIBWFBRJOWYRAS-WBVHZDCISA-N 2 2 359.474 0.462 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285768705 213393165 /nfs/dbraw/zinc/39/31/65/213393165.db2.gz DIBWFBRJOWYRAS-WBVHZDCISA-N 2 2 359.474 0.462 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000334104741 215344169 /nfs/dbraw/zinc/34/41/69/215344169.db2.gz XPOALCFXHZYFBE-KURKYZTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135040 215347488 /nfs/dbraw/zinc/34/74/88/215347488.db2.gz XQJJJKFRQADUJR-JKSUJKDBSA-N 2 2 351.495 0.419 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135040 215347490 /nfs/dbraw/zinc/34/74/90/215347490.db2.gz XQJJJKFRQADUJR-JKSUJKDBSA-N 2 2 351.495 0.419 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000285573551 213362119 /nfs/dbraw/zinc/36/21/19/213362119.db2.gz JZNVGMHLLTZNNI-MRXNPFEDSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000285573551 213362123 /nfs/dbraw/zinc/36/21/23/213362123.db2.gz JZNVGMHLLTZNNI-MRXNPFEDSA-N 2 2 371.485 0.899 20 0 FCADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CCNC1=O ZINC000285491491 213349965 /nfs/dbraw/zinc/34/99/65/213349965.db2.gz PJRYXJGXTGXKPO-UHFFFAOYSA-N 2 2 359.474 0.288 20 0 FCADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CCNC1=O ZINC000285491491 213349967 /nfs/dbraw/zinc/34/99/67/213349967.db2.gz PJRYXJGXTGXKPO-UHFFFAOYSA-N 2 2 359.474 0.288 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000285376167 213333163 /nfs/dbraw/zinc/33/31/63/213333163.db2.gz XPBGYIWXHFIJRG-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@H+]1CCc2sccc2C1 ZINC000285376167 213333165 /nfs/dbraw/zinc/33/31/65/213333165.db2.gz XPBGYIWXHFIJRG-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000285376167 213333160 /nfs/dbraw/zinc/33/31/60/213333160.db2.gz XPBGYIWXHFIJRG-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000285376167 213333157 /nfs/dbraw/zinc/33/31/57/213333157.db2.gz XPBGYIWXHFIJRG-CYBMUJFWSA-N 2 2 364.515 0.821 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000285039815 213271367 /nfs/dbraw/zinc/27/13/67/213271367.db2.gz IBOOAMPXRQECSP-JKSUJKDBSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000285039815 213271370 /nfs/dbraw/zinc/27/13/70/213271370.db2.gz IBOOAMPXRQECSP-JKSUJKDBSA-N 2 2 359.474 0.943 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000284728696 213207105 /nfs/dbraw/zinc/20/71/05/213207105.db2.gz YWNNYRQFOMNSNL-INIZCTEOSA-N 2 2 350.438 0.709 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000284707916 213202562 /nfs/dbraw/zinc/20/25/62/213202562.db2.gz XFHVOEKVFDSIOD-INIZCTEOSA-N 2 2 361.421 0.866 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284482891 213150653 /nfs/dbraw/zinc/15/06/53/213150653.db2.gz HLZQUJDBYKMCKV-AWEZNQCLSA-N 2 2 361.490 0.953 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284497448 213153635 /nfs/dbraw/zinc/15/36/35/213153635.db2.gz INFIWUGLYUXELZ-UHFFFAOYSA-N 2 2 358.446 0.817 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)n1C ZINC000284454603 213143537 /nfs/dbraw/zinc/14/35/37/213143537.db2.gz QBMMZOAKLHQQDY-ZDUSSCGKSA-N 2 2 362.434 0.114 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000284446418 213141751 /nfs/dbraw/zinc/14/17/51/213141751.db2.gz ZSPMZEVFIUTACW-MRXNPFEDSA-N 2 2 363.462 0.021 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284348557 213118331 /nfs/dbraw/zinc/11/83/31/213118331.db2.gz BPJAMAWTWQOWEN-UHFFFAOYSA-N 2 2 361.471 0.544 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284348557 213118335 /nfs/dbraw/zinc/11/83/35/213118335.db2.gz BPJAMAWTWQOWEN-UHFFFAOYSA-N 2 2 361.471 0.544 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000284343783 213116561 /nfs/dbraw/zinc/11/65/61/213116561.db2.gz KJVGXVVVJAUJOM-HNNXBMFYSA-N 2 2 371.441 0.742 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000284285235 213103446 /nfs/dbraw/zinc/10/34/46/213103446.db2.gz NPZTVQUZCVVUTD-UKRRQHHQSA-N 2 2 368.503 0.304 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000284280014 213103240 /nfs/dbraw/zinc/10/32/40/213103240.db2.gz IEFFAIOHLGGJEP-UHFFFAOYSA-N 2 2 357.458 0.841 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000284168092 213090497 /nfs/dbraw/zinc/09/04/97/213090497.db2.gz SQRYFMADYBOFFB-MRXNPFEDSA-N 2 2 353.492 0.285 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000284156521 213086928 /nfs/dbraw/zinc/08/69/28/213086928.db2.gz YGRYJWFLBJLTAS-UHFFFAOYSA-N 2 2 369.469 0.823 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000284108689 213075276 /nfs/dbraw/zinc/07/52/76/213075276.db2.gz CGYBOCOIEHQPBZ-CVEARBPZSA-N 2 2 372.473 0.177 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000284108689 213075280 /nfs/dbraw/zinc/07/52/80/213075280.db2.gz CGYBOCOIEHQPBZ-CVEARBPZSA-N 2 2 372.473 0.177 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000284067545 213066628 /nfs/dbraw/zinc/06/66/28/213066628.db2.gz UNZCMFONUNDRMC-CQSZACIVSA-N 2 2 361.446 0.880 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000284055769 213064003 /nfs/dbraw/zinc/06/40/03/213064003.db2.gz QBQKNPSOZDDIJZ-OAHLLOKOSA-N 2 2 366.462 0.007 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000283974734 213047340 /nfs/dbraw/zinc/04/73/40/213047340.db2.gz PBCHZFXUJWQBTH-HNNXBMFYSA-N 2 2 363.462 0.149 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000283958942 213043239 /nfs/dbraw/zinc/04/32/39/213043239.db2.gz IJAPNFATOKLTJN-UHFFFAOYSA-N 2 2 351.451 0.131 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000283958942 213043243 /nfs/dbraw/zinc/04/32/43/213043243.db2.gz IJAPNFATOKLTJN-UHFFFAOYSA-N 2 2 351.451 0.131 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000283931652 213037050 /nfs/dbraw/zinc/03/70/50/213037050.db2.gz GSZUMZXGLFZHOE-OAHLLOKOSA-N 2 2 356.430 0.488 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCSC1 ZINC000283903497 213032819 /nfs/dbraw/zinc/03/28/19/213032819.db2.gz CXHYUJKSQXNERO-KRWDZBQOSA-N 2 2 361.471 0.504 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000283927540 213036378 /nfs/dbraw/zinc/03/63/78/213036378.db2.gz DUSKDNXIJNKGOA-UONOGXRCSA-N 2 2 368.503 0.304 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000283786699 213007863 /nfs/dbraw/zinc/00/78/63/213007863.db2.gz GEBCVAOEADIDCA-HOTGVXAUSA-N 2 2 365.478 0.347 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000283786699 213007867 /nfs/dbraw/zinc/00/78/67/213007867.db2.gz GEBCVAOEADIDCA-HOTGVXAUSA-N 2 2 365.478 0.347 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000283768359 213005858 /nfs/dbraw/zinc/00/58/58/213005858.db2.gz CMSXRGGBNPNOBR-AWEZNQCLSA-N 2 2 356.430 0.699 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000283759625 213004762 /nfs/dbraw/zinc/00/47/62/213004762.db2.gz BGVISKUAHIVPLU-HNNXBMFYSA-N 2 2 365.478 0.205 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000283764001 213004276 /nfs/dbraw/zinc/00/42/76/213004276.db2.gz BUCNBVPNJDALNO-XJKSGUPXSA-N 2 2 361.421 0.946 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000366710787 216019861 /nfs/dbraw/zinc/01/98/61/216019861.db2.gz PCDDGTWHZXEDPE-LSDHHAIUSA-N 2 2 366.487 0.638 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000366710787 216019863 /nfs/dbraw/zinc/01/98/63/216019863.db2.gz PCDDGTWHZXEDPE-LSDHHAIUSA-N 2 2 366.487 0.638 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC3(CC3)CC2)CC1 ZINC000366690062 216018267 /nfs/dbraw/zinc/01/82/67/216018267.db2.gz ULUNBLQXCJZGGX-UHFFFAOYSA-N 2 2 369.473 0.888 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000413365308 237319413 /nfs/dbraw/zinc/31/94/13/237319413.db2.gz CHLSOJKJAJIDFA-CABCVRRESA-N 2 2 354.495 0.600 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000413365308 237319422 /nfs/dbraw/zinc/31/94/22/237319422.db2.gz CHLSOJKJAJIDFA-CABCVRRESA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367200546 216090288 /nfs/dbraw/zinc/09/02/88/216090288.db2.gz JTHUROCQPYTYFJ-RCCFBDPRSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000367340009 216108840 /nfs/dbraw/zinc/10/88/40/216108840.db2.gz RZRPHZIFONWSCA-OAHLLOKOSA-N 2 2 363.510 0.395 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000367340009 216108843 /nfs/dbraw/zinc/10/88/43/216108843.db2.gz RZRPHZIFONWSCA-OAHLLOKOSA-N 2 2 363.510 0.395 20 0 FCADLP CC1(C)NC(=O)N(CCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000367296075 216103083 /nfs/dbraw/zinc/10/30/83/216103083.db2.gz NSBYRPCZZYZWAA-CQSZACIVSA-N 2 2 365.478 0.121 20 0 FCADLP CC1(C)NC(=O)N(CCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000367296075 216103087 /nfs/dbraw/zinc/10/30/87/216103087.db2.gz NSBYRPCZZYZWAA-CQSZACIVSA-N 2 2 365.478 0.121 20 0 FCADLP COCC1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC[NH2+]CC1 ZINC000262337752 209570330 /nfs/dbraw/zinc/57/03/30/209570330.db2.gz GJLFMIBHWNOMMV-OAHLLOKOSA-N 2 2 362.474 0.939 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@H](C)C1 ZINC000367591518 216141520 /nfs/dbraw/zinc/14/15/20/216141520.db2.gz ZWGSFUMLKONGGB-XMTFNYHQSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@H](C)C1 ZINC000367591518 216141523 /nfs/dbraw/zinc/14/15/23/216141523.db2.gz ZWGSFUMLKONGGB-XMTFNYHQSA-N 2 2 368.522 0.726 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNc3ccccc3C(N)=O)C2)CC1 ZINC000367690100 216150394 /nfs/dbraw/zinc/15/03/94/216150394.db2.gz XABVLUZMCVSBQJ-AWEZNQCLSA-N 2 2 359.474 0.482 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNc3ccccc3C(N)=O)C2)CC1 ZINC000367690100 216150397 /nfs/dbraw/zinc/15/03/97/216150397.db2.gz XABVLUZMCVSBQJ-AWEZNQCLSA-N 2 2 359.474 0.482 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000246537546 209391485 /nfs/dbraw/zinc/39/14/85/209391485.db2.gz XEURHWVUFLHQBQ-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000246537546 209391487 /nfs/dbraw/zinc/39/14/87/209391487.db2.gz XEURHWVUFLHQBQ-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000246518633 209390983 /nfs/dbraw/zinc/39/09/83/209390983.db2.gz RADIVOFVHLCPRJ-MOPGFXCFSA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000246518633 209390986 /nfs/dbraw/zinc/39/09/86/209390986.db2.gz RADIVOFVHLCPRJ-MOPGFXCFSA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000246518643 209390834 /nfs/dbraw/zinc/39/08/34/209390834.db2.gz RADIVOFVHLCPRJ-OALUTQOASA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000246518643 209390839 /nfs/dbraw/zinc/39/08/39/209390839.db2.gz RADIVOFVHLCPRJ-OALUTQOASA-N 2 2 360.502 0.940 20 0 FCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246318726 209383275 /nfs/dbraw/zinc/38/32/75/209383275.db2.gz MTNJUTVEOKHUKS-DLBZAZTESA-N 2 2 359.536 0.702 20 0 FCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246318726 209383277 /nfs/dbraw/zinc/38/32/77/209383277.db2.gz MTNJUTVEOKHUKS-DLBZAZTESA-N 2 2 359.536 0.702 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)c2cc1C ZINC000368213087 216217817 /nfs/dbraw/zinc/21/78/17/216217817.db2.gz SDUJNUDMSPJZEM-CABCVRRESA-N 2 2 366.487 0.767 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](S(N)(=O)=O)C3)c2cc1C ZINC000368213087 216217818 /nfs/dbraw/zinc/21/78/18/216217818.db2.gz SDUJNUDMSPJZEM-CABCVRRESA-N 2 2 366.487 0.767 20 0 FCADLP O=C(CCNC(=O)[C@H]1CC12CC[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000238032946 209363236 /nfs/dbraw/zinc/36/32/36/209363236.db2.gz BMWGWYOUXNTINP-MRXNPFEDSA-N 2 2 371.485 0.626 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000237443961 209352229 /nfs/dbraw/zinc/35/22/29/209352229.db2.gz KXMDCGLEWPAKBU-IRXDYDNUSA-N 2 2 374.485 0.697 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000237299863 209351669 /nfs/dbraw/zinc/35/16/69/209351669.db2.gz LXVKGZAMWPRFJV-AWEZNQCLSA-N 2 2 350.438 0.555 20 0 FCADLP O=C1CO[C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501466 216255621 /nfs/dbraw/zinc/25/56/21/216255621.db2.gz BCBMNMYAPUHIOX-IPMKNSEASA-N 2 2 359.470 0.867 20 0 FCADLP O=C1CO[C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501466 216255623 /nfs/dbraw/zinc/25/56/23/216255623.db2.gz BCBMNMYAPUHIOX-IPMKNSEASA-N 2 2 359.470 0.867 20 0 FCADLP O=C1CO[C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501466 216255625 /nfs/dbraw/zinc/25/56/25/216255625.db2.gz BCBMNMYAPUHIOX-IPMKNSEASA-N 2 2 359.470 0.867 20 0 FCADLP O=C1CO[C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2N1 ZINC000368501466 216255629 /nfs/dbraw/zinc/25/56/29/216255629.db2.gz BCBMNMYAPUHIOX-IPMKNSEASA-N 2 2 359.470 0.867 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000368679317 216279812 /nfs/dbraw/zinc/27/98/12/216279812.db2.gz AZCDBLLNQAMPMN-CALCHBBNSA-N 2 2 353.507 0.650 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192150801 209296988 /nfs/dbraw/zinc/29/69/88/209296988.db2.gz RTJQCRAYAFXOOB-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051713 216340809 /nfs/dbraw/zinc/34/08/09/216340809.db2.gz YNCYYYHXEKJCLV-ZWKOTPCHSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051713 216340814 /nfs/dbraw/zinc/34/08/14/216340814.db2.gz YNCYYYHXEKJCLV-ZWKOTPCHSA-N 2 2 359.474 0.772 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369092300 216346460 /nfs/dbraw/zinc/34/64/60/216346460.db2.gz BBXBBYSDMKDAKX-NXHRZFHOSA-N 2 2 374.485 0.911 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369092300 216346464 /nfs/dbraw/zinc/34/64/64/216346464.db2.gz BBXBBYSDMKDAKX-NXHRZFHOSA-N 2 2 374.485 0.911 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369092300 216346466 /nfs/dbraw/zinc/34/64/66/216346466.db2.gz BBXBBYSDMKDAKX-NXHRZFHOSA-N 2 2 374.485 0.911 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369092300 216346468 /nfs/dbraw/zinc/34/64/68/216346468.db2.gz BBXBBYSDMKDAKX-NXHRZFHOSA-N 2 2 374.485 0.911 20 0 FCADLP COc1ccc(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000369272466 216374637 /nfs/dbraw/zinc/37/46/37/216374637.db2.gz XKHIEOKDGWSIDA-UHFFFAOYSA-N 2 2 363.458 0.793 20 0 FCADLP CC(=O)Nc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000369274255 216375958 /nfs/dbraw/zinc/37/59/58/216375958.db2.gz NQDCRKGPBXPCSX-GFCCVEGCSA-N 2 2 351.476 1.000 20 0 FCADLP CC(=O)Nc1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000369274255 216375960 /nfs/dbraw/zinc/37/59/60/216375960.db2.gz NQDCRKGPBXPCSX-GFCCVEGCSA-N 2 2 351.476 1.000 20 0 FCADLP Cn1c2ccccc2n(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000369275427 216376959 /nfs/dbraw/zinc/37/69/59/216376959.db2.gz XNHSKYYUXWTLFO-OAHLLOKOSA-N 2 2 371.485 0.625 20 0 FCADLP Cn1c2ccccc2n(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000369275427 216376962 /nfs/dbraw/zinc/37/69/62/216376962.db2.gz XNHSKYYUXWTLFO-OAHLLOKOSA-N 2 2 371.485 0.625 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000190438996 209272761 /nfs/dbraw/zinc/27/27/61/209272761.db2.gz RFTIIOXAHZUVGP-AWEZNQCLSA-N 2 2 353.511 0.711 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000369371205 216391523 /nfs/dbraw/zinc/39/15/23/216391523.db2.gz UAJUICHVRDKVNG-INIZCTEOSA-N 2 2 373.505 0.477 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000369371205 216391528 /nfs/dbraw/zinc/39/15/28/216391528.db2.gz UAJUICHVRDKVNG-INIZCTEOSA-N 2 2 373.505 0.477 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392675 216393280 /nfs/dbraw/zinc/39/32/80/216393280.db2.gz IVNZAUIUMWOMFW-LSDHHAIUSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392675 216393282 /nfs/dbraw/zinc/39/32/82/216393282.db2.gz IVNZAUIUMWOMFW-LSDHHAIUSA-N 2 2 351.495 0.465 20 0 FCADLP CC(C)n1nccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188952332 209243646 /nfs/dbraw/zinc/24/36/46/209243646.db2.gz ABNRMFIWGNPHEE-UHFFFAOYSA-N 2 2 364.494 0.887 20 0 FCADLP CC(C)n1nccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188952332 209243649 /nfs/dbraw/zinc/24/36/49/209243649.db2.gz ABNRMFIWGNPHEE-UHFFFAOYSA-N 2 2 364.494 0.887 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c[nH+]2)CCO1 ZINC000188715318 209236890 /nfs/dbraw/zinc/23/68/90/209236890.db2.gz SVWBIQPGWFNJSH-LBPRGKRZSA-N 2 2 356.430 0.606 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](CCO)[C@H](C)C3)CC2)c1 ZINC000187719597 209217371 /nfs/dbraw/zinc/21/73/71/209217371.db2.gz ZKCQJQAFSXJTTG-LJQANCHMSA-N 2 2 374.529 0.638 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](CCO)[C@H](C)C3)CC2)c1 ZINC000187719597 209217376 /nfs/dbraw/zinc/21/73/76/209217376.db2.gz ZKCQJQAFSXJTTG-LJQANCHMSA-N 2 2 374.529 0.638 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC2)cc1 ZINC000186231574 209189472 /nfs/dbraw/zinc/18/94/72/209189472.db2.gz AUPZXKGWXMQEHR-UHFFFAOYSA-N 2 2 362.474 0.583 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433909 674114570 /nfs/dbraw/zinc/11/45/70/674114570.db2.gz JMPVCTRTJOJEAV-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433909 674114571 /nfs/dbraw/zinc/11/45/71/674114571.db2.gz JMPVCTRTJOJEAV-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433909 674114574 /nfs/dbraw/zinc/11/45/74/674114574.db2.gz JMPVCTRTJOJEAV-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433909 674114576 /nfs/dbraw/zinc/11/45/76/674114576.db2.gz JMPVCTRTJOJEAV-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000275721116 212079403 /nfs/dbraw/zinc/07/94/03/212079403.db2.gz UEWAMCDFAOIJBX-OAHLLOKOSA-N 2 2 362.474 0.254 20 0 FCADLP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707910 212076900 /nfs/dbraw/zinc/07/69/00/212076900.db2.gz NYOATOBVQAUOAV-ZIAGYGMSSA-N 2 2 364.519 0.529 20 0 FCADLP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707910 212076901 /nfs/dbraw/zinc/07/69/01/212076901.db2.gz NYOATOBVQAUOAV-ZIAGYGMSSA-N 2 2 364.519 0.529 20 0 FCADLP NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275655706 212067983 /nfs/dbraw/zinc/06/79/83/212067983.db2.gz UTWDDIXXZLNVAV-ZWKOTPCHSA-N 2 2 358.486 0.965 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000185601958 209179148 /nfs/dbraw/zinc/17/91/48/209179148.db2.gz KUVZGBPKNTUIQH-UHFFFAOYSA-N 2 2 373.457 0.820 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000185601958 209179152 /nfs/dbraw/zinc/17/91/52/209179152.db2.gz KUVZGBPKNTUIQH-UHFFFAOYSA-N 2 2 373.457 0.820 20 0 FCADLP CN1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc2C1=O ZINC000373326684 217008670 /nfs/dbraw/zinc/00/86/70/217008670.db2.gz DPXPRMQBDBYQDF-GOSISDBHSA-N 2 2 358.486 0.998 20 0 FCADLP [NH3+]C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000415242311 245367922 /nfs/dbraw/zinc/36/79/22/245367922.db2.gz UMHZZEUOICLGLA-MRXNPFEDSA-N 2 2 350.467 0.854 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000415323110 245385487 /nfs/dbraw/zinc/38/54/87/245385487.db2.gz SZMAAQZWMAQHJE-UHFFFAOYSA-N 2 2 373.501 0.585 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000415344496 245392347 /nfs/dbraw/zinc/39/23/47/245392347.db2.gz NQEOJOSLXJWNKJ-LSDHHAIUSA-N 2 2 360.458 0.839 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000375020110 217206458 /nfs/dbraw/zinc/20/64/58/217206458.db2.gz WTGKZBWIOKIVHC-IRXDYDNUSA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000375020110 217206462 /nfs/dbraw/zinc/20/64/62/217206462.db2.gz WTGKZBWIOKIVHC-IRXDYDNUSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1)N1CC[NH+](C)CC1 ZINC000182870698 209139199 /nfs/dbraw/zinc/13/91/99/209139199.db2.gz AIGXQWYQZHOTRY-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nn1 ZINC000375304471 217247334 /nfs/dbraw/zinc/24/73/34/217247334.db2.gz TUJOBCDKKXJUJY-HOCLYGCPSA-N 2 2 358.446 0.960 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nn1 ZINC000375304471 217247336 /nfs/dbraw/zinc/24/73/36/217247336.db2.gz TUJOBCDKKXJUJY-HOCLYGCPSA-N 2 2 358.446 0.960 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nn1 ZINC000375304469 217247407 /nfs/dbraw/zinc/24/74/07/217247407.db2.gz TUJOBCDKKXJUJY-GOEBONIOSA-N 2 2 358.446 0.960 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nn1 ZINC000375304469 217247408 /nfs/dbraw/zinc/24/74/08/217247408.db2.gz TUJOBCDKKXJUJY-GOEBONIOSA-N 2 2 358.446 0.960 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166378 209127394 /nfs/dbraw/zinc/12/73/94/209127394.db2.gz UBPNCKXELAGCIZ-HUUCEWRRSA-N 2 2 362.478 0.526 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166378 209127397 /nfs/dbraw/zinc/12/73/97/209127397.db2.gz UBPNCKXELAGCIZ-HUUCEWRRSA-N 2 2 362.478 0.526 20 0 FCADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502842 217275000 /nfs/dbraw/zinc/27/50/00/217275000.db2.gz XBZGAEHVVXZCQV-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502842 217275003 /nfs/dbraw/zinc/27/50/03/217275003.db2.gz XBZGAEHVVXZCQV-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502842 217275006 /nfs/dbraw/zinc/27/50/06/217275006.db2.gz XBZGAEHVVXZCQV-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502842 217275008 /nfs/dbraw/zinc/27/50/08/217275008.db2.gz XBZGAEHVVXZCQV-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000375742465 217305966 /nfs/dbraw/zinc/30/59/66/217305966.db2.gz HXGJXDDNSWALDT-XYPWUTKMSA-N 2 2 352.479 0.844 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000375742465 217305968 /nfs/dbraw/zinc/30/59/68/217305968.db2.gz HXGJXDDNSWALDT-XYPWUTKMSA-N 2 2 352.479 0.844 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000375742465 217305969 /nfs/dbraw/zinc/30/59/69/217305969.db2.gz HXGJXDDNSWALDT-XYPWUTKMSA-N 2 2 352.479 0.844 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000375742465 217305971 /nfs/dbraw/zinc/30/59/71/217305971.db2.gz HXGJXDDNSWALDT-XYPWUTKMSA-N 2 2 352.479 0.844 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889334 217331047 /nfs/dbraw/zinc/33/10/47/217331047.db2.gz JOQYAXVRNKVSCG-RBUKOAKNSA-N 3 2 365.566 0.639 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889334 217331050 /nfs/dbraw/zinc/33/10/50/217331050.db2.gz JOQYAXVRNKVSCG-RBUKOAKNSA-N 3 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889334 217331053 /nfs/dbraw/zinc/33/10/53/217331053.db2.gz JOQYAXVRNKVSCG-RBUKOAKNSA-N 2 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889334 217331056 /nfs/dbraw/zinc/33/10/56/217331056.db2.gz JOQYAXVRNKVSCG-RBUKOAKNSA-N 2 2 365.566 0.639 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892123 217332253 /nfs/dbraw/zinc/33/22/53/217332253.db2.gz TVUCWPMFWUEUSV-QGZVFWFLSA-N 2 2 367.538 0.071 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892123 217332256 /nfs/dbraw/zinc/33/22/56/217332256.db2.gz TVUCWPMFWUEUSV-QGZVFWFLSA-N 2 2 367.538 0.071 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376185631 217364839 /nfs/dbraw/zinc/36/48/39/217364839.db2.gz VSIQHYZEGBFZOC-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376185634 217367915 /nfs/dbraw/zinc/36/79/15/217367915.db2.gz VSIQHYZEGBFZOC-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418532460 245796717 /nfs/dbraw/zinc/79/67/17/245796717.db2.gz SXSCZMMNBUOAHO-AWEZNQCLSA-N 2 2 365.453 0.620 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611923 245804288 /nfs/dbraw/zinc/80/42/88/245804288.db2.gz IDEHBKROJSBNLU-ZDUSSCGKSA-N 2 2 362.400 0.751 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000419084573 245977606 /nfs/dbraw/zinc/97/76/06/245977606.db2.gz UFKZFQFCZJJZRP-OAHLLOKOSA-N 2 2 373.432 0.975 20 0 FCADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000181036186 209107925 /nfs/dbraw/zinc/10/79/25/209107925.db2.gz HWQXXKZGTBALDZ-KRWDZBQOSA-N 3 2 352.523 0.772 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419126314 246001250 /nfs/dbraw/zinc/00/12/50/246001250.db2.gz MNTZFXQPJVUYLW-KRWDZBQOSA-N 2 2 369.469 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000419128236 246002333 /nfs/dbraw/zinc/00/23/33/246002333.db2.gz VQRHUCHQRDPANB-HZPDHXFCSA-N 2 2 369.469 0.799 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000419160053 246024809 /nfs/dbraw/zinc/02/48/09/246024809.db2.gz YFXJMHDXROLWGS-UHFFFAOYSA-N 2 2 369.469 0.939 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]1 ZINC000419131579 246007347 /nfs/dbraw/zinc/00/73/47/246007347.db2.gz CUOFOXCYFXUFBH-OAHLLOKOSA-N 2 2 355.442 0.562 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC[NH2+]1 ZINC000419132820 246007769 /nfs/dbraw/zinc/00/77/69/246007769.db2.gz FDOGVWAUCACYKS-INIZCTEOSA-N 2 2 369.469 0.952 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000419212184 246057182 /nfs/dbraw/zinc/05/71/82/246057182.db2.gz ZJRSSPOKXQEIHT-HNNXBMFYSA-N 2 2 361.490 0.906 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c[nH+]2)CC1 ZINC000419208178 246054814 /nfs/dbraw/zinc/05/48/14/246054814.db2.gz QPDUIYGUEZULED-SJORKVTESA-N 2 2 371.485 0.754 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C[NH3+] ZINC000419273108 246083414 /nfs/dbraw/zinc/08/34/14/246083414.db2.gz HUOMNLYPNMEKGZ-MAUKXSAKSA-N 2 2 369.469 0.991 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000419303705 246091561 /nfs/dbraw/zinc/09/15/61/246091561.db2.gz IKHCTRWFIQAJNX-HNNXBMFYSA-N 2 2 359.474 0.899 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419398198 246134672 /nfs/dbraw/zinc/13/46/72/246134672.db2.gz YZPJYZQBVCZSAD-CABCVRRESA-N 2 2 368.865 0.245 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419398198 246134675 /nfs/dbraw/zinc/13/46/75/246134675.db2.gz YZPJYZQBVCZSAD-CABCVRRESA-N 2 2 368.865 0.245 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508032 246186341 /nfs/dbraw/zinc/18/63/41/246186341.db2.gz QFBLSBTYXYAHII-IAGOWNOFSA-N 2 2 373.501 0.134 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419711930 246262878 /nfs/dbraw/zinc/26/28/78/246262878.db2.gz OESZDBMQWDEXNF-CQSZACIVSA-N 2 2 364.877 0.764 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000419711930 246262883 /nfs/dbraw/zinc/26/28/83/246262883.db2.gz OESZDBMQWDEXNF-CQSZACIVSA-N 2 2 364.877 0.764 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1C ZINC000419714760 246266720 /nfs/dbraw/zinc/26/67/20/246266720.db2.gz YCVXEGVDKGRTMK-ZDUSSCGKSA-N 2 2 358.512 0.237 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419846716 246318009 /nfs/dbraw/zinc/31/80/09/246318009.db2.gz RZJKMWHLPVELQZ-ZFWWWQNUSA-N 2 2 350.488 0.822 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000419865667 246335545 /nfs/dbraw/zinc/33/55/45/246335545.db2.gz ASWRPPMTTDYYOK-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000419865667 246335551 /nfs/dbraw/zinc/33/55/51/246335551.db2.gz ASWRPPMTTDYYOK-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000419868733 246336885 /nfs/dbraw/zinc/33/68/85/246336885.db2.gz IYRHKYSJHGRQKJ-IRXDYDNUSA-N 2 2 374.485 0.596 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419910900 246363999 /nfs/dbraw/zinc/36/39/99/246363999.db2.gz RJXZRKCMPZSEMY-CQSZACIVSA-N 2 2 363.462 0.243 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887083 246351519 /nfs/dbraw/zinc/35/15/19/246351519.db2.gz QFWXQWYYERTCNR-CABCVRRESA-N 2 2 355.442 0.814 20 0 FCADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419890370 246354272 /nfs/dbraw/zinc/35/42/72/246354272.db2.gz SQNFPKMDEWKIHB-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419890370 246354277 /nfs/dbraw/zinc/35/42/77/246354277.db2.gz SQNFPKMDEWKIHB-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000419900811 246359276 /nfs/dbraw/zinc/35/92/76/246359276.db2.gz TWTQDUQHVXXYHS-ZDUSSCGKSA-N 2 2 352.866 0.881 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908148 246363838 /nfs/dbraw/zinc/36/38/38/246363838.db2.gz DIDQGWZZVDPJOC-IRXDYDNUSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908148 246363843 /nfs/dbraw/zinc/36/38/43/246363843.db2.gz DIDQGWZZVDPJOC-IRXDYDNUSA-N 2 2 358.486 0.835 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419965133 246390793 /nfs/dbraw/zinc/39/07/93/246390793.db2.gz JOAHLZLBAGQEJD-QGZVFWFLSA-N 2 2 368.522 0.579 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419972722 246395375 /nfs/dbraw/zinc/39/53/75/246395375.db2.gz ZPPYENFHNUNZQS-MRXNPFEDSA-N 2 2 354.495 0.191 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420142584 246492745 /nfs/dbraw/zinc/49/27/45/246492745.db2.gz USUFBIPOEVIDLU-AWEZNQCLSA-N 2 2 362.499 0.989 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000423389385 247019177 /nfs/dbraw/zinc/01/91/77/247019177.db2.gz UYDGJGJQYOEPBF-QGZVFWFLSA-N 2 2 360.458 0.909 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)nn1 ZINC000423300297 246999733 /nfs/dbraw/zinc/99/97/33/246999733.db2.gz DIDALAFRKVTZQP-UHFFFAOYSA-N 2 2 358.446 0.464 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423340914 247007044 /nfs/dbraw/zinc/00/70/44/247007044.db2.gz VZIOFPGJUSDNQC-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423439712 247027547 /nfs/dbraw/zinc/02/75/47/247027547.db2.gz WKMYZHFVDQBOPY-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)s1 ZINC000423607446 247072018 /nfs/dbraw/zinc/07/20/18/247072018.db2.gz MPYMDCDJHMGZAF-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423606864 247072131 /nfs/dbraw/zinc/07/21/31/247072131.db2.gz KKTIIAWZKITTDZ-UKRRQHHQSA-N 2 2 353.488 0.892 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000423701008 247115255 /nfs/dbraw/zinc/11/52/55/247115255.db2.gz VUUBTEKUDUWWJI-XHSDSOJGSA-N 2 2 361.490 0.930 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000423615715 247076305 /nfs/dbraw/zinc/07/63/05/247076305.db2.gz ZGBWDOPKYANCDP-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000423615715 247076310 /nfs/dbraw/zinc/07/63/10/247076310.db2.gz ZGBWDOPKYANCDP-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423626161 247081255 /nfs/dbraw/zinc/08/12/55/247081255.db2.gz GVBDYGKSSUBFGP-JKSUJKDBSA-N 2 2 374.485 0.548 20 0 FCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423667653 247103698 /nfs/dbraw/zinc/10/36/98/247103698.db2.gz KPRCFJWEHAMUGD-MRXNPFEDSA-N 2 2 360.458 0.159 20 0 FCADLP Cc1nc(N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)CC2)cc[nH+]1 ZINC000423777318 247141827 /nfs/dbraw/zinc/14/18/27/247141827.db2.gz FYRXXJVYEFKPTA-ZSZQSSIHSA-N 2 2 359.474 0.966 20 0 FCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000423774345 247142781 /nfs/dbraw/zinc/14/27/81/247142781.db2.gz NOAFNCZPJABHMJ-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000423774345 247142786 /nfs/dbraw/zinc/14/27/86/247142786.db2.gz NOAFNCZPJABHMJ-JKSUJKDBSA-N 2 2 374.489 0.350 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000423812304 247143324 /nfs/dbraw/zinc/14/33/24/247143324.db2.gz QVEKUFGRIRERMX-GOSISDBHSA-N 2 2 363.458 0.597 20 0 FCADLP CN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423954218 247154256 /nfs/dbraw/zinc/15/42/56/247154256.db2.gz REXCPKKRJODDNZ-INIZCTEOSA-N 2 2 359.474 0.706 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000423710768 247119236 /nfs/dbraw/zinc/11/92/36/247119236.db2.gz YHXVURNKOHUFEY-SQNIBIBYSA-N 2 2 351.491 0.985 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000423710768 247119240 /nfs/dbraw/zinc/11/92/40/247119240.db2.gz YHXVURNKOHUFEY-SQNIBIBYSA-N 2 2 351.491 0.985 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000423724464 247126748 /nfs/dbraw/zinc/12/67/48/247126748.db2.gz HGXASAPVUYCOGE-NEWSRXKRSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000423724464 247126751 /nfs/dbraw/zinc/12/67/51/247126751.db2.gz HGXASAPVUYCOGE-NEWSRXKRSA-N 2 2 372.513 0.958 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000423732188 247131152 /nfs/dbraw/zinc/13/11/52/247131152.db2.gz ZWICZADANIHBAN-LSDHHAIUSA-N 2 2 362.478 0.215 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2CCC)CC[N@@H+]1CCOC ZINC000423729475 247131518 /nfs/dbraw/zinc/13/15/18/247131518.db2.gz XERGXDPRKLFYHE-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2CCC)CC[N@H+]1CCOC ZINC000423729475 247131525 /nfs/dbraw/zinc/13/15/25/247131525.db2.gz XERGXDPRKLFYHE-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423742853 247134925 /nfs/dbraw/zinc/13/49/25/247134925.db2.gz LEANWBBCGHFGGZ-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423742853 247134928 /nfs/dbraw/zinc/13/49/28/247134928.db2.gz LEANWBBCGHFGGZ-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NC[C@H]3CC[NH2+]CC3(F)F)cn2c1 ZINC000424502648 247243752 /nfs/dbraw/zinc/24/37/52/247243752.db2.gz GZEVYRFQHVAEML-GFCCVEGCSA-N 2 2 365.384 0.620 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000424458288 247224373 /nfs/dbraw/zinc/22/43/73/247224373.db2.gz SXVXWRVWAGXGSJ-UHFFFAOYSA-N 2 2 362.474 0.961 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425323273 247323755 /nfs/dbraw/zinc/32/37/55/247323755.db2.gz IUBWQALGXJYTGH-OAHLLOKOSA-N 2 2 366.510 0.145 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430586259 247712216 /nfs/dbraw/zinc/71/22/16/247712216.db2.gz YIGBBSPPYZJBKL-OLZOCXBDSA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430586259 247712222 /nfs/dbraw/zinc/71/22/22/247712222.db2.gz YIGBBSPPYZJBKL-OLZOCXBDSA-N 2 2 354.476 0.640 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000435618328 248003288 /nfs/dbraw/zinc/00/32/88/248003288.db2.gz QCINARJGOBBJDN-CQSZACIVSA-N 2 2 368.503 0.963 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000435618328 248003291 /nfs/dbraw/zinc/00/32/91/248003291.db2.gz QCINARJGOBBJDN-CQSZACIVSA-N 2 2 368.503 0.963 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435610921 248003754 /nfs/dbraw/zinc/00/37/54/248003754.db2.gz NZAYMWQNWTWGBA-GFCCVEGCSA-N 2 2 370.475 0.355 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435610921 248003760 /nfs/dbraw/zinc/00/37/60/248003760.db2.gz NZAYMWQNWTWGBA-GFCCVEGCSA-N 2 2 370.475 0.355 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCNC(=O)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435566138 248000237 /nfs/dbraw/zinc/00/02/37/248000237.db2.gz VQUYCRVFESRTBL-LSDHHAIUSA-N 2 2 359.474 0.900 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C(=O)c1cnn(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567475 248002683 /nfs/dbraw/zinc/00/26/83/248002683.db2.gz LOCWMBAUVSHLHF-OAHLLOKOSA-N 2 2 370.457 0.990 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000436051451 248029273 /nfs/dbraw/zinc/02/92/73/248029273.db2.gz KJXYANKZTBYXSB-OAHLLOKOSA-N 2 2 368.503 0.284 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000436051451 248029276 /nfs/dbraw/zinc/02/92/76/248029276.db2.gz KJXYANKZTBYXSB-OAHLLOKOSA-N 2 2 368.503 0.284 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000436055211 248031179 /nfs/dbraw/zinc/03/11/79/248031179.db2.gz SQPNGNPEZXGERU-LBPRGKRZSA-N 2 2 365.503 0.890 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000436055211 248031183 /nfs/dbraw/zinc/03/11/83/248031183.db2.gz SQPNGNPEZXGERU-LBPRGKRZSA-N 2 2 365.503 0.890 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000436059775 248031263 /nfs/dbraw/zinc/03/12/63/248031263.db2.gz LLRZYAUAJHDHEM-NVXWUHKLSA-N 2 2 374.485 0.946 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000436059775 248031266 /nfs/dbraw/zinc/03/12/66/248031266.db2.gz LLRZYAUAJHDHEM-NVXWUHKLSA-N 2 2 374.485 0.946 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)c(C)[nH+]1 ZINC000439634616 248138288 /nfs/dbraw/zinc/13/82/88/248138288.db2.gz LCWHAHJHNLZMIK-UHFFFAOYSA-N 2 2 352.435 0.036 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000440262584 248164630 /nfs/dbraw/zinc/16/46/30/248164630.db2.gz CHAHQAWFUHMJLM-MRXNPFEDSA-N 2 2 374.485 0.662 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000440262584 248164632 /nfs/dbraw/zinc/16/46/32/248164632.db2.gz CHAHQAWFUHMJLM-MRXNPFEDSA-N 2 2 374.485 0.662 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441117279 248238864 /nfs/dbraw/zinc/23/88/64/248238864.db2.gz QQTDQETUBPHOPT-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213531 248243540 /nfs/dbraw/zinc/24/35/40/248243540.db2.gz WJXOIWZYVWYVOK-KFWWJZLASA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213531 248243543 /nfs/dbraw/zinc/24/35/43/248243543.db2.gz WJXOIWZYVWYVOK-KFWWJZLASA-N 2 2 354.495 0.201 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442773412 248297462 /nfs/dbraw/zinc/29/74/62/248297462.db2.gz CPORBJMOHSIDTJ-UONOGXRCSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442773412 248297464 /nfs/dbraw/zinc/29/74/64/248297464.db2.gz CPORBJMOHSIDTJ-UONOGXRCSA-N 2 2 352.504 0.882 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442822919 248298314 /nfs/dbraw/zinc/29/83/14/248298314.db2.gz YFOIZKZVKXZUNP-KXBFYZLASA-N 2 2 369.506 0.877 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)([NH+]2CCOCC2)C1 ZINC000444141573 248348547 /nfs/dbraw/zinc/34/85/47/248348547.db2.gz OJFKXHGCAFKTBH-DMKPSLHHSA-N 2 2 366.506 0.792 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)([NH+]2CCOCC2)C1 ZINC000444141573 248348549 /nfs/dbraw/zinc/34/85/49/248348549.db2.gz OJFKXHGCAFKTBH-DMKPSLHHSA-N 2 2 366.506 0.792 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000444168580 248349622 /nfs/dbraw/zinc/34/96/22/248349622.db2.gz PHYSVJDCWZQDTG-QAPCUYQASA-N 2 2 365.478 0.686 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1)c1ccccc1F ZINC000444179924 248349687 /nfs/dbraw/zinc/34/96/87/248349687.db2.gz GLKCTENSPUSTDE-OXQOHEQNSA-N 2 2 374.460 0.699 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067964 249850765 /nfs/dbraw/zinc/85/07/65/249850765.db2.gz YHDMFLUNGXAJIX-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000460067964 249850769 /nfs/dbraw/zinc/85/07/69/249850769.db2.gz YHDMFLUNGXAJIX-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000270707811 211252706 /nfs/dbraw/zinc/25/27/06/211252706.db2.gz KNVPGZIPLWXZIX-PKOBYXMFSA-N 2 2 373.497 0.960 20 0 FCADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCCn3cc[nH+]c3C)CC2)cn1C ZINC000270587090 211228272 /nfs/dbraw/zinc/22/82/72/211228272.db2.gz DNHFRJCSZFTHSB-UHFFFAOYSA-N 2 2 366.491 0.630 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000469983487 250016947 /nfs/dbraw/zinc/01/69/47/250016947.db2.gz PTKHNJLTOLEISZ-WBVHZDCISA-N 2 2 368.522 0.308 20 0 FCADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000470009274 250020695 /nfs/dbraw/zinc/02/06/95/250020695.db2.gz QCQTVHGGYOBCTP-UHFFFAOYSA-N 3 2 359.518 0.692 20 0 FCADLP [NH3+]CC(=O)NCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000470484023 250047537 /nfs/dbraw/zinc/04/75/37/250047537.db2.gz XHVKKZDLXDCSOL-UHFFFAOYSA-N 2 2 355.402 0.337 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470981159 250084493 /nfs/dbraw/zinc/08/44/93/250084493.db2.gz DUEXBLRDAUZHMG-ZBFHGGJFSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470981159 250084496 /nfs/dbraw/zinc/08/44/96/250084496.db2.gz DUEXBLRDAUZHMG-ZBFHGGJFSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470981159 250084499 /nfs/dbraw/zinc/08/44/99/250084499.db2.gz DUEXBLRDAUZHMG-ZBFHGGJFSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470981159 250084503 /nfs/dbraw/zinc/08/45/03/250084503.db2.gz DUEXBLRDAUZHMG-ZBFHGGJFSA-N 2 2 350.507 0.763 20 0 FCADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000471491919 250105093 /nfs/dbraw/zinc/10/50/93/250105093.db2.gz HMBBKQRUNCETSC-HOTGVXAUSA-N 2 2 354.474 0.974 20 0 FCADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000471491919 250105094 /nfs/dbraw/zinc/10/50/94/250105094.db2.gz HMBBKQRUNCETSC-HOTGVXAUSA-N 2 2 354.474 0.974 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH+](C)[C@@H]2CCSC2)cn1 ZINC000472668115 250171510 /nfs/dbraw/zinc/17/15/10/250171510.db2.gz FOEWGOCZDOHUHP-XHSDSOJGSA-N 2 2 369.510 0.886 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH+](C)[C@@H]2CCSC2)cn1 ZINC000472668115 250171513 /nfs/dbraw/zinc/17/15/13/250171513.db2.gz FOEWGOCZDOHUHP-XHSDSOJGSA-N 2 2 369.510 0.886 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cn1 ZINC000472668115 250171518 /nfs/dbraw/zinc/17/15/18/250171518.db2.gz FOEWGOCZDOHUHP-XHSDSOJGSA-N 2 2 369.510 0.886 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)cn1 ZINC000472668115 250171522 /nfs/dbraw/zinc/17/15/22/250171522.db2.gz FOEWGOCZDOHUHP-XHSDSOJGSA-N 2 2 369.510 0.886 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000472978543 250192150 /nfs/dbraw/zinc/19/21/50/250192150.db2.gz NXNOMILXLRWFSX-ROUUACIJSA-N 2 2 369.554 0.765 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817823 211088110 /nfs/dbraw/zinc/08/81/10/211088110.db2.gz BEAGTHXDVCUPFV-LSDHHAIUSA-N 2 2 360.462 0.299 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817823 211088115 /nfs/dbraw/zinc/08/81/15/211088115.db2.gz BEAGTHXDVCUPFV-LSDHHAIUSA-N 2 2 360.462 0.299 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000269820344 211088007 /nfs/dbraw/zinc/08/80/07/211088007.db2.gz GHNUYIPKISQEFG-QGZVFWFLSA-N 2 2 351.451 0.030 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651766 250244081 /nfs/dbraw/zinc/24/40/81/250244081.db2.gz XSUZUUIBXWZCQV-CABCVRRESA-N 2 2 361.446 0.541 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC000473651766 250244086 /nfs/dbraw/zinc/24/40/86/250244086.db2.gz XSUZUUIBXWZCQV-CABCVRRESA-N 2 2 361.446 0.541 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000480937543 250298102 /nfs/dbraw/zinc/29/81/02/250298102.db2.gz OJOGUPXTJKFAHM-BBWFWOEESA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000480937543 250298103 /nfs/dbraw/zinc/29/81/03/250298103.db2.gz OJOGUPXTJKFAHM-BBWFWOEESA-N 2 2 368.522 0.260 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000481200141 250322022 /nfs/dbraw/zinc/32/20/22/250322022.db2.gz OZCKBLXLPQMUJA-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000481200141 250322026 /nfs/dbraw/zinc/32/20/26/250322026.db2.gz OZCKBLXLPQMUJA-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260058 250327167 /nfs/dbraw/zinc/32/71/67/250327167.db2.gz QFTHMIAPDHTTTO-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260058 250327176 /nfs/dbraw/zinc/32/71/76/250327176.db2.gz QFTHMIAPDHTTTO-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000481260058 250327180 /nfs/dbraw/zinc/32/71/80/250327180.db2.gz QFTHMIAPDHTTTO-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000481260058 250327187 /nfs/dbraw/zinc/32/71/87/250327187.db2.gz QFTHMIAPDHTTTO-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481635567 250347490 /nfs/dbraw/zinc/34/74/90/250347490.db2.gz UQRZDDMXURPIMI-BPUTZDHNSA-N 2 2 353.511 0.839 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481635567 250347495 /nfs/dbraw/zinc/34/74/95/250347495.db2.gz UQRZDDMXURPIMI-BPUTZDHNSA-N 2 2 353.511 0.839 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)nn1 ZINC000269626250 211025463 /nfs/dbraw/zinc/02/54/63/211025463.db2.gz JPHKVMPJBGOXRY-LBPRGKRZSA-N 2 2 352.464 0.103 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000500296552 250800189 /nfs/dbraw/zinc/80/01/89/250800189.db2.gz KSNUQYVKHHRGBO-MRXNPFEDSA-N 2 2 373.457 0.520 20 0 FCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858494 208043830 /nfs/dbraw/zinc/04/38/30/208043830.db2.gz JDTGPTRRSVFXOS-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858494 208043837 /nfs/dbraw/zinc/04/38/37/208043837.db2.gz JDTGPTRRSVFXOS-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858494 208043844 /nfs/dbraw/zinc/04/38/44/208043844.db2.gz JDTGPTRRSVFXOS-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858494 208043850 /nfs/dbraw/zinc/04/38/50/208043850.db2.gz JDTGPTRRSVFXOS-MRXNPFEDSA-N 2 2 362.474 0.441 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000077931181 208077516 /nfs/dbraw/zinc/07/75/16/208077516.db2.gz JJSFXSVVYGANMB-UHFFFAOYSA-N 2 2 356.536 0.979 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079312101 208088870 /nfs/dbraw/zinc/08/88/70/208088870.db2.gz CESZUWAYJPKNPY-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000083702322 208109204 /nfs/dbraw/zinc/10/92/04/208109204.db2.gz NATWDIOTQBIVBU-SFHVURJKSA-N 2 2 364.490 0.583 20 0 FCADLP CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092707093 208147966 /nfs/dbraw/zinc/14/79/66/208147966.db2.gz NQRHXMJOGCMSHB-KRWDZBQOSA-N 2 2 360.506 0.965 20 0 FCADLP CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000092707093 208147972 /nfs/dbraw/zinc/14/79/72/208147972.db2.gz NQRHXMJOGCMSHB-KRWDZBQOSA-N 2 2 360.506 0.965 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ncnc4sccc43)CC2)CC1 ZINC000093191525 208153727 /nfs/dbraw/zinc/15/37/27/208153727.db2.gz AKQJMFBNLUUFJT-UHFFFAOYSA-N 2 2 360.487 0.587 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093664868 208156888 /nfs/dbraw/zinc/15/68/88/208156888.db2.gz KUNSPQGCLADQMD-QGZVFWFLSA-N 2 2 360.506 0.383 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093664868 208156894 /nfs/dbraw/zinc/15/68/94/208156894.db2.gz KUNSPQGCLADQMD-QGZVFWFLSA-N 2 2 360.506 0.383 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[C@H](C[NH+]4CCOCC4)C3)cn2)CC1 ZINC000093664868 208156897 /nfs/dbraw/zinc/15/68/97/208156897.db2.gz KUNSPQGCLADQMD-QGZVFWFLSA-N 2 2 360.506 0.383 20 0 FCADLP CN(C(=O)C1CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041462 208207810 /nfs/dbraw/zinc/20/78/10/208207810.db2.gz VSMNWSXNCXYBQQ-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000105162866 208193348 /nfs/dbraw/zinc/19/33/48/208193348.db2.gz GZOQUEDXMAJYBO-INIZCTEOSA-N 2 2 361.494 0.334 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105740012 208204703 /nfs/dbraw/zinc/20/47/03/208204703.db2.gz NQEOODXZFIZQDQ-HUUCEWRRSA-N 2 2 362.474 0.912 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000111266406 208277716 /nfs/dbraw/zinc/27/77/16/208277716.db2.gz PQKRWIMWDFGQQF-KRWDZBQOSA-N 2 2 374.485 0.915 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000111266406 208277722 /nfs/dbraw/zinc/27/77/22/208277722.db2.gz PQKRWIMWDFGQQF-KRWDZBQOSA-N 2 2 374.485 0.915 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477709 208312923 /nfs/dbraw/zinc/31/29/23/208312923.db2.gz BWNUXHZZAQBXQK-JKSUJKDBSA-N 2 2 362.474 0.836 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477709 208312928 /nfs/dbraw/zinc/31/29/28/208312928.db2.gz BWNUXHZZAQBXQK-JKSUJKDBSA-N 2 2 362.474 0.836 20 0 FCADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000118108769 208349578 /nfs/dbraw/zinc/34/95/78/208349578.db2.gz DFOLAQSEVVHUPY-UHFFFAOYSA-N 2 2 361.490 0.440 20 0 FCADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000118108769 208349581 /nfs/dbraw/zinc/34/95/81/208349581.db2.gz DFOLAQSEVVHUPY-UHFFFAOYSA-N 2 2 361.490 0.440 20 0 FCADLP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC[NH+](CCO)CC1 ZINC000120218921 208377358 /nfs/dbraw/zinc/37/73/58/208377358.db2.gz VPUXUWDYUVFQHG-UHFFFAOYSA-N 2 2 362.474 0.703 20 0 FCADLP CS[C@H](CO)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000119871576 208370499 /nfs/dbraw/zinc/37/04/99/208370499.db2.gz XWZXDJHRLRMANV-CZUORRHYSA-N 2 2 358.552 0.957 20 0 FCADLP CN(CC[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000120248067 208376223 /nfs/dbraw/zinc/37/62/23/208376223.db2.gz OOBACJFLBRHMDX-SFHVURJKSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000120248067 208376229 /nfs/dbraw/zinc/37/62/29/208376229.db2.gz OOBACJFLBRHMDX-SFHVURJKSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120248067 208376237 /nfs/dbraw/zinc/37/62/37/208376237.db2.gz OOBACJFLBRHMDX-SFHVURJKSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120248067 208376243 /nfs/dbraw/zinc/37/62/43/208376243.db2.gz OOBACJFLBRHMDX-SFHVURJKSA-N 2 2 362.522 0.873 20 0 FCADLP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000121227944 208398274 /nfs/dbraw/zinc/39/82/74/208398274.db2.gz UXEKCGMGFCWOJR-GDBMZVCRSA-N 2 2 353.488 0.890 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748254 210395801 /nfs/dbraw/zinc/39/58/01/210395801.db2.gz BOEUGRLESNGRSP-HOCLYGCPSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266748254 210395805 /nfs/dbraw/zinc/39/58/05/210395805.db2.gz BOEUGRLESNGRSP-HOCLYGCPSA-N 2 2 354.520 0.833 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000177149955 209018515 /nfs/dbraw/zinc/01/85/15/209018515.db2.gz FDLMORSXCAJUNH-UHFFFAOYSA-N 2 2 357.462 0.482 20 0 FCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000178819204 209061659 /nfs/dbraw/zinc/06/16/59/209061659.db2.gz ULJXFOYIBORZSZ-SJORKVTESA-N 2 2 360.458 0.126 20 0 FCADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178784222 209061748 /nfs/dbraw/zinc/06/17/48/209061748.db2.gz JLECIOJLMISYCC-ZWKOTPCHSA-N 2 2 360.527 0.893 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c2ccccc2)CC1 ZINC000178732531 209059499 /nfs/dbraw/zinc/05/94/99/209059499.db2.gz DHHGQPKDJWGSBI-MOPGFXCFSA-N 2 2 357.502 0.091 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(NC(=O)C4CC4)CC3)cn2)CC1 ZINC000179914570 209088337 /nfs/dbraw/zinc/08/83/37/209088337.db2.gz PRWFCSKBBCRXHX-UHFFFAOYSA-N 2 2 358.490 0.719 20 0 FCADLP COC(=O)[C@]1(C)CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000412109675 533585587 /nfs/dbraw/zinc/58/55/87/533585587.db2.gz ULNLWGOFDNYYJE-GOSISDBHSA-N 2 2 355.479 0.489 20 0 FCADLP COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000412109675 533585590 /nfs/dbraw/zinc/58/55/90/533585590.db2.gz ULNLWGOFDNYYJE-GOSISDBHSA-N 2 2 355.479 0.489 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000179291714 209074978 /nfs/dbraw/zinc/07/49/78/209074978.db2.gz HCSAFZPLIWDZIH-IRXDYDNUSA-N 2 2 354.495 0.602 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C(C)(C)C)n1 ZINC000179427263 209080502 /nfs/dbraw/zinc/08/05/02/209080502.db2.gz DVMUDICPIDUEFH-MRXNPFEDSA-N 2 2 363.506 0.740 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000127543498 229177750 /nfs/dbraw/zinc/17/77/50/229177750.db2.gz IMFGYLCXJBUKPN-HOTGVXAUSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C[N@H+]1C1CC1 ZINC000127543498 229177754 /nfs/dbraw/zinc/17/77/54/229177754.db2.gz IMFGYLCXJBUKPN-HOTGVXAUSA-N 2 2 363.506 0.561 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000163342077 229202798 /nfs/dbraw/zinc/20/27/98/229202798.db2.gz SDKMOVGPBDXSCH-LBPRGKRZSA-N 2 2 371.445 0.149 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000163342077 229202802 /nfs/dbraw/zinc/20/28/02/229202802.db2.gz SDKMOVGPBDXSCH-LBPRGKRZSA-N 2 2 371.445 0.149 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H]1CC ZINC000410478074 230094885 /nfs/dbraw/zinc/09/48/85/230094885.db2.gz XUKXQAFMRAKSEZ-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H]1CC ZINC000410478074 230094888 /nfs/dbraw/zinc/09/48/88/230094888.db2.gz XUKXQAFMRAKSEZ-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H]1CC ZINC000410478074 230094892 /nfs/dbraw/zinc/09/48/92/230094892.db2.gz XUKXQAFMRAKSEZ-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H]1CC ZINC000410478074 230094898 /nfs/dbraw/zinc/09/48/98/230094898.db2.gz XUKXQAFMRAKSEZ-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410570421 230137770 /nfs/dbraw/zinc/13/77/70/230137770.db2.gz IILJKYRYNCTDGJ-MRXNPFEDSA-N 2 2 373.501 0.898 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592832 230145967 /nfs/dbraw/zinc/14/59/67/230145967.db2.gz ZYWBPHJJBCPIEL-GDBMZVCRSA-N 2 2 359.474 0.873 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592832 230145969 /nfs/dbraw/zinc/14/59/69/230145969.db2.gz ZYWBPHJJBCPIEL-GDBMZVCRSA-N 2 2 359.474 0.873 20 0 FCADLP NS(=O)(=O)C[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000932946920 674230064 /nfs/dbraw/zinc/23/00/64/674230064.db2.gz KKVMMPHMQFTEMY-KRWDZBQOSA-N 2 2 366.531 0.809 20 0 FCADLP NS(=O)(=O)C[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000932946920 674230068 /nfs/dbraw/zinc/23/00/68/674230068.db2.gz KKVMMPHMQFTEMY-KRWDZBQOSA-N 2 2 366.531 0.809 20 0 FCADLP CN(C)C(=O)Cn1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000531137735 484061741 /nfs/dbraw/zinc/06/17/41/484061741.db2.gz RRPMTUQDBFIPSH-UHFFFAOYSA-N 2 2 365.482 0.119 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C2)CC1 ZINC000301165923 488877458 /nfs/dbraw/zinc/87/74/58/488877458.db2.gz CCERXWXOODJGHM-MSOLQXFVSA-N 2 2 374.533 0.902 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CC[C@@H](C[NH+]4CCOCC4)C3)nc[nH+]2)C1 ZINC000301475785 488880897 /nfs/dbraw/zinc/88/08/97/488880897.db2.gz WHKITBUIHPUFGE-IRXDYDNUSA-N 2 2 361.490 0.844 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)CC1 ZINC000278704362 488890957 /nfs/dbraw/zinc/89/09/57/488890957.db2.gz TXVFLBHJHXPSDO-UHFFFAOYSA-N 2 2 354.458 0.925 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3c(nnc3-c3ccccc3)C2)CC1 ZINC000278704362 488890959 /nfs/dbraw/zinc/89/09/59/488890959.db2.gz TXVFLBHJHXPSDO-UHFFFAOYSA-N 2 2 354.458 0.925 20 0 FCADLP O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000278720556 488892023 /nfs/dbraw/zinc/89/20/23/488892023.db2.gz KQTQWTRURAMKCI-BGYRXZFFSA-N 2 2 369.465 0.521 20 0 FCADLP O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000278720556 488892026 /nfs/dbraw/zinc/89/20/26/488892026.db2.gz KQTQWTRURAMKCI-BGYRXZFFSA-N 2 2 369.465 0.521 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000287673116 488893880 /nfs/dbraw/zinc/89/38/80/488893880.db2.gz BTYZLOWHVZZIBW-ATNYBXOESA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000287673116 488893883 /nfs/dbraw/zinc/89/38/83/488893883.db2.gz BTYZLOWHVZZIBW-ATNYBXOESA-N 2 2 374.489 0.866 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000363897537 488898045 /nfs/dbraw/zinc/89/80/45/488898045.db2.gz HCJBJSCIGNNDJI-ZDUSSCGKSA-N 2 2 361.446 0.319 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000363897537 488898048 /nfs/dbraw/zinc/89/80/48/488898048.db2.gz HCJBJSCIGNNDJI-ZDUSSCGKSA-N 2 2 361.446 0.319 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000278922294 488904907 /nfs/dbraw/zinc/90/49/07/488904907.db2.gz DGKBLFROHPSFSH-CYBMUJFWSA-N 2 2 359.434 0.268 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278952993 488907413 /nfs/dbraw/zinc/90/74/13/488907413.db2.gz HKNZDQQRGPBAKP-AWEZNQCLSA-N 2 2 356.430 0.648 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000287937764 488923458 /nfs/dbraw/zinc/92/34/58/488923458.db2.gz SBDCOFAYQRENNQ-ZXFNITATSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000287937764 488923462 /nfs/dbraw/zinc/92/34/62/488923462.db2.gz SBDCOFAYQRENNQ-ZXFNITATSA-N 2 2 374.489 0.866 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364207862 488934958 /nfs/dbraw/zinc/93/49/58/488934958.db2.gz PDCSQHCPCUVHAL-OLZOCXBDSA-N 2 2 352.508 0.580 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364207862 488934960 /nfs/dbraw/zinc/93/49/60/488934960.db2.gz PDCSQHCPCUVHAL-OLZOCXBDSA-N 2 2 352.508 0.580 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3-n3cnnn3)C2)CC1 ZINC000364206978 488935417 /nfs/dbraw/zinc/93/54/17/488935417.db2.gz MNXCGASTWJEMKH-CQSZACIVSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3-n3cnnn3)C2)CC1 ZINC000364206978 488935418 /nfs/dbraw/zinc/93/54/18/488935418.db2.gz MNXCGASTWJEMKH-CQSZACIVSA-N 2 2 355.446 0.561 20 0 FCADLP CN(C(=O)NCCNC(=O)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364283967 488943756 /nfs/dbraw/zinc/94/37/56/488943756.db2.gz UCKBYIJNDBYWEO-INIZCTEOSA-N 2 2 351.495 0.323 20 0 FCADLP CN(C(=O)NCCNC(=O)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364283967 488943759 /nfs/dbraw/zinc/94/37/59/488943759.db2.gz UCKBYIJNDBYWEO-INIZCTEOSA-N 2 2 351.495 0.323 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328838399 488941938 /nfs/dbraw/zinc/94/19/38/488941938.db2.gz NIUKOVPWMKGCPJ-HNNXBMFYSA-N 2 2 371.489 0.356 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902905 488948715 /nfs/dbraw/zinc/94/87/15/488948715.db2.gz HEGUFZGHWIKFSF-MSOLQXFVSA-N 2 2 373.563 0.538 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)C1 ZINC000328902905 488948717 /nfs/dbraw/zinc/94/87/17/488948717.db2.gz HEGUFZGHWIKFSF-MSOLQXFVSA-N 2 2 373.563 0.538 20 0 FCADLP C[N@@H+]1CCc2ncnc(NCC[NH+]3CCN(C(=O)C4CCC4)CC3)c2C1 ZINC000328913172 488950128 /nfs/dbraw/zinc/95/01/28/488950128.db2.gz HXLGTWQAUHWHSC-UHFFFAOYSA-N 2 2 358.490 0.821 20 0 FCADLP C[N@H+]1CCc2ncnc(NCC[NH+]3CCN(C(=O)C4CCC4)CC3)c2C1 ZINC000328913172 488950132 /nfs/dbraw/zinc/95/01/32/488950132.db2.gz HXLGTWQAUHWHSC-UHFFFAOYSA-N 2 2 358.490 0.821 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364374319 488952693 /nfs/dbraw/zinc/95/26/93/488952693.db2.gz JLKOAOFZRDQMIV-ROUUACIJSA-N 2 2 362.474 0.198 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364374319 488952696 /nfs/dbraw/zinc/95/26/96/488952696.db2.gz JLKOAOFZRDQMIV-ROUUACIJSA-N 2 2 362.474 0.198 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000328996776 488958826 /nfs/dbraw/zinc/95/88/26/488958826.db2.gz GQORNOGHVWZQCB-CQSZACIVSA-N 2 2 350.463 0.904 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000030985188 487752383 /nfs/dbraw/zinc/75/23/83/487752383.db2.gz TVRXZXZUZGSENX-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP CC(C)[N@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000031345798 487758864 /nfs/dbraw/zinc/75/88/64/487758864.db2.gz TWXNNWGZTJUHPJ-UHFFFAOYSA-N 2 2 354.495 0.333 20 0 FCADLP CC(C)[N@@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000031345798 487758871 /nfs/dbraw/zinc/75/88/71/487758871.db2.gz TWXNNWGZTJUHPJ-UHFFFAOYSA-N 2 2 354.495 0.333 20 0 FCADLP CCN(CC)C(=O)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044857864 487924370 /nfs/dbraw/zinc/92/43/70/487924370.db2.gz CAEIXNBQTOOLNZ-UHFFFAOYSA-N 2 2 361.490 0.921 20 0 FCADLP CCN(CC)C(=O)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044857864 487924372 /nfs/dbraw/zinc/92/43/72/487924372.db2.gz CAEIXNBQTOOLNZ-UHFFFAOYSA-N 2 2 361.490 0.921 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000045121217 487931345 /nfs/dbraw/zinc/93/13/45/487931345.db2.gz SISVRTUFDBGBMV-UHFFFAOYSA-N 2 2 372.477 0.681 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000047027565 488008484 /nfs/dbraw/zinc/00/84/84/488008484.db2.gz HJYNLITUXAPHHC-ZDUSSCGKSA-N 2 2 369.433 0.480 20 0 FCADLP NC(=O)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000047274311 488021389 /nfs/dbraw/zinc/02/13/89/488021389.db2.gz AKYDPBVPTKZHFL-UHFFFAOYSA-N 2 2 359.474 0.850 20 0 FCADLP NC(=O)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000047274311 488021396 /nfs/dbraw/zinc/02/13/96/488021396.db2.gz AKYDPBVPTKZHFL-UHFFFAOYSA-N 2 2 359.474 0.850 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048783886 488083198 /nfs/dbraw/zinc/08/31/98/488083198.db2.gz VLIKRHRSTIHPJK-UHFFFAOYSA-N 2 2 350.444 0.916 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4ccccn4c3=O)CC2)CC1 ZINC000050798746 488113790 /nfs/dbraw/zinc/11/37/90/488113790.db2.gz KPJZZBXHHKLOEU-UHFFFAOYSA-N 2 2 369.469 0.983 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3nc4ccccn4c3=O)CC2)CC1 ZINC000050799309 488114765 /nfs/dbraw/zinc/11/47/65/488114765.db2.gz CSMPSZQCMBEDQX-UHFFFAOYSA-N 2 2 372.473 0.171 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(OCC(N)=O)cc3)CC2)CC1 ZINC000050800804 488115881 /nfs/dbraw/zinc/11/58/81/488115881.db2.gz YGGAARLLGZEFHJ-UHFFFAOYSA-N 2 2 374.485 0.839 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](O)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000051204649 488127632 /nfs/dbraw/zinc/12/76/32/488127632.db2.gz QJCRTAPCODSGMV-GOSISDBHSA-N 2 2 359.470 0.722 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000051204649 488127638 /nfs/dbraw/zinc/12/76/38/488127638.db2.gz QJCRTAPCODSGMV-GOSISDBHSA-N 2 2 359.470 0.722 20 0 FCADLP CCOc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000051760447 488145050 /nfs/dbraw/zinc/14/50/50/488145050.db2.gz QAGDESNYPVSCEH-MRXNPFEDSA-N 2 2 365.474 0.531 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051958611 488153052 /nfs/dbraw/zinc/15/30/52/488153052.db2.gz RYDZAUDRBTXFMB-KRWDZBQOSA-N 3 2 352.523 0.583 20 0 FCADLP NC(=O)CC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000052941469 488188198 /nfs/dbraw/zinc/18/81/98/488188198.db2.gz QLMJNESSGSAWQJ-UHFFFAOYSA-N 2 2 359.474 0.708 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000066915766 488340304 /nfs/dbraw/zinc/34/03/04/488340304.db2.gz VWDVAQOKGHSVRK-RKVPGOIHSA-N 2 2 368.522 0.447 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000562823573 491193051 /nfs/dbraw/zinc/19/30/51/491193051.db2.gz LTIQAZWFIIQMJM-BBWFWOEESA-N 2 2 366.506 0.204 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000069065550 488370624 /nfs/dbraw/zinc/37/06/24/488370624.db2.gz NRCSGGNBYSAOFL-UHFFFAOYSA-N 2 2 358.446 0.652 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C3(CO)CCOCC3)CC2)c1 ZINC000069247784 488371657 /nfs/dbraw/zinc/37/16/57/488371657.db2.gz MPDPKNVRGNCSFD-UHFFFAOYSA-N 2 2 361.486 0.770 20 0 FCADLP O=C(C[NH2+]C1(CO)CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000069248298 488371792 /nfs/dbraw/zinc/37/17/92/488371792.db2.gz BIVFPZSTQZFVRD-UHFFFAOYSA-N 2 2 353.488 0.523 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccccc1 ZINC000073440792 488384545 /nfs/dbraw/zinc/38/45/45/488384545.db2.gz MWTKNCYRKWDLSG-PKOBYXMFSA-N 2 2 364.490 0.672 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[N@H+](C)C1CC1 ZINC000074099716 488387372 /nfs/dbraw/zinc/38/73/72/488387372.db2.gz BZUMGPZOIRJVBQ-KGLIPLIRSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[N@@H+](C)C1CC1 ZINC000074099716 488387373 /nfs/dbraw/zinc/38/73/73/488387373.db2.gz BZUMGPZOIRJVBQ-KGLIPLIRSA-N 2 2 351.495 0.463 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182403054 488387749 /nfs/dbraw/zinc/38/77/49/488387749.db2.gz SPMZKCSNXRYTTR-UHFFFAOYSA-N 2 2 368.522 0.853 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOCC4(CCOCC4)C3)cn2)CC1 ZINC000183267916 488391924 /nfs/dbraw/zinc/39/19/24/488391924.db2.gz IQMWLTDSZVCKHK-UHFFFAOYSA-N 2 2 361.490 0.857 20 0 FCADLP C[NH+](C)CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000268166910 488392300 /nfs/dbraw/zinc/39/23/00/488392300.db2.gz JIGVYPSPROXXNK-AWEZNQCLSA-N 2 2 350.444 0.525 20 0 FCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000074536599 488392934 /nfs/dbraw/zinc/39/29/34/488392934.db2.gz XGJGBVPMLIHYET-QGZVFWFLSA-N 2 2 353.467 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000074658610 488393242 /nfs/dbraw/zinc/39/32/42/488393242.db2.gz VHGKNAFBNUCLSA-KRWDZBQOSA-N 2 2 351.539 0.997 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000074657198 488393557 /nfs/dbraw/zinc/39/35/57/488393557.db2.gz KZVCWCDYXFINLZ-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000074657198 488393559 /nfs/dbraw/zinc/39/35/59/488393559.db2.gz KZVCWCDYXFINLZ-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000074657197 488393573 /nfs/dbraw/zinc/39/35/73/488393573.db2.gz KZVCWCDYXFINLZ-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000074657197 488393575 /nfs/dbraw/zinc/39/35/75/488393575.db2.gz KZVCWCDYXFINLZ-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnnn1C1CC1 ZINC000074863904 488394567 /nfs/dbraw/zinc/39/45/67/488394567.db2.gz WBSNGPXGTMBNTK-UHFFFAOYSA-N 2 2 350.471 0.175 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnnn1C1CC1 ZINC000074863904 488394570 /nfs/dbraw/zinc/39/45/70/488394570.db2.gz WBSNGPXGTMBNTK-UHFFFAOYSA-N 2 2 350.471 0.175 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+]1C ZINC000554335520 491195156 /nfs/dbraw/zinc/19/51/56/491195156.db2.gz LZBJPSWIYQJBNQ-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+]1C ZINC000554335520 491195157 /nfs/dbraw/zinc/19/51/57/491195157.db2.gz LZBJPSWIYQJBNQ-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3nc(C)ns3)CC2)CC1 ZINC000075967853 488400452 /nfs/dbraw/zinc/40/04/52/488400452.db2.gz QQHQVTWSPKMMFI-CQSZACIVSA-N 2 2 366.535 0.911 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3nc(C)ns3)CC2)CC1 ZINC000075967853 488400453 /nfs/dbraw/zinc/40/04/53/488400453.db2.gz QQHQVTWSPKMMFI-CQSZACIVSA-N 2 2 366.535 0.911 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000185355820 488400819 /nfs/dbraw/zinc/40/08/19/488400819.db2.gz YHSNIMZADIVFHC-SJORKVTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000185355820 488400822 /nfs/dbraw/zinc/40/08/22/488400822.db2.gz YHSNIMZADIVFHC-SJORKVTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335860 491195649 /nfs/dbraw/zinc/19/56/49/491195649.db2.gz QUHCEVUWGOOEMR-LVQVYYBASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335860 491195652 /nfs/dbraw/zinc/19/56/52/491195652.db2.gz QUHCEVUWGOOEMR-LVQVYYBASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335860 491195655 /nfs/dbraw/zinc/19/56/55/491195655.db2.gz QUHCEVUWGOOEMR-LVQVYYBASA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000554335860 491195658 /nfs/dbraw/zinc/19/56/58/491195658.db2.gz QUHCEVUWGOOEMR-LVQVYYBASA-N 2 2 354.495 0.153 20 0 FCADLP C[NH+]1CCN(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000076410743 488404310 /nfs/dbraw/zinc/40/43/10/488404310.db2.gz XIVAUOCKAHDXBG-UHFFFAOYSA-N 2 2 373.545 0.558 20 0 FCADLP C[NH+]1CCN(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000076410743 488404312 /nfs/dbraw/zinc/40/43/12/488404312.db2.gz XIVAUOCKAHDXBG-UHFFFAOYSA-N 2 2 373.545 0.558 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000076492221 488405308 /nfs/dbraw/zinc/40/53/08/488405308.db2.gz WISXRJPHFOZDMF-CALCHBBNSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000076492221 488405311 /nfs/dbraw/zinc/40/53/11/488405311.db2.gz WISXRJPHFOZDMF-CALCHBBNSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076599367 488405836 /nfs/dbraw/zinc/40/58/36/488405836.db2.gz ZEPKDROAPGKDGJ-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000569833901 491196584 /nfs/dbraw/zinc/19/65/84/491196584.db2.gz HFERHBKLVJJCTO-HZPDHXFCSA-N 2 2 352.504 0.592 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191480100 488419988 /nfs/dbraw/zinc/41/99/88/488419988.db2.gz VMBIROOGCMQTKT-UHFFFAOYSA-N 3 2 367.582 0.889 20 0 FCADLP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000078719916 488424733 /nfs/dbraw/zinc/42/47/33/488424733.db2.gz LGAVMRYPSOTRII-INIZCTEOSA-N 2 2 359.536 0.876 20 0 FCADLP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000078719916 488424735 /nfs/dbraw/zinc/42/47/35/488424735.db2.gz LGAVMRYPSOTRII-INIZCTEOSA-N 2 2 359.536 0.876 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000079200985 488428464 /nfs/dbraw/zinc/42/84/64/488428464.db2.gz MHPCMNMQNNJKNI-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000079200985 488428466 /nfs/dbraw/zinc/42/84/66/488428466.db2.gz MHPCMNMQNNJKNI-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572188 488442852 /nfs/dbraw/zinc/44/28/52/488442852.db2.gz XQYQLGAKTQMFOI-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572188 488442856 /nfs/dbraw/zinc/44/28/56/488442856.db2.gz XQYQLGAKTQMFOI-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572188 488442859 /nfs/dbraw/zinc/44/28/59/488442859.db2.gz XQYQLGAKTQMFOI-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000081572188 488442861 /nfs/dbraw/zinc/44/28/61/488442861.db2.gz XQYQLGAKTQMFOI-MRXNPFEDSA-N 2 2 350.507 0.731 20 0 FCADLP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000081529573 488443068 /nfs/dbraw/zinc/44/30/68/488443068.db2.gz OVFVTWWDNKRXGB-AWEZNQCLSA-N 2 2 352.504 0.706 20 0 FCADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000081529573 488443071 /nfs/dbraw/zinc/44/30/71/488443071.db2.gz OVFVTWWDNKRXGB-AWEZNQCLSA-N 2 2 352.504 0.706 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCC(=O)c2ccccc2)CC1 ZINC000083170073 488446913 /nfs/dbraw/zinc/44/69/13/488446913.db2.gz IFBNAYLOSQHRLC-UHFFFAOYSA-N 2 2 374.485 0.375 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000083713036 488448366 /nfs/dbraw/zinc/44/83/66/488448366.db2.gz ILOXYNXWQMVCTL-ZIFCJYIRSA-N 2 2 370.538 0.831 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000085366366 488451555 /nfs/dbraw/zinc/45/15/55/488451555.db2.gz VFILHTHXRCAQHL-GJZGRUSLSA-N 2 2 367.538 0.957 20 0 FCADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000236872372 488453919 /nfs/dbraw/zinc/45/39/19/488453919.db2.gz ZQHASPCQOVMQPQ-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1=O ZINC000237504091 488455691 /nfs/dbraw/zinc/45/56/91/488455691.db2.gz VJYDEELMGZIVNY-KRWDZBQOSA-N 2 2 374.485 0.168 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000268939601 488458410 /nfs/dbraw/zinc/45/84/10/488458410.db2.gz KEULKQBWGWFQRF-MRXNPFEDSA-N 2 2 370.457 0.782 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000268939601 488458411 /nfs/dbraw/zinc/45/84/11/488458411.db2.gz KEULKQBWGWFQRF-MRXNPFEDSA-N 2 2 370.457 0.782 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000238095183 488458985 /nfs/dbraw/zinc/45/89/85/488458985.db2.gz DVAOISWYPDMQBG-SFHVURJKSA-N 2 2 366.469 0.602 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202916 488462780 /nfs/dbraw/zinc/46/27/80/488462780.db2.gz XGCIVEFDXGMDBA-BRWVUGGUSA-N 2 2 360.506 0.976 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245407265 488463418 /nfs/dbraw/zinc/46/34/18/488463418.db2.gz ALMWVJHOZSSYOS-HOTGVXAUSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245407265 488463421 /nfs/dbraw/zinc/46/34/21/488463421.db2.gz ALMWVJHOZSSYOS-HOTGVXAUSA-N 2 2 359.474 0.706 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000245944779 488467617 /nfs/dbraw/zinc/46/76/17/488467617.db2.gz WFXYAMWKELKMOK-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000245944779 488467619 /nfs/dbraw/zinc/46/76/19/488467619.db2.gz WFXYAMWKELKMOK-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246003411 488469000 /nfs/dbraw/zinc/46/90/00/488469000.db2.gz YPGDUZNCRJOCAS-KGLIPLIRSA-N 2 2 351.451 0.535 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246003411 488469001 /nfs/dbraw/zinc/46/90/01/488469001.db2.gz YPGDUZNCRJOCAS-KGLIPLIRSA-N 2 2 351.451 0.535 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246743820 488475261 /nfs/dbraw/zinc/47/52/61/488475261.db2.gz AHGZEKHOBKZIRS-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000246743820 488475263 /nfs/dbraw/zinc/47/52/63/488475263.db2.gz AHGZEKHOBKZIRS-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000246870015 488477386 /nfs/dbraw/zinc/47/73/86/488477386.db2.gz VZPAQZZNYODJMN-HBFSDRIKSA-N 2 2 374.529 0.889 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000246870015 488477387 /nfs/dbraw/zinc/47/73/87/488477387.db2.gz VZPAQZZNYODJMN-HBFSDRIKSA-N 2 2 374.529 0.889 20 0 FCADLP C[N@H+](CCN1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000093173058 488477935 /nfs/dbraw/zinc/47/79/35/488477935.db2.gz WQRBRYRUAFVMEP-UHFFFAOYSA-N 3 2 373.545 0.510 20 0 FCADLP C[N@@H+](CCN1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000093173058 488477936 /nfs/dbraw/zinc/47/79/36/488477936.db2.gz WQRBRYRUAFVMEP-UHFFFAOYSA-N 3 2 373.545 0.510 20 0 FCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000269250866 488482453 /nfs/dbraw/zinc/48/24/53/488482453.db2.gz GUNPXSPWYVIANE-OALUTQOASA-N 2 2 361.486 0.815 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269248529 488482553 /nfs/dbraw/zinc/48/25/53/488482553.db2.gz FMZDJZSFEQRFHV-IBGZPJMESA-N 3 2 373.501 0.886 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269248529 488482555 /nfs/dbraw/zinc/48/25/55/488482555.db2.gz FMZDJZSFEQRFHV-IBGZPJMESA-N 3 2 373.501 0.886 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000248067494 488493452 /nfs/dbraw/zinc/49/34/52/488493452.db2.gz MIDJXTCMGAVQDE-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000248067494 488493453 /nfs/dbraw/zinc/49/34/53/488493453.db2.gz MIDJXTCMGAVQDE-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)N1CCCCC1 ZINC000248067494 488493455 /nfs/dbraw/zinc/49/34/55/488493455.db2.gz MIDJXTCMGAVQDE-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)N1CCCCC1 ZINC000248067494 488493457 /nfs/dbraw/zinc/49/34/57/488493457.db2.gz MIDJXTCMGAVQDE-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000248125970 488493689 /nfs/dbraw/zinc/49/36/89/488493689.db2.gz NYAGCYOEYVWWDK-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000248125970 488493692 /nfs/dbraw/zinc/49/36/92/488493692.db2.gz NYAGCYOEYVWWDK-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000248125970 488493693 /nfs/dbraw/zinc/49/36/93/488493693.db2.gz NYAGCYOEYVWWDK-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000248125970 488493696 /nfs/dbraw/zinc/49/36/96/488493696.db2.gz NYAGCYOEYVWWDK-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000103211160 488500039 /nfs/dbraw/zinc/50/00/39/488500039.db2.gz FWQYILWZCMDPER-UHFFFAOYSA-N 2 2 355.504 0.797 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000104068107 488503651 /nfs/dbraw/zinc/50/36/51/488503651.db2.gz YNJHHXGSUXXGAW-MRXNPFEDSA-N 2 2 355.442 0.609 20 0 FCADLP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](C)O ZINC000249007462 488505496 /nfs/dbraw/zinc/50/54/96/488505496.db2.gz ZQWZZKXMYQHGRC-CABCVRRESA-N 2 2 355.504 0.456 20 0 FCADLP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](C)O ZINC000249007462 488505497 /nfs/dbraw/zinc/50/54/97/488505497.db2.gz ZQWZZKXMYQHGRC-CABCVRRESA-N 2 2 355.504 0.456 20 0 FCADLP C[C@@H](O)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)CO ZINC000249004421 488505509 /nfs/dbraw/zinc/50/55/09/488505509.db2.gz ZHODRYDSTRGLMB-HZPDHXFCSA-N 2 2 350.463 0.184 20 0 FCADLP C[C@@H](O)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)CO ZINC000249004421 488505511 /nfs/dbraw/zinc/50/55/11/488505511.db2.gz ZHODRYDSTRGLMB-HZPDHXFCSA-N 2 2 350.463 0.184 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C(C)C ZINC000104801397 488506142 /nfs/dbraw/zinc/50/61/42/488506142.db2.gz BNGYWOCEGRGVTH-HNNXBMFYSA-N 2 2 353.511 0.711 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C(C)C ZINC000104801397 488506144 /nfs/dbraw/zinc/50/61/44/488506144.db2.gz BNGYWOCEGRGVTH-HNNXBMFYSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@@H](CO)O1 ZINC000249490686 488510664 /nfs/dbraw/zinc/51/06/64/488510664.db2.gz VGRXGFNHUNAUOI-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@@H](CO)O1 ZINC000249490686 488510665 /nfs/dbraw/zinc/51/06/65/488510665.db2.gz VGRXGFNHUNAUOI-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@@H](CO)O1 ZINC000249490686 488510668 /nfs/dbraw/zinc/51/06/68/488510668.db2.gz VGRXGFNHUNAUOI-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@H](C)O[C@H](CO)C3)c2)C[C@@H](CO)O1 ZINC000249490686 488510671 /nfs/dbraw/zinc/51/06/71/488510671.db2.gz VGRXGFNHUNAUOI-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549806 488511859 /nfs/dbraw/zinc/51/18/59/488511859.db2.gz HMZHTJZABNFAFJ-GEEKYZPCSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549806 488511862 /nfs/dbraw/zinc/51/18/62/488511862.db2.gz HMZHTJZABNFAFJ-GEEKYZPCSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)C[C@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549806 488511864 /nfs/dbraw/zinc/51/18/64/488511864.db2.gz HMZHTJZABNFAFJ-GEEKYZPCSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)C[C@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549806 488511866 /nfs/dbraw/zinc/51/18/66/488511866.db2.gz HMZHTJZABNFAFJ-GEEKYZPCSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1O ZINC000249602493 488512908 /nfs/dbraw/zinc/51/29/08/488512908.db2.gz YSWOVRRDAUDDGO-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1O ZINC000249602493 488512912 /nfs/dbraw/zinc/51/29/12/488512912.db2.gz YSWOVRRDAUDDGO-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1COCCN1CC[N@@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000249609031 488512968 /nfs/dbraw/zinc/51/29/68/488512968.db2.gz RURRGYXNHAOWFV-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000249609031 488512971 /nfs/dbraw/zinc/51/29/71/488512971.db2.gz RURRGYXNHAOWFV-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000249609031 488512973 /nfs/dbraw/zinc/51/29/73/488512973.db2.gz RURRGYXNHAOWFV-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000249609031 488512975 /nfs/dbraw/zinc/51/29/75/488512975.db2.gz RURRGYXNHAOWFV-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000251550806 488516676 /nfs/dbraw/zinc/51/66/76/488516676.db2.gz FMVDTKOJGXIREL-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000251550806 488516677 /nfs/dbraw/zinc/51/66/77/488516677.db2.gz FMVDTKOJGXIREL-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP CCOC(=O)CC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000563009514 491207951 /nfs/dbraw/zinc/20/79/51/491207951.db2.gz AYWYQEMWSZLEGM-UYTSQGDYSA-N 2 2 355.479 0.364 20 0 FCADLP CCOC(=O)CC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000563009514 491207952 /nfs/dbraw/zinc/20/79/52/491207952.db2.gz AYWYQEMWSZLEGM-UYTSQGDYSA-N 2 2 355.479 0.364 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261591976 488527126 /nfs/dbraw/zinc/52/71/26/488527126.db2.gz MGUBWIPDPJIFPM-AEFFLSMTSA-N 2 2 362.474 0.103 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261591976 488527129 /nfs/dbraw/zinc/52/71/29/488527129.db2.gz MGUBWIPDPJIFPM-AEFFLSMTSA-N 2 2 362.474 0.103 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261667302 488530027 /nfs/dbraw/zinc/53/00/27/488530027.db2.gz ITLWKOOICMTAJD-INIZCTEOSA-N 2 2 354.476 0.546 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261667302 488530028 /nfs/dbraw/zinc/53/00/28/488530028.db2.gz ITLWKOOICMTAJD-INIZCTEOSA-N 2 2 354.476 0.546 20 0 FCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608650 488530905 /nfs/dbraw/zinc/53/09/05/488530905.db2.gz ALGYWLMHXYCEPW-SWLSCSKDSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608650 488530907 /nfs/dbraw/zinc/53/09/07/488530907.db2.gz ALGYWLMHXYCEPW-SWLSCSKDSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726685 488533346 /nfs/dbraw/zinc/53/33/46/488533346.db2.gz NYNVODQJUKNCCQ-FZKQIMNGSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726685 488533347 /nfs/dbraw/zinc/53/33/47/488533347.db2.gz NYNVODQJUKNCCQ-FZKQIMNGSA-N 2 2 350.438 0.790 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261751678 488534098 /nfs/dbraw/zinc/53/40/98/488534098.db2.gz LFWZKFWCYXSVHJ-GOSISDBHSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261751678 488534100 /nfs/dbraw/zinc/53/41/00/488534100.db2.gz LFWZKFWCYXSVHJ-GOSISDBHSA-N 2 2 351.447 0.999 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261829641 488537592 /nfs/dbraw/zinc/53/75/92/488537592.db2.gz JGSPGNOJOJFNTL-DLBZAZTESA-N 2 2 350.507 0.921 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC000261869666 488539577 /nfs/dbraw/zinc/53/95/77/488539577.db2.gz NXOYRPDCDLONPV-KKUMJFAQSA-N 2 2 363.462 0.890 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)on1 ZINC000261869666 488539580 /nfs/dbraw/zinc/53/95/80/488539580.db2.gz NXOYRPDCDLONPV-KKUMJFAQSA-N 2 2 363.462 0.890 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000261924533 488542013 /nfs/dbraw/zinc/54/20/13/488542013.db2.gz BYZGVLYRNUCFPM-HNNXBMFYSA-N 2 2 353.488 0.910 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000261924533 488542014 /nfs/dbraw/zinc/54/20/14/488542014.db2.gz BYZGVLYRNUCFPM-HNNXBMFYSA-N 2 2 353.488 0.910 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261939041 488542610 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368.522 0.498 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000119630480 488558180 /nfs/dbraw/zinc/55/81/80/488558180.db2.gz OVPSNICNNSTBTG-OAHLLOKOSA-N 2 2 350.467 0.502 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000119630480 488558182 /nfs/dbraw/zinc/55/81/82/488558182.db2.gz OVPSNICNNSTBTG-OAHLLOKOSA-N 2 2 350.467 0.502 20 0 FCADLP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262432744 488570184 /nfs/dbraw/zinc/57/01/84/488570184.db2.gz SRUVUCDWKVDIMD-CYBMUJFWSA-N 2 2 356.829 0.635 20 0 FCADLP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262432744 488570188 /nfs/dbraw/zinc/57/01/88/488570188.db2.gz SRUVUCDWKVDIMD-CYBMUJFWSA-N 2 2 356.829 0.635 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262433621 488570290 /nfs/dbraw/zinc/57/02/90/488570290.db2.gz WWOXLOHRKPKRLW-UHFFFAOYSA-N 2 2 367.519 0.661 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262433621 488570291 /nfs/dbraw/zinc/57/02/91/488570291.db2.gz WWOXLOHRKPKRLW-UHFFFAOYSA-N 2 2 367.519 0.661 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000562996620 491206628 /nfs/dbraw/zinc/20/66/28/491206628.db2.gz RRYTVKNXBFUZME-UIBIWLFHSA-N 2 2 351.495 0.449 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000562996620 491206631 /nfs/dbraw/zinc/20/66/31/491206631.db2.gz RRYTVKNXBFUZME-UIBIWLFHSA-N 2 2 351.495 0.449 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)c[nH+]1 ZINC000262477888 488572586 /nfs/dbraw/zinc/57/25/86/488572586.db2.gz ZBIATFHQNLDADB-UHFFFAOYSA-N 2 2 368.503 0.711 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262540683 488576156 /nfs/dbraw/zinc/57/61/56/488576156.db2.gz NESQOGBVSOSWLL-KRWDZBQOSA-N 2 2 360.458 0.584 20 0 FCADLP CSC[C@@H](O)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562999357 491207187 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GDKJQNCMBLZVFI-HOTGVXAUSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000124391480 488592366 /nfs/dbraw/zinc/59/23/66/488592366.db2.gz GDKJQNCMBLZVFI-HOTGVXAUSA-N 2 2 374.551 0.621 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)cc(OC)c1 ZINC000262802374 488594088 /nfs/dbraw/zinc/59/40/88/488594088.db2.gz RFEQHMUZXIQHEC-KRWDZBQOSA-N 2 2 351.447 0.712 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000563056262 491211094 /nfs/dbraw/zinc/21/10/94/491211094.db2.gz GDOIGRSQTHQVJJ-QZTJIDSGSA-N 2 2 374.485 0.434 20 0 FCADLP CC[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000125380036 488600997 /nfs/dbraw/zinc/60/09/97/488600997.db2.gz VEPPMEHENIPYJA-CQSZACIVSA-N 2 2 357.462 0.744 20 0 FCADLP CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000125380036 488600998 /nfs/dbraw/zinc/60/09/98/488600998.db2.gz VEPPMEHENIPYJA-CQSZACIVSA-N 2 2 357.462 0.744 20 0 FCADLP CC[C@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000125380275 488601149 /nfs/dbraw/zinc/60/11/49/488601149.db2.gz VEPPMEHENIPYJA-AWEZNQCLSA-N 2 2 357.462 0.744 20 0 FCADLP CC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000125380275 488601152 /nfs/dbraw/zinc/60/11/52/488601152.db2.gz VEPPMEHENIPYJA-AWEZNQCLSA-N 2 2 357.462 0.744 20 0 FCADLP O=C(CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000126049449 488606298 /nfs/dbraw/zinc/60/62/98/488606298.db2.gz OSHZPDWAMNMGHT-HNNXBMFYSA-N 2 2 366.487 0.897 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1CCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000127162713 488614489 /nfs/dbraw/zinc/61/44/89/488614489.db2.gz NNPFERQCTPIQRA-AWEZNQCLSA-N 2 2 356.517 0.629 20 0 FCADLP COCC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127187006 488614948 /nfs/dbraw/zinc/61/49/48/488614948.db2.gz IWMRXLDPQAJYOA-HNNXBMFYSA-N 2 2 356.492 0.548 20 0 FCADLP COCC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127187258 488614967 /nfs/dbraw/zinc/61/49/67/488614967.db2.gz IWMRXLDPQAJYOA-OAHLLOKOSA-N 2 2 356.492 0.548 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000263714051 488621128 /nfs/dbraw/zinc/62/11/28/488621128.db2.gz ABGRXEMUOLTJCJ-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000263714051 488621129 /nfs/dbraw/zinc/62/11/29/488621129.db2.gz ABGRXEMUOLTJCJ-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129688345 488633281 /nfs/dbraw/zinc/63/32/81/488633281.db2.gz IJNPAFVPTYWSAD-QWHCGFSZSA-N 2 2 374.445 0.491 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129688345 488633283 /nfs/dbraw/zinc/63/32/83/488633283.db2.gz IJNPAFVPTYWSAD-QWHCGFSZSA-N 2 2 374.445 0.491 20 0 FCADLP CCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000130485046 488638090 /nfs/dbraw/zinc/63/80/90/488638090.db2.gz VMABUAFIZYMTMD-HNNXBMFYSA-N 2 2 356.492 0.549 20 0 FCADLP CCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000130485046 488638092 /nfs/dbraw/zinc/63/80/92/488638092.db2.gz VMABUAFIZYMTMD-HNNXBMFYSA-N 2 2 356.492 0.549 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000130540053 488638109 /nfs/dbraw/zinc/63/81/09/488638109.db2.gz HSOGVCUAOPSHMJ-UHFFFAOYSA-N 3 2 372.473 0.763 20 0 FCADLP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000130556143 488638852 /nfs/dbraw/zinc/63/88/52/488638852.db2.gz KBLSRASKJPOBPQ-HNNXBMFYSA-N 2 2 360.458 0.687 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130688185 488639908 /nfs/dbraw/zinc/63/99/08/488639908.db2.gz BPLOWWXIGWIFKV-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130688185 488639910 /nfs/dbraw/zinc/63/99/10/488639910.db2.gz BPLOWWXIGWIFKV-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000131200216 488643752 /nfs/dbraw/zinc/64/37/52/488643752.db2.gz ZFFKTQVESAAJDW-SJLPKXTDSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000131200216 488643753 /nfs/dbraw/zinc/64/37/53/488643753.db2.gz ZFFKTQVESAAJDW-SJLPKXTDSA-N 2 2 365.449 0.980 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000264165622 488651398 /nfs/dbraw/zinc/65/13/98/488651398.db2.gz VNDFWNXCBWYDIJ-OAHLLOKOSA-N 2 2 363.462 0.643 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)[NH+](C)C ZINC000132900168 488656265 /nfs/dbraw/zinc/65/62/65/488656265.db2.gz DGEMWJJBYLGGGO-INIZCTEOSA-N 2 2 361.490 0.986 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000264279784 488659870 /nfs/dbraw/zinc/65/98/70/488659870.db2.gz QBMGQVISABUZTP-UHFFFAOYSA-N 2 2 360.418 0.242 20 0 FCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000134365109 488666697 /nfs/dbraw/zinc/66/66/97/488666697.db2.gz AZKBFYNYWQCYJQ-INIZCTEOSA-N 2 2 374.551 0.378 20 0 FCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000134365109 488666699 /nfs/dbraw/zinc/66/66/99/488666699.db2.gz AZKBFYNYWQCYJQ-INIZCTEOSA-N 2 2 374.551 0.378 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869925 488669249 /nfs/dbraw/zinc/66/92/49/488669249.db2.gz LLIRQBYZYPFHMK-NVXWUHKLSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869925 488669251 /nfs/dbraw/zinc/66/92/51/488669251.db2.gz LLIRQBYZYPFHMK-NVXWUHKLSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869925 488669252 /nfs/dbraw/zinc/66/92/52/488669252.db2.gz LLIRQBYZYPFHMK-NVXWUHKLSA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869925 488669254 /nfs/dbraw/zinc/66/92/54/488669254.db2.gz LLIRQBYZYPFHMK-NVXWUHKLSA-N 2 2 359.536 0.891 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134883987 488669362 /nfs/dbraw/zinc/66/93/62/488669362.db2.gz YYHVPWFEHDIWDV-WBVHZDCISA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134883987 488669365 /nfs/dbraw/zinc/66/93/65/488669365.db2.gz YYHVPWFEHDIWDV-WBVHZDCISA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134883987 488669366 /nfs/dbraw/zinc/66/93/66/488669366.db2.gz YYHVPWFEHDIWDV-WBVHZDCISA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134883987 488669368 /nfs/dbraw/zinc/66/93/68/488669368.db2.gz YYHVPWFEHDIWDV-WBVHZDCISA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1 ZINC000274177251 488688409 /nfs/dbraw/zinc/68/84/09/488688409.db2.gz IKKYJWSPNYGSCL-KRWDZBQOSA-N 2 2 355.504 0.931 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000563115613 491217576 /nfs/dbraw/zinc/21/75/76/491217576.db2.gz YTFKNZTWICAQPT-XLIONFOSSA-N 2 2 373.501 0.558 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000264685932 488698388 /nfs/dbraw/zinc/69/83/88/488698388.db2.gz CGRXFQAMVKYGPB-KRWDZBQOSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000264685932 488698389 /nfs/dbraw/zinc/69/83/89/488698389.db2.gz CGRXFQAMVKYGPB-KRWDZBQOSA-N 2 2 363.506 0.672 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698450 488699603 /nfs/dbraw/zinc/69/96/03/488699603.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698450 488699604 /nfs/dbraw/zinc/69/96/04/488699604.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698450 488699606 /nfs/dbraw/zinc/69/96/06/488699606.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000264698450 488699608 /nfs/dbraw/zinc/69/96/08/488699608.db2.gz GLYSDPXMCTWTIL-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP CC(C)(CNC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000150779486 488700024 /nfs/dbraw/zinc/70/00/24/488700024.db2.gz MPXULEZSUSKNDU-QGZVFWFLSA-N 2 2 352.523 0.631 20 0 FCADLP C[C@@H]1C[NH+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)O1 ZINC000274377903 488702197 /nfs/dbraw/zinc/70/21/97/488702197.db2.gz RUBQZEQJRSVEGS-HUUCEWRRSA-N 2 2 362.478 0.666 20 0 FCADLP C[C@@H]1C[NH+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C[C@@H](C)O1 ZINC000274377903 488702200 /nfs/dbraw/zinc/70/22/00/488702200.db2.gz RUBQZEQJRSVEGS-HUUCEWRRSA-N 2 2 362.478 0.666 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000151199558 488702205 /nfs/dbraw/zinc/70/22/05/488702205.db2.gz UJZAADODCUGBHN-IYBDPMFKSA-N 2 2 370.538 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000151199558 488702209 /nfs/dbraw/zinc/70/22/09/488702209.db2.gz UJZAADODCUGBHN-IYBDPMFKSA-N 2 2 370.538 0.972 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)NCC[NH+]1CCOCC1 ZINC000264744918 488706258 /nfs/dbraw/zinc/70/62/58/488706258.db2.gz LGEAJROZCYBFJF-NVXWUHKLSA-N 2 2 365.478 0.253 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151823648 488710218 /nfs/dbraw/zinc/71/02/18/488710218.db2.gz JVXCWNLNMPXZFD-UHFFFAOYSA-N 2 2 355.527 0.112 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264776393 488710674 /nfs/dbraw/zinc/71/06/74/488710674.db2.gz UGTGIVMMPALUNQ-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000264776393 488710675 /nfs/dbraw/zinc/71/06/75/488710675.db2.gz UGTGIVMMPALUNQ-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776393 488710676 /nfs/dbraw/zinc/71/06/76/488710676.db2.gz UGTGIVMMPALUNQ-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776393 488710678 /nfs/dbraw/zinc/71/06/78/488710678.db2.gz UGTGIVMMPALUNQ-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102252 491215348 /nfs/dbraw/zinc/21/53/48/491215348.db2.gz ZRIFHMIODRTJRF-WFASDCNBSA-N 2 2 366.487 0.112 20 0 FCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102252 491215355 /nfs/dbraw/zinc/21/53/55/491215355.db2.gz ZRIFHMIODRTJRF-WFASDCNBSA-N 2 2 366.487 0.112 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000153172964 488728149 /nfs/dbraw/zinc/72/81/49/488728149.db2.gz LFINMTQHUQXROL-LJQANCHMSA-N 2 2 373.457 0.954 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000266889266 488740604 /nfs/dbraw/zinc/74/06/04/488740604.db2.gz LWHQSTHUNDQYLR-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000266889266 488740605 /nfs/dbraw/zinc/74/06/05/488740605.db2.gz LWHQSTHUNDQYLR-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000266894461 488741068 /nfs/dbraw/zinc/74/10/68/488741068.db2.gz DUNHOSUKPTZANX-CQSZACIVSA-N 2 2 370.457 0.929 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)Cc1ccccc1 ZINC000274945793 488746442 /nfs/dbraw/zinc/74/64/42/488746442.db2.gz CHYBTHZSUVCDID-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000274945793 488746444 /nfs/dbraw/zinc/74/64/44/488746444.db2.gz CHYBTHZSUVCDID-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH+](CCO)CC3)CC2)cs1 ZINC000154795231 488747403 /nfs/dbraw/zinc/74/74/03/488747403.db2.gz FRIYWSRDKANQMU-UHFFFAOYSA-N 2 2 352.504 0.800 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266958188 488748217 /nfs/dbraw/zinc/74/82/17/488748217.db2.gz WAXFWLHCKQXQSX-LBPRGKRZSA-N 2 2 363.443 0.875 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266958188 488748220 /nfs/dbraw/zinc/74/82/20/488748220.db2.gz WAXFWLHCKQXQSX-LBPRGKRZSA-N 2 2 363.443 0.875 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)COCC3CC3)CC2)CC1 ZINC000155024820 488750003 /nfs/dbraw/zinc/75/00/03/488750003.db2.gz OOCRTFOHSLYTLO-GOSISDBHSA-N 2 2 368.522 0.632 20 0 FCADLP CC[N@H+](C)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000155134574 488751750 /nfs/dbraw/zinc/75/17/50/488751750.db2.gz XNXQISCBVBOANL-UHFFFAOYSA-N 2 2 362.478 0.371 20 0 FCADLP CC[N@@H+](C)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000155134574 488751752 /nfs/dbraw/zinc/75/17/52/488751752.db2.gz XNXQISCBVBOANL-UHFFFAOYSA-N 2 2 362.478 0.371 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc(OC)c1 ZINC000267018174 488753520 /nfs/dbraw/zinc/75/35/20/488753520.db2.gz UWMFNNWMRJEEFK-GOSISDBHSA-N 2 2 363.458 0.679 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc(OC)c1 ZINC000267018174 488753523 /nfs/dbraw/zinc/75/35/23/488753523.db2.gz UWMFNNWMRJEEFK-GOSISDBHSA-N 2 2 363.458 0.679 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000156773405 488767008 /nfs/dbraw/zinc/76/70/08/488767008.db2.gz FGCSLARIKMEEEJ-DLBZAZTESA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000156773405 488767011 /nfs/dbraw/zinc/76/70/11/488767011.db2.gz FGCSLARIKMEEEJ-DLBZAZTESA-N 2 2 374.489 0.058 20 0 FCADLP Cc1ccc2ncc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c(=O)n2c1 ZINC000267208162 488769619 /nfs/dbraw/zinc/76/96/19/488769619.db2.gz FJCIGKRSKNJTPI-UHFFFAOYSA-N 2 2 357.458 0.759 20 0 FCADLP CCNC(=O)N1CC[NH+](CCCC[NH+]2CCN(C(=O)NCC)CC2)CC1 ZINC000157364948 488770882 /nfs/dbraw/zinc/77/08/82/488770882.db2.gz PFELXKIUKMGCMI-UHFFFAOYSA-N 2 2 368.526 0.461 20 0 FCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000157424272 488771316 /nfs/dbraw/zinc/77/13/16/488771316.db2.gz UGBMWZMKNDWBHX-UHFFFAOYSA-N 2 2 362.474 0.583 20 0 FCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000157424272 488771318 /nfs/dbraw/zinc/77/13/18/488771318.db2.gz UGBMWZMKNDWBHX-UHFFFAOYSA-N 2 2 362.474 0.583 20 0 FCADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000554721915 491221342 /nfs/dbraw/zinc/22/13/42/491221342.db2.gz UJMJKQFWSBNHSM-CABCVRRESA-N 2 2 356.430 0.764 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000267418465 488784980 /nfs/dbraw/zinc/78/49/80/488784980.db2.gz CBWQNQVDSHKKBQ-KBPBESRZSA-N 2 2 368.503 0.537 20 0 FCADLP Cc1ccc(NCCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)[nH+]c1 ZINC000267600308 488802547 /nfs/dbraw/zinc/80/25/47/488802547.db2.gz LVHBOJHZMCVRCT-INIZCTEOSA-N 2 2 365.478 0.527 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162443242 488802718 /nfs/dbraw/zinc/80/27/18/488802718.db2.gz KGTPESYBNDSVNL-QZTJIDSGSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162443242 488802721 /nfs/dbraw/zinc/80/27/21/488802721.db2.gz KGTPESYBNDSVNL-QZTJIDSGSA-N 2 2 361.486 0.973 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000267602664 488803077 /nfs/dbraw/zinc/80/30/77/488803077.db2.gz VXORSDWNSWUDJZ-UHFFFAOYSA-N 2 2 362.474 0.520 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000163238607 488806602 /nfs/dbraw/zinc/80/66/02/488806602.db2.gz ZRJKKLATAWRMNN-ZDUSSCGKSA-N 2 2 354.476 0.019 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267628428 488807002 /nfs/dbraw/zinc/80/70/02/488807002.db2.gz FMILIFGHBSOVGP-SFHVURJKSA-N 2 2 358.442 0.697 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000163760818 488809040 /nfs/dbraw/zinc/80/90/40/488809040.db2.gz DIYAFOGZUCWGHB-IAGOWNOFSA-N 2 2 350.507 0.779 20 0 FCADLP COC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[NH2+]CC1 ZINC000164190616 488810278 /nfs/dbraw/zinc/81/02/78/488810278.db2.gz BTXXAYYHSRRGGA-UHFFFAOYSA-N 2 2 374.485 0.974 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171009956 488819114 /nfs/dbraw/zinc/81/91/14/488819114.db2.gz RFHHNTKNIUHGDX-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171009956 488819115 /nfs/dbraw/zinc/81/91/15/488819115.db2.gz RFHHNTKNIUHGDX-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171009956 488819117 /nfs/dbraw/zinc/81/91/17/488819117.db2.gz RFHHNTKNIUHGDX-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171009956 488819119 /nfs/dbraw/zinc/81/91/19/488819119.db2.gz RFHHNTKNIUHGDX-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171097060 488819745 /nfs/dbraw/zinc/81/97/45/488819745.db2.gz SFPIQDFFSIIYLE-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171097060 488819746 /nfs/dbraw/zinc/81/97/46/488819746.db2.gz SFPIQDFFSIIYLE-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000171097060 488819747 /nfs/dbraw/zinc/81/97/47/488819747.db2.gz SFPIQDFFSIIYLE-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000171097060 488819749 /nfs/dbraw/zinc/81/97/49/488819749.db2.gz SFPIQDFFSIIYLE-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000171192526 488820799 /nfs/dbraw/zinc/82/07/99/488820799.db2.gz GOHJYNJKXYEVDE-UHFFFAOYSA-N 2 2 364.490 0.896 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000171192526 488820800 /nfs/dbraw/zinc/82/08/00/488820800.db2.gz GOHJYNJKXYEVDE-UHFFFAOYSA-N 2 2 364.490 0.896 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000171190274 488820914 /nfs/dbraw/zinc/82/09/14/488820914.db2.gz MQDXUCOXNSLTEX-HNNXBMFYSA-N 2 2 370.519 0.999 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000171190274 488820915 /nfs/dbraw/zinc/82/09/15/488820915.db2.gz MQDXUCOXNSLTEX-HNNXBMFYSA-N 2 2 370.519 0.999 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]1 ZINC000570190026 491223183 /nfs/dbraw/zinc/22/31/83/491223183.db2.gz ZFRNQKCSCWSILJ-HIFRSBDPSA-N 2 2 350.488 0.649 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCOC(C)(C)C3)cc2C1 ZINC000171297865 488821928 /nfs/dbraw/zinc/82/19/28/488821928.db2.gz ACVBVPCXAMVWEN-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCOC(C)(C)C3)cc2C1 ZINC000171297865 488821930 /nfs/dbraw/zinc/82/19/30/488821930.db2.gz ACVBVPCXAMVWEN-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[NH+]1Cc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCOC(C)(C)C3)cc2C1 ZINC000171297865 488821931 /nfs/dbraw/zinc/82/19/31/488821931.db2.gz ACVBVPCXAMVWEN-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[NH+]1Cc2ccc(NC(=O)C(=O)NCC[N@H+]3CCOC(C)(C)C3)cc2C1 ZINC000171297865 488821933 /nfs/dbraw/zinc/82/19/33/488821933.db2.gz ACVBVPCXAMVWEN-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCSCC2)CC1 ZINC000171627289 488824479 /nfs/dbraw/zinc/82/44/79/488824479.db2.gz KPGHKQLZZOLDOC-UHFFFAOYSA-N 2 2 361.475 0.061 20 0 FCADLP CC[C@H](C)NC(=O)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000171648963 488825204 /nfs/dbraw/zinc/82/52/04/488825204.db2.gz COBKAGYJAWMILR-HNNXBMFYSA-N 2 2 355.527 0.959 20 0 FCADLP CC[C@H](C)NC(=O)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000171648963 488825205 /nfs/dbraw/zinc/82/52/05/488825205.db2.gz COBKAGYJAWMILR-HNNXBMFYSA-N 2 2 355.527 0.959 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCN(C(N)=O)CC3)CC2)c1 ZINC000171883864 488828044 /nfs/dbraw/zinc/82/80/44/488828044.db2.gz IICSVDPETAMIJL-UHFFFAOYSA-N 2 2 373.501 0.726 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCN(C(N)=O)CC3)CC2)c1 ZINC000171883864 488828046 /nfs/dbraw/zinc/82/80/46/488828046.db2.gz IICSVDPETAMIJL-UHFFFAOYSA-N 2 2 373.501 0.726 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3noc(C)n3)CC2)CC1 ZINC000172254365 488831906 /nfs/dbraw/zinc/83/19/06/488831906.db2.gz RGVBIVSJXXQXGV-CQSZACIVSA-N 2 2 350.467 0.048 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[NH+]3CCCC3)c2)CC1 ZINC000172304309 488832757 /nfs/dbraw/zinc/83/27/57/488832757.db2.gz PDZSGLRTVMLXPF-UHFFFAOYSA-N 2 2 373.501 0.585 20 0 FCADLP CNC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172697509 488836648 /nfs/dbraw/zinc/83/66/48/488836648.db2.gz YZQHMSQEXIFCHB-KRWDZBQOSA-N 2 2 360.458 0.069 20 0 FCADLP COCCOC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000173732140 488845069 /nfs/dbraw/zinc/84/50/69/488845069.db2.gz PSUYLQKMUGSOLG-QGZVFWFLSA-N 2 2 365.474 0.909 20 0 FCADLP COCCOC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000173732140 488845070 /nfs/dbraw/zinc/84/50/70/488845070.db2.gz PSUYLQKMUGSOLG-QGZVFWFLSA-N 2 2 365.474 0.909 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000173905932 488846162 /nfs/dbraw/zinc/84/61/62/488846162.db2.gz BWJNGOZRRPYPDC-QGZVFWFLSA-N 3 2 355.527 0.376 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000173905932 488846163 /nfs/dbraw/zinc/84/61/63/488846163.db2.gz BWJNGOZRRPYPDC-QGZVFWFLSA-N 3 2 355.527 0.376 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000174246530 488848198 /nfs/dbraw/zinc/84/81/98/488848198.db2.gz ZFVSEKITHWFQFN-KRWDZBQOSA-N 2 2 355.527 0.375 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000174362530 488849006 /nfs/dbraw/zinc/84/90/06/488849006.db2.gz RRAJODOVUYOPED-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000174501652 488849581 /nfs/dbraw/zinc/84/95/81/488849581.db2.gz MVMWYPOFLKXGFD-RHSMWYFYSA-N 2 2 353.467 0.210 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000174691935 488850575 /nfs/dbraw/zinc/85/05/75/488850575.db2.gz ZLFKQQFWGXVIIN-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000174691935 488850576 /nfs/dbraw/zinc/85/05/76/488850576.db2.gz ZLFKQQFWGXVIIN-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000174806319 488851404 /nfs/dbraw/zinc/85/14/04/488851404.db2.gz ZYEVPGHCAFPQMU-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000174806319 488851405 /nfs/dbraw/zinc/85/14/05/488851405.db2.gz ZYEVPGHCAFPQMU-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000176598438 488858565 /nfs/dbraw/zinc/85/85/65/488858565.db2.gz WECKHFGXKPKJIW-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC(C)(C)[NH3+])CC2)cc1 ZINC000178787850 488860592 /nfs/dbraw/zinc/86/05/92/488860592.db2.gz XUYZHCSJTFOZCL-UHFFFAOYSA-N 2 2 362.474 0.697 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962385 488862855 /nfs/dbraw/zinc/86/28/55/488862855.db2.gz DADRSYUXGZWUCJ-OAHLLOKOSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962385 488862856 /nfs/dbraw/zinc/86/28/56/488862856.db2.gz DADRSYUXGZWUCJ-OAHLLOKOSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180962385 488862857 /nfs/dbraw/zinc/86/28/57/488862857.db2.gz DADRSYUXGZWUCJ-OAHLLOKOSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180962385 488862858 /nfs/dbraw/zinc/86/28/58/488862858.db2.gz DADRSYUXGZWUCJ-OAHLLOKOSA-N 2 2 367.538 0.057 20 0 FCADLP [NH3+]CCc1nc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cs1 ZINC000279883971 488973783 /nfs/dbraw/zinc/97/37/83/488973783.db2.gz GQZFPSCSGSDFJN-UHFFFAOYSA-N 2 2 350.448 0.425 20 0 FCADLP CC1(C)C[S@@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329164714 488976262 /nfs/dbraw/zinc/97/62/62/488976262.db2.gz GXYIRCKXLGCNEY-VWLOTQADSA-N 2 2 364.515 0.963 20 0 FCADLP CC1(C)C[S@@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329164714 488976264 /nfs/dbraw/zinc/97/62/64/488976264.db2.gz GXYIRCKXLGCNEY-VWLOTQADSA-N 2 2 364.515 0.963 20 0 FCADLP CC(=O)Nc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000279980572 488977928 /nfs/dbraw/zinc/97/79/28/488977928.db2.gz JRVZAYPTYKXNEQ-UHFFFAOYSA-N 2 2 362.478 0.865 20 0 FCADLP CC[C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329354522 488996850 /nfs/dbraw/zinc/99/68/50/488996850.db2.gz VKTHACOMPCSAGO-IRXDYDNUSA-N 2 2 374.551 0.301 20 0 FCADLP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329467068 489007257 /nfs/dbraw/zinc/00/72/57/489007257.db2.gz WIDVQOXCQLQNRH-QGZVFWFLSA-N 2 2 368.441 0.646 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329806095 489037533 /nfs/dbraw/zinc/03/75/33/489037533.db2.gz AXEROOYPTZDHDF-HUUCEWRRSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329806095 489037536 /nfs/dbraw/zinc/03/75/36/489037536.db2.gz AXEROOYPTZDHDF-HUUCEWRRSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100970 489038480 /nfs/dbraw/zinc/03/84/80/489038480.db2.gz RJHRFDLTFZDALO-SJLPKXTDSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100970 489038484 /nfs/dbraw/zinc/03/84/84/489038484.db2.gz RJHRFDLTFZDALO-SJLPKXTDSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100970 489038487 /nfs/dbraw/zinc/03/84/87/489038487.db2.gz RJHRFDLTFZDALO-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100970 489038489 /nfs/dbraw/zinc/03/84/89/489038489.db2.gz RJHRFDLTFZDALO-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000289075144 489040177 /nfs/dbraw/zinc/04/01/77/489040177.db2.gz OBWXLJVAHHQMNW-TXCZRRACSA-N 2 2 359.474 0.892 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000365258983 489054705 /nfs/dbraw/zinc/05/47/05/489054705.db2.gz IRRMRPNKQAOJON-ULQDDVLXSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000365258983 489054708 /nfs/dbraw/zinc/05/47/08/489054708.db2.gz IRRMRPNKQAOJON-ULQDDVLXSA-N 3 2 367.538 0.563 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(C(N)=O)c3)C2)CC1 ZINC000365260327 489055127 /nfs/dbraw/zinc/05/51/27/489055127.db2.gz QHEYJJBLWYIRPM-MRXNPFEDSA-N 2 2 359.474 0.753 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(C(N)=O)c3)C2)CC1 ZINC000365260327 489055132 /nfs/dbraw/zinc/05/51/32/489055132.db2.gz QHEYJJBLWYIRPM-MRXNPFEDSA-N 2 2 359.474 0.753 20 0 FCADLP Cc1ccnc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000329982419 489058198 /nfs/dbraw/zinc/05/81/98/489058198.db2.gz OVYIDRSWRPWIHR-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)O1 ZINC000330074206 489066496 /nfs/dbraw/zinc/06/64/96/489066496.db2.gz FOBQWMPCKWPBII-NVXWUHKLSA-N 2 2 366.506 0.251 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000281330228 489067572 /nfs/dbraw/zinc/06/75/72/489067572.db2.gz CLDUCDJQFVERJT-OTWHNJEPSA-N 2 2 374.485 0.612 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000281330228 489067573 /nfs/dbraw/zinc/06/75/73/489067573.db2.gz CLDUCDJQFVERJT-OTWHNJEPSA-N 2 2 374.485 0.612 20 0 FCADLP C[NH+]1CCO[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000281330228 489067576 /nfs/dbraw/zinc/06/75/76/489067576.db2.gz CLDUCDJQFVERJT-OTWHNJEPSA-N 2 2 374.485 0.612 20 0 FCADLP C[NH+]1CCO[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000281330228 489067580 /nfs/dbraw/zinc/06/75/80/489067580.db2.gz CLDUCDJQFVERJT-OTWHNJEPSA-N 2 2 374.485 0.612 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000330304401 489089496 /nfs/dbraw/zinc/08/94/96/489089496.db2.gz PYTZHEIMUQFGGK-UHFFFAOYSA-N 2 2 368.445 0.919 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)CC2)cc1 ZINC000289755016 489090789 /nfs/dbraw/zinc/09/07/89/489090789.db2.gz KJAOITZYLODHAN-MRXNPFEDSA-N 2 2 365.474 0.015 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](CCO)C[C@@H](C)O)CC2)cc1 ZINC000289755016 489090794 /nfs/dbraw/zinc/09/07/94/489090794.db2.gz KJAOITZYLODHAN-MRXNPFEDSA-N 2 2 365.474 0.015 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000290067492 489111268 /nfs/dbraw/zinc/11/12/68/489111268.db2.gz VWBFADYYMNVTPU-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000290067492 489111270 /nfs/dbraw/zinc/11/12/70/489111270.db2.gz VWBFADYYMNVTPU-HZPDHXFCSA-N 2 2 374.489 0.350 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000290102348 489114921 /nfs/dbraw/zinc/11/49/21/489114921.db2.gz XTUNUJXEIPRLRM-HZPDHXFCSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCC[NH2+]C1 ZINC000290102348 489114923 /nfs/dbraw/zinc/11/49/23/489114923.db2.gz XTUNUJXEIPRLRM-HZPDHXFCSA-N 2 2 374.489 0.398 20 0 FCADLP CCOC1CC(CNC(=O)NCC2=CC[N@H+](C)CC2)([NH+]2CCOCC2)C1 ZINC000365833139 489118219 /nfs/dbraw/zinc/11/82/19/489118219.db2.gz PHACDMVITQOTJR-UHFFFAOYSA-N 2 2 366.506 0.817 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290288301 489128137 /nfs/dbraw/zinc/12/81/37/489128137.db2.gz BHFWFSDEWVWEBV-IRXDYDNUSA-N 2 2 373.501 0.967 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290288301 489128138 /nfs/dbraw/zinc/12/81/38/489128138.db2.gz BHFWFSDEWVWEBV-IRXDYDNUSA-N 2 2 373.501 0.967 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000290320854 489131071 /nfs/dbraw/zinc/13/10/71/489131071.db2.gz DKCFXYZFLHOABZ-IAGOWNOFSA-N 2 2 371.485 0.863 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290361991 489134007 /nfs/dbraw/zinc/13/40/07/489134007.db2.gz GOXZLPRIOUCUIO-HNNXBMFYSA-N 2 2 359.474 0.719 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401933 489137017 /nfs/dbraw/zinc/13/70/17/489137017.db2.gz IRWJBWHFEUIGOG-DOTOQJQBSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401933 489137020 /nfs/dbraw/zinc/13/70/20/489137020.db2.gz IRWJBWHFEUIGOG-DOTOQJQBSA-N 2 2 371.485 0.910 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290471295 489143221 /nfs/dbraw/zinc/14/32/21/489143221.db2.gz LTFSLKZYMMWOOK-DOTOQJQBSA-N 2 2 373.501 0.965 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024273 491235626 /nfs/dbraw/zinc/23/56/26/491235626.db2.gz HRFQSMHCJGMWDR-GDBMZVCRSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024273 491235628 /nfs/dbraw/zinc/23/56/28/491235628.db2.gz HRFQSMHCJGMWDR-GDBMZVCRSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024273 491235629 /nfs/dbraw/zinc/23/56/29/491235629.db2.gz HRFQSMHCJGMWDR-GDBMZVCRSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024273 491235630 /nfs/dbraw/zinc/23/56/30/491235630.db2.gz HRFQSMHCJGMWDR-GDBMZVCRSA-N 2 2 365.478 0.320 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290599097 489152028 /nfs/dbraw/zinc/15/20/28/489152028.db2.gz REULOLVPWNCYSU-INIZCTEOSA-N 2 2 359.474 0.766 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000290608707 489152803 /nfs/dbraw/zinc/15/28/03/489152803.db2.gz RQYXZQGECSULIW-BZUAXINKSA-N 2 2 357.458 0.329 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000290608707 489152805 /nfs/dbraw/zinc/15/28/05/489152805.db2.gz RQYXZQGECSULIW-BZUAXINKSA-N 2 2 357.458 0.329 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000563309860 491236334 /nfs/dbraw/zinc/23/63/34/491236334.db2.gz NAMKRINELYRFBK-MRXNPFEDSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000563309860 491236335 /nfs/dbraw/zinc/23/63/35/491236335.db2.gz NAMKRINELYRFBK-MRXNPFEDSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280055 489165819 /nfs/dbraw/zinc/16/58/19/489165819.db2.gz LOKDEACCCIKQMB-RDJZCZTQSA-N 2 2 353.511 0.032 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280055 489165821 /nfs/dbraw/zinc/16/58/21/489165821.db2.gz LOKDEACCCIKQMB-RDJZCZTQSA-N 2 2 353.511 0.032 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280053 489165882 /nfs/dbraw/zinc/16/58/82/489165882.db2.gz LOKDEACCCIKQMB-DOTOQJQBSA-N 2 2 353.511 0.032 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280053 489165884 /nfs/dbraw/zinc/16/58/84/489165884.db2.gz LOKDEACCCIKQMB-DOTOQJQBSA-N 2 2 353.511 0.032 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000290854603 489169267 /nfs/dbraw/zinc/16/92/67/489169267.db2.gz AVLCMNVBXGPBJT-UHFFFAOYSA-N 2 2 370.457 0.900 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000366376793 489175291 /nfs/dbraw/zinc/17/52/91/489175291.db2.gz HVEDZNRQBXNVEI-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000366376793 489175293 /nfs/dbraw/zinc/17/52/93/489175293.db2.gz HVEDZNRQBXNVEI-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000366379790 489175360 /nfs/dbraw/zinc/17/53/60/489175360.db2.gz RHNLKVKVQZQMHR-INIZCTEOSA-N 2 2 363.462 0.296 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366379790 489175363 /nfs/dbraw/zinc/17/53/63/489175363.db2.gz RHNLKVKVQZQMHR-INIZCTEOSA-N 2 2 363.462 0.296 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1(C)C ZINC000282592196 489177306 /nfs/dbraw/zinc/17/73/06/489177306.db2.gz FJMSQMWMUKBBOB-MRXNPFEDSA-N 2 2 360.506 0.986 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1(C)C ZINC000282592196 489177310 /nfs/dbraw/zinc/17/73/10/489177310.db2.gz FJMSQMWMUKBBOB-MRXNPFEDSA-N 2 2 360.506 0.986 20 0 FCADLP COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366426530 489180984 /nfs/dbraw/zinc/18/09/84/489180984.db2.gz ZMOAFZSIFDXWBP-WBVHZDCISA-N 2 2 353.463 0.051 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000331183400 489182718 /nfs/dbraw/zinc/18/27/18/489182718.db2.gz HXBGIOOBJDRRFU-LSDHHAIUSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000331183400 489182721 /nfs/dbraw/zinc/18/27/21/489182721.db2.gz HXBGIOOBJDRRFU-LSDHHAIUSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579430 489196891 /nfs/dbraw/zinc/19/68/91/489196891.db2.gz AICXDKWFFOKGMG-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366579430 489196895 /nfs/dbraw/zinc/19/68/95/489196895.db2.gz AICXDKWFFOKGMG-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579430 489196899 /nfs/dbraw/zinc/19/68/99/489196899.db2.gz AICXDKWFFOKGMG-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366579430 489196901 /nfs/dbraw/zinc/19/69/01/489196901.db2.gz AICXDKWFFOKGMG-NVXWUHKLSA-N 2 2 353.511 0.175 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000297570827 489210362 /nfs/dbraw/zinc/21/03/62/489210362.db2.gz REZAYPGFEIFXDQ-UHFFFAOYSA-N 2 2 360.458 0.924 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438386 489211174 /nfs/dbraw/zinc/21/11/74/489211174.db2.gz XBAPVIMNVCHSCA-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438386 489211178 /nfs/dbraw/zinc/21/11/78/489211178.db2.gz XBAPVIMNVCHSCA-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438386 489211179 /nfs/dbraw/zinc/21/11/79/489211179.db2.gz XBAPVIMNVCHSCA-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438386 489211183 /nfs/dbraw/zinc/21/11/83/489211183.db2.gz XBAPVIMNVCHSCA-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[C@@](C)([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(N)=O ZINC000297598734 489212752 /nfs/dbraw/zinc/21/27/52/489212752.db2.gz JSZYBHWQOMXTML-QGZVFWFLSA-N 2 2 352.504 0.882 20 0 FCADLP Cc1cccnc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331451160 489213280 /nfs/dbraw/zinc/21/32/80/489213280.db2.gz CTTSKSAGVAGFAV-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC([NH+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000563365558 491239754 /nfs/dbraw/zinc/23/97/54/491239754.db2.gz ULELSNYHMFLCSI-VXIBKDFQSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCC([NH+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000563365558 491239757 /nfs/dbraw/zinc/23/97/57/491239757.db2.gz ULELSNYHMFLCSI-VXIBKDFQSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000563365558 491239760 /nfs/dbraw/zinc/23/97/60/491239760.db2.gz ULELSNYHMFLCSI-VXIBKDFQSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@H+]3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000563365558 491239764 /nfs/dbraw/zinc/23/97/64/491239764.db2.gz ULELSNYHMFLCSI-VXIBKDFQSA-N 2 2 355.523 0.642 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000332563652 489220458 /nfs/dbraw/zinc/22/04/58/489220458.db2.gz WGAPZBWXEBBCGO-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CC(C)C1 ZINC000563376967 491240235 /nfs/dbraw/zinc/24/02/35/491240235.db2.gz QTTSDKDDACEDGH-INIZCTEOSA-N 2 2 350.507 0.729 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000297697618 489226119 /nfs/dbraw/zinc/22/61/19/489226119.db2.gz BRIITQCODQIZCX-MRXNPFEDSA-N 2 2 355.442 0.203 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332780537 489229256 /nfs/dbraw/zinc/22/92/56/489229256.db2.gz SUPWMMDGPUVARA-IAGOWNOFSA-N 2 2 365.522 0.759 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000283227597 489229937 /nfs/dbraw/zinc/22/99/37/489229937.db2.gz AEKMMMPRCKDDTQ-INIZCTEOSA-N 2 2 373.457 0.806 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283232341 489230489 /nfs/dbraw/zinc/23/04/89/489230489.db2.gz CEAAPZZWBGAPQB-UHFFFAOYSA-N 2 2 357.414 0.773 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000332798412 489232323 /nfs/dbraw/zinc/23/23/23/489232323.db2.gz NULVWDBECQNLDX-QFBILLFUSA-N 2 2 368.522 0.992 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000332798412 489232324 /nfs/dbraw/zinc/23/23/24/489232324.db2.gz NULVWDBECQNLDX-QFBILLFUSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000283253848 489234265 /nfs/dbraw/zinc/23/42/65/489234265.db2.gz MCEHMJZOHNVLIE-DOTOQJQBSA-N 2 2 359.474 0.865 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000283253848 489234269 /nfs/dbraw/zinc/23/42/69/489234269.db2.gz MCEHMJZOHNVLIE-DOTOQJQBSA-N 2 2 359.474 0.865 20 0 FCADLP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283260564 489234615 /nfs/dbraw/zinc/23/46/15/489234615.db2.gz FDYPVLVUMSXPEC-UHFFFAOYSA-N 2 2 359.430 0.256 20 0 FCADLP CCOc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1O ZINC000297757371 489236183 /nfs/dbraw/zinc/23/61/83/489236183.db2.gz UTPOVEXUHGJSSN-MRXNPFEDSA-N 2 2 363.458 0.814 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000283294064 489240727 /nfs/dbraw/zinc/24/07/27/489240727.db2.gz HOISZXMVBBLBRK-KRWDZBQOSA-N 2 2 371.441 0.017 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000283294064 489240731 /nfs/dbraw/zinc/24/07/31/489240731.db2.gz HOISZXMVBBLBRK-KRWDZBQOSA-N 2 2 371.441 0.017 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369462974 489241011 /nfs/dbraw/zinc/24/10/11/489241011.db2.gz NCGUHZRTZMHYFU-IAGOWNOFSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369462974 489241013 /nfs/dbraw/zinc/24/10/13/489241013.db2.gz NCGUHZRTZMHYFU-IAGOWNOFSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000332898191 489244228 /nfs/dbraw/zinc/24/42/28/489244228.db2.gz YVLNPCQAIZJDQR-GJZGRUSLSA-N 2 2 363.506 0.631 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000332898191 489244230 /nfs/dbraw/zinc/24/42/30/489244230.db2.gz YVLNPCQAIZJDQR-GJZGRUSLSA-N 2 2 363.506 0.631 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000332965881 489251499 /nfs/dbraw/zinc/25/14/99/489251499.db2.gz CZUHVENYMYFZMG-HKUYNNGSSA-N 2 2 351.491 0.999 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@]2(CCOC2)O1 ZINC000332965881 489251502 /nfs/dbraw/zinc/25/15/02/489251502.db2.gz CZUHVENYMYFZMG-HKUYNNGSSA-N 2 2 351.491 0.999 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000283412349 489255963 /nfs/dbraw/zinc/25/59/63/489255963.db2.gz YWLOKQHSXHQZQT-MRXNPFEDSA-N 2 2 365.478 0.349 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000283412349 489255965 /nfs/dbraw/zinc/25/59/65/489255965.db2.gz YWLOKQHSXHQZQT-MRXNPFEDSA-N 2 2 365.478 0.349 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[NH+](CC2CC2)CC1 ZINC000333513304 489261736 /nfs/dbraw/zinc/26/17/36/489261736.db2.gz YDFWQPBLSZBNHG-UHFFFAOYSA-N 2 2 362.478 0.775 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000563406435 491242747 /nfs/dbraw/zinc/24/27/47/491242747.db2.gz JLRDQQHYJXUIDR-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000563406435 491242748 /nfs/dbraw/zinc/24/27/48/491242748.db2.gz JLRDQQHYJXUIDR-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297989972 489274494 /nfs/dbraw/zinc/27/44/94/489274494.db2.gz XWAFEUBBCGZTAX-UHFFFAOYSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283568229 489276071 /nfs/dbraw/zinc/27/60/71/489276071.db2.gz UESGMCVCPDTBFS-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283568229 489276074 /nfs/dbraw/zinc/27/60/74/489276074.db2.gz UESGMCVCPDTBFS-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCC[NH+]1CCOCC1 ZINC000369826143 489280102 /nfs/dbraw/zinc/28/01/02/489280102.db2.gz QCHBITYKPGCDJP-SFHVURJKSA-N 2 2 357.458 0.838 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000298096618 489290140 /nfs/dbraw/zinc/29/01/40/489290140.db2.gz NNADBDHVYNRZFE-UHFFFAOYSA-N 2 2 362.474 0.359 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563439397 491246556 /nfs/dbraw/zinc/24/65/56/491246556.db2.gz FZPQLJPWAIMHQV-KFNAQCHYSA-N 2 2 366.412 0.728 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563439397 491246560 /nfs/dbraw/zinc/24/65/60/491246560.db2.gz FZPQLJPWAIMHQV-KFNAQCHYSA-N 2 2 366.412 0.728 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](CC(N)=O)C3)C2)CC1 ZINC000369978617 489299584 /nfs/dbraw/zinc/29/95/84/489299584.db2.gz AANIPLQKRPGRFJ-CABCVRRESA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](CC(N)=O)C3)C2)CC1 ZINC000369978617 489299585 /nfs/dbraw/zinc/29/95/85/489299585.db2.gz AANIPLQKRPGRFJ-CABCVRRESA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CC(N)=O)C3)C2)CC1 ZINC000369978619 489299781 /nfs/dbraw/zinc/29/97/81/489299781.db2.gz AANIPLQKRPGRFJ-HUUCEWRRSA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CC(N)=O)C3)C2)CC1 ZINC000369978619 489299784 /nfs/dbraw/zinc/29/97/84/489299784.db2.gz AANIPLQKRPGRFJ-HUUCEWRRSA-N 2 2 351.495 0.452 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000284881558 489315862 /nfs/dbraw/zinc/31/58/62/489315862.db2.gz GPSVSRHMFUFSMW-UHFFFAOYSA-N 2 2 364.515 0.777 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC1 ZINC000284881558 489315866 /nfs/dbraw/zinc/31/58/66/489315866.db2.gz GPSVSRHMFUFSMW-UHFFFAOYSA-N 2 2 364.515 0.777 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000284881558 489315870 /nfs/dbraw/zinc/31/58/70/489315870.db2.gz GPSVSRHMFUFSMW-UHFFFAOYSA-N 2 2 364.515 0.777 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000284881558 489315873 /nfs/dbraw/zinc/31/58/73/489315873.db2.gz GPSVSRHMFUFSMW-UHFFFAOYSA-N 2 2 364.515 0.777 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000370119463 489317209 /nfs/dbraw/zinc/31/72/09/489317209.db2.gz IFLSIXXPPRXHAP-OKILXGFUSA-N 2 2 365.478 0.679 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000370119463 489317210 /nfs/dbraw/zinc/31/72/10/489317210.db2.gz IFLSIXXPPRXHAP-OKILXGFUSA-N 2 2 365.478 0.679 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000285953993 489337909 /nfs/dbraw/zinc/33/79/09/489337909.db2.gz QJDQVIHSJMSDAL-CQSZACIVSA-N 2 2 363.462 0.019 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000285953993 489337911 /nfs/dbraw/zinc/33/79/11/489337911.db2.gz QJDQVIHSJMSDAL-CQSZACIVSA-N 2 2 363.462 0.019 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000285986200 489342002 /nfs/dbraw/zinc/34/20/02/489342002.db2.gz OMCIKLLSGMOUGM-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000285986200 489342005 /nfs/dbraw/zinc/34/20/05/489342005.db2.gz OMCIKLLSGMOUGM-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000285986200 489342007 /nfs/dbraw/zinc/34/20/07/489342007.db2.gz OMCIKLLSGMOUGM-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000285986200 489342010 /nfs/dbraw/zinc/34/20/10/489342010.db2.gz OMCIKLLSGMOUGM-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000298722981 489356758 /nfs/dbraw/zinc/35/67/58/489356758.db2.gz PBIFVRKVJSEGEW-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298743324 489359308 /nfs/dbraw/zinc/35/93/08/489359308.db2.gz RCHRRBPXXGWYIZ-UHFFFAOYSA-N 2 2 351.451 0.032 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298743324 489359311 /nfs/dbraw/zinc/35/93/11/489359311.db2.gz RCHRRBPXXGWYIZ-UHFFFAOYSA-N 2 2 351.451 0.032 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286152011 489362258 /nfs/dbraw/zinc/36/22/58/489362258.db2.gz VYVWVXOAQQQITL-FUHWJXTLSA-N 2 2 373.501 0.723 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286152011 489362262 /nfs/dbraw/zinc/36/22/62/489362262.db2.gz VYVWVXOAQQQITL-FUHWJXTLSA-N 2 2 373.501 0.723 20 0 FCADLP COC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532288 489371817 /nfs/dbraw/zinc/37/18/17/489371817.db2.gz YBPKYLZETBXWGT-KSSFIOAISA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532288 489371818 /nfs/dbraw/zinc/37/18/18/489371818.db2.gz YBPKYLZETBXWGT-KSSFIOAISA-N 2 2 352.479 0.750 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCSCC1 ZINC000362137870 489376675 /nfs/dbraw/zinc/37/66/75/489376675.db2.gz QRAFVBOKZIZGEF-HNNXBMFYSA-N 2 2 368.547 0.436 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370603018 489380782 /nfs/dbraw/zinc/38/07/82/489380782.db2.gz ISYNSBLZHDSYDD-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP CN(C)S(=O)(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000286477059 489394962 /nfs/dbraw/zinc/39/49/62/489394962.db2.gz PQTHNKFERVRBFZ-UHFFFAOYSA-N 2 2 368.547 0.627 20 0 FCADLP CN(C)S(=O)(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000286477059 489394965 /nfs/dbraw/zinc/39/49/65/489394965.db2.gz PQTHNKFERVRBFZ-UHFFFAOYSA-N 2 2 368.547 0.627 20 0 FCADLP COCC[C@]1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000370773738 489399707 /nfs/dbraw/zinc/39/97/07/489399707.db2.gz PEXXBKVBRKTPPX-VQIMIIECSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCCn1cc[nH+]c1 ZINC000362850192 489402121 /nfs/dbraw/zinc/40/21/21/489402121.db2.gz GTJXEUGXYOVXAM-INIZCTEOSA-N 2 2 367.413 0.722 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000362921086 489405502 /nfs/dbraw/zinc/40/55/02/489405502.db2.gz YEJMYBAJPFLWSF-QGZVFWFLSA-N 2 2 354.495 0.143 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000362921086 489405504 /nfs/dbraw/zinc/40/55/04/489405504.db2.gz YEJMYBAJPFLWSF-QGZVFWFLSA-N 2 2 354.495 0.143 20 0 FCADLP CC[C@@H](C)NC(=O)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362952055 489407887 /nfs/dbraw/zinc/40/78/87/489407887.db2.gz LTJRUOXNPCGYQJ-CABCVRRESA-N 2 2 353.511 0.759 20 0 FCADLP CC[C@@H](C)NC(=O)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362952055 489407891 /nfs/dbraw/zinc/40/78/91/489407891.db2.gz LTJRUOXNPCGYQJ-CABCVRRESA-N 2 2 353.511 0.759 20 0 FCADLP COC(=O)CSCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362965578 489408570 /nfs/dbraw/zinc/40/85/70/489408570.db2.gz YNKNRTUYZDFSLF-UHFFFAOYSA-N 2 2 357.520 0.958 20 0 FCADLP CN(C(=O)Cc1nc2ncccn2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840665 489410226 /nfs/dbraw/zinc/41/02/26/489410226.db2.gz KTKXXMCAUWVQDP-OAHLLOKOSA-N 2 2 357.462 0.294 20 0 FCADLP CN(C(=O)Cc1nc2ncccn2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840665 489410229 /nfs/dbraw/zinc/41/02/29/489410229.db2.gz KTKXXMCAUWVQDP-OAHLLOKOSA-N 2 2 357.462 0.294 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[NH+](C)C ZINC000299179738 489414448 /nfs/dbraw/zinc/41/44/48/489414448.db2.gz ULOKDWREOVJOHW-OAHLLOKOSA-N 2 2 361.490 0.439 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000286753742 489424773 /nfs/dbraw/zinc/42/47/73/489424773.db2.gz RSOBWWGNHIKPKR-UHFFFAOYSA-N 2 2 355.442 0.423 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000287024448 489452942 /nfs/dbraw/zinc/45/29/42/489452942.db2.gz DQJSRVPGCOMHND-CVEARBPZSA-N 2 2 359.474 0.719 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000371111268 489452970 /nfs/dbraw/zinc/45/29/70/489452970.db2.gz VKFXQCSRJHLAOF-UHFFFAOYSA-N 2 2 354.418 1.347 20 0 FCADLP CC[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555558900 491254874 /nfs/dbraw/zinc/25/48/74/491254874.db2.gz ASMGKWRYFMDIKA-MSOLQXFVSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000555558900 491254877 /nfs/dbraw/zinc/25/48/77/491254877.db2.gz ASMGKWRYFMDIKA-MSOLQXFVSA-N 2 2 354.539 0.972 20 0 FCADLP CCN(CC)S(=O)(=O)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363350294 489456061 /nfs/dbraw/zinc/45/60/61/489456061.db2.gz WNXOCVDHDXSFNY-MRXNPFEDSA-N 2 2 374.551 0.285 20 0 FCADLP CC[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000555558900 491254880 /nfs/dbraw/zinc/25/48/80/491254880.db2.gz ASMGKWRYFMDIKA-MSOLQXFVSA-N 2 2 354.539 0.972 20 0 FCADLP CC[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000555558900 491254882 /nfs/dbraw/zinc/25/48/82/491254882.db2.gz ASMGKWRYFMDIKA-MSOLQXFVSA-N 2 2 354.539 0.972 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363373391 489459536 /nfs/dbraw/zinc/45/95/36/489459536.db2.gz OGOKTHPJHJBDGT-BQFCYCMXSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363373391 489459539 /nfs/dbraw/zinc/45/95/39/489459539.db2.gz OGOKTHPJHJBDGT-BQFCYCMXSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[NH+](CC2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000363386651 489460716 /nfs/dbraw/zinc/46/07/16/489460716.db2.gz SKCUKCPEOZZNIM-IAGOWNOFSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)n1C ZINC000287107621 489461934 /nfs/dbraw/zinc/46/19/34/489461934.db2.gz WHUKOWLMDXHUOI-CQSZACIVSA-N 2 2 362.478 0.235 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1C ZINC000287107621 489461936 /nfs/dbraw/zinc/46/19/36/489461936.db2.gz WHUKOWLMDXHUOI-CQSZACIVSA-N 2 2 362.478 0.235 20 0 FCADLP CN(CCC[NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000563563240 491255291 /nfs/dbraw/zinc/25/52/91/491255291.db2.gz UTYGBTVYGSKNLE-UHFFFAOYSA-N 2 2 350.463 0.888 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000299641053 489466213 /nfs/dbraw/zinc/46/62/13/489466213.db2.gz KNNHPRDCJYZLNW-UHFFFAOYSA-N 2 2 362.356 0.320 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371221855 489468392 /nfs/dbraw/zinc/46/83/92/489468392.db2.gz ZDCXXENXEOGYDL-GOSISDBHSA-N 2 2 358.486 0.729 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371221855 489468396 /nfs/dbraw/zinc/46/83/96/489468396.db2.gz ZDCXXENXEOGYDL-GOSISDBHSA-N 2 2 358.486 0.729 20 0 FCADLP CCCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[NH2+]C1 ZINC000563578773 491255716 /nfs/dbraw/zinc/25/57/16/491255716.db2.gz JOAVQCJTDMRWAN-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296459 489474713 /nfs/dbraw/zinc/47/47/13/489474713.db2.gz ZNJYHHHSKMIGEM-KBMXLJTQSA-N 2 2 364.446 0.789 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296459 489474716 /nfs/dbraw/zinc/47/47/16/489474716.db2.gz ZNJYHHHSKMIGEM-KBMXLJTQSA-N 2 2 364.446 0.789 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371340047 489478102 /nfs/dbraw/zinc/47/81/02/489478102.db2.gz AQWBPFPPGPHCOV-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000287347559 489479087 /nfs/dbraw/zinc/47/90/87/489479087.db2.gz XYOAZSNGLHRIFE-AWEZNQCLSA-N 2 2 352.504 0.814 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000287347559 489479089 /nfs/dbraw/zinc/47/90/89/489479089.db2.gz XYOAZSNGLHRIFE-AWEZNQCLSA-N 2 2 352.504 0.814 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580174 489480913 /nfs/dbraw/zinc/48/09/13/489480913.db2.gz LKXASJZRSLWVRM-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580174 489480914 /nfs/dbraw/zinc/48/09/14/489480914.db2.gz LKXASJZRSLWVRM-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580174 489480917 /nfs/dbraw/zinc/48/09/17/489480917.db2.gz LKXASJZRSLWVRM-HOTGVXAUSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580174 489480920 /nfs/dbraw/zinc/48/09/20/489480920.db2.gz LKXASJZRSLWVRM-HOTGVXAUSA-N 2 2 353.511 0.175 20 0 FCADLP Cc1oc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363617438 489483794 /nfs/dbraw/zinc/48/37/94/489483794.db2.gz TVVWSJAWGXWNAX-LBPRGKRZSA-N 2 2 370.475 0.134 20 0 FCADLP Cc1oc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(N)(=O)=O ZINC000363617438 489483796 /nfs/dbraw/zinc/48/37/96/489483796.db2.gz TVVWSJAWGXWNAX-LBPRGKRZSA-N 2 2 370.475 0.134 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000414587570 489505826 /nfs/dbraw/zinc/50/58/26/489505826.db2.gz MQCDGAIXIDTWKK-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000414587570 489505829 /nfs/dbraw/zinc/50/58/29/489505829.db2.gz MQCDGAIXIDTWKK-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000414590890 489506631 /nfs/dbraw/zinc/50/66/31/489506631.db2.gz ARERHJCMDYLVBU-HZPDHXFCSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000414590890 489506633 /nfs/dbraw/zinc/50/66/33/489506633.db2.gz ARERHJCMDYLVBU-HZPDHXFCSA-N 2 2 368.522 0.090 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)s1 ZINC000423250649 489506999 /nfs/dbraw/zinc/50/69/99/489506999.db2.gz QPFAZHLCHARSKK-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423258249 489507719 /nfs/dbraw/zinc/50/77/19/489507719.db2.gz LVRWQOPAVUKYJR-MRXNPFEDSA-N 2 2 362.474 0.153 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)s1 ZINC000423254076 489507926 /nfs/dbraw/zinc/50/79/26/489507926.db2.gz WYEYWHFJGVCRGI-CQSZACIVSA-N 2 2 364.515 0.904 20 0 FCADLP Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000414702868 489511028 /nfs/dbraw/zinc/51/10/28/489511028.db2.gz LAXLZVZSRCNRRJ-UHFFFAOYSA-N 2 2 353.426 1.167 20 0 FCADLP Nc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000414702868 489511032 /nfs/dbraw/zinc/51/10/32/489511032.db2.gz LAXLZVZSRCNRRJ-UHFFFAOYSA-N 2 2 353.426 1.167 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414783943 489511962 /nfs/dbraw/zinc/51/19/62/489511962.db2.gz HYBKQAPJSHXHLM-GJZGRUSLSA-N 2 2 374.489 0.619 20 0 FCADLP C[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]1C[NH3+] ZINC000415188367 489513420 /nfs/dbraw/zinc/51/34/20/489513420.db2.gz OBBCXIYVXKGPIO-CABCVRRESA-N 2 2 350.467 0.806 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000415308606 489514944 /nfs/dbraw/zinc/51/49/44/489514944.db2.gz ZCDQCWDXIWBAKT-YOEHRIQHSA-N 2 2 360.458 0.839 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000371831618 489515781 /nfs/dbraw/zinc/51/57/81/489515781.db2.gz ZMFOTKBMLRMXRV-HNNXBMFYSA-N 2 2 366.466 0.058 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000371831618 489515785 /nfs/dbraw/zinc/51/57/85/489515785.db2.gz ZMFOTKBMLRMXRV-HNNXBMFYSA-N 2 2 366.466 0.058 20 0 FCADLP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)Nc3nncs3)CC2)CC1 ZINC000371835862 489516433 /nfs/dbraw/zinc/51/64/33/489516433.db2.gz VWYODIPZMFQRCR-UHFFFAOYSA-N 2 2 352.508 0.826 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415380292 489516846 /nfs/dbraw/zinc/51/68/46/489516846.db2.gz PKOVHWUCVZFTNY-QGZVFWFLSA-N 2 2 359.474 0.241 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415417873 489518148 /nfs/dbraw/zinc/51/81/48/489518148.db2.gz WNBLGLNHZCGGHF-HNNXBMFYSA-N 2 2 361.490 0.344 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000415420233 489518929 /nfs/dbraw/zinc/51/89/29/489518929.db2.gz WEYSCXXBBKOVSP-HUUCEWRRSA-N 2 2 362.474 0.990 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563644605 491260419 /nfs/dbraw/zinc/26/04/19/491260419.db2.gz JGTICWGNSUQWDQ-KRWDZBQOSA-N 2 2 361.490 0.024 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528609 /nfs/dbraw/zinc/52/86/09/489528609.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528611 /nfs/dbraw/zinc/52/86/11/489528611.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528613 /nfs/dbraw/zinc/52/86/13/489528613.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528615 /nfs/dbraw/zinc/52/86/15/489528615.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528618 /nfs/dbraw/zinc/52/86/18/489528618.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528621 /nfs/dbraw/zinc/52/86/21/489528621.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528623 /nfs/dbraw/zinc/52/86/23/489528623.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@H]1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000451891082 489528625 /nfs/dbraw/zinc/52/86/25/489528625.db2.gz NVKYLJVIWDMTMX-PDFPEKILSA-N 3 2 368.566 0.150 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)[N@H+]1CCO ZINC000451890758 489528680 /nfs/dbraw/zinc/52/86/80/489528680.db2.gz QKXWPYLAFXCUKZ-GASCZTMLSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)[N@@H+]1CCO ZINC000451890758 489528682 /nfs/dbraw/zinc/52/86/82/489528682.db2.gz QKXWPYLAFXCUKZ-GASCZTMLSA-N 2 2 355.504 0.824 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000415561210 489530438 /nfs/dbraw/zinc/53/04/38/489530438.db2.gz OAVRFBSEFPVQCB-UHFFFAOYSA-N 2 2 373.501 0.760 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000415571195 489531737 /nfs/dbraw/zinc/53/17/37/489531737.db2.gz TWVDLGYZLBYVSY-GJZGRUSLSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415582253 489532824 /nfs/dbraw/zinc/53/28/24/489532824.db2.gz UECHGMFDJXAMET-NVXWUHKLSA-N 2 2 373.501 0.568 20 0 FCADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000372028797 489537828 /nfs/dbraw/zinc/53/78/28/489537828.db2.gz RXPGWMFPOHVNBL-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415641399 489538902 /nfs/dbraw/zinc/53/89/02/489538902.db2.gz GBQCSWMPYISCLZ-CVEARBPZSA-N 2 2 360.458 0.843 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000415644549 489539760 /nfs/dbraw/zinc/53/97/60/489539760.db2.gz KYLDQFHBSPLYHW-FUHWJXTLSA-N 2 2 373.501 0.759 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000570745449 491261753 /nfs/dbraw/zinc/26/17/53/491261753.db2.gz VYPRJYZVVNBLOB-AWEZNQCLSA-N 2 2 352.398 0.890 20 0 FCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415727210 489546826 /nfs/dbraw/zinc/54/68/26/489546826.db2.gz PIRCNMFSNFLRDE-QGZVFWFLSA-N 2 2 368.441 0.317 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000425907677 489546989 /nfs/dbraw/zinc/54/69/89/489546989.db2.gz DCHVPAAZJRAREM-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000425907677 489546991 /nfs/dbraw/zinc/54/69/91/489546991.db2.gz DCHVPAAZJRAREM-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000425942746 489550450 /nfs/dbraw/zinc/55/04/50/489550450.db2.gz GMAUTCKSOUXTOP-QGZVFWFLSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000425942746 489550453 /nfs/dbraw/zinc/55/04/53/489550453.db2.gz GMAUTCKSOUXTOP-QGZVFWFLSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984314 489551482 /nfs/dbraw/zinc/55/14/82/489551482.db2.gz HMDSIGINWIMXJE-CABCVRRESA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984314 489551485 /nfs/dbraw/zinc/55/14/85/489551485.db2.gz HMDSIGINWIMXJE-CABCVRRESA-N 2 2 353.511 0.698 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036066 489553619 /nfs/dbraw/zinc/55/36/19/489553619.db2.gz MANJOIAAQSAGEG-IAGOWNOFSA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036066 489553622 /nfs/dbraw/zinc/55/36/22/489553622.db2.gz MANJOIAAQSAGEG-IAGOWNOFSA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000426215568 489559802 /nfs/dbraw/zinc/55/98/02/489559802.db2.gz MIFCRQGRLPKLIA-UHFFFAOYSA-N 2 2 353.511 0.887 20 0 FCADLP CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224654 489560927 /nfs/dbraw/zinc/56/09/27/489560927.db2.gz ZUBPZPMSQTWVPY-GJZGRUSLSA-N 2 2 367.494 0.685 20 0 FCADLP CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000372224654 489560930 /nfs/dbraw/zinc/56/09/30/489560930.db2.gz ZUBPZPMSQTWVPY-GJZGRUSLSA-N 2 2 367.494 0.685 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000555656410 491262795 /nfs/dbraw/zinc/26/27/95/491262795.db2.gz RZLFBGJIKKENCD-CABCVRRESA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000555656410 491262797 /nfs/dbraw/zinc/26/27/97/491262797.db2.gz RZLFBGJIKKENCD-CABCVRRESA-N 2 2 350.463 0.797 20 0 FCADLP C[C@H]([C@H](C)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[NH+]1CCOCC1 ZINC000415958276 489565998 /nfs/dbraw/zinc/56/59/98/489565998.db2.gz WRGLIGQFRWAIIY-UONOGXRCSA-N 2 2 363.466 0.117 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000563692284 491263406 /nfs/dbraw/zinc/26/34/06/491263406.db2.gz SRYLDTALODWRRX-KRWDZBQOSA-N 2 2 365.522 0.762 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372397817 489581132 /nfs/dbraw/zinc/58/11/32/489581132.db2.gz ICFIZPZMQBBKGA-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP C[NH+]1CCC([NH2+]C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 ZINC000372419809 489582099 /nfs/dbraw/zinc/58/20/99/489582099.db2.gz DXWDCHJRLGEYQK-UHFFFAOYSA-N 2 2 367.471 0.515 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555669973 491264739 /nfs/dbraw/zinc/26/47/39/491264739.db2.gz AAYRPRSVDKLXRN-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP O=C(CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000372436082 489584420 /nfs/dbraw/zinc/58/44/20/489584420.db2.gz HMNQSQLHAWZOLO-HNAYVOBHSA-N 2 2 357.458 0.236 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000563714489 491264792 /nfs/dbraw/zinc/26/47/92/491264792.db2.gz JIWAYULHQDMHCL-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000563714489 491264793 /nfs/dbraw/zinc/26/47/93/491264793.db2.gz JIWAYULHQDMHCL-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCOCC1 ZINC000372575084 489602254 /nfs/dbraw/zinc/60/22/54/489602254.db2.gz VUQZHCKKYJPBJZ-IUVQAAGXSA-N 2 2 353.507 0.992 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@H]3CC[NH2+]C3)c2)CC1 ZINC000427313193 489602680 /nfs/dbraw/zinc/60/26/80/489602680.db2.gz LYCQSZQUDIXTSD-CQSZACIVSA-N 2 2 366.487 0.561 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc2)CC1 ZINC000456220754 489611186 /nfs/dbraw/zinc/61/11/86/489611186.db2.gz XJJQKOMZARBFPF-HSALFYBXSA-N 2 2 372.513 0.955 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc2)CC1 ZINC000456220754 489611189 /nfs/dbraw/zinc/61/11/89/489611189.db2.gz XJJQKOMZARBFPF-HSALFYBXSA-N 2 2 372.513 0.955 20 0 FCADLP C[C@@H](C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000427494868 489612014 /nfs/dbraw/zinc/61/20/14/489612014.db2.gz LNNVNXQVERFPGP-HNNXBMFYSA-N 2 2 369.506 0.972 20 0 FCADLP C[C@@H](C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000427494868 489612016 /nfs/dbraw/zinc/61/20/16/489612016.db2.gz LNNVNXQVERFPGP-HNNXBMFYSA-N 2 2 369.506 0.972 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1)N1CCCC1 ZINC000570817211 491266889 /nfs/dbraw/zinc/26/68/89/491266889.db2.gz IKABHWXZHCPSFZ-YESZJQIVSA-N 2 2 363.506 0.324 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416820587 489630525 /nfs/dbraw/zinc/63/05/25/489630525.db2.gz KWVIAWAGGACPOI-HNNXBMFYSA-N 2 2 367.519 0.326 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416892500 489633271 /nfs/dbraw/zinc/63/32/71/489633271.db2.gz OUMYNBNWPLVTQZ-GOSISDBHSA-N 2 2 361.490 0.264 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000372775863 489635293 /nfs/dbraw/zinc/63/52/93/489635293.db2.gz JUYARAOOUPLMPI-FUHWJXTLSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000372775863 489635295 /nfs/dbraw/zinc/63/52/95/489635295.db2.gz JUYARAOOUPLMPI-FUHWJXTLSA-N 2 2 351.491 0.811 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000417067319 489640495 /nfs/dbraw/zinc/64/04/95/489640495.db2.gz DBDQQZMJQMVQTK-OAHLLOKOSA-N 2 2 362.478 0.913 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417189259 489644446 /nfs/dbraw/zinc/64/44/46/489644446.db2.gz YKQAZPCIRSTURS-GOSISDBHSA-N 2 2 364.490 0.904 20 0 FCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000417211437 489645048 /nfs/dbraw/zinc/64/50/48/489645048.db2.gz DSHMXDGPGZWWTN-CABZTGNLSA-N 2 2 368.235 0.476 20 0 FCADLP [NH3+][C@H](CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000417321519 489647847 /nfs/dbraw/zinc/64/78/47/489647847.db2.gz STLWSPZBFUXOLB-QGZVFWFLSA-N 2 2 362.474 0.934 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417322432 489648284 /nfs/dbraw/zinc/64/82/84/489648284.db2.gz VUFVROLHAMZISP-OAHLLOKOSA-N 2 2 350.463 0.934 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417366443 489649794 /nfs/dbraw/zinc/64/97/94/489649794.db2.gz KSBZCNAQGLBORL-UHFFFAOYSA-N 2 2 374.489 0.562 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417368751 489650207 /nfs/dbraw/zinc/65/02/07/489650207.db2.gz OWLYQIXKEXAQBT-MRXNPFEDSA-N 2 2 374.489 0.643 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000428565348 489653693 /nfs/dbraw/zinc/65/36/93/489653693.db2.gz YSZFBXSKOUJDIM-NVXWUHKLSA-N 2 2 354.520 0.929 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000428565348 489653696 /nfs/dbraw/zinc/65/36/96/489653696.db2.gz YSZFBXSKOUJDIM-NVXWUHKLSA-N 2 2 354.520 0.929 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000555735378 491269453 /nfs/dbraw/zinc/26/94/53/491269453.db2.gz RLJJUHWSWRSTFG-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@H](C[NH3+])N(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417628521 489660032 /nfs/dbraw/zinc/66/00/32/489660032.db2.gz PIGYWXQMJACVAU-OAHLLOKOSA-N 2 2 353.511 0.700 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417626382 489660356 /nfs/dbraw/zinc/66/03/56/489660356.db2.gz MYMVCJSYKXHQFS-INIZCTEOSA-N 2 2 367.538 0.866 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000417768558 489665219 /nfs/dbraw/zinc/66/52/19/489665219.db2.gz CQJWNUNOOXRRGP-KGLIPLIRSA-N 2 2 363.466 0.246 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCO[C@@H](C[NH3+])C2)[nH+]cn1 ZINC000417768558 489665222 /nfs/dbraw/zinc/66/52/22/489665222.db2.gz CQJWNUNOOXRRGP-KGLIPLIRSA-N 2 2 363.466 0.246 20 0 FCADLP COC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000428988583 489669596 /nfs/dbraw/zinc/66/95/96/489669596.db2.gz BKPMZFCVFPWQTH-IKGGRYGDSA-N 2 2 362.474 0.902 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373148502 489673827 /nfs/dbraw/zinc/67/38/27/489673827.db2.gz WUYNTDQWICMTIK-HNNXBMFYSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373148502 489673829 /nfs/dbraw/zinc/67/38/29/489673829.db2.gz WUYNTDQWICMTIK-HNNXBMFYSA-N 2 2 363.437 0.786 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000458274150 489675876 /nfs/dbraw/zinc/67/58/76/489675876.db2.gz JGZIYJXRANMHPT-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000458274150 489675878 /nfs/dbraw/zinc/67/58/78/489675878.db2.gz JGZIYJXRANMHPT-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000458274150 489675879 /nfs/dbraw/zinc/67/58/79/489675879.db2.gz JGZIYJXRANMHPT-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000458274150 489675880 /nfs/dbraw/zinc/67/58/80/489675880.db2.gz JGZIYJXRANMHPT-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CCOC1CC(CNC(=O)NCC[C@H]2CCC[NH2+]2)([NH+]2CCOCC2)C1 ZINC000418084149 489678142 /nfs/dbraw/zinc/67/81/42/489678142.db2.gz OUUGZGORHMCLBG-KLHKWILBSA-N 2 2 354.495 0.698 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450485 489683995 /nfs/dbraw/zinc/68/39/95/489683995.db2.gz FXGOUIBYRRQKFV-OKZBNKHCSA-N 2 2 369.554 0.357 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450485 489683999 /nfs/dbraw/zinc/68/39/99/489683999.db2.gz FXGOUIBYRRQKFV-OKZBNKHCSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450485 489684001 /nfs/dbraw/zinc/68/40/01/489684001.db2.gz FXGOUIBYRRQKFV-OKZBNKHCSA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458450485 489684003 /nfs/dbraw/zinc/68/40/03/489684003.db2.gz FXGOUIBYRRQKFV-OKZBNKHCSA-N 2 2 369.554 0.357 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418285526 489687830 /nfs/dbraw/zinc/68/78/30/489687830.db2.gz PHPGCSFWUSQIBN-HNNXBMFYSA-N 2 2 351.495 0.467 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[C@@H]2CC[NH2+]C2)cn1 ZINC000418351654 489693727 /nfs/dbraw/zinc/69/37/27/489693727.db2.gz ZVYJNQKRMUUYEL-BPUTZDHNSA-N 2 2 352.458 0.631 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[C@@H]2CC[NH2+]C2)cn1 ZINC000418351654 489693729 /nfs/dbraw/zinc/69/37/29/489693729.db2.gz ZVYJNQKRMUUYEL-BPUTZDHNSA-N 2 2 352.458 0.631 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442209 489698367 /nfs/dbraw/zinc/69/83/67/489698367.db2.gz JGVOMFDSHWPXNY-HZPDHXFCSA-N 2 2 369.510 0.078 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000418451636 489698695 /nfs/dbraw/zinc/69/86/95/489698695.db2.gz WHPIVQUJRKEGQD-CYBMUJFWSA-N 2 2 360.466 0.568 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418472323 489701040 /nfs/dbraw/zinc/70/10/40/489701040.db2.gz WJOGFDZTFNTMSV-KRWDZBQOSA-N 2 2 356.511 0.633 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000418654497 489716443 /nfs/dbraw/zinc/71/64/43/489716443.db2.gz AQDKBUIYEQRXHJ-DLBZAZTESA-N 2 2 363.506 0.324 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000469621362 489717129 /nfs/dbraw/zinc/71/71/29/489717129.db2.gz LSWVZUWBTLPERS-KRWDZBQOSA-N 2 2 361.490 0.559 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000469621362 489717130 /nfs/dbraw/zinc/71/71/30/489717130.db2.gz LSWVZUWBTLPERS-KRWDZBQOSA-N 2 2 361.490 0.559 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418691396 489717987 /nfs/dbraw/zinc/71/79/87/489717987.db2.gz YLFLYRZQUOYMGX-BZUAXINKSA-N 2 2 365.522 0.746 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C[NH+](C)C ZINC000469689625 489720967 /nfs/dbraw/zinc/72/09/67/489720967.db2.gz GWSHVONFSYIOJJ-OAHLLOKOSA-N 2 2 366.510 1.313 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489803302 489728890 /nfs/dbraw/zinc/72/88/90/489728890.db2.gz UQBXZIQNVGMRHS-GOSISDBHSA-N 2 2 360.502 0.893 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCOc1cccc(F)c1 ZINC000489886532 489733740 /nfs/dbraw/zinc/73/37/40/489733740.db2.gz RWROIAVDXKSZJE-INIZCTEOSA-N 2 2 350.438 0.300 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489904880 489735294 /nfs/dbraw/zinc/73/52/94/489735294.db2.gz DEJZVLRIWJHYQW-MRXNPFEDSA-N 2 2 366.893 0.944 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489940581 489736261 /nfs/dbraw/zinc/73/62/61/489736261.db2.gz IZYALXMVJSWDLY-RDTXWAMCSA-N 2 2 359.474 0.952 20 0 FCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430546794 489745024 /nfs/dbraw/zinc/74/50/24/489745024.db2.gz KDGHWOLUWQJHTF-WBVHZDCISA-N 2 2 357.520 0.662 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)ccc1C ZINC000430569093 489747609 /nfs/dbraw/zinc/74/76/09/489747609.db2.gz IHSQWFNEOHKSPT-INIZCTEOSA-N 2 2 356.492 0.805 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000418836745 489748204 /nfs/dbraw/zinc/74/82/04/489748204.db2.gz QJRUMJFJAUEFHN-CQSZACIVSA-N 2 2 354.495 0.108 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418836532 489748342 /nfs/dbraw/zinc/74/83/42/489748342.db2.gz RKFSMNTVNIBIDT-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418836532 489748343 /nfs/dbraw/zinc/74/83/43/489748343.db2.gz RKFSMNTVNIBIDT-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430576984 489748426 /nfs/dbraw/zinc/74/84/26/489748426.db2.gz NKRNNHCQNDDBCC-GJZGRUSLSA-N 2 2 362.474 0.963 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430576984 489748427 /nfs/dbraw/zinc/74/84/27/489748427.db2.gz NKRNNHCQNDDBCC-GJZGRUSLSA-N 2 2 362.474 0.963 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c1 ZINC000430579924 489748673 /nfs/dbraw/zinc/74/86/73/489748673.db2.gz GVBPHXLETJORDY-MRXNPFEDSA-N 2 2 354.476 0.592 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000430589417 489749518 /nfs/dbraw/zinc/74/95/18/489749518.db2.gz AKMGMABGUSRIGU-UONOGXRCSA-N 2 2 368.503 0.901 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000430589417 489749521 /nfs/dbraw/zinc/74/95/21/489749521.db2.gz AKMGMABGUSRIGU-UONOGXRCSA-N 2 2 368.503 0.901 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430601655 489750266 /nfs/dbraw/zinc/75/02/66/489750266.db2.gz DYLXKYAEGLCQJB-GFCCVEGCSA-N 2 2 366.487 0.295 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430601655 489750270 /nfs/dbraw/zinc/75/02/70/489750270.db2.gz DYLXKYAEGLCQJB-GFCCVEGCSA-N 2 2 366.487 0.295 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430609379 489751628 /nfs/dbraw/zinc/75/16/28/489751628.db2.gz HJCMEWBQOQJPTD-QWHCGFSZSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430609379 489751632 /nfs/dbraw/zinc/75/16/32/489751632.db2.gz HJCMEWBQOQJPTD-QWHCGFSZSA-N 2 2 366.487 0.282 20 0 FCADLP CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430608249 489751993 /nfs/dbraw/zinc/75/19/93/489751993.db2.gz DVXBLJWOCJYTNA-GFCCVEGCSA-N 2 2 353.492 0.739 20 0 FCADLP CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)sc1C ZINC000430608249 489751998 /nfs/dbraw/zinc/75/19/98/489751998.db2.gz DVXBLJWOCJYTNA-GFCCVEGCSA-N 2 2 353.492 0.739 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430609377 489752741 /nfs/dbraw/zinc/75/27/41/489752741.db2.gz HJCMEWBQOQJPTD-CHWSQXEVSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430609377 489752746 /nfs/dbraw/zinc/75/27/46/489752746.db2.gz HJCMEWBQOQJPTD-CHWSQXEVSA-N 2 2 366.487 0.282 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430610640 489753009 /nfs/dbraw/zinc/75/30/09/489753009.db2.gz LTVZRQKYUSPXHG-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430610640 489753012 /nfs/dbraw/zinc/75/30/12/489753012.db2.gz LTVZRQKYUSPXHG-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430618736 489754344 /nfs/dbraw/zinc/75/43/44/489754344.db2.gz WQVDRKRCIRAEBI-CYBMUJFWSA-N 2 2 352.866 0.708 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430618736 489754350 /nfs/dbraw/zinc/75/43/50/489754350.db2.gz WQVDRKRCIRAEBI-CYBMUJFWSA-N 2 2 352.866 0.708 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619527 489754424 /nfs/dbraw/zinc/75/44/24/489754424.db2.gz GFQPRDOBTQNZOE-OLZOCXBDSA-N 2 2 351.476 0.614 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619527 489754433 /nfs/dbraw/zinc/75/44/33/489754433.db2.gz GFQPRDOBTQNZOE-OLZOCXBDSA-N 2 2 351.476 0.614 20 0 FCADLP CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430619314 489755461 /nfs/dbraw/zinc/75/54/61/489755461.db2.gz AYTZMFQAJGFYSA-CYBMUJFWSA-N 2 2 351.476 0.745 20 0 FCADLP CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430619314 489755464 /nfs/dbraw/zinc/75/54/64/489755464.db2.gz AYTZMFQAJGFYSA-CYBMUJFWSA-N 2 2 351.476 0.745 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C ZINC000418849715 489755756 /nfs/dbraw/zinc/75/57/56/489755756.db2.gz NCVAGSCFXZVQQN-GFCCVEGCSA-N 2 2 358.389 0.124 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)[nH+]c2c1 ZINC000418852094 489756771 /nfs/dbraw/zinc/75/67/71/489756771.db2.gz USRYPATZCNYQRU-TZMCWYRMSA-N 2 2 359.430 0.488 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000555854217 491277079 /nfs/dbraw/zinc/27/70/79/491277079.db2.gz VJSLRPACRVJLCP-INIZCTEOSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000555854217 491277080 /nfs/dbraw/zinc/27/70/80/491277080.db2.gz VJSLRPACRVJLCP-INIZCTEOSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430634049 489758905 /nfs/dbraw/zinc/75/89/05/489758905.db2.gz QTNONRWFVBNCRI-AWEZNQCLSA-N 2 2 350.438 0.237 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430634049 489758907 /nfs/dbraw/zinc/75/89/07/489758907.db2.gz QTNONRWFVBNCRI-AWEZNQCLSA-N 2 2 350.438 0.237 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000376609097 489759793 /nfs/dbraw/zinc/75/97/93/489759793.db2.gz ACKQNPRGRRFFKJ-AEFFLSMTSA-N 2 2 367.538 0.517 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430647619 489762216 /nfs/dbraw/zinc/76/22/16/489762216.db2.gz YHZWFAJHCSJEQK-UHFFFAOYSA-N 2 2 362.474 0.244 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430647619 489762217 /nfs/dbraw/zinc/76/22/17/489762217.db2.gz YHZWFAJHCSJEQK-UHFFFAOYSA-N 2 2 362.474 0.244 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000459829019 489762650 /nfs/dbraw/zinc/76/26/50/489762650.db2.gz HSNAIGKKHYCSPB-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459847872 489767790 /nfs/dbraw/zinc/76/77/90/489767790.db2.gz DHIUJRKSUTVCIO-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459847872 489767792 /nfs/dbraw/zinc/76/77/92/489767792.db2.gz DHIUJRKSUTVCIO-HZPDHXFCSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@]1(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]C1 ZINC000430732085 489767881 /nfs/dbraw/zinc/76/78/81/489767881.db2.gz YUUSBHGBKGFRRD-IBGZPJMESA-N 2 2 350.507 0.827 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000418874988 489770190 /nfs/dbraw/zinc/77/01/90/489770190.db2.gz JSKUQUWIJZODDV-WFASDCNBSA-N 2 2 352.866 0.879 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000474600841 489773499 /nfs/dbraw/zinc/77/34/99/489773499.db2.gz PVUVBGNWBBYLHH-KRWDZBQOSA-N 2 2 371.489 0.909 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000474600841 489773505 /nfs/dbraw/zinc/77/35/05/489773505.db2.gz PVUVBGNWBBYLHH-KRWDZBQOSA-N 2 2 371.489 0.909 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000418881217 489773563 /nfs/dbraw/zinc/77/35/63/489773563.db2.gz WVCYMZGWNWOGLL-WFASDCNBSA-N 2 2 352.866 0.927 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@@H](C)[NH3+])c2)CC1 ZINC000430859510 489774017 /nfs/dbraw/zinc/77/40/17/489774017.db2.gz WQNZTALVPPHVSK-CYBMUJFWSA-N 2 2 354.476 0.689 20 0 FCADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000418886355 489775632 /nfs/dbraw/zinc/77/56/32/489775632.db2.gz KWMGSUWUKBBQHZ-DLBZAZTESA-N 2 2 371.441 0.270 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430929177 489778313 /nfs/dbraw/zinc/77/83/13/489778313.db2.gz WSFQINFRYOWBKB-IOASZLSFSA-N 2 2 368.503 0.050 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430929177 489778318 /nfs/dbraw/zinc/77/83/18/489778318.db2.gz WSFQINFRYOWBKB-IOASZLSFSA-N 2 2 368.503 0.050 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430928781 489778697 /nfs/dbraw/zinc/77/86/97/489778697.db2.gz MLFFXWJNLAWGNB-WWGRRREGSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430928781 489778698 /nfs/dbraw/zinc/77/86/98/489778698.db2.gz MLFFXWJNLAWGNB-WWGRRREGSA-N 2 2 368.503 0.933 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1C ZINC000430930500 489778708 /nfs/dbraw/zinc/77/87/08/489778708.db2.gz SXLRVOKROWRSRI-OCCSQVGLSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1C ZINC000430930500 489778711 /nfs/dbraw/zinc/77/87/11/489778711.db2.gz SXLRVOKROWRSRI-OCCSQVGLSA-N 2 2 354.476 0.511 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430945388 489780818 /nfs/dbraw/zinc/78/08/18/489780818.db2.gz WZFZNUQDZPJGCG-AWEZNQCLSA-N 2 2 368.503 0.936 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430945388 489780821 /nfs/dbraw/zinc/78/08/21/489780821.db2.gz WZFZNUQDZPJGCG-AWEZNQCLSA-N 2 2 368.503 0.936 20 0 FCADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000376708957 489781238 /nfs/dbraw/zinc/78/12/38/489781238.db2.gz CBWFXKZYMSACBL-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000431008342 489784714 /nfs/dbraw/zinc/78/47/14/489784714.db2.gz RQKDBFWSBGLGNB-QAPCUYQASA-N 2 2 374.485 0.850 20 0 FCADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000431020218 489785216 /nfs/dbraw/zinc/78/52/16/489785216.db2.gz XQSCCWWZMGAIMA-OAHLLOKOSA-N 2 2 360.458 0.778 20 0 FCADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000431020218 489785218 /nfs/dbraw/zinc/78/52/18/489785218.db2.gz XQSCCWWZMGAIMA-OAHLLOKOSA-N 2 2 360.458 0.778 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[NH+]1CCSCC1)[NH+]1CCN(C)CC1 ZINC000490843779 489785459 /nfs/dbraw/zinc/78/54/59/489785459.db2.gz OZKJRFGAAZOMGM-INIZCTEOSA-N 2 2 357.568 0.606 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[NH+]1CCSCC1)N1CC[NH+](C)CC1 ZINC000490843779 489785465 /nfs/dbraw/zinc/78/54/65/489785465.db2.gz OZKJRFGAAZOMGM-INIZCTEOSA-N 2 2 357.568 0.606 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431034812 489787063 /nfs/dbraw/zinc/78/70/63/489787063.db2.gz AFQHOXVVQZMGEQ-KRWDZBQOSA-N 2 2 370.457 0.423 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H](C)[NH2+]1 ZINC000418913185 489787442 /nfs/dbraw/zinc/78/74/42/489787442.db2.gz XKEUOLCZUPRUQH-GJZGRUSLSA-N 2 2 355.442 0.756 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431101644 489788590 /nfs/dbraw/zinc/78/85/90/489788590.db2.gz ISOPHNLGUAIGQQ-CYBMUJFWSA-N 2 2 353.385 0.166 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418915094 489788835 /nfs/dbraw/zinc/78/88/35/489788835.db2.gz UPAWOZNPLFRFPU-XZJROXQQSA-N 2 2 368.428 0.798 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418915094 489788839 /nfs/dbraw/zinc/78/88/39/489788839.db2.gz UPAWOZNPLFRFPU-XZJROXQQSA-N 2 2 368.428 0.798 20 0 FCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916156 489789830 /nfs/dbraw/zinc/78/98/30/489789830.db2.gz WHXUQSQXRZGMME-UHOFOFEASA-N 2 2 366.412 0.776 20 0 FCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916156 489789835 /nfs/dbraw/zinc/78/98/35/489789835.db2.gz WHXUQSQXRZGMME-UHOFOFEASA-N 2 2 366.412 0.776 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418936588 489796069 /nfs/dbraw/zinc/79/60/69/489796069.db2.gz FGOFVRGMEAEJMY-GXTWGEPZSA-N 2 2 350.488 0.466 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418936588 489796074 /nfs/dbraw/zinc/79/60/74/489796074.db2.gz FGOFVRGMEAEJMY-GXTWGEPZSA-N 2 2 350.488 0.466 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418937800 489797701 /nfs/dbraw/zinc/79/77/01/489797701.db2.gz GHQKSSJVKHERRF-CQSZACIVSA-N 2 2 364.515 0.680 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418937800 489797705 /nfs/dbraw/zinc/79/77/05/489797705.db2.gz GHQKSSJVKHERRF-CQSZACIVSA-N 2 2 364.515 0.680 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418941977 489798446 /nfs/dbraw/zinc/79/84/46/489798446.db2.gz KYYRFCBYJQXPHI-ZIAGYGMSSA-N 2 2 350.488 0.609 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418941977 489798450 /nfs/dbraw/zinc/79/84/50/489798450.db2.gz KYYRFCBYJQXPHI-ZIAGYGMSSA-N 2 2 350.488 0.609 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)[C@@H]1CCSC1 ZINC000459931456 489798695 /nfs/dbraw/zinc/79/86/95/489798695.db2.gz BYJRXETWTGSNBA-OAHLLOKOSA-N 2 2 356.536 0.435 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)[C@@H]1CCSC1 ZINC000459931456 489798698 /nfs/dbraw/zinc/79/86/98/489798698.db2.gz BYJRXETWTGSNBA-OAHLLOKOSA-N 2 2 356.536 0.435 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418950107 489801591 /nfs/dbraw/zinc/80/15/91/489801591.db2.gz VQOJUOFJBYTFNE-CQSZACIVSA-N 2 2 350.488 0.562 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418950107 489801595 /nfs/dbraw/zinc/80/15/95/489801595.db2.gz VQOJUOFJBYTFNE-CQSZACIVSA-N 2 2 350.488 0.562 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)CN1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000475027492 489802683 /nfs/dbraw/zinc/80/26/83/489802683.db2.gz HHPANNHOUHBWCW-SFHVURJKSA-N 2 2 370.501 0.946 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000459985446 489809488 /nfs/dbraw/zinc/80/94/88/489809488.db2.gz DMIWFMARXGTCKO-HZPDHXFCSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000459985446 489809493 /nfs/dbraw/zinc/80/94/93/489809493.db2.gz DMIWFMARXGTCKO-HZPDHXFCSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459994784 489811616 /nfs/dbraw/zinc/81/16/16/489811616.db2.gz MOYUCOFRAJRVJT-QGZVFWFLSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459994784 489811620 /nfs/dbraw/zinc/81/16/20/489811620.db2.gz MOYUCOFRAJRVJT-QGZVFWFLSA-N 2 2 368.522 0.356 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968573 491280603 /nfs/dbraw/zinc/28/06/03/491280603.db2.gz DHNLVJNWLWVEKQ-ZBFHGGJFSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000563968573 491280605 /nfs/dbraw/zinc/28/06/05/491280605.db2.gz DHNLVJNWLWVEKQ-ZBFHGGJFSA-N 2 2 373.519 0.527 20 0 FCADLP CN(C(=O)[C@@H]1COCCN1CC(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376890268 489813024 /nfs/dbraw/zinc/81/30/24/489813024.db2.gz XKZPCDWVDIQIIY-HOTGVXAUSA-N 2 2 374.476 0.579 20 0 FCADLP CN(C(=O)[C@@H]1COCCN1CC(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376890268 489813030 /nfs/dbraw/zinc/81/30/30/489813030.db2.gz XKZPCDWVDIQIIY-HOTGVXAUSA-N 2 2 374.476 0.579 20 0 FCADLP CN(C(=O)[C@@H]1COCCN1CC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376890267 489813082 /nfs/dbraw/zinc/81/30/82/489813082.db2.gz XKZPCDWVDIQIIY-CVEARBPZSA-N 2 2 374.476 0.579 20 0 FCADLP CN(C(=O)[C@@H]1COCCN1CC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376890267 489813083 /nfs/dbraw/zinc/81/30/83/489813083.db2.gz XKZPCDWVDIQIIY-CVEARBPZSA-N 2 2 374.476 0.579 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)CC2)c1 ZINC000459999838 489814233 /nfs/dbraw/zinc/81/42/33/489814233.db2.gz BSDUQLKNMUAXBS-KRWDZBQOSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)CC2)c1 ZINC000459999838 489814238 /nfs/dbraw/zinc/81/42/38/489814238.db2.gz BSDUQLKNMUAXBS-KRWDZBQOSA-N 2 2 373.501 0.837 20 0 FCADLP CO[C@@H]1CCN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)[C@H](C[NH3+])C1 ZINC000419001220 489814469 /nfs/dbraw/zinc/81/44/69/489814469.db2.gz SEIDJEVQNAQUJW-LSDHHAIUSA-N 2 2 373.457 0.426 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419001247 489814525 /nfs/dbraw/zinc/81/45/25/489814525.db2.gz SILLRAKOBYNEGW-ZFWWWQNUSA-N 2 2 357.458 0.904 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000460023268 489822072 /nfs/dbraw/zinc/82/20/72/489822072.db2.gz LXDGJLHKBWAXLA-AWEZNQCLSA-N 2 2 363.462 0.031 20 0 FCADLP CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000460029555 489823598 /nfs/dbraw/zinc/82/35/98/489823598.db2.gz BVRVEWSJGRKLKR-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000460029555 489823603 /nfs/dbraw/zinc/82/36/03/489823603.db2.gz BVRVEWSJGRKLKR-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000376971821 489827848 /nfs/dbraw/zinc/82/78/48/489827848.db2.gz AHWAEPDJOLXUIA-KZNAEPCWSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000376971821 489827850 /nfs/dbraw/zinc/82/78/50/489827850.db2.gz AHWAEPDJOLXUIA-KZNAEPCWSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419045322 489832224 /nfs/dbraw/zinc/83/22/24/489832224.db2.gz WBMYGPWDSBIIBS-IYBDPMFKSA-N 2 2 353.426 0.841 20 0 FCADLP Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NCC[NH3+])[nH+]c12 ZINC000419047746 489834276 /nfs/dbraw/zinc/83/42/76/489834276.db2.gz YVRHIVOQRXOCAB-UHFFFAOYSA-N 2 2 368.235 0.139 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000475578415 489836897 /nfs/dbraw/zinc/83/68/97/489836897.db2.gz AYSODOCUNCHCBK-HUUCEWRRSA-N 2 2 350.467 0.820 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000475578415 489836900 /nfs/dbraw/zinc/83/69/00/489836900.db2.gz AYSODOCUNCHCBK-HUUCEWRRSA-N 2 2 350.467 0.820 20 0 FCADLP O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432533575 489846371 /nfs/dbraw/zinc/84/63/71/489846371.db2.gz DWLAFUFCRFSRIC-XJKSGUPXSA-N 2 2 359.430 0.099 20 0 FCADLP O=C(Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432533575 489846375 /nfs/dbraw/zinc/84/63/75/489846375.db2.gz DWLAFUFCRFSRIC-XJKSGUPXSA-N 2 2 359.430 0.099 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000377081740 489849349 /nfs/dbraw/zinc/84/93/49/489849349.db2.gz IWVFPULPLCZKGC-OAHLLOKOSA-N 2 2 374.489 0.445 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000377081740 489849355 /nfs/dbraw/zinc/84/93/55/489849355.db2.gz IWVFPULPLCZKGC-OAHLLOKOSA-N 2 2 374.489 0.445 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCS(=O)(=O)CC1 ZINC000493601664 489851927 /nfs/dbraw/zinc/85/19/27/489851927.db2.gz JCAHBRIHPLDSPO-MRXNPFEDSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCS(=O)(=O)CC1 ZINC000493601664 489851930 /nfs/dbraw/zinc/85/19/30/489851930.db2.gz JCAHBRIHPLDSPO-MRXNPFEDSA-N 2 2 359.536 0.686 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000460259772 489859166 /nfs/dbraw/zinc/85/91/66/489859166.db2.gz VPANRKNGNOZOSZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000460259772 489859169 /nfs/dbraw/zinc/85/91/69/489859169.db2.gz VPANRKNGNOZOSZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000460259772 489859172 /nfs/dbraw/zinc/85/91/72/489859172.db2.gz VPANRKNGNOZOSZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000460259772 489859176 /nfs/dbraw/zinc/85/91/76/489859176.db2.gz VPANRKNGNOZOSZ-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000419114577 489861648 /nfs/dbraw/zinc/86/16/48/489861648.db2.gz IJRAEAJCVNDJLA-SFHVURJKSA-N 2 2 374.485 0.379 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000419115529 489861929 /nfs/dbraw/zinc/86/19/29/489861929.db2.gz JTTLQVVTIMBDSR-HZPDHXFCSA-N 2 2 359.474 0.932 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419117616 489862447 /nfs/dbraw/zinc/86/24/47/489862447.db2.gz MKSHEQHGPUKBLQ-XHSDSOJGSA-N 2 2 354.495 0.093 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000419118516 489863643 /nfs/dbraw/zinc/86/36/43/489863643.db2.gz NXFOOAUIZCQKOU-YESZJQIVSA-N 2 2 371.485 0.884 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000419119805 489864278 /nfs/dbraw/zinc/86/42/78/489864278.db2.gz PGAGPNLWRZQYFC-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000433068093 489865254 /nfs/dbraw/zinc/86/52/54/489865254.db2.gz NTCCTXWLQUPGKR-HNNXBMFYSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000433068093 489865256 /nfs/dbraw/zinc/86/52/56/489865256.db2.gz NTCCTXWLQUPGKR-HNNXBMFYSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H](C)[NH2+]1 ZINC000419120517 489865603 /nfs/dbraw/zinc/86/56/03/489865603.db2.gz QNIGIEUVQKPPAL-GASCZTMLSA-N 2 2 359.474 0.897 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419123366 489867221 /nfs/dbraw/zinc/86/72/21/489867221.db2.gz VSWBATJFOPJWDC-CVEARBPZSA-N 2 2 357.458 0.508 20 0 FCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000433129691 489867542 /nfs/dbraw/zinc/86/75/42/489867542.db2.gz OQPMKZSAHFQRTF-MRXNPFEDSA-N 2 2 364.465 0.931 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180043 489873290 /nfs/dbraw/zinc/87/32/90/489873290.db2.gz QVDRFZLDJPULBQ-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CCO1 ZINC000494180043 489873295 /nfs/dbraw/zinc/87/32/95/489873295.db2.gz QVDRFZLDJPULBQ-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC000494180043 489873297 /nfs/dbraw/zinc/87/32/97/489873297.db2.gz QVDRFZLDJPULBQ-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC000494180043 489873302 /nfs/dbraw/zinc/87/33/02/489873302.db2.gz QVDRFZLDJPULBQ-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000494205944 489875025 /nfs/dbraw/zinc/87/50/25/489875025.db2.gz UCYQWKUZLBQEEW-YESZJQIVSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000494205944 489875030 /nfs/dbraw/zinc/87/50/30/489875030.db2.gz UCYQWKUZLBQEEW-YESZJQIVSA-N 2 2 356.511 0.896 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266223 489876910 /nfs/dbraw/zinc/87/69/10/489876910.db2.gz JDJYTPLCUWKXAY-UHFFFAOYSA-N 3 2 367.538 0.960 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266223 489876915 /nfs/dbraw/zinc/87/69/15/489876915.db2.gz JDJYTPLCUWKXAY-UHFFFAOYSA-N 3 2 367.538 0.960 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000420007831 489879693 /nfs/dbraw/zinc/87/96/93/489879693.db2.gz SWLDKUSRTFTISE-HUUCEWRRSA-N 2 2 362.474 0.754 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000420021783 489883072 /nfs/dbraw/zinc/88/30/72/489883072.db2.gz IMSVGSHJDMPCGI-GJZGRUSLSA-N 2 2 362.474 0.581 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000420021783 489883074 /nfs/dbraw/zinc/88/30/74/489883074.db2.gz IMSVGSHJDMPCGI-GJZGRUSLSA-N 2 2 362.474 0.581 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000420029975 489886324 /nfs/dbraw/zinc/88/63/24/489886324.db2.gz FZPXJBRXUZLYIL-MRXNPFEDSA-N 2 2 359.474 0.779 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420030647 489887135 /nfs/dbraw/zinc/88/71/35/489887135.db2.gz GPBMBRQSRATMGQ-YUELXQCFSA-N 2 2 362.430 0.291 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000420036004 489889007 /nfs/dbraw/zinc/88/90/07/489889007.db2.gz ZWXDVHMXDXXXPJ-UONOGXRCSA-N 2 2 361.446 0.125 20 0 FCADLP C[C@H]1[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1(F)F ZINC000461001635 489893361 /nfs/dbraw/zinc/89/33/61/489893361.db2.gz QOZFAKZNLNRODS-XJKSGUPXSA-N 2 2 372.460 0.584 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000494532923 489894985 /nfs/dbraw/zinc/89/49/85/489894985.db2.gz OEXLHJKBALULNY-OAHLLOKOSA-N 2 2 353.511 0.842 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000494532923 489894990 /nfs/dbraw/zinc/89/49/90/489894990.db2.gz OEXLHJKBALULNY-OAHLLOKOSA-N 2 2 353.511 0.842 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000420060194 489897781 /nfs/dbraw/zinc/89/77/81/489897781.db2.gz POAJYZWQTTWXNF-HUUCEWRRSA-N 2 2 362.478 0.249 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000420064566 489900014 /nfs/dbraw/zinc/90/00/14/489900014.db2.gz PCCSFWHGBOBJLS-WEBJUUICSA-N 2 2 356.470 0.698 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000476561663 489900164 /nfs/dbraw/zinc/90/01/64/489900164.db2.gz HGDHGXKBJKHKIY-NVXWUHKLSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000476561663 489900168 /nfs/dbraw/zinc/90/01/68/489900168.db2.gz HGDHGXKBJKHKIY-NVXWUHKLSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000476561663 489900173 /nfs/dbraw/zinc/90/01/73/489900173.db2.gz HGDHGXKBJKHKIY-NVXWUHKLSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000476561663 489900174 /nfs/dbraw/zinc/90/01/74/489900174.db2.gz HGDHGXKBJKHKIY-NVXWUHKLSA-N 2 2 363.506 0.843 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494639750 489901775 /nfs/dbraw/zinc/90/17/75/489901775.db2.gz WMDVFKHVTHQQBJ-MRXNPFEDSA-N 2 2 359.474 0.932 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(CC)CC2)CCO1 ZINC000494656107 489902321 /nfs/dbraw/zinc/90/23/21/489902321.db2.gz NCDXGBDTSACVLA-GOSISDBHSA-N 2 2 369.554 0.814 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(CC)CC2)CCO1 ZINC000494656107 489902325 /nfs/dbraw/zinc/90/23/25/489902325.db2.gz NCDXGBDTSACVLA-GOSISDBHSA-N 2 2 369.554 0.814 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCCN2CC[NH+](CC)CC2)CCO1 ZINC000494656107 489902330 /nfs/dbraw/zinc/90/23/30/489902330.db2.gz NCDXGBDTSACVLA-GOSISDBHSA-N 2 2 369.554 0.814 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCCN2CC[NH+](CC)CC2)CCO1 ZINC000494656107 489902335 /nfs/dbraw/zinc/90/23/35/489902335.db2.gz NCDXGBDTSACVLA-GOSISDBHSA-N 2 2 369.554 0.814 20 0 FCADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000433926559 489904874 /nfs/dbraw/zinc/90/48/74/489904874.db2.gz LDJATQIASILFJZ-INIZCTEOSA-N 2 2 353.511 0.034 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000433940882 489905765 /nfs/dbraw/zinc/90/57/65/489905765.db2.gz LMUXJEZGNDYBSX-OAHLLOKOSA-N 2 2 368.478 0.130 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000433940882 489905767 /nfs/dbraw/zinc/90/57/67/489905767.db2.gz LMUXJEZGNDYBSX-OAHLLOKOSA-N 2 2 368.478 0.130 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420094951 489910529 /nfs/dbraw/zinc/91/05/29/489910529.db2.gz RTKPXMXWBQYQAX-ZDUSSCGKSA-N 2 2 350.488 0.951 20 0 FCADLP CN(C)[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)c1c[nH+]cn1C ZINC000494750772 489911015 /nfs/dbraw/zinc/91/10/15/489911015.db2.gz AOWGFSJCQARSKE-KRWDZBQOSA-N 2 2 360.462 0.675 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000420097119 489911279 /nfs/dbraw/zinc/91/12/79/489911279.db2.gz HUXLMQKYRKHVBD-GOSISDBHSA-N 2 2 372.469 0.229 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000420101730 489913207 /nfs/dbraw/zinc/91/32/07/489913207.db2.gz MEOPTZCFROSMLF-HXUWFJFHSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494814838 489916045 /nfs/dbraw/zinc/91/60/45/489916045.db2.gz ZIWMYIXMCKMUPC-GDBMZVCRSA-N 2 2 358.446 0.175 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)CCCO1 ZINC000434332235 489922725 /nfs/dbraw/zinc/92/27/25/489922725.db2.gz ABDQPVRCMZXZRY-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)CCCO1 ZINC000434332235 489922731 /nfs/dbraw/zinc/92/27/31/489922731.db2.gz ABDQPVRCMZXZRY-MRXNPFEDSA-N 2 2 354.495 0.651 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000420131802 489923503 /nfs/dbraw/zinc/92/35/03/489923503.db2.gz XNFFQKARXVOBPK-LSDHHAIUSA-N 2 2 362.478 0.143 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000420131802 489923507 /nfs/dbraw/zinc/92/35/07/489923507.db2.gz XNFFQKARXVOBPK-LSDHHAIUSA-N 2 2 362.478 0.143 20 0 FCADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628804 489933647 /nfs/dbraw/zinc/93/36/47/489933647.db2.gz OMMRTSFSMSZUSK-FUHWJXTLSA-N 2 2 360.506 0.523 20 0 FCADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628804 489933651 /nfs/dbraw/zinc/93/36/51/489933651.db2.gz OMMRTSFSMSZUSK-FUHWJXTLSA-N 2 2 360.506 0.523 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661139 489938531 /nfs/dbraw/zinc/93/85/31/489938531.db2.gz CRQRMJRWOCRSLD-WMZOPIPTSA-N 3 2 351.539 0.249 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661139 489938533 /nfs/dbraw/zinc/93/85/33/489938533.db2.gz CRQRMJRWOCRSLD-WMZOPIPTSA-N 3 2 351.539 0.249 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420169091 489939060 /nfs/dbraw/zinc/93/90/60/489939060.db2.gz QURIZLZHCRMINO-OAHLLOKOSA-N 2 2 359.474 0.625 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000477088315 489940485 /nfs/dbraw/zinc/94/04/85/489940485.db2.gz YZPGDHFSDWPJFB-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000477092740 489941202 /nfs/dbraw/zinc/94/12/02/489941202.db2.gz CSYHEVUJZHRQTP-CVEARBPZSA-N 2 2 356.511 0.306 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119089 491290032 /nfs/dbraw/zinc/29/00/32/491290032.db2.gz XJYHHPVJLXZEOH-HZPDHXFCSA-N 2 2 361.490 0.985 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119089 491290033 /nfs/dbraw/zinc/29/00/33/491290033.db2.gz XJYHHPVJLXZEOH-HZPDHXFCSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)CCC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434709287 489950802 /nfs/dbraw/zinc/95/08/02/489950802.db2.gz FUOSAYMYVMEEFF-RTBURBONSA-N 2 2 356.555 0.682 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)CCC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434709287 489950804 /nfs/dbraw/zinc/95/08/04/489950804.db2.gz FUOSAYMYVMEEFF-RTBURBONSA-N 2 2 356.555 0.682 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000477291582 489956079 /nfs/dbraw/zinc/95/60/79/489956079.db2.gz AGJNZOORLKBDQR-SPYBWZPUSA-N 2 2 361.490 0.941 20 0 FCADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347108 489965878 /nfs/dbraw/zinc/96/58/78/489965878.db2.gz FRULBUVUXIVYRK-HNNXBMFYSA-N 2 2 360.458 0.781 20 0 FCADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347108 489965882 /nfs/dbraw/zinc/96/58/82/489965882.db2.gz FRULBUVUXIVYRK-HNNXBMFYSA-N 2 2 360.458 0.781 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373811 489968517 /nfs/dbraw/zinc/96/85/17/489968517.db2.gz NGWMVYBKGMRXKS-PKOBYXMFSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373811 489968518 /nfs/dbraw/zinc/96/85/18/489968518.db2.gz NGWMVYBKGMRXKS-PKOBYXMFSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373811 489968522 /nfs/dbraw/zinc/96/85/22/489968522.db2.gz NGWMVYBKGMRXKS-PKOBYXMFSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000420373811 489968525 /nfs/dbraw/zinc/96/85/25/489968525.db2.gz NGWMVYBKGMRXKS-PKOBYXMFSA-N 3 2 352.523 0.535 20 0 FCADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420397708 489971281 /nfs/dbraw/zinc/97/12/81/489971281.db2.gz XXVMPTHDKVDQAF-DZGCQCFKSA-N 2 2 351.447 0.758 20 0 FCADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420397708 489971282 /nfs/dbraw/zinc/97/12/82/489971282.db2.gz XXVMPTHDKVDQAF-DZGCQCFKSA-N 2 2 351.447 0.758 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406014 489972772 /nfs/dbraw/zinc/97/27/72/489972772.db2.gz NHNOMBSCOICDQI-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406014 489972776 /nfs/dbraw/zinc/97/27/76/489972776.db2.gz NHNOMBSCOICDQI-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462404447 489974044 /nfs/dbraw/zinc/97/40/44/489974044.db2.gz WGGZXKLBCZQYBB-KXBFYZLASA-N 2 2 360.458 0.638 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462404447 489974046 /nfs/dbraw/zinc/97/40/46/489974046.db2.gz WGGZXKLBCZQYBB-KXBFYZLASA-N 2 2 360.458 0.638 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000477592625 489975056 /nfs/dbraw/zinc/97/50/56/489975056.db2.gz PYPXFDAINPWADP-KRWDZBQOSA-N 2 2 371.503 0.110 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000377911234 489977950 /nfs/dbraw/zinc/97/79/50/489977950.db2.gz MWIKDHDONFHNLE-HNNXBMFYSA-N 2 2 372.429 0.351 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000377911234 489977951 /nfs/dbraw/zinc/97/79/51/489977951.db2.gz MWIKDHDONFHNLE-HNNXBMFYSA-N 2 2 372.429 0.351 20 0 FCADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)NC(=O)NCC(F)(F)F ZINC000435061578 489979611 /nfs/dbraw/zinc/97/96/11/489979611.db2.gz QMLPMXJFLNFBTB-UHFFFAOYSA-N 2 2 362.356 0.306 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206786 491292960 /nfs/dbraw/zinc/29/29/60/491292960.db2.gz XNTHXYIGGOCPFC-JKSUJKDBSA-N 2 2 359.474 0.504 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206786 491292961 /nfs/dbraw/zinc/29/29/61/491292961.db2.gz XNTHXYIGGOCPFC-JKSUJKDBSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477845135 489993826 /nfs/dbraw/zinc/99/38/26/489993826.db2.gz NSECNJVNHNMUSI-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477845135 489993828 /nfs/dbraw/zinc/99/38/28/489993828.db2.gz NSECNJVNHNMUSI-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477845135 489993829 /nfs/dbraw/zinc/99/38/29/489993829.db2.gz NSECNJVNHNMUSI-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000477845135 489993831 /nfs/dbraw/zinc/99/38/31/489993831.db2.gz NSECNJVNHNMUSI-LUKYLMHMSA-N 2 2 370.538 0.971 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000420610061 490002370 /nfs/dbraw/zinc/00/23/70/490002370.db2.gz LMSKTVFWXFQCKN-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000420610061 490002373 /nfs/dbraw/zinc/00/23/73/490002373.db2.gz LMSKTVFWXFQCKN-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478214859 490010093 /nfs/dbraw/zinc/01/00/93/490010093.db2.gz YKSIDJMSTJQTFL-IKGGRYGDSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478214859 490010100 /nfs/dbraw/zinc/01/01/00/490010100.db2.gz YKSIDJMSTJQTFL-IKGGRYGDSA-N 2 2 356.511 0.440 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000437090936 490019042 /nfs/dbraw/zinc/01/90/42/490019042.db2.gz JCJTWIJCIOAJGY-DGCLKSJQSA-N 2 2 372.457 0.920 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@H+]1C ZINC000437090936 490019046 /nfs/dbraw/zinc/01/90/46/490019046.db2.gz JCJTWIJCIOAJGY-DGCLKSJQSA-N 2 2 372.457 0.920 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000437426909 490023323 /nfs/dbraw/zinc/02/33/23/490023323.db2.gz LGZYUMOTKZWGJA-UHFFFAOYSA-N 2 2 362.478 0.462 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000437426909 490023329 /nfs/dbraw/zinc/02/33/29/490023329.db2.gz LGZYUMOTKZWGJA-UHFFFAOYSA-N 2 2 362.478 0.462 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000556099084 491295057 /nfs/dbraw/zinc/29/50/57/491295057.db2.gz ZJHRRFZRFKQXCV-HNNXBMFYSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000556099084 491295059 /nfs/dbraw/zinc/29/50/59/491295059.db2.gz ZJHRRFZRFKQXCV-HNNXBMFYSA-N 2 2 359.474 0.897 20 0 FCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000437981898 490031445 /nfs/dbraw/zinc/03/14/45/490031445.db2.gz XNYBHDUOYNNMKB-AQNXPRMDSA-N 2 2 370.497 0.488 20 0 FCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000437981898 490031449 /nfs/dbraw/zinc/03/14/49/490031449.db2.gz XNYBHDUOYNNMKB-AQNXPRMDSA-N 2 2 370.497 0.488 20 0 FCADLP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437981898 490031452 /nfs/dbraw/zinc/03/14/52/490031452.db2.gz XNYBHDUOYNNMKB-AQNXPRMDSA-N 2 2 370.497 0.488 20 0 FCADLP O=C([C@H]1C[NH+]2CCN1CCC2)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437981898 490031454 /nfs/dbraw/zinc/03/14/54/490031454.db2.gz XNYBHDUOYNNMKB-AQNXPRMDSA-N 2 2 370.497 0.488 20 0 FCADLP CC[N@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)C ZINC000438328812 490033442 /nfs/dbraw/zinc/03/34/42/490033442.db2.gz UCHJWGACUCXSRI-UHFFFAOYSA-N 2 2 352.483 1.067 20 0 FCADLP CC[N@@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)C ZINC000438328812 490033444 /nfs/dbraw/zinc/03/34/44/490033444.db2.gz UCHJWGACUCXSRI-UHFFFAOYSA-N 2 2 352.483 1.067 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420932459 490033721 /nfs/dbraw/zinc/03/37/21/490033721.db2.gz HDAXZVHAXTYBDV-KRWDZBQOSA-N 2 2 353.488 0.772 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420932459 490033725 /nfs/dbraw/zinc/03/37/25/490033725.db2.gz HDAXZVHAXTYBDV-KRWDZBQOSA-N 2 2 353.488 0.772 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438330426 490033901 /nfs/dbraw/zinc/03/39/01/490033901.db2.gz YTANYGQQVDGKDP-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000478798617 490038593 /nfs/dbraw/zinc/03/85/93/490038593.db2.gz HGGREYPTJVUIQC-LSDHHAIUSA-N 2 2 362.478 0.215 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000478798617 490038597 /nfs/dbraw/zinc/03/85/97/490038597.db2.gz HGGREYPTJVUIQC-LSDHHAIUSA-N 2 2 362.478 0.215 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000420983813 490039414 /nfs/dbraw/zinc/03/94/14/490039414.db2.gz RQZVWULLPTZWNT-UHFFFAOYSA-N 2 2 362.526 0.512 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000420983813 490039418 /nfs/dbraw/zinc/03/94/18/490039418.db2.gz RQZVWULLPTZWNT-UHFFFAOYSA-N 2 2 362.526 0.512 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420987611 490040168 /nfs/dbraw/zinc/04/01/68/490040168.db2.gz OTZASRTVJYZNIT-LJQANCHMSA-N 2 2 358.486 0.850 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000420987611 490040169 /nfs/dbraw/zinc/04/01/69/490040169.db2.gz OTZASRTVJYZNIT-LJQANCHMSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823426 490040569 /nfs/dbraw/zinc/04/05/69/490040569.db2.gz LXSNUHUYVZXBNN-JKSUJKDBSA-N 2 2 361.490 0.802 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000478823426 490040572 /nfs/dbraw/zinc/04/05/72/490040572.db2.gz LXSNUHUYVZXBNN-JKSUJKDBSA-N 2 2 361.490 0.802 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478903114 490051441 /nfs/dbraw/zinc/05/14/41/490051441.db2.gz WUBOGSQCBPGVIV-SFHVURJKSA-N 2 2 369.506 0.439 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000571288798 491298260 /nfs/dbraw/zinc/29/82/60/491298260.db2.gz QTOLMWLITKSMHS-UHFFFAOYSA-N 2 2 364.515 0.945 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443061344 490065605 /nfs/dbraw/zinc/06/56/05/490065605.db2.gz RHCCMQDYPZJMPX-HRCADAONSA-N 2 2 359.536 0.861 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443061344 490065610 /nfs/dbraw/zinc/06/56/10/490065610.db2.gz RHCCMQDYPZJMPX-HRCADAONSA-N 2 2 359.536 0.861 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000479103997 490067139 /nfs/dbraw/zinc/06/71/39/490067139.db2.gz XEPHUDYGCGOAKZ-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000479103997 490067142 /nfs/dbraw/zinc/06/71/42/490067142.db2.gz XEPHUDYGCGOAKZ-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479103997 490067145 /nfs/dbraw/zinc/06/71/45/490067145.db2.gz XEPHUDYGCGOAKZ-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479103997 490067148 /nfs/dbraw/zinc/06/71/48/490067148.db2.gz XEPHUDYGCGOAKZ-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479191463 490073214 /nfs/dbraw/zinc/07/32/14/490073214.db2.gz SHTIXXBZNINZDD-DYVFJYSZSA-N 2 2 362.449 0.679 20 0 FCADLP O=C1C[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C(=O)N1c1cnccn1 ZINC000465037575 490076410 /nfs/dbraw/zinc/07/64/10/490076410.db2.gz PCFQNYYAKUDQOT-INIZCTEOSA-N 2 2 373.457 0.685 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C(=O)OC)CCC1 ZINC000378529097 490079664 /nfs/dbraw/zinc/07/96/64/490079664.db2.gz MHZHUSGNECQXEK-CVEARBPZSA-N 2 2 367.490 0.631 20 0 FCADLP CNC(=O)CCCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000519777014 490082941 /nfs/dbraw/zinc/08/29/41/490082941.db2.gz RIOWLXYOUDJKKD-KRWDZBQOSA-N 2 2 357.458 0.786 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000532654843 490090829 /nfs/dbraw/zinc/09/08/29/490090829.db2.gz SLPLYIGVKKQWOK-NXHRZFHOSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000532654843 490090830 /nfs/dbraw/zinc/09/08/30/490090830.db2.gz SLPLYIGVKKQWOK-NXHRZFHOSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1[NH+](C)C ZINC000465285641 490099479 /nfs/dbraw/zinc/09/94/79/490099479.db2.gz ODIHAKWFWIFXBX-CVEARBPZSA-N 2 2 361.494 0.190 20 0 FCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3C[C@H](O)[C@@H](O)C3)CC2)cc1 ZINC000444705206 490107645 /nfs/dbraw/zinc/10/76/45/490107645.db2.gz MILAGAVDXKUHRB-OALUTQOASA-N 2 2 361.486 0.492 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000496512921 490122146 /nfs/dbraw/zinc/12/21/46/490122146.db2.gz FLXSNVDCFUMJGM-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000545408504 490131887 /nfs/dbraw/zinc/13/18/87/490131887.db2.gz DCFYJRQUMVQWOK-DLBZAZTESA-N 2 2 356.511 0.848 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545408504 490131892 /nfs/dbraw/zinc/13/18/92/490131892.db2.gz DCFYJRQUMVQWOK-DLBZAZTESA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000479915113 490136586 /nfs/dbraw/zinc/13/65/86/490136586.db2.gz JTJSCUIGPOENRG-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000479915113 490136591 /nfs/dbraw/zinc/13/65/91/490136591.db2.gz JTJSCUIGPOENRG-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000479987229 490145057 /nfs/dbraw/zinc/14/50/57/490145057.db2.gz BZGPGHLLLFGHBL-HNNXBMFYSA-N 2 2 356.511 0.260 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000520427842 490148375 /nfs/dbraw/zinc/14/83/75/490148375.db2.gz BZOIIHYPBICIRP-QBIMZIAESA-N 2 2 360.462 0.525 20 0 FCADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3C[NH2+]CCO3)CCCCCC2)no1 ZINC000446282085 490157886 /nfs/dbraw/zinc/15/78/86/490157886.db2.gz FFLMZEJAONGDKA-ZDUSSCGKSA-N 2 2 351.451 0.785 20 0 FCADLP C[NH2+]CCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000520575460 490165886 /nfs/dbraw/zinc/16/58/86/490165886.db2.gz OGBOPFSMQQIGCP-OAHLLOKOSA-N 2 2 362.478 0.398 20 0 FCADLP C[NH2+]CCCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000520575460 490165892 /nfs/dbraw/zinc/16/58/92/490165892.db2.gz OGBOPFSMQQIGCP-OAHLLOKOSA-N 2 2 362.478 0.398 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000571387881 491304358 /nfs/dbraw/zinc/30/43/58/491304358.db2.gz NPIXPFACEFFBEQ-GFCCVEGCSA-N 2 2 374.894 0.528 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000571387881 491304360 /nfs/dbraw/zinc/30/43/60/491304360.db2.gz NPIXPFACEFFBEQ-GFCCVEGCSA-N 2 2 374.894 0.528 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000571398802 491305134 /nfs/dbraw/zinc/30/51/34/491305134.db2.gz ACWLNEYOZSMFJW-KGLIPLIRSA-N 2 2 366.487 0.106 20 0 FCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000556244595 491305494 /nfs/dbraw/zinc/30/54/94/491305494.db2.gz FCWXGVBTKYIINU-MRXNPFEDSA-N 2 2 355.442 0.692 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000520812898 490192388 /nfs/dbraw/zinc/19/23/88/490192388.db2.gz IRXBHSCVGSTXTR-IHRRRGAJSA-N 2 2 363.462 0.369 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564440477 491306999 /nfs/dbraw/zinc/30/69/99/491306999.db2.gz KXLNZFBKPAFGFG-GDBMZVCRSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000571420538 491307058 /nfs/dbraw/zinc/30/70/58/491307058.db2.gz LARISEWFVNSZNW-PMPSAXMXSA-N 2 2 351.495 0.452 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721109 490203495 /nfs/dbraw/zinc/20/34/95/490203495.db2.gz RDQKBCFLBOBYDS-KBMXLJTQSA-N 2 2 353.488 0.700 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721109 490203497 /nfs/dbraw/zinc/20/34/97/490203497.db2.gz RDQKBCFLBOBYDS-KBMXLJTQSA-N 2 2 353.488 0.700 20 0 FCADLP CCCN1C[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000422215644 490203481 /nfs/dbraw/zinc/20/34/81/490203481.db2.gz IDGLLZRALQUWJW-MRXNPFEDSA-N 2 2 367.538 0.912 20 0 FCADLP CCCN1C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000422215644 490203488 /nfs/dbraw/zinc/20/34/88/490203488.db2.gz IDGLLZRALQUWJW-MRXNPFEDSA-N 2 2 367.538 0.912 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000447308614 490218081 /nfs/dbraw/zinc/21/80/81/490218081.db2.gz GFJMUVVRDYTRRD-HZPDHXFCSA-N 2 2 370.490 0.898 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000447308614 490218090 /nfs/dbraw/zinc/21/80/90/490218090.db2.gz GFJMUVVRDYTRRD-HZPDHXFCSA-N 2 2 370.490 0.898 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533397944 490227958 /nfs/dbraw/zinc/22/79/58/490227958.db2.gz FCMZEBKUXZCSTH-INIZCTEOSA-N 2 2 367.490 0.633 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000533397944 490227969 /nfs/dbraw/zinc/22/79/69/490227969.db2.gz FCMZEBKUXZCSTH-INIZCTEOSA-N 2 2 367.490 0.633 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000556311662 491309126 /nfs/dbraw/zinc/30/91/26/491309126.db2.gz LMQHBVONUYADJE-CVEARBPZSA-N 2 2 365.478 0.347 20 0 FCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000497900342 490230342 /nfs/dbraw/zinc/23/03/42/490230342.db2.gz FRLXWLPWFNIUHG-AWEZNQCLSA-N 2 2 361.446 0.561 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000521448577 490263193 /nfs/dbraw/zinc/26/31/93/490263193.db2.gz KUDJKEJBYKVSFU-MRXNPFEDSA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937296 490265247 /nfs/dbraw/zinc/26/52/47/490265247.db2.gz NZBBESYXFTZNQE-QZTJIDSGSA-N 2 2 350.507 0.477 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937296 490265255 /nfs/dbraw/zinc/26/52/55/490265255.db2.gz NZBBESYXFTZNQE-QZTJIDSGSA-N 2 2 350.507 0.477 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000498195498 490269090 /nfs/dbraw/zinc/26/90/90/490269090.db2.gz KNYJEIOFTHAYIK-AWEZNQCLSA-N 2 2 360.449 0.810 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498206504 490271220 /nfs/dbraw/zinc/27/12/20/490271220.db2.gz HOCQIZSXTAPSBT-GFCCVEGCSA-N 2 2 355.389 0.219 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CC[NH+](Cc2cccs2)CC1 ZINC000447903552 490286550 /nfs/dbraw/zinc/28/65/50/490286550.db2.gz HQCPAAABEAFGMK-HZPDHXFCSA-N 2 2 353.488 0.522 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CC[NH+](Cc2cccs2)CC1 ZINC000447903550 490287188 /nfs/dbraw/zinc/28/71/88/490287188.db2.gz HQCPAAABEAFGMK-CVEARBPZSA-N 2 2 353.488 0.522 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000521842784 490301666 /nfs/dbraw/zinc/30/16/66/490301666.db2.gz LCZHHIDFFNMQRA-DZGCQCFKSA-N 2 2 363.437 0.605 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)[C@@H](C[NH3+])C1 ZINC000521842784 490301668 /nfs/dbraw/zinc/30/16/68/490301668.db2.gz LCZHHIDFFNMQRA-DZGCQCFKSA-N 2 2 363.437 0.605 20 0 FCADLP C[N@H+](CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000498507960 490303516 /nfs/dbraw/zinc/30/35/16/490303516.db2.gz ZVWGIOQWCGPHRJ-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP C[N@@H+](CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000498507960 490303517 /nfs/dbraw/zinc/30/35/17/490303517.db2.gz ZVWGIOQWCGPHRJ-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CCc1nc(CN2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)no1 ZINC000521881195 490306581 /nfs/dbraw/zinc/30/65/81/490306581.db2.gz TYAOAXLGRSLDCJ-IRXDYDNUSA-N 2 2 359.474 0.681 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000533980111 490306939 /nfs/dbraw/zinc/30/69/39/490306939.db2.gz DNEGSBKEPBSNHE-JKSUJKDBSA-N 2 2 367.538 0.959 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488667 490322124 /nfs/dbraw/zinc/32/21/24/490322124.db2.gz IHHYOMYOTNGVDZ-DLBZAZTESA-N 2 2 374.485 0.980 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488667 490322126 /nfs/dbraw/zinc/32/21/26/490322126.db2.gz IHHYOMYOTNGVDZ-DLBZAZTESA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488667 490322128 /nfs/dbraw/zinc/32/21/28/490322128.db2.gz IHHYOMYOTNGVDZ-DLBZAZTESA-N 2 2 374.485 0.980 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC[C@H]21 ZINC000483488667 490322130 /nfs/dbraw/zinc/32/21/30/490322130.db2.gz IHHYOMYOTNGVDZ-DLBZAZTESA-N 2 2 374.485 0.980 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000467639417 490325221 /nfs/dbraw/zinc/32/52/21/490325221.db2.gz IZXOUWCBMSZXEW-OWCLPIDISA-N 2 2 359.536 0.827 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000467639417 490325231 /nfs/dbraw/zinc/32/52/31/490325231.db2.gz IZXOUWCBMSZXEW-OWCLPIDISA-N 2 2 359.536 0.827 20 0 FCADLP C[NH+](C)CCCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467648430 490326301 /nfs/dbraw/zinc/32/63/01/490326301.db2.gz WTWJZZJSAGPLCS-OAHLLOKOSA-N 2 2 364.471 0.915 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000483803364 490345990 /nfs/dbraw/zinc/34/59/90/490345990.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 2 351.470 0.803 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000483803364 490345992 /nfs/dbraw/zinc/34/59/92/490345992.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 2 351.470 0.803 20 0 FCADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000483803364 490345996 /nfs/dbraw/zinc/34/59/96/490345996.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 2 351.470 0.803 20 0 FCADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000483803364 490345999 /nfs/dbraw/zinc/34/59/99/490345999.db2.gz VRVXTAXLORJXAF-KRWDZBQOSA-N 2 2 351.470 0.803 20 0 FCADLP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000522191794 490351588 /nfs/dbraw/zinc/35/15/88/490351588.db2.gz NVCZSKSLKYSWAH-UHFFFAOYSA-N 2 2 374.489 0.358 20 0 FCADLP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000522191794 490351593 /nfs/dbraw/zinc/35/15/93/490351593.db2.gz NVCZSKSLKYSWAH-UHFFFAOYSA-N 2 2 374.489 0.358 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522189810 490351807 /nfs/dbraw/zinc/35/18/07/490351807.db2.gz MTDFADADUVWFQB-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1)CCC2 ZINC000498854972 490355256 /nfs/dbraw/zinc/35/52/56/490355256.db2.gz MZVXXXRTAZUMIN-MRXNPFEDSA-N 2 2 359.474 0.953 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1)CCC2 ZINC000498854972 490355259 /nfs/dbraw/zinc/35/52/59/490355259.db2.gz MZVXXXRTAZUMIN-MRXNPFEDSA-N 2 2 359.474 0.953 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000410470852 490363951 /nfs/dbraw/zinc/36/39/51/490363951.db2.gz FGXJHCLHQQCARH-PKOBYXMFSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000410470852 490363961 /nfs/dbraw/zinc/36/39/61/490363961.db2.gz FGXJHCLHQQCARH-PKOBYXMFSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410470852 490363965 /nfs/dbraw/zinc/36/39/65/490363965.db2.gz FGXJHCLHQQCARH-PKOBYXMFSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410470852 490363970 /nfs/dbraw/zinc/36/39/70/490363970.db2.gz FGXJHCLHQQCARH-PKOBYXMFSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000483983746 490365866 /nfs/dbraw/zinc/36/58/66/490365866.db2.gz WHBFMGNKVSKGQJ-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000483983746 490365873 /nfs/dbraw/zinc/36/58/73/490365873.db2.gz WHBFMGNKVSKGQJ-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000498951069 490370251 /nfs/dbraw/zinc/37/02/51/490370251.db2.gz VHISNXAPNRQAKK-QGZVFWFLSA-N 2 2 359.474 0.951 20 0 FCADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000498951069 490370258 /nfs/dbraw/zinc/37/02/58/490370258.db2.gz VHISNXAPNRQAKK-QGZVFWFLSA-N 2 2 359.474 0.951 20 0 FCADLP CC(C)OCC[NH+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000468278719 490379233 /nfs/dbraw/zinc/37/92/33/490379233.db2.gz MMJCSNPXEOJFAQ-UHFFFAOYSA-N 2 2 370.538 0.256 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000468280893 490379339 /nfs/dbraw/zinc/37/93/39/490379339.db2.gz LGGYFVWLLUCIFY-KRWDZBQOSA-N 2 2 369.506 0.483 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000509055807 490385021 /nfs/dbraw/zinc/38/50/21/490385021.db2.gz MMHUPBZKFQBTLE-YJBOKZPZSA-N 2 2 359.470 0.578 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000509055807 490385026 /nfs/dbraw/zinc/38/50/26/490385026.db2.gz MMHUPBZKFQBTLE-YJBOKZPZSA-N 2 2 359.470 0.578 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1nc2ccccn2c1=O ZINC000522638430 490390982 /nfs/dbraw/zinc/39/09/82/490390982.db2.gz QDHVKCQTIPARKL-UHFFFAOYSA-N 2 2 374.489 0.371 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1nc2ccccn2c1=O ZINC000522638430 490390988 /nfs/dbraw/zinc/39/09/88/490390988.db2.gz QDHVKCQTIPARKL-UHFFFAOYSA-N 2 2 374.489 0.371 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000484172449 490392323 /nfs/dbraw/zinc/39/23/23/490392323.db2.gz LGBNZKUOSWBAKP-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP COC(=O)Cn1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000449020935 490397605 /nfs/dbraw/zinc/39/76/05/490397605.db2.gz RFBCHELJOVXREA-GASCZTMLSA-N 2 2 365.478 0.772 20 0 FCADLP COC(=O)Cn1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000449020935 490397608 /nfs/dbraw/zinc/39/76/08/490397608.db2.gz RFBCHELJOVXREA-GASCZTMLSA-N 2 2 365.478 0.772 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000411166373 490398705 /nfs/dbraw/zinc/39/87/05/490398705.db2.gz SDZWLBFZPNBXMO-UHFFFAOYSA-N 2 2 354.401 0.999 20 0 FCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000571698870 491323819 /nfs/dbraw/zinc/32/38/19/491323819.db2.gz QWXMMHANZDHFPJ-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000571698870 491323821 /nfs/dbraw/zinc/32/38/21/491323821.db2.gz QWXMMHANZDHFPJ-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP COC(=O)[C@H]1C[NH+](CCC(C)CC[N@@H+]2CCO[C@@H](C(=O)OC)C2)CCO1 ZINC000411221025 490407558 /nfs/dbraw/zinc/40/75/58/490407558.db2.gz HAWUZFOMYLRPTB-HZPDHXFCSA-N 2 2 372.462 0.150 20 0 FCADLP COC(=O)[C@H]1C[NH+](CCC(C)CC[N@H+]2CCO[C@@H](C(=O)OC)C2)CCO1 ZINC000411221025 490407563 /nfs/dbraw/zinc/40/75/63/490407563.db2.gz HAWUZFOMYLRPTB-HZPDHXFCSA-N 2 2 372.462 0.150 20 0 FCADLP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000564755684 491325002 /nfs/dbraw/zinc/32/50/02/491325002.db2.gz NLWUQKRXQQWVRN-HNNXBMFYSA-N 2 2 365.478 0.131 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc(C)[nH+]1 ZINC000422589277 490418528 /nfs/dbraw/zinc/41/85/28/490418528.db2.gz MIOCPNVLEPBZGQ-KRWDZBQOSA-N 2 2 362.474 0.884 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548111994 490422896 /nfs/dbraw/zinc/42/28/96/490422896.db2.gz ULVBDICOXTVAKL-CQSZACIVSA-N 2 2 373.505 0.790 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548111994 490422902 /nfs/dbraw/zinc/42/29/02/490422902.db2.gz ULVBDICOXTVAKL-CQSZACIVSA-N 2 2 373.505 0.790 20 0 FCADLP CC(C)(CC[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422601398 490423127 /nfs/dbraw/zinc/42/31/27/490423127.db2.gz XFBLSZJTXKUZLZ-UHFFFAOYSA-N 2 2 362.478 0.547 20 0 FCADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449747202 490426713 /nfs/dbraw/zinc/42/67/13/490426713.db2.gz VXTLSZYGXZDTSU-MRXNPFEDSA-N 2 2 361.494 0.464 20 0 FCADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449747202 490426717 /nfs/dbraw/zinc/42/67/17/490426717.db2.gz VXTLSZYGXZDTSU-MRXNPFEDSA-N 2 2 361.494 0.464 20 0 FCADLP CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449747201 490426748 /nfs/dbraw/zinc/42/67/48/490426748.db2.gz VXTLSZYGXZDTSU-INIZCTEOSA-N 2 2 361.494 0.464 20 0 FCADLP CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000449747201 490426752 /nfs/dbraw/zinc/42/67/52/490426752.db2.gz VXTLSZYGXZDTSU-INIZCTEOSA-N 2 2 361.494 0.464 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624905 490430784 /nfs/dbraw/zinc/43/07/84/490430784.db2.gz DYODNEXPKAXJFT-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422624905 490430789 /nfs/dbraw/zinc/43/07/89/490430789.db2.gz DYODNEXPKAXJFT-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422634156 490437233 /nfs/dbraw/zinc/43/72/33/490437233.db2.gz JFSANZSEKYGQAT-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422634156 490437238 /nfs/dbraw/zinc/43/72/38/490437238.db2.gz JFSANZSEKYGQAT-JHJVBQTASA-N 2 2 354.476 0.578 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000564787654 491326256 /nfs/dbraw/zinc/32/62/56/491326256.db2.gz KHDBTSZNKAYUJT-UHFFFAOYSA-N 2 2 350.850 0.462 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000564787654 491326258 /nfs/dbraw/zinc/32/62/58/491326258.db2.gz KHDBTSZNKAYUJT-UHFFFAOYSA-N 2 2 350.850 0.462 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411419001 490453991 /nfs/dbraw/zinc/45/39/91/490453991.db2.gz GCWKFGIDUOSUPM-CYBMUJFWSA-N 2 2 359.430 0.576 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411419001 490453997 /nfs/dbraw/zinc/45/39/97/490453997.db2.gz GCWKFGIDUOSUPM-CYBMUJFWSA-N 2 2 359.430 0.576 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC000450253761 490455752 /nfs/dbraw/zinc/45/57/52/490455752.db2.gz PVVCGZXANLWACT-UHFFFAOYSA-N 2 2 356.536 0.987 20 0 FCADLP CCN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)C1=O ZINC000548283712 490457096 /nfs/dbraw/zinc/45/70/96/490457096.db2.gz NXDHOJAQZXQPQX-OAHLLOKOSA-N 2 2 365.522 0.807 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000523353967 490458560 /nfs/dbraw/zinc/45/85/60/490458560.db2.gz PIRXSQOSCXWHSA-IBGZPJMESA-N 2 2 373.501 0.574 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000523353967 490458566 /nfs/dbraw/zinc/45/85/66/490458566.db2.gz PIRXSQOSCXWHSA-IBGZPJMESA-N 2 2 373.501 0.574 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422709176 490462081 /nfs/dbraw/zinc/46/20/81/490462081.db2.gz JXFDLAGHTVSXBA-RTBURBONSA-N 2 2 360.502 0.817 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000422759572 490472299 /nfs/dbraw/zinc/47/22/99/490472299.db2.gz LAIYDXPMHVOERY-LSDHHAIUSA-N 3 2 354.520 0.838 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484907603 490477119 /nfs/dbraw/zinc/47/71/19/490477119.db2.gz PVPGBRBXNBQXMT-KGLIPLIRSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484907603 490477128 /nfs/dbraw/zinc/47/71/28/490477128.db2.gz PVPGBRBXNBQXMT-KGLIPLIRSA-N 2 2 352.504 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)[NH2+]1 ZINC000422826344 490481377 /nfs/dbraw/zinc/48/13/77/490481377.db2.gz QTVGVSAUQWWHIH-IYBDPMFKSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966223 490483046 /nfs/dbraw/zinc/48/30/46/490483046.db2.gz AUPFQMLDAQXUOK-AEFFLSMTSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966223 490483051 /nfs/dbraw/zinc/48/30/51/490483051.db2.gz AUPFQMLDAQXUOK-AEFFLSMTSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422837261 490483633 /nfs/dbraw/zinc/48/36/33/490483633.db2.gz LRUVRSHFTVDYRG-RDJZCZTQSA-N 3 2 354.539 0.970 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000500080695 490483714 /nfs/dbraw/zinc/48/37/14/490483714.db2.gz FEGDNDZSLAZMHX-LJQANCHMSA-N 2 2 360.458 0.934 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)c1ccccc1 ZINC000535381090 490485815 /nfs/dbraw/zinc/48/58/15/490485815.db2.gz UGCPAJZFBWWDBG-LJQANCHMSA-N 2 2 362.518 0.796 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000535381090 490485824 /nfs/dbraw/zinc/48/58/24/490485824.db2.gz UGCPAJZFBWWDBG-LJQANCHMSA-N 2 2 362.518 0.796 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993187 490488319 /nfs/dbraw/zinc/48/83/19/490488319.db2.gz GZNJBQOZSCQDOE-VQIMIIECSA-N 3 2 372.513 0.935 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993187 490488321 /nfs/dbraw/zinc/48/83/21/490488321.db2.gz GZNJBQOZSCQDOE-VQIMIIECSA-N 3 2 372.513 0.935 20 0 FCADLP COc1cc2[nH+]c(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)nc(N)c2cc1OC ZINC000450793564 490489398 /nfs/dbraw/zinc/48/93/98/490489398.db2.gz QFMSAOJHHJTHSH-TXEJJXNPSA-N 2 2 359.430 0.926 20 0 FCADLP COc1cc2[nH+]c(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)nc(N)c2cc1OC ZINC000450793564 490489404 /nfs/dbraw/zinc/48/94/04/490489404.db2.gz QFMSAOJHHJTHSH-TXEJJXNPSA-N 2 2 359.430 0.926 20 0 FCADLP C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)[nH+]c(NC(C)(C)C)n1)[NH+](C)C ZINC000450818986 490491689 /nfs/dbraw/zinc/49/16/89/490491689.db2.gz JPMQGIGWVKHHHE-STQMWFEESA-N 3 2 352.531 0.650 20 0 FCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422910357 490495393 /nfs/dbraw/zinc/49/53/93/490495393.db2.gz HUXGQIMHHGPMFD-KZNAEPCWSA-N 3 2 352.523 0.820 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc[nH+]1 ZINC000413072221 490498268 /nfs/dbraw/zinc/49/82/68/490498268.db2.gz MQIRDQLHRPULHX-BBRMVZONSA-N 2 2 353.492 0.889 20 0 FCADLP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000500290112 490500583 /nfs/dbraw/zinc/50/05/83/490500583.db2.gz STHSGWQQLSKLAN-AWEZNQCLSA-N 2 2 360.414 0.696 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+](C)C1 ZINC000413897096 490505912 /nfs/dbraw/zinc/50/59/12/490505912.db2.gz AEDLDGYMBSTXSF-QAPCUYQASA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+](C)C1 ZINC000413897096 490505925 /nfs/dbraw/zinc/50/59/25/490505925.db2.gz AEDLDGYMBSTXSF-QAPCUYQASA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897096 490505929 /nfs/dbraw/zinc/50/59/29/490505929.db2.gz AEDLDGYMBSTXSF-QAPCUYQASA-N 2 2 359.470 0.996 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+](C)C1 ZINC000413897096 490505934 /nfs/dbraw/zinc/50/59/34/490505934.db2.gz AEDLDGYMBSTXSF-QAPCUYQASA-N 2 2 359.470 0.996 20 0 FCADLP CC[C@H](C)[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1CCN1CCOCC1 ZINC000510363752 490510860 /nfs/dbraw/zinc/51/08/60/490510860.db2.gz TVZYNTADTAUKBV-PMACEKPBSA-N 2 2 368.566 0.683 20 0 FCADLP CC[C@H](C)[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1CCN1CCOCC1 ZINC000510363752 490510864 /nfs/dbraw/zinc/51/08/64/490510864.db2.gz TVZYNTADTAUKBV-PMACEKPBSA-N 2 2 368.566 0.683 20 0 FCADLP CC[C@H](C)[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1CCN1CCOCC1 ZINC000510363756 490511251 /nfs/dbraw/zinc/51/12/51/490511251.db2.gz TVZYNTADTAUKBV-VQTJNVASSA-N 2 2 368.566 0.683 20 0 FCADLP CC[C@H](C)[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1CCN1CCOCC1 ZINC000510363756 490511254 /nfs/dbraw/zinc/51/12/54/490511254.db2.gz TVZYNTADTAUKBV-VQTJNVASSA-N 2 2 368.566 0.683 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423030277 490524510 /nfs/dbraw/zinc/52/45/10/490524510.db2.gz VYDRDCBGVMGTRW-IAGOWNOFSA-N 2 2 374.485 0.418 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423030665 490524908 /nfs/dbraw/zinc/52/49/08/490524908.db2.gz CEQFWIOCZLTNLG-QGZVFWFLSA-N 2 2 374.485 0.537 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1CCOC ZINC000500685080 490543264 /nfs/dbraw/zinc/54/32/64/490543264.db2.gz ZGKVSCIMRKEONO-DLBZAZTESA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1CCOC ZINC000500685080 490543265 /nfs/dbraw/zinc/54/32/65/490543265.db2.gz ZGKVSCIMRKEONO-DLBZAZTESA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685080 490543267 /nfs/dbraw/zinc/54/32/67/490543267.db2.gz ZGKVSCIMRKEONO-DLBZAZTESA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685080 490543269 /nfs/dbraw/zinc/54/32/69/490543269.db2.gz ZGKVSCIMRKEONO-DLBZAZTESA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000524667086 490549684 /nfs/dbraw/zinc/54/96/84/490549684.db2.gz QYLWINNVBFXPRB-DLBZAZTESA-N 3 2 369.554 0.763 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000524667086 490549688 /nfs/dbraw/zinc/54/96/88/490549688.db2.gz QYLWINNVBFXPRB-DLBZAZTESA-N 3 2 369.554 0.763 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000536068995 490550214 /nfs/dbraw/zinc/55/02/14/490550214.db2.gz SERZOZYRQALIAO-LBPRGKRZSA-N 2 2 374.445 0.593 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(=O)[nH]c1=O ZINC000536068995 490550217 /nfs/dbraw/zinc/55/02/17/490550217.db2.gz SERZOZYRQALIAO-LBPRGKRZSA-N 2 2 374.445 0.593 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCCC[NH+]3CCC(O)CC3)ccc2n1C ZINC000524764088 490557316 /nfs/dbraw/zinc/55/73/16/490557316.db2.gz LZSZGYPLPUXITM-UHFFFAOYSA-N 2 2 373.457 0.783 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536307085 490567232 /nfs/dbraw/zinc/56/72/32/490567232.db2.gz XKLGKZUYMWIUEY-ZWKOTPCHSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536307085 490567236 /nfs/dbraw/zinc/56/72/36/490567236.db2.gz XKLGKZUYMWIUEY-ZWKOTPCHSA-N 2 2 362.474 0.253 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000564922412 491336853 /nfs/dbraw/zinc/33/68/53/491336853.db2.gz GRPFLTKEPATLBH-YESZJQIVSA-N 2 2 368.522 0.579 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CC2)cn1 ZINC000564922117 491337134 /nfs/dbraw/zinc/33/71/34/491337134.db2.gz NHPUNAAEGAIRAZ-HXUWFJFHSA-N 2 2 353.470 0.996 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536543385 490588726 /nfs/dbraw/zinc/58/87/26/490588726.db2.gz YCBYMTCKUKPXKH-RDJZCZTQSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536543385 490588728 /nfs/dbraw/zinc/58/87/28/490588728.db2.gz YCBYMTCKUKPXKH-RDJZCZTQSA-N 2 2 365.522 0.713 20 0 FCADLP CC[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000511604604 490607267 /nfs/dbraw/zinc/60/72/67/490607267.db2.gz GPZMTPLZAPGOTJ-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486431994 490625237 /nfs/dbraw/zinc/62/52/37/490625237.db2.gz FFTHBONPSOBFSX-HKUYNNGSSA-N 2 2 356.470 0.903 20 0 FCADLP O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486431994 490625240 /nfs/dbraw/zinc/62/52/40/490625240.db2.gz FFTHBONPSOBFSX-HKUYNNGSSA-N 2 2 356.470 0.903 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486442444 490626284 /nfs/dbraw/zinc/62/62/84/490626284.db2.gz OTNLHDZIZGGESH-MRXNPFEDSA-N 2 2 373.457 0.010 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486442444 490626288 /nfs/dbraw/zinc/62/62/88/490626288.db2.gz OTNLHDZIZGGESH-MRXNPFEDSA-N 2 2 373.457 0.010 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501623848 490626570 /nfs/dbraw/zinc/62/65/70/490626570.db2.gz MJUANTQUVLSAFD-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501623848 490626575 /nfs/dbraw/zinc/62/65/75/490626575.db2.gz MJUANTQUVLSAFD-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000550125319 490628913 /nfs/dbraw/zinc/62/89/13/490628913.db2.gz WNZGODXIRRPBPB-AWEZNQCLSA-N 2 2 355.442 0.814 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000550125319 490628915 /nfs/dbraw/zinc/62/89/15/490628915.db2.gz WNZGODXIRRPBPB-AWEZNQCLSA-N 2 2 355.442 0.814 20 0 FCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453328 490629438 /nfs/dbraw/zinc/62/94/38/490629438.db2.gz DXMMIQVDHDZUTH-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453328 490629443 /nfs/dbraw/zinc/62/94/43/490629443.db2.gz DXMMIQVDHDZUTH-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000486455684 490630855 /nfs/dbraw/zinc/63/08/55/490630855.db2.gz BMSPMANDTHHBIP-ZDUSSCGKSA-N 2 2 352.385 0.800 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000486455684 490630862 /nfs/dbraw/zinc/63/08/62/490630862.db2.gz BMSPMANDTHHBIP-ZDUSSCGKSA-N 2 2 352.385 0.800 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501649595 490630863 /nfs/dbraw/zinc/63/08/63/490630863.db2.gz UCEAOBALTJMZPF-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501649595 490630869 /nfs/dbraw/zinc/63/08/69/490630869.db2.gz UCEAOBALTJMZPF-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486458586 490631101 /nfs/dbraw/zinc/63/11/01/490631101.db2.gz IYVOQSBBUKZIIA-MJGOQNOKSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486458586 490631109 /nfs/dbraw/zinc/63/11/09/490631109.db2.gz IYVOQSBBUKZIIA-MJGOQNOKSA-N 2 2 372.513 0.938 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccnn1C1CCCC1 ZINC000486459924 490632402 /nfs/dbraw/zinc/63/24/02/490632402.db2.gz VYQLSLODZOZZBQ-INIZCTEOSA-N 2 2 374.489 0.833 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccnn1C1CCCC1 ZINC000486459924 490632408 /nfs/dbraw/zinc/63/24/08/490632408.db2.gz VYQLSLODZOZZBQ-INIZCTEOSA-N 2 2 374.489 0.833 20 0 FCADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459301 490633470 /nfs/dbraw/zinc/63/34/70/490633470.db2.gz KSJSXMUGAHMBAY-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459301 490633477 /nfs/dbraw/zinc/63/34/77/490633477.db2.gz KSJSXMUGAHMBAY-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486465801 490635697 /nfs/dbraw/zinc/63/56/97/490635697.db2.gz XMTSWRWKAYXFNM-MRXNPFEDSA-N 2 2 360.458 0.920 20 0 FCADLP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486465801 490635700 /nfs/dbraw/zinc/63/57/00/490635700.db2.gz XMTSWRWKAYXFNM-MRXNPFEDSA-N 2 2 360.458 0.920 20 0 FCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486462889 490635789 /nfs/dbraw/zinc/63/57/89/490635789.db2.gz QZSUBJROTLDYFM-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486462889 490635791 /nfs/dbraw/zinc/63/57/91/490635791.db2.gz QZSUBJROTLDYFM-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471830 490636374 /nfs/dbraw/zinc/63/63/74/490636374.db2.gz RVVLWGQERODJJR-KBPBESRZSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471830 490636381 /nfs/dbraw/zinc/63/63/81/490636381.db2.gz RVVLWGQERODJJR-KBPBESRZSA-N 2 2 350.488 0.822 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471450 490636831 /nfs/dbraw/zinc/63/68/31/490636831.db2.gz RJHJJBMDBZWXLI-GDBMZVCRSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471450 490636835 /nfs/dbraw/zinc/63/68/35/490636835.db2.gz RJHJJBMDBZWXLI-GDBMZVCRSA-N 2 2 360.458 0.918 20 0 FCADLP CC[C@H](c1nnc(SCC(=O)OC)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000501722657 490637332 /nfs/dbraw/zinc/63/73/32/490637332.db2.gz VWXBSLAYFCTKMB-CYBMUJFWSA-N 2 2 371.507 0.888 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)C[C@H](C)O1 ZINC000564975030 491342183 /nfs/dbraw/zinc/34/21/83/491342183.db2.gz FWLYNJIPBVYSBD-CWQOZTLDSA-N 2 2 356.507 0.756 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)C[C@H](C)O1 ZINC000564975030 491342184 /nfs/dbraw/zinc/34/21/84/491342184.db2.gz FWLYNJIPBVYSBD-CWQOZTLDSA-N 2 2 356.507 0.756 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000511965239 490644438 /nfs/dbraw/zinc/64/44/38/490644438.db2.gz QDHZUJJFJJMOMI-OAHLLOKOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000511965239 490644445 /nfs/dbraw/zinc/64/44/45/490644445.db2.gz QDHZUJJFJJMOMI-OAHLLOKOSA-N 2 2 368.522 0.402 20 0 FCADLP COc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1OCCO ZINC000537075142 490644398 /nfs/dbraw/zinc/64/43/98/490644398.db2.gz IJSXXJHHHWUJBP-CQSZACIVSA-N 2 2 351.447 0.491 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000511965237 490644940 /nfs/dbraw/zinc/64/49/40/490644940.db2.gz QDHZUJJFJJMOMI-HNNXBMFYSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000511965237 490644945 /nfs/dbraw/zinc/64/49/45/490644945.db2.gz QDHZUJJFJJMOMI-HNNXBMFYSA-N 2 2 368.522 0.402 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)c1ccccc1 ZINC000550234996 490646071 /nfs/dbraw/zinc/64/60/71/490646071.db2.gz QQGCIFBAJSRZJG-INIZCTEOSA-N 2 2 373.457 0.320 20 0 FCADLP C[C@@H]1C[NH+](CCN2[C@H](C)C[N@H+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000501849450 490647057 /nfs/dbraw/zinc/64/70/57/490647057.db2.gz GRPBMTYXRPAKSZ-ZGXWSNOMSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[NH+](CCN2[C@H](C)C[N@@H+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000501849450 490647061 /nfs/dbraw/zinc/64/70/61/490647061.db2.gz GRPBMTYXRPAKSZ-ZGXWSNOMSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[N@H+](CCN2[C@H](C)C[NH+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000501849450 490647064 /nfs/dbraw/zinc/64/70/64/490647064.db2.gz GRPBMTYXRPAKSZ-ZGXWSNOMSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2[C@H](C)C[NH+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000501849450 490647066 /nfs/dbraw/zinc/64/70/66/490647066.db2.gz GRPBMTYXRPAKSZ-ZGXWSNOMSA-N 2 2 368.566 0.822 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277472 490651255 /nfs/dbraw/zinc/65/12/55/490651255.db2.gz NTYHLONCPAETDY-CVEARBPZSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277472 490651258 /nfs/dbraw/zinc/65/12/58/490651258.db2.gz NTYHLONCPAETDY-CVEARBPZSA-N 2 2 356.511 0.306 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572013088 491342757 /nfs/dbraw/zinc/34/27/57/491342757.db2.gz GJEGIGQDLCCTKI-MRXNPFEDSA-N 2 2 370.457 0.483 20 0 FCADLP Cn1c2ccc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2oc1=O ZINC000512116848 490660059 /nfs/dbraw/zinc/66/00/59/490660059.db2.gz WPZOBNKYIJEIKY-HNNXBMFYSA-N 2 2 374.441 0.154 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359969 490664369 /nfs/dbraw/zinc/66/43/69/490664369.db2.gz OYACDYBGKVJUNT-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359969 490664374 /nfs/dbraw/zinc/66/43/74/490664374.db2.gz OYACDYBGKVJUNT-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c1 ZINC000564987669 491343996 /nfs/dbraw/zinc/34/39/96/491343996.db2.gz DVFOUNLDHXQZQD-BYCMXARLSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])c1 ZINC000564987669 491343997 /nfs/dbraw/zinc/34/39/97/491343997.db2.gz DVFOUNLDHXQZQD-BYCMXARLSA-N 2 2 352.460 0.332 20 0 FCADLP C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000526064522 490671743 /nfs/dbraw/zinc/67/17/43/490671743.db2.gz CTPKFSRUKLAEPZ-XXBHRLPUSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000526064522 490671747 /nfs/dbraw/zinc/67/17/47/490671747.db2.gz CTPKFSRUKLAEPZ-XXBHRLPUSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000526064522 490671748 /nfs/dbraw/zinc/67/17/48/490671748.db2.gz CTPKFSRUKLAEPZ-XXBHRLPUSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000526064522 490671752 /nfs/dbraw/zinc/67/17/52/490671752.db2.gz CTPKFSRUKLAEPZ-XXBHRLPUSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000550495737 490674555 /nfs/dbraw/zinc/67/45/55/490674555.db2.gz ZGPFMBDJTCUJKE-INIZCTEOSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000512370390 490677853 /nfs/dbraw/zinc/67/78/53/490677853.db2.gz QDUSIISHALBISM-RBUKOAKNSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000512370390 490677854 /nfs/dbraw/zinc/67/78/54/490677854.db2.gz QDUSIISHALBISM-RBUKOAKNSA-N 2 2 361.486 0.850 20 0 FCADLP COCCO[C@H]1COCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000486891506 490679405 /nfs/dbraw/zinc/67/94/05/490679405.db2.gz CFOQYAMHYZQGSV-SJORKVTESA-N 2 2 372.510 0.132 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCOCC3)CCN2C1=O ZINC000572060674 491346322 /nfs/dbraw/zinc/34/63/22/491346322.db2.gz RVNGTURSHONWLA-HOTGVXAUSA-N 2 2 373.457 0.295 20 0 FCADLP O=C(NCC[NH+]1CCC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000502573513 490710664 /nfs/dbraw/zinc/71/06/64/490710664.db2.gz DMFYDNKGGQKISB-UHFFFAOYSA-N 2 2 362.474 0.903 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000502627706 490712752 /nfs/dbraw/zinc/71/27/52/490712752.db2.gz ZAUAXFKGFYWMPY-CRAIPNDOSA-N 2 2 374.489 0.913 20 0 FCADLP O=S1(=O)CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000538218279 490720082 /nfs/dbraw/zinc/72/00/82/490720082.db2.gz SUCYJWKXIVODQL-INIZCTEOSA-N 2 2 367.519 0.546 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502851743 490725439 /nfs/dbraw/zinc/72/54/39/490725439.db2.gz SFETZBCTMYEYEW-BZUAXINKSA-N 2 2 359.474 0.623 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000502919419 490729709 /nfs/dbraw/zinc/72/97/09/490729709.db2.gz OVPPASWWLHXBDR-IYBDPMFKSA-N 2 2 364.494 0.736 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000502919419 490729712 /nfs/dbraw/zinc/72/97/12/490729712.db2.gz OVPPASWWLHXBDR-IYBDPMFKSA-N 2 2 364.494 0.736 20 0 FCADLP Cc1cc(C[NH+]2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000513485253 490733858 /nfs/dbraw/zinc/73/38/58/490733858.db2.gz OZYMYTSHEJZRHN-BBWFWOEESA-N 2 2 352.479 0.571 20 0 FCADLP Cc1cc(C[NH+]2CCN(C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000513485253 490733860 /nfs/dbraw/zinc/73/38/60/490733860.db2.gz OZYMYTSHEJZRHN-BBWFWOEESA-N 2 2 352.479 0.571 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513499129 490735654 /nfs/dbraw/zinc/73/56/54/490735654.db2.gz LDHVNUKNKLYHJW-HUUCEWRRSA-N 2 2 356.511 0.258 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000557050118 491350833 /nfs/dbraw/zinc/35/08/33/491350833.db2.gz IBZHCNXYLOLLPB-UHFFFAOYSA-N 2 2 356.430 1.463 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@@H]1OC ZINC000487964029 490738808 /nfs/dbraw/zinc/73/88/08/490738808.db2.gz OEHPYJDWOOLBMR-KDURUIRLSA-N 2 2 361.486 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@@H]1OC ZINC000487964029 490738812 /nfs/dbraw/zinc/73/88/12/490738812.db2.gz OEHPYJDWOOLBMR-KDURUIRLSA-N 2 2 361.486 0.985 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCN(c2cnccn2)CC1 ZINC000488223180 490751144 /nfs/dbraw/zinc/75/11/44/490751144.db2.gz SLLMJBDZILABFY-KRWDZBQOSA-N 2 2 368.441 0.674 20 0 FCADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCN(c2cnccn2)CC1 ZINC000488223180 490751146 /nfs/dbraw/zinc/75/11/46/490751146.db2.gz SLLMJBDZILABFY-KRWDZBQOSA-N 2 2 368.441 0.674 20 0 FCADLP Cc1nsc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000538937610 490758182 /nfs/dbraw/zinc/75/81/82/490758182.db2.gz ZLICPXRGTGQQIO-UHFFFAOYSA-N 2 2 352.508 0.521 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000572155938 491352964 /nfs/dbraw/zinc/35/29/64/491352964.db2.gz XVDXEMOSZNLORA-GOEBONIOSA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000572155938 491352965 /nfs/dbraw/zinc/35/29/65/491352965.db2.gz XVDXEMOSZNLORA-GOEBONIOSA-N 2 2 363.462 0.422 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3Cc4ccccc4NC3=O)cn2)CC1 ZINC000527800452 490760843 /nfs/dbraw/zinc/76/08/43/490760843.db2.gz NTEIHGZWADGLTA-KRWDZBQOSA-N 2 2 352.442 0.881 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488868119 490779330 /nfs/dbraw/zinc/77/93/30/490779330.db2.gz PQLXBEFMSWSUIE-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488868119 490779333 /nfs/dbraw/zinc/77/93/33/490779333.db2.gz PQLXBEFMSWSUIE-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488868147 490779543 /nfs/dbraw/zinc/77/95/43/490779543.db2.gz PQLXBEFMSWSUIE-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488868147 490779550 /nfs/dbraw/zinc/77/95/50/490779550.db2.gz PQLXBEFMSWSUIE-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCn2cc(Br)cn2)C[C@@H](C)O1 ZINC000566128327 491419436 /nfs/dbraw/zinc/41/94/36/491419436.db2.gz AHYJPSDFUQKCGH-BZPMIXESSA-N 2 2 361.284 0.705 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cnc(N3CCCC3)nc2)CN1CC[NH+]1CCOCC1 ZINC000539703732 490792555 /nfs/dbraw/zinc/79/25/55/490792555.db2.gz ZIHCAUJGMIQOAZ-KRWDZBQOSA-N 2 2 374.489 0.100 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876290 490794988 /nfs/dbraw/zinc/79/49/88/490794988.db2.gz FHNHIIRYAURIHL-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876290 490794991 /nfs/dbraw/zinc/79/49/91/490794991.db2.gz FHNHIIRYAURIHL-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876290 490794992 /nfs/dbraw/zinc/79/49/92/490794992.db2.gz FHNHIIRYAURIHL-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876290 490794995 /nfs/dbraw/zinc/79/49/95/490794995.db2.gz FHNHIIRYAURIHL-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572226967 491356866 /nfs/dbraw/zinc/35/68/66/491356866.db2.gz VIBQTDRZSDOBLZ-HLLBOEOZSA-N 2 2 354.520 0.588 20 0 FCADLP CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528617141 490813498 /nfs/dbraw/zinc/81/34/98/490813498.db2.gz AGQMXZINODQEMW-GOSISDBHSA-N 2 2 362.474 0.649 20 0 FCADLP CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528617141 490813500 /nfs/dbraw/zinc/81/35/00/490813500.db2.gz AGQMXZINODQEMW-GOSISDBHSA-N 2 2 362.474 0.649 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000528728557 490822864 /nfs/dbraw/zinc/82/28/64/490822864.db2.gz CHMYETTXLVMSMW-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000528728557 490822867 /nfs/dbraw/zinc/82/28/67/490822867.db2.gz CHMYETTXLVMSMW-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000557183068 491358170 /nfs/dbraw/zinc/35/81/70/491358170.db2.gz FFKYFHCKSVTWDS-DLBZAZTESA-N 2 2 362.474 0.947 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCS3(=O)=O)CC2)CC1 ZINC000515387873 490823558 /nfs/dbraw/zinc/82/35/58/490823558.db2.gz KYVAWUFJKCIDFI-KRWDZBQOSA-N 2 2 371.547 0.876 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000540738028 490834637 /nfs/dbraw/zinc/83/46/37/490834637.db2.gz SNHKSDFMZSPXGY-UHFFFAOYSA-N 2 2 362.540 0.300 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000540738028 490834640 /nfs/dbraw/zinc/83/46/40/490834640.db2.gz SNHKSDFMZSPXGY-UHFFFAOYSA-N 2 2 362.540 0.300 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000515810831 490839430 /nfs/dbraw/zinc/83/94/30/490839430.db2.gz IXYZESAXYFWWSS-ZXYDQQDNSA-N 2 2 357.502 0.931 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529311515 490849751 /nfs/dbraw/zinc/84/97/51/490849751.db2.gz VYTLHEXCRRIVRH-INIZCTEOSA-N 2 2 363.506 0.515 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182095 490854991 /nfs/dbraw/zinc/85/49/91/490854991.db2.gz ISBQOZHGSDHVOE-ZWKOTPCHSA-N 2 2 370.497 0.949 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182095 490854992 /nfs/dbraw/zinc/85/49/92/490854992.db2.gz ISBQOZHGSDHVOE-ZWKOTPCHSA-N 2 2 370.497 0.949 20 0 FCADLP COC(=O)[C@H]1CC12CC[NH+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000506212408 490856073 /nfs/dbraw/zinc/85/60/73/490856073.db2.gz YVNCXJJUPLUTHG-OAHLLOKOSA-N 2 2 367.490 0.489 20 0 FCADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000541258256 490856992 /nfs/dbraw/zinc/85/69/92/490856992.db2.gz PMPZCBWNGYNPAO-DOTOQJQBSA-N 2 2 362.474 0.544 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000516562187 490867991 /nfs/dbraw/zinc/86/79/91/490867991.db2.gz DFTGEZMFJHRWSM-OKZBNKHCSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000516562187 490867993 /nfs/dbraw/zinc/86/79/93/490867993.db2.gz DFTGEZMFJHRWSM-OKZBNKHCSA-N 2 2 356.470 0.712 20 0 FCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000516568498 490868531 /nfs/dbraw/zinc/86/85/31/490868531.db2.gz HVYGQBPSWAYHLU-UHFFFAOYSA-N 2 2 366.429 0.640 20 0 FCADLP Cc1cccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCOCC2)c1 ZINC000516747867 490876242 /nfs/dbraw/zinc/87/62/42/490876242.db2.gz YOQFIONRSVUONK-MSOLQXFVSA-N 2 2 362.474 0.656 20 0 FCADLP Cc1cccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCOCC2)c1 ZINC000516747869 490876444 /nfs/dbraw/zinc/87/64/44/490876444.db2.gz YOQFIONRSVUONK-ROUUACIJSA-N 2 2 362.474 0.656 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C[NH3+])C1 ZINC000516916121 490884312 /nfs/dbraw/zinc/88/43/12/490884312.db2.gz QZDCJGFCSGFIBG-AWEZNQCLSA-N 2 2 373.457 0.347 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)n1C ZINC000572269132 491359585 /nfs/dbraw/zinc/35/95/85/491359585.db2.gz FCADOCJCNFXTDO-AWEZNQCLSA-N 2 2 364.494 0.339 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1C ZINC000572269132 491359586 /nfs/dbraw/zinc/35/95/86/491359586.db2.gz FCADOCJCNFXTDO-AWEZNQCLSA-N 2 2 364.494 0.339 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000516986386 490889213 /nfs/dbraw/zinc/88/92/13/490889213.db2.gz HFCZVWKMAZIWRE-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000516986386 490889215 /nfs/dbraw/zinc/88/92/15/490889215.db2.gz HFCZVWKMAZIWRE-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000517044388 490892714 /nfs/dbraw/zinc/89/27/14/490892714.db2.gz ZFZIUZSUGMEMSN-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000517044388 490892716 /nfs/dbraw/zinc/89/27/16/490892716.db2.gz ZFZIUZSUGMEMSN-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CC[NH2+]CC3(C)C)ccn2)CC1 ZINC000517092609 490895047 /nfs/dbraw/zinc/89/50/47/490895047.db2.gz GXPOTKSKZCWEEV-MRXNPFEDSA-N 2 2 374.489 0.979 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243396 490895193 /nfs/dbraw/zinc/89/51/93/490895193.db2.gz XSUBYMOWFIUEMG-WMZOPIPTSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361245 490901692 /nfs/dbraw/zinc/90/16/92/490901692.db2.gz NMGVYQCWJWDFTC-YJBOKZPZSA-N 2 2 359.470 0.721 20 0 FCADLP C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361245 490901695 /nfs/dbraw/zinc/90/16/95/490901695.db2.gz NMGVYQCWJWDFTC-YJBOKZPZSA-N 2 2 359.470 0.721 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000572345852 491363684 /nfs/dbraw/zinc/36/36/84/491363684.db2.gz NOIXSXOTPOHWOQ-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000517710797 490917852 /nfs/dbraw/zinc/91/78/52/490917852.db2.gz AQJSRVBMOMLGOT-INIZCTEOSA-N 2 2 364.490 0.546 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000517710797 490917853 /nfs/dbraw/zinc/91/78/53/490917853.db2.gz AQJSRVBMOMLGOT-INIZCTEOSA-N 2 2 364.490 0.546 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530661069 490918351 /nfs/dbraw/zinc/91/83/51/490918351.db2.gz AJOKKYOLWDKJIQ-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000530661069 490918353 /nfs/dbraw/zinc/91/83/53/490918353.db2.gz AJOKKYOLWDKJIQ-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)CC1 ZINC000543012089 490918921 /nfs/dbraw/zinc/91/89/21/490918921.db2.gz SQOCHHGFDBMSMK-QGZVFWFLSA-N 2 2 350.507 0.480 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)n1C ZINC000530723559 490921263 /nfs/dbraw/zinc/92/12/63/490921263.db2.gz KIKXRCPZCZNCFC-UHFFFAOYSA-N 2 2 364.494 0.740 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000543106891 490922401 /nfs/dbraw/zinc/92/24/01/490922401.db2.gz KCPSKVSLHIKAFP-INIZCTEOSA-N 2 2 369.506 0.874 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000543106891 490922403 /nfs/dbraw/zinc/92/24/03/490922403.db2.gz KCPSKVSLHIKAFP-INIZCTEOSA-N 2 2 369.506 0.874 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000517885082 490923930 /nfs/dbraw/zinc/92/39/30/490923930.db2.gz UZTUAMCYAHPPAJ-GOEBONIOSA-N 2 2 350.463 0.928 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000517885082 490923933 /nfs/dbraw/zinc/92/39/33/490923933.db2.gz UZTUAMCYAHPPAJ-GOEBONIOSA-N 2 2 350.463 0.928 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000572401601 491368012 /nfs/dbraw/zinc/36/80/12/491368012.db2.gz SOLFZVXMAJVQSG-LLVKDONJSA-N 2 2 356.373 0.119 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000572401601 491368013 /nfs/dbraw/zinc/36/80/13/491368013.db2.gz SOLFZVXMAJVQSG-LLVKDONJSA-N 2 2 356.373 0.119 20 0 FCADLP Cc1cccn2cc(CC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)[nH+]c12 ZINC000518318000 490936369 /nfs/dbraw/zinc/93/63/69/490936369.db2.gz BDQGBMWLXDUFPA-UHFFFAOYSA-N 2 2 357.458 0.854 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000518745073 490949926 /nfs/dbraw/zinc/94/99/26/490949926.db2.gz YELFVOCWQTUIPJ-ZIAGYGMSSA-N 2 2 359.474 0.919 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000518745073 490949929 /nfs/dbraw/zinc/94/99/29/490949929.db2.gz YELFVOCWQTUIPJ-ZIAGYGMSSA-N 2 2 359.474 0.919 20 0 FCADLP CC(=O)N1CC[C@@](C)(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000531324167 490952246 /nfs/dbraw/zinc/95/22/46/490952246.db2.gz MTYQIOVTWUUQHT-LJQANCHMSA-N 2 2 350.507 0.920 20 0 FCADLP CN1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000531364874 490953896 /nfs/dbraw/zinc/95/38/96/490953896.db2.gz BISQOZFGTWNWBQ-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP COC(=O)COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000531370288 490954595 /nfs/dbraw/zinc/95/45/95/490954595.db2.gz VLWVEHIQRMCZHT-UHFFFAOYSA-N 2 2 363.458 0.994 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000519007610 490958974 /nfs/dbraw/zinc/95/89/74/490958974.db2.gz ZITDXTLCYVSLMP-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000519007610 490958975 /nfs/dbraw/zinc/95/89/75/490958975.db2.gz ZITDXTLCYVSLMP-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000519007610 490958976 /nfs/dbraw/zinc/95/89/76/490958976.db2.gz ZITDXTLCYVSLMP-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000519007610 490958977 /nfs/dbraw/zinc/95/89/77/490958977.db2.gz ZITDXTLCYVSLMP-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000519208011 490965227 /nfs/dbraw/zinc/96/52/27/490965227.db2.gz NMSYJJCUPJKLBV-OAHLLOKOSA-N 2 2 363.462 0.643 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000519208011 490965228 /nfs/dbraw/zinc/96/52/28/490965228.db2.gz NMSYJJCUPJKLBV-OAHLLOKOSA-N 2 2 363.462 0.643 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572396915 491367375 /nfs/dbraw/zinc/36/73/75/491367375.db2.gz YPRSXEIRKXUPCS-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572396915 491367378 /nfs/dbraw/zinc/36/73/78/491367378.db2.gz YPRSXEIRKXUPCS-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000572400002 491367582 /nfs/dbraw/zinc/36/75/82/491367582.db2.gz KSYKMSDFUXGRNV-HZPDHXFCSA-N 2 2 359.474 0.788 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744584 490987972 /nfs/dbraw/zinc/98/79/72/490987972.db2.gz NCCWHHXDBUZRTI-JFIYKMOQSA-N 2 2 366.506 0.296 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744584 490987975 /nfs/dbraw/zinc/98/79/75/490987975.db2.gz NCCWHHXDBUZRTI-JFIYKMOQSA-N 2 2 366.506 0.296 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000532136360 490988706 /nfs/dbraw/zinc/98/87/06/490988706.db2.gz SZQCIMCLHKYITE-MRXNPFEDSA-N 2 2 355.527 0.157 20 0 FCADLP [NH3+][C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000565301263 491368234 /nfs/dbraw/zinc/36/82/34/491368234.db2.gz PKBDANIUHBIRFC-KRWDZBQOSA-N 2 2 366.412 0.731 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000668348049 493335168 /nfs/dbraw/zinc/33/51/68/493335168.db2.gz LEGAGPLUGZZDQU-ROUUACIJSA-N 2 2 374.485 0.339 20 0 FCADLP O=C(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)NCC[NH+]1CCOCC1 ZINC000554016575 491170638 /nfs/dbraw/zinc/17/06/38/491170638.db2.gz JMNQCXDEOHPBFY-UHFFFAOYSA-N 2 2 371.441 0.110 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554056825 491173537 /nfs/dbraw/zinc/17/35/37/491173537.db2.gz KQXPTPDGFKSOAM-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554056825 491173540 /nfs/dbraw/zinc/17/35/40/491173540.db2.gz KQXPTPDGFKSOAM-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554062143 491174322 /nfs/dbraw/zinc/17/43/22/491174322.db2.gz RTGRBACTUPQSSH-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000569674446 491180799 /nfs/dbraw/zinc/18/07/99/491180799.db2.gz PXACSTURFXIZFC-CABCVRRESA-N 2 2 374.489 0.918 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000562689608 491181009 /nfs/dbraw/zinc/18/10/09/491181009.db2.gz ARSDNJKBYHJCDW-AWEZNQCLSA-N 2 2 350.467 0.025 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000557379660 491370810 /nfs/dbraw/zinc/37/08/10/491370810.db2.gz MUCDJOXJOMSRTO-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000557379660 491370812 /nfs/dbraw/zinc/37/08/12/491370812.db2.gz MUCDJOXJOMSRTO-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP C[NH+]1CCN(CC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000683252897 493341269 /nfs/dbraw/zinc/34/12/69/493341269.db2.gz AMDQYXMYSXESCZ-SFHVURJKSA-N 2 2 362.543 0.968 20 0 FCADLP C[NH+]1CCN(CC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000683252897 493341270 /nfs/dbraw/zinc/34/12/70/493341270.db2.gz AMDQYXMYSXESCZ-SFHVURJKSA-N 2 2 362.543 0.968 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000565488714 491379927 /nfs/dbraw/zinc/37/99/27/491379927.db2.gz DSLYMUISGVKVKO-BJZITVGISA-N 2 2 374.489 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000565488714 491379928 /nfs/dbraw/zinc/37/99/28/491379928.db2.gz DSLYMUISGVKVKO-BJZITVGISA-N 2 2 374.489 0.867 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000565560997 491385112 /nfs/dbraw/zinc/38/51/12/491385112.db2.gz QLBDPHGLOHJOBB-HNNXBMFYSA-N 2 2 370.563 0.873 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000557581030 491385224 /nfs/dbraw/zinc/38/52/24/491385224.db2.gz KAXIOWYKDBJGLD-KGLIPLIRSA-N 2 2 372.473 0.970 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000660280925 493339005 /nfs/dbraw/zinc/33/90/05/493339005.db2.gz KQONFYXAHWAAIP-HOTGVXAUSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000660280925 493339008 /nfs/dbraw/zinc/33/90/08/493339008.db2.gz KQONFYXAHWAAIP-HOTGVXAUSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000557705699 491392395 /nfs/dbraw/zinc/39/23/95/491392395.db2.gz QVKWUONCIMULCF-JONQDZQNSA-N 2 2 354.495 0.201 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000557743313 491395132 /nfs/dbraw/zinc/39/51/32/491395132.db2.gz WERZMECVYQJTQB-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000557743313 491395133 /nfs/dbraw/zinc/39/51/33/491395133.db2.gz WERZMECVYQJTQB-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC000557743313 491395136 /nfs/dbraw/zinc/39/51/36/491395136.db2.gz WERZMECVYQJTQB-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC000557743313 491395137 /nfs/dbraw/zinc/39/51/37/491395137.db2.gz WERZMECVYQJTQB-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000565825764 491401268 /nfs/dbraw/zinc/40/12/68/491401268.db2.gz IXWWKSPDYKXIJN-HUUCEWRRSA-N 2 2 364.494 0.461 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1)N1CCCC1 ZINC000572996082 491406357 /nfs/dbraw/zinc/40/63/57/491406357.db2.gz IFODVPYOZIUJPM-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1)N1CCCC1 ZINC000572996082 491406359 /nfs/dbraw/zinc/40/63/59/491406359.db2.gz IFODVPYOZIUJPM-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000566195831 491425082 /nfs/dbraw/zinc/42/50/82/491425082.db2.gz PMOKFYBYBGIXOE-MSOLQXFVSA-N 2 2 374.485 0.296 20 0 FCADLP CN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH2+]CC1 ZINC000566203962 491425261 /nfs/dbraw/zinc/42/52/61/491425261.db2.gz AGGBHGNVXOKNHK-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000558458579 491431501 /nfs/dbraw/zinc/43/15/01/491431501.db2.gz SDFKAJMMKRZXRK-SFHVURJKSA-N 3 2 368.566 0.858 20 0 FCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000558458579 491431504 /nfs/dbraw/zinc/43/15/04/491431504.db2.gz SDFKAJMMKRZXRK-SFHVURJKSA-N 3 2 368.566 0.858 20 0 FCADLP COCCOc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1OC ZINC000573425791 491432001 /nfs/dbraw/zinc/43/20/01/491432001.db2.gz BXULCPCFKNRILZ-AWEZNQCLSA-N 2 2 352.435 0.827 20 0 FCADLP COCCOc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1OC ZINC000573425791 491432003 /nfs/dbraw/zinc/43/20/03/491432003.db2.gz BXULCPCFKNRILZ-AWEZNQCLSA-N 2 2 352.435 0.827 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374508 493343126 /nfs/dbraw/zinc/34/31/26/493343126.db2.gz WAJPTRSYPFWCRI-KBPBESRZSA-N 2 2 359.465 0.794 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374508 493343127 /nfs/dbraw/zinc/34/31/27/493343127.db2.gz WAJPTRSYPFWCRI-KBPBESRZSA-N 2 2 359.465 0.794 20 0 FCADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000566482382 491446792 /nfs/dbraw/zinc/44/67/92/491446792.db2.gz NGRNCRPFVDMFPK-CQSZACIVSA-N 2 2 353.430 0.777 20 0 FCADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000566482382 491446793 /nfs/dbraw/zinc/44/67/93/491446793.db2.gz NGRNCRPFVDMFPK-CQSZACIVSA-N 2 2 353.430 0.777 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000566474351 491446804 /nfs/dbraw/zinc/44/68/04/491446804.db2.gz FKILAQQMKZBIGY-UHFFFAOYSA-N 2 2 351.495 0.502 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000573675009 491447681 /nfs/dbraw/zinc/44/76/81/491447681.db2.gz ZHDNGNSVUOUGSE-BQJWPVKWSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H](CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)n1cc[nH+]c1 ZINC000573809246 491456548 /nfs/dbraw/zinc/45/65/48/491456548.db2.gz YPFJOMZTLNXYBU-MRXNPFEDSA-N 2 2 357.462 0.953 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000573867765 491459994 /nfs/dbraw/zinc/45/99/94/491459994.db2.gz SJVWEVDTEJGWEX-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000566732522 491463494 /nfs/dbraw/zinc/46/34/94/491463494.db2.gz ATBXAVQLZLQCJG-DLBZAZTESA-N 2 2 365.474 0.438 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000559350756 491466293 /nfs/dbraw/zinc/46/62/93/491466293.db2.gz AKHUKQCVRRQYAF-GJZGRUSLSA-N 2 2 356.511 0.448 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000559350757 491466582 /nfs/dbraw/zinc/46/65/82/491466582.db2.gz AKHUKQCVRRQYAF-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000566787011 491466731 /nfs/dbraw/zinc/46/67/31/491466731.db2.gz QILNPKTXZMJAAY-DAWZGUTISA-N 2 2 367.538 0.613 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000566787011 491466732 /nfs/dbraw/zinc/46/67/32/491466732.db2.gz QILNPKTXZMJAAY-DAWZGUTISA-N 2 2 367.538 0.613 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000566787011 491466735 /nfs/dbraw/zinc/46/67/35/491466735.db2.gz QILNPKTXZMJAAY-DAWZGUTISA-N 2 2 367.538 0.613 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000566787011 491466738 /nfs/dbraw/zinc/46/67/38/491466738.db2.gz QILNPKTXZMJAAY-DAWZGUTISA-N 2 2 367.538 0.613 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000559377517 491468342 /nfs/dbraw/zinc/46/83/42/491468342.db2.gz GHADULKRISDKAQ-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000559377517 491468345 /nfs/dbraw/zinc/46/83/45/491468345.db2.gz GHADULKRISDKAQ-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559383341 491468928 /nfs/dbraw/zinc/46/89/28/491468928.db2.gz IPHVDWAKNAFUBA-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559383341 491468931 /nfs/dbraw/zinc/46/89/31/491468931.db2.gz IPHVDWAKNAFUBA-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCCn2cc(Br)cn2)[C@H](C[NH3+])C1 ZINC000574024559 491469270 /nfs/dbraw/zinc/46/92/70/491469270.db2.gz ZYCDUCFSPMCZSH-CYBMUJFWSA-N 2 2 373.299 0.710 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCCn2cc(Br)cn2)[C@H](C[NH3+])C1 ZINC000574024559 491469273 /nfs/dbraw/zinc/46/92/73/491469273.db2.gz ZYCDUCFSPMCZSH-CYBMUJFWSA-N 2 2 373.299 0.710 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCc4nnnn4CC3)c2cc1C ZINC000566851172 491470779 /nfs/dbraw/zinc/47/07/79/491470779.db2.gz NPCNBZOJFYXYTL-HUUCEWRRSA-N 2 2 355.446 0.995 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)n1C ZINC000574064406 491472090 /nfs/dbraw/zinc/47/20/90/491472090.db2.gz GZNAFXPRIAJREN-UHFFFAOYSA-N 2 2 359.434 0.163 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000559505624 491477957 /nfs/dbraw/zinc/47/79/57/491477957.db2.gz ABHZUTXSUJSNKQ-KFWWJZLASA-N 2 2 368.522 0.589 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000559505624 491477960 /nfs/dbraw/zinc/47/79/60/491477960.db2.gz ABHZUTXSUJSNKQ-KFWWJZLASA-N 2 2 368.522 0.589 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000559505624 491477962 /nfs/dbraw/zinc/47/79/62/491477962.db2.gz ABHZUTXSUJSNKQ-KFWWJZLASA-N 2 2 368.522 0.589 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000559505624 491477963 /nfs/dbraw/zinc/47/79/63/491477963.db2.gz ABHZUTXSUJSNKQ-KFWWJZLASA-N 2 2 368.522 0.589 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000559551632 491480642 /nfs/dbraw/zinc/48/06/42/491480642.db2.gz MKLJFAYFZMZUJL-MRXNPFEDSA-N 2 2 356.511 0.260 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000567046224 491482493 /nfs/dbraw/zinc/48/24/93/491482493.db2.gz VTYSYTJRWPIBNT-QZTJIDSGSA-N 2 2 374.485 0.434 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CCN2C1=O ZINC000574340628 491490416 /nfs/dbraw/zinc/49/04/16/491490416.db2.gz NDXPCHJFPCSDSJ-JKSUJKDBSA-N 2 2 354.414 0.326 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567225187 491492814 /nfs/dbraw/zinc/49/28/14/491492814.db2.gz ZDLVHTPWGMVNJQ-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000567225187 491492815 /nfs/dbraw/zinc/49/28/15/491492815.db2.gz ZDLVHTPWGMVNJQ-SJORKVTESA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000559749094 491495465 /nfs/dbraw/zinc/49/54/65/491495465.db2.gz RJNPCNBMSBNWBO-DZGCQCFKSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000559749094 491495468 /nfs/dbraw/zinc/49/54/68/491495468.db2.gz RJNPCNBMSBNWBO-DZGCQCFKSA-N 2 2 368.503 0.304 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000567267114 491495795 /nfs/dbraw/zinc/49/57/95/491495795.db2.gz SWBPILPDTUYAIQ-CHWSQXEVSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000567267114 491495798 /nfs/dbraw/zinc/49/57/98/491495798.db2.gz SWBPILPDTUYAIQ-CHWSQXEVSA-N 2 2 350.850 0.794 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463591 491498981 /nfs/dbraw/zinc/49/89/81/491498981.db2.gz ZHSXNNQNKDHFIF-SJORKVTESA-N 3 2 352.523 0.949 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463591 491498984 /nfs/dbraw/zinc/49/89/84/491498984.db2.gz ZHSXNNQNKDHFIF-SJORKVTESA-N 3 2 352.523 0.949 20 0 FCADLP O=C(CN1CCN(c2[nH]cc[nH+]2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000574581176 491506947 /nfs/dbraw/zinc/50/69/47/491506947.db2.gz CCUCUNJBCCSXGY-UHFFFAOYSA-N 2 2 368.485 0.876 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000559902909 491508810 /nfs/dbraw/zinc/50/88/10/491508810.db2.gz VTKSBXGFUFNEBT-CABCVRRESA-N 2 2 359.474 0.786 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000559902909 491508812 /nfs/dbraw/zinc/50/88/12/491508812.db2.gz VTKSBXGFUFNEBT-CABCVRRESA-N 2 2 359.474 0.786 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2=O)c1 ZINC000567492849 491509432 /nfs/dbraw/zinc/50/94/32/491509432.db2.gz WDGNCYHPEVJBBU-QAPCUYQASA-N 2 2 363.458 0.854 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2=O)c1 ZINC000567492849 491509434 /nfs/dbraw/zinc/50/94/34/491509434.db2.gz WDGNCYHPEVJBBU-QAPCUYQASA-N 2 2 363.458 0.854 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000559932515 491511204 /nfs/dbraw/zinc/51/12/04/491511204.db2.gz NUOWKNHVAFWJQH-DZGCQCFKSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000559932515 491511205 /nfs/dbraw/zinc/51/12/05/491511205.db2.gz NUOWKNHVAFWJQH-DZGCQCFKSA-N 2 2 359.474 0.620 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000559953387 491511918 /nfs/dbraw/zinc/51/19/18/491511918.db2.gz LVQKCNLFXAAXIC-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000559953387 491511920 /nfs/dbraw/zinc/51/19/20/491511920.db2.gz LVQKCNLFXAAXIC-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000683374262 493347704 /nfs/dbraw/zinc/34/77/04/493347704.db2.gz CPXZHNOPDWRNLP-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP CCN1CC[NH+](CCCNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000683374262 493347707 /nfs/dbraw/zinc/34/77/07/493347707.db2.gz CPXZHNOPDWRNLP-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000567608789 491517779 /nfs/dbraw/zinc/51/77/79/491517779.db2.gz NPAJKPNHDDTLPS-DLBZAZTESA-N 2 2 360.458 0.044 20 0 FCADLP C[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000574754402 491517934 /nfs/dbraw/zinc/51/79/34/491517934.db2.gz BEVHILPUQRLTSX-MAUKXSAKSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000567641470 491519901 /nfs/dbraw/zinc/51/99/01/491519901.db2.gz ADDMAXUXGHXXKP-PBHICJAKSA-N 2 2 353.488 0.938 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000567680395 491522675 /nfs/dbraw/zinc/52/26/75/491522675.db2.gz XLCIVFVPPHOLJD-CKEIUWERSA-N 2 2 371.503 0.618 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717589 491524686 /nfs/dbraw/zinc/52/46/86/491524686.db2.gz VGGHKRNGYBJUDI-OLZOCXBDSA-N 2 2 363.462 0.588 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717589 491524687 /nfs/dbraw/zinc/52/46/87/491524687.db2.gz VGGHKRNGYBJUDI-OLZOCXBDSA-N 2 2 363.462 0.588 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000567716824 491524831 /nfs/dbraw/zinc/52/48/31/491524831.db2.gz JSJRCFVLZQXGNM-IAGOWNOFSA-N 2 2 373.501 0.134 20 0 FCADLP O=C1CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@@H](C2CC2)N1 ZINC000560264395 491527156 /nfs/dbraw/zinc/52/71/56/491527156.db2.gz AKMOFIAXEWWTRM-IEBWSBKVSA-N 2 2 350.507 0.430 20 0 FCADLP O=C1CC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@@H](C2CC2)N1 ZINC000560264395 491527158 /nfs/dbraw/zinc/52/71/58/491527158.db2.gz AKMOFIAXEWWTRM-IEBWSBKVSA-N 2 2 350.507 0.430 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000574974758 491531207 /nfs/dbraw/zinc/53/12/07/491531207.db2.gz PZMGZGNCMIEUNZ-NWDGAFQWSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000574974758 491531208 /nfs/dbraw/zinc/53/12/08/491531208.db2.gz PZMGZGNCMIEUNZ-NWDGAFQWSA-N 2 2 367.400 0.354 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000574974440 491531254 /nfs/dbraw/zinc/53/12/54/491531254.db2.gz LEOYZWIGRHGUPI-RDJZCZTQSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567881304 491537790 /nfs/dbraw/zinc/53/77/90/491537790.db2.gz VZNHMZXHSDNNQZ-CVEARBPZSA-N 2 2 361.490 0.167 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3c(F)cccc3F)C2)nn1 ZINC000575122258 491540593 /nfs/dbraw/zinc/54/05/93/491540593.db2.gz DVYYBNKEMBQKIG-IAQYHMDHSA-N 2 2 350.373 0.879 20 0 FCADLP COC[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)OC ZINC000567982032 491544620 /nfs/dbraw/zinc/54/46/20/491544620.db2.gz IYFHYZXQOLTOBA-HOTGVXAUSA-N 2 2 360.414 0.105 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000575376987 491551776 /nfs/dbraw/zinc/55/17/76/491551776.db2.gz BYVCZBQEKSTSFS-ULQDDVLXSA-N 2 2 357.539 0.936 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000560733785 491554001 /nfs/dbraw/zinc/55/40/01/491554001.db2.gz XLWLXBPAWCVCSZ-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000560733785 491554002 /nfs/dbraw/zinc/55/40/02/491554002.db2.gz XLWLXBPAWCVCSZ-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000568158690 491556442 /nfs/dbraw/zinc/55/64/42/491556442.db2.gz WOANOXVYDHPLIR-INIZCTEOSA-N 2 2 356.474 0.628 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000575739727 491557566 /nfs/dbraw/zinc/55/75/66/491557566.db2.gz XWWNBJKOCXXYBV-SJORKVTESA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000575739727 491557568 /nfs/dbraw/zinc/55/75/68/491557568.db2.gz XWWNBJKOCXXYBV-SJORKVTESA-N 2 2 352.523 0.724 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000568229484 491561085 /nfs/dbraw/zinc/56/10/85/491561085.db2.gz GKJNYJPGZUXKIM-LJQANCHMSA-N 3 2 359.518 0.978 20 0 FCADLP C[N@H+]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000568229484 491561087 /nfs/dbraw/zinc/56/10/87/491561087.db2.gz GKJNYJPGZUXKIM-LJQANCHMSA-N 3 2 359.518 0.978 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568270265 491565591 /nfs/dbraw/zinc/56/55/91/491565591.db2.gz YTTPRFCYRPPDMQ-ZACQAIPSSA-N 2 2 358.486 0.971 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568270265 491565592 /nfs/dbraw/zinc/56/55/92/491565592.db2.gz YTTPRFCYRPPDMQ-ZACQAIPSSA-N 2 2 358.486 0.971 20 0 FCADLP CN(C)c1cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)[nH+]cc1Br ZINC000561036601 491571733 /nfs/dbraw/zinc/57/17/33/491571733.db2.gz DOGSEQXCHVHUOO-JTQLQIEISA-N 2 2 371.283 0.935 20 0 FCADLP COCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000576010920 491576098 /nfs/dbraw/zinc/57/60/98/491576098.db2.gz UYZXEIHDSRWRBW-AYHJJNSGSA-N 3 2 352.523 0.770 20 0 FCADLP COCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000576010920 491576099 /nfs/dbraw/zinc/57/60/99/491576099.db2.gz UYZXEIHDSRWRBW-AYHJJNSGSA-N 3 2 352.523 0.770 20 0 FCADLP COCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000576010920 491576100 /nfs/dbraw/zinc/57/61/00/491576100.db2.gz UYZXEIHDSRWRBW-AYHJJNSGSA-N 2 2 352.523 0.770 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CCC2 ZINC000568436982 491577291 /nfs/dbraw/zinc/57/72/91/491577291.db2.gz KTGFOUIPJOVDOH-ZBFHGGJFSA-N 2 2 359.474 0.952 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)CCC2 ZINC000568436982 491577293 /nfs/dbraw/zinc/57/72/93/491577293.db2.gz KTGFOUIPJOVDOH-ZBFHGGJFSA-N 2 2 359.474 0.952 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000568468970 491579089 /nfs/dbraw/zinc/57/90/89/491579089.db2.gz JOISZUSJGALLQE-SFHVURJKSA-N 2 2 355.523 0.896 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000568468970 491579091 /nfs/dbraw/zinc/57/90/91/491579091.db2.gz JOISZUSJGALLQE-SFHVURJKSA-N 2 2 355.523 0.896 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1 ZINC000568506800 491581462 /nfs/dbraw/zinc/58/14/62/491581462.db2.gz BFMKUYZAVYSDNT-SFHVURJKSA-N 2 2 374.485 0.697 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000576099301 491581604 /nfs/dbraw/zinc/58/16/04/491581604.db2.gz ADDMAXUXGHXXKP-RHSMWYFYSA-N 2 2 353.488 0.938 20 0 FCADLP Cn1cc(CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)cn1 ZINC000576110949 491582507 /nfs/dbraw/zinc/58/25/07/491582507.db2.gz DWZWWCFBPHYLEJ-SFHVURJKSA-N 2 2 352.442 0.894 20 0 FCADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C1CC1)[NH+]1CC(C)C1 ZINC000561215468 491584542 /nfs/dbraw/zinc/58/45/42/491584542.db2.gz MZDBQQNQPLKQDS-VYDXJSESSA-N 2 2 350.507 0.678 20 0 FCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000568552332 491586388 /nfs/dbraw/zinc/58/63/88/491586388.db2.gz WAGXQDGAEVICMB-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000568552332 491586393 /nfs/dbraw/zinc/58/63/93/491586393.db2.gz WAGXQDGAEVICMB-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000568552332 491586400 /nfs/dbraw/zinc/58/64/00/491586400.db2.gz WAGXQDGAEVICMB-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000568552332 491586402 /nfs/dbraw/zinc/58/64/02/491586402.db2.gz WAGXQDGAEVICMB-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577076748 491587186 /nfs/dbraw/zinc/58/71/86/491587186.db2.gz CWJQWUWATPGZTN-VXLPUBFQSA-N 2 2 360.502 0.704 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577076748 491587190 /nfs/dbraw/zinc/58/71/90/491587190.db2.gz CWJQWUWATPGZTN-VXLPUBFQSA-N 2 2 360.502 0.704 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000561253290 491589570 /nfs/dbraw/zinc/58/95/70/491589570.db2.gz KDNBWQFRUBZZSE-FQEVSTJZSA-N 2 2 373.501 0.122 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000568608777 491591643 /nfs/dbraw/zinc/59/16/43/491591643.db2.gz GNPBHLCQUXLJQF-QGZVFWFLSA-N 2 2 365.522 0.762 20 0 FCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000568626056 491594115 /nfs/dbraw/zinc/59/41/15/491594115.db2.gz NLMJDEQGOVHIJE-IAGOWNOFSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1C[NH2+]C1 ZINC000568626597 491594178 /nfs/dbraw/zinc/59/41/78/491594178.db2.gz VMNQLSSBQQPCFS-OAHLLOKOSA-N 2 2 350.507 0.683 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188282 491599746 /nfs/dbraw/zinc/59/97/46/491599746.db2.gz CCACHORQUXTTGZ-CABCVRRESA-N 2 2 363.462 0.722 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000561366593 491601353 /nfs/dbraw/zinc/60/13/53/491601353.db2.gz FXBYRRLAXSUOGY-HRCADAONSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000561367926 491601849 /nfs/dbraw/zinc/60/18/49/491601849.db2.gz MMATYQMDMVUPRD-ULQDDVLXSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CCC2 ZINC000576308064 491603747 /nfs/dbraw/zinc/60/37/47/491603747.db2.gz COFINUAAKNJHNP-JYJNAYRXSA-N 2 2 359.474 0.738 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@@H]3CC[N@H+](C)C[C@@H]31)CCC2 ZINC000576308064 491603750 /nfs/dbraw/zinc/60/37/50/491603750.db2.gz COFINUAAKNJHNP-JYJNAYRXSA-N 2 2 359.474 0.738 20 0 FCADLP CCNC(=O)N1CCc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000577267951 491607906 /nfs/dbraw/zinc/60/79/06/491607906.db2.gz WVPBPZFQJOCFDZ-HNNXBMFYSA-N 2 2 360.462 0.885 20 0 FCADLP CCNC(=O)N1CCc2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000577267951 491607908 /nfs/dbraw/zinc/60/79/08/491607908.db2.gz WVPBPZFQJOCFDZ-HNNXBMFYSA-N 2 2 360.462 0.885 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000576387077 491610311 /nfs/dbraw/zinc/61/03/11/491610311.db2.gz MHJVDRIKQUQVBY-KLAILNCOSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000568803042 491610781 /nfs/dbraw/zinc/61/07/81/491610781.db2.gz HQLRCPLAHWXEOI-UHFFFAOYSA-N 2 2 362.540 0.479 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471841 491611706 /nfs/dbraw/zinc/61/17/06/491611706.db2.gz KUJYQFQLQZEKRY-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471841 491611707 /nfs/dbraw/zinc/61/17/07/491611707.db2.gz KUJYQFQLQZEKRY-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471841 491611708 /nfs/dbraw/zinc/61/17/08/491611708.db2.gz KUJYQFQLQZEKRY-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471841 491611710 /nfs/dbraw/zinc/61/17/10/491611710.db2.gz KUJYQFQLQZEKRY-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000577399746 491619200 /nfs/dbraw/zinc/61/92/00/491619200.db2.gz NYZJXVWDQBELQW-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CN1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000576492631 491619465 /nfs/dbraw/zinc/61/94/65/491619465.db2.gz OWUVQZWTSRYKJE-KRWDZBQOSA-N 2 2 356.474 0.910 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000576628103 491631155 /nfs/dbraw/zinc/63/11/55/491631155.db2.gz NTFADJGCLUUBPS-LJQANCHMSA-N 2 2 350.482 0.992 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000576628103 491631157 /nfs/dbraw/zinc/63/11/57/491631157.db2.gz NTFADJGCLUUBPS-LJQANCHMSA-N 2 2 350.482 0.992 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C[C@H](C)O1 ZINC000569071315 491631369 /nfs/dbraw/zinc/63/13/69/491631369.db2.gz RQFUXNXQODKCNJ-RHQZKXFESA-N 2 2 355.523 0.690 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C[C@H](C)O1 ZINC000569071315 491631372 /nfs/dbraw/zinc/63/13/72/491631372.db2.gz RQFUXNXQODKCNJ-RHQZKXFESA-N 2 2 355.523 0.690 20 0 FCADLP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n(C)n1 ZINC000569095654 491632902 /nfs/dbraw/zinc/63/29/02/491632902.db2.gz HEVWFFIUTPWKAO-XWTMOSNGSA-N 2 2 365.522 0.757 20 0 FCADLP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n(C)n1 ZINC000569095654 491632904 /nfs/dbraw/zinc/63/29/04/491632904.db2.gz HEVWFFIUTPWKAO-XWTMOSNGSA-N 2 2 365.522 0.757 20 0 FCADLP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)C2)n(C)n1 ZINC000569095647 491633082 /nfs/dbraw/zinc/63/30/82/491633082.db2.gz HEVWFFIUTPWKAO-BDXSIMOUSA-N 2 2 365.522 0.757 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000576686115 491635377 /nfs/dbraw/zinc/63/53/77/491635377.db2.gz ZJPAXIIUQKXSIT-AWEZNQCLSA-N 2 2 356.434 0.893 20 0 FCADLP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000576720091 491639315 /nfs/dbraw/zinc/63/93/15/491639315.db2.gz KRXAMEAGZQUYJJ-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646068 491639528 /nfs/dbraw/zinc/63/95/28/491639528.db2.gz DSTZEULZWPPTIG-SFHVURJKSA-N 3 2 354.539 0.565 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646068 491639529 /nfs/dbraw/zinc/63/95/29/491639529.db2.gz DSTZEULZWPPTIG-SFHVURJKSA-N 3 2 354.539 0.565 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646068 491639531 /nfs/dbraw/zinc/63/95/31/491639531.db2.gz DSTZEULZWPPTIG-SFHVURJKSA-N 2 2 354.539 0.565 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646068 491639532 /nfs/dbraw/zinc/63/95/32/491639532.db2.gz DSTZEULZWPPTIG-SFHVURJKSA-N 2 2 354.539 0.565 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000561959500 491642790 /nfs/dbraw/zinc/64/27/90/491642790.db2.gz CMTDXCQGBSGSIE-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000577721459 491645335 /nfs/dbraw/zinc/64/53/35/491645335.db2.gz JATFRFBKHIKYKM-OAHLLOKOSA-N 2 2 366.506 0.204 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000576816064 491647348 /nfs/dbraw/zinc/64/73/48/491647348.db2.gz JUKIYGNOJJKRET-CQSZACIVSA-N 2 2 360.449 0.810 20 0 FCADLP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000577742233 491647975 /nfs/dbraw/zinc/64/79/75/491647975.db2.gz FWPWLOARTBTHGL-MOPGFXCFSA-N 2 2 363.502 0.783 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562026471 491648675 /nfs/dbraw/zinc/64/86/75/491648675.db2.gz SKVYDOUIFLKZMZ-SJORKVTESA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577752536 491649192 /nfs/dbraw/zinc/64/91/92/491649192.db2.gz ARPZKKVTLWHIML-JHJVBQTASA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577752536 491649195 /nfs/dbraw/zinc/64/91/95/491649195.db2.gz ARPZKKVTLWHIML-JHJVBQTASA-N 2 2 352.460 0.202 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000569312644 491650907 /nfs/dbraw/zinc/65/09/07/491650907.db2.gz TVCHBEYWCQCUHZ-OTWHNJEPSA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000569312644 491650908 /nfs/dbraw/zinc/65/09/08/491650908.db2.gz TVCHBEYWCQCUHZ-OTWHNJEPSA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000569312644 491650910 /nfs/dbraw/zinc/65/09/10/491650910.db2.gz TVCHBEYWCQCUHZ-OTWHNJEPSA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000569312644 491650911 /nfs/dbraw/zinc/65/09/11/491650911.db2.gz TVCHBEYWCQCUHZ-OTWHNJEPSA-N 2 2 359.470 0.867 20 0 FCADLP C[NH+](C)C[C@H]1CN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000562155698 491655988 /nfs/dbraw/zinc/65/59/88/491655988.db2.gz CYLFXNFRMRKDIG-KRWDZBQOSA-N 2 2 371.441 0.278 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)CC2)cc[nH+]1 ZINC000660517032 493359066 /nfs/dbraw/zinc/35/90/66/493359066.db2.gz GQRIWHUSNBIRCS-MRXNPFEDSA-N 2 2 374.489 0.423 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917134 491663122 /nfs/dbraw/zinc/66/31/22/491663122.db2.gz RWFUXEBEZMEVMH-HOCLYGCPSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000577917134 491663125 /nfs/dbraw/zinc/66/31/25/491663125.db2.gz RWFUXEBEZMEVMH-HOCLYGCPSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000577917134 491663129 /nfs/dbraw/zinc/66/31/29/491663129.db2.gz RWFUXEBEZMEVMH-HOCLYGCPSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000577917134 491663133 /nfs/dbraw/zinc/66/31/33/491663133.db2.gz RWFUXEBEZMEVMH-HOCLYGCPSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000562294709 491664850 /nfs/dbraw/zinc/66/48/50/491664850.db2.gz YWWMJOPATKGGNA-OAHLLOKOSA-N 2 2 365.522 0.713 20 0 FCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000578006971 491667873 /nfs/dbraw/zinc/66/78/73/491667873.db2.gz ZHALDLZKTUWGIK-LSDHHAIUSA-N 2 2 368.503 0.931 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000578231144 491672611 /nfs/dbraw/zinc/67/26/11/491672611.db2.gz KAFDQTHNDFSJSI-QGZVFWFLSA-N 2 2 358.486 0.837 20 0 FCADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000578237835 491672900 /nfs/dbraw/zinc/67/29/00/491672900.db2.gz RJWHMTLINMLVEP-ZIAGYGMSSA-N 2 2 370.475 0.101 20 0 FCADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000578237835 491672901 /nfs/dbraw/zinc/67/29/01/491672901.db2.gz RJWHMTLINMLVEP-ZIAGYGMSSA-N 2 2 370.475 0.101 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000578327620 491674847 /nfs/dbraw/zinc/67/48/47/491674847.db2.gz CXKVRMWTPDNIOB-HNNXBMFYSA-N 2 2 364.446 0.088 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000578542208 491679523 /nfs/dbraw/zinc/67/95/23/491679523.db2.gz WUCWKHXOGPWOAV-AWEZNQCLSA-N 2 2 368.522 0.591 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000578557889 491679820 /nfs/dbraw/zinc/67/98/20/491679820.db2.gz QUXYOSBGYRDVBM-UHFFFAOYSA-N 2 2 367.453 0.854 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000578563344 491679910 /nfs/dbraw/zinc/67/99/10/491679910.db2.gz XCQYGDZMISBBGX-CVEARBPZSA-N 2 2 361.490 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@H](C[NH3+])C1 ZINC000579004722 491689028 /nfs/dbraw/zinc/68/90/28/491689028.db2.gz OKNFMQMVSFNKHT-SWLSCSKDSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@H](C[NH3+])C1 ZINC000579004722 491689029 /nfs/dbraw/zinc/68/90/29/491689029.db2.gz OKNFMQMVSFNKHT-SWLSCSKDSA-N 2 2 350.850 0.794 20 0 FCADLP C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000579235342 491693684 /nfs/dbraw/zinc/69/36/84/491693684.db2.gz GVVARRZXKZZNMY-QAPCUYQASA-N 2 2 363.481 0.438 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000579491408 491699077 /nfs/dbraw/zinc/69/90/77/491699077.db2.gz ANCIUWDXZFIPNI-QAPCUYQASA-N 2 2 371.485 0.994 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000579491408 491699078 /nfs/dbraw/zinc/69/90/78/491699078.db2.gz ANCIUWDXZFIPNI-QAPCUYQASA-N 2 2 371.485 0.994 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000579560917 491700417 /nfs/dbraw/zinc/70/04/17/491700417.db2.gz VIASMCSLXCRLDI-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000579574610 491700719 /nfs/dbraw/zinc/70/07/19/491700719.db2.gz BBFWFFODOBZPNJ-RBSFLKMASA-N 2 2 352.431 0.854 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609043 491701441 /nfs/dbraw/zinc/70/14/41/491701441.db2.gz LWPCLEPVMYEIDW-QAPCUYQASA-N 2 2 374.485 0.587 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609043 491701442 /nfs/dbraw/zinc/70/14/42/491701442.db2.gz LWPCLEPVMYEIDW-QAPCUYQASA-N 2 2 374.485 0.587 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H]1n1cccn1 ZINC000579704939 491703391 /nfs/dbraw/zinc/70/33/91/491703391.db2.gz ZTMBVCMHHJYODF-FRMKIJSPSA-N 2 2 352.479 0.661 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3([NH+](C)C)CC3)CC2)CC1 ZINC000668487300 493361799 /nfs/dbraw/zinc/36/17/99/493361799.db2.gz XKOJXKQWNOTLBM-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000580286415 491724261 /nfs/dbraw/zinc/72/42/61/491724261.db2.gz KBDFAXGMXNHLGM-AWEZNQCLSA-N 2 2 356.430 0.675 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580467424 491732720 /nfs/dbraw/zinc/73/27/20/491732720.db2.gz YCESMZJXMSZXQY-HZPDHXFCSA-N 2 2 360.458 0.042 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580467424 491732722 /nfs/dbraw/zinc/73/27/22/491732722.db2.gz YCESMZJXMSZXQY-HZPDHXFCSA-N 2 2 360.458 0.042 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580467422 491732817 /nfs/dbraw/zinc/73/28/17/491732817.db2.gz YCESMZJXMSZXQY-HOTGVXAUSA-N 2 2 360.458 0.042 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580467422 491732818 /nfs/dbraw/zinc/73/28/18/491732818.db2.gz YCESMZJXMSZXQY-HOTGVXAUSA-N 2 2 360.458 0.042 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000580497212 491733575 /nfs/dbraw/zinc/73/35/75/491733575.db2.gz RQCBWKAJGWXWQM-OAHLLOKOSA-N 2 2 359.474 0.791 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583661 491737444 /nfs/dbraw/zinc/73/74/44/491737444.db2.gz ZJBIWXKNPZIKLN-DLBZAZTESA-N 2 2 368.453 0.961 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583661 491737445 /nfs/dbraw/zinc/73/74/45/491737445.db2.gz ZJBIWXKNPZIKLN-DLBZAZTESA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583661 491737446 /nfs/dbraw/zinc/73/74/46/491737446.db2.gz ZJBIWXKNPZIKLN-DLBZAZTESA-N 2 2 368.453 0.961 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000580583661 491737447 /nfs/dbraw/zinc/73/74/47/491737447.db2.gz ZJBIWXKNPZIKLN-DLBZAZTESA-N 2 2 368.453 0.961 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000580712016 491742819 /nfs/dbraw/zinc/74/28/19/491742819.db2.gz SRJNKUSCIMNFQH-HNNXBMFYSA-N 2 2 371.445 0.192 20 0 FCADLP CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236375 491742856 /nfs/dbraw/zinc/74/28/56/491742856.db2.gz JZCUBXYYMDWIND-GJZGRUSLSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236375 491742857 /nfs/dbraw/zinc/74/28/57/491742857.db2.gz JZCUBXYYMDWIND-GJZGRUSLSA-N 2 2 370.563 0.871 20 0 FCADLP CC[N@H+](CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000588304453 491744107 /nfs/dbraw/zinc/74/41/07/491744107.db2.gz QPMYQWWWOIGSGV-UHFFFAOYSA-N 2 2 374.493 0.925 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000588304453 491744108 /nfs/dbraw/zinc/74/41/08/491744108.db2.gz QPMYQWWWOIGSGV-UHFFFAOYSA-N 2 2 374.493 0.925 20 0 FCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580772638 491745207 /nfs/dbraw/zinc/74/52/07/491745207.db2.gz MMBRQLWZDYEYAY-GOSISDBHSA-N 2 2 353.470 0.980 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)CCC2 ZINC000580796818 491746252 /nfs/dbraw/zinc/74/62/52/491746252.db2.gz FJFNCMFAMMXTMJ-INIZCTEOSA-N 2 2 361.490 0.985 20 0 FCADLP CSC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588686091 491746408 /nfs/dbraw/zinc/74/64/08/491746408.db2.gz FQVKGYOJDNCEAC-UKRRQHHQSA-N 2 2 356.536 0.481 20 0 FCADLP CSC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588686091 491746410 /nfs/dbraw/zinc/74/64/10/491746410.db2.gz FQVKGYOJDNCEAC-UKRRQHHQSA-N 2 2 356.536 0.481 20 0 FCADLP CS[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588775226 491749068 /nfs/dbraw/zinc/74/90/68/491749068.db2.gz RJSMUMFMQWKKLL-ZFWWWQNUSA-N 2 2 356.536 0.481 20 0 FCADLP CS[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588775226 491749070 /nfs/dbraw/zinc/74/90/70/491749070.db2.gz RJSMUMFMQWKKLL-ZFWWWQNUSA-N 2 2 356.536 0.481 20 0 FCADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000580893099 491750579 /nfs/dbraw/zinc/75/05/79/491750579.db2.gz OFRYIXZMDXIXLW-CRAIPNDOSA-N 2 2 374.485 0.457 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2)CC1 ZINC000581069058 491757947 /nfs/dbraw/zinc/75/79/47/491757947.db2.gz LNBWLCDXHWJAKV-UHFFFAOYSA-N 2 2 357.462 0.627 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080602 491758336 /nfs/dbraw/zinc/75/83/36/491758336.db2.gz WDOWSUFWCFEYAD-FGTMMUONSA-N 3 2 357.539 0.889 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080602 491758338 /nfs/dbraw/zinc/75/83/38/491758338.db2.gz WDOWSUFWCFEYAD-FGTMMUONSA-N 3 2 357.539 0.889 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000581080602 491758340 /nfs/dbraw/zinc/75/83/40/491758340.db2.gz WDOWSUFWCFEYAD-FGTMMUONSA-N 3 2 357.539 0.889 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)CC2 ZINC000581195702 491763397 /nfs/dbraw/zinc/76/33/97/491763397.db2.gz TWYMIVUBBMCFKY-FUHWJXTLSA-N 2 2 362.474 0.704 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CCC[C@H]([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000581199876 491763870 /nfs/dbraw/zinc/76/38/70/491763870.db2.gz KMHPJBNXALBVNX-IBGZPJMESA-N 2 2 374.533 0.915 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000590060079 491769053 /nfs/dbraw/zinc/76/90/53/491769053.db2.gz KJXVSDSOOZKWHN-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000581479431 491774720 /nfs/dbraw/zinc/77/47/20/491774720.db2.gz ZXNQFTHXZJDMPJ-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]c1C ZINC000590645381 491782080 /nfs/dbraw/zinc/78/20/80/491782080.db2.gz VWGLWODLABWVOR-MRXNPFEDSA-N 2 2 364.490 0.996 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000581715758 491783696 /nfs/dbraw/zinc/78/36/96/491783696.db2.gz UHUMYSLPGMVFHB-DZJNRPSUSA-N 2 2 362.474 0.896 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@H]1Oc1ccccc1 ZINC000581715758 491783698 /nfs/dbraw/zinc/78/36/98/491783698.db2.gz UHUMYSLPGMVFHB-DZJNRPSUSA-N 2 2 362.474 0.896 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000581719415 491783959 /nfs/dbraw/zinc/78/39/59/491783959.db2.gz DZECIEXDZVROGP-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000581719415 491783960 /nfs/dbraw/zinc/78/39/60/491783960.db2.gz DZECIEXDZVROGP-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000581719414 491783967 /nfs/dbraw/zinc/78/39/67/491783967.db2.gz DZECIEXDZVROGP-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000581719414 491783968 /nfs/dbraw/zinc/78/39/68/491783968.db2.gz DZECIEXDZVROGP-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP O=C(CC[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1)N1CC[NH2+]CC1 ZINC000581887131 491788775 /nfs/dbraw/zinc/78/87/75/491788775.db2.gz FJHFWUUZQDWMKU-UHFFFAOYSA-N 2 2 354.458 0.506 20 0 FCADLP O=C(CC[N@H+]1CCn2c(Cc3ccccc3)nnc2C1)N1CC[NH2+]CC1 ZINC000581887131 491788776 /nfs/dbraw/zinc/78/87/76/491788776.db2.gz FJHFWUUZQDWMKU-UHFFFAOYSA-N 2 2 354.458 0.506 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582181780 491801592 /nfs/dbraw/zinc/80/15/92/491801592.db2.gz OTLBIENEUMRITC-VNQPRFMTSA-N 2 2 357.520 0.342 20 0 FCADLP COc1ccc([C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000582253193 491804302 /nfs/dbraw/zinc/80/43/02/491804302.db2.gz QAEITEKIRBSDPO-DZGCQCFKSA-N 2 2 357.414 0.112 20 0 FCADLP C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591553410 491808066 /nfs/dbraw/zinc/80/80/66/491808066.db2.gz BPUWPKAMQQQKPS-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591553410 491808068 /nfs/dbraw/zinc/80/80/68/491808068.db2.gz BPUWPKAMQQQKPS-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP [NH3+]C[C@@H](C[NH+]1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000582363261 491809214 /nfs/dbraw/zinc/80/92/14/491809214.db2.gz OSUAKCPYRIEECY-KRWDZBQOSA-N 2 2 364.465 0.344 20 0 FCADLP Cc1cccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000582722325 491823897 /nfs/dbraw/zinc/82/38/97/491823897.db2.gz CUGIFRQABSCNCN-MSOLQXFVSA-N 2 2 374.485 0.353 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000582774785 491826091 /nfs/dbraw/zinc/82/60/91/491826091.db2.gz VAQLSPQLGXDTDW-SJORKVTESA-N 2 2 363.506 0.324 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000582954868 491833832 /nfs/dbraw/zinc/83/38/32/491833832.db2.gz ALUCVWFSMJCXAK-QGZVFWFLSA-N 2 2 373.501 0.041 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000582962065 491834132 /nfs/dbraw/zinc/83/41/32/491834132.db2.gz AZZNAUYLLKUOPL-INIZCTEOSA-N 2 2 373.501 0.983 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583189963 491839899 /nfs/dbraw/zinc/83/98/99/491839899.db2.gz OIXVWRHHWUCNAI-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583189963 491839900 /nfs/dbraw/zinc/83/99/00/491839900.db2.gz OIXVWRHHWUCNAI-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)[NH+]1CC(C)C1 ZINC000583211985 491840372 /nfs/dbraw/zinc/84/03/72/491840372.db2.gz HGEWLQPYDMYNNO-AWEZNQCLSA-N 2 2 359.474 0.740 20 0 FCADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@H]2[NH3+])cn1 ZINC000583258326 491841025 /nfs/dbraw/zinc/84/10/25/491841025.db2.gz XXTBDRZQEOEOSF-JKSUJKDBSA-N 2 2 356.430 0.274 20 0 FCADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@H]2[NH3+])cn1 ZINC000583258326 491841026 /nfs/dbraw/zinc/84/10/26/491841026.db2.gz XXTBDRZQEOEOSF-JKSUJKDBSA-N 2 2 356.430 0.274 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668503592 493366161 /nfs/dbraw/zinc/36/61/61/493366161.db2.gz LPLAJVMHRJQMDK-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000668503592 493366165 /nfs/dbraw/zinc/36/61/65/493366165.db2.gz LPLAJVMHRJQMDK-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668502795 493366273 /nfs/dbraw/zinc/36/62/73/493366273.db2.gz HQIAIINKWKTQLV-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000583371485 491843546 /nfs/dbraw/zinc/84/35/46/491843546.db2.gz PXHDDQLWZRGCHC-KGLIPLIRSA-N 2 2 374.411 0.893 20 0 FCADLP COc1ccc([C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000583497512 491846099 /nfs/dbraw/zinc/84/60/99/491846099.db2.gz RTQAVPFWSIVWDI-NVXWUHKLSA-N 2 2 371.441 0.503 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)cn1 ZINC000583633582 491849122 /nfs/dbraw/zinc/84/91/22/491849122.db2.gz MFWBBLANZGXUOB-UHFFFAOYSA-N 2 2 357.462 0.040 20 0 FCADLP CCOC(=O)COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000583681494 491850067 /nfs/dbraw/zinc/85/00/67/491850067.db2.gz QVXAWCYPHCFCTM-CQSZACIVSA-N 2 2 350.419 0.735 20 0 FCADLP CCOC(=O)COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000583681494 491850068 /nfs/dbraw/zinc/85/00/68/491850068.db2.gz QVXAWCYPHCFCTM-CQSZACIVSA-N 2 2 350.419 0.735 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000583753236 491851289 /nfs/dbraw/zinc/85/12/89/491851289.db2.gz SLXIITHCGDOVCZ-MELADBBJSA-N 2 2 363.462 0.165 20 0 FCADLP COc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000583807610 491852399 /nfs/dbraw/zinc/85/23/99/491852399.db2.gz SFLOKLFVHZIDMC-UXLLHSPISA-N 2 2 365.474 0.485 20 0 FCADLP COc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000583807610 491852400 /nfs/dbraw/zinc/85/24/00/491852400.db2.gz SFLOKLFVHZIDMC-UXLLHSPISA-N 2 2 365.474 0.485 20 0 FCADLP COC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C(=O)OC ZINC000583982472 491855979 /nfs/dbraw/zinc/85/59/79/491855979.db2.gz XEMRLKVMLCKTEU-GFCCVEGCSA-N 2 2 364.402 0.366 20 0 FCADLP COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C(=O)OC ZINC000583982472 491855980 /nfs/dbraw/zinc/85/59/80/491855980.db2.gz XEMRLKVMLCKTEU-GFCCVEGCSA-N 2 2 364.402 0.366 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000584047475 491857373 /nfs/dbraw/zinc/85/73/73/491857373.db2.gz FTKHDIUVHMAPGH-NXHRZFHOSA-N 2 2 371.485 0.640 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000584218952 491860897 /nfs/dbraw/zinc/86/08/97/491860897.db2.gz FSMJXFKDFKQHRM-MRXNPFEDSA-N 2 2 351.495 0.324 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000584218952 491860898 /nfs/dbraw/zinc/86/08/98/491860898.db2.gz FSMJXFKDFKQHRM-MRXNPFEDSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000584285735 491862261 /nfs/dbraw/zinc/86/22/61/491862261.db2.gz JAVLHDZAHGYWNS-ALYAQQCSSA-N 2 2 359.474 0.878 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611690538 491868916 /nfs/dbraw/zinc/86/89/16/491868916.db2.gz HUIZOLNTPYXXLA-IAGOWNOFSA-N 2 2 367.453 0.705 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611690538 491868918 /nfs/dbraw/zinc/86/89/18/491868918.db2.gz HUIZOLNTPYXXLA-IAGOWNOFSA-N 2 2 367.453 0.705 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875784 491869385 /nfs/dbraw/zinc/86/93/85/491869385.db2.gz QLHAQGUOAJYGCZ-BYCMXARLSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875784 491869386 /nfs/dbraw/zinc/86/93/86/491869386.db2.gz QLHAQGUOAJYGCZ-BYCMXARLSA-N 2 2 350.850 0.589 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000600726354 491879102 /nfs/dbraw/zinc/87/91/02/491879102.db2.gz FOOMYXJAQIQFLS-TZMCWYRMSA-N 2 2 367.471 0.686 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000612058116 491896247 /nfs/dbraw/zinc/89/62/47/491896247.db2.gz WIDVULWDBFLSOD-RRFJBIMHSA-N 2 2 368.503 0.491 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000612324960 491910402 /nfs/dbraw/zinc/91/04/02/491910402.db2.gz LNRMEYXBCHPOAQ-ROUUACIJSA-N 2 2 368.522 0.849 20 0 FCADLP COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337009 491921419 /nfs/dbraw/zinc/92/14/19/491921419.db2.gz ITGDGLBDOMLDMB-CVEARBPZSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337009 491921422 /nfs/dbraw/zinc/92/14/22/491921422.db2.gz ITGDGLBDOMLDMB-CVEARBPZSA-N 2 2 355.479 0.582 20 0 FCADLP CN(C(=O)CCCCCNC(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472721 491925064 /nfs/dbraw/zinc/92/50/64/491925064.db2.gz PXZFPZWCKLXVDL-INIZCTEOSA-N 2 2 353.511 0.842 20 0 FCADLP CN(C(=O)CCCCCNC(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472721 491925067 /nfs/dbraw/zinc/92/50/67/491925067.db2.gz PXZFPZWCKLXVDL-INIZCTEOSA-N 2 2 353.511 0.842 20 0 FCADLP CN(C(=O)CCSc1nnnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473514 491925701 /nfs/dbraw/zinc/92/57/01/491925701.db2.gz GJQRNDBNFPQPCL-AWEZNQCLSA-N 2 2 367.523 0.319 20 0 FCADLP CN(C(=O)CCSc1nnnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473514 491925703 /nfs/dbraw/zinc/92/57/03/491925703.db2.gz GJQRNDBNFPQPCL-AWEZNQCLSA-N 2 2 367.523 0.319 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000612542644 491931073 /nfs/dbraw/zinc/93/10/73/491931073.db2.gz KGLBXHDMPUNICX-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000612542644 491931076 /nfs/dbraw/zinc/93/10/76/491931076.db2.gz KGLBXHDMPUNICX-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000612548416 491932875 /nfs/dbraw/zinc/93/28/75/491932875.db2.gz NBSSHNNBCZXAKO-FUHWJXTLSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000612548416 491932876 /nfs/dbraw/zinc/93/28/76/491932876.db2.gz NBSSHNNBCZXAKO-FUHWJXTLSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000612551824 491933658 /nfs/dbraw/zinc/93/36/58/491933658.db2.gz KROXFZSVDFBLJB-INIZCTEOSA-N 2 2 364.515 0.993 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000612551824 491933660 /nfs/dbraw/zinc/93/36/60/491933660.db2.gz KROXFZSVDFBLJB-INIZCTEOSA-N 2 2 364.515 0.993 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758016 491949266 /nfs/dbraw/zinc/94/92/66/491949266.db2.gz CXIVFJOXORGMDS-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000612758016 491949269 /nfs/dbraw/zinc/94/92/69/491949269.db2.gz CXIVFJOXORGMDS-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758016 491949270 /nfs/dbraw/zinc/94/92/70/491949270.db2.gz CXIVFJOXORGMDS-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758016 491949273 /nfs/dbraw/zinc/94/92/73/491949273.db2.gz CXIVFJOXORGMDS-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3nnc4ccccc4c3=O)C2)CC1 ZINC000602200227 491967173 /nfs/dbraw/zinc/96/71/73/491967173.db2.gz HRWDZWUPBUMWCD-CQSZACIVSA-N 2 2 370.457 0.076 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3nnc4ccccc4c3=O)C2)CC1 ZINC000602200227 491967176 /nfs/dbraw/zinc/96/71/76/491967176.db2.gz HRWDZWUPBUMWCD-CQSZACIVSA-N 2 2 370.457 0.076 20 0 FCADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000602200211 491967216 /nfs/dbraw/zinc/96/72/16/491967216.db2.gz DMYITWVXJCLIJA-ZDUSSCGKSA-N 2 2 372.473 0.881 20 0 FCADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000602200211 491967219 /nfs/dbraw/zinc/96/72/19/491967219.db2.gz DMYITWVXJCLIJA-ZDUSSCGKSA-N 2 2 372.473 0.881 20 0 FCADLP CC(C)CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200266 491967458 /nfs/dbraw/zinc/96/74/58/491967458.db2.gz IXNYZTZKEYYMPC-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200266 491967459 /nfs/dbraw/zinc/96/74/59/491967459.db2.gz IXNYZTZKEYYMPC-HZPDHXFCSA-N 2 2 350.507 0.776 20 0 FCADLP COC(=O)[C@@]1(C)CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000602254345 491973012 /nfs/dbraw/zinc/97/30/12/491973012.db2.gz HRZLENCLNUISBP-DOXZYTNZSA-N 2 2 366.506 0.996 20 0 FCADLP COC(=O)[C@@]1(C)CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000602254345 491973013 /nfs/dbraw/zinc/97/30/13/491973013.db2.gz HRZLENCLNUISBP-DOXZYTNZSA-N 2 2 366.506 0.996 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000613555121 491986349 /nfs/dbraw/zinc/98/63/49/491986349.db2.gz DPLXOFNTZHFDDQ-QZTJIDSGSA-N 2 2 362.518 0.779 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000596604721 491992409 /nfs/dbraw/zinc/99/24/09/491992409.db2.gz IFSYCWZVSUEBEF-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000596604721 491992411 /nfs/dbraw/zinc/99/24/11/491992411.db2.gz IFSYCWZVSUEBEF-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP CCOC(=O)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000613729354 491993580 /nfs/dbraw/zinc/99/35/80/491993580.db2.gz BCMNKSXBIMDOFO-CQSZACIVSA-N 2 2 352.479 0.797 20 0 FCADLP CCOC(=O)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000613729354 491993581 /nfs/dbraw/zinc/99/35/81/491993581.db2.gz BCMNKSXBIMDOFO-CQSZACIVSA-N 2 2 352.479 0.797 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000613996758 492009058 /nfs/dbraw/zinc/00/90/58/492009058.db2.gz SRDVFGGBTAKFDY-DDHJSBNISA-N 2 2 366.487 0.051 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000604184196 492053132 /nfs/dbraw/zinc/05/31/32/492053132.db2.gz IQCHLIFWAPZWKB-JKSUJKDBSA-N 2 2 371.526 0.195 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604633424 492065035 /nfs/dbraw/zinc/06/50/35/492065035.db2.gz KYPRULCZDOXSMS-MRXNPFEDSA-N 2 2 372.473 0.540 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604633424 492065036 /nfs/dbraw/zinc/06/50/36/492065036.db2.gz KYPRULCZDOXSMS-MRXNPFEDSA-N 2 2 372.473 0.540 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000604656625 492066763 /nfs/dbraw/zinc/06/67/63/492066763.db2.gz BLUBLEFNMSCQGJ-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000604656625 492066765 /nfs/dbraw/zinc/06/67/65/492066765.db2.gz BLUBLEFNMSCQGJ-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000604774481 492071661 /nfs/dbraw/zinc/07/16/61/492071661.db2.gz YASKXFJIWCQUBC-IYWMVGAKSA-N 2 2 368.566 0.558 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000604774481 492071663 /nfs/dbraw/zinc/07/16/63/492071663.db2.gz YASKXFJIWCQUBC-IYWMVGAKSA-N 2 2 368.566 0.558 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000615089652 492072462 /nfs/dbraw/zinc/07/24/62/492072462.db2.gz LYDHMPRQVYOMFC-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605520006 492097063 /nfs/dbraw/zinc/09/70/63/492097063.db2.gz IKCUCJDZPPKHDI-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000617754825 492189236 /nfs/dbraw/zinc/18/92/36/492189236.db2.gz BBDYYFMRXBSWJF-INIZCTEOSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768853 492191376 /nfs/dbraw/zinc/19/13/76/492191376.db2.gz XKVZFDWSFXUWFS-HNNXBMFYSA-N 2 2 370.519 0.353 20 0 FCADLP C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768853 492191378 /nfs/dbraw/zinc/19/13/78/492191378.db2.gz XKVZFDWSFXUWFS-HNNXBMFYSA-N 2 2 370.519 0.353 20 0 FCADLP CC[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000618308198 492221979 /nfs/dbraw/zinc/22/19/79/492221979.db2.gz AWYAELQDIADMCE-HOTGVXAUSA-N 2 2 356.511 0.354 20 0 FCADLP CC[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000618308198 492221980 /nfs/dbraw/zinc/22/19/80/492221980.db2.gz AWYAELQDIADMCE-HOTGVXAUSA-N 2 2 356.511 0.354 20 0 FCADLP CC[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000618308200 492222081 /nfs/dbraw/zinc/22/20/81/492222081.db2.gz AWYAELQDIADMCE-JKSUJKDBSA-N 2 2 356.511 0.354 20 0 FCADLP CC[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000618308200 492222082 /nfs/dbraw/zinc/22/20/82/492222082.db2.gz AWYAELQDIADMCE-JKSUJKDBSA-N 2 2 356.511 0.354 20 0 FCADLP COC(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000619630753 492273585 /nfs/dbraw/zinc/27/35/85/492273585.db2.gz RPNKLXTXYGSBRJ-UHFFFAOYSA-N 2 2 364.450 0.753 20 0 FCADLP COC(=O)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000619630753 492273588 /nfs/dbraw/zinc/27/35/88/492273588.db2.gz RPNKLXTXYGSBRJ-UHFFFAOYSA-N 2 2 364.450 0.753 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH+](C)CC1 ZINC000619970242 492284637 /nfs/dbraw/zinc/28/46/37/492284637.db2.gz GLQJOTVQAGQAAT-BRWVUGGUSA-N 2 2 350.507 0.382 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647510252 492301218 /nfs/dbraw/zinc/30/12/18/492301218.db2.gz PLYHLANZBQNHTE-QZTJIDSGSA-N 2 2 358.486 0.917 20 0 FCADLP COCC1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]CC1 ZINC000641753134 492302987 /nfs/dbraw/zinc/30/29/87/492302987.db2.gz MEGLSRVIMMPZRL-UHFFFAOYSA-N 2 2 361.490 0.925 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627459282 492304504 /nfs/dbraw/zinc/30/45/04/492304504.db2.gz FGHSBMWSPJVVLD-RYQLBKOJSA-N 2 2 358.486 0.976 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000627459282 492304507 /nfs/dbraw/zinc/30/45/07/492304507.db2.gz FGHSBMWSPJVVLD-RYQLBKOJSA-N 2 2 358.486 0.976 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641785223 492305799 /nfs/dbraw/zinc/30/57/99/492305799.db2.gz YYFQXOMEDZCSGQ-HNNXBMFYSA-N 2 2 350.467 0.016 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641785223 492305800 /nfs/dbraw/zinc/30/58/00/492305800.db2.gz YYFQXOMEDZCSGQ-HNNXBMFYSA-N 2 2 350.467 0.016 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C(C)(C)n1cncn1 ZINC000641786678 492305918 /nfs/dbraw/zinc/30/59/18/492305918.db2.gz QXMJELCFEPTAKT-IAGOWNOFSA-N 2 2 350.511 0.788 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000654487521 492310996 /nfs/dbraw/zinc/31/09/96/492310996.db2.gz KXLJHSMHYXLTJP-CKEIUWERSA-N 2 2 362.478 0.913 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@H+](C)C1 ZINC000647567100 492314522 /nfs/dbraw/zinc/31/45/22/492314522.db2.gz LELCSVLPYDYMHH-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647567100 492314524 /nfs/dbraw/zinc/31/45/24/492314524.db2.gz LELCSVLPYDYMHH-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567100 492314526 /nfs/dbraw/zinc/31/45/26/492314526.db2.gz LELCSVLPYDYMHH-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000647567100 492314529 /nfs/dbraw/zinc/31/45/29/492314529.db2.gz LELCSVLPYDYMHH-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000627478347 492314870 /nfs/dbraw/zinc/31/48/70/492314870.db2.gz LJLAMZDOTBTFAE-FUHWJXTLSA-N 2 2 358.486 0.896 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)NCCOC)CC2)CC1 ZINC000641859025 492319553 /nfs/dbraw/zinc/31/95/53/492319553.db2.gz YFUZVXNKCYMJPG-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3COCCN3CC(F)F)c2)CC1 ZINC000634194765 492325150 /nfs/dbraw/zinc/32/51/50/492325150.db2.gz YRFHITGRIFPNMC-CQSZACIVSA-N 2 2 369.416 0.738 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)c2)CC1 ZINC000634193674 492325331 /nfs/dbraw/zinc/32/53/31/492325331.db2.gz MORKFZJFIGKXPV-AWEZNQCLSA-N 2 2 366.487 0.987 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642079094 492332249 /nfs/dbraw/zinc/33/22/49/492332249.db2.gz LSVAYBQGAGRJQZ-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642079094 492332254 /nfs/dbraw/zinc/33/22/54/492332254.db2.gz LSVAYBQGAGRJQZ-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000647613258 492334593 /nfs/dbraw/zinc/33/45/93/492334593.db2.gz QIGDKYLDLIOAJY-GFCCVEGCSA-N 2 2 372.351 0.723 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642226506 492343226 /nfs/dbraw/zinc/34/32/26/492343226.db2.gz DETWHDQQMXRHTG-GOSISDBHSA-N 2 2 374.485 0.393 20 0 FCADLP C[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000642226784 492343456 /nfs/dbraw/zinc/34/34/56/492343456.db2.gz XGAKMHINICSEHL-CYBMUJFWSA-N 2 2 362.455 0.984 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000642257017 492346612 /nfs/dbraw/zinc/34/66/12/492346612.db2.gz HTUOQKCRYAJFJW-UHFFFAOYSA-N 2 2 350.488 0.562 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000642257017 492346613 /nfs/dbraw/zinc/34/66/13/492346613.db2.gz HTUOQKCRYAJFJW-UHFFFAOYSA-N 2 2 350.488 0.562 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000642257043 492347085 /nfs/dbraw/zinc/34/70/85/492347085.db2.gz LTLRAKBVDNUIDK-ZDUSSCGKSA-N 2 2 350.488 0.420 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000642257043 492347087 /nfs/dbraw/zinc/34/70/87/492347087.db2.gz LTLRAKBVDNUIDK-ZDUSSCGKSA-N 2 2 350.488 0.420 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642257103 492347204 /nfs/dbraw/zinc/34/72/04/492347204.db2.gz URAALPMRMGDNBU-ZFWWWQNUSA-N 2 2 362.499 0.433 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642257103 492347206 /nfs/dbraw/zinc/34/72/06/492347206.db2.gz URAALPMRMGDNBU-ZFWWWQNUSA-N 2 2 362.499 0.433 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000647705662 492348160 /nfs/dbraw/zinc/34/81/60/492348160.db2.gz GVGHMBOXHFBETD-AWEZNQCLSA-N 2 2 353.488 0.894 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000642304552 492349839 /nfs/dbraw/zinc/34/98/39/492349839.db2.gz IUZNCIDWPQTWLZ-NVXWUHKLSA-N 2 2 362.474 0.594 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000642304552 492349841 /nfs/dbraw/zinc/34/98/41/492349841.db2.gz IUZNCIDWPQTWLZ-NVXWUHKLSA-N 2 2 362.474 0.594 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000642330034 492352210 /nfs/dbraw/zinc/35/22/10/492352210.db2.gz ROJVGBVBZSAWPU-UHFFFAOYSA-N 2 2 359.405 0.967 20 0 FCADLP CN1C(=O)N[C@]2(CC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000634643525 492357456 /nfs/dbraw/zinc/35/74/56/492357456.db2.gz DGXSMMIUXAMQPT-MOPGFXCFSA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@]2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643525 492357459 /nfs/dbraw/zinc/35/74/59/492357459.db2.gz DGXSMMIUXAMQPT-MOPGFXCFSA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@]2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643525 492357461 /nfs/dbraw/zinc/35/74/61/492357461.db2.gz DGXSMMIUXAMQPT-MOPGFXCFSA-N 2 2 358.442 0.250 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000621155235 492359195 /nfs/dbraw/zinc/35/91/95/492359195.db2.gz BIYFAMQPPGVTJH-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000642517711 492360809 /nfs/dbraw/zinc/36/08/09/492360809.db2.gz QKGAOOLODVTEGT-OWCLPIDISA-N 2 2 354.495 0.045 20 0 FCADLP CNS(=O)(=O)CCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000634726779 492364043 /nfs/dbraw/zinc/36/40/43/492364043.db2.gz ATBAGOVNTHEPTR-CQSZACIVSA-N 2 2 354.476 0.543 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814880 492364479 /nfs/dbraw/zinc/36/44/79/492364479.db2.gz JUQVPZPILCXAAZ-UHFFFAOYSA-N 2 2 360.458 0.383 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814880 492364484 /nfs/dbraw/zinc/36/44/84/492364484.db2.gz JUQVPZPILCXAAZ-UHFFFAOYSA-N 2 2 360.458 0.383 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)[nH+]c12 ZINC000642638910 492368270 /nfs/dbraw/zinc/36/82/70/492368270.db2.gz RMAGDTHUBRZTFR-USXIJHARSA-N 2 2 369.469 0.887 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])cc1 ZINC000647847616 492371071 /nfs/dbraw/zinc/37/10/71/492371071.db2.gz YLKXPJFHMPMAFA-ZDUSSCGKSA-N 2 2 356.492 0.981 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000647847616 492371074 /nfs/dbraw/zinc/37/10/74/492371074.db2.gz YLKXPJFHMPMAFA-ZDUSSCGKSA-N 2 2 356.492 0.981 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[C@H]1[NH3+] ZINC000642687074 492373672 /nfs/dbraw/zinc/37/36/72/492373672.db2.gz IHWJYRGIZRFQLW-HZPDHXFCSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CCO1 ZINC000647877070 492375450 /nfs/dbraw/zinc/37/54/50/492375450.db2.gz HJIMOMGTNYBNNI-DZGCQCFKSA-N 2 2 369.487 0.210 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000642721960 492379364 /nfs/dbraw/zinc/37/93/64/492379364.db2.gz JMSTYDHHRMDIAL-AWEZNQCLSA-N 2 2 367.453 0.724 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2C1=O ZINC000647907956 492381801 /nfs/dbraw/zinc/38/18/01/492381801.db2.gz XNZBYFZMSABUHY-IUIKQTSFSA-N 2 2 356.426 0.910 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2C1=O ZINC000647907956 492381805 /nfs/dbraw/zinc/38/18/05/492381805.db2.gz XNZBYFZMSABUHY-IUIKQTSFSA-N 2 2 356.426 0.910 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2C1=O ZINC000647907959 492382233 /nfs/dbraw/zinc/38/22/33/492382233.db2.gz XNZBYFZMSABUHY-XZJROXQQSA-N 2 2 356.426 0.910 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2C1=O ZINC000647907959 492382235 /nfs/dbraw/zinc/38/22/35/492382235.db2.gz XNZBYFZMSABUHY-XZJROXQQSA-N 2 2 356.426 0.910 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000642754776 492386433 /nfs/dbraw/zinc/38/64/33/492386433.db2.gz OBBZGIOSKLQZDO-IRXDYDNUSA-N 2 2 373.501 0.134 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000621544587 492389993 /nfs/dbraw/zinc/38/99/93/492389993.db2.gz CPORZDIXYHIVHJ-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000621544587 492389996 /nfs/dbraw/zinc/38/99/96/492389996.db2.gz CPORZDIXYHIVHJ-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000648105702 492398960 /nfs/dbraw/zinc/39/89/60/492398960.db2.gz SPHIHOSMWYFOPK-ZIAGYGMSSA-N 2 2 353.488 0.831 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000648123773 492402938 /nfs/dbraw/zinc/40/29/38/492402938.db2.gz IFIBSAKXGOVOBN-GOEBONIOSA-N 2 2 365.499 0.846 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000642918099 492403221 /nfs/dbraw/zinc/40/32/21/492403221.db2.gz NITBQDBAWVQMTO-UHFFFAOYSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919642 492404073 /nfs/dbraw/zinc/40/40/73/492404073.db2.gz CMGCDKSRBNFJSJ-CYBMUJFWSA-N 2 2 350.488 0.822 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000621686870 492404740 /nfs/dbraw/zinc/40/47/40/492404740.db2.gz ZCPCTOGLDOJTIF-UZLBHIALSA-N 2 2 371.485 0.850 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642940943 492405591 /nfs/dbraw/zinc/40/55/91/492405591.db2.gz NBAVKLZZMUAVIG-RDJZCZTQSA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642940943 492405593 /nfs/dbraw/zinc/40/55/93/492405593.db2.gz NBAVKLZZMUAVIG-RDJZCZTQSA-N 3 2 367.538 0.103 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000642952537 492406833 /nfs/dbraw/zinc/40/68/33/492406833.db2.gz KSDWDBDQENHQFN-OAHLLOKOSA-N 2 2 362.474 0.501 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149154 492409064 /nfs/dbraw/zinc/40/90/64/492409064.db2.gz QMRJJTRYRGFTTD-SFHVURJKSA-N 2 2 362.474 0.511 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648153559 492409565 /nfs/dbraw/zinc/40/95/65/492409565.db2.gz CMXMWAQOVACETB-QXSJWSMHSA-N 2 2 372.473 0.149 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648153559 492409568 /nfs/dbraw/zinc/40/95/68/492409568.db2.gz CMXMWAQOVACETB-QXSJWSMHSA-N 2 2 372.473 0.149 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000643015557 492414407 /nfs/dbraw/zinc/41/44/07/492414407.db2.gz DRUVWWQCXKOZDT-SOUVJXGZSA-N 2 2 373.501 0.933 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621839000 492422103 /nfs/dbraw/zinc/42/21/03/492422103.db2.gz MGSDEHOWKYITFV-AUUYWEPGSA-N 2 2 355.442 0.801 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)[nH+]c12 ZINC000621840430 492423079 /nfs/dbraw/zinc/42/30/79/492423079.db2.gz ISRNSXSWCBPGQJ-LIRRHRJNSA-N 2 2 355.442 0.641 20 0 FCADLP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC1CC([NH+]2CCOCC2)C1 ZINC000627930289 492423276 /nfs/dbraw/zinc/42/32/76/492423276.db2.gz ZVLCGAUWJAXAIT-UHFFFAOYSA-N 2 2 372.513 0.784 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000627981675 492433593 /nfs/dbraw/zinc/43/35/93/492433593.db2.gz FUCQVNVTDNJRNY-OAHLLOKOSA-N 2 2 357.414 0.208 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000627981675 492433596 /nfs/dbraw/zinc/43/35/96/492433596.db2.gz FUCQVNVTDNJRNY-OAHLLOKOSA-N 2 2 357.414 0.208 20 0 FCADLP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000655413897 492441966 /nfs/dbraw/zinc/44/19/66/492441966.db2.gz MAZIRHYZFZPOHV-GFCCVEGCSA-N 2 2 363.443 0.321 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000643374362 492442849 /nfs/dbraw/zinc/44/28/49/492442849.db2.gz TYWAYXBBPHGHQZ-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000643374362 492442854 /nfs/dbraw/zinc/44/28/54/492442854.db2.gz TYWAYXBBPHGHQZ-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000622029161 492444488 /nfs/dbraw/zinc/44/44/88/492444488.db2.gz AYSMNVQPGSYQAB-YLJYHZDGSA-N 2 2 356.470 0.671 20 0 FCADLP CCC(C)(C)OCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643397582 492447986 /nfs/dbraw/zinc/44/79/86/492447986.db2.gz CFOMTODXVIGKFR-HNNXBMFYSA-N 2 2 368.522 0.593 20 0 FCADLP CCC(C)(C)OCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643397582 492447988 /nfs/dbraw/zinc/44/79/88/492447988.db2.gz CFOMTODXVIGKFR-HNNXBMFYSA-N 2 2 368.522 0.593 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000643419280 492454289 /nfs/dbraw/zinc/45/42/89/492454289.db2.gz GSXVRWDNSOPNNW-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000643419280 492454293 /nfs/dbraw/zinc/45/42/93/492454293.db2.gz GSXVRWDNSOPNNW-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCO2)CC1 ZINC000635512317 492462810 /nfs/dbraw/zinc/46/28/10/492462810.db2.gz KAAZJRBNJGMOIH-QGZVFWFLSA-N 2 2 350.507 0.337 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000643478364 492474080 /nfs/dbraw/zinc/47/40/80/492474080.db2.gz MFMKTJBLBJDHPQ-JQHSSLGASA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000643478364 492474084 /nfs/dbraw/zinc/47/40/84/492474084.db2.gz MFMKTJBLBJDHPQ-JQHSSLGASA-N 2 2 356.470 0.712 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643477155 492474200 /nfs/dbraw/zinc/47/42/00/492474200.db2.gz QQXRWOLFRCXLRQ-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000643478736 492475024 /nfs/dbraw/zinc/47/50/24/492475024.db2.gz ACHQKZGLXCQQCQ-INIZCTEOSA-N 2 2 374.485 0.468 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479656 492475345 /nfs/dbraw/zinc/47/53/45/492475345.db2.gz HSLCMMBSLJXRIB-HZPDHXFCSA-N 2 2 362.499 0.603 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC1 ZINC000635578452 492476328 /nfs/dbraw/zinc/47/63/28/492476328.db2.gz XPFSHQXCPJESEB-KRWDZBQOSA-N 2 2 361.486 0.912 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000635592235 492478140 /nfs/dbraw/zinc/47/81/40/492478140.db2.gz SIOZHNJCKDJYDS-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000635592235 492478145 /nfs/dbraw/zinc/47/81/45/492478145.db2.gz SIOZHNJCKDJYDS-UHFFFAOYSA-N 2 2 374.489 0.304 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655716248 492478529 /nfs/dbraw/zinc/47/85/29/492478529.db2.gz RHVJONGFBUOOFC-PMACEKPBSA-N 3 2 366.550 0.626 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643541453 492494407 /nfs/dbraw/zinc/49/44/07/492494407.db2.gz MZCSZJGTRZPFMG-JKSUJKDBSA-N 2 2 357.458 0.249 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000643541418 492494782 /nfs/dbraw/zinc/49/47/82/492494782.db2.gz IWCNCOWXAWVLQR-CVEARBPZSA-N 2 2 357.458 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563170 492498754 /nfs/dbraw/zinc/49/87/54/492498754.db2.gz KRURXQGQESLZBI-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563170 492498758 /nfs/dbraw/zinc/49/87/58/492498758.db2.gz KRURXQGQESLZBI-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562992 492498944 /nfs/dbraw/zinc/49/89/44/492498944.db2.gz HNODVSLTGUKJQW-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562992 492498947 /nfs/dbraw/zinc/49/89/47/492498947.db2.gz HNODVSLTGUKJQW-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000655968621 492499974 /nfs/dbraw/zinc/49/99/74/492499974.db2.gz AXFFMTUHTJYZCX-CRAIPNDOSA-N 2 2 370.457 0.959 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCc1nnnn1C1CC1 ZINC000649275216 492517283 /nfs/dbraw/zinc/51/72/83/492517283.db2.gz WUDMGDBLIUNKIC-INIZCTEOSA-N 2 2 366.429 0.439 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC000649276524 492517916 /nfs/dbraw/zinc/51/79/16/492517916.db2.gz FZBWSAQLYQCFHN-SJORKVTESA-N 2 2 354.458 0.775 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)cc1F ZINC000649280356 492519820 /nfs/dbraw/zinc/51/98/20/492519820.db2.gz HALINWCOJJYTJG-HNNXBMFYSA-N 2 2 351.422 0.715 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCc2cn3ccc(C)cc3[nH+]2)nn1 ZINC000649303532 492527848 /nfs/dbraw/zinc/52/78/48/492527848.db2.gz FJHBZFNMAJAYJV-GOEBONIOSA-N 2 2 369.429 0.252 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000656069364 492530807 /nfs/dbraw/zinc/53/08/07/492530807.db2.gz ZEFVNJQSTUCHMW-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP [NH3+][C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(Cl)c1 ZINC000649330601 492536559 /nfs/dbraw/zinc/53/65/59/492536559.db2.gz LDZWIBZSXWMFJP-MRXNPFEDSA-N 2 2 363.849 1.507 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000649335699 492537359 /nfs/dbraw/zinc/53/73/59/492537359.db2.gz STLQJQVTZXIJPL-PKOBYXMFSA-N 2 2 358.486 0.396 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000649335699 492537362 /nfs/dbraw/zinc/53/73/62/492537362.db2.gz STLQJQVTZXIJPL-PKOBYXMFSA-N 2 2 358.486 0.396 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077852 492538997 /nfs/dbraw/zinc/53/89/97/492538997.db2.gz XRMGFYVKMNAEEW-BQJWPVKWSA-N 2 2 368.522 0.541 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077852 492539000 /nfs/dbraw/zinc/53/90/00/492539000.db2.gz XRMGFYVKMNAEEW-BQJWPVKWSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077852 492539002 /nfs/dbraw/zinc/53/90/02/492539002.db2.gz XRMGFYVKMNAEEW-BQJWPVKWSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000656077852 492539004 /nfs/dbraw/zinc/53/90/04/492539004.db2.gz XRMGFYVKMNAEEW-BQJWPVKWSA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000636015913 492539539 /nfs/dbraw/zinc/53/95/39/492539539.db2.gz KMPGEIWXWNNTMK-UHFFFAOYSA-N 2 2 369.506 0.342 20 0 FCADLP C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747523 492542255 /nfs/dbraw/zinc/54/22/55/492542255.db2.gz BZPIVFBSIFTQFD-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747523 492542260 /nfs/dbraw/zinc/54/22/60/492542260.db2.gz BZPIVFBSIFTQFD-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cnn1C ZINC000649351998 492545550 /nfs/dbraw/zinc/54/55/50/492545550.db2.gz FIVSXHPVJMOZMI-MSOLQXFVSA-N 2 2 371.489 0.109 20 0 FCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410747 492552382 /nfs/dbraw/zinc/55/23/82/492552382.db2.gz QMMGHGCQZAVSBB-MAUKXSAKSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410747 492552385 /nfs/dbraw/zinc/55/23/85/492552385.db2.gz QMMGHGCQZAVSBB-MAUKXSAKSA-N 2 2 364.465 0.912 20 0 FCADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420430 492553066 /nfs/dbraw/zinc/55/30/66/492553066.db2.gz NDZSYZYPZCYNHK-GJZGRUSLSA-N 2 2 358.450 0.221 20 0 FCADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)n(C)n1 ZINC000649420430 492553071 /nfs/dbraw/zinc/55/30/71/492553071.db2.gz NDZSYZYPZCYNHK-GJZGRUSLSA-N 2 2 358.450 0.221 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000623425860 492554095 /nfs/dbraw/zinc/55/40/95/492554095.db2.gz RODXBRIGZGYONW-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CCO[C@@H]1COC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656247043 492566376 /nfs/dbraw/zinc/56/63/76/492566376.db2.gz MUKCHIGQBBZNOC-BRWVUGGUSA-N 2 2 354.495 0.600 20 0 FCADLP CCO[C@@H]1COC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656247043 492566380 /nfs/dbraw/zinc/56/63/80/492566380.db2.gz MUKCHIGQBBZNOC-BRWVUGGUSA-N 2 2 354.495 0.600 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)CC1 ZINC000649661275 492568774 /nfs/dbraw/zinc/56/87/74/492568774.db2.gz ULFXELJVQWYZPN-LJQANCHMSA-N 2 2 370.497 0.856 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)CC1 ZINC000649661275 492568777 /nfs/dbraw/zinc/56/87/77/492568777.db2.gz ULFXELJVQWYZPN-LJQANCHMSA-N 2 2 370.497 0.856 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656284388 492568822 /nfs/dbraw/zinc/56/88/22/492568822.db2.gz QTQKABHUFHCHGM-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656284388 492568826 /nfs/dbraw/zinc/56/88/26/492568826.db2.gz QTQKABHUFHCHGM-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636329190 492582038 /nfs/dbraw/zinc/58/20/38/492582038.db2.gz JUYIFLGCCFLSNS-UHFFFAOYSA-N 2 2 361.490 0.522 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1C ZINC000656311767 492585854 /nfs/dbraw/zinc/58/58/54/492585854.db2.gz HTCCXWKAOUMTCV-HUUCEWRRSA-N 2 2 362.478 0.235 20 0 FCADLP NC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000643861373 492586591 /nfs/dbraw/zinc/58/65/91/492586591.db2.gz IDFGUVBMGPSDJG-QGZVFWFLSA-N 2 2 370.457 0.656 20 0 FCADLP NC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000643861373 492586595 /nfs/dbraw/zinc/58/65/95/492586595.db2.gz IDFGUVBMGPSDJG-QGZVFWFLSA-N 2 2 370.457 0.656 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000623757436 492592277 /nfs/dbraw/zinc/59/22/77/492592277.db2.gz WVKOLSDFQCUSAX-OAHLLOKOSA-N 2 2 351.447 0.366 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000623757436 492592281 /nfs/dbraw/zinc/59/22/81/492592281.db2.gz WVKOLSDFQCUSAX-OAHLLOKOSA-N 2 2 351.447 0.366 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000636488498 492598548 /nfs/dbraw/zinc/59/85/48/492598548.db2.gz XVSWRKXZKFTRSS-GOSISDBHSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000636488498 492598552 /nfs/dbraw/zinc/59/85/52/492598552.db2.gz XVSWRKXZKFTRSS-GOSISDBHSA-N 2 2 362.474 0.385 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000636500943 492603053 /nfs/dbraw/zinc/60/30/53/492603053.db2.gz PDTRZYRRZDKTHL-HNNXBMFYSA-N 2 2 365.478 0.621 20 0 FCADLP Nc1nc(N)[nH+]c(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000623911577 492605755 /nfs/dbraw/zinc/60/57/55/492605755.db2.gz GKIZHXQFCHYMGB-CQSZACIVSA-N 2 2 369.477 0.130 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650090325 492613202 /nfs/dbraw/zinc/61/32/02/492613202.db2.gz IDFYEEBJLIYEES-OAHLLOKOSA-N 2 2 361.446 0.509 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650090325 492613204 /nfs/dbraw/zinc/61/32/04/492613204.db2.gz IDFYEEBJLIYEES-OAHLLOKOSA-N 2 2 361.446 0.509 20 0 FCADLP C[C@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000636551682 492620338 /nfs/dbraw/zinc/62/03/38/492620338.db2.gz CGQGDRMZQXVSNU-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP OCc1cc(-n2cc(CN3CCC([NH2+]C4CCOCC4)CC3)nn2)cc[nH+]1 ZINC000656459272 492622617 /nfs/dbraw/zinc/62/26/17/492622617.db2.gz STAMTQIVFIEWIS-UHFFFAOYSA-N 2 2 372.473 0.888 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578592 492627961 /nfs/dbraw/zinc/62/79/61/492627961.db2.gz MBNSIYUSVDOQDN-FUHWJXTLSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578592 492627967 /nfs/dbraw/zinc/62/79/67/492627967.db2.gz MBNSIYUSVDOQDN-FUHWJXTLSA-N 2 2 358.490 0.973 20 0 FCADLP CN1CCN(c2cc(N3CCC([C@H]4CCC[NH2+]C4)CC3)[nH+]cn2)CC1=O ZINC000656608844 492636411 /nfs/dbraw/zinc/63/64/11/492636411.db2.gz NJTHJQHPTPELEK-INIZCTEOSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC([C@H]4CCC[NH2+]C4)CC3)nc[nH+]2)CC1=O ZINC000656608844 492636413 /nfs/dbraw/zinc/63/64/13/492636413.db2.gz NJTHJQHPTPELEK-INIZCTEOSA-N 2 2 358.490 0.971 20 0 FCADLP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623817 492641133 /nfs/dbraw/zinc/64/11/33/492641133.db2.gz GBQZNSHHDHHRBD-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623817 492641135 /nfs/dbraw/zinc/64/11/35/492641135.db2.gz GBQZNSHHDHHRBD-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000636623817 492641138 /nfs/dbraw/zinc/64/11/38/492641138.db2.gz GBQZNSHHDHHRBD-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000636623817 492641141 /nfs/dbraw/zinc/64/11/41/492641141.db2.gz GBQZNSHHDHHRBD-CRAIPNDOSA-N 2 2 354.495 0.386 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000636620729 492641512 /nfs/dbraw/zinc/64/15/12/492641512.db2.gz PVHIGVOLWKXWOV-UHFFFAOYSA-N 2 2 359.430 0.625 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629560204 492645726 /nfs/dbraw/zinc/64/57/26/492645726.db2.gz DPAOSIDQUHCZID-MCIONIFRSA-N 2 2 364.412 0.573 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629560204 492645729 /nfs/dbraw/zinc/64/57/29/492645729.db2.gz DPAOSIDQUHCZID-MCIONIFRSA-N 2 2 364.412 0.573 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000650611359 492654573 /nfs/dbraw/zinc/65/45/73/492654573.db2.gz ITFHBHZQZQKVJF-QZTJIDSGSA-N 2 2 368.522 0.584 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000650611359 492654577 /nfs/dbraw/zinc/65/45/77/492654577.db2.gz ITFHBHZQZQKVJF-QZTJIDSGSA-N 2 2 368.522 0.584 20 0 FCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000629580816 492656890 /nfs/dbraw/zinc/65/68/90/492656890.db2.gz ZKYICAWFZICZGI-UHFFFAOYSA-N 2 2 352.826 0.766 20 0 FCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000629580816 492656891 /nfs/dbraw/zinc/65/68/91/492656891.db2.gz ZKYICAWFZICZGI-UHFFFAOYSA-N 2 2 352.826 0.766 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636688383 492661454 /nfs/dbraw/zinc/66/14/54/492661454.db2.gz IAUXFPQKOQWFQP-KRWDZBQOSA-N 2 2 351.451 0.107 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636688383 492661459 /nfs/dbraw/zinc/66/14/59/492661459.db2.gz IAUXFPQKOQWFQP-KRWDZBQOSA-N 2 2 351.451 0.107 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1[nH+]ccn1C ZINC000624611624 492665962 /nfs/dbraw/zinc/66/59/62/492665962.db2.gz XLEUJVHMKVQPOU-KCXAZCMYSA-N 2 2 361.446 0.061 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1[nH+]ccn1C ZINC000624611624 492665967 /nfs/dbraw/zinc/66/59/67/492665967.db2.gz XLEUJVHMKVQPOU-KCXAZCMYSA-N 2 2 361.446 0.061 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000650849266 492675256 /nfs/dbraw/zinc/67/52/56/492675256.db2.gz HBONHUDXXNDQMW-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000650849266 492675260 /nfs/dbraw/zinc/67/52/60/492675260.db2.gz HBONHUDXXNDQMW-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000650895809 492682712 /nfs/dbraw/zinc/68/27/12/492682712.db2.gz GZFMERFAUUFESY-KRWDZBQOSA-N 2 2 354.495 0.461 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000650895809 492682715 /nfs/dbraw/zinc/68/27/15/492682715.db2.gz GZFMERFAUUFESY-KRWDZBQOSA-N 2 2 354.495 0.461 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000650970114 492688932 /nfs/dbraw/zinc/68/89/32/492688932.db2.gz NDMKMTKCBFZZIJ-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000650970114 492688936 /nfs/dbraw/zinc/68/89/36/492688936.db2.gz NDMKMTKCBFZZIJ-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](O)C2)CCO1 ZINC000644357447 492722538 /nfs/dbraw/zinc/72/25/38/492722538.db2.gz ZGDVSMLKIDVJHJ-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@H](O)C2)CCO1 ZINC000644357447 492722542 /nfs/dbraw/zinc/72/25/42/492722542.db2.gz ZGDVSMLKIDVJHJ-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000644357447 492722544 /nfs/dbraw/zinc/72/25/44/492722544.db2.gz ZGDVSMLKIDVJHJ-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CCO1 ZINC000644357447 492722545 /nfs/dbraw/zinc/72/25/45/492722545.db2.gz ZGDVSMLKIDVJHJ-XHSDSOJGSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](O)C2)CCO1 ZINC000644357445 492722929 /nfs/dbraw/zinc/72/29/29/492722929.db2.gz ZGDVSMLKIDVJHJ-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2[NH+]2CC[C@@H](O)C2)CCO1 ZINC000644357445 492722933 /nfs/dbraw/zinc/72/29/33/492722933.db2.gz ZGDVSMLKIDVJHJ-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000644357445 492722934 /nfs/dbraw/zinc/72/29/34/492722934.db2.gz ZGDVSMLKIDVJHJ-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000644357445 492722939 /nfs/dbraw/zinc/72/29/39/492722939.db2.gz ZGDVSMLKIDVJHJ-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CCC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(CC)[C@H]2c2[nH+]ccn2C)CC1 ZINC000625230030 492742597 /nfs/dbraw/zinc/74/25/97/492742597.db2.gz CTSNTLCMCSPLQH-HZPDHXFCSA-N 2 2 363.462 0.263 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000637007055 492747842 /nfs/dbraw/zinc/74/78/42/492747842.db2.gz MAQGFALCTUEEAP-UHFFFAOYSA-N 2 2 370.457 0.792 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625383575 492770481 /nfs/dbraw/zinc/77/04/81/492770481.db2.gz MVYQMIHRRGMIHC-BPUTZDHNSA-N 2 2 363.462 0.167 20 0 FCADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657721720 492783379 /nfs/dbraw/zinc/78/33/79/492783379.db2.gz RCHMCUXGMMTKNC-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1ccccc1 ZINC000644569123 492785399 /nfs/dbraw/zinc/78/53/99/492785399.db2.gz JMYACYRAEDJHPC-VQTJNVASSA-N 2 2 363.502 0.560 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccc(F)cc1 ZINC000644569154 492785574 /nfs/dbraw/zinc/78/55/74/492785574.db2.gz PVGOEIRCZOTFQG-ZWKOTPCHSA-N 2 2 367.465 0.562 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580137 492788289 /nfs/dbraw/zinc/78/82/89/492788289.db2.gz WESYUDPJRHOZHU-LZQZEXGQSA-N 2 2 371.485 0.996 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580137 492788293 /nfs/dbraw/zinc/78/82/93/492788293.db2.gz WESYUDPJRHOZHU-LZQZEXGQSA-N 2 2 371.485 0.996 20 0 FCADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000657745443 492788584 /nfs/dbraw/zinc/78/85/84/492788584.db2.gz QPEKUQWNNOZPKW-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657745187 492789169 /nfs/dbraw/zinc/78/91/69/492789169.db2.gz OYXTXMLTUZDLRN-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)C1CC1 ZINC000644622468 492791928 /nfs/dbraw/zinc/79/19/28/492791928.db2.gz FATXAIMMGZIMFZ-KRWDZBQOSA-N 2 2 353.488 0.771 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)C1CC1 ZINC000644622468 492791932 /nfs/dbraw/zinc/79/19/32/492791932.db2.gz FATXAIMMGZIMFZ-KRWDZBQOSA-N 2 2 353.488 0.771 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3nnc4n3CCOC4)c2cc1C ZINC000644631839 492794207 /nfs/dbraw/zinc/79/42/07/492794207.db2.gz BTKIWUQOYMNJDZ-CQSZACIVSA-N 2 2 356.430 0.926 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)cc2[nH+]1 ZINC000657812082 492798332 /nfs/dbraw/zinc/79/83/32/492798332.db2.gz FUQKFYFFTWMSNG-UHFFFAOYSA-N 2 2 359.430 0.496 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cc2[nH+]1 ZINC000657812082 492798335 /nfs/dbraw/zinc/79/83/35/492798335.db2.gz FUQKFYFFTWMSNG-UHFFFAOYSA-N 2 2 359.430 0.496 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262456 492801238 /nfs/dbraw/zinc/80/12/38/492801238.db2.gz FNWHEMBEWVYMCR-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262456 492801242 /nfs/dbraw/zinc/80/12/42/492801242.db2.gz FNWHEMBEWVYMCR-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000637262456 492801246 /nfs/dbraw/zinc/80/12/46/492801246.db2.gz FNWHEMBEWVYMCR-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000637262456 492801251 /nfs/dbraw/zinc/80/12/51/492801251.db2.gz FNWHEMBEWVYMCR-DNVCBOLYSA-N 2 2 368.522 0.774 20 0 FCADLP Cn1cc(N2C[C@@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519042 492807259 /nfs/dbraw/zinc/80/72/59/492807259.db2.gz HYMPIQGRGRLBTF-LSDHHAIUSA-N 2 2 374.489 0.058 20 0 FCADLP Cn1cc(N2C[C@@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519042 492807262 /nfs/dbraw/zinc/80/72/62/492807262.db2.gz HYMPIQGRGRLBTF-LSDHHAIUSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257813 492807456 /nfs/dbraw/zinc/80/74/56/492807456.db2.gz FSFJWNZBNQAJEQ-ACJLOTCBSA-N 2 2 361.442 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COc4ccc(O)cc4O3)C2)CC1 ZINC000631257813 492807459 /nfs/dbraw/zinc/80/74/59/492807459.db2.gz FSFJWNZBNQAJEQ-ACJLOTCBSA-N 2 2 361.442 0.817 20 0 FCADLP Cn1cc(N2C[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519040 492807508 /nfs/dbraw/zinc/80/75/08/492807508.db2.gz HYMPIQGRGRLBTF-GJZGRUSLSA-N 2 2 374.489 0.058 20 0 FCADLP Cn1cc(N2C[C@@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519040 492807512 /nfs/dbraw/zinc/80/75/12/492807512.db2.gz HYMPIQGRGRLBTF-GJZGRUSLSA-N 2 2 374.489 0.058 20 0 FCADLP NS(=O)(=O)c1ccc(OCC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625552653 492818753 /nfs/dbraw/zinc/81/87/53/492818753.db2.gz AUACWZGVCQCYAD-UHFFFAOYSA-N 2 2 369.487 0.509 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3CCCO)cc2[nH+]1 ZINC000657983686 492825755 /nfs/dbraw/zinc/82/57/55/492825755.db2.gz YXRPCCFXTVLLKO-HNNXBMFYSA-N 2 2 359.430 0.544 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3CCCO)cc2[nH+]1 ZINC000657983686 492825757 /nfs/dbraw/zinc/82/57/57/492825757.db2.gz YXRPCCFXTVLLKO-HNNXBMFYSA-N 2 2 359.430 0.544 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637440269 492828790 /nfs/dbraw/zinc/82/87/90/492828790.db2.gz IZFRCQKYORAERJ-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637440269 492828795 /nfs/dbraw/zinc/82/87/95/492828795.db2.gz IZFRCQKYORAERJ-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637440269 492828799 /nfs/dbraw/zinc/82/87/99/492828799.db2.gz IZFRCQKYORAERJ-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637440269 492828802 /nfs/dbraw/zinc/82/88/02/492828802.db2.gz IZFRCQKYORAERJ-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637440270 492828905 /nfs/dbraw/zinc/82/89/05/492828905.db2.gz IZFRCQKYORAERJ-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637440270 492828909 /nfs/dbraw/zinc/82/89/09/492828909.db2.gz IZFRCQKYORAERJ-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637440270 492828913 /nfs/dbraw/zinc/82/89/13/492828913.db2.gz IZFRCQKYORAERJ-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637440270 492828917 /nfs/dbraw/zinc/82/89/17/492828917.db2.gz IZFRCQKYORAERJ-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000644954248 492833652 /nfs/dbraw/zinc/83/36/52/492833652.db2.gz NQYGHWUXIDUMIY-HUUCEWRRSA-N 2 2 355.446 0.726 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000644954248 492833654 /nfs/dbraw/zinc/83/36/54/492833654.db2.gz NQYGHWUXIDUMIY-HUUCEWRRSA-N 2 2 355.446 0.726 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637477409 492837903 /nfs/dbraw/zinc/83/79/03/492837903.db2.gz UASRKHZRISKHFZ-HNNXBMFYSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637477409 492837905 /nfs/dbraw/zinc/83/79/05/492837905.db2.gz UASRKHZRISKHFZ-HNNXBMFYSA-N 2 2 351.495 0.594 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000625623429 492844636 /nfs/dbraw/zinc/84/46/36/492844636.db2.gz RGGBFOWQURTOKS-BPUTZDHNSA-N 2 2 363.462 0.119 20 0 FCADLP C[C@H]1CN(c2ccc(CNS(=O)(=O)CC3([NH+](C)C)CC3)c[nH+]2)CCO1 ZINC000631755450 492847683 /nfs/dbraw/zinc/84/76/83/492847683.db2.gz BVKSHLDWMNJXBO-AWEZNQCLSA-N 2 2 368.503 0.820 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000631786097 492853154 /nfs/dbraw/zinc/85/31/54/492853154.db2.gz RGIVVVGHLKSWMK-CQSZACIVSA-N 2 2 351.538 0.065 20 0 FCADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637662263 492856965 /nfs/dbraw/zinc/85/69/65/492856965.db2.gz SQBPBLKQHGPPGK-MRXNPFEDSA-N 2 2 350.467 0.944 20 0 FCADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637662263 492856970 /nfs/dbraw/zinc/85/69/70/492856970.db2.gz SQBPBLKQHGPPGK-MRXNPFEDSA-N 2 2 350.467 0.944 20 0 FCADLP CCCn1nccc1NC(=O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631827158 492858980 /nfs/dbraw/zinc/85/89/80/492858980.db2.gz GXBGHMFZYASSBD-UHFFFAOYSA-N 2 2 372.477 0.806 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)nn1 ZINC000631847279 492862974 /nfs/dbraw/zinc/86/29/74/492862974.db2.gz QUCCCMKFIRUZKC-ZBFHGGJFSA-N 2 2 356.430 0.624 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)nn1 ZINC000631847279 492862977 /nfs/dbraw/zinc/86/29/77/492862977.db2.gz QUCCCMKFIRUZKC-ZBFHGGJFSA-N 2 2 356.430 0.624 20 0 FCADLP O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000631867788 492866887 /nfs/dbraw/zinc/86/68/87/492866887.db2.gz JRCRHEFJGCVMCO-CTNGQTDRSA-N 2 2 372.513 0.867 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000631911791 492878163 /nfs/dbraw/zinc/87/81/63/492878163.db2.gz RLWXLOXZFYSETH-UHFFFAOYSA-N 2 2 353.492 0.700 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@H](C)CO1 ZINC000658419567 492878802 /nfs/dbraw/zinc/87/88/02/492878802.db2.gz GUKYVVQYOMYTJB-ZIAGYGMSSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@H](C)CO1 ZINC000658419567 492878805 /nfs/dbraw/zinc/87/88/05/492878805.db2.gz GUKYVVQYOMYTJB-ZIAGYGMSSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)[C@H](C)CO1 ZINC000658419567 492878807 /nfs/dbraw/zinc/87/88/07/492878807.db2.gz GUKYVVQYOMYTJB-ZIAGYGMSSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)[C@H](C)CO1 ZINC000658419567 492878809 /nfs/dbraw/zinc/87/88/09/492878809.db2.gz GUKYVVQYOMYTJB-ZIAGYGMSSA-N 2 2 360.458 0.796 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645220841 492879064 /nfs/dbraw/zinc/87/90/64/492879064.db2.gz FAMVHXZQKJTWHF-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000645246027 492882517 /nfs/dbraw/zinc/88/25/17/492882517.db2.gz WPUMBSUMTXYLKM-IBGZPJMESA-N 2 2 355.523 0.944 20 0 FCADLP CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000645246027 492882522 /nfs/dbraw/zinc/88/25/22/492882522.db2.gz WPUMBSUMTXYLKM-IBGZPJMESA-N 2 2 355.523 0.944 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652128002 492884105 /nfs/dbraw/zinc/88/41/05/492884105.db2.gz LQCWBXUNPVEXOW-LTIDMASMSA-N 2 2 354.495 0.635 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000652208730 492894947 /nfs/dbraw/zinc/89/49/47/492894947.db2.gz NTGBWENSQCBTMV-KRWDZBQOSA-N 2 2 350.463 0.677 20 0 FCADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cnc(N)nc2N)CC1 ZINC000638078459 492901129 /nfs/dbraw/zinc/90/11/29/492901129.db2.gz BTTBYCXDLSJLFF-UHFFFAOYSA-N 2 2 371.489 0.564 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCOC4(CC[NH+](C)CC4)C3)[nH+]cn2)C1 ZINC000645385909 492901370 /nfs/dbraw/zinc/90/13/70/492901370.db2.gz VOWOJCIMAOAVPA-JKSUJKDBSA-N 2 2 361.490 0.985 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000625909095 492901592 /nfs/dbraw/zinc/90/15/92/492901592.db2.gz GHDWRHOLVSKFON-SJORKVTESA-N 2 2 358.486 0.740 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000625909095 492901595 /nfs/dbraw/zinc/90/15/95/492901595.db2.gz GHDWRHOLVSKFON-SJORKVTESA-N 2 2 358.486 0.740 20 0 FCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000638137979 492915803 /nfs/dbraw/zinc/91/58/03/492915803.db2.gz RWFHXNZOYYTXGE-PKOBYXMFSA-N 2 2 364.465 0.831 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)[C@H]1c1[nH+]ccn1C ZINC000638268494 492926268 /nfs/dbraw/zinc/92/62/68/492926268.db2.gz WUECDTUZVNXIAE-KBMXLJTQSA-N 2 2 363.462 0.357 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccoc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000658540114 492937900 /nfs/dbraw/zinc/93/79/00/492937900.db2.gz PJLZHQYBUGGUNF-KRWDZBQOSA-N 2 2 362.474 0.565 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccoc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000658540114 492937901 /nfs/dbraw/zinc/93/79/01/492937901.db2.gz PJLZHQYBUGGUNF-KRWDZBQOSA-N 2 2 362.474 0.565 20 0 FCADLP c1cnc(N2CC[NH+](CCC[NH2+]Cc3cc4c(cn3)OCCO4)CC2)nc1 ZINC000638351742 492939493 /nfs/dbraw/zinc/93/94/93/492939493.db2.gz JEBULFWLOLOIPM-UHFFFAOYSA-N 2 2 370.457 0.945 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCCC2CC[NH2+]CC2)[C@H]1c1[nH+]ccn1C ZINC000638394247 492943849 /nfs/dbraw/zinc/94/38/49/492943849.db2.gz SDPJXQCWQLQXCD-HOTGVXAUSA-N 2 2 363.462 0.214 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc2[nH+]1 ZINC000658569860 492959733 /nfs/dbraw/zinc/95/97/33/492959733.db2.gz GDSXGHWIKWYRIE-UHFFFAOYSA-N 2 2 374.445 0.060 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000652529304 492962894 /nfs/dbraw/zinc/96/28/94/492962894.db2.gz KADNIKAGIQRRPH-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000652529304 492962899 /nfs/dbraw/zinc/96/28/99/492962899.db2.gz KADNIKAGIQRRPH-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652529304 492962901 /nfs/dbraw/zinc/96/29/01/492962901.db2.gz KADNIKAGIQRRPH-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652529304 492962905 /nfs/dbraw/zinc/96/29/05/492962905.db2.gz KADNIKAGIQRRPH-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000652529305 492963450 /nfs/dbraw/zinc/96/34/50/492963450.db2.gz KADNIKAGIQRRPH-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000652529305 492963452 /nfs/dbraw/zinc/96/34/52/492963452.db2.gz KADNIKAGIQRRPH-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652529305 492963454 /nfs/dbraw/zinc/96/34/54/492963454.db2.gz KADNIKAGIQRRPH-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652529305 492963458 /nfs/dbraw/zinc/96/34/58/492963458.db2.gz KADNIKAGIQRRPH-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000638747984 492975272 /nfs/dbraw/zinc/97/52/72/492975272.db2.gz FTQWZWRTXRVKMZ-KBPBESRZSA-N 2 2 359.517 0.863 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000658618269 492981663 /nfs/dbraw/zinc/98/16/63/492981663.db2.gz PLVWVCIORBQLTN-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000658618269 492981667 /nfs/dbraw/zinc/98/16/67/492981667.db2.gz PLVWVCIORBQLTN-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP C[NH+](C)C[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1cccc(C(F)(F)F)c1 ZINC000638831170 492981759 /nfs/dbraw/zinc/98/17/59/492981759.db2.gz JIIXIXRIIUAXSQ-AWEZNQCLSA-N 2 2 372.391 0.856 20 0 FCADLP CC(C)(O)C[NH+]1CCC(Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000638823121 492981791 /nfs/dbraw/zinc/98/17/91/492981791.db2.gz NOJCEJGOBVZRTG-UHFFFAOYSA-N 2 2 351.495 0.863 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)CC2)C1=O ZINC000638856258 492982586 /nfs/dbraw/zinc/98/25/86/492982586.db2.gz LUJKOFNIHJBNRK-HOTGVXAUSA-N 2 2 366.412 0.776 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000638855696 492982896 /nfs/dbraw/zinc/98/28/96/492982896.db2.gz HUCGKKGWAMJRAH-DOTOQJQBSA-N 2 2 360.458 0.506 20 0 FCADLP O=C1NC(=O)N2CC[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]12 ZINC000638914182 492987664 /nfs/dbraw/zinc/98/76/64/492987664.db2.gz OHPBUFFODXPJNY-QGZVFWFLSA-N 2 2 374.441 0.134 20 0 FCADLP O=C1NC(=O)N2CC[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]12 ZINC000638914182 492987667 /nfs/dbraw/zinc/98/76/67/492987667.db2.gz OHPBUFFODXPJNY-QGZVFWFLSA-N 2 2 374.441 0.134 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638941844 492989324 /nfs/dbraw/zinc/98/93/24/492989324.db2.gz XJCKTRISODEIHH-OKILXGFUSA-N 2 2 351.472 0.598 20 0 FCADLP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003543 492991674 /nfs/dbraw/zinc/99/16/74/492991674.db2.gz HZANDYUPOMWUHK-AWEZNQCLSA-N 2 2 355.446 0.277 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000639057209 492994443 /nfs/dbraw/zinc/99/44/43/492994443.db2.gz FNUVAMLTAPGETF-LJQANCHMSA-N 2 2 361.486 0.914 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000639057209 492994446 /nfs/dbraw/zinc/99/44/46/492994446.db2.gz FNUVAMLTAPGETF-LJQANCHMSA-N 2 2 361.486 0.914 20 0 FCADLP CN1CC[NH+](CC2CC[NH+](Cc3ccc(S(N)(=O)=O)o3)CC2)CC1 ZINC000639171052 493001334 /nfs/dbraw/zinc/00/13/34/493001334.db2.gz PBUIVYMBWUTAJO-UHFFFAOYSA-N 2 2 356.492 0.386 20 0 FCADLP [NH3+][C@H](CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646020856 493002170 /nfs/dbraw/zinc/00/21/70/493002170.db2.gz CUYAHIFQLOHKAZ-ZWKOTPCHSA-N 2 2 374.485 0.516 20 0 FCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000646049653 493009038 /nfs/dbraw/zinc/00/90/38/493009038.db2.gz QKIUJCRKXKBCFO-OAHLLOKOSA-N 2 2 362.478 0.335 20 0 FCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000646049653 493009041 /nfs/dbraw/zinc/00/90/41/493009041.db2.gz QKIUJCRKXKBCFO-OAHLLOKOSA-N 2 2 362.478 0.335 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736846 493013280 /nfs/dbraw/zinc/01/32/80/493013280.db2.gz QYTQMFWGWFMETG-ROUUACIJSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652736846 493013285 /nfs/dbraw/zinc/01/32/85/493013285.db2.gz QYTQMFWGWFMETG-ROUUACIJSA-N 2 2 358.486 0.582 20 0 FCADLP CCCn1nccc1NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000639557744 493019827 /nfs/dbraw/zinc/01/98/27/493019827.db2.gz OKXDVHLBRMGVEO-UHFFFAOYSA-N 2 2 365.478 0.391 20 0 FCADLP CC(C)[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457770 493050459 /nfs/dbraw/zinc/05/04/59/493050459.db2.gz DMITVUURYAHZJD-ZIFCJYIRSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457770 493050462 /nfs/dbraw/zinc/05/04/62/493050462.db2.gz DMITVUURYAHZJD-ZIFCJYIRSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457770 493050466 /nfs/dbraw/zinc/05/04/66/493050466.db2.gz DMITVUURYAHZJD-ZIFCJYIRSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000646457770 493050467 /nfs/dbraw/zinc/05/04/67/493050467.db2.gz DMITVUURYAHZJD-ZIFCJYIRSA-N 2 2 366.550 0.826 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+]1CCOCC1 ZINC000646460456 493050622 /nfs/dbraw/zinc/05/06/22/493050622.db2.gz HNHDNQUVCZSNCL-IBGZPJMESA-N 2 2 366.550 0.829 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000646460456 493050624 /nfs/dbraw/zinc/05/06/24/493050624.db2.gz HNHDNQUVCZSNCL-IBGZPJMESA-N 2 2 366.550 0.829 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000653045946 493064032 /nfs/dbraw/zinc/06/40/32/493064032.db2.gz XXVBNRIFBWWFKT-OAHLLOKOSA-N 2 2 359.474 0.432 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658807622 493064458 /nfs/dbraw/zinc/06/44/58/493064458.db2.gz PDNYAPSTGCQTAE-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658807622 493064461 /nfs/dbraw/zinc/06/44/61/493064461.db2.gz PDNYAPSTGCQTAE-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653060627 493065434 /nfs/dbraw/zinc/06/54/34/493065434.db2.gz KKERJVUUKXJCSO-OAHLLOKOSA-N 2 2 356.492 0.983 20 0 FCADLP Cc1cccc([C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000626933915 493066453 /nfs/dbraw/zinc/06/64/53/493066453.db2.gz PRZXWNAMARTRDJ-ROUUACIJSA-N 2 2 362.474 0.656 20 0 FCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)N(C)C ZINC000653069251 493066422 /nfs/dbraw/zinc/06/64/22/493066422.db2.gz HUXHBACZFAQWGA-HOTGVXAUSA-N 2 2 364.490 1.000 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000653071660 493066443 /nfs/dbraw/zinc/06/64/43/493066443.db2.gz OOTXSFSFHQDCNH-INIZCTEOSA-N 2 2 366.437 0.154 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000653082757 493068032 /nfs/dbraw/zinc/06/80/32/493068032.db2.gz COYNOXWMOJKOFB-GOSISDBHSA-N 2 2 360.502 0.959 20 0 FCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000653085097 493068664 /nfs/dbraw/zinc/06/86/64/493068664.db2.gz CQNGUBGVJKXYQB-SWLSCSKDSA-N 2 2 356.492 0.393 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000653098357 493069668 /nfs/dbraw/zinc/06/96/68/493069668.db2.gz KRYYEXLUQPDXRT-SWLSCSKDSA-N 2 2 360.380 0.801 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2=O)c1 ZINC000653100759 493070809 /nfs/dbraw/zinc/07/08/09/493070809.db2.gz XRTZNUFWDKMULO-JKSUJKDBSA-N 2 2 364.446 0.204 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000653114695 493072467 /nfs/dbraw/zinc/07/24/67/493072467.db2.gz SZBPPAUMKXQLHI-INIZCTEOSA-N 2 2 359.474 0.626 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000653122272 493074531 /nfs/dbraw/zinc/07/45/31/493074531.db2.gz RTNFHDJANQQQPQ-SECBINFHSA-N 2 2 355.240 0.616 20 0 FCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000653153490 493077984 /nfs/dbraw/zinc/07/79/84/493077984.db2.gz QLLLGTNKWIYLAW-OLZOCXBDSA-N 2 2 371.279 0.713 20 0 FCADLP CSc1ccc(OC[C@@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640051538 493081043 /nfs/dbraw/zinc/08/10/43/493081043.db2.gz QEYRDDKGEWQFHZ-HNNXBMFYSA-N 2 2 367.515 0.854 20 0 FCADLP CSc1ccc(OC[C@@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640051538 493081048 /nfs/dbraw/zinc/08/10/48/493081048.db2.gz QEYRDDKGEWQFHZ-HNNXBMFYSA-N 2 2 367.515 0.854 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653349974 493096733 /nfs/dbraw/zinc/09/67/33/493096733.db2.gz GFNPGECFLMREBB-GOSISDBHSA-N 2 2 360.502 0.830 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653349974 493096737 /nfs/dbraw/zinc/09/67/37/493096737.db2.gz GFNPGECFLMREBB-GOSISDBHSA-N 2 2 360.502 0.830 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646802790 493099025 /nfs/dbraw/zinc/09/90/25/493099025.db2.gz HQZQKLLCDPCFRV-HNNXBMFYSA-N 2 2 371.445 0.054 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646802790 493099028 /nfs/dbraw/zinc/09/90/28/493099028.db2.gz HQZQKLLCDPCFRV-HNNXBMFYSA-N 2 2 371.445 0.054 20 0 FCADLP CC1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC000640491573 493109626 /nfs/dbraw/zinc/10/96/26/493109626.db2.gz BRGKXDMESVBJCY-UHFFFAOYSA-N 2 2 351.495 0.326 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)CC2 ZINC000646840351 493110700 /nfs/dbraw/zinc/11/07/00/493110700.db2.gz KXDGKXWTTMUXMM-ACJLOTCBSA-N 2 2 363.458 0.637 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)CC2 ZINC000646840351 493110703 /nfs/dbraw/zinc/11/07/03/493110703.db2.gz KXDGKXWTTMUXMM-ACJLOTCBSA-N 2 2 363.458 0.637 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383401 493110949 /nfs/dbraw/zinc/11/09/49/493110949.db2.gz NNQPUVFEKVYHTG-IEBWSBKVSA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383401 493110951 /nfs/dbraw/zinc/11/09/51/493110951.db2.gz NNQPUVFEKVYHTG-IEBWSBKVSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383401 493110953 /nfs/dbraw/zinc/11/09/53/493110953.db2.gz NNQPUVFEKVYHTG-IEBWSBKVSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](Cc2ccccc2)C1 ZINC000653383401 493110955 /nfs/dbraw/zinc/11/09/55/493110955.db2.gz NNQPUVFEKVYHTG-IEBWSBKVSA-N 2 2 370.497 0.725 20 0 FCADLP CC1(C)[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C[C@H]1[NH+]1CCOCC1 ZINC000640520371 493111244 /nfs/dbraw/zinc/11/12/44/493111244.db2.gz QYGDPXFBWLTEIC-HZPDHXFCSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390215 493114689 /nfs/dbraw/zinc/11/46/89/493114689.db2.gz VDZVVSPRKDTIEP-APWZRJJASA-N 2 2 372.513 0.971 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390215 493114691 /nfs/dbraw/zinc/11/46/91/493114691.db2.gz VDZVVSPRKDTIEP-APWZRJJASA-N 2 2 372.513 0.971 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000653390215 493114693 /nfs/dbraw/zinc/11/46/93/493114693.db2.gz VDZVVSPRKDTIEP-APWZRJJASA-N 2 2 372.513 0.971 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000653390215 493114695 /nfs/dbraw/zinc/11/46/95/493114695.db2.gz VDZVVSPRKDTIEP-APWZRJJASA-N 2 2 372.513 0.971 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257555 493120501 /nfs/dbraw/zinc/12/05/01/493120501.db2.gz JFXGOJIXJOQYBO-RTBURBONSA-N 2 2 359.470 0.800 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627257555 493120502 /nfs/dbraw/zinc/12/05/02/493120502.db2.gz JFXGOJIXJOQYBO-RTBURBONSA-N 2 2 359.470 0.800 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CCC1 ZINC000653404662 493123290 /nfs/dbraw/zinc/12/32/90/493123290.db2.gz KTHZELXGLSZDEQ-SFHVURJKSA-N 2 2 372.513 0.972 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CCC1 ZINC000653404662 493123293 /nfs/dbraw/zinc/12/32/93/493123293.db2.gz KTHZELXGLSZDEQ-SFHVURJKSA-N 2 2 372.513 0.972 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[N@@H+]1CCO ZINC000659065615 493135129 /nfs/dbraw/zinc/13/51/29/493135129.db2.gz MDWMELKBABLUCT-UHFFFAOYSA-N 2 2 363.462 0.031 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC[N@H+]1CCO ZINC000659065615 493135134 /nfs/dbraw/zinc/13/51/34/493135134.db2.gz MDWMELKBABLUCT-UHFFFAOYSA-N 2 2 363.462 0.031 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974546 493137540 /nfs/dbraw/zinc/13/75/40/493137540.db2.gz SNKBMBOVJSYTLO-IRXDYDNUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974546 493137542 /nfs/dbraw/zinc/13/75/42/493137542.db2.gz SNKBMBOVJSYTLO-IRXDYDNUSA-N 2 2 364.490 0.053 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000627311889 493146049 /nfs/dbraw/zinc/14/60/49/493146049.db2.gz JTSJBNLCHYGRBA-UHFFFAOYSA-N 2 2 363.393 0.061 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627312568 493147030 /nfs/dbraw/zinc/14/70/30/493147030.db2.gz BQJYVHVOCFXWKG-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000659133323 493162755 /nfs/dbraw/zinc/16/27/55/493162755.db2.gz SESPUQJEUBHSBK-AWEZNQCLSA-N 2 2 363.462 0.378 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000659133323 493162756 /nfs/dbraw/zinc/16/27/56/493162756.db2.gz SESPUQJEUBHSBK-AWEZNQCLSA-N 2 2 363.462 0.378 20 0 FCADLP COCCOc1ccc(CNC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000653646135 493164985 /nfs/dbraw/zinc/16/49/85/493164985.db2.gz VZDHHGASQCGSQT-UHFFFAOYSA-N 2 2 373.457 0.873 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000659431253 493174839 /nfs/dbraw/zinc/17/48/39/493174839.db2.gz KGQHSBRMSFWYEX-UHFFFAOYSA-N 2 2 357.418 0.636 20 0 FCADLP CCN(CCOC)c1cccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)[nH+]1 ZINC000641168942 493175111 /nfs/dbraw/zinc/17/51/11/493175111.db2.gz DXDNDDXQLUCGIU-UHFFFAOYSA-N 2 2 373.505 0.642 20 0 FCADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627397886 493201948 /nfs/dbraw/zinc/20/19/48/493201948.db2.gz YRCQIWOEKANVGE-CABCVRRESA-N 2 2 364.446 0.027 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000681709785 493207980 /nfs/dbraw/zinc/20/79/80/493207980.db2.gz LJGZYBHOKLWRRI-GDBMZVCRSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000681709785 493207986 /nfs/dbraw/zinc/20/79/86/493207986.db2.gz LJGZYBHOKLWRRI-GDBMZVCRSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000654104389 493208764 /nfs/dbraw/zinc/20/87/64/493208764.db2.gz PEQFHWRSJMUYGW-MLGOLLRUSA-N 2 2 374.449 0.320 20 0 FCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637871 493219622 /nfs/dbraw/zinc/21/96/22/493219622.db2.gz OQXDROVSSNCJBO-HNAYVOBHSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637871 493219624 /nfs/dbraw/zinc/21/96/24/493219624.db2.gz OQXDROVSSNCJBO-HNAYVOBHSA-N 2 2 366.506 0.299 20 0 FCADLP CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637803 493220274 /nfs/dbraw/zinc/22/02/74/493220274.db2.gz CKHPRVOCTWDDDV-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637803 493220276 /nfs/dbraw/zinc/22/02/76/493220276.db2.gz CKHPRVOCTWDDDV-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639360 493222047 /nfs/dbraw/zinc/22/20/47/493222047.db2.gz MFFILEORIPRBNQ-PMPSAXMXSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639360 493222049 /nfs/dbraw/zinc/22/20/49/493222049.db2.gz MFFILEORIPRBNQ-PMPSAXMXSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000666757310 493222281 /nfs/dbraw/zinc/22/22/81/493222281.db2.gz QPZZFYZOUPQZDB-KRWDZBQOSA-N 2 2 356.511 0.443 20 0 FCADLP CCO[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640768 493223311 /nfs/dbraw/zinc/22/33/11/493223311.db2.gz ZNECWNDOCLEBNL-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CCO[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640768 493223315 /nfs/dbraw/zinc/22/33/15/493223315.db2.gz ZNECWNDOCLEBNL-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP COCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640373 493223418 /nfs/dbraw/zinc/22/34/18/493223418.db2.gz BUXAUYRUGDIPKG-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP COCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640373 493223422 /nfs/dbraw/zinc/22/34/22/493223422.db2.gz BUXAUYRUGDIPKG-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640765 493223691 /nfs/dbraw/zinc/22/36/91/493223691.db2.gz ZNECWNDOCLEBNL-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640765 493223694 /nfs/dbraw/zinc/22/36/94/493223694.db2.gz ZNECWNDOCLEBNL-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CCSCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641134 493224654 /nfs/dbraw/zinc/22/46/54/493224654.db2.gz NGUIILHYGLPEKL-HUUCEWRRSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@@H]1CCSCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641134 493224656 /nfs/dbraw/zinc/22/46/56/493224656.db2.gz NGUIILHYGLPEKL-HUUCEWRRSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@@]1(C)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641391 493225679 /nfs/dbraw/zinc/22/56/79/493225679.db2.gz PWFNKZXDOKMARV-KXBFYZLASA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@]1(C)CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641391 493225681 /nfs/dbraw/zinc/22/56/81/493225681.db2.gz PWFNKZXDOKMARV-KXBFYZLASA-N 2 2 350.507 0.920 20 0 FCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642040 493225807 /nfs/dbraw/zinc/22/58/07/493225807.db2.gz WLBPUTAYPSQYIL-LSDHHAIUSA-N 2 2 368.522 0.591 20 0 FCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642040 493225808 /nfs/dbraw/zinc/22/58/08/493225808.db2.gz WLBPUTAYPSQYIL-LSDHHAIUSA-N 2 2 368.522 0.591 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642282 493225826 /nfs/dbraw/zinc/22/58/26/493225826.db2.gz DZSUJFPIMLTVKO-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642282 493225828 /nfs/dbraw/zinc/22/58/28/493225828.db2.gz DZSUJFPIMLTVKO-GDBMZVCRSA-N 2 2 354.495 0.058 20 0 FCADLP CN(Cc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642049 493226059 /nfs/dbraw/zinc/22/60/59/493226059.db2.gz WQSOCWAZKDTKDH-INIZCTEOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(Cc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642049 493226062 /nfs/dbraw/zinc/22/60/62/493226062.db2.gz WQSOCWAZKDTKDH-INIZCTEOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642263 493226288 /nfs/dbraw/zinc/22/62/88/493226288.db2.gz CYJACUSDRVNDIV-OAHLLOKOSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642263 493226292 /nfs/dbraw/zinc/22/62/92/493226292.db2.gz CYJACUSDRVNDIV-OAHLLOKOSA-N 2 2 368.522 0.545 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000659640446 493227268 /nfs/dbraw/zinc/22/72/68/493227268.db2.gz GEJNDSSQYVQWQF-SQWLQELKSA-N 2 2 362.478 0.723 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642918 493227521 /nfs/dbraw/zinc/22/75/21/493227521.db2.gz JUHMFGVDRCVRIG-LSDHHAIUSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642918 493227523 /nfs/dbraw/zinc/22/75/23/493227523.db2.gz JUHMFGVDRCVRIG-LSDHHAIUSA-N 2 2 368.547 0.625 20 0 FCADLP CCC(O)(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642967 493227554 /nfs/dbraw/zinc/22/75/54/493227554.db2.gz YRWFCHOLMYRLGB-OAHLLOKOSA-N 2 2 368.522 0.329 20 0 FCADLP CCC(O)(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642967 493227556 /nfs/dbraw/zinc/22/75/56/493227556.db2.gz YRWFCHOLMYRLGB-OAHLLOKOSA-N 2 2 368.522 0.329 20 0 FCADLP CN(C[C@@H]1CCCOC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642758 493227819 /nfs/dbraw/zinc/22/78/19/493227819.db2.gz HIOYUDFTRWIRMG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C[C@@H]1CCCOC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642758 493227822 /nfs/dbraw/zinc/22/78/22/493227822.db2.gz HIOYUDFTRWIRMG-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000672695753 493234352 /nfs/dbraw/zinc/23/43/52/493234352.db2.gz TXATXCCIUKMCLS-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000672696124 493234682 /nfs/dbraw/zinc/23/46/82/493234682.db2.gz NOCXPRFOWLTALU-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000666926626 493238660 /nfs/dbraw/zinc/23/86/60/493238660.db2.gz VBFVWWQZTUWJAC-INIZCTEOSA-N 2 2 353.511 0.666 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000666926626 493238663 /nfs/dbraw/zinc/23/86/63/493238663.db2.gz VBFVWWQZTUWJAC-INIZCTEOSA-N 2 2 353.511 0.666 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000659688439 493254366 /nfs/dbraw/zinc/25/43/66/493254366.db2.gz ZUSIPAMNFSBYHS-UHFFFAOYSA-N 2 2 357.458 0.938 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672882329 493262658 /nfs/dbraw/zinc/26/26/58/493262658.db2.gz RLKKKKVQDAQPIK-UHFFFAOYSA-N 2 2 355.527 0.112 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672882329 493262661 /nfs/dbraw/zinc/26/26/61/493262661.db2.gz RLKKKKVQDAQPIK-UHFFFAOYSA-N 2 2 355.527 0.112 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000641667614 493273061 /nfs/dbraw/zinc/27/30/61/493273061.db2.gz HEAZXCLSNUXETR-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000641667614 493273064 /nfs/dbraw/zinc/27/30/64/493273064.db2.gz HEAZXCLSNUXETR-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682226991 493280848 /nfs/dbraw/zinc/28/08/48/493280848.db2.gz DCCJCYYCNMYPFS-MRXNPFEDSA-N 2 2 374.489 0.604 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682226991 493280851 /nfs/dbraw/zinc/28/08/51/493280851.db2.gz DCCJCYYCNMYPFS-MRXNPFEDSA-N 2 2 374.489 0.604 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000659751822 493286053 /nfs/dbraw/zinc/28/60/53/493286053.db2.gz WTCUPAOTJYUNDQ-CQSZACIVSA-N 2 2 362.478 0.281 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166858 493297202 /nfs/dbraw/zinc/29/72/02/493297202.db2.gz XDKWUKVDMPZIAC-DLBZAZTESA-N 2 2 366.506 0.155 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166858 493297205 /nfs/dbraw/zinc/29/72/05/493297205.db2.gz XDKWUKVDMPZIAC-DLBZAZTESA-N 2 2 366.506 0.155 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000673283998 493311317 /nfs/dbraw/zinc/31/13/17/493311317.db2.gz VHYDVECRJAFPSW-WMZOPIPTSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000673283998 493311320 /nfs/dbraw/zinc/31/13/20/493311320.db2.gz VHYDVECRJAFPSW-WMZOPIPTSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000673286863 493312267 /nfs/dbraw/zinc/31/22/67/493312267.db2.gz VEGVIXAPCUIZPO-QGZVFWFLSA-N 2 2 374.485 0.204 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000673286863 493312269 /nfs/dbraw/zinc/31/22/69/493312269.db2.gz VEGVIXAPCUIZPO-QGZVFWFLSA-N 2 2 374.485 0.204 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000673289950 493313210 /nfs/dbraw/zinc/31/32/10/493313210.db2.gz YEALQFIMKMWNFV-RRQGHBQHSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000673289950 493313214 /nfs/dbraw/zinc/31/32/14/493313214.db2.gz YEALQFIMKMWNFV-RRQGHBQHSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@H+](C)CCO1 ZINC000673289950 493313217 /nfs/dbraw/zinc/31/32/17/493313217.db2.gz YEALQFIMKMWNFV-RRQGHBQHSA-N 2 2 360.458 0.125 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000673289950 493313221 /nfs/dbraw/zinc/31/32/21/493313221.db2.gz YEALQFIMKMWNFV-RRQGHBQHSA-N 2 2 360.458 0.125 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673302992 493314882 /nfs/dbraw/zinc/31/48/82/493314882.db2.gz BWQQMPSHRFYPJS-HOTGVXAUSA-N 2 2 359.474 0.766 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624521 493367560 /nfs/dbraw/zinc/36/75/60/493367560.db2.gz ATTDYEHJTSKRKT-AWEZNQCLSA-N 2 2 359.492 0.346 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624521 493367562 /nfs/dbraw/zinc/36/75/62/493367562.db2.gz ATTDYEHJTSKRKT-AWEZNQCLSA-N 2 2 359.492 0.346 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624521 493367564 /nfs/dbraw/zinc/36/75/64/493367564.db2.gz ATTDYEHJTSKRKT-AWEZNQCLSA-N 2 2 359.492 0.346 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624521 493367566 /nfs/dbraw/zinc/36/75/66/493367566.db2.gz ATTDYEHJTSKRKT-AWEZNQCLSA-N 2 2 359.492 0.346 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624522 493367701 /nfs/dbraw/zinc/36/77/01/493367701.db2.gz ATTDYEHJTSKRKT-CQSZACIVSA-N 2 2 359.492 0.346 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624522 493367702 /nfs/dbraw/zinc/36/77/02/493367702.db2.gz ATTDYEHJTSKRKT-CQSZACIVSA-N 2 2 359.492 0.346 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624522 493367704 /nfs/dbraw/zinc/36/77/04/493367704.db2.gz ATTDYEHJTSKRKT-CQSZACIVSA-N 2 2 359.492 0.346 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000660624522 493367706 /nfs/dbraw/zinc/36/77/06/493367706.db2.gz ATTDYEHJTSKRKT-CQSZACIVSA-N 2 2 359.492 0.346 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000683842222 493373843 /nfs/dbraw/zinc/37/38/43/493373843.db2.gz SAKPHGZWXLHBMP-HLLBOEOZSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000683842222 493373846 /nfs/dbraw/zinc/37/38/46/493373846.db2.gz SAKPHGZWXLHBMP-HLLBOEOZSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842225 493373794 /nfs/dbraw/zinc/37/37/94/493373794.db2.gz SAKPHGZWXLHBMP-UXLLHSPISA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842225 493373797 /nfs/dbraw/zinc/37/37/97/493373797.db2.gz SAKPHGZWXLHBMP-UXLLHSPISA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000683842225 493373800 /nfs/dbraw/zinc/37/38/00/493373800.db2.gz SAKPHGZWXLHBMP-UXLLHSPISA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000683842225 493373804 /nfs/dbraw/zinc/37/38/04/493373804.db2.gz SAKPHGZWXLHBMP-UXLLHSPISA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842222 493373838 /nfs/dbraw/zinc/37/38/38/493373838.db2.gz SAKPHGZWXLHBMP-HLLBOEOZSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842222 493373840 /nfs/dbraw/zinc/37/38/40/493373840.db2.gz SAKPHGZWXLHBMP-HLLBOEOZSA-N 2 2 354.495 0.600 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660831759 493383087 /nfs/dbraw/zinc/38/30/87/493383087.db2.gz VEXKKBWGJVOGGH-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660831759 493383089 /nfs/dbraw/zinc/38/30/89/493383089.db2.gz VEXKKBWGJVOGGH-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCC(=O)N1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684000055 493386063 /nfs/dbraw/zinc/38/60/63/493386063.db2.gz LWTKXHUVPZCVHM-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCC(=O)N1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684000055 493386065 /nfs/dbraw/zinc/38/60/65/493386065.db2.gz LWTKXHUVPZCVHM-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638899 493388723 /nfs/dbraw/zinc/38/87/23/493388723.db2.gz CJPNCNLCFLAFOY-DYESRHJHSA-N 2 2 370.497 0.729 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638899 493388724 /nfs/dbraw/zinc/38/87/24/493388724.db2.gz CJPNCNLCFLAFOY-DYESRHJHSA-N 2 2 370.497 0.729 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660909922 493392453 /nfs/dbraw/zinc/39/24/53/493392453.db2.gz RNKKNTWNLZOLAJ-RCCFBDPRSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000668670653 493393869 /nfs/dbraw/zinc/39/38/69/493393869.db2.gz KBHZRBSZEJPTJY-FUHWJXTLSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000668670653 493393871 /nfs/dbraw/zinc/39/38/71/493393871.db2.gz KBHZRBSZEJPTJY-FUHWJXTLSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668670653 493393873 /nfs/dbraw/zinc/39/38/73/493393873.db2.gz KBHZRBSZEJPTJY-FUHWJXTLSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000668670653 493393875 /nfs/dbraw/zinc/39/38/75/493393875.db2.gz KBHZRBSZEJPTJY-FUHWJXTLSA-N 2 2 356.470 0.730 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000668745343 493404610 /nfs/dbraw/zinc/40/46/10/493404610.db2.gz QPQJPCHABIVLTF-YJBOKZPZSA-N 2 2 362.474 0.776 20 0 FCADLP COC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000674329506 493408894 /nfs/dbraw/zinc/40/88/94/493408894.db2.gz DAQKHQBJYRZDSV-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP COC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000674329506 493408898 /nfs/dbraw/zinc/40/88/98/493408898.db2.gz DAQKHQBJYRZDSV-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000684435360 493412571 /nfs/dbraw/zinc/41/25/71/493412571.db2.gz YUNYVRHJBBWDKM-HOTGVXAUSA-N 2 2 372.473 0.894 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000684441268 493413065 /nfs/dbraw/zinc/41/30/65/493413065.db2.gz ASVXRFAXFRDQCD-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000684441268 493413067 /nfs/dbraw/zinc/41/30/67/493413067.db2.gz ASVXRFAXFRDQCD-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000684441268 493413068 /nfs/dbraw/zinc/41/30/68/493413068.db2.gz ASVXRFAXFRDQCD-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000684441268 493413070 /nfs/dbraw/zinc/41/30/70/493413070.db2.gz ASVXRFAXFRDQCD-UHFFFAOYSA-N 2 2 373.505 0.980 20 0 FCADLP CN(CC1=CCSC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668910674 493436131 /nfs/dbraw/zinc/43/61/31/493436131.db2.gz KZIZHAUPRMLZKO-OAHLLOKOSA-N 2 2 366.531 0.403 20 0 FCADLP CN(CC1=CCSC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668910674 493436133 /nfs/dbraw/zinc/43/61/33/493436133.db2.gz KZIZHAUPRMLZKO-OAHLLOKOSA-N 2 2 366.531 0.403 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000668942524 493442078 /nfs/dbraw/zinc/44/20/78/493442078.db2.gz IBMQVYZJLRCJHN-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661551616 493446552 /nfs/dbraw/zinc/44/65/52/493446552.db2.gz UEFIJZBSRGSQRO-OAHLLOKOSA-N 2 2 374.489 0.943 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H]1COCCO1 ZINC000661607435 493451751 /nfs/dbraw/zinc/45/17/51/493451751.db2.gz ZCBDYPJLHMPNFX-QGZVFWFLSA-N 2 2 369.506 0.485 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H]1COCCO1 ZINC000661607435 493451755 /nfs/dbraw/zinc/45/17/55/493451755.db2.gz ZCBDYPJLHMPNFX-QGZVFWFLSA-N 2 2 369.506 0.485 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608008 493452530 /nfs/dbraw/zinc/45/25/30/493452530.db2.gz KMZKVIJPNKINKH-OALUTQOASA-N 2 2 370.497 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608008 493452534 /nfs/dbraw/zinc/45/25/34/493452534.db2.gz KMZKVIJPNKINKH-OALUTQOASA-N 2 2 370.497 0.931 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000661675185 493456884 /nfs/dbraw/zinc/45/68/84/493456884.db2.gz HZNWLCMEZXPTJC-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000661675185 493456887 /nfs/dbraw/zinc/45/68/87/493456887.db2.gz HZNWLCMEZXPTJC-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000675195810 493472820 /nfs/dbraw/zinc/47/28/20/493472820.db2.gz YZFCVRSDUNMNQX-KRWDZBQOSA-N 2 2 365.522 0.810 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305840 493473314 /nfs/dbraw/zinc/47/33/14/493473314.db2.gz ZXFRJPXVUYZEPW-QFBILLFUSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305840 493473318 /nfs/dbraw/zinc/47/33/18/493473318.db2.gz ZXFRJPXVUYZEPW-QFBILLFUSA-N 2 2 370.497 0.930 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199565 493475986 /nfs/dbraw/zinc/47/59/86/493475986.db2.gz ZGDJUVRMNSWXSX-LSDHHAIUSA-N 2 2 359.474 0.766 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199565 493475989 /nfs/dbraw/zinc/47/59/89/493475989.db2.gz ZGDJUVRMNSWXSX-LSDHHAIUSA-N 2 2 359.474 0.766 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675514274 493486117 /nfs/dbraw/zinc/48/61/17/493486117.db2.gz GNDNKQRUQBGBBN-MRXNPFEDSA-N 2 2 371.441 0.701 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675514274 493486119 /nfs/dbraw/zinc/48/61/19/493486119.db2.gz GNDNKQRUQBGBBN-MRXNPFEDSA-N 2 2 371.441 0.701 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000685501167 493498290 /nfs/dbraw/zinc/49/82/90/493498290.db2.gz UDUAEMLNNJBNOE-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000685501167 493498292 /nfs/dbraw/zinc/49/82/92/493498292.db2.gz UDUAEMLNNJBNOE-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000662286501 493502551 /nfs/dbraw/zinc/50/25/51/493502551.db2.gz ISMOWEGYFFKDNF-UHFFFAOYSA-N 2 2 366.893 0.693 20 0 FCADLP CCOc1ccc([C@@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1OC ZINC000662285988 493502873 /nfs/dbraw/zinc/50/28/73/493502873.db2.gz DUSYCRCGIHKWKV-CQSZACIVSA-N 2 2 365.474 0.975 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H](O)CO ZINC000662287493 493503040 /nfs/dbraw/zinc/50/30/40/493503040.db2.gz BCTXZBVELGXLEG-CYBMUJFWSA-N 2 2 360.252 0.392 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H](O)CO ZINC000662287493 493503041 /nfs/dbraw/zinc/50/30/41/493503041.db2.gz BCTXZBVELGXLEG-CYBMUJFWSA-N 2 2 360.252 0.392 20 0 FCADLP COc1cc(C)c([C@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1OC ZINC000662287361 493503225 /nfs/dbraw/zinc/50/32/25/493503225.db2.gz YOCUWLFMWRLYPN-AWEZNQCLSA-N 2 2 365.474 0.894 20 0 FCADLP FCCn1ncnc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338484 493507508 /nfs/dbraw/zinc/50/75/08/493507508.db2.gz SBMZFBSMZMQDTE-AWEZNQCLSA-N 2 2 362.457 0.760 20 0 FCADLP FCCn1ncnc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338484 493507510 /nfs/dbraw/zinc/50/75/10/493507510.db2.gz SBMZFBSMZMQDTE-AWEZNQCLSA-N 2 2 362.457 0.760 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000669506073 493508211 /nfs/dbraw/zinc/50/82/11/493508211.db2.gz QWVALDYBFGKKQH-RBSFLKMASA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)[nH+]cn1 ZINC000669506073 493508212 /nfs/dbraw/zinc/50/82/12/493508212.db2.gz QWVALDYBFGKKQH-RBSFLKMASA-N 2 2 359.478 0.881 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000669533797 493509766 /nfs/dbraw/zinc/50/97/66/493509766.db2.gz BRAJIUMGBVIRSI-OAHLLOKOSA-N 2 2 356.430 0.440 20 0 FCADLP Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662368299 493510367 /nfs/dbraw/zinc/51/03/67/493510367.db2.gz NWMIRXRRKOVOAY-HUUCEWRRSA-N 2 2 350.467 0.208 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662378603 493510982 /nfs/dbraw/zinc/51/09/82/493510982.db2.gz BSEOWYVHKMBYNX-CQSZACIVSA-N 2 2 356.430 0.648 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449616 493516688 /nfs/dbraw/zinc/51/66/88/493516688.db2.gz ZPGLUHKQYULSOP-IEBWSBKVSA-N 2 2 358.486 0.696 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662456042 493517523 /nfs/dbraw/zinc/51/75/23/493517523.db2.gz ULEVWVWIDLCTBV-FZMZJTMJSA-N 2 2 355.280 0.811 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662456042 493517526 /nfs/dbraw/zinc/51/75/26/493517526.db2.gz ULEVWVWIDLCTBV-FZMZJTMJSA-N 2 2 355.280 0.811 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000662457755 493517928 /nfs/dbraw/zinc/51/79/28/493517928.db2.gz MUROSBFFFITUTQ-AYOQOUSVSA-N 3 2 374.533 0.316 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000662457755 493517930 /nfs/dbraw/zinc/51/79/30/493517930.db2.gz MUROSBFFFITUTQ-AYOQOUSVSA-N 3 2 374.533 0.316 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cnn1C ZINC000662534648 493524596 /nfs/dbraw/zinc/52/45/96/493524596.db2.gz MXVWOUFIEHVBRK-DLBZAZTESA-N 2 2 369.473 0.479 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662697612 493532628 /nfs/dbraw/zinc/53/26/28/493532628.db2.gz GSDSCKIURWNNBR-AEFFLSMTSA-N 2 2 363.458 0.378 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000676264204 493537829 /nfs/dbraw/zinc/53/78/29/493537829.db2.gz NKDNGRPUOLDRNB-CABCVRRESA-N 2 2 366.466 0.056 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676264204 493537833 /nfs/dbraw/zinc/53/78/33/493537833.db2.gz NKDNGRPUOLDRNB-CABCVRRESA-N 2 2 366.466 0.056 20 0 FCADLP C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676263828 493537913 /nfs/dbraw/zinc/53/79/13/493537913.db2.gz MPEYGDKORWONRP-WBMJQRKESA-N 2 2 363.462 0.688 20 0 FCADLP C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263828 493537916 /nfs/dbraw/zinc/53/79/16/493537916.db2.gz MPEYGDKORWONRP-WBMJQRKESA-N 2 2 363.462 0.688 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C1(O)C[NH2+]C1 ZINC000662756219 493539622 /nfs/dbraw/zinc/53/96/22/493539622.db2.gz HJUQTAKSOUXSSW-UHFFFAOYSA-N 2 2 352.866 0.303 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662787537 493542139 /nfs/dbraw/zinc/54/21/39/493542139.db2.gz QUWNXSAODQLZAM-MRXNPFEDSA-N 2 2 354.401 0.635 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662787537 493542140 /nfs/dbraw/zinc/54/21/40/493542140.db2.gz QUWNXSAODQLZAM-MRXNPFEDSA-N 2 2 354.401 0.635 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000662791839 493542501 /nfs/dbraw/zinc/54/25/01/493542501.db2.gz MRWDXKVJWBIWTI-XHSDSOJGSA-N 2 2 364.494 0.774 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000662791839 493542503 /nfs/dbraw/zinc/54/25/03/493542503.db2.gz MRWDXKVJWBIWTI-XHSDSOJGSA-N 2 2 364.494 0.774 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676304239 493544072 /nfs/dbraw/zinc/54/40/72/493544072.db2.gz CPAJUPYACPPXQD-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676304239 493544073 /nfs/dbraw/zinc/54/40/73/493544073.db2.gz CPAJUPYACPPXQD-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676304232 493544095 /nfs/dbraw/zinc/54/40/95/493544095.db2.gz CPAJUPYACPPXQD-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676304232 493544096 /nfs/dbraw/zinc/54/40/96/493544096.db2.gz CPAJUPYACPPXQD-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP CS(=O)(=O)CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000662814581 493544310 /nfs/dbraw/zinc/54/43/10/493544310.db2.gz CYMKIKAKORLJES-UHFFFAOYSA-N 2 2 353.488 0.531 20 0 FCADLP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899112 493550176 /nfs/dbraw/zinc/55/01/76/493550176.db2.gz BKEZIXLFTFDJMY-SFHVURJKSA-N 3 2 374.533 0.589 20 0 FCADLP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899112 493550177 /nfs/dbraw/zinc/55/01/77/493550177.db2.gz BKEZIXLFTFDJMY-SFHVURJKSA-N 3 2 374.533 0.589 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574521 493560380 /nfs/dbraw/zinc/56/03/80/493560380.db2.gz PPTYMCKDLHPUQG-HOCLYGCPSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574521 493560383 /nfs/dbraw/zinc/56/03/83/493560383.db2.gz PPTYMCKDLHPUQG-HOCLYGCPSA-N 2 2 353.488 0.067 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCC(=O)N1C ZINC000662973319 493563045 /nfs/dbraw/zinc/56/30/45/493563045.db2.gz YWBCARJUQXYOGN-WQGACYEGSA-N 2 2 371.445 0.312 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccccc3F)C2)CC1 ZINC000670505347 493575701 /nfs/dbraw/zinc/57/57/01/493575701.db2.gz JXHRVEFQFDTJQQ-OAHLLOKOSA-N 2 2 362.449 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccccc3F)C2)CC1 ZINC000670505347 493575703 /nfs/dbraw/zinc/57/57/03/493575703.db2.gz JXHRVEFQFDTJQQ-OAHLLOKOSA-N 2 2 362.449 0.727 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC12CC[NH2+]CC2 ZINC000663217638 493577483 /nfs/dbraw/zinc/57/74/83/493577483.db2.gz OSZPZHKIZCBORB-DOXZYTNZSA-N 3 2 359.474 0.127 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000663523381 493593821 /nfs/dbraw/zinc/59/38/21/493593821.db2.gz JJKWXUKMHZOGGP-HRCADAONSA-N 2 2 361.421 0.965 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)nc[nH+]2)CC1 ZINC000663540691 493594914 /nfs/dbraw/zinc/59/49/14/493594914.db2.gz QCHFLZHSZZZHML-HZPDHXFCSA-N 2 2 361.490 0.863 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000670813418 493599576 /nfs/dbraw/zinc/59/95/76/493599576.db2.gz DJYOBGXSANCDIV-XHSDSOJGSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000670813418 493599578 /nfs/dbraw/zinc/59/95/78/493599578.db2.gz DJYOBGXSANCDIV-XHSDSOJGSA-N 2 2 354.495 0.058 20 0 FCADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000677443353 493601556 /nfs/dbraw/zinc/60/15/56/493601556.db2.gz CWFFBMQCIPSJFC-UHFFFAOYSA-N 2 2 358.442 0.698 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)c3)C2)CC1 ZINC000670840549 493605097 /nfs/dbraw/zinc/60/50/97/493605097.db2.gz SRYMTPOSLRAGLE-MRXNPFEDSA-N 2 2 362.449 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc(F)c3)C2)CC1 ZINC000670840549 493605098 /nfs/dbraw/zinc/60/50/98/493605098.db2.gz SRYMTPOSLRAGLE-MRXNPFEDSA-N 2 2 362.449 0.727 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000663624451 493606174 /nfs/dbraw/zinc/60/61/74/493606174.db2.gz KGYFYTRNYGTRBJ-UHFFFAOYSA-N 2 2 350.467 0.309 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663637716 493608738 /nfs/dbraw/zinc/60/87/38/493608738.db2.gz CSECIOMAKULLND-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000670978580 493618262 /nfs/dbraw/zinc/61/82/62/493618262.db2.gz FNGWUURWFMPHJE-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000670983962 493620115 /nfs/dbraw/zinc/62/01/15/493620115.db2.gz FOGFDMVKKJTILH-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000670983962 493620118 /nfs/dbraw/zinc/62/01/18/493620118.db2.gz FOGFDMVKKJTILH-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000677967642 493627543 /nfs/dbraw/zinc/62/75/43/493627543.db2.gz ARJKNIXYEBMDSP-LSDHHAIUSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000677967642 493627544 /nfs/dbraw/zinc/62/75/44/493627544.db2.gz ARJKNIXYEBMDSP-LSDHHAIUSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000677967642 493627545 /nfs/dbraw/zinc/62/75/45/493627545.db2.gz ARJKNIXYEBMDSP-LSDHHAIUSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[NH+](C)C[C@@H]1C ZINC000677967642 493627546 /nfs/dbraw/zinc/62/75/46/493627546.db2.gz ARJKNIXYEBMDSP-LSDHHAIUSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000664007636 493630043 /nfs/dbraw/zinc/63/00/43/493630043.db2.gz RXEYJIAZMPANLO-UXLLHSPISA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000664007636 493630046 /nfs/dbraw/zinc/63/00/46/493630046.db2.gz RXEYJIAZMPANLO-UXLLHSPISA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000678064103 493632360 /nfs/dbraw/zinc/63/23/60/493632360.db2.gz IIMPXYWUTXQCPF-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000678070012 493632698 /nfs/dbraw/zinc/63/26/98/493632698.db2.gz WUTPRIZNEUUORT-OAHLLOKOSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000678070012 493632700 /nfs/dbraw/zinc/63/27/00/493632700.db2.gz WUTPRIZNEUUORT-OAHLLOKOSA-N 2 2 360.462 0.232 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000678079910 493633356 /nfs/dbraw/zinc/63/33/56/493633356.db2.gz FTUFPXJNNGBJNY-WBVHZDCISA-N 2 2 351.447 0.571 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000678079910 493633358 /nfs/dbraw/zinc/63/33/58/493633358.db2.gz FTUFPXJNNGBJNY-WBVHZDCISA-N 2 2 351.447 0.571 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671103849 493634242 /nfs/dbraw/zinc/63/42/42/493634242.db2.gz PRECJYRJBHKSSB-QZTJIDSGSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671103849 493634245 /nfs/dbraw/zinc/63/42/45/493634245.db2.gz PRECJYRJBHKSSB-QZTJIDSGSA-N 2 2 356.470 0.861 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671104177 493634292 /nfs/dbraw/zinc/63/42/92/493634292.db2.gz HPMMFJZWJUSGBK-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671104177 493634295 /nfs/dbraw/zinc/63/42/95/493634295.db2.gz HPMMFJZWJUSGBK-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671104177 493634296 /nfs/dbraw/zinc/63/42/96/493634296.db2.gz HPMMFJZWJUSGBK-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671104177 493634298 /nfs/dbraw/zinc/63/42/98/493634298.db2.gz HPMMFJZWJUSGBK-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000671172608 493645654 /nfs/dbraw/zinc/64/56/54/493645654.db2.gz XJHUJATZSDHUOK-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671180826 493647152 /nfs/dbraw/zinc/64/71/52/493647152.db2.gz ZLCBCMNNACBCGA-GVDBMIGSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671180826 493647153 /nfs/dbraw/zinc/64/71/53/493647153.db2.gz ZLCBCMNNACBCGA-GVDBMIGSSA-N 2 2 364.490 0.053 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)n1C ZINC000664352685 493655190 /nfs/dbraw/zinc/65/51/90/493655190.db2.gz XWVLKDJLAUUBAA-UHFFFAOYSA-N 2 2 364.494 0.740 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000664490290 493662842 /nfs/dbraw/zinc/66/28/42/493662842.db2.gz JHQIHGBXZFWXFP-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000664490290 493662844 /nfs/dbraw/zinc/66/28/44/493662844.db2.gz JHQIHGBXZFWXFP-BBWFWOEESA-N 2 2 354.495 0.602 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664521016 493665462 /nfs/dbraw/zinc/66/54/62/493665462.db2.gz QICRWGGKKNWJNV-WBVHZDCISA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664521016 493665465 /nfs/dbraw/zinc/66/54/65/493665465.db2.gz QICRWGGKKNWJNV-WBVHZDCISA-N 2 2 359.474 0.901 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000679116289 493669961 /nfs/dbraw/zinc/66/99/61/493669961.db2.gz WFEYWRSQYFTLAW-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)c2ccccc2)CC1 ZINC000679317947 493675366 /nfs/dbraw/zinc/67/53/66/493675366.db2.gz ILSLZTWPGNVRDL-IBGZPJMESA-N 2 2 374.529 0.890 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664758722 493681659 /nfs/dbraw/zinc/68/16/59/493681659.db2.gz FPAATGGTIJIGDV-INIZCTEOSA-N 2 2 352.479 0.092 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664758722 493681661 /nfs/dbraw/zinc/68/16/61/493681661.db2.gz FPAATGGTIJIGDV-INIZCTEOSA-N 2 2 352.479 0.092 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000679506078 493683649 /nfs/dbraw/zinc/68/36/49/493683649.db2.gz PNVGCLMIJWGLGV-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000679506078 493683652 /nfs/dbraw/zinc/68/36/52/493683652.db2.gz PNVGCLMIJWGLGV-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cn21 ZINC000665216703 493705107 /nfs/dbraw/zinc/70/51/07/493705107.db2.gz MEVOAQHXXGROKZ-UHFFFAOYSA-N 2 2 374.489 0.847 20 0 FCADLP COC[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671811511 493706512 /nfs/dbraw/zinc/70/65/12/493706512.db2.gz SJSUWWAYDSOYIE-GOEBONIOSA-N 2 2 354.495 0.012 20 0 FCADLP COC[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671811511 493706513 /nfs/dbraw/zinc/70/65/13/493706513.db2.gz SJSUWWAYDSOYIE-GOEBONIOSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000680086998 493706683 /nfs/dbraw/zinc/70/66/83/493706683.db2.gz ARWYBNPVUUIXBM-KRWDZBQOSA-N 2 2 353.507 0.962 20 0 FCADLP COCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671915088 493714090 /nfs/dbraw/zinc/71/40/90/493714090.db2.gz UAYGLDRCWYQQRS-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP COCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671915088 493714091 /nfs/dbraw/zinc/71/40/91/493714091.db2.gz UAYGLDRCWYQQRS-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000680993211 493740458 /nfs/dbraw/zinc/74/04/58/493740458.db2.gz VQLMFLWEKZLDID-FUHWJXTLSA-N 2 2 363.502 0.968 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000672206632 493742977 /nfs/dbraw/zinc/74/29/77/493742977.db2.gz CICZSMDQOMCJJU-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000672206632 493742979 /nfs/dbraw/zinc/74/29/79/493742979.db2.gz CICZSMDQOMCJJU-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672255106 493746814 /nfs/dbraw/zinc/74/68/14/493746814.db2.gz WXQAPEZQYIIHKC-MRXNPFEDSA-N 2 2 355.442 0.769 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672255106 493746815 /nfs/dbraw/zinc/74/68/15/493746815.db2.gz WXQAPEZQYIIHKC-MRXNPFEDSA-N 2 2 355.442 0.769 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217699 493751176 /nfs/dbraw/zinc/75/11/76/493751176.db2.gz PMWMMXOJZIGUDI-BBWFWOEESA-N 2 2 365.522 0.711 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217699 493751179 /nfs/dbraw/zinc/75/11/79/493751179.db2.gz PMWMMXOJZIGUDI-BBWFWOEESA-N 2 2 365.522 0.711 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3[C@H]3CCCO3)C2)CC1 ZINC000672427641 493767721 /nfs/dbraw/zinc/76/77/21/493767721.db2.gz WIXGCNRSBKYTQG-CGTJXYLNSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOC[C@@H]3[C@H]3CCCO3)C2)CC1 ZINC000672427641 493767723 /nfs/dbraw/zinc/76/77/23/493767723.db2.gz WIXGCNRSBKYTQG-CGTJXYLNSA-N 2 2 366.506 0.744 20 0 FCADLP CSC[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410815111 533812772 /nfs/dbraw/zinc/81/27/72/533812772.db2.gz CDKCEPGBHIEVLV-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP CSC[C@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410815111 533812780 /nfs/dbraw/zinc/81/27/80/533812780.db2.gz CDKCEPGBHIEVLV-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410888068 533849454 /nfs/dbraw/zinc/84/94/54/533849454.db2.gz KBEFJRZHGBDGLO-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410889452 533849679 /nfs/dbraw/zinc/84/96/79/533849679.db2.gz NLMJTMUTISRTOV-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@@H+]1C ZINC000410728965 527820286 /nfs/dbraw/zinc/82/02/86/527820286.db2.gz GSWXANKQFUTEED-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@H+]1C ZINC000410728965 527820289 /nfs/dbraw/zinc/82/02/89/527820289.db2.gz GSWXANKQFUTEED-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1C ZINC000410728965 527820293 /nfs/dbraw/zinc/82/02/93/527820293.db2.gz GSWXANKQFUTEED-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1C ZINC000410728965 527820296 /nfs/dbraw/zinc/82/02/96/527820296.db2.gz GSWXANKQFUTEED-JKSUJKDBSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000410499840 527954432 /nfs/dbraw/zinc/95/44/32/527954432.db2.gz PCVAKNJQQXISNP-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000410713016 527957327 /nfs/dbraw/zinc/95/73/27/527957327.db2.gz HJABGZLESNYJKA-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000410713016 527957331 /nfs/dbraw/zinc/95/73/31/527957331.db2.gz HJABGZLESNYJKA-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000410712520 527957611 /nfs/dbraw/zinc/95/76/11/527957611.db2.gz DVDURYCCASIJCR-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CC1CCC([NH+]2CCN(C(=O)C(=O)N3CCn4c[nH+]cc4C3)CC2)CC1 ZINC000410573152 528194173 /nfs/dbraw/zinc/19/41/73/528194173.db2.gz OEPCCFKHHDDXBL-UHFFFAOYSA-N 2 2 359.474 0.948 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410888899 528891509 /nfs/dbraw/zinc/89/15/09/528891509.db2.gz WYJQCMVDIJCISW-IYBDPMFKSA-N 2 2 356.511 0.353 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410888899 528891513 /nfs/dbraw/zinc/89/15/13/528891513.db2.gz WYJQCMVDIJCISW-IYBDPMFKSA-N 2 2 356.511 0.353 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413308443 529147809 /nfs/dbraw/zinc/14/78/09/529147809.db2.gz CZHHXNJOXAEOGH-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413308443 529147810 /nfs/dbraw/zinc/14/78/10/529147810.db2.gz CZHHXNJOXAEOGH-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000435577441 535111642 /nfs/dbraw/zinc/11/16/42/535111642.db2.gz URMPBELAQNBZQJ-HNNXBMFYSA-N 2 2 352.483 0.642 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000435577441 535111644 /nfs/dbraw/zinc/11/16/44/535111644.db2.gz URMPBELAQNBZQJ-HNNXBMFYSA-N 2 2 352.483 0.642 20 0 FCADLP CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000425537594 535411779 /nfs/dbraw/zinc/41/17/79/535411779.db2.gz KLLUBERDTFLNQT-GOSISDBHSA-N 2 2 358.486 0.714 20 0 FCADLP CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000425537594 535411783 /nfs/dbraw/zinc/41/17/83/535411783.db2.gz KLLUBERDTFLNQT-GOSISDBHSA-N 2 2 358.486 0.714 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000423323906 535429765 /nfs/dbraw/zinc/42/97/65/535429765.db2.gz PEMJQKLGOWFUMP-SFHVURJKSA-N 2 2 354.495 0.015 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000423323906 535429769 /nfs/dbraw/zinc/42/97/69/535429769.db2.gz PEMJQKLGOWFUMP-SFHVURJKSA-N 2 2 354.495 0.015 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000419210501 535438908 /nfs/dbraw/zinc/43/89/08/535438908.db2.gz VEBABEKKSZLLPR-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423570960 535605088 /nfs/dbraw/zinc/60/50/88/535605088.db2.gz UDAGTOBRFDPNMM-BEFAXECRSA-N 2 2 374.489 0.217 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441071586 535665610 /nfs/dbraw/zinc/66/56/10/535665610.db2.gz ZBVCRRRWWNHWBY-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435691615 536073203 /nfs/dbraw/zinc/07/32/03/536073203.db2.gz HDPUCPRWQLYDDV-HNNXBMFYSA-N 2 2 369.535 0.646 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435691615 536073207 /nfs/dbraw/zinc/07/32/07/536073207.db2.gz HDPUCPRWQLYDDV-HNNXBMFYSA-N 2 2 369.535 0.646 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000436222179 536357058 /nfs/dbraw/zinc/35/70/58/536357058.db2.gz UTTGTLXZGFLTNH-HNNXBMFYSA-N 2 2 350.463 0.154 20 0 FCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000436222179 536357060 /nfs/dbraw/zinc/35/70/60/536357060.db2.gz UTTGTLXZGFLTNH-HNNXBMFYSA-N 2 2 350.463 0.154 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[NH2+]CC3)c2)CC1 ZINC000415314999 536416922 /nfs/dbraw/zinc/41/69/22/536416922.db2.gz HHSSMXXWNNEFBD-UHFFFAOYSA-N 2 2 359.474 0.194 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000419156582 536417152 /nfs/dbraw/zinc/41/71/52/536417152.db2.gz SYBNBYUEYRQNGT-KRWDZBQOSA-N 2 2 369.469 0.952 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278274 546624809 /nfs/dbraw/zinc/62/48/09/546624809.db2.gz CHMZUVKQTIQHRP-BBRMVZONSA-N 2 2 351.422 0.869 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000592278274 546624812 /nfs/dbraw/zinc/62/48/12/546624812.db2.gz CHMZUVKQTIQHRP-BBRMVZONSA-N 2 2 351.422 0.869 20 0 FCADLP COC(=O)CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593902975 546766965 /nfs/dbraw/zinc/76/69/65/546766965.db2.gz ZFLFKZVAARKBHJ-AWEZNQCLSA-N 2 2 350.419 0.197 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000594318249 546781915 /nfs/dbraw/zinc/78/19/15/546781915.db2.gz VVOAKWZBXNIIAG-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000594336242 546784557 /nfs/dbraw/zinc/78/45/57/546784557.db2.gz ITODBZZLEOUEOQ-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000594336242 546784561 /nfs/dbraw/zinc/78/45/61/546784561.db2.gz ITODBZZLEOUEOQ-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000431957458 546844340 /nfs/dbraw/zinc/84/43/40/546844340.db2.gz KKIXIYINYZUIDI-GUDQWRGPSA-N 2 2 352.479 0.618 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000431957458 546844345 /nfs/dbraw/zinc/84/43/45/546844345.db2.gz KKIXIYINYZUIDI-GUDQWRGPSA-N 2 2 352.479 0.618 20 0 FCADLP COC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641788366 546957407 /nfs/dbraw/zinc/95/74/07/546957407.db2.gz ZFIDZDJABNZJGI-OALUTQOASA-N 2 2 355.523 0.814 20 0 FCADLP COCCn1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641788987 546957450 /nfs/dbraw/zinc/95/74/50/546957450.db2.gz ZUJAKGAAXNFNTR-GOSISDBHSA-N 2 2 351.495 0.416 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000550652921 547094890 /nfs/dbraw/zinc/09/48/90/547094890.db2.gz BWNBBVWYSCNTJA-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000550652921 547094897 /nfs/dbraw/zinc/09/48/97/547094897.db2.gz BWNBBVWYSCNTJA-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000550652921 547094903 /nfs/dbraw/zinc/09/49/03/547094903.db2.gz BWNBBVWYSCNTJA-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000550652921 547094906 /nfs/dbraw/zinc/09/49/06/547094906.db2.gz BWNBBVWYSCNTJA-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000550652919 547094961 /nfs/dbraw/zinc/09/49/61/547094961.db2.gz BWNBBVWYSCNTJA-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000550652919 547094966 /nfs/dbraw/zinc/09/49/66/547094966.db2.gz BWNBBVWYSCNTJA-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000550652919 547094969 /nfs/dbraw/zinc/09/49/69/547094969.db2.gz BWNBBVWYSCNTJA-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000550652919 547094973 /nfs/dbraw/zinc/09/49/73/547094973.db2.gz BWNBBVWYSCNTJA-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000550663560 547095684 /nfs/dbraw/zinc/09/56/84/547095684.db2.gz JGAPSYLVFNYYGB-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000550663560 547095688 /nfs/dbraw/zinc/09/56/88/547095688.db2.gz JGAPSYLVFNYYGB-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000550663560 547095694 /nfs/dbraw/zinc/09/56/94/547095694.db2.gz JGAPSYLVFNYYGB-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000550663560 547095700 /nfs/dbraw/zinc/09/57/00/547095700.db2.gz JGAPSYLVFNYYGB-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000550782451 547105016 /nfs/dbraw/zinc/10/50/16/547105016.db2.gz SNIFAKHJJFTGQJ-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000550782451 547105022 /nfs/dbraw/zinc/10/50/22/547105022.db2.gz SNIFAKHJJFTGQJ-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000551074151 547124650 /nfs/dbraw/zinc/12/46/50/547124650.db2.gz MKDMTBMVPNMKOL-INIZCTEOSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553279139 547265738 /nfs/dbraw/zinc/26/57/38/547265738.db2.gz NRPUBGPPQGKCIE-HOTGVXAUSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553279139 547265744 /nfs/dbraw/zinc/26/57/44/547265744.db2.gz NRPUBGPPQGKCIE-HOTGVXAUSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccsc1 ZINC000489833975 547388417 /nfs/dbraw/zinc/38/84/17/547388417.db2.gz GTOOMMILVWPPIR-MRXNPFEDSA-N 2 2 370.519 0.687 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccco1 ZINC000162330060 547390367 /nfs/dbraw/zinc/39/03/67/547390367.db2.gz WMFNYUUEMYSJLI-OAHLLOKOSA-N 2 2 354.451 0.218 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)C(F)(F)F)CC2)CC1 ZINC000051758782 547413983 /nfs/dbraw/zinc/41/39/83/547413983.db2.gz CHGQTWQGKQNMFL-CYBMUJFWSA-N 2 2 352.401 0.767 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000189850659 674384794 /nfs/dbraw/zinc/38/47/94/674384794.db2.gz BWRWPGOQPMJXSD-UHFFFAOYSA-N 2 2 374.551 0.621 20 0 FCADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000431934008 568396303 /nfs/dbraw/zinc/39/63/03/568396303.db2.gz CRCXSHOEFWMXKK-IVDANQHDSA-N 2 2 366.506 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCN3CCCC3=O)C2)CC[N@@H+]1C ZINC000950371217 674426051 /nfs/dbraw/zinc/42/60/51/674426051.db2.gz ROCNKPWCBASHRS-DLBZAZTESA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCN3CCCC3=O)C2)CC[N@H+]1C ZINC000950371217 674426054 /nfs/dbraw/zinc/42/60/54/674426054.db2.gz ROCNKPWCBASHRS-DLBZAZTESA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@@H+]1CCCC[C@H]1C ZINC000736266064 598521528 /nfs/dbraw/zinc/52/15/28/598521528.db2.gz FGBOLGVEVHRBJG-MCIONIFRSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[N@H+]1CCCC[C@H]1C ZINC000736266064 598521530 /nfs/dbraw/zinc/52/15/30/598521530.db2.gz FGBOLGVEVHRBJG-MCIONIFRSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736275331 598527315 /nfs/dbraw/zinc/52/73/15/598527315.db2.gz BVMXHQNTFDRKFG-UONOGXRCSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000736198188 599316751 /nfs/dbraw/zinc/31/67/51/599316751.db2.gz HLRAEMXYLSHBSR-MAUKXSAKSA-N 2 2 371.489 0.876 20 0 FCADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000736198188 599316754 /nfs/dbraw/zinc/31/67/54/599316754.db2.gz HLRAEMXYLSHBSR-MAUKXSAKSA-N 2 2 371.489 0.876 20 0 FCADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)ccn2)CC1 ZINC000821628358 599406602 /nfs/dbraw/zinc/40/66/02/599406602.db2.gz HCHKOBFPFYLFTP-UHFFFAOYSA-N 2 2 354.418 0.896 20 0 FCADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000821629032 599416643 /nfs/dbraw/zinc/41/66/43/599416643.db2.gz XFKQHLDCCGSILU-UHFFFAOYSA-N 2 2 354.418 0.896 20 0 FCADLP O[C@@H](C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[NH+]1CCCCC1 ZINC000738385103 599487716 /nfs/dbraw/zinc/48/77/16/599487716.db2.gz VAIKHBYEPGVAGW-HNNXBMFYSA-N 2 2 356.434 0.451 20 0 FCADLP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CCCCNc1cccc[nH+]1)C2 ZINC000738436649 599599478 /nfs/dbraw/zinc/59/94/78/599599478.db2.gz UJPQXBDIMDUTSJ-ZDUSSCGKSA-N 2 2 368.449 0.982 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC000826044603 607706101 /nfs/dbraw/zinc/70/61/01/607706101.db2.gz HZUCYJUDBYIGKO-UHFFFAOYSA-N 2 2 353.390 0.594 20 0 FCADLP O=C1[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823512618 606305838 /nfs/dbraw/zinc/30/58/38/606305838.db2.gz PPTQKKICJDJJRZ-ZYHUDNBSSA-N 2 2 370.442 0.835 20 0 FCADLP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000823748420 606420820 /nfs/dbraw/zinc/42/08/20/606420820.db2.gz WNYVRMZCDHGQBX-ZDUSSCGKSA-N 2 2 363.491 0.424 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826330664 608104856 /nfs/dbraw/zinc/10/48/56/608104856.db2.gz COQCHUJDVHMYHZ-CYBMUJFWSA-N 2 2 368.449 0.762 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826330664 608104857 /nfs/dbraw/zinc/10/48/57/608104857.db2.gz COQCHUJDVHMYHZ-CYBMUJFWSA-N 2 2 368.449 0.762 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000825001243 608451191 /nfs/dbraw/zinc/45/11/91/608451191.db2.gz XXLULOYGFGPYEJ-KBPBESRZSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000825001243 608451193 /nfs/dbraw/zinc/45/11/93/608451193.db2.gz XXLULOYGFGPYEJ-KBPBESRZSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000825001243 608451194 /nfs/dbraw/zinc/45/11/94/608451194.db2.gz XXLULOYGFGPYEJ-KBPBESRZSA-N 2 2 357.466 0.652 20 0 FCADLP C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000825001243 608451196 /nfs/dbraw/zinc/45/11/96/608451196.db2.gz XXLULOYGFGPYEJ-KBPBESRZSA-N 2 2 357.466 0.652 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330829 608453758 /nfs/dbraw/zinc/45/37/58/608453758.db2.gz JWPNKFRTIWZHCH-HNNXBMFYSA-N 2 2 354.418 0.920 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826330829 608453760 /nfs/dbraw/zinc/45/37/60/608453760.db2.gz JWPNKFRTIWZHCH-HNNXBMFYSA-N 2 2 354.418 0.920 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001020421212 663148131 /nfs/dbraw/zinc/14/81/31/663148131.db2.gz HCOHSMQMOLYEGW-TVFCKZIOSA-N 2 2 351.491 0.903 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000077552772 663379882 /nfs/dbraw/zinc/37/98/82/663379882.db2.gz ZOQBJKJDCOGKGX-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000891515295 663410978 /nfs/dbraw/zinc/41/09/78/663410978.db2.gz AKJKMQPZGPRIQC-CYDGBPFRSA-N 2 2 352.401 0.874 20 0 FCADLP CCc1nocc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781926 663428372 /nfs/dbraw/zinc/42/83/72/663428372.db2.gz OKCXPEVFAIFNIS-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781926 663428374 /nfs/dbraw/zinc/42/83/74/663428374.db2.gz OKCXPEVFAIFNIS-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781926 663428375 /nfs/dbraw/zinc/42/83/75/663428375.db2.gz OKCXPEVFAIFNIS-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781926 663428377 /nfs/dbraw/zinc/42/83/77/663428377.db2.gz OKCXPEVFAIFNIS-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3csnn3)C2)O1 ZINC001024039328 663868146 /nfs/dbraw/zinc/86/81/46/663868146.db2.gz UMYICHNHRLLXPS-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3csnn3)C2)O1 ZINC001024039328 663868150 /nfs/dbraw/zinc/86/81/50/663868150.db2.gz UMYICHNHRLLXPS-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892610649 664048857 /nfs/dbraw/zinc/04/88/57/664048857.db2.gz FGIKMTWCHVFZGQ-QGZVFWFLSA-N 2 2 350.463 0.158 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892610649 664048858 /nfs/dbraw/zinc/04/88/58/664048858.db2.gz FGIKMTWCHVFZGQ-QGZVFWFLSA-N 2 2 350.463 0.158 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000892837532 664149344 /nfs/dbraw/zinc/14/93/44/664149344.db2.gz CTOUOGCLXLAOCL-YLFCFFPRSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000892837532 664149345 /nfs/dbraw/zinc/14/93/45/664149345.db2.gz CTOUOGCLXLAOCL-YLFCFFPRSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880118 664153054 /nfs/dbraw/zinc/15/30/54/664153054.db2.gz ZWPTWUULJVCHNW-QWHCGFSZSA-N 2 2 365.503 0.875 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880120 664153061 /nfs/dbraw/zinc/15/30/61/664153061.db2.gz ZWPTWUULJVCHNW-STQMWFEESA-N 2 2 365.503 0.875 20 0 FCADLP CCC(CC)[NH2+]CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892928893 664155404 /nfs/dbraw/zinc/15/54/04/664155404.db2.gz AOJGJHILIHUPBL-UHFFFAOYSA-N 2 2 362.540 0.573 20 0 FCADLP COc1nn(C)cc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893023914 664200367 /nfs/dbraw/zinc/20/03/67/664200367.db2.gz RVSNDVKUUWIDAL-AWEZNQCLSA-N 2 2 350.467 0.396 20 0 FCADLP COc1nn(C)cc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893023914 664200370 /nfs/dbraw/zinc/20/03/70/664200370.db2.gz RVSNDVKUUWIDAL-AWEZNQCLSA-N 2 2 350.467 0.396 20 0 FCADLP CCN(CC)C(=O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000726245061 664915194 /nfs/dbraw/zinc/91/51/94/664915194.db2.gz YAPXQYQXGWHHCU-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028625985 664930585 /nfs/dbraw/zinc/93/05/85/664930585.db2.gz BGHJPUHORCDHCX-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028625985 664930586 /nfs/dbraw/zinc/93/05/86/664930586.db2.gz BGHJPUHORCDHCX-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028625985 664930587 /nfs/dbraw/zinc/93/05/87/664930587.db2.gz BGHJPUHORCDHCX-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028625985 664930588 /nfs/dbraw/zinc/93/05/88/664930588.db2.gz BGHJPUHORCDHCX-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CC1CC[NH+](CC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000896235538 665077751 /nfs/dbraw/zinc/07/77/51/665077751.db2.gz JUEBCJSHHOOXEH-UHFFFAOYSA-N 2 2 351.495 0.230 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000896634252 665101664 /nfs/dbraw/zinc/10/16/64/665101664.db2.gz WRIUTHYWODKPJH-IKGGRYGDSA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000896634252 665101665 /nfs/dbraw/zinc/10/16/65/665101665.db2.gz WRIUTHYWODKPJH-IKGGRYGDSA-N 2 2 354.495 0.338 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906620190 666059061 /nfs/dbraw/zinc/05/90/61/666059061.db2.gz XWMNZUMGQVYPHB-MRXNPFEDSA-N 2 2 350.463 0.271 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906620190 666059064 /nfs/dbraw/zinc/05/90/64/666059064.db2.gz XWMNZUMGQVYPHB-MRXNPFEDSA-N 2 2 350.463 0.271 20 0 FCADLP CN(CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC[NH+](C)C ZINC000908239684 666196695 /nfs/dbraw/zinc/19/66/95/666196695.db2.gz LUVHEDNJQDJMNS-UHFFFAOYSA-N 2 2 354.539 0.877 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069295780 666502983 /nfs/dbraw/zinc/50/29/83/666502983.db2.gz WPRSYCHAYGCLDR-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069295780 666502984 /nfs/dbraw/zinc/50/29/84/666502984.db2.gz WPRSYCHAYGCLDR-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031868689 666537746 /nfs/dbraw/zinc/53/77/46/666537746.db2.gz GGIFMRXSNZPETE-JQHSSLGASA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+](CCCCCO)CC2)CC1 ZINC000913695221 666644466 /nfs/dbraw/zinc/64/44/66/666644466.db2.gz WSDSWKSTHMREIE-UHFFFAOYSA-N 2 2 354.539 0.709 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC000731756809 666837576 /nfs/dbraw/zinc/83/75/76/666837576.db2.gz PDXCFHSUWLRUJP-OAHLLOKOSA-N 2 2 374.551 0.669 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000993583748 666918694 /nfs/dbraw/zinc/91/86/94/666918694.db2.gz NFBSRHOOKDQPNR-MCIONIFRSA-N 2 2 365.503 0.288 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000993583748 666918695 /nfs/dbraw/zinc/91/86/95/666918695.db2.gz NFBSRHOOKDQPNR-MCIONIFRSA-N 2 2 365.503 0.288 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000916323014 667000192 /nfs/dbraw/zinc/00/01/92/667000192.db2.gz FMOUBLLGYMUCOJ-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000919990156 667215490 /nfs/dbraw/zinc/21/54/90/667215490.db2.gz MVXLZHLHKCCELC-PBHICJAKSA-N 2 2 354.520 0.661 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919990156 667215494 /nfs/dbraw/zinc/21/54/94/667215494.db2.gz MVXLZHLHKCCELC-PBHICJAKSA-N 2 2 354.520 0.661 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999191384 667230249 /nfs/dbraw/zinc/23/02/49/667230249.db2.gz YBCHXKYIFHNOFV-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999191384 667230250 /nfs/dbraw/zinc/23/02/50/667230250.db2.gz YBCHXKYIFHNOFV-MGPQQGTHSA-N 2 2 351.451 0.637 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185763 667713383 /nfs/dbraw/zinc/71/33/83/667713383.db2.gz QAJYXCSOFUUUBI-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185763 667713387 /nfs/dbraw/zinc/71/33/87/667713387.db2.gz QAJYXCSOFUUUBI-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185763 667713391 /nfs/dbraw/zinc/71/33/91/667713391.db2.gz QAJYXCSOFUUUBI-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001033185763 667713393 /nfs/dbraw/zinc/71/33/93/667713393.db2.gz QAJYXCSOFUUUBI-FVQBIDKESA-N 2 2 369.897 0.788 20 0 FCADLP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001034974869 667773065 /nfs/dbraw/zinc/77/30/65/667773065.db2.gz KIYUEASHHGNIFR-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001034974869 667773066 /nfs/dbraw/zinc/77/30/66/667773066.db2.gz KIYUEASHHGNIFR-UMVBOHGHSA-N 2 2 352.435 0.483 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923333279 667825874 /nfs/dbraw/zinc/82/58/74/667825874.db2.gz QAMCBARCMAHLNK-HUUCEWRRSA-N 2 2 367.877 0.976 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000923333279 667825877 /nfs/dbraw/zinc/82/58/77/667825877.db2.gz QAMCBARCMAHLNK-HUUCEWRRSA-N 2 2 367.877 0.976 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000923412982 667833462 /nfs/dbraw/zinc/83/34/62/667833462.db2.gz MQUYMJNGBPGXDW-KRWDZBQOSA-N 2 2 351.447 0.431 20 0 FCADLP C[NH+]1CCC(CNC(=S)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000760484431 667851107 /nfs/dbraw/zinc/85/11/07/667851107.db2.gz JTPHQXAMCPWRDC-MRXNPFEDSA-N 3 2 353.580 0.961 20 0 FCADLP C[NH+]1CCC(CNC(=S)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000760484431 667851111 /nfs/dbraw/zinc/85/11/11/667851111.db2.gz JTPHQXAMCPWRDC-MRXNPFEDSA-N 3 2 353.580 0.961 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)NC4(CCSCC4)C3=O)C2)CC1 ZINC000761307643 667886455 /nfs/dbraw/zinc/88/64/55/667886455.db2.gz ZKQRMIBZWJHPFN-CQSZACIVSA-N 2 2 352.504 0.973 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)NC4(CCSCC4)C3=O)C2)CC1 ZINC000761307643 667886459 /nfs/dbraw/zinc/88/64/59/667886459.db2.gz ZKQRMIBZWJHPFN-CQSZACIVSA-N 2 2 352.504 0.973 20 0 FCADLP CCN(CC)C(=O)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771770494 668271720 /nfs/dbraw/zinc/27/17/20/668271720.db2.gz ZLVHJPMMPWPZGI-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771770494 668271724 /nfs/dbraw/zinc/27/17/24/668271724.db2.gz ZLVHJPMMPWPZGI-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP CN(C(=O)NC[C@@H]1COC(C)(C)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771778368 668273285 /nfs/dbraw/zinc/27/32/85/668273285.db2.gz PBKYSDIEGQWNJB-JKSUJKDBSA-N 2 2 354.495 0.948 20 0 FCADLP CN(C(=O)NC[C@@H]1COC(C)(C)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771778368 668273286 /nfs/dbraw/zinc/27/32/86/668273286.db2.gz PBKYSDIEGQWNJB-JKSUJKDBSA-N 2 2 354.495 0.948 20 0 FCADLP CN(C(=O)NC1COC(C)(C)OC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771779729 668273791 /nfs/dbraw/zinc/27/37/91/668273791.db2.gz WYSYNHJTPTXSAU-INIZCTEOSA-N 2 2 354.495 0.948 20 0 FCADLP CN(C(=O)NC1COC(C)(C)OC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771779729 668273795 /nfs/dbraw/zinc/27/37/95/668273795.db2.gz WYSYNHJTPTXSAU-INIZCTEOSA-N 2 2 354.495 0.948 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000786105115 668745660 /nfs/dbraw/zinc/74/56/60/668745660.db2.gz MRENLBIRZGYUDY-UHFFFAOYSA-N 2 2 359.467 0.795 20 0 FCADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000787764208 668809207 /nfs/dbraw/zinc/80/92/07/668809207.db2.gz MJTCIANWVASDBH-MJBXVCDLSA-N 2 2 359.467 0.440 20 0 FCADLP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788471065 668829888 /nfs/dbraw/zinc/82/98/88/668829888.db2.gz SJNNIKPNFMNFIB-UHFFFAOYSA-N 2 2 356.492 0.940 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794432534 668967512 /nfs/dbraw/zinc/96/75/12/668967512.db2.gz RYQRTKUWHDYGSN-CQSZACIVSA-N 2 2 353.467 0.818 20 0 FCADLP Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(N(C)C)[nH+]1 ZINC000822077745 669244384 /nfs/dbraw/zinc/24/43/84/669244384.db2.gz FEXIWVBZSOMALU-UHFFFAOYSA-N 2 2 350.467 0.940 20 0 FCADLP CS[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209742 669398455 /nfs/dbraw/zinc/39/84/55/669398455.db2.gz ARDKEQBHADFPIU-OFQRWUPVSA-N 2 2 368.547 0.671 20 0 FCADLP CS[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209742 669398460 /nfs/dbraw/zinc/39/84/60/669398460.db2.gz ARDKEQBHADFPIU-OFQRWUPVSA-N 2 2 368.547 0.671 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000826721461 669511849 /nfs/dbraw/zinc/51/18/49/669511849.db2.gz XOEBNNGUMFRMTO-ZACQAIPSSA-N 2 2 352.479 0.090 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000826721461 669511855 /nfs/dbraw/zinc/51/18/55/669511855.db2.gz XOEBNNGUMFRMTO-ZACQAIPSSA-N 2 2 352.479 0.090 20 0 FCADLP CC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000829455254 669702269 /nfs/dbraw/zinc/70/22/69/669702269.db2.gz NGYKTCUQKBAPDC-SJORKVTESA-N 2 2 351.491 0.953 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888462 670046574 /nfs/dbraw/zinc/04/65/74/670046574.db2.gz GFQRFPROHSWDKW-AAEUAGOBSA-N 2 2 373.441 0.905 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000842166457 670643066 /nfs/dbraw/zinc/64/30/66/670643066.db2.gz LYQXAEHOGZLDPX-OAHLLOKOSA-N 2 2 357.495 0.793 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000842166457 670643070 /nfs/dbraw/zinc/64/30/70/670643070.db2.gz LYQXAEHOGZLDPX-OAHLLOKOSA-N 2 2 357.495 0.793 20 0 FCADLP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)C2=O ZINC000842474902 670693072 /nfs/dbraw/zinc/69/30/72/670693072.db2.gz DVMAODJLAFBGCG-JKGQDXBKSA-N 2 2 353.467 0.481 20 0 FCADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061186 670772747 /nfs/dbraw/zinc/77/27/47/670772747.db2.gz BLLRCUPWRMTQER-WBVHZDCISA-N 2 2 356.488 0.560 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCOCCOC)CC1 ZINC000844595631 670930843 /nfs/dbraw/zinc/93/08/43/670930843.db2.gz CFGKSZFMOHONKX-INIZCTEOSA-N 2 2 358.552 0.626 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCOCCOC)CC1 ZINC000844595631 670930845 /nfs/dbraw/zinc/93/08/45/670930845.db2.gz CFGKSZFMOHONKX-INIZCTEOSA-N 2 2 358.552 0.626 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000845021550 670959613 /nfs/dbraw/zinc/95/96/13/670959613.db2.gz KQFWBKGJDIFTJY-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851206 671154458 /nfs/dbraw/zinc/15/44/58/671154458.db2.gz PJLSNPWMZOSSBI-CJNGLKHVSA-N 2 2 359.492 0.648 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851206 671154460 /nfs/dbraw/zinc/15/44/60/671154460.db2.gz PJLSNPWMZOSSBI-CJNGLKHVSA-N 2 2 359.492 0.648 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912057 671157539 /nfs/dbraw/zinc/15/75/39/671157539.db2.gz VKGPAMYWIAZSFU-QWHCGFSZSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912057 671157545 /nfs/dbraw/zinc/15/75/45/671157545.db2.gz VKGPAMYWIAZSFU-QWHCGFSZSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912057 671157550 /nfs/dbraw/zinc/15/75/50/671157550.db2.gz VKGPAMYWIAZSFU-QWHCGFSZSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912057 671157554 /nfs/dbraw/zinc/15/75/54/671157554.db2.gz VKGPAMYWIAZSFU-QWHCGFSZSA-N 2 2 355.401 0.316 20 0 FCADLP CN1CC[NH+](C2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000865267941 672236205 /nfs/dbraw/zinc/23/62/05/672236205.db2.gz XHQPFWIUJSORMX-UHFFFAOYSA-N 2 2 369.579 0.295 20 0 FCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CO2 ZINC001053805051 675998242 /nfs/dbraw/zinc/99/82/42/675998242.db2.gz KQBNZHYPZPSPAV-BBWFWOEESA-N 2 2 351.491 0.713 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000872194612 672602490 /nfs/dbraw/zinc/60/24/90/672602490.db2.gz HRAYTWHGXXKPPW-INIZCTEOSA-N 2 2 350.438 0.838 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042551 672822405 /nfs/dbraw/zinc/82/24/05/672822405.db2.gz VXYMHFGXLLEYJZ-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042551 672822414 /nfs/dbraw/zinc/82/24/14/672822414.db2.gz VXYMHFGXLLEYJZ-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042551 672822424 /nfs/dbraw/zinc/82/24/24/672822424.db2.gz VXYMHFGXLLEYJZ-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042551 672822431 /nfs/dbraw/zinc/82/24/31/672822431.db2.gz VXYMHFGXLLEYJZ-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000875194417 672846308 /nfs/dbraw/zinc/84/63/08/672846308.db2.gz KUTGTNSMOJIWBX-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCO1 ZINC000875194417 672846312 /nfs/dbraw/zinc/84/63/12/672846312.db2.gz KUTGTNSMOJIWBX-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000875312968 672866871 /nfs/dbraw/zinc/86/68/71/672866871.db2.gz KORJDVZGQGDNHS-DLBZAZTESA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000875312968 672866875 /nfs/dbraw/zinc/86/68/75/672866875.db2.gz KORJDVZGQGDNHS-DLBZAZTESA-N 2 2 355.527 0.280 20 0 FCADLP CON(C)C(=O)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875896729 672925895 /nfs/dbraw/zinc/92/58/95/672925895.db2.gz QLMIERKDHOQYAR-DZGCQCFKSA-N 2 2 355.483 0.205 20 0 FCADLP CON(C)C(=O)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875896729 672925898 /nfs/dbraw/zinc/92/58/98/672925898.db2.gz QLMIERKDHOQYAR-DZGCQCFKSA-N 2 2 355.483 0.205 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000877433111 673013846 /nfs/dbraw/zinc/01/38/46/673013846.db2.gz JMXXXORDQZSSGH-CQSZACIVSA-N 2 2 350.467 0.352 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000877433111 673013851 /nfs/dbraw/zinc/01/38/51/673013851.db2.gz JMXXXORDQZSSGH-CQSZACIVSA-N 2 2 350.467 0.352 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001051623386 676106723 /nfs/dbraw/zinc/10/67/23/676106723.db2.gz GKYKNUSKCRLFCS-QLFBSQMISA-N 2 2 353.492 0.585 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001051623386 676106724 /nfs/dbraw/zinc/10/67/24/676106724.db2.gz GKYKNUSKCRLFCS-QLFBSQMISA-N 2 2 353.492 0.585 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000879590548 673129551 /nfs/dbraw/zinc/12/95/51/673129551.db2.gz HAIXMAVSXMJQGH-UHFFFAOYSA-N 3 2 351.539 0.299 20 0 FCADLP CC(C)(CNC(=O)CN1CCC(C)([NH+]2CCC2)CC1)[NH+]1CCOCC1 ZINC000880468839 673194919 /nfs/dbraw/zinc/19/49/19/673194919.db2.gz CNAXITSAFYQOJG-UHFFFAOYSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC001052489965 676124573 /nfs/dbraw/zinc/12/45/73/676124573.db2.gz RYRURZQXLOTTCH-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC001052489965 676124576 /nfs/dbraw/zinc/12/45/76/676124576.db2.gz RYRURZQXLOTTCH-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)O1 ZINC001052489965 676124580 /nfs/dbraw/zinc/12/45/80/676124580.db2.gz RYRURZQXLOTTCH-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)O1 ZINC001052489965 676124583 /nfs/dbraw/zinc/12/45/83/676124583.db2.gz RYRURZQXLOTTCH-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000882329100 673304463 /nfs/dbraw/zinc/30/44/63/673304463.db2.gz WFQLAEGPDTWZFJ-KRWDZBQOSA-N 2 2 354.539 0.972 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CCO1 ZINC000883271308 673370057 /nfs/dbraw/zinc/37/00/57/673370057.db2.gz KASGABSGQLJHQR-HNNXBMFYSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CCO1 ZINC000883271308 673370061 /nfs/dbraw/zinc/37/00/61/673370061.db2.gz KASGABSGQLJHQR-HNNXBMFYSA-N 2 2 354.495 0.650 20 0 FCADLP F[C@@H]1C[NH2+][C@H](CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000883430723 673375222 /nfs/dbraw/zinc/37/52/22/673375222.db2.gz AXMZMVDPGONFLF-GJZGRUSLSA-N 2 2 350.442 0.135 20 0 FCADLP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000884228316 673439933 /nfs/dbraw/zinc/43/99/33/673439933.db2.gz NKDZCFARCUKOSO-BPUTZDHNSA-N 2 2 353.488 0.528 20 0 FCADLP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000884228316 673439935 /nfs/dbraw/zinc/43/99/35/673439935.db2.gz NKDZCFARCUKOSO-BPUTZDHNSA-N 2 2 353.488 0.528 20 0 FCADLP C[NH2+]CCOc1ccccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000884427015 673452773 /nfs/dbraw/zinc/45/27/73/673452773.db2.gz BWNJNYKZOIXZIT-OAHLLOKOSA-N 2 2 351.447 0.050 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884824911 673484832 /nfs/dbraw/zinc/48/48/32/673484832.db2.gz VNELWXKARLSJEJ-GXTWGEPZSA-N 2 2 363.487 0.118 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884976805 673495302 /nfs/dbraw/zinc/49/53/02/673495302.db2.gz AUBCSUKGAIWXNY-UHFFFAOYSA-N 2 2 365.503 0.447 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884977199 673495471 /nfs/dbraw/zinc/49/54/71/673495471.db2.gz LWQGTLUREUZPBP-UHFFFAOYSA-N 2 2 365.503 0.319 20 0 FCADLP CC[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924725173 673761640 /nfs/dbraw/zinc/76/16/40/673761640.db2.gz ZYNPJLNMPYTSMY-HZPDHXFCSA-N 2 2 368.503 0.548 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000925404292 673790874 /nfs/dbraw/zinc/79/08/74/673790874.db2.gz MDCIRSRIWOYTOI-CYBMUJFWSA-N 2 2 352.401 0.987 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000925404292 673790875 /nfs/dbraw/zinc/79/08/75/673790875.db2.gz MDCIRSRIWOYTOI-CYBMUJFWSA-N 2 2 352.401 0.987 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000925589857 673794652 /nfs/dbraw/zinc/79/46/52/673794652.db2.gz BYBDIZOMZHSDTA-INIZCTEOSA-N 2 2 356.511 0.632 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925600643 673796011 /nfs/dbraw/zinc/79/60/11/673796011.db2.gz HQXTWMVUBXKQKR-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928555311 673919281 /nfs/dbraw/zinc/91/92/81/673919281.db2.gz OFWFXULAZJYWPA-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555311 673919284 /nfs/dbraw/zinc/91/92/84/673919284.db2.gz OFWFXULAZJYWPA-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071763 675268608 /nfs/dbraw/zinc/26/86/08/675268608.db2.gz FICMNAYPKNBTSY-MRVWCRGKSA-N 2 2 354.476 0.561 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071763 675268610 /nfs/dbraw/zinc/26/86/10/675268610.db2.gz FICMNAYPKNBTSY-MRVWCRGKSA-N 2 2 354.476 0.561 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CCCCC3)C2)CC[N@@H+]1C ZINC001014492870 675391349 /nfs/dbraw/zinc/39/13/49/675391349.db2.gz NFDXDJGLMQOTBH-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CCCCC3)C2)CC[N@H+]1C ZINC001014492870 675391350 /nfs/dbraw/zinc/39/13/50/675391350.db2.gz NFDXDJGLMQOTBH-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCCC3)C2)CC[NH+]1C ZINC001014492870 675391353 /nfs/dbraw/zinc/39/13/53/675391353.db2.gz NFDXDJGLMQOTBH-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C2)CC[NH+]1C ZINC001014492870 675391355 /nfs/dbraw/zinc/39/13/55/675391355.db2.gz NFDXDJGLMQOTBH-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnon3)C2)O1 ZINC001017154868 675409225 /nfs/dbraw/zinc/40/92/25/675409225.db2.gz WJKWHXRJHVGIAJ-IJEWVQPXSA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnon3)C2)O1 ZINC001017154868 675409227 /nfs/dbraw/zinc/40/92/27/675409227.db2.gz WJKWHXRJHVGIAJ-IJEWVQPXSA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cnon3)C2)O1 ZINC001017154868 675409230 /nfs/dbraw/zinc/40/92/30/675409230.db2.gz WJKWHXRJHVGIAJ-IJEWVQPXSA-N 2 2 351.451 0.459 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cnon3)C2)O1 ZINC001017154868 675409234 /nfs/dbraw/zinc/40/92/34/675409234.db2.gz WJKWHXRJHVGIAJ-IJEWVQPXSA-N 2 2 351.451 0.459 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019031712 675420106 /nfs/dbraw/zinc/42/01/06/675420106.db2.gz UUWBSUUTOHJHBW-QLFBSQMISA-N 2 2 350.467 0.098 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019031712 675420108 /nfs/dbraw/zinc/42/01/08/675420108.db2.gz UUWBSUUTOHJHBW-QLFBSQMISA-N 2 2 350.467 0.098 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019177756 675422577 /nfs/dbraw/zinc/42/25/77/675422577.db2.gz BWNVZVPWNPWHPI-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020255476 675438697 /nfs/dbraw/zinc/43/86/97/675438697.db2.gz QAQKROBAOODFGF-BTFPBAQTSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020255476 675438699 /nfs/dbraw/zinc/43/86/99/675438699.db2.gz QAQKROBAOODFGF-BTFPBAQTSA-N 2 2 366.487 0.575 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020286974 675439332 /nfs/dbraw/zinc/43/93/32/675439332.db2.gz RLJLFCBIOSWJLQ-DHGKCCLASA-N 2 2 351.451 0.649 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020286974 675439334 /nfs/dbraw/zinc/43/93/34/675439334.db2.gz RLJLFCBIOSWJLQ-DHGKCCLASA-N 2 2 351.451 0.649 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020286976 675439499 /nfs/dbraw/zinc/43/94/99/675439499.db2.gz RLJLFCBIOSWJLQ-XVIXHAIJSA-N 2 2 351.451 0.649 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020286976 675439500 /nfs/dbraw/zinc/43/95/00/675439500.db2.gz RLJLFCBIOSWJLQ-XVIXHAIJSA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900014635 675659231 /nfs/dbraw/zinc/65/92/31/675659231.db2.gz MZKMSWRPARUWQI-GOSISDBHSA-N 2 2 354.539 0.876 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900014635 675659233 /nfs/dbraw/zinc/65/92/33/675659233.db2.gz MZKMSWRPARUWQI-GOSISDBHSA-N 2 2 354.539 0.876 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CCO2)CC1 ZINC000900596262 675697898 /nfs/dbraw/zinc/69/78/98/675697898.db2.gz ACHOWJFMEYSGJZ-KZNAEPCWSA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CCO2)CC1 ZINC000900596262 675697900 /nfs/dbraw/zinc/69/79/00/675697900.db2.gz ACHOWJFMEYSGJZ-KZNAEPCWSA-N 2 2 350.507 0.478 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000900602266 675698670 /nfs/dbraw/zinc/69/86/70/675698670.db2.gz PLYVXVIHMHFWCL-MSOLQXFVSA-N 2 2 352.523 0.460 20 0 FCADLP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900805744 675718415 /nfs/dbraw/zinc/71/84/15/675718415.db2.gz QERVLAMKDXAPRT-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CN(C)CC[N@H+]1C ZINC000900805744 675718416 /nfs/dbraw/zinc/71/84/16/675718416.db2.gz QERVLAMKDXAPRT-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900925068 675731374 /nfs/dbraw/zinc/73/13/74/675731374.db2.gz ZIZLSJWVYSXASJ-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000901033609 675743525 /nfs/dbraw/zinc/74/35/25/675743525.db2.gz HETKFCPJGSRNDE-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000969427859 1167951120 /nfs/dbraw/zinc/95/11/20/1167951120.db2.gz HMSQZHSNSAOTDE-PNBKFKSVSA-N 2 2 359.474 0.505 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000969427859 1167951125 /nfs/dbraw/zinc/95/11/25/1167951125.db2.gz HMSQZHSNSAOTDE-PNBKFKSVSA-N 2 2 359.474 0.505 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001020603589 1168147996 /nfs/dbraw/zinc/14/79/96/1168147996.db2.gz ILOGTKOXROFENF-KLHDSHLOSA-N 2 2 355.442 0.659 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001020603636 1168148511 /nfs/dbraw/zinc/14/85/11/1168148511.db2.gz KDGJKTUYIQTKPP-HSMRXVHUSA-N 2 2 371.485 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001020604153 1168149266 /nfs/dbraw/zinc/14/92/66/1168149266.db2.gz ZRJQLJGJSQHQSF-OXGONZEZSA-N 2 2 359.474 0.677 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001020604092 1168149642 /nfs/dbraw/zinc/14/96/42/1168149642.db2.gz WXTNBGLUHQOICP-KBUPBQIOSA-N 2 2 369.473 0.967 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)Nc1ncccn1 ZINC001266390986 1168369337 /nfs/dbraw/zinc/36/93/37/1168369337.db2.gz UZLGFCZNASUOGE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)C(=O)Nc1ncccn1 ZINC001266390986 1168369347 /nfs/dbraw/zinc/36/93/47/1168369347.db2.gz UZLGFCZNASUOGE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)Nc1ncccn1 ZINC001266390986 1168369354 /nfs/dbraw/zinc/36/93/54/1168369354.db2.gz UZLGFCZNASUOGE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)Nc1ncccn1 ZINC001266390986 1168369362 /nfs/dbraw/zinc/36/93/62/1168369362.db2.gz UZLGFCZNASUOGE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP 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C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001087226479 1172080181 /nfs/dbraw/zinc/08/01/81/1172080181.db2.gz XAPKGTQPVPPDBA-SJORKVTESA-N 2 2 363.506 0.859 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000611724386 1172080253 /nfs/dbraw/zinc/08/02/53/1172080253.db2.gz OLAQIUTYUDLXGW-QZTJIDSGSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000989054093 1192663690 /nfs/dbraw/zinc/66/36/90/1192663690.db2.gz MDLLNHUTKVOXLM-WBVHZDCISA-N 2 2 361.490 0.944 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001272166182 1192682432 /nfs/dbraw/zinc/68/24/32/1192682432.db2.gz CCAJWVDCHATLKC-BBWFWOEESA-N 2 2 357.458 0.638 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088678489 1192817238 /nfs/dbraw/zinc/81/72/38/1192817238.db2.gz WBSKMPHMBGMYOR-ILXRZTDVSA-N 2 2 360.462 0.050 20 0 FCADLP 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C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087249025 1180017408 /nfs/dbraw/zinc/01/74/08/1180017408.db2.gz FGJGPJCQYNQKTI-CVEARBPZSA-N 2 2 363.510 0.803 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21)C1CC1 ZINC000972645121 1180169403 /nfs/dbraw/zinc/16/94/03/1180169403.db2.gz VZPHJWKOVQETGA-RKVPGOIHSA-N 2 2 359.474 0.742 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972846042 1180890407 /nfs/dbraw/zinc/89/04/07/1180890407.db2.gz ICYCWPDLTJWXGF-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972846042 1180890410 /nfs/dbraw/zinc/89/04/10/1180890410.db2.gz ICYCWPDLTJWXGF-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)CC1 ZINC000548933643 1181361363 /nfs/dbraw/zinc/36/13/63/1181361363.db2.gz INTPHKKUVZLIDP-IWCQGFGOSA-N 2 2 367.490 0.770 20 0 FCADLP 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0.875 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532225 1186255860 /nfs/dbraw/zinc/25/58/60/1186255860.db2.gz OIOFZIRBHYOUFW-ROYATCLZSA-N 2 2 373.501 0.878 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000981407555 1186412327 /nfs/dbraw/zinc/41/23/27/1186412327.db2.gz UNKONXITNITZAH-UAGQMJEPSA-N 2 2 359.474 0.626 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cn(C)nn2)C3)CC[N@@H+]1C ZINC000981778553 1186519119 /nfs/dbraw/zinc/51/91/19/1186519119.db2.gz MVUOYJKVHFBCKR-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cn(C)nn2)C3)CC[N@H+]1C ZINC000981778553 1186519124 /nfs/dbraw/zinc/51/91/24/1186519124.db2.gz MVUOYJKVHFBCKR-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2cn(C)nn2)C3)CC[NH+]1C ZINC000981778553 1186519129 /nfs/dbraw/zinc/51/91/29/1186519129.db2.gz MVUOYJKVHFBCKR-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2cn(C)nn2)C3)CC[NH+]1C ZINC000981778553 1186519131 /nfs/dbraw/zinc/51/91/31/1186519131.db2.gz MVUOYJKVHFBCKR-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981769888 1186519979 /nfs/dbraw/zinc/51/99/79/1186519979.db2.gz LYZGZFZGGMEIDM-JKSUJKDBSA-N 2 2 359.474 0.913 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001087436525 1186597076 /nfs/dbraw/zinc/59/70/76/1186597076.db2.gz WJBOXJJTHUYNPA-QZTJIDSGSA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccccc2)CC1 ZINC001087436525 1186597078 /nfs/dbraw/zinc/59/70/78/1186597078.db2.gz WJBOXJJTHUYNPA-QZTJIDSGSA-N 2 2 358.486 0.788 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981992670 1186612515 /nfs/dbraw/zinc/61/25/15/1186612515.db2.gz BESUCZLXFMHXQM-HUUCEWRRSA-N 2 2 360.462 0.083 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981992670 1186612520 /nfs/dbraw/zinc/61/25/20/1186612520.db2.gz BESUCZLXFMHXQM-HUUCEWRRSA-N 2 2 360.462 0.083 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982022483 1186630065 /nfs/dbraw/zinc/63/00/65/1186630065.db2.gz ZGQUQUOSQVNRJB-KFWWJZLASA-N 2 2 359.474 0.712 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982022483 1186630067 /nfs/dbraw/zinc/63/00/67/1186630067.db2.gz ZGQUQUOSQVNRJB-KFWWJZLASA-N 2 2 359.474 0.712 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCOCCO ZINC001691498918 1186636987 /nfs/dbraw/zinc/63/69/87/1186636987.db2.gz GTUJMMVJFSOEJH-LVQVYYBASA-N 2 2 350.463 0.502 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCOCCO ZINC001691498918 1186636989 /nfs/dbraw/zinc/63/69/89/1186636989.db2.gz GTUJMMVJFSOEJH-LVQVYYBASA-N 2 2 350.463 0.502 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211733892 1187535697 /nfs/dbraw/zinc/53/56/97/1187535697.db2.gz GEAVHDQBOGSDLU-OKZBNKHCSA-N 2 2 358.442 0.475 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643760 1187567144 /nfs/dbraw/zinc/56/71/44/1187567144.db2.gz KFFAKTTUPZDZOL-UHOSZYNNSA-N 2 2 359.470 0.929 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643760 1187567150 /nfs/dbraw/zinc/56/71/50/1187567150.db2.gz KFFAKTTUPZDZOL-UHOSZYNNSA-N 2 2 359.470 0.929 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOc4ccccc4)C[C@H]32)C1 ZINC001075643760 1187567161 /nfs/dbraw/zinc/56/71/61/1187567161.db2.gz KFFAKTTUPZDZOL-UHOSZYNNSA-N 2 2 359.470 0.929 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644975 1187582014 /nfs/dbraw/zinc/58/20/14/1187582014.db2.gz JZHGCQGDJHWBSF-QGTPRVQTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644975 1187582016 /nfs/dbraw/zinc/58/20/16/1187582016.db2.gz JZHGCQGDJHWBSF-QGTPRVQTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644975 1187582021 /nfs/dbraw/zinc/58/20/21/1187582021.db2.gz JZHGCQGDJHWBSF-QGTPRVQTSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644975 1187582024 /nfs/dbraw/zinc/58/20/24/1187582024.db2.gz JZHGCQGDJHWBSF-QGTPRVQTSA-N 2 2 362.474 0.909 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075645207 1187583132 /nfs/dbraw/zinc/58/31/32/1187583132.db2.gz SDJZVNHSHGQWLL-UAGQMJEPSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075645207 1187583137 /nfs/dbraw/zinc/58/31/37/1187583137.db2.gz SDJZVNHSHGQWLL-UAGQMJEPSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075645207 1187583141 /nfs/dbraw/zinc/58/31/41/1187583141.db2.gz SDJZVNHSHGQWLL-UAGQMJEPSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075645207 1187583146 /nfs/dbraw/zinc/58/31/46/1187583146.db2.gz SDJZVNHSHGQWLL-UAGQMJEPSA-N 2 2 360.458 0.454 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001028550720 1187602307 /nfs/dbraw/zinc/60/23/07/1187602307.db2.gz RVQRAHLLZBPCBF-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001028550720 1187602308 /nfs/dbraw/zinc/60/23/08/1187602308.db2.gz RVQRAHLLZBPCBF-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nnc4n3CCOC4)C2)CC[NH+]1C ZINC001028550720 1187602310 /nfs/dbraw/zinc/60/23/10/1187602310.db2.gz RVQRAHLLZBPCBF-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nnc4n3CCOC4)C2)CC[NH+]1C ZINC001028550720 1187602311 /nfs/dbraw/zinc/60/23/11/1187602311.db2.gz RVQRAHLLZBPCBF-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083368596 1187690485 /nfs/dbraw/zinc/69/04/85/1187690485.db2.gz RCALZJKWKYEGPL-SQNIBIBYSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083368596 1187690487 /nfs/dbraw/zinc/69/04/87/1187690487.db2.gz RCALZJKWKYEGPL-SQNIBIBYSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083368596 1187690490 /nfs/dbraw/zinc/69/04/90/1187690490.db2.gz RCALZJKWKYEGPL-SQNIBIBYSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083368596 1187690491 /nfs/dbraw/zinc/69/04/91/1187690491.db2.gz RCALZJKWKYEGPL-SQNIBIBYSA-N 2 2 360.458 0.401 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385258 1187713061 /nfs/dbraw/zinc/71/30/61/1187713061.db2.gz ITYIHWSEFAKZJP-OWCLPIDISA-N 2 2 369.412 0.616 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385258 1187713064 /nfs/dbraw/zinc/71/30/64/1187713064.db2.gz ITYIHWSEFAKZJP-OWCLPIDISA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385258 1187713068 /nfs/dbraw/zinc/71/30/68/1187713068.db2.gz ITYIHWSEFAKZJP-OWCLPIDISA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@@H]2O)C1 ZINC001083385258 1187713070 /nfs/dbraw/zinc/71/30/70/1187713070.db2.gz ITYIHWSEFAKZJP-OWCLPIDISA-N 2 2 369.412 0.616 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385132 1187713187 /nfs/dbraw/zinc/71/31/87/1187713187.db2.gz FEOXDPBNQXKKRM-FGTMMUONSA-N 2 2 358.442 0.160 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385132 1187713188 /nfs/dbraw/zinc/71/31/88/1187713188.db2.gz FEOXDPBNQXKKRM-FGTMMUONSA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385132 1187713190 /nfs/dbraw/zinc/71/31/90/1187713190.db2.gz FEOXDPBNQXKKRM-FGTMMUONSA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385132 1187713193 /nfs/dbraw/zinc/71/31/93/1187713193.db2.gz FEOXDPBNQXKKRM-FGTMMUONSA-N 2 2 358.442 0.160 20 0 FCADLP CC(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385332 1187713206 /nfs/dbraw/zinc/71/32/06/1187713206.db2.gz LBPUQJWJVSVIOT-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385332 1187713209 /nfs/dbraw/zinc/71/32/09/1187713209.db2.gz LBPUQJWJVSVIOT-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385332 1187713212 /nfs/dbraw/zinc/71/32/12/1187713212.db2.gz LBPUQJWJVSVIOT-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385332 1187713214 /nfs/dbraw/zinc/71/32/14/1187713214.db2.gz LBPUQJWJVSVIOT-CEXWTWQISA-N 2 2 361.486 0.802 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385167 1187713308 /nfs/dbraw/zinc/71/33/08/1187713308.db2.gz FUADPXFZDPEJSI-SQNIBIBYSA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385167 1187713310 /nfs/dbraw/zinc/71/33/10/1187713310.db2.gz FUADPXFZDPEJSI-SQNIBIBYSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385167 1187713313 /nfs/dbraw/zinc/71/33/13/1187713313.db2.gz FUADPXFZDPEJSI-SQNIBIBYSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2O)C1 ZINC001083385167 1187713314 /nfs/dbraw/zinc/71/33/14/1187713314.db2.gz FUADPXFZDPEJSI-SQNIBIBYSA-N 2 2 370.453 0.227 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385732 1187715050 /nfs/dbraw/zinc/71/50/50/1187715050.db2.gz XFOZGGAWILGQLM-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385732 1187715055 /nfs/dbraw/zinc/71/50/55/1187715055.db2.gz XFOZGGAWILGQLM-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385732 1187715056 /nfs/dbraw/zinc/71/50/56/1187715056.db2.gz XFOZGGAWILGQLM-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]2O)C1 ZINC001083385732 1187715062 /nfs/dbraw/zinc/71/50/62/1187715062.db2.gz XFOZGGAWILGQLM-CEXWTWQISA-N 2 2 359.470 0.556 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333433732 1187741845 /nfs/dbraw/zinc/74/18/45/1187741845.db2.gz KEHISOAKEWGCJA-HZPDHXFCSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333433732 1187741847 /nfs/dbraw/zinc/74/18/47/1187741847.db2.gz KEHISOAKEWGCJA-HZPDHXFCSA-N 2 2 362.478 0.964 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001028606452 1187748455 /nfs/dbraw/zinc/74/84/55/1187748455.db2.gz TXCJJZIKVFWTOM-ARFHVFGLSA-N 2 2 357.462 0.860 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001028606452 1187748459 /nfs/dbraw/zinc/74/84/59/1187748459.db2.gz TXCJJZIKVFWTOM-ARFHVFGLSA-N 2 2 357.462 0.860 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001028606452 1187748464 /nfs/dbraw/zinc/74/84/64/1187748464.db2.gz TXCJJZIKVFWTOM-ARFHVFGLSA-N 2 2 357.462 0.860 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001028606452 1187748469 /nfs/dbraw/zinc/74/84/69/1187748469.db2.gz TXCJJZIKVFWTOM-ARFHVFGLSA-N 2 2 357.462 0.860 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000982934211 1187801818 /nfs/dbraw/zinc/80/18/18/1187801818.db2.gz VQOQXBAWEDMKDV-FVQBIDKESA-N 2 2 359.474 0.820 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000982934211 1187801820 /nfs/dbraw/zinc/80/18/20/1187801820.db2.gz VQOQXBAWEDMKDV-FVQBIDKESA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000983105461 1187834350 /nfs/dbraw/zinc/83/43/50/1187834350.db2.gz NHLZQKWSXODYKT-HLLBOEOZSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000983105461 1187834351 /nfs/dbraw/zinc/83/43/51/1187834351.db2.gz NHLZQKWSXODYKT-HLLBOEOZSA-N 2 2 361.490 0.658 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001028811072 1187909740 /nfs/dbraw/zinc/90/97/40/1187909740.db2.gz HKFLPVJCCCXOGV-NUEKZKHPSA-N 2 2 370.457 0.961 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001028811072 1187909745 /nfs/dbraw/zinc/90/97/45/1187909745.db2.gz HKFLPVJCCCXOGV-NUEKZKHPSA-N 2 2 370.457 0.961 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001270155753 1188033301 /nfs/dbraw/zinc/03/33/01/1188033301.db2.gz RNLGMRICHGQDNF-LPHOPBHVSA-N 2 2 359.474 0.961 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001270155754 1188033425 /nfs/dbraw/zinc/03/34/25/1188033425.db2.gz RNLGMRICHGQDNF-QFBILLFUSA-N 2 2 359.474 0.961 20 0 FCADLP CC[N@H+](C)CC(=O)N1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001270180033 1188041884 /nfs/dbraw/zinc/04/18/84/1188041884.db2.gz SNMOVNPHDIDBRS-GOSISDBHSA-N 2 2 361.446 0.240 20 0 FCADLP CC[N@@H+](C)CC(=O)N1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001270180033 1188041886 /nfs/dbraw/zinc/04/18/86/1188041886.db2.gz SNMOVNPHDIDBRS-GOSISDBHSA-N 2 2 361.446 0.240 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@H]2CCC[N@H+](C)C2)C1=O ZINC001270333788 1188098518 /nfs/dbraw/zinc/09/85/18/1188098518.db2.gz WBLHSSWCWOTMNQ-KXBFYZLASA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001270333788 1188098523 /nfs/dbraw/zinc/09/85/23/1188098523.db2.gz WBLHSSWCWOTMNQ-KXBFYZLASA-N 2 2 359.474 0.855 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC001270369815 1188123412 /nfs/dbraw/zinc/12/34/12/1188123412.db2.gz CNHYZZQCCQATQU-BEFAXECRSA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1=O ZINC001270371005 1188124486 /nfs/dbraw/zinc/12/44/86/1188124486.db2.gz OIPPZAZHPPYSFX-KXBFYZLASA-N 2 2 359.474 0.458 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488737 1188171800 /nfs/dbraw/zinc/17/18/00/1188171800.db2.gz DJHPKTFRYONEHI-LPHOPBHVSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488737 1188171809 /nfs/dbraw/zinc/17/18/09/1188171809.db2.gz DJHPKTFRYONEHI-LPHOPBHVSA-N 2 2 359.474 0.818 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001270491128 1188173054 /nfs/dbraw/zinc/17/30/54/1188173054.db2.gz VFFRRMLDTAPVAI-HNAYVOBHSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270491128 1188173061 /nfs/dbraw/zinc/17/30/61/1188173061.db2.gz VFFRRMLDTAPVAI-HNAYVOBHSA-N 2 2 359.474 0.855 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112535877 1188323175 /nfs/dbraw/zinc/32/31/75/1188323175.db2.gz FAUGPGDYJVEMSB-KXBFYZLASA-N 2 2 359.474 0.697 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cc(OC)no1 ZINC001087622309 1189671495 /nfs/dbraw/zinc/67/14/95/1189671495.db2.gz FFYPXFGNLJWUGM-SLBVQIDZSA-N 2 2 366.462 0.871 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cc(OC)no1 ZINC001087622309 1189671498 /nfs/dbraw/zinc/67/14/98/1189671498.db2.gz FFYPXFGNLJWUGM-SLBVQIDZSA-N 2 2 366.462 0.871 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(OC)no1 ZINC001087622309 1189671501 /nfs/dbraw/zinc/67/15/01/1189671501.db2.gz FFYPXFGNLJWUGM-SLBVQIDZSA-N 2 2 366.462 0.871 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(OC)no1 ZINC001087622309 1189671508 /nfs/dbraw/zinc/67/15/08/1189671508.db2.gz FFYPXFGNLJWUGM-SLBVQIDZSA-N 2 2 366.462 0.871 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271144298 1189816020 /nfs/dbraw/zinc/81/60/20/1189816020.db2.gz ZNBMQSDLUUNQKY-QFBILLFUSA-N 2 2 359.474 0.961 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271144298 1189816024 /nfs/dbraw/zinc/81/60/24/1189816024.db2.gz ZNBMQSDLUUNQKY-QFBILLFUSA-N 2 2 359.474 0.961 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001075818909 1189818363 /nfs/dbraw/zinc/81/83/63/1189818363.db2.gz NAKKFYPWUGEQRK-CWRNSKLLSA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001075818909 1189818364 /nfs/dbraw/zinc/81/83/64/1189818364.db2.gz NAKKFYPWUGEQRK-CWRNSKLLSA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001075818910 1189818454 /nfs/dbraw/zinc/81/84/54/1189818454.db2.gz NAKKFYPWUGEQRK-NUEKZKHPSA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001075818910 1189818455 /nfs/dbraw/zinc/81/84/55/1189818455.db2.gz NAKKFYPWUGEQRK-NUEKZKHPSA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001087837132 1189845807 /nfs/dbraw/zinc/84/58/07/1189845807.db2.gz VKIBPYXZSJXRAF-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001087837132 1189845809 /nfs/dbraw/zinc/84/58/09/1189845809.db2.gz VKIBPYXZSJXRAF-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087837132 1189845810 /nfs/dbraw/zinc/84/58/10/1189845810.db2.gz VKIBPYXZSJXRAF-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)N1CCCC1 ZINC001087837132 1189845814 /nfs/dbraw/zinc/84/58/14/1189845814.db2.gz VKIBPYXZSJXRAF-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP O=C1COc2ccc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)cc2N1 ZINC000895685742 1189874906 /nfs/dbraw/zinc/87/49/06/1189874906.db2.gz OEHWZTFLCNRLBH-QGZVFWFLSA-N 2 2 374.485 0.904 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972119 1190032839 /nfs/dbraw/zinc/03/28/39/1190032839.db2.gz NEBODWGHDVWZNL-FXUDXRNXSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972119 1190032846 /nfs/dbraw/zinc/03/28/46/1190032846.db2.gz NEBODWGHDVWZNL-FXUDXRNXSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972119 1190032851 /nfs/dbraw/zinc/03/28/51/1190032851.db2.gz NEBODWGHDVWZNL-FXUDXRNXSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001087972119 1190032856 /nfs/dbraw/zinc/03/28/56/1190032856.db2.gz NEBODWGHDVWZNL-FXUDXRNXSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000984696087 1190078756 /nfs/dbraw/zinc/07/87/56/1190078756.db2.gz LNCIWOQVDXTWPM-BBWFWOEESA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000984696087 1190078764 /nfs/dbraw/zinc/07/87/64/1190078764.db2.gz LNCIWOQVDXTWPM-BBWFWOEESA-N 2 2 361.490 0.943 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896562057 1190093776 /nfs/dbraw/zinc/09/37/76/1190093776.db2.gz DBFNRYDFFFLQHX-YTQUADARSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896562057 1190093781 /nfs/dbraw/zinc/09/37/81/1190093781.db2.gz DBFNRYDFFFLQHX-YTQUADARSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@H+](C)CCN1C ZINC000896562057 1190093783 /nfs/dbraw/zinc/09/37/83/1190093783.db2.gz DBFNRYDFFFLQHX-YTQUADARSA-N 2 2 360.502 0.638 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896562057 1190093786 /nfs/dbraw/zinc/09/37/86/1190093786.db2.gz DBFNRYDFFFLQHX-YTQUADARSA-N 2 2 360.502 0.638 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)Cn1cc[nH+]c1C ZINC000984730290 1190097181 /nfs/dbraw/zinc/09/71/81/1190097181.db2.gz SVVUASKECJFVJF-ARFHVFGLSA-N 2 2 363.462 0.018 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)Cn1cc[nH+]c1C ZINC000984730290 1190097186 /nfs/dbraw/zinc/09/71/86/1190097186.db2.gz SVVUASKECJFVJF-ARFHVFGLSA-N 2 2 363.462 0.018 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000984824321 1190163203 /nfs/dbraw/zinc/16/32/03/1190163203.db2.gz KQCUBERGVWIPBB-QBPKDAKJSA-N 2 2 369.469 0.907 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)co1 ZINC001088011948 1190211464 /nfs/dbraw/zinc/21/14/64/1190211464.db2.gz LQCSWTPJVRWBBP-NYCLONFESA-N 2 2 362.474 0.982 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)co1 ZINC001088011948 1190211471 /nfs/dbraw/zinc/21/14/71/1190211471.db2.gz LQCSWTPJVRWBBP-NYCLONFESA-N 2 2 362.474 0.982 20 0 FCADLP 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CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088563262 1191197636 /nfs/dbraw/zinc/19/76/36/1191197636.db2.gz JSFYXDBJXIMHRY-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218108408 1224140806 /nfs/dbraw/zinc/14/08/06/1224140806.db2.gz CSVSPUXULLYAJI-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218108408 1224140807 /nfs/dbraw/zinc/14/08/07/1224140807.db2.gz CSVSPUXULLYAJI-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218108408 1224140810 /nfs/dbraw/zinc/14/08/10/1224140810.db2.gz CSVSPUXULLYAJI-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218108408 1224140814 /nfs/dbraw/zinc/14/08/14/1224140814.db2.gz CSVSPUXULLYAJI-DLBZAZTESA-N 2 2 366.506 0.249 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218116675 1224141013 /nfs/dbraw/zinc/14/10/13/1224141013.db2.gz BCHCLNQZWPIMLK-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218116675 1224141015 /nfs/dbraw/zinc/14/10/15/1224141015.db2.gz BCHCLNQZWPIMLK-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218116675 1224141017 /nfs/dbraw/zinc/14/10/17/1224141017.db2.gz BCHCLNQZWPIMLK-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218116675 1224141019 /nfs/dbraw/zinc/14/10/19/1224141019.db2.gz BCHCLNQZWPIMLK-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@@H]21)[NH+](C)C ZINC001218161977 1224143686 /nfs/dbraw/zinc/14/36/86/1224143686.db2.gz JZOODXWTCQZHTF-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363471 1224156344 /nfs/dbraw/zinc/15/63/44/1224156344.db2.gz USNZBKYJSMZVNL-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363471 1224156352 /nfs/dbraw/zinc/15/63/52/1224156352.db2.gz USNZBKYJSMZVNL-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550655988 1193726337 /nfs/dbraw/zinc/72/63/37/1193726337.db2.gz AUEDWTJLLZEFEQ-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550655988 1193726340 /nfs/dbraw/zinc/72/63/40/1193726340.db2.gz AUEDWTJLLZEFEQ-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550655988 1193726347 /nfs/dbraw/zinc/72/63/47/1193726347.db2.gz AUEDWTJLLZEFEQ-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1CCC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550655988 1193726352 /nfs/dbraw/zinc/72/63/52/1193726352.db2.gz AUEDWTJLLZEFEQ-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001691582056 1193735703 /nfs/dbraw/zinc/73/57/03/1193735703.db2.gz NODNSOXJLPBWNT-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001691582056 1193735706 /nfs/dbraw/zinc/73/57/06/1193735706.db2.gz NODNSOXJLPBWNT-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523346 1224167802 /nfs/dbraw/zinc/16/78/02/1224167802.db2.gz LFRLGWBXJLZYNR-KSZLIROESA-N 2 2 369.506 0.432 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523346 1224167805 /nfs/dbraw/zinc/16/78/05/1224167805.db2.gz LFRLGWBXJLZYNR-KSZLIROESA-N 2 2 369.506 0.432 20 0 FCADLP CC(C)OCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523346 1224167812 /nfs/dbraw/zinc/16/78/12/1224167812.db2.gz LFRLGWBXJLZYNR-KSZLIROESA-N 2 2 369.506 0.432 20 0 FCADLP CC(C)OCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523346 1224167816 /nfs/dbraw/zinc/16/78/16/1224167816.db2.gz LFRLGWBXJLZYNR-KSZLIROESA-N 2 2 369.506 0.432 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001691601503 1193790829 /nfs/dbraw/zinc/79/08/29/1193790829.db2.gz FRTJLYIGDABTHB-ARFHVFGLSA-N 2 2 361.490 0.845 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cn1 ZINC001083465746 1193794918 /nfs/dbraw/zinc/79/49/18/1193794918.db2.gz PTLJXYGOLCEBLD-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cn1 ZINC001083465746 1193794919 /nfs/dbraw/zinc/79/49/19/1193794919.db2.gz PTLJXYGOLCEBLD-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550704 1224171794 /nfs/dbraw/zinc/17/17/94/1224171794.db2.gz KGSLROICZZEHKZ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550704 1224171798 /nfs/dbraw/zinc/17/17/98/1224171798.db2.gz KGSLROICZZEHKZ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105661690 1193877623 /nfs/dbraw/zinc/87/76/23/1193877623.db2.gz KWZBCXUJKUEIPP-OHDICMOHSA-N 2 2 364.490 0.955 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001088750306 1193883377 /nfs/dbraw/zinc/88/33/77/1193883377.db2.gz GKYOZDZTFHOHFA-XHSDSOJGSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001088750306 1193883379 /nfs/dbraw/zinc/88/33/79/1193883379.db2.gz GKYOZDZTFHOHFA-XHSDSOJGSA-N 2 2 363.462 0.018 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075965836 1193884970 /nfs/dbraw/zinc/88/49/70/1193884970.db2.gz FTFFFJCTEQGRSR-ARFHVFGLSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075965836 1193884971 /nfs/dbraw/zinc/88/49/71/1193884971.db2.gz FTFFFJCTEQGRSR-ARFHVFGLSA-N 2 2 355.446 0.270 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576098 1224177117 /nfs/dbraw/zinc/17/71/17/1224177117.db2.gz VMDWICQXCQHYSR-YESZJQIVSA-N 2 2 366.506 0.284 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576098 1224177121 /nfs/dbraw/zinc/17/71/21/1224177121.db2.gz VMDWICQXCQHYSR-YESZJQIVSA-N 2 2 366.506 0.284 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000552470621 1193932874 /nfs/dbraw/zinc/93/28/74/1193932874.db2.gz AVVMJLYDGLPWMQ-DJIMGWMZSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000552470621 1193932878 /nfs/dbraw/zinc/93/28/78/1193932878.db2.gz AVVMJLYDGLPWMQ-DJIMGWMZSA-N 2 2 364.490 0.099 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1)C(C)C ZINC001218581732 1224178230 /nfs/dbraw/zinc/17/82/30/1224178230.db2.gz IKIARDBQCGLIBK-DLBZAZTESA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1)C(C)C ZINC001218581732 1224178233 /nfs/dbraw/zinc/17/82/33/1224178233.db2.gz IKIARDBQCGLIBK-DLBZAZTESA-N 2 2 368.522 0.495 20 0 FCADLP C[C@@H](C[C@@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000552646239 1193946613 /nfs/dbraw/zinc/94/66/13/1193946613.db2.gz IYZANVODGKSVEL-RDJZCZTQSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](C[C@@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552646239 1193946615 /nfs/dbraw/zinc/94/66/15/1193946615.db2.gz IYZANVODGKSVEL-RDJZCZTQSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748835 1193949913 /nfs/dbraw/zinc/94/99/13/1193949913.db2.gz KKSAYLSRXKMXMH-DLBZAZTESA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748835 1193949916 /nfs/dbraw/zinc/94/99/16/1193949916.db2.gz KKSAYLSRXKMXMH-DLBZAZTESA-N 2 2 366.506 0.347 20 0 FCADLP CCOCCN(CC)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552865031 1193956366 /nfs/dbraw/zinc/95/63/66/1193956366.db2.gz YNGCIJRJOOCXTK-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21)CC(C)(C)C ZINC001218645888 1224189046 /nfs/dbraw/zinc/18/90/46/1224189046.db2.gz LLYWPTAOJGSPNM-JKSUJKDBSA-N 2 2 364.494 0.168 20 0 FCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCn3cncn3)C[C@@H]21)CC(C)(C)C ZINC001218645888 1224189049 /nfs/dbraw/zinc/18/90/49/1224189049.db2.gz LLYWPTAOJGSPNM-JKSUJKDBSA-N 2 2 364.494 0.168 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21)CC(C)(C)C ZINC001218645888 1224189056 /nfs/dbraw/zinc/18/90/56/1224189056.db2.gz LLYWPTAOJGSPNM-JKSUJKDBSA-N 2 2 364.494 0.168 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21)CC(C)(C)C ZINC001218645888 1224189061 /nfs/dbraw/zinc/18/90/61/1224189061.db2.gz LLYWPTAOJGSPNM-JKSUJKDBSA-N 2 2 364.494 0.168 20 0 FCADLP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]21)CC(C)(C)C ZINC001218645509 1224189124 /nfs/dbraw/zinc/18/91/24/1224189124.db2.gz IHSFPCOKBCGSKS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]21)CC(C)(C)C ZINC001218645509 1224189129 /nfs/dbraw/zinc/18/91/29/1224189129.db2.gz IHSFPCOKBCGSKS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]21)CC(C)(C)C ZINC001218645509 1224189134 /nfs/dbraw/zinc/18/91/34/1224189134.db2.gz IHSFPCOKBCGSKS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]21)CC(C)(C)C ZINC001218645509 1224189139 /nfs/dbraw/zinc/18/91/39/1224189139.db2.gz IHSFPCOKBCGSKS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000842194560 1194087617 /nfs/dbraw/zinc/08/76/17/1194087617.db2.gz OKULJMOZRZPUIO-AWEZNQCLSA-N 2 2 361.490 0.549 20 0 FCADLP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218661252 1224192090 /nfs/dbraw/zinc/19/20/90/1224192090.db2.gz TYXYTPYTBBTALW-ZDUSSCGKSA-N 2 2 369.385 0.345 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524336 1194157629 /nfs/dbraw/zinc/15/76/29/1194157629.db2.gz QKWWWSHOUSMXLM-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524336 1194157633 /nfs/dbraw/zinc/15/76/33/1194157633.db2.gz QKWWWSHOUSMXLM-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524336 1194157638 /nfs/dbraw/zinc/15/76/38/1194157638.db2.gz QKWWWSHOUSMXLM-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)ncn1 ZINC001083524336 1194157640 /nfs/dbraw/zinc/15/76/40/1194157640.db2.gz QKWWWSHOUSMXLM-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525034 1194159198 /nfs/dbraw/zinc/15/91/98/1194159198.db2.gz WOFONAPRQNFATK-KURKYZTESA-N 2 2 361.490 0.488 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525034 1194159202 /nfs/dbraw/zinc/15/92/02/1194159202.db2.gz WOFONAPRQNFATK-KURKYZTESA-N 2 2 361.490 0.488 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900747528 1194382788 /nfs/dbraw/zinc/38/27/88/1194382788.db2.gz RJPUMELILNWNPZ-GJYPPUQNSA-N 2 2 361.490 0.163 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900747528 1194382796 /nfs/dbraw/zinc/38/27/96/1194382796.db2.gz RJPUMELILNWNPZ-GJYPPUQNSA-N 2 2 361.490 0.163 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076452743 1194488840 /nfs/dbraw/zinc/48/88/40/1194488840.db2.gz FIZUSUNIXZVULB-RRQGHBQHSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076452743 1194488845 /nfs/dbraw/zinc/48/88/45/1194488845.db2.gz FIZUSUNIXZVULB-RRQGHBQHSA-N 2 2 366.425 0.302 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001076517637 1194532533 /nfs/dbraw/zinc/53/25/33/1194532533.db2.gz PUTYLNCMFUSMOT-FUHWJXTLSA-N 2 2 371.489 0.794 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001076517637 1194532542 /nfs/dbraw/zinc/53/25/42/1194532542.db2.gz PUTYLNCMFUSMOT-FUHWJXTLSA-N 2 2 371.489 0.794 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)nc1=O ZINC001076605544 1194593542 /nfs/dbraw/zinc/59/35/42/1194593542.db2.gz FUUJSVTZZQFVSP-LSDHHAIUSA-N 2 2 362.478 0.017 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)nc1=O ZINC001076605544 1194593548 /nfs/dbraw/zinc/59/35/48/1194593548.db2.gz FUUJSVTZZQFVSP-LSDHHAIUSA-N 2 2 362.478 0.017 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001276795693 1224226558 /nfs/dbraw/zinc/22/65/58/1224226558.db2.gz PBDYSUBLLYADFK-CRAIPNDOSA-N 2 2 366.462 0.227 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001276795693 1224226568 /nfs/dbraw/zinc/22/65/68/1224226568.db2.gz PBDYSUBLLYADFK-CRAIPNDOSA-N 2 2 366.462 0.227 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633421 1194606642 /nfs/dbraw/zinc/60/66/42/1194606642.db2.gz NFLKHBINONPKAF-HLLBOEOZSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633421 1194606647 /nfs/dbraw/zinc/60/66/47/1194606647.db2.gz NFLKHBINONPKAF-HLLBOEOZSA-N 2 2 359.474 0.863 20 0 FCADLP Cc1noc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC001276795158 1224231623 /nfs/dbraw/zinc/23/16/23/1224231623.db2.gz GCHVRAGVGJQILP-RBSFLKMASA-N 2 2 365.478 0.692 20 0 FCADLP Cc1noc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC001276795158 1224231633 /nfs/dbraw/zinc/23/16/33/1224231633.db2.gz GCHVRAGVGJQILP-RBSFLKMASA-N 2 2 365.478 0.692 20 0 FCADLP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)c1cnc2n1CC[NH2+]C2 ZINC001218881960 1224248054 /nfs/dbraw/zinc/24/80/54/1224248054.db2.gz DZVDAKJVMOPWBZ-UHFFFAOYSA-N 2 2 354.414 0.284 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805753 1195025650 /nfs/dbraw/zinc/02/56/50/1195025650.db2.gz TVRQWTGAPAYPQS-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805753 1195025655 /nfs/dbraw/zinc/02/56/55/1195025655.db2.gz TVRQWTGAPAYPQS-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805753 1195025658 /nfs/dbraw/zinc/02/56/58/1195025658.db2.gz TVRQWTGAPAYPQS-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001076805753 1195025663 /nfs/dbraw/zinc/02/56/63/1195025663.db2.gz TVRQWTGAPAYPQS-OWCLPIDISA-N 2 2 361.442 0.213 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834153 1195042157 /nfs/dbraw/zinc/04/21/57/1195042157.db2.gz GOBUAGREEKHWQT-GUDVDZBRSA-N 2 2 359.470 0.167 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834153 1195042160 /nfs/dbraw/zinc/04/21/60/1195042160.db2.gz GOBUAGREEKHWQT-GUDVDZBRSA-N 2 2 359.470 0.167 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834153 1195042162 /nfs/dbraw/zinc/04/21/62/1195042162.db2.gz GOBUAGREEKHWQT-GUDVDZBRSA-N 2 2 359.470 0.167 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@H]2O)C1 ZINC001076834153 1195042165 /nfs/dbraw/zinc/04/21/65/1195042165.db2.gz GOBUAGREEKHWQT-GUDVDZBRSA-N 2 2 359.470 0.167 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918671 1224258243 /nfs/dbraw/zinc/25/82/43/1224258243.db2.gz IZCRFTAFQFEKMX-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918671 1224258252 /nfs/dbraw/zinc/25/82/52/1224258252.db2.gz IZCRFTAFQFEKMX-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918671 1224258259 /nfs/dbraw/zinc/25/82/59/1224258259.db2.gz IZCRFTAFQFEKMX-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218918671 1224258270 /nfs/dbraw/zinc/25/82/70/1224258270.db2.gz IZCRFTAFQFEKMX-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001077033064 1195166395 /nfs/dbraw/zinc/16/63/95/1195166395.db2.gz MUMXNAKHMWVWOY-IAGOWNOFSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001077033064 1195166402 /nfs/dbraw/zinc/16/64/02/1195166402.db2.gz MUMXNAKHMWVWOY-IAGOWNOFSA-N 2 2 362.474 0.492 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563476 1195222666 /nfs/dbraw/zinc/22/26/66/1195222666.db2.gz RGODYCVZSXBPDE-UAGQMJEPSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563476 1195222673 /nfs/dbraw/zinc/22/26/73/1195222673.db2.gz RGODYCVZSXBPDE-UAGQMJEPSA-N 2 2 359.474 0.575 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2O)O1 ZINC001083566392 1195298880 /nfs/dbraw/zinc/29/88/80/1195298880.db2.gz HSGIKQDFOXVOGG-UEILYKACSA-N 2 2 373.453 0.813 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2O)O1 ZINC001083566392 1195298885 /nfs/dbraw/zinc/29/88/85/1195298885.db2.gz HSGIKQDFOXVOGG-UEILYKACSA-N 2 2 373.453 0.813 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]2O)O1 ZINC001083566392 1195298890 /nfs/dbraw/zinc/29/88/90/1195298890.db2.gz HSGIKQDFOXVOGG-UEILYKACSA-N 2 2 373.453 0.813 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2O)O1 ZINC001083566392 1195298898 /nfs/dbraw/zinc/29/88/98/1195298898.db2.gz HSGIKQDFOXVOGG-UEILYKACSA-N 2 2 373.453 0.813 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2O)O1 ZINC001077220244 1195330053 /nfs/dbraw/zinc/33/00/53/1195330053.db2.gz HSGIKQDFOXVOGG-VVHMCBODSA-N 2 2 373.453 0.813 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@H]2O)O1 ZINC001077220244 1195330059 /nfs/dbraw/zinc/33/00/59/1195330059.db2.gz HSGIKQDFOXVOGG-VVHMCBODSA-N 2 2 373.453 0.813 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]2O)O1 ZINC001077220244 1195330064 /nfs/dbraw/zinc/33/00/64/1195330064.db2.gz HSGIKQDFOXVOGG-VVHMCBODSA-N 2 2 373.453 0.813 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@H]2O)O1 ZINC001077220244 1195330066 /nfs/dbraw/zinc/33/00/66/1195330066.db2.gz HSGIKQDFOXVOGG-VVHMCBODSA-N 2 2 373.453 0.813 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251610 1195356121 /nfs/dbraw/zinc/35/61/21/1195356121.db2.gz HZTPCZWAWIJYHT-KFKAGJAMSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251610 1195356125 /nfs/dbraw/zinc/35/61/25/1195356125.db2.gz HZTPCZWAWIJYHT-KFKAGJAMSA-N 2 2 370.453 0.686 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)no1 ZINC001077275059 1195375721 /nfs/dbraw/zinc/37/57/21/1195375721.db2.gz PPMJKATUZGOTJZ-NUEKZKHPSA-N 2 2 366.462 0.326 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)no1 ZINC001077275059 1195375726 /nfs/dbraw/zinc/37/57/26/1195375726.db2.gz PPMJKATUZGOTJZ-NUEKZKHPSA-N 2 2 366.462 0.326 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572276 1195427299 /nfs/dbraw/zinc/42/72/99/1195427299.db2.gz JLAFZJISDNHNOF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572276 1195427303 /nfs/dbraw/zinc/42/73/03/1195427303.db2.gz JLAFZJISDNHNOF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572276 1195427304 /nfs/dbraw/zinc/42/73/04/1195427304.db2.gz JLAFZJISDNHNOF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572276 1195427309 /nfs/dbraw/zinc/42/73/09/1195427309.db2.gz JLAFZJISDNHNOF-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573809 1195449170 /nfs/dbraw/zinc/44/91/70/1195449170.db2.gz VJIRVUYOIQSYFD-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573809 1195449175 /nfs/dbraw/zinc/44/91/75/1195449175.db2.gz VJIRVUYOIQSYFD-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083573809 1195449179 /nfs/dbraw/zinc/44/91/79/1195449179.db2.gz VJIRVUYOIQSYFD-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083573809 1195449185 /nfs/dbraw/zinc/44/91/85/1195449185.db2.gz VJIRVUYOIQSYFD-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001077392981 1195490551 /nfs/dbraw/zinc/49/05/51/1195490551.db2.gz ZYZIUBSJDHKHGT-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001077392981 1195490553 /nfs/dbraw/zinc/49/05/53/1195490553.db2.gz ZYZIUBSJDHKHGT-IXDOHACOSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077392775 1195490970 /nfs/dbraw/zinc/49/09/70/1195490970.db2.gz PVUNUIWXRRDJGG-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077392775 1195490974 /nfs/dbraw/zinc/49/09/74/1195490974.db2.gz PVUNUIWXRRDJGG-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001077394854 1195492151 /nfs/dbraw/zinc/49/21/51/1195492151.db2.gz HDVOFPJUIIPPOP-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001077394854 1195492157 /nfs/dbraw/zinc/49/21/57/1195492157.db2.gz HDVOFPJUIIPPOP-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]21 ZINC001219004242 1224284459 /nfs/dbraw/zinc/28/44/59/1224284459.db2.gz BXEWYCHIWLQBSO-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]21 ZINC001219004242 1224284466 /nfs/dbraw/zinc/28/44/66/1224284466.db2.gz BXEWYCHIWLQBSO-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396085 1195494705 /nfs/dbraw/zinc/49/47/05/1195494705.db2.gz NGSUWBYXWOHAHJ-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396085 1195494712 /nfs/dbraw/zinc/49/47/12/1195494712.db2.gz NGSUWBYXWOHAHJ-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@@H]21 ZINC001219004242 1224284471 /nfs/dbraw/zinc/28/44/71/1224284471.db2.gz BXEWYCHIWLQBSO-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@H]21 ZINC001219004242 1224284478 /nfs/dbraw/zinc/28/44/78/1224284478.db2.gz BXEWYCHIWLQBSO-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583421 1195538472 /nfs/dbraw/zinc/53/84/72/1195538472.db2.gz GDTWMJGKYOUERG-IPELMVKDSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583421 1195538475 /nfs/dbraw/zinc/53/84/75/1195538475.db2.gz GDTWMJGKYOUERG-IPELMVKDSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583420 1195538840 /nfs/dbraw/zinc/53/88/40/1195538840.db2.gz GBWZAWBPFRUZBN-UHOSZYNNSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583420 1195538843 /nfs/dbraw/zinc/53/88/43/1195538843.db2.gz GBWZAWBPFRUZBN-UHOSZYNNSA-N 2 2 370.453 0.299 20 0 FCADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C[C@]1(O)CCOC1 ZINC000905034095 1195570878 /nfs/dbraw/zinc/57/08/78/1195570878.db2.gz IMTWYCOCSKRMML-VQTJNVASSA-N 2 2 363.502 0.691 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590513 1195585474 /nfs/dbraw/zinc/58/54/74/1195585474.db2.gz ISUVFPCQHOGYAP-XYPHTWIQSA-N 2 2 366.462 0.470 20 0 FCADLP c1nc(Cn2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nn2)no1 ZINC000906273043 1195620589 /nfs/dbraw/zinc/62/05/89/1195620589.db2.gz LFSAHXDUTWQYLX-UHFFFAOYSA-N 2 2 361.450 0.786 20 0 FCADLP NC(=O)CNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168370859 1195686914 /nfs/dbraw/zinc/68/69/14/1195686914.db2.gz GIUGXGQANWPDNJ-SFHVURJKSA-N 2 2 358.486 0.663 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603946 1195703724 /nfs/dbraw/zinc/70/37/24/1195703724.db2.gz LBEYKLMXJNQJNB-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603946 1195703727 /nfs/dbraw/zinc/70/37/27/1195703727.db2.gz LBEYKLMXJNQJNB-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603946 1195703732 /nfs/dbraw/zinc/70/37/32/1195703732.db2.gz LBEYKLMXJNQJNB-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603946 1195703734 /nfs/dbraw/zinc/70/37/34/1195703734.db2.gz LBEYKLMXJNQJNB-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccnn1CC[NH+](C)C)C2 ZINC000908114900 1195722957 /nfs/dbraw/zinc/72/29/57/1195722957.db2.gz LWUXZCBTBSQICZ-AWEZNQCLSA-N 2 2 360.462 0.229 20 0 FCADLP O=C(N[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123742 1195728995 /nfs/dbraw/zinc/72/89/95/1195728995.db2.gz ZJZLQUUJFAFKJX-SZXPJGKVSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123742 1195728998 /nfs/dbraw/zinc/72/89/98/1195728998.db2.gz ZJZLQUUJFAFKJX-SZXPJGKVSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000991123742 1195729005 /nfs/dbraw/zinc/72/90/05/1195729005.db2.gz ZJZLQUUJFAFKJX-SZXPJGKVSA-N 2 2 355.446 0.918 20 0 FCADLP CN(C(=O)C(=O)N1CCn2cccc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000910614363 1195823734 /nfs/dbraw/zinc/82/37/34/1195823734.db2.gz VVEFOQUOSOGWQO-QGZVFWFLSA-N 2 2 373.501 0.457 20 0 FCADLP CN(C(=O)C(=O)N1CCn2cccc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000910614363 1195823737 /nfs/dbraw/zinc/82/37/37/1195823737.db2.gz VVEFOQUOSOGWQO-QGZVFWFLSA-N 2 2 373.501 0.457 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000910716929 1195838819 /nfs/dbraw/zinc/83/88/19/1195838819.db2.gz STPBANMBXHGHFE-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000910716929 1195838820 /nfs/dbraw/zinc/83/88/20/1195838820.db2.gz STPBANMBXHGHFE-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037638 1224311609 /nfs/dbraw/zinc/31/16/09/1224311609.db2.gz VEYKIJRGJVJKBO-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037638 1224311620 /nfs/dbraw/zinc/31/16/20/1224311620.db2.gz VEYKIJRGJVJKBO-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP Cc1nc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054406 1224324026 /nfs/dbraw/zinc/32/40/26/1224324026.db2.gz ADKXVEQPZVIBQO-DLBZAZTESA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)n1 ZINC001219054406 1224324035 /nfs/dbraw/zinc/32/40/35/1224324035.db2.gz ADKXVEQPZVIBQO-DLBZAZTESA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054406 1224324044 /nfs/dbraw/zinc/32/40/44/1224324044.db2.gz ADKXVEQPZVIBQO-DLBZAZTESA-N 2 2 364.494 0.147 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)n1 ZINC001219054406 1224324053 /nfs/dbraw/zinc/32/40/53/1224324053.db2.gz ADKXVEQPZVIBQO-DLBZAZTESA-N 2 2 364.494 0.147 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358240 1196319481 /nfs/dbraw/zinc/31/94/81/1196319481.db2.gz IAQRTIZPBLDCMF-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358240 1196319485 /nfs/dbraw/zinc/31/94/85/1196319485.db2.gz IAQRTIZPBLDCMF-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cncn2C)CC3)O1 ZINC000991358240 1196319490 /nfs/dbraw/zinc/31/94/90/1196319490.db2.gz IAQRTIZPBLDCMF-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358240 1196319493 /nfs/dbraw/zinc/31/94/93/1196319493.db2.gz IAQRTIZPBLDCMF-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363938 1196327129 /nfs/dbraw/zinc/32/71/29/1196327129.db2.gz ZXIUKJSIFAEEFR-YKTARERQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363938 1196327133 /nfs/dbraw/zinc/32/71/33/1196327133.db2.gz ZXIUKJSIFAEEFR-YKTARERQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363938 1196327135 /nfs/dbraw/zinc/32/71/35/1196327135.db2.gz ZXIUKJSIFAEEFR-YKTARERQSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363938 1196327138 /nfs/dbraw/zinc/32/71/38/1196327138.db2.gz ZXIUKJSIFAEEFR-YKTARERQSA-N 2 2 364.490 0.051 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000912992654 1196388255 /nfs/dbraw/zinc/38/82/55/1196388255.db2.gz JKRZELYULWJYJI-KRWDZBQOSA-N 2 2 367.538 0.249 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000912992654 1196388258 /nfs/dbraw/zinc/38/82/58/1196388258.db2.gz JKRZELYULWJYJI-KRWDZBQOSA-N 2 2 367.538 0.249 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000591644087 1196522361 /nfs/dbraw/zinc/52/23/61/1196522361.db2.gz PRIGNXXPNVZKBR-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000591644087 1196522372 /nfs/dbraw/zinc/52/23/72/1196522372.db2.gz PRIGNXXPNVZKBR-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1=O ZINC000591644087 1196522377 /nfs/dbraw/zinc/52/23/77/1196522377.db2.gz PRIGNXXPNVZKBR-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1=O ZINC000591644087 1196522386 /nfs/dbraw/zinc/52/23/86/1196522386.db2.gz PRIGNXXPNVZKBR-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958939 1196600416 /nfs/dbraw/zinc/60/04/16/1196600416.db2.gz AGSTZVGYQCHDBK-CABCVRRESA-N 3 2 360.506 0.618 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)C2)CC1 ZINC000592958939 1196600421 /nfs/dbraw/zinc/60/04/21/1196600421.db2.gz AGSTZVGYQCHDBK-CABCVRRESA-N 3 2 360.506 0.618 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC3CC3)[C@@H]1C)C2 ZINC001088860800 1196806287 /nfs/dbraw/zinc/80/62/87/1196806287.db2.gz BMZJKIRVXGKFPI-MRRJBJDNSA-N 2 2 359.474 0.612 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC3CC3)[C@@H]1C)C2 ZINC001088860800 1196806288 /nfs/dbraw/zinc/80/62/88/1196806288.db2.gz BMZJKIRVXGKFPI-MRRJBJDNSA-N 2 2 359.474 0.612 20 0 FCADLP COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219170731 1224372284 /nfs/dbraw/zinc/37/22/84/1224372284.db2.gz XQMZKHDWUFFRFD-OAHLLOKOSA-N 2 2 373.413 0.541 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001089040839 1196872980 /nfs/dbraw/zinc/87/29/80/1196872980.db2.gz PBDOJLLLHAAWJB-LZWOXQAQSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)[C@@H]1C ZINC001089040839 1196872981 /nfs/dbraw/zinc/87/29/81/1196872981.db2.gz PBDOJLLLHAAWJB-LZWOXQAQSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001089040838 1196873287 /nfs/dbraw/zinc/87/32/87/1196873287.db2.gz PBDOJLLLHAAWJB-FMKPAKJESA-N 2 2 363.462 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001089040838 1196873288 /nfs/dbraw/zinc/87/32/88/1196873288.db2.gz PBDOJLLLHAAWJB-FMKPAKJESA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccnc3OC)[C@@H]2C)C1 ZINC001089053283 1196876976 /nfs/dbraw/zinc/87/69/76/1196876976.db2.gz PXNKYHGAQCEKFK-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccnc3OC)[C@@H]2C)C1 ZINC001089053283 1196876977 /nfs/dbraw/zinc/87/69/77/1196876977.db2.gz PXNKYHGAQCEKFK-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccnc3OC)[C@@H]2C)C1 ZINC001089053283 1196876981 /nfs/dbraw/zinc/87/69/81/1196876981.db2.gz PXNKYHGAQCEKFK-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3OC)[C@@H]2C)C1 ZINC001089053283 1196876982 /nfs/dbraw/zinc/87/69/82/1196876982.db2.gz PXNKYHGAQCEKFK-PVAVHDDUSA-N 2 2 362.474 0.890 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC2(C1)CC[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001272467405 1197104924 /nfs/dbraw/zinc/10/49/24/1197104924.db2.gz NHMWGOWZEZQCTL-OAHLLOKOSA-N 2 2 357.414 0.252 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC2(C1)CC[N@@H+](Cc1cccc(=O)[nH]1)C2 ZINC001272467405 1197104931 /nfs/dbraw/zinc/10/49/31/1197104931.db2.gz NHMWGOWZEZQCTL-OAHLLOKOSA-N 2 2 357.414 0.252 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)C2)c1 ZINC000913757310 1197124904 /nfs/dbraw/zinc/12/49/04/1197124904.db2.gz NWNMPHRQHDYLLO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)C2)c1 ZINC000913757310 1197124907 /nfs/dbraw/zinc/12/49/07/1197124907.db2.gz NWNMPHRQHDYLLO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3CN(C)CC[NH+](C)C3)C2)c1 ZINC000913757310 1197124909 /nfs/dbraw/zinc/12/49/09/1197124909.db2.gz NWNMPHRQHDYLLO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C3CN(C)CC[NH+](C)C3)C2)c1 ZINC000913757310 1197124912 /nfs/dbraw/zinc/12/49/12/1197124912.db2.gz NWNMPHRQHDYLLO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992990434 1197647739 /nfs/dbraw/zinc/64/77/39/1197647739.db2.gz DDSONMRDWGLBFY-YVTWGWGSSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992990434 1197647753 /nfs/dbraw/zinc/64/77/53/1197647753.db2.gz DDSONMRDWGLBFY-YVTWGWGSSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992990434 1197647763 /nfs/dbraw/zinc/64/77/63/1197647763.db2.gz DDSONMRDWGLBFY-YVTWGWGSSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992990434 1197647775 /nfs/dbraw/zinc/64/77/75/1197647775.db2.gz DDSONMRDWGLBFY-YVTWGWGSSA-N 2 2 373.501 0.989 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001085242487 1197739720 /nfs/dbraw/zinc/73/97/20/1197739720.db2.gz TZBFRCYTFIMVDC-HZPDHXFCSA-N 2 2 358.446 0.941 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001085250442 1197749313 /nfs/dbraw/zinc/74/93/13/1197749313.db2.gz UTWGDOSEINASCE-IAOVAPTHSA-N 2 2 357.462 0.791 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993081035 1197803709 /nfs/dbraw/zinc/80/37/09/1197803709.db2.gz LLJAENDAKFCQKP-MIALQEHNSA-N 2 2 373.501 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993081035 1197803711 /nfs/dbraw/zinc/80/37/11/1197803711.db2.gz LLJAENDAKFCQKP-MIALQEHNSA-N 2 2 373.501 0.920 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106279092 1197819866 /nfs/dbraw/zinc/81/98/66/1197819866.db2.gz XYVCHHDZPVBLHH-KBUPBQIOSA-N 2 2 360.462 0.223 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106279092 1197819869 /nfs/dbraw/zinc/81/98/69/1197819869.db2.gz XYVCHHDZPVBLHH-KBUPBQIOSA-N 2 2 360.462 0.223 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106342931 1197870724 /nfs/dbraw/zinc/87/07/24/1197870724.db2.gz JPSBVHIJVGHUHL-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342990 1197872093 /nfs/dbraw/zinc/87/20/93/1197872093.db2.gz LQTUOYNBFQHWHQ-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1)[NH+](C)C ZINC000993153793 1197893243 /nfs/dbraw/zinc/89/32/43/1197893243.db2.gz CPUNQMOXSPENGW-URLQWDBASA-N 2 2 361.490 0.610 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993158221 1197902848 /nfs/dbraw/zinc/90/28/48/1197902848.db2.gz TVQPLUMDRWTHOP-JTDSTZFVSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993158221 1197902849 /nfs/dbraw/zinc/90/28/49/1197902849.db2.gz TVQPLUMDRWTHOP-JTDSTZFVSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1)C1CCCC1 ZINC001273339204 1197930495 /nfs/dbraw/zinc/93/04/95/1197930495.db2.gz OSRDPPGTDWAIEI-MSOLQXFVSA-N 2 2 361.490 0.669 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1)C1CCCC1 ZINC001273339204 1197930498 /nfs/dbraw/zinc/93/04/98/1197930498.db2.gz OSRDPPGTDWAIEI-MSOLQXFVSA-N 2 2 361.490 0.669 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669582 1197975550 /nfs/dbraw/zinc/97/55/50/1197975550.db2.gz CRYQHYUYVCDLNM-DJIMGWMZSA-N 2 2 362.474 0.137 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669582 1197975558 /nfs/dbraw/zinc/97/55/58/1197975558.db2.gz CRYQHYUYVCDLNM-DJIMGWMZSA-N 2 2 362.474 0.137 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669582 1197975569 /nfs/dbraw/zinc/97/55/69/1197975569.db2.gz CRYQHYUYVCDLNM-DJIMGWMZSA-N 2 2 362.474 0.137 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccn(C)c(=O)c2)O1 ZINC001085669582 1197975575 /nfs/dbraw/zinc/97/55/75/1197975575.db2.gz CRYQHYUYVCDLNM-DJIMGWMZSA-N 2 2 362.474 0.137 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)n1 ZINC001106498756 1197979795 /nfs/dbraw/zinc/97/97/95/1197979795.db2.gz ODXAJQWDIQWCFY-RHSMWYFYSA-N 2 2 359.478 0.866 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273386216 1198087598 /nfs/dbraw/zinc/08/75/98/1198087598.db2.gz ZRQFCBVVVXRVGA-LPHOPBHVSA-N 2 2 359.474 0.817 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273386216 1198087610 /nfs/dbraw/zinc/08/76/10/1198087610.db2.gz ZRQFCBVVVXRVGA-LPHOPBHVSA-N 2 2 359.474 0.817 20 0 FCADLP NC(=O)CC[C@H]([NH3+])CC(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456191 1224476398 /nfs/dbraw/zinc/47/63/98/1224476398.db2.gz JXKXGKWPXUUSST-SMDDNHRTSA-N 2 2 370.400 0.984 20 0 FCADLP [NH3+]CCNC(=O)/C=C/C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219453400 1224476482 /nfs/dbraw/zinc/47/64/82/1224476482.db2.gz LBDDGLWAZRYPJR-GJBLVYBDSA-N 2 2 368.384 0.632 20 0 FCADLP Cc1cc(N2CCOC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001066529434 1198376288 /nfs/dbraw/zinc/37/62/88/1198376288.db2.gz ZSFMQZZJRTUCQO-VNQPRFMTSA-N 2 2 363.462 0.134 20 0 FCADLP Cc1cc(N2CCOC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001066529434 1198376294 /nfs/dbraw/zinc/37/62/94/1198376294.db2.gz ZSFMQZZJRTUCQO-VNQPRFMTSA-N 2 2 363.462 0.134 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nncn1C ZINC001086482735 1198956441 /nfs/dbraw/zinc/95/64/41/1198956441.db2.gz UALSMCPJPNQLQQ-KJWHEZOQSA-N 2 2 357.462 0.898 20 0 FCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCn1cc[nH+]c1 ZINC001169160516 1199050112 /nfs/dbraw/zinc/05/01/12/1199050112.db2.gz HGYPFPHJJWSKQJ-AWEZNQCLSA-N 2 2 373.461 0.479 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129332790 1199069023 /nfs/dbraw/zinc/06/90/23/1199069023.db2.gz IKDVLMKWPLFCHY-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001129332790 1199069026 /nfs/dbraw/zinc/06/90/26/1199069026.db2.gz IKDVLMKWPLFCHY-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129332754 1199069955 /nfs/dbraw/zinc/06/99/55/1199069955.db2.gz GSHXNULEEHHLOT-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129332754 1199069961 /nfs/dbraw/zinc/06/99/61/1199069961.db2.gz GSHXNULEEHHLOT-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129370738 1199132282 /nfs/dbraw/zinc/13/22/82/1199132282.db2.gz ZQEMBVPAFABAGI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129370738 1199132290 /nfs/dbraw/zinc/13/22/90/1199132290.db2.gz ZQEMBVPAFABAGI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129370738 1199132295 /nfs/dbraw/zinc/13/22/95/1199132295.db2.gz ZQEMBVPAFABAGI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129370738 1199132302 /nfs/dbraw/zinc/13/23/02/1199132302.db2.gz ZQEMBVPAFABAGI-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109399218 1200247491 /nfs/dbraw/zinc/24/74/91/1200247491.db2.gz CGDFDGACEYKKJG-XGUBFFRZSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109399218 1200247499 /nfs/dbraw/zinc/24/74/99/1200247499.db2.gz CGDFDGACEYKKJG-XGUBFFRZSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109399218 1200247506 /nfs/dbraw/zinc/24/75/06/1200247506.db2.gz CGDFDGACEYKKJG-XGUBFFRZSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109399218 1200247517 /nfs/dbraw/zinc/24/75/17/1200247517.db2.gz CGDFDGACEYKKJG-XGUBFFRZSA-N 2 2 365.478 0.166 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419467 1200257746 /nfs/dbraw/zinc/25/77/46/1200257746.db2.gz QZLXHLCPQZLGOQ-KBXIAJHMSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419467 1200257751 /nfs/dbraw/zinc/25/77/51/1200257751.db2.gz QZLXHLCPQZLGOQ-KBXIAJHMSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419467 1200257760 /nfs/dbraw/zinc/25/77/60/1200257760.db2.gz QZLXHLCPQZLGOQ-KBXIAJHMSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109419467 1200257768 /nfs/dbraw/zinc/25/77/68/1200257768.db2.gz QZLXHLCPQZLGOQ-KBXIAJHMSA-N 2 2 365.478 0.038 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464020 1200302140 /nfs/dbraw/zinc/30/21/40/1200302140.db2.gz HZZIFMNUOSBUQI-NCOADZHNSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464020 1200302148 /nfs/dbraw/zinc/30/21/48/1200302148.db2.gz HZZIFMNUOSBUQI-NCOADZHNSA-N 2 2 362.474 0.830 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109466076 1200304627 /nfs/dbraw/zinc/30/46/27/1200304627.db2.gz ITNHQJOGJFMNFC-PMPSAXMXSA-N 2 2 366.506 0.297 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109466076 1200304642 /nfs/dbraw/zinc/30/46/42/1200304642.db2.gz ITNHQJOGJFMNFC-PMPSAXMXSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109466076 1200304647 /nfs/dbraw/zinc/30/46/47/1200304647.db2.gz ITNHQJOGJFMNFC-PMPSAXMXSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109466076 1200304661 /nfs/dbraw/zinc/30/46/61/1200304661.db2.gz ITNHQJOGJFMNFC-PMPSAXMXSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2)C1CC1 ZINC001109527007 1200362652 /nfs/dbraw/zinc/36/26/52/1200362652.db2.gz IPERHCCEDOUXNQ-IKGGRYGDSA-N 2 2 359.474 0.924 20 0 FCADLP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2)C1CC1 ZINC001109527007 1200362660 /nfs/dbraw/zinc/36/26/60/1200362660.db2.gz IPERHCCEDOUXNQ-IKGGRYGDSA-N 2 2 359.474 0.924 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109526214 1200362974 /nfs/dbraw/zinc/36/29/74/1200362974.db2.gz URGKQRDTKPLVBC-IKGGRYGDSA-N 2 2 359.474 0.829 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109526214 1200362983 /nfs/dbraw/zinc/36/29/83/1200362983.db2.gz URGKQRDTKPLVBC-IKGGRYGDSA-N 2 2 359.474 0.829 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525354 1200363393 /nfs/dbraw/zinc/36/33/93/1200363393.db2.gz BCZAYZWANOEFIS-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525354 1200363401 /nfs/dbraw/zinc/36/34/01/1200363401.db2.gz BCZAYZWANOEFIS-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581443 1200401627 /nfs/dbraw/zinc/40/16/27/1200401627.db2.gz ZPFNKYPETADEJI-NCOADZHNSA-N 2 2 366.462 0.019 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581443 1200401632 /nfs/dbraw/zinc/40/16/32/1200401632.db2.gz ZPFNKYPETADEJI-NCOADZHNSA-N 2 2 366.462 0.019 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109653637 1200445976 /nfs/dbraw/zinc/44/59/76/1200445976.db2.gz ZZUSJQRGESSDQB-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109653637 1200445983 /nfs/dbraw/zinc/44/59/83/1200445983.db2.gz ZZUSJQRGESSDQB-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001109686932 1200463424 /nfs/dbraw/zinc/46/34/24/1200463424.db2.gz PSLGPFXBAHRZLH-MUQADHOPSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)[NH+](C)C ZINC001109686932 1200463433 /nfs/dbraw/zinc/46/34/33/1200463433.db2.gz PSLGPFXBAHRZLH-MUQADHOPSA-N 2 2 366.506 0.153 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735347 1200494097 /nfs/dbraw/zinc/49/40/97/1200494097.db2.gz CKUHYVJCOZCBGQ-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735347 1200494110 /nfs/dbraw/zinc/49/41/10/1200494110.db2.gz CKUHYVJCOZCBGQ-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001109843120 1200555433 /nfs/dbraw/zinc/55/54/33/1200555433.db2.gz CXGPRHXODYPCJS-LTIDMASMSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001109843120 1200555438 /nfs/dbraw/zinc/55/54/38/1200555438.db2.gz CXGPRHXODYPCJS-LTIDMASMSA-N 2 2 364.490 0.099 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802546 1224621540 /nfs/dbraw/zinc/62/15/40/1224621540.db2.gz TVFPAXYRIZDXJT-SJORKVTESA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802546 1224621550 /nfs/dbraw/zinc/62/15/50/1224621550.db2.gz TVFPAXYRIZDXJT-SJORKVTESA-N 2 2 363.506 0.918 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001219804316 1224623977 /nfs/dbraw/zinc/62/39/77/1224623977.db2.gz SDPPFBWCPZQNND-SOLBZPMBSA-N 2 2 361.490 0.149 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001219804316 1224623984 /nfs/dbraw/zinc/62/39/84/1224623984.db2.gz SDPPFBWCPZQNND-SOLBZPMBSA-N 2 2 361.490 0.149 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)nn1 ZINC001109977665 1200659817 /nfs/dbraw/zinc/65/98/17/1200659817.db2.gz UEICDGZPNATOHP-PMPSAXMXSA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)nn1 ZINC001109977665 1200659820 /nfs/dbraw/zinc/65/98/20/1200659820.db2.gz UEICDGZPNATOHP-PMPSAXMXSA-N 2 2 363.462 0.285 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804329 1224624228 /nfs/dbraw/zinc/62/42/28/1224624228.db2.gz SMMRVVLZBNXQBO-FGTMMUONSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804329 1224624235 /nfs/dbraw/zinc/62/42/35/1224624235.db2.gz SMMRVVLZBNXQBO-FGTMMUONSA-N 2 2 363.506 0.774 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109980707 1200666599 /nfs/dbraw/zinc/66/65/99/1200666599.db2.gz XSZAHNICHHRBSS-MHORFTMASA-N 2 2 362.518 0.966 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001109980707 1200666610 /nfs/dbraw/zinc/66/66/10/1200666610.db2.gz XSZAHNICHHRBSS-MHORFTMASA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)C1 ZINC001109980707 1200666617 /nfs/dbraw/zinc/66/66/17/1200666617.db2.gz XSZAHNICHHRBSS-MHORFTMASA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)C1 ZINC001109980707 1200666621 /nfs/dbraw/zinc/66/66/21/1200666621.db2.gz XSZAHNICHHRBSS-MHORFTMASA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)C1CC1 ZINC001219805533 1224624577 /nfs/dbraw/zinc/62/45/77/1224624577.db2.gz MANJTERMIHPIDT-SOLBZPMBSA-N 2 2 365.449 0.706 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)C1CC1 ZINC001219805533 1224624579 /nfs/dbraw/zinc/62/45/79/1224624579.db2.gz MANJTERMIHPIDT-SOLBZPMBSA-N 2 2 365.449 0.706 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110053719 1200740919 /nfs/dbraw/zinc/74/09/19/1200740919.db2.gz SXDRYKXMQXECTF-PVAVHDDUSA-N 2 2 359.474 0.600 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110053719 1200740922 /nfs/dbraw/zinc/74/09/22/1200740922.db2.gz SXDRYKXMQXECTF-PVAVHDDUSA-N 2 2 359.474 0.600 20 0 FCADLP Cc1cccn2cc(CC(=O)N3C[C@@H]4CCC[C@]4(C[NH2+]CC(N)=O)C3)[nH+]c12 ZINC001112545425 1200766450 /nfs/dbraw/zinc/76/64/50/1200766450.db2.gz JFNZOVBAUVONCD-YWZLYKJASA-N 2 2 369.469 0.889 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571652 1200803837 /nfs/dbraw/zinc/80/38/37/1200803837.db2.gz HTVZOWBSCGBZFX-IEZWGBDMSA-N 2 2 364.490 0.578 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219829914 1224642905 /nfs/dbraw/zinc/64/29/05/1224642905.db2.gz IHLJZSVVAFAWIT-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)n1 ZINC001219829914 1224642913 /nfs/dbraw/zinc/64/29/13/1224642913.db2.gz IHLJZSVVAFAWIT-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)n1 ZINC001219829914 1224642919 /nfs/dbraw/zinc/64/29/19/1224642919.db2.gz IHLJZSVVAFAWIT-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)n1 ZINC001219829914 1224642924 /nfs/dbraw/zinc/64/29/24/1224642924.db2.gz IHLJZSVVAFAWIT-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCCCC1 ZINC000788856980 1200980700 /nfs/dbraw/zinc/98/07/00/1200980700.db2.gz SKGBWVWYDKOBCO-OAHLLOKOSA-N 2 2 361.490 0.869 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090450662 1201099862 /nfs/dbraw/zinc/09/98/62/1201099862.db2.gz ZDPNFJIVFKOQPD-HZPDHXFCSA-N 2 2 358.446 0.744 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2c2ccccc2)no1 ZINC001086596705 1201135316 /nfs/dbraw/zinc/13/53/16/1201135316.db2.gz OOSTYWOBRCCSBW-FUHWJXTLSA-N 2 2 358.442 0.926 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2c2ccccc2)no1 ZINC001086596705 1201135321 /nfs/dbraw/zinc/13/53/21/1201135321.db2.gz OOSTYWOBRCCSBW-FUHWJXTLSA-N 2 2 358.442 0.926 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793728573 1201255734 /nfs/dbraw/zinc/25/57/34/1201255734.db2.gz VPBNNLZGHHYBTQ-ZACQAIPSSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000793728573 1201255740 /nfs/dbraw/zinc/25/57/40/1201255740.db2.gz VPBNNLZGHHYBTQ-ZACQAIPSSA-N 2 2 368.522 0.545 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2cccnc2)C1 ZINC001110101222 1201258104 /nfs/dbraw/zinc/25/81/04/1201258104.db2.gz FOXGVTVXAIKOOO-BDXSIMOUSA-N 2 2 371.485 0.371 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2cccnc2)C1 ZINC001110101222 1201258107 /nfs/dbraw/zinc/25/81/07/1201258107.db2.gz FOXGVTVXAIKOOO-BDXSIMOUSA-N 2 2 371.485 0.371 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2cccnc2)C1 ZINC001110101222 1201258111 /nfs/dbraw/zinc/25/81/11/1201258111.db2.gz FOXGVTVXAIKOOO-BDXSIMOUSA-N 2 2 371.485 0.371 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2cccnc2)C1 ZINC001110101222 1201258113 /nfs/dbraw/zinc/25/81/13/1201258113.db2.gz FOXGVTVXAIKOOO-BDXSIMOUSA-N 2 2 371.485 0.371 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000793707142 1201259101 /nfs/dbraw/zinc/25/91/01/1201259101.db2.gz IONAOYVIJYFMNF-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000793707142 1201259112 /nfs/dbraw/zinc/25/91/12/1201259112.db2.gz IONAOYVIJYFMNF-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000793815339 1201269593 /nfs/dbraw/zinc/26/95/93/1201269593.db2.gz TWFSXDCMJNDTKS-MRXNPFEDSA-N 2 2 361.490 0.974 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412268 1201300921 /nfs/dbraw/zinc/30/09/21/1201300921.db2.gz OQGUXRKTHDVWDE-BMFZPTHFSA-N 2 2 361.450 0.021 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412268 1201300932 /nfs/dbraw/zinc/30/09/32/1201300932.db2.gz OQGUXRKTHDVWDE-BMFZPTHFSA-N 2 2 361.450 0.021 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129400265 1201306257 /nfs/dbraw/zinc/30/62/57/1201306257.db2.gz AWKFAKTUHYPTRH-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129400265 1201306262 /nfs/dbraw/zinc/30/62/62/1201306262.db2.gz AWKFAKTUHYPTRH-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129400265 1201306270 /nfs/dbraw/zinc/30/62/70/1201306270.db2.gz AWKFAKTUHYPTRH-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129400265 1201306276 /nfs/dbraw/zinc/30/62/76/1201306276.db2.gz AWKFAKTUHYPTRH-MSOLQXFVSA-N 2 2 371.489 0.947 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476717 1201322789 /nfs/dbraw/zinc/32/27/89/1201322789.db2.gz OYGNMVNAWYKVMW-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476717 1201322791 /nfs/dbraw/zinc/32/27/91/1201322791.db2.gz OYGNMVNAWYKVMW-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490950 1201333528 /nfs/dbraw/zinc/33/35/28/1201333528.db2.gz WSWQASRGLSHHTI-CVEARBPZSA-N 2 2 361.450 0.331 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490950 1201333531 /nfs/dbraw/zinc/33/35/31/1201333531.db2.gz WSWQASRGLSHHTI-CVEARBPZSA-N 2 2 361.450 0.331 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001129803422 1201397865 /nfs/dbraw/zinc/39/78/65/1201397865.db2.gz KWMCOSJTNFNFGD-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129897559 1201431311 /nfs/dbraw/zinc/43/13/11/1201431311.db2.gz AVOLJMDORUNGES-XOUADPBQSA-N 2 2 359.434 0.183 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129897559 1201431314 /nfs/dbraw/zinc/43/13/14/1201431314.db2.gz AVOLJMDORUNGES-XOUADPBQSA-N 2 2 359.434 0.183 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941190 1201439406 /nfs/dbraw/zinc/43/94/06/1201439406.db2.gz NKAXXWHGEISHBT-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001129918779 1201440702 /nfs/dbraw/zinc/44/07/02/1201440702.db2.gz IMVWTMCRJCLRPU-CABCVRRESA-N 2 2 361.450 0.538 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001129918779 1201440708 /nfs/dbraw/zinc/44/07/08/1201440708.db2.gz IMVWTMCRJCLRPU-CABCVRRESA-N 2 2 361.450 0.538 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086626215 1201446629 /nfs/dbraw/zinc/44/66/29/1201446629.db2.gz BCIYGLXSHVAQET-RCCFBDPRSA-N 2 2 367.453 0.746 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086626215 1201446631 /nfs/dbraw/zinc/44/66/31/1201446631.db2.gz BCIYGLXSHVAQET-RCCFBDPRSA-N 2 2 367.453 0.746 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626453 1201448864 /nfs/dbraw/zinc/44/88/64/1201448864.db2.gz OKRGWBQFCWGVJS-BBWFWOEESA-N 2 2 355.442 0.731 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626453 1201448866 /nfs/dbraw/zinc/44/88/66/1201448866.db2.gz OKRGWBQFCWGVJS-BBWFWOEESA-N 2 2 355.442 0.731 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2n2ccnn2)co1 ZINC001129985475 1201461908 /nfs/dbraw/zinc/46/19/08/1201461908.db2.gz YNLPGOGKOTWTBH-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130056921 1201484516 /nfs/dbraw/zinc/48/45/16/1201484516.db2.gz AABHZSYEDZPTMT-CABCVRRESA-N 2 2 361.450 0.401 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130047902 1201487520 /nfs/dbraw/zinc/48/75/20/1201487520.db2.gz YSOAWZYKIZPLTF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001130094403 1201498567 /nfs/dbraw/zinc/49/85/67/1201498567.db2.gz JGDFOEXIPLUPIM-CVEARBPZSA-N 2 2 361.450 0.540 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130107406 1201503080 /nfs/dbraw/zinc/50/30/80/1201503080.db2.gz OVUOZSSASPMEAC-OLZOCXBDSA-N 2 2 371.367 0.846 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCC[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107754 1201503190 /nfs/dbraw/zinc/50/31/90/1201503190.db2.gz ZTNZAARNJWSTKX-WQVCFCJDSA-N 2 2 361.450 0.055 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919591 1224680400 /nfs/dbraw/zinc/68/04/00/1224680400.db2.gz DOYIPSHRUZFAJB-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919591 1224680402 /nfs/dbraw/zinc/68/04/02/1224680402.db2.gz DOYIPSHRUZFAJB-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219919755 1224680482 /nfs/dbraw/zinc/68/04/82/1224680482.db2.gz LWLQOFNASJSSRD-CVEARBPZSA-N 2 2 366.506 0.033 20 0 FCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219919755 1224680484 /nfs/dbraw/zinc/68/04/84/1224680484.db2.gz LWLQOFNASJSSRD-CVEARBPZSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219919755 1224680486 /nfs/dbraw/zinc/68/04/86/1224680486.db2.gz LWLQOFNASJSSRD-CVEARBPZSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001219919755 1224680489 /nfs/dbraw/zinc/68/04/89/1224680489.db2.gz LWLQOFNASJSSRD-CVEARBPZSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C2CCC2)n[nH]1 ZINC001130220567 1201545900 /nfs/dbraw/zinc/54/59/00/1201545900.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 2 2 364.494 0.777 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C2CCC2)n[nH]1 ZINC001130220567 1201545903 /nfs/dbraw/zinc/54/59/03/1201545903.db2.gz DZBHROHBRVIBPB-GJZGRUSLSA-N 2 2 364.494 0.777 20 0 FCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219923226 1224683729 /nfs/dbraw/zinc/68/37/29/1224683729.db2.gz XXHUMFYKQGWMMM-OAGGEKHMSA-N 2 2 366.506 0.079 20 0 FCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219923226 1224683731 /nfs/dbraw/zinc/68/37/31/1224683731.db2.gz XXHUMFYKQGWMMM-OAGGEKHMSA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219923226 1224683734 /nfs/dbraw/zinc/68/37/34/1224683734.db2.gz XXHUMFYKQGWMMM-OAGGEKHMSA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219923226 1224683739 /nfs/dbraw/zinc/68/37/39/1224683739.db2.gz XXHUMFYKQGWMMM-OAGGEKHMSA-N 2 2 366.506 0.079 20 0 FCADLP CN(OCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806210767 1202714454 /nfs/dbraw/zinc/71/44/54/1202714454.db2.gz ZRIXRRILSXHCDG-KRWDZBQOSA-N 2 2 374.485 0.861 20 0 FCADLP CN(OCc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806210767 1202714459 /nfs/dbraw/zinc/71/44/59/1202714459.db2.gz ZRIXRRILSXHCDG-KRWDZBQOSA-N 2 2 374.485 0.861 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130576547 1202722259 /nfs/dbraw/zinc/72/22/59/1202722259.db2.gz SIOTWBJYXFQJRG-OFQRWUPVSA-N 2 2 360.462 0.695 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522688 1202749269 /nfs/dbraw/zinc/74/92/69/1202749269.db2.gz LTLROLQJOCYAGZ-GOEBONIOSA-N 2 2 361.490 0.819 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522688 1202749276 /nfs/dbraw/zinc/74/92/76/1202749276.db2.gz LTLROLQJOCYAGZ-GOEBONIOSA-N 2 2 361.490 0.819 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)CCCC1 ZINC001220072414 1224745576 /nfs/dbraw/zinc/74/55/76/1224745576.db2.gz VJROWMRLGMTXOC-CABCVRRESA-N 2 2 368.522 0.327 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)CCCC1 ZINC001220072414 1224745581 /nfs/dbraw/zinc/74/55/81/1224745581.db2.gz VJROWMRLGMTXOC-CABCVRRESA-N 2 2 368.522 0.327 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130973069 1202832564 /nfs/dbraw/zinc/83/25/64/1202832564.db2.gz OOUZJQBESIRHIS-RBSFLKMASA-N 2 2 360.462 0.695 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)n1 ZINC001131061435 1202853877 /nfs/dbraw/zinc/85/38/77/1202853877.db2.gz DNVJRSRATSJDRL-HZPDHXFCSA-N 2 2 371.489 0.554 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001131101151 1202863420 /nfs/dbraw/zinc/86/34/20/1202863420.db2.gz PWTJNLYJMHBNGP-HUUCEWRRSA-N 2 2 361.450 0.229 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001131101151 1202863422 /nfs/dbraw/zinc/86/34/22/1202863422.db2.gz PWTJNLYJMHBNGP-HUUCEWRRSA-N 2 2 361.450 0.229 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117865 1202865382 /nfs/dbraw/zinc/86/53/82/1202865382.db2.gz WMZLZNJKBHRUFX-GDBMZVCRSA-N 2 2 360.462 0.615 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000747471785 1202877505 /nfs/dbraw/zinc/87/75/05/1202877505.db2.gz VQKFPZXEINWLBB-HNNXBMFYSA-N 2 2 368.478 0.823 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000747471785 1202877506 /nfs/dbraw/zinc/87/75/06/1202877506.db2.gz VQKFPZXEINWLBB-HNNXBMFYSA-N 2 2 368.478 0.823 20 0 FCADLP O=C(NCC[NH2+]Cc1ccccc1F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610932 1202921310 /nfs/dbraw/zinc/92/13/10/1202921310.db2.gz OIMASWDJEWMXRV-AEFFLSMTSA-N 2 2 365.449 0.911 20 0 FCADLP O=C(NCC[NH2+]CCC1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613743 1202921797 /nfs/dbraw/zinc/92/17/97/1202921797.db2.gz MCZYPJXGDGORGY-MSOLQXFVSA-N 2 2 369.506 0.389 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[C@@H]([NH2+]Cc4nnnn4C)C3)ccn12 ZINC001086696359 1202969978 /nfs/dbraw/zinc/96/99/78/1202969978.db2.gz GXJIXMUQLRZBBC-DZGCQCFKSA-N 2 2 368.445 0.855 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086723191 1203024190 /nfs/dbraw/zinc/02/41/90/1203024190.db2.gz WUPMFQQJMQVETF-GBJTYRQASA-N 2 2 373.457 0.537 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086723191 1203024194 /nfs/dbraw/zinc/02/41/94/1203024194.db2.gz WUPMFQQJMQVETF-GBJTYRQASA-N 2 2 373.457 0.537 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001220102185 1224762149 /nfs/dbraw/zinc/76/21/49/1224762149.db2.gz NMLKXKFJARBVDW-MSOLQXFVSA-N 2 2 357.458 0.701 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001220102185 1224762152 /nfs/dbraw/zinc/76/21/52/1224762152.db2.gz NMLKXKFJARBVDW-MSOLQXFVSA-N 2 2 357.458 0.701 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001086736312 1203062251 /nfs/dbraw/zinc/06/22/51/1203062251.db2.gz LHFMJQGGSYZDNR-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737637 1203062497 /nfs/dbraw/zinc/06/24/97/1203062497.db2.gz RRORDSBILALIRZ-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086737409 1203063249 /nfs/dbraw/zinc/06/32/49/1203063249.db2.gz ISERAOKUFIHENF-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220103646 1224763354 /nfs/dbraw/zinc/76/33/54/1224763354.db2.gz AKSWNCOLEPPGOO-KURKYZTESA-N 2 2 358.442 0.038 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220103646 1224763360 /nfs/dbraw/zinc/76/33/60/1224763360.db2.gz AKSWNCOLEPPGOO-KURKYZTESA-N 2 2 358.442 0.038 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC001090549058 1203212850 /nfs/dbraw/zinc/21/28/50/1203212850.db2.gz DZWHTNHPQTTXBQ-HZPDHXFCSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC001090549058 1203212855 /nfs/dbraw/zinc/21/28/55/1203212855.db2.gz DZWHTNHPQTTXBQ-HZPDHXFCSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001090551500 1203214496 /nfs/dbraw/zinc/21/44/96/1203214496.db2.gz CBSUQWVEJXTWDU-GVDBMIGSSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001090551500 1203214500 /nfs/dbraw/zinc/21/45/00/1203214500.db2.gz CBSUQWVEJXTWDU-GVDBMIGSSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnn(C)c1 ZINC001110107755 1203285515 /nfs/dbraw/zinc/28/55/15/1203285515.db2.gz UNXXZIHKUBSDEQ-RANZSIQMSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnn(C)c1 ZINC001110107755 1203285517 /nfs/dbraw/zinc/28/55/17/1203285517.db2.gz UNXXZIHKUBSDEQ-RANZSIQMSA-N 2 2 361.490 0.610 20 0 FCADLP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H]([NH3+])Cc2cnc[nH]2)c1 ZINC001220120668 1224777518 /nfs/dbraw/zinc/77/75/18/1224777518.db2.gz LPMITBHCAIGDGG-CYBMUJFWSA-N 2 2 358.402 0.691 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001090781487 1203298136 /nfs/dbraw/zinc/29/81/36/1203298136.db2.gz YNUZEMHJFLGESV-DFBGVHRSSA-N 2 2 357.462 0.644 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2[NH2+]CCO)cc1 ZINC001090870587 1203325080 /nfs/dbraw/zinc/32/50/80/1203325080.db2.gz JDSYOHLCPWDPLQ-DLBZAZTESA-N 2 2 358.442 0.927 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090876837 1203327737 /nfs/dbraw/zinc/32/77/37/1203327737.db2.gz DBCHQOKWRSJIDE-DLBZAZTESA-N 2 2 371.441 0.351 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]C[C@@H](C)O)cc1 ZINC001090881275 1203329275 /nfs/dbraw/zinc/32/92/75/1203329275.db2.gz DBJWFGCYVWGDBP-JEBQAFNWSA-N 2 2 358.442 0.926 20 0 FCADLP O=C(CC[N@@H+]1CCn2c(CCc3ccccc3)nnc2C1)N1CC[NH2+]CC1 ZINC000844220793 1203340043 /nfs/dbraw/zinc/34/00/43/1203340043.db2.gz BLIXMEOSFSTJPJ-UHFFFAOYSA-N 2 2 368.485 0.701 20 0 FCADLP O=C(CC[N@H+]1CCn2c(CCc3ccccc3)nnc2C1)N1CC[NH2+]CC1 ZINC000844220793 1203340046 /nfs/dbraw/zinc/34/00/46/1203340046.db2.gz BLIXMEOSFSTJPJ-UHFFFAOYSA-N 2 2 368.485 0.701 20 0 FCADLP CCOC(=O)CC[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(=O)OCC ZINC001220231182 1224811245 /nfs/dbraw/zinc/81/12/45/1224811245.db2.gz XQUSLBUILWPODJ-CABCVRRESA-N 2 2 365.430 0.650 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220233610 1224811787 /nfs/dbraw/zinc/81/17/87/1224811787.db2.gz CKCLDJPPPGJARN-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220233610 1224811789 /nfs/dbraw/zinc/81/17/89/1224811789.db2.gz CKCLDJPPPGJARN-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220233774 1224811869 /nfs/dbraw/zinc/81/18/69/1224811869.db2.gz GNHFSGQDALDUTK-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220233774 1224811873 /nfs/dbraw/zinc/81/18/73/1224811873.db2.gz GNHFSGQDALDUTK-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CC1 ZINC001220277267 1224819260 /nfs/dbraw/zinc/81/92/60/1224819260.db2.gz UMZFOUJXVZXREG-BACDZXNISA-N 2 2 368.522 0.137 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)CC1 ZINC001220277267 1224819261 /nfs/dbraw/zinc/81/92/61/1224819261.db2.gz UMZFOUJXVZXREG-BACDZXNISA-N 2 2 368.522 0.137 20 0 FCADLP COCCn1c[nH+]cc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220275243 1224819533 /nfs/dbraw/zinc/81/95/33/1224819533.db2.gz WIZRJZYNNCAAKB-OXJNMPFZSA-N 2 2 369.469 0.872 20 0 FCADLP CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220294032 1224822692 /nfs/dbraw/zinc/82/26/92/1224822692.db2.gz CWTCDUWVZYGDHL-HNNXBMFYSA-N 2 2 363.458 0.842 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)C(=O)OCc1ccccc1 ZINC001220315356 1224825999 /nfs/dbraw/zinc/82/59/99/1224825999.db2.gz BSWLOAFISRFYMA-FCEWJHQRSA-N 2 2 361.442 0.475 20 0 FCADLP CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001090903024 1204381035 /nfs/dbraw/zinc/38/10/35/1204381035.db2.gz NCQPOSDTHUHIJV-HZPDHXFCSA-N 2 2 363.462 0.136 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091112985 1204510601 /nfs/dbraw/zinc/51/06/01/1204510601.db2.gz RJTVIFJUWAGKRM-SJORKVTESA-N 2 2 361.490 0.944 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342827 1224835611 /nfs/dbraw/zinc/83/56/11/1224835611.db2.gz PFFOOKQXDIGROG-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342827 1224835612 /nfs/dbraw/zinc/83/56/12/1224835612.db2.gz PFFOOKQXDIGROG-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000846332619 1204615693 /nfs/dbraw/zinc/61/56/93/1204615693.db2.gz SXXCGPXWWWGTOA-UHFFFAOYSA-N 2 2 355.442 0.994 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543962 1204708843 /nfs/dbraw/zinc/70/88/43/1204708843.db2.gz SBFNBMASKRCXOL-GJYPPUQNSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543962 1204708849 /nfs/dbraw/zinc/70/88/49/1204708849.db2.gz SBFNBMASKRCXOL-GJYPPUQNSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543962 1204708854 /nfs/dbraw/zinc/70/88/54/1204708854.db2.gz SBFNBMASKRCXOL-GJYPPUQNSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543962 1204708864 /nfs/dbraw/zinc/70/88/64/1204708864.db2.gz SBFNBMASKRCXOL-GJYPPUQNSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369776 1224846636 /nfs/dbraw/zinc/84/66/36/1224846636.db2.gz QJTKEYOSZROSQB-UAGQMJEPSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369776 1224846641 /nfs/dbraw/zinc/84/66/41/1224846641.db2.gz QJTKEYOSZROSQB-UAGQMJEPSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@H](C)[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369776 1224846644 /nfs/dbraw/zinc/84/66/44/1224846644.db2.gz QJTKEYOSZROSQB-UAGQMJEPSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@H](C)[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220369776 1224846651 /nfs/dbraw/zinc/84/66/51/1224846651.db2.gz QJTKEYOSZROSQB-UAGQMJEPSA-N 2 2 363.506 0.985 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1O ZINC001220372664 1224846699 /nfs/dbraw/zinc/84/66/99/1224846699.db2.gz HFNYISHXONKSHH-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1O ZINC001220372664 1224846702 /nfs/dbraw/zinc/84/67/02/1224846702.db2.gz HFNYISHXONKSHH-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001220372664 1224846706 /nfs/dbraw/zinc/84/67/06/1224846706.db2.gz HFNYISHXONKSHH-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001220372664 1224846709 /nfs/dbraw/zinc/84/67/09/1224846709.db2.gz HFNYISHXONKSHH-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565213 1204726736 /nfs/dbraw/zinc/72/67/36/1204726736.db2.gz GHTKPILGPSZUKI-SUMDDJOVSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565213 1204726742 /nfs/dbraw/zinc/72/67/42/1204726742.db2.gz GHTKPILGPSZUKI-SUMDDJOVSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565213 1204726746 /nfs/dbraw/zinc/72/67/46/1204726746.db2.gz GHTKPILGPSZUKI-SUMDDJOVSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565213 1204726752 /nfs/dbraw/zinc/72/67/52/1204726752.db2.gz GHTKPILGPSZUKI-SUMDDJOVSA-N 2 2 361.490 0.514 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666611 1204812882 /nfs/dbraw/zinc/81/28/82/1204812882.db2.gz CKIGICBUZODIQX-GJYPPUQNSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666611 1204812883 /nfs/dbraw/zinc/81/28/83/1204812883.db2.gz CKIGICBUZODIQX-GJYPPUQNSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666611 1204812884 /nfs/dbraw/zinc/81/28/84/1204812884.db2.gz CKIGICBUZODIQX-GJYPPUQNSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001091666611 1204812885 /nfs/dbraw/zinc/81/28/85/1204812885.db2.gz CKIGICBUZODIQX-GJYPPUQNSA-N 2 2 360.506 0.968 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4C[N@@H+]([C@@H]5CCNC5=O)C[C@@]4(C)C3)ccn12 ZINC001091670223 1204815159 /nfs/dbraw/zinc/81/51/59/1204815159.db2.gz CABDSVSHZGPCPM-QINHECLXSA-N 2 2 367.453 0.925 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4C[N@H+]([C@@H]5CCNC5=O)C[C@@]4(C)C3)ccn12 ZINC001091670223 1204815161 /nfs/dbraw/zinc/81/51/61/1204815161.db2.gz CABDSVSHZGPCPM-QINHECLXSA-N 2 2 367.453 0.925 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742701 1204839039 /nfs/dbraw/zinc/83/90/39/1204839039.db2.gz FXONDPVASZTXAE-IYOUNJFTSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742701 1204839040 /nfs/dbraw/zinc/83/90/40/1204839040.db2.gz FXONDPVASZTXAE-IYOUNJFTSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742701 1204839042 /nfs/dbraw/zinc/83/90/42/1204839042.db2.gz FXONDPVASZTXAE-IYOUNJFTSA-N 2 2 361.494 0.536 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C(=O)OC)cc2)CC1 ZINC001149004883 1204845548 /nfs/dbraw/zinc/84/55/48/1204845548.db2.gz LRBCUNHGVNIJAI-GOSISDBHSA-N 2 2 374.485 0.758 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C(=O)OC)cc2)CC1 ZINC001149004883 1204845550 /nfs/dbraw/zinc/84/55/50/1204845550.db2.gz LRBCUNHGVNIJAI-GOSISDBHSA-N 2 2 374.485 0.758 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C(=O)N2CC=CC2)c1 ZINC001273453737 1204852448 /nfs/dbraw/zinc/85/24/48/1204852448.db2.gz CACLTNGXNUQYFR-ARFHVFGLSA-N 2 2 357.458 0.312 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C(=O)N2CC=CC2)c1 ZINC001273453737 1204852449 /nfs/dbraw/zinc/85/24/49/1204852449.db2.gz CACLTNGXNUQYFR-ARFHVFGLSA-N 2 2 357.458 0.312 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)o1 ZINC001086880747 1204856290 /nfs/dbraw/zinc/85/62/90/1204856290.db2.gz MVJUTYOPKHMSPD-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)o1 ZINC001086880747 1204856292 /nfs/dbraw/zinc/85/62/92/1204856292.db2.gz MVJUTYOPKHMSPD-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001086984662 1204879201 /nfs/dbraw/zinc/87/92/01/1204879201.db2.gz XCFAYMKKVDYQHN-ARFHVFGLSA-N 2 2 361.450 0.228 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2ccns2)cn1 ZINC001086999443 1204888882 /nfs/dbraw/zinc/88/88/82/1204888882.db2.gz GSKQPNPSJBECMP-JKSUJKDBSA-N 2 2 371.470 0.927 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]Cc2ncccn2)cn1 ZINC001087009434 1204897119 /nfs/dbraw/zinc/89/71/19/1204897119.db2.gz GGGYRVWYHIEFQL-DLBZAZTESA-N 2 2 369.473 0.390 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001087009439 1204897148 /nfs/dbraw/zinc/89/71/48/1204897148.db2.gz GJVATIZPJKVYRT-DLBZAZTESA-N 2 2 369.429 0.697 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087049447 1204925797 /nfs/dbraw/zinc/92/57/97/1204925797.db2.gz IFFHNYGUHCKHLH-HUUCEWRRSA-N 2 2 358.446 0.786 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087067059 1204956081 /nfs/dbraw/zinc/95/60/81/1204956081.db2.gz JOSXZIGDXGFLKA-HZPDHXFCSA-N 2 2 358.446 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087070947 1204957704 /nfs/dbraw/zinc/95/77/04/1204957704.db2.gz RAEIESDFBYGSBS-GDBMZVCRSA-N 2 2 361.450 0.055 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087070770 1204957781 /nfs/dbraw/zinc/95/77/81/1204957781.db2.gz IGGIEYOHURCSSZ-HUUCEWRRSA-N 2 2 362.434 0.618 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087103496 1205001290 /nfs/dbraw/zinc/00/12/90/1205001290.db2.gz JGVLPZQCJCISCN-HZPDHXFCSA-N 2 2 358.446 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)c1ncccn1 ZINC001087104246 1205001473 /nfs/dbraw/zinc/00/14/73/1205001473.db2.gz WYJGELYRWXFRQW-BZUAXINKSA-N 2 2 358.446 0.887 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087096911 1205004858 /nfs/dbraw/zinc/00/48/58/1205004858.db2.gz KPISQEUMGJQAII-GDBMZVCRSA-N 2 2 358.446 0.406 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091795024 1205014809 /nfs/dbraw/zinc/01/48/09/1205014809.db2.gz HJPBWVBBQZILKF-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091795024 1205014811 /nfs/dbraw/zinc/01/48/11/1205014811.db2.gz HJPBWVBBQZILKF-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]3(C)C2)n1C ZINC001091780604 1205026204 /nfs/dbraw/zinc/02/62/04/1205026204.db2.gz RWTSMKNPXAWQCP-CLCXKQKWSA-N 2 2 362.522 0.998 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]3(C)C2)n1C ZINC001091780604 1205026207 /nfs/dbraw/zinc/02/62/07/1205026207.db2.gz RWTSMKNPXAWQCP-CLCXKQKWSA-N 2 2 362.522 0.998 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)COCC[NH+](C)C)CCN1c1[nH+]cnc2c1cnn2C ZINC001091989952 1205095696 /nfs/dbraw/zinc/09/56/96/1205095696.db2.gz MQZILFLAPIVIBV-OCCSQVGLSA-N 2 2 361.450 0.025 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)nn1 ZINC001092015422 1205114953 /nfs/dbraw/zinc/11/49/53/1205114953.db2.gz PZJJHNBGDVDOPZ-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@]3(C)C2)nn1 ZINC001092015422 1205114958 /nfs/dbraw/zinc/11/49/58/1205114958.db2.gz PZJJHNBGDVDOPZ-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@]3(C)C2)nn1 ZINC001092015422 1205114964 /nfs/dbraw/zinc/11/49/64/1205114964.db2.gz PZJJHNBGDVDOPZ-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@]3(C)C2)nn1 ZINC001092015422 1205114968 /nfs/dbraw/zinc/11/49/68/1205114968.db2.gz PZJJHNBGDVDOPZ-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092026035 1205122581 /nfs/dbraw/zinc/12/25/81/1205122581.db2.gz ARPHFSRGDWABHG-NNFUDEMPSA-N 2 2 369.473 0.596 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092026035 1205122586 /nfs/dbraw/zinc/12/25/86/1205122586.db2.gz ARPHFSRGDWABHG-NNFUDEMPSA-N 2 2 369.473 0.596 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056465 1205127136 /nfs/dbraw/zinc/12/71/36/1205127136.db2.gz FLAWFKOFAOERSK-DAYGRLMNSA-N 2 2 357.462 0.943 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056465 1205127137 /nfs/dbraw/zinc/12/71/37/1205127137.db2.gz FLAWFKOFAOERSK-DAYGRLMNSA-N 2 2 357.462 0.943 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220442094 1224873238 /nfs/dbraw/zinc/87/32/38/1224873238.db2.gz XLHCVDCISONYJI-YUELXQCFSA-N 2 2 362.434 0.320 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220442094 1224873240 /nfs/dbraw/zinc/87/32/40/1224873240.db2.gz XLHCVDCISONYJI-YUELXQCFSA-N 2 2 362.434 0.320 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092193937 1205188205 /nfs/dbraw/zinc/18/82/05/1205188205.db2.gz MOODJMVCBNGNHF-KUHUBIRLSA-N 2 2 368.441 0.407 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092193937 1205188207 /nfs/dbraw/zinc/18/82/07/1205188207.db2.gz MOODJMVCBNGNHF-KUHUBIRLSA-N 2 2 368.441 0.407 20 0 FCADLP COc1ccccc1C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001220445743 1224875349 /nfs/dbraw/zinc/87/53/49/1224875349.db2.gz SCFIJIGCBJNIKR-MGPUTAFESA-N 2 2 359.470 0.811 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301498 1205234536 /nfs/dbraw/zinc/23/45/36/1205234536.db2.gz KQDIHGZCSVDUQC-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301498 1205234537 /nfs/dbraw/zinc/23/45/37/1205234537.db2.gz KQDIHGZCSVDUQC-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301498 1205234543 /nfs/dbraw/zinc/23/45/43/1205234543.db2.gz KQDIHGZCSVDUQC-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092301498 1205234546 /nfs/dbraw/zinc/23/45/46/1205234546.db2.gz KQDIHGZCSVDUQC-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301245 1205234723 /nfs/dbraw/zinc/23/47/23/1205234723.db2.gz AEJIHSSNDSWYRD-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301245 1205234724 /nfs/dbraw/zinc/23/47/24/1205234724.db2.gz AEJIHSSNDSWYRD-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301245 1205234727 /nfs/dbraw/zinc/23/47/27/1205234727.db2.gz AEJIHSSNDSWYRD-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301245 1205234728 /nfs/dbraw/zinc/23/47/28/1205234728.db2.gz AEJIHSSNDSWYRD-AYBZRNKSSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1Nc1ncccn1 ZINC001092314955 1205245356 /nfs/dbraw/zinc/24/53/56/1205245356.db2.gz ZGFAGNALJFQVCF-HUUCEWRRSA-N 2 2 369.473 0.958 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092319958 1205247394 /nfs/dbraw/zinc/24/73/94/1205247394.db2.gz XXMIPCBFMVNJKS-KDOFPFPSSA-N 2 2 356.430 0.662 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092319958 1205247400 /nfs/dbraw/zinc/24/74/00/1205247400.db2.gz XXMIPCBFMVNJKS-KDOFPFPSSA-N 2 2 356.430 0.662 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092319319 1205247779 /nfs/dbraw/zinc/24/77/79/1205247779.db2.gz PCHPWMJEDJCSNL-FCEWJHQRSA-N 2 2 359.474 0.580 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092319319 1205247786 /nfs/dbraw/zinc/24/77/86/1205247786.db2.gz PCHPWMJEDJCSNL-FCEWJHQRSA-N 2 2 359.474 0.580 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C)[NH+](C)C ZINC001092860354 1205938421 /nfs/dbraw/zinc/93/84/21/1205938421.db2.gz AZMBGZSZUWMLIB-UNQGMJICSA-N 2 2 357.462 0.929 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092862691 1205938556 /nfs/dbraw/zinc/93/85/56/1205938556.db2.gz SGRBWZDOSJFSDO-SNPRPXQTSA-N 2 2 357.462 0.931 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092862691 1205938564 /nfs/dbraw/zinc/93/85/64/1205938564.db2.gz SGRBWZDOSJFSDO-SNPRPXQTSA-N 2 2 357.462 0.931 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnn(C)n3)C[C@H]1C)CC2 ZINC001092919646 1205945528 /nfs/dbraw/zinc/94/55/28/1205945528.db2.gz VWGVICOZWYSBGD-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnn(C)n3)C[C@H]1C)CC2 ZINC001092919646 1205945531 /nfs/dbraw/zinc/94/55/31/1205945531.db2.gz VWGVICOZWYSBGD-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cn(C)nn3)C[C@H]1C)C2 ZINC001092965459 1205967201 /nfs/dbraw/zinc/96/72/01/1205967201.db2.gz GPIKDCCJLGQFMT-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3cn(C)nn3)C[C@H]1C)C2 ZINC001092965459 1205967204 /nfs/dbraw/zinc/96/72/04/1205967204.db2.gz GPIKDCCJLGQFMT-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnnn3C)C[C@H]1C)C2 ZINC001092966230 1205968100 /nfs/dbraw/zinc/96/81/00/1205968100.db2.gz VYYKRKMYQPMFLV-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnnn3C)C[C@H]1C)C2 ZINC001092966230 1205968104 /nfs/dbraw/zinc/96/81/04/1205968104.db2.gz VYYKRKMYQPMFLV-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220547955 1224920370 /nfs/dbraw/zinc/92/03/70/1224920370.db2.gz PAIVBUQVLXIANC-SJORKVTESA-N 2 2 360.462 0.109 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220547955 1224920379 /nfs/dbraw/zinc/92/03/79/1224920379.db2.gz PAIVBUQVLXIANC-SJORKVTESA-N 2 2 360.462 0.109 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001093125441 1206028660 /nfs/dbraw/zinc/02/86/60/1206028660.db2.gz RKUQSVVYQJDQSX-CKEIUWERSA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001093125441 1206028666 /nfs/dbraw/zinc/02/86/66/1206028666.db2.gz RKUQSVVYQJDQSX-CKEIUWERSA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001093125442 1206028854 /nfs/dbraw/zinc/02/88/54/1206028854.db2.gz RKUQSVVYQJDQSX-CPUCHLNUSA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001093125442 1206028858 /nfs/dbraw/zinc/02/88/58/1206028858.db2.gz RKUQSVVYQJDQSX-CPUCHLNUSA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137036 1206033403 /nfs/dbraw/zinc/03/34/03/1206033403.db2.gz KDVJSTXPLNGQNK-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137036 1206033409 /nfs/dbraw/zinc/03/34/09/1206033409.db2.gz KDVJSTXPLNGQNK-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553192 1224925270 /nfs/dbraw/zinc/92/52/70/1224925270.db2.gz CBAYCURWLCJHSX-QGTPRVQTSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553192 1224925279 /nfs/dbraw/zinc/92/52/79/1224925279.db2.gz CBAYCURWLCJHSX-QGTPRVQTSA-N 2 2 365.449 0.770 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212690 1206060048 /nfs/dbraw/zinc/06/00/48/1206060048.db2.gz PJYSLVGIJONIAW-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212690 1206060049 /nfs/dbraw/zinc/06/00/49/1206060049.db2.gz PJYSLVGIJONIAW-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212690 1206060055 /nfs/dbraw/zinc/06/00/55/1206060055.db2.gz PJYSLVGIJONIAW-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093212690 1206060059 /nfs/dbraw/zinc/06/00/59/1206060059.db2.gz PJYSLVGIJONIAW-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224939 1206063483 /nfs/dbraw/zinc/06/34/83/1206063483.db2.gz HABMZKFPGLXKCJ-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224939 1206063484 /nfs/dbraw/zinc/06/34/84/1206063484.db2.gz HABMZKFPGLXKCJ-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224939 1206063485 /nfs/dbraw/zinc/06/34/85/1206063485.db2.gz HABMZKFPGLXKCJ-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224939 1206063487 /nfs/dbraw/zinc/06/34/87/1206063487.db2.gz HABMZKFPGLXKCJ-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093278689 1206070507 /nfs/dbraw/zinc/07/05/07/1206070507.db2.gz UQBXRDPXIQFSSB-UMVBOHGHSA-N 2 2 361.446 0.222 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093278689 1206070511 /nfs/dbraw/zinc/07/05/11/1206070511.db2.gz UQBXRDPXIQFSSB-UMVBOHGHSA-N 2 2 361.446 0.222 20 0 FCADLP CC(C)[C@@H]1N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093473194 1206087050 /nfs/dbraw/zinc/08/70/50/1206087050.db2.gz NFVCVEAOMLCSCG-GTACMHHNSA-N 2 2 364.490 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nnnn1C1CC1 ZINC001093743189 1206115250 /nfs/dbraw/zinc/11/52/50/1206115250.db2.gz UFSRWJVEZIEHIT-CHWSQXEVSA-N 2 2 358.450 0.548 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001093873321 1206139287 /nfs/dbraw/zinc/13/92/87/1206139287.db2.gz KETUAQSVHLWODB-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C)n1 ZINC001093873560 1206139308 /nfs/dbraw/zinc/13/93/08/1206139308.db2.gz PGQQWKBMFAVYJY-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)C2 ZINC001093875548 1206139780 /nfs/dbraw/zinc/13/97/80/1206139780.db2.gz ZAHHZSVNYPJLTN-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)CC2 ZINC001093875548 1206139782 /nfs/dbraw/zinc/13/97/82/1206139782.db2.gz ZAHHZSVNYPJLTN-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001093878966 1206140762 /nfs/dbraw/zinc/14/07/62/1206140762.db2.gz JFCNBMVOGBLJHB-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001093856924 1206146156 /nfs/dbraw/zinc/14/61/56/1206146156.db2.gz LBKYAFMFNUHEOR-UKRRQHHQSA-N 2 2 358.446 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093913702 1206148014 /nfs/dbraw/zinc/14/80/14/1206148014.db2.gz CMGROAKJAJTCGM-MGPQQGTHSA-N 2 2 369.425 0.437 20 0 FCADLP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)n1 ZINC001093951322 1206157121 /nfs/dbraw/zinc/15/71/21/1206157121.db2.gz HNASRFLEPBHSQP-HUUCEWRRSA-N 2 2 358.446 0.956 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001093934431 1206161909 /nfs/dbraw/zinc/16/19/09/1206161909.db2.gz PUBGQEXTZCRVGA-OAGGEKHMSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C[NH2+]CC1CC1 ZINC001093936697 1206162518 /nfs/dbraw/zinc/16/25/18/1206162518.db2.gz UUMJGXILSKJIFZ-OWYHZJEWSA-N 2 2 365.518 0.960 20 0 FCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094110801 1206185830 /nfs/dbraw/zinc/18/58/30/1206185830.db2.gz PDGDNUJJLNNZBB-IIAWOOMASA-N 2 2 365.478 0.845 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC001094189721 1206204877 /nfs/dbraw/zinc/20/48/77/1206204877.db2.gz IZHHOMSFUDTGTQ-DGCLKSJQSA-N 2 2 362.434 0.674 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094244396 1206210073 /nfs/dbraw/zinc/21/00/73/1206210073.db2.gz QLICIYRFAWVXSC-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c(C)n1 ZINC001094253878 1206211478 /nfs/dbraw/zinc/21/14/78/1206211478.db2.gz FCNKEELUBASRCG-CZUORRHYSA-N 2 2 358.446 0.874 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cn(C2C[NH+](CC3CC3)C2)nn1 ZINC001094319183 1206214415 /nfs/dbraw/zinc/21/44/15/1206214415.db2.gz VFCSWBRMOHDESR-HZPDHXFCSA-N 2 2 355.446 0.698 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](Cc4ccccc4)C3)C2)CC[N@@H+]1C ZINC001094739161 1206245101 /nfs/dbraw/zinc/24/51/01/1206245101.db2.gz SPDURSSCGJQZDI-HHXXYDBFSA-N 2 2 370.497 0.928 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC(=O)N(C3C[NH+](Cc4ccccc4)C3)C2)CC[N@H+]1C ZINC001094739161 1206245102 /nfs/dbraw/zinc/24/51/02/1206245102.db2.gz SPDURSSCGJQZDI-HHXXYDBFSA-N 2 2 370.497 0.928 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O)C(C)C ZINC001220572611 1224940091 /nfs/dbraw/zinc/94/00/91/1224940091.db2.gz CRRZGHFYWAKBFO-RYRKJORJSA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O)C(C)C ZINC001220572611 1224940097 /nfs/dbraw/zinc/94/00/97/1224940097.db2.gz CRRZGHFYWAKBFO-RYRKJORJSA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O)C(C)C ZINC001220573514 1224942395 /nfs/dbraw/zinc/94/23/95/1224942395.db2.gz ZAJYUKZCZBTTLE-SQNIBIBYSA-N 2 2 365.522 0.756 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O)C(C)C ZINC001220573514 1224942405 /nfs/dbraw/zinc/94/24/05/1224942405.db2.gz ZAJYUKZCZBTTLE-SQNIBIBYSA-N 2 2 365.522 0.756 20 0 FCADLP Cn1nnc2c1CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001176829375 1206321540 /nfs/dbraw/zinc/32/15/40/1206321540.db2.gz PWQYZWNPULSMIS-MRXNPFEDSA-N 2 2 373.461 0.319 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178692732 1206362729 /nfs/dbraw/zinc/36/27/29/1206362729.db2.gz TXUMNLMEFPUOGX-GJYPPUQNSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001178692732 1206362731 /nfs/dbraw/zinc/36/27/31/1206362731.db2.gz TXUMNLMEFPUOGX-GJYPPUQNSA-N 2 2 367.490 0.726 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)C1 ZINC001180757919 1206398565 /nfs/dbraw/zinc/39/85/65/1206398565.db2.gz IIIDDZSJVKXBDD-INIZCTEOSA-N 2 2 370.457 0.288 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)C1 ZINC001180757919 1206398567 /nfs/dbraw/zinc/39/85/67/1206398567.db2.gz IIIDDZSJVKXBDD-INIZCTEOSA-N 2 2 370.457 0.288 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]Cc1cn(C)nn1 ZINC001182669575 1206441088 /nfs/dbraw/zinc/44/10/88/1206441088.db2.gz RAXGTWVPPPYJOE-NVQRDWNXSA-N 2 2 371.489 0.927 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H](O)C(C)(C)C)CC2)C1=O ZINC001182738338 1206443455 /nfs/dbraw/zinc/44/34/55/1206443455.db2.gz BROJWVJZVXEGIZ-OAHLLOKOSA-N 2 2 368.522 0.090 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H](O)C(C)(C)C)CC2)C1=O ZINC001182738338 1206443456 /nfs/dbraw/zinc/44/34/56/1206443456.db2.gz BROJWVJZVXEGIZ-OAHLLOKOSA-N 2 2 368.522 0.090 20 0 FCADLP COCCCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001185619670 1206484079 /nfs/dbraw/zinc/48/40/79/1206484079.db2.gz VKOQGCKBLNJYFF-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP COCCCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001185619670 1206484081 /nfs/dbraw/zinc/48/40/81/1206484081.db2.gz VKOQGCKBLNJYFF-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC001186056294 1206492630 /nfs/dbraw/zinc/49/26/30/1206492630.db2.gz XEMXQLAPHDYTGS-INIZCTEOSA-N 2 2 365.449 0.982 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](O)C3)CC2)c1 ZINC001186056294 1206492632 /nfs/dbraw/zinc/49/26/32/1206492632.db2.gz XEMXQLAPHDYTGS-INIZCTEOSA-N 2 2 365.449 0.982 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186354086 1206496133 /nfs/dbraw/zinc/49/61/33/1206496133.db2.gz VZPWNSRHHVLXRE-BXWFABGCSA-N 2 2 367.490 0.583 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186354086 1206496136 /nfs/dbraw/zinc/49/61/36/1206496136.db2.gz VZPWNSRHHVLXRE-BXWFABGCSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001273544632 1207379410 /nfs/dbraw/zinc/37/94/10/1207379410.db2.gz RXTSFUXCQZKUNT-OAHLLOKOSA-N 2 2 361.490 0.991 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188218996 1207434672 /nfs/dbraw/zinc/43/46/72/1207434672.db2.gz BFBMUTBAFKBSKQ-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188218996 1207434673 /nfs/dbraw/zinc/43/46/73/1207434673.db2.gz BFBMUTBAFKBSKQ-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188218996 1207434675 /nfs/dbraw/zinc/43/46/75/1207434675.db2.gz BFBMUTBAFKBSKQ-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188218996 1207434676 /nfs/dbraw/zinc/43/46/76/1207434676.db2.gz BFBMUTBAFKBSKQ-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188374860 1207447848 /nfs/dbraw/zinc/44/78/48/1207447848.db2.gz DCZYLCVHLCPGFD-YESZJQIVSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188374860 1207447852 /nfs/dbraw/zinc/44/78/52/1207447852.db2.gz DCZYLCVHLCPGFD-YESZJQIVSA-N 2 2 362.474 0.641 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455739 1207457285 /nfs/dbraw/zinc/45/72/85/1207457285.db2.gz DLMTUIVWRNFOOL-CORIIIEPSA-N 2 2 370.413 0.064 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188455739 1207457288 /nfs/dbraw/zinc/45/72/88/1207457288.db2.gz DLMTUIVWRNFOOL-CORIIIEPSA-N 2 2 370.413 0.064 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001188568847 1207463769 /nfs/dbraw/zinc/46/37/69/1207463769.db2.gz VRACOTFALZZRRF-DLBZAZTESA-N 2 2 359.474 0.593 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001188568847 1207463774 /nfs/dbraw/zinc/46/37/74/1207463774.db2.gz VRACOTFALZZRRF-DLBZAZTESA-N 2 2 359.474 0.593 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188629890 1207470480 /nfs/dbraw/zinc/47/04/80/1207470480.db2.gz FVUINFOQOQFLIQ-JKSUJKDBSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001188629890 1207470482 /nfs/dbraw/zinc/47/04/82/1207470482.db2.gz FVUINFOQOQFLIQ-JKSUJKDBSA-N 2 2 359.474 0.412 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127771 1207509216 /nfs/dbraw/zinc/50/92/16/1207509216.db2.gz ZAQAAIOIMFIIMU-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127771 1207509223 /nfs/dbraw/zinc/50/92/23/1207509223.db2.gz ZAQAAIOIMFIIMU-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127771 1207509231 /nfs/dbraw/zinc/50/92/31/1207509231.db2.gz ZAQAAIOIMFIIMU-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127771 1207509240 /nfs/dbraw/zinc/50/92/40/1207509240.db2.gz ZAQAAIOIMFIIMU-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127770 1207510101 /nfs/dbraw/zinc/51/01/01/1207510101.db2.gz ZAQAAIOIMFIIMU-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127770 1207510103 /nfs/dbraw/zinc/51/01/03/1207510103.db2.gz ZAQAAIOIMFIIMU-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127770 1207510105 /nfs/dbraw/zinc/51/01/05/1207510105.db2.gz ZAQAAIOIMFIIMU-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127770 1207510108 /nfs/dbraw/zinc/51/01/08/1207510108.db2.gz ZAQAAIOIMFIIMU-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246542 1207523715 /nfs/dbraw/zinc/52/37/15/1207523715.db2.gz RMNNKXWHMPPNQI-IJEWVQPXSA-N 2 2 363.462 0.026 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246542 1207523718 /nfs/dbraw/zinc/52/37/18/1207523718.db2.gz RMNNKXWHMPPNQI-IJEWVQPXSA-N 2 2 363.462 0.026 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001189786660 1207600105 /nfs/dbraw/zinc/60/01/05/1207600105.db2.gz HYYHPKZRGTZOHE-CGTJXYLNSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21 ZINC001189786660 1207600110 /nfs/dbraw/zinc/60/01/10/1207600110.db2.gz HYYHPKZRGTZOHE-CGTJXYLNSA-N 2 2 362.474 0.691 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001189942452 1207627551 /nfs/dbraw/zinc/62/75/51/1207627551.db2.gz QFYPHIACFFACBZ-XYJFISCASA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001189942452 1207627560 /nfs/dbraw/zinc/62/75/60/1207627560.db2.gz QFYPHIACFFACBZ-XYJFISCASA-N 2 2 362.474 0.989 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190262494 1207669793 /nfs/dbraw/zinc/66/97/93/1207669793.db2.gz DSYVSELPRFWUIJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190262494 1207669797 /nfs/dbraw/zinc/66/97/97/1207669797.db2.gz DSYVSELPRFWUIJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001190262494 1207669800 /nfs/dbraw/zinc/66/98/00/1207669800.db2.gz DSYVSELPRFWUIJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001190262494 1207669805 /nfs/dbraw/zinc/66/98/05/1207669805.db2.gz DSYVSELPRFWUIJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687009 1225013662 /nfs/dbraw/zinc/01/36/62/1225013662.db2.gz CBGKIRKJJGLNHZ-DOTOQJQBSA-N 2 2 355.442 0.835 20 0 FCADLP O=C(NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220688016 1225014408 /nfs/dbraw/zinc/01/44/08/1225014408.db2.gz WVFXTDWLRJTURB-XLAORIBOSA-N 2 2 356.470 0.491 20 0 FCADLP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192581003 1207838632 /nfs/dbraw/zinc/83/86/32/1207838632.db2.gz QEGVBUFTZDRJGE-IAGOWNOFSA-N 2 2 358.442 0.891 20 0 FCADLP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192581003 1207838633 /nfs/dbraw/zinc/83/86/33/1207838633.db2.gz QEGVBUFTZDRJGE-IAGOWNOFSA-N 2 2 358.442 0.891 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001192632552 1207840751 /nfs/dbraw/zinc/84/07/51/1207840751.db2.gz JYLVHLJKJGEIRT-IAGOWNOFSA-N 2 2 356.426 0.734 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001192632552 1207840752 /nfs/dbraw/zinc/84/07/52/1207840752.db2.gz JYLVHLJKJGEIRT-IAGOWNOFSA-N 2 2 356.426 0.734 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109767 1207858321 /nfs/dbraw/zinc/85/83/21/1207858321.db2.gz BKTGWMMSMOXJQW-IAGOWNOFSA-N 2 2 364.490 0.738 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109767 1207858325 /nfs/dbraw/zinc/85/83/25/1207858325.db2.gz BKTGWMMSMOXJQW-IAGOWNOFSA-N 2 2 364.490 0.738 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738004 1207886748 /nfs/dbraw/zinc/88/67/48/1207886748.db2.gz LJSUMEQGRSHAGC-BZUAXINKSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738004 1207886750 /nfs/dbraw/zinc/88/67/50/1207886750.db2.gz LJSUMEQGRSHAGC-BZUAXINKSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738004 1207886752 /nfs/dbraw/zinc/88/67/52/1207886752.db2.gz LJSUMEQGRSHAGC-BZUAXINKSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O ZINC001193738004 1207886754 /nfs/dbraw/zinc/88/67/54/1207886754.db2.gz LJSUMEQGRSHAGC-BZUAXINKSA-N 2 2 368.522 0.325 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821573 1207892591 /nfs/dbraw/zinc/89/25/91/1207892591.db2.gz OCTAQNGHFFXRBM-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821573 1207892592 /nfs/dbraw/zinc/89/25/92/1207892592.db2.gz OCTAQNGHFFXRBM-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821573 1207892595 /nfs/dbraw/zinc/89/25/95/1207892595.db2.gz OCTAQNGHFFXRBM-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O)C1CCC1 ZINC001193821573 1207892596 /nfs/dbraw/zinc/89/25/96/1207892596.db2.gz OCTAQNGHFFXRBM-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001194244464 1207926474 /nfs/dbraw/zinc/92/64/74/1207926474.db2.gz RDSYLERMOAWORX-HZPDHXFCSA-N 2 2 362.474 0.177 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001194244464 1207926477 /nfs/dbraw/zinc/92/64/77/1207926477.db2.gz RDSYLERMOAWORX-HZPDHXFCSA-N 2 2 362.474 0.177 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001194244464 1207926481 /nfs/dbraw/zinc/92/64/81/1207926481.db2.gz RDSYLERMOAWORX-HZPDHXFCSA-N 2 2 362.474 0.177 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O ZINC001194244464 1207926484 /nfs/dbraw/zinc/92/64/84/1207926484.db2.gz RDSYLERMOAWORX-HZPDHXFCSA-N 2 2 362.474 0.177 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CC1 ZINC001194321149 1207932388 /nfs/dbraw/zinc/93/23/88/1207932388.db2.gz KMTXFOJBQDHLQX-BRWVUGGUSA-N 2 2 366.462 0.326 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1)C1CC1 ZINC001194321149 1207932393 /nfs/dbraw/zinc/93/23/93/1207932393.db2.gz KMTXFOJBQDHLQX-BRWVUGGUSA-N 2 2 366.462 0.326 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194408217 1207943379 /nfs/dbraw/zinc/94/33/79/1207943379.db2.gz IJQOEAAWQXIYSX-ARFHVFGLSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194408217 1207943386 /nfs/dbraw/zinc/94/33/86/1207943386.db2.gz IJQOEAAWQXIYSX-ARFHVFGLSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961432 1207984566 /nfs/dbraw/zinc/98/45/66/1207984566.db2.gz LUFHGVALMTUOQP-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961432 1207984569 /nfs/dbraw/zinc/98/45/69/1207984569.db2.gz LUFHGVALMTUOQP-ARFHVFGLSA-N 2 2 368.522 0.137 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006873 1207988783 /nfs/dbraw/zinc/98/87/83/1207988783.db2.gz QZSZRBDWNKPKTH-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006873 1207988788 /nfs/dbraw/zinc/98/87/88/1207988788.db2.gz QZSZRBDWNKPKTH-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP Cc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195128931 1208000050 /nfs/dbraw/zinc/00/00/50/1208000050.db2.gz QFPUTVURTYSSRB-QZTJIDSGSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195128931 1208000054 /nfs/dbraw/zinc/00/00/54/1208000054.db2.gz QFPUTVURTYSSRB-QZTJIDSGSA-N 2 2 358.442 0.822 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221823 1208010974 /nfs/dbraw/zinc/01/09/74/1208010974.db2.gz IIFQDTQXWLFVNC-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221823 1208010977 /nfs/dbraw/zinc/01/09/77/1208010977.db2.gz IIFQDTQXWLFVNC-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549035 1208025354 /nfs/dbraw/zinc/02/53/54/1208025354.db2.gz POAMFVNWZJGJGG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549035 1208025358 /nfs/dbraw/zinc/02/53/58/1208025358.db2.gz POAMFVNWZJGJGG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549035 1208025360 /nfs/dbraw/zinc/02/53/60/1208025360.db2.gz POAMFVNWZJGJGG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2O)C1 ZINC001195549035 1208025363 /nfs/dbraw/zinc/02/53/63/1208025363.db2.gz POAMFVNWZJGJGG-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(C)C ZINC001195661512 1208034754 /nfs/dbraw/zinc/03/47/54/1208034754.db2.gz PVSKGXQHLREXBO-HZPDHXFCSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(C)C ZINC001195661512 1208034755 /nfs/dbraw/zinc/03/47/55/1208034755.db2.gz PVSKGXQHLREXBO-HZPDHXFCSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001195973182 1208048759 /nfs/dbraw/zinc/04/87/59/1208048759.db2.gz POWUCXCTLFEMHD-JFIYKMOQSA-N 2 2 363.506 0.395 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1O ZINC001196940309 1208123800 /nfs/dbraw/zinc/12/38/00/1208123800.db2.gz PTNUDWHGFMSGKU-ZSKSOVMSSA-N 2 2 359.470 0.583 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1O ZINC001196940309 1208123802 /nfs/dbraw/zinc/12/38/02/1208123802.db2.gz PTNUDWHGFMSGKU-ZSKSOVMSSA-N 2 2 359.470 0.583 20 0 FCADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954204 1208125437 /nfs/dbraw/zinc/12/54/37/1208125437.db2.gz SJPOZLVJPLSYLP-BMGDILEWSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954204 1208125440 /nfs/dbraw/zinc/12/54/40/1208125440.db2.gz SJPOZLVJPLSYLP-BMGDILEWSA-N 2 2 365.449 0.770 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1O ZINC001197009280 1208129323 /nfs/dbraw/zinc/12/93/23/1208129323.db2.gz ADKKWIXARVMRNW-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1O ZINC001197009280 1208129328 /nfs/dbraw/zinc/12/93/28/1208129328.db2.gz ADKKWIXARVMRNW-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001197009280 1208129331 /nfs/dbraw/zinc/12/93/31/1208129331.db2.gz ADKKWIXARVMRNW-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001197009280 1208129335 /nfs/dbraw/zinc/12/93/35/1208129335.db2.gz ADKKWIXARVMRNW-QZTJIDSGSA-N 2 2 363.506 0.958 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197049604 1208130752 /nfs/dbraw/zinc/13/07/52/1208130752.db2.gz ODAFUYABHRRZNC-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197049604 1208130754 /nfs/dbraw/zinc/13/07/54/1208130754.db2.gz ODAFUYABHRRZNC-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197025167 1208133274 /nfs/dbraw/zinc/13/32/74/1208133274.db2.gz OYAKDNWAHVAHAG-JFIYKMOQSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197025167 1208133276 /nfs/dbraw/zinc/13/32/76/1208133276.db2.gz OYAKDNWAHVAHAG-JFIYKMOQSA-N 2 2 370.538 0.383 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294498 1208154244 /nfs/dbraw/zinc/15/42/44/1208154244.db2.gz AAMLFWJCXXBDAA-HYVNUMGLSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294498 1208154247 /nfs/dbraw/zinc/15/42/47/1208154247.db2.gz AAMLFWJCXXBDAA-HYVNUMGLSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294498 1208154252 /nfs/dbraw/zinc/15/42/52/1208154252.db2.gz AAMLFWJCXXBDAA-HYVNUMGLSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197294498 1208154256 /nfs/dbraw/zinc/15/42/56/1208154256.db2.gz AAMLFWJCXXBDAA-HYVNUMGLSA-N 2 2 369.473 0.768 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CC1 ZINC001197412558 1208162652 /nfs/dbraw/zinc/16/26/52/1208162652.db2.gz VPUUVFVTHVBWHF-HZPDHXFCSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CC1 ZINC001197412558 1208162654 /nfs/dbraw/zinc/16/26/54/1208162654.db2.gz VPUUVFVTHVBWHF-HZPDHXFCSA-N 2 2 368.522 0.183 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493233 1208172058 /nfs/dbraw/zinc/17/20/58/1208172058.db2.gz HHRAKNKAZSQEBG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493233 1208172062 /nfs/dbraw/zinc/17/20/62/1208172062.db2.gz HHRAKNKAZSQEBG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493233 1208172064 /nfs/dbraw/zinc/17/20/64/1208172064.db2.gz HHRAKNKAZSQEBG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197493233 1208172067 /nfs/dbraw/zinc/17/20/67/1208172067.db2.gz HHRAKNKAZSQEBG-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752532 1208194442 /nfs/dbraw/zinc/19/44/42/1208194442.db2.gz PNSWDQAGUQDKJJ-KBRIMQKVSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752532 1208194443 /nfs/dbraw/zinc/19/44/43/1208194443.db2.gz PNSWDQAGUQDKJJ-KBRIMQKVSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926595 1208206320 /nfs/dbraw/zinc/20/63/20/1208206320.db2.gz PUBWERHYDDBEML-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926595 1208206321 /nfs/dbraw/zinc/20/63/21/1208206321.db2.gz PUBWERHYDDBEML-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)CC1 ZINC001197941973 1208208066 /nfs/dbraw/zinc/20/80/66/1208208066.db2.gz SFEWQTUOSLIMNV-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)CC1 ZINC001197941973 1208208068 /nfs/dbraw/zinc/20/80/68/1208208068.db2.gz SFEWQTUOSLIMNV-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950277 1208208662 /nfs/dbraw/zinc/20/86/62/1208208662.db2.gz YHIZSOVNLVDNJK-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950277 1208208665 /nfs/dbraw/zinc/20/86/65/1208208665.db2.gz YHIZSOVNLVDNJK-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001197996806 1208212546 /nfs/dbraw/zinc/21/25/46/1208212546.db2.gz HGNCUWIHHGHLMA-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001197996806 1208212549 /nfs/dbraw/zinc/21/25/49/1208212549.db2.gz HGNCUWIHHGHLMA-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001197996806 1208212550 /nfs/dbraw/zinc/21/25/50/1208212550.db2.gz HGNCUWIHHGHLMA-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001197996806 1208212554 /nfs/dbraw/zinc/21/25/54/1208212554.db2.gz HGNCUWIHHGHLMA-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038004 1208216060 /nfs/dbraw/zinc/21/60/60/1208216060.db2.gz FWCNABZRTPITNN-GVDBMIGSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038004 1208216063 /nfs/dbraw/zinc/21/60/63/1208216063.db2.gz FWCNABZRTPITNN-GVDBMIGSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038004 1208216066 /nfs/dbraw/zinc/21/60/66/1208216066.db2.gz FWCNABZRTPITNN-GVDBMIGSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198038004 1208216070 /nfs/dbraw/zinc/21/60/70/1208216070.db2.gz FWCNABZRTPITNN-GVDBMIGSSA-N 2 2 370.538 0.430 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024080 1208310437 /nfs/dbraw/zinc/31/04/37/1208310437.db2.gz ZAKHXQTZKDHUKH-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199024080 1208310440 /nfs/dbraw/zinc/31/04/40/1208310440.db2.gz ZAKHXQTZKDHUKH-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1 ZINC001199119691 1208319275 /nfs/dbraw/zinc/31/92/75/1208319275.db2.gz QEKSGXXADKMPBS-GUDVDZBRSA-N 2 2 361.486 0.877 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1 ZINC001199119691 1208319277 /nfs/dbraw/zinc/31/92/77/1208319277.db2.gz QEKSGXXADKMPBS-GUDVDZBRSA-N 2 2 361.486 0.877 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001199353503 1208339117 /nfs/dbraw/zinc/33/91/17/1208339117.db2.gz GFEFFWCLTHQWAH-QZTJIDSGSA-N 2 2 358.442 0.517 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001199353503 1208339118 /nfs/dbraw/zinc/33/91/18/1208339118.db2.gz GFEFFWCLTHQWAH-QZTJIDSGSA-N 2 2 358.442 0.517 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370020 1208343864 /nfs/dbraw/zinc/34/38/64/1208343864.db2.gz HBJLBAIFOUGPHR-CGTJXYLNSA-N 2 2 361.490 0.965 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370020 1208343867 /nfs/dbraw/zinc/34/38/67/1208343867.db2.gz HBJLBAIFOUGPHR-CGTJXYLNSA-N 2 2 361.490 0.965 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569805 1208463289 /nfs/dbraw/zinc/46/32/89/1208463289.db2.gz ZZHZTZNLAQXCAI-XDNAFOTISA-N 2 2 362.518 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569805 1208463293 /nfs/dbraw/zinc/46/32/93/1208463293.db2.gz ZZHZTZNLAQXCAI-XDNAFOTISA-N 2 2 362.518 0.822 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220828897 1225092653 /nfs/dbraw/zinc/09/26/53/1225092653.db2.gz HLSRKZZETLZXOG-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220828897 1225092659 /nfs/dbraw/zinc/09/26/59/1225092659.db2.gz HLSRKZZETLZXOG-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220828897 1225092670 /nfs/dbraw/zinc/09/26/70/1225092670.db2.gz HLSRKZZETLZXOG-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000851633069 1209507699 /nfs/dbraw/zinc/50/76/99/1209507699.db2.gz XQVKKDUPEQORPB-UHFFFAOYSA-N 2 2 357.462 0.702 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@H+](C[C@@H]1CCOC1)C2 ZINC001202484844 1209519312 /nfs/dbraw/zinc/51/93/12/1209519312.db2.gz FCCYKTGWKWOPIH-IRXDYDNUSA-N 2 2 364.490 0.705 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@@H+](C[C@@H]1CCOC1)C2 ZINC001202484844 1209519322 /nfs/dbraw/zinc/51/93/22/1209519322.db2.gz FCCYKTGWKWOPIH-IRXDYDNUSA-N 2 2 364.490 0.705 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110642990 1209531753 /nfs/dbraw/zinc/53/17/53/1209531753.db2.gz UQXWDJQYULAPCT-VQHPVUNQSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110642990 1209531757 /nfs/dbraw/zinc/53/17/57/1209531757.db2.gz UQXWDJQYULAPCT-VQHPVUNQSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110642990 1209531765 /nfs/dbraw/zinc/53/17/65/1209531765.db2.gz UQXWDJQYULAPCT-VQHPVUNQSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853741246 1209605140 /nfs/dbraw/zinc/60/51/40/1209605140.db2.gz DUKZWAVTPJUQQT-QZTJIDSGSA-N 2 2 366.506 0.746 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4(CNC(=O)O4)CC3)C2)CC1 ZINC000780465068 1209617033 /nfs/dbraw/zinc/61/70/33/1209617033.db2.gz HGNBIXYSOXHJBM-CQSZACIVSA-N 2 2 365.478 0.439 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4(CNC(=O)O4)CC3)C2)CC1 ZINC000780465068 1209617036 /nfs/dbraw/zinc/61/70/36/1209617036.db2.gz HGNBIXYSOXHJBM-CQSZACIVSA-N 2 2 365.478 0.439 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828966 1209731334 /nfs/dbraw/zinc/73/13/34/1209731334.db2.gz YREOUIOBOHPQQV-IXDOHACOSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828966 1209731338 /nfs/dbraw/zinc/73/13/38/1209731338.db2.gz YREOUIOBOHPQQV-IXDOHACOSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828966 1209731345 /nfs/dbraw/zinc/73/13/45/1209731345.db2.gz YREOUIOBOHPQQV-IXDOHACOSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828966 1209731352 /nfs/dbraw/zinc/73/13/52/1209731352.db2.gz YREOUIOBOHPQQV-IXDOHACOSA-N 2 2 369.506 0.877 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717835 1209741128 /nfs/dbraw/zinc/74/11/28/1209741128.db2.gz KDHWGFYMYGEURL-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717835 1209741130 /nfs/dbraw/zinc/74/11/30/1209741130.db2.gz KDHWGFYMYGEURL-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220969105 1225165433 /nfs/dbraw/zinc/16/54/33/1225165433.db2.gz OLDBPENUDYSNAH-INIZCTEOSA-N 2 2 371.441 0.506 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000861738674 1209878261 /nfs/dbraw/zinc/87/82/61/1209878261.db2.gz AVWPHOHHDPDRSL-KRWDZBQOSA-N 2 2 355.442 0.945 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001110817273 1209910431 /nfs/dbraw/zinc/91/04/31/1209910431.db2.gz VRAGNBVROVRTSM-OAGGEKHMSA-N 2 2 362.478 0.621 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001110817273 1209910435 /nfs/dbraw/zinc/91/04/35/1209910435.db2.gz VRAGNBVROVRTSM-OAGGEKHMSA-N 2 2 362.478 0.621 20 0 FCADLP CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000863552117 1209945249 /nfs/dbraw/zinc/94/52/49/1209945249.db2.gz VZUKSQOHKKXPLL-HNNXBMFYSA-N 2 2 370.494 0.112 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)c1 ZINC000863755374 1209950355 /nfs/dbraw/zinc/95/03/55/1209950355.db2.gz NVVDYIVXSRTMRI-GJZGRUSLSA-N 2 2 362.474 0.706 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001220995468 1225179634 /nfs/dbraw/zinc/17/96/34/1225179634.db2.gz ZJVBBRXPOALBOF-GJZGRUSLSA-N 2 2 354.389 0.698 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215002 1210044641 /nfs/dbraw/zinc/04/46/41/1210044641.db2.gz AFENMDJMTUBRTB-MSOLQXFVSA-N 2 2 365.522 0.271 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000868215002 1210044645 /nfs/dbraw/zinc/04/46/45/1210044645.db2.gz AFENMDJMTUBRTB-MSOLQXFVSA-N 2 2 365.522 0.271 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062236 1225204164 /nfs/dbraw/zinc/20/41/64/1225204164.db2.gz MTZKBGKKZVRPHW-ZACQAIPSSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062236 1225204169 /nfs/dbraw/zinc/20/41/69/1225204169.db2.gz MTZKBGKKZVRPHW-ZACQAIPSSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083422 1225215279 /nfs/dbraw/zinc/21/52/79/1225215279.db2.gz KUNCCUXEBBQKJA-IKGGRYGDSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083422 1225215285 /nfs/dbraw/zinc/21/52/85/1225215285.db2.gz KUNCCUXEBBQKJA-IKGGRYGDSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083422 1225215289 /nfs/dbraw/zinc/21/52/89/1225215289.db2.gz KUNCCUXEBBQKJA-IKGGRYGDSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083422 1225215291 /nfs/dbraw/zinc/21/52/91/1225215291.db2.gz KUNCCUXEBBQKJA-IKGGRYGDSA-N 2 2 371.428 0.500 20 0 FCADLP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535241 1210487348 /nfs/dbraw/zinc/48/73/48/1210487348.db2.gz KFSBZZCVHOXWSI-OKZBNKHCSA-N 2 2 357.454 0.824 20 0 FCADLP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535241 1210487351 /nfs/dbraw/zinc/48/73/51/1210487351.db2.gz KFSBZZCVHOXWSI-OKZBNKHCSA-N 2 2 357.454 0.824 20 0 FCADLP CN1C(=O)[C@H]2C[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535241 1210487355 /nfs/dbraw/zinc/48/73/55/1210487355.db2.gz KFSBZZCVHOXWSI-OKZBNKHCSA-N 2 2 357.454 0.824 20 0 FCADLP CN1C(=O)[C@H]2C[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2C1=O ZINC000879535241 1210487358 /nfs/dbraw/zinc/48/73/58/1210487358.db2.gz KFSBZZCVHOXWSI-OKZBNKHCSA-N 2 2 357.454 0.824 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](CO)[C@H](CO)C3)CC2)c1 ZINC000879693269 1210494235 /nfs/dbraw/zinc/49/42/35/1210494235.db2.gz LOGKVQLOZQVNNA-KDURUIRLSA-N 2 2 361.486 0.172 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](CO)[C@H](CO)C3)CC2)c1 ZINC000879693269 1210494242 /nfs/dbraw/zinc/49/42/42/1210494242.db2.gz LOGKVQLOZQVNNA-KDURUIRLSA-N 2 2 361.486 0.172 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)Cn3cc([C@@H](C)[NH3+])nn3)CC2)cc1 ZINC000881287524 1210582665 /nfs/dbraw/zinc/58/26/65/1210582665.db2.gz OLSRVQMXAAKFJP-CQSZACIVSA-N 2 2 358.446 0.651 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882636446 1210631037 /nfs/dbraw/zinc/63/10/37/1210631037.db2.gz RILSWYYNNOOQCR-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882636446 1210631051 /nfs/dbraw/zinc/63/10/51/1210631051.db2.gz RILSWYYNNOOQCR-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000882815341 1210636118 /nfs/dbraw/zinc/63/61/18/1210636118.db2.gz FYJABAZXSNSPKS-UHFFFAOYSA-N 2 2 374.489 0.623 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001221114325 1225227544 /nfs/dbraw/zinc/22/75/44/1225227544.db2.gz VNVKXKPZNTZOBO-LSDHHAIUSA-N 2 2 360.458 0.360 20 0 FCADLP Cn1ncc2cc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)cnc21 ZINC000883371582 1210664677 /nfs/dbraw/zinc/66/46/77/1210664677.db2.gz PUPRZBMEICTCHC-GOSISDBHSA-N 2 2 358.490 0.855 20 0 FCADLP Cn1ccc(-c2nc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)n1 ZINC000883439519 1210667494 /nfs/dbraw/zinc/66/74/94/1210667494.db2.gz TZUDRHFEGOWIRG-CFVMTHIKSA-N 2 2 374.470 0.911 20 0 FCADLP Cn1ccc(-c2nc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cs2)n1 ZINC000883439519 1210667500 /nfs/dbraw/zinc/66/75/00/1210667500.db2.gz TZUDRHFEGOWIRG-CFVMTHIKSA-N 2 2 374.470 0.911 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883436869 1210667558 /nfs/dbraw/zinc/66/75/58/1210667558.db2.gz CYVLHPFMGXJBOD-KRWDZBQOSA-N 2 2 366.506 0.605 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884205782 1210722307 /nfs/dbraw/zinc/72/23/07/1210722307.db2.gz FZZJPQCUXKKUDS-SJORKVTESA-N 2 2 360.506 0.938 20 0 FCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000884639237 1210769917 /nfs/dbraw/zinc/76/99/17/1210769917.db2.gz SQYNRUHGEZYDFV-PBHICJAKSA-N 2 2 371.441 0.570 20 0 FCADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)C(=O)NC1C[NH2+]C1 ZINC000884693076 1210782205 /nfs/dbraw/zinc/78/22/05/1210782205.db2.gz KYNUEDYRDCQNFJ-UHFFFAOYSA-N 2 2 353.426 0.292 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000884721477 1210788363 /nfs/dbraw/zinc/78/83/63/1210788363.db2.gz LQJXWKDYJMCRMT-UHFFFAOYSA-N 2 2 370.497 0.929 20 0 FCADLP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884791134 1210796521 /nfs/dbraw/zinc/79/65/21/1210796521.db2.gz RBWCJEZNEWATFT-NLGTXKQRSA-N 2 2 353.426 0.609 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884970584 1210806071 /nfs/dbraw/zinc/80/60/71/1210806071.db2.gz NGQLYSQMFGGOAG-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884970584 1210806072 /nfs/dbraw/zinc/80/60/72/1210806072.db2.gz NGQLYSQMFGGOAG-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)c1 ZINC000885018798 1210809056 /nfs/dbraw/zinc/80/90/56/1210809056.db2.gz SVCUFGNEJNAELJ-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)c1 ZINC000885018798 1210809057 /nfs/dbraw/zinc/80/90/57/1210809057.db2.gz SVCUFGNEJNAELJ-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227488 1210815924 /nfs/dbraw/zinc/81/59/24/1210815924.db2.gz IXWVJQHAAQXQGL-LPHOPBHVSA-N 2 2 355.442 0.938 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[C@H]1[NH3+] ZINC000885227729 1210816307 /nfs/dbraw/zinc/81/63/07/1210816307.db2.gz MHQGPQWCCJNUQN-DJIMGWMZSA-N 2 2 355.442 0.936 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000885227694 1210816379 /nfs/dbraw/zinc/81/63/79/1210816379.db2.gz LJFRSJWSTVJXRO-BFYDXBDKSA-N 2 2 355.442 0.949 20 0 FCADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000885228145 1210816450 /nfs/dbraw/zinc/81/64/50/1210816450.db2.gz OHEBWEXFSVAXLE-NLGTXKQRSA-N 2 2 353.426 0.690 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1n1cc[nH+]c1 ZINC000885285068 1210817075 /nfs/dbraw/zinc/81/70/75/1210817075.db2.gz LZHVPITWQMZFOQ-HZSPNIEDSA-N 2 2 369.416 0.654 20 0 FCADLP CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000886850378 1210837834 /nfs/dbraw/zinc/83/78/34/1210837834.db2.gz CLFYDQAURQEJOR-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887132331 1210848956 /nfs/dbraw/zinc/84/89/56/1210848956.db2.gz CWIKOYUNJHUSTR-HNNXBMFYSA-N 2 2 359.474 0.719 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887132331 1210848959 /nfs/dbraw/zinc/84/89/59/1210848959.db2.gz CWIKOYUNJHUSTR-HNNXBMFYSA-N 2 2 359.474 0.719 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221161260 1225246257 /nfs/dbraw/zinc/24/62/57/1225246257.db2.gz DGRSHSLBTGODQI-KURKYZTESA-N 2 2 364.490 0.766 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001221161260 1225246261 /nfs/dbraw/zinc/24/62/61/1225246261.db2.gz DGRSHSLBTGODQI-KURKYZTESA-N 2 2 364.490 0.766 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)cn1 ZINC001221161567 1225246752 /nfs/dbraw/zinc/24/67/52/1225246752.db2.gz SXXVIUGQZOTVBS-SJORKVTESA-N 2 2 360.462 0.284 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)cn1 ZINC001221161567 1225246756 /nfs/dbraw/zinc/24/67/56/1225246756.db2.gz SXXVIUGQZOTVBS-SJORKVTESA-N 2 2 360.462 0.284 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162884 1225247302 /nfs/dbraw/zinc/24/73/02/1225247302.db2.gz LARGQEWBWLLNIP-MOPGFXCFSA-N 2 2 363.502 0.952 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162884 1225247307 /nfs/dbraw/zinc/24/73/07/1225247307.db2.gz LARGQEWBWLLNIP-MOPGFXCFSA-N 2 2 363.502 0.952 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162884 1225247311 /nfs/dbraw/zinc/24/73/11/1225247311.db2.gz LARGQEWBWLLNIP-MOPGFXCFSA-N 2 2 363.502 0.952 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162884 1225247317 /nfs/dbraw/zinc/24/73/17/1225247317.db2.gz LARGQEWBWLLNIP-MOPGFXCFSA-N 2 2 363.502 0.952 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163322 1225247346 /nfs/dbraw/zinc/24/73/46/1225247346.db2.gz ZTATXZAKAQLCNR-SJORKVTESA-N 2 2 358.442 0.776 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163322 1225247352 /nfs/dbraw/zinc/24/73/52/1225247352.db2.gz ZTATXZAKAQLCNR-SJORKVTESA-N 2 2 358.442 0.776 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163322 1225247356 /nfs/dbraw/zinc/24/73/56/1225247356.db2.gz ZTATXZAKAQLCNR-SJORKVTESA-N 2 2 358.442 0.776 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163322 1225247365 /nfs/dbraw/zinc/24/73/65/1225247365.db2.gz ZTATXZAKAQLCNR-SJORKVTESA-N 2 2 358.442 0.776 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001221164240 1225248712 /nfs/dbraw/zinc/24/87/12/1225248712.db2.gz AGXCEUBXQVYRBS-MSOLQXFVSA-N 2 2 358.442 0.651 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1O ZINC001221164240 1225248717 /nfs/dbraw/zinc/24/87/17/1225248717.db2.gz AGXCEUBXQVYRBS-MSOLQXFVSA-N 2 2 358.442 0.651 20 0 FCADLP COCC[C@H](c1ccccc1)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164846 1225249145 /nfs/dbraw/zinc/24/91/45/1225249145.db2.gz UYSGRESOPXKFBJ-KURKYZTESA-N 2 2 358.442 0.822 20 0 FCADLP COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164846 1225249152 /nfs/dbraw/zinc/24/91/52/1225249152.db2.gz UYSGRESOPXKFBJ-KURKYZTESA-N 2 2 358.442 0.822 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110873430 1211005969 /nfs/dbraw/zinc/00/59/69/1211005969.db2.gz YUSJQADXPZYMNK-TWMKSMIVSA-N 2 2 358.446 0.252 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110873430 1211005972 /nfs/dbraw/zinc/00/59/72/1211005972.db2.gz YUSJQADXPZYMNK-TWMKSMIVSA-N 2 2 358.446 0.252 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001274397918 1211044179 /nfs/dbraw/zinc/04/41/79/1211044179.db2.gz VZJVKMKYXUUXNO-SQNIBIBYSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001274397918 1211044181 /nfs/dbraw/zinc/04/41/81/1211044181.db2.gz VZJVKMKYXUUXNO-SQNIBIBYSA-N 2 2 361.490 0.525 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274419043 1211050114 /nfs/dbraw/zinc/05/01/14/1211050114.db2.gz PQDUESQEUJWZFF-FGTMMUONSA-N 2 2 359.474 0.137 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274419043 1211050117 /nfs/dbraw/zinc/05/01/17/1211050117.db2.gz PQDUESQEUJWZFF-FGTMMUONSA-N 2 2 359.474 0.137 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274466290 1211060518 /nfs/dbraw/zinc/06/05/18/1211060518.db2.gz XKPKJAWDTNCLEN-IKGGRYGDSA-N 2 2 361.490 0.668 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274466290 1211060521 /nfs/dbraw/zinc/06/05/21/1211060521.db2.gz XKPKJAWDTNCLEN-IKGGRYGDSA-N 2 2 361.490 0.668 20 0 FCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1COCC[NH+]1Cc1ccccc1 ZINC001274693724 1211103368 /nfs/dbraw/zinc/10/33/68/1211103368.db2.gz DKUCPLISDLBDFV-GBESFXJTSA-N 2 2 359.470 0.819 20 0 FCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1COCC[NH+]1Cc1ccccc1 ZINC001274693724 1211103373 /nfs/dbraw/zinc/10/33/73/1211103373.db2.gz DKUCPLISDLBDFV-GBESFXJTSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC001274693724 1211103375 /nfs/dbraw/zinc/10/33/75/1211103375.db2.gz DKUCPLISDLBDFV-GBESFXJTSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC001274693724 1211103379 /nfs/dbraw/zinc/10/33/79/1211103379.db2.gz DKUCPLISDLBDFV-GBESFXJTSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022479 1211167321 /nfs/dbraw/zinc/16/73/21/1211167321.db2.gz RXSYIMJSLCGQQW-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022479 1211167322 /nfs/dbraw/zinc/16/73/22/1211167322.db2.gz RXSYIMJSLCGQQW-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022479 1211167324 /nfs/dbraw/zinc/16/73/24/1211167324.db2.gz RXSYIMJSLCGQQW-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4cocn4)C3)C2=O)CC1 ZINC001275022479 1211167325 /nfs/dbraw/zinc/16/73/25/1211167325.db2.gz RXSYIMJSLCGQQW-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP O=C1CC[C@H](C[NH+]2CCC3(CCC(=O)N(CCn4cc[nH+]c4)C3)CC2)N1 ZINC001275147616 1211179906 /nfs/dbraw/zinc/17/99/06/1211179906.db2.gz DHPHSNZBRYKIMU-MRXNPFEDSA-N 2 2 359.474 0.866 20 0 FCADLP O=C1CC[C@@H](C[NH+]2CCC3(CCC(=O)N(CCn4cc[nH+]c4)C3)CC2)N1 ZINC001275147614 1211179992 /nfs/dbraw/zinc/17/99/92/1211179992.db2.gz DHPHSNZBRYKIMU-INIZCTEOSA-N 2 2 359.474 0.866 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCC(=O)N1)CC2 ZINC001275153410 1211182004 /nfs/dbraw/zinc/18/20/04/1211182004.db2.gz TXYQPBOUXOHKDY-HNNXBMFYSA-N 2 2 359.474 0.903 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171101 1211188003 /nfs/dbraw/zinc/18/80/03/1211188003.db2.gz DENZZLXVMSANRV-YESZJQIVSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171101 1211188006 /nfs/dbraw/zinc/18/80/06/1211188006.db2.gz DENZZLXVMSANRV-YESZJQIVSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001275171101 1211188008 /nfs/dbraw/zinc/18/80/08/1211188008.db2.gz DENZZLXVMSANRV-YESZJQIVSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(=O)[nH]1 ZINC001275171101 1211188010 /nfs/dbraw/zinc/18/80/10/1211188010.db2.gz DENZZLXVMSANRV-YESZJQIVSA-N 2 2 359.474 0.208 20 0 FCADLP COc1ncc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275366640 1211224094 /nfs/dbraw/zinc/22/40/94/1211224094.db2.gz XHVPPCLWKJUPLG-GOSISDBHSA-N 2 2 363.462 0.098 20 0 FCADLP COc1ncc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275366640 1211224096 /nfs/dbraw/zinc/22/40/96/1211224096.db2.gz XHVPPCLWKJUPLG-GOSISDBHSA-N 2 2 363.462 0.098 20 0 FCADLP Cn1cncc1CN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555229 1211255833 /nfs/dbraw/zinc/25/58/33/1211255833.db2.gz PLAFGEVOYLYQLJ-ZWKOTPCHSA-N 2 2 367.444 0.836 20 0 FCADLP Cn1cncc1CN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555229 1211255835 /nfs/dbraw/zinc/25/58/35/1211255835.db2.gz PLAFGEVOYLYQLJ-ZWKOTPCHSA-N 2 2 367.444 0.836 20 0 FCADLP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275670235 1211270942 /nfs/dbraw/zinc/27/09/42/1211270942.db2.gz RIWOWFMISUVQHL-SFHVURJKSA-N 2 2 358.446 0.727 20 0 FCADLP Cc1n[nH]c(C)c1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275670235 1211270943 /nfs/dbraw/zinc/27/09/43/1211270943.db2.gz RIWOWFMISUVQHL-SFHVURJKSA-N 2 2 358.446 0.727 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833314 1211293722 /nfs/dbraw/zinc/29/37/22/1211293722.db2.gz AXZZXXJQGGQXIH-ZWKOTPCHSA-N 2 2 372.460 0.429 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833314 1211293724 /nfs/dbraw/zinc/29/37/24/1211293724.db2.gz AXZZXXJQGGQXIH-ZWKOTPCHSA-N 2 2 372.460 0.429 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cn4ccncc4n3)C2)OCC1=O ZINC001275956681 1211317013 /nfs/dbraw/zinc/31/70/13/1211317013.db2.gz KOBRNRGGBWMMKS-SFHVURJKSA-N 2 2 358.446 0.094 20 0 FCADLP Cn1ncc2ccc(C[NH+]3CC4(C3)COCC(=O)N4CC[NH+](C)C)cc21 ZINC001276010360 1211324020 /nfs/dbraw/zinc/32/40/20/1211324020.db2.gz MDYOEVFGISUXBP-UHFFFAOYSA-N 2 2 357.458 0.548 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1cccc3nccnc13)C2 ZINC001276102147 1211354192 /nfs/dbraw/zinc/35/41/92/1211354192.db2.gz AUSVLCMFTWGYNQ-UHFFFAOYSA-N 2 2 355.442 0.605 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246398 1211391512 /nfs/dbraw/zinc/39/15/12/1211391512.db2.gz IFAUMQMIRJLDIA-QAPCUYQASA-N 2 2 364.446 0.243 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246398 1211391514 /nfs/dbraw/zinc/39/15/14/1211391514.db2.gz IFAUMQMIRJLDIA-QAPCUYQASA-N 2 2 364.446 0.243 20 0 FCADLP CC(C)CCC[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276258501 1211395659 /nfs/dbraw/zinc/39/56/59/1211395659.db2.gz CKHOOQKHNXNKRR-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCCC2)O1 ZINC001095610580 1211424901 /nfs/dbraw/zinc/42/49/01/1211424901.db2.gz QSAFBVFJILHCKC-UHDSXZAQSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCCC2)O1 ZINC001095610580 1211424902 /nfs/dbraw/zinc/42/49/02/1211424902.db2.gz QSAFBVFJILHCKC-UHDSXZAQSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCCC2)O1 ZINC001095610580 1211424904 /nfs/dbraw/zinc/42/49/04/1211424904.db2.gz QSAFBVFJILHCKC-UHDSXZAQSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCCC2)O1 ZINC001095610580 1211424907 /nfs/dbraw/zinc/42/49/07/1211424907.db2.gz QSAFBVFJILHCKC-UHDSXZAQSA-N 2 2 364.490 0.049 20 0 FCADLP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001095662614 1211439141 /nfs/dbraw/zinc/43/91/41/1211439141.db2.gz JGJLROHYQRNNKM-ZCPGHIKRSA-N 2 2 353.426 0.866 20 0 FCADLP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001095662614 1211439144 /nfs/dbraw/zinc/43/91/44/1211439144.db2.gz JGJLROHYQRNNKM-ZCPGHIKRSA-N 2 2 353.426 0.866 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946979193 1211465177 /nfs/dbraw/zinc/46/51/77/1211465177.db2.gz OZLLPMLIRNNLJZ-BZUAXINKSA-N 2 2 363.462 0.169 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946979193 1211465178 /nfs/dbraw/zinc/46/51/78/1211465178.db2.gz OZLLPMLIRNNLJZ-BZUAXINKSA-N 2 2 363.462 0.169 20 0 FCADLP C[NH+](C)C[C@H]1NC(=O)N(C2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1=O ZINC000924455504 1211470285 /nfs/dbraw/zinc/47/02/85/1211470285.db2.gz QOJMGJSCFJOLOZ-MRXNPFEDSA-N 2 2 373.457 0.572 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000924670529 1211476798 /nfs/dbraw/zinc/47/67/98/1211476798.db2.gz GTZWVFCOMZFVEM-UHFFFAOYSA-N 2 2 365.478 0.636 20 0 FCADLP CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000924714878 1211477956 /nfs/dbraw/zinc/47/79/56/1211477956.db2.gz CSJAAYUPRYNFAV-GOSISDBHSA-N 2 2 374.485 0.962 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnn(C)n1 ZINC000925395139 1211498227 /nfs/dbraw/zinc/49/82/27/1211498227.db2.gz DGYMNPKMWKHNBF-LSDHHAIUSA-N 2 2 372.477 0.761 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000925613188 1211504895 /nfs/dbraw/zinc/50/48/95/1211504895.db2.gz QKUOCGXBKFOFJE-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926050392 1211513899 /nfs/dbraw/zinc/51/38/99/1211513899.db2.gz MVGHJROTZFMELM-GOSISDBHSA-N 2 2 362.478 0.965 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000927634182 1211576925 /nfs/dbraw/zinc/57/69/25/1211576925.db2.gz FQSGEDDSFKDANY-MSOLQXFVSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000927634182 1211576935 /nfs/dbraw/zinc/57/69/35/1211576935.db2.gz FQSGEDDSFKDANY-MSOLQXFVSA-N 2 2 366.506 0.746 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941094 1211598105 /nfs/dbraw/zinc/59/81/05/1211598105.db2.gz ONXVINWLLPVHJO-NCOADZHNSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110941094 1211598107 /nfs/dbraw/zinc/59/81/07/1211598107.db2.gz ONXVINWLLPVHJO-NCOADZHNSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110941094 1211598109 /nfs/dbraw/zinc/59/81/09/1211598109.db2.gz ONXVINWLLPVHJO-NCOADZHNSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110941094 1211598112 /nfs/dbraw/zinc/59/81/12/1211598112.db2.gz ONXVINWLLPVHJO-NCOADZHNSA-N 2 2 366.506 0.342 20 0 FCADLP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000929157483 1211619742 /nfs/dbraw/zinc/61/97/42/1211619742.db2.gz VYVUYKTXMCHNNJ-FUHWJXTLSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000929157483 1211619745 /nfs/dbraw/zinc/61/97/45/1211619745.db2.gz VYVUYKTXMCHNNJ-FUHWJXTLSA-N 2 2 374.485 0.769 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1F ZINC000929697148 1211655773 /nfs/dbraw/zinc/65/57/73/1211655773.db2.gz UCDRKZCCTAIYOT-AWEZNQCLSA-N 2 2 359.405 0.756 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1F ZINC000929697148 1211655774 /nfs/dbraw/zinc/65/57/74/1211655774.db2.gz UCDRKZCCTAIYOT-AWEZNQCLSA-N 2 2 359.405 0.756 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000929863446 1211665635 /nfs/dbraw/zinc/66/56/35/1211665635.db2.gz LYWZKLZDJCCQBQ-AWEZNQCLSA-N 2 2 363.462 0.003 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110982505 1211692752 /nfs/dbraw/zinc/69/27/52/1211692752.db2.gz YUZGAJKWBZOVIQ-MCIONIFRSA-N 2 2 367.494 0.284 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110982505 1211692755 /nfs/dbraw/zinc/69/27/55/1211692755.db2.gz YUZGAJKWBZOVIQ-MCIONIFRSA-N 2 2 367.494 0.284 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCn4cccc4C3)C2)CC1 ZINC000930175624 1211693855 /nfs/dbraw/zinc/69/38/55/1211693855.db2.gz USPCNSSVVJMFMH-OAHLLOKOSA-N 2 2 359.474 0.115 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCn4cccc4C3)C2)CC1 ZINC000930175624 1211693858 /nfs/dbraw/zinc/69/38/58/1211693858.db2.gz USPCNSSVVJMFMH-OAHLLOKOSA-N 2 2 359.474 0.115 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCn4cccc4C3)C2)CC1 ZINC000930175611 1211694083 /nfs/dbraw/zinc/69/40/83/1211694083.db2.gz USPCNSSVVJMFMH-HNNXBMFYSA-N 2 2 359.474 0.115 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCn4cccc4C3)C2)CC1 ZINC000930175611 1211694085 /nfs/dbraw/zinc/69/40/85/1211694085.db2.gz USPCNSSVVJMFMH-HNNXBMFYSA-N 2 2 359.474 0.115 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000931607093 1211762676 /nfs/dbraw/zinc/76/26/76/1211762676.db2.gz CWUYELHJLJFJLD-CYBMUJFWSA-N 2 2 356.430 0.893 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030732 1211807391 /nfs/dbraw/zinc/80/73/91/1211807391.db2.gz ZLMTVSSLXHXKRF-KURKYZTESA-N 2 2 358.486 0.628 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030732 1211807392 /nfs/dbraw/zinc/80/73/92/1211807392.db2.gz ZLMTVSSLXHXKRF-KURKYZTESA-N 2 2 358.486 0.628 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111030732 1211807395 /nfs/dbraw/zinc/80/73/95/1211807395.db2.gz ZLMTVSSLXHXKRF-KURKYZTESA-N 2 2 358.486 0.628 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111030732 1211807397 /nfs/dbraw/zinc/80/73/97/1211807397.db2.gz ZLMTVSSLXHXKRF-KURKYZTESA-N 2 2 358.486 0.628 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCNC1=O ZINC001111030908 1211807923 /nfs/dbraw/zinc/80/79/23/1211807923.db2.gz JSGQEVKSLLEBBT-YRXWBPOGSA-N 2 2 370.497 0.771 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H]1CCNC1=O ZINC001111030908 1211807924 /nfs/dbraw/zinc/80/79/24/1211807924.db2.gz JSGQEVKSLLEBBT-YRXWBPOGSA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001111030908 1211807927 /nfs/dbraw/zinc/80/79/27/1211807927.db2.gz JSGQEVKSLLEBBT-YRXWBPOGSA-N 2 2 370.497 0.771 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001111030908 1211807928 /nfs/dbraw/zinc/80/79/28/1211807928.db2.gz JSGQEVKSLLEBBT-YRXWBPOGSA-N 2 2 370.497 0.771 20 0 FCADLP CC[N@H+](CCC(=O)NC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000933865959 1211850264 /nfs/dbraw/zinc/85/02/64/1211850264.db2.gz GAWUUKWTFZTRFI-UHFFFAOYSA-N 2 2 368.522 0.596 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000935107406 1211872518 /nfs/dbraw/zinc/87/25/18/1211872518.db2.gz OODLUILDZXENJS-MSOLQXFVSA-N 2 2 369.506 0.171 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000935107406 1211872520 /nfs/dbraw/zinc/87/25/20/1211872520.db2.gz OODLUILDZXENJS-MSOLQXFVSA-N 2 2 369.506 0.171 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935800463 1211884180 /nfs/dbraw/zinc/88/41/80/1211884180.db2.gz VIKNSAFQSUQUOK-UHFFFAOYSA-N 2 2 359.430 0.426 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151665 1211900937 /nfs/dbraw/zinc/90/09/37/1211900937.db2.gz GMDYZJQXYUUMBS-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001111151665 1211900941 /nfs/dbraw/zinc/90/09/41/1211900941.db2.gz GMDYZJQXYUUMBS-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111171779 1211911086 /nfs/dbraw/zinc/91/10/86/1211911086.db2.gz TYBIBZPBGNVGPM-HZMVEIRTSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111171779 1211911089 /nfs/dbraw/zinc/91/10/89/1211911089.db2.gz TYBIBZPBGNVGPM-HZMVEIRTSA-N 2 2 366.506 0.297 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188818 1211919316 /nfs/dbraw/zinc/91/93/16/1211919316.db2.gz HJTHIQSKFHJIHO-ZACQAIPSSA-N 2 2 368.441 0.739 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188818 1211919320 /nfs/dbraw/zinc/91/93/20/1211919320.db2.gz HJTHIQSKFHJIHO-ZACQAIPSSA-N 2 2 368.441 0.739 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198090 1211924077 /nfs/dbraw/zinc/92/40/77/1211924077.db2.gz HRQLOECSPTVJHX-OLMNPRSZSA-N 2 2 361.490 0.752 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198090 1211924081 /nfs/dbraw/zinc/92/40/81/1211924081.db2.gz HRQLOECSPTVJHX-OLMNPRSZSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCCN(C)c2ncnc3c2C[NH+](C)CC3)CC[N@@H+]1C ZINC001095757299 1211969833 /nfs/dbraw/zinc/96/98/33/1211969833.db2.gz AXCNGIVMPDVTBE-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCCN(C)c2ncnc3c2C[NH+](C)CC3)CC[N@H+]1C ZINC001095757299 1211969841 /nfs/dbraw/zinc/96/98/41/1211969841.db2.gz AXCNGIVMPDVTBE-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCCN(C)c2ncnc3c2C[N@H+](C)CC3)CC[NH+]1C ZINC001095757299 1211969855 /nfs/dbraw/zinc/96/98/55/1211969855.db2.gz AXCNGIVMPDVTBE-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCCN(C)c2ncnc3c2C[N@@H+](C)CC3)CC[NH+]1C ZINC001095757299 1211969864 /nfs/dbraw/zinc/96/98/64/1211969864.db2.gz AXCNGIVMPDVTBE-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP O=C(NC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000947513009 1212038700 /nfs/dbraw/zinc/03/87/00/1212038700.db2.gz CYGMTKMMEJCMAS-HUUCEWRRSA-N 2 2 357.458 0.716 20 0 FCADLP O=C(NC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000947513009 1212038703 /nfs/dbraw/zinc/03/87/03/1212038703.db2.gz CYGMTKMMEJCMAS-HUUCEWRRSA-N 2 2 357.458 0.716 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC000948381241 1212162126 /nfs/dbraw/zinc/16/21/26/1212162126.db2.gz JBQLVPRJZCMAGD-HRCADAONSA-N 2 2 363.510 0.753 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nnnn3C)CC2)CC[N@H+]1C ZINC000948381241 1212162129 /nfs/dbraw/zinc/16/21/29/1212162129.db2.gz JBQLVPRJZCMAGD-HRCADAONSA-N 2 2 363.510 0.753 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3nnnn3C)CC2)CC[NH+]1C ZINC000948381241 1212162131 /nfs/dbraw/zinc/16/21/31/1212162131.db2.gz JBQLVPRJZCMAGD-HRCADAONSA-N 2 2 363.510 0.753 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nnnn3C)CC2)CC[NH+]1C ZINC000948381241 1212162134 /nfs/dbraw/zinc/16/21/34/1212162134.db2.gz JBQLVPRJZCMAGD-HRCADAONSA-N 2 2 363.510 0.753 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510678 1225345641 /nfs/dbraw/zinc/34/56/41/1225345641.db2.gz CADMHLMIKFPMPE-IXDOHACOSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510678 1225345645 /nfs/dbraw/zinc/34/56/45/1225345645.db2.gz CADMHLMIKFPMPE-IXDOHACOSA-N 2 2 364.490 0.909 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000948465628 1212184697 /nfs/dbraw/zinc/18/46/97/1212184697.db2.gz SMCHZMBIVYNIAW-HZPDHXFCSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006901150 1212359694 /nfs/dbraw/zinc/35/96/94/1212359694.db2.gz YJRRJJQHQGAMAA-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001007370609 1212464748 /nfs/dbraw/zinc/46/47/48/1212464748.db2.gz YJIHDGYUEOBXDT-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001007370609 1212464753 /nfs/dbraw/zinc/46/47/53/1212464753.db2.gz YJIHDGYUEOBXDT-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001007370609 1212464757 /nfs/dbraw/zinc/46/47/57/1212464757.db2.gz YJIHDGYUEOBXDT-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)CC[NH+]1C ZINC001007370609 1212464763 /nfs/dbraw/zinc/46/47/63/1212464763.db2.gz YJIHDGYUEOBXDT-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]c[nH+]2)C3)C1 ZINC001007480228 1212502269 /nfs/dbraw/zinc/50/22/69/1212502269.db2.gz SJKJPUYWHWIZHK-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]c[nH+]2)C3)C1 ZINC001007480228 1212502272 /nfs/dbraw/zinc/50/22/72/1212502272.db2.gz SJKJPUYWHWIZHK-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH+]c[nH]2)C3)C1 ZINC001007480228 1212502275 /nfs/dbraw/zinc/50/22/75/1212502275.db2.gz SJKJPUYWHWIZHK-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH+]c[nH]2)C3)C1 ZINC001007480228 1212502276 /nfs/dbraw/zinc/50/22/76/1212502276.db2.gz SJKJPUYWHWIZHK-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001007483530 1212504944 /nfs/dbraw/zinc/50/49/44/1212504944.db2.gz IDPBIYNPWUCDEE-LPHOPBHVSA-N 2 2 370.457 0.894 20 0 FCADLP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007618754 1212538822 /nfs/dbraw/zinc/53/88/22/1212538822.db2.gz NJFIOXKIYBCVLP-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001007618754 1212538829 /nfs/dbraw/zinc/53/88/29/1212538829.db2.gz NJFIOXKIYBCVLP-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007618754 1212538836 /nfs/dbraw/zinc/53/88/36/1212538836.db2.gz NJFIOXKIYBCVLP-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001007618754 1212538843 /nfs/dbraw/zinc/53/88/43/1212538843.db2.gz NJFIOXKIYBCVLP-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001006455627 1212550231 /nfs/dbraw/zinc/55/02/31/1212550231.db2.gz IZBYTEMEVWAZDH-NUEKZKHPSA-N 2 2 371.485 0.583 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000950606248 1212605638 /nfs/dbraw/zinc/60/56/38/1212605638.db2.gz VAIIYGWIVYPRNT-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP O=C(NC[C@H]1CCN1C(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000950767674 1212659210 /nfs/dbraw/zinc/65/92/10/1212659210.db2.gz JFGXZRHLZADCTN-RBSFLKMASA-N 2 2 357.458 0.859 20 0 FCADLP O=C(NC[C@H]1CCN1C(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000950767674 1212659212 /nfs/dbraw/zinc/65/92/12/1212659212.db2.gz JFGXZRHLZADCTN-RBSFLKMASA-N 2 2 357.458 0.859 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000950803216 1212680213 /nfs/dbraw/zinc/68/02/13/1212680213.db2.gz RMTHDTOAPWBVPF-QGPMSJSTSA-N 2 2 359.474 0.721 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000950875692 1212700546 /nfs/dbraw/zinc/70/05/46/1212700546.db2.gz PLNJRIWLUZBGPK-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000950878868 1212701095 /nfs/dbraw/zinc/70/10/95/1212701095.db2.gz ZCTOGSOMGSXJLS-ARFHVFGLSA-N 2 2 370.457 0.836 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603390 1225392144 /nfs/dbraw/zinc/39/21/44/1225392144.db2.gz HCUJGUMXPRRCBT-BPQIPLTHSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603390 1225392152 /nfs/dbraw/zinc/39/21/52/1225392152.db2.gz HCUJGUMXPRRCBT-BPQIPLTHSA-N 2 2 364.490 0.909 20 0 FCADLP CCOCCNC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779646290 1212802184 /nfs/dbraw/zinc/80/21/84/1212802184.db2.gz MOFWSTNLYPFSEE-INIZCTEOSA-N 2 2 364.446 0.539 20 0 FCADLP CCOCCNC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779646290 1212802186 /nfs/dbraw/zinc/80/21/86/1212802186.db2.gz MOFWSTNLYPFSEE-INIZCTEOSA-N 2 2 364.446 0.539 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620660 1225401674 /nfs/dbraw/zinc/40/16/74/1225401674.db2.gz RGPANLYZZVMBCM-QGPMSJSTSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620660 1225401679 /nfs/dbraw/zinc/40/16/79/1225401679.db2.gz RGPANLYZZVMBCM-QGPMSJSTSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620660 1225401682 /nfs/dbraw/zinc/40/16/82/1225401682.db2.gz RGPANLYZZVMBCM-QGPMSJSTSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620660 1225401686 /nfs/dbraw/zinc/40/16/86/1225401686.db2.gz RGPANLYZZVMBCM-QGPMSJSTSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000951781227 1212876472 /nfs/dbraw/zinc/87/64/72/1212876472.db2.gz MNGJBEKRZBENMW-CZUORRHYSA-N 2 2 352.398 0.808 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000952062805 1212897450 /nfs/dbraw/zinc/89/74/50/1212897450.db2.gz NRVQPFMGLKJCDM-ARFHVFGLSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000952062612 1212897630 /nfs/dbraw/zinc/89/76/30/1212897630.db2.gz IYQCOOABSWRAIM-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C12CCC[NH+]1CCC2 ZINC000952173582 1212919672 /nfs/dbraw/zinc/91/96/72/1212919672.db2.gz YYVJQUFQZHUXHD-ARFHVFGLSA-N 2 2 371.485 0.869 20 0 FCADLP Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411512 1212995669 /nfs/dbraw/zinc/99/56/69/1212995669.db2.gz QGOCOEQTBHPBSZ-WFEDQXDTSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411512 1212995672 /nfs/dbraw/zinc/99/56/72/1212995672.db2.gz QGOCOEQTBHPBSZ-WFEDQXDTSA-N 2 2 373.501 0.975 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnn(C)c1 ZINC001111411732 1213008030 /nfs/dbraw/zinc/00/80/30/1213008030.db2.gz UNXXZIHKUBSDEQ-HPBDAGMYSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnn(C)c1 ZINC001111411732 1213008034 /nfs/dbraw/zinc/00/80/34/1213008034.db2.gz UNXXZIHKUBSDEQ-HPBDAGMYSA-N 2 2 361.490 0.610 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000954047992 1213036029 /nfs/dbraw/zinc/03/60/29/1213036029.db2.gz YONSCWUXBBZDFT-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000954047992 1213036032 /nfs/dbraw/zinc/03/60/32/1213036032.db2.gz YONSCWUXBBZDFT-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000954047992 1213036038 /nfs/dbraw/zinc/03/60/38/1213036038.db2.gz YONSCWUXBBZDFT-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000954047992 1213036046 /nfs/dbraw/zinc/03/60/46/1213036046.db2.gz YONSCWUXBBZDFT-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221655893 1225420123 /nfs/dbraw/zinc/42/01/23/1225420123.db2.gz BDPMYKRCCCBFFM-JFIYKMOQSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221655893 1225420127 /nfs/dbraw/zinc/42/01/27/1225420127.db2.gz BDPMYKRCCCBFFM-JFIYKMOQSA-N 2 2 362.474 0.641 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC[N@@H+]1C ZINC000954598568 1213085089 /nfs/dbraw/zinc/08/50/89/1213085089.db2.gz DIXIOTYNCZIQJG-JKIFEVAISA-N 2 2 359.474 0.455 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC[N@H+]1C ZINC000954598568 1213085095 /nfs/dbraw/zinc/08/50/95/1213085095.db2.gz DIXIOTYNCZIQJG-JKIFEVAISA-N 2 2 359.474 0.455 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000956378502 1213188448 /nfs/dbraw/zinc/18/84/48/1213188448.db2.gz MDMSOCYAKQNFIB-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000956378502 1213188450 /nfs/dbraw/zinc/18/84/50/1213188450.db2.gz MDMSOCYAKQNFIB-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000956378502 1213188454 /nfs/dbraw/zinc/18/84/54/1213188454.db2.gz MDMSOCYAKQNFIB-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000956378502 1213188455 /nfs/dbraw/zinc/18/84/55/1213188455.db2.gz MDMSOCYAKQNFIB-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000957166316 1213272217 /nfs/dbraw/zinc/27/22/17/1213272217.db2.gz MIAJOSXQBKPLEL-CLCXKQKWSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000957166316 1213272222 /nfs/dbraw/zinc/27/22/22/1213272222.db2.gz MIAJOSXQBKPLEL-CLCXKQKWSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000957223515 1213276421 /nfs/dbraw/zinc/27/64/21/1213276421.db2.gz UCSFKNBHEODMSP-LBTNJELSSA-N 2 2 357.458 0.716 20 0 FCADLP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000957223515 1213276428 /nfs/dbraw/zinc/27/64/28/1213276428.db2.gz UCSFKNBHEODMSP-LBTNJELSSA-N 2 2 357.458 0.716 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000957351764 1213292958 /nfs/dbraw/zinc/29/29/58/1213292958.db2.gz VXWKWJAPDQBBQC-HZPDHXFCSA-N 2 2 359.474 0.865 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000958169120 1213386711 /nfs/dbraw/zinc/38/67/11/1213386711.db2.gz HSTVZOZKEJFWFE-NVXWUHKLSA-N 2 2 361.490 0.658 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001221693015 1225446025 /nfs/dbraw/zinc/44/60/25/1225446025.db2.gz XKHAJQHVUHIFAU-HZPDHXFCSA-N 2 2 361.490 0.887 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001221693015 1225446027 /nfs/dbraw/zinc/44/60/27/1225446027.db2.gz XKHAJQHVUHIFAU-HZPDHXFCSA-N 2 2 361.490 0.887 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710719 1225452125 /nfs/dbraw/zinc/45/21/25/1225452125.db2.gz GAMYDNFZNWDPDG-LMMKCTJWSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710719 1225452131 /nfs/dbraw/zinc/45/21/31/1225452131.db2.gz GAMYDNFZNWDPDG-LMMKCTJWSA-N 2 2 362.518 0.872 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710730 1225452725 /nfs/dbraw/zinc/45/27/25/1225452725.db2.gz GKYGMOCLFXKVDC-ZHALLVOQSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710730 1225452729 /nfs/dbraw/zinc/45/27/29/1225452729.db2.gz GKYGMOCLFXKVDC-ZHALLVOQSA-N 2 2 362.518 0.918 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763825 1225471758 /nfs/dbraw/zinc/47/17/58/1225471758.db2.gz GUHYUHJVAGZOFH-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763825 1225471763 /nfs/dbraw/zinc/47/17/63/1225471763.db2.gz GUHYUHJVAGZOFH-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763825 1225471767 /nfs/dbraw/zinc/47/17/67/1225471767.db2.gz GUHYUHJVAGZOFH-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763825 1225471771 /nfs/dbraw/zinc/47/17/71/1225471771.db2.gz GUHYUHJVAGZOFH-ZACQAIPSSA-N 2 2 366.506 0.155 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(N)=O ZINC000960307251 1213706196 /nfs/dbraw/zinc/70/61/96/1213706196.db2.gz LYZWZOHRHPLSMP-ATNYBXOESA-N 2 2 353.426 0.381 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001221773840 1225477399 /nfs/dbraw/zinc/47/73/99/1225477399.db2.gz GZRFHFRZRCMILA-NVXWUHKLSA-N 2 2 362.474 0.770 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001221773840 1225477403 /nfs/dbraw/zinc/47/74/03/1225477403.db2.gz GZRFHFRZRCMILA-NVXWUHKLSA-N 2 2 362.474 0.770 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001221791636 1225483021 /nfs/dbraw/zinc/48/30/21/1225483021.db2.gz VYGBANZJUMTNMD-BZUAXINKSA-N 2 2 362.474 0.941 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001221791636 1225483024 /nfs/dbraw/zinc/48/30/24/1225483024.db2.gz VYGBANZJUMTNMD-BZUAXINKSA-N 2 2 362.474 0.941 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC000960642188 1213867196 /nfs/dbraw/zinc/86/71/96/1213867196.db2.gz HNUNUPWBOLMZMV-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC000960642188 1213867199 /nfs/dbraw/zinc/86/71/99/1213867199.db2.gz HNUNUPWBOLMZMV-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC000960642188 1213867205 /nfs/dbraw/zinc/86/72/05/1213867205.db2.gz HNUNUPWBOLMZMV-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC000960642188 1213867209 /nfs/dbraw/zinc/86/72/09/1213867209.db2.gz HNUNUPWBOLMZMV-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001011319261 1213867448 /nfs/dbraw/zinc/86/74/48/1213867448.db2.gz HWYQLDXMPBFDMC-HUUCEWRRSA-N 2 2 357.458 0.812 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001011319261 1213867453 /nfs/dbraw/zinc/86/74/53/1213867453.db2.gz HWYQLDXMPBFDMC-HUUCEWRRSA-N 2 2 357.458 0.812 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001016578137 1214021032 /nfs/dbraw/zinc/02/10/32/1214021032.db2.gz RZPGCBCCQLSNDG-YQEWQEHLSA-N 2 2 361.490 0.799 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001016578137 1214021038 /nfs/dbraw/zinc/02/10/38/1214021038.db2.gz RZPGCBCCQLSNDG-YQEWQEHLSA-N 2 2 361.490 0.799 20 0 FCADLP Cc1nnc(C[NH+]2CCC3(C[C@H]3NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001016685766 1214035871 /nfs/dbraw/zinc/03/58/71/1214035871.db2.gz REEWMGTUHSDPEG-BPLDGKMQSA-N 2 2 363.462 0.568 20 0 FCADLP Cc1nnc(C[NH+]2CCC3(C[C@H]3NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001016685766 1214035878 /nfs/dbraw/zinc/03/58/78/1214035878.db2.gz REEWMGTUHSDPEG-BPLDGKMQSA-N 2 2 363.462 0.568 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC001016832462 1214050961 /nfs/dbraw/zinc/05/09/61/1214050961.db2.gz BJJRKAPZMIOIOM-BFYDXBDKSA-N 2 2 371.485 0.727 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001095931922 1214149653 /nfs/dbraw/zinc/14/96/53/1214149653.db2.gz VKKPOTFMYQPKHU-UGUYLWEFSA-N 2 2 360.458 0.955 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001095931922 1214149658 /nfs/dbraw/zinc/14/96/58/1214149658.db2.gz VKKPOTFMYQPKHU-UGUYLWEFSA-N 2 2 360.458 0.955 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001019038542 1214183653 /nfs/dbraw/zinc/18/36/53/1214183653.db2.gz UXWTVNLFKOYPCF-BZUAXINKSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001019038542 1214183654 /nfs/dbraw/zinc/18/36/54/1214183654.db2.gz UXWTVNLFKOYPCF-BZUAXINKSA-N 2 2 371.485 0.536 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)CC[N@@H+]1C ZINC001019069534 1214189281 /nfs/dbraw/zinc/18/92/81/1214189281.db2.gz UZGMJQCZVCHUAY-KLHDSHLOSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)CC[N@H+]1C ZINC001019069534 1214189284 /nfs/dbraw/zinc/18/92/84/1214189284.db2.gz UZGMJQCZVCHUAY-KLHDSHLOSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)CC[N@@H+]1C ZINC001019069534 1214189289 /nfs/dbraw/zinc/18/92/89/1214189289.db2.gz UZGMJQCZVCHUAY-KLHDSHLOSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)CC[N@H+]1C ZINC001019069534 1214189294 /nfs/dbraw/zinc/18/92/94/1214189294.db2.gz UZGMJQCZVCHUAY-KLHDSHLOSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)C1 ZINC001019147761 1214204111 /nfs/dbraw/zinc/20/41/11/1214204111.db2.gz DHZIMBWMKNHETH-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)C1 ZINC001019147761 1214204120 /nfs/dbraw/zinc/20/41/20/1214204120.db2.gz DHZIMBWMKNHETH-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)CC[N@@H+]1C ZINC001019494351 1214258993 /nfs/dbraw/zinc/25/89/93/1214258993.db2.gz IFAAFNQFWXMGKS-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)CC[N@H+]1C ZINC001019494351 1214259005 /nfs/dbraw/zinc/25/90/05/1214259005.db2.gz IFAAFNQFWXMGKS-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221873435 1225516582 /nfs/dbraw/zinc/51/65/82/1225516582.db2.gz ZRONSZFXDAPRHJ-IXDOHACOSA-N 2 2 359.474 0.735 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001221873435 1225516588 /nfs/dbraw/zinc/51/65/88/1225516588.db2.gz ZRONSZFXDAPRHJ-IXDOHACOSA-N 2 2 359.474 0.735 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020166229 1214315708 /nfs/dbraw/zinc/31/57/08/1214315708.db2.gz UXCASMYAZDDVPW-QBPKDAKJSA-N 2 2 371.485 0.623 20 0 FCADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1)C(N)=O ZINC001020166092 1214315830 /nfs/dbraw/zinc/31/58/30/1214315830.db2.gz OIBXGKLQECJLIM-QCODTGAPSA-N 2 2 359.474 0.655 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287695 1214329819 /nfs/dbraw/zinc/32/98/19/1214329819.db2.gz GZKQGORLBKQBQG-DHGKCCLASA-N 2 2 367.450 0.233 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287695 1214329826 /nfs/dbraw/zinc/32/98/26/1214329826.db2.gz GZKQGORLBKQBQG-DHGKCCLASA-N 2 2 367.450 0.233 20 0 FCADLP Cn1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC000961944430 1214370547 /nfs/dbraw/zinc/37/05/47/1214370547.db2.gz IGWZUXRFEUNIBD-QDIHITRGSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC000961944430 1214370552 /nfs/dbraw/zinc/37/05/52/1214370552.db2.gz IGWZUXRFEUNIBD-QDIHITRGSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000962323583 1214534092 /nfs/dbraw/zinc/53/40/92/1214534092.db2.gz KQCUBERGVWIPBB-BHUNQDJPSA-N 2 2 369.469 0.907 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000962428206 1214563135 /nfs/dbraw/zinc/56/31/35/1214563135.db2.gz ZSQNOKSFQIYJRF-JJTUDDRGSA-N 2 2 371.485 0.535 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000962428206 1214563140 /nfs/dbraw/zinc/56/31/40/1214563140.db2.gz ZSQNOKSFQIYJRF-JJTUDDRGSA-N 2 2 371.485 0.535 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)cc(C)[nH+]1 ZINC001041065327 1214684922 /nfs/dbraw/zinc/68/49/22/1214684922.db2.gz PZAZBPWGQZFTEA-OWCLPIDISA-N 2 2 361.490 0.888 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)cc(C)[nH+]1 ZINC001041065327 1214684929 /nfs/dbraw/zinc/68/49/29/1214684929.db2.gz PZAZBPWGQZFTEA-OWCLPIDISA-N 2 2 361.490 0.888 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000963149539 1214750611 /nfs/dbraw/zinc/75/06/11/1214750611.db2.gz DHGDPRZZRJUIQA-DZUCGIPZSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000963149539 1214750614 /nfs/dbraw/zinc/75/06/14/1214750614.db2.gz DHGDPRZZRJUIQA-DZUCGIPZSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(NC1CC2(C1)CC([NH2+]CCn1cncn1)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000964016651 1214887123 /nfs/dbraw/zinc/88/71/23/1214887123.db2.gz PQQSSBSHIRMEPC-BSGOTLCWSA-N 2 2 355.446 0.822 20 0 FCADLP O=C(NC1CC2(C1)CC([NH2+]CCn1cncn1)C2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000964016651 1214887127 /nfs/dbraw/zinc/88/71/27/1214887127.db2.gz PQQSSBSHIRMEPC-BSGOTLCWSA-N 2 2 355.446 0.822 20 0 FCADLP O=C(NC1CC2(C1)CC([NH2+]CCF)C2)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000964485742 1214968364 /nfs/dbraw/zinc/96/83/64/1214968364.db2.gz CSFFXVLUMQHBFE-VIIJNVHASA-N 2 2 369.481 0.853 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC000964935907 1215007049 /nfs/dbraw/zinc/00/70/49/1215007049.db2.gz QXTNUUAGCLSDRU-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC000964935907 1215007052 /nfs/dbraw/zinc/00/70/52/1215007052.db2.gz QXTNUUAGCLSDRU-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@@H+]1C ZINC000964946916 1215008519 /nfs/dbraw/zinc/00/85/19/1215008519.db2.gz SDMPMSHDYVVKFB-RBSFLKMASA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@H+]1C ZINC000964946916 1215008522 /nfs/dbraw/zinc/00/85/22/1215008522.db2.gz SDMPMSHDYVVKFB-RBSFLKMASA-N 2 2 359.474 0.790 20 0 FCADLP CC[C@H]([NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1)C(N)=O ZINC000965159223 1215026757 /nfs/dbraw/zinc/02/67/57/1215026757.db2.gz ASGGEFOTDUCOHC-QXZDORHBSA-N 2 2 359.474 0.805 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018094 1225577618 /nfs/dbraw/zinc/57/76/18/1225577618.db2.gz MLQAKOVSZPUMKO-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018094 1225577621 /nfs/dbraw/zinc/57/76/21/1225577621.db2.gz MLQAKOVSZPUMKO-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001222050694 1225591330 /nfs/dbraw/zinc/59/13/30/1225591330.db2.gz CWALNBMHSAXCTG-KZNAEPCWSA-N 2 2 362.518 0.920 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001222050694 1225591336 /nfs/dbraw/zinc/59/13/36/1225591336.db2.gz CWALNBMHSAXCTG-KZNAEPCWSA-N 2 2 362.518 0.920 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001222050694 1225591341 /nfs/dbraw/zinc/59/13/41/1225591341.db2.gz CWALNBMHSAXCTG-KZNAEPCWSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055618550 1215891377 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/nfs/dbraw/zinc/96/95/95/1217969595.db2.gz ZDEGCOIKGQNNPH-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000900602736 1218011294 /nfs/dbraw/zinc/01/12/94/1218011294.db2.gz RUEPLBLPTATHJL-OALUTQOASA-N 2 2 366.550 0.850 20 0 FCADLP CC[C@@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900604566 1218011511 /nfs/dbraw/zinc/01/15/11/1218011511.db2.gz CYDYDAVFCGIHES-NVXWUHKLSA-N 2 2 368.522 0.090 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000900616847 1218014043 /nfs/dbraw/zinc/01/40/43/1218014043.db2.gz RUZVFMRFBFQCTH-MRXNPFEDSA-N 2 2 374.489 0.266 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693583 1218025169 /nfs/dbraw/zinc/02/51/69/1218025169.db2.gz XIQLAXQDFBUAPM-IAGOWNOFSA-N 2 2 368.522 0.261 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693583 1218025176 /nfs/dbraw/zinc/02/51/76/1218025176.db2.gz XIQLAXQDFBUAPM-IAGOWNOFSA-N 2 2 368.522 0.261 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NCCC[N@@H+]2CCCN(C)CC2)CC1 ZINC000900697829 1218026576 /nfs/dbraw/zinc/02/65/76/1218026576.db2.gz DIVYEYIAIBEWFI-UHFFFAOYSA-N 2 2 367.582 0.936 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)NCCC[N@H+]2CCCN(C)CC2)CC1 ZINC000900697829 1218026579 /nfs/dbraw/zinc/02/65/79/1218026579.db2.gz DIVYEYIAIBEWFI-UHFFFAOYSA-N 2 2 367.582 0.936 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900747534 1218033582 /nfs/dbraw/zinc/03/35/82/1218033582.db2.gz RJPUMELILNWNPZ-MDZRGWNJSA-N 2 2 361.490 0.163 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900747534 1218033587 /nfs/dbraw/zinc/03/35/87/1218033587.db2.gz RJPUMELILNWNPZ-MDZRGWNJSA-N 2 2 361.490 0.163 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047415545 1218141142 /nfs/dbraw/zinc/14/11/42/1218141142.db2.gz FHCRIIBVSJPPOS-LMSBXDPUSA-N 2 2 362.474 0.833 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047415545 1218141148 /nfs/dbraw/zinc/14/11/48/1218141148.db2.gz FHCRIIBVSJPPOS-LMSBXDPUSA-N 2 2 362.474 0.833 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047415545 1218141152 /nfs/dbraw/zinc/14/11/52/1218141152.db2.gz FHCRIIBVSJPPOS-LMSBXDPUSA-N 2 2 362.474 0.833 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047415545 1218141155 /nfs/dbraw/zinc/14/11/55/1218141155.db2.gz FHCRIIBVSJPPOS-LMSBXDPUSA-N 2 2 362.474 0.833 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249313 1218185928 /nfs/dbraw/zinc/18/59/28/1218185928.db2.gz VVGQRZORFYLYRG-MWNCTCPHSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249313 1218185931 /nfs/dbraw/zinc/18/59/31/1218185931.db2.gz VVGQRZORFYLYRG-MWNCTCPHSA-N 2 2 354.414 0.476 20 0 FCADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OC[C@@H]1CNC(=O)C1 ZINC000902249929 1218233314 /nfs/dbraw/zinc/23/33/14/1218233314.db2.gz QINJZFXYQXMQAG-KRWDZBQOSA-N 2 2 359.474 0.829 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3nccc(C)n3)CC2)CC[N@@H+]1C ZINC001096307799 1218233938 /nfs/dbraw/zinc/23/39/38/1218233938.db2.gz LPXXUTLLEYPDEK-DLBZAZTESA-N 2 2 360.506 0.754 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3nccc(C)n3)CC2)CC[N@H+]1C ZINC001096307799 1218233939 /nfs/dbraw/zinc/23/39/39/1218233939.db2.gz LPXXUTLLEYPDEK-DLBZAZTESA-N 2 2 360.506 0.754 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001096349839 1218259137 /nfs/dbraw/zinc/25/91/37/1218259137.db2.gz JNTMESRYLMDAGJ-FSDCSDTHSA-N 2 2 359.474 0.600 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001096349839 1218259145 /nfs/dbraw/zinc/25/91/45/1218259145.db2.gz JNTMESRYLMDAGJ-FSDCSDTHSA-N 2 2 359.474 0.600 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001096364671 1218268342 /nfs/dbraw/zinc/26/83/42/1218268342.db2.gz VRQLBYITINUCPE-KMFMINBZSA-N 2 2 372.473 0.508 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096364671 1218268349 /nfs/dbraw/zinc/26/83/49/1218268349.db2.gz VRQLBYITINUCPE-KMFMINBZSA-N 2 2 372.473 0.508 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001048535653 1218282801 /nfs/dbraw/zinc/28/28/01/1218282801.db2.gz RRMVFUUZPFOJRM-HJZPKHDNSA-N 2 2 357.458 0.761 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001048535653 1218282806 /nfs/dbraw/zinc/28/28/06/1218282806.db2.gz RRMVFUUZPFOJRM-HJZPKHDNSA-N 2 2 357.458 0.761 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001048535653 1218282811 /nfs/dbraw/zinc/28/28/11/1218282811.db2.gz RRMVFUUZPFOJRM-HJZPKHDNSA-N 2 2 357.458 0.761 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001048535653 1218282818 /nfs/dbraw/zinc/28/28/18/1218282818.db2.gz RRMVFUUZPFOJRM-HJZPKHDNSA-N 2 2 357.458 0.761 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cn(C)nn1 ZINC000902865346 1218319880 /nfs/dbraw/zinc/31/98/80/1218319880.db2.gz JYKKAJHNIZWYMK-CABCVRRESA-N 2 2 372.477 0.761 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872833 1218333410 /nfs/dbraw/zinc/33/34/10/1218333410.db2.gz HMDDVYFEOXOSLI-ZHCJQAHYSA-N 2 2 370.457 0.161 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872833 1218333415 /nfs/dbraw/zinc/33/34/15/1218333415.db2.gz HMDDVYFEOXOSLI-ZHCJQAHYSA-N 2 2 370.457 0.161 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872833 1218333419 /nfs/dbraw/zinc/33/34/19/1218333419.db2.gz HMDDVYFEOXOSLI-ZHCJQAHYSA-N 2 2 370.457 0.161 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872833 1218333426 /nfs/dbraw/zinc/33/34/26/1218333426.db2.gz HMDDVYFEOXOSLI-ZHCJQAHYSA-N 2 2 370.457 0.161 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873594 1218333526 /nfs/dbraw/zinc/33/35/26/1218333526.db2.gz RSAMLRWQRJDDOP-FIDHJVLJSA-N 2 2 371.485 0.820 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873594 1218333531 /nfs/dbraw/zinc/33/35/31/1218333531.db2.gz RSAMLRWQRJDDOP-FIDHJVLJSA-N 2 2 371.485 0.820 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873594 1218333533 /nfs/dbraw/zinc/33/35/33/1218333533.db2.gz RSAMLRWQRJDDOP-FIDHJVLJSA-N 2 2 371.485 0.820 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873594 1218333541 /nfs/dbraw/zinc/33/35/41/1218333541.db2.gz RSAMLRWQRJDDOP-FIDHJVLJSA-N 2 2 371.485 0.820 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067861 1218374997 /nfs/dbraw/zinc/37/49/97/1218374997.db2.gz AOOWYDYQYMSDMD-AALSBFMBSA-N 2 2 359.474 0.391 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067861 1218375002 /nfs/dbraw/zinc/37/50/02/1218375002.db2.gz AOOWYDYQYMSDMD-AALSBFMBSA-N 2 2 359.474 0.391 20 0 FCADLP Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@@H]4C[NH2+]C[C@H]4C)CC3)C2=O)n(C)n1 ZINC000903457550 1218416718 /nfs/dbraw/zinc/41/67/18/1218416718.db2.gz WTGNBDZOBNDFKD-BPQIPLTHSA-N 2 2 374.533 0.697 20 0 FCADLP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001096545709 1218484001 /nfs/dbraw/zinc/48/40/01/1218484001.db2.gz LVUILDJEEDMUKN-YVSFHVDLSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001096545709 1218484006 /nfs/dbraw/zinc/48/40/06/1218484006.db2.gz LVUILDJEEDMUKN-YVSFHVDLSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001096545708 1218485447 /nfs/dbraw/zinc/48/54/47/1218485447.db2.gz LVUILDJEEDMUKN-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001096545708 1218485454 /nfs/dbraw/zinc/48/54/54/1218485454.db2.gz LVUILDJEEDMUKN-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739428 1218542422 /nfs/dbraw/zinc/54/24/22/1218542422.db2.gz YXJJZBFOJHINPM-KLHDSHLOSA-N 2 2 359.474 0.677 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739428 1218542426 /nfs/dbraw/zinc/54/24/26/1218542426.db2.gz YXJJZBFOJHINPM-KLHDSHLOSA-N 2 2 359.474 0.677 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225962011 1225829657 /nfs/dbraw/zinc/82/96/57/1225829657.db2.gz UPDHHSLSOLCXPI-ARFHVFGLSA-N 2 2 368.478 0.383 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001225969627 1225829734 /nfs/dbraw/zinc/82/97/34/1225829734.db2.gz OBNBXMPCMSDOJM-BZUAXINKSA-N 2 2 360.462 0.617 20 0 FCADLP CN(C)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)ccn1 ZINC001096911881 1218637678 /nfs/dbraw/zinc/63/76/78/1218637678.db2.gz QJIDXIGZBBRPFS-BDXSIMOUSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)ccn1 ZINC001096911881 1218637681 /nfs/dbraw/zinc/63/76/81/1218637681.db2.gz QJIDXIGZBBRPFS-BDXSIMOUSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)ccn1 ZINC001096911881 1218637683 /nfs/dbraw/zinc/63/76/83/1218637683.db2.gz QJIDXIGZBBRPFS-BDXSIMOUSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)ccn1 ZINC001096911881 1218637686 /nfs/dbraw/zinc/63/76/86/1218637686.db2.gz QJIDXIGZBBRPFS-BDXSIMOUSA-N 2 2 373.501 0.700 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(O[C@@H]3CCOC3)CC1)C2=O ZINC000748263590 1218683397 /nfs/dbraw/zinc/68/33/97/1218683397.db2.gz CJYWOJGVOHDRCV-OAHLLOKOSA-N 2 2 366.462 0.230 20 0 FCADLP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001097113724 1218693173 /nfs/dbraw/zinc/69/31/73/1218693173.db2.gz ZFMCVJOFTXLYBE-NCOADZHNSA-N 2 2 371.485 0.714 20 0 FCADLP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001097113724 1218693180 /nfs/dbraw/zinc/69/31/80/1218693180.db2.gz ZFMCVJOFTXLYBE-NCOADZHNSA-N 2 2 371.485 0.714 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@H]1CCCc2[nH+]ccn21 ZINC001097220047 1218725572 /nfs/dbraw/zinc/72/55/72/1218725572.db2.gz QZAYBDPYZZZOSD-LVQVYYBASA-N 2 2 372.473 0.507 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@H]1CCCc2[nH+]ccn21 ZINC001097220047 1218725578 /nfs/dbraw/zinc/72/55/78/1218725578.db2.gz QZAYBDPYZZZOSD-LVQVYYBASA-N 2 2 372.473 0.507 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N1CCC1)C2 ZINC001097845276 1218850561 /nfs/dbraw/zinc/85/05/61/1218850561.db2.gz DLZSWZNVRXLBOD-AHCXZYCDSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N1CCC1)C2 ZINC001097845276 1218850564 /nfs/dbraw/zinc/85/05/64/1218850564.db2.gz DLZSWZNVRXLBOD-AHCXZYCDSA-N 2 2 371.485 0.708 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736752 1218862210 /nfs/dbraw/zinc/86/22/10/1218862210.db2.gz RJNUBSXBTNSFTL-BZUAXINKSA-N 2 2 369.473 0.958 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736752 1218862211 /nfs/dbraw/zinc/86/22/11/1218862211.db2.gz RJNUBSXBTNSFTL-BZUAXINKSA-N 2 2 369.473 0.958 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001052741303 1218862757 /nfs/dbraw/zinc/86/27/57/1218862757.db2.gz JASQUPGBCSXUKK-HUUCEWRRSA-N 2 2 366.429 0.822 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001097878755 1218869170 /nfs/dbraw/zinc/86/91/70/1218869170.db2.gz QHXHMIFNWMWLAV-QCODTGAPSA-N 2 2 372.473 0.270 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001097878755 1218869173 /nfs/dbraw/zinc/86/91/73/1218869173.db2.gz QHXHMIFNWMWLAV-QCODTGAPSA-N 2 2 372.473 0.270 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696799 1225852550 /nfs/dbraw/zinc/85/25/50/1225852550.db2.gz NPUSNYQPTYSIFT-IACUBPJLSA-N 2 2 364.450 0.203 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696799 1225852551 /nfs/dbraw/zinc/85/25/51/1225852551.db2.gz NPUSNYQPTYSIFT-IACUBPJLSA-N 2 2 364.450 0.203 20 0 FCADLP COCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043728 1218898208 /nfs/dbraw/zinc/89/82/08/1218898208.db2.gz IAFZYKAKIAUSOL-AYOQOUSVSA-N 2 2 361.486 0.895 20 0 FCADLP COCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043728 1218898209 /nfs/dbraw/zinc/89/82/09/1218898209.db2.gz IAFZYKAKIAUSOL-AYOQOUSVSA-N 2 2 361.486 0.895 20 0 FCADLP COCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001054043728 1218898210 /nfs/dbraw/zinc/89/82/10/1218898210.db2.gz IAFZYKAKIAUSOL-AYOQOUSVSA-N 2 2 361.486 0.895 20 0 FCADLP COCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001054043728 1218898211 /nfs/dbraw/zinc/89/82/11/1218898211.db2.gz IAFZYKAKIAUSOL-AYOQOUSVSA-N 2 2 361.486 0.895 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2Cc3ccccc3C[NH+]2CCCO)O1 ZINC001054043971 1218898253 /nfs/dbraw/zinc/89/82/53/1218898253.db2.gz PKQZSHDRQMYZBW-ATZDWAIDSA-N 2 2 361.486 0.631 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2Cc3ccccc3C[NH+]2CCCO)O1 ZINC001054043971 1218898255 /nfs/dbraw/zinc/89/82/55/1218898255.db2.gz PKQZSHDRQMYZBW-ATZDWAIDSA-N 2 2 361.486 0.631 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2CCCO)O1 ZINC001054043971 1218898256 /nfs/dbraw/zinc/89/82/56/1218898256.db2.gz PKQZSHDRQMYZBW-ATZDWAIDSA-N 2 2 361.486 0.631 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2Cc3ccccc3C[N@H+]2CCCO)O1 ZINC001054043971 1218898257 /nfs/dbraw/zinc/89/82/57/1218898257.db2.gz PKQZSHDRQMYZBW-ATZDWAIDSA-N 2 2 361.486 0.631 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)C2 ZINC001227164322 1225864708 /nfs/dbraw/zinc/86/47/08/1225864708.db2.gz ASKCQQSMUAWPHM-ARFHVFGLSA-N 2 2 364.490 0.849 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)CC2 ZINC001227164322 1225864709 /nfs/dbraw/zinc/86/47/09/1225864709.db2.gz ASKCQQSMUAWPHM-ARFHVFGLSA-N 2 2 364.490 0.849 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1)NC1CC1 ZINC001227176299 1225865165 /nfs/dbraw/zinc/86/51/65/1225865165.db2.gz WEXZMIRNAHCTIY-FVQBIDKESA-N 2 2 359.474 0.741 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)CC1 ZINC001055384882 1219039039 /nfs/dbraw/zinc/03/90/39/1219039039.db2.gz AKXNLZAHGQGVNS-QKPAOTATSA-N 2 2 371.485 0.772 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)CC1 ZINC001055384882 1219039043 /nfs/dbraw/zinc/03/90/43/1219039043.db2.gz AKXNLZAHGQGVNS-QKPAOTATSA-N 2 2 371.485 0.772 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1)C(=O)N(C)C ZINC001227211568 1225866138 /nfs/dbraw/zinc/86/61/38/1225866138.db2.gz GNIZWWQDBYEFHK-BPLDGKMQSA-N 2 2 365.478 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055595692 1219094992 /nfs/dbraw/zinc/09/49/92/1219094992.db2.gz BAJGUOBOMBZDQO-DNVCBOLYSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055737 1219109978 /nfs/dbraw/zinc/10/99/78/1219109978.db2.gz HOXQOZHTMGFSNJ-OIISXLGYSA-N 2 2 374.441 0.041 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055737 1219109982 /nfs/dbraw/zinc/10/99/82/1219109982.db2.gz HOXQOZHTMGFSNJ-OIISXLGYSA-N 2 2 374.441 0.041 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158913 1219246633 /nfs/dbraw/zinc/24/66/33/1219246633.db2.gz WWGOVIHNCKBWJS-ZACQAIPSSA-N 2 2 370.461 0.012 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158913 1219246638 /nfs/dbraw/zinc/24/66/38/1219246638.db2.gz WWGOVIHNCKBWJS-ZACQAIPSSA-N 2 2 370.461 0.012 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070185218 1219278068 /nfs/dbraw/zinc/27/80/68/1219278068.db2.gz JXFWBWLUVPKYOI-KFWWJZLASA-N 2 2 359.434 0.012 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070219960 1219301837 /nfs/dbraw/zinc/30/18/37/1219301837.db2.gz UBBXNADUKFKBFT-UAGQMJEPSA-N 2 2 357.462 0.735 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070241574 1219313013 /nfs/dbraw/zinc/31/30/13/1219313013.db2.gz NKZHICPAWHDEIV-CVEARBPZSA-N 2 2 357.462 0.786 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cc3c[nH]c[nH+]3)CCOCC2)CC[N@@H+]1C ZINC001070277557 1219343697 /nfs/dbraw/zinc/34/36/97/1219343697.db2.gz RRPIWSFUTXVHHI-UKRRQHHQSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cc3c[nH]c[nH+]3)CCOCC2)CC[N@H+]1C ZINC001070277557 1219343700 /nfs/dbraw/zinc/34/37/00/1219343700.db2.gz RRPIWSFUTXVHHI-UKRRQHHQSA-N 2 2 363.462 0.074 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070284815 1219349866 /nfs/dbraw/zinc/34/98/66/1219349866.db2.gz WIOFSBQEJQPEPO-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070284829 1219350077 /nfs/dbraw/zinc/35/00/77/1219350077.db2.gz XENGXIBEEUIXDE-OAGGEKHMSA-N 2 2 359.434 0.155 20 0 FCADLP CC(C)[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1n1ccnn1 ZINC001070310279 1219367737 /nfs/dbraw/zinc/36/77/37/1219367737.db2.gz RYGJLEZJGNFJMG-SJORKVTESA-N 2 2 366.429 0.923 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070311316 1219368840 /nfs/dbraw/zinc/36/88/40/1219368840.db2.gz XLNFDHXDCQMZFR-SJORKVTESA-N 2 2 366.429 0.191 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)no1 ZINC001070326937 1219377657 /nfs/dbraw/zinc/37/76/57/1219377657.db2.gz KKJOFCCPMWACCK-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)no1 ZINC001070326937 1219377658 /nfs/dbraw/zinc/37/76/58/1219377658.db2.gz KKJOFCCPMWACCK-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001070336949 1219385060 /nfs/dbraw/zinc/38/50/60/1219385060.db2.gz CUUAGZRULFFRQF-SJORKVTESA-N 2 2 369.404 0.856 20 0 FCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449643 1219413335 /nfs/dbraw/zinc/41/33/35/1219413335.db2.gz UPMUYFXBWZFQSS-RBSFLKMASA-N 2 2 369.473 0.898 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C34CCC[NH+]3CCC4)n[nH]2)O1 ZINC001070574694 1219476205 /nfs/dbraw/zinc/47/62/05/1219476205.db2.gz RDHGLOMTCJBBRW-UONOGXRCSA-N 2 2 362.478 0.879 20 0 FCADLP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070723332 1219543519 /nfs/dbraw/zinc/54/35/19/1219543519.db2.gz FAFPDLZXIVXZNA-HZPDHXFCSA-N 2 2 368.445 0.135 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070924906 1219582154 /nfs/dbraw/zinc/58/21/54/1219582154.db2.gz XVJKULWOKXIYKE-XHSDSOJGSA-N 2 2 361.446 0.707 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070924906 1219582157 /nfs/dbraw/zinc/58/21/57/1219582157.db2.gz XVJKULWOKXIYKE-XHSDSOJGSA-N 2 2 361.446 0.707 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001072828851 1219623586 /nfs/dbraw/zinc/62/35/86/1219623586.db2.gz VFGJXEVMSBQSQO-RBSFLKMASA-N 2 2 367.457 0.827 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001072828851 1219623588 /nfs/dbraw/zinc/62/35/88/1219623588.db2.gz VFGJXEVMSBQSQO-RBSFLKMASA-N 2 2 367.457 0.827 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001072828851 1219623589 /nfs/dbraw/zinc/62/35/89/1219623589.db2.gz VFGJXEVMSBQSQO-RBSFLKMASA-N 2 2 367.457 0.827 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001072828851 1219623594 /nfs/dbraw/zinc/62/35/94/1219623594.db2.gz VFGJXEVMSBQSQO-RBSFLKMASA-N 2 2 367.457 0.827 20 0 FCADLP CCc1nocc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850089 1219624560 /nfs/dbraw/zinc/62/45/60/1219624560.db2.gz QKKKJQQGRBYIOZ-RHSMWYFYSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850089 1219624563 /nfs/dbraw/zinc/62/45/63/1219624563.db2.gz QKKKJQQGRBYIOZ-RHSMWYFYSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850089 1219624566 /nfs/dbraw/zinc/62/45/66/1219624566.db2.gz QKKKJQQGRBYIOZ-RHSMWYFYSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850089 1219624569 /nfs/dbraw/zinc/62/45/69/1219624569.db2.gz QKKKJQQGRBYIOZ-RHSMWYFYSA-N 2 2 362.474 0.990 20 0 FCADLP COc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)on1 ZINC001072849723 1219624907 /nfs/dbraw/zinc/62/49/07/1219624907.db2.gz JSISDGUYBMBZAH-UKRRQHHQSA-N 2 2 364.446 0.437 20 0 FCADLP COc1cc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)on1 ZINC001072849723 1219624909 /nfs/dbraw/zinc/62/49/09/1219624909.db2.gz JSISDGUYBMBZAH-UKRRQHHQSA-N 2 2 364.446 0.437 20 0 FCADLP COc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)on1 ZINC001072849723 1219624911 /nfs/dbraw/zinc/62/49/11/1219624911.db2.gz JSISDGUYBMBZAH-UKRRQHHQSA-N 2 2 364.446 0.437 20 0 FCADLP COc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)on1 ZINC001072849723 1219624913 /nfs/dbraw/zinc/62/49/13/1219624913.db2.gz JSISDGUYBMBZAH-UKRRQHHQSA-N 2 2 364.446 0.437 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCC1)C2 ZINC001072994486 1219630147 /nfs/dbraw/zinc/63/01/47/1219630147.db2.gz DCKAUSXJRZBOLN-HUUCEWRRSA-N 2 2 357.458 0.290 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N1CCC1)C2 ZINC001072994486 1219630148 /nfs/dbraw/zinc/63/01/48/1219630148.db2.gz DCKAUSXJRZBOLN-HUUCEWRRSA-N 2 2 357.458 0.290 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073264085 1219648173 /nfs/dbraw/zinc/64/81/73/1219648173.db2.gz XLOIERURHLBPCY-HUUCEWRRSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1ncc(C[NH+]2CCCO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001073660717 1219676571 /nfs/dbraw/zinc/67/65/71/1219676571.db2.gz MPORYOIUNFUFBF-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[NH+]2CCCO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001073660717 1219676574 /nfs/dbraw/zinc/67/65/74/1219676574.db2.gz MPORYOIUNFUFBF-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001073660717 1219676576 /nfs/dbraw/zinc/67/65/76/1219676576.db2.gz MPORYOIUNFUFBF-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001073660717 1219676578 /nfs/dbraw/zinc/67/65/78/1219676578.db2.gz MPORYOIUNFUFBF-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001098285922 1219752040 /nfs/dbraw/zinc/75/20/40/1219752040.db2.gz UDWFKYUHYPESKP-SRABZTEZSA-N 2 2 358.446 0.240 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001098285922 1219752044 /nfs/dbraw/zinc/75/20/44/1219752044.db2.gz UDWFKYUHYPESKP-SRABZTEZSA-N 2 2 358.446 0.240 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841169 1219838084 /nfs/dbraw/zinc/83/80/84/1219838084.db2.gz BVLBUVPFSCAMCH-FCEWJHQRSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841169 1219838086 /nfs/dbraw/zinc/83/80/86/1219838086.db2.gz BVLBUVPFSCAMCH-FCEWJHQRSA-N 2 2 358.490 0.628 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898615 1219856702 /nfs/dbraw/zinc/85/67/02/1219856702.db2.gz IVZISDCITAAKPA-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898615 1219856706 /nfs/dbraw/zinc/85/67/06/1219856706.db2.gz IVZISDCITAAKPA-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898615 1219856708 /nfs/dbraw/zinc/85/67/08/1219856708.db2.gz IVZISDCITAAKPA-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898615 1219856710 /nfs/dbraw/zinc/85/67/10/1219856710.db2.gz IVZISDCITAAKPA-HNAWSFBYSA-N 2 2 373.501 0.975 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935024 1219869003 /nfs/dbraw/zinc/86/90/03/1219869003.db2.gz BCBLERPAYNFJCY-LIRRHRJNSA-N 2 2 368.441 0.598 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935024 1219869004 /nfs/dbraw/zinc/86/90/04/1219869004.db2.gz BCBLERPAYNFJCY-LIRRHRJNSA-N 2 2 368.441 0.598 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1)C1CC1 ZINC001099120899 1219920269 /nfs/dbraw/zinc/92/02/69/1219920269.db2.gz JYNMCYVNRFHIOX-LIRRHRJNSA-N 2 2 359.474 0.554 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1)C1CC1 ZINC001099120899 1219920273 /nfs/dbraw/zinc/92/02/73/1219920273.db2.gz JYNMCYVNRFHIOX-LIRRHRJNSA-N 2 2 359.474 0.554 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001099121295 1219920791 /nfs/dbraw/zinc/92/07/91/1219920791.db2.gz VRMZKWYJFPSRGG-LIRRHRJNSA-N 2 2 370.457 0.932 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001099121295 1219920797 /nfs/dbraw/zinc/92/07/97/1219920797.db2.gz VRMZKWYJFPSRGG-LIRRHRJNSA-N 2 2 370.457 0.932 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001099137949 1219925733 /nfs/dbraw/zinc/92/57/33/1219925733.db2.gz KRQYVUOKPWZGMN-TYILLQQXSA-N 2 2 359.474 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)NC1CC1)C2 ZINC001099137949 1219925736 /nfs/dbraw/zinc/92/57/36/1219925736.db2.gz KRQYVUOKPWZGMN-TYILLQQXSA-N 2 2 359.474 0.898 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001099162982 1219936174 /nfs/dbraw/zinc/93/61/74/1219936174.db2.gz FVKGADFGENAHGY-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001099162982 1219936177 /nfs/dbraw/zinc/93/61/77/1219936177.db2.gz FVKGADFGENAHGY-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099161138 1219936784 /nfs/dbraw/zinc/93/67/84/1219936784.db2.gz YRIBCKFJYOLWIT-VKJFTORMSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099161138 1219936786 /nfs/dbraw/zinc/93/67/86/1219936786.db2.gz YRIBCKFJYOLWIT-VKJFTORMSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099161138 1219936789 /nfs/dbraw/zinc/93/67/89/1219936789.db2.gz YRIBCKFJYOLWIT-VKJFTORMSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099161138 1219936791 /nfs/dbraw/zinc/93/67/91/1219936791.db2.gz YRIBCKFJYOLWIT-VKJFTORMSA-N 2 2 361.494 0.676 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccnn2C)C3)C1 ZINC001099172245 1219939433 /nfs/dbraw/zinc/93/94/33/1219939433.db2.gz SGWJZVMOAZLUAN-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccnn2C)C3)C1 ZINC001099172245 1219939435 /nfs/dbraw/zinc/93/94/35/1219939435.db2.gz SGWJZVMOAZLUAN-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccnn2C)C3)C1 ZINC001099172245 1219939438 /nfs/dbraw/zinc/93/94/38/1219939438.db2.gz SGWJZVMOAZLUAN-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccnn2C)C3)C1 ZINC001099172245 1219939443 /nfs/dbraw/zinc/93/94/43/1219939443.db2.gz SGWJZVMOAZLUAN-IEZWGBDMSA-N 2 2 361.490 0.612 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099328856 1219969105 /nfs/dbraw/zinc/96/91/05/1219969105.db2.gz KZBPDSNVHFLVON-TZMCWYRMSA-N 2 2 369.347 0.852 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099333034 1219969777 /nfs/dbraw/zinc/96/97/77/1219969777.db2.gz OBJNDGFRSJCSPH-ZIAGYGMSSA-N 2 2 370.379 0.838 20 0 FCADLP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001099348974 1219973102 /nfs/dbraw/zinc/97/31/02/1219973102.db2.gz PAERECCRQJRRSQ-ZIAGYGMSSA-N 2 2 370.379 0.838 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncccn3)C2)C1 ZINC001099403844 1219984024 /nfs/dbraw/zinc/98/40/24/1219984024.db2.gz QWQJLQUFEOHBFR-FCEWJHQRSA-N 2 2 359.474 0.526 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3ncccn3)C2)C1 ZINC001099403844 1219984032 /nfs/dbraw/zinc/98/40/32/1219984032.db2.gz QWQJLQUFEOHBFR-FCEWJHQRSA-N 2 2 359.474 0.526 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001099403801 1219984118 /nfs/dbraw/zinc/98/41/18/1219984118.db2.gz PTVNZSDKXUHINC-FCEWJHQRSA-N 2 2 361.490 0.469 20 0 FCADLP Cn1ccnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001099403801 1219984128 /nfs/dbraw/zinc/98/41/28/1219984128.db2.gz PTVNZSDKXUHINC-FCEWJHQRSA-N 2 2 361.490 0.469 20 0 FCADLP Cc1noc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)n1 ZINC001099404078 1219984348 /nfs/dbraw/zinc/98/43/48/1219984348.db2.gz UXOYNHRHRIBADR-DAYGRLMNSA-N 2 2 363.462 0.427 20 0 FCADLP Cc1noc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001099404078 1219984354 /nfs/dbraw/zinc/98/43/54/1219984354.db2.gz UXOYNHRHRIBADR-DAYGRLMNSA-N 2 2 363.462 0.427 20 0 FCADLP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]c[nH+]2)C3)C1=O ZINC001099443955 1219998622 /nfs/dbraw/zinc/99/86/22/1219998622.db2.gz KIMWLUQQXKAECV-GMBSWORKSA-N 2 2 359.474 0.791 20 0 FCADLP CN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH+]c[nH]2)C3)C1=O ZINC001099443955 1219998626 /nfs/dbraw/zinc/99/86/26/1219998626.db2.gz KIMWLUQQXKAECV-GMBSWORKSA-N 2 2 359.474 0.791 20 0 FCADLP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2c[nH]c[nH+]2)C3)nn1 ZINC001099443985 1219999172 /nfs/dbraw/zinc/99/91/72/1219999172.db2.gz LVSHCMIJMCXUTO-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]cn2C)C3)[nH]1 ZINC001099527357 1220023638 /nfs/dbraw/zinc/02/36/38/1220023638.db2.gz VRNOLVIJDUPIHT-KSSFIOAISA-N 2 2 357.462 0.808 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000751355973 1220033810 /nfs/dbraw/zinc/03/38/10/1220033810.db2.gz MDZRLNAKWUTYMH-QGZVFWFLSA-N 2 2 360.458 0.797 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000751355973 1220033815 /nfs/dbraw/zinc/03/38/15/1220033815.db2.gz MDZRLNAKWUTYMH-QGZVFWFLSA-N 2 2 360.458 0.797 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)NC[C@@H]1CCOC1 ZINC001228800831 1225952367 /nfs/dbraw/zinc/95/23/67/1225952367.db2.gz OQGRYIXAFDDVSF-NUEKZKHPSA-N 2 2 363.462 0.122 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101213884 1220229929 /nfs/dbraw/zinc/22/99/29/1220229929.db2.gz CBEMODAOKLNUNS-BEFAXECRSA-N 2 2 361.490 0.895 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101213884 1220229931 /nfs/dbraw/zinc/22/99/31/1220229931.db2.gz CBEMODAOKLNUNS-BEFAXECRSA-N 2 2 361.490 0.895 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001101257165 1220249970 /nfs/dbraw/zinc/24/99/70/1220249970.db2.gz JFRHNABLEOLRBI-KYJSFNMBSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001101257165 1220249975 /nfs/dbraw/zinc/24/99/75/1220249975.db2.gz JFRHNABLEOLRBI-KYJSFNMBSA-N 2 2 366.485 0.775 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CC1 ZINC001101375502 1220308188 /nfs/dbraw/zinc/30/81/88/1220308188.db2.gz WEAADOONXURIKL-MUKKUYKPSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CC1 ZINC001101375502 1220308194 /nfs/dbraw/zinc/30/81/94/1220308194.db2.gz WEAADOONXURIKL-MUKKUYKPSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CC1 ZINC001101375503 1220308744 /nfs/dbraw/zinc/30/87/44/1220308744.db2.gz WEAADOONXURIKL-OHNRDTAOSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CC1 ZINC001101375503 1220308746 /nfs/dbraw/zinc/30/87/46/1220308746.db2.gz WEAADOONXURIKL-OHNRDTAOSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101418205 1220333238 /nfs/dbraw/zinc/33/32/38/1220333238.db2.gz FQGHTAXQEUPINL-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101418205 1220333244 /nfs/dbraw/zinc/33/32/44/1220333244.db2.gz FQGHTAXQEUPINL-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101418205 1220333248 /nfs/dbraw/zinc/33/32/48/1220333248.db2.gz FQGHTAXQEUPINL-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101418205 1220333254 /nfs/dbraw/zinc/33/32/54/1220333254.db2.gz FQGHTAXQEUPINL-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC001101488136 1220371473 /nfs/dbraw/zinc/37/14/73/1220371473.db2.gz NUELGIJAFUSWOL-GMBSWORKSA-N 2 2 359.474 0.578 20 0 FCADLP 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C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102045105 1220476467 /nfs/dbraw/zinc/47/64/67/1220476467.db2.gz RTKMXYFGAXFZTI-BFYDXBDKSA-N 2 2 360.462 0.686 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102045105 1220476470 /nfs/dbraw/zinc/47/64/70/1220476470.db2.gz RTKMXYFGAXFZTI-BFYDXBDKSA-N 2 2 360.462 0.686 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046167 1220476885 /nfs/dbraw/zinc/47/68/85/1220476885.db2.gz QGADDYDUGHZZCW-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046167 1220476887 /nfs/dbraw/zinc/47/68/87/1220476887.db2.gz QGADDYDUGHZZCW-ZIAGYGMSSA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001102060669 1220482271 /nfs/dbraw/zinc/48/22/71/1220482271.db2.gz LETILLAHXYDOCV-DTZQCDIJSA-N 2 2 359.474 0.724 20 0 FCADLP 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C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102189131 1220542961 /nfs/dbraw/zinc/54/29/61/1220542961.db2.gz XKMSQIHWYLRMGF-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102189131 1220542966 /nfs/dbraw/zinc/54/29/66/1220542966.db2.gz XKMSQIHWYLRMGF-HUUCEWRRSA-N 2 2 363.510 0.659 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102314477 1220581856 /nfs/dbraw/zinc/58/18/56/1220581856.db2.gz KSSNARMEWHVLES-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001102314477 1220581863 /nfs/dbraw/zinc/58/18/63/1220581863.db2.gz KSSNARMEWHVLES-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102314477 1220581870 /nfs/dbraw/zinc/58/18/70/1220581870.db2.gz KSSNARMEWHVLES-QBIMZIAESA-N 2 2 361.490 0.941 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3cnc(F)cn3)CC2)CC[N@H+]1C ZINC001102425495 1220620148 /nfs/dbraw/zinc/62/01/48/1220620148.db2.gz YOHOJJZCJCYNEN-HUUCEWRRSA-N 2 2 364.469 0.536 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102467022 1220637668 /nfs/dbraw/zinc/63/76/68/1220637668.db2.gz DJKSYTSCXMGLCH-HZPDHXFCSA-N 2 2 364.494 0.204 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102467022 1220637670 /nfs/dbraw/zinc/63/76/70/1220637670.db2.gz DJKSYTSCXMGLCH-HZPDHXFCSA-N 2 2 364.494 0.204 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482607 1220648380 /nfs/dbraw/zinc/64/83/80/1220648380.db2.gz AUGANLDXGGPLLV-QLFBSQMISA-N 2 2 365.478 0.178 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482607 1220648383 /nfs/dbraw/zinc/64/83/83/1220648383.db2.gz AUGANLDXGGPLLV-QLFBSQMISA-N 2 2 365.478 0.178 20 0 FCADLP 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CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514801 1220674504 /nfs/dbraw/zinc/67/45/04/1220674504.db2.gz OLGLYFYSGUHRLK-BZUAXINKSA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514801 1220674511 /nfs/dbraw/zinc/67/45/11/1220674511.db2.gz OLGLYFYSGUHRLK-BZUAXINKSA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514801 1220674513 /nfs/dbraw/zinc/67/45/13/1220674513.db2.gz OLGLYFYSGUHRLK-BZUAXINKSA-N 2 2 363.510 0.609 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102524467 1220680763 /nfs/dbraw/zinc/68/07/63/1220680763.db2.gz HAFGLVKJDPSOOK-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102524467 1220680764 /nfs/dbraw/zinc/68/07/64/1220680764.db2.gz HAFGLVKJDPSOOK-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP 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Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1C ZINC001102532343 1220684799 /nfs/dbraw/zinc/68/47/99/1220684799.db2.gz HTNITPMVUNILCE-UNEWFSDZSA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102532623 1220685157 /nfs/dbraw/zinc/68/51/57/1220685157.db2.gz WWXALNOZECTALT-OIISXLGYSA-N 2 2 366.506 0.978 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1C ZINC001102532623 1220685159 /nfs/dbraw/zinc/68/51/59/1220685159.db2.gz WWXALNOZECTALT-OIISXLGYSA-N 2 2 366.506 0.978 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102539685 1220688296 /nfs/dbraw/zinc/68/82/96/1220688296.db2.gz LODAWKFVLZOOCF-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102539685 1220688297 /nfs/dbraw/zinc/68/82/97/1220688297.db2.gz LODAWKFVLZOOCF-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540477 1220688647 /nfs/dbraw/zinc/68/86/47/1220688647.db2.gz LUYRUKGXRJNUEM-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540477 1220688651 /nfs/dbraw/zinc/68/86/51/1220688651.db2.gz LUYRUKGXRJNUEM-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)on1 ZINC001102601155 1220723902 /nfs/dbraw/zinc/72/39/02/1220723902.db2.gz NYAGYAABXJIWPZ-UKRRQHHQSA-N 2 2 365.478 0.946 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)on1 ZINC001102601155 1220723906 /nfs/dbraw/zinc/72/39/06/1220723906.db2.gz NYAGYAABXJIWPZ-UKRRQHHQSA-N 2 2 365.478 0.946 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)on1 ZINC001102601155 1220723911 /nfs/dbraw/zinc/72/39/11/1220723911.db2.gz NYAGYAABXJIWPZ-UKRRQHHQSA-N 2 2 365.478 0.946 20 0 FCADLP 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C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993733 1220817707 /nfs/dbraw/zinc/81/77/07/1220817707.db2.gz GOGWNPAKLBAKGI-BMFZPTHFSA-N 2 2 361.494 0.126 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993733 1220817708 /nfs/dbraw/zinc/81/77/08/1220817708.db2.gz GOGWNPAKLBAKGI-BMFZPTHFSA-N 2 2 361.494 0.126 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159243 1220841812 /nfs/dbraw/zinc/84/18/12/1220841812.db2.gz AMNPWIVUVUEUKV-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159243 1220841813 /nfs/dbraw/zinc/84/18/13/1220841813.db2.gz AMNPWIVUVUEUKV-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103452276 1220885680 /nfs/dbraw/zinc/88/56/80/1220885680.db2.gz QPSKDPVDGGMVJR-MUIFIZLQSA-N 2 2 371.489 0.927 20 0 FCADLP 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Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)nc1 ZINC001104033785 1221001371 /nfs/dbraw/zinc/00/13/71/1221001371.db2.gz HFBCHMFLNWGXPE-ZACQAIPSSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)nc1 ZINC001104033785 1221001374 /nfs/dbraw/zinc/00/13/74/1221001374.db2.gz HFBCHMFLNWGXPE-ZACQAIPSSA-N 2 2 361.490 0.690 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001111773571 1221101935 /nfs/dbraw/zinc/10/19/35/1221101935.db2.gz DDFMPPUYXFCFMA-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001111773571 1221101942 /nfs/dbraw/zinc/10/19/42/1221101942.db2.gz DDFMPPUYXFCFMA-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001111773571 1221101945 /nfs/dbraw/zinc/10/19/45/1221101945.db2.gz DDFMPPUYXFCFMA-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001111773571 1221101949 /nfs/dbraw/zinc/10/19/49/1221101949.db2.gz DDFMPPUYXFCFMA-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001111816018 1221124361 /nfs/dbraw/zinc/12/43/61/1221124361.db2.gz JXKOGPQHHLXVOY-DOXZYTNZSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001111816018 1221124366 /nfs/dbraw/zinc/12/43/66/1221124366.db2.gz JXKOGPQHHLXVOY-DOXZYTNZSA-N 2 2 359.474 0.602 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852429 1221136610 /nfs/dbraw/zinc/13/66/10/1221136610.db2.gz SXYSMGZBZCTGFK-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852429 1221136615 /nfs/dbraw/zinc/13/66/15/1221136615.db2.gz SXYSMGZBZCTGFK-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001111852429 1221136618 /nfs/dbraw/zinc/13/66/18/1221136618.db2.gz SXYSMGZBZCTGFK-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001111852429 1221136620 /nfs/dbraw/zinc/13/66/20/1221136620.db2.gz SXYSMGZBZCTGFK-FCEWJHQRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001111899355 1221156838 /nfs/dbraw/zinc/15/68/38/1221156838.db2.gz MEVMJNCUSZCMNF-MPGHIAIKSA-N 2 2 357.462 0.851 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111899355 1221156843 /nfs/dbraw/zinc/15/68/43/1221156843.db2.gz MEVMJNCUSZCMNF-MPGHIAIKSA-N 2 2 357.462 0.851 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001111899355 1221156846 /nfs/dbraw/zinc/15/68/46/1221156846.db2.gz MEVMJNCUSZCMNF-MPGHIAIKSA-N 2 2 357.462 0.851 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111899355 1221156849 /nfs/dbraw/zinc/15/68/49/1221156849.db2.gz MEVMJNCUSZCMNF-MPGHIAIKSA-N 2 2 357.462 0.851 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938277 1221178509 /nfs/dbraw/zinc/17/85/09/1221178509.db2.gz UIXRBUDUHNFCBZ-DOXZYTNZSA-N 2 2 361.490 0.848 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938277 1221178512 /nfs/dbraw/zinc/17/85/12/1221178512.db2.gz UIXRBUDUHNFCBZ-DOXZYTNZSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111996252 1221196174 /nfs/dbraw/zinc/19/61/74/1221196174.db2.gz RTEZJRQJRBTDLI-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111996252 1221196177 /nfs/dbraw/zinc/19/61/77/1221196177.db2.gz RTEZJRQJRBTDLI-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001111996252 1221196178 /nfs/dbraw/zinc/19/61/78/1221196178.db2.gz RTEZJRQJRBTDLI-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001111996252 1221196180 /nfs/dbraw/zinc/19/61/80/1221196180.db2.gz RTEZJRQJRBTDLI-BXWFABGCSA-N 2 2 366.506 0.156 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCn3cc[nH+]c3)C2)C1=O ZINC001112019604 1221202368 /nfs/dbraw/zinc/20/23/68/1221202368.db2.gz DKELEGUQDYTUFY-FCEWJHQRSA-N 2 2 359.474 0.865 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCn3cc[nH+]c3)C2)C1=O ZINC001112019604 1221202371 /nfs/dbraw/zinc/20/23/71/1221202371.db2.gz DKELEGUQDYTUFY-FCEWJHQRSA-N 2 2 359.474 0.865 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4(COC(=O)N4)CC3)C2)CC1 ZINC000784331105 1221239693 /nfs/dbraw/zinc/23/96/93/1221239693.db2.gz ZCPPQQLNBAFNBF-CQSZACIVSA-N 2 2 365.478 0.439 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4(COC(=O)N4)CC3)C2)CC1 ZINC000784331105 1221239696 /nfs/dbraw/zinc/23/96/96/1221239696.db2.gz ZCPPQQLNBAFNBF-CQSZACIVSA-N 2 2 365.478 0.439 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1)[NH+]1CCOCC1 ZINC000784569778 1221247844 /nfs/dbraw/zinc/24/78/44/1221247844.db2.gz ASQJQXKUBGFMMC-INIZCTEOSA-N 2 2 369.506 0.688 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1)[NH+]1CCOCC1 ZINC000784569778 1221247849 /nfs/dbraw/zinc/24/78/49/1221247849.db2.gz ASQJQXKUBGFMMC-INIZCTEOSA-N 2 2 369.506 0.688 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(N)=O)C1 ZINC001112424456 1221257349 /nfs/dbraw/zinc/25/73/49/1221257349.db2.gz ZXYRJNGXKIFYKO-WTANOLMUSA-N 2 2 360.458 0.725 20 0 FCADLP CCCn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000784805055 1221260030 /nfs/dbraw/zinc/26/00/30/1221260030.db2.gz YKXWOROFYFXMPN-AWEZNQCLSA-N 2 2 362.478 0.516 20 0 FCADLP CCCn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000784805055 1221260033 /nfs/dbraw/zinc/26/00/33/1221260033.db2.gz YKXWOROFYFXMPN-AWEZNQCLSA-N 2 2 362.478 0.516 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683427 1226027708 /nfs/dbraw/zinc/02/77/08/1226027708.db2.gz VMJVGXWCHGLSRO-IAGOWNOFSA-N 2 2 365.478 0.132 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001229693408 1226028471 /nfs/dbraw/zinc/02/84/71/1226028471.db2.gz RVLMGFHWSIYVBZ-GVDBMIGSSA-N 2 2 360.462 0.237 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229932919 1226040433 /nfs/dbraw/zinc/04/04/33/1226040433.db2.gz CWLVSPFKIXWIEO-BZUAXINKSA-N 2 2 368.478 0.302 20 0 FCADLP Cc1nn(CCO)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001117137705 1221477657 /nfs/dbraw/zinc/47/76/57/1221477657.db2.gz MIXAFGRFCKFCRA-ALOPSCKCSA-N 2 2 363.506 0.665 20 0 FCADLP Cc1nn(CCO)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001117137705 1221477661 /nfs/dbraw/zinc/47/76/61/1221477661.db2.gz MIXAFGRFCKFCRA-ALOPSCKCSA-N 2 2 363.506 0.665 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cccc(O)c3)C2)CC1 ZINC001117173880 1221488258 /nfs/dbraw/zinc/48/82/58/1221488258.db2.gz PIQCQAONSKPXSA-MRXNPFEDSA-N 2 2 374.485 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cccc(O)c3)C2)CC1 ZINC001117173880 1221488262 /nfs/dbraw/zinc/48/82/62/1221488262.db2.gz PIQCQAONSKPXSA-MRXNPFEDSA-N 2 2 374.485 0.336 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001230018873 1226046449 /nfs/dbraw/zinc/04/64/49/1226046449.db2.gz IGEFLADJOVBZPF-KFWWJZLASA-N 2 2 361.446 0.175 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001117980889 1221674990 /nfs/dbraw/zinc/67/49/90/1221674990.db2.gz OGELFCXFKMSASY-OAHLLOKOSA-N 2 2 369.469 0.976 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC001119371369 1221909098 /nfs/dbraw/zinc/90/90/98/1221909098.db2.gz VKJZDSSBFPEMSN-BFYDXBDKSA-N 2 2 374.485 0.754 20 0 FCADLP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC001119401571 1221912141 /nfs/dbraw/zinc/91/21/41/1221912141.db2.gz FCJZCKNLPFNLNZ-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC001119401571 1221912143 /nfs/dbraw/zinc/91/21/43/1221912143.db2.gz FCJZCKNLPFNLNZ-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001120891570 1222128654 /nfs/dbraw/zinc/12/86/54/1222128654.db2.gz IISMKCBWLGKCNN-OUCADQQQSA-N 2 2 361.450 0.341 20 0 FCADLP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001120891570 1222128656 /nfs/dbraw/zinc/12/86/56/1222128656.db2.gz IISMKCBWLGKCNN-OUCADQQQSA-N 2 2 361.450 0.341 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)CC1 ZINC001121267997 1222157977 /nfs/dbraw/zinc/15/79/77/1222157977.db2.gz JOIBGVKWESYSHF-CQSZACIVSA-N 2 2 363.510 0.433 20 0 FCADLP CC[C@H](C)[NH+]1CCN(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)CC1 ZINC001121267996 1222158320 /nfs/dbraw/zinc/15/83/20/1222158320.db2.gz JOIBGVKWESYSHF-AWEZNQCLSA-N 2 2 363.510 0.433 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000829500354 1222439378 /nfs/dbraw/zinc/43/93/78/1222439378.db2.gz KWTWAOIKZIBFHC-JKSUJKDBSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000829500354 1222439384 /nfs/dbraw/zinc/43/93/84/1222439384.db2.gz KWTWAOIKZIBFHC-JKSUJKDBSA-N 2 2 374.489 0.526 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CCNC(C)=O)cc2)CC1 ZINC000830115563 1222464570 /nfs/dbraw/zinc/46/45/70/1222464570.db2.gz JWKCFPLTDRSWBK-UHFFFAOYSA-N 2 2 361.490 0.835 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CCNC(C)=O)cc2)CC1 ZINC000830115563 1222464575 /nfs/dbraw/zinc/46/45/75/1222464575.db2.gz JWKCFPLTDRSWBK-UHFFFAOYSA-N 2 2 361.490 0.835 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452072 1222473887 /nfs/dbraw/zinc/47/38/87/1222473887.db2.gz XGGGFOJLVRKMOS-LSDHHAIUSA-N 2 2 372.510 0.356 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452072 1222473889 /nfs/dbraw/zinc/47/38/89/1222473889.db2.gz XGGGFOJLVRKMOS-LSDHHAIUSA-N 2 2 372.510 0.356 20 0 FCADLP O=C1COC2(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)CN1 ZINC001139059300 1222538689 /nfs/dbraw/zinc/53/86/89/1222538689.db2.gz UUDFQCOUOLDAHZ-UHFFFAOYSA-N 2 2 359.470 1.000 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccc(=O)[nH]n3)CC2)C1 ZINC001232022959 1226136410 /nfs/dbraw/zinc/13/64/10/1226136410.db2.gz BYXUQZMSDXLLKT-UHFFFAOYSA-N 2 2 363.462 0.185 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc(=O)[nH]n3)CC2)C1 ZINC001232022959 1226136415 /nfs/dbraw/zinc/13/64/15/1226136415.db2.gz BYXUQZMSDXLLKT-UHFFFAOYSA-N 2 2 363.462 0.185 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000839238524 1222707254 /nfs/dbraw/zinc/70/72/54/1222707254.db2.gz ZNGSUIFMIBVGDM-UHFFFAOYSA-N 2 2 360.502 0.783 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4cccnn4)CC3)cn2)CC1 ZINC001232366791 1226148579 /nfs/dbraw/zinc/14/85/79/1226148579.db2.gz PJGBACJPYLUVEW-UHFFFAOYSA-N 2 2 353.474 0.946 20 0 FCADLP O=C1C[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C(=O)N1CCCO ZINC000840737739 1222801082 /nfs/dbraw/zinc/80/10/82/1222801082.db2.gz BYDVAHDITDPBFN-MRXNPFEDSA-N 2 2 360.458 0.909 20 0 FCADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@@]1(O)CCc2ccccc21 ZINC000842624664 1222850228 /nfs/dbraw/zinc/85/02/28/1222850228.db2.gz OONZDTQBCBHHLB-FQEVSTJZSA-N 2 2 372.469 0.726 20 0 FCADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@@]1(O)CCc2ccccc21 ZINC000842624664 1222850229 /nfs/dbraw/zinc/85/02/29/1222850229.db2.gz OONZDTQBCBHHLB-FQEVSTJZSA-N 2 2 372.469 0.726 20 0 FCADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@](C)(O)c1ccccc1 ZINC000842626401 1222850382 /nfs/dbraw/zinc/85/03/82/1222850382.db2.gz PGCMZXVEMYYQBA-SFHVURJKSA-N 2 2 360.458 0.800 20 0 FCADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@](C)(O)c1ccccc1 ZINC000842626401 1222850385 /nfs/dbraw/zinc/85/03/85/1222850385.db2.gz PGCMZXVEMYYQBA-SFHVURJKSA-N 2 2 360.458 0.800 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@@H]4C[NH2+]CCO4)n3)cn2)CC1 ZINC000843207143 1222860210 /nfs/dbraw/zinc/86/02/10/1222860210.db2.gz VVACPYNRMBLDCJ-CQSZACIVSA-N 2 2 372.429 0.050 20 0 FCADLP CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C1=O ZINC000843356382 1222872863 /nfs/dbraw/zinc/87/28/63/1222872863.db2.gz VXCWJMRYCWNYEW-MOPGFXCFSA-N 2 2 373.457 0.592 20 0 FCADLP CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+]CC2([NH3+])CCC2)C1=O ZINC000843367337 1222873533 /nfs/dbraw/zinc/87/35/33/1222873533.db2.gz FYHJZFXFZZMYDU-SFHVURJKSA-N 2 2 359.430 0.346 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277697271 1226161219 /nfs/dbraw/zinc/16/12/19/1226161219.db2.gz IWWNTXDCKFYZTK-IUODEOHRSA-N 2 2 374.363 0.684 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277697271 1226161223 /nfs/dbraw/zinc/16/12/23/1226161223.db2.gz IWWNTXDCKFYZTK-IUODEOHRSA-N 2 2 374.363 0.684 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733462 1222888464 /nfs/dbraw/zinc/88/84/64/1222888464.db2.gz FXLMNGGHSSQKPS-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733462 1222888466 /nfs/dbraw/zinc/88/84/66/1222888466.db2.gz FXLMNGGHSSQKPS-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149733462 1222888469 /nfs/dbraw/zinc/88/84/69/1222888469.db2.gz FXLMNGGHSSQKPS-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733462 1222888474 /nfs/dbraw/zinc/88/84/74/1222888474.db2.gz FXLMNGGHSSQKPS-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC[N@H+](CC(=O)N(C)CC1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998491 1222997740 /nfs/dbraw/zinc/99/77/40/1222997740.db2.gz SWZLLBSSLMKYLF-BFYDXBDKSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@@H+](CC(=O)N(C)CC1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998491 1222997756 /nfs/dbraw/zinc/99/77/56/1222997756.db2.gz SWZLLBSSLMKYLF-BFYDXBDKSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC(=O)N(C)CC1CC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998491 1222997762 /nfs/dbraw/zinc/99/77/62/1222997762.db2.gz SWZLLBSSLMKYLF-BFYDXBDKSA-N 2 2 368.522 0.401 20 0 FCADLP C[NH+]1CCN(c2nccc(N3CCN(c4[nH+]cccc4N)CC3)n2)CC1 ZINC001154787799 1223018469 /nfs/dbraw/zinc/01/84/69/1223018469.db2.gz SEVWZPGJPFYOJK-UHFFFAOYSA-N 2 2 354.462 0.532 20 0 FCADLP CC[N@H+](CC(=O)N1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321456 1223032884 /nfs/dbraw/zinc/03/28/84/1223032884.db2.gz OSTBKRYXHPBCRA-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](CC(=O)N1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321456 1223032886 /nfs/dbraw/zinc/03/28/86/1223032886.db2.gz OSTBKRYXHPBCRA-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP COC(=O)c1cn2c(n1)CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001155659620 1223040899 /nfs/dbraw/zinc/04/08/99/1223040899.db2.gz HOCGLCLKDGUPFC-UHFFFAOYSA-N 2 2 356.430 0.837 20 0 FCADLP C[NH+](C)C1(CNc2ccc(C(=O)N3CCOCC3)cn2)CC[NH+](C)CC1 ZINC001156176688 1223050661 /nfs/dbraw/zinc/05/06/61/1223050661.db2.gz QBIJSGBMBYIYEM-UHFFFAOYSA-N 2 2 361.490 0.992 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)CC[C@@H]2C1 ZINC001156971214 1223065185 /nfs/dbraw/zinc/06/51/85/1223065185.db2.gz DVRFVKFXXCCVBA-RHSMWYFYSA-N 2 2 373.457 0.954 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)CC[C@@H]2C1 ZINC001156971214 1223065189 /nfs/dbraw/zinc/06/51/89/1223065189.db2.gz DVRFVKFXXCCVBA-RHSMWYFYSA-N 2 2 373.457 0.954 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037732 1223066493 /nfs/dbraw/zinc/06/64/93/1223066493.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001157037732 1223066495 /nfs/dbraw/zinc/06/64/95/1223066495.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001157037732 1223066497 /nfs/dbraw/zinc/06/64/97/1223066497.db2.gz XCHPMWYHJSMJSY-NVXWUHKLSA-N 2 2 371.441 0.917 20 0 FCADLP COC(=O)[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CCN1C(C)=O ZINC001158013505 1223087285 /nfs/dbraw/zinc/08/72/85/1223087285.db2.gz FBFQKPRPFXDKLU-HNNXBMFYSA-N 2 2 361.446 0.044 20 0 FCADLP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C2 ZINC001158415774 1223097313 /nfs/dbraw/zinc/09/73/13/1223097313.db2.gz OHEQGSDRIVQUHR-GPMSIDNRSA-N 2 2 361.442 0.829 20 0 FCADLP CCOC(=O)C1(Nc2ccc(N3CC[NH+](C)CC3)nn2)CC[NH+](C)CC1 ZINC001158568573 1223102533 /nfs/dbraw/zinc/10/25/33/1223102533.db2.gz KYAGCMPVBPVJKD-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP CCOC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)Cc2nn(CC3CC3)cc21 ZINC001158797924 1223110099 /nfs/dbraw/zinc/11/00/99/1223110099.db2.gz DXRXOQDMYFCKBN-FTRWYGJKSA-N 2 2 373.501 0.707 20 0 FCADLP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821714 1223110442 /nfs/dbraw/zinc/11/04/42/1223110442.db2.gz PQOCGLAPJCYMHU-HNNXBMFYSA-N 3 2 370.457 0.678 20 0 FCADLP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821715 1223110566 /nfs/dbraw/zinc/11/05/66/1223110566.db2.gz PQOCGLAPJCYMHU-OAHLLOKOSA-N 3 2 370.457 0.678 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001159074407 1223116631 /nfs/dbraw/zinc/11/66/31/1223116631.db2.gz AVGUNHPLEUVFTQ-RCJHGTSTSA-N 2 2 367.490 0.629 20 0 FCADLP [NH3+][C@@H](C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)C1CC[NH2+]CC1 ZINC001159192894 1223119954 /nfs/dbraw/zinc/11/99/54/1223119954.db2.gz YTVPLRDKUYGIKB-CRAIPNDOSA-N 3 2 361.490 0.595 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)O1 ZINC001159245601 1223121838 /nfs/dbraw/zinc/12/18/38/1223121838.db2.gz MOBIMLZEBAAAAI-ZBYUQBLASA-N 2 2 364.450 0.067 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)O1 ZINC001159245601 1223121839 /nfs/dbraw/zinc/12/18/39/1223121839.db2.gz MOBIMLZEBAAAAI-ZBYUQBLASA-N 2 2 364.450 0.067 20 0 FCADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159282762 1223122802 /nfs/dbraw/zinc/12/28/02/1223122802.db2.gz IBYBCKZNXPFATO-YSVLISHTSA-N 2 2 357.414 0.038 20 0 FCADLP Cc1cccc(N2CCC[C@]3(CN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])CCO3)C2)c1 ZINC001159299124 1223123686 /nfs/dbraw/zinc/12/36/86/1223123686.db2.gz QHANMCZNNZNWEZ-CMKODMSKSA-N 2 2 358.486 0.740 20 0 FCADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H]2CCCO[C@H]12 ZINC001159424797 1223127033 /nfs/dbraw/zinc/12/70/33/1223127033.db2.gz MAXIPDKWPUZEKE-MLYOOKFZSA-N 2 2 374.485 0.650 20 0 FCADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H]2CCCO[C@H]12 ZINC001159424797 1223127035 /nfs/dbraw/zinc/12/70/35/1223127035.db2.gz MAXIPDKWPUZEKE-MLYOOKFZSA-N 2 2 374.485 0.650 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)[C@H]2C ZINC001159632994 1223131946 /nfs/dbraw/zinc/13/19/46/1223131946.db2.gz DVKVASBCFUYOKB-DOXZYTNZSA-N 3 2 360.506 0.578 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)[C@H]2C ZINC001159632994 1223131949 /nfs/dbraw/zinc/13/19/49/1223131949.db2.gz DVKVASBCFUYOKB-DOXZYTNZSA-N 3 2 360.506 0.578 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001159965290 1223140871 /nfs/dbraw/zinc/14/08/71/1223140871.db2.gz BFUCYROHYYVBMQ-JPLJXNOCSA-N 2 2 374.485 0.685 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001159965289 1223140885 /nfs/dbraw/zinc/14/08/85/1223140885.db2.gz BFUCYROHYYVBMQ-GNBUJSLZSA-N 2 2 374.485 0.685 20 0 FCADLP Cc1ccc(N2C[C@]3(CCN(C(=O)[C@@]45C[NH2+]C[C@@H]4CC[NH2+]5)C3)CC2=O)s1 ZINC001160094525 1223145154 /nfs/dbraw/zinc/14/51/54/1223145154.db2.gz OIHANPCVNFDRIG-GDIGMMSISA-N 2 2 374.510 0.963 20 0 FCADLP CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001160270635 1223152556 /nfs/dbraw/zinc/15/25/56/1223152556.db2.gz GUUBWYFVEKZPMP-OAHLLOKOSA-N 2 2 366.506 0.191 20 0 FCADLP CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001160274324 1223152595 /nfs/dbraw/zinc/15/25/95/1223152595.db2.gz OAQSUWUZPOAXOW-ULQDDVLXSA-N 2 2 356.470 0.683 20 0 FCADLP CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336757 1223155743 /nfs/dbraw/zinc/15/57/43/1223155743.db2.gz LKTSUOYHWQYZEP-HUUCEWRRSA-N 2 2 365.478 0.540 20 0 FCADLP CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336757 1223155746 /nfs/dbraw/zinc/15/57/46/1223155746.db2.gz LKTSUOYHWQYZEP-HUUCEWRRSA-N 2 2 365.478 0.540 20 0 FCADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160461847 1223160563 /nfs/dbraw/zinc/16/05/63/1223160563.db2.gz YEQQAIFMZMYXKN-KRWDZBQOSA-N 2 2 360.458 0.159 20 0 FCADLP COC(=O)c1ccc(CN2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)cc1 ZINC001160569896 1223165541 /nfs/dbraw/zinc/16/55/41/1223165541.db2.gz XOXXRWIJVNORQP-XLIONFOSSA-N 2 2 372.469 0.069 20 0 FCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661216 1223167888 /nfs/dbraw/zinc/16/78/88/1223167888.db2.gz NRWBALLLESXKSU-ZIFCJYIRSA-N 2 2 369.465 0.667 20 0 FCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661216 1223167890 /nfs/dbraw/zinc/16/78/90/1223167890.db2.gz NRWBALLLESXKSU-ZIFCJYIRSA-N 2 2 369.465 0.667 20 0 FCADLP O=C(N1CCc2[nH+]ccn2CC1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001160760269 1223171305 /nfs/dbraw/zinc/17/13/05/1223171305.db2.gz JBZUDBOSIGJNIK-JXFKEZNVSA-N 2 2 351.454 0.994 20 0 FCADLP CCOC(=O)c1cnc2n1CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)CC2 ZINC001160806667 1223174858 /nfs/dbraw/zinc/17/48/58/1223174858.db2.gz WPPICXTUQYDMNY-OAHLLOKOSA-N 2 2 371.441 0.717 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001160958606 1223181849 /nfs/dbraw/zinc/18/18/49/1223181849.db2.gz BEOLUTYFJXTWGY-SNPRPXQTSA-N 2 2 358.446 0.620 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC001161085323 1223184776 /nfs/dbraw/zinc/18/47/76/1223184776.db2.gz SYXRCPSWYNDYCU-PYIOCPRISA-N 2 2 361.417 0.491 20 0 FCADLP CCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+])C1C[NH+](C)C1 ZINC001161138351 1223186813 /nfs/dbraw/zinc/18/68/13/1223186813.db2.gz SPMDHVZMZJBFER-KRWDZBQOSA-N 2 2 357.458 0.316 20 0 FCADLP Cc1cc(F)cc(CN(C(=O)CN2CC[NH2+]CC2=O)C2CC[NH2+]CC2)c1 ZINC001161279670 1223193722 /nfs/dbraw/zinc/19/37/22/1223193722.db2.gz JYEZFRZZOXXPPM-UHFFFAOYSA-N 2 2 362.449 0.647 20 0 FCADLP O=C(N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161316443 1223195791 /nfs/dbraw/zinc/19/57/91/1223195791.db2.gz KSVGXPKBRCNUCB-MNVSYLFESA-N 2 2 372.444 0.724 20 0 FCADLP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377868 1223197010 /nfs/dbraw/zinc/19/70/10/1223197010.db2.gz IZPXHXAKFJWQEX-MOPGFXCFSA-N 3 2 360.502 0.815 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379925 1223197747 /nfs/dbraw/zinc/19/77/47/1223197747.db2.gz RWBVBTIJDXLOEL-QFBILLFUSA-N 4 2 363.550 0.474 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379925 1223197749 /nfs/dbraw/zinc/19/77/49/1223197749.db2.gz RWBVBTIJDXLOEL-QFBILLFUSA-N 4 2 363.550 0.474 20 0 FCADLP [NH3+][C@H](C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380790 1223197811 /nfs/dbraw/zinc/19/78/11/1223197811.db2.gz VNRYHWDNAKWISX-IRXDYDNUSA-N 3 2 366.506 0.271 20 0 FCADLP COCCC1(CNc2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)CC[NH2+]CC1 ZINC001161505120 1223202529 /nfs/dbraw/zinc/20/25/29/1223202529.db2.gz NJGLTXRUURRTLZ-AWEZNQCLSA-N 2 2 362.478 0.749 20 0 FCADLP COCCC1(CNc2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)CC[NH2+]CC1 ZINC001161505120 1223202533 /nfs/dbraw/zinc/20/25/33/1223202533.db2.gz NJGLTXRUURRTLZ-AWEZNQCLSA-N 2 2 362.478 0.749 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]cn1 ZINC001161587858 1223205463 /nfs/dbraw/zinc/20/54/63/1223205463.db2.gz QHYJMPANMNHOSG-OAHLLOKOSA-N 2 2 367.457 0.780 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC([NH3+])(c3cccnc3)CC2)nc[nH+]1 ZINC001161587858 1223205466 /nfs/dbraw/zinc/20/54/66/1223205466.db2.gz QHYJMPANMNHOSG-OAHLLOKOSA-N 2 2 367.457 0.780 20 0 FCADLP O=S1(=O)CCN(c2cc[nH+]c(CNc3ncc4c(n3)CC[NH2+]C4)c2)CC1 ZINC001162065658 1223209954 /nfs/dbraw/zinc/20/99/54/1223209954.db2.gz MKQFHDRUSUCDBF-UHFFFAOYSA-N 2 2 374.470 0.364 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185502 1223211126 /nfs/dbraw/zinc/21/11/26/1223211126.db2.gz RCESWQPCDMLYBQ-HNNXBMFYSA-N 2 2 364.490 0.543 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)CC1 ZINC001162185502 1223211132 /nfs/dbraw/zinc/21/11/32/1223211132.db2.gz RCESWQPCDMLYBQ-HNNXBMFYSA-N 2 2 364.490 0.543 20 0 FCADLP O=C(NCCC[NH2+]CC[C@@H]1CCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996034 1223223240 /nfs/dbraw/zinc/22/32/40/1223223240.db2.gz JWYRDWSRFINGMS-KSZLIROESA-N 2 2 369.506 0.531 20 0 FCADLP Cc1nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc(N2CCOCC2)[nH+]1 ZINC001163111530 1223226251 /nfs/dbraw/zinc/22/62/51/1223226251.db2.gz QQZSSXYDMVAHON-UHFFFAOYSA-N 2 2 371.445 0.284 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)[nH+]cn2)CC1 ZINC001163645222 1223233389 /nfs/dbraw/zinc/23/33/89/1223233389.db2.gz SQFKNXYYRUDWFV-HNAYVOBHSA-N 2 2 374.489 0.891 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nc[nH+]2)CC1 ZINC001163645222 1223233391 /nfs/dbraw/zinc/23/33/91/1223233391.db2.gz SQFKNXYYRUDWFV-HNAYVOBHSA-N 2 2 374.489 0.891 20 0 FCADLP CCOC(=O)[C@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]1C[NH2+]CC2 ZINC001165172159 1223243119 /nfs/dbraw/zinc/24/31/19/1223243119.db2.gz HOMNPMQFGJDMKQ-OXJNMPFZSA-N 3 2 373.501 0.812 20 0 FCADLP Cc1ccnc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001165711145 1223254695 /nfs/dbraw/zinc/25/46/95/1223254695.db2.gz GMBIOZYIJWYQAY-HZPDHXFCSA-N 2 2 361.490 0.880 20 0 FCADLP Cc1ccnc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001165711145 1223254698 /nfs/dbraw/zinc/25/46/98/1223254698.db2.gz GMBIOZYIJWYQAY-HZPDHXFCSA-N 2 2 361.490 0.880 20 0 FCADLP Cc1noc([C@]23COC[C@H]2CN(c2ccc(N4CC[NH2+]CC4)c[nH+]2)C3)n1 ZINC001165854046 1223258681 /nfs/dbraw/zinc/25/86/81/1223258681.db2.gz LLMGQWBBLDSUJS-RDTXWAMCSA-N 2 2 356.430 0.587 20 0 FCADLP CN(C[C@H]1CCN1C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977916275 1248671648 /nfs/dbraw/zinc/67/16/48/1248671648.db2.gz IHOXPPZUKTWYKD-BZUAXINKSA-N 2 2 359.474 0.914 20 0 FCADLP CN(C[C@H]1CCN1C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977916275 1248671657 /nfs/dbraw/zinc/67/16/57/1248671657.db2.gz IHOXPPZUKTWYKD-BZUAXINKSA-N 2 2 359.474 0.914 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205217102 1223318224 /nfs/dbraw/zinc/31/82/24/1223318224.db2.gz RXWQNIRYYJRHAM-QZTJIDSGSA-N 2 2 358.442 0.258 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205217102 1223318226 /nfs/dbraw/zinc/31/82/26/1223318226.db2.gz RXWQNIRYYJRHAM-QZTJIDSGSA-N 2 2 358.442 0.258 20 0 FCADLP COCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001205512485 1223329653 /nfs/dbraw/zinc/32/96/53/1223329653.db2.gz URCXNLPWHIOWHS-DLBZAZTESA-N 2 2 362.474 0.928 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206525603 1223360962 /nfs/dbraw/zinc/36/09/62/1223360962.db2.gz UNWRKXNOQYEVPZ-RDJZCZTQSA-N 3 2 365.522 0.455 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206525603 1223360966 /nfs/dbraw/zinc/36/09/66/1223360966.db2.gz UNWRKXNOQYEVPZ-RDJZCZTQSA-N 3 2 365.522 0.455 20 0 FCADLP Cc1[nH+]cc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)n1C ZINC001206792360 1223370605 /nfs/dbraw/zinc/37/06/05/1223370605.db2.gz AISNMDAIPWYVSW-INIZCTEOSA-N 2 2 362.474 0.958 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919562 1223387997 /nfs/dbraw/zinc/38/79/97/1223387997.db2.gz YOPSWEOMPNRROU-RBSFLKMASA-N 2 2 365.478 0.320 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919562 1223388000 /nfs/dbraw/zinc/38/80/00/1223388000.db2.gz YOPSWEOMPNRROU-RBSFLKMASA-N 2 2 365.478 0.320 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001691747777 1223440517 /nfs/dbraw/zinc/44/05/17/1223440517.db2.gz DVCUXMVAUFRGIJ-QLFBSQMISA-N 2 2 362.540 0.091 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001691747777 1223440519 /nfs/dbraw/zinc/44/05/19/1223440519.db2.gz DVCUXMVAUFRGIJ-QLFBSQMISA-N 2 2 362.540 0.091 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)o1 ZINC001207547033 1223454539 /nfs/dbraw/zinc/45/45/39/1223454539.db2.gz ISZAPFUFPDCKJW-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)o1 ZINC001207547033 1223454541 /nfs/dbraw/zinc/45/45/41/1223454541.db2.gz ISZAPFUFPDCKJW-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545134 1223454550 /nfs/dbraw/zinc/45/45/50/1223454550.db2.gz HALPKDNMOPJYKU-GDBMZVCRSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545134 1223454551 /nfs/dbraw/zinc/45/45/51/1223454551.db2.gz HALPKDNMOPJYKU-GDBMZVCRSA-N 2 2 362.474 0.817 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001207758064 1223477406 /nfs/dbraw/zinc/47/74/06/1223477406.db2.gz SUDBBZGXWRKFCR-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001207758064 1223477409 /nfs/dbraw/zinc/47/74/09/1223477409.db2.gz SUDBBZGXWRKFCR-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001207758064 1223477413 /nfs/dbraw/zinc/47/74/13/1223477413.db2.gz SUDBBZGXWRKFCR-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001207758064 1223477417 /nfs/dbraw/zinc/47/74/17/1223477417.db2.gz SUDBBZGXWRKFCR-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001207758063 1223477500 /nfs/dbraw/zinc/47/75/00/1223477500.db2.gz SUDBBZGXWRKFCR-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001207758063 1223477506 /nfs/dbraw/zinc/47/75/06/1223477506.db2.gz SUDBBZGXWRKFCR-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001207758063 1223477510 /nfs/dbraw/zinc/47/75/10/1223477510.db2.gz SUDBBZGXWRKFCR-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001207758063 1223477513 /nfs/dbraw/zinc/47/75/13/1223477513.db2.gz SUDBBZGXWRKFCR-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784425 1223479339 /nfs/dbraw/zinc/47/93/39/1223479339.db2.gz JPUQMJJRGYKGDY-RHSMWYFYSA-N 2 2 357.462 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784425 1223479342 /nfs/dbraw/zinc/47/93/42/1223479342.db2.gz JPUQMJJRGYKGDY-RHSMWYFYSA-N 2 2 357.462 0.673 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208404761 1223539411 /nfs/dbraw/zinc/53/94/11/1223539411.db2.gz BGWQKIRIJLGNPC-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208404761 1223539414 /nfs/dbraw/zinc/53/94/14/1223539414.db2.gz BGWQKIRIJLGNPC-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208404761 1223539418 /nfs/dbraw/zinc/53/94/18/1223539418.db2.gz BGWQKIRIJLGNPC-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208404761 1223539421 /nfs/dbraw/zinc/53/94/21/1223539421.db2.gz BGWQKIRIJLGNPC-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208444975 1223546925 /nfs/dbraw/zinc/54/69/25/1223546925.db2.gz MTLXPSKNNWGXTJ-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208444975 1223546929 /nfs/dbraw/zinc/54/69/29/1223546929.db2.gz MTLXPSKNNWGXTJ-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC(C)n1nccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496052 1223550622 /nfs/dbraw/zinc/55/06/22/1223550622.db2.gz IFRLVOGZRYTNDE-HUUCEWRRSA-N 2 2 364.494 0.791 20 0 FCADLP CC(C)n1nccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496052 1223550628 /nfs/dbraw/zinc/55/06/28/1223550628.db2.gz IFRLVOGZRYTNDE-HUUCEWRRSA-N 2 2 364.494 0.791 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208610000 1223562748 /nfs/dbraw/zinc/56/27/48/1223562748.db2.gz XUAQTPNJEKPTAY-DZJNRPSUSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208610000 1223562752 /nfs/dbraw/zinc/56/27/52/1223562752.db2.gz XUAQTPNJEKPTAY-DZJNRPSUSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208610000 1223562756 /nfs/dbraw/zinc/56/27/56/1223562756.db2.gz XUAQTPNJEKPTAY-DZJNRPSUSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[NH+](C[C@H]3CCC[N@@H+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208610000 1223562760 /nfs/dbraw/zinc/56/27/60/1223562760.db2.gz XUAQTPNJEKPTAY-DZJNRPSUSA-N 2 2 361.490 0.724 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H]3CCC[NH+](C)C3)CC2)C1 ZINC001208613050 1223563119 /nfs/dbraw/zinc/56/31/19/1223563119.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208613050 1223563138 /nfs/dbraw/zinc/56/31/38/1223563138.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 3 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C[C@H]3CCC[NH+](C)C3)CC2)C1 ZINC001208613050 1223563146 /nfs/dbraw/zinc/56/31/46/1223563146.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C[C@H]3CCC[NH+](C)C3)CC2)C1 ZINC001208613050 1223563150 /nfs/dbraw/zinc/56/31/50/1223563150.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(C[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001208613050 1223563155 /nfs/dbraw/zinc/56/31/55/1223563155.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 2 2 366.550 0.831 20 0 FCADLP CN(C)C(=O)C[NH+]1CCOCC2(CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208613050 1223563161 /nfs/dbraw/zinc/56/31/61/1223563161.db2.gz KWSDYYIQZXPMAY-SFHVURJKSA-N 2 2 366.550 0.831 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616126 1223564197 /nfs/dbraw/zinc/56/41/97/1223564197.db2.gz XUAQTPNJEKPTAY-DZOHQFGASA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616126 1223564204 /nfs/dbraw/zinc/56/42/04/1223564204.db2.gz XUAQTPNJEKPTAY-DZOHQFGASA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616126 1223564209 /nfs/dbraw/zinc/56/42/09/1223564209.db2.gz XUAQTPNJEKPTAY-DZOHQFGASA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616126 1223564215 /nfs/dbraw/zinc/56/42/15/1223564215.db2.gz XUAQTPNJEKPTAY-DZOHQFGASA-N 2 2 361.490 0.724 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C)C2 ZINC001208629355 1223566177 /nfs/dbraw/zinc/56/61/77/1223566177.db2.gz QACIMNZVZNZNDS-UKPHBRMFSA-N 2 2 361.490 0.715 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C)C2 ZINC001208629355 1223566180 /nfs/dbraw/zinc/56/61/80/1223566180.db2.gz QACIMNZVZNZNDS-UKPHBRMFSA-N 2 2 361.490 0.715 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208677181 1223569971 /nfs/dbraw/zinc/56/99/71/1223569971.db2.gz XCAJEVUVQAKIEG-JFIYKMOQSA-N 2 2 360.502 0.732 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208677181 1223569978 /nfs/dbraw/zinc/56/99/78/1223569978.db2.gz XCAJEVUVQAKIEG-JFIYKMOQSA-N 2 2 360.502 0.732 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208677181 1223569987 /nfs/dbraw/zinc/56/99/87/1223569987.db2.gz XCAJEVUVQAKIEG-JFIYKMOQSA-N 2 2 360.502 0.732 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208677181 1223569993 /nfs/dbraw/zinc/56/99/93/1223569993.db2.gz XCAJEVUVQAKIEG-JFIYKMOQSA-N 2 2 360.502 0.732 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208995528 1223590448 /nfs/dbraw/zinc/59/04/48/1223590448.db2.gz LJWHWYCPXHPMJJ-BZUAXINKSA-N 2 2 364.494 0.978 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208995528 1223590451 /nfs/dbraw/zinc/59/04/51/1223590451.db2.gz LJWHWYCPXHPMJJ-BZUAXINKSA-N 2 2 364.494 0.978 20 0 FCADLP CCN(CC)C(=O)CN1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276609644 1223592856 /nfs/dbraw/zinc/59/28/56/1223592856.db2.gz LGKKHEQPSFOENS-LJQANCHMSA-N 2 2 368.522 0.357 20 0 FCADLP CCN(CC)C(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276609644 1223592859 /nfs/dbraw/zinc/59/28/59/1223592859.db2.gz LGKKHEQPSFOENS-LJQANCHMSA-N 2 2 368.522 0.357 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609318 1223593486 /nfs/dbraw/zinc/59/34/86/1223593486.db2.gz IZXOYRLCGSSIRY-HNAYVOBHSA-N 2 2 367.490 0.931 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CC(=O)N(C[C@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609318 1223593490 /nfs/dbraw/zinc/59/34/90/1223593490.db2.gz IZXOYRLCGSSIRY-HNAYVOBHSA-N 2 2 367.490 0.931 20 0 FCADLP O=C1C[C@@]2(CCCN(CC[NH+]3CCCC3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276611372 1223595301 /nfs/dbraw/zinc/59/53/01/1223595301.db2.gz LSSXMTJKXYELPE-LJQANCHMSA-N 2 2 359.474 0.820 20 0 FCADLP CC1(C)OC[C@@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001276616803 1223598915 /nfs/dbraw/zinc/59/89/15/1223598915.db2.gz AQAHPFKHLNGZBB-CRAIPNDOSA-N 2 2 364.446 0.338 20 0 FCADLP CC1(C)OC[C@@H](C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)O1 ZINC001276616803 1223598921 /nfs/dbraw/zinc/59/89/21/1223598921.db2.gz AQAHPFKHLNGZBB-CRAIPNDOSA-N 2 2 364.446 0.338 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(CC[NH+]1CCOCC1)CCC2 ZINC001209289373 1223608076 /nfs/dbraw/zinc/60/80/76/1223608076.db2.gz BEWIMWLXGIJKJN-UHFFFAOYSA-N 2 2 363.506 0.623 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](CCN1CCOCC1)CCC2 ZINC001209289373 1223608078 /nfs/dbraw/zinc/60/80/78/1223608078.db2.gz BEWIMWLXGIJKJN-UHFFFAOYSA-N 2 2 363.506 0.623 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CCN1CCOCC1)CCC2 ZINC001209289373 1223608080 /nfs/dbraw/zinc/60/80/80/1223608080.db2.gz BEWIMWLXGIJKJN-UHFFFAOYSA-N 2 2 363.506 0.623 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477284 1223622817 /nfs/dbraw/zinc/62/28/17/1223622817.db2.gz DBUQWGUDISAZGE-IAGOWNOFSA-N 2 2 368.522 0.452 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477284 1223622818 /nfs/dbraw/zinc/62/28/18/1223622818.db2.gz DBUQWGUDISAZGE-IAGOWNOFSA-N 2 2 368.522 0.452 20 0 FCADLP Cc1n[nH]cc1C[N@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001209555539 1223630924 /nfs/dbraw/zinc/63/09/24/1223630924.db2.gz FLTPMSSIVJKXMP-UHFFFAOYSA-N 2 2 368.445 0.636 20 0 FCADLP Cc1n[nH]cc1C[N@@H+]1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001209555539 1223630927 /nfs/dbraw/zinc/63/09/27/1223630927.db2.gz FLTPMSSIVJKXMP-UHFFFAOYSA-N 2 2 368.445 0.636 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032823 1223663557 /nfs/dbraw/zinc/66/35/57/1223663557.db2.gz AYVBVOTZLKECAB-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032823 1223663560 /nfs/dbraw/zinc/66/35/60/1223663560.db2.gz AYVBVOTZLKECAB-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032823 1223663563 /nfs/dbraw/zinc/66/35/63/1223663563.db2.gz AYVBVOTZLKECAB-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210032823 1223663568 /nfs/dbraw/zinc/66/35/68/1223663568.db2.gz AYVBVOTZLKECAB-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241744 1223775736 /nfs/dbraw/zinc/77/57/36/1223775736.db2.gz MFDYLEMZQYFZQW-BZUAXINKSA-N 2 2 363.462 0.005 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241744 1223775738 /nfs/dbraw/zinc/77/57/38/1223775738.db2.gz MFDYLEMZQYFZQW-BZUAXINKSA-N 2 2 363.462 0.005 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346428 1223788581 /nfs/dbraw/zinc/78/85/81/1223788581.db2.gz MEHWLHOJEFBNRX-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346428 1223788585 /nfs/dbraw/zinc/78/85/85/1223788585.db2.gz MEHWLHOJEFBNRX-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342332 1223788846 /nfs/dbraw/zinc/78/88/46/1223788846.db2.gz ROPOVMYMVCDOQB-RRFJBIMHSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342332 1223788849 /nfs/dbraw/zinc/78/88/49/1223788849.db2.gz ROPOVMYMVCDOQB-RRFJBIMHSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001213370926 1223791155 /nfs/dbraw/zinc/79/11/55/1223791155.db2.gz PWRZAIUJTGXEDN-GVDBMIGSSA-N 2 2 365.478 0.318 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001213370926 1223791157 /nfs/dbraw/zinc/79/11/57/1223791157.db2.gz PWRZAIUJTGXEDN-GVDBMIGSSA-N 2 2 365.478 0.318 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001213370926 1223791158 /nfs/dbraw/zinc/79/11/58/1223791158.db2.gz PWRZAIUJTGXEDN-GVDBMIGSSA-N 2 2 365.478 0.318 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001213370926 1223791160 /nfs/dbraw/zinc/79/11/60/1223791160.db2.gz PWRZAIUJTGXEDN-GVDBMIGSSA-N 2 2 365.478 0.318 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368778 1223791398 /nfs/dbraw/zinc/79/13/98/1223791398.db2.gz IDEZUJFWAFZFLS-IAGOWNOFSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368778 1223791401 /nfs/dbraw/zinc/79/14/01/1223791401.db2.gz IDEZUJFWAFZFLS-IAGOWNOFSA-N 2 2 366.506 0.012 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1OC ZINC001213588648 1223818546 /nfs/dbraw/zinc/81/85/46/1223818546.db2.gz NMLQOQOYKQZGJC-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1OC ZINC001213588648 1223818548 /nfs/dbraw/zinc/81/85/48/1223818548.db2.gz NMLQOQOYKQZGJC-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001213588648 1223818549 /nfs/dbraw/zinc/81/85/49/1223818549.db2.gz NMLQOQOYKQZGJC-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001213588648 1223818551 /nfs/dbraw/zinc/81/85/51/1223818551.db2.gz NMLQOQOYKQZGJC-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638564 1223826067 /nfs/dbraw/zinc/82/60/67/1223826067.db2.gz URPRTWQTJGKXAS-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638564 1223826069 /nfs/dbraw/zinc/82/60/69/1223826069.db2.gz URPRTWQTJGKXAS-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001213655635 1223828745 /nfs/dbraw/zinc/82/87/45/1223828745.db2.gz WCKXALKFZADFQL-IAGOWNOFSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001213655635 1223828747 /nfs/dbraw/zinc/82/87/47/1223828747.db2.gz WCKXALKFZADFQL-IAGOWNOFSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730334 1223840290 /nfs/dbraw/zinc/84/02/90/1223840290.db2.gz LPSDMTJWKPIVLD-USXIJHARSA-N 2 2 365.478 0.240 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730334 1223840293 /nfs/dbraw/zinc/84/02/93/1223840293.db2.gz LPSDMTJWKPIVLD-USXIJHARSA-N 2 2 365.478 0.240 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747062 1223843330 /nfs/dbraw/zinc/84/33/30/1223843330.db2.gz CEDDELSAGFKGHI-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747062 1223843334 /nfs/dbraw/zinc/84/33/34/1223843334.db2.gz CEDDELSAGFKGHI-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801959 1223852059 /nfs/dbraw/zinc/85/20/59/1223852059.db2.gz IBSKKWIPNONXAX-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801852 1223852268 /nfs/dbraw/zinc/85/22/68/1223852268.db2.gz FJMZHFMYBBFIDD-IAGOWNOFSA-N 2 2 360.462 0.144 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801852 1223852269 /nfs/dbraw/zinc/85/22/69/1223852269.db2.gz FJMZHFMYBBFIDD-IAGOWNOFSA-N 2 2 360.462 0.144 20 0 FCADLP Cn1cnnc1CN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705750 1223858272 /nfs/dbraw/zinc/85/82/72/1223858272.db2.gz SOIYTJNAEROIGL-QGZVFWFLSA-N 2 2 357.418 0.053 20 0 FCADLP Cn1cnnc1CN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705750 1223858274 /nfs/dbraw/zinc/85/82/74/1223858274.db2.gz SOIYTJNAEROIGL-QGZVFWFLSA-N 2 2 357.418 0.053 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213860086 1223863076 /nfs/dbraw/zinc/86/30/76/1223863076.db2.gz SAXMJZBGJIDHNG-NUEKZKHPSA-N 2 2 365.478 0.312 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213860086 1223863079 /nfs/dbraw/zinc/86/30/79/1223863079.db2.gz SAXMJZBGJIDHNG-NUEKZKHPSA-N 2 2 365.478 0.312 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863225 1223863890 /nfs/dbraw/zinc/86/38/90/1223863890.db2.gz HXCJRMUMSFBDGG-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863225 1223863893 /nfs/dbraw/zinc/86/38/93/1223863893.db2.gz HXCJRMUMSFBDGG-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214812128 1223944924 /nfs/dbraw/zinc/94/49/24/1223944924.db2.gz UBTNIKSOUGWOKW-CZUORRHYSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214812128 1223944925 /nfs/dbraw/zinc/94/49/25/1223944925.db2.gz UBTNIKSOUGWOKW-CZUORRHYSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001214967205 1223959986 /nfs/dbraw/zinc/95/99/86/1223959986.db2.gz SJDORTVHVVPHPC-QIIPPGSGSA-N 2 2 368.441 0.871 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006606 1223963487 /nfs/dbraw/zinc/96/34/87/1223963487.db2.gz XXNYGTDVHMNTPP-BZUAXINKSA-N 2 2 361.490 0.750 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ncnn4CCF)C[C@H]32)CC[N@@H+]1C ZINC000978176509 1248716796 /nfs/dbraw/zinc/71/67/96/1248716796.db2.gz GGVVVZFGQCFOOH-QCODTGAPSA-N 2 2 364.469 0.382 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ncnn4CCF)C[C@H]32)CC[N@H+]1C ZINC000978176509 1248716800 /nfs/dbraw/zinc/71/68/00/1248716800.db2.gz GGVVVZFGQCFOOH-QCODTGAPSA-N 2 2 364.469 0.382 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncnn4CCF)C[C@H]32)CC[NH+]1C ZINC000978176509 1248716805 /nfs/dbraw/zinc/71/68/05/1248716805.db2.gz GGVVVZFGQCFOOH-QCODTGAPSA-N 2 2 364.469 0.382 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncnn4CCF)C[C@H]32)CC[NH+]1C ZINC000978176509 1248716808 /nfs/dbraw/zinc/71/68/08/1248716808.db2.gz GGVVVZFGQCFOOH-QCODTGAPSA-N 2 2 364.469 0.382 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001215681112 1224012532 /nfs/dbraw/zinc/01/25/32/1224012532.db2.gz SMADSUSPIOBUOL-YRGRVCCFSA-N 2 2 357.418 0.206 20 0 FCADLP C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)c1ccco1 ZINC001216065499 1224032624 /nfs/dbraw/zinc/03/26/24/1224032624.db2.gz QSGOUGKOLIPPJO-HZSPNIEDSA-N 2 2 359.430 0.859 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216078154 1224033362 /nfs/dbraw/zinc/03/33/62/1224033362.db2.gz YFJNCESXJXTOOV-QLFBSQMISA-N 2 2 365.478 0.320 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185063 1224038081 /nfs/dbraw/zinc/03/80/81/1224038081.db2.gz LEHKADWAKKCFLG-FRFSOERESA-N 2 2 359.430 0.325 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185540 1224038119 /nfs/dbraw/zinc/03/81/19/1224038119.db2.gz XLFPATRDMJHASU-RHSMWYFYSA-N 2 2 370.457 0.842 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)C1 ZINC001216565782 1224055666 /nfs/dbraw/zinc/05/56/66/1224055666.db2.gz NSMDPRIRHAUQGA-UXIGCNINSA-N 2 2 371.445 0.514 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC001216630440 1224059390 /nfs/dbraw/zinc/05/93/90/1224059390.db2.gz GALJHADDCBGSBX-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP Cc1ccnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985492121 1248940751 /nfs/dbraw/zinc/94/07/51/1248940751.db2.gz KZSYKUWLVFABRF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ccnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985492121 1248940760 /nfs/dbraw/zinc/94/07/60/1248940760.db2.gz KZSYKUWLVFABRF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ccnc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985492121 1248940764 /nfs/dbraw/zinc/94/07/64/1248940764.db2.gz KZSYKUWLVFABRF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ccnc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985492121 1248940774 /nfs/dbraw/zinc/94/07/74/1248940774.db2.gz KZSYKUWLVFABRF-NVXWUHKLSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985824897 1248981664 /nfs/dbraw/zinc/98/16/64/1248981664.db2.gz VBPQYDQUJWKWNO-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000985824897 1248981680 /nfs/dbraw/zinc/98/16/80/1248981680.db2.gz VBPQYDQUJWKWNO-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987516669 1249071170 /nfs/dbraw/zinc/07/11/70/1249071170.db2.gz JQCFNXULXGLRSW-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000987516669 1249071183 /nfs/dbraw/zinc/07/11/83/1249071183.db2.gz JQCFNXULXGLRSW-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993575602 1249718910 /nfs/dbraw/zinc/71/89/10/1249718910.db2.gz FOUPAZBPFZZLCP-ZIAGYGMSSA-N 2 2 365.453 0.675 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000993579288 1249725936 /nfs/dbraw/zinc/72/59/36/1249725936.db2.gz ISCVYXMXLFDXMH-IAGOWNOFSA-N 2 2 361.490 0.971 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993584209 1249737655 /nfs/dbraw/zinc/73/76/55/1249737655.db2.gz OOYSAHRJWLIDMD-HZPDHXFCSA-N 2 2 370.457 0.836 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(F)F ZINC000993591093 1249751616 /nfs/dbraw/zinc/75/16/16/1249751616.db2.gz KHZQYPNTUBLTLM-JHJVBQTASA-N 2 2 369.416 0.580 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(C)(F)F ZINC000993591093 1249751623 /nfs/dbraw/zinc/75/16/23/1249751623.db2.gz KHZQYPNTUBLTLM-JHJVBQTASA-N 2 2 369.416 0.580 20 0 FCADLP C/C=C(/C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993597654 1249765689 /nfs/dbraw/zinc/76/56/89/1249765689.db2.gz NZWDSQYTTSGIHH-YDXJYSAYSA-N 2 2 359.474 0.749 20 0 FCADLP C/C=C(/C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993597654 1249765702 /nfs/dbraw/zinc/76/57/02/1249765702.db2.gz NZWDSQYTTSGIHH-YDXJYSAYSA-N 2 2 359.474 0.749 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(C)(C)F ZINC000993605913 1249792201 /nfs/dbraw/zinc/79/22/01/1249792201.db2.gz GVFMTDLZXDZYSN-MGPQQGTHSA-N 2 2 365.453 0.531 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(C)(C)F ZINC000993605913 1249792210 /nfs/dbraw/zinc/79/22/10/1249792210.db2.gz GVFMTDLZXDZYSN-MGPQQGTHSA-N 2 2 365.453 0.531 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C(C)(F)F ZINC000993608247 1249799974 /nfs/dbraw/zinc/79/99/74/1249799974.db2.gz WQMCPLQYGIRQSJ-CHWSQXEVSA-N 2 2 369.416 0.582 20 0 FCADLP 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1252126533 /nfs/dbraw/zinc/12/65/33/1252126533.db2.gz TUEXMQOUVDDOHO-HLLBOEOZSA-N 2 2 364.494 0.659 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000999497946 1252126537 /nfs/dbraw/zinc/12/65/37/1252126537.db2.gz TUEXMQOUVDDOHO-HLLBOEOZSA-N 2 2 364.494 0.659 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC000999499060 1252126742 /nfs/dbraw/zinc/12/67/42/1252126742.db2.gz YWFMGNVBPXIPOH-VHDGCEQUSA-N 2 2 363.462 0.747 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC000999499060 1252126748 /nfs/dbraw/zinc/12/67/48/1252126748.db2.gz YWFMGNVBPXIPOH-VHDGCEQUSA-N 2 2 363.462 0.747 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999497960 1252128091 /nfs/dbraw/zinc/12/80/91/1252128091.db2.gz TXBHARTYWAYEPB-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999497960 1252128093 /nfs/dbraw/zinc/12/80/93/1252128093.db2.gz TXBHARTYWAYEPB-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@@H+]1C ZINC001002242636 1252485761 /nfs/dbraw/zinc/48/57/61/1252485761.db2.gz JYQMQRTVPUAROD-BPLDGKMQSA-N 2 2 359.474 0.744 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@H+]1C ZINC001002242636 1252485767 /nfs/dbraw/zinc/48/57/67/1252485767.db2.gz JYQMQRTVPUAROD-BPLDGKMQSA-N 2 2 359.474 0.744 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001002829584 1252691600 /nfs/dbraw/zinc/69/16/00/1252691600.db2.gz HCIPKBRDACKJBI-IDCNUPLLSA-N 2 2 371.485 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001003150319 1252792159 /nfs/dbraw/zinc/79/21/59/1252792159.db2.gz HVIKEJVOZUWCBE-HSMRXVHUSA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001003150319 1252792169 /nfs/dbraw/zinc/79/21/69/1252792169.db2.gz HVIKEJVOZUWCBE-HSMRXVHUSA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC001003155684 1252794016 /nfs/dbraw/zinc/79/40/16/1252794016.db2.gz UYYLSTGMAUNOMN-HHARLNAUSA-N 2 2 359.474 0.862 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC001003155684 1252794025 /nfs/dbraw/zinc/79/40/25/1252794025.db2.gz UYYLSTGMAUNOMN-HHARLNAUSA-N 2 2 359.474 0.862 20 0 FCADLP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001003658465 1253037490 /nfs/dbraw/zinc/03/74/90/1253037490.db2.gz HLSWTIOLDXXBNL-VQHPVUNQSA-N 2 2 371.485 0.789 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003745532 1253089182 /nfs/dbraw/zinc/08/91/82/1253089182.db2.gz JNAPGHVZKTYWIK-OIISXLGYSA-N 2 2 359.474 0.553 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001003863401 1253126846 /nfs/dbraw/zinc/12/68/46/1253126846.db2.gz SKGCSZHHPGSXIU-WCXIOVBPSA-N 2 2 359.474 0.924 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001003863401 1253126851 /nfs/dbraw/zinc/12/68/51/1253126851.db2.gz SKGCSZHHPGSXIU-WCXIOVBPSA-N 2 2 359.474 0.924 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001003863957 1253127381 /nfs/dbraw/zinc/12/73/81/1253127381.db2.gz YRCYDMRCIQQREG-SIXLDLHFSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001003863957 1253127384 /nfs/dbraw/zinc/12/73/84/1253127384.db2.gz YRCYDMRCIQQREG-SIXLDLHFSA-N 2 2 359.474 0.993 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@@H+]1C ZINC001004221235 1253252050 /nfs/dbraw/zinc/25/20/50/1253252050.db2.gz BMEPMZGLUKYUAQ-BPLDGKMQSA-N 2 2 359.474 0.744 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@H+]1C ZINC001004221235 1253252058 /nfs/dbraw/zinc/25/20/58/1253252058.db2.gz BMEPMZGLUKYUAQ-BPLDGKMQSA-N 2 2 359.474 0.744 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001004364446 1253298551 /nfs/dbraw/zinc/29/85/51/1253298551.db2.gz FMEXUIRZPHXCPW-JJXSEGSLSA-N 2 2 359.474 0.932 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001004364446 1253298571 /nfs/dbraw/zinc/29/85/71/1253298571.db2.gz FMEXUIRZPHXCPW-JJXSEGSLSA-N 2 2 359.474 0.932 20 0 FCADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001329241726 1265719249 /nfs/dbraw/zinc/71/92/49/1265719249.db2.gz FPIQVGQAZPGZHB-CQSZACIVSA-N 2 2 359.478 0.412 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001004522390 1253353496 /nfs/dbraw/zinc/35/34/96/1253353496.db2.gz ZAFOROPPKSEPLE-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001004522390 1253353500 /nfs/dbraw/zinc/35/35/00/1253353500.db2.gz ZAFOROPPKSEPLE-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001004814658 1253410593 /nfs/dbraw/zinc/41/05/93/1253410593.db2.gz KLCKONMNSXOGDB-OIISXLGYSA-N 2 2 359.474 0.851 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC001005415015 1253550029 /nfs/dbraw/zinc/55/00/29/1253550029.db2.gz JEGJIOFHXZSJTH-LSDHHAIUSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC001005415015 1253550036 /nfs/dbraw/zinc/55/00/36/1253550036.db2.gz JEGJIOFHXZSJTH-LSDHHAIUSA-N 2 2 364.494 0.262 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001006018578 1253687949 /nfs/dbraw/zinc/68/79/49/1253687949.db2.gz GZNONQSJCSBOCE-BZUAXINKSA-N 2 2 359.474 0.677 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026495797 1253845858 /nfs/dbraw/zinc/84/58/58/1253845858.db2.gz RLBGZXAFNIVQQU-PRLABOORSA-N 2 2 359.474 0.656 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001519903510 1265798700 /nfs/dbraw/zinc/79/87/00/1265798700.db2.gz ZJCCKSOKKRTUEB-MAUKXSAKSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001519903510 1265798705 /nfs/dbraw/zinc/79/87/05/1265798705.db2.gz ZJCCKSOKKRTUEB-MAUKXSAKSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001519903518 1265798831 /nfs/dbraw/zinc/79/88/31/1265798831.db2.gz ZJCCKSOKKRTUEB-YJBOKZPZSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001519903518 1265798835 /nfs/dbraw/zinc/79/88/35/1265798835.db2.gz ZJCCKSOKKRTUEB-YJBOKZPZSA-N 2 2 367.538 0.563 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001034216980 1253983397 /nfs/dbraw/zinc/98/33/97/1253983397.db2.gz MTFRKCCEIISVGT-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001034216980 1253983403 /nfs/dbraw/zinc/98/34/03/1253983403.db2.gz MTFRKCCEIISVGT-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001034216980 1253983413 /nfs/dbraw/zinc/98/34/13/1253983413.db2.gz MTFRKCCEIISVGT-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001034216980 1253983418 /nfs/dbraw/zinc/98/34/18/1253983418.db2.gz MTFRKCCEIISVGT-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034273310 1253986897 /nfs/dbraw/zinc/98/68/97/1253986897.db2.gz PSGIVYKMUPYPQR-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034273310 1253986905 /nfs/dbraw/zinc/98/69/05/1253986905.db2.gz PSGIVYKMUPYPQR-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034273310 1253986916 /nfs/dbraw/zinc/98/69/16/1253986916.db2.gz PSGIVYKMUPYPQR-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034273310 1253986930 /nfs/dbraw/zinc/98/69/30/1253986930.db2.gz PSGIVYKMUPYPQR-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273977 1253987355 /nfs/dbraw/zinc/98/73/55/1253987355.db2.gz SDBDQGQLVRMCLP-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273977 1253987359 /nfs/dbraw/zinc/98/73/59/1253987359.db2.gz SDBDQGQLVRMCLP-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273977 1253987373 /nfs/dbraw/zinc/98/73/73/1253987373.db2.gz SDBDQGQLVRMCLP-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC(=O)N(C)C3CC3)C2)O1 ZINC001034273977 1253987387 /nfs/dbraw/zinc/98/73/87/1253987387.db2.gz SDBDQGQLVRMCLP-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971367 1254014254 /nfs/dbraw/zinc/01/42/54/1254014254.db2.gz LGCDEFXDLCKGOZ-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971367 1254014265 /nfs/dbraw/zinc/01/42/65/1254014265.db2.gz LGCDEFXDLCKGOZ-FVQBIDKESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001035054529 1254016557 /nfs/dbraw/zinc/01/65/57/1254016557.db2.gz OSNVIOJMOZLNES-RBSFLKMASA-N 2 2 357.462 0.916 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001035229004 1254022985 /nfs/dbraw/zinc/02/29/85/1254022985.db2.gz MLDITBSRGOQGML-OAGGEKHMSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001035229004 1254022992 /nfs/dbraw/zinc/02/29/92/1254022992.db2.gz MLDITBSRGOQGML-OAGGEKHMSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001035372022 1254027474 /nfs/dbraw/zinc/02/74/74/1254027474.db2.gz KJYIFHWZKULJEG-KZNAEPCWSA-N 2 2 363.506 0.657 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001035372022 1254027487 /nfs/dbraw/zinc/02/74/87/1254027487.db2.gz KJYIFHWZKULJEG-KZNAEPCWSA-N 2 2 363.506 0.657 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001035372022 1254027497 /nfs/dbraw/zinc/02/74/97/1254027497.db2.gz KJYIFHWZKULJEG-KZNAEPCWSA-N 2 2 363.506 0.657 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001035372022 1254027516 /nfs/dbraw/zinc/02/75/16/1254027516.db2.gz KJYIFHWZKULJEG-KZNAEPCWSA-N 2 2 363.506 0.657 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](Cc4cnnn4C)C3)CC2)CC[N@@H+]1C ZINC001035709796 1254058389 /nfs/dbraw/zinc/05/83/89/1254058389.db2.gz DAAWIWQZWAYUGS-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(C[NH+](Cc4cnnn4C)C3)CC2)CC[N@H+]1C ZINC001035709796 1254058401 /nfs/dbraw/zinc/05/84/01/1254058401.db2.gz DAAWIWQZWAYUGS-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C[NH+](CCn3cncn3)C2)CC1 ZINC001035799093 1254065759 /nfs/dbraw/zinc/06/57/59/1254065759.db2.gz WYSZRDAKHKGNEB-HZPDHXFCSA-N 2 2 369.473 0.740 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001065208021 1254491586 /nfs/dbraw/zinc/49/15/86/1254491586.db2.gz YWILBHFTXAWUMM-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001065208021 1254491600 /nfs/dbraw/zinc/49/16/00/1254491600.db2.gz YWILBHFTXAWUMM-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP Cc1nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001065628582 1254561154 /nfs/dbraw/zinc/56/11/54/1254561154.db2.gz SSIHAJLZCIJYMO-SIXLDLHFSA-N 2 2 361.490 0.750 20 0 FCADLP Cc1nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001065628582 1254561165 /nfs/dbraw/zinc/56/11/65/1254561165.db2.gz SSIHAJLZCIJYMO-SIXLDLHFSA-N 2 2 361.490 0.750 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)ccn1 ZINC001077565764 1254698664 /nfs/dbraw/zinc/69/86/64/1254698664.db2.gz XMGZSNIYEVQZRO-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)ccn1 ZINC001077565764 1254698677 /nfs/dbraw/zinc/69/86/77/1254698677.db2.gz XMGZSNIYEVQZRO-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)ccn1 ZINC001077565764 1254698684 /nfs/dbraw/zinc/69/86/84/1254698684.db2.gz XMGZSNIYEVQZRO-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)ccn1 ZINC001077565764 1254698694 /nfs/dbraw/zinc/69/86/94/1254698694.db2.gz XMGZSNIYEVQZRO-QMCVQRASSA-N 2 2 362.474 0.482 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675656 1254855201 /nfs/dbraw/zinc/85/52/01/1254855201.db2.gz VAHZESDQNZHJNH-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675656 1254855211 /nfs/dbraw/zinc/85/52/11/1254855211.db2.gz VAHZESDQNZHJNH-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675656 1254855219 /nfs/dbraw/zinc/85/52/19/1254855219.db2.gz VAHZESDQNZHJNH-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675656 1254855231 /nfs/dbraw/zinc/85/52/31/1254855231.db2.gz VAHZESDQNZHJNH-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679064 1254861216 /nfs/dbraw/zinc/86/12/16/1254861216.db2.gz GFYPYPBLAWNVDI-USXIJHARSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679064 1254861226 /nfs/dbraw/zinc/86/12/26/1254861226.db2.gz GFYPYPBLAWNVDI-USXIJHARSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679064 1254861233 /nfs/dbraw/zinc/86/12/33/1254861233.db2.gz GFYPYPBLAWNVDI-USXIJHARSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]2O)C1 ZINC001077679064 1254861244 /nfs/dbraw/zinc/86/12/44/1254861244.db2.gz GFYPYPBLAWNVDI-USXIJHARSA-N 2 2 365.449 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@H]1O)C2 ZINC001077683000 1254876052 /nfs/dbraw/zinc/87/60/52/1254876052.db2.gz UUPHNCKSZHINPB-BMGDILEWSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@H]1O)C2 ZINC001077683000 1254876058 /nfs/dbraw/zinc/87/60/58/1254876058.db2.gz UUPHNCKSZHINPB-BMGDILEWSA-N 2 2 362.474 0.484 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1)OC ZINC001077685709 1254878519 /nfs/dbraw/zinc/87/85/19/1254878519.db2.gz ZZWXSJUGLISSJK-KBRIMQKVSA-N 2 2 366.462 0.470 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1)OC ZINC001077685709 1254878530 /nfs/dbraw/zinc/87/85/30/1254878530.db2.gz ZZWXSJUGLISSJK-KBRIMQKVSA-N 2 2 366.462 0.470 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC001077844070 1255042163 /nfs/dbraw/zinc/04/21/63/1255042163.db2.gz VFVRWPQXMOLHIU-QZTJIDSGSA-N 2 2 357.458 0.457 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC001077844070 1255042167 /nfs/dbraw/zinc/04/21/67/1255042167.db2.gz VFVRWPQXMOLHIU-QZTJIDSGSA-N 2 2 357.458 0.457 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941456 1255113975 /nfs/dbraw/zinc/11/39/75/1255113975.db2.gz PBPNIYQWRZXEJW-KBRIMQKVSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941456 1255113977 /nfs/dbraw/zinc/11/39/77/1255113977.db2.gz PBPNIYQWRZXEJW-KBRIMQKVSA-N 2 2 357.414 0.079 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001078007560 1255164239 /nfs/dbraw/zinc/16/42/39/1255164239.db2.gz TYZXHNJRCVCTDH-IAGOWNOFSA-N 2 2 362.405 0.342 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001078007560 1255164242 /nfs/dbraw/zinc/16/42/42/1255164242.db2.gz TYZXHNJRCVCTDH-IAGOWNOFSA-N 2 2 362.405 0.342 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)c1ccccc1 ZINC001078009834 1255166390 /nfs/dbraw/zinc/16/63/90/1255166390.db2.gz UYNWQRFLUQZJFD-KURKYZTESA-N 2 2 358.442 0.512 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)c1ccccc1 ZINC001078009834 1255166396 /nfs/dbraw/zinc/16/63/96/1255166396.db2.gz UYNWQRFLUQZJFD-KURKYZTESA-N 2 2 358.442 0.512 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078180299 1255295563 /nfs/dbraw/zinc/29/55/63/1255295563.db2.gz WQYGLYDWDODHMV-QZTJIDSGSA-N 2 2 363.458 0.331 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078180299 1255295564 /nfs/dbraw/zinc/29/55/64/1255295564.db2.gz WQYGLYDWDODHMV-QZTJIDSGSA-N 2 2 363.458 0.331 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001078182467 1255299188 /nfs/dbraw/zinc/29/91/88/1255299188.db2.gz WZUAZCYMORKOQJ-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001078182467 1255299194 /nfs/dbraw/zinc/29/91/94/1255299194.db2.gz WZUAZCYMORKOQJ-IAGOWNOFSA-N 2 2 362.405 0.571 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205904 1255319893 /nfs/dbraw/zinc/31/98/93/1255319893.db2.gz IVKIYLHWJRURQZ-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205904 1255319899 /nfs/dbraw/zinc/31/98/99/1255319899.db2.gz IVKIYLHWJRURQZ-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205904 1255319908 /nfs/dbraw/zinc/31/99/08/1255319908.db2.gz IVKIYLHWJRURQZ-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)C1 ZINC001078205904 1255319915 /nfs/dbraw/zinc/31/99/15/1255319915.db2.gz IVKIYLHWJRURQZ-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)o1 ZINC001078418184 1255410178 /nfs/dbraw/zinc/41/01/78/1255410178.db2.gz JNGSSCYEYHUYRB-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)o1 ZINC001078418184 1255410184 /nfs/dbraw/zinc/41/01/84/1255410184.db2.gz JNGSSCYEYHUYRB-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)on1 ZINC001078418219 1255410320 /nfs/dbraw/zinc/41/03/20/1255410320.db2.gz KDCALCBLVKFCCM-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)on1 ZINC001078418219 1255410325 /nfs/dbraw/zinc/41/03/25/1255410325.db2.gz KDCALCBLVKFCCM-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079129721 1255444060 /nfs/dbraw/zinc/44/40/60/1255444060.db2.gz CPWUEUKXJOFELH-QRVBRYPASA-N 2 2 361.486 0.801 20 0 FCADLP CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079129721 1255444063 /nfs/dbraw/zinc/44/40/63/1255444063.db2.gz CPWUEUKXJOFELH-QRVBRYPASA-N 2 2 361.486 0.801 20 0 FCADLP CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079129721 1255444064 /nfs/dbraw/zinc/44/40/64/1255444064.db2.gz CPWUEUKXJOFELH-QRVBRYPASA-N 2 2 361.486 0.801 20 0 FCADLP CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079129721 1255444071 /nfs/dbraw/zinc/44/40/71/1255444071.db2.gz CPWUEUKXJOFELH-QRVBRYPASA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079265484 1255493374 /nfs/dbraw/zinc/49/33/74/1255493374.db2.gz KZCVWCZBWAVPHU-HYVNUMGLSA-N 2 2 362.474 0.520 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079265484 1255493379 /nfs/dbraw/zinc/49/33/79/1255493379.db2.gz KZCVWCZBWAVPHU-HYVNUMGLSA-N 2 2 362.474 0.520 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001079305341 1255504445 /nfs/dbraw/zinc/50/44/45/1255504445.db2.gz YJDVDUCMLOSPPG-GOEBONIOSA-N 2 2 359.405 0.482 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)nn1C ZINC001080324870 1255842943 /nfs/dbraw/zinc/84/29/43/1255842943.db2.gz HHUHOIWZOSPHFP-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)nn1C ZINC001080324870 1255842950 /nfs/dbraw/zinc/84/29/50/1255842950.db2.gz HHUHOIWZOSPHFP-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)nn1C ZINC001080324870 1255842960 /nfs/dbraw/zinc/84/29/60/1255842960.db2.gz HHUHOIWZOSPHFP-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)nn1C ZINC001080324870 1255842969 /nfs/dbraw/zinc/84/29/69/1255842969.db2.gz HHUHOIWZOSPHFP-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC3CC3)C[C@H]1C)CC2 ZINC001080341983 1255856059 /nfs/dbraw/zinc/85/60/59/1255856059.db2.gz CJUKLSXTYGQLOJ-SUYBPPKGSA-N 2 2 359.474 0.469 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC3CC3)C[C@H]1C)CC2 ZINC001080341983 1255856070 /nfs/dbraw/zinc/85/60/70/1255856070.db2.gz CJUKLSXTYGQLOJ-SUYBPPKGSA-N 2 2 359.474 0.469 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]2C)C1 ZINC001080447271 1255890236 /nfs/dbraw/zinc/89/02/36/1255890236.db2.gz WNDJWDLXEZGRRN-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]2C)C1 ZINC001080447271 1255890241 /nfs/dbraw/zinc/89/02/41/1255890241.db2.gz WNDJWDLXEZGRRN-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]2C)C1 ZINC001080447271 1255890251 /nfs/dbraw/zinc/89/02/51/1255890251.db2.gz WNDJWDLXEZGRRN-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]2C)C1 ZINC001080447271 1255890256 /nfs/dbraw/zinc/89/02/56/1255890256.db2.gz WNDJWDLXEZGRRN-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001080471024 1255906091 /nfs/dbraw/zinc/90/60/91/1255906091.db2.gz KWORHVDKQZAIKB-BASLNEPJSA-N 2 2 371.489 0.869 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001080471024 1255906098 /nfs/dbraw/zinc/90/60/98/1255906098.db2.gz KWORHVDKQZAIKB-BASLNEPJSA-N 2 2 371.489 0.869 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679693 1255983252 /nfs/dbraw/zinc/98/32/52/1255983252.db2.gz RKZJBEKKBJSRFR-XJKCOSOUSA-N 2 2 356.430 0.452 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679693 1255983259 /nfs/dbraw/zinc/98/32/59/1255983259.db2.gz RKZJBEKKBJSRFR-XJKCOSOUSA-N 2 2 356.430 0.452 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080681699 1255983689 /nfs/dbraw/zinc/98/36/89/1255983689.db2.gz BEKQLUANQPHSCR-DAXOMENPSA-N 2 2 354.414 0.206 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001080681699 1255983701 /nfs/dbraw/zinc/98/37/01/1255983701.db2.gz BEKQLUANQPHSCR-DAXOMENPSA-N 2 2 354.414 0.206 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781023 1256037396 /nfs/dbraw/zinc/03/73/96/1256037396.db2.gz KTFLJESXTADCIP-UWWQBHOKSA-N 2 2 360.506 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781023 1256037404 /nfs/dbraw/zinc/03/74/04/1256037404.db2.gz KTFLJESXTADCIP-UWWQBHOKSA-N 2 2 360.506 0.966 20 0 FCADLP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080781023 1256037413 /nfs/dbraw/zinc/03/74/13/1256037413.db2.gz KTFLJESXTADCIP-UWWQBHOKSA-N 2 2 360.506 0.966 20 0 FCADLP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080781023 1256037423 /nfs/dbraw/zinc/03/74/23/1256037423.db2.gz KTFLJESXTADCIP-UWWQBHOKSA-N 2 2 360.506 0.966 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1 ZINC001081135267 1256190307 /nfs/dbraw/zinc/19/03/07/1256190307.db2.gz NUUNINSUQYFUMC-RYQLBKOJSA-N 2 2 367.453 0.515 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1)C(N)=O ZINC001081220172 1256210373 /nfs/dbraw/zinc/21/03/73/1256210373.db2.gz YWIKWMMMTQKCKK-JCGIZDLHSA-N 2 2 369.469 0.811 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081437782 1256255759 /nfs/dbraw/zinc/25/57/59/1256255759.db2.gz HKKDAYCVTIFFBA-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081437782 1256255764 /nfs/dbraw/zinc/25/57/64/1256255764.db2.gz HKKDAYCVTIFFBA-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081437782 1256255772 /nfs/dbraw/zinc/25/57/72/1256255772.db2.gz HKKDAYCVTIFFBA-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081437782 1256255775 /nfs/dbraw/zinc/25/57/75/1256255775.db2.gz HKKDAYCVTIFFBA-IXDOHACOSA-N 2 2 360.458 0.195 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081680655 1256332029 /nfs/dbraw/zinc/33/20/29/1256332029.db2.gz DDEVSEAICRAKLV-QBPKDAKJSA-N 2 2 362.474 0.616 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](OC)C1 ZINC001081680655 1256332032 /nfs/dbraw/zinc/33/20/32/1256332032.db2.gz DDEVSEAICRAKLV-QBPKDAKJSA-N 2 2 362.474 0.616 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691934 1256335751 /nfs/dbraw/zinc/33/57/51/1256335751.db2.gz ZHKYZCMHGLQJFN-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691934 1256335759 /nfs/dbraw/zinc/33/57/59/1256335759.db2.gz ZHKYZCMHGLQJFN-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691934 1256335768 /nfs/dbraw/zinc/33/57/68/1256335768.db2.gz ZHKYZCMHGLQJFN-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691934 1256335775 /nfs/dbraw/zinc/33/57/75/1256335775.db2.gz ZHKYZCMHGLQJFN-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691635 1256336917 /nfs/dbraw/zinc/33/69/17/1256336917.db2.gz HYZQCUBTCLWDNF-KCYZZUKISA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691635 1256336922 /nfs/dbraw/zinc/33/69/22/1256336922.db2.gz HYZQCUBTCLWDNF-KCYZZUKISA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691635 1256336929 /nfs/dbraw/zinc/33/69/29/1256336929.db2.gz HYZQCUBTCLWDNF-KCYZZUKISA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691635 1256336931 /nfs/dbraw/zinc/33/69/31/1256336931.db2.gz HYZQCUBTCLWDNF-KCYZZUKISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2OC)CC[N@@H+]1C ZINC001081699289 1256337585 /nfs/dbraw/zinc/33/75/85/1256337585.db2.gz NTLWDNDKMOEIOH-DZOHQFGASA-N 2 2 361.490 0.831 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2OC)CC[N@H+]1C ZINC001081699289 1256337591 /nfs/dbraw/zinc/33/75/91/1256337591.db2.gz NTLWDNDKMOEIOH-DZOHQFGASA-N 2 2 361.490 0.831 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699289 1256337598 /nfs/dbraw/zinc/33/75/98/1256337598.db2.gz NTLWDNDKMOEIOH-DZOHQFGASA-N 2 2 361.490 0.831 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699289 1256337607 /nfs/dbraw/zinc/33/76/07/1256337607.db2.gz NTLWDNDKMOEIOH-DZOHQFGASA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081788184 1256368311 /nfs/dbraw/zinc/36/83/11/1256368311.db2.gz IDAKCPXHCLYVGS-USXIJHARSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001081788184 1256368316 /nfs/dbraw/zinc/36/83/16/1256368316.db2.gz IDAKCPXHCLYVGS-USXIJHARSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001081788184 1256368324 /nfs/dbraw/zinc/36/83/24/1256368324.db2.gz IDAKCPXHCLYVGS-USXIJHARSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001081788184 1256368328 /nfs/dbraw/zinc/36/83/28/1256368328.db2.gz IDAKCPXHCLYVGS-USXIJHARSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899579 1256442253 /nfs/dbraw/zinc/44/22/53/1256442253.db2.gz YRESUZARPFZXLL-IAGOWNOFSA-N 2 2 371.441 0.386 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899579 1256442257 /nfs/dbraw/zinc/44/22/57/1256442257.db2.gz YRESUZARPFZXLL-IAGOWNOFSA-N 2 2 371.441 0.386 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001081980696 1256481385 /nfs/dbraw/zinc/48/13/85/1256481385.db2.gz ZEMWVNFMQJJDKV-KURKYZTESA-N 2 2 361.490 0.610 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057894 1256513951 /nfs/dbraw/zinc/51/39/51/1256513951.db2.gz IRUCKLYZTOHYPI-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057894 1256513954 /nfs/dbraw/zinc/51/39/54/1256513954.db2.gz IRUCKLYZTOHYPI-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057894 1256513957 /nfs/dbraw/zinc/51/39/57/1256513957.db2.gz IRUCKLYZTOHYPI-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082057894 1256513958 /nfs/dbraw/zinc/51/39/58/1256513958.db2.gz IRUCKLYZTOHYPI-BRWVUGGUSA-N 2 2 366.462 0.408 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001082103280 1256535757 /nfs/dbraw/zinc/53/57/57/1256535757.db2.gz CROSKHYZONIRTK-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001082103280 1256535762 /nfs/dbraw/zinc/53/57/62/1256535762.db2.gz CROSKHYZONIRTK-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137851 1256555193 /nfs/dbraw/zinc/55/51/93/1256555193.db2.gz DGBSUBFPDKUSBL-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137851 1256555201 /nfs/dbraw/zinc/55/52/01/1256555201.db2.gz DGBSUBFPDKUSBL-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137851 1256555206 /nfs/dbraw/zinc/55/52/06/1256555206.db2.gz DGBSUBFPDKUSBL-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137851 1256555209 /nfs/dbraw/zinc/55/52/09/1256555209.db2.gz DGBSUBFPDKUSBL-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082191834 1256582351 /nfs/dbraw/zinc/58/23/51/1256582351.db2.gz HPMOYAPNHQEDTB-HUUCEWRRSA-N 2 2 361.450 0.114 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001082191834 1256582356 /nfs/dbraw/zinc/58/23/56/1256582356.db2.gz HPMOYAPNHQEDTB-HUUCEWRRSA-N 2 2 361.450 0.114 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241586 1256604875 /nfs/dbraw/zinc/60/48/75/1256604875.db2.gz YWACOCMPYAUACJ-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241586 1256604882 /nfs/dbraw/zinc/60/48/82/1256604882.db2.gz YWACOCMPYAUACJ-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](OC)C2)C1=O ZINC001082271451 1256623711 /nfs/dbraw/zinc/62/37/11/1256623711.db2.gz AUSJGFAHSHNCPS-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](OC)C2)C1=O ZINC001082271451 1256623717 /nfs/dbraw/zinc/62/37/17/1256623717.db2.gz AUSJGFAHSHNCPS-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317889 1256655030 /nfs/dbraw/zinc/65/50/30/1256655030.db2.gz MOYBHIBJSVLKID-BRWVUGGUSA-N 2 2 366.506 0.188 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082317889 1256655034 /nfs/dbraw/zinc/65/50/34/1256655034.db2.gz MOYBHIBJSVLKID-BRWVUGGUSA-N 2 2 366.506 0.188 20 0 FCADLP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082347914 1256694388 /nfs/dbraw/zinc/69/43/88/1256694388.db2.gz ZMOJVAWKNCTQMK-HZPDHXFCSA-N 2 2 363.462 0.089 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082347914 1256694395 /nfs/dbraw/zinc/69/43/95/1256694395.db2.gz ZMOJVAWKNCTQMK-HZPDHXFCSA-N 2 2 363.462 0.089 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC001082459062 1256770011 /nfs/dbraw/zinc/77/00/11/1256770011.db2.gz JZHFWOJOBPRPTP-OLMNPRSZSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC001082459062 1256770016 /nfs/dbraw/zinc/77/00/16/1256770016.db2.gz JZHFWOJOBPRPTP-OLMNPRSZSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082492987 1256785463 /nfs/dbraw/zinc/78/54/63/1256785463.db2.gz RRJFTCQCNOZDPY-TZMCWYRMSA-N 2 2 369.429 0.315 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082524970 1256807187 /nfs/dbraw/zinc/80/71/87/1256807187.db2.gz SHFXUCQSXNVZJT-FVQBIDKESA-N 2 2 359.474 0.429 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]Cc1nncn1C ZINC001082525129 1256808129 /nfs/dbraw/zinc/80/81/29/1256808129.db2.gz ZXPPOMCKRDBLLS-UKRRQHHQSA-N 2 2 357.462 0.527 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)c[nH+]1 ZINC001082588691 1256902291 /nfs/dbraw/zinc/90/22/91/1256902291.db2.gz KCWJVAQIENUXPZ-MRVWCRGKSA-N 2 2 361.446 0.168 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590339 1256903368 /nfs/dbraw/zinc/90/33/68/1256903368.db2.gz QPNRAXOODITNIS-KLHDSHLOSA-N 2 2 364.494 0.344 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590339 1256903372 /nfs/dbraw/zinc/90/33/72/1256903372.db2.gz QPNRAXOODITNIS-KLHDSHLOSA-N 2 2 364.494 0.344 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1C ZINC001082601320 1256911719 /nfs/dbraw/zinc/91/17/19/1256911719.db2.gz VSEHFIGYFBDLPJ-IIAWOOMASA-N 2 2 371.489 0.773 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082603133 1256913981 /nfs/dbraw/zinc/91/39/81/1256913981.db2.gz LLXXFSPGLADCEQ-HYVNUMGLSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082604105 1256914633 /nfs/dbraw/zinc/91/46/33/1256914633.db2.gz CQVUUAMPJSWBOD-RVKKMQEKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082603752 1256914692 /nfs/dbraw/zinc/91/46/92/1256914692.db2.gz PGNPQHUDTKZVSG-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C)n1 ZINC001082604246 1256914921 /nfs/dbraw/zinc/91/49/21/1256914921.db2.gz JEFLZQUOIUGAOA-KBRIMQKVSA-N 2 2 371.489 0.791 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604254 1256915184 /nfs/dbraw/zinc/91/51/84/1256915184.db2.gz JGWJMFQDBFQINT-IJEWVQPXSA-N 2 2 357.462 0.694 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C)nn1 ZINC001082603813 1256915230 /nfs/dbraw/zinc/91/52/30/1256915230.db2.gz RJNJCBVHKUIJGZ-IIAWOOMASA-N 2 2 370.457 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082604630 1256915543 /nfs/dbraw/zinc/91/55/43/1256915543.db2.gz WFGJJHLQDXJVQY-HLLBOEOZSA-N 2 2 356.474 0.858 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)n1 ZINC001082609068 1256919831 /nfs/dbraw/zinc/91/98/31/1256919831.db2.gz PCIDTAIQRKJESS-MLGOLLRUSA-N 2 2 361.450 0.598 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nnnn2C2CC2)C1 ZINC001082646582 1256952646 /nfs/dbraw/zinc/95/26/46/1256952646.db2.gz GQXMKUFOAHYCKC-OSAQELSMSA-N 2 2 358.450 0.711 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001082658532 1256962301 /nfs/dbraw/zinc/96/23/01/1256962301.db2.gz IYSXINWDRCQPOW-RBSFLKMASA-N 2 2 357.462 0.568 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001082663914 1256966487 /nfs/dbraw/zinc/96/64/87/1256966487.db2.gz LZCMJLIIUSJZJM-KZNAEPCWSA-N 2 2 363.506 0.821 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001082663914 1256966491 /nfs/dbraw/zinc/96/64/91/1256966491.db2.gz LZCMJLIIUSJZJM-KZNAEPCWSA-N 2 2 363.506 0.821 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001082796847 1257057073 /nfs/dbraw/zinc/05/70/73/1257057073.db2.gz PIFYSBFMNTWQFM-CKEIUWERSA-N 2 2 357.458 0.924 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001082796847 1257057079 /nfs/dbraw/zinc/05/70/79/1257057079.db2.gz PIFYSBFMNTWQFM-CKEIUWERSA-N 2 2 357.458 0.924 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082861145 1257112568 /nfs/dbraw/zinc/11/25/68/1257112568.db2.gz JUJPEJUSEFSOKE-MLGOLLRUSA-N 2 2 370.457 0.972 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001082860653 1257112763 /nfs/dbraw/zinc/11/27/63/1257112763.db2.gz DNBTWTUJHURROD-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nc(C2CC2)nn1C ZINC001082892649 1257128523 /nfs/dbraw/zinc/12/85/23/1257128523.db2.gz MXZVZHQXNKLRSW-CZUORRHYSA-N 2 2 371.489 0.995 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082892782 1257128708 /nfs/dbraw/zinc/12/87/08/1257128708.db2.gz UYLOBIJSDHVSAU-VNQPRFMTSA-N 2 2 357.462 0.568 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933913 1257154928 /nfs/dbraw/zinc/15/49/28/1257154928.db2.gz OQDQGODLYFTEMC-OAGGEKHMSA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933913 1257154932 /nfs/dbraw/zinc/15/49/32/1257154932.db2.gz OQDQGODLYFTEMC-OAGGEKHMSA-N 2 2 364.494 0.345 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082941849 1257160799 /nfs/dbraw/zinc/16/07/99/1257160799.db2.gz PKGBGWLSLLSKKE-HUUCEWRRSA-N 2 2 364.494 0.948 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035132 1257228156 /nfs/dbraw/zinc/22/81/56/1257228156.db2.gz FVIYHNRWSPNHKW-RCCFBDPRSA-N 2 2 363.502 0.809 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035132 1257228159 /nfs/dbraw/zinc/22/81/59/1257228159.db2.gz FVIYHNRWSPNHKW-RCCFBDPRSA-N 2 2 363.502 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035132 1257228160 /nfs/dbraw/zinc/22/81/60/1257228160.db2.gz FVIYHNRWSPNHKW-RCCFBDPRSA-N 2 2 363.502 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035132 1257228164 /nfs/dbraw/zinc/22/81/64/1257228164.db2.gz FVIYHNRWSPNHKW-RCCFBDPRSA-N 2 2 363.502 0.809 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086596 1257287983 /nfs/dbraw/zinc/28/79/83/1257287983.db2.gz UJWCWRUGWZAGHN-LFVTVUPYSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083086596 1257287987 /nfs/dbraw/zinc/28/79/87/1257287987.db2.gz UJWCWRUGWZAGHN-LFVTVUPYSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086596 1257287990 /nfs/dbraw/zinc/28/79/90/1257287990.db2.gz UJWCWRUGWZAGHN-LFVTVUPYSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086596 1257287995 /nfs/dbraw/zinc/28/79/95/1257287995.db2.gz UJWCWRUGWZAGHN-LFVTVUPYSA-N 2 2 362.474 0.989 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110437 1257331478 /nfs/dbraw/zinc/33/14/78/1257331478.db2.gz DJHJSMRJOSDQEC-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110437 1257331487 /nfs/dbraw/zinc/33/14/87/1257331487.db2.gz DJHJSMRJOSDQEC-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110437 1257331494 /nfs/dbraw/zinc/33/14/94/1257331494.db2.gz DJHJSMRJOSDQEC-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]21 ZINC001083110437 1257331500 /nfs/dbraw/zinc/33/15/00/1257331500.db2.gz DJHJSMRJOSDQEC-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c[nH+]1 ZINC001330876672 1266110248 /nfs/dbraw/zinc/11/02/48/1266110248.db2.gz NDLULTZDXKDAOK-CVEARBPZSA-N 2 2 374.489 0.673 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140201 1257389597 /nfs/dbraw/zinc/38/95/97/1257389597.db2.gz RNJWZEADLRNPRW-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140201 1257389605 /nfs/dbraw/zinc/38/96/05/1257389605.db2.gz RNJWZEADLRNPRW-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@@H]21 ZINC001083144058 1257396968 /nfs/dbraw/zinc/39/69/68/1257396968.db2.gz NQHXGMYCKFRDGO-DOTOQJQBSA-N 2 2 359.430 0.908 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@@H]21 ZINC001083144058 1257396977 /nfs/dbraw/zinc/39/69/77/1257396977.db2.gz NQHXGMYCKFRDGO-DOTOQJQBSA-N 2 2 359.430 0.908 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001330890855 1266112654 /nfs/dbraw/zinc/11/26/54/1266112654.db2.gz PZYYMWHSIMVXDV-KRWDZBQOSA-N 2 2 367.457 0.884 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001330890855 1266112658 /nfs/dbraw/zinc/11/26/58/1266112658.db2.gz PZYYMWHSIMVXDV-KRWDZBQOSA-N 2 2 367.457 0.884 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CN(C)CC[N@@H+]1C ZINC001521342329 1266113823 /nfs/dbraw/zinc/11/38/23/1266113823.db2.gz FYYPASUKPTWLAJ-NVXWUHKLSA-N 2 2 351.495 0.987 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccco1)[C@H]1CN(C)CC[N@H+]1C ZINC001521342329 1266113826 /nfs/dbraw/zinc/11/38/26/1266113826.db2.gz FYYPASUKPTWLAJ-NVXWUHKLSA-N 2 2 351.495 0.987 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083778329 1257518745 /nfs/dbraw/zinc/51/87/45/1257518745.db2.gz IXIGXXCPJUSKON-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083778329 1257518749 /nfs/dbraw/zinc/51/87/49/1257518749.db2.gz IXIGXXCPJUSKON-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083778329 1257518753 /nfs/dbraw/zinc/51/87/53/1257518753.db2.gz IXIGXXCPJUSKON-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)cc1 ZINC001083778329 1257518755 /nfs/dbraw/zinc/51/87/55/1257518755.db2.gz IXIGXXCPJUSKON-LZQZEXGQSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778144 1257519267 /nfs/dbraw/zinc/51/92/67/1257519267.db2.gz CLCYPXNMLFSMBW-JLZZUVOBSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778144 1257519273 /nfs/dbraw/zinc/51/92/73/1257519273.db2.gz CLCYPXNMLFSMBW-JLZZUVOBSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778144 1257519276 /nfs/dbraw/zinc/51/92/76/1257519276.db2.gz CLCYPXNMLFSMBW-JLZZUVOBSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083778144 1257519279 /nfs/dbraw/zinc/51/92/79/1257519279.db2.gz CLCYPXNMLFSMBW-JLZZUVOBSA-N 2 2 359.430 0.368 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779338 1257520845 /nfs/dbraw/zinc/52/08/45/1257520845.db2.gz XBNDDFXSPLYQRG-QGTPRVQTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779338 1257520847 /nfs/dbraw/zinc/52/08/47/1257520847.db2.gz XBNDDFXSPLYQRG-QGTPRVQTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779338 1257520853 /nfs/dbraw/zinc/52/08/53/1257520853.db2.gz XBNDDFXSPLYQRG-QGTPRVQTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779338 1257520858 /nfs/dbraw/zinc/52/08/58/1257520858.db2.gz XBNDDFXSPLYQRG-QGTPRVQTSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@@H]1O)C2 ZINC001083781102 1257523939 /nfs/dbraw/zinc/52/39/39/1257523939.db2.gz UUPHNCKSZHINPB-QGTPRVQTSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@@H]1O)C2 ZINC001083781102 1257523946 /nfs/dbraw/zinc/52/39/46/1257523946.db2.gz UUPHNCKSZHINPB-QGTPRVQTSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@@H]1O)C2 ZINC001083780663 1257524178 /nfs/dbraw/zinc/52/41/78/1257524178.db2.gz GBEZLQHZQVHOHR-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@@H]1O)C2 ZINC001083780663 1257524182 /nfs/dbraw/zinc/52/41/82/1257524182.db2.gz GBEZLQHZQVHOHR-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@@H]1O)C2 ZINC001083780661 1257524705 /nfs/dbraw/zinc/52/47/05/1257524705.db2.gz FXHCIVKIPOLBPT-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@@H]1O)C2 ZINC001083780661 1257524710 /nfs/dbraw/zinc/52/47/10/1257524710.db2.gz FXHCIVKIPOLBPT-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP CCN1CC[NH+](CCCNC(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001521504581 1266128254 /nfs/dbraw/zinc/12/82/54/1266128254.db2.gz YNSIBQJWJFBSME-HXUWFJFHSA-N 2 2 360.502 0.939 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)on1 ZINC001083937015 1257722712 /nfs/dbraw/zinc/72/27/12/1257722712.db2.gz IAYVGZRXILGBPQ-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)on1 ZINC001083937015 1257722717 /nfs/dbraw/zinc/72/27/17/1257722717.db2.gz IAYVGZRXILGBPQ-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083953019 1257740855 /nfs/dbraw/zinc/74/08/55/1257740855.db2.gz DIQJXHMRTHRUII-XHSDSOJGSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083953019 1257740858 /nfs/dbraw/zinc/74/08/58/1257740858.db2.gz DIQJXHMRTHRUII-XHSDSOJGSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001083953019 1257740866 /nfs/dbraw/zinc/74/08/66/1257740866.db2.gz DIQJXHMRTHRUII-XHSDSOJGSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)o1 ZINC001083953019 1257740873 /nfs/dbraw/zinc/74/08/73/1257740873.db2.gz DIQJXHMRTHRUII-XHSDSOJGSA-N 2 2 364.490 0.939 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083954051 1257743182 /nfs/dbraw/zinc/74/31/82/1257743182.db2.gz IQEIZUVXMKIMLJ-MSOLQXFVSA-N 2 2 370.453 0.302 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083954051 1257743188 /nfs/dbraw/zinc/74/31/88/1257743188.db2.gz IQEIZUVXMKIMLJ-MSOLQXFVSA-N 2 2 370.453 0.302 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954776 1257743548 /nfs/dbraw/zinc/74/35/48/1257743548.db2.gz ICRYXPBHCLVVJM-XYPHTWIQSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083954776 1257743553 /nfs/dbraw/zinc/74/35/53/1257743553.db2.gz ICRYXPBHCLVVJM-XYPHTWIQSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001083954776 1257743556 /nfs/dbraw/zinc/74/35/56/1257743556.db2.gz ICRYXPBHCLVVJM-XYPHTWIQSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954776 1257743564 /nfs/dbraw/zinc/74/35/64/1257743564.db2.gz ICRYXPBHCLVVJM-XYPHTWIQSA-N 2 2 365.449 0.837 20 0 FCADLP CCc1ccc([C@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084057722 1257870990 /nfs/dbraw/zinc/87/09/90/1257870990.db2.gz ZIECBBPBIRLIEN-QRVBRYPASA-N 2 2 361.486 0.540 20 0 FCADLP CCc1ccc([C@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084057722 1257870997 /nfs/dbraw/zinc/87/09/97/1257870997.db2.gz ZIECBBPBIRLIEN-QRVBRYPASA-N 2 2 361.486 0.540 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001084059624 1257875646 /nfs/dbraw/zinc/87/56/46/1257875646.db2.gz QQNCCIODGIQVEU-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001084059624 1257875658 /nfs/dbraw/zinc/87/56/58/1257875658.db2.gz QQNCCIODGIQVEU-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059656 1257875748 /nfs/dbraw/zinc/87/57/48/1257875748.db2.gz SCYQXZCQEWZOEH-CABCVRRESA-N 2 2 361.446 0.973 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059656 1257875758 /nfs/dbraw/zinc/87/57/58/1257875758.db2.gz SCYQXZCQEWZOEH-CABCVRRESA-N 2 2 361.446 0.973 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)c1 ZINC001084059288 1257877634 /nfs/dbraw/zinc/87/76/34/1257877634.db2.gz AVUZIFFGOIRZEC-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)c1 ZINC001084059288 1257877647 /nfs/dbraw/zinc/87/76/47/1257877647.db2.gz AVUZIFFGOIRZEC-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001084116285 1257935057 /nfs/dbraw/zinc/93/50/57/1257935057.db2.gz IZNJKAIQOFCUTD-IPELMVKDSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001084116285 1257935064 /nfs/dbraw/zinc/93/50/64/1257935064.db2.gz IZNJKAIQOFCUTD-IPELMVKDSA-N 2 2 354.454 0.850 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251276 1257987897 /nfs/dbraw/zinc/98/78/97/1257987897.db2.gz HQVGLRAAIWERPH-KURKYZTESA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251276 1257987904 /nfs/dbraw/zinc/98/79/04/1257987904.db2.gz HQVGLRAAIWERPH-KURKYZTESA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251276 1257987910 /nfs/dbraw/zinc/98/79/10/1257987910.db2.gz HQVGLRAAIWERPH-KURKYZTESA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251276 1257987918 /nfs/dbraw/zinc/98/79/18/1257987918.db2.gz HQVGLRAAIWERPH-KURKYZTESA-N 2 2 361.490 0.363 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251524 1257988238 /nfs/dbraw/zinc/98/82/38/1257988238.db2.gz QPFWOUUCBIJFER-BZUAXINKSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251524 1257988241 /nfs/dbraw/zinc/98/82/41/1257988241.db2.gz QPFWOUUCBIJFER-BZUAXINKSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251524 1257988245 /nfs/dbraw/zinc/98/82/45/1257988245.db2.gz QPFWOUUCBIJFER-BZUAXINKSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251524 1257988249 /nfs/dbraw/zinc/98/82/49/1257988249.db2.gz QPFWOUUCBIJFER-BZUAXINKSA-N 2 2 363.462 0.174 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084250428 1257988297 /nfs/dbraw/zinc/98/82/97/1257988297.db2.gz GHMMRGUFSZBZHO-OLMNPRSZSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084250428 1257988303 /nfs/dbraw/zinc/98/83/03/1257988303.db2.gz GHMMRGUFSZBZHO-OLMNPRSZSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084250428 1257988305 /nfs/dbraw/zinc/98/83/05/1257988305.db2.gz GHMMRGUFSZBZHO-OLMNPRSZSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084250428 1257988310 /nfs/dbraw/zinc/98/83/10/1257988310.db2.gz GHMMRGUFSZBZHO-OLMNPRSZSA-N 2 2 362.474 0.909 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484395 1258128837 /nfs/dbraw/zinc/12/88/37/1258128837.db2.gz SWVZXWMLUYOWDJ-IXDOHACOSA-N 2 2 360.502 0.768 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484395 1258128840 /nfs/dbraw/zinc/12/88/40/1258128840.db2.gz SWVZXWMLUYOWDJ-IXDOHACOSA-N 2 2 360.502 0.768 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084525007 1258150858 /nfs/dbraw/zinc/15/08/58/1258150858.db2.gz XFSKIHLORFGCOI-UKPHBRMFSA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084525007 1258150862 /nfs/dbraw/zinc/15/08/62/1258150862.db2.gz XFSKIHLORFGCOI-UKPHBRMFSA-N 2 2 359.474 0.559 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001084615610 1258202512 /nfs/dbraw/zinc/20/25/12/1258202512.db2.gz FIFCOSTXOVGCPE-JFIYKMOQSA-N 2 2 369.473 0.578 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001084615610 1258202522 /nfs/dbraw/zinc/20/25/22/1258202522.db2.gz FIFCOSTXOVGCPE-JFIYKMOQSA-N 2 2 369.473 0.578 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001084751789 1258289910 /nfs/dbraw/zinc/28/99/10/1258289910.db2.gz DFVQOWPZOSENOG-SJLPKXTDSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001084751789 1258289917 /nfs/dbraw/zinc/28/99/17/1258289917.db2.gz DFVQOWPZOSENOG-SJLPKXTDSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084779890 1258322063 /nfs/dbraw/zinc/32/20/63/1258322063.db2.gz FRZRMNLFGAXNDZ-DAXOMENPSA-N 2 2 371.441 0.099 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084779890 1258322069 /nfs/dbraw/zinc/32/20/69/1258322069.db2.gz FRZRMNLFGAXNDZ-DAXOMENPSA-N 2 2 371.441 0.099 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH+]ccc4N(C)C)[C@@H]3C2)C1=O ZINC001084779892 1258322966 /nfs/dbraw/zinc/32/29/66/1258322966.db2.gz FSAYXDJEAFVDGC-FHLIZLRMSA-N 2 2 371.485 0.915 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)c4c[nH+]ccc4N(C)C)[C@@H]3C2)C1=O ZINC001084779892 1258322973 /nfs/dbraw/zinc/32/29/73/1258322973.db2.gz FSAYXDJEAFVDGC-FHLIZLRMSA-N 2 2 371.485 0.915 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3cncn3C)C[C@H]21 ZINC001084834365 1258380749 /nfs/dbraw/zinc/38/07/49/1258380749.db2.gz XMAPXSTZYLNUKQ-LZLYRXPVSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncn3C)C[C@H]21 ZINC001084834365 1258380756 /nfs/dbraw/zinc/38/07/56/1258380756.db2.gz XMAPXSTZYLNUKQ-LZLYRXPVSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3cncn3C)C[C@H]21 ZINC001084834364 1258381136 /nfs/dbraw/zinc/38/11/36/1258381136.db2.gz XMAPXSTZYLNUKQ-JFIYKMOQSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncn3C)C[C@H]21 ZINC001084834364 1258381141 /nfs/dbraw/zinc/38/11/41/1258381141.db2.gz XMAPXSTZYLNUKQ-JFIYKMOQSA-N 2 2 361.490 0.421 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853386 1258401419 /nfs/dbraw/zinc/40/14/19/1258401419.db2.gz MHCOGVXQRRNZCV-SZVBFZGTSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853386 1258401423 /nfs/dbraw/zinc/40/14/23/1258401423.db2.gz MHCOGVXQRRNZCV-SZVBFZGTSA-N 2 2 362.518 0.918 20 0 FCADLP Cn1nnc2cc(C[N@@H+]3CC[C@@H]4CN(C(=O)Cn5cc[nH+]c5)[C@@H]4C3)ccc21 ZINC001084866066 1258408808 /nfs/dbraw/zinc/40/88/08/1258408808.db2.gz YYMWNFIZYXAOEZ-CRAIPNDOSA-N 2 2 365.441 0.898 20 0 FCADLP Cn1nnc2cc(C[N@H+]3CC[C@@H]4CN(C(=O)Cn5cc[nH+]c5)[C@@H]4C3)ccc21 ZINC001084866066 1258408812 /nfs/dbraw/zinc/40/88/12/1258408812.db2.gz YYMWNFIZYXAOEZ-CRAIPNDOSA-N 2 2 365.441 0.898 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084866597 1258409941 /nfs/dbraw/zinc/40/99/41/1258409941.db2.gz YFIPLQTYEWEFHK-OWCLPIDISA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084866597 1258409945 /nfs/dbraw/zinc/40/99/45/1258409945.db2.gz YFIPLQTYEWEFHK-OWCLPIDISA-N 2 2 359.474 0.815 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001331293341 1266185213 /nfs/dbraw/zinc/18/52/13/1266185213.db2.gz ZGEVUHMKTZHLSU-MDZRGWNJSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001331293341 1266185216 /nfs/dbraw/zinc/18/52/16/1266185216.db2.gz ZGEVUHMKTZHLSU-MDZRGWNJSA-N 2 2 368.522 0.774 20 0 FCADLP Cn1[nH]c(C[N@@H+]2CC[C@@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]32)nc1=O ZINC001084957668 1258469198 /nfs/dbraw/zinc/46/91/98/1258469198.db2.gz OEOMOVPLVFPNGD-KGLIPLIRSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[N@H+]2CC[C@@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]32)nc1=O ZINC001084957668 1258469202 /nfs/dbraw/zinc/46/92/02/1258469202.db2.gz OEOMOVPLVFPNGD-KGLIPLIRSA-N 2 2 362.478 0.016 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21)NC1CC1 ZINC001084957956 1258469670 /nfs/dbraw/zinc/46/96/70/1258469670.db2.gz GIOUEIAUVJKQJM-OIISXLGYSA-N 2 2 371.485 0.962 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21)NC1CC1 ZINC001084957956 1258469674 /nfs/dbraw/zinc/46/96/74/1258469674.db2.gz GIOUEIAUVJKQJM-OIISXLGYSA-N 2 2 371.485 0.962 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001084990124 1258501120 /nfs/dbraw/zinc/50/11/20/1258501120.db2.gz ANEDNGDCYRYLCE-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001084990124 1258501122 /nfs/dbraw/zinc/50/11/22/1258501122.db2.gz ANEDNGDCYRYLCE-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001085001449 1258508777 /nfs/dbraw/zinc/50/87/77/1258508777.db2.gz CTJKFSTYHPRIJO-WBVHZDCISA-N 2 2 359.474 0.817 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001085001449 1258508783 /nfs/dbraw/zinc/50/87/83/1258508783.db2.gz CTJKFSTYHPRIJO-WBVHZDCISA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nncn4C)[C@H]3C2)CC[N@@H+]1C ZINC001085017455 1258523008 /nfs/dbraw/zinc/52/30/08/1258523008.db2.gz HNMPAUYCUHSEAK-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4nncn4C)[C@H]3C2)CC[N@H+]1C ZINC001085017455 1258523016 /nfs/dbraw/zinc/52/30/16/1258523016.db2.gz HNMPAUYCUHSEAK-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4nncn4C)[C@H]3C2)CC[NH+]1C ZINC001085017455 1258523019 /nfs/dbraw/zinc/52/30/19/1258523019.db2.gz HNMPAUYCUHSEAK-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4nncn4C)[C@H]3C2)CC[NH+]1C ZINC001085017455 1258523026 /nfs/dbraw/zinc/52/30/26/1258523026.db2.gz HNMPAUYCUHSEAK-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ncnn4C)[C@H]3C2)CC[N@@H+]1C ZINC001085017429 1258523048 /nfs/dbraw/zinc/52/30/48/1258523048.db2.gz FVIUCNOTDRWWDU-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ncnn4C)[C@H]3C2)CC[N@H+]1C ZINC001085017429 1258523054 /nfs/dbraw/zinc/52/30/54/1258523054.db2.gz FVIUCNOTDRWWDU-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4C)[C@H]3C2)CC[NH+]1C ZINC001085017429 1258523061 /nfs/dbraw/zinc/52/30/61/1258523061.db2.gz FVIUCNOTDRWWDU-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4C)[C@H]3C2)CC[NH+]1C ZINC001085017429 1258523066 /nfs/dbraw/zinc/52/30/66/1258523066.db2.gz FVIUCNOTDRWWDU-YVSFHVDLSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1)[NH+](C)C ZINC001085024760 1258529878 /nfs/dbraw/zinc/52/98/78/1258529878.db2.gz AWMXXRDXOUGQDQ-IJEWVQPXSA-N 2 2 364.494 0.117 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1)[NH+](C)C ZINC001085024760 1258529883 /nfs/dbraw/zinc/52/98/83/1258529883.db2.gz AWMXXRDXOUGQDQ-IJEWVQPXSA-N 2 2 364.494 0.117 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001085037195 1258540122 /nfs/dbraw/zinc/54/01/22/1258540122.db2.gz NUGXRZSJGVBSGP-ANQUJSFKSA-N 2 2 359.474 0.535 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001085037195 1258540128 /nfs/dbraw/zinc/54/01/28/1258540128.db2.gz NUGXRZSJGVBSGP-ANQUJSFKSA-N 2 2 359.474 0.535 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]32)n1 ZINC001085050117 1258546845 /nfs/dbraw/zinc/54/68/45/1258546845.db2.gz YIQLCNCMVWWELB-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]32)n1 ZINC001085050117 1258546849 /nfs/dbraw/zinc/54/68/49/1258546849.db2.gz YIQLCNCMVWWELB-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001085064359 1258559852 /nfs/dbraw/zinc/55/98/52/1258559852.db2.gz VYGIWROJBACGAQ-CJNGLKHVSA-N 2 2 354.414 0.289 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001085064359 1258559855 /nfs/dbraw/zinc/55/98/55/1258559855.db2.gz VYGIWROJBACGAQ-CJNGLKHVSA-N 2 2 354.414 0.289 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001085158933 1258610807 /nfs/dbraw/zinc/61/08/07/1258610807.db2.gz BPMAGQFZBNQVHE-INMHGKMJSA-N 2 2 364.494 0.454 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001085158933 1258610815 /nfs/dbraw/zinc/61/08/15/1258610815.db2.gz BPMAGQFZBNQVHE-INMHGKMJSA-N 2 2 364.494 0.454 20 0 FCADLP COCC1(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)CC[NH2+]CC1 ZINC001521886032 1266200594 /nfs/dbraw/zinc/20/05/94/1266200594.db2.gz XADPXRIPHQMNEI-AWEZNQCLSA-N 2 2 350.463 0.174 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)n1 ZINC001088140398 1258652535 /nfs/dbraw/zinc/65/25/35/1258652535.db2.gz JWADLYAARUIJFI-SJORKVTESA-N 2 2 361.490 0.423 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)n1 ZINC001088140398 1258652544 /nfs/dbraw/zinc/65/25/44/1258652544.db2.gz JWADLYAARUIJFI-SJORKVTESA-N 2 2 361.490 0.423 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)n1 ZINC001088171934 1258694250 /nfs/dbraw/zinc/69/42/50/1258694250.db2.gz NQGMNVNCVUSGRL-CVEARBPZSA-N 2 2 358.490 0.674 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)n1 ZINC001088171934 1258694255 /nfs/dbraw/zinc/69/42/55/1258694255.db2.gz NQGMNVNCVUSGRL-CVEARBPZSA-N 2 2 358.490 0.674 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183478 1258704373 /nfs/dbraw/zinc/70/43/73/1258704373.db2.gz IMXCKYDSRBLRBP-HLLBOEOZSA-N 2 2 359.474 0.662 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088183478 1258704381 /nfs/dbraw/zinc/70/43/81/1258704381.db2.gz IMXCKYDSRBLRBP-HLLBOEOZSA-N 2 2 359.474 0.662 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088748848 1258756969 /nfs/dbraw/zinc/75/69/69/1258756969.db2.gz ZBMBAMWIQJXCPJ-PBHICJAKSA-N 2 2 371.441 0.386 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088748848 1258756976 /nfs/dbraw/zinc/75/69/76/1258756976.db2.gz ZBMBAMWIQJXCPJ-PBHICJAKSA-N 2 2 371.441 0.386 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@H](C)C2)n1 ZINC001092734993 1258824148 /nfs/dbraw/zinc/82/41/48/1258824148.db2.gz MCHGHQCKFRGHEO-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@H](C)C2)n1 ZINC001092734993 1258824153 /nfs/dbraw/zinc/82/41/53/1258824153.db2.gz MCHGHQCKFRGHEO-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@H](C)C2)n1 ZINC001092734993 1258824159 /nfs/dbraw/zinc/82/41/59/1258824159.db2.gz MCHGHQCKFRGHEO-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@H](C)C2)n1 ZINC001092734993 1258824168 /nfs/dbraw/zinc/82/41/68/1258824168.db2.gz MCHGHQCKFRGHEO-RBSFLKMASA-N 2 2 365.478 0.884 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735852 1258824771 /nfs/dbraw/zinc/82/47/71/1258824771.db2.gz HGOWUMCZRSVGFE-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735852 1258824774 /nfs/dbraw/zinc/82/47/74/1258824774.db2.gz HGOWUMCZRSVGFE-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092735852 1258824775 /nfs/dbraw/zinc/82/47/75/1258824775.db2.gz HGOWUMCZRSVGFE-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092735852 1258824781 /nfs/dbraw/zinc/82/47/81/1258824781.db2.gz HGOWUMCZRSVGFE-OAGGEKHMSA-N 2 2 363.510 0.752 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419045 1258911144 /nfs/dbraw/zinc/91/11/44/1258911144.db2.gz NOBGPWHYTKPFAC-QDIHITRGSA-N 2 2 359.474 0.866 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419045 1258911151 /nfs/dbraw/zinc/91/11/51/1258911151.db2.gz NOBGPWHYTKPFAC-QDIHITRGSA-N 2 2 359.474 0.866 20 0 FCADLP CN(C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001100686302 1258913827 /nfs/dbraw/zinc/91/38/27/1258913827.db2.gz CFRYOUXXHPXMCQ-BCAXMMLOSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104364108 1258916235 /nfs/dbraw/zinc/91/62/35/1258916235.db2.gz XQKSSLVTTXAVMM-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106677988 1258940166 /nfs/dbraw/zinc/94/01/66/1258940166.db2.gz RSNOKMOVNAWNKX-MUIFIZLQSA-N 2 2 373.501 0.829 20 0 FCADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C3)[nH+]c12 ZINC001106763737 1258957447 /nfs/dbraw/zinc/95/74/47/1258957447.db2.gz QIGJCLGIUCTBLJ-RBSFLKMASA-N 2 2 357.458 0.743 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001106799854 1258965574 /nfs/dbraw/zinc/96/55/74/1258965574.db2.gz UFIXRMOCZKEVEI-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(N)=O ZINC001106869850 1258983139 /nfs/dbraw/zinc/98/31/39/1258983139.db2.gz OPCGVHGHEMMFDZ-IIAWOOMASA-N 2 2 370.457 0.829 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874850 1258985076 /nfs/dbraw/zinc/98/50/76/1258985076.db2.gz VKWDOSUKXHCACP-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001106877107 1258985296 /nfs/dbraw/zinc/98/52/96/1258985296.db2.gz MRIDOEFOEQRLEI-NUJGCVRESA-N 2 2 364.490 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCCO[C@@H]1CCOC1 ZINC001106877106 1258985319 /nfs/dbraw/zinc/98/53/19/1258985319.db2.gz MRIDOEFOEQRLEI-JFIYKMOQSA-N 2 2 364.490 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106877193 1258986260 /nfs/dbraw/zinc/98/62/60/1258986260.db2.gz RFZXEEDBTYWSOM-ZIAGYGMSSA-N 2 2 371.445 0.075 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079179 1259029577 /nfs/dbraw/zinc/02/95/77/1259029577.db2.gz WHEWZLAVQIOTEB-BZUAXINKSA-N 2 2 365.478 0.108 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC1CC1)CC2 ZINC001107560352 1259118944 /nfs/dbraw/zinc/11/89/44/1259118944.db2.gz IIHRQQBDQMDEBX-VQIMIIECSA-N 2 2 359.474 0.839 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC1CC1)CC2 ZINC001107560352 1259118949 /nfs/dbraw/zinc/11/89/49/1259118949.db2.gz IIHRQQBDQMDEBX-VQIMIIECSA-N 2 2 359.474 0.839 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[N@H+](Cc1cnon1)CC2 ZINC001107580264 1259124940 /nfs/dbraw/zinc/12/49/40/1259124940.db2.gz YDLPROKOZYUEMG-SJLPKXTDSA-N 2 2 363.462 0.653 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnon1)CC2 ZINC001107580264 1259124942 /nfs/dbraw/zinc/12/49/42/1259124942.db2.gz YDLPROKOZYUEMG-SJLPKXTDSA-N 2 2 363.462 0.653 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543536 1259165350 /nfs/dbraw/zinc/16/53/50/1259165350.db2.gz GPOWQUIZTNEERS-VCBZYWHSSA-N 2 2 361.490 0.943 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543536 1259165354 /nfs/dbraw/zinc/16/53/54/1259165354.db2.gz GPOWQUIZTNEERS-VCBZYWHSSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001127547104 1259179138 /nfs/dbraw/zinc/17/91/38/1259179138.db2.gz ASSRTNOUXNNXBF-BZUAXINKSA-N 2 2 359.474 0.481 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCF)n3CC2)CC[N@@H+]1C ZINC001128006747 1259190569 /nfs/dbraw/zinc/19/05/69/1259190569.db2.gz XATCOEUSXKCRPU-SOUVJXGZSA-N 2 2 366.485 0.889 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCc3nnc(C[NH2+]CCF)n3CC2)CC[N@H+]1C ZINC001128006747 1259190572 /nfs/dbraw/zinc/19/05/72/1259190572.db2.gz XATCOEUSXKCRPU-SOUVJXGZSA-N 2 2 366.485 0.889 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129084568 1259308465 /nfs/dbraw/zinc/30/84/65/1259308465.db2.gz NXPXZHYZEPPKJC-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129084568 1259308472 /nfs/dbraw/zinc/30/84/72/1259308472.db2.gz NXPXZHYZEPPKJC-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129084568 1259308479 /nfs/dbraw/zinc/30/84/79/1259308479.db2.gz NXPXZHYZEPPKJC-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129084568 1259308485 /nfs/dbraw/zinc/30/84/85/1259308485.db2.gz NXPXZHYZEPPKJC-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001160651619 1259386008 /nfs/dbraw/zinc/38/60/08/1259386008.db2.gz SRZBFACKPSNDJV-MWDXBVQZSA-N 2 2 358.442 0.545 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187303935 1259400095 /nfs/dbraw/zinc/40/00/95/1259400095.db2.gz ABXJIQCEYDEHHO-BHYGNILZSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187303935 1259400100 /nfs/dbraw/zinc/40/01/00/1259400100.db2.gz ABXJIQCEYDEHHO-BHYGNILZSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187303935 1259400107 /nfs/dbraw/zinc/40/01/07/1259400107.db2.gz ABXJIQCEYDEHHO-BHYGNILZSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187303935 1259400109 /nfs/dbraw/zinc/40/01/09/1259400109.db2.gz ABXJIQCEYDEHHO-BHYGNILZSA-N 2 2 350.507 0.918 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001200730179 1259420439 /nfs/dbraw/zinc/42/04/39/1259420439.db2.gz RITLHMKDXNPZSU-RBSFLKMASA-N 2 2 359.434 0.012 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001200730179 1259420444 /nfs/dbraw/zinc/42/04/44/1259420444.db2.gz RITLHMKDXNPZSU-RBSFLKMASA-N 2 2 359.434 0.012 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707506 1259427472 /nfs/dbraw/zinc/42/74/72/1259427472.db2.gz WTOQOMXSTJKBRH-FHLIZLRMSA-N 2 2 369.469 0.681 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212289878 1259454618 /nfs/dbraw/zinc/45/46/18/1259454618.db2.gz QYHONMKCLJHISG-ARFHVFGLSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212289878 1259454623 /nfs/dbraw/zinc/45/46/23/1259454623.db2.gz QYHONMKCLJHISG-ARFHVFGLSA-N 2 2 366.506 0.058 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304392 1259458814 /nfs/dbraw/zinc/45/88/14/1259458814.db2.gz WTJKXURIXRXNCM-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304392 1259458816 /nfs/dbraw/zinc/45/88/16/1259458816.db2.gz WTJKXURIXRXNCM-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304392 1259458819 /nfs/dbraw/zinc/45/88/19/1259458819.db2.gz WTJKXURIXRXNCM-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212304392 1259458826 /nfs/dbraw/zinc/45/88/26/1259458826.db2.gz WTJKXURIXRXNCM-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP CON(C)C(=O)c1cccc(-c2noc([C@@H](N)C[NH+]3CCC([NH3+])CC3)n2)c1 ZINC001212314436 1259462832 /nfs/dbraw/zinc/46/28/32/1259462832.db2.gz BHLSFZQTPQRGTJ-HNNXBMFYSA-N 2 2 374.445 0.793 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403025 1259489320 /nfs/dbraw/zinc/48/93/20/1259489320.db2.gz AAJFIIIDZRQWCW-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403025 1259489324 /nfs/dbraw/zinc/48/93/24/1259489324.db2.gz AAJFIIIDZRQWCW-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418152 1259496894 /nfs/dbraw/zinc/49/68/94/1259496894.db2.gz BVNJMPZRPUVNDD-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418152 1259496895 /nfs/dbraw/zinc/49/68/95/1259496895.db2.gz BVNJMPZRPUVNDD-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418152 1259496897 /nfs/dbraw/zinc/49/68/97/1259496897.db2.gz BVNJMPZRPUVNDD-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418152 1259496899 /nfs/dbraw/zinc/49/68/99/1259496899.db2.gz BVNJMPZRPUVNDD-BRWVUGGUSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418107 1259497411 /nfs/dbraw/zinc/49/74/11/1259497411.db2.gz BEOMONDUOFOSSI-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418107 1259497414 /nfs/dbraw/zinc/49/74/14/1259497414.db2.gz BEOMONDUOFOSSI-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418107 1259497417 /nfs/dbraw/zinc/49/74/17/1259497417.db2.gz BEOMONDUOFOSSI-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418107 1259497419 /nfs/dbraw/zinc/49/74/19/1259497419.db2.gz BEOMONDUOFOSSI-FVQBIDKESA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418482 1259497979 /nfs/dbraw/zinc/49/79/79/1259497979.db2.gz ICMKLHFFAKLTMW-USXIJHARSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418482 1259497983 /nfs/dbraw/zinc/49/79/83/1259497983.db2.gz ICMKLHFFAKLTMW-USXIJHARSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418482 1259497986 /nfs/dbraw/zinc/49/79/86/1259497986.db2.gz ICMKLHFFAKLTMW-USXIJHARSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418482 1259497990 /nfs/dbraw/zinc/49/79/90/1259497990.db2.gz ICMKLHFFAKLTMW-USXIJHARSA-N 2 2 368.522 0.447 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495581 1259525703 /nfs/dbraw/zinc/52/57/03/1259525703.db2.gz KEDVHDUMHIIISR-OWCLPIDISA-N 2 2 368.522 0.719 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495581 1259525704 /nfs/dbraw/zinc/52/57/04/1259525704.db2.gz KEDVHDUMHIIISR-OWCLPIDISA-N 2 2 368.522 0.719 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495581 1259525707 /nfs/dbraw/zinc/52/57/07/1259525707.db2.gz KEDVHDUMHIIISR-OWCLPIDISA-N 2 2 368.522 0.719 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495581 1259525712 /nfs/dbraw/zinc/52/57/12/1259525712.db2.gz KEDVHDUMHIIISR-OWCLPIDISA-N 2 2 368.522 0.719 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)O1 ZINC001235643122 1259580311 /nfs/dbraw/zinc/58/03/11/1259580311.db2.gz IEMXEKFKIYYOHN-LUKYLMHMSA-N 2 2 367.490 0.992 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)O1 ZINC001235643122 1259580319 /nfs/dbraw/zinc/58/03/19/1259580319.db2.gz IEMXEKFKIYYOHN-LUKYLMHMSA-N 2 2 367.490 0.992 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658286 1259580537 /nfs/dbraw/zinc/58/05/37/1259580537.db2.gz XDMFUICCLDBSSS-FCEWJHQRSA-N 2 2 367.490 0.441 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658286 1259580545 /nfs/dbraw/zinc/58/05/45/1259580545.db2.gz XDMFUICCLDBSSS-FCEWJHQRSA-N 2 2 367.490 0.441 20 0 FCADLP CC1([NH+]2CCN(Cc3cccc(C(=O)NCC[NH3+])c3)CC2)CC[NH2+]CC1 ZINC001235823334 1259583015 /nfs/dbraw/zinc/58/30/15/1259583015.db2.gz WEAJYWXZSQNSOP-UHFFFAOYSA-N 3 2 359.518 0.635 20 0 FCADLP CC1(N2CC[NH+](Cc3cccc(C(=O)NCC[NH3+])c3)CC2)CC[NH2+]CC1 ZINC001235823334 1259583022 /nfs/dbraw/zinc/58/30/22/1259583022.db2.gz WEAJYWXZSQNSOP-UHFFFAOYSA-N 3 2 359.518 0.635 20 0 FCADLP C[NH+]1CCN(c2ccc(-c3cnc(N4CC[NH+](C)CC4)nc3)nn2)CC1 ZINC001235912442 1259584656 /nfs/dbraw/zinc/58/46/56/1259584656.db2.gz CEDBSHSIKPIJSF-UHFFFAOYSA-N 2 2 354.462 0.437 20 0 FCADLP COC(=O)[C@@H]1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC001236345176 1259590444 /nfs/dbraw/zinc/59/04/44/1259590444.db2.gz DARXQZOKGOZRJD-QZTJIDSGSA-N 2 2 363.458 0.330 20 0 FCADLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)CC[C@@H]21 ZINC001237695512 1259609455 /nfs/dbraw/zinc/60/94/55/1259609455.db2.gz SCAXKNGMWZSORS-SQNIBIBYSA-N 2 2 354.458 0.972 20 0 FCADLP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)CC[C@@H]21 ZINC001237695512 1259609460 /nfs/dbraw/zinc/60/94/60/1259609460.db2.gz SCAXKNGMWZSORS-SQNIBIBYSA-N 2 2 354.458 0.972 20 0 FCADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)CC[C@@H]21 ZINC001237695512 1259609468 /nfs/dbraw/zinc/60/94/68/1259609468.db2.gz SCAXKNGMWZSORS-SQNIBIBYSA-N 2 2 354.458 0.972 20 0 FCADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)CC[C@@H]21 ZINC001237695512 1259609474 /nfs/dbraw/zinc/60/94/74/1259609474.db2.gz SCAXKNGMWZSORS-SQNIBIBYSA-N 2 2 354.458 0.972 20 0 FCADLP O=C(Nc1cc(F)cc2c1OCOC2)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239285926 1259624812 /nfs/dbraw/zinc/62/48/12/1259624812.db2.gz ADAJQCMZLWOYDH-UHFFFAOYSA-N 2 2 367.425 0.309 20 0 FCADLP C[NH+]1CCN(C(=O)c2cccc(-c3ccc(N4CC[NH2+]CC4)nn3)c2)CC1 ZINC001241876801 1259631951 /nfs/dbraw/zinc/63/19/51/1259631951.db2.gz VFAVJTLRXCXFCJ-UHFFFAOYSA-N 2 2 366.469 0.941 20 0 FCADLP COC(=O)c1cnc(C2CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)s1 ZINC001335383613 1259636202 /nfs/dbraw/zinc/63/62/02/1259636202.db2.gz UMFJNQHWILXKND-UHFFFAOYSA-N 2 2 352.460 0.541 20 0 FCADLP O[C@]1(C[N@H+]2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)CCC[NH2+]C1 ZINC001246042751 1259644970 /nfs/dbraw/zinc/64/49/70/1259644970.db2.gz HOIGVIHJEKTHSW-LJQANCHMSA-N 3 2 363.506 0.472 20 0 FCADLP O=C(NCc1cn2c(n1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2)C1CCC1 ZINC001246704918 1259664818 /nfs/dbraw/zinc/66/48/18/1259664818.db2.gz MUEXVRBMOVWODR-INIZCTEOSA-N 2 2 358.490 0.209 20 0 FCADLP O=C(NCc1cn2c(n1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2)C1CCC1 ZINC001246704918 1259664828 /nfs/dbraw/zinc/66/48/28/1259664828.db2.gz MUEXVRBMOVWODR-INIZCTEOSA-N 2 2 358.490 0.209 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H]1CCC[NH2+]C1)C2 ZINC001246730790 1259670247 /nfs/dbraw/zinc/67/02/47/1259670247.db2.gz NATMSIYLMBJSHS-IAGOWNOFSA-N 2 2 363.506 0.420 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC001331755519 1266278730 /nfs/dbraw/zinc/27/87/30/1266278730.db2.gz YYOSXBLXKLKVOV-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC001331755519 1266278735 /nfs/dbraw/zinc/27/87/35/1266278735.db2.gz YYOSXBLXKLKVOV-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP CC(=O)c1cccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247331695 1259699507 /nfs/dbraw/zinc/69/95/07/1259699507.db2.gz GOXSQSQSZGYHQV-AWEZNQCLSA-N 2 2 354.370 0.849 20 0 FCADLP c1cc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)ccc1C[NH+]1CCOCC1 ZINC001247828291 1259705504 /nfs/dbraw/zinc/70/55/04/1259705504.db2.gz CFLFTJCVIBUYOA-MRXNPFEDSA-N 3 2 355.442 0.845 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC001331755514 1266279601 /nfs/dbraw/zinc/27/96/01/1266279601.db2.gz YYOSXBLXKLKVOV-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC001331755514 1266279607 /nfs/dbraw/zinc/27/96/07/1266279607.db2.gz YYOSXBLXKLKVOV-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP CN(C(=O)C(=O)N1CCC(C)(F)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335564565 1259719461 /nfs/dbraw/zinc/71/94/61/1259719461.db2.gz ZCOAXTKHZPXCBR-INIZCTEOSA-N 2 2 368.497 0.964 20 0 FCADLP CN(C(=O)C(=O)N1CCC(C)(F)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335564565 1259719464 /nfs/dbraw/zinc/71/94/64/1259719464.db2.gz ZCOAXTKHZPXCBR-INIZCTEOSA-N 2 2 368.497 0.964 20 0 FCADLP O[C@@H](CN1CC[N@@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251017531 1259730611 /nfs/dbraw/zinc/73/06/11/1259730611.db2.gz SBUBCEYIYJTQOU-QWFCFKBJSA-N 2 2 361.486 0.517 20 0 FCADLP O[C@@H](CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251017531 1259730618 /nfs/dbraw/zinc/73/06/18/1259730618.db2.gz SBUBCEYIYJTQOU-QWFCFKBJSA-N 2 2 361.486 0.517 20 0 FCADLP COc1cc(N2CC[NH+](C)CC2)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251021836 1259733067 /nfs/dbraw/zinc/73/30/67/1259733067.db2.gz AKMULSUTLQLZKL-KRWDZBQOSA-N 2 2 364.490 0.552 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C[C@@H](O)COc1ccccc1)CCC2 ZINC001251178112 1259740407 /nfs/dbraw/zinc/74/04/07/1259740407.db2.gz MHEYMMGSVAGXDY-QGZVFWFLSA-N 2 2 372.469 0.951 20 0 FCADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C[C@@H](O)COc1ccccc1)CCC2 ZINC001251178112 1259740413 /nfs/dbraw/zinc/74/04/13/1259740413.db2.gz MHEYMMGSVAGXDY-QGZVFWFLSA-N 2 2 372.469 0.951 20 0 FCADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001252419464 1259786200 /nfs/dbraw/zinc/78/62/00/1259786200.db2.gz ZDGFXJURAMMHLL-VSZNYVQBSA-N 2 2 362.474 0.592 20 0 FCADLP COC(=O)[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001252419464 1259786206 /nfs/dbraw/zinc/78/62/06/1259786206.db2.gz ZDGFXJURAMMHLL-VSZNYVQBSA-N 2 2 362.474 0.592 20 0 FCADLP COC(=O)[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001252419464 1259786213 /nfs/dbraw/zinc/78/62/13/1259786213.db2.gz ZDGFXJURAMMHLL-VSZNYVQBSA-N 2 2 362.474 0.592 20 0 FCADLP COC(=O)[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001252419464 1259786216 /nfs/dbraw/zinc/78/62/16/1259786216.db2.gz ZDGFXJURAMMHLL-VSZNYVQBSA-N 2 2 362.474 0.592 20 0 FCADLP CCCCOC[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001252502451 1259794363 /nfs/dbraw/zinc/79/43/63/1259794363.db2.gz WOEVYVZXJPGQOA-INIZCTEOSA-N 2 2 367.494 0.489 20 0 FCADLP CCC[C@H](O)C[N@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252781362 1259807997 /nfs/dbraw/zinc/80/79/97/1259807997.db2.gz GYZWHCBMSCZPRN-SJORKVTESA-N 2 2 366.506 0.829 20 0 FCADLP CCC[C@H](O)C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001252781362 1259808000 /nfs/dbraw/zinc/80/80/00/1259808000.db2.gz GYZWHCBMSCZPRN-SJORKVTESA-N 2 2 366.506 0.829 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001253182426 1259827568 /nfs/dbraw/zinc/82/75/68/1259827568.db2.gz PIDRZXSJOLITDL-FRQCXROJSA-N 2 2 371.522 0.850 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001253182426 1259827579 /nfs/dbraw/zinc/82/75/79/1259827579.db2.gz PIDRZXSJOLITDL-FRQCXROJSA-N 2 2 371.522 0.850 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC001253187175 1259829039 /nfs/dbraw/zinc/82/90/39/1259829039.db2.gz WLKXRVNCEADVRU-IRXDYDNUSA-N 2 2 363.506 0.561 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001253204058 1259830834 /nfs/dbraw/zinc/83/08/34/1259830834.db2.gz PENDVXCPAWBGMI-ZNMIVQPWSA-N 2 2 373.494 0.830 20 0 FCADLP CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(N)=O ZINC001253412288 1259839875 /nfs/dbraw/zinc/83/98/75/1259839875.db2.gz DYDLAOIANDZFAI-JYJNAYRXSA-N 2 2 372.554 0.756 20 0 FCADLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680923 1259851466 /nfs/dbraw/zinc/85/14/66/1259851466.db2.gz VDMDXYSCUJIOAR-UGUYLWEFSA-N 2 2 365.478 0.375 20 0 FCADLP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680923 1259851471 /nfs/dbraw/zinc/85/14/71/1259851471.db2.gz VDMDXYSCUJIOAR-UGUYLWEFSA-N 2 2 365.478 0.375 20 0 FCADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680923 1259851476 /nfs/dbraw/zinc/85/14/76/1259851476.db2.gz VDMDXYSCUJIOAR-UGUYLWEFSA-N 2 2 365.478 0.375 20 0 FCADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680923 1259851484 /nfs/dbraw/zinc/85/14/84/1259851484.db2.gz VDMDXYSCUJIOAR-UGUYLWEFSA-N 2 2 365.478 0.375 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383642 1259879527 /nfs/dbraw/zinc/87/95/27/1259879527.db2.gz VMXOBMMROYWLTD-HUUCEWRRSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383642 1259879535 /nfs/dbraw/zinc/87/95/35/1259879535.db2.gz VMXOBMMROYWLTD-HUUCEWRRSA-N 2 2 363.506 0.465 20 0 FCADLP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856075 1259897654 /nfs/dbraw/zinc/89/76/54/1259897654.db2.gz DKDRWEUBMGRWLZ-ICSRJNTNSA-N 2 2 364.534 0.631 20 0 FCADLP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856075 1259897662 /nfs/dbraw/zinc/89/76/62/1259897662.db2.gz DKDRWEUBMGRWLZ-ICSRJNTNSA-N 2 2 364.534 0.631 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C1 ZINC001256054556 1259932314 /nfs/dbraw/zinc/93/23/14/1259932314.db2.gz XJSHVNCXBVRZMC-GJZGRUSLSA-N 2 2 362.478 0.982 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001256074308 1259934210 /nfs/dbraw/zinc/93/42/10/1259934210.db2.gz RHQRXRCUUGXNEL-KSSFIOAISA-N 2 2 358.486 0.804 20 0 FCADLP CC[NH+]1CCC(NC(=O)Cn2cc(C[NH+]3CCC(OC)CC3)nn2)CC1 ZINC001331873813 1266298506 /nfs/dbraw/zinc/29/85/06/1266298506.db2.gz MZLCOBPAYZXXGE-UHFFFAOYSA-N 2 2 364.494 0.489 20 0 FCADLP NS(=O)(=O)CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001336775624 1260219557 /nfs/dbraw/zinc/21/95/57/1260219557.db2.gz NBVRNJRJEVGSCH-SFHVURJKSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001336775624 1260219568 /nfs/dbraw/zinc/21/95/68/1260219568.db2.gz NBVRNJRJEVGSCH-SFHVURJKSA-N 2 2 367.515 0.624 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)no1 ZINC001262029593 1260247344 /nfs/dbraw/zinc/24/73/44/1260247344.db2.gz DRCNGBJPFFXVCU-HNNXBMFYSA-N 2 2 365.478 0.263 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)no1 ZINC001262029593 1260247353 /nfs/dbraw/zinc/24/73/53/1260247353.db2.gz DRCNGBJPFFXVCU-HNNXBMFYSA-N 2 2 365.478 0.263 20 0 FCADLP Cn1cc(Br)c(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001336894188 1260247858 /nfs/dbraw/zinc/24/78/58/1260247858.db2.gz MBUQFOXTTZSKLW-UHFFFAOYSA-N 2 2 359.272 0.405 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046304 1260250003 /nfs/dbraw/zinc/25/00/03/1260250003.db2.gz NHJQXIPETSROPE-PKOBYXMFSA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046304 1260250011 /nfs/dbraw/zinc/25/00/11/1260250011.db2.gz NHJQXIPETSROPE-PKOBYXMFSA-N 2 2 360.502 0.908 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@H](C)C1 ZINC001336943575 1260262379 /nfs/dbraw/zinc/26/23/79/1260262379.db2.gz YCYKIWVTFXPBML-SJORKVTESA-N 2 2 355.527 0.158 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@H](C)C1 ZINC001336943575 1260262385 /nfs/dbraw/zinc/26/23/85/1260262385.db2.gz YCYKIWVTFXPBML-SJORKVTESA-N 2 2 355.527 0.158 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC001262123563 1260263906 /nfs/dbraw/zinc/26/39/06/1260263906.db2.gz LSHZPKKELSUKJP-CYBMUJFWSA-N 2 2 372.460 0.917 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC001262123563 1260263913 /nfs/dbraw/zinc/26/39/13/1260263913.db2.gz LSHZPKKELSUKJP-CYBMUJFWSA-N 2 2 372.460 0.917 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc[nH+]1 ZINC001262360283 1260307249 /nfs/dbraw/zinc/30/72/49/1260307249.db2.gz BXCNPNIWTZIEIG-LSDHHAIUSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc[nH+]1 ZINC001262360283 1260307254 /nfs/dbraw/zinc/30/72/54/1260307254.db2.gz BXCNPNIWTZIEIG-LSDHHAIUSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]cn1 ZINC001262360283 1260307260 /nfs/dbraw/zinc/30/72/60/1260307260.db2.gz BXCNPNIWTZIEIG-LSDHHAIUSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]cn1 ZINC001262360283 1260307267 /nfs/dbraw/zinc/30/72/67/1260307267.db2.gz BXCNPNIWTZIEIG-LSDHHAIUSA-N 2 2 362.478 0.402 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001262365680 1260308081 /nfs/dbraw/zinc/30/80/81/1260308081.db2.gz JCQBOGWTZQHEIX-IXDOHACOSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001262365680 1260308088 /nfs/dbraw/zinc/30/80/88/1260308088.db2.gz JCQBOGWTZQHEIX-IXDOHACOSA-N 2 2 359.474 0.901 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3n(n1)CCC[N@H+](C)C3)C2 ZINC001271515414 1260430562 /nfs/dbraw/zinc/43/05/62/1260430562.db2.gz ORJIEQLJMDRLRY-CVEARBPZSA-N 2 2 360.506 0.427 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3n(n1)CCC[N@@H+](C)C3)C2 ZINC001271515414 1260430576 /nfs/dbraw/zinc/43/05/76/1260430576.db2.gz ORJIEQLJMDRLRY-CVEARBPZSA-N 2 2 360.506 0.427 20 0 FCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001273191831 1260619945 /nfs/dbraw/zinc/61/99/45/1260619945.db2.gz JEVGVGDRRXAUEM-FCEWJHQRSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[N@H+](C)CCO2)n(C)n1 ZINC001273216967 1260625890 /nfs/dbraw/zinc/62/58/90/1260625890.db2.gz JSZYVCJTQZVYET-YCXXCVGLSA-N 2 2 361.490 0.671 20 0 FCADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[N@@H+](C)CCO2)n(C)n1 ZINC001273216967 1260625896 /nfs/dbraw/zinc/62/58/96/1260625896.db2.gz JSZYVCJTQZVYET-YCXXCVGLSA-N 2 2 361.490 0.671 20 0 FCADLP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001273254813 1260638339 /nfs/dbraw/zinc/63/83/39/1260638339.db2.gz MEQILOLHAAQCPB-KSZLIROESA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001273254813 1260638343 /nfs/dbraw/zinc/63/83/43/1260638343.db2.gz MEQILOLHAAQCPB-KSZLIROESA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001278182135 1260685750 /nfs/dbraw/zinc/68/57/50/1260685750.db2.gz LQDLPMADRIPOND-QYZOEREBSA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001278182135 1260685758 /nfs/dbraw/zinc/68/57/58/1260685758.db2.gz LQDLPMADRIPOND-QYZOEREBSA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001278182134 1260685931 /nfs/dbraw/zinc/68/59/31/1260685931.db2.gz LQDLPMADRIPOND-QRVBRYPASA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001278182134 1260685937 /nfs/dbraw/zinc/68/59/37/1260685937.db2.gz LQDLPMADRIPOND-QRVBRYPASA-N 2 2 361.490 0.527 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](CCN(C)C)C[C@@H]23)[nH]n1 ZINC001278486611 1260699182 /nfs/dbraw/zinc/69/91/82/1260699182.db2.gz CCCIFZRRVGTDNS-IRXDYDNUSA-N 2 2 360.506 0.292 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](CCN(C)C)C[C@@H]23)[nH]n1 ZINC001278486611 1260699189 /nfs/dbraw/zinc/69/91/89/1260699189.db2.gz CCCIFZRRVGTDNS-IRXDYDNUSA-N 2 2 360.506 0.292 20 0 FCADLP COC[C@H](O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001278627290 1260714557 /nfs/dbraw/zinc/71/45/57/1260714557.db2.gz NUAZLOMTLUKVQL-BZUAXINKSA-N 2 2 364.490 0.749 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502547 1260881307 /nfs/dbraw/zinc/88/13/07/1260881307.db2.gz SUEDNHLEDONNJU-ZACQAIPSSA-N 2 2 359.474 0.260 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502547 1260881313 /nfs/dbraw/zinc/88/13/13/1260881313.db2.gz SUEDNHLEDONNJU-ZACQAIPSSA-N 2 2 359.474 0.260 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502547 1260881317 /nfs/dbraw/zinc/88/13/17/1260881317.db2.gz SUEDNHLEDONNJU-ZACQAIPSSA-N 2 2 359.474 0.260 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502547 1260881324 /nfs/dbraw/zinc/88/13/24/1260881324.db2.gz SUEDNHLEDONNJU-ZACQAIPSSA-N 2 2 359.474 0.260 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001279571916 1260895014 /nfs/dbraw/zinc/89/50/14/1260895014.db2.gz CXDWPSMMAHSRIS-GOSISDBHSA-N 2 2 363.462 0.572 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001279571916 1260895020 /nfs/dbraw/zinc/89/50/20/1260895020.db2.gz CXDWPSMMAHSRIS-GOSISDBHSA-N 2 2 363.462 0.572 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001279571916 1260895024 /nfs/dbraw/zinc/89/50/24/1260895024.db2.gz CXDWPSMMAHSRIS-GOSISDBHSA-N 2 2 363.462 0.572 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001279571916 1260895029 /nfs/dbraw/zinc/89/50/29/1260895029.db2.gz CXDWPSMMAHSRIS-GOSISDBHSA-N 2 2 363.462 0.572 20 0 FCADLP Cn1c(C(=O)N2C[C@@H]3CC[N@H+](Cc4c[nH+]ccc4N)[C@@H]3C2)cccc1=O ZINC001279616236 1260899525 /nfs/dbraw/zinc/89/95/25/1260899525.db2.gz CASDBBFDPYUPHD-SUMWQHHRSA-N 2 2 353.426 0.539 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@H+](Cc4ncc[nH]4)C[C@@H]3O2)CC1 ZINC001279757716 1260930105 /nfs/dbraw/zinc/93/01/05/1260930105.db2.gz GZHMMKKFBOZZMU-OIISXLGYSA-N 2 2 361.490 0.942 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@@H+](Cc4ncc[nH]4)C[C@@H]3O2)CC1 ZINC001279757716 1260930108 /nfs/dbraw/zinc/93/01/08/1260930108.db2.gz GZHMMKKFBOZZMU-OIISXLGYSA-N 2 2 361.490 0.942 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC001332329017 1266377863 /nfs/dbraw/zinc/37/78/63/1266377863.db2.gz YYQGJOITFQWDPD-BZUAXINKSA-N 2 2 361.490 0.835 20 0 FCADLP Cn1cncc1C[NH+]1CC2(C[C@@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280289603 1261047879 /nfs/dbraw/zinc/04/78/79/1261047879.db2.gz INIWROUTDIBTDH-MRXNPFEDSA-N 2 2 357.462 0.639 20 0 FCADLP Cc1[nH+]c[nH]c1CN1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280347487 1261060651 /nfs/dbraw/zinc/06/06/51/1261060651.db2.gz FBVPDWJDJQHEQC-GOEBONIOSA-N 2 2 360.462 0.457 20 0 FCADLP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001280532433 1261065902 /nfs/dbraw/zinc/06/59/02/1261065902.db2.gz DHEMAWGYUYNYOR-RRFJBIMHSA-N 2 2 361.490 0.829 20 0 FCADLP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001280532432 1261066035 /nfs/dbraw/zinc/06/60/35/1261066035.db2.gz DHEMAWGYUYNYOR-RBSFLKMASA-N 2 2 361.490 0.829 20 0 FCADLP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Cc1[nH]c[nH+]c1C ZINC001281325489 1261111208 /nfs/dbraw/zinc/11/12/08/1261111208.db2.gz POBMRSNVAVBUJU-HUUCEWRRSA-N 2 2 365.478 0.192 20 0 FCADLP COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Cc1[nH]c[nH+]c1C ZINC001281325489 1261111210 /nfs/dbraw/zinc/11/12/10/1261111210.db2.gz POBMRSNVAVBUJU-HUUCEWRRSA-N 2 2 365.478 0.192 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001281839223 1261223281 /nfs/dbraw/zinc/22/32/81/1261223281.db2.gz WEGLXLKLIPXUAH-INMHGKMJSA-N 2 2 365.478 0.271 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001281839223 1261223285 /nfs/dbraw/zinc/22/32/85/1261223285.db2.gz WEGLXLKLIPXUAH-INMHGKMJSA-N 2 2 365.478 0.271 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1OC)[NH+](C)C ZINC001281849501 1261232270 /nfs/dbraw/zinc/23/22/70/1261232270.db2.gz APGJXFSFGHFMLJ-OWCLPIDISA-N 2 2 365.478 0.035 20 0 FCADLP COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001475287082 1261525151 /nfs/dbraw/zinc/52/51/51/1261525151.db2.gz MIYHBQFZHUSKBG-MRXNPFEDSA-N 2 2 356.492 0.380 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001345185701 1261647512 /nfs/dbraw/zinc/64/75/12/1261647512.db2.gz LEBZAHYVIYMNJK-MRXNPFEDSA-N 2 2 371.485 0.769 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001282871207 1261661797 /nfs/dbraw/zinc/66/17/97/1261661797.db2.gz WPOHPTYEBAQXSQ-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001282871207 1261661807 /nfs/dbraw/zinc/66/18/07/1261661807.db2.gz WPOHPTYEBAQXSQ-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001345536815 1261734013 /nfs/dbraw/zinc/73/40/13/1261734013.db2.gz OOESTVQQGPHNPI-ZWKOTPCHSA-N 2 2 368.570 0.338 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001345536815 1261734016 /nfs/dbraw/zinc/73/40/16/1261734016.db2.gz OOESTVQQGPHNPI-ZWKOTPCHSA-N 2 2 368.570 0.338 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001290075720 1262376089 /nfs/dbraw/zinc/37/60/89/1262376089.db2.gz CTDKOEJKFPGOEG-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298004298 1262905487 /nfs/dbraw/zinc/90/54/87/1262905487.db2.gz VXAKGQNPPLRWOR-BZUAXINKSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001298004298 1262905493 /nfs/dbraw/zinc/90/54/93/1262905493.db2.gz VXAKGQNPPLRWOR-BZUAXINKSA-N 2 2 363.506 0.950 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](COC)c3nn[nH]n3)CC2)CC1 ZINC001303580082 1263105368 /nfs/dbraw/zinc/10/53/68/1263105368.db2.gz OUTQXQDENGIMJO-HNNXBMFYSA-N 2 2 365.482 0.200 20 0 FCADLP Cc1noc([C@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001479931128 1263417393 /nfs/dbraw/zinc/41/73/93/1263417393.db2.gz RZNDBQVEICGUTH-IJEWVQPXSA-N 2 2 364.494 0.513 20 0 FCADLP Cc1noc([C@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001479931128 1263417401 /nfs/dbraw/zinc/41/74/01/1263417401.db2.gz RZNDBQVEICGUTH-IJEWVQPXSA-N 2 2 364.494 0.513 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1C ZINC001580385336 1278202489 /nfs/dbraw/zinc/20/24/89/1278202489.db2.gz DVBHGGSONLGXEF-RHSMWYFYSA-N 2 2 369.473 0.851 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC[N@H+]1C ZINC001580385336 1278202495 /nfs/dbraw/zinc/20/24/95/1278202495.db2.gz DVBHGGSONLGXEF-RHSMWYFYSA-N 2 2 369.473 0.851 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487222879 1263596386 /nfs/dbraw/zinc/59/63/86/1263596386.db2.gz YVJYLUNOOSKILO-NUEKZKHPSA-N 2 2 361.490 0.829 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001487222879 1263596394 /nfs/dbraw/zinc/59/63/94/1263596394.db2.gz YVJYLUNOOSKILO-NUEKZKHPSA-N 2 2 361.490 0.829 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001320484173 1263801369 /nfs/dbraw/zinc/80/13/69/1263801369.db2.gz PSTQAAXOFWDRHJ-OAHLLOKOSA-N 2 2 362.478 0.440 20 0 FCADLP CN(CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001501207260 1264109611 /nfs/dbraw/zinc/10/96/11/1264109611.db2.gz KCHKIRBJFJQVCF-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001501207260 1264109620 /nfs/dbraw/zinc/10/96/20/1264109620.db2.gz KCHKIRBJFJQVCF-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCC[N@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001502375452 1264169542 /nfs/dbraw/zinc/16/95/42/1264169542.db2.gz LRSLIQAYHMCGHT-HUUCEWRRSA-N 2 2 362.478 0.329 20 0 FCADLP CN(CCC[N@@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001502375452 1264169546 /nfs/dbraw/zinc/16/95/46/1264169546.db2.gz LRSLIQAYHMCGHT-HUUCEWRRSA-N 2 2 362.478 0.329 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001322489145 1264204274 /nfs/dbraw/zinc/20/42/74/1264204274.db2.gz XQUNQCIXFJJNSC-CABCVRRESA-N 2 2 359.474 0.554 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC001322489145 1264204282 /nfs/dbraw/zinc/20/42/82/1264204282.db2.gz XQUNQCIXFJJNSC-CABCVRRESA-N 2 2 359.474 0.554 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777752 1264262305 /nfs/dbraw/zinc/26/23/05/1264262305.db2.gz BACQFRMVQFGVQF-CQSZACIVSA-N 2 2 372.460 0.775 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC001322777752 1264262317 /nfs/dbraw/zinc/26/23/17/1264262317.db2.gz BACQFRMVQFGVQF-CQSZACIVSA-N 2 2 372.460 0.775 20 0 FCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001509481078 1264456568 /nfs/dbraw/zinc/45/65/68/1264456568.db2.gz NZOZJPSFVFYQPJ-JJRVBVJISA-N 2 2 361.490 0.656 20 0 FCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001509481078 1264456577 /nfs/dbraw/zinc/45/65/77/1264456577.db2.gz NZOZJPSFVFYQPJ-JJRVBVJISA-N 2 2 361.490 0.656 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC001325071340 1264766716 /nfs/dbraw/zinc/76/67/16/1264766716.db2.gz JCJSRKVJIFRCPH-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014702 1265043571 /nfs/dbraw/zinc/04/35/71/1265043571.db2.gz ZZOPBQAEVYRRDW-AWEZNQCLSA-N 3 2 361.494 0.101 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn(C4CC[NH2+]CC4)nn3)C2)CC1 ZINC001326014702 1265043577 /nfs/dbraw/zinc/04/35/77/1265043577.db2.gz ZZOPBQAEVYRRDW-AWEZNQCLSA-N 3 2 361.494 0.101 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001326590996 1265138431 /nfs/dbraw/zinc/13/84/31/1265138431.db2.gz NQHDOMYKIUVOGV-HRCADAONSA-N 2 2 359.474 0.766 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC001326882439 1265189972 /nfs/dbraw/zinc/18/99/72/1265189972.db2.gz DEUOOMIJVGGXTJ-GMBSWORKSA-N 2 2 358.442 0.649 20 0 FCADLP C[C@@]([NH3+])(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001333260678 1266566718 /nfs/dbraw/zinc/56/67/18/1266566718.db2.gz MCSTVYRPPPMMOR-ICSRJNTNSA-N 2 2 360.502 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001526205320 1266792050 /nfs/dbraw/zinc/79/20/50/1266792050.db2.gz RAPRTJRRBQDURA-RMWBKXBUSA-N 2 2 371.485 0.581 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001526205320 1266792065 /nfs/dbraw/zinc/79/20/65/1266792065.db2.gz RAPRTJRRBQDURA-RMWBKXBUSA-N 2 2 371.485 0.581 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473165 1266901697 /nfs/dbraw/zinc/90/16/97/1266901697.db2.gz FRJUFEOUWMVJPW-FZKQIMNGSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473165 1266901705 /nfs/dbraw/zinc/90/17/05/1266901705.db2.gz FRJUFEOUWMVJPW-FZKQIMNGSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001527879153 1266933448 /nfs/dbraw/zinc/93/34/48/1266933448.db2.gz ZYSXZLGZEIVTTB-UHFFFAOYSA-N 2 2 370.494 0.187 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001527879153 1266933454 /nfs/dbraw/zinc/93/34/54/1266933454.db2.gz ZYSXZLGZEIVTTB-UHFFFAOYSA-N 2 2 370.494 0.187 20 0 FCADLP O=S1(=O)CCC([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC001334310614 1266940079 /nfs/dbraw/zinc/94/00/79/1266940079.db2.gz ZMVMMNDUNFNEFP-UHFFFAOYSA-N 2 2 367.519 0.546 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC[C@@H]21 ZINC001548393327 1267694982 /nfs/dbraw/zinc/69/49/82/1267694982.db2.gz WDVHWTUYSLOLHW-IRXDYDNUSA-N 2 2 373.505 0.605 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC[C@@H]21 ZINC001548393327 1267694990 /nfs/dbraw/zinc/69/49/90/1267694990.db2.gz WDVHWTUYSLOLHW-IRXDYDNUSA-N 2 2 373.505 0.605 20 0 FCADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@@H+]1C1CC1 ZINC001549120862 1267816530 /nfs/dbraw/zinc/81/65/30/1267816530.db2.gz BMGVWXDBFQUNQK-JXFKEZNVSA-N 2 2 374.533 0.699 20 0 FCADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)CN2CC[NH+](C)CC2)CCC[N@H+]1C1CC1 ZINC001549120862 1267816549 /nfs/dbraw/zinc/81/65/49/1267816549.db2.gz BMGVWXDBFQUNQK-JXFKEZNVSA-N 2 2 374.533 0.699 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC001549152716 1267830437 /nfs/dbraw/zinc/83/04/37/1267830437.db2.gz FLNQNAFSHFPFOX-BBRMVZONSA-N 2 2 362.478 0.771 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153066 1267830855 /nfs/dbraw/zinc/83/08/55/1267830855.db2.gz JJKXNRQORBNDQO-KMFMINBZSA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153066 1267830861 /nfs/dbraw/zinc/83/08/61/1267830861.db2.gz JJKXNRQORBNDQO-KMFMINBZSA-N 2 2 362.478 0.721 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153055 1267831831 /nfs/dbraw/zinc/83/18/31/1267831831.db2.gz JEOOGWBKXSYDDD-YOEHRIQHSA-N 2 2 362.478 0.913 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549154319 1267832585 /nfs/dbraw/zinc/83/25/85/1267832585.db2.gz VJTROGLQDFPUCS-GRDNDAEWSA-N 2 2 362.478 0.723 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549154319 1267832599 /nfs/dbraw/zinc/83/25/99/1267832599.db2.gz VJTROGLQDFPUCS-GRDNDAEWSA-N 2 2 362.478 0.723 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549154709 1267833254 /nfs/dbraw/zinc/83/32/54/1267833254.db2.gz HSOCBIJVNMJMLN-XJKSGUPXSA-N 2 2 362.478 0.866 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549158381 1267837250 /nfs/dbraw/zinc/83/72/50/1267837250.db2.gz JRHFTNYONXTAQQ-JKIFEVAISA-N 2 2 362.478 0.769 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549158381 1267837266 /nfs/dbraw/zinc/83/72/66/1267837266.db2.gz JRHFTNYONXTAQQ-JKIFEVAISA-N 2 2 362.478 0.769 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](C)C1 ZINC001549160375 1267837714 /nfs/dbraw/zinc/83/77/14/1267837714.db2.gz VZBUSPYSNNZYRG-CPUCHLNUSA-N 2 2 362.478 0.866 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](C)C1 ZINC001549160375 1267837725 /nfs/dbraw/zinc/83/77/25/1267837725.db2.gz VZBUSPYSNNZYRG-CPUCHLNUSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001549176639 1267853051 /nfs/dbraw/zinc/85/30/51/1267853051.db2.gz QUHXEHPKUPXAPM-RHSMWYFYSA-N 2 2 374.489 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001549176604 1267853240 /nfs/dbraw/zinc/85/32/40/1267853240.db2.gz PLKBYPDKPBMUST-WMLDXEAASA-N 2 2 374.489 0.915 20 0 FCADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549176322 1267853438 /nfs/dbraw/zinc/85/34/38/1267853438.db2.gz AXFFMTUHTJYZCX-YJBOKZPZSA-N 2 2 370.457 0.959 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001549176637 1267854041 /nfs/dbraw/zinc/85/40/41/1267854041.db2.gz QUHXEHPKUPXAPM-PBHICJAKSA-N 2 2 374.489 0.915 20 0 FCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549365665 1267910350 /nfs/dbraw/zinc/91/03/50/1267910350.db2.gz QDOIKDCWRNNXSI-ZACQAIPSSA-N 2 2 366.506 0.338 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549365665 1267910356 /nfs/dbraw/zinc/91/03/56/1267910356.db2.gz QDOIKDCWRNNXSI-ZACQAIPSSA-N 2 2 366.506 0.338 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2C)CC1 ZINC001338415826 1267932804 /nfs/dbraw/zinc/93/28/04/1267932804.db2.gz FBCNNHYKMPHZKK-MRXNPFEDSA-N 2 2 366.510 0.755 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2C)CC1 ZINC001338415826 1267932810 /nfs/dbraw/zinc/93/28/10/1267932810.db2.gz FBCNNHYKMPHZKK-MRXNPFEDSA-N 2 2 366.510 0.755 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001338491303 1267958880 /nfs/dbraw/zinc/95/88/80/1267958880.db2.gz GXINNSBZZLFPHM-POZUXBRTSA-N 2 2 364.490 0.609 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001338491303 1267958890 /nfs/dbraw/zinc/95/88/90/1267958890.db2.gz GXINNSBZZLFPHM-POZUXBRTSA-N 2 2 364.490 0.609 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001549995100 1268031869 /nfs/dbraw/zinc/03/18/69/1268031869.db2.gz BSYQWGRFHOSEFQ-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001549995100 1268031880 /nfs/dbraw/zinc/03/18/80/1268031880.db2.gz BSYQWGRFHOSEFQ-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP Cc1[nH+]ccn1CCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C ZINC001338733607 1268067828 /nfs/dbraw/zinc/06/78/28/1268067828.db2.gz HXUBHOUISVDEJN-INIZCTEOSA-N 2 2 359.478 0.864 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCOC[C@@H]([NH3+])C3)C2)c1 ZINC001550283199 1268103743 /nfs/dbraw/zinc/10/37/43/1268103743.db2.gz OAKAJAGTCAIMDP-ROUUACIJSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCOC[C@@H]([NH3+])C3)C2)c1 ZINC001550283199 1268103749 /nfs/dbraw/zinc/10/37/49/1268103749.db2.gz OAKAJAGTCAIMDP-ROUUACIJSA-N 2 2 362.474 0.565 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001550587287 1268137568 /nfs/dbraw/zinc/13/75/68/1268137568.db2.gz VGJGIVXAWINWLP-BRSBDYLESA-N 2 2 351.491 0.999 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001550587287 1268137574 /nfs/dbraw/zinc/13/75/74/1268137574.db2.gz VGJGIVXAWINWLP-BRSBDYLESA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550607805 1268140497 /nfs/dbraw/zinc/14/04/97/1268140497.db2.gz XLVSQDRPIJTPJC-BZSNNMDCSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550607805 1268140499 /nfs/dbraw/zinc/14/04/99/1268140499.db2.gz XLVSQDRPIJTPJC-BZSNNMDCSA-N 2 2 351.491 0.999 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[NH2+]C[C@H](O)C3)C2)c1 ZINC001550764737 1268165802 /nfs/dbraw/zinc/16/58/02/1268165802.db2.gz UPSYTVJLTQAFDA-ZWKOTPCHSA-N 2 2 362.474 0.172 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[NH2+]C[C@H](O)C3)C2)c1 ZINC001550764737 1268165812 /nfs/dbraw/zinc/16/58/12/1268165812.db2.gz UPSYTVJLTQAFDA-ZWKOTPCHSA-N 2 2 362.474 0.172 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@H](C(F)F)n3cc[nH+]c3)CC2)C1=O ZINC001550791593 1268169565 /nfs/dbraw/zinc/16/95/65/1268169565.db2.gz YVZCDVYXIZFOED-KBPBESRZSA-N 2 2 369.416 0.891 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551284797 1268222935 /nfs/dbraw/zinc/22/29/35/1268222935.db2.gz OMVLAKACTUIVOM-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001339565350 1268271542 /nfs/dbraw/zinc/27/15/42/1268271542.db2.gz LMNFGYBQXSELBS-CYBMUJFWSA-N 2 2 366.466 0.330 20 0 FCADLP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001339565350 1268271551 /nfs/dbraw/zinc/27/15/51/1268271551.db2.gz LMNFGYBQXSELBS-CYBMUJFWSA-N 2 2 366.466 0.330 20 0 FCADLP CCOC1CC(CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)([NH+]2CCOCC2)C1 ZINC001551573766 1268274690 /nfs/dbraw/zinc/27/46/90/1268274690.db2.gz GPXFXLFMVQUYMQ-SYQKBPBVSA-N 2 2 352.479 0.435 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)C1 ZINC001551596330 1268281854 /nfs/dbraw/zinc/28/18/54/1268281854.db2.gz SUTTVBMZZMFODY-BFYDXBDKSA-N 2 2 374.489 0.566 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938956 1268317453 /nfs/dbraw/zinc/31/74/53/1268317453.db2.gz KWINLPDGSCTNOQ-RRFJBIMHSA-N 2 2 360.462 0.396 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938956 1268317463 /nfs/dbraw/zinc/31/74/63/1268317463.db2.gz KWINLPDGSCTNOQ-RRFJBIMHSA-N 2 2 360.462 0.396 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001552013052 1268352875 /nfs/dbraw/zinc/35/28/75/1268352875.db2.gz XXBTZAPMFNEPOP-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC001552078026 1268361432 /nfs/dbraw/zinc/36/14/32/1268361432.db2.gz IQANZJBBMWGAPQ-RDBSUJKOSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1C[NH2+]CCO1 ZINC001552078026 1268361445 /nfs/dbraw/zinc/36/14/45/1268361445.db2.gz IQANZJBBMWGAPQ-RDBSUJKOSA-N 2 2 356.467 0.948 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC001552154856 1268394967 /nfs/dbraw/zinc/39/49/67/1268394967.db2.gz URKRLEBMAWGTRW-KURKYZTESA-N 2 2 350.507 0.097 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580499690 1278408234 /nfs/dbraw/zinc/40/82/34/1278408234.db2.gz PNMLDCMCXDYSNY-NSHDSACASA-N 2 2 354.418 0.735 20 0 FCADLP CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001552335914 1268443714 /nfs/dbraw/zinc/44/37/14/1268443714.db2.gz AGYKIRXYZDMVID-IXDOHACOSA-N 2 2 354.495 0.635 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001552365877 1268449395 /nfs/dbraw/zinc/44/93/95/1268449395.db2.gz FXNKESJCABUCQY-WBMJQRKESA-N 2 2 374.449 0.320 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@H]1n1ccnn1 ZINC001552607808 1268490337 /nfs/dbraw/zinc/49/03/37/1268490337.db2.gz CLIOEOHAIOWFHK-HUUCEWRRSA-N 2 2 358.450 0.508 20 0 FCADLP C[C@H]([C@H](C)NC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC001552693896 1268521711 /nfs/dbraw/zinc/52/17/11/1268521711.db2.gz XOCYCUHVYWDZNB-DSJMHWKBSA-N 2 2 350.467 0.560 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CCO1 ZINC001552693107 1268522140 /nfs/dbraw/zinc/52/21/40/1268522140.db2.gz NIRKGHNUWURTKV-UKRRQHHQSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CCO1 ZINC001552693107 1268522144 /nfs/dbraw/zinc/52/21/44/1268522144.db2.gz NIRKGHNUWURTKV-UKRRQHHQSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552693171 1268522524 /nfs/dbraw/zinc/52/25/24/1268522524.db2.gz QKAXJUUBDPLOBJ-ZFWWWQNUSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552693171 1268522534 /nfs/dbraw/zinc/52/25/34/1268522534.db2.gz QKAXJUUBDPLOBJ-ZFWWWQNUSA-N 2 2 350.467 0.561 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001552799827 1268549526 /nfs/dbraw/zinc/54/95/26/1268549526.db2.gz KAGBATLZOOKRJD-QBPKDAKJSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001552799827 1268549531 /nfs/dbraw/zinc/54/95/31/1268549531.db2.gz KAGBATLZOOKRJD-QBPKDAKJSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC001552799827 1268549536 /nfs/dbraw/zinc/54/95/36/1268549536.db2.gz KAGBATLZOOKRJD-QBPKDAKJSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001552799827 1268549538 /nfs/dbraw/zinc/54/95/38/1268549538.db2.gz KAGBATLZOOKRJD-QBPKDAKJSA-N 2 2 354.495 0.600 20 0 FCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC001552801197 1268549588 /nfs/dbraw/zinc/54/95/88/1268549588.db2.gz CMOBRSCQQXOHJH-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CC[N@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC001552801197 1268549596 /nfs/dbraw/zinc/54/95/96/1268549596.db2.gz CMOBRSCQQXOHJH-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[NH+](C)C1CC(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC001552811815 1268553131 /nfs/dbraw/zinc/55/31/31/1268553131.db2.gz WDSIODFYLQQVFV-JMLCCBQJSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+](C)C1CC(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC001552811815 1268553135 /nfs/dbraw/zinc/55/31/35/1268553135.db2.gz WDSIODFYLQQVFV-JMLCCBQJSA-N 2 2 354.495 0.242 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@H]1CCn3cc[nH+]c3C1)[C@@H](O)C2 ZINC001553001777 1268576774 /nfs/dbraw/zinc/57/67/74/1268576774.db2.gz HRXWFUIQVYJRLI-BSZJXLGXSA-N 2 2 361.490 0.977 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)N[C@H]1CCn3cc[nH+]c3C1)[C@@H](O)C2 ZINC001553001777 1268576780 /nfs/dbraw/zinc/57/67/80/1268576780.db2.gz HRXWFUIQVYJRLI-BSZJXLGXSA-N 2 2 361.490 0.977 20 0 FCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553076958 1268588128 /nfs/dbraw/zinc/58/81/28/1268588128.db2.gz ZYSIVQUIRQOSRF-ROUUACIJSA-N 2 2 351.491 0.857 20 0 FCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553103699 1268590364 /nfs/dbraw/zinc/59/03/64/1268590364.db2.gz TUEIBKWNFQOHPZ-ZJPYXAASSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553103699 1268590366 /nfs/dbraw/zinc/59/03/66/1268590366.db2.gz TUEIBKWNFQOHPZ-ZJPYXAASSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450239 1268652646 /nfs/dbraw/zinc/65/26/46/1268652646.db2.gz ITFIGLJHLBAEOG-NVXWUHKLSA-N 3 2 365.522 0.223 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450239 1268652654 /nfs/dbraw/zinc/65/26/54/1268652654.db2.gz ITFIGLJHLBAEOG-NVXWUHKLSA-N 3 2 365.522 0.223 20 0 FCADLP CCOC1CC(CNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)([NH+]2CCOCC2)C1 ZINC001553475726 1268657198 /nfs/dbraw/zinc/65/71/98/1268657198.db2.gz FAFPXVULIHMODV-JVDULTGUSA-N 2 2 366.506 0.698 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)([NH+]2CCOCC2)C1 ZINC001553482520 1268658060 /nfs/dbraw/zinc/65/80/60/1268658060.db2.gz XWYYSUCLRGSEGG-KOHRHEQBSA-N 2 2 366.506 0.779 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C[C@@H]1F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553546152 1268667048 /nfs/dbraw/zinc/66/70/48/1268667048.db2.gz GEIREFBMOIPTML-HOTGVXAUSA-N 2 2 350.442 0.436 20 0 FCADLP CC[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001340922523 1268710356 /nfs/dbraw/zinc/71/03/56/1268710356.db2.gz MIGUTUJVHUIADQ-GVDBMIGSSA-N 2 2 368.522 0.722 20 0 FCADLP CC[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001340922523 1268710362 /nfs/dbraw/zinc/71/03/62/1268710362.db2.gz MIGUTUJVHUIADQ-GVDBMIGSSA-N 2 2 368.522 0.722 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@@H]1n1ccnn1 ZINC001553860310 1268729212 /nfs/dbraw/zinc/72/92/12/1268729212.db2.gz SVZZBFXDVBAKPP-HOTGVXAUSA-N 2 2 367.413 0.797 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001341151028 1268811235 /nfs/dbraw/zinc/81/12/35/1268811235.db2.gz IIEJWHWQYFHJQP-BVIKNXMNSA-N 2 2 373.501 0.925 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001341192082 1268848339 /nfs/dbraw/zinc/84/83/39/1268848339.db2.gz KCXZBTMDIWJVFN-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP C[C@@H]1Cn2nc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cc2C[NH2+]1 ZINC001341551765 1269074709 /nfs/dbraw/zinc/07/47/09/1269074709.db2.gz KCUNONOGBIOPEC-OAHLLOKOSA-N 2 2 374.489 0.145 20 0 FCADLP C[C@@H]1Cn2nc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cc2C[NH2+]1 ZINC001341551765 1269074720 /nfs/dbraw/zinc/07/47/20/1269074720.db2.gz KCUNONOGBIOPEC-OAHLLOKOSA-N 2 2 374.489 0.145 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC001342133932 1269363817 /nfs/dbraw/zinc/36/38/17/1269363817.db2.gz CFKRPPXXZOACIL-HNNXBMFYSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC001342133932 1269363829 /nfs/dbraw/zinc/36/38/29/1269363829.db2.gz CFKRPPXXZOACIL-HNNXBMFYSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCNC3=O)CC2)CC1 ZINC001563842724 1269399569 /nfs/dbraw/zinc/39/95/69/1269399569.db2.gz JADNAMOLVJTHPN-AWEZNQCLSA-N 2 2 351.495 0.370 20 0 FCADLP CN(C)C(=O)[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076865 1269407550 /nfs/dbraw/zinc/40/75/50/1269407550.db2.gz IGMBGRYIYYJAJD-GJZGRUSLSA-N 2 2 351.495 0.275 20 0 FCADLP CN(C)C(=O)[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076865 1269407557 /nfs/dbraw/zinc/40/75/57/1269407557.db2.gz IGMBGRYIYYJAJD-GJZGRUSLSA-N 2 2 351.495 0.275 20 0 FCADLP CNC(=O)[C@H](CCSC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001342288351 1269419608 /nfs/dbraw/zinc/41/96/08/1269419608.db2.gz GOWSTLPSJZBONB-INIZCTEOSA-N 2 2 358.552 0.240 20 0 FCADLP Cc1c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC001342303328 1269425536 /nfs/dbraw/zinc/42/55/36/1269425536.db2.gz MLYPQFJUZUDBAE-ZDUSSCGKSA-N 2 2 350.467 0.304 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001342939553 1269691239 /nfs/dbraw/zinc/69/12/39/1269691239.db2.gz KKRPPDBQUJQODP-HUUCEWRRSA-N 2 2 363.462 0.169 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001342939553 1269691245 /nfs/dbraw/zinc/69/12/45/1269691245.db2.gz KKRPPDBQUJQODP-HUUCEWRRSA-N 2 2 363.462 0.169 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001342997174 1269720425 /nfs/dbraw/zinc/72/04/25/1269720425.db2.gz BZZDEQWVVRXZOZ-HZPDHXFCSA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001342997174 1269720432 /nfs/dbraw/zinc/72/04/32/1269720432.db2.gz BZZDEQWVVRXZOZ-HZPDHXFCSA-N 2 2 363.462 0.100 20 0 FCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001343453559 1269914215 /nfs/dbraw/zinc/91/42/15/1269914215.db2.gz PREUXDIWBMFVQS-LJQANCHMSA-N 2 2 353.470 0.890 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001343903792 1270046332 /nfs/dbraw/zinc/04/63/32/1270046332.db2.gz JKFYVBUKIMCJCF-IAGOWNOFSA-N 2 2 370.457 0.928 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001343944100 1270058493 /nfs/dbraw/zinc/05/84/93/1270058493.db2.gz DYRZLCUVBOOLNF-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001343944100 1270058501 /nfs/dbraw/zinc/05/85/01/1270058501.db2.gz DYRZLCUVBOOLNF-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001344741472 1270230422 /nfs/dbraw/zinc/23/04/22/1270230422.db2.gz GCCHIBIPRNWJRI-SJORKVTESA-N 2 2 373.501 0.898 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC001580611112 1278568761 /nfs/dbraw/zinc/56/87/61/1278568761.db2.gz FRTMIMLJRYBBQU-GOSISDBHSA-N 2 2 357.454 0.885 20 0 FCADLP CC(C)[C@@H](C(=O)NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[NH+](C)C ZINC001573977842 1270972137 /nfs/dbraw/zinc/97/21/37/1270972137.db2.gz QSMPBLZZPGVCHG-INIZCTEOSA-N 2 2 357.462 0.753 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574031946 1271013660 /nfs/dbraw/zinc/01/36/60/1271013660.db2.gz ADINYIJJNNYJSY-OAHLLOKOSA-N 2 2 369.433 0.523 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574251703 1271119918 /nfs/dbraw/zinc/11/99/18/1271119918.db2.gz IRCGXNBLVFMVPB-UHFFFAOYSA-N 2 2 360.466 0.887 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574251703 1271119922 /nfs/dbraw/zinc/11/99/22/1271119922.db2.gz IRCGXNBLVFMVPB-UHFFFAOYSA-N 2 2 360.466 0.887 20 0 FCADLP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574541996 1271321023 /nfs/dbraw/zinc/32/10/23/1271321023.db2.gz CYOGDXKFRHBBKE-CHWSQXEVSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574890613 1271651659 /nfs/dbraw/zinc/65/16/59/1271651659.db2.gz QMTVMGUVSPSDPO-NEPJUHHUSA-N 2 2 355.406 0.448 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)C1 ZINC001575187081 1271774601 /nfs/dbraw/zinc/77/46/01/1271774601.db2.gz OPFWEXIGCQVGED-MSOLQXFVSA-N 2 2 355.479 0.813 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)C1 ZINC001575187081 1271774606 /nfs/dbraw/zinc/77/46/06/1271774606.db2.gz OPFWEXIGCQVGED-MSOLQXFVSA-N 2 2 355.479 0.813 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575377929 1272022694 /nfs/dbraw/zinc/02/26/94/1272022694.db2.gz FCGGYSUNEJIAML-WDEREUQCSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001575387628 1272034840 /nfs/dbraw/zinc/03/48/40/1272034840.db2.gz VEKFAHXARTUDBZ-OLZOCXBDSA-N 2 2 354.418 0.746 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001575388796 1272036098 /nfs/dbraw/zinc/03/60/98/1272036098.db2.gz RADDIMIZOCYILB-MNOVXSKESA-N 2 2 360.447 0.808 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001575390393 1272037403 /nfs/dbraw/zinc/03/74/03/1272037403.db2.gz ZOOJZNXIAJFNAO-MNOVXSKESA-N 2 2 374.474 0.887 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575390394 1272037478 /nfs/dbraw/zinc/03/74/78/1272037478.db2.gz ZOOJZNXIAJFNAO-QWRGUYRKSA-N 2 2 374.474 0.887 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020669 1272722105 /nfs/dbraw/zinc/72/21/05/1272722105.db2.gz GKDMYMYVDONTPA-HIFRSBDPSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021002 1272723463 /nfs/dbraw/zinc/72/34/63/1272723463.db2.gz HVYVBHQWCJFMLZ-BLLLJJGKSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2cnn[nH]2)CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576024216 1272726938 /nfs/dbraw/zinc/72/69/38/1272726938.db2.gz FEPGIWGDHMUYQA-IUODEOHRSA-N 2 2 359.434 0.781 20 0 FCADLP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001576052788 1272784042 /nfs/dbraw/zinc/78/40/42/1272784042.db2.gz NEYANARYNWYJED-OLZOCXBDSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063263 1272813675 /nfs/dbraw/zinc/81/36/75/1272813675.db2.gz CZQODKNJXLWSIK-ZNMIVQPWSA-N 2 2 350.467 0.040 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576255370 1273040256 /nfs/dbraw/zinc/04/02/56/1273040256.db2.gz JOPVBDPDTSZWCT-WFASDCNBSA-N 2 2 356.434 0.038 20 0 FCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257024 1273041763 /nfs/dbraw/zinc/04/17/63/1273041763.db2.gz VMCOKZWTEMVIBE-SWLSCSKDSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576259380 1273047244 /nfs/dbraw/zinc/04/72/44/1273047244.db2.gz FZQZJHUFINSREP-MLGOLLRUSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576270011 1273065092 /nfs/dbraw/zinc/06/50/92/1273065092.db2.gz BTSCLOPEXLTRAL-OLZOCXBDSA-N 2 2 367.417 0.087 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576270203 1273069159 /nfs/dbraw/zinc/06/91/59/1273069159.db2.gz FLARLHBEPXEGMO-WFASDCNBSA-N 2 2 366.429 0.769 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576491495 1273347554 /nfs/dbraw/zinc/34/75/54/1273347554.db2.gz BNTMPWHGYWSSEZ-MRXNPFEDSA-N 2 2 357.462 0.851 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C)[NH+](C)C ZINC001576500530 1273363536 /nfs/dbraw/zinc/36/35/36/1273363536.db2.gz YERFTVHZZGXGAE-DZGCQCFKSA-N 2 2 372.477 0.933 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C)[NH+](C)C ZINC001576500531 1273365052 /nfs/dbraw/zinc/36/50/52/1273365052.db2.gz YERFTVHZZGXGAE-HIFRSBDPSA-N 2 2 372.477 0.933 20 0 FCADLP CC[C@@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576500606 1273365684 /nfs/dbraw/zinc/36/56/84/1273365684.db2.gz ZAECODKKMQEYAH-AWEZNQCLSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501094 1273366157 /nfs/dbraw/zinc/36/61/57/1273366157.db2.gz UUMPWHFCHMQNEF-DZGCQCFKSA-N 2 2 372.477 0.935 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576557591 1273437160 /nfs/dbraw/zinc/43/71/60/1273437160.db2.gz RTRPNDZZEVDKHV-HNNXBMFYSA-N 2 2 350.467 0.386 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(CC)([NH2+]Cc3cnn[nH]3)CC2)C1 ZINC001576557591 1273437161 /nfs/dbraw/zinc/43/71/61/1273437161.db2.gz RTRPNDZZEVDKHV-HNNXBMFYSA-N 2 2 350.467 0.386 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC001576720527 1273590084 /nfs/dbraw/zinc/59/00/84/1273590084.db2.gz MNNCBWZHVFXHKE-QGZVFWFLSA-N 2 2 364.494 0.382 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001576720527 1273590088 /nfs/dbraw/zinc/59/00/88/1273590088.db2.gz MNNCBWZHVFXHKE-QGZVFWFLSA-N 2 2 364.494 0.382 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC001576720527 1273590096 /nfs/dbraw/zinc/59/00/96/1273590096.db2.gz MNNCBWZHVFXHKE-QGZVFWFLSA-N 2 2 364.494 0.382 20 0 FCADLP CN(C(=O)CCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001576720527 1273590103 /nfs/dbraw/zinc/59/01/03/1273590103.db2.gz MNNCBWZHVFXHKE-QGZVFWFLSA-N 2 2 364.494 0.382 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCOCC2)C1 ZINC001576748218 1273619709 /nfs/dbraw/zinc/61/97/09/1273619709.db2.gz VGTYTVFBTKKFPU-HOCLYGCPSA-N 2 2 364.494 0.680 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCOCC2)C1 ZINC001576748218 1273619718 /nfs/dbraw/zinc/61/97/18/1273619718.db2.gz VGTYTVFBTKKFPU-HOCLYGCPSA-N 2 2 364.494 0.680 20 0 FCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC001576760285 1273634192 /nfs/dbraw/zinc/63/41/92/1273634192.db2.gz NIRCHTWUEXPDAZ-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC001576760285 1273634199 /nfs/dbraw/zinc/63/41/99/1273634199.db2.gz NIRCHTWUEXPDAZ-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC2(CC[NH2+]CC2)O1 ZINC001576781866 1273669835 /nfs/dbraw/zinc/66/98/35/1273669835.db2.gz AWASSCDGMRETAK-ZACQAIPSSA-N 2 2 367.490 0.236 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576835424 1273763298 /nfs/dbraw/zinc/76/32/98/1273763298.db2.gz ARKATLQOFALBAM-HNNXBMFYSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576861272 1273823951 /nfs/dbraw/zinc/82/39/51/1273823951.db2.gz POSYRVHTUQVCCD-OWCLPIDISA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576861272 1273823954 /nfs/dbraw/zinc/82/39/54/1273823954.db2.gz POSYRVHTUQVCCD-OWCLPIDISA-N 2 2 364.494 0.430 20 0 FCADLP CC[C@H](Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)CC[NH+]1CCOCC1)OC ZINC001577103799 1274161614 /nfs/dbraw/zinc/16/16/14/1274161614.db2.gz ABJKMAJVSDFFNH-OWCLPIDISA-N 2 2 366.510 0.676 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563158 1274515176 /nfs/dbraw/zinc/51/51/76/1274515176.db2.gz MGRLVOWNZSABDI-CQSZACIVSA-N 2 2 372.477 0.936 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577563158 1274515178 /nfs/dbraw/zinc/51/51/78/1274515178.db2.gz MGRLVOWNZSABDI-CQSZACIVSA-N 2 2 372.477 0.936 20 0 FCADLP CCCN(CCNC(=O)CCn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577606626 1274578264 /nfs/dbraw/zinc/57/82/64/1274578264.db2.gz KDFXLPXAUHMORG-UHFFFAOYSA-N 2 2 369.433 0.881 20 0 FCADLP CCN(CCNC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001577722735 1274789852 /nfs/dbraw/zinc/78/98/52/1274789852.db2.gz HUWODWFPGRONHT-UHFFFAOYSA-N 2 2 357.499 0.966 20 0 FCADLP CC[NH+](CC)CC(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895176 1275105758 /nfs/dbraw/zinc/10/57/58/1275105758.db2.gz DKXFXBKGVSGMNA-AWEZNQCLSA-N 2 2 372.477 0.936 20 0 FCADLP CC[NH+](CC)CC(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895177 1275106023 /nfs/dbraw/zinc/10/60/23/1275106023.db2.gz DKXFXBKGVSGMNA-CQSZACIVSA-N 2 2 372.477 0.936 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577963561 1275187411 /nfs/dbraw/zinc/18/74/11/1275187411.db2.gz NTFJBCNMLHZVLP-GJZGRUSLSA-N 2 2 371.489 0.997 20 0 FCADLP CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578004499 1275265486 /nfs/dbraw/zinc/26/54/86/1275265486.db2.gz IJUIQZNRYMZLSC-CYBMUJFWSA-N 2 2 358.450 0.546 20 0 FCADLP CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578004499 1275265493 /nfs/dbraw/zinc/26/54/93/1275265493.db2.gz IJUIQZNRYMZLSC-CYBMUJFWSA-N 2 2 358.450 0.546 20 0 FCADLP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001578134945 1275433786 /nfs/dbraw/zinc/43/37/86/1275433786.db2.gz HJWLOZWAWCJTFO-HNNXBMFYSA-N 2 2 365.526 0.378 20 0 FCADLP CCOCc1nnc(N2CC[C@H]([NH3+])C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001578134945 1275433795 /nfs/dbraw/zinc/43/37/95/1275433795.db2.gz HJWLOZWAWCJTFO-HNNXBMFYSA-N 2 2 365.526 0.378 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578219474 1275513969 /nfs/dbraw/zinc/51/39/69/1275513969.db2.gz LJMFEHQYYDJMMC-INIZCTEOSA-N 2 2 370.461 0.785 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001578219474 1275513974 /nfs/dbraw/zinc/51/39/74/1275513974.db2.gz LJMFEHQYYDJMMC-INIZCTEOSA-N 2 2 370.461 0.785 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219670 1275517401 /nfs/dbraw/zinc/51/74/01/1275517401.db2.gz OTAXYWVIZLHYIJ-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219670 1275517409 /nfs/dbraw/zinc/51/74/09/1275517409.db2.gz OTAXYWVIZLHYIJ-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220968 1275518473 /nfs/dbraw/zinc/51/84/73/1275518473.db2.gz FVQBWPJUDFZTFV-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220968 1275518474 /nfs/dbraw/zinc/51/84/74/1275518474.db2.gz FVQBWPJUDFZTFV-CJNGLKHVSA-N 2 2 370.461 0.831 20 0 FCADLP CCc1[nH+]ccn1CCNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578297634 1275625533 /nfs/dbraw/zinc/62/55/33/1275625533.db2.gz FSFNQLCBKNDUGX-QGZVFWFLSA-N 2 2 352.435 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001578446640 1275832782 /nfs/dbraw/zinc/83/27/82/1275832782.db2.gz DLIPTCSLGUFLDH-DLBZAZTESA-N 2 2 369.473 0.897 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001578446640 1275832787 /nfs/dbraw/zinc/83/27/87/1275832787.db2.gz DLIPTCSLGUFLDH-DLBZAZTESA-N 2 2 369.473 0.897 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578525016 1275958239 /nfs/dbraw/zinc/95/82/39/1275958239.db2.gz MJXOMTIEPDDZJG-DLBZAZTESA-N 3 2 352.523 0.900 20 0 FCADLP CN(C(=O)CC1([NH3+])COC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578525016 1275958244 /nfs/dbraw/zinc/95/82/44/1275958244.db2.gz MJXOMTIEPDDZJG-DLBZAZTESA-N 3 2 352.523 0.900 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578524247 1275958438 /nfs/dbraw/zinc/95/84/38/1275958438.db2.gz CANAKPXTURPFKE-FGTMMUONSA-N 3 2 352.523 0.770 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578524247 1275958440 /nfs/dbraw/zinc/95/84/40/1275958440.db2.gz CANAKPXTURPFKE-FGTMMUONSA-N 3 2 352.523 0.770 20 0 FCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532554 1275963423 /nfs/dbraw/zinc/96/34/23/1275963423.db2.gz LLLRPRCQAJZMGI-ZIAGYGMSSA-N 2 2 356.467 0.032 20 0 FCADLP C[N@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532554 1275963430 /nfs/dbraw/zinc/96/34/30/1275963430.db2.gz LLLRPRCQAJZMGI-ZIAGYGMSSA-N 2 2 356.467 0.032 20 0 FCADLP C[NH2+]C[C@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578628865 1276075532 /nfs/dbraw/zinc/07/55/32/1276075532.db2.gz HXZXYOYHBJNPHN-INIZCTEOSA-N 2 2 373.505 0.964 20 0 FCADLP C[NH2+]CCCn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578696346 1276158219 /nfs/dbraw/zinc/15/82/19/1276158219.db2.gz CSCWQBJMZFDKDR-MRXNPFEDSA-N 2 2 366.510 0.898 20 0 FCADLP C[NH2+]CCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001578705565 1276171782 /nfs/dbraw/zinc/17/17/82/1276171782.db2.gz TXRKDYOQLQJYSF-CQSZACIVSA-N 2 2 355.483 0.542 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007724 1276580497 /nfs/dbraw/zinc/58/04/97/1276580497.db2.gz AROQHYJSVIPGPF-LBPRGKRZSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007724 1276580509 /nfs/dbraw/zinc/58/05/09/1276580509.db2.gz AROQHYJSVIPGPF-LBPRGKRZSA-N 2 2 356.434 0.441 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001579059252 1276665562 /nfs/dbraw/zinc/66/55/62/1276665562.db2.gz QJMUCGLSVFUWKC-LSDHHAIUSA-N 2 2 358.483 0.090 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CCC[NH+]2CCOCC2)CC1 ZINC001712475582 1287243854 /nfs/dbraw/zinc/24/38/54/1287243854.db2.gz AZKBFTHTHNPDTL-UHFFFAOYSA-N 2 2 352.483 0.077 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001712475733 1287244251 /nfs/dbraw/zinc/24/42/51/1287244251.db2.gz DVFYUZOEKMXZPX-HNNXBMFYSA-N 2 2 352.483 0.076 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001712475733 1287244257 /nfs/dbraw/zinc/24/42/57/1287244257.db2.gz DVFYUZOEKMXZPX-HNNXBMFYSA-N 2 2 352.483 0.076 20 0 FCADLP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001579180690 1276946612 /nfs/dbraw/zinc/94/66/12/1276946612.db2.gz XKGPXJSHOXBKSZ-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)C1CCC1 ZINC001579180690 1276946619 /nfs/dbraw/zinc/94/66/19/1276946619.db2.gz XKGPXJSHOXBKSZ-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579180690 1276946626 /nfs/dbraw/zinc/94/66/26/1276946626.db2.gz XKGPXJSHOXBKSZ-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579180690 1276946633 /nfs/dbraw/zinc/94/66/33/1276946633.db2.gz XKGPXJSHOXBKSZ-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579180741 1276947285 /nfs/dbraw/zinc/94/72/85/1276947285.db2.gz ZWNSNAYZQPEDQR-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579180741 1276947288 /nfs/dbraw/zinc/94/72/88/1276947288.db2.gz ZWNSNAYZQPEDQR-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579260465 1277054090 /nfs/dbraw/zinc/05/40/90/1277054090.db2.gz FIQBILYYRKTENO-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579260465 1277054093 /nfs/dbraw/zinc/05/40/93/1277054093.db2.gz FIQBILYYRKTENO-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP CC[C@H](C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)OC ZINC001713078558 1287265277 /nfs/dbraw/zinc/26/52/77/1287265277.db2.gz VSFNGMSDRTWIDX-BRWVUGGUSA-N 2 2 363.506 0.682 20 0 FCADLP COc1cc[nH+]cc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579319988 1277135350 /nfs/dbraw/zinc/13/53/50/1277135350.db2.gz ZXDNPNWBWZNIBI-CQSZACIVSA-N 2 2 371.445 0.503 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355060 1277217666 /nfs/dbraw/zinc/21/76/66/1277217666.db2.gz CNOUUIVKKGQANA-MAUKXSAKSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355060 1277217671 /nfs/dbraw/zinc/21/76/71/1277217671.db2.gz CNOUUIVKKGQANA-MAUKXSAKSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355546 1277219670 /nfs/dbraw/zinc/21/96/70/1277219670.db2.gz DWHQMHUSINDXAS-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355546 1277219673 /nfs/dbraw/zinc/21/96/73/1277219673.db2.gz DWHQMHUSINDXAS-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355546 1277219679 /nfs/dbraw/zinc/21/96/79/1277219679.db2.gz DWHQMHUSINDXAS-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355546 1277219683 /nfs/dbraw/zinc/21/96/83/1277219683.db2.gz DWHQMHUSINDXAS-HOTGVXAUSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359496 1277233117 /nfs/dbraw/zinc/23/31/17/1277233117.db2.gz WGCJETTYNAJJAX-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359496 1277233120 /nfs/dbraw/zinc/23/31/20/1277233120.db2.gz WGCJETTYNAJJAX-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359496 1277233121 /nfs/dbraw/zinc/23/31/21/1277233121.db2.gz WGCJETTYNAJJAX-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359496 1277233122 /nfs/dbraw/zinc/23/31/22/1277233122.db2.gz WGCJETTYNAJJAX-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359956 1277233233 /nfs/dbraw/zinc/23/32/33/1277233233.db2.gz GCBCNQDRNDYRIG-LALPHHSUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359956 1277233235 /nfs/dbraw/zinc/23/32/35/1277233235.db2.gz GCBCNQDRNDYRIG-LALPHHSUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579366245 1277244884 /nfs/dbraw/zinc/24/48/84/1277244884.db2.gz QGNSNXJTXFMVKO-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579366245 1277244886 /nfs/dbraw/zinc/24/48/86/1277244886.db2.gz QGNSNXJTXFMVKO-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)Cc1cc(=O)n2nccc2[nH]1 ZINC001713467347 1287280988 /nfs/dbraw/zinc/28/09/88/1287280988.db2.gz JIBRWDMZFJIBCP-ZIAGYGMSSA-N 2 2 369.429 0.108 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)Cc1cc(=O)n2nccc2[nH]1 ZINC001713467347 1287280990 /nfs/dbraw/zinc/28/09/90/1287280990.db2.gz JIBRWDMZFJIBCP-ZIAGYGMSSA-N 2 2 369.429 0.108 20 0 FCADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001713918087 1287307862 /nfs/dbraw/zinc/30/78/62/1287307862.db2.gz WDFIXMWMZUENHT-MSOLQXFVSA-N 2 2 358.486 0.516 20 0 FCADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001713918087 1287307873 /nfs/dbraw/zinc/30/78/73/1287307873.db2.gz WDFIXMWMZUENHT-MSOLQXFVSA-N 2 2 358.486 0.516 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001713927413 1287308101 /nfs/dbraw/zinc/30/81/01/1287308101.db2.gz OZIYNLXCTXGBNY-DHAMSGSMSA-N 2 2 357.882 0.809 20 0 FCADLP Cc1noc(C[C@H]2CCCN(C(=O)NCC[NH+]3CCC([NH3+])CC3)C2)n1 ZINC001579920587 1277961576 /nfs/dbraw/zinc/96/15/76/1277961576.db2.gz BSYRBRWJJMIPLK-CQSZACIVSA-N 2 2 350.467 0.765 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001579948911 1277976455 /nfs/dbraw/zinc/97/64/55/1277976455.db2.gz LJEFMXMAQNQIAS-OAHLLOKOSA-N 2 2 373.461 0.518 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001579948911 1277976460 /nfs/dbraw/zinc/97/64/60/1277976460.db2.gz LJEFMXMAQNQIAS-OAHLLOKOSA-N 2 2 373.461 0.518 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001580272849 1278068311 /nfs/dbraw/zinc/06/83/11/1278068311.db2.gz QHXOLYNRPNEGQO-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580949182 1279155305 /nfs/dbraw/zinc/15/53/05/1279155305.db2.gz RVPTVZXCHGLTFE-UHFFFAOYSA-N 2 2 355.406 0.328 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580990435 1279191576 /nfs/dbraw/zinc/19/15/76/1279191576.db2.gz QOZDGSXMPUYVLO-WDEREUQCSA-N 2 2 369.433 0.571 20 0 FCADLP Cc1cc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580999772 1279215873 /nfs/dbraw/zinc/21/58/73/1279215873.db2.gz RDPMYURKKZBWJF-UHFFFAOYSA-N 2 2 353.390 0.019 20 0 FCADLP Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002369 1279217833 /nfs/dbraw/zinc/21/78/33/1279217833.db2.gz PNDFZLFINONTDG-OLZOCXBDSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006349 1279224078 /nfs/dbraw/zinc/22/40/78/1279224078.db2.gz PJUWGXVRGRGAOP-TZMCWYRMSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007919 1279229464 /nfs/dbraw/zinc/22/94/64/1279229464.db2.gz DEAAYCPZMZNZFS-YGRLFVJLSA-N 2 2 367.417 0.217 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581011325 1279237421 /nfs/dbraw/zinc/23/74/21/1279237421.db2.gz IMMFESXONSICDT-GFCCVEGCSA-N 2 2 369.433 0.456 20 0 FCADLP Cc1cc(NC[C@@H](C)N(C)C(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012206 1279239125 /nfs/dbraw/zinc/23/91/25/1279239125.db2.gz UFKMORLOTJSEOM-GFCCVEGCSA-N 2 2 369.433 0.227 20 0 FCADLP Cc1cc(NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023775 1279254675 /nfs/dbraw/zinc/25/46/75/1279254675.db2.gz TYEFZAORPKFBRD-GFCCVEGCSA-N 2 2 367.417 0.218 20 0 FCADLP Cc1cc(NCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027301 1279260897 /nfs/dbraw/zinc/26/08/97/1279260897.db2.gz PBKQGPPFAXUUEN-CYBMUJFWSA-N 2 2 369.433 0.710 20 0 FCADLP Cc1cc(N[C@H]2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581037601 1279273480 /nfs/dbraw/zinc/27/34/80/1279273480.db2.gz JCAWJALGCWLADQ-TXEJJXNPSA-N 2 2 367.417 0.265 20 0 FCADLP Cc1cc(N[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039190 1279276236 /nfs/dbraw/zinc/27/62/36/1279276236.db2.gz NKNYUGBONJQXRG-HAQNSBGRSA-N 2 2 367.417 0.027 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001715254811 1287347751 /nfs/dbraw/zinc/34/77/51/1287347751.db2.gz OBTSPJDZKSPXOX-BPLDGKMQSA-N 2 2 358.446 0.864 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001581337962 1279714958 /nfs/dbraw/zinc/71/49/58/1279714958.db2.gz PJSSMIAMZFYIIC-NHYWBVRUSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581338948 1279719416 /nfs/dbraw/zinc/71/94/16/1279719416.db2.gz WTBOBLKBDPZPBX-UHFFFAOYSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001581565254 1280144657 /nfs/dbraw/zinc/14/46/57/1280144657.db2.gz GEAXVONVFZFHBQ-VIKVFOODSA-N 2 2 365.401 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581565579 1280147086 /nfs/dbraw/zinc/14/70/86/1280147086.db2.gz ZKVRBOKAVHXJCP-LBPRGKRZSA-N 2 2 353.390 0.162 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582051342 1280975158 /nfs/dbraw/zinc/97/51/58/1280975158.db2.gz WZLNXXKOCIMBNL-UHFFFAOYSA-N 2 2 354.418 0.749 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582089150 1281043012 /nfs/dbraw/zinc/04/30/12/1281043012.db2.gz WEJMHFTYRMTUDZ-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582089249 1281044728 /nfs/dbraw/zinc/04/47/28/1281044728.db2.gz ZSQDNCZRXIIAND-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582089989 1281046679 /nfs/dbraw/zinc/04/66/79/1281046679.db2.gz JHBIAHUQGAFLEC-UHFFFAOYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582090410 1281047667 /nfs/dbraw/zinc/04/76/67/1281047667.db2.gz RUYKXMGVWKHCOI-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582090410 1281047672 /nfs/dbraw/zinc/04/76/72/1281047672.db2.gz RUYKXMGVWKHCOI-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582098046 1281053867 /nfs/dbraw/zinc/05/38/67/1281053867.db2.gz ZWGOLMCTKJHIDW-CQSZACIVSA-N 2 2 370.461 0.572 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582101028 1281057799 /nfs/dbraw/zinc/05/77/99/1281057799.db2.gz ZYTDSLQCFVEPRS-BETUJISGSA-N 2 2 356.434 0.086 20 0 FCADLP O=C(C[NH+]1CCCC1)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582100829 1281058383 /nfs/dbraw/zinc/05/83/83/1281058383.db2.gz QNTYEWQAYZZUHA-UHFFFAOYSA-N 2 2 356.434 0.443 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582169070 1281134539 /nfs/dbraw/zinc/13/45/39/1281134539.db2.gz CALZOGQMXNYZTA-CYBMUJFWSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582169393 1281135133 /nfs/dbraw/zinc/13/51/33/1281135133.db2.gz PQWCBUUYDAORQW-MRXNPFEDSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582169451 1281135898 /nfs/dbraw/zinc/13/58/98/1281135898.db2.gz STOZEBBMJSBVCJ-GFCCVEGCSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582169731 1281136916 /nfs/dbraw/zinc/13/69/16/1281136916.db2.gz CYBOJWSSCFZOHG-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582169507 1281136983 /nfs/dbraw/zinc/13/69/83/1281136983.db2.gz VSGRIHGHWCIGPC-HNNXBMFYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582169588 1281137446 /nfs/dbraw/zinc/13/74/46/1281137446.db2.gz ZSZPMJUCGTZDCD-LBPRGKRZSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183848 1281164112 /nfs/dbraw/zinc/16/41/12/1281164112.db2.gz LGKFUKLFVLGYOO-JOCQHMNTSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582198215 1281184005 /nfs/dbraw/zinc/18/40/05/1281184005.db2.gz QKVLZXSRQATCDJ-HDJSIYSDSA-N 2 2 352.402 0.500 20 0 FCADLP CC(C)(O)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001589333357 1282840249 /nfs/dbraw/zinc/84/02/49/1282840249.db2.gz UUTIZYQDBVFLHT-QGZVFWFLSA-N 2 2 374.489 0.943 20 0 FCADLP CC(C)=CC(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589370099 1282850966 /nfs/dbraw/zinc/85/09/66/1282850966.db2.gz NIAQCSLXQYKIGX-UHFFFAOYSA-N 2 2 370.461 0.642 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001589828143 1283065794 /nfs/dbraw/zinc/06/57/94/1283065794.db2.gz ALHSIQMPDXEKRR-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001589828634 1283068744 /nfs/dbraw/zinc/06/87/44/1283068744.db2.gz FRJYEOMGRLQNKG-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589954729 1283147143 /nfs/dbraw/zinc/14/71/43/1283147143.db2.gz ICHQBXNPLOPLMR-GDBMZVCRSA-N 2 2 372.477 0.319 20 0 FCADLP C[C@@H](O)[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC001589994605 1283161235 /nfs/dbraw/zinc/16/12/35/1283161235.db2.gz GVNXIMVPFHEJRB-MLGOLLRUSA-N 2 2 369.429 0.279 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307478 1283450772 /nfs/dbraw/zinc/45/07/72/1283450772.db2.gz NDLPCCRLNGEMCI-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307478 1283450780 /nfs/dbraw/zinc/45/07/80/1283450780.db2.gz NDLPCCRLNGEMCI-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP CCc1nc(-c2nn[nH]n2)cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001604543438 1287653870 /nfs/dbraw/zinc/65/38/70/1287653870.db2.gz ULLFRITUZOIXHZ-CQSZACIVSA-N 2 2 371.493 0.824 20 0 FCADLP CCc1nc(-c2nn[nH]n2)cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001604543438 1287653879 /nfs/dbraw/zinc/65/38/79/1287653879.db2.gz ULLFRITUZOIXHZ-CQSZACIVSA-N 2 2 371.493 0.824 20 0 FCADLP CCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001590710667 1283747335 /nfs/dbraw/zinc/74/73/35/1283747335.db2.gz BNQUBDVYOIONJZ-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CN(CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591071297 1284132703 /nfs/dbraw/zinc/13/27/03/1284132703.db2.gz UWKMYTPEEIBTNX-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP CN(CCCNC(=O)[C@@H]1CCCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591071297 1284132704 /nfs/dbraw/zinc/13/27/04/1284132704.db2.gz UWKMYTPEEIBTNX-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001591090755 1284163684 /nfs/dbraw/zinc/16/36/84/1284163684.db2.gz SOMYQIGKQHVPAR-CQSZACIVSA-N 2 2 357.418 0.825 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001591090755 1284163688 /nfs/dbraw/zinc/16/36/88/1284163688.db2.gz SOMYQIGKQHVPAR-CQSZACIVSA-N 2 2 357.418 0.825 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591189713 1284306037 /nfs/dbraw/zinc/30/60/37/1284306037.db2.gz MTNMGECZHRRLGL-KRWDZBQOSA-N 2 2 369.473 0.998 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1-c1nn[nH]n1 ZINC001591217761 1284355232 /nfs/dbraw/zinc/35/52/32/1284355232.db2.gz TWEAZPLYCQBIOW-SNVBAGLBSA-N 2 2 370.421 0.139 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001604687042 1287733281 /nfs/dbraw/zinc/73/32/81/1287733281.db2.gz WWYMYJMRNCEDON-KTKRTIGZSA-N 2 2 357.462 0.880 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001604687042 1287733289 /nfs/dbraw/zinc/73/32/89/1287733289.db2.gz WWYMYJMRNCEDON-KTKRTIGZSA-N 2 2 357.462 0.880 20 0 FCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1csc(-c2nn[nH]n2)c1 ZINC001591723103 1284854694 /nfs/dbraw/zinc/85/46/94/1284854694.db2.gz LSUPWVXSIXMTCN-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1csc(-c2nn[nH]n2)c1 ZINC001591723103 1284854698 /nfs/dbraw/zinc/85/46/98/1284854698.db2.gz LSUPWVXSIXMTCN-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591791900 1284903607 /nfs/dbraw/zinc/90/36/07/1284903607.db2.gz XYBHGMAFHSTRSG-IHWYPQMZSA-N 2 2 366.429 0.903 20 0 FCADLP Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007970 1285057372 /nfs/dbraw/zinc/05/73/72/1285057372.db2.gz XOADUUBDKRIUPG-GFCCVEGCSA-N 2 2 356.434 0.359 20 0 FCADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[N@H+](CC(N)=O)CC1 ZINC001592242114 1285197946 /nfs/dbraw/zinc/19/79/46/1285197946.db2.gz UUSGURCMPHCMMX-UHFFFAOYSA-N 2 2 366.429 0.721 20 0 FCADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC[N@@H+](CC(N)=O)CC1 ZINC001592242114 1285197951 /nfs/dbraw/zinc/19/79/51/1285197951.db2.gz UUSGURCMPHCMMX-UHFFFAOYSA-N 2 2 366.429 0.721 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001702660215 1285774612 /nfs/dbraw/zinc/77/46/12/1285774612.db2.gz LXPYNPGUBCOJCA-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001702660215 1285774617 /nfs/dbraw/zinc/77/46/17/1285774617.db2.gz LXPYNPGUBCOJCA-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592928714 1285819197 /nfs/dbraw/zinc/81/91/97/1285819197.db2.gz XRZHPNZVBNOTQR-ARJAWSKDSA-N 2 2 352.402 0.595 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504852 1286184865 /nfs/dbraw/zinc/18/48/65/1286184865.db2.gz NIKSJSPRBVJAHS-BMFZPTHFSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504852 1286184873 /nfs/dbraw/zinc/18/48/73/1286184873.db2.gz NIKSJSPRBVJAHS-BMFZPTHFSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593506885 1286186042 /nfs/dbraw/zinc/18/60/42/1286186042.db2.gz YIKPTNFPYVVWBY-CHWSQXEVSA-N 2 2 355.402 0.408 20 0 FCADLP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704781280 1286297431 /nfs/dbraw/zinc/29/74/31/1286297431.db2.gz RUKJBXIKXXQTOS-NUEKZKHPSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704781280 1286297438 /nfs/dbraw/zinc/29/74/38/1286297438.db2.gz RUKJBXIKXXQTOS-NUEKZKHPSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1)CS(C)(=O)=O ZINC001707163413 1286485850 /nfs/dbraw/zinc/48/58/50/1286485850.db2.gz KQPDKIDPDSZIAV-KFWWJZLASA-N 2 2 370.519 0.850 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604891742 1287808836 /nfs/dbraw/zinc/80/88/36/1287808836.db2.gz GATSILSABJBQJX-AWEZNQCLSA-N 2 2 372.477 0.549 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001733255374 1288606934 /nfs/dbraw/zinc/60/69/34/1288606934.db2.gz ADSUHDWRGNPBGO-RBSFLKMASA-N 2 2 358.446 0.020 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607094499 1288659756 /nfs/dbraw/zinc/65/97/56/1288659756.db2.gz LHDNVOFQFARFLA-OLZOCXBDSA-N 2 2 355.402 0.477 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)CCC1 ZINC001735754807 1288856587 /nfs/dbraw/zinc/85/65/87/1288856587.db2.gz FKZBAZQNHYEOCO-HZPDHXFCSA-N 2 2 371.441 0.349 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(-c4nn[nH]n4)ncn3)CC2)CC1 ZINC001609227452 1288998964 /nfs/dbraw/zinc/99/89/64/1288998964.db2.gz WFHWIAXBJXGUTD-UHFFFAOYSA-N 2 2 357.466 0.653 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(-c4nn[nH]n4)ncn3)CC2)CC1 ZINC001609227452 1288998968 /nfs/dbraw/zinc/99/89/68/1288998968.db2.gz WFHWIAXBJXGUTD-UHFFFAOYSA-N 2 2 357.466 0.653 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001691886092 1289333640 /nfs/dbraw/zinc/33/36/40/1289333640.db2.gz ZGLDUBDBVOOYHR-GOEBONIOSA-N 2 2 358.446 0.799 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001691978447 1289354736 /nfs/dbraw/zinc/35/47/36/1289354736.db2.gz GYGSFZYZBZDGCO-RRQGHBQHSA-N 2 2 360.462 0.315 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001692087516 1289396343 /nfs/dbraw/zinc/39/63/43/1289396343.db2.gz GKGURSICEDRXOC-ZBFHGGJFSA-N 2 2 370.519 0.994 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001692175748 1289414774 /nfs/dbraw/zinc/41/47/74/1289414774.db2.gz FFVSFBDXNMTGLE-INMHGKMJSA-N 2 2 361.490 0.893 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001692175748 1289414777 /nfs/dbraw/zinc/41/47/77/1289414777.db2.gz FFVSFBDXNMTGLE-INMHGKMJSA-N 2 2 361.490 0.893 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1cc(C)ncn1 ZINC001692212002 1289427901 /nfs/dbraw/zinc/42/79/01/1289427901.db2.gz IJMZVQOUOCBAQL-ZWKOTPCHSA-N 2 2 361.490 0.976 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1cc(C)ncn1 ZINC001692212002 1289427905 /nfs/dbraw/zinc/42/79/05/1289427905.db2.gz IJMZVQOUOCBAQL-ZWKOTPCHSA-N 2 2 361.490 0.976 20 0 FCADLP CCOCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692237686 1289435059 /nfs/dbraw/zinc/43/50/59/1289435059.db2.gz MUPSLQATOBHGON-BZUAXINKSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001692237686 1289435063 /nfs/dbraw/zinc/43/50/63/1289435063.db2.gz MUPSLQATOBHGON-BZUAXINKSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692237686 1289435064 /nfs/dbraw/zinc/43/50/64/1289435064.db2.gz MUPSLQATOBHGON-BZUAXINKSA-N 2 2 350.463 0.835 20 0 FCADLP CCOCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001692237686 1289435069 /nfs/dbraw/zinc/43/50/69/1289435069.db2.gz MUPSLQATOBHGON-BZUAXINKSA-N 2 2 350.463 0.835 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N[C@@H](C)C3CC3)C2)CC[N@@H+]1C ZINC001692308436 1289446809 /nfs/dbraw/zinc/44/68/09/1289446809.db2.gz XXCRYPOTTACFRT-RRQGHBQHSA-N 2 2 350.507 0.679 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N[C@@H](C)C3CC3)C2)CC[N@H+]1C ZINC001692308436 1289446814 /nfs/dbraw/zinc/44/68/14/1289446814.db2.gz XXCRYPOTTACFRT-RRQGHBQHSA-N 2 2 350.507 0.679 20 0 FCADLP CCc1nnc(N(C)CC[NH+]2CCOCC2)n1CC[NH+]1CCSCC1 ZINC001694641795 1289482491 /nfs/dbraw/zinc/48/24/91/1289482491.db2.gz DEINUVBBTFDGOM-UHFFFAOYSA-N 2 2 368.551 0.658 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccnc(Cl)c1 ZINC001699067564 1289546030 /nfs/dbraw/zinc/54/60/30/1289546030.db2.gz WIDFPAFGOALYOX-MGPQQGTHSA-N 2 2 363.849 0.839 20 0 FCADLP C[C@@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699109336 1289546394 /nfs/dbraw/zinc/54/63/94/1289546394.db2.gz HWIPAPMXHVQOJA-NWANDNLSSA-N 2 2 368.503 0.822 20 0 FCADLP C[C@@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699109336 1289546398 /nfs/dbraw/zinc/54/63/98/1289546398.db2.gz HWIPAPMXHVQOJA-NWANDNLSSA-N 2 2 368.503 0.822 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(CO)cc1 ZINC001699067373 1289546434 /nfs/dbraw/zinc/54/64/34/1289546434.db2.gz SOBFVVUYFUILNB-BRWVUGGUSA-N 2 2 358.442 0.283 20 0 FCADLP CCN(CC[NH2+]Cc1ccc(OC)nn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699203950 1289547600 /nfs/dbraw/zinc/54/76/00/1289547600.db2.gz ROWBWHLAQKKNEJ-HUUCEWRRSA-N 2 2 358.446 0.961 20 0 FCADLP C[C@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001701319505 1289649795 /nfs/dbraw/zinc/64/97/95/1289649795.db2.gz SIXGEAMDDXEPDG-NUEKZKHPSA-N 2 2 361.490 0.829 20 0 FCADLP C[NH+](C)CCN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC001621508396 1290037733 /nfs/dbraw/zinc/03/77/33/1290037733.db2.gz KCNRYMUKIYRGMW-MRXNPFEDSA-N 2 2 368.503 0.334 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001739721406 1290393714 /nfs/dbraw/zinc/39/37/14/1290393714.db2.gz PNSOZOAAHMKMKA-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001739721406 1290393724 /nfs/dbraw/zinc/39/37/24/1290393724.db2.gz PNSOZOAAHMKMKA-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001755302953 1290642545 /nfs/dbraw/zinc/64/25/45/1290642545.db2.gz ITAMRVYKQNNFPK-FRRDWIJNSA-N 2 2 368.507 0.643 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)Nc2nncs2)CC[N@H+]1C ZINC001755302953 1290642556 /nfs/dbraw/zinc/64/25/56/1290642556.db2.gz ITAMRVYKQNNFPK-FRRDWIJNSA-N 2 2 368.507 0.643 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001755302953 1290642566 /nfs/dbraw/zinc/64/25/66/1290642566.db2.gz ITAMRVYKQNNFPK-FRRDWIJNSA-N 2 2 368.507 0.643 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc2nncs2)CC[NH+]1C ZINC001755302953 1290642573 /nfs/dbraw/zinc/64/25/73/1290642573.db2.gz ITAMRVYKQNNFPK-FRRDWIJNSA-N 2 2 368.507 0.643 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001757363907 1290761269 /nfs/dbraw/zinc/76/12/69/1290761269.db2.gz QQGZEYDMRJYARX-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001757363907 1290761271 /nfs/dbraw/zinc/76/12/71/1290761271.db2.gz QQGZEYDMRJYARX-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001757363907 1290761274 /nfs/dbraw/zinc/76/12/74/1290761274.db2.gz QQGZEYDMRJYARX-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953837 1290998163 /nfs/dbraw/zinc/99/81/63/1290998163.db2.gz XLGOJOISIZVAIJ-RDBSUJKOSA-N 2 2 360.466 0.874 20 0 FCADLP C[C@@H](c1nc(-c2nc[nH]n2)no1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001644953837 1290998170 /nfs/dbraw/zinc/99/81/70/1290998170.db2.gz XLGOJOISIZVAIJ-RDBSUJKOSA-N 2 2 360.466 0.874 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCS(=O)CC1 ZINC001653585891 1291354715 /nfs/dbraw/zinc/35/47/15/1291354715.db2.gz PYQJWELBUSHAJG-UHFFFAOYSA-N 2 2 364.515 0.963 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCS(=O)CC1 ZINC001653585891 1291354721 /nfs/dbraw/zinc/35/47/21/1291354721.db2.gz PYQJWELBUSHAJG-UHFFFAOYSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001654558546 1291418192 /nfs/dbraw/zinc/41/81/92/1291418192.db2.gz QFDMMJZSFVNDSW-RDJZCZTQSA-N 2 2 352.504 0.731 20 0 FCADLP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001654558546 1291418200 /nfs/dbraw/zinc/41/82/00/1291418200.db2.gz QFDMMJZSFVNDSW-RDJZCZTQSA-N 2 2 352.504 0.731 20 0 FCADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001656449451 1291524069 /nfs/dbraw/zinc/52/40/69/1291524069.db2.gz JPNBTCRRCIJTME-SFHVURJKSA-N 2 2 356.474 0.968 20 0 FCADLP CC[N@@H+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H](C)C1 ZINC001678668650 1292277685 /nfs/dbraw/zinc/27/76/85/1292277685.db2.gz UBNRDRPDQBCLBN-CQSZACIVSA-N 2 2 360.524 0.231 20 0 FCADLP CC[N@H+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H](C)C1 ZINC001678668650 1292277687 /nfs/dbraw/zinc/27/76/87/1292277687.db2.gz UBNRDRPDQBCLBN-CQSZACIVSA-N 2 2 360.524 0.231 20 0 FCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001678675413 1292278263 /nfs/dbraw/zinc/27/82/63/1292278263.db2.gz NXVVBEHIXRIGMX-ZMSDIMECSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001678675413 1292278272 /nfs/dbraw/zinc/27/82/72/1292278272.db2.gz NXVVBEHIXRIGMX-ZMSDIMECSA-N 2 2 361.490 0.967 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001684712506 1292317715 /nfs/dbraw/zinc/31/77/15/1292317715.db2.gz PBXYCZKLSWAUSY-RYQLBKOJSA-N 2 2 366.506 0.650 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001684712506 1292317726 /nfs/dbraw/zinc/31/77/26/1292317726.db2.gz PBXYCZKLSWAUSY-RYQLBKOJSA-N 2 2 366.506 0.650 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CC(=O)NC(C)C ZINC001689178494 1294647297 /nfs/dbraw/zinc/64/72/97/1294647297.db2.gz HKZCFZRKJXASRN-BHYGNILZSA-N 2 2 361.490 0.939 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CC(=O)NC(C)C ZINC001689178494 1294647307 /nfs/dbraw/zinc/64/73/07/1294647307.db2.gz HKZCFZRKJXASRN-BHYGNILZSA-N 2 2 361.490 0.939 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001689186785 1294654235 /nfs/dbraw/zinc/65/42/35/1294654235.db2.gz YOSXGWPCCMNWLR-LSDHHAIUSA-N 2 2 360.462 0.443 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001689186785 1294654243 /nfs/dbraw/zinc/65/42/43/1294654243.db2.gz YOSXGWPCCMNWLR-LSDHHAIUSA-N 2 2 360.462 0.443 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001689537552 1294792795 /nfs/dbraw/zinc/79/27/95/1294792795.db2.gz LYGBMYWVDSYXOL-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001689537552 1294792806 /nfs/dbraw/zinc/79/28/06/1294792806.db2.gz LYGBMYWVDSYXOL-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001689716135 1294827827 /nfs/dbraw/zinc/82/78/27/1294827827.db2.gz XGQMJIGEYYBHFQ-CLCXKQKWSA-N 2 2 359.474 0.727 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001689728657 1294831261 /nfs/dbraw/zinc/83/12/61/1294831261.db2.gz PGELKISTQFWGDL-CLCXKQKWSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001689728657 1294831271 /nfs/dbraw/zinc/83/12/71/1294831271.db2.gz PGELKISTQFWGDL-CLCXKQKWSA-N 2 2 361.490 0.973 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@H]21 ZINC001164669377 719432764 /nfs/dbraw/zinc/43/27/64/719432764.db2.gz LQJDEDXIIXSXTR-HUUCEWRRSA-N 2 2 359.478 0.591 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@H]21 ZINC001164669377 719432772 /nfs/dbraw/zinc/43/27/72/719432772.db2.gz LQJDEDXIIXSXTR-HUUCEWRRSA-N 2 2 359.478 0.591 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001164701868 719853668 /nfs/dbraw/zinc/85/36/68/719853668.db2.gz LHLXNZDKZJDIOP-KDOFPFPSSA-N 2 2 361.446 0.313 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902675 837554898 /nfs/dbraw/zinc/55/48/98/837554898.db2.gz JTKSMNUJUWMOFT-AGIUHOORSA-N 2 2 360.384 0.666 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902675 837554904 /nfs/dbraw/zinc/55/49/04/837554904.db2.gz JTKSMNUJUWMOFT-AGIUHOORSA-N 2 2 360.384 0.666 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902675 837554911 /nfs/dbraw/zinc/55/49/11/837554911.db2.gz JTKSMNUJUWMOFT-AGIUHOORSA-N 2 2 360.384 0.666 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069902675 837554919 /nfs/dbraw/zinc/55/49/19/837554919.db2.gz JTKSMNUJUWMOFT-AGIUHOORSA-N 2 2 360.384 0.666 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071074812 837724888 /nfs/dbraw/zinc/72/48/88/837724888.db2.gz ZNDRKBYECLNBJX-QAPCUYQASA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071101748 837733679 /nfs/dbraw/zinc/73/36/79/837733679.db2.gz ZDUUNKKMRWRGFX-AEFFLSMTSA-N 2 2 350.463 0.331 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N3CC[NH+](CC)CC3=O)C2)CC[N@@H+]1C ZINC001071265483 837737285 /nfs/dbraw/zinc/73/72/85/837737285.db2.gz JWPGJWKZXREJMA-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N3CC[NH+](CC)CC3=O)C2)CC[N@H+]1C ZINC001071265483 837737289 /nfs/dbraw/zinc/73/72/89/837737289.db2.gz JWPGJWKZXREJMA-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N3CC[N@H+](CC)CC3=O)C2)CC[NH+]1C ZINC001071265483 837737292 /nfs/dbraw/zinc/73/72/92/837737292.db2.gz JWPGJWKZXREJMA-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N3CC[N@@H+](CC)CC3=O)C2)CC[NH+]1C ZINC001071265483 837737296 /nfs/dbraw/zinc/73/72/96/837737296.db2.gz JWPGJWKZXREJMA-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001099325569 844025030 /nfs/dbraw/zinc/02/50/30/844025030.db2.gz RFPDBFGHVAJZPM-VXGBXAGGSA-N 2 2 350.385 0.183 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099342625 844034757 /nfs/dbraw/zinc/03/47/57/844034757.db2.gz QUPDVVLWGOTQFF-JHJVBQTASA-N 2 2 355.376 0.903 20 0 FCADLP COC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163426 836554123 /nfs/dbraw/zinc/55/41/23/836554123.db2.gz GIUOOIAMPIZYLY-KGLIPLIRSA-N 2 2 353.467 0.295 20 0 FCADLP COC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163426 836554127 /nfs/dbraw/zinc/55/41/27/836554127.db2.gz GIUOOIAMPIZYLY-KGLIPLIRSA-N 2 2 353.467 0.295 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101444673 844188309 /nfs/dbraw/zinc/18/83/09/844188309.db2.gz HSSDHKOOSDONME-PBHICJAKSA-N 2 2 368.503 0.476 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101444673 844188315 /nfs/dbraw/zinc/18/83/15/844188315.db2.gz HSSDHKOOSDONME-PBHICJAKSA-N 2 2 368.503 0.476 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001075813554 837905444 /nfs/dbraw/zinc/90/54/44/837905444.db2.gz MBODPJBQKGOKBL-CAOSSQGBSA-N 2 2 357.520 0.294 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001075813554 837905453 /nfs/dbraw/zinc/90/54/53/837905453.db2.gz MBODPJBQKGOKBL-CAOSSQGBSA-N 2 2 357.520 0.294 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001075813554 837905465 /nfs/dbraw/zinc/90/54/65/837905465.db2.gz MBODPJBQKGOKBL-CAOSSQGBSA-N 2 2 357.520 0.294 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001075813554 837905472 /nfs/dbraw/zinc/90/54/72/837905472.db2.gz MBODPJBQKGOKBL-CAOSSQGBSA-N 2 2 357.520 0.294 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076107177 837957113 /nfs/dbraw/zinc/95/71/13/837957113.db2.gz KNEPPHAILFNUFA-HRCADAONSA-N 2 2 366.487 0.241 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076107177 837957116 /nfs/dbraw/zinc/95/71/16/837957116.db2.gz KNEPPHAILFNUFA-HRCADAONSA-N 2 2 366.487 0.241 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccns4)C[C@H]32)C1 ZINC001076594937 838026170 /nfs/dbraw/zinc/02/61/70/838026170.db2.gz YPVJIHSNYNCFJJ-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccns4)C[C@H]32)C1 ZINC001076594937 838026175 /nfs/dbraw/zinc/02/61/75/838026175.db2.gz YPVJIHSNYNCFJJ-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccns4)C[C@H]32)C1 ZINC001076594937 838026185 /nfs/dbraw/zinc/02/61/85/838026185.db2.gz YPVJIHSNYNCFJJ-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccns4)C[C@H]32)C1 ZINC001076594937 838026193 /nfs/dbraw/zinc/02/61/93/838026193.db2.gz YPVJIHSNYNCFJJ-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncs4)C[C@H]32)C1 ZINC001076594916 838026955 /nfs/dbraw/zinc/02/69/55/838026955.db2.gz XSJLHTMWUMVINC-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncs4)C[C@H]32)C1 ZINC001076594916 838026958 /nfs/dbraw/zinc/02/69/58/838026958.db2.gz XSJLHTMWUMVINC-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cncs4)C[C@H]32)C1 ZINC001076594916 838026968 /nfs/dbraw/zinc/02/69/68/838026968.db2.gz XSJLHTMWUMVINC-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cncs4)C[C@H]32)C1 ZINC001076594916 838026978 /nfs/dbraw/zinc/02/69/78/838026978.db2.gz XSJLHTMWUMVINC-NUEKZKHPSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001076805286 838112671 /nfs/dbraw/zinc/11/26/71/838112671.db2.gz AMFRIJODKJTLOS-OWCLPIDISA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001076805286 838112679 /nfs/dbraw/zinc/11/26/79/838112679.db2.gz AMFRIJODKJTLOS-OWCLPIDISA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001076805286 838112685 /nfs/dbraw/zinc/11/26/85/838112685.db2.gz AMFRIJODKJTLOS-OWCLPIDISA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001076805286 838112694 /nfs/dbraw/zinc/11/26/94/838112694.db2.gz AMFRIJODKJTLOS-OWCLPIDISA-N 2 2 351.422 0.460 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023477 838223497 /nfs/dbraw/zinc/22/34/97/838223497.db2.gz BQZISYJWBCUOMD-RRCSTGOVSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077023477 838223500 /nfs/dbraw/zinc/22/35/00/838223500.db2.gz BQZISYJWBCUOMD-RRCSTGOVSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023477 838223518 /nfs/dbraw/zinc/22/35/18/838223518.db2.gz BQZISYJWBCUOMD-RRCSTGOVSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077023477 838223527 /nfs/dbraw/zinc/22/35/27/838223527.db2.gz BQZISYJWBCUOMD-RRCSTGOVSA-N 2 2 350.463 0.547 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@H]2O)CC[N@@H+]1C ZINC001077026996 838225058 /nfs/dbraw/zinc/22/50/58/838225058.db2.gz WYKKOWPIYJBYPA-RKTXRCNFSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@H]2O)CC[N@H+]1C ZINC001077026996 838225066 /nfs/dbraw/zinc/22/50/66/838225066.db2.gz WYKKOWPIYJBYPA-RKTXRCNFSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2O)CC[NH+]1C ZINC001077026996 838225076 /nfs/dbraw/zinc/22/50/76/838225076.db2.gz WYKKOWPIYJBYPA-RKTXRCNFSA-N 2 2 350.463 0.683 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2O)CC[NH+]1C ZINC001077026996 838225089 /nfs/dbraw/zinc/22/50/89/838225089.db2.gz WYKKOWPIYJBYPA-RKTXRCNFSA-N 2 2 350.463 0.683 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091240 838725066 /nfs/dbraw/zinc/72/50/66/838725066.db2.gz RPGNMYBEZMAWAY-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091240 838725070 /nfs/dbraw/zinc/72/50/70/838725070.db2.gz RPGNMYBEZMAWAY-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091240 838725074 /nfs/dbraw/zinc/72/50/74/838725074.db2.gz RPGNMYBEZMAWAY-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077091240 838725077 /nfs/dbraw/zinc/72/50/77/838725077.db2.gz RPGNMYBEZMAWAY-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127871 838751346 /nfs/dbraw/zinc/75/13/46/838751346.db2.gz NANHIPSJLIUFLE-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127871 838751349 /nfs/dbraw/zinc/75/13/49/838751349.db2.gz NANHIPSJLIUFLE-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127871 838751352 /nfs/dbraw/zinc/75/13/52/838751352.db2.gz NANHIPSJLIUFLE-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127871 838751358 /nfs/dbraw/zinc/75/13/58/838751358.db2.gz NANHIPSJLIUFLE-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001077128083 838752551 /nfs/dbraw/zinc/75/25/51/838752551.db2.gz WLSPTVULZCOKFY-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001077128083 838752558 /nfs/dbraw/zinc/75/25/58/838752558.db2.gz WLSPTVULZCOKFY-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077128083 838752561 /nfs/dbraw/zinc/75/25/61/838752561.db2.gz WLSPTVULZCOKFY-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077128083 838752567 /nfs/dbraw/zinc/75/25/67/838752567.db2.gz WLSPTVULZCOKFY-USXIJHARSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)c[nH+]1 ZINC001077209455 838816314 /nfs/dbraw/zinc/81/63/14/838816314.db2.gz IUJXVDLAJOFEHN-BZUAXINKSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)c[nH+]1 ZINC001077209455 838816322 /nfs/dbraw/zinc/81/63/22/838816322.db2.gz IUJXVDLAJOFEHN-BZUAXINKSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)s1 ZINC001077237370 838841875 /nfs/dbraw/zinc/84/18/75/838841875.db2.gz HLGZUQQGOQFJLI-RBSFLKMASA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)s1 ZINC001077237370 838841890 /nfs/dbraw/zinc/84/18/90/838841890.db2.gz HLGZUQQGOQFJLI-RBSFLKMASA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)s1 ZINC001077237370 838841898 /nfs/dbraw/zinc/84/18/98/838841898.db2.gz HLGZUQQGOQFJLI-RBSFLKMASA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)s1 ZINC001077237370 838841910 /nfs/dbraw/zinc/84/19/10/838841910.db2.gz HLGZUQQGOQFJLI-RBSFLKMASA-N 2 2 352.504 0.906 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077259281 838856191 /nfs/dbraw/zinc/85/61/91/838856191.db2.gz MWQBQAVDYDRNKV-FVQBIDKESA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077259281 838856201 /nfs/dbraw/zinc/85/62/01/838856201.db2.gz MWQBQAVDYDRNKV-FVQBIDKESA-N 2 2 360.483 0.911 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1C ZINC001102015648 844375160 /nfs/dbraw/zinc/37/51/60/844375160.db2.gz NFGOBKMZYLUZKI-RBSFLKMASA-N 2 2 354.474 0.679 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC001102015648 844375172 /nfs/dbraw/zinc/37/51/72/844375172.db2.gz NFGOBKMZYLUZKI-RBSFLKMASA-N 2 2 354.474 0.679 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)s1 ZINC001077440928 838968565 /nfs/dbraw/zinc/96/85/65/838968565.db2.gz XYVUYADZETUSGS-ZACQAIPSSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)s1 ZINC001077440928 838968570 /nfs/dbraw/zinc/96/85/70/838968570.db2.gz XYVUYADZETUSGS-ZACQAIPSSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001077505135 839003314 /nfs/dbraw/zinc/00/33/14/839003314.db2.gz PYQUVJYXIKVFBG-HUUCEWRRSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001077505135 839003325 /nfs/dbraw/zinc/00/33/25/839003325.db2.gz PYQUVJYXIKVFBG-HUUCEWRRSA-N 2 2 350.463 0.827 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102031866 844390472 /nfs/dbraw/zinc/39/04/72/844390472.db2.gz GYCLGFFWKYHMJG-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001102031866 844390474 /nfs/dbraw/zinc/39/04/74/844390474.db2.gz GYCLGFFWKYHMJG-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554085 839030104 /nfs/dbraw/zinc/03/01/04/839030104.db2.gz XRMHCPBUVUQBHQ-ARFHVFGLSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554085 839030107 /nfs/dbraw/zinc/03/01/07/839030107.db2.gz XRMHCPBUVUQBHQ-ARFHVFGLSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554085 839030121 /nfs/dbraw/zinc/03/01/21/839030121.db2.gz XRMHCPBUVUQBHQ-ARFHVFGLSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554085 839030128 /nfs/dbraw/zinc/03/01/28/839030128.db2.gz XRMHCPBUVUQBHQ-ARFHVFGLSA-N 2 2 350.463 0.766 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566798 839040137 /nfs/dbraw/zinc/04/01/37/839040137.db2.gz OKGKZISBUUVWET-UPJWGTAASA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566798 839040149 /nfs/dbraw/zinc/04/01/49/839040149.db2.gz OKGKZISBUUVWET-UPJWGTAASA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566798 839040161 /nfs/dbraw/zinc/04/01/61/839040161.db2.gz OKGKZISBUUVWET-UPJWGTAASA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)C1 ZINC001077566798 839040170 /nfs/dbraw/zinc/04/01/70/839040170.db2.gz OKGKZISBUUVWET-UPJWGTAASA-N 2 2 353.385 0.209 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001077679336 839106830 /nfs/dbraw/zinc/10/68/30/839106830.db2.gz OXYPYOGETXSDRR-NWANDNLSSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001077679336 839106837 /nfs/dbraw/zinc/10/68/37/839106837.db2.gz OXYPYOGETXSDRR-NWANDNLSSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001077679336 839106840 /nfs/dbraw/zinc/10/68/40/839106840.db2.gz OXYPYOGETXSDRR-NWANDNLSSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001077679336 839106846 /nfs/dbraw/zinc/10/68/46/839106846.db2.gz OXYPYOGETXSDRR-NWANDNLSSA-N 2 2 350.463 0.549 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088302 844408768 /nfs/dbraw/zinc/40/87/68/844408768.db2.gz RRGXHOSLGUIMNK-RBSFLKMASA-N 2 2 351.499 0.607 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088302 844408773 /nfs/dbraw/zinc/40/87/73/844408773.db2.gz RRGXHOSLGUIMNK-RBSFLKMASA-N 2 2 351.499 0.607 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001078174162 839378193 /nfs/dbraw/zinc/37/81/93/839378193.db2.gz CVCOVKITKYSUGH-FVQBIDKESA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1F ZINC001078174162 839378208 /nfs/dbraw/zinc/37/82/08/839378208.db2.gz CVCOVKITKYSUGH-FVQBIDKESA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001078174162 839378221 /nfs/dbraw/zinc/37/82/21/839378221.db2.gz CVCOVKITKYSUGH-FVQBIDKESA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001078174162 839378235 /nfs/dbraw/zinc/37/82/35/839378235.db2.gz CVCOVKITKYSUGH-FVQBIDKESA-N 2 2 351.422 0.447 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001078179181 839384747 /nfs/dbraw/zinc/38/47/47/839384747.db2.gz XPCYOIXBJBOUBK-IAGOWNOFSA-N 2 2 353.413 0.764 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001078179181 839384760 /nfs/dbraw/zinc/38/47/60/839384760.db2.gz XPCYOIXBJBOUBK-IAGOWNOFSA-N 2 2 353.413 0.764 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078180213 839384915 /nfs/dbraw/zinc/38/49/15/839384915.db2.gz RKBZHYUUYSGHKV-IXDOHACOSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001078180213 839384926 /nfs/dbraw/zinc/38/49/26/839384926.db2.gz RKBZHYUUYSGHKV-IXDOHACOSA-N 2 2 351.422 0.116 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001078228575 839419232 /nfs/dbraw/zinc/41/92/32/839419232.db2.gz WGJQASRJUZWXEB-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001078228575 839419237 /nfs/dbraw/zinc/41/92/37/839419237.db2.gz WGJQASRJUZWXEB-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001078228575 839419244 /nfs/dbraw/zinc/41/92/44/839419244.db2.gz WGJQASRJUZWXEB-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001078228575 839419249 /nfs/dbraw/zinc/41/92/49/839419249.db2.gz WGJQASRJUZWXEB-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001078405291 839458354 /nfs/dbraw/zinc/45/83/54/839458354.db2.gz JXVLXNWCGLPQAL-BPLDGKMQSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001078405291 839458357 /nfs/dbraw/zinc/45/83/57/839458357.db2.gz JXVLXNWCGLPQAL-BPLDGKMQSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940649 839838393 /nfs/dbraw/zinc/83/83/93/839838393.db2.gz BDAIVMCCQUWISB-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940649 839838399 /nfs/dbraw/zinc/83/83/99/839838399.db2.gz BDAIVMCCQUWISB-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080979627 839853630 /nfs/dbraw/zinc/85/36/30/839853630.db2.gz VSZCVKXLDBKZSW-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080979627 839853641 /nfs/dbraw/zinc/85/36/41/839853641.db2.gz VSZCVKXLDBKZSW-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080979627 839853647 /nfs/dbraw/zinc/85/36/47/839853647.db2.gz VSZCVKXLDBKZSW-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080979627 839853655 /nfs/dbraw/zinc/85/36/55/839853655.db2.gz VSZCVKXLDBKZSW-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445872 839932548 /nfs/dbraw/zinc/93/25/48/839932548.db2.gz FIYXWJSPROFGDX-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445872 839932553 /nfs/dbraw/zinc/93/25/53/839932553.db2.gz FIYXWJSPROFGDX-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081445872 839932558 /nfs/dbraw/zinc/93/25/58/839932558.db2.gz FIYXWJSPROFGDX-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081445872 839932563 /nfs/dbraw/zinc/93/25/63/839932563.db2.gz FIYXWJSPROFGDX-QLFBSQMISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694278 840003014 /nfs/dbraw/zinc/00/30/14/840003014.db2.gz UMUPZTKSAZXZPU-DTZQCDIJSA-N 2 2 369.897 0.692 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694278 840003022 /nfs/dbraw/zinc/00/30/22/840003022.db2.gz UMUPZTKSAZXZPU-DTZQCDIJSA-N 2 2 369.897 0.692 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694278 840003029 /nfs/dbraw/zinc/00/30/29/840003029.db2.gz UMUPZTKSAZXZPU-DTZQCDIJSA-N 2 2 369.897 0.692 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694278 840003039 /nfs/dbraw/zinc/00/30/39/840003039.db2.gz UMUPZTKSAZXZPU-DTZQCDIJSA-N 2 2 369.897 0.692 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1)OC ZINC001081879871 840081114 /nfs/dbraw/zinc/08/11/14/840081114.db2.gz CMKMBRMHAZKIPK-DAXOMENPSA-N 2 2 354.451 0.590 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1)OC ZINC001081879871 840081123 /nfs/dbraw/zinc/08/11/23/840081123.db2.gz CMKMBRMHAZKIPK-DAXOMENPSA-N 2 2 354.451 0.590 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082019766 840147463 /nfs/dbraw/zinc/14/74/63/840147463.db2.gz NTOYIDUZHNWUDU-RRFJBIMHSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082019766 840147472 /nfs/dbraw/zinc/14/74/72/840147472.db2.gz NTOYIDUZHNWUDU-RRFJBIMHSA-N 2 2 354.495 0.153 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102465906 844508000 /nfs/dbraw/zinc/50/80/00/844508000.db2.gz BGAQQUSRVOFKSN-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102465906 844508009 /nfs/dbraw/zinc/50/80/09/844508009.db2.gz BGAQQUSRVOFKSN-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483069 844520695 /nfs/dbraw/zinc/52/06/95/844520695.db2.gz WFYGPWYZSAHQSD-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483069 844520703 /nfs/dbraw/zinc/52/07/03/844520703.db2.gz WFYGPWYZSAHQSD-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483068 844520897 /nfs/dbraw/zinc/52/08/97/844520897.db2.gz WFYGPWYZSAHQSD-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483068 844520905 /nfs/dbraw/zinc/52/09/05/844520905.db2.gz WFYGPWYZSAHQSD-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291356 840282090 /nfs/dbraw/zinc/28/20/90/840282090.db2.gz NQGIWDOLXFTICP-NUEKZKHPSA-N 2 2 354.495 0.057 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291356 840282100 /nfs/dbraw/zinc/28/21/00/840282100.db2.gz NQGIWDOLXFTICP-NUEKZKHPSA-N 2 2 354.495 0.057 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457784 840420220 /nfs/dbraw/zinc/42/02/20/840420220.db2.gz FPFGRBWDIOIOIQ-DFBGVHRSSA-N 2 2 369.897 0.649 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457784 840420225 /nfs/dbraw/zinc/42/02/25/840420225.db2.gz FPFGRBWDIOIOIQ-DFBGVHRSSA-N 2 2 369.897 0.649 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082459022 840421897 /nfs/dbraw/zinc/42/18/97/840421897.db2.gz GQVRNEWQVJDAHB-YUELXQCFSA-N 2 2 352.504 0.973 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082459022 840421903 /nfs/dbraw/zinc/42/19/03/840421903.db2.gz GQVRNEWQVJDAHB-YUELXQCFSA-N 2 2 352.504 0.973 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nncs1 ZINC001082592440 840480084 /nfs/dbraw/zinc/48/00/84/840480084.db2.gz FPAVABVWMPKBDC-ZIAGYGMSSA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082673272 840520420 /nfs/dbraw/zinc/52/04/20/840520420.db2.gz AUMVERLDZDBDRM-GDBMZVCRSA-N 2 2 368.503 0.535 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082827787 840575841 /nfs/dbraw/zinc/57/58/41/840575841.db2.gz AGYLQLYOIMBPSY-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082861180 840587214 /nfs/dbraw/zinc/58/72/14/840587214.db2.gz MQZOHFURBZXFHG-IIAWOOMASA-N 2 2 368.503 0.224 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)s1 ZINC001082923409 840603843 /nfs/dbraw/zinc/60/38/43/840603843.db2.gz IUZBOYQEZYAZEV-VNHYZAJKSA-N 2 2 367.519 0.751 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnc3OC)C2)C1 ZINC001082934317 840612934 /nfs/dbraw/zinc/61/29/34/840612934.db2.gz IGTFQCXQGJUVFP-YUELXQCFSA-N 2 2 368.503 0.809 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnc3OC)C2)C1 ZINC001082934317 840612941 /nfs/dbraw/zinc/61/29/41/840612941.db2.gz IGTFQCXQGJUVFP-YUELXQCFSA-N 2 2 368.503 0.809 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082939107 840614295 /nfs/dbraw/zinc/61/42/95/840614295.db2.gz AYACGKZNLDRZSS-BPLDGKMQSA-N 2 2 364.515 0.807 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082939107 840614300 /nfs/dbraw/zinc/61/43/00/840614300.db2.gz AYACGKZNLDRZSS-BPLDGKMQSA-N 2 2 364.515 0.807 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082939108 840614654 /nfs/dbraw/zinc/61/46/54/840614654.db2.gz AYACGKZNLDRZSS-VHDGCEQUSA-N 2 2 364.515 0.807 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082939108 840614660 /nfs/dbraw/zinc/61/46/60/840614660.db2.gz AYACGKZNLDRZSS-VHDGCEQUSA-N 2 2 364.515 0.807 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023979 840660704 /nfs/dbraw/zinc/66/07/04/840660704.db2.gz WDCRBTHJSNGYOW-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023979 840660708 /nfs/dbraw/zinc/66/07/08/840660708.db2.gz WDCRBTHJSNGYOW-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023979 840660713 /nfs/dbraw/zinc/66/07/13/840660713.db2.gz WDCRBTHJSNGYOW-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023979 840660716 /nfs/dbraw/zinc/66/07/16/840660716.db2.gz WDCRBTHJSNGYOW-SOUVJXGZSA-N 2 2 350.488 0.957 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035656 840668130 /nfs/dbraw/zinc/66/81/30/840668130.db2.gz YOLZOXHJSXSILL-GVDBMIGSSA-N 2 2 365.499 0.533 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035656 840668135 /nfs/dbraw/zinc/66/81/35/840668135.db2.gz YOLZOXHJSXSILL-GVDBMIGSSA-N 2 2 365.499 0.533 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035656 840668139 /nfs/dbraw/zinc/66/81/39/840668139.db2.gz YOLZOXHJSXSILL-GVDBMIGSSA-N 2 2 365.499 0.533 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035656 840668143 /nfs/dbraw/zinc/66/81/43/840668143.db2.gz YOLZOXHJSXSILL-GVDBMIGSSA-N 2 2 365.499 0.533 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC001083086215 840698247 /nfs/dbraw/zinc/69/82/47/840698247.db2.gz GINVURXIYKZBAN-HRCADAONSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC001083086215 840698254 /nfs/dbraw/zinc/69/82/54/840698254.db2.gz GINVURXIYKZBAN-HRCADAONSA-N 2 2 350.463 0.955 20 0 FCADLP 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C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C ZINC001102580851 844573940 /nfs/dbraw/zinc/57/39/40/844573940.db2.gz OBAYZQPLTLKNGZ-QLFBSQMISA-N 2 2 367.519 0.691 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249488 840834041 /nfs/dbraw/zinc/83/40/41/840834041.db2.gz HIYKGDURAKIPHO-LSDHHAIUSA-N 2 2 362.499 0.959 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249488 840834054 /nfs/dbraw/zinc/83/40/54/840834054.db2.gz HIYKGDURAKIPHO-LSDHHAIUSA-N 2 2 362.499 0.959 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1C ZINC001102600993 844592749 /nfs/dbraw/zinc/59/27/49/844592749.db2.gz GGLZFPLJPIZVLS-HUUCEWRRSA-N 2 2 354.474 0.772 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1C ZINC001102600993 844592755 /nfs/dbraw/zinc/59/27/55/844592755.db2.gz GGLZFPLJPIZVLS-HUUCEWRRSA-N 2 2 354.474 0.772 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102600993 844592763 /nfs/dbraw/zinc/59/27/63/844592763.db2.gz GGLZFPLJPIZVLS-HUUCEWRRSA-N 2 2 354.474 0.772 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102600993 844592770 /nfs/dbraw/zinc/59/27/70/844592770.db2.gz GGLZFPLJPIZVLS-HUUCEWRRSA-N 2 2 354.474 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473107 841049016 /nfs/dbraw/zinc/04/90/16/841049016.db2.gz IOXVGFFEZLJSON-NGFQHRJXSA-N 2 2 355.870 0.038 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001083473107 841049027 /nfs/dbraw/zinc/04/90/27/841049027.db2.gz IOXVGFFEZLJSON-NGFQHRJXSA-N 2 2 355.870 0.038 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001083473107 841049043 /nfs/dbraw/zinc/04/90/43/841049043.db2.gz IOXVGFFEZLJSON-NGFQHRJXSA-N 2 2 355.870 0.038 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001083473107 841049054 /nfs/dbraw/zinc/04/90/54/841049054.db2.gz IOXVGFFEZLJSON-NGFQHRJXSA-N 2 2 355.870 0.038 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613650 844602465 /nfs/dbraw/zinc/60/24/65/844602465.db2.gz OGHSTIZCOTWRLO-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613650 844602467 /nfs/dbraw/zinc/60/24/67/844602467.db2.gz OGHSTIZCOTWRLO-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616885 844605029 /nfs/dbraw/zinc/60/50/29/844605029.db2.gz WRHUQLMGJAHFJV-ZACQAIPSSA-N 2 2 350.463 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616885 844605034 /nfs/dbraw/zinc/60/50/34/844605034.db2.gz WRHUQLMGJAHFJV-ZACQAIPSSA-N 2 2 350.463 0.763 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001083505501 841094256 /nfs/dbraw/zinc/09/42/56/841094256.db2.gz QMQBHLSOVOQUCQ-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001083505501 841094268 /nfs/dbraw/zinc/09/42/68/841094268.db2.gz QMQBHLSOVOQUCQ-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1O ZINC001083505501 841094279 /nfs/dbraw/zinc/09/42/79/841094279.db2.gz QMQBHLSOVOQUCQ-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1O ZINC001083505501 841094291 /nfs/dbraw/zinc/09/42/91/841094291.db2.gz QMQBHLSOVOQUCQ-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518917 841114828 /nfs/dbraw/zinc/11/48/28/841114828.db2.gz WLSPTVULZCOKFY-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518917 841114830 /nfs/dbraw/zinc/11/48/30/841114830.db2.gz WLSPTVULZCOKFY-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518917 841114835 /nfs/dbraw/zinc/11/48/35/841114835.db2.gz WLSPTVULZCOKFY-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H](O)C2)o1 ZINC001083518917 841114839 /nfs/dbraw/zinc/11/48/39/841114839.db2.gz WLSPTVULZCOKFY-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518643 841114852 /nfs/dbraw/zinc/11/48/52/841114852.db2.gz JGBAJFROEDCEJD-XHSDSOJGSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518643 841114856 /nfs/dbraw/zinc/11/48/56/841114856.db2.gz JGBAJFROEDCEJD-XHSDSOJGSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518643 841114863 /nfs/dbraw/zinc/11/48/63/841114863.db2.gz JGBAJFROEDCEJD-XHSDSOJGSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518643 841114866 /nfs/dbraw/zinc/11/48/66/841114866.db2.gz JGBAJFROEDCEJD-XHSDSOJGSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521944 841119739 /nfs/dbraw/zinc/11/97/39/841119739.db2.gz NANHIPSJLIUFLE-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521944 841119746 /nfs/dbraw/zinc/11/97/46/841119746.db2.gz NANHIPSJLIUFLE-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521944 841119755 /nfs/dbraw/zinc/11/97/55/841119755.db2.gz NANHIPSJLIUFLE-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521944 841119762 /nfs/dbraw/zinc/11/97/62/841119762.db2.gz NANHIPSJLIUFLE-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524765 841124587 /nfs/dbraw/zinc/12/45/87/841124587.db2.gz JLSHBOAZPBOPNF-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524765 841124591 /nfs/dbraw/zinc/12/45/91/841124591.db2.gz JLSHBOAZPBOPNF-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524765 841124594 /nfs/dbraw/zinc/12/45/94/841124594.db2.gz JLSHBOAZPBOPNF-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)o1 ZINC001083524765 841124600 /nfs/dbraw/zinc/12/46/00/841124600.db2.gz JLSHBOAZPBOPNF-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083695714 841325190 /nfs/dbraw/zinc/32/51/90/841325190.db2.gz OBWVCUXBGCDHRX-CVEARBPZSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083695714 841325202 /nfs/dbraw/zinc/32/52/02/841325202.db2.gz OBWVCUXBGCDHRX-CVEARBPZSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719842 841353686 /nfs/dbraw/zinc/35/36/86/841353686.db2.gz YWZBVRNXOWWLMB-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719842 841353693 /nfs/dbraw/zinc/35/36/93/841353693.db2.gz YWZBVRNXOWWLMB-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719842 841353700 /nfs/dbraw/zinc/35/37/00/841353700.db2.gz YWZBVRNXOWWLMB-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)C1 ZINC001083719842 841353706 /nfs/dbraw/zinc/35/37/06/841353706.db2.gz YWZBVRNXOWWLMB-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727134 841367817 /nfs/dbraw/zinc/36/78/17/841367817.db2.gz MMMAHUXUFRLBQT-KSYCFECVSA-N 2 2 350.463 0.683 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727134 841367829 /nfs/dbraw/zinc/36/78/29/841367829.db2.gz MMMAHUXUFRLBQT-KSYCFECVSA-N 2 2 350.463 0.683 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727134 841367842 /nfs/dbraw/zinc/36/78/42/841367842.db2.gz MMMAHUXUFRLBQT-KSYCFECVSA-N 2 2 350.463 0.683 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727134 841367857 /nfs/dbraw/zinc/36/78/57/841367857.db2.gz MMMAHUXUFRLBQT-KSYCFECVSA-N 2 2 350.463 0.683 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779116 841426219 /nfs/dbraw/zinc/42/62/19/841426219.db2.gz MXFWLXPRGANHJG-WQVCFCJDSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779116 841426224 /nfs/dbraw/zinc/42/62/24/841426224.db2.gz MXFWLXPRGANHJG-WQVCFCJDSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779116 841426228 /nfs/dbraw/zinc/42/62/28/841426228.db2.gz MXFWLXPRGANHJG-WQVCFCJDSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083779116 841426232 /nfs/dbraw/zinc/42/62/32/841426232.db2.gz MXFWLXPRGANHJG-WQVCFCJDSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083780750 841427369 /nfs/dbraw/zinc/42/73/69/841427369.db2.gz IYXIOLITRMAOBV-KGLIPLIRSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083780750 841427371 /nfs/dbraw/zinc/42/73/71/841427371.db2.gz IYXIOLITRMAOBV-KGLIPLIRSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083780750 841427372 /nfs/dbraw/zinc/42/73/72/841427372.db2.gz IYXIOLITRMAOBV-KGLIPLIRSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083780750 841427374 /nfs/dbraw/zinc/42/73/74/841427374.db2.gz IYXIOLITRMAOBV-KGLIPLIRSA-N 2 2 352.504 0.845 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781862 841429947 /nfs/dbraw/zinc/42/99/47/841429947.db2.gz XTIVGFCVQAHARG-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781862 841429951 /nfs/dbraw/zinc/42/99/51/841429951.db2.gz XTIVGFCVQAHARG-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781862 841429955 /nfs/dbraw/zinc/42/99/55/841429955.db2.gz XTIVGFCVQAHARG-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781862 841429956 /nfs/dbraw/zinc/42/99/56/841429956.db2.gz XTIVGFCVQAHARG-CFVMTHIKSA-N 2 2 355.870 0.040 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781609 841430361 /nfs/dbraw/zinc/43/03/61/841430361.db2.gz OOFSJQPSLYTYDH-WQVCFCJDSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781609 841430366 /nfs/dbraw/zinc/43/03/66/841430366.db2.gz OOFSJQPSLYTYDH-WQVCFCJDSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781609 841430370 /nfs/dbraw/zinc/43/03/70/841430370.db2.gz OOFSJQPSLYTYDH-WQVCFCJDSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781609 841430376 /nfs/dbraw/zinc/43/03/76/841430376.db2.gz OOFSJQPSLYTYDH-WQVCFCJDSA-N 2 2 350.463 0.549 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083783202 841433674 /nfs/dbraw/zinc/43/36/74/841433674.db2.gz FPSFSPVZYMQVTH-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083783202 841433681 /nfs/dbraw/zinc/43/36/81/841433681.db2.gz FPSFSPVZYMQVTH-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP COCCOCN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275833438 861219441 /nfs/dbraw/zinc/21/94/41/861219441.db2.gz GGJXLCWSOYIYKR-UHFFFAOYSA-N 2 2 355.479 0.252 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083997587 841627712 /nfs/dbraw/zinc/62/77/12/841627712.db2.gz DMDSLCGTSDHUAT-SJORKVTESA-N 2 2 350.463 0.629 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083997587 841627717 /nfs/dbraw/zinc/62/77/17/841627717.db2.gz DMDSLCGTSDHUAT-SJORKVTESA-N 2 2 350.463 0.629 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053044 841667142 /nfs/dbraw/zinc/66/71/42/841667142.db2.gz QOLQRXJAMWZPCL-KFWWJZLASA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053044 841667148 /nfs/dbraw/zinc/66/71/48/841667148.db2.gz QOLQRXJAMWZPCL-KFWWJZLASA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053044 841667153 /nfs/dbraw/zinc/66/71/53/841667153.db2.gz QOLQRXJAMWZPCL-KFWWJZLASA-N 2 2 350.463 0.719 20 0 FCADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053044 841667161 /nfs/dbraw/zinc/66/71/61/841667161.db2.gz QOLQRXJAMWZPCL-KFWWJZLASA-N 2 2 350.463 0.719 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091867 841700681 /nfs/dbraw/zinc/70/06/81/841700681.db2.gz SWPIXKHZHUNZKO-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091867 841700691 /nfs/dbraw/zinc/70/06/91/841700691.db2.gz SWPIXKHZHUNZKO-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091867 841700699 /nfs/dbraw/zinc/70/06/99/841700699.db2.gz SWPIXKHZHUNZKO-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001084091867 841700708 /nfs/dbraw/zinc/70/07/08/841700708.db2.gz SWPIXKHZHUNZKO-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084251575 841755442 /nfs/dbraw/zinc/75/54/42/841755442.db2.gz SVCDBCWLVULVEO-BMFZPTHFSA-N 2 2 350.488 0.549 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001084251575 841755447 /nfs/dbraw/zinc/75/54/47/841755447.db2.gz SVCDBCWLVULVEO-BMFZPTHFSA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084251575 841755452 /nfs/dbraw/zinc/75/54/52/841755452.db2.gz SVCDBCWLVULVEO-BMFZPTHFSA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001084251575 841755460 /nfs/dbraw/zinc/75/54/60/841755460.db2.gz SVCDBCWLVULVEO-BMFZPTHFSA-N 2 2 350.488 0.549 20 0 FCADLP CC[NH+]1CCC(C[N@@H+]2C[C@]3(F)CN(CC[NH+](C)C)C(=O)[C@]3(F)C2)CC1 ZINC001275877613 861241670 /nfs/dbraw/zinc/24/16/70/861241670.db2.gz DRBCYGKEJHTNGO-ZWKOTPCHSA-N 3 2 358.477 0.854 20 0 FCADLP CC[NH+]1CCC(C[N@H+]2C[C@]3(F)CN(CC[NH+](C)C)C(=O)[C@]3(F)C2)CC1 ZINC001275877613 861241681 /nfs/dbraw/zinc/24/16/81/861241681.db2.gz DRBCYGKEJHTNGO-ZWKOTPCHSA-N 3 2 358.477 0.854 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001085158951 842030342 /nfs/dbraw/zinc/03/03/42/842030342.db2.gz CEQZGDDJKMEPEU-OAGGEKHMSA-N 2 2 350.467 0.146 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001085158951 842030356 /nfs/dbraw/zinc/03/03/56/842030356.db2.gz CEQZGDDJKMEPEU-OAGGEKHMSA-N 2 2 350.467 0.146 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)O1 ZINC001085242909 842055534 /nfs/dbraw/zinc/05/55/34/842055534.db2.gz MAMYJVFWQDMFEM-KBUPBQIOSA-N 2 2 350.467 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)O1 ZINC001085242909 842055545 /nfs/dbraw/zinc/05/55/45/842055545.db2.gz MAMYJVFWQDMFEM-KBUPBQIOSA-N 2 2 350.467 0.051 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085281635 842066787 /nfs/dbraw/zinc/06/67/87/842066787.db2.gz CFHWLLSZXHGDLQ-VQHPVUNQSA-N 2 2 357.470 0.853 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[NH+]2CCCC2)n1 ZINC001085423057 842099305 /nfs/dbraw/zinc/09/93/05/842099305.db2.gz VLCRJUJAEOYYCB-ZIAGYGMSSA-N 2 2 351.451 0.829 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001085429090 842101726 /nfs/dbraw/zinc/10/17/26/842101726.db2.gz GMDDNXXDYFBUHV-KFWWJZLASA-N 2 2 350.467 0.351 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001085429090 842101731 /nfs/dbraw/zinc/10/17/31/842101731.db2.gz GMDDNXXDYFBUHV-KFWWJZLASA-N 2 2 350.467 0.351 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085429590 842103382 /nfs/dbraw/zinc/10/33/82/842103382.db2.gz YNCICQSNHTYJFR-OAGGEKHMSA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085429590 842103392 /nfs/dbraw/zinc/10/33/92/842103392.db2.gz YNCICQSNHTYJFR-OAGGEKHMSA-N 2 2 350.467 0.053 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086400642 842130265 /nfs/dbraw/zinc/13/02/65/842130265.db2.gz QGYCBZRGNPUGHU-WPLOAARJSA-N 2 2 353.492 0.803 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086400642 842130271 /nfs/dbraw/zinc/13/02/71/842130271.db2.gz QGYCBZRGNPUGHU-WPLOAARJSA-N 2 2 353.492 0.803 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001086400438 842130292 /nfs/dbraw/zinc/13/02/92/842130292.db2.gz HESHSEXIVQDKPD-RAEVTNRLSA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001086400438 842130296 /nfs/dbraw/zinc/13/02/96/842130296.db2.gz HESHSEXIVQDKPD-RAEVTNRLSA-N 2 2 350.463 0.995 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001086400275 842130633 /nfs/dbraw/zinc/13/06/33/842130633.db2.gz ANRUPGSWDRVQNU-BRXULGCHSA-N 2 2 369.897 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001086400275 842130640 /nfs/dbraw/zinc/13/06/40/842130640.db2.gz ANRUPGSWDRVQNU-BRXULGCHSA-N 2 2 369.897 0.777 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnsn3)C2)O1 ZINC001086731317 842161293 /nfs/dbraw/zinc/16/12/93/842161293.db2.gz GLTOQZWSTWAFEW-QVHKTLOISA-N 2 2 353.492 0.632 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnsn3)C2)O1 ZINC001086731317 842161301 /nfs/dbraw/zinc/16/13/01/842161301.db2.gz GLTOQZWSTWAFEW-QVHKTLOISA-N 2 2 353.492 0.632 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC001087141365 842299828 /nfs/dbraw/zinc/29/98/28/842299828.db2.gz KBXLRGUCYLZMAS-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC001087141365 842299840 /nfs/dbraw/zinc/29/98/40/842299840.db2.gz KBXLRGUCYLZMAS-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141508 842299996 /nfs/dbraw/zinc/29/99/96/842299996.db2.gz OHJIALXQAOTTSV-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141508 842299999 /nfs/dbraw/zinc/29/99/99/842299999.db2.gz OHJIALXQAOTTSV-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cc(O)ccc3F)C2)OCC1=O ZINC001276062206 861306933 /nfs/dbraw/zinc/30/69/33/861306933.db2.gz STZBZNXWVGMHRG-GOSISDBHSA-N 2 2 351.422 0.896 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc(O)ccc3F)C2)OCC1=O ZINC001276062206 861306952 /nfs/dbraw/zinc/30/69/52/861306952.db2.gz STZBZNXWVGMHRG-GOSISDBHSA-N 2 2 351.422 0.896 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001088494226 842586505 /nfs/dbraw/zinc/58/65/05/842586505.db2.gz QWTYPFGRYJNERZ-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001088494226 842586513 /nfs/dbraw/zinc/58/65/13/842586513.db2.gz QWTYPFGRYJNERZ-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001088494226 842586518 /nfs/dbraw/zinc/58/65/18/842586518.db2.gz QWTYPFGRYJNERZ-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001088494226 842586522 /nfs/dbraw/zinc/58/65/22/842586522.db2.gz QWTYPFGRYJNERZ-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088666882 842646137 /nfs/dbraw/zinc/64/61/37/842646137.db2.gz SZLHANZKSLNZGX-QLFBSQMISA-N 2 2 350.463 0.199 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088666882 842646142 /nfs/dbraw/zinc/64/61/42/842646142.db2.gz SZLHANZKSLNZGX-QLFBSQMISA-N 2 2 350.463 0.199 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088666882 842646149 /nfs/dbraw/zinc/64/61/49/842646149.db2.gz SZLHANZKSLNZGX-QLFBSQMISA-N 2 2 350.463 0.199 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088666882 842646154 /nfs/dbraw/zinc/64/61/54/842646154.db2.gz SZLHANZKSLNZGX-QLFBSQMISA-N 2 2 350.463 0.199 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CCS(C)(=O)=O ZINC001088971678 842731607 /nfs/dbraw/zinc/73/16/07/842731607.db2.gz YMWONJJXVDPZMF-PBHICJAKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[N@H+]1CCS(C)(=O)=O ZINC001088971678 842731616 /nfs/dbraw/zinc/73/16/16/842731616.db2.gz YMWONJJXVDPZMF-PBHICJAKSA-N 2 2 371.547 0.732 20 0 FCADLP CSc1ncc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001276205695 861353222 /nfs/dbraw/zinc/35/32/22/861353222.db2.gz ZHUSZLCFQXFOQI-KRWDZBQOSA-N 2 2 365.503 0.563 20 0 FCADLP CCc1cnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091096035 842960585 /nfs/dbraw/zinc/96/05/85/842960585.db2.gz KFAOGEPNWFZKCN-UWLZSVRSSA-N 2 2 350.463 0.941 20 0 FCADLP CCc1cnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091096035 842960597 /nfs/dbraw/zinc/96/05/97/842960597.db2.gz KFAOGEPNWFZKCN-UWLZSVRSSA-N 2 2 350.463 0.941 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565266 843040181 /nfs/dbraw/zinc/04/01/81/843040181.db2.gz JBLWHOFFTMJUGO-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565266 843040192 /nfs/dbraw/zinc/04/01/92/843040192.db2.gz JBLWHOFFTMJUGO-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565266 843040203 /nfs/dbraw/zinc/04/02/03/843040203.db2.gz JBLWHOFFTMJUGO-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565266 843040212 /nfs/dbraw/zinc/04/02/12/843040212.db2.gz JBLWHOFFTMJUGO-KMFMINBZSA-N 2 2 350.488 0.754 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713336 843079386 /nfs/dbraw/zinc/07/93/86/843079386.db2.gz UHUPGFMJFSCQPM-KDOFPFPSSA-N 2 2 364.515 0.950 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713336 843079398 /nfs/dbraw/zinc/07/93/98/843079398.db2.gz UHUPGFMJFSCQPM-KDOFPFPSSA-N 2 2 364.515 0.950 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001091883421 843120387 /nfs/dbraw/zinc/12/03/87/843120387.db2.gz IYVNDLGVHBPALP-LMMKCTJWSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091883421 843120391 /nfs/dbraw/zinc/12/03/91/843120391.db2.gz IYVNDLGVHBPALP-LMMKCTJWSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091883421 843120395 /nfs/dbraw/zinc/12/03/95/843120395.db2.gz IYVNDLGVHBPALP-LMMKCTJWSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091883421 843120401 /nfs/dbraw/zinc/12/04/01/843120401.db2.gz IYVNDLGVHBPALP-LMMKCTJWSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092503580 843222673 /nfs/dbraw/zinc/22/26/73/843222673.db2.gz AGVJTTMEXQATJV-MCIONIFRSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092503580 843222682 /nfs/dbraw/zinc/22/26/82/843222682.db2.gz AGVJTTMEXQATJV-MCIONIFRSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092503580 843222690 /nfs/dbraw/zinc/22/26/90/843222690.db2.gz AGVJTTMEXQATJV-MCIONIFRSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092503580 843222698 /nfs/dbraw/zinc/22/26/98/843222698.db2.gz AGVJTTMEXQATJV-MCIONIFRSA-N 2 2 365.503 0.860 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)s1 ZINC001092724692 843285676 /nfs/dbraw/zinc/28/56/76/843285676.db2.gz SOIODAZMYGWYDA-QHSBEEBCSA-N 2 2 367.519 0.750 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)s1 ZINC001092724692 843285687 /nfs/dbraw/zinc/28/56/87/843285687.db2.gz SOIODAZMYGWYDA-QHSBEEBCSA-N 2 2 367.519 0.750 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)s1 ZINC001092724692 843285697 /nfs/dbraw/zinc/28/56/97/843285697.db2.gz SOIODAZMYGWYDA-QHSBEEBCSA-N 2 2 367.519 0.750 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)s1 ZINC001092724692 843285705 /nfs/dbraw/zinc/28/57/05/843285705.db2.gz SOIODAZMYGWYDA-QHSBEEBCSA-N 2 2 367.519 0.750 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450863 843434996 /nfs/dbraw/zinc/43/49/96/843434996.db2.gz YHAFNNJDDBGVQF-AHCXZYCDSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450863 843435003 /nfs/dbraw/zinc/43/50/03/843435003.db2.gz YHAFNNJDDBGVQF-AHCXZYCDSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454198 843436142 /nfs/dbraw/zinc/43/61/42/843436142.db2.gz AAHFUFRVDZRRTL-AHCXZYCDSA-N 2 2 350.463 0.232 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001093691420 843457064 /nfs/dbraw/zinc/45/70/64/843457064.db2.gz UTMOASUQZVOHBL-XPKDYRNWSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001093691420 843457070 /nfs/dbraw/zinc/45/70/70/843457070.db2.gz UTMOASUQZVOHBL-XPKDYRNWSA-N 2 2 352.504 0.966 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691148 843457428 /nfs/dbraw/zinc/45/74/28/843457428.db2.gz KJHUMXRHJVKJSG-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691148 843457434 /nfs/dbraw/zinc/45/74/34/843457434.db2.gz KJHUMXRHJVKJSG-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093951315 843495510 /nfs/dbraw/zinc/49/55/10/843495510.db2.gz GVJWFCQVQAEUPH-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860500 843888387 /nfs/dbraw/zinc/88/83/87/843888387.db2.gz MJMZVJQTZYJSCH-JJXSEGSLSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860500 843888394 /nfs/dbraw/zinc/88/83/94/843888394.db2.gz MJMZVJQTZYJSCH-JJXSEGSLSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001097860500 843888400 /nfs/dbraw/zinc/88/84/00/843888400.db2.gz MJMZVJQTZYJSCH-JJXSEGSLSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001097860500 843888408 /nfs/dbraw/zinc/88/84/08/843888408.db2.gz MJMZVJQTZYJSCH-JJXSEGSLSA-N 2 2 350.507 0.917 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C(F)(F)F)n1 ZINC001099223497 843979627 /nfs/dbraw/zinc/97/96/27/843979627.db2.gz RKGSMMVDPAXPAS-MCIONIFRSA-N 2 2 359.396 0.993 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C(F)(F)F)n1 ZINC001099223497 843979628 /nfs/dbraw/zinc/97/96/28/843979628.db2.gz RKGSMMVDPAXPAS-MCIONIFRSA-N 2 2 359.396 0.993 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1)[NH+](C)C ZINC001099268562 843997996 /nfs/dbraw/zinc/99/79/96/843997996.db2.gz FBDLILMRAUHAQK-IJLUTSLNSA-N 2 2 362.400 0.634 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099287911 844005832 /nfs/dbraw/zinc/00/58/32/844005832.db2.gz UDEZDTPULIEWSD-GRYCIOLGSA-N 2 2 361.368 0.516 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103156717 844711606 /nfs/dbraw/zinc/71/16/06/844711606.db2.gz SOENBQVBJXVUET-ZIAGYGMSSA-N 2 2 351.499 0.515 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103156717 844711608 /nfs/dbraw/zinc/71/16/08/844711608.db2.gz SOENBQVBJXVUET-ZIAGYGMSSA-N 2 2 351.499 0.515 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103156717 844711614 /nfs/dbraw/zinc/71/16/14/844711614.db2.gz SOENBQVBJXVUET-ZIAGYGMSSA-N 2 2 351.499 0.515 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103156717 844711616 /nfs/dbraw/zinc/71/16/16/844711616.db2.gz SOENBQVBJXVUET-ZIAGYGMSSA-N 2 2 351.499 0.515 20 0 FCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001103271391 844729602 /nfs/dbraw/zinc/72/96/02/844729602.db2.gz MIPVUFOUNXJVNI-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001103271391 844729611 /nfs/dbraw/zinc/72/96/11/844729611.db2.gz MIPVUFOUNXJVNI-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001103271391 844729616 /nfs/dbraw/zinc/72/96/16/844729616.db2.gz MIPVUFOUNXJVNI-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001103271391 844729622 /nfs/dbraw/zinc/72/96/22/844729622.db2.gz MIPVUFOUNXJVNI-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001103486714 844765638 /nfs/dbraw/zinc/76/56/38/844765638.db2.gz UDBIRIQXGSOEKN-IAGOWNOFSA-N 2 2 353.507 0.698 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001103486714 844765647 /nfs/dbraw/zinc/76/56/47/844765647.db2.gz UDBIRIQXGSOEKN-IAGOWNOFSA-N 2 2 353.507 0.698 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574383 844782943 /nfs/dbraw/zinc/78/29/43/844782943.db2.gz MXJQUNLNVBNEIN-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574383 844782950 /nfs/dbraw/zinc/78/29/50/844782950.db2.gz MXJQUNLNVBNEIN-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610408 861497324 /nfs/dbraw/zinc/49/73/24/861497324.db2.gz QKEPRBBSPLGFAT-KDOFPFPSSA-N 2 2 353.463 0.731 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610408 861497330 /nfs/dbraw/zinc/49/73/30/861497330.db2.gz QKEPRBBSPLGFAT-KDOFPFPSSA-N 2 2 353.463 0.731 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)C[NH+]1CCc2sccc2C1 ZINC001103748678 844814966 /nfs/dbraw/zinc/81/49/66/844814966.db2.gz LJWMOTBBZKRKSE-ZIAGYGMSSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C[NH+]1CCc2sccc2C1 ZINC001103748678 844814972 /nfs/dbraw/zinc/81/49/72/844814972.db2.gz LJWMOTBBZKRKSE-ZIAGYGMSSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001103748678 844814979 /nfs/dbraw/zinc/81/49/79/844814979.db2.gz LJWMOTBBZKRKSE-ZIAGYGMSSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001103748678 844814983 /nfs/dbraw/zinc/81/49/83/844814983.db2.gz LJWMOTBBZKRKSE-ZIAGYGMSSA-N 2 2 364.515 0.666 20 0 FCADLP CC(C)=CCN1C(=O)COCC12C[NH+](CCCN1CC[NH+](C)CC1)C2 ZINC001276629920 861505056 /nfs/dbraw/zinc/50/50/56/861505056.db2.gz DQVLAMFNTNPWNE-UHFFFAOYSA-N 2 2 350.507 0.503 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033883 844856215 /nfs/dbraw/zinc/85/62/15/844856215.db2.gz KCBMTQCFVPWXAQ-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033883 844856222 /nfs/dbraw/zinc/85/62/22/844856222.db2.gz KCBMTQCFVPWXAQ-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1csnn1 ZINC001104033984 844856314 /nfs/dbraw/zinc/85/63/14/844856314.db2.gz NTXOHXXUVZYDAH-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1csnn1 ZINC001104033984 844856321 /nfs/dbraw/zinc/85/63/21/844856321.db2.gz NTXOHXXUVZYDAH-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1CC[NH2+]CCO ZINC001104577486 844922306 /nfs/dbraw/zinc/92/23/06/844922306.db2.gz PUQUCIXETSFYTJ-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1CC[NH2+]CCO ZINC001104577486 844922313 /nfs/dbraw/zinc/92/23/13/844922313.db2.gz PUQUCIXETSFYTJ-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccon3)C2)C1 ZINC001105041686 844973556 /nfs/dbraw/zinc/97/35/56/844973556.db2.gz HHEKTLKKCMEUHM-INMHGKMJSA-N 2 2 350.463 0.970 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccon3)C2)C1 ZINC001105041686 844973561 /nfs/dbraw/zinc/97/35/61/844973561.db2.gz HHEKTLKKCMEUHM-INMHGKMJSA-N 2 2 350.463 0.970 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1CC[NH2+]CCCO ZINC001105041738 844974267 /nfs/dbraw/zinc/97/42/67/844974267.db2.gz IKOPZVVHXQSTEA-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001106226086 845139701 /nfs/dbraw/zinc/13/97/01/845139701.db2.gz PZXOFUAGFSDFJK-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001106226086 845139708 /nfs/dbraw/zinc/13/97/08/845139708.db2.gz PZXOFUAGFSDFJK-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106317676 845153035 /nfs/dbraw/zinc/15/30/35/845153035.db2.gz NPDQFVXWGIJPLG-TZMCWYRMSA-N 2 2 364.471 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106498683 845186479 /nfs/dbraw/zinc/18/64/79/845186479.db2.gz KLSOGBMXANRSLH-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP COC[C@@H](C(=O)OC)[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276727745 861557346 /nfs/dbraw/zinc/55/73/46/861557346.db2.gz SJUJMTOTSHOZAK-YOEHRIQHSA-N 2 2 350.419 0.033 20 0 FCADLP COC[C@@H](C(=O)OC)[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276727745 861557355 /nfs/dbraw/zinc/55/73/55/861557355.db2.gz SJUJMTOTSHOZAK-YOEHRIQHSA-N 2 2 350.419 0.033 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491869 845383459 /nfs/dbraw/zinc/38/34/59/845383459.db2.gz OBJTZBVRDAJBNL-LZLYRXPVSA-N 2 2 350.463 0.641 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491869 845383467 /nfs/dbraw/zinc/38/34/67/845383467.db2.gz OBJTZBVRDAJBNL-LZLYRXPVSA-N 2 2 350.463 0.641 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCC(F)F)CCO2)CC[N@@H+]1C ZINC001107952871 845418969 /nfs/dbraw/zinc/41/89/69/845418969.db2.gz MOAOTUJEEJGSGT-CKEIUWERSA-N 2 2 363.449 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCOCC(F)F)CCO2)CC[N@H+]1C ZINC001107952871 845418973 /nfs/dbraw/zinc/41/89/73/845418973.db2.gz MOAOTUJEEJGSGT-CKEIUWERSA-N 2 2 363.449 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](CCOCC(F)F)CCO2)CC[NH+]1C ZINC001107952871 845418976 /nfs/dbraw/zinc/41/89/76/845418976.db2.gz MOAOTUJEEJGSGT-CKEIUWERSA-N 2 2 363.449 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCOCC(F)F)CCO2)CC[NH+]1C ZINC001107952871 845418979 /nfs/dbraw/zinc/41/89/79/845418979.db2.gz MOAOTUJEEJGSGT-CKEIUWERSA-N 2 2 363.449 0.815 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109067655 845559656 /nfs/dbraw/zinc/55/96/56/845559656.db2.gz HUKQGWHIWVQIHV-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109067655 845559665 /nfs/dbraw/zinc/55/96/65/845559665.db2.gz HUKQGWHIWVQIHV-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001109067655 845559672 /nfs/dbraw/zinc/55/96/72/845559672.db2.gz HUKQGWHIWVQIHV-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001109067655 845559680 /nfs/dbraw/zinc/55/96/80/845559680.db2.gz HUKQGWHIWVQIHV-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758957 861585525 /nfs/dbraw/zinc/58/55/25/861585525.db2.gz XTXXMSDIBUVGMR-KSSFIOAISA-N 2 2 350.463 0.186 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758957 861585532 /nfs/dbraw/zinc/58/55/32/861585532.db2.gz XTXXMSDIBUVGMR-KSSFIOAISA-N 2 2 350.463 0.186 20 0 FCADLP COC(CN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2)OC ZINC001276756985 861585786 /nfs/dbraw/zinc/58/57/86/861585786.db2.gz KWDYEHJRRFDCQZ-SFHVURJKSA-N 2 2 355.479 0.250 20 0 FCADLP COC(CN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2)OC ZINC001276756985 861585797 /nfs/dbraw/zinc/58/57/97/861585797.db2.gz KWDYEHJRRFDCQZ-SFHVURJKSA-N 2 2 355.479 0.250 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)CC1 ZINC001276765196 861590190 /nfs/dbraw/zinc/59/01/90/861590190.db2.gz ORBLHABBBBRZRQ-KRWDZBQOSA-N 2 2 358.433 0.483 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)CC1 ZINC001276765196 861590195 /nfs/dbraw/zinc/59/01/95/861590195.db2.gz ORBLHABBBBRZRQ-KRWDZBQOSA-N 2 2 358.433 0.483 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001109526928 845681189 /nfs/dbraw/zinc/68/11/89/845681189.db2.gz GBNPTMUCKVBZJV-OJLVUWQFSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001109526928 845681201 /nfs/dbraw/zinc/68/12/01/845681201.db2.gz GBNPTMUCKVBZJV-OJLVUWQFSA-N 2 2 368.503 0.594 20 0 FCADLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001109589864 845694217 /nfs/dbraw/zinc/69/42/17/845694217.db2.gz HPERWPZTUHWEAD-ILXRZTDVSA-N 2 2 372.535 0.132 20 0 FCADLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001109589864 845694222 /nfs/dbraw/zinc/69/42/22/845694222.db2.gz HPERWPZTUHWEAD-ILXRZTDVSA-N 2 2 372.535 0.132 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109653402 845705563 /nfs/dbraw/zinc/70/55/63/845705563.db2.gz UNFHYSWWYCVZMN-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109653402 845705570 /nfs/dbraw/zinc/70/55/70/845705570.db2.gz UNFHYSWWYCVZMN-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001109718380 845719925 /nfs/dbraw/zinc/71/99/25/845719925.db2.gz FRCKRNNRMSOMAS-FZKCQIBNSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001109718380 845719933 /nfs/dbraw/zinc/71/99/33/845719933.db2.gz FRCKRNNRMSOMAS-FZKCQIBNSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001109718380 845719941 /nfs/dbraw/zinc/71/99/41/845719941.db2.gz FRCKRNNRMSOMAS-FZKCQIBNSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001109718380 845719943 /nfs/dbraw/zinc/71/99/43/845719943.db2.gz FRCKRNNRMSOMAS-FZKCQIBNSA-N 2 2 372.535 0.084 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976005 845769851 /nfs/dbraw/zinc/76/98/51/845769851.db2.gz NGNQYIGYIRXIFN-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976005 845769857 /nfs/dbraw/zinc/76/98/57/845769857.db2.gz NGNQYIGYIRXIFN-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109976005 845769864 /nfs/dbraw/zinc/76/98/64/845769864.db2.gz NGNQYIGYIRXIFN-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109976005 845769873 /nfs/dbraw/zinc/76/98/73/845769873.db2.gz NGNQYIGYIRXIFN-NCOADZHNSA-N 2 2 371.547 0.875 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101648 845790018 /nfs/dbraw/zinc/79/00/18/845790018.db2.gz XZXWJBGKRRIFAY-WCVJEAGWSA-N 2 2 369.531 0.484 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101648 845790022 /nfs/dbraw/zinc/79/00/22/845790022.db2.gz XZXWJBGKRRIFAY-WCVJEAGWSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101648 845790025 /nfs/dbraw/zinc/79/00/25/845790025.db2.gz XZXWJBGKRRIFAY-WCVJEAGWSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001110101648 845790029 /nfs/dbraw/zinc/79/00/29/845790029.db2.gz XZXWJBGKRRIFAY-WCVJEAGWSA-N 2 2 369.531 0.484 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110104246 845791654 /nfs/dbraw/zinc/79/16/54/845791654.db2.gz MFQYMHLYACRZRX-UKMLZYKCSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110104246 845791663 /nfs/dbraw/zinc/79/16/63/845791663.db2.gz MFQYMHLYACRZRX-UKMLZYKCSA-N 2 2 368.503 0.594 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)C1 ZINC001110126016 845801174 /nfs/dbraw/zinc/80/11/74/845801174.db2.gz DKWSNUVASIHKIB-CBBWQLFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)C1 ZINC001110126016 845801178 /nfs/dbraw/zinc/80/11/78/845801178.db2.gz DKWSNUVASIHKIB-CBBWQLFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(F)F)C1 ZINC001110126016 845801182 /nfs/dbraw/zinc/80/11/82/845801182.db2.gz DKWSNUVASIHKIB-CBBWQLFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC(F)F)C1 ZINC001110126016 845801184 /nfs/dbraw/zinc/80/11/84/845801184.db2.gz DKWSNUVASIHKIB-CBBWQLFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001110156968 845807986 /nfs/dbraw/zinc/80/79/86/845807986.db2.gz HZJSAPRZFLIEAT-SIXLDLHFSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001110156968 845807988 /nfs/dbraw/zinc/80/79/88/845807988.db2.gz HZJSAPRZFLIEAT-SIXLDLHFSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110156968 845807993 /nfs/dbraw/zinc/80/79/93/845807993.db2.gz HZJSAPRZFLIEAT-SIXLDLHFSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110156968 845807997 /nfs/dbraw/zinc/80/79/97/845807997.db2.gz HZJSAPRZFLIEAT-SIXLDLHFSA-N 2 2 350.507 0.963 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794586 861611565 /nfs/dbraw/zinc/61/15/65/861611565.db2.gz NTBLUAYUZISEMT-KBUPBQIOSA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794586 861611577 /nfs/dbraw/zinc/61/15/77/861611577.db2.gz NTBLUAYUZISEMT-KBUPBQIOSA-N 2 2 354.495 0.065 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001110961602 846001872 /nfs/dbraw/zinc/00/18/72/846001872.db2.gz AUNZSBFZWGSHJU-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001110961602 846001881 /nfs/dbraw/zinc/00/18/81/846001881.db2.gz AUNZSBFZWGSHJU-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021188 846017482 /nfs/dbraw/zinc/01/74/82/846017482.db2.gz PHBRXQAHGNJKKF-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021188 846017487 /nfs/dbraw/zinc/01/74/87/846017487.db2.gz PHBRXQAHGNJKKF-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021188 846017492 /nfs/dbraw/zinc/01/74/92/846017492.db2.gz PHBRXQAHGNJKKF-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111021188 846017498 /nfs/dbraw/zinc/01/74/98/846017498.db2.gz PHBRXQAHGNJKKF-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111169122 846053964 /nfs/dbraw/zinc/05/39/64/846053964.db2.gz CSKGAWMHHIMOMP-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111169122 846053970 /nfs/dbraw/zinc/05/39/70/846053970.db2.gz CSKGAWMHHIMOMP-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CC(F)(F)F ZINC001111274501 846074957 /nfs/dbraw/zinc/07/49/57/846074957.db2.gz FRJFXWTXZXRBEI-ZRJCITRHSA-N 2 2 360.380 0.997 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CC(F)(F)F ZINC001111274501 846074963 /nfs/dbraw/zinc/07/49/63/846074963.db2.gz FRJFXWTXZXRBEI-ZRJCITRHSA-N 2 2 360.380 0.997 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658585 846168846 /nfs/dbraw/zinc/16/88/46/846168846.db2.gz GWVXLQRQKAFCEB-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658585 846168851 /nfs/dbraw/zinc/16/88/51/846168851.db2.gz GWVXLQRQKAFCEB-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658585 846168857 /nfs/dbraw/zinc/16/88/57/846168857.db2.gz GWVXLQRQKAFCEB-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658585 846168862 /nfs/dbraw/zinc/16/88/62/846168862.db2.gz GWVXLQRQKAFCEB-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001112021461 846299416 /nfs/dbraw/zinc/29/94/16/846299416.db2.gz OQUSDNYQRFHBAO-VYDXJSESSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001112021461 846299431 /nfs/dbraw/zinc/29/94/31/846299431.db2.gz OQUSDNYQRFHBAO-VYDXJSESSA-N 2 2 368.503 0.535 20 0 FCADLP COC(=O)CC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276882510 861666001 /nfs/dbraw/zinc/66/60/01/861666001.db2.gz NHTURFZLBYZKRU-QGZVFWFLSA-N 2 2 350.419 0.034 20 0 FCADLP COC(=O)CC[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276882510 861666012 /nfs/dbraw/zinc/66/60/12/861666012.db2.gz NHTURFZLBYZKRU-QGZVFWFLSA-N 2 2 350.419 0.034 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141134 846412603 /nfs/dbraw/zinc/41/26/03/846412603.db2.gz LIWZDYHXLWTZBF-VXGBXAGGSA-N 2 2 361.368 0.388 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112199294 846456931 /nfs/dbraw/zinc/45/69/31/846456931.db2.gz PXVQZDQVKHVMAC-DGCLKSJQSA-N 2 2 364.368 0.248 20 0 FCADLP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386919 846499746 /nfs/dbraw/zinc/49/97/46/846499746.db2.gz SPUZCPIBCKKHDV-YOEHRIQHSA-N 2 2 368.503 0.605 20 0 FCADLP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386919 846499751 /nfs/dbraw/zinc/49/97/51/846499751.db2.gz SPUZCPIBCKKHDV-YOEHRIQHSA-N 2 2 368.503 0.605 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112386694 846500056 /nfs/dbraw/zinc/50/00/56/846500056.db2.gz HXBRQSYVIHJIHU-YJBOKZPZSA-N 2 2 350.463 0.570 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112386694 846500063 /nfs/dbraw/zinc/50/00/63/846500063.db2.gz HXBRQSYVIHJIHU-YJBOKZPZSA-N 2 2 350.463 0.570 20 0 FCADLP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580562 846562781 /nfs/dbraw/zinc/56/27/81/846562781.db2.gz AGLWRMAJHPUMRT-RBSFLKMASA-N 2 2 350.463 0.929 20 0 FCADLP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580562 846562788 /nfs/dbraw/zinc/56/27/88/846562788.db2.gz AGLWRMAJHPUMRT-RBSFLKMASA-N 2 2 350.463 0.929 20 0 FCADLP CCOCCS(=O)(=O)NCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116258924 846642563 /nfs/dbraw/zinc/64/25/63/846642563.db2.gz NOBURTSYTZCUQT-UHFFFAOYSA-N 2 2 367.431 0.470 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(O)CCOCC3)CC2)CC1 ZINC001116677058 846734818 /nfs/dbraw/zinc/73/48/18/846734818.db2.gz NQYZVBBWUZAZBH-UHFFFAOYSA-N 2 2 354.495 0.386 20 0 FCADLP c1nc(C2OCCO2)sc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001117578121 847090394 /nfs/dbraw/zinc/09/03/94/847090394.db2.gz LRMGHRCLZGDNJW-AWEZNQCLSA-N 2 2 368.503 0.685 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020414 848058961 /nfs/dbraw/zinc/05/89/61/848058961.db2.gz RZQCJRDDWJUBPQ-NVXWUHKLSA-N 2 2 356.536 0.835 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020414 848058966 /nfs/dbraw/zinc/05/89/66/848058966.db2.gz RZQCJRDDWJUBPQ-NVXWUHKLSA-N 2 2 356.536 0.835 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC001123475485 848595926 /nfs/dbraw/zinc/59/59/26/848595926.db2.gz ISJIHJFOXUNYML-ZACQAIPSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC001123475485 848595931 /nfs/dbraw/zinc/59/59/31/848595931.db2.gz ISJIHJFOXUNYML-ZACQAIPSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001123475485 848595932 /nfs/dbraw/zinc/59/59/32/848595932.db2.gz ISJIHJFOXUNYML-ZACQAIPSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001123475485 848595934 /nfs/dbraw/zinc/59/59/34/848595934.db2.gz ISJIHJFOXUNYML-ZACQAIPSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[NH+]2C)C1 ZINC001123475485 848595938 /nfs/dbraw/zinc/59/59/38/848595938.db2.gz ISJIHJFOXUNYML-ZACQAIPSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001123475485 848595939 /nfs/dbraw/zinc/59/59/39/848595939.db2.gz ISJIHJFOXUNYML-ZACQAIPSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001123475485 848595941 /nfs/dbraw/zinc/59/59/41/848595941.db2.gz ISJIHJFOXUNYML-ZACQAIPSSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830219 848778317 /nfs/dbraw/zinc/77/83/17/848778317.db2.gz OTHFFUXUQONXNK-PMPSAXMXSA-N 2 2 350.467 0.139 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830219 848778321 /nfs/dbraw/zinc/77/83/21/848778321.db2.gz OTHFFUXUQONXNK-PMPSAXMXSA-N 2 2 350.467 0.139 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830219 848778323 /nfs/dbraw/zinc/77/83/23/848778323.db2.gz OTHFFUXUQONXNK-PMPSAXMXSA-N 2 2 350.467 0.139 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830219 848778325 /nfs/dbraw/zinc/77/83/25/848778325.db2.gz OTHFFUXUQONXNK-PMPSAXMXSA-N 2 2 350.467 0.139 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2([NH+](C)C)CCC2)n[nH]1 ZINC001130216002 848977918 /nfs/dbraw/zinc/97/79/18/848977918.db2.gz LZCWMKMCDJBBKE-STQMWFEESA-N 2 2 350.467 0.387 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nncs1 ZINC001131067970 849075963 /nfs/dbraw/zinc/07/59/63/849075963.db2.gz FERNSYWELRPYJE-CHWSQXEVSA-N 2 2 363.491 0.308 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131572685 849125567 /nfs/dbraw/zinc/12/55/67/849125567.db2.gz LKBWVLIXOAOFTL-XCRHUMRWSA-N 2 2 350.463 0.973 20 0 FCADLP Cc1nocc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613901 849131198 /nfs/dbraw/zinc/13/11/98/849131198.db2.gz RJWNJIGNVADVCC-CVEARBPZSA-N 2 2 352.435 0.069 20 0 FCADLP COC(=O)CO[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139326380 849337314 /nfs/dbraw/zinc/33/73/14/849337314.db2.gz PMJYSGDGHAPVLK-ZDUSSCGKSA-N 2 2 354.476 0.659 20 0 FCADLP COC(=O)CO[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139326380 849337317 /nfs/dbraw/zinc/33/73/17/849337317.db2.gz PMJYSGDGHAPVLK-ZDUSSCGKSA-N 2 2 354.476 0.659 20 0 FCADLP OC[C@@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139760540 849346867 /nfs/dbraw/zinc/34/68/67/849346867.db2.gz RHBZOFRLKHENRT-PKOBYXMFSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139760540 849346877 /nfs/dbraw/zinc/34/68/77/849346877.db2.gz RHBZOFRLKHENRT-PKOBYXMFSA-N 2 2 350.459 0.573 20 0 FCADLP CCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733908 862046833 /nfs/dbraw/zinc/04/68/33/862046833.db2.gz HGORIIANLBPEQX-WMZOPIPTSA-N 2 2 350.463 0.738 20 0 FCADLP CCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733908 862046847 /nfs/dbraw/zinc/04/68/47/862046847.db2.gz HGORIIANLBPEQX-WMZOPIPTSA-N 2 2 350.463 0.738 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCc1[nH+]ccn1C ZINC001157423263 849970791 /nfs/dbraw/zinc/97/07/91/849970791.db2.gz QCXKIFVMLJOGES-YDHLFZDLSA-N 2 2 369.535 0.690 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001157916209 850005014 /nfs/dbraw/zinc/00/50/14/850005014.db2.gz OGDZJJPIWCMBHG-UHFFFAOYSA-N 2 2 354.480 0.706 20 0 FCADLP CC(C)(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160384 850098772 /nfs/dbraw/zinc/09/87/72/850098772.db2.gz JQTLUUMXDNZKMN-GPINWOSQSA-N 3 2 350.507 0.746 20 0 FCADLP O=C(NCCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326612 850166110 /nfs/dbraw/zinc/16/61/10/850166110.db2.gz OHGLUGQJRZXEIF-MGPQQGTHSA-N 2 2 354.476 0.434 20 0 FCADLP O=C(NCCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326612 850166113 /nfs/dbraw/zinc/16/61/13/850166113.db2.gz OHGLUGQJRZXEIF-MGPQQGTHSA-N 2 2 354.476 0.434 20 0 FCADLP [NH3+]C[C@]1(Nc2ncccc2S(=O)(=O)N2CCCC2)C[NH+]2CCC1CC2 ZINC001160513290 850178058 /nfs/dbraw/zinc/17/80/58/850178058.db2.gz MEOGNFWBIMZSHU-KRWDZBQOSA-N 2 2 365.503 0.701 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001161237557 850242106 /nfs/dbraw/zinc/24/21/06/850242106.db2.gz MHCXMNZJHNXNSV-INIZCTEOSA-N 2 2 350.850 0.681 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001161239196 850243460 /nfs/dbraw/zinc/24/34/60/850243460.db2.gz XVXVNJCGXBSBPK-LSDHHAIUSA-N 2 2 361.833 0.643 20 0 FCADLP CC(C)n1c[nH+]cc1CNc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001161563274 850271151 /nfs/dbraw/zinc/27/11/51/850271151.db2.gz WZQGTEVJTOVBHZ-UHFFFAOYSA-N 2 2 364.475 0.958 20 0 FCADLP C[C@@H]1CN(c2ccc(NS(=O)(=O)c3ccc(C[NH3+])cc3)nn2)CC[NH2+]1 ZINC001161746287 850280489 /nfs/dbraw/zinc/28/04/89/850280489.db2.gz ADCODCPJOMLDEU-GFCCVEGCSA-N 2 2 362.459 0.534 20 0 FCADLP Cc1noc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001165711256 850452702 /nfs/dbraw/zinc/45/27/02/850452702.db2.gz KVUNSIDAWOUQCO-TZMCWYRMSA-N 2 2 351.451 0.473 20 0 FCADLP Cc1noc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001165711256 850452707 /nfs/dbraw/zinc/45/27/07/850452707.db2.gz KVUNSIDAWOUQCO-TZMCWYRMSA-N 2 2 351.451 0.473 20 0 FCADLP O=C(NCCC1(C[NH2+]CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001166316061 850472238 /nfs/dbraw/zinc/47/22/38/850472238.db2.gz ZUQDYZDLJGFCKO-CVEARBPZSA-N 2 2 357.470 0.712 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1 ZINC001168735890 850592571 /nfs/dbraw/zinc/59/25/71/850592571.db2.gz VMIWKCVOFKNJPM-UHFFFAOYSA-N 2 2 354.480 0.752 20 0 FCADLP COCOc1cnc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1/C=C/[NH+](C)C ZINC001169131230 850606826 /nfs/dbraw/zinc/60/68/26/850606826.db2.gz VMQMCAFYUHYTNF-IHDARNGBSA-N 2 2 350.419 0.912 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(CC(=O)NC)n2)CC1 ZINC001171250332 850680523 /nfs/dbraw/zinc/68/05/23/850680523.db2.gz WRXOZQLBGUFVKE-UHFFFAOYSA-N 2 2 353.536 0.937 20 0 FCADLP COCC[N@H+]([C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C1CC[NH+](C)CC1 ZINC001173579853 850729982 /nfs/dbraw/zinc/72/99/82/850729982.db2.gz PQKSYAXEJLTOHW-MUJYYYPQSA-N 2 2 356.463 0.770 20 0 FCADLP COCC[N@@H+]([C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C1CC[NH+](C)CC1 ZINC001173579853 850729987 /nfs/dbraw/zinc/72/99/87/850729987.db2.gz PQKSYAXEJLTOHW-MUJYYYPQSA-N 2 2 356.463 0.770 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173748956 850735717 /nfs/dbraw/zinc/73/57/17/850735717.db2.gz WIZOBAZXZJDFSD-XUXIUFHCSA-N 2 2 351.455 0.693 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001178948791 850940633 /nfs/dbraw/zinc/94/06/33/850940633.db2.gz OSXYVBRHRDGDLA-CVEARBPZSA-N 2 2 363.531 0.813 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001180388157 851033958 /nfs/dbraw/zinc/03/39/58/851033958.db2.gz MPXUUBISHUEHNM-SFHVURJKSA-N 2 2 354.495 0.015 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001180388157 851033963 /nfs/dbraw/zinc/03/39/63/851033963.db2.gz MPXUUBISHUEHNM-SFHVURJKSA-N 2 2 354.495 0.015 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@]3(F)Cl)CC2)C1=O ZINC001181657830 851126218 /nfs/dbraw/zinc/12/62/18/851126218.db2.gz CRYXGULJBHBEJX-SUMWQHHRSA-N 2 2 374.888 0.608 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@]3(F)Cl)CC2)C1=O ZINC001181657830 851126226 /nfs/dbraw/zinc/12/62/26/851126226.db2.gz CRYXGULJBHBEJX-SUMWQHHRSA-N 2 2 374.888 0.608 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1([NH+](C)C)CC1 ZINC001182598059 851182806 /nfs/dbraw/zinc/18/28/06/851182806.db2.gz YFTPHVFVBVRHIG-RHSMWYFYSA-N 2 2 353.463 0.336 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1([NH+](C)C)CC1 ZINC001182598058 851183075 /nfs/dbraw/zinc/18/30/75/851183075.db2.gz YFTPHVFVBVRHIG-PBHICJAKSA-N 2 2 353.463 0.336 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001185749784 851386374 /nfs/dbraw/zinc/38/63/74/851386374.db2.gz MYLWIFZLSBYUJZ-MGPQQGTHSA-N 2 2 354.476 0.149 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188562057 851709543 /nfs/dbraw/zinc/70/95/43/851709543.db2.gz MQWBIDSYUYSGSH-JKSUJKDBSA-N 2 2 368.503 0.549 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188562057 851709559 /nfs/dbraw/zinc/70/95/59/851709559.db2.gz MQWBIDSYUYSGSH-JKSUJKDBSA-N 2 2 368.503 0.549 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117750 851754063 /nfs/dbraw/zinc/75/40/63/851754063.db2.gz LWQBHAHNHQTXJH-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117750 851754078 /nfs/dbraw/zinc/75/40/78/851754078.db2.gz LWQBHAHNHQTXJH-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117750 851754090 /nfs/dbraw/zinc/75/40/90/851754090.db2.gz LWQBHAHNHQTXJH-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117750 851754099 /nfs/dbraw/zinc/75/40/99/851754099.db2.gz LWQBHAHNHQTXJH-YESZJQIVSA-N 2 2 371.547 0.828 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21)[NH+](C)C ZINC001189151754 851759701 /nfs/dbraw/zinc/75/97/01/851759701.db2.gz QCQILXHKEZOMHA-HRCADAONSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21)[NH+](C)C ZINC001189151754 851759708 /nfs/dbraw/zinc/75/97/08/851759708.db2.gz QCQILXHKEZOMHA-HRCADAONSA-N 2 2 371.547 0.684 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001189788072 851825469 /nfs/dbraw/zinc/82/54/69/851825469.db2.gz RXLDZNZSLNNEQF-IACUBPJLSA-N 2 2 360.380 0.809 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001189788072 851825474 /nfs/dbraw/zinc/82/54/74/851825474.db2.gz RXLDZNZSLNNEQF-IACUBPJLSA-N 2 2 360.380 0.809 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001193446908 852427669 /nfs/dbraw/zinc/42/76/69/852427669.db2.gz CEKWHAXZSCSZCB-ARFHVFGLSA-N 2 2 355.458 0.070 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001193446908 852427676 /nfs/dbraw/zinc/42/76/76/852427676.db2.gz CEKWHAXZSCSZCB-ARFHVFGLSA-N 2 2 355.458 0.070 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001193620419 852462174 /nfs/dbraw/zinc/46/21/74/852462174.db2.gz YUZGXDYLFNYKOR-ZACQAIPSSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001193620419 852462177 /nfs/dbraw/zinc/46/21/77/852462177.db2.gz YUZGXDYLFNYKOR-ZACQAIPSSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001193620419 852462182 /nfs/dbraw/zinc/46/21/82/852462182.db2.gz YUZGXDYLFNYKOR-ZACQAIPSSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001193620419 852462186 /nfs/dbraw/zinc/46/21/86/852462186.db2.gz YUZGXDYLFNYKOR-ZACQAIPSSA-N 2 2 350.463 0.709 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193756444 852482742 /nfs/dbraw/zinc/48/27/42/852482742.db2.gz REZGHOVRYQBZBC-BZUAXINKSA-N 2 2 350.463 0.594 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001193756444 852482751 /nfs/dbraw/zinc/48/27/51/852482751.db2.gz REZGHOVRYQBZBC-BZUAXINKSA-N 2 2 350.463 0.594 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)s1 ZINC001193891992 852500998 /nfs/dbraw/zinc/50/09/98/852500998.db2.gz BQBJDJLFLPJXBC-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC001193891992 852501008 /nfs/dbraw/zinc/50/10/08/852501008.db2.gz BQBJDJLFLPJXBC-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC001193891992 852501015 /nfs/dbraw/zinc/50/10/15/852501015.db2.gz BQBJDJLFLPJXBC-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC001193891992 852501020 /nfs/dbraw/zinc/50/10/20/852501020.db2.gz BQBJDJLFLPJXBC-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193954554 852515794 /nfs/dbraw/zinc/51/57/94/852515794.db2.gz WMMCDJXEHFTXJC-INMHGKMJSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193954554 852515798 /nfs/dbraw/zinc/51/57/98/852515798.db2.gz WMMCDJXEHFTXJC-INMHGKMJSA-N 2 2 350.463 0.338 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001194063208 852532304 /nfs/dbraw/zinc/53/23/04/852532304.db2.gz JINRQUYPDUHODG-HZPDHXFCSA-N 2 2 352.479 0.905 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001194063208 852532311 /nfs/dbraw/zinc/53/23/11/852532311.db2.gz JINRQUYPDUHODG-HZPDHXFCSA-N 2 2 352.479 0.905 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001194095630 852535654 /nfs/dbraw/zinc/53/56/54/852535654.db2.gz JFPLUXRELPWKGG-BRWVUGGUSA-N 2 2 353.438 0.320 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001194095630 852535657 /nfs/dbraw/zinc/53/56/57/852535657.db2.gz JFPLUXRELPWKGG-BRWVUGGUSA-N 2 2 353.438 0.320 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1O)[NH+](C)C ZINC001194102676 852537268 /nfs/dbraw/zinc/53/72/68/852537268.db2.gz LKVOFKVIGKKSNZ-BZUAXINKSA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1O)[NH+](C)C ZINC001194102676 852537270 /nfs/dbraw/zinc/53/72/70/852537270.db2.gz LKVOFKVIGKKSNZ-BZUAXINKSA-N 2 2 353.438 0.836 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265659 852569492 /nfs/dbraw/zinc/56/94/92/852569492.db2.gz VGGBKEAWWJGQSB-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194265659 852569493 /nfs/dbraw/zinc/56/94/93/852569493.db2.gz VGGBKEAWWJGQSB-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194265659 852569494 /nfs/dbraw/zinc/56/94/94/852569494.db2.gz VGGBKEAWWJGQSB-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321493 852578171 /nfs/dbraw/zinc/57/81/71/852578171.db2.gz YLLXGFWZSLXNNY-HZPDHXFCSA-N 2 2 354.451 0.326 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001194321493 852578181 /nfs/dbraw/zinc/57/81/81/852578181.db2.gz YLLXGFWZSLXNNY-HZPDHXFCSA-N 2 2 354.451 0.326 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744943 852643399 /nfs/dbraw/zinc/64/33/99/852643399.db2.gz FWYIGRPMEIBEAU-NVXWUHKLSA-N 2 2 350.463 0.350 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744943 852643402 /nfs/dbraw/zinc/64/34/02/852643402.db2.gz FWYIGRPMEIBEAU-NVXWUHKLSA-N 2 2 350.463 0.350 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001194908487 852669865 /nfs/dbraw/zinc/66/98/65/852669865.db2.gz CTRORRFRBBLHQB-HZPDHXFCSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001194908487 852669872 /nfs/dbraw/zinc/66/98/72/852669872.db2.gz CTRORRFRBBLHQB-HZPDHXFCSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001194909355 852670896 /nfs/dbraw/zinc/67/08/96/852670896.db2.gz NYBIFUKAZBLBSX-BZUAXINKSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001194909355 852670903 /nfs/dbraw/zinc/67/09/03/852670903.db2.gz NYBIFUKAZBLBSX-BZUAXINKSA-N 2 2 350.463 0.473 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997429 852689985 /nfs/dbraw/zinc/68/99/85/852689985.db2.gz QWINKCYWHPMDLE-BZUAXINKSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997429 852689994 /nfs/dbraw/zinc/68/99/94/852689994.db2.gz QWINKCYWHPMDLE-BZUAXINKSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997429 852689999 /nfs/dbraw/zinc/68/99/99/852689999.db2.gz QWINKCYWHPMDLE-BZUAXINKSA-N 2 2 354.495 0.066 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997429 852690006 /nfs/dbraw/zinc/69/00/06/852690006.db2.gz QWINKCYWHPMDLE-BZUAXINKSA-N 2 2 354.495 0.066 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)on1 ZINC001194997519 852690151 /nfs/dbraw/zinc/69/01/51/852690151.db2.gz RWTODFCJLVZFMZ-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)on1 ZINC001194997519 852690157 /nfs/dbraw/zinc/69/01/57/852690157.db2.gz RWTODFCJLVZFMZ-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)o1 ZINC001195006752 852692252 /nfs/dbraw/zinc/69/22/52/852692252.db2.gz PKFGSFOMANLQHZ-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)o1 ZINC001195006752 852692253 /nfs/dbraw/zinc/69/22/53/852692253.db2.gz PKFGSFOMANLQHZ-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195633477 852801836 /nfs/dbraw/zinc/80/18/36/852801836.db2.gz IPWRUVNPTGJULB-HZPDHXFCSA-N 2 2 353.463 0.789 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195633477 852801840 /nfs/dbraw/zinc/80/18/40/852801840.db2.gz IPWRUVNPTGJULB-HZPDHXFCSA-N 2 2 353.463 0.789 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893846 852843056 /nfs/dbraw/zinc/84/30/56/852843056.db2.gz KSBZXXZGZLZAQC-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893846 852843065 /nfs/dbraw/zinc/84/30/65/852843065.db2.gz KSBZXXZGZLZAQC-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893846 852843077 /nfs/dbraw/zinc/84/30/77/852843077.db2.gz KSBZXXZGZLZAQC-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893846 852843091 /nfs/dbraw/zinc/84/30/91/852843091.db2.gz KSBZXXZGZLZAQC-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196115219 852893238 /nfs/dbraw/zinc/89/32/38/852893238.db2.gz LKFRVMLSUYBQFU-OWCLPIDISA-N 2 2 356.511 0.135 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196115219 852893246 /nfs/dbraw/zinc/89/32/46/852893246.db2.gz LKFRVMLSUYBQFU-OWCLPIDISA-N 2 2 356.511 0.135 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185554 852907710 /nfs/dbraw/zinc/90/77/10/852907710.db2.gz ZCBLUAVPGFQUFL-HZPDHXFCSA-N 2 2 352.435 0.082 20 0 FCADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185554 852907714 /nfs/dbraw/zinc/90/77/14/852907714.db2.gz ZCBLUAVPGFQUFL-HZPDHXFCSA-N 2 2 352.435 0.082 20 0 FCADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185140 852907822 /nfs/dbraw/zinc/90/78/22/852907822.db2.gz QEADZKAAYHHJTP-HZPDHXFCSA-N 2 2 352.435 0.082 20 0 FCADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185140 852907826 /nfs/dbraw/zinc/90/78/26/852907826.db2.gz QEADZKAAYHHJTP-HZPDHXFCSA-N 2 2 352.435 0.082 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196267848 852928173 /nfs/dbraw/zinc/92/81/73/852928173.db2.gz HLHRGSHTNABPKJ-OWCLPIDISA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196267848 852928181 /nfs/dbraw/zinc/92/81/81/852928181.db2.gz HLHRGSHTNABPKJ-OWCLPIDISA-N 2 2 356.511 0.137 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001196276694 852929576 /nfs/dbraw/zinc/92/95/76/852929576.db2.gz SWWCDZHTZWKLLY-OWCLPIDISA-N 2 2 351.495 0.640 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001196276694 852929581 /nfs/dbraw/zinc/92/95/81/852929581.db2.gz SWWCDZHTZWKLLY-OWCLPIDISA-N 2 2 351.495 0.640 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308186 852934617 /nfs/dbraw/zinc/93/46/17/852934617.db2.gz YCDKVWVVJMGILG-FVQBIDKESA-N 2 2 368.503 0.305 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308186 852934628 /nfs/dbraw/zinc/93/46/28/852934628.db2.gz YCDKVWVVJMGILG-FVQBIDKESA-N 2 2 368.503 0.305 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049359 853052781 /nfs/dbraw/zinc/05/27/81/853052781.db2.gz MTINPTFUEXSRSN-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197049359 853052784 /nfs/dbraw/zinc/05/27/84/853052784.db2.gz MTINPTFUEXSRSN-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001197050133 853052854 /nfs/dbraw/zinc/05/28/54/853052854.db2.gz XYRDNZFALFLLIB-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001197050133 853052857 /nfs/dbraw/zinc/05/28/57/853052857.db2.gz XYRDNZFALFLLIB-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)s1 ZINC001197255001 853090291 /nfs/dbraw/zinc/09/02/91/853090291.db2.gz STUHMZFJKXLRRH-HZPDHXFCSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)s1 ZINC001197255001 853090297 /nfs/dbraw/zinc/09/02/97/853090297.db2.gz STUHMZFJKXLRRH-HZPDHXFCSA-N 2 2 368.503 0.224 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493011 853123461 /nfs/dbraw/zinc/12/34/61/853123461.db2.gz CRDMWTLFDUZODK-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493011 853123464 /nfs/dbraw/zinc/12/34/64/853123464.db2.gz CRDMWTLFDUZODK-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493011 853123465 /nfs/dbraw/zinc/12/34/65/853123465.db2.gz CRDMWTLFDUZODK-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001197493011 853123468 /nfs/dbraw/zinc/12/34/68/853123468.db2.gz CRDMWTLFDUZODK-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776100 853160713 /nfs/dbraw/zinc/16/07/13/853160713.db2.gz REBIPDDJJKCGGS-YNEHKIRRSA-N 2 2 353.385 0.068 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776100 853160719 /nfs/dbraw/zinc/16/07/19/853160719.db2.gz REBIPDDJJKCGGS-YNEHKIRRSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776100 853160726 /nfs/dbraw/zinc/16/07/26/853160726.db2.gz REBIPDDJJKCGGS-YNEHKIRRSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)C1 ZINC001197776100 853160728 /nfs/dbraw/zinc/16/07/28/853160728.db2.gz REBIPDDJJKCGGS-YNEHKIRRSA-N 2 2 353.385 0.068 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198048405 853210576 /nfs/dbraw/zinc/21/05/76/853210576.db2.gz TXVHLKPZSZQQNL-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198048405 853210587 /nfs/dbraw/zinc/21/05/87/853210587.db2.gz TXVHLKPZSZQQNL-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198048405 853210600 /nfs/dbraw/zinc/21/06/00/853210600.db2.gz TXVHLKPZSZQQNL-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198048405 853210612 /nfs/dbraw/zinc/21/06/12/853210612.db2.gz TXVHLKPZSZQQNL-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001199071400 853363847 /nfs/dbraw/zinc/36/38/47/853363847.db2.gz UUYYSCLERSJBRL-HZPDHXFCSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)o1 ZINC001199071400 853363858 /nfs/dbraw/zinc/36/38/58/853363858.db2.gz UUYYSCLERSJBRL-HZPDHXFCSA-N 2 2 350.463 0.829 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199104682 853371655 /nfs/dbraw/zinc/37/16/55/853371655.db2.gz RUVVGIKKGKFAQA-HZPDHXFCSA-N 2 2 356.511 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199104682 853371666 /nfs/dbraw/zinc/37/16/66/853371666.db2.gz RUVVGIKKGKFAQA-HZPDHXFCSA-N 2 2 356.511 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1)C(C)C ZINC001199104682 853371673 /nfs/dbraw/zinc/37/16/73/853371673.db2.gz RUVVGIKKGKFAQA-HZPDHXFCSA-N 2 2 356.511 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1)C(C)C ZINC001199104682 853371681 /nfs/dbraw/zinc/37/16/81/853371681.db2.gz RUVVGIKKGKFAQA-HZPDHXFCSA-N 2 2 356.511 0.133 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001199958164 853468797 /nfs/dbraw/zinc/46/87/97/853468797.db2.gz FKLRBGCYDZWVHW-QGZVFWFLSA-N 2 2 363.531 0.842 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001199958164 853468805 /nfs/dbraw/zinc/46/88/05/853468805.db2.gz FKLRBGCYDZWVHW-QGZVFWFLSA-N 2 2 363.531 0.842 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125307 853517704 /nfs/dbraw/zinc/51/77/04/853517704.db2.gz QQCOHNFRRSSONH-HUUCEWRRSA-N 2 2 368.503 0.919 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125307 853517709 /nfs/dbraw/zinc/51/77/09/853517709.db2.gz QQCOHNFRRSSONH-HUUCEWRRSA-N 2 2 368.503 0.919 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC([NH2+]CCCF)CC1 ZINC001201737426 853545340 /nfs/dbraw/zinc/54/53/40/853545340.db2.gz YMEJRNBRJSKTLE-SJORKVTESA-N 2 2 357.470 0.806 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563330 853826349 /nfs/dbraw/zinc/82/63/49/853826349.db2.gz PIWBWPYRCMIAQT-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563330 853826357 /nfs/dbraw/zinc/82/63/57/853826357.db2.gz PIWBWPYRCMIAQT-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207563330 853826363 /nfs/dbraw/zinc/82/63/63/853826363.db2.gz PIWBWPYRCMIAQT-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207563330 853826369 /nfs/dbraw/zinc/82/63/69/853826369.db2.gz PIWBWPYRCMIAQT-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568033 853826945 /nfs/dbraw/zinc/82/69/45/853826945.db2.gz LNOJEKJNHUXRQJ-GDBMZVCRSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568033 853826950 /nfs/dbraw/zinc/82/69/50/853826950.db2.gz LNOJEKJNHUXRQJ-GDBMZVCRSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207568033 853826954 /nfs/dbraw/zinc/82/69/54/853826954.db2.gz LNOJEKJNHUXRQJ-GDBMZVCRSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207568033 853826957 /nfs/dbraw/zinc/82/69/57/853826957.db2.gz LNOJEKJNHUXRQJ-GDBMZVCRSA-N 2 2 354.495 0.060 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686477 853840531 /nfs/dbraw/zinc/84/05/31/853840531.db2.gz CJTUZGZKQIKYBW-KLHDSHLOSA-N 2 2 354.495 0.058 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686477 853840534 /nfs/dbraw/zinc/84/05/34/853840534.db2.gz CJTUZGZKQIKYBW-KLHDSHLOSA-N 2 2 354.495 0.058 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207686477 853840540 /nfs/dbraw/zinc/84/05/40/853840540.db2.gz CJTUZGZKQIKYBW-KLHDSHLOSA-N 2 2 354.495 0.058 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207686477 853840545 /nfs/dbraw/zinc/84/05/45/853840545.db2.gz CJTUZGZKQIKYBW-KLHDSHLOSA-N 2 2 354.495 0.058 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859308 853864644 /nfs/dbraw/zinc/86/46/44/853864644.db2.gz OKHJTIJBAJQIGE-BZUAXINKSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859308 853864647 /nfs/dbraw/zinc/86/46/47/853864647.db2.gz OKHJTIJBAJQIGE-BZUAXINKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001208250427 853907731 /nfs/dbraw/zinc/90/77/31/853907731.db2.gz KUAKPCIFJMGVRM-RBSFLKMASA-N 2 2 356.492 0.390 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001208250427 853907734 /nfs/dbraw/zinc/90/77/34/853907734.db2.gz KUAKPCIFJMGVRM-RBSFLKMASA-N 2 2 356.492 0.390 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559102 853951963 /nfs/dbraw/zinc/95/19/63/853951963.db2.gz BYQBWYTXQGNXHK-IJEWVQPXSA-N 2 2 350.463 0.929 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559102 853951967 /nfs/dbraw/zinc/95/19/67/853951967.db2.gz BYQBWYTXQGNXHK-IJEWVQPXSA-N 2 2 350.463 0.929 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001209643467 854043452 /nfs/dbraw/zinc/04/34/52/854043452.db2.gz YSKLKHRCTZACJF-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001209643467 854043458 /nfs/dbraw/zinc/04/34/58/854043458.db2.gz YSKLKHRCTZACJF-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CCc1nnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)o1 ZINC001210297505 854097613 /nfs/dbraw/zinc/09/76/13/854097613.db2.gz HQPAYCGTINWWJC-HZSPNIEDSA-N 2 2 353.467 0.708 20 0 FCADLP CCc1nnc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C2)o1 ZINC001210297505 854097618 /nfs/dbraw/zinc/09/76/18/854097618.db2.gz HQPAYCGTINWWJC-HZSPNIEDSA-N 2 2 353.467 0.708 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001210603328 854119413 /nfs/dbraw/zinc/11/94/13/854119413.db2.gz GQMUJSDMACPGOV-FRFSOERESA-N 2 2 350.463 0.893 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001210603328 854119416 /nfs/dbraw/zinc/11/94/16/854119416.db2.gz GQMUJSDMACPGOV-FRFSOERESA-N 2 2 350.463 0.893 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367624 854182053 /nfs/dbraw/zinc/18/20/53/854182053.db2.gz YCDIIYRZGCVTMN-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367624 854182057 /nfs/dbraw/zinc/18/20/57/854182057.db2.gz YCDIIYRZGCVTMN-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367624 854182060 /nfs/dbraw/zinc/18/20/60/854182060.db2.gz YCDIIYRZGCVTMN-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001211367624 854182062 /nfs/dbraw/zinc/18/20/62/854182062.db2.gz YCDIIYRZGCVTMN-DJIMGWMZSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451636 854201212 /nfs/dbraw/zinc/20/12/12/854201212.db2.gz DKADUQDKQXGFHZ-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451636 854201220 /nfs/dbraw/zinc/20/12/20/854201220.db2.gz DKADUQDKQXGFHZ-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212201275 854402881 /nfs/dbraw/zinc/40/28/81/854402881.db2.gz YMDKEHMMMIFCMF-OWCLPIDISA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212201275 854402883 /nfs/dbraw/zinc/40/28/83/854402883.db2.gz YMDKEHMMMIFCMF-OWCLPIDISA-N 2 2 350.463 0.973 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297462 854431051 /nfs/dbraw/zinc/43/10/51/854431051.db2.gz CYTDKTBWNJIRQW-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297462 854431061 /nfs/dbraw/zinc/43/10/61/854431061.db2.gz CYTDKTBWNJIRQW-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297462 854431066 /nfs/dbraw/zinc/43/10/66/854431066.db2.gz CYTDKTBWNJIRQW-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297462 854431073 /nfs/dbraw/zinc/43/10/73/854431073.db2.gz CYTDKTBWNJIRQW-KLHDSHLOSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436781 854477625 /nfs/dbraw/zinc/47/76/25/854477625.db2.gz JTKZULOPNVCFBU-INMHGKMJSA-N 2 2 356.511 0.255 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436781 854477631 /nfs/dbraw/zinc/47/76/31/854477631.db2.gz JTKZULOPNVCFBU-INMHGKMJSA-N 2 2 356.511 0.255 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436708 854478120 /nfs/dbraw/zinc/47/81/20/854478120.db2.gz GDESUVQHMCWUBL-MCIONIFRSA-N 2 2 369.428 0.967 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436708 854478124 /nfs/dbraw/zinc/47/81/24/854478124.db2.gz GDESUVQHMCWUBL-MCIONIFRSA-N 2 2 369.428 0.967 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001212450930 854484241 /nfs/dbraw/zinc/48/42/41/854484241.db2.gz GAHSQHMPADRRKF-ARFHVFGLSA-N 2 2 352.479 0.903 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H](C)O)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001212450930 854484246 /nfs/dbraw/zinc/48/42/46/854484246.db2.gz GAHSQHMPADRRKF-ARFHVFGLSA-N 2 2 352.479 0.903 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483716 854497638 /nfs/dbraw/zinc/49/76/38/854497638.db2.gz PLJDYHUAZDOULG-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483716 854497644 /nfs/dbraw/zinc/49/76/44/854497644.db2.gz PLJDYHUAZDOULG-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483716 854497651 /nfs/dbraw/zinc/49/76/51/854497651.db2.gz PLJDYHUAZDOULG-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483716 854497660 /nfs/dbraw/zinc/49/76/60/854497660.db2.gz PLJDYHUAZDOULG-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203485 854531689 /nfs/dbraw/zinc/53/16/89/854531689.db2.gz SURMKJDFOCMQPZ-BZUAXINKSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203485 854531693 /nfs/dbraw/zinc/53/16/93/854531693.db2.gz SURMKJDFOCMQPZ-BZUAXINKSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241490 854546488 /nfs/dbraw/zinc/54/64/88/854546488.db2.gz FTGVVIUILUZHND-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241490 854546490 /nfs/dbraw/zinc/54/64/90/854546490.db2.gz FTGVVIUILUZHND-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241953 854547653 /nfs/dbraw/zinc/54/76/53/854547653.db2.gz WNZXHIBLNHARJE-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241953 854547665 /nfs/dbraw/zinc/54/76/65/854547665.db2.gz WNZXHIBLNHARJE-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346473 854583596 /nfs/dbraw/zinc/58/35/96/854583596.db2.gz OLMUKVZSYHIWSI-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346473 854583601 /nfs/dbraw/zinc/58/36/01/854583601.db2.gz OLMUKVZSYHIWSI-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369386 854589932 /nfs/dbraw/zinc/58/99/32/854589932.db2.gz QWSGOTIKZBIBGT-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369386 854589936 /nfs/dbraw/zinc/58/99/36/854589936.db2.gz QWSGOTIKZBIBGT-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370282 854590930 /nfs/dbraw/zinc/59/09/30/854590930.db2.gz DGSUJSNLJSMDQI-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370282 854590934 /nfs/dbraw/zinc/59/09/34/854590934.db2.gz DGSUJSNLJSMDQI-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376981 854593353 /nfs/dbraw/zinc/59/33/53/854593353.db2.gz RJECNTKSYCDDRY-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376981 854593358 /nfs/dbraw/zinc/59/33/58/854593358.db2.gz RJECNTKSYCDDRY-HZPDHXFCSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213434876 854614202 /nfs/dbraw/zinc/61/42/02/854614202.db2.gz OAHIVIHLESPTRO-BRWVUGGUSA-N 2 2 351.495 0.856 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1OC)[NH+](CC)CC ZINC001213434876 854614207 /nfs/dbraw/zinc/61/42/07/854614207.db2.gz OAHIVIHLESPTRO-BRWVUGGUSA-N 2 2 351.495 0.856 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446116 854619849 /nfs/dbraw/zinc/61/98/49/854619849.db2.gz ASUXJZDZHJFBIL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446116 854619854 /nfs/dbraw/zinc/61/98/54/854619854.db2.gz ASUXJZDZHJFBIL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446116 854619857 /nfs/dbraw/zinc/61/98/57/854619857.db2.gz ASUXJZDZHJFBIL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446116 854619859 /nfs/dbraw/zinc/61/98/59/854619859.db2.gz ASUXJZDZHJFBIL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001213613814 854685870 /nfs/dbraw/zinc/68/58/70/854685870.db2.gz BBWMARCUKBPXRN-QZTJIDSGSA-N 2 2 353.507 0.960 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001213613814 854685877 /nfs/dbraw/zinc/68/58/77/854685877.db2.gz BBWMARCUKBPXRN-QZTJIDSGSA-N 2 2 353.507 0.960 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213676007 854710672 /nfs/dbraw/zinc/71/06/72/854710672.db2.gz LGARCYHPYZIHPM-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213676007 854710674 /nfs/dbraw/zinc/71/06/74/854710674.db2.gz LGARCYHPYZIHPM-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213676007 854710676 /nfs/dbraw/zinc/71/06/76/854710676.db2.gz LGARCYHPYZIHPM-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213676007 854710677 /nfs/dbraw/zinc/71/06/77/854710677.db2.gz LGARCYHPYZIHPM-GDBMZVCRSA-N 2 2 352.483 0.264 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213675864 854711328 /nfs/dbraw/zinc/71/13/28/854711328.db2.gz CSNLVMFEYWSSEF-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213675864 854711337 /nfs/dbraw/zinc/71/13/37/854711337.db2.gz CSNLVMFEYWSSEF-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213675864 854711346 /nfs/dbraw/zinc/71/13/46/854711346.db2.gz CSNLVMFEYWSSEF-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213675864 854711353 /nfs/dbraw/zinc/71/13/53/854711353.db2.gz CSNLVMFEYWSSEF-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747497 854748878 /nfs/dbraw/zinc/74/88/78/854748878.db2.gz KTGATEQAIODQSR-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747497 854748879 /nfs/dbraw/zinc/74/88/79/854748879.db2.gz KTGATEQAIODQSR-FVQBIDKESA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1OC ZINC001213757745 854753228 /nfs/dbraw/zinc/75/32/28/854753228.db2.gz QXDWNRDFZGHTGU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1OC ZINC001213757745 854753237 /nfs/dbraw/zinc/75/32/37/854753237.db2.gz QXDWNRDFZGHTGU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001213757745 854753246 /nfs/dbraw/zinc/75/32/46/854753246.db2.gz QXDWNRDFZGHTGU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001213757745 854753258 /nfs/dbraw/zinc/75/32/58/854753258.db2.gz QXDWNRDFZGHTGU-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757872 854753709 /nfs/dbraw/zinc/75/37/09/854753709.db2.gz VQJSCPDMZCKOBL-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757872 854753713 /nfs/dbraw/zinc/75/37/13/854753713.db2.gz VQJSCPDMZCKOBL-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757872 854753715 /nfs/dbraw/zinc/75/37/15/854753715.db2.gz VQJSCPDMZCKOBL-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757872 854753717 /nfs/dbraw/zinc/75/37/17/854753717.db2.gz VQJSCPDMZCKOBL-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213781316 854763261 /nfs/dbraw/zinc/76/32/61/854763261.db2.gz MYDBCDKEJBNQQZ-IXDOHACOSA-N 2 2 350.463 0.891 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CC1 ZINC001213781316 854763266 /nfs/dbraw/zinc/76/32/66/854763266.db2.gz MYDBCDKEJBNQQZ-IXDOHACOSA-N 2 2 350.463 0.891 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801985 854773877 /nfs/dbraw/zinc/77/38/77/854773877.db2.gz JFYHFSIWLZTVRC-GVDBMIGSSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801985 854773883 /nfs/dbraw/zinc/77/38/83/854773883.db2.gz JFYHFSIWLZTVRC-GVDBMIGSSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213859492 854794701 /nfs/dbraw/zinc/79/47/01/854794701.db2.gz DPMUMHAZAQPARB-YNEHKIRRSA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001213859492 854794705 /nfs/dbraw/zinc/79/47/05/854794705.db2.gz DPMUMHAZAQPARB-YNEHKIRRSA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213859492 854794709 /nfs/dbraw/zinc/79/47/09/854794709.db2.gz DPMUMHAZAQPARB-YNEHKIRRSA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213859492 854794714 /nfs/dbraw/zinc/79/47/14/854794714.db2.gz DPMUMHAZAQPARB-YNEHKIRRSA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860087 854796498 /nfs/dbraw/zinc/79/64/98/854796498.db2.gz SFDRGVNKWLHBKV-BRWVUGGUSA-N 2 2 355.479 0.093 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860087 854796505 /nfs/dbraw/zinc/79/65/05/854796505.db2.gz SFDRGVNKWLHBKV-BRWVUGGUSA-N 2 2 355.479 0.093 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213872044 854801975 /nfs/dbraw/zinc/80/19/75/854801975.db2.gz RAXPDFSQIHXAKB-OWCLPIDISA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213872044 854801981 /nfs/dbraw/zinc/80/19/81/854801981.db2.gz RAXPDFSQIHXAKB-OWCLPIDISA-N 2 2 354.495 0.332 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929973 854831569 /nfs/dbraw/zinc/83/15/69/854831569.db2.gz UCBFBYCSMISCQJ-BZUAXINKSA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929973 854831572 /nfs/dbraw/zinc/83/15/72/854831572.db2.gz UCBFBYCSMISCQJ-BZUAXINKSA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929973 854831575 /nfs/dbraw/zinc/83/15/75/854831575.db2.gz UCBFBYCSMISCQJ-BZUAXINKSA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929973 854831577 /nfs/dbraw/zinc/83/15/77/854831577.db2.gz UCBFBYCSMISCQJ-BZUAXINKSA-N 2 2 356.511 0.303 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974417 854851256 /nfs/dbraw/zinc/85/12/56/854851256.db2.gz ZBRFWINMICUPJM-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974417 854851265 /nfs/dbraw/zinc/85/12/65/854851265.db2.gz ZBRFWINMICUPJM-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214672064 854990284 /nfs/dbraw/zinc/99/02/84/854990284.db2.gz FDJKWRPDYZCOHV-UKRRQHHQSA-N 2 2 368.503 0.243 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005906 855050209 /nfs/dbraw/zinc/05/02/09/855050209.db2.gz KSNFLRVYACJLNH-BZUAXINKSA-N 2 2 350.463 0.545 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001215226670 855084270 /nfs/dbraw/zinc/08/42/70/855084270.db2.gz OVGYIQFBRKLNDB-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001215226670 855084279 /nfs/dbraw/zinc/08/42/79/855084279.db2.gz OVGYIQFBRKLNDB-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001215226660 855084532 /nfs/dbraw/zinc/08/45/32/855084532.db2.gz OLLCMBCKHFKYQN-NXHRZFHOSA-N 2 2 353.507 0.960 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001215226660 855084536 /nfs/dbraw/zinc/08/45/36/855084536.db2.gz OLLCMBCKHFKYQN-NXHRZFHOSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001215934550 855158047 /nfs/dbraw/zinc/15/80/47/855158047.db2.gz YFUIQXCGXAFVBR-GDBMZVCRSA-N 2 2 351.451 0.509 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001216396574 855198771 /nfs/dbraw/zinc/19/87/71/855198771.db2.gz CUIWLLYJBWDYTF-BFHYXJOUSA-N 2 2 370.519 0.805 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216974624 855273096 /nfs/dbraw/zinc/27/30/96/855273096.db2.gz KYVFNVJJSACULG-HUUCEWRRSA-N 2 2 371.507 0.039 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001216975244 855273128 /nfs/dbraw/zinc/27/31/28/855273128.db2.gz RSBJKSBSVUXPGD-BZUAXINKSA-N 2 2 370.519 0.781 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001216975241 855273241 /nfs/dbraw/zinc/27/32/41/855273241.db2.gz RSBJKSBSVUXPGD-ARFHVFGLSA-N 2 2 370.519 0.781 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001217009547 855275094 /nfs/dbraw/zinc/27/50/94/855275094.db2.gz ASXLJZUKUZIGAR-UKRRQHHQSA-N 2 2 361.471 0.698 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217594885 855351561 /nfs/dbraw/zinc/35/15/61/855351561.db2.gz HJGPPWNYFGDOBH-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217594885 855351565 /nfs/dbraw/zinc/35/15/65/855351565.db2.gz HJGPPWNYFGDOBH-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217594885 855351575 /nfs/dbraw/zinc/35/15/75/855351575.db2.gz HJGPPWNYFGDOBH-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217594885 855351581 /nfs/dbraw/zinc/35/15/81/855351581.db2.gz HJGPPWNYFGDOBH-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP CC(C)C[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21)n1cc[nH+]c1 ZINC001218148026 855401366 /nfs/dbraw/zinc/40/13/66/855401366.db2.gz MWUZPVGEXLQDJT-YESZJQIVSA-N 2 2 350.463 0.764 20 0 FCADLP CC(C)C[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21)n1cc[nH+]c1 ZINC001218148026 855401373 /nfs/dbraw/zinc/40/13/73/855401373.db2.gz MWUZPVGEXLQDJT-YESZJQIVSA-N 2 2 350.463 0.764 20 0 FCADLP N=c1nnc(-c2cccc(Cl)c2Cl)c(N)n1C(=O)C[NH2+]CCC[NH3+] ZINC001218601908 855447535 /nfs/dbraw/zinc/44/75/35/855447535.db2.gz IQNPAOGGDVJUBM-UHFFFAOYSA-N 2 2 370.244 0.892 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630717 855453986 /nfs/dbraw/zinc/45/39/86/855453986.db2.gz MNGSHYXHAUNZBC-SOUVJXGZSA-N 2 2 361.433 0.522 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630717 855453994 /nfs/dbraw/zinc/45/39/94/855453994.db2.gz MNGSHYXHAUNZBC-SOUVJXGZSA-N 2 2 361.433 0.522 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630717 855454001 /nfs/dbraw/zinc/45/40/01/855454001.db2.gz MNGSHYXHAUNZBC-SOUVJXGZSA-N 2 2 361.433 0.522 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)F)C[C@@H]32)C1 ZINC001218630717 855454008 /nfs/dbraw/zinc/45/40/08/855454008.db2.gz MNGSHYXHAUNZBC-SOUVJXGZSA-N 2 2 361.433 0.522 20 0 FCADLP O=C(Nc1nc[nH]c(=O)c1Br)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218680005 855463776 /nfs/dbraw/zinc/46/37/76/855463776.db2.gz NVHFUPLHYCHJBS-MRVPVSSYSA-N 2 2 356.224 0.757 20 0 FCADLP COC(=O)c1cc(Br)cc(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218733394 855472464 /nfs/dbraw/zinc/47/24/64/855472464.db2.gz DCOIBZJSZFEAOY-UHFFFAOYSA-N 2 2 357.208 0.650 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819880 855482081 /nfs/dbraw/zinc/48/20/81/855482081.db2.gz QDZMANBJEFBQFJ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819880 855482083 /nfs/dbraw/zinc/48/20/83/855482083.db2.gz QDZMANBJEFBQFJ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001218911397 855494960 /nfs/dbraw/zinc/49/49/60/855494960.db2.gz DCFPJKXEPKDJOE-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001218911397 855494964 /nfs/dbraw/zinc/49/49/64/855494964.db2.gz DCFPJKXEPKDJOE-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001218911397 855494966 /nfs/dbraw/zinc/49/49/66/855494966.db2.gz DCFPJKXEPKDJOE-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001218911397 855494970 /nfs/dbraw/zinc/49/49/70/855494970.db2.gz DCFPJKXEPKDJOE-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218959278 855502682 /nfs/dbraw/zinc/50/26/82/855502682.db2.gz NJAXRXBJSILRQQ-DLBZAZTESA-N 2 2 350.463 0.689 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218959278 855502687 /nfs/dbraw/zinc/50/26/87/855502687.db2.gz NJAXRXBJSILRQQ-DLBZAZTESA-N 2 2 350.463 0.689 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219031951 855517130 /nfs/dbraw/zinc/51/71/30/855517130.db2.gz KHFMLMAWNPHURC-HZSPNIEDSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219031951 855517141 /nfs/dbraw/zinc/51/71/41/855517141.db2.gz KHFMLMAWNPHURC-HZSPNIEDSA-N 2 2 365.396 0.307 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052335 855528035 /nfs/dbraw/zinc/52/80/35/855528035.db2.gz UJPHTTMVRVVLAP-OWCLPIDISA-N 2 2 352.479 0.038 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052335 855528037 /nfs/dbraw/zinc/52/80/37/855528037.db2.gz UJPHTTMVRVVLAP-OWCLPIDISA-N 2 2 352.479 0.038 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068783 855535749 /nfs/dbraw/zinc/53/57/49/855535749.db2.gz ISLRPMSBWDDQBF-DLBZAZTESA-N 2 2 350.463 0.857 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068783 855535754 /nfs/dbraw/zinc/53/57/54/855535754.db2.gz ISLRPMSBWDDQBF-DLBZAZTESA-N 2 2 350.463 0.857 20 0 FCADLP COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(OC)c(OC(C)=O)c1 ZINC001219166482 855569340 /nfs/dbraw/zinc/56/93/40/855569340.db2.gz VSYXPCPUFBUNBX-PWSUYJOCSA-N 2 2 351.359 0.035 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001219551423 855710567 /nfs/dbraw/zinc/71/05/67/855710567.db2.gz ZMEKFDBILWDTKC-CVEARBPZSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001219551423 855710574 /nfs/dbraw/zinc/71/05/74/855710574.db2.gz ZMEKFDBILWDTKC-CVEARBPZSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cccc(Br)c1 ZINC001219577800 855720328 /nfs/dbraw/zinc/72/03/28/855720328.db2.gz NJIZDRMHHGDKIE-NHYWBVRUSA-N 2 2 352.232 0.700 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001219731882 855790104 /nfs/dbraw/zinc/79/01/04/855790104.db2.gz JADWVJCNOQNESC-KFWWJZLASA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001219731882 855790106 /nfs/dbraw/zinc/79/01/06/855790106.db2.gz JADWVJCNOQNESC-KFWWJZLASA-N 2 2 356.442 0.633 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CCC1 ZINC001219813897 855829172 /nfs/dbraw/zinc/82/91/72/855829172.db2.gz JTNOUQVLMNABFS-CABCVRRESA-N 2 2 355.870 0.182 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CCC1 ZINC001219813897 855829174 /nfs/dbraw/zinc/82/91/74/855829174.db2.gz JTNOUQVLMNABFS-CABCVRRESA-N 2 2 355.870 0.182 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CCC1 ZINC001219813897 855829178 /nfs/dbraw/zinc/82/91/78/855829178.db2.gz JTNOUQVLMNABFS-CABCVRRESA-N 2 2 355.870 0.182 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CCC1 ZINC001219813897 855829181 /nfs/dbraw/zinc/82/91/81/855829181.db2.gz JTNOUQVLMNABFS-CABCVRRESA-N 2 2 355.870 0.182 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)sn1 ZINC001219830144 855834962 /nfs/dbraw/zinc/83/49/62/855834962.db2.gz OSTHVYZFBDWWGQ-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)sn1 ZINC001219830144 855834965 /nfs/dbraw/zinc/83/49/65/855834965.db2.gz OSTHVYZFBDWWGQ-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)sn1 ZINC001219830144 855834968 /nfs/dbraw/zinc/83/49/68/855834968.db2.gz OSTHVYZFBDWWGQ-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)sn1 ZINC001219830144 855834972 /nfs/dbraw/zinc/83/49/72/855834972.db2.gz OSTHVYZFBDWWGQ-BMFZPTHFSA-N 2 2 352.504 0.987 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219842519 855842255 /nfs/dbraw/zinc/84/22/55/855842255.db2.gz QDXWXWOMSFVTFS-IKGGRYGDSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219842519 855842259 /nfs/dbraw/zinc/84/22/59/855842259.db2.gz QDXWXWOMSFVTFS-IKGGRYGDSA-N 2 2 352.479 0.793 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001219869421 855854375 /nfs/dbraw/zinc/85/43/75/855854375.db2.gz LKVOFKVIGKKSNZ-OAGGEKHMSA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@@H]1O)[NH+](C)C ZINC001219869421 855854381 /nfs/dbraw/zinc/85/43/81/855854381.db2.gz LKVOFKVIGKKSNZ-OAGGEKHMSA-N 2 2 353.438 0.836 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893937 855867074 /nfs/dbraw/zinc/86/70/74/855867074.db2.gz REQJVDGEKLWMKO-OIISXLGYSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893937 855867078 /nfs/dbraw/zinc/86/70/78/855867078.db2.gz REQJVDGEKLWMKO-OIISXLGYSA-N 2 2 350.463 0.422 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219902464 855872525 /nfs/dbraw/zinc/87/25/25/855872525.db2.gz CDDDKYLHEJPCFX-KGLIPLIRSA-N 2 2 357.886 0.428 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219902464 855872530 /nfs/dbraw/zinc/87/25/30/855872530.db2.gz CDDDKYLHEJPCFX-KGLIPLIRSA-N 2 2 357.886 0.428 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219902464 855872535 /nfs/dbraw/zinc/87/25/35/855872535.db2.gz CDDDKYLHEJPCFX-KGLIPLIRSA-N 2 2 357.886 0.428 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219902464 855872540 /nfs/dbraw/zinc/87/25/40/855872540.db2.gz CDDDKYLHEJPCFX-KGLIPLIRSA-N 2 2 357.886 0.428 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908626 855876072 /nfs/dbraw/zinc/87/60/72/855876072.db2.gz MOLTWRLPGVKJDN-UAGQMJEPSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908626 855876074 /nfs/dbraw/zinc/87/60/74/855876074.db2.gz MOLTWRLPGVKJDN-UAGQMJEPSA-N 2 2 350.463 0.279 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219944171 855891452 /nfs/dbraw/zinc/89/14/52/855891452.db2.gz RWGFWDUJFXPORA-XQQFMLRXSA-N 2 2 365.396 0.089 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219944171 855891458 /nfs/dbraw/zinc/89/14/58/855891458.db2.gz RWGFWDUJFXPORA-XQQFMLRXSA-N 2 2 365.396 0.089 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220185384 855997693 /nfs/dbraw/zinc/99/76/93/855997693.db2.gz GVUXVIAIEQLYNC-ZFWWWQNUSA-N 2 2 356.417 0.977 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197811 856004886 /nfs/dbraw/zinc/00/48/86/856004886.db2.gz SPYONBAYJYECTL-AWEZNQCLSA-N 2 2 355.479 0.807 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233577 856024716 /nfs/dbraw/zinc/02/47/16/856024716.db2.gz ATZGAHDDQAGBLE-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233577 856024727 /nfs/dbraw/zinc/02/47/27/856024727.db2.gz ATZGAHDDQAGBLE-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1Cl ZINC001220275123 856040410 /nfs/dbraw/zinc/04/04/10/856040410.db2.gz PRQZARCBBQIMTC-CABCVRRESA-N 2 2 355.866 0.962 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1Cl ZINC001220275123 856040416 /nfs/dbraw/zinc/04/04/16/856040416.db2.gz PRQZARCBBQIMTC-CABCVRRESA-N 2 2 355.866 0.962 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328487 856067709 /nfs/dbraw/zinc/06/77/09/856067709.db2.gz HYPLZWBFSRFUOY-BMFZPTHFSA-N 2 2 350.463 0.806 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328487 856067713 /nfs/dbraw/zinc/06/77/13/856067713.db2.gz HYPLZWBFSRFUOY-BMFZPTHFSA-N 2 2 350.463 0.806 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220582847 856194599 /nfs/dbraw/zinc/19/45/99/856194599.db2.gz HFPSMFNPWHYDIB-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220582847 856194600 /nfs/dbraw/zinc/19/46/00/856194600.db2.gz HFPSMFNPWHYDIB-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP [NH3+]C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccc(Br)cc1 ZINC001220607937 856204471 /nfs/dbraw/zinc/20/44/71/856204471.db2.gz QBYPRNMFRYWJPX-BHPKHCPMSA-N 3 2 353.264 0.787 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220688935 856243479 /nfs/dbraw/zinc/24/34/79/856243479.db2.gz WQDUISVWWPZATM-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220688935 856243492 /nfs/dbraw/zinc/24/34/92/856243492.db2.gz WQDUISVWWPZATM-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220688935 856243499 /nfs/dbraw/zinc/24/34/99/856243499.db2.gz WQDUISVWWPZATM-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O ZINC001220688935 856243511 /nfs/dbraw/zinc/24/35/11/856243511.db2.gz WQDUISVWWPZATM-CVEARBPZSA-N 2 2 351.495 0.641 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220772337 856291759 /nfs/dbraw/zinc/29/17/59/856291759.db2.gz PDHPCALMNHGWAA-OCCSQVGLSA-N 2 2 358.389 0.204 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220772337 856291772 /nfs/dbraw/zinc/29/17/72/856291772.db2.gz PDHPCALMNHGWAA-OCCSQVGLSA-N 2 2 358.389 0.204 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821597 856323168 /nfs/dbraw/zinc/32/31/68/856323168.db2.gz BCVWVNYFOJTMNQ-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821597 856323174 /nfs/dbraw/zinc/32/31/74/856323174.db2.gz BCVWVNYFOJTMNQ-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821597 856323183 /nfs/dbraw/zinc/32/31/83/856323183.db2.gz BCVWVNYFOJTMNQ-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821597 856323192 /nfs/dbraw/zinc/32/31/92/856323192.db2.gz BCVWVNYFOJTMNQ-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220888586 856359237 /nfs/dbraw/zinc/35/92/37/856359237.db2.gz QCKFQFPHZZFSKH-YUELXQCFSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220888586 856359244 /nfs/dbraw/zinc/35/92/44/856359244.db2.gz QCKFQFPHZZFSKH-YUELXQCFSA-N 2 2 356.417 0.949 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)o1 ZINC001220994376 856413261 /nfs/dbraw/zinc/41/32/61/856413261.db2.gz OBDBNBHDNCODEA-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)o1 ZINC001220994376 856413267 /nfs/dbraw/zinc/41/32/67/856413267.db2.gz OBDBNBHDNCODEA-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091342 856457983 /nfs/dbraw/zinc/45/79/83/856457983.db2.gz KXNGTDOUODKJAU-IMJJTQAJSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091342 856457986 /nfs/dbraw/zinc/45/79/86/856457986.db2.gz KXNGTDOUODKJAU-IMJJTQAJSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091342 856457988 /nfs/dbraw/zinc/45/79/88/856457988.db2.gz KXNGTDOUODKJAU-IMJJTQAJSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091342 856457992 /nfs/dbraw/zinc/45/79/92/856457992.db2.gz KXNGTDOUODKJAU-IMJJTQAJSA-N 2 2 356.511 0.181 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130469 856474904 /nfs/dbraw/zinc/47/49/04/856474904.db2.gz TTXCQQYOGHGXJQ-KRWDZBQOSA-N 3 2 351.539 0.413 20 0 FCADLP [NH3+]CCCP(CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001221272174 856534817 /nfs/dbraw/zinc/53/48/17/856534817.db2.gz XXUHBZSPLJGMEB-WFBICUIVSA-N 3 2 362.458 0.600 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616517 856625624 /nfs/dbraw/zinc/62/56/24/856625624.db2.gz OBRWLCKSGYPAQQ-NUJGCVRESA-N 2 2 350.507 0.776 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616517 856625629 /nfs/dbraw/zinc/62/56/29/856625629.db2.gz OBRWLCKSGYPAQQ-NUJGCVRESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616174 856625684 /nfs/dbraw/zinc/62/56/84/856625684.db2.gz HEJIYKIKQMVEBU-JFIYKMOQSA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616174 856625693 /nfs/dbraw/zinc/62/56/93/856625693.db2.gz HEJIYKIKQMVEBU-JFIYKMOQSA-N 2 2 350.507 0.632 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848201 856708089 /nfs/dbraw/zinc/70/80/89/856708089.db2.gz DNHLKJSADHBIKI-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848201 856708095 /nfs/dbraw/zinc/70/80/95/856708095.db2.gz DNHLKJSADHBIKI-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848201 856708104 /nfs/dbraw/zinc/70/81/04/856708104.db2.gz DNHLKJSADHBIKI-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848201 856708110 /nfs/dbraw/zinc/70/81/10/856708110.db2.gz DNHLKJSADHBIKI-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221883777 856723118 /nfs/dbraw/zinc/72/31/18/856723118.db2.gz UDZHVWISVNZOOL-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221883777 856723123 /nfs/dbraw/zinc/72/31/23/856723123.db2.gz UDZHVWISVNZOOL-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014201 856768410 /nfs/dbraw/zinc/76/84/10/856768410.db2.gz WCDAEEFWSGBOFX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014201 856768415 /nfs/dbraw/zinc/76/84/15/856768415.db2.gz WCDAEEFWSGBOFX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014201 856768421 /nfs/dbraw/zinc/76/84/21/856768421.db2.gz WCDAEEFWSGBOFX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014201 856768429 /nfs/dbraw/zinc/76/84/29/856768429.db2.gz WCDAEEFWSGBOFX-OWCLPIDISA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018275 856769661 /nfs/dbraw/zinc/76/96/61/856769661.db2.gz VODBQEFEAQTUIK-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018275 856769662 /nfs/dbraw/zinc/76/96/62/856769662.db2.gz VODBQEFEAQTUIK-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045363 856782639 /nfs/dbraw/zinc/78/26/39/856782639.db2.gz IDNAEUBGISKYLW-IAGOWNOFSA-N 2 2 371.547 0.830 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045363 856782644 /nfs/dbraw/zinc/78/26/44/856782644.db2.gz IDNAEUBGISKYLW-IAGOWNOFSA-N 2 2 371.547 0.830 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223652641 856934227 /nfs/dbraw/zinc/93/42/27/856934227.db2.gz VGAMNLHICCLFEL-UXLLHSPISA-N 2 2 350.463 0.520 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223652641 856934232 /nfs/dbraw/zinc/93/42/32/856934232.db2.gz VGAMNLHICCLFEL-UXLLHSPISA-N 2 2 350.463 0.520 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223652641 856934239 /nfs/dbraw/zinc/93/42/39/856934239.db2.gz VGAMNLHICCLFEL-UXLLHSPISA-N 2 2 350.463 0.520 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223652641 856934245 /nfs/dbraw/zinc/93/42/45/856934245.db2.gz VGAMNLHICCLFEL-UXLLHSPISA-N 2 2 350.463 0.520 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2([NH+](C)C)CCC2)nc1=O ZINC001226782296 857125526 /nfs/dbraw/zinc/12/55/26/857125526.db2.gz JSBNKSSIQHTFQU-CHWSQXEVSA-N 2 2 350.467 0.110 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1)[NH+](C)C ZINC001227057538 857139427 /nfs/dbraw/zinc/13/94/27/857139427.db2.gz UPIWNLCIAFBIHF-MGPQQGTHSA-N 2 2 352.483 0.993 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228528280 857214357 /nfs/dbraw/zinc/21/43/57/857214357.db2.gz ADIXRQWRTSIVTA-BFHYXJOUSA-N 2 2 368.503 0.891 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228799897 857230112 /nfs/dbraw/zinc/23/01/12/857230112.db2.gz AXUCKYRFMCOWFM-HUUCEWRRSA-N 2 2 356.492 0.794 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228800312 857230314 /nfs/dbraw/zinc/23/03/14/857230314.db2.gz IYLMDBPTEQIKOB-HUUCEWRRSA-N 2 2 351.451 0.122 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)Nc1nccs1 ZINC001230347974 857328219 /nfs/dbraw/zinc/32/82/19/857328219.db2.gz POYUKZOKNFRUSX-CHWSQXEVSA-N 2 2 362.459 0.995 20 0 FCADLP Cn1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(=O)n(C)c1=O ZINC001231770077 857364570 /nfs/dbraw/zinc/36/45/70/857364570.db2.gz DJPHVHIEQKMUAK-UHFFFAOYSA-N 2 2 350.463 0.159 20 0 FCADLP Cn1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(=O)n(C)c1=O ZINC001231770077 857364575 /nfs/dbraw/zinc/36/45/75/857364575.db2.gz DJPHVHIEQKMUAK-UHFFFAOYSA-N 2 2 350.463 0.159 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](C[C@H]([NH3+])Cc3ccccc3)C[C@H]2C1 ZINC001235616271 857430150 /nfs/dbraw/zinc/43/01/50/857430150.db2.gz TYQFZYXGHZMMAV-FGTMMUONSA-N 2 2 366.531 0.617 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C[C@H]2C1 ZINC001235616271 857430152 /nfs/dbraw/zinc/43/01/52/857430152.db2.gz TYQFZYXGHZMMAV-FGTMMUONSA-N 2 2 366.531 0.617 20 0 FCADLP CN(C)C(=O)CN1CCO[C@H]2C[N@H+](CC3(C[NH+](C)C)CCCC3)C[C@@H]21 ZINC001279493256 862914510 /nfs/dbraw/zinc/91/45/10/862914510.db2.gz ZMEGEVLYACJBMT-IRXDYDNUSA-N 2 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](CC3(C[NH+](C)C)CCCC3)C[C@@H]21 ZINC001279493256 862914524 /nfs/dbraw/zinc/91/45/24/862914524.db2.gz ZMEGEVLYACJBMT-IRXDYDNUSA-N 2 2 352.523 0.582 20 0 FCADLP CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238837046 857482499 /nfs/dbraw/zinc/48/24/99/857482499.db2.gz ATXZMFZLNGEQOI-UHFFFAOYSA-N 2 2 357.480 0.387 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001239074313 857504071 /nfs/dbraw/zinc/50/40/71/857504071.db2.gz CHGHWGDKEDCXSF-UHFFFAOYSA-N 2 2 365.459 0.607 20 0 FCADLP CC[NH+]1CCC(C[NH+]2CC3(CCN3S(=O)(=O)c3cn(C)cn3)C2)CC1 ZINC001279502605 862919748 /nfs/dbraw/zinc/91/97/48/862919748.db2.gz VCRTVPDETATKSS-UHFFFAOYSA-N 2 2 367.519 0.601 20 0 FCADLP CCOC1(OCC)CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246121740 857569151 /nfs/dbraw/zinc/56/91/51/857569151.db2.gz SFVSTINKPRNULY-KKUMJFAQSA-N 2 2 357.495 0.779 20 0 FCADLP CCOC1(OCC)CC[NH2+]C[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246121739 857569462 /nfs/dbraw/zinc/56/94/62/857569462.db2.gz SFVSTINKPRNULY-ILXRZTDVSA-N 2 2 357.495 0.779 20 0 FCADLP O=C([C@@H]1C[C@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1)N1CCSC1 ZINC001246143200 857569614 /nfs/dbraw/zinc/56/96/14/857569614.db2.gz UVFVBBLGMXJLQP-ZOBUZTSGSA-N 3 2 363.531 0.451 20 0 FCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699263 857592675 /nfs/dbraw/zinc/59/26/75/857592675.db2.gz ZLQOJQFDTQPBBU-ROUUACIJSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699263 857592683 /nfs/dbraw/zinc/59/26/83/857592683.db2.gz ZLQOJQFDTQPBBU-ROUUACIJSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699263 857592692 /nfs/dbraw/zinc/59/26/92/857592692.db2.gz ZLQOJQFDTQPBBU-ROUUACIJSA-N 3 2 352.523 0.141 20 0 FCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246699263 857592702 /nfs/dbraw/zinc/59/27/02/857592702.db2.gz ZLQOJQFDTQPBBU-ROUUACIJSA-N 3 2 352.523 0.141 20 0 FCADLP COCCN1CC2(CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)[C@H](COC)C1=O ZINC001246749617 857597394 /nfs/dbraw/zinc/59/73/94/857597394.db2.gz QQDASRWWVUONPO-GVDBMIGSSA-N 2 2 353.507 0.960 20 0 FCADLP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H](O)C[NH+]1CCOCC1 ZINC001251022218 857684676 /nfs/dbraw/zinc/68/46/76/857684676.db2.gz XWCMMQPNXPDKKY-LJQANCHMSA-N 3 2 358.571 0.665 20 0 FCADLP CN(C(=O)NC[C@H]1CCCNC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001251741918 857747542 /nfs/dbraw/zinc/74/75/42/857747542.db2.gz QPMSNOLGAYZGMD-GDBMZVCRSA-N 2 2 351.495 0.323 20 0 FCADLP CN(C(=O)NC[C@H]1CCCNC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001251741918 857747553 /nfs/dbraw/zinc/74/75/53/857747553.db2.gz QPMSNOLGAYZGMD-GDBMZVCRSA-N 2 2 351.495 0.323 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252026807 857778674 /nfs/dbraw/zinc/77/86/74/857778674.db2.gz OSFWJIIGMKPIDZ-MRXNPFEDSA-N 2 2 350.463 0.442 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252026807 857778679 /nfs/dbraw/zinc/77/86/79/857778679.db2.gz OSFWJIIGMKPIDZ-MRXNPFEDSA-N 2 2 350.463 0.442 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccns2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279556077 862955099 /nfs/dbraw/zinc/95/50/99/862955099.db2.gz LLINMFVJVBBAHD-QGZVFWFLSA-N 2 2 351.520 0.861 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccns2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279556077 862955108 /nfs/dbraw/zinc/95/51/08/862955108.db2.gz LLINMFVJVBBAHD-QGZVFWFLSA-N 2 2 351.520 0.861 20 0 FCADLP CC[NH+](CC)C[C@H](O)CN1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC001253181240 857868922 /nfs/dbraw/zinc/86/89/22/857868922.db2.gz RBIBHGQLSUVPGQ-INIZCTEOSA-N 2 2 358.527 0.831 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516645 857976450 /nfs/dbraw/zinc/97/64/50/857976450.db2.gz BWCUPONICJBUDX-LPHOPBHVSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+]([C@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516645 857976453 /nfs/dbraw/zinc/97/64/53/857976453.db2.gz BWCUPONICJBUDX-LPHOPBHVSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254516645 857976455 /nfs/dbraw/zinc/97/64/55/857976455.db2.gz BWCUPONICJBUDX-LPHOPBHVSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254516645 857976456 /nfs/dbraw/zinc/97/64/56/857976456.db2.gz BWCUPONICJBUDX-LPHOPBHVSA-N 2 2 350.507 0.873 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856047 857988028 /nfs/dbraw/zinc/98/80/28/857988028.db2.gz CVYFBWJPMVMIKH-ZIFCJYIRSA-N 2 2 351.491 0.857 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254856047 857988038 /nfs/dbraw/zinc/98/80/38/857988038.db2.gz CVYFBWJPMVMIKH-ZIFCJYIRSA-N 2 2 351.491 0.857 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254857757 857989276 /nfs/dbraw/zinc/98/92/76/857989276.db2.gz CJGRHBXKUPAXSG-IXDOHACOSA-N 2 2 356.536 0.531 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254857757 857989283 /nfs/dbraw/zinc/98/92/83/857989283.db2.gz CJGRHBXKUPAXSG-IXDOHACOSA-N 2 2 356.536 0.531 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255488323 858015501 /nfs/dbraw/zinc/01/55/01/858015501.db2.gz GXZQMNDTYDKOHM-QGZVFWFLSA-N 3 2 351.539 0.251 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255488323 858015512 /nfs/dbraw/zinc/01/55/12/858015512.db2.gz GXZQMNDTYDKOHM-QGZVFWFLSA-N 3 2 351.539 0.251 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001255488323 858015521 /nfs/dbraw/zinc/01/55/21/858015521.db2.gz GXZQMNDTYDKOHM-QGZVFWFLSA-N 3 2 351.539 0.251 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001255488323 858015528 /nfs/dbraw/zinc/01/55/28/858015528.db2.gz GXZQMNDTYDKOHM-QGZVFWFLSA-N 3 2 351.539 0.251 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001257240340 858131711 /nfs/dbraw/zinc/13/17/11/858131711.db2.gz SINVQDNNCYGRNS-UHFFFAOYSA-N 2 2 372.535 0.072 20 0 FCADLP COC(=O)CCS(=O)(=O)CC[C@H](C)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257934300 858168819 /nfs/dbraw/zinc/16/88/19/858168819.db2.gz BUIOORNEPVKSBF-HNNXBMFYSA-N 2 2 365.540 0.168 20 0 FCADLP C[C@@H]1CCOCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001262539584 858990837 /nfs/dbraw/zinc/99/08/37/858990837.db2.gz JDKJSGLVCPHYSY-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1CCOCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001262539584 858990840 /nfs/dbraw/zinc/99/08/40/858990840.db2.gz JDKJSGLVCPHYSY-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H]1CC[NH3+] ZINC001262572288 859002872 /nfs/dbraw/zinc/00/28/72/859002872.db2.gz PYNHDMJVDYBOTM-GDBMZVCRSA-N 2 2 374.551 0.654 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC001262591130 859012578 /nfs/dbraw/zinc/01/25/78/859012578.db2.gz GVXBRXZHUCERCD-AWEZNQCLSA-N 2 2 352.508 0.394 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](c2nnc(N3CC[NH+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913915 859069304 /nfs/dbraw/zinc/06/93/04/859069304.db2.gz UGFMDLNHYGWTME-GJZGRUSLSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](c2nnc(N3CC[NH+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913915 859069309 /nfs/dbraw/zinc/06/93/09/859069309.db2.gz UGFMDLNHYGWTME-GJZGRUSLSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@H](c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913915 859069318 /nfs/dbraw/zinc/06/93/18/859069318.db2.gz UGFMDLNHYGWTME-GJZGRUSLSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@H](c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913915 859069325 /nfs/dbraw/zinc/06/93/25/859069325.db2.gz UGFMDLNHYGWTME-GJZGRUSLSA-N 2 2 350.467 0.118 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001274908726 860869388 /nfs/dbraw/zinc/86/93/88/860869388.db2.gz NYOPQTLKVCOQQQ-AJNGGQMLSA-N 2 2 350.488 0.692 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001274908726 860869390 /nfs/dbraw/zinc/86/93/90/860869390.db2.gz NYOPQTLKVCOQQQ-AJNGGQMLSA-N 2 2 350.488 0.692 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[NH+]1C ZINC001274908726 860869392 /nfs/dbraw/zinc/86/93/92/860869392.db2.gz NYOPQTLKVCOQQQ-AJNGGQMLSA-N 2 2 350.488 0.692 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[NH+]1C ZINC001274908726 860869394 /nfs/dbraw/zinc/86/93/94/860869394.db2.gz NYOPQTLKVCOQQQ-AJNGGQMLSA-N 2 2 350.488 0.692 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176835 860979386 /nfs/dbraw/zinc/97/93/86/860979386.db2.gz LPYYOHSMBPWHHY-PKOBYXMFSA-N 2 2 351.539 0.108 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001275176835 860979391 /nfs/dbraw/zinc/97/93/91/860979391.db2.gz LPYYOHSMBPWHHY-PKOBYXMFSA-N 2 2 351.539 0.108 20 0 FCADLP COCCOCN1CC[N@H+](CCC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280221372 863345412 /nfs/dbraw/zinc/34/54/12/863345412.db2.gz VKCWFFCZBRFDCZ-SFHVURJKSA-N 2 2 356.511 0.215 20 0 FCADLP COCCOCN1CC[N@@H+](CCC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001280221372 863345424 /nfs/dbraw/zinc/34/54/24/863345424.db2.gz VKCWFFCZBRFDCZ-SFHVURJKSA-N 2 2 356.511 0.215 20 0 FCADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001280246166 863357976 /nfs/dbraw/zinc/35/79/76/863357976.db2.gz RTQGDLBJPDUHFE-YQQQUEKLSA-N 3 2 354.539 0.829 20 0 FCADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001280246166 863357994 /nfs/dbraw/zinc/35/79/94/863357994.db2.gz RTQGDLBJPDUHFE-YQQQUEKLSA-N 3 2 354.539 0.829 20 0 FCADLP C[NH+]1CCN(CCC[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)CC1 ZINC001280245927 863358358 /nfs/dbraw/zinc/35/83/58/863358358.db2.gz MYVCAGORQHZSRZ-UHFFFAOYSA-N 2 2 363.428 0.656 20 0 FCADLP CCOCCn1nnnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001351043761 866765456 /nfs/dbraw/zinc/76/54/56/866765456.db2.gz XCYMKABAQDJBJD-UHFFFAOYSA-N 2 2 351.499 0.706 20 0 FCADLP CCOCCn1nnnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001351043761 866765474 /nfs/dbraw/zinc/76/54/74/866765474.db2.gz XCYMKABAQDJBJD-UHFFFAOYSA-N 2 2 351.499 0.706 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001312386484 867160718 /nfs/dbraw/zinc/16/07/18/867160718.db2.gz DVDSOAIWBSXZQV-OAHLLOKOSA-N 2 2 354.495 0.949 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001312386484 867160727 /nfs/dbraw/zinc/16/07/27/867160727.db2.gz DVDSOAIWBSXZQV-OAHLLOKOSA-N 2 2 354.495 0.949 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CC1 ZINC001353554011 867447537 /nfs/dbraw/zinc/44/75/37/867447537.db2.gz LZMGCICYYGLNRH-JCGIZDLHSA-N 2 2 351.491 0.713 20 0 FCADLP C[C@@H](CCS(C)(=O)=O)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001319158267 867841982 /nfs/dbraw/zinc/84/19/82/867841982.db2.gz UMYORVMZKCXPNZ-AWEZNQCLSA-N 2 2 374.551 0.667 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C(C)(C)C)o2)CC[N@@H+]1C ZINC001320230533 868116027 /nfs/dbraw/zinc/11/60/27/868116027.db2.gz KFPZOPPPNBQJEX-JHJVBQTASA-N 2 2 353.467 0.274 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2nnc(C(C)(C)C)o2)CC[N@H+]1C ZINC001320230533 868116037 /nfs/dbraw/zinc/11/60/37/868116037.db2.gz KFPZOPPPNBQJEX-JHJVBQTASA-N 2 2 353.467 0.274 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001321683180 868570300 /nfs/dbraw/zinc/57/03/00/868570300.db2.gz XZAUHJWLZJYJHW-CVEARBPZSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001321683180 868570304 /nfs/dbraw/zinc/57/03/04/868570304.db2.gz XZAUHJWLZJYJHW-CVEARBPZSA-N 2 2 372.535 0.421 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC001321791807 868612730 /nfs/dbraw/zinc/61/27/30/868612730.db2.gz VQMRCMQMGSDCSN-UHFFFAOYSA-N 2 2 351.451 0.007 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777918 868942499 /nfs/dbraw/zinc/94/24/99/868942499.db2.gz CJNINFXTLHBTIV-CHWSQXEVSA-N 2 2 358.433 0.575 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777918 868942506 /nfs/dbraw/zinc/94/25/06/868942506.db2.gz CJNINFXTLHBTIV-CHWSQXEVSA-N 2 2 358.433 0.575 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777927 868942592 /nfs/dbraw/zinc/94/25/92/868942592.db2.gz CJNINFXTLHBTIV-QWHCGFSZSA-N 2 2 358.433 0.575 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777927 868942596 /nfs/dbraw/zinc/94/25/96/868942596.db2.gz CJNINFXTLHBTIV-QWHCGFSZSA-N 2 2 358.433 0.575 20 0 FCADLP CN(CCC1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324881123 869702659 /nfs/dbraw/zinc/70/26/59/869702659.db2.gz LHVSKGNVQCZCMQ-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CCC1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324881123 869702662 /nfs/dbraw/zinc/70/26/62/869702662.db2.gz LHVSKGNVQCZCMQ-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP COCCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001325568197 869939248 /nfs/dbraw/zinc/93/92/48/869939248.db2.gz HPZVOIRGYHVMFS-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC001326200666 870207036 /nfs/dbraw/zinc/20/70/36/870207036.db2.gz OSIKREGOQQBXKH-KRWDZBQOSA-N 2 2 356.488 0.560 20 0 FCADLP CC(C)[C@H]1CCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345538349 871400051 /nfs/dbraw/zinc/40/00/51/871400051.db2.gz BWGRPBLSIZLSHO-QGZVFWFLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001328490578 871458292 /nfs/dbraw/zinc/45/82/92/871458292.db2.gz UULPCWYRNIDGAE-MRXNPFEDSA-N 2 2 350.507 0.779 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC001328490578 871458297 /nfs/dbraw/zinc/45/82/97/871458297.db2.gz UULPCWYRNIDGAE-MRXNPFEDSA-N 2 2 350.507 0.779 20 0 FCADLP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328923950 871715855 /nfs/dbraw/zinc/71/58/55/871715855.db2.gz WBMRUWDCWYEQLE-LSDHHAIUSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328923950 871715864 /nfs/dbraw/zinc/71/58/64/871715864.db2.gz WBMRUWDCWYEQLE-LSDHHAIUSA-N 2 2 350.507 0.776 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553849 871900765 /nfs/dbraw/zinc/90/07/65/871900765.db2.gz MKDOBBPBYWTYQB-QGZVFWFLSA-N 2 2 352.479 0.563 20 0 FCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCC[NH+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553849 871900778 /nfs/dbraw/zinc/90/07/78/871900778.db2.gz MKDOBBPBYWTYQB-QGZVFWFLSA-N 2 2 352.479 0.563 20 0 FCADLP C[NH+]1CCC[C@@]2(CCN(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553849 871900792 /nfs/dbraw/zinc/90/07/92/871900792.db2.gz MKDOBBPBYWTYQB-QGZVFWFLSA-N 2 2 352.479 0.563 20 0 FCADLP C[NH+]1CCC[C@@]2(CCN(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)C2)C1 ZINC001346553849 871900796 /nfs/dbraw/zinc/90/07/96/871900796.db2.gz MKDOBBPBYWTYQB-QGZVFWFLSA-N 2 2 352.479 0.563 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@H]1C[N@@H+](C)CCN1C ZINC001346606426 871930167 /nfs/dbraw/zinc/93/01/67/871930167.db2.gz MYRJBMGNEFXIAG-MWDXBVQZSA-N 2 2 353.511 0.125 20 0 FCADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@H]1C[N@H+](C)CCN1C ZINC001346606426 871930144 /nfs/dbraw/zinc/93/01/44/871930144.db2.gz MYRJBMGNEFXIAG-MWDXBVQZSA-N 2 2 353.511 0.125 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056821 872138235 /nfs/dbraw/zinc/13/82/35/872138235.db2.gz TZSCJZJRMILKDF-WBVHZDCISA-N 2 2 363.531 0.996 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056821 872138238 /nfs/dbraw/zinc/13/82/38/872138238.db2.gz TZSCJZJRMILKDF-WBVHZDCISA-N 2 2 363.531 0.996 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001330162028 872498877 /nfs/dbraw/zinc/49/88/77/872498877.db2.gz HAOZZSTZPPJDGB-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001330162028 872498890 /nfs/dbraw/zinc/49/88/90/872498890.db2.gz HAOZZSTZPPJDGB-AWEZNQCLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017483 872561992 /nfs/dbraw/zinc/56/19/92/872561992.db2.gz CPPORHYRFCLYBG-JSGCOSHPSA-N 2 2 350.471 0.081 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017483 872562000 /nfs/dbraw/zinc/56/20/00/872562000.db2.gz CPPORHYRFCLYBG-JSGCOSHPSA-N 2 2 350.471 0.081 20 0 FCADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017484 872562193 /nfs/dbraw/zinc/56/21/93/872562193.db2.gz CPPORHYRFCLYBG-OCCSQVGLSA-N 2 2 350.471 0.081 20 0 FCADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017484 872562201 /nfs/dbraw/zinc/56/22/01/872562201.db2.gz CPPORHYRFCLYBG-OCCSQVGLSA-N 2 2 350.471 0.081 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001348517262 872717889 /nfs/dbraw/zinc/71/78/89/872717889.db2.gz MEQLQUCUJZSALD-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001331934175 873308394 /nfs/dbraw/zinc/30/83/94/873308394.db2.gz WOBXPMJPPIWLME-HNNXBMFYSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001331934175 873308415 /nfs/dbraw/zinc/30/84/15/873308415.db2.gz WOBXPMJPPIWLME-HNNXBMFYSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c2)CC1 ZINC001331968524 873317304 /nfs/dbraw/zinc/31/73/04/873317304.db2.gz JGMZVSRNZAZPDX-INIZCTEOSA-N 2 2 368.503 0.135 20 0 FCADLP COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001332340835 873464869 /nfs/dbraw/zinc/46/48/69/873464869.db2.gz RGGGZGJXVNYPFV-ARFHVFGLSA-N 2 2 373.519 0.545 20 0 FCADLP CCOC(=O)CNC(=O)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC001332423426 873503013 /nfs/dbraw/zinc/50/30/13/873503013.db2.gz BNYHIHRZXPQTFW-UHFFFAOYSA-N 2 2 353.423 0.155 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+]1CCC[C@H](C(=O)[O-])C1 ZINC001332653824 873601186 /nfs/dbraw/zinc/60/11/86/873601186.db2.gz RFBQTPRFNMKWAD-HNNXBMFYSA-N 2 2 354.495 0.267 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+]1CCC[C@H](C(=O)[O-])C1 ZINC001332653824 873601188 /nfs/dbraw/zinc/60/11/88/873601188.db2.gz RFBQTPRFNMKWAD-HNNXBMFYSA-N 2 2 354.495 0.267 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001332653824 873601190 /nfs/dbraw/zinc/60/11/90/873601190.db2.gz RFBQTPRFNMKWAD-HNNXBMFYSA-N 2 2 354.495 0.267 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC001332653824 873601191 /nfs/dbraw/zinc/60/11/91/873601191.db2.gz RFBQTPRFNMKWAD-HNNXBMFYSA-N 2 2 354.495 0.267 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547394 946788611 /nfs/dbraw/zinc/78/86/11/946788611.db2.gz NWIVFZFKPVTWCP-CRAIPNDOSA-N 2 2 371.489 0.924 20 0 FCADLP CN1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000826017638 947404421 /nfs/dbraw/zinc/40/44/21/947404421.db2.gz MNIRMBANSMRSPD-INIZCTEOSA-N 2 2 355.446 0.651 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C[C@H]2COCCO2)CC1 ZINC000826513837 948438298 /nfs/dbraw/zinc/43/82/98/948438298.db2.gz XJWAGTQSSHIGLN-KRWDZBQOSA-N 2 2 358.446 0.836 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574923057 948930818 /nfs/dbraw/zinc/93/08/18/948930818.db2.gz BYLNIKLCKFBAEO-LLVKDONJSA-N 2 2 360.447 0.809 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574923248 948942669 /nfs/dbraw/zinc/94/26/69/948942669.db2.gz IFSNTUCOVRQLPP-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574923638 948956621 /nfs/dbraw/zinc/95/66/21/948956621.db2.gz QDILKYKQRWVDOR-CYBMUJFWSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574944566 949397091 /nfs/dbraw/zinc/39/70/91/949397091.db2.gz FMIVNKAVXILBQR-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574944566 949397097 /nfs/dbraw/zinc/39/70/97/949397097.db2.gz FMIVNKAVXILBQR-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574945789 949418651 /nfs/dbraw/zinc/41/86/51/949418651.db2.gz OEUXICQGPWNZJW-LLVKDONJSA-N 2 2 372.408 0.576 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574948893 949476063 /nfs/dbraw/zinc/47/60/63/949476063.db2.gz OBDVXHXJQOLFQO-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574948893 949476072 /nfs/dbraw/zinc/47/60/72/949476072.db2.gz OBDVXHXJQOLFQO-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708272 949487894 /nfs/dbraw/zinc/48/78/94/949487894.db2.gz VEYUXXJMZDQRPG-DOMZBBRYSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708272 949487907 /nfs/dbraw/zinc/48/79/07/949487907.db2.gz VEYUXXJMZDQRPG-DOMZBBRYSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575875296 949634509 /nfs/dbraw/zinc/63/45/09/949634509.db2.gz HZDZERSPNYFFBM-UKRRQHHQSA-N 2 2 370.461 0.831 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001570958122 949916182 /nfs/dbraw/zinc/91/61/82/949916182.db2.gz QKMCYYLOSKMHMM-OKILXGFUSA-N 2 2 352.402 0.569 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574728583 949996471 /nfs/dbraw/zinc/99/64/71/949996471.db2.gz DPAJWONRIZVHSS-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574732904 950078999 /nfs/dbraw/zinc/07/89/99/950078999.db2.gz MGTSZEWCFUYZIP-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574159630 950309257 /nfs/dbraw/zinc/30/92/57/950309257.db2.gz XAABNASNKIVZLE-CYBMUJFWSA-N 2 2 369.433 0.523 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907936 950349027 /nfs/dbraw/zinc/34/90/27/950349027.db2.gz RLOSOGXVPCZNAJ-GWCFXTLKSA-N 2 2 372.458 0.973 20 0 FCADLP CC[C@H](C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001570995586 950992081 /nfs/dbraw/zinc/99/20/81/950992081.db2.gz WVPZXSWJJQCVHK-CQSZACIVSA-N 2 2 358.450 0.641 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575077676 951674640 /nfs/dbraw/zinc/67/46/40/951674640.db2.gz IDLXWAKZKUEQQI-GFCCVEGCSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082014 951729575 /nfs/dbraw/zinc/72/95/75/951729575.db2.gz UHSBFQZWAXJBJA-NSHDSACASA-N 2 2 372.408 0.814 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575092526 951794108 /nfs/dbraw/zinc/79/41/08/951794108.db2.gz CYIZNQQXNXVONS-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102667 951870019 /nfs/dbraw/zinc/87/00/19/951870019.db2.gz NZUKHQNEFCCGNI-GFCCVEGCSA-N 2 2 372.408 0.744 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078897 952133841 /nfs/dbraw/zinc/13/38/41/952133841.db2.gz XFIAOZZVHVGMSI-MRXNPFEDSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078897 952133844 /nfs/dbraw/zinc/13/38/44/952133844.db2.gz XFIAOZZVHVGMSI-MRXNPFEDSA-N 2 2 370.461 0.831 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571103681 952357500 /nfs/dbraw/zinc/35/75/00/952357500.db2.gz ODROEGOWOHGCIS-LLVKDONJSA-N 2 2 372.458 0.595 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000293115585 214145925 /nfs/dbraw/zinc/14/59/25/214145925.db2.gz VBEYBVPJXQZWRX-AEFFLSMTSA-N 2 2 362.474 0.806 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293106553 214146272 /nfs/dbraw/zinc/14/62/72/214146272.db2.gz SJIVFFKBLKWCPM-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000294045481 214220007 /nfs/dbraw/zinc/22/00/07/214220007.db2.gz IXUNEEFQPJKEFW-ZHALLVOQSA-N 2 2 361.486 0.946 20 0 FCADLP C[NH+](C)CCn1nccc1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000294314666 214237930 /nfs/dbraw/zinc/23/79/30/214237930.db2.gz VKPPBLLXGGHAHJ-UHFFFAOYSA-N 2 2 373.461 0.998 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cn2cc[nH+]c12 ZINC000294546697 214251619 /nfs/dbraw/zinc/25/16/19/214251619.db2.gz AWJIGLBVPWOJFJ-GDBMZVCRSA-N 2 2 371.441 0.903 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577127 214306380 /nfs/dbraw/zinc/30/63/80/214306380.db2.gz VKWGSAURZIWNCU-RBUKOAKNSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577127 214306382 /nfs/dbraw/zinc/30/63/82/214306382.db2.gz VKWGSAURZIWNCU-RBUKOAKNSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000295577127 214306385 /nfs/dbraw/zinc/30/63/85/214306385.db2.gz VKWGSAURZIWNCU-RBUKOAKNSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000295577127 214306388 /nfs/dbraw/zinc/30/63/88/214306388.db2.gz VKWGSAURZIWNCU-RBUKOAKNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000297356841 214394675 /nfs/dbraw/zinc/39/46/75/214394675.db2.gz ONJMLNIAZDNLKS-UHFFFAOYSA-N 2 2 363.462 0.786 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265647296 210187743 /nfs/dbraw/zinc/18/77/43/210187743.db2.gz MLIQPBOPXOUDKU-BPQIPLTHSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265647296 210187747 /nfs/dbraw/zinc/18/77/47/210187747.db2.gz MLIQPBOPXOUDKU-BPQIPLTHSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCN(C)C1=O ZINC000265647296 210187750 /nfs/dbraw/zinc/18/77/50/210187750.db2.gz MLIQPBOPXOUDKU-BPQIPLTHSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)[C@@H]1CCN(C)C1=O ZINC000265647296 210187754 /nfs/dbraw/zinc/18/77/54/210187754.db2.gz MLIQPBOPXOUDKU-BPQIPLTHSA-N 2 2 358.486 0.928 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410434449 529907646 /nfs/dbraw/zinc/90/76/46/529907646.db2.gz ONHKFKGBRMBQPU-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410434449 529907648 /nfs/dbraw/zinc/90/76/48/529907648.db2.gz ONHKFKGBRMBQPU-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265434654 210134365 /nfs/dbraw/zinc/13/43/65/210134365.db2.gz OAVLXRLQBILCHM-UHFFFAOYSA-N 2 2 362.478 0.716 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265434654 210134368 /nfs/dbraw/zinc/13/43/68/210134368.db2.gz OAVLXRLQBILCHM-UHFFFAOYSA-N 2 2 362.478 0.716 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCSC3)CC2)CC1 ZINC000331493250 215004945 /nfs/dbraw/zinc/00/49/45/215004945.db2.gz RPFJZQLKRPKHHT-CQSZACIVSA-N 2 2 354.520 0.283 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000331661267 215030009 /nfs/dbraw/zinc/03/00/09/215030009.db2.gz UNENUSVFRAEWQB-QQFBHYJXSA-N 2 2 351.495 0.594 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265204966 210074033 /nfs/dbraw/zinc/07/40/33/210074033.db2.gz KITVVBMEDBPJQI-LJQANCHMSA-N 2 2 361.486 0.804 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265204966 210074035 /nfs/dbraw/zinc/07/40/35/210074035.db2.gz KITVVBMEDBPJQI-LJQANCHMSA-N 2 2 361.486 0.804 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000331758647 215043875 /nfs/dbraw/zinc/04/38/75/215043875.db2.gz AUFIBEGGOAWUAA-UHFFFAOYSA-N 2 2 374.485 0.459 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000331827114 215052797 /nfs/dbraw/zinc/05/27/97/215052797.db2.gz RHBMRAYVJJCTSB-RYRKJORJSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000331827114 215052801 /nfs/dbraw/zinc/05/28/01/215052801.db2.gz RHBMRAYVJJCTSB-RYRKJORJSA-N 2 2 358.486 0.581 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000331992017 215077543 /nfs/dbraw/zinc/07/75/43/215077543.db2.gz ATLIYLVTTLQKBA-HOTGVXAUSA-N 2 2 359.474 0.638 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000331992017 215077547 /nfs/dbraw/zinc/07/75/47/215077547.db2.gz ATLIYLVTTLQKBA-HOTGVXAUSA-N 2 2 359.474 0.638 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332065600 215086390 /nfs/dbraw/zinc/08/63/90/215086390.db2.gz RTQGLAJUWIAJDC-DLBZAZTESA-N 2 2 366.506 0.035 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)c1nc(CNC(=O)[C@@H]2CCC[NH+]2C)cs1 ZINC000265007407 210036691 /nfs/dbraw/zinc/03/66/91/210036691.db2.gz YWNWYDHIEPYDRH-KBPBESRZSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)c1nc(CNC(=O)[C@@H]2CCC[NH+]2C)cs1 ZINC000265007407 210036697 /nfs/dbraw/zinc/03/66/97/210036697.db2.gz YWNWYDHIEPYDRH-KBPBESRZSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC000265007407 210036703 /nfs/dbraw/zinc/03/67/03/210036703.db2.gz YWNWYDHIEPYDRH-KBPBESRZSA-N 2 2 365.503 0.911 20 0 FCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)c1nc(CNC(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC000265007407 210036709 /nfs/dbraw/zinc/03/67/09/210036709.db2.gz YWNWYDHIEPYDRH-KBPBESRZSA-N 2 2 365.503 0.911 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)CC1 ZINC000332181570 215105992 /nfs/dbraw/zinc/10/59/92/215105992.db2.gz ZBYPUNVBCYZYFS-WBVHZDCISA-N 2 2 359.474 0.447 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000264848894 210001064 /nfs/dbraw/zinc/00/10/64/210001064.db2.gz MQXWRNFEHQWULS-LJQANCHMSA-N 2 2 359.518 0.802 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000264848894 210001070 /nfs/dbraw/zinc/00/10/70/210001070.db2.gz MQXWRNFEHQWULS-LJQANCHMSA-N 2 2 359.518 0.802 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332368720 215138469 /nfs/dbraw/zinc/13/84/69/215138469.db2.gz UURPVIAGTULJQP-QBPKDAKJSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000332470118 215158236 /nfs/dbraw/zinc/15/82/36/215158236.db2.gz MUBWYWUNNBKDGK-ZIAGYGMSSA-N 2 2 350.488 0.774 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC000332512113 215164600 /nfs/dbraw/zinc/16/46/00/215164600.db2.gz DXRPPVLGCBRDAW-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]1 ZINC000332512113 215164603 /nfs/dbraw/zinc/16/46/03/215164603.db2.gz DXRPPVLGCBRDAW-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000332528952 215169161 /nfs/dbraw/zinc/16/91/61/215169161.db2.gz OWSMSTHIWHRJOU-IAGOWNOFSA-N 2 2 358.486 0.848 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)N1CC[NH+](C)CC1 ZINC000332542687 215175644 /nfs/dbraw/zinc/17/56/44/215175644.db2.gz XZOWJHUXAZJEJN-INIZCTEOSA-N 2 2 373.501 0.066 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@H]1C ZINC000332551513 215177366 /nfs/dbraw/zinc/17/73/66/215177366.db2.gz PVBLXNZEDSLBCQ-SJORKVTESA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)C[C@H]1C ZINC000332551513 215177371 /nfs/dbraw/zinc/17/73/71/215177371.db2.gz PVBLXNZEDSLBCQ-SJORKVTESA-N 2 2 373.501 0.980 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@@H]1C ZINC000332581067 215184265 /nfs/dbraw/zinc/18/42/65/215184265.db2.gz FSOAKVOHGISXOM-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@@H]1C ZINC000332581067 215184269 /nfs/dbraw/zinc/18/42/69/215184269.db2.gz FSOAKVOHGISXOM-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C[C@@H]1C ZINC000332581067 215184270 /nfs/dbraw/zinc/18/42/70/215184270.db2.gz FSOAKVOHGISXOM-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C[C@@H]1C ZINC000332581067 215184273 /nfs/dbraw/zinc/18/42/73/215184273.db2.gz FSOAKVOHGISXOM-GVDBMIGSSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)C[C@@H]1C ZINC000332596278 215185963 /nfs/dbraw/zinc/18/59/63/215185963.db2.gz KZLCJWXNGPVYEW-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)C[C@@H]1C ZINC000332596278 215185965 /nfs/dbraw/zinc/18/59/65/215185965.db2.gz KZLCJWXNGPVYEW-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)C[C@@H]1C ZINC000332596278 215185968 /nfs/dbraw/zinc/18/59/68/215185968.db2.gz KZLCJWXNGPVYEW-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)C[C@@H]1C ZINC000332596278 215185970 /nfs/dbraw/zinc/18/59/70/215185970.db2.gz KZLCJWXNGPVYEW-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332665249 215200952 /nfs/dbraw/zinc/20/09/52/215200952.db2.gz PAENFFXAZMWKNN-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332665249 215200954 /nfs/dbraw/zinc/20/09/54/215200954.db2.gz PAENFFXAZMWKNN-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332699754 215205059 /nfs/dbraw/zinc/20/50/59/215205059.db2.gz VVWXORDWFDLPNW-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332709609 215206488 /nfs/dbraw/zinc/20/64/88/215206488.db2.gz YMUDJYFDSPEWPE-UXLLHSPISA-N 2 2 366.506 0.141 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@H]([NH3+])C3)c2)CC1 ZINC000333077705 215232773 /nfs/dbraw/zinc/23/27/73/215232773.db2.gz AFFFYJGSCXPVMY-ZDUSSCGKSA-N 2 2 367.475 0.188 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1c(F)cccc1F ZINC000333145602 215242550 /nfs/dbraw/zinc/24/25/50/215242550.db2.gz DPJDLJJZJKXIGW-BZNIZROVSA-N 2 2 352.385 0.387 20 0 FCADLP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1[NH+]1CCOCC1 ZINC000333318881 215262633 /nfs/dbraw/zinc/26/26/33/215262633.db2.gz WOYZIXXMQYCRSM-ZFWWWQNUSA-N 2 2 350.467 0.348 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333494034 215288327 /nfs/dbraw/zinc/28/83/27/215288327.db2.gz DPLPRQBLUGRAJD-HZPDHXFCSA-N 2 2 351.495 0.324 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000333531493 215294443 /nfs/dbraw/zinc/29/44/43/215294443.db2.gz YDEZKOQGSVCIJO-AWEZNQCLSA-N 2 2 373.505 0.978 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333638304 215303472 /nfs/dbraw/zinc/30/34/72/215303472.db2.gz HSQCYSWHOBPSGH-GZOSKZMVSA-N 2 2 371.547 0.921 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000333689264 215308716 /nfs/dbraw/zinc/30/87/16/215308716.db2.gz PORJTMOZTJZHGQ-IRXDYDNUSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000333695406 215309223 /nfs/dbraw/zinc/30/92/23/215309223.db2.gz QDTKBMPTGGCCCL-IKGGRYGDSA-N 2 2 365.522 0.985 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333733311 215313692 /nfs/dbraw/zinc/31/36/92/215313692.db2.gz IATXYNJBQYCDJM-KLAILNCOSA-N 2 2 353.511 0.223 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)cn21 ZINC000333798342 215319904 /nfs/dbraw/zinc/31/99/04/215319904.db2.gz NQTKSBIJQJZVJH-INIZCTEOSA-N 2 2 370.457 0.749 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)CC[NH2+]1 ZINC000333810945 215321424 /nfs/dbraw/zinc/32/14/24/215321424.db2.gz JHIUUPYIKMAUDC-IXDOHACOSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333851177 215324128 /nfs/dbraw/zinc/32/41/28/215324128.db2.gz QBBTZRLBSMHRMY-JYJNAYRXSA-N 2 2 351.495 0.465 20 0 FCADLP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000333846553 215324567 /nfs/dbraw/zinc/32/45/67/215324567.db2.gz MLCAMMOXCYSKNM-OAHLLOKOSA-N 2 2 356.492 0.987 20 0 FCADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000333874259 215327184 /nfs/dbraw/zinc/32/71/84/215327184.db2.gz CGQBOBRRRWYEEE-HZPDHXFCSA-N 2 2 373.501 0.966 20 0 FCADLP C[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000333889049 215328375 /nfs/dbraw/zinc/32/83/75/215328375.db2.gz GNSVJTNYSKRUHS-HOTGVXAUSA-N 2 2 373.501 0.966 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC000334051368 215340019 /nfs/dbraw/zinc/34/00/19/215340019.db2.gz SACPPNXSWBKQLG-HNNXBMFYSA-N 2 2 372.535 0.039 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000285552699 213358059 /nfs/dbraw/zinc/35/80/59/213358059.db2.gz IQZLMTSVJZCBTL-MRXNPFEDSA-N 2 2 365.478 0.171 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000285548144 213356740 /nfs/dbraw/zinc/35/67/40/213356740.db2.gz IIHPYPXNSPFKLN-AWEZNQCLSA-N 2 2 359.474 0.897 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336193 213326407 /nfs/dbraw/zinc/32/64/07/213326407.db2.gz CHPLOXRYFLXNSD-UHFFFAOYSA-N 2 2 361.490 0.582 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336193 213326409 /nfs/dbraw/zinc/32/64/09/213326409.db2.gz CHPLOXRYFLXNSD-UHFFFAOYSA-N 2 2 361.490 0.582 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000285301005 213320160 /nfs/dbraw/zinc/32/01/60/213320160.db2.gz VTGTZLYFHLPORJ-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000285301005 213320163 /nfs/dbraw/zinc/32/01/63/213320163.db2.gz VTGTZLYFHLPORJ-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000285084415 213279693 /nfs/dbraw/zinc/27/96/93/213279693.db2.gz JSLHNXKQAZYFND-CQSZACIVSA-N 2 2 355.442 0.859 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000285084415 213279696 /nfs/dbraw/zinc/27/96/96/213279696.db2.gz JSLHNXKQAZYFND-CQSZACIVSA-N 2 2 355.442 0.859 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285033908 213269293 /nfs/dbraw/zinc/26/92/93/213269293.db2.gz NHYXAGRVGDGPDG-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000285033908 213269294 /nfs/dbraw/zinc/26/92/94/213269294.db2.gz NHYXAGRVGDGPDG-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@@H]21 ZINC000285039809 213270558 /nfs/dbraw/zinc/27/05/58/213270558.db2.gz IBOOAMPXRQECSP-HOTGVXAUSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@@H]21 ZINC000285039809 213270561 /nfs/dbraw/zinc/27/05/61/213270561.db2.gz IBOOAMPXRQECSP-HOTGVXAUSA-N 2 2 359.474 0.943 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000284802472 213224970 /nfs/dbraw/zinc/22/49/70/213224970.db2.gz LBWBCTJPAYHGPS-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)c1 ZINC000262948555 209682901 /nfs/dbraw/zinc/68/29/01/209682901.db2.gz VFRSTSWJMCJRBK-MRXNPFEDSA-N 2 2 351.447 0.712 20 0 FCADLP C[C@H](CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000284513687 213159001 /nfs/dbraw/zinc/15/90/01/213159001.db2.gz STHOWDWIWSBQQK-HUUCEWRRSA-N 2 2 366.462 0.083 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000284513685 213158321 /nfs/dbraw/zinc/15/83/21/213158321.db2.gz STHOWDWIWSBQQK-GJZGRUSLSA-N 2 2 366.462 0.083 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)c1cccs1 ZINC000284518172 213157857 /nfs/dbraw/zinc/15/78/57/213157857.db2.gz SXVQGDZWUPGMKU-ZDUSSCGKSA-N 2 2 370.544 0.632 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@H+](C)C1CC1 ZINC000284491690 213153860 /nfs/dbraw/zinc/15/38/60/213153860.db2.gz PJKIPZXDBFFTQF-AWEZNQCLSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@@H+](C)C1CC1 ZINC000284491690 213153861 /nfs/dbraw/zinc/15/38/61/213153861.db2.gz PJKIPZXDBFFTQF-AWEZNQCLSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000284484209 213149592 /nfs/dbraw/zinc/14/95/92/213149592.db2.gz RLVTXOJRKSANSD-CABCVRRESA-N 2 2 366.462 0.178 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c[nH+]1 ZINC000284425316 213137183 /nfs/dbraw/zinc/13/71/83/213137183.db2.gz OKNLFQRRJIFZPU-CQSZACIVSA-N 2 2 359.430 0.776 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000284412153 213134088 /nfs/dbraw/zinc/13/40/88/213134088.db2.gz JMQGWEJZWKABSQ-UHFFFAOYSA-N 2 2 373.457 0.635 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000284392139 213129328 /nfs/dbraw/zinc/12/93/28/213129328.db2.gz MTCPOAZJXKMKIH-UHFFFAOYSA-N 2 2 363.462 0.274 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000284159089 213087284 /nfs/dbraw/zinc/08/72/84/213087284.db2.gz YKCVLUPDILGARY-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000284159089 213087288 /nfs/dbraw/zinc/08/72/88/213087288.db2.gz YKCVLUPDILGARY-AWEZNQCLSA-N 2 2 373.457 0.254 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000284132299 213081218 /nfs/dbraw/zinc/08/12/18/213081218.db2.gz WZVPHIKQRGFRBR-UHFFFAOYSA-N 2 2 366.425 0.755 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000284049417 213063342 /nfs/dbraw/zinc/06/33/42/213063342.db2.gz NWLHWAYSLLVBJV-UHFFFAOYSA-N 2 2 361.490 0.965 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000284037573 213061192 /nfs/dbraw/zinc/06/11/92/213061192.db2.gz OUNSMXGMYMDLJM-KBPBESRZSA-N 2 2 365.478 0.312 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283951845 213041833 /nfs/dbraw/zinc/04/18/33/213041833.db2.gz MWTNVIQSBQDVSZ-KBPBESRZSA-N 2 2 351.451 0.003 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000283937990 213038970 /nfs/dbraw/zinc/03/89/70/213038970.db2.gz NOHHMISKQILVAJ-INIZCTEOSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000283937990 213038972 /nfs/dbraw/zinc/03/89/72/213038972.db2.gz NOHHMISKQILVAJ-INIZCTEOSA-N 2 2 369.469 0.952 20 0 FCADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCn3cc[nH+]c3)C2)CC1 ZINC000283931226 213037461 /nfs/dbraw/zinc/03/74/61/213037461.db2.gz MBJHMNRSTPRPGT-KRWDZBQOSA-N 2 2 361.490 0.970 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2C)c[nH+]1 ZINC000283931342 213036980 /nfs/dbraw/zinc/03/69/80/213036980.db2.gz FNIQLNDSQMGCGT-UHFFFAOYSA-N 2 2 358.446 0.865 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000283911723 213033295 /nfs/dbraw/zinc/03/32/95/213033295.db2.gz LGHKLROFISRIPP-UHFFFAOYSA-N 2 2 371.441 0.274 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000283924949 213035862 /nfs/dbraw/zinc/03/58/62/213035862.db2.gz DUQJRECLDVCHTA-QGZVFWFLSA-N 2 2 371.485 0.767 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000283927543 213035678 /nfs/dbraw/zinc/03/56/78/213035678.db2.gz DUSKDNXIJNKGOA-ZIAGYGMSSA-N 2 2 368.503 0.304 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000283866818 213022561 /nfs/dbraw/zinc/02/25/61/213022561.db2.gz BVHLUUUYSIOCJS-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000283855292 213021669 /nfs/dbraw/zinc/02/16/69/213021669.db2.gz GTQISTNIRVVCHK-UHFFFAOYSA-N 2 2 357.458 0.936 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000283855292 213021673 /nfs/dbraw/zinc/02/16/73/213021673.db2.gz GTQISTNIRVVCHK-UHFFFAOYSA-N 2 2 357.458 0.936 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000283759627 213005008 /nfs/dbraw/zinc/00/50/08/213005008.db2.gz BGVISKUAHIVPLU-OAHLLOKOSA-N 2 2 365.478 0.205 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000411929205 237109959 /nfs/dbraw/zinc/10/99/59/237109959.db2.gz DHPXLYNVDNMOQW-HNNXBMFYSA-N 2 2 364.515 0.802 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000411929205 237109970 /nfs/dbraw/zinc/10/99/70/237109970.db2.gz DHPXLYNVDNMOQW-HNNXBMFYSA-N 2 2 364.515 0.802 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000411935264 237113521 /nfs/dbraw/zinc/11/35/21/237113521.db2.gz DKNSIBBWWRFTLF-MRXNPFEDSA-N 2 2 364.515 0.802 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000411935264 237113525 /nfs/dbraw/zinc/11/35/25/237113525.db2.gz DKNSIBBWWRFTLF-MRXNPFEDSA-N 2 2 364.515 0.802 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000413383241 237323322 /nfs/dbraw/zinc/32/33/22/237323322.db2.gz NHVWLUZXIRJBDX-UHFFFAOYSA-N 2 2 361.446 0.823 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000367026796 216066410 /nfs/dbraw/zinc/06/64/10/216066410.db2.gz CRHHQMJFVLWSBP-QYZOEREBSA-N 3 2 365.566 0.497 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000367026796 216066413 /nfs/dbraw/zinc/06/64/13/216066413.db2.gz CRHHQMJFVLWSBP-QYZOEREBSA-N 3 2 365.566 0.497 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000367584812 216139695 /nfs/dbraw/zinc/13/96/95/216139695.db2.gz BUUJGSUOUUZHMV-ULQDDVLXSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685408 209396389 /nfs/dbraw/zinc/39/63/89/209396389.db2.gz JBPIMGCKUNSATR-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685408 209396392 /nfs/dbraw/zinc/39/63/92/209396392.db2.gz JBPIMGCKUNSATR-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685408 209396394 /nfs/dbraw/zinc/39/63/94/209396394.db2.gz JBPIMGCKUNSATR-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000246685408 209396396 /nfs/dbraw/zinc/39/63/96/209396396.db2.gz JBPIMGCKUNSATR-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000246567131 209393952 /nfs/dbraw/zinc/39/39/52/209393952.db2.gz GCDDGAGFIUZFLN-KSZLIROESA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245572810 209369308 /nfs/dbraw/zinc/36/93/08/209369308.db2.gz HAYHFOFEHXALEI-HUUCEWRRSA-N 2 2 371.507 0.164 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245572810 209369312 /nfs/dbraw/zinc/36/93/12/209369312.db2.gz HAYHFOFEHXALEI-HUUCEWRRSA-N 2 2 371.507 0.164 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1=O ZINC000245412953 209366557 /nfs/dbraw/zinc/36/65/57/209366557.db2.gz ARJGCEPKPBPNKE-YESZJQIVSA-N 2 2 361.490 0.968 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1=O ZINC000245412953 209366560 /nfs/dbraw/zinc/36/65/60/209366560.db2.gz ARJGCEPKPBPNKE-YESZJQIVSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202918 209365617 /nfs/dbraw/zinc/36/56/17/209365617.db2.gz XGCIVEFDXGMDBA-IXDOHACOSA-N 2 2 360.506 0.976 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202918 209365620 /nfs/dbraw/zinc/36/56/20/209365620.db2.gz XGCIVEFDXGMDBA-IXDOHACOSA-N 2 2 360.506 0.976 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246229869 209382957 /nfs/dbraw/zinc/38/29/57/209382957.db2.gz HONATVDUFFKUOF-VDZJLULYSA-N 2 2 374.485 0.372 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246179015 209381742 /nfs/dbraw/zinc/38/17/42/209381742.db2.gz UKHRISGQVCWQTM-IRXDYDNUSA-N 2 2 359.474 0.943 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000246179015 209381744 /nfs/dbraw/zinc/38/17/44/209381744.db2.gz UKHRISGQVCWQTM-IRXDYDNUSA-N 2 2 359.474 0.943 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(=O)OCC1CC1 ZINC000237836674 209359113 /nfs/dbraw/zinc/35/91/13/209359113.db2.gz WFECAYQZISTNCW-KRWDZBQOSA-N 2 2 356.426 0.871 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237775703 209357714 /nfs/dbraw/zinc/35/77/14/209357714.db2.gz XBJKUWWCWLBILS-JKSUJKDBSA-N 2 2 368.547 0.627 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237735787 209356382 /nfs/dbraw/zinc/35/63/82/209356382.db2.gz IRUKLPKMMRBARW-OAHLLOKOSA-N 2 2 351.414 0.712 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237735287 209356288 /nfs/dbraw/zinc/35/62/88/209356288.db2.gz IRUKLPKMMRBARW-HNNXBMFYSA-N 2 2 351.414 0.712 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237524536 209354438 /nfs/dbraw/zinc/35/44/38/209354438.db2.gz PSFNPLMMXYAANY-KSSFIOAISA-N 2 2 356.470 0.512 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237491890 209352791 /nfs/dbraw/zinc/35/27/91/209352791.db2.gz OBBHJUFBXRMJTF-GJZGRUSLSA-N 2 2 354.520 0.237 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000237443525 209352259 /nfs/dbraw/zinc/35/22/59/209352259.db2.gz HCLNJHHCDASSOJ-FQEVSTJZSA-N 2 2 374.485 0.569 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237487977 209351971 /nfs/dbraw/zinc/35/19/71/209351971.db2.gz PFRIJDZKSQKUHS-INIZCTEOSA-N 2 2 350.507 0.921 20 0 FCADLP C[NH2+]CCCC(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000237183385 209349198 /nfs/dbraw/zinc/34/91/98/209349198.db2.gz KLWOVRGHCYQUMO-UHFFFAOYSA-N 2 2 368.503 0.239 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000236812686 209344048 /nfs/dbraw/zinc/34/40/48/209344048.db2.gz RHUHWMDRBNSPCS-OAHLLOKOSA-N 2 2 354.476 0.689 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236848782 209344069 /nfs/dbraw/zinc/34/40/69/209344069.db2.gz RVTJOEGOFQIBNW-GOSISDBHSA-N 2 2 358.486 0.808 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000236690772 209343330 /nfs/dbraw/zinc/34/33/30/209343330.db2.gz IIKUEVQFUGEOTK-MRXNPFEDSA-N 2 2 350.467 0.289 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360939 216238286 /nfs/dbraw/zinc/23/82/86/216238286.db2.gz LFKFEEXIBUWTGA-MSOLQXFVSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360939 216238289 /nfs/dbraw/zinc/23/82/89/216238289.db2.gz LFKFEEXIBUWTGA-MSOLQXFVSA-N 2 2 359.474 0.772 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C(=O)NCC[C@H]3C)CC2)c1 ZINC000193565274 209315453 /nfs/dbraw/zinc/31/54/53/209315453.db2.gz TZGLHDWZGCWEJK-VQIMIIECSA-N 2 2 358.486 0.753 20 0 FCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000193608586 209314785 /nfs/dbraw/zinc/31/47/85/209314785.db2.gz VSMHMDFZIIWDGC-KSSFIOAISA-N 2 2 360.458 0.572 20 0 FCADLP C[NH+]1CCC([C@H]2CCN(S(=O)(=O)CCC[NH+]3CCOCC3)C2)CC1 ZINC000368392565 216243031 /nfs/dbraw/zinc/24/30/31/216243031.db2.gz GUUCDWQOTNVADG-KRWDZBQOSA-N 2 2 359.536 0.702 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCc2ccccc21 ZINC000368680624 216280871 /nfs/dbraw/zinc/28/08/71/216280871.db2.gz OGWHYYHHFOZHHO-UHFFFAOYSA-N 2 2 359.470 0.735 20 0 FCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000192111618 209296372 /nfs/dbraw/zinc/29/63/72/209296372.db2.gz IQXSWGCXWWROHZ-UONOGXRCSA-N 2 2 350.438 0.683 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000369248986 216370566 /nfs/dbraw/zinc/37/05/66/216370566.db2.gz GWGMLKYZWCQLSX-RYQLBKOJSA-N 2 2 363.506 0.861 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000369248986 216370567 /nfs/dbraw/zinc/37/05/67/216370567.db2.gz GWGMLKYZWCQLSX-RYQLBKOJSA-N 2 2 363.506 0.861 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)NCc3ccco3)C2)CC1 ZINC000369273158 216373465 /nfs/dbraw/zinc/37/34/65/216373465.db2.gz FUICGVILHXXKOT-AWEZNQCLSA-N 2 2 363.462 0.364 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)NCc3ccco3)C2)CC1 ZINC000369273158 216373470 /nfs/dbraw/zinc/37/34/70/216373470.db2.gz FUICGVILHXXKOT-AWEZNQCLSA-N 2 2 363.462 0.364 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3csc(S(N)(=O)=O)c3)C2)CC1 ZINC000369272794 216373568 /nfs/dbraw/zinc/37/35/68/216373568.db2.gz CVKDSUNSCFQNSU-LBPRGKRZSA-N 2 2 372.516 0.294 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csc(S(N)(=O)=O)c3)C2)CC1 ZINC000369272794 216373571 /nfs/dbraw/zinc/37/35/71/216373571.db2.gz CVKDSUNSCFQNSU-LBPRGKRZSA-N 2 2 372.516 0.294 20 0 FCADLP Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273924 216374949 /nfs/dbraw/zinc/37/49/49/216374949.db2.gz KWHCSOUUEJJCMH-ZDUSSCGKSA-N 2 2 373.457 0.733 20 0 FCADLP Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273924 216374952 /nfs/dbraw/zinc/37/49/52/216374952.db2.gz KWHCSOUUEJJCMH-ZDUSSCGKSA-N 2 2 373.457 0.733 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275570 216376326 /nfs/dbraw/zinc/37/63/26/216376326.db2.gz BVXCJQUCYOHHKQ-CVEARBPZSA-N 2 2 374.485 0.913 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275570 216376330 /nfs/dbraw/zinc/37/63/30/216376330.db2.gz BVXCJQUCYOHHKQ-CVEARBPZSA-N 2 2 374.485 0.913 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275572 216376450 /nfs/dbraw/zinc/37/64/50/216376450.db2.gz BVXCJQUCYOHHKQ-HZPDHXFCSA-N 2 2 374.485 0.913 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275572 216376453 /nfs/dbraw/zinc/37/64/53/216376453.db2.gz BVXCJQUCYOHHKQ-HZPDHXFCSA-N 2 2 374.485 0.913 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000369278867 216376884 /nfs/dbraw/zinc/37/68/84/216376884.db2.gz TTWHRNFAKXAFCU-MRXNPFEDSA-N 2 2 369.473 0.490 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)CC1 ZINC000369278867 216376888 /nfs/dbraw/zinc/37/68/88/216376888.db2.gz TTWHRNFAKXAFCU-MRXNPFEDSA-N 2 2 369.473 0.490 20 0 FCADLP Cc1ccn2c(c1)ncc(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)c2=O ZINC000369274552 216377259 /nfs/dbraw/zinc/37/72/59/216377259.db2.gz QAWVVBNOEBUKNI-HNNXBMFYSA-N 2 2 369.469 0.901 20 0 FCADLP Cc1ccn2c(c1)ncc(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)c2=O ZINC000369274552 216377261 /nfs/dbraw/zinc/37/72/61/216377261.db2.gz QAWVVBNOEBUKNI-HNNXBMFYSA-N 2 2 369.469 0.901 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)Cc3ccccc3)C2)CC1 ZINC000369275424 216377438 /nfs/dbraw/zinc/37/74/38/216377438.db2.gz XMAHYIKXRCMBOL-KRWDZBQOSA-N 2 2 358.486 0.630 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)Cc3ccccc3)C2)CC1 ZINC000369275424 216377442 /nfs/dbraw/zinc/37/74/42/216377442.db2.gz XMAHYIKXRCMBOL-KRWDZBQOSA-N 2 2 358.486 0.630 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343382 216386883 /nfs/dbraw/zinc/38/68/83/216386883.db2.gz CRVVOOLTUBSYQP-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343382 216386886 /nfs/dbraw/zinc/38/68/86/216386886.db2.gz CRVVOOLTUBSYQP-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000190377357 209271236 /nfs/dbraw/zinc/27/12/36/209271236.db2.gz UGLHNBWOOMTPTE-QGZVFWFLSA-N 2 2 374.551 0.037 20 0 FCADLP CN(CCN1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372046 216390923 /nfs/dbraw/zinc/39/09/23/216390923.db2.gz GIWFAZVJRIRNRB-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP CN(CCN1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372046 216390928 /nfs/dbraw/zinc/39/09/28/216390928.db2.gz GIWFAZVJRIRNRB-INIZCTEOSA-N 2 2 353.511 0.129 20 0 FCADLP CC(=O)N1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372418 216391748 /nfs/dbraw/zinc/39/17/48/216391748.db2.gz IZDFPRUIQOEGTH-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CC(=O)N1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372418 216391750 /nfs/dbraw/zinc/39/17/50/216391750.db2.gz IZDFPRUIQOEGTH-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CC(=O)NCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372688 216391919 /nfs/dbraw/zinc/39/19/19/216391919.db2.gz KYVXGTIRXSOFSA-QGZVFWFLSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)NCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372688 216391921 /nfs/dbraw/zinc/39/19/21/216391921.db2.gz KYVXGTIRXSOFSA-QGZVFWFLSA-N 2 2 365.522 0.713 20 0 FCADLP CN(CCN1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372050 216392100 /nfs/dbraw/zinc/39/21/00/216392100.db2.gz GIWFAZVJRIRNRB-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP CN(CCN1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372050 216392104 /nfs/dbraw/zinc/39/21/04/216392104.db2.gz GIWFAZVJRIRNRB-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP COC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369361977 216390092 /nfs/dbraw/zinc/39/00/92/216390092.db2.gz BSLADLRVSMXMFH-OAHLLOKOSA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369361977 216390095 /nfs/dbraw/zinc/39/00/95/216390095.db2.gz BSLADLRVSMXMFH-OAHLLOKOSA-N 2 2 352.479 0.750 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369392305 216393601 /nfs/dbraw/zinc/39/36/01/216393601.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369392305 216393604 /nfs/dbraw/zinc/39/36/04/216393604.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392305 216393606 /nfs/dbraw/zinc/39/36/06/216393606.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392305 216393608 /nfs/dbraw/zinc/39/36/08/216393608.db2.gz GYINZZIGTWKLGM-INIZCTEOSA-N 3 2 355.527 0.422 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000189753421 209259423 /nfs/dbraw/zinc/25/94/23/209259423.db2.gz HZBBNSOWSSCHGD-HKUYNNGSSA-N 2 2 360.502 0.500 20 0 FCADLP COC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000189385045 209250638 /nfs/dbraw/zinc/25/06/38/209250638.db2.gz ULOUMVQATPFJHI-IAGOWNOFSA-N 2 2 362.474 0.856 20 0 FCADLP COC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000189385045 209250641 /nfs/dbraw/zinc/25/06/41/209250641.db2.gz ULOUMVQATPFJHI-IAGOWNOFSA-N 2 2 362.474 0.856 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188282908 209228790 /nfs/dbraw/zinc/22/87/90/209228790.db2.gz RGZYLDSEVFGANJ-LJQANCHMSA-N 2 2 362.474 0.791 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188282908 209228798 /nfs/dbraw/zinc/22/87/98/209228798.db2.gz RGZYLDSEVFGANJ-LJQANCHMSA-N 2 2 362.474 0.791 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188282908 209228801 /nfs/dbraw/zinc/22/88/01/209228801.db2.gz RGZYLDSEVFGANJ-LJQANCHMSA-N 2 2 362.474 0.791 20 0 FCADLP COCC[C@@]1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000370773735 216614614 /nfs/dbraw/zinc/61/46/14/216614614.db2.gz PEXXBKVBRKTPPX-APWZRJJASA-N 2 2 366.506 0.158 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000187951449 209221447 /nfs/dbraw/zinc/22/14/47/209221447.db2.gz JMIMOEPBDSZEFY-RRFJBIMHSA-N 2 2 353.488 0.957 20 0 FCADLP C[C@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000187269222 209209370 /nfs/dbraw/zinc/20/93/70/209209370.db2.gz SPBJNYHPRUWVTJ-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000187269222 209209373 /nfs/dbraw/zinc/20/93/73/209209373.db2.gz SPBJNYHPRUWVTJ-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000187269222 209209376 /nfs/dbraw/zinc/20/93/76/209209376.db2.gz SPBJNYHPRUWVTJ-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000187269222 209209380 /nfs/dbraw/zinc/20/93/80/209209380.db2.gz SPBJNYHPRUWVTJ-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000187094805 209206650 /nfs/dbraw/zinc/20/66/50/209206650.db2.gz QWJYYGLCGUHPLF-UHFFFAOYSA-N 2 2 364.490 0.632 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000187094805 209206652 /nfs/dbraw/zinc/20/66/52/209206652.db2.gz QWJYYGLCGUHPLF-UHFFFAOYSA-N 2 2 364.490 0.632 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000187129286 209205691 /nfs/dbraw/zinc/20/56/91/209205691.db2.gz VSJWYKNNPSIZHM-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000187129286 209205693 /nfs/dbraw/zinc/20/56/93/209205693.db2.gz VSJWYKNNPSIZHM-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186705153 209195730 /nfs/dbraw/zinc/19/57/30/209195730.db2.gz KYGNETHMUWXGGI-OAHLLOKOSA-N 2 2 354.414 0.304 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCn3cc[nH+]c3)c2)CC1 ZINC000187079482 209204970 /nfs/dbraw/zinc/20/49/70/209204970.db2.gz LSWQDDIMDHRTGE-UHFFFAOYSA-N 2 2 370.457 0.780 20 0 FCADLP C[C@H](CO)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000276211717 212187799 /nfs/dbraw/zinc/18/77/99/212187799.db2.gz OZWJXEPYZZVDRJ-CVEARBPZSA-N 2 2 365.474 0.521 20 0 FCADLP C[C@H](CO)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000276211717 212187802 /nfs/dbraw/zinc/18/78/02/212187802.db2.gz OZWJXEPYZZVDRJ-CVEARBPZSA-N 2 2 365.474 0.521 20 0 FCADLP Cc1ccc(NC(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1S(N)(=O)=O ZINC000931432463 674114647 /nfs/dbraw/zinc/11/46/47/674114647.db2.gz RTMJEZPPRUVONE-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP Cc1ccc(NC(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1S(N)(=O)=O ZINC000931432463 674114649 /nfs/dbraw/zinc/11/46/49/674114649.db2.gz RTMJEZPPRUVONE-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1S(N)(=O)=O ZINC000931432463 674114652 /nfs/dbraw/zinc/11/46/52/674114652.db2.gz RTMJEZPPRUVONE-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1S(N)(=O)=O ZINC000931432463 674114654 /nfs/dbraw/zinc/11/46/54/674114654.db2.gz RTMJEZPPRUVONE-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP O=C(CC[N@@H+](CCO)C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000275656863 212068682 /nfs/dbraw/zinc/06/86/82/212068682.db2.gz XSJTXVPXRVZWBJ-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP O=C(CC[N@H+](CCO)C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000275656863 212068686 /nfs/dbraw/zinc/06/86/86/212068686.db2.gz XSJTXVPXRVZWBJ-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP CCN1C[C@H](C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC000275675977 212071728 /nfs/dbraw/zinc/07/17/28/212071728.db2.gz LYIPYLJYSJVOAL-CABCVRRESA-N 2 2 359.474 0.759 20 0 FCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000372770734 216944268 /nfs/dbraw/zinc/94/42/68/216944268.db2.gz ULOACGKRIGYCME-XYTVBORESA-N 2 2 364.490 0.038 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)CC1 ZINC000275596481 212057260 /nfs/dbraw/zinc/05/72/60/212057260.db2.gz GJKJTOQSYAJCTB-SWLSCSKDSA-N 2 2 370.450 0.261 20 0 FCADLP O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000373278374 217003629 /nfs/dbraw/zinc/00/36/29/217003629.db2.gz NUXVZYAWEKROIN-FQEVSTJZSA-N 2 2 365.518 0.985 20 0 FCADLP O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000373278374 217003631 /nfs/dbraw/zinc/00/36/31/217003631.db2.gz NUXVZYAWEKROIN-FQEVSTJZSA-N 2 2 365.518 0.985 20 0 FCADLP C[C@@H]1C[C@H](C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752411 245316789 /nfs/dbraw/zinc/31/67/89/245316789.db2.gz BVRJUZGSPVMWQV-VXGBXAGGSA-N 2 2 372.457 0.825 20 0 FCADLP C[C@H]1C[C@H](C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414752407 245317406 /nfs/dbraw/zinc/31/74/06/245317406.db2.gz BVRJUZGSPVMWQV-NWDGAFQWSA-N 2 2 372.457 0.825 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746231 245318634 /nfs/dbraw/zinc/31/86/34/245318634.db2.gz YRKDJURZDHSXMP-AEFFLSMTSA-N 2 2 356.474 0.936 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746231 245318640 /nfs/dbraw/zinc/31/86/40/245318640.db2.gz YRKDJURZDHSXMP-AEFFLSMTSA-N 2 2 356.474 0.936 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000414813064 245324776 /nfs/dbraw/zinc/32/47/76/245324776.db2.gz LSBKKDRIKJNQTC-GJZGRUSLSA-N 2 2 362.474 0.960 20 0 FCADLP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000415187966 245357011 /nfs/dbraw/zinc/35/70/11/245357011.db2.gz NAHNWZUSNWYZOU-INIZCTEOSA-N 2 2 362.474 0.962 20 0 FCADLP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000415187966 245357016 /nfs/dbraw/zinc/35/70/16/245357016.db2.gz NAHNWZUSNWYZOU-INIZCTEOSA-N 2 2 362.474 0.962 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000415233451 245365714 /nfs/dbraw/zinc/36/57/14/245365714.db2.gz SBMXNYHWQJOGKC-JKIFEVAISA-N 2 2 360.458 0.966 20 0 FCADLP C[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H]1C[NH3+] ZINC000415241255 245369628 /nfs/dbraw/zinc/36/96/28/245369628.db2.gz RUAMRQHVXUXVBS-GDBMZVCRSA-N 2 2 350.467 0.806 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415285701 245378183 /nfs/dbraw/zinc/37/81/83/245378183.db2.gz SJIMMOJDIAUMPC-INIZCTEOSA-N 2 2 374.485 0.915 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC[NH2+]C)cc2)CC1 ZINC000415305209 245381631 /nfs/dbraw/zinc/38/16/31/245381631.db2.gz IPQIJUMZVWDXKD-UHFFFAOYSA-N 2 2 361.490 0.488 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000275303298 212003808 /nfs/dbraw/zinc/00/38/08/212003808.db2.gz XLDZESROSOFPMQ-UHFFFAOYSA-N 2 2 361.446 0.289 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000275303298 212003809 /nfs/dbraw/zinc/00/38/09/212003809.db2.gz XLDZESROSOFPMQ-UHFFFAOYSA-N 2 2 361.446 0.289 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373895321 217071982 /nfs/dbraw/zinc/07/19/82/217071982.db2.gz WPCHHQNJDHVGSA-SJLPKXTDSA-N 2 2 352.523 0.772 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373895321 217071986 /nfs/dbraw/zinc/07/19/86/217071986.db2.gz WPCHHQNJDHVGSA-SJLPKXTDSA-N 2 2 352.523 0.772 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360390 217122344 /nfs/dbraw/zinc/12/23/44/217122344.db2.gz PEXJFENANZNCAM-IEBWSBKVSA-N 2 2 362.474 0.556 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000374360390 217122345 /nfs/dbraw/zinc/12/23/45/217122345.db2.gz PEXJFENANZNCAM-IEBWSBKVSA-N 2 2 362.474 0.556 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374417477 217127897 /nfs/dbraw/zinc/12/78/97/217127897.db2.gz ASCKTDOSAFLSJA-BZUAXINKSA-N 2 2 363.524 0.126 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374417477 217127900 /nfs/dbraw/zinc/12/79/00/217127900.db2.gz ASCKTDOSAFLSJA-BZUAXINKSA-N 2 2 363.524 0.126 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415481968 245421648 /nfs/dbraw/zinc/42/16/48/245421648.db2.gz JUZKLGRFDRGJTK-UHFFFAOYSA-N 2 2 362.474 0.901 20 0 FCADLP CN(C(=O)c1cncc(-n2ccnn2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374785433 217173356 /nfs/dbraw/zinc/17/33/56/217173356.db2.gz ZYICJEXKJCDFFQ-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1cncc(-n2ccnn2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374785433 217173358 /nfs/dbraw/zinc/17/33/58/217173358.db2.gz ZYICJEXKJCDFFQ-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP Cc1ccccc1CNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374994648 217200427 /nfs/dbraw/zinc/20/04/27/217200427.db2.gz AYMKVLDWODOQRU-UHFFFAOYSA-N 2 2 361.486 0.770 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000183753248 209152492 /nfs/dbraw/zinc/15/24/92/209152492.db2.gz UMFDSPJTRNRHMW-INIZCTEOSA-N 2 2 372.535 0.087 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000183753248 209152494 /nfs/dbraw/zinc/15/24/94/209152494.db2.gz UMFDSPJTRNRHMW-INIZCTEOSA-N 2 2 372.535 0.087 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](C(N)=O)C(C)(C)C)CC2)CC1 ZINC000183557286 209148308 /nfs/dbraw/zinc/14/83/08/209148308.db2.gz KCWFPRQHCSGBLX-OAHLLOKOSA-N 2 2 353.511 0.744 20 0 FCADLP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166361 209127901 /nfs/dbraw/zinc/12/79/01/209127901.db2.gz UBPNCKXELAGCIZ-CABCVRRESA-N 2 2 362.478 0.526 20 0 FCADLP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166361 209127905 /nfs/dbraw/zinc/12/79/05/209127905.db2.gz UBPNCKXELAGCIZ-CABCVRRESA-N 2 2 362.478 0.526 20 0 FCADLP CN(C(=O)NCCN1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375382331 217257835 /nfs/dbraw/zinc/25/78/35/217257835.db2.gz XCDZRDXBCMMUGB-KRWDZBQOSA-N 3 2 353.511 0.129 20 0 FCADLP CN(C(=O)NCCN1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375382331 217257837 /nfs/dbraw/zinc/25/78/37/217257837.db2.gz XCDZRDXBCMMUGB-KRWDZBQOSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375382331 217257840 /nfs/dbraw/zinc/25/78/40/217257840.db2.gz XCDZRDXBCMMUGB-KRWDZBQOSA-N 3 2 353.511 0.129 20 0 FCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375382331 217257841 /nfs/dbraw/zinc/25/78/41/217257841.db2.gz XCDZRDXBCMMUGB-KRWDZBQOSA-N 3 2 353.511 0.129 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375805744 217319936 /nfs/dbraw/zinc/31/99/36/217319936.db2.gz NIRWQMSAPSYCKW-JKSUJKDBSA-N 2 2 368.478 0.130 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000376135307 217359413 /nfs/dbraw/zinc/35/94/13/217359413.db2.gz SGIUCSXAYOHXED-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000376135307 217359414 /nfs/dbraw/zinc/35/94/14/217359414.db2.gz SGIUCSXAYOHXED-MOPGFXCFSA-N 2 2 364.534 0.868 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376254085 217375715 /nfs/dbraw/zinc/37/57/15/217375715.db2.gz JLXPMGJVKVKQBF-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)NCCNC(=O)C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376318559 217384131 /nfs/dbraw/zinc/38/41/31/217384131.db2.gz KZCWHEMWRRYBJN-INIZCTEOSA-N 2 2 367.538 0.959 20 0 FCADLP CN(C(=O)NCCNC(=O)C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376318559 217384134 /nfs/dbraw/zinc/38/41/34/217384134.db2.gz KZCWHEMWRRYBJN-INIZCTEOSA-N 2 2 367.538 0.959 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000376327082 217385414 /nfs/dbraw/zinc/38/54/14/217385414.db2.gz GNGZHVXNMDKLRE-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000376327082 217385416 /nfs/dbraw/zinc/38/54/16/217385416.db2.gz GNGZHVXNMDKLRE-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419129180 246005320 /nfs/dbraw/zinc/00/53/20/246005320.db2.gz XPMWHGFQFGOKIK-QGZVFWFLSA-N 2 2 369.469 0.801 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCC1 ZINC000419157318 246022487 /nfs/dbraw/zinc/02/24/87/246022487.db2.gz UYXFFKDRMATFBK-UHFFFAOYSA-N 2 2 355.442 0.740 20 0 FCADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419132372 246006724 /nfs/dbraw/zinc/00/67/24/246006724.db2.gz DTADLXBBDNGPDK-HNNXBMFYSA-N 2 2 357.458 0.938 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000419211987 246056488 /nfs/dbraw/zinc/05/64/88/246056488.db2.gz YVCXTBODUQVORQ-CVEARBPZSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228986 246066904 /nfs/dbraw/zinc/06/69/04/246066904.db2.gz HAMLIKYTONOVLI-MGPQQGTHSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228986 246066909 /nfs/dbraw/zinc/06/69/09/246066909.db2.gz HAMLIKYTONOVLI-MGPQQGTHSA-N 2 2 364.515 0.820 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419301475 246092028 /nfs/dbraw/zinc/09/20/28/246092028.db2.gz DQCGBJYBYHEZHD-FQEVSTJZSA-N 2 2 371.485 0.900 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419303406 246092086 /nfs/dbraw/zinc/09/20/86/246092086.db2.gz HYKJRLAKFIJFJL-GOEBONIOSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[C@H](C)[NH2+]1 ZINC000419314013 246095630 /nfs/dbraw/zinc/09/56/30/246095630.db2.gz UBYDAXZFURYBGR-GASCZTMLSA-N 2 2 359.474 0.897 20 0 FCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419627482 246223030 /nfs/dbraw/zinc/22/30/30/246223030.db2.gz DVSKALJMPMGKMZ-HDICACEKSA-N 2 2 367.453 0.901 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000419851831 246321205 /nfs/dbraw/zinc/32/12/05/246321205.db2.gz JWUAALNWFKZISB-UHFFFAOYSA-N 2 2 358.486 0.898 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000419873404 246341645 /nfs/dbraw/zinc/34/16/45/246341645.db2.gz MLTVAHNJHWPOKG-UHFFFAOYSA-N 2 2 374.485 0.596 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000419853345 246323330 /nfs/dbraw/zinc/32/33/30/246323330.db2.gz AOQSJWIOGHUEKU-MRXNPFEDSA-N 2 2 359.474 0.779 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419854584 246323500 /nfs/dbraw/zinc/32/35/00/246323500.db2.gz BTSNGNVTASACEI-GOEBONIOSA-N 2 2 360.458 0.379 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419857926 246328353 /nfs/dbraw/zinc/32/83/53/246328353.db2.gz HBEWRZDBSILJJL-GOSISDBHSA-N 2 2 374.485 0.583 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000419868735 246337051 /nfs/dbraw/zinc/33/70/51/246337051.db2.gz IYRHKYSJHGRQKJ-SJORKVTESA-N 2 2 374.485 0.596 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000419912117 246365406 /nfs/dbraw/zinc/36/54/06/246365406.db2.gz KVCXLWHBCDPTNS-IAGOWNOFSA-N 2 2 354.410 0.878 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419922006 246370236 /nfs/dbraw/zinc/37/02/36/246370236.db2.gz YXOUEUIHSAYKFK-OCTSTCLRSA-N 2 2 370.497 0.960 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419879204 246346795 /nfs/dbraw/zinc/34/67/95/246346795.db2.gz RFCOLOASIDHTRH-IRXDYDNUSA-N 2 2 374.485 0.726 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419884598 246350642 /nfs/dbraw/zinc/35/06/42/246350642.db2.gz GCHQDCWECBEBLH-OAHLLOKOSA-N 2 2 359.474 0.794 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419903162 246359368 /nfs/dbraw/zinc/35/93/68/246359368.db2.gz IHKHLGBKBVDWIW-OAHLLOKOSA-N 2 2 359.474 0.794 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419936252 246377622 /nfs/dbraw/zinc/37/76/22/246377622.db2.gz KTMKNTYVDRKAGW-NVXWUHKLSA-N 2 2 359.474 0.545 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000419974248 246395526 /nfs/dbraw/zinc/39/55/26/246395526.db2.gz JHGFEMFSXGOYGO-IRXDYDNUSA-N 2 2 366.506 0.206 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000419974247 246395797 /nfs/dbraw/zinc/39/57/97/246395797.db2.gz JHGFEMFSXGOYGO-IAGOWNOFSA-N 2 2 366.506 0.206 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000419938178 246379133 /nfs/dbraw/zinc/37/91/33/246379133.db2.gz WOAVXQXXPUQHNS-JKSUJKDBSA-N 2 2 370.457 0.431 20 0 FCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201018 246976771 /nfs/dbraw/zinc/97/67/71/246976771.db2.gz GYVXYMGKWSTZKV-HOCLYGCPSA-N 3 2 354.520 0.929 20 0 FCADLP [NH3+][C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000423359869 247010478 /nfs/dbraw/zinc/01/04/78/247010478.db2.gz LACDQRJEDBGLBB-QGZVFWFLSA-N 2 2 360.458 0.815 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000423357837 247010758 /nfs/dbraw/zinc/01/07/58/247010758.db2.gz BABLGFOCSGTDDI-ULQDDVLXSA-N 2 2 366.506 0.141 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000423382829 247017453 /nfs/dbraw/zinc/01/74/53/247017453.db2.gz IUMJLHDMFDMPFO-QWHCGFSZSA-N 2 2 355.460 0.470 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423320476 247005020 /nfs/dbraw/zinc/00/50/20/247005020.db2.gz GQENSBMGWLWYBZ-QLFBSQMISA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423320476 247005029 /nfs/dbraw/zinc/00/50/29/247005029.db2.gz GQENSBMGWLWYBZ-QLFBSQMISA-N 2 2 354.495 0.140 20 0 FCADLP O=C(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000423529861 247044353 /nfs/dbraw/zinc/04/43/53/247044353.db2.gz WBIAXMSUIVUFSM-WMZOPIPTSA-N 2 2 372.469 0.909 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530548 247045046 /nfs/dbraw/zinc/04/50/46/247045046.db2.gz PPSHROWYMNRVNV-DLBZAZTESA-N 3 2 367.538 0.199 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530548 247045049 /nfs/dbraw/zinc/04/50/49/247045049.db2.gz PPSHROWYMNRVNV-DLBZAZTESA-N 3 2 367.538 0.199 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H](C)C1 ZINC000423557632 247052101 /nfs/dbraw/zinc/05/21/01/247052101.db2.gz NKRBCELEDWSDGB-HNNXBMFYSA-N 2 2 362.474 0.535 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H](C)C1 ZINC000423557632 247052105 /nfs/dbraw/zinc/05/21/05/247052105.db2.gz NKRBCELEDWSDGB-HNNXBMFYSA-N 2 2 362.474 0.535 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423588916 247065060 /nfs/dbraw/zinc/06/50/60/247065060.db2.gz BMDDOVSPZMJIQN-MRXNPFEDSA-N 2 2 360.458 0.030 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423596096 247068363 /nfs/dbraw/zinc/06/83/63/247068363.db2.gz QXVYZKFIFBRLFX-UKRRQHHQSA-N 2 2 353.488 0.750 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000423428547 247024714 /nfs/dbraw/zinc/02/47/14/247024714.db2.gz JJOIWRKJOSPHHO-QZTJIDSGSA-N 2 2 373.501 0.970 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000423428549 247025146 /nfs/dbraw/zinc/02/51/46/247025146.db2.gz JJOIWRKJOSPHHO-ROUUACIJSA-N 2 2 373.501 0.970 20 0 FCADLP O=C(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423433692 247026137 /nfs/dbraw/zinc/02/61/37/247026137.db2.gz NJVMYOPGVHZIGA-ZWKOTPCHSA-N 2 2 373.501 0.970 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423491387 247036560 /nfs/dbraw/zinc/03/65/60/247036560.db2.gz JMBISMUKFYDHHE-WBVHZDCISA-N 2 2 366.506 0.156 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000423529077 247042608 /nfs/dbraw/zinc/04/26/08/247042608.db2.gz VEVIYKBQNUUZGI-KRWDZBQOSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[NH2+]1 ZINC000423616388 247077771 /nfs/dbraw/zinc/07/77/71/247077771.db2.gz FOPZUYZUQVLJCG-KGLIPLIRSA-N 2 2 353.488 0.892 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423631411 247084037 /nfs/dbraw/zinc/08/40/37/247084037.db2.gz ZUBRVWKFEBFUJV-WBVHZDCISA-N 2 2 359.474 0.627 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@@H+]1C ZINC000423637169 247085218 /nfs/dbraw/zinc/08/52/18/247085218.db2.gz GVURKCUGWAWSPT-SJORKVTESA-N 2 2 359.474 0.353 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC[N@H+]1C ZINC000423637169 247085222 /nfs/dbraw/zinc/08/52/22/247085222.db2.gz GVURKCUGWAWSPT-SJORKVTESA-N 2 2 359.474 0.353 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423763044 247138644 /nfs/dbraw/zinc/13/86/44/247138644.db2.gz TXCJJQOXZYXDFB-QAPCUYQASA-N 2 2 363.458 0.656 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CSC[NH2+]2)cc[nH+]1 ZINC000423930697 247153390 /nfs/dbraw/zinc/15/33/90/247153390.db2.gz WJPRJWKECIAVDV-SRVKXCTJSA-N 2 2 354.455 0.238 20 0 FCADLP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423995983 247158788 /nfs/dbraw/zinc/15/87/88/247158788.db2.gz VPFHGWPHACMOHC-YOEHRIQHSA-N 2 2 350.438 0.441 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000423717109 247121612 /nfs/dbraw/zinc/12/16/12/247121612.db2.gz JPHYVUQWNPBZOC-CABCVRRESA-N 2 2 362.474 0.706 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000423716373 247123372 /nfs/dbraw/zinc/12/33/72/247123372.db2.gz IOFAIPHLKWMMJN-MRXNPFEDSA-N 2 2 359.474 0.639 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000424299318 247195380 /nfs/dbraw/zinc/19/53/80/247195380.db2.gz IZRWFWHNRQJGHJ-HNNXBMFYSA-N 2 2 353.488 0.767 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000424299318 247195387 /nfs/dbraw/zinc/19/53/87/247195387.db2.gz IZRWFWHNRQJGHJ-HNNXBMFYSA-N 2 2 353.488 0.767 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000424330914 247197727 /nfs/dbraw/zinc/19/77/27/247197727.db2.gz ITNAJQQEJOUHMY-IAGOWNOFSA-N 3 2 352.523 0.997 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCCCNc1cccc[nH+]1)CC[NH2+]CC2 ZINC000424514735 247246041 /nfs/dbraw/zinc/24/60/41/247246041.db2.gz BBATVWAZISOIIC-HNNXBMFYSA-N 2 2 359.474 0.990 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCCc1cn3c([nH+]1)CCCC3)CC[NH2+]CC2 ZINC000424525111 247251102 /nfs/dbraw/zinc/25/11/02/247251102.db2.gz QLHJRAYLMPCNFY-HNNXBMFYSA-N 2 2 373.501 0.869 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000424465029 247225993 /nfs/dbraw/zinc/22/59/93/247225993.db2.gz JFFVGESAKULCRV-WMLDXEAASA-N 2 2 360.458 0.714 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000424465027 247227182 /nfs/dbraw/zinc/22/71/82/247227182.db2.gz JFFVGESAKULCRV-PBHICJAKSA-N 2 2 360.458 0.714 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000424484097 247235031 /nfs/dbraw/zinc/23/50/31/247235031.db2.gz ZQIYSFYAZJCPDO-GUTXKFCHSA-N 2 2 373.448 0.177 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424541107 247258343 /nfs/dbraw/zinc/25/83/43/247258343.db2.gz DMGYQFGDWUFGRH-HUUCEWRRSA-N 2 2 372.460 0.728 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424541107 247258348 /nfs/dbraw/zinc/25/83/48/247258348.db2.gz DMGYQFGDWUFGRH-HUUCEWRRSA-N 2 2 372.460 0.728 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424554265 247262426 /nfs/dbraw/zinc/26/24/26/247262426.db2.gz RYVFOXQKTGUJEZ-ZIAGYGMSSA-N 2 2 360.449 0.728 20 0 FCADLP COCC(C)(C)[NH+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000425282867 247315037 /nfs/dbraw/zinc/31/50/37/247315037.db2.gz RWVFYFRQVGBSPV-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)n1C ZINC000425339427 247324837 /nfs/dbraw/zinc/32/48/37/247324837.db2.gz COJUNNZYWIEKNM-AWEZNQCLSA-N 2 2 369.477 0.930 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032078 247566873 /nfs/dbraw/zinc/56/68/73/247566873.db2.gz MSEXHTMJRGHJKG-OCCSQVGLSA-N 2 2 360.414 0.790 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032078 247566875 /nfs/dbraw/zinc/56/68/75/247566875.db2.gz MSEXHTMJRGHJKG-OCCSQVGLSA-N 2 2 360.414 0.790 20 0 FCADLP CC(C)[NH+](CCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000435566343 248000056 /nfs/dbraw/zinc/00/00/56/248000056.db2.gz ARHNBIRYRYYFHQ-QGZVFWFLSA-N 2 2 358.527 0.830 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)CN1CSCC1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435573817 248001344 /nfs/dbraw/zinc/00/13/44/248001344.db2.gz KYULFWWORPYMPO-CYBMUJFWSA-N 2 2 363.487 0.424 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1 ZINC000436437639 248041915 /nfs/dbraw/zinc/04/19/15/248041915.db2.gz YTIASMKHVDLDSM-MRXNPFEDSA-N 2 2 370.501 0.884 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435628397 248005967 /nfs/dbraw/zinc/00/59/67/248005967.db2.gz UUWMBNAFMQNDCB-CYBMUJFWSA-N 2 2 354.476 0.655 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435628397 248005973 /nfs/dbraw/zinc/00/59/73/248005973.db2.gz UUWMBNAFMQNDCB-CYBMUJFWSA-N 2 2 354.476 0.655 20 0 FCADLP Cn1ccnc1C[N@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690129 248010354 /nfs/dbraw/zinc/01/03/54/248010354.db2.gz BJRRDFIHPMXPSB-CQSZACIVSA-N 2 2 374.489 0.695 20 0 FCADLP Cn1ccnc1C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690129 248010356 /nfs/dbraw/zinc/01/03/56/248010356.db2.gz BJRRDFIHPMXPSB-CQSZACIVSA-N 2 2 374.489 0.695 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000436049555 248029061 /nfs/dbraw/zinc/02/90/61/248029061.db2.gz HHBHELABCCWTKY-AWEZNQCLSA-N 2 2 362.430 0.673 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000436049555 248029063 /nfs/dbraw/zinc/02/90/63/248029063.db2.gz HHBHELABCCWTKY-AWEZNQCLSA-N 2 2 362.430 0.673 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000436052773 248029508 /nfs/dbraw/zinc/02/95/08/248029508.db2.gz DDKAQWRQBPRCTB-HNNXBMFYSA-N 2 2 361.446 0.654 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000436052773 248029511 /nfs/dbraw/zinc/02/95/11/248029511.db2.gz DDKAQWRQBPRCTB-HNNXBMFYSA-N 2 2 361.446 0.654 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436055289 248031444 /nfs/dbraw/zinc/03/14/44/248031444.db2.gz JCSZSNSGHHGCAY-AWEZNQCLSA-N 2 2 352.504 0.992 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436055289 248031445 /nfs/dbraw/zinc/03/14/45/248031445.db2.gz JCSZSNSGHHGCAY-AWEZNQCLSA-N 2 2 352.504 0.992 20 0 FCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000437340981 248064839 /nfs/dbraw/zinc/06/48/39/248064839.db2.gz DAXDEWLARWEKKE-GOSISDBHSA-N 2 2 360.527 0.965 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213535 248243910 /nfs/dbraw/zinc/24/39/10/248243910.db2.gz WJXOIWZYVWYVOK-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC(=O)NC(C)(C)C ZINC000441213535 248243915 /nfs/dbraw/zinc/24/39/15/248243915.db2.gz WJXOIWZYVWYVOK-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244976 248245052 /nfs/dbraw/zinc/24/50/52/248245052.db2.gz LGQLWVSEYIMGRV-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCCCN1CCCC1=O ZINC000441244976 248245055 /nfs/dbraw/zinc/24/50/55/248245055.db2.gz LGQLWVSEYIMGRV-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763219 248295692 /nfs/dbraw/zinc/29/56/92/248295692.db2.gz IHDFQZCUEQKQQQ-IRXDYDNUSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763219 248295693 /nfs/dbraw/zinc/29/56/93/248295693.db2.gz IHDFQZCUEQKQQQ-IRXDYDNUSA-N 3 2 352.523 0.807 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(C)(=O)=O ZINC000442788848 248296814 /nfs/dbraw/zinc/29/68/14/248296814.db2.gz JDZIAEJSCMQYIY-XYPWUTKMSA-N 2 2 374.551 0.378 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(C)(=O)=O ZINC000442788848 248296815 /nfs/dbraw/zinc/29/68/15/248296815.db2.gz JDZIAEJSCMQYIY-XYPWUTKMSA-N 2 2 374.551 0.378 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771510 248296964 /nfs/dbraw/zinc/29/69/64/248296964.db2.gz TZAJNQGMZRHXAK-SJORKVTESA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771510 248296968 /nfs/dbraw/zinc/29/69/68/248296968.db2.gz TZAJNQGMZRHXAK-SJORKVTESA-N 3 2 360.502 0.804 20 0 FCADLP CCOC1CC(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)([NH+]2CCOCC2)C1 ZINC000443872287 248343376 /nfs/dbraw/zinc/34/33/76/248343376.db2.gz ZMNYLHOBQJVATG-KLHKWILBSA-N 2 2 371.547 0.810 20 0 FCADLP CCOC1CC(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)([NH+]2CCOCC2)C1 ZINC000443872287 248343378 /nfs/dbraw/zinc/34/33/78/248343378.db2.gz ZMNYLHOBQJVATG-KLHKWILBSA-N 2 2 371.547 0.810 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444169546 248349695 /nfs/dbraw/zinc/34/96/95/248349695.db2.gz RBLOSVHHVWICFD-PXNSSMCTSA-N 2 2 362.518 0.827 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)c1coc(C[NH3+])c1)C(=O)NCC[NH+]1CCOCC1 ZINC000444166132 248349828 /nfs/dbraw/zinc/34/98/28/248349828.db2.gz JPYMAHHVGJREIL-XJKSGUPXSA-N 2 2 366.462 0.331 20 0 FCADLP CCOC1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)([NH+]2CCOCC2)C1 ZINC000444570992 248364560 /nfs/dbraw/zinc/36/45/60/248364560.db2.gz BPRYPEFLLPKHAD-LRYGQEGESA-N 2 2 369.506 0.341 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000469796104 250005513 /nfs/dbraw/zinc/00/55/13/250005513.db2.gz CRAPMAKHNJZXNL-OAGGEKHMSA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000469796104 250005516 /nfs/dbraw/zinc/00/55/16/250005516.db2.gz CRAPMAKHNJZXNL-OAGGEKHMSA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)NCCOCC[NH+](C)C)c[nH+]2)CCO1 ZINC000471645546 250111098 /nfs/dbraw/zinc/11/10/98/250111098.db2.gz YQMNGELMBIVWLQ-OAHLLOKOSA-N 2 2 365.478 0.684 20 0 FCADLP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NCCC[N@@H+]1CCNC(=O)C1 ZINC000269965274 211127893 /nfs/dbraw/zinc/12/78/93/211127893.db2.gz ZNCHBRLVYQRFBT-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)NCCC[N@H+]1CCNC(=O)C1 ZINC000269965274 211127897 /nfs/dbraw/zinc/12/78/97/211127897.db2.gz ZNCHBRLVYQRFBT-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC[NH+]1CCNC(=O)C1 ZINC000269965274 211127887 /nfs/dbraw/zinc/12/78/87/211127887.db2.gz ZNCHBRLVYQRFBT-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC[NH+]1CCNC(=O)C1 ZINC000269965274 211127891 /nfs/dbraw/zinc/12/78/91/211127891.db2.gz ZNCHBRLVYQRFBT-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000472489862 250152414 /nfs/dbraw/zinc/15/24/14/250152414.db2.gz XYXDBQKPOREEKU-QZTJIDSGSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000472489862 250152417 /nfs/dbraw/zinc/15/24/17/250152417.db2.gz XYXDBQKPOREEKU-QZTJIDSGSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489862 250152421 /nfs/dbraw/zinc/15/24/21/250152421.db2.gz XYXDBQKPOREEKU-QZTJIDSGSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489862 250152424 /nfs/dbraw/zinc/15/24/24/250152424.db2.gz XYXDBQKPOREEKU-QZTJIDSGSA-N 2 2 350.507 0.777 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000473120265 250201716 /nfs/dbraw/zinc/20/17/16/250201716.db2.gz NQLWEXPQLFHGSJ-UHFFFAOYSA-N 2 2 365.478 0.629 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000473955806 250259044 /nfs/dbraw/zinc/25/90/44/250259044.db2.gz JKDVIGBHIZDSKJ-CVEARBPZSA-N 2 2 356.511 0.630 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000474017007 250262856 /nfs/dbraw/zinc/26/28/56/250262856.db2.gz PURJIRCNZORNKW-UHFFFAOYSA-N 2 2 363.462 0.643 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020699 250308191 /nfs/dbraw/zinc/30/81/91/250308191.db2.gz WHVNCOXSWROGGW-HUUCEWRRSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020699 250308195 /nfs/dbraw/zinc/30/81/95/250308195.db2.gz WHVNCOXSWROGGW-HUUCEWRRSA-N 2 2 361.490 0.941 20 0 FCADLP O=C(C[NH+](CCO)CCO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000269603511 211020792 /nfs/dbraw/zinc/02/07/92/211020792.db2.gz QFCTXGSRSUXAJB-UHFFFAOYSA-N 2 2 353.488 0.461 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC[N@H+](C)C1 ZINC000413396131 532994343 /nfs/dbraw/zinc/99/43/43/532994343.db2.gz ILTRRHMODSHLLJ-HUUCEWRRSA-N 2 2 363.462 0.815 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC[N@@H+](C)C1 ZINC000413396131 532994348 /nfs/dbraw/zinc/99/43/48/532994348.db2.gz ILTRRHMODSHLLJ-HUUCEWRRSA-N 2 2 363.462 0.815 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054986966 208002447 /nfs/dbraw/zinc/00/24/47/208002447.db2.gz RQVIMLHINHHJBY-KRWDZBQOSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(CC[N@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000054986966 208002453 /nfs/dbraw/zinc/00/24/53/208002453.db2.gz RQVIMLHINHHJBY-KRWDZBQOSA-N 2 2 371.485 0.863 20 0 FCADLP CC[NH+](CC)CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000058855776 208006978 /nfs/dbraw/zinc/00/69/78/208006978.db2.gz CLEXAWFFHJOOIO-UHFFFAOYSA-N 2 2 368.503 0.903 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000081236207 208099549 /nfs/dbraw/zinc/09/95/49/208099549.db2.gz XHOMMYQYDGCCMK-QGZVFWFLSA-N 2 2 357.458 0.699 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000081236207 208099556 /nfs/dbraw/zinc/09/95/56/208099556.db2.gz XHOMMYQYDGCCMK-QGZVFWFLSA-N 2 2 357.458 0.699 20 0 FCADLP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000081553828 208101453 /nfs/dbraw/zinc/10/14/53/208101453.db2.gz LWIPRQOSVATVCD-CQSZACIVSA-N 2 2 352.504 0.706 20 0 FCADLP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000081553828 208101458 /nfs/dbraw/zinc/10/14/58/208101458.db2.gz LWIPRQOSVATVCD-CQSZACIVSA-N 2 2 352.504 0.706 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000079763409 208091378 /nfs/dbraw/zinc/09/13/78/208091378.db2.gz AFMCLCUYPSQQOE-GOEBONIOSA-N 2 2 368.503 0.944 20 0 FCADLP Cn1c2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2[nH+]c1C1CC1 ZINC000089953027 208125048 /nfs/dbraw/zinc/12/50/48/208125048.db2.gz SJAUSGIRCDQCLZ-IBGZPJMESA-N 2 2 373.457 0.818 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000082985942 208103916 /nfs/dbraw/zinc/10/39/16/208103916.db2.gz HCIVYXLJCLZQJX-OALUTQOASA-N 2 2 361.486 0.803 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000082985942 208103923 /nfs/dbraw/zinc/10/39/23/208103923.db2.gz HCIVYXLJCLZQJX-OALUTQOASA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000086171537 208112238 /nfs/dbraw/zinc/11/22/38/208112238.db2.gz VVEYFNXYAMVPRJ-KRWDZBQOSA-N 2 2 374.485 0.867 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000089124328 208120721 /nfs/dbraw/zinc/12/07/21/208120721.db2.gz WLBIMLBZEABACH-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000089124328 208120727 /nfs/dbraw/zinc/12/07/27/208120727.db2.gz WLBIMLBZEABACH-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000097000135 208160934 /nfs/dbraw/zinc/16/09/34/208160934.db2.gz BXXZCXQEIBELCU-UHFFFAOYSA-N 2 2 368.503 0.432 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000097000135 208160941 /nfs/dbraw/zinc/16/09/41/208160941.db2.gz BXXZCXQEIBELCU-UHFFFAOYSA-N 2 2 368.503 0.432 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cn2)CC1 ZINC000092218256 208143099 /nfs/dbraw/zinc/14/30/99/208143099.db2.gz TWZGDDWNMPRJKJ-SFHVURJKSA-N 2 2 360.506 0.525 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3CN3CCOCC3)cn2)CC1 ZINC000092218256 208143104 /nfs/dbraw/zinc/14/31/04/208143104.db2.gz TWZGDDWNMPRJKJ-SFHVURJKSA-N 2 2 360.506 0.525 20 0 FCADLP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000093187954 208153282 /nfs/dbraw/zinc/15/32/82/208153282.db2.gz VXHBWEKKTSIEJG-ROUUACIJSA-N 3 2 366.550 0.972 20 0 FCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093421221 208156473 /nfs/dbraw/zinc/15/64/73/208156473.db2.gz CKTCRUALWNMTOY-KGLIPLIRSA-N 2 2 355.508 0.482 20 0 FCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093421221 208156479 /nfs/dbraw/zinc/15/64/79/208156479.db2.gz CKTCRUALWNMTOY-KGLIPLIRSA-N 2 2 355.508 0.482 20 0 FCADLP C[C@@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@H+](C)C1CC1 ZINC000105268476 208195860 /nfs/dbraw/zinc/19/58/60/208195860.db2.gz DCVCSNWSQOAQHH-ZDUSSCGKSA-N 2 2 372.477 0.678 20 0 FCADLP C[C@@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[N@@H+](C)C1CC1 ZINC000105268476 208195868 /nfs/dbraw/zinc/19/58/68/208195868.db2.gz DCVCSNWSQOAQHH-ZDUSSCGKSA-N 2 2 372.477 0.678 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000107369937 208243140 /nfs/dbraw/zinc/24/31/40/208243140.db2.gz WFXYAMWKELKMOK-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000107369937 208243146 /nfs/dbraw/zinc/24/31/46/208243146.db2.gz WFXYAMWKELKMOK-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000107369200 208243698 /nfs/dbraw/zinc/24/36/98/208243698.db2.gz ZAVMIFGNOBRGSS-LBPRGKRZSA-N 2 2 365.400 0.086 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000107369200 208243703 /nfs/dbraw/zinc/24/37/03/208243703.db2.gz ZAVMIFGNOBRGSS-LBPRGKRZSA-N 2 2 365.400 0.086 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000106583713 208230000 /nfs/dbraw/zinc/23/00/00/208230000.db2.gz WORUHLCFVYMSFD-QGZVFWFLSA-N 2 2 360.506 0.545 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112216014 208292755 /nfs/dbraw/zinc/29/27/55/208292755.db2.gz PNAQUHYLJFDBDV-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112216014 208292760 /nfs/dbraw/zinc/29/27/60/208292760.db2.gz PNAQUHYLJFDBDV-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1-n1cnnn1 ZINC000112921435 208304361 /nfs/dbraw/zinc/30/43/61/208304361.db2.gz JSZBIBBNKVJIQO-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1-n1cnnn1 ZINC000112921435 208304366 /nfs/dbraw/zinc/30/43/66/208304366.db2.gz JSZBIBBNKVJIQO-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)NCc1ccco1 ZINC000112921529 208304790 /nfs/dbraw/zinc/30/47/90/208304790.db2.gz QRWYQBMOYFEADT-UHFFFAOYSA-N 2 2 365.478 0.563 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)NCc1ccco1 ZINC000112921529 208304794 /nfs/dbraw/zinc/30/47/94/208304794.db2.gz QRWYQBMOYFEADT-UHFFFAOYSA-N 2 2 365.478 0.563 20 0 FCADLP CN(CC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000120248219 208376769 /nfs/dbraw/zinc/37/67/69/208376769.db2.gz OOBACJFLBRHMDX-GOSISDBHSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000120248219 208376776 /nfs/dbraw/zinc/37/67/76/208376776.db2.gz OOBACJFLBRHMDX-GOSISDBHSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120248219 208376779 /nfs/dbraw/zinc/37/67/79/208376779.db2.gz OOBACJFLBRHMDX-GOSISDBHSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120248219 208376787 /nfs/dbraw/zinc/37/67/87/208376787.db2.gz OOBACJFLBRHMDX-GOSISDBHSA-N 2 2 362.522 0.873 20 0 FCADLP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000120947999 208393720 /nfs/dbraw/zinc/39/37/20/208393720.db2.gz XFMBELBAYPQTNW-IRXDYDNUSA-N 3 2 352.523 0.582 20 0 FCADLP COCC(COC)[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000413481087 533101685 /nfs/dbraw/zinc/10/16/85/533101685.db2.gz WGVYCRXNHAPGGZ-UHFFFAOYSA-N 2 2 367.519 0.813 20 0 FCADLP COC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000176382114 209002971 /nfs/dbraw/zinc/00/29/71/209002971.db2.gz VUDOMUWEAOQTST-KRWDZBQOSA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000177113803 209016285 /nfs/dbraw/zinc/01/62/85/209016285.db2.gz NESVNYVZQLVQNP-UHFFFAOYSA-N 2 2 372.473 0.324 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000177559503 209027487 /nfs/dbraw/zinc/02/74/87/209027487.db2.gz OZLGCFONTQMVCC-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000177757227 209034170 /nfs/dbraw/zinc/03/41/70/209034170.db2.gz XQHGUKLSHJGQGS-JKSUJKDBSA-N 2 2 362.478 0.640 20 0 FCADLP CC(=O)Nc1ccccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178666953 209056644 /nfs/dbraw/zinc/05/66/44/209056644.db2.gz GAWMUDNEOUOIDM-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178248015 209046838 /nfs/dbraw/zinc/04/68/38/209046838.db2.gz RPYNDAAKINZWHT-HOCLYGCPSA-N 2 2 360.458 0.826 20 0 FCADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc12 ZINC000178904433 209066168 /nfs/dbraw/zinc/06/61/68/209066168.db2.gz WFQRANCHXSYFEK-INIZCTEOSA-N 2 2 372.473 0.299 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC[N@H+](C)C1 ZINC000413396130 533480090 /nfs/dbraw/zinc/48/00/90/533480090.db2.gz ILTRRHMODSHLLJ-GJZGRUSLSA-N 2 2 363.462 0.815 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC[N@@H+](C)C1 ZINC000413396130 533480092 /nfs/dbraw/zinc/48/00/92/533480092.db2.gz ILTRRHMODSHLLJ-GJZGRUSLSA-N 2 2 363.462 0.815 20 0 FCADLP CCOC(=O)N1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000179748294 209084918 /nfs/dbraw/zinc/08/49/18/209084918.db2.gz VSYHWDLTKDIDEA-UHFFFAOYSA-N 2 2 362.478 0.893 20 0 FCADLP CCOC(=O)N1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000179748294 209084924 /nfs/dbraw/zinc/08/49/24/209084924.db2.gz VSYHWDLTKDIDEA-UHFFFAOYSA-N 2 2 362.478 0.893 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCC1 ZINC000163574133 229203228 /nfs/dbraw/zinc/20/32/28/229203228.db2.gz ZBNMXSLSJMUZGR-INIZCTEOSA-N 2 2 360.458 0.380 20 0 FCADLP C[C@H]1OCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000410580010 230142192 /nfs/dbraw/zinc/14/21/92/230142192.db2.gz HGFAQMPRRGIVBO-LSDHHAIUSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@H]1OCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000410580010 230142195 /nfs/dbraw/zinc/14/21/95/230142195.db2.gz HGFAQMPRRGIVBO-LSDHHAIUSA-N 2 2 354.495 0.107 20 0 FCADLP NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000932945860 674230216 /nfs/dbraw/zinc/23/02/16/674230216.db2.gz AJQDPVKZYQNWGJ-QGZVFWFLSA-N 2 2 353.488 0.629 20 0 FCADLP NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000932945860 674230217 /nfs/dbraw/zinc/23/02/17/674230217.db2.gz AJQDPVKZYQNWGJ-QGZVFWFLSA-N 2 2 353.488 0.629 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934318943 674290260 /nfs/dbraw/zinc/29/02/60/674290260.db2.gz GFSIFHYVJYXDRQ-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934318943 674290263 /nfs/dbraw/zinc/29/02/63/674290263.db2.gz GFSIFHYVJYXDRQ-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP C[C@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000299681127 488866699 /nfs/dbraw/zinc/86/66/99/488866699.db2.gz RMSDZVMXMGTYIG-HZPDHXFCSA-N 2 2 361.490 0.559 20 0 FCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363661119 488870402 /nfs/dbraw/zinc/87/04/02/488870402.db2.gz IOCHDWQREUPVRN-AWEZNQCLSA-N 2 2 363.510 1.015 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[NH2+]CC1 ZINC000562796791 491189312 /nfs/dbraw/zinc/18/93/12/491189312.db2.gz GIVZWHQZCDZAEW-UHFFFAOYSA-N 2 2 362.474 0.903 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363824832 488889982 /nfs/dbraw/zinc/88/99/82/488889982.db2.gz PNHJEZBRCIAVSD-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](CN1CCCC1=O)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363824832 488889984 /nfs/dbraw/zinc/88/99/84/488889984.db2.gz PNHJEZBRCIAVSD-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP C[NH+]1CCC(CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000302799022 488891896 /nfs/dbraw/zinc/89/18/96/488891896.db2.gz BLSRIEOJTJZEOD-UHFFFAOYSA-N 2 2 367.519 0.771 20 0 FCADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000278879743 488902254 /nfs/dbraw/zinc/90/22/54/488902254.db2.gz XSVUBDCLLHEEND-DZGCQCFKSA-N 2 2 365.430 0.650 20 0 FCADLP COc1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)cn1 ZINC000287776356 488904479 /nfs/dbraw/zinc/90/44/79/488904479.db2.gz RVZYKXGYGYXISQ-KGLIPLIRSA-N 2 2 366.437 0.813 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000287977589 488928211 /nfs/dbraw/zinc/92/82/11/488928211.db2.gz VJTROGLQDFPUCS-JJRVBVJISA-N 2 2 362.478 0.723 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000279268501 488928337 /nfs/dbraw/zinc/92/83/37/488928337.db2.gz VYBXTCOSPKRGTB-UHFFFAOYSA-N 2 2 355.442 0.803 20 0 FCADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000562804763 491190671 /nfs/dbraw/zinc/19/06/71/491190671.db2.gz UJSXDTJQACZYIX-SFHVURJKSA-N 2 2 369.485 0.274 20 0 FCADLP Cn1cncc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328822798 488941660 /nfs/dbraw/zinc/94/16/60/488941660.db2.gz IFJQOQDYLKFNOJ-OAHLLOKOSA-N 2 2 371.489 0.356 20 0 FCADLP Cn1cncc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328822797 488941741 /nfs/dbraw/zinc/94/17/41/488941741.db2.gz IFJQOQDYLKFNOJ-HNNXBMFYSA-N 2 2 371.489 0.356 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000042895653 487882778 /nfs/dbraw/zinc/88/27/78/487882778.db2.gz CVYJEGDJNCDAQA-UHFFFAOYSA-N 2 2 369.433 0.482 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000045645460 487947009 /nfs/dbraw/zinc/94/70/09/487947009.db2.gz BBCRTJBSELLSIO-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000045844941 487956105 /nfs/dbraw/zinc/95/61/05/487956105.db2.gz LPTKRASQNPGTQO-UHFFFAOYSA-N 2 2 374.489 0.645 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000047597705 488037562 /nfs/dbraw/zinc/03/75/62/488037562.db2.gz XYYILFQRIZFBIR-MRXNPFEDSA-N 2 2 353.492 0.780 20 0 FCADLP COCCN1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050799031 488114398 /nfs/dbraw/zinc/11/43/98/488114398.db2.gz YJGKEKNGWBOELU-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP COCC(=O)N1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051401385 488132167 /nfs/dbraw/zinc/13/21/67/488132167.db2.gz QZTZBYHRRZBNGE-INIZCTEOSA-N 2 2 360.458 0.805 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000051768611 488146367 /nfs/dbraw/zinc/14/63/67/488146367.db2.gz JWZVSFANWUPTHT-UHFFFAOYSA-N 2 2 366.531 0.729 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364489519 488964824 /nfs/dbraw/zinc/96/48/24/488964824.db2.gz GEASVHXAMHQVSD-HOCLYGCPSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364489519 488964827 /nfs/dbraw/zinc/96/48/27/488964827.db2.gz GEASVHXAMHQVSD-HOCLYGCPSA-N 2 2 353.511 0.663 20 0 FCADLP CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000056508828 488257460 /nfs/dbraw/zinc/25/74/60/488257460.db2.gz IYLVIKLRZWAGCT-UHFFFAOYSA-N 2 2 362.474 0.915 20 0 FCADLP CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000056508828 488257463 /nfs/dbraw/zinc/25/74/63/488257463.db2.gz IYLVIKLRZWAGCT-UHFFFAOYSA-N 2 2 362.474 0.915 20 0 FCADLP Cc1cc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000066411660 488329012 /nfs/dbraw/zinc/32/90/12/488329012.db2.gz SOCNHYRPWNDGHU-UHFFFAOYSA-N 2 2 360.462 0.972 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859167 488374131 /nfs/dbraw/zinc/37/41/31/488374131.db2.gz RDSUJJHUFZQPNQ-ZACQAIPSSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859167 488374132 /nfs/dbraw/zinc/37/41/32/488374132.db2.gz RDSUJJHUFZQPNQ-ZACQAIPSSA-N 2 2 366.506 0.143 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000070752319 488375358 /nfs/dbraw/zinc/37/53/58/488375358.db2.gz KGQRRHUGRUADQC-UHFFFAOYSA-N 2 2 371.441 0.513 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccco1 ZINC000073443342 488384620 /nfs/dbraw/zinc/38/46/20/488384620.db2.gz PCXBOIOYNIEKFT-YOEHRIQHSA-N 2 2 354.451 0.265 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000073444490 488384684 /nfs/dbraw/zinc/38/46/84/488384684.db2.gz UEMDNZFSQGIHFE-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000073586405 488385047 /nfs/dbraw/zinc/38/50/47/488385047.db2.gz QQDBCEDPBHRCCC-KZNAEPCWSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C[NH+]1CCCC1 ZINC000073773809 488386293 /nfs/dbraw/zinc/38/62/93/488386293.db2.gz CYKPQEMKZRUDNC-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP C[NH+](CC1(C[N@@H+](C)C2(C(N)=O)CCCC2)COC1)C1(C(N)=O)CCCC1 ZINC000182365918 488387943 /nfs/dbraw/zinc/38/79/43/488387943.db2.gz VDMJNDABZBZTAT-UHFFFAOYSA-N 2 2 366.506 0.463 20 0 FCADLP C[C@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000182710103 488389184 /nfs/dbraw/zinc/38/91/84/488389184.db2.gz YTTCOGZZTSDOPX-IRXDYDNUSA-N 2 2 355.527 0.375 20 0 FCADLP O=C(CC[NH2+][C@H]1CCCS(=O)(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000182696793 488389428 /nfs/dbraw/zinc/38/94/28/488389428.db2.gz XKZUOQZWAWOOHL-HNNXBMFYSA-N 2 2 366.487 0.287 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000074493496 488392366 /nfs/dbraw/zinc/39/23/66/488392366.db2.gz YGVVVISJOPQZNT-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000074493496 488392369 /nfs/dbraw/zinc/39/23/69/488392369.db2.gz YGVVVISJOPQZNT-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000185057490 488399564 /nfs/dbraw/zinc/39/95/64/488399564.db2.gz WVRUISKIRBMTRX-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000185057490 488399567 /nfs/dbraw/zinc/39/95/67/488399567.db2.gz WVRUISKIRBMTRX-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000185510373 488401587 /nfs/dbraw/zinc/40/15/87/488401587.db2.gz UODCYWNJXQQSMT-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000185510373 488401588 /nfs/dbraw/zinc/40/15/88/488401588.db2.gz UODCYWNJXQQSMT-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000185826040 488403016 /nfs/dbraw/zinc/40/30/16/488403016.db2.gz LOIAFEXITRWDNF-SJORKVTESA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000185826040 488403018 /nfs/dbraw/zinc/40/30/18/488403018.db2.gz LOIAFEXITRWDNF-SJORKVTESA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000186133348 488404126 /nfs/dbraw/zinc/40/41/26/488404126.db2.gz NYBYNKNCDCJJKS-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000186133348 488404133 /nfs/dbraw/zinc/40/41/33/488404133.db2.gz NYBYNKNCDCJJKS-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000186133348 488404141 /nfs/dbraw/zinc/40/41/41/488404141.db2.gz NYBYNKNCDCJJKS-ZWKOTPCHSA-N 2 2 369.554 0.668 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000076454331 488404784 /nfs/dbraw/zinc/40/47/84/488404784.db2.gz SDJMICRTKFOHKR-MRXNPFEDSA-N 2 2 370.457 0.940 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000076454331 488404785 /nfs/dbraw/zinc/40/47/85/488404785.db2.gz SDJMICRTKFOHKR-MRXNPFEDSA-N 2 2 370.457 0.940 20 0 FCADLP Cc1cccn2cc(CC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)[nH+]c12 ZINC000076458690 488404975 /nfs/dbraw/zinc/40/49/75/488404975.db2.gz ZPPIWDMONURUQF-HNNXBMFYSA-N 2 2 357.458 0.889 20 0 FCADLP Cc1cccn2cc(CC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)[nH+]c12 ZINC000076458690 488404976 /nfs/dbraw/zinc/40/49/76/488404976.db2.gz ZPPIWDMONURUQF-HNNXBMFYSA-N 2 2 357.458 0.889 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076429133 488405105 /nfs/dbraw/zinc/40/51/05/488405105.db2.gz SSWYOYWQEKYIKH-UHFFFAOYSA-N 2 2 361.446 0.905 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076429133 488405106 /nfs/dbraw/zinc/40/51/06/488405106.db2.gz SSWYOYWQEKYIKH-UHFFFAOYSA-N 2 2 361.446 0.905 20 0 FCADLP Cn1cc(CC[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000077318540 488410932 /nfs/dbraw/zinc/41/09/32/488410932.db2.gz INERMGBBUUOYGB-UHFFFAOYSA-N 2 2 357.462 0.411 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000077876998 488419044 /nfs/dbraw/zinc/41/90/44/488419044.db2.gz YGWQZYIMZLTCMP-HUUCEWRRSA-N 2 2 362.540 0.477 20 0 FCADLP CCO[C@H]1C[C@@](O)(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000191296383 488419638 /nfs/dbraw/zinc/41/96/38/488419638.db2.gz RXPSUOSIDITRCV-QFBILLFUSA-N 2 2 370.538 0.878 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000191487133 488420105 /nfs/dbraw/zinc/42/01/05/488420105.db2.gz APUNELKXPNELDJ-OALUTQOASA-N 2 2 363.502 0.765 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268454355 488420275 /nfs/dbraw/zinc/42/02/75/488420275.db2.gz WJGRUAVAOOULDD-UHFFFAOYSA-N 2 2 358.450 0.235 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC[N@H+](C)CC3)nc2)CC1 ZINC000078254424 488420828 /nfs/dbraw/zinc/42/08/28/488420828.db2.gz HVMNJHAQONMRQZ-UHFFFAOYSA-N 2 2 353.492 0.160 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC[N@@H+](C)CC3)nc2)CC1 ZINC000078254424 488420833 /nfs/dbraw/zinc/42/08/33/488420833.db2.gz HVMNJHAQONMRQZ-UHFFFAOYSA-N 2 2 353.492 0.160 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000193131474 488426362 /nfs/dbraw/zinc/42/63/62/488426362.db2.gz HEYFJYWKJHREAB-QGZVFWFLSA-N 2 2 356.511 0.707 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079136281 488428025 /nfs/dbraw/zinc/42/80/25/488428025.db2.gz UHZFDNFTHDZCGA-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP Cc1noc(CCC[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000268684641 488442005 /nfs/dbraw/zinc/44/20/05/488442005.db2.gz PIWFWXFSVZEYEG-UHFFFAOYSA-N 2 2 373.461 0.759 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633700 488443671 /nfs/dbraw/zinc/44/36/71/488443671.db2.gz DUEXBLRDAUZHMG-GOEBONIOSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633700 488443673 /nfs/dbraw/zinc/44/36/73/488443673.db2.gz DUEXBLRDAUZHMG-GOEBONIOSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633700 488443674 /nfs/dbraw/zinc/44/36/74/488443674.db2.gz DUEXBLRDAUZHMG-GOEBONIOSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633700 488443677 /nfs/dbraw/zinc/44/36/77/488443677.db2.gz DUEXBLRDAUZHMG-GOEBONIOSA-N 2 2 350.507 0.763 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000081634465 488443874 /nfs/dbraw/zinc/44/38/74/488443874.db2.gz VUQDUICXLNKERD-CRAIPNDOSA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000081634465 488443876 /nfs/dbraw/zinc/44/38/76/488443876.db2.gz VUQDUICXLNKERD-CRAIPNDOSA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000081634465 488443879 /nfs/dbraw/zinc/44/38/79/488443879.db2.gz VUQDUICXLNKERD-CRAIPNDOSA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081634465 488443882 /nfs/dbraw/zinc/44/38/82/488443882.db2.gz VUQDUICXLNKERD-CRAIPNDOSA-N 2 2 350.507 0.729 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000569851478 491199054 /nfs/dbraw/zinc/19/90/54/491199054.db2.gz OQBQOVIWBQZTCL-YOEHRIQHSA-N 2 2 350.488 0.770 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083733570 488448832 /nfs/dbraw/zinc/44/88/32/488448832.db2.gz PDYWVCGXGIXSAJ-SJORKVTESA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083733570 488448834 /nfs/dbraw/zinc/44/88/34/488448834.db2.gz PDYWVCGXGIXSAJ-SJORKVTESA-N 2 2 356.511 0.585 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268838017 488452878 /nfs/dbraw/zinc/45/28/78/488452878.db2.gz YPXYLKQEWCXVSV-UHFFFAOYSA-N 2 2 370.457 0.832 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000086991116 488453397 /nfs/dbraw/zinc/45/33/97/488453397.db2.gz ABTPJGWJCAZJIP-JKSUJKDBSA-N 2 2 362.478 0.610 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268861979 488453572 /nfs/dbraw/zinc/45/35/72/488453572.db2.gz DVYLZQXNZIPRMR-CJNGLKHVSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268861979 488453573 /nfs/dbraw/zinc/45/35/73/488453573.db2.gz DVYLZQXNZIPRMR-CJNGLKHVSA-N 2 2 368.503 0.585 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCCC1 ZINC000237256894 488454784 /nfs/dbraw/zinc/45/47/84/488454784.db2.gz CYDYEMVDUGOALX-KRWDZBQOSA-N 2 2 374.485 0.770 20 0 FCADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CC[NH2+]CC3=O)n2)C1 ZINC000237480275 488455670 /nfs/dbraw/zinc/45/56/70/488455670.db2.gz FWHLWLKZAOZESL-GFCCVEGCSA-N 2 2 351.476 0.745 20 0 FCADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CC[NH2+]CC3=O)n2)C1 ZINC000237480275 488455672 /nfs/dbraw/zinc/45/56/72/488455672.db2.gz FWHLWLKZAOZESL-GFCCVEGCSA-N 2 2 351.476 0.745 20 0 FCADLP CC[NH+](CC)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088478451 488455710 /nfs/dbraw/zinc/45/57/10/488455710.db2.gz BICQZSGKWKYLQS-INIZCTEOSA-N 2 2 353.511 0.666 20 0 FCADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000237673720 488456900 /nfs/dbraw/zinc/45/69/00/488456900.db2.gz YOLKPACZRVQZNZ-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000237673720 488456902 /nfs/dbraw/zinc/45/69/02/488456902.db2.gz YOLKPACZRVQZNZ-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000238109954 488458766 /nfs/dbraw/zinc/45/87/66/488458766.db2.gz JUVZDNJZMPNBFA-UHFFFAOYSA-N 2 2 355.442 0.564 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000245956995 488468229 /nfs/dbraw/zinc/46/82/29/488468229.db2.gz QVOVQZJTZJUXEE-WBVHZDCISA-N 2 2 367.515 0.871 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000245956995 488468231 /nfs/dbraw/zinc/46/82/31/488468231.db2.gz QVOVQZJTZJUXEE-WBVHZDCISA-N 2 2 367.515 0.871 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246074594 488469678 /nfs/dbraw/zinc/46/96/78/488469678.db2.gz CXLAPNMEDSNIDM-XWTMOSNGSA-N 2 2 370.538 0.687 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246074594 488469682 /nfs/dbraw/zinc/46/96/82/488469682.db2.gz CXLAPNMEDSNIDM-XWTMOSNGSA-N 2 2 370.538 0.687 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000095376789 488482143 /nfs/dbraw/zinc/48/21/43/488482143.db2.gz RBGZWWZKHIOGNX-KRWDZBQOSA-N 2 2 359.474 0.136 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000247741153 488489677 /nfs/dbraw/zinc/48/96/77/488489677.db2.gz NQJSEYBFHSNTAG-OKZBNKHCSA-N 2 2 367.538 0.517 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000569902361 491202209 /nfs/dbraw/zinc/20/22/09/491202209.db2.gz GWHTZVICWOUVFD-MRXNPFEDSA-N 2 2 350.467 0.773 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000569902361 491202212 /nfs/dbraw/zinc/20/22/12/491202212.db2.gz GWHTZVICWOUVFD-MRXNPFEDSA-N 2 2 350.467 0.773 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000248200270 488494312 /nfs/dbraw/zinc/49/43/12/488494312.db2.gz YLZPOSPNCRVHNE-WBVHZDCISA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000248200270 488494314 /nfs/dbraw/zinc/49/43/14/488494314.db2.gz YLZPOSPNCRVHNE-WBVHZDCISA-N 2 2 365.449 0.804 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000248166558 488494346 /nfs/dbraw/zinc/49/43/46/488494346.db2.gz TVKILUYBNKKONP-DLBZAZTESA-N 2 2 352.523 0.630 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000248166558 488494347 /nfs/dbraw/zinc/49/43/47/488494347.db2.gz TVKILUYBNKKONP-DLBZAZTESA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1CO ZINC000248900421 488503839 /nfs/dbraw/zinc/50/38/39/488503839.db2.gz HFSOOBKPKIKWHZ-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1CO ZINC000248900421 488503840 /nfs/dbraw/zinc/50/38/40/488503840.db2.gz HFSOOBKPKIKWHZ-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000248889613 488503925 /nfs/dbraw/zinc/50/39/25/488503925.db2.gz APUNELKXPNELDJ-RBUKOAKNSA-N 2 2 363.502 0.765 20 0 FCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000248889613 488503927 /nfs/dbraw/zinc/50/39/27/488503927.db2.gz APUNELKXPNELDJ-RBUKOAKNSA-N 2 2 363.502 0.765 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000249109567 488505936 /nfs/dbraw/zinc/50/59/36/488505936.db2.gz XPQWOABVSZADLR-OTWHNJEPSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000249109567 488505938 /nfs/dbraw/zinc/50/59/38/488505938.db2.gz XPQWOABVSZADLR-OTWHNJEPSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)[C@@H](C)C2)CCO1 ZINC000249109567 488505939 /nfs/dbraw/zinc/50/59/39/488505939.db2.gz XPQWOABVSZADLR-OTWHNJEPSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000249132366 488506867 /nfs/dbraw/zinc/50/68/67/488506867.db2.gz SWFBVBRQHULRBM-JYJNAYRXSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000249132366 488506868 /nfs/dbraw/zinc/50/68/68/488506868.db2.gz SWFBVBRQHULRBM-JYJNAYRXSA-N 2 2 356.511 0.582 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000105079207 488507169 /nfs/dbraw/zinc/50/71/69/488507169.db2.gz KCSXZVRKFQGVTB-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000105079207 488507173 /nfs/dbraw/zinc/50/71/73/488507173.db2.gz KCSXZVRKFQGVTB-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000105104328 488507194 /nfs/dbraw/zinc/50/71/94/488507194.db2.gz GUYARYATHRYOTB-KRWDZBQOSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105111924 488508399 /nfs/dbraw/zinc/50/83/99/488508399.db2.gz DZBKNGLNUGOUCR-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105111924 488508401 /nfs/dbraw/zinc/50/84/01/488508401.db2.gz DZBKNGLNUGOUCR-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCOC[C@H]3C)CC2)C1 ZINC000249587223 488512777 /nfs/dbraw/zinc/51/27/77/488512777.db2.gz OOHXKKHQVQMDGJ-MOPGFXCFSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCN3CCOC[C@H]3C)CC2)C1 ZINC000249587223 488512778 /nfs/dbraw/zinc/51/27/78/488512778.db2.gz OOHXKKHQVQMDGJ-MOPGFXCFSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCOC[C@H]3C)CC2)C1 ZINC000249587223 488512779 /nfs/dbraw/zinc/51/27/79/488512779.db2.gz OOHXKKHQVQMDGJ-MOPGFXCFSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(CC[NH+]3CCOC[C@H]3C)CC2)C1 ZINC000249587223 488512780 /nfs/dbraw/zinc/51/27/80/488512780.db2.gz OOHXKKHQVQMDGJ-MOPGFXCFSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@@H+]3CCOC[C@H]3C)CC2)C1 ZINC000249587223 488512781 /nfs/dbraw/zinc/51/27/81/488512781.db2.gz OOHXKKHQVQMDGJ-MOPGFXCFSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](CN2CCN(CC[N@H+]3CCOC[C@H]3C)CC2)C1 ZINC000249587223 488512782 /nfs/dbraw/zinc/51/27/82/488512782.db2.gz OOHXKKHQVQMDGJ-MOPGFXCFSA-N 2 2 354.539 0.434 20 0 FCADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249594406 488513210 /nfs/dbraw/zinc/51/32/10/488513210.db2.gz WKPLENMPGGZOIP-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249594406 488513212 /nfs/dbraw/zinc/51/32/12/488513212.db2.gz WKPLENMPGGZOIP-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249594406 488513213 /nfs/dbraw/zinc/51/32/13/488513213.db2.gz WKPLENMPGGZOIP-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249594406 488513215 /nfs/dbraw/zinc/51/32/15/488513215.db2.gz WKPLENMPGGZOIP-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000251710854 488516889 /nfs/dbraw/zinc/51/68/89/488516889.db2.gz KKWXRDXFQHJWOQ-ROUUACIJSA-N 2 2 361.490 0.876 20 0 FCADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000251710854 488516891 /nfs/dbraw/zinc/51/68/91/488516891.db2.gz KKWXRDXFQHJWOQ-ROUUACIJSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000251710854 488516892 /nfs/dbraw/zinc/51/68/92/488516892.db2.gz KKWXRDXFQHJWOQ-ROUUACIJSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000251710854 488516894 /nfs/dbraw/zinc/51/68/94/488516894.db2.gz KKWXRDXFQHJWOQ-ROUUACIJSA-N 2 2 361.490 0.876 20 0 FCADLP COC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000251938342 488517568 /nfs/dbraw/zinc/51/75/68/488517568.db2.gz ULOUMVQATPFJHI-IRXDYDNUSA-N 2 2 362.474 0.856 20 0 FCADLP COC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000251938342 488517571 /nfs/dbraw/zinc/51/75/71/488517571.db2.gz ULOUMVQATPFJHI-IRXDYDNUSA-N 2 2 362.474 0.856 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000107832965 488518446 /nfs/dbraw/zinc/51/84/46/488518446.db2.gz GRKKAQVLQHKQJR-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663728 488519277 /nfs/dbraw/zinc/51/92/77/488519277.db2.gz DPRLMFJJMKYJJW-KLHDSHLOSA-N 2 2 368.503 0.800 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663728 488519280 /nfs/dbraw/zinc/51/92/80/488519280.db2.gz DPRLMFJJMKYJJW-KLHDSHLOSA-N 2 2 368.503 0.800 20 0 FCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608653 488530923 /nfs/dbraw/zinc/53/09/23/488530923.db2.gz ALGYWLMHXYCEPW-WFASDCNBSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608653 488530926 /nfs/dbraw/zinc/53/09/26/488530926.db2.gz ALGYWLMHXYCEPW-WFASDCNBSA-N 2 2 354.476 0.324 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000111811672 488531505 /nfs/dbraw/zinc/53/15/05/488531505.db2.gz NPTVOWUNXALERU-QGZVFWFLSA-N 2 2 356.511 0.707 20 0 FCADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000112921574 488537002 /nfs/dbraw/zinc/53/70/02/488537002.db2.gz SFRGRKDYIWKFIE-UHFFFAOYSA-N 2 2 374.489 0.668 20 0 FCADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000112921574 488537004 /nfs/dbraw/zinc/53/70/04/488537004.db2.gz SFRGRKDYIWKFIE-UHFFFAOYSA-N 2 2 374.489 0.668 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)S(C)(=O)=O ZINC000271697975 488539873 /nfs/dbraw/zinc/53/98/73/488539873.db2.gz NCKBPFTXNXZDID-UHFFFAOYSA-N 2 2 373.523 0.381 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1)S(C)(=O)=O ZINC000271697975 488539872 /nfs/dbraw/zinc/53/98/72/488539872.db2.gz NCKBPFTXNXZDID-UHFFFAOYSA-N 2 2 373.523 0.381 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562999 488540988 /nfs/dbraw/zinc/54/09/88/488540988.db2.gz XZVYEDWPWGBSCS-IBGZPJMESA-N 3 2 365.566 0.687 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562999 488540991 /nfs/dbraw/zinc/54/09/91/488540991.db2.gz XZVYEDWPWGBSCS-IBGZPJMESA-N 3 2 365.566 0.687 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000119208155 488556057 /nfs/dbraw/zinc/55/60/57/488556057.db2.gz GDMVREAEVBUQFI-KRWDZBQOSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000119208155 488556060 /nfs/dbraw/zinc/55/60/60/488556060.db2.gz GDMVREAEVBUQFI-KRWDZBQOSA-N 2 2 370.538 0.833 20 0 FCADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000271963078 488556138 /nfs/dbraw/zinc/55/61/38/488556138.db2.gz HAXITCHIZNNAES-CQSZACIVSA-N 2 2 365.430 0.479 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569942805 491205767 /nfs/dbraw/zinc/20/57/67/491205767.db2.gz XTEAMUYMDFFGNJ-ZWKOTPCHSA-N 2 2 374.485 0.473 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569942805 491205768 /nfs/dbraw/zinc/20/57/68/491205768.db2.gz XTEAMUYMDFFGNJ-ZWKOTPCHSA-N 2 2 374.485 0.473 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000272154185 488565133 /nfs/dbraw/zinc/56/51/33/488565133.db2.gz XZHSFHSZCDVDLL-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000272154185 488565135 /nfs/dbraw/zinc/56/51/35/488565135.db2.gz XZHSFHSZCDVDLL-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000272154185 488565137 /nfs/dbraw/zinc/56/51/37/488565137.db2.gz XZHSFHSZCDVDLL-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000272154185 488565140 /nfs/dbraw/zinc/56/51/40/488565140.db2.gz XZHSFHSZCDVDLL-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP COCC1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC000262386166 488567618 /nfs/dbraw/zinc/56/76/18/488567618.db2.gz OUYBZHUMLBWZTA-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000562996619 491206402 /nfs/dbraw/zinc/20/64/02/491206402.db2.gz RRYTVKNXBFUZME-KYHPRHEASA-N 2 2 351.495 0.449 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000562996619 491206404 /nfs/dbraw/zinc/20/64/04/491206404.db2.gz RRYTVKNXBFUZME-KYHPRHEASA-N 2 2 351.495 0.449 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccsc1 ZINC000262394562 488568077 /nfs/dbraw/zinc/56/80/77/488568077.db2.gz OQCXUQOSJTVCSK-ZDUSSCGKSA-N 2 2 359.517 0.634 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000121909558 488572683 /nfs/dbraw/zinc/57/26/83/488572683.db2.gz FNFSMAZPMGCHKV-MJGOQNOKSA-N 2 2 364.490 0.672 20 0 FCADLP CC(C)NC(=O)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262625380 488582881 /nfs/dbraw/zinc/58/28/81/488582881.db2.gz QDBFSUJFVDCTEY-KRWDZBQOSA-N 2 2 357.458 0.832 20 0 FCADLP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000262682169 488585982 /nfs/dbraw/zinc/58/59/82/488585982.db2.gz YJFHNAUDWHGGKO-INIZCTEOSA-N 2 2 361.446 0.829 20 0 FCADLP COc1cc(OC)cc([C@@H](NC(=O)[C@H]2C[NH2+]CCO2)c2[nH+]ccn2C)c1 ZINC000262679487 488586137 /nfs/dbraw/zinc/58/61/37/488586137.db2.gz WGDDOCADGLJVMX-HZPDHXFCSA-N 2 2 360.414 0.631 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000262756620 488590554 /nfs/dbraw/zinc/59/05/54/488590554.db2.gz DMUWZUQPGZAEHN-IBGZPJMESA-N 2 2 365.441 0.886 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000554590292 491211690 /nfs/dbraw/zinc/21/16/90/491211690.db2.gz WXLCQUCELMCXNI-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000263265931 488608294 /nfs/dbraw/zinc/60/82/94/488608294.db2.gz VBXBXWBXJZWFQH-SFHVURJKSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000263271441 488608688 /nfs/dbraw/zinc/60/86/88/488608688.db2.gz SFHOSKRVQUIRED-LPHOPBHVSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000263643574 488614884 /nfs/dbraw/zinc/61/48/84/488614884.db2.gz CIVLKEWLNAPGGJ-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000263813198 488628910 /nfs/dbraw/zinc/62/89/10/488628910.db2.gz XFWAZLKJYCMDDY-OAHLLOKOSA-N 2 2 365.478 0.684 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000263813198 488628913 /nfs/dbraw/zinc/62/89/13/488628913.db2.gz XFWAZLKJYCMDDY-OAHLLOKOSA-N 2 2 365.478 0.684 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068449 491213592 /nfs/dbraw/zinc/21/35/92/491213592.db2.gz XNAXHZDTXGIKOO-TUUVXOQKSA-N 2 2 352.458 0.772 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068449 491213594 /nfs/dbraw/zinc/21/35/94/491213594.db2.gz XNAXHZDTXGIKOO-TUUVXOQKSA-N 2 2 352.458 0.772 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130633959 488639470 /nfs/dbraw/zinc/63/94/70/488639470.db2.gz RWOVUTFZBMPACL-HZPDHXFCSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130633959 488639472 /nfs/dbraw/zinc/63/94/72/488639472.db2.gz RWOVUTFZBMPACL-HZPDHXFCSA-N 2 2 365.522 0.807 20 0 FCADLP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000131291212 488644502 /nfs/dbraw/zinc/64/45/02/488644502.db2.gz YXFLSVYKCMPUKJ-CVEARBPZSA-N 2 2 359.474 0.754 20 0 FCADLP NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000131290594 488644807 /nfs/dbraw/zinc/64/48/07/488644807.db2.gz YXFLSVYKCMPUKJ-JKSUJKDBSA-N 2 2 359.474 0.754 20 0 FCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264169703 488652107 /nfs/dbraw/zinc/65/21/07/488652107.db2.gz HOGPYENSRPCRSU-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264169703 488652109 /nfs/dbraw/zinc/65/21/09/488652109.db2.gz HOGPYENSRPCRSU-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CN1CC[NH+](C)CC1 ZINC000132475183 488653468 /nfs/dbraw/zinc/65/34/68/488653468.db2.gz ZPDXDPNALZNTPN-UHFFFAOYSA-N 2 2 359.518 0.514 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133109315 488657836 /nfs/dbraw/zinc/65/78/36/488657836.db2.gz JTQWAOZTAHHZSL-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133109315 488657838 /nfs/dbraw/zinc/65/78/38/488657838.db2.gz JTQWAOZTAHHZSL-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP C[NH+](C)CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000133546569 488660645 /nfs/dbraw/zinc/66/06/45/488660645.db2.gz IIRDJOSNOBKTJQ-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000134631234 488667940 /nfs/dbraw/zinc/66/79/40/488667940.db2.gz YKVJRPAFTIOCIJ-IRXDYDNUSA-N 2 2 366.506 0.746 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]21 ZINC000134631234 488667942 /nfs/dbraw/zinc/66/79/42/488667942.db2.gz YKVJRPAFTIOCIJ-IRXDYDNUSA-N 2 2 366.506 0.746 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000135936889 488676016 /nfs/dbraw/zinc/67/60/16/488676016.db2.gz HSYYASJTTHUGEY-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000136951113 488679807 /nfs/dbraw/zinc/67/98/07/488679807.db2.gz MZXQKKHMUJTRGI-INIZCTEOSA-N 2 2 374.489 0.832 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000136951113 488679808 /nfs/dbraw/zinc/67/98/08/488679808.db2.gz MZXQKKHMUJTRGI-INIZCTEOSA-N 2 2 374.489 0.832 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000137312676 488680714 /nfs/dbraw/zinc/68/07/14/488680714.db2.gz RLWOASGELLHXCV-NVXWUHKLSA-N 2 2 362.474 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000137312558 488680759 /nfs/dbraw/zinc/68/07/59/488680759.db2.gz RLWOASGELLHXCV-WBVHZDCISA-N 2 2 362.474 0.815 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccn1 ZINC000137296743 488680934 /nfs/dbraw/zinc/68/09/34/488680934.db2.gz DCFIHUCUWHGWDP-KRWDZBQOSA-N 2 2 362.474 0.959 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000137754410 488681380 /nfs/dbraw/zinc/68/13/80/488681380.db2.gz JRMXZADGJCUKDN-IAGOWNOFSA-N 2 2 354.495 0.600 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000137754410 488681382 /nfs/dbraw/zinc/68/13/82/488681382.db2.gz JRMXZADGJCUKDN-IAGOWNOFSA-N 2 2 354.495 0.600 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000264590808 488688223 /nfs/dbraw/zinc/68/82/23/488688223.db2.gz DOCHJXNQRBFKIW-CQSZACIVSA-N 2 2 362.478 0.851 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1 ZINC000274177254 488688485 /nfs/dbraw/zinc/68/84/85/488688485.db2.gz IKKYJWSPNYGSCL-QGZVFWFLSA-N 2 2 355.504 0.931 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000264717313 488702441 /nfs/dbraw/zinc/70/24/41/488702441.db2.gz KHVCNRKYZKWXAA-QGZVFWFLSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000264717313 488702444 /nfs/dbraw/zinc/70/24/44/488702444.db2.gz KHVCNRKYZKWXAA-QGZVFWFLSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000264737175 488705417 /nfs/dbraw/zinc/70/54/17/488705417.db2.gz OCQWCTOILGLRMO-GOSISDBHSA-N 2 2 356.474 0.976 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000264737175 488705420 /nfs/dbraw/zinc/70/54/20/488705420.db2.gz OCQWCTOILGLRMO-GOSISDBHSA-N 2 2 356.474 0.976 20 0 FCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)N1CCCS1(=O)=O ZINC000152493754 488719059 /nfs/dbraw/zinc/71/90/59/488719059.db2.gz UEYZPLYHFDISIO-INIZCTEOSA-N 2 2 374.551 0.189 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000563094840 491215036 /nfs/dbraw/zinc/21/50/36/491215036.db2.gz DRMCRSRELRXODN-XHSDSOJGSA-N 2 2 353.442 0.169 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000563094840 491215037 /nfs/dbraw/zinc/21/50/37/491215037.db2.gz DRMCRSRELRXODN-XHSDSOJGSA-N 2 2 353.442 0.169 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000152874267 488724058 /nfs/dbraw/zinc/72/40/58/488724058.db2.gz JJDIGTBJZQDABL-GASCZTMLSA-N 2 2 369.473 0.744 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000152874267 488724060 /nfs/dbraw/zinc/72/40/60/488724060.db2.gz JJDIGTBJZQDABL-GASCZTMLSA-N 2 2 369.473 0.744 20 0 FCADLP COC(=O)CCNC(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154046813 488737746 /nfs/dbraw/zinc/73/77/46/488737746.db2.gz VCSPAXIEGQOKHU-IYBDPMFKSA-N 2 2 354.495 0.156 20 0 FCADLP COC(=O)CCNC(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154046813 488737747 /nfs/dbraw/zinc/73/77/47/488737747.db2.gz VCSPAXIEGQOKHU-IYBDPMFKSA-N 2 2 354.495 0.156 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc(OC)c1 ZINC000267018179 488753454 /nfs/dbraw/zinc/75/34/54/488753454.db2.gz UWMFNNWMRJEEFK-SFHVURJKSA-N 2 2 363.458 0.679 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc(OC)c1 ZINC000267018179 488753457 /nfs/dbraw/zinc/75/34/57/488753457.db2.gz UWMFNNWMRJEEFK-SFHVURJKSA-N 2 2 363.458 0.679 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000155902191 488760104 /nfs/dbraw/zinc/76/01/04/488760104.db2.gz KELJHUCCXMMBTD-QZTJIDSGSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000155902191 488760107 /nfs/dbraw/zinc/76/01/07/488760107.db2.gz KELJHUCCXMMBTD-QZTJIDSGSA-N 2 2 369.554 0.526 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156200421 488763125 /nfs/dbraw/zinc/76/31/25/488763125.db2.gz AFRCKZLNZQSVFD-ROUUACIJSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC(C[NH3+])CC1 ZINC000563146255 491220808 /nfs/dbraw/zinc/22/08/08/491220808.db2.gz QWDLBBOXOGKMER-UHFFFAOYSA-N 2 2 353.488 0.833 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ncnc4ccsc43)CC2)CC1 ZINC000275178520 488769486 /nfs/dbraw/zinc/76/94/86/488769486.db2.gz AENYCGBVWMEPEC-UHFFFAOYSA-N 2 2 374.514 0.977 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CCSC1 ZINC000267254002 488772567 /nfs/dbraw/zinc/77/25/67/488772567.db2.gz BYZDJVIBWXJEDK-KRWDZBQOSA-N 2 2 374.470 0.759 20 0 FCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC000158271223 488776989 /nfs/dbraw/zinc/77/69/89/488776989.db2.gz IRVOAUCZDGEAAW-KURKYZTESA-N 2 2 351.491 0.998 20 0 FCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC000158271223 488776990 /nfs/dbraw/zinc/77/69/90/488776990.db2.gz IRVOAUCZDGEAAW-KURKYZTESA-N 2 2 351.491 0.998 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000277097904 488787692 /nfs/dbraw/zinc/78/76/92/488787692.db2.gz UXLLQEYBWGYOQZ-INIZCTEOSA-N 2 2 373.461 0.589 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccco1 ZINC000267529266 488794404 /nfs/dbraw/zinc/79/44/04/488794404.db2.gz UWXCUUWJHOAOSG-CYBMUJFWSA-N 2 2 351.451 0.473 20 0 FCADLP Cn1nncc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000267536333 488795264 /nfs/dbraw/zinc/79/52/64/488795264.db2.gz WAEJJWHVHFRSFU-AWEZNQCLSA-N 2 2 358.450 0.200 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000161798389 488798773 /nfs/dbraw/zinc/79/87/73/488798773.db2.gz KSGJDOXTJSIBCZ-ZWKOTPCHSA-N 2 2 369.554 0.765 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000278085603 488799728 /nfs/dbraw/zinc/79/97/28/488799728.db2.gz YDAALXNGQMRRGD-IBGZPJMESA-N 2 2 372.513 0.956 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000563131683 491218725 /nfs/dbraw/zinc/21/87/25/491218725.db2.gz DWZWKYOLKSBMGK-CYBMUJFWSA-N 2 2 371.528 0.795 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000563131683 491218728 /nfs/dbraw/zinc/21/87/28/491218728.db2.gz DWZWKYOLKSBMGK-CYBMUJFWSA-N 2 2 371.528 0.795 20 0 FCADLP COC(=O)[C@@]1(F)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000267618258 488805070 /nfs/dbraw/zinc/80/50/70/488805070.db2.gz CWOVUTKBWUPCAX-GOSISDBHSA-N 2 2 364.421 0.707 20 0 FCADLP COC(=O)[C@@]1(F)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000267618258 488805073 /nfs/dbraw/zinc/80/50/73/488805073.db2.gz CWOVUTKBWUPCAX-GOSISDBHSA-N 2 2 364.421 0.707 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000563152506 491222767 /nfs/dbraw/zinc/22/27/67/491222767.db2.gz BFHARILSHJRLOQ-QMHWVQJVSA-N 2 2 357.520 0.470 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000563152506 491222770 /nfs/dbraw/zinc/22/27/70/491222770.db2.gz BFHARILSHJRLOQ-QMHWVQJVSA-N 2 2 357.520 0.470 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000166130967 488811594 /nfs/dbraw/zinc/81/15/94/488811594.db2.gz CUGXUTVPNQGXCM-CQSZACIVSA-N 2 2 366.487 0.561 20 0 FCADLP CNC(=O)CC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000170792573 488816335 /nfs/dbraw/zinc/81/63/35/488816335.db2.gz FKQRECJYICPVOS-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CNC(=O)CC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000170792573 488816337 /nfs/dbraw/zinc/81/63/37/488816337.db2.gz FKQRECJYICPVOS-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000170837683 488816850 /nfs/dbraw/zinc/81/68/50/488816850.db2.gz PECFZAQKDSYPGJ-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000170837683 488816851 /nfs/dbraw/zinc/81/68/51/488816851.db2.gz PECFZAQKDSYPGJ-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171078792 488819297 /nfs/dbraw/zinc/81/92/97/488819297.db2.gz XCCJMCJUDNMYAF-AWEZNQCLSA-N 2 2 374.493 0.925 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171078792 488819299 /nfs/dbraw/zinc/81/92/99/488819299.db2.gz XCCJMCJUDNMYAF-AWEZNQCLSA-N 2 2 374.493 0.925 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC000171098800 488819678 /nfs/dbraw/zinc/81/96/78/488819678.db2.gz ZVBFKFDFVOMKOB-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC000171098800 488819679 /nfs/dbraw/zinc/81/96/79/488819679.db2.gz ZVBFKFDFVOMKOB-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP COCC[N@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171193033 488820864 /nfs/dbraw/zinc/82/08/64/488820864.db2.gz KVHLVUFLLCSMHE-SFHVURJKSA-N 2 2 364.490 0.937 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171193033 488820865 /nfs/dbraw/zinc/82/08/65/488820865.db2.gz KVHLVUFLLCSMHE-SFHVURJKSA-N 2 2 364.490 0.937 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000267795181 488820903 /nfs/dbraw/zinc/82/09/03/488820903.db2.gz HUEUTIGSFCMKOS-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000267795181 488820904 /nfs/dbraw/zinc/82/09/04/488820904.db2.gz HUEUTIGSFCMKOS-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574050 488824056 /nfs/dbraw/zinc/82/40/56/488824056.db2.gz XGDQFBRSEKVCEY-LSDHHAIUSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574050 488824057 /nfs/dbraw/zinc/82/40/57/488824057.db2.gz XGDQFBRSEKVCEY-LSDHHAIUSA-N 2 2 364.515 0.978 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000171641178 488825233 /nfs/dbraw/zinc/82/52/33/488825233.db2.gz UKHRISGQVCWQTM-SJORKVTESA-N 2 2 359.474 0.943 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000171641178 488825235 /nfs/dbraw/zinc/82/52/35/488825235.db2.gz UKHRISGQVCWQTM-SJORKVTESA-N 2 2 359.474 0.943 20 0 FCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000171940284 488828754 /nfs/dbraw/zinc/82/87/54/488828754.db2.gz SJTPKGYTOUOMEH-UHFFFAOYSA-N 2 2 360.506 0.931 20 0 FCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000171940284 488828756 /nfs/dbraw/zinc/82/87/56/488828756.db2.gz SJTPKGYTOUOMEH-UHFFFAOYSA-N 2 2 360.506 0.931 20 0 FCADLP CCc1nn(C)c(Cl)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172696859 488836665 /nfs/dbraw/zinc/83/66/65/488836665.db2.gz OYTJJILTOAZGAQ-ZDUSSCGKSA-N 2 2 369.897 0.659 20 0 FCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172697505 488836770 /nfs/dbraw/zinc/83/67/70/488836770.db2.gz YZQHMSQEXIFCHB-QGZVFWFLSA-N 2 2 360.458 0.069 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000172789461 488837997 /nfs/dbraw/zinc/83/79/97/488837997.db2.gz CQQPVTQOSNQUGY-GOSISDBHSA-N 2 2 373.545 0.800 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173657664 488844357 /nfs/dbraw/zinc/84/43/57/488844357.db2.gz FGKYHUOMQQPFKF-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000173794693 488845336 /nfs/dbraw/zinc/84/53/36/488845336.db2.gz MHKXAPJBPTVVIH-QGZVFWFLSA-N 2 2 360.506 0.789 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000173794693 488845337 /nfs/dbraw/zinc/84/53/37/488845337.db2.gz MHKXAPJBPTVVIH-QGZVFWFLSA-N 2 2 360.506 0.789 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174783748 488851100 /nfs/dbraw/zinc/85/11/00/488851100.db2.gz DTHYIQHRERJJIJ-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000175557751 488854487 /nfs/dbraw/zinc/85/44/87/488854487.db2.gz VJLXFMXRDFVRNR-KRWDZBQOSA-N 2 2 367.538 0.914 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000175557751 488854488 /nfs/dbraw/zinc/85/44/88/488854488.db2.gz VJLXFMXRDFVRNR-KRWDZBQOSA-N 2 2 367.538 0.914 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCC[N@H+](C)CCCOC)C2)CC1 ZINC000175738454 488855155 /nfs/dbraw/zinc/85/51/55/488855155.db2.gz ILNNAOZTUGRQBC-KRWDZBQOSA-N 2 2 355.527 0.376 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCC[N@@H+](C)CCCOC)C2)CC1 ZINC000175738454 488855156 /nfs/dbraw/zinc/85/51/56/488855156.db2.gz ILNNAOZTUGRQBC-KRWDZBQOSA-N 2 2 355.527 0.376 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000176339509 488858194 /nfs/dbraw/zinc/85/81/94/488858194.db2.gz ZDRMQXARYODYFN-QGZVFWFLSA-N 2 2 369.554 0.811 20 0 FCADLP CCn1c2ccccc2n(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1=O ZINC000177130450 488859173 /nfs/dbraw/zinc/85/91/73/488859173.db2.gz DEHKJJJYVGPOML-UHFFFAOYSA-N 2 2 373.501 0.965 20 0 FCADLP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648659 488860419 /nfs/dbraw/zinc/86/04/19/488860419.db2.gz KWMOMEWKCNFPHE-LLVKDONJSA-N 2 2 352.401 0.443 20 0 FCADLP CN(C(=O)C[C@@H]1CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329150358 488974373 /nfs/dbraw/zinc/97/43/73/488974373.db2.gz RMIUXTLDFSTLQP-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4n[nH]cc4c3)C2)CC1 ZINC000364753788 488997398 /nfs/dbraw/zinc/99/73/98/488997398.db2.gz HAMJVQQPYJJWPJ-HNNXBMFYSA-N 2 2 370.457 0.786 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4n[nH]cc4c3)C2)CC1 ZINC000364753788 488997400 /nfs/dbraw/zinc/99/74/00/488997400.db2.gz HAMJVQQPYJJWPJ-HNNXBMFYSA-N 2 2 370.457 0.786 20 0 FCADLP CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000288758284 489013194 /nfs/dbraw/zinc/01/31/94/489013194.db2.gz JLTFNRHKWQOPCQ-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000288758284 489013198 /nfs/dbraw/zinc/01/31/98/489013198.db2.gz JLTFNRHKWQOPCQ-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP CN(C)CC[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000288758284 489013201 /nfs/dbraw/zinc/01/32/01/489013201.db2.gz JLTFNRHKWQOPCQ-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP CN(C)CC[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000288758284 489013204 /nfs/dbraw/zinc/01/32/04/489013204.db2.gz JLTFNRHKWQOPCQ-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP CN(CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)CC[NH+](C)C ZINC000288758284 489013206 /nfs/dbraw/zinc/01/32/06/489013206.db2.gz JLTFNRHKWQOPCQ-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP CN(CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)CC[NH+](C)C ZINC000288758284 489013209 /nfs/dbraw/zinc/01/32/09/489013209.db2.gz JLTFNRHKWQOPCQ-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP COCCOCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364940997 489021382 /nfs/dbraw/zinc/02/13/82/489021382.db2.gz NSWDWJMTABHDRI-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP COCCOCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364940997 489021383 /nfs/dbraw/zinc/02/13/83/489021383.db2.gz NSWDWJMTABHDRI-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000329874677 489043851 /nfs/dbraw/zinc/04/38/51/489043851.db2.gz FWYAVDPXKUULPB-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000329874677 489043854 /nfs/dbraw/zinc/04/38/54/489043854.db2.gz FWYAVDPXKUULPB-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000329874677 489043855 /nfs/dbraw/zinc/04/38/55/489043855.db2.gz FWYAVDPXKUULPB-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000329874677 489043858 /nfs/dbraw/zinc/04/38/58/489043858.db2.gz FWYAVDPXKUULPB-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1cc[nH+]c1 ZINC000563236023 491230160 /nfs/dbraw/zinc/23/01/60/491230160.db2.gz NJEXNHCFYSQNFY-ZDUSSCGKSA-N 2 2 354.418 0.860 20 0 FCADLP CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(N)=O ZINC000289283579 489055587 /nfs/dbraw/zinc/05/55/87/489055587.db2.gz GMFOGWRYITVROT-IBGZPJMESA-N 2 2 362.474 0.947 20 0 FCADLP COc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000289282364 489055925 /nfs/dbraw/zinc/05/59/25/489055925.db2.gz STMAWFWDFDWMIN-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000289282364 489055926 /nfs/dbraw/zinc/05/59/26/489055926.db2.gz STMAWFWDFDWMIN-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1c[nH+]c2ccc(C)cn12 ZINC000281246415 489062296 /nfs/dbraw/zinc/06/22/96/489062296.db2.gz MDHUHPSTOXGHMZ-UHFFFAOYSA-N 2 2 359.474 0.865 20 0 FCADLP C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000365327477 489064444 /nfs/dbraw/zinc/06/44/44/489064444.db2.gz OUEAZKVJEKXLGQ-OKZBNKHCSA-N 2 2 367.538 0.517 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000330103469 489068698 /nfs/dbraw/zinc/06/86/98/489068698.db2.gz GVNLQQWDQDQGFX-KRWDZBQOSA-N 2 2 369.473 0.443 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000330103469 489068699 /nfs/dbraw/zinc/06/86/99/489068699.db2.gz GVNLQQWDQDQGFX-KRWDZBQOSA-N 2 2 369.473 0.443 20 0 FCADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205853 489080322 /nfs/dbraw/zinc/08/03/22/489080322.db2.gz DTAXWHLZIYWIQN-DLBZAZTESA-N 2 2 359.536 0.984 20 0 FCADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205853 489080324 /nfs/dbraw/zinc/08/03/24/489080324.db2.gz DTAXWHLZIYWIQN-DLBZAZTESA-N 2 2 359.536 0.984 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1CCO ZINC000330221857 489081453 /nfs/dbraw/zinc/08/14/53/489081453.db2.gz MAGLFQZIZNXSHA-INIZCTEOSA-N 2 2 366.531 0.391 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1CCO ZINC000330221857 489081455 /nfs/dbraw/zinc/08/14/55/489081455.db2.gz MAGLFQZIZNXSHA-INIZCTEOSA-N 2 2 366.531 0.391 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329756 489091690 /nfs/dbraw/zinc/09/16/90/489091690.db2.gz MWBNITLWYAJTDS-HNNXBMFYSA-N 2 2 360.524 0.185 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329756 489091692 /nfs/dbraw/zinc/09/16/92/489091692.db2.gz MWBNITLWYAJTDS-HNNXBMFYSA-N 2 2 360.524 0.185 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)CC2)C1 ZINC000365622418 489094192 /nfs/dbraw/zinc/09/41/92/489094192.db2.gz XRRKFZUUPVBTHJ-QGZVFWFLSA-N 2 2 365.522 0.273 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)CC2)C1 ZINC000365622418 489094193 /nfs/dbraw/zinc/09/41/93/489094193.db2.gz XRRKFZUUPVBTHJ-QGZVFWFLSA-N 2 2 365.522 0.273 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000289821650 489095719 /nfs/dbraw/zinc/09/57/19/489095719.db2.gz JKZUPUIWVHVOPF-ZHALLVOQSA-N 2 2 361.486 0.959 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000554935465 491233184 /nfs/dbraw/zinc/23/31/84/491233184.db2.gz FWVSZPXSXSECJN-DLTWYDFYSA-N 2 2 355.479 0.484 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000554935465 491233187 /nfs/dbraw/zinc/23/31/87/491233187.db2.gz FWVSZPXSXSECJN-DLTWYDFYSA-N 2 2 355.479 0.484 20 0 FCADLP C[C@H](O)C[N@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000289985720 489106663 /nfs/dbraw/zinc/10/66/63/489106663.db2.gz XZXPEDUUZDBDDM-HNNXBMFYSA-N 2 2 351.447 0.132 20 0 FCADLP C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000289985720 489106665 /nfs/dbraw/zinc/10/66/65/489106665.db2.gz XZXPEDUUZDBDDM-HNNXBMFYSA-N 2 2 351.447 0.132 20 0 FCADLP CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290093362 489114292 /nfs/dbraw/zinc/11/42/92/489114292.db2.gz HFAXWHAPGSRFMX-INIZCTEOSA-N 2 2 362.478 0.939 20 0 FCADLP CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290093362 489114295 /nfs/dbraw/zinc/11/42/95/489114295.db2.gz HFAXWHAPGSRFMX-INIZCTEOSA-N 2 2 362.478 0.939 20 0 FCADLP C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000281924972 489117229 /nfs/dbraw/zinc/11/72/29/489117229.db2.gz CYUKNWDGFHYWLQ-UKRRQHHQSA-N 2 2 357.462 0.790 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270985 489126588 /nfs/dbraw/zinc/12/65/88/489126588.db2.gz AEYIOSRCTOXCHD-YCPHGPKFSA-N 2 2 357.458 0.375 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270985 489126589 /nfs/dbraw/zinc/12/65/89/489126589.db2.gz AEYIOSRCTOXCHD-YCPHGPKFSA-N 2 2 357.458 0.375 20 0 FCADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000290292191 489128313 /nfs/dbraw/zinc/12/83/13/489128313.db2.gz HCODAVNMTHCYHV-STQMWFEESA-N 2 2 354.476 0.219 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000366079339 489142121 /nfs/dbraw/zinc/14/21/21/489142121.db2.gz LRPLTLOXSXTQMI-ZWKOTPCHSA-N 2 2 367.538 0.517 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024275 491235781 /nfs/dbraw/zinc/23/57/81/491235781.db2.gz HRFQSMHCJGMWDR-HOCLYGCPSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024275 491235784 /nfs/dbraw/zinc/23/57/84/491235784.db2.gz HRFQSMHCJGMWDR-HOCLYGCPSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024275 491235786 /nfs/dbraw/zinc/23/57/86/491235786.db2.gz HRFQSMHCJGMWDR-HOCLYGCPSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024275 491235788 /nfs/dbraw/zinc/23/57/88/491235788.db2.gz HRFQSMHCJGMWDR-HOCLYGCPSA-N 2 2 365.478 0.320 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164885 489153655 /nfs/dbraw/zinc/15/36/55/489153655.db2.gz XCHIKDUZUCNKEH-SJLPKXTDSA-N 2 2 367.538 0.422 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164885 489153658 /nfs/dbraw/zinc/15/36/58/489153658.db2.gz XCHIKDUZUCNKEH-SJLPKXTDSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164885 489153662 /nfs/dbraw/zinc/15/36/62/489153662.db2.gz XCHIKDUZUCNKEH-SJLPKXTDSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164885 489153665 /nfs/dbraw/zinc/15/36/65/489153665.db2.gz XCHIKDUZUCNKEH-SJLPKXTDSA-N 2 2 367.538 0.422 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200469 489157072 /nfs/dbraw/zinc/15/70/72/489157072.db2.gz YOCDMYPLHRTIPD-MSOLQXFVSA-N 2 2 367.538 0.421 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200469 489157076 /nfs/dbraw/zinc/15/70/76/489157076.db2.gz YOCDMYPLHRTIPD-MSOLQXFVSA-N 2 2 367.538 0.421 20 0 FCADLP CS[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000330927876 489158065 /nfs/dbraw/zinc/15/80/65/489158065.db2.gz YRKRTUCFTGHVMS-KBPBESRZSA-N 2 2 351.538 0.016 20 0 FCADLP CS[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000330927879 489158119 /nfs/dbraw/zinc/15/81/19/489158119.db2.gz YRKRTUCFTGHVMS-ZIAGYGMSSA-N 2 2 351.538 0.016 20 0 FCADLP CC[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000331140957 489177208 /nfs/dbraw/zinc/17/72/08/489177208.db2.gz UKBPZLRCLJWPGN-KRWDZBQOSA-N 2 2 367.538 0.023 20 0 FCADLP CC[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000331140958 489177446 /nfs/dbraw/zinc/17/74/46/489177446.db2.gz UKBPZLRCLJWPGN-QGZVFWFLSA-N 2 2 367.538 0.023 20 0 FCADLP CN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCSC1 ZINC000331394383 489205814 /nfs/dbraw/zinc/20/58/14/489205814.db2.gz BQZTXHMUICCGEQ-MRXNPFEDSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000283102273 489215473 /nfs/dbraw/zinc/21/54/73/489215473.db2.gz AVINBVNKFQXZJH-MRXNPFEDSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000283102273 489215475 /nfs/dbraw/zinc/21/54/75/489215475.db2.gz AVINBVNKFQXZJH-MRXNPFEDSA-N 2 2 369.469 0.952 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332565034 489221307 /nfs/dbraw/zinc/22/13/07/489221307.db2.gz APVQDSNUFKGXFT-HNNXBMFYSA-N 2 2 365.499 0.942 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332565034 489221309 /nfs/dbraw/zinc/22/13/09/489221309.db2.gz APVQDSNUFKGXFT-HNNXBMFYSA-N 2 2 365.499 0.942 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000283164489 489221744 /nfs/dbraw/zinc/22/17/44/489221744.db2.gz GBSYRNGTUAWIEJ-INIZCTEOSA-N 2 2 361.421 0.948 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297702071 489226675 /nfs/dbraw/zinc/22/66/75/489226675.db2.gz BZEVODZCMADUOX-IBGZPJMESA-N 2 2 357.458 0.284 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000297702071 489226678 /nfs/dbraw/zinc/22/66/78/489226678.db2.gz BZEVODZCMADUOX-IBGZPJMESA-N 2 2 357.458 0.284 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233765 489231278 /nfs/dbraw/zinc/23/12/78/489231278.db2.gz CEZJBXAMUCQZHB-GDBMZVCRSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233765 489231282 /nfs/dbraw/zinc/23/12/82/489231282.db2.gz CEZJBXAMUCQZHB-GDBMZVCRSA-N 2 2 355.442 0.893 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369462973 489240666 /nfs/dbraw/zinc/24/06/66/489240666.db2.gz NCGUHZRTZMHYFU-DLBZAZTESA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369462973 489240670 /nfs/dbraw/zinc/24/06/70/489240670.db2.gz NCGUHZRTZMHYFU-DLBZAZTESA-N 3 2 367.538 0.517 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297788224 489240900 /nfs/dbraw/zinc/24/09/00/489240900.db2.gz RCNAURRPQMHOOM-CVEARBPZSA-N 2 2 365.478 0.329 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000369464693 489241160 /nfs/dbraw/zinc/24/11/60/489241160.db2.gz RQPBMRJDEOTENH-XIRDDKMYSA-N 2 2 354.495 0.648 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000369464693 489241161 /nfs/dbraw/zinc/24/11/61/489241161.db2.gz RQPBMRJDEOTENH-XIRDDKMYSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000369490067 489244834 /nfs/dbraw/zinc/24/48/34/489244834.db2.gz MTFGUOCKKBCHNT-XMTFNYHQSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000369490067 489244836 /nfs/dbraw/zinc/24/48/36/489244836.db2.gz MTFGUOCKKBCHNT-XMTFNYHQSA-N 2 2 368.522 0.726 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCN1C ZINC000332951919 489249988 /nfs/dbraw/zinc/24/99/88/489249988.db2.gz CFDVPIGIJVOSKY-PBHICJAKSA-N 2 2 366.535 0.856 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000332965882 489251366 /nfs/dbraw/zinc/25/13/66/489251366.db2.gz CZUHVENYMYFZMG-PKOBYXMFSA-N 2 2 351.491 0.999 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCOC2)O1 ZINC000332965882 489251370 /nfs/dbraw/zinc/25/13/70/489251370.db2.gz CZUHVENYMYFZMG-PKOBYXMFSA-N 2 2 351.491 0.999 20 0 FCADLP CN1CC[C@H]([N@H+](C)CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000369551372 489251418 /nfs/dbraw/zinc/25/14/18/489251418.db2.gz CONSAJDCGHQKGU-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CN1CC[C@H]([N@@H+](C)CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000369551372 489251420 /nfs/dbraw/zinc/25/14/20/489251420.db2.gz CONSAJDCGHQKGU-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332993859 489255136 /nfs/dbraw/zinc/25/51/36/489255136.db2.gz CGVCWSNVKCOMAW-IRXDYDNUSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000333035642 489257289 /nfs/dbraw/zinc/25/72/89/489257289.db2.gz NIMUYLZQGMXCBA-KBPBESRZSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000333035642 489257293 /nfs/dbraw/zinc/25/72/93/489257293.db2.gz NIMUYLZQGMXCBA-KBPBESRZSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)[C@H]1CCSC1 ZINC000333035642 489257294 /nfs/dbraw/zinc/25/72/94/489257294.db2.gz NIMUYLZQGMXCBA-KBPBESRZSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)[C@H]1CCSC1 ZINC000333035642 489257298 /nfs/dbraw/zinc/25/72/98/489257298.db2.gz NIMUYLZQGMXCBA-KBPBESRZSA-N 2 2 364.519 0.529 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613534 489257819 /nfs/dbraw/zinc/25/78/19/489257819.db2.gz MABOPDAILIJPHD-IAGOWNOFSA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613534 489257822 /nfs/dbraw/zinc/25/78/22/489257822.db2.gz MABOPDAILIJPHD-IAGOWNOFSA-N 2 2 367.490 0.442 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000297932904 489264997 /nfs/dbraw/zinc/26/49/97/489264997.db2.gz DTELJDRHQWLEAV-YVSFHVDLSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000297932904 489265001 /nfs/dbraw/zinc/26/50/01/489265001.db2.gz DTELJDRHQWLEAV-YVSFHVDLSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000297959917 489269458 /nfs/dbraw/zinc/26/94/58/489269458.db2.gz XCAYCTIHWJOZTR-FUHWJXTLSA-N 2 2 374.485 0.027 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000297959917 489269461 /nfs/dbraw/zinc/26/94/61/489269461.db2.gz XCAYCTIHWJOZTR-FUHWJXTLSA-N 2 2 374.485 0.027 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H]1n1cc[nH+]c1 ZINC000297963817 489269683 /nfs/dbraw/zinc/26/96/83/489269683.db2.gz VVBWVGCDFAPJGQ-MDZRGWNJSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H]1n1cc[nH+]c1 ZINC000297963817 489269685 /nfs/dbraw/zinc/26/96/85/489269685.db2.gz VVBWVGCDFAPJGQ-MDZRGWNJSA-N 2 2 359.474 0.847 20 0 FCADLP COCCOC[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790941 489276190 /nfs/dbraw/zinc/27/61/90/489276190.db2.gz PCJKFXOXQKFJJF-IRXDYDNUSA-N 2 2 368.522 0.849 20 0 FCADLP COCCOC[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790941 489276192 /nfs/dbraw/zinc/27/61/92/489276192.db2.gz PCJKFXOXQKFJJF-IRXDYDNUSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000298007869 489277479 /nfs/dbraw/zinc/27/74/79/489277479.db2.gz BURZRMCQBXYKGK-WBVHZDCISA-N 2 2 354.520 0.883 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000298007869 489277481 /nfs/dbraw/zinc/27/74/81/489277481.db2.gz BURZRMCQBXYKGK-WBVHZDCISA-N 2 2 354.520 0.883 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000369839180 489280484 /nfs/dbraw/zinc/28/04/84/489280484.db2.gz CSVGCGTZTLKYFO-UHFFFAOYSA-N 2 2 369.535 0.866 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000369839180 489280487 /nfs/dbraw/zinc/28/04/87/489280487.db2.gz CSVGCGTZTLKYFO-UHFFFAOYSA-N 2 2 369.535 0.866 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccsc1 ZINC000283633388 489283588 /nfs/dbraw/zinc/28/35/88/489283588.db2.gz AFMCEFPNKXBPRM-CQSZACIVSA-N 2 2 370.544 0.632 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082662 489287826 /nfs/dbraw/zinc/28/78/26/489287826.db2.gz SZFIWPXFJQPRQH-JKSUJKDBSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082662 489287828 /nfs/dbraw/zinc/28/78/28/489287828.db2.gz SZFIWPXFJQPRQH-JKSUJKDBSA-N 2 2 359.474 0.529 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000369951139 489296213 /nfs/dbraw/zinc/29/62/13/489296213.db2.gz LLDQPBUYQBGFTK-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000369951139 489296217 /nfs/dbraw/zinc/29/62/17/489296217.db2.gz LLDQPBUYQBGFTK-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP Cn1cc(C[C@@H]2CC[N@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)cn1 ZINC000370009478 489303161 /nfs/dbraw/zinc/30/31/61/489303161.db2.gz NHHOYPWJNLQQDE-INIZCTEOSA-N 2 2 363.506 0.512 20 0 FCADLP Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)cn1 ZINC000370009478 489303162 /nfs/dbraw/zinc/30/31/62/489303162.db2.gz NHHOYPWJNLQQDE-INIZCTEOSA-N 2 2 363.506 0.512 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370066831 489312537 /nfs/dbraw/zinc/31/25/37/489312537.db2.gz UXZJNRLBFJVKGC-WBVHZDCISA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370066831 489312539 /nfs/dbraw/zinc/31/25/39/489312539.db2.gz UXZJNRLBFJVKGC-WBVHZDCISA-N 2 2 362.478 0.964 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000370069814 489313036 /nfs/dbraw/zinc/31/30/36/489313036.db2.gz KMFSNTHAPGUYIS-ZWKOTPCHSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCO1 ZINC000370069814 489313038 /nfs/dbraw/zinc/31/30/38/489313038.db2.gz KMFSNTHAPGUYIS-ZWKOTPCHSA-N 2 2 368.522 0.994 20 0 FCADLP C[N@@H+]1CC[C@@H](c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000350155088 489334738 /nfs/dbraw/zinc/33/47/38/489334738.db2.gz KLAUAHDFBZBBKQ-CQSZACIVSA-N 2 2 356.430 0.938 20 0 FCADLP C[N@H+]1CC[C@@H](c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000350155088 489334742 /nfs/dbraw/zinc/33/47/42/489334742.db2.gz KLAUAHDFBZBBKQ-CQSZACIVSA-N 2 2 356.430 0.938 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000298664986 489350623 /nfs/dbraw/zinc/35/06/23/489350623.db2.gz JTOHXYFETMGWKK-UHFFFAOYSA-N 2 2 363.462 0.317 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561239 491249662 /nfs/dbraw/zinc/24/96/62/491249662.db2.gz BOPSDRIBOVMYPR-PKOBYXMFSA-N 2 2 362.474 0.426 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561239 491249664 /nfs/dbraw/zinc/24/96/64/491249664.db2.gz BOPSDRIBOVMYPR-PKOBYXMFSA-N 2 2 362.474 0.426 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000370557646 489374151 /nfs/dbraw/zinc/37/41/51/489374151.db2.gz LJRKYZCEERCKNB-FGTMMUONSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000370557650 489374634 /nfs/dbraw/zinc/37/46/34/489374634.db2.gz LJRKYZCEERCKNB-KURKYZTESA-N 2 2 368.522 0.897 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370603021 489380769 /nfs/dbraw/zinc/38/07/69/489380769.db2.gz ISYNSBLZHDSYDD-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP C[N@H+](CCC(N)=O)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000286400120 489387845 /nfs/dbraw/zinc/38/78/45/489387845.db2.gz JMOASOSPEWTDCQ-UHFFFAOYSA-N 2 2 350.488 0.981 20 0 FCADLP C[N@@H+](CCC(N)=O)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000286400120 489387847 /nfs/dbraw/zinc/38/78/47/489387847.db2.gz JMOASOSPEWTDCQ-UHFFFAOYSA-N 2 2 350.488 0.981 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000362711393 489393923 /nfs/dbraw/zinc/39/39/23/489393923.db2.gz PPDOJXSCLRKTLQ-AWEZNQCLSA-N 2 2 358.442 0.916 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000362711393 489393927 /nfs/dbraw/zinc/39/39/27/489393927.db2.gz PPDOJXSCLRKTLQ-AWEZNQCLSA-N 2 2 358.442 0.916 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CNC(N)=O)cc1 ZINC000299065648 489401384 /nfs/dbraw/zinc/40/13/84/489401384.db2.gz JSTIRTOWCSACKO-UHFFFAOYSA-N 2 2 361.490 0.953 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CNC(N)=O)cc1 ZINC000299065648 489401385 /nfs/dbraw/zinc/40/13/85/489401385.db2.gz JSTIRTOWCSACKO-UHFFFAOYSA-N 2 2 361.490 0.953 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286532292 489401792 /nfs/dbraw/zinc/40/17/92/489401792.db2.gz IAUOVIICNHLYEO-LSDHHAIUSA-N 2 2 365.478 0.313 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930220 489405855 /nfs/dbraw/zinc/40/58/55/489405855.db2.gz BQNQMHPKFXFEAX-IRXDYDNUSA-N 2 2 369.425 0.790 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930220 489405859 /nfs/dbraw/zinc/40/58/59/489405859.db2.gz BQNQMHPKFXFEAX-IRXDYDNUSA-N 2 2 369.425 0.790 20 0 FCADLP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000299105898 489406206 /nfs/dbraw/zinc/40/62/06/489406206.db2.gz ZDRFGUWLZMUIJV-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000286591170 489407363 /nfs/dbraw/zinc/40/73/63/489407363.db2.gz HUICYAXURKKWFW-MRXNPFEDSA-N 2 2 355.442 0.817 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000286591170 489407366 /nfs/dbraw/zinc/40/73/66/489407366.db2.gz HUICYAXURKKWFW-MRXNPFEDSA-N 2 2 355.442 0.817 20 0 FCADLP CN(C(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839114 489409424 /nfs/dbraw/zinc/40/94/24/489409424.db2.gz HNACZOLKUFNBAB-SFHVURJKSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccc(-n2cnnn2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839114 489409428 /nfs/dbraw/zinc/40/94/28/489409428.db2.gz HNACZOLKUFNBAB-SFHVURJKSA-N 2 2 369.473 0.903 20 0 FCADLP CC[C@]1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000370846532 489410483 /nfs/dbraw/zinc/41/04/83/489410483.db2.gz MUDXEMGDZRBSIA-IBGZPJMESA-N 2 2 359.474 0.626 20 0 FCADLP CCS(=O)(=O)NCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000570625652 491254047 /nfs/dbraw/zinc/25/40/47/491254047.db2.gz FBICQCOTDXZXGP-AWEZNQCLSA-N 2 2 354.476 0.543 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000299389804 489436790 /nfs/dbraw/zinc/43/67/90/489436790.db2.gz TYIMVMLDJMYVQW-ZDUSSCGKSA-N 2 2 360.466 0.535 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363218322 489439656 /nfs/dbraw/zinc/43/96/56/489439656.db2.gz HPNXHSAALAMMQJ-HUUCEWRRSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218322 489439661 /nfs/dbraw/zinc/43/96/61/489439661.db2.gz HPNXHSAALAMMQJ-HUUCEWRRSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286915167 489443004 /nfs/dbraw/zinc/44/30/04/489443004.db2.gz PWAUVKWODCRNMH-HNNXBMFYSA-N 2 2 355.442 0.769 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286915167 489443010 /nfs/dbraw/zinc/44/30/10/489443010.db2.gz PWAUVKWODCRNMH-HNNXBMFYSA-N 2 2 355.442 0.769 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000299485317 489446572 /nfs/dbraw/zinc/44/65/72/489446572.db2.gz IDKKBGCFXGGBMU-CHWSQXEVSA-N 2 2 350.419 0.644 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312869 489451122 /nfs/dbraw/zinc/45/11/22/489451122.db2.gz CBAIATIVQDZJKZ-UONOGXRCSA-N 2 2 360.462 0.047 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)C2)CC1 ZINC000363312869 489451125 /nfs/dbraw/zinc/45/11/25/489451125.db2.gz CBAIATIVQDZJKZ-UONOGXRCSA-N 2 2 360.462 0.047 20 0 FCADLP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000299612668 489462637 /nfs/dbraw/zinc/46/26/37/489462637.db2.gz XXBHAHNXGZNRGM-CQSZACIVSA-N 2 2 354.476 0.143 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)CC1 ZINC000363572323 489480374 /nfs/dbraw/zinc/48/03/74/489480374.db2.gz CTSCLEVYXYCKSQ-KDOFPFPSSA-N 2 2 350.463 0.955 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)CC1 ZINC000363572323 489480375 /nfs/dbraw/zinc/48/03/75/489480375.db2.gz CTSCLEVYXYCKSQ-KDOFPFPSSA-N 2 2 350.463 0.955 20 0 FCADLP CN(Cc1ccccc1)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000371567822 489488668 /nfs/dbraw/zinc/48/86/68/489488668.db2.gz DLSMFJZVAOPCOD-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCC[NH2+]C2)cn1 ZINC000563595952 491256915 /nfs/dbraw/zinc/25/69/15/491256915.db2.gz AEHNZTRNXGHDCV-BPUTZDHNSA-N 2 2 352.458 0.631 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCC[NH2+]C2)cn1 ZINC000563595952 491256918 /nfs/dbraw/zinc/25/69/18/491256918.db2.gz AEHNZTRNXGHDCV-BPUTZDHNSA-N 2 2 352.458 0.631 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@H](C)[NH2+]1 ZINC000423115233 489494238 /nfs/dbraw/zinc/49/42/38/489494238.db2.gz MZYWPHSTLASHCO-GASCZTMLSA-N 2 2 364.515 0.644 20 0 FCADLP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000371676600 489496620 /nfs/dbraw/zinc/49/66/20/489496620.db2.gz ZCTFNBBIKYETTO-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000371676600 489496623 /nfs/dbraw/zinc/49/66/23/489496623.db2.gz ZCTFNBBIKYETTO-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000423218452 489503964 /nfs/dbraw/zinc/50/39/64/489503964.db2.gz VNYXJUHPFZYWNZ-CABCVRRESA-N 2 2 360.458 0.733 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423256519 489507976 /nfs/dbraw/zinc/50/79/76/489507976.db2.gz FLKRILVUVNHLKB-RDJZCZTQSA-N 2 2 374.485 0.721 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423297372 489512835 /nfs/dbraw/zinc/51/28/35/489512835.db2.gz KAPZZQCWHUGOSB-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423297372 489512837 /nfs/dbraw/zinc/51/28/37/489512837.db2.gz KAPZZQCWHUGOSB-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000415308604 489514747 /nfs/dbraw/zinc/51/47/47/489514747.db2.gz ZCDQCWDXIWBAKT-WMLDXEAASA-N 2 2 360.458 0.839 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(Cl)cc(C[N@@H+]3C[C@@H](O)[C@H](OC)C3)c2)C[C@H]1O ZINC000451758885 489522459 /nfs/dbraw/zinc/52/24/59/489522459.db2.gz KAVHCYNEFSYCFR-BRSBDYLESA-N 2 2 370.877 0.723 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(Cl)cc(C[N@H+]3C[C@@H](O)[C@H](OC)C3)c2)C[C@H]1O ZINC000451758885 489522461 /nfs/dbraw/zinc/52/24/61/489522461.db2.gz KAVHCYNEFSYCFR-BRSBDYLESA-N 2 2 370.877 0.723 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000415472514 489523881 /nfs/dbraw/zinc/52/38/81/489523881.db2.gz XJAPYRZOWMKTHT-UHFFFAOYSA-N 2 2 361.490 0.616 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000415515257 489526089 /nfs/dbraw/zinc/52/60/89/489526089.db2.gz HTANMDDMTZBQRU-HNNXBMFYSA-N 2 2 361.490 0.474 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415544089 489527741 /nfs/dbraw/zinc/52/77/41/489527741.db2.gz STCIDONZKHCBHC-NVXWUHKLSA-N 2 2 373.501 0.568 20 0 FCADLP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000451945412 489532896 /nfs/dbraw/zinc/53/28/96/489532896.db2.gz TUIANNYJTCODEB-HZPDHXFCSA-N 2 2 353.488 0.786 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371994885 489533149 /nfs/dbraw/zinc/53/31/49/489533149.db2.gz YYIHHZPFTKZEPU-ZWKOTPCHSA-N 2 2 352.523 0.774 20 0 FCADLP CCN1CC[NH+](CCC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371994885 489533152 /nfs/dbraw/zinc/53/31/52/489533152.db2.gz YYIHHZPFTKZEPU-ZWKOTPCHSA-N 2 2 352.523 0.774 20 0 FCADLP COC[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451941126 489533188 /nfs/dbraw/zinc/53/31/88/489533188.db2.gz ZGFCFHNVJPOLDY-SFHVURJKSA-N 2 2 367.515 0.723 20 0 FCADLP COC[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451941126 489533190 /nfs/dbraw/zinc/53/31/90/489533190.db2.gz ZGFCFHNVJPOLDY-SFHVURJKSA-N 2 2 367.515 0.723 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(OC)cn3)CC2)CC1 ZINC000452053221 489541360 /nfs/dbraw/zinc/54/13/60/489541360.db2.gz XKWJEHUSVXLVHG-MRXNPFEDSA-N 2 2 361.490 0.765 20 0 FCADLP COCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000425946958 489550306 /nfs/dbraw/zinc/55/03/06/489550306.db2.gz YOWBDXRHJZLXAE-UHFFFAOYSA-N 2 2 355.523 0.816 20 0 FCADLP COCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCOCC1 ZINC000425946958 489550309 /nfs/dbraw/zinc/55/03/09/489550309.db2.gz YOWBDXRHJZLXAE-UHFFFAOYSA-N 2 2 355.523 0.816 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426049872 489553668 /nfs/dbraw/zinc/55/36/68/489553668.db2.gz NFQSEHWNBIVGFM-HZPDHXFCSA-N 2 2 367.538 0.946 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415828468 489556431 /nfs/dbraw/zinc/55/64/31/489556431.db2.gz HYTKKXWSPFJKFS-CKEIUWERSA-N 2 2 360.458 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1O ZINC000426146946 489557136 /nfs/dbraw/zinc/55/71/36/489557136.db2.gz BBAQXVVBHGANMM-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1O ZINC000426146946 489557139 /nfs/dbraw/zinc/55/71/39/489557139.db2.gz BBAQXVVBHGANMM-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000454839983 489578929 /nfs/dbraw/zinc/57/89/29/489578929.db2.gz ZWZAUIRKGBOYGS-UHFFFAOYSA-N 2 2 366.510 1.457 20 0 FCADLP Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372419208 489582689 /nfs/dbraw/zinc/58/26/89/489582689.db2.gz BMVIJXFZIPZHDN-OAHLLOKOSA-N 2 2 371.489 0.813 20 0 FCADLP Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372419208 489582692 /nfs/dbraw/zinc/58/26/92/489582692.db2.gz BMVIJXFZIPZHDN-OAHLLOKOSA-N 2 2 371.489 0.813 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535223 489596652 /nfs/dbraw/zinc/59/66/52/489596652.db2.gz SPIQEDLXGFSCHD-HOTGVXAUSA-N 2 2 365.478 0.912 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535223 489596655 /nfs/dbraw/zinc/59/66/55/489596655.db2.gz SPIQEDLXGFSCHD-HOTGVXAUSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535223 489596657 /nfs/dbraw/zinc/59/66/57/489596657.db2.gz SPIQEDLXGFSCHD-HOTGVXAUSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535223 489596661 /nfs/dbraw/zinc/59/66/61/489596661.db2.gz SPIQEDLXGFSCHD-HOTGVXAUSA-N 2 2 365.478 0.912 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCO1 ZINC000563719980 491265731 /nfs/dbraw/zinc/26/57/31/491265731.db2.gz GXSVAPBPVYPKLI-MRXNPFEDSA-N 2 2 361.490 0.674 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCO1 ZINC000563719980 491265733 /nfs/dbraw/zinc/26/57/33/491265733.db2.gz GXSVAPBPVYPKLI-MRXNPFEDSA-N 2 2 361.490 0.674 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372604277 489606963 /nfs/dbraw/zinc/60/69/63/489606963.db2.gz BPWGDMAULBVKSL-INIZCTEOSA-N 2 2 357.458 0.400 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372604277 489606964 /nfs/dbraw/zinc/60/69/64/489606964.db2.gz BPWGDMAULBVKSL-INIZCTEOSA-N 2 2 357.458 0.400 20 0 FCADLP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372656047 489616947 /nfs/dbraw/zinc/61/69/47/489616947.db2.gz QVJWZZHGOSMEIM-ZNMIVQPWSA-N 2 2 353.511 0.757 20 0 FCADLP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372656047 489616951 /nfs/dbraw/zinc/61/69/51/489616951.db2.gz QVJWZZHGOSMEIM-ZNMIVQPWSA-N 2 2 353.511 0.757 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416820604 489630507 /nfs/dbraw/zinc/63/05/07/489630507.db2.gz KYDXYPLMDMPLQW-AWEZNQCLSA-N 2 2 356.492 0.657 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999208 489631334 /nfs/dbraw/zinc/63/13/34/489631334.db2.gz SWLGPQQHTRYGDR-KRWDZBQOSA-N 2 2 365.474 0.909 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416862753 489631770 /nfs/dbraw/zinc/63/17/70/489631770.db2.gz MECTWHMVJCHLNG-UHFFFAOYSA-N 2 2 361.490 0.223 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(CC[NH3+])CCO)cc1 ZINC000416880987 489633132 /nfs/dbraw/zinc/63/31/32/489633132.db2.gz FTTOMHCDCMWOPF-KRWDZBQOSA-N 2 2 350.463 0.331 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428044713 489634358 /nfs/dbraw/zinc/63/43/58/489634358.db2.gz UUEXQWJRGHYEJY-OAGGEKHMSA-N 2 2 360.458 0.636 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428044713 489634360 /nfs/dbraw/zinc/63/43/60/489634360.db2.gz UUEXQWJRGHYEJY-OAGGEKHMSA-N 2 2 360.458 0.636 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416945939 489635270 /nfs/dbraw/zinc/63/52/70/489635270.db2.gz FNWIWOYFJORKPM-QGZVFWFLSA-N 2 2 356.474 0.677 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417083331 489640629 /nfs/dbraw/zinc/64/06/29/489640629.db2.gz STRDQSBJGLBXJW-QAPCUYQASA-N 2 2 374.489 0.830 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417166188 489643985 /nfs/dbraw/zinc/64/39/85/489643985.db2.gz ZARRINXTMPECRU-CVEARBPZSA-N 2 2 361.494 0.415 20 0 FCADLP C[C@@H](C[NH3+])N(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417298290 489646935 /nfs/dbraw/zinc/64/69/35/489646935.db2.gz PSLOOPKLEZYJDZ-HNNXBMFYSA-N 2 2 350.463 0.886 20 0 FCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417305418 489647494 /nfs/dbraw/zinc/64/74/94/489647494.db2.gz AUTLFYRYYMGSMV-HUUCEWRRSA-N 2 2 350.463 0.933 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000417315933 489648102 /nfs/dbraw/zinc/64/81/02/489648102.db2.gz DLYIQOKVVVAJPI-QGZVFWFLSA-N 2 2 362.474 0.901 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@@H](C)O1 ZINC000457555518 489649029 /nfs/dbraw/zinc/64/90/29/489649029.db2.gz COWFKFPLMBPGSJ-YYIAUSFCSA-N 2 2 370.538 0.971 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@@H](C)O1 ZINC000457555518 489649034 /nfs/dbraw/zinc/64/90/34/489649034.db2.gz COWFKFPLMBPGSJ-YYIAUSFCSA-N 2 2 370.538 0.971 20 0 FCADLP [NH3+]C[C@H]1CCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417369707 489650301 /nfs/dbraw/zinc/65/03/01/489650301.db2.gz RHMAPVMZVJCUDT-OAHLLOKOSA-N 2 2 360.462 0.253 20 0 FCADLP COC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000428988586 489669621 /nfs/dbraw/zinc/66/96/21/489669621.db2.gz BKPMZFCVFPWQTH-YESZJQIVSA-N 2 2 362.474 0.902 20 0 FCADLP C[C@@H](CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000458114439 489670642 /nfs/dbraw/zinc/67/06/42/489670642.db2.gz ZBZMJPCRHSVOHI-HNNXBMFYSA-N 2 2 362.478 0.370 20 0 FCADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000563809166 491270527 /nfs/dbraw/zinc/27/05/27/491270527.db2.gz PAMFSMZYKSKULB-HNNXBMFYSA-N 2 2 361.471 0.751 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000429259603 489678309 /nfs/dbraw/zinc/67/83/09/489678309.db2.gz YNWBPRAZWJZQJR-UHFFFAOYSA-N 2 2 368.507 0.870 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000429259603 489678312 /nfs/dbraw/zinc/67/83/12/489678312.db2.gz YNWBPRAZWJZQJR-UHFFFAOYSA-N 2 2 368.507 0.870 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000458519006 489687274 /nfs/dbraw/zinc/68/72/74/489687274.db2.gz QLNTXDYIALNRAV-UHFFFAOYSA-N 2 2 365.526 0.701 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000458519006 489687275 /nfs/dbraw/zinc/68/72/75/489687275.db2.gz QLNTXDYIALNRAV-UHFFFAOYSA-N 2 2 365.526 0.701 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418408623 489696580 /nfs/dbraw/zinc/69/65/80/489696580.db2.gz UXMODDPMUOYHGF-QQFBHYJXSA-N 2 2 369.510 0.125 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000570914891 491273326 /nfs/dbraw/zinc/27/33/26/491273326.db2.gz HBTHUZLQSWRFIT-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000570914891 491273328 /nfs/dbraw/zinc/27/33/28/491273328.db2.gz HBTHUZLQSWRFIT-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418434278 489697999 /nfs/dbraw/zinc/69/79/99/489697999.db2.gz FIMLBIGEZOMZAW-OAHLLOKOSA-N 2 2 369.510 0.078 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000458794658 489703428 /nfs/dbraw/zinc/70/34/28/489703428.db2.gz MEBIBMVZZLXBLB-QGZVFWFLSA-N 2 2 367.538 0.565 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000458794658 489703432 /nfs/dbraw/zinc/70/34/32/489703432.db2.gz MEBIBMVZZLXBLB-QGZVFWFLSA-N 2 2 367.538 0.565 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000458794658 489703439 /nfs/dbraw/zinc/70/34/39/489703439.db2.gz MEBIBMVZZLXBLB-QGZVFWFLSA-N 2 2 367.538 0.565 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458854649 489705611 /nfs/dbraw/zinc/70/56/11/489705611.db2.gz QALLCFAUMWRRHD-KRWDZBQOSA-N 2 2 356.511 0.587 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458863570 489706719 /nfs/dbraw/zinc/70/67/19/489706719.db2.gz YVPIZEGTNUDCGK-UHFFFAOYSA-N 2 2 353.511 0.844 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418611922 489710155 /nfs/dbraw/zinc/71/01/55/489710155.db2.gz IDEHBKROJSBNLU-CYBMUJFWSA-N 2 2 362.400 0.751 20 0 FCADLP CCOC(=O)COCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458957509 489710282 /nfs/dbraw/zinc/71/02/82/489710282.db2.gz BNIRDFQQRCXQHG-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP CCOC(=O)COCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000458957509 489710285 /nfs/dbraw/zinc/71/02/85/489710285.db2.gz BNIRDFQQRCXQHG-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418631006 489713434 /nfs/dbraw/zinc/71/34/34/489713434.db2.gz XPZFXCMPJIWLKG-HNNXBMFYSA-N 2 2 372.477 0.712 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000555796886 491273462 /nfs/dbraw/zinc/27/34/62/491273462.db2.gz PGBGZHUFOHQZNX-KBPBESRZSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000555796886 491273464 /nfs/dbraw/zinc/27/34/64/491273464.db2.gz PGBGZHUFOHQZNX-KBPBESRZSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418707613 489719537 /nfs/dbraw/zinc/71/95/37/489719537.db2.gz BRQROSMTEGBYLK-QLFBSQMISA-N 2 2 351.495 0.498 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn21 ZINC000418785695 489726978 /nfs/dbraw/zinc/72/69/78/489726978.db2.gz DKZPOLYWPMVPTK-BPUTZDHNSA-N 2 2 355.442 0.845 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)cn21 ZINC000418800483 489730252 /nfs/dbraw/zinc/73/02/52/489730252.db2.gz XBNBFHZUCOXGML-GXTWGEPZSA-N 2 2 359.430 0.488 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)cn21 ZINC000418800492 489730276 /nfs/dbraw/zinc/73/02/76/489730276.db2.gz XBNBFHZUCOXGML-JSGCOSHPSA-N 2 2 359.430 0.488 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489853343 489731035 /nfs/dbraw/zinc/73/10/35/489731035.db2.gz BLSUYXUPHFXRKG-GOSISDBHSA-N 2 2 360.502 0.778 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCOc1cccc(F)c1 ZINC000489886533 489733623 /nfs/dbraw/zinc/73/36/23/489733623.db2.gz RWROIAVDXKSZJE-MRXNPFEDSA-N 2 2 350.438 0.300 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489957481 489737400 /nfs/dbraw/zinc/73/74/00/489737400.db2.gz QFGABPSRJDBJBX-ZIAGYGMSSA-N 2 2 363.437 0.842 20 0 FCADLP CCNC(=O)C(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459557043 489738886 /nfs/dbraw/zinc/73/88/86/489738886.db2.gz CJOTYLCEHAIYKX-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP CCNC(=O)C(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459583572 489740696 /nfs/dbraw/zinc/74/06/96/489740696.db2.gz GYWJFBQDJULCOY-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418831582 489744284 /nfs/dbraw/zinc/74/42/84/489744284.db2.gz KYJJYGJTRJWOSC-ZWKOTPCHSA-N 2 2 374.485 0.343 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418831582 489744286 /nfs/dbraw/zinc/74/42/86/489744286.db2.gz KYJJYGJTRJWOSC-ZWKOTPCHSA-N 2 2 374.485 0.343 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000570956199 491276167 /nfs/dbraw/zinc/27/61/67/491276167.db2.gz XQGBFGCKBHFJKS-KRWDZBQOSA-N 3 2 361.490 0.165 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000570956199 491276168 /nfs/dbraw/zinc/27/61/68/491276168.db2.gz XQGBFGCKBHFJKS-KRWDZBQOSA-N 3 2 361.490 0.165 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956199 491276169 /nfs/dbraw/zinc/27/61/69/491276169.db2.gz XQGBFGCKBHFJKS-KRWDZBQOSA-N 2 2 361.490 0.165 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000570956199 491276170 /nfs/dbraw/zinc/27/61/70/491276170.db2.gz XQGBFGCKBHFJKS-KRWDZBQOSA-N 2 2 361.490 0.165 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000430573106 489747382 /nfs/dbraw/zinc/74/73/82/489747382.db2.gz PUTNCMGMMKIYPJ-PXAZEXFGSA-N 2 2 368.503 0.575 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836522 489747581 /nfs/dbraw/zinc/74/75/81/489747581.db2.gz RKCAYYKXDOBDAQ-BPQIPLTHSA-N 2 2 374.485 0.260 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836522 489747584 /nfs/dbraw/zinc/74/75/84/489747584.db2.gz RKCAYYKXDOBDAQ-BPQIPLTHSA-N 2 2 374.485 0.260 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836524 489747820 /nfs/dbraw/zinc/74/78/20/489747820.db2.gz RKCAYYKXDOBDAQ-NJAFHUGGSA-N 2 2 374.485 0.260 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836524 489747823 /nfs/dbraw/zinc/74/78/23/489747823.db2.gz RKCAYYKXDOBDAQ-NJAFHUGGSA-N 2 2 374.485 0.260 20 0 FCADLP CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000459768594 489751639 /nfs/dbraw/zinc/75/16/39/489751639.db2.gz GPNHIYFJSGLAFA-CABCVRRESA-N 2 2 373.461 0.169 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608287 489752509 /nfs/dbraw/zinc/75/25/09/489752509.db2.gz FAUVJDLKSUFKCO-GJZGRUSLSA-N 2 2 362.474 0.625 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608287 489752513 /nfs/dbraw/zinc/75/25/13/489752513.db2.gz FAUVJDLKSUFKCO-GJZGRUSLSA-N 2 2 362.474 0.625 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418846718 489753219 /nfs/dbraw/zinc/75/32/19/489753219.db2.gz SPEXFCHUTLNABT-HIFRSBDPSA-N 2 2 371.441 0.718 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418845719 489753293 /nfs/dbraw/zinc/75/32/93/489753293.db2.gz PDMGHMWLFVCUCV-JKSUJKDBSA-N 2 2 353.426 0.556 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2c1 ZINC000418844776 489753471 /nfs/dbraw/zinc/75/34/71/489753471.db2.gz LCOORXZWMJODDM-BPUTZDHNSA-N 2 2 355.442 0.845 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000555855391 491276809 /nfs/dbraw/zinc/27/68/09/491276809.db2.gz YZRLMRCTIHWDSO-MRXNPFEDSA-N 2 2 356.511 0.306 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000555855391 491276811 /nfs/dbraw/zinc/27/68/11/491276811.db2.gz YZRLMRCTIHWDSO-MRXNPFEDSA-N 2 2 356.511 0.306 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000555855644 491276848 /nfs/dbraw/zinc/27/68/48/491276848.db2.gz AMABLXFWMSQYLC-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000555855644 491276851 /nfs/dbraw/zinc/27/68/51/491276851.db2.gz AMABLXFWMSQYLC-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000555855149 491276914 /nfs/dbraw/zinc/27/69/14/491276914.db2.gz QEMFFVACDFPPNF-SJORKVTESA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000555855149 491276915 /nfs/dbraw/zinc/27/69/15/491276915.db2.gz QEMFFVACDFPPNF-SJORKVTESA-N 2 2 368.522 0.260 20 0 FCADLP CN(CCOc1ccccc1F)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430627899 489757811 /nfs/dbraw/zinc/75/78/11/489757811.db2.gz NULZQSUIHUOIGV-UHFFFAOYSA-N 2 2 366.437 0.027 20 0 FCADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430627899 489757813 /nfs/dbraw/zinc/75/78/13/489757813.db2.gz NULZQSUIHUOIGV-UHFFFAOYSA-N 2 2 366.437 0.027 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430632254 489758764 /nfs/dbraw/zinc/75/87/64/489758764.db2.gz XNPNZMKFCJHVHX-QGZVFWFLSA-N 2 2 362.449 0.993 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430632254 489758769 /nfs/dbraw/zinc/75/87/69/489758769.db2.gz XNPNZMKFCJHVHX-QGZVFWFLSA-N 2 2 362.449 0.993 20 0 FCADLP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631058 489759112 /nfs/dbraw/zinc/75/91/12/489759112.db2.gz ZRAWUDIOEYIPAF-HZPDHXFCSA-N 2 2 369.473 0.867 20 0 FCADLP C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631058 489759117 /nfs/dbraw/zinc/75/91/17/489759117.db2.gz ZRAWUDIOEYIPAF-HZPDHXFCSA-N 2 2 369.473 0.867 20 0 FCADLP CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000430643816 489761855 /nfs/dbraw/zinc/76/18/55/489761855.db2.gz MHWZUEJQXURJCR-UHFFFAOYSA-N 2 2 360.502 0.819 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000430643816 489761857 /nfs/dbraw/zinc/76/18/57/489761857.db2.gz MHWZUEJQXURJCR-UHFFFAOYSA-N 3 2 360.502 0.819 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000430643816 489761862 /nfs/dbraw/zinc/76/18/62/489761862.db2.gz MHWZUEJQXURJCR-UHFFFAOYSA-N 3 2 360.502 0.819 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@H]1CCO ZINC000459828705 489761912 /nfs/dbraw/zinc/76/19/12/489761912.db2.gz FHYRXOUPDLMZLE-KRWDZBQOSA-N 2 2 368.522 0.234 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@H]1CCO ZINC000459828705 489761916 /nfs/dbraw/zinc/76/19/16/489761916.db2.gz FHYRXOUPDLMZLE-KRWDZBQOSA-N 2 2 368.522 0.234 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000563921383 491277377 /nfs/dbraw/zinc/27/73/77/491277377.db2.gz AIWIIPGPDUWOSK-UHFFFAOYSA-N 2 2 350.463 0.749 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000555858467 491277520 /nfs/dbraw/zinc/27/75/20/491277520.db2.gz XGBDJWRZBPCUMU-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC000555858467 491277521 /nfs/dbraw/zinc/27/75/21/491277521.db2.gz XGBDJWRZBPCUMU-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000459857131 489770268 /nfs/dbraw/zinc/77/02/68/489770268.db2.gz CGBFSUBNUOOBEH-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474581028 489771057 /nfs/dbraw/zinc/77/10/57/489771057.db2.gz MPAYIHQONNYDIN-HUUCEWRRSA-N 2 2 350.467 0.519 20 0 FCADLP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474581028 489771060 /nfs/dbraw/zinc/77/10/60/489771060.db2.gz MPAYIHQONNYDIN-HUUCEWRRSA-N 2 2 350.467 0.519 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000418878262 489771482 /nfs/dbraw/zinc/77/14/82/489771482.db2.gz QUSJFYNMTPZMDA-WFASDCNBSA-N 2 2 352.866 0.866 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000459859686 489771773 /nfs/dbraw/zinc/77/17/73/489771773.db2.gz FSCJVJIGGWVBHX-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CCN1CCN(C(=O)NCC[N@H+](C)CCCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474579334 489771750 /nfs/dbraw/zinc/77/17/50/489771750.db2.gz QMIIMFZWIMBJED-OAHLLOKOSA-N 2 2 352.483 0.766 20 0 FCADLP CCN1CCN(C(=O)NCC[N@@H+](C)CCCOC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474579334 489771754 /nfs/dbraw/zinc/77/17/54/489771754.db2.gz QMIIMFZWIMBJED-OAHLLOKOSA-N 2 2 352.483 0.766 20 0 FCADLP C[NH2+]CC1CC[NH+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430923045 489777120 /nfs/dbraw/zinc/77/71/20/489777120.db2.gz DGGYIJSGSYFZMT-INIZCTEOSA-N 2 2 359.536 0.590 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000459874737 489777304 /nfs/dbraw/zinc/77/73/04/489777304.db2.gz LCNLZAVIUOLINE-SFHVURJKSA-N 2 2 356.470 0.808 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000459874737 489777308 /nfs/dbraw/zinc/77/73/08/489777308.db2.gz LCNLZAVIUOLINE-SFHVURJKSA-N 2 2 356.470 0.808 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC(C[NH2+]C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430924392 489777314 /nfs/dbraw/zinc/77/73/14/489777314.db2.gz HXAVZGHCWZWGCN-INIZCTEOSA-N 2 2 359.536 0.734 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1C ZINC000430930501 489778820 /nfs/dbraw/zinc/77/88/20/489778820.db2.gz SXLRVOKROWRSRI-TZMCWYRMSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1C ZINC000430930501 489778823 /nfs/dbraw/zinc/77/88/23/489778823.db2.gz SXLRVOKROWRSRI-TZMCWYRMSA-N 2 2 354.476 0.511 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430939910 489779387 /nfs/dbraw/zinc/77/93/87/489779387.db2.gz MWAMHSANCHPMCL-OLZOCXBDSA-N 2 2 366.487 0.153 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000430939910 489779391 /nfs/dbraw/zinc/77/93/91/489779391.db2.gz MWAMHSANCHPMCL-OLZOCXBDSA-N 2 2 366.487 0.153 20 0 FCADLP C[C@@H](C[NH3+])[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430951947 489780842 /nfs/dbraw/zinc/78/08/42/489780842.db2.gz NXIRHLYZOPTHGG-AWEZNQCLSA-N 2 2 357.476 0.365 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000459884414 489780799 /nfs/dbraw/zinc/78/07/99/489780799.db2.gz KWMVTGKXNKQCQI-UHFFFAOYSA-N 2 2 372.513 0.926 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000459884414 489780804 /nfs/dbraw/zinc/78/08/04/489780804.db2.gz KWMVTGKXNKQCQI-UHFFFAOYSA-N 2 2 372.513 0.926 20 0 FCADLP C[C@@H](C[NH3+])[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430951947 489780846 /nfs/dbraw/zinc/78/08/46/489780846.db2.gz NXIRHLYZOPTHGG-AWEZNQCLSA-N 2 2 357.476 0.365 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000459888886 489781792 /nfs/dbraw/zinc/78/17/92/489781792.db2.gz UHXCEMIGZUPODU-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430968806 489782940 /nfs/dbraw/zinc/78/29/40/489782940.db2.gz XKSDAPVWCOFOGE-ZFWWWQNUSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430968806 489782943 /nfs/dbraw/zinc/78/29/43/489782943.db2.gz XKSDAPVWCOFOGE-ZFWWWQNUSA-N 2 2 352.504 0.882 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970257 489783185 /nfs/dbraw/zinc/78/31/85/489783185.db2.gz GUZLWMCSKVKCFE-QCQGSNGOSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970257 489783189 /nfs/dbraw/zinc/78/31/89/489783189.db2.gz GUZLWMCSKVKCFE-QCQGSNGOSA-N 2 2 368.503 0.569 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000430980318 489783298 /nfs/dbraw/zinc/78/32/98/489783298.db2.gz SCZOPNWJFDHFRK-UHFFFAOYSA-N 2 2 364.494 0.809 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000555871986 491278516 /nfs/dbraw/zinc/27/85/16/491278516.db2.gz BWKCMCMTVAXISV-UHFFFAOYSA-N 2 2 355.504 0.584 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459912074 489789109 /nfs/dbraw/zinc/78/91/09/489789109.db2.gz YQKQTQDQBZWPLU-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459912074 489789111 /nfs/dbraw/zinc/78/91/11/489789111.db2.gz YQKQTQDQBZWPLU-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000418915381 489790143 /nfs/dbraw/zinc/79/01/43/489790143.db2.gz ZGIPXPJJMNHLLO-MAUKXSAKSA-N 2 2 369.469 0.991 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000459915607 489791319 /nfs/dbraw/zinc/79/13/19/489791319.db2.gz HNFIGGSJMWEYCG-KRWDZBQOSA-N 2 2 368.522 0.500 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000459915607 489791322 /nfs/dbraw/zinc/79/13/22/489791322.db2.gz HNFIGGSJMWEYCG-KRWDZBQOSA-N 2 2 368.522 0.500 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000459917819 489792487 /nfs/dbraw/zinc/79/24/87/489792487.db2.gz JSCFIHFAMBUNIQ-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000459917819 489792490 /nfs/dbraw/zinc/79/24/90/489792490.db2.gz JSCFIHFAMBUNIQ-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC1 ZINC000459924760 489795294 /nfs/dbraw/zinc/79/52/94/489795294.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC1 ZINC000459924760 489795300 /nfs/dbraw/zinc/79/53/00/489795300.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000459924760 489795302 /nfs/dbraw/zinc/79/53/02/489795302.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000459924760 489795306 /nfs/dbraw/zinc/79/53/06/489795306.db2.gz VZOLFZOMOOPIMI-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418933450 489795251 /nfs/dbraw/zinc/79/52/51/489795251.db2.gz ASXKISQULISXCE-CHWSQXEVSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418933450 489795256 /nfs/dbraw/zinc/79/52/56/489795256.db2.gz ASXKISQULISXCE-CHWSQXEVSA-N 2 2 350.488 0.418 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000376781792 489795412 /nfs/dbraw/zinc/79/54/12/489795412.db2.gz BKPGSRXEPJLYEG-MRXNPFEDSA-N 2 2 368.522 0.402 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418981956 489810253 /nfs/dbraw/zinc/81/02/53/489810253.db2.gz BNNACCQNOZLLGX-GJZGRUSLSA-N 2 2 355.442 0.529 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491901020 489814192 /nfs/dbraw/zinc/81/41/92/489814192.db2.gz KHJPJFWVTVQSNH-MRXNPFEDSA-N 2 2 374.445 0.483 20 0 FCADLP C[C@](O)(CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C[NH+]1CCOCC1 ZINC000491901534 489814237 /nfs/dbraw/zinc/81/42/37/489814237.db2.gz OAIPELZYBAWSCP-SFHVURJKSA-N 2 2 374.445 0.531 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460008211 489816469 /nfs/dbraw/zinc/81/64/69/489816469.db2.gz DYYDLTUIVQAFTD-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000460008211 489816470 /nfs/dbraw/zinc/81/64/70/489816470.db2.gz DYYDLTUIVQAFTD-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000431860143 489820336 /nfs/dbraw/zinc/82/03/36/489820336.db2.gz UJDSASYMYGHOFR-UHFFFAOYSA-N 2 2 372.429 0.568 20 0 FCADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000564020041 491283722 /nfs/dbraw/zinc/28/37/22/491283722.db2.gz WHAGLQSIWIQKJU-OAHLLOKOSA-N 2 2 365.478 0.651 20 0 FCADLP COC(=O)CN1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000475333943 489821065 /nfs/dbraw/zinc/82/10/65/489821065.db2.gz OXEIVRUVINPUQR-INIZCTEOSA-N 2 2 360.458 0.805 20 0 FCADLP CCN1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1c1ncc[nH]1 ZINC000475348786 489821196 /nfs/dbraw/zinc/82/11/96/489821196.db2.gz MERIAYNDJSEEPP-KRWDZBQOSA-N 2 2 370.505 0.830 20 0 FCADLP CCN1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1c1ncc[nH]1 ZINC000475348786 489821198 /nfs/dbraw/zinc/82/11/98/489821198.db2.gz MERIAYNDJSEEPP-KRWDZBQOSA-N 2 2 370.505 0.830 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419032123 489826569 /nfs/dbraw/zinc/82/65/69/489826569.db2.gz WJBOTHZDHAULPI-GXTWGEPZSA-N 2 2 359.405 0.823 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432819904 489856430 /nfs/dbraw/zinc/85/64/30/489856430.db2.gz BMJLMZNFWPYGLS-ZDUSSCGKSA-N 2 2 355.401 0.412 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CCN(C)CC1 ZINC000492686260 489834861 /nfs/dbraw/zinc/83/48/61/489834861.db2.gz YMYHHYSQVYEVCY-OTWHNJEPSA-N 2 2 365.566 0.639 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CCN(C)CC1 ZINC000492686260 489834864 /nfs/dbraw/zinc/83/48/64/489834864.db2.gz YMYHHYSQVYEVCY-OTWHNJEPSA-N 2 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432325504 489838535 /nfs/dbraw/zinc/83/85/35/489838535.db2.gz LSDNSVOTZXCTOX-CQSZACIVSA-N 2 2 360.466 1.079 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419069119 489843646 /nfs/dbraw/zinc/84/36/46/489843646.db2.gz FVRQHGUZKKEGIC-OAHLLOKOSA-N 2 2 361.421 0.881 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(F)c1 ZINC000419070096 489844386 /nfs/dbraw/zinc/84/43/86/489844386.db2.gz GTEDRDXVHKFNTE-VNQPRFMTSA-N 2 2 371.416 0.585 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419071796 489845073 /nfs/dbraw/zinc/84/50/73/489845073.db2.gz JBVGLDDJXPVGAA-DOMZBBRYSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000419083040 489849212 /nfs/dbraw/zinc/84/92/12/489849212.db2.gz JUMVYCNULFXLKQ-TUVASFSCSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000419083040 489849222 /nfs/dbraw/zinc/84/92/22/489849222.db2.gz JUMVYCNULFXLKQ-TUVASFSCSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419083420 489850370 /nfs/dbraw/zinc/85/03/70/489850370.db2.gz RDWBVCFMDPZWOY-IUODEOHRSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000419084223 489850584 /nfs/dbraw/zinc/85/05/84/489850584.db2.gz LDZAXXQNUAUTTB-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000419084223 489850583 /nfs/dbraw/zinc/85/05/83/489850583.db2.gz LDZAXXQNUAUTTB-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(F)cc1 ZINC000419084572 489850643 /nfs/dbraw/zinc/85/06/43/489850643.db2.gz UFKZFQFCZJJZRP-HNNXBMFYSA-N 2 2 373.432 0.975 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2C(N)=O)cc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000432822612 489856311 /nfs/dbraw/zinc/85/63/11/489856311.db2.gz GISFPWIKPDCZLY-CALCHBBNSA-N 2 2 360.458 0.595 20 0 FCADLP COc1cc(C[NH+]2CCC[C@@H]2C(N)=O)cc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000432822612 489856314 /nfs/dbraw/zinc/85/63/14/489856314.db2.gz GISFPWIKPDCZLY-CALCHBBNSA-N 2 2 360.458 0.595 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2C(N)=O)cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000432822612 489856319 /nfs/dbraw/zinc/85/63/19/489856319.db2.gz GISFPWIKPDCZLY-CALCHBBNSA-N 2 2 360.458 0.595 20 0 FCADLP COc1cc(C[NH+]2CCC[C@H]2C(N)=O)cc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000432822612 489856323 /nfs/dbraw/zinc/85/63/23/489856323.db2.gz GISFPWIKPDCZLY-CALCHBBNSA-N 2 2 360.458 0.595 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419112423 489859601 /nfs/dbraw/zinc/85/96/01/489859601.db2.gz FLVYACQYJGDYCC-BRWVUGGUSA-N 2 2 368.522 0.578 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419111181 489859934 /nfs/dbraw/zinc/85/99/34/489859934.db2.gz DCHJORLIJOTCCA-NXOAAHMSSA-N 2 2 366.506 0.045 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000571062209 491283878 /nfs/dbraw/zinc/28/38/78/491283878.db2.gz OLQDJURKZDNGIU-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000571062209 491283879 /nfs/dbraw/zinc/28/38/79/491283879.db2.gz OLQDJURKZDNGIU-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419117614 489862439 /nfs/dbraw/zinc/86/24/39/489862439.db2.gz MKSHEQHGPUKBLQ-OAGGEKHMSA-N 2 2 354.495 0.093 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]21 ZINC000419118513 489863200 /nfs/dbraw/zinc/86/32/00/489863200.db2.gz NXFOOAUIZCQKOU-GVDBMIGSSA-N 2 2 371.485 0.884 20 0 FCADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419118360 489863265 /nfs/dbraw/zinc/86/32/65/489863265.db2.gz ACKLOPWOJPHMBJ-KRWDZBQOSA-N 2 2 369.469 0.848 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000419117995 489863285 /nfs/dbraw/zinc/86/32/85/489863285.db2.gz NAOYSNHCJULSAI-XHSDSOJGSA-N 2 2 354.495 0.106 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119814 489864352 /nfs/dbraw/zinc/86/43/52/489864352.db2.gz PGLDYIPIMBCTJI-HZPDHXFCSA-N 2 2 354.495 0.189 20 0 FCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419123568 489867448 /nfs/dbraw/zinc/86/74/48/489867448.db2.gz HBVFHQFNSTZVMS-WBVHZDCISA-N 2 2 369.469 0.847 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419124078 489868020 /nfs/dbraw/zinc/86/80/20/489868020.db2.gz ZAGPBTOCIMINLZ-KRWDZBQOSA-N 2 2 369.469 0.984 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000460487794 489868443 /nfs/dbraw/zinc/86/84/43/489868443.db2.gz IPUBTEJZJGZIES-UHFFFAOYSA-N 2 2 353.515 0.511 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000460487794 489868444 /nfs/dbraw/zinc/86/84/44/489868444.db2.gz IPUBTEJZJGZIES-UHFFFAOYSA-N 2 2 353.515 0.511 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)n1C ZINC000460487794 489868446 /nfs/dbraw/zinc/86/84/46/489868446.db2.gz IPUBTEJZJGZIES-UHFFFAOYSA-N 2 2 353.515 0.511 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000419981576 489871982 /nfs/dbraw/zinc/87/19/82/489871982.db2.gz UAIQNFJBOQUCRM-WBVHZDCISA-N 2 2 361.490 0.776 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCOCC2(C)C)CCCO1 ZINC000433336918 489876734 /nfs/dbraw/zinc/87/67/34/489876734.db2.gz XFSLUILRAUAVPH-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCOCC2(C)C)CCCO1 ZINC000433336918 489876739 /nfs/dbraw/zinc/87/67/39/489876739.db2.gz XFSLUILRAUAVPH-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CCCO1 ZINC000433336918 489876745 /nfs/dbraw/zinc/87/67/45/489876745.db2.gz XFSLUILRAUAVPH-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOCC2(C)C)CCCO1 ZINC000433336918 489876751 /nfs/dbraw/zinc/87/67/51/489876751.db2.gz XFSLUILRAUAVPH-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420003523 489878349 /nfs/dbraw/zinc/87/83/49/489878349.db2.gz SZESHUVZRWKJGT-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420003523 489878354 /nfs/dbraw/zinc/87/83/54/489878354.db2.gz SZESHUVZRWKJGT-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000420015867 489881169 /nfs/dbraw/zinc/88/11/69/489881169.db2.gz MKHQKZQZULDAHI-INIZCTEOSA-N 2 2 357.458 0.989 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420012 489882459 /nfs/dbraw/zinc/88/24/59/489882459.db2.gz ILQLPKDNXZBLAU-KRWDZBQOSA-N 3 2 369.554 0.813 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCO1 ZINC000433420012 489882463 /nfs/dbraw/zinc/88/24/63/489882463.db2.gz ILQLPKDNXZBLAU-KRWDZBQOSA-N 3 2 369.554 0.813 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000420027689 489884973 /nfs/dbraw/zinc/88/49/73/489884973.db2.gz DGFIXWUWQKYBDL-KSSFIOAISA-N 2 2 374.485 0.754 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCO1 ZINC000433456884 489885735 /nfs/dbraw/zinc/88/57/35/489885735.db2.gz NYFHTGYIXUNVOW-OAHLLOKOSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCO1 ZINC000433456884 489885738 /nfs/dbraw/zinc/88/57/38/489885738.db2.gz NYFHTGYIXUNVOW-OAHLLOKOSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420032179 489887515 /nfs/dbraw/zinc/88/75/15/489887515.db2.gz GDIVNZZZMAMDQV-KBAYOESNSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420032179 489887516 /nfs/dbraw/zinc/88/75/16/489887516.db2.gz GDIVNZZZMAMDQV-KBAYOESNSA-N 2 2 358.486 0.963 20 0 FCADLP [NH3+]CC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000571093076 491285506 /nfs/dbraw/zinc/28/55/06/491285506.db2.gz BWRLCYFQBWNEBW-UHFFFAOYSA-N 3 2 352.504 0.178 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000433557844 489892402 /nfs/dbraw/zinc/89/24/02/489892402.db2.gz KEVAUHISWAHGMF-IYBDPMFKSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000433557844 489892406 /nfs/dbraw/zinc/89/24/06/489892406.db2.gz KEVAUHISWAHGMF-IYBDPMFKSA-N 2 2 354.495 0.650 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000460992585 489892440 /nfs/dbraw/zinc/89/24/40/489892440.db2.gz KDIKGMKVJPRRKY-GOSISDBHSA-N 2 2 368.522 0.404 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119281 489896478 /nfs/dbraw/zinc/89/64/78/489896478.db2.gz VVUVPWMXCGPWAN-DLBZAZTESA-N 2 2 368.522 0.579 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000461119281 489896481 /nfs/dbraw/zinc/89/64/81/489896481.db2.gz VVUVPWMXCGPWAN-DLBZAZTESA-N 2 2 368.522 0.579 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCS1(=O)=O ZINC000571102080 491285880 /nfs/dbraw/zinc/28/58/80/491285880.db2.gz FMWMKDFNUYQZIK-MRXNPFEDSA-N 2 2 366.487 0.287 20 0 FCADLP CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000433987268 489908960 /nfs/dbraw/zinc/90/89/60/489908960.db2.gz CUDUZPBDCXFXON-DLBZAZTESA-N 2 2 356.511 0.705 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420104723 489914060 /nfs/dbraw/zinc/91/40/60/489914060.db2.gz RJZVBVITCPMNIO-CMODXEBXSA-N 2 2 370.497 0.958 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000420113505 489917525 /nfs/dbraw/zinc/91/75/25/489917525.db2.gz DZTSLEVAZWBZAD-UHFFFAOYSA-N 2 2 374.485 0.727 20 0 FCADLP CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000564071927 491286986 /nfs/dbraw/zinc/28/69/86/491286986.db2.gz IGIIIGOOYVRTMH-KRWDZBQOSA-N 2 2 366.506 0.348 20 0 FCADLP CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000564071927 491286988 /nfs/dbraw/zinc/28/69/88/491286988.db2.gz IGIIIGOOYVRTMH-KRWDZBQOSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000434285514 489920126 /nfs/dbraw/zinc/92/01/26/489920126.db2.gz CHPOHDASAOKKDW-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000420128900 489922812 /nfs/dbraw/zinc/92/28/12/489922812.db2.gz QFEIRTFZLSENJJ-DLBZAZTESA-N 2 2 374.485 0.466 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434349330 489923366 /nfs/dbraw/zinc/92/33/66/489923366.db2.gz HIAUGPDJHLCWKV-SJORKVTESA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434349330 489923368 /nfs/dbraw/zinc/92/33/68/489923368.db2.gz HIAUGPDJHLCWKV-SJORKVTESA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434349324 489924018 /nfs/dbraw/zinc/92/40/18/489924018.db2.gz HIAUGPDJHLCWKV-IAGOWNOFSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434349324 489924023 /nfs/dbraw/zinc/92/40/23/489924023.db2.gz HIAUGPDJHLCWKV-IAGOWNOFSA-N 2 2 354.495 0.338 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000420131800 489924047 /nfs/dbraw/zinc/92/40/47/489924047.db2.gz XNFFQKARXVOBPK-HUUCEWRRSA-N 2 2 362.478 0.143 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000420131800 489924048 /nfs/dbraw/zinc/92/40/48/489924048.db2.gz XNFFQKARXVOBPK-HUUCEWRRSA-N 2 2 362.478 0.143 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420133808 489924638 /nfs/dbraw/zinc/92/46/38/489924638.db2.gz CZEMZKVLPWZEGH-UHFFFAOYSA-N 2 2 374.460 0.896 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420133808 489924643 /nfs/dbraw/zinc/92/46/43/489924643.db2.gz CZEMZKVLPWZEGH-UHFFFAOYSA-N 2 2 374.460 0.896 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420136054 489926047 /nfs/dbraw/zinc/92/60/47/489926047.db2.gz FJFXSFMTBXHTMB-WMZOPIPTSA-N 2 2 358.486 0.753 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420142588 489928749 /nfs/dbraw/zinc/92/87/49/489928749.db2.gz USUFBIPOEVIDLU-CQSZACIVSA-N 2 2 362.499 0.989 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000420145601 489930542 /nfs/dbraw/zinc/93/05/42/489930542.db2.gz PJALHYYUVNGTKW-AEFFLSMTSA-N 2 2 358.486 0.753 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420155284 489934419 /nfs/dbraw/zinc/93/44/19/489934419.db2.gz UHVDNDCTSIDOCN-KGLIPLIRSA-N 2 2 368.428 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420155284 489934420 /nfs/dbraw/zinc/93/44/20/489934420.db2.gz UHVDNDCTSIDOCN-KGLIPLIRSA-N 2 2 368.428 0.818 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420160005 489936745 /nfs/dbraw/zinc/93/67/45/489936745.db2.gz ASVZSZYKGMUKON-UHFFFAOYSA-N 2 2 372.391 0.570 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420160005 489936747 /nfs/dbraw/zinc/93/67/47/489936747.db2.gz ASVZSZYKGMUKON-UHFFFAOYSA-N 2 2 372.391 0.570 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420163218 489937068 /nfs/dbraw/zinc/93/70/68/489937068.db2.gz FBAKQMZUNXIWBE-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420163218 489937070 /nfs/dbraw/zinc/93/70/70/489937070.db2.gz FBAKQMZUNXIWBE-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420176624 489941904 /nfs/dbraw/zinc/94/19/04/489941904.db2.gz QLDCAFPVGBWLBP-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000420176624 489941907 /nfs/dbraw/zinc/94/19/07/489941907.db2.gz QLDCAFPVGBWLBP-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420176625 489941975 /nfs/dbraw/zinc/94/19/75/489941975.db2.gz QLDCAFPVGBWLBP-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000420176625 489941978 /nfs/dbraw/zinc/94/19/78/489941978.db2.gz QLDCAFPVGBWLBP-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420190737 489946457 /nfs/dbraw/zinc/94/64/57/489946457.db2.gz PKUZCZQLQNLQMU-HUUCEWRRSA-N 2 2 363.462 0.451 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000571170125 491290286 /nfs/dbraw/zinc/29/02/86/491290286.db2.gz QOCZPKOLCVPXCE-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000571170125 491290289 /nfs/dbraw/zinc/29/02/89/491290289.db2.gz QOCZPKOLCVPXCE-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000462015187 489950446 /nfs/dbraw/zinc/95/04/46/489950446.db2.gz PIXJBRULGDIZEJ-AWEZNQCLSA-N 2 2 374.493 0.924 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000462015187 489950449 /nfs/dbraw/zinc/95/04/49/489950449.db2.gz PIXJBRULGDIZEJ-AWEZNQCLSA-N 2 2 374.493 0.924 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000571179791 491290565 /nfs/dbraw/zinc/29/05/65/491290565.db2.gz BFHSBQOAUVJZML-CABCVRRESA-N 2 2 350.467 0.854 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420217320 489955396 /nfs/dbraw/zinc/95/53/96/489955396.db2.gz XNAMFIDLZBSFAT-NJAFHUGGSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420217320 489955400 /nfs/dbraw/zinc/95/54/00/489955400.db2.gz XNAMFIDLZBSFAT-NJAFHUGGSA-N 2 2 358.486 0.963 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000420297058 489960484 /nfs/dbraw/zinc/96/04/84/489960484.db2.gz FFGGNKDHPNRLDW-BZSNNMDCSA-N 2 2 363.527 0.957 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000420297058 489960486 /nfs/dbraw/zinc/96/04/86/489960486.db2.gz FFGGNKDHPNRLDW-BZSNNMDCSA-N 2 2 363.527 0.957 20 0 FCADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000420310272 489961290 /nfs/dbraw/zinc/96/12/90/489961290.db2.gz FSFSWRWFEUHHND-SFHVURJKSA-N 3 2 360.502 0.978 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000420305595 489961975 /nfs/dbraw/zinc/96/19/75/489961975.db2.gz ZAQXJNQHLSIKED-MRXNPFEDSA-N 2 2 359.474 0.904 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000420305595 489961979 /nfs/dbraw/zinc/96/19/79/489961979.db2.gz ZAQXJNQHLSIKED-MRXNPFEDSA-N 2 2 359.474 0.904 20 0 FCADLP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420316890 489962797 /nfs/dbraw/zinc/96/27/97/489962797.db2.gz YSWGUSSXEQCKFV-INIZCTEOSA-N 2 2 361.442 0.748 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329213 489963662 /nfs/dbraw/zinc/96/36/62/489963662.db2.gz OBQDAUUOGUUMNP-DZKIICNBSA-N 2 2 355.479 0.378 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329213 489963664 /nfs/dbraw/zinc/96/36/64/489963664.db2.gz OBQDAUUOGUUMNP-DZKIICNBSA-N 2 2 355.479 0.378 20 0 FCADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000420351982 489966415 /nfs/dbraw/zinc/96/64/15/489966415.db2.gz LLBFLBCREPRVJB-CJNGLKHVSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000420351982 489966419 /nfs/dbraw/zinc/96/64/19/489966419.db2.gz LLBFLBCREPRVJB-CJNGLKHVSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420352359 489966789 /nfs/dbraw/zinc/96/67/89/489966789.db2.gz MLEVFDIUQIKBCR-CJNGLKHVSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420352359 489966791 /nfs/dbraw/zinc/96/67/91/489966791.db2.gz MLEVFDIUQIKBCR-CJNGLKHVSA-N 2 2 351.447 0.619 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350281 489966892 /nfs/dbraw/zinc/96/68/92/489966892.db2.gz GIAKRJNBAAOHOM-HNAYVOBHSA-N 2 2 365.474 0.913 20 0 FCADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000420350281 489966895 /nfs/dbraw/zinc/96/68/95/489966895.db2.gz GIAKRJNBAAOHOM-HNAYVOBHSA-N 2 2 365.474 0.913 20 0 FCADLP C[N@@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@H](O)C[NH3+] ZINC000420355030 489967805 /nfs/dbraw/zinc/96/78/05/489967805.db2.gz PINAGORVKMNFKI-OAHLLOKOSA-N 2 2 363.458 0.595 20 0 FCADLP C[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@H](O)C[NH3+] ZINC000420355030 489967807 /nfs/dbraw/zinc/96/78/07/489967807.db2.gz PINAGORVKMNFKI-OAHLLOKOSA-N 2 2 363.458 0.595 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000420376649 489969812 /nfs/dbraw/zinc/96/98/12/489969812.db2.gz VIXKKXIIEBSKGH-PNBKFKSVSA-N 2 2 362.474 0.929 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420378567 489970058 /nfs/dbraw/zinc/97/00/58/489970058.db2.gz MEEMPASEAJESMU-KGLIPLIRSA-N 2 2 368.503 0.792 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420378567 489970062 /nfs/dbraw/zinc/97/00/62/489970062.db2.gz MEEMPASEAJESMU-KGLIPLIRSA-N 2 2 368.503 0.792 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCNC(=O)c3cnccn3)c2cc1C ZINC000571197853 491291966 /nfs/dbraw/zinc/29/19/66/491291966.db2.gz AAZZRSQVPRMDDL-HNNXBMFYSA-N 2 2 368.441 0.824 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391545 489970653 /nfs/dbraw/zinc/97/06/53/489970653.db2.gz OMFSUQAFHIYGJO-DLBZAZTESA-N 2 2 351.422 0.775 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CCCO1 ZINC000420391545 489970655 /nfs/dbraw/zinc/97/06/55/489970655.db2.gz OMFSUQAFHIYGJO-DLBZAZTESA-N 2 2 351.422 0.775 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CCCO1 ZINC000420389156 489970811 /nfs/dbraw/zinc/97/08/11/489970811.db2.gz LYYXMPVSZMJTJX-OAHLLOKOSA-N 2 2 350.438 0.524 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CCCO1 ZINC000420389156 489970814 /nfs/dbraw/zinc/97/08/14/489970814.db2.gz LYYXMPVSZMJTJX-OAHLLOKOSA-N 2 2 350.438 0.524 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406062 489972309 /nfs/dbraw/zinc/97/23/09/489972309.db2.gz QKGKCEQGQPEUSN-HRCADAONSA-N 2 2 352.479 0.938 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406062 489972313 /nfs/dbraw/zinc/97/23/13/489972313.db2.gz QKGKCEQGQPEUSN-HRCADAONSA-N 2 2 352.479 0.938 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC=CCC1 ZINC000477571459 489973671 /nfs/dbraw/zinc/97/36/71/489973671.db2.gz UFNDUQAEJYLOSS-INIZCTEOSA-N 2 2 350.507 0.943 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC=CCC1 ZINC000477571459 489973675 /nfs/dbraw/zinc/97/36/75/489973675.db2.gz UFNDUQAEJYLOSS-INIZCTEOSA-N 2 2 350.507 0.943 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC=CCC1 ZINC000477571460 489973696 /nfs/dbraw/zinc/97/36/96/489973696.db2.gz UFNDUQAEJYLOSS-MRXNPFEDSA-N 2 2 350.507 0.943 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC=CCC1 ZINC000477571460 489973698 /nfs/dbraw/zinc/97/36/98/489973698.db2.gz UFNDUQAEJYLOSS-MRXNPFEDSA-N 2 2 350.507 0.943 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000556071761 491292185 /nfs/dbraw/zinc/29/21/85/491292185.db2.gz VRBLIYGYTUJBHC-OAHLLOKOSA-N 2 2 373.461 0.326 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000556081132 491292620 /nfs/dbraw/zinc/29/26/20/491292620.db2.gz OOISYFDURWWTNI-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CSC1(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000462511449 489979192 /nfs/dbraw/zinc/97/91/92/489979192.db2.gz GHPXGCXRUAOZAD-HNNXBMFYSA-N 2 2 374.551 0.148 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@@H+]1C ZINC000435286390 489994999 /nfs/dbraw/zinc/99/49/99/489994999.db2.gz WNOINKGJBKZLDO-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@H+]1C ZINC000435286390 489995003 /nfs/dbraw/zinc/99/50/03/489995003.db2.gz WNOINKGJBKZLDO-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286390 489995006 /nfs/dbraw/zinc/99/50/06/489995006.db2.gz WNOINKGJBKZLDO-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286390 489995009 /nfs/dbraw/zinc/99/50/09/489995009.db2.gz WNOINKGJBKZLDO-RBSFLKMASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@@H+]1C ZINC000435286387 489995066 /nfs/dbraw/zinc/99/50/66/489995066.db2.gz WNOINKGJBKZLDO-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CCC[N@H+]1C ZINC000435286387 489995069 /nfs/dbraw/zinc/99/50/69/489995069.db2.gz WNOINKGJBKZLDO-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286387 489995071 /nfs/dbraw/zinc/99/50/71/489995071.db2.gz WNOINKGJBKZLDO-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)CCC[NH+]1C ZINC000435286387 489995074 /nfs/dbraw/zinc/99/50/74/489995074.db2.gz WNOINKGJBKZLDO-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000435423145 490001468 /nfs/dbraw/zinc/00/14/68/490001468.db2.gz RZGZWJJBMZFKTQ-JKSUJKDBSA-N 2 2 369.510 0.078 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000435423145 490001470 /nfs/dbraw/zinc/00/14/70/490001470.db2.gz RZGZWJJBMZFKTQ-JKSUJKDBSA-N 2 2 369.510 0.078 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC000437424300 490023012 /nfs/dbraw/zinc/02/30/12/490023012.db2.gz IUORHCOWDFJWHM-UHFFFAOYSA-N 2 2 372.420 0.701 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(C(F)F)c1 ZINC000437424300 490023015 /nfs/dbraw/zinc/02/30/15/490023015.db2.gz IUORHCOWDFJWHM-UHFFFAOYSA-N 2 2 372.420 0.701 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420819961 490023728 /nfs/dbraw/zinc/02/37/28/490023728.db2.gz MGEUIBHVIYPBSJ-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420819961 490023731 /nfs/dbraw/zinc/02/37/31/490023731.db2.gz MGEUIBHVIYPBSJ-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CS(=O)(=O)N1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420899112 490029157 /nfs/dbraw/zinc/02/91/57/490029157.db2.gz GISBPESHWAEEMH-UHFFFAOYSA-N 2 2 367.515 0.986 20 0 FCADLP CS(=O)(=O)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420899112 490029162 /nfs/dbraw/zinc/02/91/62/490029162.db2.gz GISBPESHWAEEMH-UHFFFAOYSA-N 2 2 367.515 0.986 20 0 FCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000564218352 491295058 /nfs/dbraw/zinc/29/50/58/491295058.db2.gz VCPRTPMELGZKBM-KRWDZBQOSA-N 2 2 354.882 0.867 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438329752 490033847 /nfs/dbraw/zinc/03/38/47/490033847.db2.gz HNXBCXXOZKVCMJ-UHFFFAOYSA-N 2 2 373.461 1.234 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946752 490034279 /nfs/dbraw/zinc/03/42/79/490034279.db2.gz OARCCIABPUISKM-QGZVFWFLSA-N 2 2 353.488 0.772 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946752 490034282 /nfs/dbraw/zinc/03/42/82/490034282.db2.gz OARCCIABPUISKM-QGZVFWFLSA-N 2 2 353.488 0.772 20 0 FCADLP COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283888 490039858 /nfs/dbraw/zinc/03/98/58/490039858.db2.gz PMGYKPAJCULSLJ-GXTWGEPZSA-N 2 2 355.398 0.945 20 0 FCADLP COc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283888 490039862 /nfs/dbraw/zinc/03/98/62/490039862.db2.gz PMGYKPAJCULSLJ-GXTWGEPZSA-N 2 2 355.398 0.945 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000420986115 490039932 /nfs/dbraw/zinc/03/99/32/490039932.db2.gz XVMSFXGPUVPDNT-UHFFFAOYSA-N 3 2 351.539 0.252 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000420986115 490039936 /nfs/dbraw/zinc/03/99/36/490039936.db2.gz XVMSFXGPUVPDNT-UHFFFAOYSA-N 3 2 351.539 0.252 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000421206052 490055639 /nfs/dbraw/zinc/05/56/39/490055639.db2.gz HXYJLRNRSZBPFC-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000421206052 490055644 /nfs/dbraw/zinc/05/56/44/490055644.db2.gz HXYJLRNRSZBPFC-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[C@H]1CCSC1 ZINC000478960431 490056956 /nfs/dbraw/zinc/05/69/56/490056956.db2.gz STQQSXHOKLYKRN-HOTGVXAUSA-N 2 2 357.520 0.373 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[C@H]1CCSC1 ZINC000478960431 490056959 /nfs/dbraw/zinc/05/69/59/490056959.db2.gz STQQSXHOKLYKRN-HOTGVXAUSA-N 2 2 357.520 0.373 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421208366 490057056 /nfs/dbraw/zinc/05/70/56/490057056.db2.gz XRFZEISWUPGHII-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421208366 490057063 /nfs/dbraw/zinc/05/70/63/490057063.db2.gz XRFZEISWUPGHII-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)CC2)c1 ZINC000564252603 491296385 /nfs/dbraw/zinc/29/63/85/491296385.db2.gz VSHZPMZXSUBHKL-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)CC2)c1 ZINC000564252603 491296387 /nfs/dbraw/zinc/29/63/87/491296387.db2.gz VSHZPMZXSUBHKL-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCc2ccccc2C1 ZINC000378424809 490062580 /nfs/dbraw/zinc/06/25/80/490062580.db2.gz FCJGZMYKANQZFS-UHFFFAOYSA-N 2 2 373.497 0.730 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1cccc(Cl)c1 ZINC000495462065 490078425 /nfs/dbraw/zinc/07/84/25/490078425.db2.gz GFCRXXVHLZLZKW-MRXNPFEDSA-N 2 2 352.866 0.881 20 0 FCADLP C[NH+](C)[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)c1cccc(Cl)c1 ZINC000495462065 490078431 /nfs/dbraw/zinc/07/84/31/490078431.db2.gz GFCRXXVHLZLZKW-MRXNPFEDSA-N 2 2 352.866 0.881 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000421409374 490081027 /nfs/dbraw/zinc/08/10/27/490081027.db2.gz QOZDNSWKBGXKBY-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000421409374 490081033 /nfs/dbraw/zinc/08/10/33/490081033.db2.gz QOZDNSWKBGXKBY-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000495549068 490082877 /nfs/dbraw/zinc/08/28/77/490082877.db2.gz UGBIURKYJSUWOM-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000495549068 490082882 /nfs/dbraw/zinc/08/28/82/490082882.db2.gz UGBIURKYJSUWOM-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000532654841 490091088 /nfs/dbraw/zinc/09/10/88/490091088.db2.gz SLPLYIGVKKQWOK-KBAYOESNSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000532654841 490091092 /nfs/dbraw/zinc/09/10/92/490091092.db2.gz SLPLYIGVKKQWOK-KBAYOESNSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C[NH+]1CCCC1 ZINC000465255137 490097414 /nfs/dbraw/zinc/09/74/14/490097414.db2.gz PPCQHIZRXKENFB-MRXNPFEDSA-N 2 2 364.494 1.069 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000421774681 490106077 /nfs/dbraw/zinc/10/60/77/490106077.db2.gz NFSLFUWNFUNWNU-KRWDZBQOSA-N 2 2 355.442 0.758 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000421774681 490106081 /nfs/dbraw/zinc/10/60/81/490106081.db2.gz NFSLFUWNFUNWNU-KRWDZBQOSA-N 2 2 355.442 0.758 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000556168718 491299433 /nfs/dbraw/zinc/29/94/33/491299433.db2.gz XNWISTAZVZSXDR-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000556168718 491299434 /nfs/dbraw/zinc/29/94/34/491299434.db2.gz XNWISTAZVZSXDR-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000556169751 491299919 /nfs/dbraw/zinc/29/99/19/491299919.db2.gz BURVAQKGXGUQLS-SJORKVTESA-N 2 2 367.538 0.071 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000556169751 491299920 /nfs/dbraw/zinc/29/99/20/491299920.db2.gz BURVAQKGXGUQLS-SJORKVTESA-N 2 2 367.538 0.071 20 0 FCADLP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000479778917 490124781 /nfs/dbraw/zinc/12/47/81/490124781.db2.gz XZRGRTZKPBGYQS-KDURUIRLSA-N 2 2 358.486 0.286 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000479778917 490124785 /nfs/dbraw/zinc/12/47/85/490124785.db2.gz XZRGRTZKPBGYQS-KDURUIRLSA-N 3 2 358.486 0.286 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000479778917 490124789 /nfs/dbraw/zinc/12/47/89/490124789.db2.gz XZRGRTZKPBGYQS-KDURUIRLSA-N 3 2 358.486 0.286 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000496630786 490126442 /nfs/dbraw/zinc/12/64/42/490126442.db2.gz KXNHCOJBQQNQLZ-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000496630786 490126445 /nfs/dbraw/zinc/12/64/45/490126445.db2.gz KXNHCOJBQQNQLZ-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP O=C(NCC[NH+]1CCC1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000506720671 490132771 /nfs/dbraw/zinc/13/27/71/490132771.db2.gz ZBOSDIQSLBYNES-UHFFFAOYSA-N 2 2 365.522 0.716 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000465656435 490136311 /nfs/dbraw/zinc/13/63/11/490136311.db2.gz DZNPJASZDVFJDF-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000465656435 490136314 /nfs/dbraw/zinc/13/63/14/490136314.db2.gz DZNPJASZDVFJDF-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP C[C@@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000497510783 490170614 /nfs/dbraw/zinc/17/06/14/490170614.db2.gz OALGLRNSGWCHAK-SFHVURJKSA-N 2 2 368.570 0.149 20 0 FCADLP C[C@@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000497510783 490170617 /nfs/dbraw/zinc/17/06/17/490170617.db2.gz OALGLRNSGWCHAK-SFHVURJKSA-N 2 2 368.570 0.149 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000520614075 490171594 /nfs/dbraw/zinc/17/15/94/490171594.db2.gz QYPLFWJWIUBMBJ-BZUAXINKSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000520614075 490171602 /nfs/dbraw/zinc/17/16/02/490171602.db2.gz QYPLFWJWIUBMBJ-BZUAXINKSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000520614076 490172368 /nfs/dbraw/zinc/17/23/68/490172368.db2.gz QYPLFWJWIUBMBJ-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000520614076 490172372 /nfs/dbraw/zinc/17/23/72/490172372.db2.gz QYPLFWJWIUBMBJ-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000520614076 490172378 /nfs/dbraw/zinc/17/23/78/490172378.db2.gz QYPLFWJWIUBMBJ-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000520614076 490172381 /nfs/dbraw/zinc/17/23/81/490172381.db2.gz QYPLFWJWIUBMBJ-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556242599 491305126 /nfs/dbraw/zinc/30/51/26/491305126.db2.gz RBBBETIFSUEGPZ-OAHLLOKOSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556242599 491305128 /nfs/dbraw/zinc/30/51/28/491305128.db2.gz RBBBETIFSUEGPZ-OAHLLOKOSA-N 2 2 359.474 0.719 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000571405051 491305398 /nfs/dbraw/zinc/30/53/98/491305398.db2.gz KEROLTWQQNYPCK-HOCLYGCPSA-N 2 2 365.499 0.846 20 0 FCADLP CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000520762832 490185161 /nfs/dbraw/zinc/18/51/61/490185161.db2.gz SCIKFCJQRIRFGJ-HNNXBMFYSA-N 2 2 369.491 0.945 20 0 FCADLP CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000520762832 490185167 /nfs/dbraw/zinc/18/51/67/490185167.db2.gz SCIKFCJQRIRFGJ-HNNXBMFYSA-N 2 2 369.491 0.945 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000571419207 491306495 /nfs/dbraw/zinc/30/64/95/491306495.db2.gz SSBPQTFQUQBIQB-SJLPKXTDSA-N 2 2 374.485 0.726 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000571419207 491306496 /nfs/dbraw/zinc/30/64/96/491306496.db2.gz SSBPQTFQUQBIQB-SJLPKXTDSA-N 2 2 374.485 0.726 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000556274617 491307719 /nfs/dbraw/zinc/30/77/19/491307719.db2.gz YXKRMKORMLHIOT-UHFFFAOYSA-N 2 2 366.425 0.842 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000556352864 491311035 /nfs/dbraw/zinc/31/10/35/491311035.db2.gz FAEUUGOECKJULC-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000422285891 490229316 /nfs/dbraw/zinc/22/93/16/490229316.db2.gz USBWOKNQEAWPTG-MRXNPFEDSA-N 2 2 359.474 0.685 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000422285891 490229325 /nfs/dbraw/zinc/22/93/25/490229325.db2.gz USBWOKNQEAWPTG-MRXNPFEDSA-N 2 2 359.474 0.685 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000422290956 490233672 /nfs/dbraw/zinc/23/36/72/490233672.db2.gz CIQIZLAAOCKIMO-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000422290956 490233676 /nfs/dbraw/zinc/23/36/76/490233676.db2.gz CIQIZLAAOCKIMO-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000497936558 490233978 /nfs/dbraw/zinc/23/39/78/490233978.db2.gz GLWSABXCWPSOKD-GFCCVEGCSA-N 2 2 355.402 0.464 20 0 FCADLP C[C@]1(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CCC[NH2+]C1 ZINC000497957363 490239258 /nfs/dbraw/zinc/23/92/58/490239258.db2.gz XMUYHVZKAGDRBQ-IBGZPJMESA-N 2 2 359.474 0.789 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000498016835 490245677 /nfs/dbraw/zinc/24/56/77/490245677.db2.gz FFFCGBSMXOXCBW-UHFFFAOYSA-N 2 2 361.490 0.619 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000498016835 490245682 /nfs/dbraw/zinc/24/56/82/490245682.db2.gz FFFCGBSMXOXCBW-UHFFFAOYSA-N 2 2 361.490 0.619 20 0 FCADLP CSCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000498035063 490248164 /nfs/dbraw/zinc/24/81/64/490248164.db2.gz BVRPISDOTGSCOO-INIZCTEOSA-N 2 2 370.563 0.908 20 0 FCADLP CSCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000498035064 490248219 /nfs/dbraw/zinc/24/82/19/490248219.db2.gz BVRPISDOTGSCOO-MRXNPFEDSA-N 2 2 370.563 0.908 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000556359772 491311621 /nfs/dbraw/zinc/31/16/21/491311621.db2.gz HFBPHGLRWSWFDT-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000556359772 491311622 /nfs/dbraw/zinc/31/16/22/491311622.db2.gz HFBPHGLRWSWFDT-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@](C)(O)C1 ZINC000483048729 490275990 /nfs/dbraw/zinc/27/59/90/490275990.db2.gz NHKBJUKPIQONMZ-UZLBHIALSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@](C)(O)C1 ZINC000483048729 490275994 /nfs/dbraw/zinc/27/59/94/490275994.db2.gz NHKBJUKPIQONMZ-UZLBHIALSA-N 2 2 361.486 0.980 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000447901553 490285283 /nfs/dbraw/zinc/28/52/83/490285283.db2.gz CHIOXGLCRBRAOZ-HOTGVXAUSA-N 2 2 353.488 0.522 20 0 FCADLP C[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)n1cc[nH+]c1 ZINC000521891104 490308234 /nfs/dbraw/zinc/30/82/34/490308234.db2.gz WGFDFULECHHIDW-GFCCVEGCSA-N 2 2 351.432 0.710 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483396925 490313046 /nfs/dbraw/zinc/31/30/46/490313046.db2.gz FIIRLYWVCLXMSG-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000483396925 490313058 /nfs/dbraw/zinc/31/30/58/490313058.db2.gz FIIRLYWVCLXMSG-CVEARBPZSA-N 2 2 368.522 0.545 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000564609762 491316725 /nfs/dbraw/zinc/31/67/25/491316725.db2.gz GPGXLLZDQKMICD-CVEARBPZSA-N 2 2 373.432 0.872 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000522019192 490328796 /nfs/dbraw/zinc/32/87/96/490328796.db2.gz XGWXUHFMBPRAGY-KRWDZBQOSA-N 2 2 373.501 0.965 20 0 FCADLP CS[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000534216218 490332110 /nfs/dbraw/zinc/33/21/10/490332110.db2.gz IJNVRSRFBGWAGL-LSDHHAIUSA-N 2 2 358.552 0.191 20 0 FCADLP CC(C)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508527716 490335972 /nfs/dbraw/zinc/33/59/72/490335972.db2.gz ILWTXSRSGQVJJG-KZNAEPCWSA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508527716 490335976 /nfs/dbraw/zinc/33/59/76/490335976.db2.gz ILWTXSRSGQVJJG-KZNAEPCWSA-N 2 2 354.539 0.874 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408435780 490336500 /nfs/dbraw/zinc/33/65/00/490336500.db2.gz PNEYMONJPQOCOV-HUUCEWRRSA-N 2 2 367.519 0.547 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000408435780 490336504 /nfs/dbraw/zinc/33/65/04/490336504.db2.gz PNEYMONJPQOCOV-HUUCEWRRSA-N 2 2 367.519 0.547 20 0 FCADLP C[C@@H](O)C[C@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468090418 490365303 /nfs/dbraw/zinc/36/53/03/490365303.db2.gz UTLIYHQVYRDVRJ-QAPCUYQASA-N 2 2 368.522 0.726 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000498955794 490371681 /nfs/dbraw/zinc/37/16/81/490371681.db2.gz IKTFBVDVXKVODE-UHFFFAOYSA-N 2 2 359.474 0.946 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000498955794 490371685 /nfs/dbraw/zinc/37/16/85/490371685.db2.gz IKTFBVDVXKVODE-UHFFFAOYSA-N 2 2 359.474 0.946 20 0 FCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn[nH]c1 ZINC000564706487 491321496 /nfs/dbraw/zinc/32/14/96/491321496.db2.gz NPPVJVUDOGKRRI-AWEZNQCLSA-N 2 2 364.475 0.607 20 0 FCADLP O=C(NCCNc1cc[nH+]cc1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000534524626 490375846 /nfs/dbraw/zinc/37/58/46/490375846.db2.gz KHVQWAWIDDTBLR-UHFFFAOYSA-N 2 2 356.430 0.646 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000468280899 490379307 /nfs/dbraw/zinc/37/93/07/490379307.db2.gz LGGYFVWLLUCIFY-QGZVFWFLSA-N 2 2 369.506 0.483 20 0 FCADLP CCC[C@@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000448924635 490389007 /nfs/dbraw/zinc/38/90/07/490389007.db2.gz YZMQMHJGKIKGNW-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000484232105 490400968 /nfs/dbraw/zinc/40/09/68/490400968.db2.gz JRZKKIYHUZYZIU-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP NS(=O)(=O)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411259876 490417828 /nfs/dbraw/zinc/41/78/28/490417828.db2.gz XAPOMNYSKHWPMB-UHFFFAOYSA-N 2 2 352.504 0.994 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)C[C@@H]2C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000548162146 490431613 /nfs/dbraw/zinc/43/16/13/490431613.db2.gz KJELOJSCDQRRFU-NNZMDNLPSA-N 2 2 364.534 0.977 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]34CCC(=O)N3CCS4)CC2)CC1 ZINC000523305442 490455378 /nfs/dbraw/zinc/45/53/78/490455378.db2.gz OGMZNQZGZCLMJX-GOSISDBHSA-N 2 2 366.531 0.727 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCc2cc(F)cc3c2OCOC3)[C@H](C[NH3+])C1 ZINC000571773387 491328373 /nfs/dbraw/zinc/32/83/73/491328373.db2.gz UOMJAFOVMFNPTP-OAHLLOKOSA-N 2 2 352.410 0.519 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCc2cc(F)cc3c2OCOC3)[C@H](C[NH3+])C1 ZINC000571773387 491328375 /nfs/dbraw/zinc/32/83/75/491328375.db2.gz UOMJAFOVMFNPTP-OAHLLOKOSA-N 2 2 352.410 0.519 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000422741103 490469506 /nfs/dbraw/zinc/46/95/06/490469506.db2.gz NXYWNGWJDGDWAD-UHFFFAOYSA-N 2 2 362.474 0.083 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000422741103 490469510 /nfs/dbraw/zinc/46/95/10/490469510.db2.gz NXYWNGWJDGDWAD-UHFFFAOYSA-N 2 2 362.474 0.083 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000450588476 490474160 /nfs/dbraw/zinc/47/41/60/490474160.db2.gz JZBMQRBVANGFIF-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000450588476 490474170 /nfs/dbraw/zinc/47/41/70/490474170.db2.gz JZBMQRBVANGFIF-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)[NH2+]1 ZINC000422826342 490481585 /nfs/dbraw/zinc/48/15/85/490481585.db2.gz QTVGVSAUQWWHIH-HOTGVXAUSA-N 2 2 359.474 0.719 20 0 FCADLP [NH3+]CC1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000422821884 490481922 /nfs/dbraw/zinc/48/19/22/490481922.db2.gz ZBNZLXJCZZCZHH-UHFFFAOYSA-N 2 2 359.474 0.898 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422832405 490483686 /nfs/dbraw/zinc/48/36/86/490483686.db2.gz UXTURNPCFZDMOX-CABCVRRESA-N 2 2 352.479 0.988 20 0 FCADLP COCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000535382521 490486608 /nfs/dbraw/zinc/48/66/08/490486608.db2.gz ILSRQSFPVSRMOK-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422915082 490496881 /nfs/dbraw/zinc/49/68/81/490496881.db2.gz XAGUEVWWJSPVJC-YTQUADARSA-N 2 2 360.502 0.468 20 0 FCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422915082 490496892 /nfs/dbraw/zinc/49/68/92/490496892.db2.gz XAGUEVWWJSPVJC-YTQUADARSA-N 3 2 360.502 0.468 20 0 FCADLP C[C@@H](O)CNc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc[nH+]1 ZINC000413072224 490497619 /nfs/dbraw/zinc/49/76/19/490497619.db2.gz MQIRDQLHRPULHX-CJNGLKHVSA-N 2 2 353.492 0.889 20 0 FCADLP Nc1nc(-n2cccn2)cc(NCC2([NH+]3CCOCC3)CCOCC2)[nH+]1 ZINC000413401177 490501073 /nfs/dbraw/zinc/50/10/73/490501073.db2.gz KZGJTQQEKSYSCM-UHFFFAOYSA-N 2 2 359.434 0.538 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000510332710 490508223 /nfs/dbraw/zinc/50/82/23/490508223.db2.gz KOESEXZLMMCBTR-WMLDXEAASA-N 2 2 351.451 0.254 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980864 490509780 /nfs/dbraw/zinc/50/97/80/490509780.db2.gz RJTSYJVQQSBJOC-ZSYWTGECSA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980864 490509784 /nfs/dbraw/zinc/50/97/84/490509784.db2.gz RJTSYJVQQSBJOC-ZSYWTGECSA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980864 490509789 /nfs/dbraw/zinc/50/97/89/490509789.db2.gz RJTSYJVQQSBJOC-ZSYWTGECSA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980864 490509791 /nfs/dbraw/zinc/50/97/91/490509791.db2.gz RJTSYJVQQSBJOC-ZSYWTGECSA-N 2 2 361.486 0.753 20 0 FCADLP CC(=O)NCC[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000500412194 490512212 /nfs/dbraw/zinc/51/22/12/490512212.db2.gz CAHYWCFZKSOSMH-KRWDZBQOSA-N 2 2 367.538 0.960 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423012268 490517069 /nfs/dbraw/zinc/51/70/69/490517069.db2.gz CRBQMVGOKNATCF-CABCVRRESA-N 2 2 362.499 0.460 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000423013214 490518700 /nfs/dbraw/zinc/51/87/00/490518700.db2.gz FKSHCDALRWGNDH-LSDHHAIUSA-N 2 2 364.515 0.836 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)c1 ZINC000423014901 490518772 /nfs/dbraw/zinc/51/87/72/490518772.db2.gz QCLRLVCSHJIQRX-GOSISDBHSA-N 2 2 374.485 0.215 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000423018573 490520537 /nfs/dbraw/zinc/52/05/37/490520537.db2.gz ZHEKSNKLFNIYQJ-GOSISDBHSA-N 2 2 358.486 0.707 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423018281 490521276 /nfs/dbraw/zinc/52/12/76/490521276.db2.gz QOSBEJIQAZVANU-UONOGXRCSA-N 2 2 350.488 0.588 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423020396 490521625 /nfs/dbraw/zinc/52/16/25/490521625.db2.gz BGRUUHQNINIWCI-INIZCTEOSA-N 2 2 360.458 0.017 20 0 FCADLP CC[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000451152560 490521743 /nfs/dbraw/zinc/52/17/43/490521743.db2.gz CIVCWZORTFTEBD-GOSISDBHSA-N 2 2 361.486 0.968 20 0 FCADLP CC[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000451152560 490521748 /nfs/dbraw/zinc/52/17/48/490521748.db2.gz CIVCWZORTFTEBD-GOSISDBHSA-N 2 2 361.486 0.968 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000423021983 490523237 /nfs/dbraw/zinc/52/32/37/490523237.db2.gz DHLPRUHKBAXBLT-GOSISDBHSA-N 2 2 358.486 0.960 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000423021983 490523246 /nfs/dbraw/zinc/52/32/46/490523246.db2.gz DHLPRUHKBAXBLT-GOSISDBHSA-N 2 2 358.486 0.960 20 0 FCADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000571866878 491333703 /nfs/dbraw/zinc/33/37/03/491333703.db2.gz RVENZHWAQJCLFO-GFCCVEGCSA-N 2 2 350.850 0.633 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000524590808 490546061 /nfs/dbraw/zinc/54/60/61/490546061.db2.gz PETKLPQPUQNYDI-HNNXBMFYSA-N 2 2 350.467 0.550 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000524590808 490546063 /nfs/dbraw/zinc/54/60/63/490546063.db2.gz PETKLPQPUQNYDI-HNNXBMFYSA-N 2 2 350.467 0.550 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536018587 490547720 /nfs/dbraw/zinc/54/77/20/490547720.db2.gz UUAYADMYTWKNLE-MRXNPFEDSA-N 2 2 351.520 0.821 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536018587 490547724 /nfs/dbraw/zinc/54/77/24/490547724.db2.gz UUAYADMYTWKNLE-MRXNPFEDSA-N 2 2 351.520 0.821 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000485600914 490547885 /nfs/dbraw/zinc/54/78/85/490547885.db2.gz NKZWJKAYYLSZIO-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000485600914 490547887 /nfs/dbraw/zinc/54/78/87/490547887.db2.gz NKZWJKAYYLSZIO-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000564909974 491335464 /nfs/dbraw/zinc/33/54/64/491335464.db2.gz RHKRJCASVXRKJY-MRXNPFEDSA-N 2 2 359.474 0.802 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[NH+](C2CCC2)CC1 ZINC000524712231 490552889 /nfs/dbraw/zinc/55/28/89/490552889.db2.gz YXEXZLAQLLRLGW-UHFFFAOYSA-N 2 2 362.478 0.917 20 0 FCADLP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000485782991 490557957 /nfs/dbraw/zinc/55/79/57/490557957.db2.gz KVIZQAKYYGLQIQ-MRXNPFEDSA-N 2 2 370.457 0.866 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485814261 490559882 /nfs/dbraw/zinc/55/98/82/490559882.db2.gz GOSAUAVLIAWQLU-GUYCJALGSA-N 2 2 365.503 0.424 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)[C@H]1CCNC1=O ZINC000536181474 490560086 /nfs/dbraw/zinc/56/00/86/490560086.db2.gz YOFNPBBJTRSMNZ-QAPCUYQASA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)[C@H]1CCNC1=O ZINC000536181474 490560091 /nfs/dbraw/zinc/56/00/91/490560091.db2.gz YOFNPBBJTRSMNZ-QAPCUYQASA-N 2 2 374.485 0.344 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000571902100 491336602 /nfs/dbraw/zinc/33/66/02/491336602.db2.gz IWUBMOOPVIQNLM-ULQDDVLXSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000571902100 491336603 /nfs/dbraw/zinc/33/66/03/491336603.db2.gz IWUBMOOPVIQNLM-ULQDDVLXSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCCN(CC[NH+]3CCO[C@H](C)C3)CC2)CCO1 ZINC000501129394 490582278 /nfs/dbraw/zinc/58/22/78/490582278.db2.gz ADBVOGNCCRKNRW-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCCN(CC[NH+]3CCO[C@H](C)C3)CC2)CCO1 ZINC000501129394 490582285 /nfs/dbraw/zinc/58/22/85/490582285.db2.gz ADBVOGNCCRKNRW-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCCN(CC[N@@H+]3CCO[C@H](C)C3)CC2)CCO1 ZINC000501129394 490582290 /nfs/dbraw/zinc/58/22/90/490582290.db2.gz ADBVOGNCCRKNRW-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCCN(CC[N@H+]3CCO[C@H](C)C3)CC2)CCO1 ZINC000501129394 490582297 /nfs/dbraw/zinc/58/22/97/490582297.db2.gz ADBVOGNCCRKNRW-RTBURBONSA-N 2 2 354.539 0.436 20 0 FCADLP Cc1cc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c(C)c[nH+]1 ZINC000536620238 490598397 /nfs/dbraw/zinc/59/83/97/490598397.db2.gz PNALWFAIUZNQEE-UHFFFAOYSA-N 2 2 355.446 0.854 20 0 FCADLP CC[C@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000511546554 490602842 /nfs/dbraw/zinc/60/28/42/490602842.db2.gz QDMGYRMLCBOPGD-QGZVFWFLSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000549770243 490603580 /nfs/dbraw/zinc/60/35/80/490603580.db2.gz SWZYOIAZARUXSB-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000549770243 490603584 /nfs/dbraw/zinc/60/35/84/490603584.db2.gz SWZYOIAZARUXSB-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282704 490605279 /nfs/dbraw/zinc/60/52/79/490605279.db2.gz KSEDLVJSVVNUHE-HZMVEIRTSA-N 2 2 368.522 0.163 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000486282704 490605284 /nfs/dbraw/zinc/60/52/84/490605284.db2.gz KSEDLVJSVVNUHE-HZMVEIRTSA-N 2 2 368.522 0.163 20 0 FCADLP Cn1cc[nH+]c1CN1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000486350394 490613247 /nfs/dbraw/zinc/61/32/47/490613247.db2.gz DPJBDXRAIKBONC-OAHLLOKOSA-N 2 2 357.462 0.499 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634335 490628467 /nfs/dbraw/zinc/62/84/67/490628467.db2.gz CSVRZGWRGBBFFW-WBVHZDCISA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501634335 490628475 /nfs/dbraw/zinc/62/84/75/490628475.db2.gz CSVRZGWRGBBFFW-WBVHZDCISA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501634335 490628481 /nfs/dbraw/zinc/62/84/81/490628481.db2.gz CSVRZGWRGBBFFW-WBVHZDCISA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501634335 490628485 /nfs/dbraw/zinc/62/84/85/490628485.db2.gz CSVRZGWRGBBFFW-WBVHZDCISA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448407 490629376 /nfs/dbraw/zinc/62/93/76/490629376.db2.gz HLDIXRPFAJPQCP-NVXWUHKLSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448407 490629381 /nfs/dbraw/zinc/62/93/81/490629381.db2.gz HLDIXRPFAJPQCP-NVXWUHKLSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454857 490630429 /nfs/dbraw/zinc/63/04/29/490630429.db2.gz AWYVQHAMMBBBRK-ZFWWWQNUSA-N 2 2 374.441 0.639 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454857 490630433 /nfs/dbraw/zinc/63/04/33/490630433.db2.gz AWYVQHAMMBBBRK-ZFWWWQNUSA-N 2 2 374.441 0.639 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454465 490630647 /nfs/dbraw/zinc/63/06/47/490630647.db2.gz YQSPFLAHGQHGHA-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454465 490630651 /nfs/dbraw/zinc/63/06/51/490630651.db2.gz YQSPFLAHGQHGHA-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCC1(c2ccccc2)CC1 ZINC000486456119 490630996 /nfs/dbraw/zinc/63/09/96/490630996.db2.gz DGMTURHBQGYGBS-SFHVURJKSA-N 2 2 370.497 0.731 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCC1(c2ccccc2)CC1 ZINC000486456119 490631005 /nfs/dbraw/zinc/63/10/05/490631005.db2.gz DGMTURHBQGYGBS-SFHVURJKSA-N 2 2 370.497 0.731 20 0 FCADLP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486457322 490631275 /nfs/dbraw/zinc/63/12/75/490631275.db2.gz HTDITYYAKIWEGU-KRWDZBQOSA-N 2 2 362.449 0.680 20 0 FCADLP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486457322 490631283 /nfs/dbraw/zinc/63/12/83/490631283.db2.gz HTDITYYAKIWEGU-KRWDZBQOSA-N 2 2 362.449 0.680 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454463 490631596 /nfs/dbraw/zinc/63/15/96/490631596.db2.gz YQSPFLAHGQHGHA-QZWWFDLISA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454463 490631600 /nfs/dbraw/zinc/63/16/00/490631600.db2.gz YQSPFLAHGQHGHA-QZWWFDLISA-N 2 2 350.507 0.966 20 0 FCADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486461548 490632472 /nfs/dbraw/zinc/63/24/72/490632472.db2.gz OVESIXALXAWPLO-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486461548 490632477 /nfs/dbraw/zinc/63/24/77/490632477.db2.gz OVESIXALXAWPLO-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC[C@H]1Cc2ccccc2O1 ZINC000486463549 490634737 /nfs/dbraw/zinc/63/47/37/490634737.db2.gz SZHFXXPKEZAYSH-DLBZAZTESA-N 2 2 372.469 0.003 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC[C@H]1Cc2ccccc2O1 ZINC000486463549 490634741 /nfs/dbraw/zinc/63/47/41/490634741.db2.gz SZHFXXPKEZAYSH-DLBZAZTESA-N 2 2 372.469 0.003 20 0 FCADLP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486469770 490636847 /nfs/dbraw/zinc/63/68/47/490636847.db2.gz OTKPCHIZZKGUKI-HNNXBMFYSA-N 2 2 370.453 0.569 20 0 FCADLP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486469770 490636850 /nfs/dbraw/zinc/63/68/50/490636850.db2.gz OTKPCHIZZKGUKI-HNNXBMFYSA-N 2 2 370.453 0.569 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486471170 490637619 /nfs/dbraw/zinc/63/76/19/490637619.db2.gz QNEMNNFZLCLTMG-KRWDZBQOSA-N 2 2 374.485 0.386 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486471170 490637625 /nfs/dbraw/zinc/63/76/25/490637625.db2.gz QNEMNNFZLCLTMG-KRWDZBQOSA-N 2 2 374.485 0.386 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277360 490650831 /nfs/dbraw/zinc/65/08/31/490650831.db2.gz LYAUJTLPZNIQFJ-RDJZCZTQSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550277360 490650837 /nfs/dbraw/zinc/65/08/37/490650837.db2.gz LYAUJTLPZNIQFJ-RDJZCZTQSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000550278858 490652430 /nfs/dbraw/zinc/65/24/30/490652430.db2.gz PISVYIRKMIAKNA-KRWDZBQOSA-N 2 2 366.506 0.014 20 0 FCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512040998 490653096 /nfs/dbraw/zinc/65/30/96/490653096.db2.gz OIWZNLVBTYKKGO-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512040998 490653103 /nfs/dbraw/zinc/65/31/03/490653103.db2.gz OIWZNLVBTYKKGO-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000550361340 490664814 /nfs/dbraw/zinc/66/48/14/490664814.db2.gz ATCCTWOPHYREOI-CABCVRRESA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550360512 490664873 /nfs/dbraw/zinc/66/48/73/490664873.db2.gz VGUFWZQSSTYPJM-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359970 490664914 /nfs/dbraw/zinc/66/49/14/490664914.db2.gz OYACDYBGKVJUNT-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359970 490664921 /nfs/dbraw/zinc/66/49/21/490664921.db2.gz OYACDYBGKVJUNT-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550360678 490665132 /nfs/dbraw/zinc/66/51/32/490665132.db2.gz XTDQNHNFMPXRPG-KRWDZBQOSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550360678 490665137 /nfs/dbraw/zinc/66/51/37/490665137.db2.gz XTDQNHNFMPXRPG-KRWDZBQOSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000550364567 490666258 /nfs/dbraw/zinc/66/62/58/490666258.db2.gz FZAUUNZUAQPWEA-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000550364567 490666260 /nfs/dbraw/zinc/66/62/60/490666260.db2.gz FZAUUNZUAQPWEA-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H](COCC3CC3)C2)CC1 ZINC000486887948 490678181 /nfs/dbraw/zinc/67/81/81/490678181.db2.gz PVCRXVPGAQOUMX-SFHVURJKSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000537583484 490683620 /nfs/dbraw/zinc/68/36/20/490683620.db2.gz UZHYEHAHXFBPMF-ZDUSSCGKSA-N 2 2 359.478 0.400 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)C1 ZINC000527004274 490691457 /nfs/dbraw/zinc/69/14/57/490691457.db2.gz JGOCBMMSRWFOPR-OLZOCXBDSA-N 2 2 360.462 0.561 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)C1 ZINC000527004274 490691462 /nfs/dbraw/zinc/69/14/62/490691462.db2.gz JGOCBMMSRWFOPR-OLZOCXBDSA-N 2 2 360.462 0.561 20 0 FCADLP NC(=O)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOCC1 ZINC000502681966 490715739 /nfs/dbraw/zinc/71/57/39/490715739.db2.gz GAWKEINMSYTDIO-UHFFFAOYSA-N 2 2 353.386 0.905 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000538149328 490716583 /nfs/dbraw/zinc/71/65/83/490716583.db2.gz VFGOAOMVYJQDMC-HNNXBMFYSA-N 2 2 351.451 0.942 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCCCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000538149328 490716588 /nfs/dbraw/zinc/71/65/88/490716588.db2.gz VFGOAOMVYJQDMC-HNNXBMFYSA-N 2 2 351.451 0.942 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000502851435 490725322 /nfs/dbraw/zinc/72/53/22/490725322.db2.gz MEVWWUYELVILRP-MSOLQXFVSA-N 2 2 358.486 0.835 20 0 FCADLP Cn1nccc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000538328027 490726230 /nfs/dbraw/zinc/72/62/30/490726230.db2.gz HXZIBJLOCJQGMQ-UHFFFAOYSA-N 2 2 364.475 0.057 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513467849 490731006 /nfs/dbraw/zinc/73/10/06/490731006.db2.gz CNFICADKWGTTTQ-MRXNPFEDSA-N 2 2 370.538 0.648 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513463199 490731145 /nfs/dbraw/zinc/73/11/45/490731145.db2.gz JYSQOCHAMGVPEI-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP O=C(NCCCC[NH+]1CCOCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000502941515 490731797 /nfs/dbraw/zinc/73/17/97/490731797.db2.gz QQEQRUHNJWCQCV-UHFFFAOYSA-N 2 2 350.467 0.349 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](S(C)(=O)=O)CC3)cn2)CC1 ZINC000503069887 490737666 /nfs/dbraw/zinc/73/76/66/490737666.db2.gz AMMIFIAXPBQCHH-MRXNPFEDSA-N 2 2 367.519 0.628 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](S(C)(=O)=O)CC3)cn2)CC1 ZINC000503069887 490737668 /nfs/dbraw/zinc/73/76/68/490737668.db2.gz AMMIFIAXPBQCHH-MRXNPFEDSA-N 2 2 367.519 0.628 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1OC ZINC000487994160 490740711 /nfs/dbraw/zinc/74/07/11/490740711.db2.gz YAICLISPPZSIBA-HZPDHXFCSA-N 2 2 353.488 0.738 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000488279279 490753138 /nfs/dbraw/zinc/75/31/38/490753138.db2.gz JESUEFLYGPUIKX-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000488279279 490753141 /nfs/dbraw/zinc/75/31/41/490753141.db2.gz JESUEFLYGPUIKX-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000488279279 490753143 /nfs/dbraw/zinc/75/31/43/490753143.db2.gz JESUEFLYGPUIKX-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000488279279 490753147 /nfs/dbraw/zinc/75/31/47/490753147.db2.gz JESUEFLYGPUIKX-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1CCCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538868284 490754474 /nfs/dbraw/zinc/75/44/74/490754474.db2.gz MUIXWYGGMLTRKB-MRXNPFEDSA-N 2 2 368.503 0.692 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC(=O)N3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000539145558 490765162 /nfs/dbraw/zinc/76/51/62/490765162.db2.gz ILTVJDXQNKJRAN-HUUCEWRRSA-N 2 2 368.478 0.128 20 0 FCADLP CCOC(=O)CCCS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000539232981 490772086 /nfs/dbraw/zinc/77/20/86/490772086.db2.gz NQXGMKLHLJTEFI-UHFFFAOYSA-N 2 2 363.524 0.617 20 0 FCADLP CCOC(=O)CCCS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539232981 490772087 /nfs/dbraw/zinc/77/20/87/490772087.db2.gz NQXGMKLHLJTEFI-UHFFFAOYSA-N 2 2 363.524 0.617 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000539228975 490772126 /nfs/dbraw/zinc/77/21/26/490772126.db2.gz LGPPBFCVOTVMAB-HZPDHXFCSA-N 2 2 370.494 0.234 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000539228975 490772128 /nfs/dbraw/zinc/77/21/28/490772128.db2.gz LGPPBFCVOTVMAB-HZPDHXFCSA-N 2 2 370.494 0.234 20 0 FCADLP C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748658 490773697 /nfs/dbraw/zinc/77/36/97/490773697.db2.gz QMDCZDHUOPBPFU-LPHOPBHVSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748658 490773701 /nfs/dbraw/zinc/77/37/01/490773701.db2.gz QMDCZDHUOPBPFU-LPHOPBHVSA-N 2 2 373.497 0.968 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CCC2 ZINC000514730405 490785217 /nfs/dbraw/zinc/78/52/17/490785217.db2.gz QUTRNECYFMAUNC-JKSUJKDBSA-N 2 2 359.474 0.882 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@H+]3CCCC[C@@H]3C1)CCC2 ZINC000514730405 490785220 /nfs/dbraw/zinc/78/52/20/490785220.db2.gz QUTRNECYFMAUNC-JKSUJKDBSA-N 2 2 359.474 0.882 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000514861935 490793578 /nfs/dbraw/zinc/79/35/78/490793578.db2.gz YMWBBCMRWGVMHD-FQEVSTJZSA-N 2 2 356.470 0.543 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000539797721 490796318 /nfs/dbraw/zinc/79/63/18/490796318.db2.gz PKUIVLJQOBMFTK-HNNXBMFYSA-N 2 2 372.429 0.226 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCCS(N)(=O)=O ZINC000566328174 491436551 /nfs/dbraw/zinc/43/65/51/491436551.db2.gz MSYYDIRPWPYQMU-UHFFFAOYSA-N 2 2 362.540 0.320 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCCS(N)(=O)=O ZINC000566328174 491436552 /nfs/dbraw/zinc/43/65/52/491436552.db2.gz MSYYDIRPWPYQMU-UHFFFAOYSA-N 2 2 362.540 0.320 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000540174364 490809381 /nfs/dbraw/zinc/80/93/81/490809381.db2.gz JUWBXPOARMFGDU-LBPRGKRZSA-N 2 2 354.476 0.606 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171586 490811097 /nfs/dbraw/zinc/81/10/97/490811097.db2.gz RQKHTMPWLGHRPH-ZFWWWQNUSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171586 490811100 /nfs/dbraw/zinc/81/11/00/490811100.db2.gz RQKHTMPWLGHRPH-ZFWWWQNUSA-N 2 2 366.849 0.079 20 0 FCADLP C[C@@H]1[NH2+]CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)[C@H]1C ZINC000557168391 491357580 /nfs/dbraw/zinc/35/75/80/491357580.db2.gz WCJPCHQCRBMEQH-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000557240971 491361223 /nfs/dbraw/zinc/36/12/23/491361223.db2.gz KZNNBQGHQOAURG-KRWDZBQOSA-N 2 2 356.474 0.976 20 0 FCADLP CC(C)(CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000529283407 490847383 /nfs/dbraw/zinc/84/73/83/490847383.db2.gz QUCGBHVXFBPWRC-KRWDZBQOSA-N 2 2 368.522 0.897 20 0 FCADLP COC(=O)[C@@H]1CC12CC[NH+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000506212407 490856005 /nfs/dbraw/zinc/85/60/05/490856005.db2.gz YVNCXJJUPLUTHG-HNNXBMFYSA-N 2 2 367.490 0.489 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000516470372 490864551 /nfs/dbraw/zinc/86/45/51/490864551.db2.gz QBKOSMKGKNRLNP-CVEARBPZSA-N 3 2 361.490 0.752 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCS(=O)(=O)NC(C)C)c2cc1C ZINC000516645036 490872308 /nfs/dbraw/zinc/87/23/08/490872308.db2.gz LBEOOKVLRWTOKJ-HNNXBMFYSA-N 2 2 368.503 0.931 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000542155644 490887828 /nfs/dbraw/zinc/88/78/28/490887828.db2.gz JDLONYTZLBBQOU-NVXWUHKLSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000542155644 490887831 /nfs/dbraw/zinc/88/78/31/490887831.db2.gz JDLONYTZLBBQOU-NVXWUHKLSA-N 2 2 369.506 0.877 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975159 490888979 /nfs/dbraw/zinc/88/89/79/490888979.db2.gz PTHFSCQBTOZWKE-GDBMZVCRSA-N 2 2 359.467 0.539 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975159 490888980 /nfs/dbraw/zinc/88/89/80/490888980.db2.gz PTHFSCQBTOZWKE-GDBMZVCRSA-N 2 2 359.467 0.539 20 0 FCADLP C[C@@H](C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000542594631 490901209 /nfs/dbraw/zinc/90/12/09/490901209.db2.gz GDNGPGUJQCKABT-ICSRJNTNSA-N 2 2 373.545 0.727 20 0 FCADLP C[C@@H](C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000542594624 490901240 /nfs/dbraw/zinc/90/12/40/490901240.db2.gz GDNGPGUJQCKABT-AZUAARDMSA-N 2 2 373.545 0.727 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000517249639 490901583 /nfs/dbraw/zinc/90/15/83/490901583.db2.gz NLAQTIYBQJTAMB-LSDHHAIUSA-N 2 2 354.495 0.202 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000542715323 490905367 /nfs/dbraw/zinc/90/53/67/490905367.db2.gz DAXNRDHOMVPNHN-UHFFFAOYSA-N 2 2 373.501 0.822 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000542761785 490907303 /nfs/dbraw/zinc/90/73/03/490907303.db2.gz UMSGJISFJSWWCN-HZPDHXFCSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000542761785 490907306 /nfs/dbraw/zinc/90/73/06/490907306.db2.gz UMSGJISFJSWWCN-HZPDHXFCSA-N 2 2 374.551 0.621 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000530474625 490907352 /nfs/dbraw/zinc/90/73/52/490907352.db2.gz BSZZQYRELUQHMP-SFHVURJKSA-N 2 2 371.547 0.813 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000530566350 490913133 /nfs/dbraw/zinc/91/31/33/490913133.db2.gz DXUMRFWEFJOKKX-SFHVURJKSA-N 2 2 361.442 0.433 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000530566350 490913134 /nfs/dbraw/zinc/91/31/34/490913134.db2.gz DXUMRFWEFJOKKX-SFHVURJKSA-N 2 2 361.442 0.433 20 0 FCADLP CC(C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000517692781 490916763 /nfs/dbraw/zinc/91/67/63/490916763.db2.gz OGMCDLBOBWWLAL-KRWDZBQOSA-N 2 2 354.495 0.062 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180288 490924075 /nfs/dbraw/zinc/92/40/75/490924075.db2.gz ORNHDWYMGPMOBA-UFYCRDLUSA-N 2 2 373.497 0.838 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180288 490924077 /nfs/dbraw/zinc/92/40/77/490924077.db2.gz ORNHDWYMGPMOBA-UFYCRDLUSA-N 2 2 373.497 0.838 20 0 FCADLP Cc1ncc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000543183783 490924589 /nfs/dbraw/zinc/92/45/89/490924589.db2.gz USCYJXDUSBYIHY-UHFFFAOYSA-N 2 2 362.478 0.848 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000530866493 490928649 /nfs/dbraw/zinc/92/86/49/490928649.db2.gz QJZYZOBPDNIRBY-HNNXBMFYSA-N 2 2 350.467 0.679 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000530866493 490928650 /nfs/dbraw/zinc/92/86/50/490928650.db2.gz QJZYZOBPDNIRBY-HNNXBMFYSA-N 2 2 350.467 0.679 20 0 FCADLP C[C@H]1CCCC[C@H]1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000543394627 490932010 /nfs/dbraw/zinc/93/20/10/490932010.db2.gz VICVHVMQMPVYHR-IRXDYDNUSA-N 2 2 358.552 0.923 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000518380829 490938903 /nfs/dbraw/zinc/93/89/03/490938903.db2.gz AZHLSNQBMZMUOT-HXUWFJFHSA-N 3 2 371.529 0.310 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000518380829 490938905 /nfs/dbraw/zinc/93/89/05/490938905.db2.gz AZHLSNQBMZMUOT-HXUWFJFHSA-N 3 2 371.529 0.310 20 0 FCADLP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000543617135 490938995 /nfs/dbraw/zinc/93/89/95/490938995.db2.gz PWZBGTUWVOEUTM-OAHLLOKOSA-N 2 2 374.489 0.933 20 0 FCADLP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000543617135 490938997 /nfs/dbraw/zinc/93/89/97/490938997.db2.gz PWZBGTUWVOEUTM-OAHLLOKOSA-N 2 2 374.489 0.933 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)cn1 ZINC000531133212 490942762 /nfs/dbraw/zinc/94/27/62/490942762.db2.gz GLJCAEQSRMVDTH-QGZVFWFLSA-N 2 2 366.535 0.685 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(OC)c1OCC(N)=O ZINC000543768589 490946256 /nfs/dbraw/zinc/94/62/56/490946256.db2.gz VPXUJCOVZWOHPY-CYBMUJFWSA-N 2 2 351.447 0.951 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(OC)c1OCC(N)=O ZINC000543768589 490946258 /nfs/dbraw/zinc/94/62/58/490946258.db2.gz VPXUJCOVZWOHPY-CYBMUJFWSA-N 2 2 351.447 0.951 20 0 FCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(F)F ZINC000518777231 490950818 /nfs/dbraw/zinc/95/08/18/490950818.db2.gz WTBWBZBTJMAQHH-LSDHHAIUSA-N 3 2 351.401 0.900 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000557303728 491366565 /nfs/dbraw/zinc/36/65/65/491366565.db2.gz ZGNOIFICAGUCEP-UHFFFAOYSA-N 2 2 366.462 0.360 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000557303728 491366567 /nfs/dbraw/zinc/36/65/67/491366567.db2.gz ZGNOIFICAGUCEP-UHFFFAOYSA-N 2 2 366.462 0.360 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978788 490957478 /nfs/dbraw/zinc/95/74/78/490957478.db2.gz CODZAGVGTULCNZ-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978788 490957479 /nfs/dbraw/zinc/95/74/79/490957479.db2.gz CODZAGVGTULCNZ-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000572384738 491366788 /nfs/dbraw/zinc/36/67/88/491366788.db2.gz MIUIDMNDTWRSAV-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000572384738 491366789 /nfs/dbraw/zinc/36/67/89/491366789.db2.gz MIUIDMNDTWRSAV-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000519121309 490962252 /nfs/dbraw/zinc/96/22/52/490962252.db2.gz XXIWWKRIANHTSF-OWCLPIDISA-N 2 2 354.495 0.380 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000519198453 490964813 /nfs/dbraw/zinc/96/48/13/490964813.db2.gz HEPYXSRVPBXTOC-SFHVURJKSA-N 2 2 370.497 0.992 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000519198453 490964814 /nfs/dbraw/zinc/96/48/14/490964814.db2.gz HEPYXSRVPBXTOC-SFHVURJKSA-N 2 2 370.497 0.992 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284267 490967644 /nfs/dbraw/zinc/96/76/44/490967644.db2.gz NGXPMLCBHDYPDT-JZXOWHBKSA-N 2 2 351.495 0.008 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000519284267 490967647 /nfs/dbraw/zinc/96/76/47/490967647.db2.gz NGXPMLCBHDYPDT-JZXOWHBKSA-N 2 2 351.495 0.008 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000531837945 490976451 /nfs/dbraw/zinc/97/64/51/490976451.db2.gz GHWQKQLPRSAFTJ-DLBZAZTESA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000531837945 490976453 /nfs/dbraw/zinc/97/64/53/490976453.db2.gz GHWQKQLPRSAFTJ-DLBZAZTESA-N 2 2 353.511 0.127 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000519653896 490982423 /nfs/dbraw/zinc/98/24/23/490982423.db2.gz MCGFRKZCGVNAHE-KCPJHIHWSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000519653896 490982425 /nfs/dbraw/zinc/98/24/25/490982425.db2.gz MCGFRKZCGVNAHE-KCPJHIHWSA-N 2 2 352.460 0.332 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000532136358 490988616 /nfs/dbraw/zinc/98/86/16/490988616.db2.gz SZQCIMCLHKYITE-INIZCTEOSA-N 2 2 355.527 0.157 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n1C ZINC000532171997 490989308 /nfs/dbraw/zinc/98/93/08/490989308.db2.gz YUDCGADPMHKJQR-JKSUJKDBSA-N 2 2 364.494 0.929 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000532574778 490994595 /nfs/dbraw/zinc/99/45/95/490994595.db2.gz AQZMHFWBEPBZNL-QGZVFWFLSA-N 2 2 360.502 0.975 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000532574778 490994596 /nfs/dbraw/zinc/99/45/96/490994596.db2.gz AQZMHFWBEPBZNL-QGZVFWFLSA-N 2 2 360.502 0.975 20 0 FCADLP CN(C(=O)c1ccc(-n2cncn2)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476905 491926220 /nfs/dbraw/zinc/92/62/20/491926220.db2.gz BVIKDCNOZMHIKG-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccc(-n2cncn2)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476905 491926223 /nfs/dbraw/zinc/92/62/23/491926223.db2.gz BVIKDCNOZMHIKG-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP CSC1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH+](C)CC1 ZINC000595634330 491946098 /nfs/dbraw/zinc/94/60/98/491946098.db2.gz IJTFWSUWGZVETK-HNNXBMFYSA-N 2 2 356.536 0.930 20 0 FCADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1C ZINC000602002145 491956915 /nfs/dbraw/zinc/95/69/15/491956915.db2.gz QEDVPYQAWSCSGD-HNNXBMFYSA-N 2 2 350.463 0.844 20 0 FCADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1C ZINC000602002145 491956917 /nfs/dbraw/zinc/95/69/17/491956917.db2.gz QEDVPYQAWSCSGD-HNNXBMFYSA-N 2 2 350.463 0.844 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000569602670 491173481 /nfs/dbraw/zinc/17/34/81/491173481.db2.gz JKHZBHYKVMMEGM-QLFBSQMISA-N 2 2 350.467 0.211 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C[C@H](C)O1 ZINC000569602670 491173485 /nfs/dbraw/zinc/17/34/85/491173485.db2.gz JKHZBHYKVMMEGM-QLFBSQMISA-N 2 2 350.467 0.211 20 0 FCADLP C[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000569674447 491180735 /nfs/dbraw/zinc/18/07/35/491180735.db2.gz PXACSTURFXIZFC-GJZGRUSLSA-N 2 2 374.489 0.918 20 0 FCADLP Cc1c(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnn1C ZINC000572434483 491369941 /nfs/dbraw/zinc/36/99/41/491369941.db2.gz UHXDVDJOQKFSGP-UHFFFAOYSA-N 2 2 350.448 0.676 20 0 FCADLP CCN1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000572467104 491371934 /nfs/dbraw/zinc/37/19/34/491371934.db2.gz GVNGLXLKJXTSNJ-PBHICJAKSA-N 2 2 350.467 0.567 20 0 FCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000572717786 491388960 /nfs/dbraw/zinc/38/89/60/491388960.db2.gz COSTYYFSKVIPDF-GDBMZVCRSA-N 2 2 374.489 0.539 20 0 FCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000572717786 491388963 /nfs/dbraw/zinc/38/89/63/491388963.db2.gz COSTYYFSKVIPDF-GDBMZVCRSA-N 2 2 374.489 0.539 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000660281335 493339604 /nfs/dbraw/zinc/33/96/04/493339604.db2.gz VTUQDBYZOUMJBV-HZPDHXFCSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000660281335 493339607 /nfs/dbraw/zinc/33/96/07/493339607.db2.gz VTUQDBYZOUMJBV-HZPDHXFCSA-N 2 2 361.490 0.703 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000572735799 491390431 /nfs/dbraw/zinc/39/04/31/491390431.db2.gz HXVYVKHNDMGQHO-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000557702804 491391868 /nfs/dbraw/zinc/39/18/68/491391868.db2.gz BRPQSQVSRORHKR-LSDHHAIUSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000557705700 491392426 /nfs/dbraw/zinc/39/24/26/491392426.db2.gz QVKWUONCIMULCF-ZJIFWQFVSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000557707067 491392904 /nfs/dbraw/zinc/39/29/04/491392904.db2.gz YMOOVMNMYWFIOU-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000572956524 491403580 /nfs/dbraw/zinc/40/35/80/491403580.db2.gz NINGMYZSLCTZGO-FGTMMUONSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000572956524 491403583 /nfs/dbraw/zinc/40/35/83/491403583.db2.gz NINGMYZSLCTZGO-FGTMMUONSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000673519414 493340602 /nfs/dbraw/zinc/34/06/02/493340602.db2.gz NREWRPPBTVNCLC-GDBMZVCRSA-N 2 2 352.454 0.375 20 0 FCADLP C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000673519417 493340615 /nfs/dbraw/zinc/34/06/15/493340615.db2.gz NREWRPPBTVNCLC-ZBFHGGJFSA-N 2 2 352.454 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC000572975527 491404917 /nfs/dbraw/zinc/40/49/17/491404917.db2.gz ONYOYRLOSVDNKG-CRAIPNDOSA-N 2 2 362.474 0.886 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000572979681 491405462 /nfs/dbraw/zinc/40/54/62/491405462.db2.gz WGYDSEXKIGAQQL-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000572979990 491405680 /nfs/dbraw/zinc/40/56/80/491405680.db2.gz BFAFQLWCCHOJJK-QGZVFWFLSA-N 2 2 358.442 0.804 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660297790 493340689 /nfs/dbraw/zinc/34/06/89/493340689.db2.gz QEEVMPPUJQBEQQ-SJORKVTESA-N 2 2 354.495 0.459 20 0 FCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000573015977 491407460 /nfs/dbraw/zinc/40/74/60/491407460.db2.gz DFKBCWBTKUODRC-UHFFFAOYSA-N 3 2 369.473 0.666 20 0 FCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCN(c2ccccn2)CC1 ZINC000573015977 491407462 /nfs/dbraw/zinc/40/74/62/491407462.db2.gz DFKBCWBTKUODRC-UHFFFAOYSA-N 2 2 369.473 0.666 20 0 FCADLP C[C@H]1[C@@H](C)[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000573075276 491410460 /nfs/dbraw/zinc/41/04/60/491410460.db2.gz UIONKRGDZUIQCU-RBSFLKMASA-N 2 2 371.489 0.988 20 0 FCADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099177 491412459 /nfs/dbraw/zinc/41/24/59/491412459.db2.gz QGIBDNBGUOUDRY-KBXCAEBGSA-N 2 2 373.501 0.537 20 0 FCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000558133644 491415983 /nfs/dbraw/zinc/41/59/83/491415983.db2.gz WRZLBTYPAVHNGL-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000573213190 491419827 /nfs/dbraw/zinc/41/98/27/491419827.db2.gz CCVVJGCKZASMIA-QGZVFWFLSA-N 2 2 373.501 0.991 20 0 FCADLP COc1ccc(C[C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000573224552 491420210 /nfs/dbraw/zinc/42/02/10/491420210.db2.gz XGVNWFWMSGMURV-ZFWWWQNUSA-N 2 2 350.463 0.919 20 0 FCADLP COc1ccc(C[C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000573224552 491420212 /nfs/dbraw/zinc/42/02/12/491420212.db2.gz XGVNWFWMSGMURV-ZFWWWQNUSA-N 2 2 350.463 0.919 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558229481 491421234 /nfs/dbraw/zinc/42/12/34/491421234.db2.gz CPLCYUOHLRSZES-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558229481 491421237 /nfs/dbraw/zinc/42/12/37/491421237.db2.gz CPLCYUOHLRSZES-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000566169294 491422293 /nfs/dbraw/zinc/42/22/93/491422293.db2.gz BHXGVFILCAQJCK-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000566195832 491424957 /nfs/dbraw/zinc/42/49/57/491424957.db2.gz PMOKFYBYBGIXOE-QZTJIDSGSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1n1cc[nH+]c1 ZINC000558374463 491428081 /nfs/dbraw/zinc/42/80/81/491428081.db2.gz ZSTJNMRJENFACO-RBSFLKMASA-N 2 2 356.430 0.620 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000558573910 491436612 /nfs/dbraw/zinc/43/66/12/491436612.db2.gz HZXSVEONSQZVSD-UHFFFAOYSA-N 2 2 367.413 0.928 20 0 FCADLP CC1C[C@@H](C(=O)NCc2c[nH+]cn2C)[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000573494870 491436631 /nfs/dbraw/zinc/43/66/31/491436631.db2.gz KXOUBAZYRZBQRO-HZPDHXFCSA-N 2 2 358.446 0.749 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000573505621 491437710 /nfs/dbraw/zinc/43/77/10/491437710.db2.gz BEVUQXSXNWCBMN-WBVHZDCISA-N 2 2 360.458 0.124 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000573505621 491437713 /nfs/dbraw/zinc/43/77/13/491437713.db2.gz BEVUQXSXNWCBMN-WBVHZDCISA-N 2 2 360.458 0.124 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000566355736 491439188 /nfs/dbraw/zinc/43/91/88/491439188.db2.gz JSFVXSNEDQNONS-MRXNPFEDSA-N 2 2 359.536 0.863 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)CC1 ZINC000558630563 491439241 /nfs/dbraw/zinc/43/92/41/491439241.db2.gz OXTFDLSKZFHOPN-INIZCTEOSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)CC1 ZINC000558630563 491439243 /nfs/dbraw/zinc/43/92/43/491439243.db2.gz OXTFDLSKZFHOPN-INIZCTEOSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000573697312 491449123 /nfs/dbraw/zinc/44/91/23/491449123.db2.gz RBZDBLARLXBJHK-MRXNPFEDSA-N 2 2 359.474 0.577 20 0 FCADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1(C)C ZINC000573763689 491453282 /nfs/dbraw/zinc/45/32/82/491453282.db2.gz RJYVDWPUFUESDA-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1(C)C ZINC000573763689 491453284 /nfs/dbraw/zinc/45/32/84/491453284.db2.gz RJYVDWPUFUESDA-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573770626 491453853 /nfs/dbraw/zinc/45/38/53/491453853.db2.gz QWXMMHANZDHFPJ-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573770626 491453855 /nfs/dbraw/zinc/45/38/55/491453855.db2.gz QWXMMHANZDHFPJ-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000573847484 491458768 /nfs/dbraw/zinc/45/87/68/491458768.db2.gz PUMRWYPGOIUVGW-FUHWJXTLSA-N 2 2 358.486 0.774 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000573928361 491463450 /nfs/dbraw/zinc/46/34/50/491463450.db2.gz OWBUBRCLTSIIJH-KRWDZBQOSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000573928361 491463452 /nfs/dbraw/zinc/46/34/52/491463452.db2.gz OWBUBRCLTSIIJH-KRWDZBQOSA-N 2 2 368.522 0.849 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000559364371 491467706 /nfs/dbraw/zinc/46/77/06/491467706.db2.gz NDMQCVDMIZUIIV-UONOGXRCSA-N 2 2 359.430 0.748 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000559379063 491468617 /nfs/dbraw/zinc/46/86/17/491468617.db2.gz MQUMGXHEIZINQO-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000559384721 491469706 /nfs/dbraw/zinc/46/97/06/491469706.db2.gz ZPYFGMDGPUZYCY-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000559384721 491469707 /nfs/dbraw/zinc/46/97/07/491469707.db2.gz ZPYFGMDGPUZYCY-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000559384097 491469741 /nfs/dbraw/zinc/46/97/41/491469741.db2.gz GUGPYEPMLSHMRR-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000566859693 491471654 /nfs/dbraw/zinc/47/16/54/491471654.db2.gz CCNOVFMSXWCDCM-CVEARBPZSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000566874043 491472673 /nfs/dbraw/zinc/47/26/73/491472673.db2.gz XWZNJDSQEDVXBK-HRCADAONSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000566874043 491472677 /nfs/dbraw/zinc/47/26/77/491472677.db2.gz XWZNJDSQEDVXBK-HRCADAONSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000559505627 491478333 /nfs/dbraw/zinc/47/83/33/491478333.db2.gz ABHZUTXSUJSNKQ-SOUVJXGZSA-N 2 2 368.522 0.589 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000559505627 491478338 /nfs/dbraw/zinc/47/83/38/491478338.db2.gz ABHZUTXSUJSNKQ-SOUVJXGZSA-N 2 2 368.522 0.589 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000559505627 491478340 /nfs/dbraw/zinc/47/83/40/491478340.db2.gz ABHZUTXSUJSNKQ-SOUVJXGZSA-N 2 2 368.522 0.589 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000559505627 491478343 /nfs/dbraw/zinc/47/83/43/491478343.db2.gz ABHZUTXSUJSNKQ-SOUVJXGZSA-N 2 2 368.522 0.589 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000567031469 491481432 /nfs/dbraw/zinc/48/14/32/491481432.db2.gz TYHOGEUPVZEHFU-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000567031469 491481434 /nfs/dbraw/zinc/48/14/34/491481434.db2.gz TYHOGEUPVZEHFU-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000559599905 491484525 /nfs/dbraw/zinc/48/45/25/491484525.db2.gz LQIQZBNKNVKYQP-INIZCTEOSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000559599905 491484526 /nfs/dbraw/zinc/48/45/26/491484526.db2.gz LQIQZBNKNVKYQP-INIZCTEOSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567225185 491492889 /nfs/dbraw/zinc/49/28/89/491492889.db2.gz ZDLVHTPWGMVNJQ-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000567225185 491492892 /nfs/dbraw/zinc/49/28/92/491492892.db2.gz ZDLVHTPWGMVNJQ-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000567267117 491495705 /nfs/dbraw/zinc/49/57/05/491495705.db2.gz SWBPILPDTUYAIQ-STQMWFEESA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000567267117 491495707 /nfs/dbraw/zinc/49/57/07/491495707.db2.gz SWBPILPDTUYAIQ-STQMWFEESA-N 2 2 350.850 0.794 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)ccn2)CC1 ZINC000567333544 491500096 /nfs/dbraw/zinc/50/00/96/491500096.db2.gz FBKZUPSLQPBDOS-MRXNPFEDSA-N 2 2 372.473 0.827 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000574510909 491501770 /nfs/dbraw/zinc/50/17/70/491501770.db2.gz AGUQDHYUZVEWSQ-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000574510909 491501772 /nfs/dbraw/zinc/50/17/72/491501772.db2.gz AGUQDHYUZVEWSQ-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000574510907 491501847 /nfs/dbraw/zinc/50/18/47/491501847.db2.gz AGUQDHYUZVEWSQ-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000574510907 491501850 /nfs/dbraw/zinc/50/18/50/491501850.db2.gz AGUQDHYUZVEWSQ-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000574549295 491504487 /nfs/dbraw/zinc/50/44/87/491504487.db2.gz TYHOGEUPVZEHFU-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000574549295 491504489 /nfs/dbraw/zinc/50/44/89/491504489.db2.gz TYHOGEUPVZEHFU-XHSDSOJGSA-N 2 2 352.458 0.726 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000574572425 491505997 /nfs/dbraw/zinc/50/59/97/491505997.db2.gz TWZHJOMNUXQDCZ-ZWKOTPCHSA-N 2 2 356.470 0.399 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCOCCOCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000567454640 491507430 /nfs/dbraw/zinc/50/74/30/491507430.db2.gz OWZOANQUJLHYGQ-SFHVURJKSA-N 2 2 364.490 0.894 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCOCCOCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000567454640 491507432 /nfs/dbraw/zinc/50/74/32/491507432.db2.gz OWZOANQUJLHYGQ-SFHVURJKSA-N 2 2 364.490 0.894 20 0 FCADLP CC[NH+](CC)CCN(C(=O)c1coc(C[NH3+])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000567472577 491508029 /nfs/dbraw/zinc/50/80/29/491508029.db2.gz IIIKVOFHCOSRFI-CQSZACIVSA-N 2 2 357.476 0.709 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)cc[nH+]1 ZINC000567485859 491508944 /nfs/dbraw/zinc/50/89/44/491508944.db2.gz SCXREXVAZSCKOG-IRXDYDNUSA-N 2 2 355.442 1.144 20 0 FCADLP C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000559962110 491512585 /nfs/dbraw/zinc/51/25/85/491512585.db2.gz NSFLFNWWPBJGKZ-GFCCVEGCSA-N 2 2 355.464 0.052 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000559968130 491512621 /nfs/dbraw/zinc/51/26/21/491512621.db2.gz WEDRSDQKAHDSJL-RBSFLKMASA-N 2 2 351.451 0.003 20 0 FCADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000567603996 491517432 /nfs/dbraw/zinc/51/74/32/491517432.db2.gz MBKODBABTYKZFP-PMPSAXMXSA-N 2 2 360.524 0.004 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000567609358 491517834 /nfs/dbraw/zinc/51/78/34/491517834.db2.gz COFKJMUEYVPCFG-HNNXBMFYSA-N 2 2 362.430 0.096 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC([NH3+])C1 ZINC000567616516 491518259 /nfs/dbraw/zinc/51/82/59/491518259.db2.gz BSJHFNKUIDBBAB-UHFFFAOYSA-N 2 2 358.486 0.687 20 0 FCADLP C[NH2+]C[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000574757292 491518454 /nfs/dbraw/zinc/51/84/54/491518454.db2.gz YNTGKPVNRVNVHH-NSHDSACASA-N 2 2 351.266 0.393 20 0 FCADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000567641471 491520026 /nfs/dbraw/zinc/52/00/26/491520026.db2.gz ADDMAXUXGHXXKP-YOEHRIQHSA-N 2 2 353.488 0.938 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000567771344 491528514 /nfs/dbraw/zinc/52/85/14/491528514.db2.gz AFXVSGQFMHZRED-HNNXBMFYSA-N 2 2 359.405 0.886 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000567822619 491532125 /nfs/dbraw/zinc/53/21/25/491532125.db2.gz GCXFAOFZFRBQIP-QGZVFWFLSA-N 2 2 361.442 0.207 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]([NH3+])C3CCC3)c2)CC1 ZINC000567966684 491543658 /nfs/dbraw/zinc/54/36/58/491543658.db2.gz ZHEDHNUNIDFODV-INIZCTEOSA-N 2 2 366.487 0.689 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192768 491544473 /nfs/dbraw/zinc/54/44/73/491544473.db2.gz MLTFUEXTCRHIKM-JKSUJKDBSA-N 2 2 359.474 0.849 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000567981914 491544732 /nfs/dbraw/zinc/54/47/32/491544732.db2.gz BILIBFFVFYKHMC-FGTMMUONSA-N 2 2 367.453 0.538 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC2)c1 ZINC000560652647 491549633 /nfs/dbraw/zinc/54/96/33/491549633.db2.gz QMFDFADNLIXXCE-UHFFFAOYSA-N 2 2 363.462 0.195 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC2)c1 ZINC000560652647 491549635 /nfs/dbraw/zinc/54/96/35/491549635.db2.gz QMFDFADNLIXXCE-UHFFFAOYSA-N 2 2 363.462 0.195 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000568086466 491552473 /nfs/dbraw/zinc/55/24/73/491552473.db2.gz ZOWDPMIIHALJCS-HOCLYGCPSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000568086466 491552475 /nfs/dbraw/zinc/55/24/75/491552475.db2.gz ZOWDPMIIHALJCS-HOCLYGCPSA-N 2 2 351.495 0.452 20 0 FCADLP COc1ccccc1N1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000568231824 491561738 /nfs/dbraw/zinc/56/17/38/491561738.db2.gz PHZNXTZYAWGAGR-KBPBESRZSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccccc1N1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000568231824 491561739 /nfs/dbraw/zinc/56/17/39/491561739.db2.gz PHZNXTZYAWGAGR-KBPBESRZSA-N 2 2 361.446 0.085 20 0 FCADLP Cn1ncc2c1nc(N)[nH+]c2NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000568241559 491562236 /nfs/dbraw/zinc/56/22/36/491562236.db2.gz RIWFGKLLUZYYNN-UHFFFAOYSA-N 3 2 367.461 0.965 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000575837554 491564146 /nfs/dbraw/zinc/56/41/46/491564146.db2.gz FABSAILHGNOYKB-UHFFFAOYSA-N 3 2 361.538 0.298 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000575837554 491564148 /nfs/dbraw/zinc/56/41/48/491564148.db2.gz FABSAILHGNOYKB-UHFFFAOYSA-N 3 2 361.538 0.298 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267338 491564383 /nfs/dbraw/zinc/56/43/83/491564383.db2.gz FBEWGEUOZGZMKG-MSOLQXFVSA-N 2 2 370.497 0.858 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267338 491564386 /nfs/dbraw/zinc/56/43/86/491564386.db2.gz FBEWGEUOZGZMKG-MSOLQXFVSA-N 2 2 370.497 0.858 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568270264 491565513 /nfs/dbraw/zinc/56/55/13/491565513.db2.gz YTTPRFCYRPPDMQ-IXDOHACOSA-N 2 2 358.486 0.971 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568270264 491565515 /nfs/dbraw/zinc/56/55/15/491565515.db2.gz YTTPRFCYRPPDMQ-IXDOHACOSA-N 2 2 358.486 0.971 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000568277805 491566025 /nfs/dbraw/zinc/56/60/25/491566025.db2.gz FJSDYJYDPIAYLN-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000568277805 491566026 /nfs/dbraw/zinc/56/60/26/491566026.db2.gz FJSDYJYDPIAYLN-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000576040957 491577860 /nfs/dbraw/zinc/57/78/60/491577860.db2.gz ZZVCQIKXWIQYTK-CEXWTWQISA-N 2 2 370.497 0.917 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000576040958 491578022 /nfs/dbraw/zinc/57/80/22/491578022.db2.gz ZZVCQIKXWIQYTK-GBESFXJTSA-N 2 2 370.497 0.917 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000568449525 491578298 /nfs/dbraw/zinc/57/82/98/491578298.db2.gz JDEWAQYGDNGXMM-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000568449525 491578299 /nfs/dbraw/zinc/57/82/99/491578299.db2.gz JDEWAQYGDNGXMM-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000568449525 491578300 /nfs/dbraw/zinc/57/83/00/491578300.db2.gz JDEWAQYGDNGXMM-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000568449525 491578301 /nfs/dbraw/zinc/57/83/01/491578301.db2.gz JDEWAQYGDNGXMM-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000576054281 491578880 /nfs/dbraw/zinc/57/88/80/491578880.db2.gz XSCDGMNFVFRRDC-MRXNPFEDSA-N 2 2 372.473 0.600 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000561196694 491581979 /nfs/dbraw/zinc/58/19/79/491581979.db2.gz ILDNIEADCGFQNP-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561198546 491582742 /nfs/dbraw/zinc/58/27/42/491582742.db2.gz UIEYXHZPXOGLPJ-NVXWUHKLSA-N 2 2 361.490 0.833 20 0 FCADLP C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561198546 491582744 /nfs/dbraw/zinc/58/27/44/491582744.db2.gz UIEYXHZPXOGLPJ-NVXWUHKLSA-N 2 2 361.490 0.833 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NCC1CC[NH2+]CC1 ZINC000561204232 491582807 /nfs/dbraw/zinc/58/28/07/491582807.db2.gz MFCFKBJHROBCTQ-IRXDYDNUSA-N 2 2 366.485 0.974 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NCC1CC[NH2+]CC1 ZINC000561204232 491582811 /nfs/dbraw/zinc/58/28/11/491582811.db2.gz MFCFKBJHROBCTQ-IRXDYDNUSA-N 2 2 366.485 0.974 20 0 FCADLP C[C@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000561205465 491583311 /nfs/dbraw/zinc/58/33/11/491583311.db2.gz DBUGJXQYNLVQJW-QGZVFWFLSA-N 2 2 358.486 0.787 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584367362 491583670 /nfs/dbraw/zinc/58/36/70/491583670.db2.gz NGEWSQBWFCWLHB-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584367362 491583674 /nfs/dbraw/zinc/58/36/74/491583674.db2.gz NGEWSQBWFCWLHB-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584367362 491583680 /nfs/dbraw/zinc/58/36/80/491583680.db2.gz NGEWSQBWFCWLHB-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584367362 491583683 /nfs/dbraw/zinc/58/36/83/491583683.db2.gz NGEWSQBWFCWLHB-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000561223848 491585954 /nfs/dbraw/zinc/58/59/54/491585954.db2.gz HFGZKIFNKCASSG-IBGZPJMESA-N 3 2 365.566 0.545 20 0 FCADLP CN(CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000577066537 491586091 /nfs/dbraw/zinc/58/60/91/491586091.db2.gz VQAIGDHMMAKIDP-GJZGRUSLSA-N 2 2 370.457 0.479 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428461 493352820 /nfs/dbraw/zinc/35/28/20/493352820.db2.gz BTSIVKYNUODRIV-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428461 493352822 /nfs/dbraw/zinc/35/28/22/493352822.db2.gz BTSIVKYNUODRIV-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000584413528 491588477 /nfs/dbraw/zinc/58/84/77/491588477.db2.gz YHIYKMKATATXAM-KSSFIOAISA-N 2 2 356.470 0.685 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000577094555 491589463 /nfs/dbraw/zinc/58/94/63/491589463.db2.gz NNVMBURPJKDXPP-UXHICEINSA-N 3 2 372.513 0.931 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000561278825 491592985 /nfs/dbraw/zinc/59/29/85/491592985.db2.gz BISWSNONPIZWNL-GOEBONIOSA-N 2 2 363.458 0.555 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000561278825 491592988 /nfs/dbraw/zinc/59/29/88/491592988.db2.gz BISWSNONPIZWNL-GOEBONIOSA-N 2 2 363.458 0.555 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000561337473 491598256 /nfs/dbraw/zinc/59/82/56/491598256.db2.gz QDDKBORQAGQUQY-JYJNAYRXSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000561337473 491598258 /nfs/dbraw/zinc/59/82/58/491598258.db2.gz QDDKBORQAGQUQY-JYJNAYRXSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000561367928 491602216 /nfs/dbraw/zinc/60/22/16/491602216.db2.gz MMATYQMDMVUPRD-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000568736638 491605027 /nfs/dbraw/zinc/60/50/27/491605027.db2.gz JBLCPGAYSXASTM-KRWDZBQOSA-N 2 2 365.522 0.665 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000568736638 491605030 /nfs/dbraw/zinc/60/50/30/491605030.db2.gz JBLCPGAYSXASTM-KRWDZBQOSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473120 493354850 /nfs/dbraw/zinc/35/48/50/493354850.db2.gz OYSGTHKUUGGBIB-BRWVUGGUSA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473120 493354851 /nfs/dbraw/zinc/35/48/51/493354851.db2.gz OYSGTHKUUGGBIB-BRWVUGGUSA-N 2 2 366.506 0.286 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000577359770 491614710 /nfs/dbraw/zinc/61/47/10/491614710.db2.gz XQGOTDWEEIYZOS-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000577359770 491614712 /nfs/dbraw/zinc/61/47/12/491614712.db2.gz XQGOTDWEEIYZOS-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000577359770 491614715 /nfs/dbraw/zinc/61/47/15/491614715.db2.gz XQGOTDWEEIYZOS-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000576456025 491616360 /nfs/dbraw/zinc/61/63/60/491616360.db2.gz QNZCGYPGPHNINL-KSZLIROESA-N 2 2 354.539 0.421 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000576456025 491616363 /nfs/dbraw/zinc/61/63/63/491616363.db2.gz QNZCGYPGPHNINL-KSZLIROESA-N 2 2 354.539 0.421 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000568976953 491623548 /nfs/dbraw/zinc/62/35/48/491623548.db2.gz XEPYWJQYUYDNDU-DLBZAZTESA-N 2 2 373.501 0.182 20 0 FCADLP O=C(C[NH2+][C@@H](CO)C1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000569026501 491628389 /nfs/dbraw/zinc/62/83/89/491628389.db2.gz BQSIKUHVLQHMSU-IBGZPJMESA-N 2 2 361.486 0.708 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000576602897 491628582 /nfs/dbraw/zinc/62/85/82/491628582.db2.gz OMSMBIWMYYPZMW-ZIAGYGMSSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000576602897 491628584 /nfs/dbraw/zinc/62/85/84/491628584.db2.gz OMSMBIWMYYPZMW-ZIAGYGMSSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000576626684 491631109 /nfs/dbraw/zinc/63/11/09/491631109.db2.gz FGIKPDHTQGDDGE-NJAFHUGGSA-N 2 2 371.485 0.497 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000561812765 491631992 /nfs/dbraw/zinc/63/19/92/491631992.db2.gz KLPMCVZSVBQWCJ-QWHCGFSZSA-N 2 2 350.467 0.043 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1C ZINC000561812765 491631996 /nfs/dbraw/zinc/63/19/96/491631996.db2.gz KLPMCVZSVBQWCJ-QWHCGFSZSA-N 2 2 350.467 0.043 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000569105930 491633889 /nfs/dbraw/zinc/63/38/89/491633889.db2.gz DIGYLKPQSVAFAA-AWEZNQCLSA-N 2 2 350.488 0.460 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000569146267 491638241 /nfs/dbraw/zinc/63/82/41/491638241.db2.gz ORGVETCBAIFNRY-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577752534 491649399 /nfs/dbraw/zinc/64/93/99/491649399.db2.gz ARPZKKVTLWHIML-AGIUHOORSA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577752534 491649403 /nfs/dbraw/zinc/64/94/03/491649403.db2.gz ARPZKKVTLWHIML-AGIUHOORSA-N 2 2 352.460 0.202 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000569325955 491652550 /nfs/dbraw/zinc/65/25/50/491652550.db2.gz QFOVRFOGFKFZLP-HZPDHXFCSA-N 2 2 374.489 0.312 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000576880582 491653749 /nfs/dbraw/zinc/65/37/49/491653749.db2.gz RFTAWQXUYOAOTJ-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCNC2=O)c1)[C@H]1CCNC1=O ZINC000577824043 491654390 /nfs/dbraw/zinc/65/43/90/491654390.db2.gz SFULVIGBYLMLOE-HOTGVXAUSA-N 2 2 364.877 0.981 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCNC2=O)c1)[C@H]1CCNC1=O ZINC000577824043 491654392 /nfs/dbraw/zinc/65/43/92/491654392.db2.gz SFULVIGBYLMLOE-HOTGVXAUSA-N 2 2 364.877 0.981 20 0 FCADLP CSC1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000578053675 491668834 /nfs/dbraw/zinc/66/88/34/491668834.db2.gz UVXUGLDSQLOLRE-UHFFFAOYSA-N 2 2 365.565 0.456 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[C@@]1(C)C[NH3+] ZINC000578052129 491668852 /nfs/dbraw/zinc/66/88/52/491668852.db2.gz OAVIJBIBWJMHBY-HBUWYVDXSA-N 2 2 362.478 0.537 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000578256011 491673388 /nfs/dbraw/zinc/67/33/88/491673388.db2.gz NUEGUXJMCUKHAY-MRXNPFEDSA-N 2 2 356.511 0.258 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000578256011 491673389 /nfs/dbraw/zinc/67/33/89/491673389.db2.gz NUEGUXJMCUKHAY-MRXNPFEDSA-N 2 2 356.511 0.258 20 0 FCADLP C[C@H](NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]1 ZINC000578313944 491674363 /nfs/dbraw/zinc/67/43/63/491674363.db2.gz DCDWQMMTOJALAP-JKSUJKDBSA-N 2 2 367.519 0.264 20 0 FCADLP COc1ccc(-n2ccc(CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])n2)cc1 ZINC000578334904 491675008 /nfs/dbraw/zinc/67/50/08/491675008.db2.gz YQZGNCYIWXOUBN-INIZCTEOSA-N 2 2 358.446 0.665 20 0 FCADLP COc1ccc(-n2ccc(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])n2)cc1 ZINC000578334904 491675009 /nfs/dbraw/zinc/67/50/09/491675009.db2.gz YQZGNCYIWXOUBN-INIZCTEOSA-N 2 2 358.446 0.665 20 0 FCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000578459810 491677688 /nfs/dbraw/zinc/67/76/88/491677688.db2.gz GEYCWXFSYPBSSX-JKSUJKDBSA-N 2 2 363.462 0.101 20 0 FCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000578459810 491677689 /nfs/dbraw/zinc/67/76/89/491677689.db2.gz GEYCWXFSYPBSSX-JKSUJKDBSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000578730429 491682949 /nfs/dbraw/zinc/68/29/49/491682949.db2.gz BAABRKDDOGVMMP-ZBFHGGJFSA-N 2 2 365.522 0.759 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000578860177 491685902 /nfs/dbraw/zinc/68/59/02/491685902.db2.gz NYLBCYFGYZAXFE-DZKIICNBSA-N 2 2 371.503 0.154 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000578981034 491688158 /nfs/dbraw/zinc/68/81/58/491688158.db2.gz AYMOEGMDEUYVDG-MWDXBVQZSA-N 2 2 366.506 0.380 20 0 FCADLP O[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000578988599 491688465 /nfs/dbraw/zinc/68/84/65/491688465.db2.gz OSYBDRIUIOXCHK-MOPGFXCFSA-N 2 2 364.486 0.552 20 0 FCADLP O[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)C[N@H+]1CCc2ccccc2C1 ZINC000578988599 491688466 /nfs/dbraw/zinc/68/84/66/491688466.db2.gz OSYBDRIUIOXCHK-MOPGFXCFSA-N 2 2 364.486 0.552 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1C)[NH+](C)C ZINC000579012432 491689191 /nfs/dbraw/zinc/68/91/91/491689191.db2.gz UOOGUDRNEZRSHI-MRXNPFEDSA-N 2 2 373.457 0.735 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253190 491694191 /nfs/dbraw/zinc/69/41/91/491694191.db2.gz LBXLKBHFWXAPSQ-XJKSGUPXSA-N 2 2 367.453 0.296 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254195 491694210 /nfs/dbraw/zinc/69/42/10/491694210.db2.gz AKLAGMKDFIASLN-HUUCEWRRSA-N 2 2 355.483 0.597 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254195 491694211 /nfs/dbraw/zinc/69/42/11/491694211.db2.gz AKLAGMKDFIASLN-HUUCEWRRSA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254195 491694212 /nfs/dbraw/zinc/69/42/12/491694212.db2.gz AKLAGMKDFIASLN-HUUCEWRRSA-N 2 2 355.483 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000579254195 491694213 /nfs/dbraw/zinc/69/42/13/491694213.db2.gz AKLAGMKDFIASLN-HUUCEWRRSA-N 2 2 355.483 0.597 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000579277676 491694629 /nfs/dbraw/zinc/69/46/29/491694629.db2.gz NFWVMYQCKXLIDY-HNNXBMFYSA-N 2 2 364.494 0.463 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000579277676 491694630 /nfs/dbraw/zinc/69/46/30/491694630.db2.gz NFWVMYQCKXLIDY-HNNXBMFYSA-N 2 2 364.494 0.463 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H](C)O1 ZINC000579345818 491695980 /nfs/dbraw/zinc/69/59/80/491695980.db2.gz PCQPUZTVZYHYET-XMTFNYHQSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H](C)O1 ZINC000579345818 491695981 /nfs/dbraw/zinc/69/59/81/491695981.db2.gz PCQPUZTVZYHYET-XMTFNYHQSA-N 2 2 368.522 0.726 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000579364524 491696545 /nfs/dbraw/zinc/69/65/45/491696545.db2.gz LURBQKVNLHYJDF-HUUCEWRRSA-N 2 2 361.490 0.819 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000579364524 491696546 /nfs/dbraw/zinc/69/65/46/491696546.db2.gz LURBQKVNLHYJDF-HUUCEWRRSA-N 2 2 361.490 0.819 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000579382813 491696949 /nfs/dbraw/zinc/69/69/49/491696949.db2.gz SRWBATXWDCBPBX-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000579382813 491696950 /nfs/dbraw/zinc/69/69/50/491696950.db2.gz SRWBATXWDCBPBX-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609042 491701460 /nfs/dbraw/zinc/70/14/60/491701460.db2.gz LWPCLEPVMYEIDW-MAUKXSAKSA-N 2 2 374.485 0.587 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609042 491701461 /nfs/dbraw/zinc/70/14/61/491701461.db2.gz LWPCLEPVMYEIDW-MAUKXSAKSA-N 2 2 374.485 0.587 20 0 FCADLP COc1ccc(CCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000579691920 491703047 /nfs/dbraw/zinc/70/30/47/491703047.db2.gz YULBGPQKPSZJEC-OAHLLOKOSA-N 2 2 350.463 0.921 20 0 FCADLP COc1ccc(CCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000579691920 491703048 /nfs/dbraw/zinc/70/30/48/491703048.db2.gz YULBGPQKPSZJEC-OAHLLOKOSA-N 2 2 350.463 0.921 20 0 FCADLP O=C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCN(c2ccccc2)CC1 ZINC000579701194 491703218 /nfs/dbraw/zinc/70/32/18/491703218.db2.gz LJBXSXKLNYLPOK-ICSRJNTNSA-N 2 2 358.486 0.692 20 0 FCADLP CC1(C(=O)N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C[NH2+]C1 ZINC000579702114 491703348 /nfs/dbraw/zinc/70/33/48/491703348.db2.gz YSRSTZUXXJLWPO-GOSISDBHSA-N 2 2 370.497 0.931 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000579743884 491704456 /nfs/dbraw/zinc/70/44/56/491704456.db2.gz NFOCMLJZRCJMPY-LLVKDONJSA-N 2 2 373.379 0.757 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000579743884 491704457 /nfs/dbraw/zinc/70/44/57/491704457.db2.gz NFOCMLJZRCJMPY-LLVKDONJSA-N 2 2 373.379 0.757 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000579868486 491707347 /nfs/dbraw/zinc/70/73/47/491707347.db2.gz RMZFLYWOIHGCFO-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579935487 491709622 /nfs/dbraw/zinc/70/96/22/491709622.db2.gz VQUKYBKQRJHFFV-LSDHHAIUSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579935487 491709623 /nfs/dbraw/zinc/70/96/23/491709623.db2.gz VQUKYBKQRJHFFV-LSDHHAIUSA-N 2 2 365.865 0.730 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580002954 491713506 /nfs/dbraw/zinc/71/35/06/491713506.db2.gz YOBFIBAKBVNDMY-IAOVAPTHSA-N 2 2 358.442 0.660 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000580002954 491713508 /nfs/dbraw/zinc/71/35/08/491713508.db2.gz YOBFIBAKBVNDMY-IAOVAPTHSA-N 2 2 358.442 0.660 20 0 FCADLP COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000580074069 491716141 /nfs/dbraw/zinc/71/61/41/491716141.db2.gz CIISZVNZPNZLQX-CIRFHOKZSA-N 2 2 352.475 0.831 20 0 FCADLP COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000580074069 491716143 /nfs/dbraw/zinc/71/61/43/491716143.db2.gz CIISZVNZPNZLQX-CIRFHOKZSA-N 2 2 352.475 0.831 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091138 491717096 /nfs/dbraw/zinc/71/70/96/491717096.db2.gz QVFVHEUOIDTSPI-QFBILLFUSA-N 2 2 360.502 0.947 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091138 491717097 /nfs/dbraw/zinc/71/70/97/491717097.db2.gz QVFVHEUOIDTSPI-QFBILLFUSA-N 3 2 360.502 0.947 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000580091138 491717098 /nfs/dbraw/zinc/71/70/98/491717098.db2.gz QVFVHEUOIDTSPI-QFBILLFUSA-N 3 2 360.502 0.947 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H](C)[NH3+] ZINC000580184081 491720552 /nfs/dbraw/zinc/72/05/52/491720552.db2.gz ZQJOPGWOQFDFJT-QLFBSQMISA-N 2 2 362.478 0.382 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H](C)[NH3+] ZINC000580184081 491720554 /nfs/dbraw/zinc/72/05/54/491720554.db2.gz ZQJOPGWOQFDFJT-QLFBSQMISA-N 2 2 362.478 0.382 20 0 FCADLP CSCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000585705650 491723147 /nfs/dbraw/zinc/72/31/47/491723147.db2.gz ZDSZZPACRYTIHK-HNNXBMFYSA-N 2 2 356.536 0.483 20 0 FCADLP CSCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000585705650 491723148 /nfs/dbraw/zinc/72/31/48/491723148.db2.gz ZDSZZPACRYTIHK-HNNXBMFYSA-N 2 2 356.536 0.483 20 0 FCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000580596612 491738038 /nfs/dbraw/zinc/73/80/38/491738038.db2.gz BCULDJPSDKNYRJ-OAHLLOKOSA-N 2 2 355.508 0.898 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000580769419 491744745 /nfs/dbraw/zinc/74/47/45/491744745.db2.gz PFFMMRPQTZOJKE-ZWKOTPCHSA-N 2 2 351.491 0.451 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000580769419 491744746 /nfs/dbraw/zinc/74/47/46/491744746.db2.gz PFFMMRPQTZOJKE-ZWKOTPCHSA-N 2 2 351.491 0.451 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000580799646 491746321 /nfs/dbraw/zinc/74/63/21/491746321.db2.gz CNHFMUQLGWOLOV-HNNXBMFYSA-N 2 2 368.441 0.366 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000588769787 491748549 /nfs/dbraw/zinc/74/85/49/491748549.db2.gz CPKFPIOIRZBFSW-UHFFFAOYSA-N 2 2 350.463 0.907 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588807658 491749846 /nfs/dbraw/zinc/74/98/46/491749846.db2.gz RWDULXPIRSBCFA-ZBFHGGJFSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588807658 491749847 /nfs/dbraw/zinc/74/98/47/491749847.db2.gz RWDULXPIRSBCFA-ZBFHGGJFSA-N 2 2 370.563 0.871 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000581075013 491757962 /nfs/dbraw/zinc/75/79/62/491757962.db2.gz UNDQYWFRVWAPPC-QAPCUYQASA-N 2 2 364.465 0.912 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000581075013 491757963 /nfs/dbraw/zinc/75/79/63/491757963.db2.gz UNDQYWFRVWAPPC-QAPCUYQASA-N 2 2 364.465 0.912 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)C[C@@H](C)O1 ZINC000581126279 491760257 /nfs/dbraw/zinc/76/02/57/491760257.db2.gz BAUCLNNDUYDPHL-OAGGEKHMSA-N 2 2 371.503 0.025 20 0 FCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000581195483 491763551 /nfs/dbraw/zinc/76/35/51/491763551.db2.gz LYGLMYWIUCNEKI-LJQANCHMSA-N 2 2 367.490 0.800 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000581195483 491763553 /nfs/dbraw/zinc/76/35/53/491763553.db2.gz LYGLMYWIUCNEKI-LJQANCHMSA-N 2 2 367.490 0.800 20 0 FCADLP CNC(=O)CC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000590059827 491769116 /nfs/dbraw/zinc/76/91/16/491769116.db2.gz PHIHEQTVUJAHCM-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP CNC(=O)CC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000590059827 491769118 /nfs/dbraw/zinc/76/91/18/491769118.db2.gz PHIHEQTVUJAHCM-UHFFFAOYSA-N 2 2 362.474 0.203 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000581635597 491780998 /nfs/dbraw/zinc/78/09/98/491780998.db2.gz MIJMIOFPJNDUPS-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000581635597 491781000 /nfs/dbraw/zinc/78/10/00/491781000.db2.gz MIJMIOFPJNDUPS-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000581635597 491781002 /nfs/dbraw/zinc/78/10/02/491781002.db2.gz MIJMIOFPJNDUPS-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000581635597 491781004 /nfs/dbraw/zinc/78/10/04/491781004.db2.gz MIJMIOFPJNDUPS-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000591218175 491799234 /nfs/dbraw/zinc/79/92/34/491799234.db2.gz CHCORNJEAXBJBW-IJEWVQPXSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000591218175 491799235 /nfs/dbraw/zinc/79/92/35/491799235.db2.gz CHCORNJEAXBJBW-IJEWVQPXSA-N 2 2 352.479 0.748 20 0 FCADLP O=C(CC[NH2+]C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000582132789 491799454 /nfs/dbraw/zinc/79/94/54/491799454.db2.gz YLWZTBNRAXOQED-INIZCTEOSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(CC[NH2+]C1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000582132789 491799456 /nfs/dbraw/zinc/79/94/56/491799456.db2.gz YLWZTBNRAXOQED-INIZCTEOSA-N 2 2 374.489 0.540 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537734 491816914 /nfs/dbraw/zinc/81/69/14/491816914.db2.gz CMZCGFWXJPAVCF-GJZGRUSLSA-N 2 2 363.462 0.022 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000582537734 491816915 /nfs/dbraw/zinc/81/69/15/491816915.db2.gz CMZCGFWXJPAVCF-GJZGRUSLSA-N 2 2 363.462 0.022 20 0 FCADLP CCS(=O)(=O)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000582665433 491821773 /nfs/dbraw/zinc/82/17/73/491821773.db2.gz CLMHNUZZZJTPJG-UHFFFAOYSA-N 2 2 353.488 0.531 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000582679807 491822547 /nfs/dbraw/zinc/82/25/47/491822547.db2.gz RRUOXOLTONESIS-UHFFFAOYSA-N 2 2 352.398 0.561 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000582720421 491824020 /nfs/dbraw/zinc/82/40/20/491824020.db2.gz MGQGNZCXRXYPPT-QGZVFWFLSA-N 2 2 361.490 0.410 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000582720421 491824022 /nfs/dbraw/zinc/82/40/22/491824022.db2.gz MGQGNZCXRXYPPT-QGZVFWFLSA-N 2 2 361.490 0.410 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000582722328 491824045 /nfs/dbraw/zinc/82/40/45/491824045.db2.gz CUGIFRQABSCNCN-ZWKOTPCHSA-N 2 2 374.485 0.353 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000582727871 491824089 /nfs/dbraw/zinc/82/40/89/491824089.db2.gz QWQDAKIFMABMHT-JZXOWHBKSA-N 2 2 368.522 0.355 20 0 FCADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000673837051 493365460 /nfs/dbraw/zinc/36/54/60/493365460.db2.gz CUGJHVHUZOJRDE-ZDUSSCGKSA-N 2 2 360.462 0.875 20 0 FCADLP COCC[N@H+]1CCC[C@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000673837051 493365463 /nfs/dbraw/zinc/36/54/63/493365463.db2.gz CUGJHVHUZOJRDE-ZDUSSCGKSA-N 2 2 360.462 0.875 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964604 491834329 /nfs/dbraw/zinc/83/43/29/491834329.db2.gz FDMFYLJOKOHIMK-DLBZAZTESA-N 2 2 371.485 0.904 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964604 491834330 /nfs/dbraw/zinc/83/43/30/491834330.db2.gz FDMFYLJOKOHIMK-DLBZAZTESA-N 2 2 371.485 0.904 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964609 491834505 /nfs/dbraw/zinc/83/45/05/491834505.db2.gz FDMFYLJOKOHIMK-IRXDYDNUSA-N 2 2 371.485 0.904 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964609 491834506 /nfs/dbraw/zinc/83/45/06/491834506.db2.gz FDMFYLJOKOHIMK-IRXDYDNUSA-N 2 2 371.485 0.904 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2CC[NH2+]CC2)cn1 ZINC000583014337 491836146 /nfs/dbraw/zinc/83/61/46/491836146.db2.gz UITRDAWDKUYMDX-HOTGVXAUSA-N 2 2 352.458 0.631 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2CC[NH2+]CC2)cn1 ZINC000583014337 491836148 /nfs/dbraw/zinc/83/61/48/491836148.db2.gz UITRDAWDKUYMDX-HOTGVXAUSA-N 2 2 352.458 0.631 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)[C@H](C[NH3+])C1 ZINC000583142830 491838994 /nfs/dbraw/zinc/83/89/94/491838994.db2.gz KZDVBRWUDHBYDA-CQSZACIVSA-N 2 2 357.414 0.173 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)[C@H](C[NH3+])C1 ZINC000583142830 491838995 /nfs/dbraw/zinc/83/89/95/491838995.db2.gz KZDVBRWUDHBYDA-CQSZACIVSA-N 2 2 357.414 0.173 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)ccn2)CC1 ZINC000583251069 491840924 /nfs/dbraw/zinc/84/09/24/491840924.db2.gz UCKQPXXRKSLJAP-HNNXBMFYSA-N 2 2 374.489 0.980 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000583327466 491842425 /nfs/dbraw/zinc/84/24/25/491842425.db2.gz PDBASOFEGQQACX-LJQANCHMSA-N 3 2 350.507 0.719 20 0 FCADLP Cn1cc([C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371092 491843465 /nfs/dbraw/zinc/84/34/65/491843465.db2.gz ZLKAZFOKXCMLRS-DLBZAZTESA-N 2 2 360.437 0.933 20 0 FCADLP Cn1cc([C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371092 491843466 /nfs/dbraw/zinc/84/34/66/491843466.db2.gz ZLKAZFOKXCMLRS-DLBZAZTESA-N 2 2 360.437 0.933 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000583371056 491843543 /nfs/dbraw/zinc/84/35/43/491843543.db2.gz VEXJQTUVFPYUQH-RDJZCZTQSA-N 2 2 365.522 0.842 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000583441275 491845060 /nfs/dbraw/zinc/84/50/60/491845060.db2.gz UUDDQNLVUOHSFN-LSDHHAIUSA-N 2 2 360.458 0.633 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000583441275 491845061 /nfs/dbraw/zinc/84/50/61/491845061.db2.gz UUDDQNLVUOHSFN-LSDHHAIUSA-N 2 2 360.458 0.633 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000583493961 491845969 /nfs/dbraw/zinc/84/59/69/491845969.db2.gz UYBFASJKIFSMBN-RTBURBONSA-N 2 2 370.497 0.707 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C[NH+]1CCOCC1 ZINC000583516049 491846767 /nfs/dbraw/zinc/84/67/67/491846767.db2.gz JPFKVZFIZOCARU-OAHLLOKOSA-N 2 2 363.462 0.131 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CO)[C@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587972 491848192 /nfs/dbraw/zinc/84/81/92/491848192.db2.gz KBZWTYVKTSGWIS-HZPDHXFCSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587972 491848193 /nfs/dbraw/zinc/84/81/93/491848193.db2.gz KBZWTYVKTSGWIS-HZPDHXFCSA-N 2 2 353.488 0.067 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCOCC1 ZINC000583674883 491849775 /nfs/dbraw/zinc/84/97/75/491849775.db2.gz GHMDXJKKITYDQA-BBWFWOEESA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCOCC1 ZINC000583674883 491849776 /nfs/dbraw/zinc/84/97/76/491849776.db2.gz GHMDXJKKITYDQA-BBWFWOEESA-N 2 2 353.507 0.839 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668504916 493366464 /nfs/dbraw/zinc/36/64/64/493366464.db2.gz WFOQWMLZWPKKFK-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668504916 493366465 /nfs/dbraw/zinc/36/64/65/493366465.db2.gz WFOQWMLZWPKKFK-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000583761301 491851529 /nfs/dbraw/zinc/85/15/29/491851529.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@@H](O)C[N@H+](C)CC)C[C@@H]1C ZINC000583761301 491851530 /nfs/dbraw/zinc/85/15/30/491851530.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761301 491851531 /nfs/dbraw/zinc/85/15/31/491851531.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)CN1C[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761301 491851532 /nfs/dbraw/zinc/85/15/32/491851532.db2.gz NELXGHKYUKQQLC-BZSNNMDCSA-N 3 2 358.571 0.396 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802434 491852143 /nfs/dbraw/zinc/85/21/43/491852143.db2.gz IIOFXCAKYTUDAJ-YYIAUSFCSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000583809757 491852533 /nfs/dbraw/zinc/85/25/33/491852533.db2.gz CLZNSDNQQPXXJV-QGZVFWFLSA-N 2 2 370.457 0.969 20 0 FCADLP COc1ccc(COCCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000583920855 491854686 /nfs/dbraw/zinc/85/46/86/491854686.db2.gz PAXCIZWLDRCQMT-INIZCTEOSA-N 2 2 350.463 0.886 20 0 FCADLP COc1ccc(COCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000583920855 491854687 /nfs/dbraw/zinc/85/46/87/491854687.db2.gz PAXCIZWLDRCQMT-INIZCTEOSA-N 2 2 350.463 0.886 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)nn1 ZINC000583932537 491855047 /nfs/dbraw/zinc/85/50/47/491855047.db2.gz UXFXGSATQQMUMT-MRXNPFEDSA-N 2 2 358.446 0.430 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)[C@H]3CCCOC3)CC2)CC1 ZINC000584110472 491858787 /nfs/dbraw/zinc/85/87/87/491858787.db2.gz DWNVKUMYQAALTH-KRWDZBQOSA-N 2 2 359.536 0.987 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)[C@H]3CCCOC3)CC2)CC1 ZINC000584110472 491858788 /nfs/dbraw/zinc/85/87/88/491858788.db2.gz DWNVKUMYQAALTH-KRWDZBQOSA-N 2 2 359.536 0.987 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC000584126514 491859167 /nfs/dbraw/zinc/85/91/67/491859167.db2.gz KJUMHAGGGADVCE-QLFBSQMISA-N 2 2 350.463 0.940 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC000584126514 491859168 /nfs/dbraw/zinc/85/91/68/491859168.db2.gz KJUMHAGGGADVCE-QLFBSQMISA-N 2 2 350.463 0.940 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000584147157 491859547 /nfs/dbraw/zinc/85/95/47/491859547.db2.gz PCPWIXOQTOFGRL-JXFKEZNVSA-N 2 2 371.485 0.721 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC000584285736 491862258 /nfs/dbraw/zinc/86/22/58/491862258.db2.gz JAVLHDZAHGYWNS-BPKGMFCQSA-N 2 2 359.474 0.878 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000584288902 491862280 /nfs/dbraw/zinc/86/22/80/491862280.db2.gz KIHVLOCRQZBCMY-CQSZACIVSA-N 2 2 351.476 0.046 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000584288902 491862281 /nfs/dbraw/zinc/86/22/81/491862281.db2.gz KIHVLOCRQZBCMY-CQSZACIVSA-N 2 2 351.476 0.046 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584341257 491863223 /nfs/dbraw/zinc/86/32/23/491863223.db2.gz UCIRJCXEEYEPHJ-VVLHAWIVSA-N 2 2 366.506 0.474 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875482 491869421 /nfs/dbraw/zinc/86/94/21/491869421.db2.gz ILQYKASCHNKQGE-KURKYZTESA-N 2 2 356.470 0.984 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875482 491869422 /nfs/dbraw/zinc/86/94/22/491869422.db2.gz ILQYKASCHNKQGE-KURKYZTESA-N 2 2 356.470 0.984 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842176 491886640 /nfs/dbraw/zinc/88/66/40/491886640.db2.gz NADGPRWQSSRTDJ-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842176 491886641 /nfs/dbraw/zinc/88/66/41/491886641.db2.gz NADGPRWQSSRTDJ-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000600842176 491886642 /nfs/dbraw/zinc/88/66/42/491886642.db2.gz NADGPRWQSSRTDJ-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+]1CCOCC1 ZINC000600842176 491886643 /nfs/dbraw/zinc/88/66/43/491886643.db2.gz NADGPRWQSSRTDJ-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)CC1 ZINC000611975157 491887355 /nfs/dbraw/zinc/88/73/55/491887355.db2.gz XJRRWLLVEPMFPI-BBWFWOEESA-N 2 2 350.507 0.824 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)CCN2C1=O ZINC000600947399 491890005 /nfs/dbraw/zinc/89/00/05/491890005.db2.gz LLSVDQWSRJHKMR-JKSUJKDBSA-N 2 2 350.426 0.745 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000601293933 491902194 /nfs/dbraw/zinc/90/21/94/491902194.db2.gz MGWRXJQUONSLJK-AESZEHBQSA-N 2 2 362.474 0.948 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000601293933 491902197 /nfs/dbraw/zinc/90/21/97/491902197.db2.gz MGWRXJQUONSLJK-AESZEHBQSA-N 2 2 362.474 0.948 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000612231490 491906253 /nfs/dbraw/zinc/90/62/53/491906253.db2.gz LNSYQQWFXGDGKF-UHFFFAOYSA-N 2 2 373.501 0.574 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCN2C1=O ZINC000595265798 491909205 /nfs/dbraw/zinc/90/92/05/491909205.db2.gz HLRWWJRUADTGKN-CVEARBPZSA-N 2 2 372.473 0.525 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](NC(=O)Cn1cc[nH+]c1C)C(F)(F)F ZINC000612465102 491921766 /nfs/dbraw/zinc/92/17/66/491921766.db2.gz NFFNZRNRXDJXST-GFCCVEGCSA-N 2 2 372.351 0.560 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000612484477 491924476 /nfs/dbraw/zinc/92/44/76/491924476.db2.gz AUBNOLLCMSCSFF-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000612484477 491924478 /nfs/dbraw/zinc/92/44/78/491924478.db2.gz AUBNOLLCMSCSFF-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000612484341 491924487 /nfs/dbraw/zinc/92/44/87/491924487.db2.gz ASPDBTARQLGFEU-CVEARBPZSA-N 2 2 361.490 0.973 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000595406371 491929717 /nfs/dbraw/zinc/92/97/17/491929717.db2.gz CXQJXNDAPXQKIO-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000595406371 491929719 /nfs/dbraw/zinc/92/97/19/491929719.db2.gz CXQJXNDAPXQKIO-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000612547045 491932069 /nfs/dbraw/zinc/93/20/69/491932069.db2.gz YNJWJOLVOINXPM-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000612547045 491932071 /nfs/dbraw/zinc/93/20/71/491932071.db2.gz YNJWJOLVOINXPM-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC000595469429 491933765 /nfs/dbraw/zinc/93/37/65/491933765.db2.gz HFYRFFDGHURFDG-LBPRGKRZSA-N 2 2 366.384 0.561 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC000595469429 491933766 /nfs/dbraw/zinc/93/37/66/491933766.db2.gz HFYRFFDGHURFDG-LBPRGKRZSA-N 2 2 366.384 0.561 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471862 491934434 /nfs/dbraw/zinc/93/44/34/491934434.db2.gz FQPWJFRCZLTUHY-HOTGVXAUSA-N 2 2 353.463 0.337 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000595471862 491934437 /nfs/dbraw/zinc/93/44/37/491934437.db2.gz FQPWJFRCZLTUHY-HOTGVXAUSA-N 2 2 353.463 0.337 20 0 FCADLP C[C@]1(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000612876874 491956703 /nfs/dbraw/zinc/95/67/03/491956703.db2.gz ZMZWXIYRZRQBFZ-SFHVURJKSA-N 2 2 360.462 0.172 20 0 FCADLP C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602194407 491966616 /nfs/dbraw/zinc/96/66/16/491966616.db2.gz KNNNQDWLMZZUFH-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602194407 491966619 /nfs/dbraw/zinc/96/66/19/491966619.db2.gz KNNNQDWLMZZUFH-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202726 491967989 /nfs/dbraw/zinc/96/79/89/491967989.db2.gz QQJFAELLVRCXFF-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202726 491967991 /nfs/dbraw/zinc/96/79/91/491967991.db2.gz QQJFAELLVRCXFF-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP [NH3+]C[C@H]1CCCn2ncc(C(=O)N(CC[NH+]3CCOCC3)CC3CC3)c21 ZINC000595986486 491969102 /nfs/dbraw/zinc/96/91/02/491969102.db2.gz JUBCTFLRLGCGNF-MRXNPFEDSA-N 2 2 361.490 0.904 20 0 FCADLP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000613310458 491977291 /nfs/dbraw/zinc/97/72/91/491977291.db2.gz WITZWPFOLULGFT-SFHVURJKSA-N 2 2 359.518 0.561 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000613362442 491978771 /nfs/dbraw/zinc/97/87/71/491978771.db2.gz QSCUATDNHYXOAG-LJQANCHMSA-N 3 2 360.502 0.621 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000613362442 491978773 /nfs/dbraw/zinc/97/87/73/491978773.db2.gz QSCUATDNHYXOAG-LJQANCHMSA-N 2 2 360.502 0.621 20 0 FCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000613555313 491986246 /nfs/dbraw/zinc/98/62/46/491986246.db2.gz KWFHDRSSCQHIFC-ROUUACIJSA-N 2 2 356.470 0.576 20 0 FCADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000602593092 491993566 /nfs/dbraw/zinc/99/35/66/491993566.db2.gz IEILWQZTQBKHQE-OAHLLOKOSA-N 2 2 364.446 0.214 20 0 FCADLP COC(=O)[C@H](O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602795958 491998482 /nfs/dbraw/zinc/99/84/82/491998482.db2.gz ISSFPQCIVLSXRY-QUCCMNQESA-N 2 2 362.470 0.869 20 0 FCADLP COC(=O)[C@H](O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602795958 491998484 /nfs/dbraw/zinc/99/84/84/491998484.db2.gz ISSFPQCIVLSXRY-QUCCMNQESA-N 2 2 362.470 0.869 20 0 FCADLP COC(=O)[C@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000596958030 492006665 /nfs/dbraw/zinc/00/66/65/492006665.db2.gz CHCORNJEAXBJBW-DZKIICNBSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000596958030 492006666 /nfs/dbraw/zinc/00/66/66/492006666.db2.gz CHCORNJEAXBJBW-DZKIICNBSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)c1cnn(C)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000603028628 492012856 /nfs/dbraw/zinc/01/28/56/492012856.db2.gz VFJDILHYBNFCDD-UHFFFAOYSA-N 2 2 366.466 0.696 20 0 FCADLP COC(=O)c1cnn(C)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000603028628 492012859 /nfs/dbraw/zinc/01/28/59/492012859.db2.gz VFJDILHYBNFCDD-UHFFFAOYSA-N 2 2 366.466 0.696 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)n1 ZINC000614468286 492032017 /nfs/dbraw/zinc/03/20/17/492032017.db2.gz OUBFHBKICDQQQZ-UHFFFAOYSA-N 2 2 361.450 0.744 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000597482911 492041108 /nfs/dbraw/zinc/04/11/08/492041108.db2.gz VULNVTCVBADXOM-CYBMUJFWSA-N 2 2 350.419 0.238 20 0 FCADLP O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815099 492042810 /nfs/dbraw/zinc/04/28/10/492042810.db2.gz PDFWQARLCBYPON-PZJWPPBQSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000603815099 492042811 /nfs/dbraw/zinc/04/28/11/492042811.db2.gz PDFWQARLCBYPON-PZJWPPBQSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000603910301 492047239 /nfs/dbraw/zinc/04/72/39/492047239.db2.gz NHXZIFAYVKVUDB-STQMWFEESA-N 2 2 360.414 0.647 20 0 FCADLP CC(=O)NC1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604187953 492053733 /nfs/dbraw/zinc/05/37/33/492053733.db2.gz OIILZGPDVVEWDR-JCYILVPMSA-N 2 2 365.522 0.901 20 0 FCADLP CC(=O)NC1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604187953 492053734 /nfs/dbraw/zinc/05/37/34/492053734.db2.gz OIILZGPDVVEWDR-JCYILVPMSA-N 2 2 365.522 0.901 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCOC3)C2)CC1 ZINC000604196158 492054567 /nfs/dbraw/zinc/05/45/67/492054567.db2.gz DAUPIWWLHDFXRO-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOC[C@H]3CCOC3)C2)CC1 ZINC000604196158 492054569 /nfs/dbraw/zinc/05/45/69/492054569.db2.gz DAUPIWWLHDFXRO-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000604209657 492054742 /nfs/dbraw/zinc/05/47/42/492054742.db2.gz WSMCUDLEIWCPSW-MRXNPFEDSA-N 2 2 363.506 0.419 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000604209657 492054744 /nfs/dbraw/zinc/05/47/44/492054744.db2.gz WSMCUDLEIWCPSW-MRXNPFEDSA-N 2 2 363.506 0.419 20 0 FCADLP CC(=O)N(C)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209658 492055067 /nfs/dbraw/zinc/05/50/67/492055067.db2.gz WTNBQIANZOYOLK-INIZCTEOSA-N 2 2 365.522 0.807 20 0 FCADLP CC(=O)N(C)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604209658 492055069 /nfs/dbraw/zinc/05/50/69/492055069.db2.gz WTNBQIANZOYOLK-INIZCTEOSA-N 2 2 365.522 0.807 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648923 492066216 /nfs/dbraw/zinc/06/62/16/492066216.db2.gz CPVWBQPSMKTRBT-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648923 492066218 /nfs/dbraw/zinc/06/62/18/492066218.db2.gz CPVWBQPSMKTRBT-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648923 492066220 /nfs/dbraw/zinc/06/62/20/492066220.db2.gz CPVWBQPSMKTRBT-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)C1 ZINC000604648923 492066222 /nfs/dbraw/zinc/06/62/22/492066222.db2.gz CPVWBQPSMKTRBT-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCN(c2cccc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)C3)n2)CC1 ZINC000615545213 492093715 /nfs/dbraw/zinc/09/37/15/492093715.db2.gz WJLLBYFVISFLKV-KRWDZBQOSA-N 2 2 373.501 0.770 20 0 FCADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607391029 492145455 /nfs/dbraw/zinc/14/54/55/492145455.db2.gz VMVJVNOUKHQTIQ-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607391029 492145456 /nfs/dbraw/zinc/14/54/56/492145456.db2.gz VMVJVNOUKHQTIQ-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP Cn1cc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000608056731 492164850 /nfs/dbraw/zinc/16/48/50/492164850.db2.gz BACZTVIUISFZSQ-AWEZNQCLSA-N 2 2 358.450 0.200 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599445391 492173652 /nfs/dbraw/zinc/17/36/52/492173652.db2.gz RPYWYNBYBGGFNO-CABCVRRESA-N 2 2 371.551 0.403 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599445391 492173653 /nfs/dbraw/zinc/17/36/53/492173653.db2.gz RPYWYNBYBGGFNO-CABCVRRESA-N 2 2 371.551 0.403 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[NH+]3CCSCC3)ccc2n1C ZINC000608519063 492178879 /nfs/dbraw/zinc/17/88/79/492178879.db2.gz ABICDWCKJHXTEE-UHFFFAOYSA-N 2 2 361.471 0.985 20 0 FCADLP Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000608685872 492186384 /nfs/dbraw/zinc/18/63/84/492186384.db2.gz GWZBQHZRBJFIRT-OAHLLOKOSA-N 2 2 374.489 0.017 20 0 FCADLP Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000608685872 492186386 /nfs/dbraw/zinc/18/63/86/492186386.db2.gz GWZBQHZRBJFIRT-OAHLLOKOSA-N 2 2 374.489 0.017 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000609716535 492219817 /nfs/dbraw/zinc/21/98/17/492219817.db2.gz RELDRXUAYXGTEP-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000609716535 492219819 /nfs/dbraw/zinc/21/98/19/492219819.db2.gz RELDRXUAYXGTEP-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)CC1 ZINC000633865550 492293970 /nfs/dbraw/zinc/29/39/70/492293970.db2.gz WROSDCDZCASHCV-KRWDZBQOSA-N 2 2 373.501 0.682 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)CC1 ZINC000633865550 492293974 /nfs/dbraw/zinc/29/39/74/492293974.db2.gz WROSDCDZCASHCV-KRWDZBQOSA-N 2 2 373.501 0.682 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC000654452677 492306591 /nfs/dbraw/zinc/30/65/91/492306591.db2.gz XLHGBKFORPGAIC-DXCKQFNASA-N 2 2 362.478 0.769 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627474450 492312752 /nfs/dbraw/zinc/31/27/52/492312752.db2.gz OTCJVWVLXCNQRA-HIFRSBDPSA-N 2 2 366.487 0.058 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476156 492313706 /nfs/dbraw/zinc/31/37/06/492313706.db2.gz BKSZDVRWYHSOSF-KBAYOESNSA-N 2 2 358.486 0.628 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476156 492313711 /nfs/dbraw/zinc/31/37/11/492313711.db2.gz BKSZDVRWYHSOSF-KBAYOESNSA-N 2 2 358.486 0.628 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627482132 492316948 /nfs/dbraw/zinc/31/69/48/492316948.db2.gz MQEIZLIIWCUSPA-LZLYRXPVSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627482132 492316950 /nfs/dbraw/zinc/31/69/50/492316950.db2.gz MQEIZLIIWCUSPA-LZLYRXPVSA-N 2 2 358.486 0.976 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568732 492317606 /nfs/dbraw/zinc/31/76/06/492317606.db2.gz SGJLXGZYDRAQFB-MRXNPFEDSA-N 2 2 374.489 0.376 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568732 492317610 /nfs/dbraw/zinc/31/76/10/492317610.db2.gz SGJLXGZYDRAQFB-MRXNPFEDSA-N 2 2 374.489 0.376 20 0 FCADLP CC[NH+](CC)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000641936071 492323498 /nfs/dbraw/zinc/32/34/98/492323498.db2.gz JKZRTLHIJVLBIF-UHFFFAOYSA-N 2 2 355.508 0.771 20 0 FCADLP COCCn1nc(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)ccc1=O ZINC000634197368 492326096 /nfs/dbraw/zinc/32/60/96/492326096.db2.gz GHFDPWROAZVXPI-UHFFFAOYSA-N 2 2 372.429 0.289 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cn3nnc4c3CCCC4)c2)CC1 ZINC000634194927 492326414 /nfs/dbraw/zinc/32/64/14/492326414.db2.gz XUSTXFZWIVWWBF-UHFFFAOYSA-N 2 2 355.446 0.942 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3OCC4)C2)CC1 ZINC000627517602 492330318 /nfs/dbraw/zinc/33/03/18/492330318.db2.gz IUMAZMMYBMTPFC-HNNXBMFYSA-N 2 2 372.469 0.845 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3OCC4)C2)CC1 ZINC000627517602 492330321 /nfs/dbraw/zinc/33/03/21/492330321.db2.gz IUMAZMMYBMTPFC-HNNXBMFYSA-N 2 2 372.469 0.845 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642079100 492331962 /nfs/dbraw/zinc/33/19/62/492331962.db2.gz OKECSPLPVDXAOV-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642079100 492331967 /nfs/dbraw/zinc/33/19/67/492331967.db2.gz OKECSPLPVDXAOV-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654729796 492343719 /nfs/dbraw/zinc/34/37/19/492343719.db2.gz JVPBDGNUSWQKBV-ULQDDVLXSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654729796 492343723 /nfs/dbraw/zinc/34/37/23/492343723.db2.gz JVPBDGNUSWQKBV-ULQDDVLXSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000647691689 492346107 /nfs/dbraw/zinc/34/61/07/492346107.db2.gz YUIWWPDPUTYRDB-GJZGRUSLSA-N 2 2 351.451 0.366 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000647691689 492346108 /nfs/dbraw/zinc/34/61/08/492346108.db2.gz YUIWWPDPUTYRDB-GJZGRUSLSA-N 2 2 351.451 0.366 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642257100 492346510 /nfs/dbraw/zinc/34/65/10/492346510.db2.gz URAALPMRMGDNBU-DZGCQCFKSA-N 2 2 362.499 0.433 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642257100 492346512 /nfs/dbraw/zinc/34/65/12/492346512.db2.gz URAALPMRMGDNBU-DZGCQCFKSA-N 2 2 362.499 0.433 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706521 492347316 /nfs/dbraw/zinc/34/73/16/492347316.db2.gz KVFZHZQNDHVTSQ-MSOLQXFVSA-N 2 2 359.470 0.800 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642293958 492348377 /nfs/dbraw/zinc/34/83/77/492348377.db2.gz CENYETXGASQAOG-GDBMZVCRSA-N 2 2 355.442 0.671 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000642337524 492353095 /nfs/dbraw/zinc/35/30/95/492353095.db2.gz XGOPOTMJXHZWKP-QXSJWSMHSA-N 2 2 352.479 0.132 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642519157 492360917 /nfs/dbraw/zinc/36/09/17/492360917.db2.gz SXFWVBMYRWAMQA-HOTGVXAUSA-N 2 2 357.458 0.508 20 0 FCADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257875 492364748 /nfs/dbraw/zinc/36/47/48/492364748.db2.gz OVCDATYBVPXBGH-UONOGXRCSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257875 492364751 /nfs/dbraw/zinc/36/47/51/492364751.db2.gz OVCDATYBVPXBGH-UONOGXRCSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257875 492364753 /nfs/dbraw/zinc/36/47/53/492364753.db2.gz OVCDATYBVPXBGH-UONOGXRCSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257875 492364757 /nfs/dbraw/zinc/36/47/57/492364757.db2.gz OVCDATYBVPXBGH-UONOGXRCSA-N 2 2 359.478 0.917 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000642638857 492368106 /nfs/dbraw/zinc/36/81/06/492368106.db2.gz KVVDOXPXSYGFJE-MRXNPFEDSA-N 2 2 357.458 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)[nH+]c12 ZINC000642638850 492368207 /nfs/dbraw/zinc/36/82/07/492368207.db2.gz KAMLKMCRSVAUAR-ZFWWWQNUSA-N 2 2 373.457 0.531 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC000642638948 492368225 /nfs/dbraw/zinc/36/82/25/492368225.db2.gz XXXGDTNEXRXYNK-LJQANCHMSA-N 2 2 355.442 0.513 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])[nH+]c12 ZINC000642638915 492368456 /nfs/dbraw/zinc/36/84/56/492368456.db2.gz SPPRTFVUADEACC-GOEBONIOSA-N 2 2 357.458 0.935 20 0 FCADLP CNS(=O)(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000621294504 492371459 /nfs/dbraw/zinc/37/14/59/492371459.db2.gz DBILJIPEICPJFY-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP CNS(=O)(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000621294504 492371463 /nfs/dbraw/zinc/37/14/63/492371463.db2.gz DBILJIPEICPJFY-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000647925757 492383661 /nfs/dbraw/zinc/38/36/61/492383661.db2.gz WEOZAIRMGWEQTC-STQMWFEESA-N 2 2 368.503 0.713 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000627794571 492389289 /nfs/dbraw/zinc/38/92/89/492389289.db2.gz HKPRFNAOTPJALW-WBVHZDCISA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000627794571 492389294 /nfs/dbraw/zinc/38/92/94/492389294.db2.gz HKPRFNAOTPJALW-WBVHZDCISA-N 2 2 350.507 0.920 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778870 492389422 /nfs/dbraw/zinc/38/94/22/492389422.db2.gz OLCQPPZKMPVIJO-CABCVRRESA-N 2 2 359.474 0.815 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978796 492390174 /nfs/dbraw/zinc/39/01/74/492390174.db2.gz YGMLSXZDCZVVFW-FXUDXRNXSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978796 492390180 /nfs/dbraw/zinc/39/01/80/492390180.db2.gz YGMLSXZDCZVVFW-FXUDXRNXSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000642906233 492401099 /nfs/dbraw/zinc/40/10/99/492401099.db2.gz ARIVHUNXECZLHI-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000642906233 492401102 /nfs/dbraw/zinc/40/11/02/492401102.db2.gz ARIVHUNXECZLHI-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000642917822 492402794 /nfs/dbraw/zinc/40/27/94/492402794.db2.gz GJPGCWBTMHNTNH-UHFFFAOYSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000642917822 492402798 /nfs/dbraw/zinc/40/27/98/492402798.db2.gz GJPGCWBTMHNTNH-UHFFFAOYSA-N 2 2 362.449 0.728 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000648121580 492402825 /nfs/dbraw/zinc/40/28/25/492402825.db2.gz WZQRURMABRNENG-UHFFFAOYSA-N 2 2 353.488 0.975 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140952 492407356 /nfs/dbraw/zinc/40/73/56/492407356.db2.gz SKVMRRDSJICONT-MRXNPFEDSA-N 2 2 365.499 0.894 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000642966940 492408459 /nfs/dbraw/zinc/40/84/59/492408459.db2.gz VQJRKFPAUIMMAU-UHFFFAOYSA-N 2 2 362.474 0.501 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000655165570 492409106 /nfs/dbraw/zinc/40/91/06/492409106.db2.gz RPXUBWCWKAPOPK-LJQANCHMSA-N 3 2 364.534 0.460 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)CC1 ZINC000655165570 492409110 /nfs/dbraw/zinc/40/91/10/492409110.db2.gz RPXUBWCWKAPOPK-LJQANCHMSA-N 3 2 364.534 0.460 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000642981351 492410583 /nfs/dbraw/zinc/41/05/83/492410583.db2.gz ZCYRFDAAIUUGME-QGZVFWFLSA-N 2 2 374.485 0.468 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000642983137 492411223 /nfs/dbraw/zinc/41/12/23/492411223.db2.gz VHZNMXCNPJWYHO-GOSISDBHSA-N 2 2 372.469 0.229 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000643065156 492417303 /nfs/dbraw/zinc/41/73/03/492417303.db2.gz AZDZHZSHGPMCTQ-CQSZACIVSA-N 2 2 359.430 0.967 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)C2 ZINC000621837460 492420452 /nfs/dbraw/zinc/42/04/52/492420452.db2.gz IPMZGNPLJREKFP-BEFAXECRSA-N 2 2 353.426 0.828 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635264876 492424482 /nfs/dbraw/zinc/42/44/82/492424482.db2.gz QWGVUGPDJNSFRD-UHFFFAOYSA-N 2 2 357.414 0.518 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC000635265522 492424679 /nfs/dbraw/zinc/42/46/79/492424679.db2.gz RPZYBBGNXIPFKZ-UHFFFAOYSA-N 2 2 360.502 0.831 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC000635265522 492424683 /nfs/dbraw/zinc/42/46/83/492424683.db2.gz RPZYBBGNXIPFKZ-UHFFFAOYSA-N 2 2 360.502 0.831 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635265522 492424688 /nfs/dbraw/zinc/42/46/88/492424688.db2.gz RPZYBBGNXIPFKZ-UHFFFAOYSA-N 2 2 360.502 0.831 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635265522 492424691 /nfs/dbraw/zinc/42/46/91/492424691.db2.gz RPZYBBGNXIPFKZ-UHFFFAOYSA-N 2 2 360.502 0.831 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000622025472 492441744 /nfs/dbraw/zinc/44/17/44/492441744.db2.gz QRAJZZOKOOZBJG-CRAIPNDOSA-N 2 2 362.499 0.732 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000622025490 492442039 /nfs/dbraw/zinc/44/20/39/492442039.db2.gz QWWFKUKXYGWXPN-SQGPQFPESA-N 2 2 356.470 0.842 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000622025490 492442043 /nfs/dbraw/zinc/44/20/43/492442043.db2.gz QWWFKUKXYGWXPN-SQGPQFPESA-N 2 2 356.470 0.842 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@]3(C)CCC(=O)N3)CC2)CC1 ZINC000643383799 492444346 /nfs/dbraw/zinc/44/43/46/492444346.db2.gz PQOICESHWAPNPA-LJQANCHMSA-N 2 2 365.522 0.857 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@]3(C)CCC(=O)N3)CC2)CC1 ZINC000643383799 492444350 /nfs/dbraw/zinc/44/43/50/492444350.db2.gz PQOICESHWAPNPA-LJQANCHMSA-N 2 2 365.522 0.857 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000643389443 492445126 /nfs/dbraw/zinc/44/51/26/492445126.db2.gz VIXGLJBOGONPHR-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000643389443 492445131 /nfs/dbraw/zinc/44/51/31/492445131.db2.gz VIXGLJBOGONPHR-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)[C@H]1C ZINC000643397680 492448276 /nfs/dbraw/zinc/44/82/76/492448276.db2.gz INUARRBAQOMLCN-FXUDXRNXSA-N 2 2 350.507 0.774 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)[C@H]1C ZINC000643397680 492448278 /nfs/dbraw/zinc/44/82/78/492448278.db2.gz INUARRBAQOMLCN-FXUDXRNXSA-N 2 2 350.507 0.774 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000643397552 492448370 /nfs/dbraw/zinc/44/83/70/492448370.db2.gz ACCAKNOYNUZRDJ-WBVHZDCISA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000643397552 492448372 /nfs/dbraw/zinc/44/83/72/492448372.db2.gz ACCAKNOYNUZRDJ-WBVHZDCISA-N 2 2 368.522 0.448 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551875 492454853 /nfs/dbraw/zinc/45/48/53/492454853.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551875 492454857 /nfs/dbraw/zinc/45/48/57/492454857.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551875 492454860 /nfs/dbraw/zinc/45/48/60/492454860.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551875 492454864 /nfs/dbraw/zinc/45/48/64/492454864.db2.gz GYNHHBGLMNUXQL-IRXDYDNUSA-N 3 2 367.538 0.301 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421769 492455245 /nfs/dbraw/zinc/45/52/45/492455245.db2.gz IJFCYFMQORWTSG-YCPHGPKFSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421769 492455248 /nfs/dbraw/zinc/45/52/48/492455248.db2.gz IJFCYFMQORWTSG-YCPHGPKFSA-N 2 2 368.547 0.624 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628126059 492472403 /nfs/dbraw/zinc/47/24/03/492472403.db2.gz ZZYITBKBLUXTDO-UHFFFAOYSA-N 2 2 373.501 0.527 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000643476917 492473175 /nfs/dbraw/zinc/47/31/75/492473175.db2.gz DVZUHGXLWOBLQF-NRFANRHFSA-N 2 2 370.497 0.851 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC(=O)N(CC)[C@H]2c2[nH+]ccn2C)C1 ZINC000628133122 492473502 /nfs/dbraw/zinc/47/35/02/492473502.db2.gz UYCDWSGEGQWPQG-NUEKZKHPSA-N 2 2 363.462 0.309 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCC(=O)N(CC)[C@H]2c2[nH+]ccn2C)C1 ZINC000628133122 492473505 /nfs/dbraw/zinc/47/35/05/492473505.db2.gz UYCDWSGEGQWPQG-NUEKZKHPSA-N 2 2 363.462 0.309 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000643477877 492474159 /nfs/dbraw/zinc/47/41/59/492474159.db2.gz HJDUOPLZTCLWKQ-GOEBONIOSA-N 2 2 362.499 0.603 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643477154 492474186 /nfs/dbraw/zinc/47/41/86/492474186.db2.gz QQXRWOLFRCXLRQ-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000643478414 492474659 /nfs/dbraw/zinc/47/46/59/492474659.db2.gz STJONNNSXZVZEK-BHYGNILZSA-N 2 2 360.458 0.076 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000643478414 492474663 /nfs/dbraw/zinc/47/46/63/492474663.db2.gz STJONNNSXZVZEK-BHYGNILZSA-N 2 2 360.458 0.076 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479289 492475097 /nfs/dbraw/zinc/47/50/97/492475097.db2.gz NINMOXWFFXFPJW-CVEARBPZSA-N 2 2 362.499 0.460 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000643478769 492475606 /nfs/dbraw/zinc/47/56/06/492475606.db2.gz DEDHOJKNKVASIC-MRXNPFEDSA-N 2 2 374.485 0.455 20 0 FCADLP O=S(=O)(CCO)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655758964 492479368 /nfs/dbraw/zinc/47/93/68/492479368.db2.gz HFFPXBUDKILXQB-QGZVFWFLSA-N 2 2 368.499 0.796 20 0 FCADLP CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@H+](C)C1 ZINC000649001506 492482616 /nfs/dbraw/zinc/48/26/16/492482616.db2.gz NUYLVSZHBNJZDD-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000649001506 492482619 /nfs/dbraw/zinc/48/26/19/492482619.db2.gz NUYLVSZHBNJZDD-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000643512295 492485802 /nfs/dbraw/zinc/48/58/02/492485802.db2.gz CROXRHAGIOTYRR-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1C ZINC000643512295 492485806 /nfs/dbraw/zinc/48/58/06/492485806.db2.gz CROXRHAGIOTYRR-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635657762 492486993 /nfs/dbraw/zinc/48/69/93/492486993.db2.gz DFXAFRSBMROUJO-OAHLLOKOSA-N 2 2 361.552 0.932 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635657762 492486994 /nfs/dbraw/zinc/48/69/94/492486994.db2.gz DFXAFRSBMROUJO-OAHLLOKOSA-N 2 2 361.552 0.932 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562934 492498435 /nfs/dbraw/zinc/49/84/35/492498435.db2.gz DKTOBCOYCUMLIT-QRQLOZEOSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562934 492498438 /nfs/dbraw/zinc/49/84/38/492498438.db2.gz DKTOBCOYCUMLIT-QRQLOZEOSA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000635801631 492507236 /nfs/dbraw/zinc/50/72/36/492507236.db2.gz JUJKPAAKERQSNP-INIZCTEOSA-N 2 2 368.503 0.949 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000635801631 492507237 /nfs/dbraw/zinc/50/72/37/492507237.db2.gz JUJKPAAKERQSNP-INIZCTEOSA-N 2 2 368.503 0.949 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649283546 492521090 /nfs/dbraw/zinc/52/10/90/492521090.db2.gz KSUDQAUZQSXOPW-INIZCTEOSA-N 2 2 351.414 0.987 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1)N1CCCC1 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/nfs/dbraw/zinc/53/72/75/492537275.db2.gz QJUBFYOGMWHESS-IAGOWNOFSA-N 2 2 366.893 0.863 20 0 FCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747518 492542631 /nfs/dbraw/zinc/54/26/31/492542631.db2.gz BZPIVFBSIFTQFD-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747518 492542635 /nfs/dbraw/zinc/54/26/35/492542635.db2.gz BZPIVFBSIFTQFD-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP COC[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000649351290 492543379 /nfs/dbraw/zinc/54/33/79/492543379.db2.gz HRPHTGNEOZSVQZ-LJQANCHMSA-N 2 2 364.465 0.833 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000649409645 492551724 /nfs/dbraw/zinc/55/17/24/492551724.db2.gz INHGEQPADWACEW-UHFFFAOYSA-N 3 2 373.545 0.476 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000649409645 492551726 /nfs/dbraw/zinc/55/17/26/492551726.db2.gz INHGEQPADWACEW-UHFFFAOYSA-N 3 2 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C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000623782792 492595390 /nfs/dbraw/zinc/59/53/90/492595390.db2.gz AQLNIZHAVBHSDT-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000623782792 492595393 /nfs/dbraw/zinc/59/53/93/492595393.db2.gz AQLNIZHAVBHSDT-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000636519546 492607477 /nfs/dbraw/zinc/60/74/77/492607477.db2.gz SQCGEFHDBBPZTC-UHFFFAOYSA-N 2 2 359.430 0.625 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656354782 492610016 /nfs/dbraw/zinc/61/00/16/492610016.db2.gz HDSIDLDTPFAXHI-PMPSAXMXSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656354782 492610020 /nfs/dbraw/zinc/61/00/20/492610020.db2.gz HDSIDLDTPFAXHI-PMPSAXMXSA-N 2 2 359.474 0.869 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656355522 492610683 /nfs/dbraw/zinc/61/06/83/492610683.db2.gz KZOIVLXATPQPDZ-LSDHHAIUSA-N 2 2 354.520 0.285 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656355522 492610685 /nfs/dbraw/zinc/61/06/85/492610685.db2.gz KZOIVLXATPQPDZ-LSDHHAIUSA-N 2 2 354.520 0.285 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000636539456 492615283 /nfs/dbraw/zinc/61/52/83/492615283.db2.gz RLALFVNZWNZHDL-UHFFFAOYSA-N 2 2 355.442 0.933 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000636539456 492615286 /nfs/dbraw/zinc/61/52/86/492615286.db2.gz RLALFVNZWNZHDL-UHFFFAOYSA-N 2 2 355.442 0.933 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636558033 492621757 /nfs/dbraw/zinc/62/17/57/492621757.db2.gz IXZDMDPBZXQJRI-CQSZACIVSA-N 2 2 350.467 0.992 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564650 492623203 /nfs/dbraw/zinc/62/32/03/492623203.db2.gz GEXGDAKEVHCBCA-QZTJIDSGSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564650 492623205 /nfs/dbraw/zinc/62/32/05/492623205.db2.gz GEXGDAKEVHCBCA-QZTJIDSGSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000656474175 492623930 /nfs/dbraw/zinc/62/39/30/492623930.db2.gz QANBHXNYNXBXFU-IRXDYDNUSA-N 2 2 350.438 0.903 20 0 FCADLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3nc(N)nc(N)[nH+]3)CC2)cc1 ZINC000624256081 492631479 /nfs/dbraw/zinc/63/14/79/492631479.db2.gz ABQRNVZHITXKSR-UHFFFAOYSA-N 2 2 356.434 0.154 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000636607520 492636126 /nfs/dbraw/zinc/63/61/26/492636126.db2.gz IDCNXBUKAFPFAI-GOSISDBHSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000636607520 492636129 /nfs/dbraw/zinc/63/61/29/492636129.db2.gz IDCNXBUKAFPFAI-GOSISDBHSA-N 2 2 362.474 0.385 20 0 FCADLP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623818 492641296 /nfs/dbraw/zinc/64/12/96/492641296.db2.gz GBQZNSHHDHHRBD-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623818 492641299 /nfs/dbraw/zinc/64/12/99/492641299.db2.gz GBQZNSHHDHHRBD-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000636623818 492641303 /nfs/dbraw/zinc/64/13/03/492641303.db2.gz GBQZNSHHDHHRBD-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000636623818 492641308 /nfs/dbraw/zinc/64/13/08/492641308.db2.gz GBQZNSHHDHHRBD-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CC[N@H+](CC[NH3+])CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000629557117 492644833 /nfs/dbraw/zinc/64/48/33/492644833.db2.gz CZSOFWNDLHCCNU-UHFFFAOYSA-N 2 2 357.476 0.367 20 0 FCADLP CC[N@@H+](CC[NH3+])CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000629557117 492644835 /nfs/dbraw/zinc/64/48/35/492644835.db2.gz CZSOFWNDLHCCNU-UHFFFAOYSA-N 2 2 357.476 0.367 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000656788947 492649351 /nfs/dbraw/zinc/64/93/51/492649351.db2.gz KGKTUDMXMVQVQD-CZUORRHYSA-N 2 2 364.396 0.598 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644156993 492655191 /nfs/dbraw/zinc/65/51/91/492655191.db2.gz SDQIVCSFEIURFF-HUUCEWRRSA-N 2 2 362.478 0.254 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644156993 492655193 /nfs/dbraw/zinc/65/51/93/492655193.db2.gz SDQIVCSFEIURFF-HUUCEWRRSA-N 2 2 362.478 0.254 20 0 FCADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650627370 492656565 /nfs/dbraw/zinc/65/65/65/492656565.db2.gz IQSGVRUNLZUCAE-GOSISDBHSA-N 2 2 359.474 0.506 20 0 FCADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650627370 492656567 /nfs/dbraw/zinc/65/65/67/492656567.db2.gz IQSGVRUNLZUCAE-GOSISDBHSA-N 2 2 359.474 0.506 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000629608221 492659743 /nfs/dbraw/zinc/65/97/43/492659743.db2.gz VTYZOQPWJZGSLF-WBVHZDCISA-N 2 2 360.458 0.189 20 0 FCADLP COc1cc(NC(=O)CC[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc(OC)c1OC ZINC000629619740 492660160 /nfs/dbraw/zinc/66/01/60/492660160.db2.gz PQERTYMCQDRTMA-AWEZNQCLSA-N 2 2 367.446 0.697 20 0 FCADLP COc1cc(NC(=O)CC[NH2+]CC[N@H+]2CC[C@H](O)C2)cc(OC)c1OC ZINC000629619740 492660163 /nfs/dbraw/zinc/66/01/63/492660163.db2.gz PQERTYMCQDRTMA-AWEZNQCLSA-N 2 2 367.446 0.697 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000636732737 492674848 /nfs/dbraw/zinc/67/48/48/492674848.db2.gz KAGBATLZOOKRJD-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000636732737 492674852 /nfs/dbraw/zinc/67/48/52/492674852.db2.gz KAGBATLZOOKRJD-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000636732737 492674856 /nfs/dbraw/zinc/67/48/56/492674856.db2.gz KAGBATLZOOKRJD-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000636732737 492674858 /nfs/dbraw/zinc/67/48/58/492674858.db2.gz KAGBATLZOOKRJD-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000629815228 492685934 /nfs/dbraw/zinc/68/59/34/492685934.db2.gz QEHVPBDPNCRPKI-INIZCTEOSA-N 2 2 368.522 0.260 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000650970112 492689196 /nfs/dbraw/zinc/68/91/96/492689196.db2.gz NDMKMTKCBFZZIJ-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000650970112 492689199 /nfs/dbraw/zinc/68/91/99/492689199.db2.gz NDMKMTKCBFZZIJ-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCN(C)C1=O ZINC000636791219 492694075 /nfs/dbraw/zinc/69/40/75/492694075.db2.gz DVHMBVSTAZEMSI-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCN(C)C1=O ZINC000636791219 492694079 /nfs/dbraw/zinc/69/40/79/492694079.db2.gz DVHMBVSTAZEMSI-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](O)C(F)(F)F ZINC000636792597 492694173 /nfs/dbraw/zinc/69/41/73/492694173.db2.gz XUWTWLBVXRRFAO-LOWVWBTDSA-N 2 2 352.401 0.766 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](O)C(F)(F)F ZINC000636792597 492694177 /nfs/dbraw/zinc/69/41/77/492694177.db2.gz XUWTWLBVXRRFAO-LOWVWBTDSA-N 2 2 352.401 0.766 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636819031 492702308 /nfs/dbraw/zinc/70/23/08/492702308.db2.gz SWPJNRQFAOOHPF-LPHOPBHVSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636819031 492702312 /nfs/dbraw/zinc/70/23/12/492702312.db2.gz SWPJNRQFAOOHPF-LPHOPBHVSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000636819031 492702317 /nfs/dbraw/zinc/70/23/17/492702317.db2.gz SWPJNRQFAOOHPF-LPHOPBHVSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000636819031 492702319 /nfs/dbraw/zinc/70/23/19/492702319.db2.gz SWPJNRQFAOOHPF-LPHOPBHVSA-N 2 2 366.506 0.386 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@@H+]1C ZINC000636843863 492707969 /nfs/dbraw/zinc/70/79/69/492707969.db2.gz MIWGLSZTCRFHEX-VKJFTORMSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@H+]1C ZINC000636843863 492707971 /nfs/dbraw/zinc/70/79/71/492707971.db2.gz MIWGLSZTCRFHEX-VKJFTORMSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC[NH+]1C ZINC000636843863 492707975 /nfs/dbraw/zinc/70/79/75/492707975.db2.gz MIWGLSZTCRFHEX-VKJFTORMSA-N 2 2 354.495 0.384 20 0 FCADLP CN(C(=O)CCCCCS(N)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315238 492741137 /nfs/dbraw/zinc/74/11/37/492741137.db2.gz RQTBFHKRYXYSJZ-INIZCTEOSA-N 2 2 374.551 0.462 20 0 FCADLP CN(C(=O)CCCCCS(N)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315238 492741141 /nfs/dbraw/zinc/74/11/41/492741141.db2.gz RQTBFHKRYXYSJZ-INIZCTEOSA-N 2 2 374.551 0.462 20 0 FCADLP CC(=O)NC[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636987138 492743456 /nfs/dbraw/zinc/74/34/56/492743456.db2.gz MAVPKNGADPDKHA-KRWDZBQOSA-N 2 2 353.511 0.713 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2[nH+]1 ZINC000657659323 492774097 /nfs/dbraw/zinc/77/40/97/492774097.db2.gz FJDKWYPOHUVMBD-INIZCTEOSA-N 2 2 373.457 0.934 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2[nH+]1 ZINC000657659323 492774101 /nfs/dbraw/zinc/77/41/01/492774101.db2.gz FJDKWYPOHUVMBD-INIZCTEOSA-N 2 2 373.457 0.934 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000644569745 492785504 /nfs/dbraw/zinc/78/55/04/492785504.db2.gz UDGTXWXQTOZOKZ-OALUTQOASA-N 2 2 363.502 0.731 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580135 492787370 /nfs/dbraw/zinc/78/73/70/492787370.db2.gz WESYUDPJRHOZHU-ATZDWAIDSA-N 2 2 371.485 0.996 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580135 492787373 /nfs/dbraw/zinc/78/73/73/492787373.db2.gz WESYUDPJRHOZHU-ATZDWAIDSA-N 2 2 371.485 0.996 20 0 FCADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579338 492788015 /nfs/dbraw/zinc/78/80/15/492788015.db2.gz XBIUZQXWVWIISH-QZTJIDSGSA-N 2 2 371.485 0.916 20 0 FCADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579338 492788020 /nfs/dbraw/zinc/78/80/20/492788020.db2.gz XBIUZQXWVWIISH-QZTJIDSGSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580136 492788363 /nfs/dbraw/zinc/78/83/63/492788363.db2.gz WESYUDPJRHOZHU-AYOQOUSVSA-N 2 2 371.485 0.996 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(=O)N1c1cnn(C)c1 ZINC000644580136 492788366 /nfs/dbraw/zinc/78/83/66/492788366.db2.gz WESYUDPJRHOZHU-AYOQOUSVSA-N 2 2 371.485 0.996 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000644607532 492791177 /nfs/dbraw/zinc/79/11/77/492791177.db2.gz LKCNEWRIIXRJNP-IAGOWNOFSA-N 2 2 355.504 0.493 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000644607532 492791182 /nfs/dbraw/zinc/79/11/82/492791182.db2.gz LKCNEWRIIXRJNP-IAGOWNOFSA-N 2 2 355.504 0.493 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2[nH+]1 ZINC000657771541 492793502 /nfs/dbraw/zinc/79/35/02/492793502.db2.gz JWOLHKVWXBHZKP-HZPDHXFCSA-N 2 2 371.441 0.639 20 0 FCADLP CS(=O)(=O)NCCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631043250 492794229 /nfs/dbraw/zinc/79/42/29/492794229.db2.gz PQXKZZPFEVMJQL-UHFFFAOYSA-N 2 2 371.503 0.427 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)C[C@H](C)O1 ZINC000644640986 492794694 /nfs/dbraw/zinc/79/46/94/492794694.db2.gz MHAHJFXLSILFJU-UXLLHSPISA-N 2 2 360.462 0.265 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)C[C@H](C)O1 ZINC000644640986 492794698 /nfs/dbraw/zinc/79/46/98/492794698.db2.gz MHAHJFXLSILFJU-UXLLHSPISA-N 2 2 360.462 0.265 20 0 FCADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000631075281 492797747 /nfs/dbraw/zinc/79/77/47/492797747.db2.gz AILWBOQLJPSCGE-SFHVURJKSA-N 2 2 360.458 0.668 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000637260830 492801072 /nfs/dbraw/zinc/80/10/72/492801072.db2.gz SPZNSYVOOXPTSK-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000637260830 492801074 /nfs/dbraw/zinc/80/10/74/492801074.db2.gz SPZNSYVOOXPTSK-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000637260830 492801075 /nfs/dbraw/zinc/80/10/75/492801075.db2.gz SPZNSYVOOXPTSK-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000637260830 492801078 /nfs/dbraw/zinc/80/10/78/492801078.db2.gz SPZNSYVOOXPTSK-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283533 492805442 /nfs/dbraw/zinc/80/54/42/492805442.db2.gz USQCJTORRYKCNM-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000637283533 492805445 /nfs/dbraw/zinc/80/54/45/492805445.db2.gz USQCJTORRYKCNM-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637283533 492805447 /nfs/dbraw/zinc/80/54/47/492805447.db2.gz USQCJTORRYKCNM-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637283533 492805449 /nfs/dbraw/zinc/80/54/49/492805449.db2.gz USQCJTORRYKCNM-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP OC[C@@H]1CCCN1c1cc(N2CC[NH+](CCc3cnccn3)CC2)nc[nH+]1 ZINC000631535256 492822633 /nfs/dbraw/zinc/82/26/33/492822633.db2.gz VXRMDHSASAZIBL-KRWDZBQOSA-N 2 2 369.473 0.592 20 0 FCADLP c1cnc(CC[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000631533467 492822966 /nfs/dbraw/zinc/82/29/66/492822966.db2.gz DIEJESFHHJVEIR-UHFFFAOYSA-N 2 2 355.446 0.468 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000631698581 492837058 /nfs/dbraw/zinc/83/70/58/492837058.db2.gz BCDYTBPPFGATRQ-QGZVFWFLSA-N 2 2 355.504 0.759 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000631698581 492837060 /nfs/dbraw/zinc/83/70/60/492837060.db2.gz BCDYTBPPFGATRQ-QGZVFWFLSA-N 2 2 355.504 0.759 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000631804152 492856084 /nfs/dbraw/zinc/85/60/84/492856084.db2.gz YKABKZPBGJUCAR-UHFFFAOYSA-N 2 2 367.519 0.347 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000631860372 492865360 /nfs/dbraw/zinc/86/53/60/492865360.db2.gz JYFRQPPJUFHRMJ-CRAIPNDOSA-N 2 2 358.486 0.687 20 0 FCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000637815352 492869225 /nfs/dbraw/zinc/86/92/25/492869225.db2.gz SXVWHGRQOBVFOW-UHFFFAOYSA-N 2 2 361.895 0.876 20 0 FCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000637815352 492869231 /nfs/dbraw/zinc/86/92/31/492869231.db2.gz SXVWHGRQOBVFOW-UHFFFAOYSA-N 2 2 361.895 0.876 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000631909790 492875688 /nfs/dbraw/zinc/87/56/88/492875688.db2.gz PEGZHOXFYJHAJP-UHFFFAOYSA-N 2 2 353.492 0.128 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000645202312 492877038 /nfs/dbraw/zinc/87/70/38/492877038.db2.gz HVABQYCWZQZYAK-QGZVFWFLSA-N 2 2 360.458 0.078 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000658427067 492885755 /nfs/dbraw/zinc/88/57/55/492885755.db2.gz XXZZDUPHHPFAMA-CABCVRRESA-N 2 2 362.474 0.912 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000658427067 492885759 /nfs/dbraw/zinc/88/57/59/492885759.db2.gz XXZZDUPHHPFAMA-CABCVRRESA-N 2 2 362.474 0.912 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801763 492889137 /nfs/dbraw/zinc/88/91/37/492889137.db2.gz KYTBJOZZHWOLGC-VDERGJSUSA-N 2 2 363.462 0.307 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801763 492889140 /nfs/dbraw/zinc/88/91/40/492889140.db2.gz KYTBJOZZHWOLGC-VDERGJSUSA-N 2 2 363.462 0.307 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CC1 ZINC000638054470 492896413 /nfs/dbraw/zinc/89/64/13/492896413.db2.gz DFWWDNIMXPMXCY-UHFFFAOYSA-N 2 2 372.420 0.544 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)nn1 ZINC000645359145 492898048 /nfs/dbraw/zinc/89/80/48/492898048.db2.gz SCGVUXNOAYIANY-GOSISDBHSA-N 2 2 372.473 0.820 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638063942 492898654 /nfs/dbraw/zinc/89/86/54/492898654.db2.gz YBAFCDRCCURINF-CRAIPNDOSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638063942 492898656 /nfs/dbraw/zinc/89/86/56/492898656.db2.gz YBAFCDRCCURINF-CRAIPNDOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000625919803 492902082 /nfs/dbraw/zinc/90/20/82/492902082.db2.gz GEGCUXCNOWZEPD-UKRRQHHQSA-N 2 2 363.462 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000625919803 492902088 /nfs/dbraw/zinc/90/20/88/492902088.db2.gz GEGCUXCNOWZEPD-UKRRQHHQSA-N 2 2 363.462 0.873 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652268717 492902830 /nfs/dbraw/zinc/90/28/30/492902830.db2.gz KNBSASIQJCDEHA-UHFFFAOYSA-N 2 2 368.453 0.775 20 0 FCADLP CO[C@@]1(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOC1 ZINC000638098397 492904508 /nfs/dbraw/zinc/90/45/08/492904508.db2.gz AFSJLDYQEOUXRV-GOSISDBHSA-N 2 2 363.462 0.241 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1 ZINC000638101984 492906030 /nfs/dbraw/zinc/90/60/30/492906030.db2.gz FVHJFHNBPHIWAS-GOSISDBHSA-N 2 2 360.502 0.641 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@@H+]2CC[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625959643 492908586 /nfs/dbraw/zinc/90/85/86/492908586.db2.gz KPCOCWRFSCLFFI-KBMXLJTQSA-N 2 2 363.462 0.167 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC[N@H+]2CC[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625959643 492908589 /nfs/dbraw/zinc/90/85/89/492908589.db2.gz KPCOCWRFSCLFFI-KBMXLJTQSA-N 2 2 363.462 0.167 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116187 492909777 /nfs/dbraw/zinc/90/97/77/492909777.db2.gz HRBHIXKZDUNYMX-QFBILLFUSA-N 3 2 360.502 0.850 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000638116187 492909780 /nfs/dbraw/zinc/90/97/80/492909780.db2.gz HRBHIXKZDUNYMX-QFBILLFUSA-N 3 2 360.502 0.850 20 0 FCADLP [NH3+]Cc1ncc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000638137811 492916164 /nfs/dbraw/zinc/91/61/64/492916164.db2.gz OMABZNMHBKYNGR-UHFFFAOYSA-N 2 2 368.485 0.873 20 0 FCADLP [NH3+]Cc1ncc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000638137811 492916168 /nfs/dbraw/zinc/91/61/68/492916168.db2.gz OMABZNMHBKYNGR-UHFFFAOYSA-N 2 2 368.485 0.873 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000638142034 492916784 /nfs/dbraw/zinc/91/67/84/492916784.db2.gz XHXMTBLHTWFYMF-LJQANCHMSA-N 2 2 372.513 0.350 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174185 492920709 /nfs/dbraw/zinc/92/07/09/492920709.db2.gz OMVUHEFIJYZXQN-GOSISDBHSA-N 2 2 358.486 0.584 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174185 492920714 /nfs/dbraw/zinc/92/07/14/492920714.db2.gz OMVUHEFIJYZXQN-GOSISDBHSA-N 2 2 358.486 0.584 20 0 FCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658520876 492924999 /nfs/dbraw/zinc/92/49/99/492924999.db2.gz AARHMEXEZJVHLU-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658520876 492925002 /nfs/dbraw/zinc/92/50/02/492925002.db2.gz AARHMEXEZJVHLU-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)[C@H]1c1[nH+]ccn1C ZINC000638268492 492925874 /nfs/dbraw/zinc/92/58/74/492925874.db2.gz WUECDTUZVNXIAE-BPUTZDHNSA-N 2 2 363.462 0.357 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000632086624 492926560 /nfs/dbraw/zinc/92/65/60/492926560.db2.gz HESLGFVXIMTMLH-HNNXBMFYSA-N 2 2 355.508 0.556 20 0 FCADLP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658533684 492933865 /nfs/dbraw/zinc/93/38/65/492933865.db2.gz XQRFJABHYCYTNV-KRWDZBQOSA-N 2 2 374.485 0.662 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000658539692 492937563 /nfs/dbraw/zinc/93/75/63/492937563.db2.gz GZCDGVBWXSRYCC-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)CCC(=O)N1C1CC1 ZINC000638449377 492947998 /nfs/dbraw/zinc/94/79/98/492947998.db2.gz OSPKMEBPGCLQSE-KCXAZCMYSA-N 2 2 359.474 0.976 20 0 FCADLP CO[C@@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000638453586 492948024 /nfs/dbraw/zinc/94/80/24/492948024.db2.gz FYEAMRMEOSNUFV-IRXDYDNUSA-N 2 2 362.474 0.761 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1[nH+]ccn1C ZINC000638515326 492957118 /nfs/dbraw/zinc/95/71/18/492957118.db2.gz ZXNBOLZPVHPZBR-SNPRPXQTSA-N 2 2 361.446 0.109 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCN1 ZINC000638528555 492958359 /nfs/dbraw/zinc/95/83/59/492958359.db2.gz DZVYXXHHQCUNAP-CVEARBPZSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000638753219 492975940 /nfs/dbraw/zinc/97/59/40/492975940.db2.gz SERHTHGDMRRXEF-SJORKVTESA-N 2 2 355.446 0.488 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000638753219 492975943 /nfs/dbraw/zinc/97/59/43/492975943.db2.gz SERHTHGDMRRXEF-SJORKVTESA-N 2 2 355.446 0.488 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658626222 492986401 /nfs/dbraw/zinc/98/64/01/492986401.db2.gz MUABJWOLHNWDTN-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658626222 492986404 /nfs/dbraw/zinc/98/64/04/492986404.db2.gz MUABJWOLHNWDTN-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906452 492986942 /nfs/dbraw/zinc/98/69/42/492986942.db2.gz TUFZZWHWRQGZAU-ROUUACIJSA-N 2 2 370.457 0.411 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906452 492986945 /nfs/dbraw/zinc/98/69/45/492986945.db2.gz TUFZZWHWRQGZAU-ROUUACIJSA-N 2 2 370.457 0.411 20 0 FCADLP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003008 492991417 /nfs/dbraw/zinc/99/14/17/492991417.db2.gz COCDPULAGTYWCO-ZIAGYGMSSA-N 2 2 357.380 0.561 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990687 492991488 /nfs/dbraw/zinc/99/14/88/492991488.db2.gz NVESKAZZWUPNJE-AWEZNQCLSA-N 2 2 363.487 0.119 20 0 FCADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002787 492991804 /nfs/dbraw/zinc/99/18/04/492991804.db2.gz ACPDOIRKQLIUFP-IBGZPJMESA-N 2 2 351.454 0.878 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000632406961 492991857 /nfs/dbraw/zinc/99/18/57/492991857.db2.gz XJHATXBOHXROHW-UHFFFAOYSA-N 2 2 361.471 0.817 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978117 492995245 /nfs/dbraw/zinc/99/52/45/492995245.db2.gz SHHCDTZFGDAXDJ-SJLPKXTDSA-N 3 2 360.506 0.706 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978117 492995248 /nfs/dbraw/zinc/99/52/48/492995248.db2.gz SHHCDTZFGDAXDJ-SJLPKXTDSA-N 3 2 360.506 0.706 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000652703365 492995846 /nfs/dbraw/zinc/99/58/46/492995846.db2.gz QFZGVBZTFDSIQW-AWEZNQCLSA-N 2 2 354.401 0.082 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000652703365 492995853 /nfs/dbraw/zinc/99/58/53/492995853.db2.gz QFZGVBZTFDSIQW-AWEZNQCLSA-N 2 2 354.401 0.082 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000645982866 492996285 /nfs/dbraw/zinc/99/62/85/492996285.db2.gz QERXHJGCEOSYMM-AWEZNQCLSA-N 2 2 358.433 0.292 20 0 FCADLP OC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000639271291 493004457 /nfs/dbraw/zinc/00/44/57/493004457.db2.gz UIJGSWUIMCUVRK-HKUYNNGSSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000639271291 493004459 /nfs/dbraw/zinc/00/44/59/493004459.db2.gz UIJGSWUIMCUVRK-HKUYNNGSSA-N 2 2 350.459 0.573 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639292954 493005340 /nfs/dbraw/zinc/00/53/40/493005340.db2.gz CNMPYFDRPLEGNF-QZTJIDSGSA-N 2 2 350.459 0.979 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639292954 493005344 /nfs/dbraw/zinc/00/53/44/493005344.db2.gz CNMPYFDRPLEGNF-QZTJIDSGSA-N 2 2 350.459 0.979 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000632491534 493010090 /nfs/dbraw/zinc/01/00/90/493010090.db2.gz JUFROUJYGRJJKZ-MRXNPFEDSA-N 2 2 362.474 0.831 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000632491534 493010093 /nfs/dbraw/zinc/01/00/93/493010093.db2.gz JUFROUJYGRJJKZ-MRXNPFEDSA-N 2 2 362.474 0.831 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)CCO2 ZINC000646104355 493012697 /nfs/dbraw/zinc/01/26/97/493012697.db2.gz AVMIMXYYGUREJU-KRWDZBQOSA-N 2 2 359.470 0.903 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)CCO2 ZINC000646104355 493012698 /nfs/dbraw/zinc/01/26/98/493012698.db2.gz AVMIMXYYGUREJU-KRWDZBQOSA-N 2 2 359.470 0.903 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000652736746 493012810 /nfs/dbraw/zinc/01/28/10/493012810.db2.gz OGADTYXETYMYKP-NEWSRXKRSA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000652736746 493012816 /nfs/dbraw/zinc/01/28/16/493012816.db2.gz OGADTYXETYMYKP-NEWSRXKRSA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000652736608 493012848 /nfs/dbraw/zinc/01/28/48/493012848.db2.gz JPLPIHGRQIXYAO-SOLBZPMBSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000652736608 493012852 /nfs/dbraw/zinc/01/28/52/493012852.db2.gz JPLPIHGRQIXYAO-SOLBZPMBSA-N 2 2 358.486 0.581 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639485223 493013925 /nfs/dbraw/zinc/01/39/25/493013925.db2.gz HVFFQXINZVZEFB-GOSISDBHSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639485223 493013928 /nfs/dbraw/zinc/01/39/28/493013928.db2.gz HVFFQXINZVZEFB-GOSISDBHSA-N 2 2 367.515 0.637 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513725 493014450 /nfs/dbraw/zinc/01/44/50/493014450.db2.gz INVODKJPQDTISI-FXAWDEMLSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513725 493014455 /nfs/dbraw/zinc/01/44/55/493014455.db2.gz INVODKJPQDTISI-FXAWDEMLSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@@H]2C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513725 493014460 /nfs/dbraw/zinc/01/44/60/493014460.db2.gz INVODKJPQDTISI-FXAWDEMLSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@@H]2C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513725 493014464 /nfs/dbraw/zinc/01/44/64/493014464.db2.gz INVODKJPQDTISI-FXAWDEMLSA-N 2 2 372.469 0.592 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537186 493017685 /nfs/dbraw/zinc/01/76/85/493017685.db2.gz XRTHWABWCTYZPR-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537186 493017688 /nfs/dbraw/zinc/01/76/88/493017688.db2.gz XRTHWABWCTYZPR-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639537186 493017692 /nfs/dbraw/zinc/01/76/92/493017692.db2.gz XRTHWABWCTYZPR-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639537186 493017696 /nfs/dbraw/zinc/01/76/96/493017696.db2.gz XRTHWABWCTYZPR-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000646138556 493018034 /nfs/dbraw/zinc/01/80/34/493018034.db2.gz LQGZBNPAFLRTTP-KBPBESRZSA-N 2 2 361.895 0.821 20 0 FCADLP Cc1cccn2cc(CCNC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)[nH+]c12 ZINC000646138415 493018204 /nfs/dbraw/zinc/01/82/04/493018204.db2.gz JMYUHVSCFDCXOE-CQSZACIVSA-N 2 2 353.430 0.959 20 0 FCADLP [NH3+]Cc1ccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000646185782 493023879 /nfs/dbraw/zinc/02/38/79/493023879.db2.gz HEHUPKQONKINCU-UHFFFAOYSA-N 2 2 369.473 0.557 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cn21 ZINC000646234277 493031666 /nfs/dbraw/zinc/03/16/66/493031666.db2.gz GZIIYAQUEVXQAM-HNNXBMFYSA-N 2 2 372.473 0.682 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858890 493058959 /nfs/dbraw/zinc/05/89/59/493058959.db2.gz ZZNYCYXEGSBVHQ-PBHICJAKSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858890 493058962 /nfs/dbraw/zinc/05/89/62/493058962.db2.gz ZZNYCYXEGSBVHQ-PBHICJAKSA-N 2 2 353.488 0.210 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2[nH+]1 ZINC000658805847 493063095 /nfs/dbraw/zinc/06/30/95/493063095.db2.gz ZXBZUELZLPGBMP-MRXNPFEDSA-N 2 2 371.441 0.951 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000626922250 493063634 /nfs/dbraw/zinc/06/36/34/493063634.db2.gz SILCOZFRTQLQIQ-GJZGRUSLSA-N 2 2 367.519 0.324 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000653066077 493065221 /nfs/dbraw/zinc/06/52/21/493065221.db2.gz CSNWRNIAEYFDOI-INIZCTEOSA-N 2 2 350.438 0.779 20 0 FCADLP CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653060626 493065372 /nfs/dbraw/zinc/06/53/72/493065372.db2.gz KKERJVUUKXJCSO-HNNXBMFYSA-N 2 2 356.492 0.983 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000653066376 493065567 /nfs/dbraw/zinc/06/55/67/493065567.db2.gz PYYMRQIODLTRTR-INIZCTEOSA-N 2 2 350.438 0.779 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000653078626 493066848 /nfs/dbraw/zinc/06/68/48/493066848.db2.gz GDQXDQFLMSPAOD-GXTWGEPZSA-N 2 2 363.380 0.840 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000653078711 493066980 /nfs/dbraw/zinc/06/69/80/493066980.db2.gz IPFWQYRCFCLBSZ-IRXDYDNUSA-N 2 2 362.474 0.491 20 0 FCADLP CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653075549 493067073 /nfs/dbraw/zinc/06/70/73/493067073.db2.gz QQOBPNNMDAVWAV-GFCCVEGCSA-N 2 2 358.464 0.674 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626936541 493067371 /nfs/dbraw/zinc/06/73/71/493067371.db2.gz IPRJVRALDFDLOO-QGZVFWFLSA-N 2 2 350.463 0.677 20 0 FCADLP CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653080903 493067992 /nfs/dbraw/zinc/06/79/92/493067992.db2.gz YBJIOVLVMPKWPX-INIZCTEOSA-N 2 2 370.519 0.410 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000653085719 493069048 /nfs/dbraw/zinc/06/90/48/493069048.db2.gz VTLOGSKZIRBUDW-HNNXBMFYSA-N 2 2 354.401 0.528 20 0 FCADLP COC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639951322 493070363 /nfs/dbraw/zinc/07/03/63/493070363.db2.gz JNYVYMTXLNHLTB-GOSISDBHSA-N 2 2 351.447 0.444 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653107247 493070666 /nfs/dbraw/zinc/07/06/66/493070666.db2.gz BPOIOKGYXBBEDS-GJZGRUSLSA-N 2 2 355.446 0.543 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000653111493 493072058 /nfs/dbraw/zinc/07/20/58/493072058.db2.gz PSCAYULRCRPQJC-ULQDDVLXSA-N 2 2 368.522 0.355 20 0 FCADLP COC[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000639957958 493072415 /nfs/dbraw/zinc/07/24/15/493072415.db2.gz XFPRNTKYPDHVLR-LJQANCHMSA-N 2 2 365.474 0.326 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115085 493072781 /nfs/dbraw/zinc/07/27/81/493072781.db2.gz CBHFQZBVPFIANI-NVXWUHKLSA-N 3 2 361.490 0.601 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115085 493072786 /nfs/dbraw/zinc/07/27/86/493072786.db2.gz CBHFQZBVPFIANI-NVXWUHKLSA-N 3 2 361.490 0.601 20 0 FCADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000653124583 493074865 /nfs/dbraw/zinc/07/48/65/493074865.db2.gz AVPMPDGBTHUAQO-QGZVFWFLSA-N 2 2 351.470 0.343 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000653124583 493074870 /nfs/dbraw/zinc/07/48/70/493074870.db2.gz AVPMPDGBTHUAQO-QGZVFWFLSA-N 3 2 351.470 0.343 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653124877 493076144 /nfs/dbraw/zinc/07/61/44/493076144.db2.gz KARVMINUJISNOV-IBGZPJMESA-N 3 2 361.534 0.719 20 0 FCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000653153489 493077979 /nfs/dbraw/zinc/07/79/79/493077979.db2.gz QLLLGTNKWIYLAW-CHWSQXEVSA-N 2 2 371.279 0.713 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000653155399 493078936 /nfs/dbraw/zinc/07/89/36/493078936.db2.gz RVZUXKIOTDXDDU-KGLIPLIRSA-N 2 2 356.829 0.980 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000653155326 493079031 /nfs/dbraw/zinc/07/90/31/493079031.db2.gz PLJGAHGTWAFGBJ-KGLIPLIRSA-N 2 2 356.829 0.980 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H]3C[C@H]2CN3CC[NH+]2CCO[C@H](C)C2)CCO1 ZINC000640050042 493079636 /nfs/dbraw/zinc/07/96/36/493079636.db2.gz VLSZQCFKAIRQBI-YRXWBPOGSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H]3C[C@H]2CN3CC[NH+]2CCO[C@H](C)C2)CCO1 ZINC000640050042 493079639 /nfs/dbraw/zinc/07/96/39/493079639.db2.gz VLSZQCFKAIRQBI-YRXWBPOGSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[C@H]2CN3CC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000640050042 493079642 /nfs/dbraw/zinc/07/96/42/493079642.db2.gz VLSZQCFKAIRQBI-YRXWBPOGSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[C@H]2CN3CC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000640050042 493079644 /nfs/dbraw/zinc/07/96/44/493079644.db2.gz VLSZQCFKAIRQBI-YRXWBPOGSA-N 2 2 352.523 0.186 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@H+](C)CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000640064418 493081883 /nfs/dbraw/zinc/08/18/83/493081883.db2.gz VOFRITUEKIZKIQ-SFHVURJKSA-N 2 2 374.485 0.502 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@@H+](C)CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000640064418 493081887 /nfs/dbraw/zinc/08/18/87/493081887.db2.gz VOFRITUEKIZKIQ-SFHVURJKSA-N 2 2 374.485 0.502 20 0 FCADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000653201919 493082863 /nfs/dbraw/zinc/08/28/63/493082863.db2.gz BKFYZZAQWLRHAV-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000653201919 493082866 /nfs/dbraw/zinc/08/28/66/493082866.db2.gz BKFYZZAQWLRHAV-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000653275560 493088331 /nfs/dbraw/zinc/08/83/31/493088331.db2.gz IEMYNRITSWNTEE-SFHVURJKSA-N 2 2 374.485 0.845 20 0 FCADLP O=C1C[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653279998 493089015 /nfs/dbraw/zinc/08/90/15/493089015.db2.gz SMQJIJLCFKQBAI-CVEARBPZSA-N 2 2 357.458 0.331 20 0 FCADLP O=C1C[C@H]([N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C(=O)N1 ZINC000653279998 493089017 /nfs/dbraw/zinc/08/90/17/493089017.db2.gz SMQJIJLCFKQBAI-CVEARBPZSA-N 2 2 357.458 0.331 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000653355163 493098414 /nfs/dbraw/zinc/09/84/14/493098414.db2.gz LFWNCPUZMRMLOA-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000653355163 493098418 /nfs/dbraw/zinc/09/84/18/493098418.db2.gz LFWNCPUZMRMLOA-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000632981050 493099283 /nfs/dbraw/zinc/09/92/83/493099283.db2.gz MNBHIYGHUXJTRZ-UHFFFAOYSA-N 2 2 372.477 0.944 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000653361562 493101011 /nfs/dbraw/zinc/10/10/11/493101011.db2.gz SDAUDCYFWANPCU-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000627190810 493105588 /nfs/dbraw/zinc/10/55/88/493105588.db2.gz VZQLZIOGVSTZEH-OAHLLOKOSA-N 2 2 352.435 0.112 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627203931 493107294 /nfs/dbraw/zinc/10/72/94/493107294.db2.gz QUJLVBHRNCGOEO-QPSCCSFWSA-N 2 2 352.458 0.772 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627223280 493109936 /nfs/dbraw/zinc/10/99/36/493109936.db2.gz AICMWWOAYLALHR-RCCFBDPRSA-N 2 2 359.474 0.676 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627223280 493109937 /nfs/dbraw/zinc/10/99/37/493109937.db2.gz AICMWWOAYLALHR-RCCFBDPRSA-N 2 2 359.474 0.676 20 0 FCADLP C[C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000646845764 493111314 /nfs/dbraw/zinc/11/13/14/493111314.db2.gz MDJGDXWKBKMMLZ-DAYGRLMNSA-N 2 2 364.465 0.911 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640562658 493117479 /nfs/dbraw/zinc/11/74/79/493117479.db2.gz OIKWNRXVRSBITM-UHFFFAOYSA-N 2 2 362.478 0.817 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000653397177 493118619 /nfs/dbraw/zinc/11/86/19/493118619.db2.gz NUUIUKAZKUAHLR-NEWSRXKRSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)CC[N@H+]1C ZINC000653397177 493118620 /nfs/dbraw/zinc/11/86/20/493118620.db2.gz NUUIUKAZKUAHLR-NEWSRXKRSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397177 493118623 /nfs/dbraw/zinc/11/86/23/493118623.db2.gz NUUIUKAZKUAHLR-NEWSRXKRSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397177 493118626 /nfs/dbraw/zinc/11/86/26/493118626.db2.gz NUUIUKAZKUAHLR-NEWSRXKRSA-N 2 2 372.513 0.971 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640598170 493119640 /nfs/dbraw/zinc/11/96/40/493119640.db2.gz JCTHDZHQCFHBJH-UHFFFAOYSA-N 2 2 351.451 0.960 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000633115503 493132417 /nfs/dbraw/zinc/13/24/17/493132417.db2.gz LDTDKXKPUVPOOM-JKSUJKDBSA-N 2 2 360.458 0.158 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000633116940 493132569 /nfs/dbraw/zinc/13/25/69/493132569.db2.gz YEDSWAZLWQBQSY-GJZGRUSLSA-N 2 2 374.489 0.505 20 0 FCADLP Cc1[nH+]ccn1Cc1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1 ZINC000640867358 493139548 /nfs/dbraw/zinc/13/95/48/493139548.db2.gz SMNXGGKDPOILLK-UHFFFAOYSA-N 2 2 361.450 0.058 20 0 FCADLP CC[NH+]1CCC(NC(=O)Cn2cc(C[NH+]3CCSCC3)nn2)CC1 ZINC000640867508 493140366 /nfs/dbraw/zinc/14/03/66/493140366.db2.gz SCHFGZXPWVLRKK-UHFFFAOYSA-N 2 2 352.508 0.427 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627300205 493141568 /nfs/dbraw/zinc/14/15/68/493141568.db2.gz SJTOYDHNJGDVMA-UHFFFAOYSA-N 2 2 361.446 0.285 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000646987833 493141752 /nfs/dbraw/zinc/14/17/52/493141752.db2.gz QWHGYCUASPNCFW-MRXNPFEDSA-N 2 2 359.474 0.769 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627308963 493144736 /nfs/dbraw/zinc/14/47/36/493144736.db2.gz DEIHVNBTTSNFQX-QGZVFWFLSA-N 2 2 357.458 0.917 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000659093095 493149424 /nfs/dbraw/zinc/14/94/24/493149424.db2.gz AUKRPSMPZXIMEY-UHFFFAOYSA-N 2 2 361.490 0.568 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000640932191 493152172 /nfs/dbraw/zinc/15/21/72/493152172.db2.gz SIJVBNLYFGCXLB-IWCQGFGOSA-N 2 2 366.485 0.972 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000640932191 493152175 /nfs/dbraw/zinc/15/21/75/493152175.db2.gz SIJVBNLYFGCXLB-IWCQGFGOSA-N 2 2 366.485 0.972 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CCCC3)c2)CC1 ZINC000659099536 493152606 /nfs/dbraw/zinc/15/26/06/493152606.db2.gz FWSYWHOOJNQMRG-UHFFFAOYSA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000627324550 493153816 /nfs/dbraw/zinc/15/38/16/493153816.db2.gz FGYMGRJHRBZVOT-INIZCTEOSA-N 2 2 359.474 0.754 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000647101631 493163812 /nfs/dbraw/zinc/16/38/12/493163812.db2.gz PCTQPJFDTDBECO-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000647101631 493163816 /nfs/dbraw/zinc/16/38/16/493163816.db2.gz PCTQPJFDTDBECO-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641053444 493164365 /nfs/dbraw/zinc/16/43/65/493164365.db2.gz SYQIIPFYQDMWHX-DLBZAZTESA-N 2 2 365.522 0.857 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000659162859 493164450 /nfs/dbraw/zinc/16/44/50/493164450.db2.gz MCQCSYLCJIWJGZ-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000659162859 493164455 /nfs/dbraw/zinc/16/44/55/493164455.db2.gz MCQCSYLCJIWJGZ-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000659162861 493164500 /nfs/dbraw/zinc/16/45/00/493164500.db2.gz MCQCSYLCJIWJGZ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000659162861 493164503 /nfs/dbraw/zinc/16/45/03/493164503.db2.gz MCQCSYLCJIWJGZ-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681519419 493181405 /nfs/dbraw/zinc/18/14/05/493181405.db2.gz OJNDLQHGAIFFDX-LLLHUVSDSA-N 2 2 354.495 0.647 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681519419 493181411 /nfs/dbraw/zinc/18/14/11/493181411.db2.gz OJNDLQHGAIFFDX-LLLHUVSDSA-N 2 2 354.495 0.647 20 0 FCADLP O[C@]1(Cn2cc(CC[NH+]3CCOCC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230796 493185096 /nfs/dbraw/zinc/18/50/96/493185096.db2.gz UOCXJIHVOBYTDG-HXUWFJFHSA-N 2 2 371.485 0.790 20 0 FCADLP O[C@]1(Cn2cc(CC[NH+]3CCOCC3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641230796 493185103 /nfs/dbraw/zinc/18/51/03/493185103.db2.gz UOCXJIHVOBYTDG-HXUWFJFHSA-N 2 2 371.485 0.790 20 0 FCADLP CCOC1CC(CNC(=O)NCC[C@@H]([NH3+])C(C)C)([NH+]2CCOCC2)C1 ZINC000659487093 493191699 /nfs/dbraw/zinc/19/16/99/493191699.db2.gz QCEQJVWBLDFTJU-UPTPFMHGSA-N 2 2 356.511 0.929 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344584 493195657 /nfs/dbraw/zinc/19/56/57/493195657.db2.gz HQJRTGZOFJLCCS-FUHWJXTLSA-N 2 2 362.518 0.872 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](C2CC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344584 493195659 /nfs/dbraw/zinc/19/56/59/493195659.db2.gz HQJRTGZOFJLCCS-FUHWJXTLSA-N 2 2 362.518 0.872 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534506 493196619 /nfs/dbraw/zinc/19/66/19/493196619.db2.gz NZXYJDJSYSYERW-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534506 493196623 /nfs/dbraw/zinc/19/66/23/493196623.db2.gz NZXYJDJSYSYERW-KRWDZBQOSA-N 2 2 373.501 0.333 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000681709792 493208148 /nfs/dbraw/zinc/20/81/48/493208148.db2.gz LJGZYBHOKLWRRI-ZBFHGGJFSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000681709792 493208153 /nfs/dbraw/zinc/20/81/53/493208153.db2.gz LJGZYBHOKLWRRI-ZBFHGGJFSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000681709790 493208277 /nfs/dbraw/zinc/20/82/77/493208277.db2.gz LJGZYBHOKLWRRI-HOCLYGCPSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000681709790 493208282 /nfs/dbraw/zinc/20/82/82/493208282.db2.gz LJGZYBHOKLWRRI-HOCLYGCPSA-N 2 2 369.473 0.886 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666691991 493216875 /nfs/dbraw/zinc/21/68/75/493216875.db2.gz ILAHNYFVVKGQQN-GOSISDBHSA-N 2 2 372.469 0.594 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000666691993 493217621 /nfs/dbraw/zinc/21/76/21/493217621.db2.gz INEZEUIRYJQXOB-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n(-c2nc(C)cc(C)n2)n1 ZINC000666699520 493218231 /nfs/dbraw/zinc/21/82/31/493218231.db2.gz BDIJOQVUILFETD-CQSZACIVSA-N 2 2 358.450 0.694 20 0 FCADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n(-c2nc(C)cc(C)n2)n1 ZINC000666699520 493218234 /nfs/dbraw/zinc/21/82/34/493218234.db2.gz BDIJOQVUILFETD-CQSZACIVSA-N 2 2 358.450 0.694 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000672637667 493221054 /nfs/dbraw/zinc/22/10/54/493221054.db2.gz LZNNCFNXHXCUIQ-KRWDZBQOSA-N 2 2 374.485 0.080 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000672637667 493221056 /nfs/dbraw/zinc/22/10/56/493221056.db2.gz LZNNCFNXHXCUIQ-KRWDZBQOSA-N 2 2 374.485 0.080 20 0 FCADLP CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639223 493222965 /nfs/dbraw/zinc/22/29/65/493222965.db2.gz KILWOARSBHHZBG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C[C@H]1CCOC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639223 493222968 /nfs/dbraw/zinc/22/29/68/493222968.db2.gz KILWOARSBHHZBG-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640011 493223477 /nfs/dbraw/zinc/22/34/77/493223477.db2.gz RJSJTXNAZASQSI-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640011 493223481 /nfs/dbraw/zinc/22/34/81/493223481.db2.gz RJSJTXNAZASQSI-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP CCOC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640274 493223497 /nfs/dbraw/zinc/22/34/97/493223497.db2.gz YSTFYXVYKOMAGL-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640274 493223500 /nfs/dbraw/zinc/22/35/00/493223500.db2.gz YSTFYXVYKOMAGL-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640290 493223761 /nfs/dbraw/zinc/22/37/61/493223761.db2.gz YXWVEDROZOUKDO-OWCLPIDISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640290 493223764 /nfs/dbraw/zinc/22/37/64/493223764.db2.gz YXWVEDROZOUKDO-OWCLPIDISA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](c4ccco4)C3)C2)CC1 ZINC000672640557 493224856 /nfs/dbraw/zinc/22/48/56/493224856.db2.gz XIMIHKSPUZXRJA-HOTGVXAUSA-N 2 2 374.485 0.880 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](c4ccco4)C3)C2)CC1 ZINC000672640557 493224858 /nfs/dbraw/zinc/22/48/58/493224858.db2.gz XIMIHKSPUZXRJA-HOTGVXAUSA-N 2 2 374.485 0.880 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](c4ccco4)C3)C2)CC1 ZINC000672640560 493225178 /nfs/dbraw/zinc/22/51/78/493225178.db2.gz XIMIHKSPUZXRJA-JKSUJKDBSA-N 2 2 374.485 0.880 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](c4ccco4)C3)C2)CC1 ZINC000672640560 493225181 /nfs/dbraw/zinc/22/51/81/493225181.db2.gz XIMIHKSPUZXRJA-JKSUJKDBSA-N 2 2 374.485 0.880 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642355 493225624 /nfs/dbraw/zinc/22/56/24/493225624.db2.gz HMGJITPATHDUIH-LSDHHAIUSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642355 493225626 /nfs/dbraw/zinc/22/56/26/493225626.db2.gz HMGJITPATHDUIH-LSDHHAIUSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC3(C)C)C2)CC1 ZINC000672642568 493225665 /nfs/dbraw/zinc/22/56/65/493225665.db2.gz CREVUWUCOOPPIV-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC3(C)C)C2)CC1 ZINC000672642568 493225667 /nfs/dbraw/zinc/22/56/67/493225667.db2.gz CREVUWUCOOPPIV-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@]1(C)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641387 493225787 /nfs/dbraw/zinc/22/57/87/493225787.db2.gz PWFNKZXDOKMARV-BEFAXECRSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@]1(C)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641387 493225788 /nfs/dbraw/zinc/22/57/88/493225788.db2.gz PWFNKZXDOKMARV-BEFAXECRSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[C@H]3CCCCO3)C2)CC1 ZINC000672642654 493225846 /nfs/dbraw/zinc/22/58/46/493225846.db2.gz RWJAUBXARRHQTR-DOTOQJQBSA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[C@H]3CCCCO3)C2)CC1 ZINC000672642654 493225848 /nfs/dbraw/zinc/22/58/48/493225848.db2.gz RWJAUBXARRHQTR-DOTOQJQBSA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCCS3)C2)CC1 ZINC000672642682 493228037 /nfs/dbraw/zinc/22/80/37/493228037.db2.gz CWWGDXPCPLVAGL-ZBFHGGJFSA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCCS3)C2)CC1 ZINC000672642682 493228042 /nfs/dbraw/zinc/22/80/42/493228042.db2.gz CWWGDXPCPLVAGL-ZBFHGGJFSA-N 2 2 368.547 0.673 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000672643371 493228283 /nfs/dbraw/zinc/22/82/83/493228283.db2.gz WMUWLCFAFYYRCN-ZNMIVQPWSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000672643371 493228287 /nfs/dbraw/zinc/22/82/87/493228287.db2.gz WMUWLCFAFYYRCN-ZNMIVQPWSA-N 2 2 368.547 0.624 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672688063 493232823 /nfs/dbraw/zinc/23/28/23/493232823.db2.gz GTLNRYJFWVXQCA-INIZCTEOSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672688063 493232827 /nfs/dbraw/zinc/23/28/27/493232827.db2.gz GTLNRYJFWVXQCA-INIZCTEOSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000672688063 493232830 /nfs/dbraw/zinc/23/28/30/493232830.db2.gz GTLNRYJFWVXQCA-INIZCTEOSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672708116 493237117 /nfs/dbraw/zinc/23/71/17/493237117.db2.gz CJXCVLGEPUCHDW-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672708116 493237118 /nfs/dbraw/zinc/23/71/18/493237118.db2.gz CJXCVLGEPUCHDW-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000672708116 493237123 /nfs/dbraw/zinc/23/71/23/493237123.db2.gz CJXCVLGEPUCHDW-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000672708116 493237127 /nfs/dbraw/zinc/23/71/27/493237127.db2.gz CJXCVLGEPUCHDW-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000672708970 493237518 /nfs/dbraw/zinc/23/75/18/493237518.db2.gz JQJKRUYESORYRH-QGZVFWFLSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000672708970 493237521 /nfs/dbraw/zinc/23/75/21/493237521.db2.gz JQJKRUYESORYRH-QGZVFWFLSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000672708970 493237525 /nfs/dbraw/zinc/23/75/25/493237525.db2.gz JQJKRUYESORYRH-QGZVFWFLSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000672708970 493237528 /nfs/dbraw/zinc/23/75/28/493237528.db2.gz JQJKRUYESORYRH-QGZVFWFLSA-N 2 2 369.554 0.357 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000659675021 493245768 /nfs/dbraw/zinc/24/57/68/493245768.db2.gz XPCMFEJMUUGGOR-QGZVFWFLSA-N 2 2 374.485 0.391 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000659675021 493245770 /nfs/dbraw/zinc/24/57/70/493245770.db2.gz XPCMFEJMUUGGOR-QGZVFWFLSA-N 2 2 374.485 0.391 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)[nH+]c12 ZINC000672766399 493247770 /nfs/dbraw/zinc/24/77/70/493247770.db2.gz ZHIPEDHMXRJJFX-AWEZNQCLSA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)[nH+]c12 ZINC000672766399 493247775 /nfs/dbraw/zinc/24/77/75/493247775.db2.gz ZHIPEDHMXRJJFX-AWEZNQCLSA-N 2 2 357.458 0.900 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000659680581 493248460 /nfs/dbraw/zinc/24/84/60/493248460.db2.gz OHNHAHHNDVCPSH-UHFFFAOYSA-N 2 2 362.474 0.331 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659696807 493258566 /nfs/dbraw/zinc/25/85/66/493258566.db2.gz NPSWFPUBGIJZSF-HOTGVXAUSA-N 2 2 359.474 0.552 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659727249 493274796 /nfs/dbraw/zinc/27/47/96/493274796.db2.gz JNJWHLKNYVFGFP-BHYGNILZSA-N 2 2 371.485 0.802 20 0 FCADLP CC(C)OCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673004778 493279083 /nfs/dbraw/zinc/27/90/83/493279083.db2.gz WIAKNVYZSZLTAT-MRXNPFEDSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673004778 493279087 /nfs/dbraw/zinc/27/90/87/493279087.db2.gz WIAKNVYZSZLTAT-MRXNPFEDSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCO1 ZINC000667404239 493283447 /nfs/dbraw/zinc/28/34/47/493283447.db2.gz HQAHVOINJRRIDH-WFASDCNBSA-N 2 2 357.414 0.600 20 0 FCADLP CCc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682270972 493284344 /nfs/dbraw/zinc/28/43/44/493284344.db2.gz QXFPFFLIZSFMKX-AWEZNQCLSA-N 2 2 362.478 0.206 20 0 FCADLP CCc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682270972 493284346 /nfs/dbraw/zinc/28/43/46/493284346.db2.gz QXFPFFLIZSFMKX-AWEZNQCLSA-N 2 2 362.478 0.206 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000659812790 493291612 /nfs/dbraw/zinc/29/16/12/493291612.db2.gz XLVBAEZBDYLYJG-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000659812790 493291614 /nfs/dbraw/zinc/29/16/14/493291614.db2.gz XLVBAEZBDYLYJG-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000659955267 493307483 /nfs/dbraw/zinc/30/74/83/493307483.db2.gz JRLDUBBMYHRRQC-MRXNPFEDSA-N 2 2 353.488 0.749 20 0 FCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000659955267 493307486 /nfs/dbraw/zinc/30/74/86/493307486.db2.gz JRLDUBBMYHRRQC-MRXNPFEDSA-N 2 2 353.488 0.749 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000673276273 493310594 /nfs/dbraw/zinc/31/05/94/493310594.db2.gz LPUJAZBRJKKRHT-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000673276273 493310596 /nfs/dbraw/zinc/31/05/96/493310596.db2.gz LPUJAZBRJKKRHT-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000673303945 493315601 /nfs/dbraw/zinc/31/56/01/493315601.db2.gz PVELZXOMPQDNMP-CVEARBPZSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000673303945 493315603 /nfs/dbraw/zinc/31/56/03/493315603.db2.gz PVELZXOMPQDNMP-CVEARBPZSA-N 2 2 359.474 0.575 20 0 FCADLP CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617249 493385281 /nfs/dbraw/zinc/38/52/81/493385281.db2.gz JEXMUCMAUJEQRH-CABCVRRESA-N 2 2 360.524 0.071 20 0 FCADLP CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617249 493385284 /nfs/dbraw/zinc/38/52/84/493385284.db2.gz JEXMUCMAUJEQRH-CABCVRRESA-N 2 2 360.524 0.071 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000674061603 493385539 /nfs/dbraw/zinc/38/55/39/493385539.db2.gz BEVJFAMRNXPFCF-SJORKVTESA-N 2 2 361.490 0.986 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000674061602 493385899 /nfs/dbraw/zinc/38/58/99/493385899.db2.gz BEVJFAMRNXPFCF-IRXDYDNUSA-N 2 2 361.490 0.986 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660909921 493392412 /nfs/dbraw/zinc/39/24/12/493392412.db2.gz RNKKNTWNLZOLAJ-KZNAEPCWSA-N 2 2 366.506 0.746 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000660931489 493394207 /nfs/dbraw/zinc/39/42/07/493394207.db2.gz RJYRSXAOEKWNTQ-HOCLYGCPSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000660931489 493394210 /nfs/dbraw/zinc/39/42/10/493394210.db2.gz RJYRSXAOEKWNTQ-HOCLYGCPSA-N 2 2 369.473 0.886 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000661029839 493403332 /nfs/dbraw/zinc/40/33/32/493403332.db2.gz NXIBPJOIJDTGRE-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000684435363 493412515 /nfs/dbraw/zinc/41/25/15/493412515.db2.gz YUNYVRHJBBWDKM-HZPDHXFCSA-N 2 2 372.473 0.894 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000668829198 493417601 /nfs/dbraw/zinc/41/76/01/493417601.db2.gz LAPPUDDKTSKROC-BBWFWOEESA-N 2 2 368.522 0.448 20 0 FCADLP CNC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660511 493427110 /nfs/dbraw/zinc/42/71/10/493427110.db2.gz MBSVLFOIWKARIT-KDOFPFPSSA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660511 493427113 /nfs/dbraw/zinc/42/71/13/493427113.db2.gz MBSVLFOIWKARIT-KDOFPFPSSA-N 2 2 351.495 0.323 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000661403496 493435632 /nfs/dbraw/zinc/43/56/32/493435632.db2.gz RNYRZCQRVOKDGD-AEFFLSMTSA-N 2 2 371.485 0.591 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000661403496 493435636 /nfs/dbraw/zinc/43/56/36/493435636.db2.gz RNYRZCQRVOKDGD-AEFFLSMTSA-N 2 2 371.485 0.591 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C(N)=O)nc3)C2)CC1 ZINC000674704687 493441023 /nfs/dbraw/zinc/44/10/23/493441023.db2.gz POTHSNWZILEWBN-CQSZACIVSA-N 2 2 360.462 0.148 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C(N)=O)nc3)C2)CC1 ZINC000674704687 493441024 /nfs/dbraw/zinc/44/10/24/493441024.db2.gz POTHSNWZILEWBN-CQSZACIVSA-N 2 2 360.462 0.148 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000669092046 493462886 /nfs/dbraw/zinc/46/28/86/493462886.db2.gz WLBFPCBWXYCEDL-MRXNPFEDSA-N 2 2 363.462 0.021 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000674992589 493463984 /nfs/dbraw/zinc/46/39/84/493463984.db2.gz FXDWCRZCHKWORY-AWEZNQCLSA-N 2 2 359.474 0.323 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000674992589 493463985 /nfs/dbraw/zinc/46/39/85/493463985.db2.gz FXDWCRZCHKWORY-AWEZNQCLSA-N 2 2 359.474 0.323 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000669168156 493472339 /nfs/dbraw/zinc/47/23/39/493472339.db2.gz HLGVBENSQMHWMI-ZIAGYGMSSA-N 2 2 359.434 0.037 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000675194263 493472914 /nfs/dbraw/zinc/47/29/14/493472914.db2.gz LRACOGZFIGHYBW-CVEARBPZSA-N 2 2 365.522 0.855 20 0 FCADLP CN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000661986774 493481029 /nfs/dbraw/zinc/48/10/29/493481029.db2.gz JGEKOBPUEIONFX-BBWFWOEESA-N 2 2 352.479 0.354 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000685344575 493482689 /nfs/dbraw/zinc/48/26/89/493482689.db2.gz YTHHXZMMUZFJQH-JQHSSLGASA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000685344575 493482692 /nfs/dbraw/zinc/48/26/92/493482692.db2.gz YTHHXZMMUZFJQH-JQHSSLGASA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344575 493482694 /nfs/dbraw/zinc/48/26/94/493482694.db2.gz YTHHXZMMUZFJQH-JQHSSLGASA-N 2 2 374.485 0.337 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344575 493482697 /nfs/dbraw/zinc/48/26/97/493482697.db2.gz YTHHXZMMUZFJQH-JQHSSLGASA-N 2 2 374.485 0.337 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000685358126 493484793 /nfs/dbraw/zinc/48/47/93/493484793.db2.gz ODYXVKIMFVPWNM-UXLLHSPISA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000685358126 493484795 /nfs/dbraw/zinc/48/47/95/493484795.db2.gz ODYXVKIMFVPWNM-UXLLHSPISA-N 2 2 371.485 0.789 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000662056443 493486546 /nfs/dbraw/zinc/48/65/46/493486546.db2.gz HCZDHXCSXNIIJV-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000662056443 493486550 /nfs/dbraw/zinc/48/65/50/493486550.db2.gz HCZDHXCSXNIIJV-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000669366422 493501504 /nfs/dbraw/zinc/50/15/04/493501504.db2.gz NVSQYRDIWLXANE-CGTJXYLNSA-N 2 2 362.474 0.818 20 0 FCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000669397194 493502320 /nfs/dbraw/zinc/50/23/20/493502320.db2.gz AUZNTPWOGBFIOS-HOTGVXAUSA-N 2 2 361.494 0.225 20 0 FCADLP O=c1cc(C[NH2+]C2(CO)CC[NH2+]CC2)nc2ccc(Br)cn12 ZINC000662285502 493502406 /nfs/dbraw/zinc/50/24/06/493502406.db2.gz BVBFHLQIMRNYSK-UHFFFAOYSA-N 2 2 367.247 0.661 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290811 493503717 /nfs/dbraw/zinc/50/37/17/493503717.db2.gz KVMMIIGCOJOPEO-HYVNUMGLSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292607 493503757 /nfs/dbraw/zinc/50/37/57/493503757.db2.gz OSQGCSLVHGWION-FVQBIDKESA-N 2 2 357.520 0.390 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1Br)C[C@H](O)CO ZINC000662289659 493503866 /nfs/dbraw/zinc/50/38/66/493503866.db2.gz UYERQJJHDIDWSS-NSHDSACASA-N 2 2 360.252 0.392 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@H](O)CO ZINC000662289659 493503868 /nfs/dbraw/zinc/50/38/68/493503868.db2.gz UYERQJJHDIDWSS-NSHDSACASA-N 2 2 360.252 0.392 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000662293280 493504998 /nfs/dbraw/zinc/50/49/98/493504998.db2.gz FRROMECJNWZLJA-SJORKVTESA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000662293280 493505001 /nfs/dbraw/zinc/50/50/01/493505001.db2.gz FRROMECJNWZLJA-SJORKVTESA-N 2 2 371.547 0.734 20 0 FCADLP Cc1cc(N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)nc(C(C)C)[nH+]1 ZINC000662356501 493509291 /nfs/dbraw/zinc/50/92/91/493509291.db2.gz SRJPVMFONVDYDQ-UHFFFAOYSA-N 2 2 358.450 0.421 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669542751 493510340 /nfs/dbraw/zinc/51/03/40/493510340.db2.gz CJMBIFKWCYQXKT-HUUCEWRRSA-N 2 2 360.462 0.157 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)([NH+]2CCOCC2)C1 ZINC000669571504 493511382 /nfs/dbraw/zinc/51/13/82/493511382.db2.gz VICNQERKXLQKFC-MHAAMQRSSA-N 2 2 354.495 0.825 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@H]2CCCC[NH2+]2)([NH+]2CCOCC2)C1 ZINC000669571486 493511601 /nfs/dbraw/zinc/51/16/01/493511601.db2.gz PNXNLSOKHCSLOD-KLHKWILBSA-N 2 2 354.495 0.698 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)n2C ZINC000669622575 493514598 /nfs/dbraw/zinc/51/45/98/493514598.db2.gz FWVYVDABMCWXCE-UHFFFAOYSA-N 2 2 373.505 0.790 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)n2C ZINC000669622575 493514602 /nfs/dbraw/zinc/51/46/02/493514602.db2.gz FWVYVDABMCWXCE-UHFFFAOYSA-N 2 2 373.505 0.790 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662458002 493517976 /nfs/dbraw/zinc/51/79/76/493517976.db2.gz ORCJBFJQVZPDOS-HRCADAONSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662458002 493517978 /nfs/dbraw/zinc/51/79/78/493517978.db2.gz ORCJBFJQVZPDOS-HRCADAONSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662467842 493518430 /nfs/dbraw/zinc/51/84/30/493518430.db2.gz KIEOUDBJPFVMHA-LSDHHAIUSA-N 2 2 360.462 0.089 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662467842 493518434 /nfs/dbraw/zinc/51/84/34/493518434.db2.gz KIEOUDBJPFVMHA-LSDHHAIUSA-N 2 2 360.462 0.089 20 0 FCADLP CC[C@@H]1CN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C)C[C@@H]1[NH+]1CCOCC1 ZINC000662481601 493519736 /nfs/dbraw/zinc/51/97/36/493519736.db2.gz KUEYSSYRMLCLMC-PMPSAXMXSA-N 2 2 362.478 0.304 20 0 FCADLP CC[C@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000662664169 493530323 /nfs/dbraw/zinc/53/03/23/493530323.db2.gz SLPARWGHMAKQCL-INIZCTEOSA-N 2 2 368.503 0.949 20 0 FCADLP CN(C(=O)c1ccnc2c1nnn2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669896065 493532330 /nfs/dbraw/zinc/53/23/30/493532330.db2.gz NCSBGXHEEZMACH-AWEZNQCLSA-N 2 2 357.462 0.604 20 0 FCADLP CN(C(=O)c1ccnc2c1nnn2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669896065 493532332 /nfs/dbraw/zinc/53/23/32/493532332.db2.gz NCSBGXHEEZMACH-AWEZNQCLSA-N 2 2 357.462 0.604 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662694890 493532640 /nfs/dbraw/zinc/53/26/40/493532640.db2.gz CPKXIPFOFMUYPJ-ZIAGYGMSSA-N 2 2 367.437 0.853 20 0 FCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000662722250 493534760 /nfs/dbraw/zinc/53/47/60/493534760.db2.gz LTJIFRSXIYXTOT-IAGOWNOFSA-N 2 2 366.506 0.191 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662728102 493535584 /nfs/dbraw/zinc/53/55/84/493535584.db2.gz GOFAZINBEIXIHI-INIZCTEOSA-N 2 2 354.401 0.633 20 0 FCADLP CCC(CC)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000662752363 493537802 /nfs/dbraw/zinc/53/78/02/493537802.db2.gz XYSNBOPRNJLFAO-MRXNPFEDSA-N 2 2 351.451 0.394 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc(OC)c1 ZINC000662751585 493537826 /nfs/dbraw/zinc/53/78/26/493537826.db2.gz LPQYGCOTPDIWPV-MSOLQXFVSA-N 2 2 363.458 0.712 20 0 FCADLP Cn1cc[nH+]c1N1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000669978005 493537864 /nfs/dbraw/zinc/53/78/64/493537864.db2.gz CMRCXMYHNQUOAR-UHFFFAOYSA-N 2 2 371.507 0.031 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000662786588 493542083 /nfs/dbraw/zinc/54/20/83/493542083.db2.gz VZNLTNVAGFVLMW-QGZVFWFLSA-N 2 2 369.473 0.946 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662810264 493543810 /nfs/dbraw/zinc/54/38/10/493543810.db2.gz PNWRYPAKGGGHMF-YHUYYLMFSA-N 2 2 353.442 0.155 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662810264 493543812 /nfs/dbraw/zinc/54/38/12/493543812.db2.gz PNWRYPAKGGGHMF-YHUYYLMFSA-N 2 2 353.442 0.155 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CCN(CC(=O)Nc3nncs3)CC2)CC1 ZINC000676709743 493568370 /nfs/dbraw/zinc/56/83/70/493568370.db2.gz YZSAQPFHFBACQV-UHFFFAOYSA-N 2 2 352.508 0.967 20 0 FCADLP CCC[C@@H](O)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000676750345 493569984 /nfs/dbraw/zinc/56/99/84/493569984.db2.gz VYLSRGKNXXFDOO-QGZVFWFLSA-N 2 2 368.522 0.234 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000670535628 493577744 /nfs/dbraw/zinc/57/77/44/493577744.db2.gz CYODXVYJNYTNGI-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000670537107 493578279 /nfs/dbraw/zinc/57/82/79/493578279.db2.gz XQUGVSDCIZRDGF-UHFFFAOYSA-N 2 2 351.451 0.007 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670628949 493582054 /nfs/dbraw/zinc/58/20/54/493582054.db2.gz BMJMHPDMLODDGH-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670628949 493582056 /nfs/dbraw/zinc/58/20/56/493582056.db2.gz BMJMHPDMLODDGH-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670628949 493582058 /nfs/dbraw/zinc/58/20/58/493582058.db2.gz BMJMHPDMLODDGH-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670628949 493582061 /nfs/dbraw/zinc/58/20/61/493582061.db2.gz BMJMHPDMLODDGH-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000677114970 493585263 /nfs/dbraw/zinc/58/52/63/493585263.db2.gz UEHUAJQZYOPQLI-IXDOHACOSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000677114969 493585319 /nfs/dbraw/zinc/58/53/19/493585319.db2.gz UEHUAJQZYOPQLI-IKGGRYGDSA-N 2 2 359.474 0.901 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000663547843 493596625 /nfs/dbraw/zinc/59/66/25/493596625.db2.gz JNFVXANZDMKPTI-UHFFFAOYSA-N 2 2 360.462 0.538 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000670814400 493599559 /nfs/dbraw/zinc/59/95/59/493599559.db2.gz YZXOOMVTDZJQOI-RDJZCZTQSA-N 2 2 368.522 0.306 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cncc(N4CCOCC4)c3)C2)CC1 ZINC000677426096 493600728 /nfs/dbraw/zinc/60/07/28/493600728.db2.gz XZEAYZDHTSGCKP-KRWDZBQOSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cncc(N4CCOCC4)c3)C2)CC1 ZINC000677426096 493600731 /nfs/dbraw/zinc/60/07/31/493600731.db2.gz XZEAYZDHTSGCKP-KRWDZBQOSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663579398 493601032 /nfs/dbraw/zinc/60/10/32/493601032.db2.gz XVASHKWETWKKES-QGZVFWFLSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663579398 493601033 /nfs/dbraw/zinc/60/10/33/493601033.db2.gz XVASHKWETWKKES-QGZVFWFLSA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477075 493604017 /nfs/dbraw/zinc/60/40/17/493604017.db2.gz PCAVHOGOELRSCZ-NWDGAFQWSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477075 493604020 /nfs/dbraw/zinc/60/40/20/493604020.db2.gz PCAVHOGOELRSCZ-NWDGAFQWSA-N 2 2 352.401 0.767 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[NH+]1CCOCC1 ZINC000663621186 493605479 /nfs/dbraw/zinc/60/54/79/493605479.db2.gz DGPWSBNSBGZSTO-BRWVUGGUSA-N 2 2 366.506 0.650 20 0 FCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000677714523 493613419 /nfs/dbraw/zinc/61/34/19/493613419.db2.gz CGQYGSLEXBVVLQ-MRXNPFEDSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000677714523 493613422 /nfs/dbraw/zinc/61/34/22/493613422.db2.gz CGQYGSLEXBVVLQ-MRXNPFEDSA-N 2 2 374.485 0.345 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000670982773 493619201 /nfs/dbraw/zinc/61/92/01/493619201.db2.gz AGVVUPSDSQQIDQ-UHFFFAOYSA-N 2 2 355.442 0.830 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCSC1 ZINC000671071734 493629446 /nfs/dbraw/zinc/62/94/46/493629446.db2.gz NPGABVBKLODXFO-RHSMWYFYSA-N 2 2 365.503 0.600 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000678064101 493632408 /nfs/dbraw/zinc/63/24/08/493632408.db2.gz IIMPXYWUTXQCPF-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000671116798 493638128 /nfs/dbraw/zinc/63/81/28/493638128.db2.gz PSKJYCXLXBXJSL-WBVHZDCISA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000671116798 493638129 /nfs/dbraw/zinc/63/81/29/493638129.db2.gz PSKJYCXLXBXJSL-WBVHZDCISA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123192 493639128 /nfs/dbraw/zinc/63/91/28/493639128.db2.gz RXVBAGVSZJFKEB-KDOFPFPSSA-N 2 2 356.470 0.890 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123192 493639129 /nfs/dbraw/zinc/63/91/29/493639129.db2.gz RXVBAGVSZJFKEB-KDOFPFPSSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671123192 493639130 /nfs/dbraw/zinc/63/91/30/493639130.db2.gz RXVBAGVSZJFKEB-KDOFPFPSSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671123192 493639131 /nfs/dbraw/zinc/63/91/31/493639131.db2.gz RXVBAGVSZJFKEB-KDOFPFPSSA-N 2 2 356.470 0.890 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC[NH+](C)CC1 ZINC000671126822 493639695 /nfs/dbraw/zinc/63/96/95/493639695.db2.gz XIMUAAXEJNYRCM-CQSZACIVSA-N 2 2 361.490 0.725 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671126665 493639936 /nfs/dbraw/zinc/63/99/36/493639936.db2.gz ZGDPKHSGBXQAJR-MRXNPFEDSA-N 2 2 370.457 0.938 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000664191693 493643461 /nfs/dbraw/zinc/64/34/61/493643461.db2.gz VZHFKSBJYPUDLI-MSOLQXFVSA-N 2 2 368.522 0.851 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664218818 493645489 /nfs/dbraw/zinc/64/54/89/493645489.db2.gz GBEDSJFKSXUFQT-KZNAEPCWSA-N 2 2 369.554 0.668 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664218818 493645490 /nfs/dbraw/zinc/64/54/90/493645490.db2.gz GBEDSJFKSXUFQT-KZNAEPCWSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664218818 493645491 /nfs/dbraw/zinc/64/54/91/493645491.db2.gz GBEDSJFKSXUFQT-KZNAEPCWSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664218818 493645492 /nfs/dbraw/zinc/64/54/92/493645492.db2.gz GBEDSJFKSXUFQT-KZNAEPCWSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221821 493646072 /nfs/dbraw/zinc/64/60/72/493646072.db2.gz QUARQFPSIVTMAH-IXDOHACOSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221821 493646073 /nfs/dbraw/zinc/64/60/73/493646073.db2.gz QUARQFPSIVTMAH-IXDOHACOSA-N 2 2 355.527 0.278 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671181250 493648001 /nfs/dbraw/zinc/64/80/01/493648001.db2.gz BVOSBLLLGGVABX-ROUUACIJSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671181250 493648004 /nfs/dbraw/zinc/64/80/04/493648004.db2.gz BVOSBLLLGGVABX-ROUUACIJSA-N 2 2 356.470 0.861 20 0 FCADLP C[C@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000671344777 493657796 /nfs/dbraw/zinc/65/77/96/493657796.db2.gz VLGSRGDCRJXKFU-YOEHRIQHSA-N 2 2 371.441 0.324 20 0 FCADLP C[C@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671344777 493657799 /nfs/dbraw/zinc/65/77/99/493657799.db2.gz VLGSRGDCRJXKFU-YOEHRIQHSA-N 2 2 371.441 0.324 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671365617 493660612 /nfs/dbraw/zinc/66/06/12/493660612.db2.gz KHYLDLWMBYVSGY-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664472982 493661942 /nfs/dbraw/zinc/66/19/42/493661942.db2.gz IZUNCJSNMDNMNE-KURKYZTESA-N 2 2 366.506 0.480 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000664489425 493662881 /nfs/dbraw/zinc/66/28/81/493662881.db2.gz BBMRVILJAFDBET-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000664489425 493662883 /nfs/dbraw/zinc/66/28/83/493662883.db2.gz BBMRVILJAFDBET-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395528 493664677 /nfs/dbraw/zinc/66/46/77/493664677.db2.gz XTJRFVLUIWAVHU-UHFFFAOYSA-N 2 2 362.474 0.155 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(CCOCCO)C2CCC2)CC1 ZINC000664536987 493666409 /nfs/dbraw/zinc/66/64/09/493666409.db2.gz BMNONBUIMODDQH-UHFFFAOYSA-N 2 2 356.511 0.585 20 0 FCADLP Cc1occc1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671408015 493667855 /nfs/dbraw/zinc/66/78/55/493667855.db2.gz FMECPDCJKBYSKE-UHFFFAOYSA-N 2 2 362.474 0.879 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000679500155 493682901 /nfs/dbraw/zinc/68/29/01/493682901.db2.gz KTHDMWQODFOIQY-UHFFFAOYSA-N 2 2 351.370 0.829 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CC(N)=O)CC3)C2)CC1 ZINC000671582033 493692062 /nfs/dbraw/zinc/69/20/62/493692062.db2.gz XXKATUIZFQOZOC-HZPDHXFCSA-N 2 2 365.522 0.842 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CC(N)=O)CC3)C2)CC1 ZINC000671582033 493692064 /nfs/dbraw/zinc/69/20/64/493692064.db2.gz XXKATUIZFQOZOC-HZPDHXFCSA-N 2 2 365.522 0.842 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000679746927 493694474 /nfs/dbraw/zinc/69/44/74/493694474.db2.gz JJRUWYRWUZAFOI-UHFFFAOYSA-N 2 2 360.502 0.895 20 0 FCADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000665290502 493707923 /nfs/dbraw/zinc/70/79/23/493707923.db2.gz BNJOIZBXWZZHAW-LLVKDONJSA-N 2 2 365.459 0.742 20 0 FCADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000680259869 493711811 /nfs/dbraw/zinc/71/18/11/493711811.db2.gz JTVGVUNWRKAXJY-CQSZACIVSA-N 2 2 361.446 0.267 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000671950791 493717460 /nfs/dbraw/zinc/71/74/60/493717460.db2.gz TYBFLIXTXZZHAA-AWEZNQCLSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672007984 493723812 /nfs/dbraw/zinc/72/38/12/493723812.db2.gz GLTYWTUXGWMZHE-CQSZACIVSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672007984 493723813 /nfs/dbraw/zinc/72/38/13/493723813.db2.gz GLTYWTUXGWMZHE-CQSZACIVSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672012367 493724629 /nfs/dbraw/zinc/72/46/29/493724629.db2.gz RCDWBKPWUMUNPH-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672013904 493725045 /nfs/dbraw/zinc/72/50/45/493725045.db2.gz HQNNNUTZUHKXJM-OAHLLOKOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672013904 493725047 /nfs/dbraw/zinc/72/50/47/493725047.db2.gz HQNNNUTZUHKXJM-OAHLLOKOSA-N 2 2 368.522 0.402 20 0 FCADLP COCC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672044074 493726541 /nfs/dbraw/zinc/72/65/41/493726541.db2.gz BMZPEDURODWEHF-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP COCC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672044074 493726543 /nfs/dbraw/zinc/72/65/43/493726543.db2.gz BMZPEDURODWEHF-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000665688891 493730021 /nfs/dbraw/zinc/73/00/21/493730021.db2.gz XGUBWRQAYXGKAZ-GVDBMIGSSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000665688893 493730158 /nfs/dbraw/zinc/73/01/58/493730158.db2.gz XGUBWRQAYXGKAZ-YESZJQIVSA-N 2 2 361.490 0.985 20 0 FCADLP Cc1ncsc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672252994 493746497 /nfs/dbraw/zinc/74/64/97/493746497.db2.gz PZBQLLUJSCSTGH-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1ncsc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672252994 493746501 /nfs/dbraw/zinc/74/65/01/493746501.db2.gz PZBQLLUJSCSTGH-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP CC(C)OC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161227 493748151 /nfs/dbraw/zinc/74/81/51/493748151.db2.gz QNZUPGMMTRVPHW-SJLPKXTDSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)OC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161227 493748153 /nfs/dbraw/zinc/74/81/53/493748153.db2.gz QNZUPGMMTRVPHW-SJLPKXTDSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216411 493751457 /nfs/dbraw/zinc/75/14/57/493751457.db2.gz ZZRNJUCTHDSSQL-WMZOPIPTSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216411 493751458 /nfs/dbraw/zinc/75/14/58/493751458.db2.gz ZZRNJUCTHDSSQL-WMZOPIPTSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681216411 493751459 /nfs/dbraw/zinc/75/14/59/493751459.db2.gz ZZRNJUCTHDSSQL-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681216411 493751460 /nfs/dbraw/zinc/75/14/60/493751460.db2.gz ZZRNJUCTHDSSQL-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216411 493751461 /nfs/dbraw/zinc/75/14/61/493751461.db2.gz ZZRNJUCTHDSSQL-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216411 493751462 /nfs/dbraw/zinc/75/14/62/493751462.db2.gz ZZRNJUCTHDSSQL-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672305524 493751774 /nfs/dbraw/zinc/75/17/74/493751774.db2.gz RWXQQOALALWUET-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672305524 493751776 /nfs/dbraw/zinc/75/17/76/493751776.db2.gz RWXQQOALALWUET-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672305524 493751779 /nfs/dbraw/zinc/75/17/79/493751779.db2.gz RWXQQOALALWUET-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672305524 493751780 /nfs/dbraw/zinc/75/17/80/493751780.db2.gz RWXQQOALALWUET-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218792 493751862 /nfs/dbraw/zinc/75/18/62/493751862.db2.gz NENMGNDTUGAJNE-RCCFBDPRSA-N 2 2 368.522 0.990 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218792 493751863 /nfs/dbraw/zinc/75/18/63/493751863.db2.gz NENMGNDTUGAJNE-RCCFBDPRSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000410885027 533851782 /nfs/dbraw/zinc/85/17/82/533851782.db2.gz CYBAUNUQAQSECD-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000163381967 534069979 /nfs/dbraw/zinc/06/99/79/534069979.db2.gz TWIMICNEQZGASL-ZDUSSCGKSA-N 2 2 354.476 0.101 20 0 FCADLP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000163381967 534069989 /nfs/dbraw/zinc/06/99/89/534069989.db2.gz TWIMICNEQZGASL-ZDUSSCGKSA-N 2 2 354.476 0.101 20 0 FCADLP C[C@H]1N(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOC1(C)C ZINC000410666275 534117628 /nfs/dbraw/zinc/11/76/28/534117628.db2.gz YXTHONDNWBVSTN-OAHLLOKOSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@H]1N(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOC1(C)C ZINC000410666275 534117636 /nfs/dbraw/zinc/11/76/36/534117636.db2.gz YXTHONDNWBVSTN-OAHLLOKOSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000416808580 517913692 /nfs/dbraw/zinc/91/36/92/517913692.db2.gz IIWAJPMMEZXBEC-LSDHHAIUSA-N 2 2 363.462 0.488 20 0 FCADLP COC(=O)CCNC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441111249 536457769 /nfs/dbraw/zinc/45/77/69/536457769.db2.gz IYSVGGNIJIKRKB-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000410735704 527817183 /nfs/dbraw/zinc/81/71/83/527817183.db2.gz JXCPJBCCGBNJLN-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000410735704 527817185 /nfs/dbraw/zinc/81/71/85/527817185.db2.gz JXCPJBCCGBNJLN-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000410557410 527955839 /nfs/dbraw/zinc/95/58/39/527955839.db2.gz NGBUHPHCQMXSFA-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410983250 527956489 /nfs/dbraw/zinc/95/64/89/527956489.db2.gz PPWGDRBTPQLYCO-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410983250 527956494 /nfs/dbraw/zinc/95/64/94/527956494.db2.gz PPWGDRBTPQLYCO-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000410464555 527956652 /nfs/dbraw/zinc/95/66/52/527956652.db2.gz DQDSMVYSAAYULN-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410472717 527956795 /nfs/dbraw/zinc/95/67/95/527956795.db2.gz IAVVHDVXKCSJFM-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000410472717 527956797 /nfs/dbraw/zinc/95/67/97/527956797.db2.gz IAVVHDVXKCSJFM-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000175650263 527959416 /nfs/dbraw/zinc/95/94/16/527959416.db2.gz WCYJGERQEJRPCD-QGZVFWFLSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000193292227 528018121 /nfs/dbraw/zinc/01/81/21/528018121.db2.gz GXYPQSYNBFRECC-GOSISDBHSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000193292227 528018124 /nfs/dbraw/zinc/01/81/24/528018124.db2.gz GXYPQSYNBFRECC-GOSISDBHSA-N 2 2 369.554 0.668 20 0 FCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000410764466 528074113 /nfs/dbraw/zinc/07/41/13/528074113.db2.gz CMTGXTHDRPVBDF-MRXNPFEDSA-N 2 2 356.511 0.092 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000410847139 528147708 /nfs/dbraw/zinc/14/77/08/528147708.db2.gz VNKIRXWWKFFUIB-INIZCTEOSA-N 2 2 363.462 0.185 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000410885808 528248641 /nfs/dbraw/zinc/24/86/41/528248641.db2.gz DZUSTXKWFDHCON-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000410730127 528710601 /nfs/dbraw/zinc/71/06/01/528710601.db2.gz LOEIXTKIFVAPSF-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000410730127 528710604 /nfs/dbraw/zinc/71/06/04/528710604.db2.gz LOEIXTKIFVAPSF-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000410730127 528710612 /nfs/dbraw/zinc/71/06/12/528710612.db2.gz LOEIXTKIFVAPSF-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000410730127 528710619 /nfs/dbraw/zinc/71/06/19/528710619.db2.gz LOEIXTKIFVAPSF-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC[N@@H+]1C ZINC000410730383 528716879 /nfs/dbraw/zinc/71/68/79/528716879.db2.gz MJINNBFOKCKOTP-IRXDYDNUSA-N 2 2 360.458 0.860 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC[N@H+]1C ZINC000410730383 528716881 /nfs/dbraw/zinc/71/68/81/528716881.db2.gz MJINNBFOKCKOTP-IRXDYDNUSA-N 2 2 360.458 0.860 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410785179 528731540 /nfs/dbraw/zinc/73/15/40/528731540.db2.gz SSKBSLGORHWOGU-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410785179 528731545 /nfs/dbraw/zinc/73/15/45/528731545.db2.gz SSKBSLGORHWOGU-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C(C)C ZINC000410775385 528887242 /nfs/dbraw/zinc/88/72/42/528887242.db2.gz LICLUHDQRYTQRV-DLBZAZTESA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C(C)C ZINC000410775385 528887244 /nfs/dbraw/zinc/88/72/44/528887244.db2.gz LICLUHDQRYTQRV-DLBZAZTESA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000410834329 529028243 /nfs/dbraw/zinc/02/82/43/529028243.db2.gz JZBQDCQZJLZPCS-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967770 529130650 /nfs/dbraw/zinc/13/06/50/529130650.db2.gz NNFYQJUOADPAQX-OXQOHEQNSA-N 2 2 358.486 0.668 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967770 529130651 /nfs/dbraw/zinc/13/06/51/529130651.db2.gz NNFYQJUOADPAQX-OXQOHEQNSA-N 2 2 358.486 0.668 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772077 535109003 /nfs/dbraw/zinc/10/90/03/535109003.db2.gz UTVUYUVABIITKL-WFFDWFOESA-N 3 2 352.523 0.674 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772077 535109004 /nfs/dbraw/zinc/10/90/04/535109004.db2.gz UTVUYUVABIITKL-WFFDWFOESA-N 3 2 352.523 0.674 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772077 535109009 /nfs/dbraw/zinc/10/90/09/535109009.db2.gz UTVUYUVABIITKL-WFFDWFOESA-N 3 2 352.523 0.674 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772077 535109015 /nfs/dbraw/zinc/10/90/15/535109015.db2.gz UTVUYUVABIITKL-WFFDWFOESA-N 3 2 352.523 0.674 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000423701492 535602644 /nfs/dbraw/zinc/60/26/44/535602644.db2.gz WQWVQOKYTBSIJN-RRFJBIMHSA-N 2 2 362.478 0.343 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000440281995 535749504 /nfs/dbraw/zinc/74/95/04/535749504.db2.gz IMXKBJLEKFCOLL-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000440281995 535749505 /nfs/dbraw/zinc/74/95/05/535749505.db2.gz IMXKBJLEKFCOLL-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP COCCO[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000436132239 536582184 /nfs/dbraw/zinc/58/21/84/536582184.db2.gz SPRFWGWAAGCYIH-SFHVURJKSA-N 2 2 368.522 0.992 20 0 FCADLP COC(=O)CSCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817222 546534726 /nfs/dbraw/zinc/53/47/26/546534726.db2.gz BWJYDFYSJIHTGA-HNNXBMFYSA-N 2 2 357.520 0.910 20 0 FCADLP COC(=O)CSCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817222 546534733 /nfs/dbraw/zinc/53/47/33/546534733.db2.gz BWJYDFYSJIHTGA-HNNXBMFYSA-N 2 2 357.520 0.910 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000124261010 546545634 /nfs/dbraw/zinc/54/56/34/546545634.db2.gz PHPRFAKXVQABSO-UHFFFAOYSA-N 2 2 351.432 0.491 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000124261010 546545636 /nfs/dbraw/zinc/54/56/36/546545636.db2.gz PHPRFAKXVQABSO-UHFFFAOYSA-N 2 2 351.432 0.491 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000592472068 546650923 /nfs/dbraw/zinc/65/09/23/546650923.db2.gz HNQAKWNDMUACEF-AWEZNQCLSA-N 2 2 350.463 0.826 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000592472068 546650927 /nfs/dbraw/zinc/65/09/27/546650927.db2.gz HNQAKWNDMUACEF-AWEZNQCLSA-N 2 2 350.463 0.826 20 0 FCADLP COC(=O)CCN1CC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1=O ZINC000594728074 546823557 /nfs/dbraw/zinc/82/35/57/546823557.db2.gz GEFSKWHZIFKBGJ-MRXNPFEDSA-N 2 2 355.479 0.629 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152478903 546918469 /nfs/dbraw/zinc/91/84/69/546918469.db2.gz WQZOUHGXNPNYIM-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152478903 546918473 /nfs/dbraw/zinc/91/84/73/546918473.db2.gz WQZOUHGXNPNYIM-RDJZCZTQSA-N 2 2 354.495 0.459 20 0 FCADLP COC1([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000641788337 546956818 /nfs/dbraw/zinc/95/68/18/546956818.db2.gz YJRXTFSKRGNKLA-ROUUACIJSA-N 2 2 355.523 0.957 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000649308107 547072188 /nfs/dbraw/zinc/07/21/88/547072188.db2.gz KTKJHKGPYUHNHO-ZSHCYNCHSA-N 2 2 364.471 0.027 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)CC1 ZINC000649308197 547074485 /nfs/dbraw/zinc/07/44/85/547074485.db2.gz RQMCJQPGVUVEIS-DYVFJYSZSA-N 2 2 364.471 0.313 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000550134894 547078851 /nfs/dbraw/zinc/07/88/51/547078851.db2.gz HXKWNYILPVGMMR-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP O=C(C[NH+]1CCC(OCCO)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000550572882 547091590 /nfs/dbraw/zinc/09/15/90/547091590.db2.gz MTPSYWBECWDRPT-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000550663225 547095497 /nfs/dbraw/zinc/09/54/97/547095497.db2.gz JGAPSYLVFNYYGB-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000550663225 547095502 /nfs/dbraw/zinc/09/55/02/547095502.db2.gz JGAPSYLVFNYYGB-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000550663225 547095505 /nfs/dbraw/zinc/09/55/05/547095505.db2.gz JGAPSYLVFNYYGB-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCC[NH+](CCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000550663225 547095510 /nfs/dbraw/zinc/09/55/10/547095510.db2.gz JGAPSYLVFNYYGB-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000550687459 547097937 /nfs/dbraw/zinc/09/79/37/547097937.db2.gz YITNEUCQTTWKQE-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCC[NH+]1CCSCC1 ZINC000550957690 547116695 /nfs/dbraw/zinc/11/66/95/547116695.db2.gz OCOYDBOPRSQPBT-UHFFFAOYSA-N 2 2 365.503 0.043 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)C[C@H](C)O1 ZINC000552586859 547218022 /nfs/dbraw/zinc/21/80/22/547218022.db2.gz PABWNESOXNKUEE-LZWOXQAQSA-N 2 2 353.463 0.334 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)C[C@H](C)O1 ZINC000552586859 547218028 /nfs/dbraw/zinc/21/80/28/547218028.db2.gz PABWNESOXNKUEE-LZWOXQAQSA-N 2 2 353.463 0.334 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000552984808 547244312 /nfs/dbraw/zinc/24/43/12/547244312.db2.gz HHINAGIWVITAPR-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000552984808 547244315 /nfs/dbraw/zinc/24/43/15/547244315.db2.gz HHINAGIWVITAPR-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000552984808 547244318 /nfs/dbraw/zinc/24/43/18/547244318.db2.gz HHINAGIWVITAPR-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000552984808 547244322 /nfs/dbraw/zinc/24/43/22/547244322.db2.gz HHINAGIWVITAPR-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000553617410 547294351 /nfs/dbraw/zinc/29/43/51/547294351.db2.gz BVWHLXRKFHPKMD-KKUMJFAQSA-N 2 2 356.511 0.304 20 0 FCADLP CN(CC[N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000177377945 547320576 /nfs/dbraw/zinc/32/05/76/547320576.db2.gz MOXHYMULRBJWTN-UHFFFAOYSA-N 2 2 367.416 0.332 20 0 FCADLP CN(CC[N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000177377945 547320579 /nfs/dbraw/zinc/32/05/79/547320579.db2.gz MOXHYMULRBJWTN-UHFFFAOYSA-N 2 2 367.416 0.332 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(=O)NCC(F)(F)F ZINC000177377945 547320581 /nfs/dbraw/zinc/32/05/81/547320581.db2.gz MOXHYMULRBJWTN-UHFFFAOYSA-N 2 2 367.416 0.332 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(=O)NCC(F)(F)F ZINC000177377945 547320584 /nfs/dbraw/zinc/32/05/84/547320584.db2.gz MOXHYMULRBJWTN-UHFFFAOYSA-N 2 2 367.416 0.332 20 0 FCADLP Cc1ncsc1CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000172431328 547400577 /nfs/dbraw/zinc/40/05/77/547400577.db2.gz XMYJZMVKLGGQRG-UHFFFAOYSA-N 2 2 373.548 0.104 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cnon3)CC2)O1 ZINC000948541156 674380382 /nfs/dbraw/zinc/38/03/82/674380382.db2.gz CTBPGCMZCHXCNI-FVQBIDKESA-N 2 2 351.451 0.602 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3cnon3)CC2)O1 ZINC000948541156 674380380 /nfs/dbraw/zinc/38/03/80/674380380.db2.gz CTBPGCMZCHXCNI-FVQBIDKESA-N 2 2 351.451 0.602 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3cnon3)CC2)O1 ZINC000948541156 674380384 /nfs/dbraw/zinc/38/03/84/674380384.db2.gz CTBPGCMZCHXCNI-FVQBIDKESA-N 2 2 351.451 0.602 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3cnon3)CC2)O1 ZINC000948541156 674380389 /nfs/dbraw/zinc/38/03/89/674380389.db2.gz CTBPGCMZCHXCNI-FVQBIDKESA-N 2 2 351.451 0.602 20 0 FCADLP NC(=O)[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737729877 599289521 /nfs/dbraw/zinc/28/95/21/599289521.db2.gz FAHOIGNNZAJYBN-KGLIPLIRSA-N 2 2 352.402 0.757 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736868926 598447238 /nfs/dbraw/zinc/44/72/38/598447238.db2.gz VRHRGQSQPZVOPG-UHFFFAOYSA-N 2 2 365.401 0.661 20 0 FCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736247721 598531537 /nfs/dbraw/zinc/53/15/37/598531537.db2.gz GUVADPWZLHIGSM-MJBXVCDLSA-N 2 2 359.482 0.957 20 0 FCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736247721 598531539 /nfs/dbraw/zinc/53/15/39/598531539.db2.gz GUVADPWZLHIGSM-MJBXVCDLSA-N 2 2 359.482 0.957 20 0 FCADLP Cc1nnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1C ZINC000737523438 598773293 /nfs/dbraw/zinc/77/32/93/598773293.db2.gz XOKHNSDITAZABC-ZDUSSCGKSA-N 2 2 357.466 0.854 20 0 FCADLP Cc1nnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1C ZINC000737523438 598773291 /nfs/dbraw/zinc/77/32/91/598773291.db2.gz XOKHNSDITAZABC-ZDUSSCGKSA-N 2 2 357.466 0.854 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000821586169 599698017 /nfs/dbraw/zinc/69/80/17/599698017.db2.gz MRKDGAHICWGRBD-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000821586169 599698018 /nfs/dbraw/zinc/69/80/18/599698018.db2.gz MRKDGAHICWGRBD-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP C[C@H](C(=O)NCC(=O)[O-])[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000826000047 601156141 /nfs/dbraw/zinc/15/61/41/601156141.db2.gz LUFBXKYYAXLPTB-OAHLLOKOSA-N 2 2 368.522 0.704 20 0 FCADLP C[C@H](C(=O)NCC(=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000826000047 601156143 /nfs/dbraw/zinc/15/61/43/601156143.db2.gz LUFBXKYYAXLPTB-OAHLLOKOSA-N 2 2 368.522 0.704 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC000833687237 605222629 /nfs/dbraw/zinc/22/26/29/605222629.db2.gz AKSLCDSUKOBLQY-UHFFFAOYSA-N 2 2 368.522 0.848 20 0 FCADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)([NH+]2CCCCC2)CC1 ZINC000826021619 607743663 /nfs/dbraw/zinc/74/36/63/607743663.db2.gz AMQIDTLHCUGTGJ-UHFFFAOYSA-N 2 2 372.477 0.875 20 0 FCADLP CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000956581826 674527021 /nfs/dbraw/zinc/52/70/21/674527021.db2.gz UEDRYVKXMQYCFY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000956581826 674527022 /nfs/dbraw/zinc/52/70/22/674527022.db2.gz UEDRYVKXMQYCFY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822698843 606067860 /nfs/dbraw/zinc/06/78/60/606067860.db2.gz HYHLUTLHTWKQRM-UHFFFAOYSA-N 2 2 354.418 0.801 20 0 FCADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822850442 606078847 /nfs/dbraw/zinc/07/88/47/606078847.db2.gz HQOXIVOEOMZUKP-KBPBESRZSA-N 2 2 352.402 0.996 20 0 FCADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822850442 606078850 /nfs/dbraw/zinc/07/88/50/606078850.db2.gz HQOXIVOEOMZUKP-KBPBESRZSA-N 2 2 352.402 0.996 20 0 FCADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CCSC1 ZINC000821581812 606238160 /nfs/dbraw/zinc/23/81/60/606238160.db2.gz VFLBJEHBZLFBDE-ABAIWWIYSA-N 2 2 363.495 0.132 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821576001 606414792 /nfs/dbraw/zinc/41/47/92/606414792.db2.gz YAUOTTYZYIJOPQ-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821576001 606414793 /nfs/dbraw/zinc/41/47/93/606414793.db2.gz YAUOTTYZYIJOPQ-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623752 607073929 /nfs/dbraw/zinc/07/39/29/607073929.db2.gz RRVMARGCFQSGQI-INIZCTEOSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000821623752 607073930 /nfs/dbraw/zinc/07/39/30/607073930.db2.gz RRVMARGCFQSGQI-INIZCTEOSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623960 607074170 /nfs/dbraw/zinc/07/41/70/607074170.db2.gz WHIOWEPNRCULGE-MRXNPFEDSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821623960 607074172 /nfs/dbraw/zinc/07/41/72/607074172.db2.gz WHIOWEPNRCULGE-MRXNPFEDSA-N 2 2 355.446 0.605 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824992331 608170733 /nfs/dbraw/zinc/17/07/33/608170733.db2.gz MFFKHTGZBCTWQM-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824992331 608170735 /nfs/dbraw/zinc/17/07/35/608170735.db2.gz MFFKHTGZBCTWQM-PBHICJAKSA-N 2 2 356.478 0.720 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825938894 608418553 /nfs/dbraw/zinc/41/85/53/608418553.db2.gz YPDQOLWBRRIVKL-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000825938894 608418554 /nfs/dbraw/zinc/41/85/54/608418554.db2.gz YPDQOLWBRRIVKL-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000729605042 665734662 /nfs/dbraw/zinc/73/46/62/665734662.db2.gz HHYUBZQOVQDGGY-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000729605042 665734665 /nfs/dbraw/zinc/73/46/65/665734665.db2.gz HHYUBZQOVQDGGY-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1)CCC(F)(F)F ZINC000897985791 665793477 /nfs/dbraw/zinc/79/34/77/665793477.db2.gz QSTQPINXKVWWRU-UHFFFAOYSA-N 2 2 366.428 0.930 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1)CCC(F)(F)F ZINC000897985791 665793480 /nfs/dbraw/zinc/79/34/80/665793480.db2.gz QSTQPINXKVWWRU-UHFFFAOYSA-N 2 2 366.428 0.930 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000897985791 665793482 /nfs/dbraw/zinc/79/34/82/665793482.db2.gz QSTQPINXKVWWRU-UHFFFAOYSA-N 2 2 366.428 0.930 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000897985791 665793484 /nfs/dbraw/zinc/79/34/84/665793484.db2.gz QSTQPINXKVWWRU-UHFFFAOYSA-N 2 2 366.428 0.930 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000899231688 665933236 /nfs/dbraw/zinc/93/32/36/665933236.db2.gz XBYWNZAMFXVRGU-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231688 665933238 /nfs/dbraw/zinc/93/32/38/665933238.db2.gz XBYWNZAMFXVRGU-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231688 665933242 /nfs/dbraw/zinc/93/32/42/665933242.db2.gz XBYWNZAMFXVRGU-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP [NH3+]CC12CCC(CC1)N2C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000891411513 663385676 /nfs/dbraw/zinc/38/56/76/663385676.db2.gz KRDUOODWIMJDTM-BDVYOWHSSA-N 2 2 354.520 0.860 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891512628 663411108 /nfs/dbraw/zinc/41/11/08/663411108.db2.gz RWRHDVSIEKUVKI-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891512628 663411110 /nfs/dbraw/zinc/41/11/10/663411110.db2.gz RWRHDVSIEKUVKI-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450142 663628257 /nfs/dbraw/zinc/62/82/57/663628257.db2.gz FJGZBBKUXFIGAF-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450142 663628258 /nfs/dbraw/zinc/62/82/58/663628258.db2.gz FJGZBBKUXFIGAF-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450142 663628260 /nfs/dbraw/zinc/62/82/60/663628260.db2.gz FJGZBBKUXFIGAF-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450142 663628262 /nfs/dbraw/zinc/62/82/62/663628262.db2.gz FJGZBBKUXFIGAF-BPLDGKMQSA-N 2 2 367.519 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cn(C)nn2)O1 ZINC001024999833 664034345 /nfs/dbraw/zinc/03/43/45/664034345.db2.gz BVZBPGMPNRSHBR-FVQBIDKESA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cn(C)nn2)O1 ZINC001024999833 664034347 /nfs/dbraw/zinc/03/43/47/664034347.db2.gz BVZBPGMPNRSHBR-FVQBIDKESA-N 2 2 350.467 0.005 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892758263 664137765 /nfs/dbraw/zinc/13/77/65/664137765.db2.gz OMVKKYJXDLFXKZ-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892758263 664137766 /nfs/dbraw/zinc/13/77/66/664137766.db2.gz OMVKKYJXDLFXKZ-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892758263 664137770 /nfs/dbraw/zinc/13/77/70/664137770.db2.gz OMVKKYJXDLFXKZ-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000892758263 664137773 /nfs/dbraw/zinc/13/77/73/664137773.db2.gz OMVKKYJXDLFXKZ-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@]1(Br)C[C@@H]1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000893355450 664249372 /nfs/dbraw/zinc/24/93/72/664249372.db2.gz ZILRXJLOMGXWSE-IPYPFGDCSA-N 2 2 360.296 0.683 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cnns4)C[C@H]32)O1 ZINC000978316549 664434861 /nfs/dbraw/zinc/43/48/61/664434861.db2.gz AXAXJFSITOAUOW-DVLUHMITSA-N 2 2 351.476 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cnns4)C[C@H]32)O1 ZINC000978316549 664434863 /nfs/dbraw/zinc/43/48/63/664434863.db2.gz AXAXJFSITOAUOW-DVLUHMITSA-N 2 2 351.476 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)O1 ZINC000978316549 664434865 /nfs/dbraw/zinc/43/48/65/664434865.db2.gz AXAXJFSITOAUOW-DVLUHMITSA-N 2 2 351.476 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)O1 ZINC000978316549 664434867 /nfs/dbraw/zinc/43/48/67/664434867.db2.gz AXAXJFSITOAUOW-DVLUHMITSA-N 2 2 351.476 0.051 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000893742631 664873261 /nfs/dbraw/zinc/87/32/61/664873261.db2.gz KYEYNBHXFRNVDO-OIISXLGYSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000893742631 664873263 /nfs/dbraw/zinc/87/32/63/664873263.db2.gz KYEYNBHXFRNVDO-OIISXLGYSA-N 2 2 354.495 0.384 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Br)nnn1C ZINC000319469231 664892077 /nfs/dbraw/zinc/89/20/77/664892077.db2.gz REKZIYDBUCEAAE-UHFFFAOYSA-N 2 2 373.299 0.676 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Br)nnn1C ZINC000319469231 664892080 /nfs/dbraw/zinc/89/20/80/664892080.db2.gz REKZIYDBUCEAAE-UHFFFAOYSA-N 2 2 373.299 0.676 20 0 FCADLP CC1(C)COC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000894183608 664911907 /nfs/dbraw/zinc/91/19/07/664911907.db2.gz ZPVJPYRLPQTEER-HNNXBMFYSA-N 2 2 368.503 0.548 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028625986 664930527 /nfs/dbraw/zinc/93/05/27/664930527.db2.gz BGHJPUHORCDHCX-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028625986 664930528 /nfs/dbraw/zinc/93/05/28/664930528.db2.gz BGHJPUHORCDHCX-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028625986 664930529 /nfs/dbraw/zinc/93/05/29/664930529.db2.gz BGHJPUHORCDHCX-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028625986 664930530 /nfs/dbraw/zinc/93/05/30/664930530.db2.gz BGHJPUHORCDHCX-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028629451 664931059 /nfs/dbraw/zinc/93/10/59/664931059.db2.gz MSCLQJCPNZZRTH-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028629451 664931060 /nfs/dbraw/zinc/93/10/60/664931060.db2.gz MSCLQJCPNZZRTH-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028629451 664931061 /nfs/dbraw/zinc/93/10/61/664931061.db2.gz MSCLQJCPNZZRTH-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028629451 664931064 /nfs/dbraw/zinc/93/10/64/664931064.db2.gz MSCLQJCPNZZRTH-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP C[C@@H]([NH2+]Cc1cnsn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029112200 664986489 /nfs/dbraw/zinc/98/64/89/664986489.db2.gz XMHZEDFIZJUCJE-XJKCOSOUSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@@H]([NH2+]Cc1cnsn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029112200 664986491 /nfs/dbraw/zinc/98/64/91/664986491.db2.gz XMHZEDFIZJUCJE-XJKCOSOUSA-N 2 2 367.519 0.974 20 0 FCADLP Cc1nnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000985492033 665171041 /nfs/dbraw/zinc/17/10/41/665171041.db2.gz KJHWCHIZRKGOCL-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)s1 ZINC000985492033 665171043 /nfs/dbraw/zinc/17/10/43/665171043.db2.gz KJHWCHIZRKGOCL-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)s1 ZINC000985492033 665171044 /nfs/dbraw/zinc/17/10/44/665171044.db2.gz KJHWCHIZRKGOCL-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)s1 ZINC000985492033 665171046 /nfs/dbraw/zinc/17/10/46/665171046.db2.gz KJHWCHIZRKGOCL-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000985491084 665171065 /nfs/dbraw/zinc/17/10/65/665171065.db2.gz AKGJXIWLUJCYRJ-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nnc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000985491084 665171066 /nfs/dbraw/zinc/17/10/66/665171066.db2.gz AKGJXIWLUJCYRJ-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nnc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC000985491084 665171067 /nfs/dbraw/zinc/17/10/67/665171067.db2.gz AKGJXIWLUJCYRJ-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nnc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC000985491084 665171069 /nfs/dbraw/zinc/17/10/69/665171069.db2.gz AKGJXIWLUJCYRJ-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001029767600 665171232 /nfs/dbraw/zinc/17/12/32/665171232.db2.gz VRSFJAVLEHJJGL-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001029767600 665171235 /nfs/dbraw/zinc/17/12/35/665171235.db2.gz VRSFJAVLEHJJGL-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001029767600 665171238 /nfs/dbraw/zinc/17/12/38/665171238.db2.gz VRSFJAVLEHJJGL-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001029767600 665171240 /nfs/dbraw/zinc/17/12/40/665171240.db2.gz VRSFJAVLEHJJGL-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766857 665171314 /nfs/dbraw/zinc/17/13/14/665171314.db2.gz HUGJHVVICBNGLM-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnsc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766857 665171316 /nfs/dbraw/zinc/17/13/16/665171316.db2.gz HUGJHVVICBNGLM-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766857 665171317 /nfs/dbraw/zinc/17/13/17/665171317.db2.gz HUGJHVVICBNGLM-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnsc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766857 665171318 /nfs/dbraw/zinc/17/13/18/665171318.db2.gz HUGJHVVICBNGLM-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@]1(O)CCOC1 ZINC000905051489 666002409 /nfs/dbraw/zinc/00/24/09/666002409.db2.gz CTSUGWADMJAGHU-OALUTQOASA-N 2 2 350.459 0.511 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000908201273 666193865 /nfs/dbraw/zinc/19/38/65/666193865.db2.gz DASJMRKRBMRQQY-MRXNPFEDSA-N 2 2 350.463 0.007 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911000917 666304373 /nfs/dbraw/zinc/30/43/73/666304373.db2.gz DWNDVEJAOBCDRZ-HNNXBMFYSA-N 2 2 364.515 0.871 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911000917 666304377 /nfs/dbraw/zinc/30/43/77/666304377.db2.gz DWNDVEJAOBCDRZ-HNNXBMFYSA-N 2 2 364.515 0.871 20 0 FCADLP CC(C)=CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031868902 666538002 /nfs/dbraw/zinc/53/80/02/666538002.db2.gz MIABJHIRQBKWLF-MSOLQXFVSA-N 2 2 351.491 0.880 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000168555921 666579044 /nfs/dbraw/zinc/57/90/44/666579044.db2.gz IOBVNCCDIYUTHW-JKSUJKDBSA-N 2 2 359.536 0.909 20 0 FCADLP O=C(NC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961311159 674753587 /nfs/dbraw/zinc/75/35/87/674753587.db2.gz HYTCLAFQHUZUTD-OOHRUMOKSA-N 2 2 369.893 0.665 20 0 FCADLP O=C(NC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961311159 674753591 /nfs/dbraw/zinc/75/35/91/674753591.db2.gz HYTCLAFQHUZUTD-OOHRUMOKSA-N 2 2 369.893 0.665 20 0 FCADLP CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731755308 666837496 /nfs/dbraw/zinc/83/74/96/666837496.db2.gz IZODFIXVUJWSLR-UHFFFAOYSA-N 2 2 360.524 0.279 20 0 FCADLP C[NH+](C)CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761119 666838653 /nfs/dbraw/zinc/83/86/53/666838653.db2.gz SSPIZRRWTNIYPR-UHFFFAOYSA-N 2 2 374.551 0.479 20 0 FCADLP CN(C(=O)N1CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000732232920 666863449 /nfs/dbraw/zinc/86/34/49/666863449.db2.gz SSMAFEQKAOWJBY-UHFFFAOYSA-N 2 2 351.495 0.372 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CCO1 ZINC000915854610 666897791 /nfs/dbraw/zinc/89/77/91/666897791.db2.gz PZNUWXQTTYEPAY-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)CCO1 ZINC000915854610 666897794 /nfs/dbraw/zinc/89/77/94/666897794.db2.gz PZNUWXQTTYEPAY-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CCO1 ZINC000915854610 666897797 /nfs/dbraw/zinc/89/77/97/666897797.db2.gz PZNUWXQTTYEPAY-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CCO1 ZINC000915854610 666897800 /nfs/dbraw/zinc/89/78/00/666897800.db2.gz PZNUWXQTTYEPAY-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000998983681 667225134 /nfs/dbraw/zinc/22/51/34/667225134.db2.gz PVXNMUCYBXDNQB-NEQJSVFRSA-N 2 2 369.897 0.872 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000998983681 667225140 /nfs/dbraw/zinc/22/51/40/667225140.db2.gz PVXNMUCYBXDNQB-NEQJSVFRSA-N 2 2 369.897 0.872 20 0 FCADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000998985510 667225320 /nfs/dbraw/zinc/22/53/20/667225320.db2.gz YVUUDRXBVWWMCI-WKIYYKSKSA-N 2 2 353.492 0.645 20 0 FCADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000998985510 667225324 /nfs/dbraw/zinc/22/53/24/667225324.db2.gz YVUUDRXBVWWMCI-WKIYYKSKSA-N 2 2 353.492 0.645 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000920453372 667240916 /nfs/dbraw/zinc/24/09/16/667240916.db2.gz ZGAJSFIBHSUQED-IAGOWNOFSA-N 2 2 355.527 0.280 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999493946 667241338 /nfs/dbraw/zinc/24/13/38/667241338.db2.gz GLTHTTKPRFBDCB-BPLDGKMQSA-N 2 2 368.503 0.951 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999493946 667241341 /nfs/dbraw/zinc/24/13/41/667241341.db2.gz GLTHTTKPRFBDCB-BPLDGKMQSA-N 2 2 368.503 0.951 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999769731 667248049 /nfs/dbraw/zinc/24/80/49/667248049.db2.gz GDOXIWZPQNNLIL-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031683875 667268348 /nfs/dbraw/zinc/26/83/48/667268348.db2.gz AQWVNWVLCKKIKF-HYVNUMGLSA-N 2 2 371.547 0.590 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031683875 667268351 /nfs/dbraw/zinc/26/83/51/667268351.db2.gz AQWVNWVLCKKIKF-HYVNUMGLSA-N 2 2 371.547 0.590 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000922203888 667616288 /nfs/dbraw/zinc/61/62/88/667616288.db2.gz XUXZRJLGJHMTNY-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000922203888 667616292 /nfs/dbraw/zinc/61/62/92/667616292.db2.gz XUXZRJLGJHMTNY-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000922203887 667616499 /nfs/dbraw/zinc/61/64/99/667616499.db2.gz XUXZRJLGJHMTNY-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000922203887 667616503 /nfs/dbraw/zinc/61/65/03/667616503.db2.gz XUXZRJLGJHMTNY-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755778472 667648100 /nfs/dbraw/zinc/64/81/00/667648100.db2.gz GMCBYIZUMDMYAE-AWEZNQCLSA-N 2 2 366.535 0.990 20 0 FCADLP Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755778472 667648103 /nfs/dbraw/zinc/64/81/03/667648103.db2.gz GMCBYIZUMDMYAE-AWEZNQCLSA-N 2 2 366.535 0.990 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185357 667713422 /nfs/dbraw/zinc/71/34/22/667713422.db2.gz OLQXBQGJYXOACC-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185357 667713426 /nfs/dbraw/zinc/71/34/26/667713426.db2.gz OLQXBQGJYXOACC-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033185357 667713431 /nfs/dbraw/zinc/71/34/31/667713431.db2.gz OLQXBQGJYXOACC-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033185357 667713433 /nfs/dbraw/zinc/71/34/33/667713433.db2.gz OLQXBQGJYXOACC-FRFSOERESA-N 2 2 350.463 0.989 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3COC(C)(C)OC3)CC2)CC1 ZINC000758434001 667759421 /nfs/dbraw/zinc/75/94/21/667759421.db2.gz YMHBTMTZMIDHJQ-UHFFFAOYSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426416 667780063 /nfs/dbraw/zinc/78/00/63/667780063.db2.gz XRAGMHKHTMWGJM-VHDGCEQUSA-N 2 2 361.433 0.568 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426416 667780065 /nfs/dbraw/zinc/78/00/65/667780065.db2.gz XRAGMHKHTMWGJM-VHDGCEQUSA-N 2 2 361.433 0.568 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426416 667780068 /nfs/dbraw/zinc/78/00/68/667780068.db2.gz XRAGMHKHTMWGJM-VHDGCEQUSA-N 2 2 361.433 0.568 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CC3CC(F)(F)C3)CCO2)O1 ZINC001035426416 667780071 /nfs/dbraw/zinc/78/00/71/667780071.db2.gz XRAGMHKHTMWGJM-VHDGCEQUSA-N 2 2 361.433 0.568 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000923323069 667825226 /nfs/dbraw/zinc/82/52/26/667825226.db2.gz PUVFKAMOUQSKOC-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000923323068 667825394 /nfs/dbraw/zinc/82/53/94/667825394.db2.gz PUVFKAMOUQSKOC-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)NC4(CCSCC4)C3=O)C2)CC1 ZINC000761307640 667886381 /nfs/dbraw/zinc/88/63/81/667886381.db2.gz ZKQRMIBZWJHPFN-AWEZNQCLSA-N 2 2 352.504 0.973 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)NC4(CCSCC4)C3=O)C2)CC1 ZINC000761307640 667886382 /nfs/dbraw/zinc/88/63/82/667886382.db2.gz ZKQRMIBZWJHPFN-AWEZNQCLSA-N 2 2 352.504 0.973 20 0 FCADLP CN(C(=O)NC[C@H]1COC(C)(C)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771778358 668273377 /nfs/dbraw/zinc/27/33/77/668273377.db2.gz PBKYSDIEGQWNJB-CVEARBPZSA-N 2 2 354.495 0.948 20 0 FCADLP CN(C(=O)NC[C@H]1COC(C)(C)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771778358 668273379 /nfs/dbraw/zinc/27/33/79/668273379.db2.gz PBKYSDIEGQWNJB-CVEARBPZSA-N 2 2 354.495 0.948 20 0 FCADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000778214085 668355898 /nfs/dbraw/zinc/35/58/98/668355898.db2.gz AFNLZKBLAQJGGE-HNNXBMFYSA-N 2 2 351.447 0.462 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000782405083 668559877 /nfs/dbraw/zinc/55/98/77/668559877.db2.gz JSAZKUQLBHNZQC-MRXNPFEDSA-N 2 2 370.563 0.768 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000782615831 668571529 /nfs/dbraw/zinc/57/15/29/668571529.db2.gz JJCAHTBMUNFXTR-AEFFLSMTSA-N 2 2 351.491 0.452 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[C@@]2(CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000782615831 668571530 /nfs/dbraw/zinc/57/15/30/668571530.db2.gz JJCAHTBMUNFXTR-AEFFLSMTSA-N 2 2 351.491 0.452 20 0 FCADLP CN(c1cncc(Cl)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000788535435 668831851 /nfs/dbraw/zinc/83/18/51/668831851.db2.gz QSFCNGGOUNKHCO-UHFFFAOYSA-N 2 2 366.897 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](C2CC2)C1 ZINC000820873641 669136665 /nfs/dbraw/zinc/13/66/65/669136665.db2.gz GOQRKSHHFVZDCE-JQHSSLGASA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](C2CC2)C1 ZINC000820873641 669136673 /nfs/dbraw/zinc/13/66/73/669136673.db2.gz GOQRKSHHFVZDCE-JQHSSLGASA-N 2 2 351.491 0.809 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806210373 669398509 /nfs/dbraw/zinc/39/85/09/669398509.db2.gz OGJXMPNUNQSCCW-KGLIPLIRSA-N 2 2 356.536 0.529 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806210373 669398513 /nfs/dbraw/zinc/39/85/13/669398513.db2.gz OGJXMPNUNQSCCW-KGLIPLIRSA-N 2 2 356.536 0.529 20 0 FCADLP COC(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000827413511 669565827 /nfs/dbraw/zinc/56/58/27/669565827.db2.gz HXXUBUCQQMTQRT-HNNXBMFYSA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000827413511 669565830 /nfs/dbraw/zinc/56/58/30/669565830.db2.gz HXXUBUCQQMTQRT-HNNXBMFYSA-N 2 2 352.479 0.750 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809616291 669634139 /nfs/dbraw/zinc/63/41/39/669634139.db2.gz MABPPGVTLZLEPM-LBPRGKRZSA-N 2 2 354.476 0.866 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809616291 669634141 /nfs/dbraw/zinc/63/41/41/669634141.db2.gz MABPPGVTLZLEPM-LBPRGKRZSA-N 2 2 354.476 0.866 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CC1 ZINC000831563452 669853479 /nfs/dbraw/zinc/85/34/79/669853479.db2.gz OIGVHAHOXKGWLK-STQMWFEESA-N 2 2 362.396 0.103 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CC1 ZINC000831563452 669853483 /nfs/dbraw/zinc/85/34/83/669853483.db2.gz OIGVHAHOXKGWLK-STQMWFEESA-N 2 2 362.396 0.103 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000815143405 669900672 /nfs/dbraw/zinc/90/06/72/669900672.db2.gz KHBAXRJNPYQUJK-SFHVURJKSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000815143405 669900676 /nfs/dbraw/zinc/90/06/76/669900676.db2.gz KHBAXRJNPYQUJK-SFHVURJKSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000815143405 669900679 /nfs/dbraw/zinc/90/06/79/669900679.db2.gz KHBAXRJNPYQUJK-SFHVURJKSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000815143405 669900682 /nfs/dbraw/zinc/90/06/82/669900682.db2.gz KHBAXRJNPYQUJK-SFHVURJKSA-N 2 2 352.479 0.705 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)NCC(=O)N(C)C)CC2)CC1 ZINC000817566513 670017868 /nfs/dbraw/zinc/01/78/68/670017868.db2.gz NJNSSUHXXMPORK-UHFFFAOYSA-N 2 2 355.552 0.441 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)NCC(=O)N(C)C)CC2)CC1 ZINC000817566513 670017870 /nfs/dbraw/zinc/01/78/70/670017870.db2.gz NJNSSUHXXMPORK-UHFFFAOYSA-N 2 2 355.552 0.441 20 0 FCADLP Cn1nc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047028 670770621 /nfs/dbraw/zinc/77/06/21/670770621.db2.gz LHJRKJIPAZACBL-LBPRGKRZSA-N 2 2 370.295 0.826 20 0 FCADLP Cn1nc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047028 670770626 /nfs/dbraw/zinc/77/06/26/670770626.db2.gz LHJRKJIPAZACBL-LBPRGKRZSA-N 2 2 370.295 0.826 20 0 FCADLP NS(=O)(=O)c1ccc(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844334149 670918643 /nfs/dbraw/zinc/91/86/43/670918643.db2.gz FKIFJHDGMCLAAM-UHFFFAOYSA-N 2 2 367.515 0.703 20 0 FCADLP CCO/C=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000847450873 671194077 /nfs/dbraw/zinc/19/40/77/671194077.db2.gz GFOHHASHOZQQNZ-AUWJEWJLSA-N 2 2 352.479 0.233 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087840 671486812 /nfs/dbraw/zinc/48/68/12/671486812.db2.gz VHCGHHZOAHJRSN-HNNXBMFYSA-N 2 2 360.524 0.279 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000852087840 671486816 /nfs/dbraw/zinc/48/68/16/671486816.db2.gz VHCGHHZOAHJRSN-HNNXBMFYSA-N 2 2 360.524 0.279 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000852805086 671526023 /nfs/dbraw/zinc/52/60/23/671526023.db2.gz OLKUDPATAOJPAI-KRWDZBQOSA-N 2 2 365.499 0.846 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000115546365 671736735 /nfs/dbraw/zinc/73/67/35/671736735.db2.gz UNBFHEIMBXIDMF-UHFFFAOYSA-N 2 2 355.504 0.655 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000115546365 671736736 /nfs/dbraw/zinc/73/67/36/671736736.db2.gz UNBFHEIMBXIDMF-UHFFFAOYSA-N 2 2 355.504 0.655 20 0 FCADLP CC1([NH+]2CCOCC2)CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000863225547 672105922 /nfs/dbraw/zinc/10/59/22/672105922.db2.gz SGMBCAACJJOEBD-UHFFFAOYSA-N 2 2 370.563 0.770 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(N[C@@H](C(N)=O)C(C)C)[nH+]cn2)C1 ZINC000864712689 672206611 /nfs/dbraw/zinc/20/66/11/672206611.db2.gz IPFOTRAAIGTARW-HEHGZKQESA-N 2 2 350.467 0.554 20 0 FCADLP CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865644651 672247055 /nfs/dbraw/zinc/24/70/55/672247055.db2.gz GVGJHMHNRWAILV-HNNXBMFYSA-N 2 2 351.447 0.896 20 0 FCADLP CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728542 672249197 /nfs/dbraw/zinc/24/91/97/672249197.db2.gz WOYCUZNGENVQNK-OAJJDEHYSA-N 2 2 350.507 0.502 20 0 FCADLP CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728542 672249200 /nfs/dbraw/zinc/24/92/00/672249200.db2.gz WOYCUZNGENVQNK-OAJJDEHYSA-N 2 2 350.507 0.502 20 0 FCADLP CN(C(=O)/C=C\CN1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728541 672249268 /nfs/dbraw/zinc/24/92/68/672249268.db2.gz WOYCUZNGENVQNK-JXCVUKRWSA-N 2 2 350.507 0.502 20 0 FCADLP CN(C(=O)/C=C\CN1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728541 672249272 /nfs/dbraw/zinc/24/92/72/672249272.db2.gz WOYCUZNGENVQNK-JXCVUKRWSA-N 2 2 350.507 0.502 20 0 FCADLP CONC(=O)C1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000872790910 672663966 /nfs/dbraw/zinc/66/39/66/672663966.db2.gz HZZSLKVMSDDGSG-KRWDZBQOSA-N 2 2 352.435 0.250 20 0 FCADLP CC(C)(CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000874430544 672783540 /nfs/dbraw/zinc/78/35/40/672783540.db2.gz FSUVPHXNDDRTSJ-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000877329426 673008358 /nfs/dbraw/zinc/00/83/58/673008358.db2.gz RECULKMQKNPTJB-SJORKVTESA-N 2 2 351.491 0.905 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000877329426 673008362 /nfs/dbraw/zinc/00/83/62/673008362.db2.gz RECULKMQKNPTJB-SJORKVTESA-N 2 2 351.491 0.905 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878055936 673038754 /nfs/dbraw/zinc/03/87/54/673038754.db2.gz SCSWPVKGRUVOGW-KRWDZBQOSA-N 2 2 355.523 0.919 20 0 FCADLP CCOC(=O)CCCNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590950 673129557 /nfs/dbraw/zinc/12/95/57/673129557.db2.gz ODTJXLCQROKKIS-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680524 676108407 /nfs/dbraw/zinc/10/84/07/676108407.db2.gz OEUBMQSQIBFZBQ-IVMMDQJWSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051680524 676108409 /nfs/dbraw/zinc/10/84/09/676108409.db2.gz OEUBMQSQIBFZBQ-IVMMDQJWSA-N 2 2 352.435 0.019 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C/C=C\Cl)CC3)C2)O1 ZINC001052043457 676113746 /nfs/dbraw/zinc/11/37/46/676113746.db2.gz YYGLENHIUZZKBH-YZUVHJKWSA-N 2 2 370.925 0.677 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C/C=C\Cl)CC3)C2)O1 ZINC001052043457 676113747 /nfs/dbraw/zinc/11/37/47/676113747.db2.gz YYGLENHIUZZKBH-YZUVHJKWSA-N 2 2 370.925 0.677 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC001052487957 676124133 /nfs/dbraw/zinc/12/41/33/676124133.db2.gz FPERSOUEWBCTEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC001052487957 676124137 /nfs/dbraw/zinc/12/41/37/676124137.db2.gz FPERSOUEWBCTEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)CC2)O1 ZINC001052487957 676124138 /nfs/dbraw/zinc/12/41/38/676124138.db2.gz FPERSOUEWBCTEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)CC2)O1 ZINC001052487957 676124141 /nfs/dbraw/zinc/12/41/41/676124141.db2.gz FPERSOUEWBCTEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP OC[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)Cc1ccoc1 ZINC000883277834 673370652 /nfs/dbraw/zinc/37/06/52/673370652.db2.gz GUEGGEVGBIIXFN-GOSISDBHSA-N 2 2 351.491 0.817 20 0 FCADLP OC[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)Cc1ccoc1 ZINC000883277834 673370656 /nfs/dbraw/zinc/37/06/56/673370656.db2.gz GUEGGEVGBIIXFN-GOSISDBHSA-N 2 2 351.491 0.817 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000884968478 673494156 /nfs/dbraw/zinc/49/41/56/673494156.db2.gz SCGFIZMOVBUGTN-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP COC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000886786743 673598952 /nfs/dbraw/zinc/59/89/52/673598952.db2.gz IXTFCBXNSBDKCE-IEBWSBKVSA-N 2 2 355.523 0.814 20 0 FCADLP COC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000886904087 673609687 /nfs/dbraw/zinc/60/96/87/673609687.db2.gz OGNNHBJTNDISFG-HOTGVXAUSA-N 2 2 357.495 0.245 20 0 FCADLP [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000887075266 673619739 /nfs/dbraw/zinc/61/97/39/673619739.db2.gz AGDFBORTILAPIK-UHFFFAOYSA-N 2 2 364.877 0.934 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000925611206 673797166 /nfs/dbraw/zinc/79/71/66/673797166.db2.gz KKRYVYOBDHYZKL-IXDOHACOSA-N 2 2 356.511 0.848 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000925611206 673797168 /nfs/dbraw/zinc/79/71/68/673797168.db2.gz KKRYVYOBDHYZKL-IXDOHACOSA-N 2 2 356.511 0.848 20 0 FCADLP CN(C(=O)NCCO[C@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927520716 673865288 /nfs/dbraw/zinc/86/52/88/673865288.db2.gz DQGIEFRWYITXMV-IRXDYDNUSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)NCCO[C@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927520716 673865293 /nfs/dbraw/zinc/86/52/93/673865293.db2.gz DQGIEFRWYITXMV-IRXDYDNUSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071716 675268201 /nfs/dbraw/zinc/26/82/01/675268201.db2.gz BPXMHRUUQKVWFW-RBSFLKMASA-N 2 2 350.467 0.269 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071716 675268207 /nfs/dbraw/zinc/26/82/07/675268207.db2.gz BPXMHRUUQKVWFW-RBSFLKMASA-N 2 2 350.467 0.269 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969071722 675268430 /nfs/dbraw/zinc/26/84/30/675268430.db2.gz BVWZKHMMPJVKHB-BPLDGKMQSA-N 2 2 350.467 0.016 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969071722 675268431 /nfs/dbraw/zinc/26/84/31/675268431.db2.gz BVWZKHMMPJVKHB-BPLDGKMQSA-N 2 2 350.467 0.016 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606988 675699385 /nfs/dbraw/zinc/69/93/85/675699385.db2.gz WVHLMIIRRPYJOX-JKSUJKDBSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCOC)C2)C1 ZINC000900606988 675699386 /nfs/dbraw/zinc/69/93/86/675699386.db2.gz WVHLMIIRRPYJOX-JKSUJKDBSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCOC)C2)C1 ZINC000900606988 675699387 /nfs/dbraw/zinc/69/93/87/675699387.db2.gz WVHLMIIRRPYJOX-JKSUJKDBSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)C1 ZINC000900606988 675699388 /nfs/dbraw/zinc/69/93/88/675699388.db2.gz WVHLMIIRRPYJOX-JKSUJKDBSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000900802745 675717689 /nfs/dbraw/zinc/71/76/89/675717689.db2.gz GJIZVOYEUWIICL-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000900802745 675717690 /nfs/dbraw/zinc/71/76/90/675717690.db2.gz GJIZVOYEUWIICL-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000900802745 675717691 /nfs/dbraw/zinc/71/76/91/675717691.db2.gz GJIZVOYEUWIICL-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000900802745 675717692 /nfs/dbraw/zinc/71/76/92/675717692.db2.gz GJIZVOYEUWIICL-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900925070 675731452 /nfs/dbraw/zinc/73/14/52/675731452.db2.gz ZIZLSJWVYSXASJ-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP Cc1cc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC001047385097 675795816 /nfs/dbraw/zinc/79/58/16/675795816.db2.gz YUEGFRKVFNNPHM-OJLVUWQFSA-N 2 2 352.504 0.795 20 0 FCADLP Cc1cc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC001047385097 675795817 /nfs/dbraw/zinc/79/58/17/675795817.db2.gz YUEGFRKVFNNPHM-OJLVUWQFSA-N 2 2 352.504 0.795 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)sn1 ZINC001047385097 675795818 /nfs/dbraw/zinc/79/58/18/675795818.db2.gz YUEGFRKVFNNPHM-OJLVUWQFSA-N 2 2 352.504 0.795 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)sn1 ZINC001047385097 675795819 /nfs/dbraw/zinc/79/58/19/675795819.db2.gz YUEGFRKVFNNPHM-OJLVUWQFSA-N 2 2 352.504 0.795 20 0 FCADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194029 1168298702 /nfs/dbraw/zinc/29/87/02/1168298702.db2.gz RYBJBVHBQHYCEH-DLBZAZTESA-N 2 2 364.446 0.442 20 0 FCADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194029 1168298706 /nfs/dbraw/zinc/29/87/06/1168298706.db2.gz RYBJBVHBQHYCEH-DLBZAZTESA-N 2 2 364.446 0.442 20 0 FCADLP Cn1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)nn1 ZINC001167271584 1168481503 /nfs/dbraw/zinc/48/15/03/1168481503.db2.gz ZFCSIAXMSOSMCE-HUUCEWRRSA-N 2 2 357.462 0.728 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]Cc2ncnn2C)CC1 ZINC001167271379 1168482450 /nfs/dbraw/zinc/48/24/50/1168482450.db2.gz OAGOCBVROLENJC-ZIAGYGMSSA-N 2 2 357.462 0.728 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104256596 1168815136 /nfs/dbraw/zinc/81/51/36/1168815136.db2.gz HLKSKBVBILHCSG-KFWWJZLASA-N 2 2 369.489 0.464 20 0 FCADLP CNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486147 1169060642 /nfs/dbraw/zinc/06/06/42/1169060642.db2.gz BPZLCDVDAYEDTA-DOXZYTNZSA-N 2 2 361.490 0.706 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001021643280 1169860819 /nfs/dbraw/zinc/86/08/19/1169860819.db2.gz QWIRCPCAIVXREL-ARFHVFGLSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001021643280 1169860822 /nfs/dbraw/zinc/86/08/22/1169860822.db2.gz QWIRCPCAIVXREL-ARFHVFGLSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021750665 1169977000 /nfs/dbraw/zinc/97/70/00/1169977000.db2.gz BAZYDQRPXLDWFK-RYQLBKOJSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021750665 1169977009 /nfs/dbraw/zinc/97/70/09/1169977009.db2.gz BAZYDQRPXLDWFK-RYQLBKOJSA-N 2 2 371.485 0.743 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC[N@@H+]1C ZINC001021806198 1170081896 /nfs/dbraw/zinc/08/18/96/1170081896.db2.gz LWWOHTZGGOAGGJ-MWDXBVQZSA-N 2 2 359.474 0.673 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC[N@H+]1C ZINC001021806198 1170081903 /nfs/dbraw/zinc/08/19/03/1170081903.db2.gz LWWOHTZGGOAGGJ-MWDXBVQZSA-N 2 2 359.474 0.673 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001021885629 1170250493 /nfs/dbraw/zinc/25/04/93/1170250493.db2.gz SXDTUOMGSNXYJJ-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC000988725847 1192408546 /nfs/dbraw/zinc/40/85/46/1192408546.db2.gz PGDIZZDCPOFXTF-KMFMINBZSA-N 2 2 370.457 0.756 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001021993197 1170363258 /nfs/dbraw/zinc/36/32/58/1170363258.db2.gz XWPZLPCJFBXZCE-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)CC[N@@H+]1C ZINC001022213677 1170755439 /nfs/dbraw/zinc/75/54/39/1170755439.db2.gz IAXUXGMNENQRJT-DZJNRPSUSA-N 2 2 373.501 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)CC[N@H+]1C ZINC001022213677 1170755460 /nfs/dbraw/zinc/75/54/60/1170755460.db2.gz IAXUXGMNENQRJT-DZJNRPSUSA-N 2 2 373.501 0.752 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217233 1170765544 /nfs/dbraw/zinc/76/55/44/1170765544.db2.gz HFDGTDGEKPQBTM-DOTOQJQBSA-N 2 2 371.485 0.508 20 0 FCADLP COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780522 1170822247 /nfs/dbraw/zinc/82/22/47/1170822247.db2.gz DDEIKZDRVUBMDL-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780522 1170822249 /nfs/dbraw/zinc/82/22/49/1170822249.db2.gz DDEIKZDRVUBMDL-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780522 1170822251 /nfs/dbraw/zinc/82/22/51/1170822251.db2.gz DDEIKZDRVUBMDL-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780522 1170822252 /nfs/dbraw/zinc/82/22/52/1170822252.db2.gz DDEIKZDRVUBMDL-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001022276214 1170823921 /nfs/dbraw/zinc/82/39/21/1170823921.db2.gz CPSWZSAMLSWCAW-APIJFGDWSA-N 2 2 364.494 0.394 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001022276214 1170823922 /nfs/dbraw/zinc/82/39/22/1170823922.db2.gz CPSWZSAMLSWCAW-APIJFGDWSA-N 2 2 364.494 0.394 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C(C)(C)C)o3)C2)O1 ZINC001022275930 1170824319 /nfs/dbraw/zinc/82/43/19/1170824319.db2.gz VSLUQFJFEKWUCX-YIYPIFLZSA-N 2 2 365.478 0.823 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C(C)(C)C)o3)C2)O1 ZINC001022275930 1170824320 /nfs/dbraw/zinc/82/43/20/1170824320.db2.gz VSLUQFJFEKWUCX-YIYPIFLZSA-N 2 2 365.478 0.823 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]21 ZINC001022317070 1170850593 /nfs/dbraw/zinc/85/05/93/1170850593.db2.gz QBQYGWIZWCQAPW-BHYGNILZSA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21 ZINC001022317070 1170850596 /nfs/dbraw/zinc/85/05/96/1170850596.db2.gz QBQYGWIZWCQAPW-BHYGNILZSA-N 2 2 359.474 0.804 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000988749897 1192439247 /nfs/dbraw/zinc/43/92/47/1192439247.db2.gz CBJDPZXBSFXBSM-CABCVRRESA-N 2 2 359.474 0.934 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000153919018 1171054755 /nfs/dbraw/zinc/05/47/55/1171054755.db2.gz AXYGCGNNTLSSEM-HZPDHXFCSA-N 2 2 365.522 0.807 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC1 ZINC001022516215 1171352250 /nfs/dbraw/zinc/35/22/50/1171352250.db2.gz MUKKWJIACDDSGK-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC1 ZINC001022522415 1171355478 /nfs/dbraw/zinc/35/54/78/1171355478.db2.gz DVSSBQVMSUXYJK-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC1 ZINC001022523540 1171358355 /nfs/dbraw/zinc/35/83/55/1171358355.db2.gz DSVFGWNXBRIYCB-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972153060 1171806626 /nfs/dbraw/zinc/80/66/26/1171806626.db2.gz UDHHHZXBRFWACQ-HYVNUMGLSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972153060 1171806627 /nfs/dbraw/zinc/80/66/27/1171806627.db2.gz UDHHHZXBRFWACQ-HYVNUMGLSA-N 2 2 359.474 0.884 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CCC1 ZINC001083248491 1172008749 /nfs/dbraw/zinc/00/87/49/1172008749.db2.gz JRFNUXOEAWJGJN-RCCFBDPRSA-N 2 2 362.474 0.689 20 0 FCADLP CO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CCC1 ZINC001083248491 1172008757 /nfs/dbraw/zinc/00/87/57/1172008757.db2.gz JRFNUXOEAWJGJN-RCCFBDPRSA-N 2 2 362.474 0.689 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892290665 1172028502 /nfs/dbraw/zinc/02/85/02/1172028502.db2.gz ITYAZILUGHONON-GOSISDBHSA-N 2 2 364.490 0.860 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892290665 1172028512 /nfs/dbraw/zinc/02/85/12/1172028512.db2.gz ITYAZILUGHONON-GOSISDBHSA-N 2 2 364.490 0.860 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC000972375883 1172032488 /nfs/dbraw/zinc/03/24/88/1172032488.db2.gz QVFAQLHFUXXFSC-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC000972375883 1172032496 /nfs/dbraw/zinc/03/24/96/1172032496.db2.gz QVFAQLHFUXXFSC-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC000972419890 1172108856 /nfs/dbraw/zinc/10/88/56/1172108856.db2.gz TZHIJZPMOYWYJE-KLHDSHLOSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC[N@H+]1C ZINC000972419890 1172108863 /nfs/dbraw/zinc/10/88/63/1172108863.db2.gz TZHIJZPMOYWYJE-KLHDSHLOSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC000972424000 1172119466 /nfs/dbraw/zinc/11/94/66/1172119466.db2.gz VVHDXCRPLULGDW-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CC[N@H+]1C ZINC000972424000 1172119477 /nfs/dbraw/zinc/11/94/77/1172119477.db2.gz VVHDXCRPLULGDW-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)CC[N@@H+]1C ZINC000972424000 1172119483 /nfs/dbraw/zinc/11/94/83/1172119483.db2.gz VVHDXCRPLULGDW-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)CC[N@H+]1C ZINC000972424000 1172119498 /nfs/dbraw/zinc/11/94/98/1172119498.db2.gz VVHDXCRPLULGDW-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP NC(=[NH2+])Nc1ccc(C(=O)N2CC3(CCN3CCn3cc[nH+]c3)C2)cc1 ZINC001272133801 1192559832 /nfs/dbraw/zinc/55/98/32/1192559832.db2.gz BBRQUUOZWZSEKV-UHFFFAOYSA-N 2 2 353.430 0.789 20 0 FCADLP NC(=[NH2+])Nc1ccc(C(=O)N2CC3(CC[N@@H+]3CCn3ccnc3)C2)cc1 ZINC001272133801 1192559838 /nfs/dbraw/zinc/55/98/38/1192559838.db2.gz BBRQUUOZWZSEKV-UHFFFAOYSA-N 2 2 353.430 0.789 20 0 FCADLP NC(=[NH2+])Nc1ccc(C(=O)N2CC3(CC[N@H+]3CCn3ccnc3)C2)cc1 ZINC001272133801 1192559842 /nfs/dbraw/zinc/55/98/42/1192559842.db2.gz BBRQUUOZWZSEKV-UHFFFAOYSA-N 2 2 353.430 0.789 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000989052144 1192661770 /nfs/dbraw/zinc/66/17/70/1192661770.db2.gz SVJMEGGLAZPDBS-WBVHZDCISA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088679718 1192818574 /nfs/dbraw/zinc/81/85/74/1192818574.db2.gz WGUBGLAKRKRXMX-YCPHGPKFSA-N 2 2 360.462 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCN1CCNC1=O ZINC001088679718 1192818575 /nfs/dbraw/zinc/81/85/75/1192818575.db2.gz WGUBGLAKRKRXMX-YCPHGPKFSA-N 2 2 360.462 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000989390141 1192826901 /nfs/dbraw/zinc/82/69/01/1192826901.db2.gz FPDHCBRPXNTCBA-IVSAIRAKSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000989390141 1192826902 /nfs/dbraw/zinc/82/69/02/1192826902.db2.gz FPDHCBRPXNTCBA-IVSAIRAKSA-N 2 2 361.490 0.799 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075940244 1192835550 /nfs/dbraw/zinc/83/55/50/1192835550.db2.gz FZSIHKRCUQGXTM-CYGHRXIMSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075940244 1192835552 /nfs/dbraw/zinc/83/55/52/1192835552.db2.gz FZSIHKRCUQGXTM-CYGHRXIMSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075940244 1192835553 /nfs/dbraw/zinc/83/55/53/1192835553.db2.gz FZSIHKRCUQGXTM-CYGHRXIMSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001075940244 1192835554 /nfs/dbraw/zinc/83/55/54/1192835554.db2.gz FZSIHKRCUQGXTM-CYGHRXIMSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940518 1192837127 /nfs/dbraw/zinc/83/71/27/1192837127.db2.gz UDAGMIGALPIFNR-AETAKHFUSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940518 1192837130 /nfs/dbraw/zinc/83/71/30/1192837130.db2.gz UDAGMIGALPIFNR-AETAKHFUSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940518 1192837131 /nfs/dbraw/zinc/83/71/31/1192837131.db2.gz UDAGMIGALPIFNR-AETAKHFUSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940518 1192837133 /nfs/dbraw/zinc/83/71/33/1192837133.db2.gz UDAGMIGALPIFNR-AETAKHFUSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000842035264 1192861331 /nfs/dbraw/zinc/86/13/31/1192861331.db2.gz JVXPUMXEELRGLD-STQMWFEESA-N 2 2 356.430 0.401 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000842056656 1192865065 /nfs/dbraw/zinc/86/50/65/1192865065.db2.gz BTKIDSHRRKGAOB-CJNGLKHVSA-N 2 2 357.414 0.063 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943646 1192872311 /nfs/dbraw/zinc/87/23/11/1192872311.db2.gz ZSZMKDHBNZCWAS-LTCOOKNTSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943646 1192872312 /nfs/dbraw/zinc/87/23/12/1192872312.db2.gz ZSZMKDHBNZCWAS-LTCOOKNTSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943646 1192872314 /nfs/dbraw/zinc/87/23/14/1192872314.db2.gz ZSZMKDHBNZCWAS-LTCOOKNTSA-N 2 2 362.474 0.989 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943646 1192872315 /nfs/dbraw/zinc/87/23/15/1192872315.db2.gz ZSZMKDHBNZCWAS-LTCOOKNTSA-N 2 2 362.474 0.989 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104452261 1178886639 /nfs/dbraw/zinc/88/66/39/1178886639.db2.gz HPFHVZBXVTZYOO-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104452261 1178886640 /nfs/dbraw/zinc/88/66/40/1178886640.db2.gz HPFHVZBXVTZYOO-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCCO ZINC001104452200 1178887671 /nfs/dbraw/zinc/88/76/71/1178887671.db2.gz GJVKPPJCNILJEO-QRQLOZEOSA-N 2 2 367.534 0.944 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCCO ZINC001104452200 1178887672 /nfs/dbraw/zinc/88/76/72/1178887672.db2.gz GJVKPPJCNILJEO-QRQLOZEOSA-N 2 2 367.534 0.944 20 0 FCADLP COCc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001023380456 1179510706 /nfs/dbraw/zinc/51/07/06/1179510706.db2.gz ZKWORGHOPXQRNV-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001023380456 1179510727 /nfs/dbraw/zinc/51/07/27/1179510727.db2.gz ZKWORGHOPXQRNV-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023380456 1179510737 /nfs/dbraw/zinc/51/07/37/1179510737.db2.gz ZKWORGHOPXQRNV-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2CCC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023380456 1179510765 /nfs/dbraw/zinc/51/07/65/1179510765.db2.gz ZKWORGHOPXQRNV-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)N(CC)CC ZINC001691466013 1180092771 /nfs/dbraw/zinc/09/27/71/1180092771.db2.gz PUQVYMORLTVNRM-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@@H+]1C ZINC001024492143 1181239362 /nfs/dbraw/zinc/23/93/62/1181239362.db2.gz DDAAYNRZJIASOS-MCPWVCTESA-N 2 2 371.441 0.205 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@H+]1C ZINC001024492143 1181239370 /nfs/dbraw/zinc/23/93/70/1181239370.db2.gz DDAAYNRZJIASOS-MCPWVCTESA-N 2 2 371.441 0.205 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024623853 1181407703 /nfs/dbraw/zinc/40/77/03/1181407703.db2.gz RVIPAJDHSKUXTK-SQWLQELKSA-N 2 2 371.441 0.120 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024623853 1181407711 /nfs/dbraw/zinc/40/77/11/1181407711.db2.gz RVIPAJDHSKUXTK-SQWLQELKSA-N 2 2 371.441 0.120 20 0 FCADLP CCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939810 1181547143 /nfs/dbraw/zinc/54/71/43/1181547143.db2.gz TZPIYCDSOJAZDE-KSSFIOAISA-N 2 2 365.478 0.681 20 0 FCADLP 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Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000975046369 1183682358 /nfs/dbraw/zinc/68/23/58/1183682358.db2.gz KEUGGOBDQKDIDF-FMKPAKJESA-N 2 2 357.462 0.642 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000975046369 1183682365 /nfs/dbraw/zinc/68/23/65/1183682365.db2.gz KEUGGOBDQKDIDF-FMKPAKJESA-N 2 2 357.462 0.642 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425309 1183866759 /nfs/dbraw/zinc/86/67/59/1183866759.db2.gz SLVWLOUTCROEBP-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425309 1183866761 /nfs/dbraw/zinc/86/67/61/1183866761.db2.gz SLVWLOUTCROEBP-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000975726467 1185621464 /nfs/dbraw/zinc/62/14/64/1185621464.db2.gz LSANTRJQRIRJEX-JQHSSLGASA-N 2 2 371.485 0.743 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000975720161 1185644823 /nfs/dbraw/zinc/64/48/23/1185644823.db2.gz RZNFGVUMRRJAQE-IRXDYDNUSA-N 2 2 370.457 0.846 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)C1 ZINC000975768014 1185712011 /nfs/dbraw/zinc/71/20/11/1185712011.db2.gz MWSXATKMDQPUNH-ZOBUZTSGSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]32)C1 ZINC000975768014 1185712013 /nfs/dbraw/zinc/71/20/13/1185712013.db2.gz MWSXATKMDQPUNH-ZOBUZTSGSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)C1 ZINC000975768014 1185712023 /nfs/dbraw/zinc/71/20/23/1185712023.db2.gz MWSXATKMDQPUNH-ZOBUZTSGSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]32)C1 ZINC000975768014 1185712047 /nfs/dbraw/zinc/71/20/47/1185712047.db2.gz MWSXATKMDQPUNH-ZOBUZTSGSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)CCC1 ZINC000975760391 1185728256 /nfs/dbraw/zinc/72/82/56/1185728256.db2.gz HUSXRFSBDYPKQV-GJZGRUSLSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000975811445 1185805845 /nfs/dbraw/zinc/80/58/45/1185805845.db2.gz QUMVAIMVGQWEGX-IRXDYDNUSA-N 2 2 370.457 0.928 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC000975817044 1185809720 /nfs/dbraw/zinc/80/97/20/1185809720.db2.gz ZDECYZLDQGODGN-UXLLHSPISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000975817044 1185809722 /nfs/dbraw/zinc/80/97/22/1185809722.db2.gz ZDECYZLDQGODGN-UXLLHSPISA-N 2 2 359.474 0.364 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1)[NH+](C)C ZINC000975836398 1185822755 /nfs/dbraw/zinc/82/27/55/1185822755.db2.gz SEYKNBVGTKSEJU-QILLFSRXSA-N 2 2 361.490 0.988 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21)C1CCC1 ZINC000975927692 1185851942 /nfs/dbraw/zinc/85/19/42/1185851942.db2.gz UWHPPSRNFZUXOX-HOCLYGCPSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21)C1CCC1 ZINC000975927692 1185851943 /nfs/dbraw/zinc/85/19/43/1185851943.db2.gz UWHPPSRNFZUXOX-HOCLYGCPSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000976109671 1185887284 /nfs/dbraw/zinc/88/72/84/1185887284.db2.gz KJSYWIPJKRGPKD-HOCLYGCPSA-N 2 2 357.458 0.497 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000976288112 1185908645 /nfs/dbraw/zinc/90/86/45/1185908645.db2.gz VCZVAFYOOGDESI-ALOQXXIVSA-N 2 2 357.458 0.191 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000976288112 1185908657 /nfs/dbraw/zinc/90/86/57/1185908657.db2.gz VCZVAFYOOGDESI-ALOQXXIVSA-N 2 2 357.458 0.191 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424240 1185985525 /nfs/dbraw/zinc/98/55/25/1185985525.db2.gz PLBRXDGERPLOJN-GUDVDZBRSA-N 2 2 361.486 0.674 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424240 1185985534 /nfs/dbraw/zinc/98/55/34/1185985534.db2.gz PLBRXDGERPLOJN-GUDVDZBRSA-N 2 2 361.486 0.674 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424240 1185985540 /nfs/dbraw/zinc/98/55/40/1185985540.db2.gz PLBRXDGERPLOJN-GUDVDZBRSA-N 2 2 361.486 0.674 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424240 1185985545 /nfs/dbraw/zinc/98/55/45/1185985545.db2.gz PLBRXDGERPLOJN-GUDVDZBRSA-N 2 2 361.486 0.674 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC000978703253 1185992156 /nfs/dbraw/zinc/99/21/56/1185992156.db2.gz ABHQJEGTKQQBMG-ZKXLYKBJSA-N 2 2 368.485 0.794 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC000978703253 1185992170 /nfs/dbraw/zinc/99/21/70/1185992170.db2.gz ABHQJEGTKQQBMG-ZKXLYKBJSA-N 2 2 368.485 0.794 20 0 FCADLP O=C(N[C@@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000978844149 1186012553 /nfs/dbraw/zinc/01/25/53/1186012553.db2.gz CIANBUYFZCMSMO-GWZLXJJCSA-N 2 2 371.485 0.866 20 0 FCADLP O=C(N[C@@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000978844149 1186012557 /nfs/dbraw/zinc/01/25/57/1186012557.db2.gz CIANBUYFZCMSMO-GWZLXJJCSA-N 2 2 371.485 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979793841 1186119062 /nfs/dbraw/zinc/11/90/62/1186119062.db2.gz WHGJEGWDBQMFPI-RFBLXINOSA-N 2 2 359.474 0.486 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000979793841 1186119072 /nfs/dbraw/zinc/11/90/72/1186119072.db2.gz WHGJEGWDBQMFPI-RFBLXINOSA-N 2 2 359.474 0.486 20 0 FCADLP Cn1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1=O ZINC001027942488 1186218837 /nfs/dbraw/zinc/21/88/37/1186218837.db2.gz DUFLXHOJWQGVJQ-ARFHVFGLSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1=O ZINC001027942488 1186218839 /nfs/dbraw/zinc/21/88/39/1186218839.db2.gz DUFLXHOJWQGVJQ-ARFHVFGLSA-N 2 2 355.442 0.993 20 0 FCADLP COc1cccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435460 1186418762 /nfs/dbraw/zinc/41/87/62/1186418762.db2.gz JWEYOFZXCXSITF-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1cccc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435460 1186418765 /nfs/dbraw/zinc/41/87/65/1186418765.db2.gz JWEYOFZXCXSITF-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1cccc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435460 1186418768 /nfs/dbraw/zinc/41/87/68/1186418768.db2.gz JWEYOFZXCXSITF-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1cccc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435460 1186418775 /nfs/dbraw/zinc/41/87/75/1186418775.db2.gz JWEYOFZXCXSITF-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441963 1187512577 /nfs/dbraw/zinc/51/25/77/1187512577.db2.gz JPBXOQIAYUZIPS-KBAYOESNSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441963 1187512579 /nfs/dbraw/zinc/51/25/79/1187512579.db2.gz JPBXOQIAYUZIPS-KBAYOESNSA-N 2 2 370.497 0.930 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443639 1187520310 /nfs/dbraw/zinc/52/03/10/1187520310.db2.gz XLIFMZZLTKINMR-KZNAEPCWSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443639 1187520316 /nfs/dbraw/zinc/52/03/16/1187520316.db2.gz XLIFMZZLTKINMR-KZNAEPCWSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443639 1187520320 /nfs/dbraw/zinc/52/03/20/1187520320.db2.gz XLIFMZZLTKINMR-KZNAEPCWSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087443639 1187520325 /nfs/dbraw/zinc/52/03/25/1187520325.db2.gz XLIFMZZLTKINMR-KZNAEPCWSA-N 2 2 358.486 0.658 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000549787336 1187525654 /nfs/dbraw/zinc/52/56/54/1187525654.db2.gz WOGOZZTWKUJVEU-IKGGRYGDSA-N 2 2 366.506 0.155 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552024 1187604289 /nfs/dbraw/zinc/60/42/89/1187604289.db2.gz DNRXMXHXOBEMMO-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552024 1187604295 /nfs/dbraw/zinc/60/42/95/1187604295.db2.gz DNRXMXHXOBEMMO-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028552024 1187604300 /nfs/dbraw/zinc/60/43/00/1187604300.db2.gz DNRXMXHXOBEMMO-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028552024 1187604306 /nfs/dbraw/zinc/60/43/06/1187604306.db2.gz DNRXMXHXOBEMMO-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373238 1187695651 /nfs/dbraw/zinc/69/56/51/1187695651.db2.gz XDFQCZNOWIJLPZ-KURKYZTESA-N 2 2 359.470 0.420 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373238 1187695655 /nfs/dbraw/zinc/69/56/55/1187695655.db2.gz XDFQCZNOWIJLPZ-KURKYZTESA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373238 1187695658 /nfs/dbraw/zinc/69/56/58/1187695658.db2.gz XDFQCZNOWIJLPZ-KURKYZTESA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373238 1187695662 /nfs/dbraw/zinc/69/56/62/1187695662.db2.gz XDFQCZNOWIJLPZ-KURKYZTESA-N 2 2 359.470 0.420 20 0 FCADLP CCCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385250 1187712884 /nfs/dbraw/zinc/71/28/84/1187712884.db2.gz IKOVYSUVAVJOAU-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385250 1187712889 /nfs/dbraw/zinc/71/28/89/1187712889.db2.gz IKOVYSUVAVJOAU-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385250 1187712892 /nfs/dbraw/zinc/71/28/92/1187712892.db2.gz IKOVYSUVAVJOAU-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385250 1187712898 /nfs/dbraw/zinc/71/28/98/1187712898.db2.gz IKOVYSUVAVJOAU-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385222 1187713123 /nfs/dbraw/zinc/71/31/23/1187713123.db2.gz HKGCDHMWKMBHKD-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385222 1187713126 /nfs/dbraw/zinc/71/31/26/1187713126.db2.gz HKGCDHMWKMBHKD-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385222 1187713127 /nfs/dbraw/zinc/71/31/27/1187713127.db2.gz HKGCDHMWKMBHKD-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385222 1187713130 /nfs/dbraw/zinc/71/31/30/1187713130.db2.gz HKGCDHMWKMBHKD-QYZOEREBSA-N 2 2 361.486 0.283 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385544 1187713944 /nfs/dbraw/zinc/71/39/44/1187713944.db2.gz RCKBUMFMJSMGTL-CEXWTWQISA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385544 1187713945 /nfs/dbraw/zinc/71/39/45/1187713945.db2.gz RCKBUMFMJSMGTL-CEXWTWQISA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385544 1187713947 /nfs/dbraw/zinc/71/39/47/1187713947.db2.gz RCKBUMFMJSMGTL-CEXWTWQISA-N 2 2 361.486 0.604 20 0 FCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)c1 ZINC001083385544 1187713948 /nfs/dbraw/zinc/71/39/48/1187713948.db2.gz RCKBUMFMJSMGTL-CEXWTWQISA-N 2 2 361.486 0.604 20 0 FCADLP CCCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628722 1187756866 /nfs/dbraw/zinc/75/68/66/1187756866.db2.gz YFDBABIJMIGDLO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628722 1187756872 /nfs/dbraw/zinc/75/68/72/1187756872.db2.gz YFDBABIJMIGDLO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628722 1187756877 /nfs/dbraw/zinc/75/68/77/1187756877.db2.gz YFDBABIJMIGDLO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628722 1187756885 /nfs/dbraw/zinc/75/68/85/1187756885.db2.gz YFDBABIJMIGDLO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629120 1187757288 /nfs/dbraw/zinc/75/72/88/1187757288.db2.gz GVYNJQKOLBUZEX-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629120 1187757289 /nfs/dbraw/zinc/75/72/89/1187757289.db2.gz GVYNJQKOLBUZEX-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1cncc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629120 1187757292 /nfs/dbraw/zinc/75/72/92/1187757292.db2.gz GVYNJQKOLBUZEX-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1cncc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629120 1187757295 /nfs/dbraw/zinc/75/72/95/1187757295.db2.gz GVYNJQKOLBUZEX-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628842 1187757833 /nfs/dbraw/zinc/75/78/33/1187757833.db2.gz AOUGHEKHKWXAPS-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nc(C)c(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028628842 1187757850 /nfs/dbraw/zinc/75/78/50/1187757850.db2.gz AOUGHEKHKWXAPS-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628842 1187757858 /nfs/dbraw/zinc/75/78/58/1187757858.db2.gz AOUGHEKHKWXAPS-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028628842 1187757867 /nfs/dbraw/zinc/75/78/67/1187757867.db2.gz AOUGHEKHKWXAPS-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1C ZINC001028629793 1187759113 /nfs/dbraw/zinc/75/91/13/1187759113.db2.gz STONURVHCAOVAI-RBSFLKMASA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1C ZINC001028629793 1187759116 /nfs/dbraw/zinc/75/91/16/1187759116.db2.gz STONURVHCAOVAI-RBSFLKMASA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001028629793 1187759120 /nfs/dbraw/zinc/75/91/20/1187759120.db2.gz STONURVHCAOVAI-RBSFLKMASA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001028629793 1187759123 /nfs/dbraw/zinc/75/91/23/1187759123.db2.gz STONURVHCAOVAI-RBSFLKMASA-N 2 2 364.494 0.035 20 0 FCADLP O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C12CC[NH+](CC1)C2 ZINC000982925690 1187793926 /nfs/dbraw/zinc/79/39/26/1187793926.db2.gz JGPONRCBFQBJIL-RBSFLKMASA-N 2 2 357.458 0.574 20 0 FCADLP O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C12CC[NH+](CC1)C2 ZINC000982925690 1187793930 /nfs/dbraw/zinc/79/39/30/1187793930.db2.gz JGPONRCBFQBJIL-RBSFLKMASA-N 2 2 357.458 0.574 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000982934214 1187801497 /nfs/dbraw/zinc/80/14/97/1187801497.db2.gz VQOQXBAWEDMKDV-NUEKZKHPSA-N 2 2 359.474 0.820 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000982934214 1187801498 /nfs/dbraw/zinc/80/14/98/1187801498.db2.gz VQOQXBAWEDMKDV-NUEKZKHPSA-N 2 2 359.474 0.820 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001270329758 1188097746 /nfs/dbraw/zinc/09/77/46/1188097746.db2.gz RGSXLOKOHJWTBO-LIRRHRJNSA-N 2 2 359.474 0.842 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)C1=O ZINC001270369817 1188123023 /nfs/dbraw/zinc/12/30/23/1188123023.db2.gz CNHYZZQCCQATQU-HNAYVOBHSA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1=O ZINC001270371000 1188124302 /nfs/dbraw/zinc/12/43/02/1188124302.db2.gz OIPPZAZHPPYSFX-BEFAXECRSA-N 2 2 359.474 0.458 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1=O ZINC001270371001 1188124600 /nfs/dbraw/zinc/12/46/00/1188124600.db2.gz OIPPZAZHPPYSFX-DNVCBOLYSA-N 2 2 359.474 0.458 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001270491130 1188172434 /nfs/dbraw/zinc/17/24/34/1188172434.db2.gz VFFRRMLDTAPVAI-KXBFYZLASA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270491130 1188172436 /nfs/dbraw/zinc/17/24/36/1188172436.db2.gz VFFRRMLDTAPVAI-KXBFYZLASA-N 2 2 359.474 0.855 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)([NH+]2CCOCC2)C1 ZINC000894463947 1188219880 /nfs/dbraw/zinc/21/98/80/1188219880.db2.gz BMCDSGJYGNJQAU-SDDULXJBSA-N 2 2 366.506 0.602 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)([NH+]2CCOCC2)C1 ZINC000894463947 1188219882 /nfs/dbraw/zinc/21/98/82/1188219882.db2.gz BMCDSGJYGNJQAU-SDDULXJBSA-N 2 2 366.506 0.602 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001270755812 1188295028 /nfs/dbraw/zinc/29/50/28/1188295028.db2.gz AEJJVIZEVVSYGD-UHFFFAOYSA-N 2 2 357.414 0.178 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355843 1188342607 /nfs/dbraw/zinc/34/26/07/1188342607.db2.gz JCRITHBBQAELDQ-NVXWUHKLSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355843 1188342609 /nfs/dbraw/zinc/34/26/09/1188342609.db2.gz JCRITHBBQAELDQ-NVXWUHKLSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCNC2=O)C1 ZINC001112536138 1188352017 /nfs/dbraw/zinc/35/20/17/1188352017.db2.gz SDQWMEITGALPTE-KSSFIOAISA-N 2 2 360.462 0.196 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000983954002 1188409657 /nfs/dbraw/zinc/40/96/57/1188409657.db2.gz OOHUIEMQOMSWBV-BMFZPTHFSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000983954002 1188409660 /nfs/dbraw/zinc/40/96/60/1188409660.db2.gz OOHUIEMQOMSWBV-BMFZPTHFSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1c(C)nnn1CC ZINC001087529699 1189384474 /nfs/dbraw/zinc/38/44/74/1189384474.db2.gz QMJNNGAZCCYXMV-UXLLHSPISA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1c(C)nnn1CC ZINC001087529699 1189384477 /nfs/dbraw/zinc/38/44/77/1189384477.db2.gz QMJNNGAZCCYXMV-UXLLHSPISA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1c(C)nnn1CC ZINC001087529699 1189384482 /nfs/dbraw/zinc/38/44/82/1189384482.db2.gz QMJNNGAZCCYXMV-UXLLHSPISA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1c(C)nnn1CC ZINC001087529699 1189384485 /nfs/dbraw/zinc/38/44/85/1189384485.db2.gz QMJNNGAZCCYXMV-UXLLHSPISA-N 2 2 364.494 0.406 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCn1cncn1 ZINC001087629004 1189690131 /nfs/dbraw/zinc/69/01/31/1189690131.db2.gz XSOOLDLYVJQWNI-BHYGNILZSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCn1cncn1 ZINC001087629004 1189690146 /nfs/dbraw/zinc/69/01/46/1189690146.db2.gz XSOOLDLYVJQWNI-BHYGNILZSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1cnn(C)c1 ZINC001087700215 1189777443 /nfs/dbraw/zinc/77/74/43/1189777443.db2.gz FIQOSZWVWRWGNH-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1cnn(C)c1 ZINC001087700215 1189777478 /nfs/dbraw/zinc/77/74/78/1189777478.db2.gz FIQOSZWVWRWGNH-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1cnn(C)c1 ZINC001087700215 1189777505 /nfs/dbraw/zinc/77/75/05/1189777505.db2.gz FIQOSZWVWRWGNH-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1cnn(C)c1 ZINC001087700215 1189777531 /nfs/dbraw/zinc/77/75/31/1189777531.db2.gz FIQOSZWVWRWGNH-KSZLIROESA-N 2 2 363.506 0.998 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271144045 1189815006 /nfs/dbraw/zinc/81/50/06/1189815006.db2.gz RNYDEQZDBHZUDC-QFBILLFUSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144045 1189815008 /nfs/dbraw/zinc/81/50/08/1189815008.db2.gz RNYDEQZDBHZUDC-QFBILLFUSA-N 2 2 359.474 0.855 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271144297 1189816325 /nfs/dbraw/zinc/81/63/25/1189816325.db2.gz ZNBMQSDLUUNQKY-LPHOPBHVSA-N 2 2 359.474 0.961 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271144297 1189816326 /nfs/dbraw/zinc/81/63/26/1189816326.db2.gz ZNBMQSDLUUNQKY-LPHOPBHVSA-N 2 2 359.474 0.961 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cn5c([nH+]4)CCCC5)[C@@H]3C2)C1=O ZINC001075819013 1189818335 /nfs/dbraw/zinc/81/83/35/1189818335.db2.gz SFNUXSXTILRAMQ-USXIJHARSA-N 2 2 371.485 0.525 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087797553 1189827926 /nfs/dbraw/zinc/82/79/26/1189827926.db2.gz WBLLSGCSAUQBLO-DLBZAZTESA-N 2 2 361.490 0.944 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087797553 1189827927 /nfs/dbraw/zinc/82/79/27/1189827927.db2.gz WBLLSGCSAUQBLO-DLBZAZTESA-N 2 2 361.490 0.944 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087798932 1189828444 /nfs/dbraw/zinc/82/84/44/1189828444.db2.gz VBZPQDJALJFWQB-JKSUJKDBSA-N 2 2 359.474 0.963 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CC(=O)N1CCC1 ZINC001087798932 1189828445 /nfs/dbraw/zinc/82/84/45/1189828445.db2.gz VBZPQDJALJFWQB-JKSUJKDBSA-N 2 2 359.474 0.963 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001087810595 1189832488 /nfs/dbraw/zinc/83/24/88/1189832488.db2.gz BQURPWQONSGJRV-HLLBOEOZSA-N 2 2 360.462 0.487 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087810595 1189832492 /nfs/dbraw/zinc/83/24/92/1189832492.db2.gz BQURPWQONSGJRV-HLLBOEOZSA-N 2 2 360.462 0.487 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840316 1189847804 /nfs/dbraw/zinc/84/78/04/1189847804.db2.gz RADHOCYFBCMYHW-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840316 1189847805 /nfs/dbraw/zinc/84/78/05/1189847805.db2.gz RADHOCYFBCMYHW-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840316 1189847811 /nfs/dbraw/zinc/84/78/11/1189847811.db2.gz RADHOCYFBCMYHW-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840316 1189847812 /nfs/dbraw/zinc/84/78/12/1189847812.db2.gz RADHOCYFBCMYHW-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920575 1189907753 /nfs/dbraw/zinc/90/77/53/1189907753.db2.gz ULTLSXNANAYDPA-RVKKMQEKSA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920575 1189907758 /nfs/dbraw/zinc/90/77/58/1189907758.db2.gz ULTLSXNANAYDPA-RVKKMQEKSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920575 1189907765 /nfs/dbraw/zinc/90/77/65/1189907765.db2.gz ULTLSXNANAYDPA-RVKKMQEKSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(F)cn4)CC[C@@H]3C2)C1 ZINC001087920575 1189907771 /nfs/dbraw/zinc/90/77/71/1189907771.db2.gz ULTLSXNANAYDPA-RVKKMQEKSA-N 2 2 362.449 0.832 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963826 1190008416 /nfs/dbraw/zinc/00/84/16/1190008416.db2.gz JEFNHKSZWMFICN-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963826 1190008424 /nfs/dbraw/zinc/00/84/24/1190008424.db2.gz JEFNHKSZWMFICN-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963826 1190008430 /nfs/dbraw/zinc/00/84/30/1190008430.db2.gz JEFNHKSZWMFICN-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963826 1190008438 /nfs/dbraw/zinc/00/84/38/1190008438.db2.gz JEFNHKSZWMFICN-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967878 1190024884 /nfs/dbraw/zinc/02/48/84/1190024884.db2.gz PXSUCKAIJQAJKJ-IXDOHACOSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967878 1190024892 /nfs/dbraw/zinc/02/48/92/1190024892.db2.gz PXSUCKAIJQAJKJ-IXDOHACOSA-N 2 2 358.490 0.437 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986625 1190119034 /nfs/dbraw/zinc/11/90/34/1190119034.db2.gz URKDIUJGFJHBJK-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986625 1190119036 /nfs/dbraw/zinc/11/90/36/1190119036.db2.gz URKDIUJGFJHBJK-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986625 1190119039 /nfs/dbraw/zinc/11/90/39/1190119039.db2.gz URKDIUJGFJHBJK-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087986625 1190119041 /nfs/dbraw/zinc/11/90/41/1190119041.db2.gz URKDIUJGFJHBJK-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)nn1 ZINC001087993625 1190144912 /nfs/dbraw/zinc/14/49/12/1190144912.db2.gz WDVWFPPHJDQTGI-SOLBZPMBSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@@H]3C2)nn1 ZINC001087993625 1190144914 /nfs/dbraw/zinc/14/49/14/1190144914.db2.gz WDVWFPPHJDQTGI-SOLBZPMBSA-N 2 2 360.506 0.919 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012026 1190210588 /nfs/dbraw/zinc/21/05/88/1190210588.db2.gz OXDBWEZOQBZPHY-JJAZEVLHSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012026 1190210594 /nfs/dbraw/zinc/21/05/94/1190210594.db2.gz OXDBWEZOQBZPHY-JJAZEVLHSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nonc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012026 1190210600 /nfs/dbraw/zinc/21/06/00/1190210600.db2.gz OXDBWEZOQBZPHY-JJAZEVLHSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nonc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012026 1190210607 /nfs/dbraw/zinc/21/06/07/1190210607.db2.gz OXDBWEZOQBZPHY-JJAZEVLHSA-N 2 2 363.462 0.377 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088011390 1190210620 /nfs/dbraw/zinc/21/06/20/1190210620.db2.gz LLQMMAZMSDANOB-OWCLPIDISA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088011390 1190210626 /nfs/dbraw/zinc/21/06/26/1190210626.db2.gz LLQMMAZMSDANOB-OWCLPIDISA-N 2 2 363.510 0.704 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001088017270 1190226203 /nfs/dbraw/zinc/22/62/03/1190226203.db2.gz STUOYCGWRRCNAE-XHSDSOJGSA-N 2 2 369.473 0.555 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001088017270 1190226208 /nfs/dbraw/zinc/22/62/08/1190226208.db2.gz STUOYCGWRRCNAE-XHSDSOJGSA-N 2 2 369.473 0.555 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@@H]3C2)n1 ZINC001088106017 1190591267 /nfs/dbraw/zinc/59/12/67/1190591267.db2.gz KTMPQTKCNGIUIN-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@@H]3C2)n1 ZINC001088106017 1190591278 /nfs/dbraw/zinc/59/12/78/1190591278.db2.gz KTMPQTKCNGIUIN-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@@H]3C2)n1 ZINC001088106017 1190591287 /nfs/dbraw/zinc/59/12/87/1190591287.db2.gz KTMPQTKCNGIUIN-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@@H]3C2)n1 ZINC001088106017 1190591299 /nfs/dbraw/zinc/59/12/99/1190591299.db2.gz KTMPQTKCNGIUIN-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]2C1 ZINC001088107005 1190594176 /nfs/dbraw/zinc/59/41/76/1190594176.db2.gz AVMHRKRPXJSZGI-KGLIPLIRSA-N 2 2 361.446 0.150 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]2C1 ZINC001088107005 1190594182 /nfs/dbraw/zinc/59/41/82/1190594182.db2.gz AVMHRKRPXJSZGI-KGLIPLIRSA-N 2 2 361.446 0.150 20 0 FCADLP CNC(=O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001271783354 1190699093 /nfs/dbraw/zinc/69/90/93/1190699093.db2.gz BZXRFEQFNIVTBW-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CNC(=O)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001271783354 1190699095 /nfs/dbraw/zinc/69/90/95/1190699095.db2.gz BZXRFEQFNIVTBW-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075866774 1190719428 /nfs/dbraw/zinc/71/94/28/1190719428.db2.gz RCPZRMHHMTXCJG-USXIJHARSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075866774 1190719429 /nfs/dbraw/zinc/71/94/29/1190719429.db2.gz RCPZRMHHMTXCJG-USXIJHARSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075866774 1190719430 /nfs/dbraw/zinc/71/94/30/1190719430.db2.gz RCPZRMHHMTXCJG-USXIJHARSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001075866774 1190719431 /nfs/dbraw/zinc/71/94/31/1190719431.db2.gz RCPZRMHHMTXCJG-USXIJHARSA-N 2 2 358.446 0.133 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000985822501 1190822773 /nfs/dbraw/zinc/82/27/73/1190822773.db2.gz FGEBUSWBWOMANS-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000985822501 1190822775 /nfs/dbraw/zinc/82/27/75/1190822775.db2.gz FGEBUSWBWOMANS-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986020979 1190867667 /nfs/dbraw/zinc/86/76/67/1190867667.db2.gz PLZCESFPNNFIEJ-CVEARBPZSA-N 2 2 370.457 0.854 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1)[NH+](C)C ZINC000986424153 1190986527 /nfs/dbraw/zinc/98/65/27/1190986527.db2.gz BMHRHGXDXUFBDY-VYDXJSESSA-N 2 2 361.490 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000986464692 1190996393 /nfs/dbraw/zinc/99/63/93/1190996393.db2.gz ATVSPQIDRILNFM-WCXIOVBPSA-N 2 2 373.501 0.908 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000986464692 1190996394 /nfs/dbraw/zinc/99/63/94/1190996394.db2.gz ATVSPQIDRILNFM-WCXIOVBPSA-N 2 2 373.501 0.908 20 0 FCADLP CCCCN1C(=O)C[C@@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276760906 1224125725 /nfs/dbraw/zinc/12/57/25/1224125725.db2.gz BIKRRFWLJRFSSS-LJQANCHMSA-N 2 2 364.490 0.402 20 0 FCADLP CCCCN1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276760906 1224125727 /nfs/dbraw/zinc/12/57/27/1224125727.db2.gz BIKRRFWLJRFSSS-LJQANCHMSA-N 2 2 364.490 0.402 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986684128 1191086375 /nfs/dbraw/zinc/08/63/75/1191086375.db2.gz PQOHKSVKMLXAEF-XHSDSOJGSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986684128 1191086379 /nfs/dbraw/zinc/08/63/79/1191086379.db2.gz PQOHKSVKMLXAEF-XHSDSOJGSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986764701 1191094876 /nfs/dbraw/zinc/09/48/76/1191094876.db2.gz IVUPCRKHHQMDAO-XHSDSOJGSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986764701 1191094880 /nfs/dbraw/zinc/09/48/80/1191094880.db2.gz IVUPCRKHHQMDAO-XHSDSOJGSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000986917128 1191100504 /nfs/dbraw/zinc/10/05/04/1191100504.db2.gz ITQLWMCHZCLSHP-BFYDXBDKSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000986917128 1191100507 /nfs/dbraw/zinc/10/05/07/1191100507.db2.gz ITQLWMCHZCLSHP-BFYDXBDKSA-N 2 2 361.490 0.967 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001059867223 1191175969 /nfs/dbraw/zinc/17/59/69/1191175969.db2.gz KVCOKVLQZFSQPZ-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001059867223 1191175971 /nfs/dbraw/zinc/17/59/71/1191175971.db2.gz KVCOKVLQZFSQPZ-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP COC(=O)N1CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000729611304 1191189384 /nfs/dbraw/zinc/18/93/84/1191189384.db2.gz OAMNFFYNUMHWQP-OAHLLOKOSA-N 2 2 369.510 0.885 20 0 FCADLP COC(=O)N1CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000729611304 1191189387 /nfs/dbraw/zinc/18/93/87/1191189387.db2.gz OAMNFFYNUMHWQP-OAHLLOKOSA-N 2 2 369.510 0.885 20 0 FCADLP CC(C)=CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276764517 1224133946 /nfs/dbraw/zinc/13/39/46/1224133946.db2.gz WUMHVUPLRBIHJI-KRWDZBQOSA-N 2 2 362.518 0.945 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21 ZINC001218049186 1224136685 /nfs/dbraw/zinc/13/66/85/1224136685.db2.gz QBLPUVVBYCGMFZ-YESZJQIVSA-N 2 2 367.469 0.512 20 0 FCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276775010 1224145344 /nfs/dbraw/zinc/14/53/44/1224145344.db2.gz UMYQRVGGZXOEJE-SFHVURJKSA-N 2 2 361.446 0.203 20 0 FCADLP CN(C)C(=O)CC[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276775010 1224145347 /nfs/dbraw/zinc/14/53/47/1224145347.db2.gz UMYQRVGGZXOEJE-SFHVURJKSA-N 2 2 361.446 0.203 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181101 1224145961 /nfs/dbraw/zinc/14/59/61/1224145961.db2.gz SDRFPBDORWJHMI-RYQLBKOJSA-N 2 2 362.474 0.782 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181101 1224145963 /nfs/dbraw/zinc/14/59/63/1224145963.db2.gz SDRFPBDORWJHMI-RYQLBKOJSA-N 2 2 362.474 0.782 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181623 1224146159 /nfs/dbraw/zinc/14/61/59/1224146159.db2.gz WHVRAADPMUYSMX-BPQIPLTHSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181623 1224146163 /nfs/dbraw/zinc/14/61/63/1224146163.db2.gz WHVRAADPMUYSMX-BPQIPLTHSA-N 2 2 362.474 0.784 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550756818 1193761464 /nfs/dbraw/zinc/76/14/64/1193761464.db2.gz KSOYJHXPNJZMRJ-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)[C@H]1CCN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000550761347 1193762143 /nfs/dbraw/zinc/76/21/43/1193762143.db2.gz BULAOKFXRMLHTP-KRWDZBQOSA-N 2 2 369.469 0.753 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1)NC1CC1 ZINC001691602358 1193791741 /nfs/dbraw/zinc/79/17/41/1193791741.db2.gz ZNHFYBHZRGENEY-SQWLQELKSA-N 2 2 359.474 0.599 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691621480 1193807339 /nfs/dbraw/zinc/80/73/39/1193807339.db2.gz WMROHMZHHGUFRR-RBSFLKMASA-N 2 2 368.503 0.919 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1[NH+](C)C ZINC000550871899 1193816354 /nfs/dbraw/zinc/81/63/54/1193816354.db2.gz VZCPAHVVXARKFV-QAPCUYQASA-N 2 2 369.469 0.956 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075948810 1193825569 /nfs/dbraw/zinc/82/55/69/1193825569.db2.gz JJYSIHAKDKKZOR-KNXALSJPSA-N 2 2 367.409 0.514 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075948810 1193825572 /nfs/dbraw/zinc/82/55/72/1193825572.db2.gz JJYSIHAKDKKZOR-KNXALSJPSA-N 2 2 367.409 0.514 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551140848 1193836788 /nfs/dbraw/zinc/83/67/88/1193836788.db2.gz XCVLFLYVXYDVPL-HOTGVXAUSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551140848 1193836791 /nfs/dbraw/zinc/83/67/91/1193836791.db2.gz XCVLFLYVXYDVPL-HOTGVXAUSA-N 2 2 359.474 0.621 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557958 1224172649 /nfs/dbraw/zinc/17/26/49/1224172649.db2.gz NVHKSJLOULTMEO-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557958 1224172653 /nfs/dbraw/zinc/17/26/53/1224172653.db2.gz NVHKSJLOULTMEO-HRCADAONSA-N 2 2 368.522 0.543 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000551349149 1193851285 /nfs/dbraw/zinc/85/12/85/1193851285.db2.gz AUGNBDQAHYUYEN-QGZVFWFLSA-N 2 2 373.501 0.965 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551493427 1193860377 /nfs/dbraw/zinc/86/03/77/1193860377.db2.gz GHHNRWNAJUZFDM-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551493427 1193860381 /nfs/dbraw/zinc/86/03/81/1193860381.db2.gz GHHNRWNAJUZFDM-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551493427 1193860382 /nfs/dbraw/zinc/86/03/82/1193860382.db2.gz GHHNRWNAJUZFDM-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551493427 1193860384 /nfs/dbraw/zinc/86/03/84/1193860384.db2.gz GHHNRWNAJUZFDM-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCc5[nH+]ccn5C4)[C@@H]3C2)cn1 ZINC001075965716 1193885415 /nfs/dbraw/zinc/88/54/15/1193885415.db2.gz AQOWBDNTNJGLCK-OKZBNKHCSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCc5[nH+]ccn5C4)[C@@H]3C2)cn1 ZINC001075965716 1193885418 /nfs/dbraw/zinc/88/54/18/1193885418.db2.gz AQOWBDNTNJGLCK-OKZBNKHCSA-N 2 2 368.485 0.954 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472641 1193903462 /nfs/dbraw/zinc/90/34/62/1193903462.db2.gz JOPSHUZKSGYYIJ-DZUCGIPZSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472641 1193903469 /nfs/dbraw/zinc/90/34/69/1193903469.db2.gz JOPSHUZKSGYYIJ-DZUCGIPZSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472641 1193903481 /nfs/dbraw/zinc/90/34/81/1193903481.db2.gz JOPSHUZKSGYYIJ-DZUCGIPZSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)n1 ZINC001083472641 1193903483 /nfs/dbraw/zinc/90/34/83/1193903483.db2.gz JOPSHUZKSGYYIJ-DZUCGIPZSA-N 2 2 362.474 0.482 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083472879 1193905101 /nfs/dbraw/zinc/90/51/01/1193905101.db2.gz VFQGVWGRRAKUFG-FPCVCCKLSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083472879 1193905106 /nfs/dbraw/zinc/90/51/06/1193905106.db2.gz VFQGVWGRRAKUFG-FPCVCCKLSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083472879 1193905109 /nfs/dbraw/zinc/90/51/09/1193905109.db2.gz VFQGVWGRRAKUFG-FPCVCCKLSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083472879 1193905114 /nfs/dbraw/zinc/90/51/14/1193905114.db2.gz VFQGVWGRRAKUFG-FPCVCCKLSA-N 2 2 364.490 0.937 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083477868 1193924899 /nfs/dbraw/zinc/92/48/99/1193924899.db2.gz JFYVRKAMCLUZSI-BBWFWOEESA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001083477868 1193924902 /nfs/dbraw/zinc/92/49/02/1193924902.db2.gz JFYVRKAMCLUZSI-BBWFWOEESA-N 2 2 362.474 0.492 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000552470626 1193932759 /nfs/dbraw/zinc/93/27/59/1193932759.db2.gz AVVMJLYDGLPWMQ-PVAVHDDUSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000552470626 1193932762 /nfs/dbraw/zinc/93/27/62/1193932762.db2.gz AVVMJLYDGLPWMQ-PVAVHDDUSA-N 2 2 364.490 0.099 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581780 1224178304 /nfs/dbraw/zinc/17/83/04/1224178304.db2.gz JPAXDCIETHXKON-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581780 1224178306 /nfs/dbraw/zinc/17/83/06/1224178306.db2.gz JPAXDCIETHXKON-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105668320 1193949248 /nfs/dbraw/zinc/94/92/48/1193949248.db2.gz JJCBMAVVZDKRHM-FPAYPSAMSA-N 2 2 364.490 0.609 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553024562 1193965654 /nfs/dbraw/zinc/96/56/54/1193965654.db2.gz HNWHXCOQMDJZET-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553024562 1193965655 /nfs/dbraw/zinc/96/56/55/1193965655.db2.gz HNWHXCOQMDJZET-KRWDZBQOSA-N 2 2 368.522 0.546 20 0 FCADLP Cc1nc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc(N2CCOCC2)n1 ZINC001218621912 1224183552 /nfs/dbraw/zinc/18/35/52/1224183552.db2.gz WBQRPTVNYFUYKI-OAHLLOKOSA-N 2 2 356.430 0.832 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21)[NH+](CC)CC ZINC001218623807 1224184327 /nfs/dbraw/zinc/18/43/27/1224184327.db2.gz IHTYIADHVPRLCM-OKZBNKHCSA-N 2 2 363.506 0.952 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105670100 1193998133 /nfs/dbraw/zinc/99/81/33/1193998133.db2.gz XTOPXPGJTPURBA-RWQQGDIJSA-N 2 2 364.490 0.873 20 0 FCADLP COc1c[nH+]c(NCC2=CC[N@H+](C)CC2)nc1NCC1=CC[NH+](C)CC1 ZINC000553516457 1194004347 /nfs/dbraw/zinc/00/43/47/1194004347.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 3 2 358.490 0.677 20 0 FCADLP COc1c[nH+]c(NCC2=CC[N@@H+](C)CC2)nc1NCC1=CC[NH+](C)CC1 ZINC000553516457 1194004351 /nfs/dbraw/zinc/00/43/51/1194004351.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 3 2 358.490 0.677 20 0 FCADLP COc1c[nH+]c(NCC2=CC[NH+](C)CC2)nc1NCC1=CC[N@H+](C)CC1 ZINC000553516457 1194004353 /nfs/dbraw/zinc/00/43/53/1194004353.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 3 2 358.490 0.677 20 0 FCADLP COc1c[nH+]c(NCC2=CC[NH+](C)CC2)nc1NCC1=CC[N@@H+](C)CC1 ZINC000553516457 1194004357 /nfs/dbraw/zinc/00/43/57/1194004357.db2.gz IPUMGPFEHCBSJM-UHFFFAOYSA-N 3 2 358.490 0.677 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(CC)C3CC3)C[C@@H]21)[NH+](C)C ZINC001218645597 1224189278 /nfs/dbraw/zinc/18/92/78/1224189278.db2.gz JZOODXWTCQZHTF-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(CC)C3CC3)C[C@@H]21)[NH+](C)C ZINC001218645597 1224189281 /nfs/dbraw/zinc/18/92/81/1224189281.db2.gz JZOODXWTCQZHTF-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518681 1194122514 /nfs/dbraw/zinc/12/25/14/1194122514.db2.gz LJGUKEUNNWUASR-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518681 1194122520 /nfs/dbraw/zinc/12/25/20/1194122520.db2.gz LJGUKEUNNWUASR-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518681 1194122524 /nfs/dbraw/zinc/12/25/24/1194122524.db2.gz LJGUKEUNNWUASR-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518681 1194122528 /nfs/dbraw/zinc/12/25/28/1194122528.db2.gz LJGUKEUNNWUASR-JQHSSLGASA-N 2 2 361.490 0.424 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524025 1194154858 /nfs/dbraw/zinc/15/48/58/1194154858.db2.gz DMLGNGZRORDPJR-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524025 1194154862 /nfs/dbraw/zinc/15/48/62/1194154862.db2.gz DMLGNGZRORDPJR-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524025 1194154868 /nfs/dbraw/zinc/15/48/68/1194154868.db2.gz DMLGNGZRORDPJR-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524025 1194154871 /nfs/dbraw/zinc/15/48/71/1194154871.db2.gz DMLGNGZRORDPJR-KURKYZTESA-N 2 2 361.490 0.709 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)n1 ZINC001076047749 1194272732 /nfs/dbraw/zinc/27/27/32/1194272732.db2.gz BTURCVCSFUXNMM-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)n1 ZINC001076047749 1194272739 /nfs/dbraw/zinc/27/27/39/1194272739.db2.gz BTURCVCSFUXNMM-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001076107030 1194309337 /nfs/dbraw/zinc/30/93/37/1194309337.db2.gz JYHHTDHEALHADL-GVDBMIGSSA-N 2 2 358.446 0.064 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001076107030 1194309342 /nfs/dbraw/zinc/30/93/42/1194309342.db2.gz JYHHTDHEALHADL-GVDBMIGSSA-N 2 2 358.446 0.064 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001076186503 1194344542 /nfs/dbraw/zinc/34/45/42/1194344542.db2.gz IBGPNXKPNVKBEN-YQQAZPJKSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001076186503 1194344546 /nfs/dbraw/zinc/34/45/46/1194344546.db2.gz IBGPNXKPNVKBEN-YQQAZPJKSA-N 2 2 359.474 0.375 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206256 1194353342 /nfs/dbraw/zinc/35/33/42/1194353342.db2.gz GSUVATKMIZBEAV-FUHWJXTLSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076206256 1194353345 /nfs/dbraw/zinc/35/33/45/1194353345.db2.gz GSUVATKMIZBEAV-FUHWJXTLSA-N 2 2 360.506 0.981 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076303279 1194386314 /nfs/dbraw/zinc/38/63/14/1194386314.db2.gz PFROFUGUIULBOJ-OWCLPIDISA-N 2 2 360.462 0.392 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076303279 1194386320 /nfs/dbraw/zinc/38/63/20/1194386320.db2.gz PFROFUGUIULBOJ-OWCLPIDISA-N 2 2 360.462 0.392 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076294482 1194386455 /nfs/dbraw/zinc/38/64/55/1194386455.db2.gz NIQLRMCCADCMLU-YQQAZPJKSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076294482 1194386461 /nfs/dbraw/zinc/38/64/61/1194386461.db2.gz NIQLRMCCADCMLU-YQQAZPJKSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076304612 1194386758 /nfs/dbraw/zinc/38/67/58/1194386758.db2.gz XDISUZJNDPUPBP-YESZJQIVSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076304612 1194386762 /nfs/dbraw/zinc/38/67/62/1194386762.db2.gz XDISUZJNDPUPBP-YESZJQIVSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295797 1194388144 /nfs/dbraw/zinc/38/81/44/1194388144.db2.gz YLPZQFVKOVRROX-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295797 1194388149 /nfs/dbraw/zinc/38/81/49/1194388149.db2.gz YLPZQFVKOVRROX-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218798698 1224226510 /nfs/dbraw/zinc/22/65/10/1224226510.db2.gz WPQBNDXMLVOFBE-ZDUSSCGKSA-N 2 2 372.429 0.107 20 0 FCADLP Cn1nnc2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)Cn5cc[nH+]c5)[C@@H]4C3)ccc21 ZINC001076632518 1194606997 /nfs/dbraw/zinc/60/69/97/1194606997.db2.gz DKLHKDUIBYGZHE-MAUKXSAKSA-N 2 2 365.441 0.898 20 0 FCADLP Cn1nnc2cc(C[N@H+]3C[C@@H]4CCN(C(=O)Cn5cc[nH+]c5)[C@@H]4C3)ccc21 ZINC001076632518 1194607000 /nfs/dbraw/zinc/60/70/00/1194607000.db2.gz DKLHKDUIBYGZHE-MAUKXSAKSA-N 2 2 365.441 0.898 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874609 1224243915 /nfs/dbraw/zinc/24/39/15/1224243915.db2.gz ZQWUSXMGHIXNME-QGZVFWFLSA-N 2 2 358.446 0.033 20 0 FCADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1 ZINC001218883591 1224248415 /nfs/dbraw/zinc/24/84/15/1224248415.db2.gz NNLVITZVZOBPGB-BBRMVZONSA-N 2 2 373.457 0.818 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001218893061 1224249926 /nfs/dbraw/zinc/24/99/26/1224249926.db2.gz KCMZGYADYANGPZ-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001218893061 1224249937 /nfs/dbraw/zinc/24/99/37/1224249937.db2.gz KCMZGYADYANGPZ-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP CCc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805879 1195026516 /nfs/dbraw/zinc/02/65/16/1195026516.db2.gz XNFPSFKDJFEFAT-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001076805879 1195026520 /nfs/dbraw/zinc/02/65/20/1195026520.db2.gz XNFPSFKDJFEFAT-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805879 1195026524 /nfs/dbraw/zinc/02/65/24/1195026524.db2.gz XNFPSFKDJFEFAT-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001076805879 1195026528 /nfs/dbraw/zinc/02/65/28/1195026528.db2.gz XNFPSFKDJFEFAT-GUDVDZBRSA-N 2 2 361.486 0.883 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999125 1195125884 /nfs/dbraw/zinc/12/58/84/1195125884.db2.gz FIMGMQZOXLCRBG-HZPDHXFCSA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[NH+]1CCCCC1 ZINC001076999125 1195125895 /nfs/dbraw/zinc/12/58/95/1195125895.db2.gz FIMGMQZOXLCRBG-HZPDHXFCSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077027815 1195157296 /nfs/dbraw/zinc/15/72/96/1195157296.db2.gz QLQYTHFCRRUXRJ-BSDSXHPESA-N 2 2 374.485 0.177 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]2O)CC[N@H+]1C ZINC001077027815 1195157298 /nfs/dbraw/zinc/15/72/98/1195157298.db2.gz QLQYTHFCRRUXRJ-BSDSXHPESA-N 2 2 374.485 0.177 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]2O)CC[NH+]1C ZINC001077027815 1195157300 /nfs/dbraw/zinc/15/73/00/1195157300.db2.gz QLQYTHFCRRUXRJ-BSDSXHPESA-N 2 2 374.485 0.177 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]2O)CC[NH+]1C ZINC001077027815 1195157301 /nfs/dbraw/zinc/15/73/01/1195157301.db2.gz QLQYTHFCRRUXRJ-BSDSXHPESA-N 2 2 374.485 0.177 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)ncn1 ZINC001083563211 1195219139 /nfs/dbraw/zinc/21/91/39/1195219139.db2.gz DXEIKWCYSVJDRU-SJORKVTESA-N 2 2 359.474 0.322 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)ncn1 ZINC001083563211 1195219146 /nfs/dbraw/zinc/21/91/46/1195219146.db2.gz DXEIKWCYSVJDRU-SJORKVTESA-N 2 2 359.474 0.322 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001077131509 1195247676 /nfs/dbraw/zinc/24/76/76/1195247676.db2.gz DMLGNGZRORDPJR-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001077131509 1195247678 /nfs/dbraw/zinc/24/76/78/1195247678.db2.gz DMLGNGZRORDPJR-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001077131509 1195247682 /nfs/dbraw/zinc/24/76/82/1195247682.db2.gz DMLGNGZRORDPJR-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001077131509 1195247685 /nfs/dbraw/zinc/24/76/85/1195247685.db2.gz DMLGNGZRORDPJR-RCCFBDPRSA-N 2 2 361.490 0.709 20 0 FCADLP C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218943751 1224269177 /nfs/dbraw/zinc/26/91/77/1224269177.db2.gz ACEMGDODJGDCGB-LRDDRELGSA-N 2 2 372.473 0.236 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251892 1195356860 /nfs/dbraw/zinc/35/68/60/1195356860.db2.gz UINPORQTDCSDCN-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251892 1195356868 /nfs/dbraw/zinc/35/68/68/1195356868.db2.gz UINPORQTDCSDCN-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077259200 1195363270 /nfs/dbraw/zinc/36/32/70/1195363270.db2.gz KSFSAFZZCUJRCO-KZNAEPCWSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077259200 1195363277 /nfs/dbraw/zinc/36/32/77/1195363277.db2.gz KSFSAFZZCUJRCO-KZNAEPCWSA-N 2 2 354.454 0.850 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570720 1195375309 /nfs/dbraw/zinc/37/53/09/1195375309.db2.gz LJAURQYTCBOSRM-SJORKVTESA-N 2 2 354.414 0.314 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570720 1195375314 /nfs/dbraw/zinc/37/53/14/1195375314.db2.gz LJAURQYTCBOSRM-SJORKVTESA-N 2 2 354.414 0.314 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308560 1195408697 /nfs/dbraw/zinc/40/86/97/1195408697.db2.gz AAMVEXGOVUKIEE-KFWWJZLASA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308560 1195408702 /nfs/dbraw/zinc/40/87/02/1195408702.db2.gz AAMVEXGOVUKIEE-KFWWJZLASA-N 2 2 366.368 0.533 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572160 1195425478 /nfs/dbraw/zinc/42/54/78/1195425478.db2.gz CTDAKUBSBGUCMJ-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572160 1195425483 /nfs/dbraw/zinc/42/54/83/1195425483.db2.gz CTDAKUBSBGUCMJ-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572160 1195425490 /nfs/dbraw/zinc/42/54/90/1195425490.db2.gz CTDAKUBSBGUCMJ-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083572160 1195425496 /nfs/dbraw/zinc/42/54/96/1195425496.db2.gz CTDAKUBSBGUCMJ-KURKYZTESA-N 2 2 365.449 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366413 1195466305 /nfs/dbraw/zinc/46/63/05/1195466305.db2.gz GNDRRGNUOIFWHR-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366413 1195466309 /nfs/dbraw/zinc/46/63/09/1195466309.db2.gz GNDRRGNUOIFWHR-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]21 ZINC001219002797 1224282915 /nfs/dbraw/zinc/28/29/15/1224282915.db2.gz CTDLDNMLUUNXSF-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]21 ZINC001219002797 1224282924 /nfs/dbraw/zinc/28/29/24/1224282924.db2.gz CTDLDNMLUUNXSF-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001219001051 1224283216 /nfs/dbraw/zinc/28/32/16/1224283216.db2.gz MTHXDYGEMZCMOG-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]21 ZINC001219001051 1224283220 /nfs/dbraw/zinc/28/32/20/1224283220.db2.gz MTHXDYGEMZCMOG-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077392711 1195491075 /nfs/dbraw/zinc/49/10/75/1195491075.db2.gz NOAMJSRJTTZERW-HZPDHXFCSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001077392711 1195491079 /nfs/dbraw/zinc/49/10/79/1195491079.db2.gz NOAMJSRJTTZERW-HZPDHXFCSA-N 2 2 362.405 0.571 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)no1 ZINC001083590512 1195585300 /nfs/dbraw/zinc/58/53/00/1195585300.db2.gz ISUVFPCQHOGYAP-XKQJLSEDSA-N 2 2 366.462 0.470 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083590959 1195587360 /nfs/dbraw/zinc/58/73/60/1195587360.db2.gz DNVMNHUXRZDKEB-SJORKVTESA-N 2 2 354.414 0.351 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000906175663 1195616912 /nfs/dbraw/zinc/61/69/12/1195616912.db2.gz WRHIWDDZPZTSFP-UHFFFAOYSA-N 2 2 373.545 0.544 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000906175663 1195616921 /nfs/dbraw/zinc/61/69/21/1195616921.db2.gz WRHIWDDZPZTSFP-UHFFFAOYSA-N 2 2 373.545 0.544 20 0 FCADLP CN1CC[NH+](Cc2ccc(CNC(=O)C3CN(C)CC[N@H+](C)C3)cc2)CC1 ZINC000906175663 1195616924 /nfs/dbraw/zinc/61/69/24/1195616924.db2.gz WRHIWDDZPZTSFP-UHFFFAOYSA-N 2 2 373.545 0.544 20 0 FCADLP CN1CC[NH+](Cc2ccc(CNC(=O)C3CN(C)CC[N@@H+](C)C3)cc2)CC1 ZINC000906175663 1195616929 /nfs/dbraw/zinc/61/69/29/1195616929.db2.gz WRHIWDDZPZTSFP-UHFFFAOYSA-N 2 2 373.545 0.544 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906603520 1195641452 /nfs/dbraw/zinc/64/14/52/1195641452.db2.gz WVQYCEWAQMHRKQ-UHFFFAOYSA-N 2 2 364.490 0.349 20 0 FCADLP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906665286 1195643665 /nfs/dbraw/zinc/64/36/65/1195643665.db2.gz VGQTXXFBTZOFGZ-QGZVFWFLSA-N 3 2 373.501 0.711 20 0 FCADLP CN(C(=O)C(=O)Nc1ccccc1C[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906665286 1195643668 /nfs/dbraw/zinc/64/36/68/1195643668.db2.gz VGQTXXFBTZOFGZ-QGZVFWFLSA-N 3 2 373.501 0.711 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725047 1195656067 /nfs/dbraw/zinc/65/60/67/1195656067.db2.gz ITWLAEBNYDVWPN-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725047 1195656073 /nfs/dbraw/zinc/65/60/73/1195656073.db2.gz ITWLAEBNYDVWPN-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725044 1195656326 /nfs/dbraw/zinc/65/63/26/1195656326.db2.gz ITWLAEBNYDVWPN-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725044 1195656333 /nfs/dbraw/zinc/65/63/33/1195656333.db2.gz ITWLAEBNYDVWPN-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)n1 ZINC001083607085 1195685121 /nfs/dbraw/zinc/68/51/21/1195685121.db2.gz FGYMOEGGGXSOSA-MSOLQXFVSA-N 2 2 368.441 0.623 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)n1 ZINC001083607085 1195685125 /nfs/dbraw/zinc/68/51/25/1195685125.db2.gz FGYMOEGGGXSOSA-MSOLQXFVSA-N 2 2 368.441 0.623 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cn1 ZINC001083607457 1195685897 /nfs/dbraw/zinc/68/58/97/1195685897.db2.gz ZGSVFSOKYKUADH-SJORKVTESA-N 2 2 354.414 0.085 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cn1 ZINC001083607457 1195685905 /nfs/dbraw/zinc/68/59/05/1195685905.db2.gz ZGSVFSOKYKUADH-SJORKVTESA-N 2 2 354.414 0.085 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000907835945 1195714541 /nfs/dbraw/zinc/71/45/41/1195714541.db2.gz LDKMGAZYYULGCK-INIZCTEOSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000907835945 1195714545 /nfs/dbraw/zinc/71/45/45/1195714545.db2.gz LDKMGAZYYULGCK-INIZCTEOSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000907835945 1195714547 /nfs/dbraw/zinc/71/45/47/1195714547.db2.gz LDKMGAZYYULGCK-INIZCTEOSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000907835945 1195714550 /nfs/dbraw/zinc/71/45/50/1195714550.db2.gz LDKMGAZYYULGCK-INIZCTEOSA-N 2 2 369.506 0.831 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccn1CC[NH+]1CCOCC1 ZINC000908527366 1195750866 /nfs/dbraw/zinc/75/08/66/1195750866.db2.gz SHRIIZAWOITKKS-KRWDZBQOSA-N 2 2 364.490 0.397 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccn1CC[NH+]1CCOCC1 ZINC000908527366 1195750871 /nfs/dbraw/zinc/75/08/71/1195750871.db2.gz SHRIIZAWOITKKS-KRWDZBQOSA-N 2 2 364.490 0.397 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052161 1224322042 /nfs/dbraw/zinc/32/20/42/1224322042.db2.gz ITNPRCIOMGONLD-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052161 1224322052 /nfs/dbraw/zinc/32/20/52/1224322052.db2.gz ITNPRCIOMGONLD-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360715 1196321620 /nfs/dbraw/zinc/32/16/20/1196321620.db2.gz NEVGCOFUYWCOFJ-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2ccnn2C)CC3)O1 ZINC000991360715 1196321625 /nfs/dbraw/zinc/32/16/25/1196321625.db2.gz NEVGCOFUYWCOFJ-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2ccnn2C)CC3)O1 ZINC000991360715 1196321629 /nfs/dbraw/zinc/32/16/29/1196321629.db2.gz NEVGCOFUYWCOFJ-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2ccnn2C)CC3)O1 ZINC000991360715 1196321633 /nfs/dbraw/zinc/32/16/33/1196321633.db2.gz NEVGCOFUYWCOFJ-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668176 1196389339 /nfs/dbraw/zinc/38/93/39/1196389339.db2.gz FZYSTEJCJYZFDZ-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001083668176 1196389343 /nfs/dbraw/zinc/38/93/43/1196389343.db2.gz FZYSTEJCJYZFDZ-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668567 1196391011 /nfs/dbraw/zinc/39/10/11/1196391011.db2.gz VPGNQTICDCTIMX-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668567 1196391015 /nfs/dbraw/zinc/39/10/15/1196391015.db2.gz VPGNQTICDCTIMX-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1=O ZINC000591650851 1196523342 /nfs/dbraw/zinc/52/33/42/1196523342.db2.gz MFRFZIVJOVZOOM-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1=O ZINC000591650851 1196523347 /nfs/dbraw/zinc/52/33/47/1196523347.db2.gz MFRFZIVJOVZOOM-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC000591650851 1196523351 /nfs/dbraw/zinc/52/33/51/1196523351.db2.gz MFRFZIVJOVZOOM-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC000591650851 1196523356 /nfs/dbraw/zinc/52/33/56/1196523356.db2.gz MFRFZIVJOVZOOM-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000592885331 1196587058 /nfs/dbraw/zinc/58/70/58/1196587058.db2.gz QAVSEVYSBZJGNB-DOTOQJQBSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991745380 1196761535 /nfs/dbraw/zinc/76/15/35/1196761535.db2.gz CHGLRDDUGUDXKQ-NVXWUHKLSA-N 2 2 371.485 0.577 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088945070 1196845009 /nfs/dbraw/zinc/84/50/09/1196845009.db2.gz OBEHFKYGKMFOEJ-PBHICJAKSA-N 2 2 368.441 0.692 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088945070 1196845010 /nfs/dbraw/zinc/84/50/10/1196845010.db2.gz OBEHFKYGKMFOEJ-PBHICJAKSA-N 2 2 368.441 0.692 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088984632 1196856892 /nfs/dbraw/zinc/85/68/92/1196856892.db2.gz LDEZAQUELVOADV-CJNGLKHVSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088984632 1196856894 /nfs/dbraw/zinc/85/68/94/1196856894.db2.gz LDEZAQUELVOADV-CJNGLKHVSA-N 2 2 359.474 0.961 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n3nccc3[nH]2)[C@@H]1C ZINC001089041463 1196873004 /nfs/dbraw/zinc/87/30/04/1196873004.db2.gz XKHRRICYUQYJLY-DOMZBBRYSA-N 2 2 369.429 0.307 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n3nccc3[nH]2)[C@@H]1C ZINC001089041463 1196873005 /nfs/dbraw/zinc/87/30/05/1196873005.db2.gz XKHRRICYUQYJLY-DOMZBBRYSA-N 2 2 369.429 0.307 20 0 FCADLP COc1coc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)cc1=O ZINC001089040792 1196873097 /nfs/dbraw/zinc/87/30/97/1196873097.db2.gz MGOGDSOWKSAVLI-DOMZBBRYSA-N 2 2 360.414 0.933 20 0 FCADLP COc1coc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)cc1=O ZINC001089040792 1196873098 /nfs/dbraw/zinc/87/30/98/1196873098.db2.gz MGOGDSOWKSAVLI-DOMZBBRYSA-N 2 2 360.414 0.933 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992238211 1197029989 /nfs/dbraw/zinc/02/99/89/1197029989.db2.gz DBNZKEVVPNETRF-ZLHSVIROSA-N 2 2 359.474 0.725 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@H]12 ZINC000992238211 1197029995 /nfs/dbraw/zinc/02/99/95/1197029995.db2.gz DBNZKEVVPNETRF-ZLHSVIROSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)CC[N@@H+]1C ZINC000992308463 1197057937 /nfs/dbraw/zinc/05/79/37/1197057937.db2.gz CEEDWQGGQGCLDS-XYPHTWIQSA-N 2 2 359.474 0.352 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)CC[N@H+]1C ZINC000992308463 1197057942 /nfs/dbraw/zinc/05/79/42/1197057942.db2.gz CEEDWQGGQGCLDS-XYPHTWIQSA-N 2 2 359.474 0.352 20 0 FCADLP C[C@H](C(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1)n1cc[nH+]c1 ZINC001272454277 1197086637 /nfs/dbraw/zinc/08/66/37/1197086637.db2.gz YIEYCUDFEWJOHY-ZBFHGGJFSA-N 2 2 357.458 0.742 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001272466218 1197101123 /nfs/dbraw/zinc/10/11/23/1197101123.db2.gz ATFZDOJZHJXHKJ-MRXNPFEDSA-N 2 2 358.446 0.238 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001272467989 1197104884 /nfs/dbraw/zinc/10/48/84/1197104884.db2.gz TXZGOUKNBLNQDP-HRCADAONSA-N 2 2 357.414 0.393 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(=O)[nH]1 ZINC001272467989 1197104885 /nfs/dbraw/zinc/10/48/85/1197104885.db2.gz TXZGOUKNBLNQDP-HRCADAONSA-N 2 2 357.414 0.393 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992691474 1197303417 /nfs/dbraw/zinc/30/34/17/1197303417.db2.gz WALPOKIUAASJRJ-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992691474 1197303422 /nfs/dbraw/zinc/30/34/22/1197303422.db2.gz WALPOKIUAASJRJ-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP COC(=O)c1ccc(N(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C2CC2)c(N)c1 ZINC001219313514 1224422678 /nfs/dbraw/zinc/42/26/78/1224422678.db2.gz ZGOITWMFFIPSHH-HNNXBMFYSA-N 2 2 357.414 0.854 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992994180 1197656748 /nfs/dbraw/zinc/65/67/48/1197656748.db2.gz WOAFZOUSJMIYFV-ASKKUZCQSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992994180 1197656753 /nfs/dbraw/zinc/65/67/53/1197656753.db2.gz WOAFZOUSJMIYFV-ASKKUZCQSA-N 2 2 373.501 0.989 20 0 FCADLP COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277095 1197743625 /nfs/dbraw/zinc/74/36/25/1197743625.db2.gz XSEZHLOQMZZRJJ-CABCVRRESA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277095 1197743640 /nfs/dbraw/zinc/74/36/40/1197743640.db2.gz XSEZHLOQMZZRJJ-CABCVRRESA-N 2 2 367.494 0.685 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1)N1CCC1 ZINC001085249552 1197748213 /nfs/dbraw/zinc/74/82/13/1197748213.db2.gz IXEDLAPGFGWDLL-ARFHVFGLSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001085250443 1197750003 /nfs/dbraw/zinc/75/00/03/1197750003.db2.gz UTWGDOSEINASCE-KBRIMQKVSA-N 2 2 357.462 0.791 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001085253113 1197750913 /nfs/dbraw/zinc/75/09/13/1197750913.db2.gz XKZUOCKSSVKFGH-ZIAGYGMSSA-N 2 2 361.450 0.696 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723594 1197756298 /nfs/dbraw/zinc/75/62/98/1197756298.db2.gz QSCJSQKBVKVFIH-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723594 1197756309 /nfs/dbraw/zinc/75/63/09/1197756309.db2.gz QSCJSQKBVKVFIH-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723594 1197756316 /nfs/dbraw/zinc/75/63/16/1197756316.db2.gz QSCJSQKBVKVFIH-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723594 1197756329 /nfs/dbraw/zinc/75/63/29/1197756329.db2.gz QSCJSQKBVKVFIH-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1)[NH+](C)C ZINC000993073828 1197791951 /nfs/dbraw/zinc/79/19/51/1197791951.db2.gz QQXHTBQVUDNNIA-MDZRGWNJSA-N 2 2 361.490 0.920 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)[NH+](C)C ZINC000993079876 1197803010 /nfs/dbraw/zinc/80/30/10/1197803010.db2.gz CISYKNDNNIZHHT-KVSKMBFKSA-N 2 2 361.490 0.776 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106278692 1197819552 /nfs/dbraw/zinc/81/95/52/1197819552.db2.gz HLGMFDFXWUPZCS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106278692 1197819556 /nfs/dbraw/zinc/81/95/56/1197819556.db2.gz HLGMFDFXWUPZCS-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083727098 1197830764 /nfs/dbraw/zinc/83/07/64/1197830764.db2.gz KVLGAFOXUHGASE-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083727098 1197830766 /nfs/dbraw/zinc/83/07/66/1197830766.db2.gz KVLGAFOXUHGASE-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083727098 1197830767 /nfs/dbraw/zinc/83/07/67/1197830767.db2.gz KVLGAFOXUHGASE-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)cn1 ZINC001083727098 1197830768 /nfs/dbraw/zinc/83/07/68/1197830768.db2.gz KVLGAFOXUHGASE-LLLHUVSDSA-N 2 2 362.474 0.482 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001085338169 1197832213 /nfs/dbraw/zinc/83/22/13/1197832213.db2.gz QSJARBXIRTZUFD-KLHDSHLOSA-N 2 2 357.462 0.832 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001085345960 1197835480 /nfs/dbraw/zinc/83/54/80/1197835480.db2.gz ZCNPGXADDJDHQN-HUUCEWRRSA-N 2 2 369.429 0.505 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001085375660 1197849708 /nfs/dbraw/zinc/84/97/08/1197849708.db2.gz XQXXXUACWSEXFI-RBSFLKMASA-N 2 2 363.462 0.217 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1)C(N)=O ZINC001085391586 1197861111 /nfs/dbraw/zinc/86/11/11/1197861111.db2.gz MFVTZPRPFGBFGK-NWANDNLSSA-N 2 2 356.430 0.772 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C2)c[nH+]1 ZINC001106309630 1197861319 /nfs/dbraw/zinc/86/13/19/1197861319.db2.gz CNZCUHPULJJFPR-GDBMZVCRSA-N 2 2 359.478 0.902 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106334004 1197869019 /nfs/dbraw/zinc/86/90/19/1197869019.db2.gz SDEDCLKLBWWSRF-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106340385 1197870129 /nfs/dbraw/zinc/87/01/29/1197870129.db2.gz VOAAROZCTWCFOT-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343269 1197872176 /nfs/dbraw/zinc/87/21/76/1197872176.db2.gz WZXROZINMDZYQT-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001085424275 1197888722 /nfs/dbraw/zinc/88/87/22/1197888722.db2.gz GUYHOMFICOQVJT-ZIAGYGMSSA-N 2 2 361.450 0.858 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993158225 1197902471 /nfs/dbraw/zinc/90/24/71/1197902471.db2.gz TVQPLUMDRWTHOP-TXPKVOOTSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993158225 1197902477 /nfs/dbraw/zinc/90/24/77/1197902477.db2.gz TVQPLUMDRWTHOP-TXPKVOOTSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)CCO1 ZINC001085438720 1197906258 /nfs/dbraw/zinc/90/62/58/1197906258.db2.gz DIPQYBXQFCEPRK-BZUAXINKSA-N 2 2 363.462 0.147 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993163383 1197914756 /nfs/dbraw/zinc/91/47/56/1197914756.db2.gz DZFASKRRWHTUJV-ALKREAHSSA-N 2 2 361.490 0.989 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993174477 1197930535 /nfs/dbraw/zinc/93/05/35/1197930535.db2.gz IEXDSYZEXAOFHN-QFBILLFUSA-N 2 2 370.457 0.785 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601687 1197951547 /nfs/dbraw/zinc/95/15/47/1197951547.db2.gz DNKCCNYFHBPHNZ-NUJGCVRESA-N 2 2 366.506 0.012 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601687 1197951563 /nfs/dbraw/zinc/95/15/63/1197951563.db2.gz DNKCCNYFHBPHNZ-NUJGCVRESA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305025 1197973998 /nfs/dbraw/zinc/97/39/98/1197973998.db2.gz WULNYGOCXWILMU-PMPSAXMXSA-N 2 2 367.538 0.957 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305025 1197974000 /nfs/dbraw/zinc/97/40/00/1197974000.db2.gz WULNYGOCXWILMU-PMPSAXMXSA-N 2 2 367.538 0.957 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085670688 1197978824 /nfs/dbraw/zinc/97/88/24/1197978824.db2.gz CGZGQWJMGDBFDK-FGTMMUONSA-N 2 2 363.506 0.752 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085670688 1197978833 /nfs/dbraw/zinc/97/88/33/1197978833.db2.gz CGZGQWJMGDBFDK-FGTMMUONSA-N 2 2 363.506 0.752 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085670688 1197978837 /nfs/dbraw/zinc/97/88/37/1197978837.db2.gz CGZGQWJMGDBFDK-FGTMMUONSA-N 2 2 363.506 0.752 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086088548 1198151005 /nfs/dbraw/zinc/15/10/05/1198151005.db2.gz CLOMGOFKFSTESG-UUAJXVIYSA-N 2 2 371.485 0.527 20 0 FCADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C(=O)N(C)C1=O ZINC000743401807 1198264411 /nfs/dbraw/zinc/26/44/11/1198264411.db2.gz BAOQPYYWOVNYOY-UHFFFAOYSA-N 2 2 359.430 0.998 20 0 FCADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)C(=O)N(C)C1=O ZINC000743401807 1198264428 /nfs/dbraw/zinc/26/44/28/1198264428.db2.gz BAOQPYYWOVNYOY-UHFFFAOYSA-N 2 2 359.430 0.998 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086398895 1198352396 /nfs/dbraw/zinc/35/23/96/1198352396.db2.gz FZHOYJHKNSPTTA-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086398895 1198352401 /nfs/dbraw/zinc/35/24/01/1198352401.db2.gz FZHOYJHKNSPTTA-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001219488884 1224485787 /nfs/dbraw/zinc/48/57/87/1224485787.db2.gz ANTKBGXJCXRZCN-GUYCJALGSA-N 3 2 361.490 0.853 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)Nc1cccc3c1[C@@H]1C[NH2+]C[C@H]1O3)C[NH2+]C2 ZINC001219533676 1224500822 /nfs/dbraw/zinc/50/08/22/1224500822.db2.gz NSSUDZOGAFRXRT-UEKVPHQBSA-N 2 2 354.414 0.571 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794299 1198946106 /nfs/dbraw/zinc/94/61/06/1198946106.db2.gz YORLYWIAYYPZJO-ZWKOTPCHSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794299 1198946111 /nfs/dbraw/zinc/94/61/11/1198946111.db2.gz YORLYWIAYYPZJO-ZWKOTPCHSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000745794299 1198946117 /nfs/dbraw/zinc/94/61/17/1198946117.db2.gz YORLYWIAYYPZJO-ZWKOTPCHSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000745794299 1198946121 /nfs/dbraw/zinc/94/61/21/1198946121.db2.gz YORLYWIAYYPZJO-ZWKOTPCHSA-N 3 2 369.554 0.765 20 0 FCADLP NC(=O)C1([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000746472746 1199035094 /nfs/dbraw/zinc/03/50/94/1199035094.db2.gz MCBCXVQLHIHVEJ-UHFFFAOYSA-N 2 2 374.485 0.523 20 0 FCADLP CON(C)C(=O)[C@@H]1CCc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2O1 ZINC001169075000 1199044720 /nfs/dbraw/zinc/04/47/20/1199044720.db2.gz DPRGIYWDAJJCFO-DYVFJYSZSA-N 2 2 360.414 0.448 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](Nc2cccc(NC(=O)NC3CC[NH2+]CC3)c2)C[NH2+]1 ZINC001169136326 1199048415 /nfs/dbraw/zinc/04/84/15/1199048415.db2.gz JUHNIBCKURJCJJ-CVEARBPZSA-N 2 2 361.446 0.876 20 0 FCADLP CC[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001169253836 1199057800 /nfs/dbraw/zinc/05/78/00/1199057800.db2.gz KZBAGNCRWHTNNK-SQNIBIBYSA-N 2 2 359.474 0.923 20 0 FCADLP CC[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001169253836 1199057804 /nfs/dbraw/zinc/05/78/04/1199057804.db2.gz KZBAGNCRWHTNNK-SQNIBIBYSA-N 2 2 359.474 0.923 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001109223135 1200118868 /nfs/dbraw/zinc/11/88/68/1200118868.db2.gz NJCJVVQFYZQMDL-KBXIAJHMSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001109223135 1200118873 /nfs/dbraw/zinc/11/88/73/1200118873.db2.gz NJCJVVQFYZQMDL-KBXIAJHMSA-N 2 2 355.446 0.843 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308003 1200156663 /nfs/dbraw/zinc/15/66/63/1200156663.db2.gz KGYUVAFNOGJCPH-QZWWFDLISA-N 2 2 362.474 0.491 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308003 1200156668 /nfs/dbraw/zinc/15/66/68/1200156668.db2.gz KGYUVAFNOGJCPH-QZWWFDLISA-N 2 2 362.474 0.491 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386033 1200236430 /nfs/dbraw/zinc/23/64/30/1200236430.db2.gz JECRWPHFOBDEQV-QZWWFDLISA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386033 1200236441 /nfs/dbraw/zinc/23/64/41/1200236441.db2.gz JECRWPHFOBDEQV-QZWWFDLISA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386033 1200236448 /nfs/dbraw/zinc/23/64/48/1200236448.db2.gz JECRWPHFOBDEQV-QZWWFDLISA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386033 1200236463 /nfs/dbraw/zinc/23/64/63/1200236463.db2.gz JECRWPHFOBDEQV-QZWWFDLISA-N 2 2 366.462 0.088 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419468 1200257464 /nfs/dbraw/zinc/25/74/64/1200257464.db2.gz QZLXHLCPQZLGOQ-XGUBFFRZSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419468 1200257472 /nfs/dbraw/zinc/25/74/72/1200257472.db2.gz QZLXHLCPQZLGOQ-XGUBFFRZSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419468 1200257479 /nfs/dbraw/zinc/25/74/79/1200257479.db2.gz QZLXHLCPQZLGOQ-XGUBFFRZSA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109419468 1200257483 /nfs/dbraw/zinc/25/74/83/1200257483.db2.gz QZLXHLCPQZLGOQ-XGUBFFRZSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449211 1200287652 /nfs/dbraw/zinc/28/76/52/1200287652.db2.gz KDHWGFYMYGEURL-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449211 1200287663 /nfs/dbraw/zinc/28/76/63/1200287663.db2.gz KDHWGFYMYGEURL-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001109547390 1200372376 /nfs/dbraw/zinc/37/23/76/1200372376.db2.gz XWICTOLOXJKSML-NCOADZHNSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001109547390 1200372381 /nfs/dbraw/zinc/37/23/81/1200372381.db2.gz XWICTOLOXJKSML-NCOADZHNSA-N 2 2 372.473 0.332 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)CC1 ZINC001109671451 1200458347 /nfs/dbraw/zinc/45/83/47/1200458347.db2.gz JRZGDPSYEXJNLG-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)CC1 ZINC001109671451 1200458357 /nfs/dbraw/zinc/45/83/57/1200458357.db2.gz JRZGDPSYEXJNLG-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671392 1200458578 /nfs/dbraw/zinc/45/85/78/1200458578.db2.gz GNNXRVCOLISUHI-QZWWFDLISA-N 2 2 363.462 0.215 20 0 FCADLP CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001109671392 1200458581 /nfs/dbraw/zinc/45/85/81/1200458581.db2.gz GNNXRVCOLISUHI-QZWWFDLISA-N 2 2 363.462 0.215 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001109671417 1200458716 /nfs/dbraw/zinc/45/87/16/1200458716.db2.gz HVTAOCYGBIBZFL-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109671417 1200458722 /nfs/dbraw/zinc/45/87/22/1200458722.db2.gz HVTAOCYGBIBZFL-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001109671417 1200458730 /nfs/dbraw/zinc/45/87/30/1200458730.db2.gz HVTAOCYGBIBZFL-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109671417 1200458737 /nfs/dbraw/zinc/45/87/37/1200458737.db2.gz HVTAOCYGBIBZFL-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109719123 1200485434 /nfs/dbraw/zinc/48/54/34/1200485434.db2.gz VTRIKNGVBKXNMV-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109719123 1200485438 /nfs/dbraw/zinc/48/54/38/1200485438.db2.gz VTRIKNGVBKXNMV-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109719123 1200485443 /nfs/dbraw/zinc/48/54/43/1200485443.db2.gz VTRIKNGVBKXNMV-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001109719123 1200485448 /nfs/dbraw/zinc/48/54/48/1200485448.db2.gz VTRIKNGVBKXNMV-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729227 1200491302 /nfs/dbraw/zinc/49/13/02/1200491302.db2.gz ZLMTVSSLXHXKRF-SQNIBIBYSA-N 2 2 358.486 0.628 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729227 1200491309 /nfs/dbraw/zinc/49/13/09/1200491309.db2.gz ZLMTVSSLXHXKRF-SQNIBIBYSA-N 2 2 358.486 0.628 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109729227 1200491313 /nfs/dbraw/zinc/49/13/13/1200491313.db2.gz ZLMTVSSLXHXKRF-SQNIBIBYSA-N 2 2 358.486 0.628 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109729227 1200491323 /nfs/dbraw/zinc/49/13/23/1200491323.db2.gz ZLMTVSSLXHXKRF-SQNIBIBYSA-N 2 2 358.486 0.628 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798630 1224618483 /nfs/dbraw/zinc/61/84/83/1224618483.db2.gz PEVCVTCVXUYHFD-ZNMIVQPWSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798630 1224618489 /nfs/dbraw/zinc/61/84/89/1224618489.db2.gz PEVCVTCVXUYHFD-ZNMIVQPWSA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109868497 1200578616 /nfs/dbraw/zinc/57/86/16/1200578616.db2.gz TYBIBZPBGNVGPM-NCOADZHNSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001109868497 1200578623 /nfs/dbraw/zinc/57/86/23/1200578623.db2.gz TYBIBZPBGNVGPM-NCOADZHNSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110016663 1200705991 /nfs/dbraw/zinc/70/59/91/1200705991.db2.gz YYRHWPNDKAPFAT-XGUBFFRZSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110016663 1200705995 /nfs/dbraw/zinc/70/59/95/1200705995.db2.gz YYRHWPNDKAPFAT-XGUBFFRZSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110016663 1200706000 /nfs/dbraw/zinc/70/60/00/1200706000.db2.gz YYRHWPNDKAPFAT-XGUBFFRZSA-N 2 2 367.494 0.284 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110016663 1200706008 /nfs/dbraw/zinc/70/60/08/1200706008.db2.gz YYRHWPNDKAPFAT-XGUBFFRZSA-N 2 2 367.494 0.284 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCN(C)C1=O ZINC001110053279 1200739589 /nfs/dbraw/zinc/73/95/89/1200739589.db2.gz DIRVHKDVGPBTRE-BSWAZPDLSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCN(C)C1=O ZINC001110053279 1200739592 /nfs/dbraw/zinc/73/95/92/1200739592.db2.gz DIRVHKDVGPBTRE-BSWAZPDLSA-N 2 2 359.474 0.695 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660950 1200785634 /nfs/dbraw/zinc/78/56/34/1200785634.db2.gz LKYHCZPHMUMXGF-IAGOWNOFSA-N 2 2 367.490 0.585 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660950 1200785643 /nfs/dbraw/zinc/78/56/43/1200785643.db2.gz LKYHCZPHMUMXGF-IAGOWNOFSA-N 2 2 367.490 0.585 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816070 1224633356 /nfs/dbraw/zinc/63/33/56/1224633356.db2.gz XLAIJSQJIJUATH-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816070 1224633361 /nfs/dbraw/zinc/63/33/61/1224633361.db2.gz XLAIJSQJIJUATH-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816070 1224633366 /nfs/dbraw/zinc/63/33/66/1224633366.db2.gz XLAIJSQJIJUATH-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816070 1224633369 /nfs/dbraw/zinc/63/33/69/1224633369.db2.gz XLAIJSQJIJUATH-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000788564110 1200965765 /nfs/dbraw/zinc/96/57/65/1200965765.db2.gz PHYWEHPEOCSXNM-OWCLPIDISA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000788564110 1200965772 /nfs/dbraw/zinc/96/57/72/1200965772.db2.gz PHYWEHPEOCSXNM-OWCLPIDISA-N 2 2 359.474 0.869 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365852 1201073198 /nfs/dbraw/zinc/07/31/98/1201073198.db2.gz HYYWTDZXAMOEEH-IBGZPJMESA-N 3 2 366.506 0.903 20 0 FCADLP O=C1O[C@@]2(CN1CN1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371628 1201074665 /nfs/dbraw/zinc/07/46/65/1201074665.db2.gz TVLYEZHNJCZSLN-PKOBYXMFSA-N 2 2 364.490 0.657 20 0 FCADLP NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588628 1201096177 /nfs/dbraw/zinc/09/61/77/1201096177.db2.gz FQTIFUWXVZKGRY-RCCFBDPRSA-N 2 2 356.470 0.398 20 0 FCADLP NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588628 1201096185 /nfs/dbraw/zinc/09/61/85/1201096185.db2.gz FQTIFUWXVZKGRY-RCCFBDPRSA-N 2 2 356.470 0.398 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001219845327 1224651374 /nfs/dbraw/zinc/65/13/74/1224651374.db2.gz GLZZMDYQVAVBTA-RYRKJORJSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001219845327 1224651376 /nfs/dbraw/zinc/65/13/76/1224651376.db2.gz GLZZMDYQVAVBTA-RYRKJORJSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001219847014 1224651717 /nfs/dbraw/zinc/65/17/17/1224651717.db2.gz OSAPEJQAMYNZAI-IKGGRYGDSA-N 2 2 365.522 0.886 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001219847014 1224651722 /nfs/dbraw/zinc/65/17/22/1224651722.db2.gz OSAPEJQAMYNZAI-IKGGRYGDSA-N 2 2 365.522 0.886 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1O)[NH+](C)C ZINC001090457360 1201161287 /nfs/dbraw/zinc/16/12/87/1201161287.db2.gz RCEGTLMZBSYTMN-IXDOHACOSA-N 2 2 361.490 0.670 20 0 FCADLP CC[C@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CCO1 ZINC001170193705 1201199137 /nfs/dbraw/zinc/19/91/37/1201199137.db2.gz RZNICEVEGVJORL-TUUVXOQKSA-N 2 2 363.462 0.359 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCC1 ZINC000793712171 1201254449 /nfs/dbraw/zinc/25/44/49/1201254449.db2.gz ZSAUUFRDZUJQAS-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129403603 1201308494 /nfs/dbraw/zinc/30/84/94/1201308494.db2.gz FHKKOBIGLMCESQ-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129403603 1201308499 /nfs/dbraw/zinc/30/84/99/1201308499.db2.gz FHKKOBIGLMCESQ-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129403603 1201308505 /nfs/dbraw/zinc/30/85/05/1201308505.db2.gz FHKKOBIGLMCESQ-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129403603 1201308512 /nfs/dbraw/zinc/30/85/12/1201308512.db2.gz FHKKOBIGLMCESQ-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476422 1201322650 /nfs/dbraw/zinc/32/26/50/1201322650.db2.gz HPVBYAOAEZIHLW-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129476422 1201322655 /nfs/dbraw/zinc/32/26/55/1201322655.db2.gz HPVBYAOAEZIHLW-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877404 1224668606 /nfs/dbraw/zinc/66/86/06/1224668606.db2.gz DLMIMSQBHQKCTL-CABCVRRESA-N 2 2 366.462 0.003 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877404 1224668612 /nfs/dbraw/zinc/66/86/12/1224668612.db2.gz DLMIMSQBHQKCTL-CABCVRRESA-N 2 2 366.462 0.003 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1)OC ZINC001129803240 1201397176 /nfs/dbraw/zinc/39/71/76/1201397176.db2.gz BOBYHXBAKKDSJF-ZNMIVQPWSA-N 2 2 361.450 0.401 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917255 1201427645 /nfs/dbraw/zinc/42/76/45/1201427645.db2.gz OVFXPMIZXMAWQE-ZNMIVQPWSA-N 2 2 361.425 0.438 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129901529 1201433632 /nfs/dbraw/zinc/43/36/32/1201433632.db2.gz YUHXXWAUTOAKOA-MGPQQGTHSA-N 2 2 362.405 0.798 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129901529 1201433633 /nfs/dbraw/zinc/43/36/33/1201433633.db2.gz YUHXXWAUTOAKOA-MGPQQGTHSA-N 2 2 362.405 0.798 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941330 1201440120 /nfs/dbraw/zinc/44/01/20/1201440120.db2.gz UZDISEHCOZBBKM-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896919 1224673842 /nfs/dbraw/zinc/67/38/42/1224673842.db2.gz OVSSHLXIIVZQPH-XHSDSOJGSA-N 2 2 370.538 0.429 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896919 1224673844 /nfs/dbraw/zinc/67/38/44/1224673844.db2.gz OVSSHLXIIVZQPH-XHSDSOJGSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896919 1224673846 /nfs/dbraw/zinc/67/38/46/1224673846.db2.gz OVSSHLXIIVZQPH-XHSDSOJGSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001219896919 1224673849 /nfs/dbraw/zinc/67/38/49/1224673849.db2.gz OVSSHLXIIVZQPH-XHSDSOJGSA-N 2 2 370.538 0.429 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626627 1201451315 /nfs/dbraw/zinc/45/13/15/1201451315.db2.gz XIMZAYWTXHORES-RYQLBKOJSA-N 2 2 369.469 0.944 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626627 1201451317 /nfs/dbraw/zinc/45/13/17/1201451317.db2.gz XIMZAYWTXHORES-RYQLBKOJSA-N 2 2 369.469 0.944 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001130054745 1201483778 /nfs/dbraw/zinc/48/37/78/1201483778.db2.gz NCZDXGYPEMHYHV-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP COCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130056952 1201484391 /nfs/dbraw/zinc/48/43/91/1201484391.db2.gz BDLFSDQKNJOCDX-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130085995 1201494363 /nfs/dbraw/zinc/49/43/63/1201494363.db2.gz GSXLOOOQVHIEPQ-MJBXVCDLSA-N 2 2 361.450 0.355 20 0 FCADLP C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130110071 1201503862 /nfs/dbraw/zinc/50/38/62/1201503862.db2.gz SYDUWHFZSMTOEH-BMFZPTHFSA-N 2 2 363.441 0.734 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130110195 1201504378 /nfs/dbraw/zinc/50/43/78/1201504378.db2.gz ZISUTYPNVNGCHD-IMJJTQAJSA-N 2 2 361.450 0.021 20 0 FCADLP CCOC(=O)Cc1ccc(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001220011094 1224726304 /nfs/dbraw/zinc/72/63/04/1224726304.db2.gz QTPJWXZWCAUXNZ-QGZVFWFLSA-N 2 2 362.474 0.159 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008668 1224725934 /nfs/dbraw/zinc/72/59/34/1224725934.db2.gz AVAHKEKIEFJGSS-OAGGEKHMSA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008668 1224725935 /nfs/dbraw/zinc/72/59/35/1224725935.db2.gz AVAHKEKIEFJGSS-OAGGEKHMSA-N 2 2 359.430 0.153 20 0 FCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1C[NH+](C)C1 ZINC001220013233 1224727422 /nfs/dbraw/zinc/72/74/22/1224727422.db2.gz MFBDIXUNBWWKEQ-IRXDYDNUSA-N 2 2 362.474 0.223 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712857 1202759556 /nfs/dbraw/zinc/75/95/56/1202759556.db2.gz OTYMCXPPYIGERR-UKPHBRMFSA-N 2 2 360.462 0.315 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130721440 1202766584 /nfs/dbraw/zinc/76/65/84/1202766584.db2.gz HQQZGYDVJOZGPS-DOTOQJQBSA-N 2 2 360.462 0.053 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)[NH+](C)C ZINC001130787436 1202797176 /nfs/dbraw/zinc/79/71/76/1202797176.db2.gz QMUDIUXYQNWEMH-GUTXKFCHSA-N 2 2 370.473 0.786 20 0 FCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807280770 1202816609 /nfs/dbraw/zinc/81/66/09/1202816609.db2.gz KTSICCYHHXYOCY-IRXDYDNUSA-N 2 2 371.441 0.848 20 0 FCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000807280770 1202816612 /nfs/dbraw/zinc/81/66/12/1202816612.db2.gz KTSICCYHHXYOCY-IRXDYDNUSA-N 2 2 371.441 0.848 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)cn1 ZINC001220078690 1224748419 /nfs/dbraw/zinc/74/84/19/1224748419.db2.gz YWMBUHBBHYYSDN-SJORKVTESA-N 2 2 361.490 0.711 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)cn1 ZINC001220078690 1224748425 /nfs/dbraw/zinc/74/84/25/1224748425.db2.gz YWMBUHBBHYYSDN-SJORKVTESA-N 2 2 361.490 0.711 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001131079461 1202860032 /nfs/dbraw/zinc/86/00/32/1202860032.db2.gz MQFKEWQFMFSPHJ-ARFHVFGLSA-N 2 2 360.462 0.534 20 0 FCADLP CNC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001134042861 1203010699 /nfs/dbraw/zinc/01/06/99/1203010699.db2.gz MSFPSJCHMOEZFM-HZPDHXFCSA-N 2 2 355.442 0.789 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1ccccc1 ZINC001134045354 1203010891 /nfs/dbraw/zinc/01/08/91/1203010891.db2.gz COADUBBGESGYSI-HZPDHXFCSA-N 2 2 355.442 0.546 20 0 FCADLP COc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001134045973 1203011630 /nfs/dbraw/zinc/01/16/30/1203011630.db2.gz SZLNJHKYYVSPAQ-HZPDHXFCSA-N 2 2 371.441 0.877 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086722604 1203023271 /nfs/dbraw/zinc/02/32/71/1203023271.db2.gz NBQGOZPCEQSDJA-GBJTYRQASA-N 2 2 360.462 0.413 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086722604 1203023275 /nfs/dbraw/zinc/02/32/75/1203023275.db2.gz NBQGOZPCEQSDJA-GBJTYRQASA-N 2 2 360.462 0.413 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1)N1CCC1 ZINC001086735583 1203061759 /nfs/dbraw/zinc/06/17/59/1203061759.db2.gz DMMFJRWJICTQPH-HRCADAONSA-N 2 2 359.474 0.552 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736663 1203062410 /nfs/dbraw/zinc/06/24/10/1203062410.db2.gz YWKUUBNDXABBFR-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)C2 ZINC001086737395 1203063172 /nfs/dbraw/zinc/06/31/72/1203063172.db2.gz IBBKKPVUBPHXMO-HRCADAONSA-N 2 2 371.489 0.989 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn3cncn3)C1)CC2 ZINC001086737395 1203063176 /nfs/dbraw/zinc/06/31/76/1203063176.db2.gz IBBKKPVUBPHXMO-HRCADAONSA-N 2 2 371.489 0.989 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086737410 1203063273 /nfs/dbraw/zinc/06/32/73/1203063273.db2.gz ISERAOKUFIHENF-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737585 1203063916 /nfs/dbraw/zinc/06/39/16/1203063916.db2.gz QKJHHOMMUNGCEV-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001086737870 1203064009 /nfs/dbraw/zinc/06/40/09/1203064009.db2.gz ZVDZCKJUKSXGIE-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)n1 ZINC001086784968 1203092433 /nfs/dbraw/zinc/09/24/33/1203092433.db2.gz DATFPPFNPURNFZ-XHSDSOJGSA-N 2 2 365.478 0.862 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)n1 ZINC001086784968 1203092435 /nfs/dbraw/zinc/09/24/35/1203092435.db2.gz DATFPPFNPURNFZ-XHSDSOJGSA-N 2 2 365.478 0.862 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220105840 1224765476 /nfs/dbraw/zinc/76/54/76/1224765476.db2.gz NWVBXOLRXDWQGJ-MSOLQXFVSA-N 2 2 358.442 0.651 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220105840 1224765478 /nfs/dbraw/zinc/76/54/78/1224765478.db2.gz NWVBXOLRXDWQGJ-MSOLQXFVSA-N 2 2 358.442 0.651 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000819837834 1203172073 /nfs/dbraw/zinc/17/20/73/1203172073.db2.gz SOFHOHPLAPQOBP-MJGOQNOKSA-N 2 2 361.486 0.757 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C)[NH+](C)C ZINC001090750298 1203285320 /nfs/dbraw/zinc/28/53/20/1203285320.db2.gz GJVUTNBVBARTFX-YUELXQCFSA-N 2 2 359.478 0.890 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2[NH2+]CCO)cc1 ZINC001090877649 1203326716 /nfs/dbraw/zinc/32/67/16/1203326716.db2.gz YBWUTFHLKFMFSG-ZWKOTPCHSA-N 2 2 358.442 0.858 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220186348 1224796938 /nfs/dbraw/zinc/79/69/38/1224796938.db2.gz OKKHXRPUFOPZMX-PLQHRBFRSA-N 2 2 364.396 0.457 20 0 FCADLP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220186262 1224797460 /nfs/dbraw/zinc/79/74/60/1224797460.db2.gz OBJNYTLWMUKFJO-DZGCQCFKSA-N 2 2 364.396 0.910 20 0 FCADLP COc1cc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)ccc1OC1COC1 ZINC001220191985 1224799657 /nfs/dbraw/zinc/79/96/57/1224799657.db2.gz VLGXOVCEYJUGTM-HNNXBMFYSA-N 2 2 360.414 0.393 20 0 FCADLP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220296612 1224822827 /nfs/dbraw/zinc/82/28/27/1224822827.db2.gz TVWMVNPGBLMWFK-SFHVURJKSA-N 2 2 358.442 0.839 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc(O)cn2)CC3)CC1 ZINC001144258498 1204441459 /nfs/dbraw/zinc/44/14/59/1204441459.db2.gz GPLRQLKOPGQBIJ-UHFFFAOYSA-N 2 2 354.458 0.930 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342559 1224834588 /nfs/dbraw/zinc/83/45/88/1224834588.db2.gz GLHOABNGOAOADK-IKGGRYGDSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001091095751 1204513094 /nfs/dbraw/zinc/51/30/94/1204513094.db2.gz BUASMPJYUYNXOO-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001091095751 1204513101 /nfs/dbraw/zinc/51/31/01/1204513101.db2.gz BUASMPJYUYNXOO-BNQIPGGESA-N 2 2 363.462 0.651 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342559 1224834590 /nfs/dbraw/zinc/83/45/90/1224834590.db2.gz GLHOABNGOAOADK-IKGGRYGDSA-N 2 2 368.522 0.137 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091185117 1204579588 /nfs/dbraw/zinc/57/95/88/1204579588.db2.gz SPFFKAHENDGXKI-CABCVRRESA-N 2 2 363.506 0.991 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091185117 1204579591 /nfs/dbraw/zinc/57/95/91/1204579591.db2.gz SPFFKAHENDGXKI-CABCVRRESA-N 2 2 363.506 0.991 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]Cc2nnnn2C2CC2)C1 ZINC001091239802 1204630755 /nfs/dbraw/zinc/63/07/55/1204630755.db2.gz KSCCAXKXZRAEPJ-BBNOBNGHSA-N 2 2 370.461 0.530 20 0 FCADLP CCn1ncc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001091239774 1204631082 /nfs/dbraw/zinc/63/10/82/1204631082.db2.gz IYWHIUKYIPSQBB-BCAXMMLOSA-N 2 2 357.462 0.820 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846769050 1204664561 /nfs/dbraw/zinc/66/45/61/1204664561.db2.gz GWJHZXMUYQOYSQ-GOSISDBHSA-N 2 2 370.494 0.064 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543512 1204708028 /nfs/dbraw/zinc/70/80/28/1204708028.db2.gz LRVJDTHDWWRZAP-LBTNJELSSA-N 2 2 361.446 0.488 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543512 1204708030 /nfs/dbraw/zinc/70/80/30/1204708030.db2.gz LRVJDTHDWWRZAP-LBTNJELSSA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543512 1204708033 /nfs/dbraw/zinc/70/80/33/1204708033.db2.gz LRVJDTHDWWRZAP-LBTNJELSSA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1 ZINC001091543512 1204708037 /nfs/dbraw/zinc/70/80/37/1204708037.db2.gz LRVJDTHDWWRZAP-LBTNJELSSA-N 2 2 361.446 0.488 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774196 1204807143 /nfs/dbraw/zinc/80/71/43/1204807143.db2.gz TZTACMFTPYBXHV-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774196 1204807147 /nfs/dbraw/zinc/80/71/47/1204807147.db2.gz TZTACMFTPYBXHV-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774196 1204807148 /nfs/dbraw/zinc/80/71/48/1204807148.db2.gz TZTACMFTPYBXHV-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774196 1204807149 /nfs/dbraw/zinc/80/71/49/1204807149.db2.gz TZTACMFTPYBXHV-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091678776 1204818080 /nfs/dbraw/zinc/81/80/80/1204818080.db2.gz OKLOWNUDPLGNEL-NLDJYOPPSA-N 2 2 371.485 0.420 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091678776 1204818082 /nfs/dbraw/zinc/81/80/82/1204818082.db2.gz OKLOWNUDPLGNEL-NLDJYOPPSA-N 2 2 371.485 0.420 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)n1 ZINC001091677710 1204818259 /nfs/dbraw/zinc/81/82/59/1204818259.db2.gz RQYZYTFLMLMROV-SUMDDJOVSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@]3(C)C2)n1 ZINC001091677710 1204818260 /nfs/dbraw/zinc/81/82/60/1204818260.db2.gz RQYZYTFLMLMROV-SUMDDJOVSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]C[C@H]2CCOC2)cn1 ZINC001086999647 1204888876 /nfs/dbraw/zinc/88/88/76/1204888876.db2.gz OWJZPXIUAKLBBU-XOKHGSTOSA-N 2 2 358.446 0.306 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087085343 1204973951 /nfs/dbraw/zinc/97/39/51/1204973951.db2.gz ZQNMVPIEIYFMOS-DNNBLBMLSA-N 2 2 374.445 0.560 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087094165 1204987073 /nfs/dbraw/zinc/98/70/73/1204987073.db2.gz ULCMHXBQVVQYOS-GDBMZVCRSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001087103938 1205001629 /nfs/dbraw/zinc/00/16/29/1205001629.db2.gz IFKHNIMWFBFQTN-NWANDNLSSA-N 2 2 361.450 0.524 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001087104015 1205001995 /nfs/dbraw/zinc/00/19/95/1205001995.db2.gz LKNDTPHDDGGALK-NWANDNLSSA-N 2 2 362.434 0.789 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087096933 1205005046 /nfs/dbraw/zinc/00/50/46/1205005046.db2.gz LQCGKEPHEVZMPN-GDBMZVCRSA-N 2 2 361.446 0.912 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091794982 1205015205 /nfs/dbraw/zinc/01/52/05/1205015205.db2.gz GDYAFAVZLNVTLL-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091794982 1205015211 /nfs/dbraw/zinc/01/52/11/1205015211.db2.gz GDYAFAVZLNVTLL-KHYOSLBOSA-N 2 2 359.474 0.314 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091800133 1205017801 /nfs/dbraw/zinc/01/78/01/1205017801.db2.gz KFXCTWDLXXGEGL-FCEWJHQRSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091800133 1205017803 /nfs/dbraw/zinc/01/78/03/1205017803.db2.gz KFXCTWDLXXGEGL-FCEWJHQRSA-N 2 2 369.473 0.518 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805766 1205019982 /nfs/dbraw/zinc/01/99/82/1205019982.db2.gz OZKJGBUXCMVYFT-DWQUBVKVSA-N 2 2 363.462 0.394 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091805766 1205019987 /nfs/dbraw/zinc/01/99/87/1205019987.db2.gz OZKJGBUXCMVYFT-DWQUBVKVSA-N 2 2 363.462 0.394 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001091845160 1205035901 /nfs/dbraw/zinc/03/59/01/1205035901.db2.gz LOSCGMLJNBRHDV-KUHUBIRLSA-N 2 2 368.441 0.407 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@]2(C)C1 ZINC001091845160 1205035904 /nfs/dbraw/zinc/03/59/04/1205035904.db2.gz LOSCGMLJNBRHDV-KUHUBIRLSA-N 2 2 368.441 0.407 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1 ZINC001091857730 1205052399 /nfs/dbraw/zinc/05/23/99/1205052399.db2.gz UAPFIUYECAILKI-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1 ZINC001091857730 1205052404 /nfs/dbraw/zinc/05/24/04/1205052404.db2.gz UAPFIUYECAILKI-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091898691 1205076853 /nfs/dbraw/zinc/07/68/53/1205076853.db2.gz RVVTUULBNOFPLV-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091898691 1205076858 /nfs/dbraw/zinc/07/68/58/1205076858.db2.gz RVVTUULBNOFPLV-APWZRJJASA-N 2 2 359.474 0.676 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)[C@@H]1C ZINC001091976980 1205106584 /nfs/dbraw/zinc/10/65/84/1205106584.db2.gz KDWJBFSYJBXLNP-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001091976980 1205106586 /nfs/dbraw/zinc/10/65/86/1205106586.db2.gz KDWJBFSYJBXLNP-ZBFHGGJFSA-N 2 2 360.506 0.890 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001220432169 1224870169 /nfs/dbraw/zinc/87/01/69/1224870169.db2.gz ZLMJZZLWGIGWGR-HOTGVXAUSA-N 2 2 363.458 0.616 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092166321 1205176683 /nfs/dbraw/zinc/17/66/83/1205176683.db2.gz WOULVYKPCLENHR-KSMMKXTCSA-N 2 2 368.441 0.535 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092166321 1205176684 /nfs/dbraw/zinc/17/66/84/1205176684.db2.gz WOULVYKPCLENHR-KSMMKXTCSA-N 2 2 368.441 0.535 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092165962 1205177306 /nfs/dbraw/zinc/17/73/06/1205177306.db2.gz LMOMKAMUERBZSF-KUHUBIRLSA-N 2 2 368.441 0.407 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092165962 1205177308 /nfs/dbraw/zinc/17/73/08/1205177308.db2.gz LMOMKAMUERBZSF-KUHUBIRLSA-N 2 2 368.441 0.407 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092200638 1205195830 /nfs/dbraw/zinc/19/58/30/1205195830.db2.gz MFOWNJCGPUNPLM-LPMFXHHGSA-N 2 2 361.490 0.944 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092200638 1205195833 /nfs/dbraw/zinc/19/58/33/1205195833.db2.gz MFOWNJCGPUNPLM-LPMFXHHGSA-N 2 2 361.490 0.944 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092200746 1205196562 /nfs/dbraw/zinc/19/65/62/1205196562.db2.gz OIQOMPXSAIRYCS-LPMFXHHGSA-N 2 2 359.474 0.698 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092200746 1205196564 /nfs/dbraw/zinc/19/65/64/1205196564.db2.gz OIQOMPXSAIRYCS-LPMFXHHGSA-N 2 2 359.474 0.698 20 0 FCADLP CCCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272962 1205220540 /nfs/dbraw/zinc/22/05/40/1205220540.db2.gz JVPBXNOTDNBTIB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272962 1205220546 /nfs/dbraw/zinc/22/05/46/1205220546.db2.gz JVPBXNOTDNBTIB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272962 1205220550 /nfs/dbraw/zinc/22/05/50/1205220550.db2.gz JVPBXNOTDNBTIB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272962 1205220553 /nfs/dbraw/zinc/22/05/53/1205220553.db2.gz JVPBXNOTDNBTIB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273927 1205220700 /nfs/dbraw/zinc/22/07/00/1205220700.db2.gz WYQZEKBXUGCIEF-CLCXKQKWSA-N 2 2 358.490 0.914 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273927 1205220708 /nfs/dbraw/zinc/22/07/08/1205220708.db2.gz WYQZEKBXUGCIEF-CLCXKQKWSA-N 2 2 358.490 0.914 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273927 1205220716 /nfs/dbraw/zinc/22/07/16/1205220716.db2.gz WYQZEKBXUGCIEF-CLCXKQKWSA-N 2 2 358.490 0.914 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)C[C@@]3(C)C2)C1 ZINC001092273927 1205220724 /nfs/dbraw/zinc/22/07/24/1205220724.db2.gz WYQZEKBXUGCIEF-CLCXKQKWSA-N 2 2 358.490 0.914 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@H+](Cc3ccon3)C[C@@]2(C)C1 ZINC001092276621 1205223079 /nfs/dbraw/zinc/22/30/79/1205223079.db2.gz WYDYSNLLPRSQPH-MDZRGWNJSA-N 2 2 362.474 0.923 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccon3)C[C@@]2(C)C1 ZINC001092276621 1205223085 /nfs/dbraw/zinc/22/30/85/1205223085.db2.gz WYDYSNLLPRSQPH-MDZRGWNJSA-N 2 2 362.474 0.923 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319569 1205247271 /nfs/dbraw/zinc/24/72/71/1205247271.db2.gz RNXWVBMYSAHCDD-GJYPPUQNSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001092319569 1205247272 /nfs/dbraw/zinc/24/72/72/1205247272.db2.gz RNXWVBMYSAHCDD-GJYPPUQNSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001092291726 1205255297 /nfs/dbraw/zinc/25/52/97/1205255297.db2.gz GWPCQRLBPHRHLL-IFXJQAMLSA-N 2 2 371.489 0.988 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001092291726 1205255301 /nfs/dbraw/zinc/25/53/01/1205255301.db2.gz GWPCQRLBPHRHLL-IFXJQAMLSA-N 2 2 371.489 0.988 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001092364717 1205274920 /nfs/dbraw/zinc/27/49/20/1205274920.db2.gz WYPFAMJSWMRRDJ-ZIAGYGMSSA-N 2 2 357.462 0.648 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504174 1205296662 /nfs/dbraw/zinc/29/66/62/1205296662.db2.gz IOZMYHZENIRFLU-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504174 1205296664 /nfs/dbraw/zinc/29/66/64/1205296664.db2.gz IOZMYHZENIRFLU-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504174 1205296666 /nfs/dbraw/zinc/29/66/66/1205296666.db2.gz IOZMYHZENIRFLU-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504174 1205296668 /nfs/dbraw/zinc/29/66/68/1205296668.db2.gz IOZMYHZENIRFLU-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)on1 ZINC001092504175 1205297279 /nfs/dbraw/zinc/29/72/79/1205297279.db2.gz IRZQYUBOEFTDRZ-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)on1 ZINC001092504175 1205297280 /nfs/dbraw/zinc/29/72/80/1205297280.db2.gz IRZQYUBOEFTDRZ-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](C)C2)on1 ZINC001092504175 1205297281 /nfs/dbraw/zinc/29/72/81/1205297281.db2.gz IRZQYUBOEFTDRZ-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@H](C)C2)on1 ZINC001092504175 1205297283 /nfs/dbraw/zinc/29/72/83/1205297283.db2.gz IRZQYUBOEFTDRZ-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676138 1205336561 /nfs/dbraw/zinc/33/65/61/1205336561.db2.gz ROTNWWQVDNLHSY-IIAWOOMASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676138 1205336565 /nfs/dbraw/zinc/33/65/65/1205336565.db2.gz ROTNWWQVDNLHSY-IIAWOOMASA-N 2 2 357.462 0.773 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](CCc3c[nH]c4ccccc34)CC2)C1 ZINC001220527426 1224907572 /nfs/dbraw/zinc/90/75/72/1224907572.db2.gz JBEJNTGZVVKUIE-KXBFYZLASA-N 3 2 355.486 0.980 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931105 1205961535 /nfs/dbraw/zinc/96/15/35/1205961535.db2.gz DXGROQUNYJYOAC-GDBMZVCRSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931105 1205961536 /nfs/dbraw/zinc/96/15/36/1205961536.db2.gz DXGROQUNYJYOAC-GDBMZVCRSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092982456 1205966385 /nfs/dbraw/zinc/96/63/85/1205966385.db2.gz STYVYZUUAWGORZ-YUELXQCFSA-N 2 2 357.462 0.929 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092982456 1205966388 /nfs/dbraw/zinc/96/63/88/1205966388.db2.gz STYVYZUUAWGORZ-YUELXQCFSA-N 2 2 357.462 0.929 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cn(C)nn3)C[C@H]1C)C2 ZINC001092965456 1205967452 /nfs/dbraw/zinc/96/74/52/1205967452.db2.gz GPIKDCCJLGQFMT-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3cn(C)nn3)C[C@H]1C)C2 ZINC001092965456 1205967455 /nfs/dbraw/zinc/96/74/55/1205967455.db2.gz GPIKDCCJLGQFMT-FVQBIDKESA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@@H]1O ZINC001220547854 1224921343 /nfs/dbraw/zinc/92/13/43/1224921343.db2.gz KNCUUJYJTMXHCH-XKQJLSEDSA-N 2 2 358.446 0.684 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@@H]1O ZINC001220547854 1224921347 /nfs/dbraw/zinc/92/13/47/1224921347.db2.gz KNCUUJYJTMXHCH-XKQJLSEDSA-N 2 2 358.446 0.684 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208696 1206056601 /nfs/dbraw/zinc/05/66/01/1206056601.db2.gz BGHAMULXVPADII-FMKPAKJESA-N 2 2 366.462 0.588 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208696 1206056603 /nfs/dbraw/zinc/05/66/03/1206056603.db2.gz BGHAMULXVPADII-FMKPAKJESA-N 2 2 366.462 0.588 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208696 1206056606 /nfs/dbraw/zinc/05/66/06/1206056606.db2.gz BGHAMULXVPADII-FMKPAKJESA-N 2 2 366.462 0.588 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cc(OC)no3)C[C@H]2C)C1 ZINC001093208696 1206056608 /nfs/dbraw/zinc/05/66/08/1206056608.db2.gz BGHAMULXVPADII-FMKPAKJESA-N 2 2 366.462 0.588 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209147 1206057233 /nfs/dbraw/zinc/05/72/33/1206057233.db2.gz UUWZEBQBMGVNDD-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209147 1206057235 /nfs/dbraw/zinc/05/72/35/1206057235.db2.gz UUWZEBQBMGVNDD-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209147 1206057237 /nfs/dbraw/zinc/05/72/37/1206057237.db2.gz UUWZEBQBMGVNDD-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)n1 ZINC001093209147 1206057240 /nfs/dbraw/zinc/05/72/40/1206057240.db2.gz UUWZEBQBMGVNDD-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093274682 1206069234 /nfs/dbraw/zinc/06/92/34/1206069234.db2.gz RVALIMUWSPDSCS-MGPQQGTHSA-N 2 2 361.446 0.222 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC[NH2+][C@@H]1CCN(C)C1=O ZINC001093289416 1206073675 /nfs/dbraw/zinc/07/36/75/1206073675.db2.gz QVVIUVLXZIPKND-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH+]cn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093476501 1206087368 /nfs/dbraw/zinc/08/73/68/1206087368.db2.gz BWXLBNICODBJNZ-RWQQGDIJSA-N 2 2 364.490 0.311 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691398 1206101368 /nfs/dbraw/zinc/10/13/68/1206101368.db2.gz TXGIXVMNQZVVTN-RBSFLKMASA-N 2 2 365.478 0.708 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691398 1206101371 /nfs/dbraw/zinc/10/13/71/1206101371.db2.gz TXGIXVMNQZVVTN-RBSFLKMASA-N 2 2 365.478 0.708 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093784795 1206115740 /nfs/dbraw/zinc/11/57/40/1206115740.db2.gz LHYRVNWYPCNMFF-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001093861246 1206136353 /nfs/dbraw/zinc/13/63/53/1206136353.db2.gz LSYVTJVBGDUOPU-KYOSRNDESA-N 2 2 369.425 0.666 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093871804 1206138375 /nfs/dbraw/zinc/13/83/75/1206138375.db2.gz WGOYGSSIIFVSAC-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093871805 1206138656 /nfs/dbraw/zinc/13/86/56/1206138656.db2.gz WGOYGSSIIFVSAC-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093873576 1206139228 /nfs/dbraw/zinc/13/92/28/1206139228.db2.gz PQSZSWQQNNRHHL-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C2)c[nH+]1 ZINC001093856893 1206146097 /nfs/dbraw/zinc/14/60/97/1206146097.db2.gz JZNASSSKVPVWAZ-UKRRQHHQSA-N 2 2 359.478 0.939 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+][C@@H]3CCCNC3=O)[C@H](C)C2)c[nH+]1 ZINC001093856896 1206146206 /nfs/dbraw/zinc/14/62/06/1206146206.db2.gz KHIHTQCPBDYULQ-FVQBIDKESA-N 2 2 361.490 0.889 20 0 FCADLP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001093950462 1206157325 /nfs/dbraw/zinc/15/73/25/1206157325.db2.gz WGRBZTDLBZFTAU-HUUCEWRRSA-N 2 2 360.466 0.725 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)nn1 ZINC001093934287 1206161788 /nfs/dbraw/zinc/16/17/88/1206161788.db2.gz JXFCCEALHZTAMA-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)c1nncn1C ZINC001093934592 1206161872 /nfs/dbraw/zinc/16/18/72/1206161872.db2.gz ZDYACLDQZIFUEC-RBSFLKMASA-N 2 2 359.478 0.927 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094132627 1206190487 /nfs/dbraw/zinc/19/04/87/1206190487.db2.gz NYSQVMSVCYUHDJ-FRRDWIJNSA-N 2 2 358.450 0.719 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001094166660 1206198411 /nfs/dbraw/zinc/19/84/11/1206198411.db2.gz JQKUIWDXNSNGAU-KFWWJZLASA-N 2 2 357.462 0.426 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)no1 ZINC001094232224 1206208487 /nfs/dbraw/zinc/20/84/87/1206208487.db2.gz PUWPRNVVCHNSAB-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)no1 ZINC001094232224 1206208491 /nfs/dbraw/zinc/20/84/91/1206208491.db2.gz PUWPRNVVCHNSAB-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094244529 1206210279 /nfs/dbraw/zinc/21/02/79/1206210279.db2.gz XPNHAEDIFBKVCT-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094254692 1206212296 /nfs/dbraw/zinc/21/22/96/1206212296.db2.gz BWDZRHDYQAGOFE-HZSPNIEDSA-N 2 2 358.450 0.650 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001094254895 1206212739 /nfs/dbraw/zinc/21/27/39/1206212739.db2.gz UXQUICVZJGMWKF-BZUAXINKSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001094254896 1206212827 /nfs/dbraw/zinc/21/28/27/1206212827.db2.gz UXQUICVZJGMWKF-OAGGEKHMSA-N 2 2 361.490 0.967 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568553 1224936479 /nfs/dbraw/zinc/93/64/79/1224936479.db2.gz RTCQWJFHHLKJAX-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568553 1224936488 /nfs/dbraw/zinc/93/64/88/1224936488.db2.gz RTCQWJFHHLKJAX-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568553 1224936493 /nfs/dbraw/zinc/93/64/93/1224936493.db2.gz RTCQWJFHHLKJAX-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001220568553 1224936499 /nfs/dbraw/zinc/93/64/99/1224936499.db2.gz RTCQWJFHHLKJAX-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453461 1206229033 /nfs/dbraw/zinc/22/90/33/1206229033.db2.gz UZFLDVYLOMQROX-QMTMVMCOSA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094453461 1206229034 /nfs/dbraw/zinc/22/90/34/1206229034.db2.gz UZFLDVYLOMQROX-QMTMVMCOSA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094453100 1206229039 /nfs/dbraw/zinc/22/90/39/1206229039.db2.gz MSNGYYMCQIDDDD-ZSZQSSIHSA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094453100 1206229040 /nfs/dbraw/zinc/22/90/40/1206229040.db2.gz MSNGYYMCQIDDDD-ZSZQSSIHSA-N 2 2 359.474 0.552 20 0 FCADLP CC(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783114 1206246926 /nfs/dbraw/zinc/24/69/26/1206246926.db2.gz LZLWMTZVSVQANL-NUEKZKHPSA-N 2 2 359.474 0.581 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O)C(C)C ZINC001220573084 1224941585 /nfs/dbraw/zinc/94/15/85/1224941585.db2.gz PJBMIZKDRLBNAO-FGTMMUONSA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O)C(C)C ZINC001220573084 1224941593 /nfs/dbraw/zinc/94/15/93/1224941593.db2.gz PJBMIZKDRLBNAO-FGTMMUONSA-N 2 2 363.506 0.813 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)c3cc4n(n3)CCC[N@H+](C)C4)cn2)CC1 ZINC001175036209 1206298861 /nfs/dbraw/zinc/29/88/61/1206298861.db2.gz QLMKSSZQJXBDLX-UHFFFAOYSA-N 2 2 370.461 0.513 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)c3cc4n(n3)CCC[N@@H+](C)C4)cn2)CC1 ZINC001175036209 1206298862 /nfs/dbraw/zinc/29/88/62/1206298862.db2.gz QLMKSSZQJXBDLX-UHFFFAOYSA-N 2 2 370.461 0.513 20 0 FCADLP Cc1ccc(N(C(=O)Cc2c[nH]c[nH+]2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001176828586 1206321141 /nfs/dbraw/zinc/32/11/41/1206321141.db2.gz BOMXLVASKIMWNA-CRAIPNDOSA-N 2 2 356.430 0.995 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085195 1206329435 /nfs/dbraw/zinc/32/94/35/1206329435.db2.gz VBHINRYLXDZYNL-GUTXKFCHSA-N 2 2 363.462 0.866 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085195 1206329439 /nfs/dbraw/zinc/32/94/39/1206329439.db2.gz VBHINRYLXDZYNL-GUTXKFCHSA-N 2 2 363.462 0.866 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085195 1206329442 /nfs/dbraw/zinc/32/94/42/1206329442.db2.gz VBHINRYLXDZYNL-GUTXKFCHSA-N 2 2 363.462 0.866 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085195 1206329445 /nfs/dbraw/zinc/32/94/45/1206329445.db2.gz VBHINRYLXDZYNL-GUTXKFCHSA-N 2 2 363.462 0.866 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]CC(=O)NCc3ccccc3)cn2)CC1 ZINC001177244670 1206333619 /nfs/dbraw/zinc/33/36/19/1206333619.db2.gz FLCJDJDZWLQGLE-UHFFFAOYSA-N 2 2 354.458 0.634 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CN(C)c1cccc[nH+]1)CC2 ZINC001177409294 1206338864 /nfs/dbraw/zinc/33/88/64/1206338864.db2.gz KFUFULTXTMDDST-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CN(C)c1cccc[nH+]1)CC2 ZINC001177409294 1206338867 /nfs/dbraw/zinc/33/88/67/1206338867.db2.gz KFUFULTXTMDDST-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220582728 1224946797 /nfs/dbraw/zinc/94/67/97/1224946797.db2.gz AZVLRLKMDPPPSE-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220582728 1224946805 /nfs/dbraw/zinc/94/68/05/1224946805.db2.gz AZVLRLKMDPPPSE-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccc[nH]3)CC2)C1=O ZINC001177868281 1206347811 /nfs/dbraw/zinc/34/78/11/1206347811.db2.gz KJVOEDZEZVXOHM-UHFFFAOYSA-N 2 2 361.490 0.254 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccc[nH]3)CC2)C1=O ZINC001177868281 1206347812 /nfs/dbraw/zinc/34/78/12/1206347812.db2.gz KJVOEDZEZVXOHM-UHFFFAOYSA-N 2 2 361.490 0.254 20 0 FCADLP C[C@H](C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)n1cc[nH+]c1 ZINC001177922932 1206350361 /nfs/dbraw/zinc/35/03/61/1206350361.db2.gz RVACRAUOOYSUKE-OAHLLOKOSA-N 2 2 357.462 0.430 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220584865 1224949768 /nfs/dbraw/zinc/94/97/68/1224949768.db2.gz MXAWJIDRRXVUMJ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178997860 1206369981 /nfs/dbraw/zinc/36/99/81/1206369981.db2.gz UUCMDCPMEIYJHA-KRWDZBQOSA-N 3 2 361.490 0.951 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178997860 1206369983 /nfs/dbraw/zinc/36/99/83/1206369983.db2.gz UUCMDCPMEIYJHA-KRWDZBQOSA-N 3 2 361.490 0.951 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179557634 1206382764 /nfs/dbraw/zinc/38/27/64/1206382764.db2.gz KTWGKMYQXREIBM-XZDPQHSOSA-N 2 2 359.474 0.723 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001180387421 1206394174 /nfs/dbraw/zinc/39/41/74/1206394174.db2.gz HKYGBRGYCWCEMK-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001180387421 1206394175 /nfs/dbraw/zinc/39/41/75/1206394175.db2.gz HKYGBRGYCWCEMK-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581777 1206396218 /nfs/dbraw/zinc/39/62/18/1206396218.db2.gz ZSVDMPVVPWWUSN-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581777 1206396219 /nfs/dbraw/zinc/39/62/19/1206396219.db2.gz ZSVDMPVVPWWUSN-LPHOPBHVSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001180759803 1206398710 /nfs/dbraw/zinc/39/87/10/1206398710.db2.gz RISOADRIONXJEB-XUWXXGDYSA-N 2 2 364.421 0.405 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001180759803 1206398712 /nfs/dbraw/zinc/39/87/12/1206398712.db2.gz RISOADRIONXJEB-XUWXXGDYSA-N 2 2 364.421 0.405 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220584865 1224949784 /nfs/dbraw/zinc/94/97/84/1224949784.db2.gz MXAWJIDRRXVUMJ-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)Cc1cc[nH+]c(N)c1)CC2 ZINC001181249400 1206406475 /nfs/dbraw/zinc/40/64/75/1206406475.db2.gz XSAAIJFGLMHEAQ-UHFFFAOYSA-N 2 2 372.429 0.071 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001182011922 1206419636 /nfs/dbraw/zinc/41/96/36/1206419636.db2.gz GUMOHYDZKJCGSB-OAHLLOKOSA-N 2 2 355.446 0.597 20 0 FCADLP CCCC[N@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccccc1 ZINC001182236353 1206424632 /nfs/dbraw/zinc/42/46/32/1206424632.db2.gz LOOMKUATFPMUQH-XLAORIBOSA-N 2 2 360.506 0.369 20 0 FCADLP CCCC[N@@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccccc1 ZINC001182236353 1206424633 /nfs/dbraw/zinc/42/46/33/1206424633.db2.gz LOOMKUATFPMUQH-XLAORIBOSA-N 2 2 360.506 0.369 20 0 FCADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[NH+]2CC[C@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039440 1206490485 /nfs/dbraw/zinc/49/04/85/1206490485.db2.gz XZBLYSPWMAKDGE-XFKSJGNHSA-N 2 2 374.485 0.338 20 0 FCADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[NH+]2CC[C@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039440 1206490488 /nfs/dbraw/zinc/49/04/88/1206490488.db2.gz XZBLYSPWMAKDGE-XFKSJGNHSA-N 2 2 374.485 0.338 20 0 FCADLP C[NH+](Cc1cccnc1)[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039440 1206490490 /nfs/dbraw/zinc/49/04/90/1206490490.db2.gz XZBLYSPWMAKDGE-XFKSJGNHSA-N 2 2 374.485 0.338 20 0 FCADLP C[NH+](Cc1cccnc1)[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039440 1206490491 /nfs/dbraw/zinc/49/04/91/1206490491.db2.gz XZBLYSPWMAKDGE-XFKSJGNHSA-N 2 2 374.485 0.338 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220651266 1224990847 /nfs/dbraw/zinc/99/08/47/1224990847.db2.gz IJEPYFJHXZGDRZ-OALUTQOASA-N 3 2 371.529 0.786 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220651266 1224990859 /nfs/dbraw/zinc/99/08/59/1224990859.db2.gz IJEPYFJHXZGDRZ-OALUTQOASA-N 3 2 371.529 0.786 20 0 FCADLP Cc1ccncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001188233670 1207437649 /nfs/dbraw/zinc/43/76/49/1207437649.db2.gz RKGSRXGHEXKHRI-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1ccncc1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001188233670 1207437652 /nfs/dbraw/zinc/43/76/52/1207437652.db2.gz RKGSRXGHEXKHRI-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)O1 ZINC001188322755 1207443971 /nfs/dbraw/zinc/44/39/71/1207443971.db2.gz MKZDIYGLQMWCNO-QKPAOTATSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)O1 ZINC001188322755 1207443975 /nfs/dbraw/zinc/44/39/75/1207443975.db2.gz MKZDIYGLQMWCNO-QKPAOTATSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)O1 ZINC001188322755 1207443977 /nfs/dbraw/zinc/44/39/77/1207443977.db2.gz MKZDIYGLQMWCNO-QKPAOTATSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)O1 ZINC001188322755 1207443982 /nfs/dbraw/zinc/44/39/82/1207443982.db2.gz MKZDIYGLQMWCNO-QKPAOTATSA-N 2 2 366.506 0.153 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001188561470 1207463102 /nfs/dbraw/zinc/46/31/02/1207463102.db2.gz HPYAQEVRUHNUAA-IXDOHACOSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001188561470 1207463103 /nfs/dbraw/zinc/46/31/03/1207463103.db2.gz HPYAQEVRUHNUAA-IXDOHACOSA-N 2 2 361.490 0.885 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188932560 1207488869 /nfs/dbraw/zinc/48/88/69/1207488869.db2.gz ZRPKOOMMVXCWPB-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188932560 1207488876 /nfs/dbraw/zinc/48/88/76/1207488876.db2.gz ZRPKOOMMVXCWPB-GVDBMIGSSA-N 2 2 366.506 0.107 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001189012511 1207495140 /nfs/dbraw/zinc/49/51/40/1207495140.db2.gz NBULZHRKAYIWDX-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001189012511 1207495144 /nfs/dbraw/zinc/49/51/44/1207495144.db2.gz NBULZHRKAYIWDX-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001189012511 1207495148 /nfs/dbraw/zinc/49/51/48/1207495148.db2.gz NBULZHRKAYIWDX-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001189012511 1207495152 /nfs/dbraw/zinc/49/51/52/1207495152.db2.gz NBULZHRKAYIWDX-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126678 1207508893 /nfs/dbraw/zinc/50/88/93/1207508893.db2.gz JZMKXGJXNLLFPY-QMTMVMCOSA-N 2 2 368.497 0.868 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126678 1207508896 /nfs/dbraw/zinc/50/88/96/1207508896.db2.gz JZMKXGJXNLLFPY-QMTMVMCOSA-N 2 2 368.497 0.868 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126678 1207508901 /nfs/dbraw/zinc/50/89/01/1207508901.db2.gz JZMKXGJXNLLFPY-QMTMVMCOSA-N 2 2 368.497 0.868 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126678 1207508909 /nfs/dbraw/zinc/50/89/09/1207508909.db2.gz JZMKXGJXNLLFPY-QMTMVMCOSA-N 2 2 368.497 0.868 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126431 1207509996 /nfs/dbraw/zinc/50/99/96/1207509996.db2.gz IAXUCZIOTVLRGK-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126431 1207510000 /nfs/dbraw/zinc/51/00/00/1207510000.db2.gz IAXUCZIOTVLRGK-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126431 1207510006 /nfs/dbraw/zinc/51/00/06/1207510006.db2.gz IAXUCZIOTVLRGK-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126431 1207510011 /nfs/dbraw/zinc/51/00/11/1207510011.db2.gz IAXUCZIOTVLRGK-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189484473 1207564531 /nfs/dbraw/zinc/56/45/31/1207564531.db2.gz IKQRZBBHLGHDCG-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001189484473 1207564535 /nfs/dbraw/zinc/56/45/35/1207564535.db2.gz IKQRZBBHLGHDCG-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189999753 1207635100 /nfs/dbraw/zinc/63/51/00/1207635100.db2.gz YDUNSEXSPNGCLO-DOTOQJQBSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001189999753 1207635105 /nfs/dbraw/zinc/63/51/05/1207635105.db2.gz YDUNSEXSPNGCLO-DOTOQJQBSA-N 2 2 359.474 0.412 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001190247826 1207667576 /nfs/dbraw/zinc/66/75/76/1207667576.db2.gz SXIKMAMKMFUOQS-SOUVJXGZSA-N 2 2 363.462 0.876 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001190247826 1207667581 /nfs/dbraw/zinc/66/75/81/1207667581.db2.gz SXIKMAMKMFUOQS-SOUVJXGZSA-N 2 2 363.462 0.876 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001190247826 1207667585 /nfs/dbraw/zinc/66/75/85/1207667585.db2.gz SXIKMAMKMFUOQS-SOUVJXGZSA-N 2 2 363.462 0.876 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001190247826 1207667590 /nfs/dbraw/zinc/66/75/90/1207667590.db2.gz SXIKMAMKMFUOQS-SOUVJXGZSA-N 2 2 363.462 0.876 20 0 FCADLP O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220688015 1225015226 /nfs/dbraw/zinc/01/52/26/1225015226.db2.gz WVFXTDWLRJTURB-VSZNYVQBSA-N 2 2 356.470 0.491 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900006 1207731645 /nfs/dbraw/zinc/73/16/45/1207731645.db2.gz MUOXOVPNNKCGFJ-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900006 1207731660 /nfs/dbraw/zinc/73/16/60/1207731660.db2.gz MUOXOVPNNKCGFJ-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900006 1207731669 /nfs/dbraw/zinc/73/16/69/1207731669.db2.gz MUOXOVPNNKCGFJ-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)C)C2)O1 ZINC001190900006 1207731674 /nfs/dbraw/zinc/73/16/74/1207731674.db2.gz MUOXOVPNNKCGFJ-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802443 1207809542 /nfs/dbraw/zinc/80/95/42/1207809542.db2.gz RLSVFGJDSNILBF-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802443 1207809544 /nfs/dbraw/zinc/80/95/44/1207809544.db2.gz RLSVFGJDSNILBF-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001191802443 1207809546 /nfs/dbraw/zinc/80/95/46/1207809546.db2.gz RLSVFGJDSNILBF-KZNAEPCWSA-N 2 2 365.449 0.850 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001192580701 1207838557 /nfs/dbraw/zinc/83/85/57/1207838557.db2.gz KPYGIBBFKZUIHU-OWCLPIDISA-N 2 2 362.405 0.376 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001192580701 1207838559 /nfs/dbraw/zinc/83/85/59/1207838559.db2.gz KPYGIBBFKZUIHU-OWCLPIDISA-N 2 2 362.405 0.376 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001192632970 1207841195 /nfs/dbraw/zinc/84/11/95/1207841195.db2.gz OTKRUKAJXHJOKG-GVDBMIGSSA-N 2 2 358.442 0.107 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001192632970 1207841197 /nfs/dbraw/zinc/84/11/97/1207841197.db2.gz OTKRUKAJXHJOKG-GVDBMIGSSA-N 2 2 358.442 0.107 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O ZINC001192639584 1207841212 /nfs/dbraw/zinc/84/12/12/1207841212.db2.gz DQHQNRIXIQJIGA-IAGOWNOFSA-N 2 2 358.442 0.720 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001192639584 1207841213 /nfs/dbraw/zinc/84/12/13/1207841213.db2.gz DQHQNRIXIQJIGA-IAGOWNOFSA-N 2 2 358.442 0.720 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774666 1207888238 /nfs/dbraw/zinc/88/82/38/1207888238.db2.gz TVFPAXYRIZDXJT-IAGOWNOFSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774666 1207888240 /nfs/dbraw/zinc/88/82/40/1207888240.db2.gz TVFPAXYRIZDXJT-IAGOWNOFSA-N 2 2 363.506 0.918 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001193746397 1207889806 /nfs/dbraw/zinc/88/98/06/1207889806.db2.gz OUZLTBOWYYFJSV-HZPDHXFCSA-N 2 2 362.474 0.626 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001193746397 1207889807 /nfs/dbraw/zinc/88/98/07/1207889807.db2.gz OUZLTBOWYYFJSV-HZPDHXFCSA-N 2 2 362.474 0.626 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805912 1207891856 /nfs/dbraw/zinc/89/18/56/1207891856.db2.gz UKKURUXGFBLQKQ-FGTMMUONSA-N 2 2 365.449 0.505 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805912 1207891857 /nfs/dbraw/zinc/89/18/57/1207891857.db2.gz UKKURUXGFBLQKQ-FGTMMUONSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805912 1207891858 /nfs/dbraw/zinc/89/18/58/1207891858.db2.gz UKKURUXGFBLQKQ-FGTMMUONSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805912 1207891860 /nfs/dbraw/zinc/89/18/60/1207891860.db2.gz UKKURUXGFBLQKQ-FGTMMUONSA-N 2 2 365.449 0.505 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001194095704 1207917819 /nfs/dbraw/zinc/91/78/19/1207917819.db2.gz MJMGEPCJYZQCBP-BRWVUGGUSA-N 2 2 370.538 0.381 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)o1 ZINC001194290371 1207935074 /nfs/dbraw/zinc/93/50/74/1207935074.db2.gz UCYZCRWSTMVTKE-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)o1 ZINC001194290371 1207935078 /nfs/dbraw/zinc/93/50/78/1207935078.db2.gz UCYZCRWSTMVTKE-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001195148735 1207999373 /nfs/dbraw/zinc/99/93/73/1207999373.db2.gz AKBVASZRWTVWPF-RTBURBONSA-N 2 2 370.453 0.707 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001195148735 1207999377 /nfs/dbraw/zinc/99/93/77/1207999377.db2.gz AKBVASZRWTVWPF-RTBURBONSA-N 2 2 370.453 0.707 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677830 1208033321 /nfs/dbraw/zinc/03/33/21/1208033321.db2.gz UXDAUHVYUOXBOB-NUEKZKHPSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677830 1208033322 /nfs/dbraw/zinc/03/33/22/1208033322.db2.gz UXDAUHVYUOXBOB-NUEKZKHPSA-N 2 2 368.522 0.183 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195850092 1208041460 /nfs/dbraw/zinc/04/14/60/1208041460.db2.gz FPTUEVGNVPMQCH-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195850092 1208041464 /nfs/dbraw/zinc/04/14/64/1208041464.db2.gz FPTUEVGNVPMQCH-IAGOWNOFSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@H]1O ZINC001195859994 1208041769 /nfs/dbraw/zinc/04/17/69/1208041769.db2.gz QTXYPGNWUHRIKR-BRWVUGGUSA-N 2 2 360.458 0.053 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@H]1O ZINC001195859994 1208041772 /nfs/dbraw/zinc/04/17/72/1208041772.db2.gz QTXYPGNWUHRIKR-BRWVUGGUSA-N 2 2 360.458 0.053 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195972654 1208048576 /nfs/dbraw/zinc/04/85/76/1208048576.db2.gz IISRDEFMUMIIPS-JFIYKMOQSA-N 2 2 370.538 0.383 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196129866 1208056877 /nfs/dbraw/zinc/05/68/77/1208056877.db2.gz JMHMXIACKIUADK-IXDOHACOSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196129866 1208056879 /nfs/dbraw/zinc/05/68/79/1208056879.db2.gz JMHMXIACKIUADK-IXDOHACOSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O)[NH+](CC)CC ZINC001196115506 1208058907 /nfs/dbraw/zinc/05/89/07/1208058907.db2.gz PFFOOKQXDIGROG-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O)[NH+](CC)CC ZINC001196115506 1208058911 /nfs/dbraw/zinc/05/89/11/1208058911.db2.gz PFFOOKQXDIGROG-IXDOHACOSA-N 2 2 368.522 0.281 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196207571 1208066243 /nfs/dbraw/zinc/06/62/43/1208066243.db2.gz QJTKEYOSZROSQB-DJIMGWMZSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)cn1 ZINC001196207571 1208066245 /nfs/dbraw/zinc/06/62/45/1208066245.db2.gz QJTKEYOSZROSQB-DJIMGWMZSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@@H](C)[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)cn1 ZINC001196207571 1208066250 /nfs/dbraw/zinc/06/62/50/1208066250.db2.gz QJTKEYOSZROSQB-DJIMGWMZSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1cnc([C@@H](C)[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)cn1 ZINC001196207571 1208066252 /nfs/dbraw/zinc/06/62/52/1208066252.db2.gz QJTKEYOSZROSQB-DJIMGWMZSA-N 2 2 363.506 0.985 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306769 1208071202 /nfs/dbraw/zinc/07/12/02/1208071202.db2.gz IXLVPFJROMWANL-KBRIMQKVSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306769 1208071204 /nfs/dbraw/zinc/07/12/04/1208071204.db2.gz IXLVPFJROMWANL-KBRIMQKVSA-N 2 2 366.462 0.145 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)n1cc[nH+]c1 ZINC001196501416 1208090130 /nfs/dbraw/zinc/09/01/30/1208090130.db2.gz YYIGGDQUKMYGPJ-ARFHVFGLSA-N 2 2 363.462 0.008 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)n1cc[nH+]c1 ZINC001196501416 1208090131 /nfs/dbraw/zinc/09/01/31/1208090131.db2.gz YYIGGDQUKMYGPJ-ARFHVFGLSA-N 2 2 363.462 0.008 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645333 1208097013 /nfs/dbraw/zinc/09/70/13/1208097013.db2.gz OYGCQIKPQOBNEH-DJIMGWMZSA-N 2 2 368.522 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645333 1208097018 /nfs/dbraw/zinc/09/70/18/1208097018.db2.gz OYGCQIKPQOBNEH-DJIMGWMZSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636460 1208097719 /nfs/dbraw/zinc/09/77/19/1208097719.db2.gz ARDPSGMKZBHLIA-DJIMGWMZSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636460 1208097722 /nfs/dbraw/zinc/09/77/22/1208097722.db2.gz ARDPSGMKZBHLIA-DJIMGWMZSA-N 2 2 368.522 0.135 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826824 1208111458 /nfs/dbraw/zinc/11/14/58/1208111458.db2.gz JVTPNNHHABSJMO-ZTFGCOKTSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826824 1208111461 /nfs/dbraw/zinc/11/14/61/1208111461.db2.gz JVTPNNHHABSJMO-ZTFGCOKTSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826824 1208111463 /nfs/dbraw/zinc/11/14/63/1208111463.db2.gz JVTPNNHHABSJMO-ZTFGCOKTSA-N 2 2 364.490 0.956 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1O ZINC001196939039 1208123207 /nfs/dbraw/zinc/12/32/07/1208123207.db2.gz CPOQUCJRNHWPNU-QZTJIDSGSA-N 2 2 365.449 0.540 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1O ZINC001196939039 1208123212 /nfs/dbraw/zinc/12/32/12/1208123212.db2.gz CPOQUCJRNHWPNU-QZTJIDSGSA-N 2 2 365.449 0.540 20 0 FCADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954206 1208125563 /nfs/dbraw/zinc/12/55/63/1208125563.db2.gz SJPOZLVJPLSYLP-ZTFGCOKTSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954206 1208125568 /nfs/dbraw/zinc/12/55/68/1208125568.db2.gz SJPOZLVJPLSYLP-ZTFGCOKTSA-N 2 2 365.449 0.770 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197049290 1208130941 /nfs/dbraw/zinc/13/09/41/1208130941.db2.gz LONYZTIQRYDPBX-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197049290 1208130944 /nfs/dbraw/zinc/13/09/44/1208130944.db2.gz LONYZTIQRYDPBX-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493500 1208172014 /nfs/dbraw/zinc/17/20/14/1208172014.db2.gz PVQFIKCKUOPOTC-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493500 1208172017 /nfs/dbraw/zinc/17/20/17/1208172017.db2.gz PVQFIKCKUOPOTC-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493500 1208172022 /nfs/dbraw/zinc/17/20/22/1208172022.db2.gz PVQFIKCKUOPOTC-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001197493500 1208172026 /nfs/dbraw/zinc/17/20/26/1208172026.db2.gz PVQFIKCKUOPOTC-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC001198017544 1208211342 /nfs/dbraw/zinc/21/13/42/1208211342.db2.gz ABJGXFIMPOXLEG-KRWDZBQOSA-N 2 2 362.474 0.396 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC001198017544 1208211346 /nfs/dbraw/zinc/21/13/46/1208211346.db2.gz ABJGXFIMPOXLEG-KRWDZBQOSA-N 2 2 362.474 0.396 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001198017799 1208211614 /nfs/dbraw/zinc/21/16/14/1208211614.db2.gz MBBJFVSKMUAPPF-RTBURBONSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001198017799 1208211617 /nfs/dbraw/zinc/21/16/17/1208211617.db2.gz MBBJFVSKMUAPPF-RTBURBONSA-N 2 2 363.502 0.885 20 0 FCADLP COC(=O)[C@@H](NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1)[C@@H](C)O ZINC001198031620 1208215437 /nfs/dbraw/zinc/21/54/37/1208215437.db2.gz XIRVTBXWMFPYII-PBHICJAKSA-N 2 2 365.474 0.722 20 0 FCADLP COC(=O)[C@@H](NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1)[C@@H](C)O ZINC001198031620 1208215439 /nfs/dbraw/zinc/21/54/39/1208215439.db2.gz XIRVTBXWMFPYII-PBHICJAKSA-N 2 2 365.474 0.722 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037942 1208216336 /nfs/dbraw/zinc/21/63/36/1208216336.db2.gz CGXZDHFIXWOVRD-USXIJHARSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037942 1208216341 /nfs/dbraw/zinc/21/63/41/1208216341.db2.gz CGXZDHFIXWOVRD-USXIJHARSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037942 1208216344 /nfs/dbraw/zinc/21/63/44/1208216344.db2.gz CGXZDHFIXWOVRD-USXIJHARSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037942 1208216346 /nfs/dbraw/zinc/21/63/46/1208216346.db2.gz CGXZDHFIXWOVRD-USXIJHARSA-N 2 2 370.538 0.573 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057654 1208314773 /nfs/dbraw/zinc/31/47/73/1208314773.db2.gz PADFEVSHAJNRSO-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1)C1CC1 ZINC001199057654 1208314775 /nfs/dbraw/zinc/31/47/75/1208314775.db2.gz PADFEVSHAJNRSO-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064498 1208315499 /nfs/dbraw/zinc/31/54/99/1208315499.db2.gz KTRKAXPGTBLWGY-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064498 1208315502 /nfs/dbraw/zinc/31/55/02/1208315502.db2.gz KTRKAXPGTBLWGY-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071440 1208316326 /nfs/dbraw/zinc/31/63/26/1208316326.db2.gz WDTZUQUTKCWFHF-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071440 1208316330 /nfs/dbraw/zinc/31/63/30/1208316330.db2.gz WDTZUQUTKCWFHF-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199103892 1208318466 /nfs/dbraw/zinc/31/84/66/1208318466.db2.gz DNWLXCFISDVVIL-BRWVUGGUSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199103892 1208318469 /nfs/dbraw/zinc/31/84/69/1208318469.db2.gz DNWLXCFISDVVIL-BRWVUGGUSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1)C(C)C ZINC001199103892 1208318472 /nfs/dbraw/zinc/31/84/72/1208318472.db2.gz DNWLXCFISDVVIL-BRWVUGGUSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199346388 1208338257 /nfs/dbraw/zinc/33/82/57/1208338257.db2.gz SGFZPYQPXUHYEK-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199346388 1208338261 /nfs/dbraw/zinc/33/82/61/1208338261.db2.gz SGFZPYQPXUHYEK-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CCOC(=O)CC1(NC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)COC1 ZINC001199359693 1208342397 /nfs/dbraw/zinc/34/23/97/1208342397.db2.gz HBUPXOJYEVXFNK-UHFFFAOYSA-N 2 2 362.430 0.285 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001691707764 1208437897 /nfs/dbraw/zinc/43/78/97/1208437897.db2.gz XOSFZRCLSYOJSU-RRQGHBQHSA-N 2 2 360.462 0.552 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691707764 1208437900 /nfs/dbraw/zinc/43/79/00/1208437900.db2.gz XOSFZRCLSYOJSU-RRQGHBQHSA-N 2 2 360.462 0.552 20 0 FCADLP CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201737002 1208463922 /nfs/dbraw/zinc/46/39/22/1208463922.db2.gz OTOJSEJHTQTEAI-MSOLQXFVSA-N 2 2 369.506 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001488588291 1208540851 /nfs/dbraw/zinc/54/08/51/1208540851.db2.gz CLPRRYQTWJVXBF-PRLABOORSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001488588291 1208540858 /nfs/dbraw/zinc/54/08/58/1208540858.db2.gz CLPRRYQTWJVXBF-PRLABOORSA-N 2 2 361.490 0.799 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]Cc2cnon2)cn1 ZINC001488980678 1208595419 /nfs/dbraw/zinc/59/54/19/1208595419.db2.gz HQWMZCNSVGWXGB-JKSUJKDBSA-N 2 2 361.450 0.229 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825733 1225091069 /nfs/dbraw/zinc/09/10/69/1225091069.db2.gz DKXFCLFKNFJWLK-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825733 1225091075 /nfs/dbraw/zinc/09/10/75/1225091075.db2.gz DKXFCLFKNFJWLK-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825733 1225091080 /nfs/dbraw/zinc/09/10/80/1225091080.db2.gz DKXFCLFKNFJWLK-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825733 1225091087 /nfs/dbraw/zinc/09/10/87/1225091087.db2.gz DKXFCLFKNFJWLK-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826083 1225091402 /nfs/dbraw/zinc/09/14/02/1225091402.db2.gz LRGJOGULLPOOCH-PMPSAXMXSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826083 1225091409 /nfs/dbraw/zinc/09/14/09/1225091409.db2.gz LRGJOGULLPOOCH-PMPSAXMXSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826083 1225091412 /nfs/dbraw/zinc/09/14/12/1225091412.db2.gz LRGJOGULLPOOCH-PMPSAXMXSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220826083 1225091416 /nfs/dbraw/zinc/09/14/16/1225091416.db2.gz LRGJOGULLPOOCH-PMPSAXMXSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001110617833 1209437757 /nfs/dbraw/zinc/43/77/57/1209437757.db2.gz JGCOPMAPEOZJNF-VQHPVUNQSA-N 2 2 368.497 0.914 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001110617833 1209437762 /nfs/dbraw/zinc/43/77/62/1209437762.db2.gz JGCOPMAPEOZJNF-VQHPVUNQSA-N 2 2 368.497 0.914 20 0 FCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)c1 ZINC001220913166 1225136959 /nfs/dbraw/zinc/13/69/59/1225136959.db2.gz KGNOYMOSHDROQA-WBVHZDCISA-N 3 2 360.458 0.243 20 0 FCADLP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC2)c1 ZINC001220913166 1225136963 /nfs/dbraw/zinc/13/69/63/1225136963.db2.gz KGNOYMOSHDROQA-WBVHZDCISA-N 2 2 360.458 0.243 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC001220924576 1225143138 /nfs/dbraw/zinc/14/31/38/1225143138.db2.gz YAJQGOVANDGJRU-IAGOWNOFSA-N 2 2 353.426 0.685 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438461 1209549685 /nfs/dbraw/zinc/54/96/85/1209549685.db2.gz QWSHTSKCZPLNES-SJORKVTESA-N 2 2 360.458 0.932 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438461 1209549692 /nfs/dbraw/zinc/54/96/92/1209549692.db2.gz QWSHTSKCZPLNES-SJORKVTESA-N 2 2 360.458 0.932 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110672368 1209603584 /nfs/dbraw/zinc/60/35/84/1209603584.db2.gz RYPUKOIQUUWMAE-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110672368 1209603591 /nfs/dbraw/zinc/60/35/91/1209603591.db2.gz RYPUKOIQUUWMAE-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110672368 1209603595 /nfs/dbraw/zinc/60/35/95/1209603595.db2.gz RYPUKOIQUUWMAE-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)O1 ZINC001110708051 1209709735 /nfs/dbraw/zinc/70/97/35/1209709735.db2.gz IFVUCFLBKNMIMS-DGXTUMSLSA-N 2 2 366.506 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)O1 ZINC001110708051 1209709741 /nfs/dbraw/zinc/70/97/41/1209709741.db2.gz IFVUCFLBKNMIMS-DGXTUMSLSA-N 2 2 366.506 0.342 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)O1 ZINC001110708051 1209709747 /nfs/dbraw/zinc/70/97/47/1209709747.db2.gz IFVUCFLBKNMIMS-DGXTUMSLSA-N 2 2 366.506 0.342 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)O1 ZINC001110708051 1209709754 /nfs/dbraw/zinc/70/97/54/1209709754.db2.gz IFVUCFLBKNMIMS-DGXTUMSLSA-N 2 2 366.506 0.342 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000857101846 1209741349 /nfs/dbraw/zinc/74/13/49/1209741349.db2.gz KCHKDSMKTIUYFD-BEFAXECRSA-N 2 2 353.426 0.828 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc2)CC1 ZINC000861539856 1209870199 /nfs/dbraw/zinc/87/01/99/1209870199.db2.gz QIKPSERVTIPADG-HNNXBMFYSA-N 2 2 361.490 0.568 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000863320382 1209938303 /nfs/dbraw/zinc/93/83/03/1209938303.db2.gz BQPDAGFSLLCVGW-OAHLLOKOSA-N 2 2 370.494 0.158 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000863320382 1209938308 /nfs/dbraw/zinc/93/83/08/1209938308.db2.gz BQPDAGFSLLCVGW-OAHLLOKOSA-N 2 2 370.494 0.158 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986265 1225176025 /nfs/dbraw/zinc/17/60/25/1225176025.db2.gz YUKIWBNARBJVKC-NXHRZFHOSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986265 1225176027 /nfs/dbraw/zinc/17/60/27/1225176027.db2.gz YUKIWBNARBJVKC-NXHRZFHOSA-N 2 2 362.474 0.020 20 0 FCADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000865199249 1209974829 /nfs/dbraw/zinc/97/48/29/1209974829.db2.gz QBFCGYHTRUMVFL-ONEGZZNKSA-N 2 2 374.485 0.483 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709638 1210002990 /nfs/dbraw/zinc/00/29/90/1210002990.db2.gz SXJSERICBGVJMH-BMFZPTHFSA-N 2 2 362.405 0.940 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000866709638 1210002992 /nfs/dbraw/zinc/00/29/92/1210002992.db2.gz SXJSERICBGVJMH-BMFZPTHFSA-N 2 2 362.405 0.940 20 0 FCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000794965033 1210013483 /nfs/dbraw/zinc/01/34/83/1210013483.db2.gz VYBQHECJGGNYIT-HWWDLCQESA-N 2 2 358.442 0.471 20 0 FCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000794965033 1210013487 /nfs/dbraw/zinc/01/34/87/1210013487.db2.gz VYBQHECJGGNYIT-HWWDLCQESA-N 2 2 358.442 0.471 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000867957045 1210038014 /nfs/dbraw/zinc/03/80/14/1210038014.db2.gz ZOWRLRSPARUKOT-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994178 1225178594 /nfs/dbraw/zinc/17/85/94/1225178594.db2.gz FJHYEBXZYCVILG-OIISXLGYSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994178 1225178602 /nfs/dbraw/zinc/17/86/02/1225178602.db2.gz FJHYEBXZYCVILG-OIISXLGYSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)CC1=O ZINC000870081435 1210108312 /nfs/dbraw/zinc/10/83/12/1210108312.db2.gz GYEUKOFWJZXJHG-RDJZCZTQSA-N 2 2 360.458 0.275 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453279 1210110130 /nfs/dbraw/zinc/11/01/30/1210110130.db2.gz LGPAURFVAJZISI-GAGVYUBLSA-N 2 2 366.506 0.057 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453279 1210110135 /nfs/dbraw/zinc/11/01/35/1210110135.db2.gz LGPAURFVAJZISI-GAGVYUBLSA-N 2 2 366.506 0.057 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114453279 1210110138 /nfs/dbraw/zinc/11/01/38/1210110138.db2.gz LGPAURFVAJZISI-GAGVYUBLSA-N 2 2 366.506 0.057 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114453279 1210110142 /nfs/dbraw/zinc/11/01/42/1210110142.db2.gz LGPAURFVAJZISI-GAGVYUBLSA-N 2 2 366.506 0.057 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000871283058 1210137690 /nfs/dbraw/zinc/13/76/90/1210137690.db2.gz FZNDFZQHZWZZMS-IBGZPJMESA-N 2 2 360.502 0.559 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+](C)CC2)C1 ZINC000871283058 1210137696 /nfs/dbraw/zinc/13/76/96/1210137696.db2.gz FZNDFZQHZWZZMS-IBGZPJMESA-N 2 2 360.502 0.559 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H](C)[NH+]1CCOCC1 ZINC000875243535 1210356225 /nfs/dbraw/zinc/35/62/25/1210356225.db2.gz WBZWWEGWDTYRKY-SJORKVTESA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073035 1225210159 /nfs/dbraw/zinc/21/01/59/1225210159.db2.gz CMWLEISFNVTLSG-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073035 1225210165 /nfs/dbraw/zinc/21/01/65/1225210165.db2.gz CMWLEISFNVTLSG-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073448 1225210619 /nfs/dbraw/zinc/21/06/19/1225210619.db2.gz XGUFHGNTGHNHHW-ZACQAIPSSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073448 1225210623 /nfs/dbraw/zinc/21/06/23/1225210623.db2.gz XGUFHGNTGHNHHW-ZACQAIPSSA-N 2 2 368.522 0.184 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cnc(C[NH3+])nc3)C2)c1 ZINC000877248089 1210440894 /nfs/dbraw/zinc/44/08/94/1210440894.db2.gz FNYLJZIWKMMMBG-QGZVFWFLSA-N 2 2 355.442 0.875 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cnc(C[NH3+])nc3)C2)c1 ZINC000877248089 1210440895 /nfs/dbraw/zinc/44/08/95/1210440895.db2.gz FNYLJZIWKMMMBG-QGZVFWFLSA-N 2 2 355.442 0.875 20 0 FCADLP COc1cccc(CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000879449236 1210481484 /nfs/dbraw/zinc/48/14/84/1210481484.db2.gz LGXCDMKNGPAWHE-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091526 1225218196 /nfs/dbraw/zinc/21/81/96/1225218196.db2.gz PWSHPUYUYOHCKK-UAGQMJEPSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091526 1225218200 /nfs/dbraw/zinc/21/82/00/1225218200.db2.gz PWSHPUYUYOHCKK-UAGQMJEPSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091526 1225218204 /nfs/dbraw/zinc/21/82/04/1225218204.db2.gz PWSHPUYUYOHCKK-UAGQMJEPSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001221091526 1225218205 /nfs/dbraw/zinc/21/82/05/1225218205.db2.gz PWSHPUYUYOHCKK-UAGQMJEPSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091147 1225217943 /nfs/dbraw/zinc/21/79/43/1225217943.db2.gz DDPNSTCVOOUNLH-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091147 1225217949 /nfs/dbraw/zinc/21/79/49/1225217949.db2.gz DDPNSTCVOOUNLH-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091147 1225217956 /nfs/dbraw/zinc/21/79/56/1225217956.db2.gz DDPNSTCVOOUNLH-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091147 1225217960 /nfs/dbraw/zinc/21/79/60/1225217960.db2.gz DDPNSTCVOOUNLH-BBWFWOEESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)(C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000881623935 1210595258 /nfs/dbraw/zinc/59/52/58/1210595258.db2.gz BNKXADXTWSNVFB-UHFFFAOYSA-N 2 2 366.506 0.430 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202553197 1210659882 /nfs/dbraw/zinc/65/98/82/1210659882.db2.gz WYADBXLFNMRKRA-HZPDHXFCSA-N 2 2 361.490 0.876 20 0 FCADLP CO[C@@H]1COCC[C@@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000883249065 1210660405 /nfs/dbraw/zinc/66/04/05/1210660405.db2.gz RMOKHDABWQWZJG-ZWKOTPCHSA-N 2 2 368.522 0.990 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883385772 1210664252 /nfs/dbraw/zinc/66/42/52/1210664252.db2.gz SEQFQLUAOYKTPV-KRWDZBQOSA-N 2 2 369.554 0.765 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883385772 1210664263 /nfs/dbraw/zinc/66/42/63/1210664263.db2.gz SEQFQLUAOYKTPV-KRWDZBQOSA-N 2 2 369.554 0.765 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)C[C@@H]3CCCO3)CC2)CC1 ZINC000884124308 1210716346 /nfs/dbraw/zinc/71/63/46/1210716346.db2.gz UGAHQUNPFJRTBF-AEFFLSMTSA-N 2 2 368.522 0.774 20 0 FCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884207651 1210723540 /nfs/dbraw/zinc/72/35/40/1210723540.db2.gz BMXRLAARJMWWHM-OAHLLOKOSA-N 2 2 359.474 0.482 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884527879 1210745233 /nfs/dbraw/zinc/74/52/33/1210745233.db2.gz BPFNCUWJBIWZBP-KRWDZBQOSA-N 2 2 363.421 0.781 20 0 FCADLP O=C(NCc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000884572280 1210754498 /nfs/dbraw/zinc/75/44/98/1210754498.db2.gz KOFRIDFJGKUAMT-OAHLLOKOSA-N 2 2 353.426 0.276 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000884622277 1210764493 /nfs/dbraw/zinc/76/44/93/1210764493.db2.gz JXAPKIOWUVXRPR-HUUCEWRRSA-N 2 2 373.501 0.786 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634131 1210768770 /nfs/dbraw/zinc/76/87/70/1210768770.db2.gz ONNSPXMCCDHGDD-HIFRSBDPSA-N 2 2 366.412 0.650 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634131 1210768776 /nfs/dbraw/zinc/76/87/76/1210768776.db2.gz ONNSPXMCCDHGDD-HIFRSBDPSA-N 2 2 366.412 0.650 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884681832 1210779654 /nfs/dbraw/zinc/77/96/54/1210779654.db2.gz HMBHNNCTBQOCQM-NVXWUHKLSA-N 2 2 355.442 0.856 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000884698807 1210783305 /nfs/dbraw/zinc/78/33/05/1210783305.db2.gz SPZHIENQZPCCBG-NVXWUHKLSA-N 2 2 362.474 0.023 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000884698807 1210783314 /nfs/dbraw/zinc/78/33/14/1210783314.db2.gz SPZHIENQZPCCBG-NVXWUHKLSA-N 2 2 362.474 0.023 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[NH2+]1 ZINC000884718696 1210787337 /nfs/dbraw/zinc/78/73/37/1210787337.db2.gz NAFPMWIBRNGPBW-OIISXLGYSA-N 2 2 355.442 0.997 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000884726632 1210790832 /nfs/dbraw/zinc/79/08/32/1210790832.db2.gz YASVFAFXTNPJNB-ZDRJDWQYSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000884726632 1210790841 /nfs/dbraw/zinc/79/08/41/1210790841.db2.gz YASVFAFXTNPJNB-ZDRJDWQYSA-N 2 2 356.470 0.794 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884970583 1210806146 /nfs/dbraw/zinc/80/61/46/1210806146.db2.gz NGQLYSQMFGGOAG-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000884970583 1210806150 /nfs/dbraw/zinc/80/61/50/1210806150.db2.gz NGQLYSQMFGGOAG-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)c1 ZINC000885017739 1210808795 /nfs/dbraw/zinc/80/87/95/1210808795.db2.gz DFCLNIQNLLAOIV-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)C2)c1 ZINC000885017739 1210808799 /nfs/dbraw/zinc/80/87/99/1210808799.db2.gz DFCLNIQNLLAOIV-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)c1 ZINC000885017803 1210808825 /nfs/dbraw/zinc/80/88/25/1210808825.db2.gz DFCLNIQNLLAOIV-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)c1 ZINC000885017803 1210808827 /nfs/dbraw/zinc/80/88/27/1210808827.db2.gz DFCLNIQNLLAOIV-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021035 1210809268 /nfs/dbraw/zinc/80/92/68/1210809268.db2.gz STEOQTXDUROUSL-MSOLQXFVSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021035 1210809269 /nfs/dbraw/zinc/80/92/69/1210809269.db2.gz STEOQTXDUROUSL-MSOLQXFVSA-N 2 2 374.485 0.132 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885023101 1210810020 /nfs/dbraw/zinc/81/00/20/1210810020.db2.gz WFYPFQLTDKBIFA-HIFRSBDPSA-N 2 2 366.412 0.650 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885023101 1210810022 /nfs/dbraw/zinc/81/00/22/1210810022.db2.gz WFYPFQLTDKBIFA-HIFRSBDPSA-N 2 2 366.412 0.650 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000885226911 1210816041 /nfs/dbraw/zinc/81/60/41/1210816041.db2.gz CSDJAGVPVJHEGZ-HLLBOEOZSA-N 2 2 355.442 0.949 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975381 1210822870 /nfs/dbraw/zinc/82/28/70/1210822870.db2.gz FYEMQGFQQNTXRJ-BZUAXINKSA-N 2 2 363.462 0.167 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975381 1210822871 /nfs/dbraw/zinc/82/28/71/1210822871.db2.gz FYEMQGFQQNTXRJ-BZUAXINKSA-N 2 2 363.462 0.167 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975580 1210823436 /nfs/dbraw/zinc/82/34/36/1210823436.db2.gz JNCXFLVZHPKZCS-HUUCEWRRSA-N 2 2 363.462 0.026 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975580 1210823437 /nfs/dbraw/zinc/82/34/37/1210823437.db2.gz JNCXFLVZHPKZCS-HUUCEWRRSA-N 2 2 363.462 0.026 20 0 FCADLP O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H]1CC[C@H]2C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000886880971 1210838670 /nfs/dbraw/zinc/83/86/70/1210838670.db2.gz KZCRZTLRVUUJIF-VPAKFMSCSA-N 2 2 369.465 0.870 20 0 FCADLP O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H]1CC[C@H]2C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000886880971 1210838674 /nfs/dbraw/zinc/83/86/74/1210838674.db2.gz KZCRZTLRVUUJIF-VPAKFMSCSA-N 2 2 369.465 0.870 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001691711154 1210839127 /nfs/dbraw/zinc/83/91/27/1210839127.db2.gz FOWKBOJYAONXCD-DLBZAZTESA-N 2 2 360.462 0.627 20 0 FCADLP CCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000886994419 1210842039 /nfs/dbraw/zinc/84/20/39/1210842039.db2.gz WFEDQUMHRPIELK-SFHVURJKSA-N 2 2 373.501 0.583 20 0 FCADLP C[NH+]1CCC(O)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(=O)[nH]2)CC1 ZINC001274203318 1210911625 /nfs/dbraw/zinc/91/16/25/1210911625.db2.gz MGTNHUGDAHTEIS-IYBDPMFKSA-N 2 2 360.458 0.419 20 0 FCADLP C[NH+]1CCC(O)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(=O)[nH]2)CC1 ZINC001274203318 1210911633 /nfs/dbraw/zinc/91/16/33/1210911633.db2.gz MGTNHUGDAHTEIS-IYBDPMFKSA-N 2 2 360.458 0.419 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C[C@@H]1C ZINC000826634249 1210938158 /nfs/dbraw/zinc/93/81/58/1210938158.db2.gz YRDINSJXJYWSFX-OKILXGFUSA-N 2 2 367.498 0.642 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C[C@@H]1C ZINC000826634249 1210938160 /nfs/dbraw/zinc/93/81/60/1210938160.db2.gz YRDINSJXJYWSFX-OKILXGFUSA-N 2 2 367.498 0.642 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001221166629 1225250425 /nfs/dbraw/zinc/25/04/25/1225250425.db2.gz YWFIMMIJQQGGBQ-SJORKVTESA-N 2 2 362.405 0.653 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001221166629 1225250431 /nfs/dbraw/zinc/25/04/31/1225250431.db2.gz YWFIMMIJQQGGBQ-SJORKVTESA-N 2 2 362.405 0.653 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000890278209 1210973235 /nfs/dbraw/zinc/97/32/35/1210973235.db2.gz PTNXOOKXJZQDSI-MRXNPFEDSA-N 2 2 365.522 0.665 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000890278209 1210973239 /nfs/dbraw/zinc/97/32/39/1210973239.db2.gz PTNXOOKXJZQDSI-MRXNPFEDSA-N 2 2 365.522 0.665 20 0 FCADLP [NH3+]C1(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC[NH2+]CC1 ZINC001221181603 1225256041 /nfs/dbraw/zinc/25/60/41/1225256041.db2.gz LHNAAFHTDBCQGS-UHFFFAOYSA-N 2 2 372.395 0.661 20 0 FCADLP CCC[NH+](CCC)CC(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274471847 1211062245 /nfs/dbraw/zinc/06/22/45/1211062245.db2.gz POHLTHZWTBPMJI-HDICACEKSA-N 2 2 363.506 0.917 20 0 FCADLP O=C1CC[C@H](C[N@@H+]2CCC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149225 1211181407 /nfs/dbraw/zinc/18/14/07/1211181407.db2.gz VCVSIEQDTWBWJH-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP O=C1CC[C@H](C[N@H+]2CCC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149225 1211181410 /nfs/dbraw/zinc/18/14/10/1211181410.db2.gz VCVSIEQDTWBWJH-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cn[nH]c2)CC1 ZINC001275169756 1211187539 /nfs/dbraw/zinc/18/75/39/1211187539.db2.gz LVVLGSBCJRVFAH-QZTJIDSGSA-N 2 2 360.506 0.613 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cn[nH]c2)CC1 ZINC001275169756 1211187540 /nfs/dbraw/zinc/18/75/40/1211187540.db2.gz LVVLGSBCJRVFAH-QZTJIDSGSA-N 2 2 360.506 0.613 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001275331400 1211216591 /nfs/dbraw/zinc/21/65/91/1211216591.db2.gz VXHFCYZOIAKKPG-GOSISDBHSA-N 2 2 358.446 0.603 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001275331400 1211216594 /nfs/dbraw/zinc/21/65/94/1211216594.db2.gz VXHFCYZOIAKKPG-GOSISDBHSA-N 2 2 358.446 0.603 20 0 FCADLP Cn1nccc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275365600 1211223551 /nfs/dbraw/zinc/22/35/51/1211223551.db2.gz ONKUSNNVYMYUAJ-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1nccc1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275365600 1211223553 /nfs/dbraw/zinc/22/35/53/1211223553.db2.gz ONKUSNNVYMYUAJ-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(Cc3c[nH+]ccc3N)C[C@@]2(F)C1=O ZINC001275455680 1211241800 /nfs/dbraw/zinc/24/18/00/1211241800.db2.gz PCHMQUNOUVNVAU-DLBZAZTESA-N 2 2 362.384 0.502 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH+]ccc1N ZINC001275455630 1211241959 /nfs/dbraw/zinc/24/19/59/1211241959.db2.gz NFSKELHRMKOBSG-LJQANCHMSA-N 2 2 359.474 0.976 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnccn3)C2)C1=O ZINC001275472985 1211247350 /nfs/dbraw/zinc/24/73/50/1211247350.db2.gz RVDLKFCVQPGEIM-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cnccn3)C2)C1=O ZINC001275472985 1211247351 /nfs/dbraw/zinc/24/73/51/1211247351.db2.gz RVDLKFCVQPGEIM-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275670231 1211271126 /nfs/dbraw/zinc/27/11/26/1211271126.db2.gz RIWOWFMISUVQHL-GOSISDBHSA-N 2 2 358.446 0.727 20 0 FCADLP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275670231 1211271129 /nfs/dbraw/zinc/27/11/29/1211271129.db2.gz RIWOWFMISUVQHL-GOSISDBHSA-N 2 2 358.446 0.727 20 0 FCADLP COCCOC[N@@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800853 1211285448 /nfs/dbraw/zinc/28/54/48/1211285448.db2.gz IHHQCYJCTCBFCZ-IEBWSBKVSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[N@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800853 1211285451 /nfs/dbraw/zinc/28/54/51/1211285451.db2.gz IHHQCYJCTCBFCZ-IEBWSBKVSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800853 1211285456 /nfs/dbraw/zinc/28/54/56/1211285456.db2.gz IHHQCYJCTCBFCZ-IEBWSBKVSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800853 1211285458 /nfs/dbraw/zinc/28/54/58/1211285458.db2.gz IHHQCYJCTCBFCZ-IEBWSBKVSA-N 2 2 369.506 0.378 20 0 FCADLP O=C1CO[C@@]2(CC[N@@H+](Cc3ccncc3O)C2)CN1CCn1cc[nH+]c1 ZINC001275810804 1211287936 /nfs/dbraw/zinc/28/79/36/1211287936.db2.gz LCGOEQKODCUWRH-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](Cc3ccncc3O)C2)CN1CCn1cc[nH+]c1 ZINC001275810804 1211287939 /nfs/dbraw/zinc/28/79/39/1211287939.db2.gz LCGOEQKODCUWRH-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303100 /nfs/dbraw/zinc/30/31/00/1211303100.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303102 /nfs/dbraw/zinc/30/31/02/1211303102.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303103 /nfs/dbraw/zinc/30/31/03/1211303103.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878601 1211303105 /nfs/dbraw/zinc/30/31/05/1211303105.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878601 1211303107 /nfs/dbraw/zinc/30/31/07/1211303107.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 3 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878601 1211303109 /nfs/dbraw/zinc/30/31/09/1211303109.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878601 1211303110 /nfs/dbraw/zinc/30/31/10/1211303110.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878601 1211303112 /nfs/dbraw/zinc/30/31/12/1211303112.db2.gz LVQUOFZSCHRMMF-IEBWSBKVSA-N 3 2 361.490 0.528 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(C[C@H]3CCC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001275879158 1211305862 /nfs/dbraw/zinc/30/58/62/1211305862.db2.gz OGQLOWGBPIECNI-JCGIZDLHSA-N 2 2 367.444 0.836 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(C[C@H]3CCC[N@@H+](C)C3)C[C@@]2(F)C1=O ZINC001275879158 1211305868 /nfs/dbraw/zinc/30/58/68/1211305868.db2.gz OGQLOWGBPIECNI-JCGIZDLHSA-N 2 2 367.444 0.836 20 0 FCADLP CNc1nccc(C[N@@H+]2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276057008 1211342748 /nfs/dbraw/zinc/34/27/48/1211342748.db2.gz MANXOQNMXFEFDK-GOSISDBHSA-N 2 2 355.446 0.839 20 0 FCADLP CNc1nccc(C[N@H+]2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276057008 1211342749 /nfs/dbraw/zinc/34/27/49/1211342749.db2.gz MANXOQNMXFEFDK-GOSISDBHSA-N 2 2 355.446 0.839 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447649 1211348485 /nfs/dbraw/zinc/34/84/85/1211348485.db2.gz GSFWKNDJMBQYSY-UGUYLWEFSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447649 1211348488 /nfs/dbraw/zinc/34/84/88/1211348488.db2.gz GSFWKNDJMBQYSY-UGUYLWEFSA-N 2 2 359.474 0.747 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]([NH3+])Cc1ccccc1F ZINC001221256813 1225282155 /nfs/dbraw/zinc/28/21/55/1225282155.db2.gz NEKPAYYDTOKOIS-CVEARBPZSA-N 2 2 362.405 0.720 20 0 FCADLP C[NH2+][C@H](C(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC)[C@@H](C)OC(C)(C)C ZINC001221256920 1225282575 /nfs/dbraw/zinc/28/25/75/1225282575.db2.gz RGIWDZKNDFDHIL-SNPRPXQTSA-N 2 2 368.478 0.802 20 0 FCADLP CO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946979054 1211464426 /nfs/dbraw/zinc/46/44/26/1211464426.db2.gz ISSDOGJQIIKKDS-HUUCEWRRSA-N 2 2 363.462 0.169 20 0 FCADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC000924807935 1211482076 /nfs/dbraw/zinc/48/20/76/1211482076.db2.gz PCYJUUVGBPFLIV-INIZCTEOSA-N 2 2 359.474 0.218 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CN3C(=O)N[C@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046937 1211489330 /nfs/dbraw/zinc/48/93/30/1211489330.db2.gz UAHXCIIPTVJJCQ-IAGOWNOFSA-N 2 2 360.458 0.678 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CN3C(=O)N[C@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046937 1211489331 /nfs/dbraw/zinc/48/93/31/1211489331.db2.gz UAHXCIIPTVJJCQ-IAGOWNOFSA-N 2 2 360.458 0.678 20 0 FCADLP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221311676 1225294348 /nfs/dbraw/zinc/29/43/48/1225294348.db2.gz GKDBWJRECZPZTQ-SGTLLEGYSA-N 2 2 356.382 0.638 20 0 FCADLP COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001221320891 1225296298 /nfs/dbraw/zinc/29/62/98/1225296298.db2.gz HTLRMVNQYYQVQC-CXAGYDPISA-N 2 2 362.474 0.113 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000927643089 1211578909 /nfs/dbraw/zinc/57/89/09/1211578909.db2.gz FQSGEDDSFKDANY-ZWKOTPCHSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000927643089 1211578912 /nfs/dbraw/zinc/57/89/12/1211578912.db2.gz FQSGEDDSFKDANY-ZWKOTPCHSA-N 2 2 366.506 0.746 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001110947162 1211608563 /nfs/dbraw/zinc/60/85/63/1211608563.db2.gz ASWKBOHGLIVVSO-MWTISTBLSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CC2)CC[N@H+]1C ZINC001110947162 1211608565 /nfs/dbraw/zinc/60/85/65/1211608565.db2.gz ASWKBOHGLIVVSO-MWTISTBLSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001110947162 1211608566 /nfs/dbraw/zinc/60/85/66/1211608566.db2.gz ASWKBOHGLIVVSO-MWTISTBLSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC[NH+]1C ZINC001110947162 1211608567 /nfs/dbraw/zinc/60/85/67/1211608567.db2.gz ASWKBOHGLIVVSO-MWTISTBLSA-N 2 2 362.518 0.964 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403627 1211636590 /nfs/dbraw/zinc/63/65/90/1211636590.db2.gz RMPLDJBPSKFPJS-QZTJIDSGSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403627 1211636593 /nfs/dbraw/zinc/63/65/93/1211636593.db2.gz RMPLDJBPSKFPJS-QZTJIDSGSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000929403627 1211636596 /nfs/dbraw/zinc/63/65/96/1211636596.db2.gz RMPLDJBPSKFPJS-QZTJIDSGSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000929403627 1211636599 /nfs/dbraw/zinc/63/65/99/1211636599.db2.gz RMPLDJBPSKFPJS-QZTJIDSGSA-N 2 2 358.486 0.760 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000931614564 1211764117 /nfs/dbraw/zinc/76/41/17/1211764117.db2.gz XZPYYDJKBNHWKT-QGZVFWFLSA-N 2 2 369.425 0.839 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CC[NH+]3C)CC2)cc1 ZINC000931871970 1211774855 /nfs/dbraw/zinc/77/48/55/1211774855.db2.gz CRTFQLFMWYCORZ-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CC[NH+]3C)CC2)cc1 ZINC000931871970 1211774856 /nfs/dbraw/zinc/77/48/56/1211774856.db2.gz CRTFQLFMWYCORZ-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)CC2)cc1 ZINC000931871970 1211774864 /nfs/dbraw/zinc/77/48/64/1211774864.db2.gz CRTFQLFMWYCORZ-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)CC2)cc1 ZINC000931871970 1211774867 /nfs/dbraw/zinc/77/48/67/1211774867.db2.gz CRTFQLFMWYCORZ-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621667 1211814108 /nfs/dbraw/zinc/81/41/08/1211814108.db2.gz NGJIIBIPXNJDLA-KBXCAEBGSA-N 2 2 374.489 0.506 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621667 1211814111 /nfs/dbraw/zinc/81/41/11/1211814111.db2.gz NGJIIBIPXNJDLA-KBXCAEBGSA-N 2 2 374.489 0.506 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001111040753 1211821518 /nfs/dbraw/zinc/82/15/18/1211821518.db2.gz ZJCMKQCNZIHBSF-HHARLNAUSA-N 2 2 362.474 0.908 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001111040753 1211821520 /nfs/dbraw/zinc/82/15/20/1211821520.db2.gz ZJCMKQCNZIHBSF-HHARLNAUSA-N 2 2 362.474 0.908 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O ZINC001111146871 1211900063 /nfs/dbraw/zinc/90/00/63/1211900063.db2.gz CXGPRHXODYPCJS-WCXIOVBPSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O ZINC001111146871 1211900066 /nfs/dbraw/zinc/90/00/66/1211900066.db2.gz CXGPRHXODYPCJS-WCXIOVBPSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001111151936 1211902060 /nfs/dbraw/zinc/90/20/60/1211902060.db2.gz MRAUFKCHJOPNKY-LVQVYYBASA-N 2 2 373.444 0.854 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@@H]1CC1(F)F ZINC001111151936 1211902064 /nfs/dbraw/zinc/90/20/64/1211902064.db2.gz MRAUFKCHJOPNKY-LVQVYYBASA-N 2 2 373.444 0.854 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153134 1211902627 /nfs/dbraw/zinc/90/26/27/1211902627.db2.gz GHXZKVRSWWPOJX-NCOADZHNSA-N 2 2 366.506 0.474 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153134 1211902632 /nfs/dbraw/zinc/90/26/32/1211902632.db2.gz GHXZKVRSWWPOJX-NCOADZHNSA-N 2 2 366.506 0.474 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784501 1211999568 /nfs/dbraw/zinc/99/95/68/1211999568.db2.gz WBODOVIZOCGQSS-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784501 1211999574 /nfs/dbraw/zinc/99/95/74/1211999574.db2.gz WBODOVIZOCGQSS-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784501 1211999577 /nfs/dbraw/zinc/99/95/77/1211999577.db2.gz WBODOVIZOCGQSS-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784501 1211999585 /nfs/dbraw/zinc/99/95/85/1211999585.db2.gz WBODOVIZOCGQSS-UCYYZJKDSA-N 2 2 371.485 0.505 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155632 1212045078 /nfs/dbraw/zinc/04/50/78/1212045078.db2.gz ZKKJTMUTXCXNDG-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155632 1212045085 /nfs/dbraw/zinc/04/50/85/1212045085.db2.gz ZKKJTMUTXCXNDG-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155632 1212045092 /nfs/dbraw/zinc/04/50/92/1212045092.db2.gz ZKKJTMUTXCXNDG-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155632 1212045099 /nfs/dbraw/zinc/04/50/99/1212045099.db2.gz ZKKJTMUTXCXNDG-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1)[NH+](C)C ZINC000968605170 1212045563 /nfs/dbraw/zinc/04/55/63/1212045563.db2.gz MCNATKQZHFIJNN-PMPSAXMXSA-N 2 2 359.430 0.205 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000968620826 1212049234 /nfs/dbraw/zinc/04/92/34/1212049234.db2.gz GBTRIWQFGZUBKE-ZACQAIPSSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000968620826 1212049238 /nfs/dbraw/zinc/04/92/38/1212049238.db2.gz GBTRIWQFGZUBKE-ZACQAIPSSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000968712370 1212093752 /nfs/dbraw/zinc/09/37/52/1212093752.db2.gz RVIJCAYTBVPNAE-BRWVUGGUSA-N 2 2 371.485 0.577 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NC2CC2)O1 ZINC000968914700 1212178167 /nfs/dbraw/zinc/17/81/67/1212178167.db2.gz ZMGOSGXNQQTZLV-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001111276460 1212191796 /nfs/dbraw/zinc/19/17/96/1212191796.db2.gz WQEWRHRCYOEMGC-DDBAPUKQSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001111276460 1212191803 /nfs/dbraw/zinc/19/18/03/1212191803.db2.gz WQEWRHRCYOEMGC-DDBAPUKQSA-N 2 2 362.474 0.880 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542722 1212197487 /nfs/dbraw/zinc/19/74/87/1212197487.db2.gz UERMWEUBWNNCRS-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542722 1212197492 /nfs/dbraw/zinc/19/74/92/1212197492.db2.gz UERMWEUBWNNCRS-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542722 1212197495 /nfs/dbraw/zinc/19/74/95/1212197495.db2.gz UERMWEUBWNNCRS-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)o1 ZINC000948542722 1212197498 /nfs/dbraw/zinc/19/74/98/1212197498.db2.gz UERMWEUBWNNCRS-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111277331 1212204015 /nfs/dbraw/zinc/20/40/15/1212204015.db2.gz MGSHMXIXHPENBK-OAGGEKHMSA-N 2 2 363.462 0.285 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111277331 1212204017 /nfs/dbraw/zinc/20/40/17/1212204017.db2.gz MGSHMXIXHPENBK-OAGGEKHMSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111280268 1212225480 /nfs/dbraw/zinc/22/54/80/1212225480.db2.gz RSDLCDLSRRYXAG-OAGGEKHMSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001111280268 1212225481 /nfs/dbraw/zinc/22/54/81/1212225481.db2.gz RSDLCDLSRRYXAG-OAGGEKHMSA-N 2 2 363.462 0.285 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(C4CC4)nn3C)C2)O1 ZINC000969072069 1212255236 /nfs/dbraw/zinc/25/52/36/1212255236.db2.gz VOFUVCDXQUQWTB-BPLDGKMQSA-N 2 2 362.478 0.102 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(C4CC4)nn3C)C2)O1 ZINC000969072069 1212255240 /nfs/dbraw/zinc/25/52/40/1212255240.db2.gz VOFUVCDXQUQWTB-BPLDGKMQSA-N 2 2 362.478 0.102 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC[N@@H+]1C ZINC001006729603 1212334446 /nfs/dbraw/zinc/33/44/46/1212334446.db2.gz STRXQLNUZKVEIN-PXGUKHNGSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC[N@H+]1C ZINC001006729603 1212334455 /nfs/dbraw/zinc/33/44/55/1212334455.db2.gz STRXQLNUZKVEIN-PXGUKHNGSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000949319555 1212355032 /nfs/dbraw/zinc/35/50/32/1212355032.db2.gz QLTXKEWSNXYAEN-XOKHGSTOSA-N 2 2 359.474 0.268 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949838974 1212469603 /nfs/dbraw/zinc/46/96/03/1212469603.db2.gz XWVMUIAPDVFUHT-OIISXLGYSA-N 2 2 361.490 0.800 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949838974 1212469608 /nfs/dbraw/zinc/46/96/08/1212469608.db2.gz XWVMUIAPDVFUHT-OIISXLGYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000779341676 1212517628 /nfs/dbraw/zinc/51/76/28/1212517628.db2.gz PBVDSBMISPLBTH-NXHRZFHOSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000779341676 1212517631 /nfs/dbraw/zinc/51/76/31/1212517631.db2.gz PBVDSBMISPLBTH-NXHRZFHOSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001007700895 1212558283 /nfs/dbraw/zinc/55/82/83/1212558283.db2.gz FMHGARDBHYHCIB-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001007700895 1212558286 /nfs/dbraw/zinc/55/82/86/1212558286.db2.gz FMHGARDBHYHCIB-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001007712731 1212560374 /nfs/dbraw/zinc/56/03/74/1212560374.db2.gz ZQKUSCHPXUUCJR-YJBOKZPZSA-N 2 2 356.430 0.586 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)C1 ZINC001007848075 1212590365 /nfs/dbraw/zinc/59/03/65/1212590365.db2.gz MFBMTCAVYJMOSJ-BXWFABGCSA-N 2 2 359.474 0.722 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)C1 ZINC001007848075 1212590373 /nfs/dbraw/zinc/59/03/73/1212590373.db2.gz MFBMTCAVYJMOSJ-BXWFABGCSA-N 2 2 359.474 0.722 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000950606008 1212605370 /nfs/dbraw/zinc/60/53/70/1212605370.db2.gz MPAHLLCXNVOBQL-BFYDXBDKSA-N 2 2 371.485 0.504 20 0 FCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC000950618334 1212608849 /nfs/dbraw/zinc/60/88/49/1212608849.db2.gz CYZARGMXUSQOGC-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC000950618334 1212608854 /nfs/dbraw/zinc/60/88/54/1212608854.db2.gz CYZARGMXUSQOGC-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001691735242 1212640072 /nfs/dbraw/zinc/64/00/72/1212640072.db2.gz ALQQDDDCRRXNJA-ZBFHGGJFSA-N 2 2 369.897 0.838 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCn1cc(Cl)cn1 ZINC001691735242 1212640075 /nfs/dbraw/zinc/64/00/75/1212640075.db2.gz ALQQDDDCRRXNJA-ZBFHGGJFSA-N 2 2 369.897 0.838 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001008158873 1212646146 /nfs/dbraw/zinc/64/61/46/1212646146.db2.gz DZJXEVKRJNQKDL-KXBFYZLASA-N 2 2 359.474 0.791 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]cc[nH+]2)C1)C1CC1 ZINC001008158853 1212646512 /nfs/dbraw/zinc/64/65/12/1212646512.db2.gz CXIIXBQHTRCONN-YJLNNSPDSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001008361577 1212686525 /nfs/dbraw/zinc/68/65/25/1212686525.db2.gz CKQVORNLUGEVJI-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001008361577 1212686531 /nfs/dbraw/zinc/68/65/31/1212686531.db2.gz CKQVORNLUGEVJI-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111338092 1212712704 /nfs/dbraw/zinc/71/27/04/1212712704.db2.gz GRJASACEKOFNRK-BMFZPTHFSA-N 2 2 373.457 0.223 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111338092 1212712705 /nfs/dbraw/zinc/71/27/05/1212712705.db2.gz GRJASACEKOFNRK-BMFZPTHFSA-N 2 2 373.457 0.223 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111340537 1212737047 /nfs/dbraw/zinc/73/70/47/1212737047.db2.gz AKXZTXCHQJKQDZ-AHCXZYCDSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001111340537 1212737052 /nfs/dbraw/zinc/73/70/52/1212737052.db2.gz AKXZTXCHQJKQDZ-AHCXZYCDSA-N 2 2 373.501 0.991 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000779632804 1212775234 /nfs/dbraw/zinc/77/52/34/1212775234.db2.gz KBMRXHONFVLVFW-UHFFFAOYSA-N 2 2 361.446 0.504 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001009118827 1212807023 /nfs/dbraw/zinc/80/70/23/1212807023.db2.gz MNPXELKNNPNLPQ-QCODTGAPSA-N 2 2 359.474 0.421 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001009118827 1212807024 /nfs/dbraw/zinc/80/70/24/1212807024.db2.gz MNPXELKNNPNLPQ-QCODTGAPSA-N 2 2 359.474 0.421 20 0 FCADLP O=C(NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001009268277 1212830074 /nfs/dbraw/zinc/83/00/74/1212830074.db2.gz MOPUXRKBGCSCJX-QCODTGAPSA-N 2 2 369.469 0.430 20 0 FCADLP O=C(NC[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001009268277 1212830079 /nfs/dbraw/zinc/83/00/79/1212830079.db2.gz MOPUXRKBGCSCJX-QCODTGAPSA-N 2 2 369.469 0.430 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000952062450 1212896856 /nfs/dbraw/zinc/89/68/56/1212896856.db2.gz 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363.462 0.964 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nc(C2CC2)no1 ZINC001020289194 1214328934 /nfs/dbraw/zinc/32/89/34/1214328934.db2.gz UILPMSJKXPHVNM-OBRUSBNWSA-N 2 2 363.462 0.964 20 0 FCADLP COc1nccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC000961947843 1214372335 /nfs/dbraw/zinc/37/23/35/1214372335.db2.gz GSVYJFMDHWODBP-UZVIJOLCSA-N 2 2 356.430 0.996 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221912850 1225532904 /nfs/dbraw/zinc/53/29/04/1225532904.db2.gz UXZNZIOJZXQSLL-CRAIPNDOSA-N 2 2 371.441 0.423 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221912850 1225532907 /nfs/dbraw/zinc/53/29/07/1225532907.db2.gz UXZNZIOJZXQSLL-CRAIPNDOSA-N 2 2 371.441 0.423 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221919269 1225534826 /nfs/dbraw/zinc/53/48/26/1225534826.db2.gz GKHQVTICDPTQGW-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221919269 1225534829 /nfs/dbraw/zinc/53/48/29/1225534829.db2.gz GKHQVTICDPTQGW-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221919269 1225534834 /nfs/dbraw/zinc/53/48/34/1225534834.db2.gz GKHQVTICDPTQGW-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221919269 1225534838 /nfs/dbraw/zinc/53/48/38/1225534838.db2.gz GKHQVTICDPTQGW-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001040856170 1214606227 /nfs/dbraw/zinc/60/62/27/1214606227.db2.gz QFCYSCSDLBTINM-HUUCEWRRSA-N 2 2 359.474 0.584 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221942437 1225544393 /nfs/dbraw/zinc/54/43/93/1225544393.db2.gz LPZLRVYVIPDABS-CRAIPNDOSA-N 2 2 371.441 0.423 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221942437 1225544396 /nfs/dbraw/zinc/54/43/96/1225544396.db2.gz LPZLRVYVIPDABS-CRAIPNDOSA-N 2 2 371.441 0.423 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001041044135 1214675711 /nfs/dbraw/zinc/67/57/11/1214675711.db2.gz JGXICDQALHDRAY-HUUCEWRRSA-N 2 2 358.446 0.779 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c2c([nH+]1)CCCC2 ZINC001041050086 1214678626 /nfs/dbraw/zinc/67/86/26/1214678626.db2.gz WTSCBMWDUQTDGP-IAOVAPTHSA-N 2 2 359.474 0.281 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c2c([nH+]1)CCCC2 ZINC001041050086 1214678627 /nfs/dbraw/zinc/67/86/27/1214678627.db2.gz WTSCBMWDUQTDGP-IAOVAPTHSA-N 2 2 359.474 0.281 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041104133 1214702430 /nfs/dbraw/zinc/70/24/30/1214702430.db2.gz WCHAUFYFYSABPE-NUEKZKHPSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041104133 1214702433 /nfs/dbraw/zinc/70/24/33/1214702433.db2.gz WCHAUFYFYSABPE-NUEKZKHPSA-N 2 2 359.474 0.670 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nn1 ZINC001221947103 1225547395 /nfs/dbraw/zinc/54/73/95/1225547395.db2.gz RPRGZOPUZKXAOJ-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nn1 ZINC001221947103 1225547397 /nfs/dbraw/zinc/54/73/97/1225547397.db2.gz RPRGZOPUZKXAOJ-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962379 1225554679 /nfs/dbraw/zinc/55/46/79/1225554679.db2.gz AJAHFTAOMKAXTO-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962379 1225554685 /nfs/dbraw/zinc/55/46/85/1225554685.db2.gz AJAHFTAOMKAXTO-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCCNC1=O)C2 ZINC000965162029 1215026528 /nfs/dbraw/zinc/02/65/28/1215026528.db2.gz XQJLKCBLIICODY-FMHGDRJNSA-N 2 2 371.485 0.819 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001222016537 1225577057 /nfs/dbraw/zinc/57/70/57/1225577057.db2.gz ORHQBRZYWMPDIG-IAGOWNOFSA-N 2 2 359.474 0.641 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001222016537 1225577059 /nfs/dbraw/zinc/57/70/59/1225577059.db2.gz ORHQBRZYWMPDIG-IAGOWNOFSA-N 2 2 359.474 0.641 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001222016410 1225577864 /nfs/dbraw/zinc/57/78/64/1225577864.db2.gz IELAMICXSMHCBD-HZPDHXFCSA-N 2 2 361.490 0.887 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001222016410 1225577870 /nfs/dbraw/zinc/57/78/70/1225577870.db2.gz IELAMICXSMHCBD-HZPDHXFCSA-N 2 2 361.490 0.887 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000968012896 1215273545 /nfs/dbraw/zinc/27/35/45/1215273545.db2.gz HOYNXYNCOKPFKG-DLBZAZTESA-N 2 2 361.490 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000968012896 1215273546 /nfs/dbraw/zinc/27/35/46/1215273546.db2.gz HOYNXYNCOKPFKG-DLBZAZTESA-N 2 2 361.490 0.752 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222094153 1225598915 /nfs/dbraw/zinc/59/89/15/1225598915.db2.gz XFIVUIQHZAPZJB-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222094153 1225598920 /nfs/dbraw/zinc/59/89/20/1225598920.db2.gz XFIVUIQHZAPZJB-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000010540 1215991453 /nfs/dbraw/zinc/99/14/53/1215991453.db2.gz VFJQJILASNDMQG-ZIAGYGMSSA-N 2 2 368.441 0.625 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC001000244307 1216026311 /nfs/dbraw/zinc/02/63/11/1216026311.db2.gz GMFFJJBWUOJGJT-RRFJBIMHSA-N 2 2 371.489 0.995 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC001000244306 1216026964 /nfs/dbraw/zinc/02/69/64/1216026964.db2.gz GMFFJJBWUOJGJT-RBSFLKMASA-N 2 2 371.489 0.995 20 0 FCADLP C[C@@H](c1nncn1C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531250 1216237958 /nfs/dbraw/zinc/23/79/58/1216237958.db2.gz CQITWVAAKGRVMY-IJEWVQPXSA-N 2 2 364.494 0.423 20 0 FCADLP C[C@@H](c1nncn1C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531250 1216237967 /nfs/dbraw/zinc/23/79/67/1216237967.db2.gz CQITWVAAKGRVMY-IJEWVQPXSA-N 2 2 364.494 0.423 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2nncn2C)CC3)CC[N@@H+]1C ZINC001050523711 1216330925 /nfs/dbraw/zinc/33/09/25/1216330925.db2.gz HOMFLHZDDMNAOF-JKSUJKDBSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2nncn2C)CC3)CC[N@H+]1C ZINC001050523711 1216330933 /nfs/dbraw/zinc/33/09/33/1216330933.db2.gz HOMFLHZDDMNAOF-JKSUJKDBSA-N 2 2 360.506 0.970 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)CC2)C1=O ZINC001050553841 1216334984 /nfs/dbraw/zinc/33/49/84/1216334984.db2.gz LXBNXQKWSZQSNN-IIAWOOMASA-N 2 2 357.458 0.668 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001057748238 1216539377 /nfs/dbraw/zinc/53/93/77/1216539377.db2.gz AHMAUHQLPLAPSP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001057748238 1216539381 /nfs/dbraw/zinc/53/93/81/1216539381.db2.gz AHMAUHQLPLAPSP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC001057748238 1216539384 /nfs/dbraw/zinc/53/93/84/1216539384.db2.gz AHMAUHQLPLAPSP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC001057748238 1216539391 /nfs/dbraw/zinc/53/93/91/1216539391.db2.gz AHMAUHQLPLAPSP-JKSUJKDBSA-N 2 2 365.478 0.010 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223166148 1225686967 /nfs/dbraw/zinc/68/69/67/1225686967.db2.gz WJLKKIFQTWKQHE-CVEARBPZSA-N 2 2 361.490 0.754 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001223166148 1225686970 /nfs/dbraw/zinc/68/69/70/1225686970.db2.gz WJLKKIFQTWKQHE-CVEARBPZSA-N 2 2 361.490 0.754 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902295 1216827436 /nfs/dbraw/zinc/82/74/36/1216827436.db2.gz QAPRNECTUZRHNO-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902295 1216827441 /nfs/dbraw/zinc/82/74/41/1216827441.db2.gz QAPRNECTUZRHNO-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902295 1216827442 /nfs/dbraw/zinc/82/74/42/1216827442.db2.gz QAPRNECTUZRHNO-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902295 1216827443 /nfs/dbraw/zinc/82/74/43/1216827443.db2.gz QAPRNECTUZRHNO-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902511 1216827577 /nfs/dbraw/zinc/82/75/77/1216827577.db2.gz ATLMQSSNMGJCAZ-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902511 1216827582 /nfs/dbraw/zinc/82/75/82/1216827582.db2.gz ATLMQSSNMGJCAZ-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902511 1216827583 /nfs/dbraw/zinc/82/75/83/1216827583.db2.gz ATLMQSSNMGJCAZ-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902511 1216827584 /nfs/dbraw/zinc/82/75/84/1216827584.db2.gz ATLMQSSNMGJCAZ-KURKYZTESA-N 2 2 369.473 0.617 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001069962422 1216869125 /nfs/dbraw/zinc/86/91/25/1216869125.db2.gz VLXJLHQILAILGK-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001069962422 1216869127 /nfs/dbraw/zinc/86/91/27/1216869127.db2.gz VLXJLHQILAILGK-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963492 1216870127 /nfs/dbraw/zinc/87/01/27/1216870127.db2.gz JOMKNFZUHWPURP-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001069963492 1216870129 /nfs/dbraw/zinc/87/01/29/1216870129.db2.gz JOMKNFZUHWPURP-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001069963442 1216870500 /nfs/dbraw/zinc/87/05/00/1216870500.db2.gz HPUJEPFWVCCAGH-XYPHTWIQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001069963442 1216870501 /nfs/dbraw/zinc/87/05/01/1216870501.db2.gz HPUJEPFWVCCAGH-XYPHTWIQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001069963442 1216870502 /nfs/dbraw/zinc/87/05/02/1216870502.db2.gz HPUJEPFWVCCAGH-XYPHTWIQSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001069963442 1216870504 /nfs/dbraw/zinc/87/05/04/1216870504.db2.gz HPUJEPFWVCCAGH-XYPHTWIQSA-N 2 2 357.462 0.865 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001069963884 1216870802 /nfs/dbraw/zinc/87/08/02/1216870802.db2.gz SLJBQBRLLFZMQV-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001069963884 1216870803 /nfs/dbraw/zinc/87/08/03/1216870803.db2.gz SLJBQBRLLFZMQV-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069980398 1216882589 /nfs/dbraw/zinc/88/25/89/1216882589.db2.gz SUKLINSUIHCLMJ-WBVHZDCISA-N 2 2 357.462 0.804 20 0 FCADLP CC(C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069980398 1216882590 /nfs/dbraw/zinc/88/25/90/1216882590.db2.gz SUKLINSUIHCLMJ-WBVHZDCISA-N 2 2 357.462 0.804 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006276 1216893541 /nfs/dbraw/zinc/89/35/41/1216893541.db2.gz NFPCTDASHBRRTE-PMPSAXMXSA-N 2 2 368.457 0.088 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006276 1216893542 /nfs/dbraw/zinc/89/35/42/1216893542.db2.gz NFPCTDASHBRRTE-PMPSAXMXSA-N 2 2 368.457 0.088 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006276 1216893543 /nfs/dbraw/zinc/89/35/43/1216893543.db2.gz NFPCTDASHBRRTE-PMPSAXMXSA-N 2 2 368.457 0.088 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006276 1216893546 /nfs/dbraw/zinc/89/35/46/1216893546.db2.gz NFPCTDASHBRRTE-PMPSAXMXSA-N 2 2 368.457 0.088 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001070023102 1216901868 /nfs/dbraw/zinc/90/18/68/1216901868.db2.gz BGYRCBNKRXKUJI-IMJJTQAJSA-N 2 2 355.446 0.873 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001070023102 1216901869 /nfs/dbraw/zinc/90/18/69/1216901869.db2.gz BGYRCBNKRXKUJI-IMJJTQAJSA-N 2 2 355.446 0.873 20 0 FCADLP CCOC(=O)CCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276888007 1225703989 /nfs/dbraw/zinc/70/39/89/1225703989.db2.gz MACKBWZZUTTWOH-SFHVURJKSA-N 2 2 364.446 0.530 20 0 FCADLP CCOC(=O)CCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276888007 1225703991 /nfs/dbraw/zinc/70/39/91/1225703991.db2.gz MACKBWZZUTTWOH-SFHVURJKSA-N 2 2 364.446 0.530 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223481876 1225708667 /nfs/dbraw/zinc/70/86/67/1225708667.db2.gz DLQBNHICYLQFLD-VYDXJSESSA-N 2 2 362.474 0.761 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223481876 1225708668 /nfs/dbraw/zinc/70/86/68/1225708668.db2.gz DLQBNHICYLQFLD-VYDXJSESSA-N 2 2 362.474 0.761 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001041272551 1217264044 /nfs/dbraw/zinc/26/40/44/1217264044.db2.gz MCAZSEHCBNIXGB-OWCLPIDISA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001041272551 1217264047 /nfs/dbraw/zinc/26/40/47/1217264047.db2.gz MCAZSEHCBNIXGB-OWCLPIDISA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C(C)C)[nH+]1 ZINC001041396606 1217310327 /nfs/dbraw/zinc/31/03/27/1217310327.db2.gz JGWMKSIZNRZJLD-KLHDSHLOSA-N 2 2 361.490 0.914 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C(C)C)[nH+]1 ZINC001041396606 1217310330 /nfs/dbraw/zinc/31/03/30/1217310330.db2.gz JGWMKSIZNRZJLD-KLHDSHLOSA-N 2 2 361.490 0.914 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4nccn4C)C3)C2)O1 ZINC001041401385 1217312260 /nfs/dbraw/zinc/31/22/60/1217312260.db2.gz ARGKLCBJAOGTOH-MDZRGWNJSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4nccn4C)C3)C2)O1 ZINC001041401385 1217312264 /nfs/dbraw/zinc/31/22/64/1217312264.db2.gz ARGKLCBJAOGTOH-MDZRGWNJSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4nccn4C)C3)C2)O1 ZINC001041401385 1217312269 /nfs/dbraw/zinc/31/22/69/1217312269.db2.gz ARGKLCBJAOGTOH-MDZRGWNJSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4nccn4C)C3)C2)O1 ZINC001041401385 1217312274 /nfs/dbraw/zinc/31/22/74/1217312274.db2.gz ARGKLCBJAOGTOH-MDZRGWNJSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001043206389 1217589289 /nfs/dbraw/zinc/58/92/89/1217589289.db2.gz JETFIGXNKUFELZ-RHSMWYFYSA-N 2 2 358.490 0.819 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001043206389 1217589295 /nfs/dbraw/zinc/58/92/95/1217589295.db2.gz JETFIGXNKUFELZ-RHSMWYFYSA-N 2 2 358.490 0.819 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044059293 1217799484 /nfs/dbraw/zinc/79/94/84/1217799484.db2.gz NMXMGZVWIKWVDA-ZBFHGGJFSA-N 2 2 370.457 0.788 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001095995093 1217874506 /nfs/dbraw/zinc/87/45/06/1217874506.db2.gz YAJDYSVOAFPYFS-VDERGJSUSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001095995093 1217874507 /nfs/dbraw/zinc/87/45/07/1217874507.db2.gz YAJDYSVOAFPYFS-VDERGJSUSA-N 2 2 355.446 0.843 20 0 FCADLP COc1cncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001045091491 1217899669 /nfs/dbraw/zinc/89/96/69/1217899669.db2.gz YHDOKTOFRJFIFV-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1cncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001045091491 1217899672 /nfs/dbraw/zinc/89/96/72/1217899672.db2.gz YHDOKTOFRJFIFV-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693584 1218025120 /nfs/dbraw/zinc/02/51/20/1218025120.db2.gz XIQLAXQDFBUAPM-IRXDYDNUSA-N 2 2 368.522 0.261 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693584 1218025128 /nfs/dbraw/zinc/02/51/28/1218025128.db2.gz XIQLAXQDFBUAPM-IRXDYDNUSA-N 2 2 368.522 0.261 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001096090875 1218029422 /nfs/dbraw/zinc/02/94/22/1218029422.db2.gz ZJNQVXBSEVYPEM-PMPSAXMXSA-N 2 2 374.489 0.753 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096090875 1218029426 /nfs/dbraw/zinc/02/94/26/1218029426.db2.gz ZJNQVXBSEVYPEM-PMPSAXMXSA-N 2 2 374.489 0.753 20 0 FCADLP COc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046420179 1218035504 /nfs/dbraw/zinc/03/55/04/1218035504.db2.gz CWUWYRYVPUEKHB-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[N@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001046420179 1218035508 /nfs/dbraw/zinc/03/55/08/1218035508.db2.gz CWUWYRYVPUEKHB-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046420179 1218035513 /nfs/dbraw/zinc/03/55/13/1218035513.db2.gz CWUWYRYVPUEKHB-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001046420179 1218035514 /nfs/dbraw/zinc/03/55/14/1218035514.db2.gz CWUWYRYVPUEKHB-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3cnnn3C)CCC2(F)F)CC[N@@H+]1C ZINC001046940925 1218088849 /nfs/dbraw/zinc/08/88/49/1218088849.db2.gz DUDXPJONNBRUEP-VNHYZAJKSA-N 2 2 370.448 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3cnnn3C)CCC2(F)F)CC[N@H+]1C ZINC001046940925 1218088853 /nfs/dbraw/zinc/08/88/53/1218088853.db2.gz DUDXPJONNBRUEP-VNHYZAJKSA-N 2 2 370.448 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](Cc3cnnn3C)CCC2(F)F)CC[NH+]1C ZINC001046940925 1218088862 /nfs/dbraw/zinc/08/88/62/1218088862.db2.gz DUDXPJONNBRUEP-VNHYZAJKSA-N 2 2 370.448 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3cnnn3C)CCC2(F)F)CC[NH+]1C ZINC001046940925 1218088867 /nfs/dbraw/zinc/08/88/67/1218088867.db2.gz DUDXPJONNBRUEP-VNHYZAJKSA-N 2 2 370.448 0.729 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001096350548 1218260398 /nfs/dbraw/zinc/26/03/98/1218260398.db2.gz OMHGUBKDDFUVIH-PVAVHDDUSA-N 2 2 355.442 0.583 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001096350548 1218260403 /nfs/dbraw/zinc/26/04/03/1218260403.db2.gz OMHGUBKDDFUVIH-PVAVHDDUSA-N 2 2 355.442 0.583 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001096363695 1218267399 /nfs/dbraw/zinc/26/73/99/1218267399.db2.gz CFBHLCAETLIABF-NQZOLGFYSA-N 2 2 357.458 0.761 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001096363695 1218267403 /nfs/dbraw/zinc/26/74/03/1218267403.db2.gz CFBHLCAETLIABF-NQZOLGFYSA-N 2 2 357.458 0.761 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001096364046 1218267443 /nfs/dbraw/zinc/26/74/43/1218267443.db2.gz HXWZEHZPWCEOCH-KMFMINBZSA-N 2 2 357.458 0.715 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001096364046 1218267446 /nfs/dbraw/zinc/26/74/46/1218267446.db2.gz HXWZEHZPWCEOCH-KMFMINBZSA-N 2 2 357.458 0.715 20 0 FCADLP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048827034 1218322529 /nfs/dbraw/zinc/32/25/29/1218322529.db2.gz SOEPSQUMDMYDKZ-WCXIOVBPSA-N 2 2 371.485 0.290 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048827034 1218322535 /nfs/dbraw/zinc/32/25/35/1218322535.db2.gz SOEPSQUMDMYDKZ-WCXIOVBPSA-N 2 2 371.485 0.290 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nc(N(C)C)no4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829557 1218324830 /nfs/dbraw/zinc/32/48/30/1218324830.db2.gz SYHAERMYMFEMKD-APIJFGDWSA-N 2 2 362.478 0.366 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nc(N(C)C)no4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829557 1218324836 /nfs/dbraw/zinc/32/48/36/1218324836.db2.gz SYHAERMYMFEMKD-APIJFGDWSA-N 2 2 362.478 0.366 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(N(C)C)no4)C[C@@H]3C2)CC[NH+]1C ZINC001048829557 1218324840 /nfs/dbraw/zinc/32/48/40/1218324840.db2.gz SYHAERMYMFEMKD-APIJFGDWSA-N 2 2 362.478 0.366 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nc(N(C)C)no4)C[C@@H]3C2)CC[NH+]1C ZINC001048829557 1218324848 /nfs/dbraw/zinc/32/48/48/1218324848.db2.gz SYHAERMYMFEMKD-APIJFGDWSA-N 2 2 362.478 0.366 20 0 FCADLP Cc1cnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)nc1 ZINC001048890405 1218336272 /nfs/dbraw/zinc/33/62/72/1218336272.db2.gz GONCRBMCBPKLAB-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP Cc1cnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)nc1 ZINC001048890405 1218336279 /nfs/dbraw/zinc/33/62/79/1218336279.db2.gz GONCRBMCBPKLAB-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)nc1 ZINC001048890405 1218336285 /nfs/dbraw/zinc/33/62/85/1218336285.db2.gz GONCRBMCBPKLAB-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)nc1 ZINC001048890405 1218336294 /nfs/dbraw/zinc/33/62/94/1218336294.db2.gz GONCRBMCBPKLAB-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048891955 1218336722 /nfs/dbraw/zinc/33/67/22/1218336722.db2.gz XSDKRQGWYODSKF-XLMAVXFVSA-N 2 2 361.490 0.512 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048891955 1218336727 /nfs/dbraw/zinc/33/67/27/1218336727.db2.gz XSDKRQGWYODSKF-XLMAVXFVSA-N 2 2 361.490 0.512 20 0 FCADLP CCn1ccc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048891955 1218336730 /nfs/dbraw/zinc/33/67/30/1218336730.db2.gz XSDKRQGWYODSKF-XLMAVXFVSA-N 2 2 361.490 0.512 20 0 FCADLP CCn1ccc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048891955 1218336737 /nfs/dbraw/zinc/33/67/37/1218336737.db2.gz XSDKRQGWYODSKF-XLMAVXFVSA-N 2 2 361.490 0.512 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068218 1218374615 /nfs/dbraw/zinc/37/46/15/1218374615.db2.gz NTJUPZUUANMVRL-AZGDMVHKSA-N 2 2 371.485 0.581 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068218 1218374621 /nfs/dbraw/zinc/37/46/21/1218374621.db2.gz NTJUPZUUANMVRL-AZGDMVHKSA-N 2 2 371.485 0.581 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)C1=O ZINC001049068200 1218375109 /nfs/dbraw/zinc/37/51/09/1218375109.db2.gz MUUBPCAWQCLBTM-JJTUDDRGSA-N 2 2 371.485 0.535 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)C1=O ZINC001049068200 1218375111 /nfs/dbraw/zinc/37/51/11/1218375111.db2.gz MUUBPCAWQCLBTM-JJTUDDRGSA-N 2 2 371.485 0.535 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547214 1218482823 /nfs/dbraw/zinc/48/28/23/1218482823.db2.gz BTNFUPXJGZZULO-MWQQHZPXSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547214 1218482827 /nfs/dbraw/zinc/48/28/27/1218482827.db2.gz BTNFUPXJGZZULO-MWQQHZPXSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnnn2C)O1 ZINC001049547214 1218482832 /nfs/dbraw/zinc/48/28/32/1218482832.db2.gz BTNFUPXJGZZULO-MWQQHZPXSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cnnn2C)O1 ZINC001049547214 1218482842 /nfs/dbraw/zinc/48/28/42/1218482842.db2.gz BTNFUPXJGZZULO-MWQQHZPXSA-N 2 2 362.478 0.100 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001225946141 1225829040 /nfs/dbraw/zinc/82/90/40/1225829040.db2.gz CDWAERPRUGRJJS-ZIAGYGMSSA-N 2 2 371.445 0.788 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112857 1218691970 /nfs/dbraw/zinc/69/19/70/1218691970.db2.gz GSFWKNDJMBQYSY-WCVJEAGWSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112857 1218691975 /nfs/dbraw/zinc/69/19/75/1218691975.db2.gz GSFWKNDJMBQYSY-WCVJEAGWSA-N 2 2 359.474 0.747 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001097372623 1218794309 /nfs/dbraw/zinc/79/43/09/1218794309.db2.gz FEMLAIYFKUBGRI-ABFRBSLYSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001097372623 1218794318 /nfs/dbraw/zinc/79/43/18/1218794318.db2.gz FEMLAIYFKUBGRI-ABFRBSLYSA-N 2 2 355.446 0.459 20 0 FCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)C1=O ZINC001097444838 1218806509 /nfs/dbraw/zinc/80/65/09/1218806509.db2.gz KICJFTSGAHLQAY-MXASKKJJSA-N 2 2 353.426 0.900 20 0 FCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)C1=O ZINC001097444838 1218806510 /nfs/dbraw/zinc/80/65/10/1218806510.db2.gz KICJFTSGAHLQAY-MXASKKJJSA-N 2 2 353.426 0.900 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001097507930 1218813459 /nfs/dbraw/zinc/81/34/59/1218813459.db2.gz PKYQDMIALBTNMY-SIXLDLHFSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001097507930 1218813460 /nfs/dbraw/zinc/81/34/60/1218813460.db2.gz PKYQDMIALBTNMY-SIXLDLHFSA-N 2 2 366.425 0.491 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564529 1218819947 /nfs/dbraw/zinc/81/99/47/1218819947.db2.gz LONIVTKNPHNIHJ-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564529 1218819948 /nfs/dbraw/zinc/81/99/48/1218819948.db2.gz LONIVTKNPHNIHJ-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097564529 1218819950 /nfs/dbraw/zinc/81/99/50/1218819950.db2.gz LONIVTKNPHNIHJ-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097564529 1218819951 /nfs/dbraw/zinc/81/99/51/1218819951.db2.gz LONIVTKNPHNIHJ-ABQDGUAYSA-N 2 2 371.485 0.505 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097712726 1218839953 /nfs/dbraw/zinc/83/99/53/1218839953.db2.gz MLWYFYLVKCWCPK-WCXIOVBPSA-N 2 2 364.490 0.096 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC2CC2)C1 ZINC001097712726 1218839955 /nfs/dbraw/zinc/83/99/55/1218839955.db2.gz MLWYFYLVKCWCPK-WCXIOVBPSA-N 2 2 364.490 0.096 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)C1 ZINC001097712726 1218839956 /nfs/dbraw/zinc/83/99/56/1218839956.db2.gz MLWYFYLVKCWCPK-WCXIOVBPSA-N 2 2 364.490 0.096 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)C1 ZINC001097712726 1218839957 /nfs/dbraw/zinc/83/99/57/1218839957.db2.gz MLWYFYLVKCWCPK-WCXIOVBPSA-N 2 2 364.490 0.096 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N1CCC1)CC2 ZINC001097726130 1218841066 /nfs/dbraw/zinc/84/10/66/1218841066.db2.gz LBXAZUMRPBXDNW-IDCNUPLLSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N1CCC1)CC2 ZINC001097726130 1218841068 /nfs/dbraw/zinc/84/10/68/1218841068.db2.gz LBXAZUMRPBXDNW-IDCNUPLLSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N(C)C)CC2 ZINC001097736659 1218842063 /nfs/dbraw/zinc/84/20/63/1218842063.db2.gz GNTOAAFGMBOMGB-SRABZTEZSA-N 2 2 359.474 0.564 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N(C)C)CC2 ZINC001097736659 1218842065 /nfs/dbraw/zinc/84/20/65/1218842065.db2.gz GNTOAAFGMBOMGB-SRABZTEZSA-N 2 2 359.474 0.564 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001097734472 1218842306 /nfs/dbraw/zinc/84/23/06/1218842306.db2.gz MZBOJHDOTDQFJF-KBXIAJHMSA-N 2 2 374.441 0.482 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001097734472 1218842307 /nfs/dbraw/zinc/84/23/07/1218842307.db2.gz MZBOJHDOTDQFJF-KBXIAJHMSA-N 2 2 374.441 0.482 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001052917728 1218867700 /nfs/dbraw/zinc/86/77/00/1218867700.db2.gz XXZFESOQLBELTF-MGPQQGTHSA-N 2 2 357.462 0.504 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001052917728 1218867701 /nfs/dbraw/zinc/86/77/01/1218867701.db2.gz XXZFESOQLBELTF-MGPQQGTHSA-N 2 2 357.462 0.504 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)O1 ZINC001053304512 1218879412 /nfs/dbraw/zinc/87/94/12/1218879412.db2.gz IYRXPNGDIJXMBV-BRWVUGGUSA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCOC4)C3)C2)O1 ZINC001053304512 1218879413 /nfs/dbraw/zinc/87/94/13/1218879413.db2.gz IYRXPNGDIJXMBV-BRWVUGGUSA-N 2 2 367.490 0.045 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(CN(Cc4c[nH+]cn4C)C3)C2)CC[N@@H+]1C ZINC001053808024 1218892503 /nfs/dbraw/zinc/89/25/03/1218892503.db2.gz VNSRKEALXLOQLI-HYVNUMGLSA-N 2 2 361.490 0.610 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2COC3(CN(Cc4c[nH+]cn4C)C3)C2)CC[N@H+]1C ZINC001053808024 1218892506 /nfs/dbraw/zinc/89/25/06/1218892506.db2.gz VNSRKEALXLOQLI-HYVNUMGLSA-N 2 2 361.490 0.610 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)[C@@H](c2ccccc2)C1 ZINC001053934113 1218896943 /nfs/dbraw/zinc/89/69/43/1218896943.db2.gz DQPXMFFTFZFBIP-KSZLIROESA-N 2 2 359.470 0.284 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)[C@@H](c2ccccc2)C1 ZINC001053934113 1218896944 /nfs/dbraw/zinc/89/69/44/1218896944.db2.gz DQPXMFFTFZFBIP-KSZLIROESA-N 2 2 359.470 0.284 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4nnnn4C)C3)C2)CC[N@@H+]1C ZINC001054134930 1218898886 /nfs/dbraw/zinc/89/88/86/1218898886.db2.gz PXGMEXGJTRCFIT-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4nnnn4C)C3)C2)CC[N@H+]1C ZINC001054134930 1218898887 /nfs/dbraw/zinc/89/88/87/1218898887.db2.gz PXGMEXGJTRCFIT-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](Cc4nnnn4C)C3)C2)CC[NH+]1C ZINC001054134930 1218898888 /nfs/dbraw/zinc/89/88/88/1218898888.db2.gz PXGMEXGJTRCFIT-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4nnnn4C)C3)C2)CC[NH+]1C ZINC001054134930 1218898891 /nfs/dbraw/zinc/89/88/91/1218898891.db2.gz PXGMEXGJTRCFIT-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)[nH+]1 ZINC001054405991 1218917571 /nfs/dbraw/zinc/91/75/71/1218917571.db2.gz AJKVHAPLIPSCCC-UKRRQHHQSA-N 2 2 361.494 0.848 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001055064184 1218986296 /nfs/dbraw/zinc/98/62/96/1218986296.db2.gz KFSXHIGYUYYZIF-XRGAULLZSA-N 2 2 369.473 0.931 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001055064184 1218986301 /nfs/dbraw/zinc/98/63/01/1218986301.db2.gz KFSXHIGYUYYZIF-XRGAULLZSA-N 2 2 369.473 0.931 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055195278 1219012316 /nfs/dbraw/zinc/01/23/16/1219012316.db2.gz VVBMUNWOGMVWJH-XRGAULLZSA-N 2 2 369.473 0.931 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2[nH+]cnc3c2cnn3C)C1 ZINC001055195278 1219012320 /nfs/dbraw/zinc/01/23/20/1219012320.db2.gz VVBMUNWOGMVWJH-XRGAULLZSA-N 2 2 369.473 0.931 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055342252 1219030314 /nfs/dbraw/zinc/03/03/14/1219030314.db2.gz XIBZSTWVRACUPY-DTDBQYNISA-N 2 2 370.501 0.642 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[NH+](C)CC3)C1 ZINC001055342252 1219030315 /nfs/dbraw/zinc/03/03/15/1219030315.db2.gz XIBZSTWVRACUPY-DTDBQYNISA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001055342252 1219030319 /nfs/dbraw/zinc/03/03/19/1219030319.db2.gz XIBZSTWVRACUPY-DTDBQYNISA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001055342252 1219030321 /nfs/dbraw/zinc/03/03/21/1219030321.db2.gz XIBZSTWVRACUPY-DTDBQYNISA-N 2 2 370.501 0.642 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001055385000 1219039295 /nfs/dbraw/zinc/03/92/95/1219039295.db2.gz JMOJWHPDLSNWCX-QKPAOTATSA-N 2 2 359.474 0.772 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001055385000 1219039299 /nfs/dbraw/zinc/03/92/99/1219039299.db2.gz JMOJWHPDLSNWCX-QKPAOTATSA-N 2 2 359.474 0.772 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CCC3)CC2)O1 ZINC001055595061 1219093996 /nfs/dbraw/zinc/09/39/96/1219093996.db2.gz OAXRBAFCPSIDLC-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C3CCC3)CC2)O1 ZINC001055595061 1219094001 /nfs/dbraw/zinc/09/40/01/1219094001.db2.gz OAXRBAFCPSIDLC-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1)NC1CC1 ZINC001227128212 1225864385 /nfs/dbraw/zinc/86/43/85/1225864385.db2.gz QGPRRFGUTYSJBO-IAOVAPTHSA-N 2 2 359.474 0.741 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804054308 1219109036 /nfs/dbraw/zinc/10/90/36/1219109036.db2.gz REDDYQDUPHBKEW-JFIYKMOQSA-N 2 2 372.469 0.269 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804054308 1219109038 /nfs/dbraw/zinc/10/90/38/1219109038.db2.gz REDDYQDUPHBKEW-JFIYKMOQSA-N 2 2 372.469 0.269 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804054308 1219109043 /nfs/dbraw/zinc/10/90/43/1219109043.db2.gz REDDYQDUPHBKEW-JFIYKMOQSA-N 2 2 372.469 0.269 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804054310 1219109414 /nfs/dbraw/zinc/10/94/14/1219109414.db2.gz REDDYQDUPHBKEW-SOLBZPMBSA-N 2 2 372.469 0.269 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804054310 1219109418 /nfs/dbraw/zinc/10/94/18/1219109418.db2.gz REDDYQDUPHBKEW-SOLBZPMBSA-N 2 2 372.469 0.269 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804054310 1219109420 /nfs/dbraw/zinc/10/94/20/1219109420.db2.gz REDDYQDUPHBKEW-SOLBZPMBSA-N 2 2 372.469 0.269 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113053 1219118223 /nfs/dbraw/zinc/11/82/23/1219118223.db2.gz FLZLPRXNZLQNPQ-OAGGEKHMSA-N 2 2 354.414 0.348 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113053 1219118228 /nfs/dbraw/zinc/11/82/28/1219118228.db2.gz FLZLPRXNZLQNPQ-OAGGEKHMSA-N 2 2 354.414 0.348 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070095131 1219165875 /nfs/dbraw/zinc/16/58/75/1219165875.db2.gz XGUQXAZQVFXUIP-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070095131 1219165879 /nfs/dbraw/zinc/16/58/79/1219165879.db2.gz XGUQXAZQVFXUIP-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001070109394 1219184240 /nfs/dbraw/zinc/18/42/40/1219184240.db2.gz VFEJCOBDOXPKQC-CVEARBPZSA-N 2 2 359.434 0.085 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001070109394 1219184243 /nfs/dbraw/zinc/18/42/43/1219184243.db2.gz VFEJCOBDOXPKQC-CVEARBPZSA-N 2 2 359.434 0.085 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070109307 1219184268 /nfs/dbraw/zinc/18/42/68/1219184268.db2.gz QHQJHWYIFDPUDD-XHSDSOJGSA-N 2 2 359.434 0.085 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070109307 1219184275 /nfs/dbraw/zinc/18/42/75/1219184275.db2.gz QHQJHWYIFDPUDD-XHSDSOJGSA-N 2 2 359.434 0.085 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070213657 1219297120 /nfs/dbraw/zinc/29/71/20/1219297120.db2.gz SDGCKJNOOQIXPK-PMPSAXMXSA-N 2 2 361.450 0.394 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001070222008 1219303381 /nfs/dbraw/zinc/30/33/81/1219303381.db2.gz CALOAOMMOCEOBA-OIISXLGYSA-N 2 2 357.462 0.735 20 0 FCADLP COc1cnc(C[N@@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001277237913 1225884120 /nfs/dbraw/zinc/88/41/20/1225884120.db2.gz DKYQYLYFVAJMQF-SFHVURJKSA-N 2 2 356.430 0.843 20 0 FCADLP COc1cnc(C[N@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001277237913 1225884125 /nfs/dbraw/zinc/88/41/25/1225884125.db2.gz DKYQYLYFVAJMQF-SFHVURJKSA-N 2 2 356.430 0.843 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070258061 1219327305 /nfs/dbraw/zinc/32/73/05/1219327305.db2.gz CHAGXCMPOUAGFA-IXDOHACOSA-N 2 2 362.478 0.283 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070258061 1219327311 /nfs/dbraw/zinc/32/73/11/1219327311.db2.gz CHAGXCMPOUAGFA-IXDOHACOSA-N 2 2 362.478 0.283 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070272567 1219341017 /nfs/dbraw/zinc/34/10/17/1219341017.db2.gz SSWVQQHTQOVCTP-BMFZPTHFSA-N 2 2 355.446 0.873 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C1)C2 ZINC001070275215 1219342830 /nfs/dbraw/zinc/34/28/30/1219342830.db2.gz AESDLSKDHCLOFM-IMJJTQAJSA-N 2 2 361.425 0.357 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276756 1219344176 /nfs/dbraw/zinc/34/41/76/1219344176.db2.gz YQYZVLOAVXVQKC-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070282554 1219346939 /nfs/dbraw/zinc/34/69/39/1219346939.db2.gz LBFBBXMAIJFSEH-ANQUJSFKSA-N 2 2 355.446 0.567 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070284776 1219349735 /nfs/dbraw/zinc/34/97/35/1219349735.db2.gz UHFKPFWFQGIBID-CVEARBPZSA-N 2 2 352.402 0.181 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001070284872 1219350022 /nfs/dbraw/zinc/35/00/22/1219350022.db2.gz ZAOUAAFMFZIMCF-SJORKVTESA-N 2 2 369.404 0.925 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1n1ccnn1 ZINC001070310139 1219367605 /nfs/dbraw/zinc/36/76/05/1219367605.db2.gz QCJQFGATQGMJRL-CVEARBPZSA-N 2 2 352.402 0.534 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2n2ccnn2)co1 ZINC001070312509 1219369336 /nfs/dbraw/zinc/36/93/36/1219369336.db2.gz VXLDUIXTKXZBQJ-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070319744 1219373225 /nfs/dbraw/zinc/37/32/25/1219373225.db2.gz DMMKFPHRTCSJPY-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001227840052 1225888093 /nfs/dbraw/zinc/88/80/93/1225888093.db2.gz WBXWIYCEBJRFND-HUUCEWRRSA-N 2 2 371.445 0.719 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839739 1225888237 /nfs/dbraw/zinc/88/82/37/1225888237.db2.gz GJHJEFUBXKIAGT-HZPDHXFCSA-N 2 2 364.494 0.998 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070375030 1219403415 /nfs/dbraw/zinc/40/34/15/1219403415.db2.gz LKFCXJHHTMOBBG-QAPCUYQASA-N 2 2 365.453 0.636 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC001070504208 1219443181 /nfs/dbraw/zinc/44/31/81/1219443181.db2.gz IVILKSNQNBCSEB-GOEBONIOSA-N 2 2 360.462 0.237 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2cncs2)c1 ZINC001070570291 1219474036 /nfs/dbraw/zinc/47/40/36/1219474036.db2.gz GRUNFYWZUZUZSS-GOEBONIOSA-N 2 2 371.470 0.858 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)n2)O1 ZINC001070575782 1219476820 /nfs/dbraw/zinc/47/68/20/1219476820.db2.gz NZFVYPVBRAMTJS-KYEXWDHISA-N 2 2 373.461 0.788 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001070927299 1219584575 /nfs/dbraw/zinc/58/45/75/1219584575.db2.gz WLBIBSBTQLHIHN-XHSDSOJGSA-N 2 2 359.430 0.399 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070927299 1219584578 /nfs/dbraw/zinc/58/45/78/1219584578.db2.gz WLBIBSBTQLHIHN-XHSDSOJGSA-N 2 2 359.430 0.399 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001071052312 1219595084 /nfs/dbraw/zinc/59/50/84/1219595084.db2.gz QBXXXLIBBFXSRF-QEORTHHSSA-N 2 2 363.462 0.202 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1 ZINC001071091701 1219604222 /nfs/dbraw/zinc/60/42/22/1219604222.db2.gz REHRPAAJSWDGCG-YJLNNSPDSA-N 2 2 362.474 0.974 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[NH+](CCCF)CC3=O)C2)CC[N@@H+]1C ZINC001071265387 1219611924 /nfs/dbraw/zinc/61/19/24/1219611924.db2.gz GURAXANRJNANIA-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[NH+](CCCF)CC3=O)C2)CC[N@H+]1C ZINC001071265387 1219611928 /nfs/dbraw/zinc/61/19/28/1219611928.db2.gz GURAXANRJNANIA-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[N@H+](CCCF)CC3=O)C2)CC[NH+]1C ZINC001071265387 1219611931 /nfs/dbraw/zinc/61/19/31/1219611931.db2.gz GURAXANRJNANIA-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CC[N@@H+](CCCF)CC3=O)C2)CC[NH+]1C ZINC001071265387 1219611934 /nfs/dbraw/zinc/61/19/34/1219611934.db2.gz GURAXANRJNANIA-BRWVUGGUSA-N 2 2 368.497 0.821 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001071364825 1219614878 /nfs/dbraw/zinc/61/48/78/1219614878.db2.gz SNSLABSZZIOQEZ-KLHDSHLOSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001074015671 1219682962 /nfs/dbraw/zinc/68/29/62/1219682962.db2.gz JWHXHYPGWLFOFD-RBSFLKMASA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001074015671 1219682964 /nfs/dbraw/zinc/68/29/64/1219682964.db2.gz JWHXHYPGWLFOFD-RBSFLKMASA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001074015671 1219682965 /nfs/dbraw/zinc/68/29/65/1219682965.db2.gz JWHXHYPGWLFOFD-RBSFLKMASA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001074015671 1219682968 /nfs/dbraw/zinc/68/29/68/1219682968.db2.gz JWHXHYPGWLFOFD-RBSFLKMASA-N 2 2 364.494 0.262 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC1CCCC1 ZINC001098223426 1219743481 /nfs/dbraw/zinc/74/34/81/1219743481.db2.gz KXWFQWBAZOEUFE-ZACQAIPSSA-N 2 2 360.502 0.863 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC1CCCC1 ZINC001098223426 1219743484 /nfs/dbraw/zinc/74/34/84/1219743484.db2.gz KXWFQWBAZOEUFE-ZACQAIPSSA-N 2 2 360.502 0.863 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001098230245 1219745342 /nfs/dbraw/zinc/74/53/42/1219745342.db2.gz BQDRHEMGKZAJLZ-UNEWFSDZSA-N 2 2 355.446 0.774 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001098230245 1219745347 /nfs/dbraw/zinc/74/53/47/1219745347.db2.gz BQDRHEMGKZAJLZ-UNEWFSDZSA-N 2 2 355.446 0.774 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001228365370 1225915201 /nfs/dbraw/zinc/91/52/01/1225915201.db2.gz DFIKWBAVTYVNIE-HUUCEWRRSA-N 2 2 360.462 0.491 20 0 FCADLP CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482459 1219793680 /nfs/dbraw/zinc/79/36/80/1219793680.db2.gz IBRCWLNEPWONMY-DJIMGWMZSA-N 2 2 364.490 0.844 20 0 FCADLP CO[C@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482459 1219793684 /nfs/dbraw/zinc/79/36/84/1219793684.db2.gz IBRCWLNEPWONMY-DJIMGWMZSA-N 2 2 364.490 0.844 20 0 FCADLP CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482460 1219794025 /nfs/dbraw/zinc/79/40/25/1219794025.db2.gz IBRCWLNEPWONMY-USXIJHARSA-N 2 2 364.490 0.844 20 0 FCADLP CO[C@@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482460 1219794029 /nfs/dbraw/zinc/79/40/29/1219794029.db2.gz IBRCWLNEPWONMY-USXIJHARSA-N 2 2 364.490 0.844 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)ncn1 ZINC001098773234 1219823900 /nfs/dbraw/zinc/82/39/00/1219823900.db2.gz AVDMHQRGGPGYSG-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)ncn1 ZINC001098773234 1219823901 /nfs/dbraw/zinc/82/39/01/1219823901.db2.gz AVDMHQRGGPGYSG-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001098773234 1219823904 /nfs/dbraw/zinc/82/39/04/1219823904.db2.gz AVDMHQRGGPGYSG-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)ncn1 ZINC001098773234 1219823907 /nfs/dbraw/zinc/82/39/07/1219823907.db2.gz AVDMHQRGGPGYSG-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848928 1219840094 /nfs/dbraw/zinc/84/00/94/1219840094.db2.gz OPKIGMJCQQHBLY-NJSLBKSFSA-N 2 2 359.474 0.606 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098848928 1219840096 /nfs/dbraw/zinc/84/00/96/1219840096.db2.gz OPKIGMJCQQHBLY-NJSLBKSFSA-N 2 2 359.474 0.606 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001098875520 1219847529 /nfs/dbraw/zinc/84/75/29/1219847529.db2.gz RGGKUYNQMGAFAA-DOXZYTNZSA-N 2 2 359.474 0.819 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001098875520 1219847532 /nfs/dbraw/zinc/84/75/32/1219847532.db2.gz RGGKUYNQMGAFAA-DOXZYTNZSA-N 2 2 359.474 0.819 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCNC2=O)C3)no1 ZINC001098914892 1219861185 /nfs/dbraw/zinc/86/11/85/1219861185.db2.gz YDCRBRMDUATJOW-PNPHSEOMSA-N 2 2 361.446 0.209 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCNC2=O)C3)no1 ZINC001098914892 1219861187 /nfs/dbraw/zinc/86/11/87/1219861187.db2.gz YDCRBRMDUATJOW-PNPHSEOMSA-N 2 2 361.446 0.209 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)C1 ZINC001098994983 1219883868 /nfs/dbraw/zinc/88/38/68/1219883868.db2.gz UOCDLMWVHLYPKR-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)N(C)C)C3)C1 ZINC001098994983 1219883872 /nfs/dbraw/zinc/88/38/72/1219883872.db2.gz UOCDLMWVHLYPKR-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C)C3)C1 ZINC001098994983 1219883873 /nfs/dbraw/zinc/88/38/73/1219883873.db2.gz UOCDLMWVHLYPKR-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001098994983 1219883875 /nfs/dbraw/zinc/88/38/75/1219883875.db2.gz UOCDLMWVHLYPKR-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(N(C)C)[nH+]1 ZINC000750243362 1219889679 /nfs/dbraw/zinc/88/96/79/1219889679.db2.gz WJCDNCLELTXRHP-ZDUSSCGKSA-N 2 2 363.462 0.479 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N2CCC2)C3)CC1 ZINC001099093900 1219909696 /nfs/dbraw/zinc/90/96/96/1219909696.db2.gz MTUOIQKFSYDVJQ-PXNSSMCTSA-N 2 2 362.518 0.921 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N2CCC2)C3)CC1 ZINC001099093900 1219909700 /nfs/dbraw/zinc/90/97/00/1219909700.db2.gz MTUOIQKFSYDVJQ-PXNSSMCTSA-N 2 2 362.518 0.921 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001099120937 1219920456 /nfs/dbraw/zinc/92/04/56/1219920456.db2.gz MJNUIADOBYWIBD-KXBFYZLASA-N 2 2 359.474 0.556 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001099120937 1219920459 /nfs/dbraw/zinc/92/04/59/1219920459.db2.gz MJNUIADOBYWIBD-KXBFYZLASA-N 2 2 359.474 0.556 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099333362 1219970183 /nfs/dbraw/zinc/97/01/83/1219970183.db2.gz XSCHWEZAMJWUFN-CHWSQXEVSA-N 2 2 371.367 0.233 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)[nH]1 ZINC001099404205 1219983905 /nfs/dbraw/zinc/98/39/05/1219983905.db2.gz ZQMDRWBDGPLNDG-MPGHIAIKSA-N 2 2 362.478 0.162 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)[nH]1 ZINC001099404205 1219983910 /nfs/dbraw/zinc/98/39/10/1219983910.db2.gz ZQMDRWBDGPLNDG-MPGHIAIKSA-N 2 2 362.478 0.162 20 0 FCADLP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2[nH]cc[nH+]2)C3)nn1 ZINC001099426420 1219990809 /nfs/dbraw/zinc/99/08/09/1219990809.db2.gz VMSMOUXSOKBSQG-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001099425376 1219991206 /nfs/dbraw/zinc/99/12/06/1219991206.db2.gz GGCJYISULYXWCG-GUYCJALGSA-N 2 2 358.450 0.284 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099469787 1220006408 /nfs/dbraw/zinc/00/64/08/1220006408.db2.gz LEEXWVSUFRASEK-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099473119 1220007706 /nfs/dbraw/zinc/00/77/06/1220007706.db2.gz XCBZKBYVWCWRGS-BXWFABGCSA-N 2 2 359.474 0.770 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)C1=O ZINC001099540784 1220028062 /nfs/dbraw/zinc/02/80/62/1220028062.db2.gz BMABTQNRPXQJBI-BXWFABGCSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C2CC2)C1 ZINC001099541399 1220028394 /nfs/dbraw/zinc/02/83/94/1220028394.db2.gz RBCQIFGHVWVNMQ-KSSFIOAISA-N 2 2 370.461 0.623 20 0 FCADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H]1C ZINC000754510258 1220113179 /nfs/dbraw/zinc/11/31/79/1220113179.db2.gz IRXPIKKPNFBIIE-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H]1C ZINC000754510258 1220113185 /nfs/dbraw/zinc/11/31/85/1220113185.db2.gz IRXPIKKPNFBIIE-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)NCc1ccco1 ZINC001228799991 1225951301 /nfs/dbraw/zinc/95/13/01/1225951301.db2.gz DAYVAURRUDULII-HZPDHXFCSA-N 2 2 359.430 0.879 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281482 1220266347 /nfs/dbraw/zinc/26/63/47/1220266347.db2.gz PWUMEMZATCYAMS-KHYOSLBOSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281482 1220266351 /nfs/dbraw/zinc/26/63/51/1220266351.db2.gz PWUMEMZATCYAMS-KHYOSLBOSA-N 2 2 359.474 0.362 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CC1 ZINC001101404908 1220326564 /nfs/dbraw/zinc/32/65/64/1220326564.db2.gz YBVADXZOECPVLH-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CC1 ZINC001101404908 1220326568 /nfs/dbraw/zinc/32/65/68/1220326568.db2.gz YBVADXZOECPVLH-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430130 1220340398 /nfs/dbraw/zinc/34/03/98/1220340398.db2.gz QGBVQFMRDJXHOV-BEFAXECRSA-N 2 2 361.490 0.611 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430130 1220340402 /nfs/dbraw/zinc/34/04/02/1220340402.db2.gz QGBVQFMRDJXHOV-BEFAXECRSA-N 2 2 361.490 0.611 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101443245 1220347866 /nfs/dbraw/zinc/34/78/66/1220347866.db2.gz BAULWIAJZMVGEX-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101443245 1220347872 /nfs/dbraw/zinc/34/78/72/1220347872.db2.gz BAULWIAJZMVGEX-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101443245 1220347877 /nfs/dbraw/zinc/34/78/77/1220347877.db2.gz BAULWIAJZMVGEX-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001101443245 1220347883 /nfs/dbraw/zinc/34/78/83/1220347883.db2.gz BAULWIAJZMVGEX-KDOFPFPSSA-N 2 2 361.494 0.630 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928088 1220435906 /nfs/dbraw/zinc/43/59/06/1220435906.db2.gz UFYHIAQYGZNSKD-BZUAXINKSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928088 1220435910 /nfs/dbraw/zinc/43/59/10/1220435910.db2.gz UFYHIAQYGZNSKD-BZUAXINKSA-N 2 2 360.462 0.284 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102071136 1220486252 /nfs/dbraw/zinc/48/62/52/1220486252.db2.gz GDBDGNKNPHEZEL-CPUCHLNUSA-N 2 2 365.478 0.883 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102071136 1220486254 /nfs/dbraw/zinc/48/62/54/1220486254.db2.gz GDBDGNKNPHEZEL-CPUCHLNUSA-N 2 2 365.478 0.883 20 0 FCADLP 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CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368546 1220596462 /nfs/dbraw/zinc/59/64/62/1220596462.db2.gz ZMJPZXMWVXISKH-BZUAXINKSA-N 2 2 363.510 0.752 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408051 1220613222 /nfs/dbraw/zinc/61/32/22/1220613222.db2.gz WUTIRACSVRKHIX-CPUCHLNUSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408051 1220613229 /nfs/dbraw/zinc/61/32/29/1220613229.db2.gz WUTIRACSVRKHIX-CPUCHLNUSA-N 2 2 359.474 0.790 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC001102426320 1220620897 /nfs/dbraw/zinc/62/08/97/1220620897.db2.gz CIGYADDCYLGPTC-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC001102426320 1220620900 /nfs/dbraw/zinc/62/09/00/1220620900.db2.gz CIGYADDCYLGPTC-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001229110677 1225981116 /nfs/dbraw/zinc/98/11/16/1225981116.db2.gz QZRJGGQWTABCQE-HUUCEWRRSA-N 2 2 360.466 0.712 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)nn1C ZINC001102468329 1220638621 /nfs/dbraw/zinc/63/86/21/1220638621.db2.gz COYKAAAJQHQQMV-NVXWUHKLSA-N 2 2 363.506 0.635 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)nn1C ZINC001102468329 1220638625 /nfs/dbraw/zinc/63/86/25/1220638625.db2.gz COYKAAAJQHQQMV-NVXWUHKLSA-N 2 2 363.506 0.635 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102473919 1220643890 /nfs/dbraw/zinc/64/38/90/1220643890.db2.gz WMAVNWNDHVIJBM-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC001102473919 1220643894 /nfs/dbraw/zinc/64/38/94/1220643894.db2.gz WMAVNWNDHVIJBM-UKRRQHHQSA-N 2 2 365.478 0.947 20 0 FCADLP 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CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104185767 1221018612 /nfs/dbraw/zinc/01/86/12/1221018612.db2.gz NMXDBTQONJRQJC-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104185767 1221018620 /nfs/dbraw/zinc/01/86/20/1221018620.db2.gz NMXDBTQONJRQJC-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111731759 1221079874 /nfs/dbraw/zinc/07/98/74/1221079874.db2.gz LZPSQLJJIHFNOJ-DOXZYTNZSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111731759 1221079880 /nfs/dbraw/zinc/07/98/80/1221079880.db2.gz LZPSQLJJIHFNOJ-DOXZYTNZSA-N 2 2 359.474 0.934 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111773540 1221101526 /nfs/dbraw/zinc/10/15/26/1221101526.db2.gz BQQMAWXWDDSAJD-WRSAYESZSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111773540 1221101529 /nfs/dbraw/zinc/10/15/29/1221101529.db2.gz BQQMAWXWDDSAJD-WRSAYESZSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111773540 1221101530 /nfs/dbraw/zinc/10/15/30/1221101530.db2.gz BQQMAWXWDDSAJD-WRSAYESZSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111773540 1221101534 /nfs/dbraw/zinc/10/15/34/1221101534.db2.gz BQQMAWXWDDSAJD-WRSAYESZSA-N 2 2 359.430 0.118 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001111815906 1221124054 /nfs/dbraw/zinc/12/40/54/1221124054.db2.gz DHWCZRNDROBUBH-KHYOSLBOSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(C)C1=O)C2 ZINC001111815906 1221124055 /nfs/dbraw/zinc/12/40/55/1221124055.db2.gz DHWCZRNDROBUBH-KHYOSLBOSA-N 2 2 359.474 0.554 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902752 1221159363 /nfs/dbraw/zinc/15/93/63/1221159363.db2.gz PQTBKSIXVFRJNB-LPHOPBHVSA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902752 1221159364 /nfs/dbraw/zinc/15/93/64/1221159364.db2.gz PQTBKSIXVFRJNB-LPHOPBHVSA-N 2 2 366.506 0.204 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111937910 1221179126 /nfs/dbraw/zinc/17/91/26/1221179126.db2.gz BHYJVHDUAKLZAR-KXBFYZLASA-N 2 2 361.490 0.802 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111937910 1221179129 /nfs/dbraw/zinc/17/91/29/1221179129.db2.gz BHYJVHDUAKLZAR-KXBFYZLASA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939624 1221179912 /nfs/dbraw/zinc/17/99/12/1221179912.db2.gz JKPSTBAHOWAJLZ-MPGHIAIKSA-N 2 2 364.494 0.425 20 0 FCADLP C[C@@H](c1nncn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939624 1221179914 /nfs/dbraw/zinc/17/99/14/1221179914.db2.gz JKPSTBAHOWAJLZ-MPGHIAIKSA-N 2 2 364.494 0.425 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986155 1221194746 /nfs/dbraw/zinc/19/47/46/1221194746.db2.gz IGXWLURPIIKMHS-GJYPPUQNSA-N 2 2 366.506 0.062 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986155 1221194749 /nfs/dbraw/zinc/19/47/49/1221194749.db2.gz IGXWLURPIIKMHS-GJYPPUQNSA-N 2 2 366.506 0.062 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC001229692419 1226027871 /nfs/dbraw/zinc/02/78/71/1226027871.db2.gz GJUYTNWFFSYXST-IAGOWNOFSA-N 2 2 361.490 0.992 20 0 FCADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCCC2)[nH]1 ZINC001115593543 1221317530 /nfs/dbraw/zinc/31/75/30/1221317530.db2.gz NHGDNLJOIVWGQY-UKRRQHHQSA-N 2 2 364.494 0.741 20 0 FCADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCCC2)[nH]1 ZINC001115593543 1221317535 /nfs/dbraw/zinc/31/75/35/1221317535.db2.gz NHGDNLJOIVWGQY-UKRRQHHQSA-N 2 2 364.494 0.741 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074324 1221334312 /nfs/dbraw/zinc/33/43/12/1221334312.db2.gz QGZFKIADEUIDCA-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074324 1221334314 /nfs/dbraw/zinc/33/43/14/1221334314.db2.gz QGZFKIADEUIDCA-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074324 1221334318 /nfs/dbraw/zinc/33/43/18/1221334318.db2.gz QGZFKIADEUIDCA-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC001116074324 1221334321 /nfs/dbraw/zinc/33/43/21/1221334321.db2.gz QGZFKIADEUIDCA-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001116314211 1221352843 /nfs/dbraw/zinc/35/28/43/1221352843.db2.gz RDBJILXPDKPZCS-UHFFFAOYSA-N 2 2 361.446 0.376 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC001117171406 1221487238 /nfs/dbraw/zinc/48/72/38/1221487238.db2.gz YKEZIFZGLSJJJL-GDBMZVCRSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001230018535 1226045855 /nfs/dbraw/zinc/04/58/55/1226045855.db2.gz BSDPYQZFGCKCCT-HZPDHXFCSA-N 2 2 362.478 0.395 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001230149401 1226058217 /nfs/dbraw/zinc/05/82/17/1226058217.db2.gz IDVUTXFUVLLEMB-NUEKZKHPSA-N 2 2 365.478 0.863 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149852 1226059259 /nfs/dbraw/zinc/05/92/59/1226059259.db2.gz SOYQXDHYXAOXLZ-NUEKZKHPSA-N 2 2 365.478 0.863 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118107589 1221711505 /nfs/dbraw/zinc/71/15/05/1221711505.db2.gz UMPDAHDGSLKYQE-UBDQQSCGSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118107589 1221711512 /nfs/dbraw/zinc/71/15/12/1221711512.db2.gz UMPDAHDGSLKYQE-UBDQQSCGSA-N 2 2 362.518 0.918 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001118246657 1221741613 /nfs/dbraw/zinc/74/16/13/1221741613.db2.gz CWCCTZVVXYKEHV-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001118246657 1221741617 /nfs/dbraw/zinc/74/16/17/1221741617.db2.gz CWCCTZVVXYKEHV-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC001119290187 1221897119 /nfs/dbraw/zinc/89/71/19/1221897119.db2.gz QZZLPFMYXPVLKE-RDJZCZTQSA-N 2 2 360.458 0.078 20 0 FCADLP Cn1ccc(-c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)no2)n1 ZINC001120604287 1222108078 /nfs/dbraw/zinc/10/80/78/1222108078.db2.gz GZTHTECJWAVPRV-CYBMUJFWSA-N 2 2 358.446 0.973 20 0 FCADLP Cn1ccc(-c2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)no2)n1 ZINC001120604287 1222108081 /nfs/dbraw/zinc/10/80/81/1222108081.db2.gz GZTHTECJWAVPRV-CYBMUJFWSA-N 2 2 358.446 0.973 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001122121737 1222242599 /nfs/dbraw/zinc/24/25/99/1222242599.db2.gz TUPVWBLQARBVOF-SJLPKXTDSA-N 2 2 354.454 0.872 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001123632082 1222346136 /nfs/dbraw/zinc/34/61/36/1222346136.db2.gz YNWOTZWMBKSUBL-BSDSXHPESA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123632082 1222346141 /nfs/dbraw/zinc/34/61/41/1222346141.db2.gz YNWOTZWMBKSUBL-BSDSXHPESA-N 2 2 367.538 0.563 20 0 FCADLP CCc1nc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001124857058 1222389196 /nfs/dbraw/zinc/38/91/96/1222389196.db2.gz CUUHPAOSAKFZLT-RBSFLKMASA-N 2 2 365.478 0.298 20 0 FCADLP CCc1nc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001124857058 1222389202 /nfs/dbraw/zinc/38/92/02/1222389202.db2.gz CUUHPAOSAKFZLT-RBSFLKMASA-N 2 2 365.478 0.298 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC001139493268 1222552264 /nfs/dbraw/zinc/55/22/64/1222552264.db2.gz HCIJHSLJIFWIDJ-UHFFFAOYSA-N 2 2 360.458 0.854 20 0 FCADLP CNc1nccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001140043474 1222565977 /nfs/dbraw/zinc/56/59/77/1222565977.db2.gz XQUFSRMLXFVBET-UHFFFAOYSA-N 2 2 368.489 0.661 20 0 FCADLP CNc1nccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001140043474 1222565983 /nfs/dbraw/zinc/56/59/83/1222565983.db2.gz XQUFSRMLXFVBET-UHFFFAOYSA-N 2 2 368.489 0.661 20 0 FCADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](Cc2cn4c(n2)COCC4)CC3)c1 ZINC001141530975 1222693864 /nfs/dbraw/zinc/69/38/64/1222693864.db2.gz LRDCMNDJDFZXFT-UHFFFAOYSA-N 2 2 353.430 0.913 20 0 FCADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](Cc2cn4c(n2)COCC4)CC3)c1 ZINC001141530975 1222693867 /nfs/dbraw/zinc/69/38/67/1222693867.db2.gz LRDCMNDJDFZXFT-UHFFFAOYSA-N 2 2 353.430 0.913 20 0 FCADLP COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001232361024 1226148837 /nfs/dbraw/zinc/14/88/37/1226148837.db2.gz CBMGKWQZDARBNO-QGZVFWFLSA-N 2 2 374.485 0.845 20 0 FCADLP Cc1ncc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cn1 ZINC001203112650 1222740798 /nfs/dbraw/zinc/74/07/98/1222740798.db2.gz QAIMOOKUAJXVAP-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP Cc1ncc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cn1 ZINC001203112650 1222740801 /nfs/dbraw/zinc/74/08/01/1222740801.db2.gz QAIMOOKUAJXVAP-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3N)CC2)CC1 ZINC001142467922 1222829963 /nfs/dbraw/zinc/82/99/63/1222829963.db2.gz HQHVTSJRYZZNBC-UHFFFAOYSA-N 2 2 364.450 0.102 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3N)CC2)CC1 ZINC001142467922 1222829967 /nfs/dbraw/zinc/82/99/67/1222829967.db2.gz HQHVTSJRYZZNBC-UHFFFAOYSA-N 2 2 364.450 0.102 20 0 FCADLP COC1CC(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)C1 ZINC001142565052 1222835934 /nfs/dbraw/zinc/83/59/34/1222835934.db2.gz FCLNCJDXFKSXMA-UHFFFAOYSA-N 2 2 366.506 0.108 20 0 FCADLP COC1CC(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)C1 ZINC001142565052 1222835940 /nfs/dbraw/zinc/83/59/40/1222835940.db2.gz FCLNCJDXFKSXMA-UHFFFAOYSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000842194304 1222840051 /nfs/dbraw/zinc/84/00/51/1222840051.db2.gz DCGJVMFXQIPCCV-UHFFFAOYSA-N 2 2 373.501 0.660 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000842194435 1222840291 /nfs/dbraw/zinc/84/02/91/1222840291.db2.gz IZSBSLWYVSGLRC-GOSISDBHSA-N 2 2 373.501 0.787 20 0 FCADLP CN1C[C@]2(CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)nc3)C2)OCC1=O ZINC001277698549 1226161758 /nfs/dbraw/zinc/16/17/58/1226161758.db2.gz RJEIPWQMWLSLLM-IBGZPJMESA-N 2 2 359.474 0.267 20 0 FCADLP CN1C[C@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)nc3)C2)OCC1=O ZINC001277698549 1226161765 /nfs/dbraw/zinc/16/17/65/1226161765.db2.gz RJEIPWQMWLSLLM-IBGZPJMESA-N 2 2 359.474 0.267 20 0 FCADLP Cn1c[nH+]cc1CN1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001204381954 1222973767 /nfs/dbraw/zinc/97/37/67/1222973767.db2.gz DYZFKETVGMEQDC-QGZVFWFLSA-N 2 2 359.478 0.760 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cc(-n4cncn4)nc(C)[nH+]3)C[C@H]1C2 ZINC001154639585 1223013996 /nfs/dbraw/zinc/01/39/96/1223013996.db2.gz DKADKRLKJXKYFQ-NPSOMJIGSA-N 2 2 369.429 0.201 20 0 FCADLP CCc1cc(N2CCC([C@H]([NH3+])C(=O)OC)CC2)nc(N2CCOCC2)[nH+]1 ZINC001155160429 1223027513 /nfs/dbraw/zinc/02/75/13/1223027513.db2.gz UUNUBMBPQDPERW-INIZCTEOSA-N 2 2 363.462 0.592 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]cn1 ZINC001155389486 1223034316 /nfs/dbraw/zinc/03/43/16/1223034316.db2.gz HUQKJXRFCBAUND-CABCVRRESA-N 2 2 374.489 0.891 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc[nH+]1 ZINC001155389486 1223034319 /nfs/dbraw/zinc/03/43/19/1223034319.db2.gz HUQKJXRFCBAUND-CABCVRRESA-N 2 2 374.489 0.891 20 0 FCADLP C1[NH2+]CC12CCOC[C@@H]2Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001155472354 1223036119 /nfs/dbraw/zinc/03/61/19/1223036119.db2.gz RWRKIIMCNIEUGO-AWEZNQCLSA-N 2 2 359.478 0.284 20 0 FCADLP CN1c2cnc(NCC3([NH+](C)C)CC[NH+](C)CC3)nc2N2CCC[C@@H]2C1=O ZINC001156182459 1223051185 /nfs/dbraw/zinc/05/11/85/1223051185.db2.gz URGPQAIUXPIOQA-CQSZACIVSA-N 2 2 373.505 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000977803111 1248652575 /nfs/dbraw/zinc/65/25/75/1248652575.db2.gz XVYOKOXSMCKHKB-HYVNUMGLSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000977803111 1248652590 /nfs/dbraw/zinc/65/25/90/1248652590.db2.gz XVYOKOXSMCKHKB-HYVNUMGLSA-N 2 2 361.490 0.752 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)CC1 ZINC001157915383 1223083923 /nfs/dbraw/zinc/08/39/23/1223083923.db2.gz UYDGGNMDUZTUFK-UHFFFAOYSA-N 2 2 353.430 0.957 20 0 FCADLP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001158190905 1223090754 /nfs/dbraw/zinc/09/07/54/1223090754.db2.gz KTCRLPFBELABBW-AWEZNQCLSA-N 2 2 360.418 0.096 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001158256384 1223091850 /nfs/dbraw/zinc/09/18/50/1223091850.db2.gz IEXDHRVWTCCTEE-OAGGEKHMSA-N 2 2 359.474 0.528 20 0 FCADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[nH]1 ZINC001158257159 1223092155 /nfs/dbraw/zinc/09/21/55/1223092155.db2.gz RVEBATCCEBEKLQ-UKRRQHHQSA-N 2 2 357.462 0.877 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001158257222 1223092642 /nfs/dbraw/zinc/09/26/42/1223092642.db2.gz SZGLQUOTGFUVFA-OAGGEKHMSA-N 2 2 359.474 0.481 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NCc2ncn3c2C[NH2+]CCC3)[nH+]cn1 ZINC001158364170 1223095734 /nfs/dbraw/zinc/09/57/34/1223095734.db2.gz NXRIYTPRLGGJSO-CYBMUJFWSA-N 2 2 356.434 0.233 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NCc2ncn3c2C[NH2+]CCC3)nc[nH+]1 ZINC001158364170 1223095736 /nfs/dbraw/zinc/09/57/36/1223095736.db2.gz NXRIYTPRLGGJSO-CYBMUJFWSA-N 2 2 356.434 0.233 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC001158403320 1223096735 /nfs/dbraw/zinc/09/67/35/1223096735.db2.gz DXRMDCIXGAMCOH-LSDHHAIUSA-N 2 2 360.462 0.349 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC001158403320 1223096740 /nfs/dbraw/zinc/09/67/40/1223096740.db2.gz DXRMDCIXGAMCOH-LSDHHAIUSA-N 2 2 360.462 0.349 20 0 FCADLP COC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491406 1223099651 /nfs/dbraw/zinc/09/96/51/1223099651.db2.gz RBHZXVZODWKDRU-QBPKDAKJSA-N 2 2 364.490 0.844 20 0 FCADLP COC[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491406 1223099655 /nfs/dbraw/zinc/09/96/55/1223099655.db2.gz RBHZXVZODWKDRU-QBPKDAKJSA-N 2 2 364.490 0.844 20 0 FCADLP [NH3+][C@H](CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C(=O)OCc1ccccc1 ZINC001158567139 1223102283 /nfs/dbraw/zinc/10/22/83/1223102283.db2.gz DTTAHAQLSJLLCF-OWCLPIDISA-N 2 2 363.433 0.983 20 0 FCADLP CCn1nnc2c1[C@H](COC)CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001158799023 1223109736 /nfs/dbraw/zinc/10/97/36/1223109736.db2.gz LAGZCJBJTTXASV-GJZGRUSLSA-N 2 2 358.446 0.643 20 0 FCADLP CCOC[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)Cc2nn(CC3CC3)cc21 ZINC001158797925 1223110002 /nfs/dbraw/zinc/11/00/02/1223110002.db2.gz DXRXOQDMYFCKBN-RZQQEMMASA-N 2 2 373.501 0.707 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)CC2 ZINC001158890921 1223112139 /nfs/dbraw/zinc/11/21/39/1223112139.db2.gz QJGSVWKHSUSJEO-QGZVFWFLSA-N 3 2 373.501 0.462 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)CC2 ZINC001158890921 1223112141 /nfs/dbraw/zinc/11/21/41/1223112141.db2.gz QJGSVWKHSUSJEO-QGZVFWFLSA-N 3 2 373.501 0.462 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001159074405 1223116906 /nfs/dbraw/zinc/11/69/06/1223116906.db2.gz AVGUNHPLEUVFTQ-MKSNKDDYSA-N 2 2 367.490 0.629 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)C1 ZINC001159146271 1223119041 /nfs/dbraw/zinc/11/90/41/1223119041.db2.gz OBWFNLDVBVQCJS-GJYPPUQNSA-N 2 2 357.458 0.254 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159160721 1223119798 /nfs/dbraw/zinc/11/97/98/1223119798.db2.gz PLZPBXUFMWLYDJ-IUVQAAGXSA-N 2 2 360.458 0.405 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159191620 1223120077 /nfs/dbraw/zinc/12/00/77/1223120077.db2.gz IYCVQRPAZDMBRO-WMZOPIPTSA-N 3 2 363.506 0.985 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001159255724 1223122193 /nfs/dbraw/zinc/12/21/93/1223122193.db2.gz HMVWWXHSLBHRFN-XDCWJTEKSA-N 2 2 369.469 0.314 20 0 FCADLP O=C(N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159593698 1223130353 /nfs/dbraw/zinc/13/03/53/1223130353.db2.gz HLGJAVSOOJNWAH-WVSUBDOOSA-N 2 2 354.454 0.734 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)[C@H]2C ZINC001159632816 1223131256 /nfs/dbraw/zinc/13/12/56/1223131256.db2.gz AIRXYZKAGDLINJ-NXNVCVFFSA-N 3 2 360.506 0.576 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)[C@H]2C ZINC001159632816 1223131257 /nfs/dbraw/zinc/13/12/57/1223131257.db2.gz AIRXYZKAGDLINJ-NXNVCVFFSA-N 3 2 360.506 0.576 20 0 FCADLP C[C@]1(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC[NH2+]C1 ZINC001159634453 1223131926 /nfs/dbraw/zinc/13/19/26/1223131926.db2.gz YXSAHRPWZUBJHE-SFHVURJKSA-N 2 2 356.430 0.220 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159677533 1223133586 /nfs/dbraw/zinc/13/35/86/1223133586.db2.gz LJQUMLJFAUPCCG-INIZCTEOSA-N 3 2 371.485 0.088 20 0 FCADLP N[C@]1(C(=O)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)CCC[NH2+]C1 ZINC001159677672 1223133622 /nfs/dbraw/zinc/13/36/22/1223133622.db2.gz MPXDLCLZGKMYPS-LJQANCHMSA-N 2 2 359.474 0.360 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159696690 1223133815 /nfs/dbraw/zinc/13/38/15/1223133815.db2.gz GAPWTDXPMLJIAI-XLAORIBOSA-N 2 2 368.481 0.459 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)CC[NH2+]CC1 ZINC001159819219 1223137235 /nfs/dbraw/zinc/13/72/35/1223137235.db2.gz WMGCKGJXMSVREZ-CQSZACIVSA-N 2 2 364.490 0.134 20 0 FCADLP O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159970453 1223141179 /nfs/dbraw/zinc/14/11/79/1223141179.db2.gz ZRQMOVWNTQFRSU-JJUQKUTHSA-N 2 2 372.444 0.450 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]12 ZINC001159990086 1223141723 /nfs/dbraw/zinc/14/17/23/1223141723.db2.gz GHLYSLLVZHZANH-AZUAARDMSA-N 2 2 370.497 0.858 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086031 1223144710 /nfs/dbraw/zinc/14/47/10/1223144710.db2.gz QNHBGFPNWAYACK-FCEWJHQRSA-N 2 2 368.441 0.230 20 0 FCADLP CN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001160272711 1223152809 /nfs/dbraw/zinc/15/28/09/1223152809.db2.gz CDRLVSMYQQRBEC-ULQDDVLXSA-N 2 2 356.470 0.540 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336716 1223155478 /nfs/dbraw/zinc/15/54/78/1223155478.db2.gz JYWRCZQZNARYKJ-JHJVBQTASA-N 2 2 364.450 0.232 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336716 1223155481 /nfs/dbraw/zinc/15/54/81/1223155481.db2.gz JYWRCZQZNARYKJ-JHJVBQTASA-N 2 2 364.450 0.232 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160381819 1223156398 /nfs/dbraw/zinc/15/63/98/1223156398.db2.gz DUEPJWSEEOPTJB-KRWDZBQOSA-N 3 2 363.510 0.178 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160381819 1223156402 /nfs/dbraw/zinc/15/64/02/1223156402.db2.gz DUEPJWSEEOPTJB-KRWDZBQOSA-N 3 2 363.510 0.178 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160415057 1223158548 /nfs/dbraw/zinc/15/85/48/1223158548.db2.gz KIALVVCQGYNFKB-YJBOKZPZSA-N 2 2 369.429 0.115 20 0 FCADLP CCCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160467788 1223160820 /nfs/dbraw/zinc/16/08/20/1223160820.db2.gz WGLDDNYKCSXPKW-NVXWUHKLSA-N 2 2 366.506 0.370 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160467788 1223160822 /nfs/dbraw/zinc/16/08/22/1223160822.db2.gz WGLDDNYKCSXPKW-NVXWUHKLSA-N 2 2 366.506 0.370 20 0 FCADLP CCCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160467788 1223160824 /nfs/dbraw/zinc/16/08/24/1223160824.db2.gz WGLDDNYKCSXPKW-NVXWUHKLSA-N 2 2 366.506 0.370 20 0 FCADLP CCCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160467788 1223160827 /nfs/dbraw/zinc/16/08/27/1223160827.db2.gz WGLDDNYKCSXPKW-NVXWUHKLSA-N 2 2 366.506 0.370 20 0 FCADLP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160461273 1223160893 /nfs/dbraw/zinc/16/08/93/1223160893.db2.gz LWHKNOCEIGTDEK-YTQUADARSA-N 2 2 359.470 0.977 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3ncccn3)CC2)O1 ZINC001160479221 1223161753 /nfs/dbraw/zinc/16/17/53/1223161753.db2.gz UWWKHVAFSJLTKN-NVXWUHKLSA-N 2 2 359.474 0.834 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3ncccn3)CC2)O1 ZINC001160479221 1223161755 /nfs/dbraw/zinc/16/17/55/1223161755.db2.gz UWWKHVAFSJLTKN-NVXWUHKLSA-N 2 2 359.474 0.834 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](Cc3ncccn3)CC2)O1 ZINC001160479221 1223161757 /nfs/dbraw/zinc/16/17/57/1223161757.db2.gz UWWKHVAFSJLTKN-NVXWUHKLSA-N 2 2 359.474 0.834 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](Cc3ncccn3)CC2)O1 ZINC001160479221 1223161760 /nfs/dbraw/zinc/16/17/60/1223161760.db2.gz UWWKHVAFSJLTKN-NVXWUHKLSA-N 2 2 359.474 0.834 20 0 FCADLP O=C(N1CCc2[nH+]ccn2CC1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001160760272 1223171749 /nfs/dbraw/zinc/17/17/49/1223171749.db2.gz JBZUDBOSIGJNIK-OXJNMPFZSA-N 2 2 351.454 0.994 20 0 FCADLP CCOC(=O)[C@]12CN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C[C@H]1C[NH2+]CC2 ZINC001160819538 1223175823 /nfs/dbraw/zinc/17/58/23/1223175823.db2.gz RNXHNJMLONFDHV-JTDSTZFVSA-N 3 2 360.458 0.260 20 0 FCADLP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160825505 1223176262 /nfs/dbraw/zinc/17/62/62/1223176262.db2.gz ARWZSJLQDPTZKX-ZBFHGGJFSA-N 2 2 357.414 0.671 20 0 FCADLP O=C(N1CCN(c2ncc(C(F)(F)F)cn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160842413 1223176873 /nfs/dbraw/zinc/17/68/73/1223176873.db2.gz FFNUYMKFNPSZGC-NHYWBVRUSA-N 2 2 370.379 0.096 20 0 FCADLP COc1cc(C)nc(N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C2CC[NH2+]CC2)n1 ZINC001161309230 1223195151 /nfs/dbraw/zinc/19/51/51/1223195151.db2.gz NKMVNCRDKPGZGL-LBTNJELSSA-N 3 2 360.462 0.100 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001161321597 1223195657 /nfs/dbraw/zinc/19/56/57/1223195657.db2.gz LLWGSKRYKVDSQV-KCYZZUKISA-N 2 2 367.490 0.805 20 0 FCADLP O=C(N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161316442 1223196124 /nfs/dbraw/zinc/19/61/24/1223196124.db2.gz KSVGXPKBRCNUCB-LRDNONRASA-N 2 2 372.444 0.724 20 0 FCADLP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377870 1223197311 /nfs/dbraw/zinc/19/73/11/1223197311.db2.gz IZPXHXAKFJWQEX-OALUTQOASA-N 3 2 360.502 0.815 20 0 FCADLP [NH3+][C@H](C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380791 1223198059 /nfs/dbraw/zinc/19/80/59/1223198059.db2.gz VNRYHWDNAKWISX-SJORKVTESA-N 3 2 366.506 0.271 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC001161473104 1223200370 /nfs/dbraw/zinc/20/03/70/1223200370.db2.gz ULTPCNSAHZWLSS-CABCVRRESA-N 2 2 359.478 0.169 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC001161473104 1223200375 /nfs/dbraw/zinc/20/03/75/1223200375.db2.gz ULTPCNSAHZWLSS-CABCVRRESA-N 2 2 359.478 0.169 20 0 FCADLP O=C(CCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1)c1ccc(F)cc1 ZINC001161516312 1223203479 /nfs/dbraw/zinc/20/34/79/1223203479.db2.gz BPFIOXXRPVHGHB-AEFFLSMTSA-N 2 2 363.433 0.513 20 0 FCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001161667951 1223206369 /nfs/dbraw/zinc/20/63/69/1223206369.db2.gz TTXFFUDRDVKSKY-WKILWMFISA-N 3 2 360.506 0.892 20 0 FCADLP CC1(C)C[NH2+]C[C@H](CNc2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)O1 ZINC001161955695 1223209045 /nfs/dbraw/zinc/20/90/45/1223209045.db2.gz HGUCWBJUTKHCDD-CQSZACIVSA-N 2 2 361.494 0.673 20 0 FCADLP CC1(C)C[NH2+]C[C@H](CNc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)O1 ZINC001161955695 1223209049 /nfs/dbraw/zinc/20/90/49/1223209049.db2.gz HGUCWBJUTKHCDD-CQSZACIVSA-N 2 2 361.494 0.673 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)[nH+]cn2)CC1 ZINC001163162808 1223227628 /nfs/dbraw/zinc/22/76/28/1223227628.db2.gz DQDZGZGFOGHCKT-KFWWJZLASA-N 2 2 360.462 0.215 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)nc[nH+]2)CC1 ZINC001163162808 1223227632 /nfs/dbraw/zinc/22/76/32/1223227632.db2.gz DQDZGZGFOGHCKT-KFWWJZLASA-N 2 2 360.462 0.215 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1 ZINC001163280293 1223228557 /nfs/dbraw/zinc/22/85/57/1223228557.db2.gz SEZUHLMQSAHYEF-LIRRHRJNSA-N 2 2 374.489 0.749 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1 ZINC001163280293 1223228559 /nfs/dbraw/zinc/22/85/59/1223228559.db2.gz SEZUHLMQSAHYEF-LIRRHRJNSA-N 2 2 374.489 0.749 20 0 FCADLP CCOC(=O)[C@@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]1C[NH2+]CC2 ZINC001165172158 1223242933 /nfs/dbraw/zinc/24/29/33/1223242933.db2.gz HOMNPMQFGJDMKQ-JXFKEZNVSA-N 3 2 373.501 0.812 20 0 FCADLP COC(=O)[C@@H]1COCCC12CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001165160891 1223243172 /nfs/dbraw/zinc/24/31/72/1223243172.db2.gz PTQVVFKWXOAPSC-HNNXBMFYSA-N 2 2 360.458 0.849 20 0 FCADLP O=C1NCCc2[nH]c(-c3cc[nH+]c(N4C[C@H]5C[NH2+]C[C@@]5(CO)C4)c3)cc21 ZINC001165283567 1223243925 /nfs/dbraw/zinc/24/39/25/1223243925.db2.gz BEMPMAIKMLLEEN-YJYMSZOUSA-N 2 2 353.426 0.381 20 0 FCADLP c1cnc(N2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)C[C@H]32)cn1 ZINC001165732554 1223256157 /nfs/dbraw/zinc/25/61/57/1223256157.db2.gz UFQQMOHTCBUNSN-SJORKVTESA-N 2 2 367.457 0.375 20 0 FCADLP CC(=O)NCc1ncn2c1CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CCC2 ZINC001166433184 1223277667 /nfs/dbraw/zinc/27/76/67/1223277667.db2.gz CONPMTXCSGSIEY-UHFFFAOYSA-N 2 2 369.473 0.734 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1nnnn1C1CC1 ZINC001166960962 1223290599 /nfs/dbraw/zinc/29/05/99/1223290599.db2.gz LMILMYTYIVKPQW-MRVWCRGKSA-N 2 2 358.450 0.702 20 0 FCADLP CN1CCN(C2C[NH+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)CC1=O ZINC001204269653 1223301428 /nfs/dbraw/zinc/30/14/28/1223301428.db2.gz JIUNFQXZUMHSND-UHFFFAOYSA-N 2 2 360.502 0.975 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205313886 1223319583 /nfs/dbraw/zinc/31/95/83/1223319583.db2.gz JWUBZPDOIKEKGW-GDBMZVCRSA-N 2 2 359.474 0.467 20 0 FCADLP CN(C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)C1CC1 ZINC001205484577 1223327195 /nfs/dbraw/zinc/32/71/95/1223327195.db2.gz MUCFGDGFVGIXKB-HZPDHXFCSA-N 2 2 359.474 0.962 20 0 FCADLP CN(C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)C1CC1 ZINC001205484577 1223327197 /nfs/dbraw/zinc/32/71/97/1223327197.db2.gz MUCFGDGFVGIXKB-HZPDHXFCSA-N 2 2 359.474 0.962 20 0 FCADLP O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)N1CCCC1 ZINC001205487877 1223327819 /nfs/dbraw/zinc/32/78/19/1223327819.db2.gz RKKKETXDOYATJA-HZPDHXFCSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)N1CCCC1 ZINC001205487877 1223327821 /nfs/dbraw/zinc/32/78/21/1223327821.db2.gz RKKKETXDOYATJA-HZPDHXFCSA-N 2 2 359.474 0.964 20 0 FCADLP Cc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n(C)n1 ZINC001205897424 1223341473 /nfs/dbraw/zinc/34/14/73/1223341473.db2.gz RHFHWYQCEMXKMJ-UHFFFAOYSA-N 2 2 362.522 0.399 20 0 FCADLP Cc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n(C)n1 ZINC001205897424 1223341476 /nfs/dbraw/zinc/34/14/76/1223341476.db2.gz RHFHWYQCEMXKMJ-UHFFFAOYSA-N 2 2 362.522 0.399 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206585808 1223361942 /nfs/dbraw/zinc/36/19/42/1223361942.db2.gz DJTMXRKQKALNHW-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206585808 1223361943 /nfs/dbraw/zinc/36/19/43/1223361943.db2.gz DJTMXRKQKALNHW-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206585808 1223361945 /nfs/dbraw/zinc/36/19/45/1223361945.db2.gz DJTMXRKQKALNHW-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206585808 1223361946 /nfs/dbraw/zinc/36/19/46/1223361946.db2.gz DJTMXRKQKALNHW-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP CCc1nccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001207087242 1223415823 /nfs/dbraw/zinc/41/58/23/1223415823.db2.gz GPBQBPWRMAUQBX-NVXWUHKLSA-N 2 2 361.490 0.650 20 0 FCADLP CCc1nccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001207087242 1223415825 /nfs/dbraw/zinc/41/58/25/1223415825.db2.gz GPBQBPWRMAUQBX-NVXWUHKLSA-N 2 2 361.490 0.650 20 0 FCADLP CCc1nccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001207087242 1223415827 /nfs/dbraw/zinc/41/58/27/1223415827.db2.gz GPBQBPWRMAUQBX-NVXWUHKLSA-N 2 2 361.490 0.650 20 0 FCADLP CCc1nccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)n1 ZINC001207087242 1223415828 /nfs/dbraw/zinc/41/58/28/1223415828.db2.gz GPBQBPWRMAUQBX-NVXWUHKLSA-N 2 2 361.490 0.650 20 0 FCADLP Cc1nccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001207165993 1223423753 /nfs/dbraw/zinc/42/37/53/1223423753.db2.gz SKNHRDXRILCZLG-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP Cc1nccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001207165993 1223423758 /nfs/dbraw/zinc/42/37/58/1223423758.db2.gz SKNHRDXRILCZLG-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336860 1223438774 /nfs/dbraw/zinc/43/87/74/1223438774.db2.gz LCWLRTZNDIGXLJ-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336860 1223438776 /nfs/dbraw/zinc/43/87/76/1223438776.db2.gz LCWLRTZNDIGXLJ-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336860 1223438779 /nfs/dbraw/zinc/43/87/79/1223438779.db2.gz LCWLRTZNDIGXLJ-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336860 1223438782 /nfs/dbraw/zinc/43/87/82/1223438782.db2.gz LCWLRTZNDIGXLJ-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207546976 1223454378 /nfs/dbraw/zinc/45/43/78/1223454378.db2.gz HFVGJBVFSGKFDU-NXHRZFHOSA-N 2 2 356.474 0.845 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207546976 1223454385 /nfs/dbraw/zinc/45/43/85/1223454385.db2.gz HFVGJBVFSGKFDU-NXHRZFHOSA-N 2 2 356.474 0.845 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001207758283 1223477553 /nfs/dbraw/zinc/47/75/53/1223477553.db2.gz ZKHYODQRALGBNK-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001207758283 1223477554 /nfs/dbraw/zinc/47/75/54/1223477554.db2.gz ZKHYODQRALGBNK-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208051254 1223509323 /nfs/dbraw/zinc/50/93/23/1223509323.db2.gz FHTKWAKLUMMJNT-TVFCKZIOSA-N 2 2 369.506 0.339 20 0 FCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208051254 1223509330 /nfs/dbraw/zinc/50/93/30/1223509330.db2.gz FHTKWAKLUMMJNT-TVFCKZIOSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364845 1223536216 /nfs/dbraw/zinc/53/62/16/1223536216.db2.gz HURVNYXVYHHNOC-RRFJBIMHSA-N 2 2 362.478 0.801 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364845 1223536221 /nfs/dbraw/zinc/53/62/21/1223536221.db2.gz HURVNYXVYHHNOC-RRFJBIMHSA-N 2 2 362.478 0.801 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C)CC2 ZINC001208427984 1223544257 /nfs/dbraw/zinc/54/42/57/1223544257.db2.gz ISBMSBAMHLKWHN-UKPHBRMFSA-N 2 2 361.490 0.715 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C)CC2 ZINC001208427984 1223544260 /nfs/dbraw/zinc/54/42/60/1223544260.db2.gz ISBMSBAMHLKWHN-UKPHBRMFSA-N 2 2 361.490 0.715 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604848 1223562807 /nfs/dbraw/zinc/56/28/07/1223562807.db2.gz LBALZHLEUDZBSX-ZIAGYGMSSA-N 2 2 367.494 0.001 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604848 1223562808 /nfs/dbraw/zinc/56/28/08/1223562808.db2.gz LBALZHLEUDZBSX-ZIAGYGMSSA-N 2 2 367.494 0.001 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604848 1223562809 /nfs/dbraw/zinc/56/28/09/1223562809.db2.gz LBALZHLEUDZBSX-ZIAGYGMSSA-N 2 2 367.494 0.001 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604848 1223562811 /nfs/dbraw/zinc/56/28/11/1223562811.db2.gz LBALZHLEUDZBSX-ZIAGYGMSSA-N 2 2 367.494 0.001 20 0 FCADLP CC(=O)N1CCC(C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208676194 1223569244 /nfs/dbraw/zinc/56/92/44/1223569244.db2.gz UDHWIWXWWUHJCC-UHFFFAOYSA-N 2 2 357.462 0.987 20 0 FCADLP CC(=O)N1CCC(C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208676194 1223569250 /nfs/dbraw/zinc/56/92/50/1223569250.db2.gz UDHWIWXWWUHJCC-UHFFFAOYSA-N 2 2 357.462 0.987 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001209007568 1223591849 /nfs/dbraw/zinc/59/18/49/1223591849.db2.gz WFLRYTUGGAVEAV-GDBMZVCRSA-N 2 2 361.490 0.969 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001209007568 1223591853 /nfs/dbraw/zinc/59/18/53/1223591853.db2.gz WFLRYTUGGAVEAV-GDBMZVCRSA-N 2 2 361.490 0.969 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCCN(CC[NH+]3CCCC3)C2)C1=O ZINC001276612081 1223595810 /nfs/dbraw/zinc/59/58/10/1223595810.db2.gz UKIBHDYCKIKIBV-IBGZPJMESA-N 2 2 359.474 0.857 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142916 1223601048 /nfs/dbraw/zinc/60/10/48/1223601048.db2.gz YDEIWZKBYFBITI-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142916 1223601051 /nfs/dbraw/zinc/60/10/51/1223601051.db2.gz YDEIWZKBYFBITI-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142916 1223601054 /nfs/dbraw/zinc/60/10/54/1223601054.db2.gz YDEIWZKBYFBITI-RBSFLKMASA-N 2 2 367.494 0.141 20 0 FCADLP COCCCC[N@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001209216963 1223602999 /nfs/dbraw/zinc/60/29/99/1223602999.db2.gz VYJQEMOEZAENNU-UHFFFAOYSA-N 2 2 360.462 0.831 20 0 FCADLP COCCCC[N@@H+]1CCc2[nH+]cc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001209216963 1223603001 /nfs/dbraw/zinc/60/30/01/1223603001.db2.gz VYJQEMOEZAENNU-UHFFFAOYSA-N 2 2 360.462 0.831 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506640 1223626353 /nfs/dbraw/zinc/62/63/53/1223626353.db2.gz ONQDSYJDPINEMZ-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506640 1223626359 /nfs/dbraw/zinc/62/63/59/1223626359.db2.gz ONQDSYJDPINEMZ-IXDOHACOSA-N 2 2 368.522 0.306 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209768635 1223648529 /nfs/dbraw/zinc/64/85/29/1223648529.db2.gz AYNSYTGQPXPUGI-RHSMWYFYSA-N 2 2 370.457 0.796 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001209768635 1223648532 /nfs/dbraw/zinc/64/85/32/1223648532.db2.gz AYNSYTGQPXPUGI-RHSMWYFYSA-N 2 2 370.457 0.796 20 0 FCADLP Cc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209829603 1223652275 /nfs/dbraw/zinc/65/22/75/1223652275.db2.gz HSOCFOHVDDBLJD-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP Cc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209829603 1223652278 /nfs/dbraw/zinc/65/22/78/1223652278.db2.gz HSOCFOHVDDBLJD-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054208 1223722769 /nfs/dbraw/zinc/72/27/69/1223722769.db2.gz JXRDZYYFJGRLCN-HLLBOEOZSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054208 1223722773 /nfs/dbraw/zinc/72/27/73/1223722773.db2.gz JXRDZYYFJGRLCN-HLLBOEOZSA-N 2 2 364.494 0.203 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204324 1223767044 /nfs/dbraw/zinc/76/70/44/1223767044.db2.gz DDAPKUGHTYDYCI-ARFHVFGLSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204324 1223767046 /nfs/dbraw/zinc/76/70/46/1223767046.db2.gz DDAPKUGHTYDYCI-ARFHVFGLSA-N 2 2 364.490 0.983 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219106 1223770611 /nfs/dbraw/zinc/77/06/11/1223770611.db2.gz AJAGLKOLRBZLPI-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219106 1223770614 /nfs/dbraw/zinc/77/06/14/1223770614.db2.gz AJAGLKOLRBZLPI-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239593 1223775255 /nfs/dbraw/zinc/77/52/55/1223775255.db2.gz RLOBNISEIMKKFU-BRWVUGGUSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239593 1223775258 /nfs/dbraw/zinc/77/52/58/1223775258.db2.gz RLOBNISEIMKKFU-BRWVUGGUSA-N 2 2 366.462 0.284 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322874 1223784147 /nfs/dbraw/zinc/78/41/47/1223784147.db2.gz VBYYLJRQCACMAJ-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322874 1223784150 /nfs/dbraw/zinc/78/41/50/1223784150.db2.gz VBYYLJRQCACMAJ-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322874 1223784154 /nfs/dbraw/zinc/78/41/54/1223784154.db2.gz VBYYLJRQCACMAJ-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322874 1223784158 /nfs/dbraw/zinc/78/41/58/1223784158.db2.gz VBYYLJRQCACMAJ-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001213335918 1223786919 /nfs/dbraw/zinc/78/69/19/1223786919.db2.gz MXTCAAVLTLQBLT-KBAYOESNSA-N 2 2 364.490 0.994 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001213335918 1223786920 /nfs/dbraw/zinc/78/69/20/1223786920.db2.gz MXTCAAVLTLQBLT-KBAYOESNSA-N 2 2 364.490 0.994 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342196 1223788015 /nfs/dbraw/zinc/78/80/15/1223788015.db2.gz LHYQERDSUPXOKS-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342196 1223788018 /nfs/dbraw/zinc/78/80/18/1223788018.db2.gz LHYQERDSUPXOKS-ARFHVFGLSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342204 1223788295 /nfs/dbraw/zinc/78/82/95/1223788295.db2.gz LRYCTNNYTABHQI-BZUAXINKSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342204 1223788297 /nfs/dbraw/zinc/78/82/97/1223788297.db2.gz LRYCTNNYTABHQI-BZUAXINKSA-N 2 2 368.522 0.304 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701351 1223793132 /nfs/dbraw/zinc/79/31/32/1223793132.db2.gz GZXDCTIVZBLDLZ-KSSFIOAISA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701351 1223793134 /nfs/dbraw/zinc/79/31/34/1223793134.db2.gz GZXDCTIVZBLDLZ-KSSFIOAISA-N 2 2 362.430 0.676 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526549 1223810049 /nfs/dbraw/zinc/81/00/49/1223810049.db2.gz PXTNZKNHZCUVAO-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526549 1223810051 /nfs/dbraw/zinc/81/00/51/1223810051.db2.gz PXTNZKNHZCUVAO-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213576570 1223816100 /nfs/dbraw/zinc/81/61/00/1223816100.db2.gz RDZUYOJOMVYWMN-HZPDHXFCSA-N 2 2 363.462 0.019 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213596907 1223820426 /nfs/dbraw/zinc/82/04/26/1223820426.db2.gz PMNFZAILTWOIHU-HUUCEWRRSA-N 2 2 371.526 0.241 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213596907 1223820427 /nfs/dbraw/zinc/82/04/27/1223820427.db2.gz PMNFZAILTWOIHU-HUUCEWRRSA-N 2 2 371.526 0.241 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213614009 1223822598 /nfs/dbraw/zinc/82/25/98/1223822598.db2.gz IZJNADQNNLQCSV-BRWVUGGUSA-N 2 2 368.522 0.578 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213614009 1223822600 /nfs/dbraw/zinc/82/26/00/1223822600.db2.gz IZJNADQNNLQCSV-BRWVUGGUSA-N 2 2 368.522 0.578 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213671651 1223830403 /nfs/dbraw/zinc/83/04/03/1223830403.db2.gz PLFIDSPINCRMRV-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213671651 1223830404 /nfs/dbraw/zinc/83/04/04/1223830404.db2.gz PLFIDSPINCRMRV-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213671651 1223830405 /nfs/dbraw/zinc/83/04/05/1223830405.db2.gz PLFIDSPINCRMRV-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213671651 1223830406 /nfs/dbraw/zinc/83/04/06/1223830406.db2.gz PLFIDSPINCRMRV-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671644 1223830563 /nfs/dbraw/zinc/83/05/63/1223830563.db2.gz PJAGFHMNEUMYHO-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671644 1223830566 /nfs/dbraw/zinc/83/05/66/1223830566.db2.gz PJAGFHMNEUMYHO-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671644 1223830567 /nfs/dbraw/zinc/83/05/67/1223830567.db2.gz PJAGFHMNEUMYHO-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213671644 1223830568 /nfs/dbraw/zinc/83/05/68/1223830568.db2.gz PJAGFHMNEUMYHO-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213676233 1223831485 /nfs/dbraw/zinc/83/14/85/1223831485.db2.gz WUTTZXXJWFPURH-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213676233 1223831488 /nfs/dbraw/zinc/83/14/88/1223831488.db2.gz WUTTZXXJWFPURH-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213676233 1223831492 /nfs/dbraw/zinc/83/14/92/1223831492.db2.gz WUTTZXXJWFPURH-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213676233 1223831493 /nfs/dbraw/zinc/83/14/93/1223831493.db2.gz WUTTZXXJWFPURH-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276704843 1223842306 /nfs/dbraw/zinc/84/23/06/1223842306.db2.gz IAYOQOPTQHWYND-SFHVURJKSA-N 2 2 361.446 0.249 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276704843 1223842308 /nfs/dbraw/zinc/84/23/08/1223842308.db2.gz IAYOQOPTQHWYND-SFHVURJKSA-N 2 2 361.446 0.249 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860179 1223862992 /nfs/dbraw/zinc/86/29/92/1223862992.db2.gz VRGAQWIFRHBHLQ-GVDBMIGSSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860179 1223862994 /nfs/dbraw/zinc/86/29/94/1223862994.db2.gz VRGAQWIFRHBHLQ-GVDBMIGSSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863586 1223863702 /nfs/dbraw/zinc/86/37/02/1223863702.db2.gz OPYMHCZVUDHNLX-CGTJXYLNSA-N 2 2 362.474 0.365 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863586 1223863706 /nfs/dbraw/zinc/86/37/06/1223863706.db2.gz OPYMHCZVUDHNLX-CGTJXYLNSA-N 2 2 362.474 0.365 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863385 1223864157 /nfs/dbraw/zinc/86/41/57/1223864157.db2.gz LGQJOQNSWDCMMQ-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863385 1223864158 /nfs/dbraw/zinc/86/41/58/1223864158.db2.gz LGQJOQNSWDCMMQ-IAOVAPTHSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871809 1223865589 /nfs/dbraw/zinc/86/55/89/1223865589.db2.gz IACMIXQCCBNLHT-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213871809 1223865591 /nfs/dbraw/zinc/86/55/91/1223865591.db2.gz IACMIXQCCBNLHT-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921502 1223872969 /nfs/dbraw/zinc/87/29/69/1223872969.db2.gz BZUJJJWKISVGQQ-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921502 1223872972 /nfs/dbraw/zinc/87/29/72/1223872972.db2.gz BZUJJJWKISVGQQ-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927672 1223874613 /nfs/dbraw/zinc/87/46/13/1223874613.db2.gz WBRQDAXMCHDRHF-GVDBMIGSSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927672 1223874614 /nfs/dbraw/zinc/87/46/14/1223874614.db2.gz WBRQDAXMCHDRHF-GVDBMIGSSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927672 1223874617 /nfs/dbraw/zinc/87/46/17/1223874617.db2.gz WBRQDAXMCHDRHF-GVDBMIGSSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927672 1223874619 /nfs/dbraw/zinc/87/46/19/1223874619.db2.gz WBRQDAXMCHDRHF-GVDBMIGSSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929939 1223875192 /nfs/dbraw/zinc/87/51/92/1223875192.db2.gz SEWHBXHXIIPDRK-QZTJIDSGSA-N 2 2 367.465 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929939 1223875195 /nfs/dbraw/zinc/87/51/95/1223875195.db2.gz SEWHBXHXIIPDRK-QZTJIDSGSA-N 2 2 367.465 0.974 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929939 1223875196 /nfs/dbraw/zinc/87/51/96/1223875196.db2.gz SEWHBXHXIIPDRK-QZTJIDSGSA-N 2 2 367.465 0.974 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929939 1223875198 /nfs/dbraw/zinc/87/51/98/1223875198.db2.gz SEWHBXHXIIPDRK-QZTJIDSGSA-N 2 2 367.465 0.974 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814118 1223944828 /nfs/dbraw/zinc/94/48/28/1223944828.db2.gz GVIBNMOSFOBKSL-IJEWVQPXSA-N 2 2 365.478 0.320 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814118 1223944830 /nfs/dbraw/zinc/94/48/30/1223944830.db2.gz GVIBNMOSFOBKSL-IJEWVQPXSA-N 2 2 365.478 0.320 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214892668 1223952900 /nfs/dbraw/zinc/95/29/00/1223952900.db2.gz RYIKVAUNKQOUMV-DNNBLBMLSA-N 2 2 371.441 0.859 20 0 FCADLP CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)n1cc[nH+]c1 ZINC001214916509 1223955106 /nfs/dbraw/zinc/95/51/06/1223955106.db2.gz FJCRHTFVLTVODQ-MCIONIFRSA-N 2 2 364.450 0.102 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)c[nH+]1 ZINC001214946257 1223958744 /nfs/dbraw/zinc/95/87/44/1223958744.db2.gz RUQJMEXGXCKFAL-CZUORRHYSA-N 2 2 361.490 0.889 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005887 1223963342 /nfs/dbraw/zinc/96/33/42/1223963342.db2.gz KLBIWDMYRVZRCG-BZUAXINKSA-N 2 2 361.490 0.749 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005947 1223963732 /nfs/dbraw/zinc/96/37/32/1223963732.db2.gz LZFMSNUKIQNOMP-QIIPPGSGSA-N 2 2 364.490 0.923 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005947 1223963733 /nfs/dbraw/zinc/96/37/33/1223963733.db2.gz LZFMSNUKIQNOMP-QIIPPGSGSA-N 2 2 364.490 0.923 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024146 1223964708 /nfs/dbraw/zinc/96/47/08/1223964708.db2.gz GZWOIIRYDWBYFS-CZUORRHYSA-N 2 2 365.478 0.653 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024496 1223964856 /nfs/dbraw/zinc/96/48/56/1223964856.db2.gz MIDXWFLINJKAMM-CZUORRHYSA-N 2 2 365.478 0.703 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001215268959 1223986810 /nfs/dbraw/zinc/98/68/10/1223986810.db2.gz FMRCRYQFNXLEMU-RBSFLKMASA-N 2 2 371.445 0.527 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001215455774 1224000438 /nfs/dbraw/zinc/00/04/38/1224000438.db2.gz GSGPDYRAWYHKGT-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001215455774 1224000441 /nfs/dbraw/zinc/00/04/41/1224000441.db2.gz GSGPDYRAWYHKGT-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215684981 1224012542 /nfs/dbraw/zinc/01/25/42/1224012542.db2.gz LEIBCTVBOQIFAX-TZMCWYRMSA-N 2 2 364.450 0.015 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001215855807 1224021208 /nfs/dbraw/zinc/02/12/08/1224021208.db2.gz YNTGMZWSFDRCGP-JJRVBVJISA-N 2 2 361.490 0.893 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001215855807 1224021211 /nfs/dbraw/zinc/02/12/11/1224021211.db2.gz YNTGMZWSFDRCGP-JJRVBVJISA-N 2 2 361.490 0.893 20 0 FCADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)c1ccco1 ZINC001216065502 1224032461 /nfs/dbraw/zinc/03/24/61/1224032461.db2.gz QSGOUGKOLIPPJO-MGPQQGTHSA-N 2 2 359.430 0.859 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(=O)N(C)C ZINC001216184945 1224037929 /nfs/dbraw/zinc/03/79/29/1224037929.db2.gz FNMMFTQJJXSDSJ-JKIFEVAISA-N 2 2 370.457 0.794 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216570150 1224056001 /nfs/dbraw/zinc/05/60/01/1224056001.db2.gz XQLCZYHEZGFYKM-IVMMDQJWSA-N 2 2 365.478 0.238 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCn3cc[nH+]c3)C2)CC1 ZINC001277719368 1226172448 /nfs/dbraw/zinc/17/24/48/1226172448.db2.gz NARNHGQSTYNVSD-KRWDZBQOSA-N 2 2 364.490 0.985 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985492945 1248940522 /nfs/dbraw/zinc/94/05/22/1248940522.db2.gz HVVDIKIZDNAFOB-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985492945 1248940530 /nfs/dbraw/zinc/94/05/30/1248940530.db2.gz HVVDIKIZDNAFOB-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986778439 1248998004 /nfs/dbraw/zinc/99/80/04/1248998004.db2.gz ALKMLGLOBQGEHT-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986778439 1248998011 /nfs/dbraw/zinc/99/80/11/1248998011.db2.gz ALKMLGLOBQGEHT-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327762310 1265417354 /nfs/dbraw/zinc/41/73/54/1265417354.db2.gz GMBRLCACGMXSBM-OAHLLOKOSA-N 2 2 357.414 0.642 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC000988077530 1249326592 /nfs/dbraw/zinc/32/65/92/1249326592.db2.gz UGDFMKYIYJLODQ-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC000988077530 1249326604 /nfs/dbraw/zinc/32/66/04/1249326604.db2.gz UGDFMKYIYJLODQ-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000988077530 1249326612 /nfs/dbraw/zinc/32/66/12/1249326612.db2.gz UGDFMKYIYJLODQ-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP 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Cc1ncc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464122 1253853704 /nfs/dbraw/zinc/85/37/04/1253853704.db2.gz KBRNHWZMANIQNK-FHLIZLRMSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ncc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464122 1253853715 /nfs/dbraw/zinc/85/37/15/1253853715.db2.gz KBRNHWZMANIQNK-FHLIZLRMSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1ncc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464122 1253853722 /nfs/dbraw/zinc/85/37/22/1253853722.db2.gz KBRNHWZMANIQNK-FHLIZLRMSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465760 1253856943 /nfs/dbraw/zinc/85/69/43/1253856943.db2.gz YJOAEPBIWITBCK-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465760 1253856951 /nfs/dbraw/zinc/85/69/51/1253856951.db2.gz YJOAEPBIWITBCK-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465760 1253856959 /nfs/dbraw/zinc/85/69/59/1253856959.db2.gz YJOAEPBIWITBCK-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465760 1253856963 /nfs/dbraw/zinc/85/69/63/1253856963.db2.gz YJOAEPBIWITBCK-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001029742070 1253870047 /nfs/dbraw/zinc/87/00/47/1253870047.db2.gz KJQNWOAREHYXOE-IIAWOOMASA-N 2 2 361.494 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001029742070 1253870052 /nfs/dbraw/zinc/87/00/52/1253870052.db2.gz KJQNWOAREHYXOE-IIAWOOMASA-N 2 2 361.494 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001029742070 1253870057 /nfs/dbraw/zinc/87/00/57/1253870057.db2.gz KJQNWOAREHYXOE-IIAWOOMASA-N 2 2 361.494 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001029742070 1253870062 /nfs/dbraw/zinc/87/00/62/1253870062.db2.gz KJQNWOAREHYXOE-IIAWOOMASA-N 2 2 361.494 0.629 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc4nonc4c3)C2)O1 ZINC001031765835 1253894694 /nfs/dbraw/zinc/89/46/94/1253894694.db2.gz RDHBWIXURJEDKH-SJKOYZFVSA-N 2 2 359.430 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc4nonc4c3)C2)O1 ZINC001031765835 1253894708 /nfs/dbraw/zinc/89/47/08/1253894708.db2.gz RDHBWIXURJEDKH-SJKOYZFVSA-N 2 2 359.430 0.490 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC001329564249 1265782497 /nfs/dbraw/zinc/78/24/97/1265782497.db2.gz KTVDYOBFBYOREL-MRXNPFEDSA-N 2 2 357.458 0.670 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC001329564249 1265782500 /nfs/dbraw/zinc/78/25/00/1265782500.db2.gz KTVDYOBFBYOREL-MRXNPFEDSA-N 2 2 357.458 0.670 20 0 FCADLP O=C(N[C@H]1CCCC[N@@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001034320863 1253990774 /nfs/dbraw/zinc/99/07/74/1253990774.db2.gz BJQOWGFFXYWDLZ-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP O=C(N[C@H]1CCCC[N@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001034320863 1253990783 /nfs/dbraw/zinc/99/07/83/1253990783.db2.gz BJQOWGFFXYWDLZ-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4nnnn4C)C3)CC2)CC[N@@H+]1C ZINC001035187153 1254019537 /nfs/dbraw/zinc/01/95/37/1254019537.db2.gz SGSAVIWPOSRMSJ-HUUCEWRRSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC[NH+](Cc4nnnn4C)C3)CC2)CC[N@H+]1C ZINC001035187153 1254019546 /nfs/dbraw/zinc/01/95/46/1254019546.db2.gz SGSAVIWPOSRMSJ-HUUCEWRRSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@H+](Cc4nnnn4C)C3)CC2)CC[NH+]1C ZINC001035187153 1254019557 /nfs/dbraw/zinc/01/95/57/1254019557.db2.gz SGSAVIWPOSRMSJ-HUUCEWRRSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4nnnn4C)C3)CC2)CC[NH+]1C ZINC001035187153 1254019571 /nfs/dbraw/zinc/01/95/71/1254019571.db2.gz SGSAVIWPOSRMSJ-HUUCEWRRSA-N 2 2 361.494 0.365 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)CCO2)CC[N@@H+]1C ZINC001035374858 1254029635 /nfs/dbraw/zinc/02/96/35/1254029635.db2.gz DFBRPZYOOUZREJ-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCc3ccnn3C)CCO2)CC[N@H+]1C ZINC001035374858 1254029648 /nfs/dbraw/zinc/02/96/48/1254029648.db2.gz DFBRPZYOOUZREJ-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001035374858 1254029653 /nfs/dbraw/zinc/02/96/53/1254029653.db2.gz DFBRPZYOOUZREJ-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)CCO2)CC[NH+]1C ZINC001035374858 1254029662 /nfs/dbraw/zinc/02/96/62/1254029662.db2.gz DFBRPZYOOUZREJ-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCc3ccccc3)CCO2)O1 ZINC001035408398 1254036419 /nfs/dbraw/zinc/03/64/19/1254036419.db2.gz QEWXCKQUKSCWIX-NZSAHSFTSA-N 2 2 361.486 0.765 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCc3ccccc3)CCO2)O1 ZINC001035408398 1254036426 /nfs/dbraw/zinc/03/64/26/1254036426.db2.gz QEWXCKQUKSCWIX-NZSAHSFTSA-N 2 2 361.486 0.765 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCc3ccccc3)CCO2)O1 ZINC001035408398 1254036428 /nfs/dbraw/zinc/03/64/28/1254036428.db2.gz QEWXCKQUKSCWIX-NZSAHSFTSA-N 2 2 361.486 0.765 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCc3ccccc3)CCO2)O1 ZINC001035408398 1254036438 /nfs/dbraw/zinc/03/64/38/1254036438.db2.gz QEWXCKQUKSCWIX-NZSAHSFTSA-N 2 2 361.486 0.765 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035732789 1254061239 /nfs/dbraw/zinc/06/12/39/1254061239.db2.gz GVPXIAUQOQQSGA-BZUAXINKSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035732789 1254061243 /nfs/dbraw/zinc/06/12/43/1254061243.db2.gz GVPXIAUQOQQSGA-BZUAXINKSA-N 2 2 366.506 0.107 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)CC2)cc[nH+]1 ZINC001329746076 1265827450 /nfs/dbraw/zinc/82/74/50/1265827450.db2.gz MYIMGQDSDVMJKC-KXBFYZLASA-N 2 2 372.473 0.021 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061897882 1254228808 /nfs/dbraw/zinc/22/88/08/1254228808.db2.gz AYRAQVHYOIXVSH-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061897882 1254228811 /nfs/dbraw/zinc/22/88/11/1254228811.db2.gz AYRAQVHYOIXVSH-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061897882 1254228813 /nfs/dbraw/zinc/22/88/13/1254228813.db2.gz AYRAQVHYOIXVSH-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061897882 1254228816 /nfs/dbraw/zinc/22/88/16/1254228816.db2.gz AYRAQVHYOIXVSH-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@H]1O)CC2 ZINC001077583664 1254736906 /nfs/dbraw/zinc/73/69/06/1254736906.db2.gz HJWSPYBEWJKPIN-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@H]1O)CC2 ZINC001077583664 1254736913 /nfs/dbraw/zinc/73/69/13/1254736913.db2.gz HJWSPYBEWJKPIN-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@H]1O)CC2 ZINC001077584017 1254737645 /nfs/dbraw/zinc/73/76/45/1254737645.db2.gz YKMWCXLEORREAD-QXAKKESOSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@H]1O)CC2 ZINC001077584017 1254737656 /nfs/dbraw/zinc/73/76/56/1254737656.db2.gz YKMWCXLEORREAD-QXAKKESOSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675657 1254856384 /nfs/dbraw/zinc/85/63/84/1254856384.db2.gz VAHZESDQNZHJNH-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675657 1254856389 /nfs/dbraw/zinc/85/63/89/1254856389.db2.gz VAHZESDQNZHJNH-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675657 1254856399 /nfs/dbraw/zinc/85/63/99/1254856399.db2.gz VAHZESDQNZHJNH-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077675657 1254856406 /nfs/dbraw/zinc/85/64/06/1254856406.db2.gz VAHZESDQNZHJNH-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCN(Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)CC1 ZINC001330004549 1265922103 /nfs/dbraw/zinc/92/21/03/1265922103.db2.gz RVPALEYUEHXEOC-GOSISDBHSA-N 2 2 361.490 0.222 20 0 FCADLP CN1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)CC1 ZINC001330004549 1265922108 /nfs/dbraw/zinc/92/21/08/1265922108.db2.gz RVPALEYUEHXEOC-GOSISDBHSA-N 2 2 361.490 0.222 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@H]1O)C2 ZINC001077682984 1254876497 /nfs/dbraw/zinc/87/64/97/1254876497.db2.gz UFOZBKFUFBRXRX-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@H]1O)C2 ZINC001077682984 1254876515 /nfs/dbraw/zinc/87/65/15/1254876515.db2.gz UFOZBKFUFBRXRX-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@H]2O)CC1 ZINC001077779174 1254980249 /nfs/dbraw/zinc/98/02/49/1254980249.db2.gz GAMZGTFDZFQCRF-QZTJIDSGSA-N 2 2 362.474 0.945 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]2O)CC1 ZINC001077779174 1254980259 /nfs/dbraw/zinc/98/02/59/1254980259.db2.gz GAMZGTFDZFQCRF-QZTJIDSGSA-N 2 2 362.474 0.945 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077779521 1254980691 /nfs/dbraw/zinc/98/06/91/1254980691.db2.gz SEXLRJMWWUIMRJ-BMGDILEWSA-N 2 2 361.490 0.739 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077779521 1254980705 /nfs/dbraw/zinc/98/07/05/1254980705.db2.gz SEXLRJMWWUIMRJ-BMGDILEWSA-N 2 2 361.490 0.739 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)ccn1 ZINC001077779593 1254983131 /nfs/dbraw/zinc/98/31/31/1254983131.db2.gz XGJHLPZCSPAMJQ-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)ccn1 ZINC001077779593 1254983141 /nfs/dbraw/zinc/98/31/41/1254983141.db2.gz XGJHLPZCSPAMJQ-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@H]1O ZINC001078007703 1255164454 /nfs/dbraw/zinc/16/44/54/1255164454.db2.gz XODZBIRLGFTKNY-FGTMMUONSA-N 2 2 358.417 0.951 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@H]1O ZINC001078007703 1255164458 /nfs/dbraw/zinc/16/44/58/1255164458.db2.gz XODZBIRLGFTKNY-FGTMMUONSA-N 2 2 358.417 0.951 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1F ZINC001078012815 1255169159 /nfs/dbraw/zinc/16/91/59/1255169159.db2.gz BSMBCSCKBULWHM-HZPDHXFCSA-N 2 2 363.433 0.591 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1F ZINC001078012815 1255169163 /nfs/dbraw/zinc/16/91/63/1255169163.db2.gz BSMBCSCKBULWHM-HZPDHXFCSA-N 2 2 363.433 0.591 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001078180268 1255295294 /nfs/dbraw/zinc/29/52/94/1255295294.db2.gz VESSBJXUOULHOG-QZTJIDSGSA-N 2 2 359.470 0.985 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001078180268 1255295299 /nfs/dbraw/zinc/29/52/99/1255295299.db2.gz VESSBJXUOULHOG-QZTJIDSGSA-N 2 2 359.470 0.985 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209197 1255324069 /nfs/dbraw/zinc/32/40/69/1255324069.db2.gz CWLDWDLNFAKRIM-XGZFVWFJSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209197 1255324076 /nfs/dbraw/zinc/32/40/76/1255324076.db2.gz CWLDWDLNFAKRIM-XGZFVWFJSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209197 1255324085 /nfs/dbraw/zinc/32/40/85/1255324085.db2.gz CWLDWDLNFAKRIM-XGZFVWFJSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001078209197 1255324092 /nfs/dbraw/zinc/32/40/92/1255324092.db2.gz CWLDWDLNFAKRIM-XGZFVWFJSA-N 2 2 359.470 0.582 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078404377 1255408166 /nfs/dbraw/zinc/40/81/66/1255408166.db2.gz ZQXHVDCROLJHAS-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)n1 ZINC001078404377 1255408169 /nfs/dbraw/zinc/40/81/69/1255408169.db2.gz ZQXHVDCROLJHAS-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001079137942 1255451256 /nfs/dbraw/zinc/45/12/56/1255451256.db2.gz DJPDADHAOFSZKG-IPMKNSEASA-N 2 2 361.486 0.537 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001079137942 1255451260 /nfs/dbraw/zinc/45/12/60/1255451260.db2.gz DJPDADHAOFSZKG-IPMKNSEASA-N 2 2 361.486 0.537 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001079137942 1255451262 /nfs/dbraw/zinc/45/12/62/1255451262.db2.gz DJPDADHAOFSZKG-IPMKNSEASA-N 2 2 361.486 0.537 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001079137942 1255451266 /nfs/dbraw/zinc/45/12/66/1255451266.db2.gz DJPDADHAOFSZKG-IPMKNSEASA-N 2 2 361.486 0.537 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079274120 1255498769 /nfs/dbraw/zinc/49/87/69/1255498769.db2.gz HYWYSMQSHSEBOC-GVDBMIGSSA-N 2 2 369.481 0.616 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079274120 1255498773 /nfs/dbraw/zinc/49/87/73/1255498773.db2.gz HYWYSMQSHSEBOC-GVDBMIGSSA-N 2 2 369.481 0.616 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]3C)ccn12 ZINC001079698162 1255578262 /nfs/dbraw/zinc/57/82/62/1255578262.db2.gz MPDHMVBYLRULAC-CZUORRHYSA-N 2 2 370.457 0.718 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCN4CCNC4=O)C[C@H]3C)ccn12 ZINC001079698162 1255578267 /nfs/dbraw/zinc/57/82/67/1255578267.db2.gz MPDHMVBYLRULAC-CZUORRHYSA-N 2 2 370.457 0.718 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079740002 1255589312 /nfs/dbraw/zinc/58/93/12/1255589312.db2.gz SILCNSRMCGETRA-FVQBIDKESA-N 2 2 359.474 0.429 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001079740002 1255589315 /nfs/dbraw/zinc/58/93/15/1255589315.db2.gz SILCNSRMCGETRA-FVQBIDKESA-N 2 2 359.474 0.429 20 0 FCADLP CCN(C(=O)C[NH+](CC)CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001079816413 1255619135 /nfs/dbraw/zinc/61/91/35/1255619135.db2.gz DZVJZHGSZIXIRF-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079981937 1255691547 /nfs/dbraw/zinc/69/15/47/1255691547.db2.gz HURUPFNVTQKUBO-CKEIUWERSA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079981937 1255691553 /nfs/dbraw/zinc/69/15/53/1255691553.db2.gz HURUPFNVTQKUBO-CKEIUWERSA-N 2 2 359.474 0.503 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001079991802 1255698144 /nfs/dbraw/zinc/69/81/44/1255698144.db2.gz SLZKJODHSCCTBS-XOKHGSTOSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001079991802 1255698150 /nfs/dbraw/zinc/69/81/50/1255698150.db2.gz SLZKJODHSCCTBS-XOKHGSTOSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099372 1255741230 /nfs/dbraw/zinc/74/12/30/1255741230.db2.gz HFXMQOMLXNLCIJ-CXAGYDPISA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099372 1255741238 /nfs/dbraw/zinc/74/12/38/1255741238.db2.gz HFXMQOMLXNLCIJ-CXAGYDPISA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099403 1255741806 /nfs/dbraw/zinc/74/18/06/1255741806.db2.gz JEFYLSBGIJOAHW-CXAGYDPISA-N 2 2 366.429 0.646 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099403 1255741809 /nfs/dbraw/zinc/74/18/09/1255741809.db2.gz JEFYLSBGIJOAHW-CXAGYDPISA-N 2 2 366.429 0.646 20 0 FCADLP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080140615 1255757962 /nfs/dbraw/zinc/75/79/62/1255757962.db2.gz XGPFYEHZGKVNCS-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080140615 1255757967 /nfs/dbraw/zinc/75/79/67/1255757967.db2.gz XGPFYEHZGKVNCS-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080140615 1255757973 /nfs/dbraw/zinc/75/79/73/1255757973.db2.gz XGPFYEHZGKVNCS-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080140615 1255757978 /nfs/dbraw/zinc/75/79/78/1255757978.db2.gz XGPFYEHZGKVNCS-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144869 1255759675 /nfs/dbraw/zinc/75/96/75/1255759675.db2.gz XOKVOPYXCQUYJD-GDBMZVCRSA-N 2 2 357.462 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144869 1255759681 /nfs/dbraw/zinc/75/96/81/1255759681.db2.gz XOKVOPYXCQUYJD-GDBMZVCRSA-N 2 2 357.462 0.490 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001080143125 1255759763 /nfs/dbraw/zinc/75/97/63/1255759763.db2.gz WAVHVRBOKINCMR-DLBZAZTESA-N 2 2 361.490 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001080143125 1255759768 /nfs/dbraw/zinc/75/97/68/1255759768.db2.gz WAVHVRBOKINCMR-DLBZAZTESA-N 2 2 361.490 0.752 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164633 1255768358 /nfs/dbraw/zinc/76/83/58/1255768358.db2.gz KPGYZSQTTBTKGR-JLTYKUFRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164633 1255768364 /nfs/dbraw/zinc/76/83/64/1255768364.db2.gz KPGYZSQTTBTKGR-JLTYKUFRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164633 1255768369 /nfs/dbraw/zinc/76/83/69/1255768369.db2.gz KPGYZSQTTBTKGR-JLTYKUFRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164633 1255768371 /nfs/dbraw/zinc/76/83/71/1255768371.db2.gz KPGYZSQTTBTKGR-JLTYKUFRSA-N 2 2 360.458 0.783 20 0 FCADLP CCN(C(=O)CCc1[nH+]ccn1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080241410 1255797761 /nfs/dbraw/zinc/79/77/61/1255797761.db2.gz CWIJIZOLNJVJGI-GDBMZVCRSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)CCc1[nH+]ccn1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080241410 1255797763 /nfs/dbraw/zinc/79/77/63/1255797763.db2.gz CWIJIZOLNJVJGI-GDBMZVCRSA-N 2 2 361.490 0.752 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324750 1255841585 /nfs/dbraw/zinc/84/15/85/1255841585.db2.gz BCGXKRANTKGZBT-OIISXLGYSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324750 1255841599 /nfs/dbraw/zinc/84/15/99/1255841599.db2.gz BCGXKRANTKGZBT-OIISXLGYSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080324750 1255841614 /nfs/dbraw/zinc/84/16/14/1255841614.db2.gz BCGXKRANTKGZBT-OIISXLGYSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080324750 1255841629 /nfs/dbraw/zinc/84/16/29/1255841629.db2.gz BCGXKRANTKGZBT-OIISXLGYSA-N 2 2 364.494 0.344 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001080454223 1255896576 /nfs/dbraw/zinc/89/65/76/1255896576.db2.gz BFMTYFOCBQYPCH-WQVCFCJDSA-N 2 2 361.446 0.209 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001080454223 1255896579 /nfs/dbraw/zinc/89/65/79/1255896579.db2.gz BFMTYFOCBQYPCH-WQVCFCJDSA-N 2 2 361.446 0.209 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080560895 1255929994 /nfs/dbraw/zinc/92/99/94/1255929994.db2.gz FTWYLOXJNKVBAL-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080560895 1255929999 /nfs/dbraw/zinc/92/99/99/1255929999.db2.gz FTWYLOXJNKVBAL-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080560895 1255930008 /nfs/dbraw/zinc/93/00/08/1255930008.db2.gz FTWYLOXJNKVBAL-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080560895 1255930013 /nfs/dbraw/zinc/93/00/13/1255930013.db2.gz FTWYLOXJNKVBAL-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781022 1256035087 /nfs/dbraw/zinc/03/50/87/1256035087.db2.gz KTFLJESXTADCIP-QGPMSJSTSA-N 2 2 360.506 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781022 1256035093 /nfs/dbraw/zinc/03/50/93/1256035093.db2.gz KTFLJESXTADCIP-QGPMSJSTSA-N 2 2 360.506 0.966 20 0 FCADLP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080781022 1256035100 /nfs/dbraw/zinc/03/51/00/1256035100.db2.gz KTFLJESXTADCIP-QGPMSJSTSA-N 2 2 360.506 0.966 20 0 FCADLP C[C@@H]1C[NH+](Cc2cn(CC3CC3)nn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080781022 1256035106 /nfs/dbraw/zinc/03/51/06/1256035106.db2.gz KTFLJESXTADCIP-QGPMSJSTSA-N 2 2 360.506 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782452 1256035680 /nfs/dbraw/zinc/03/56/80/1256035680.db2.gz KURBZFKIEXAYEV-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782452 1256035689 /nfs/dbraw/zinc/03/56/89/1256035689.db2.gz KURBZFKIEXAYEV-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001080782607 1256037047 /nfs/dbraw/zinc/03/70/47/1256037047.db2.gz SNURLFDMEZYLTK-RDTXWAMCSA-N 2 2 369.469 0.959 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001080782607 1256037054 /nfs/dbraw/zinc/03/70/54/1256037054.db2.gz SNURLFDMEZYLTK-RDTXWAMCSA-N 2 2 369.469 0.959 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081182141 1256200169 /nfs/dbraw/zinc/20/01/69/1256200169.db2.gz GIVKZSZCGNMELX-WCXIOVBPSA-N 2 2 367.453 0.593 20 0 FCADLP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2c2ccccc2)C1=O ZINC001081205814 1256207019 /nfs/dbraw/zinc/20/70/19/1256207019.db2.gz ZHKMLPOYTLSHRJ-GVDBMIGSSA-N 2 2 367.453 0.767 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081234086 1256214748 /nfs/dbraw/zinc/21/47/48/1256214748.db2.gz UTSYCDWFRFUNBE-ZWKOTPCHSA-N 2 2 365.441 0.796 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668757 1256328500 /nfs/dbraw/zinc/32/85/00/1256328500.db2.gz UFSDTBLYRSDGKQ-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668757 1256328502 /nfs/dbraw/zinc/32/85/02/1256328502.db2.gz UFSDTBLYRSDGKQ-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799235 1256377620 /nfs/dbraw/zinc/37/76/20/1256377620.db2.gz IJIVPZPRHJFAPD-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799235 1256377624 /nfs/dbraw/zinc/37/76/24/1256377624.db2.gz IJIVPZPRHJFAPD-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799235 1256377631 /nfs/dbraw/zinc/37/76/31/1256377631.db2.gz IJIVPZPRHJFAPD-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799235 1256377641 /nfs/dbraw/zinc/37/76/41/1256377641.db2.gz IJIVPZPRHJFAPD-KBAYOESNSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799420 1256378425 /nfs/dbraw/zinc/37/84/25/1256378425.db2.gz PCTXDYYCPCVKAS-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799420 1256378429 /nfs/dbraw/zinc/37/84/29/1256378429.db2.gz PCTXDYYCPCVKAS-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799420 1256378437 /nfs/dbraw/zinc/37/84/37/1256378437.db2.gz PCTXDYYCPCVKAS-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799420 1256378444 /nfs/dbraw/zinc/37/84/44/1256378444.db2.gz PCTXDYYCPCVKAS-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081843145 1256407394 /nfs/dbraw/zinc/40/73/94/1256407394.db2.gz NXOFRSAGBRDJJO-IAGOWNOFSA-N 2 2 361.490 0.612 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900021 1256443296 /nfs/dbraw/zinc/44/32/96/1256443296.db2.gz WMJVZFUPZLQISQ-IAGOWNOFSA-N 2 2 354.414 0.697 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900021 1256443299 /nfs/dbraw/zinc/44/32/99/1256443299.db2.gz WMJVZFUPZLQISQ-IAGOWNOFSA-N 2 2 354.414 0.697 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)ccn1 ZINC001081949422 1256468912 /nfs/dbraw/zinc/46/89/12/1256468912.db2.gz OIPBDMGOLALHBN-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)ccn1 ZINC001081949422 1256468918 /nfs/dbraw/zinc/46/89/18/1256468918.db2.gz OIPBDMGOLALHBN-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057732 1256514250 /nfs/dbraw/zinc/51/42/50/1256514250.db2.gz APNDYDKYZLIORL-ZACQAIPSSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057732 1256514253 /nfs/dbraw/zinc/51/42/53/1256514253.db2.gz APNDYDKYZLIORL-ZACQAIPSSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2conc2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057732 1256514257 /nfs/dbraw/zinc/51/42/57/1256514257.db2.gz APNDYDKYZLIORL-ZACQAIPSSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2conc2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082057732 1256514261 /nfs/dbraw/zinc/51/42/61/1256514261.db2.gz APNDYDKYZLIORL-ZACQAIPSSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057768 1256514586 /nfs/dbraw/zinc/51/45/86/1256514586.db2.gz CKKFFFKTKBVCRH-KZNAEPCWSA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057768 1256514593 /nfs/dbraw/zinc/51/45/93/1256514593.db2.gz CKKFFFKTKBVCRH-KZNAEPCWSA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057768 1256514600 /nfs/dbraw/zinc/51/46/00/1256514600.db2.gz CKKFFFKTKBVCRH-KZNAEPCWSA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082057768 1256514608 /nfs/dbraw/zinc/51/46/08/1256514608.db2.gz CKKFFFKTKBVCRH-KZNAEPCWSA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066469 1256519795 /nfs/dbraw/zinc/51/97/95/1256519795.db2.gz SYJONKCRYIDVFN-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066469 1256519802 /nfs/dbraw/zinc/51/98/02/1256519802.db2.gz SYJONKCRYIDVFN-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066469 1256519809 /nfs/dbraw/zinc/51/98/09/1256519809.db2.gz SYJONKCRYIDVFN-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066469 1256519812 /nfs/dbraw/zinc/51/98/12/1256519812.db2.gz SYJONKCRYIDVFN-CWLKWCNXSA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096036 1256533326 /nfs/dbraw/zinc/53/33/26/1256533326.db2.gz VNMNQCMNCNWWMI-BRWVUGGUSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096036 1256533334 /nfs/dbraw/zinc/53/33/34/1256533334.db2.gz VNMNQCMNCNWWMI-BRWVUGGUSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138264 1256555043 /nfs/dbraw/zinc/55/50/43/1256555043.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082138264 1256555053 /nfs/dbraw/zinc/55/50/53/1256555053.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082138264 1256555058 /nfs/dbraw/zinc/55/50/58/1256555058.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082138264 1256555066 /nfs/dbraw/zinc/55/50/66/1256555066.db2.gz WNCWVQARQFVMLQ-IAGOWNOFSA-N 2 2 363.506 0.510 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202204 1256588100 /nfs/dbraw/zinc/58/81/00/1256588100.db2.gz LXVUDJTWFYSNDP-QZTJIDSGSA-N 2 2 361.490 0.832 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202204 1256588110 /nfs/dbraw/zinc/58/81/10/1256588110.db2.gz LXVUDJTWFYSNDP-QZTJIDSGSA-N 2 2 361.490 0.832 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001082241566 1256605027 /nfs/dbraw/zinc/60/50/27/1256605027.db2.gz XVFOGOHMCQFSIR-IXDOHACOSA-N 2 2 360.458 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001082241566 1256605032 /nfs/dbraw/zinc/60/50/32/1256605032.db2.gz XVFOGOHMCQFSIR-IXDOHACOSA-N 2 2 360.458 0.066 20 0 FCADLP CSC1(CNC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)CC[NH+](C)CC1 ZINC001520968615 1266054453 /nfs/dbraw/zinc/05/44/53/1266054453.db2.gz AYXSJABDMOAWBG-HNNXBMFYSA-N 2 2 357.568 0.749 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082326421 1256666898 /nfs/dbraw/zinc/66/68/98/1256666898.db2.gz CAACTXVQULIWAB-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082326421 1256666903 /nfs/dbraw/zinc/66/69/03/1256666903.db2.gz CAACTXVQULIWAB-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)n1 ZINC001082326421 1256666907 /nfs/dbraw/zinc/66/69/07/1256666907.db2.gz CAACTXVQULIWAB-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)n1 ZINC001082326421 1256666912 /nfs/dbraw/zinc/66/69/12/1256666912.db2.gz CAACTXVQULIWAB-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982035 1266055368 /nfs/dbraw/zinc/05/53/68/1266055368.db2.gz PMBMAPSILCINSI-HOJAQTOUSA-N 2 2 372.513 0.434 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982035 1266055377 /nfs/dbraw/zinc/05/53/77/1266055377.db2.gz PMBMAPSILCINSI-HOJAQTOUSA-N 2 2 372.513 0.434 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](OC)C2)cn1 ZINC001082345841 1256689742 /nfs/dbraw/zinc/68/97/42/1256689742.db2.gz DUZUZAJNWPRYSE-IAGOWNOFSA-N 2 2 360.462 0.535 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](OC)C2)cn1 ZINC001082345841 1256689748 /nfs/dbraw/zinc/68/97/48/1256689748.db2.gz DUZUZAJNWPRYSE-IAGOWNOFSA-N 2 2 360.462 0.535 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)n1 ZINC001082371344 1256721329 /nfs/dbraw/zinc/72/13/29/1256721329.db2.gz DKKKUNLFMIPHLM-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)n1 ZINC001082371344 1256721333 /nfs/dbraw/zinc/72/13/33/1256721333.db2.gz DKKKUNLFMIPHLM-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458528 1256770630 /nfs/dbraw/zinc/77/06/30/1256770630.db2.gz SOOFLFTXDIOHFZ-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001082458528 1256770637 /nfs/dbraw/zinc/77/06/37/1256770637.db2.gz SOOFLFTXDIOHFZ-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC001082459063 1256771193 /nfs/dbraw/zinc/77/11/93/1256771193.db2.gz JZHFWOJOBPRPTP-ZTFGCOKTSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC001082459063 1256771197 /nfs/dbraw/zinc/77/11/97/1256771197.db2.gz JZHFWOJOBPRPTP-ZTFGCOKTSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1nccn1C ZINC001082558238 1256854921 /nfs/dbraw/zinc/85/49/21/1256854921.db2.gz GONDJEMYMACQKD-OAGGEKHMSA-N 2 2 359.478 0.184 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C)n1 ZINC001082559366 1256858185 /nfs/dbraw/zinc/85/81/85/1256858185.db2.gz CIVMVRDNSWXWNV-MRRJBJDNSA-N 2 2 365.478 0.535 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C)n1 ZINC001082596185 1256907894 /nfs/dbraw/zinc/90/78/94/1256907894.db2.gz ZDLPSNDWHCIAIR-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C)n1 ZINC001082596185 1256907900 /nfs/dbraw/zinc/90/79/00/1256907900.db2.gz ZDLPSNDWHCIAIR-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601344 1256912490 /nfs/dbraw/zinc/91/24/90/1256912490.db2.gz WVVMIIBQPTVPFX-IJEWVQPXSA-N 2 2 357.462 0.694 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001082604249 1256914685 /nfs/dbraw/zinc/91/46/85/1256914685.db2.gz JEJLFBNRONILDO-JKIFEVAISA-N 2 2 370.457 0.881 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C)n1 ZINC001082604247 1256915275 /nfs/dbraw/zinc/91/52/75/1256915275.db2.gz JEFLZQUOIUGAOA-XOKHGSTOSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082604356 1256916115 /nfs/dbraw/zinc/91/61/15/1256916115.db2.gz MFWYLEWXEMYOFW-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082604406 1256916131 /nfs/dbraw/zinc/91/61/31/1256916131.db2.gz OAEOYLRXPLAMDZ-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1C ZINC001082604613 1256916151 /nfs/dbraw/zinc/91/61/51/1256916151.db2.gz VPOXHFYFPDOLOL-IJEWVQPXSA-N 2 2 371.489 0.773 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082647839 1256951750 /nfs/dbraw/zinc/95/17/50/1256951750.db2.gz KSVFKPIZXWDAEH-CZUORRHYSA-N 2 2 357.462 0.527 20 0 FCADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702739 1256994052 /nfs/dbraw/zinc/99/40/52/1256994052.db2.gz FXFLQAYKQDZYML-BRWVUGGUSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702739 1256994055 /nfs/dbraw/zinc/99/40/55/1256994055.db2.gz FXFLQAYKQDZYML-BRWVUGGUSA-N 2 2 363.506 0.949 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)nn1C ZINC001082703250 1256995125 /nfs/dbraw/zinc/99/51/25/1256995125.db2.gz GSHJMWXTJSNYDC-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)nn1C ZINC001082703250 1256995128 /nfs/dbraw/zinc/99/51/28/1256995128.db2.gz GSHJMWXTJSNYDC-ZTFGCOKTSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C)[nH]1 ZINC001082710491 1257003904 /nfs/dbraw/zinc/00/39/04/1257003904.db2.gz WGISVEITYPSIJK-DIOULYMOSA-N 2 2 357.462 0.817 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082733793 1257014209 /nfs/dbraw/zinc/01/42/09/1257014209.db2.gz UHBSUUHRIASXFE-IJEWVQPXSA-N 2 2 359.474 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082745807 1257027000 /nfs/dbraw/zinc/02/70/00/1257027000.db2.gz RSEXBNPKHZVZKK-MLGOLLRUSA-N 2 2 360.418 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082751565 1257032674 /nfs/dbraw/zinc/03/26/74/1257032674.db2.gz MHGBEFYTGMEAIL-MWQQHZPXSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082750275 1257033095 /nfs/dbraw/zinc/03/30/95/1257033095.db2.gz CZDKQZZFYWEXRY-KBUPBQIOSA-N 2 2 373.457 0.109 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2)no1 ZINC001082766630 1257040008 /nfs/dbraw/zinc/04/00/08/1257040008.db2.gz NIDGXDDQEANMAA-SJKOYZFVSA-N 2 2 369.429 0.977 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001082774458 1257045551 /nfs/dbraw/zinc/04/55/51/1257045551.db2.gz YTDOSBXJALHOTM-MGPQQGTHSA-N 2 2 360.466 0.728 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082807451 1257065228 /nfs/dbraw/zinc/06/52/28/1257065228.db2.gz JEVMAOKTQMIBAV-QLFBSQMISA-N 2 2 365.478 0.852 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001082851963 1257104420 /nfs/dbraw/zinc/10/44/20/1257104420.db2.gz LUQKWXBNRKHGTK-BZUAXINKSA-N 2 2 363.510 0.801 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001082851963 1257104423 /nfs/dbraw/zinc/10/44/23/1257104423.db2.gz LUQKWXBNRKHGTK-BZUAXINKSA-N 2 2 363.510 0.801 20 0 FCADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001082861008 1257112042 /nfs/dbraw/zinc/11/20/42/1257112042.db2.gz AKDQCPTXNYRGSF-CZUORRHYSA-N 2 2 359.478 0.909 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC(C)CC2)C1 ZINC001082884808 1257123419 /nfs/dbraw/zinc/12/34/19/1257123419.db2.gz HKDRDNNAXHPCTR-RHSMWYFYSA-N 2 2 361.490 0.956 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923526 1257148453 /nfs/dbraw/zinc/14/84/53/1257148453.db2.gz NIQPFYKAFBLPDK-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)C1 ZINC001082933945 1257154550 /nfs/dbraw/zinc/15/45/50/1257154550.db2.gz PZTOIHTXQDSKKQ-RBSFLKMASA-N 2 2 364.494 0.585 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)C1 ZINC001082933945 1257154554 /nfs/dbraw/zinc/15/45/54/1257154554.db2.gz PZTOIHTXQDSKKQ-RBSFLKMASA-N 2 2 364.494 0.585 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)C1 ZINC001082933884 1257154584 /nfs/dbraw/zinc/15/45/84/1257154584.db2.gz NMSQQMFOSIXERV-DJIMGWMZSA-N 2 2 364.494 0.516 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)C1 ZINC001082933884 1257154585 /nfs/dbraw/zinc/15/45/85/1257154585.db2.gz NMSQQMFOSIXERV-DJIMGWMZSA-N 2 2 364.494 0.516 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC001082958031 1257167849 /nfs/dbraw/zinc/16/78/49/1257167849.db2.gz VZDZTGXLHFMSPW-UKRRQHHQSA-N 2 2 369.425 0.965 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)on1 ZINC001083083954 1257284202 /nfs/dbraw/zinc/28/42/02/1257284202.db2.gz SOUHUYJVKOLATA-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@H]3C2)on1 ZINC001083083954 1257284209 /nfs/dbraw/zinc/28/42/09/1257284209.db2.gz SOUHUYJVKOLATA-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21)[NH+](C)C ZINC001083119500 1257351565 /nfs/dbraw/zinc/35/15/65/1257351565.db2.gz XCRBFYNPMHVVOU-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21)[NH+](C)C ZINC001083119500 1257351575 /nfs/dbraw/zinc/35/15/75/1257351575.db2.gz XCRBFYNPMHVVOU-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c[nH+]1 ZINC001330876675 1266110598 /nfs/dbraw/zinc/11/05/98/1266110598.db2.gz NDLULTZDXKDAOK-HOTGVXAUSA-N 2 2 374.489 0.673 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001083151578 1257407248 /nfs/dbraw/zinc/40/72/48/1257407248.db2.gz GMFNNQLPNTYQPQ-YESZJQIVSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001083151578 1257407253 /nfs/dbraw/zinc/40/72/53/1257407253.db2.gz GMFNNQLPNTYQPQ-YESZJQIVSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168621 1257426918 /nfs/dbraw/zinc/42/69/18/1257426918.db2.gz DKVKEZNKOWCQEP-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168621 1257426928 /nfs/dbraw/zinc/42/69/28/1257426928.db2.gz DKVKEZNKOWCQEP-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083168621 1257426932 /nfs/dbraw/zinc/42/69/32/1257426932.db2.gz DKVKEZNKOWCQEP-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001083168621 1257426934 /nfs/dbraw/zinc/42/69/34/1257426934.db2.gz DKVKEZNKOWCQEP-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)n1 ZINC001083888030 1257660915 /nfs/dbraw/zinc/66/09/15/1257660915.db2.gz XFDJAKOZHBDTKJ-MSOLQXFVSA-N 2 2 363.506 0.393 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)n1 ZINC001083888030 1257660925 /nfs/dbraw/zinc/66/09/25/1257660925.db2.gz XFDJAKOZHBDTKJ-MSOLQXFVSA-N 2 2 363.506 0.393 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1C ZINC001083954414 1257741415 /nfs/dbraw/zinc/74/14/15/1257741415.db2.gz YXMOBPWLYVQLNH-SJORKVTESA-N 2 2 358.442 0.641 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1C ZINC001083954414 1257741420 /nfs/dbraw/zinc/74/14/20/1257741420.db2.gz YXMOBPWLYVQLNH-SJORKVTESA-N 2 2 358.442 0.641 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001083954041 1257742686 /nfs/dbraw/zinc/74/26/86/1257742686.db2.gz IEPMDBCDPDTHMP-MSOLQXFVSA-N 2 2 353.426 0.805 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1O ZINC001083954041 1257742691 /nfs/dbraw/zinc/74/26/91/1257742691.db2.gz IEPMDBCDPDTHMP-MSOLQXFVSA-N 2 2 353.426 0.805 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959567 1257749383 /nfs/dbraw/zinc/74/93/83/1257749383.db2.gz YWAAFPWVJGVABH-SJORKVTESA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959567 1257749388 /nfs/dbraw/zinc/74/93/88/1257749388.db2.gz YWAAFPWVJGVABH-SJORKVTESA-N 2 2 361.490 0.530 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084115336 1257933744 /nfs/dbraw/zinc/93/37/44/1257933744.db2.gz IRTHIXGLPWEMCP-SJORKVTESA-N 2 2 360.414 0.132 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084115336 1257933750 /nfs/dbraw/zinc/93/37/50/1257933750.db2.gz IRTHIXGLPWEMCP-SJORKVTESA-N 2 2 360.414 0.132 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084522917 1258149811 /nfs/dbraw/zinc/14/98/11/1258149811.db2.gz OLQHMJZHDKVVLN-BRWVUGGUSA-N 2 2 359.474 0.734 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084522917 1258149813 /nfs/dbraw/zinc/14/98/13/1258149813.db2.gz OLQHMJZHDKVVLN-BRWVUGGUSA-N 2 2 359.474 0.734 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663534 1258226567 /nfs/dbraw/zinc/22/65/67/1258226567.db2.gz IELUQSMCIHZKBO-ZTFGCOKTSA-N 2 2 358.486 0.811 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663534 1258226572 /nfs/dbraw/zinc/22/65/72/1258226572.db2.gz IELUQSMCIHZKBO-ZTFGCOKTSA-N 2 2 358.486 0.811 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084739058 1258280031 /nfs/dbraw/zinc/28/00/31/1258280031.db2.gz PFWOXHLWCAKMTL-BZUAXINKSA-N 2 2 362.474 0.056 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001084739058 1258280036 /nfs/dbraw/zinc/28/00/36/1258280036.db2.gz PFWOXHLWCAKMTL-BZUAXINKSA-N 2 2 362.474 0.056 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779338 1258322102 /nfs/dbraw/zinc/32/21/02/1258322102.db2.gz DYPGMLQCPUYJTD-PMUMKWKESA-N 2 2 371.485 0.961 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779338 1258322108 /nfs/dbraw/zinc/32/21/08/1258322108.db2.gz DYPGMLQCPUYJTD-PMUMKWKESA-N 2 2 371.485 0.961 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084798889 1258338977 /nfs/dbraw/zinc/33/89/77/1258338977.db2.gz IDHPUKJAJRUJSK-IJEWVQPXSA-N 2 2 355.446 0.572 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084798889 1258338983 /nfs/dbraw/zinc/33/89/83/1258338983.db2.gz IDHPUKJAJRUJSK-IJEWVQPXSA-N 2 2 355.446 0.572 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084833437 1258379877 /nfs/dbraw/zinc/37/98/77/1258379877.db2.gz DKWJZKFGZUZHGO-BRWVUGGUSA-N 2 2 359.474 0.734 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001084833437 1258379885 /nfs/dbraw/zinc/37/98/85/1258379885.db2.gz DKWJZKFGZUZHGO-BRWVUGGUSA-N 2 2 359.474 0.734 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084852042 1258401125 /nfs/dbraw/zinc/40/11/25/1258401125.db2.gz CSIXBIFGFYFMBW-KBAYOESNSA-N 2 2 356.470 0.783 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084852042 1258401131 /nfs/dbraw/zinc/40/11/31/1258401131.db2.gz CSIXBIFGFYFMBW-KBAYOESNSA-N 2 2 356.470 0.783 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911532 1258433455 /nfs/dbraw/zinc/43/34/55/1258433455.db2.gz JXVTZENMPPOSBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911532 1258433456 /nfs/dbraw/zinc/43/34/56/1258433456.db2.gz JXVTZENMPPOSBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911532 1258433458 /nfs/dbraw/zinc/43/34/58/1258433458.db2.gz JXVTZENMPPOSBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911532 1258433459 /nfs/dbraw/zinc/43/34/59/1258433459.db2.gz JXVTZENMPPOSBV-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941588 1258454971 /nfs/dbraw/zinc/45/49/71/1258454971.db2.gz RKISMURRPSOOTM-ZACQAIPSSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941588 1258454973 /nfs/dbraw/zinc/45/49/73/1258454973.db2.gz RKISMURRPSOOTM-ZACQAIPSSA-N 2 2 358.490 0.580 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033071 1258535185 /nfs/dbraw/zinc/53/51/85/1258535185.db2.gz PANNUUDHGJJCAC-VYDXJSESSA-N 2 2 359.474 0.423 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]21 ZINC001085033071 1258535191 /nfs/dbraw/zinc/53/51/91/1258535191.db2.gz PANNUUDHGJJCAC-VYDXJSESSA-N 2 2 359.474 0.423 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]21 ZINC001085033564 1258536817 /nfs/dbraw/zinc/53/68/17/1258536817.db2.gz NFXLVYCXCRHVLE-CJNGLKHVSA-N 2 2 361.446 0.292 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]21 ZINC001085033564 1258536821 /nfs/dbraw/zinc/53/68/21/1258536821.db2.gz NFXLVYCXCRHVLE-CJNGLKHVSA-N 2 2 361.446 0.292 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001085043623 1258542188 /nfs/dbraw/zinc/54/21/88/1258542188.db2.gz LCRNGIBCIWWWOU-PVAVHDDUSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)[C@H]2C1 ZINC001085043623 1258542189 /nfs/dbraw/zinc/54/21/89/1258542189.db2.gz LCRNGIBCIWWWOU-PVAVHDDUSA-N 2 2 358.446 0.133 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]32)nn1 ZINC001085050128 1258547410 /nfs/dbraw/zinc/54/74/10/1258547410.db2.gz YYYUZMHWVRMBHM-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]32)nn1 ZINC001085050128 1258547417 /nfs/dbraw/zinc/54/74/17/1258547417.db2.gz YYYUZMHWVRMBHM-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP C[NH+](C)[C@@](C)(C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)c1ccccc1 ZINC001085072585 1258568493 /nfs/dbraw/zinc/56/84/93/1258568493.db2.gz IKNAJQDATONNQX-OXFYSEKESA-N 2 2 358.486 0.872 20 0 FCADLP C[NH+](C)[C@@](C)(C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)c1ccccc1 ZINC001085072585 1258568499 /nfs/dbraw/zinc/56/84/99/1258568499.db2.gz IKNAJQDATONNQX-OXFYSEKESA-N 2 2 358.486 0.872 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001085075957 1258571529 /nfs/dbraw/zinc/57/15/29/1258571529.db2.gz YJTAIQAXPQNTND-HIFRSBDPSA-N 2 2 359.474 0.889 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001085075957 1258571534 /nfs/dbraw/zinc/57/15/34/1258571534.db2.gz YJTAIQAXPQNTND-HIFRSBDPSA-N 2 2 359.474 0.889 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093047 1258586919 /nfs/dbraw/zinc/58/69/19/1258586919.db2.gz BZRTUOVDLHJXFL-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085093047 1258586927 /nfs/dbraw/zinc/58/69/27/1258586927.db2.gz BZRTUOVDLHJXFL-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085093047 1258586931 /nfs/dbraw/zinc/58/69/31/1258586931.db2.gz BZRTUOVDLHJXFL-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085093047 1258586936 /nfs/dbraw/zinc/58/69/36/1258586936.db2.gz BZRTUOVDLHJXFL-RYRKJORJSA-N 2 2 360.506 0.981 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092980 1258587749 /nfs/dbraw/zinc/58/77/49/1258587749.db2.gz YTGAAJGADKVMAE-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092980 1258587753 /nfs/dbraw/zinc/58/77/53/1258587753.db2.gz YTGAAJGADKVMAE-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092980 1258587760 /nfs/dbraw/zinc/58/77/60/1258587760.db2.gz YTGAAJGADKVMAE-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092980 1258587765 /nfs/dbraw/zinc/58/77/65/1258587765.db2.gz YTGAAJGADKVMAE-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001085105812 1258598547 /nfs/dbraw/zinc/59/85/47/1258598547.db2.gz HSVYEKUGVIDZEF-ZBFHGGJFSA-N 2 2 356.430 0.805 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001085105812 1258598549 /nfs/dbraw/zinc/59/85/49/1258598549.db2.gz HSVYEKUGVIDZEF-ZBFHGGJFSA-N 2 2 356.430 0.805 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)[C@H]2C1 ZINC001085105958 1258599582 /nfs/dbraw/zinc/59/95/82/1258599582.db2.gz VPCBJVYACBLMRM-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)[C@H]2C1 ZINC001085105958 1258599585 /nfs/dbraw/zinc/59/95/85/1258599585.db2.gz VPCBJVYACBLMRM-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001085149119 1258610346 /nfs/dbraw/zinc/61/03/46/1258610346.db2.gz CTWPKNBTZJMICO-RBSFLKMASA-N 2 2 365.478 0.870 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001085149119 1258610352 /nfs/dbraw/zinc/61/03/52/1258610352.db2.gz CTWPKNBTZJMICO-RBSFLKMASA-N 2 2 365.478 0.870 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001085159305 1258611058 /nfs/dbraw/zinc/61/10/58/1258611058.db2.gz OVKINKRHLJRFAB-BRWVUGGUSA-N 2 2 364.494 0.707 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001085159305 1258611063 /nfs/dbraw/zinc/61/10/63/1258611063.db2.gz OVKINKRHLJRFAB-BRWVUGGUSA-N 2 2 364.494 0.707 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1C ZINC001085158995 1258612477 /nfs/dbraw/zinc/61/24/77/1258612477.db2.gz DOKWIGICXKRVKJ-KFWWJZLASA-N 2 2 364.494 0.225 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1C ZINC001085158995 1258612484 /nfs/dbraw/zinc/61/24/84/1258612484.db2.gz DOKWIGICXKRVKJ-KFWWJZLASA-N 2 2 364.494 0.225 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1)[NH+](C)C ZINC001088109502 1258646579 /nfs/dbraw/zinc/64/65/79/1258646579.db2.gz JGJMRMHQBVXITM-ILXRZTDVSA-N 2 2 364.494 0.756 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1)[NH+](C)C ZINC001088109502 1258646590 /nfs/dbraw/zinc/64/65/90/1258646590.db2.gz JGJMRMHQBVXITM-ILXRZTDVSA-N 2 2 364.494 0.756 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088111962 1258648368 /nfs/dbraw/zinc/64/83/68/1258648368.db2.gz FVHADWQAILVGJH-YALNPMBYSA-N 2 2 371.485 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088111962 1258648373 /nfs/dbraw/zinc/64/83/73/1258648373.db2.gz FVHADWQAILVGJH-YALNPMBYSA-N 2 2 371.485 0.583 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088183501 1258705067 /nfs/dbraw/zinc/70/50/67/1258705067.db2.gz JKOMQXXLNUSIIU-SJORKVTESA-N 2 2 369.469 0.940 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088183501 1258705074 /nfs/dbraw/zinc/70/50/74/1258705074.db2.gz JKOMQXXLNUSIIU-SJORKVTESA-N 2 2 369.469 0.940 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208416 1258731664 /nfs/dbraw/zinc/73/16/64/1258731664.db2.gz YSTGUBDVLMJRQW-RYRKJORJSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208416 1258731670 /nfs/dbraw/zinc/73/16/70/1258731670.db2.gz YSTGUBDVLMJRQW-RYRKJORJSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208416 1258731686 /nfs/dbraw/zinc/73/16/86/1258731686.db2.gz YSTGUBDVLMJRQW-RYRKJORJSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208416 1258731703 /nfs/dbraw/zinc/73/17/03/1258731703.db2.gz YSTGUBDVLMJRQW-RYRKJORJSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728254 1258822302 /nfs/dbraw/zinc/82/23/02/1258822302.db2.gz JPPUPJWOXLCEFM-AXAPSJFSSA-N 2 2 369.425 0.666 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728254 1258822311 /nfs/dbraw/zinc/82/23/11/1258822311.db2.gz JPPUPJWOXLCEFM-AXAPSJFSSA-N 2 2 369.425 0.666 20 0 FCADLP Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001092756971 1258829253 /nfs/dbraw/zinc/82/92/53/1258829253.db2.gz OAWFJCAIBBCLTD-TZMCWYRMSA-N 2 2 368.445 0.664 20 0 FCADLP Cc1c(C(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001092756971 1258829261 /nfs/dbraw/zinc/82/92/61/1258829261.db2.gz OAWFJCAIBBCLTD-TZMCWYRMSA-N 2 2 368.445 0.664 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820588 1258856700 /nfs/dbraw/zinc/85/67/00/1258856700.db2.gz JAHNIFKKVWEHEO-KFWWJZLASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820588 1258856704 /nfs/dbraw/zinc/85/67/04/1258856704.db2.gz JAHNIFKKVWEHEO-KFWWJZLASA-N 2 2 355.442 0.911 20 0 FCADLP O=C(C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)Nc1cnccn1 ZINC001100419614 1258910523 /nfs/dbraw/zinc/91/05/23/1258910523.db2.gz ZQWOWBWXSWEHSN-NWINJMCUSA-N 2 2 369.429 0.426 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419215 1258910725 /nfs/dbraw/zinc/91/07/25/1258910725.db2.gz QFWPLUVGWJKUNN-NEXFUWMNSA-N 2 2 362.478 0.705 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419215 1258910729 /nfs/dbraw/zinc/91/07/29/1258910729.db2.gz QFWPLUVGWJKUNN-NEXFUWMNSA-N 2 2 362.478 0.705 20 0 FCADLP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100418995 1258911342 /nfs/dbraw/zinc/91/13/42/1258911342.db2.gz LGKMRCAOULLKEC-NEXFUWMNSA-N 2 2 363.462 0.150 20 0 FCADLP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100418995 1258911346 /nfs/dbraw/zinc/91/13/46/1258911346.db2.gz LGKMRCAOULLKEC-NEXFUWMNSA-N 2 2 363.462 0.150 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464033 1258922809 /nfs/dbraw/zinc/92/28/09/1258922809.db2.gz AXLHNSWVRPRXEI-HZPDHXFCSA-N 2 2 363.506 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCc1ccccc1 ZINC001106705008 1258943318 /nfs/dbraw/zinc/94/33/18/1258943318.db2.gz NCGQEHPUVYJFDX-NVXWUHKLSA-N 2 2 369.469 0.953 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106749655 1258953372 /nfs/dbraw/zinc/95/33/72/1258953372.db2.gz BTKRJEFYUOCBTK-IIAWOOMASA-N 2 2 361.490 0.799 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106749655 1258953377 /nfs/dbraw/zinc/95/33/77/1258953377.db2.gz BTKRJEFYUOCBTK-IIAWOOMASA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106874592 1258984647 /nfs/dbraw/zinc/98/46/47/1258984647.db2.gz LSQYYSWMSZHHKL-GDBMZVCRSA-N 2 2 361.490 0.515 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874716 1258985564 /nfs/dbraw/zinc/98/55/64/1258985564.db2.gz QSUYFSDRZSQUTN-BZUAXINKSA-N 2 2 363.506 0.904 20 0 FCADLP Cc1noc(CCC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001106877245 1258986470 /nfs/dbraw/zinc/98/64/70/1258986470.db2.gz UAONBMHYRYNZCT-UKRRQHHQSA-N 2 2 360.462 0.971 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106922982 1258997205 /nfs/dbraw/zinc/99/72/05/1258997205.db2.gz WGLGWCGNYDTECS-BMFZPTHFSA-N 2 2 360.462 0.202 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106938103 1259000336 /nfs/dbraw/zinc/00/03/36/1259000336.db2.gz NPHDFWLGVNBTBH-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2 ZINC001107472712 1259097586 /nfs/dbraw/zinc/09/75/86/1259097586.db2.gz DHYOQBWXWIEPDN-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107472712 1259097595 /nfs/dbraw/zinc/09/75/95/1259097595.db2.gz DHYOQBWXWIEPDN-SJLPKXTDSA-N 2 2 357.462 0.881 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107546656 1259113317 /nfs/dbraw/zinc/11/33/17/1259113317.db2.gz KVHZFIOBURMZPE-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107546656 1259113320 /nfs/dbraw/zinc/11/33/20/1259113320.db2.gz KVHZFIOBURMZPE-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107546656 1259113326 /nfs/dbraw/zinc/11/33/26/1259113326.db2.gz KVHZFIOBURMZPE-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107546656 1259113329 /nfs/dbraw/zinc/11/33/29/1259113329.db2.gz KVHZFIOBURMZPE-HDMKZQKVSA-N 2 2 361.494 0.555 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)C1([NH+]2CCOCC2)CCCC1 ZINC001107563476 1259118621 /nfs/dbraw/zinc/11/86/21/1259118621.db2.gz CFDULSUVSJYCEA-IEBWSBKVSA-N 2 2 365.518 0.985 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)C1([NH+]2CCOCC2)CCCC1 ZINC001107563476 1259118625 /nfs/dbraw/zinc/11/86/25/1259118625.db2.gz CFDULSUVSJYCEA-IEBWSBKVSA-N 2 2 365.518 0.985 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107615149 1259134105 /nfs/dbraw/zinc/13/41/05/1259134105.db2.gz SMKARXMXDYPWQM-RDTXWAMCSA-N 2 2 364.494 0.311 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107615149 1259134112 /nfs/dbraw/zinc/13/41/12/1259134112.db2.gz SMKARXMXDYPWQM-RDTXWAMCSA-N 2 2 364.494 0.311 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107615149 1259134117 /nfs/dbraw/zinc/13/41/17/1259134117.db2.gz SMKARXMXDYPWQM-RDTXWAMCSA-N 2 2 364.494 0.311 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001107615149 1259134122 /nfs/dbraw/zinc/13/41/22/1259134122.db2.gz SMKARXMXDYPWQM-RDTXWAMCSA-N 2 2 364.494 0.311 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107609977 1259134369 /nfs/dbraw/zinc/13/43/69/1259134369.db2.gz JUOIMNMBYTWDNN-SJLPKXTDSA-N 2 2 357.462 0.615 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107609977 1259134371 /nfs/dbraw/zinc/13/43/71/1259134371.db2.gz JUOIMNMBYTWDNN-SJLPKXTDSA-N 2 2 357.462 0.615 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(=O)NC1CC1 ZINC001127548228 1259179222 /nfs/dbraw/zinc/17/92/22/1259179222.db2.gz ZPRHYORTNDLBTG-IIAWOOMASA-N 2 2 359.474 0.527 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547488 1259179330 /nfs/dbraw/zinc/17/93/30/1259179330.db2.gz LFXHLJHTIMZVID-HZPDHXFCSA-N 2 2 361.490 0.727 20 0 FCADLP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122592 1259320309 /nfs/dbraw/zinc/32/03/09/1259320309.db2.gz NSPMYCVAMDKIIF-ZNMIVQPWSA-N 2 2 363.441 0.734 20 0 FCADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122592 1259320322 /nfs/dbraw/zinc/32/03/22/1259320322.db2.gz NSPMYCVAMDKIIF-ZNMIVQPWSA-N 2 2 363.441 0.734 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1)OC ZINC001129139808 1259326231 /nfs/dbraw/zinc/32/62/31/1259326231.db2.gz VAOWSLTXCQTMEY-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1)OC ZINC001129139808 1259326236 /nfs/dbraw/zinc/32/62/36/1259326236.db2.gz VAOWSLTXCQTMEY-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139915 1259327717 /nfs/dbraw/zinc/32/77/17/1259327717.db2.gz ZDLGPGBWGMJAAF-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129139915 1259327719 /nfs/dbraw/zinc/32/77/19/1259327719.db2.gz ZDLGPGBWGMJAAF-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129224146 1259348618 /nfs/dbraw/zinc/34/86/18/1259348618.db2.gz WHYZFDQAZSBWSL-SJORKVTESA-N 2 2 360.437 0.911 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1n1ccnn1 ZINC001129224146 1259348626 /nfs/dbraw/zinc/34/86/26/1259348626.db2.gz WHYZFDQAZSBWSL-SJORKVTESA-N 2 2 360.437 0.911 20 0 FCADLP CCOC(=O)[C@H]1NC(=O)c2cc(NC(=[NH2+])N3CC[NH+](C)CC3)ccc2O1 ZINC001168740433 1259391161 /nfs/dbraw/zinc/39/11/61/1259391161.db2.gz JJLSMNCRSKBIMB-HNNXBMFYSA-N 2 2 361.402 0.292 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001212279637 1259452452 /nfs/dbraw/zinc/45/24/52/1259452452.db2.gz QQTCTGMNRMZKAP-HZPDHXFCSA-N 2 2 362.430 0.081 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001212279637 1259452457 /nfs/dbraw/zinc/45/24/57/1259452457.db2.gz QQTCTGMNRMZKAP-HZPDHXFCSA-N 2 2 362.430 0.081 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212289769 1259455712 /nfs/dbraw/zinc/45/57/12/1259455712.db2.gz PCDIQBYVQRHBNU-GVDBMIGSSA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212289769 1259455716 /nfs/dbraw/zinc/45/57/16/1259455716.db2.gz PCDIQBYVQRHBNU-GVDBMIGSSA-N 2 2 366.506 0.010 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001212315069 1259463013 /nfs/dbraw/zinc/46/30/13/1259463013.db2.gz QSCYWSLZWXTSFL-KRWDZBQOSA-N 2 2 372.473 0.996 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212384992 1259483579 /nfs/dbraw/zinc/48/35/79/1259483579.db2.gz CRBCCYAPSGVAIC-GVDBMIGSSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212384992 1259483585 /nfs/dbraw/zinc/48/35/85/1259483585.db2.gz CRBCCYAPSGVAIC-GVDBMIGSSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418154 1259496639 /nfs/dbraw/zinc/49/66/39/1259496639.db2.gz BVNJMPZRPUVNDD-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418154 1259496647 /nfs/dbraw/zinc/49/66/47/1259496647.db2.gz BVNJMPZRPUVNDD-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418154 1259496651 /nfs/dbraw/zinc/49/66/51/1259496651.db2.gz BVNJMPZRPUVNDD-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418154 1259496656 /nfs/dbraw/zinc/49/66/56/1259496656.db2.gz BVNJMPZRPUVNDD-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483315 1259520237 /nfs/dbraw/zinc/52/02/37/1259520237.db2.gz GNYYALNYRIJCCB-BZUAXINKSA-N 2 2 370.538 0.693 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483315 1259520238 /nfs/dbraw/zinc/52/02/38/1259520238.db2.gz GNYYALNYRIJCCB-BZUAXINKSA-N 2 2 370.538 0.693 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483315 1259520242 /nfs/dbraw/zinc/52/02/42/1259520242.db2.gz GNYYALNYRIJCCB-BZUAXINKSA-N 2 2 370.538 0.693 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483315 1259520243 /nfs/dbraw/zinc/52/02/43/1259520243.db2.gz GNYYALNYRIJCCB-BZUAXINKSA-N 2 2 370.538 0.693 20 0 FCADLP COCCN1CC2(CC[NH+](C[C@@H]3C[NH2+]C(C)(C)O3)CC2)[C@H](COC)C1=O ZINC001235606807 1259577665 /nfs/dbraw/zinc/57/76/65/1259577665.db2.gz HXAOQDKYVKENHN-JKSUJKDBSA-N 2 2 369.506 0.544 20 0 FCADLP COCCN1CC2(CC[NH+](C[C@@H]3C[NH2+]C(C)(C)O3)CC2)[C@@H](COC)C1=O ZINC001235606804 1259578057 /nfs/dbraw/zinc/57/80/57/1259578057.db2.gz HXAOQDKYVKENHN-HOTGVXAUSA-N 2 2 369.506 0.544 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001335333809 1259609917 /nfs/dbraw/zinc/60/99/17/1259609917.db2.gz XYYJVFQKMDHAJO-HUUCEWRRSA-N 2 2 368.503 0.413 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ncc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241901261 1259631225 /nfs/dbraw/zinc/63/12/25/1259631225.db2.gz LEHIUSWDFJBRPV-UHFFFAOYSA-N 2 2 370.457 0.659 20 0 FCADLP CCCC[C@H](CC)COC[C@@H](O)C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053264 1259645135 /nfs/dbraw/zinc/64/51/35/1259645135.db2.gz NLUXDGJMXGULPF-ROUUACIJSA-N 3 2 374.570 0.696 20 0 FCADLP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246053264 1259645146 /nfs/dbraw/zinc/64/51/46/1259645146.db2.gz NLUXDGJMXGULPF-ROUUACIJSA-N 3 2 374.570 0.696 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N[C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)C[NH2+]1 ZINC001246192903 1259650112 /nfs/dbraw/zinc/65/01/12/1259650112.db2.gz ZYQFKJNNKVOSQW-IKGGRYGDSA-N 2 2 363.458 0.721 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)C[NH2+]1 ZINC001246686528 1259658643 /nfs/dbraw/zinc/65/86/43/1259658643.db2.gz IXLITASORLYONZ-AAEUAGOBSA-N 2 2 358.402 0.020 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC[NH2+]1 ZINC001246738597 1259675935 /nfs/dbraw/zinc/67/59/35/1259675935.db2.gz QAAGMIBDWOTBFN-QKGUJMCYSA-N 2 2 359.474 0.826 20 0 FCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC[NH2+]1 ZINC001246738597 1259675943 /nfs/dbraw/zinc/67/59/43/1259675943.db2.gz QAAGMIBDWOTBFN-QKGUJMCYSA-N 2 2 359.474 0.826 20 0 FCADLP COc1ccc(COCCNC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001335505527 1259689840 /nfs/dbraw/zinc/68/98/40/1259689840.db2.gz SXHXZWHFXAUMPY-UHFFFAOYSA-N 2 2 350.463 0.934 20 0 FCADLP C[NH+](C)Cc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cc1 ZINC001247330971 1259699831 /nfs/dbraw/zinc/69/98/31/1259699831.db2.gz GGNTYHOSAFIWGW-HNNXBMFYSA-N 3 2 369.429 0.708 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001247332147 1259700261 /nfs/dbraw/zinc/70/02/61/1259700261.db2.gz IZWLCEARBIPCOX-LBPRGKRZSA-N 2 2 370.369 0.417 20 0 FCADLP Cn1ncc2cc(-c3noc(CNC(=O)[C@@H]([NH3+])Cc4c[nH+]c[nH]4)n3)ccc21 ZINC001247333438 1259701299 /nfs/dbraw/zinc/70/12/99/1259701299.db2.gz IJTMRBVVAXMSQF-ZDUSSCGKSA-N 2 2 366.385 0.533 20 0 FCADLP COc1ccc(F)cc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247332209 1259701899 /nfs/dbraw/zinc/70/18/99/1259701899.db2.gz KDLCYLUOUUBQIY-LBPRGKRZSA-N 2 2 360.349 0.794 20 0 FCADLP CN(C(=O)C(=O)N1CCC(C)(F)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335564566 1259719211 /nfs/dbraw/zinc/71/92/11/1259719211.db2.gz ZCOAXTKHZPXCBR-MRXNPFEDSA-N 2 2 368.497 0.964 20 0 FCADLP CN(C(=O)C(=O)N1CCC(C)(F)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335564566 1259719215 /nfs/dbraw/zinc/71/92/15/1259719215.db2.gz ZCOAXTKHZPXCBR-MRXNPFEDSA-N 2 2 368.497 0.964 20 0 FCADLP COC(=O)[C@H]1CCC[N@@H+](C2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024087 1259732819 /nfs/dbraw/zinc/73/28/19/1259732819.db2.gz MEUUBCJFCHKSAP-FUHWJXTLSA-N 2 2 369.506 0.029 20 0 FCADLP COC(=O)[C@H]1CCC[N@H+](C2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024087 1259732826 /nfs/dbraw/zinc/73/28/26/1259732826.db2.gz MEUUBCJFCHKSAP-FUHWJXTLSA-N 2 2 369.506 0.029 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001335623017 1259747127 /nfs/dbraw/zinc/74/71/27/1259747127.db2.gz UYJDVLSUPXRDMG-HZPDHXFCSA-N 2 2 354.495 0.555 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335631590 1259752856 /nfs/dbraw/zinc/75/28/56/1259752856.db2.gz ZQUMMFZPRRKVKT-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP Oc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C(O)O)cc1 ZINC001252948055 1259812535 /nfs/dbraw/zinc/81/25/35/1259812535.db2.gz JAIRSILMQWQRTH-FPOVZHCZSA-N 2 2 372.465 0.841 20 0 FCADLP Oc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C(O)O)cc1 ZINC001252948055 1259812545 /nfs/dbraw/zinc/81/25/45/1259812545.db2.gz JAIRSILMQWQRTH-FPOVZHCZSA-N 2 2 372.465 0.841 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948933 1259813120 /nfs/dbraw/zinc/81/31/20/1259813120.db2.gz BMMUSLRARFAKDR-UYAOXDASSA-N 2 2 372.469 0.731 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948933 1259813128 /nfs/dbraw/zinc/81/31/28/1259813128.db2.gz BMMUSLRARFAKDR-UYAOXDASSA-N 2 2 372.469 0.731 20 0 FCADLP C[NH+]1CCN(C[C@@H]2Cn3ccnc3C[N@H+](CC3(O)CCOCC3)C2)CC1 ZINC001252961489 1259814913 /nfs/dbraw/zinc/81/49/13/1259814913.db2.gz QTVXITZFWZQDTH-KRWDZBQOSA-N 2 2 363.506 0.104 20 0 FCADLP C[NH+]1CCN(C[C@@H]2Cn3ccnc3C[N@@H+](CC3(O)CCOCC3)C2)CC1 ZINC001252961489 1259814917 /nfs/dbraw/zinc/81/49/17/1259814917.db2.gz QTVXITZFWZQDTH-KRWDZBQOSA-N 2 2 363.506 0.104 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001253185313 1259826978 /nfs/dbraw/zinc/82/69/78/1259826978.db2.gz QFWIMWYLVRZYAU-BSDSXHPESA-N 2 2 371.522 0.416 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001253185313 1259826983 /nfs/dbraw/zinc/82/69/83/1259826983.db2.gz QFWIMWYLVRZYAU-BSDSXHPESA-N 2 2 371.522 0.416 20 0 FCADLP CCOC(=O)C[NH+]1CCC(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)CC1 ZINC001254407389 1259881510 /nfs/dbraw/zinc/88/15/10/1259881510.db2.gz IXBMBLGQTSKHDC-MRXNPFEDSA-N 2 2 363.506 0.904 20 0 FCADLP C[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001256205071 1259938080 /nfs/dbraw/zinc/93/80/80/1259938080.db2.gz WCKLPJNFNINIAZ-QGTPRVQTSA-N 2 2 359.474 0.780 20 0 FCADLP C[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001256205071 1259938088 /nfs/dbraw/zinc/93/80/88/1259938088.db2.gz WCKLPJNFNINIAZ-QGTPRVQTSA-N 2 2 359.474 0.780 20 0 FCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001256334596 1259945427 /nfs/dbraw/zinc/94/54/27/1259945427.db2.gz WVMNEAOPQDVOHI-ZNMIVQPWSA-N 2 2 370.494 0.550 20 0 FCADLP C[C@H]1CC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC001257086237 1259995041 /nfs/dbraw/zinc/99/50/41/1259995041.db2.gz GDBLAACAVBZXOQ-APYUEPQZSA-N 2 2 363.462 0.358 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001257727369 1260027020 /nfs/dbraw/zinc/02/70/20/1260027020.db2.gz LMOFRRRNZKCEIO-YALNPMBYSA-N 2 2 368.474 0.960 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001257727369 1260027028 /nfs/dbraw/zinc/02/70/28/1260027028.db2.gz LMOFRRRNZKCEIO-YALNPMBYSA-N 2 2 368.474 0.960 20 0 FCADLP CCC[NH+]1CCC([N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001258773829 1260056779 /nfs/dbraw/zinc/05/67/79/1260056779.db2.gz PJJHATSLFBOSOZ-IEBWSBKVSA-N 3 2 366.550 0.972 20 0 FCADLP CCC[NH+]1CCC([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001258773829 1260056788 /nfs/dbraw/zinc/05/67/88/1260056788.db2.gz PJJHATSLFBOSOZ-IEBWSBKVSA-N 3 2 366.550 0.972 20 0 FCADLP CCC[NH+]1CCC([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001258773829 1260056797 /nfs/dbraw/zinc/05/67/97/1260056797.db2.gz PJJHATSLFBOSOZ-IEBWSBKVSA-N 3 2 366.550 0.972 20 0 FCADLP CCC[NH+]1CCC([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001258773829 1260056802 /nfs/dbraw/zinc/05/68/02/1260056802.db2.gz PJJHATSLFBOSOZ-IEBWSBKVSA-N 3 2 366.550 0.972 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515789 1260153391 /nfs/dbraw/zinc/15/33/91/1260153391.db2.gz UJVZCFXUHFVZDL-GVDBMIGSSA-N 2 2 364.494 0.818 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515789 1260153397 /nfs/dbraw/zinc/15/33/97/1260153397.db2.gz UJVZCFXUHFVZDL-GVDBMIGSSA-N 2 2 364.494 0.818 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001261524191 1260154765 /nfs/dbraw/zinc/15/47/65/1260154765.db2.gz SAUHRFKZYQLOOI-QKPAOTATSA-N 2 2 363.462 0.133 20 0 FCADLP Cc1csc(N2CCN(C(=O)NCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC001336962725 1260270003 /nfs/dbraw/zinc/27/00/03/1260270003.db2.gz AYZZGYQWIGZCEA-UHFFFAOYSA-N 2 2 352.508 0.706 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cnn1-c1cc[nH+]cc1 ZINC001262152186 1260271449 /nfs/dbraw/zinc/27/14/49/1260271449.db2.gz KKYLUNDQCNRFSL-UHFFFAOYSA-N 2 2 357.414 0.754 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cnn1-c1cc[nH+]cc1 ZINC001262152186 1260271452 /nfs/dbraw/zinc/27/14/52/1260271452.db2.gz KKYLUNDQCNRFSL-UHFFFAOYSA-N 2 2 357.414 0.754 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001262170088 1260273302 /nfs/dbraw/zinc/27/33/02/1260273302.db2.gz CIIASOYBKWCYPS-IRXDYDNUSA-N 2 2 363.510 0.859 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001262170088 1260273310 /nfs/dbraw/zinc/27/33/10/1260273310.db2.gz CIIASOYBKWCYPS-IRXDYDNUSA-N 2 2 363.510 0.859 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C)CC1 ZINC001262857929 1260333477 /nfs/dbraw/zinc/33/34/77/1260333477.db2.gz NUAGYKJMLKMGPV-OAHLLOKOSA-N 2 2 363.510 0.572 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2C)CC1 ZINC001262857929 1260333486 /nfs/dbraw/zinc/33/34/86/1260333486.db2.gz NUAGYKJMLKMGPV-OAHLLOKOSA-N 2 2 363.510 0.572 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC001337240810 1260348547 /nfs/dbraw/zinc/34/85/47/1260348547.db2.gz VNOYZINSMRKKLY-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC001337240810 1260348554 /nfs/dbraw/zinc/34/85/54/1260348554.db2.gz VNOYZINSMRKKLY-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264653318 1260394793 /nfs/dbraw/zinc/39/47/93/1260394793.db2.gz SDAMZRPYIOKFAR-OAGGEKHMSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264653318 1260394801 /nfs/dbraw/zinc/39/48/01/1260394801.db2.gz SDAMZRPYIOKFAR-OAGGEKHMSA-N 2 2 361.490 0.893 20 0 FCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272618790 1260462396 /nfs/dbraw/zinc/46/23/96/1260462396.db2.gz SUMXUYKWGQGFHN-WZYMTQMTSA-N 2 2 359.474 0.645 20 0 FCADLP CN(CC(=O)N1CCC[C@]12CCN(CC[NH+](C)C)C2=O)c1cccc[nH+]1 ZINC001272724273 1260489119 /nfs/dbraw/zinc/48/91/19/1260489119.db2.gz LORQDUNDURSFRV-LJQANCHMSA-N 2 2 359.474 0.673 20 0 FCADLP COCCOC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868379 1260520884 /nfs/dbraw/zinc/52/08/84/1260520884.db2.gz RFZFBPVEZDWANZ-LJQANCHMSA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868379 1260520890 /nfs/dbraw/zinc/52/08/90/1260520890.db2.gz RFZFBPVEZDWANZ-LJQANCHMSA-N 2 2 368.522 0.169 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2C(=O)C1([NH+](C)C)CC1 ZINC001272909683 1260527159 /nfs/dbraw/zinc/52/71/59/1260527159.db2.gz WBUUYGLQHNORKA-GOSISDBHSA-N 2 2 359.474 0.998 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C)CC1 ZINC001338152699 1260573785 /nfs/dbraw/zinc/57/37/85/1260573785.db2.gz KJLZMBUBMYAMDB-HNNXBMFYSA-N 2 2 352.483 0.365 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C)CC1 ZINC001338152699 1260573792 /nfs/dbraw/zinc/57/37/92/1260573792.db2.gz KJLZMBUBMYAMDB-HNNXBMFYSA-N 2 2 352.483 0.365 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001273191775 1260620439 /nfs/dbraw/zinc/62/04/39/1260620439.db2.gz HDBFVSYYWUNAJV-YALNPMBYSA-N 2 2 359.474 0.852 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)CCc3ccc(N)[nH+]c3)C2)C1=O ZINC001273226947 1260630766 /nfs/dbraw/zinc/63/07/66/1260630766.db2.gz GODMRLADORFOBD-LJQANCHMSA-N 2 2 359.474 0.609 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001277726628 1260663489 /nfs/dbraw/zinc/66/34/89/1260663489.db2.gz RKGQKMBMVGKMSA-LJQANCHMSA-N 2 2 359.474 0.801 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001277726628 1260663495 /nfs/dbraw/zinc/66/34/95/1260663495.db2.gz RKGQKMBMVGKMSA-LJQANCHMSA-N 2 2 359.474 0.801 20 0 FCADLP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cn[nH]c4)CC3)[C@H]2C1 ZINC001278488396 1260700042 /nfs/dbraw/zinc/70/00/42/1260700042.db2.gz UAQNBDXOAJJCIL-HOTGVXAUSA-N 2 2 363.462 0.043 20 0 FCADLP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cn[nH]c4)CC3)[C@H]2C1 ZINC001278488396 1260700047 /nfs/dbraw/zinc/70/00/47/1260700047.db2.gz UAQNBDXOAJJCIL-HOTGVXAUSA-N 2 2 363.462 0.043 20 0 FCADLP Nc1ncc(C[N@@H+]2CC[C@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H]32)cn1 ZINC001279527855 1260884470 /nfs/dbraw/zinc/88/44/70/1260884470.db2.gz ZXXYBMQFFZHYSV-YESZJQIVSA-N 2 2 356.474 0.576 20 0 FCADLP Nc1ncc(C[N@H+]2CC[C@H]3CN(C(=O)[C@@H]4CC5CC[NH+]4CC5)C[C@H]32)cn1 ZINC001279527855 1260884473 /nfs/dbraw/zinc/88/44/73/1260884473.db2.gz ZXXYBMQFFZHYSV-YESZJQIVSA-N 2 2 356.474 0.576 20 0 FCADLP Cn1c(C(=O)N2CCC3(C[NH+](Cc4c[nH+]ccc4N)C3)C2)cccc1=O ZINC001279617223 1260899504 /nfs/dbraw/zinc/89/95/04/1260899504.db2.gz VIVXMURFBMMQKL-UHFFFAOYSA-N 2 2 353.426 0.541 20 0 FCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)nc1 ZINC001279633915 1260904871 /nfs/dbraw/zinc/90/48/71/1260904871.db2.gz ARHMNSUUVAKBHJ-ROUUACIJSA-N 2 2 362.474 0.705 20 0 FCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)nc1 ZINC001279633915 1260904874 /nfs/dbraw/zinc/90/48/74/1260904874.db2.gz ARHMNSUUVAKBHJ-ROUUACIJSA-N 2 2 362.474 0.705 20 0 FCADLP O=C(NCC1COC1)[C@H]1COCCC12C[NH+](CCC[NH+]1CCCCC1)C2 ZINC001279842824 1260941870 /nfs/dbraw/zinc/94/18/70/1260941870.db2.gz GAUIVGDYILKKLF-GOSISDBHSA-N 2 2 365.518 0.964 20 0 FCADLP Cn1c(=O)cccc1C(=O)N1CCO[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC001280070194 1260989216 /nfs/dbraw/zinc/98/92/16/1260989216.db2.gz ONCQEWOJKOCPJM-SJORKVTESA-N 2 2 360.458 0.005 20 0 FCADLP Cn1c(=O)cccc1C(=O)N1CCO[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC001280070194 1260989223 /nfs/dbraw/zinc/98/92/23/1260989223.db2.gz ONCQEWOJKOCPJM-SJORKVTESA-N 2 2 360.458 0.005 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C2=CNN3C=CNC=C23)CC1 ZINC001280070055 1260989786 /nfs/dbraw/zinc/98/97/86/1260989786.db2.gz JUEQTTZFEBLNRO-IRXDYDNUSA-N 2 2 356.474 0.376 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)C2=CNN3C=CNC=C23)CC1 ZINC001280070055 1260989794 /nfs/dbraw/zinc/98/97/94/1260989794.db2.gz JUEQTTZFEBLNRO-IRXDYDNUSA-N 2 2 356.474 0.376 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1 ZINC001280219376 1261038046 /nfs/dbraw/zinc/03/80/46/1261038046.db2.gz QNRQHUBIFBZYFZ-SFHVURJKSA-N 2 2 363.462 0.441 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CN(C(=O)c3ccc(=O)[nH]n3)CCO2)C1 ZINC001280219376 1261038052 /nfs/dbraw/zinc/03/80/52/1261038052.db2.gz QNRQHUBIFBZYFZ-SFHVURJKSA-N 2 2 363.462 0.441 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@H]2C[C@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280289351 1261047942 /nfs/dbraw/zinc/04/79/42/1261047942.db2.gz AKNOTEBKMCBAAD-KBXCAEBGSA-N 2 2 357.462 0.781 20 0 FCADLP CNc1nccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CCC([NH+](C)C)CC3)C2)n1 ZINC001280290185 1261048029 /nfs/dbraw/zinc/04/80/29/1261048029.db2.gz ADVRORAUCZYSDD-MRXNPFEDSA-N 2 2 358.490 0.893 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]12 ZINC001280290692 1261048749 /nfs/dbraw/zinc/04/87/49/1261048749.db2.gz CXOIFKRMJJDIMH-JKSUJKDBSA-N 2 2 362.478 0.407 20 0 FCADLP Cn1c[nH+]cc1CN1Cc2[nH]nc(C(=O)N3CCC([NH+](C)C)CC3)c2C1 ZINC001280291081 1261049025 /nfs/dbraw/zinc/04/90/25/1261049025.db2.gz JLXQVUZQCDWAKX-UHFFFAOYSA-N 2 2 357.462 0.825 20 0 FCADLP Cn1c[nH+]cc1CN1CCc2c(n[nH]c2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001280291542 1261049645 /nfs/dbraw/zinc/04/96/45/1261049645.db2.gz SSWZJEIMKFIYDA-UHFFFAOYSA-N 2 2 357.462 0.526 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001280291902 1261050493 /nfs/dbraw/zinc/05/04/93/1261050493.db2.gz YSURUFBZRUZZFL-QGZVFWFLSA-N 2 2 361.490 0.706 20 0 FCADLP Cc1[nH+]c[nH]c1CN1CCn2cc(C(=O)NC3CC[NH+](C)CC3)nc2C1 ZINC001280345118 1261060397 /nfs/dbraw/zinc/06/03/97/1261060397.db2.gz YRBNHGDVPBCHJB-UHFFFAOYSA-N 2 2 357.462 0.754 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1O ZINC001281937015 1261297898 /nfs/dbraw/zinc/29/78/98/1261297898.db2.gz SZALJDONCINLAH-CVEARBPZSA-N 2 2 362.474 0.650 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1O ZINC001281937015 1261297902 /nfs/dbraw/zinc/29/79/02/1261297902.db2.gz SZALJDONCINLAH-CVEARBPZSA-N 2 2 362.474 0.650 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC001473558941 1261492072 /nfs/dbraw/zinc/49/20/72/1261492072.db2.gz DKWJMFUHZSCPDM-MRXNPFEDSA-N 2 2 367.538 0.071 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC001473558941 1261492084 /nfs/dbraw/zinc/49/20/84/1261492084.db2.gz DKWJMFUHZSCPDM-MRXNPFEDSA-N 2 2 367.538 0.071 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143479 1261641100 /nfs/dbraw/zinc/64/11/00/1261641100.db2.gz WUVCRJQMICVPQO-HOCLYGCPSA-N 2 2 361.490 0.677 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001345143479 1261641108 /nfs/dbraw/zinc/64/11/08/1261641108.db2.gz WUVCRJQMICVPQO-HOCLYGCPSA-N 2 2 361.490 0.677 20 0 FCADLP CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](CC)CC ZINC001297139418 1262851166 /nfs/dbraw/zinc/85/11/66/1262851166.db2.gz JFPBWJCRTUDFBQ-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC(C)(C)C)CC1 ZINC001483768666 1263444864 /nfs/dbraw/zinc/44/48/64/1263444864.db2.gz RRLWXTWGFZNAKT-ZIAGYGMSSA-N 2 2 361.490 0.924 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001483768419 1263446270 /nfs/dbraw/zinc/44/62/70/1263446270.db2.gz NHZPBKLWCXWPMD-CHWSQXEVSA-N 2 2 369.429 0.191 20 0 FCADLP CC(=O)NCCNC(=O)CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318581904 1263589565 /nfs/dbraw/zinc/58/95/65/1263589565.db2.gz ZIMVNJLGYACCGE-UHFFFAOYSA-N 2 2 358.402 0.547 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC001318738377 1263604506 /nfs/dbraw/zinc/60/45/06/1263604506.db2.gz HPPCEDTUWGIFNW-UHFFFAOYSA-N 2 2 373.501 0.714 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC001318738377 1263604515 /nfs/dbraw/zinc/60/45/15/1263604515.db2.gz HPPCEDTUWGIFNW-UHFFFAOYSA-N 2 2 373.501 0.714 20 0 FCADLP Cc1c(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1C ZINC001319070807 1263646666 /nfs/dbraw/zinc/64/66/66/1263646666.db2.gz HCBUWHVOFUGPFQ-UHFFFAOYSA-N 2 2 362.478 0.342 20 0 FCADLP O=C(NCC[NH+]1CC=CC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001320580433 1263817970 /nfs/dbraw/zinc/81/79/70/1263817970.db2.gz SCTOWYPIODELCD-UHFFFAOYSA-N 2 2 372.469 0.488 20 0 FCADLP COC[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001495977907 1263845505 /nfs/dbraw/zinc/84/55/05/1263845505.db2.gz FLHYFOVGFSEXMM-BZUAXINKSA-N 2 2 362.474 0.455 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC001320901666 1263876889 /nfs/dbraw/zinc/87/68/89/1263876889.db2.gz XVJCKTJSXPQSDH-HZPDHXFCSA-N 2 2 361.490 0.879 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC001320901666 1263876896 /nfs/dbraw/zinc/87/68/96/1263876896.db2.gz XVJCKTJSXPQSDH-HZPDHXFCSA-N 2 2 361.490 0.879 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497259180 1263921172 /nfs/dbraw/zinc/92/11/72/1263921172.db2.gz IQKPKFYBHZXCHV-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497259180 1263921175 /nfs/dbraw/zinc/92/11/75/1263921175.db2.gz IQKPKFYBHZXCHV-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](n4cncn4)C3)CC2)CC1 ZINC001321463329 1263966014 /nfs/dbraw/zinc/96/60/14/1263966014.db2.gz NQECNUPIRLPVGE-QGZVFWFLSA-N 2 2 361.494 0.793 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3cccnc3)CC2)CC1 ZINC001321960201 1264111954 /nfs/dbraw/zinc/11/19/54/1264111954.db2.gz SXQNJRWQNVKLQN-UHFFFAOYSA-N 2 2 359.474 0.373 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001322696757 1264245951 /nfs/dbraw/zinc/24/59/51/1264245951.db2.gz ZRBFLMLGDSVNPZ-BZUAXINKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001322696757 1264245960 /nfs/dbraw/zinc/24/59/60/1264245960.db2.gz ZRBFLMLGDSVNPZ-BZUAXINKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc[nH]1 ZINC001322790650 1264265158 /nfs/dbraw/zinc/26/51/58/1264265158.db2.gz RRNYFFWMJDEZGO-AWEZNQCLSA-N 2 2 361.490 0.867 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc[nH]1 ZINC001322790651 1264265461 /nfs/dbraw/zinc/26/54/61/1264265461.db2.gz RRNYFFWMJDEZGO-CQSZACIVSA-N 2 2 361.490 0.867 20 0 FCADLP Cc1ccc(NCCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)[nH+]c1 ZINC001323451606 1264432793 /nfs/dbraw/zinc/43/27/93/1264432793.db2.gz GMMIEUOQTOGCJE-UHFFFAOYSA-N 2 2 363.462 0.147 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC001323782004 1264512714 /nfs/dbraw/zinc/51/27/14/1264512714.db2.gz RPLLTWPDSQHDQZ-JKSUJKDBSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC001323782004 1264512716 /nfs/dbraw/zinc/51/27/16/1264512716.db2.gz RPLLTWPDSQHDQZ-JKSUJKDBSA-N 2 2 373.501 0.968 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001325625350 1264950880 /nfs/dbraw/zinc/95/08/80/1264950880.db2.gz FMENYNWTSIOWAB-HNNXBMFYSA-N 2 2 361.490 0.487 20 0 FCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001325652982 1264960166 /nfs/dbraw/zinc/96/01/66/1264960166.db2.gz TUTFYDCAPLXNSE-HOTGVXAUSA-N 2 2 361.490 0.867 20 0 FCADLP COc1cccc(C[C@@H](O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123631 1265061487 /nfs/dbraw/zinc/06/14/87/1265061487.db2.gz HJNSIXFRMCFKNC-VQIMIIECSA-N 2 2 361.486 0.883 20 0 FCADLP COc1cccc(C[C@@H](O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123631 1265061494 /nfs/dbraw/zinc/06/14/94/1265061494.db2.gz HJNSIXFRMCFKNC-VQIMIIECSA-N 2 2 361.486 0.883 20 0 FCADLP COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CC[NH2+]CC3)[C@@H](C)C2)cc1 ZINC001326278059 1265091744 /nfs/dbraw/zinc/09/17/44/1265091744.db2.gz RCZVZYPOCUNKPH-HNNXBMFYSA-N 2 2 360.458 0.416 20 0 FCADLP COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CC[NH2+]CC3)[C@@H](C)C2)cc1 ZINC001326278059 1265091748 /nfs/dbraw/zinc/09/17/48/1265091748.db2.gz RCZVZYPOCUNKPH-HNNXBMFYSA-N 2 2 360.458 0.416 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OC ZINC001513430334 1265120103 /nfs/dbraw/zinc/12/01/03/1265120103.db2.gz PDRQLDDMPZICHY-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OC ZINC001513430334 1265120106 /nfs/dbraw/zinc/12/01/06/1265120106.db2.gz PDRQLDDMPZICHY-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OC ZINC001513430334 1265120107 /nfs/dbraw/zinc/12/01/07/1265120107.db2.gz PDRQLDDMPZICHY-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OC ZINC001513430334 1265120108 /nfs/dbraw/zinc/12/01/08/1265120108.db2.gz PDRQLDDMPZICHY-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001327676334 1265393175 /nfs/dbraw/zinc/39/31/75/1265393175.db2.gz VNEPZHRVVIYQMR-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CCC(C)(O)CC3)C2)CC1 ZINC001332743980 1266470878 /nfs/dbraw/zinc/47/08/78/1266470878.db2.gz IQLIUXJUVPYPFW-XAUUPUKJSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CCC(C)(O)CC3)C2)CC1 ZINC001332743980 1266470883 /nfs/dbraw/zinc/47/08/83/1266470883.db2.gz IQLIUXJUVPYPFW-XAUUPUKJSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399366 1266895648 /nfs/dbraw/zinc/89/56/48/1266895648.db2.gz HQPDJCJOPITPCE-LPHOPBHVSA-N 2 2 358.486 0.523 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399366 1266895665 /nfs/dbraw/zinc/89/56/65/1266895665.db2.gz HQPDJCJOPITPCE-LPHOPBHVSA-N 2 2 358.486 0.523 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001527878113 1266932620 /nfs/dbraw/zinc/93/26/20/1266932620.db2.gz MTFLMZPPKAHDBW-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001527878113 1266932625 /nfs/dbraw/zinc/93/26/25/1266932625.db2.gz MTFLMZPPKAHDBW-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H]1C[NH+](C)CCN1C ZINC001528130310 1266948262 /nfs/dbraw/zinc/94/82/62/1266948262.db2.gz KCFJMTDXHSABLE-DLBZAZTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H]1C[NH+](C)CCN1C ZINC001528130310 1266948269 /nfs/dbraw/zinc/94/82/69/1266948269.db2.gz KCFJMTDXHSABLE-DLBZAZTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@H]1C[N@H+](C)CCN1C ZINC001528130310 1266948275 /nfs/dbraw/zinc/94/82/75/1266948275.db2.gz KCFJMTDXHSABLE-DLBZAZTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001528130310 1266948281 /nfs/dbraw/zinc/94/82/81/1266948281.db2.gz KCFJMTDXHSABLE-DLBZAZTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC001528130310 1266948289 /nfs/dbraw/zinc/94/82/89/1266948289.db2.gz KCFJMTDXHSABLE-DLBZAZTESA-N 2 2 356.559 0.146 20 0 FCADLP C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001528130310 1266948296 /nfs/dbraw/zinc/94/82/96/1266948296.db2.gz KCFJMTDXHSABLE-DLBZAZTESA-N 2 2 356.559 0.146 20 0 FCADLP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001531434721 1267134967 /nfs/dbraw/zinc/13/49/67/1267134967.db2.gz HMIOCNPALPQHMH-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP Cc1c[nH]c(CC(N)=O)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001544622134 1267587174 /nfs/dbraw/zinc/58/71/74/1267587174.db2.gz ZKSHZBFPMGMSRB-UHFFFAOYSA-N 2 2 361.490 0.639 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153323 1267830891 /nfs/dbraw/zinc/83/08/91/1267830891.db2.gz NOUBBXOAUJWCJK-WVZRYYJFSA-N 2 2 360.462 0.618 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153323 1267830898 /nfs/dbraw/zinc/83/08/98/1267830898.db2.gz NOUBBXOAUJWCJK-WVZRYYJFSA-N 2 2 360.462 0.618 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153067 1267831520 /nfs/dbraw/zinc/83/15/20/1267831520.db2.gz JJKXNRQORBNDQO-QRTARXTBSA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153067 1267831527 /nfs/dbraw/zinc/83/15/27/1267831527.db2.gz JJKXNRQORBNDQO-QRTARXTBSA-N 2 2 362.478 0.721 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@@H+](C2CC2)C1 ZINC001549162829 1267842900 /nfs/dbraw/zinc/84/29/00/1267842900.db2.gz RPUVFUIWRCQQPN-YEWWUXTCSA-N 2 2 374.489 0.866 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC[N@H+](C2CC2)C1 ZINC001549162829 1267842921 /nfs/dbraw/zinc/84/29/21/1267842921.db2.gz RPUVFUIWRCQQPN-YEWWUXTCSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001549176356 1267854112 /nfs/dbraw/zinc/85/41/12/1267854112.db2.gz CXCKNIVTWPWNEF-IQNXINDISA-N 2 2 360.462 0.509 20 0 FCADLP Cc1cnn([C@@H]2[C@H](O)C[C@@H]2[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC001549194811 1267856123 /nfs/dbraw/zinc/85/61/23/1267856123.db2.gz LFFKPVZRQKXRRL-OTWHNJEPSA-N 2 2 363.506 0.252 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549348040 1267904074 /nfs/dbraw/zinc/90/40/74/1267904074.db2.gz HUUPNCQYUMZZCQ-IXDOHACOSA-N 2 2 365.522 0.175 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549348040 1267904081 /nfs/dbraw/zinc/90/40/81/1267904081.db2.gz HUUPNCQYUMZZCQ-IXDOHACOSA-N 2 2 365.522 0.175 20 0 FCADLP C[NH+](C)[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549559923 1267955674 /nfs/dbraw/zinc/95/56/74/1267955674.db2.gz GVPCDWZAXZCZLH-RRFJBIMHSA-N 2 2 358.450 0.021 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001549998993 1268040890 /nfs/dbraw/zinc/04/08/90/1268040890.db2.gz BQFKUPDJTCKWLT-ROUUACIJSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC001549998993 1268040901 /nfs/dbraw/zinc/04/09/01/1268040901.db2.gz BQFKUPDJTCKWLT-ROUUACIJSA-N 2 2 350.507 0.478 20 0 FCADLP C[NH+]1CCC(NC(=S)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001338765723 1268080101 /nfs/dbraw/zinc/08/01/01/1268080101.db2.gz SJQTWUCGOIBRNB-UHFFFAOYSA-N 2 2 362.565 0.054 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCCC[C@H]2c2c[nH+]cn2C)nn1 ZINC001550238955 1268092567 /nfs/dbraw/zinc/09/25/67/1268092567.db2.gz WSEUJDHYZSIJIP-JLJPHGGASA-N 2 2 373.461 0.467 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CCOC[C@H]3[NH3+])C2)c1 ZINC001550283700 1268103662 /nfs/dbraw/zinc/10/36/62/1268103662.db2.gz ZNJLRMHIHHRGBD-KURKYZTESA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CCOC[C@H]3[NH3+])C2)c1 ZINC001550283700 1268103665 /nfs/dbraw/zinc/10/36/65/1268103665.db2.gz ZNJLRMHIHHRGBD-KURKYZTESA-N 2 2 362.474 0.611 20 0 FCADLP Cn1c[nH+]cc1C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC001338910572 1268119496 /nfs/dbraw/zinc/11/94/96/1268119496.db2.gz ANYNHGFBUDBORL-UHFFFAOYSA-N 2 2 373.461 0.523 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539943 1268129263 /nfs/dbraw/zinc/12/92/63/1268129263.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539943 1268129269 /nfs/dbraw/zinc/12/92/69/1268129269.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539943 1268129272 /nfs/dbraw/zinc/12/92/72/1268129272.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539943 1268129278 /nfs/dbraw/zinc/12/92/78/1268129278.db2.gz QNXUMHCPPDAAKO-OKZBNKHCSA-N 3 2 352.523 0.343 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3nc(-c4nc[nH]n4)no3)C2)CC1 ZINC001338959143 1268130068 /nfs/dbraw/zinc/13/00/68/1268130068.db2.gz ORAHWINMWREHED-LBPRGKRZSA-N 2 2 374.449 0.072 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3nc(-c4nc[nH]n4)no3)C2)CC1 ZINC001338959143 1268130072 /nfs/dbraw/zinc/13/00/72/1268130072.db2.gz ORAHWINMWREHED-LBPRGKRZSA-N 2 2 374.449 0.072 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C[NH+]3CCOCC3)O1)C2 ZINC001550571208 1268134223 /nfs/dbraw/zinc/13/42/23/1268134223.db2.gz FSXLUSFLLTXGLN-YQVWRLOYSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C[NH+]3CCOCC3)O1)C2 ZINC001550571208 1268134227 /nfs/dbraw/zinc/13/42/27/1268134227.db2.gz FSXLUSFLLTXGLN-YQVWRLOYSA-N 2 2 351.491 0.811 20 0 FCADLP Cc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC(=O)N[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001550726524 1268156368 /nfs/dbraw/zinc/15/63/68/1268156368.db2.gz HHTDBVPJFRBUSQ-HOTGVXAUSA-N 2 2 372.473 0.362 20 0 FCADLP CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001339428346 1268236113 /nfs/dbraw/zinc/23/61/13/1268236113.db2.gz XVRAKRDPFDORHM-ZIAGYGMSSA-N 2 2 364.450 0.084 20 0 FCADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001551494392 1268261446 /nfs/dbraw/zinc/26/14/46/1268261446.db2.gz YOYFNQRNTHIMAM-RBUKOAKNSA-N 2 2 366.469 0.971 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585165 1268278690 /nfs/dbraw/zinc/27/86/90/1268278690.db2.gz ZQIYSFYAZJCPDO-KCQAQPDRSA-N 2 2 373.448 0.177 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933645 1268313574 /nfs/dbraw/zinc/31/35/74/1268313574.db2.gz CSYYQWIYONHIAE-ZNMIVQPWSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933645 1268313587 /nfs/dbraw/zinc/31/35/87/1268313587.db2.gz CSYYQWIYONHIAE-ZNMIVQPWSA-N 2 2 362.478 0.642 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@@H+]1C ZINC001551938422 1268315906 /nfs/dbraw/zinc/31/59/06/1268315906.db2.gz IYHFECHBMQHDHH-KBUPBQIOSA-N 2 2 362.478 0.499 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@H+]1C ZINC001551938422 1268315920 /nfs/dbraw/zinc/31/59/20/1268315920.db2.gz IYHFECHBMQHDHH-KBUPBQIOSA-N 2 2 362.478 0.499 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC001552013306 1268352375 /nfs/dbraw/zinc/35/23/75/1268352375.db2.gz YVHRYNTXGHVUMQ-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC001552169124 1268401025 /nfs/dbraw/zinc/40/10/25/1268401025.db2.gz WHFVUNXVNYRSLM-DZGCQCFKSA-N 2 2 359.434 0.109 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC001552352611 1268448302 /nfs/dbraw/zinc/44/83/02/1268448302.db2.gz WFFWRUHNXFVBAF-LJQANCHMSA-N 3 2 359.518 0.978 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC001552352611 1268448305 /nfs/dbraw/zinc/44/83/05/1268448305.db2.gz WFFWRUHNXFVBAF-LJQANCHMSA-N 3 2 359.518 0.978 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)Nc1ccnn1CC[NH+](C)C ZINC001552367668 1268450277 /nfs/dbraw/zinc/45/02/77/1268450277.db2.gz PEQFHWRSJMUYGW-LRDDRELGSA-N 2 2 374.449 0.320 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001340204479 1268470881 /nfs/dbraw/zinc/47/08/81/1268470881.db2.gz FSVISJHLRBFACJ-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC001552835187 1268556745 /nfs/dbraw/zinc/55/67/45/1268556745.db2.gz SIZGVDQRGMDODV-OAQYLSRUSA-N 2 2 373.497 0.872 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001553166197 1268602308 /nfs/dbraw/zinc/60/23/08/1268602308.db2.gz MJZTVWFRRJMVJN-SJORKVTESA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001553166197 1268602316 /nfs/dbraw/zinc/60/23/16/1268602316.db2.gz MJZTVWFRRJMVJN-SJORKVTESA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001553166197 1268602323 /nfs/dbraw/zinc/60/23/23/1268602323.db2.gz MJZTVWFRRJMVJN-SJORKVTESA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001553166197 1268602336 /nfs/dbraw/zinc/60/23/36/1268602336.db2.gz MJZTVWFRRJMVJN-SJORKVTESA-N 2 2 363.506 0.789 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)nc[nH+]1 ZINC001553455667 1268654851 /nfs/dbraw/zinc/65/48/51/1268654851.db2.gz BUWJEXHTFLPTKT-HBUWYVDXSA-N 2 2 359.478 0.928 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)[nH+]cn1 ZINC001553455667 1268654858 /nfs/dbraw/zinc/65/48/58/1268654858.db2.gz BUWJEXHTFLPTKT-HBUWYVDXSA-N 2 2 359.478 0.928 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@H]2[NH3+])c1 ZINC001553467558 1268656133 /nfs/dbraw/zinc/65/61/33/1268656133.db2.gz RGFLIMUSFSIHIG-RBSFLKMASA-N 2 2 355.446 0.530 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)([NH+]2CCOCC2)C1 ZINC001553482521 1268658876 /nfs/dbraw/zinc/65/88/76/1268658876.db2.gz XWYYSUCLRGSEGG-WUJZJPHMSA-N 2 2 366.506 0.779 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C[C@H]1F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553546148 1268666573 /nfs/dbraw/zinc/66/65/73/1268666573.db2.gz GEIREFBMOIPTML-CVEARBPZSA-N 2 2 350.442 0.436 20 0 FCADLP O=C(C[C@@H]1CCS(=O)(=O)C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001580510503 1278427427 /nfs/dbraw/zinc/42/74/27/1278427427.db2.gz ATLPZNWAEKBZIW-CWRNSKLLSA-N 2 2 355.504 0.238 20 0 FCADLP O=C(C[C@@H]1CCS(=O)(=O)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001580510503 1278427431 /nfs/dbraw/zinc/42/74/31/1278427431.db2.gz ATLPZNWAEKBZIW-CWRNSKLLSA-N 2 2 355.504 0.238 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC[NH2+]C[C@@H]2CO)c1 ZINC001340955016 1268722931 /nfs/dbraw/zinc/72/29/31/1268722931.db2.gz VDYVKTMWQWTTJG-MRXNPFEDSA-N 2 2 357.414 0.318 20 0 FCADLP Cc1cccn2c(CC(=O)N3C[C@H](n4ccnn4)[C@@H]([NH+](C)C)C3)c[nH+]c12 ZINC001553931872 1268735784 /nfs/dbraw/zinc/73/57/84/1268735784.db2.gz YJNPOWYAHFNYCA-HOTGVXAUSA-N 2 2 353.430 0.790 20 0 FCADLP Cc1cccn2c(CC(=O)N3C[C@@H](n4ccnn4)[C@H]([NH+](C)C)C3)c[nH+]c12 ZINC001553931876 1268735837 /nfs/dbraw/zinc/73/58/37/1268735837.db2.gz YJNPOWYAHFNYCA-HZPDHXFCSA-N 2 2 353.430 0.790 20 0 FCADLP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001554036184 1268746872 /nfs/dbraw/zinc/74/68/72/1268746872.db2.gz UBCQELFSLYLMRJ-RDJZCZTQSA-N 2 2 367.413 0.804 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001558163726 1269039595 /nfs/dbraw/zinc/03/95/95/1269039595.db2.gz VVTRCYDJJDMJGX-WBVHZDCISA-N 2 2 370.457 0.490 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001558163726 1269039607 /nfs/dbraw/zinc/03/96/07/1269039607.db2.gz VVTRCYDJJDMJGX-WBVHZDCISA-N 2 2 370.457 0.490 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001558163726 1269039616 /nfs/dbraw/zinc/03/96/16/1269039616.db2.gz VVTRCYDJJDMJGX-WBVHZDCISA-N 2 2 370.457 0.490 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001558163726 1269039627 /nfs/dbraw/zinc/03/96/27/1269039627.db2.gz VVTRCYDJJDMJGX-WBVHZDCISA-N 2 2 370.457 0.490 20 0 FCADLP C[NH+]1CCN(c2ccccc2CNS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001561238894 1269221858 /nfs/dbraw/zinc/22/18/58/1269221858.db2.gz ZIDOMMYYYGXTQF-UHFFFAOYSA-N 2 2 367.519 0.020 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001580549251 1278482021 /nfs/dbraw/zinc/48/20/21/1278482021.db2.gz QVHNGLWQHVHWNV-UHFFFAOYSA-N 2 2 356.470 0.468 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001580549251 1278482025 /nfs/dbraw/zinc/48/20/25/1278482025.db2.gz QVHNGLWQHVHWNV-UHFFFAOYSA-N 2 2 356.470 0.468 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1cc(C)on1 ZINC001567333302 1269689649 /nfs/dbraw/zinc/68/96/49/1269689649.db2.gz QEZQLFFMRWDMTD-ZIAGYGMSSA-N 2 2 351.451 0.700 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1cc(C)on1 ZINC001567333302 1269689655 /nfs/dbraw/zinc/68/96/55/1269689655.db2.gz QEZQLFFMRWDMTD-ZIAGYGMSSA-N 2 2 351.451 0.700 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1cc(C)on1 ZINC001567333302 1269689660 /nfs/dbraw/zinc/68/96/60/1269689660.db2.gz QEZQLFFMRWDMTD-ZIAGYGMSSA-N 2 2 351.451 0.700 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1cc(C)on1 ZINC001567333302 1269689668 /nfs/dbraw/zinc/68/96/68/1269689668.db2.gz QEZQLFFMRWDMTD-ZIAGYGMSSA-N 2 2 351.451 0.700 20 0 FCADLP COCn1ncc(C)c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001343077017 1269759515 /nfs/dbraw/zinc/75/95/15/1269759515.db2.gz IZPIMNJBADUKMN-KRWDZBQOSA-N 2 2 351.495 0.682 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COCc3ccnn3C)CC2)CC1 ZINC001570442568 1269884586 /nfs/dbraw/zinc/88/45/86/1269884586.db2.gz YKGYANFYAJZXLN-UHFFFAOYSA-N 2 2 363.506 0.955 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COCc3ccnn3C)CC2)CC1 ZINC001570442568 1269884599 /nfs/dbraw/zinc/88/45/99/1269884599.db2.gz YKGYANFYAJZXLN-UHFFFAOYSA-N 2 2 363.506 0.955 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001343519533 1269934722 /nfs/dbraw/zinc/93/47/22/1269934722.db2.gz HFLHLWWFDIKDLC-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001343519533 1269934727 /nfs/dbraw/zinc/93/47/27/1269934727.db2.gz HFLHLWWFDIKDLC-CVEARBPZSA-N 2 2 359.430 0.206 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC001580611113 1278568717 /nfs/dbraw/zinc/56/87/17/1278568717.db2.gz FRTMIMLJRYBBQU-SFHVURJKSA-N 2 2 357.454 0.885 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[NH2+][C@@H](CCO)C1 ZINC001580634743 1278597584 /nfs/dbraw/zinc/59/75/84/1278597584.db2.gz DLWDNDVMQUFLGW-INIZCTEOSA-N 2 2 354.495 0.387 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027437 1271004294 /nfs/dbraw/zinc/00/42/94/1271004294.db2.gz HVFCFKHSETXOEN-CABCVRRESA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027437 1271004302 /nfs/dbraw/zinc/00/43/02/1271004302.db2.gz HVFCFKHSETXOEN-CABCVRRESA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251658 1271119133 /nfs/dbraw/zinc/11/91/33/1271119133.db2.gz HQUJCHIAJLRFDC-CYBMUJFWSA-N 2 2 358.450 0.639 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251658 1271119138 /nfs/dbraw/zinc/11/91/38/1271119138.db2.gz HQUJCHIAJLRFDC-CYBMUJFWSA-N 2 2 358.450 0.639 20 0 FCADLP C[C@H](CCNC(=O)CCc1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574612423 1271419140 /nfs/dbraw/zinc/41/91/40/1271419140.db2.gz OLVYNPOYICHGAT-GFCCVEGCSA-N 2 2 369.433 0.357 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574671160 1271473430 /nfs/dbraw/zinc/47/34/30/1271473430.db2.gz KKYMGQNDUZSQFJ-STQMWFEESA-N 2 2 369.433 0.838 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1(C2(O)C[NH2+]C2)CCC1 ZINC001580660386 1278658434 /nfs/dbraw/zinc/65/84/34/1278658434.db2.gz BBRNAODKSTUCPJ-KRWDZBQOSA-N 2 2 359.470 0.508 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(C2(O)C[NH2+]C2)CCC1 ZINC001580660386 1278658441 /nfs/dbraw/zinc/65/84/41/1278658441.db2.gz BBRNAODKSTUCPJ-KRWDZBQOSA-N 2 2 359.470 0.508 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001575319649 1271922492 /nfs/dbraw/zinc/92/24/92/1271922492.db2.gz FXPLZQCWQOMGCD-CQSZACIVSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575384881 1272029383 /nfs/dbraw/zinc/02/93/83/1272029383.db2.gz KPMCEHOMBAYUGZ-VXGBXAGGSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575388717 1272035028 /nfs/dbraw/zinc/03/50/28/1272035028.db2.gz YSALARXLAHASTL-STQMWFEESA-N 2 2 368.445 0.826 20 0 FCADLP CC(C)Cc1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001575661748 1272278402 /nfs/dbraw/zinc/27/84/02/1272278402.db2.gz AQJQXSORLOIPSJ-JKSUJKDBSA-N 2 2 350.511 0.982 20 0 FCADLP CC(C)Cc1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001575666826 1272279220 /nfs/dbraw/zinc/27/92/20/1272279220.db2.gz QAUKBSUYUFQQIC-CVEARBPZSA-N 2 2 350.511 0.995 20 0 FCADLP C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@H](C)[NH2+]CCc1cn[nH]n1 ZINC001575685269 1272296954 /nfs/dbraw/zinc/29/69/54/1272296954.db2.gz DBXBJMBIKCVMIF-STQMWFEESA-N 2 2 361.450 0.728 20 0 FCADLP C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@H](C)[NH2+]CCc1c[nH]nn1 ZINC001575685269 1272296960 /nfs/dbraw/zinc/29/69/60/1272296960.db2.gz DBXBJMBIKCVMIF-STQMWFEESA-N 2 2 361.450 0.728 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576019562 1272718613 /nfs/dbraw/zinc/71/86/13/1272718613.db2.gz AAFGHLRVKWSFGK-IUODEOHRSA-N 2 2 366.429 0.912 20 0 FCADLP CC1CC[NH+](CC(=O)NC2(CO)CC[NH+](CCc3cn[nH]n3)CC2)CC1 ZINC001576103796 1272886751 /nfs/dbraw/zinc/88/67/51/1272886751.db2.gz HJVJMZOIZQBLBT-UHFFFAOYSA-N 2 2 364.494 0.022 20 0 FCADLP CC1CC[NH+](CC(=O)NC2(CO)CC[NH+](CCc3c[nH]nn3)CC2)CC1 ZINC001576103796 1272886772 /nfs/dbraw/zinc/88/67/72/1272886772.db2.gz HJVJMZOIZQBLBT-UHFFFAOYSA-N 2 2 364.494 0.022 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001576201823 1272988605 /nfs/dbraw/zinc/98/86/05/1272988605.db2.gz YZLISXKYDYKUTE-JYJNAYRXSA-N 2 2 353.511 0.160 20 0 FCADLP C[C@H](NC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001576201823 1272988606 /nfs/dbraw/zinc/98/86/06/1272988606.db2.gz YZLISXKYDYKUTE-JYJNAYRXSA-N 2 2 353.511 0.160 20 0 FCADLP CCC(=O)N1CC[NH+]([C@@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576421371 1273245872 /nfs/dbraw/zinc/24/58/72/1273245872.db2.gz SKBAMYDEEZNEGE-CQSZACIVSA-N 2 2 370.461 0.703 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2 ZINC001580710925 1278770509 /nfs/dbraw/zinc/77/05/09/1278770509.db2.gz ILWMPFJDGZOOEW-RHSMWYFYSA-N 2 2 360.439 0.123 20 0 FCADLP CC[C@H](C(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576483864 1273327178 /nfs/dbraw/zinc/32/71/78/1273327178.db2.gz XNKJINRQOUUIKC-CQSZACIVSA-N 2 2 360.466 0.887 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499419 1273362087 /nfs/dbraw/zinc/36/20/87/1273362087.db2.gz KDDOALKYXDDNEM-JKSUJKDBSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499419 1273362099 /nfs/dbraw/zinc/36/20/99/1273362099.db2.gz KDDOALKYXDDNEM-JKSUJKDBSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576522492 1273410935 /nfs/dbraw/zinc/41/09/35/1273410935.db2.gz WAVOQDJSPAKXHY-GUYCJALGSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001576612001 1273480629 /nfs/dbraw/zinc/48/06/29/1273480629.db2.gz PCPMAZZXGUUBBX-HIFRSBDPSA-N 2 2 358.446 0.166 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCCC2)cn1 ZINC001576750107 1273619674 /nfs/dbraw/zinc/61/96/74/1273619674.db2.gz MCTJMIPSTXXRSR-UHFFFAOYSA-N 2 2 360.466 0.395 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCCC2)cn1 ZINC001576750107 1273619679 /nfs/dbraw/zinc/61/96/79/1273619679.db2.gz MCTJMIPSTXXRSR-UHFFFAOYSA-N 2 2 360.466 0.395 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3c[nH]nn3)C2)CC1 ZINC001576752057 1273623308 /nfs/dbraw/zinc/62/33/08/1273623308.db2.gz ONCJVWXVBWQKEH-INIZCTEOSA-N 2 2 364.494 0.634 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCC2(CO[C@H](C[NH2+]Cc3cn[nH]n3)C2)CC1 ZINC001576752057 1273623312 /nfs/dbraw/zinc/62/33/12/1273623312.db2.gz ONCJVWXVBWQKEH-INIZCTEOSA-N 2 2 364.494 0.634 20 0 FCADLP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576804465 1273712330 /nfs/dbraw/zinc/71/23/30/1273712330.db2.gz SUANKJHQZPSGAF-STQMWFEESA-N 2 2 369.433 0.838 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576835524 1273766815 /nfs/dbraw/zinc/76/68/15/1273766815.db2.gz OKKRYFDZAJRWLA-AWEZNQCLSA-N 2 2 372.408 0.887 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@H]2CC[N@H+](Cc3cnn[nH]3)C2)CC1 ZINC001576882095 1273864098 /nfs/dbraw/zinc/86/40/98/1273864098.db2.gz HOBCDJDQIJVZMU-AWEZNQCLSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@H]2CC[N@@H+](Cc3cnn[nH]3)C2)CC1 ZINC001576882095 1273864110 /nfs/dbraw/zinc/86/41/10/1273864110.db2.gz HOBCDJDQIJVZMU-AWEZNQCLSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@H]2CC[N@H+](Cc3c[nH]nn3)C2)CC1 ZINC001576882095 1273864119 /nfs/dbraw/zinc/86/41/19/1273864119.db2.gz HOBCDJDQIJVZMU-AWEZNQCLSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@H]2CC[N@@H+](Cc3c[nH]nn3)C2)CC1 ZINC001576882095 1273864125 /nfs/dbraw/zinc/86/41/25/1273864125.db2.gz HOBCDJDQIJVZMU-AWEZNQCLSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@H]2CC[N@H+](Cc3cn[nH]n3)C2)CC1 ZINC001576882095 1273864132 /nfs/dbraw/zinc/86/41/32/1273864132.db2.gz HOBCDJDQIJVZMU-AWEZNQCLSA-N 2 2 350.467 0.244 20 0 FCADLP C[NH+]1CCC(OCC(=O)NCC[C@H]2CC[N@@H+](Cc3cn[nH]n3)C2)CC1 ZINC001576882095 1273864139 /nfs/dbraw/zinc/86/41/39/1273864139.db2.gz HOBCDJDQIJVZMU-AWEZNQCLSA-N 2 2 350.467 0.244 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576884756 1273874650 /nfs/dbraw/zinc/87/46/50/1273874650.db2.gz ZOARXWXGXQIMRR-HQVVEAJESA-N 2 2 362.478 0.529 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001576884756 1273874660 /nfs/dbraw/zinc/87/46/60/1273874660.db2.gz ZOARXWXGXQIMRR-HQVVEAJESA-N 2 2 362.478 0.529 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576884756 1273874670 /nfs/dbraw/zinc/87/46/70/1273874670.db2.gz ZOARXWXGXQIMRR-HQVVEAJESA-N 2 2 362.478 0.529 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001576884756 1273874693 /nfs/dbraw/zinc/87/46/93/1273874693.db2.gz ZOARXWXGXQIMRR-HQVVEAJESA-N 2 2 362.478 0.529 20 0 FCADLP CCCC(=O)N(C)CC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577185291 1274235002 /nfs/dbraw/zinc/23/50/02/1274235002.db2.gz SSUCKPMCDMNJKW-UHFFFAOYSA-N 2 2 372.477 0.951 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577547390 1274486254 /nfs/dbraw/zinc/48/62/54/1274486254.db2.gz KTHOCAZHYMUVLD-ZDUSSCGKSA-N 2 2 358.450 0.641 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577547390 1274486256 /nfs/dbraw/zinc/48/62/56/1274486256.db2.gz KTHOCAZHYMUVLD-ZDUSSCGKSA-N 2 2 358.450 0.641 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562762 1274513799 /nfs/dbraw/zinc/51/37/99/1274513799.db2.gz FEVUQTGTDGIDRO-CYBMUJFWSA-N 2 2 358.450 0.546 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577562762 1274513803 /nfs/dbraw/zinc/51/38/03/1274513803.db2.gz FEVUQTGTDGIDRO-CYBMUJFWSA-N 2 2 358.450 0.546 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577565463 1274522856 /nfs/dbraw/zinc/52/28/56/1274522856.db2.gz XZAKRMWQUWSWCN-OCCSQVGLSA-N 2 2 358.450 0.687 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577565463 1274522860 /nfs/dbraw/zinc/52/28/60/1274522860.db2.gz XZAKRMWQUWSWCN-OCCSQVGLSA-N 2 2 358.450 0.687 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCOCCC[NH2+]Cc1cnn[nH]1)CC2 ZINC001577572390 1274535204 /nfs/dbraw/zinc/53/52/04/1274535204.db2.gz TUTUJJHMDRTRSO-CQSZACIVSA-N 2 2 361.450 0.185 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001577767202 1274850582 /nfs/dbraw/zinc/85/05/82/1274850582.db2.gz HTHIPJUNHRTHSS-LPHOPBHVSA-N 3 2 352.523 0.901 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C)C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC001577767202 1274850592 /nfs/dbraw/zinc/85/05/92/1274850592.db2.gz HTHIPJUNHRTHSS-LPHOPBHVSA-N 3 2 352.523 0.901 20 0 FCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577866711 1275046246 /nfs/dbraw/zinc/04/62/46/1275046246.db2.gz KEBLOAJOCXVQSQ-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577866711 1275046250 /nfs/dbraw/zinc/04/62/50/1275046250.db2.gz KEBLOAJOCXVQSQ-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577866711 1275046260 /nfs/dbraw/zinc/04/62/60/1275046260.db2.gz KEBLOAJOCXVQSQ-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577866711 1275046267 /nfs/dbraw/zinc/04/62/67/1275046267.db2.gz KEBLOAJOCXVQSQ-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577888834 1275097434 /nfs/dbraw/zinc/09/74/34/1275097434.db2.gz XWDCAKBXSSYMRO-STQMWFEESA-N 2 2 356.434 0.393 20 0 FCADLP CC[NH+](CC)CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577895519 1275105974 /nfs/dbraw/zinc/10/59/74/1275105974.db2.gz IQPSUZYZHNNJNY-UHFFFAOYSA-N 2 2 358.450 0.689 20 0 FCADLP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949220 1275169599 /nfs/dbraw/zinc/16/95/99/1275169599.db2.gz CYIMAUSFTXFTSM-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949220 1275169602 /nfs/dbraw/zinc/16/96/02/1275169602.db2.gz CYIMAUSFTXFTSM-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949220 1275169604 /nfs/dbraw/zinc/16/96/04/1275169604.db2.gz CYIMAUSFTXFTSM-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949220 1275169609 /nfs/dbraw/zinc/16/96/09/1275169609.db2.gz CYIMAUSFTXFTSM-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCc2c[nH]nn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578019994 1275289970 /nfs/dbraw/zinc/28/99/70/1275289970.db2.gz CIGHXMAWKZTWHJ-HNNXBMFYSA-N 2 2 366.429 0.822 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCc2c[nH]nn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578019994 1275289976 /nfs/dbraw/zinc/28/99/76/1275289976.db2.gz CIGHXMAWKZTWHJ-HNNXBMFYSA-N 2 2 366.429 0.822 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCc2cn[nH]n2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578019994 1275289983 /nfs/dbraw/zinc/28/99/83/1275289983.db2.gz CIGHXMAWKZTWHJ-HNNXBMFYSA-N 2 2 366.429 0.822 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCc2cn[nH]n2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001578019994 1275289991 /nfs/dbraw/zinc/28/99/91/1275289991.db2.gz CIGHXMAWKZTWHJ-HNNXBMFYSA-N 2 2 366.429 0.822 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC001578215577 1275509779 /nfs/dbraw/zinc/50/97/79/1275509779.db2.gz NRWQUUKDENUSHK-UHFFFAOYSA-N 2 2 372.477 0.827 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC001578215577 1275509789 /nfs/dbraw/zinc/50/97/89/1275509789.db2.gz NRWQUUKDENUSHK-UHFFFAOYSA-N 2 2 372.477 0.827 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cccc(Cn2cc[nH+]c2)c1 ZINC001580799551 1278959736 /nfs/dbraw/zinc/95/97/36/1278959736.db2.gz JYKBDPQXYNRCOC-UHFFFAOYSA-N 2 2 352.402 0.711 20 0 FCADLP CCc1[nH+]ccn1CCNC(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578297633 1275624387 /nfs/dbraw/zinc/62/43/87/1275624387.db2.gz FSFNQLCBKNDUGX-KRWDZBQOSA-N 2 2 352.435 0.262 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578525099 1275957993 /nfs/dbraw/zinc/95/79/93/1275957993.db2.gz OXZSGVPDDMVIGA-MRXNPFEDSA-N 3 2 353.511 0.175 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578525099 1275957995 /nfs/dbraw/zinc/95/79/95/1275957995.db2.gz OXZSGVPDDMVIGA-MRXNPFEDSA-N 3 2 353.511 0.175 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529505 1275961925 /nfs/dbraw/zinc/96/19/25/1275961925.db2.gz WLKULLXGQORTOY-RDTXWAMCSA-N 2 2 355.479 0.535 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)C1 ZINC001578529505 1275961930 /nfs/dbraw/zinc/96/19/30/1275961930.db2.gz WLKULLXGQORTOY-RDTXWAMCSA-N 2 2 355.479 0.535 20 0 FCADLP C[N@@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532821 1275962884 /nfs/dbraw/zinc/96/28/84/1275962884.db2.gz XWRXASXFSFLNAB-NSHDSACASA-N 2 2 350.410 0.638 20 0 FCADLP C[N@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532821 1275962891 /nfs/dbraw/zinc/96/28/91/1275962891.db2.gz XWRXASXFSFLNAB-NSHDSACASA-N 2 2 350.410 0.638 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001578594999 1276027677 /nfs/dbraw/zinc/02/76/77/1276027677.db2.gz MMCADSFBZYNHCD-IETPZCKNSA-N 2 2 361.490 0.873 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001578616904 1276052903 /nfs/dbraw/zinc/05/29/03/1276052903.db2.gz XQMZBBNKRKWQPU-BZUAXINKSA-N 2 2 364.494 0.301 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001578616904 1276052907 /nfs/dbraw/zinc/05/29/07/1276052907.db2.gz XQMZBBNKRKWQPU-BZUAXINKSA-N 2 2 364.494 0.301 20 0 FCADLP CN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578848299 1276369499 /nfs/dbraw/zinc/36/94/99/1276369499.db2.gz WKGQPBIQHYMFRY-UHFFFAOYSA-N 2 2 367.457 0.605 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578887110 1276421389 /nfs/dbraw/zinc/42/13/89/1276421389.db2.gz TXYCTNWLRUDXIO-LBPRGKRZSA-N 2 2 372.458 0.858 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578887110 1276421394 /nfs/dbraw/zinc/42/13/94/1276421394.db2.gz TXYCTNWLRUDXIO-LBPRGKRZSA-N 2 2 372.458 0.858 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001578980346 1276540996 /nfs/dbraw/zinc/54/09/96/1276540996.db2.gz HINIRFRKYCAOTD-OAHLLOKOSA-N 2 2 373.461 0.135 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001578980346 1276540998 /nfs/dbraw/zinc/54/09/98/1276540998.db2.gz HINIRFRKYCAOTD-OAHLLOKOSA-N 2 2 373.461 0.135 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001579101687 1276756854 /nfs/dbraw/zinc/75/68/54/1276756854.db2.gz KKGGUGPSBQKXIQ-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001579101687 1276756867 /nfs/dbraw/zinc/75/68/67/1276756867.db2.gz KKGGUGPSBQKXIQ-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579101687 1276756879 /nfs/dbraw/zinc/75/68/79/1276756879.db2.gz KKGGUGPSBQKXIQ-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579101687 1276756887 /nfs/dbraw/zinc/75/68/87/1276756887.db2.gz KKGGUGPSBQKXIQ-IAGOWNOFSA-N 2 2 369.473 0.994 20 0 FCADLP CN(CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579137197 1276841184 /nfs/dbraw/zinc/84/11/84/1276841184.db2.gz WWFXSMXTXXFOHM-UHFFFAOYSA-N 2 2 372.408 0.793 20 0 FCADLP CN(CC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579137197 1276841202 /nfs/dbraw/zinc/84/12/02/1276841202.db2.gz WWFXSMXTXXFOHM-UHFFFAOYSA-N 2 2 372.408 0.793 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)C1([NH+](C)C)CCC1 ZINC001579150464 1276887008 /nfs/dbraw/zinc/88/70/08/1276887008.db2.gz CKTHSTDRBLBRKS-UHFFFAOYSA-N 2 2 358.450 0.641 20 0 FCADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168936 1276921289 /nfs/dbraw/zinc/92/12/89/1276921289.db2.gz KXCWIGSJKHVNHY-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168936 1276921293 /nfs/dbraw/zinc/92/12/93/1276921293.db2.gz KXCWIGSJKHVNHY-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168936 1276921298 /nfs/dbraw/zinc/92/12/98/1276921298.db2.gz KXCWIGSJKHVNHY-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168936 1276921303 /nfs/dbraw/zinc/92/13/03/1276921303.db2.gz KXCWIGSJKHVNHY-HNNXBMFYSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579172090 1276927740 /nfs/dbraw/zinc/92/77/40/1276927740.db2.gz LXNOFKSAMWFZSN-AWEZNQCLSA-N 2 2 361.425 0.506 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579172090 1276927746 /nfs/dbraw/zinc/92/77/46/1276927746.db2.gz LXNOFKSAMWFZSN-AWEZNQCLSA-N 2 2 361.425 0.506 20 0 FCADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579179854 1276943983 /nfs/dbraw/zinc/94/39/83/1276943983.db2.gz PTSQLKKGHKNNTC-UHFFFAOYSA-N 2 2 361.425 0.650 20 0 FCADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579179854 1276943993 /nfs/dbraw/zinc/94/39/93/1276943993.db2.gz PTSQLKKGHKNNTC-UHFFFAOYSA-N 2 2 361.425 0.650 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001579180310 1276945097 /nfs/dbraw/zinc/94/50/97/1276945097.db2.gz INOBKTWIJOPSPQ-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001579180310 1276945102 /nfs/dbraw/zinc/94/51/02/1276945102.db2.gz INOBKTWIJOPSPQ-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579180583 1276947390 /nfs/dbraw/zinc/94/73/90/1276947390.db2.gz QJHHPBBRYHUHFL-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579180583 1276947396 /nfs/dbraw/zinc/94/73/96/1276947396.db2.gz QJHHPBBRYHUHFL-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579183695 1276951085 /nfs/dbraw/zinc/95/10/85/1276951085.db2.gz KBWUFZWIEVXYHB-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001579183695 1276951091 /nfs/dbraw/zinc/95/10/91/1276951091.db2.gz KBWUFZWIEVXYHB-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001579256000 1277053045 /nfs/dbraw/zinc/05/30/45/1277053045.db2.gz MVTDFZOOLHJPFI-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001579256000 1277053046 /nfs/dbraw/zinc/05/30/46/1277053046.db2.gz MVTDFZOOLHJPFI-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP CC[C@@H](C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)OC ZINC001713078559 1287265042 /nfs/dbraw/zinc/26/50/42/1287265042.db2.gz VSFNGMSDRTWIDX-GVDBMIGSSA-N 2 2 363.506 0.682 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328824 1277157491 /nfs/dbraw/zinc/15/74/91/1277157491.db2.gz KSQZCTBXTBPWDV-HNNXBMFYSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579328824 1277157495 /nfs/dbraw/zinc/15/74/95/1277157495.db2.gz KSQZCTBXTBPWDV-HNNXBMFYSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335894 1277177451 /nfs/dbraw/zinc/17/74/51/1277177451.db2.gz WLIPIVYQZJJITI-VXGBXAGGSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335894 1277177453 /nfs/dbraw/zinc/17/74/53/1277177453.db2.gz WLIPIVYQZJJITI-VXGBXAGGSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335894 1277177454 /nfs/dbraw/zinc/17/74/54/1277177454.db2.gz WLIPIVYQZJJITI-VXGBXAGGSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335894 1277177456 /nfs/dbraw/zinc/17/74/56/1277177456.db2.gz WLIPIVYQZJJITI-VXGBXAGGSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CCC(CC(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001579344301 1277193941 /nfs/dbraw/zinc/19/39/41/1277193941.db2.gz PMLJDIHEADSGHM-UHFFFAOYSA-N 2 2 369.473 0.899 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC001579349954 1277205929 /nfs/dbraw/zinc/20/59/29/1277205929.db2.gz HUDQFAPEDSPLBE-INIZCTEOSA-N 2 2 353.488 0.813 20 0 FCADLP C[S@@](=O)C1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC001579354622 1277217363 /nfs/dbraw/zinc/21/73/63/1277217363.db2.gz LHWUUYFAWNIVDO-OYLFLEFRSA-N 2 2 357.520 0.058 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355961 1277219185 /nfs/dbraw/zinc/21/91/85/1277219185.db2.gz GRHWTMQBLHUZPE-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355961 1277219194 /nfs/dbraw/zinc/21/91/94/1277219194.db2.gz GRHWTMQBLHUZPE-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355961 1277219200 /nfs/dbraw/zinc/21/92/00/1277219200.db2.gz GRHWTMQBLHUZPE-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355961 1277219207 /nfs/dbraw/zinc/21/92/07/1277219207.db2.gz GRHWTMQBLHUZPE-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579355311 1277220121 /nfs/dbraw/zinc/22/01/21/1277220121.db2.gz DSXZZTOUMVJCPI-OAHLLOKOSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579355311 1277220123 /nfs/dbraw/zinc/22/01/23/1277220123.db2.gz DSXZZTOUMVJCPI-OAHLLOKOSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368856 1277249927 /nfs/dbraw/zinc/24/99/27/1277249927.db2.gz LVHQNBXDMSTUKA-ZENOOKHLSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368856 1277249933 /nfs/dbraw/zinc/24/99/33/1277249933.db2.gz LVHQNBXDMSTUKA-ZENOOKHLSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368816 1277250505 /nfs/dbraw/zinc/25/05/05/1277250505.db2.gz LCBNCKQIJWIHAE-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368816 1277250506 /nfs/dbraw/zinc/25/05/06/1277250506.db2.gz LCBNCKQIJWIHAE-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP Cc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CC[NH3+] ZINC001579801741 1277918412 /nfs/dbraw/zinc/91/84/12/1277918412.db2.gz MMJXKBCQKQUYKP-UHFFFAOYSA-N 2 2 358.490 0.904 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC001580027593 1277995064 /nfs/dbraw/zinc/99/50/64/1277995064.db2.gz FCDWGCYWMAZBDH-GFCCVEGCSA-N 2 2 370.417 0.366 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1c[nH+]cn1C ZINC001580279802 1278076408 /nfs/dbraw/zinc/07/64/08/1278076408.db2.gz HOOGATLQJFJTTQ-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988741 1279189010 /nfs/dbraw/zinc/18/90/10/1279189010.db2.gz UHGZEKBVZYGZQW-CHWSQXEVSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1cc(N[C@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995061 1279205802 /nfs/dbraw/zinc/20/58/02/1279205802.db2.gz WPQYFJOIUFPRTF-LLVKDONJSA-N 2 2 355.406 0.217 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001580999731 1279216162 /nfs/dbraw/zinc/21/61/62/1279216162.db2.gz QIRGRIOHZGSPJX-UHFFFAOYSA-N 2 2 367.417 0.258 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581006338 1279225317 /nfs/dbraw/zinc/22/53/17/1279225317.db2.gz PCJMCPWGJBUIJX-ZDUSSCGKSA-N 2 2 367.417 0.210 20 0 FCADLP Cc1cc(NCCCNC(=O)C[C@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027208 1279261830 /nfs/dbraw/zinc/26/18/30/1279261830.db2.gz NBIDQCDVNAGVME-ZDUSSCGKSA-N 2 2 369.433 0.758 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581028127 1279263473 /nfs/dbraw/zinc/26/34/73/1279263473.db2.gz HKGWENIPWQMHOO-UHFFFAOYSA-N 2 2 355.406 0.067 20 0 FCADLP Cc1cc(NCCN(C)C(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028320 1279265081 /nfs/dbraw/zinc/26/50/81/1279265081.db2.gz QOPFYNRRTVWHQB-UHFFFAOYSA-N 2 2 369.433 0.539 20 0 FCADLP Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030352 1279267289 /nfs/dbraw/zinc/26/72/89/1279267289.db2.gz VSGLUIHPGZDVGU-VXGBXAGGSA-N 2 2 367.417 0.057 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581031896 1279270261 /nfs/dbraw/zinc/27/02/61/1279270261.db2.gz MIQORRFTGJNORK-NSHDSACASA-N 2 2 355.406 0.114 20 0 FCADLP Cc1cc(N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581034449 1279271832 /nfs/dbraw/zinc/27/18/32/1279271832.db2.gz JALLXYFCLXNKFA-LBPRGKRZSA-N 2 2 369.433 0.586 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603318794 1287354214 /nfs/dbraw/zinc/35/42/14/1287354214.db2.gz WQVRZPPLDGRJPN-ZDUSSCGKSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603318794 1287354218 /nfs/dbraw/zinc/35/42/18/1287354218.db2.gz WQVRZPPLDGRJPN-ZDUSSCGKSA-N 2 2 358.450 0.687 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)c[nH+]1 ZINC001581304801 1279631571 /nfs/dbraw/zinc/63/15/71/1279631571.db2.gz MPXPTRUSCOPBJT-UHFFFAOYSA-N 2 2 369.433 0.494 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337892 1279715097 /nfs/dbraw/zinc/71/50/97/1279715097.db2.gz MLPKJWMPMMDIEL-CYBMUJFWSA-N 2 2 367.417 0.149 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001581338373 1279718086 /nfs/dbraw/zinc/71/80/86/1279718086.db2.gz YLFJLEXZEIPIBA-GXTWGEPZSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001581338469 1279718380 /nfs/dbraw/zinc/71/83/80/1279718380.db2.gz LOPRWKOOIUHYEP-LBPRGKRZSA-N 2 2 354.418 0.666 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581340602 1279722524 /nfs/dbraw/zinc/72/25/24/1279722524.db2.gz SESPFWHDGQSLNL-VXGBXAGGSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581340793 1279725228 /nfs/dbraw/zinc/72/52/28/1279725228.db2.gz ULIDATCPWPTYJY-LBPRGKRZSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581340793 1279725233 /nfs/dbraw/zinc/72/52/33/1279725233.db2.gz ULIDATCPWPTYJY-LBPRGKRZSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581562181 1280135547 /nfs/dbraw/zinc/13/55/47/1280135547.db2.gz LYANTCVYQTVOGV-UHFFFAOYSA-N 2 2 368.445 0.962 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581562181 1280135552 /nfs/dbraw/zinc/13/55/52/1280135552.db2.gz LYANTCVYQTVOGV-UHFFFAOYSA-N 2 2 368.445 0.962 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001581562553 1280138089 /nfs/dbraw/zinc/13/80/89/1280138089.db2.gz YLLZXQYUSGAHMN-WCQYABFASA-N 2 2 367.417 0.290 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581563759 1280142053 /nfs/dbraw/zinc/14/20/53/1280142053.db2.gz QXNSEOAZXMTNHD-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001581563759 1280142063 /nfs/dbraw/zinc/14/20/63/1280142063.db2.gz QXNSEOAZXMTNHD-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581564520 1280143179 /nfs/dbraw/zinc/14/31/79/1280143179.db2.gz ZLUXDOVSDMIQGJ-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581564520 1280143182 /nfs/dbraw/zinc/14/31/82/1280143182.db2.gz ZLUXDOVSDMIQGJ-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603523010 1287403029 /nfs/dbraw/zinc/40/30/29/1287403029.db2.gz ABQZJPPOEVJEMQ-IUODEOHRSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603523010 1287403034 /nfs/dbraw/zinc/40/30/34/1287403034.db2.gz ABQZJPPOEVJEMQ-IUODEOHRSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530814 1287410064 /nfs/dbraw/zinc/41/00/64/1287410064.db2.gz MTVGSVUVWRXAJP-GFCCVEGCSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530814 1287410070 /nfs/dbraw/zinc/41/00/70/1287410070.db2.gz MTVGSVUVWRXAJP-GFCCVEGCSA-N 2 2 358.450 0.687 20 0 FCADLP CCCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001717703962 1287432655 /nfs/dbraw/zinc/43/26/55/1287432655.db2.gz PMFNETJHHLYUJE-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CCCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001717703962 1287432661 /nfs/dbraw/zinc/43/26/61/1287432661.db2.gz PMFNETJHHLYUJE-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582050949 1280973566 /nfs/dbraw/zinc/97/35/66/1280973566.db2.gz JEIHSYZBWKLBQJ-JOCQHMNTSA-N 2 2 367.417 0.420 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582051266 1280975838 /nfs/dbraw/zinc/97/58/38/1280975838.db2.gz VFZUZVMZOWXITE-UHFFFAOYSA-N 2 2 354.418 0.749 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582088319 1281039211 /nfs/dbraw/zinc/03/92/11/1281039211.db2.gz DMOVFSWLZZRNOX-UHFFFAOYSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582088979 1281042643 /nfs/dbraw/zinc/04/26/43/1281042643.db2.gz PWVZTRXIKUHBCG-OAHLLOKOSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582089244 1281045055 /nfs/dbraw/zinc/04/50/55/1281045055.db2.gz ZMZMRDJNAOZQKW-ZDUSSCGKSA-N 2 2 367.417 0.373 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582089915 1281045351 /nfs/dbraw/zinc/04/53/51/1281045351.db2.gz FCJBXWBEIXOUBL-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582089915 1281045356 /nfs/dbraw/zinc/04/53/56/1281045356.db2.gz FCJBXWBEIXOUBL-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582090016 1281046693 /nfs/dbraw/zinc/04/66/93/1281046693.db2.gz KEMLDLNMFFXPRK-BETUJISGSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001582090581 1281048264 /nfs/dbraw/zinc/04/82/64/1281048264.db2.gz WCCNTLLTRFFCBG-VIKVFOODSA-N 2 2 365.401 0.099 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001582097913 1281053762 /nfs/dbraw/zinc/05/37/62/1281053762.db2.gz SYPCXJZOSFUPGR-HNNXBMFYSA-N 2 2 356.434 0.086 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099193 1281054503 /nfs/dbraw/zinc/05/45/03/1281054503.db2.gz LIECIQWWJWTRIU-ZDUSSCGKSA-N 2 2 356.434 0.443 20 0 FCADLP CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](CC)CC ZINC001582111722 1281063711 /nfs/dbraw/zinc/06/37/11/1281063711.db2.gz SRBGFRNDVGSMRW-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582169836 1281136812 /nfs/dbraw/zinc/13/68/12/1281136812.db2.gz GNASZHWSNNGDNV-INIZCTEOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582170372 1281137774 /nfs/dbraw/zinc/13/77/74/1281137774.db2.gz SVRKDSZSBLRNDU-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582171259 1281139511 /nfs/dbraw/zinc/13/95/11/1281139511.db2.gz BTUSYAPAEQMDPR-OKILXGFUSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582182912 1281159256 /nfs/dbraw/zinc/15/92/56/1281159256.db2.gz QYPPJTKWAKSIMS-GFCCVEGCSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582195272 1281175647 /nfs/dbraw/zinc/17/56/47/1281175647.db2.gz RLONDQLFCVZCRS-CYBMUJFWSA-N 2 2 367.417 0.373 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582195408 1281176215 /nfs/dbraw/zinc/17/62/15/1281176215.db2.gz YJEKVKOBJDDDQT-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197419 1281182476 /nfs/dbraw/zinc/18/24/76/1281182476.db2.gz OMCJWOJVRFVTPO-UHFFFAOYSA-N 2 2 352.402 0.311 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582197723 1281182700 /nfs/dbraw/zinc/18/27/00/1281182700.db2.gz XHBHSHDNGDXUOO-GFCCVEGCSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582197723 1281182702 /nfs/dbraw/zinc/18/27/02/1281182702.db2.gz XHBHSHDNGDXUOO-GFCCVEGCSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197714 1281183191 /nfs/dbraw/zinc/18/31/91/1281183191.db2.gz WWCITRPMLPTMHO-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197714 1281183192 /nfs/dbraw/zinc/18/31/92/1281183192.db2.gz WWCITRPMLPTMHO-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582198023 1281183749 /nfs/dbraw/zinc/18/37/49/1281183749.db2.gz JSILRFLNCDUYRL-OKILXGFUSA-N 2 2 370.392 0.639 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)CC1 ZINC001639386646 1282785783 /nfs/dbraw/zinc/78/57/83/1282785783.db2.gz MWZFXCYJDCOGES-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)CC1 ZINC001639386646 1282785791 /nfs/dbraw/zinc/78/57/91/1282785791.db2.gz MWZFXCYJDCOGES-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN(C)C(=O)COC)CC2)CC1 ZINC001643045718 1283058289 /nfs/dbraw/zinc/05/82/89/1283058289.db2.gz DIAZJRKBDHCAHB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN(C)C(=O)COC)CC2)CC1 ZINC001643045718 1283058299 /nfs/dbraw/zinc/05/82/99/1283058299.db2.gz DIAZJRKBDHCAHB-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590173019 1283274701 /nfs/dbraw/zinc/27/47/01/1283274701.db2.gz CCJBCOIDTHWLQS-BLLLJJGKSA-N 2 2 366.429 0.912 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21)CC(C)(C)C ZINC001719073194 1287657988 /nfs/dbraw/zinc/65/79/88/1287657988.db2.gz CBYIVXIZNRRJBP-LSDHHAIUSA-N 2 2 361.490 0.989 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21)CC(C)(C)C ZINC001719073194 1287657993 /nfs/dbraw/zinc/65/79/93/1287657993.db2.gz CBYIVXIZNRRJBP-LSDHHAIUSA-N 2 2 361.490 0.989 20 0 FCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1(C)C ZINC001591009535 1284069342 /nfs/dbraw/zinc/06/93/42/1284069342.db2.gz JDGUXUMPPYVKOI-NUEKZKHPSA-N 2 2 360.462 0.925 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591072255 1284134371 /nfs/dbraw/zinc/13/43/71/1284134371.db2.gz JHIWIFXXYZROPA-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001591072255 1284134375 /nfs/dbraw/zinc/13/43/75/1284134375.db2.gz JHIWIFXXYZROPA-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)CCn1cc[nH+]c1 ZINC001591103540 1284174533 /nfs/dbraw/zinc/17/45/33/1284174533.db2.gz VKWSLJCTRLHQAF-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591187869 1284302724 /nfs/dbraw/zinc/30/27/24/1284302724.db2.gz VHOJUHGYIAZXTF-XJKCOSOUSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591187869 1284302741 /nfs/dbraw/zinc/30/27/41/1284302741.db2.gz VHOJUHGYIAZXTF-XJKCOSOUSA-N 2 2 370.461 0.475 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1-c1nn[nH]n1 ZINC001591217759 1284355877 /nfs/dbraw/zinc/35/58/77/1284355877.db2.gz TWEAZPLYCQBIOW-JTQLQIEISA-N 2 2 370.421 0.139 20 0 FCADLP C[NH2+]CCOCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591219199 1284358141 /nfs/dbraw/zinc/35/81/41/1284358141.db2.gz UQCKGSXFFHZJJI-UHFFFAOYSA-N 3 2 359.478 0.657 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001604687129 1287733938 /nfs/dbraw/zinc/73/39/38/1287733938.db2.gz YMOZUNPRAFRRKW-UHFFFAOYSA-N 2 2 360.466 0.278 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC001604687129 1287733947 /nfs/dbraw/zinc/73/39/47/1287733947.db2.gz YMOZUNPRAFRRKW-UHFFFAOYSA-N 2 2 360.466 0.278 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001604697543 1287736909 /nfs/dbraw/zinc/73/69/09/1287736909.db2.gz UFZFJAQJTHAJFK-HOTGVXAUSA-N 2 2 357.462 0.886 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001604697543 1287736917 /nfs/dbraw/zinc/73/69/17/1287736917.db2.gz UFZFJAQJTHAJFK-HOTGVXAUSA-N 2 2 357.462 0.886 20 0 FCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccsc1-c1nn[nH]n1 ZINC001591723212 1284855295 /nfs/dbraw/zinc/85/52/95/1284855295.db2.gz RXLKUROVUABWPY-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccsc1-c1nn[nH]n1 ZINC001591723212 1284855303 /nfs/dbraw/zinc/85/53/03/1284855303.db2.gz RXLKUROVUABWPY-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007632 1285056674 /nfs/dbraw/zinc/05/66/74/1285056674.db2.gz ALFMXJIWVHJKSO-AWEZNQCLSA-N 2 2 370.461 0.703 20 0 FCADLP Cc1cc(NCCCN(C)C(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592048133 1285093297 /nfs/dbraw/zinc/09/32/97/1285093297.db2.gz VZIOKXXYGCWSHK-UHFFFAOYSA-N 2 2 355.406 0.149 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001592419275 1285344624 /nfs/dbraw/zinc/34/46/24/1285344624.db2.gz XHDLNWRRFPZGFM-UHFFFAOYSA-N 2 2 366.429 0.716 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001702688529 1285786316 /nfs/dbraw/zinc/78/63/16/1285786316.db2.gz MESFAJLSAQGQFQ-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001593518668 1286189865 /nfs/dbraw/zinc/18/98/65/1286189865.db2.gz CAFNNQMAIOJTMP-OAHLLOKOSA-N 2 2 358.446 0.777 20 0 FCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001593518668 1286189870 /nfs/dbraw/zinc/18/98/70/1286189870.db2.gz CAFNNQMAIOJTMP-OAHLLOKOSA-N 2 2 358.446 0.777 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001593768963 1286216704 /nfs/dbraw/zinc/21/67/04/1286216704.db2.gz VQJSNBBZWLLUNL-IKGGRYGDSA-N 2 2 355.442 0.528 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001593768963 1286216713 /nfs/dbraw/zinc/21/67/13/1286216713.db2.gz VQJSNBBZWLLUNL-IKGGRYGDSA-N 2 2 355.442 0.528 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001593768963 1286216720 /nfs/dbraw/zinc/21/67/20/1286216720.db2.gz VQJSNBBZWLLUNL-IKGGRYGDSA-N 2 2 355.442 0.528 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001593768963 1286216725 /nfs/dbraw/zinc/21/67/25/1286216725.db2.gz VQJSNBBZWLLUNL-IKGGRYGDSA-N 2 2 355.442 0.528 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001704717714 1286288155 /nfs/dbraw/zinc/28/81/55/1286288155.db2.gz XAVMXVMTTMMKBR-VVFCZOMOSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001704717714 1286288158 /nfs/dbraw/zinc/28/81/58/1286288158.db2.gz XAVMXVMTTMMKBR-VVFCZOMOSA-N 2 2 361.490 0.704 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001707088068 1286437295 /nfs/dbraw/zinc/43/72/95/1286437295.db2.gz AJEPMYAKZKMNAV-KLHDSHLOSA-N 2 2 361.490 0.876 20 0 FCADLP COCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609323173 1289095471 /nfs/dbraw/zinc/09/54/71/1289095471.db2.gz HGCBOMGYLMJUMO-QGZVFWFLSA-N 2 2 360.462 0.991 20 0 FCADLP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CCC[N@H+](CCO)CC3)c2c1 ZINC001609360155 1289117238 /nfs/dbraw/zinc/11/72/38/1289117238.db2.gz IEHKHQISHGFMGO-UHFFFAOYSA-N 2 2 369.429 0.928 20 0 FCADLP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CCC[N@@H+](CCO)CC3)c2c1 ZINC001609360155 1289117244 /nfs/dbraw/zinc/11/72/44/1289117244.db2.gz IEHKHQISHGFMGO-UHFFFAOYSA-N 2 2 369.429 0.928 20 0 FCADLP Cc1cc(NC2(CNC(=O)CCn3cc[nH+]c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605721370 1288061615 /nfs/dbraw/zinc/06/16/15/1288061615.db2.gz WGYHUWGWDRXHQS-UHFFFAOYSA-N 2 2 367.417 0.340 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001719338719 1288100425 /nfs/dbraw/zinc/10/04/25/1288100425.db2.gz XQYINIJKGVFYAZ-GDBMZVCRSA-N 2 2 359.474 0.662 20 0 FCADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)Cc1c[nH+]cn1C ZINC001721620352 1288360365 /nfs/dbraw/zinc/36/03/65/1288360365.db2.gz HJURDSNSXSRARG-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cc1c[nH+]cn1C ZINC001721620352 1288360371 /nfs/dbraw/zinc/36/03/71/1288360371.db2.gz HJURDSNSXSRARG-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC001606524297 1288361232 /nfs/dbraw/zinc/36/12/32/1288361232.db2.gz FSXLMOKOUAVLCL-UHFFFAOYSA-N 2 2 367.417 0.741 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001606619975 1288411640 /nfs/dbraw/zinc/41/16/40/1288411640.db2.gz JMRLNRJMLHUYNV-GFCCVEGCSA-N 2 2 372.458 0.763 20 0 FCADLP O=C(NC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001606687850 1288441717 /nfs/dbraw/zinc/44/17/17/1288441717.db2.gz CQHDXBMYSKXKAB-KRWDZBQOSA-N 2 2 367.457 0.509 20 0 FCADLP CC(C)Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001732643331 1288587249 /nfs/dbraw/zinc/58/72/49/1288587249.db2.gz BSVIHVOTGYHUDR-HZSPNIEDSA-N 2 2 353.467 0.175 20 0 FCADLP CC(C)Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001732643331 1288587253 /nfs/dbraw/zinc/58/72/53/1288587253.db2.gz BSVIHVOTGYHUDR-HZSPNIEDSA-N 2 2 353.467 0.175 20 0 FCADLP O=C(c1coc(-c2nn[nH]n2)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001607030894 1288601751 /nfs/dbraw/zinc/60/17/51/1288601751.db2.gz PGWKTYFNSGNISQ-OKILXGFUSA-N 2 2 357.418 0.501 20 0 FCADLP O=C(c1coc(-c2nn[nH]n2)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001607030894 1288601753 /nfs/dbraw/zinc/60/17/53/1288601753.db2.gz PGWKTYFNSGNISQ-OKILXGFUSA-N 2 2 357.418 0.501 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1Cc2c[nH+]cn2C1)c1cccc(-c2nn[nH]n2)c1 ZINC001607058466 1288628119 /nfs/dbraw/zinc/62/81/19/1288628119.db2.gz XNGDIEMAUFMJTI-LBPRGKRZSA-N 2 2 359.415 0.051 20 0 FCADLP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCCC1 ZINC001734580797 1288661814 /nfs/dbraw/zinc/66/18/14/1288661814.db2.gz GSWLAGNHWVCTIL-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCCC1 ZINC001734580797 1288661823 /nfs/dbraw/zinc/66/18/23/1288661823.db2.gz GSWLAGNHWVCTIL-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCCC1 ZINC001734580797 1288661834 /nfs/dbraw/zinc/66/18/34/1288661834.db2.gz GSWLAGNHWVCTIL-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCCC1 ZINC001734580797 1288661841 /nfs/dbraw/zinc/66/18/41/1288661841.db2.gz GSWLAGNHWVCTIL-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001735713447 1288789272 /nfs/dbraw/zinc/78/92/72/1288789272.db2.gz DZIQSCLWLMBMHB-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC001609613675 1289264827 /nfs/dbraw/zinc/26/48/27/1289264827.db2.gz URCCULIGSXVBSN-UHFFFAOYSA-N 3 2 370.505 0.326 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001691921698 1289343648 /nfs/dbraw/zinc/34/36/48/1289343648.db2.gz MXKKLGQVKGPWRJ-MELADBBJSA-N 2 2 354.476 0.261 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001691958531 1289350580 /nfs/dbraw/zinc/35/05/80/1289350580.db2.gz VRAUNPYRAVDISU-OWCLPIDISA-N 2 2 368.503 0.582 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001691958530 1289350610 /nfs/dbraw/zinc/35/06/10/1289350610.db2.gz VRAUNPYRAVDISU-HRCADAONSA-N 2 2 368.503 0.582 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001692063421 1289381852 /nfs/dbraw/zinc/38/18/52/1289381852.db2.gz ATRZFYZENCEGRQ-PVAVHDDUSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001692063421 1289381859 /nfs/dbraw/zinc/38/18/59/1289381859.db2.gz ATRZFYZENCEGRQ-PVAVHDDUSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001692189046 1289424280 /nfs/dbraw/zinc/42/42/80/1289424280.db2.gz WQTGAKPXCDIEKH-ZBFHGGJFSA-N 2 2 368.503 0.677 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001692189046 1289424287 /nfs/dbraw/zinc/42/42/87/1289424287.db2.gz WQTGAKPXCDIEKH-ZBFHGGJFSA-N 2 2 368.503 0.677 20 0 FCADLP C[C@H](C[N@H+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441069 1289555035 /nfs/dbraw/zinc/55/50/35/1289555035.db2.gz JGOYEFGCIDPNHL-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP C[C@H](C[N@@H+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699441069 1289555043 /nfs/dbraw/zinc/55/50/43/1289555043.db2.gz JGOYEFGCIDPNHL-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP C[C@H](C[NH+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699441069 1289555049 /nfs/dbraw/zinc/55/50/49/1289555049.db2.gz JGOYEFGCIDPNHL-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP C[C@H](C[NH+](C)CC(=O)Nc1nccs1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699441069 1289555053 /nfs/dbraw/zinc/55/50/53/1289555053.db2.gz JGOYEFGCIDPNHL-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001619934970 1289969634 /nfs/dbraw/zinc/96/96/34/1289969634.db2.gz RTPWREXNNQQJJD-MRXNPFEDSA-N 2 2 366.510 0.323 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001702312192 1290013302 /nfs/dbraw/zinc/01/33/02/1290013302.db2.gz NFDYIEAKCOKLOY-HUUCEWRRSA-N 2 2 363.462 0.170 20 0 FCADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001623498913 1290222778 /nfs/dbraw/zinc/22/27/78/1290222778.db2.gz JCHNQBYPDLUQEK-HOTGVXAUSA-N 2 2 365.478 0.056 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)n1 ZINC001754445950 1290628427 /nfs/dbraw/zinc/62/84/27/1290628427.db2.gz ZVAQHBMZBKVLBC-OAGGEKHMSA-N 2 2 357.462 0.906 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)n1 ZINC001754445950 1290628434 /nfs/dbraw/zinc/62/84/34/1290628434.db2.gz ZVAQHBMZBKVLBC-OAGGEKHMSA-N 2 2 357.462 0.906 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001757082199 1290712699 /nfs/dbraw/zinc/71/26/99/1290712699.db2.gz IVEZZCMMNRPMLZ-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001757082199 1290712703 /nfs/dbraw/zinc/71/27/03/1290712703.db2.gz IVEZZCMMNRPMLZ-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371823 1290880959 /nfs/dbraw/zinc/88/09/59/1290880959.db2.gz LXAUQKOUMHDBND-RDJZCZTQSA-N 2 2 365.499 0.459 20 0 FCADLP O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371823 1290880973 /nfs/dbraw/zinc/88/09/73/1290880973.db2.gz LXAUQKOUMHDBND-RDJZCZTQSA-N 2 2 365.499 0.459 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001762624626 1290882093 /nfs/dbraw/zinc/88/20/93/1290882093.db2.gz AXAQMSCXKRIEAG-NVXWUHKLSA-N 2 2 364.494 0.076 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001762624626 1290882107 /nfs/dbraw/zinc/88/21/07/1290882107.db2.gz AXAQMSCXKRIEAG-NVXWUHKLSA-N 2 2 364.494 0.076 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001762624628 1290882176 /nfs/dbraw/zinc/88/21/76/1290882176.db2.gz AXAQMSCXKRIEAG-RDJZCZTQSA-N 2 2 364.494 0.076 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001762624628 1290882186 /nfs/dbraw/zinc/88/21/86/1290882186.db2.gz AXAQMSCXKRIEAG-RDJZCZTQSA-N 2 2 364.494 0.076 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931300 1291380962 /nfs/dbraw/zinc/38/09/62/1291380962.db2.gz LZLRFCIUIKDCGR-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931300 1291380969 /nfs/dbraw/zinc/38/09/69/1291380969.db2.gz LZLRFCIUIKDCGR-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001655620160 1291479774 /nfs/dbraw/zinc/47/97/74/1291479774.db2.gz ZORVAIFUJIGNHQ-QANKJYHBSA-N 2 2 371.428 0.765 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001655620160 1291479779 /nfs/dbraw/zinc/47/97/79/1291479779.db2.gz ZORVAIFUJIGNHQ-QANKJYHBSA-N 2 2 371.428 0.765 20 0 FCADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001666700934 1291918040 /nfs/dbraw/zinc/91/80/40/1291918040.db2.gz QMSPBRCPPMAOKS-RDJZCZTQSA-N 2 2 352.504 0.904 20 0 FCADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001666700934 1291918045 /nfs/dbraw/zinc/91/80/45/1291918045.db2.gz QMSPBRCPPMAOKS-RDJZCZTQSA-N 2 2 352.504 0.904 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001688566510 1294509272 /nfs/dbraw/zinc/50/92/72/1294509272.db2.gz RJNBLLFQXLDOIG-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001688566510 1294509282 /nfs/dbraw/zinc/50/92/82/1294509282.db2.gz RJNBLLFQXLDOIG-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)CCc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001688566510 1294509291 /nfs/dbraw/zinc/50/92/91/1294509291.db2.gz RJNBLLFQXLDOIG-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)C(=O)CCc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001688566510 1294509297 /nfs/dbraw/zinc/50/92/97/1294509297.db2.gz RJNBLLFQXLDOIG-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001689073781 1294594448 /nfs/dbraw/zinc/59/44/48/1294594448.db2.gz XWJVHSVYEWFTCM-UKRRQHHQSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC001689086878 1294605424 /nfs/dbraw/zinc/60/54/24/1294605424.db2.gz ZKMIHZSOEGLDME-BFYDXBDKSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC001689086878 1294605431 /nfs/dbraw/zinc/60/54/31/1294605431.db2.gz ZKMIHZSOEGLDME-BFYDXBDKSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001689307465 1294733742 /nfs/dbraw/zinc/73/37/42/1294733742.db2.gz DNZDGXYFSOCIQT-PMPSAXMXSA-N 2 2 360.462 0.189 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001689307465 1294733746 /nfs/dbraw/zinc/73/37/46/1294733746.db2.gz DNZDGXYFSOCIQT-PMPSAXMXSA-N 2 2 360.462 0.189 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001689350312 1294768492 /nfs/dbraw/zinc/76/84/92/1294768492.db2.gz ZTQZSDCAKMOUAN-DNNJQHKHSA-N 2 2 359.474 0.574 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001689350312 1294768503 /nfs/dbraw/zinc/76/85/03/1294768503.db2.gz ZTQZSDCAKMOUAN-DNNJQHKHSA-N 2 2 359.474 0.574 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690516864 1294869204 /nfs/dbraw/zinc/86/92/04/1294869204.db2.gz DCZJYSRQPPMPQL-OAEZHTQQSA-N 2 2 360.458 0.755 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001690516864 1294869212 /nfs/dbraw/zinc/86/92/12/1294869212.db2.gz DCZJYSRQPPMPQL-OAEZHTQQSA-N 2 2 360.458 0.755 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO[C@@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001690516864 1294869223 /nfs/dbraw/zinc/86/92/23/1294869223.db2.gz DCZJYSRQPPMPQL-OAEZHTQQSA-N 2 2 360.458 0.755 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO[C@@H]3CCOC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001690516864 1294869231 /nfs/dbraw/zinc/86/92/31/1294869231.db2.gz DCZJYSRQPPMPQL-OAEZHTQQSA-N 2 2 360.458 0.755 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001691653898 1294902760 /nfs/dbraw/zinc/90/27/60/1294902760.db2.gz IMOIPZKYUFFTTQ-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001691653898 1294902770 /nfs/dbraw/zinc/90/27/70/1294902770.db2.gz IMOIPZKYUFFTTQ-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001691653898 1294902778 /nfs/dbraw/zinc/90/27/78/1294902778.db2.gz IMOIPZKYUFFTTQ-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001691653898 1294902787 /nfs/dbraw/zinc/90/27/87/1294902787.db2.gz IMOIPZKYUFFTTQ-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653499 1294903474 /nfs/dbraw/zinc/90/34/74/1294903474.db2.gz FVSMQFJQQHCQFZ-QLFBSQMISA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653499 1294903480 /nfs/dbraw/zinc/90/34/80/1294903480.db2.gz FVSMQFJQQHCQFZ-QLFBSQMISA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653499 1294903489 /nfs/dbraw/zinc/90/34/89/1294903489.db2.gz FVSMQFJQQHCQFZ-QLFBSQMISA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001691653499 1294903492 /nfs/dbraw/zinc/90/34/92/1294903492.db2.gz FVSMQFJQQHCQFZ-QLFBSQMISA-N 2 2 357.520 0.484 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001691759754 1294920429 /nfs/dbraw/zinc/92/04/29/1294920429.db2.gz WDYMTBFHBIATFR-BZUAXINKSA-N 2 2 365.478 0.203 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164625338 719133161 /nfs/dbraw/zinc/13/31/61/719133161.db2.gz WZBQUMVYIYSXEU-SFHVURJKSA-N 2 2 367.453 0.986 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164625338 719133172 /nfs/dbraw/zinc/13/31/72/719133172.db2.gz WZBQUMVYIYSXEU-SFHVURJKSA-N 2 2 367.453 0.986 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001164703344 719842778 /nfs/dbraw/zinc/84/27/78/719842778.db2.gz QSIZEZBHIOFQAC-OXJNMPFZSA-N 2 2 374.485 0.960 20 0 FCADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4C[NH2+]C5)C3)O2)CC1 ZINC001164889751 721399765 /nfs/dbraw/zinc/39/97/65/721399765.db2.gz MEBMAWRTCCNQLB-JXFKEZNVSA-N 2 2 372.517 0.845 20 0 FCADLP COCCN1C[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C1=O ZINC001164903979 721574340 /nfs/dbraw/zinc/57/43/40/721574340.db2.gz SWVUBRORQBWKIJ-CVEARBPZSA-N 2 2 359.474 0.374 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102788 837617497 /nfs/dbraw/zinc/61/74/97/837617497.db2.gz WLDAYCIUYMIJLW-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102788 837617500 /nfs/dbraw/zinc/61/75/00/837617500.db2.gz WLDAYCIUYMIJLW-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102788 837617502 /nfs/dbraw/zinc/61/75/02/837617502.db2.gz WLDAYCIUYMIJLW-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1 ZINC001070102788 837617506 /nfs/dbraw/zinc/61/75/06/837617506.db2.gz WLDAYCIUYMIJLW-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1n1ccnn1 ZINC001070332640 837646998 /nfs/dbraw/zinc/64/69/98/837646998.db2.gz OJSXCSRRFGXWNB-CABCVRRESA-N 2 2 360.487 0.759 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1n1ccnn1 ZINC001070332640 837647001 /nfs/dbraw/zinc/64/70/01/837647001.db2.gz OJSXCSRRFGXWNB-CABCVRRESA-N 2 2 360.487 0.759 20 0 FCADLP C[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001071090345 837730357 /nfs/dbraw/zinc/73/03/57/837730357.db2.gz KYMZPTCRTMZCHI-KYJSFNMBSA-N 2 2 350.463 0.812 20 0 FCADLP Cc1nnsc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610791 837779833 /nfs/dbraw/zinc/77/98/33/837779833.db2.gz DFGSVGPLPXSHOX-RBSFLKMASA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610791 837779840 /nfs/dbraw/zinc/77/98/40/837779840.db2.gz DFGSVGPLPXSHOX-RBSFLKMASA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610791 837779842 /nfs/dbraw/zinc/77/98/42/837779842.db2.gz DFGSVGPLPXSHOX-RBSFLKMASA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610791 837779850 /nfs/dbraw/zinc/77/98/50/837779850.db2.gz DFGSVGPLPXSHOX-RBSFLKMASA-N 2 2 367.519 0.894 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3csnn3)C2)C1 ZINC001099402750 844042878 /nfs/dbraw/zinc/04/28/78/844042878.db2.gz FMNDFDHITSTLFZ-QRTARXTBSA-N 2 2 365.503 0.587 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3csnn3)C2)C1 ZINC001099402750 844042887 /nfs/dbraw/zinc/04/28/87/844042887.db2.gz FMNDFDHITSTLFZ-QRTARXTBSA-N 2 2 365.503 0.587 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749568611 836372427 /nfs/dbraw/zinc/37/24/27/836372427.db2.gz CUICGCHOJBRDMN-HZPDHXFCSA-N 2 2 374.551 0.667 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000749829441 836388517 /nfs/dbraw/zinc/38/85/17/836388517.db2.gz QQUZFVCKFDKMCN-MRXNPFEDSA-N 2 2 356.536 0.237 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876751 837920109 /nfs/dbraw/zinc/92/01/09/837920109.db2.gz UVTOMNWZCPSOGL-GVDBMIGSSA-N 2 2 371.547 0.542 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876751 837920118 /nfs/dbraw/zinc/92/01/18/837920118.db2.gz UVTOMNWZCPSOGL-GVDBMIGSSA-N 2 2 371.547 0.542 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876751 837920131 /nfs/dbraw/zinc/92/01/31/837920131.db2.gz UVTOMNWZCPSOGL-GVDBMIGSSA-N 2 2 371.547 0.542 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876751 837920137 /nfs/dbraw/zinc/92/01/37/837920137.db2.gz UVTOMNWZCPSOGL-GVDBMIGSSA-N 2 2 371.547 0.542 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906672 837925995 /nfs/dbraw/zinc/92/59/95/837925995.db2.gz VFJZTVKMTSFBRT-ARFHVFGLSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906672 837926003 /nfs/dbraw/zinc/92/60/03/837926003.db2.gz VFJZTVKMTSFBRT-ARFHVFGLSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906672 837926012 /nfs/dbraw/zinc/92/60/12/837926012.db2.gz VFJZTVKMTSFBRT-ARFHVFGLSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001075906672 837926017 /nfs/dbraw/zinc/92/60/17/837926017.db2.gz VFJZTVKMTSFBRT-ARFHVFGLSA-N 2 2 357.520 0.438 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295206 837977913 /nfs/dbraw/zinc/97/79/13/837977913.db2.gz FMEBUMJHRPWJSZ-DZGCQCFKSA-N 2 2 361.471 0.717 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295206 837977918 /nfs/dbraw/zinc/97/79/18/837977918.db2.gz FMEBUMJHRPWJSZ-DZGCQCFKSA-N 2 2 361.471 0.717 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076985957 838194747 /nfs/dbraw/zinc/19/47/47/838194747.db2.gz FSEYQPFWUAAUMQ-RBSFLKMASA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076985957 838194751 /nfs/dbraw/zinc/19/47/51/838194751.db2.gz FSEYQPFWUAAUMQ-RBSFLKMASA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076985957 838194757 /nfs/dbraw/zinc/19/47/57/838194757.db2.gz FSEYQPFWUAAUMQ-RBSFLKMASA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076985957 838194762 /nfs/dbraw/zinc/19/47/62/838194762.db2.gz FSEYQPFWUAAUMQ-RBSFLKMASA-N 2 2 352.504 0.986 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)s3)C[C@H]2O)CC[N@@H+]1C ZINC001077026748 838224901 /nfs/dbraw/zinc/22/49/01/838224901.db2.gz IHCFEGJKEYTYBC-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)s3)C[C@H]2O)CC[N@H+]1C ZINC001077026748 838224912 /nfs/dbraw/zinc/22/49/12/838224912.db2.gz IHCFEGJKEYTYBC-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)CC[NH+]1C ZINC001077026748 838224919 /nfs/dbraw/zinc/22/49/19/838224919.db2.gz IHCFEGJKEYTYBC-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)CC[NH+]1C ZINC001077026748 838224929 /nfs/dbraw/zinc/22/49/29/838224929.db2.gz IHCFEGJKEYTYBC-ZJIFWQFVSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131731 838759214 /nfs/dbraw/zinc/75/92/14/838759214.db2.gz ISSPMTPOALZSSC-BRWVUGGUSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131731 838759222 /nfs/dbraw/zinc/75/92/22/838759222.db2.gz ISSPMTPOALZSSC-BRWVUGGUSA-N 2 2 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CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553910 839029504 /nfs/dbraw/zinc/02/95/04/839029504.db2.gz TYSXGMFOXVIFKN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553910 839029514 /nfs/dbraw/zinc/02/95/14/839029514.db2.gz TYSXGMFOXVIFKN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553910 839029528 /nfs/dbraw/zinc/02/95/28/839029528.db2.gz TYSXGMFOXVIFKN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553910 839029542 /nfs/dbraw/zinc/02/95/42/839029542.db2.gz TYSXGMFOXVIFKN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612641 839068406 /nfs/dbraw/zinc/06/84/06/839068406.db2.gz NAQLQIUACOYIRH-IAGOWNOFSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612641 839068409 /nfs/dbraw/zinc/06/84/09/839068409.db2.gz NAQLQIUACOYIRH-IAGOWNOFSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618942 839072397 /nfs/dbraw/zinc/07/23/97/839072397.db2.gz WGUIIYZWOOVBBP-HZPDHXFCSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618942 839072402 /nfs/dbraw/zinc/07/24/02/839072402.db2.gz WGUIIYZWOOVBBP-HZPDHXFCSA-N 2 2 350.463 0.549 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cs1 ZINC001077675266 839102232 /nfs/dbraw/zinc/10/22/32/839102232.db2.gz HEZBQXCCGVYJDN-APHBMKBZSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cs1 ZINC001077675266 839102235 /nfs/dbraw/zinc/10/22/35/839102235.db2.gz HEZBQXCCGVYJDN-APHBMKBZSA-N 2 2 352.504 0.640 20 0 FCADLP 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Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cs1 ZINC001077679424 839106550 /nfs/dbraw/zinc/10/65/50/839106550.db2.gz QXHBUEMVZUVHTB-APHBMKBZSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778640 839152152 /nfs/dbraw/zinc/15/21/52/839152152.db2.gz UQUYTPYLGRYLQV-IAGOWNOFSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778640 839152162 /nfs/dbraw/zinc/15/21/62/839152162.db2.gz UQUYTPYLGRYLQV-IAGOWNOFSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923824 839233270 /nfs/dbraw/zinc/23/32/70/839233270.db2.gz GEVIOKXTNLFYIA-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923824 839233285 /nfs/dbraw/zinc/23/32/85/839233285.db2.gz GEVIOKXTNLFYIA-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP 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C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951520 839630203 /nfs/dbraw/zinc/63/02/03/839630203.db2.gz RCFVPESFBLZBFN-BQGCOEIASA-N 2 2 350.438 0.876 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951520 839630208 /nfs/dbraw/zinc/63/02/08/839630208.db2.gz RCFVPESFBLZBFN-BQGCOEIASA-N 2 2 350.438 0.876 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951520 839630213 /nfs/dbraw/zinc/63/02/13/839630213.db2.gz RCFVPESFBLZBFN-BQGCOEIASA-N 2 2 350.438 0.876 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017586 839647120 /nfs/dbraw/zinc/64/71/20/839647120.db2.gz PBBJIPZCGNKKMU-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017586 839647126 /nfs/dbraw/zinc/64/71/26/839647126.db2.gz PBBJIPZCGNKKMU-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017586 839647134 /nfs/dbraw/zinc/64/71/34/839647134.db2.gz PBBJIPZCGNKKMU-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017586 839647138 /nfs/dbraw/zinc/64/71/38/839647138.db2.gz PBBJIPZCGNKKMU-DJIMGWMZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102314405 844465291 /nfs/dbraw/zinc/46/52/91/844465291.db2.gz GOIWIZNCFUMBSP-GNWIYXJHSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001102314405 844465298 /nfs/dbraw/zinc/46/52/98/844465298.db2.gz GOIWIZNCFUMBSP-GNWIYXJHSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102314405 844465301 /nfs/dbraw/zinc/46/53/01/844465301.db2.gz GOIWIZNCFUMBSP-GNWIYXJHSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001102314405 844465308 /nfs/dbraw/zinc/46/53/08/844465308.db2.gz GOIWIZNCFUMBSP-GNWIYXJHSA-N 2 2 367.881 0.894 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554350 839745598 /nfs/dbraw/zinc/74/55/98/839745598.db2.gz MNKSXRYUTQWFGJ-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554350 839745605 /nfs/dbraw/zinc/74/56/05/839745605.db2.gz MNKSXRYUTQWFGJ-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976775 839852084 /nfs/dbraw/zinc/85/20/84/839852084.db2.gz JEPIXLIMIFFLPM-BMFZPTHFSA-N 2 2 369.897 0.694 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976775 839852091 /nfs/dbraw/zinc/85/20/91/839852091.db2.gz JEPIXLIMIFFLPM-BMFZPTHFSA-N 2 2 369.897 0.694 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976775 839852100 /nfs/dbraw/zinc/85/21/00/839852100.db2.gz JEPIXLIMIFFLPM-BMFZPTHFSA-N 2 2 369.897 0.694 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2C)C1 ZINC001080976775 839852102 /nfs/dbraw/zinc/85/21/02/839852102.db2.gz JEPIXLIMIFFLPM-BMFZPTHFSA-N 2 2 369.897 0.694 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407597 844488845 /nfs/dbraw/zinc/48/88/45/844488845.db2.gz DPVJEMMCADYCCN-BFYDXBDKSA-N 2 2 352.479 0.670 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407597 844488848 /nfs/dbraw/zinc/48/88/48/844488848.db2.gz DPVJEMMCADYCCN-BFYDXBDKSA-N 2 2 352.479 0.670 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672891 839994272 /nfs/dbraw/zinc/99/42/72/839994272.db2.gz OBMWCCFNSKZGRF-ARFHVFGLSA-N 2 2 350.488 0.800 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672891 839994274 /nfs/dbraw/zinc/99/42/74/839994274.db2.gz OBMWCCFNSKZGRF-ARFHVFGLSA-N 2 2 350.488 0.800 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468271 844509810 /nfs/dbraw/zinc/50/98/10/844509810.db2.gz AIQZXONSDFQBLV-ZIAGYGMSSA-N 2 2 353.492 0.445 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001102468271 844509817 /nfs/dbraw/zinc/50/98/17/844509817.db2.gz AIQZXONSDFQBLV-ZIAGYGMSSA-N 2 2 353.492 0.445 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469157 844512160 /nfs/dbraw/zinc/51/21/60/844512160.db2.gz RUROKIADMDJQTI-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469157 844512164 /nfs/dbraw/zinc/51/21/64/844512164.db2.gz RUROKIADMDJQTI-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082549540 840458675 /nfs/dbraw/zinc/45/86/75/840458675.db2.gz HVMITSJAYDQWNI-CZUORRHYSA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082549540 840458679 /nfs/dbraw/zinc/45/86/79/840458679.db2.gz HVMITSJAYDQWNI-CZUORRHYSA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1csnn1 ZINC001082558234 840465134 /nfs/dbraw/zinc/46/51/34/840465134.db2.gz GGRVEXUGYKOJJQ-YUELXQCFSA-N 2 2 363.491 0.302 20 0 FCADLP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001082673857 840520936 /nfs/dbraw/zinc/52/09/36/840520936.db2.gz RZHYJRGCPONEEF-UKRRQHHQSA-N 2 2 363.487 0.942 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001082703312 840530146 /nfs/dbraw/zinc/53/01/46/840530146.db2.gz KYAKDXWKAVUKGX-YUELXQCFSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnns3)C2)C1 ZINC001082703312 840530150 /nfs/dbraw/zinc/53/01/50/840530150.db2.gz KYAKDXWKAVUKGX-YUELXQCFSA-N 2 2 353.492 0.584 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082702774 840530208 /nfs/dbraw/zinc/53/02/08/840530208.db2.gz HXAXNGZUOWMKQC-YUELXQCFSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082702774 840530213 /nfs/dbraw/zinc/53/02/13/840530213.db2.gz HXAXNGZUOWMKQC-YUELXQCFSA-N 2 2 351.451 0.424 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001082703058 840530739 /nfs/dbraw/zinc/53/07/39/840530739.db2.gz VZYZEHNEKYGJJT-BPLDGKMQSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001082703058 840530747 /nfs/dbraw/zinc/53/07/47/840530747.db2.gz VZYZEHNEKYGJJT-BPLDGKMQSA-N 2 2 353.492 0.584 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CCOC)no2)C1)[NH+](C)C ZINC001082747258 840545461 /nfs/dbraw/zinc/54/54/61/840545461.db2.gz HMVVLHHARNMBFD-MCIONIFRSA-N 2 2 353.467 0.535 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001082919695 840601982 /nfs/dbraw/zinc/60/19/82/840601982.db2.gz BEEQSURLSLOKSF-HZSPNIEDSA-N 2 2 351.451 0.147 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001082919695 840601986 /nfs/dbraw/zinc/60/19/86/840601986.db2.gz BEEQSURLSLOKSF-HZSPNIEDSA-N 2 2 351.451 0.147 20 0 FCADLP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)cs1 ZINC001083024323 840659783 /nfs/dbraw/zinc/65/97/83/840659783.db2.gz KGEMPIJNBPRRIM-YESZJQIVSA-N 2 2 364.515 1.000 20 0 FCADLP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)cs1 ZINC001083024323 840659792 /nfs/dbraw/zinc/65/97/92/840659792.db2.gz KGEMPIJNBPRRIM-YESZJQIVSA-N 2 2 364.515 1.000 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)cs1 ZINC001083024323 840659798 /nfs/dbraw/zinc/65/97/98/840659798.db2.gz KGEMPIJNBPRRIM-YESZJQIVSA-N 2 2 364.515 1.000 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)cs1 ZINC001083024323 840659804 /nfs/dbraw/zinc/65/98/04/840659804.db2.gz KGEMPIJNBPRRIM-YESZJQIVSA-N 2 2 364.515 1.000 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035121 840667805 /nfs/dbraw/zinc/66/78/05/840667805.db2.gz FMNAWGXQKISDPL-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035121 840667809 /nfs/dbraw/zinc/66/78/09/840667809.db2.gz FMNAWGXQKISDPL-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035121 840667811 /nfs/dbraw/zinc/66/78/11/840667811.db2.gz FMNAWGXQKISDPL-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCC4CCC4)C[C@@H]32)C1 ZINC001083035121 840667816 /nfs/dbraw/zinc/66/78/16/840667816.db2.gz FMNAWGXQKISDPL-RCCFBDPRSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1C ZINC001102580768 844574809 /nfs/dbraw/zinc/57/48/09/844574809.db2.gz KZRLMLMOJDUZJW-QLFBSQMISA-N 2 2 351.451 0.222 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1C ZINC001102580768 844574818 /nfs/dbraw/zinc/57/48/18/844574818.db2.gz KZRLMLMOJDUZJW-QLFBSQMISA-N 2 2 351.451 0.222 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001102580603 844575170 /nfs/dbraw/zinc/57/51/70/844575170.db2.gz DGVCCRVPNVYIGD-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001102580603 844575176 /nfs/dbraw/zinc/57/51/76/844575176.db2.gz DGVCCRVPNVYIGD-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373242 840945353 /nfs/dbraw/zinc/94/53/53/840945353.db2.gz XFJGHABHQVBNGJ-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373242 840945361 /nfs/dbraw/zinc/94/53/61/840945361.db2.gz XFJGHABHQVBNGJ-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373242 840945367 /nfs/dbraw/zinc/94/53/67/840945367.db2.gz XFJGHABHQVBNGJ-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001083373242 840945377 /nfs/dbraw/zinc/94/53/77/840945377.db2.gz XFJGHABHQVBNGJ-IKGGRYGDSA-N 2 2 353.413 0.763 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456066 841022995 /nfs/dbraw/zinc/02/29/95/841022995.db2.gz FSEYQPFWUAAUMQ-ILXRZTDVSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083456066 841023004 /nfs/dbraw/zinc/02/30/04/841023004.db2.gz FSEYQPFWUAAUMQ-ILXRZTDVSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456066 841023010 /nfs/dbraw/zinc/02/30/10/841023010.db2.gz FSEYQPFWUAAUMQ-ILXRZTDVSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456066 841023016 /nfs/dbraw/zinc/02/30/16/841023016.db2.gz FSEYQPFWUAAUMQ-ILXRZTDVSA-N 2 2 352.504 0.986 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616875 844604980 /nfs/dbraw/zinc/60/49/80/844604980.db2.gz WIECIIZRJCAANW-ZACQAIPSSA-N 2 2 350.463 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616875 844604985 /nfs/dbraw/zinc/60/49/85/844604985.db2.gz WIECIIZRJCAANW-ZACQAIPSSA-N 2 2 350.463 0.763 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616874 844605442 /nfs/dbraw/zinc/60/54/42/844605442.db2.gz WIECIIZRJCAANW-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616874 844605443 /nfs/dbraw/zinc/60/54/43/844605443.db2.gz WIECIIZRJCAANW-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001083701486 841335175 /nfs/dbraw/zinc/33/51/75/841335175.db2.gz WSSMPXUBMNYLCX-VQHPVUNQSA-N 2 2 367.877 0.629 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001083701486 841335187 /nfs/dbraw/zinc/33/51/87/841335187.db2.gz WSSMPXUBMNYLCX-VQHPVUNQSA-N 2 2 367.877 0.629 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001083701486 841335201 /nfs/dbraw/zinc/33/52/01/841335201.db2.gz WSSMPXUBMNYLCX-VQHPVUNQSA-N 2 2 367.877 0.629 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001083701486 841335217 /nfs/dbraw/zinc/33/52/17/841335217.db2.gz WSSMPXUBMNYLCX-VQHPVUNQSA-N 2 2 367.877 0.629 20 0 FCADLP O=C1COCC2(C[NH+](CC3CCSCC3)C2)N1CCn1cc[nH+]c1 ZINC001275777928 861192794 /nfs/dbraw/zinc/19/27/94/861192794.db2.gz UBOQJVBJJQPFRK-UHFFFAOYSA-N 2 2 350.488 0.940 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719815 841354506 /nfs/dbraw/zinc/35/45/06/841354506.db2.gz XRMHCPBUVUQBHQ-OAGGEKHMSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719815 841354515 /nfs/dbraw/zinc/35/45/15/841354515.db2.gz XRMHCPBUVUQBHQ-OAGGEKHMSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719815 841354527 /nfs/dbraw/zinc/35/45/27/841354527.db2.gz XRMHCPBUVUQBHQ-OAGGEKHMSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)C1 ZINC001083719815 841354536 /nfs/dbraw/zinc/35/45/36/841354536.db2.gz XRMHCPBUVUQBHQ-OAGGEKHMSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723425 841358261 /nfs/dbraw/zinc/35/82/61/841358261.db2.gz JRCUEMDZFTXCQC-IXDOHACOSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723425 841358271 /nfs/dbraw/zinc/35/82/71/841358271.db2.gz JRCUEMDZFTXCQC-IXDOHACOSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723425 841358282 /nfs/dbraw/zinc/35/82/82/841358282.db2.gz JRCUEMDZFTXCQC-IXDOHACOSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723425 841358292 /nfs/dbraw/zinc/35/82/92/841358292.db2.gz JRCUEMDZFTXCQC-IXDOHACOSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723309 841359658 /nfs/dbraw/zinc/35/96/58/841359658.db2.gz DWWKTZNBKYPXLN-OWCLPIDISA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723309 841359667 /nfs/dbraw/zinc/35/96/67/841359667.db2.gz DWWKTZNBKYPXLN-OWCLPIDISA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723309 841359678 /nfs/dbraw/zinc/35/96/78/841359678.db2.gz DWWKTZNBKYPXLN-OWCLPIDISA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)s1 ZINC001083723309 841359684 /nfs/dbraw/zinc/35/96/84/841359684.db2.gz DWWKTZNBKYPXLN-OWCLPIDISA-N 2 2 368.503 0.222 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799834 861196289 /nfs/dbraw/zinc/19/62/89/861196289.db2.gz OAKWUADRZJTAQS-MELADBBJSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1C[C@@H]2C[NH+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799834 861196297 /nfs/dbraw/zinc/19/62/97/861196297.db2.gz OAKWUADRZJTAQS-MELADBBJSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799834 861196305 /nfs/dbraw/zinc/19/63/05/861196305.db2.gz OAKWUADRZJTAQS-MELADBBJSA-N 2 2 365.396 0.307 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001275799834 861196312 /nfs/dbraw/zinc/19/63/12/861196312.db2.gz OAKWUADRZJTAQS-MELADBBJSA-N 2 2 365.396 0.307 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)s1 ZINC001083780943 841427027 /nfs/dbraw/zinc/42/70/27/841427027.db2.gz PQEPPRISCKXPTF-GLQYFDAESA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)s1 ZINC001083780943 841427032 /nfs/dbraw/zinc/42/70/32/841427032.db2.gz PQEPPRISCKXPTF-GLQYFDAESA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)s1 ZINC001083780943 841427042 /nfs/dbraw/zinc/42/70/42/841427042.db2.gz PQEPPRISCKXPTF-GLQYFDAESA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)s1 ZINC001083780943 841427051 /nfs/dbraw/zinc/42/70/51/841427051.db2.gz PQEPPRISCKXPTF-GLQYFDAESA-N 2 2 352.504 0.763 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781863 841431154 /nfs/dbraw/zinc/43/11/54/841431154.db2.gz XTIVGFCVQAHARG-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781863 841431164 /nfs/dbraw/zinc/43/11/64/841431164.db2.gz XTIVGFCVQAHARG-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781863 841431170 /nfs/dbraw/zinc/43/11/70/841431170.db2.gz XTIVGFCVQAHARG-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)C1 ZINC001083781863 841431177 /nfs/dbraw/zinc/43/11/77/841431177.db2.gz XTIVGFCVQAHARG-YUELXQCFSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833440 861220159 /nfs/dbraw/zinc/22/01/59/861220159.db2.gz GHQXFVCRRTUPPB-ZWKOTPCHSA-N 3 2 358.477 0.854 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833440 861220175 /nfs/dbraw/zinc/22/01/75/861220175.db2.gz GHQXFVCRRTUPPB-ZWKOTPCHSA-N 3 2 358.477 0.854 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001084057973 841671451 /nfs/dbraw/zinc/67/14/51/841671451.db2.gz DEOAPONKGASNME-SJORKVTESA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001084057973 841671457 /nfs/dbraw/zinc/67/14/57/841671457.db2.gz DEOAPONKGASNME-SJORKVTESA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001084058254 841672574 /nfs/dbraw/zinc/67/25/74/841672574.db2.gz RKBZHYUUYSGHKV-ZACQAIPSSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001084058254 841672583 /nfs/dbraw/zinc/67/25/83/841672583.db2.gz RKBZHYUUYSGHKV-ZACQAIPSSA-N 2 2 351.422 0.116 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572147 841833077 /nfs/dbraw/zinc/83/30/77/841833077.db2.gz XTNQJKPHDPTOOW-BZUAXINKSA-N 2 2 350.507 0.870 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572147 841833088 /nfs/dbraw/zinc/83/30/88/841833088.db2.gz XTNQJKPHDPTOOW-BZUAXINKSA-N 2 2 350.507 0.870 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911652 841952801 /nfs/dbraw/zinc/95/28/01/841952801.db2.gz RKBPTCVESIPSDS-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911652 841952808 /nfs/dbraw/zinc/95/28/08/841952808.db2.gz RKBPTCVESIPSDS-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911652 841952814 /nfs/dbraw/zinc/95/28/14/841952814.db2.gz RKBPTCVESIPSDS-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncs4)[C@H]3C2)C1 ZINC001084911652 841952820 /nfs/dbraw/zinc/95/28/20/841952820.db2.gz RKBPTCVESIPSDS-VNQPRFMTSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC001085159353 842029820 /nfs/dbraw/zinc/02/98/20/842029820.db2.gz QMBJXTGDCOPHLV-MCIONIFRSA-N 2 2 353.492 0.694 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001085159353 842029833 /nfs/dbraw/zinc/02/98/33/842029833.db2.gz QMBJXTGDCOPHLV-MCIONIFRSA-N 2 2 353.492 0.694 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085375108 842090112 /nfs/dbraw/zinc/09/01/12/842090112.db2.gz ZYRQAFZEWRZANG-HUUCEWRRSA-N 2 2 368.503 0.794 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119908 842121993 /nfs/dbraw/zinc/12/19/93/842121993.db2.gz FRGCRAYFFRIFQH-YIYPIFLZSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119908 842122003 /nfs/dbraw/zinc/12/20/03/842122003.db2.gz FRGCRAYFFRIFQH-YIYPIFLZSA-N 2 2 351.451 0.336 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086119946 842122530 /nfs/dbraw/zinc/12/25/30/842122530.db2.gz GTBAVEZVJSTXGG-QKGCVVFFSA-N 2 2 350.467 0.080 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086119946 842122538 /nfs/dbraw/zinc/12/25/38/842122538.db2.gz GTBAVEZVJSTXGG-QKGCVVFFSA-N 2 2 350.467 0.080 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001086120181 842122677 /nfs/dbraw/zinc/12/26/77/842122677.db2.gz OIVLWPAPLJULJE-FIUQPQMISA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001086120181 842122684 /nfs/dbraw/zinc/12/26/84/842122684.db2.gz OIVLWPAPLJULJE-FIUQPQMISA-N 2 2 350.463 0.995 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001086880351 842189896 /nfs/dbraw/zinc/18/98/96/842189896.db2.gz VMZIMRRAWJMYLC-RRFJBIMHSA-N 2 2 350.467 0.208 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001086880351 842189903 /nfs/dbraw/zinc/18/99/03/842189903.db2.gz VMZIMRRAWJMYLC-RRFJBIMHSA-N 2 2 350.467 0.208 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001086880377 842190025 /nfs/dbraw/zinc/19/00/25/842190025.db2.gz XBLDFFSWDRKUDA-ZNMIVQPWSA-N 2 2 367.519 0.942 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001086880377 842190028 /nfs/dbraw/zinc/19/00/28/842190028.db2.gz XBLDFFSWDRKUDA-ZNMIVQPWSA-N 2 2 367.519 0.942 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001087094175 842284526 /nfs/dbraw/zinc/28/45/26/842284526.db2.gz UZIWGCQTQKLJAS-ARFHVFGLSA-N 2 2 350.463 0.832 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnon2)C1 ZINC001087247966 842324518 /nfs/dbraw/zinc/32/45/18/842324518.db2.gz IZYRSBPQUDOMRM-KBMXLJTQSA-N 2 2 351.451 0.507 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnon2)C1 ZINC001087247966 842324529 /nfs/dbraw/zinc/32/45/29/842324529.db2.gz IZYRSBPQUDOMRM-KBMXLJTQSA-N 2 2 351.451 0.507 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087773570 842429024 /nfs/dbraw/zinc/42/90/24/842429024.db2.gz ULHYKFSZXXRAMJ-DLBZAZTESA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087773570 842429029 /nfs/dbraw/zinc/42/90/29/842429029.db2.gz ULHYKFSZXXRAMJ-DLBZAZTESA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087847636 842451038 /nfs/dbraw/zinc/45/10/38/842451038.db2.gz KAZRZNGONUHBKF-SOUVJXGZSA-N 2 2 354.476 0.287 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001087847636 842451047 /nfs/dbraw/zinc/45/10/47/842451047.db2.gz KAZRZNGONUHBKF-SOUVJXGZSA-N 2 2 354.476 0.287 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088052742 842517983 /nfs/dbraw/zinc/51/79/83/842517983.db2.gz FVQRIXYTFKTTOI-SQNIBIBYSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)CC[C@@H]2C1 ZINC001088052742 842517988 /nfs/dbraw/zinc/51/79/88/842517988.db2.gz FVQRIXYTFKTTOI-SQNIBIBYSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088052742 842517991 /nfs/dbraw/zinc/51/79/91/842517991.db2.gz FVQRIXYTFKTTOI-SQNIBIBYSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088052742 842517997 /nfs/dbraw/zinc/51/79/97/842517997.db2.gz FVQRIXYTFKTTOI-SQNIBIBYSA-N 2 2 353.507 0.650 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088219754 842564904 /nfs/dbraw/zinc/56/49/04/842564904.db2.gz UKXQTWDGDREGON-XHSDSOJGSA-N 2 2 366.487 0.098 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088219754 842564911 /nfs/dbraw/zinc/56/49/11/842564911.db2.gz UKXQTWDGDREGON-XHSDSOJGSA-N 2 2 366.487 0.098 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620272 842632277 /nfs/dbraw/zinc/63/22/77/842632277.db2.gz BZLXQYNQGIXKJJ-PMPSAXMXSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620272 842632284 /nfs/dbraw/zinc/63/22/84/842632284.db2.gz BZLXQYNQGIXKJJ-PMPSAXMXSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620272 842632289 /nfs/dbraw/zinc/63/22/89/842632289.db2.gz BZLXQYNQGIXKJJ-PMPSAXMXSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620272 842632295 /nfs/dbraw/zinc/63/22/95/842632295.db2.gz BZLXQYNQGIXKJJ-PMPSAXMXSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088860722 842698328 /nfs/dbraw/zinc/69/83/28/842698328.db2.gz ZBYJOPNYAFKJPR-ZBFHGGJFSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088860722 842698332 /nfs/dbraw/zinc/69/83/32/842698332.db2.gz ZBYJOPNYAFKJPR-ZBFHGGJFSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001088860722 842698335 /nfs/dbraw/zinc/69/83/35/842698335.db2.gz ZBYJOPNYAFKJPR-ZBFHGGJFSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001088860722 842698341 /nfs/dbraw/zinc/69/83/41/842698341.db2.gz ZBYJOPNYAFKJPR-ZBFHGGJFSA-N 2 2 350.507 0.918 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038423 842751314 /nfs/dbraw/zinc/75/13/14/842751314.db2.gz VBSKAUHQPQRBOO-CABCVRRESA-N 2 2 352.504 0.893 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038423 842751319 /nfs/dbraw/zinc/75/13/19/842751319.db2.gz VBSKAUHQPQRBOO-CABCVRRESA-N 2 2 352.504 0.893 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091857813 843116248 /nfs/dbraw/zinc/11/62/48/843116248.db2.gz XXXCQNHJBDJMRC-ZBFHGGJFSA-N 2 2 354.476 0.016 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001091857813 843116253 /nfs/dbraw/zinc/11/62/53/843116253.db2.gz XXXCQNHJBDJMRC-ZBFHGGJFSA-N 2 2 354.476 0.016 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504686 843222833 /nfs/dbraw/zinc/22/28/33/843222833.db2.gz WJOZVKAODGKKKL-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504686 843222844 /nfs/dbraw/zinc/22/28/44/843222844.db2.gz WJOZVKAODGKKKL-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504686 843222856 /nfs/dbraw/zinc/22/28/56/843222856.db2.gz WJOZVKAODGKKKL-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504686 843222863 /nfs/dbraw/zinc/22/28/63/843222863.db2.gz WJOZVKAODGKKKL-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724174 843285269 /nfs/dbraw/zinc/28/52/69/843285269.db2.gz HIGUTSLVDINNAY-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724174 843285276 /nfs/dbraw/zinc/28/52/76/843285276.db2.gz HIGUTSLVDINNAY-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724174 843285284 /nfs/dbraw/zinc/28/52/84/843285284.db2.gz HIGUTSLVDINNAY-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnns2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724174 843285293 /nfs/dbraw/zinc/28/52/93/843285293.db2.gz HIGUTSLVDINNAY-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP COCC[N@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092910833 843337797 /nfs/dbraw/zinc/33/77/97/843337797.db2.gz JYUIZXCPMADHTP-JFIYKMOQSA-N 2 2 353.507 0.960 20 0 FCADLP COCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092910833 843337807 /nfs/dbraw/zinc/33/78/07/843337807.db2.gz JYUIZXCPMADHTP-JFIYKMOQSA-N 2 2 353.507 0.960 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092910833 843337817 /nfs/dbraw/zinc/33/78/17/843337817.db2.gz JYUIZXCPMADHTP-JFIYKMOQSA-N 2 2 353.507 0.960 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092910833 843337827 /nfs/dbraw/zinc/33/78/27/843337827.db2.gz JYUIZXCPMADHTP-JFIYKMOQSA-N 2 2 353.507 0.960 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208773 843407652 /nfs/dbraw/zinc/40/76/52/843407652.db2.gz GDWZYBXWKDBPQC-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208773 843407654 /nfs/dbraw/zinc/40/76/54/843407654.db2.gz GDWZYBXWKDBPQC-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208773 843407659 /nfs/dbraw/zinc/40/76/59/843407659.db2.gz GDWZYBXWKDBPQC-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)C1 ZINC001093208773 843407662 /nfs/dbraw/zinc/40/76/62/843407662.db2.gz GDWZYBXWKDBPQC-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213278 843410347 /nfs/dbraw/zinc/41/03/47/843410347.db2.gz YOKKYZGYMUOKHB-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213278 843410357 /nfs/dbraw/zinc/41/03/57/843410357.db2.gz YOKKYZGYMUOKHB-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213278 843410366 /nfs/dbraw/zinc/41/03/66/843410366.db2.gz YOKKYZGYMUOKHB-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213278 843410377 /nfs/dbraw/zinc/41/03/77/843410377.db2.gz YOKKYZGYMUOKHB-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(OC3C[NH+](CCCF)C3)CC2)O1 ZINC001093545318 843442308 /nfs/dbraw/zinc/44/23/08/843442308.db2.gz DTROMRRMVXKEEK-RHSMWYFYSA-N 2 2 357.470 0.757 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(OC3C[NH+](CCCF)C3)CC2)O1 ZINC001093545318 843442316 /nfs/dbraw/zinc/44/23/16/843442316.db2.gz DTROMRRMVXKEEK-RHSMWYFYSA-N 2 2 357.470 0.757 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001093673195 843453202 /nfs/dbraw/zinc/45/32/02/843453202.db2.gz LLGWRXANFGLIKL-MCIONIFRSA-N 2 2 366.535 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1nsc(N(C)C)n1 ZINC001093673195 843453204 /nfs/dbraw/zinc/45/32/04/843453204.db2.gz LLGWRXANFGLIKL-MCIONIFRSA-N 2 2 366.535 0.882 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093691465 843457304 /nfs/dbraw/zinc/45/73/04/843457304.db2.gz XMVQOWPFOZIOGL-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093691465 843457307 /nfs/dbraw/zinc/45/73/07/843457307.db2.gz XMVQOWPFOZIOGL-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093813341 843473182 /nfs/dbraw/zinc/47/31/82/843473182.db2.gz CZTZSBRDECNYCY-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001093813341 843473185 /nfs/dbraw/zinc/47/31/85/843473185.db2.gz CZTZSBRDECNYCY-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001093857812 843479415 /nfs/dbraw/zinc/47/94/15/843479415.db2.gz ZWZAETASFCRIEK-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001093857812 843479423 /nfs/dbraw/zinc/47/94/23/843479423.db2.gz ZWZAETASFCRIEK-RGCMKSIDSA-N 2 2 353.492 0.441 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001093936677 843493259 /nfs/dbraw/zinc/49/32/59/843493259.db2.gz UIEZKRAAHZRSJU-TVFCKZIOSA-N 2 2 353.507 0.959 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001099245007 843987286 /nfs/dbraw/zinc/98/72/86/843987286.db2.gz UOYRDGXXNMHFAD-GMTAPVOTSA-N 2 2 359.352 0.210 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099263396 843995771 /nfs/dbraw/zinc/99/57/71/843995771.db2.gz RJBBJTPLMDQISK-UPJWGTAASA-N 2 2 365.375 0.762 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001099268439 843997981 /nfs/dbraw/zinc/99/79/81/843997981.db2.gz APMQBSZTQKTCNW-JHJVBQTASA-N 2 2 362.400 0.634 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C(F)(F)F ZINC001099271947 843998875 /nfs/dbraw/zinc/99/88/75/843998875.db2.gz BMCNAHDMMXTLAS-UFGOTCBOSA-N 2 2 364.368 0.710 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)C2 ZINC001099272366 843999187 /nfs/dbraw/zinc/99/91/87/843999187.db2.gz HTZSUIDEWQZBQN-JTNHKYCSSA-N 2 2 360.380 0.794 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)CC2 ZINC001099272366 843999194 /nfs/dbraw/zinc/99/91/94/843999194.db2.gz HTZSUIDEWQZBQN-JTNHKYCSSA-N 2 2 360.380 0.794 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103107135 844701296 /nfs/dbraw/zinc/70/12/96/844701296.db2.gz ZAXYFKQFHRIESD-KLHDSHLOSA-N 2 2 350.463 0.596 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001103107135 844701299 /nfs/dbraw/zinc/70/12/99/844701299.db2.gz ZAXYFKQFHRIESD-KLHDSHLOSA-N 2 2 350.463 0.596 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001103107135 844701302 /nfs/dbraw/zinc/70/13/02/844701302.db2.gz ZAXYFKQFHRIESD-KLHDSHLOSA-N 2 2 350.463 0.596 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001103107135 844701305 /nfs/dbraw/zinc/70/13/05/844701305.db2.gz ZAXYFKQFHRIESD-KLHDSHLOSA-N 2 2 350.463 0.596 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001103271649 844729990 /nfs/dbraw/zinc/72/99/90/844729990.db2.gz YKOLFESPVMRWHW-KZNAEPCWSA-N 2 2 355.523 0.944 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001103271649 844729994 /nfs/dbraw/zinc/72/99/94/844729994.db2.gz YKOLFESPVMRWHW-KZNAEPCWSA-N 2 2 355.523 0.944 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001103271649 844729998 /nfs/dbraw/zinc/72/99/98/844729998.db2.gz YKOLFESPVMRWHW-KZNAEPCWSA-N 2 2 355.523 0.944 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001103271649 844730001 /nfs/dbraw/zinc/73/00/01/844730001.db2.gz YKOLFESPVMRWHW-KZNAEPCWSA-N 2 2 355.523 0.944 20 0 FCADLP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605369 861495072 /nfs/dbraw/zinc/49/50/72/861495072.db2.gz GZCNLYVRQDSFOF-KSSFIOAISA-N 2 2 355.479 0.582 20 0 FCADLP C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605369 861495079 /nfs/dbraw/zinc/49/50/79/861495079.db2.gz GZCNLYVRQDSFOF-KSSFIOAISA-N 2 2 355.479 0.582 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605370 861495720 /nfs/dbraw/zinc/49/57/20/861495720.db2.gz GZCNLYVRQDSFOF-RDTXWAMCSA-N 2 2 355.479 0.582 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605370 861495721 /nfs/dbraw/zinc/49/57/21/861495721.db2.gz GZCNLYVRQDSFOF-RDTXWAMCSA-N 2 2 355.479 0.582 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276608812 861495827 /nfs/dbraw/zinc/49/58/27/861495827.db2.gz FFBRHJSGIZGQLE-CRAIPNDOSA-N 2 2 355.479 0.441 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276608812 861495829 /nfs/dbraw/zinc/49/58/29/861495829.db2.gz FFBRHJSGIZGQLE-CRAIPNDOSA-N 2 2 355.479 0.441 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001276609639 861497062 /nfs/dbraw/zinc/49/70/62/861497062.db2.gz LBEVRAFQOWCCHQ-RDTXWAMCSA-N 2 2 350.463 0.058 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001276609639 861497070 /nfs/dbraw/zinc/49/70/70/861497070.db2.gz LBEVRAFQOWCCHQ-RDTXWAMCSA-N 2 2 350.463 0.058 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276609612 861497148 /nfs/dbraw/zinc/49/71/48/861497148.db2.gz KIYOMZBHORZRCQ-SFHVURJKSA-N 2 2 355.479 0.441 20 0 FCADLP CC(C)OC(=O)CN1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276609612 861497153 /nfs/dbraw/zinc/49/71/53/861497153.db2.gz KIYOMZBHORZRCQ-SFHVURJKSA-N 2 2 355.479 0.441 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001276609637 861497431 /nfs/dbraw/zinc/49/74/31/861497431.db2.gz LBEVRAFQOWCCHQ-KDOFPFPSSA-N 2 2 350.463 0.058 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001276609637 861497435 /nfs/dbraw/zinc/49/74/35/861497435.db2.gz LBEVRAFQOWCCHQ-KDOFPFPSSA-N 2 2 350.463 0.058 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(CC[NH+]3CCCC3)C[C@@]2(F)C1=O ZINC001276610210 861497795 /nfs/dbraw/zinc/49/77/95/861497795.db2.gz CABAHGZRUCYGPQ-DLBZAZTESA-N 2 2 353.417 0.590 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033893 844856177 /nfs/dbraw/zinc/85/61/77/844856177.db2.gz KRZILRJFQZFNDE-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033893 844856181 /nfs/dbraw/zinc/85/61/81/844856181.db2.gz KRZILRJFQZFNDE-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033884 844856559 /nfs/dbraw/zinc/85/65/59/844856559.db2.gz KCBMTQCFVPWXAQ-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033884 844856566 /nfs/dbraw/zinc/85/65/66/844856566.db2.gz KCBMTQCFVPWXAQ-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)co1 ZINC001104034021 844856639 /nfs/dbraw/zinc/85/66/39/844856639.db2.gz PMEMNHFPENRTHB-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)co1 ZINC001104034021 844856647 /nfs/dbraw/zinc/85/66/47/844856647.db2.gz PMEMNHFPENRTHB-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104839786 844950068 /nfs/dbraw/zinc/95/00/68/844950068.db2.gz LZOKPSIJKHLWQH-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[nH]2)[C@H](C)C1 ZINC001106199110 845130609 /nfs/dbraw/zinc/13/06/09/845130609.db2.gz ZOYZFPIRDWTRMI-JHJVBQTASA-N 2 2 356.446 0.374 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C[NH2+]CCF ZINC001106461229 845177849 /nfs/dbraw/zinc/17/78/49/845177849.db2.gz QSOYMFYYHVMZLT-VQHPVUNQSA-N 2 2 357.470 0.520 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001106704751 845229274 /nfs/dbraw/zinc/22/92/74/845229274.db2.gz BJZSXNVMTVJICF-MGPQQGTHSA-N 2 2 356.492 0.317 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106748041 845240471 /nfs/dbraw/zinc/24/04/71/845240471.db2.gz GOWJDDRVYMNUNT-BFHYXJOUSA-N 2 2 356.492 0.317 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106748041 845240483 /nfs/dbraw/zinc/24/04/83/845240483.db2.gz GOWJDDRVYMNUNT-BFHYXJOUSA-N 2 2 356.492 0.317 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877452 845276406 /nfs/dbraw/zinc/27/64/06/845276406.db2.gz YWBYSZRNQGQKOB-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491665 845384385 /nfs/dbraw/zinc/38/43/85/845384385.db2.gz LPUGKIJDHRTAAT-NVXWUHKLSA-N 2 2 368.503 0.679 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491665 845384394 /nfs/dbraw/zinc/38/43/94/845384394.db2.gz LPUGKIJDHRTAAT-NVXWUHKLSA-N 2 2 368.503 0.679 20 0 FCADLP CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001276756337 861583682 /nfs/dbraw/zinc/58/36/82/861583682.db2.gz NMCREZVYFUWZEI-HZPDHXFCSA-N 2 2 357.520 0.581 20 0 FCADLP CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001276756337 861583685 /nfs/dbraw/zinc/58/36/85/861583685.db2.gz NMCREZVYFUWZEI-HZPDHXFCSA-N 2 2 357.520 0.581 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109371578 845639951 /nfs/dbraw/zinc/63/99/51/845639951.db2.gz KHKBTSLHDMOYOL-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109371578 845639954 /nfs/dbraw/zinc/63/99/54/845639954.db2.gz KHKBTSLHDMOYOL-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001109371578 845639955 /nfs/dbraw/zinc/63/99/55/845639955.db2.gz KHKBTSLHDMOYOL-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001109371578 845639959 /nfs/dbraw/zinc/63/99/59/845639959.db2.gz KHKBTSLHDMOYOL-FXUDXRNXSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411720 845647009 /nfs/dbraw/zinc/64/70/09/845647009.db2.gz JSAUZCJTIAWERQ-PMPSAXMXSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411720 845647012 /nfs/dbraw/zinc/64/70/12/845647012.db2.gz JSAUZCJTIAWERQ-PMPSAXMXSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109411720 845647016 /nfs/dbraw/zinc/64/70/16/845647016.db2.gz JSAUZCJTIAWERQ-PMPSAXMXSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109411720 845647021 /nfs/dbraw/zinc/64/70/21/845647021.db2.gz JSAUZCJTIAWERQ-PMPSAXMXSA-N 2 2 372.535 0.132 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410556 845647282 /nfs/dbraw/zinc/64/72/82/845647282.db2.gz JGEPVWPLYGRGIS-SIXLDLHFSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410556 845647286 /nfs/dbraw/zinc/64/72/86/845647286.db2.gz JGEPVWPLYGRGIS-SIXLDLHFSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410556 845647292 /nfs/dbraw/zinc/64/72/92/845647292.db2.gz JGEPVWPLYGRGIS-SIXLDLHFSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001109410556 845647297 /nfs/dbraw/zinc/64/72/97/845647297.db2.gz JGEPVWPLYGRGIS-SIXLDLHFSA-N 2 2 369.531 0.627 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109473132 845668716 /nfs/dbraw/zinc/66/87/16/845668716.db2.gz XDOPCFBIAMIRCF-HLSYRSCKSA-N 2 2 352.435 0.079 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109473132 845668722 /nfs/dbraw/zinc/66/87/22/845668722.db2.gz XDOPCFBIAMIRCF-HLSYRSCKSA-N 2 2 352.435 0.079 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688377 845713680 /nfs/dbraw/zinc/71/36/80/845713680.db2.gz LXOUJZCPOYBWFG-FXUDXRNXSA-N 2 2 374.551 0.233 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688377 845713686 /nfs/dbraw/zinc/71/36/86/845713686.db2.gz LXOUJZCPOYBWFG-FXUDXRNXSA-N 2 2 374.551 0.233 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001109868603 845751496 /nfs/dbraw/zinc/75/14/96/845751496.db2.gz YDNLDRBOBJLBHW-WCVJEAGWSA-N 2 2 359.536 0.730 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001109868603 845751501 /nfs/dbraw/zinc/75/15/01/845751501.db2.gz YDNLDRBOBJLBHW-WCVJEAGWSA-N 2 2 359.536 0.730 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001109927999 845762267 /nfs/dbraw/zinc/76/22/67/845762267.db2.gz BZFUQKHWYZBHGG-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001109927999 845762273 /nfs/dbraw/zinc/76/22/73/845762273.db2.gz BZFUQKHWYZBHGG-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109927999 845762276 /nfs/dbraw/zinc/76/22/76/845762276.db2.gz BZFUQKHWYZBHGG-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109927999 845762281 /nfs/dbraw/zinc/76/22/81/845762281.db2.gz BZFUQKHWYZBHGG-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001110016412 845777739 /nfs/dbraw/zinc/77/77/39/845777739.db2.gz NCRWDBILQODCCA-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001110016412 845777747 /nfs/dbraw/zinc/77/77/47/845777747.db2.gz NCRWDBILQODCCA-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001110016412 845777754 /nfs/dbraw/zinc/77/77/54/845777754.db2.gz NCRWDBILQODCCA-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001110016412 845777763 /nfs/dbraw/zinc/77/77/63/845777763.db2.gz NCRWDBILQODCCA-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101902 845790775 /nfs/dbraw/zinc/79/07/75/845790775.db2.gz KCUGEPYLQOLCMK-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101902 845790783 /nfs/dbraw/zinc/79/07/83/845790783.db2.gz KCUGEPYLQOLCMK-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101902 845790792 /nfs/dbraw/zinc/79/07/92/845790792.db2.gz KCUGEPYLQOLCMK-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101902 845790798 /nfs/dbraw/zinc/79/07/98/845790798.db2.gz KCUGEPYLQOLCMK-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102362 845791816 /nfs/dbraw/zinc/79/18/16/845791816.db2.gz ZRVXHSIAIRIGRT-PMPSAXMXSA-N 2 2 351.495 0.511 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102362 845791823 /nfs/dbraw/zinc/79/18/23/845791823.db2.gz ZRVXHSIAIRIGRT-PMPSAXMXSA-N 2 2 351.495 0.511 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)C1 ZINC001110126017 845800450 /nfs/dbraw/zinc/80/04/50/845800450.db2.gz DKWSNUVASIHKIB-QPSCCSFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)C1 ZINC001110126017 845800459 /nfs/dbraw/zinc/80/04/59/845800459.db2.gz DKWSNUVASIHKIB-QPSCCSFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(F)F)C1 ZINC001110126017 845800462 /nfs/dbraw/zinc/80/04/62/845800462.db2.gz DKWSNUVASIHKIB-QPSCCSFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC(F)F)C1 ZINC001110126017 845800470 /nfs/dbraw/zinc/80/04/70/845800470.db2.gz DKWSNUVASIHKIB-QPSCCSFWSA-N 2 2 361.433 0.710 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110156855 845807874 /nfs/dbraw/zinc/80/78/74/845807874.db2.gz CKGIHWZDQAKQBF-FZKCQIBNSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001110156855 845807878 /nfs/dbraw/zinc/80/78/78/845807878.db2.gz CKGIHWZDQAKQBF-FZKCQIBNSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001110156855 845807881 /nfs/dbraw/zinc/80/78/81/845807881.db2.gz CKGIHWZDQAKQBF-FZKCQIBNSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001110156855 845807885 /nfs/dbraw/zinc/80/78/85/845807885.db2.gz CKGIHWZDQAKQBF-FZKCQIBNSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001110159798 845809246 /nfs/dbraw/zinc/80/92/46/845809246.db2.gz XBTNOTYCTPQIRY-IKGGRYGDSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001110159798 845809248 /nfs/dbraw/zinc/80/92/48/845809248.db2.gz XBTNOTYCTPQIRY-IKGGRYGDSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001110159798 845809251 /nfs/dbraw/zinc/80/92/51/845809251.db2.gz XBTNOTYCTPQIRY-IKGGRYGDSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001110159798 845809253 /nfs/dbraw/zinc/80/92/53/845809253.db2.gz XBTNOTYCTPQIRY-IKGGRYGDSA-N 2 2 350.507 0.917 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794438 861612049 /nfs/dbraw/zinc/61/20/49/861612049.db2.gz JSSPQFWGCGDPLM-APWZRJJASA-N 3 2 354.539 0.754 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794438 861612058 /nfs/dbraw/zinc/61/20/58/861612058.db2.gz JSSPQFWGCGDPLM-APWZRJJASA-N 3 2 354.539 0.754 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569256 845920675 /nfs/dbraw/zinc/92/06/75/845920675.db2.gz HUBFWAQGUZSOBM-VQHPVUNQSA-N 2 2 369.531 0.484 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569256 845920678 /nfs/dbraw/zinc/92/06/78/845920678.db2.gz HUBFWAQGUZSOBM-VQHPVUNQSA-N 2 2 369.531 0.484 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616898 845929670 /nfs/dbraw/zinc/92/96/70/845929670.db2.gz VDGZRFYBSJPNOO-FPCVCCKLSA-N 2 2 356.486 0.866 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616898 845929675 /nfs/dbraw/zinc/92/96/75/845929675.db2.gz VDGZRFYBSJPNOO-FPCVCCKLSA-N 2 2 356.486 0.866 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001110714603 845954061 /nfs/dbraw/zinc/95/40/61/845954061.db2.gz AGOLZBYNNYURLO-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001110714603 845954065 /nfs/dbraw/zinc/95/40/65/845954065.db2.gz AGOLZBYNNYURLO-VQHPVUNQSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001110942536 846001307 /nfs/dbraw/zinc/00/13/07/846001307.db2.gz QHJKXERZANMYEA-SIRPWMCASA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001110942536 846001312 /nfs/dbraw/zinc/00/13/12/846001312.db2.gz QHJKXERZANMYEA-SIRPWMCASA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001110942536 846001318 /nfs/dbraw/zinc/00/13/18/846001318.db2.gz QHJKXERZANMYEA-SIRPWMCASA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001110942536 846001320 /nfs/dbraw/zinc/00/13/20/846001320.db2.gz QHJKXERZANMYEA-SIRPWMCASA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)CS(C)(=O)=O ZINC001110976497 846007144 /nfs/dbraw/zinc/00/71/44/846007144.db2.gz OTRILQJQEMXVER-DZUCGIPZSA-N 2 2 371.547 0.730 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2)CS(C)(=O)=O ZINC001110976497 846007148 /nfs/dbraw/zinc/00/71/48/846007148.db2.gz OTRILQJQEMXVER-DZUCGIPZSA-N 2 2 371.547 0.730 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180623 846054736 /nfs/dbraw/zinc/05/47/36/846054736.db2.gz GBBYEHWJHWYWJE-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180623 846054747 /nfs/dbraw/zinc/05/47/47/846054747.db2.gz GBBYEHWJHWYWJE-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217032 846064490 /nfs/dbraw/zinc/06/44/90/846064490.db2.gz CJZYBKJKOHGOEX-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217032 846064495 /nfs/dbraw/zinc/06/44/95/846064495.db2.gz CJZYBKJKOHGOEX-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111308845 846082059 /nfs/dbraw/zinc/08/20/59/846082059.db2.gz ADHOHAXUFBDLEO-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111308845 846082065 /nfs/dbraw/zinc/08/20/65/846082065.db2.gz ADHOHAXUFBDLEO-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111308845 846082070 /nfs/dbraw/zinc/08/20/70/846082070.db2.gz ADHOHAXUFBDLEO-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001111308845 846082076 /nfs/dbraw/zinc/08/20/76/846082076.db2.gz ADHOHAXUFBDLEO-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001111309811 846084854 /nfs/dbraw/zinc/08/48/54/846084854.db2.gz YEYCGRZYGNQUOW-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001111309811 846084861 /nfs/dbraw/zinc/08/48/61/846084861.db2.gz YEYCGRZYGNQUOW-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001111309811 846084867 /nfs/dbraw/zinc/08/48/67/846084867.db2.gz YEYCGRZYGNQUOW-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001111309811 846084873 /nfs/dbraw/zinc/08/48/73/846084873.db2.gz YEYCGRZYGNQUOW-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463241 846117813 /nfs/dbraw/zinc/11/78/13/846117813.db2.gz GFMMDYVXCRBMLP-XLMAVXFVSA-N 2 2 350.507 0.964 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463241 846117818 /nfs/dbraw/zinc/11/78/18/846117818.db2.gz GFMMDYVXCRBMLP-XLMAVXFVSA-N 2 2 350.507 0.964 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835664 846228237 /nfs/dbraw/zinc/22/82/37/846228237.db2.gz JSMWCRLXKBPTAR-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835664 846228250 /nfs/dbraw/zinc/22/82/50/846228250.db2.gz JSMWCRLXKBPTAR-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111835664 846228258 /nfs/dbraw/zinc/22/82/58/846228258.db2.gz JSMWCRLXKBPTAR-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111835664 846228264 /nfs/dbraw/zinc/22/82/64/846228264.db2.gz JSMWCRLXKBPTAR-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111899687 846252060 /nfs/dbraw/zinc/25/20/60/846252060.db2.gz SJYZYEDLRBFVCJ-VKJFTORMSA-N 2 2 350.463 0.568 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111899687 846252071 /nfs/dbraw/zinc/25/20/71/846252071.db2.gz SJYZYEDLRBFVCJ-VKJFTORMSA-N 2 2 350.463 0.568 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111899687 846252079 /nfs/dbraw/zinc/25/20/79/846252079.db2.gz SJYZYEDLRBFVCJ-VKJFTORMSA-N 2 2 350.463 0.568 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111899687 846252088 /nfs/dbraw/zinc/25/20/88/846252088.db2.gz SJYZYEDLRBFVCJ-VKJFTORMSA-N 2 2 350.463 0.568 20 0 FCADLP CCC(=O)C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276873850 861663357 /nfs/dbraw/zinc/66/33/57/861663357.db2.gz WQDMHJZGRJRGSZ-LJQANCHMSA-N 2 2 350.507 0.670 20 0 FCADLP CCC(=O)C[N@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276873850 861663360 /nfs/dbraw/zinc/66/33/60/861663360.db2.gz WQDMHJZGRJRGSZ-LJQANCHMSA-N 2 2 350.507 0.670 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075672 846353981 /nfs/dbraw/zinc/35/39/81/846353981.db2.gz NSWQZSXXOFZLFX-MGPQQGTHSA-N 2 2 367.412 0.721 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075672 846353991 /nfs/dbraw/zinc/35/39/91/846353991.db2.gz NSWQZSXXOFZLFX-MGPQQGTHSA-N 2 2 367.412 0.721 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075671 846354994 /nfs/dbraw/zinc/35/49/94/846354994.db2.gz NSWQZSXXOFZLFX-MCIONIFRSA-N 2 2 367.412 0.721 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075671 846354995 /nfs/dbraw/zinc/35/49/95/846354995.db2.gz NSWQZSXXOFZLFX-MCIONIFRSA-N 2 2 367.412 0.721 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090647 846371317 /nfs/dbraw/zinc/37/13/17/846371317.db2.gz QPXHBQHTPOWNQH-IJLUTSLNSA-N 2 2 364.368 0.329 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112123500 846401199 /nfs/dbraw/zinc/40/11/99/846401199.db2.gz MPVKKQFKPKFESX-YNEHKIRRSA-N 2 2 360.380 0.807 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C(F)(F)F)nn1 ZINC001112154218 846421426 /nfs/dbraw/zinc/42/14/26/846421426.db2.gz AMRKROZMEOAKJN-CHWSQXEVSA-N 2 2 362.400 0.636 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217226 846472510 /nfs/dbraw/zinc/47/25/10/846472510.db2.gz HITMKLNACKMZPH-CHWSQXEVSA-N 2 2 364.368 0.525 20 0 FCADLP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112535982 846516895 /nfs/dbraw/zinc/51/68/95/846516895.db2.gz KWPSLKBUIQGPEC-YJBOKZPZSA-N 2 2 350.463 0.834 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC3CC(F)(F)C3)CC2)CC1 ZINC001117170724 846919280 /nfs/dbraw/zinc/91/92/80/846919280.db2.gz QSRGHWCAESOLDX-UHFFFAOYSA-N 2 2 358.433 0.575 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C)CCCC3)C2)CC1 ZINC001117365435 846982939 /nfs/dbraw/zinc/98/29/39/846982939.db2.gz LSUIXEXHUYKODS-OAHLLOKOSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C)CCCC3)C2)CC1 ZINC001117365435 846982942 /nfs/dbraw/zinc/98/29/42/846982942.db2.gz LSUIXEXHUYKODS-OAHLLOKOSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCN(Cc2cccc(CNC(=O)NCC(F)(F)C[NH3+])c2)CC1 ZINC001117966360 847233252 /nfs/dbraw/zinc/23/32/52/847233252.db2.gz PVSJNMMPFBURGN-UHFFFAOYSA-N 2 2 355.433 0.827 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118236291 847338071 /nfs/dbraw/zinc/33/80/71/847338071.db2.gz YBFCJFZDTCRGKI-NUEKZKHPSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118236291 847338076 /nfs/dbraw/zinc/33/80/76/847338076.db2.gz YBFCJFZDTCRGKI-NUEKZKHPSA-N 2 2 368.547 0.624 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)on1 ZINC001119517460 847871107 /nfs/dbraw/zinc/87/11/07/847871107.db2.gz UOTMTQYJVSZGJN-AWEZNQCLSA-N 2 2 352.435 0.347 20 0 FCADLP CC[NH+](CC)C1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001123715872 848628678 /nfs/dbraw/zinc/62/86/78/848628678.db2.gz ZNDDBHGRNXBUOL-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CC[NH+](CC)C1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001123715872 848628679 /nfs/dbraw/zinc/62/86/79/848628679.db2.gz ZNDDBHGRNXBUOL-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129060376 848802774 /nfs/dbraw/zinc/80/27/74/848802774.db2.gz OOPQHTSXGVTICV-TXUBFAOLSA-N 2 2 354.886 0.958 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129060376 848802780 /nfs/dbraw/zinc/80/27/80/848802780.db2.gz OOPQHTSXGVTICV-TXUBFAOLSA-N 2 2 354.886 0.958 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129407583 848841079 /nfs/dbraw/zinc/84/10/79/848841079.db2.gz QYZFSGULMHZIRH-OLZOCXBDSA-N 2 2 362.400 0.914 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129407583 848841082 /nfs/dbraw/zinc/84/10/82/848841082.db2.gz QYZFSGULMHZIRH-OLZOCXBDSA-N 2 2 362.400 0.914 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129407583 848841085 /nfs/dbraw/zinc/84/10/85/848841085.db2.gz QYZFSGULMHZIRH-OLZOCXBDSA-N 2 2 362.400 0.914 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129407583 848841091 /nfs/dbraw/zinc/84/10/91/848841091.db2.gz QYZFSGULMHZIRH-OLZOCXBDSA-N 2 2 362.400 0.914 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130251286 848988922 /nfs/dbraw/zinc/98/89/22/848988922.db2.gz LLFWAKJWHXTKGM-STQMWFEESA-N 2 2 356.446 0.194 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130251286 848988927 /nfs/dbraw/zinc/98/89/27/848988927.db2.gz LLFWAKJWHXTKGM-STQMWFEESA-N 2 2 356.446 0.194 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130251286 848988930 /nfs/dbraw/zinc/98/89/30/848988930.db2.gz LLFWAKJWHXTKGM-STQMWFEESA-N 2 2 356.446 0.194 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130251286 848988935 /nfs/dbraw/zinc/98/89/35/848988935.db2.gz LLFWAKJWHXTKGM-STQMWFEESA-N 2 2 356.446 0.194 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]2)O1 ZINC001130790134 849044519 /nfs/dbraw/zinc/04/45/19/849044519.db2.gz JLWYECVFUWWCIK-BFHYXJOUSA-N 2 2 352.483 0.981 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130812075 849047347 /nfs/dbraw/zinc/04/73/47/849047347.db2.gz ZUSAKYLHKDVOTP-QWHCGFSZSA-N 2 2 356.446 0.542 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131573298 849125814 /nfs/dbraw/zinc/12/58/14/849125814.db2.gz WBCRSAOLSKVGJE-QBIMZIAESA-N 2 2 350.463 0.973 20 0 FCADLP O=C(NCC[NH2+]Cc1ccsc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613851 849130997 /nfs/dbraw/zinc/13/09/97/849130997.db2.gz PNQVSWWENOVJQV-CVEARBPZSA-N 2 2 353.488 0.834 20 0 FCADLP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131621127 849132276 /nfs/dbraw/zinc/13/22/76/849132276.db2.gz QUIQYDKHJVUZLO-AEFFLSMTSA-N 2 2 350.463 0.905 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001134049404 849171390 /nfs/dbraw/zinc/17/13/90/849171390.db2.gz FYVLKSXBANDPAJ-BFHYXJOUSA-N 2 2 354.476 0.054 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001134049405 849171464 /nfs/dbraw/zinc/17/14/64/849171464.db2.gz FYVLKSXBANDPAJ-MGPQQGTHSA-N 2 2 354.476 0.054 20 0 FCADLP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(S(C)(=O)=O)nc3)CC2)CC1 ZINC001139638710 849343791 /nfs/dbraw/zinc/34/37/91/849343791.db2.gz HSEXQPKFXMPZRQ-UHFFFAOYSA-N 2 2 366.531 0.945 20 0 FCADLP CCCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733901 862047956 /nfs/dbraw/zinc/04/79/56/862047956.db2.gz HGORIIANLBPEQX-AEFFLSMTSA-N 2 2 350.463 0.738 20 0 FCADLP CCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277733901 862047969 /nfs/dbraw/zinc/04/79/69/862047969.db2.gz HGORIIANLBPEQX-AEFFLSMTSA-N 2 2 350.463 0.738 20 0 FCADLP CN1CCOc2c(Cl)nnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c21 ZINC001155375455 849849161 /nfs/dbraw/zinc/84/91/61/849849161.db2.gz DPMLHTUCYXEMDK-LBPRGKRZSA-N 2 2 352.870 0.818 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001159077336 850095115 /nfs/dbraw/zinc/09/51/15/850095115.db2.gz OUENYESKXXZVIT-BFQNTYOBSA-N 2 2 363.405 0.224 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832234 850139382 /nfs/dbraw/zinc/13/93/82/850139382.db2.gz BHDMWEKCIHTGAZ-HZSPNIEDSA-N 2 2 352.460 0.456 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832234 850139386 /nfs/dbraw/zinc/13/93/86/850139386.db2.gz BHDMWEKCIHTGAZ-HZSPNIEDSA-N 2 2 352.460 0.456 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834269 850139705 /nfs/dbraw/zinc/13/97/05/850139705.db2.gz UODOINIOFYUXRN-GDBMZVCRSA-N 3 2 363.531 0.908 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834269 850139713 /nfs/dbraw/zinc/13/97/13/850139713.db2.gz UODOINIOFYUXRN-GDBMZVCRSA-N 3 2 363.531 0.908 20 0 FCADLP O=C(NCCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326512 850166297 /nfs/dbraw/zinc/16/62/97/850166297.db2.gz MCAQHLKRDYPFBS-BFHYXJOUSA-N 2 2 354.476 0.434 20 0 FCADLP O=C(NCCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326512 850166301 /nfs/dbraw/zinc/16/63/01/850166301.db2.gz MCAQHLKRDYPFBS-BFHYXJOUSA-N 2 2 354.476 0.434 20 0 FCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C[C@H](O)C[NH3+])CC[C@@H]3C2)cs1 ZINC001160334943 850167258 /nfs/dbraw/zinc/16/72/58/850167258.db2.gz ISLAJUAPDSDPAL-VNQPRFMTSA-N 2 2 368.503 0.211 20 0 FCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C[C@H](O)C[NH3+])CC[C@@H]3C2)cs1 ZINC001160334943 850167263 /nfs/dbraw/zinc/16/72/63/850167263.db2.gz ISLAJUAPDSDPAL-VNQPRFMTSA-N 2 2 368.503 0.211 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NCc1cccs1 ZINC001160332247 850167473 /nfs/dbraw/zinc/16/74/73/850167473.db2.gz LNVQNJLZJYFIDW-ZIAGYGMSSA-N 2 2 361.471 0.987 20 0 FCADLP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NCc1cccs1 ZINC001160332247 850167478 /nfs/dbraw/zinc/16/74/78/850167478.db2.gz LNVQNJLZJYFIDW-ZIAGYGMSSA-N 2 2 361.471 0.987 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336968 850168642 /nfs/dbraw/zinc/16/86/42/850168642.db2.gz PNYZBYTXQMGTLV-GHMZBOCLSA-N 2 2 361.368 0.630 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336968 850168647 /nfs/dbraw/zinc/16/86/47/850168647.db2.gz PNYZBYTXQMGTLV-GHMZBOCLSA-N 2 2 361.368 0.630 20 0 FCADLP O=C(N1CCC(Oc2cc(Cl)ncn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160506605 850177668 /nfs/dbraw/zinc/17/76/68/850177668.db2.gz OLZBJRYKSZDBGM-BDJLRTHQSA-N 2 2 351.838 0.451 20 0 FCADLP [NH3+]C[C@@]1(Nc2ncccc2S(=O)(=O)N2CCCC2)C[NH+]2CCC1CC2 ZINC001160513291 850178353 /nfs/dbraw/zinc/17/83/53/850178353.db2.gz MEOGNFWBIMZSHU-QGZVFWFLSA-N 2 2 365.503 0.701 20 0 FCADLP Nc1ccc(Br)c2c1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160846828 850203184 /nfs/dbraw/zinc/20/31/84/850203184.db2.gz OTDFVIGOEJBAJM-QFYYESIMSA-N 2 2 365.275 0.868 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(C3CCC3)no2)O1 ZINC001160851032 850204100 /nfs/dbraw/zinc/20/41/00/850204100.db2.gz MXZIQDWXNASSLK-TZMCWYRMSA-N 2 2 351.451 0.652 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(C3CCC3)no2)O1 ZINC001160851032 850204115 /nfs/dbraw/zinc/20/41/15/850204115.db2.gz MXZIQDWXNASSLK-TZMCWYRMSA-N 2 2 351.451 0.652 20 0 FCADLP CC(C)c1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001160851090 850204542 /nfs/dbraw/zinc/20/45/42/850204542.db2.gz QHJRDUDUNVGPMR-CHWSQXEVSA-N 2 2 355.508 0.977 20 0 FCADLP CC(C)c1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001160851090 850204547 /nfs/dbraw/zinc/20/45/47/850204547.db2.gz QHJRDUDUNVGPMR-CHWSQXEVSA-N 2 2 355.508 0.977 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC001160858005 850207371 /nfs/dbraw/zinc/20/73/71/850207371.db2.gz WDEBHSIDNRSRHJ-BXUZGUMPSA-N 2 2 369.491 0.417 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC001160858005 850207382 /nfs/dbraw/zinc/20/73/82/850207382.db2.gz WDEBHSIDNRSRHJ-BXUZGUMPSA-N 2 2 369.491 0.417 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H](c2ccsc2)N2CCC[C@H]([NH3+])C2)C1 ZINC001161138591 850232305 /nfs/dbraw/zinc/23/23/05/850232305.db2.gz WQKNBTQDNKUGHS-VBQJREDUSA-N 2 2 366.487 0.315 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)CC1 ZINC001161379254 850255311 /nfs/dbraw/zinc/25/53/11/850255311.db2.gz CXDZLVKDIUQEKV-AWEZNQCLSA-N 3 2 364.519 0.190 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3csc(N4CC[NH2+]CC4)n3)C2)CC1 ZINC001161379261 850255627 /nfs/dbraw/zinc/25/56/27/850255627.db2.gz CXDZLVKDIUQEKV-CQSZACIVSA-N 3 2 364.519 0.190 20 0 FCADLP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423745 850257730 /nfs/dbraw/zinc/25/77/30/850257730.db2.gz LXXHIIFXLZWHNZ-JKSUJKDBSA-N 2 2 362.499 0.280 20 0 FCADLP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423745 850257741 /nfs/dbraw/zinc/25/77/41/850257741.db2.gz LXXHIIFXLZWHNZ-JKSUJKDBSA-N 2 2 362.499 0.280 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161466914 850261134 /nfs/dbraw/zinc/26/11/34/850261134.db2.gz ALXLPZPKBKTGHY-UONOGXRCSA-N 2 2 360.449 0.808 20 0 FCADLP O=C(NCCC[NH2+]Cc1ccon1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996075 850341752 /nfs/dbraw/zinc/34/17/52/850341752.db2.gz LWIPFDUDVPJJFC-CVEARBPZSA-N 2 2 352.435 0.150 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCOC[C@](O)(C(F)(F)F)C3)[nH+]2)CC1 ZINC001164296077 850403665 /nfs/dbraw/zinc/40/36/65/850403665.db2.gz VZSSMQOMNLHUBO-HNNXBMFYSA-N 2 2 360.380 0.963 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001277836961 862124694 /nfs/dbraw/zinc/12/46/94/862124694.db2.gz SXXALIMMBOBRAW-ZJIFWQFVSA-N 2 2 354.495 0.018 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001277836961 862124700 /nfs/dbraw/zinc/12/47/00/862124700.db2.gz SXXALIMMBOBRAW-ZJIFWQFVSA-N 2 2 354.495 0.018 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCN([C@H](C)C(C)=O)C2=O)CC1 ZINC001277837503 862124747 /nfs/dbraw/zinc/12/47/47/862124747.db2.gz YUZVMFLUQUSQKL-NVXWUHKLSA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC001168737105 850593023 /nfs/dbraw/zinc/59/30/23/850593023.db2.gz VKCASZZRZPZZRH-UHFFFAOYSA-N 2 2 352.464 0.364 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2(C[NH3+])CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170033682 850643787 /nfs/dbraw/zinc/64/37/87/850643787.db2.gz HNLSTTZCIHYVJM-OLZOCXBDSA-N 2 2 370.519 0.978 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173569309 850727921 /nfs/dbraw/zinc/72/79/21/850727921.db2.gz GDYUSGRYHVEPIZ-UGQVUOCMSA-N 2 2 354.447 0.570 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C[C@@H]1C(=O)OC ZINC001173569309 850727925 /nfs/dbraw/zinc/72/79/25/850727925.db2.gz GDYUSGRYHVEPIZ-UGQVUOCMSA-N 2 2 354.447 0.570 20 0 FCADLP Cc1noc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001178810251 850932942 /nfs/dbraw/zinc/93/29/42/850932942.db2.gz AFZWLPOODYNRCL-UKRRQHHQSA-N 2 2 353.467 0.863 20 0 FCADLP Cc1noc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001178810251 850932946 /nfs/dbraw/zinc/93/29/46/850932946.db2.gz AFZWLPOODYNRCL-UKRRQHHQSA-N 2 2 353.467 0.863 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187432550 851565407 /nfs/dbraw/zinc/56/54/07/851565407.db2.gz UBQRKMVNWBZBSM-RCCFBDPRSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187432550 851565414 /nfs/dbraw/zinc/56/54/14/851565414.db2.gz UBQRKMVNWBZBSM-RCCFBDPRSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001187432550 851565418 /nfs/dbraw/zinc/56/54/18/851565418.db2.gz UBQRKMVNWBZBSM-RCCFBDPRSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001187432550 851565425 /nfs/dbraw/zinc/56/54/25/851565425.db2.gz UBQRKMVNWBZBSM-RCCFBDPRSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126442 851755055 /nfs/dbraw/zinc/75/50/55/851755055.db2.gz IOEYARNHCGXDND-YESZJQIVSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126442 851755064 /nfs/dbraw/zinc/75/50/64/851755064.db2.gz IOEYARNHCGXDND-YESZJQIVSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126442 851755070 /nfs/dbraw/zinc/75/50/70/851755070.db2.gz IOEYARNHCGXDND-YESZJQIVSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126442 851755077 /nfs/dbraw/zinc/75/50/77/851755077.db2.gz IOEYARNHCGXDND-YESZJQIVSA-N 2 2 350.507 0.633 20 0 FCADLP COCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001278276153 862285922 /nfs/dbraw/zinc/28/59/22/862285922.db2.gz GGUPBJLLOOSBPI-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP COCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001278276153 862285937 /nfs/dbraw/zinc/28/59/37/862285937.db2.gz GGUPBJLLOOSBPI-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP Cc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189819849 851828069 /nfs/dbraw/zinc/82/80/69/851828069.db2.gz BANPUTURFXTZJS-VHDGCEQUSA-N 2 2 351.451 0.550 20 0 FCADLP Cc1noc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189819849 851828072 /nfs/dbraw/zinc/82/80/72/851828072.db2.gz BANPUTURFXTZJS-VHDGCEQUSA-N 2 2 351.451 0.550 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792162 852489423 /nfs/dbraw/zinc/48/94/23/852489423.db2.gz ZTLZKVTZDGINGD-INMHGKMJSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792162 852489427 /nfs/dbraw/zinc/48/94/27/852489427.db2.gz ZTLZKVTZDGINGD-INMHGKMJSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193791014 852489489 /nfs/dbraw/zinc/48/94/89/852489489.db2.gz AVVOAVBLGHCADD-IAGOWNOFSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193791014 852489491 /nfs/dbraw/zinc/48/94/91/852489491.db2.gz AVVOAVBLGHCADD-IAGOWNOFSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791014 852489495 /nfs/dbraw/zinc/48/94/95/852489495.db2.gz AVVOAVBLGHCADD-IAGOWNOFSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791014 852489499 /nfs/dbraw/zinc/48/94/99/852489499.db2.gz AVVOAVBLGHCADD-IAGOWNOFSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)sn1 ZINC001193892466 852502647 /nfs/dbraw/zinc/50/26/47/852502647.db2.gz OSTHVYZFBDWWGQ-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)sn1 ZINC001193892466 852502653 /nfs/dbraw/zinc/50/26/53/852502653.db2.gz OSTHVYZFBDWWGQ-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)sn1 ZINC001193892466 852502659 /nfs/dbraw/zinc/50/26/59/852502659.db2.gz OSTHVYZFBDWWGQ-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)sn1 ZINC001193892466 852502667 /nfs/dbraw/zinc/50/26/67/852502667.db2.gz OSTHVYZFBDWWGQ-NUEKZKHPSA-N 2 2 352.504 0.987 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244228 852564512 /nfs/dbraw/zinc/56/45/12/852564512.db2.gz LPKVCLFALXXGKQ-BZUAXINKSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244228 852564519 /nfs/dbraw/zinc/56/45/19/852564519.db2.gz LPKVCLFALXXGKQ-BZUAXINKSA-N 2 2 350.463 0.422 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289682 852573134 /nfs/dbraw/zinc/57/31/34/852573134.db2.gz LLPNYBGVFQDDNE-HZPDHXFCSA-N 2 2 361.471 0.726 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194289682 852573143 /nfs/dbraw/zinc/57/31/43/852573143.db2.gz LLPNYBGVFQDDNE-HZPDHXFCSA-N 2 2 361.471 0.726 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194299168 852575327 /nfs/dbraw/zinc/57/53/27/852575327.db2.gz RLDZVSSLOFWMEX-RBSFLKMASA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194299168 852575332 /nfs/dbraw/zinc/57/53/32/852575332.db2.gz RLDZVSSLOFWMEX-RBSFLKMASA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194299168 852575337 /nfs/dbraw/zinc/57/53/37/852575337.db2.gz RLDZVSSLOFWMEX-RBSFLKMASA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194299168 852575342 /nfs/dbraw/zinc/57/53/42/852575342.db2.gz RLDZVSSLOFWMEX-RBSFLKMASA-N 2 2 354.495 0.065 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001194729418 852639879 /nfs/dbraw/zinc/63/98/79/852639879.db2.gz XOCVPZBIBUTHSP-ZIAGYGMSSA-N 2 2 354.357 0.391 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001194729418 852639881 /nfs/dbraw/zinc/63/98/81/852639881.db2.gz XOCVPZBIBUTHSP-ZIAGYGMSSA-N 2 2 354.357 0.391 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195640156 852802832 /nfs/dbraw/zinc/80/28/32/852802832.db2.gz BBWNHBUDAPGNNV-VXGBXAGGSA-N 2 2 353.385 0.068 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001195640156 852802840 /nfs/dbraw/zinc/80/28/40/852802840.db2.gz BBWNHBUDAPGNNV-VXGBXAGGSA-N 2 2 353.385 0.068 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cs1 ZINC001195981509 852860022 /nfs/dbraw/zinc/86/00/22/852860022.db2.gz UGPZDOZVRYITGT-BZUAXINKSA-N 2 2 354.520 0.742 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001196090432 852888958 /nfs/dbraw/zinc/88/89/58/852888958.db2.gz HYPLZWBFSRFUOY-NUEKZKHPSA-N 2 2 350.463 0.806 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269318 852929650 /nfs/dbraw/zinc/92/96/50/852929650.db2.gz SMFKRQBVKCPQEL-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269318 852929656 /nfs/dbraw/zinc/92/96/56/852929656.db2.gz SMFKRQBVKCPQEL-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196269318 852929661 /nfs/dbraw/zinc/92/96/61/852929661.db2.gz SMFKRQBVKCPQEL-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196269318 852929664 /nfs/dbraw/zinc/92/96/64/852929664.db2.gz SMFKRQBVKCPQEL-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197057892 853054492 /nfs/dbraw/zinc/05/44/92/853054492.db2.gz LFTKPNIZALTIRN-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001197057892 853054498 /nfs/dbraw/zinc/05/44/98/853054498.db2.gz LFTKPNIZALTIRN-IAGOWNOFSA-N 2 2 353.438 0.321 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198020231 853205491 /nfs/dbraw/zinc/20/54/91/853205491.db2.gz JMUSRFCZWHGNRY-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198020231 853205496 /nfs/dbraw/zinc/20/54/96/853205496.db2.gz JMUSRFCZWHGNRY-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198020231 853205500 /nfs/dbraw/zinc/20/55/00/853205500.db2.gz JMUSRFCZWHGNRY-HZPDHXFCSA-N 2 2 356.511 0.135 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001198038457 853209503 /nfs/dbraw/zinc/20/95/03/853209503.db2.gz SMLCQOJIJAXYQA-HUUCEWRRSA-N 2 2 357.886 0.430 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001198038457 853209512 /nfs/dbraw/zinc/20/95/12/853209512.db2.gz SMLCQOJIJAXYQA-HUUCEWRRSA-N 2 2 357.886 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001198038457 853209521 /nfs/dbraw/zinc/20/95/21/853209521.db2.gz SMLCQOJIJAXYQA-HUUCEWRRSA-N 2 2 357.886 0.430 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001198038457 853209528 /nfs/dbraw/zinc/20/95/28/853209528.db2.gz SMLCQOJIJAXYQA-HUUCEWRRSA-N 2 2 357.886 0.430 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O ZINC001198699100 853303951 /nfs/dbraw/zinc/30/39/51/853303951.db2.gz IURHXKDDRLGDIU-FVQBIDKESA-N 2 2 353.488 0.378 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001198699100 853303955 /nfs/dbraw/zinc/30/39/55/853303955.db2.gz IURHXKDDRLGDIU-FVQBIDKESA-N 2 2 353.488 0.378 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729532 853308962 /nfs/dbraw/zinc/30/89/62/853308962.db2.gz QRYWNHKDIMTBJI-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729532 853308974 /nfs/dbraw/zinc/30/89/74/853308974.db2.gz QRYWNHKDIMTBJI-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104470 853370566 /nfs/dbraw/zinc/37/05/66/853370566.db2.gz MXZVAEZNLPWJJR-BZUAXINKSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104470 853370574 /nfs/dbraw/zinc/37/05/74/853370574.db2.gz MXZVAEZNLPWJJR-BZUAXINKSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104470 853370589 /nfs/dbraw/zinc/37/05/89/853370589.db2.gz MXZVAEZNLPWJJR-BZUAXINKSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104470 853370599 /nfs/dbraw/zinc/37/05/99/853370599.db2.gz MXZVAEZNLPWJJR-BZUAXINKSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001199104404 853371605 /nfs/dbraw/zinc/37/16/05/853371605.db2.gz LULFKJOUOVQVQR-IXDOHACOSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001199104404 853371608 /nfs/dbraw/zinc/37/16/08/853371608.db2.gz LULFKJOUOVQVQR-IXDOHACOSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001199104404 853371616 /nfs/dbraw/zinc/37/16/16/853371616.db2.gz LULFKJOUOVQVQR-IXDOHACOSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001199104404 853371622 /nfs/dbraw/zinc/37/16/22/853371622.db2.gz LULFKJOUOVQVQR-IXDOHACOSA-N 2 2 353.438 0.361 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCC(=O)NCC(F)(F)F)CC1 ZINC001199359799 853413998 /nfs/dbraw/zinc/41/39/98/853413998.db2.gz KFUHQYCXWDLNHU-UHFFFAOYSA-N 2 2 359.352 0.242 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001199398493 853419514 /nfs/dbraw/zinc/41/95/14/853419514.db2.gz SAWGOMFPMRREPR-BHUNQDJPSA-N 2 2 350.463 0.640 20 0 FCADLP CCOC(=O)C1(NC(=S)NCCC[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC001199955979 853469124 /nfs/dbraw/zinc/46/91/24/853469124.db2.gz GQJDBQJTUZWSFK-UHFFFAOYSA-N 2 2 372.535 0.200 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993600 853778488 /nfs/dbraw/zinc/77/84/88/853778488.db2.gz ZPYFYDKMWVGROX-QBPKDAKJSA-N 2 2 373.563 0.976 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993600 853778492 /nfs/dbraw/zinc/77/84/92/853778492.db2.gz ZPYFYDKMWVGROX-QBPKDAKJSA-N 2 2 373.563 0.976 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206993600 853778497 /nfs/dbraw/zinc/77/84/97/853778497.db2.gz ZPYFYDKMWVGROX-QBPKDAKJSA-N 2 2 373.563 0.976 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206993600 853778500 /nfs/dbraw/zinc/77/85/00/853778500.db2.gz ZPYFYDKMWVGROX-QBPKDAKJSA-N 2 2 373.563 0.976 20 0 FCADLP COCCN1CC[N@H+](C)C2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207279322 853796571 /nfs/dbraw/zinc/79/65/71/853796571.db2.gz KLAKVANAUMVVDG-UHFFFAOYSA-N 2 2 354.539 0.829 20 0 FCADLP COCCN1CC[N@@H+](C)C2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207279322 853796575 /nfs/dbraw/zinc/79/65/75/853796575.db2.gz KLAKVANAUMVVDG-UHFFFAOYSA-N 2 2 354.539 0.829 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CC1 ZINC001207541215 853822587 /nfs/dbraw/zinc/82/25/87/853822587.db2.gz ZBIOLVFACBSWNF-IIAWOOMASA-N 2 2 350.507 0.822 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)C1CC1 ZINC001207541215 853822590 /nfs/dbraw/zinc/82/25/90/853822590.db2.gz ZBIOLVFACBSWNF-IIAWOOMASA-N 2 2 350.507 0.822 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C)[NH+](C)C ZINC001207698334 853843350 /nfs/dbraw/zinc/84/33/50/853843350.db2.gz ZLVPZMNGCFJYDN-RBSFLKMASA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C)[NH+](C)C ZINC001207698334 853843353 /nfs/dbraw/zinc/84/33/53/853843353.db2.gz ZLVPZMNGCFJYDN-RBSFLKMASA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247590 853906534 /nfs/dbraw/zinc/90/65/34/853906534.db2.gz OIPFNRXVZUKFSZ-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247590 853906538 /nfs/dbraw/zinc/90/65/38/853906538.db2.gz OIPFNRXVZUKFSZ-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250276 853907311 /nfs/dbraw/zinc/90/73/11/853907311.db2.gz CRKUPARKHNIILH-IXDOHACOSA-N 2 2 352.479 0.743 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250276 853907318 /nfs/dbraw/zinc/90/73/18/853907318.db2.gz CRKUPARKHNIILH-IXDOHACOSA-N 2 2 352.479 0.743 20 0 FCADLP COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208669600 853965846 /nfs/dbraw/zinc/96/58/46/853965846.db2.gz CYINHZRFOBNFPX-BBWFWOEESA-N 2 2 355.479 0.093 20 0 FCADLP COCCC[N@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001209052157 853993735 /nfs/dbraw/zinc/99/37/35/853993735.db2.gz RPOYXNSREMPPBO-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP COCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001209052157 853993736 /nfs/dbraw/zinc/99/37/36/853993736.db2.gz RPOYXNSREMPPBO-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506603 854033080 /nfs/dbraw/zinc/03/30/80/854033080.db2.gz NMDRFVHHECGMNV-RHSMWYFYSA-N 2 2 350.438 0.880 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506603 854033077 /nfs/dbraw/zinc/03/30/77/854033077.db2.gz NMDRFVHHECGMNV-RHSMWYFYSA-N 2 2 350.438 0.880 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cncs3)CC2)C1=O ZINC001209546451 854036576 /nfs/dbraw/zinc/03/65/76/854036576.db2.gz FNMXDMTWCPBHNL-UHFFFAOYSA-N 2 2 351.520 0.813 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cncs3)CC2)C1=O ZINC001209546451 854036580 /nfs/dbraw/zinc/03/65/80/854036580.db2.gz FNMXDMTWCPBHNL-UHFFFAOYSA-N 2 2 351.520 0.813 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211032304 854147514 /nfs/dbraw/zinc/14/75/14/854147514.db2.gz YRKSJZKJWDYNEW-OWCLPIDISA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211032304 854147523 /nfs/dbraw/zinc/14/75/23/854147523.db2.gz YRKSJZKJWDYNEW-OWCLPIDISA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211032304 854147531 /nfs/dbraw/zinc/14/75/31/854147531.db2.gz YRKSJZKJWDYNEW-OWCLPIDISA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211032304 854147538 /nfs/dbraw/zinc/14/75/38/854147538.db2.gz YRKSJZKJWDYNEW-OWCLPIDISA-N 2 2 359.536 0.588 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201285 854402447 /nfs/dbraw/zinc/40/24/47/854402447.db2.gz YWOWJZOGCAJXQA-HZPDHXFCSA-N 2 2 350.463 0.974 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201285 854402455 /nfs/dbraw/zinc/40/24/55/854402455.db2.gz YWOWJZOGCAJXQA-HZPDHXFCSA-N 2 2 350.463 0.974 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1OC ZINC001212352879 854447468 /nfs/dbraw/zinc/44/74/68/854447468.db2.gz CPZHZJDZEMUNDX-BZUAXINKSA-N 2 2 355.458 0.415 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410343 854467632 /nfs/dbraw/zinc/46/76/32/854467632.db2.gz QOCGVGPBUJYFQG-IIAWOOMASA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410343 854467638 /nfs/dbraw/zinc/46/76/38/854467638.db2.gz QOCGVGPBUJYFQG-IIAWOOMASA-N 2 2 354.495 0.057 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213938 854535355 /nfs/dbraw/zinc/53/53/55/854535355.db2.gz UTIKAWNTKBGRPC-RBSFLKMASA-N 2 2 354.495 0.188 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213938 854535362 /nfs/dbraw/zinc/53/53/62/854535362.db2.gz UTIKAWNTKBGRPC-RBSFLKMASA-N 2 2 354.495 0.188 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369429 854591551 /nfs/dbraw/zinc/59/15/51/854591551.db2.gz UAKLLEBPIVLWFM-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369429 854591559 /nfs/dbraw/zinc/59/15/59/854591559.db2.gz UAKLLEBPIVLWFM-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500249 854641922 /nfs/dbraw/zinc/64/19/22/854641922.db2.gz OITRMEHAWMPVLX-BZUAXINKSA-N 2 2 354.451 0.313 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500249 854641926 /nfs/dbraw/zinc/64/19/26/854641926.db2.gz OITRMEHAWMPVLX-BZUAXINKSA-N 2 2 354.451 0.313 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213588785 854677705 /nfs/dbraw/zinc/67/77/05/854677705.db2.gz TXRSYJCKAVDYDO-OWCLPIDISA-N 2 2 356.511 0.578 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213588785 854677706 /nfs/dbraw/zinc/67/77/06/854677706.db2.gz TXRSYJCKAVDYDO-OWCLPIDISA-N 2 2 356.511 0.578 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213588785 854677707 /nfs/dbraw/zinc/67/77/07/854677707.db2.gz TXRSYJCKAVDYDO-OWCLPIDISA-N 2 2 356.511 0.578 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001213588785 854677708 /nfs/dbraw/zinc/67/77/08/854677708.db2.gz TXRSYJCKAVDYDO-OWCLPIDISA-N 2 2 356.511 0.578 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598727 854680717 /nfs/dbraw/zinc/68/07/17/854680717.db2.gz LQEZQOGQMQPIFS-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598727 854680719 /nfs/dbraw/zinc/68/07/19/854680719.db2.gz LQEZQOGQMQPIFS-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719041 854733854 /nfs/dbraw/zinc/73/38/54/854733854.db2.gz LAUIDBVFKUCJGN-IAGOWNOFSA-N 2 2 353.438 0.719 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719041 854733859 /nfs/dbraw/zinc/73/38/59/854733859.db2.gz LAUIDBVFKUCJGN-IAGOWNOFSA-N 2 2 353.438 0.719 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859613 854794854 /nfs/dbraw/zinc/79/48/54/854794854.db2.gz HDGBXEUBGYQMCV-RBSFLKMASA-N 2 2 351.451 0.051 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859613 854794860 /nfs/dbraw/zinc/79/48/60/854794860.db2.gz HDGBXEUBGYQMCV-RBSFLKMASA-N 2 2 351.451 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868314 854800158 /nfs/dbraw/zinc/80/01/58/854800158.db2.gz NOUUDXVJGPYDTB-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868314 854800164 /nfs/dbraw/zinc/80/01/64/854800164.db2.gz NOUUDXVJGPYDTB-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922249 854826416 /nfs/dbraw/zinc/82/64/16/854826416.db2.gz WOAANLIONFQLST-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922249 854826421 /nfs/dbraw/zinc/82/64/21/854826421.db2.gz WOAANLIONFQLST-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927378 854829181 /nfs/dbraw/zinc/82/91/81/854829181.db2.gz GKHGOYVRHOCXBR-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927378 854829189 /nfs/dbraw/zinc/82/91/89/854829189.db2.gz GKHGOYVRHOCXBR-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927378 854829193 /nfs/dbraw/zinc/82/91/93/854829193.db2.gz GKHGOYVRHOCXBR-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927378 854829199 /nfs/dbraw/zinc/82/91/99/854829199.db2.gz GKHGOYVRHOCXBR-HZPDHXFCSA-N 2 2 350.463 0.746 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929792 854830501 /nfs/dbraw/zinc/83/05/01/854830501.db2.gz LJYAYRCLZCEANH-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929792 854830506 /nfs/dbraw/zinc/83/05/06/854830506.db2.gz LJYAYRCLZCEANH-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929792 854830510 /nfs/dbraw/zinc/83/05/10/854830510.db2.gz LJYAYRCLZCEANH-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929792 854830515 /nfs/dbraw/zinc/83/05/15/854830515.db2.gz LJYAYRCLZCEANH-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001214814510 855017876 /nfs/dbraw/zinc/01/78/76/855017876.db2.gz YHMATAYOJOGLDL-GZBFAFLISA-N 2 2 356.492 0.460 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001214814510 855017882 /nfs/dbraw/zinc/01/78/82/855017882.db2.gz YHMATAYOJOGLDL-GZBFAFLISA-N 2 2 356.492 0.460 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)CS(C)(=O)=O ZINC001215199900 855080832 /nfs/dbraw/zinc/08/08/32/855080832.db2.gz KTDHAVXVXHAMCE-RBSFLKMASA-N 2 2 370.519 0.470 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCOC[C@H]1CCCCO1 ZINC001215685155 855136569 /nfs/dbraw/zinc/13/65/69/855136569.db2.gz NNGYMRLTUTZOMK-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)n1cc[nH+]c1 ZINC001215704922 855137282 /nfs/dbraw/zinc/13/72/82/855137282.db2.gz CYBPMXGFQXBOGN-QLFBSQMISA-N 2 2 371.507 0.162 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855371 855151214 /nfs/dbraw/zinc/15/12/14/855151214.db2.gz PJUPXJLSTNHZPW-IIAWOOMASA-N 2 2 370.519 0.850 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855371 855151220 /nfs/dbraw/zinc/15/12/20/855151220.db2.gz PJUPXJLSTNHZPW-IIAWOOMASA-N 2 2 370.519 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1csnn1 ZINC001215934298 855157641 /nfs/dbraw/zinc/15/76/41/855157641.db2.gz MXQXZIISBKVFSE-GDBMZVCRSA-N 2 2 367.519 0.977 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001216064590 855167144 /nfs/dbraw/zinc/16/71/44/855167144.db2.gz CWNFHPICFSGKNC-IJLUTSLNSA-N 2 2 364.368 0.329 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216064689 855167441 /nfs/dbraw/zinc/16/74/41/855167441.db2.gz FRGUKHSTYIFNSE-ZIAGYGMSSA-N 2 2 356.492 0.602 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216397823 855198706 /nfs/dbraw/zinc/19/87/06/855198706.db2.gz VDYDWYHFLOSLLT-CHWSQXEVSA-N 2 2 356.492 0.559 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396970 855198794 /nfs/dbraw/zinc/19/87/94/855198794.db2.gz LAYQEDYUQDSPEE-CHWSQXEVSA-N 2 2 371.507 0.063 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)o1 ZINC001216401565 855199070 /nfs/dbraw/zinc/19/90/70/855199070.db2.gz MOVMRHCJJLPJAW-ZIAGYGMSSA-N 2 2 353.467 0.708 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001216565794 855212851 /nfs/dbraw/zinc/21/28/51/855212851.db2.gz NTSJGVTVKRVPRR-UKPHBRMFSA-N 2 2 350.463 0.893 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803338 855247983 /nfs/dbraw/zinc/24/79/83/855247983.db2.gz VWDAUDFYOQGFBP-NXHRZFHOSA-N 2 2 353.507 0.959 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216975589 855272898 /nfs/dbraw/zinc/27/28/98/855272898.db2.gz VQYFFJUOPURSPN-HUUCEWRRSA-N 2 2 356.492 0.535 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001218449399 855427141 /nfs/dbraw/zinc/42/71/41/855427141.db2.gz XLODMSYESPKJAB-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]21 ZINC001218449399 855427146 /nfs/dbraw/zinc/42/71/46/855427146.db2.gz XLODMSYESPKJAB-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]21 ZINC001218449399 855427150 /nfs/dbraw/zinc/42/71/50/855427150.db2.gz XLODMSYESPKJAB-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]21 ZINC001218449399 855427154 /nfs/dbraw/zinc/42/71/54/855427154.db2.gz XLODMSYESPKJAB-SOUVJXGZSA-N 2 2 361.433 0.664 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21 ZINC001218454309 855427417 /nfs/dbraw/zinc/42/74/17/855427417.db2.gz CSLNKWNFQFXEPR-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]21 ZINC001218454309 855427421 /nfs/dbraw/zinc/42/74/21/855427421.db2.gz CSLNKWNFQFXEPR-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]21 ZINC001218454309 855427427 /nfs/dbraw/zinc/42/74/27/855427427.db2.gz CSLNKWNFQFXEPR-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]21 ZINC001218454309 855427432 /nfs/dbraw/zinc/42/74/32/855427432.db2.gz CSLNKWNFQFXEPR-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789939 855478945 /nfs/dbraw/zinc/47/89/45/855478945.db2.gz XCNWZYLFLCNSOF-DLBZAZTESA-N 2 2 350.463 0.920 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789939 855478955 /nfs/dbraw/zinc/47/89/55/855478955.db2.gz XCNWZYLFLCNSOF-DLBZAZTESA-N 2 2 350.463 0.920 20 0 FCADLP C[S@](=O)c1nc(Cl)c(Br)c(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218802397 855480585 /nfs/dbraw/zinc/48/05/85/855480585.db2.gz MMHAEUIIYHINQQ-LBPHFTFKSA-N 2 2 370.660 0.245 20 0 FCADLP CC(C)(C)N(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)S(=O)(=O)c1cccc(N)c1 ZINC001218849312 855485619 /nfs/dbraw/zinc/48/56/19/855485619.db2.gz YMCXNLWUEUEOKJ-HNNXBMFYSA-N 2 2 368.503 0.912 20 0 FCADLP CC(C)(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)S(=O)(=O)c1cccc(N)c1 ZINC001218847884 855485790 /nfs/dbraw/zinc/48/57/90/855485790.db2.gz LVRZYTDEXPSECY-CPUCHLNUSA-N 2 2 366.487 0.806 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971030 855505451 /nfs/dbraw/zinc/50/54/51/855505451.db2.gz RGKJTORQMLYECL-LSDHHAIUSA-N 2 2 368.503 0.441 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971030 855505454 /nfs/dbraw/zinc/50/54/54/855505454.db2.gz RGKJTORQMLYECL-LSDHHAIUSA-N 2 2 368.503 0.441 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(C)C)C[C@@H]21 ZINC001219008733 855511831 /nfs/dbraw/zinc/51/18/31/855511831.db2.gz XVTSIHHJTNAXFR-DLBZAZTESA-N 2 2 350.463 0.845 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(C)C)C[C@@H]21 ZINC001219008733 855511833 /nfs/dbraw/zinc/51/18/33/855511833.db2.gz XVTSIHHJTNAXFR-DLBZAZTESA-N 2 2 350.463 0.845 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357871 855644357 /nfs/dbraw/zinc/64/43/57/855644357.db2.gz OBHFLGWSVSFHGN-UTUOFQBUSA-N 2 2 371.375 0.159 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357871 855644359 /nfs/dbraw/zinc/64/43/59/855644359.db2.gz OBHFLGWSVSFHGN-UTUOFQBUSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357871 855644362 /nfs/dbraw/zinc/64/43/62/855644362.db2.gz OBHFLGWSVSFHGN-UTUOFQBUSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001219357871 855644364 /nfs/dbraw/zinc/64/43/64/855644364.db2.gz OBHFLGWSVSFHGN-UTUOFQBUSA-N 2 2 371.375 0.159 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001219453670 855677172 /nfs/dbraw/zinc/67/71/72/855677172.db2.gz MZWHQUVLXJTEES-OSAQELSMSA-N 2 2 355.385 0.972 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219725817 855786792 /nfs/dbraw/zinc/78/67/92/855786792.db2.gz KWUVJPZKEXLWKY-CABCVRRESA-N 2 2 371.503 0.248 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219725817 855786802 /nfs/dbraw/zinc/78/68/02/855786802.db2.gz KWUVJPZKEXLWKY-CABCVRRESA-N 2 2 371.503 0.248 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O ZINC001219800665 855819390 /nfs/dbraw/zinc/81/93/90/855819390.db2.gz RPURSQJXOKZUFE-OAGGEKHMSA-N 2 2 355.458 0.114 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O ZINC001219800665 855819400 /nfs/dbraw/zinc/81/94/00/855819400.db2.gz RPURSQJXOKZUFE-OAGGEKHMSA-N 2 2 355.458 0.114 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803585 855820995 /nfs/dbraw/zinc/82/09/95/855820995.db2.gz ACPZEJUVLNIUKA-JKIFEVAISA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803585 855821000 /nfs/dbraw/zinc/82/10/00/855821000.db2.gz ACPZEJUVLNIUKA-JKIFEVAISA-N 2 2 350.463 0.547 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001219803749 855821867 /nfs/dbraw/zinc/82/18/67/855821867.db2.gz FCHNNEKOYWFIFT-OWCLPIDISA-N 2 2 352.504 0.496 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001219803749 855821878 /nfs/dbraw/zinc/82/18/78/855821878.db2.gz FCHNNEKOYWFIFT-OWCLPIDISA-N 2 2 352.504 0.496 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908336 855874171 /nfs/dbraw/zinc/87/41/71/855874171.db2.gz BHTYRQWXPZFHIN-OAGGEKHMSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908336 855874180 /nfs/dbraw/zinc/87/41/80/855874180.db2.gz BHTYRQWXPZFHIN-OAGGEKHMSA-N 2 2 350.463 0.424 20 0 FCADLP COc1cc(CCNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc(OC)c1 ZINC001219907943 855874783 /nfs/dbraw/zinc/87/47/83/855874783.db2.gz KOZBWEJZYFFIFT-KRWDZBQOSA-N 2 2 350.463 0.113 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908528 855876047 /nfs/dbraw/zinc/87/60/47/855876047.db2.gz JFQSJEGPPGFQGQ-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908528 855876049 /nfs/dbraw/zinc/87/60/49/855876049.db2.gz JFQSJEGPPGFQGQ-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908528 855876053 /nfs/dbraw/zinc/87/60/53/855876053.db2.gz JFQSJEGPPGFQGQ-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908528 855876056 /nfs/dbraw/zinc/87/60/56/855876056.db2.gz JFQSJEGPPGFQGQ-XYPHTWIQSA-N 2 2 350.463 0.411 20 0 FCADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939105 855888432 /nfs/dbraw/zinc/88/84/32/855888432.db2.gz RDXFPLONLUDOCP-INIZCTEOSA-N 3 2 370.519 0.934 20 0 FCADLP Cc1nn(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c(C)c1Br ZINC001219997051 855911372 /nfs/dbraw/zinc/91/13/72/855911372.db2.gz KCJQFLWNQAFGKG-SDDRHHMPSA-N 2 2 356.268 0.329 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC([NH3+])CC1 ZINC001220039941 855929719 /nfs/dbraw/zinc/92/97/19/855929719.db2.gz ZBQMJYHGJOTWBO-AEYXLDPTSA-N 3 2 352.479 0.036 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220051870 855933252 /nfs/dbraw/zinc/93/32/52/855933252.db2.gz NYBIFUKAZBLBSX-XHSDSOJGSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220051870 855933257 /nfs/dbraw/zinc/93/32/57/855933257.db2.gz NYBIFUKAZBLBSX-XHSDSOJGSA-N 2 2 350.463 0.473 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078045 855948509 /nfs/dbraw/zinc/94/85/09/855948509.db2.gz HJHUSGOYYSWVBQ-CABCVRRESA-N 2 2 350.463 0.909 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078045 855948516 /nfs/dbraw/zinc/94/85/16/855948516.db2.gz HJHUSGOYYSWVBQ-CABCVRRESA-N 2 2 350.463 0.909 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119426 855969996 /nfs/dbraw/zinc/96/99/96/855969996.db2.gz MTXJIDSCSODCPK-KFWWJZLASA-N 2 2 354.495 0.066 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119426 855970001 /nfs/dbraw/zinc/97/00/01/855970001.db2.gz MTXJIDSCSODCPK-KFWWJZLASA-N 2 2 354.495 0.066 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)C[C@@H]2COCC[NH2+]2)cs1 ZINC001220128529 855973516 /nfs/dbraw/zinc/97/35/16/855973516.db2.gz IRSHPLBEHRLWFA-GFCCVEGCSA-N 2 2 358.533 0.933 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220185381 855997798 /nfs/dbraw/zinc/99/77/98/855997798.db2.gz GVUXVIAIEQLYNC-DZGCQCFKSA-N 2 2 356.417 0.977 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234046 856024173 /nfs/dbraw/zinc/02/41/73/856024173.db2.gz RTPMBDCETDIILO-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234046 856024179 /nfs/dbraw/zinc/02/41/79/856024179.db2.gz RTPMBDCETDIILO-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238597 856026423 /nfs/dbraw/zinc/02/64/23/856026423.db2.gz XQSVVASTJVPSMP-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238597 856026428 /nfs/dbraw/zinc/02/64/28/856026428.db2.gz XQSVVASTJVPSMP-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369303 856089460 /nfs/dbraw/zinc/08/94/60/856089460.db2.gz FYFUHMWUACTMAD-ZNMIVQPWSA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369303 856089464 /nfs/dbraw/zinc/08/94/64/856089464.db2.gz FYFUHMWUACTMAD-ZNMIVQPWSA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369303 856089467 /nfs/dbraw/zinc/08/94/67/856089467.db2.gz FYFUHMWUACTMAD-ZNMIVQPWSA-N 2 2 356.511 0.040 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369303 856089474 /nfs/dbraw/zinc/08/94/74/856089474.db2.gz FYFUHMWUACTMAD-ZNMIVQPWSA-N 2 2 356.511 0.040 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220376222 856094778 /nfs/dbraw/zinc/09/47/78/856094778.db2.gz RQZDVWITKLUHBE-PMPSAXMXSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220376222 856094780 /nfs/dbraw/zinc/09/47/80/856094780.db2.gz RQZDVWITKLUHBE-PMPSAXMXSA-N 2 2 350.463 0.482 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388022 856102073 /nfs/dbraw/zinc/10/20/73/856102073.db2.gz YCDKVWVVJMGILG-BMFZPTHFSA-N 2 2 368.503 0.305 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220388022 856102076 /nfs/dbraw/zinc/10/20/76/856102076.db2.gz YCDKVWVVJMGILG-BMFZPTHFSA-N 2 2 368.503 0.305 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444456 856128436 /nfs/dbraw/zinc/12/84/36/856128436.db2.gz XPXWSKZGGZVHKP-CVEARBPZSA-N 2 2 352.479 0.985 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444456 856128441 /nfs/dbraw/zinc/12/84/41/856128441.db2.gz XPXWSKZGGZVHKP-CVEARBPZSA-N 2 2 352.479 0.985 20 0 FCADLP [NH3+]CC[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccc2c1cccc2S(=O)(=O)[O-] ZINC001220464539 856140092 /nfs/dbraw/zinc/14/00/92/856140092.db2.gz OACOTLIPFUGZDC-ZDUSSCGKSA-N 2 2 366.443 0.054 20 0 FCADLP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220568119 856188735 /nfs/dbraw/zinc/18/87/35/856188735.db2.gz XAQZMZADTCTYIJ-RDTXWAMCSA-N 2 2 353.463 0.527 20 0 FCADLP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220568106 856189172 /nfs/dbraw/zinc/18/91/72/856189172.db2.gz WUVDTPITRFJZGE-CWRNSKLLSA-N 2 2 353.463 0.525 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220576788 856192683 /nfs/dbraw/zinc/19/26/83/856192683.db2.gz QOZMFADFOAZMCS-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O ZINC001220576788 856192691 /nfs/dbraw/zinc/19/26/91/856192691.db2.gz QOZMFADFOAZMCS-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220584942 856194634 /nfs/dbraw/zinc/19/46/34/856194634.db2.gz POZNKBOGQCLASL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220584942 856194638 /nfs/dbraw/zinc/19/46/38/856194638.db2.gz POZNKBOGQCLASL-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220599486 856199998 /nfs/dbraw/zinc/19/99/98/856199998.db2.gz BELHLMWCQXXIDG-MCIONIFRSA-N 2 2 367.412 0.193 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220599486 856200002 /nfs/dbraw/zinc/20/00/02/856200002.db2.gz BELHLMWCQXXIDG-MCIONIFRSA-N 2 2 367.412 0.193 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)o1 ZINC001220683380 856240633 /nfs/dbraw/zinc/24/06/33/856240633.db2.gz PJDGLBFEGQZZJM-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)o1 ZINC001220683380 856240638 /nfs/dbraw/zinc/24/06/38/856240638.db2.gz PJDGLBFEGQZZJM-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C2)o1 ZINC001220683380 856240648 /nfs/dbraw/zinc/24/06/48/856240648.db2.gz PJDGLBFEGQZZJM-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C2)o1 ZINC001220683380 856240661 /nfs/dbraw/zinc/24/06/61/856240661.db2.gz PJDGLBFEGQZZJM-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220800038 856306522 /nfs/dbraw/zinc/30/65/22/856306522.db2.gz KRZDZFZTWKKVDH-YEWWUXTCSA-N 2 2 365.861 0.882 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001220826177 856327975 /nfs/dbraw/zinc/32/79/75/856327975.db2.gz QPIUXBBKGFOMHS-SJORKVTESA-N 2 2 350.463 0.945 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001220826177 856327978 /nfs/dbraw/zinc/32/79/78/856327978.db2.gz QPIUXBBKGFOMHS-SJORKVTESA-N 2 2 350.463 0.945 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001220826177 856327982 /nfs/dbraw/zinc/32/79/82/856327982.db2.gz QPIUXBBKGFOMHS-SJORKVTESA-N 2 2 350.463 0.945 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001220826177 856327985 /nfs/dbraw/zinc/32/79/85/856327985.db2.gz QPIUXBBKGFOMHS-SJORKVTESA-N 2 2 350.463 0.945 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001220830537 856329142 /nfs/dbraw/zinc/32/91/42/856329142.db2.gz AWNTXEHZLVVKTR-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001220830537 856329149 /nfs/dbraw/zinc/32/91/49/856329149.db2.gz AWNTXEHZLVVKTR-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220830537 856329156 /nfs/dbraw/zinc/32/91/56/856329156.db2.gz AWNTXEHZLVVKTR-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001220830537 856329164 /nfs/dbraw/zinc/32/91/64/856329164.db2.gz AWNTXEHZLVVKTR-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP COC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(Br)c1 ZINC001220847292 856335541 /nfs/dbraw/zinc/33/55/41/856335541.db2.gz RKAOOHVKYKDIAP-JQWIXIFHSA-N 2 2 356.220 0.399 20 0 FCADLP CSc1ncc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)c(N)n1 ZINC001279245838 862786784 /nfs/dbraw/zinc/78/67/84/862786784.db2.gz HYIPLNFWHLNSIS-STQMWFEESA-N 2 2 362.503 0.423 20 0 FCADLP CSc1ncc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)c(N)n1 ZINC001279245838 862786798 /nfs/dbraw/zinc/78/67/98/862786798.db2.gz HYIPLNFWHLNSIS-STQMWFEESA-N 2 2 362.503 0.423 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917071 856373534 /nfs/dbraw/zinc/37/35/34/856373534.db2.gz LUIPYZQANWSWSC-ROUUACIJSA-N 3 2 351.539 0.508 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917071 856373537 /nfs/dbraw/zinc/37/35/37/856373537.db2.gz LUIPYZQANWSWSC-ROUUACIJSA-N 3 2 351.539 0.508 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCN(Cc3ccc(Br)cc3)C2)C1 ZINC001220918803 856374799 /nfs/dbraw/zinc/37/47/99/856374799.db2.gz HGOMPIMXVPCRII-ILXRZTDVSA-N 2 2 367.291 0.829 20 0 FCADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220975421 856404151 /nfs/dbraw/zinc/40/41/51/856404151.db2.gz WEIQOUACIBGACZ-HNNXBMFYSA-N 2 2 351.422 0.745 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091372 856457859 /nfs/dbraw/zinc/45/78/59/856457859.db2.gz LXZVAWMDBCPOTI-IJEWVQPXSA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091372 856457861 /nfs/dbraw/zinc/45/78/61/856457861.db2.gz LXZVAWMDBCPOTI-IJEWVQPXSA-N 2 2 363.449 0.550 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154487 856486969 /nfs/dbraw/zinc/48/69/69/856486969.db2.gz OCEZQXDOJQZOJA-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154487 856486978 /nfs/dbraw/zinc/48/69/78/856486978.db2.gz OCEZQXDOJQZOJA-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001221164380 856492519 /nfs/dbraw/zinc/49/25/19/856492519.db2.gz FXQSVLWZWNHPLP-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1O ZINC001221164380 856492527 /nfs/dbraw/zinc/49/25/27/856492527.db2.gz FXQSVLWZWNHPLP-SJORKVTESA-N 2 2 350.463 0.641 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 ZINC001221181652 856502397 /nfs/dbraw/zinc/50/23/97/856502397.db2.gz NAMDHBSRTIACSN-ONGXEEELSA-N 2 2 358.368 0.270 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001221257009 856531508 /nfs/dbraw/zinc/53/15/08/856531508.db2.gz UXVLSMWOPOYYRH-GJZGRUSLSA-N 3 2 353.467 0.070 20 0 FCADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359044 856555061 /nfs/dbraw/zinc/55/50/61/856555061.db2.gz ZWVVZWUIHPAPLI-HOTGVXAUSA-N 3 2 352.523 0.724 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537546 856598578 /nfs/dbraw/zinc/59/85/78/856598578.db2.gz GGXMAOVDHXCNOE-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537546 856598581 /nfs/dbraw/zinc/59/85/81/856598581.db2.gz GGXMAOVDHXCNOE-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221537546 856598586 /nfs/dbraw/zinc/59/85/86/856598586.db2.gz GGXMAOVDHXCNOE-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221537546 856598590 /nfs/dbraw/zinc/59/85/90/856598590.db2.gz GGXMAOVDHXCNOE-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537281 856598792 /nfs/dbraw/zinc/59/87/92/856598792.db2.gz ADJDICGNABUBEA-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221537281 856598796 /nfs/dbraw/zinc/59/87/96/856598796.db2.gz ADJDICGNABUBEA-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221537281 856598802 /nfs/dbraw/zinc/59/88/02/856598802.db2.gz ADJDICGNABUBEA-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221537281 856598808 /nfs/dbraw/zinc/59/88/08/856598808.db2.gz ADJDICGNABUBEA-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)c3ncc[nH]3)CC2)CC1 ZINC001221601366 856621858 /nfs/dbraw/zinc/62/18/58/856621858.db2.gz YKGJSRMXVNFCSQ-HNNXBMFYSA-N 2 2 350.467 0.301 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001221643356 856636054 /nfs/dbraw/zinc/63/60/54/856636054.db2.gz ZZSXAZYUTMJTCL-DJIMGWMZSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001221643356 856636056 /nfs/dbraw/zinc/63/60/56/856636056.db2.gz ZZSXAZYUTMJTCL-DJIMGWMZSA-N 2 2 350.507 0.870 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001221798659 856687672 /nfs/dbraw/zinc/68/76/72/856687672.db2.gz LLUOQNIUPOWPSW-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001221798659 856687675 /nfs/dbraw/zinc/68/76/75/856687675.db2.gz LLUOQNIUPOWPSW-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014037 856768211 /nfs/dbraw/zinc/76/82/11/856768211.db2.gz SNHGFODVOFQOGL-OWCLPIDISA-N 2 2 369.531 0.296 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014037 856768223 /nfs/dbraw/zinc/76/82/23/856768223.db2.gz SNHGFODVOFQOGL-OWCLPIDISA-N 2 2 369.531 0.296 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014037 856768230 /nfs/dbraw/zinc/76/82/30/856768230.db2.gz SNHGFODVOFQOGL-OWCLPIDISA-N 2 2 369.531 0.296 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)C1 ZINC001222014037 856768237 /nfs/dbraw/zinc/76/82/37/856768237.db2.gz SNHGFODVOFQOGL-OWCLPIDISA-N 2 2 369.531 0.296 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222050241 856784405 /nfs/dbraw/zinc/78/44/05/856784405.db2.gz XZKUIQLYYCPBCZ-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222050241 856784408 /nfs/dbraw/zinc/78/44/08/856784408.db2.gz XZKUIQLYYCPBCZ-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222050241 856784416 /nfs/dbraw/zinc/78/44/16/856784416.db2.gz XZKUIQLYYCPBCZ-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222050241 856784420 /nfs/dbraw/zinc/78/44/20/856784420.db2.gz XZKUIQLYYCPBCZ-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050828 856785509 /nfs/dbraw/zinc/78/55/09/856785509.db2.gz GAVQPTSYLTUMAJ-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050828 856785512 /nfs/dbraw/zinc/78/55/12/856785512.db2.gz GAVQPTSYLTUMAJ-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001222050828 856785515 /nfs/dbraw/zinc/78/55/15/856785515.db2.gz GAVQPTSYLTUMAJ-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001222050828 856785517 /nfs/dbraw/zinc/78/55/17/856785517.db2.gz GAVQPTSYLTUMAJ-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953812 857186358 /nfs/dbraw/zinc/18/63/58/857186358.db2.gz LITXUWGIVPPFLT-IIAWOOMASA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953812 857186361 /nfs/dbraw/zinc/18/63/61/857186361.db2.gz LITXUWGIVPPFLT-IIAWOOMASA-N 2 2 354.495 0.201 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001229693955 857281690 /nfs/dbraw/zinc/28/16/90/857281690.db2.gz YKILDURHCPWJSV-HUUCEWRRSA-N 2 2 356.492 0.414 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2NS(C)(=O)=O)C1 ZINC001235139052 857420091 /nfs/dbraw/zinc/42/00/91/857420091.db2.gz AJNNDUIUIDVKPP-OAHLLOKOSA-N 2 2 368.503 0.700 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2NS(C)(=O)=O)C1 ZINC001235139052 857420100 /nfs/dbraw/zinc/42/01/00/857420100.db2.gz AJNNDUIUIDVKPP-OAHLLOKOSA-N 2 2 368.503 0.700 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1cc(Br)c[nH]c1=O ZINC001236312253 857439719 /nfs/dbraw/zinc/43/97/19/857439719.db2.gz OVEUQSJEMCQVTO-UHFFFAOYSA-N 3 2 374.283 0.166 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1cc(Br)c[nH]c1=O ZINC001236312253 857439722 /nfs/dbraw/zinc/43/97/22/857439722.db2.gz OVEUQSJEMCQVTO-UHFFFAOYSA-N 3 2 374.283 0.166 20 0 FCADLP CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238838343 857482366 /nfs/dbraw/zinc/48/23/66/857482366.db2.gz IYNIZNVZSINSHA-UHFFFAOYSA-N 2 2 373.479 0.005 20 0 FCADLP COc1cc(Br)ccc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839362 857483472 /nfs/dbraw/zinc/48/34/72/857483472.db2.gz QDICVUHEZBDMRZ-UHFFFAOYSA-N 2 2 352.254 0.284 20 0 FCADLP COC(=O)c1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)[C@@H]2CC[NH2+]C2)c1 ZINC001239182799 857524859 /nfs/dbraw/zinc/52/48/59/857524859.db2.gz ROASDXBSPLWOLI-CABCVRRESA-N 2 2 353.444 0.111 20 0 FCADLP S=C(Nc1ccc2c(c1)OCCO2)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439783 857528526 /nfs/dbraw/zinc/52/85/26/857528526.db2.gz XQACKWHECWBQNS-UHFFFAOYSA-N 2 2 365.503 0.239 20 0 FCADLP C[C@H](NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1)c1ccc(F)cc1 ZINC001239439771 857528543 /nfs/dbraw/zinc/52/85/43/857528543.db2.gz WXLVZZLQVMKGDB-AWEZNQCLSA-N 2 2 353.511 0.846 20 0 FCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001246151651 857570565 /nfs/dbraw/zinc/57/05/65/857570565.db2.gz KLHRPECGDXNVDK-SYQHCUMBSA-N 2 2 358.435 0.378 20 0 FCADLP CCOC(=O)CC1(N[C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]CC1 ZINC001246324847 857574190 /nfs/dbraw/zinc/57/41/90/857574190.db2.gz HZYOGZBYXSMSNO-KGLIPLIRSA-N 2 2 355.479 0.724 20 0 FCADLP CCOC(=O)CC1([NH2+][C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]CC1 ZINC001246324847 857574198 /nfs/dbraw/zinc/57/41/98/857574198.db2.gz HZYOGZBYXSMSNO-KGLIPLIRSA-N 2 2 355.479 0.724 20 0 FCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)C[NH2+]1 ZINC001246754570 857598650 /nfs/dbraw/zinc/59/86/50/857598650.db2.gz DRXKIYITWBVFTL-IXDOHACOSA-N 2 2 351.491 0.857 20 0 FCADLP CS(=O)(=O)N(CC[NH3+])Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248899142 857640893 /nfs/dbraw/zinc/64/08/93/857640893.db2.gz WZRSBBRVUBVIKU-UHFFFAOYSA-N 2 2 362.415 0.643 20 0 FCADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014042 857681044 /nfs/dbraw/zinc/68/10/44/857681044.db2.gz MWRJXXMYJPFZLF-MOPGFXCFSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014042 857681049 /nfs/dbraw/zinc/68/10/49/857681049.db2.gz MWRJXXMYJPFZLF-MOPGFXCFSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014042 857681056 /nfs/dbraw/zinc/68/10/56/857681056.db2.gz MWRJXXMYJPFZLF-MOPGFXCFSA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)C1 ZINC001251014042 857681059 /nfs/dbraw/zinc/68/10/59/857681059.db2.gz MWRJXXMYJPFZLF-MOPGFXCFSA-N 2 2 355.523 0.502 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001251129756 857700652 /nfs/dbraw/zinc/70/06/52/857700652.db2.gz MKGZVURBUGOZRQ-KRWDZBQOSA-N 2 2 354.495 0.338 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001253184097 857869619 /nfs/dbraw/zinc/86/96/19/857869619.db2.gz BIDHTMJMPGXDHQ-FJIDUMEYSA-N 2 2 353.507 0.695 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001253184097 857869626 /nfs/dbraw/zinc/86/96/26/857869626.db2.gz BIDHTMJMPGXDHQ-FJIDUMEYSA-N 2 2 353.507 0.695 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC001256943869 858107480 /nfs/dbraw/zinc/10/74/80/858107480.db2.gz KGHYZMSMHFVXGF-UHFFFAOYSA-N 2 2 360.399 0.814 20 0 FCADLP CSCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001258211703 858183617 /nfs/dbraw/zinc/18/36/17/858183617.db2.gz LZVCECORKIEDPL-UBHSHLNASA-N 2 2 353.492 0.543 20 0 FCADLP O=S1(=O)CCC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC001261436727 858547918 /nfs/dbraw/zinc/54/79/18/858547918.db2.gz JRKXAWZRJLWHDW-HZPDHXFCSA-N 2 2 360.520 0.284 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CCS(=O)(=O)C1 ZINC001263770769 859208255 /nfs/dbraw/zinc/20/82/55/859208255.db2.gz OQNCQKOAYBQPRP-HNNXBMFYSA-N 2 2 370.519 0.710 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001264659530 859419119 /nfs/dbraw/zinc/41/91/19/859419119.db2.gz FVJXZHPAOXVIBB-IKGGRYGDSA-N 2 2 350.463 0.451 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001264659530 859419123 /nfs/dbraw/zinc/41/91/23/859419123.db2.gz FVJXZHPAOXVIBB-IKGGRYGDSA-N 2 2 350.463 0.451 20 0 FCADLP Cc1nc(C)c(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)s1 ZINC001272520388 860174237 /nfs/dbraw/zinc/17/42/37/860174237.db2.gz HVTILNWNQSQAQL-BFHYXJOUSA-N 2 2 363.487 0.864 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001274396321 860742242 /nfs/dbraw/zinc/74/22/42/860742242.db2.gz DLZMLAXVTDZZFR-MRXNPFEDSA-N 2 2 350.507 0.729 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001274396321 860742247 /nfs/dbraw/zinc/74/22/47/860742247.db2.gz DLZMLAXVTDZZFR-MRXNPFEDSA-N 2 2 350.507 0.729 20 0 FCADLP C[NH+](C)CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(N)ncnc1Cl)CC2 ZINC001275579350 861134397 /nfs/dbraw/zinc/13/43/97/861134397.db2.gz RKKNPZSTQBRDFM-ZDUSSCGKSA-N 2 2 366.897 0.992 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=S)NCC[NH+](C)C ZINC001279975816 863161898 /nfs/dbraw/zinc/16/18/98/863161898.db2.gz QNFAJGGOWHZQPE-OKILXGFUSA-N 2 2 369.560 0.773 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=S)NCC[NH+](C)C ZINC001279975816 863161906 /nfs/dbraw/zinc/16/19/06/863161906.db2.gz QNFAJGGOWHZQPE-OKILXGFUSA-N 2 2 369.560 0.773 20 0 FCADLP COCc1nc(C[N@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)no1 ZINC001280065002 863234999 /nfs/dbraw/zinc/23/49/99/863234999.db2.gz SLGAZOCDTXKBPT-OKILXGFUSA-N 2 2 351.451 0.448 20 0 FCADLP COCc1nc(C[N@@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)no1 ZINC001280065002 863235008 /nfs/dbraw/zinc/23/50/08/863235008.db2.gz SLGAZOCDTXKBPT-OKILXGFUSA-N 2 2 351.451 0.448 20 0 FCADLP COCc1nc(C[NH+]2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)no1 ZINC001280065002 863235018 /nfs/dbraw/zinc/23/50/18/863235018.db2.gz SLGAZOCDTXKBPT-OKILXGFUSA-N 2 2 351.451 0.448 20 0 FCADLP COCc1nc(C[NH+]2C[C@@H]3CC[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)no1 ZINC001280065002 863235026 /nfs/dbraw/zinc/23/50/26/863235026.db2.gz SLGAZOCDTXKBPT-OKILXGFUSA-N 2 2 351.451 0.448 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1CN(C)CC[NH+]1C ZINC001349466300 866348851 /nfs/dbraw/zinc/34/88/51/866348851.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1CN(C)CC[NH+]1C ZINC001349466300 866348865 /nfs/dbraw/zinc/34/88/65/866348865.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001349466300 866348877 /nfs/dbraw/zinc/34/88/77/866348877.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001349466300 866348889 /nfs/dbraw/zinc/34/88/89/866348889.db2.gz BPABAIJWAWAFOE-NVXWUHKLSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC001349881667 866470104 /nfs/dbraw/zinc/47/01/04/866470104.db2.gz QJWRJLYREOUITH-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC001349881667 866470116 /nfs/dbraw/zinc/47/01/16/866470116.db2.gz QJWRJLYREOUITH-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCOCC1 ZINC001350014290 866491001 /nfs/dbraw/zinc/49/10/01/866491001.db2.gz LOQVNZDAWPZKOX-BZUAXINKSA-N 2 2 354.495 0.093 20 0 FCADLP C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001309058494 866735826 /nfs/dbraw/zinc/73/58/26/866735826.db2.gz SXSXFCYOBFPRMB-UHFFFAOYSA-N 2 2 354.520 0.585 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001309505246 866820358 /nfs/dbraw/zinc/82/03/58/866820358.db2.gz DXEYBMJBXBMHOW-KRWDZBQOSA-N 2 2 366.531 0.933 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001309505246 866820379 /nfs/dbraw/zinc/82/03/79/866820379.db2.gz DXEYBMJBXBMHOW-KRWDZBQOSA-N 2 2 366.531 0.933 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H](C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001319772984 867997865 /nfs/dbraw/zinc/99/78/65/867997865.db2.gz RKQPVWVAJWJLKS-CABCVRRESA-N 2 2 356.492 0.802 20 0 FCADLP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001324176441 869497009 /nfs/dbraw/zinc/49/70/09/869497009.db2.gz WGFXQEKMQVYONK-MGPQQGTHSA-N 2 2 369.491 0.033 20 0 FCADLP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001324176441 869497015 /nfs/dbraw/zinc/49/70/15/869497015.db2.gz WGFXQEKMQVYONK-MGPQQGTHSA-N 2 2 369.491 0.033 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC2)c1 ZINC001343573824 870496700 /nfs/dbraw/zinc/49/67/00/870496700.db2.gz UYOOQLPZSJHNEB-MRXNPFEDSA-N 2 2 351.447 0.316 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC(N2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC001344129820 870757409 /nfs/dbraw/zinc/75/74/09/870757409.db2.gz RYVNXXOHYBXAQW-SFHVURJKSA-N 2 2 352.523 0.582 20 0 FCADLP C[C@H]1CCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345541169 871401465 /nfs/dbraw/zinc/40/14/65/871401465.db2.gz UDKFAEIJRIIGAV-YOEHRIQHSA-N 2 2 350.507 0.966 20 0 FCADLP COC(=O)CCCCCS(=O)(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001328399721 871408462 /nfs/dbraw/zinc/40/84/62/871408462.db2.gz IQFRIHXEGUHSSO-OAHLLOKOSA-N 2 2 361.508 0.547 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CC1(C)C ZINC001328520506 871478229 /nfs/dbraw/zinc/47/82/29/871478229.db2.gz ZZDXFVJTDGQLDE-OAHLLOKOSA-N 2 2 352.523 0.975 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CC1(C)C ZINC001328520506 871478242 /nfs/dbraw/zinc/47/82/42/871478242.db2.gz ZZDXFVJTDGQLDE-OAHLLOKOSA-N 2 2 352.523 0.975 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001346016369 871604360 /nfs/dbraw/zinc/60/43/60/871604360.db2.gz BKTJQORQRHYMEP-HOTGVXAUSA-N 2 2 371.547 0.876 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001346016369 871604362 /nfs/dbraw/zinc/60/43/62/871604362.db2.gz BKTJQORQRHYMEP-HOTGVXAUSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@]4(CCOC4=O)C3)C2)CC1 ZINC001346061721 871626012 /nfs/dbraw/zinc/62/60/12/871626012.db2.gz VJIILRNFASWGTL-RDTXWAMCSA-N 2 2 350.463 0.504 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@]4(CCOC4=O)C3)C2)CC1 ZINC001346061721 871626016 /nfs/dbraw/zinc/62/60/16/871626016.db2.gz VJIILRNFASWGTL-RDTXWAMCSA-N 2 2 350.463 0.504 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001346289763 871753208 /nfs/dbraw/zinc/75/32/08/871753208.db2.gz ZMTSXGJOTWGIBE-XHSDSOJGSA-N 2 2 354.495 0.554 20 0 FCADLP CC(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346303751 871762432 /nfs/dbraw/zinc/76/24/32/871762432.db2.gz DGLHWPAZZCZVPO-OAHLLOKOSA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346303751 871762447 /nfs/dbraw/zinc/76/24/47/871762447.db2.gz DGLHWPAZZCZVPO-OAHLLOKOSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425397 871834339 /nfs/dbraw/zinc/83/43/39/871834339.db2.gz GCVRIVRYYIJARB-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425397 871834363 /nfs/dbraw/zinc/83/43/63/871834363.db2.gz GCVRIVRYYIJARB-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC001346521497 871882451 /nfs/dbraw/zinc/88/24/51/871882451.db2.gz YAGMPDRWSQJGPW-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606088 871930438 /nfs/dbraw/zinc/93/04/38/871930438.db2.gz JVJZUVIIEIDBCV-VVLHAWIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606088 871930451 /nfs/dbraw/zinc/93/04/51/871930451.db2.gz JVJZUVIIEIDBCV-VVLHAWIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001346606088 871930469 /nfs/dbraw/zinc/93/04/69/871930469.db2.gz JVJZUVIIEIDBCV-VVLHAWIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001346606088 871930488 /nfs/dbraw/zinc/93/04/88/871930488.db2.gz JVJZUVIIEIDBCV-VVLHAWIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346761054 871986940 /nfs/dbraw/zinc/98/69/40/871986940.db2.gz DOKTURDOJLXMAH-OAHLLOKOSA-N 2 2 354.495 0.807 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346761054 871986948 /nfs/dbraw/zinc/98/69/48/871986948.db2.gz DOKTURDOJLXMAH-OAHLLOKOSA-N 2 2 354.495 0.807 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346763501 871987853 /nfs/dbraw/zinc/98/78/53/871987853.db2.gz UIVKXZUTBOPVOC-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346763501 871987859 /nfs/dbraw/zinc/98/78/59/871987859.db2.gz UIVKXZUTBOPVOC-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346763503 871988035 /nfs/dbraw/zinc/98/80/35/871988035.db2.gz UIVKXZUTBOPVOC-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346763503 871988044 /nfs/dbraw/zinc/98/80/44/871988044.db2.gz UIVKXZUTBOPVOC-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@]3(C)CCOC3=O)CC2)CC1 ZINC001346945209 872075051 /nfs/dbraw/zinc/07/50/51/872075051.db2.gz LHTMYAOCBFKIEI-GOSISDBHSA-N 2 2 352.479 0.894 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@]3(C)CCOC3=O)CC2)CC1 ZINC001346945209 872075071 /nfs/dbraw/zinc/07/50/71/872075071.db2.gz LHTMYAOCBFKIEI-GOSISDBHSA-N 2 2 352.479 0.894 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001347184057 872206956 /nfs/dbraw/zinc/20/69/56/872206956.db2.gz DMZUZHDPRQTXCB-JKSUJKDBSA-N 2 2 355.527 0.373 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347184057 872206975 /nfs/dbraw/zinc/20/69/75/872206975.db2.gz DMZUZHDPRQTXCB-JKSUJKDBSA-N 2 2 355.527 0.373 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC001329813091 872277556 /nfs/dbraw/zinc/27/75/56/872277556.db2.gz XLRVDVHAYWNISW-CYBMUJFWSA-N 2 2 358.433 0.529 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC001329813091 872277571 /nfs/dbraw/zinc/27/75/71/872277571.db2.gz XLRVDVHAYWNISW-CYBMUJFWSA-N 2 2 358.433 0.529 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001347874097 872515827 /nfs/dbraw/zinc/51/58/27/872515827.db2.gz HOHPDFAJHHNDSI-UHFFFAOYSA-N 2 2 352.479 0.705 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001347874097 872515840 /nfs/dbraw/zinc/51/58/40/872515840.db2.gz HOHPDFAJHHNDSI-UHFFFAOYSA-N 2 2 352.479 0.705 20 0 FCADLP CSC1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001348584393 872732086 /nfs/dbraw/zinc/73/20/86/872732086.db2.gz CZEBZMACVKAITL-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP CSC1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001348584393 872732099 /nfs/dbraw/zinc/73/20/99/872732099.db2.gz CZEBZMACVKAITL-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C1(C)C ZINC001330647871 872747789 /nfs/dbraw/zinc/74/77/89/872747789.db2.gz IFANDIOFLVHKQG-LPHOPBHVSA-N 2 2 352.523 0.757 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000821586009 945724994 /nfs/dbraw/zinc/72/49/94/945724994.db2.gz FTEZFKWIRUIUNI-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000821586009 945725001 /nfs/dbraw/zinc/72/50/01/945725001.db2.gz FTEZFKWIRUIUNI-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CC(=O)N1CC[NH+]([C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573450438 945823996 /nfs/dbraw/zinc/82/39/96/945823996.db2.gz GUGIRIIXOFUTCV-AWEZNQCLSA-N 2 2 356.434 0.313 20 0 FCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574920082 948888023 /nfs/dbraw/zinc/88/80/23/948888023.db2.gz BVUFXNXWWYIMKB-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574923386 948947101 /nfs/dbraw/zinc/94/71/01/948947101.db2.gz LDOJJIFSNJNVDI-LBPRGKRZSA-N 2 2 355.406 0.135 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574942256 949346171 /nfs/dbraw/zinc/34/61/71/949346171.db2.gz MGMSFHXXWYIJHU-SNVBAGLBSA-N 2 2 358.381 0.566 20 0 FCADLP CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001573818273 949725092 /nfs/dbraw/zinc/72/50/92/949725092.db2.gz JNACCBXLVQQAGY-AWEZNQCLSA-N 2 2 369.433 0.523 20 0 FCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575276740 949726093 /nfs/dbraw/zinc/72/60/93/949726093.db2.gz KVXWNAIDXQHONJ-RYUDHWBXSA-N 2 2 369.433 0.355 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574731401 950045890 /nfs/dbraw/zinc/04/58/90/950045890.db2.gz CZLBFQJVPYHRAP-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574731604 950060205 /nfs/dbraw/zinc/06/02/05/950060205.db2.gz XZTKUSPXESNANC-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574157798 950254470 /nfs/dbraw/zinc/25/44/70/950254470.db2.gz IVDQPTRRGTULCF-XJKSGUPXSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574157798 950254487 /nfs/dbraw/zinc/25/44/87/950254487.db2.gz IVDQPTRRGTULCF-XJKSGUPXSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576202539 950430341 /nfs/dbraw/zinc/43/03/41/950430341.db2.gz APIDZQWQUQQNTB-AWEZNQCLSA-N 2 2 372.477 0.935 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204041 950453874 /nfs/dbraw/zinc/45/38/74/950453874.db2.gz KEMRFEBBCLIUAK-UONOGXRCSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204040 950455958 /nfs/dbraw/zinc/45/59/58/950455958.db2.gz KEMRFEBBCLIUAK-KGLIPLIRSA-N 2 2 372.477 0.721 20 0 FCADLP CC1CC[NH+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001576205617 950530506 /nfs/dbraw/zinc/53/05/06/950530506.db2.gz KYOKAZFQMKBQCD-UHFFFAOYSA-N 2 2 370.461 0.476 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205992 950556528 /nfs/dbraw/zinc/55/65/28/950556528.db2.gz SLLYBJXYWHTQKR-RHSMWYFYSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205992 950556547 /nfs/dbraw/zinc/55/65/47/950556547.db2.gz SLLYBJXYWHTQKR-RHSMWYFYSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205992 950556566 /nfs/dbraw/zinc/55/65/66/950556566.db2.gz SLLYBJXYWHTQKR-RHSMWYFYSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205992 950556574 /nfs/dbraw/zinc/55/65/74/950556574.db2.gz SLLYBJXYWHTQKR-RHSMWYFYSA-N 2 2 369.473 0.899 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981138 950573143 /nfs/dbraw/zinc/57/31/43/950573143.db2.gz DKDRVFMXOVHUCJ-SWLSCSKDSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001570981138 950573158 /nfs/dbraw/zinc/57/31/58/950573158.db2.gz DKDRVFMXOVHUCJ-SWLSCSKDSA-N 2 2 356.434 0.441 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207301 950594925 /nfs/dbraw/zinc/59/49/25/950594925.db2.gz DWSJOAKRPSCCNI-GFCCVEGCSA-N 2 2 363.491 0.818 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207301 950594943 /nfs/dbraw/zinc/59/49/43/950594943.db2.gz DWSJOAKRPSCCNI-GFCCVEGCSA-N 2 2 363.491 0.818 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207301 950594957 /nfs/dbraw/zinc/59/49/57/950594957.db2.gz DWSJOAKRPSCCNI-GFCCVEGCSA-N 2 2 363.491 0.818 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576207301 950594972 /nfs/dbraw/zinc/59/49/72/950594972.db2.gz DWSJOAKRPSCCNI-GFCCVEGCSA-N 2 2 363.491 0.818 20 0 FCADLP Cc1cc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039130 951651136 /nfs/dbraw/zinc/65/11/36/951651136.db2.gz YEUAVWIVFORLFM-RISCZKNCSA-N 2 2 367.417 0.359 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091263 951771565 /nfs/dbraw/zinc/77/15/65/951771565.db2.gz PILKUGPXESOHQZ-CYBMUJFWSA-N 2 2 354.418 0.605 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575092241 951791043 /nfs/dbraw/zinc/79/10/43/951791043.db2.gz ZJFMKOGFZQYKJJ-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575095091 951809120 /nfs/dbraw/zinc/80/91/20/951809120.db2.gz RDPLQVFOAZRKLV-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098090 951819588 /nfs/dbraw/zinc/81/95/88/951819588.db2.gz AKSQBCDDMCLVRF-JTQLQIEISA-N 2 2 360.447 0.736 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575105152 951890695 /nfs/dbraw/zinc/89/06/95/951890695.db2.gz HCSHSYJAPWEEFW-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001571076088 952102989 /nfs/dbraw/zinc/10/29/89/952102989.db2.gz KYBSOKDYJXOJEM-AWEZNQCLSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571076098 952105562 /nfs/dbraw/zinc/10/55/62/952105562.db2.gz LAQSMSKOCJBOLK-GUTXKFCHSA-N 2 2 370.461 0.687 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571076098 952105570 /nfs/dbraw/zinc/10/55/70/952105570.db2.gz LAQSMSKOCJBOLK-GUTXKFCHSA-N 2 2 370.461 0.687 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078856 952134773 /nfs/dbraw/zinc/13/47/73/952134773.db2.gz VGDGPBYKKWZJKF-MRXNPFEDSA-N 2 2 370.461 0.785 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078856 952134775 /nfs/dbraw/zinc/13/47/75/952134775.db2.gz VGDGPBYKKWZJKF-MRXNPFEDSA-N 2 2 370.461 0.785 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)CC1 ZINC001571104010 952364918 /nfs/dbraw/zinc/36/49/18/952364918.db2.gz YVGQPCAIYRDGMD-UHFFFAOYSA-N 2 2 372.477 0.827 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)CC1 ZINC001571104010 952364925 /nfs/dbraw/zinc/36/49/25/952364925.db2.gz YVGQPCAIYRDGMD-UHFFFAOYSA-N 2 2 372.477 0.827 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C[NH+](C)C ZINC000293048565 214141143 /nfs/dbraw/zinc/14/11/43/214141143.db2.gz AAUQCEFFGBWQGU-OAHLLOKOSA-N 2 2 362.474 0.771 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293112961 214146370 /nfs/dbraw/zinc/14/63/70/214146370.db2.gz YPMBOZWNBJQXNM-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293112961 214146373 /nfs/dbraw/zinc/14/63/73/214146373.db2.gz YPMBOZWNBJQXNM-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293112961 214146375 /nfs/dbraw/zinc/14/63/75/214146375.db2.gz YPMBOZWNBJQXNM-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293112961 214146379 /nfs/dbraw/zinc/14/63/79/214146379.db2.gz YPMBOZWNBJQXNM-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000293653516 214191243 /nfs/dbraw/zinc/19/12/43/214191243.db2.gz ISBORPQRSJHJNX-HNNXBMFYSA-N 2 2 372.473 0.723 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000293653516 214191245 /nfs/dbraw/zinc/19/12/45/214191245.db2.gz ISBORPQRSJHJNX-HNNXBMFYSA-N 2 2 372.473 0.723 20 0 FCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000294045492 214219731 /nfs/dbraw/zinc/21/97/31/214219731.db2.gz IXUNEEFQPJKEFW-ZIFCJYIRSA-N 2 2 361.486 0.946 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000294764876 214264218 /nfs/dbraw/zinc/26/42/18/214264218.db2.gz LZPBTDBKQXUULZ-UHFFFAOYSA-N 2 2 372.473 0.359 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000295215741 214285383 /nfs/dbraw/zinc/28/53/83/214285383.db2.gz QMULGTBCHHQXJR-QAPCUYQASA-N 2 2 360.458 0.044 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410626200 529408796 /nfs/dbraw/zinc/40/87/96/529408796.db2.gz YREQMNUSTRTZLN-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410626200 529408798 /nfs/dbraw/zinc/40/87/98/529408798.db2.gz YREQMNUSTRTZLN-IKGGRYGDSA-N 2 2 364.490 0.005 20 0 FCADLP CC1[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000296563943 214354128 /nfs/dbraw/zinc/35/41/28/214354128.db2.gz VJVGFKHLKDUMGF-HZPDHXFCSA-N 2 2 358.446 0.675 20 0 FCADLP COCC[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000291245230 214022371 /nfs/dbraw/zinc/02/23/71/214022371.db2.gz NLNAHFJDRJWFGO-QGZVFWFLSA-N 2 2 362.474 0.858 20 0 FCADLP COCC[C@@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000291245230 214022375 /nfs/dbraw/zinc/02/23/75/214022375.db2.gz NLNAHFJDRJWFGO-QGZVFWFLSA-N 2 2 362.474 0.858 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410630338 529696024 /nfs/dbraw/zinc/69/60/24/529696024.db2.gz GYCKWXAIMMOPAL-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410630338 529696027 /nfs/dbraw/zinc/69/60/27/529696027.db2.gz GYCKWXAIMMOPAL-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000410980192 529807515 /nfs/dbraw/zinc/80/75/15/529807515.db2.gz MVVABNVQSFHNBM-USXIJHARSA-N 2 2 358.442 0.614 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000410980192 529807516 /nfs/dbraw/zinc/80/75/16/529807516.db2.gz MVVABNVQSFHNBM-USXIJHARSA-N 2 2 358.442 0.614 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000410453911 529910516 /nfs/dbraw/zinc/91/05/16/529910516.db2.gz WPPSHPZRKSFNDJ-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000410453911 529910517 /nfs/dbraw/zinc/91/05/17/529910517.db2.gz WPPSHPZRKSFNDJ-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000167310643 530000079 /nfs/dbraw/zinc/00/00/79/530000079.db2.gz GNVFBPQHVRNKKF-UHFFFAOYSA-N 2 2 358.486 0.789 20 0 FCADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000167310643 530000081 /nfs/dbraw/zinc/00/00/81/530000081.db2.gz GNVFBPQHVRNKKF-UHFFFAOYSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265484267 210145883 /nfs/dbraw/zinc/14/58/83/210145883.db2.gz LQWGGNZEHLVDFE-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265484267 210145887 /nfs/dbraw/zinc/14/58/87/210145887.db2.gz LQWGGNZEHLVDFE-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265484267 210145891 /nfs/dbraw/zinc/14/58/91/210145891.db2.gz LQWGGNZEHLVDFE-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265484267 210145897 /nfs/dbraw/zinc/14/58/97/210145897.db2.gz LQWGGNZEHLVDFE-DLBZAZTESA-N 2 2 360.506 0.787 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000265363305 210106694 /nfs/dbraw/zinc/10/66/94/210106694.db2.gz GCMSOWREDORINA-UHFFFAOYSA-N 2 2 360.458 0.668 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000265363305 210106696 /nfs/dbraw/zinc/10/66/96/210106696.db2.gz GCMSOWREDORINA-UHFFFAOYSA-N 2 2 360.458 0.668 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331789311 215047157 /nfs/dbraw/zinc/04/71/57/215047157.db2.gz JQZHDKNWMPOIJR-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C[C@H]1C ZINC000331925687 215068239 /nfs/dbraw/zinc/06/82/39/215068239.db2.gz KLVNHPMHCCPROS-WBVHZDCISA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C[C@H]1C ZINC000331925687 215068244 /nfs/dbraw/zinc/06/82/44/215068244.db2.gz KLVNHPMHCCPROS-WBVHZDCISA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000331925687 215068246 /nfs/dbraw/zinc/06/82/46/215068246.db2.gz KLVNHPMHCCPROS-WBVHZDCISA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC000331925687 215068248 /nfs/dbraw/zinc/06/82/48/215068248.db2.gz KLVNHPMHCCPROS-WBVHZDCISA-N 2 2 367.490 0.726 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCc3ccncc3)CC2)CC1 ZINC000332026787 215080085 /nfs/dbraw/zinc/08/00/85/215080085.db2.gz XMDHRMCLYZUDQT-UHFFFAOYSA-N 2 2 367.519 0.124 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332026535 215080408 /nfs/dbraw/zinc/08/04/08/215080408.db2.gz YQOQDIHDANCXAA-OAHLLOKOSA-N 2 2 351.472 0.887 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332026535 215080412 /nfs/dbraw/zinc/08/04/12/215080412.db2.gz YQOQDIHDANCXAA-OAHLLOKOSA-N 2 2 351.472 0.887 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@@H]1C ZINC000332519458 215166642 /nfs/dbraw/zinc/16/66/42/215166642.db2.gz BMUGVGHAMCBFKT-GJZGRUSLSA-N 2 2 374.489 0.375 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@@H]1C ZINC000332519458 215166645 /nfs/dbraw/zinc/16/66/45/215166645.db2.gz BMUGVGHAMCBFKT-GJZGRUSLSA-N 2 2 374.489 0.375 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000332541281 215173594 /nfs/dbraw/zinc/17/35/94/215173594.db2.gz KZDHEXYIIIXERF-HUUCEWRRSA-N 2 2 360.458 0.969 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000332543725 215176014 /nfs/dbraw/zinc/17/60/14/215176014.db2.gz YQXNSEQAOYFLQK-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000332543725 215176018 /nfs/dbraw/zinc/17/60/18/215176018.db2.gz YQXNSEQAOYFLQK-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332549055 215177716 /nfs/dbraw/zinc/17/77/16/215177716.db2.gz ONYXIGICQYKBHD-INIZCTEOSA-N 2 2 359.474 0.529 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000332549055 215177720 /nfs/dbraw/zinc/17/77/20/215177720.db2.gz ONYXIGICQYKBHD-INIZCTEOSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000332556507 215178364 /nfs/dbraw/zinc/17/83/64/215178364.db2.gz TYBGCSCHISCGPZ-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000332556507 215178365 /nfs/dbraw/zinc/17/83/65/215178365.db2.gz TYBGCSCHISCGPZ-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000332611212 215189267 /nfs/dbraw/zinc/18/92/67/215189267.db2.gz BWCYMGYPXCDZQY-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000332619496 215192161 /nfs/dbraw/zinc/19/21/61/215192161.db2.gz QXILWRKVWQTFST-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000332619496 215192163 /nfs/dbraw/zinc/19/21/63/215192163.db2.gz QXILWRKVWQTFST-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)C[C@H]1C ZINC000332596281 215186122 /nfs/dbraw/zinc/18/61/22/215186122.db2.gz KZLCJWXNGPVYEW-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)C[C@H]1C ZINC000332596281 215186125 /nfs/dbraw/zinc/18/61/25/215186125.db2.gz KZLCJWXNGPVYEW-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)C[C@H]1C ZINC000332596281 215186128 /nfs/dbraw/zinc/18/61/28/215186128.db2.gz KZLCJWXNGPVYEW-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)C[C@H]1C ZINC000332596281 215186131 /nfs/dbraw/zinc/18/61/31/215186131.db2.gz KZLCJWXNGPVYEW-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000332661687 215199994 /nfs/dbraw/zinc/19/99/94/215199994.db2.gz ODAZVMFDXUBIOK-ULQDDVLXSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000332805942 215212205 /nfs/dbraw/zinc/21/22/05/215212205.db2.gz BUXSPOIUWPPIQS-SQNIBIBYSA-N 2 2 368.522 0.848 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000332991053 215222362 /nfs/dbraw/zinc/22/23/62/215222362.db2.gz KUHJIPDFFPMCEY-GVDBMIGSSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000332991053 215222363 /nfs/dbraw/zinc/22/23/63/215222363.db2.gz KUHJIPDFFPMCEY-GVDBMIGSSA-N 2 2 368.522 0.990 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018885 215224530 /nfs/dbraw/zinc/22/45/30/215224530.db2.gz HTKWPAUAXLMGNH-HZPDHXFCSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018885 215224532 /nfs/dbraw/zinc/22/45/32/215224532.db2.gz HTKWPAUAXLMGNH-HZPDHXFCSA-N 2 2 372.535 0.039 20 0 FCADLP O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333073474 215230828 /nfs/dbraw/zinc/23/08/28/215230828.db2.gz VHAAXQOQMFBMHU-GOSISDBHSA-N 2 2 362.499 0.604 20 0 FCADLP O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333073474 215230830 /nfs/dbraw/zinc/23/08/30/215230830.db2.gz VHAAXQOQMFBMHU-GOSISDBHSA-N 2 2 362.499 0.604 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCN1C ZINC000333204016 215249119 /nfs/dbraw/zinc/24/91/19/215249119.db2.gz BKVMIIYMEBZZAO-IRXDYDNUSA-N 2 2 361.490 0.879 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214698 215251950 /nfs/dbraw/zinc/25/19/50/215251950.db2.gz CGMQWCLJQRTPNJ-IPYPFGDCSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214698 215251953 /nfs/dbraw/zinc/25/19/53/215251953.db2.gz CGMQWCLJQRTPNJ-IPYPFGDCSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214698 215251958 /nfs/dbraw/zinc/25/19/58/215251958.db2.gz CGMQWCLJQRTPNJ-IPYPFGDCSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333655867 215305908 /nfs/dbraw/zinc/30/59/08/215305908.db2.gz KQUPBQXTFJRPLV-TZMCWYRMSA-N 2 2 358.450 0.335 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000333711724 215312999 /nfs/dbraw/zinc/31/29/99/215312999.db2.gz SLNWBOLFLRCJCO-IXDOHACOSA-N 2 2 365.522 0.842 20 0 FCADLP COCC1(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC[NH2+]CC1 ZINC000333740406 215315427 /nfs/dbraw/zinc/31/54/27/215315427.db2.gz XNPCOQHRZMFHTE-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333807634 215321795 /nfs/dbraw/zinc/32/17/95/215321795.db2.gz FUBUTOIEYAHROE-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000333807634 215321797 /nfs/dbraw/zinc/32/17/97/215321797.db2.gz FUBUTOIEYAHROE-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000333840675 215325020 /nfs/dbraw/zinc/32/50/20/215325020.db2.gz ODZPBAPNPAAWLI-BZUAXINKSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333899646 215330119 /nfs/dbraw/zinc/33/01/19/215330119.db2.gz ZPOSINZWINZQCZ-CVEARBPZSA-N 2 2 351.495 0.467 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334003732 215335680 /nfs/dbraw/zinc/33/56/80/215335680.db2.gz HPNLMJHEJOKGEZ-JKSUJKDBSA-N 2 2 353.511 0.570 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334003732 215335683 /nfs/dbraw/zinc/33/56/83/215335683.db2.gz HPNLMJHEJOKGEZ-JKSUJKDBSA-N 2 2 353.511 0.570 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000334021461 215337344 /nfs/dbraw/zinc/33/73/44/215337344.db2.gz DFENIAQPCZPDRC-IAGOWNOFSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000334102900 215343955 /nfs/dbraw/zinc/34/39/55/215343955.db2.gz GOSBBAGXYDJMSS-JKSUJKDBSA-N 2 2 353.511 0.665 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000285678334 213376010 /nfs/dbraw/zinc/37/60/10/213376010.db2.gz PUXHHLTWLFEXQX-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000285678334 213376014 /nfs/dbraw/zinc/37/60/14/213376014.db2.gz PUXHHLTWLFEXQX-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000285617869 213367663 /nfs/dbraw/zinc/36/76/63/213367663.db2.gz MPUNNRLPJCBROT-DLBZAZTESA-N 2 2 371.485 0.851 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000285617869 213367665 /nfs/dbraw/zinc/36/76/65/213367665.db2.gz MPUNNRLPJCBROT-DLBZAZTESA-N 2 2 371.485 0.851 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000361503250 215396581 /nfs/dbraw/zinc/39/65/81/215396581.db2.gz FJJDPRGLVBYUBF-MRXNPFEDSA-N 2 2 369.473 0.564 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000285120617 213287021 /nfs/dbraw/zinc/28/70/21/213287021.db2.gz REEVMTBWBITOSC-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000285120617 213287023 /nfs/dbraw/zinc/28/70/23/213287023.db2.gz REEVMTBWBITOSC-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP C[N@@H+]1CC[C@H]2OCCN(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000284933635 213251989 /nfs/dbraw/zinc/25/19/89/213251989.db2.gz UXDOLOFKSYKTAG-ZWKOTPCHSA-N 2 2 373.501 0.525 20 0 FCADLP C[N@H+]1CC[C@H]2OCCN(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000284933635 213251991 /nfs/dbraw/zinc/25/19/91/213251991.db2.gz UXDOLOFKSYKTAG-ZWKOTPCHSA-N 2 2 373.501 0.525 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000284852051 213234806 /nfs/dbraw/zinc/23/48/06/213234806.db2.gz FAWPMJBYCAFCQH-HNNXBMFYSA-N 2 2 364.515 0.775 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000284852051 213234809 /nfs/dbraw/zinc/23/48/09/213234809.db2.gz FAWPMJBYCAFCQH-HNNXBMFYSA-N 2 2 364.515 0.775 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000284804188 213224780 /nfs/dbraw/zinc/22/47/80/213224780.db2.gz LFBOPFDXLZKHMV-UHFFFAOYSA-N 2 2 359.405 0.838 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000284728698 213207018 /nfs/dbraw/zinc/20/70/18/213207018.db2.gz YWNNYRQFOMNSNL-MRXNPFEDSA-N 2 2 350.438 0.709 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c[nH+]1 ZINC000284583378 213173823 /nfs/dbraw/zinc/17/38/23/213173823.db2.gz NYRHDUSIBKBDNQ-UHFFFAOYSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540439 213165476 /nfs/dbraw/zinc/16/54/76/213165476.db2.gz SIPCVESGMQOZKU-YOEHRIQHSA-N 2 2 371.485 0.897 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540439 213165479 /nfs/dbraw/zinc/16/54/79/213165479.db2.gz SIPCVESGMQOZKU-YOEHRIQHSA-N 2 2 371.485 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c[nH+]1 ZINC000284510038 213156287 /nfs/dbraw/zinc/15/62/87/213156287.db2.gz JIZBZBILJDKPLE-MRXNPFEDSA-N 2 2 359.474 0.851 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000284433739 213138622 /nfs/dbraw/zinc/13/86/22/213138622.db2.gz YTIYHWJRHMSRDJ-HNNXBMFYSA-N 2 2 368.503 0.258 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284292316 213105259 /nfs/dbraw/zinc/10/52/59/213105259.db2.gz KJWLVTDDNTWWSH-OAHLLOKOSA-N 2 2 361.421 0.785 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccncc1 ZINC000284228033 213102025 /nfs/dbraw/zinc/10/20/25/213102025.db2.gz TUAKTIDVWFRTFX-UHFFFAOYSA-N 2 2 361.490 0.225 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccncc1 ZINC000284228033 213102027 /nfs/dbraw/zinc/10/20/27/213102027.db2.gz TUAKTIDVWFRTFX-UHFFFAOYSA-N 2 2 361.490 0.225 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000284150683 213085825 /nfs/dbraw/zinc/08/58/25/213085825.db2.gz VVVKRKICYYXCQL-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284149208 213085426 /nfs/dbraw/zinc/08/54/26/213085426.db2.gz XXVWUMGBZJNJOF-MRXNPFEDSA-N 2 2 355.442 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284149208 213085428 /nfs/dbraw/zinc/08/54/28/213085428.db2.gz XXVWUMGBZJNJOF-MRXNPFEDSA-N 2 2 355.442 0.732 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc(-n2ccnn2)c1 ZINC000284121120 213077899 /nfs/dbraw/zinc/07/78/99/213077899.db2.gz UYEIPBPMIKUEGS-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc(-n2ccnn2)c1 ZINC000284121120 213077903 /nfs/dbraw/zinc/07/79/03/213077903.db2.gz UYEIPBPMIKUEGS-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000283974259 213047004 /nfs/dbraw/zinc/04/70/04/213047004.db2.gz NWLTXDQECIPTAJ-OAHLLOKOSA-N 2 2 373.457 0.568 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000283974259 213047005 /nfs/dbraw/zinc/04/70/05/213047005.db2.gz NWLTXDQECIPTAJ-OAHLLOKOSA-N 2 2 373.457 0.568 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000283957156 213042334 /nfs/dbraw/zinc/04/23/34/213042334.db2.gz FOUIHFMTVQUYRG-CQSZACIVSA-N 2 2 355.398 0.963 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000283923451 213036628 /nfs/dbraw/zinc/03/66/28/213036628.db2.gz DRCDJJDGCZDUMR-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000283927537 213036761 /nfs/dbraw/zinc/03/67/61/213036761.db2.gz DUSKDNXIJNKGOA-KGLIPLIRSA-N 2 2 368.503 0.304 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000283870054 213022431 /nfs/dbraw/zinc/02/24/31/213022431.db2.gz JQFVDSBQZIPCKF-HNNXBMFYSA-N 2 2 359.430 0.936 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283855352 213021499 /nfs/dbraw/zinc/02/14/99/213021499.db2.gz GTXGCIRONHMUEH-CQSZACIVSA-N 2 2 355.442 0.594 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000283855352 213021504 /nfs/dbraw/zinc/02/15/04/213021504.db2.gz GTXGCIRONHMUEH-CQSZACIVSA-N 2 2 355.442 0.594 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000283857127 213020959 /nfs/dbraw/zinc/02/09/59/213020959.db2.gz FZEZIARDPKELDI-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)CC2)c1 ZINC000412056896 237154408 /nfs/dbraw/zinc/15/44/08/237154408.db2.gz VKLYLEXVOYYDPD-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@H](CO)C3)CC2)c1 ZINC000412056896 237154420 /nfs/dbraw/zinc/15/44/20/237154420.db2.gz VKLYLEXVOYYDPD-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@]2(CCCOC2)O1 ZINC000366620475 216004312 /nfs/dbraw/zinc/00/43/12/216004312.db2.gz RFFHEGSCXWPBPZ-LPHOPBHVSA-N 2 2 368.522 0.992 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000413045370 237269818 /nfs/dbraw/zinc/26/98/18/237269818.db2.gz MKRXYKOHNIIBSR-UHFFFAOYSA-N 2 2 372.510 0.086 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413399096 237326432 /nfs/dbraw/zinc/32/64/32/237326432.db2.gz IMHOCLFULPNLDL-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413399096 237326438 /nfs/dbraw/zinc/32/64/38/237326438.db2.gz IMHOCLFULPNLDL-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000413487987 237348176 /nfs/dbraw/zinc/34/81/76/237348176.db2.gz NZKKHYPZPDAXTF-KRWDZBQOSA-N 2 2 368.522 0.992 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000413487987 237348183 /nfs/dbraw/zinc/34/81/83/237348183.db2.gz NZKKHYPZPDAXTF-KRWDZBQOSA-N 2 2 368.522 0.992 20 0 FCADLP Cc1nn(C)c(=O)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000367038020 216066846 /nfs/dbraw/zinc/06/68/46/216066846.db2.gz NUMSZEUAGVIDGS-MRXNPFEDSA-N 2 2 361.490 0.638 20 0 FCADLP Cc1nn(C)c(=O)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000367038020 216066849 /nfs/dbraw/zinc/06/68/49/216066849.db2.gz NUMSZEUAGVIDGS-MRXNPFEDSA-N 2 2 361.490 0.638 20 0 FCADLP NS(=O)(=O)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000367133657 216080486 /nfs/dbraw/zinc/08/04/86/216080486.db2.gz OTENTBIERDNFMR-UHFFFAOYSA-N 2 2 366.531 0.952 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000368020761 216193399 /nfs/dbraw/zinc/19/33/99/216193399.db2.gz PUPCQFQERCFRBE-WBVHZDCISA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000368020761 216193401 /nfs/dbraw/zinc/19/34/01/216193401.db2.gz PUPCQFQERCFRBE-WBVHZDCISA-N 2 2 362.478 0.773 20 0 FCADLP CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368037991 216194875 /nfs/dbraw/zinc/19/48/75/216194875.db2.gz BLZJXPTYMMAHSK-AWEZNQCLSA-N 2 2 358.446 0.904 20 0 FCADLP CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368037991 216194879 /nfs/dbraw/zinc/19/48/79/216194879.db2.gz BLZJXPTYMMAHSK-AWEZNQCLSA-N 2 2 358.446 0.904 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1CCOC ZINC000368179432 216212361 /nfs/dbraw/zinc/21/23/61/216212361.db2.gz NRFWOWPYIGZXIP-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368179432 216212363 /nfs/dbraw/zinc/21/23/63/216212363.db2.gz NRFWOWPYIGZXIP-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179432 216212366 /nfs/dbraw/zinc/21/23/66/216212366.db2.gz NRFWOWPYIGZXIP-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179432 216212370 /nfs/dbraw/zinc/21/23/70/216212370.db2.gz NRFWOWPYIGZXIP-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C1 ZINC000246731566 209398911 /nfs/dbraw/zinc/39/89/11/209398911.db2.gz VYTWUPHIFPUJHD-MSOLQXFVSA-N 2 2 357.539 0.889 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C1 ZINC000246731566 209398907 /nfs/dbraw/zinc/39/89/07/209398907.db2.gz VYTWUPHIFPUJHD-MSOLQXFVSA-N 2 2 357.539 0.889 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245572814 209370456 /nfs/dbraw/zinc/37/04/56/209370456.db2.gz HAYHFOFEHXALEI-LSDHHAIUSA-N 2 2 371.507 0.164 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245572814 209370460 /nfs/dbraw/zinc/37/04/60/209370460.db2.gz HAYHFOFEHXALEI-LSDHHAIUSA-N 2 2 371.507 0.164 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000246110706 209378594 /nfs/dbraw/zinc/37/85/94/209378594.db2.gz JIJNCJGFXKPKRU-WBVHZDCISA-N 2 2 359.474 0.895 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000246110706 209378599 /nfs/dbraw/zinc/37/85/99/209378599.db2.gz JIJNCJGFXKPKRU-WBVHZDCISA-N 2 2 359.474 0.895 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000245684188 209372946 /nfs/dbraw/zinc/37/29/46/209372946.db2.gz GUHURVVDAUBDNC-ULQDDVLXSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237776843 209358537 /nfs/dbraw/zinc/35/85/37/209358537.db2.gz ZCKRTFPFCPIQRS-IRXDYDNUSA-N 2 2 362.518 0.921 20 0 FCADLP CC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000236970069 209346630 /nfs/dbraw/zinc/34/66/30/209346630.db2.gz FFDXKBMIKTWPTH-HNNXBMFYSA-N 2 2 354.476 0.689 20 0 FCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3C[NH2+]CCO3)CCCC2)no1 ZINC000236942665 209346692 /nfs/dbraw/zinc/34/66/92/209346692.db2.gz UYUUTAGOVAUKNK-ZDUSSCGKSA-N 2 2 351.451 0.785 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)cc1 ZINC000368338490 216235289 /nfs/dbraw/zinc/23/52/89/216235289.db2.gz VEOJOKJCLPGXLK-BWTSREIZSA-N 2 2 359.470 0.510 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)cc1 ZINC000368338490 216235291 /nfs/dbraw/zinc/23/52/91/216235291.db2.gz VEOJOKJCLPGXLK-BWTSREIZSA-N 2 2 359.470 0.510 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193916545 209320595 /nfs/dbraw/zinc/32/05/95/209320595.db2.gz HCOZFGOIEQQHDN-UHFFFAOYSA-N 2 2 373.501 0.713 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193916545 209320597 /nfs/dbraw/zinc/32/05/97/209320597.db2.gz HCOZFGOIEQQHDN-UHFFFAOYSA-N 2 2 373.501 0.713 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193916545 209320599 /nfs/dbraw/zinc/32/05/99/209320599.db2.gz HCOZFGOIEQQHDN-UHFFFAOYSA-N 2 2 373.501 0.713 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193916545 209320602 /nfs/dbraw/zinc/32/06/02/209320602.db2.gz HCOZFGOIEQQHDN-UHFFFAOYSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193814960 209319141 /nfs/dbraw/zinc/31/91/41/209319141.db2.gz NJNNYVHKAWQADZ-OAHLLOKOSA-N 2 2 362.474 0.979 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000368980455 216329150 /nfs/dbraw/zinc/32/91/50/216329150.db2.gz GSLOOAFAGMONSB-QZTJIDSGSA-N 2 2 367.538 0.253 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051711 216339627 /nfs/dbraw/zinc/33/96/27/216339627.db2.gz YNCYYYHXEKJCLV-QZTJIDSGSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000369051711 216339629 /nfs/dbraw/zinc/33/96/29/216339629.db2.gz YNCYYYHXEKJCLV-QZTJIDSGSA-N 2 2 359.474 0.772 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000190707747 209277337 /nfs/dbraw/zinc/27/73/37/209277337.db2.gz KKWXRDXFQHJWOQ-MSOLQXFVSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSc3nnnn3C3CC3)C2)CC1 ZINC000369264833 216372262 /nfs/dbraw/zinc/37/22/62/216372262.db2.gz CKNPBXIVEVEVSX-LBPRGKRZSA-N 2 2 365.507 0.385 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSc3nnnn3C3CC3)C2)CC1 ZINC000369264833 216372265 /nfs/dbraw/zinc/37/22/65/216372265.db2.gz CKNPBXIVEVEVSX-LBPRGKRZSA-N 2 2 365.507 0.385 20 0 FCADLP CN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2C1=O ZINC000369266205 216372309 /nfs/dbraw/zinc/37/23/09/216372309.db2.gz KOZUAXQSOIJHRH-CQSZACIVSA-N 2 2 370.453 0.811 20 0 FCADLP CN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2C1=O ZINC000369266205 216372311 /nfs/dbraw/zinc/37/23/11/216372311.db2.gz KOZUAXQSOIJHRH-CQSZACIVSA-N 2 2 370.453 0.811 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374176 216391671 /nfs/dbraw/zinc/39/16/71/216391671.db2.gz RBQPRGFJORSVAK-KBPBESRZSA-N 2 2 353.511 0.757 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374176 216391676 /nfs/dbraw/zinc/39/16/76/216391676.db2.gz RBQPRGFJORSVAK-KBPBESRZSA-N 2 2 353.511 0.757 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](C4OCCO4)C3)C2)CC1 ZINC000369362955 216389777 /nfs/dbraw/zinc/38/97/77/216389777.db2.gz IHKOPUOSUCIXDP-HOTGVXAUSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](C4OCCO4)C3)C2)CC1 ZINC000369362955 216389780 /nfs/dbraw/zinc/38/97/80/216389780.db2.gz IHKOPUOSUCIXDP-HOTGVXAUSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(=O)N3CCCCC3)C2)CC1 ZINC000369388032 216394942 /nfs/dbraw/zinc/39/49/42/216394942.db2.gz RJGYNONRMYXTOS-HNNXBMFYSA-N 2 2 351.495 0.467 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(=O)N3CCCCC3)C2)CC1 ZINC000369388032 216394945 /nfs/dbraw/zinc/39/49/45/216394945.db2.gz RJGYNONRMYXTOS-HNNXBMFYSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000188945330 209242614 /nfs/dbraw/zinc/24/26/14/209242614.db2.gz OSYLIRRXZMFLOJ-SJORKVTESA-N 2 2 369.554 0.357 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000188945330 209242617 /nfs/dbraw/zinc/24/26/17/209242617.db2.gz OSYLIRRXZMFLOJ-SJORKVTESA-N 2 2 369.554 0.357 20 0 FCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000188763451 209238445 /nfs/dbraw/zinc/23/84/45/209238445.db2.gz JOJYQECIVCBFAL-YQQAZPJKSA-N 2 2 351.422 0.271 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000188728248 209236986 /nfs/dbraw/zinc/23/69/86/209236986.db2.gz VPDYBFMZXJBBQP-PKOBYXMFSA-N 2 2 360.502 0.500 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000188728248 209236992 /nfs/dbraw/zinc/23/69/92/209236992.db2.gz VPDYBFMZXJBBQP-PKOBYXMFSA-N 2 2 360.502 0.500 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188586019 209234073 /nfs/dbraw/zinc/23/40/73/209234073.db2.gz IPSHJWZAPILTBE-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188586019 209234075 /nfs/dbraw/zinc/23/40/75/209234075.db2.gz IPSHJWZAPILTBE-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000188504835 209231822 /nfs/dbraw/zinc/23/18/22/209231822.db2.gz LKNIZHZGRBEFJD-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000188504835 209231823 /nfs/dbraw/zinc/23/18/23/209231823.db2.gz LKNIZHZGRBEFJD-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000188504835 209231826 /nfs/dbraw/zinc/23/18/26/209231826.db2.gz LKNIZHZGRBEFJD-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000188504835 209231827 /nfs/dbraw/zinc/23/18/27/209231827.db2.gz LKNIZHZGRBEFJD-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000277089941 212328011 /nfs/dbraw/zinc/32/80/11/212328011.db2.gz UBYIDQDDTXLODN-INIZCTEOSA-N 2 2 370.457 0.969 20 0 FCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000188190882 209225398 /nfs/dbraw/zinc/22/53/98/209225398.db2.gz DIDORDINYSJRSH-HNNXBMFYSA-N 2 2 356.426 0.862 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000188155818 209223748 /nfs/dbraw/zinc/22/37/48/209223748.db2.gz BVXUPBHWWFBDIH-UHFFFAOYSA-N 2 2 371.441 0.864 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000188155818 209223751 /nfs/dbraw/zinc/22/37/51/209223751.db2.gz BVXUPBHWWFBDIH-UHFFFAOYSA-N 2 2 371.441 0.864 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000187304762 209210286 /nfs/dbraw/zinc/21/02/86/209210286.db2.gz MBVDQHGAICAZOX-IRXDYDNUSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000187304762 209210289 /nfs/dbraw/zinc/21/02/89/209210289.db2.gz MBVDQHGAICAZOX-IRXDYDNUSA-N 2 2 370.538 0.830 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000187129307 209206513 /nfs/dbraw/zinc/20/65/13/209206513.db2.gz VSJWYKNNPSIZHM-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000187129307 209206516 /nfs/dbraw/zinc/20/65/16/209206516.db2.gz VSJWYKNNPSIZHM-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000186659226 209194564 /nfs/dbraw/zinc/19/45/64/209194564.db2.gz NULFKTUQAFPDFQ-OAHLLOKOSA-N 2 2 360.524 0.054 20 0 FCADLP C[C@H](O)C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO ZINC000276211722 212187519 /nfs/dbraw/zinc/18/75/19/212187519.db2.gz OZWJXEPYZZVDRJ-HOTGVXAUSA-N 2 2 365.474 0.521 20 0 FCADLP C[C@H](O)C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO ZINC000276211722 212187522 /nfs/dbraw/zinc/18/75/22/212187522.db2.gz OZWJXEPYZZVDRJ-HOTGVXAUSA-N 2 2 365.474 0.521 20 0 FCADLP COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000275904147 212115445 /nfs/dbraw/zinc/11/54/45/212115445.db2.gz PNPVQXRLSWBMNP-UHFFFAOYSA-N 2 2 359.430 0.768 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275900966 212115350 /nfs/dbraw/zinc/11/53/50/212115350.db2.gz UFLOMLDDXVXZAI-OAHLLOKOSA-N 2 2 362.474 0.254 20 0 FCADLP CCc1nn(C)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275738736 212083015 /nfs/dbraw/zinc/08/30/15/212083015.db2.gz WAJMYTDSNCDEQY-UHFFFAOYSA-N 2 2 364.494 0.405 20 0 FCADLP CCc1nn(C)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275738736 212083018 /nfs/dbraw/zinc/08/30/18/212083018.db2.gz WAJMYTDSNCDEQY-UHFFFAOYSA-N 2 2 364.494 0.405 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275481513 212034864 /nfs/dbraw/zinc/03/48/64/212034864.db2.gz ADUIYJBEDUHNKT-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000414607522 245305799 /nfs/dbraw/zinc/30/57/99/245305799.db2.gz FSHZASWSNCAHEA-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000414607522 245305804 /nfs/dbraw/zinc/30/58/04/245305804.db2.gz FSHZASWSNCAHEA-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000414607522 245305810 /nfs/dbraw/zinc/30/58/10/245305810.db2.gz FSHZASWSNCAHEA-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000414607522 245305814 /nfs/dbraw/zinc/30/58/14/245305814.db2.gz FSHZASWSNCAHEA-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@@H](C[NH3+])N(C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415025424 245341447 /nfs/dbraw/zinc/34/14/47/245341447.db2.gz QXWBVOMTLCSLMK-ZDUSSCGKSA-N 2 2 369.491 0.434 20 0 FCADLP CC[C@@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415027929 245341493 /nfs/dbraw/zinc/34/14/93/245341493.db2.gz XHYBUGAQKZBGIP-CYBMUJFWSA-N 2 2 369.491 0.482 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000415235848 245365400 /nfs/dbraw/zinc/36/54/00/245365400.db2.gz XEHOFZNEGIUORX-YOEHRIQHSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415268455 245373181 /nfs/dbraw/zinc/37/31/81/245373181.db2.gz JSGDZWNXRISCEE-GDBMZVCRSA-N 2 2 360.458 0.968 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491373 217023150 /nfs/dbraw/zinc/02/31/50/217023150.db2.gz YMKRBNOULBIZGH-ROUUACIJSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491373 217023154 /nfs/dbraw/zinc/02/31/54/217023154.db2.gz YMKRBNOULBIZGH-ROUUACIJSA-N 2 2 353.507 0.960 20 0 FCADLP CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076189 217093322 /nfs/dbraw/zinc/09/33/22/217093322.db2.gz ZYURGTPYNSLSOG-LPHOPBHVSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076189 217093325 /nfs/dbraw/zinc/09/33/25/217093325.db2.gz ZYURGTPYNSLSOG-LPHOPBHVSA-N 2 2 369.506 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000374325710 217118199 /nfs/dbraw/zinc/11/81/99/217118199.db2.gz QMCRRSHGLLNXEV-BDXSIMOUSA-N 2 2 352.523 0.580 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000374325710 217118200 /nfs/dbraw/zinc/11/82/00/217118200.db2.gz QMCRRSHGLLNXEV-BDXSIMOUSA-N 2 2 352.523 0.580 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1(C)C ZINC000374232542 217111608 /nfs/dbraw/zinc/11/16/08/217111608.db2.gz VVKWRQLFVCWABA-KRWDZBQOSA-N 2 2 352.523 0.772 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1(C)C ZINC000374232542 217111610 /nfs/dbraw/zinc/11/16/10/217111610.db2.gz VVKWRQLFVCWABA-KRWDZBQOSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+]1CCN(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000374232542 217111611 /nfs/dbraw/zinc/11/16/11/217111611.db2.gz VVKWRQLFVCWABA-KRWDZBQOSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+]1CCN(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000374232542 217111614 /nfs/dbraw/zinc/11/16/14/217111614.db2.gz VVKWRQLFVCWABA-KRWDZBQOSA-N 2 2 352.523 0.772 20 0 FCADLP COc1ccccc1[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]1 ZINC000374376383 217123859 /nfs/dbraw/zinc/12/38/59/217123859.db2.gz DIGLRAAIDYMCBE-RDJZCZTQSA-N 2 2 374.485 0.578 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374423755 217128878 /nfs/dbraw/zinc/12/88/78/217128878.db2.gz XNSHPUQXPLSLFA-BYNSBNAKSA-N 2 2 356.467 0.031 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374423755 217128880 /nfs/dbraw/zinc/12/88/80/217128880.db2.gz XNSHPUQXPLSLFA-BYNSBNAKSA-N 2 2 356.467 0.031 20 0 FCADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374998710 217203081 /nfs/dbraw/zinc/20/30/81/217203081.db2.gz OAQDVZKWOXJJKB-MRXNPFEDSA-N 2 2 372.473 0.882 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000374948617 217195042 /nfs/dbraw/zinc/19/50/42/217195042.db2.gz QXARTZJVSXKIEW-INIZCTEOSA-N 2 2 365.522 0.855 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000374948617 217195045 /nfs/dbraw/zinc/19/50/45/217195045.db2.gz QXARTZJVSXKIEW-INIZCTEOSA-N 2 2 365.522 0.855 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCOCC2)c1 ZINC000417004303 245662249 /nfs/dbraw/zinc/66/22/49/245662249.db2.gz WRJVSNHOLNIMLN-QZTJIDSGSA-N 2 2 362.474 0.737 20 0 FCADLP C[C@@H]1OCC[C@]12CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CCO2 ZINC000375675824 217297336 /nfs/dbraw/zinc/29/73/36/217297336.db2.gz UXYJKSWEEJWIPF-YJBOKZPZSA-N 2 2 354.495 0.602 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376254081 217376035 /nfs/dbraw/zinc/37/60/35/217376035.db2.gz JLXPMGJVKVKQBF-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419155818 246021572 /nfs/dbraw/zinc/02/15/72/246021572.db2.gz RXFYUBKSUVDLJH-MRXNPFEDSA-N 2 2 355.442 0.692 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228987 246067218 /nfs/dbraw/zinc/06/72/18/246067218.db2.gz HAMLIKYTONOVLI-MJBXVCDLSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228987 246067228 /nfs/dbraw/zinc/06/72/28/246067228.db2.gz HAMLIKYTONOVLI-MJBXVCDLSA-N 2 2 364.515 0.820 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419277696 246085016 /nfs/dbraw/zinc/08/50/16/246085016.db2.gz MPUVZSIKVXMNSO-SJORKVTESA-N 2 2 353.426 0.368 20 0 FCADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@@H]12 ZINC000419277633 246085158 /nfs/dbraw/zinc/08/51/58/246085158.db2.gz MGZXVSOORSQBPH-KZNAEPCWSA-N 2 2 367.453 0.743 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)[nH+]c1 ZINC000419300617 246090388 /nfs/dbraw/zinc/09/03/88/246090388.db2.gz MHKYSYHDTVNKBS-GJZGRUSLSA-N 2 2 359.474 0.684 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)[C@H](C)C[NH2+]1 ZINC000419303878 246090900 /nfs/dbraw/zinc/09/09/00/246090900.db2.gz ISMVSCDPLPTMTE-HUUCEWRRSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419395522 246133441 /nfs/dbraw/zinc/13/34/41/246133441.db2.gz USAQPFCVBBYFSS-KCPJHIHWSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419395522 246133445 /nfs/dbraw/zinc/13/34/45/246133445.db2.gz USAQPFCVBBYFSS-KCPJHIHWSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000419429342 246158167 /nfs/dbraw/zinc/15/81/67/246158167.db2.gz UMPVIVHTNZLAKX-INIZCTEOSA-N 2 2 362.474 0.201 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000419623844 246223005 /nfs/dbraw/zinc/22/30/05/246223005.db2.gz GDROZEGJUVLRSK-CQSZACIVSA-N 2 2 361.481 0.993 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000419623844 246223008 /nfs/dbraw/zinc/22/30/08/246223008.db2.gz GDROZEGJUVLRSK-CQSZACIVSA-N 2 2 361.481 0.993 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419640649 246226080 /nfs/dbraw/zinc/22/60/80/246226080.db2.gz KTNAAJDQHCSATB-RHSMWYFYSA-N 2 2 355.442 0.662 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419640305 246227108 /nfs/dbraw/zinc/22/71/08/246227108.db2.gz HLMNYLGFOZWJQC-UHFFFAOYSA-N 2 2 353.426 0.919 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000419691987 246252012 /nfs/dbraw/zinc/25/20/12/246252012.db2.gz XOCFYXGIVCPGTH-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419841718 246317221 /nfs/dbraw/zinc/31/72/21/246317221.db2.gz GVTUJPIEDCGCIG-OAHLLOKOSA-N 2 2 359.474 0.545 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419844750 246318802 /nfs/dbraw/zinc/31/88/02/246318802.db2.gz OISMLCNRODLXNP-RDJZCZTQSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858029 246328428 /nfs/dbraw/zinc/32/84/28/246328428.db2.gz KXUJRPXPHLVXBK-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419858029 246328433 /nfs/dbraw/zinc/32/84/33/246328433.db2.gz KXUJRPXPHLVXBK-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419861791 246330828 /nfs/dbraw/zinc/33/08/28/246330828.db2.gz PVLVKSZRVLVYDM-SQUITACLSA-N 2 2 370.497 0.960 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419861786 246331041 /nfs/dbraw/zinc/33/10/41/246331041.db2.gz PVLVKSZRVLVYDM-FVXMCEBTSA-N 2 2 370.497 0.960 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419869024 246337310 /nfs/dbraw/zinc/33/73/10/246337310.db2.gz VZEIZZLRQXJLRP-QGZVFWFLSA-N 2 2 358.486 0.755 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419922072 246371354 /nfs/dbraw/zinc/37/13/54/246371354.db2.gz OIZJQBGNDXODBI-UKTKYZJWSA-N 2 2 356.470 0.570 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419926366 246373336 /nfs/dbraw/zinc/37/33/36/246373336.db2.gz BELQOCARMXVWKW-LSDHHAIUSA-N 2 2 361.490 0.897 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000419932546 246374476 /nfs/dbraw/zinc/37/44/76/246374476.db2.gz DVEFERKENHNTDH-HNNXBMFYSA-N 2 2 362.474 0.311 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000419875861 246343120 /nfs/dbraw/zinc/34/31/20/246343120.db2.gz OWMFZHRODSXLEQ-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000419894860 246356499 /nfs/dbraw/zinc/35/64/99/246356499.db2.gz RNMRSNWKVLWBON-OAHLLOKOSA-N 2 2 362.474 0.626 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419907915 246363872 /nfs/dbraw/zinc/36/38/72/246363872.db2.gz CXZGZXGEALJEQT-SJORKVTESA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419907915 246363880 /nfs/dbraw/zinc/36/38/80/246363880.db2.gz CXZGZXGEALJEQT-SJORKVTESA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419949920 246383450 /nfs/dbraw/zinc/38/34/50/246383450.db2.gz GPGAUIYXBVTFKU-SECBINFHSA-N 2 2 368.235 0.424 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)c1 ZINC000423014902 246947440 /nfs/dbraw/zinc/94/74/40/246947440.db2.gz QCLRLVCSHJIQRX-SFHVURJKSA-N 2 2 374.485 0.215 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423024810 246949399 /nfs/dbraw/zinc/94/93/99/246949399.db2.gz MSGRDVCPAGGEJI-QGZVFWFLSA-N 2 2 374.485 0.278 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423338355 247007792 /nfs/dbraw/zinc/00/77/92/247007792.db2.gz YYMYDEZKUQLAJY-IAGOWNOFSA-N 2 2 373.501 0.874 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000423357836 247011457 /nfs/dbraw/zinc/01/14/57/247011457.db2.gz BABLGFOCSGTDDI-GVDBMIGSSA-N 2 2 366.506 0.141 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000423365627 247012870 /nfs/dbraw/zinc/01/28/70/247012870.db2.gz KQCOCZLXMVSCBJ-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000423381148 247015510 /nfs/dbraw/zinc/01/55/10/247015510.db2.gz HSUVYWFCCLYLSS-MWDXBVQZSA-N 2 2 373.501 0.787 20 0 FCADLP O=C(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423390464 247018059 /nfs/dbraw/zinc/01/80/59/247018059.db2.gz WBIAXMSUIVUFSM-SJLPKXTDSA-N 2 2 372.469 0.909 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000423403337 247020124 /nfs/dbraw/zinc/02/01/24/247020124.db2.gz XKBNLKLXDQGWQM-ABAIWWIYSA-N 2 2 355.385 0.936 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000423403337 247020130 /nfs/dbraw/zinc/02/01/30/247020130.db2.gz XKBNLKLXDQGWQM-ABAIWWIYSA-N 2 2 355.385 0.936 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C[C@@H]21 ZINC000423394530 247020220 /nfs/dbraw/zinc/02/02/20/247020220.db2.gz ZWNDGWOKBAERJD-PQEBFOHHSA-N 2 2 358.442 0.647 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C[C@H]21 ZINC000423394526 247021055 /nfs/dbraw/zinc/02/10/55/247021055.db2.gz ZWNDGWOKBAERJD-MWQQHZPXSA-N 2 2 358.442 0.647 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000423253184 246987100 /nfs/dbraw/zinc/98/71/00/246987100.db2.gz VNUWWQUKMZDMON-HNNXBMFYSA-N 2 2 360.458 0.147 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[NH+]1CCOCC1 ZINC000423313347 247003900 /nfs/dbraw/zinc/00/39/00/247003900.db2.gz FOXKDFLKECSMFO-HNNXBMFYSA-N 2 2 352.483 0.494 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@H](C)C1 ZINC000423557635 247052316 /nfs/dbraw/zinc/05/23/16/247052316.db2.gz NKRBCELEDWSDGB-OAHLLOKOSA-N 2 2 362.474 0.535 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N(C)CC[NH3+])[C@H](C)C1 ZINC000423557635 247052319 /nfs/dbraw/zinc/05/23/19/247052319.db2.gz NKRBCELEDWSDGB-OAHLLOKOSA-N 2 2 362.474 0.535 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000423579017 247060630 /nfs/dbraw/zinc/06/06/30/247060630.db2.gz NDCYYCWNEKZCGY-HNNXBMFYSA-N 2 2 359.474 0.875 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000423519826 247042412 /nfs/dbraw/zinc/04/24/12/247042412.db2.gz JMHMIYWAKCOUSY-BQFCYCMXSA-N 2 2 372.469 0.909 20 0 FCADLP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000423685952 247108667 /nfs/dbraw/zinc/10/86/67/247108667.db2.gz YRAARXWOHQQNEF-GOSISDBHSA-N 2 2 374.485 0.297 20 0 FCADLP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423625217 247080576 /nfs/dbraw/zinc/08/05/76/247080576.db2.gz FGUHZTKYHAXWJH-UHFFFAOYSA-N 2 2 360.458 0.032 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423655081 247095284 /nfs/dbraw/zinc/09/52/84/247095284.db2.gz RPDNUEIOJPMUDW-CVEARBPZSA-N 2 2 374.485 0.535 20 0 FCADLP [NH3+]CC1(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000423758204 247139232 /nfs/dbraw/zinc/13/92/32/247139232.db2.gz MJUWYSWCRAVFNK-OAHLLOKOSA-N 2 2 374.489 0.527 20 0 FCADLP [NH3+]CC1(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000423758204 247139237 /nfs/dbraw/zinc/13/92/37/247139237.db2.gz MJUWYSWCRAVFNK-OAHLLOKOSA-N 2 2 374.489 0.527 20 0 FCADLP CC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[NH2+]C1 ZINC000423757834 247139932 /nfs/dbraw/zinc/13/99/32/247139932.db2.gz LZHKKXYBGDGDKP-AWEZNQCLSA-N 2 2 360.462 0.008 20 0 FCADLP CC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[NH2+]C1 ZINC000423757834 247139936 /nfs/dbraw/zinc/13/99/36/247139936.db2.gz LZHKKXYBGDGDKP-AWEZNQCLSA-N 2 2 360.462 0.008 20 0 FCADLP C[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000423996712 247159514 /nfs/dbraw/zinc/15/95/14/247159514.db2.gz KPXGONFSGGRGNZ-IAGOWNOFSA-N 2 2 373.501 0.954 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423717680 247123271 /nfs/dbraw/zinc/12/32/71/247123271.db2.gz AOOIKHGCOLNPIA-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423719300 247125236 /nfs/dbraw/zinc/12/52/36/247125236.db2.gz COSLPJVQOMDFIX-NUJGCVRESA-N 2 2 373.501 0.873 20 0 FCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424141219 247171324 /nfs/dbraw/zinc/17/13/24/247171324.db2.gz CGYVKIKMBNTKCA-JTQLQIEISA-N 2 2 357.340 0.891 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccn3cc[nH+]c3c1)CC[NH2+]CC2 ZINC000424536342 247254275 /nfs/dbraw/zinc/25/42/75/247254275.db2.gz AZYXGAJYUWCQTB-CQSZACIVSA-N 2 2 355.442 0.941 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccc[nH+]c1N(C)C)CC[NH2+]CC2 ZINC000424537219 247256115 /nfs/dbraw/zinc/25/61/15/247256115.db2.gz BKFZIPSOVYNYFN-AWEZNQCLSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)CC[NH2+]CC2 ZINC000424550725 247259429 /nfs/dbraw/zinc/25/94/29/247259429.db2.gz NMAMQIZUXVTYPQ-CQSZACIVSA-N 2 2 359.474 0.754 20 0 FCADLP CN(C(=O)[C@]1(C)C[C@@H]1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000424657379 247269323 /nfs/dbraw/zinc/26/93/23/247269323.db2.gz ZYMCNZUOXBIJEU-MAUKXSAKSA-N 2 2 354.470 0.431 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435566137 248000158 /nfs/dbraw/zinc/00/01/58/248000158.db2.gz VQUYCRVFESRTBL-HUUCEWRRSA-N 2 2 359.474 0.900 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000435580966 248001699 /nfs/dbraw/zinc/00/16/99/248001699.db2.gz SWMCZFLITBCWHH-BRWVUGGUSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000435580966 248001703 /nfs/dbraw/zinc/00/17/03/248001703.db2.gz SWMCZFLITBCWHH-BRWVUGGUSA-N 2 2 356.511 0.441 20 0 FCADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625471 248004289 /nfs/dbraw/zinc/00/42/89/248004289.db2.gz LQGHAMBCCWWKBE-ROUUACIJSA-N 3 2 354.539 0.923 20 0 FCADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625471 248004291 /nfs/dbraw/zinc/00/42/91/248004291.db2.gz LQGHAMBCCWWKBE-ROUUACIJSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625471 248004294 /nfs/dbraw/zinc/00/42/94/248004294.db2.gz LQGHAMBCCWWKBE-ROUUACIJSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000435625471 248004298 /nfs/dbraw/zinc/00/42/98/248004298.db2.gz LQGHAMBCCWWKBE-ROUUACIJSA-N 3 2 354.539 0.923 20 0 FCADLP CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435630592 248005951 /nfs/dbraw/zinc/00/59/51/248005951.db2.gz XOXKVSTUDIIXNC-AWEZNQCLSA-N 2 2 354.476 0.737 20 0 FCADLP CC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435630592 248005953 /nfs/dbraw/zinc/00/59/53/248005953.db2.gz XOXKVSTUDIIXNC-AWEZNQCLSA-N 2 2 354.476 0.737 20 0 FCADLP CCn1ccnc1C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693267 248009478 /nfs/dbraw/zinc/00/94/78/248009478.db2.gz IKNKEJIDAGXYIT-CQSZACIVSA-N 2 2 360.462 0.399 20 0 FCADLP CCn1ccnc1C[N@@H+](CCN1C(=O)CNC1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693267 248009480 /nfs/dbraw/zinc/00/94/80/248009480.db2.gz IKNKEJIDAGXYIT-CQSZACIVSA-N 2 2 360.462 0.399 20 0 FCADLP CNS(=O)(=O)CCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696647 248010875 /nfs/dbraw/zinc/01/08/75/248010875.db2.gz UUZFPPIGADWXBS-CQSZACIVSA-N 2 2 355.508 0.304 20 0 FCADLP CNS(=O)(=O)CCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696647 248010879 /nfs/dbraw/zinc/01/08/79/248010879.db2.gz UUZFPPIGADWXBS-CQSZACIVSA-N 2 2 355.508 0.304 20 0 FCADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000440956984 248225925 /nfs/dbraw/zinc/22/59/25/248225925.db2.gz LQTTXEPXTDCQKC-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000440956984 248225929 /nfs/dbraw/zinc/22/59/29/248225929.db2.gz LQTTXEPXTDCQKC-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCNC1=O ZINC000440954815 248226100 /nfs/dbraw/zinc/22/61/00/248226100.db2.gz INAQVMSTFHXWPX-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCNC1=O ZINC000440954815 248226105 /nfs/dbraw/zinc/22/61/05/248226105.db2.gz INAQVMSTFHXWPX-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441184250 248242235 /nfs/dbraw/zinc/24/22/35/248242235.db2.gz UXWQIYZGMRFEAH-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441184250 248242236 /nfs/dbraw/zinc/24/22/36/248242236.db2.gz UXWQIYZGMRFEAH-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000441375965 248251205 /nfs/dbraw/zinc/25/12/05/248251205.db2.gz ZSLWYIUMELTDNL-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000441375965 248251206 /nfs/dbraw/zinc/25/12/06/248251206.db2.gz ZSLWYIUMELTDNL-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000441375965 248251209 /nfs/dbraw/zinc/25/12/09/248251209.db2.gz ZSLWYIUMELTDNL-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000441375965 248251212 /nfs/dbraw/zinc/25/12/12/248251212.db2.gz ZSLWYIUMELTDNL-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763221 248295234 /nfs/dbraw/zinc/29/52/34/248295234.db2.gz IHDFQZCUEQKQQQ-SJORKVTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763221 248295237 /nfs/dbraw/zinc/29/52/37/248295237.db2.gz IHDFQZCUEQKQQQ-SJORKVTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000442765061 248296241 /nfs/dbraw/zinc/29/62/41/248296241.db2.gz UPWGDAJMSHRMFL-FRRDWIJNSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000442765061 248296243 /nfs/dbraw/zinc/29/62/43/248296243.db2.gz UPWGDAJMSHRMFL-FRRDWIJNSA-N 2 2 366.487 0.281 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000442778540 248297469 /nfs/dbraw/zinc/29/74/69/248297469.db2.gz GKPGWIBQERVXGU-AAEUAGOBSA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000442778540 248297472 /nfs/dbraw/zinc/29/74/72/248297472.db2.gz GKPGWIBQERVXGU-AAEUAGOBSA-N 2 2 354.476 0.558 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769613 248297635 /nfs/dbraw/zinc/29/76/35/248297635.db2.gz VUKMWNSBXSNBQV-CHWSQXEVSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000442769613 248297637 /nfs/dbraw/zinc/29/76/37/248297637.db2.gz VUKMWNSBXSNBQV-CHWSQXEVSA-N 2 2 354.476 0.545 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1)c1ccccc1F ZINC000444179921 248349702 /nfs/dbraw/zinc/34/97/02/248349702.db2.gz GLKCTENSPUSTDE-OXJNMPFZSA-N 2 2 374.460 0.699 20 0 FCADLP CCO[C@H]1C[C@](CO)([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000444796662 248368662 /nfs/dbraw/zinc/36/86/62/248368662.db2.gz WGUJYVPQAHSFLR-HNAYVOBHSA-N 2 2 371.522 0.369 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)CC2)cn1 ZINC000446367032 248387444 /nfs/dbraw/zinc/38/74/44/248387444.db2.gz QDHDILUROZMQRQ-TXPKVOOTSA-N 2 2 361.490 0.597 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](NC(N)=O)C3)CC2)c1 ZINC000270689831 211247703 /nfs/dbraw/zinc/24/77/03/211247703.db2.gz VZVWSUBYUADXRB-QGZVFWFLSA-N 2 2 359.474 0.382 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](NC(N)=O)C3)CC2)c1 ZINC000270689831 211247707 /nfs/dbraw/zinc/24/77/07/211247707.db2.gz VZVWSUBYUADXRB-QGZVFWFLSA-N 2 2 359.474 0.382 20 0 FCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033428 250087801 /nfs/dbraw/zinc/08/78/01/250087801.db2.gz VCFNHYZQYPNKHP-OAHLLOKOSA-N 2 2 362.540 0.048 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033428 250087804 /nfs/dbraw/zinc/08/78/04/250087804.db2.gz VCFNHYZQYPNKHP-OAHLLOKOSA-N 2 2 362.540 0.048 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033428 250087808 /nfs/dbraw/zinc/08/78/08/250087808.db2.gz VCFNHYZQYPNKHP-OAHLLOKOSA-N 2 2 362.540 0.048 20 0 FCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033428 250087813 /nfs/dbraw/zinc/08/78/13/250087813.db2.gz VCFNHYZQYPNKHP-OAHLLOKOSA-N 2 2 362.540 0.048 20 0 FCADLP O=C(CC[N@@H+]1CCCC2(C1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000269916594 211116742 /nfs/dbraw/zinc/11/67/42/211116742.db2.gz SSIIJKRCNCWXMC-UHFFFAOYSA-N 2 2 360.458 0.959 20 0 FCADLP O=C(CC[N@H+]1CCCC2(C1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000269916594 211116745 /nfs/dbraw/zinc/11/67/45/211116745.db2.gz SSIIJKRCNCWXMC-UHFFFAOYSA-N 2 2 360.458 0.959 20 0 FCADLP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000472679015 250173064 /nfs/dbraw/zinc/17/30/64/250173064.db2.gz RYPGXOGHUOKQEL-INIZCTEOSA-N 2 2 368.547 0.910 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455552 250150337 /nfs/dbraw/zinc/15/03/37/250150337.db2.gz LCANNHRCAFDSSZ-KRWDZBQOSA-N 2 2 350.507 0.779 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455552 250150342 /nfs/dbraw/zinc/15/03/42/250150342.db2.gz LCANNHRCAFDSSZ-KRWDZBQOSA-N 2 2 350.507 0.779 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455552 250150347 /nfs/dbraw/zinc/15/03/47/250150347.db2.gz LCANNHRCAFDSSZ-KRWDZBQOSA-N 2 2 350.507 0.779 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455552 250150351 /nfs/dbraw/zinc/15/03/51/250150351.db2.gz LCANNHRCAFDSSZ-KRWDZBQOSA-N 2 2 350.507 0.779 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020695 250308784 /nfs/dbraw/zinc/30/87/84/250308784.db2.gz WHVNCOXSWROGGW-CABCVRRESA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020695 250308786 /nfs/dbraw/zinc/30/87/86/250308786.db2.gz WHVNCOXSWROGGW-CABCVRRESA-N 2 2 361.490 0.941 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000481097953 250315277 /nfs/dbraw/zinc/31/52/77/250315277.db2.gz BAZICNFNVWFNEQ-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481097953 250315282 /nfs/dbraw/zinc/31/52/82/250315282.db2.gz BAZICNFNVWFNEQ-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000481200142 250320893 /nfs/dbraw/zinc/32/08/93/250320893.db2.gz OZCKBLXLPQMUJA-OWCLPIDISA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000481200142 250320895 /nfs/dbraw/zinc/32/08/95/250320895.db2.gz OZCKBLXLPQMUJA-OWCLPIDISA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260061 250328308 /nfs/dbraw/zinc/32/83/08/250328308.db2.gz QFTHMIAPDHTTTO-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000481260061 250328316 /nfs/dbraw/zinc/32/83/16/250328316.db2.gz QFTHMIAPDHTTTO-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000481260061 250328320 /nfs/dbraw/zinc/32/83/20/250328320.db2.gz QFTHMIAPDHTTTO-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000481260061 250328327 /nfs/dbraw/zinc/32/83/27/250328327.db2.gz QFTHMIAPDHTTTO-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783773 250358750 /nfs/dbraw/zinc/35/87/50/250358750.db2.gz RWICOSOBYAVOGY-SJLPKXTDSA-N 2 2 369.579 0.845 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000481284760 250328982 /nfs/dbraw/zinc/32/89/82/250328982.db2.gz OYJVINXXJLIORO-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000481284760 250328985 /nfs/dbraw/zinc/32/89/85/250328985.db2.gz OYJVINXXJLIORO-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000481284760 250328988 /nfs/dbraw/zinc/32/89/88/250328988.db2.gz OYJVINXXJLIORO-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000481284760 250328991 /nfs/dbraw/zinc/32/89/91/250328991.db2.gz OYJVINXXJLIORO-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccccc1 ZINC000481311739 250329696 /nfs/dbraw/zinc/32/96/96/250329696.db2.gz SRVIYKFEEPEEQU-KRWDZBQOSA-N 2 2 355.442 0.959 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1ccccc1 ZINC000481311739 250329701 /nfs/dbraw/zinc/32/97/01/250329701.db2.gz SRVIYKFEEPEEQU-KRWDZBQOSA-N 2 2 355.442 0.959 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000481316367 250329848 /nfs/dbraw/zinc/32/98/48/250329848.db2.gz XHGROIHQWLJJFH-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000481316367 250329854 /nfs/dbraw/zinc/32/98/54/250329854.db2.gz XHGROIHQWLJJFH-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000481849951 250368251 /nfs/dbraw/zinc/36/82/51/250368251.db2.gz ZIDSAICFVNFMKL-UHFFFAOYSA-N 2 2 359.474 0.639 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000482034104 250374386 /nfs/dbraw/zinc/37/43/86/250374386.db2.gz QDCYRIHZYDZEAV-GFCCVEGCSA-N 2 2 364.412 0.539 20 0 FCADLP CCCC(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482016195 250374615 /nfs/dbraw/zinc/37/46/15/250374615.db2.gz KURAHMGIIMEVDI-HNNXBMFYSA-N 2 2 356.536 0.830 20 0 FCADLP C[C@H](C(=O)N(C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cccn1 ZINC000482031711 250374881 /nfs/dbraw/zinc/37/48/81/250374881.db2.gz NFLGHHKUVOWEFZ-OAHLLOKOSA-N 2 2 364.494 0.045 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000482157619 250378577 /nfs/dbraw/zinc/37/85/77/250378577.db2.gz MIGQHESXQGSOTB-IRXDYDNUSA-N 2 2 368.522 0.452 20 0 FCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000482157619 250378581 /nfs/dbraw/zinc/37/85/81/250378581.db2.gz MIGQHESXQGSOTB-IRXDYDNUSA-N 2 2 368.522 0.452 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000269734367 211058830 /nfs/dbraw/zinc/05/88/30/211058830.db2.gz YZPAGOJXVNTAJA-UHFFFAOYSA-N 2 2 353.448 0.717 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074134179 208052296 /nfs/dbraw/zinc/05/22/96/208052296.db2.gz PRIGUPYJULRLOC-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000081284226 208100467 /nfs/dbraw/zinc/10/04/67/208100467.db2.gz FTKFSHLIJSKXBZ-KRWDZBQOSA-N 2 2 360.458 0.272 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000081284226 208100473 /nfs/dbraw/zinc/10/04/73/208100473.db2.gz FTKFSHLIJSKXBZ-KRWDZBQOSA-N 2 2 360.458 0.272 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1CN1CCOCC1)[NH+]1CCOCC1 ZINC000075889849 208061750 /nfs/dbraw/zinc/06/17/50/208061750.db2.gz KVFJKBJPPJCEPQ-KRWDZBQOSA-N 2 2 368.522 0.010 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1CN1CCOCC1)[NH+]1CCOCC1 ZINC000075889849 208061755 /nfs/dbraw/zinc/06/17/55/208061755.db2.gz KVFJKBJPPJCEPQ-KRWDZBQOSA-N 2 2 368.522 0.010 20 0 FCADLP CC(C)(CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000077333988 208072593 /nfs/dbraw/zinc/07/25/93/208072593.db2.gz UIZGQUMYMUGCEQ-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000082985944 208105276 /nfs/dbraw/zinc/10/52/76/208105276.db2.gz HCIVYXLJCLZQJX-RBUKOAKNSA-N 2 2 361.486 0.803 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000082985944 208105282 /nfs/dbraw/zinc/10/52/82/208105282.db2.gz HCIVYXLJCLZQJX-RBUKOAKNSA-N 2 2 361.486 0.803 20 0 FCADLP NC(=O)C1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000088545021 208118140 /nfs/dbraw/zinc/11/81/40/208118140.db2.gz FZYSPAROPAEYTL-UHFFFAOYSA-N 2 2 359.474 0.898 20 0 FCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093421217 208156797 /nfs/dbraw/zinc/15/67/97/208156797.db2.gz CKTCRUALWNMTOY-ZIAGYGMSSA-N 2 2 355.508 0.482 20 0 FCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093421217 208156801 /nfs/dbraw/zinc/15/68/01/208156801.db2.gz CKTCRUALWNMTOY-ZIAGYGMSSA-N 2 2 355.508 0.482 20 0 FCADLP Cc1ccoc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041399 208206805 /nfs/dbraw/zinc/20/68/05/208206805.db2.gz PAVNTXLEAIDLHK-UHFFFAOYSA-N 2 2 362.474 0.898 20 0 FCADLP CN(C(=O)c1cccn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041363 208206993 /nfs/dbraw/zinc/20/69/93/208206993.db2.gz DNNDKXGHGZZAJN-UHFFFAOYSA-N 2 2 361.490 0.336 20 0 FCADLP COCC[N@@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000104958852 208190352 /nfs/dbraw/zinc/19/03/52/208190352.db2.gz AHVBSLWOWAUABT-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COCC[NH+](CCO)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000104958852 208190360 /nfs/dbraw/zinc/19/03/60/208190360.db2.gz AHVBSLWOWAUABT-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP COCC[NH+](CCO)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000104958852 208190366 /nfs/dbraw/zinc/19/03/66/208190366.db2.gz AHVBSLWOWAUABT-UHFFFAOYSA-N 2 2 363.502 0.970 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105301174 208196324 /nfs/dbraw/zinc/19/63/24/208196324.db2.gz NWPFXXFXYQRRCI-IRXDYDNUSA-N 2 2 368.522 0.849 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000106530937 208225795 /nfs/dbraw/zinc/22/57/95/208225795.db2.gz ZHLHIDFIBSDELC-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220241 208275588 /nfs/dbraw/zinc/27/55/88/208275588.db2.gz IIIRTVJZKBQQBM-GDBMZVCRSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220241 208275594 /nfs/dbraw/zinc/27/55/94/208275594.db2.gz IIIRTVJZKBQQBM-GDBMZVCRSA-N 2 2 364.515 0.978 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000112921364 208305050 /nfs/dbraw/zinc/30/50/50/208305050.db2.gz CLCUHOGVXGIOTA-UHFFFAOYSA-N 2 2 371.489 0.825 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000112921364 208305055 /nfs/dbraw/zinc/30/50/55/208305055.db2.gz CLCUHOGVXGIOTA-UHFFFAOYSA-N 2 2 371.489 0.825 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000119886457 208370337 /nfs/dbraw/zinc/37/03/37/208370337.db2.gz KXAGWXWLSQNXEE-HZPDHXFCSA-N 2 2 361.490 0.611 20 0 FCADLP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000120947857 208395296 /nfs/dbraw/zinc/39/52/96/208395296.db2.gz XFMBELBAYPQTNW-CALCHBBNSA-N 3 2 352.523 0.582 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000180959188 209105045 /nfs/dbraw/zinc/10/50/45/209105045.db2.gz VLBYQARSWBBVSG-UHFFFAOYSA-N 2 2 373.501 0.930 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000180959188 209105050 /nfs/dbraw/zinc/10/50/50/209105050.db2.gz VLBYQARSWBBVSG-UHFFFAOYSA-N 2 2 373.501 0.930 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@@H+]1C ZINC000180886166 209102550 /nfs/dbraw/zinc/10/25/50/209102550.db2.gz JTEYLCTUGDIFCW-GDBMZVCRSA-N 2 2 355.504 0.872 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000180886166 209102554 /nfs/dbraw/zinc/10/25/54/209102554.db2.gz JTEYLCTUGDIFCW-GDBMZVCRSA-N 2 2 355.504 0.872 20 0 FCADLP COC[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000176382127 209003160 /nfs/dbraw/zinc/00/31/60/209003160.db2.gz VUDOMUWEAOQTST-QGZVFWFLSA-N 2 2 354.495 0.602 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115903 209041674 /nfs/dbraw/zinc/04/16/74/209041674.db2.gz TXUOWMSCFJLEDP-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115903 209041676 /nfs/dbraw/zinc/04/16/76/209041676.db2.gz TXUOWMSCFJLEDP-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115903 209041678 /nfs/dbraw/zinc/04/16/78/209041678.db2.gz TXUOWMSCFJLEDP-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@@H]21 ZINC000178115903 209041681 /nfs/dbraw/zinc/04/16/81/209041681.db2.gz TXUOWMSCFJLEDP-SJORKVTESA-N 2 2 358.490 0.541 20 0 FCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[NH2+]CCO1 ZINC000178892277 209063954 /nfs/dbraw/zinc/06/39/54/209063954.db2.gz GHPGNPLSFBNSSS-MRXNPFEDSA-N 2 2 352.866 0.567 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)CC1 ZINC000178974197 209070312 /nfs/dbraw/zinc/07/03/12/209070312.db2.gz RBRZXQDWXVHUMU-UHFFFAOYSA-N 2 2 357.458 0.741 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC[N@H+](C)C1 ZINC000413152640 533481711 /nfs/dbraw/zinc/48/17/11/533481711.db2.gz DDKOWMHKXZYTJN-AWEZNQCLSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC[N@@H+](C)C1 ZINC000413152640 533481715 /nfs/dbraw/zinc/48/17/15/533481715.db2.gz DDKOWMHKXZYTJN-AWEZNQCLSA-N 2 2 359.430 0.889 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000179279531 209076000 /nfs/dbraw/zinc/07/60/00/209076000.db2.gz PALJMDFVNZFVFV-UHFFFAOYSA-N 3 2 355.527 0.111 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000179318263 209075772 /nfs/dbraw/zinc/07/57/72/209075772.db2.gz NTEMAJGWFZRGDK-UHFFFAOYSA-N 2 2 361.494 0.334 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(C)(CO)CO ZINC000179564844 209083078 /nfs/dbraw/zinc/08/30/78/209083078.db2.gz WHACDPDKEDGHQS-UHFFFAOYSA-N 2 2 355.504 0.315 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(C)(CO)CO ZINC000179564844 209083075 /nfs/dbraw/zinc/08/30/75/209083075.db2.gz WHACDPDKEDGHQS-UHFFFAOYSA-N 2 2 355.504 0.315 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000173785378 229211306 /nfs/dbraw/zinc/21/13/06/229211306.db2.gz GWJZKMCJJJCTMM-KBPBESRZSA-N 2 2 357.462 0.885 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000238125255 229276770 /nfs/dbraw/zinc/27/67/70/229276770.db2.gz QHDAELJXEKHWOV-NVXWUHKLSA-N 2 2 369.469 0.984 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000410545785 230130964 /nfs/dbraw/zinc/13/09/64/230130964.db2.gz OFODOLXJQGWDHW-INIZCTEOSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000410545785 230130966 /nfs/dbraw/zinc/13/09/66/230130966.db2.gz OFODOLXJQGWDHW-INIZCTEOSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410550451 230132686 /nfs/dbraw/zinc/13/26/86/230132686.db2.gz YQLYLBXBBYIAHI-SJLPKXTDSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000410550451 230132691 /nfs/dbraw/zinc/13/26/91/230132691.db2.gz YQLYLBXBBYIAHI-SJLPKXTDSA-N 2 2 358.486 0.882 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410731861 230222739 /nfs/dbraw/zinc/22/27/39/230222739.db2.gz IHKRAVNXPDHKDC-OXQOHEQNSA-N 2 2 373.501 0.755 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410731861 230222742 /nfs/dbraw/zinc/22/27/42/230222742.db2.gz IHKRAVNXPDHKDC-OXQOHEQNSA-N 2 2 373.501 0.755 20 0 FCADLP O=C(C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410795702 230252068 /nfs/dbraw/zinc/25/20/68/230252068.db2.gz XSKZUZIVEJXSQK-NVXWUHKLSA-N 2 2 356.426 0.534 20 0 FCADLP [NH3+]CCc1nc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cs1 ZINC000479227643 484204179 /nfs/dbraw/zinc/20/41/79/484204179.db2.gz PLVKSLCJDJPFNL-UHFFFAOYSA-N 2 2 350.448 0.425 20 0 FCADLP C[NH+](C)C(C)(C)CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301055987 488875911 /nfs/dbraw/zinc/87/59/11/488875911.db2.gz IOHHHCRBNRAXAR-UHFFFAOYSA-N 2 2 355.508 0.770 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)c2)CC1 ZINC000363707897 488876908 /nfs/dbraw/zinc/87/69/08/488876908.db2.gz BFHBEGUDOCNKKV-FQEVSTJZSA-N 2 2 372.513 0.981 20 0 FCADLP CN1CCN(c2cc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)nc[nH+]2)CC1=O ZINC000363711471 488877691 /nfs/dbraw/zinc/87/76/91/488877691.db2.gz YVDZNGKTKPVYBV-HZPDHXFCSA-N 2 2 374.489 0.810 20 0 FCADLP Cc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)n1C ZINC000278532599 488879899 /nfs/dbraw/zinc/87/98/99/488879899.db2.gz BGFXOPNUJLXGFM-UHFFFAOYSA-N 2 2 363.506 0.861 20 0 FCADLP Cc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)n1C ZINC000278532599 488879901 /nfs/dbraw/zinc/87/99/01/488879901.db2.gz BGFXOPNUJLXGFM-UHFFFAOYSA-N 2 2 363.506 0.861 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000562796824 491189508 /nfs/dbraw/zinc/18/95/08/491189508.db2.gz ILPOBMUPMBDMMP-OAHLLOKOSA-N 2 2 354.495 0.494 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCO1 ZINC000562796824 491189510 /nfs/dbraw/zinc/18/95/10/491189510.db2.gz ILPOBMUPMBDMMP-OAHLLOKOSA-N 2 2 354.495 0.494 20 0 FCADLP C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)C1 ZINC000302222957 488888160 /nfs/dbraw/zinc/88/81/60/488888160.db2.gz NFSJNSKIZNRWNN-LSDHHAIUSA-N 2 2 359.474 0.997 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000278956731 488907474 /nfs/dbraw/zinc/90/74/74/488907474.db2.gz HQHVHCDSZMUOPD-CQSZACIVSA-N 2 2 362.478 0.113 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000287980953 488928922 /nfs/dbraw/zinc/92/89/22/488928922.db2.gz RIVJMDGQTWNRTR-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000287980953 488928925 /nfs/dbraw/zinc/92/89/25/488928925.db2.gz RIVJMDGQTWNRTR-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCO1 ZINC000364203925 488934976 /nfs/dbraw/zinc/93/49/76/488934976.db2.gz ZMGYUFKBQCYHQD-INIZCTEOSA-N 2 2 357.414 0.712 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364218093 488937449 /nfs/dbraw/zinc/93/74/49/488937449.db2.gz WETCJTZKOADVEO-IRXDYDNUSA-N 2 2 350.507 0.921 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000288117477 488945359 /nfs/dbraw/zinc/94/53/59/488945359.db2.gz XTIIEMJVSCYWNB-HZPDHXFCSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000288117477 488945361 /nfs/dbraw/zinc/94/53/61/488945361.db2.gz XTIIEMJVSCYWNB-HZPDHXFCSA-N 2 2 373.501 0.886 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCN(C4CCOCC4)C3=O)CC2)c1 ZINC000364320384 488947016 /nfs/dbraw/zinc/94/70/16/488947016.db2.gz QGEROBCPSCCZEZ-KRWDZBQOSA-N 2 2 360.458 0.992 20 0 FCADLP C[N@@H+]1CCCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000022944074 487627035 /nfs/dbraw/zinc/62/70/35/487627035.db2.gz HLWDCHRVXNQVRR-UHFFFAOYSA-N 2 2 360.502 0.773 20 0 FCADLP C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025508631 487667483 /nfs/dbraw/zinc/66/74/83/487667483.db2.gz KITHECKOJULVQX-GJZGRUSLSA-N 2 2 371.489 0.990 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1)[NH+]1CCOCC1 ZINC000030978818 487751341 /nfs/dbraw/zinc/75/13/41/487751341.db2.gz PJVZABNMDGOEFN-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)C(=O)N1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000044850037 487924096 /nfs/dbraw/zinc/92/40/96/487924096.db2.gz NQIQXVJBQHKZHV-UHFFFAOYSA-N 2 2 373.501 0.921 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)cc1 ZINC000051187043 488127848 /nfs/dbraw/zinc/12/78/48/488127848.db2.gz MHLHBYPEEZVQRG-UHFFFAOYSA-N 2 2 374.485 0.537 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NCCC(=O)N3CC[NH+](C)CC3)cn2c1 ZINC000057224374 488268570 /nfs/dbraw/zinc/26/85/70/488268570.db2.gz SFGSFETZLACQGE-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000066563463 488331047 /nfs/dbraw/zinc/33/10/47/488331047.db2.gz UDPWKASWEANYAB-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000066563463 488331050 /nfs/dbraw/zinc/33/10/50/488331050.db2.gz UDPWKASWEANYAB-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000562823577 491192976 /nfs/dbraw/zinc/19/29/76/491192976.db2.gz LTIQAZWFIIQMJM-YESZJQIVSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069408759 488372230 /nfs/dbraw/zinc/37/22/30/488372230.db2.gz MJNWXGXBODJUHU-UHFFFAOYSA-N 2 2 350.467 0.433 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000069434107 488372523 /nfs/dbraw/zinc/37/25/23/488372523.db2.gz JKADMJRKAODXMU-UHFFFAOYSA-N 2 2 362.478 0.571 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCC2(CC1)OCCO2 ZINC000069802472 488373893 /nfs/dbraw/zinc/37/38/93/488373893.db2.gz UPJLQEIYXNNIQZ-QGZVFWFLSA-N 2 2 367.490 0.396 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCC2(CC1)OCCO2 ZINC000069802472 488373894 /nfs/dbraw/zinc/37/38/94/488373894.db2.gz UPJLQEIYXNNIQZ-QGZVFWFLSA-N 2 2 367.490 0.396 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C(N)=O)CC2)c1 ZINC000071088693 488376742 /nfs/dbraw/zinc/37/67/42/488376742.db2.gz HCJYKQVWYJSASD-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC[C@H]3C(N)=O)CC2)c1 ZINC000071088693 488376743 /nfs/dbraw/zinc/37/67/43/488376743.db2.gz HCJYKQVWYJSASD-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP [NH3+]C1(C[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCC1 ZINC000569811453 491194153 /nfs/dbraw/zinc/19/41/53/491194153.db2.gz YFBVGWOZAHUWBD-UHFFFAOYSA-N 2 2 366.487 0.881 20 0 FCADLP O=C(C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000072832614 488383017 /nfs/dbraw/zinc/38/30/17/488383017.db2.gz RYCNZUNRBOXQRE-IBGZPJMESA-N 2 2 360.458 0.526 20 0 FCADLP O=C(C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000072832614 488383018 /nfs/dbraw/zinc/38/30/18/488383018.db2.gz RYCNZUNRBOXQRE-IBGZPJMESA-N 2 2 360.458 0.526 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073381663 488384491 /nfs/dbraw/zinc/38/44/91/488384491.db2.gz CSGVSOHHNSAUAN-UHFFFAOYSA-N 2 2 352.479 0.041 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073381663 488384492 /nfs/dbraw/zinc/38/44/92/488384492.db2.gz CSGVSOHHNSAUAN-UHFFFAOYSA-N 2 2 352.479 0.041 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccco1 ZINC000073443341 488384696 /nfs/dbraw/zinc/38/46/96/488384696.db2.gz PCXBOIOYNIEKFT-WMLDXEAASA-N 2 2 354.451 0.265 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073589509 488385081 /nfs/dbraw/zinc/38/50/81/488385081.db2.gz FJDFKVRDFXDZKI-QZTJIDSGSA-N 2 2 368.522 0.849 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000073639004 488385395 /nfs/dbraw/zinc/38/53/95/488385395.db2.gz OBCBCIICNGOQPY-KRWDZBQOSA-N 2 2 359.474 0.326 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000073639004 488385396 /nfs/dbraw/zinc/38/53/96/488385396.db2.gz OBCBCIICNGOQPY-KRWDZBQOSA-N 2 2 359.474 0.326 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000073660390 488385670 /nfs/dbraw/zinc/38/56/70/488385670.db2.gz VKRIJURAWIVKSC-KRWDZBQOSA-N 2 2 367.538 0.914 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000073660390 488385671 /nfs/dbraw/zinc/38/56/71/488385671.db2.gz VKRIJURAWIVKSC-KRWDZBQOSA-N 2 2 367.538 0.914 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000074085963 488387314 /nfs/dbraw/zinc/38/73/14/488387314.db2.gz VGHOHQXJRWJZKZ-HNNXBMFYSA-N 2 2 365.522 0.713 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1=O ZINC000074228570 488389126 /nfs/dbraw/zinc/38/91/26/488389126.db2.gz BMMYXBYPAYPSRZ-KRWDZBQOSA-N 2 2 374.485 0.867 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371568 488391735 /nfs/dbraw/zinc/39/17/35/488391735.db2.gz IEOMREFNMYFIIQ-QZTJIDSGSA-N 2 2 369.554 0.528 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000074371568 488391738 /nfs/dbraw/zinc/39/17/38/488391738.db2.gz IEOMREFNMYFIIQ-QZTJIDSGSA-N 2 2 369.554 0.528 20 0 FCADLP CN(C(=O)[C@H]1CCCS1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000075198667 488396113 /nfs/dbraw/zinc/39/61/13/488396113.db2.gz NSILVZQVNNRMSE-MRXNPFEDSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185733035 488402655 /nfs/dbraw/zinc/40/26/55/488402655.db2.gz KKVBYEZBQQCADD-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185733035 488402657 /nfs/dbraw/zinc/40/26/57/488402657.db2.gz KKVBYEZBQQCADD-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185733035 488402658 /nfs/dbraw/zinc/40/26/58/488402658.db2.gz KKVBYEZBQQCADD-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185733035 488402661 /nfs/dbraw/zinc/40/26/61/488402661.db2.gz KKVBYEZBQQCADD-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)ccc2n1C ZINC000076315124 488403852 /nfs/dbraw/zinc/40/38/52/488403852.db2.gz GPQCJGUYVHSXDI-CYBMUJFWSA-N 2 2 373.457 0.905 20 0 FCADLP CCO[C@H]1C[C@](O)(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000191296356 488419588 /nfs/dbraw/zinc/41/95/88/488419588.db2.gz RXPSUOSIDITRCV-LPHOPBHVSA-N 2 2 370.538 0.878 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000077980659 488419653 /nfs/dbraw/zinc/41/96/53/488419653.db2.gz MXODPBHDLOPXSJ-SFHVURJKSA-N 2 2 373.501 0.716 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000077980659 488419654 /nfs/dbraw/zinc/41/96/54/488419654.db2.gz MXODPBHDLOPXSJ-SFHVURJKSA-N 2 2 373.501 0.716 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000077980659 488419656 /nfs/dbraw/zinc/41/96/56/488419656.db2.gz MXODPBHDLOPXSJ-SFHVURJKSA-N 2 2 373.501 0.716 20 0 FCADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000077980659 488419658 /nfs/dbraw/zinc/41/96/58/488419658.db2.gz MXODPBHDLOPXSJ-SFHVURJKSA-N 2 2 373.501 0.716 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000193764845 488429531 /nfs/dbraw/zinc/42/95/31/488429531.db2.gz HVLTYDYSKMLKJV-UHFFFAOYSA-N 2 2 355.527 0.378 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000193764845 488429534 /nfs/dbraw/zinc/42/95/34/488429534.db2.gz HVLTYDYSKMLKJV-UHFFFAOYSA-N 2 2 355.527 0.378 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000194230863 488431634 /nfs/dbraw/zinc/43/16/34/488431634.db2.gz HUPYQHKVICEAMW-UHFFFAOYSA-N 2 2 360.458 0.621 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000080007860 488433105 /nfs/dbraw/zinc/43/31/05/488433105.db2.gz OICUETRZFRJWQS-INIZCTEOSA-N 2 2 373.505 0.382 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000080007860 488433106 /nfs/dbraw/zinc/43/31/06/488433106.db2.gz OICUETRZFRJWQS-INIZCTEOSA-N 2 2 373.505 0.382 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000080102142 488434032 /nfs/dbraw/zinc/43/40/32/488434032.db2.gz GBFMNABILHYXOQ-UHFFFAOYSA-N 2 2 358.446 0.652 20 0 FCADLP C[N@@H+]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000268697160 488443129 /nfs/dbraw/zinc/44/31/29/488443129.db2.gz CPMXXMOEFHRZMM-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[N@H+]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000268697160 488443131 /nfs/dbraw/zinc/44/31/31/488443131.db2.gz CPMXXMOEFHRZMM-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000569851227 491199125 /nfs/dbraw/zinc/19/91/25/491199125.db2.gz OQBQOVIWBQZTCL-WMLDXEAASA-N 2 2 350.488 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000084964003 488451169 /nfs/dbraw/zinc/45/11/69/488451169.db2.gz CFIDLORNTWRPDP-ZDUSSCGKSA-N 2 2 355.401 0.195 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000084964003 488451171 /nfs/dbraw/zinc/45/11/71/488451171.db2.gz CFIDLORNTWRPDP-ZDUSSCGKSA-N 2 2 355.401 0.195 20 0 FCADLP CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000228321613 488451798 /nfs/dbraw/zinc/45/17/98/488451798.db2.gz WRLVATVYLRALSG-SOLBZPMBSA-N 2 2 368.522 0.353 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000236736342 488453174 /nfs/dbraw/zinc/45/31/74/488453174.db2.gz GJJZYBINDHWGMZ-HKUYNNGSSA-N 2 2 369.469 0.928 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237159180 488454484 /nfs/dbraw/zinc/45/44/84/488454484.db2.gz UDGMSNURNPTHPA-MRXNPFEDSA-N 2 2 360.458 0.525 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC3([NH3+])CCC3)c2)CC1 ZINC000237227312 488455054 /nfs/dbraw/zinc/45/50/54/488455054.db2.gz KPLLQTBAAQAPPZ-UHFFFAOYSA-N 2 2 366.487 0.833 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000237227836 488455161 /nfs/dbraw/zinc/45/51/61/488455161.db2.gz GHAJCHCBCHBTKQ-CVEARBPZSA-N 2 2 366.487 0.689 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C[C@@H](C)O1 ZINC000237417384 488455435 /nfs/dbraw/zinc/45/54/35/488455435.db2.gz FSNHOKPYWKIKRF-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)N1CCCC1 ZINC000238134853 488458722 /nfs/dbraw/zinc/45/87/22/488458722.db2.gz WYSQIRONMGPRGR-LJQANCHMSA-N 2 2 370.497 0.858 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)N1CCCC1 ZINC000238134853 488458723 /nfs/dbraw/zinc/45/87/23/488458723.db2.gz WYSQIRONMGPRGR-LJQANCHMSA-N 2 2 370.497 0.858 20 0 FCADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246305268 488471930 /nfs/dbraw/zinc/47/19/30/488471930.db2.gz OHKQBBNOMRONGP-GVDBMIGSSA-N 2 2 366.506 0.333 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000246474957 488472808 /nfs/dbraw/zinc/47/28/08/488472808.db2.gz VOESHVBXEMXXCU-HUUCEWRRSA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000246474957 488472810 /nfs/dbraw/zinc/47/28/10/488472810.db2.gz VOESHVBXEMXXCU-HUUCEWRRSA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246445215 488473124 /nfs/dbraw/zinc/47/31/24/488473124.db2.gz UJCVBHTUAMTGRM-MSOLQXFVSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246445215 488473125 /nfs/dbraw/zinc/47/31/25/488473125.db2.gz UJCVBHTUAMTGRM-MSOLQXFVSA-N 3 2 369.554 0.765 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2C(=O)N(C)C)COC1 ZINC000246595667 488474539 /nfs/dbraw/zinc/47/45/39/488474539.db2.gz FYYLIGRFOYMSOD-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CC1(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)COC1 ZINC000246595667 488474541 /nfs/dbraw/zinc/47/45/41/488474541.db2.gz FYYLIGRFOYMSOD-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000269164156 488475375 /nfs/dbraw/zinc/47/53/75/488475375.db2.gz BUYRCDYQBXGINJ-QGZVFWFLSA-N 2 2 372.469 0.304 20 0 FCADLP CCN(C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000093178474 488477877 /nfs/dbraw/zinc/47/78/77/488477877.db2.gz IECWXVGCDGVQBL-AWEZNQCLSA-N 2 2 350.429 0.967 20 0 FCADLP CCN(C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000093178474 488477878 /nfs/dbraw/zinc/47/78/78/488477878.db2.gz IECWXVGCDGVQBL-AWEZNQCLSA-N 2 2 350.429 0.967 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000103168836 488500063 /nfs/dbraw/zinc/50/00/63/488500063.db2.gz WLXGUHBGWVZTSH-GOSISDBHSA-N 2 2 361.486 0.975 20 0 FCADLP COc1ccnc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000569922586 491203468 /nfs/dbraw/zinc/20/34/68/491203468.db2.gz KLBZDEALFPDWQK-XYPWUTKMSA-N 2 2 374.489 0.938 20 0 FCADLP COc1ccnc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000569922586 491203470 /nfs/dbraw/zinc/20/34/70/491203470.db2.gz KLBZDEALFPDWQK-XYPWUTKMSA-N 2 2 374.489 0.938 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000249110661 488506131 /nfs/dbraw/zinc/50/61/31/488506131.db2.gz MMCFDDPBRRJGLV-IRXDYDNUSA-N 2 2 369.554 0.357 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000249110661 488506132 /nfs/dbraw/zinc/50/61/32/488506132.db2.gz MMCFDDPBRRJGLV-IRXDYDNUSA-N 2 2 369.554 0.357 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000249115713 488506423 /nfs/dbraw/zinc/50/64/23/488506423.db2.gz YPHDAZRFMQVZNT-GUDVDZBRSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000249115713 488506425 /nfs/dbraw/zinc/50/64/25/488506425.db2.gz YPHDAZRFMQVZNT-GUDVDZBRSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000249115713 488506427 /nfs/dbraw/zinc/50/64/27/488506427.db2.gz YPHDAZRFMQVZNT-GUDVDZBRSA-N 2 2 354.539 0.434 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000105103675 488507305 /nfs/dbraw/zinc/50/73/05/488507305.db2.gz QXJZZQXFSWASIW-ZACQAIPSSA-N 2 2 356.511 0.752 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000249204439 488507780 /nfs/dbraw/zinc/50/77/80/488507780.db2.gz AYMOGGHGGZDHCB-SJORKVTESA-N 2 2 364.490 0.311 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000249204439 488507782 /nfs/dbraw/zinc/50/77/82/488507782.db2.gz AYMOGGHGGZDHCB-SJORKVTESA-N 2 2 364.490 0.311 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000554459603 491203807 /nfs/dbraw/zinc/20/38/07/491203807.db2.gz SEWSRTASPLJUMH-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000554459603 491203811 /nfs/dbraw/zinc/20/38/11/491203811.db2.gz SEWSRTASPLJUMH-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249599479 488512988 /nfs/dbraw/zinc/51/29/88/488512988.db2.gz XTXPXKMVTNKRAY-BEFAXECRSA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249599479 488512990 /nfs/dbraw/zinc/51/29/90/488512990.db2.gz XTXPXKMVTNKRAY-BEFAXECRSA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249599479 488512993 /nfs/dbraw/zinc/51/29/93/488512993.db2.gz XTXPXKMVTNKRAY-BEFAXECRSA-N 2 2 362.474 0.789 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249599479 488512994 /nfs/dbraw/zinc/51/29/94/488512994.db2.gz XTXPXKMVTNKRAY-BEFAXECRSA-N 2 2 362.474 0.789 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000106525403 488514715 /nfs/dbraw/zinc/51/47/15/488514715.db2.gz ABKKHSJFZYMSAF-ZWKOTPCHSA-N 2 2 368.570 0.194 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106525159 488515213 /nfs/dbraw/zinc/51/52/13/488515213.db2.gz GLDUZNSIRGYIGG-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106525159 488515215 /nfs/dbraw/zinc/51/52/15/488515215.db2.gz GLDUZNSIRGYIGG-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000251782462 488517441 /nfs/dbraw/zinc/51/74/41/488517441.db2.gz NJURNNBWBUVBQV-IRXDYDNUSA-N 2 2 361.490 0.117 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000251782462 488517442 /nfs/dbraw/zinc/51/74/42/488517442.db2.gz NJURNNBWBUVBQV-IRXDYDNUSA-N 2 2 361.490 0.117 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000108562655 488519464 /nfs/dbraw/zinc/51/94/64/488519464.db2.gz HYIRRZUFVUURGF-NVXWUHKLSA-N 2 2 356.536 0.835 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000108562655 488519466 /nfs/dbraw/zinc/51/94/66/488519466.db2.gz HYIRRZUFVUURGF-NVXWUHKLSA-N 2 2 356.536 0.835 20 0 FCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000271444213 488520423 /nfs/dbraw/zinc/52/04/23/488520423.db2.gz DTLZAVNDKZFCDI-HOCLYGCPSA-N 2 2 361.442 0.999 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000111660818 488530755 /nfs/dbraw/zinc/53/07/55/488530755.db2.gz MEJFRKHDOOEARA-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000261726713 488533061 /nfs/dbraw/zinc/53/30/61/488533061.db2.gz JPXBQMRGMDXDJC-KRWDZBQOSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000261726713 488533064 /nfs/dbraw/zinc/53/30/64/488533064.db2.gz JPXBQMRGMDXDJC-KRWDZBQOSA-N 2 2 368.503 0.855 20 0 FCADLP CC[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000271647189 488535107 /nfs/dbraw/zinc/53/51/07/488535107.db2.gz AJMASSQWFZAUSJ-UHFFFAOYSA-N 2 2 355.504 0.873 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC000261869667 488539682 /nfs/dbraw/zinc/53/96/82/488539682.db2.gz NXOYRPDCDLONPV-RRFJBIMHSA-N 2 2 363.462 0.890 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC000261869667 488539685 /nfs/dbraw/zinc/53/96/85/488539685.db2.gz NXOYRPDCDLONPV-RRFJBIMHSA-N 2 2 363.462 0.890 20 0 FCADLP Cn1cnc2cc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC000271704273 488540117 /nfs/dbraw/zinc/54/01/17/488540117.db2.gz UAHGUTPJVFLMGV-INIZCTEOSA-N 2 2 357.458 0.596 20 0 FCADLP C[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000261915251 488541483 /nfs/dbraw/zinc/54/14/83/488541483.db2.gz ZCLMWDCTCFFODK-MRXNPFEDSA-N 2 2 358.486 0.559 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119252905 488556553 /nfs/dbraw/zinc/55/65/53/488556553.db2.gz KTYQTDMXXMEUQE-DLBZAZTESA-N 2 2 356.511 0.443 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119252905 488556556 /nfs/dbraw/zinc/55/65/56/488556556.db2.gz KTYQTDMXXMEUQE-DLBZAZTESA-N 2 2 356.511 0.443 20 0 FCADLP C[C@H]1OCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000120360797 488561353 /nfs/dbraw/zinc/56/13/53/488561353.db2.gz SFECUAUMZQDISX-CABCVRRESA-N 2 2 354.476 0.300 20 0 FCADLP C[C@@H](CN1CCOCC1)[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000121043028 488564483 /nfs/dbraw/zinc/56/44/83/488564483.db2.gz AIDJGGVDBQXYMN-IBGZPJMESA-N 2 2 374.529 0.983 20 0 FCADLP C[C@@H](CN1CCOCC1)[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000121043028 488564484 /nfs/dbraw/zinc/56/44/84/488564484.db2.gz AIDJGGVDBQXYMN-IBGZPJMESA-N 2 2 374.529 0.983 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H](C)O1 ZINC000122167155 488575884 /nfs/dbraw/zinc/57/58/84/488575884.db2.gz MTNXJYZDRVQMMW-IAGOWNOFSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCN(C)CC1 ZINC000122469779 488578619 /nfs/dbraw/zinc/57/86/19/488578619.db2.gz BWWBGWKRRVWOPQ-IAGOWNOFSA-N 2 2 360.506 0.843 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1(C)C ZINC000262754533 488590620 /nfs/dbraw/zinc/59/06/20/488590620.db2.gz ARPIGYDPIWVJCW-FHLIZLRMSA-N 2 2 371.547 0.843 20 0 FCADLP Cc1cccc([C@H](CNC(=O)c2cn(CCC[NH3+])nn2)[NH+]2CCOCC2)c1 ZINC000563060777 491211472 /nfs/dbraw/zinc/21/14/72/491211472.db2.gz BTKQZDYCSHBHNZ-SFHVURJKSA-N 2 2 372.473 0.739 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3COC[C@@H]3OC)CC2)CC1 ZINC000570035682 491211691 /nfs/dbraw/zinc/21/16/91/491211691.db2.gz QGBNDCWABVOOGS-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3COC[C@@H]3OC)CC2)CC1 ZINC000570035682 491211695 /nfs/dbraw/zinc/21/16/95/491211695.db2.gz QGBNDCWABVOOGS-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP [NH3+][C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000263357997 488610555 /nfs/dbraw/zinc/61/05/55/488610555.db2.gz SJVMEYDHRQTIJY-QGZVFWFLSA-N 2 2 354.458 0.805 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(=O)NC1CC1 ZINC000127008233 488613790 /nfs/dbraw/zinc/61/37/90/488613790.db2.gz UHXGMGXPQOZBLK-CRAIPNDOSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127008233 488613791 /nfs/dbraw/zinc/61/37/91/488613791.db2.gz UHXGMGXPQOZBLK-CRAIPNDOSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127008233 488613793 /nfs/dbraw/zinc/61/37/93/488613793.db2.gz UHXGMGXPQOZBLK-CRAIPNDOSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127008233 488613796 /nfs/dbraw/zinc/61/37/96/488613796.db2.gz UHXGMGXPQOZBLK-CRAIPNDOSA-N 2 2 358.486 0.976 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000127454798 488616947 /nfs/dbraw/zinc/61/69/47/488616947.db2.gz GWGZHRSKSIKWMY-AWEZNQCLSA-N 2 2 362.540 0.093 20 0 FCADLP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000263667978 488617281 /nfs/dbraw/zinc/61/72/81/488617281.db2.gz IGKLEEVMBIJYBD-SFHVURJKSA-N 3 2 374.533 0.346 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000263679389 488618220 /nfs/dbraw/zinc/61/82/20/488618220.db2.gz ODVNYSFRZJZXHL-MRXNPFEDSA-N 2 2 370.457 0.940 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000263679389 488618221 /nfs/dbraw/zinc/61/82/21/488618221.db2.gz ODVNYSFRZJZXHL-MRXNPFEDSA-N 2 2 370.457 0.940 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000127668787 488619110 /nfs/dbraw/zinc/61/91/10/488619110.db2.gz PZSXRMBIRAYPDW-QGZVFWFLSA-N 2 2 360.506 0.986 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCO[C@H]1CCOC1 ZINC000128292539 488623914 /nfs/dbraw/zinc/62/39/14/488623914.db2.gz AMJQXXZBUJACRR-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCO[C@H]1CCOC1 ZINC000128292539 488623915 /nfs/dbraw/zinc/62/39/15/488623915.db2.gz AMJQXXZBUJACRR-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000129387465 488630881 /nfs/dbraw/zinc/63/08/81/488630881.db2.gz UCCWFQZXGDUFSC-MOPGFXCFSA-N 2 2 358.486 0.346 20 0 FCADLP C[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000129387465 488630882 /nfs/dbraw/zinc/63/08/82/488630882.db2.gz UCCWFQZXGDUFSC-MOPGFXCFSA-N 2 2 358.486 0.346 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129666840 488633064 /nfs/dbraw/zinc/63/30/64/488633064.db2.gz CLKCMKWPOQGEIA-HNNXBMFYSA-N 2 2 360.458 0.768 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129666840 488633066 /nfs/dbraw/zinc/63/30/66/488633066.db2.gz CLKCMKWPOQGEIA-HNNXBMFYSA-N 2 2 360.458 0.768 20 0 FCADLP CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129721522 488633721 /nfs/dbraw/zinc/63/37/21/488633721.db2.gz RUYSKLCWOVMSOO-VXGBXAGGSA-N 2 2 360.418 0.101 20 0 FCADLP CCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]c1=O ZINC000129721522 488633722 /nfs/dbraw/zinc/63/37/22/488633722.db2.gz RUYSKLCWOVMSOO-VXGBXAGGSA-N 2 2 360.418 0.101 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068446 491213574 /nfs/dbraw/zinc/21/35/74/491213574.db2.gz XNAXHZDTXGIKOO-BVUBDWEXSA-N 2 2 352.458 0.772 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068446 491213578 /nfs/dbraw/zinc/21/35/78/491213578.db2.gz XNAXHZDTXGIKOO-BVUBDWEXSA-N 2 2 352.458 0.772 20 0 FCADLP CCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000130484828 488637969 /nfs/dbraw/zinc/63/79/69/488637969.db2.gz VMABUAFIZYMTMD-OAHLLOKOSA-N 2 2 356.492 0.549 20 0 FCADLP CCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000130484828 488637970 /nfs/dbraw/zinc/63/79/70/488637970.db2.gz VMABUAFIZYMTMD-OAHLLOKOSA-N 2 2 356.492 0.549 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000131316292 488644471 /nfs/dbraw/zinc/64/44/71/488644471.db2.gz UXTNIWRNDIKYSG-KRWDZBQOSA-N 2 2 370.453 0.697 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000131316292 488644472 /nfs/dbraw/zinc/64/44/72/488644472.db2.gz UXTNIWRNDIKYSG-KRWDZBQOSA-N 2 2 370.453 0.697 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3c[nH+]ccc3OC)CC2)c1 ZINC000264261679 488659141 /nfs/dbraw/zinc/65/91/41/488659141.db2.gz JUBAGSYAVVPRFC-UHFFFAOYSA-N 2 2 371.397 0.781 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCn1cc[nH+]c1 ZINC000133436442 488659619 /nfs/dbraw/zinc/65/96/19/488659619.db2.gz NGRLFLGKAVHWNG-UHFFFAOYSA-N 2 2 356.430 0.523 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000133720580 488661655 /nfs/dbraw/zinc/66/16/55/488661655.db2.gz JXMJUFCAHRPCHH-KRWDZBQOSA-N 2 2 373.501 0.921 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000264318514 488663482 /nfs/dbraw/zinc/66/34/82/488663482.db2.gz ONEYLVZPBAMPPJ-UHFFFAOYSA-N 2 2 365.478 0.638 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135752037 488675032 /nfs/dbraw/zinc/67/50/32/488675032.db2.gz XLWJVUKHMATCCX-CVEARBPZSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135752037 488675033 /nfs/dbraw/zinc/67/50/33/488675033.db2.gz XLWJVUKHMATCCX-CVEARBPZSA-N 2 2 372.535 0.039 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000135947395 488676054 /nfs/dbraw/zinc/67/60/54/488676054.db2.gz SONNSWZMCZKSRF-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000135947395 488676056 /nfs/dbraw/zinc/67/60/56/488676056.db2.gz SONNSWZMCZKSRF-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000136951066 488679792 /nfs/dbraw/zinc/67/97/92/488679792.db2.gz MZXQKKHMUJTRGI-MRXNPFEDSA-N 2 2 374.489 0.832 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000136951066 488679793 /nfs/dbraw/zinc/67/97/93/488679793.db2.gz MZXQKKHMUJTRGI-MRXNPFEDSA-N 2 2 374.489 0.832 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000137754685 488681459 /nfs/dbraw/zinc/68/14/59/488681459.db2.gz JRMXZADGJCUKDN-IRXDYDNUSA-N 2 2 354.495 0.600 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000137754685 488681462 /nfs/dbraw/zinc/68/14/62/488681462.db2.gz JRMXZADGJCUKDN-IRXDYDNUSA-N 2 2 354.495 0.600 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038403 488686332 /nfs/dbraw/zinc/68/63/32/488686332.db2.gz PXXSKKKRIZBAHZ-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038403 488686335 /nfs/dbraw/zinc/68/63/35/488686335.db2.gz PXXSKKKRIZBAHZ-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038403 488686337 /nfs/dbraw/zinc/68/63/37/488686337.db2.gz PXXSKKKRIZBAHZ-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC[C@@H]21 ZINC000140038403 488686338 /nfs/dbraw/zinc/68/63/38/488686338.db2.gz PXXSKKKRIZBAHZ-CJNGLKHVSA-N 2 2 366.487 0.689 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000151199605 488702275 /nfs/dbraw/zinc/70/22/75/488702275.db2.gz UJZAADODCUGBHN-HOTGVXAUSA-N 2 2 370.538 0.972 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151331630 488704299 /nfs/dbraw/zinc/70/42/99/488704299.db2.gz VVTJAZNRTQWZNX-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000151331630 488704302 /nfs/dbraw/zinc/70/43/02/488704302.db2.gz VVTJAZNRTQWZNX-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151331630 488704305 /nfs/dbraw/zinc/70/43/05/488704305.db2.gz VVTJAZNRTQWZNX-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151331630 488704308 /nfs/dbraw/zinc/70/43/08/488704308.db2.gz VVTJAZNRTQWZNX-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000264766721 488709342 /nfs/dbraw/zinc/70/93/42/488709342.db2.gz VBVGYTCAAHOXLP-QGZVFWFLSA-N 2 2 363.506 0.672 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000264766721 488709343 /nfs/dbraw/zinc/70/93/43/488709343.db2.gz VBVGYTCAAHOXLP-QGZVFWFLSA-N 2 2 363.506 0.672 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000152352201 488716553 /nfs/dbraw/zinc/71/65/53/488716553.db2.gz BTEMUMZNQUFZLB-MRXNPFEDSA-N 2 2 368.441 0.646 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000152352201 488716555 /nfs/dbraw/zinc/71/65/55/488716555.db2.gz BTEMUMZNQUFZLB-MRXNPFEDSA-N 2 2 368.441 0.646 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000563097568 491215457 /nfs/dbraw/zinc/21/54/57/491215457.db2.gz UHMMQULOQJXHTL-INIZCTEOSA-N 2 2 362.430 0.180 20 0 FCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102251 491215509 /nfs/dbraw/zinc/21/55/09/491215509.db2.gz ZRIFHMIODRTJRF-SWLSCSKDSA-N 2 2 366.487 0.112 20 0 FCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102251 491215511 /nfs/dbraw/zinc/21/55/11/491215511.db2.gz ZRIFHMIODRTJRF-SWLSCSKDSA-N 2 2 366.487 0.112 20 0 FCADLP C[C@@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798362 488735359 /nfs/dbraw/zinc/73/53/59/488735359.db2.gz RFYCWLMTBANJCU-MAUKXSAKSA-N 2 2 363.527 0.959 20 0 FCADLP C[C@@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798362 488735361 /nfs/dbraw/zinc/73/53/61/488735361.db2.gz RFYCWLMTBANJCU-MAUKXSAKSA-N 2 2 363.527 0.959 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000266870512 488739225 /nfs/dbraw/zinc/73/92/25/488739225.db2.gz XLYZOHVSHZQDGO-IBGZPJMESA-N 2 2 359.518 0.561 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000266870512 488739228 /nfs/dbraw/zinc/73/92/28/488739228.db2.gz XLYZOHVSHZQDGO-IBGZPJMESA-N 2 2 359.518 0.561 20 0 FCADLP CS[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1[NH+](C)C ZINC000274885443 488740734 /nfs/dbraw/zinc/74/07/34/488740734.db2.gz IINLHZQGAUUHKW-STQMWFEESA-N 2 2 350.492 0.237 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266921350 488744271 /nfs/dbraw/zinc/74/42/71/488744271.db2.gz LZGUTOMRAWIXMJ-GFCCVEGCSA-N 2 2 363.443 0.875 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266921350 488744272 /nfs/dbraw/zinc/74/42/72/488744272.db2.gz LZGUTOMRAWIXMJ-GFCCVEGCSA-N 2 2 363.443 0.875 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266953151 488747262 /nfs/dbraw/zinc/74/72/62/488747262.db2.gz UWCVPDKDCJTPMH-LBPRGKRZSA-N 2 2 369.429 0.739 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000274972986 488749476 /nfs/dbraw/zinc/74/94/76/488749476.db2.gz IOFJHMWLNSCBST-AWEZNQCLSA-N 2 2 350.488 0.846 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000155748992 488759006 /nfs/dbraw/zinc/75/90/06/488759006.db2.gz BEVPNLBSMZEYTR-SJORKVTESA-N 2 2 366.506 0.191 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156200549 488763311 /nfs/dbraw/zinc/76/33/11/488763311.db2.gz AFRCKZLNZQSVFD-QZTJIDSGSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000267236664 488771668 /nfs/dbraw/zinc/77/16/68/488771668.db2.gz KCWXGXVSIZHGRG-UHFFFAOYSA-N 2 2 360.458 0.554 20 0 FCADLP Cc1cc(N2CCC(NC(=O)[C@@H](C)N3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000267288924 488774942 /nfs/dbraw/zinc/77/49/42/488774942.db2.gz BIYLCUXXOSFONK-OAHLLOKOSA-N 2 2 360.506 0.814 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158737766 488780008 /nfs/dbraw/zinc/78/00/08/488780008.db2.gz NYAGCYOEYVWWDK-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158737766 488780010 /nfs/dbraw/zinc/78/00/10/488780010.db2.gz NYAGCYOEYVWWDK-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158737766 488780012 /nfs/dbraw/zinc/78/00/12/488780012.db2.gz NYAGCYOEYVWWDK-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158737766 488780014 /nfs/dbraw/zinc/78/00/14/488780014.db2.gz NYAGCYOEYVWWDK-HZPDHXFCSA-N 2 2 352.479 0.703 20 0 FCADLP CN(C)C(=O)c1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccn1 ZINC000267397021 488783607 /nfs/dbraw/zinc/78/36/07/488783607.db2.gz XJKIXINWBMARNQ-UHFFFAOYSA-N 2 2 362.478 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000267418471 488785056 /nfs/dbraw/zinc/78/50/56/488785056.db2.gz CBWQNQVDSHKKBQ-UONOGXRCSA-N 2 2 368.503 0.537 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000267505918 488792321 /nfs/dbraw/zinc/79/23/21/488792321.db2.gz HCWQEOXLGYFXJS-INIZCTEOSA-N 2 2 371.441 0.863 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000267505918 488792322 /nfs/dbraw/zinc/79/23/22/488792322.db2.gz HCWQEOXLGYFXJS-INIZCTEOSA-N 2 2 371.441 0.863 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000267522707 488793963 /nfs/dbraw/zinc/79/39/63/488793963.db2.gz QHCQUAFMLRXTHQ-KRWDZBQOSA-N 2 2 373.501 0.852 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000267522707 488793964 /nfs/dbraw/zinc/79/39/64/488793964.db2.gz QHCQUAFMLRXTHQ-KRWDZBQOSA-N 2 2 373.501 0.852 20 0 FCADLP Cc1sc2ncn(CCC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c(=O)c2c1C ZINC000162416195 488802471 /nfs/dbraw/zinc/80/24/71/488802471.db2.gz HEUQNSFWEIIMRO-CYBMUJFWSA-N 2 2 363.487 0.566 20 0 FCADLP Cc1sc2ncn(CCC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c(=O)c2c1C ZINC000162416195 488802473 /nfs/dbraw/zinc/80/24/73/488802473.db2.gz HEUQNSFWEIIMRO-CYBMUJFWSA-N 2 2 363.487 0.566 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C(C)(C)[NH3+])c2)CC1 ZINC000163581746 488808690 /nfs/dbraw/zinc/80/86/90/488808690.db2.gz REBNOFAKRYWFGP-UHFFFAOYSA-N 2 2 354.476 0.689 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000163761036 488809042 /nfs/dbraw/zinc/80/90/42/488809042.db2.gz DIYAFOGZUCWGHB-SJORKVTESA-N 2 2 350.507 0.779 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000165029167 488810782 /nfs/dbraw/zinc/81/07/82/488810782.db2.gz MKZDZEMNLDFQBP-MRXNPFEDSA-N 2 2 350.507 0.921 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000166186202 488811406 /nfs/dbraw/zinc/81/14/06/488811406.db2.gz LAYWUXQQPCPZES-UHFFFAOYSA-N 2 2 360.458 0.687 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000170767989 488815951 /nfs/dbraw/zinc/81/59/51/488815951.db2.gz IYVLZJJGQBQRAK-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCCO1 ZINC000170767989 488815953 /nfs/dbraw/zinc/81/59/53/488815953.db2.gz IYVLZJJGQBQRAK-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000171006442 488818811 /nfs/dbraw/zinc/81/88/11/488818811.db2.gz PBVXMWCCYOXVDH-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000171006442 488818812 /nfs/dbraw/zinc/81/88/12/488818812.db2.gz PBVXMWCCYOXVDH-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000171006442 488818813 /nfs/dbraw/zinc/81/88/13/488818813.db2.gz PBVXMWCCYOXVDH-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000171006442 488818814 /nfs/dbraw/zinc/81/88/14/488818814.db2.gz PBVXMWCCYOXVDH-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000171687047 488825813 /nfs/dbraw/zinc/82/58/13/488825813.db2.gz ROOXXKBYLMJYGR-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000171687047 488825814 /nfs/dbraw/zinc/82/58/14/488825814.db2.gz ROOXXKBYLMJYGR-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171687047 488825815 /nfs/dbraw/zinc/82/58/15/488825815.db2.gz ROOXXKBYLMJYGR-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171687047 488825816 /nfs/dbraw/zinc/82/58/16/488825816.db2.gz ROOXXKBYLMJYGR-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000171977808 488829203 /nfs/dbraw/zinc/82/92/03/488829203.db2.gz SJGHDYUDXZFQKH-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000171977808 488829204 /nfs/dbraw/zinc/82/92/04/488829204.db2.gz SJGHDYUDXZFQKH-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3noc(C)n3)CC2)CC1 ZINC000172254368 488831929 /nfs/dbraw/zinc/83/19/29/488831929.db2.gz RGVBIVSJXXQXGV-AWEZNQCLSA-N 2 2 350.467 0.048 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172698007 488836745 /nfs/dbraw/zinc/83/67/45/488836745.db2.gz YUJVHDQGBRRNPS-CYBMUJFWSA-N 2 2 355.870 0.405 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172789135 488837984 /nfs/dbraw/zinc/83/79/84/488837984.db2.gz FDKLNEMIHJCQKR-IBGZPJMESA-N 2 2 373.545 0.951 20 0 FCADLP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000172809965 488838252 /nfs/dbraw/zinc/83/82/52/488838252.db2.gz YZDFTNUQENRBGT-LJQANCHMSA-N 2 2 373.545 0.951 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000173618621 488844022 /nfs/dbraw/zinc/84/40/22/488844022.db2.gz GOVIXDDRDVGWHA-ZBFHGGJFSA-N 2 2 359.536 0.873 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000173658025 488844220 /nfs/dbraw/zinc/84/42/20/488844220.db2.gz XNZOULNJTFGZHV-GOSISDBHSA-N 2 2 374.485 0.411 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C[NH+]1CCN(C)CC1 ZINC000173741553 488845000 /nfs/dbraw/zinc/84/50/00/488845000.db2.gz UFIXZNMYXUMQED-QGZVFWFLSA-N 2 2 368.570 0.195 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000173781981 488845212 /nfs/dbraw/zinc/84/52/12/488845212.db2.gz SVUOMMGWNCYSDW-HNNXBMFYSA-N 2 2 355.508 0.649 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000173781981 488845213 /nfs/dbraw/zinc/84/52/13/488845213.db2.gz SVUOMMGWNCYSDW-HNNXBMFYSA-N 2 2 355.508 0.649 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000174243351 488848202 /nfs/dbraw/zinc/84/82/02/488848202.db2.gz ZNDZFHKMDGPFHJ-SJORKVTESA-N 2 2 356.511 0.848 20 0 FCADLP CC1(C)CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCCN1CCOCC1 ZINC000174871439 488851684 /nfs/dbraw/zinc/85/16/84/488851684.db2.gz XXOFUPZVAJSZKC-UHFFFAOYSA-N 2 2 368.566 0.827 20 0 FCADLP CC1(C)CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCCN1CCOCC1 ZINC000174871439 488851685 /nfs/dbraw/zinc/85/16/85/488851685.db2.gz XXOFUPZVAJSZKC-UHFFFAOYSA-N 2 2 368.566 0.827 20 0 FCADLP CC1(C)C[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000174871439 488851686 /nfs/dbraw/zinc/85/16/86/488851686.db2.gz XXOFUPZVAJSZKC-UHFFFAOYSA-N 2 2 368.566 0.827 20 0 FCADLP CC1(C)C[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000174871439 488851687 /nfs/dbraw/zinc/85/16/87/488851687.db2.gz XXOFUPZVAJSZKC-UHFFFAOYSA-N 2 2 368.566 0.827 20 0 FCADLP CNC(=O)CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000175012410 488852720 /nfs/dbraw/zinc/85/27/20/488852720.db2.gz SAMCFDGYMRVSOR-UHFFFAOYSA-N 2 2 362.474 0.772 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000175245848 488853491 /nfs/dbraw/zinc/85/34/91/488853491.db2.gz RDTXDVLJVODLLN-HNNXBMFYSA-N 2 2 364.515 0.980 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000175245848 488853492 /nfs/dbraw/zinc/85/34/92/488853492.db2.gz RDTXDVLJVODLLN-HNNXBMFYSA-N 2 2 364.515 0.980 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175609244 488854664 /nfs/dbraw/zinc/85/46/64/488854664.db2.gz LRAJCVXIEOHINP-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000175760898 488855498 /nfs/dbraw/zinc/85/54/98/488855498.db2.gz UXKPFHCVQWKBMW-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000175760898 488855499 /nfs/dbraw/zinc/85/54/99/488855499.db2.gz UXKPFHCVQWKBMW-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000177138816 488859198 /nfs/dbraw/zinc/85/91/98/488859198.db2.gz QAOFFXXTKMYYIV-INIZCTEOSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380972 488859440 /nfs/dbraw/zinc/85/94/40/488859440.db2.gz LDGPMVAVOZCYHO-AWEZNQCLSA-N 2 2 355.527 0.957 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380972 488859441 /nfs/dbraw/zinc/85/94/41/488859441.db2.gz LDGPMVAVOZCYHO-AWEZNQCLSA-N 2 2 355.527 0.957 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177380972 488859442 /nfs/dbraw/zinc/85/94/42/488859442.db2.gz LDGPMVAVOZCYHO-AWEZNQCLSA-N 2 2 355.527 0.957 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177380972 488859443 /nfs/dbraw/zinc/85/94/43/488859443.db2.gz LDGPMVAVOZCYHO-AWEZNQCLSA-N 2 2 355.527 0.957 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381112 488859477 /nfs/dbraw/zinc/85/94/77/488859477.db2.gz OUHUOJAYYYEUON-OAHLLOKOSA-N 2 2 355.527 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381112 488859478 /nfs/dbraw/zinc/85/94/78/488859478.db2.gz OUHUOJAYYYEUON-OAHLLOKOSA-N 2 2 355.527 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177381112 488859479 /nfs/dbraw/zinc/85/94/79/488859479.db2.gz OUHUOJAYYYEUON-OAHLLOKOSA-N 2 2 355.527 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177381112 488859480 /nfs/dbraw/zinc/85/94/80/488859480.db2.gz OUHUOJAYYYEUON-OAHLLOKOSA-N 2 2 355.527 0.815 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000178570162 488860479 /nfs/dbraw/zinc/86/04/79/488860479.db2.gz NOUOTNCADNUURE-OAHLLOKOSA-N 2 2 360.462 0.205 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000178570162 488860480 /nfs/dbraw/zinc/86/04/80/488860480.db2.gz NOUOTNCADNUURE-OAHLLOKOSA-N 2 2 360.462 0.205 20 0 FCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCOCC[NH+]1CCCC[C@H]1C(=O)NC ZINC000178594429 488860563 /nfs/dbraw/zinc/86/05/63/488860563.db2.gz WCYUZMPSQGUJNO-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP CNC(=O)[C@H]1CCCC[N@H+]1CCOCC[NH+]1CCCC[C@H]1C(=O)NC ZINC000178594429 488860564 /nfs/dbraw/zinc/86/05/64/488860564.db2.gz WCYUZMPSQGUJNO-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP CNC(=O)[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000178594429 488860565 /nfs/dbraw/zinc/86/05/65/488860565.db2.gz WCYUZMPSQGUJNO-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP CNC(=O)[C@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@H]1C(=O)NC ZINC000178594429 488860566 /nfs/dbraw/zinc/86/05/66/488860566.db2.gz WCYUZMPSQGUJNO-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000179311959 488861009 /nfs/dbraw/zinc/86/10/09/488861009.db2.gz FXDZPCBYAXKWBE-UHFFFAOYSA-N 3 2 369.554 0.501 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000179311959 488861010 /nfs/dbraw/zinc/86/10/10/488861010.db2.gz FXDZPCBYAXKWBE-UHFFFAOYSA-N 3 2 369.554 0.501 20 0 FCADLP CCCNC(=O)[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179280602 488861079 /nfs/dbraw/zinc/86/10/79/488861079.db2.gz ACLZUPLCRQKZHN-MRXNPFEDSA-N 2 2 367.538 0.960 20 0 FCADLP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000179642477 488861443 /nfs/dbraw/zinc/86/14/43/488861443.db2.gz HZPCQLCRBXJJNT-INIZCTEOSA-N 2 2 367.519 0.628 20 0 FCADLP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000179642477 488861444 /nfs/dbraw/zinc/86/14/44/488861444.db2.gz HZPCQLCRBXJJNT-INIZCTEOSA-N 2 2 367.519 0.628 20 0 FCADLP Cc1cc(=O)n2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)sc2n1 ZINC000180952176 488862805 /nfs/dbraw/zinc/86/28/05/488862805.db2.gz RHHRWUJVWLZJEM-UHFFFAOYSA-N 2 2 364.519 0.917 20 0 FCADLP Cc1cc(=O)n2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)sc2n1 ZINC000180952176 488862806 /nfs/dbraw/zinc/86/28/06/488862806.db2.gz RHHRWUJVWLZJEM-UHFFFAOYSA-N 2 2 364.519 0.917 20 0 FCADLP Cc1cc(=O)n2nc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)sc2n1 ZINC000180952176 488862807 /nfs/dbraw/zinc/86/28/07/488862807.db2.gz RHHRWUJVWLZJEM-UHFFFAOYSA-N 2 2 364.519 0.917 20 0 FCADLP Cc1cc(=O)n2nc(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)sc2n1 ZINC000180952176 488862808 /nfs/dbraw/zinc/86/28/08/488862808.db2.gz RHHRWUJVWLZJEM-UHFFFAOYSA-N 2 2 364.519 0.917 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000329164358 488976062 /nfs/dbraw/zinc/97/60/62/488976062.db2.gz GULQVTAWGMSMCY-CABCVRRESA-N 2 2 358.446 0.768 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000329164358 488976065 /nfs/dbraw/zinc/97/60/65/488976065.db2.gz GULQVTAWGMSMCY-CABCVRRESA-N 2 2 358.446 0.768 20 0 FCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000329167404 488976362 /nfs/dbraw/zinc/97/63/62/488976362.db2.gz IGNMIFISJZBYIL-XYJFISCASA-N 2 2 363.506 0.982 20 0 FCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000329167404 488976363 /nfs/dbraw/zinc/97/63/63/488976363.db2.gz IGNMIFISJZBYIL-XYJFISCASA-N 2 2 363.506 0.982 20 0 FCADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364721414 488991825 /nfs/dbraw/zinc/99/18/25/488991825.db2.gz HMSBEUVRQWIVLO-QGZVFWFLSA-N 2 2 353.507 0.793 20 0 FCADLP CC[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329354523 488996624 /nfs/dbraw/zinc/99/66/24/488996624.db2.gz VKTHACOMPCSAGO-SJORKVTESA-N 2 2 374.551 0.301 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)N1CCCC1 ZINC000329363447 488997456 /nfs/dbraw/zinc/99/74/56/488997456.db2.gz JFJGHDXVJYOBRO-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)N1CCCC1 ZINC000329363447 488997458 /nfs/dbraw/zinc/99/74/58/488997458.db2.gz JFJGHDXVJYOBRO-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)CC1 ZINC000364861112 489010989 /nfs/dbraw/zinc/01/09/89/489010989.db2.gz PJTLPEAEQWVNDE-SJORKVTESA-N 2 2 360.506 1.284 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC[C@H]3CCCCO3)CC2)CC1 ZINC000329571682 489016911 /nfs/dbraw/zinc/01/69/11/489016911.db2.gz IZVXRIZGMJNKGE-MRXNPFEDSA-N 2 2 360.524 0.055 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)c1c(F)cccc1F ZINC000570265057 491228790 /nfs/dbraw/zinc/22/87/90/491228790.db2.gz IUXUTIHIWMDFND-CQSZACIVSA-N 2 2 369.416 0.299 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329710572 489029933 /nfs/dbraw/zinc/02/99/33/489029933.db2.gz MIXPPAPQUHMZPN-BZUAXINKSA-N 2 2 352.479 0.803 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329710572 489029937 /nfs/dbraw/zinc/02/99/37/489029937.db2.gz MIXPPAPQUHMZPN-BZUAXINKSA-N 2 2 352.479 0.803 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000289283407 489055952 /nfs/dbraw/zinc/05/59/52/489055952.db2.gz SYKKSVBTXWFCQU-INIZCTEOSA-N 2 2 371.441 0.131 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC1)CC2 ZINC000563247538 491231644 /nfs/dbraw/zinc/23/16/44/491231644.db2.gz GYKIURGBSXRVRX-RDJZCZTQSA-N 2 2 373.501 0.909 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000570300218 491232008 /nfs/dbraw/zinc/23/20/08/491232008.db2.gz YPLIBVYSQXHVSP-HOTGVXAUSA-N 2 2 354.495 0.204 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000365584454 489090298 /nfs/dbraw/zinc/09/02/98/489090298.db2.gz MHCVDRLFJXUPPT-HZPDHXFCSA-N 2 2 352.479 0.092 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330311768 489090391 /nfs/dbraw/zinc/09/03/91/489090391.db2.gz VZOMTNMLGNGIFG-OLZOCXBDSA-N 2 2 360.462 0.750 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330311768 489090395 /nfs/dbraw/zinc/09/03/95/489090395.db2.gz VZOMTNMLGNGIFG-OLZOCXBDSA-N 2 2 360.462 0.750 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370210 489094291 /nfs/dbraw/zinc/09/42/91/489094291.db2.gz DTIBUFPCDLDCIB-HOCLYGCPSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370210 489094294 /nfs/dbraw/zinc/09/42/94/489094294.db2.gz DTIBUFPCDLDCIB-HOCLYGCPSA-N 2 2 354.520 0.833 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000365679113 489099648 /nfs/dbraw/zinc/09/96/48/489099648.db2.gz WGDFDRCKQFZUPB-HNNXBMFYSA-N 2 2 362.478 0.473 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C2 ZINC000563260049 491233346 /nfs/dbraw/zinc/23/33/46/491233346.db2.gz OGZXSTQVWNFQKA-ZIAGYGMSSA-N 2 2 352.504 0.595 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C2 ZINC000563260049 491233350 /nfs/dbraw/zinc/23/33/50/491233350.db2.gz OGZXSTQVWNFQKA-ZIAGYGMSSA-N 2 2 352.504 0.595 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940404 491233648 /nfs/dbraw/zinc/23/36/48/491233648.db2.gz JTVABSQFLJMGGJ-ZBFHGGJFSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940404 491233651 /nfs/dbraw/zinc/23/36/51/491233651.db2.gz JTVABSQFLJMGGJ-ZBFHGGJFSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000554940404 491233654 /nfs/dbraw/zinc/23/36/54/491233654.db2.gz JTVABSQFLJMGGJ-ZBFHGGJFSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000554940404 491233656 /nfs/dbraw/zinc/23/36/56/491233656.db2.gz JTVABSQFLJMGGJ-ZBFHGGJFSA-N 2 2 367.494 0.740 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000290102345 489114677 /nfs/dbraw/zinc/11/46/77/489114677.db2.gz XTUNUJXEIPRLRM-CVEARBPZSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCC[NH2+]C1 ZINC000290102345 489114682 /nfs/dbraw/zinc/11/46/82/489114682.db2.gz XTUNUJXEIPRLRM-CVEARBPZSA-N 2 2 374.489 0.398 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000282008265 489124773 /nfs/dbraw/zinc/12/47/73/489124773.db2.gz JJHKRBKFUZECKQ-MOPGFXCFSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000282008265 489124775 /nfs/dbraw/zinc/12/47/75/489124775.db2.gz JJHKRBKFUZECKQ-MOPGFXCFSA-N 2 2 374.529 0.718 20 0 FCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000563267928 491234441 /nfs/dbraw/zinc/23/44/41/491234441.db2.gz DSBCZGVWKOHEIW-FPOVZHCZSA-N 2 2 374.529 0.766 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000290275886 489126445 /nfs/dbraw/zinc/12/64/45/489126445.db2.gz ALWJSCZSWDAZSK-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000365994946 489133309 /nfs/dbraw/zinc/13/33/09/489133309.db2.gz GKUFYBJJCSSQOR-KGLIPLIRSA-N 2 2 354.476 0.338 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562727 489149642 /nfs/dbraw/zinc/14/96/42/489149642.db2.gz PKHVSHPLQPAPIM-HOTGVXAUSA-N 2 2 359.474 0.577 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562727 489149644 /nfs/dbraw/zinc/14/96/44/489149644.db2.gz PKHVSHPLQPAPIM-HOTGVXAUSA-N 2 2 359.474 0.577 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290719766 489160444 /nfs/dbraw/zinc/16/04/44/489160444.db2.gz XPZVILHMILHCFJ-MRXNPFEDSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262839 489164743 /nfs/dbraw/zinc/16/47/43/489164743.db2.gz NLDQSGZMFQZSTM-SJORKVTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262839 489164745 /nfs/dbraw/zinc/16/47/45/489164745.db2.gz NLDQSGZMFQZSTM-SJORKVTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366262839 489164746 /nfs/dbraw/zinc/16/47/46/489164746.db2.gz NLDQSGZMFQZSTM-SJORKVTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366262839 489164749 /nfs/dbraw/zinc/16/47/49/489164749.db2.gz NLDQSGZMFQZSTM-SJORKVTESA-N 2 2 354.495 0.506 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366373871 489175574 /nfs/dbraw/zinc/17/55/74/489175574.db2.gz NUWDHDYFVQRCPH-ZWKOTPCHSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366373871 489175576 /nfs/dbraw/zinc/17/55/76/489175576.db2.gz NUWDHDYFVQRCPH-ZWKOTPCHSA-N 2 2 351.491 0.999 20 0 FCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000570390064 491237751 /nfs/dbraw/zinc/23/77/51/491237751.db2.gz HASGAIJZAGIQLE-MKXAEBJUSA-N 2 2 357.495 0.072 20 0 FCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000570390064 491237753 /nfs/dbraw/zinc/23/77/53/491237753.db2.gz HASGAIJZAGIQLE-MKXAEBJUSA-N 2 2 357.495 0.072 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000282718240 489185742 /nfs/dbraw/zinc/18/57/42/489185742.db2.gz BSXPMLYPPYKLOA-VOTSOKGWSA-N 2 2 363.443 0.902 20 0 FCADLP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000331213848 489186514 /nfs/dbraw/zinc/18/65/14/489186514.db2.gz UJLQDFTYPHYRNY-OAHLLOKOSA-N 2 2 355.479 0.582 20 0 FCADLP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000331213848 489186517 /nfs/dbraw/zinc/18/65/17/489186517.db2.gz UJLQDFTYPHYRNY-OAHLLOKOSA-N 2 2 355.479 0.582 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000331213848 489186521 /nfs/dbraw/zinc/18/65/21/489186521.db2.gz UJLQDFTYPHYRNY-OAHLLOKOSA-N 2 2 355.479 0.582 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000331213848 489186523 /nfs/dbraw/zinc/18/65/23/489186523.db2.gz UJLQDFTYPHYRNY-OAHLLOKOSA-N 2 2 355.479 0.582 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482365 489187722 /nfs/dbraw/zinc/18/77/22/489187722.db2.gz WOGRSWZFPRXKEB-DZGCQCFKSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482365 489187726 /nfs/dbraw/zinc/18/77/26/489187726.db2.gz WOGRSWZFPRXKEB-DZGCQCFKSA-N 2 2 374.551 0.235 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1CCOC ZINC000297687170 489223946 /nfs/dbraw/zinc/22/39/46/489223946.db2.gz DDGACQDOSYIHTF-HNNXBMFYSA-N 2 2 363.462 0.185 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1CCOC ZINC000297687170 489223947 /nfs/dbraw/zinc/22/39/47/489223947.db2.gz DDGACQDOSYIHTF-HNNXBMFYSA-N 2 2 363.462 0.185 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690138 489224706 /nfs/dbraw/zinc/22/47/06/489224706.db2.gz FERKQZXRVYQHEN-WMLDXEAASA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690138 489224709 /nfs/dbraw/zinc/22/47/09/489224709.db2.gz FERKQZXRVYQHEN-WMLDXEAASA-N 2 2 357.458 0.701 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(=O)NCC(F)(F)F)C2)CC1 ZINC000369386627 489233009 /nfs/dbraw/zinc/23/30/09/489233009.db2.gz CWFGLTSPFLUPJF-NSHDSACASA-N 2 2 365.400 0.133 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(=O)NCC(F)(F)F)C2)CC1 ZINC000369386627 489233012 /nfs/dbraw/zinc/23/30/12/489233012.db2.gz CWFGLTSPFLUPJF-NSHDSACASA-N 2 2 365.400 0.133 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000332830295 489236618 /nfs/dbraw/zinc/23/66/18/489236618.db2.gz QLZAHUWSSVMRQR-MHORFTMASA-N 2 2 367.538 0.515 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H](C)O1 ZINC000332830295 489236622 /nfs/dbraw/zinc/23/66/22/489236622.db2.gz QLZAHUWSSVMRQR-MHORFTMASA-N 2 2 367.538 0.515 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H](C)O1 ZINC000332830295 489236625 /nfs/dbraw/zinc/23/66/25/489236625.db2.gz QLZAHUWSSVMRQR-MHORFTMASA-N 2 2 367.538 0.515 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H](C)O1 ZINC000332830295 489236627 /nfs/dbraw/zinc/23/66/27/489236627.db2.gz QLZAHUWSSVMRQR-MHORFTMASA-N 2 2 367.538 0.515 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@@H](C)O1 ZINC000332830294 489237230 /nfs/dbraw/zinc/23/72/30/489237230.db2.gz QLZAHUWSSVMRQR-BDXSIMOUSA-N 2 2 367.538 0.515 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000332830294 489237233 /nfs/dbraw/zinc/23/72/33/489237233.db2.gz QLZAHUWSSVMRQR-BDXSIMOUSA-N 2 2 367.538 0.515 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000283280102 489238259 /nfs/dbraw/zinc/23/82/59/489238259.db2.gz GNNAAYSMDPIKAT-GOSISDBHSA-N 2 2 369.469 0.680 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000283280102 489238264 /nfs/dbraw/zinc/23/82/64/489238264.db2.gz GNNAAYSMDPIKAT-GOSISDBHSA-N 2 2 369.469 0.680 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000283290268 489240332 /nfs/dbraw/zinc/24/03/32/489240332.db2.gz CIBYBQLGCNQKIP-UHFFFAOYSA-N 2 2 361.471 0.158 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000283380772 489252062 /nfs/dbraw/zinc/25/20/62/489252062.db2.gz IYNVEUDRBJRAMD-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)NCc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000283409747 489255815 /nfs/dbraw/zinc/25/58/15/489255815.db2.gz KPJGEEYKTUSFRQ-OAHLLOKOSA-N 2 2 359.430 0.464 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000283412344 489256010 /nfs/dbraw/zinc/25/60/10/489256010.db2.gz YWLOKQHSXHQZQT-INIZCTEOSA-N 2 2 365.478 0.349 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000283412344 489256012 /nfs/dbraw/zinc/25/60/12/489256012.db2.gz YWLOKQHSXHQZQT-INIZCTEOSA-N 2 2 365.478 0.349 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000283511787 489268174 /nfs/dbraw/zinc/26/81/74/489268174.db2.gz IFOMEILBWFRFOX-HZPDHXFCSA-N 2 2 363.462 0.131 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000297959919 489269337 /nfs/dbraw/zinc/26/93/37/489269337.db2.gz XCAYCTIHWJOZTR-WMZOPIPTSA-N 2 2 374.485 0.027 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000297959919 489269340 /nfs/dbraw/zinc/26/93/40/489269340.db2.gz XCAYCTIHWJOZTR-WMZOPIPTSA-N 2 2 374.485 0.027 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283591078 489278794 /nfs/dbraw/zinc/27/87/94/489278794.db2.gz TYTNNEGXLAFZPH-UHFFFAOYSA-N 2 2 357.458 0.985 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820630 489278889 /nfs/dbraw/zinc/27/88/89/489278889.db2.gz CHSLUMQYJBPXJB-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820630 489278892 /nfs/dbraw/zinc/27/88/92/489278892.db2.gz CHSLUMQYJBPXJB-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CC(N)=O)C3)C2)CC1 ZINC000369978618 489300003 /nfs/dbraw/zinc/30/00/03/489300003.db2.gz AANIPLQKRPGRFJ-GJZGRUSLSA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CC(N)=O)C3)C2)CC1 ZINC000369978618 489300005 /nfs/dbraw/zinc/30/00/05/489300005.db2.gz AANIPLQKRPGRFJ-GJZGRUSLSA-N 2 2 351.495 0.452 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000284269914 489309247 /nfs/dbraw/zinc/30/92/47/489309247.db2.gz AULBOUWLGGHPBB-UHFFFAOYSA-N 2 2 361.446 0.296 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370066812 489312780 /nfs/dbraw/zinc/31/27/80/489312780.db2.gz UXZJNRLBFJVKGC-DOTOQJQBSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370066812 489312783 /nfs/dbraw/zinc/31/27/83/489312783.db2.gz UXZJNRLBFJVKGC-DOTOQJQBSA-N 2 2 362.478 0.964 20 0 FCADLP COC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126723 489318682 /nfs/dbraw/zinc/31/86/82/489318682.db2.gz RJSRTWYOYSFCAR-GDBMZVCRSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000370126723 489318685 /nfs/dbraw/zinc/31/86/85/489318685.db2.gz RJSRTWYOYSFCAR-GDBMZVCRSA-N 2 2 368.478 0.128 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563450226 491248185 /nfs/dbraw/zinc/24/81/85/491248185.db2.gz BMDKUJDWNNEPSD-UONOGXRCSA-N 2 2 356.430 0.298 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563450223 491248327 /nfs/dbraw/zinc/24/83/27/491248327.db2.gz BMDKUJDWNNEPSD-KBPBESRZSA-N 2 2 356.430 0.298 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184901 489325472 /nfs/dbraw/zinc/32/54/72/489325472.db2.gz OFUQRUZUWCMSLR-GJZGRUSLSA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184901 489325474 /nfs/dbraw/zinc/32/54/74/489325474.db2.gz OFUQRUZUWCMSLR-GJZGRUSLSA-N 2 2 365.522 0.854 20 0 FCADLP Nc1cc(N)[nH+]c(SCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000298468513 489329013 /nfs/dbraw/zinc/32/90/13/489329013.db2.gz YGMDXASJSDMMMR-UHFFFAOYSA-N 2 2 359.459 0.867 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000285878785 489329782 /nfs/dbraw/zinc/32/97/82/489329782.db2.gz BXLODNPCZHXWDU-IBGZPJMESA-N 2 2 360.502 0.689 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1CC(C)(C)O ZINC000298649190 489348921 /nfs/dbraw/zinc/34/89/21/489348921.db2.gz QGUKXKQWZBWJGT-CYBMUJFWSA-N 2 2 359.430 0.576 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1CC(C)(C)O ZINC000298649190 489348923 /nfs/dbraw/zinc/34/89/23/489348923.db2.gz QGUKXKQWZBWJGT-CYBMUJFWSA-N 2 2 359.430 0.576 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286152019 489362119 /nfs/dbraw/zinc/36/21/19/489362119.db2.gz VYVWVXOAQQQITL-WMZOPIPTSA-N 2 2 373.501 0.723 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286152019 489362120 /nfs/dbraw/zinc/36/21/20/489362120.db2.gz VYVWVXOAQQQITL-WMZOPIPTSA-N 2 2 373.501 0.723 20 0 FCADLP C[NH2+][C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000286153125 489362141 /nfs/dbraw/zinc/36/21/41/489362141.db2.gz PYQAIJTYQOHPBE-SFHVURJKSA-N 3 2 371.489 0.404 20 0 FCADLP CCCNS(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000563470516 491250021 /nfs/dbraw/zinc/25/00/21/491250021.db2.gz XBOIACPTLPNHQH-CQSZACIVSA-N 2 2 369.491 0.482 20 0 FCADLP CCCNS(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000563470516 491250022 /nfs/dbraw/zinc/25/00/22/491250022.db2.gz XBOIACPTLPNHQH-CQSZACIVSA-N 2 2 369.491 0.482 20 0 FCADLP C[C@H](CO)[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H](C)O ZINC000370455816 489362537 /nfs/dbraw/zinc/36/25/37/489362537.db2.gz UTTUFJOLFRKVLI-SJORKVTESA-N 2 2 371.522 0.201 20 0 FCADLP C[C@H](CO)[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H](C)O ZINC000370455816 489362540 /nfs/dbraw/zinc/36/25/40/489362540.db2.gz UTTUFJOLFRKVLI-SJORKVTESA-N 2 2 371.522 0.201 20 0 FCADLP C[NH+]1CCN(C(=O)C23CCC(C(=O)N4CC[NH+](C)CC4)(CC2)CC3)CC1 ZINC000370507953 489368535 /nfs/dbraw/zinc/36/85/35/489368535.db2.gz KIWIJSMMWSBBKA-UHFFFAOYSA-N 2 2 362.518 0.875 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000370516803 489369556 /nfs/dbraw/zinc/36/95/56/489369556.db2.gz CEJPYQQZSYSKRY-SFHVURJKSA-N 2 2 353.507 0.935 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000370516803 489369559 /nfs/dbraw/zinc/36/95/59/489369559.db2.gz CEJPYQQZSYSKRY-SFHVURJKSA-N 2 2 353.507 0.935 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370516803 489369561 /nfs/dbraw/zinc/36/95/61/489369561.db2.gz CEJPYQQZSYSKRY-SFHVURJKSA-N 2 2 353.507 0.935 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370516803 489369564 /nfs/dbraw/zinc/36/95/64/489369564.db2.gz CEJPYQQZSYSKRY-SFHVURJKSA-N 2 2 353.507 0.935 20 0 FCADLP C[N@@H+]1CCN(CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236337 489372210 /nfs/dbraw/zinc/37/22/10/489372210.db2.gz UNWSJFBDSDQLLH-RBUKOAKNSA-N 2 2 360.502 0.860 20 0 FCADLP C[N@H+]1CCN(CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236337 489372213 /nfs/dbraw/zinc/37/22/13/489372213.db2.gz UNWSJFBDSDQLLH-RBUKOAKNSA-N 2 2 360.502 0.860 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000570586650 491251764 /nfs/dbraw/zinc/25/17/64/491251764.db2.gz WFMFBDDFOBNXAK-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000570586650 491251766 /nfs/dbraw/zinc/25/17/66/491251766.db2.gz WFMFBDDFOBNXAK-OAHLLOKOSA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000362672844 489391697 /nfs/dbraw/zinc/39/16/97/489391697.db2.gz KVRUPUORSAQJDL-QZTJIDSGSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000362672845 489391867 /nfs/dbraw/zinc/39/18/67/489391867.db2.gz KVRUPUORSAQJDL-ROUUACIJSA-N 3 2 367.538 0.253 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362703626 489393231 /nfs/dbraw/zinc/39/32/31/489393231.db2.gz QTNWJXBDUYLGOI-RBUKOAKNSA-N 2 2 358.486 0.566 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362703626 489393233 /nfs/dbraw/zinc/39/32/33/489393233.db2.gz QTNWJXBDUYLGOI-RBUKOAKNSA-N 2 2 358.486 0.566 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3c(=O)cnc4ccccc43)C2)CC1 ZINC000362710400 489394343 /nfs/dbraw/zinc/39/43/43/489394343.db2.gz JEJWLZGYPJGULU-HNNXBMFYSA-N 2 2 369.469 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3c(=O)cnc4ccccc43)C2)CC1 ZINC000362710400 489394345 /nfs/dbraw/zinc/39/43/45/489394345.db2.gz JEJWLZGYPJGULU-HNNXBMFYSA-N 2 2 369.469 0.681 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000286501977 489398298 /nfs/dbraw/zinc/39/82/98/489398298.db2.gz WNWVXAVAAPJHCR-OAHLLOKOSA-N 2 2 359.474 0.767 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000286501977 489398301 /nfs/dbraw/zinc/39/83/01/489398301.db2.gz WNWVXAVAAPJHCR-OAHLLOKOSA-N 2 2 359.474 0.767 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370863916 489415910 /nfs/dbraw/zinc/41/59/10/489415910.db2.gz XBPFSXDGAPUXEQ-CQSZACIVSA-N 2 2 353.511 0.616 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370863916 489415913 /nfs/dbraw/zinc/41/59/13/489415913.db2.gz XBPFSXDGAPUXEQ-CQSZACIVSA-N 2 2 353.511 0.616 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000286679457 489417158 /nfs/dbraw/zinc/41/71/58/489417158.db2.gz NAXULCBQCDVUHD-UHFFFAOYSA-N 2 2 373.457 0.683 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363070348 489418868 /nfs/dbraw/zinc/41/88/68/489418868.db2.gz NLHHHYYBXCZZBM-KRWDZBQOSA-N 2 2 374.551 0.414 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000299229482 489421346 /nfs/dbraw/zinc/42/13/46/489421346.db2.gz XTKGOXKWQWHJNC-MRXNPFEDSA-N 2 2 373.501 0.919 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000363218787 489439853 /nfs/dbraw/zinc/43/98/53/489439853.db2.gz MAVBUSAIDHVDDT-KRWDZBQOSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000363218787 489439856 /nfs/dbraw/zinc/43/98/56/489439856.db2.gz MAVBUSAIDHVDDT-KRWDZBQOSA-N 2 2 370.457 0.404 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1C ZINC000570699406 491259013 /nfs/dbraw/zinc/25/90/13/491259013.db2.gz WBELMEWPPBRKPE-ZIAGYGMSSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1C ZINC000570699406 491259014 /nfs/dbraw/zinc/25/90/14/491259014.db2.gz WBELMEWPPBRKPE-ZIAGYGMSSA-N 2 2 359.430 0.195 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000286917194 489443209 /nfs/dbraw/zinc/44/32/09/489443209.db2.gz COYZGPJECBPRJV-UHFFFAOYSA-N 2 2 373.457 0.635 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000287096468 489460561 /nfs/dbraw/zinc/46/05/61/489460561.db2.gz KOCKDASAVFNIEQ-UHFFFAOYSA-N 2 2 373.501 0.723 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000287096468 489460562 /nfs/dbraw/zinc/46/05/62/489460562.db2.gz KOCKDASAVFNIEQ-UHFFFAOYSA-N 2 2 373.501 0.723 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000563560650 491255228 /nfs/dbraw/zinc/25/52/28/491255228.db2.gz OQPDRQUCSMRCFT-HZPDHXFCSA-N 2 2 360.437 0.851 20 0 FCADLP CN(CC[N@H+](C)[C@H]1CCN(C2CCOCC2)C1=O)C1CC[NH+](C)CC1 ZINC000363466100 489469638 /nfs/dbraw/zinc/46/96/38/489469638.db2.gz BQDUCOHYHWRDHL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CN(CC[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O)C1CC[NH+](C)CC1 ZINC000363466100 489469640 /nfs/dbraw/zinc/46/96/40/489469640.db2.gz BQDUCOHYHWRDHL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363466100 489469642 /nfs/dbraw/zinc/46/96/42/489469642.db2.gz BQDUCOHYHWRDHL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363466100 489469644 /nfs/dbraw/zinc/46/96/44/489469644.db2.gz BQDUCOHYHWRDHL-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563577861 491255649 /nfs/dbraw/zinc/25/56/49/491255649.db2.gz HREDYHDEFNSWEX-STQMWFEESA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563577861 491255650 /nfs/dbraw/zinc/25/56/50/491255650.db2.gz HREDYHDEFNSWEX-STQMWFEESA-N 2 2 365.865 0.730 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(=O)OC ZINC000371299960 489475648 /nfs/dbraw/zinc/47/56/48/489475648.db2.gz LXFPJVGPIBQOAX-JMIFQINSSA-N 2 2 369.506 0.874 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(=O)OC ZINC000371299960 489475649 /nfs/dbraw/zinc/47/56/49/489475649.db2.gz LXFPJVGPIBQOAX-JMIFQINSSA-N 2 2 369.506 0.874 20 0 FCADLP O=C(C[NH+]1[C@@H](CO)CC[C@@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000287327825 489477880 /nfs/dbraw/zinc/47/78/80/489477880.db2.gz KIRUZEALOVVLPC-QZTJIDSGSA-N 2 2 363.458 0.275 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc4c(c3)NC(=O)CO4)C2)CC1 ZINC000371400195 489482977 /nfs/dbraw/zinc/48/29/77/489482977.db2.gz DRPLGRUEPSYFKA-CYBMUJFWSA-N 2 2 359.430 0.311 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc4c(c3)NC(=O)CO4)C2)CC1 ZINC000371400195 489482978 /nfs/dbraw/zinc/48/29/78/489482978.db2.gz DRPLGRUEPSYFKA-CYBMUJFWSA-N 2 2 359.430 0.311 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2C1 ZINC000371400674 489483051 /nfs/dbraw/zinc/48/30/51/489483051.db2.gz INTHFTOXLBMCRS-ROUUACIJSA-N 2 2 372.469 0.628 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2C1 ZINC000371400674 489483053 /nfs/dbraw/zinc/48/30/53/489483053.db2.gz INTHFTOXLBMCRS-ROUUACIJSA-N 2 2 372.469 0.628 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469811 489485188 /nfs/dbraw/zinc/48/51/88/489485188.db2.gz GSGNADJVDFAJGO-CEXWTWQISA-N 3 2 374.533 0.912 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469811 489485189 /nfs/dbraw/zinc/48/51/89/489485189.db2.gz GSGNADJVDFAJGO-CEXWTWQISA-N 3 2 374.533 0.912 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697385 489499422 /nfs/dbraw/zinc/49/94/22/489499422.db2.gz VUYSYAWAQKNRMW-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371697385 489499426 /nfs/dbraw/zinc/49/94/26/489499426.db2.gz VUYSYAWAQKNRMW-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000414526809 489501361 /nfs/dbraw/zinc/50/13/61/489501361.db2.gz LJIOOJAKGPYPHZ-SJLPKXTDSA-N 2 2 372.473 0.390 20 0 FCADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000414526809 489501364 /nfs/dbraw/zinc/50/13/64/489501364.db2.gz LJIOOJAKGPYPHZ-SJLPKXTDSA-N 2 2 372.473 0.390 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000570709450 491259426 /nfs/dbraw/zinc/25/94/26/491259426.db2.gz ZPJIPPJQDLFFDW-OWCLPIDISA-N 2 2 357.458 0.316 20 0 FCADLP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000451588976 489511156 /nfs/dbraw/zinc/51/11/56/489511156.db2.gz HEXRCZVDHHFYMA-CVEARBPZSA-N 2 2 369.506 0.925 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000415189697 489513365 /nfs/dbraw/zinc/51/33/65/489513365.db2.gz QHEPIUNOJQXLAU-HNNXBMFYSA-N 2 2 350.467 0.727 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000415396970 489517652 /nfs/dbraw/zinc/51/76/52/489517652.db2.gz IRISIKBBVSEZCC-UHFFFAOYSA-N 2 2 374.485 0.915 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)[NH+]1CCOCC1 ZINC000451701618 489518563 /nfs/dbraw/zinc/51/85/63/489518563.db2.gz HNAUAPBTWJZFTD-IKGGRYGDSA-N 2 2 353.507 0.696 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)[NH+]1CCOCC1 ZINC000451701618 489518565 /nfs/dbraw/zinc/51/85/65/489518565.db2.gz HNAUAPBTWJZFTD-IKGGRYGDSA-N 2 2 353.507 0.696 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415443335 489521933 /nfs/dbraw/zinc/52/19/33/489521933.db2.gz QXOZEECAZAULQD-QGZVFWFLSA-N 2 2 361.490 0.472 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415544092 489527731 /nfs/dbraw/zinc/52/77/31/489527731.db2.gz STCIDONZKHCBHC-WBVHZDCISA-N 2 2 373.501 0.568 20 0 FCADLP CC1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891084 489528925 /nfs/dbraw/zinc/52/89/25/489528925.db2.gz NVKYLJVIWDMTMX-WOJBJXKFSA-N 3 2 368.566 0.150 20 0 FCADLP CC1CN(C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891084 489528928 /nfs/dbraw/zinc/52/89/28/489528928.db2.gz NVKYLJVIWDMTMX-WOJBJXKFSA-N 3 2 368.566 0.150 20 0 FCADLP CC1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891084 489528931 /nfs/dbraw/zinc/52/89/31/489528931.db2.gz NVKYLJVIWDMTMX-WOJBJXKFSA-N 3 2 368.566 0.150 20 0 FCADLP CC1CN(C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000451891084 489528935 /nfs/dbraw/zinc/52/89/35/489528935.db2.gz NVKYLJVIWDMTMX-WOJBJXKFSA-N 3 2 368.566 0.150 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371987672 489531773 /nfs/dbraw/zinc/53/17/73/489531773.db2.gz OLJBGWNTSJMAHS-IAGOWNOFSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)NCCCCS(C)(=O)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425881209 489539619 /nfs/dbraw/zinc/53/96/19/489539619.db2.gz SQERXNAWVJMDPG-OAHLLOKOSA-N 2 2 374.551 0.621 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000415671332 489540699 /nfs/dbraw/zinc/54/06/99/489540699.db2.gz JETIWSZUAHUJLO-CALCHBBNSA-N 2 2 371.485 0.050 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000372101041 489544533 /nfs/dbraw/zinc/54/45/33/489544533.db2.gz HGGYJGGOHBVKJW-GOSISDBHSA-N 2 2 351.422 0.715 20 0 FCADLP CN(C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1C[NH2+]C1 ZINC000415730176 489547570 /nfs/dbraw/zinc/54/75/70/489547570.db2.gz DJBBWKOQZDQYEK-UHFFFAOYSA-N 2 2 351.410 0.971 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000426041379 489553716 /nfs/dbraw/zinc/55/37/16/489553716.db2.gz DWQYUFGHCXIOPJ-LSDHHAIUSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000426041379 489553718 /nfs/dbraw/zinc/55/37/18/489553718.db2.gz DWQYUFGHCXIOPJ-LSDHHAIUSA-N 2 2 353.511 0.698 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000453965470 489556257 /nfs/dbraw/zinc/55/62/57/489556257.db2.gz IKUYEGASTQBWSQ-CQSZACIVSA-N 2 2 356.430 1.149 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000453965470 489556258 /nfs/dbraw/zinc/55/62/58/489556258.db2.gz IKUYEGASTQBWSQ-CQSZACIVSA-N 2 2 356.430 1.149 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[C@@H](C)O1 ZINC000426226583 489559730 /nfs/dbraw/zinc/55/97/30/489559730.db2.gz IJILEHBCTOHRBD-HUUCEWRRSA-N 2 2 369.510 0.077 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416015882 489567322 /nfs/dbraw/zinc/56/73/22/489567322.db2.gz WJWYMJHJZYTOJK-GFCCVEGCSA-N 2 2 367.416 0.462 20 0 FCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372360146 489575296 /nfs/dbraw/zinc/57/52/96/489575296.db2.gz XCEWFIXRBXXORI-IBGZPJMESA-N 2 2 358.486 0.525 20 0 FCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372360146 489575299 /nfs/dbraw/zinc/57/52/99/489575299.db2.gz XCEWFIXRBXXORI-IBGZPJMESA-N 2 2 358.486 0.525 20 0 FCADLP C[NH+](C)CC(C)(C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000455073453 489585467 /nfs/dbraw/zinc/58/54/67/489585467.db2.gz MMIZHQQNKXMZLS-UHFFFAOYSA-N 2 2 362.478 0.931 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000563714492 491264845 /nfs/dbraw/zinc/26/48/45/491264845.db2.gz JIWAYULHQDMHCL-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCOCC1 ZINC000563714492 491264847 /nfs/dbraw/zinc/26/48/47/491264847.db2.gz JIWAYULHQDMHCL-XHSDSOJGSA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000372458134 489586121 /nfs/dbraw/zinc/58/61/21/489586121.db2.gz NILZLYMHGZSURO-IBGZPJMESA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000372458134 489586124 /nfs/dbraw/zinc/58/61/24/489586124.db2.gz NILZLYMHGZSURO-IBGZPJMESA-N 2 2 361.486 0.980 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372455762 489586398 /nfs/dbraw/zinc/58/63/98/489586398.db2.gz BTAZNUUEGUPUCY-HNNXBMFYSA-N 2 2 355.442 0.686 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372455762 489586399 /nfs/dbraw/zinc/58/63/99/489586399.db2.gz BTAZNUUEGUPUCY-HNNXBMFYSA-N 2 2 355.442 0.686 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689842 491265985 /nfs/dbraw/zinc/26/59/85/491265985.db2.gz JUMSZYPIKXJOGZ-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689842 491265986 /nfs/dbraw/zinc/26/59/86/491265986.db2.gz JUMSZYPIKXJOGZ-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555689842 491265987 /nfs/dbraw/zinc/26/59/87/491265987.db2.gz JUMSZYPIKXJOGZ-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555689842 491265988 /nfs/dbraw/zinc/26/59/88/491265988.db2.gz JUMSZYPIKXJOGZ-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H](C)[N@H+]1CCO ZINC000456212798 489610190 /nfs/dbraw/zinc/61/01/90/489610190.db2.gz PUHKVJKTYDDCLW-HDICACEKSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H](C)[N@@H+]1CCO ZINC000456212798 489610192 /nfs/dbraw/zinc/61/01/92/489610192.db2.gz PUHKVJKTYDDCLW-HDICACEKSA-N 2 2 374.529 0.961 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416820606 489630604 /nfs/dbraw/zinc/63/06/04/489630604.db2.gz KYDXYPLMDMPLQW-CQSZACIVSA-N 2 2 356.492 0.657 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000372743221 489632190 /nfs/dbraw/zinc/63/21/90/489632190.db2.gz QVIULKBJCBITLW-KGLIPLIRSA-N 2 2 354.476 0.023 20 0 FCADLP C[C@@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000428021749 489632828 /nfs/dbraw/zinc/63/28/28/489632828.db2.gz GOLXTFSTNJVLKQ-OAHLLOKOSA-N 2 2 374.485 0.749 20 0 FCADLP C[C@@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000428021749 489632831 /nfs/dbraw/zinc/63/28/31/489632831.db2.gz GOLXTFSTNJVLKQ-OAHLLOKOSA-N 2 2 374.485 0.749 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032077 489633615 /nfs/dbraw/zinc/63/36/15/489633615.db2.gz MSEXHTMJRGHJKG-JSGCOSHPSA-N 2 2 360.414 0.790 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032077 489633619 /nfs/dbraw/zinc/63/36/19/489633619.db2.gz MSEXHTMJRGHJKG-JSGCOSHPSA-N 2 2 360.414 0.790 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000555722812 491267691 /nfs/dbraw/zinc/26/76/91/491267691.db2.gz QAVHIAXEIYCRED-GOSISDBHSA-N 2 2 369.469 0.952 20 0 FCADLP CC[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000555722812 491267692 /nfs/dbraw/zinc/26/76/92/491267692.db2.gz QAVHIAXEIYCRED-GOSISDBHSA-N 2 2 369.469 0.952 20 0 FCADLP CN(C)c1ccc(CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c[nH+]1 ZINC000417011896 489638818 /nfs/dbraw/zinc/63/88/18/489638818.db2.gz UHYJAMQAFZOZRR-ZDUSSCGKSA-N 2 2 374.411 0.783 20 0 FCADLP C[C@@](O)(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000372821069 489640191 /nfs/dbraw/zinc/64/01/91/489640191.db2.gz JMSALXBDBIXLIT-MAUKXSAKSA-N 2 2 363.462 0.043 20 0 FCADLP C[N@H+](CCCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000457197658 489640346 /nfs/dbraw/zinc/64/03/46/489640346.db2.gz IQRDIBXHACSIPB-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+](CCCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000457197658 489640348 /nfs/dbraw/zinc/64/03/48/489640348.db2.gz IQRDIBXHACSIPB-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417166189 489643979 /nfs/dbraw/zinc/64/39/79/489643979.db2.gz ZARRINXTMPECRU-HOTGVXAUSA-N 2 2 361.494 0.415 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000417247623 489645595 /nfs/dbraw/zinc/64/55/95/489645595.db2.gz AZPOZEDAMHVFCP-MRXNPFEDSA-N 2 2 370.457 0.869 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257105 489645599 /nfs/dbraw/zinc/64/55/99/489645599.db2.gz GTQGOAQJRJIDIS-RDJZCZTQSA-N 2 2 356.536 0.835 20 0 FCADLP COC[C@@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]1 ZINC000417273828 489646159 /nfs/dbraw/zinc/64/61/59/489646159.db2.gz TUUUBGXFPARFSJ-DLBZAZTESA-N 2 2 372.535 0.262 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000417316114 489648201 /nfs/dbraw/zinc/64/82/01/489648201.db2.gz DRKGVROJGVKYNR-QGZVFWFLSA-N 2 2 362.474 0.949 20 0 FCADLP C[NH2+]CCCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417317596 489648270 /nfs/dbraw/zinc/64/82/70/489648270.db2.gz JCQQBGUVRFDMPU-UHFFFAOYSA-N 2 2 350.463 0.806 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000457752119 489655680 /nfs/dbraw/zinc/65/56/80/489655680.db2.gz WQNXVQOTBIJCNJ-HDICACEKSA-N 2 2 367.538 0.567 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604724 489659387 /nfs/dbraw/zinc/65/93/87/489659387.db2.gz VGOCVNTTYNWYSO-ZWKOTPCHSA-N 2 2 362.474 0.218 20 0 FCADLP C[C@H]([NH3+])CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417621663 489660088 /nfs/dbraw/zinc/66/00/88/489660088.db2.gz HOHSAFZFJIRRLU-HNNXBMFYSA-N 2 2 353.511 0.747 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417636844 489660240 /nfs/dbraw/zinc/66/02/40/489660240.db2.gz YLPVTICBWKSROK-QGZVFWFLSA-N 2 2 367.538 0.993 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417661102 489661253 /nfs/dbraw/zinc/66/12/53/489661253.db2.gz OOXZYEDKYJETIJ-WFASDCNBSA-N 2 2 355.433 0.770 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1c(F)cccc1F ZINC000417789189 489665875 /nfs/dbraw/zinc/66/58/75/489665875.db2.gz UTFAUYIDOLBYJH-WBMJQRKESA-N 2 2 366.412 0.635 20 0 FCADLP [NH3+][C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(F)cccc1F ZINC000417826818 489667300 /nfs/dbraw/zinc/66/73/00/489667300.db2.gz OUEUTLLUYVGXBP-AAEUAGOBSA-N 2 2 366.334 0.917 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859960 491270047 /nfs/dbraw/zinc/27/00/47/491270047.db2.gz QIWLBGMCAKVSMS-WMLDXEAASA-N 2 2 366.510 0.110 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000570859960 491270050 /nfs/dbraw/zinc/27/00/50/491270050.db2.gz QIWLBGMCAKVSMS-WMLDXEAASA-N 2 2 366.510 0.110 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991265 489669701 /nfs/dbraw/zinc/66/97/01/489669701.db2.gz JHMQAMZZWFVBOG-BEFAXECRSA-N 2 2 359.474 0.577 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428991265 489669704 /nfs/dbraw/zinc/66/97/04/489669704.db2.gz JHMQAMZZWFVBOG-BEFAXECRSA-N 2 2 359.474 0.577 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000429003139 489670486 /nfs/dbraw/zinc/67/04/86/489670486.db2.gz XZUUTDUHKVXRFT-CQSZACIVSA-N 2 2 374.254 0.985 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570872052 491270761 /nfs/dbraw/zinc/27/07/61/491270761.db2.gz TWKNIGWZROHRPG-OAHLLOKOSA-N 2 2 353.426 0.841 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570872052 491270762 /nfs/dbraw/zinc/27/07/62/491270762.db2.gz TWKNIGWZROHRPG-OAHLLOKOSA-N 2 2 353.426 0.841 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458455503 489684555 /nfs/dbraw/zinc/68/45/55/489684555.db2.gz LBAVCMBEODWBCS-OKZBNKHCSA-N 2 2 367.538 0.422 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458455503 489684556 /nfs/dbraw/zinc/68/45/56/489684556.db2.gz LBAVCMBEODWBCS-OKZBNKHCSA-N 2 2 367.538 0.422 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418403505 489696604 /nfs/dbraw/zinc/69/66/04/489696604.db2.gz IJZLEIWOHUNIAZ-IJEWVQPXSA-N 2 2 351.495 0.498 20 0 FCADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000418424289 489697130 /nfs/dbraw/zinc/69/71/30/489697130.db2.gz GTFAJHNJRYYXOH-KRWDZBQOSA-N 2 2 359.474 0.636 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442207 489697830 /nfs/dbraw/zinc/69/78/30/489697830.db2.gz JGVOMFDSHWPXNY-CVEARBPZSA-N 2 2 369.510 0.078 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000418451637 489698991 /nfs/dbraw/zinc/69/89/91/489698991.db2.gz WHPIVQUJRKEGQD-ZDUSSCGKSA-N 2 2 360.466 0.568 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000418453496 489699000 /nfs/dbraw/zinc/69/90/00/489699000.db2.gz ZILAGPCGFKVBQB-CYBMUJFWSA-N 2 2 360.466 0.712 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000555774692 491272281 /nfs/dbraw/zinc/27/22/81/491272281.db2.gz FYOOZBBVIFXJJX-LJQANCHMSA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000555774692 491272283 /nfs/dbraw/zinc/27/22/83/491272283.db2.gz FYOOZBBVIFXJJX-LJQANCHMSA-N 2 2 361.486 0.982 20 0 FCADLP [NH3+]C1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000429819869 489703501 /nfs/dbraw/zinc/70/35/01/489703501.db2.gz VVWMXYNOHTUQGK-UHFFFAOYSA-N 2 2 360.458 0.198 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418590540 489709044 /nfs/dbraw/zinc/70/90/44/489709044.db2.gz JOCUHAUSUXVCKW-MRXNPFEDSA-N 2 2 353.511 0.700 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000469621371 489716439 /nfs/dbraw/zinc/71/64/39/489716439.db2.gz LSWVZUWBTLPERS-QGZVFWFLSA-N 2 2 361.490 0.559 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000469621371 489716444 /nfs/dbraw/zinc/71/64/44/489716444.db2.gz LSWVZUWBTLPERS-QGZVFWFLSA-N 2 2 361.490 0.559 20 0 FCADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418704035 489718984 /nfs/dbraw/zinc/71/89/84/489718984.db2.gz FTPHVBPIGDDZFY-CQSZACIVSA-N 2 2 365.453 0.620 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418714180 489719382 /nfs/dbraw/zinc/71/93/82/489719382.db2.gz AJVKKXVFORSUAC-IXDOHACOSA-N 2 2 365.522 0.842 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCO1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418755062 489723157 /nfs/dbraw/zinc/72/31/57/489723157.db2.gz BLIYVAFJAASLGG-INIZCTEOSA-N 2 2 352.435 0.112 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000489793202 489728213 /nfs/dbraw/zinc/72/82/13/489728213.db2.gz CHIWMRHILLTUTD-INIZCTEOSA-N 2 2 359.474 0.931 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCc1nc2ccccc2s1 ZINC000489861477 489731663 /nfs/dbraw/zinc/73/16/63/489731663.db2.gz STHKJIDZARYWHP-OAHLLOKOSA-N 2 2 373.526 0.935 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489885771 489733280 /nfs/dbraw/zinc/73/32/80/489733280.db2.gz PYQQQVJOMAZNTQ-SFHVURJKSA-N 2 2 360.502 0.860 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1C ZINC000489944595 489736965 /nfs/dbraw/zinc/73/69/65/489736965.db2.gz YSUDYTDNJLIABW-INIZCTEOSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489957479 489737769 /nfs/dbraw/zinc/73/77/69/489737769.db2.gz QFGABPSRJDBJBX-KGLIPLIRSA-N 2 2 363.437 0.842 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000473708783 489739834 /nfs/dbraw/zinc/73/98/34/489739834.db2.gz BQXOHTZQJGKEOM-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000473708783 489739839 /nfs/dbraw/zinc/73/98/39/489739839.db2.gz BQXOHTZQJGKEOM-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418824919 489740643 /nfs/dbraw/zinc/74/06/43/489740643.db2.gz DPSNKXOLGZXGNA-SFHVURJKSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418824919 489740648 /nfs/dbraw/zinc/74/06/48/489740648.db2.gz DPSNKXOLGZXGNA-SFHVURJKSA-N 2 2 374.485 0.201 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000430575444 489747462 /nfs/dbraw/zinc/74/74/62/489747462.db2.gz LCELWXQZXDGHCV-GOSISDBHSA-N 2 2 355.527 0.008 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000418838993 489748882 /nfs/dbraw/zinc/74/88/82/489748882.db2.gz WGKCEXSPSRNZJN-XQQFMLRXSA-N 2 2 352.435 0.228 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000430589008 489749342 /nfs/dbraw/zinc/74/93/42/489749342.db2.gz GSTDGFQQVWQRGB-SFHVURJKSA-N 3 2 370.538 0.289 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000430589008 489749343 /nfs/dbraw/zinc/74/93/43/489749343.db2.gz GSTDGFQQVWQRGB-SFHVURJKSA-N 3 2 370.538 0.289 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418839357 489750352 /nfs/dbraw/zinc/75/03/52/489750352.db2.gz WPBBKLHXPYISHP-DAWZGUTISA-N 2 2 374.485 0.390 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418839357 489750354 /nfs/dbraw/zinc/75/03/54/489750354.db2.gz WPBBKLHXPYISHP-DAWZGUTISA-N 2 2 374.485 0.390 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000430600750 489751255 /nfs/dbraw/zinc/75/12/55/489751255.db2.gz YJDSELWXUATCJH-DOTOQJQBSA-N 2 2 359.536 0.908 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000490156671 489751626 /nfs/dbraw/zinc/75/16/26/489751626.db2.gz WXYHRFGTUYTBFX-HOTGVXAUSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000490156671 489751631 /nfs/dbraw/zinc/75/16/31/489751631.db2.gz WXYHRFGTUYTBFX-HOTGVXAUSA-N 2 2 368.547 0.579 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430614316 489753876 /nfs/dbraw/zinc/75/38/76/489753876.db2.gz YBSNMGOWFRRUDU-UHFFFAOYSA-N 2 2 370.856 0.801 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430614316 489753879 /nfs/dbraw/zinc/75/38/79/489753879.db2.gz YBSNMGOWFRRUDU-UHFFFAOYSA-N 2 2 370.856 0.801 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615723 489753961 /nfs/dbraw/zinc/75/39/61/489753961.db2.gz CZYNAIZNJONWJB-DOMZBBRYSA-N 2 2 366.412 0.857 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615723 489753963 /nfs/dbraw/zinc/75/39/63/489753963.db2.gz CZYNAIZNJONWJB-DOMZBBRYSA-N 2 2 366.412 0.857 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000459809571 489755629 /nfs/dbraw/zinc/75/56/29/489755629.db2.gz IMBUGZOIPKMZLZ-SFHVURJKSA-N 2 2 358.486 0.536 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000459809571 489755633 /nfs/dbraw/zinc/75/56/33/489755633.db2.gz IMBUGZOIPKMZLZ-SFHVURJKSA-N 2 2 358.486 0.536 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+](C)C ZINC000418852823 489757239 /nfs/dbraw/zinc/75/72/39/489757239.db2.gz RJMZTLWQHPNTMJ-IJEWVQPXSA-N 2 2 362.474 0.623 20 0 FCADLP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC([NH3+])CC1 ZINC000430626731 489757384 /nfs/dbraw/zinc/75/73/84/489757384.db2.gz SCJZEFFJSOBGLS-VIFPVBQESA-N 2 2 358.364 0.970 20 0 FCADLP C[N@H+](CC(=O)NCCCOC1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430635817 489759404 /nfs/dbraw/zinc/75/94/04/489759404.db2.gz WOTBZTZXKRDOGM-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP C[N@@H+](CC(=O)NCCCOC1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430635817 489759409 /nfs/dbraw/zinc/75/94/09/489759409.db2.gz WOTBZTZXKRDOGM-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638929 489760432 /nfs/dbraw/zinc/76/04/32/489760432.db2.gz GQMWRHJRDQRFTA-KBPBESRZSA-N 2 2 351.451 0.811 20 0 FCADLP CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638929 489760437 /nfs/dbraw/zinc/76/04/37/489760437.db2.gz GQMWRHJRDQRFTA-KBPBESRZSA-N 2 2 351.451 0.811 20 0 FCADLP O=C(CN1CCC[NH2+]CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000430639164 489760467 /nfs/dbraw/zinc/76/04/67/489760467.db2.gz FBEUSJFUFGPYOS-UHFFFAOYSA-N 2 2 358.486 0.561 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000459835654 489763752 /nfs/dbraw/zinc/76/37/52/489763752.db2.gz QBBKORWHRUWSNQ-UHFFFAOYSA-N 2 2 371.485 0.817 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](CC(F)F)CC1 ZINC000376651966 489768162 /nfs/dbraw/zinc/76/81/62/489768162.db2.gz HQHVVHDPEZUWLF-MRXNPFEDSA-N 2 2 374.476 0.486 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](CC(F)F)CC1 ZINC000376651966 489768164 /nfs/dbraw/zinc/76/81/64/489768164.db2.gz HQHVVHDPEZUWLF-MRXNPFEDSA-N 2 2 374.476 0.486 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000555858468 491277588 /nfs/dbraw/zinc/27/75/88/491277588.db2.gz XGBDJWRZBPCUMU-ULQDDVLXSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000555858468 491277590 /nfs/dbraw/zinc/27/75/90/491277590.db2.gz XGBDJWRZBPCUMU-ULQDDVLXSA-N 2 2 368.522 0.401 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)c1ccccc1Cl ZINC000418875839 489770320 /nfs/dbraw/zinc/77/03/20/489770320.db2.gz LAVSPOPRDRAJTA-OAHLLOKOSA-N 2 2 352.866 0.927 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000418878261 489771237 /nfs/dbraw/zinc/77/12/37/489771237.db2.gz QUSJFYNMTPZMDA-SWLSCSKDSA-N 2 2 352.866 0.866 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000376677703 489774005 /nfs/dbraw/zinc/77/40/05/489774005.db2.gz DFHGHGVOZRBWKE-CABCVRRESA-N 2 2 359.474 0.852 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418891501 489777433 /nfs/dbraw/zinc/77/74/33/489777433.db2.gz ULQCAFJEHSTWHB-OAHLLOKOSA-N 2 2 373.457 0.427 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@H]1[NH3+] ZINC000430931001 489777990 /nfs/dbraw/zinc/77/79/90/489777990.db2.gz BXYLKLLKJRLQQG-ZIAGYGMSSA-N 2 2 350.488 0.702 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[C@H]1[NH3+] ZINC000430931001 489777995 /nfs/dbraw/zinc/77/79/95/489777995.db2.gz BXYLKLLKJRLQQG-ZIAGYGMSSA-N 2 2 350.488 0.702 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000430931003 489778622 /nfs/dbraw/zinc/77/86/22/489778622.db2.gz BYEXBNDFPAHUOP-APWZRJJASA-N 2 2 360.502 0.804 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000430931003 489778625 /nfs/dbraw/zinc/77/86/25/489778625.db2.gz BYEXBNDFPAHUOP-APWZRJJASA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000430931003 489778626 /nfs/dbraw/zinc/77/86/26/489778626.db2.gz BYEXBNDFPAHUOP-APWZRJJASA-N 3 2 360.502 0.804 20 0 FCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940131 489779677 /nfs/dbraw/zinc/77/96/77/489779677.db2.gz NWRVAWQGYNJKDE-KRWDZBQOSA-N 3 2 358.486 0.546 20 0 FCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940131 489779679 /nfs/dbraw/zinc/77/96/79/489779679.db2.gz NWRVAWQGYNJKDE-KRWDZBQOSA-N 3 2 358.486 0.546 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430941138 489779749 /nfs/dbraw/zinc/77/97/49/489779749.db2.gz ULSYBOQDQLOSJC-TZMCWYRMSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430941138 489779751 /nfs/dbraw/zinc/77/97/51/489779751.db2.gz ULSYBOQDQLOSJC-TZMCWYRMSA-N 2 2 351.447 0.998 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430946674 489781181 /nfs/dbraw/zinc/78/11/81/489781181.db2.gz BKYJOEAJVBBIEL-MAUKXSAKSA-N 2 2 374.485 0.444 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430946674 489781186 /nfs/dbraw/zinc/78/11/86/489781186.db2.gz BKYJOEAJVBBIEL-MAUKXSAKSA-N 2 2 374.485 0.444 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000563945728 491278325 /nfs/dbraw/zinc/27/83/25/491278325.db2.gz JIVSHIYTKAXNJZ-KRWDZBQOSA-N 2 2 363.506 0.467 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000431008343 489784742 /nfs/dbraw/zinc/78/47/42/489784742.db2.gz RQKDBFWSBGLGNB-YJBOKZPZSA-N 2 2 374.485 0.850 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000459903616 489786208 /nfs/dbraw/zinc/78/62/08/489786208.db2.gz XMNLSYWIDIGGTH-UHFFFAOYSA-N 2 2 357.458 0.910 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000431037782 489786523 /nfs/dbraw/zinc/78/65/23/489786523.db2.gz LPMYVUOZNOTEFR-INIZCTEOSA-N 2 2 371.547 0.878 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418908946 489786910 /nfs/dbraw/zinc/78/69/10/489786910.db2.gz IRJZYRVRSPXHSB-MSOLQXFVSA-N 2 2 374.485 0.521 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000570919316 491273372 /nfs/dbraw/zinc/27/33/72/491273372.db2.gz UYYIODIXSWRZQR-NXHRZFHOSA-N 2 2 356.470 0.540 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC000570919316 491273373 /nfs/dbraw/zinc/27/33/73/491273373.db2.gz UYYIODIXSWRZQR-NXHRZFHOSA-N 2 2 356.470 0.540 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418915033 489789135 /nfs/dbraw/zinc/78/91/35/489789135.db2.gz PNHBUAQUCQEKAR-KRWDZBQOSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000418916439 489789926 /nfs/dbraw/zinc/78/99/26/489789926.db2.gz RSYVMXDOTUJJKU-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000459922329 489795003 /nfs/dbraw/zinc/79/50/03/489795003.db2.gz YRTZUJAMJOPSTC-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C1CCCC1 ZINC000418942022 489798350 /nfs/dbraw/zinc/79/83/50/489798350.db2.gz LIJCFGSJNLUOGP-OAHLLOKOSA-N 2 2 364.515 0.856 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC000418942022 489798354 /nfs/dbraw/zinc/79/83/54/489798354.db2.gz LIJCFGSJNLUOGP-OAHLLOKOSA-N 2 2 364.515 0.856 20 0 FCADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459940449 489800173 /nfs/dbraw/zinc/80/01/73/489800173.db2.gz XRGBEMUBZUXFTJ-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CCCN(C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH2+]C1 ZINC000418947764 489800573 /nfs/dbraw/zinc/80/05/73/489800573.db2.gz SWWXKTRIAMLIDU-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CCCN(C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH2+]C1 ZINC000418947764 489800577 /nfs/dbraw/zinc/80/05/77/489800577.db2.gz SWWXKTRIAMLIDU-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418993240 489812240 /nfs/dbraw/zinc/81/22/40/489812240.db2.gz ABGMACQMMQVJMS-UHFFFAOYSA-N 2 2 361.490 0.041 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418993240 489812245 /nfs/dbraw/zinc/81/22/45/489812245.db2.gz ABGMACQMMQVJMS-UHFFFAOYSA-N 2 2 361.490 0.041 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418997134 489813616 /nfs/dbraw/zinc/81/36/16/489813616.db2.gz OGCYRZLOOMJKOA-HIFRSBDPSA-N 2 2 357.458 0.965 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000460032983 489825812 /nfs/dbraw/zinc/82/58/12/489825812.db2.gz OPCIAGIUDCWTEQ-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]C1 ZINC000419042016 489831365 /nfs/dbraw/zinc/83/13/65/489831365.db2.gz OROLAQLYUNCZRP-LJQANCHMSA-N 2 2 355.442 0.994 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000460049025 489832036 /nfs/dbraw/zinc/83/20/36/489832036.db2.gz ARXPKUKWVJYORJ-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492654212 489833590 /nfs/dbraw/zinc/83/35/90/489833590.db2.gz GJZLAFYZTYODLI-HXUWFJFHSA-N 2 2 374.529 0.872 20 0 FCADLP CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492654212 489833594 /nfs/dbraw/zinc/83/35/94/489833594.db2.gz GJZLAFYZTYODLI-HXUWFJFHSA-N 2 2 374.529 0.872 20 0 FCADLP CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492654211 489834155 /nfs/dbraw/zinc/83/41/55/489834155.db2.gz GJZLAFYZTYODLI-FQEVSTJZSA-N 2 2 374.529 0.872 20 0 FCADLP CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492654211 489834158 /nfs/dbraw/zinc/83/41/58/489834158.db2.gz GJZLAFYZTYODLI-FQEVSTJZSA-N 2 2 374.529 0.872 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000419060663 489839030 /nfs/dbraw/zinc/83/90/30/489839030.db2.gz FIYWUZWHBRZEPW-QPSCCSFWSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC[NH2+]1 ZINC000419070489 489844397 /nfs/dbraw/zinc/84/43/97/489844397.db2.gz HJQZWUZIVWZROV-DOMZBBRYSA-N 2 2 359.405 0.585 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000460077150 489844419 /nfs/dbraw/zinc/84/44/19/489844419.db2.gz LJRRJNBKTJEHET-SJORKVTESA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000460077150 489844424 /nfs/dbraw/zinc/84/44/24/489844424.db2.gz LJRRJNBKTJEHET-SJORKVTESA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000460077140 489845017 /nfs/dbraw/zinc/84/50/17/489845017.db2.gz LJRRJNBKTJEHET-DLBZAZTESA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000460077140 489845020 /nfs/dbraw/zinc/84/50/20/489845020.db2.gz LJRRJNBKTJEHET-DLBZAZTESA-N 2 2 373.501 0.898 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419073743 489846248 /nfs/dbraw/zinc/84/62/48/489846248.db2.gz LFJCYKNVRMOQTO-HNNXBMFYSA-N 2 2 361.421 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000419083035 489849284 /nfs/dbraw/zinc/84/92/84/489849284.db2.gz JUMVYCNULFXLKQ-KBXIAJHMSA-N 2 2 354.495 0.199 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419082043 489849649 /nfs/dbraw/zinc/84/96/49/489849649.db2.gz PFIVNXFOERGGOA-CVEARBPZSA-N 2 2 373.432 0.975 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165910 489862309 /nfs/dbraw/zinc/86/23/09/489862309.db2.gz SWWRCAXZXDLNBY-SJORKVTESA-N 2 2 368.522 0.008 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165910 489862311 /nfs/dbraw/zinc/86/23/11/489862311.db2.gz SWWRCAXZXDLNBY-SJORKVTESA-N 2 2 368.522 0.008 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419117104 489862986 /nfs/dbraw/zinc/86/29/86/489862986.db2.gz LYKTYRTVSMENLT-QFBILLFUSA-N 2 2 366.506 0.062 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119815 489864383 /nfs/dbraw/zinc/86/43/83/489864383.db2.gz PGLDYIPIMBCTJI-JKSUJKDBSA-N 2 2 354.495 0.189 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119813 489864519 /nfs/dbraw/zinc/86/45/19/489864519.db2.gz PGLDYIPIMBCTJI-HOTGVXAUSA-N 2 2 354.495 0.189 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419121081 489865091 /nfs/dbraw/zinc/86/50/91/489865091.db2.gz ROUDFVYKFKMHGZ-YESZJQIVSA-N 2 2 368.522 0.293 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000476057169 489865170 /nfs/dbraw/zinc/86/51/70/489865170.db2.gz ZTHQJJBPSCDLHO-MRXNPFEDSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000476057169 489865173 /nfs/dbraw/zinc/86/51/73/489865173.db2.gz ZTHQJJBPSCDLHO-MRXNPFEDSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419120490 489865473 /nfs/dbraw/zinc/86/54/73/489865473.db2.gz QLANYBMBGFXENB-OWCLPIDISA-N 2 2 354.495 0.093 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419121972 489866302 /nfs/dbraw/zinc/86/63/02/489866302.db2.gz SRFAIBURDDCFAR-BZUAXINKSA-N 2 2 354.495 0.058 20 0 FCADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000571061612 491284158 /nfs/dbraw/zinc/28/41/58/491284158.db2.gz ZVXACKRXJICXRA-CGTJXYLNSA-N 2 2 356.470 0.766 20 0 FCADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000571061612 491284160 /nfs/dbraw/zinc/28/41/60/491284160.db2.gz ZVXACKRXJICXRA-CGTJXYLNSA-N 2 2 356.470 0.766 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419123107 489866832 /nfs/dbraw/zinc/86/68/32/489866832.db2.gz VDRFPWPLZMDNJK-CRAIPNDOSA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000419122777 489866926 /nfs/dbraw/zinc/86/69/26/489866926.db2.gz UQBFIKRLKSGVPQ-OAGGEKHMSA-N 2 2 354.495 0.045 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419124568 489868003 /nfs/dbraw/zinc/86/80/03/489868003.db2.gz XTZRZLGDTHTCHA-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433158616 489869524 /nfs/dbraw/zinc/86/95/24/489869524.db2.gz BOAYHJYBUMCPPS-UHFFFAOYSA-N 3 2 367.538 0.202 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494206940 489875152 /nfs/dbraw/zinc/87/51/52/489875152.db2.gz AFNREVYQDVVHDO-KRWDZBQOSA-N 2 2 367.538 0.565 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494206940 489875154 /nfs/dbraw/zinc/87/51/54/489875154.db2.gz AFNREVYQDVVHDO-KRWDZBQOSA-N 2 2 367.538 0.565 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494206940 489875158 /nfs/dbraw/zinc/87/51/58/489875158.db2.gz AFNREVYQDVVHDO-KRWDZBQOSA-N 2 2 367.538 0.565 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494206940 489875161 /nfs/dbraw/zinc/87/51/61/489875161.db2.gz AFNREVYQDVVHDO-KRWDZBQOSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC000433316147 489876523 /nfs/dbraw/zinc/87/65/23/489876523.db2.gz DSBQCCLJOYSDSG-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC000433316147 489876526 /nfs/dbraw/zinc/87/65/26/489876526.db2.gz DSBQCCLJOYSDSG-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000420001535 489877956 /nfs/dbraw/zinc/87/79/56/489877956.db2.gz QDKPIMHVNMHYQY-DLBZAZTESA-N 2 2 373.501 0.793 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420001538 489878063 /nfs/dbraw/zinc/87/80/63/489878063.db2.gz QDKPIMHVNMHYQY-SJORKVTESA-N 2 2 373.501 0.793 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420005537 489879127 /nfs/dbraw/zinc/87/91/27/489879127.db2.gz WQQUNOBKEIWXBV-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420005537 489879132 /nfs/dbraw/zinc/87/91/32/489879132.db2.gz WQQUNOBKEIWXBV-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000420027688 489885390 /nfs/dbraw/zinc/88/53/90/489885390.db2.gz DGFIXWUWQKYBDL-KDOFPFPSSA-N 2 2 374.485 0.754 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420059612 489897807 /nfs/dbraw/zinc/89/78/07/489897807.db2.gz GOECKDNSWGZNEM-HZPDHXFCSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420059612 489897809 /nfs/dbraw/zinc/89/78/09/489897809.db2.gz GOECKDNSWGZNEM-HZPDHXFCSA-N 2 2 374.489 0.143 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494655406 489901969 /nfs/dbraw/zinc/90/19/69/489901969.db2.gz QHYRKBBYSCFQTB-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433963837 489906710 /nfs/dbraw/zinc/90/67/10/489906710.db2.gz CEVBQFYUURPGQN-INIZCTEOSA-N 2 2 354.495 0.507 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433963837 489906712 /nfs/dbraw/zinc/90/67/12/489906712.db2.gz CEVBQFYUURPGQN-INIZCTEOSA-N 2 2 354.495 0.507 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000433992159 489908926 /nfs/dbraw/zinc/90/89/26/489908926.db2.gz YTUAXPHXYYUNOG-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000433992159 489908927 /nfs/dbraw/zinc/90/89/27/489908927.db2.gz YTUAXPHXYYUNOG-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000433992159 489908929 /nfs/dbraw/zinc/90/89/29/489908929.db2.gz YTUAXPHXYYUNOG-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420094566 489910168 /nfs/dbraw/zinc/91/01/68/489910168.db2.gz QYFUFPSNHQWNQZ-UHFFFAOYSA-N 2 2 360.458 0.337 20 0 FCADLP C[C@@](O)(CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000434078908 489911713 /nfs/dbraw/zinc/91/17/13/489911713.db2.gz MHHQCRQWRIYTAV-MRXNPFEDSA-N 2 2 353.492 0.525 20 0 FCADLP C[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1nncn1C ZINC000494787312 489913996 /nfs/dbraw/zinc/91/39/96/489913996.db2.gz ZJFJCANEEKUSCK-HNNXBMFYSA-N 2 2 364.494 0.617 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000434171162 489914691 /nfs/dbraw/zinc/91/46/91/489914691.db2.gz XTSCISNBQGHUFU-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000434171162 489914696 /nfs/dbraw/zinc/91/46/96/489914696.db2.gz XTSCISNBQGHUFU-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494814839 489915887 /nfs/dbraw/zinc/91/58/87/489915887.db2.gz ZIWMYIXMCKMUPC-GOEBONIOSA-N 2 2 358.446 0.175 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](CC(N)=O)C3)CC2)cc1 ZINC000377586559 489926641 /nfs/dbraw/zinc/92/66/41/489926641.db2.gz UQSLEOXKUZCXTQ-QGZVFWFLSA-N 2 2 374.485 0.537 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](CC(N)=O)C3)CC2)cc1 ZINC000377586559 489926644 /nfs/dbraw/zinc/92/66/44/489926644.db2.gz UQSLEOXKUZCXTQ-QGZVFWFLSA-N 2 2 374.485 0.537 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000564084174 491287732 /nfs/dbraw/zinc/28/77/32/491287732.db2.gz ITJJYZNNYBCWKK-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000477034354 489934337 /nfs/dbraw/zinc/93/43/37/489934337.db2.gz OZSVPKQYSVCGPL-INIZCTEOSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420164352 489937163 /nfs/dbraw/zinc/93/71/63/489937163.db2.gz GIVBJIGIQFJBJS-ZDUSSCGKSA-N 2 2 354.401 0.430 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420164352 489937164 /nfs/dbraw/zinc/93/71/64/489937164.db2.gz GIVBJIGIQFJBJS-ZDUSSCGKSA-N 2 2 354.401 0.430 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420169088 489938824 /nfs/dbraw/zinc/93/88/24/489938824.db2.gz QURIZLZHCRMINO-HNNXBMFYSA-N 2 2 359.474 0.625 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C(N)=O)cc3)C2)CC1 ZINC000377678517 489941151 /nfs/dbraw/zinc/94/11/51/489941151.db2.gz MVLVIGYPJDRQLX-INIZCTEOSA-N 2 2 359.474 0.753 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C(N)=O)cc3)C2)CC1 ZINC000377678517 489941152 /nfs/dbraw/zinc/94/11/52/489941152.db2.gz MVLVIGYPJDRQLX-INIZCTEOSA-N 2 2 359.474 0.753 20 0 FCADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC[NH2+]CCOC ZINC000420181444 489943559 /nfs/dbraw/zinc/94/35/59/489943559.db2.gz IGTQBYLIQIUQQR-CQSZACIVSA-N 2 2 351.451 0.309 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420184621 489944103 /nfs/dbraw/zinc/94/41/03/489944103.db2.gz AVWRFYZTQLYMPG-SJLPKXTDSA-N 2 2 358.486 0.883 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420199373 489949341 /nfs/dbraw/zinc/94/93/41/489949341.db2.gz DEFXZQFISUCBCE-JYYAWHABSA-N 2 2 358.442 0.566 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377751503 489953204 /nfs/dbraw/zinc/95/32/04/489953204.db2.gz YQQMKJIMHRDRJZ-BPQIPLTHSA-N 2 2 362.518 0.777 20 0 FCADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CSC[NH2+]1 ZINC000462063445 489954516 /nfs/dbraw/zinc/95/45/16/489954516.db2.gz WZGVTUWDYLQNKB-AWEZNQCLSA-N 2 2 350.492 0.158 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000571185302 491291114 /nfs/dbraw/zinc/29/11/14/491291114.db2.gz ZUFCICYWVALTGW-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1cccc2nc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000420311724 489962447 /nfs/dbraw/zinc/96/24/47/489962447.db2.gz RJMCDZHWLIYNBA-MRXNPFEDSA-N 2 2 355.442 0.399 20 0 FCADLP Cc1cccc2nc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000420311724 489962450 /nfs/dbraw/zinc/96/24/50/489962450.db2.gz RJMCDZHWLIYNBA-MRXNPFEDSA-N 2 2 355.442 0.399 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329215 489963766 /nfs/dbraw/zinc/96/37/66/489963766.db2.gz OBQDAUUOGUUMNP-OFQRWUPVSA-N 2 2 355.479 0.378 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(=O)OC ZINC000420329215 489963767 /nfs/dbraw/zinc/96/37/67/489963767.db2.gz OBQDAUUOGUUMNP-OFQRWUPVSA-N 2 2 355.479 0.378 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[NH2+]1 ZINC000420343479 489964610 /nfs/dbraw/zinc/96/46/10/489964610.db2.gz ZHPRAPDZERENID-MRXNPFEDSA-N 2 2 358.486 0.559 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1[NH3+] ZINC000420353350 489966488 /nfs/dbraw/zinc/96/64/88/489966488.db2.gz AZRDUDLVNIXREQ-MAUKXSAKSA-N 2 2 358.486 0.545 20 0 FCADLP c1nc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000420359446 489967448 /nfs/dbraw/zinc/96/74/48/489967448.db2.gz KOPVTPYWSPKLIM-UHFFFAOYSA-N 3 2 360.506 0.825 20 0 FCADLP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420360492 489967533 /nfs/dbraw/zinc/96/75/33/489967533.db2.gz WUKHMEBBWYINGQ-AUUDPHHASA-N 2 2 352.479 0.421 20 0 FCADLP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420360492 489967536 /nfs/dbraw/zinc/96/75/36/489967536.db2.gz WUKHMEBBWYINGQ-AUUDPHHASA-N 2 2 352.479 0.421 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000420371318 489968266 /nfs/dbraw/zinc/96/82/66/489968266.db2.gz DCDYQQTUESARQM-TZMCWYRMSA-N 2 2 368.503 0.758 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000420371318 489968271 /nfs/dbraw/zinc/96/82/71/489968271.db2.gz DCDYQQTUESARQM-TZMCWYRMSA-N 2 2 368.503 0.758 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@H]1[C@H](C)CC[NH2+][C@H]1C)S(C)(=O)=O ZINC000420378841 489969362 /nfs/dbraw/zinc/96/93/62/489969362.db2.gz XGRHSBAPCOUSMF-YCPHGPKFSA-N 2 2 362.540 0.139 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)S(C)(=O)=O ZINC000420378834 489969542 /nfs/dbraw/zinc/96/95/42/489969542.db2.gz XGRHSBAPCOUSMF-IIAWOOMASA-N 2 2 362.540 0.139 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000420382371 489969685 /nfs/dbraw/zinc/96/96/85/489969685.db2.gz PRPOYTHWFOWBCJ-BXUZGUMPSA-N 2 2 368.503 0.806 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000420382371 489969688 /nfs/dbraw/zinc/96/96/88/489969688.db2.gz PRPOYTHWFOWBCJ-BXUZGUMPSA-N 2 2 368.503 0.806 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406011 489972465 /nfs/dbraw/zinc/97/24/65/489972465.db2.gz NHNOMBSCOICDQI-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406011 489972468 /nfs/dbraw/zinc/97/24/68/489972468.db2.gz NHNOMBSCOICDQI-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462418081 489974506 /nfs/dbraw/zinc/97/45/06/489974506.db2.gz XKRKDFIHCQUCDK-LJQANCHMSA-N 2 2 360.458 0.778 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462418081 489974508 /nfs/dbraw/zinc/97/45/08/489974508.db2.gz XKRKDFIHCQUCDK-LJQANCHMSA-N 2 2 360.458 0.778 20 0 FCADLP CSC1(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000462511450 489979248 /nfs/dbraw/zinc/97/92/48/489979248.db2.gz GHPXGCXRUAOZAD-OAHLLOKOSA-N 2 2 374.551 0.148 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000556079556 491292750 /nfs/dbraw/zinc/29/27/50/491292750.db2.gz RWRDPGBJNHBFGW-HUUCEWRRSA-N 2 2 356.511 0.306 20 0 FCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477660734 489982438 /nfs/dbraw/zinc/98/24/38/489982438.db2.gz LJPFAMVMFOLRRW-HOTGVXAUSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477826938 489992248 /nfs/dbraw/zinc/99/22/48/489992248.db2.gz PCLIKHSRGHERDB-HRCADAONSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477826938 489992252 /nfs/dbraw/zinc/99/22/52/489992252.db2.gz PCLIKHSRGHERDB-HRCADAONSA-N 2 2 356.511 0.582 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3COc4ccccc4[C@@H]3O)C2)CC1 ZINC000378096853 490009293 /nfs/dbraw/zinc/00/92/93/490009293.db2.gz SPVALHSTPPPFHB-FNHZYXHNSA-N 2 2 374.485 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3COc4ccccc4[C@@H]3O)C2)CC1 ZINC000378096853 490009295 /nfs/dbraw/zinc/00/92/95/490009295.db2.gz SPVALHSTPPPFHB-FNHZYXHNSA-N 2 2 374.485 0.949 20 0 FCADLP [NH3+]C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCO1 ZINC000478269138 490013271 /nfs/dbraw/zinc/01/32/71/490013271.db2.gz URUADXPCUBZRNQ-QGZVFWFLSA-N 2 2 366.893 0.644 20 0 FCADLP O=C(CN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1)NC1CC1 ZINC000420904349 490030925 /nfs/dbraw/zinc/03/09/25/490030925.db2.gz PGKYMTGDAKSQQN-UHFFFAOYSA-N 2 2 372.513 0.915 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420905786 490031018 /nfs/dbraw/zinc/03/10/18/490031018.db2.gz RNUBGKPHPAGHCM-UHFFFAOYSA-N 2 2 360.502 0.725 20 0 FCADLP OCC[N@H+](CCN1CCOCC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914856 490032061 /nfs/dbraw/zinc/03/20/61/490032061.db2.gz KOQVCZDSWJYIDT-UHFFFAOYSA-N 2 2 363.502 0.645 20 0 FCADLP OCC[N@@H+](CCN1CCOCC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914856 490032066 /nfs/dbraw/zinc/03/20/66/490032066.db2.gz KOQVCZDSWJYIDT-UHFFFAOYSA-N 2 2 363.502 0.645 20 0 FCADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2C1 ZINC000478769395 490036386 /nfs/dbraw/zinc/03/63/86/490036386.db2.gz LSYLREYCQXYMDE-INIZCTEOSA-N 2 2 373.501 0.713 20 0 FCADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)c2C1 ZINC000478769395 490036389 /nfs/dbraw/zinc/03/63/89/490036389.db2.gz LSYLREYCQXYMDE-INIZCTEOSA-N 2 2 373.501 0.713 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2C1 ZINC000478769395 490036392 /nfs/dbraw/zinc/03/63/92/490036392.db2.gz LSYLREYCQXYMDE-INIZCTEOSA-N 2 2 373.501 0.713 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2C1 ZINC000478769395 490036395 /nfs/dbraw/zinc/03/63/95/490036395.db2.gz LSYLREYCQXYMDE-INIZCTEOSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C1 ZINC000478794112 490037964 /nfs/dbraw/zinc/03/79/64/490037964.db2.gz HGYZPKYFMUDJLO-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C1 ZINC000478794112 490037966 /nfs/dbraw/zinc/03/79/66/490037966.db2.gz HGYZPKYFMUDJLO-HOTGVXAUSA-N 2 2 355.527 0.109 20 0 FCADLP COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283896 490039513 /nfs/dbraw/zinc/03/95/13/490039513.db2.gz PMGYKPAJCULSLJ-TZMCWYRMSA-N 2 2 355.398 0.945 20 0 FCADLP COc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000378283896 490039519 /nfs/dbraw/zinc/03/95/19/490039519.db2.gz PMGYKPAJCULSLJ-TZMCWYRMSA-N 2 2 355.398 0.945 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000421134120 490048590 /nfs/dbraw/zinc/04/85/90/490048590.db2.gz XCLSYBXILRPXSX-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000421134120 490048594 /nfs/dbraw/zinc/04/85/94/490048594.db2.gz XCLSYBXILRPXSX-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478900936 490051077 /nfs/dbraw/zinc/05/10/77/490051077.db2.gz KAOQSPJCPHGVCO-UHFFFAOYSA-N 2 2 364.515 0.777 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478900936 490051081 /nfs/dbraw/zinc/05/10/81/490051081.db2.gz KAOQSPJCPHGVCO-UHFFFAOYSA-N 2 2 364.515 0.777 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421224723 490060040 /nfs/dbraw/zinc/06/00/40/490060040.db2.gz LSNBAXOFHGIXPK-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421224723 490060045 /nfs/dbraw/zinc/06/00/45/490060045.db2.gz LSNBAXOFHGIXPK-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423305 490062642 /nfs/dbraw/zinc/06/26/42/490062642.db2.gz BIGHYYFLLKBEJF-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+]([C@@H]3C=CCCCCC3)CC2)CC1 ZINC000556122513 491296749 /nfs/dbraw/zinc/29/67/49/491296749.db2.gz CBUJVLFHBHCICU-QGZVFWFLSA-N 2 2 356.536 0.985 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000479095749 490066113 /nfs/dbraw/zinc/06/61/13/490066113.db2.gz MZPXRCBKXZTOPF-MRXNPFEDSA-N 2 2 355.442 0.562 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000479095749 490066118 /nfs/dbraw/zinc/06/61/18/490066118.db2.gz MZPXRCBKXZTOPF-MRXNPFEDSA-N 2 2 355.442 0.562 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482457 490071205 /nfs/dbraw/zinc/07/12/05/490071205.db2.gz MENMHALUHPJRLV-ZBFHGGJFSA-N 2 2 351.447 0.636 20 0 FCADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482457 490071207 /nfs/dbraw/zinc/07/12/07/490071207.db2.gz MENMHALUHPJRLV-ZBFHGGJFSA-N 2 2 351.447 0.636 20 0 FCADLP CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc1 ZINC000571269605 491297037 /nfs/dbraw/zinc/29/70/37/491297037.db2.gz KIDMJUBUDNRXBR-CQSZACIVSA-N 2 2 355.508 0.628 20 0 FCADLP CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000571269605 491297040 /nfs/dbraw/zinc/29/70/40/491297040.db2.gz KIDMJUBUDNRXBR-CQSZACIVSA-N 2 2 355.508 0.628 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000479197438 490073011 /nfs/dbraw/zinc/07/30/11/490073011.db2.gz UTPKQNAFGGTHGM-LUKYLMHMSA-N 2 2 368.522 0.354 20 0 FCADLP COCC1(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CC[NH2+]CC1 ZINC000479216113 490074816 /nfs/dbraw/zinc/07/48/16/490074816.db2.gz YNFLXQUALUCHCM-UHFFFAOYSA-N 2 2 363.506 0.697 20 0 FCADLP Cn1cc(-c2nn(C)cc2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000444099960 490077026 /nfs/dbraw/zinc/07/70/26/490077026.db2.gz UPXFFMHBZHOXSV-UHFFFAOYSA-N 2 2 359.478 0.576 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000519808362 490087656 /nfs/dbraw/zinc/08/76/56/490087656.db2.gz AHSVWEFUTBMXEO-IAGOWNOFSA-N 2 2 350.507 0.731 20 0 FCADLP COC(=O)c1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cn1C ZINC000564298104 491298817 /nfs/dbraw/zinc/29/88/17/491298817.db2.gz BEBSZIIHPZUKQL-UHFFFAOYSA-N 2 2 372.473 0.904 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000545204990 490098725 /nfs/dbraw/zinc/09/87/25/490098725.db2.gz SUCAUQWWGQQSQV-HNNXBMFYSA-N 2 2 361.508 0.418 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000444655259 490101443 /nfs/dbraw/zinc/10/14/43/490101443.db2.gz SONXUUBGPJLECE-RTBURBONSA-N 2 2 374.529 0.890 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000564311041 491299673 /nfs/dbraw/zinc/29/96/73/491299673.db2.gz JUFXUMXFJDNDQJ-SNVBAGLBSA-N 2 2 367.400 0.805 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000556169748 491299973 /nfs/dbraw/zinc/29/99/73/491299973.db2.gz BURVAQKGXGUQLS-DLBZAZTESA-N 2 2 367.538 0.071 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000556169748 491299975 /nfs/dbraw/zinc/29/99/75/491299975.db2.gz BURVAQKGXGUQLS-DLBZAZTESA-N 2 2 367.538 0.071 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000479731348 490119117 /nfs/dbraw/zinc/11/91/17/490119117.db2.gz VKDXUBZQOFSABG-KRWDZBQOSA-N 2 2 355.527 0.112 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000479731348 490119123 /nfs/dbraw/zinc/11/91/23/490119123.db2.gz VKDXUBZQOFSABG-KRWDZBQOSA-N 2 2 355.527 0.112 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000479772693 490123080 /nfs/dbraw/zinc/12/30/80/490123080.db2.gz XWPYDESJVRLVOR-HDICACEKSA-N 2 2 358.486 0.491 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479766589 490124101 /nfs/dbraw/zinc/12/41/01/490124101.db2.gz QBHXJZSVKBCTPX-AHRSYUTCSA-N 3 2 372.513 0.675 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479766589 490124112 /nfs/dbraw/zinc/12/41/12/490124112.db2.gz QBHXJZSVKBCTPX-AHRSYUTCSA-N 3 2 372.513 0.675 20 0 FCADLP C[C@](O)(CNC(=O)NCCCNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000465692204 490138496 /nfs/dbraw/zinc/13/84/96/490138496.db2.gz MSZVGPHNCHESNY-KRWDZBQOSA-N 2 2 351.451 0.266 20 0 FCADLP CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000571350586 491302159 /nfs/dbraw/zinc/30/21/59/491302159.db2.gz WYVDAUDRSKNHAF-BRWVUGGUSA-N 2 2 362.474 0.902 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000479987231 490144250 /nfs/dbraw/zinc/14/42/50/490144250.db2.gz BZGPGHLLLFGHBL-OAHLLOKOSA-N 2 2 356.511 0.260 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)[nH+]c12 ZINC000520412417 490145767 /nfs/dbraw/zinc/14/57/67/490145767.db2.gz YGXWPJFDVIVFTL-INIZCTEOSA-N 2 2 369.469 0.856 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465891292 490149770 /nfs/dbraw/zinc/14/97/70/490149770.db2.gz PBDDYRHHEPPTNX-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465891292 490149779 /nfs/dbraw/zinc/14/97/79/490149779.db2.gz PBDDYRHHEPPTNX-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422107995 490159163 /nfs/dbraw/zinc/15/91/63/490159163.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422107995 490159170 /nfs/dbraw/zinc/15/91/70/490159170.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422107995 490159175 /nfs/dbraw/zinc/15/91/75/490159175.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422107995 490159182 /nfs/dbraw/zinc/15/91/82/490159182.db2.gz UAZIBJKAEMLSJD-QGZVFWFLSA-N 3 2 367.538 0.023 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCSC1 ZINC000556208953 491303585 /nfs/dbraw/zinc/30/35/85/491303585.db2.gz SJVQIUCZZMIOAK-KRWDZBQOSA-N 2 2 365.503 0.600 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCCOCC[NH+](CC)CC)C2)CC1 ZINC000546042060 490181976 /nfs/dbraw/zinc/18/19/76/490181976.db2.gz RKIRUUXUAJWIOE-SFHVURJKSA-N 2 2 369.554 0.766 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000520768704 490187100 /nfs/dbraw/zinc/18/71/00/490187100.db2.gz ZTBSGTISCCTBNO-BRWVUGGUSA-N 2 2 373.505 0.286 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)[nH+]1 ZINC000447144795 490192141 /nfs/dbraw/zinc/19/21/41/490192141.db2.gz COUCVRJFGZIRHB-AWEZNQCLSA-N 2 2 361.446 0.341 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)[nH+]1 ZINC000447144795 490192148 /nfs/dbraw/zinc/19/21/48/490192148.db2.gz COUCVRJFGZIRHB-AWEZNQCLSA-N 2 2 361.446 0.341 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H](COC)OC)CC2)CC1 ZINC000422170221 490197934 /nfs/dbraw/zinc/19/79/34/490197934.db2.gz AXRXIHWCUJWMMK-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H](COC)OC)CC2)CC1 ZINC000422170221 490197943 /nfs/dbraw/zinc/19/79/43/490197943.db2.gz AXRXIHWCUJWMMK-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308688 490210276 /nfs/dbraw/zinc/21/02/76/490210276.db2.gz VMDUUROIOLVYJA-IEBWSBKVSA-N 2 2 352.523 0.817 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308688 490210279 /nfs/dbraw/zinc/21/02/79/490210279.db2.gz VMDUUROIOLVYJA-IEBWSBKVSA-N 2 2 352.523 0.817 20 0 FCADLP CCOC(=O)C1CC[NH+](CC(O)C[NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC000497751691 490210685 /nfs/dbraw/zinc/21/06/85/490210685.db2.gz YQTGRWWBUFYQCH-UHFFFAOYSA-N 2 2 370.490 0.898 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000520987707 490211769 /nfs/dbraw/zinc/21/17/69/490211769.db2.gz HDJYDYYMJBHKMH-SJORKVTESA-N 2 2 355.527 0.014 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cncc(C(=O)N2CC[NH+](C)C[C@@H]2C)c1 ZINC000521038438 490215856 /nfs/dbraw/zinc/21/58/56/490215856.db2.gz NBGNPQBAQGFIKX-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cncc(C(=O)N2CC[NH+](C)C[C@@H]2C)c1 ZINC000521038438 490215861 /nfs/dbraw/zinc/21/58/61/490215861.db2.gz NBGNPQBAQGFIKX-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cncc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000521038438 490215866 /nfs/dbraw/zinc/21/58/66/490215866.db2.gz NBGNPQBAQGFIKX-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cncc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000521038438 490215871 /nfs/dbraw/zinc/21/58/71/490215871.db2.gz NBGNPQBAQGFIKX-GASCZTMLSA-N 2 2 359.474 0.634 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000447370478 490225029 /nfs/dbraw/zinc/22/50/29/490225029.db2.gz BGDSDNAAXJQFHZ-INIZCTEOSA-N 2 2 357.495 0.029 20 0 FCADLP C[N@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533433833 490233206 /nfs/dbraw/zinc/23/32/06/490233206.db2.gz FASWRYFDYXSJIS-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP C[N@@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533433833 490233212 /nfs/dbraw/zinc/23/32/12/490233212.db2.gz FASWRYFDYXSJIS-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)[nH+]c12 ZINC000521252528 490242642 /nfs/dbraw/zinc/24/26/42/490242642.db2.gz JJFRBSQFRMMWHH-MRXNPFEDSA-N 2 2 355.442 0.608 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000556352862 491310888 /nfs/dbraw/zinc/31/08/88/491310888.db2.gz FAEUUGOECKJULC-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000498206423 490270996 /nfs/dbraw/zinc/27/09/96/490270996.db2.gz FOZHZTWSTMJLGH-HNNXBMFYSA-N 2 2 357.401 0.996 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000483090577 490281805 /nfs/dbraw/zinc/28/18/05/490281805.db2.gz PMYKFOVTYNWZDE-CYBMUJFWSA-N 2 2 361.364 0.982 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368241 490282216 /nfs/dbraw/zinc/28/22/16/490282216.db2.gz UOBBUFZKKFVLGO-CVEARBPZSA-N 2 2 359.474 0.718 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368241 490282225 /nfs/dbraw/zinc/28/22/25/490282225.db2.gz UOBBUFZKKFVLGO-CVEARBPZSA-N 2 2 359.474 0.718 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000564568217 491314494 /nfs/dbraw/zinc/31/44/94/491314494.db2.gz SLVAZAFRPLHZOF-UHFFFAOYSA-N 2 2 351.476 0.889 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](CO)[C@@H]3CCCO3)CC2)c1 ZINC000447906940 490288123 /nfs/dbraw/zinc/28/81/23/490288123.db2.gz PPQUYQJCMGTBDF-OALUTQOASA-N 2 2 361.486 0.769 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000521662693 490288300 /nfs/dbraw/zinc/28/83/00/490288300.db2.gz TZQFAEQYRZLFAQ-OAHLLOKOSA-N 2 2 362.478 0.401 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000521662693 490288306 /nfs/dbraw/zinc/28/83/06/490288306.db2.gz TZQFAEQYRZLFAQ-OAHLLOKOSA-N 2 2 362.478 0.401 20 0 FCADLP CSCC[C@@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000498423164 490293616 /nfs/dbraw/zinc/29/36/16/490293616.db2.gz AKXADQONYPPLOB-CQSZACIVSA-N 2 2 359.540 0.261 20 0 FCADLP CSCC[C@@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000498423164 490293619 /nfs/dbraw/zinc/29/36/19/490293619.db2.gz AKXADQONYPPLOB-CQSZACIVSA-N 2 2 359.540 0.261 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000571548785 491315340 /nfs/dbraw/zinc/31/53/40/491315340.db2.gz SKGLZCYJXYEZNY-LSDHHAIUSA-N 2 2 363.462 0.272 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000571557760 491315774 /nfs/dbraw/zinc/31/57/74/491315774.db2.gz GEUYKPPMMNYGET-HZPDHXFCSA-N 2 2 353.511 0.555 20 0 FCADLP CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000571557760 491315776 /nfs/dbraw/zinc/31/57/76/491315776.db2.gz GEUYKPPMMNYGET-HZPDHXFCSA-N 2 2 353.511 0.555 20 0 FCADLP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470299 490341082 /nfs/dbraw/zinc/34/10/82/490341082.db2.gz AYPPASSMINKPPW-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000422470299 490341087 /nfs/dbraw/zinc/34/10/87/490341087.db2.gz AYPPASSMINKPPW-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000508639547 490344328 /nfs/dbraw/zinc/34/43/28/490344328.db2.gz WDFPDSYMRUIFKV-MLHJIOFPSA-N 2 2 354.539 0.872 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485077 490350488 /nfs/dbraw/zinc/35/04/88/490350488.db2.gz DPACUUZGGQDENL-RDJZCZTQSA-N 2 2 360.458 0.909 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485077 490350496 /nfs/dbraw/zinc/35/04/96/490350496.db2.gz DPACUUZGGQDENL-RDJZCZTQSA-N 2 2 360.458 0.909 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485076 490351095 /nfs/dbraw/zinc/35/10/95/490351095.db2.gz DPACUUZGGQDENL-NVXWUHKLSA-N 2 2 360.458 0.909 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485076 490351103 /nfs/dbraw/zinc/35/11/03/490351103.db2.gz DPACUUZGGQDENL-NVXWUHKLSA-N 2 2 360.458 0.909 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1CCOC ZINC000498851873 490352841 /nfs/dbraw/zinc/35/28/41/490352841.db2.gz GKRZFYIDNQUGAB-KRWDZBQOSA-N 2 2 366.506 0.324 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1CCOC ZINC000498851873 490352846 /nfs/dbraw/zinc/35/28/46/490352846.db2.gz GKRZFYIDNQUGAB-KRWDZBQOSA-N 2 2 366.506 0.324 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1CCOC ZINC000498851873 490352855 /nfs/dbraw/zinc/35/28/55/490352855.db2.gz GKRZFYIDNQUGAB-KRWDZBQOSA-N 2 2 366.506 0.324 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1CCOC ZINC000498851873 490352863 /nfs/dbraw/zinc/35/28/63/490352863.db2.gz GKRZFYIDNQUGAB-KRWDZBQOSA-N 2 2 366.506 0.324 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000498858890 490354926 /nfs/dbraw/zinc/35/49/26/490354926.db2.gz VIRSLPADTAZXHS-UHFFFAOYSA-N 2 2 371.485 0.807 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000498858890 490354935 /nfs/dbraw/zinc/35/49/35/490354935.db2.gz VIRSLPADTAZXHS-UHFFFAOYSA-N 2 2 371.485 0.807 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498893533 490361747 /nfs/dbraw/zinc/36/17/47/490361747.db2.gz RQNBRRXVDPVMFP-IAGOWNOFSA-N 2 2 361.552 0.996 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507870 490368459 /nfs/dbraw/zinc/36/84/59/490368459.db2.gz IQPGHWOMTKCQHR-UONOGXRCSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507870 490368462 /nfs/dbraw/zinc/36/84/62/490368462.db2.gz IQPGHWOMTKCQHR-UONOGXRCSA-N 2 2 356.536 0.481 20 0 FCADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000410880571 490374395 /nfs/dbraw/zinc/37/43/95/490374395.db2.gz YBJYVAQRUHWAKQ-IAGOWNOFSA-N 2 2 361.490 0.981 20 0 FCADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000410880571 490374397 /nfs/dbraw/zinc/37/43/97/490374397.db2.gz YBJYVAQRUHWAKQ-IAGOWNOFSA-N 2 2 361.490 0.981 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000498993243 490376824 /nfs/dbraw/zinc/37/68/24/490376824.db2.gz ZTMKYULVHNVPBU-ZDUSSCGKSA-N 2 2 350.419 0.502 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000498993243 490376828 /nfs/dbraw/zinc/37/68/28/490376828.db2.gz ZTMKYULVHNVPBU-ZDUSSCGKSA-N 2 2 350.419 0.502 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000522433154 490377742 /nfs/dbraw/zinc/37/77/42/490377742.db2.gz NLWJQJYHBSDTNG-IAGOWNOFSA-N 2 2 356.511 0.755 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000522433154 490377745 /nfs/dbraw/zinc/37/77/45/490377745.db2.gz NLWJQJYHBSDTNG-IAGOWNOFSA-N 2 2 356.511 0.755 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468279506 490379591 /nfs/dbraw/zinc/37/95/91/490379591.db2.gz PKZWPUDBLJHCBU-GOSISDBHSA-N 2 2 366.550 0.877 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000468279506 490379596 /nfs/dbraw/zinc/37/95/96/490379596.db2.gz PKZWPUDBLJHCBU-GOSISDBHSA-N 2 2 366.550 0.877 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnccn1 ZINC000571670351 491322204 /nfs/dbraw/zinc/32/22/04/491322204.db2.gz AOLLGAFCLUFDIV-QGZVFWFLSA-N 2 2 355.442 0.215 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cnccn1 ZINC000571670351 491322205 /nfs/dbraw/zinc/32/22/05/491322205.db2.gz AOLLGAFCLUFDIV-QGZVFWFLSA-N 2 2 355.442 0.215 20 0 FCADLP C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000499124000 490390500 /nfs/dbraw/zinc/39/05/00/490390500.db2.gz JUKDEFCPLNZGGH-GOSISDBHSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000499124000 490390504 /nfs/dbraw/zinc/39/05/04/490390504.db2.gz JUKDEFCPLNZGGH-GOSISDBHSA-N 2 2 361.486 0.850 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484196034 490396184 /nfs/dbraw/zinc/39/61/84/490396184.db2.gz BPCKJFOQVHKBKU-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP C[N@@H+]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000522739993 490397685 /nfs/dbraw/zinc/39/76/85/490397685.db2.gz GIAZKGKFLMVSHN-UHFFFAOYSA-N 2 2 374.489 0.467 20 0 FCADLP C[N@H+]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000522739993 490397691 /nfs/dbraw/zinc/39/76/91/490397691.db2.gz GIAZKGKFLMVSHN-UHFFFAOYSA-N 2 2 374.489 0.467 20 0 FCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000449130952 490403009 /nfs/dbraw/zinc/40/30/09/490403009.db2.gz JDOOVFIIIWMJLO-CQSZACIVSA-N 2 2 360.462 0.102 20 0 FCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000449130952 490403022 /nfs/dbraw/zinc/40/30/22/490403022.db2.gz JDOOVFIIIWMJLO-CQSZACIVSA-N 2 2 360.462 0.102 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc(C)[nH+]1 ZINC000422587483 490417493 /nfs/dbraw/zinc/41/74/93/490417493.db2.gz IDCFSONZLHZZCM-UHFFFAOYSA-N 2 2 360.458 0.638 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000422594212 490420107 /nfs/dbraw/zinc/42/01/07/490420107.db2.gz VUDMHMQITAUGFJ-INIZCTEOSA-N 2 2 360.458 0.495 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(C)[nH+]1 ZINC000422594793 490420208 /nfs/dbraw/zinc/42/02/08/490420208.db2.gz XFNJXQLXGGJRST-HZPDHXFCSA-N 2 2 362.474 0.930 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556652941 491325815 /nfs/dbraw/zinc/32/58/15/491325815.db2.gz CDBIHORPRNHDRK-UHFFFAOYSA-N 2 2 351.451 0.007 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556652941 491325816 /nfs/dbraw/zinc/32/58/16/491325816.db2.gz CDBIHORPRNHDRK-UHFFFAOYSA-N 2 2 351.451 0.007 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH+]c2c1 ZINC000556653993 491325856 /nfs/dbraw/zinc/32/58/56/491325856.db2.gz KPRGQTNRMFHQGW-XJKSGUPXSA-N 2 2 355.442 0.858 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH+]c2c1 ZINC000556653993 491325858 /nfs/dbraw/zinc/32/58/58/491325858.db2.gz KPRGQTNRMFHQGW-XJKSGUPXSA-N 2 2 355.442 0.858 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(=O)[nH]c1=O ZINC000422640961 490439668 /nfs/dbraw/zinc/43/96/68/490439668.db2.gz WRKVZHCSRWQEIF-UTUOFQBUSA-N 2 2 351.451 0.429 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(=O)[nH]c1=O ZINC000422640961 490439675 /nfs/dbraw/zinc/43/96/75/490439675.db2.gz WRKVZHCSRWQEIF-UTUOFQBUSA-N 2 2 351.451 0.429 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411403564 490449818 /nfs/dbraw/zinc/44/98/18/490449818.db2.gz BZKHJNWRSBBESU-CYBMUJFWSA-N 2 2 366.437 0.867 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411403564 490449824 /nfs/dbraw/zinc/44/98/24/490449824.db2.gz BZKHJNWRSBBESU-CYBMUJFWSA-N 2 2 366.437 0.867 20 0 FCADLP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000484748735 490461688 /nfs/dbraw/zinc/46/16/88/490461688.db2.gz FNWWMFCXYBRFBT-IBGZPJMESA-N 2 2 371.522 0.465 20 0 FCADLP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000484748735 490461693 /nfs/dbraw/zinc/46/16/93/490461693.db2.gz FNWWMFCXYBRFBT-IBGZPJMESA-N 2 2 371.522 0.465 20 0 FCADLP C[C@@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422716716 490464485 /nfs/dbraw/zinc/46/44/85/490464485.db2.gz VESBPENEUIWMER-INIZCTEOSA-N 3 2 369.535 0.641 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000548343338 490465257 /nfs/dbraw/zinc/46/52/57/490465257.db2.gz FRSNLRRUVGYGNI-ZBFHGGJFSA-N 2 2 351.451 0.662 20 0 FCADLP CNc1nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)[nH+]c2ccccc21 ZINC000450431109 490467134 /nfs/dbraw/zinc/46/71/34/490467134.db2.gz XQAJUUSVRYXTPW-UHFFFAOYSA-N 2 2 357.458 1.335 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499910927 490468812 /nfs/dbraw/zinc/46/88/12/490468812.db2.gz CYDRWJURAMJHKG-KRWDZBQOSA-N 2 2 360.506 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499910927 490468818 /nfs/dbraw/zinc/46/88/18/490468818.db2.gz CYDRWJURAMJHKG-KRWDZBQOSA-N 2 2 360.506 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499910936 490468998 /nfs/dbraw/zinc/46/89/98/490468998.db2.gz CYDRWJURAMJHKG-QGZVFWFLSA-N 2 2 360.506 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499910936 490469001 /nfs/dbraw/zinc/46/90/01/490469001.db2.gz CYDRWJURAMJHKG-QGZVFWFLSA-N 2 2 360.506 0.931 20 0 FCADLP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000564822566 491329025 /nfs/dbraw/zinc/32/90/25/491329025.db2.gz GWECUKUNMNLSCY-CVEARBPZSA-N 2 2 359.536 0.936 20 0 FCADLP COc1cc2[nH+]c(NC[C@H]3CCC[N@@H+]3CCCO)nc(N)c2cc1OC ZINC000450598779 490477191 /nfs/dbraw/zinc/47/71/91/490477191.db2.gz REDCVHTYLUPCHK-GFCCVEGCSA-N 2 2 361.446 0.910 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@@H+]1CC(C)(C)O ZINC000548383921 490477202 /nfs/dbraw/zinc/47/72/02/490477202.db2.gz WFYVWSCMHAGYBW-CYBMUJFWSA-N 2 2 374.489 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@H+]1CC(C)(C)O ZINC000548383921 490477207 /nfs/dbraw/zinc/47/72/07/490477207.db2.gz WFYVWSCMHAGYBW-CYBMUJFWSA-N 2 2 374.489 0.952 20 0 FCADLP COc1cc2[nH+]c(NC[C@H]3CCC[N@H+]3CCCO)nc(N)c2cc1OC ZINC000450598779 490477196 /nfs/dbraw/zinc/47/71/96/490477196.db2.gz REDCVHTYLUPCHK-GFCCVEGCSA-N 2 2 361.446 0.910 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000484910444 490477748 /nfs/dbraw/zinc/47/77/48/490477748.db2.gz UYSZLAPCNTWOSC-AVGNSLFASA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000484910444 490477760 /nfs/dbraw/zinc/47/77/60/490477760.db2.gz UYSZLAPCNTWOSC-AVGNSLFASA-N 2 2 366.487 0.281 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000500025715 490478833 /nfs/dbraw/zinc/47/88/33/490478833.db2.gz DJDAAHOVEQVFAY-OAHLLOKOSA-N 2 2 366.487 0.145 20 0 FCADLP C[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000535430473 490489663 /nfs/dbraw/zinc/48/96/63/490489663.db2.gz ITUDDXCEGPQZHI-INIZCTEOSA-N 3 2 355.527 0.280 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422871659 490489949 /nfs/dbraw/zinc/48/99/49/490489949.db2.gz ZKGCGXHRQSFZDR-JKSUJKDBSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H](O)CNc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)nc[nH+]1 ZINC000413137898 490498907 /nfs/dbraw/zinc/49/89/07/490498907.db2.gz PAEMGIJFDQUQJI-ZDUSSCGKSA-N 2 2 350.467 0.624 20 0 FCADLP C[C@H](O)CNc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]cn1 ZINC000413137898 490498912 /nfs/dbraw/zinc/49/89/12/490498912.db2.gz PAEMGIJFDQUQJI-ZDUSSCGKSA-N 2 2 350.467 0.624 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(C)s1 ZINC000564853164 491331529 /nfs/dbraw/zinc/33/15/29/491331529.db2.gz ZJQUPIPGBABPEB-CQSZACIVSA-N 2 2 361.533 0.688 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(C)s1 ZINC000564853164 491331531 /nfs/dbraw/zinc/33/15/31/491331531.db2.gz ZJQUPIPGBABPEB-CQSZACIVSA-N 2 2 361.533 0.688 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)n1C ZINC000564856088 491332026 /nfs/dbraw/zinc/33/20/26/491332026.db2.gz VNIRSOSOSQQDKG-ZDUSSCGKSA-N 2 2 357.414 0.233 20 0 FCADLP CC(C)[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1nncn1C ZINC000500390966 490509296 /nfs/dbraw/zinc/50/92/96/490509296.db2.gz BVMCMVJOYZEBCC-OAHLLOKOSA-N 2 2 351.499 0.837 20 0 FCADLP O=C(C1CC1)N1CC[NH+](CCCC[NH+]2CCN(C(=O)C3CC3)CC2)CC1 ZINC000535718898 490515737 /nfs/dbraw/zinc/51/57/37/490515737.db2.gz GUKHXEJODOUFCX-UHFFFAOYSA-N 2 2 362.518 0.875 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535726948 490518623 /nfs/dbraw/zinc/51/86/23/490518623.db2.gz OETCRKKKLXHWNL-SJLPKXTDSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535726948 490518627 /nfs/dbraw/zinc/51/86/27/490518627.db2.gz OETCRKKKLXHWNL-SJLPKXTDSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000423013211 490519130 /nfs/dbraw/zinc/51/91/30/490519130.db2.gz FKSHCDALRWGNDH-CABCVRRESA-N 2 2 364.515 0.836 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423013138 490519311 /nfs/dbraw/zinc/51/93/11/490519311.db2.gz FFCLABCVNGEXEK-HUUCEWRRSA-N 2 2 362.499 0.460 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)cc1 ZINC000485264847 490521254 /nfs/dbraw/zinc/52/12/54/490521254.db2.gz RWZCYWYQJORXNY-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cc1 ZINC000485264847 490521261 /nfs/dbraw/zinc/52/12/61/490521261.db2.gz RWZCYWYQJORXNY-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000485264847 490521265 /nfs/dbraw/zinc/52/12/65/490521265.db2.gz RWZCYWYQJORXNY-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@@H](CO)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000485264847 490521271 /nfs/dbraw/zinc/52/12/71/490521271.db2.gz RWZCYWYQJORXNY-SMOSDQRPSA-N 2 2 364.486 0.850 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423027399 490522539 /nfs/dbraw/zinc/52/25/39/490522539.db2.gz DGRPWLPYOMJEBZ-HNNXBMFYSA-N 2 2 374.489 0.364 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423025688 490523453 /nfs/dbraw/zinc/52/34/53/490523453.db2.gz PAVXQJCGNPDQSI-NVXWUHKLSA-N 2 2 360.458 0.015 20 0 FCADLP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000423054381 490530405 /nfs/dbraw/zinc/53/04/05/490530405.db2.gz UQXCSQBAIFHPBM-MRXNPFEDSA-N 2 2 364.877 0.934 20 0 FCADLP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000423054381 490530414 /nfs/dbraw/zinc/53/04/14/490530414.db2.gz UQXCSQBAIFHPBM-MRXNPFEDSA-N 2 2 364.877 0.934 20 0 FCADLP CN1CC[NH+]([C@H](CNC(=O)C[C@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000564889555 491334012 /nfs/dbraw/zinc/33/40/12/491334012.db2.gz BAHSAPCBWWWCJA-LSDHHAIUSA-N 2 2 352.504 0.531 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000571875538 491334217 /nfs/dbraw/zinc/33/42/17/491334217.db2.gz RMEBMALGEGFCDD-HUUCEWRRSA-N 2 2 353.463 0.279 20 0 FCADLP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000510796599 490541104 /nfs/dbraw/zinc/54/11/04/490541104.db2.gz JQABDGXHUSCVKK-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000500752292 490548515 /nfs/dbraw/zinc/54/85/15/490548515.db2.gz PBEXEPHZDDKJNT-DOTOQJQBSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000500752292 490548521 /nfs/dbraw/zinc/54/85/21/490548521.db2.gz PBEXEPHZDDKJNT-DOTOQJQBSA-N 2 2 368.522 0.545 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000485629965 490550817 /nfs/dbraw/zinc/55/08/17/490550817.db2.gz TYHGKRXJZJIVQY-UHFFFAOYSA-N 2 2 374.485 0.420 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000485629965 490550825 /nfs/dbraw/zinc/55/08/25/490550825.db2.gz TYHGKRXJZJIVQY-UHFFFAOYSA-N 2 2 374.485 0.420 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCSC1 ZINC000536070699 490551186 /nfs/dbraw/zinc/55/11/86/490551186.db2.gz QDRYHRWQZLZFTF-HNNXBMFYSA-N 2 2 354.520 0.190 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCSC1 ZINC000536070699 490551190 /nfs/dbraw/zinc/55/11/90/490551190.db2.gz QDRYHRWQZLZFTF-HNNXBMFYSA-N 2 2 354.520 0.190 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485814260 490560363 /nfs/dbraw/zinc/56/03/63/490560363.db2.gz GOSAUAVLIAWQLU-DYVFJYSZSA-N 2 2 365.503 0.424 20 0 FCADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCN(C)CC1 ZINC000524788967 490560538 /nfs/dbraw/zinc/56/05/38/490560538.db2.gz PITPKORLHOJINR-INIZCTEOSA-N 2 2 363.510 0.120 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000536228624 490562514 /nfs/dbraw/zinc/56/25/14/490562514.db2.gz VXWNXVXERQVBML-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000536227775 490562961 /nfs/dbraw/zinc/56/29/61/490562961.db2.gz QMAFSJYKPZXJQF-GOSISDBHSA-N 3 2 369.554 0.404 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536307084 490567032 /nfs/dbraw/zinc/56/70/32/490567032.db2.gz XKLGKZUYMWIUEY-ROUUACIJSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536307084 490567036 /nfs/dbraw/zinc/56/70/36/490567036.db2.gz XKLGKZUYMWIUEY-ROUUACIJSA-N 2 2 362.474 0.253 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536370294 490573494 /nfs/dbraw/zinc/57/34/94/490573494.db2.gz KRHUUUBNJIYPFJ-UHFFFAOYSA-N 2 2 356.492 0.914 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000525242823 490587734 /nfs/dbraw/zinc/58/77/34/490587734.db2.gz HKFHRQWDZHVTQS-SFHVURJKSA-N 2 2 363.506 0.858 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000549985302 490616807 /nfs/dbraw/zinc/61/68/07/490616807.db2.gz HZBCPLSKYARALQ-PBHICJAKSA-N 2 2 374.485 0.767 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000549985302 490616814 /nfs/dbraw/zinc/61/68/14/490616814.db2.gz HZBCPLSKYARALQ-PBHICJAKSA-N 2 2 374.485 0.767 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1cccc2nsnc21 ZINC000486438675 490625398 /nfs/dbraw/zinc/62/53/98/490625398.db2.gz PUILLRLIHZMWMA-GFCCVEGCSA-N 2 2 374.470 0.526 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1cccc2nsnc21 ZINC000486438675 490625404 /nfs/dbraw/zinc/62/54/04/490625404.db2.gz PUILLRLIHZMWMA-GFCCVEGCSA-N 2 2 374.470 0.526 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc21 ZINC000486444586 490626472 /nfs/dbraw/zinc/62/64/72/490626472.db2.gz XSOQUUZEJKGUKZ-QGZVFWFLSA-N 2 2 356.470 0.862 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc21 ZINC000486444586 490626476 /nfs/dbraw/zinc/62/64/76/490626476.db2.gz XSOQUUZEJKGUKZ-QGZVFWFLSA-N 2 2 356.470 0.862 20 0 FCADLP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449261 490628985 /nfs/dbraw/zinc/62/89/85/490628985.db2.gz INHOPEBIBJKUAP-GXTWGEPZSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449261 490628989 /nfs/dbraw/zinc/62/89/89/490628989.db2.gz INHOPEBIBJKUAP-GXTWGEPZSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454717 490631446 /nfs/dbraw/zinc/63/14/46/490631446.db2.gz KAWSEXJWJQPKCY-AWEZNQCLSA-N 2 2 350.488 0.569 20 0 FCADLP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486454717 490631453 /nfs/dbraw/zinc/63/14/53/490631453.db2.gz KAWSEXJWJQPKCY-AWEZNQCLSA-N 2 2 350.488 0.569 20 0 FCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460242 490633788 /nfs/dbraw/zinc/63/37/88/490633788.db2.gz MIFICLOPQKUPAS-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460242 490633796 /nfs/dbraw/zinc/63/37/96/490633796.db2.gz MIFICLOPQKUPAS-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)cc1 ZINC000486464803 490635722 /nfs/dbraw/zinc/63/57/22/490635722.db2.gz ULWDECQHEFNGKC-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)cc1 ZINC000486464803 490635724 /nfs/dbraw/zinc/63/57/24/490635724.db2.gz ULWDECQHEFNGKC-MRXNPFEDSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCOc1ccccc1 ZINC000486470262 490636534 /nfs/dbraw/zinc/63/65/34/490636534.db2.gz PPRZDVXWGGDWKE-INIZCTEOSA-N 2 2 360.458 0.078 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCOc1ccccc1 ZINC000486470262 490636541 /nfs/dbraw/zinc/63/65/41/490636541.db2.gz PPRZDVXWGGDWKE-INIZCTEOSA-N 2 2 360.458 0.078 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)CCCC[NH+]3CCOCC3)CC2)C1=O ZINC000556872207 491342012 /nfs/dbraw/zinc/34/20/12/491342012.db2.gz NLBHLBOOGHKSBG-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000550211835 490642420 /nfs/dbraw/zinc/64/24/20/490642420.db2.gz MOCHGUCVRAHLOR-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000550211835 490642425 /nfs/dbraw/zinc/64/24/25/490642425.db2.gz MOCHGUCVRAHLOR-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)C[C@@H](C)O1 ZINC000564975041 491342164 /nfs/dbraw/zinc/34/21/64/491342164.db2.gz FWLYNJIPBVYSBD-DUQPFJRNSA-N 2 2 356.507 0.756 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccccc1F ZINC000550228874 490644425 /nfs/dbraw/zinc/64/44/25/490644425.db2.gz QFPCXDIVGIXCBW-INIZCTEOSA-N 2 2 373.432 0.975 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000525882373 490645516 /nfs/dbraw/zinc/64/55/16/490645516.db2.gz OENUTLRZOXFQKZ-UHFFFAOYSA-N 2 2 370.523 0.148 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000525890696 490646896 /nfs/dbraw/zinc/64/68/96/490646896.db2.gz MLTHEXABWNJFKD-UHFFFAOYSA-N 2 2 368.503 0.974 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000512018720 490652067 /nfs/dbraw/zinc/65/20/67/490652067.db2.gz PXDQBVGSZSUHCT-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000512018720 490652073 /nfs/dbraw/zinc/65/20/73/490652073.db2.gz PXDQBVGSZSUHCT-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000572027024 491343732 /nfs/dbraw/zinc/34/37/32/491343732.db2.gz UNFMTPJOFFNQAW-MRXNPFEDSA-N 2 2 363.458 0.557 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000572027024 491343734 /nfs/dbraw/zinc/34/37/34/491343734.db2.gz UNFMTPJOFFNQAW-MRXNPFEDSA-N 2 2 363.458 0.557 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000512207869 490665526 /nfs/dbraw/zinc/66/55/26/490665526.db2.gz WWOBUYFSPLJLHN-AWEZNQCLSA-N 2 2 362.478 0.576 20 0 FCADLP CS[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1[NH+](C)C ZINC000537290181 490667004 /nfs/dbraw/zinc/66/70/04/490667004.db2.gz IIAUZKWEHRMMSX-DLBZAZTESA-N 2 2 366.531 0.901 20 0 FCADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550445795 490670542 /nfs/dbraw/zinc/67/05/42/490670542.db2.gz DUYSECVZDNRKRO-HNNXBMFYSA-N 2 2 370.457 0.736 20 0 FCADLP Cc1nnc(COCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000512316417 490673992 /nfs/dbraw/zinc/67/39/92/490673992.db2.gz VWHYHZVXVYAXNQ-UHFFFAOYSA-N 2 2 355.508 0.848 20 0 FCADLP Cc1nnc(COCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000512316417 490673996 /nfs/dbraw/zinc/67/39/96/490673996.db2.gz VWHYHZVXVYAXNQ-UHFFFAOYSA-N 2 2 355.508 0.848 20 0 FCADLP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000556952697 491344916 /nfs/dbraw/zinc/34/49/16/491344916.db2.gz LEDRHJSTZBXVDV-DLBZAZTESA-N 2 2 360.458 0.843 20 0 FCADLP CC1(C)OCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550623006 490681334 /nfs/dbraw/zinc/68/13/34/490681334.db2.gz QTIOPYMLRHGYCO-OAHLLOKOSA-N 2 2 368.503 0.691 20 0 FCADLP CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000556972297 491345821 /nfs/dbraw/zinc/34/58/21/491345821.db2.gz ZXXZUYZJOMCAKT-CYBMUJFWSA-N 2 2 352.439 0.288 20 0 FCADLP CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000556972297 491345823 /nfs/dbraw/zinc/34/58/23/491345823.db2.gz ZXXZUYZJOMCAKT-CYBMUJFWSA-N 2 2 352.439 0.288 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[NH+]1CCNC(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881444 490703212 /nfs/dbraw/zinc/70/32/12/490703212.db2.gz KZNDRROVEWPREO-UXLLHSPISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[NH+]1CCNC(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881444 490703215 /nfs/dbraw/zinc/70/32/15/490703215.db2.gz KZNDRROVEWPREO-UXLLHSPISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881444 490703218 /nfs/dbraw/zinc/70/32/18/490703218.db2.gz KZNDRROVEWPREO-UXLLHSPISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512881444 490703220 /nfs/dbraw/zinc/70/32/20/490703220.db2.gz KZNDRROVEWPREO-UXLLHSPISA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000502555619 490709347 /nfs/dbraw/zinc/70/93/47/490709347.db2.gz ANWFAMSYXZAKCH-INIZCTEOSA-N 2 2 359.536 0.686 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@@H+]3CCCOCC3)ccc2n1C ZINC000527332105 490718275 /nfs/dbraw/zinc/71/82/75/490718275.db2.gz ZRVAENJRTNNUIQ-UHFFFAOYSA-N 2 2 359.430 0.659 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@H+]3CCCOCC3)ccc2n1C ZINC000527332105 490718278 /nfs/dbraw/zinc/71/82/78/490718278.db2.gz ZRVAENJRTNNUIQ-UHFFFAOYSA-N 2 2 359.430 0.659 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538228263 490721137 /nfs/dbraw/zinc/72/11/37/490721137.db2.gz QXCSUODDRMZSPW-HZPDHXFCSA-N 2 2 353.511 0.840 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538228263 490721139 /nfs/dbraw/zinc/72/11/39/490721139.db2.gz QXCSUODDRMZSPW-HZPDHXFCSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513463360 490731205 /nfs/dbraw/zinc/73/12/05/490731205.db2.gz LUXNGGFPRTZSRT-OAHLLOKOSA-N 2 2 370.538 0.648 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513463360 490731208 /nfs/dbraw/zinc/73/12/08/490731208.db2.gz LUXNGGFPRTZSRT-OAHLLOKOSA-N 2 2 370.538 0.648 20 0 FCADLP Cc1cc(C[NH+]2CCN(C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)on1 ZINC000513485256 490734353 /nfs/dbraw/zinc/73/43/53/490734353.db2.gz OZYMYTSHEJZRHN-ZACQAIPSSA-N 2 2 352.479 0.571 20 0 FCADLP CC(C)(C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000513772559 490746141 /nfs/dbraw/zinc/74/61/41/490746141.db2.gz AERHCDOHNOKQCA-INIZCTEOSA-N 2 2 355.479 0.047 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488562372 490764626 /nfs/dbraw/zinc/76/46/26/490764626.db2.gz SDUUNZXNMOOQLC-CABCVRRESA-N 2 2 362.478 0.440 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488562372 490764631 /nfs/dbraw/zinc/76/46/31/490764631.db2.gz SDUUNZXNMOOQLC-CABCVRRESA-N 2 2 362.478 0.440 20 0 FCADLP CC1([NH+]2CCOCC2)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000527886576 490765743 /nfs/dbraw/zinc/76/57/43/490765743.db2.gz XEMATFFYKWWNQC-UHFFFAOYSA-N 2 2 366.506 0.748 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)[NH+]1CCC(C)CC1 ZINC000557120191 491353907 /nfs/dbraw/zinc/35/39/07/491353907.db2.gz CRUHDFNCBJKPFL-HNNXBMFYSA-N 2 2 356.536 0.388 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000503628293 490768370 /nfs/dbraw/zinc/76/83/70/490768370.db2.gz MNQIQLYKOIHZSU-UHFFFAOYSA-N 2 2 371.441 0.550 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000503668699 490770034 /nfs/dbraw/zinc/77/00/34/490770034.db2.gz YSDNAENHGMRWBI-UHFFFAOYSA-N 2 2 373.501 0.585 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320955 490776407 /nfs/dbraw/zinc/77/64/07/490776407.db2.gz XCMXTTJPYVUTOM-MWDXBVQZSA-N 2 2 357.495 0.026 20 0 FCADLP COC(=O)CC[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320955 490776413 /nfs/dbraw/zinc/77/64/13/490776413.db2.gz XCMXTTJPYVUTOM-MWDXBVQZSA-N 2 2 357.495 0.026 20 0 FCADLP COC(=O)CC[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320955 490776416 /nfs/dbraw/zinc/77/64/16/490776416.db2.gz XCMXTTJPYVUTOM-MWDXBVQZSA-N 2 2 357.495 0.026 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000514669139 490779562 /nfs/dbraw/zinc/77/95/62/490779562.db2.gz UIOCMJSJFBIPJN-BBWFWOEESA-N 2 2 365.522 0.997 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000514669139 490779567 /nfs/dbraw/zinc/77/95/67/490779567.db2.gz UIOCMJSJFBIPJN-BBWFWOEESA-N 2 2 365.522 0.997 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000539474364 490784629 /nfs/dbraw/zinc/78/46/29/490784629.db2.gz WRXCYTNXYBERLJ-SFHVURJKSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000539474364 490784632 /nfs/dbraw/zinc/78/46/32/490784632.db2.gz WRXCYTNXYBERLJ-SFHVURJKSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000539474364 490784634 /nfs/dbraw/zinc/78/46/34/490784634.db2.gz WRXCYTNXYBERLJ-SFHVURJKSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H]3CCNC3=O)CC2)cc1 ZINC000539474364 490784637 /nfs/dbraw/zinc/78/46/37/490784637.db2.gz WRXCYTNXYBERLJ-SFHVURJKSA-N 2 2 374.485 0.550 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557135785 491356037 /nfs/dbraw/zinc/35/60/37/491356037.db2.gz ZHSGSHMPXMUGOY-ULQDDVLXSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557135785 491356039 /nfs/dbraw/zinc/35/60/39/491356039.db2.gz ZHSGSHMPXMUGOY-ULQDDVLXSA-N 2 2 368.522 0.448 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000514854826 490793032 /nfs/dbraw/zinc/79/30/32/490793032.db2.gz UUGVYMRLJBZABB-MRXNPFEDSA-N 2 2 374.485 0.537 20 0 FCADLP C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000557139926 491356494 /nfs/dbraw/zinc/35/64/94/491356494.db2.gz SUMIGQPNFOGFCC-HNNXBMFYSA-N 2 2 360.462 0.124 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000565178565 491358024 /nfs/dbraw/zinc/35/80/24/491358024.db2.gz JHEFRVLTIZTTFU-GVDBMIGSSA-N 2 2 368.522 0.306 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000565178583 491358079 /nfs/dbraw/zinc/35/80/79/491358079.db2.gz JHEFRVLTIZTTFU-YESZJQIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000565187556 491358455 /nfs/dbraw/zinc/35/84/55/491358455.db2.gz CRTVHIDQRZVCAT-INIZCTEOSA-N 2 2 374.489 0.302 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+]1CC(C)C1 ZINC000565187556 491358456 /nfs/dbraw/zinc/35/84/56/491358456.db2.gz CRTVHIDQRZVCAT-INIZCTEOSA-N 2 2 374.489 0.302 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](c3[nH+]ccn3C)C1)CC[NH2+]CC2 ZINC000515637701 490834096 /nfs/dbraw/zinc/83/40/96/490834096.db2.gz SLFRRUAQTZRFJU-LSDHHAIUSA-N 2 2 359.474 0.727 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)CC(C)C ZINC000505825546 490841379 /nfs/dbraw/zinc/84/13/79/490841379.db2.gz PIHLXCVKAIUFNB-INIZCTEOSA-N 2 2 361.552 0.932 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)CC(C)C ZINC000505825546 490841382 /nfs/dbraw/zinc/84/13/82/490841382.db2.gz PIHLXCVKAIUFNB-INIZCTEOSA-N 2 2 361.552 0.932 20 0 FCADLP COC1(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000557238596 491361275 /nfs/dbraw/zinc/36/12/75/491361275.db2.gz OZOCFOIVCCMCBD-UHFFFAOYSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014002 490847625 /nfs/dbraw/zinc/84/76/25/490847625.db2.gz WQLLFKBBCBQOID-AEFFLSMTSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014002 490847627 /nfs/dbraw/zinc/84/76/27/490847627.db2.gz WQLLFKBBCBQOID-AEFFLSMTSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[NH+]1CCSCC1 ZINC000516109449 490851689 /nfs/dbraw/zinc/85/16/89/490851689.db2.gz HUDPIVAHESMUKR-DZGCQCFKSA-N 2 2 354.520 0.235 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCc3ccsc3)CC2)CC1 ZINC000541160316 490853681 /nfs/dbraw/zinc/85/36/81/490853681.db2.gz DVZRQVZVPGCMLR-UHFFFAOYSA-N 2 2 372.560 0.791 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CCOCC1 ZINC000529331631 490854249 /nfs/dbraw/zinc/85/42/49/490854249.db2.gz SVZKWOPCIWZHIF-LSDHHAIUSA-N 2 2 351.451 0.658 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000516175626 490854716 /nfs/dbraw/zinc/85/47/16/490854716.db2.gz QPVRNZGWLINEMM-VBQJREDUSA-N 2 2 353.438 0.615 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529356321 490856383 /nfs/dbraw/zinc/85/63/83/490856383.db2.gz IUQYIXIIEKJYDU-AWEZNQCLSA-N 2 2 370.461 0.480 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000516554237 490867538 /nfs/dbraw/zinc/86/75/38/490867538.db2.gz HOJCTLOMIZLCDQ-NVXWUHKLSA-N 2 2 356.536 0.883 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000565238283 491363151 /nfs/dbraw/zinc/36/31/51/491363151.db2.gz GCDWMKIVEZMSFN-ROUUACIJSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000565238283 491363153 /nfs/dbraw/zinc/36/31/53/491363153.db2.gz GCDWMKIVEZMSFN-ROUUACIJSA-N 2 2 374.485 0.472 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000572261738 491359237 /nfs/dbraw/zinc/35/92/37/491359237.db2.gz DSBSBWHBCUALNK-SJPCQFCGSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000572261738 491359240 /nfs/dbraw/zinc/35/92/40/491359240.db2.gz DSBSBWHBCUALNK-SJPCQFCGSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000572261738 491359242 /nfs/dbraw/zinc/35/92/42/491359242.db2.gz DSBSBWHBCUALNK-SJPCQFCGSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000572261738 491359245 /nfs/dbraw/zinc/35/92/45/491359245.db2.gz DSBSBWHBCUALNK-SJPCQFCGSA-N 2 2 368.522 0.545 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923893 490884773 /nfs/dbraw/zinc/88/47/73/490884773.db2.gz ALVSBCFNZBZWNX-SFHVURJKSA-N 2 2 367.538 0.960 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923893 490884775 /nfs/dbraw/zinc/88/47/75/490884775.db2.gz ALVSBCFNZBZWNX-SFHVURJKSA-N 2 2 367.538 0.960 20 0 FCADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923893 490884777 /nfs/dbraw/zinc/88/47/77/490884777.db2.gz ALVSBCFNZBZWNX-SFHVURJKSA-N 2 2 367.538 0.960 20 0 FCADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCNC(=O)NC(C)C)C2)CC1 ZINC000516923893 490884778 /nfs/dbraw/zinc/88/47/78/490884778.db2.gz ALVSBCFNZBZWNX-SFHVURJKSA-N 2 2 367.538 0.960 20 0 FCADLP O=C1NC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1=O ZINC000517016033 490891008 /nfs/dbraw/zinc/89/10/08/490891008.db2.gz QUUOOVBNLNKUGI-GOSISDBHSA-N 2 2 356.470 0.815 20 0 FCADLP O=C1NC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1=O ZINC000517016033 490891011 /nfs/dbraw/zinc/89/10/11/490891011.db2.gz QUUOOVBNLNKUGI-GOSISDBHSA-N 2 2 356.470 0.815 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030230 490891951 /nfs/dbraw/zinc/89/19/51/490891951.db2.gz KLPUZAMHIUHINQ-QWHCGFSZSA-N 2 2 360.414 0.647 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030230 490891953 /nfs/dbraw/zinc/89/19/53/490891953.db2.gz KLPUZAMHIUHINQ-QWHCGFSZSA-N 2 2 360.414 0.647 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243395 490895214 /nfs/dbraw/zinc/89/52/14/490895214.db2.gz XSUBYMOWFIUEMG-SJLPKXTDSA-N 3 2 352.523 0.630 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[N@H+]3CC=CCC3)nc2)CC1 ZINC000530377754 490902862 /nfs/dbraw/zinc/90/28/62/490902862.db2.gz KSMWLUQVCDHCCT-UHFFFAOYSA-N 2 2 365.503 0.692 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCC[N@@H+]3CC=CCC3)nc2)CC1 ZINC000530377754 490902865 /nfs/dbraw/zinc/90/28/65/490902865.db2.gz KSMWLUQVCDHCCT-UHFFFAOYSA-N 2 2 365.503 0.692 20 0 FCADLP CCOCC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000517322151 490903836 /nfs/dbraw/zinc/90/38/36/490903836.db2.gz OTYJLKFPZMIYRJ-OKYOBFRVSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000517322151 490903839 /nfs/dbraw/zinc/90/38/39/490903839.db2.gz OTYJLKFPZMIYRJ-OKYOBFRVSA-N 2 2 357.539 0.889 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000572283984 491360622 /nfs/dbraw/zinc/36/06/22/491360622.db2.gz LWHJCFVGRHZUGR-MRXNPFEDSA-N 2 2 357.414 0.630 20 0 FCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000517435082 490908958 /nfs/dbraw/zinc/90/89/58/490908958.db2.gz JEVUURPPDHGXIJ-CQSZACIVSA-N 2 2 359.430 0.498 20 0 FCADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cs1 ZINC000517540504 490910969 /nfs/dbraw/zinc/91/09/69/490910969.db2.gz ZGXOULFMNKAQIT-MRXNPFEDSA-N 2 2 366.535 0.572 20 0 FCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cs1 ZINC000517540504 490910971 /nfs/dbraw/zinc/91/09/71/490910971.db2.gz ZGXOULFMNKAQIT-MRXNPFEDSA-N 2 2 366.535 0.572 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000517718315 490917529 /nfs/dbraw/zinc/91/75/29/490917529.db2.gz HRMJZLXHWKXHIY-MRXNPFEDSA-N 2 2 361.494 0.369 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000517766890 490920668 /nfs/dbraw/zinc/92/06/68/490920668.db2.gz JHZRBOVIRYLZST-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000517783996 490921093 /nfs/dbraw/zinc/92/10/93/490921093.db2.gz FYOFDKWANSQLIO-FUHWJXTLSA-N 2 2 352.523 0.460 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000517783996 490921094 /nfs/dbraw/zinc/92/10/94/490921094.db2.gz FYOFDKWANSQLIO-FUHWJXTLSA-N 2 2 352.523 0.460 20 0 FCADLP NC(=O)c1ccc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)nc1 ZINC000517941787 490925204 /nfs/dbraw/zinc/92/52/04/490925204.db2.gz AVECMRDIUPFTBY-ROUUACIJSA-N 2 2 369.469 0.233 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905604 490931214 /nfs/dbraw/zinc/93/12/14/490931214.db2.gz PGVKFODBFCAYLZ-GJZGRUSLSA-N 2 2 362.540 0.189 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905604 490931217 /nfs/dbraw/zinc/93/12/17/490931217.db2.gz PGVKFODBFCAYLZ-GJZGRUSLSA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905604 490931220 /nfs/dbraw/zinc/93/12/20/490931220.db2.gz PGVKFODBFCAYLZ-GJZGRUSLSA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1C ZINC000530905604 490931223 /nfs/dbraw/zinc/93/12/23/490931223.db2.gz PGVKFODBFCAYLZ-GJZGRUSLSA-N 2 2 362.540 0.189 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000518575264 490945943 /nfs/dbraw/zinc/94/59/43/490945943.db2.gz OOASCZBUXZELSL-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000518575264 490945945 /nfs/dbraw/zinc/94/59/45/490945945.db2.gz OOASCZBUXZELSL-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000518767483 490950367 /nfs/dbraw/zinc/95/03/67/490950367.db2.gz NEGBEOCQHRZUPA-SFHVURJKSA-N 2 2 373.501 0.217 20 0 FCADLP C[N@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000518767483 490950370 /nfs/dbraw/zinc/95/03/70/490950370.db2.gz NEGBEOCQHRZUPA-SFHVURJKSA-N 2 2 373.501 0.217 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000518767481 490950575 /nfs/dbraw/zinc/95/05/75/490950575.db2.gz NEGBEOCQHRZUPA-GOSISDBHSA-N 2 2 373.501 0.217 20 0 FCADLP C[N@H+]1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000518767481 490950577 /nfs/dbraw/zinc/95/05/77/490950577.db2.gz NEGBEOCQHRZUPA-GOSISDBHSA-N 2 2 373.501 0.217 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000572384739 491366724 /nfs/dbraw/zinc/36/67/24/491366724.db2.gz MIUIDMNDTWRSAV-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000572384739 491366725 /nfs/dbraw/zinc/36/67/25/491366725.db2.gz MIUIDMNDTWRSAV-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP COCCOC1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000544243703 490962755 /nfs/dbraw/zinc/96/27/55/490962755.db2.gz SCRCBDSNJBZYIO-UHFFFAOYSA-N 2 2 354.495 0.602 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531678360 490970186 /nfs/dbraw/zinc/97/01/86/490970186.db2.gz CEWYLYOEDVGQES-ZACQAIPSSA-N 2 2 353.511 0.175 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531678360 490970189 /nfs/dbraw/zinc/97/01/89/490970189.db2.gz CEWYLYOEDVGQES-ZACQAIPSSA-N 2 2 353.511 0.175 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000572399215 491367569 /nfs/dbraw/zinc/36/75/69/491367569.db2.gz XRZQDNMZGRVJDN-SJORKVTESA-N 2 2 360.458 0.044 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744595 490987992 /nfs/dbraw/zinc/98/79/92/490987992.db2.gz NCCWHHXDBUZRTI-XYJFISCASA-N 2 2 366.506 0.296 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744595 490987994 /nfs/dbraw/zinc/98/79/94/490987994.db2.gz NCCWHHXDBUZRTI-XYJFISCASA-N 2 2 366.506 0.296 20 0 FCADLP CN(C)C(=O)NCCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000572409798 491368177 /nfs/dbraw/zinc/36/81/77/491368177.db2.gz BZSXJOGOZYTPIO-KRWDZBQOSA-N 2 2 372.473 0.531 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1C ZINC000602009506 491956888 /nfs/dbraw/zinc/95/68/88/491956888.db2.gz WWBWNXTWIYLGGO-OAHLLOKOSA-N 2 2 350.463 0.308 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000562478598 491168941 /nfs/dbraw/zinc/16/89/41/491168941.db2.gz KUKIZDAERKCOKJ-AWEZNQCLSA-N 2 2 361.533 0.803 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000562478598 491168945 /nfs/dbraw/zinc/16/89/45/491168945.db2.gz KUKIZDAERKCOKJ-AWEZNQCLSA-N 2 2 361.533 0.803 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000562478605 491169215 /nfs/dbraw/zinc/16/92/15/491169215.db2.gz KUKIZDAERKCOKJ-CQSZACIVSA-N 2 2 361.533 0.803 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000562478605 491169219 /nfs/dbraw/zinc/16/92/19/491169219.db2.gz KUKIZDAERKCOKJ-CQSZACIVSA-N 2 2 361.533 0.803 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673494263 493335689 /nfs/dbraw/zinc/33/56/89/493335689.db2.gz WMFCUHQPGRILIF-HOCLYGCPSA-N 2 2 368.547 0.483 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673494263 493335693 /nfs/dbraw/zinc/33/56/93/493335693.db2.gz WMFCUHQPGRILIF-HOCLYGCPSA-N 2 2 368.547 0.483 20 0 FCADLP C[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000569674448 491180520 /nfs/dbraw/zinc/18/05/20/491180520.db2.gz PXACSTURFXIZFC-HUUCEWRRSA-N 2 2 374.489 0.918 20 0 FCADLP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000569739883 491187899 /nfs/dbraw/zinc/18/78/99/491187899.db2.gz LLFLXLHEADOOAW-LJQANCHMSA-N 2 2 368.485 0.944 20 0 FCADLP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000569739883 491187901 /nfs/dbraw/zinc/18/79/01/491187901.db2.gz LLFLXLHEADOOAW-LJQANCHMSA-N 2 2 368.485 0.944 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CCCO1 ZINC000554253989 491188862 /nfs/dbraw/zinc/18/88/62/491188862.db2.gz NQVZWXPSUXKRTN-SFHVURJKSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CCCO1 ZINC000554253989 491188865 /nfs/dbraw/zinc/18/88/65/491188865.db2.gz NQVZWXPSUXKRTN-SFHVURJKSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@]1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000565410648 491374951 /nfs/dbraw/zinc/37/49/51/491374951.db2.gz QSCICQCJZQVNIU-QGZVFWFLSA-N 2 2 350.467 0.727 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000565436110 491376258 /nfs/dbraw/zinc/37/62/58/491376258.db2.gz IJQVXQPQODJVJK-RHSMWYFYSA-N 2 2 358.442 0.662 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000565436110 491376260 /nfs/dbraw/zinc/37/62/60/491376260.db2.gz IJQVXQPQODJVJK-RHSMWYFYSA-N 2 2 358.442 0.662 20 0 FCADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)n1C ZINC000572542745 491377791 /nfs/dbraw/zinc/37/77/91/491377791.db2.gz LRGSVXGEXNYPDS-UHFFFAOYSA-N 2 2 352.460 0.631 20 0 FCADLP COc1ccc(CCNC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000572613978 491381493 /nfs/dbraw/zinc/38/14/93/491381493.db2.gz SRDBGZFZTUDXHY-UHFFFAOYSA-N 2 2 373.457 0.908 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000557553737 491382206 /nfs/dbraw/zinc/38/22/06/491382206.db2.gz CMBVQGAYYDWKFR-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000557553737 491382208 /nfs/dbraw/zinc/38/22/08/491382208.db2.gz CMBVQGAYYDWKFR-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000565651431 491390941 /nfs/dbraw/zinc/39/09/41/491390941.db2.gz DIVXTTRFNNFYEO-JKSUJKDBSA-N 3 2 367.519 0.250 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000557705660 491392433 /nfs/dbraw/zinc/39/24/33/491392433.db2.gz QEYPNKVGAFBDLZ-CVEARBPZSA-N 2 2 356.511 0.258 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000557706424 491392877 /nfs/dbraw/zinc/39/28/77/491392877.db2.gz GJRUXGXYRQDJSP-YQQAZPJKSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000557706424 491392878 /nfs/dbraw/zinc/39/28/78/491392878.db2.gz GJRUXGXYRQDJSP-YQQAZPJKSA-N 2 2 366.506 0.345 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc2)CC1 ZINC000565706095 491394109 /nfs/dbraw/zinc/39/41/09/491394109.db2.gz YPPMJJMBTNLMLA-UHFFFAOYSA-N 2 2 361.490 0.570 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557751897 491395974 /nfs/dbraw/zinc/39/59/74/491395974.db2.gz WYKZDQRLHIAOFU-INIZCTEOSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557751897 491395976 /nfs/dbraw/zinc/39/59/76/491395976.db2.gz WYKZDQRLHIAOFU-INIZCTEOSA-N 2 2 371.485 0.863 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000572842697 491396827 /nfs/dbraw/zinc/39/68/27/491396827.db2.gz TWCMWCDVIQMZGF-AWEZNQCLSA-N 2 2 353.488 0.833 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000572952667 491403446 /nfs/dbraw/zinc/40/34/46/491403446.db2.gz CKOBFYLROBOTNG-XHSDSOJGSA-N 2 2 351.495 0.607 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000572952667 491403449 /nfs/dbraw/zinc/40/34/49/491403449.db2.gz CKOBFYLROBOTNG-XHSDSOJGSA-N 2 2 351.495 0.607 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000565912662 491406985 /nfs/dbraw/zinc/40/69/85/491406985.db2.gz NLOUUJWJWFLBFE-MRXNPFEDSA-N 2 2 362.478 0.677 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000565913242 491407324 /nfs/dbraw/zinc/40/73/24/491407324.db2.gz ZRKXAIZXUXSVEC-SFHVURJKSA-N 2 2 370.563 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000565913242 491407325 /nfs/dbraw/zinc/40/73/25/491407325.db2.gz ZRKXAIZXUXSVEC-SFHVURJKSA-N 2 2 370.563 0.873 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000565971969 491410184 /nfs/dbraw/zinc/41/01/84/491410184.db2.gz JTVZTFIJQJWMHH-HOTGVXAUSA-N 2 2 361.490 0.985 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000565971969 491410187 /nfs/dbraw/zinc/41/01/87/491410187.db2.gz JTVZTFIJQJWMHH-HOTGVXAUSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)N1CC[NH+](C)CC1 ZINC000558042383 491410195 /nfs/dbraw/zinc/41/01/95/491410195.db2.gz OXNBRAJHPXFKGH-MRXNPFEDSA-N 2 2 359.478 0.281 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000565971971 491410379 /nfs/dbraw/zinc/41/03/79/491410379.db2.gz JTVZTFIJQJWMHH-HZPDHXFCSA-N 2 2 361.490 0.985 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000565971971 491410381 /nfs/dbraw/zinc/41/03/81/491410381.db2.gz JTVZTFIJQJWMHH-HZPDHXFCSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H](C)[NH2+]1 ZINC000566090216 491416642 /nfs/dbraw/zinc/41/66/42/491416642.db2.gz OKVDDQVDOGOUPH-OKILXGFUSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)C[C@@H](C)O1 ZINC000566106379 491417705 /nfs/dbraw/zinc/41/77/05/491417705.db2.gz NZRCLHMAEXEGMO-JFIYKMOQSA-N 2 2 364.490 0.478 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000558199193 491419047 /nfs/dbraw/zinc/41/90/47/491419047.db2.gz ZSEWRVPPUGAJGP-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000558199193 491419048 /nfs/dbraw/zinc/41/90/48/491419048.db2.gz ZSEWRVPPUGAJGP-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000566132419 491419512 /nfs/dbraw/zinc/41/95/12/491419512.db2.gz XAAHODWTEDRBBU-IMSKVBIZSA-N 2 2 352.479 0.557 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000566132419 491419513 /nfs/dbraw/zinc/41/95/13/491419513.db2.gz XAAHODWTEDRBBU-IMSKVBIZSA-N 2 2 352.479 0.557 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558229479 491421284 /nfs/dbraw/zinc/42/12/84/491421284.db2.gz CPLCYUOHLRSZES-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558229479 491421286 /nfs/dbraw/zinc/42/12/86/491421286.db2.gz CPLCYUOHLRSZES-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000573271711 491423459 /nfs/dbraw/zinc/42/34/59/491423459.db2.gz XTIDUPAGHLAWPF-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H]1n1cc[nH+]c1 ZINC000558374461 491427976 /nfs/dbraw/zinc/42/79/76/491427976.db2.gz ZSTJNMRJENFACO-QLFBSQMISA-N 2 2 356.430 0.620 20 0 FCADLP Cc1nccnc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371366 493342423 /nfs/dbraw/zinc/34/24/23/493342423.db2.gz OZAOQMVENLBPRF-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000573407792 491431550 /nfs/dbraw/zinc/43/15/50/491431550.db2.gz FRJYIAOTQHRNMH-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000573407792 491431552 /nfs/dbraw/zinc/43/15/52/491431552.db2.gz FRJYIAOTQHRNMH-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000573407792 491431553 /nfs/dbraw/zinc/43/15/53/491431553.db2.gz FRJYIAOTQHRNMH-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000573407792 491431554 /nfs/dbraw/zinc/43/15/54/491431554.db2.gz FRJYIAOTQHRNMH-MRXNPFEDSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000573429384 491432433 /nfs/dbraw/zinc/43/24/33/491432433.db2.gz CGXBNIZGXJDSKS-KBXCAEBGSA-N 2 2 351.495 0.370 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000566289281 491433155 /nfs/dbraw/zinc/43/31/55/491433155.db2.gz SVHPWRAQAOXRRL-IBGZPJMESA-N 3 2 370.501 0.213 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000566368124 491439617 /nfs/dbraw/zinc/43/96/17/491439617.db2.gz RPJPKXAXUVRBHR-JKSUJKDBSA-N 2 2 373.432 0.872 20 0 FCADLP C[C@@H]1CN(C(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)C[C@@]1(C)C[NH3+] ZINC000573668695 491447093 /nfs/dbraw/zinc/44/70/93/491447093.db2.gz DXCZBBGFRVRAMB-QWQRMKEZSA-N 2 2 361.494 0.602 20 0 FCADLP C[C@@H]1CN(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)C[C@@]1(C)C[NH3+] ZINC000573668695 491447096 /nfs/dbraw/zinc/44/70/96/491447096.db2.gz DXCZBBGFRVRAMB-QWQRMKEZSA-N 2 2 361.494 0.602 20 0 FCADLP O=C(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566664759 491458789 /nfs/dbraw/zinc/45/87/89/491458789.db2.gz BRSHDXCXCXBLJQ-DOTOQJQBSA-N 2 2 358.442 0.758 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccc(OCC(N)=O)c2)C[C@@H](C)O1 ZINC000566673243 491459276 /nfs/dbraw/zinc/45/92/76/491459276.db2.gz FKFCRIVFRYPJBE-FMKPAKJESA-N 2 2 351.447 0.110 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000566668687 491459315 /nfs/dbraw/zinc/45/93/15/491459315.db2.gz VPYJNURTPSLPMD-KRWDZBQOSA-N 2 2 372.473 0.540 20 0 FCADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000566732525 491463267 /nfs/dbraw/zinc/46/32/67/491463267.db2.gz ATBXAVQLZLQCJG-SJORKVTESA-N 2 2 365.474 0.438 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000559449471 491474452 /nfs/dbraw/zinc/47/44/52/491474452.db2.gz UKYPSSFIYRKWOE-UHFFFAOYSA-N 2 2 374.485 0.299 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000559462453 491475636 /nfs/dbraw/zinc/47/56/36/491475636.db2.gz DNACIFUWJYKFLQ-UHFFFAOYSA-N 2 2 357.458 0.984 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000559507112 491478293 /nfs/dbraw/zinc/47/82/93/491478293.db2.gz JOLHRZWFAIYIDL-HOTGVXAUSA-N 2 2 370.538 0.789 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000559528563 491479388 /nfs/dbraw/zinc/47/93/88/491479388.db2.gz YAOYMHNVSHKOOF-MRXNPFEDSA-N 2 2 373.432 0.975 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559562222 491481635 /nfs/dbraw/zinc/48/16/35/491481635.db2.gz PULPKOKWBMINSR-MRXNPFEDSA-N 2 2 355.442 0.690 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CCN2C1=O ZINC000574340627 491490269 /nfs/dbraw/zinc/49/02/69/491490269.db2.gz NDXPCHJFPCSDSJ-HZPDHXFCSA-N 2 2 354.414 0.326 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000559701179 491492529 /nfs/dbraw/zinc/49/25/29/491492529.db2.gz SHUNYXIMSUUBOF-UHFFFAOYSA-N 2 2 355.442 0.712 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000567223023 491492924 /nfs/dbraw/zinc/49/29/24/491492924.db2.gz SFVBUIZEVMBDEP-KCYZZUKISA-N 2 2 363.506 0.369 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574396241 491493143 /nfs/dbraw/zinc/49/31/43/491493143.db2.gz OGSUTNZPZFTCHP-OAHLLOKOSA-N 2 2 355.446 0.955 20 0 FCADLP [NH3+]C[C@H](CN1CC[NH+](CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000574403442 491493807 /nfs/dbraw/zinc/49/38/07/491493807.db2.gz CXGPTUBBUNOPQE-QGZVFWFLSA-N 2 2 364.465 0.344 20 0 FCADLP [NH3+]C[C@H](C[NH+]1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000574403442 491493809 /nfs/dbraw/zinc/49/38/09/491493809.db2.gz CXGPTUBBUNOPQE-QGZVFWFLSA-N 2 2 364.465 0.344 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559743370 491495101 /nfs/dbraw/zinc/49/51/01/491495101.db2.gz MLTXEDNLGKDVPK-UHFFFAOYSA-N 2 2 358.446 0.590 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524430 491502698 /nfs/dbraw/zinc/50/26/98/491502698.db2.gz AEARCUXCOKTODD-DLBZAZTESA-N 2 2 361.490 0.877 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524430 491502699 /nfs/dbraw/zinc/50/26/99/491502699.db2.gz AEARCUXCOKTODD-DLBZAZTESA-N 2 2 361.490 0.877 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572269 491505958 /nfs/dbraw/zinc/50/59/58/491505958.db2.gz MBPIDYHOKSNZTD-JKSUJKDBSA-N 2 2 363.458 0.356 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572269 491505961 /nfs/dbraw/zinc/50/59/61/491505961.db2.gz MBPIDYHOKSNZTD-JKSUJKDBSA-N 2 2 363.458 0.356 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559930464 491511099 /nfs/dbraw/zinc/51/10/99/491511099.db2.gz CTVSNLOWAYUZFK-UHFFFAOYSA-N 2 2 358.446 0.623 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000574667910 491512477 /nfs/dbraw/zinc/51/24/77/491512477.db2.gz VLIQFFXGLYNGMZ-HOTGVXAUSA-N 2 2 351.495 0.324 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000559968577 491513025 /nfs/dbraw/zinc/51/30/25/491513025.db2.gz KJRLXEQRFQPXJS-AWEZNQCLSA-N 2 2 351.451 0.005 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000574742240 491517106 /nfs/dbraw/zinc/51/71/06/491517106.db2.gz ZIQJVFBZUWLXHS-ZBFHGGJFSA-N 2 2 351.495 0.228 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813241 491521946 /nfs/dbraw/zinc/52/19/46/491521946.db2.gz VOYCTTIDOKDWNS-CABCVRRESA-N 2 2 362.499 0.574 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813241 491521947 /nfs/dbraw/zinc/52/19/47/491521947.db2.gz VOYCTTIDOKDWNS-CABCVRRESA-N 2 2 362.499 0.574 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000567802106 491530630 /nfs/dbraw/zinc/53/06/30/491530630.db2.gz XIRWMXBJFQFNTI-ULQDDVLXSA-N 2 2 366.506 0.012 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000574974442 491531322 /nfs/dbraw/zinc/53/13/22/491531322.db2.gz LEOYZWIGRHGUPI-WBVHZDCISA-N 2 2 366.506 0.156 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000567817524 491531647 /nfs/dbraw/zinc/53/16/47/491531647.db2.gz YUCMQQIWZQTYBJ-MRXNPFEDSA-N 2 2 355.442 0.610 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000574998953 491532713 /nfs/dbraw/zinc/53/27/13/491532713.db2.gz DNNPTXISEJSDDZ-SNVBAGLBSA-N 2 2 358.402 0.272 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000574998953 491532714 /nfs/dbraw/zinc/53/27/14/491532714.db2.gz DNNPTXISEJSDDZ-SNVBAGLBSA-N 2 2 358.402 0.272 20 0 FCADLP COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000567891172 491538885 /nfs/dbraw/zinc/53/88/85/491538885.db2.gz JANNBSHXMAGHAU-UHFFFAOYSA-N 2 2 361.450 0.017 20 0 FCADLP COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000567891172 491538889 /nfs/dbraw/zinc/53/88/89/491538889.db2.gz JANNBSHXMAGHAU-UHFFFAOYSA-N 2 2 361.450 0.017 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2c(C)noc2C)C1 ZINC000575121357 491540638 /nfs/dbraw/zinc/54/06/38/491540638.db2.gz MLKGGQAAGMAYOS-RZLSGREXSA-N 2 2 354.426 0.697 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2c(C)noc2C)C1 ZINC000575121357 491540639 /nfs/dbraw/zinc/54/06/39/491540639.db2.gz MLKGGQAAGMAYOS-RZLSGREXSA-N 2 2 354.426 0.697 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192767 491544611 /nfs/dbraw/zinc/54/46/11/491544611.db2.gz MLTFUEXTCRHIKM-HZPDHXFCSA-N 2 2 359.474 0.849 20 0 FCADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000567979891 491544761 /nfs/dbraw/zinc/54/47/61/491544761.db2.gz BHBBYNNPZWOEKO-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000560562956 491545042 /nfs/dbraw/zinc/54/50/42/491545042.db2.gz BJGQJJRCJGNDSW-WCVJEAGWSA-N 2 2 356.511 0.303 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000568062347 491551278 /nfs/dbraw/zinc/55/12/78/491551278.db2.gz YCYHPIILWWHLHQ-QGZVFWFLSA-N 2 2 373.501 0.954 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000560668872 491551444 /nfs/dbraw/zinc/55/14/44/491551444.db2.gz ANGCFMNLTFAHJM-AWEZNQCLSA-N 2 2 352.504 0.849 20 0 FCADLP CSC1(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[NH+](C)CC1 ZINC000575378605 491551846 /nfs/dbraw/zinc/55/18/46/491551846.db2.gz ZFTURHSYYSCSAO-OAHLLOKOSA-N 2 2 357.568 0.749 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000568086465 491552538 /nfs/dbraw/zinc/55/25/38/491552538.db2.gz ZOWDPMIIHALJCS-GOEBONIOSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000568086465 491552540 /nfs/dbraw/zinc/55/25/40/491552540.db2.gz ZOWDPMIIHALJCS-GOEBONIOSA-N 2 2 351.495 0.452 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000568093367 491552796 /nfs/dbraw/zinc/55/27/96/491552796.db2.gz PHIDKJFXCDCONN-GASCZTMLSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000568093367 491552798 /nfs/dbraw/zinc/55/27/98/491552798.db2.gz PHIDKJFXCDCONN-GASCZTMLSA-N 2 2 354.495 0.141 20 0 FCADLP CC(CC[NH+]1CCSC[C@H]1C(N)=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000560709760 491552962 /nfs/dbraw/zinc/55/29/62/491552962.db2.gz MMIDUAYCWBZRCP-KBPBESRZSA-N 2 2 374.576 0.208 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C(C)C)cc1 ZINC000575430846 491554413 /nfs/dbraw/zinc/55/44/13/491554413.db2.gz LSVOTZUGBYQAKR-KVSKMBFKSA-N 2 2 374.485 0.752 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C(C)C)cc1 ZINC000575430846 491554415 /nfs/dbraw/zinc/55/44/15/491554415.db2.gz LSVOTZUGBYQAKR-KVSKMBFKSA-N 2 2 374.485 0.752 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164778 491556801 /nfs/dbraw/zinc/55/68/01/491556801.db2.gz ZYORNBKUTBLHAU-IAGOWNOFSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164778 491556804 /nfs/dbraw/zinc/55/68/04/491556804.db2.gz ZYORNBKUTBLHAU-IAGOWNOFSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164778 491556805 /nfs/dbraw/zinc/55/68/05/491556805.db2.gz ZYORNBKUTBLHAU-IAGOWNOFSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164778 491556808 /nfs/dbraw/zinc/55/68/08/491556808.db2.gz ZYORNBKUTBLHAU-IAGOWNOFSA-N 2 2 364.490 0.980 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000560778785 491557287 /nfs/dbraw/zinc/55/72/87/491557287.db2.gz XTEAFAMQDSGUQU-HOTGVXAUSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000560778785 491557290 /nfs/dbraw/zinc/55/72/90/491557290.db2.gz XTEAFAMQDSGUQU-HOTGVXAUSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000575783865 491560789 /nfs/dbraw/zinc/56/07/89/491560789.db2.gz LFUDMMQZQOPFBL-OWCLPIDISA-N 2 2 363.458 0.723 20 0 FCADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000575783865 491560790 /nfs/dbraw/zinc/56/07/90/491560790.db2.gz LFUDMMQZQOPFBL-OWCLPIDISA-N 2 2 363.458 0.723 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267339 491564712 /nfs/dbraw/zinc/56/47/12/491564712.db2.gz FBEWGEUOZGZMKG-QZTJIDSGSA-N 2 2 370.497 0.858 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000568267339 491564713 /nfs/dbraw/zinc/56/47/13/491564713.db2.gz FBEWGEUOZGZMKG-QZTJIDSGSA-N 2 2 370.497 0.858 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000575898515 491568853 /nfs/dbraw/zinc/56/88/53/491568853.db2.gz DTMLNKJMILMCNB-MSOLQXFVSA-N 2 2 362.474 0.738 20 0 FCADLP Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cccc1S(=O)(=O)N(C)C ZINC000561034472 491571441 /nfs/dbraw/zinc/57/14/41/491571441.db2.gz HTUVGOGMLMHTQQ-ZDUSSCGKSA-N 2 2 369.491 0.352 20 0 FCADLP O=C(NCCn1cc[nH+]c1)c1ccc(C(=O)NCCn2cc[nH+]c2)nc1 ZINC000575948258 491572346 /nfs/dbraw/zinc/57/23/46/491572346.db2.gz GSYFBZPCDFBHPA-UHFFFAOYSA-N 2 2 353.386 0.335 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)[C@H](C[NH3+])C1 ZINC000561173919 491580093 /nfs/dbraw/zinc/58/00/93/491580093.db2.gz FPSRORDVCWTMHG-MRXNPFEDSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)[C@H](C[NH3+])C1 ZINC000561173919 491580094 /nfs/dbraw/zinc/58/00/94/491580094.db2.gz FPSRORDVCWTMHG-MRXNPFEDSA-N 2 2 351.495 0.452 20 0 FCADLP C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561198545 491582693 /nfs/dbraw/zinc/58/26/93/491582693.db2.gz UIEYXHZPXOGLPJ-DOTOQJQBSA-N 2 2 361.490 0.833 20 0 FCADLP C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561198545 491582694 /nfs/dbraw/zinc/58/26/94/491582694.db2.gz UIEYXHZPXOGLPJ-DOTOQJQBSA-N 2 2 361.490 0.833 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000561218601 491585003 /nfs/dbraw/zinc/58/50/03/491585003.db2.gz GFOHPVWWAQNWQD-PIIMJCKOSA-N 2 2 360.458 0.619 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)CC1 ZINC000576145803 491585622 /nfs/dbraw/zinc/58/56/22/491585622.db2.gz BWSZUBNIGMGTCI-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)CC1 ZINC000576145803 491585627 /nfs/dbraw/zinc/58/56/27/491585627.db2.gz BWSZUBNIGMGTCI-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000568565943 491586864 /nfs/dbraw/zinc/58/68/64/491586864.db2.gz ZQJHLPKGMIYYME-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000568565943 491586868 /nfs/dbraw/zinc/58/68/68/491586868.db2.gz ZQJHLPKGMIYYME-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP O=S(=O)(CC[NH2+]CC1(O)CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000568621613 491593249 /nfs/dbraw/zinc/59/32/49/491593249.db2.gz XVVWPXDDZLRPDS-UHFFFAOYSA-N 2 2 354.476 0.038 20 0 FCADLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2CC1(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CCC1 ZINC000660467140 493353890 /nfs/dbraw/zinc/35/38/90/493353890.db2.gz KFSBFDLVPFJGPX-QBPKDAKJSA-N 2 2 360.502 0.578 20 0 FCADLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2CC1(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CCC1 ZINC000660467140 493353893 /nfs/dbraw/zinc/35/38/93/493353893.db2.gz KFSBFDLVPFJGPX-QBPKDAKJSA-N 2 2 360.502 0.578 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000576265110 491598883 /nfs/dbraw/zinc/59/88/83/491598883.db2.gz XUWCTKLZSUMJNM-JKSUJKDBSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Cl)cc1 ZINC000577193003 491600522 /nfs/dbraw/zinc/60/05/22/491600522.db2.gz WPYUXJMEDRYGSE-TUKIKUTGSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(Cl)cc1 ZINC000577193003 491600524 /nfs/dbraw/zinc/60/05/24/491600524.db2.gz WPYUXJMEDRYGSE-TUKIKUTGSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000561367830 491601840 /nfs/dbraw/zinc/60/18/40/491601840.db2.gz UAYBGWDCILKVHP-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000561366995 491602135 /nfs/dbraw/zinc/60/21/35/491602135.db2.gz ASSOFQYBLVZTFA-ARFHVFGLSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)CCC2 ZINC000576308063 491604049 /nfs/dbraw/zinc/60/40/49/491604049.db2.gz COFINUAAKNJHNP-HRCADAONSA-N 2 2 359.474 0.738 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@@H]3CC[N@H+](C)C[C@H]31)CCC2 ZINC000576308063 491604053 /nfs/dbraw/zinc/60/40/53/491604053.db2.gz COFINUAAKNJHNP-HRCADAONSA-N 2 2 359.474 0.738 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C)C1CCCC1 ZINC000561424657 491607233 /nfs/dbraw/zinc/60/72/33/491607233.db2.gz BFGJODCFNFFRDE-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C)C1CCCC1 ZINC000561424657 491607235 /nfs/dbraw/zinc/60/72/35/491607235.db2.gz BFGJODCFNFFRDE-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCC1 ZINC000561424657 491607238 /nfs/dbraw/zinc/60/72/38/491607238.db2.gz BFGJODCFNFFRDE-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCC1 ZINC000561424657 491607239 /nfs/dbraw/zinc/60/72/39/491607239.db2.gz BFGJODCFNFFRDE-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000568760736 491607369 /nfs/dbraw/zinc/60/73/69/491607369.db2.gz XZCGWRYDXODISR-HUUCEWRRSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000568760736 491607370 /nfs/dbraw/zinc/60/73/70/491607370.db2.gz XZCGWRYDXODISR-HUUCEWRRSA-N 2 2 350.850 0.794 20 0 FCADLP Cc1cc(C)c(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c(C)[nH+]1 ZINC000568845783 491613511 /nfs/dbraw/zinc/61/35/11/491613511.db2.gz PGECWHFPARLNLJ-UHFFFAOYSA-N 2 2 367.475 0.458 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCN3C(=O)CNC3=O)c2cc1C ZINC000568873463 491615613 /nfs/dbraw/zinc/61/56/13/491615613.db2.gz YSQMHZNHRBMKEV-AWEZNQCLSA-N 2 2 359.430 0.546 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396948 491618932 /nfs/dbraw/zinc/61/89/32/491618932.db2.gz UWRQSKAHIAGCPF-OLZOCXBDSA-N 2 2 365.478 0.027 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396948 491618933 /nfs/dbraw/zinc/61/89/33/491618933.db2.gz UWRQSKAHIAGCPF-OLZOCXBDSA-N 2 2 365.478 0.027 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000577399748 491619445 /nfs/dbraw/zinc/61/94/45/491619445.db2.gz NYZJXVWDQBELQW-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[C@@H](C)[NH+]1CCOCC1 ZINC000568915082 491619898 /nfs/dbraw/zinc/61/98/98/491619898.db2.gz MDGUVFBKVAUVAR-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CC(=O)N1CCN(C(=O)CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000576523220 491622091 /nfs/dbraw/zinc/62/20/91/491622091.db2.gz LBNKYXHYZJVYEG-UHFFFAOYSA-N 2 2 373.501 0.716 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000568976954 491623775 /nfs/dbraw/zinc/62/37/75/491623775.db2.gz XEPYWJQYUYDNDU-IAGOWNOFSA-N 2 2 373.501 0.182 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000577477982 491624933 /nfs/dbraw/zinc/62/49/33/491624933.db2.gz CBXVQDSOPSYGAO-JYJNAYRXSA-N 2 2 370.538 0.694 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000576602895 491628738 /nfs/dbraw/zinc/62/87/38/491628738.db2.gz OMSMBIWMYYPZMW-UONOGXRCSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000576602895 491628739 /nfs/dbraw/zinc/62/87/39/491628739.db2.gz OMSMBIWMYYPZMW-UONOGXRCSA-N 2 2 368.503 0.304 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000561760434 491629790 /nfs/dbraw/zinc/62/97/90/491629790.db2.gz NJZRCYISRWXSIP-UHFFFAOYSA-N 2 2 365.478 0.384 20 0 FCADLP CO[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H](C[NH3+])C1 ZINC000576640785 491632243 /nfs/dbraw/zinc/63/22/43/491632243.db2.gz WEEWFLPQGSCNCC-SJORKVTESA-N 2 2 366.531 0.830 20 0 FCADLP CO[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H](C[NH3+])C1 ZINC000576640784 491632320 /nfs/dbraw/zinc/63/23/20/491632320.db2.gz WEEWFLPQGSCNCC-IRXDYDNUSA-N 2 2 366.531 0.830 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704237 491637271 /nfs/dbraw/zinc/63/72/71/491637271.db2.gz CCNNMIRJNXVZMN-IEBWSBKVSA-N 2 2 370.497 0.967 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704237 491637275 /nfs/dbraw/zinc/63/72/75/491637275.db2.gz CCNNMIRJNXVZMN-IEBWSBKVSA-N 2 2 370.497 0.967 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000561994986 491645269 /nfs/dbraw/zinc/64/52/69/491645269.db2.gz AAIJOJDJHIYIRI-HOCLYGCPSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000561994986 491645273 /nfs/dbraw/zinc/64/52/73/491645273.db2.gz AAIJOJDJHIYIRI-HOCLYGCPSA-N 2 2 364.515 0.991 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000577724926 491645996 /nfs/dbraw/zinc/64/59/96/491645996.db2.gz OZPXRHXLJTWFAV-DLBZAZTESA-N 2 2 363.506 0.182 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000562009917 491647311 /nfs/dbraw/zinc/64/73/11/491647311.db2.gz URLDETJDBAHLJP-CQSZACIVSA-N 2 2 356.536 0.388 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000562009917 491647314 /nfs/dbraw/zinc/64/73/14/491647314.db2.gz URLDETJDBAHLJP-CQSZACIVSA-N 2 2 356.536 0.388 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000576816063 491647322 /nfs/dbraw/zinc/64/73/22/491647322.db2.gz JUKIYGNOJJKRET-AWEZNQCLSA-N 2 2 360.449 0.810 20 0 FCADLP C[C@]1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000577740949 491647621 /nfs/dbraw/zinc/64/76/21/491647621.db2.gz IVSWGASVKGDNQL-BEFAXECRSA-N 2 2 374.489 0.398 20 0 FCADLP C[C@]1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000577740949 491647625 /nfs/dbraw/zinc/64/76/25/491647625.db2.gz IVSWGASVKGDNQL-BEFAXECRSA-N 2 2 374.489 0.398 20 0 FCADLP CN1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCC1=O ZINC000577766150 491650541 /nfs/dbraw/zinc/65/05/41/491650541.db2.gz VJRBUAAXMCEIGP-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP CN1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCC1=O ZINC000577766150 491650546 /nfs/dbraw/zinc/65/05/46/491650546.db2.gz VJRBUAAXMCEIGP-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000576864203 491651626 /nfs/dbraw/zinc/65/16/26/491651626.db2.gz QQFQWCJQXAGSHV-WBVHZDCISA-N 2 2 368.522 0.138 20 0 FCADLP 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ZINC000581010684 491755318 /nfs/dbraw/zinc/75/53/18/491755318.db2.gz VWJRMAKWFNEZDS-GJZGRUSLSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000581010684 491755319 /nfs/dbraw/zinc/75/53/19/491755319.db2.gz VWJRMAKWFNEZDS-GJZGRUSLSA-N 2 2 350.850 0.794 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000581075008 491758078 /nfs/dbraw/zinc/75/80/78/491758078.db2.gz UNDQYWFRVWAPPC-CRAIPNDOSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000581075008 491758079 /nfs/dbraw/zinc/75/80/79/491758079.db2.gz UNDQYWFRVWAPPC-CRAIPNDOSA-N 2 2 364.465 0.912 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]3CCCC3)C1)CCC2 ZINC000581154927 491761703 /nfs/dbraw/zinc/76/17/03/491761703.db2.gz PFVSBPMKAGCREM-CVEARBPZSA-N 2 2 359.474 0.882 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CCC2 ZINC000581154936 491761775 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0.685 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000581498823 491775605 /nfs/dbraw/zinc/77/56/05/491775605.db2.gz KXQDXDSFQHEGEI-MEBBXXQBSA-N 2 2 353.390 0.410 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000581551807 491777521 /nfs/dbraw/zinc/77/75/21/491777521.db2.gz ZWKBPHJDLDDUQW-HOJAQTOUSA-N 2 2 374.529 0.546 20 0 FCADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000590619033 491781489 /nfs/dbraw/zinc/78/14/89/491781489.db2.gz ARSIGWCAYRRYIU-GOSISDBHSA-N 2 2 373.501 0.930 20 0 FCADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000590619033 491781490 /nfs/dbraw/zinc/78/14/90/491781490.db2.gz ARSIGWCAYRRYIU-GOSISDBHSA-N 2 2 373.501 0.930 20 0 FCADLP CN(C)c1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(=O)[nH]1 ZINC000581679364 491782423 /nfs/dbraw/zinc/78/24/23/491782423.db2.gz UMDQBNRLRNKJLC-UHFFFAOYSA-N 2 2 362.478 0.537 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000581723537 491784201 /nfs/dbraw/zinc/78/42/01/491784201.db2.gz HRGPZOASDSEDOQ-GOSISDBHSA-N 2 2 366.469 0.602 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000581860966 491787842 /nfs/dbraw/zinc/78/78/42/491787842.db2.gz GFMZCYAMXCESHN-ZIAGYGMSSA-N 2 2 354.410 0.867 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000581860966 491787843 /nfs/dbraw/zinc/78/78/43/491787843.db2.gz GFMZCYAMXCESHN-ZIAGYGMSSA-N 2 2 354.410 0.867 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000581881712 491788669 /nfs/dbraw/zinc/78/86/69/491788669.db2.gz DLSJMDDXZIKCSK-GDBMZVCRSA-N 2 2 359.405 0.633 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000591169628 491797807 /nfs/dbraw/zinc/79/78/07/491797807.db2.gz OTENURFRNKVLNX-UHFFFAOYSA-N 2 2 370.457 0.913 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000591600747 491810554 /nfs/dbraw/zinc/81/05/54/491810554.db2.gz MQYVZVUMNQIVFC-TVFCKZIOSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000591600747 491810555 /nfs/dbraw/zinc/81/05/55/491810555.db2.gz MQYVZVUMNQIVFC-TVFCKZIOSA-N 2 2 368.522 0.990 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582431817 491812168 /nfs/dbraw/zinc/81/21/68/491812168.db2.gz SEWYERNNJRUEES-NWANDNLSSA-N 2 2 362.499 0.828 20 0 FCADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582431817 491812170 /nfs/dbraw/zinc/81/21/70/491812170.db2.gz SEWYERNNJRUEES-NWANDNLSSA-N 2 2 362.499 0.828 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582775442 491826435 /nfs/dbraw/zinc/82/64/35/491826435.db2.gz LIYYFHQQZQFZFM-GRYWWWGRSA-N 2 2 351.426 0.721 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000582775442 491826437 /nfs/dbraw/zinc/82/64/37/491826437.db2.gz LIYYFHQQZQFZFM-GRYWWWGRSA-N 2 2 351.426 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000582798864 491827448 /nfs/dbraw/zinc/82/74/48/491827448.db2.gz BWNYOEUBDVULKF-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000582798863 491827462 /nfs/dbraw/zinc/82/74/62/491827462.db2.gz BWNYOEUBDVULKF-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582847567 491829153 /nfs/dbraw/zinc/82/91/53/491829153.db2.gz WAOQFWOVWXRGFW-ZDUSSCGKSA-N 2 2 360.462 0.325 20 0 FCADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582847567 491829154 /nfs/dbraw/zinc/82/91/54/491829154.db2.gz WAOQFWOVWXRGFW-ZDUSSCGKSA-N 2 2 360.462 0.325 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000583119114 491838328 /nfs/dbraw/zinc/83/83/28/491838328.db2.gz FAUATJXVKMWUID-CQSZACIVSA-N 2 2 368.441 0.673 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000583119114 491838329 /nfs/dbraw/zinc/83/83/29/491838329.db2.gz FAUATJXVKMWUID-CQSZACIVSA-N 2 2 368.441 0.673 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000583154516 491839197 /nfs/dbraw/zinc/83/91/97/491839197.db2.gz DAAPZBFRDFOVRF-HUUCEWRRSA-N 2 2 358.446 0.004 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000583203039 491840213 /nfs/dbraw/zinc/84/02/13/491840213.db2.gz HPFBZJODBQCJNO-IBGZPJMESA-N 2 2 359.474 0.708 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000583203040 491840219 /nfs/dbraw/zinc/84/02/19/491840219.db2.gz HPFBZJODBQCJNO-LJQANCHMSA-N 2 2 359.474 0.708 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262155 491841153 /nfs/dbraw/zinc/84/11/53/491841153.db2.gz UMRHEJGNBVJCBW-UZLBHIALSA-N 2 2 359.470 0.919 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000583262155 491841154 /nfs/dbraw/zinc/84/11/54/491841154.db2.gz UMRHEJGNBVJCBW-UZLBHIALSA-N 2 2 359.470 0.919 20 0 FCADLP Cn1cc([C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371095 491843427 /nfs/dbraw/zinc/84/34/27/491843427.db2.gz ZLKAZFOKXCMLRS-SJORKVTESA-N 2 2 360.437 0.933 20 0 FCADLP Cn1cc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccc(F)cc2)cn1 ZINC000583371095 491843428 /nfs/dbraw/zinc/84/34/28/491843428.db2.gz ZLKAZFOKXCMLRS-SJORKVTESA-N 2 2 360.437 0.933 20 0 FCADLP O=C1CCc2cc(OC[C@H](O)C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)ccc2N1 ZINC000583389011 491843946 /nfs/dbraw/zinc/84/39/46/491843946.db2.gz UHSJLQNJKSXCDL-OAHLLOKOSA-N 2 2 371.441 0.856 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000583441273 491845046 /nfs/dbraw/zinc/84/50/46/491845046.db2.gz UUDDQNLVUOHSFN-GJZGRUSLSA-N 2 2 360.458 0.633 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000583441273 491845047 /nfs/dbraw/zinc/84/50/47/491845047.db2.gz UUDDQNLVUOHSFN-GJZGRUSLSA-N 2 2 360.458 0.633 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)C)CC1)CCC2 ZINC000583463019 491845604 /nfs/dbraw/zinc/84/56/04/491845604.db2.gz JCQDQMGIIHAABJ-MRXNPFEDSA-N 2 2 361.490 0.985 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000583621597 491848767 /nfs/dbraw/zinc/84/87/67/491848767.db2.gz HENSPLJLSWIGCY-SJORKVTESA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000583621597 491848768 /nfs/dbraw/zinc/84/87/68/491848768.db2.gz HENSPLJLSWIGCY-SJORKVTESA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)[NH+]1CCOCC1 ZINC000583674885 491849876 /nfs/dbraw/zinc/84/98/76/491849876.db2.gz GHMDXJKKITYDQA-GVDBMIGSSA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)[NH+]1CCOCC1 ZINC000583674885 491849877 /nfs/dbraw/zinc/84/98/77/491849877.db2.gz GHMDXJKKITYDQA-GVDBMIGSSA-N 2 2 353.507 0.839 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+](CC(=O)OC(C)(C)C)C2CCOCC2)CC1 ZINC000583815194 491852700 /nfs/dbraw/zinc/85/27/00/491852700.db2.gz BRCHCPUIHHWZHF-UHFFFAOYSA-N 2 2 369.506 0.973 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C2CCOCC2)CC1 ZINC000583815194 491852701 /nfs/dbraw/zinc/85/27/01/491852701.db2.gz BRCHCPUIHHWZHF-UHFFFAOYSA-N 2 2 369.506 0.973 20 0 FCADLP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583867640 491853533 /nfs/dbraw/zinc/85/35/33/491853533.db2.gz WXJMFCLSWWEPOP-IJEWVQPXSA-N 2 2 371.503 0.202 20 0 FCADLP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583867640 491853534 /nfs/dbraw/zinc/85/35/34/491853534.db2.gz WXJMFCLSWWEPOP-IJEWVQPXSA-N 2 2 371.503 0.202 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@@H](C)O1 ZINC000583867175 491853545 /nfs/dbraw/zinc/85/35/45/491853545.db2.gz UTQCWGITXMTIKO-YFHUEUNASA-N 2 2 353.507 0.980 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@H](O)CO ZINC000662287494 493503412 /nfs/dbraw/zinc/50/34/12/493503412.db2.gz BCTXZBVELGXLEG-ZDUSSCGKSA-N 2 2 360.252 0.392 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@H](O)CO ZINC000662287494 493503415 /nfs/dbraw/zinc/50/34/15/493503415.db2.gz BCTXZBVELGXLEG-ZDUSSCGKSA-N 2 2 360.252 0.392 20 0 FCADLP O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000583937235 491855090 /nfs/dbraw/zinc/85/50/90/491855090.db2.gz FRFQBYNBBNZBHS-AZUAARDMSA-N 2 2 372.513 0.819 20 0 FCADLP CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000583983526 491856024 /nfs/dbraw/zinc/85/60/24/491856024.db2.gz CTLRVXSOYMQXDR-YOEHRIQHSA-N 2 2 361.490 0.999 20 0 FCADLP CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000583983526 491856025 /nfs/dbraw/zinc/85/60/25/491856025.db2.gz CTLRVXSOYMQXDR-YOEHRIQHSA-N 2 2 361.490 0.999 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000583992166 491856112 /nfs/dbraw/zinc/85/61/12/491856112.db2.gz UIAOHMLTYSVDBG-HZPDHXFCSA-N 2 2 364.494 0.679 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000584058258 491857667 /nfs/dbraw/zinc/85/76/67/491857667.db2.gz OGKQAWFWSVFILF-HZPDHXFCSA-N 2 2 358.446 0.893 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875390 491869458 /nfs/dbraw/zinc/86/94/58/491869458.db2.gz DMZISZQZASEAEW-FUHWJXTLSA-N 2 2 374.485 0.549 20 0 FCADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594875390 491869459 /nfs/dbraw/zinc/86/94/59/491869459.db2.gz DMZISZQZASEAEW-FUHWJXTLSA-N 2 2 374.485 0.549 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874723 491869468 /nfs/dbraw/zinc/86/94/68/491869468.db2.gz QWZFWXZKKCGEHZ-QKCSRTOESA-N 2 2 368.384 0.859 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874723 491869470 /nfs/dbraw/zinc/86/94/70/491869470.db2.gz QWZFWXZKKCGEHZ-QKCSRTOESA-N 2 2 368.384 0.859 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000600720817 491878862 /nfs/dbraw/zinc/87/88/62/491878862.db2.gz ICCLFDVPLRWJEA-UTUOFQBUSA-N 2 2 351.369 0.610 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000600720817 491878863 /nfs/dbraw/zinc/87/88/63/491878863.db2.gz ICCLFDVPLRWJEA-UTUOFQBUSA-N 2 2 351.369 0.610 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886071 491888013 /nfs/dbraw/zinc/88/80/13/491888013.db2.gz KRGGLWODZHAFCQ-IAGOWNOFSA-N 2 2 373.453 0.838 20 0 FCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886071 491888015 /nfs/dbraw/zinc/88/80/15/491888015.db2.gz KRGGLWODZHAFCQ-IAGOWNOFSA-N 2 2 373.453 0.838 20 0 FCADLP Ic1cnc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000601325483 491904615 /nfs/dbraw/zinc/90/46/15/491904615.db2.gz DBIXCIPPATWCJO-NSHDSACASA-N 2 2 373.242 0.813 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000612316223 491910008 /nfs/dbraw/zinc/91/00/08/491910008.db2.gz KRHGSCKISZPLDM-CALCHBBNSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000612316223 491910010 /nfs/dbraw/zinc/91/00/10/491910010.db2.gz KRHGSCKISZPLDM-CALCHBBNSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000612316223 491910012 /nfs/dbraw/zinc/91/00/12/491910012.db2.gz KRHGSCKISZPLDM-CALCHBBNSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000612316223 491910015 /nfs/dbraw/zinc/91/00/15/491910015.db2.gz KRHGSCKISZPLDM-CALCHBBNSA-N 2 2 369.554 0.811 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000601405385 491914831 /nfs/dbraw/zinc/91/48/31/491914831.db2.gz OSLGJXYSKYCGLE-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000601405385 491914833 /nfs/dbraw/zinc/91/48/33/491914833.db2.gz OSLGJXYSKYCGLE-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000612484478 491924388 /nfs/dbraw/zinc/92/43/88/491924388.db2.gz AUBNOLLCMSCSFF-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000612484478 491924390 /nfs/dbraw/zinc/92/43/90/491924390.db2.gz AUBNOLLCMSCSFF-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)C1 ZINC000595694002 491948851 /nfs/dbraw/zinc/94/88/51/491948851.db2.gz BRDJIOSLPHFYGH-OAHLLOKOSA-N 2 2 362.449 0.651 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)C1 ZINC000595694002 491948853 /nfs/dbraw/zinc/94/88/53/491948853.db2.gz BRDJIOSLPHFYGH-OAHLLOKOSA-N 2 2 362.449 0.651 20 0 FCADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1-n1cnnn1 ZINC000602204061 491967820 /nfs/dbraw/zinc/96/78/20/491967820.db2.gz YCOFAAORTWMDDI-MRXNPFEDSA-N 2 2 369.473 0.869 20 0 FCADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1-n1cnnn1 ZINC000602204061 491967822 /nfs/dbraw/zinc/96/78/22/491967822.db2.gz YCOFAAORTWMDDI-MRXNPFEDSA-N 2 2 369.473 0.869 20 0 FCADLP COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)s1 ZINC000595995586 491970914 /nfs/dbraw/zinc/97/09/14/491970914.db2.gz PINPPNXVUYOFQC-NEPJUHHUSA-N 2 2 354.476 0.915 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)C2)CC1 ZINC000602372813 491982052 /nfs/dbraw/zinc/98/20/52/491982052.db2.gz PABLHTMQXUCXEK-IAGOWNOFSA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)C2)CC1 ZINC000602372813 491982055 /nfs/dbraw/zinc/98/20/55/491982055.db2.gz PABLHTMQXUCXEK-IAGOWNOFSA-N 2 2 353.511 0.127 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602464690 491987732 /nfs/dbraw/zinc/98/77/32/491987732.db2.gz MJKKOVUBOQGQQV-ZDUSSCGKSA-N 2 2 358.533 0.607 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602464690 491987734 /nfs/dbraw/zinc/98/77/34/491987734.db2.gz MJKKOVUBOQGQQV-ZDUSSCGKSA-N 2 2 358.533 0.607 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)on1 ZINC000602531199 491992281 /nfs/dbraw/zinc/99/22/81/491992281.db2.gz ZUUPQXGHANPBTH-HNNXBMFYSA-N 2 2 352.435 0.884 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)on1 ZINC000602531199 491992282 /nfs/dbraw/zinc/99/22/82/491992282.db2.gz ZUUPQXGHANPBTH-HNNXBMFYSA-N 2 2 352.435 0.884 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000596604694 491992448 /nfs/dbraw/zinc/99/24/48/491992448.db2.gz BRWVXGGMZALDPZ-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000596604694 491992450 /nfs/dbraw/zinc/99/24/50/491992450.db2.gz BRWVXGGMZALDPZ-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP COC(=O)c1csc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000602595596 491993481 /nfs/dbraw/zinc/99/34/81/491993481.db2.gz ZVWGYTHSICFOFQ-AWEZNQCLSA-N 2 2 367.471 0.557 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H](O)C[N@H+](C)CC)nn2)CC1 ZINC000603258775 492022446 /nfs/dbraw/zinc/02/24/46/492022446.db2.gz KQMYDZODVCCHRP-MRXNPFEDSA-N 2 2 353.467 0.366 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H](O)C[N@@H+](C)CC)nn2)CC1 ZINC000603258775 492022447 /nfs/dbraw/zinc/02/24/47/492022447.db2.gz KQMYDZODVCCHRP-MRXNPFEDSA-N 2 2 353.467 0.366 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643474 492065848 /nfs/dbraw/zinc/06/58/48/492065848.db2.gz MPJVGKTXUDNESV-KRWDZBQOSA-N 2 2 364.494 0.369 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643474 492065851 /nfs/dbraw/zinc/06/58/51/492065851.db2.gz MPJVGKTXUDNESV-KRWDZBQOSA-N 2 2 364.494 0.369 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000598323333 492095187 /nfs/dbraw/zinc/09/51/87/492095187.db2.gz FWQGHZJWWVCDSU-MRXNPFEDSA-N 2 2 362.478 0.782 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605520007 492097100 /nfs/dbraw/zinc/09/71/00/492097100.db2.gz IKCUCJDZPPKHDI-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP Cn1ccc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1=O ZINC000606454709 492122835 /nfs/dbraw/zinc/12/28/35/492122835.db2.gz ZFTRSVWCNJMWMP-UHFFFAOYSA-N 2 2 370.457 0.334 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(C)(C)CO ZINC000616868904 492146854 /nfs/dbraw/zinc/14/68/54/492146854.db2.gz WWZMBUCFEKUCDI-HIFRSBDPSA-N 2 2 365.478 0.006 20 0 FCADLP C[C@H]1CC(=O)NCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000608660176 492184836 /nfs/dbraw/zinc/18/48/36/492184836.db2.gz BZAIOHSKUJPFBM-AWEZNQCLSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732516 492186072 /nfs/dbraw/zinc/18/60/72/492186072.db2.gz GOQOJXMQDSCSDN-MBOZVWFJSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732516 492186074 /nfs/dbraw/zinc/18/60/74/492186074.db2.gz GOQOJXMQDSCSDN-MBOZVWFJSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732516 492186076 /nfs/dbraw/zinc/18/60/76/492186076.db2.gz GOQOJXMQDSCSDN-MBOZVWFJSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732516 492186078 /nfs/dbraw/zinc/18/60/78/492186078.db2.gz GOQOJXMQDSCSDN-MBOZVWFJSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)CN1CC[NH+](C)CC1 ZINC000608694560 492187916 /nfs/dbraw/zinc/18/79/16/492187916.db2.gz QTIYNPHZZYINQF-GOSISDBHSA-N 2 2 368.570 0.197 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000619020659 492247205 /nfs/dbraw/zinc/24/72/05/492247205.db2.gz DVTPNACAEZIESE-UHFFFAOYSA-N 2 2 373.501 0.887 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995532 492274113 /nfs/dbraw/zinc/27/41/13/492274113.db2.gz WIGAFAIMFUCMKH-OWCLPIDISA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995532 492274115 /nfs/dbraw/zinc/27/41/15/492274115.db2.gz WIGAFAIMFUCMKH-OWCLPIDISA-N 2 2 352.479 0.938 20 0 FCADLP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000619971326 492285093 /nfs/dbraw/zinc/28/50/93/492285093.db2.gz OBQDCHJSEZTPFX-IAGOWNOFSA-N 2 2 350.507 0.384 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453960 492301585 /nfs/dbraw/zinc/30/15/85/492301585.db2.gz CNMFGCZLCHUVIQ-INIZCTEOSA-N 2 2 374.485 0.343 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453960 492301587 /nfs/dbraw/zinc/30/15/87/492301587.db2.gz CNMFGCZLCHUVIQ-INIZCTEOSA-N 2 2 374.485 0.343 20 0 FCADLP CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)nn1 ZINC000641787691 492305439 /nfs/dbraw/zinc/30/54/39/492305439.db2.gz YCUGLNILXPPGFX-INIZCTEOSA-N 2 2 350.511 0.919 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)N2CC[N@H+](C)C(C)(C)C2)CC(=O)N1C ZINC000641825431 492311492 /nfs/dbraw/zinc/31/14/92/492311492.db2.gz UZCFLVWIYJDILG-DZGCQCFKSA-N 2 2 362.478 0.675 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC(=O)N1C ZINC000641825431 492311495 /nfs/dbraw/zinc/31/14/95/492311495.db2.gz UZCFLVWIYJDILG-DZGCQCFKSA-N 2 2 362.478 0.675 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000627473970 492311909 /nfs/dbraw/zinc/31/19/09/492311909.db2.gz ARIRBWOBARQSQH-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000627473970 492311913 /nfs/dbraw/zinc/31/19/13/492311913.db2.gz ARIRBWOBARQSQH-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620479153 492312332 /nfs/dbraw/zinc/31/23/32/492312332.db2.gz OTBXQXZGWMSXRT-QZTJIDSGSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620479153 492312334 /nfs/dbraw/zinc/31/23/34/492312334.db2.gz OTBXQXZGWMSXRT-QZTJIDSGSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620479153 492312338 /nfs/dbraw/zinc/31/23/38/492312338.db2.gz OTBXQXZGWMSXRT-QZTJIDSGSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620479153 492312341 /nfs/dbraw/zinc/31/23/41/492312341.db2.gz OTBXQXZGWMSXRT-QZTJIDSGSA-N 2 2 351.491 0.687 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476155 492313392 /nfs/dbraw/zinc/31/33/92/492313392.db2.gz BKSZDVRWYHSOSF-BPQIPLTHSA-N 2 2 358.486 0.628 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476155 492313395 /nfs/dbraw/zinc/31/33/95/492313395.db2.gz BKSZDVRWYHSOSF-BPQIPLTHSA-N 2 2 358.486 0.628 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627477697 492315043 /nfs/dbraw/zinc/31/50/43/492315043.db2.gz ACSPMFJZYMJZQR-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP C[C@H]([C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)S(C)(=O)=O ZINC000634194719 492325248 /nfs/dbraw/zinc/32/52/48/492325248.db2.gz WZJZGFGPKSVVAE-CHWSQXEVSA-N 2 2 354.476 0.841 20 0 FCADLP C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194919 492326317 /nfs/dbraw/zinc/32/63/17/492326317.db2.gz YUOMFMDBFVPTPJ-LRDDRELGSA-N 2 2 361.446 0.048 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000642015654 492327806 /nfs/dbraw/zinc/32/78/06/492327806.db2.gz FKYIIXGWSUVPPN-INIZCTEOSA-N 2 2 358.446 0.150 20 0 FCADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)N1CC[NH+](C)CC1 ZINC000634302427 492335799 /nfs/dbraw/zinc/33/57/99/492335799.db2.gz DKKVTBROLURPAE-HNNXBMFYSA-N 2 2 363.531 0.887 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642211887 492342052 /nfs/dbraw/zinc/34/20/52/492342052.db2.gz IQZUAMKMQBUOBO-DYVFJYSZSA-N 2 2 373.457 0.426 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000642257042 492346592 /nfs/dbraw/zinc/34/65/92/492346592.db2.gz LTLRAKBVDNUIDK-CYBMUJFWSA-N 2 2 350.488 0.420 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000642257042 492346595 /nfs/dbraw/zinc/34/65/95/492346595.db2.gz LTLRAKBVDNUIDK-CYBMUJFWSA-N 2 2 350.488 0.420 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642257101 492346777 /nfs/dbraw/zinc/34/67/77/492346777.db2.gz URAALPMRMGDNBU-HIFRSBDPSA-N 2 2 362.499 0.433 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642257101 492346781 /nfs/dbraw/zinc/34/67/81/492346781.db2.gz URAALPMRMGDNBU-HIFRSBDPSA-N 2 2 362.499 0.433 20 0 FCADLP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773604 492349926 /nfs/dbraw/zinc/34/99/26/492349926.db2.gz DZQKPBQGUDJCFW-QGZVFWFLSA-N 3 2 362.522 0.685 20 0 FCADLP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773604 492349927 /nfs/dbraw/zinc/34/99/27/492349927.db2.gz DZQKPBQGUDJCFW-QGZVFWFLSA-N 3 2 362.522 0.685 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000642327658 492351231 /nfs/dbraw/zinc/35/12/31/492351231.db2.gz UJMQWCKXMMBCOD-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000642327618 492351365 /nfs/dbraw/zinc/35/13/65/492351365.db2.gz QPVAEKFYCRCOGV-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703080 492360744 /nfs/dbraw/zinc/36/07/44/492360744.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703080 492360747 /nfs/dbraw/zinc/36/07/47/492360747.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703080 492360750 /nfs/dbraw/zinc/36/07/50/492360750.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 3 2 374.529 0.800 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000642517709 492360715 /nfs/dbraw/zinc/36/07/15/492360715.db2.gz QKGAOOLODVTEGT-OAGGEKHMSA-N 2 2 354.495 0.045 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703080 492360753 /nfs/dbraw/zinc/36/07/53/492360753.db2.gz PIQBBPHVKLFSMF-TZIWHRDSSA-N 3 2 374.529 0.800 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH+](C)CC1 ZINC000621252810 492365279 /nfs/dbraw/zinc/36/52/79/492365279.db2.gz DRVYGSTYLAPYBA-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)[nH+]c12 ZINC000642638909 492368163 /nfs/dbraw/zinc/36/81/63/492368163.db2.gz RMAGDTHUBRZTFR-UAGQMJEPSA-N 2 2 369.469 0.887 20 0 FCADLP c1ccc(C[NH+]2CCN(CCNc3nc[nH+]c4c3OCCN4)CC2)cc1 ZINC000647847932 492371123 /nfs/dbraw/zinc/37/11/23/492371123.db2.gz VWPOQWDDWNBPSS-UHFFFAOYSA-N 2 2 354.458 0.623 20 0 FCADLP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000647849342 492371378 /nfs/dbraw/zinc/37/13/78/492371378.db2.gz PTVFUCWSOGEDLS-GFCCVEGCSA-N 2 2 372.491 0.553 20 0 FCADLP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000647849342 492371379 /nfs/dbraw/zinc/37/13/79/492371379.db2.gz PTVFUCWSOGEDLS-GFCCVEGCSA-N 2 2 372.491 0.553 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642708538 492376434 /nfs/dbraw/zinc/37/64/34/492376434.db2.gz YKDRLUYQSIFKBD-MSOLQXFVSA-N 2 2 367.453 0.758 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ncnn2CC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000647905671 492380671 /nfs/dbraw/zinc/38/06/71/492380671.db2.gz MNFJABIOBKNFAI-CHWSQXEVSA-N 2 2 356.421 0.623 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](Cc2ncnn2CC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000647905671 492380677 /nfs/dbraw/zinc/38/06/77/492380677.db2.gz MNFJABIOBKNFAI-CHWSQXEVSA-N 2 2 356.421 0.623 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647934759 492386153 /nfs/dbraw/zinc/38/61/53/492386153.db2.gz PBNIKRQQPXNGCM-GXTWGEPZSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647934759 492386156 /nfs/dbraw/zinc/38/61/56/492386156.db2.gz PBNIKRQQPXNGCM-GXTWGEPZSA-N 2 2 354.476 0.640 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642754730 492386172 /nfs/dbraw/zinc/38/61/72/492386172.db2.gz BJLYLURZUYLYLJ-QGZVFWFLSA-N 2 2 373.501 0.183 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647938454 492386192 /nfs/dbraw/zinc/38/61/92/492386192.db2.gz NMYLTMGRXZDTTE-YWPYICTPSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647938454 492386195 /nfs/dbraw/zinc/38/61/95/492386195.db2.gz NMYLTMGRXZDTTE-YWPYICTPSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000642754775 492386925 /nfs/dbraw/zinc/38/69/25/492386925.db2.gz OBBZGIOSKLQZDO-IAGOWNOFSA-N 2 2 373.501 0.134 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647971263 492389333 /nfs/dbraw/zinc/38/93/33/492389333.db2.gz DNRBNTBSCBTTOW-PMPSAXMXSA-N 2 2 360.458 0.494 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647971263 492389335 /nfs/dbraw/zinc/38/93/35/492389335.db2.gz DNRBNTBSCBTTOW-PMPSAXMXSA-N 2 2 360.458 0.494 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647971261 492389358 /nfs/dbraw/zinc/38/93/58/492389358.db2.gz DNRBNTBSCBTTOW-OAGGEKHMSA-N 2 2 360.458 0.494 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647971261 492389362 /nfs/dbraw/zinc/38/93/62/492389362.db2.gz DNRBNTBSCBTTOW-OAGGEKHMSA-N 2 2 360.458 0.494 20 0 FCADLP CN(C)c1cncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000635124155 492396835 /nfs/dbraw/zinc/39/68/35/492396835.db2.gz SRLSMSDBYZEROY-CQSZACIVSA-N 2 2 374.489 0.371 20 0 FCADLP CN(C)c1cncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000635124155 492396836 /nfs/dbraw/zinc/39/68/36/492396836.db2.gz SRLSMSDBYZEROY-CQSZACIVSA-N 2 2 374.489 0.371 20 0 FCADLP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621638733 492398891 /nfs/dbraw/zinc/39/88/91/492398891.db2.gz VPBGNZYXIVDFFW-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621638733 492398895 /nfs/dbraw/zinc/39/88/95/492398895.db2.gz VPBGNZYXIVDFFW-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](c2ccccc2)C1 ZINC000642900557 492399329 /nfs/dbraw/zinc/39/93/29/492399329.db2.gz AKWUVSXZJOAQCT-UJJTZGENSA-N 2 2 356.470 0.901 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](c2ccccc2)C1 ZINC000642900557 492399331 /nfs/dbraw/zinc/39/93/31/492399331.db2.gz AKWUVSXZJOAQCT-UJJTZGENSA-N 2 2 356.470 0.901 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000642908964 492401587 /nfs/dbraw/zinc/40/15/87/492401587.db2.gz CTCDMJFGCSXOLR-HOTGVXAUSA-N 2 2 362.474 0.199 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642926773 492404636 /nfs/dbraw/zinc/40/46/36/492404636.db2.gz NRRXHEHALQCBML-UHFFFAOYSA-N 2 2 370.375 0.438 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000642944122 492405185 /nfs/dbraw/zinc/40/51/85/492405185.db2.gz QMATYESGXGCFKF-IRXDYDNUSA-N 2 2 366.506 0.333 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621700595 492406282 /nfs/dbraw/zinc/40/62/82/492406282.db2.gz RORXIFVAQDXBKL-KBXCAEBGSA-N 2 2 365.499 0.975 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000642960358 492407344 /nfs/dbraw/zinc/40/73/44/492407344.db2.gz BGKSIOJHGGBPBU-QGZVFWFLSA-N 2 2 374.485 0.501 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCCC[NH2+]1 ZINC000648153670 492410249 /nfs/dbraw/zinc/41/02/49/492410249.db2.gz WCCYZCMATPWVNI-HOTGVXAUSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000648153670 492410253 /nfs/dbraw/zinc/41/02/53/492410253.db2.gz WCCYZCMATPWVNI-HOTGVXAUSA-N 2 2 374.489 0.540 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)C2 ZINC000621837461 492420709 /nfs/dbraw/zinc/42/07/09/492420709.db2.gz IPMZGNPLJREKFP-DNVCBOLYSA-N 2 2 353.426 0.828 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C2 ZINC000621838354 492421449 /nfs/dbraw/zinc/42/14/49/492421449.db2.gz CJUZYMONBJISAJ-OLMMMNRUSA-N 2 2 364.490 0.086 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)CC2)c1 ZINC000622025905 492441882 /nfs/dbraw/zinc/44/18/82/492441882.db2.gz YVXKPDYFFLFIER-NQIIRXRSSA-N 2 2 370.497 0.979 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028570 492443231 /nfs/dbraw/zinc/44/32/31/492443231.db2.gz SEGJDXXBRUKOEZ-IAQYHMDHSA-N 2 2 373.379 0.744 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622028833 492443675 /nfs/dbraw/zinc/44/36/75/492443675.db2.gz WNLCXZYIAFJNKW-OXFYSEKESA-N 2 2 371.485 0.627 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1)[C@@H]1CCC[NH2+]1 ZINC000655450556 492444017 /nfs/dbraw/zinc/44/40/17/492444017.db2.gz SDKFUNDTKMNSHL-JYJNAYRXSA-N 2 2 359.474 0.552 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000635412664 492445449 /nfs/dbraw/zinc/44/54/49/492445449.db2.gz UJKPWTDGIDRVOX-GOSISDBHSA-N 2 2 371.547 0.669 20 0 FCADLP COC1([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397887 492448075 /nfs/dbraw/zinc/44/80/75/492448075.db2.gz XXAMHYIOXVHUIB-GJZGRUSLSA-N 2 2 366.506 0.345 20 0 FCADLP COC1([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397887 492448077 /nfs/dbraw/zinc/44/80/77/492448077.db2.gz XXAMHYIOXVHUIB-GJZGRUSLSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCO[C@H]3C)CC2)CC1 ZINC000643401857 492449074 /nfs/dbraw/zinc/44/90/74/492449074.db2.gz BNTZNONAIDHUKO-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCO[C@H]3C)CC2)CC1 ZINC000643401857 492449077 /nfs/dbraw/zinc/44/90/77/492449077.db2.gz BNTZNONAIDHUKO-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc(C)[nH+]1 ZINC000643436206 492461334 /nfs/dbraw/zinc/46/13/34/492461334.db2.gz XOQAZCGGJPFUFD-SFHVURJKSA-N 2 2 373.501 0.553 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc(C)[nH+]1 ZINC000643436206 492461338 /nfs/dbraw/zinc/46/13/38/492461338.db2.gz XOQAZCGGJPFUFD-SFHVURJKSA-N 2 2 373.501 0.553 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000628104440 492465675 /nfs/dbraw/zinc/46/56/75/492465675.db2.gz SITJSVYSRSGRHX-HNNXBMFYSA-N 2 2 370.409 0.995 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000628104440 492465682 /nfs/dbraw/zinc/46/56/82/492465682.db2.gz SITJSVYSRSGRHX-HNNXBMFYSA-N 2 2 370.409 0.995 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000643477893 492474175 /nfs/dbraw/zinc/47/41/75/492474175.db2.gz MQKPRLFGSASYCI-GOEBONIOSA-N 2 2 364.515 0.978 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC(C)(C)C ZINC000635574124 492474860 /nfs/dbraw/zinc/47/48/60/492474860.db2.gz BVEYTPIJXNWTNL-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)CC(C)(C)C ZINC000635574124 492474863 /nfs/dbraw/zinc/47/48/63/492474863.db2.gz BVEYTPIJXNWTNL-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635579041 492475872 /nfs/dbraw/zinc/47/58/72/492475872.db2.gz WSEKDXVQOQQHCH-NVXWUHKLSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635579041 492475874 /nfs/dbraw/zinc/47/58/74/492475874.db2.gz WSEKDXVQOQQHCH-NVXWUHKLSA-N 2 2 364.490 0.053 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000643481061 492477269 /nfs/dbraw/zinc/47/72/69/492477269.db2.gz KXXJIJSEBTUXRI-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714372 492478552 /nfs/dbraw/zinc/47/85/52/492478552.db2.gz BRPNZIJTYYBDAY-SJLPKXTDSA-N 3 2 352.523 0.807 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655714372 492478553 /nfs/dbraw/zinc/47/85/53/492478553.db2.gz BRPNZIJTYYBDAY-SJLPKXTDSA-N 3 2 352.523 0.807 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC[C@@H]1[NH3+] ZINC000643516510 492487458 /nfs/dbraw/zinc/48/74/58/492487458.db2.gz IJEZDEYPMWIXSH-JZXOWHBKSA-N 2 2 373.501 0.873 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC[C@H]1[NH3+] ZINC000643532355 492492174 /nfs/dbraw/zinc/49/21/74/492492174.db2.gz IBGMJFWEZTYTCA-LSDHHAIUSA-N 2 2 360.462 0.019 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)cc[nH+]1 ZINC000643532338 492492280 /nfs/dbraw/zinc/49/22/80/492492280.db2.gz DPEDELDFBNKHBV-HRCADAONSA-N 2 2 372.473 0.019 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000643541504 492494363 /nfs/dbraw/zinc/49/43/63/492494363.db2.gz QSTLEGSCEHRKGX-MRXNPFEDSA-N 2 2 359.474 0.495 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000643592728 492503027 /nfs/dbraw/zinc/50/30/27/492503027.db2.gz BOUDJSPGFZFQDJ-OAHLLOKOSA-N 2 2 362.474 0.453 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649277519 492517784 /nfs/dbraw/zinc/51/77/84/492517784.db2.gz BVIQDHQCUKMTPB-IRXDYDNUSA-N 2 2 370.457 0.443 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649277519 492517785 /nfs/dbraw/zinc/51/77/85/492517785.db2.gz BVIQDHQCUKMTPB-IRXDYDNUSA-N 2 2 370.457 0.443 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nnn1C1CC[NH2+]CC1 ZINC000649279479 492519047 /nfs/dbraw/zinc/51/90/47/492519047.db2.gz SOIPOZLTXROWPL-MRXNPFEDSA-N 2 2 362.478 0.448 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000623166786 492523469 /nfs/dbraw/zinc/52/34/69/492523469.db2.gz QLOQNGFLEYXXHZ-CQSZACIVSA-N 2 2 362.430 0.742 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000623166786 492523472 /nfs/dbraw/zinc/52/34/72/492523472.db2.gz QLOQNGFLEYXXHZ-CQSZACIVSA-N 2 2 362.430 0.742 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)c[nH+]2)CCO1 ZINC000649289240 492524025 /nfs/dbraw/zinc/52/40/25/492524025.db2.gz CXMOBGGZCKZDOO-UKRRQHHQSA-N 2 2 371.445 0.363 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649293756 492525216 /nfs/dbraw/zinc/52/52/16/492525216.db2.gz IHLQAANQQNSSAH-GJZGRUSLSA-N 2 2 372.460 0.776 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649319942 492532227 /nfs/dbraw/zinc/53/22/27/492532227.db2.gz DFOAGOLFXOSKSZ-INIZCTEOSA-N 2 2 370.457 0.779 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000649335604 492537777 /nfs/dbraw/zinc/53/77/77/492537777.db2.gz NIOZSRHEQUJHCF-MOPGFXCFSA-N 2 2 358.486 0.224 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000649335604 492537779 /nfs/dbraw/zinc/53/77/79/492537779.db2.gz NIOZSRHEQUJHCF-MOPGFXCFSA-N 2 2 358.486 0.224 20 0 FCADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000649356142 492547032 /nfs/dbraw/zinc/54/70/32/492547032.db2.gz NEPNVRAONQXBTL-ROUUACIJSA-N 2 2 371.485 0.469 20 0 FCADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000649356142 492547036 /nfs/dbraw/zinc/54/70/36/492547036.db2.gz NEPNVRAONQXBTL-ROUUACIJSA-N 2 2 371.485 0.469 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000656086694 492547986 /nfs/dbraw/zinc/54/79/86/492547986.db2.gz HONQKRIARXKYOS-IYBDPMFKSA-N 2 2 368.522 0.233 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000656086694 492547992 /nfs/dbraw/zinc/54/79/92/492547992.db2.gz HONQKRIARXKYOS-IYBDPMFKSA-N 2 2 368.522 0.233 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649409732 492551626 /nfs/dbraw/zinc/55/16/26/492551626.db2.gz ORIMQPVCQSDLEC-UHFFFAOYSA-N 3 2 373.545 0.476 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCN3CC[NH2+]CC3)CC2)c1 ZINC000649409732 492551628 /nfs/dbraw/zinc/55/16/28/492551628.db2.gz ORIMQPVCQSDLEC-UHFFFAOYSA-N 3 2 373.545 0.476 20 0 FCADLP O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000649419531 492553695 /nfs/dbraw/zinc/55/36/95/492553695.db2.gz UKDJKBMDGBKGEW-PXNSSMCTSA-N 2 2 372.513 0.819 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cnn1C ZINC000643781850 492556388 /nfs/dbraw/zinc/55/63/88/492556388.db2.gz MXVWOUFIEHVBRK-SJORKVTESA-N 2 2 369.473 0.479 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000656312652 492586737 /nfs/dbraw/zinc/58/67/37/492586737.db2.gz WZPRBKKVPHBDBW-JKSUJKDBSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467329 492594159 /nfs/dbraw/zinc/59/41/59/492594159.db2.gz HBKGLJRBXVEXJH-FUHWJXTLSA-N 2 2 369.469 0.884 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000636467329 492594163 /nfs/dbraw/zinc/59/41/63/492594163.db2.gz HBKGLJRBXVEXJH-FUHWJXTLSA-N 2 2 369.469 0.884 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360619 492612694 /nfs/dbraw/zinc/61/26/94/492612694.db2.gz UJJCIZFVQRJOLU-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360619 492612698 /nfs/dbraw/zinc/61/26/98/492612698.db2.gz UJJCIZFVQRJOLU-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000656536691 492631877 /nfs/dbraw/zinc/63/18/77/492631877.db2.gz RAGNYEWFAOENFO-UHFFFAOYSA-N 2 2 354.495 0.509 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000656545414 492632367 /nfs/dbraw/zinc/63/23/67/492632367.db2.gz MGJVXNXJZFZOPY-UHFFFAOYSA-N 2 2 361.490 0.925 20 0 FCADLP COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629574338 492651896 /nfs/dbraw/zinc/65/18/96/492651896.db2.gz HAHMAKWTRNXLPW-INIZCTEOSA-N 2 2 356.488 0.653 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1c1[nH+]ccn1C ZINC000624611625 492665821 /nfs/dbraw/zinc/66/58/21/492665821.db2.gz XLEUJVHMKVQPOU-RCBQFDQVSA-N 2 2 361.446 0.061 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H]1c1[nH+]ccn1C ZINC000624611625 492665827 /nfs/dbraw/zinc/66/58/27/492665827.db2.gz XLEUJVHMKVQPOU-RCBQFDQVSA-N 2 2 361.446 0.061 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000629800026 492678473 /nfs/dbraw/zinc/67/84/73/492678473.db2.gz WNFIKOSPHJPKDD-UHFFFAOYSA-N 2 2 361.490 0.954 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000629804491 492681505 /nfs/dbraw/zinc/68/15/05/492681505.db2.gz UYTDKLPLVXOGGP-MRXNPFEDSA-N 2 2 362.474 0.153 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000629804491 492681508 /nfs/dbraw/zinc/68/15/08/492681508.db2.gz UYTDKLPLVXOGGP-MRXNPFEDSA-N 2 2 362.474 0.153 20 0 FCADLP C[N@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCC1 ZINC000629962226 492710371 /nfs/dbraw/zinc/71/03/71/492710371.db2.gz COUSPALTFNXYAA-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CCC1 ZINC000629962226 492710377 /nfs/dbraw/zinc/71/03/77/492710377.db2.gz COUSPALTFNXYAA-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCC1 ZINC000629962226 492710381 /nfs/dbraw/zinc/71/03/81/492710381.db2.gz COUSPALTFNXYAA-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CCC1 ZINC000629962226 492710384 /nfs/dbraw/zinc/71/03/84/492710384.db2.gz COUSPALTFNXYAA-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657364489 492749663 /nfs/dbraw/zinc/74/96/63/492749663.db2.gz WLTZYBVCRACIDX-ZDUSSCGKSA-N 2 2 361.412 0.935 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1[nH+]ccn1C ZINC000625317771 492756272 /nfs/dbraw/zinc/75/62/72/492756272.db2.gz KEYHLQJXQWMUDA-KBMXLJTQSA-N 2 2 361.446 0.015 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000657529018 492758004 /nfs/dbraw/zinc/75/80/04/492758004.db2.gz BQNXJUMDWBQNNG-MRXNPFEDSA-N 2 2 357.458 0.427 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657587089 492763835 /nfs/dbraw/zinc/76/38/35/492763835.db2.gz PXPJEONPXJYFMG-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000644519799 492780920 /nfs/dbraw/zinc/78/09/20/492780920.db2.gz UVKKBWSZSFIJGQ-KRWDZBQOSA-N 2 2 363.483 0.917 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000644519799 492780923 /nfs/dbraw/zinc/78/09/23/492780923.db2.gz UVKKBWSZSFIJGQ-KRWDZBQOSA-N 2 2 363.483 0.917 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741669 492787354 /nfs/dbraw/zinc/78/73/54/492787354.db2.gz PPWZUUQWSVKCEJ-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000631161760 492800940 /nfs/dbraw/zinc/80/09/40/492800940.db2.gz UOMOSRHNUQWVKZ-QGZVFWFLSA-N 2 2 372.473 0.879 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Cn4cccn4)on3)C2)CC1 ZINC000644795761 492808162 /nfs/dbraw/zinc/80/81/62/492808162.db2.gz HSSXYSMFIMVQPW-AWEZNQCLSA-N 2 2 358.446 0.818 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Cn4cccn4)on3)C2)CC1 ZINC000644795761 492808164 /nfs/dbraw/zinc/80/81/64/492808164.db2.gz HSSXYSMFIMVQPW-AWEZNQCLSA-N 2 2 358.446 0.818 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cc2[nH+]1 ZINC000657926407 492815266 /nfs/dbraw/zinc/81/52/66/492815266.db2.gz GLNHUIJGUPYNCM-UHFFFAOYSA-N 2 2 372.473 0.723 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2[nH+]1 ZINC000657926407 492815269 /nfs/dbraw/zinc/81/52/69/492815269.db2.gz GLNHUIJGUPYNCM-UHFFFAOYSA-N 2 2 372.473 0.723 20 0 FCADLP CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000644902201 492821796 /nfs/dbraw/zinc/82/17/96/492821796.db2.gz AJRAXIOVLUEXFW-UHFFFAOYSA-N 2 2 351.476 0.825 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](CCCO)C3)cc2[nH+]1 ZINC000657982296 492825010 /nfs/dbraw/zinc/82/50/10/492825010.db2.gz ZNSFJMAUEAJJFE-OAHLLOKOSA-N 2 2 359.430 0.544 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)cc2[nH+]1 ZINC000657982296 492825013 /nfs/dbraw/zinc/82/50/13/492825013.db2.gz ZNSFJMAUEAJJFE-OAHLLOKOSA-N 2 2 359.430 0.544 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](n4ccnn4)C3)C2)CC1 ZINC000644936024 492830514 /nfs/dbraw/zinc/83/05/14/492830514.db2.gz ZKZQJRFMVGQJGA-WBVHZDCISA-N 2 2 361.494 0.793 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](n4ccnn4)C3)C2)CC1 ZINC000644936024 492830517 /nfs/dbraw/zinc/83/05/17/492830517.db2.gz ZKZQJRFMVGQJGA-WBVHZDCISA-N 2 2 361.494 0.793 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000637451359 492834155 /nfs/dbraw/zinc/83/41/55/492834155.db2.gz MHTHGRKEVHOUND-OWCLPIDISA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000637451359 492834161 /nfs/dbraw/zinc/83/41/61/492834161.db2.gz MHTHGRKEVHOUND-OWCLPIDISA-N 2 2 374.551 0.620 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000631717602 492840016 /nfs/dbraw/zinc/84/00/16/492840016.db2.gz HHYAXGXZWMJHSE-UHFFFAOYSA-N 2 2 354.476 0.432 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856775 492864737 /nfs/dbraw/zinc/86/47/37/492864737.db2.gz AQCYADPYQIBXFU-LSDHHAIUSA-N 2 2 369.487 0.508 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856775 492864739 /nfs/dbraw/zinc/86/47/39/492864739.db2.gz AQCYADPYQIBXFU-LSDHHAIUSA-N 2 2 369.487 0.508 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000637864312 492873136 /nfs/dbraw/zinc/87/31/36/492873136.db2.gz PMVJKQORYURIQK-AAEUAGOBSA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000637864312 492873140 /nfs/dbraw/zinc/87/31/40/492873140.db2.gz PMVJKQORYURIQK-AAEUAGOBSA-N 2 2 352.385 0.419 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cn2cc[nH+]c12 ZINC000658423363 492882148 /nfs/dbraw/zinc/88/21/48/492882148.db2.gz MUMHLTCLAMKCGK-ZIAGYGMSSA-N 2 2 359.430 0.807 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cn2cc[nH+]c12 ZINC000658423363 492882149 /nfs/dbraw/zinc/88/21/49/492882149.db2.gz MUMHLTCLAMKCGK-ZIAGYGMSSA-N 2 2 359.430 0.807 20 0 FCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000638053792 492896243 /nfs/dbraw/zinc/89/62/43/492896243.db2.gz BRCGJIIQWKSSIJ-RDTXWAMCSA-N 2 2 374.485 0.376 20 0 FCADLP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638051684 492896962 /nfs/dbraw/zinc/89/69/62/492896962.db2.gz OMEDAMWTMQOLCK-KGLIPLIRSA-N 2 2 350.488 0.822 20 0 FCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC000652356425 492914514 /nfs/dbraw/zinc/91/45/14/492914514.db2.gz JAKUIXBUMXXLQB-CRAIPNDOSA-N 2 2 364.465 0.770 20 0 FCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC000652356425 492914517 /nfs/dbraw/zinc/91/45/17/492914517.db2.gz JAKUIXBUMXXLQB-CRAIPNDOSA-N 2 2 364.465 0.770 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658500183 492915152 /nfs/dbraw/zinc/91/51/52/492915152.db2.gz GKRBWUWXNDUHNB-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658500181 492915339 /nfs/dbraw/zinc/91/53/39/492915339.db2.gz GKRBWUWXNDUHNB-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000652359326 492916249 /nfs/dbraw/zinc/91/62/49/492916249.db2.gz DSBDXZLJBKEKQE-GOEBONIOSA-N 2 2 359.536 0.861 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000652370673 492918541 /nfs/dbraw/zinc/91/85/41/492918541.db2.gz JLDXGQGKNINHSJ-USXIJHARSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000652370673 492918544 /nfs/dbraw/zinc/91/85/44/492918544.db2.gz JLDXGQGKNINHSJ-USXIJHARSA-N 2 2 363.506 0.608 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC2(C)CC[NH2+]CC2)[C@H]1c1[nH+]ccn1C ZINC000638161769 492919924 /nfs/dbraw/zinc/91/99/24/492919924.db2.gz IYDXQRBPBHZRHY-GJZGRUSLSA-N 2 2 363.462 0.214 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181180 492920819 /nfs/dbraw/zinc/92/08/19/492920819.db2.gz XJUDZKPIIHPKTB-APWZRJJASA-N 2 2 350.459 0.979 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181180 492920823 /nfs/dbraw/zinc/92/08/23/492920823.db2.gz XJUDZKPIIHPKTB-APWZRJJASA-N 2 2 350.459 0.979 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(CC)[C@H]2c2[nH+]ccn2C)CC[C@H]1[NH3+] ZINC000638207153 492921802 /nfs/dbraw/zinc/92/18/02/492921802.db2.gz MWLCYUPZFWGBMD-RRCSTGOVSA-N 2 2 363.462 0.294 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658514136 492921980 /nfs/dbraw/zinc/92/19/80/492921980.db2.gz HPFDUWAMXJDFCW-DOTOQJQBSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000632099558 492929381 /nfs/dbraw/zinc/92/93/81/492929381.db2.gz LGKMNKAPQYSOGU-SJORKVTESA-N 2 2 369.535 0.733 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638320163 492934757 /nfs/dbraw/zinc/93/47/57/492934757.db2.gz XKSZWUYFLNMBKP-ZOBUZTSGSA-N 2 2 353.442 0.169 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638320163 492934758 /nfs/dbraw/zinc/93/47/58/492934758.db2.gz XKSZWUYFLNMBKP-ZOBUZTSGSA-N 2 2 353.442 0.169 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000632137663 492937056 /nfs/dbraw/zinc/93/70/56/492937056.db2.gz FYMUAMZRHQDFIU-INIZCTEOSA-N 2 2 367.519 0.217 20 0 FCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000638406114 492943310 /nfs/dbraw/zinc/94/33/10/492943310.db2.gz FOAXHDSUBCONQR-HLNWXESRSA-N 2 2 359.470 0.865 20 0 FCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000638406114 492943314 /nfs/dbraw/zinc/94/33/14/492943314.db2.gz FOAXHDSUBCONQR-HLNWXESRSA-N 2 2 359.470 0.865 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638439421 492947421 /nfs/dbraw/zinc/94/74/21/492947421.db2.gz HAAKRLRZCFNSMO-UHFFFAOYSA-N 2 2 367.251 0.355 20 0 FCADLP CN1CC[NH+](CC2(C)CCN(S(=O)(=O)CC3([NH+](C)C)CC3)CC2)CC1 ZINC000632207278 492950714 /nfs/dbraw/zinc/95/07/14/492950714.db2.gz XTHIQSQZFQWXPH-UHFFFAOYSA-N 2 2 372.579 0.760 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)CC1 ZINC000632207278 492950718 /nfs/dbraw/zinc/95/07/18/492950718.db2.gz XTHIQSQZFQWXPH-UHFFFAOYSA-N 2 2 372.579 0.760 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652527813 492961839 /nfs/dbraw/zinc/96/18/39/492961839.db2.gz AWYBLTXMABCQBL-LJQANCHMSA-N 2 2 370.497 0.678 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@H](Cc2ccccc2)C1 ZINC000652527813 492961842 /nfs/dbraw/zinc/96/18/42/492961842.db2.gz AWYBLTXMABCQBL-LJQANCHMSA-N 2 2 370.497 0.678 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000652529303 492962573 /nfs/dbraw/zinc/96/25/73/492962573.db2.gz KADNIKAGIQRRPH-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000652529303 492962578 /nfs/dbraw/zinc/96/25/78/492962578.db2.gz KADNIKAGIQRRPH-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652529303 492962584 /nfs/dbraw/zinc/96/25/84/492962584.db2.gz KADNIKAGIQRRPH-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652529303 492962589 /nfs/dbraw/zinc/96/25/89/492962589.db2.gz KADNIKAGIQRRPH-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529257 492963466 /nfs/dbraw/zinc/96/34/66/492963466.db2.gz IZUUPBPWEQBJBF-KRWDZBQOSA-N 2 2 367.453 0.611 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)[C@@H](Cc2ccccc2)C1 ZINC000652529257 492963469 /nfs/dbraw/zinc/96/34/69/492963469.db2.gz IZUUPBPWEQBJBF-KRWDZBQOSA-N 2 2 367.453 0.611 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000638747985 492975266 /nfs/dbraw/zinc/97/52/66/492975266.db2.gz FTQWZWRTXRVKMZ-KGLIPLIRSA-N 2 2 359.517 0.863 20 0 FCADLP COc1cc(C[C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000638871546 492983563 /nfs/dbraw/zinc/98/35/63/492983563.db2.gz MIRDXISTADXDIM-DOTOQJQBSA-N 2 2 362.474 0.544 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000652678596 492987360 /nfs/dbraw/zinc/98/73/60/492987360.db2.gz INFKUYUOENURFE-UHFFFAOYSA-N 2 2 359.474 0.804 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1(C)C ZINC000632390965 492988808 /nfs/dbraw/zinc/98/88/08/492988808.db2.gz OQZUOGKXZYYUII-HNNXBMFYSA-N 2 2 369.535 0.770 20 0 FCADLP O=C(N1CC[NH+](CCc2cnccn2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000639002964 492991274 /nfs/dbraw/zinc/99/12/74/492991274.db2.gz CBOZBRUJSAEHHU-UHFFFAOYSA-N 2 2 369.473 0.139 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000639057207 492993604 /nfs/dbraw/zinc/99/36/04/492993604.db2.gz FNUVAMLTAPGETF-IBGZPJMESA-N 2 2 361.486 0.914 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000639057207 492993606 /nfs/dbraw/zinc/99/36/06/492993606.db2.gz FNUVAMLTAPGETF-IBGZPJMESA-N 2 2 361.486 0.914 20 0 FCADLP CC[C@@]1(O)CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000632424147 492995331 /nfs/dbraw/zinc/99/53/31/492995331.db2.gz FELJMTFXEMPXLG-LJQANCHMSA-N 2 2 368.522 0.234 20 0 FCADLP CC[C@@]1(O)CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000632424147 492995333 /nfs/dbraw/zinc/99/53/33/492995333.db2.gz FELJMTFXEMPXLG-LJQANCHMSA-N 2 2 368.522 0.234 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710777 492997453 /nfs/dbraw/zinc/99/74/53/492997453.db2.gz ABQREQVTZQKPHY-INIZCTEOSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710777 492997455 /nfs/dbraw/zinc/99/74/55/492997455.db2.gz ABQREQVTZQKPHY-INIZCTEOSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000652736747 493013301 /nfs/dbraw/zinc/01/33/01/493013301.db2.gz OGADTYXETYMYKP-NZSAHSFTSA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000652736747 493013308 /nfs/dbraw/zinc/01/33/08/493013308.db2.gz OGADTYXETYMYKP-NZSAHSFTSA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000652736607 493013741 /nfs/dbraw/zinc/01/37/41/493013741.db2.gz JPLPIHGRQIXYAO-NUJGCVRESA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000652736607 493013744 /nfs/dbraw/zinc/01/37/44/493013744.db2.gz JPLPIHGRQIXYAO-NUJGCVRESA-N 2 2 358.486 0.581 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530503 493017303 /nfs/dbraw/zinc/01/73/03/493017303.db2.gz AMKAKINBKTVSIG-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530503 493017305 /nfs/dbraw/zinc/01/73/05/493017305.db2.gz AMKAKINBKTVSIG-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639530503 493017309 /nfs/dbraw/zinc/01/73/09/493017309.db2.gz AMKAKINBKTVSIG-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639530503 493017311 /nfs/dbraw/zinc/01/73/11/493017311.db2.gz AMKAKINBKTVSIG-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530505 493017945 /nfs/dbraw/zinc/01/79/45/493017945.db2.gz AMKAKINBKTVSIG-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530505 493017949 /nfs/dbraw/zinc/01/79/49/493017949.db2.gz AMKAKINBKTVSIG-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639530505 493017954 /nfs/dbraw/zinc/01/79/54/493017954.db2.gz AMKAKINBKTVSIG-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639530505 493017958 /nfs/dbraw/zinc/01/79/58/493017958.db2.gz AMKAKINBKTVSIG-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCn4c[nH+]cc4C3)CC2)c1 ZINC000658714726 493024627 /nfs/dbraw/zinc/02/46/27/493024627.db2.gz OBFPAPXWJUDLQU-UHFFFAOYSA-N 2 2 354.414 0.278 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)C[C@H]3CO)CC2)c1 ZINC000639868948 493062030 /nfs/dbraw/zinc/06/20/30/493062030.db2.gz PXEOISRLWANIGD-IBGZPJMESA-N 2 2 360.502 0.248 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)C[C@H]3CO)CC2)c1 ZINC000639868948 493062037 /nfs/dbraw/zinc/06/20/37/493062037.db2.gz PXEOISRLWANIGD-IBGZPJMESA-N 2 2 360.502 0.248 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(C)CCOCC[NH3+])cc1 ZINC000626925209 493065109 /nfs/dbraw/zinc/06/51/09/493065109.db2.gz HLPSTJCYFOFUAN-GOSISDBHSA-N 2 2 364.490 0.985 20 0 FCADLP Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1C ZINC000653061624 493065210 /nfs/dbraw/zinc/06/52/10/493065210.db2.gz WYJMWCJSOHWBEP-CQSZACIVSA-N 2 2 356.492 0.771 20 0 FCADLP CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653059183 493065399 /nfs/dbraw/zinc/06/53/99/493065399.db2.gz YBUKNMQKDXSOGD-CQSZACIVSA-N 2 2 364.446 0.524 20 0 FCADLP CC[C@]1(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)CCC(=O)NC1=O ZINC000653065092 493065483 /nfs/dbraw/zinc/06/54/83/493065483.db2.gz SSCHFMDHOPPJMX-HNAYVOBHSA-N 2 2 360.458 0.989 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000653064014 493065556 /nfs/dbraw/zinc/06/55/56/493065556.db2.gz BSTNPEQTGKSSPS-CYBMUJFWSA-N 2 2 362.883 0.014 20 0 FCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000653069071 493066263 /nfs/dbraw/zinc/06/62/63/493066263.db2.gz BAHNGFVKZZMNKD-CXAGYDPISA-N 2 2 362.474 0.800 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000653073457 493067149 /nfs/dbraw/zinc/06/71/49/493067149.db2.gz AFWACROCQSIBIF-MRXNPFEDSA-N 2 2 368.503 0.366 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000626943736 493068446 /nfs/dbraw/zinc/06/84/46/493068446.db2.gz HXKSNJRTJOCWPT-ZWKOTPCHSA-N 2 2 362.474 0.656 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000653098356 493069736 /nfs/dbraw/zinc/06/97/36/493069736.db2.gz KRYYEXLUQPDXRT-IUODEOHRSA-N 2 2 360.380 0.801 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653107246 493070576 /nfs/dbraw/zinc/07/05/76/493070576.db2.gz BPOIOKGYXBBEDS-CABCVRRESA-N 2 2 355.446 0.543 20 0 FCADLP C[C@@H]1CN(Cc2csc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000653107591 493070784 /nfs/dbraw/zinc/07/07/84/493070784.db2.gz PRNOXFHTVLMZEN-MBNYWOFBSA-N 2 2 355.508 0.970 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124442 493075143 /nfs/dbraw/zinc/07/51/43/493075143.db2.gz YSSRBAZKOYZZDP-LSDHHAIUSA-N 3 2 353.536 0.432 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000653147825 493077240 /nfs/dbraw/zinc/07/72/40/493077240.db2.gz BIFNXPMPHURXBV-GOSISDBHSA-N 3 2 363.506 0.412 20 0 FCADLP C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653161115 493080217 /nfs/dbraw/zinc/08/02/17/493080217.db2.gz DITQLMMJHPWHSX-UKRRQHHQSA-N 2 2 356.492 0.139 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)CN1CCOCC1 ZINC000640049549 493080525 /nfs/dbraw/zinc/08/05/25/493080525.db2.gz OYEDRFONVMGTAV-VJANTYMQSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)CN1CCOCC1 ZINC000640049549 493080529 /nfs/dbraw/zinc/08/05/29/493080529.db2.gz OYEDRFONVMGTAV-VJANTYMQSA-N 2 2 352.523 0.186 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COCc1ccccc1Cl ZINC000640049265 493080686 /nfs/dbraw/zinc/08/06/86/493080686.db2.gz KYLHZIKUCPXEBG-INIZCTEOSA-N 2 2 369.893 0.923 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COCc1ccccc1Cl ZINC000640049265 493080687 /nfs/dbraw/zinc/08/06/87/493080687.db2.gz KYLHZIKUCPXEBG-INIZCTEOSA-N 2 2 369.893 0.923 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC000640091793 493082639 /nfs/dbraw/zinc/08/26/39/493082639.db2.gz OWKJOXXCSAQFGQ-ZACQAIPSSA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC000640091793 493082643 /nfs/dbraw/zinc/08/26/43/493082643.db2.gz OWKJOXXCSAQFGQ-ZACQAIPSSA-N 2 2 353.507 0.839 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1CC[NH3+] ZINC000653239611 493084911 /nfs/dbraw/zinc/08/49/11/493084911.db2.gz CIQJQVCGONSCNQ-IKGGRYGDSA-N 2 2 366.506 0.143 20 0 FCADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632843035 493093321 /nfs/dbraw/zinc/09/33/21/493093321.db2.gz DCWDXWZTZGOKLZ-UHFFFAOYSA-N 2 2 358.490 0.973 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000653352578 493097405 /nfs/dbraw/zinc/09/74/05/493097405.db2.gz DGNXQCBIMMHILH-HNNXBMFYSA-N 2 2 350.463 0.943 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224926 493109413 /nfs/dbraw/zinc/10/94/13/493109413.db2.gz QLTGHITXVLXQHQ-SJORKVTESA-N 2 2 363.462 0.042 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224926 493109420 /nfs/dbraw/zinc/10/94/20/493109420.db2.gz QLTGHITXVLXQHQ-SJORKVTESA-N 2 2 363.462 0.042 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CC2 ZINC000646840356 493110541 /nfs/dbraw/zinc/11/05/41/493110541.db2.gz KXDGKXWTTMUXMM-SCLBCKFNSA-N 2 2 363.458 0.637 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CC2 ZINC000646840356 493110545 /nfs/dbraw/zinc/11/05/45/493110545.db2.gz KXDGKXWTTMUXMM-SCLBCKFNSA-N 2 2 363.458 0.637 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000627227217 493110959 /nfs/dbraw/zinc/11/09/59/493110959.db2.gz FGXJZFFAPKIQIW-OAHLLOKOSA-N 2 2 359.434 0.433 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000646845768 493111392 /nfs/dbraw/zinc/11/13/92/493111392.db2.gz MDJGDXWKBKMMLZ-MPGHIAIKSA-N 2 2 364.465 0.911 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000627232474 493113360 /nfs/dbraw/zinc/11/33/60/493113360.db2.gz CVBMIAKXGGKIPL-GDBMZVCRSA-N 2 2 357.418 0.570 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000653398757 493120050 /nfs/dbraw/zinc/12/00/50/493120050.db2.gz QUFWWTBDGCXBJT-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000653398757 493120055 /nfs/dbraw/zinc/12/00/55/493120055.db2.gz QUFWWTBDGCXBJT-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633099686 493124994 /nfs/dbraw/zinc/12/49/94/493124994.db2.gz CKLLEUMGJZLRBH-BMFZPTHFSA-N 2 2 362.499 0.916 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000659027345 493127534 /nfs/dbraw/zinc/12/75/34/493127534.db2.gz YTDOZDUEMVEEAL-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000659027345 493127537 /nfs/dbraw/zinc/12/75/37/493127537.db2.gz YTDOZDUEMVEEAL-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633116297 493132547 /nfs/dbraw/zinc/13/25/47/493132547.db2.gz RPEVIHVHZUIKQL-GDBMZVCRSA-N 2 2 360.458 0.288 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000633117385 493133121 /nfs/dbraw/zinc/13/31/21/493133121.db2.gz CJJDDYLITSPDEY-HIFRSBDPSA-N 2 2 359.474 0.874 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)Cn1cc(C[N@H+](C)CCO)nn1)c1ccccc1 ZINC000640836784 493134634 /nfs/dbraw/zinc/13/46/34/493134634.db2.gz KHZIAOGKARSBSU-QGZVFWFLSA-N 2 2 360.462 0.121 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)Cn1cc(C[N@@H+](C)CCO)nn1)c1ccccc1 ZINC000640836784 493134635 /nfs/dbraw/zinc/13/46/35/493134635.db2.gz KHZIAOGKARSBSU-QGZVFWFLSA-N 2 2 360.462 0.121 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000646977505 493139043 /nfs/dbraw/zinc/13/90/43/493139043.db2.gz YHJVKYSGMJDPLF-MRXNPFEDSA-N 2 2 357.458 0.936 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000646977505 493139047 /nfs/dbraw/zinc/13/90/47/493139047.db2.gz YHJVKYSGMJDPLF-MRXNPFEDSA-N 2 2 357.458 0.936 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@H](C)CO1 ZINC000659094444 493148843 /nfs/dbraw/zinc/14/88/43/493148843.db2.gz MDJVYGMQMAORAN-ZIAGYGMSSA-N 2 2 364.446 0.188 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@H](C)CO1 ZINC000659094444 493148844 /nfs/dbraw/zinc/14/88/44/493148844.db2.gz MDJVYGMQMAORAN-ZIAGYGMSSA-N 2 2 364.446 0.188 20 0 FCADLP Cc1cccn2cc(Cn3cc(CNC(=O)C4CC[NH2+]CC4)nn3)[nH+]c12 ZINC000640952298 493153739 /nfs/dbraw/zinc/15/37/39/493153739.db2.gz GPJKCIOHVUFUBL-UHFFFAOYSA-N 2 2 353.430 0.898 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057232 493154584 /nfs/dbraw/zinc/15/45/84/493154584.db2.gz JFUVCCRAYHQKHH-GJZGRUSLSA-N 2 2 363.437 0.327 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)[nH+]c12 ZINC000627326967 493155765 /nfs/dbraw/zinc/15/57/65/493155765.db2.gz IDPBEMWHLDMWFS-MRXNPFEDSA-N 2 2 357.458 0.758 20 0 FCADLP C[NH+]1CCN(C[C@@H]2C[N@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551745 493158779 /nfs/dbraw/zinc/15/87/79/493158779.db2.gz WTIFBULJKFJRBT-RTWAWAEBSA-N 2 2 374.529 0.840 20 0 FCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551745 493158783 /nfs/dbraw/zinc/15/87/83/493158783.db2.gz WTIFBULJKFJRBT-RTWAWAEBSA-N 2 2 374.529 0.840 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)Cn2cc(CC[NH+]3CCOCC3)nn2)CC1 ZINC000641047912 493164235 /nfs/dbraw/zinc/16/42/35/493164235.db2.gz RSRUPLPZYMKQOK-UHFFFAOYSA-N 2 2 364.494 0.142 20 0 FCADLP CCN(CCOC)c1cccc(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)[nH+]1 ZINC000641169225 493174812 /nfs/dbraw/zinc/17/48/12/493174812.db2.gz HTYGQXVUIJTAQO-UHFFFAOYSA-N 2 2 370.461 0.898 20 0 FCADLP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659284248 493182874 /nfs/dbraw/zinc/18/28/74/493182874.db2.gz CTKDDFBRXUJOJY-WMLDXEAASA-N 2 2 358.446 0.256 20 0 FCADLP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659284248 493182881 /nfs/dbraw/zinc/18/28/81/493182881.db2.gz CTKDDFBRXUJOJY-WMLDXEAASA-N 2 2 358.446 0.256 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)Cn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000641224212 493185713 /nfs/dbraw/zinc/18/57/13/493185713.db2.gz WYABZFPXWUDETQ-MRXNPFEDSA-N 2 2 358.446 0.924 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)Cn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000641224212 493185718 /nfs/dbraw/zinc/18/57/18/493185718.db2.gz WYABZFPXWUDETQ-MRXNPFEDSA-N 2 2 358.446 0.924 20 0 FCADLP COCC[N@H+](C)C[C@H](O)Cn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000641224211 493186188 /nfs/dbraw/zinc/18/61/88/493186188.db2.gz WYABZFPXWUDETQ-INIZCTEOSA-N 2 2 358.446 0.924 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)Cn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000641224211 493186190 /nfs/dbraw/zinc/18/61/90/493186190.db2.gz WYABZFPXWUDETQ-INIZCTEOSA-N 2 2 358.446 0.924 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344512 493195730 /nfs/dbraw/zinc/19/57/30/493195730.db2.gz AWMNAZQZOGIEJN-HLLBOEOZSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000659344512 493195731 /nfs/dbraw/zinc/19/57/31/493195731.db2.gz AWMNAZQZOGIEJN-HLLBOEOZSA-N 2 2 366.506 0.249 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)CCC(=O)N1C ZINC000659529627 493205685 /nfs/dbraw/zinc/20/56/85/493205685.db2.gz LLSHIBMIEHOLCP-ZFWWWQNUSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1C ZINC000672593312 493211890 /nfs/dbraw/zinc/21/18/90/493211890.db2.gz KOXLIDFLCFSZTN-HUUCEWRRSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000672593312 493211895 /nfs/dbraw/zinc/21/18/95/493211895.db2.gz KOXLIDFLCFSZTN-HUUCEWRRSA-N 2 2 364.515 0.991 20 0 FCADLP CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637800 493220070 /nfs/dbraw/zinc/22/00/70/493220070.db2.gz CKHPRVOCTWDDDV-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637800 493220072 /nfs/dbraw/zinc/22/00/72/493220072.db2.gz CKHPRVOCTWDDDV-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000672637560 493220519 /nfs/dbraw/zinc/22/05/19/493220519.db2.gz JSTHAOSOALNGCF-KDOFPFPSSA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000672637560 493220523 /nfs/dbraw/zinc/22/05/23/493220523.db2.gz JSTHAOSOALNGCF-KDOFPFPSSA-N 2 2 368.547 0.673 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)C1 ZINC000659612448 493221164 /nfs/dbraw/zinc/22/11/64/493221164.db2.gz WZSWKFFAJJHYEA-OAHLLOKOSA-N 2 2 361.494 0.755 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)C1 ZINC000659612448 493221167 /nfs/dbraw/zinc/22/11/67/493221167.db2.gz WZSWKFFAJJHYEA-OAHLLOKOSA-N 2 2 361.494 0.755 20 0 FCADLP CC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638383 493221719 /nfs/dbraw/zinc/22/17/19/493221719.db2.gz FHIKFPGALSYVCD-KXBFYZLASA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638383 493221721 /nfs/dbraw/zinc/22/17/21/493221721.db2.gz FHIKFPGALSYVCD-KXBFYZLASA-N 2 2 366.506 0.035 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639536 493222869 /nfs/dbraw/zinc/22/28/69/493222869.db2.gz LQOKINGYYSFTFK-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672639536 493222871 /nfs/dbraw/zinc/22/28/71/493222871.db2.gz LQOKINGYYSFTFK-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3c3ccc[nH]3)C2)CC1 ZINC000672641211 493223228 /nfs/dbraw/zinc/22/32/28/493223228.db2.gz NNPRQYULRYDNNK-CRAIPNDOSA-N 2 2 373.501 0.963 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3c3ccc[nH]3)C2)CC1 ZINC000672641211 493223232 /nfs/dbraw/zinc/22/32/32/493223232.db2.gz NNPRQYULRYDNNK-CRAIPNDOSA-N 2 2 373.501 0.963 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000666758691 493223558 /nfs/dbraw/zinc/22/35/58/493223558.db2.gz ZOOUTKRILFHTMX-IAGOWNOFSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641273 493223673 /nfs/dbraw/zinc/22/36/73/493223673.db2.gz OXKVHXWHVWEZQO-RDJZCZTQSA-N 2 2 373.501 0.414 20 0 FCADLP C[C@@H](Cc1ccncc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641273 493223676 /nfs/dbraw/zinc/22/36/76/493223676.db2.gz OXKVHXWHVWEZQO-RDJZCZTQSA-N 2 2 373.501 0.414 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000672640559 493224912 /nfs/dbraw/zinc/22/49/12/493224912.db2.gz XIMIHKSPUZXRJA-HZPDHXFCSA-N 2 2 374.485 0.880 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000672640559 493224915 /nfs/dbraw/zinc/22/49/15/493224915.db2.gz XIMIHKSPUZXRJA-HZPDHXFCSA-N 2 2 374.485 0.880 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631895 493225100 /nfs/dbraw/zinc/22/51/00/493225100.db2.gz JTJMDGUXSVBHLJ-ZDUSSCGKSA-N 2 2 371.445 0.624 20 0 FCADLP C[C@H]1CSCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642635 493225556 /nfs/dbraw/zinc/22/55/56/493225556.db2.gz QUJQDTKUPQFXCM-HUUCEWRRSA-N 2 2 368.547 0.483 20 0 FCADLP C[C@H]1CSCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642635 493225560 /nfs/dbraw/zinc/22/55/60/493225560.db2.gz QUJQDTKUPQFXCM-HUUCEWRRSA-N 2 2 368.547 0.483 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000659633787 493226025 /nfs/dbraw/zinc/22/60/25/493226025.db2.gz YLKOTVZHPYLZHL-UHFFFAOYSA-N 2 2 357.418 0.063 20 0 FCADLP C[C@@H]1CSCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642636 493226153 /nfs/dbraw/zinc/22/61/53/493226153.db2.gz QUJQDTKUPQFXCM-LSDHHAIUSA-N 2 2 368.547 0.483 20 0 FCADLP C[C@@H]1CSCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642636 493226156 /nfs/dbraw/zinc/22/61/56/493226156.db2.gz QUJQDTKUPQFXCM-LSDHHAIUSA-N 2 2 368.547 0.483 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642353 493226494 /nfs/dbraw/zinc/22/64/94/493226494.db2.gz HMGJITPATHDUIH-GJZGRUSLSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642353 493226497 /nfs/dbraw/zinc/22/64/97/493226497.db2.gz HMGJITPATHDUIH-GJZGRUSLSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641607 493226705 /nfs/dbraw/zinc/22/67/05/493226705.db2.gz UNJZVLXOJIGFJR-DOTOQJQBSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1ccncc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641607 493226707 /nfs/dbraw/zinc/22/67/07/493226707.db2.gz UNJZVLXOJIGFJR-DOTOQJQBSA-N 2 2 373.501 0.886 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCCS3)C2)CC1 ZINC000672642579 493227052 /nfs/dbraw/zinc/22/70/52/493227052.db2.gz CWWGDXPCPLVAGL-GDBMZVCRSA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCCS3)C2)CC1 ZINC000672642579 493227054 /nfs/dbraw/zinc/22/70/54/493227054.db2.gz CWWGDXPCPLVAGL-GDBMZVCRSA-N 2 2 368.547 0.673 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC(=O)N1C ZINC000659642615 493227274 /nfs/dbraw/zinc/22/72/74/493227274.db2.gz XMNMTFCSAHHIIP-AYDFFVQHSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CCC[C@H](CC[NH3+])C2)CCC(=O)N1C ZINC000659641086 493227497 /nfs/dbraw/zinc/22/74/97/493227497.db2.gz LEYJJSHYQRQLEF-YCPHGPKFSA-N 2 2 362.478 0.852 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC(=O)N1C ZINC000659639068 493227528 /nfs/dbraw/zinc/22/75/28/493227528.db2.gz AACNNHAIMMVEMA-HOSILWTGSA-N 2 2 360.462 0.618 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000672696129 493234690 /nfs/dbraw/zinc/23/46/90/493234690.db2.gz NOCXPRFOWLTALU-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000672698479 493235499 /nfs/dbraw/zinc/23/54/99/493235499.db2.gz QWYMCDVYPKJEHL-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000672698479 493235502 /nfs/dbraw/zinc/23/55/02/493235502.db2.gz QWYMCDVYPKJEHL-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000666928693 493239023 /nfs/dbraw/zinc/23/90/23/493239023.db2.gz RELGKYGCQMKVMM-CQSZACIVSA-N 2 2 372.477 0.679 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000666928693 493239025 /nfs/dbraw/zinc/23/90/25/493239025.db2.gz RELGKYGCQMKVMM-CQSZACIVSA-N 2 2 372.477 0.679 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])[nH+]c12 ZINC000659687049 493253319 /nfs/dbraw/zinc/25/33/19/493253319.db2.gz PMPJBFUCTAINIE-CJNGLKHVSA-N 2 2 357.458 0.887 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000667156360 493261862 /nfs/dbraw/zinc/26/18/62/493261862.db2.gz IMOYAPJXNGIYHA-UKRRQHHQSA-N 2 2 366.466 0.450 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000667264319 493270501 /nfs/dbraw/zinc/27/05/01/493270501.db2.gz JKDRBPKHSYKWER-SFHVURJKSA-N 2 2 373.501 0.631 20 0 FCADLP COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672969699 493273401 /nfs/dbraw/zinc/27/34/01/493273401.db2.gz AEKOFNSAXHEXMA-CQSZACIVSA-N 2 2 361.446 0.313 20 0 FCADLP COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672969699 493273404 /nfs/dbraw/zinc/27/34/04/493273404.db2.gz AEKOFNSAXHEXMA-CQSZACIVSA-N 2 2 361.446 0.313 20 0 FCADLP CC(C)OCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673004777 493278895 /nfs/dbraw/zinc/27/88/95/493278895.db2.gz WIAKNVYZSZLTAT-INIZCTEOSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673004777 493278897 /nfs/dbraw/zinc/27/88/97/493278897.db2.gz WIAKNVYZSZLTAT-INIZCTEOSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000659747650 493283774 /nfs/dbraw/zinc/28/37/74/493283774.db2.gz GALFDPUFTWFRAD-RYQLBKOJSA-N 2 2 371.485 0.449 20 0 FCADLP COc1ncccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682269295 493284028 /nfs/dbraw/zinc/28/40/28/493284028.db2.gz JKHCZSAOSNTCHQ-CYBMUJFWSA-N 2 2 361.446 0.313 20 0 FCADLP COc1ncccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682269295 493284031 /nfs/dbraw/zinc/28/40/31/493284031.db2.gz JKHCZSAOSNTCHQ-CYBMUJFWSA-N 2 2 361.446 0.313 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)CC1 ZINC000682271041 493284507 /nfs/dbraw/zinc/28/45/07/493284507.db2.gz SRDWULNQDONGLL-OAHLLOKOSA-N 2 2 374.489 0.516 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)CC1 ZINC000682271041 493284509 /nfs/dbraw/zinc/28/45/09/493284509.db2.gz SRDWULNQDONGLL-OAHLLOKOSA-N 2 2 374.489 0.516 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682271224 493284522 /nfs/dbraw/zinc/28/45/22/493284522.db2.gz YWHSNXNXUHGMJW-HNNXBMFYSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682271224 493284525 /nfs/dbraw/zinc/28/45/25/493284525.db2.gz YWHSNXNXUHGMJW-HNNXBMFYSA-N 2 2 359.474 0.922 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000659816540 493292327 /nfs/dbraw/zinc/29/23/27/493292327.db2.gz QNWZHNULKQVUTC-KRWDZBQOSA-N 2 2 364.490 0.006 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144083 493294897 /nfs/dbraw/zinc/29/48/97/493294897.db2.gz PLVFWGOYNNCSGL-IRXDYDNUSA-N 2 2 368.522 0.401 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144083 493294899 /nfs/dbraw/zinc/29/48/99/493294899.db2.gz PLVFWGOYNNCSGL-IRXDYDNUSA-N 2 2 368.522 0.401 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144081 493294956 /nfs/dbraw/zinc/29/49/56/493294956.db2.gz PLVFWGOYNNCSGL-DLBZAZTESA-N 2 2 368.522 0.401 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144081 493294958 /nfs/dbraw/zinc/29/49/58/493294958.db2.gz PLVFWGOYNNCSGL-DLBZAZTESA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000659897977 493299870 /nfs/dbraw/zinc/29/98/70/493299870.db2.gz IAJHBYRCXVESIA-FCEWJHQRSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000659897977 493299872 /nfs/dbraw/zinc/29/98/72/493299872.db2.gz IAJHBYRCXVESIA-FCEWJHQRSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000659897977 493299874 /nfs/dbraw/zinc/29/98/74/493299874.db2.gz IAJHBYRCXVESIA-FCEWJHQRSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000659897977 493299877 /nfs/dbraw/zinc/29/98/77/493299877.db2.gz IAJHBYRCXVESIA-FCEWJHQRSA-N 2 2 366.506 0.108 20 0 FCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000659955266 493307720 /nfs/dbraw/zinc/30/77/20/493307720.db2.gz JRLDUBBMYHRRQC-INIZCTEOSA-N 2 2 353.488 0.749 20 0 FCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000659955266 493307723 /nfs/dbraw/zinc/30/77/23/493307723.db2.gz JRLDUBBMYHRRQC-INIZCTEOSA-N 2 2 353.488 0.749 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282543 493311648 /nfs/dbraw/zinc/31/16/48/493311648.db2.gz FNTPSNXHJHGQQU-GOEBONIOSA-N 2 2 353.426 0.617 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282543 493311652 /nfs/dbraw/zinc/31/16/52/493311652.db2.gz FNTPSNXHJHGQQU-GOEBONIOSA-N 2 2 353.426 0.617 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000673284840 493312334 /nfs/dbraw/zinc/31/23/34/493312334.db2.gz NPHWQUOFOPVJJI-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000673284840 493312336 /nfs/dbraw/zinc/31/23/36/493312336.db2.gz NPHWQUOFOPVJJI-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000673284840 493312338 /nfs/dbraw/zinc/31/23/38/493312338.db2.gz NPHWQUOFOPVJJI-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000673284840 493312339 /nfs/dbraw/zinc/31/23/39/493312339.db2.gz NPHWQUOFOPVJJI-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673303652 493315564 /nfs/dbraw/zinc/31/55/64/493315564.db2.gz LODHBBQDVNIPBP-CVEARBPZSA-N 2 2 368.441 0.837 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151949 493330755 /nfs/dbraw/zinc/33/07/55/493330755.db2.gz YFUUDAKATQZUJY-DLBZAZTESA-N 2 2 359.536 0.289 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683972759 493383171 /nfs/dbraw/zinc/38/31/71/493383171.db2.gz OMZXPHCAHMDCFQ-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683972759 493383175 /nfs/dbraw/zinc/38/31/75/493383175.db2.gz OMZXPHCAHMDCFQ-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000683972759 493383179 /nfs/dbraw/zinc/38/31/79/493383179.db2.gz OMZXPHCAHMDCFQ-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000683972759 493383182 /nfs/dbraw/zinc/38/31/82/493383182.db2.gz OMZXPHCAHMDCFQ-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC000668639684 493388534 /nfs/dbraw/zinc/38/85/34/493388534.db2.gz KUFVQIJUFAAVJT-DZOHQFGASA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC000668639684 493388537 /nfs/dbraw/zinc/38/85/37/493388537.db2.gz KUFVQIJUFAAVJT-DZOHQFGASA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000668649488 493390885 /nfs/dbraw/zinc/39/08/85/493390885.db2.gz WKKZWAGTOGJVSA-HNNXBMFYSA-N 2 2 374.489 0.492 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000668649488 493390887 /nfs/dbraw/zinc/39/08/87/493390887.db2.gz WKKZWAGTOGJVSA-HNNXBMFYSA-N 2 2 374.489 0.492 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036596 493403870 /nfs/dbraw/zinc/40/38/70/493403870.db2.gz KLLUHMMHXKWJLY-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036596 493403872 /nfs/dbraw/zinc/40/38/72/493403872.db2.gz KLLUHMMHXKWJLY-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP Cn1cc[nH+]c1N1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000668793305 493411938 /nfs/dbraw/zinc/41/19/38/493411938.db2.gz WPOLVICKEJZHLZ-UHFFFAOYSA-N 2 2 356.478 0.284 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000668793305 493411940 /nfs/dbraw/zinc/41/19/40/493411940.db2.gz WPOLVICKEJZHLZ-UHFFFAOYSA-N 3 2 356.478 0.284 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000674397300 493412999 /nfs/dbraw/zinc/41/29/99/493412999.db2.gz DLYGJSZSNYKPOY-AWEZNQCLSA-N 3 2 363.510 0.454 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000674397300 493413000 /nfs/dbraw/zinc/41/30/00/493413000.db2.gz DLYGJSZSNYKPOY-AWEZNQCLSA-N 3 2 363.510 0.454 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000684552062 493418730 /nfs/dbraw/zinc/41/87/30/493418730.db2.gz ILFPFCMGMWNPKZ-AWEZNQCLSA-N 2 2 368.503 0.375 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000684585231 493421791 /nfs/dbraw/zinc/42/17/91/493421791.db2.gz ZBDJYTBGFJFKMD-WFASDCNBSA-N 2 2 373.523 0.059 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684585231 493421794 /nfs/dbraw/zinc/42/17/94/493421794.db2.gz ZBDJYTBGFJFKMD-WFASDCNBSA-N 2 2 373.523 0.059 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000668892178 493429550 /nfs/dbraw/zinc/42/95/50/493429550.db2.gz YMEZYVSOZIDWEO-BBWFWOEESA-N 2 2 366.506 0.347 20 0 FCADLP CN(C)[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1c[nH+]cn1C ZINC000684830547 493433249 /nfs/dbraw/zinc/43/32/49/493433249.db2.gz IKYGKJRCVCGVLV-SFHVURJKSA-N 2 2 371.489 0.486 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3CC[NH+](C4CCOCC4)CC3)C[C@@H]21 ZINC000661444237 493437487 /nfs/dbraw/zinc/43/74/87/493437487.db2.gz VXYSAIDAWKQVMX-ZWKOTPCHSA-N 2 2 366.506 0.602 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3CC[NH+](C4CCOCC4)CC3)C[C@@H]21 ZINC000661444237 493437490 /nfs/dbraw/zinc/43/74/90/493437490.db2.gz VXYSAIDAWKQVMX-ZWKOTPCHSA-N 2 2 366.506 0.602 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000668942525 493442391 /nfs/dbraw/zinc/44/23/91/493442391.db2.gz IBMQVYZJLRCJHN-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1COCCO1 ZINC000661607010 493451672 /nfs/dbraw/zinc/45/16/72/493451672.db2.gz PNUGEEQCIKTMHL-GOSISDBHSA-N 2 2 363.458 0.805 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1COCCO1 ZINC000661607010 493451675 /nfs/dbraw/zinc/45/16/75/493451675.db2.gz PNUGEEQCIKTMHL-GOSISDBHSA-N 2 2 363.458 0.805 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000661675181 493456663 /nfs/dbraw/zinc/45/66/63/493456663.db2.gz HZNWLCMEZXPTJC-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000661675181 493456669 /nfs/dbraw/zinc/45/66/69/493456669.db2.gz HZNWLCMEZXPTJC-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP CN1CC[NH+](Cc2cncc(C[N@@H+]3CCC(=O)N(C)CC3)c2)CCC1=O ZINC000661805871 493466698 /nfs/dbraw/zinc/46/66/98/493466698.db2.gz UIBIJMVFJIVLMG-UHFFFAOYSA-N 2 2 359.474 0.410 20 0 FCADLP CN1CC[NH+](Cc2cncc(C[N@H+]3CCC(=O)N(C)CC3)c2)CCC1=O ZINC000661805871 493466701 /nfs/dbraw/zinc/46/67/01/493466701.db2.gz UIBIJMVFJIVLMG-UHFFFAOYSA-N 2 2 359.474 0.410 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669144369 493467728 /nfs/dbraw/zinc/46/77/28/493467728.db2.gz NSFXLYFSGROUFU-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000669144368 493467747 /nfs/dbraw/zinc/46/77/47/493467747.db2.gz NSFXLYFSGROUFU-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954777 493479677 /nfs/dbraw/zinc/47/96/77/493479677.db2.gz ZJWANIVPJCAHSX-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954777 493479678 /nfs/dbraw/zinc/47/96/78/493479678.db2.gz ZJWANIVPJCAHSX-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000685358125 493484864 /nfs/dbraw/zinc/48/48/64/493484864.db2.gz ODYXVKIMFVPWNM-INMHGKMJSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000685358125 493484865 /nfs/dbraw/zinc/48/48/65/493484865.db2.gz ODYXVKIMFVPWNM-INMHGKMJSA-N 2 2 371.485 0.789 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCc4c3cnn4CCO)cn2)CC1 ZINC000675551565 493488460 /nfs/dbraw/zinc/48/84/60/493488460.db2.gz KRGYVVPESGPDRE-KRWDZBQOSA-N 2 2 371.489 0.584 20 0 FCADLP COc1cccc(CC(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662252980 493499922 /nfs/dbraw/zinc/49/99/22/493499922.db2.gz FLCMQQVPBSILBT-SFHVURJKSA-N 2 2 359.470 0.903 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000669397236 493502236 /nfs/dbraw/zinc/50/22/36/493502236.db2.gz KHNZHPZQHQMFHH-YESZJQIVSA-N 2 2 373.505 0.367 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669405569 493502286 /nfs/dbraw/zinc/50/22/86/493502286.db2.gz VHHUPPISYISJAJ-BFYDXBDKSA-N 2 2 354.520 0.588 20 0 FCADLP Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286286 493502722 /nfs/dbraw/zinc/50/27/22/493502722.db2.gz YDTKQPKBOOXPTG-UHFFFAOYSA-N 2 2 368.865 0.407 20 0 FCADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285511 493502853 /nfs/dbraw/zinc/50/28/53/493502853.db2.gz CBXDIHZFKDQKQL-UHFFFAOYSA-N 2 2 357.401 0.951 20 0 FCADLP COc1cc(C)c([C@@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1OC ZINC000662287363 493502976 /nfs/dbraw/zinc/50/29/76/493502976.db2.gz YOCUWLFMWRLYPN-CQSZACIVSA-N 2 2 365.474 0.894 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C3(CO)CC[NH2+]CC3)CC2)c1 ZINC000662287220 493503212 /nfs/dbraw/zinc/50/32/12/493503212.db2.gz VCBVFVWONXZHBZ-UHFFFAOYSA-N 3 2 360.502 0.343 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292606 493503983 /nfs/dbraw/zinc/50/39/83/493503983.db2.gz OSQGCSLVHGWION-BMFZPTHFSA-N 2 2 357.520 0.390 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000662447745 493515844 /nfs/dbraw/zinc/51/58/44/493515844.db2.gz FKMAAKMSOYVGSB-HNNXBMFYSA-N 2 2 357.462 0.568 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000662447745 493515849 /nfs/dbraw/zinc/51/58/49/493515849.db2.gz FKMAAKMSOYVGSB-HNNXBMFYSA-N 2 2 357.462 0.568 20 0 FCADLP CCn1cc[nH+]c1CN1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662455863 493517386 /nfs/dbraw/zinc/51/73/86/493517386.db2.gz QLSBDAHAYIEANC-AWEZNQCLSA-N 2 2 357.462 0.661 20 0 FCADLP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000662466432 493518774 /nfs/dbraw/zinc/51/87/74/493518774.db2.gz XNVLJUSDBOTSCV-HNNXBMFYSA-N 2 2 368.503 0.237 20 0 FCADLP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000662481516 493519939 /nfs/dbraw/zinc/51/99/39/493519939.db2.gz HVKLORFJZAFPHT-YOEHRIQHSA-N 2 2 362.478 0.385 20 0 FCADLP C[N@H+](C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911343 493522590 /nfs/dbraw/zinc/52/25/90/493522590.db2.gz HEMWBUFNQGBEMC-QZTJIDSGSA-N 2 2 372.473 0.702 20 0 FCADLP C[N@@H+](C[C@@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911343 493522595 /nfs/dbraw/zinc/52/25/95/493522595.db2.gz HEMWBUFNQGBEMC-QZTJIDSGSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911343 493522598 /nfs/dbraw/zinc/52/25/98/493522598.db2.gz HEMWBUFNQGBEMC-QZTJIDSGSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911343 493522601 /nfs/dbraw/zinc/52/26/01/493522601.db2.gz HEMWBUFNQGBEMC-QZTJIDSGSA-N 2 2 372.473 0.702 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662669978 493530769 /nfs/dbraw/zinc/53/07/69/493530769.db2.gz BKBCBQDGPPBKTK-UHFFFAOYSA-N 2 2 355.446 0.674 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662673773 493531202 /nfs/dbraw/zinc/53/12/02/493531202.db2.gz RACAABHAWYHXRB-WBVHZDCISA-N 2 2 364.494 0.679 20 0 FCADLP CN(C(=O)c1ccnc2c1nnn2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669896066 493532259 /nfs/dbraw/zinc/53/22/59/493532259.db2.gz NCSBGXHEEZMACH-CQSZACIVSA-N 2 2 357.462 0.604 20 0 FCADLP CN(C(=O)c1ccnc2c1nnn2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669896066 493532260 /nfs/dbraw/zinc/53/22/60/493532260.db2.gz NCSBGXHEEZMACH-CQSZACIVSA-N 2 2 357.462 0.604 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662694026 493532731 /nfs/dbraw/zinc/53/27/31/493532731.db2.gz WEUSRFYNLSACDG-HZPDHXFCSA-N 2 2 368.503 0.698 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676251372 493535137 /nfs/dbraw/zinc/53/51/37/493535137.db2.gz LQYVMXIQUSGLLL-QXSJWSMHSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676251372 493535138 /nfs/dbraw/zinc/53/51/38/493535138.db2.gz LQYVMXIQUSGLLL-QXSJWSMHSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676251372 493535139 /nfs/dbraw/zinc/53/51/39/493535139.db2.gz LQYVMXIQUSGLLL-QXSJWSMHSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676251372 493535140 /nfs/dbraw/zinc/53/51/40/493535140.db2.gz LQYVMXIQUSGLLL-QXSJWSMHSA-N 2 2 356.511 0.893 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000662726810 493535561 /nfs/dbraw/zinc/53/55/61/493535561.db2.gz MNNWOHIIRLWTIQ-WKILWMFISA-N 2 2 360.458 0.307 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000676264205 493537980 /nfs/dbraw/zinc/53/79/80/493537980.db2.gz NKDNGRPUOLDRNB-GJZGRUSLSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676264205 493537983 /nfs/dbraw/zinc/53/79/83/493537983.db2.gz NKDNGRPUOLDRNB-GJZGRUSLSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676263557 493538395 /nfs/dbraw/zinc/53/83/95/493538395.db2.gz GAOOETSGUXHMKX-HOCLYGCPSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263557 493538398 /nfs/dbraw/zinc/53/83/98/493538398.db2.gz GAOOETSGUXHMKX-HOCLYGCPSA-N 2 2 366.466 0.056 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662801269 493543093 /nfs/dbraw/zinc/54/30/93/493543093.db2.gz VDFXZGZSGVXUTL-ROUUACIJSA-N 2 2 360.458 0.653 20 0 FCADLP C[C@]1(C(N)=O)CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000662900834 493550196 /nfs/dbraw/zinc/55/01/96/493550196.db2.gz BZVSZUIDELZYCG-LPHOPBHVSA-N 2 2 355.442 0.525 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662932930 493556212 /nfs/dbraw/zinc/55/62/12/493556212.db2.gz NYHHCESBGHQNBO-USXIJHARSA-N 2 2 362.449 0.617 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662932930 493556214 /nfs/dbraw/zinc/55/62/14/493556214.db2.gz NYHHCESBGHQNBO-USXIJHARSA-N 2 2 362.449 0.617 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000676552968 493558394 /nfs/dbraw/zinc/55/83/94/493558394.db2.gz QEUIQSQZBZRXMX-CQSZACIVSA-N 2 2 359.434 0.443 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC(=O)N1C ZINC000662972486 493562496 /nfs/dbraw/zinc/56/24/96/493562496.db2.gz PWUKCDZGDREZHX-IVSAIRAKSA-N 2 2 359.474 0.834 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000662984321 493564125 /nfs/dbraw/zinc/56/41/25/493564125.db2.gz KKFBRPCRTRTBQW-WCVJEAGWSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000662984321 493564126 /nfs/dbraw/zinc/56/41/26/493564126.db2.gz KKFBRPCRTRTBQW-WCVJEAGWSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H](C[NH3+])C1 ZINC000662986186 493564364 /nfs/dbraw/zinc/56/43/64/493564364.db2.gz AIHPBUNXCBMFPX-ZBFHGGJFSA-N 2 2 364.515 0.978 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccccc3)C2)CC1 ZINC000670476782 493571790 /nfs/dbraw/zinc/57/17/90/493571790.db2.gz SFHMLKRRIGZXOG-QGZVFWFLSA-N 2 2 358.486 0.630 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccccc3)C2)CC1 ZINC000670476782 493571792 /nfs/dbraw/zinc/57/17/92/493571792.db2.gz SFHMLKRRIGZXOG-QGZVFWFLSA-N 2 2 358.486 0.630 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670478570 493572394 /nfs/dbraw/zinc/57/23/94/493572394.db2.gz NRIZHHSOSVGCKG-QGZVFWFLSA-N 2 2 359.474 0.325 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670478570 493572397 /nfs/dbraw/zinc/57/23/97/493572397.db2.gz NRIZHHSOSVGCKG-QGZVFWFLSA-N 2 2 359.474 0.325 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000670479662 493572891 /nfs/dbraw/zinc/57/28/91/493572891.db2.gz GIUIQQRJWRAVTB-QGZVFWFLSA-N 2 2 360.458 0.128 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000670479662 493572894 /nfs/dbraw/zinc/57/28/94/493572894.db2.gz GIUIQQRJWRAVTB-QGZVFWFLSA-N 2 2 360.458 0.128 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670500349 493574784 /nfs/dbraw/zinc/57/47/84/493574784.db2.gz OFLUVNDKBPWQNG-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670500349 493574787 /nfs/dbraw/zinc/57/47/87/493574787.db2.gz OFLUVNDKBPWQNG-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000670503418 493575751 /nfs/dbraw/zinc/57/57/51/493575751.db2.gz VOPRBEJBXVYHKP-BHYGNILZSA-N 2 2 362.474 0.241 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000670503418 493575752 /nfs/dbraw/zinc/57/57/52/493575752.db2.gz VOPRBEJBXVYHKP-BHYGNILZSA-N 2 2 362.474 0.241 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663384577 493586265 /nfs/dbraw/zinc/58/62/65/493586265.db2.gz KSNIYQWIDIWPKW-UHFFFAOYSA-N 2 2 362.478 0.450 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663384577 493586268 /nfs/dbraw/zinc/58/62/68/493586268.db2.gz KSNIYQWIDIWPKW-UHFFFAOYSA-N 2 2 362.478 0.450 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000670701840 493589112 /nfs/dbraw/zinc/58/91/12/493589112.db2.gz XMEJMKJPUAUXBD-GUYCJALGSA-N 2 2 373.457 0.296 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670701840 493589114 /nfs/dbraw/zinc/58/91/14/493589114.db2.gz XMEJMKJPUAUXBD-GUYCJALGSA-N 2 2 373.457 0.296 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663480181 493591202 /nfs/dbraw/zinc/59/12/02/493591202.db2.gz NYEVYQVVAUYLSV-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663480181 493591204 /nfs/dbraw/zinc/59/12/04/493591204.db2.gz NYEVYQVVAUYLSV-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663480181 493591206 /nfs/dbraw/zinc/59/12/06/493591206.db2.gz NYEVYQVVAUYLSV-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663480181 493591208 /nfs/dbraw/zinc/59/12/08/493591208.db2.gz NYEVYQVVAUYLSV-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000663622659 493605711 /nfs/dbraw/zinc/60/57/11/493605711.db2.gz XGKRFLBHCMTJNI-GOSISDBHSA-N 2 2 373.501 0.724 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000663622659 493605713 /nfs/dbraw/zinc/60/57/13/493605713.db2.gz XGKRFLBHCMTJNI-GOSISDBHSA-N 2 2 373.501 0.724 20 0 FCADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000677648225 493611522 /nfs/dbraw/zinc/61/15/22/493611522.db2.gz XUPVFMBZFUHDGN-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000677648225 493611524 /nfs/dbraw/zinc/61/15/24/493611524.db2.gz XUPVFMBZFUHDGN-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663687460 493611990 /nfs/dbraw/zinc/61/19/90/493611990.db2.gz WGEXTQOGDCEORT-UHFFFAOYSA-N 2 2 364.494 0.423 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNc2noc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000663692616 493612403 /nfs/dbraw/zinc/61/24/03/493612403.db2.gz VNFNUNVISTUNLN-UHFFFAOYSA-N 2 2 367.475 0.913 20 0 FCADLP C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000677714521 493613257 /nfs/dbraw/zinc/61/32/57/493613257.db2.gz CGQYGSLEXBVVLQ-INIZCTEOSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000677714521 493613258 /nfs/dbraw/zinc/61/32/58/493613258.db2.gz CGQYGSLEXBVVLQ-INIZCTEOSA-N 2 2 374.485 0.345 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@H]2C)CC1 ZINC000677714725 493613279 /nfs/dbraw/zinc/61/32/79/493613279.db2.gz HDTFLMBHVXROBO-QGZVFWFLSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@H]2C)CC1 ZINC000677714725 493613280 /nfs/dbraw/zinc/61/32/80/493613280.db2.gz HDTFLMBHVXROBO-QGZVFWFLSA-N 2 2 358.486 0.850 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986933 493620441 /nfs/dbraw/zinc/62/04/41/493620441.db2.gz ZROLOGWCHWZVNY-FUHWJXTLSA-N 2 2 366.506 0.252 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986933 493620443 /nfs/dbraw/zinc/62/04/43/493620443.db2.gz ZROLOGWCHWZVNY-FUHWJXTLSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670997054 493622237 /nfs/dbraw/zinc/62/22/37/493622237.db2.gz UNPSVTDOOPHJDT-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677912635 493623824 /nfs/dbraw/zinc/62/38/24/493623824.db2.gz UHOAQYNFUINNGT-CQSZACIVSA-N 2 2 370.475 0.168 20 0 FCADLP CN(C(=O)c1coc(S(N)(=O)=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677912635 493623826 /nfs/dbraw/zinc/62/38/26/493623826.db2.gz UHOAQYNFUINNGT-CQSZACIVSA-N 2 2 370.475 0.168 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000677967630 493627581 /nfs/dbraw/zinc/62/75/81/493627581.db2.gz ARJKNIXYEBMDSP-CABCVRRESA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[NH+](C)C[C@@H]1C ZINC000677967630 493627582 /nfs/dbraw/zinc/62/75/82/493627582.db2.gz ARJKNIXYEBMDSP-CABCVRRESA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000677967630 493627583 /nfs/dbraw/zinc/62/75/83/493627583.db2.gz ARJKNIXYEBMDSP-CABCVRRESA-N 2 2 362.474 0.761 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000677967630 493627584 /nfs/dbraw/zinc/62/75/84/493627584.db2.gz ARJKNIXYEBMDSP-CABCVRRESA-N 2 2 362.474 0.761 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663969416 493628118 /nfs/dbraw/zinc/62/81/18/493628118.db2.gz BLIRWYDNEVMEOB-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663969416 493628121 /nfs/dbraw/zinc/62/81/21/493628121.db2.gz BLIRWYDNEVMEOB-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000671065127 493628965 /nfs/dbraw/zinc/62/89/65/493628965.db2.gz DFEUZNFSRUACSE-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000671065127 493628968 /nfs/dbraw/zinc/62/89/68/493628968.db2.gz DFEUZNFSRUACSE-UHFFFAOYSA-N 2 2 361.490 0.491 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCSC1 ZINC000671071731 493629489 /nfs/dbraw/zinc/62/94/89/493629489.db2.gz NPGABVBKLODXFO-PBHICJAKSA-N 2 2 365.503 0.600 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671103847 493634524 /nfs/dbraw/zinc/63/45/24/493634524.db2.gz PRECJYRJBHKSSB-MSOLQXFVSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671103847 493634525 /nfs/dbraw/zinc/63/45/25/493634525.db2.gz PRECJYRJBHKSSB-MSOLQXFVSA-N 2 2 356.470 0.861 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107251 493635844 /nfs/dbraw/zinc/63/58/44/493635844.db2.gz MPTNSTJPXBMLNZ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107251 493635847 /nfs/dbraw/zinc/63/58/47/493635847.db2.gz MPTNSTJPXBMLNZ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107251 493635849 /nfs/dbraw/zinc/63/58/49/493635849.db2.gz MPTNSTJPXBMLNZ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000671107251 493635853 /nfs/dbraw/zinc/63/58/53/493635853.db2.gz MPTNSTJPXBMLNZ-VVLHAWIVSA-N 2 2 366.506 0.297 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000671126479 493639956 /nfs/dbraw/zinc/63/99/56/493639956.db2.gz NSVJSYZNPINOSY-KRWDZBQOSA-N 2 2 373.501 0.965 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671179884 493647036 /nfs/dbraw/zinc/64/70/36/493647036.db2.gz HXBWIDSKVQKUOM-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671179884 493647038 /nfs/dbraw/zinc/64/70/38/493647038.db2.gz HXBWIDSKVQKUOM-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP CN(C(=O)C(=O)NCc1nccs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671298157 493653392 /nfs/dbraw/zinc/65/33/92/493653392.db2.gz WHBIJRZROKFGGI-CQSZACIVSA-N 2 2 365.503 0.386 20 0 FCADLP CN(C(=O)C(=O)NCc1nccs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671298157 493653395 /nfs/dbraw/zinc/65/33/95/493653395.db2.gz WHBIJRZROKFGGI-CQSZACIVSA-N 2 2 365.503 0.386 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3nccs3)C2)CC1 ZINC000671297773 493653606 /nfs/dbraw/zinc/65/36/06/493653606.db2.gz DWYVVLVMVCOKOV-GFCCVEGCSA-N 2 2 351.476 0.044 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3nccs3)C2)CC1 ZINC000671297773 493653607 /nfs/dbraw/zinc/65/36/07/493653607.db2.gz DWYVVLVMVCOKOV-GFCCVEGCSA-N 2 2 351.476 0.044 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671365590 493660878 /nfs/dbraw/zinc/66/08/78/493660878.db2.gz AMEFNEKZNSCOLY-HOTGVXAUSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671365590 493660879 /nfs/dbraw/zinc/66/08/79/493660879.db2.gz AMEFNEKZNSCOLY-HOTGVXAUSA-N 3 2 367.538 0.118 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671364935 493660911 /nfs/dbraw/zinc/66/09/11/493660911.db2.gz GAAPFWZBGQCFKG-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671364935 493660913 /nfs/dbraw/zinc/66/09/13/493660913.db2.gz GAAPFWZBGQCFKG-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000678803735 493661664 /nfs/dbraw/zinc/66/16/64/493661664.db2.gz DWCCIYOUKFKYIH-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000678803735 493661666 /nfs/dbraw/zinc/66/16/66/493661666.db2.gz DWCCIYOUKFKYIH-SFHVURJKSA-N 2 2 352.523 0.724 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671395134 493664520 /nfs/dbraw/zinc/66/45/20/493664520.db2.gz ASGHYYVUPPUOFS-UHFFFAOYSA-N 2 2 358.486 0.919 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000664539788 493666367 /nfs/dbraw/zinc/66/63/67/493666367.db2.gz REYPVXUTLPSANW-LJQANCHMSA-N 2 2 370.538 0.879 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1=CC[N@H+](C)CC1 ZINC000679729001 493693521 /nfs/dbraw/zinc/69/35/21/493693521.db2.gz XHRRGBAKVMNUAZ-OAHLLOKOSA-N 2 2 362.478 0.987 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1=CC[N@@H+](C)CC1 ZINC000679729001 493693523 /nfs/dbraw/zinc/69/35/23/493693523.db2.gz XHRRGBAKVMNUAZ-OAHLLOKOSA-N 2 2 362.478 0.987 20 0 FCADLP COC[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671950515 493717545 /nfs/dbraw/zinc/71/75/45/493717545.db2.gz QGHZGCFZLONOQC-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000671960954 493718270 /nfs/dbraw/zinc/71/82/70/493718270.db2.gz GMXXJFCJJKAWAF-JKSUJKDBSA-N 2 2 363.462 0.131 20 0 FCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000680467448 493718410 /nfs/dbraw/zinc/71/84/10/493718410.db2.gz OOKQRVQPMFIWEO-GJZGRUSLSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000680467448 493718412 /nfs/dbraw/zinc/71/84/12/493718412.db2.gz OOKQRVQPMFIWEO-GJZGRUSLSA-N 2 2 350.467 0.772 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000672008794 493724144 /nfs/dbraw/zinc/72/41/44/493724144.db2.gz WKVKTUFFDBXHNL-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000672008794 493724146 /nfs/dbraw/zinc/72/41/46/493724146.db2.gz WKVKTUFFDBXHNL-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672010163 493724194 /nfs/dbraw/zinc/72/41/94/493724194.db2.gz AZEUIEAPWIMVCK-WBVHZDCISA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672013903 493724941 /nfs/dbraw/zinc/72/49/41/493724941.db2.gz HQNNNUTZUHKXJM-HNNXBMFYSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000672013903 493724943 /nfs/dbraw/zinc/72/49/43/493724943.db2.gz HQNNNUTZUHKXJM-HNNXBMFYSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000672099944 493735572 /nfs/dbraw/zinc/73/55/72/493735572.db2.gz YNTNTEHVUIEIEH-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000672099944 493735573 /nfs/dbraw/zinc/73/55/73/493735573.db2.gz YNTNTEHVUIEIEH-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000681216637 493750858 /nfs/dbraw/zinc/75/08/58/493750858.db2.gz IFQNZCVTBIXCDD-JQHSSLGASA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000681216637 493750859 /nfs/dbraw/zinc/75/08/59/493750859.db2.gz IFQNZCVTBIXCDD-JQHSSLGASA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000681216637 493750860 /nfs/dbraw/zinc/75/08/60/493750860.db2.gz IFQNZCVTBIXCDD-JQHSSLGASA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000681216637 493750861 /nfs/dbraw/zinc/75/08/61/493750861.db2.gz IFQNZCVTBIXCDD-JQHSSLGASA-N 3 2 367.538 0.515 20 0 FCADLP CN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681215627 493751509 /nfs/dbraw/zinc/75/15/09/493751509.db2.gz KAAGXVFPARMJFY-ZWKOTPCHSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681215627 493751510 /nfs/dbraw/zinc/75/15/10/493751510.db2.gz KAAGXVFPARMJFY-ZWKOTPCHSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681215627 493751511 /nfs/dbraw/zinc/75/15/11/493751511.db2.gz KAAGXVFPARMJFY-ZWKOTPCHSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681215627 493751512 /nfs/dbraw/zinc/75/15/12/493751512.db2.gz KAAGXVFPARMJFY-ZWKOTPCHSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681215622 493751560 /nfs/dbraw/zinc/75/15/60/493751560.db2.gz KAAGXVFPARMJFY-QZTJIDSGSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681215622 493751561 /nfs/dbraw/zinc/75/15/61/493751561.db2.gz KAAGXVFPARMJFY-QZTJIDSGSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681215622 493751562 /nfs/dbraw/zinc/75/15/62/493751562.db2.gz KAAGXVFPARMJFY-QZTJIDSGSA-N 3 2 366.554 0.042 20 0 FCADLP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681215622 493751564 /nfs/dbraw/zinc/75/15/64/493751564.db2.gz KAAGXVFPARMJFY-QZTJIDSGSA-N 3 2 366.554 0.042 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218790 493752184 /nfs/dbraw/zinc/75/21/84/493752184.db2.gz NENMGNDTUGAJNE-KZNAEPCWSA-N 2 2 368.522 0.990 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218790 493752186 /nfs/dbraw/zinc/75/21/86/493752186.db2.gz NENMGNDTUGAJNE-KZNAEPCWSA-N 2 2 368.522 0.990 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672308261 493753711 /nfs/dbraw/zinc/75/37/11/493753711.db2.gz GWKJXEBDCGMKOQ-NVXWUHKLSA-N 2 2 358.442 0.662 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672308261 493753713 /nfs/dbraw/zinc/75/37/13/493753713.db2.gz GWKJXEBDCGMKOQ-NVXWUHKLSA-N 2 2 358.442 0.662 20 0 FCADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000681366329 493758657 /nfs/dbraw/zinc/75/86/57/493758657.db2.gz ODOZXZMUMBYIAW-UHFFFAOYSA-N 2 2 373.906 0.997 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000672357460 493759328 /nfs/dbraw/zinc/75/93/28/493759328.db2.gz AYYXKZRHQYCFEB-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000672357460 493759330 /nfs/dbraw/zinc/75/93/30/493759330.db2.gz AYYXKZRHQYCFEB-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nncn1C ZINC000672427583 493765764 /nfs/dbraw/zinc/76/57/64/493765764.db2.gz PQNHJPGKKDFESU-ZBFHGGJFSA-N 2 2 363.510 0.980 20 0 FCADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nncn1C ZINC000672427583 493765769 /nfs/dbraw/zinc/76/57/69/493765769.db2.gz PQNHJPGKKDFESU-ZBFHGGJFSA-N 2 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ZINC000410699109 528738981 /nfs/dbraw/zinc/73/89/81/528738981.db2.gz PDFKSNPIEUKKPL-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410699109 528738983 /nfs/dbraw/zinc/73/89/83/528738983.db2.gz PDFKSNPIEUKKPL-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410699109 528738984 /nfs/dbraw/zinc/73/89/84/528738984.db2.gz PDFKSNPIEUKKPL-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410953521 529117865 /nfs/dbraw/zinc/11/78/65/529117865.db2.gz LMCRNALFPMNPQQ-HZPDHXFCSA-N 2 2 372.473 0.088 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410953522 529119138 /nfs/dbraw/zinc/11/91/38/529119138.db2.gz LMCRNALFPMNPQQ-JKSUJKDBSA-N 2 2 372.473 0.088 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410677153 529119754 /nfs/dbraw/zinc/11/97/54/529119754.db2.gz QSIFXIIRHBDZAN-ZNMIVQPWSA-N 2 2 362.478 0.023 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000187213618 529147767 /nfs/dbraw/zinc/14/77/67/529147767.db2.gz SAGKLKAPTUJANK-QGZVFWFLSA-N 2 2 355.527 0.282 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000187213618 529147768 /nfs/dbraw/zinc/14/77/68/529147768.db2.gz SAGKLKAPTUJANK-QGZVFWFLSA-N 2 2 355.527 0.282 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000187213618 529147769 /nfs/dbraw/zinc/14/77/69/529147769.db2.gz SAGKLKAPTUJANK-QGZVFWFLSA-N 2 2 355.527 0.282 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000187213618 529147770 /nfs/dbraw/zinc/14/77/70/529147770.db2.gz SAGKLKAPTUJANK-QGZVFWFLSA-N 2 2 355.527 0.282 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000410884447 529351113 /nfs/dbraw/zinc/35/11/13/529351113.db2.gz CKLJKRJDCXFNRU-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410847473 529351392 /nfs/dbraw/zinc/35/13/92/529351392.db2.gz LFQXTIUUOKZOJE-HZPDHXFCSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000410847473 529351394 /nfs/dbraw/zinc/35/13/94/529351394.db2.gz LFQXTIUUOKZOJE-HZPDHXFCSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@@H+]1CCOC ZINC000410527789 529352870 /nfs/dbraw/zinc/35/28/70/529352870.db2.gz KQUJZSKDNQVLCS-SJORKVTESA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@H+]1CCOC ZINC000410527789 529352873 /nfs/dbraw/zinc/35/28/73/529352873.db2.gz KQUJZSKDNQVLCS-SJORKVTESA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527789 529352875 /nfs/dbraw/zinc/35/28/75/529352875.db2.gz KQUJZSKDNQVLCS-SJORKVTESA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527789 529352878 /nfs/dbraw/zinc/35/28/78/529352878.db2.gz KQUJZSKDNQVLCS-SJORKVTESA-N 2 2 368.522 0.354 20 0 FCADLP CCCN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000419124146 535191360 /nfs/dbraw/zinc/19/13/60/535191360.db2.gz WZXNSRPKOJONDL-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423545998 535604812 /nfs/dbraw/zinc/60/48/12/535604812.db2.gz BJSCXBARQQEMAT-YHUYYLMFSA-N 2 2 374.489 0.201 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000419884879 535606596 /nfs/dbraw/zinc/60/65/96/535606596.db2.gz YIAVOLJXNQOWRF-ROUUACIJSA-N 2 2 374.485 0.421 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423379861 535702690 /nfs/dbraw/zinc/70/26/90/535702690.db2.gz XZGALSDCQKGGFY-NVXWUHKLSA-N 2 2 373.501 0.952 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000424557194 536002759 /nfs/dbraw/zinc/00/27/59/536002759.db2.gz VJGFURJLZPWOKC-HNNXBMFYSA-N 2 2 368.428 0.725 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000425397142 536487187 /nfs/dbraw/zinc/48/71/87/536487187.db2.gz GCXGJVMOIRFFLU-BHYGNILZSA-N 2 2 358.442 0.614 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000425397142 536487189 /nfs/dbraw/zinc/48/71/89/536487189.db2.gz GCXGJVMOIRFFLU-BHYGNILZSA-N 2 2 358.442 0.614 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000592472070 546651207 /nfs/dbraw/zinc/65/12/07/546651207.db2.gz HNQAKWNDMUACEF-CQSZACIVSA-N 2 2 350.463 0.826 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1C ZINC000592472070 546651212 /nfs/dbraw/zinc/65/12/12/546651212.db2.gz HNQAKWNDMUACEF-CQSZACIVSA-N 2 2 350.463 0.826 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733987 546747490 /nfs/dbraw/zinc/74/74/90/546747490.db2.gz QJCGIEPAOJBUEA-TZMCWYRMSA-N 2 2 351.451 0.985 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733987 546747491 /nfs/dbraw/zinc/74/74/91/546747491.db2.gz QJCGIEPAOJBUEA-TZMCWYRMSA-N 2 2 351.451 0.985 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015217 546771105 /nfs/dbraw/zinc/77/11/05/546771105.db2.gz XXGZCWPLDKPBGW-KSZLIROESA-N 2 2 350.459 0.814 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015217 546771109 /nfs/dbraw/zinc/77/11/09/546771109.db2.gz XXGZCWPLDKPBGW-KSZLIROESA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015217 546771116 /nfs/dbraw/zinc/77/11/16/546771116.db2.gz XXGZCWPLDKPBGW-KSZLIROESA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000594015217 546771123 /nfs/dbraw/zinc/77/11/23/546771123.db2.gz XXGZCWPLDKPBGW-KSZLIROESA-N 2 2 350.459 0.814 20 0 FCADLP Cc1c([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC000431957460 546844255 /nfs/dbraw/zinc/84/42/55/546844255.db2.gz KKIXIYINYZUIDI-WAWQUYLISA-N 2 2 352.479 0.618 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000647940319 546872380 /nfs/dbraw/zinc/87/23/80/546872380.db2.gz SWNHCSMNRVEEOJ-XJKSGUPXSA-N 2 2 368.503 0.935 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000647940319 546872386 /nfs/dbraw/zinc/87/23/86/546872386.db2.gz SWNHCSMNRVEEOJ-XJKSGUPXSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152478998 546918961 /nfs/dbraw/zinc/91/89/61/546918961.db2.gz WQZOUHGXNPNYIM-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152478998 546918967 /nfs/dbraw/zinc/91/89/67/546918967.db2.gz WQZOUHGXNPNYIM-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489803266 546988346 /nfs/dbraw/zinc/98/83/46/546988346.db2.gz UHYLTLGPJOCTOU-ZBFHGGJFSA-N 2 2 351.495 0.513 20 0 FCADLP CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548015826 547057193 /nfs/dbraw/zinc/05/71/93/547057193.db2.gz QADPLRLVGODAPQ-HNNXBMFYSA-N 2 2 350.467 0.520 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548764276 547063448 /nfs/dbraw/zinc/06/34/48/547063448.db2.gz FYVGUQLBTIIZES-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548764276 547063453 /nfs/dbraw/zinc/06/34/53/547063453.db2.gz FYVGUQLBTIIZES-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000550662726 547096394 /nfs/dbraw/zinc/09/63/94/547096394.db2.gz AIASOLWHXKLXRF-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000550662726 547096400 /nfs/dbraw/zinc/09/64/00/547096400.db2.gz AIASOLWHXKLXRF-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000550691477 547099005 /nfs/dbraw/zinc/09/90/05/547099005.db2.gz HHSURVBSOHHCIH-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000550691477 547099010 /nfs/dbraw/zinc/09/90/10/547099010.db2.gz HHSURVBSOHHCIH-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@H](COC)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000550803014 547107301 /nfs/dbraw/zinc/10/73/01/547107301.db2.gz IJHDTXWKZKGVAO-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000551074191 547124485 /nfs/dbraw/zinc/12/44/85/547124485.db2.gz GEXLVBIISIGQFI-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000551122887 547127658 /nfs/dbraw/zinc/12/76/58/547127658.db2.gz BMRRQIRXUJETHJ-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000551142336 547127892 /nfs/dbraw/zinc/12/78/92/547127892.db2.gz APZIDEYINPSVBU-HOTGVXAUSA-N 2 2 374.551 0.573 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000551142336 547127899 /nfs/dbraw/zinc/12/78/99/547127899.db2.gz APZIDEYINPSVBU-HOTGVXAUSA-N 2 2 374.551 0.573 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000552269845 547198133 /nfs/dbraw/zinc/19/81/33/547198133.db2.gz VDQOSRDBTMRSEO-UHFFFAOYSA-N 2 2 369.491 0.745 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000552269845 547198135 /nfs/dbraw/zinc/19/81/35/547198135.db2.gz VDQOSRDBTMRSEO-UHFFFAOYSA-N 2 2 369.491 0.745 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+](C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000552269845 547198139 /nfs/dbraw/zinc/19/81/39/547198139.db2.gz VDQOSRDBTMRSEO-UHFFFAOYSA-N 2 2 369.491 0.745 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+](C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000552269845 547198142 /nfs/dbraw/zinc/19/81/42/547198142.db2.gz VDQOSRDBTMRSEO-UHFFFAOYSA-N 2 2 369.491 0.745 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552339351 547201820 /nfs/dbraw/zinc/20/18/20/547201820.db2.gz LCHIAOZJMRZPHX-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552339351 547201824 /nfs/dbraw/zinc/20/18/24/547201824.db2.gz LCHIAOZJMRZPHX-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)C[C@@H](C)O1 ZINC000552586856 547217370 /nfs/dbraw/zinc/21/73/70/547217370.db2.gz PABWNESOXNKUEE-FMKPAKJESA-N 2 2 353.463 0.334 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553092444 547253589 /nfs/dbraw/zinc/25/35/89/547253589.db2.gz FZXBSMJQXXBZDB-DOTOQJQBSA-N 2 2 354.564 0.956 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000553278793 547265479 /nfs/dbraw/zinc/26/54/79/547265479.db2.gz DTNMWQGKSAVWBZ-QKPAOTATSA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000553278793 547265488 /nfs/dbraw/zinc/26/54/88/547265488.db2.gz DTNMWQGKSAVWBZ-QKPAOTATSA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000553278794 547266156 /nfs/dbraw/zinc/26/61/56/547266156.db2.gz DTNMWQGKSAVWBZ-QXSJWSMHSA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000553278794 547266159 /nfs/dbraw/zinc/26/61/59/547266159.db2.gz DTNMWQGKSAVWBZ-QXSJWSMHSA-N 2 2 354.495 0.153 20 0 FCADLP CCNc1nc(NC2CC[NH+](CCOC)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553332016 547269849 /nfs/dbraw/zinc/26/98/49/547269849.db2.gz HUHLUPWTEFRIBU-UHFFFAOYSA-N 2 2 351.499 0.880 20 0 FCADLP CCNc1nc(NC(C)(C)C)nc(NC2CC[NH+](CCOC)CC2)[nH+]1 ZINC000553332016 547269852 /nfs/dbraw/zinc/26/98/52/547269852.db2.gz HUHLUPWTEFRIBU-UHFFFAOYSA-N 2 2 351.499 0.880 20 0 FCADLP CCNc1nc(NC2CC[NH+](CCOC)CC2)[nH+]c(NC(C)(C)C)n1 ZINC000553332016 547269858 /nfs/dbraw/zinc/26/98/58/547269858.db2.gz HUHLUPWTEFRIBU-UHFFFAOYSA-N 2 2 351.499 0.880 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H]1COCCO1 ZINC000661612640 547355455 /nfs/dbraw/zinc/35/54/55/547355455.db2.gz OGGMSLWXCFBFQX-INIZCTEOSA-N 2 2 353.488 0.740 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H]1COCCO1 ZINC000661612640 547355460 /nfs/dbraw/zinc/35/54/60/547355460.db2.gz OGGMSLWXCFBFQX-INIZCTEOSA-N 2 2 353.488 0.740 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000491388576 547389511 /nfs/dbraw/zinc/38/95/11/547389511.db2.gz VTDMTADJXJHPHP-KRWDZBQOSA-N 2 2 356.511 0.300 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000491388576 547389513 /nfs/dbraw/zinc/38/95/13/547389513.db2.gz VTDMTADJXJHPHP-KRWDZBQOSA-N 2 2 356.511 0.300 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000736533716 598755671 /nfs/dbraw/zinc/75/56/71/598755671.db2.gz JFHHNHZSBWOWRS-UHFFFAOYSA-N 2 2 372.477 0.869 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCC(=O)[O-] ZINC000820620336 601195823 /nfs/dbraw/zinc/19/58/23/601195823.db2.gz KAEARFKYQVOKNS-UHFFFAOYSA-N 2 2 354.495 0.315 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCC(=O)[O-] ZINC000820620336 601195824 /nfs/dbraw/zinc/19/58/24/601195824.db2.gz KAEARFKYQVOKNS-UHFFFAOYSA-N 2 2 354.495 0.315 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245804044 674491684 /nfs/dbraw/zinc/49/16/84/674491684.db2.gz LJIRCMWEMCADNC-QLFBSQMISA-N 2 2 359.536 0.873 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245804044 674491687 /nfs/dbraw/zinc/49/16/87/674491687.db2.gz LJIRCMWEMCADNC-QLFBSQMISA-N 2 2 359.536 0.873 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000093332641 674536808 /nfs/dbraw/zinc/53/68/08/674536808.db2.gz ZQWQZIBIVAPWMO-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000093332641 674536811 /nfs/dbraw/zinc/53/68/11/674536811.db2.gz ZQWQZIBIVAPWMO-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000821621966 606560465 /nfs/dbraw/zinc/56/04/65/606560465.db2.gz NHBKWCPQUHRTTN-MRXNPFEDSA-N 2 2 369.473 0.694 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000821621966 606560467 /nfs/dbraw/zinc/56/04/67/606560467.db2.gz NHBKWCPQUHRTTN-MRXNPFEDSA-N 2 2 369.473 0.694 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897557596 665731111 /nfs/dbraw/zinc/73/11/11/665731111.db2.gz OUZMVKFIUPSVEF-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897557596 665731112 /nfs/dbraw/zinc/73/11/12/665731112.db2.gz OUZMVKFIUPSVEF-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970199772 663247510 /nfs/dbraw/zinc/24/75/10/663247510.db2.gz WASYWLQNZHZCNT-NXHRZFHOSA-N 2 2 353.507 0.959 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000891472621 663408271 /nfs/dbraw/zinc/40/82/71/663408271.db2.gz OALGMRPSHQPJLX-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000891472621 663408273 /nfs/dbraw/zinc/40/82/73/663408273.db2.gz OALGMRPSHQPJLX-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCO1 ZINC000891472644 663408354 /nfs/dbraw/zinc/40/83/54/663408354.db2.gz OFBMQNPMDPATIN-VXGBXAGGSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCO1 ZINC000891472644 663408356 /nfs/dbraw/zinc/40/83/56/663408356.db2.gz OFBMQNPMDPATIN-VXGBXAGGSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891505956 663410392 /nfs/dbraw/zinc/41/03/92/663410392.db2.gz CHQURZSQNNUAGQ-UHFFFAOYSA-N 2 2 353.492 0.780 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891505956 663410394 /nfs/dbraw/zinc/41/03/94/663410394.db2.gz CHQURZSQNNUAGQ-UHFFFAOYSA-N 2 2 353.492 0.780 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCOCC1 ZINC000891512627 663411150 /nfs/dbraw/zinc/41/11/50/663411150.db2.gz RWRHDVSIEKUVKI-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)(CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000891512627 663411152 /nfs/dbraw/zinc/41/11/52/663411152.db2.gz RWRHDVSIEKUVKI-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891537914 663412863 /nfs/dbraw/zinc/41/28/63/663412863.db2.gz NPBDDSPFFMWZAP-GJZGRUSLSA-N 2 2 358.508 0.031 20 0 FCADLP C[C@H](C(=O)NCC[N@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000899733448 665960759 /nfs/dbraw/zinc/96/07/59/665960759.db2.gz BTKWKTSNHNGDBR-OAHLLOKOSA-N 2 2 352.454 0.377 20 0 FCADLP C[C@H](C(=O)NCC[N@@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000899733448 665960762 /nfs/dbraw/zinc/96/07/62/665960762.db2.gz BTKWKTSNHNGDBR-OAHLLOKOSA-N 2 2 352.454 0.377 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022274965 663428910 /nfs/dbraw/zinc/42/89/10/663428910.db2.gz GAQRZTXIYYQNJD-FVCCEPFGSA-N 2 2 353.492 0.556 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022274965 663428911 /nfs/dbraw/zinc/42/89/11/663428911.db2.gz GAQRZTXIYYQNJD-FVCCEPFGSA-N 2 2 353.492 0.556 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC000891751617 663433573 /nfs/dbraw/zinc/43/35/73/663433573.db2.gz BDCXPSTXRXMEKV-KRWDZBQOSA-N 2 2 355.527 0.014 20 0 FCADLP Cc1nc(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cn1C ZINC000892160949 663483610 /nfs/dbraw/zinc/48/36/10/663483610.db2.gz IEDZIJACOFUZFH-UHFFFAOYSA-N 2 2 355.508 0.377 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000934307335 663488669 /nfs/dbraw/zinc/48/86/69/663488669.db2.gz FYRQQCPFNPZKFN-HZPDHXFCSA-N 2 2 359.536 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000934307335 663488671 /nfs/dbraw/zinc/48/86/71/663488671.db2.gz FYRQQCPFNPZKFN-HZPDHXFCSA-N 2 2 359.536 0.827 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892384579 663797863 /nfs/dbraw/zinc/79/78/63/663797863.db2.gz NSURIFOWUOHVMH-MRXNPFEDSA-N 2 2 356.511 0.755 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001024038797 663868251 /nfs/dbraw/zinc/86/82/51/663868251.db2.gz KTWYCMGEGUEKLL-VHDGCEQUSA-N 2 2 350.467 0.160 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001024038797 663868255 /nfs/dbraw/zinc/86/82/55/663868255.db2.gz KTWYCMGEGUEKLL-VHDGCEQUSA-N 2 2 350.467 0.160 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cnnn2C)O1 ZINC001024506316 663956899 /nfs/dbraw/zinc/95/68/99/663956899.db2.gz KKKFIAQQRKESEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cnnn2C)O1 ZINC001024506316 663956902 /nfs/dbraw/zinc/95/69/02/663956902.db2.gz KKKFIAQQRKESEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cnnn2C)O1 ZINC001024506316 663956903 /nfs/dbraw/zinc/95/69/03/663956903.db2.gz KKKFIAQQRKESEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cnnn2C)O1 ZINC001024506316 663956905 /nfs/dbraw/zinc/95/69/05/663956905.db2.gz KKKFIAQQRKESEQ-IIAWOOMASA-N 2 2 350.467 0.005 20 0 FCADLP COCCOC[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892751005 664136407 /nfs/dbraw/zinc/13/64/07/664136407.db2.gz PQHKEAPUVOLANZ-MRXNPFEDSA-N 2 2 350.463 0.761 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880115 664153047 /nfs/dbraw/zinc/15/30/47/664153047.db2.gz ZWPTWUULJVCHNW-CHWSQXEVSA-N 2 2 365.503 0.875 20 0 FCADLP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000892928942 664155390 /nfs/dbraw/zinc/15/53/90/664155390.db2.gz CVTXAQDFAYUSSR-OAHLLOKOSA-N 2 2 360.524 0.231 20 0 FCADLP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000892928942 664155391 /nfs/dbraw/zinc/15/53/91/664155391.db2.gz CVTXAQDFAYUSSR-OAHLLOKOSA-N 2 2 360.524 0.231 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CCS(C)(=O)=O)CC2(C)C)CC[N@@H+]1C ZINC000974600325 664267894 /nfs/dbraw/zinc/26/78/94/664267894.db2.gz PJTOUQYUAGBOMR-ZNMIVQPWSA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](CCS(C)(=O)=O)CC2(C)C)CC[N@H+]1C ZINC000974600325 664267895 /nfs/dbraw/zinc/26/78/95/664267895.db2.gz PJTOUQYUAGBOMR-ZNMIVQPWSA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](CCS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC000974600325 664267897 /nfs/dbraw/zinc/26/78/97/664267897.db2.gz PJTOUQYUAGBOMR-ZNMIVQPWSA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](CCS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC000974600325 664267898 /nfs/dbraw/zinc/26/78/98/664267898.db2.gz PJTOUQYUAGBOMR-ZNMIVQPWSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000893742629 664872880 /nfs/dbraw/zinc/87/28/80/664872880.db2.gz KYEYNBHXFRNVDO-DJIMGWMZSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000893742629 664872883 /nfs/dbraw/zinc/87/28/83/664872883.db2.gz KYEYNBHXFRNVDO-DJIMGWMZSA-N 2 2 354.495 0.384 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038402423 664942457 /nfs/dbraw/zinc/94/24/57/664942457.db2.gz ZPKYYOBYFUMZAR-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038402423 664942458 /nfs/dbraw/zinc/94/24/58/664942458.db2.gz ZPKYYOBYFUMZAR-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038402423 664942459 /nfs/dbraw/zinc/94/24/59/664942459.db2.gz ZPKYYOBYFUMZAR-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038402423 664942461 /nfs/dbraw/zinc/94/24/61/664942461.db2.gz ZPKYYOBYFUMZAR-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957727 664961749 /nfs/dbraw/zinc/96/17/49/664961749.db2.gz AHGYUBBALQMIMD-CABCVRRESA-N 2 2 353.488 0.694 20 0 FCADLP O=C(CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957727 664961750 /nfs/dbraw/zinc/96/17/50/664961750.db2.gz AHGYUBBALQMIMD-CABCVRRESA-N 2 2 353.488 0.694 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000984012252 665013337 /nfs/dbraw/zinc/01/33/37/665013337.db2.gz FCNAWNOUNGEUEF-BRXULGCHSA-N 2 2 369.897 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000984012252 665013340 /nfs/dbraw/zinc/01/33/40/665013340.db2.gz FCNAWNOUNGEUEF-BRXULGCHSA-N 2 2 369.897 0.777 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000895963883 665065896 /nfs/dbraw/zinc/06/58/96/665065896.db2.gz KYXIOABRYNUCFY-GOOCMWNKSA-N 2 2 366.487 0.748 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000895963883 665065897 /nfs/dbraw/zinc/06/58/97/665065897.db2.gz KYXIOABRYNUCFY-GOOCMWNKSA-N 2 2 366.487 0.748 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569003 665094394 /nfs/dbraw/zinc/09/43/94/665094394.db2.gz RBNYEWYEUSQIIM-WKULXVSPSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569003 665094397 /nfs/dbraw/zinc/09/43/97/665094397.db2.gz RBNYEWYEUSQIIM-WKULXVSPSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569003 665094399 /nfs/dbraw/zinc/09/43/99/665094399.db2.gz RBNYEWYEUSQIIM-WKULXVSPSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000896569003 665094400 /nfs/dbraw/zinc/09/44/00/665094400.db2.gz RBNYEWYEUSQIIM-WKULXVSPSA-N 2 2 354.539 0.871 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237305173 665168669 /nfs/dbraw/zinc/16/86/69/665168669.db2.gz CKKHBIZZOCTAAF-KRWDZBQOSA-N 2 2 365.499 0.499 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929101760 665346051 /nfs/dbraw/zinc/34/60/51/665346051.db2.gz GAOKNMYKFVAIJG-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929101760 665346055 /nfs/dbraw/zinc/34/60/55/665346055.db2.gz GAOKNMYKFVAIJG-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000907518060 666141665 /nfs/dbraw/zinc/14/16/65/666141665.db2.gz MBKPZXOIJPXPKM-OWCLPIDISA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000907518060 666141668 /nfs/dbraw/zinc/14/16/68/666141668.db2.gz MBKPZXOIJPXPKM-OWCLPIDISA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000907518060 666141671 /nfs/dbraw/zinc/14/16/71/666141671.db2.gz MBKPZXOIJPXPKM-OWCLPIDISA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000907518060 666141673 /nfs/dbraw/zinc/14/16/73/666141673.db2.gz MBKPZXOIJPXPKM-OWCLPIDISA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000908442896 666207655 /nfs/dbraw/zinc/20/76/55/666207655.db2.gz VSAMJXOIZISDHE-CQSZACIVSA-N 2 2 351.451 0.658 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000908442896 666207658 /nfs/dbraw/zinc/20/76/58/666207658.db2.gz VSAMJXOIZISDHE-CQSZACIVSA-N 2 2 351.451 0.658 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000911503190 666361691 /nfs/dbraw/zinc/36/16/91/666361691.db2.gz MWWZXXVTUURNPY-UHFFFAOYSA-N 2 2 364.877 0.982 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000911503190 666361693 /nfs/dbraw/zinc/36/16/93/666361693.db2.gz MWWZXXVTUURNPY-UHFFFAOYSA-N 2 2 364.877 0.982 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000324989013 666749912 /nfs/dbraw/zinc/74/99/12/666749912.db2.gz UVQRPDDZKBYZDD-ZDUSSCGKSA-N 2 2 373.906 0.901 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000324989013 666749917 /nfs/dbraw/zinc/74/99/17/666749917.db2.gz UVQRPDDZKBYZDD-ZDUSSCGKSA-N 2 2 373.906 0.901 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000731684008 666831357 /nfs/dbraw/zinc/83/13/57/666831357.db2.gz NFQXYMZURZLQOT-HOTGVXAUSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000731684008 666831363 /nfs/dbraw/zinc/83/13/63/666831363.db2.gz NFQXYMZURZLQOT-HOTGVXAUSA-N 2 2 372.535 0.421 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731680244 666832870 /nfs/dbraw/zinc/83/28/70/666832870.db2.gz GETZUPOPUJGHNX-UHFFFAOYSA-N 2 2 374.551 0.667 20 0 FCADLP COC[C@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915500338 666873304 /nfs/dbraw/zinc/87/33/04/666873304.db2.gz KFTUTVBQLKYJSX-KRWDZBQOSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)O1 ZINC000995957002 666896996 /nfs/dbraw/zinc/89/69/96/666896996.db2.gz JCCMKKUQIVBOLK-UPJWGTAASA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)O1 ZINC000995957002 666896999 /nfs/dbraw/zinc/89/69/99/666896999.db2.gz JCCMKKUQIVBOLK-UPJWGTAASA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)O1 ZINC000995957650 666897223 /nfs/dbraw/zinc/89/72/23/666897223.db2.gz KPQQCZPITKTSKS-BNOWGMLFSA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)O1 ZINC000995957650 666897225 /nfs/dbraw/zinc/89/72/25/666897225.db2.gz KPQQCZPITKTSKS-BNOWGMLFSA-N 2 2 353.492 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993578170 666917472 /nfs/dbraw/zinc/91/74/72/666917472.db2.gz IQARJNRUKZZTBK-VXGBXAGGSA-N 2 2 355.389 0.192 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000733649210 666920368 /nfs/dbraw/zinc/92/03/68/666920368.db2.gz SCFRVDBZXUDOBV-UHFFFAOYSA-N 2 2 372.535 0.375 20 0 FCADLP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996716291 666967517 /nfs/dbraw/zinc/96/75/17/666967517.db2.gz IZAWFDZVBUIAIP-TZMCWYRMSA-N 2 2 351.451 0.432 20 0 FCADLP CCc1noc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996716291 666967518 /nfs/dbraw/zinc/96/75/18/666967518.db2.gz IZAWFDZVBUIAIP-TZMCWYRMSA-N 2 2 351.451 0.432 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000916323015 667000079 /nfs/dbraw/zinc/00/00/79/667000079.db2.gz FMOUBLLGYMUCOJ-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP CC(=O)OC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000753638323 667559944 /nfs/dbraw/zinc/55/99/44/667559944.db2.gz UEACUFZFMVHUJF-OAHLLOKOSA-N 2 2 352.479 0.892 20 0 FCADLP CC(=O)OC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000753638323 667559948 /nfs/dbraw/zinc/55/99/48/667559948.db2.gz UEACUFZFMVHUJF-OAHLLOKOSA-N 2 2 352.479 0.892 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001034217885 667749983 /nfs/dbraw/zinc/74/99/83/667749983.db2.gz WTPHIJZCTTUNFA-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001034217885 667749985 /nfs/dbraw/zinc/74/99/85/667749985.db2.gz WTPHIJZCTTUNFA-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001034217885 667749986 /nfs/dbraw/zinc/74/99/86/667749986.db2.gz WTPHIJZCTTUNFA-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001034217885 667749988 /nfs/dbraw/zinc/74/99/88/667749988.db2.gz WTPHIJZCTTUNFA-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncs3)CC2)O1 ZINC001034673791 667763254 /nfs/dbraw/zinc/76/32/54/667763254.db2.gz BLEWPEPEEUVKNI-AAVRWANBSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncs3)CC2)O1 ZINC001034673791 667763259 /nfs/dbraw/zinc/76/32/59/667763259.db2.gz BLEWPEPEEUVKNI-AAVRWANBSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322955 667825188 /nfs/dbraw/zinc/82/51/88/667825188.db2.gz SRSKEGJOALNRNQ-CSFVBSKPSA-N 2 2 350.438 0.621 20 0 FCADLP COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923373527 667829156 /nfs/dbraw/zinc/82/91/56/667829156.db2.gz OFCQFGDLCKCSFH-JQFCIGGWSA-N 2 2 369.487 0.242 20 0 FCADLP COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1 ZINC000923373527 667829160 /nfs/dbraw/zinc/82/91/60/667829160.db2.gz OFCQFGDLCKCSFH-JQFCIGGWSA-N 2 2 369.487 0.242 20 0 FCADLP NC(=O)[C@@H]1CSCC[NH+]1CCCCCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000767120048 668045899 /nfs/dbraw/zinc/04/58/99/668045899.db2.gz QXKFEQKHHFAXBE-OKILXGFUSA-N 2 2 374.576 0.352 20 0 FCADLP NC(=O)[C@@H]1CSCC[NH+]1CCCCCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000767120048 668045901 /nfs/dbraw/zinc/04/59/01/668045901.db2.gz QXKFEQKHHFAXBE-OKILXGFUSA-N 2 2 374.576 0.352 20 0 FCADLP NC(=O)[C@@H]1CSCC[N@H+]1CCCCCC[NH+]1CCSC[C@@H]1C(N)=O ZINC000767120048 668045903 /nfs/dbraw/zinc/04/59/03/668045903.db2.gz QXKFEQKHHFAXBE-OKILXGFUSA-N 2 2 374.576 0.352 20 0 FCADLP NC(=O)[C@@H]1CSCC[N@@H+]1CCCCCC[NH+]1CCSC[C@@H]1C(N)=O ZINC000767120048 668045904 /nfs/dbraw/zinc/04/59/04/668045904.db2.gz QXKFEQKHHFAXBE-OKILXGFUSA-N 2 2 374.576 0.352 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000774567796 668160161 /nfs/dbraw/zinc/16/01/61/668160161.db2.gz VIBVPNXREFMVHG-HNNXBMFYSA-N 2 2 372.535 0.152 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000774567796 668160164 /nfs/dbraw/zinc/16/01/64/668160164.db2.gz VIBVPNXREFMVHG-HNNXBMFYSA-N 2 2 372.535 0.152 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000772051183 668287688 /nfs/dbraw/zinc/28/76/88/668287688.db2.gz ZGILQFGMEKWZGT-HNNXBMFYSA-N 2 2 357.520 0.956 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000772051183 668287691 /nfs/dbraw/zinc/28/76/91/668287691.db2.gz ZGILQFGMEKWZGT-HNNXBMFYSA-N 2 2 357.520 0.956 20 0 FCADLP CC(C)[C@H](F)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000784398633 668654530 /nfs/dbraw/zinc/65/45/30/668654530.db2.gz SXVRLGJXVYOHNX-KRWDZBQOSA-N 2 2 356.486 0.677 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372884 668875743 /nfs/dbraw/zinc/87/57/43/668875743.db2.gz UJRVELZCBXPKTE-YJBOKZPZSA-N 2 2 350.463 0.709 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372884 668875744 /nfs/dbraw/zinc/87/57/44/668875744.db2.gz UJRVELZCBXPKTE-YJBOKZPZSA-N 2 2 350.463 0.709 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000819078804 668976836 /nfs/dbraw/zinc/97/68/36/668976836.db2.gz ZYMUTCIHVXHVFE-RHSMWYFYSA-N 2 2 355.429 0.994 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000819078511 668976940 /nfs/dbraw/zinc/97/69/40/668976940.db2.gz WWHUFXJXMZKMGV-YJBOKZPZSA-N 2 2 355.429 0.994 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000819078725 668976951 /nfs/dbraw/zinc/97/69/51/668976951.db2.gz YCKMXRMPEOFSGC-CRAIPNDOSA-N 2 2 355.429 0.994 20 0 FCADLP Cc1nnc(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000811881827 669777739 /nfs/dbraw/zinc/77/77/39/669777739.db2.gz BGKSWBSRFCGOQW-CYBMUJFWSA-N 2 2 352.508 0.857 20 0 FCADLP Cc1nnc(CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000811881827 669777742 /nfs/dbraw/zinc/77/77/42/669777742.db2.gz BGKSWBSRFCGOQW-CYBMUJFWSA-N 2 2 352.508 0.857 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000812030842 669784672 /nfs/dbraw/zinc/78/46/72/669784672.db2.gz LMYHLHUUSIDIHG-ULQDDVLXSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000812030842 669784676 /nfs/dbraw/zinc/78/46/76/669784676.db2.gz LMYHLHUUSIDIHG-ULQDDVLXSA-N 2 2 352.479 0.356 20 0 FCADLP CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831165912 669833155 /nfs/dbraw/zinc/83/31/55/669833155.db2.gz RTGOAZRGLLNBTB-BBWFWOEESA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831165912 669833157 /nfs/dbraw/zinc/83/31/57/669833157.db2.gz RTGOAZRGLLNBTB-BBWFWOEESA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)(C)OC(=O)N1CC[C@](O)(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000846876898 671155988 /nfs/dbraw/zinc/15/59/88/671155988.db2.gz ZZWWGUKSUURKRA-KRWDZBQOSA-N 2 2 351.451 0.904 20 0 FCADLP CCOC(=O)N1CCC(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000849099869 671317629 /nfs/dbraw/zinc/31/76/29/671317629.db2.gz SKTWBTYJGBHXJY-UHFFFAOYSA-N 2 2 351.455 0.721 20 0 FCADLP CC1(C)[NH2+]CC[C@@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000925487099 671424738 /nfs/dbraw/zinc/42/47/38/671424738.db2.gz VQXPSBGPPLBURB-HNNXBMFYSA-N 2 2 367.519 0.264 20 0 FCADLP CN(c1cnc(F)cn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000853307346 671546121 /nfs/dbraw/zinc/54/61/21/671546121.db2.gz NGYQLHCAVZNXCB-UHFFFAOYSA-N 2 2 350.442 0.290 20 0 FCADLP C[Si](C)(CC[NH+]1CCn2ncnc2C1)CC[N@@H+]1CCn2ncnc2C1 ZINC000859255859 671804937 /nfs/dbraw/zinc/80/49/37/671804937.db2.gz SCJOKISSOMZUOT-UHFFFAOYSA-N 2 2 360.542 0.909 20 0 FCADLP C[Si](C)(CC[NH+]1CCn2ncnc2C1)CC[N@H+]1CCn2ncnc2C1 ZINC000859255859 671804941 /nfs/dbraw/zinc/80/49/41/671804941.db2.gz SCJOKISSOMZUOT-UHFFFAOYSA-N 2 2 360.542 0.909 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000862643472 672060463 /nfs/dbraw/zinc/06/04/63/672060463.db2.gz ULEAWHPQKYTSRU-LJQANCHMSA-N 2 2 351.491 0.593 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000862643472 672060469 /nfs/dbraw/zinc/06/04/69/672060469.db2.gz ULEAWHPQKYTSRU-LJQANCHMSA-N 2 2 351.491 0.593 20 0 FCADLP CC(C)(CNC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC000864776676 672210492 /nfs/dbraw/zinc/21/04/92/672210492.db2.gz DHGXATCLBWBKFN-DZGCQCFKSA-N 2 2 350.467 0.561 20 0 FCADLP CC(C)[C@@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)N1CC[NH+](C)CC1 ZINC000865410831 672242150 /nfs/dbraw/zinc/24/21/50/672242150.db2.gz JXKNGGZMHJXIDF-QZTJIDSGSA-N 2 2 350.511 0.819 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000872194613 672602369 /nfs/dbraw/zinc/60/23/69/672602369.db2.gz HRAYTWHGXXKPPW-MRXNPFEDSA-N 2 2 350.438 0.838 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879246680 673106839 /nfs/dbraw/zinc/10/68/39/673106839.db2.gz GWFIAXIBBCLBJP-CVEARBPZSA-N 2 2 371.547 0.828 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC001051623849 676106706 /nfs/dbraw/zinc/10/67/06/676106706.db2.gz JSXCYSKXVSZZDY-SOUVJXGZSA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC001051623849 676106708 /nfs/dbraw/zinc/10/67/08/676106708.db2.gz JSXCYSKXVSZZDY-SOUVJXGZSA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(C)no3)C2)CC[N@@H+]1C ZINC001051623122 676106865 /nfs/dbraw/zinc/10/68/65/676106865.db2.gz CNENKQGJZLWCSF-SOUVJXGZSA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(C)no3)C2)CC[N@H+]1C ZINC001051623122 676106866 /nfs/dbraw/zinc/10/68/66/676106866.db2.gz CNENKQGJZLWCSF-SOUVJXGZSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)on1 ZINC001051680940 676108608 /nfs/dbraw/zinc/10/86/08/676108608.db2.gz SVQWQZHNIKGCGV-FVQBIDKESA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)on1 ZINC001051680940 676108612 /nfs/dbraw/zinc/10/86/12/676108612.db2.gz SVQWQZHNIKGCGV-FVQBIDKESA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)no1 ZINC001051681503 676108669 /nfs/dbraw/zinc/10/86/69/676108669.db2.gz XFHWWFFGTYJGED-VNQPRFMTSA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)no1 ZINC001051681503 676108671 /nfs/dbraw/zinc/10/86/71/676108671.db2.gz XFHWWFFGTYJGED-VNQPRFMTSA-N 2 2 352.435 0.019 20 0 FCADLP Cn1nc2c(c1C[NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CSCC2 ZINC000883003640 673363275 /nfs/dbraw/zinc/36/32/75/673363275.db2.gz YSTVEQQUETYTBV-HNNXBMFYSA-N 2 2 365.547 0.706 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@H]2CC[N@@H+]2CC)([NH+]2CCOCC2)C1 ZINC000883606832 673385378 /nfs/dbraw/zinc/38/53/78/673385378.db2.gz CEODFKNMLSPAJR-KLHKWILBSA-N 2 2 354.495 0.650 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@H]2CC[N@H+]2CC)([NH+]2CCOCC2)C1 ZINC000883606832 673385381 /nfs/dbraw/zinc/38/53/81/673385381.db2.gz CEODFKNMLSPAJR-KLHKWILBSA-N 2 2 354.495 0.650 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883652491 673389082 /nfs/dbraw/zinc/38/90/82/673389082.db2.gz PNWJYWCZNHZUDX-OAHLLOKOSA-N 2 2 350.467 0.016 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883652491 673389086 /nfs/dbraw/zinc/38/90/86/673389086.db2.gz PNWJYWCZNHZUDX-OAHLLOKOSA-N 2 2 350.467 0.016 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884527853 673460055 /nfs/dbraw/zinc/46/00/55/673460055.db2.gz AUGUNWJATPXXDK-LBPRGKRZSA-N 2 2 351.357 0.312 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000884686621 673472701 /nfs/dbraw/zinc/47/27/01/673472701.db2.gz QJUSQNZMAHNNKL-MRXNPFEDSA-N 2 2 350.438 0.757 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000884704893 673474973 /nfs/dbraw/zinc/47/49/73/673474973.db2.gz YAYORQCYMVSQGG-CJNGLKHVSA-N 2 2 350.438 0.884 20 0 FCADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884976780 673495306 /nfs/dbraw/zinc/49/53/06/673495306.db2.gz AJHSGIUKFSBNJY-GFCCVEGCSA-N 2 2 351.476 0.057 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755275 673685619 /nfs/dbraw/zinc/68/56/19/673685619.db2.gz FIPIIJDIWYBNRI-KURKYZTESA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755275 673685622 /nfs/dbraw/zinc/68/56/22/673685622.db2.gz FIPIIJDIWYBNRI-KURKYZTESA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000889755275 673685625 /nfs/dbraw/zinc/68/56/25/673685625.db2.gz FIPIIJDIWYBNRI-KURKYZTESA-N 2 2 351.491 0.687 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+]1CCO[C@H](CC)C1 ZINC000889755604 673685842 /nfs/dbraw/zinc/68/58/42/673685842.db2.gz JDURBTOIIJWSMP-BDXSIMOUSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)[N@H+]1CCO[C@H](CC)C1 ZINC000889755604 673685845 /nfs/dbraw/zinc/68/58/45/673685845.db2.gz JDURBTOIIJWSMP-BDXSIMOUSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCO[C@H](CC)C1 ZINC000889755604 673685848 /nfs/dbraw/zinc/68/58/48/673685848.db2.gz JDURBTOIIJWSMP-BDXSIMOUSA-N 2 2 353.507 0.933 20 0 FCADLP CN(C)CC[NH+]1CCC(N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)CC1 ZINC000924465382 673753607 /nfs/dbraw/zinc/75/36/07/673753607.db2.gz SCYDCROSERKLEK-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925585373 673794287 /nfs/dbraw/zinc/79/42/87/673794287.db2.gz PABYCYBWJJYPTD-BRWVUGGUSA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925585376 673794558 /nfs/dbraw/zinc/79/45/58/673794558.db2.gz PABYCYBWJJYPTD-ZACQAIPSSA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000925598756 673796088 /nfs/dbraw/zinc/79/60/88/673796088.db2.gz UPMWSEXMKRNCSE-JKSUJKDBSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000925598756 673796089 /nfs/dbraw/zinc/79/60/89/673796089.db2.gz UPMWSEXMKRNCSE-JKSUJKDBSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000926718661 673840158 /nfs/dbraw/zinc/84/01/58/673840158.db2.gz LNDVPWLQFFCVRO-YOEHRIQHSA-N 2 2 359.536 0.889 20 0 FCADLP CC[C@@]1(COC)NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000927414976 673861686 /nfs/dbraw/zinc/86/16/86/673861686.db2.gz QTOUUPAJOXQINN-SFHVURJKSA-N 2 2 352.479 0.892 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@@H](C)CO1 ZINC000927634010 673871867 /nfs/dbraw/zinc/87/18/67/673871867.db2.gz QXISGJHVFJGPNP-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)[C@@H](C)CO1 ZINC000927634010 673871869 /nfs/dbraw/zinc/87/18/69/673871869.db2.gz QXISGJHVFJGPNP-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[C@@H](C)CO1 ZINC000927634010 673871870 /nfs/dbraw/zinc/87/18/70/673871870.db2.gz QXISGJHVFJGPNP-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@@H](C)CO1 ZINC000927634010 673871872 /nfs/dbraw/zinc/87/18/72/673871872.db2.gz QXISGJHVFJGPNP-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000929189491 673942551 /nfs/dbraw/zinc/94/25/51/673942551.db2.gz QFOQSGKELIZGHX-KGLIPLIRSA-N 2 2 350.488 0.822 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000929189491 673942553 /nfs/dbraw/zinc/94/25/53/673942553.db2.gz QFOQSGKELIZGHX-KGLIPLIRSA-N 2 2 350.488 0.822 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH+](C2CCCC2)CC1 ZINC000929913654 673984882 /nfs/dbraw/zinc/98/48/82/673984882.db2.gz PDXCMIKFHNZIML-MSOLQXFVSA-N 2 2 351.491 0.953 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC000969071933 675268437 /nfs/dbraw/zinc/26/84/37/675268437.db2.gz NTWKRZKLEPEQIL-MRVWCRGKSA-N 2 2 365.503 0.825 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC000969071933 675268439 /nfs/dbraw/zinc/26/84/39/675268439.db2.gz NTWKRZKLEPEQIL-MRVWCRGKSA-N 2 2 365.503 0.825 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001008027439 675305652 /nfs/dbraw/zinc/30/56/52/675305652.db2.gz UBIMWGPFQGONDT-BBWFWOEESA-N 2 2 357.470 0.806 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001008027439 675305656 /nfs/dbraw/zinc/30/56/56/675305656.db2.gz UBIMWGPFQGONDT-BBWFWOEESA-N 2 2 357.470 0.806 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001019032396 675420466 /nfs/dbraw/zinc/42/04/66/675420466.db2.gz VCGCBXWOSFYMSL-FRRDWIJNSA-N 2 2 355.870 0.483 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001019032396 675420467 /nfs/dbraw/zinc/42/04/67/675420467.db2.gz VCGCBXWOSFYMSL-FRRDWIJNSA-N 2 2 355.870 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001038267218 675443095 /nfs/dbraw/zinc/44/30/95/675443095.db2.gz YTCPOSUJPZNJEE-VNQPRFMTSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001038267218 675443096 /nfs/dbraw/zinc/44/30/96/675443096.db2.gz YTCPOSUJPZNJEE-VNQPRFMTSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038267218 675443098 /nfs/dbraw/zinc/44/30/98/675443098.db2.gz YTCPOSUJPZNJEE-VNQPRFMTSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001038267218 675443100 /nfs/dbraw/zinc/44/31/00/675443100.db2.gz YTCPOSUJPZNJEE-VNQPRFMTSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](Cc3cnnn3C)CC2)O1 ZINC001045476819 675654313 /nfs/dbraw/zinc/65/43/13/675654313.db2.gz FJLSOAUTPKNITE-UKRRQHHQSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2(C)CC[NH+](Cc3cnnn3C)CC2)O1 ZINC001045476819 675654316 /nfs/dbraw/zinc/65/43/16/675654316.db2.gz FJLSOAUTPKNITE-UKRRQHHQSA-N 2 2 350.467 0.005 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CCO2)CC1 ZINC000900596261 675697926 /nfs/dbraw/zinc/69/79/26/675697926.db2.gz ACHOWJFMEYSGJZ-KURKYZTESA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CCO2)CC1 ZINC000900596261 675697927 /nfs/dbraw/zinc/69/79/27/675697927.db2.gz ACHOWJFMEYSGJZ-KURKYZTESA-N 2 2 350.507 0.478 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000900614295 675700031 /nfs/dbraw/zinc/70/00/31/675700031.db2.gz POWLTZXCBMVDGA-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000900614295 675700035 /nfs/dbraw/zinc/70/00/35/675700035.db2.gz POWLTZXCBMVDGA-CVEARBPZSA-N 2 2 354.495 0.014 20 0 FCADLP CN(C(=O)CNC(=O)N1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668386 675706071 /nfs/dbraw/zinc/70/60/71/675706071.db2.gz ATUHVVYZBJJTFO-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP CN(C(=O)CNC(=O)N1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668386 675706073 /nfs/dbraw/zinc/70/60/73/675706073.db2.gz ATUHVVYZBJJTFO-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP COC(=O)c1ccn(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000900693149 675708201 /nfs/dbraw/zinc/70/82/01/675708201.db2.gz NETXVIWNESJWRS-UHFFFAOYSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)c1ccn(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000900693149 675708204 /nfs/dbraw/zinc/70/82/04/675708204.db2.gz NETXVIWNESJWRS-UHFFFAOYSA-N 2 2 351.451 0.154 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000900695008 675708415 /nfs/dbraw/zinc/70/84/15/675708415.db2.gz HIKQMXMEPPWBQB-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000900695008 675708417 /nfs/dbraw/zinc/70/84/17/675708417.db2.gz HIKQMXMEPPWBQB-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385265 675796157 /nfs/dbraw/zinc/79/61/57/675796157.db2.gz BPYFBUZDQNUVCA-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2O)CC[N@H+]1C ZINC001047385265 675796160 /nfs/dbraw/zinc/79/61/60/675796160.db2.gz BPYFBUZDQNUVCA-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)CC[NH+]1C ZINC001047385265 675796163 /nfs/dbraw/zinc/79/61/63/675796163.db2.gz BPYFBUZDQNUVCA-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)CC[NH+]1C ZINC001047385265 675796168 /nfs/dbraw/zinc/79/61/68/675796168.db2.gz BPYFBUZDQNUVCA-YVSFHVDLSA-N 2 2 350.463 0.717 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000988514196 1192246431 /nfs/dbraw/zinc/24/64/31/1192246431.db2.gz LJKXREPICOMWII-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000988514196 1192246437 /nfs/dbraw/zinc/24/64/37/1192246437.db2.gz LJKXREPICOMWII-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001020415213 1167808639 /nfs/dbraw/zinc/80/86/39/1167808639.db2.gz OISZICYVEQKWLR-YJNKXOJESA-N 2 2 357.458 0.715 20 0 FCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001020415213 1167808642 /nfs/dbraw/zinc/80/86/42/1167808642.db2.gz OISZICYVEQKWLR-YJNKXOJESA-N 2 2 357.458 0.715 20 0 FCADLP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001020597647 1168135765 /nfs/dbraw/zinc/13/57/65/1168135765.db2.gz BUKSMEVHJRUPHD-JJXSEGSLSA-N 2 2 371.485 0.725 20 0 FCADLP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001020603840 1168148357 /nfs/dbraw/zinc/14/83/57/1168148357.db2.gz PHACFUPXGIPEEF-KBUPBQIOSA-N 2 2 356.430 0.759 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969958191 1168235485 /nfs/dbraw/zinc/23/54/85/1168235485.db2.gz JNBUSRJXKGDEJL-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969958191 1168235489 /nfs/dbraw/zinc/23/54/89/1168235489.db2.gz JNBUSRJXKGDEJL-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970013248 1168278538 /nfs/dbraw/zinc/27/85/38/1168278538.db2.gz QZTINKJTKJGJTK-RBSFLKMASA-N 2 2 357.462 0.834 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001021235545 1168848297 /nfs/dbraw/zinc/84/82/97/1168848297.db2.gz IBIWROAMAKKTJR-ARFHVFGLSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001021235545 1168848302 /nfs/dbraw/zinc/84/83/02/1168848302.db2.gz IBIWROAMAKKTJR-ARFHVFGLSA-N 2 2 359.474 0.506 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCN(C)C1=O ZINC001266571471 1169580129 /nfs/dbraw/zinc/58/01/29/1169580129.db2.gz VEJVAKVLURPNLX-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCN(C)C1=O ZINC001266571471 1169580136 /nfs/dbraw/zinc/58/01/36/1169580136.db2.gz VEJVAKVLURPNLX-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)nn1C ZINC001087141219 1170008621 /nfs/dbraw/zinc/00/86/21/1170008621.db2.gz FMCWEWUJKIVGDK-FHLIZLRMSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)nn1C ZINC001087141219 1170008623 /nfs/dbraw/zinc/00/86/23/1170008623.db2.gz FMCWEWUJKIVGDK-FHLIZLRMSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001087141723 1170009419 /nfs/dbraw/zinc/00/94/19/1170009419.db2.gz UPTSTFBHRVWILT-FHLIZLRMSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001087141723 1170009425 /nfs/dbraw/zinc/00/94/25/1170009425.db2.gz UPTSTFBHRVWILT-FHLIZLRMSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1nccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141871 1170009730 /nfs/dbraw/zinc/00/97/30/1170009730.db2.gz YTQJAUXVWRVSIR-HFTRVMKXSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1nccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141871 1170009733 /nfs/dbraw/zinc/00/97/33/1170009733.db2.gz YTQJAUXVWRVSIR-HFTRVMKXSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4[nH+]ccn4C)C[C@H]32)CC[N@@H+]1C ZINC001021801821 1170076000 /nfs/dbraw/zinc/07/60/00/1170076000.db2.gz OUUICZMXWQGJGM-YYIAUSFCSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4[nH+]ccn4C)C[C@H]32)CC[N@H+]1C ZINC001021801821 1170076006 /nfs/dbraw/zinc/07/60/06/1170076006.db2.gz OUUICZMXWQGJGM-YYIAUSFCSA-N 2 2 373.501 0.752 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC000988726058 1192408844 /nfs/dbraw/zinc/40/88/44/1192408844.db2.gz QEYKMYYYBBLWCI-VYDXJSESSA-N 2 2 370.457 0.756 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988727896 1192409790 /nfs/dbraw/zinc/40/97/90/1192409790.db2.gz PGRBIJJJWMRYMU-PMPSAXMXSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988730397 1192414421 /nfs/dbraw/zinc/41/44/21/1192414421.db2.gz OAJRECNHMRBYCO-VYDXJSESSA-N 2 2 371.485 0.647 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001022094811 1170619258 /nfs/dbraw/zinc/61/92/58/1170619258.db2.gz ITWPRMFRYRFUCF-NQNKBUKLSA-N 2 2 371.485 0.621 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104367156 1170648660 /nfs/dbraw/zinc/64/86/60/1170648660.db2.gz JDYUXWIAMYSAEL-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104367125 1170649153 /nfs/dbraw/zinc/64/91/53/1170649153.db2.gz IDMAWUPABLTZLA-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001022210764 1170750044 /nfs/dbraw/zinc/75/00/44/1170750044.db2.gz JGNGIBCTXMJEOL-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001022210764 1170750055 /nfs/dbraw/zinc/75/00/55/1170750055.db2.gz JGNGIBCTXMJEOL-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001022256961 1170810024 /nfs/dbraw/zinc/81/00/24/1170810024.db2.gz ROFSZKBYWVHVIQ-WMLDXEAASA-N 2 2 364.409 0.973 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nnnn1C1CC1 ZINC001022274948 1170823891 /nfs/dbraw/zinc/82/38/91/1170823891.db2.gz FBHRHUGHRLGSRN-GEJOOGBSSA-N 2 2 363.466 0.025 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nnnn1C1CC1 ZINC001022274948 1170823892 /nfs/dbraw/zinc/82/38/92/1170823892.db2.gz FBHRHUGHRLGSRN-GEJOOGBSSA-N 2 2 363.466 0.025 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C1CC1 ZINC001022277169 1170824722 /nfs/dbraw/zinc/82/47/22/1170824722.db2.gz WSVHKQUPIPJSFC-OEYIWLLWSA-N 2 2 362.478 0.377 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C1CC1 ZINC001022277169 1170824725 /nfs/dbraw/zinc/82/47/25/1170824725.db2.gz WSVHKQUPIPJSFC-OEYIWLLWSA-N 2 2 362.478 0.377 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891749819 1170843623 /nfs/dbraw/zinc/84/36/23/1170843623.db2.gz YNILULIPQBMXQI-IAGOWNOFSA-N 2 2 367.538 0.253 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891749819 1170843624 /nfs/dbraw/zinc/84/36/24/1170843624.db2.gz YNILULIPQBMXQI-IAGOWNOFSA-N 2 2 367.538 0.253 20 0 FCADLP CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691253826 1170892234 /nfs/dbraw/zinc/89/22/34/1170892234.db2.gz RGYPOSQNGRNFQP-UONOGXRCSA-N 2 2 364.494 0.924 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001087193822 1171393922 /nfs/dbraw/zinc/39/39/22/1171393922.db2.gz NSRNALZDXTYGBA-PMPSAXMXSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](CC(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)n1cc[nH+]c1 ZINC000972183795 1171830581 /nfs/dbraw/zinc/83/05/81/1171830581.db2.gz ZKXHNAONIZNODT-GVDBMIGSSA-N 2 2 371.485 0.989 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001022736474 1171839448 /nfs/dbraw/zinc/83/94/48/1171839448.db2.gz UZLAXDDLCROYCS-XJFOESAGSA-N 2 2 355.446 0.956 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001022736681 1171839625 /nfs/dbraw/zinc/83/96/25/1171839625.db2.gz ZRJQLJGJSQHQSF-AALSBFMBSA-N 2 2 359.474 0.677 20 0 FCADLP COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=[NH2+])cc3)[C@@H]2C1 ZINC001272134087 1192560536 /nfs/dbraw/zinc/56/05/36/1192560536.db2.gz DPBTVSNCLOFGND-GOEBONIOSA-N 2 2 361.446 0.759 20 0 FCADLP COCCOC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=[NH2+])cc3)[C@@H]2C1 ZINC001272134087 1192560540 /nfs/dbraw/zinc/56/05/40/1192560540.db2.gz DPBTVSNCLOFGND-GOEBONIOSA-N 2 2 361.446 0.759 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000988949580 1192585580 /nfs/dbraw/zinc/58/55/80/1192585580.db2.gz ZHAFODJENOAWBW-COXVUDFISA-N 2 2 371.441 0.384 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000988949580 1192585587 /nfs/dbraw/zinc/58/55/87/1192585587.db2.gz ZHAFODJENOAWBW-COXVUDFISA-N 2 2 371.441 0.384 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000988990826 1192618209 /nfs/dbraw/zinc/61/82/09/1192618209.db2.gz NXXIUDZCIXVLIS-ZBFHGGJFSA-N 2 2 358.446 0.663 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000989050070 1192654383 /nfs/dbraw/zinc/65/43/83/1192654383.db2.gz FRIKRQOLSKVDEK-COXVUDFISA-N 2 2 359.474 0.410 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)CC[N@@H+]1C ZINC000989051022 1192659126 /nfs/dbraw/zinc/65/91/26/1192659126.db2.gz CIZHNUWBCSBMRT-BSWAZPDLSA-N 2 2 361.490 0.799 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)CC[N@H+]1C ZINC000989051022 1192659131 /nfs/dbraw/zinc/65/91/31/1192659131.db2.gz CIZHNUWBCSBMRT-BSWAZPDLSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088678189 1192817162 /nfs/dbraw/zinc/81/71/62/1192817162.db2.gz JTBFNMHHTRTQRO-OIISXLGYSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088678189 1192817163 /nfs/dbraw/zinc/81/71/63/1192817163.db2.gz JTBFNMHHTRTQRO-OIISXLGYSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088674693 1192816879 /nfs/dbraw/zinc/81/68/79/1192816879.db2.gz UJYNIXCFDBDOBP-HFTRVMKXSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088674693 1192816880 /nfs/dbraw/zinc/81/68/80/1192816880.db2.gz UJYNIXCFDBDOBP-HFTRVMKXSA-N 2 2 369.469 0.923 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088680035 1192817953 /nfs/dbraw/zinc/81/79/53/1192817953.db2.gz AYRIWLXKHHFRAN-YUELXQCFSA-N 2 2 357.462 0.694 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)C2 ZINC001088680035 1192817954 /nfs/dbraw/zinc/81/79/54/1192817954.db2.gz AYRIWLXKHHFRAN-YUELXQCFSA-N 2 2 357.462 0.694 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088680035 1192817956 /nfs/dbraw/zinc/81/79/56/1192817956.db2.gz AYRIWLXKHHFRAN-YUELXQCFSA-N 2 2 357.462 0.694 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](CCn3cncn3)[C@@H]1C)CC2 ZINC001088680035 1192817957 /nfs/dbraw/zinc/81/79/57/1192817957.db2.gz AYRIWLXKHHFRAN-YUELXQCFSA-N 2 2 357.462 0.694 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccn4nnnc34)CC2)CC1 ZINC000897998368 1192852883 /nfs/dbraw/zinc/85/28/83/1192852883.db2.gz QMRPWMRXBUKPMM-UHFFFAOYSA-N 2 2 357.462 0.757 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccn4nnnc34)CC2)CC1 ZINC000897998368 1192852886 /nfs/dbraw/zinc/85/28/86/1192852886.db2.gz QMRPWMRXBUKPMM-UHFFFAOYSA-N 2 2 357.462 0.757 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001075943652 1192872337 /nfs/dbraw/zinc/87/23/37/1192872337.db2.gz ZYNJJDJXIGTZDD-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001075943652 1192872338 /nfs/dbraw/zinc/87/23/38/1192872338.db2.gz ZYNJJDJXIGTZDD-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001075943652 1192872340 /nfs/dbraw/zinc/87/23/40/1192872340.db2.gz ZYNJJDJXIGTZDD-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)ccn1 ZINC001075943652 1192872342 /nfs/dbraw/zinc/87/23/42/1192872342.db2.gz ZYNJJDJXIGTZDD-BZZMCLGOSA-N 2 2 374.485 0.842 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888985241 1178893214 /nfs/dbraw/zinc/89/32/14/1178893214.db2.gz QIPJEFAUHIWCAT-UHFFFAOYSA-N 2 2 359.478 0.542 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888985241 1178893215 /nfs/dbraw/zinc/89/32/15/1178893215.db2.gz QIPJEFAUHIWCAT-UHFFFAOYSA-N 2 2 359.478 0.542 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211586151 1179146613 /nfs/dbraw/zinc/14/66/13/1179146613.db2.gz GJNZFOAYIBMCBJ-JKSUJKDBSA-N 2 2 355.442 0.673 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342665 1179164839 /nfs/dbraw/zinc/16/48/39/1179164839.db2.gz LPGDYFNVEDUTAV-KRWDZBQOSA-N 2 2 362.474 0.167 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083259751 1179328525 /nfs/dbraw/zinc/32/85/25/1179328525.db2.gz PZGZOTMRZGPBIW-BHYGNILZSA-N 2 2 362.474 0.987 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083259751 1179328532 /nfs/dbraw/zinc/32/85/32/1179328532.db2.gz PZGZOTMRZGPBIW-BHYGNILZSA-N 2 2 362.474 0.987 20 0 FCADLP CCn1nncc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451570 1179758901 /nfs/dbraw/zinc/75/89/01/1179758901.db2.gz QNTNYOJFTQWYBE-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451570 1179758911 /nfs/dbraw/zinc/75/89/11/1179758911.db2.gz QNTNYOJFTQWYBE-BFYDXBDKSA-N 2 2 364.494 0.345 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083262071 1179887752 /nfs/dbraw/zinc/88/77/52/1179887752.db2.gz AHXRNDMPJRLPCG-ZWKOTPCHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083262071 1179887753 /nfs/dbraw/zinc/88/77/53/1179887753.db2.gz AHXRNDMPJRLPCG-ZWKOTPCHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001023600454 1179905605 /nfs/dbraw/zinc/90/56/05/1179905605.db2.gz GGEMIZVBRKKAOV-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001023600454 1179905618 /nfs/dbraw/zinc/90/56/18/1179905618.db2.gz GGEMIZVBRKKAOV-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21)[NH+](C)C ZINC000972666129 1180223873 /nfs/dbraw/zinc/22/38/73/1180223873.db2.gz VGOBXPRACOVANX-NUJGCVRESA-N 2 2 361.490 0.919 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)CC[N@@H+]1C ZINC000972727776 1180659347 /nfs/dbraw/zinc/65/93/47/1180659347.db2.gz TZXCXMQDUCZJJC-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)CC[N@H+]1C ZINC000972727776 1180659384 /nfs/dbraw/zinc/65/93/84/1180659384.db2.gz TZXCXMQDUCZJJC-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@@H+]1C ZINC000972727776 1180659426 /nfs/dbraw/zinc/65/94/26/1180659426.db2.gz TZXCXMQDUCZJJC-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@H+]1C ZINC000972727776 1180659467 /nfs/dbraw/zinc/65/94/67/1180659467.db2.gz TZXCXMQDUCZJJC-MUIFIZLQSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3ncnc4c3C[NH+](C)CC4)C2)CC[N@@H+]1C ZINC001058579967 1181211273 /nfs/dbraw/zinc/21/12/73/1181211273.db2.gz BKPADHZUBRFDHD-RBSFLKMASA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3ncnc4c3C[NH+](C)CC4)C2)CC[N@H+]1C ZINC001058579967 1181211279 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CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)[NH+]1CCOCC1 ZINC000332705593 1187536539 /nfs/dbraw/zinc/53/65/39/1187536539.db2.gz VQQYXDVAGFWIKI-ZACQAIPSSA-N 2 2 369.506 0.075 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)[NH+]1CCOCC1 ZINC000332705593 1187536543 /nfs/dbraw/zinc/53/65/43/1187536543.db2.gz VQQYXDVAGFWIKI-ZACQAIPSSA-N 2 2 369.506 0.075 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645008 1187583396 /nfs/dbraw/zinc/58/33/96/1187583396.db2.gz KYSSYEDVEQOQAO-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645008 1187583400 /nfs/dbraw/zinc/58/34/00/1187583400.db2.gz KYSSYEDVEQOQAO-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645008 1187583403 /nfs/dbraw/zinc/58/34/03/1187583403.db2.gz KYSSYEDVEQOQAO-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645008 1187583405 /nfs/dbraw/zinc/58/34/05/1187583405.db2.gz KYSSYEDVEQOQAO-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001028550716 1187602200 /nfs/dbraw/zinc/60/22/00/1187602200.db2.gz RQFNUAYYRNAFHX-RBSFLKMASA-N 2 2 360.462 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)Nc3cnccn3)C2)CC[N@H+]1C ZINC001028550716 1187602204 /nfs/dbraw/zinc/60/22/04/1187602204.db2.gz RQFNUAYYRNAFHX-RBSFLKMASA-N 2 2 360.462 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001028550716 1187602207 /nfs/dbraw/zinc/60/22/07/1187602207.db2.gz RQFNUAYYRNAFHX-RBSFLKMASA-N 2 2 360.462 0.193 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)Nc3cnccn3)C2)CC[NH+]1C ZINC001028550716 1187602210 /nfs/dbraw/zinc/60/22/10/1187602210.db2.gz RQFNUAYYRNAFHX-RBSFLKMASA-N 2 2 360.462 0.193 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001028552134 1187604460 /nfs/dbraw/zinc/60/44/60/1187604460.db2.gz HPTKKSBQKDKYPM-HRCADAONSA-N 2 2 366.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001028552134 1187604465 /nfs/dbraw/zinc/60/44/65/1187604465.db2.gz HPTKKSBQKDKYPM-HRCADAONSA-N 2 2 366.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028552134 1187604470 /nfs/dbraw/zinc/60/44/70/1187604470.db2.gz HPTKKSBQKDKYPM-HRCADAONSA-N 2 2 366.485 0.916 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028552134 1187604473 /nfs/dbraw/zinc/60/44/73/1187604473.db2.gz HPTKKSBQKDKYPM-HRCADAONSA-N 2 2 366.485 0.916 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083372868 1187694370 /nfs/dbraw/zinc/69/43/70/1187694370.db2.gz IVOBLVSARPNNTF-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083372868 1187694374 /nfs/dbraw/zinc/69/43/74/1187694374.db2.gz IVOBLVSARPNNTF-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)cc1 ZINC001083372868 1187694379 /nfs/dbraw/zinc/69/43/79/1187694379.db2.gz IVOBLVSARPNNTF-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)cc1 ZINC001083372868 1187694386 /nfs/dbraw/zinc/69/43/86/1187694386.db2.gz IVOBLVSARPNNTF-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP CCc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083373253 1187694960 /nfs/dbraw/zinc/69/49/60/1187694960.db2.gz XNFPSFKDJFEFAT-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083373253 1187694964 /nfs/dbraw/zinc/69/49/64/1187694964.db2.gz XNFPSFKDJFEFAT-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083373253 1187694970 /nfs/dbraw/zinc/69/49/70/1187694970.db2.gz XNFPSFKDJFEFAT-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083373253 1187694974 /nfs/dbraw/zinc/69/49/74/1187694974.db2.gz XNFPSFKDJFEFAT-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372945 1187695513 /nfs/dbraw/zinc/69/55/13/1187695513.db2.gz LOTDSXQNJDCLIW-SQNIBIBYSA-N 2 2 359.470 0.983 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372945 1187695519 /nfs/dbraw/zinc/69/55/19/1187695519.db2.gz LOTDSXQNJDCLIW-SQNIBIBYSA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372945 1187695522 /nfs/dbraw/zinc/69/55/22/1187695522.db2.gz LOTDSXQNJDCLIW-SQNIBIBYSA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@@H]1O ZINC001083372945 1187695525 /nfs/dbraw/zinc/69/55/25/1187695525.db2.gz LOTDSXQNJDCLIW-SQNIBIBYSA-N 2 2 359.470 0.983 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333433728 1187740654 /nfs/dbraw/zinc/74/06/54/1187740654.db2.gz KEHISOAKEWGCJA-CVEARBPZSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000333433728 1187740663 /nfs/dbraw/zinc/74/06/63/1187740663.db2.gz KEHISOAKEWGCJA-CVEARBPZSA-N 2 2 362.478 0.964 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000545883947 1187805681 /nfs/dbraw/zinc/80/56/81/1187805681.db2.gz KCGIFEBDKUMYOJ-LJQANCHMSA-N 2 2 362.474 0.385 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000545883947 1187805683 /nfs/dbraw/zinc/80/56/83/1187805683.db2.gz KCGIFEBDKUMYOJ-LJQANCHMSA-N 2 2 362.474 0.385 20 0 FCADLP CCc1[nH]c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1C(=O)OC ZINC000894257123 1187816208 /nfs/dbraw/zinc/81/62/08/1187816208.db2.gz ZHTHMPVTGCPIIG-OAHLLOKOSA-N 2 2 364.490 0.860 20 0 FCADLP CN(CC(=O)N1CC2(C1)CC[N@H+](Cc1nc3ccccc3[nH]1)C2)C(N)=[NH2+] ZINC001269992774 1187962468 /nfs/dbraw/zinc/96/24/68/1187962468.db2.gz YIWKSVDAYMIPAF-UHFFFAOYSA-N 2 2 355.446 0.422 20 0 FCADLP CN(CC(=O)N1CC2(C1)CC[N@@H+](Cc1nc3ccccc3[nH]1)C2)C(N)=[NH2+] ZINC001269992774 1187962471 /nfs/dbraw/zinc/96/24/71/1187962471.db2.gz YIWKSVDAYMIPAF-UHFFFAOYSA-N 2 2 355.446 0.422 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(=O)Nc2cn[nH]c2)c1 ZINC001270060304 1187982086 /nfs/dbraw/zinc/98/20/86/1187982086.db2.gz BOKNTBIQUXKOGZ-ZIAGYGMSSA-N 2 2 359.434 0.276 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001270155338 1188032464 /nfs/dbraw/zinc/03/24/64/1188032464.db2.gz JTKYOIRCZAMFGL-INIZCTEOSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001270155338 1188032469 /nfs/dbraw/zinc/03/24/69/1188032469.db2.gz JTKYOIRCZAMFGL-INIZCTEOSA-N 2 2 359.474 0.855 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)n1 ZINC001075744268 1188059434 /nfs/dbraw/zinc/05/94/34/1188059434.db2.gz IBUQPRMFGFVPHY-JKSUJKDBSA-N 2 2 357.462 0.784 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)n1 ZINC001075744268 1188059436 /nfs/dbraw/zinc/05/94/36/1188059436.db2.gz IBUQPRMFGFVPHY-JKSUJKDBSA-N 2 2 357.462 0.784 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001270334158 1188099289 /nfs/dbraw/zinc/09/92/89/1188099289.db2.gz YPINNWRDCZLIOK-USXIJHARSA-N 2 2 359.474 0.854 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001270334158 1188099293 /nfs/dbraw/zinc/09/92/93/1188099293.db2.gz YPINNWRDCZLIOK-USXIJHARSA-N 2 2 359.474 0.854 20 0 FCADLP C[N@@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334010 1188099316 /nfs/dbraw/zinc/09/93/16/1188099316.db2.gz WHQYBLLREGQYLB-LPHOPBHVSA-N 2 2 359.474 0.676 20 0 FCADLP C[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334010 1188099321 /nfs/dbraw/zinc/09/93/21/1188099321.db2.gz WHQYBLLREGQYLB-LPHOPBHVSA-N 2 2 359.474 0.676 20 0 FCADLP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332493 1188099996 /nfs/dbraw/zinc/09/99/96/1188099996.db2.gz KIGYLVLBAFLVSN-LPHOPBHVSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332493 1188100002 /nfs/dbraw/zinc/10/00/02/1188100002.db2.gz KIGYLVLBAFLVSN-LPHOPBHVSA-N 2 2 359.474 0.818 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001270332499 1188100026 /nfs/dbraw/zinc/10/00/26/1188100026.db2.gz KJIXZUCRVARAIG-DNVCBOLYSA-N 2 2 359.474 0.713 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001270332499 1188100030 /nfs/dbraw/zinc/10/00/30/1188100030.db2.gz KJIXZUCRVARAIG-DNVCBOLYSA-N 2 2 359.474 0.713 20 0 FCADLP C[C@@H](C(=O)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1)[NH+]1CCCC1 ZINC001270490556 1188174601 /nfs/dbraw/zinc/17/46/01/1188174601.db2.gz NDCHGQXXUXCWKZ-QFBILLFUSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@H](C(=O)N1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O)[NH+]1CCCC1 ZINC001270490756 1188175895 /nfs/dbraw/zinc/17/58/95/1188175895.db2.gz RBMBGYSDTINTBK-DNVCBOLYSA-N 2 2 359.474 0.998 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC000894465265 1188221062 /nfs/dbraw/zinc/22/10/62/1188221062.db2.gz JWWSRXUMSCNPNQ-LRYGQEGESA-N 2 2 368.522 0.897 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC000894465265 1188221065 /nfs/dbraw/zinc/22/10/65/1188221065.db2.gz JWWSRXUMSCNPNQ-LRYGQEGESA-N 2 2 368.522 0.897 20 0 FCADLP Cc1noc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001029111871 1188293666 /nfs/dbraw/zinc/29/36/66/1188293666.db2.gz QGBXMZVIIQXFKY-DVOMOZLQSA-N 2 2 365.478 0.814 20 0 FCADLP Cc1noc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001029111871 1188293670 /nfs/dbraw/zinc/29/36/70/1188293670.db2.gz QGBXMZVIIQXFKY-DVOMOZLQSA-N 2 2 365.478 0.814 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001691516205 1188400887 /nfs/dbraw/zinc/40/08/87/1188400887.db2.gz YRVNVFAEWSARSO-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001691516205 1188400890 /nfs/dbraw/zinc/40/08/90/1188400890.db2.gz YRVNVFAEWSARSO-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)NCC1CC1 ZINC001691516205 1188400896 /nfs/dbraw/zinc/40/08/96/1188400896.db2.gz YRVNVFAEWSARSO-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)NCC1CC1 ZINC001691516205 1188400904 /nfs/dbraw/zinc/40/09/04/1188400904.db2.gz YRVNVFAEWSARSO-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP O=C(CC[NH+]1CCCC1)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271061405 1189546551 /nfs/dbraw/zinc/54/65/51/1189546551.db2.gz NFZMMLHDXKSCHE-LJQANCHMSA-N 2 2 359.474 0.963 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087631317 1189680712 /nfs/dbraw/zinc/68/07/12/1189680712.db2.gz UYIXEWVRURQAKU-XOKHGSTOSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087631317 1189680717 /nfs/dbraw/zinc/68/07/17/1189680717.db2.gz UYIXEWVRURQAKU-XOKHGSTOSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1CCn1cncn1 ZINC001087633904 1189682594 /nfs/dbraw/zinc/68/25/94/1189682594.db2.gz BFTUGQSDPYKRIP-GOEBONIOSA-N 2 2 361.450 0.611 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1CCn1cncn1 ZINC001087633904 1189682603 /nfs/dbraw/zinc/68/26/03/1189682603.db2.gz BFTUGQSDPYKRIP-GOEBONIOSA-N 2 2 361.450 0.611 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550518747 1189810415 /nfs/dbraw/zinc/81/04/15/1189810415.db2.gz IIVPLWJCZVWMFN-JKSUJKDBSA-N 2 2 367.538 0.070 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550518747 1189810416 /nfs/dbraw/zinc/81/04/16/1189810416.db2.gz IIVPLWJCZVWMFN-JKSUJKDBSA-N 2 2 367.538 0.070 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550518747 1189810417 /nfs/dbraw/zinc/81/04/17/1189810417.db2.gz IIVPLWJCZVWMFN-JKSUJKDBSA-N 2 2 367.538 0.070 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550518746 1189810683 /nfs/dbraw/zinc/81/06/83/1189810683.db2.gz IIVPLWJCZVWMFN-HZPDHXFCSA-N 2 2 367.538 0.070 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550518746 1189810684 /nfs/dbraw/zinc/81/06/84/1189810684.db2.gz IIVPLWJCZVWMFN-HZPDHXFCSA-N 2 2 367.538 0.070 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000550518746 1189810685 /nfs/dbraw/zinc/81/06/85/1189810685.db2.gz IIVPLWJCZVWMFN-HZPDHXFCSA-N 2 2 367.538 0.070 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001087797856 1189828658 /nfs/dbraw/zinc/82/86/58/1189828658.db2.gz MDKTZWHCWLPYBX-BHYGNILZSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@@H]1CCNC(=O)CC1 ZINC001087797856 1189828663 /nfs/dbraw/zinc/82/86/63/1189828663.db2.gz MDKTZWHCWLPYBX-BHYGNILZSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cnc(C)nc1 ZINC001087836677 1189845244 /nfs/dbraw/zinc/84/52/44/1189845244.db2.gz DCEPCJXUGPFKSK-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cnc(C)nc1 ZINC001087836677 1189845247 /nfs/dbraw/zinc/84/52/47/1189845247.db2.gz DCEPCJXUGPFKSK-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)nc1 ZINC001087836677 1189845248 /nfs/dbraw/zinc/84/52/48/1189845248.db2.gz DCEPCJXUGPFKSK-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)nc1 ZINC001087836677 1189845250 /nfs/dbraw/zinc/84/52/50/1189845250.db2.gz DCEPCJXUGPFKSK-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895463698 1189859332 /nfs/dbraw/zinc/85/93/32/1189859332.db2.gz ANESIKBLOAQPNC-RBUKOAKNSA-N 2 2 359.470 0.724 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895463698 1189859333 /nfs/dbraw/zinc/85/93/33/1189859333.db2.gz ANESIKBLOAQPNC-RBUKOAKNSA-N 2 2 359.470 0.724 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920711 1189907936 /nfs/dbraw/zinc/90/79/36/1189907936.db2.gz YEVUGTFBWPLPNW-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920711 1189907949 /nfs/dbraw/zinc/90/79/49/1189907949.db2.gz YEVUGTFBWPLPNW-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920711 1189907959 /nfs/dbraw/zinc/90/79/59/1189907959.db2.gz YEVUGTFBWPLPNW-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)cn1 ZINC001087920711 1189907967 /nfs/dbraw/zinc/90/79/67/1189907967.db2.gz YEVUGTFBWPLPNW-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963827 1190009108 /nfs/dbraw/zinc/00/91/08/1190009108.db2.gz JEFNHKSZWMFICN-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963827 1190009113 /nfs/dbraw/zinc/00/91/13/1190009113.db2.gz JEFNHKSZWMFICN-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963827 1190009117 /nfs/dbraw/zinc/00/91/17/1190009117.db2.gz JEFNHKSZWMFICN-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087963827 1190009119 /nfs/dbraw/zinc/00/91/19/1190009119.db2.gz JEFNHKSZWMFICN-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964680 1190011707 /nfs/dbraw/zinc/01/17/07/1190011707.db2.gz WDLJUEXERNBSNZ-PMPSAXMXSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964680 1190011714 /nfs/dbraw/zinc/01/17/14/1190011714.db2.gz WDLJUEXERNBSNZ-PMPSAXMXSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964680 1190011721 /nfs/dbraw/zinc/01/17/21/1190011721.db2.gz WDLJUEXERNBSNZ-PMPSAXMXSA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964680 1190011724 /nfs/dbraw/zinc/01/17/24/1190011724.db2.gz WDLJUEXERNBSNZ-PMPSAXMXSA-N 2 2 361.494 0.363 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984697906 1190075275 /nfs/dbraw/zinc/07/52/75/1190075275.db2.gz XMUXKVIKPHYXFM-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984697906 1190075277 /nfs/dbraw/zinc/07/52/77/1190075277.db2.gz XMUXKVIKPHYXFM-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C2CC2)C1 ZINC000984824298 1190162869 /nfs/dbraw/zinc/16/28/69/1190162869.db2.gz KAZWXIKWNGKTGQ-QHSBEEBCSA-N 2 2 370.461 0.530 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000984823768 1190163266 /nfs/dbraw/zinc/16/32/66/1190163266.db2.gz CFVFYGGZZORKPX-QCODTGAPSA-N 2 2 359.474 0.629 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088009651 1190204979 /nfs/dbraw/zinc/20/49/79/1190204979.db2.gz OTWBYJRJIBSALC-OWCLPIDISA-N 2 2 361.490 0.971 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088009651 1190204984 /nfs/dbraw/zinc/20/49/84/1190204984.db2.gz OTWBYJRJIBSALC-OWCLPIDISA-N 2 2 361.490 0.971 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018823 1190230781 /nfs/dbraw/zinc/23/07/81/1190230781.db2.gz MSDSFQRGKYPJGL-IKGGRYGDSA-N 2 2 371.485 0.458 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018823 1190230785 /nfs/dbraw/zinc/23/07/85/1190230785.db2.gz MSDSFQRGKYPJGL-IKGGRYGDSA-N 2 2 371.485 0.458 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001691524099 1190234429 /nfs/dbraw/zinc/23/44/29/1190234429.db2.gz YGLQZZFDQPKDFN-DTZQCDIJSA-N 2 2 359.474 0.534 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026321 1190260162 /nfs/dbraw/zinc/26/01/62/1190260162.db2.gz CROBGBSVAUWODZ-CVEARBPZSA-N 2 2 358.490 0.724 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026321 1190260165 /nfs/dbraw/zinc/26/01/65/1190260165.db2.gz CROBGBSVAUWODZ-CVEARBPZSA-N 2 2 358.490 0.724 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000984922197 1190276148 /nfs/dbraw/zinc/27/61/48/1190276148.db2.gz YGVHJGOEWAGHAQ-OWCLPIDISA-N 2 2 359.474 0.790 20 0 FCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053136 1190319100 /nfs/dbraw/zinc/31/91/00/1190319100.db2.gz VWEMMEDNHAOTHC-QYZOEREBSA-N 2 2 365.518 0.914 20 0 FCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053136 1190319105 /nfs/dbraw/zinc/31/91/05/1190319105.db2.gz VWEMMEDNHAOTHC-QYZOEREBSA-N 2 2 365.518 0.914 20 0 FCADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053136 1190319107 /nfs/dbraw/zinc/31/91/07/1190319107.db2.gz VWEMMEDNHAOTHC-QYZOEREBSA-N 2 2 365.518 0.914 20 0 FCADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053136 1190319111 /nfs/dbraw/zinc/31/91/11/1190319111.db2.gz VWEMMEDNHAOTHC-QYZOEREBSA-N 2 2 365.518 0.914 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088058948 1190325229 /nfs/dbraw/zinc/32/52/29/1190325229.db2.gz AWBVDRPFFBSBHI-CVEARBPZSA-N 2 2 357.462 0.865 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088058948 1190325233 /nfs/dbraw/zinc/32/52/33/1190325233.db2.gz AWBVDRPFFBSBHI-CVEARBPZSA-N 2 2 357.462 0.865 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nncn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081759 1190466830 /nfs/dbraw/zinc/46/68/30/1190466830.db2.gz CWHQHLHXEZAVSL-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nncn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081759 1190466839 /nfs/dbraw/zinc/46/68/39/1190466839.db2.gz CWHQHLHXEZAVSL-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081759 1190466846 /nfs/dbraw/zinc/46/68/46/1190466846.db2.gz CWHQHLHXEZAVSL-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081759 1190466858 /nfs/dbraw/zinc/46/68/58/1190466858.db2.gz CWHQHLHXEZAVSL-NXOAAHMSSA-N 2 2 360.506 0.826 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001271366763 1190490566 /nfs/dbraw/zinc/49/05/66/1190490566.db2.gz CSOQNEKSPLFXIP-SFHVURJKSA-N 2 2 361.446 0.272 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001271366763 1190490570 /nfs/dbraw/zinc/49/05/70/1190490570.db2.gz CSOQNEKSPLFXIP-SFHVURJKSA-N 2 2 361.446 0.272 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090609 1190541572 /nfs/dbraw/zinc/54/15/72/1190541572.db2.gz YAUVWGILTLGDDK-IMJJTQAJSA-N 2 2 361.494 0.393 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090609 1190541585 /nfs/dbraw/zinc/54/15/85/1190541585.db2.gz YAUVWGILTLGDDK-IMJJTQAJSA-N 2 2 361.494 0.393 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)n1 ZINC001088104980 1190589864 /nfs/dbraw/zinc/58/98/64/1190589864.db2.gz MEJDKDUGJZBGHY-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@@H]3C2)n1 ZINC001088104980 1190589877 /nfs/dbraw/zinc/58/98/77/1190589877.db2.gz MEJDKDUGJZBGHY-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@@H]3C2)n1 ZINC001088104980 1190589887 /nfs/dbraw/zinc/58/98/87/1190589887.db2.gz MEJDKDUGJZBGHY-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@@H]3C2)n1 ZINC001088104980 1190589911 /nfs/dbraw/zinc/58/99/11/1190589911.db2.gz MEJDKDUGJZBGHY-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1)[NH+](C)C ZINC001088110349 1190600205 /nfs/dbraw/zinc/60/02/05/1190600205.db2.gz WKPNSRRPKXGZQX-ILXRZTDVSA-N 2 2 363.462 0.734 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1)[NH+](C)C ZINC001088110349 1190600213 /nfs/dbraw/zinc/60/02/13/1190600213.db2.gz WKPNSRRPKXGZQX-ILXRZTDVSA-N 2 2 363.462 0.734 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088111530 1190602550 /nfs/dbraw/zinc/60/25/50/1190602550.db2.gz FFWXQHMUUNXMCG-YYIAUSFCSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088111530 1190602556 /nfs/dbraw/zinc/60/25/56/1190602556.db2.gz FFWXQHMUUNXMCG-YYIAUSFCSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)n1 ZINC001088130319 1190632030 /nfs/dbraw/zinc/63/20/30/1190632030.db2.gz IHCGBWDNEQZFPY-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@@H]3C2)n1 ZINC001088130319 1190632045 /nfs/dbraw/zinc/63/20/45/1190632045.db2.gz IHCGBWDNEQZFPY-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075866483 1190716580 /nfs/dbraw/zinc/71/65/80/1190716580.db2.gz FRZQQPSXZQUPRQ-NUEKZKHPSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075866483 1190716583 /nfs/dbraw/zinc/71/65/83/1190716583.db2.gz FRZQQPSXZQUPRQ-NUEKZKHPSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075866483 1190716587 /nfs/dbraw/zinc/71/65/87/1190716587.db2.gz FRZQQPSXZQUPRQ-NUEKZKHPSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001075866483 1190716589 /nfs/dbraw/zinc/71/65/89/1190716589.db2.gz FRZQQPSXZQUPRQ-NUEKZKHPSA-N 2 2 355.446 0.654 20 0 FCADLP Cc1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001088335698 1190752248 /nfs/dbraw/zinc/75/22/48/1190752248.db2.gz KTTJJFMQRHLDJT-VNQPRFMTSA-N 2 2 365.478 0.958 20 0 FCADLP Cc1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001088335698 1190752256 /nfs/dbraw/zinc/75/22/56/1190752256.db2.gz KTTJJFMQRHLDJT-VNQPRFMTSA-N 2 2 365.478 0.958 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875907 1190786525 /nfs/dbraw/zinc/78/65/25/1190786525.db2.gz ITPPJSOMCNCNIN-XYJFISCASA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875907 1190786528 /nfs/dbraw/zinc/78/65/28/1190786528.db2.gz ITPPJSOMCNCNIN-XYJFISCASA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875907 1190786534 /nfs/dbraw/zinc/78/65/34/1190786534.db2.gz ITPPJSOMCNCNIN-XYJFISCASA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001075875907 1190786538 /nfs/dbraw/zinc/78/65/38/1190786538.db2.gz ITPPJSOMCNCNIN-XYJFISCASA-N 2 2 360.506 0.826 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1)C1CC1 ZINC000986259264 1190935689 /nfs/dbraw/zinc/93/56/89/1190935689.db2.gz PAJYFQKXGKKZLT-RYRKJORJSA-N 2 2 359.474 0.530 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000986337396 1190952157 /nfs/dbraw/zinc/95/21/57/1190952157.db2.gz OZPKFFRDAMWFDC-CVEARBPZSA-N 2 2 357.458 0.286 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425771 1190987298 /nfs/dbraw/zinc/98/72/98/1190987298.db2.gz RZNWGDRQHLBIKY-CABCVRRESA-N 2 2 357.458 0.355 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1)[NH+](C)C ZINC000986437954 1190994438 /nfs/dbraw/zinc/99/44/38/1190994438.db2.gz PLCBDVRWALRCGY-IKGGRYGDSA-N 2 2 361.490 0.920 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1)[NH+](C)C ZINC000986465858 1190997138 /nfs/dbraw/zinc/99/71/38/1190997138.db2.gz NPUSBOFLHXVEDU-VYDXJSESSA-N 2 2 361.490 0.908 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)CC1 ZINC000986572813 1191040821 /nfs/dbraw/zinc/04/08/21/1191040821.db2.gz BFYXUANFFFTUBZ-CVEARBPZSA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1)C1CC1 ZINC000986571006 1191041261 /nfs/dbraw/zinc/04/12/61/1191041261.db2.gz FELVJOVTQQGTAY-RVKKMQEKSA-N 2 2 359.474 0.599 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986576755 1191044492 /nfs/dbraw/zinc/04/44/92/1191044492.db2.gz KDJLXWITXSIDGE-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986576755 1191044497 /nfs/dbraw/zinc/04/44/97/1191044497.db2.gz KDJLXWITXSIDGE-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@H]1CCCNC1=O ZINC001029970531 1191052079 /nfs/dbraw/zinc/05/20/79/1191052079.db2.gz FFSSCPRXHRIPBK-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@H]1CCCNC1=O ZINC001029970531 1191052082 /nfs/dbraw/zinc/05/20/82/1191052082.db2.gz FFSSCPRXHRIPBK-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@H]1CCCNC1=O ZINC001029970531 1191052084 /nfs/dbraw/zinc/05/20/84/1191052084.db2.gz FFSSCPRXHRIPBK-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@H]1CCCNC1=O ZINC001029970531 1191052086 /nfs/dbraw/zinc/05/20/86/1191052086.db2.gz FFSSCPRXHRIPBK-INMHGKMJSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986764519 1191094715 /nfs/dbraw/zinc/09/47/15/1191094715.db2.gz HFJMLIGNZUKJNT-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986764519 1191094718 /nfs/dbraw/zinc/09/47/18/1191094718.db2.gz HFJMLIGNZUKJNT-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](CC(=O)NC1CC1)CC2 ZINC001276762939 1224129654 /nfs/dbraw/zinc/12/96/54/1224129654.db2.gz NUNCMYJSMAYWDX-UHFFFAOYSA-N 2 2 359.474 0.903 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218195677 1224146518 /nfs/dbraw/zinc/14/65/18/1224146518.db2.gz INQIWLHPURDQCP-BPQIPLTHSA-N 2 2 362.474 0.782 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218195677 1224146519 /nfs/dbraw/zinc/14/65/19/1224146519.db2.gz INQIWLHPURDQCP-BPQIPLTHSA-N 2 2 362.474 0.782 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181625 1224145978 /nfs/dbraw/zinc/14/59/78/1224145978.db2.gz WHVRAADPMUYSMX-RYQLBKOJSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181625 1224145980 /nfs/dbraw/zinc/14/59/80/1224145980.db2.gz WHVRAADPMUYSMX-RYQLBKOJSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218188630 1224146414 /nfs/dbraw/zinc/14/64/14/1224146414.db2.gz SPDMJUMUYQFALD-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218188630 1224146416 /nfs/dbraw/zinc/14/64/16/1224146416.db2.gz SPDMJUMUYQFALD-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550664612 1193728717 /nfs/dbraw/zinc/72/87/17/1193728717.db2.gz VJYCDXCFWHPKJZ-QGZVFWFLSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523347 1224167205 /nfs/dbraw/zinc/16/72/05/1224167205.db2.gz LFRLGWBXJLZYNR-RCCFBDPRSA-N 2 2 369.506 0.432 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218523347 1224167208 /nfs/dbraw/zinc/16/72/08/1224167208.db2.gz LFRLGWBXJLZYNR-RCCFBDPRSA-N 2 2 369.506 0.432 20 0 FCADLP CC(C)OCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523347 1224167212 /nfs/dbraw/zinc/16/72/12/1224167212.db2.gz LFRLGWBXJLZYNR-RCCFBDPRSA-N 2 2 369.506 0.432 20 0 FCADLP CC(C)OCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218523347 1224167215 /nfs/dbraw/zinc/16/72/15/1224167215.db2.gz LFRLGWBXJLZYNR-RCCFBDPRSA-N 2 2 369.506 0.432 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465854 1193795391 /nfs/dbraw/zinc/79/53/91/1193795391.db2.gz VYXBWGUNRDGKEI-NXHRZFHOSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465854 1193795393 /nfs/dbraw/zinc/79/53/93/1193795393.db2.gz VYXBWGUNRDGKEI-NXHRZFHOSA-N 2 2 362.474 0.549 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000990114546 1193798005 /nfs/dbraw/zinc/79/80/05/1193798005.db2.gz BKJWSQMFFRBIET-FPCVCCKLSA-N 2 2 370.457 0.834 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000551046632 1193829720 /nfs/dbraw/zinc/82/97/20/1193829720.db2.gz IQWVCRCQQYXWAK-OAHLLOKOSA-N 2 2 357.458 0.808 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636927 1193843316 /nfs/dbraw/zinc/84/33/16/1193843316.db2.gz GVUSGBQEYMPTSD-PSBWJHGTSA-N 2 2 364.490 0.691 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636927 1193843317 /nfs/dbraw/zinc/84/33/17/1193843317.db2.gz GVUSGBQEYMPTSD-PSBWJHGTSA-N 2 2 364.490 0.691 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551279865 1193847839 /nfs/dbraw/zinc/84/78/39/1193847839.db2.gz KJFXODJVPYGXCR-AWEZNQCLSA-N 2 2 359.474 0.778 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000551279865 1193847840 /nfs/dbraw/zinc/84/78/40/1193847840.db2.gz KJFXODJVPYGXCR-AWEZNQCLSA-N 2 2 359.474 0.778 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000551294943 1193849585 /nfs/dbraw/zinc/84/95/85/1193849585.db2.gz UMCJWEXWBRMLLC-UHFFFAOYSA-N 2 2 371.485 0.935 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000551294943 1193849589 /nfs/dbraw/zinc/84/95/89/1193849589.db2.gz UMCJWEXWBRMLLC-UHFFFAOYSA-N 2 2 371.485 0.935 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551493426 1193860248 /nfs/dbraw/zinc/86/02/48/1193860248.db2.gz GHHNRWNAJUZFDM-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000551493426 1193860249 /nfs/dbraw/zinc/86/02/49/1193860249.db2.gz GHHNRWNAJUZFDM-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551493426 1193860250 /nfs/dbraw/zinc/86/02/50/1193860250.db2.gz GHHNRWNAJUZFDM-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551493426 1193860253 /nfs/dbraw/zinc/86/02/53/1193860253.db2.gz GHHNRWNAJUZFDM-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075961476 1193883859 /nfs/dbraw/zinc/88/38/59/1193883859.db2.gz PLZLNOHYDNEHRC-SOLBZPMBSA-N 2 2 354.458 0.912 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075961476 1193883860 /nfs/dbraw/zinc/88/38/60/1193883860.db2.gz PLZLNOHYDNEHRC-SOLBZPMBSA-N 2 2 354.458 0.912 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075975992 1193890113 /nfs/dbraw/zinc/89/01/13/1193890113.db2.gz CUWPAMULFFRNPK-DVOMOZLQSA-N 2 2 363.462 0.359 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075975992 1193890115 /nfs/dbraw/zinc/89/01/15/1193890115.db2.gz CUWPAMULFFRNPK-DVOMOZLQSA-N 2 2 363.462 0.359 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474507 1193906381 /nfs/dbraw/zinc/90/63/81/1193906381.db2.gz LAVVXVVRCXQASS-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474507 1193906387 /nfs/dbraw/zinc/90/63/87/1193906387.db2.gz LAVVXVVRCXQASS-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@@H]2O)CC[NH+]1C ZINC001083474507 1193906396 /nfs/dbraw/zinc/90/63/96/1193906396.db2.gz LAVVXVVRCXQASS-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@@H]2O)CC[NH+]1C ZINC001083474507 1193906397 /nfs/dbraw/zinc/90/63/97/1193906397.db2.gz LAVVXVVRCXQASS-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000553343939 1193990468 /nfs/dbraw/zinc/99/04/68/1193990468.db2.gz ZPRCXNHIPFJTCM-NVXWUHKLSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553343939 1193990472 /nfs/dbraw/zinc/99/04/72/1193990472.db2.gz ZPRCXNHIPFJTCM-NVXWUHKLSA-N 2 2 366.506 0.035 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000553355706 1193992372 /nfs/dbraw/zinc/99/23/72/1193992372.db2.gz JFKOVGJAGIZCMD-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000553355706 1193992374 /nfs/dbraw/zinc/99/23/74/1193992374.db2.gz JFKOVGJAGIZCMD-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000553355706 1193992376 /nfs/dbraw/zinc/99/23/76/1193992376.db2.gz JFKOVGJAGIZCMD-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000553355706 1193992379 /nfs/dbraw/zinc/99/23/79/1193992379.db2.gz JFKOVGJAGIZCMD-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000553401770 1193995935 /nfs/dbraw/zinc/99/59/35/1193995935.db2.gz YTMHVASXVZTXDC-QFUCXCTJSA-N 2 2 373.497 0.945 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000553401770 1193995942 /nfs/dbraw/zinc/99/59/42/1193995942.db2.gz YTMHVASXVZTXDC-QFUCXCTJSA-N 2 2 373.497 0.945 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105672889 1194077474 /nfs/dbraw/zinc/07/74/74/1194077474.db2.gz DNAULVNTJPMWSP-PSBWJHGTSA-N 2 2 364.490 0.886 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000842194580 1194087515 /nfs/dbraw/zinc/08/75/15/1194087515.db2.gz PDXBLUWIYYTBBO-SFHVURJKSA-N 2 2 373.501 0.691 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815309 1194107557 /nfs/dbraw/zinc/10/75/57/1194107557.db2.gz JGCOKGXAKGDGQV-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815309 1194107563 /nfs/dbraw/zinc/10/75/63/1194107563.db2.gz JGCOKGXAKGDGQV-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815309 1194107567 /nfs/dbraw/zinc/10/75/67/1194107567.db2.gz JGCOKGXAKGDGQV-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815309 1194107569 /nfs/dbraw/zinc/10/75/69/1194107569.db2.gz JGCOKGXAKGDGQV-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051328 1194268962 /nfs/dbraw/zinc/26/89/62/1194268962.db2.gz QUWVEFCCYREPEP-WMLDXEAASA-N 2 2 359.474 0.383 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051328 1194268966 /nfs/dbraw/zinc/26/89/66/1194268966.db2.gz QUWVEFCCYREPEP-WMLDXEAASA-N 2 2 359.474 0.383 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051449 1194269060 /nfs/dbraw/zinc/26/90/60/1194269060.db2.gz VMKBWZLVJFJNIZ-JKIFEVAISA-N 2 2 359.474 0.429 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051449 1194269067 /nfs/dbraw/zinc/26/90/67/1194269067.db2.gz VMKBWZLVJFJNIZ-JKIFEVAISA-N 2 2 359.474 0.429 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076045683 1194272058 /nfs/dbraw/zinc/27/20/58/1194272058.db2.gz LJMVYMJVXVJWQT-DLBZAZTESA-N 2 2 359.474 0.737 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076045683 1194272065 /nfs/dbraw/zinc/27/20/65/1194272065.db2.gz LJMVYMJVXVJWQT-DLBZAZTESA-N 2 2 359.474 0.737 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1 ZINC001218745008 1224210072 /nfs/dbraw/zinc/21/00/72/1224210072.db2.gz PVDNXTHBPWPMMA-AWEZNQCLSA-N 2 2 355.402 0.855 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303148 1194385617 /nfs/dbraw/zinc/38/56/17/1194385617.db2.gz LFSMCTVJXDIWAE-HLLBOEOZSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303148 1194385625 /nfs/dbraw/zinc/38/56/25/1194385625.db2.gz LFSMCTVJXDIWAE-HLLBOEOZSA-N 2 2 359.474 0.988 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406555 1194452412 /nfs/dbraw/zinc/45/24/12/1194452412.db2.gz QRLAGDDSAZVUAH-JKIFEVAISA-N 2 2 368.441 0.548 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406555 1194452418 /nfs/dbraw/zinc/45/24/18/1194452418.db2.gz QRLAGDDSAZVUAH-JKIFEVAISA-N 2 2 368.441 0.548 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)CC1 ZINC001076418711 1194465482 /nfs/dbraw/zinc/46/54/82/1194465482.db2.gz LHVDJZULJLMZSL-FUHWJXTLSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)CC1 ZINC001076418711 1194465488 /nfs/dbraw/zinc/46/54/88/1194465488.db2.gz LHVDJZULJLMZSL-FUHWJXTLSA-N 2 2 360.506 0.968 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076504857 1194529610 /nfs/dbraw/zinc/52/96/10/1194529610.db2.gz VPLIUSLOJMGVJP-SQWLQELKSA-N 2 2 355.446 0.572 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076504857 1194529611 /nfs/dbraw/zinc/52/96/11/1194529611.db2.gz VPLIUSLOJMGVJP-SQWLQELKSA-N 2 2 355.446 0.572 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001076576371 1194582371 /nfs/dbraw/zinc/58/23/71/1194582371.db2.gz IJTZCHRLEZJYFH-BPQIPLTHSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001076576371 1194582378 /nfs/dbraw/zinc/58/23/78/1194582378.db2.gz IJTZCHRLEZJYFH-BPQIPLTHSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001218802718 1224226982 /nfs/dbraw/zinc/22/69/82/1224226982.db2.gz CIAILPUJSOCHJS-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276795658 1224227232 /nfs/dbraw/zinc/22/72/32/1224227232.db2.gz NZEXRPOSQBNGBA-VQIMIIECSA-N 2 2 363.506 0.736 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218819890 1224231674 /nfs/dbraw/zinc/23/16/74/1224231674.db2.gz QNGNVBFRUMGCCV-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]21 ZINC001218819890 1224231678 /nfs/dbraw/zinc/23/16/78/1224231678.db2.gz QNGNVBFRUMGCCV-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218819460 1224232352 /nfs/dbraw/zinc/23/23/52/1224232352.db2.gz DZMSHKIDQKXEHK-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218819460 1224232360 /nfs/dbraw/zinc/23/23/60/1224232360.db2.gz DZMSHKIDQKXEHK-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)cc2)CC1 ZINC001218845847 1224239064 /nfs/dbraw/zinc/23/90/64/1224239064.db2.gz KORKGUBXOVPTSN-GOSISDBHSA-N 2 2 373.501 0.093 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218850806 1224240316 /nfs/dbraw/zinc/24/03/16/1224240316.db2.gz SCMTVRCANOIMMG-INIZCTEOSA-N 2 2 357.414 0.401 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904084 1224254059 /nfs/dbraw/zinc/25/40/59/1224254059.db2.gz ATHVBZOGQIKWBT-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904084 1224254070 /nfs/dbraw/zinc/25/40/70/1224254070.db2.gz ATHVBZOGQIKWBT-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904084 1224254077 /nfs/dbraw/zinc/25/40/77/1224254077.db2.gz ATHVBZOGQIKWBT-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904084 1224254083 /nfs/dbraw/zinc/25/40/83/1224254083.db2.gz ATHVBZOGQIKWBT-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805431 1195024771 /nfs/dbraw/zinc/02/47/71/1195024771.db2.gz HKEBRZIZENOOBG-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805431 1195024774 /nfs/dbraw/zinc/02/47/74/1195024774.db2.gz HKEBRZIZENOOBG-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805431 1195024780 /nfs/dbraw/zinc/02/47/80/1195024780.db2.gz HKEBRZIZENOOBG-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805431 1195024783 /nfs/dbraw/zinc/02/47/83/1195024783.db2.gz HKEBRZIZENOOBG-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001076805685 1195025485 /nfs/dbraw/zinc/02/54/85/1195025485.db2.gz QLICPROQQOJVGF-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805685 1195025488 /nfs/dbraw/zinc/02/54/88/1195025488.db2.gz QLICPROQQOJVGF-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805685 1195025494 /nfs/dbraw/zinc/02/54/94/1195025494.db2.gz QLICPROQQOJVGF-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805685 1195025500 /nfs/dbraw/zinc/02/55/00/1195025500.db2.gz QLICPROQQOJVGF-FGTMMUONSA-N 2 2 361.486 0.938 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812561 1195034647 /nfs/dbraw/zinc/03/46/47/1195034647.db2.gz LOTDSXQNJDCLIW-FGTMMUONSA-N 2 2 359.470 0.983 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812561 1195034652 /nfs/dbraw/zinc/03/46/52/1195034652.db2.gz LOTDSXQNJDCLIW-FGTMMUONSA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812561 1195034657 /nfs/dbraw/zinc/03/46/57/1195034657.db2.gz LOTDSXQNJDCLIW-FGTMMUONSA-N 2 2 359.470 0.983 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@H]1O ZINC001076812561 1195034663 /nfs/dbraw/zinc/03/46/63/1195034663.db2.gz LOTDSXQNJDCLIW-FGTMMUONSA-N 2 2 359.470 0.983 20 0 FCADLP COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076812941 1195035321 /nfs/dbraw/zinc/03/53/21/1195035321.db2.gz YMXXNUFGJYOBHR-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076812941 1195035326 /nfs/dbraw/zinc/03/53/26/1195035326.db2.gz YMXXNUFGJYOBHR-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001076812941 1195035329 /nfs/dbraw/zinc/03/53/29/1195035329.db2.gz YMXXNUFGJYOBHR-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001076812941 1195035333 /nfs/dbraw/zinc/03/53/33/1195035333.db2.gz YMXXNUFGJYOBHR-FGTMMUONSA-N 2 2 363.458 0.330 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837372 1195044688 /nfs/dbraw/zinc/04/46/88/1195044688.db2.gz YBZZROLWZNQUSV-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837372 1195044691 /nfs/dbraw/zinc/04/46/91/1195044691.db2.gz YBZZROLWZNQUSV-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837372 1195044693 /nfs/dbraw/zinc/04/46/93/1195044693.db2.gz YBZZROLWZNQUSV-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]2O)C1 ZINC001076837372 1195044696 /nfs/dbraw/zinc/04/46/96/1195044696.db2.gz YBZZROLWZNQUSV-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007282 1195140831 /nfs/dbraw/zinc/14/08/31/1195140831.db2.gz HBHLHIMNCBIMJM-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007282 1195140840 /nfs/dbraw/zinc/14/08/40/1195140840.db2.gz HBHLHIMNCBIMJM-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007281 1195141145 /nfs/dbraw/zinc/14/11/45/1195141145.db2.gz HBHLHIMNCBIMJM-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007281 1195141153 /nfs/dbraw/zinc/14/11/53/1195141153.db2.gz HBHLHIMNCBIMJM-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563412 1195222032 /nfs/dbraw/zinc/22/20/32/1195222032.db2.gz OFSSOMIIZQNLGU-ZACQAIPSSA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563412 1195222035 /nfs/dbraw/zinc/22/20/35/1195222035.db2.gz OFSSOMIIZQNLGU-ZACQAIPSSA-N 2 2 364.490 0.905 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077130542 1195245910 /nfs/dbraw/zinc/24/59/10/1195245910.db2.gz CPLKYVQXKDGSTD-IXDOHACOSA-N 2 2 355.442 0.825 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077130542 1195245912 /nfs/dbraw/zinc/24/59/12/1195245912.db2.gz CPLKYVQXKDGSTD-IXDOHACOSA-N 2 2 355.442 0.825 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131930 1195247537 /nfs/dbraw/zinc/24/75/37/1195247537.db2.gz MTEUIQPJYSEAFY-BRWVUGGUSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131930 1195247543 /nfs/dbraw/zinc/24/75/43/1195247543.db2.gz MTEUIQPJYSEAFY-BRWVUGGUSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131930 1195247548 /nfs/dbraw/zinc/24/75/48/1195247548.db2.gz MTEUIQPJYSEAFY-BRWVUGGUSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131930 1195247552 /nfs/dbraw/zinc/24/75/52/1195247552.db2.gz MTEUIQPJYSEAFY-BRWVUGGUSA-N 2 2 366.506 0.031 20 0 FCADLP CC[C@]1(c2ccc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)cc2)CCC(=O)NC1=O ZINC001218950490 1224270624 /nfs/dbraw/zinc/27/06/24/1224270624.db2.gz UJTDQEWHVCPDJG-IONDEXAJSA-N 2 2 370.453 0.931 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237855 1195339443 /nfs/dbraw/zinc/33/94/43/1195339443.db2.gz SDTASPWENMMIBF-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC001077237855 1195339448 /nfs/dbraw/zinc/33/94/48/1195339448.db2.gz SDTASPWENMMIBF-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001077237855 1195339454 /nfs/dbraw/zinc/33/94/54/1195339454.db2.gz SDTASPWENMMIBF-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233192 1195341549 /nfs/dbraw/zinc/34/15/49/1195341549.db2.gz NUDMWMDIMMECNY-DAXOMENPSA-N 2 2 367.413 0.117 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233192 1195341554 /nfs/dbraw/zinc/34/15/54/1195341554.db2.gz NUDMWMDIMMECNY-DAXOMENPSA-N 2 2 367.413 0.117 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077259062 1195362731 /nfs/dbraw/zinc/36/27/31/1195362731.db2.gz HFSNETHMBJYDBP-BRWVUGGUSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077259062 1195362737 /nfs/dbraw/zinc/36/27/37/1195362737.db2.gz HFSNETHMBJYDBP-BRWVUGGUSA-N 2 2 362.474 0.424 20 0 FCADLP COC(=O)C1(c2ccc(NC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)cc2)CC1 ZINC001218976226 1224276299 /nfs/dbraw/zinc/27/62/99/1224276299.db2.gz WQPYQFYHAOBWNF-INIZCTEOSA-N 2 2 360.458 0.580 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570613 1195374576 /nfs/dbraw/zinc/37/45/76/1195374576.db2.gz GIAUPFUSACHZDA-VUCTXSBTSA-N 2 2 371.441 0.254 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570613 1195374580 /nfs/dbraw/zinc/37/45/80/1195374580.db2.gz GIAUPFUSACHZDA-VUCTXSBTSA-N 2 2 371.441 0.254 20 0 FCADLP C[C@](O)(C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(F)F ZINC000905107801 1195575229 /nfs/dbraw/zinc/57/52/29/1195575229.db2.gz CCRLMEBJPUUGJY-DYVFJYSZSA-N 2 2 371.432 0.888 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)COc1ccccc1 ZINC000905447745 1195586593 /nfs/dbraw/zinc/58/65/93/1195586593.db2.gz ULBXSKNPPMWWQR-RBUKOAKNSA-N 2 2 363.502 0.813 20 0 FCADLP COCC[NH+]1CCC(NC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906416623 1195630758 /nfs/dbraw/zinc/63/07/58/1195630758.db2.gz PVLKBLLIFQHUQI-UHFFFAOYSA-N 2 2 364.490 0.661 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)c2cccn2CC[NH+]2CCOCC2)cn1 ZINC000906483084 1195634564 /nfs/dbraw/zinc/63/45/64/1195634564.db2.gz BDRAKNOFSVOBNO-UHFFFAOYSA-N 2 2 360.462 0.831 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1NC(=O)c1cnccn1 ZINC001219020554 1224295133 /nfs/dbraw/zinc/29/51/33/1224295133.db2.gz CYDGWXRXXQPXBA-GFCCVEGCSA-N 2 2 351.370 0.961 20 0 FCADLP COC1CC[NH+](CCNC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906930994 1195671646 /nfs/dbraw/zinc/67/16/46/1195671646.db2.gz TXMWIOVIIHQBCX-UHFFFAOYSA-N 2 2 364.490 0.661 20 0 FCADLP NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371615 1195740543 /nfs/dbraw/zinc/74/05/43/1195740543.db2.gz PKDQTMICIGUWAP-SFHVURJKSA-N 2 2 374.485 0.369 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911070046 1195886204 /nfs/dbraw/zinc/88/62/04/1195886204.db2.gz ZMQJYEBBGUIJEB-JKSUJKDBSA-N 2 2 357.458 0.366 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000911288940 1195933740 /nfs/dbraw/zinc/93/37/40/1195933740.db2.gz UOTLHWKEPCKGMW-MRXNPFEDSA-N 2 2 369.506 0.831 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000911369221 1195949647 /nfs/dbraw/zinc/94/96/47/1195949647.db2.gz XQLACSKWCOCSCQ-NVXWUHKLSA-N 2 2 355.442 0.938 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052077 1224319813 /nfs/dbraw/zinc/31/98/13/1224319813.db2.gz DAHZWNBFYGZZPB-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052077 1224319818 /nfs/dbraw/zinc/31/98/18/1224319818.db2.gz DAHZWNBFYGZZPB-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052077 1224319822 /nfs/dbraw/zinc/31/98/22/1224319822.db2.gz DAHZWNBFYGZZPB-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052077 1224319830 /nfs/dbraw/zinc/31/98/30/1224319830.db2.gz DAHZWNBFYGZZPB-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052111 1224322422 /nfs/dbraw/zinc/32/24/22/1224322422.db2.gz GBRUFORTLXWDNV-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052111 1224322428 /nfs/dbraw/zinc/32/24/28/1224322428.db2.gz GBRUFORTLXWDNV-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052111 1224322435 /nfs/dbraw/zinc/32/24/35/1224322435.db2.gz GBRUFORTLXWDNV-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052111 1224322441 /nfs/dbraw/zinc/32/24/41/1224322441.db2.gz GBRUFORTLXWDNV-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000912723465 1196361095 /nfs/dbraw/zinc/36/10/95/1196361095.db2.gz HITPTLKHVSHGMQ-HXUWFJFHSA-N 2 2 373.545 0.412 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000912723465 1196361101 /nfs/dbraw/zinc/36/11/01/1196361101.db2.gz HITPTLKHVSHGMQ-HXUWFJFHSA-N 2 2 373.545 0.412 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668363 1196391380 /nfs/dbraw/zinc/39/13/80/1196391380.db2.gz NWFIKIAXCSQBOT-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668363 1196391386 /nfs/dbraw/zinc/39/13/86/1196391386.db2.gz NWFIKIAXCSQBOT-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3CC[NH+](C)C)C2)cn1 ZINC001077444429 1196417372 /nfs/dbraw/zinc/41/73/72/1196417372.db2.gz YAGXWLTYCRNDNQ-RTBURBONSA-N 2 2 371.485 0.499 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3CC[NH+](C)C)C2)cn1 ZINC001077444429 1196417382 /nfs/dbraw/zinc/41/73/82/1196417382.db2.gz YAGXWLTYCRNDNQ-RTBURBONSA-N 2 2 371.485 0.499 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088859837 1196805582 /nfs/dbraw/zinc/80/55/82/1196805582.db2.gz NZSPPVAOTCQCTH-UXLLHSPISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001088859837 1196805583 /nfs/dbraw/zinc/80/55/83/1196805583.db2.gz NZSPPVAOTCQCTH-UXLLHSPISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001088859837 1196805585 /nfs/dbraw/zinc/80/55/85/1196805585.db2.gz NZSPPVAOTCQCTH-UXLLHSPISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088984751 1196856871 /nfs/dbraw/zinc/85/68/71/1196856871.db2.gz RVZWHZFMLLCSJX-ZBFHGGJFSA-N 2 2 359.474 0.963 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088984751 1196856872 /nfs/dbraw/zinc/85/68/72/1196856872.db2.gz RVZWHZFMLLCSJX-ZBFHGGJFSA-N 2 2 359.474 0.963 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC000992237847 1197028846 /nfs/dbraw/zinc/02/88/46/1197028846.db2.gz AZSJJWBXMYSLDB-LFEHRJTNSA-N 2 2 369.473 0.929 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992237847 1197028849 /nfs/dbraw/zinc/02/88/49/1197028849.db2.gz AZSJJWBXMYSLDB-LFEHRJTNSA-N 2 2 369.473 0.929 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2 ZINC000992237845 1197029044 /nfs/dbraw/zinc/02/90/44/1197029044.db2.gz AZSJJWBXMYSLDB-IIHSZXCVSA-N 2 2 369.473 0.929 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992237845 1197029048 /nfs/dbraw/zinc/02/90/48/1197029048.db2.gz AZSJJWBXMYSLDB-IIHSZXCVSA-N 2 2 369.473 0.929 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC[N@@H+]1C ZINC000992406560 1197091462 /nfs/dbraw/zinc/09/14/62/1197091462.db2.gz KGNVOFWFRIXYEY-RRQGHBQHSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)CC[N@H+]1C ZINC000992406560 1197091464 /nfs/dbraw/zinc/09/14/64/1197091464.db2.gz KGNVOFWFRIXYEY-RRQGHBQHSA-N 2 2 359.474 0.503 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236491 1224396844 /nfs/dbraw/zinc/39/68/44/1224396844.db2.gz VGASJMFBWHAIIG-YJBOKZPZSA-N 3 2 360.506 0.303 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@]3(C)C2)C1 ZINC000992940013 1197619645 /nfs/dbraw/zinc/61/96/45/1197619645.db2.gz JCIIEPMOYRUOEV-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@]3(C)C2)C1 ZINC000992940013 1197619655 /nfs/dbraw/zinc/61/96/55/1197619655.db2.gz JCIIEPMOYRUOEV-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000992940013 1197619670 /nfs/dbraw/zinc/61/96/70/1197619670.db2.gz JCIIEPMOYRUOEV-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000992940013 1197619675 /nfs/dbraw/zinc/61/96/75/1197619675.db2.gz JCIIEPMOYRUOEV-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1)C1CC1 ZINC000993023043 1197686065 /nfs/dbraw/zinc/68/60/65/1197686065.db2.gz DQECQVDYVZLARW-AYBZRNKSSA-N 2 2 359.474 0.530 20 0 FCADLP CC1(C)NC(=O)Nc2ccc(NC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)cc21 ZINC001219338287 1224432180 /nfs/dbraw/zinc/43/21/80/1224432180.db2.gz IPMFDRDJXUORLA-AWEZNQCLSA-N 2 2 360.462 0.746 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242097 1197738639 /nfs/dbraw/zinc/73/86/39/1197738639.db2.gz BRPYACRVPIVEPJ-KLHDSHLOSA-N 2 2 364.494 0.534 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242097 1197738646 /nfs/dbraw/zinc/73/86/46/1197738646.db2.gz BRPYACRVPIVEPJ-KLHDSHLOSA-N 2 2 364.494 0.534 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001085242194 1197739334 /nfs/dbraw/zinc/73/93/34/1197739334.db2.gz HHHLUIPVSAJPGW-BZUAXINKSA-N 2 2 360.458 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106224307 1197750926 /nfs/dbraw/zinc/75/09/26/1197750926.db2.gz VLSVFBLNXASKJD-ZIAGYGMSSA-N 2 2 371.445 0.455 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1cnccn1 ZINC001106224307 1197750942 /nfs/dbraw/zinc/75/09/42/1197750942.db2.gz VLSVFBLNXASKJD-ZIAGYGMSSA-N 2 2 371.445 0.455 20 0 FCADLP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C[NH+](C)C)on2)C1=O ZINC001085252696 1197751227 /nfs/dbraw/zinc/75/12/27/1197751227.db2.gz CDVBBFFPHWPEDI-RBSFLKMASA-N 2 2 363.462 0.598 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993095788 1197820670 /nfs/dbraw/zinc/82/06/70/1197820670.db2.gz BFLZDNTZVUSYFC-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993095788 1197820680 /nfs/dbraw/zinc/82/06/80/1197820680.db2.gz BFLZDNTZVUSYFC-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000993137973 1197860256 /nfs/dbraw/zinc/86/02/56/1197860256.db2.gz YCCWNDSCNUNBRV-APWZRJJASA-N 2 2 370.457 0.704 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106308963 1197861296 /nfs/dbraw/zinc/86/12/96/1197861296.db2.gz JJIPKHMOXZWXGE-UKRRQHHQSA-N 2 2 360.458 0.595 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106342986 1197871823 /nfs/dbraw/zinc/87/18/23/1197871823.db2.gz LNDSRVQLEAJFQN-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343142 1197872108 /nfs/dbraw/zinc/87/21/08/1197872108.db2.gz QXCUBNGFDGPAFV-OWCLPIDISA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343141 1197872223 /nfs/dbraw/zinc/87/22/23/1197872223.db2.gz QXCUBNGFDGPAFV-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC000993151719 1197890380 /nfs/dbraw/zinc/89/03/80/1197890380.db2.gz POJSLHYDFFJWDR-BEFAXECRSA-N 2 2 371.485 0.888 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)C1 ZINC001085429179 1197895578 /nfs/dbraw/zinc/89/55/78/1197895578.db2.gz IZFPTQYPKSYSEB-BZUAXINKSA-N 2 2 366.462 0.921 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(OC)no2)C1 ZINC001085429179 1197895579 /nfs/dbraw/zinc/89/55/79/1197895579.db2.gz IZFPTQYPKSYSEB-BZUAXINKSA-N 2 2 366.462 0.921 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085429289 1197895745 /nfs/dbraw/zinc/89/57/45/1197895745.db2.gz MWNWNLCCYLXWKJ-OAGGEKHMSA-N 2 2 364.494 0.536 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085429289 1197895751 /nfs/dbraw/zinc/89/57/51/1197895751.db2.gz MWNWNLCCYLXWKJ-OAGGEKHMSA-N 2 2 364.494 0.536 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000993160859 1197912406 /nfs/dbraw/zinc/91/24/06/1197912406.db2.gz WCKWUFXBEQOBKC-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000993160859 1197912411 /nfs/dbraw/zinc/91/24/11/1197912411.db2.gz WCKWUFXBEQOBKC-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993175152 1197933729 /nfs/dbraw/zinc/93/37/29/1197933729.db2.gz LAQXYQNNEZRLJP-JTDSTZFVSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993175152 1197933737 /nfs/dbraw/zinc/93/37/37/1197933737.db2.gz LAQXYQNNEZRLJP-JTDSTZFVSA-N 2 2 359.474 0.532 20 0 FCADLP CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106464192 1197945230 /nfs/dbraw/zinc/94/52/30/1197945230.db2.gz LEKKWNSBHSKHKJ-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)C1CC1 ZINC001106499080 1197976702 /nfs/dbraw/zinc/97/67/02/1197976702.db2.gz YTHGIURJRKXYEN-HLLBOEOZSA-N 2 2 361.490 0.872 20 0 FCADLP CCn1cc(CC[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001085670968 1197977517 /nfs/dbraw/zinc/97/75/17/1197977517.db2.gz JRYWVTBZSZCACR-BPQIPLTHSA-N 2 2 363.506 0.697 20 0 FCADLP CCn1cc(CC[N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001085670968 1197977527 /nfs/dbraw/zinc/97/75/27/1197977527.db2.gz JRYWVTBZSZCACR-BPQIPLTHSA-N 2 2 363.506 0.697 20 0 FCADLP CCn1cc(CC[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001085670968 1197977537 /nfs/dbraw/zinc/97/75/37/1197977537.db2.gz JRYWVTBZSZCACR-BPQIPLTHSA-N 2 2 363.506 0.697 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498508 1197977943 /nfs/dbraw/zinc/97/79/43/1197977943.db2.gz AAMRSYKAGUCWFT-KURKYZTESA-N 2 2 366.506 0.991 20 0 FCADLP CCCN1C(=O)C(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110157 1197990534 /nfs/dbraw/zinc/99/05/34/1197990534.db2.gz CCNNCAFPCYIRQH-UHFFFAOYSA-N 2 2 366.462 0.579 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129321745 1197992974 /nfs/dbraw/zinc/99/29/74/1197992974.db2.gz OSXLPAYSKBWJDV-CVEARBPZSA-N 2 2 361.450 0.251 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000738206728 1197997080 /nfs/dbraw/zinc/99/70/80/1197997080.db2.gz BELMXUOMMHBGAM-UHFFFAOYSA-N 2 2 366.462 0.720 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1)C(N)=O ZINC001086368450 1198329874 /nfs/dbraw/zinc/32/98/74/1198329874.db2.gz GJTLDUYVJWLDNU-YIDVYQOGSA-N 2 2 359.474 0.512 20 0 FCADLP O=C(NC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392280 1198345357 /nfs/dbraw/zinc/34/53/57/1198345357.db2.gz FZQBKPXJBJILGT-RFBLXINOSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(NC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392280 1198345366 /nfs/dbraw/zinc/34/53/66/1198345366.db2.gz FZQBKPXJBJILGT-RFBLXINOSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392487 1198347595 /nfs/dbraw/zinc/34/75/95/1198347595.db2.gz QFQODRSFPBXAAQ-BTFPBAQTSA-N 2 2 355.446 0.777 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392487 1198347605 /nfs/dbraw/zinc/34/76/05/1198347605.db2.gz QFQODRSFPBXAAQ-BTFPBAQTSA-N 2 2 355.446 0.777 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@@]1(C)COCC[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504667 1224491246 /nfs/dbraw/zinc/49/12/46/1224491246.db2.gz WASCSTWCWJQHAQ-QZTJIDSGSA-N 2 2 360.414 0.195 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219552655 1224505985 /nfs/dbraw/zinc/50/59/85/1224505985.db2.gz GABIDWJKISZTLL-XHSDSOJGSA-N 2 2 366.462 0.089 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219552655 1224505990 /nfs/dbraw/zinc/50/59/90/1224505990.db2.gz GABIDWJKISZTLL-XHSDSOJGSA-N 2 2 366.462 0.089 20 0 FCADLP CC[C@@H]1C(=O)Nc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2N1C(C)C ZINC001169071771 1199045174 /nfs/dbraw/zinc/04/51/74/1199045174.db2.gz KJGKNXZDBUGZEA-BXUZGUMPSA-N 2 2 359.434 0.470 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001169123358 1199045595 /nfs/dbraw/zinc/04/55/95/1199045595.db2.gz KAAVMSQVMQYJJM-IVSAIRAKSA-N 2 2 360.458 0.120 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C2 ZINC001169123358 1199045601 /nfs/dbraw/zinc/04/56/01/1199045601.db2.gz KAAVMSQVMQYJJM-IVSAIRAKSA-N 2 2 360.458 0.120 20 0 FCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCn1cc[nH+]c1 ZINC001169160517 1199049708 /nfs/dbraw/zinc/04/97/08/1199049708.db2.gz HGYPFPHJJWSKQJ-CQSZACIVSA-N 2 2 373.461 0.479 20 0 FCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cc[nH+]c1CC[NH3+] ZINC001169167480 1199051393 /nfs/dbraw/zinc/05/13/93/1199051393.db2.gz HMPDPKPJPDDARP-ZDUSSCGKSA-N 2 2 373.461 0.563 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001219649730 1224544542 /nfs/dbraw/zinc/54/45/42/1224544542.db2.gz JRHPNJFNYUTENX-VQHPVUNQSA-N 2 2 362.474 0.352 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001219649730 1224544547 /nfs/dbraw/zinc/54/45/47/1224544547.db2.gz JRHPNJFNYUTENX-VQHPVUNQSA-N 2 2 362.474 0.352 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665592 1224549785 /nfs/dbraw/zinc/54/97/85/1224549785.db2.gz PVYAAWMGNTUPJR-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665592 1224549789 /nfs/dbraw/zinc/54/97/89/1224549789.db2.gz PVYAAWMGNTUPJR-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665592 1224549792 /nfs/dbraw/zinc/54/97/92/1224549792.db2.gz PVYAAWMGNTUPJR-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665592 1224549795 /nfs/dbraw/zinc/54/97/95/1224549795.db2.gz PVYAAWMGNTUPJR-IKGGRYGDSA-N 2 2 365.478 0.378 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC001219694796 1224564150 /nfs/dbraw/zinc/56/41/50/1224564150.db2.gz MZQWQWLXSGYKCB-CVEARBPZSA-N 2 2 363.458 0.648 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC001219694796 1224564154 /nfs/dbraw/zinc/56/41/54/1224564154.db2.gz MZQWQWLXSGYKCB-CVEARBPZSA-N 2 2 363.458 0.648 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731627 1224583558 /nfs/dbraw/zinc/58/35/58/1224583558.db2.gz FDEKNPXGUSVYFE-OIISXLGYSA-N 2 2 370.469 0.887 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219731627 1224583567 /nfs/dbraw/zinc/58/35/67/1224583567.db2.gz FDEKNPXGUSVYFE-OIISXLGYSA-N 2 2 370.469 0.887 20 0 FCADLP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1=O ZINC001109222106 1200118373 /nfs/dbraw/zinc/11/83/73/1200118373.db2.gz IBARMVDNXWXNMO-PMPSAXMXSA-N 2 2 355.442 0.963 20 0 FCADLP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1=O ZINC001109222106 1200118377 /nfs/dbraw/zinc/11/83/77/1200118377.db2.gz IBARMVDNXWXNMO-PMPSAXMXSA-N 2 2 355.442 0.963 20 0 FCADLP Cc1ccc2c(c1)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)CC21CC[NH2+]CC1 ZINC001219754702 1224596739 /nfs/dbraw/zinc/59/67/39/1224596739.db2.gz XOGXGHSSIHSIRQ-KRWDZBQOSA-N 2 2 356.470 0.609 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402171 1200249447 /nfs/dbraw/zinc/24/94/47/1200249447.db2.gz KGCQOUSTKSSGLK-CVYDXHPNSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402171 1200249453 /nfs/dbraw/zinc/24/94/53/1200249453.db2.gz KGCQOUSTKSSGLK-CVYDXHPNSA-N 2 2 366.506 0.201 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001109410620 1200251886 /nfs/dbraw/zinc/25/18/86/1200251886.db2.gz MHTOPJMYUCQPCZ-IKGGRYGDSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001109410620 1200251894 /nfs/dbraw/zinc/25/18/94/1200251894.db2.gz MHTOPJMYUCQPCZ-IKGGRYGDSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001109410620 1200251900 /nfs/dbraw/zinc/25/19/00/1200251900.db2.gz MHTOPJMYUCQPCZ-IKGGRYGDSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1)C1CCC1 ZINC001109410620 1200251907 /nfs/dbraw/zinc/25/19/07/1200251907.db2.gz MHTOPJMYUCQPCZ-IKGGRYGDSA-N 2 2 364.490 0.051 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406216 1200252930 /nfs/dbraw/zinc/25/29/30/1200252930.db2.gz RYPUKOIQUUWMAE-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406216 1200252937 /nfs/dbraw/zinc/25/29/37/1200252937.db2.gz RYPUKOIQUUWMAE-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109406216 1200252943 /nfs/dbraw/zinc/25/29/43/1200252943.db2.gz RYPUKOIQUUWMAE-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109406216 1200252950 /nfs/dbraw/zinc/25/29/50/1200252950.db2.gz RYPUKOIQUUWMAE-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464021 1200303405 /nfs/dbraw/zinc/30/34/05/1200303405.db2.gz HZZIFMNUOSBUQI-YVSFHVDLSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464021 1200303409 /nfs/dbraw/zinc/30/34/09/1200303409.db2.gz HZZIFMNUOSBUQI-YVSFHVDLSA-N 2 2 362.474 0.830 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466269 1200305084 /nfs/dbraw/zinc/30/50/84/1200305084.db2.gz SIDCLCDIOOWKON-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466269 1200305092 /nfs/dbraw/zinc/30/50/92/1200305092.db2.gz SIDCLCDIOOWKON-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109466269 1200305101 /nfs/dbraw/zinc/30/51/01/1200305101.db2.gz SIDCLCDIOOWKON-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109466269 1200305107 /nfs/dbraw/zinc/30/51/07/1200305107.db2.gz SIDCLCDIOOWKON-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525907 1200362930 /nfs/dbraw/zinc/36/29/30/1200362930.db2.gz NQYBRMWKISIOKG-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525907 1200362940 /nfs/dbraw/zinc/36/29/40/1200362940.db2.gz NQYBRMWKISIOKG-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638781 1200428986 /nfs/dbraw/zinc/42/89/86/1200428986.db2.gz HCATWYRXXMKCRD-LTIDMASMSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109638781 1200428988 /nfs/dbraw/zinc/42/89/88/1200428988.db2.gz HCATWYRXXMKCRD-LTIDMASMSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109638781 1200428992 /nfs/dbraw/zinc/42/89/92/1200428992.db2.gz HCATWYRXXMKCRD-LTIDMASMSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109638781 1200428995 /nfs/dbraw/zinc/42/89/95/1200428995.db2.gz HCATWYRXXMKCRD-LTIDMASMSA-N 2 2 366.506 0.343 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)NCC[C@H]1C[NH2+]Cc3cccn3C1)C[NH2+]C2 ZINC001219787645 1224613274 /nfs/dbraw/zinc/61/32/74/1224613274.db2.gz IREOSBHWVLIJFN-ZFWWWQNUSA-N 2 2 357.462 0.212 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719001 1200485300 /nfs/dbraw/zinc/48/53/00/1200485300.db2.gz QQFXGFPPQSMZGN-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719001 1200485304 /nfs/dbraw/zinc/48/53/04/1200485304.db2.gz QQFXGFPPQSMZGN-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109719001 1200485309 /nfs/dbraw/zinc/48/53/09/1200485309.db2.gz QQFXGFPPQSMZGN-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109719001 1200485311 /nfs/dbraw/zinc/48/53/11/1200485311.db2.gz QQFXGFPPQSMZGN-NCOADZHNSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109731732 1200493440 /nfs/dbraw/zinc/49/34/40/1200493440.db2.gz KLHWQMPYMIJRSL-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001109731732 1200493442 /nfs/dbraw/zinc/49/34/42/1200493442.db2.gz KLHWQMPYMIJRSL-QZWWFDLISA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001109772988 1200515393 /nfs/dbraw/zinc/51/53/93/1200515393.db2.gz AUZDDHVXWVLWPG-FZKCQIBNSA-N 2 2 373.457 0.705 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001109772988 1200515399 /nfs/dbraw/zinc/51/53/99/1200515399.db2.gz AUZDDHVXWVLWPG-FZKCQIBNSA-N 2 2 373.457 0.705 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864781 1200574899 /nfs/dbraw/zinc/57/48/99/1200574899.db2.gz UJMRKLUZPHKGOP-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864781 1200574906 /nfs/dbraw/zinc/57/49/06/1200574906.db2.gz UJMRKLUZPHKGOP-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O ZINC001219799874 1224619674 /nfs/dbraw/zinc/61/96/74/1224619674.db2.gz AJCKXTXHQNZBNP-SQNIBIBYSA-N 2 2 361.490 0.475 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O ZINC001219799874 1224619678 /nfs/dbraw/zinc/61/96/78/1224619678.db2.gz AJCKXTXHQNZBNP-SQNIBIBYSA-N 2 2 361.490 0.475 20 0 FCADLP [NH3+]Cc1ccc2nnn(-c3ccc(OCC[NH+]4CCOCC4)nc3)c2c1 ZINC001170026971 1200585201 /nfs/dbraw/zinc/58/52/01/1200585201.db2.gz TZSQCKFQSAGCHR-UHFFFAOYSA-N 2 2 354.414 0.985 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109980634 1200664791 /nfs/dbraw/zinc/66/47/91/1200664791.db2.gz UMUCQVHLOHYDLI-PMPSAXMXSA-N 2 2 368.522 0.448 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109980634 1200664830 /nfs/dbraw/zinc/66/48/30/1200664830.db2.gz UMUCQVHLOHYDLI-PMPSAXMXSA-N 2 2 368.522 0.448 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2)N1CCCC1 ZINC001112551897 1200772607 /nfs/dbraw/zinc/77/26/07/1200772607.db2.gz VRDXRRPVYROKQJ-KXBFYZLASA-N 2 2 359.474 0.793 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815843 1224631145 /nfs/dbraw/zinc/63/11/45/1224631145.db2.gz NCLZAXBVSXEUPK-XKQJLSEDSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815843 1224631149 /nfs/dbraw/zinc/63/11/49/1224631149.db2.gz NCLZAXBVSXEUPK-XKQJLSEDSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815843 1224631153 /nfs/dbraw/zinc/63/11/53/1224631153.db2.gz NCLZAXBVSXEUPK-XKQJLSEDSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815843 1224631159 /nfs/dbraw/zinc/63/11/59/1224631159.db2.gz NCLZAXBVSXEUPK-XKQJLSEDSA-N 2 2 368.522 0.325 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)c1cccnc1 ZINC001112586670 1200822413 /nfs/dbraw/zinc/82/24/13/1200822413.db2.gz KPPOQKXMMQDBCR-IEZWGBDMSA-N 2 2 359.474 0.388 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590186 1200828917 /nfs/dbraw/zinc/82/89/17/1200828917.db2.gz IHVINNDJLSZQRX-LPHOPBHVSA-N 2 2 361.490 0.970 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001112590066 1200829053 /nfs/dbraw/zinc/82/90/53/1200829053.db2.gz AXTJBQTVMRXGMI-BXWFABGCSA-N 2 2 359.474 0.770 20 0 FCADLP CN1CCC2(CC[NH+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1=O ZINC000790389084 1201071936 /nfs/dbraw/zinc/07/19/36/1201071936.db2.gz PSKPYGHLVFPHKD-LJQANCHMSA-N 2 2 362.474 0.805 20 0 FCADLP O=C1O[C@]2(CN1CN1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371622 1201074708 /nfs/dbraw/zinc/07/47/08/1201074708.db2.gz TVLYEZHNJCZSLN-MJGOQNOKSA-N 2 2 364.490 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)c[nH+]1 ZINC001219864313 1224660332 /nfs/dbraw/zinc/66/03/32/1224660332.db2.gz NDUHCRKXYCVJRV-SJORKVTESA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)c[nH+]1 ZINC001219864313 1224660334 /nfs/dbraw/zinc/66/03/34/1224660334.db2.gz NDUHCRKXYCVJRV-SJORKVTESA-N 2 2 364.490 0.905 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000793700031 1201259166 /nfs/dbraw/zinc/25/91/66/1201259166.db2.gz OBYDHXWAHWVAQF-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O)[NH+](C)C ZINC001219869476 1224663380 /nfs/dbraw/zinc/66/33/80/1224663380.db2.gz NGTCNZLMOUPYQW-ZACQAIPSSA-N 2 2 362.474 0.048 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O)[NH+](C)C ZINC001219869476 1224663385 /nfs/dbraw/zinc/66/33/85/1224663385.db2.gz NGTCNZLMOUPYQW-ZACQAIPSSA-N 2 2 362.474 0.048 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129406844 1201297024 /nfs/dbraw/zinc/29/70/24/1201297024.db2.gz APZWILFAJAKGOH-CVEARBPZSA-N 2 2 361.450 0.320 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129406844 1201297027 /nfs/dbraw/zinc/29/70/27/1201297027.db2.gz APZWILFAJAKGOH-CVEARBPZSA-N 2 2 361.450 0.320 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129411659 1201298164 /nfs/dbraw/zinc/29/81/64/1201298164.db2.gz AYAHPLGFVUTNEO-IMJJTQAJSA-N 2 2 361.450 0.021 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129411659 1201298169 /nfs/dbraw/zinc/29/81/69/1201298169.db2.gz AYAHPLGFVUTNEO-IMJJTQAJSA-N 2 2 361.450 0.021 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129404234 1201307892 /nfs/dbraw/zinc/30/78/92/1201307892.db2.gz OCCSRNXBHQMQDF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129404234 1201307897 /nfs/dbraw/zinc/30/78/97/1201307897.db2.gz OCCSRNXBHQMQDF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129404234 1201307902 /nfs/dbraw/zinc/30/79/02/1201307902.db2.gz OCCSRNXBHQMQDF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129404234 1201307907 /nfs/dbraw/zinc/30/79/07/1201307907.db2.gz OCCSRNXBHQMQDF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461686 1201326656 /nfs/dbraw/zinc/32/66/56/1201326656.db2.gz YYMHNOKQXXZMOA-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461686 1201326658 /nfs/dbraw/zinc/32/66/58/1201326658.db2.gz YYMHNOKQXXZMOA-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461686 1201326660 /nfs/dbraw/zinc/32/66/60/1201326660.db2.gz YYMHNOKQXXZMOA-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461686 1201326665 /nfs/dbraw/zinc/32/66/65/1201326665.db2.gz YYMHNOKQXXZMOA-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129461303 1201326923 /nfs/dbraw/zinc/32/69/23/1201326923.db2.gz VGIFKJMNMHDQBQ-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129461303 1201326932 /nfs/dbraw/zinc/32/69/32/1201326932.db2.gz VGIFKJMNMHDQBQ-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129461303 1201326938 /nfs/dbraw/zinc/32/69/38/1201326938.db2.gz VGIFKJMNMHDQBQ-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129461303 1201326951 /nfs/dbraw/zinc/32/69/51/1201326951.db2.gz VGIFKJMNMHDQBQ-SJORKVTESA-N 2 2 357.462 0.555 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623630 1201349130 /nfs/dbraw/zinc/34/91/30/1201349130.db2.gz ODHUIILGXHSKRZ-ZWKOTPCHSA-N 2 2 358.486 0.755 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623630 1201349134 /nfs/dbraw/zinc/34/91/34/1201349134.db2.gz ODHUIILGXHSKRZ-ZWKOTPCHSA-N 2 2 358.486 0.755 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COCc1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892795 1201416799 /nfs/dbraw/zinc/41/67/99/1201416799.db2.gz BIUJWWOKMXGTEE-GVDBMIGSSA-N 2 2 358.442 0.797 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COCc1ccccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892795 1201416803 /nfs/dbraw/zinc/41/68/03/1201416803.db2.gz BIUJWWOKMXGTEE-GVDBMIGSSA-N 2 2 358.442 0.797 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910536 1201423317 /nfs/dbraw/zinc/42/33/17/1201423317.db2.gz XNMASYNWCSWECZ-JLZZUVOBSA-N 2 2 369.429 0.845 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)cc1 ZINC001219901792 1224674884 /nfs/dbraw/zinc/67/48/84/1224674884.db2.gz QRMLBERECARUKT-KHYOSLBOSA-N 2 2 354.410 0.883 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)c(C)o1 ZINC001129992129 1201470291 /nfs/dbraw/zinc/47/02/91/1201470291.db2.gz MDUFUFOOJFVPAO-CVEARBPZSA-N 2 2 361.450 0.376 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022480 1201474343 /nfs/dbraw/zinc/47/43/43/1201474343.db2.gz BOKNVLCXKZPIAQ-XHSDSOJGSA-N 2 2 361.450 0.504 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130057226 1201484538 /nfs/dbraw/zinc/48/45/38/1201484538.db2.gz PDOQIUAXCPJOIP-CABCVRRESA-N 2 2 359.434 0.012 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2n2ccnn2)co1 ZINC001130137373 1201515105 /nfs/dbraw/zinc/51/51/05/1201515105.db2.gz WCWOYCICDUNPIW-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2n2ccnn2)co1 ZINC001130137373 1201515108 /nfs/dbraw/zinc/51/51/08/1201515108.db2.gz WCWOYCICDUNPIW-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)C1CC1 ZINC001130220596 1201547504 /nfs/dbraw/zinc/54/75/04/1201547504.db2.gz FYHZKKJTNFVJSB-YDHLFZDLSA-N 2 2 368.457 0.193 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220058016 1224740399 /nfs/dbraw/zinc/74/03/99/1224740399.db2.gz PQFGUBJJBOLAMW-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220058016 1224740402 /nfs/dbraw/zinc/74/04/02/1224740402.db2.gz PQFGUBJJBOLAMW-CVEARBPZSA-N 2 2 368.522 0.138 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130575902 1202721513 /nfs/dbraw/zinc/72/15/13/1202721513.db2.gz ACINREPICQFGIG-GOEBONIOSA-N 2 2 360.462 0.697 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2[NH2+]CCCO)c1 ZINC001130616758 1202736982 /nfs/dbraw/zinc/73/69/82/1202736982.db2.gz ABYUQKBAKUNZPS-KBXCAEBGSA-N 2 2 368.441 0.877 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809129 1202802437 /nfs/dbraw/zinc/80/24/37/1202802437.db2.gz IHZUGJDQJKKOEP-QLFBSQMISA-N 2 2 364.494 0.982 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809129 1202802439 /nfs/dbraw/zinc/80/24/39/1202802439.db2.gz IHZUGJDQJKKOEP-QLFBSQMISA-N 2 2 364.494 0.982 20 0 FCADLP CC(C)[C@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)[NH+](C)C ZINC001130809306 1202802481 /nfs/dbraw/zinc/80/24/81/1202802481.db2.gz QMUDIUXYQNWEMH-GZBFAFLISA-N 2 2 370.473 0.786 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C)OC ZINC001131130708 1202869261 /nfs/dbraw/zinc/86/92/61/1202869261.db2.gz ZMZYBEPAZIIQPT-ARFHVFGLSA-N 2 2 360.462 0.626 20 0 FCADLP Cc1cc(C)n(-c2ccc(CNC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC001220082456 1224751101 /nfs/dbraw/zinc/75/11/01/1224751101.db2.gz ZFAVTCIUCNQCHO-LJQANCHMSA-N 2 2 370.501 0.856 20 0 FCADLP Cc1ncccc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610839 1202921205 /nfs/dbraw/zinc/92/12/05/1202921205.db2.gz KMCOZPAHYJSODR-MSOLQXFVSA-N 2 2 362.474 0.476 20 0 FCADLP CON(C)C(=O)C1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000812292308 1202979762 /nfs/dbraw/zinc/97/97/62/1202979762.db2.gz KGQXOPWKMKAJSK-GOSISDBHSA-N 2 2 366.462 0.592 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001110103467 1203003491 /nfs/dbraw/zinc/00/34/91/1203003491.db2.gz WDWZXVGLNRUVIT-IKGGRYGDSA-N 2 2 359.474 0.829 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001110103467 1203003495 /nfs/dbraw/zinc/00/34/95/1203003495.db2.gz WDWZXVGLNRUVIT-IKGGRYGDSA-N 2 2 359.474 0.829 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001134049589 1203011571 /nfs/dbraw/zinc/01/15/71/1203011571.db2.gz JYYADEYWYOSJQR-ZIAGYGMSSA-N 2 2 353.430 0.711 20 0 FCADLP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC001134049327 1203011685 /nfs/dbraw/zinc/01/16/85/1203011685.db2.gz BXCWOSPYMHDVFE-HZPDHXFCSA-N 2 2 355.442 0.892 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001086735592 1203061904 /nfs/dbraw/zinc/06/19/04/1203061904.db2.gz DVOIMRRZIHWTKU-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737750 1203062697 /nfs/dbraw/zinc/06/26/97/1203062697.db2.gz WCNRJFKDTJPLEL-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001086737301 1203063195 /nfs/dbraw/zinc/06/31/95/1203063195.db2.gz FFLSIGXOQLZAMH-HRCADAONSA-N 2 2 357.462 0.612 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001086737311 1203063301 /nfs/dbraw/zinc/06/33/01/1203063301.db2.gz FLIBPFYKEMGTNX-HRCADAONSA-N 2 2 357.462 0.612 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086738958 1203064652 /nfs/dbraw/zinc/06/46/52/1203064652.db2.gz AOQPMQJVZZMMJW-QWHCGFSZSA-N 2 2 361.450 0.553 20 0 FCADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170843079 1203079381 /nfs/dbraw/zinc/07/93/81/1203079381.db2.gz ZGJRHDDHYBGUGZ-BZUAXINKSA-N 2 2 361.490 0.904 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)o1 ZINC001086785020 1203092703 /nfs/dbraw/zinc/09/27/03/1203092703.db2.gz GIRFAXJQTGONAC-ARFHVFGLSA-N 2 2 365.478 0.862 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)o1 ZINC001086785020 1203092704 /nfs/dbraw/zinc/09/27/04/1203092704.db2.gz GIRFAXJQTGONAC-ARFHVFGLSA-N 2 2 365.478 0.862 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@@H](C(=O)OC)OC3=O)CC2)CC1 ZINC000817373463 1203102300 /nfs/dbraw/zinc/10/23/00/1203102300.db2.gz QNKYAJFHOUGSAS-INIZCTEOSA-N 2 2 368.478 0.430 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@@H](C(=O)OC)OC3=O)CC2)CC1 ZINC000817373463 1203102302 /nfs/dbraw/zinc/10/23/02/1203102302.db2.gz QNKYAJFHOUGSAS-INIZCTEOSA-N 2 2 368.478 0.430 20 0 FCADLP Cc1ccc(OCC[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220105893 1224765846 /nfs/dbraw/zinc/76/58/46/1224765846.db2.gz QFPUTVURTYSSRB-MSOLQXFVSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001220105893 1224765855 /nfs/dbraw/zinc/76/58/55/1224765855.db2.gz QFPUTVURTYSSRB-MSOLQXFVSA-N 2 2 358.442 0.822 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@@H](c2ccccc2)C1 ZINC000817918516 1203126107 /nfs/dbraw/zinc/12/61/07/1203126107.db2.gz KLHBQIHGWDVLOU-YLJYHZDGSA-N 2 2 356.470 0.856 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[C@@H](c2ccccc2)C1 ZINC000817918516 1203126110 /nfs/dbraw/zinc/12/61/10/1203126110.db2.gz KLHBQIHGWDVLOU-YLJYHZDGSA-N 2 2 356.470 0.856 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110104023 1203209804 /nfs/dbraw/zinc/20/98/04/1203209804.db2.gz BNXOKIFTOLMKEJ-VZEFYGNVSA-N 2 2 359.474 0.828 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110104023 1203209811 /nfs/dbraw/zinc/20/98/11/1203209811.db2.gz BNXOKIFTOLMKEJ-VZEFYGNVSA-N 2 2 359.474 0.828 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000823097349 1203247760 /nfs/dbraw/zinc/24/77/60/1203247760.db2.gz UFMJGZLCUAQMDE-TWGQIWQCSA-N 2 2 374.485 0.660 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000823097349 1203247761 /nfs/dbraw/zinc/24/77/61/1203247761.db2.gz UFMJGZLCUAQMDE-TWGQIWQCSA-N 2 2 374.485 0.660 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001090809437 1203307085 /nfs/dbraw/zinc/30/70/85/1203307085.db2.gz GNLXAHOONRFIJI-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001090809437 1203307088 /nfs/dbraw/zinc/30/70/88/1203307088.db2.gz GNLXAHOONRFIJI-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP O=C([C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663810 1203319270 /nfs/dbraw/zinc/31/92/70/1203319270.db2.gz ICFBGXHJZSYRCS-PMACEKPBSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663810 1203319271 /nfs/dbraw/zinc/31/92/71/1203319271.db2.gz ICFBGXHJZSYRCS-PMACEKPBSA-N 2 2 373.497 0.945 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCF)cc1 ZINC001090867773 1203320288 /nfs/dbraw/zinc/32/02/88/1203320288.db2.gz XXFKEYXBYUUCDT-KSZLIROESA-N 2 2 365.449 0.879 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCF)cc1 ZINC001090867773 1203320291 /nfs/dbraw/zinc/32/02/91/1203320291.db2.gz XXFKEYXBYUUCDT-KSZLIROESA-N 2 2 365.449 0.879 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220273769 1224818800 /nfs/dbraw/zinc/81/88/00/1224818800.db2.gz RUTVCSMUGCLEAG-MSOLQXFVSA-N 2 2 358.442 0.955 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1O ZINC001220273769 1224818803 /nfs/dbraw/zinc/81/88/03/1224818803.db2.gz RUTVCSMUGCLEAG-MSOLQXFVSA-N 2 2 358.442 0.955 20 0 FCADLP CN(CC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1)C(N)=[NH2+] ZINC001144130310 1204425691 /nfs/dbraw/zinc/42/56/91/1204425691.db2.gz KCUBCUWSOBLJNS-CYBMUJFWSA-N 2 2 357.418 0.141 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001091037688 1204456369 /nfs/dbraw/zinc/45/63/69/1204456369.db2.gz UPUVCFPWTROAMX-XSCHDIRWSA-N 2 2 363.510 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001091037688 1204456376 /nfs/dbraw/zinc/45/63/76/1204456376.db2.gz UPUVCFPWTROAMX-XSCHDIRWSA-N 2 2 363.510 0.753 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001091097316 1204514698 /nfs/dbraw/zinc/51/46/98/1204514698.db2.gz OLQOJZSLBQAKMM-BNQIPGGESA-N 2 2 362.478 0.386 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001091097316 1204514704 /nfs/dbraw/zinc/51/47/04/1204514704.db2.gz OLQOJZSLBQAKMM-BNQIPGGESA-N 2 2 362.478 0.386 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342780 1224834172 /nfs/dbraw/zinc/83/41/72/1224834172.db2.gz MWKFYCVABANXMP-IKGGRYGDSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342780 1224834178 /nfs/dbraw/zinc/83/41/78/1224834178.db2.gz MWKFYCVABANXMP-IKGGRYGDSA-N 2 2 364.490 0.872 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905268 1204674009 /nfs/dbraw/zinc/67/40/09/1204674009.db2.gz ZRYAQNWTKCOULY-IRXDYDNUSA-N 2 2 370.538 0.926 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905268 1204674011 /nfs/dbraw/zinc/67/40/11/1204674011.db2.gz ZRYAQNWTKCOULY-IRXDYDNUSA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905268 1204674014 /nfs/dbraw/zinc/67/40/14/1204674014.db2.gz ZRYAQNWTKCOULY-IRXDYDNUSA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905268 1204674016 /nfs/dbraw/zinc/67/40/16/1204674016.db2.gz ZRYAQNWTKCOULY-IRXDYDNUSA-N 2 2 370.538 0.926 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H](O)C2)on1 ZINC001220377879 1224848942 /nfs/dbraw/zinc/84/89/42/1224848942.db2.gz RRUVAZDMZJDNEE-UAGQMJEPSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H](O)C2)on1 ZINC001220377879 1224848945 /nfs/dbraw/zinc/84/89/45/1224848945.db2.gz RRUVAZDMZJDNEE-UAGQMJEPSA-N 2 2 366.462 0.145 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CC1 ZINC001091633086 1204785585 /nfs/dbraw/zinc/78/55/85/1204785585.db2.gz SYJGCBDJRIUOGN-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CC1 ZINC001091633086 1204785594 /nfs/dbraw/zinc/78/55/94/1204785594.db2.gz SYJGCBDJRIUOGN-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220386165 1224852324 /nfs/dbraw/zinc/85/23/24/1224852324.db2.gz ZNNVUIOEFZMAMA-NXHRZFHOSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O)[NH+]1CCCC1 ZINC001220386165 1224852326 /nfs/dbraw/zinc/85/23/26/1224852326.db2.gz ZNNVUIOEFZMAMA-NXHRZFHOSA-N 2 2 362.474 0.244 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738382 1204837884 /nfs/dbraw/zinc/83/78/84/1204837884.db2.gz WCSBYMPEBQQYQM-ALKREAHSSA-N 2 2 369.473 0.870 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738382 1204837885 /nfs/dbraw/zinc/83/78/85/1204837885.db2.gz WCSBYMPEBQQYQM-ALKREAHSSA-N 2 2 369.473 0.870 20 0 FCADLP C[NH+](C)CCN1CCC2(CCN(C(=O)Cc3cc[nH+]c(N)c3)CC2)C1=O ZINC001273448789 1204847872 /nfs/dbraw/zinc/84/78/72/1204847872.db2.gz BTGXPYWQFHNOOK-UHFFFAOYSA-N 2 2 359.474 0.609 20 0 FCADLP CNC(=O)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001086928842 1204861909 /nfs/dbraw/zinc/86/19/09/1204861909.db2.gz PTVAXBDCCMXJJX-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001086928842 1204861910 /nfs/dbraw/zinc/86/19/10/1204861910.db2.gz PTVAXBDCCMXJJX-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]Cc2ccns2)cn1 ZINC001087003986 1204891644 /nfs/dbraw/zinc/89/16/44/1204891644.db2.gz ZIZNMARMLGQZDC-LSDHHAIUSA-N 2 2 371.470 0.927 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087034651 1204924185 /nfs/dbraw/zinc/92/41/85/1204924185.db2.gz PPPSDURNLXQIHF-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087034651 1204924189 /nfs/dbraw/zinc/92/41/89/1204924189.db2.gz PPPSDURNLXQIHF-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087049775 1204926940 /nfs/dbraw/zinc/92/69/40/1204926940.db2.gz YWYCJOVNGGNJPB-UKRRQHHQSA-N 2 2 361.450 0.124 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087070700 1204957637 /nfs/dbraw/zinc/95/76/37/1204957637.db2.gz DUUXBODOTDCHJQ-NVXWUHKLSA-N 2 2 360.462 0.660 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087088254 1204976375 /nfs/dbraw/zinc/97/63/75/1204976375.db2.gz PVTGBVLEVWFDQE-NVXWUHKLSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)c1nc(C)no1 ZINC001087103841 1205001883 /nfs/dbraw/zinc/00/18/83/1205001883.db2.gz DGRQSGXPZWEJBS-NWANDNLSSA-N 2 2 362.434 0.789 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087097125 1205005735 /nfs/dbraw/zinc/00/57/35/1205005735.db2.gz XQYRZQGPPNGZNV-RHSMWYFYSA-N 2 2 360.462 0.349 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091800957 1205018621 /nfs/dbraw/zinc/01/86/21/1205018621.db2.gz VTJSYOIMGXLKMT-SXGZJXTBSA-N 2 2 371.485 0.504 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091800957 1205018626 /nfs/dbraw/zinc/01/86/26/1205018626.db2.gz VTJSYOIMGXLKMT-SXGZJXTBSA-N 2 2 371.485 0.504 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@@]3(C)C2)c[nH+]1 ZINC001091780040 1205026359 /nfs/dbraw/zinc/02/63/59/1205026359.db2.gz ULZSPYHFRBYRTR-BEFAXECRSA-N 2 2 361.490 0.795 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)c[nH+]1 ZINC001091780040 1205026365 /nfs/dbraw/zinc/02/63/65/1205026365.db2.gz ULZSPYHFRBYRTR-BEFAXECRSA-N 2 2 361.490 0.795 20 0 FCADLP C[C@]12CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001091845392 1205035513 /nfs/dbraw/zinc/03/55/13/1205035513.db2.gz XCMQVNXCFHZYAP-ACJLOTCBSA-N 2 2 354.414 0.147 20 0 FCADLP C[C@]12CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001091845392 1205035517 /nfs/dbraw/zinc/03/55/17/1205035517.db2.gz XCMQVNXCFHZYAP-ACJLOTCBSA-N 2 2 354.414 0.147 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857394 1205052377 /nfs/dbraw/zinc/05/23/77/1205052377.db2.gz GEEPJXYSXNNJHF-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857394 1205052381 /nfs/dbraw/zinc/05/23/81/1205052381.db2.gz GEEPJXYSXNNJHF-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1 ZINC001091857638 1205053266 /nfs/dbraw/zinc/05/32/66/1205053266.db2.gz PRHLAJLGQAKJKB-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)n1 ZINC001091857638 1205053272 /nfs/dbraw/zinc/05/32/72/1205053272.db2.gz PRHLAJLGQAKJKB-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP CCCn1c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc(=O)n(CCC)c1=O ZINC001220424663 1224867410 /nfs/dbraw/zinc/86/74/10/1224867410.db2.gz OVYMHQZXWRUVND-ZDUSSCGKSA-N 2 2 362.434 0.072 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897833 1205076690 /nfs/dbraw/zinc/07/66/90/1205076690.db2.gz IPUVBSLPMGMSGR-QAPCUYQASA-N 2 2 357.462 0.865 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897833 1205076694 /nfs/dbraw/zinc/07/66/94/1205076694.db2.gz IPUVBSLPMGMSGR-QAPCUYQASA-N 2 2 357.462 0.865 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)n1 ZINC001092053124 1205125863 /nfs/dbraw/zinc/12/58/63/1205125863.db2.gz ZPWYSWZOZYUWRP-ACJLOTCBSA-N 2 2 356.430 0.731 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)n1 ZINC001092053124 1205125866 /nfs/dbraw/zinc/12/58/66/1205125866.db2.gz ZPWYSWZOZYUWRP-ACJLOTCBSA-N 2 2 356.430 0.731 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)no1 ZINC001092101552 1205157615 /nfs/dbraw/zinc/15/76/15/1205157615.db2.gz JFCPJGLPXNWIFL-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)no1 ZINC001092101552 1205157622 /nfs/dbraw/zinc/15/76/22/1205157622.db2.gz JFCPJGLPXNWIFL-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1)C1CC1 ZINC001092199655 1205195967 /nfs/dbraw/zinc/19/59/67/1205195967.db2.gz MKWSITGAUWTGRR-KUHUBIRLSA-N 2 2 359.474 0.364 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1)C1CC1 ZINC001092199655 1205195984 /nfs/dbraw/zinc/19/59/84/1205195984.db2.gz MKWSITGAUWTGRR-KUHUBIRLSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242603 1205210377 /nfs/dbraw/zinc/21/03/77/1205210377.db2.gz SHHLNSVCERXHRG-KHYOSLBOSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242603 1205210382 /nfs/dbraw/zinc/21/03/82/1205210382.db2.gz SHHLNSVCERXHRG-KHYOSLBOSA-N 2 2 361.490 0.610 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272604 1205219975 /nfs/dbraw/zinc/21/99/75/1205219975.db2.gz HCFDADTYAREHNQ-LBTNJELSSA-N 2 2 361.446 0.345 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272604 1205219977 /nfs/dbraw/zinc/21/99/77/1205219977.db2.gz HCFDADTYAREHNQ-LBTNJELSSA-N 2 2 361.446 0.345 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272604 1205219981 /nfs/dbraw/zinc/21/99/81/1205219981.db2.gz HCFDADTYAREHNQ-LBTNJELSSA-N 2 2 361.446 0.345 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272604 1205219987 /nfs/dbraw/zinc/21/99/87/1205219987.db2.gz HCFDADTYAREHNQ-LBTNJELSSA-N 2 2 361.446 0.345 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1C ZINC001092273776 1205221553 /nfs/dbraw/zinc/22/15/53/1205221553.db2.gz RIYCWUDPPANSIT-CLCXKQKWSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1C ZINC001092273776 1205221555 /nfs/dbraw/zinc/22/15/55/1205221555.db2.gz RIYCWUDPPANSIT-CLCXKQKWSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1C ZINC001092273776 1205221559 /nfs/dbraw/zinc/22/15/59/1205221559.db2.gz RIYCWUDPPANSIT-CLCXKQKWSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1C ZINC001092273776 1205221561 /nfs/dbraw/zinc/22/15/61/1205221561.db2.gz RIYCWUDPPANSIT-CLCXKQKWSA-N 2 2 360.506 0.610 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275824 1205222243 /nfs/dbraw/zinc/22/22/43/1205222243.db2.gz RPSZBDQMJFSNGQ-QAPCUYQASA-N 2 2 361.494 0.630 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275824 1205222248 /nfs/dbraw/zinc/22/22/48/1205222248.db2.gz RPSZBDQMJFSNGQ-QAPCUYQASA-N 2 2 361.494 0.630 20 0 FCADLP COc1ccccc1C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001220445742 1224875020 /nfs/dbraw/zinc/87/50/20/1224875020.db2.gz SCFIJIGCBJNIKR-FOIQADDNSA-N 2 2 359.470 0.811 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301481 1205234600 /nfs/dbraw/zinc/23/46/00/1205234600.db2.gz KDFNERLEPDAXHH-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301481 1205234604 /nfs/dbraw/zinc/23/46/04/1205234604.db2.gz KDFNERLEPDAXHH-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301481 1205234608 /nfs/dbraw/zinc/23/46/08/1205234608.db2.gz KDFNERLEPDAXHH-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001092301481 1205234612 /nfs/dbraw/zinc/23/46/12/1205234612.db2.gz KDFNERLEPDAXHH-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092319251 1205247740 /nfs/dbraw/zinc/24/77/40/1205247740.db2.gz MWIGZDZYVMHJIL-VKJFTORMSA-N 2 2 355.446 0.442 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001092319251 1205247747 /nfs/dbraw/zinc/24/77/47/1205247747.db2.gz MWIGZDZYVMHJIL-VKJFTORMSA-N 2 2 355.446 0.442 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC3(C[NH+](CCCF)C3)n3ccnc32)O1 ZINC001092374813 1205277008 /nfs/dbraw/zinc/27/70/08/1205277008.db2.gz GHWSEMJVTQSOBZ-QLFBSQMISA-N 2 2 365.453 0.534 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC3(C[NH+](CCCF)C3)n3ccnc32)O1 ZINC001092374813 1205277012 /nfs/dbraw/zinc/27/70/12/1205277012.db2.gz GHWSEMJVTQSOBZ-QLFBSQMISA-N 2 2 365.453 0.534 20 0 FCADLP CC(C)n1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522032 1205302129 /nfs/dbraw/zinc/30/21/29/1205302129.db2.gz JFFLXDCNCFQPOO-INMHGKMJSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522032 1205302131 /nfs/dbraw/zinc/30/21/31/1205302131.db2.gz JFFLXDCNCFQPOO-INMHGKMJSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522032 1205302134 /nfs/dbraw/zinc/30/21/34/1205302134.db2.gz JFFLXDCNCFQPOO-INMHGKMJSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)n1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)nn1 ZINC001092522032 1205302139 /nfs/dbraw/zinc/30/21/39/1205302139.db2.gz JFFLXDCNCFQPOO-INMHGKMJSA-N 2 2 364.494 0.374 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220482252 1224887420 /nfs/dbraw/zinc/88/74/20/1224887420.db2.gz JJIPGJGZVYNSKY-CVEARBPZSA-N 2 2 360.462 0.455 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220482252 1224887424 /nfs/dbraw/zinc/88/74/24/1224887424.db2.gz JJIPGJGZVYNSKY-CVEARBPZSA-N 2 2 360.462 0.455 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909297 1205939872 /nfs/dbraw/zinc/93/98/72/1205939872.db2.gz GJSIHTKPHXJVBY-BRWVUGGUSA-N 2 2 363.506 0.713 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909297 1205939877 /nfs/dbraw/zinc/93/98/77/1205939877.db2.gz GJSIHTKPHXJVBY-BRWVUGGUSA-N 2 2 363.506 0.713 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909297 1205939881 /nfs/dbraw/zinc/93/98/81/1205939881.db2.gz GJSIHTKPHXJVBY-BRWVUGGUSA-N 2 2 363.506 0.713 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nccn3C)C[C@H]2C)C1 ZINC001092909297 1205939886 /nfs/dbraw/zinc/93/98/86/1205939886.db2.gz GJSIHTKPHXJVBY-BRWVUGGUSA-N 2 2 363.506 0.713 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911794 1205940510 /nfs/dbraw/zinc/94/05/10/1205940510.db2.gz YTUHOXUEFJFRAX-FRFSOERESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911794 1205940512 /nfs/dbraw/zinc/94/05/12/1205940512.db2.gz YTUHOXUEFJFRAX-FRFSOERESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911794 1205940514 /nfs/dbraw/zinc/94/05/14/1205940514.db2.gz YTUHOXUEFJFRAX-FRFSOERESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911794 1205940516 /nfs/dbraw/zinc/94/05/16/1205940516.db2.gz YTUHOXUEFJFRAX-FRFSOERESA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918876 1205943941 /nfs/dbraw/zinc/94/39/41/1205943941.db2.gz QCWSYLGSDODIKN-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918876 1205943945 /nfs/dbraw/zinc/94/39/45/1205943945.db2.gz QCWSYLGSDODIKN-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001220545938 1224918678 /nfs/dbraw/zinc/91/86/78/1224918678.db2.gz VXVYCBOBYKPAMT-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001220545938 1224918684 /nfs/dbraw/zinc/91/86/84/1224918684.db2.gz VXVYCBOBYKPAMT-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001093020954 1205983886 /nfs/dbraw/zinc/98/38/86/1205983886.db2.gz FAYADBSBPMWGQJ-OJLVUWQFSA-N 2 2 369.473 0.929 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220547792 1224920281 /nfs/dbraw/zinc/92/02/81/1224920281.db2.gz HTJKAQJTRMCXBQ-SJORKVTESA-N 2 2 360.462 0.375 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220547792 1224920288 /nfs/dbraw/zinc/92/02/88/1224920288.db2.gz HTJKAQJTRMCXBQ-SJORKVTESA-N 2 2 360.462 0.375 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001093102656 1206017668 /nfs/dbraw/zinc/01/76/68/1206017668.db2.gz KGNYLQWEOSSQPL-CKEIUWERSA-N 2 2 368.441 0.454 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001093102656 1206017673 /nfs/dbraw/zinc/01/76/73/1206017673.db2.gz KGNYLQWEOSSQPL-CKEIUWERSA-N 2 2 368.441 0.454 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1F ZINC001220553210 1224924487 /nfs/dbraw/zinc/92/44/87/1224924487.db2.gz CJFGNQYFHPZJKB-MSOLQXFVSA-N 2 2 365.449 0.518 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1F ZINC001220553210 1224924493 /nfs/dbraw/zinc/92/44/93/1224924493.db2.gz CJFGNQYFHPZJKB-MSOLQXFVSA-N 2 2 365.449 0.518 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208730 1206056516 /nfs/dbraw/zinc/05/65/16/1206056516.db2.gz CYSVDTACKAUJHM-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208730 1206056518 /nfs/dbraw/zinc/05/65/18/1206056518.db2.gz CYSVDTACKAUJHM-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208730 1206056523 /nfs/dbraw/zinc/05/65/23/1206056523.db2.gz CYSVDTACKAUJHM-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208730 1206056525 /nfs/dbraw/zinc/05/65/25/1206056525.db2.gz CYSVDTACKAUJHM-INMHGKMJSA-N 2 2 364.494 0.203 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001093690932 1206101019 /nfs/dbraw/zinc/10/10/19/1206101019.db2.gz JCJKIOWZSXGJGW-RBSFLKMASA-N 2 2 364.494 0.443 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001093690932 1206101023 /nfs/dbraw/zinc/10/10/23/1206101023.db2.gz JCJKIOWZSXGJGW-RBSFLKMASA-N 2 2 364.494 0.443 20 0 FCADLP CC(C)n1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691334 1206101447 /nfs/dbraw/zinc/10/14/47/1206101447.db2.gz RUDVCWWIURRGTO-NUJGCVRESA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691334 1206101450 /nfs/dbraw/zinc/10/14/50/1206101450.db2.gz RUDVCWWIURRGTO-NUJGCVRESA-N 2 2 363.506 0.979 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001093744468 1206115052 /nfs/dbraw/zinc/11/50/52/1206115052.db2.gz WUFKAHVBIHRYOE-RBSFLKMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093871916 1206138769 /nfs/dbraw/zinc/13/87/69/1206138769.db2.gz ZRVVBCUQJIVYIO-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C)[nH]1 ZINC001093872984 1206138926 /nfs/dbraw/zinc/13/89/26/1206138926.db2.gz DPNPDPNRQYEXIY-VHDGCEQUSA-N 2 2 357.462 0.756 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C)n1 ZINC001093873559 1206139162 /nfs/dbraw/zinc/13/91/62/1206139162.db2.gz PGQQWKBMFAVYJY-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093914557 1206148331 /nfs/dbraw/zinc/14/83/31/1206148331.db2.gz ZHEIYUMBMLADDE-ZIAGYGMSSA-N 2 2 353.430 0.961 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)n1C ZINC001093950505 1206157155 /nfs/dbraw/zinc/15/71/55/1206157155.db2.gz ZFESKQSSNBCOHF-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001093934430 1206161572 /nfs/dbraw/zinc/16/15/72/1206161572.db2.gz PUBGQEXTZCRVGA-BZUAXINKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093934568 1206161799 /nfs/dbraw/zinc/16/17/99/1206161799.db2.gz XHMSHNHFDSKPQB-OAGGEKHMSA-N 2 2 371.489 0.816 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094033778 1206172804 /nfs/dbraw/zinc/17/28/04/1206172804.db2.gz ATXPWKZLMCPQNL-UMVBOHGHSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094055604 1206177443 /nfs/dbraw/zinc/17/74/43/1206177443.db2.gz YZFFSNHUTPBBQF-RRCSTGOVSA-N 2 2 357.462 0.536 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nnnn1C(C)(C)C ZINC001094075030 1206179707 /nfs/dbraw/zinc/17/97/07/1206179707.db2.gz WFDAGKPRBXZXEQ-CHWSQXEVSA-N 2 2 360.466 0.578 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nnc(C2CC2)n1C ZINC001094166291 1206197862 /nfs/dbraw/zinc/19/78/62/1206197862.db2.gz UJCMBUREAQJQFE-UKRRQHHQSA-N 2 2 371.489 0.853 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001094165896 1206197877 /nfs/dbraw/zinc/19/78/77/1206197877.db2.gz DMSYJLHKGKRYJF-UKRRQHHQSA-N 2 2 359.478 0.767 20 0 FCADLP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC001094189971 1206205063 /nfs/dbraw/zinc/20/50/63/1206205063.db2.gz VLRSXHWGHJGOML-TZMCWYRMSA-N 2 2 358.446 0.944 20 0 FCADLP Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4CCC[NH+]4C)CCC[C@@H]23)nc1=O ZINC001094379947 1206221708 /nfs/dbraw/zinc/22/17/08/1206221708.db2.gz HKFQHTBRWMQLDU-HBUWYVDXSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)[C@H]4CCC[NH+]4C)CCC[C@@H]23)nc1=O ZINC001094379947 1206221710 /nfs/dbraw/zinc/22/17/10/1206221710.db2.gz HKFQHTBRWMQLDU-HBUWYVDXSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4CCC[N@@H+]4C)CCC[C@@H]23)nc1=O ZINC001094379947 1206221714 /nfs/dbraw/zinc/22/17/14/1206221714.db2.gz HKFQHTBRWMQLDU-HBUWYVDXSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4CCC[N@H+]4C)CCC[C@@H]23)nc1=O ZINC001094379947 1206221715 /nfs/dbraw/zinc/22/17/15/1206221715.db2.gz HKFQHTBRWMQLDU-HBUWYVDXSA-N 2 2 362.478 0.063 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@]13CCC[C@H]1[N@H+](CC(N)=O)CC3)C2 ZINC001094450736 1206227817 /nfs/dbraw/zinc/22/78/17/1206227817.db2.gz HQFJIUOMGLFEJS-VVFCZOMOSA-N 2 2 359.474 0.669 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@]13CCC[C@H]1[N@@H+](CC(N)=O)CC3)C2 ZINC001094450736 1206227819 /nfs/dbraw/zinc/22/78/19/1206227819.db2.gz HQFJIUOMGLFEJS-VVFCZOMOSA-N 2 2 359.474 0.669 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCCNc2ncnc3c2C[NH+](C)CC3)O1 ZINC001094868142 1206256922 /nfs/dbraw/zinc/25/69/22/1206256922.db2.gz GWXMUANKPZFSEE-CZUORRHYSA-N 2 2 362.478 0.102 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCCNc2ncnc3c2C[NH+](C)CC3)O1 ZINC001094868142 1206256927 /nfs/dbraw/zinc/25/69/27/1206256927.db2.gz GWXMUANKPZFSEE-CZUORRHYSA-N 2 2 362.478 0.102 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCCNc2ncnc3c2C[N@H+](C)CC3)O1 ZINC001094868142 1206256933 /nfs/dbraw/zinc/25/69/33/1206256933.db2.gz GWXMUANKPZFSEE-CZUORRHYSA-N 2 2 362.478 0.102 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCCNc2ncnc3c2C[N@@H+](C)CC3)O1 ZINC001094868142 1206256939 /nfs/dbraw/zinc/25/69/39/1206256939.db2.gz GWXMUANKPZFSEE-CZUORRHYSA-N 2 2 362.478 0.102 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2CCCC2=O)C1 ZINC001095268107 1206290815 /nfs/dbraw/zinc/29/08/15/1206290815.db2.gz RELLTWVYXKBTRN-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2CCCC2=O)C1 ZINC001095268107 1206290819 /nfs/dbraw/zinc/29/08/19/1206290819.db2.gz RELLTWVYXKBTRN-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2CCCC2=O)C1 ZINC001095268107 1206290823 /nfs/dbraw/zinc/29/08/23/1206290823.db2.gz RELLTWVYXKBTRN-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2CCCC2=O)C1 ZINC001095268107 1206290827 /nfs/dbraw/zinc/29/08/27/1206290827.db2.gz RELLTWVYXKBTRN-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)cn1 ZINC001095268209 1206291085 /nfs/dbraw/zinc/29/10/85/1206291085.db2.gz VVHGTBWOXKOGLO-OWSLCNJRSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)cn1 ZINC001095268209 1206291087 /nfs/dbraw/zinc/29/10/87/1206291087.db2.gz VVHGTBWOXKOGLO-OWSLCNJRSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)cn1 ZINC001095268209 1206291090 /nfs/dbraw/zinc/29/10/90/1206291090.db2.gz VVHGTBWOXKOGLO-OWSLCNJRSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)cn1 ZINC001095268209 1206291093 /nfs/dbraw/zinc/29/10/93/1206291093.db2.gz VVHGTBWOXKOGLO-OWSLCNJRSA-N 2 2 361.490 0.498 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110190693 1206308525 /nfs/dbraw/zinc/30/85/25/1206308525.db2.gz KKQQYTRPICCYAI-PMPSAXMXSA-N 2 2 373.457 0.534 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110190693 1206308527 /nfs/dbraw/zinc/30/85/27/1206308527.db2.gz KKQQYTRPICCYAI-PMPSAXMXSA-N 2 2 373.457 0.534 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088676 1206329396 /nfs/dbraw/zinc/32/93/96/1206329396.db2.gz PGTPAJVDQDOVPR-GFCCVEGCSA-N 3 2 367.454 0.306 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088676 1206329399 /nfs/dbraw/zinc/32/93/99/1206329399.db2.gz PGTPAJVDQDOVPR-GFCCVEGCSA-N 3 2 367.454 0.306 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)O1 ZINC001178838151 1206366587 /nfs/dbraw/zinc/36/65/87/1206366587.db2.gz YIQKSESLFJCOBV-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)O1 ZINC001178838151 1206366589 /nfs/dbraw/zinc/36/65/89/1206366589.db2.gz YIQKSESLFJCOBV-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](C)[NH+]1CCCC1 ZINC001180579877 1206396138 /nfs/dbraw/zinc/39/61/38/1206396138.db2.gz PMRWLBIVNNXDHE-BXWFABGCSA-N 2 2 367.490 0.726 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)C1 ZINC001180757827 1206398345 /nfs/dbraw/zinc/39/83/45/1206398345.db2.gz HWFLWYNPGWBAFA-INIZCTEOSA-N 2 2 371.445 0.030 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)C1 ZINC001180757827 1206398347 /nfs/dbraw/zinc/39/83/47/1206398347.db2.gz HWFLWYNPGWBAFA-INIZCTEOSA-N 2 2 371.445 0.030 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760725 1206399619 /nfs/dbraw/zinc/39/96/19/1206399619.db2.gz UHZKVLCKEUAMHD-SQNIBIBYSA-N 2 2 360.458 0.214 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760725 1206399621 /nfs/dbraw/zinc/39/96/21/1206399621.db2.gz UHZKVLCKEUAMHD-SQNIBIBYSA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760725 1206399623 /nfs/dbraw/zinc/39/96/23/1206399623.db2.gz UHZKVLCKEUAMHD-SQNIBIBYSA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001180760725 1206399625 /nfs/dbraw/zinc/39/96/25/1206399625.db2.gz UHZKVLCKEUAMHD-SQNIBIBYSA-N 2 2 360.458 0.214 20 0 FCADLP COCC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181942999 1206417576 /nfs/dbraw/zinc/41/75/76/1206417576.db2.gz SRYWKWPOWQRVND-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP COCC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181942999 1206417577 /nfs/dbraw/zinc/41/75/77/1206417577.db2.gz SRYWKWPOWQRVND-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]Cc1nncn1C ZINC001182669027 1206440966 /nfs/dbraw/zinc/44/09/66/1206440966.db2.gz ATFOVPSHHUPOPV-DEXNDLTESA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182655000 1206441627 /nfs/dbraw/zinc/44/16/27/1206441627.db2.gz VPEXSMUDNUTPCN-BRWVUGGUSA-N 2 2 362.474 0.353 20 0 FCADLP O=C(N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C12CCC[NH+]1CCC2 ZINC001183557701 1206455622 /nfs/dbraw/zinc/45/56/22/1206455622.db2.gz UUAFMFHRTOHZEV-UHFFFAOYSA-N 2 2 355.446 0.884 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258451 1206478007 /nfs/dbraw/zinc/47/80/07/1206478007.db2.gz SVUGXLOZUGTTSC-RBUKOAKNSA-N 2 2 360.502 0.764 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258451 1206478008 /nfs/dbraw/zinc/47/80/08/1206478008.db2.gz SVUGXLOZUGTTSC-RBUKOAKNSA-N 2 2 360.502 0.764 20 0 FCADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039439 1206490436 /nfs/dbraw/zinc/49/04/36/1206490436.db2.gz XZBLYSPWMAKDGE-MLYOOKFZSA-N 2 2 374.485 0.338 20 0 FCADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039439 1206490439 /nfs/dbraw/zinc/49/04/39/1206490439.db2.gz XZBLYSPWMAKDGE-MLYOOKFZSA-N 2 2 374.485 0.338 20 0 FCADLP C[NH+](Cc1cccnc1)[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039439 1206490441 /nfs/dbraw/zinc/49/04/41/1206490441.db2.gz XZBLYSPWMAKDGE-MLYOOKFZSA-N 2 2 374.485 0.338 20 0 FCADLP C[NH+](Cc1cccnc1)[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](O)C2)[C@@H]2CCCO[C@H]12 ZINC001186039439 1206490442 /nfs/dbraw/zinc/49/04/42/1206490442.db2.gz XZBLYSPWMAKDGE-MLYOOKFZSA-N 2 2 374.485 0.338 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001186038153 1206491408 /nfs/dbraw/zinc/49/14/08/1206491408.db2.gz NGDUVXZOFALBLZ-KRWDZBQOSA-N 2 2 363.458 0.540 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001186038153 1206491410 /nfs/dbraw/zinc/49/14/10/1206491410.db2.gz NGDUVXZOFALBLZ-KRWDZBQOSA-N 2 2 363.458 0.540 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001186038153 1206491411 /nfs/dbraw/zinc/49/14/11/1206491411.db2.gz NGDUVXZOFALBLZ-KRWDZBQOSA-N 2 2 363.458 0.540 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001186038153 1206491412 /nfs/dbraw/zinc/49/14/12/1206491412.db2.gz NGDUVXZOFALBLZ-KRWDZBQOSA-N 2 2 363.458 0.540 20 0 FCADLP C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001186044446 1206492120 /nfs/dbraw/zinc/49/21/20/1206492120.db2.gz HBOCRECOGMEUEX-FMKPAKJESA-N 2 2 372.473 0.698 20 0 FCADLP C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001186044446 1206492121 /nfs/dbraw/zinc/49/21/21/1206492121.db2.gz HBOCRECOGMEUEX-FMKPAKJESA-N 2 2 372.473 0.698 20 0 FCADLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001186054958 1206492523 /nfs/dbraw/zinc/49/25/23/1206492523.db2.gz JVUVCUYDMMMTOM-YHOLWWCESA-N 2 2 374.485 0.776 20 0 FCADLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001186054958 1206492525 /nfs/dbraw/zinc/49/25/25/1206492525.db2.gz JVUVCUYDMMMTOM-YHOLWWCESA-N 2 2 374.485 0.776 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186898682 1206509149 /nfs/dbraw/zinc/50/91/49/1206509149.db2.gz SYISXGZTLRMNQL-QGZVFWFLSA-N 2 2 360.458 0.368 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001186898682 1206509151 /nfs/dbraw/zinc/50/91/51/1206509151.db2.gz SYISXGZTLRMNQL-QGZVFWFLSA-N 2 2 360.458 0.368 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220599914 1224960109 /nfs/dbraw/zinc/96/01/09/1224960109.db2.gz SCEWNCFYTHZGIN-KURKYZTESA-N 2 2 369.506 0.075 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)CC1 ZINC001220599914 1224960112 /nfs/dbraw/zinc/96/01/12/1224960112.db2.gz SCEWNCFYTHZGIN-KURKYZTESA-N 2 2 369.506 0.075 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188714738 1207476309 /nfs/dbraw/zinc/47/63/09/1207476309.db2.gz FVHVNNYKWPFTNQ-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188714738 1207476313 /nfs/dbraw/zinc/47/63/13/1207476313.db2.gz FVHVNNYKWPFTNQ-DLBZAZTESA-N 2 2 359.474 0.674 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189134723 1207511090 /nfs/dbraw/zinc/51/10/90/1207511090.db2.gz DHZUYMVFMNKEIO-YQQAZPJKSA-N 2 2 359.474 0.423 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189134723 1207511096 /nfs/dbraw/zinc/51/10/96/1207511096.db2.gz DHZUYMVFMNKEIO-YQQAZPJKSA-N 2 2 359.474 0.423 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151956 1207512947 /nfs/dbraw/zinc/51/29/47/1207512947.db2.gz WKQKONBLCBEIJN-RYQLBKOJSA-N 2 2 358.486 0.567 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151956 1207512952 /nfs/dbraw/zinc/51/29/52/1207512952.db2.gz WKQKONBLCBEIJN-RYQLBKOJSA-N 2 2 358.486 0.567 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151956 1207512957 /nfs/dbraw/zinc/51/29/57/1207512957.db2.gz WKQKONBLCBEIJN-RYQLBKOJSA-N 2 2 358.486 0.567 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151956 1207512960 /nfs/dbraw/zinc/51/29/60/1207512960.db2.gz WKQKONBLCBEIJN-RYQLBKOJSA-N 2 2 358.486 0.567 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001189425374 1207548434 /nfs/dbraw/zinc/54/84/34/1207548434.db2.gz MCQWTNCXQJILBR-DLBZAZTESA-N 2 2 359.474 0.737 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189470696 1207551032 /nfs/dbraw/zinc/55/10/32/1207551032.db2.gz JYWSLYUBVMPIBG-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001189470696 1207551034 /nfs/dbraw/zinc/55/10/34/1207551034.db2.gz JYWSLYUBVMPIBG-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189639763 1207575392 /nfs/dbraw/zinc/57/53/92/1207575392.db2.gz DROUWBGZEGPPCX-MAUKXSAKSA-N 2 2 371.441 0.423 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189639763 1207575394 /nfs/dbraw/zinc/57/53/94/1207575394.db2.gz DROUWBGZEGPPCX-MAUKXSAKSA-N 2 2 371.441 0.423 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC001189787525 1207601809 /nfs/dbraw/zinc/60/18/09/1207601809.db2.gz POBNIPFPRNXTBZ-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC001189787525 1207601817 /nfs/dbraw/zinc/60/18/17/1207601817.db2.gz POBNIPFPRNXTBZ-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189942156 1207628020 /nfs/dbraw/zinc/62/80/20/1207628020.db2.gz MFTLKMWUNUDDJV-DOTOQJQBSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001189942156 1207628025 /nfs/dbraw/zinc/62/80/25/1207628025.db2.gz MFTLKMWUNUDDJV-DOTOQJQBSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001189941879 1207628084 /nfs/dbraw/zinc/62/80/84/1207628084.db2.gz FXOSRRQMYJLWCG-LZLYRXPVSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001189941879 1207628088 /nfs/dbraw/zinc/62/80/88/1207628088.db2.gz FXOSRRQMYJLWCG-LZLYRXPVSA-N 2 2 362.474 0.989 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681799 1225009006 /nfs/dbraw/zinc/00/90/06/1225009006.db2.gz PVQFIKCKUOPOTC-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681799 1225009019 /nfs/dbraw/zinc/00/90/19/1225009019.db2.gz PVQFIKCKUOPOTC-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681799 1225009028 /nfs/dbraw/zinc/00/90/28/1225009028.db2.gz PVQFIKCKUOPOTC-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220681799 1225009041 /nfs/dbraw/zinc/00/90/41/1225009041.db2.gz PVQFIKCKUOPOTC-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992976 1207635498 /nfs/dbraw/zinc/63/54/98/1207635498.db2.gz VLVBWRJQDKLGOC-DOTOQJQBSA-N 2 2 361.490 0.752 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992976 1207635503 /nfs/dbraw/zinc/63/55/03/1207635503.db2.gz VLVBWRJQDKLGOC-DOTOQJQBSA-N 2 2 361.490 0.752 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149027 1207648194 /nfs/dbraw/zinc/64/81/94/1207648194.db2.gz OPWXVZWFUSIIQP-YQQAZPJKSA-N 2 2 360.458 0.380 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149027 1207648206 /nfs/dbraw/zinc/64/82/06/1207648206.db2.gz OPWXVZWFUSIIQP-YQQAZPJKSA-N 2 2 360.458 0.380 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149027 1207648212 /nfs/dbraw/zinc/64/82/12/1207648212.db2.gz OPWXVZWFUSIIQP-YQQAZPJKSA-N 2 2 360.458 0.380 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4ccco4)C[C@H]32)C1 ZINC001190149027 1207648220 /nfs/dbraw/zinc/64/82/20/1207648220.db2.gz OPWXVZWFUSIIQP-YQQAZPJKSA-N 2 2 360.458 0.380 20 0 FCADLP O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220687806 1225012935 /nfs/dbraw/zinc/01/29/35/1225012935.db2.gz UPPOXQKVPHNHSY-HLIPFELVSA-N 2 2 356.470 0.493 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481651 1207686821 /nfs/dbraw/zinc/68/68/21/1207686821.db2.gz ZSJIOOQSZIAVER-YESZJQIVSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481651 1207686823 /nfs/dbraw/zinc/68/68/23/1207686823.db2.gz ZSJIOOQSZIAVER-YESZJQIVSA-N 2 2 361.490 0.967 20 0 FCADLP O=C(NC[C@H]1CCC(=O)N(Cc2ccccc2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220687809 1225013415 /nfs/dbraw/zinc/01/34/15/1225013415.db2.gz UPPOXQKVPHNHSY-UWVAXJGDSA-N 2 2 356.470 0.493 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001190473794 1207692311 /nfs/dbraw/zinc/69/23/11/1207692311.db2.gz NQROMXIDOLOBKJ-YQVWRLOYSA-N 2 2 370.453 0.856 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001190473794 1207692314 /nfs/dbraw/zinc/69/23/14/1207692314.db2.gz NQROMXIDOLOBKJ-YQVWRLOYSA-N 2 2 370.453 0.856 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775419064 1207733612 /nfs/dbraw/zinc/73/36/12/1207733612.db2.gz MJLBEEKMJHNGER-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775419064 1207733617 /nfs/dbraw/zinc/73/36/17/1207733617.db2.gz MJLBEEKMJHNGER-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775419064 1207733622 /nfs/dbraw/zinc/73/36/22/1207733622.db2.gz MJLBEEKMJHNGER-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775419064 1207733626 /nfs/dbraw/zinc/73/36/26/1207733626.db2.gz MJLBEEKMJHNGER-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193110198 1207858798 /nfs/dbraw/zinc/85/87/98/1207858798.db2.gz GKGBRNVDUBCJFD-IAGOWNOFSA-N 2 2 364.490 0.740 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193110198 1207858801 /nfs/dbraw/zinc/85/88/01/1207858801.db2.gz GKGBRNVDUBCJFD-IAGOWNOFSA-N 2 2 364.490 0.740 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CC1 ZINC001193791387 1207889449 /nfs/dbraw/zinc/88/94/49/1207889449.db2.gz LDIRMDFFWCZASR-ZACQAIPSSA-N 2 2 363.506 0.640 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)C1CC1 ZINC001193791387 1207889451 /nfs/dbraw/zinc/88/94/51/1207889451.db2.gz LDIRMDFFWCZASR-ZACQAIPSSA-N 2 2 363.506 0.640 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806027 1207891744 /nfs/dbraw/zinc/89/17/44/1207891744.db2.gz XVAGCHZOAQMXPU-DJIMGWMZSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806027 1207891745 /nfs/dbraw/zinc/89/17/45/1207891745.db2.gz XVAGCHZOAQMXPU-DJIMGWMZSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193806027 1207891748 /nfs/dbraw/zinc/89/17/48/1207891748.db2.gz XVAGCHZOAQMXPU-DJIMGWMZSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193806027 1207891749 /nfs/dbraw/zinc/89/17/49/1207891749.db2.gz XVAGCHZOAQMXPU-DJIMGWMZSA-N 2 2 368.522 0.183 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805914 1207892072 /nfs/dbraw/zinc/89/20/72/1207892072.db2.gz UKKURUXGFBLQKQ-KZNAEPCWSA-N 2 2 365.449 0.505 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805914 1207892073 /nfs/dbraw/zinc/89/20/73/1207892073.db2.gz UKKURUXGFBLQKQ-KZNAEPCWSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805914 1207892074 /nfs/dbraw/zinc/89/20/74/1207892074.db2.gz UKKURUXGFBLQKQ-KZNAEPCWSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805914 1207892075 /nfs/dbraw/zinc/89/20/75/1207892075.db2.gz UKKURUXGFBLQKQ-KZNAEPCWSA-N 2 2 365.449 0.505 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001194076456 1207914664 /nfs/dbraw/zinc/91/46/64/1207914664.db2.gz QPEHHDUERQXGFB-IAGOWNOFSA-N 2 2 362.474 0.101 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001194076456 1207914668 /nfs/dbraw/zinc/91/46/68/1207914668.db2.gz QPEHHDUERQXGFB-IAGOWNOFSA-N 2 2 362.474 0.101 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O)[NH+](C)C ZINC001194095732 1207917377 /nfs/dbraw/zinc/91/73/77/1207917377.db2.gz NHUUJNJYNNHYQR-BZUAXINKSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191678 1207922701 /nfs/dbraw/zinc/92/27/01/1207922701.db2.gz NKZTXAHKZFDWQL-CGTJXYLNSA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191678 1207922703 /nfs/dbraw/zinc/92/27/03/1207922703.db2.gz NKZTXAHKZFDWQL-CGTJXYLNSA-N 2 2 364.490 0.670 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001194244378 1207926281 /nfs/dbraw/zinc/92/62/81/1207926281.db2.gz NSJJVCVDJSJSJM-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001194244378 1207926285 /nfs/dbraw/zinc/92/62/85/1207926285.db2.gz NSJJVCVDJSJSJM-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001194244378 1207926288 /nfs/dbraw/zinc/92/62/88/1207926288.db2.gz NSJJVCVDJSJSJM-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001194244378 1207926292 /nfs/dbraw/zinc/92/62/92/1207926292.db2.gz NSJJVCVDJSJSJM-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289356 1207934270 /nfs/dbraw/zinc/93/42/70/1207934270.db2.gz KQRYNCKEKQGBFV-BMGDILEWSA-N 2 2 370.457 0.620 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289356 1207934274 /nfs/dbraw/zinc/93/42/74/1207934274.db2.gz KQRYNCKEKQGBFV-BMGDILEWSA-N 2 2 370.457 0.620 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)on1 ZINC001194290234 1207935118 /nfs/dbraw/zinc/93/51/18/1207935118.db2.gz RURKWSIRHMCDPZ-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)on1 ZINC001194290234 1207935122 /nfs/dbraw/zinc/93/51/22/1207935122.db2.gz RURKWSIRHMCDPZ-IAGOWNOFSA-N 2 2 359.430 0.566 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C1CCCCC1 ZINC001195708760 1208036714 /nfs/dbraw/zinc/03/67/14/1208036714.db2.gz TUYCITOHKLGQDM-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C1CCCCC1 ZINC001195708760 1208036717 /nfs/dbraw/zinc/03/67/17/1208036717.db2.gz TUYCITOHKLGQDM-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001195821477 1208042447 /nfs/dbraw/zinc/04/24/47/1208042447.db2.gz KSJAFMRTMUBJOL-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001195821477 1208042451 /nfs/dbraw/zinc/04/24/51/1208042451.db2.gz KSJAFMRTMUBJOL-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001195821477 1208042456 /nfs/dbraw/zinc/04/24/56/1208042456.db2.gz KSJAFMRTMUBJOL-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001195821477 1208042461 /nfs/dbraw/zinc/04/24/61/1208042461.db2.gz KSJAFMRTMUBJOL-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821271 1208042468 /nfs/dbraw/zinc/04/24/68/1208042468.db2.gz IJPWYJZEJPNGKF-DJIMGWMZSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195821271 1208042473 /nfs/dbraw/zinc/04/24/73/1208042473.db2.gz IJPWYJZEJPNGKF-DJIMGWMZSA-N 2 2 368.522 0.040 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001195841694 1208042750 /nfs/dbraw/zinc/04/27/50/1208042750.db2.gz BASGQBLRKRHYSJ-GVDBMIGSSA-N 2 2 365.478 0.199 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001195841694 1208042756 /nfs/dbraw/zinc/04/27/56/1208042756.db2.gz BASGQBLRKRHYSJ-GVDBMIGSSA-N 2 2 365.478 0.199 20 0 FCADLP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001195841694 1208042759 /nfs/dbraw/zinc/04/27/59/1208042759.db2.gz BASGQBLRKRHYSJ-GVDBMIGSSA-N 2 2 365.478 0.199 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222524 1208068488 /nfs/dbraw/zinc/06/84/88/1208068488.db2.gz QOWORJHKOGXXOO-BZUAXINKSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222524 1208068490 /nfs/dbraw/zinc/06/84/90/1208068490.db2.gz QOWORJHKOGXXOO-BZUAXINKSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222524 1208068492 /nfs/dbraw/zinc/06/84/92/1208068492.db2.gz QOWORJHKOGXXOO-BZUAXINKSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222524 1208068494 /nfs/dbraw/zinc/06/84/94/1208068494.db2.gz QOWORJHKOGXXOO-BZUAXINKSA-N 2 2 370.538 0.381 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001196268978 1208070059 /nfs/dbraw/zinc/07/00/59/1208070059.db2.gz PZYZDFKIJBBWOG-NVXWUHKLSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001196268978 1208070062 /nfs/dbraw/zinc/07/00/62/1208070062.db2.gz PZYZDFKIJBBWOG-NVXWUHKLSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001196268978 1208070065 /nfs/dbraw/zinc/07/00/65/1208070065.db2.gz PZYZDFKIJBBWOG-NVXWUHKLSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001196268978 1208070067 /nfs/dbraw/zinc/07/00/67/1208070067.db2.gz PZYZDFKIJBBWOG-NVXWUHKLSA-N 2 2 366.506 0.251 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001196501346 1208090094 /nfs/dbraw/zinc/09/00/94/1208090094.db2.gz XLHCVDCISONYJI-NWANDNLSSA-N 2 2 362.434 0.320 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001196501346 1208090097 /nfs/dbraw/zinc/09/00/97/1208090097.db2.gz XLHCVDCISONYJI-NWANDNLSSA-N 2 2 362.434 0.320 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196918241 1208117303 /nfs/dbraw/zinc/11/73/03/1208117303.db2.gz BZNMNCNFGPAZBU-IAGOWNOFSA-N 2 2 362.474 0.001 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001196918241 1208117304 /nfs/dbraw/zinc/11/73/04/1208117304.db2.gz BZNMNCNFGPAZBU-IAGOWNOFSA-N 2 2 362.474 0.001 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000849 1208127733 /nfs/dbraw/zinc/12/77/33/1208127733.db2.gz MRSCLLXISKDIEG-BRWVUGGUSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000849 1208127735 /nfs/dbraw/zinc/12/77/35/1208127735.db2.gz MRSCLLXISKDIEG-BRWVUGGUSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000849 1208127743 /nfs/dbraw/zinc/12/77/43/1208127743.db2.gz MRSCLLXISKDIEG-BRWVUGGUSA-N 2 2 370.538 0.575 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001197058434 1208132023 /nfs/dbraw/zinc/13/20/23/1208132023.db2.gz SYPAMTVQLWQOLF-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1O ZINC001197058434 1208132027 /nfs/dbraw/zinc/13/20/27/1208132027.db2.gz SYPAMTVQLWQOLF-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O)C(C)C ZINC001197018193 1208132489 /nfs/dbraw/zinc/13/24/89/1208132489.db2.gz PJBMIZKDRLBNAO-KZNAEPCWSA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O)C(C)C ZINC001197018193 1208132491 /nfs/dbraw/zinc/13/24/91/1208132491.db2.gz PJBMIZKDRLBNAO-KZNAEPCWSA-N 2 2 363.506 0.813 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001197320447 1208153537 /nfs/dbraw/zinc/15/35/37/1208153537.db2.gz ZYQWLXWWPHIUSV-HZPDHXFCSA-N 2 2 366.462 0.064 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)o1 ZINC001197320447 1208153539 /nfs/dbraw/zinc/15/35/39/1208153539.db2.gz ZYQWLXWWPHIUSV-HZPDHXFCSA-N 2 2 366.462 0.064 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492882 1208166250 /nfs/dbraw/zinc/16/62/50/1208166250.db2.gz APEHJXMTFBCNLK-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492882 1208166251 /nfs/dbraw/zinc/16/62/51/1208166251.db2.gz APEHJXMTFBCNLK-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492882 1208166253 /nfs/dbraw/zinc/16/62/53/1208166253.db2.gz APEHJXMTFBCNLK-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001197492882 1208166255 /nfs/dbraw/zinc/16/62/55/1208166255.db2.gz APEHJXMTFBCNLK-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926737 1208206274 /nfs/dbraw/zinc/20/62/74/1208206274.db2.gz VFRFMVJBAKZEHG-BRWVUGGUSA-N 2 2 370.538 0.430 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926737 1208206276 /nfs/dbraw/zinc/20/62/76/1208206276.db2.gz VFRFMVJBAKZEHG-BRWVUGGUSA-N 2 2 370.538 0.430 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001198017791 1208211369 /nfs/dbraw/zinc/21/13/69/1208211369.db2.gz MBBJFVSKMUAPPF-MOPGFXCFSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001198017791 1208211373 /nfs/dbraw/zinc/21/13/73/1208211373.db2.gz MBBJFVSKMUAPPF-MOPGFXCFSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)n2cnc(C[NH3+])cc2=N)cc1 ZINC001198029612 1208215742 /nfs/dbraw/zinc/21/57/42/1208215742.db2.gz DZKKJIWJRLNGPT-UHFFFAOYSA-N 3 2 356.474 0.893 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)n2cnc(C[NH3+])cc2=N)cc1 ZINC001198029612 1208215744 /nfs/dbraw/zinc/21/57/44/1208215744.db2.gz DZKKJIWJRLNGPT-UHFFFAOYSA-N 3 2 356.474 0.893 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001198293190 1208235673 /nfs/dbraw/zinc/23/56/73/1208235673.db2.gz YBEJECGEODWORN-QZTJIDSGSA-N 2 2 364.490 0.721 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001198293190 1208235675 /nfs/dbraw/zinc/23/56/75/1208235675.db2.gz YBEJECGEODWORN-QZTJIDSGSA-N 2 2 364.490 0.721 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110511471 1208262178 /nfs/dbraw/zinc/26/21/78/1208262178.db2.gz FRPPZCQPTWBWFV-JJXSEGSLSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110511471 1208262182 /nfs/dbraw/zinc/26/21/82/1208262182.db2.gz FRPPZCQPTWBWFV-JJXSEGSLSA-N 2 2 359.474 0.980 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001198699637 1208280084 /nfs/dbraw/zinc/28/00/84/1208280084.db2.gz VGGCLWQRZJNQGL-ZTFGCOKTSA-N 2 2 365.449 0.455 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198688498 1208283087 /nfs/dbraw/zinc/28/30/87/1208283087.db2.gz GLEKKCGKFNLXRD-ZTFGCOKTSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198688498 1208283090 /nfs/dbraw/zinc/28/30/90/1208283090.db2.gz GLEKKCGKFNLXRD-ZTFGCOKTSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729365 1208283826 /nfs/dbraw/zinc/28/38/26/1208283826.db2.gz LMUSRQZARZVRBS-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729365 1208283828 /nfs/dbraw/zinc/28/38/28/1208283828.db2.gz LMUSRQZARZVRBS-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)c2ccccc2OC)CC[N@@H+]1C ZINC001198741810 1208284667 /nfs/dbraw/zinc/28/46/67/1208284667.db2.gz NCADBSVMNXFKKH-ARFHVFGLSA-N 2 2 362.474 0.658 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)c2ccccc2OC)CC[N@H+]1C ZINC001198741810 1208284674 /nfs/dbraw/zinc/28/46/74/1208284674.db2.gz NCADBSVMNXFKKH-ARFHVFGLSA-N 2 2 362.474 0.658 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199023521 1208310144 /nfs/dbraw/zinc/31/01/44/1208310144.db2.gz LJVRXGPRZFPXAP-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199023521 1208310147 /nfs/dbraw/zinc/31/01/47/1208310147.db2.gz LJVRXGPRZFPXAP-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199057733 1208314738 /nfs/dbraw/zinc/31/47/38/1208314738.db2.gz RSJHRSUOHIHGPY-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001199057733 1208314739 /nfs/dbraw/zinc/31/47/39/1208314739.db2.gz RSJHRSUOHIHGPY-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097176 1208317925 /nfs/dbraw/zinc/31/79/25/1208317925.db2.gz WUBPNIJWTLXDMG-BRWVUGGUSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199097176 1208317928 /nfs/dbraw/zinc/31/79/28/1208317928.db2.gz WUBPNIJWTLXDMG-BRWVUGGUSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199097176 1208317930 /nfs/dbraw/zinc/31/79/30/1208317930.db2.gz WUBPNIJWTLXDMG-BRWVUGGUSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199097176 1208317933 /nfs/dbraw/zinc/31/79/33/1208317933.db2.gz WUBPNIJWTLXDMG-BRWVUGGUSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104640 1208318682 /nfs/dbraw/zinc/31/86/82/1208318682.db2.gz PWSHPUYUYOHCKK-DJIMGWMZSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104640 1208318685 /nfs/dbraw/zinc/31/86/85/1208318685.db2.gz PWSHPUYUYOHCKK-DJIMGWMZSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1O ZINC001199104640 1208318687 /nfs/dbraw/zinc/31/86/87/1208318687.db2.gz PWSHPUYUYOHCKK-DJIMGWMZSA-N 2 2 368.522 0.325 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001199111887 1208321431 /nfs/dbraw/zinc/32/14/31/1208321431.db2.gz QPKRNPKOYQBALH-HUUCEWRRSA-N 2 2 363.462 0.061 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001199111887 1208321435 /nfs/dbraw/zinc/32/14/35/1208321435.db2.gz QPKRNPKOYQBALH-HUUCEWRRSA-N 2 2 363.462 0.061 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001199111887 1208321437 /nfs/dbraw/zinc/32/14/37/1208321437.db2.gz QPKRNPKOYQBALH-HUUCEWRRSA-N 2 2 363.462 0.061 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001199111887 1208321439 /nfs/dbraw/zinc/32/14/39/1208321439.db2.gz QPKRNPKOYQBALH-HUUCEWRRSA-N 2 2 363.462 0.061 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370077 1208343479 /nfs/dbraw/zinc/34/34/79/1208343479.db2.gz JGOKYMGNAOMLMK-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370077 1208343483 /nfs/dbraw/zinc/34/34/83/1208343483.db2.gz JGOKYMGNAOMLMK-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001199397847 1208344377 /nfs/dbraw/zinc/34/43/77/1208344377.db2.gz DGRSHSLBTGODQI-FGTMMUONSA-N 2 2 364.490 0.766 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1F ZINC001220767216 1225063331 /nfs/dbraw/zinc/06/33/31/1225063331.db2.gz SVMZHLMOJWPUOH-CVEARBPZSA-N 2 2 369.437 0.074 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1F ZINC001220767216 1225063343 /nfs/dbraw/zinc/06/33/43/1225063343.db2.gz SVMZHLMOJWPUOH-CVEARBPZSA-N 2 2 369.437 0.074 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)CC1 ZINC001273847700 1208426406 /nfs/dbraw/zinc/42/64/06/1208426406.db2.gz JBPXUWQQACYVTO-HDICACEKSA-N 2 2 360.506 0.611 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)CC1 ZINC001273847700 1208426410 /nfs/dbraw/zinc/42/64/10/1208426410.db2.gz JBPXUWQQACYVTO-HDICACEKSA-N 2 2 360.506 0.611 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001110575205 1208480577 /nfs/dbraw/zinc/48/05/77/1208480577.db2.gz ANZLWGXEDLJYHI-TWPTVVAISA-N 2 2 374.485 0.958 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)CC[N@H+]1C ZINC001110575205 1208480582 /nfs/dbraw/zinc/48/05/82/1208480582.db2.gz ANZLWGXEDLJYHI-TWPTVVAISA-N 2 2 374.485 0.958 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)CC[NH+]1C ZINC001110575205 1208480586 /nfs/dbraw/zinc/48/05/86/1208480586.db2.gz ANZLWGXEDLJYHI-TWPTVVAISA-N 2 2 374.485 0.958 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)CC[NH+]1C ZINC001110575205 1208480593 /nfs/dbraw/zinc/48/05/93/1208480593.db2.gz ANZLWGXEDLJYHI-TWPTVVAISA-N 2 2 374.485 0.958 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001220823872 1225088268 /nfs/dbraw/zinc/08/82/68/1225088268.db2.gz HGNCUWIHHGHLMA-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001220823872 1225088276 /nfs/dbraw/zinc/08/82/76/1225088276.db2.gz HGNCUWIHHGHLMA-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001220823872 1225088287 /nfs/dbraw/zinc/08/82/87/1225088287.db2.gz HGNCUWIHHGHLMA-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001220823872 1225088291 /nfs/dbraw/zinc/08/82/91/1225088291.db2.gz HGNCUWIHHGHLMA-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001220826306 1225092727 /nfs/dbraw/zinc/09/27/27/1225092727.db2.gz XHFSVOPHYCUWFT-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001220826306 1225092738 /nfs/dbraw/zinc/09/27/38/1225092738.db2.gz XHFSVOPHYCUWFT-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001220826306 1225092741 /nfs/dbraw/zinc/09/27/41/1225092741.db2.gz XHFSVOPHYCUWFT-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001220826306 1225092750 /nfs/dbraw/zinc/09/27/50/1225092750.db2.gz XHFSVOPHYCUWFT-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC001489770337 1209095711 /nfs/dbraw/zinc/09/57/11/1209095711.db2.gz GZDGCVXMDLBGTN-HYVNUMGLSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC001489770337 1209095713 /nfs/dbraw/zinc/09/57/13/1209095713.db2.gz GZDGCVXMDLBGTN-HYVNUMGLSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@H](CC[NH+]1CC[C@H](N2CCOC2=O)C1)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437491 1209550451 /nfs/dbraw/zinc/55/04/51/1209550451.db2.gz YKYDBGALGBLKLQ-OWCLPIDISA-N 2 2 366.462 0.818 20 0 FCADLP C[C@H](CC[NH+]1CC[C@H](N2CCOC2=O)C1)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437491 1209550456 /nfs/dbraw/zinc/55/04/56/1209550456.db2.gz YKYDBGALGBLKLQ-OWCLPIDISA-N 2 2 366.462 0.818 20 0 FCADLP O=C(NCC1CCN(C(=O)c2cccnc2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220928397 1225145167 /nfs/dbraw/zinc/14/51/67/1225145167.db2.gz OGHJJFWWWFBXRD-APWZRJJASA-N 2 2 357.458 0.002 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)c1ccccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000853099747 1209583331 /nfs/dbraw/zinc/58/33/31/1209583331.db2.gz YQWLVUOXRURCLU-KRWDZBQOSA-N 2 2 355.442 0.839 20 0 FCADLP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2)CC1 ZINC000854945453 1209652303 /nfs/dbraw/zinc/65/23/03/1209652303.db2.gz RARCPCMUAHWKFH-UHFFFAOYSA-N 2 2 355.442 0.966 20 0 FCADLP Cn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000859214240 1209813774 /nfs/dbraw/zinc/81/37/74/1209813774.db2.gz GROSJKQFKPWHOJ-UHFFFAOYSA-N 2 2 373.457 0.043 20 0 FCADLP Cn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(=O)n(C)c1=O ZINC000859214240 1209813776 /nfs/dbraw/zinc/81/37/76/1209813776.db2.gz GROSJKQFKPWHOJ-UHFFFAOYSA-N 2 2 373.457 0.043 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863760199 1209950967 /nfs/dbraw/zinc/95/09/67/1209950967.db2.gz DZPZMZQCLWYXFS-HNNXBMFYSA-N 2 2 361.490 0.952 20 0 FCADLP NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000865543910 1209979939 /nfs/dbraw/zinc/97/99/39/1209979939.db2.gz CXUYKLPASLXYGJ-MRXNPFEDSA-N 2 2 362.430 0.117 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868218088 1210044322 /nfs/dbraw/zinc/04/43/22/1210044322.db2.gz ZKGKYQOSIXCNFY-MSOLQXFVSA-N 2 2 374.489 0.210 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000868303372 1210050759 /nfs/dbraw/zinc/05/07/59/1210050759.db2.gz YEJFAFPDJDBYGA-FMKPAKJESA-N 2 2 360.458 0.872 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)CC1=O ZINC000870081433 1210107949 /nfs/dbraw/zinc/10/79/49/1210107949.db2.gz GYEUKOFWJZXJHG-DOTOQJQBSA-N 2 2 360.458 0.275 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000873102463 1210234608 /nfs/dbraw/zinc/23/46/08/1210234608.db2.gz KXAYDRSDYCAWJO-AWEZNQCLSA-N 2 2 357.414 0.548 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062548 1225204863 /nfs/dbraw/zinc/20/48/63/1225204863.db2.gz SFBGBYXYTDENHP-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062548 1225204866 /nfs/dbraw/zinc/20/48/66/1225204866.db2.gz SFBGBYXYTDENHP-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221058029 1225201299 /nfs/dbraw/zinc/20/12/99/1225201299.db2.gz ARIQHBYWEQSYSK-CADBVGFASA-N 2 2 367.449 0.990 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221069672 1225208689 /nfs/dbraw/zinc/20/86/89/1225208689.db2.gz LJVRXGPRZFPXAP-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221069672 1225208696 /nfs/dbraw/zinc/20/86/96/1225208696.db2.gz LJVRXGPRZFPXAP-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP O=C(CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000876744332 1210426409 /nfs/dbraw/zinc/42/64/09/1210426409.db2.gz BSABYHLHEACPQR-UZLBHIALSA-N 2 2 371.485 0.769 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@H]21 ZINC000878848819 1210467539 /nfs/dbraw/zinc/46/75/39/1210467539.db2.gz CVNIKVSEYREGNR-NVXWUHKLSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@H]21 ZINC000878848819 1210467541 /nfs/dbraw/zinc/46/75/41/1210467541.db2.gz CVNIKVSEYREGNR-NVXWUHKLSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@H]21 ZINC000878848817 1210467591 /nfs/dbraw/zinc/46/75/91/1210467591.db2.gz CVNIKVSEYREGNR-DOTOQJQBSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@H]21 ZINC000878848817 1210467592 /nfs/dbraw/zinc/46/75/92/1210467592.db2.gz CVNIKVSEYREGNR-DOTOQJQBSA-N 2 2 362.478 0.773 20 0 FCADLP CN(C)c1ccc(NC(=O)CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000879355832 1210479230 /nfs/dbraw/zinc/47/92/30/1210479230.db2.gz OUIVYBLAJOAEHD-UHFFFAOYSA-N 2 2 361.490 0.787 20 0 FCADLP CN(C)c1ccc(NC(=O)CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000879355832 1210479235 /nfs/dbraw/zinc/47/92/35/1210479235.db2.gz OUIVYBLAJOAEHD-UHFFFAOYSA-N 2 2 361.490 0.787 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572002 1210488324 /nfs/dbraw/zinc/48/83/24/1210488324.db2.gz MVLKPSXWVBNCOI-ZACQAIPSSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572002 1210488328 /nfs/dbraw/zinc/48/83/28/1210488328.db2.gz MVLKPSXWVBNCOI-ZACQAIPSSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572002 1210488330 /nfs/dbraw/zinc/48/83/30/1210488330.db2.gz MVLKPSXWVBNCOI-ZACQAIPSSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572002 1210488334 /nfs/dbraw/zinc/48/83/34/1210488334.db2.gz MVLKPSXWVBNCOI-ZACQAIPSSA-N 2 2 374.485 0.979 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CO)(CO)CC1 ZINC000879970571 1210506456 /nfs/dbraw/zinc/50/64/56/1210506456.db2.gz VZTDQXAVBZKSRF-INIZCTEOSA-N 2 2 362.474 0.186 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095664 1225221166 /nfs/dbraw/zinc/22/11/66/1225221166.db2.gz HIGDSXVYLZLVGA-QYZOEREBSA-N 2 2 371.485 0.427 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095664 1225221168 /nfs/dbraw/zinc/22/11/68/1225221168.db2.gz HIGDSXVYLZLVGA-QYZOEREBSA-N 2 2 371.485 0.427 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091495 1225217133 /nfs/dbraw/zinc/21/71/33/1225217133.db2.gz PFFDXRJNYLMNAA-SJORKVTESA-N 2 2 362.474 0.048 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091495 1225217139 /nfs/dbraw/zinc/21/71/39/1225217139.db2.gz PFFDXRJNYLMNAA-SJORKVTESA-N 2 2 362.474 0.048 20 0 FCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091495 1225217145 /nfs/dbraw/zinc/21/71/45/1225217145.db2.gz PFFDXRJNYLMNAA-SJORKVTESA-N 2 2 362.474 0.048 20 0 FCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)c1 ZINC001221091495 1225217147 /nfs/dbraw/zinc/21/71/47/1225217147.db2.gz PFFDXRJNYLMNAA-SJORKVTESA-N 2 2 362.474 0.048 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)NCC1(c3ccccn3)CC[NH2+]CC1)C[NH2+]C2 ZINC001221112084 1225227553 /nfs/dbraw/zinc/22/75/53/1225227553.db2.gz HJBUOWMMQMJVMK-AWEZNQCLSA-N 2 2 369.473 0.317 20 0 FCADLP CO[C@H]1COCC[C@@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000883249064 1210660055 /nfs/dbraw/zinc/66/00/55/1210660055.db2.gz RMOKHDABWQWZJG-ROUUACIJSA-N 2 2 368.522 0.990 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NC1(c3cccnc3)CC[NH2+]CC1)C[NH2+]C2 ZINC001221121367 1225229187 /nfs/dbraw/zinc/22/91/87/1225229187.db2.gz CCLZWTDZBUPNCD-CQSZACIVSA-N 2 2 355.446 0.275 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)NC1(c3cccnc3)CC[NH2+]CC1)C[NH2+]C2 ZINC001221121366 1225229609 /nfs/dbraw/zinc/22/96/09/1225229609.db2.gz CCLZWTDZBUPNCD-AWEZNQCLSA-N 2 2 355.446 0.275 20 0 FCADLP OC1CC[NH+](Cc2cn(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000883992233 1210707454 /nfs/dbraw/zinc/70/74/54/1210707454.db2.gz HKSLBWZTRTVEHX-HXUWFJFHSA-N 2 2 371.485 0.872 20 0 FCADLP OC1CC[NH+](Cc2cn(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000883992233 1210707457 /nfs/dbraw/zinc/70/74/57/1210707457.db2.gz HKSLBWZTRTVEHX-HXUWFJFHSA-N 2 2 371.485 0.872 20 0 FCADLP O=C(OCCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000800218255 1210713381 /nfs/dbraw/zinc/71/33/81/1210713381.db2.gz NGJWMWFWFOSNAJ-QGZVFWFLSA-N 2 2 367.490 0.586 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC000884164158 1210718168 /nfs/dbraw/zinc/71/81/68/1210718168.db2.gz ZOUNAMDIMJNFGH-BQFCYCMXSA-N 2 2 368.522 0.896 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC000884164158 1210718173 /nfs/dbraw/zinc/71/81/73/1210718173.db2.gz ZOUNAMDIMJNFGH-BQFCYCMXSA-N 2 2 368.522 0.896 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c[nH+]1 ZINC000884430957 1210735538 /nfs/dbraw/zinc/73/55/38/1210735538.db2.gz HJLUZUOYHYASLL-CABCVRRESA-N 2 2 361.446 0.710 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)[nH+]c12 ZINC000884492241 1210739302 /nfs/dbraw/zinc/73/93/02/1210739302.db2.gz PWAABKKWHISHSM-HZPDHXFCSA-N 2 2 355.442 0.654 20 0 FCADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000884573542 1210754907 /nfs/dbraw/zinc/75/49/07/1210754907.db2.gz OEHXGRVPJWVJFN-HZPDHXFCSA-N 2 2 353.426 0.145 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884644258 1210771342 /nfs/dbraw/zinc/77/13/42/1210771342.db2.gz IYFPTSUCIIXDBJ-UZLBHIALSA-N 2 2 371.485 0.769 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000884675013 1210777210 /nfs/dbraw/zinc/77/72/10/1210777210.db2.gz PIKKJOQZDXXEHB-UHFFFAOYSA-N 2 2 358.486 0.761 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884674899 1210777337 /nfs/dbraw/zinc/77/73/37/1210777337.db2.gz LJLJYDUTAHJLIS-QGZVFWFLSA-N 2 2 355.442 0.856 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884682674 1210780447 /nfs/dbraw/zinc/78/04/47/1210780447.db2.gz HWBBWJDLZWLCHI-IRXDYDNUSA-N 2 2 355.442 0.999 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884688184 1210781335 /nfs/dbraw/zinc/78/13/35/1210781335.db2.gz VPKAVSJYXHRVQM-QGZVFWFLSA-N 2 2 362.474 0.038 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884688184 1210781345 /nfs/dbraw/zinc/78/13/45/1210781345.db2.gz VPKAVSJYXHRVQM-QGZVFWFLSA-N 2 2 362.474 0.038 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000884690040 1210781477 /nfs/dbraw/zinc/78/14/77/1210781477.db2.gz IRJHCTQCIPHWBF-SFHVURJKSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000884690040 1210781482 /nfs/dbraw/zinc/78/14/82/1210781482.db2.gz IRJHCTQCIPHWBF-SFHVURJKSA-N 2 2 374.485 0.180 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884720657 1210789043 /nfs/dbraw/zinc/78/90/43/1210789043.db2.gz RMIHYLBOHOXNAE-DJIMGWMZSA-N 2 2 355.442 0.855 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884775018 1210793367 /nfs/dbraw/zinc/79/33/67/1210793367.db2.gz WNCLGSBFZYYDID-JONQDZQNSA-N 2 2 368.522 0.495 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884775018 1210793379 /nfs/dbraw/zinc/79/33/79/1210793379.db2.gz WNCLGSBFZYYDID-JONQDZQNSA-N 2 2 368.522 0.495 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000884970049 1210805868 /nfs/dbraw/zinc/80/58/68/1210805868.db2.gz CNMRDKJLKHTUAE-GDBMZVCRSA-N 2 2 360.458 0.956 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000885010211 1210807599 /nfs/dbraw/zinc/80/75/99/1210807599.db2.gz KUKYGYOHFJHDFF-LVQVYYBASA-N 2 2 359.474 0.773 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885004973 1210807735 /nfs/dbraw/zinc/80/77/35/1210807735.db2.gz PYZVFKPBYKJYNI-DNMXQMFDSA-N 2 2 356.470 0.936 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885004973 1210807738 /nfs/dbraw/zinc/80/77/38/1210807738.db2.gz PYZVFKPBYKJYNI-DNMXQMFDSA-N 2 2 356.470 0.936 20 0 FCADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000885021945 1210809663 /nfs/dbraw/zinc/80/96/63/1210809663.db2.gz HRAIKYYRAFABPV-SFHVURJKSA-N 2 2 374.485 0.516 20 0 FCADLP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000885021945 1210809664 /nfs/dbraw/zinc/80/96/64/1210809664.db2.gz HRAIKYYRAFABPV-SFHVURJKSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000885022127 1210809834 /nfs/dbraw/zinc/80/98/34/1210809834.db2.gz KSXWIOOQNHJWMJ-GOSISDBHSA-N 2 2 374.485 0.646 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000885022127 1210809838 /nfs/dbraw/zinc/80/98/38/1210809838.db2.gz KSXWIOOQNHJWMJ-GOSISDBHSA-N 2 2 374.485 0.646 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+](C)[C@@H]1CC[C@@H]([NH+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000886389237 1210829053 /nfs/dbraw/zinc/82/90/53/1210829053.db2.gz ABXNDWXSCQTHOE-YXSUXZIUSA-N 2 2 362.486 0.731 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000886389237 1210829054 /nfs/dbraw/zinc/82/90/54/1210829054.db2.gz ABXNDWXSCQTHOE-YXSUXZIUSA-N 2 2 362.486 0.731 20 0 FCADLP C[C@H](c1nnnn1C)[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnnn2C)CC1 ZINC000886389237 1210829058 /nfs/dbraw/zinc/82/90/58/1210829058.db2.gz ABXNDWXSCQTHOE-YXSUXZIUSA-N 2 2 362.486 0.731 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221154248 1225243555 /nfs/dbraw/zinc/24/35/55/1225243555.db2.gz IQFDAHGVEUHICN-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221154248 1225243558 /nfs/dbraw/zinc/24/35/58/1225243558.db2.gz IQFDAHGVEUHICN-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001221161305 1225246867 /nfs/dbraw/zinc/24/68/67/1225246867.db2.gz GFEFFWCLTHQWAH-MSOLQXFVSA-N 2 2 358.442 0.517 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001221161305 1225246869 /nfs/dbraw/zinc/24/68/69/1225246869.db2.gz GFEFFWCLTHQWAH-MSOLQXFVSA-N 2 2 358.442 0.517 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274410000 1211046498 /nfs/dbraw/zinc/04/64/98/1211046498.db2.gz YXPGJQYCYPKFNY-BZSNNMDCSA-N 2 2 361.490 0.669 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274410000 1211046500 /nfs/dbraw/zinc/04/65/00/1211046500.db2.gz YXPGJQYCYPKFNY-BZSNNMDCSA-N 2 2 361.490 0.669 20 0 FCADLP COC(=O)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275131745 1211177298 /nfs/dbraw/zinc/17/72/98/1211177298.db2.gz DSTPLCFOIAAZRI-GOSISDBHSA-N 2 2 362.430 0.714 20 0 FCADLP COC(=O)CCC[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275131745 1211177301 /nfs/dbraw/zinc/17/73/01/1211177301.db2.gz DSTPLCFOIAAZRI-GOSISDBHSA-N 2 2 362.430 0.714 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@H+](CC1CCOCC1)C2 ZINC001275141700 1211178735 /nfs/dbraw/zinc/17/87/35/1211178735.db2.gz HXIIXPSKDDVNET-LJQANCHMSA-N 2 2 362.474 0.898 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CCOCC1)C2 ZINC001275141700 1211178738 /nfs/dbraw/zinc/17/87/38/1211178738.db2.gz HXIIXPSKDDVNET-LJQANCHMSA-N 2 2 362.474 0.898 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152684 1211182143 /nfs/dbraw/zinc/18/21/43/1211182143.db2.gz NVCIYVWFAXPRRU-DNVCBOLYSA-N 2 2 359.474 0.903 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152684 1211182148 /nfs/dbraw/zinc/18/21/48/1211182148.db2.gz NVCIYVWFAXPRRU-DNVCBOLYSA-N 2 2 359.474 0.903 20 0 FCADLP CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171045 1211187704 /nfs/dbraw/zinc/18/77/04/1211187704.db2.gz BUFQNGVYQPQMPF-MRXNPFEDSA-N 2 2 360.506 0.183 20 0 FCADLP CCn1ccnc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001275171045 1211187708 /nfs/dbraw/zinc/18/77/08/1211187708.db2.gz BUFQNGVYQPQMPF-MRXNPFEDSA-N 2 2 360.506 0.183 20 0 FCADLP CCn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001275171045 1211187713 /nfs/dbraw/zinc/18/77/13/1211187713.db2.gz BUFQNGVYQPQMPF-MRXNPFEDSA-N 2 2 360.506 0.183 20 0 FCADLP CCn1ccnc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001275171045 1211187716 /nfs/dbraw/zinc/18/77/16/1211187716.db2.gz BUFQNGVYQPQMPF-MRXNPFEDSA-N 2 2 360.506 0.183 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001221221421 1225272502 /nfs/dbraw/zinc/27/25/02/1225272502.db2.gz LYVORWIEZVOMTD-BJLQDIEVSA-N 2 2 369.465 0.974 20 0 FCADLP O=C1COC2(CN(CCC[NH+]3CCCCC3)C2)CN1CCn1cc[nH+]c1 ZINC001275342804 1211218585 /nfs/dbraw/zinc/21/85/85/1211218585.db2.gz FCYIFOAVGNZSER-UHFFFAOYSA-N 2 2 361.490 0.672 20 0 FCADLP O=C1COCC2(CN(CCC[NH+]3CCCCC3)C2)N1CCn1cc[nH+]c1 ZINC001275344248 1211219672 /nfs/dbraw/zinc/21/96/72/1211219672.db2.gz XEVKHCNDCFRMSH-UHFFFAOYSA-N 2 2 361.490 0.672 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275391929 1211229840 /nfs/dbraw/zinc/22/98/40/1211229840.db2.gz BTCLJBLFCOQAKD-SFHVURJKSA-N 2 2 361.446 0.206 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275391929 1211229844 /nfs/dbraw/zinc/22/98/44/1211229844.db2.gz BTCLJBLFCOQAKD-SFHVURJKSA-N 2 2 361.446 0.206 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](Cc3ncccn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275428867 1211235144 /nfs/dbraw/zinc/23/51/44/1211235144.db2.gz DACRARAHAFTIRM-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](Cc3ncccn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275428867 1211235148 /nfs/dbraw/zinc/23/51/48/1211235148.db2.gz DACRARAHAFTIRM-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)OCC1=O ZINC001275440394 1211238017 /nfs/dbraw/zinc/23/80/17/1211238017.db2.gz AVAAYWBIYZGRDV-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)OCC1=O ZINC001275440394 1211238021 /nfs/dbraw/zinc/23/80/21/1211238021.db2.gz AVAAYWBIYZGRDV-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443293 1211238656 /nfs/dbraw/zinc/23/86/56/1211238656.db2.gz ONQKNWWYCNXZAG-SCLBCKFNSA-N 2 2 362.430 0.249 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443293 1211238658 /nfs/dbraw/zinc/23/86/58/1211238658.db2.gz ONQKNWWYCNXZAG-SCLBCKFNSA-N 2 2 362.430 0.249 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001275455422 1211241717 /nfs/dbraw/zinc/24/17/17/1211241717.db2.gz KNILRODGDPUIOS-QAPCUYQASA-N 2 2 362.430 0.249 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](Cc3cc[nH]c(=O)c3)C2)OCC1=O ZINC001275460372 1211243939 /nfs/dbraw/zinc/24/39/39/1211243939.db2.gz JRVKWNVDMOLIFA-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](Cc3cc[nH]c(=O)c3)C2)OCC1=O ZINC001275460372 1211243943 /nfs/dbraw/zinc/24/39/43/1211243943.db2.gz JRVKWNVDMOLIFA-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](Cc3cnccn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275472672 1211247049 /nfs/dbraw/zinc/24/70/49/1211247049.db2.gz PRULGRQASGLHJM-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](Cc3cnccn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275472672 1211247052 /nfs/dbraw/zinc/24/70/52/1211247052.db2.gz PRULGRQASGLHJM-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C(CN1CCC(=O)C1)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275730790 1211277210 /nfs/dbraw/zinc/27/72/10/1211277210.db2.gz QLNUFGVVEFQLOW-MOPGFXCFSA-N 2 2 359.474 0.709 20 0 FCADLP CNC(=O)C(C)(C)N1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275749982 1211280615 /nfs/dbraw/zinc/28/06/15/1211280615.db2.gz BSBHMCYFLDBSGQ-UHFFFAOYSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275799836 1211285859 /nfs/dbraw/zinc/28/58/59/1211285859.db2.gz OCYPHMBWGIXEKP-INIZCTEOSA-N 2 2 360.458 0.278 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001275799836 1211285863 /nfs/dbraw/zinc/28/58/63/1211285863.db2.gz OCYPHMBWGIXEKP-INIZCTEOSA-N 2 2 360.458 0.278 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)C3)n(C)n1 ZINC001275801308 1211286172 /nfs/dbraw/zinc/28/61/72/1211286172.db2.gz PDQUIZAMXJHEJN-QGZVFWFLSA-N 2 2 361.490 0.220 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCCN(C(=O)C[N@H+]2CC[C@@H](O)C2)C3)n(C)n1 ZINC001275801308 1211286176 /nfs/dbraw/zinc/28/61/76/1211286176.db2.gz PDQUIZAMXJHEJN-QGZVFWFLSA-N 2 2 361.490 0.220 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCCN(C(=O)C[N@@H+]2CC[C@H](O)C2)C3)n(C)n1 ZINC001275801307 1211286433 /nfs/dbraw/zinc/28/64/33/1211286433.db2.gz PDQUIZAMXJHEJN-KRWDZBQOSA-N 2 2 361.490 0.220 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCCN(C(=O)C[N@H+]2CC[C@H](O)C2)C3)n(C)n1 ZINC001275801307 1211286435 /nfs/dbraw/zinc/28/64/35/1211286435.db2.gz PDQUIZAMXJHEJN-KRWDZBQOSA-N 2 2 361.490 0.220 20 0 FCADLP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275833794 1211293999 /nfs/dbraw/zinc/29/39/99/1211293999.db2.gz QAVASLJWROKBPC-UHFFFAOYSA-N 2 2 359.474 0.622 20 0 FCADLP Cn1ncc2cc(C[NH+]3CC4(C3)COCC(=O)N4CC[NH+](C)C)ccc21 ZINC001276028615 1211326834 /nfs/dbraw/zinc/32/68/34/1211326834.db2.gz IBYNOVSBYDIDEL-UHFFFAOYSA-N 2 2 357.458 0.548 20 0 FCADLP CNc1nccc(C[N@@H+]2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276057010 1211342429 /nfs/dbraw/zinc/34/24/29/1211342429.db2.gz MANXOQNMXFEFDK-SFHVURJKSA-N 2 2 355.446 0.839 20 0 FCADLP CNc1nccc(C[N@H+]2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276057010 1211342432 /nfs/dbraw/zinc/34/24/32/1211342432.db2.gz MANXOQNMXFEFDK-SFHVURJKSA-N 2 2 355.446 0.839 20 0 FCADLP CNc1nccc(C[N@@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001276057629 1211343818 /nfs/dbraw/zinc/34/38/18/1211343818.db2.gz YMHNVRRBEURLCY-GOSISDBHSA-N 2 2 355.446 0.876 20 0 FCADLP CNc1nccc(C[N@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001276057629 1211343821 /nfs/dbraw/zinc/34/38/21/1211343821.db2.gz YMHNVRRBEURLCY-GOSISDBHSA-N 2 2 355.446 0.876 20 0 FCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001095448103 1211348610 /nfs/dbraw/zinc/34/86/10/1211348610.db2.gz ZFMCVJOFTXLYBE-LTIDMASMSA-N 2 2 371.485 0.714 20 0 FCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001095448103 1211348614 /nfs/dbraw/zinc/34/86/14/1211348614.db2.gz ZFMCVJOFTXLYBE-LTIDMASMSA-N 2 2 371.485 0.714 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252691 1211393944 /nfs/dbraw/zinc/39/39/44/1211393944.db2.gz WJLPDIWOVWQNRI-RDTXWAMCSA-N 2 2 364.446 0.280 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252691 1211393946 /nfs/dbraw/zinc/39/39/46/1211393946.db2.gz WJLPDIWOVWQNRI-RDTXWAMCSA-N 2 2 364.446 0.280 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001095531765 1211397947 /nfs/dbraw/zinc/39/79/47/1211397947.db2.gz QZAYBDPYZZZOSD-UGUYLWEFSA-N 2 2 372.473 0.507 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001095531765 1211397950 /nfs/dbraw/zinc/39/79/50/1211397950.db2.gz QZAYBDPYZZZOSD-UGUYLWEFSA-N 2 2 372.473 0.507 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885926 1211463525 /nfs/dbraw/zinc/46/35/25/1211463525.db2.gz DAOAGLVFIAXIRI-DGAVXFQQSA-N 2 2 365.478 0.166 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110885926 1211463527 /nfs/dbraw/zinc/46/35/27/1211463527.db2.gz DAOAGLVFIAXIRI-DGAVXFQQSA-N 2 2 365.478 0.166 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000925609112 1211504967 /nfs/dbraw/zinc/50/49/67/1211504967.db2.gz OWASIHGBTXQUSI-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000926389272 1211543636 /nfs/dbraw/zinc/54/36/36/1211543636.db2.gz PBVSXBZQORDUCI-MSOLQXFVSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000926389272 1211543640 /nfs/dbraw/zinc/54/36/40/1211543640.db2.gz PBVSXBZQORDUCI-MSOLQXFVSA-N 2 2 358.486 0.569 20 0 FCADLP COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C)c(C(=O)NC[C@@H]2CC[NH+]2C)c1 ZINC000928570578 1211605597 /nfs/dbraw/zinc/60/55/97/1211605597.db2.gz FKVIAWYBPGAWQK-HOTGVXAUSA-N 2 2 374.485 0.492 20 0 FCADLP 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C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001221791635 1225482852 /nfs/dbraw/zinc/48/28/52/1225482852.db2.gz VYGBANZJUMTNMD-ARFHVFGLSA-N 2 2 362.474 0.941 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1)c1ccco1 ZINC001221791635 1225482857 /nfs/dbraw/zinc/48/28/57/1225482857.db2.gz VYGBANZJUMTNMD-ARFHVFGLSA-N 2 2 362.474 0.941 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001011264908 1213859823 /nfs/dbraw/zinc/85/98/23/1213859823.db2.gz VUZCQOWXBFSRDN-INMHGKMJSA-N 2 2 359.474 0.535 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@@H+]1C ZINC001014306752 1213937152 /nfs/dbraw/zinc/93/71/52/1213937152.db2.gz VKFTUQIJMKYFEO-RGPZOAQRSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@H+]1C ZINC001014306752 1213937156 /nfs/dbraw/zinc/93/71/56/1213937156.db2.gz VKFTUQIJMKYFEO-RGPZOAQRSA-N 2 2 359.474 0.932 20 0 FCADLP CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001016769021 1214041814 /nfs/dbraw/zinc/04/18/14/1214041814.db2.gz PTIAOZUSEOWBNR-NEXFUWMNSA-N 2 2 357.458 0.715 20 0 FCADLP CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001016769021 1214041821 /nfs/dbraw/zinc/04/18/21/1214041821.db2.gz PTIAOZUSEOWBNR-NEXFUWMNSA-N 2 2 357.458 0.715 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001017054472 1214068713 /nfs/dbraw/zinc/06/87/13/1214068713.db2.gz MWHOOECPKBOHRF-QDIHITRGSA-N 2 2 371.485 0.725 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001017488715 1214103606 /nfs/dbraw/zinc/10/36/06/1214103606.db2.gz JFDJJYTYJVWMLI-GDBMZVCRSA-N 2 2 359.474 0.876 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001017488715 1214103610 /nfs/dbraw/zinc/10/36/10/1214103610.db2.gz JFDJJYTYJVWMLI-GDBMZVCRSA-N 2 2 359.474 0.876 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961315774 1214154649 /nfs/dbraw/zinc/15/46/49/1214154649.db2.gz UZOWLOFHBWWUIF-GFEQUFNTSA-N 2 2 363.502 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961315774 1214154653 /nfs/dbraw/zinc/15/46/53/1214154653.db2.gz UZOWLOFHBWWUIF-GFEQUFNTSA-N 2 2 363.502 0.713 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001018858385 1214165718 /nfs/dbraw/zinc/16/57/18/1214165718.db2.gz GAQJQUXQHZVPMX-HLLBOEOZSA-N 2 2 369.473 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001018881141 1214167954 /nfs/dbraw/zinc/16/79/54/1214167954.db2.gz ZMJMCEWNMDKFSW-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001018881141 1214167960 /nfs/dbraw/zinc/16/79/60/1214167960.db2.gz ZMJMCEWNMDKFSW-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)CC[N@@H+]1C ZINC001019598713 1214272945 /nfs/dbraw/zinc/27/29/45/1214272945.db2.gz DHVABBHRSKREQQ-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)CC[N@H+]1C ZINC001019598713 1214272956 /nfs/dbraw/zinc/27/29/56/1214272956.db2.gz DHVABBHRSKREQQ-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872138 1225515857 /nfs/dbraw/zinc/51/58/57/1225515857.db2.gz SBCPJXHJHMQMKF-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872138 1225515863 /nfs/dbraw/zinc/51/58/63/1225515863.db2.gz SBCPJXHJHMQMKF-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221872816 1225516959 /nfs/dbraw/zinc/51/69/59/1225516959.db2.gz ISIRMTVGMXBINY-BRWVUGGUSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001221872816 1225516964 /nfs/dbraw/zinc/51/69/64/1225516964.db2.gz ISIRMTVGMXBINY-BRWVUGGUSA-N 2 2 359.474 0.783 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001020166336 1214315247 /nfs/dbraw/zinc/31/52/47/1214315247.db2.gz ZHCHFQWTGZAPQJ-KCYZZUKISA-N 2 2 369.473 0.719 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C)[NH+](C)C ZINC001020368463 1214344688 /nfs/dbraw/zinc/34/46/88/1214344688.db2.gz MOCUAVOQWKZEKP-CQJMVSDSSA-N 2 2 361.490 0.969 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039614851 1214411278 /nfs/dbraw/zinc/41/12/78/1214411278.db2.gz RJQFHEBLJLEQQO-HLLBOEOZSA-N 2 2 370.461 0.581 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21)[NH+](C)C ZINC001040671716 1214559099 /nfs/dbraw/zinc/55/90/99/1214559099.db2.gz UUMKSMOGGUTDNK-NWANDNLSSA-N 2 2 357.462 0.741 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c2c([nH+]1)CCCC2 ZINC001041050089 1214678470 /nfs/dbraw/zinc/67/84/70/1214678470.db2.gz WTSCBMWDUQTDGP-KBRIMQKVSA-N 2 2 359.474 0.281 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c2c([nH+]1)CCCC2 ZINC001041050089 1214678475 /nfs/dbraw/zinc/67/84/75/1214678475.db2.gz WTSCBMWDUQTDGP-KBRIMQKVSA-N 2 2 359.474 0.281 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nc(C(C)C)[nH+]1 ZINC001041081247 1214691602 /nfs/dbraw/zinc/69/16/02/1214691602.db2.gz OMXVCPKUZZCTAS-HZPDHXFCSA-N 2 2 361.490 0.916 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950136 1225548998 /nfs/dbraw/zinc/54/89/98/1225548998.db2.gz VFAZZZNJWXMSFP-GVDBMIGSSA-N 2 2 362.518 0.920 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950136 1225549001 /nfs/dbraw/zinc/54/90/01/1225549001.db2.gz VFAZZZNJWXMSFP-GVDBMIGSSA-N 2 2 362.518 0.920 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cc(C)[nH+]1 ZINC001041138622 1214718238 /nfs/dbraw/zinc/71/82/38/1214718238.db2.gz DWGIEKJXAKKCQR-HZPDHXFCSA-N 2 2 361.490 0.745 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221952170 1225550690 /nfs/dbraw/zinc/55/06/90/1225550690.db2.gz RKPKRPCHODDQSM-CRAIPNDOSA-N 2 2 371.485 0.820 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21 ZINC001221952170 1225550696 /nfs/dbraw/zinc/55/06/96/1225550696.db2.gz RKPKRPCHODDQSM-CRAIPNDOSA-N 2 2 371.485 0.820 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221960858 1225554725 /nfs/dbraw/zinc/55/47/25/1225554725.db2.gz KSJQLDKEOZTNPT-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221960858 1225554729 /nfs/dbraw/zinc/55/47/29/1225554729.db2.gz KSJQLDKEOZTNPT-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1nonc1C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030381 1214891004 /nfs/dbraw/zinc/89/10/04/1214891004.db2.gz LCHAVVBXLXWKKH-OBIUKESQSA-N 2 2 363.462 0.614 20 0 FCADLP Cc1nonc1C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030381 1214891005 /nfs/dbraw/zinc/89/10/05/1214891005.db2.gz LCHAVVBXLXWKKH-OBIUKESQSA-N 2 2 363.462 0.614 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001222018315 1225578406 /nfs/dbraw/zinc/57/84/06/1225578406.db2.gz WXBJGYXSXRAWJV-DJIMGWMZSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001222018315 1225578408 /nfs/dbraw/zinc/57/84/08/1225578408.db2.gz WXBJGYXSXRAWJV-DJIMGWMZSA-N 2 2 361.490 0.885 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC000966032699 1215160972 /nfs/dbraw/zinc/16/09/72/1215160972.db2.gz NEEGLSMGQRQSJG-SJORKVTESA-N 2 2 371.441 0.016 20 0 FCADLP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890533 1215263220 /nfs/dbraw/zinc/26/32/20/1215263220.db2.gz CZOXAJKOKTXEMP-MOPGFXCFSA-N 2 2 359.470 0.462 20 0 FCADLP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890533 1215263223 /nfs/dbraw/zinc/26/32/23/1215263223.db2.gz CZOXAJKOKTXEMP-MOPGFXCFSA-N 2 2 359.470 0.462 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000968088255 1215282533 /nfs/dbraw/zinc/28/25/33/1215282533.db2.gz BHRJITUQAPUHHP-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000968088255 1215282538 /nfs/dbraw/zinc/28/25/38/1215282538.db2.gz BHRJITUQAPUHHP-NUEKZKHPSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968090691 1215283003 /nfs/dbraw/zinc/28/30/03/1215283003.db2.gz FHRMVIDFECBLRH-BFYDXBDKSA-N 2 2 359.474 0.913 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)c1ccccc1 ZINC001222050859 1225591356 /nfs/dbraw/zinc/59/13/56/1225591356.db2.gz HOGHCWJSQLBUKZ-GUDVDZBRSA-N 2 2 361.486 0.831 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21)c1ccccc1 ZINC001222050859 1225591358 /nfs/dbraw/zinc/59/13/58/1225591358.db2.gz HOGHCWJSQLBUKZ-GUDVDZBRSA-N 2 2 361.486 0.831 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001222093865 1225599331 /nfs/dbraw/zinc/59/93/31/1225599331.db2.gz RHUAXSJPHWEEJF-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001222093865 1225599333 /nfs/dbraw/zinc/59/93/33/1225599333.db2.gz RHUAXSJPHWEEJF-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001222093865 1225599340 /nfs/dbraw/zinc/59/93/40/1225599340.db2.gz RHUAXSJPHWEEJF-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)Cc1ccccc1 ZINC001222093865 1225599343 /nfs/dbraw/zinc/59/93/43/1225599343.db2.gz RHUAXSJPHWEEJF-GUDVDZBRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3ncnc4c3C[NH+](C)CC4)CC2)CC[N@@H+]1C ZINC001056053331 1215943755 /nfs/dbraw/zinc/94/37/55/1215943755.db2.gz KWQWMBCQYHWDNH-HUUCEWRRSA-N 2 2 358.490 0.453 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3ncnc4c3C[NH+](C)CC4)CC2)CC[N@H+]1C ZINC001056053331 1215943763 /nfs/dbraw/zinc/94/37/63/1215943763.db2.gz KWQWMBCQYHWDNH-HUUCEWRRSA-N 2 2 358.490 0.453 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)CC[NH+]1C ZINC001056053331 1215943768 /nfs/dbraw/zinc/94/37/68/1215943768.db2.gz KWQWMBCQYHWDNH-HUUCEWRRSA-N 2 2 358.490 0.453 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)CC[NH+]1C ZINC001056053331 1215943775 /nfs/dbraw/zinc/94/37/75/1215943775.db2.gz KWQWMBCQYHWDNH-HUUCEWRRSA-N 2 2 358.490 0.453 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC[N@@H+]1C ZINC001056802854 1215986400 /nfs/dbraw/zinc/98/64/00/1215986400.db2.gz HGGUJGYXEVOVGP-QLFBSQMISA-N 2 2 361.494 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC[N@H+]1C ZINC001056802854 1215986402 /nfs/dbraw/zinc/98/64/02/1215986402.db2.gz HGGUJGYXEVOVGP-QLFBSQMISA-N 2 2 361.494 0.989 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001000005763 1215988852 /nfs/dbraw/zinc/98/88/52/1215988852.db2.gz QHPDTEMQAHUSEO-JFIYKMOQSA-N 2 2 371.485 0.725 20 0 FCADLP CCn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001000246726 1216027059 /nfs/dbraw/zinc/02/70/59/1216027059.db2.gz PHJOIQCJVHLTEO-NUEKZKHPSA-N 2 2 357.462 0.916 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001000471267 1216066247 /nfs/dbraw/zinc/06/62/47/1216066247.db2.gz PQCAUWQSDUNAEH-FZKCQIBNSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001000471267 1216066254 /nfs/dbraw/zinc/06/62/54/1216066254.db2.gz PQCAUWQSDUNAEH-FZKCQIBNSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001000471269 1216066335 /nfs/dbraw/zinc/06/63/35/1216066335.db2.gz PQCAUWQSDUNAEH-WCVJEAGWSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001000471269 1216066342 /nfs/dbraw/zinc/06/63/42/1216066342.db2.gz PQCAUWQSDUNAEH-WCVJEAGWSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001000558539 1216084655 /nfs/dbraw/zinc/08/46/55/1216084655.db2.gz BSLZPZOIPWWISX-MTSZKFMLSA-N 2 2 371.485 0.868 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)C1 ZINC001000892008 1216121649 /nfs/dbraw/zinc/12/16/49/1216121649.db2.gz BYUNADUFTBJKLA-PMPSAXMXSA-N 2 2 359.474 0.932 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)C1 ZINC001000892008 1216121651 /nfs/dbraw/zinc/12/16/51/1216121651.db2.gz BYUNADUFTBJKLA-PMPSAXMXSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001160476 1216133759 /nfs/dbraw/zinc/13/37/59/1216133759.db2.gz ORTPYUHSDHXQND-IAOVAPTHSA-N 2 2 371.485 0.939 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001160476 1216133760 /nfs/dbraw/zinc/13/37/60/1216133760.db2.gz ORTPYUHSDHXQND-IAOVAPTHSA-N 2 2 371.485 0.939 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001001171060 1216134296 /nfs/dbraw/zinc/13/42/96/1216134296.db2.gz HVSCGPGUESKZNT-ZACQAIPSSA-N 2 2 371.485 0.893 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1=O ZINC001001171060 1216134298 /nfs/dbraw/zinc/13/42/98/1216134298.db2.gz HVSCGPGUESKZNT-ZACQAIPSSA-N 2 2 371.485 0.893 20 0 FCADLP O=C(NCC1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001001501267 1216227607 /nfs/dbraw/zinc/22/76/07/1216227607.db2.gz RWHYVFSXOZXYEU-HZPDHXFCSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NCC1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001001501267 1216227613 /nfs/dbraw/zinc/22/76/13/1216227613.db2.gz RWHYVFSXOZXYEU-HZPDHXFCSA-N 2 2 359.474 0.964 20 0 FCADLP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001531272 1216238485 /nfs/dbraw/zinc/23/84/85/1216238485.db2.gz CYDYVESMIILSGA-CRAIPNDOSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001531272 1216238499 /nfs/dbraw/zinc/23/84/99/1216238499.db2.gz CYDYVESMIILSGA-CRAIPNDOSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001050090434 1216280891 /nfs/dbraw/zinc/28/08/91/1216280891.db2.gz BIWLFOKXWYEZCB-KMFMINBZSA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001050090434 1216280898 /nfs/dbraw/zinc/28/08/98/1216280898.db2.gz BIWLFOKXWYEZCB-KMFMINBZSA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050090434 1216280903 /nfs/dbraw/zinc/28/09/03/1216280903.db2.gz BIWLFOKXWYEZCB-KMFMINBZSA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050090434 1216280909 /nfs/dbraw/zinc/28/09/09/1216280909.db2.gz BIWLFOKXWYEZCB-KMFMINBZSA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001050090435 1216281808 /nfs/dbraw/zinc/28/18/08/1216281808.db2.gz BIWLFOKXWYEZCB-UKPHBRMFSA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001050090435 1216281813 /nfs/dbraw/zinc/28/18/13/1216281813.db2.gz BIWLFOKXWYEZCB-UKPHBRMFSA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050090435 1216281822 /nfs/dbraw/zinc/28/18/22/1216281822.db2.gz BIWLFOKXWYEZCB-UKPHBRMFSA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC001050090435 1216281830 /nfs/dbraw/zinc/28/18/30/1216281830.db2.gz BIWLFOKXWYEZCB-UKPHBRMFSA-N 2 2 358.490 0.642 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001050142879 1216293639 /nfs/dbraw/zinc/29/36/39/1216293639.db2.gz KXEIALHUFRFHNV-BVIKNXMNSA-N 2 2 369.473 0.738 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001050142879 1216293646 /nfs/dbraw/zinc/29/36/46/1216293646.db2.gz KXEIALHUFRFHNV-BVIKNXMNSA-N 2 2 369.473 0.738 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1[nH+]cnc2c1cnn2C ZINC001050471185 1216322804 /nfs/dbraw/zinc/32/28/04/1216322804.db2.gz ZMETUXRZODWVIP-OCCSQVGLSA-N 2 2 355.446 0.543 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2nnnn2C)CC3)CC[N@@H+]1C ZINC001050523499 1216329723 /nfs/dbraw/zinc/32/97/23/1216329723.db2.gz FJPZQDNPTQGSLP-LSDHHAIUSA-N 2 2 361.494 0.365 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2nnnn2C)CC3)CC[N@H+]1C ZINC001050523499 1216329729 /nfs/dbraw/zinc/32/97/29/1216329729.db2.gz FJPZQDNPTQGSLP-LSDHHAIUSA-N 2 2 361.494 0.365 20 0 FCADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001051663199 1216473162 /nfs/dbraw/zinc/47/31/62/1216473162.db2.gz BMSUSHALHXETCL-ARFHVFGLSA-N 2 2 358.446 0.572 20 0 FCADLP Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)cn1 ZINC001051833995 1216484464 /nfs/dbraw/zinc/48/44/64/1216484464.db2.gz CRIGWRFMRCBPFD-BZUAXINKSA-N 2 2 358.446 0.274 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001057771162 1216563619 /nfs/dbraw/zinc/56/36/19/1216563619.db2.gz VWIAGTBJKPFQDF-BPLDGKMQSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001057771162 1216563621 /nfs/dbraw/zinc/56/36/21/1216563621.db2.gz VWIAGTBJKPFQDF-BPLDGKMQSA-N 2 2 361.494 0.989 20 0 FCADLP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001058238496 1216655417 /nfs/dbraw/zinc/65/54/17/1216655417.db2.gz GGKXGLUIOIPWRK-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001058238496 1216655422 /nfs/dbraw/zinc/65/54/22/1216655422.db2.gz GGKXGLUIOIPWRK-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001098096709 1216793819 /nfs/dbraw/zinc/79/38/19/1216793819.db2.gz BXZRFGNKMANXHU-LVQVYYBASA-N 2 2 362.474 0.245 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001098096709 1216793824 /nfs/dbraw/zinc/79/38/24/1216793824.db2.gz BXZRFGNKMANXHU-LVQVYYBASA-N 2 2 362.474 0.245 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902512 1216827694 /nfs/dbraw/zinc/82/76/94/1216827694.db2.gz ATLMQSSNMGJCAZ-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902512 1216827697 /nfs/dbraw/zinc/82/76/97/1216827697.db2.gz ATLMQSSNMGJCAZ-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902512 1216827698 /nfs/dbraw/zinc/82/76/98/1216827698.db2.gz ATLMQSSNMGJCAZ-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902512 1216827703 /nfs/dbraw/zinc/82/77/03/1216827703.db2.gz ATLMQSSNMGJCAZ-SQNIBIBYSA-N 2 2 369.473 0.617 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001069964029 1216871101 /nfs/dbraw/zinc/87/11/01/1216871101.db2.gz VERNGJBHOLIYBC-OLMNPRSZSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001069964029 1216871102 /nfs/dbraw/zinc/87/11/02/1216871102.db2.gz VERNGJBHOLIYBC-OLMNPRSZSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001069964029 1216871104 /nfs/dbraw/zinc/87/11/04/1216871104.db2.gz VERNGJBHOLIYBC-OLMNPRSZSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001069964029 1216871107 /nfs/dbraw/zinc/87/11/07/1216871107.db2.gz VERNGJBHOLIYBC-OLMNPRSZSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041343931 1217289112 /nfs/dbraw/zinc/28/91/12/1217289112.db2.gz MKBBXMVQQXPDQO-APHBMKBZSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041343931 1217289116 /nfs/dbraw/zinc/28/91/16/1217289116.db2.gz MKBBXMVQQXPDQO-APHBMKBZSA-N 2 2 359.474 0.670 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@]3(CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401455 1217312383 /nfs/dbraw/zinc/31/23/83/1217312383.db2.gz BCOQJOMYEXXKBZ-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@]3(CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401455 1217312393 /nfs/dbraw/zinc/31/23/93/1217312393.db2.gz BCOQJOMYEXXKBZ-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401455 1217312399 /nfs/dbraw/zinc/31/23/99/1217312399.db2.gz BCOQJOMYEXXKBZ-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001041401455 1217312405 /nfs/dbraw/zinc/31/24/05/1217312405.db2.gz BCOQJOMYEXXKBZ-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001041794860 1217362923 /nfs/dbraw/zinc/36/29/23/1217362923.db2.gz NOPTXHMOZBHLMX-KBRIMQKVSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001041794860 1217362931 /nfs/dbraw/zinc/36/29/31/1217362931.db2.gz NOPTXHMOZBHLMX-KBRIMQKVSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001041794860 1217362936 /nfs/dbraw/zinc/36/29/36/1217362936.db2.gz NOPTXHMOZBHLMX-KBRIMQKVSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001041794860 1217362942 /nfs/dbraw/zinc/36/29/42/1217362942.db2.gz NOPTXHMOZBHLMX-KBRIMQKVSA-N 2 2 358.490 0.500 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223840104 1225740095 /nfs/dbraw/zinc/74/00/95/1225740095.db2.gz YJALOSXZVXPFCB-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223840104 1225740097 /nfs/dbraw/zinc/74/00/97/1225740097.db2.gz YJALOSXZVXPFCB-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223840104 1225740102 /nfs/dbraw/zinc/74/01/02/1225740102.db2.gz YJALOSXZVXPFCB-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223840104 1225740104 /nfs/dbraw/zinc/74/01/04/1225740104.db2.gz YJALOSXZVXPFCB-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916214 1225745985 /nfs/dbraw/zinc/74/59/85/1225745985.db2.gz AJTGDEPSDUMHLP-CABCVRRESA-N 2 2 365.478 0.633 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)o1 ZINC001223916214 1225745989 /nfs/dbraw/zinc/74/59/89/1225745989.db2.gz AJTGDEPSDUMHLP-CABCVRRESA-N 2 2 365.478 0.633 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223962213 1225749636 /nfs/dbraw/zinc/74/96/36/1225749636.db2.gz MGFZDPUZDNILID-CABCVRRESA-N 2 2 364.494 0.263 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223962213 1225749639 /nfs/dbraw/zinc/74/96/39/1225749639.db2.gz MGFZDPUZDNILID-CABCVRRESA-N 2 2 364.494 0.263 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223962213 1225749643 /nfs/dbraw/zinc/74/96/43/1225749643.db2.gz MGFZDPUZDNILID-CABCVRRESA-N 2 2 364.494 0.263 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001223962213 1225749646 /nfs/dbraw/zinc/74/96/46/1225749646.db2.gz MGFZDPUZDNILID-CABCVRRESA-N 2 2 364.494 0.263 20 0 FCADLP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043227802 1217594844 /nfs/dbraw/zinc/59/48/44/1217594844.db2.gz PBZWIFSCVQTENF-IUODEOHRSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043357982 1217640951 /nfs/dbraw/zinc/64/09/51/1217640951.db2.gz APWQTCNKOKMXRH-DFBGVHRSSA-N 2 2 357.462 0.962 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224189665 1225763276 /nfs/dbraw/zinc/76/32/76/1225763276.db2.gz FZFAVDJARVTSMI-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224189665 1225763282 /nfs/dbraw/zinc/76/32/82/1225763282.db2.gz FZFAVDJARVTSMI-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001224189665 1225763286 /nfs/dbraw/zinc/76/32/86/1225763286.db2.gz FZFAVDJARVTSMI-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001224189665 1225763291 /nfs/dbraw/zinc/76/32/91/1225763291.db2.gz FZFAVDJARVTSMI-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)cc(C)[nH+]1 ZINC001043726192 1217719110 /nfs/dbraw/zinc/71/91/10/1217719110.db2.gz CFXNTIZLBNFBET-HRCADAONSA-N 2 2 359.474 0.715 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)cc(C)[nH+]1 ZINC001043726192 1217719113 /nfs/dbraw/zinc/71/91/13/1217719113.db2.gz CFXNTIZLBNFBET-HRCADAONSA-N 2 2 359.474 0.715 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001224245773 1225767870 /nfs/dbraw/zinc/76/78/70/1225767870.db2.gz DCDRRYZNLHAOQW-CABCVRRESA-N 2 2 364.494 0.899 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001224245773 1225767873 /nfs/dbraw/zinc/76/78/73/1225767873.db2.gz DCDRRYZNLHAOQW-CABCVRRESA-N 2 2 364.494 0.899 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001224245773 1225767877 /nfs/dbraw/zinc/76/78/77/1225767877.db2.gz DCDRRYZNLHAOQW-CABCVRRESA-N 2 2 364.494 0.899 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001224245773 1225767881 /nfs/dbraw/zinc/76/78/81/1225767881.db2.gz DCDRRYZNLHAOQW-CABCVRRESA-N 2 2 364.494 0.899 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001043959263 1217782820 /nfs/dbraw/zinc/78/28/20/1217782820.db2.gz JGXICDQALHDRAY-CABCVRRESA-N 2 2 358.446 0.779 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043966868 1217784670 /nfs/dbraw/zinc/78/46/70/1217784670.db2.gz WTSCBMWDUQTDGP-XKQJLSEDSA-N 2 2 359.474 0.281 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001043966868 1217784674 /nfs/dbraw/zinc/78/46/74/1217784674.db2.gz WTSCBMWDUQTDGP-XKQJLSEDSA-N 2 2 359.474 0.281 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001043993097 1217788287 /nfs/dbraw/zinc/78/82/87/1217788287.db2.gz PZAZBPWGQZFTEA-OAGGEKHMSA-N 2 2 361.490 0.888 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H](O)C2)cc(C)[nH+]1 ZINC001043993097 1217788291 /nfs/dbraw/zinc/78/82/91/1217788291.db2.gz PZAZBPWGQZFTEA-OAGGEKHMSA-N 2 2 361.490 0.888 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@H]2O)CC[N@@H+]1C ZINC001044665749 1217867990 /nfs/dbraw/zinc/86/79/90/1217867990.db2.gz CRMONJQRLHWHGY-HZMVEIRTSA-N 2 2 361.490 0.798 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@H]2O)CC[N@H+]1C ZINC001044665749 1217867991 /nfs/dbraw/zinc/86/79/91/1217867991.db2.gz CRMONJQRLHWHGY-HZMVEIRTSA-N 2 2 361.490 0.798 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044813372 1217883560 /nfs/dbraw/zinc/88/35/60/1217883560.db2.gz BAKKWWKDPHQKOQ-CVEARBPZSA-N 2 2 352.398 0.721 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)C2 ZINC001096019489 1217921545 /nfs/dbraw/zinc/92/15/45/1217921545.db2.gz KMLYACIWCOZXKY-MVJTYMMSSA-N 2 2 369.473 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)C2 ZINC001096019489 1217921547 /nfs/dbraw/zinc/92/15/47/1217921547.db2.gz KMLYACIWCOZXKY-MVJTYMMSSA-N 2 2 369.473 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001096030837 1217934086 /nfs/dbraw/zinc/93/40/86/1217934086.db2.gz QHXHMIFNWMWLAV-SUJAAXHWSA-N 2 2 372.473 0.270 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001096030837 1217934091 /nfs/dbraw/zinc/93/40/91/1217934091.db2.gz QHXHMIFNWMWLAV-SUJAAXHWSA-N 2 2 372.473 0.270 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900171173 1217966409 /nfs/dbraw/zinc/96/64/09/1217966409.db2.gz HQUXHMFNDNHLPL-UHFFFAOYSA-N 2 2 367.538 0.073 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900171173 1217966415 /nfs/dbraw/zinc/96/64/15/1217966415.db2.gz HQUXHMFNDNHLPL-UHFFFAOYSA-N 2 2 367.538 0.073 20 0 FCADLP CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000900674641 1218022123 /nfs/dbraw/zinc/02/21/23/1218022123.db2.gz LGIKRNHJDGWQEO-OAHLLOKOSA-N 2 2 362.474 0.366 20 0 FCADLP CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000900674641 1218022128 /nfs/dbraw/zinc/02/21/28/1218022128.db2.gz LGIKRNHJDGWQEO-OAHLLOKOSA-N 2 2 362.474 0.366 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnc(C(=O)N3CC[N@H+](C)[C@H](C)C3)cn2)CC[NH+]1C ZINC000900846617 1218045928 /nfs/dbraw/zinc/04/59/28/1218045928.db2.gz IOFNRZWZUYETAN-ZIAGYGMSSA-N 2 2 360.462 0.029 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)cn2)CC[NH+]1C ZINC000900846617 1218045932 /nfs/dbraw/zinc/04/59/32/1218045932.db2.gz IOFNRZWZUYETAN-ZIAGYGMSSA-N 2 2 360.462 0.029 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000900914657 1218052729 /nfs/dbraw/zinc/05/27/29/1218052729.db2.gz HCLPVERIPZLNRW-KRWDZBQOSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000900914657 1218052736 /nfs/dbraw/zinc/05/27/36/1218052736.db2.gz HCLPVERIPZLNRW-KRWDZBQOSA-N 2 2 369.506 0.831 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047384241 1218136135 /nfs/dbraw/zinc/13/61/35/1218136135.db2.gz OATQVUQALWYMMK-NCOADZHNSA-N 2 2 362.474 0.040 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047384241 1218136137 /nfs/dbraw/zinc/13/61/37/1218136137.db2.gz OATQVUQALWYMMK-NCOADZHNSA-N 2 2 362.474 0.040 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001096249300 1218185096 /nfs/dbraw/zinc/18/50/96/1218185096.db2.gz VESJHTDWOFGSKN-LTIDMASMSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001096249300 1218185102 /nfs/dbraw/zinc/18/51/02/1218185102.db2.gz VESJHTDWOFGSKN-LTIDMASMSA-N 2 2 366.425 0.491 20 0 FCADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cn(C)nn1 ZINC000902865347 1218320335 /nfs/dbraw/zinc/32/03/35/1218320335.db2.gz JYKKAJHNIZWYMK-GJZGRUSLSA-N 2 2 372.477 0.761 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(CC)n4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048828395 1218322960 /nfs/dbraw/zinc/32/29/60/1218322960.db2.gz VFNDLNFRTCNWHK-CIRFHOKZSA-N 2 2 360.506 0.919 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(CC)n4)C[C@@H]3C2)CC[N@H+]1C ZINC001048828395 1218322969 /nfs/dbraw/zinc/32/29/69/1218322969.db2.gz VFNDLNFRTCNWHK-CIRFHOKZSA-N 2 2 360.506 0.919 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(CC)n4)C[C@@H]3C2)CC[NH+]1C ZINC001048828395 1218322975 /nfs/dbraw/zinc/32/29/75/1218322975.db2.gz VFNDLNFRTCNWHK-CIRFHOKZSA-N 2 2 360.506 0.919 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(CC)n4)C[C@@H]3C2)CC[NH+]1C ZINC001048828395 1218322981 /nfs/dbraw/zinc/32/29/81/1218322981.db2.gz VFNDLNFRTCNWHK-CIRFHOKZSA-N 2 2 360.506 0.919 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048874916 1218333168 /nfs/dbraw/zinc/33/31/68/1218333168.db2.gz YPTAPRSEXYUOCH-ORDFZIBCSA-N 2 2 371.485 0.913 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048874916 1218333173 /nfs/dbraw/zinc/33/31/73/1218333173.db2.gz YPTAPRSEXYUOCH-ORDFZIBCSA-N 2 2 371.485 0.913 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048874916 1218333178 /nfs/dbraw/zinc/33/31/78/1218333178.db2.gz YPTAPRSEXYUOCH-ORDFZIBCSA-N 2 2 371.485 0.913 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048874916 1218333183 /nfs/dbraw/zinc/33/31/83/1218333183.db2.gz YPTAPRSEXYUOCH-ORDFZIBCSA-N 2 2 371.485 0.913 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1)C1CC1 ZINC001049066543 1218374077 /nfs/dbraw/zinc/37/40/77/1218374077.db2.gz ITSCRCKWWYNCFK-YALNPMBYSA-N 2 2 371.485 0.535 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1)C1CC1 ZINC001049066543 1218374084 /nfs/dbraw/zinc/37/40/84/1218374084.db2.gz ITSCRCKWWYNCFK-YALNPMBYSA-N 2 2 371.485 0.535 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCn1cncn1 ZINC001049538840 1218480808 /nfs/dbraw/zinc/48/08/08/1218480808.db2.gz ZSNOTYVIRUOSJP-MUIFIZLQSA-N 2 2 355.446 0.870 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC001049538840 1218480816 /nfs/dbraw/zinc/48/08/16/1218480816.db2.gz ZSNOTYVIRUOSJP-MUIFIZLQSA-N 2 2 355.446 0.870 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739429 1218541403 /nfs/dbraw/zinc/54/14/03/1218541403.db2.gz YXJJZBFOJHINPM-LVQVYYBASA-N 2 2 359.474 0.677 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049739429 1218541416 /nfs/dbraw/zinc/54/14/16/1218541416.db2.gz YXJJZBFOJHINPM-LVQVYYBASA-N 2 2 359.474 0.677 20 0 FCADLP NC(=O)Cc1cccc2c1CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903934739 1218567535 /nfs/dbraw/zinc/56/75/35/1218567535.db2.gz JNUZUYPDGUSDBV-MRXNPFEDSA-N 2 2 354.458 0.789 20 0 FCADLP NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903934739 1218567546 /nfs/dbraw/zinc/56/75/46/1218567546.db2.gz JNUZUYPDGUSDBV-MRXNPFEDSA-N 2 2 354.458 0.789 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCC=CO3)CC2)CC1 ZINC000804007680 1218581436 /nfs/dbraw/zinc/58/14/36/1218581436.db2.gz GFWXVRGAXMQRAI-QGZVFWFLSA-N 2 2 364.490 0.470 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001097364599 1218800015 /nfs/dbraw/zinc/80/00/15/1218800015.db2.gz YWBHWFBGXRGPQB-ABFRBSLYSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001097364599 1218800018 /nfs/dbraw/zinc/80/00/18/1218800018.db2.gz YWBHWFBGXRGPQB-ABFRBSLYSA-N 2 2 355.446 0.459 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444981 1218807207 /nfs/dbraw/zinc/80/72/07/1218807207.db2.gz RFHGZBMXLCBDQV-OIISXLGYSA-N 2 2 368.441 0.695 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444981 1218807208 /nfs/dbraw/zinc/80/72/08/1218807208.db2.gz RFHGZBMXLCBDQV-OIISXLGYSA-N 2 2 368.441 0.695 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555347 1218818654 /nfs/dbraw/zinc/81/86/54/1218818654.db2.gz FRNFTSLWEJDMIV-MMNPAVHPSA-N 2 2 373.501 0.960 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555347 1218818656 /nfs/dbraw/zinc/81/86/56/1218818656.db2.gz FRNFTSLWEJDMIV-MMNPAVHPSA-N 2 2 373.501 0.960 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550943 1218820684 /nfs/dbraw/zinc/82/06/84/1218820684.db2.gz PPWASYYVLKOVKL-OJLVUWQFSA-N 2 2 367.409 0.475 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550943 1218820685 /nfs/dbraw/zinc/82/06/85/1218820685.db2.gz PPWASYYVLKOVKL-OJLVUWQFSA-N 2 2 367.409 0.475 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC001052990078 1218870194 /nfs/dbraw/zinc/87/01/94/1218870194.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 3 2 364.534 0.459 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC001052990078 1218870196 /nfs/dbraw/zinc/87/01/96/1218870196.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 3 2 364.534 0.459 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CCO)CC2)CC[NH+]1C ZINC001052990078 1218870198 /nfs/dbraw/zinc/87/01/98/1218870198.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 3 2 364.534 0.459 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CCO)CC2)CC[NH+]1C ZINC001052990078 1218870200 /nfs/dbraw/zinc/87/02/00/1218870200.db2.gz JYCVUDDHEYJAHS-OQIJWPOYSA-N 3 2 364.534 0.459 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCCO4)C3)C2)O1 ZINC001053304917 1218879495 /nfs/dbraw/zinc/87/94/95/1218879495.db2.gz SXMSEPVZMOUJSL-IXDOHACOSA-N 2 2 367.490 0.188 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC[C@@H]4CCCO4)C3)C2)O1 ZINC001053304917 1218879496 /nfs/dbraw/zinc/87/94/96/1218879496.db2.gz SXMSEPVZMOUJSL-IXDOHACOSA-N 2 2 367.490 0.188 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001097893489 1218884997 /nfs/dbraw/zinc/88/49/97/1218884997.db2.gz CWJJWZHAJKIFRU-SFFUCWETSA-N 2 2 356.470 0.539 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001097893489 1218884998 /nfs/dbraw/zinc/88/49/98/1218884998.db2.gz CWJJWZHAJKIFRU-SFFUCWETSA-N 2 2 356.470 0.539 20 0 FCADLP C[NH+]1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001097893489 1218885001 /nfs/dbraw/zinc/88/50/01/1218885001.db2.gz CWJJWZHAJKIFRU-SFFUCWETSA-N 2 2 356.470 0.539 20 0 FCADLP C[NH+]1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001097893489 1218885002 /nfs/dbraw/zinc/88/50/02/1218885002.db2.gz CWJJWZHAJKIFRU-SFFUCWETSA-N 2 2 356.470 0.539 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211996 1225866441 /nfs/dbraw/zinc/86/64/41/1225866441.db2.gz MFUWOPKLCNFQFT-HUUCEWRRSA-N 2 2 365.478 0.845 20 0 FCADLP CC[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055525716 1219067940 /nfs/dbraw/zinc/06/79/40/1219067940.db2.gz IIAYVMZOLIZKBT-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055525716 1219067944 /nfs/dbraw/zinc/06/79/44/1219067944.db2.gz IIAYVMZOLIZKBT-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(C)(C)C)CC2)O1 ZINC001055594499 1219094040 /nfs/dbraw/zinc/09/40/40/1219094040.db2.gz JXZHWLQHMPJJRN-GDBMZVCRSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(C)(C)C)CC2)O1 ZINC001055594499 1219094044 /nfs/dbraw/zinc/09/40/44/1219094044.db2.gz JXZHWLQHMPJJRN-GDBMZVCRSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055595359 1219094413 /nfs/dbraw/zinc/09/44/13/1219094413.db2.gz RVXCGQIYRDUCOB-NVXWUHKLSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055595359 1219094418 /nfs/dbraw/zinc/09/44/18/1219094418.db2.gz RVXCGQIYRDUCOB-NVXWUHKLSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078090 1219147271 /nfs/dbraw/zinc/14/72/71/1219147271.db2.gz VDYSHPWJVQCOOU-CABCVRRESA-N 2 2 371.445 0.212 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078090 1219147276 /nfs/dbraw/zinc/14/72/76/1219147276.db2.gz VDYSHPWJVQCOOU-CABCVRRESA-N 2 2 371.445 0.212 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070109112 1219182822 /nfs/dbraw/zinc/18/28/22/1219182822.db2.gz GBXKTAQCNMZZMR-SJORKVTESA-N 2 2 351.414 0.717 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070109112 1219182825 /nfs/dbraw/zinc/18/28/25/1219182825.db2.gz GBXKTAQCNMZZMR-SJORKVTESA-N 2 2 351.414 0.717 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070109306 1219184693 /nfs/dbraw/zinc/18/46/93/1219184693.db2.gz QHQJHWYIFDPUDD-OAGGEKHMSA-N 2 2 359.434 0.085 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070109306 1219184696 /nfs/dbraw/zinc/18/46/96/1219184696.db2.gz QHQJHWYIFDPUDD-OAGGEKHMSA-N 2 2 359.434 0.085 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cn3cc[nH+]c3)CCOCC2)CC[N@@H+]1C ZINC001070159329 1219245944 /nfs/dbraw/zinc/24/59/44/1219245944.db2.gz YNDIJZMTFCFTBF-HUUCEWRRSA-N 2 2 363.462 0.005 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)Cn3cc[nH+]c3)CCOCC2)CC[N@H+]1C ZINC001070159329 1219245947 /nfs/dbraw/zinc/24/59/47/1219245947.db2.gz YNDIJZMTFCFTBF-HUUCEWRRSA-N 2 2 363.462 0.005 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220017 1219301670 /nfs/dbraw/zinc/30/16/70/1219301670.db2.gz XTEVMXPEAXPIMW-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220191 1219302852 /nfs/dbraw/zinc/30/28/52/1219302852.db2.gz BZTPYOYPTRAPTA-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1n1ccnn1 ZINC001070241480 1219312867 /nfs/dbraw/zinc/31/28/67/1219312867.db2.gz ICZHBDGCWPJCDI-IXDOHACOSA-N 2 2 362.478 0.140 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1n1ccnn1 ZINC001070241480 1219312870 /nfs/dbraw/zinc/31/28/70/1219312870.db2.gz ICZHBDGCWPJCDI-IXDOHACOSA-N 2 2 362.478 0.140 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070284540 1219349154 /nfs/dbraw/zinc/34/91/54/1219349154.db2.gz IPEOFDSPXWGUDQ-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070284814 1219349527 /nfs/dbraw/zinc/34/95/27/1219349527.db2.gz WIOFSBQEJQPEPO-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070284830 1219350113 /nfs/dbraw/zinc/35/01/13/1219350113.db2.gz XENGXIBEEUIXDE-XHSDSOJGSA-N 2 2 359.434 0.155 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070288636 1219351964 /nfs/dbraw/zinc/35/19/64/1219351964.db2.gz ZLPLZEQJWDORAP-CABCVRRESA-N 2 2 363.441 0.999 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001070303063 1219361843 /nfs/dbraw/zinc/36/18/43/1219361843.db2.gz OLKDKIDSMJCAOR-CVEARBPZSA-N 2 2 369.404 0.925 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2n2ccnn2)no1 ZINC001070326938 1219377497 /nfs/dbraw/zinc/37/74/97/1219377497.db2.gz KKJOFCCPMWACCK-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2n2ccnn2)no1 ZINC001070326938 1219377502 /nfs/dbraw/zinc/37/75/02/1219377502.db2.gz KKJOFCCPMWACCK-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327892 1219378187 /nfs/dbraw/zinc/37/81/87/1219378187.db2.gz HHWAJAPFTJSOAN-CABCVRRESA-N 2 2 359.434 0.212 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2[NH2+]CCF)c1 ZINC001070535860 1219458123 /nfs/dbraw/zinc/45/81/23/1219458123.db2.gz QFJLFOMXXXGBSJ-HGTKMLMNSA-N 2 2 360.437 0.811 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2ccccn2)c1 ZINC001070540632 1219460014 /nfs/dbraw/zinc/46/00/14/1219460014.db2.gz APGLJFUSPKRWIJ-FUHWJXTLSA-N 2 2 365.441 0.865 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070570497 1219474888 /nfs/dbraw/zinc/47/48/88/1219474888.db2.gz SHEXJIZVXBYDKG-DOTOQJQBSA-N 2 2 368.445 0.135 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001070572905 1219475203 /nfs/dbraw/zinc/47/52/03/1219475203.db2.gz QFGFTWKOCUYVMR-RRFJBIMHSA-N 2 2 362.478 0.735 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n[nH]1 ZINC001070572905 1219475205 /nfs/dbraw/zinc/47/52/05/1219475205.db2.gz QFGFTWKOCUYVMR-RRFJBIMHSA-N 2 2 362.478 0.735 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCF)C2)C1 ZINC001070682082 1219523003 /nfs/dbraw/zinc/52/30/03/1219523003.db2.gz JBKNOLNLHFILNW-BFYDXBDKSA-N 2 2 367.469 0.383 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCF)C2)C1 ZINC001070682082 1219523004 /nfs/dbraw/zinc/52/30/04/1219523004.db2.gz JBKNOLNLHFILNW-BFYDXBDKSA-N 2 2 367.469 0.383 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@@H+](C(C)C)C[C@H]32)C1 ZINC001070915120 1219569189 /nfs/dbraw/zinc/56/91/89/1219569189.db2.gz PKILIAGFKYISHX-OAGGEKHMSA-N 2 2 361.446 0.706 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[N@H+](C(C)C)C[C@H]32)C1 ZINC001070915120 1219569191 /nfs/dbraw/zinc/56/91/91/1219569191.db2.gz PKILIAGFKYISHX-OAGGEKHMSA-N 2 2 361.446 0.706 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922977 1219579674 /nfs/dbraw/zinc/57/96/74/1219579674.db2.gz QLAFOKUYBLRLQI-IMJJTQAJSA-N 2 2 361.446 0.477 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922977 1219579677 /nfs/dbraw/zinc/57/96/77/1219579677.db2.gz QLAFOKUYBLRLQI-IMJJTQAJSA-N 2 2 361.446 0.477 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071064014 1219598186 /nfs/dbraw/zinc/59/81/86/1219598186.db2.gz CLFRHEASWBEFSR-APWZRJJASA-N 2 2 363.458 0.611 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001071074611 1219600621 /nfs/dbraw/zinc/60/06/21/1219600621.db2.gz QCNFHMWTDLDRAK-OGWOLHLISA-N 2 2 364.490 0.719 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071086106 1219603095 /nfs/dbraw/zinc/60/30/95/1219603095.db2.gz PEBULMMIISQXJH-LESCRADOSA-N 2 2 362.474 0.808 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001072828852 1219623340 /nfs/dbraw/zinc/62/33/40/1219623340.db2.gz VFGJXEVMSBQSQO-RRFJBIMHSA-N 2 2 367.457 0.827 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001072828852 1219623343 /nfs/dbraw/zinc/62/33/43/1219623343.db2.gz VFGJXEVMSBQSQO-RRFJBIMHSA-N 2 2 367.457 0.827 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001072828852 1219623346 /nfs/dbraw/zinc/62/33/46/1219623346.db2.gz VFGJXEVMSBQSQO-RRFJBIMHSA-N 2 2 367.457 0.827 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001072828852 1219623350 /nfs/dbraw/zinc/62/33/50/1219623350.db2.gz VFGJXEVMSBQSQO-RRFJBIMHSA-N 2 2 367.457 0.827 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cncc(F)c2)C3)O1 ZINC001072849980 1219624993 /nfs/dbraw/zinc/62/49/93/1219624993.db2.gz PFXOZBJANGFELR-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cncc(F)c2)C3)O1 ZINC001072849980 1219624996 /nfs/dbraw/zinc/62/49/96/1219624996.db2.gz PFXOZBJANGFELR-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2cncc(F)c2)C3)O1 ZINC001072849980 1219625001 /nfs/dbraw/zinc/62/50/01/1219625001.db2.gz PFXOZBJANGFELR-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2cncc(F)c2)C3)O1 ZINC001072849980 1219625002 /nfs/dbraw/zinc/62/50/02/1219625002.db2.gz PFXOZBJANGFELR-RHSMWYFYSA-N 2 2 362.449 0.974 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C3)C2)C1=O ZINC001072994821 1219631137 /nfs/dbraw/zinc/63/11/37/1219631137.db2.gz UJQDGJRAVYDOPV-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C3)C2)C1=O ZINC001072994821 1219631140 /nfs/dbraw/zinc/63/11/40/1219631140.db2.gz UJQDGJRAVYDOPV-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP COc1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001073611145 1219672952 /nfs/dbraw/zinc/67/29/52/1219672952.db2.gz OHOGEAHLVVBGLK-VNQPRFMTSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001073611145 1219672954 /nfs/dbraw/zinc/67/29/54/1219672954.db2.gz OHOGEAHLVVBGLK-VNQPRFMTSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001073611145 1219672956 /nfs/dbraw/zinc/67/29/56/1219672956.db2.gz OHOGEAHLVVBGLK-VNQPRFMTSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001073611145 1219672958 /nfs/dbraw/zinc/67/29/58/1219672958.db2.gz OHOGEAHLVVBGLK-VNQPRFMTSA-N 2 2 366.462 0.731 20 0 FCADLP Cc1nocc1C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660363 1219675601 /nfs/dbraw/zinc/67/56/01/1219675601.db2.gz BQBAKAJGENCIMM-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nocc1C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660363 1219675603 /nfs/dbraw/zinc/67/56/03/1219675603.db2.gz BQBAKAJGENCIMM-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nocc1C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660363 1219675604 /nfs/dbraw/zinc/67/56/04/1219675604.db2.gz BQBAKAJGENCIMM-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1nocc1C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660363 1219675606 /nfs/dbraw/zinc/67/56/06/1219675606.db2.gz BQBAKAJGENCIMM-XOKHGSTOSA-N 2 2 366.462 0.409 20 0 FCADLP CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709430 1219717672 /nfs/dbraw/zinc/71/76/72/1219717672.db2.gz CDMDVEQNEQHVFH-CBBWQLFWSA-N 2 2 365.482 0.052 20 0 FCADLP CC(C)n1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709430 1219717675 /nfs/dbraw/zinc/71/76/75/1219717675.db2.gz CDMDVEQNEQHVFH-CBBWQLFWSA-N 2 2 365.482 0.052 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001074895360 1219729715 /nfs/dbraw/zinc/72/97/15/1219729715.db2.gz KVBRHVMNPWLYHW-JJXSEGSLSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398401 1219773024 /nfs/dbraw/zinc/77/30/24/1219773024.db2.gz SGXMZGVRQJACFF-DJIMGWMZSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398401 1219773025 /nfs/dbraw/zinc/77/30/25/1219773025.db2.gz SGXMZGVRQJACFF-DJIMGWMZSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398401 1219773028 /nfs/dbraw/zinc/77/30/28/1219773028.db2.gz SGXMZGVRQJACFF-DJIMGWMZSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398401 1219773029 /nfs/dbraw/zinc/77/30/29/1219773029.db2.gz SGXMZGVRQJACFF-DJIMGWMZSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC2(CC[NH+](CCO)CC2)O1 ZINC001098638942 1219807091 /nfs/dbraw/zinc/80/70/91/1219807091.db2.gz GVKMAZIGZCKGII-ARFHVFGLSA-N 2 2 362.474 0.598 20 0 FCADLP O=C(CN1CC[NH+](CCCCO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000750057336 1219846772 /nfs/dbraw/zinc/84/67/72/1219846772.db2.gz VCNZSESDJNRUTF-UHFFFAOYSA-N 2 2 374.529 0.721 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898712 1219856718 /nfs/dbraw/zinc/85/67/18/1219856718.db2.gz MSMPFKJGCPAXIT-GBYFWLHCSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898712 1219856720 /nfs/dbraw/zinc/85/67/20/1219856720.db2.gz MSMPFKJGCPAXIT-GBYFWLHCSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898712 1219856722 /nfs/dbraw/zinc/85/67/22/1219856722.db2.gz MSMPFKJGCPAXIT-GBYFWLHCSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001098898712 1219856725 /nfs/dbraw/zinc/85/67/25/1219856725.db2.gz MSMPFKJGCPAXIT-GBYFWLHCSA-N 2 2 373.501 0.975 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908602 1219858485 /nfs/dbraw/zinc/85/84/85/1219858485.db2.gz FEMFKTDQANTLPN-DOXZYTNZSA-N 2 2 359.474 0.504 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001098908602 1219858487 /nfs/dbraw/zinc/85/84/87/1219858487.db2.gz FEMFKTDQANTLPN-DOXZYTNZSA-N 2 2 359.474 0.504 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@H]1CCc2c[nH+]cn2C1 ZINC001098910183 1219859565 /nfs/dbraw/zinc/85/95/65/1219859565.db2.gz GZTBLGLHVQTLSX-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@H]1CCc2c[nH+]cn2C1 ZINC001098910183 1219859566 /nfs/dbraw/zinc/85/95/66/1219859566.db2.gz GZTBLGLHVQTLSX-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@H]1CCn2cc[nH+]c2C1 ZINC001098910673 1219859980 /nfs/dbraw/zinc/85/99/80/1219859980.db2.gz LNXCKBHKYPNYGL-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@H]1CCn2cc[nH+]c2C1 ZINC001098910673 1219859983 /nfs/dbraw/zinc/85/99/83/1219859983.db2.gz LNXCKBHKYPNYGL-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935373 1219868518 /nfs/dbraw/zinc/86/85/18/1219868518.db2.gz IBZONKRLZMYWFK-NJSLBKSFSA-N 2 2 368.441 0.725 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098935373 1219868520 /nfs/dbraw/zinc/86/85/20/1219868520.db2.gz IBZONKRLZMYWFK-NJSLBKSFSA-N 2 2 368.441 0.725 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098946083 1219871673 /nfs/dbraw/zinc/87/16/73/1219871673.db2.gz YQVKKOQOUBYPIN-LIRRHRJNSA-N 2 2 359.474 0.479 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098946083 1219871675 /nfs/dbraw/zinc/87/16/75/1219871675.db2.gz YQVKKOQOUBYPIN-LIRRHRJNSA-N 2 2 359.474 0.479 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c(N(C)C)[nH+]1 ZINC000750247641 1219889524 /nfs/dbraw/zinc/88/95/24/1219889524.db2.gz SWSHCECQZAMYID-UHFFFAOYSA-N 2 2 363.462 0.358 20 0 FCADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000750254061 1219890739 /nfs/dbraw/zinc/89/07/39/1219890739.db2.gz JNMGPGRQJVBQDX-UHFFFAOYSA-N 2 2 363.462 0.622 20 0 FCADLP CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001099122089 1219921288 /nfs/dbraw/zinc/92/12/88/1219921288.db2.gz UKTDUKONBTXQQQ-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CCNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001099122089 1219921292 /nfs/dbraw/zinc/92/12/92/1219921292.db2.gz UKTDUKONBTXQQQ-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CCNC(=O)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001099122089 1219921297 /nfs/dbraw/zinc/92/12/97/1219921297.db2.gz UKTDUKONBTXQQQ-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP CCNC(=O)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001099122089 1219921303 /nfs/dbraw/zinc/92/13/03/1219921303.db2.gz UKTDUKONBTXQQQ-OWCLPIDISA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122812 1219921737 /nfs/dbraw/zinc/92/17/37/1219921737.db2.gz GFALPJBQSAQPCP-DEYYWGMASA-N 2 2 359.478 0.338 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122812 1219921740 /nfs/dbraw/zinc/92/17/40/1219921740.db2.gz GFALPJBQSAQPCP-DEYYWGMASA-N 2 2 359.478 0.338 20 0 FCADLP C[C@H](c1nncn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122584 1219921872 /nfs/dbraw/zinc/92/18/72/1219921872.db2.gz AUEUSBJFKPNXDR-VCBZYWHSSA-N 2 2 358.490 0.943 20 0 FCADLP C[C@H](c1nncn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122584 1219921876 /nfs/dbraw/zinc/92/18/76/1219921876.db2.gz AUEUSBJFKPNXDR-VCBZYWHSSA-N 2 2 358.490 0.943 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncn2C)C3)C1 ZINC001099172069 1219939071 /nfs/dbraw/zinc/93/90/71/1219939071.db2.gz QMIMIOJSZMVCSC-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncn2C)C3)C1 ZINC001099172069 1219939074 /nfs/dbraw/zinc/93/90/74/1219939074.db2.gz QMIMIOJSZMVCSC-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cncn2C)C3)C1 ZINC001099172069 1219939077 /nfs/dbraw/zinc/93/90/77/1219939077.db2.gz QMIMIOJSZMVCSC-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cncn2C)C3)C1 ZINC001099172069 1219939081 /nfs/dbraw/zinc/93/90/81/1219939081.db2.gz QMIMIOJSZMVCSC-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099331326 1219968570 /nfs/dbraw/zinc/96/85/70/1219968570.db2.gz ZTQCUKQYDUKPAQ-TZMCWYRMSA-N 2 2 369.347 0.852 20 0 FCADLP Cn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001099473062 1220007945 /nfs/dbraw/zinc/00/79/45/1220007945.db2.gz UMGOTZUKLBVFRL-YJBOKZPZSA-N 2 2 357.462 0.820 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099531110 1220025035 /nfs/dbraw/zinc/02/50/35/1220025035.db2.gz BVMZAXCQFIUQSZ-DOXZYTNZSA-N 2 2 359.474 0.758 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214020 1220230817 /nfs/dbraw/zinc/23/08/17/1220230817.db2.gz JQQSHBOWPXEGBL-BEFAXECRSA-N 2 2 361.490 0.989 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214020 1220230821 /nfs/dbraw/zinc/23/08/21/1220230821.db2.gz JQQSHBOWPXEGBL-BEFAXECRSA-N 2 2 361.490 0.989 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277516 1220262939 /nfs/dbraw/zinc/26/29/39/1220262939.db2.gz LIFATYXWBCELRD-GJYPPUQNSA-N 2 2 363.458 0.420 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277516 1220262945 /nfs/dbraw/zinc/26/29/45/1220262945.db2.gz LIFATYXWBCELRD-GJYPPUQNSA-N 2 2 363.458 0.420 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101297037 1220275341 /nfs/dbraw/zinc/27/53/41/1220275341.db2.gz LKTBKIIUZNLXMH-CLCXKQKWSA-N 2 2 358.442 0.736 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@]2(C)C1 ZINC001101297037 1220275343 /nfs/dbraw/zinc/27/53/43/1220275343.db2.gz LKTBKIIUZNLXMH-CLCXKQKWSA-N 2 2 358.442 0.736 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001101340272 1220294592 /nfs/dbraw/zinc/29/45/92/1220294592.db2.gz DVUFLGFTDXZDQS-BEFAXECRSA-N 2 2 362.474 0.871 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001101340272 1220294594 /nfs/dbraw/zinc/29/45/94/1220294594.db2.gz DVUFLGFTDXZDQS-BEFAXECRSA-N 2 2 362.474 0.871 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)on1 ZINC001101351216 1220297652 /nfs/dbraw/zinc/29/76/52/1220297652.db2.gz YCTSEIIEJXHJRR-KDOFPFPSSA-N 2 2 363.462 0.654 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)on1 ZINC001101351216 1220297654 /nfs/dbraw/zinc/29/76/54/1220297654.db2.gz YCTSEIIEJXHJRR-KDOFPFPSSA-N 2 2 363.462 0.654 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443579 1220348109 /nfs/dbraw/zinc/34/81/09/1220348109.db2.gz KYHATWLOMHDKNO-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443579 1220348114 /nfs/dbraw/zinc/34/81/14/1220348114.db2.gz KYHATWLOMHDKNO-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443579 1220348118 /nfs/dbraw/zinc/34/81/18/1220348118.db2.gz KYHATWLOMHDKNO-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443579 1220348122 /nfs/dbraw/zinc/34/81/22/1220348122.db2.gz KYHATWLOMHDKNO-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473405 1220365903 /nfs/dbraw/zinc/36/59/03/1220365903.db2.gz VFOSASZZTFVMNA-QAPCUYQASA-N 2 2 361.494 0.366 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473405 1220365907 /nfs/dbraw/zinc/36/59/07/1220365907.db2.gz VFOSASZZTFVMNA-QAPCUYQASA-N 2 2 361.494 0.366 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032271 1220471302 /nfs/dbraw/zinc/47/13/02/1220471302.db2.gz YVCQGERDIAPFFX-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102032271 1220471305 /nfs/dbraw/zinc/47/13/05/1220471305.db2.gz YVCQGERDIAPFFX-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032271 1220471307 /nfs/dbraw/zinc/47/13/07/1220471307.db2.gz YVCQGERDIAPFFX-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102032271 1220471310 /nfs/dbraw/zinc/47/13/10/1220471310.db2.gz YVCQGERDIAPFFX-IIAWOOMASA-N 2 2 357.462 0.805 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051815 1220478816 /nfs/dbraw/zinc/47/88/16/1220478816.db2.gz NZPORTPKKDSYFB-HUUCEWRRSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051815 1220478819 /nfs/dbraw/zinc/47/88/19/1220478819.db2.gz NZPORTPKKDSYFB-HUUCEWRRSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051815 1220478822 /nfs/dbraw/zinc/47/88/22/1220478822.db2.gz NZPORTPKKDSYFB-HUUCEWRRSA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051815 1220478825 /nfs/dbraw/zinc/47/88/25/1220478825.db2.gz NZPORTPKKDSYFB-HUUCEWRRSA-N 2 2 363.510 0.752 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102156507 1220527216 /nfs/dbraw/zinc/52/72/16/1220527216.db2.gz XFHXJZJGQFXWMM-TZMCWYRMSA-N 2 2 362.434 0.605 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102156507 1220527220 /nfs/dbraw/zinc/52/72/20/1220527220.db2.gz XFHXJZJGQFXWMM-TZMCWYRMSA-N 2 2 362.434 0.605 20 0 FCADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229037205 1225974148 /nfs/dbraw/zinc/97/41/48/1225974148.db2.gz HTZWNIYBOAMSHZ-MRVWCRGKSA-N 2 2 364.450 0.061 20 0 FCADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229037205 1225974165 /nfs/dbraw/zinc/97/41/65/1225974165.db2.gz HTZWNIYBOAMSHZ-MRVWCRGKSA-N 2 2 364.450 0.061 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177070 1220536879 /nfs/dbraw/zinc/53/68/79/1220536879.db2.gz HNPCWCQPTLTZHY-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177070 1220536884 /nfs/dbraw/zinc/53/68/84/1220536884.db2.gz HNPCWCQPTLTZHY-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205101 1220550081 /nfs/dbraw/zinc/55/00/81/1220550081.db2.gz LDHNYQZAXGWTBZ-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205101 1220550088 /nfs/dbraw/zinc/55/00/88/1220550088.db2.gz LDHNYQZAXGWTBZ-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102382219 1220602580 /nfs/dbraw/zinc/60/25/80/1220602580.db2.gz UKWRVNUTXUUNNS-OAGGEKHMSA-N 2 2 365.526 0.998 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102382219 1220602581 /nfs/dbraw/zinc/60/25/81/1220602581.db2.gz UKWRVNUTXUUNNS-OAGGEKHMSA-N 2 2 365.526 0.998 20 0 FCADLP Cc1cc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC001102425268 1220620741 /nfs/dbraw/zinc/62/07/41/1220620741.db2.gz QMCHIYJGCKGFFW-IAGOWNOFSA-N 2 2 360.506 0.706 20 0 FCADLP Cc1cc(N2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)ncn1 ZINC001102425268 1220620745 /nfs/dbraw/zinc/62/07/45/1220620745.db2.gz QMCHIYJGCKGFFW-IAGOWNOFSA-N 2 2 360.506 0.706 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102454925 1220630065 /nfs/dbraw/zinc/63/00/65/1220630065.db2.gz YUXZVGVQJHCYMP-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001102454925 1220630072 /nfs/dbraw/zinc/63/00/72/1220630072.db2.gz YUXZVGVQJHCYMP-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467315 1220636967 /nfs/dbraw/zinc/63/69/67/1220636967.db2.gz MOZLSVYAICAVIW-HZPDHXFCSA-N 2 2 364.494 0.204 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102467315 1220636969 /nfs/dbraw/zinc/63/69/69/1220636969.db2.gz MOZLSVYAICAVIW-HZPDHXFCSA-N 2 2 364.494 0.204 20 0 FCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)[nH]1 ZINC001102468568 1220638433 /nfs/dbraw/zinc/63/84/33/1220638433.db2.gz ORRKZWLGWGAGAX-IIAWOOMASA-N 2 2 364.494 0.581 20 0 FCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)[nH]1 ZINC001102468568 1220638437 /nfs/dbraw/zinc/63/84/37/1220638437.db2.gz ORRKZWLGWGAGAX-IIAWOOMASA-N 2 2 364.494 0.581 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C)C(C)C ZINC001102472843 1220642493 /nfs/dbraw/zinc/64/24/93/1220642493.db2.gz YGCAJISEQPOADD-INMHGKMJSA-N 2 2 365.526 0.761 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C)C(C)C ZINC001102472843 1220642496 /nfs/dbraw/zinc/64/24/96/1220642496.db2.gz YGCAJISEQPOADD-INMHGKMJSA-N 2 2 365.526 0.761 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513400 1220672331 /nfs/dbraw/zinc/67/23/31/1220672331.db2.gz ITNVMUAUDIXGDC-OWCLPIDISA-N 2 2 363.506 0.902 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513400 1220672333 /nfs/dbraw/zinc/67/23/33/1220672333.db2.gz ITNVMUAUDIXGDC-OWCLPIDISA-N 2 2 363.506 0.902 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514659 1220673388 /nfs/dbraw/zinc/67/33/88/1220673388.db2.gz HWGXLSWNQFLEJE-JFIYKMOQSA-N 2 2 366.506 0.680 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514659 1220673391 /nfs/dbraw/zinc/67/33/91/1220673391.db2.gz HWGXLSWNQFLEJE-JFIYKMOQSA-N 2 2 366.506 0.680 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513938 1220673549 /nfs/dbraw/zinc/67/35/49/1220673549.db2.gz HDEASYMQNHHLDM-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513938 1220673551 /nfs/dbraw/zinc/67/35/51/1220673551.db2.gz HDEASYMQNHHLDM-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513938 1220673554 /nfs/dbraw/zinc/67/35/54/1220673554.db2.gz HDEASYMQNHHLDM-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513938 1220673556 /nfs/dbraw/zinc/67/35/56/1220673556.db2.gz HDEASYMQNHHLDM-BZUAXINKSA-N 2 2 363.510 0.780 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102514969 1220674929 /nfs/dbraw/zinc/67/49/29/1220674929.db2.gz WXBQOXPWQSHRDZ-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102514969 1220674932 /nfs/dbraw/zinc/67/49/32/1220674932.db2.gz WXBQOXPWQSHRDZ-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538561 1220687672 /nfs/dbraw/zinc/68/76/72/1220687672.db2.gz HMNABEPOPDJEKF-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538561 1220687673 /nfs/dbraw/zinc/68/76/73/1220687673.db2.gz HMNABEPOPDJEKF-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538857 1220687763 /nfs/dbraw/zinc/68/77/63/1220687763.db2.gz YLQPZSYRYBJRAQ-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538857 1220687764 /nfs/dbraw/zinc/68/77/64/1220687764.db2.gz YLQPZSYRYBJRAQ-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103009928 1220819838 /nfs/dbraw/zinc/81/98/38/1220819838.db2.gz RSOVDWDBAOVQFG-QLFBSQMISA-N 2 2 361.490 0.710 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103009928 1220819839 /nfs/dbraw/zinc/81/98/39/1220819839.db2.gz RSOVDWDBAOVQFG-QLFBSQMISA-N 2 2 361.490 0.710 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103050079 1220824133 /nfs/dbraw/zinc/82/41/33/1220824133.db2.gz RIXQPIXPIXECMB-KFWWJZLASA-N 2 2 369.489 0.464 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103050079 1220824135 /nfs/dbraw/zinc/82/41/35/1220824135.db2.gz RIXQPIXPIXECMB-KFWWJZLASA-N 2 2 369.489 0.464 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159331 1220841601 /nfs/dbraw/zinc/84/16/01/1220841601.db2.gz DPJISNKUWORUNG-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001103159331 1220841602 /nfs/dbraw/zinc/84/16/02/1220841602.db2.gz DPJISNKUWORUNG-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001103162914 1220842351 /nfs/dbraw/zinc/84/23/51/1220842351.db2.gz PHFZWMWSXCLNBX-ZACQAIPSSA-N 2 2 371.489 0.811 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001103162914 1220842353 /nfs/dbraw/zinc/84/23/53/1220842353.db2.gz PHFZWMWSXCLNBX-ZACQAIPSSA-N 2 2 371.489 0.811 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258551 1220857521 /nfs/dbraw/zinc/85/75/21/1220857521.db2.gz FQDNVNIOZKMCBL-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258551 1220857526 /nfs/dbraw/zinc/85/75/26/1220857526.db2.gz FQDNVNIOZKMCBL-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260480 1220857548 /nfs/dbraw/zinc/85/75/48/1220857548.db2.gz XXLHDUQLMCHFLA-OWCLPIDISA-N 2 2 363.506 0.904 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260480 1220857549 /nfs/dbraw/zinc/85/75/49/1220857549.db2.gz XXLHDUQLMCHFLA-OWCLPIDISA-N 2 2 363.506 0.904 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)on1 ZINC001229301442 1225998545 /nfs/dbraw/zinc/99/85/45/1225998545.db2.gz RCBJHXYMXSUCOW-CHWSQXEVSA-N 2 2 360.418 0.904 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001103472531 1220887916 /nfs/dbraw/zinc/88/79/16/1220887916.db2.gz YPXVFCJVNJCEPU-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001103472531 1220887917 /nfs/dbraw/zinc/88/79/17/1220887917.db2.gz YPXVFCJVNJCEPU-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643799 1220926234 /nfs/dbraw/zinc/92/62/34/1220926234.db2.gz QRQGANCLUOMIIZ-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643799 1220926237 /nfs/dbraw/zinc/92/62/37/1220926237.db2.gz QRQGANCLUOMIIZ-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688328 1220939971 /nfs/dbraw/zinc/93/99/71/1220939971.db2.gz XKMSTRDGEHZOCE-INMHGKMJSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688328 1220939975 /nfs/dbraw/zinc/93/99/75/1220939975.db2.gz XKMSTRDGEHZOCE-INMHGKMJSA-N 2 2 361.490 0.706 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742782 1220960084 /nfs/dbraw/zinc/96/00/84/1220960084.db2.gz VUOVCBALRQEGNY-BZUAXINKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742782 1220960088 /nfs/dbraw/zinc/96/00/88/1220960088.db2.gz VUOVCBALRQEGNY-BZUAXINKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742782 1220960092 /nfs/dbraw/zinc/96/00/92/1220960092.db2.gz VUOVCBALRQEGNY-BZUAXINKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742782 1220960096 /nfs/dbraw/zinc/96/00/96/1220960096.db2.gz VUOVCBALRQEGNY-BZUAXINKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742783 1220960580 /nfs/dbraw/zinc/96/05/80/1220960580.db2.gz VUOVCBALRQEGNY-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742783 1220960594 /nfs/dbraw/zinc/96/05/94/1220960594.db2.gz VUOVCBALRQEGNY-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742783 1220960598 /nfs/dbraw/zinc/96/05/98/1220960598.db2.gz VUOVCBALRQEGNY-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@H]2C)C1 ZINC001103742783 1220960602 /nfs/dbraw/zinc/96/06/02/1220960602.db2.gz VUOVCBALRQEGNY-OAGGEKHMSA-N 2 2 364.494 0.110 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779064 1220971884 /nfs/dbraw/zinc/97/18/84/1220971884.db2.gz KFWDAILQYVNRDO-IXDOHACOSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779064 1220971888 /nfs/dbraw/zinc/97/18/88/1220971888.db2.gz KFWDAILQYVNRDO-IXDOHACOSA-N 2 2 361.490 0.874 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001111789971 1221110843 /nfs/dbraw/zinc/11/08/43/1221110843.db2.gz BKWWYHCTISSISU-DOXZYTNZSA-N 2 2 359.474 0.552 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001111789971 1221110846 /nfs/dbraw/zinc/11/08/46/1221110846.db2.gz BKWWYHCTISSISU-DOXZYTNZSA-N 2 2 359.474 0.552 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)no1 ZINC001111794917 1221112840 /nfs/dbraw/zinc/11/28/40/1221112840.db2.gz QKIUEQZWTNZIIA-KSSFIOAISA-N 2 2 366.462 0.329 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)no1 ZINC001111794917 1221112844 /nfs/dbraw/zinc/11/28/44/1221112844.db2.gz QKIUEQZWTNZIIA-KSSFIOAISA-N 2 2 366.462 0.329 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111826703 1221128051 /nfs/dbraw/zinc/12/80/51/1221128051.db2.gz VUNIPKHRWURLQW-YJBOKZPZSA-N 2 2 360.462 0.269 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001111826703 1221128054 /nfs/dbraw/zinc/12/80/54/1221128054.db2.gz VUNIPKHRWURLQW-YJBOKZPZSA-N 2 2 360.462 0.269 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1cnccn1)C2 ZINC001111861433 1221140756 /nfs/dbraw/zinc/14/07/56/1221140756.db2.gz MXXMHMOFJQQGDX-KSSFIOAISA-N 2 2 360.462 0.338 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1cnccn1)C2 ZINC001111861433 1221140757 /nfs/dbraw/zinc/14/07/57/1221140757.db2.gz MXXMHMOFJQQGDX-KSSFIOAISA-N 2 2 360.462 0.338 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)nc1 ZINC001111937991 1221178841 /nfs/dbraw/zinc/17/88/41/1221178841.db2.gz GKSRQJDPLUIZBH-LPHOPBHVSA-N 2 2 361.490 0.834 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)nc1 ZINC001111937991 1221178847 /nfs/dbraw/zinc/17/88/47/1221178847.db2.gz GKSRQJDPLUIZBH-LPHOPBHVSA-N 2 2 361.490 0.834 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938309 1221180066 /nfs/dbraw/zinc/18/00/66/1221180066.db2.gz VRNBPRZPWRZRNG-KXBFYZLASA-N 2 2 361.490 0.706 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938309 1221180069 /nfs/dbraw/zinc/18/00/69/1221180069.db2.gz VRNBPRZPWRZRNG-KXBFYZLASA-N 2 2 361.490 0.706 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC001111961203 1221186594 /nfs/dbraw/zinc/18/65/94/1221186594.db2.gz MTBDTIAMKGUMKX-QOKNQOGYSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001111961203 1221186598 /nfs/dbraw/zinc/18/65/98/1221186598.db2.gz MTBDTIAMKGUMKX-QOKNQOGYSA-N 2 2 359.474 0.554 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111963969 1221188098 /nfs/dbraw/zinc/18/80/98/1221188098.db2.gz CSNVPVPRXBQPOF-DOXZYTNZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001111963969 1221188100 /nfs/dbraw/zinc/18/81/00/1221188100.db2.gz CSNVPVPRXBQPOF-DOXZYTNZSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111984755 1221193958 /nfs/dbraw/zinc/19/39/58/1221193958.db2.gz NIQVCPXPUSBKLF-LPHOPBHVSA-N 2 2 359.474 0.688 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111984755 1221193961 /nfs/dbraw/zinc/19/39/61/1221193961.db2.gz NIQVCPXPUSBKLF-LPHOPBHVSA-N 2 2 359.474 0.688 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111996380 1221197467 /nfs/dbraw/zinc/19/74/67/1221197467.db2.gz XLJIYGOJCRSICU-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111996380 1221197470 /nfs/dbraw/zinc/19/74/70/1221197470.db2.gz XLJIYGOJCRSICU-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001111996380 1221197474 /nfs/dbraw/zinc/19/74/74/1221197474.db2.gz XLJIYGOJCRSICU-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001111996380 1221197476 /nfs/dbraw/zinc/19/74/76/1221197476.db2.gz XLJIYGOJCRSICU-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2)N1CCC1 ZINC001112331176 1221239668 /nfs/dbraw/zinc/23/96/68/1221239668.db2.gz FFIBAVIRBAFWTA-KXBFYZLASA-N 2 2 359.474 0.793 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001112424046 1221256761 /nfs/dbraw/zinc/25/67/61/1221256761.db2.gz NHAFHHKBRLCXBF-KXBFYZLASA-N 2 2 361.490 0.891 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(N4CN=NC4=O)CC3)cn2)CC1 ZINC000798182969 1221281941 /nfs/dbraw/zinc/28/19/41/1221281941.db2.gz LBHIRKRLQSMLAL-UHFFFAOYSA-N 2 2 358.450 0.363 20 0 FCADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001115736215 1221320697 /nfs/dbraw/zinc/32/06/97/1221320697.db2.gz LIKLQCTWHDIETD-ARFHVFGLSA-N 2 2 364.490 0.940 20 0 FCADLP NC(=O)COC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001116328142 1221353963 /nfs/dbraw/zinc/35/39/63/1221353963.db2.gz CQMCQPAJKNGEQN-UHFFFAOYSA-N 2 2 374.485 0.297 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933656 1226040174 /nfs/dbraw/zinc/04/01/74/1226040174.db2.gz SXFJVLQDFOEHKY-HUUCEWRRSA-N 2 2 365.478 0.430 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001117853766 1221631396 /nfs/dbraw/zinc/63/13/96/1221631396.db2.gz AIPXYEHTPZBCLC-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001117853766 1221631403 /nfs/dbraw/zinc/63/14/03/1221631403.db2.gz AIPXYEHTPZBCLC-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858446 1221633318 /nfs/dbraw/zinc/63/33/18/1221633318.db2.gz MGFBCGVZTALPFI-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP CO[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858446 1221633319 /nfs/dbraw/zinc/63/33/19/1221633319.db2.gz MGFBCGVZTALPFI-IAGOWNOFSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001230149249 1226057768 /nfs/dbraw/zinc/05/77/68/1226057768.db2.gz BDTOZKYZPYQPHC-DJIMGWMZSA-N 2 2 364.494 0.300 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001117981014 1221675035 /nfs/dbraw/zinc/67/50/35/1221675035.db2.gz PFKZXDSRNOETPD-UHFFFAOYSA-N 2 2 353.426 0.505 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001118289184 1221751716 /nfs/dbraw/zinc/75/17/16/1221751716.db2.gz VPLUJBGIFZDEIM-ZFWWWQNUSA-N 2 2 360.466 0.751 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001118289184 1221751723 /nfs/dbraw/zinc/75/17/23/1221751723.db2.gz VPLUJBGIFZDEIM-ZFWWWQNUSA-N 2 2 360.466 0.751 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230347485 1226075273 /nfs/dbraw/zinc/07/52/73/1226075273.db2.gz ATDTYSXDWXDNMV-IAGOWNOFSA-N 2 2 371.489 0.859 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230347485 1226075283 /nfs/dbraw/zinc/07/52/83/1226075283.db2.gz ATDTYSXDWXDNMV-IAGOWNOFSA-N 2 2 371.489 0.859 20 0 FCADLP COC(=O)C1CCN(C(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001119260727 1221894650 /nfs/dbraw/zinc/89/46/50/1221894650.db2.gz JDRCBRDSCIFZRG-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC(N4CC[NH+](C)CC4)C3)cc2)CC1 ZINC001119568994 1221934395 /nfs/dbraw/zinc/93/43/95/1221934395.db2.gz XPRGNTVIPWLNNG-UHFFFAOYSA-N 2 2 371.529 0.506 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)CC1 ZINC001121411090 1222175619 /nfs/dbraw/zinc/17/56/19/1222175619.db2.gz JMLWKYDWTWOANT-CJNGLKHVSA-N 2 2 374.493 0.879 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1(n3cccn3)CC[NH2+]CC1)C2 ZINC001122044011 1222236500 /nfs/dbraw/zinc/23/65/00/1222236500.db2.gz MTVKYDQADPCHLL-OAHLLOKOSA-N 2 2 372.473 0.133 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3[nH]nc4c3CCC4)CC[C@@H]2C1 ZINC001232427046 1226152048 /nfs/dbraw/zinc/15/20/48/1226152048.db2.gz MUBSOLFZTBBIPR-RDTXWAMCSA-N 2 2 361.490 0.509 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3[nH]nc4c3CCC4)CC[C@@H]2C1 ZINC001232427046 1226152052 /nfs/dbraw/zinc/15/20/52/1226152052.db2.gz MUBSOLFZTBBIPR-RDTXWAMCSA-N 2 2 361.490 0.509 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3[nH]nc4c3CCC4)CC[C@@H]2C1 ZINC001232427046 1226152055 /nfs/dbraw/zinc/15/20/55/1226152055.db2.gz MUBSOLFZTBBIPR-RDTXWAMCSA-N 2 2 361.490 0.509 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3[nH]nc4c3CCC4)CC[C@@H]2C1 ZINC001232427046 1226152059 /nfs/dbraw/zinc/15/20/59/1226152059.db2.gz MUBSOLFZTBBIPR-RDTXWAMCSA-N 2 2 361.490 0.509 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000841764185 1222829032 /nfs/dbraw/zinc/82/90/32/1222829032.db2.gz FBWGBHQCRZVAMT-CQSZACIVSA-N 2 2 363.462 0.704 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000842207506 1222841764 /nfs/dbraw/zinc/84/17/64/1222841764.db2.gz DTJFDSJOWWKUCA-QGZVFWFLSA-N 2 2 367.453 0.594 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228103 1222843058 /nfs/dbraw/zinc/84/30/58/1222843058.db2.gz BUFUHGLLCFLZIJ-QGZVFWFLSA-N 2 2 369.469 0.944 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000842476320 1222848136 /nfs/dbraw/zinc/84/81/36/1222848136.db2.gz LRSQMNUROKJITO-NFAWXSAZSA-N 2 2 365.478 0.639 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CCOCC3)CC2)C1=O ZINC001143012006 1222857178 /nfs/dbraw/zinc/85/71/78/1222857178.db2.gz MQASNNSTIZUPHN-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CCOCC3)CC2)C1=O ZINC001143012006 1222857179 /nfs/dbraw/zinc/85/71/79/1222857179.db2.gz MQASNNSTIZUPHN-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843209940 1222860808 /nfs/dbraw/zinc/86/08/08/1222860808.db2.gz QJWPMERZXKOXOC-AWEZNQCLSA-N 2 2 356.430 0.814 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC12CCOCC2 ZINC000843388148 1222875064 /nfs/dbraw/zinc/87/50/64/1222875064.db2.gz KZQLFIVIMDVIEL-GFCCVEGCSA-N 2 2 359.430 0.894 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC12CCOCC2 ZINC000843388148 1222875069 /nfs/dbraw/zinc/87/50/69/1222875069.db2.gz KZQLFIVIMDVIEL-GFCCVEGCSA-N 2 2 359.430 0.894 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143306612 1222876981 /nfs/dbraw/zinc/87/69/81/1222876981.db2.gz FZFDHSLBLGXOEX-QFBILLFUSA-N 2 2 367.490 0.583 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143306611 1222877074 /nfs/dbraw/zinc/87/70/74/1222877074.db2.gz FZFDHSLBLGXOEX-LPHOPBHVSA-N 2 2 367.490 0.583 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC4(C3)C[NH+](C)C4)cn21 ZINC001150401740 1222902367 /nfs/dbraw/zinc/90/23/67/1222902367.db2.gz NMZPCUIPWWSMQW-OAHLLOKOSA-N 2 2 369.473 0.035 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC4(C3)C[NH+](C)C4)cn21 ZINC001150401740 1222902370 /nfs/dbraw/zinc/90/23/70/1222902370.db2.gz NMZPCUIPWWSMQW-OAHLLOKOSA-N 2 2 369.473 0.035 20 0 FCADLP COCCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+](Cc2cnon2)CC1 ZINC001151138286 1222917380 /nfs/dbraw/zinc/91/73/80/1222917380.db2.gz YZGDVHIHBQDZRS-GDBMZVCRSA-N 2 2 365.478 0.897 20 0 FCADLP COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+](Cc2cnon2)CC1 ZINC001151138286 1222917387 /nfs/dbraw/zinc/91/73/87/1222917387.db2.gz YZGDVHIHBQDZRS-GDBMZVCRSA-N 2 2 365.478 0.897 20 0 FCADLP Cn1c[nH+]cc1CN1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001204381953 1222973713 /nfs/dbraw/zinc/97/37/13/1222973713.db2.gz DYZFKETVGMEQDC-KRWDZBQOSA-N 2 2 359.478 0.760 20 0 FCADLP c1ccc(N2CC[NH+](C3CN(c4cc(C5C[NH2+]C5)ncn4)C3)CC2)nc1 ZINC001154663834 1223015383 /nfs/dbraw/zinc/01/53/83/1223015383.db2.gz ONPLFLQMVJNKKG-UHFFFAOYSA-N 2 2 351.458 0.569 20 0 FCADLP CCOC(=O)[C@]12CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001154686853 1223016409 /nfs/dbraw/zinc/01/64/09/1223016409.db2.gz HOMNPMQFGJDMKQ-OXQOHEQNSA-N 3 2 373.501 0.812 20 0 FCADLP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610380 1223079325 /nfs/dbraw/zinc/07/93/25/1223079325.db2.gz ZRTOEBVDGBRWPL-UZCSHQTLSA-N 2 2 357.454 0.995 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001158007226 1223086263 /nfs/dbraw/zinc/08/62/63/1223086263.db2.gz RTEMHZWFVMPBHA-WBVHZDCISA-N 2 2 356.426 0.468 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001158006394 1223086328 /nfs/dbraw/zinc/08/63/28/1223086328.db2.gz LFGHSJSCCFARKF-KNBMTAEXSA-N 2 2 372.469 0.076 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001158000254 1223086570 /nfs/dbraw/zinc/08/65/70/1223086570.db2.gz XASVSADZLQEASS-CVEARBPZSA-N 2 2 362.474 0.246 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001158000456 1223086752 /nfs/dbraw/zinc/08/67/52/1223086752.db2.gz XPCAUYKQVYTSTM-YOEHRIQHSA-N 2 2 358.442 0.791 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001158007525 1223086795 /nfs/dbraw/zinc/08/67/95/1223086795.db2.gz ULFCUOVKLIUIRQ-RDJZCZTQSA-N 2 2 356.426 0.468 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)C1 ZINC001158258771 1223092218 /nfs/dbraw/zinc/09/22/18/1223092218.db2.gz ITUASXCTWNMLMV-INIZCTEOSA-N 2 2 359.474 0.556 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(C(=O)N4CCOCC4)cn3)CC2)C1 ZINC001158258771 1223092222 /nfs/dbraw/zinc/09/22/22/1223092222.db2.gz ITUASXCTWNMLMV-INIZCTEOSA-N 2 2 359.474 0.556 20 0 FCADLP [NH3+][C@H](CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C(=O)OCc1ccccc1 ZINC001158567138 1223102629 /nfs/dbraw/zinc/10/26/29/1223102629.db2.gz DTTAHAQLSJLLCF-HRCADAONSA-N 2 2 363.433 0.983 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC001158601051 1223102972 /nfs/dbraw/zinc/10/29/72/1223102972.db2.gz LDYZQMDXELDWHM-VBNZEHGJSA-N 2 2 355.442 0.855 20 0 FCADLP O=C(N1CCc2onc(Cn3cc[nH+]c3)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158822034 1223110351 /nfs/dbraw/zinc/11/03/51/1223110351.db2.gz SHJGACWUVIFLLQ-FZKQIMNGSA-N 3 2 356.430 0.003 20 0 FCADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821218 1223110531 /nfs/dbraw/zinc/11/05/31/1223110531.db2.gz DDYNPKHAUDIUIZ-HNNXBMFYSA-N 3 2 360.462 0.863 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891372 1223112344 /nfs/dbraw/zinc/11/23/44/1223112344.db2.gz YBQBFGBPSLWDRB-XUWXXGDYSA-N 3 2 374.420 0.368 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158891371 1223112467 /nfs/dbraw/zinc/11/24/67/1223112467.db2.gz YBQBFGBPSLWDRB-QIIPPGSGSA-N 3 2 374.420 0.368 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)C1 ZINC001158924875 1223112769 /nfs/dbraw/zinc/11/27/69/1223112769.db2.gz BCHASOZNSSTEJG-BXWFABGCSA-N 2 2 360.433 0.466 20 0 FCADLP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)CC2 ZINC001158941006 1223113424 /nfs/dbraw/zinc/11/34/24/1223113424.db2.gz DLBRPLKVRQLHLP-CYBMUJFWSA-N 2 2 360.418 0.333 20 0 FCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001159074421 1223116618 /nfs/dbraw/zinc/11/66/18/1223116618.db2.gz BDKYROHBBZASGU-BXWFABGCSA-N 2 2 369.506 0.875 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001159075191 1223116646 /nfs/dbraw/zinc/11/66/46/1223116646.db2.gz DSQFXLKDZXVKQI-XSWJXKHESA-N 2 2 371.453 0.331 20 0 FCADLP [NH3+]C1(C(=O)N2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)CC[NH2+]CC1 ZINC001159211731 1223120507 /nfs/dbraw/zinc/12/05/07/1223120507.db2.gz MVFONHVFNAAQJP-RCCFBDPRSA-N 2 2 374.485 0.828 20 0 FCADLP N[C@@]1(C(=O)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)CC[NH2+]C1 ZINC001159283041 1223123277 /nfs/dbraw/zinc/12/32/77/1223123277.db2.gz MHNGHRFPAOPHNL-KSSFIOAISA-N 2 2 356.430 0.006 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)C1 ZINC001159317231 1223123908 /nfs/dbraw/zinc/12/39/08/1223123908.db2.gz SQWOLUUOGOGGSW-YOEHRIQHSA-N 2 2 355.417 0.899 20 0 FCADLP COC(=O)[C@@H]([NH3+])CC(=O)N(c1cccc(C)c1)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001159337965 1223124673 /nfs/dbraw/zinc/12/46/73/1223124673.db2.gz CJGWGWVZEFEJKT-TXPKVOOTSA-N 2 2 361.442 0.739 20 0 FCADLP [NH3+][C@H](C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)c1ccccc1 ZINC001159514300 1223128881 /nfs/dbraw/zinc/12/88/81/1223128881.db2.gz AORZTRIVLCYEBX-KRWDZBQOSA-N 2 2 351.414 0.955 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)CC[C@@H]21 ZINC001159534846 1223129377 /nfs/dbraw/zinc/12/93/77/1223129377.db2.gz RYFQALWDBSBKRO-SQNIBIBYSA-N 3 2 374.533 0.664 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)CC[C@@H]21 ZINC001159534846 1223129380 /nfs/dbraw/zinc/12/93/80/1223129380.db2.gz RYFQALWDBSBKRO-SQNIBIBYSA-N 3 2 374.533 0.664 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549816 1223129597 /nfs/dbraw/zinc/12/95/97/1223129597.db2.gz RABPBHOCDIVTRA-INIZCTEOSA-N 3 2 371.489 0.561 20 0 FCADLP O=C([C@@H]1CCCC[NH2+]1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159637564 1223131698 /nfs/dbraw/zinc/13/16/98/1223131698.db2.gz ZOVAKLUBPWPBGZ-HNNXBMFYSA-N 2 2 356.430 0.363 20 0 FCADLP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@H]([NH3+])Cc4c[nH+]c[nH]4)C[C@@H]32)C1=O ZINC001159687665 1223134098 /nfs/dbraw/zinc/13/40/98/1223134098.db2.gz FGEDPPAPRFZWFO-MJXUCMMTSA-N 2 2 358.446 0.167 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)CC[NH2+]CC1 ZINC001159700636 1223134656 /nfs/dbraw/zinc/13/46/56/1223134656.db2.gz SOTSJONQQREDCQ-INIZCTEOSA-N 2 2 356.470 0.590 20 0 FCADLP CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001159846154 1223137485 /nfs/dbraw/zinc/13/74/85/1223137485.db2.gz ULGRSIZJBSLKMT-OAHLLOKOSA-N 2 2 366.506 0.237 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]12 ZINC001159990089 1223142016 /nfs/dbraw/zinc/14/20/16/1223142016.db2.gz GHLYSLLVZHZANH-UYAOXDASSA-N 2 2 370.497 0.858 20 0 FCADLP [NH3+]C1(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)CC[NH2+]CC1 ZINC001160049672 1223143445 /nfs/dbraw/zinc/14/34/45/1223143445.db2.gz KJTQOCQZBXIVAN-SJLPKXTDSA-N 2 2 360.458 0.154 20 0 FCADLP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001160228203 1223151064 /nfs/dbraw/zinc/15/10/64/1223151064.db2.gz PRCNIKMLXJDDNF-BXBUPLCLSA-N 2 2 357.458 0.244 20 0 FCADLP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)[C@@H]2C1 ZINC001160300275 1223153745 /nfs/dbraw/zinc/15/37/45/1223153745.db2.gz NQHLJPQQDSISQL-BSDSXHPESA-N 2 2 374.485 0.789 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)C1 ZINC001160312196 1223154234 /nfs/dbraw/zinc/15/42/34/1223154234.db2.gz RQRYONYSBBKBFZ-PTAUBWNISA-N 2 2 372.425 0.060 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001160323182 1223155316 /nfs/dbraw/zinc/15/53/16/1223155316.db2.gz JCYUSTJUYJKOIS-CUYVQJCZSA-N 2 2 374.489 0.445 20 0 FCADLP CCOC(=O)C1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[NH2+]C1 ZINC001160460619 1223160652 /nfs/dbraw/zinc/16/06/52/1223160652.db2.gz AZCUCDZJBWXSBJ-UHFFFAOYSA-N 2 2 361.442 0.362 20 0 FCADLP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160459956 1223160764 /nfs/dbraw/zinc/16/07/64/1223160764.db2.gz SZVOIRAKYLIKFW-SFHVURJKSA-N 2 2 357.458 0.513 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC001160478875 1223161520 /nfs/dbraw/zinc/16/15/20/1223161520.db2.gz BZNJDOQVMWWATP-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC001160478875 1223161521 /nfs/dbraw/zinc/16/15/21/1223161521.db2.gz BZNJDOQVMWWATP-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](Cc3cn(C)nn3)CC2)O1 ZINC001160478875 1223161522 /nfs/dbraw/zinc/16/15/22/1223161522.db2.gz BZNJDOQVMWWATP-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](Cc3cn(C)nn3)CC2)O1 ZINC001160478875 1223161523 /nfs/dbraw/zinc/16/15/23/1223161523.db2.gz BZNJDOQVMWWATP-RHSMWYFYSA-N 2 2 362.478 0.173 20 0 FCADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566713 1223164500 /nfs/dbraw/zinc/16/45/00/1223164500.db2.gz YCQIPHOZBPUAGI-INIZCTEOSA-N 2 2 370.457 0.157 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH2+]1 ZINC001160780454 1223172811 /nfs/dbraw/zinc/17/28/11/1223172811.db2.gz RWAKZRAEWLTYQA-PYQAKABTSA-N 2 2 357.454 0.527 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160906136 1223180412 /nfs/dbraw/zinc/18/04/12/1223180412.db2.gz ZQJHZWHTORVKNP-OAHLLOKOSA-N 2 2 367.413 0.248 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)c1ccccc1 ZINC001160905545 1223180612 /nfs/dbraw/zinc/18/06/12/1223180612.db2.gz PSQUTBKOKPPDPN-SVFBPWRDSA-N 3 2 372.513 0.717 20 0 FCADLP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160940001 1223181135 /nfs/dbraw/zinc/18/11/35/1223181135.db2.gz JPCNWMMKEZNFFD-PXNSSMCTSA-N 2 2 356.470 0.242 20 0 FCADLP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160939999 1223181186 /nfs/dbraw/zinc/18/11/86/1223181186.db2.gz JPCNWMMKEZNFFD-FXAWDEMLSA-N 2 2 356.470 0.242 20 0 FCADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001161145253 1223187032 /nfs/dbraw/zinc/18/70/32/1223187032.db2.gz ABVSXAZSJIQSMN-ROUUACIJSA-N 2 2 374.485 0.166 20 0 FCADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001161145253 1223187034 /nfs/dbraw/zinc/18/70/34/1223187034.db2.gz ABVSXAZSJIQSMN-ROUUACIJSA-N 2 2 374.485 0.166 20 0 FCADLP O=C(Nc1ccccc1)NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161246863 1223191682 /nfs/dbraw/zinc/19/16/82/1223191682.db2.gz QUQSWDYTXKIIQM-KUHUBIRLSA-N 2 2 357.458 0.751 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161316497 1223195903 /nfs/dbraw/zinc/19/59/03/1223195903.db2.gz ILVDJFLNICEANV-INIZCTEOSA-N 2 2 359.474 0.541 20 0 FCADLP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380834 1223197785 /nfs/dbraw/zinc/19/77/85/1223197785.db2.gz VYNKJAOKYJRWNC-APWZRJJASA-N 3 2 358.486 0.906 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3O[C@@H]3CC[NH2+]C3)C2)CC1 ZINC001161381892 1223197814 /nfs/dbraw/zinc/19/78/14/1223197814.db2.gz QQUZROOFRVBPRV-JKSUJKDBSA-N 3 2 359.474 0.460 20 0 FCADLP [NH3+][C@@H](C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1)C1CCC2(CC1)OCCO2 ZINC001161380788 1223198114 /nfs/dbraw/zinc/19/81/14/1223198114.db2.gz VNRYHWDNAKWISX-DLBZAZTESA-N 3 2 366.506 0.271 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ncc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163095870 1223225445 /nfs/dbraw/zinc/22/54/45/1223225445.db2.gz NBEREJXBACKENX-MRXNPFEDSA-N 2 2 362.474 0.973 20 0 FCADLP C[NH+]1CCN(c2ccc(N3CC([C@H]([NH3+])C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001163117074 1223226191 /nfs/dbraw/zinc/22/61/91/1223226191.db2.gz AVMKAPBARZQTPR-INIZCTEOSA-N 2 2 362.478 0.334 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc[nH+]1 ZINC001164627680 1223240742 /nfs/dbraw/zinc/24/07/42/1223240742.db2.gz VACWPKWVUYJNMX-SJORKVTESA-N 2 2 366.469 0.952 20 0 FCADLP NC(=O)[C@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070856 1223241182 /nfs/dbraw/zinc/24/11/82/1223241182.db2.gz BIHPRAUNVVZSFL-GOSISDBHSA-N 2 2 351.454 0.903 20 0 FCADLP COc1c[nH+]c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1NC(C)C ZINC001165309787 1223244401 /nfs/dbraw/zinc/24/44/01/1223244401.db2.gz BBJXEFYMWWWABN-UHFFFAOYSA-N 2 2 358.450 0.996 20 0 FCADLP CCn1ncnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165711717 1223254604 /nfs/dbraw/zinc/25/46/04/1223254604.db2.gz UNRRFULYOWWGAG-HUUCEWRRSA-N 2 2 364.494 0.393 20 0 FCADLP CCn1ncnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165711717 1223254607 /nfs/dbraw/zinc/25/46/07/1223254607.db2.gz UNRRFULYOWWGAG-HUUCEWRRSA-N 2 2 364.494 0.393 20 0 FCADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCCC[C@@H]3C(=O)N3CCOCC3)n2)CC1 ZINC001166659143 1223284230 /nfs/dbraw/zinc/28/42/30/1223284230.db2.gz VAUORYYORCLGNG-MRXNPFEDSA-N 2 2 374.489 0.622 20 0 FCADLP CCCCn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166968185 1223290453 /nfs/dbraw/zinc/29/04/53/1223290453.db2.gz NWJZETGJDAHXLT-ZIAGYGMSSA-N 2 2 360.466 0.606 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@@H+](Cc2cccn2C)CC3)cn1 ZINC001203261457 1223293002 /nfs/dbraw/zinc/29/30/02/1223293002.db2.gz SQILXNVTPCSSPT-UHFFFAOYSA-N 2 2 367.457 0.943 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CC[N@H+](Cc2cccn2C)CC3)cn1 ZINC001203261457 1223293005 /nfs/dbraw/zinc/29/30/05/1223293005.db2.gz SQILXNVTPCSSPT-UHFFFAOYSA-N 2 2 367.457 0.943 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205195003 1223315250 /nfs/dbraw/zinc/31/52/50/1223315250.db2.gz HILOSLFADPEOFN-QZTJIDSGSA-N 2 2 358.442 0.409 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205195003 1223315254 /nfs/dbraw/zinc/31/52/54/1223315254.db2.gz HILOSLFADPEOFN-QZTJIDSGSA-N 2 2 358.442 0.409 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001207547388 1223454885 /nfs/dbraw/zinc/45/48/85/1223454885.db2.gz UVLVBWWKIHUCJD-FVQBIDKESA-N 2 2 359.474 0.723 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001207547388 1223454887 /nfs/dbraw/zinc/45/48/87/1223454887.db2.gz UVLVBWWKIHUCJD-FVQBIDKESA-N 2 2 359.474 0.723 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567911 1223457800 /nfs/dbraw/zinc/45/78/00/1223457800.db2.gz GHJZYCUDXHRYMF-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567911 1223457801 /nfs/dbraw/zinc/45/78/01/1223457801.db2.gz GHJZYCUDXHRYMF-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567911 1223457802 /nfs/dbraw/zinc/45/78/02/1223457802.db2.gz GHJZYCUDXHRYMF-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567911 1223457806 /nfs/dbraw/zinc/45/78/06/1223457806.db2.gz GHJZYCUDXHRYMF-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207698319 1223471899 /nfs/dbraw/zinc/47/18/99/1223471899.db2.gz YIHWBXINVAJRGO-RBSFLKMASA-N 2 2 369.510 0.389 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207698319 1223471902 /nfs/dbraw/zinc/47/19/02/1223471902.db2.gz YIHWBXINVAJRGO-RBSFLKMASA-N 2 2 369.510 0.389 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001207758281 1223477135 /nfs/dbraw/zinc/47/71/35/1223477135.db2.gz ZKHYODQRALGBNK-FRFSOERESA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001207758281 1223477137 /nfs/dbraw/zinc/47/71/37/1223477137.db2.gz ZKHYODQRALGBNK-FRFSOERESA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766730 1223478479 /nfs/dbraw/zinc/47/84/79/1223478479.db2.gz GFHZMPLRQYXNRE-RHSMWYFYSA-N 2 2 357.462 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207766730 1223478481 /nfs/dbraw/zinc/47/84/81/1223478481.db2.gz GFHZMPLRQYXNRE-RHSMWYFYSA-N 2 2 357.462 0.673 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207867925 1223488191 /nfs/dbraw/zinc/48/81/91/1223488191.db2.gz DWPXPVVEOUXQTH-CXAGYDPISA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207867925 1223488195 /nfs/dbraw/zinc/48/81/95/1223488195.db2.gz DWPXPVVEOUXQTH-CXAGYDPISA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)O1 ZINC000977936980 1248683705 /nfs/dbraw/zinc/68/37/05/1248683705.db2.gz GQFTXRMSJGZOHD-OWCLPIDISA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)O1 ZINC000977936980 1248683720 /nfs/dbraw/zinc/68/37/20/1248683720.db2.gz GQFTXRMSJGZOHD-OWCLPIDISA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062099 1223511292 /nfs/dbraw/zinc/51/12/92/1223511292.db2.gz ZAZUFHNRYSXYMU-BZUAXINKSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062099 1223511294 /nfs/dbraw/zinc/51/12/94/1223511294.db2.gz ZAZUFHNRYSXYMU-BZUAXINKSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208255110 1223525742 /nfs/dbraw/zinc/52/57/42/1223525742.db2.gz URHRSXQHXNWDNO-OIISXLGYSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208255110 1223525746 /nfs/dbraw/zinc/52/57/46/1223525746.db2.gz URHRSXQHXNWDNO-OIISXLGYSA-N 2 2 359.474 0.863 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208404845 1223539370 /nfs/dbraw/zinc/53/93/70/1223539370.db2.gz COQFUJZMFHIKOT-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208404845 1223539375 /nfs/dbraw/zinc/53/93/75/1223539375.db2.gz COQFUJZMFHIKOT-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208404845 1223539379 /nfs/dbraw/zinc/53/93/79/1223539379.db2.gz COQFUJZMFHIKOT-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208404845 1223539383 /nfs/dbraw/zinc/53/93/83/1223539383.db2.gz COQFUJZMFHIKOT-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530500 1223553615 /nfs/dbraw/zinc/55/36/15/1223553615.db2.gz YLQGWFMGLCJXHR-IIAWOOMASA-N 2 2 369.510 0.245 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530500 1223553619 /nfs/dbraw/zinc/55/36/19/1223553619.db2.gz YLQGWFMGLCJXHR-IIAWOOMASA-N 2 2 369.510 0.245 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208609997 1223561926 /nfs/dbraw/zinc/56/19/26/1223561926.db2.gz XUAQTPNJEKPTAY-BZZMCLGOSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208609997 1223561930 /nfs/dbraw/zinc/56/19/30/1223561930.db2.gz XUAQTPNJEKPTAY-BZZMCLGOSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208609997 1223561936 /nfs/dbraw/zinc/56/19/36/1223561936.db2.gz XUAQTPNJEKPTAY-BZZMCLGOSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](C)C3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001208609997 1223561937 /nfs/dbraw/zinc/56/19/37/1223561937.db2.gz XUAQTPNJEKPTAY-BZZMCLGOSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208611923 1223563232 /nfs/dbraw/zinc/56/32/32/1223563232.db2.gz YLVJZRMDHBIHOQ-INIZCTEOSA-N 2 2 374.533 0.508 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208611923 1223563234 /nfs/dbraw/zinc/56/32/34/1223563234.db2.gz YLVJZRMDHBIHOQ-INIZCTEOSA-N 2 2 374.533 0.508 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nn[nH]c1C(=O)NC ZINC001208742555 1223574914 /nfs/dbraw/zinc/57/49/14/1223574914.db2.gz AGFYEDITFFIILW-GFCCVEGCSA-N 2 2 366.470 0.044 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nn[nH]c1C(=O)NC ZINC001208742555 1223574918 /nfs/dbraw/zinc/57/49/18/1223574918.db2.gz AGFYEDITFFIILW-GFCCVEGCSA-N 2 2 366.470 0.044 20 0 FCADLP Cc1cc(CN2C[C@]3(CC2=O)COCC[N@H+](CCC[NH+](C)C)C3)n(C)n1 ZINC001276609109 1223592268 /nfs/dbraw/zinc/59/22/68/1223592268.db2.gz HBJOQYQSEMVKKI-LJQANCHMSA-N 2 2 363.506 0.731 20 0 FCADLP Cc1cc(CN2C[C@]3(CC2=O)COCC[N@@H+](CCC[NH+](C)C)C3)n(C)n1 ZINC001276609109 1223592271 /nfs/dbraw/zinc/59/22/71/1223592271.db2.gz HBJOQYQSEMVKKI-LJQANCHMSA-N 2 2 363.506 0.731 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(CCCCCC(N)=O)C2=O)C1 ZINC001276609295 1223593562 /nfs/dbraw/zinc/59/35/62/1223593562.db2.gz IHOAJDMHJYIHCK-LJQANCHMSA-N 2 2 366.506 0.825 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CC(=O)N(CCCCCC(N)=O)C2=O)C1 ZINC001276609295 1223593565 /nfs/dbraw/zinc/59/35/65/1223593565.db2.gz IHOAJDMHJYIHCK-LJQANCHMSA-N 2 2 366.506 0.825 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505989 1223625581 /nfs/dbraw/zinc/62/55/81/1223625581.db2.gz CZUTVZBVYBVNKR-GDBMZVCRSA-N 2 2 364.494 0.265 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505989 1223625586 /nfs/dbraw/zinc/62/55/86/1223625586.db2.gz CZUTVZBVYBVNKR-GDBMZVCRSA-N 2 2 364.494 0.265 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001209506443 1223626435 /nfs/dbraw/zinc/62/64/35/1223626435.db2.gz KOHGRTYVAQTXPF-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001209506443 1223626438 /nfs/dbraw/zinc/62/64/38/1223626438.db2.gz KOHGRTYVAQTXPF-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209514994 1223627514 /nfs/dbraw/zinc/62/75/14/1223627514.db2.gz RYCOEVGWFWFUJS-HLLBOEOZSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209514994 1223627517 /nfs/dbraw/zinc/62/75/17/1223627517.db2.gz RYCOEVGWFWFUJS-HLLBOEOZSA-N 2 2 366.506 0.060 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001209562173 1223631369 /nfs/dbraw/zinc/63/13/69/1223631369.db2.gz QEOVWXBZIMBDEJ-HUUCEWRRSA-N 2 2 369.510 0.391 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001209562173 1223631372 /nfs/dbraw/zinc/63/13/72/1223631372.db2.gz QEOVWXBZIMBDEJ-HUUCEWRRSA-N 2 2 369.510 0.391 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001209562173 1223631377 /nfs/dbraw/zinc/63/13/77/1223631377.db2.gz QEOVWXBZIMBDEJ-HUUCEWRRSA-N 2 2 369.510 0.391 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698957 1223641858 /nfs/dbraw/zinc/64/18/58/1223641858.db2.gz WRRNXFWYXGZUFO-IAGOWNOFSA-N 2 2 367.538 0.862 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698957 1223641862 /nfs/dbraw/zinc/64/18/62/1223641862.db2.gz WRRNXFWYXGZUFO-IAGOWNOFSA-N 2 2 367.538 0.862 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001209727531 1223643795 /nfs/dbraw/zinc/64/37/95/1223643795.db2.gz XBIFUDDWCQBONQ-VHSSKADRSA-N 2 2 368.441 0.694 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001209727531 1223643796 /nfs/dbraw/zinc/64/37/96/1223643796.db2.gz XBIFUDDWCQBONQ-VHSSKADRSA-N 2 2 368.441 0.694 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836145 1223653029 /nfs/dbraw/zinc/65/30/29/1223653029.db2.gz GXGBZOZJGHECBV-NVXWUHKLSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836145 1223653030 /nfs/dbraw/zinc/65/30/30/1223653030.db2.gz GXGBZOZJGHECBV-NVXWUHKLSA-N 2 2 363.506 0.950 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](C[C@@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693171 1223719790 /nfs/dbraw/zinc/71/97/90/1223719790.db2.gz DXBUHXUWJPELFR-QAPCUYQASA-N 2 2 362.430 0.140 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](C[C@@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693171 1223719792 /nfs/dbraw/zinc/71/97/92/1223719792.db2.gz DXBUHXUWJPELFR-QAPCUYQASA-N 2 2 362.430 0.140 20 0 FCADLP C[C@@H](C(=O)NCc1ccco1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038049 1223721047 /nfs/dbraw/zinc/72/10/47/1223721047.db2.gz BSVJHDLRQBKMMZ-HLLBOEOZSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H](C(=O)NCc1ccco1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038049 1223721049 /nfs/dbraw/zinc/72/10/49/1223721049.db2.gz BSVJHDLRQBKMMZ-HLLBOEOZSA-N 2 2 362.474 0.817 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)ncn1 ZINC001211046102 1223721612 /nfs/dbraw/zinc/72/16/12/1223721612.db2.gz IQCBCJNYVUZFOV-RVKKMQEKSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)ncn1 ZINC001211046102 1223721613 /nfs/dbraw/zinc/72/16/13/1223721613.db2.gz IQCBCJNYVUZFOV-RVKKMQEKSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)nn1C ZINC001211055126 1223722347 /nfs/dbraw/zinc/72/23/47/1223722347.db2.gz ZFMYPXPZQGUXCM-RVKKMQEKSA-N 2 2 363.506 0.633 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)nn1C ZINC001211055126 1223722350 /nfs/dbraw/zinc/72/23/50/1223722350.db2.gz ZFMYPXPZQGUXCM-RVKKMQEKSA-N 2 2 363.506 0.633 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366818 1223738239 /nfs/dbraw/zinc/73/82/39/1223738239.db2.gz KJNREMDHSUDHMA-IIAWOOMASA-N 2 2 367.494 0.128 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+]1CCCCC1 ZINC001211366818 1223738241 /nfs/dbraw/zinc/73/82/41/1223738241.db2.gz KJNREMDHSUDHMA-IIAWOOMASA-N 2 2 367.494 0.128 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001211451686 1223743499 /nfs/dbraw/zinc/74/34/99/1223743499.db2.gz FRBMRNMXKPWESL-NVXWUHKLSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CC1 ZINC001211451686 1223743501 /nfs/dbraw/zinc/74/35/01/1223743501.db2.gz FRBMRNMXKPWESL-NVXWUHKLSA-N 2 2 361.490 0.967 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167596 1223762377 /nfs/dbraw/zinc/76/23/77/1223762377.db2.gz AJGQRZFRUCKSQR-BZUAXINKSA-N 2 2 365.478 0.264 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213167596 1223762383 /nfs/dbraw/zinc/76/23/83/1223762383.db2.gz AJGQRZFRUCKSQR-BZUAXINKSA-N 2 2 365.478 0.264 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CC1 ZINC001213204433 1223768033 /nfs/dbraw/zinc/76/80/33/1223768033.db2.gz KNHDZNHDYNDYGX-BRWVUGGUSA-N 2 2 364.490 0.983 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1)C1CC1 ZINC001213204433 1223768035 /nfs/dbraw/zinc/76/80/35/1223768035.db2.gz KNHDZNHDYNDYGX-BRWVUGGUSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241413 1223775405 /nfs/dbraw/zinc/77/54/05/1223775405.db2.gz BBAJKUACWPPPKG-IAGOWNOFSA-N 2 2 370.413 0.825 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241413 1223775408 /nfs/dbraw/zinc/77/54/08/1223775408.db2.gz BBAJKUACWPPPKG-IAGOWNOFSA-N 2 2 370.413 0.825 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241621 1223775457 /nfs/dbraw/zinc/77/54/57/1223775457.db2.gz GHLDRVKZTPWPNE-QZTJIDSGSA-N 2 2 358.442 0.781 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241621 1223775460 /nfs/dbraw/zinc/77/54/60/1223775460.db2.gz GHLDRVKZTPWPNE-QZTJIDSGSA-N 2 2 358.442 0.781 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213397842 1223793797 /nfs/dbraw/zinc/79/37/97/1223793797.db2.gz ZZGLMDGELOAPTJ-JFIYKMOQSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213397842 1223793799 /nfs/dbraw/zinc/79/37/99/1223793799.db2.gz ZZGLMDGELOAPTJ-JFIYKMOQSA-N 2 2 368.522 0.401 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1OC ZINC001213588419 1223818735 /nfs/dbraw/zinc/81/87/35/1223818735.db2.gz GEVFIHXUZRCGLY-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1OC ZINC001213588419 1223818736 /nfs/dbraw/zinc/81/87/36/1223818736.db2.gz GEVFIHXUZRCGLY-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001213588419 1223818737 /nfs/dbraw/zinc/81/87/37/1223818737.db2.gz GEVFIHXUZRCGLY-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001213588419 1223818739 /nfs/dbraw/zinc/81/87/39/1223818739.db2.gz GEVFIHXUZRCGLY-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588747 1223819125 /nfs/dbraw/zinc/81/91/25/1223819125.db2.gz RUKFQNSWJMFWIG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588747 1223819127 /nfs/dbraw/zinc/81/91/27/1223819127.db2.gz RUKFQNSWJMFWIG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588747 1223819129 /nfs/dbraw/zinc/81/91/29/1223819129.db2.gz RUKFQNSWJMFWIG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213588747 1223819130 /nfs/dbraw/zinc/81/91/30/1223819130.db2.gz RUKFQNSWJMFWIG-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213595048 1223820089 /nfs/dbraw/zinc/82/00/89/1223820089.db2.gz XPISSGWYISKGDS-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213595048 1223820090 /nfs/dbraw/zinc/82/00/90/1223820090.db2.gz XPISSGWYISKGDS-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213597197 1223820534 /nfs/dbraw/zinc/82/05/34/1223820534.db2.gz YLTHTNLMVYSMOO-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213597197 1223820535 /nfs/dbraw/zinc/82/05/35/1223820535.db2.gz YLTHTNLMVYSMOO-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859944 1223862260 /nfs/dbraw/zinc/86/22/60/1223862260.db2.gz PAFYMZVKLKIYRH-FVQBIDKESA-N 2 2 365.478 0.262 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213859944 1223862263 /nfs/dbraw/zinc/86/22/63/1223862263.db2.gz PAFYMZVKLKIYRH-FVQBIDKESA-N 2 2 365.478 0.262 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921501 1223872852 /nfs/dbraw/zinc/87/28/52/1223872852.db2.gz BZUJJJWKISVGQQ-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921501 1223872853 /nfs/dbraw/zinc/87/28/53/1223872853.db2.gz BZUJJJWKISVGQQ-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925850 1223874303 /nfs/dbraw/zinc/87/43/03/1223874303.db2.gz SPYOZCKFPWYEID-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925850 1223874306 /nfs/dbraw/zinc/87/43/06/1223874306.db2.gz SPYOZCKFPWYEID-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925850 1223874307 /nfs/dbraw/zinc/87/43/07/1223874307.db2.gz SPYOZCKFPWYEID-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001213925850 1223874311 /nfs/dbraw/zinc/87/43/11/1223874311.db2.gz SPYOZCKFPWYEID-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930019 1223875316 /nfs/dbraw/zinc/87/53/16/1223875316.db2.gz WBVKMLFGULTCIA-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930019 1223875318 /nfs/dbraw/zinc/87/53/18/1223875318.db2.gz WBVKMLFGULTCIA-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930019 1223875320 /nfs/dbraw/zinc/87/53/20/1223875320.db2.gz WBVKMLFGULTCIA-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930019 1223875321 /nfs/dbraw/zinc/87/53/21/1223875321.db2.gz WBVKMLFGULTCIA-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214531209 1223918848 /nfs/dbraw/zinc/91/88/48/1223918848.db2.gz SHRHGMKVEKIXRU-UKRRQHHQSA-N 2 2 359.430 0.688 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)on1 ZINC001214531197 1223918920 /nfs/dbraw/zinc/91/89/20/1223918920.db2.gz RRCNPIVSKXBUAN-DGCLKSJQSA-N 2 2 360.418 0.714 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672811 1223931106 /nfs/dbraw/zinc/93/11/06/1223931106.db2.gz YSQAAJSZRIOEMC-GDBMZVCRSA-N 2 2 361.490 0.725 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001215268958 1223986573 /nfs/dbraw/zinc/98/65/73/1223986573.db2.gz FMRCRYQFNXLEMU-QLFBSQMISA-N 2 2 371.445 0.527 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685717 1224012424 /nfs/dbraw/zinc/01/24/24/1224012424.db2.gz UXNZBMWZTUDKFF-MBNYWOFBSA-N 2 2 364.450 0.011 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N(C)Cc1ccco1 ZINC001216065419 1224032650 /nfs/dbraw/zinc/03/26/50/1224032650.db2.gz PPDKLMCJQJLPRG-UKRRQHHQSA-N 2 2 359.430 0.640 20 0 FCADLP CC[N@H+](C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC001216348947 1224045908 /nfs/dbraw/zinc/04/59/08/1224045908.db2.gz QMBFANFMSYOSFC-KYJSFNMBSA-N 2 2 371.489 0.840 20 0 FCADLP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC001216348947 1224045911 /nfs/dbraw/zinc/04/59/11/1224045911.db2.gz QMBFANFMSYOSFC-KYJSFNMBSA-N 2 2 371.489 0.840 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216366859 1224046285 /nfs/dbraw/zinc/04/62/85/1224046285.db2.gz TWDPENOVYJYQFF-DVOMOZLQSA-N 2 2 356.430 0.452 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216362232 1224046616 /nfs/dbraw/zinc/04/66/16/1224046616.db2.gz RQQNVOJAXRTMAB-RHSMWYFYSA-N 2 2 370.457 0.844 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216631230 1224059997 /nfs/dbraw/zinc/05/99/97/1224059997.db2.gz YYIKVTKWSVUUDO-KBAYOESNSA-N 2 2 366.506 0.823 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001216802617 1224073790 /nfs/dbraw/zinc/07/37/90/1224073790.db2.gz BOCVYMDAXHTERI-ATZDWAIDSA-N 2 2 365.518 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001217000801 1224083914 /nfs/dbraw/zinc/08/39/14/1224083914.db2.gz OYUVACXUWMIGJM-GDBMZVCRSA-N 2 2 356.430 0.031 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cn1 ZINC000978294806 1248726011 /nfs/dbraw/zinc/72/60/11/1248726011.db2.gz RJOXDUWMMLAXNH-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cn1 ZINC000978294806 1248726018 /nfs/dbraw/zinc/72/60/18/1248726018.db2.gz RJOXDUWMMLAXNH-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cn1 ZINC000978294806 1248726025 /nfs/dbraw/zinc/72/60/25/1248726025.db2.gz RJOXDUWMMLAXNH-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cn1 ZINC000978294806 1248726029 /nfs/dbraw/zinc/72/60/29/1248726029.db2.gz RJOXDUWMMLAXNH-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000978436839 1248754757 /nfs/dbraw/zinc/75/47/57/1248754757.db2.gz PIVXWHKZBVYJEK-BZUAXINKSA-N 2 2 370.457 0.788 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@@]3(C)C2)C1=O ZINC000982299943 1248784964 /nfs/dbraw/zinc/78/49/64/1248784964.db2.gz PTEJNGMCOJPOLD-SBMOTQJGSA-N 2 2 371.485 0.914 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@@]3(C)C2)C1=O ZINC000982299943 1248784969 /nfs/dbraw/zinc/78/49/69/1248784969.db2.gz PTEJNGMCOJPOLD-SBMOTQJGSA-N 2 2 371.485 0.914 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@@]3(C)C2)C1=O ZINC000982299943 1248784978 /nfs/dbraw/zinc/78/49/78/1248784978.db2.gz PTEJNGMCOJPOLD-SBMOTQJGSA-N 2 2 371.485 0.914 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@@]3(C)C2)C1=O ZINC000982299943 1248784987 /nfs/dbraw/zinc/78/49/87/1248784987.db2.gz PTEJNGMCOJPOLD-SBMOTQJGSA-N 2 2 371.485 0.914 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001327762313 1265417588 /nfs/dbraw/zinc/41/75/88/1265417588.db2.gz GOFLSRWETHCCFV-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001327762313 1265417595 /nfs/dbraw/zinc/41/75/95/1265417595.db2.gz GOFLSRWETHCCFV-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000988092637 1249337593 /nfs/dbraw/zinc/33/75/93/1249337593.db2.gz BNVMJFRXRFNEQA-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000988092637 1249337596 /nfs/dbraw/zinc/33/75/96/1249337596.db2.gz BNVMJFRXRFNEQA-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1)[NH+](C)C ZINC000993319210 1249462559 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ZINC000998359642 1251868896 /nfs/dbraw/zinc/86/88/96/1251868896.db2.gz OMSVPCMEUWGNOH-HZPDHXFCSA-N 2 2 359.474 0.583 20 0 FCADLP CN(C(=O)C(=O)N1CCCC(F)(F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328744015 1265608184 /nfs/dbraw/zinc/60/81/84/1265608184.db2.gz KLAJKEVUJKHKIK-HNNXBMFYSA-N 2 2 372.460 0.871 20 0 FCADLP CN(C(=O)C(=O)N1CCCC(F)(F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328744015 1265608193 /nfs/dbraw/zinc/60/81/93/1265608193.db2.gz KLAJKEVUJKHKIK-HNNXBMFYSA-N 2 2 372.460 0.871 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC000998627279 1251930917 /nfs/dbraw/zinc/93/09/17/1251930917.db2.gz YRKXHMQEWBDHRM-FSDCSDTHSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC000998627279 1251930925 /nfs/dbraw/zinc/93/09/25/1251930925.db2.gz YRKXHMQEWBDHRM-FSDCSDTHSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998938737 1252002866 /nfs/dbraw/zinc/00/28/66/1252002866.db2.gz HMGQUPUFCBJWEN-NWINJMCUSA-N 2 2 359.430 0.241 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998938737 1252002879 /nfs/dbraw/zinc/00/28/79/1252002879.db2.gz HMGQUPUFCBJWEN-NWINJMCUSA-N 2 2 359.430 0.241 20 0 FCADLP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC000999414822 1252110100 /nfs/dbraw/zinc/11/01/00/1252110100.db2.gz XKESZKLYYMFLGE-ARFHVFGLSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC000999414822 1252110110 /nfs/dbraw/zinc/11/01/10/1252110110.db2.gz XKESZKLYYMFLGE-ARFHVFGLSA-N 2 2 355.442 0.993 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001001671788 1252289387 /nfs/dbraw/zinc/28/93/87/1252289387.db2.gz DREHYVPMKSFNIC-NXHRZFHOSA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)CCC1 ZINC001001817329 1252358791 /nfs/dbraw/zinc/35/87/91/1252358791.db2.gz BHHAXDYHTNNVFJ-LVQVYYBASA-N 2 2 364.490 0.049 20 0 FCADLP C[NH+](C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)CCC1 ZINC001001817329 1252358799 /nfs/dbraw/zinc/35/87/99/1252358799.db2.gz BHHAXDYHTNNVFJ-LVQVYYBASA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC[N@@H+]1C ZINC001002775670 1252671525 /nfs/dbraw/zinc/67/15/25/1252671525.db2.gz GULAQZYMZHMMJW-FVQBIDKESA-N 2 2 359.474 0.360 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC[N@H+]1C ZINC001002775670 1252671528 /nfs/dbraw/zinc/67/15/28/1252671528.db2.gz GULAQZYMZHMMJW-FVQBIDKESA-N 2 2 359.474 0.360 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001002792976 1252676981 /nfs/dbraw/zinc/67/69/81/1252676981.db2.gz ZDUBOQNNIMWRJT-ABFRBSLYSA-N 2 2 359.474 0.553 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001002792976 1252676991 /nfs/dbraw/zinc/67/69/91/1252676991.db2.gz ZDUBOQNNIMWRJT-ABFRBSLYSA-N 2 2 359.474 0.553 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)C1 ZINC001002830178 1252693959 /nfs/dbraw/zinc/69/39/59/1252693959.db2.gz JSZVHIABQKTITJ-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)C1 ZINC001002830178 1252693969 /nfs/dbraw/zinc/69/39/69/1252693969.db2.gz JSZVHIABQKTITJ-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C12CCC[NH+](CCC1)C2 ZINC001002877510 1252723689 /nfs/dbraw/zinc/72/36/89/1252723689.db2.gz PHIZBDACPDHPSD-HZPDHXFCSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C12CCC[NH+](CCC1)C2 ZINC001002877510 1252723698 /nfs/dbraw/zinc/72/36/98/1252723698.db2.gz PHIZBDACPDHPSD-HZPDHXFCSA-N 2 2 371.485 0.964 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001002948775 1252746646 /nfs/dbraw/zinc/74/66/46/1252746646.db2.gz BTBNXWHXQQFJRM-DDBAPUKQSA-N 2 2 371.485 0.553 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950015 1252747280 /nfs/dbraw/zinc/74/72/80/1252747280.db2.gz SMJVJAGCXCYWAG-TWMKSMIVSA-N 2 2 357.458 0.473 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001003301189 1252842795 /nfs/dbraw/zinc/84/27/95/1252842795.db2.gz ILXPJTSWZAPFAW-HZPDHXFCSA-N 2 2 371.485 0.727 20 0 FCADLP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001003663635 1253043674 /nfs/dbraw/zinc/04/36/74/1253043674.db2.gz SSOQTGHBKARYPW-AHCXZYCDSA-N 2 2 371.485 0.789 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)C1 ZINC001003741048 1253085868 /nfs/dbraw/zinc/08/58/68/1253085868.db2.gz CABNQBPLXXTXFG-OAGGEKHMSA-N 2 2 359.474 0.863 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)C1 ZINC001003741048 1253085874 /nfs/dbraw/zinc/08/58/74/1253085874.db2.gz CABNQBPLXXTXFG-OAGGEKHMSA-N 2 2 359.474 0.863 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003745557 1253088010 /nfs/dbraw/zinc/08/80/10/1253088010.db2.gz KLLSOGNHVBQSMO-NXHRZFHOSA-N 2 2 373.501 0.943 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001004212245 1253249149 /nfs/dbraw/zinc/24/91/49/1253249149.db2.gz XLOKMVKTIPHDSD-BMFZPTHFSA-N 2 2 356.430 0.416 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001004360721 1253296975 /nfs/dbraw/zinc/29/69/75/1253296975.db2.gz MTOOEYDXUFCULO-HZMVEIRTSA-N 2 2 359.474 0.863 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001004360721 1253296985 /nfs/dbraw/zinc/29/69/85/1253296985.db2.gz MTOOEYDXUFCULO-HZMVEIRTSA-N 2 2 359.474 0.863 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001004372435 1253305854 /nfs/dbraw/zinc/30/58/54/1253305854.db2.gz ZHAMQHVXBGEJHC-IDCNUPLLSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001004372435 1253305860 /nfs/dbraw/zinc/30/58/60/1253305860.db2.gz ZHAMQHVXBGEJHC-IDCNUPLLSA-N 2 2 373.501 0.943 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC001004415876 1253318024 /nfs/dbraw/zinc/31/80/24/1253318024.db2.gz ABXOMBPQQJVTHA-UNEWFSDZSA-N 2 2 368.441 0.906 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001004522450 1253353180 /nfs/dbraw/zinc/35/31/80/1253353180.db2.gz ZMPWRDKUCCYNPE-INMHGKMJSA-N 2 2 361.490 0.684 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001004816187 1253412481 /nfs/dbraw/zinc/41/24/81/1253412481.db2.gz HDEJZNLZJJGTJS-KBEGMRNHSA-N 2 2 359.474 0.849 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001022424348 1253807264 /nfs/dbraw/zinc/80/72/64/1253807264.db2.gz UNOJOLSINIJFHA-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001022424348 1253807269 /nfs/dbraw/zinc/80/72/69/1253807269.db2.gz UNOJOLSINIJFHA-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463623 1253854740 /nfs/dbraw/zinc/85/47/40/1253854740.db2.gz FNQMWGXRIZYDQQ-BPQIPLTHSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463623 1253854744 /nfs/dbraw/zinc/85/47/44/1253854744.db2.gz FNQMWGXRIZYDQQ-BPQIPLTHSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463623 1253854751 /nfs/dbraw/zinc/85/47/51/1253854751.db2.gz FNQMWGXRIZYDQQ-BPQIPLTHSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463623 1253854755 /nfs/dbraw/zinc/85/47/55/1253854755.db2.gz FNQMWGXRIZYDQQ-BPQIPLTHSA-N 2 2 363.506 0.870 20 0 FCADLP COc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766756 1253869479 /nfs/dbraw/zinc/86/94/79/1253869479.db2.gz GBTCKYIKVNIZDR-IIAWOOMASA-N 2 2 366.462 0.683 20 0 FCADLP COc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001029766756 1253869489 /nfs/dbraw/zinc/86/94/89/1253869489.db2.gz GBTCKYIKVNIZDR-IIAWOOMASA-N 2 2 366.462 0.683 20 0 FCADLP COc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766756 1253869495 /nfs/dbraw/zinc/86/94/95/1253869495.db2.gz GBTCKYIKVNIZDR-IIAWOOMASA-N 2 2 366.462 0.683 20 0 FCADLP COc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001029766756 1253869499 /nfs/dbraw/zinc/86/94/99/1253869499.db2.gz GBTCKYIKVNIZDR-IIAWOOMASA-N 2 2 366.462 0.683 20 0 FCADLP CCn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767373 1253869961 /nfs/dbraw/zinc/86/99/61/1253869961.db2.gz QCZDUBNVGAEJBC-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767373 1253869965 /nfs/dbraw/zinc/86/99/65/1253869965.db2.gz QCZDUBNVGAEJBC-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767373 1253869971 /nfs/dbraw/zinc/86/99/71/1253869971.db2.gz QCZDUBNVGAEJBC-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001029767373 1253869975 /nfs/dbraw/zinc/86/99/75/1253869975.db2.gz QCZDUBNVGAEJBC-BFYDXBDKSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1nncc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767328 1253871960 /nfs/dbraw/zinc/87/19/60/1253871960.db2.gz OHNKXYKYQVZQLG-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1nncc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029767328 1253871974 /nfs/dbraw/zinc/87/19/74/1253871974.db2.gz OHNKXYKYQVZQLG-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1nncc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029767328 1253871986 /nfs/dbraw/zinc/87/19/86/1253871986.db2.gz OHNKXYKYQVZQLG-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1nncc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029767328 1253871998 /nfs/dbraw/zinc/87/19/98/1253871998.db2.gz OHNKXYKYQVZQLG-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001031986927 1253910671 /nfs/dbraw/zinc/91/06/71/1253910671.db2.gz KXTADBIIUJOQKL-FVQBIDKESA-N 2 2 359.474 0.488 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001032636186 1253936665 /nfs/dbraw/zinc/93/66/65/1253936665.db2.gz YUDBPSNRRAQXDN-MWDXBVQZSA-N 2 2 367.453 0.708 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001032636186 1253936684 /nfs/dbraw/zinc/93/66/84/1253936684.db2.gz YUDBPSNRRAQXDN-MWDXBVQZSA-N 2 2 367.453 0.708 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1CCCC1=O ZINC001032636832 1253936824 /nfs/dbraw/zinc/93/68/24/1253936824.db2.gz XXXDVQAESICWOA-MWDXBVQZSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCN1CCCC1=O ZINC001032636832 1253936847 /nfs/dbraw/zinc/93/68/47/1253936847.db2.gz XXXDVQAESICWOA-MWDXBVQZSA-N 2 2 371.485 0.821 20 0 FCADLP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001034270412 1253982707 /nfs/dbraw/zinc/98/27/07/1253982707.db2.gz AQPAGZBRSLBKNY-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001034270412 1253982713 /nfs/dbraw/zinc/98/27/13/1253982713.db2.gz AQPAGZBRSLBKNY-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001034270412 1253982716 /nfs/dbraw/zinc/98/27/16/1253982716.db2.gz AQPAGZBRSLBKNY-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001034270412 1253982723 /nfs/dbraw/zinc/98/27/23/1253982723.db2.gz AQPAGZBRSLBKNY-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP O=C(N[C@@H]1CCCC[N@@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001034320867 1253989628 /nfs/dbraw/zinc/98/96/28/1253989628.db2.gz BJQOWGFFXYWDLZ-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP O=C(N[C@@H]1CCCC[N@H+](CCCO)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001034320867 1253989638 /nfs/dbraw/zinc/98/96/38/1253989638.db2.gz BJQOWGFFXYWDLZ-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCC2)CC1 ZINC001034738001 1254004493 /nfs/dbraw/zinc/00/44/93/1254004493.db2.gz OJWWSTHOBVRBSU-KLHDSHLOSA-N 2 2 359.474 0.773 20 0 FCADLP CCn1cc(CC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001035374904 1254029773 /nfs/dbraw/zinc/02/97/73/1254029773.db2.gz DWNMUEGGCBNVRR-KBAYOESNSA-N 2 2 363.506 0.603 20 0 FCADLP CCn1cc(CC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001035374904 1254029782 /nfs/dbraw/zinc/02/97/82/1254029782.db2.gz DWNMUEGGCBNVRR-KBAYOESNSA-N 2 2 363.506 0.603 20 0 FCADLP CCn1cc(CC[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001035374904 1254029786 /nfs/dbraw/zinc/02/97/86/1254029786.db2.gz DWNMUEGGCBNVRR-KBAYOESNSA-N 2 2 363.506 0.603 20 0 FCADLP CCn1cc(CC[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001035374904 1254029793 /nfs/dbraw/zinc/02/97/93/1254029793.db2.gz DWNMUEGGCBNVRR-KBAYOESNSA-N 2 2 363.506 0.603 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001061549445 1254186380 /nfs/dbraw/zinc/18/63/80/1254186380.db2.gz WFXIEFRYZHWUKW-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001061549445 1254186384 /nfs/dbraw/zinc/18/63/84/1254186384.db2.gz WFXIEFRYZHWUKW-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061677828 1254203223 /nfs/dbraw/zinc/20/32/23/1254203223.db2.gz NGHTWNOVLNKGDB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061677828 1254203231 /nfs/dbraw/zinc/20/32/31/1254203231.db2.gz NGHTWNOVLNKGDB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001329815807 1265860178 /nfs/dbraw/zinc/86/01/78/1265860178.db2.gz WYOKDXXFLICJJC-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC001329815807 1265860190 /nfs/dbraw/zinc/86/01/90/1265860190.db2.gz WYOKDXXFLICJJC-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065540018 1254545738 /nfs/dbraw/zinc/54/57/38/1254545738.db2.gz JUTFYHXWXNVAGZ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065540018 1254545756 /nfs/dbraw/zinc/54/57/56/1254545756.db2.gz JUTFYHXWXNVAGZ-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCCC1 ZINC001075967236 1254660955 /nfs/dbraw/zinc/66/09/55/1254660955.db2.gz JZKWHAJRSFTUBS-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)N1CCCC1 ZINC001075967236 1254660967 /nfs/dbraw/zinc/66/09/67/1254660967.db2.gz JZKWHAJRSFTUBS-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554104 1254680563 /nfs/dbraw/zinc/68/05/63/1254680563.db2.gz YJQKCKFICPAJCY-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554104 1254680573 /nfs/dbraw/zinc/68/05/73/1254680573.db2.gz YJQKCKFICPAJCY-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554104 1254680578 /nfs/dbraw/zinc/68/05/78/1254680578.db2.gz YJQKCKFICPAJCY-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554104 1254680581 /nfs/dbraw/zinc/68/05/81/1254680581.db2.gz YJQKCKFICPAJCY-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001077677115 1254859513 /nfs/dbraw/zinc/85/95/13/1254859513.db2.gz XXNQJYRZNSHXAL-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001077677115 1254859523 /nfs/dbraw/zinc/85/95/23/1254859523.db2.gz XXNQJYRZNSHXAL-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001077677115 1254859533 /nfs/dbraw/zinc/85/95/33/1254859533.db2.gz XXNQJYRZNSHXAL-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001077677115 1254859544 /nfs/dbraw/zinc/85/95/44/1254859544.db2.gz XXNQJYRZNSHXAL-KFKAGJAMSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679160 1254863376 /nfs/dbraw/zinc/86/33/76/1254863376.db2.gz INZHHINHZRMQKT-USXIJHARSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679160 1254863396 /nfs/dbraw/zinc/86/33/96/1254863396.db2.gz INZHHINHZRMQKT-USXIJHARSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679160 1254863404 /nfs/dbraw/zinc/86/34/04/1254863404.db2.gz INZHHINHZRMQKT-USXIJHARSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@H]2O)C1 ZINC001077679160 1254863414 /nfs/dbraw/zinc/86/34/14/1254863414.db2.gz INZHHINHZRMQKT-USXIJHARSA-N 2 2 361.490 0.151 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)cn1 ZINC001077680724 1254867206 /nfs/dbraw/zinc/86/72/06/1254867206.db2.gz UOXZYAMCSWOTHH-IIDMSEBBSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)cn1 ZINC001077680724 1254867218 /nfs/dbraw/zinc/86/72/18/1254867218.db2.gz UOXZYAMCSWOTHH-IIDMSEBBSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)cn1 ZINC001077680724 1254867228 /nfs/dbraw/zinc/86/72/28/1254867228.db2.gz UOXZYAMCSWOTHH-IIDMSEBBSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)cn1 ZINC001077680724 1254867236 /nfs/dbraw/zinc/86/72/36/1254867236.db2.gz UOXZYAMCSWOTHH-IIDMSEBBSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077698027 1254898123 /nfs/dbraw/zinc/89/81/23/1254898123.db2.gz NIFHJRPMHLJVNM-YWTNHNAXSA-N 2 2 370.453 0.377 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001077698027 1254898127 /nfs/dbraw/zinc/89/81/27/1254898127.db2.gz NIFHJRPMHLJVNM-YWTNHNAXSA-N 2 2 370.453 0.377 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077777265 1254978542 /nfs/dbraw/zinc/97/85/42/1254978542.db2.gz DWDHTYTTXJOVNV-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001077777265 1254978555 /nfs/dbraw/zinc/97/85/55/1254978555.db2.gz DWDHTYTTXJOVNV-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077777265 1254978575 /nfs/dbraw/zinc/97/85/75/1254978575.db2.gz DWDHTYTTXJOVNV-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001077777265 1254978581 /nfs/dbraw/zinc/97/85/81/1254978581.db2.gz DWDHTYTTXJOVNV-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077779522 1254981085 /nfs/dbraw/zinc/98/10/85/1254981085.db2.gz SEXLRJMWWUIMRJ-ZTFGCOKTSA-N 2 2 361.490 0.739 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077779522 1254981091 /nfs/dbraw/zinc/98/10/91/1254981091.db2.gz SEXLRJMWWUIMRJ-ZTFGCOKTSA-N 2 2 361.490 0.739 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077902941 1255082164 /nfs/dbraw/zinc/08/21/64/1255082164.db2.gz CTMVCAFFZSAWTH-KZNAEPCWSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077902941 1255082173 /nfs/dbraw/zinc/08/21/73/1255082173.db2.gz CTMVCAFFZSAWTH-KZNAEPCWSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077902942 1255082565 /nfs/dbraw/zinc/08/25/65/1255082565.db2.gz CTMVCAFFZSAWTH-RCCFBDPRSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077902942 1255082573 /nfs/dbraw/zinc/08/25/73/1255082573.db2.gz CTMVCAFFZSAWTH-RCCFBDPRSA-N 2 2 371.441 0.611 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)o1 ZINC001077978576 1255142710 /nfs/dbraw/zinc/14/27/10/1255142710.db2.gz KCLKPJWRILTACQ-QZTJIDSGSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)o1 ZINC001077978576 1255142713 /nfs/dbraw/zinc/14/27/13/1255142713.db2.gz KCLKPJWRILTACQ-QZTJIDSGSA-N 2 2 362.474 0.766 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)c1ccccc1 ZINC001078009835 1255166211 /nfs/dbraw/zinc/16/62/11/1255166211.db2.gz UYNWQRFLUQZJFD-KZNAEPCWSA-N 2 2 358.442 0.512 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1)c1ccccc1 ZINC001078009835 1255166217 /nfs/dbraw/zinc/16/62/17/1255166217.db2.gz UYNWQRFLUQZJFD-KZNAEPCWSA-N 2 2 358.442 0.512 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175917 1255290868 /nfs/dbraw/zinc/29/08/68/1255290868.db2.gz SJQGTIZMRQBSJU-ATZDWAIDSA-N 2 2 370.453 0.955 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175917 1255290876 /nfs/dbraw/zinc/29/08/76/1255290876.db2.gz SJQGTIZMRQBSJU-ATZDWAIDSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175917 1255290887 /nfs/dbraw/zinc/29/08/87/1255290887.db2.gz SJQGTIZMRQBSJU-ATZDWAIDSA-N 2 2 370.453 0.955 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@H]2O)C1 ZINC001078175917 1255290893 /nfs/dbraw/zinc/29/08/93/1255290893.db2.gz SJQGTIZMRQBSJU-ATZDWAIDSA-N 2 2 370.453 0.955 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180008 1255295628 /nfs/dbraw/zinc/29/56/28/1255295628.db2.gz ISKCZEMHZNPXOZ-QZTJIDSGSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078180008 1255295630 /nfs/dbraw/zinc/29/56/30/1255295630.db2.gz ISKCZEMHZNPXOZ-QZTJIDSGSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001078182325 1255298963 /nfs/dbraw/zinc/29/89/63/1255298963.db2.gz PSOPMBCDDITVAJ-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@H]1O ZINC001078182325 1255298967 /nfs/dbraw/zinc/29/89/67/1255298967.db2.gz PSOPMBCDDITVAJ-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@H]2O)C1 ZINC001078209919 1255324627 /nfs/dbraw/zinc/32/46/27/1255324627.db2.gz OCEKMELJHOQPGB-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@H]2O)C1 ZINC001078209919 1255324635 /nfs/dbraw/zinc/32/46/35/1255324635.db2.gz OCEKMELJHOQPGB-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3F)C[C@H]2O)C1 ZINC001078209919 1255324642 /nfs/dbraw/zinc/32/46/42/1255324642.db2.gz OCEKMELJHOQPGB-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@H]2O)C1 ZINC001078209919 1255324650 /nfs/dbraw/zinc/32/46/50/1255324650.db2.gz OCEKMELJHOQPGB-KZNAEPCWSA-N 2 2 365.449 0.250 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229469 1255343044 /nfs/dbraw/zinc/34/30/44/1255343044.db2.gz KEDHYCWLOKDNJN-FGTMMUONSA-N 2 2 363.506 0.536 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229469 1255343052 /nfs/dbraw/zinc/34/30/52/1255343052.db2.gz KEDHYCWLOKDNJN-FGTMMUONSA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229469 1255343060 /nfs/dbraw/zinc/34/30/60/1255343060.db2.gz KEDHYCWLOKDNJN-FGTMMUONSA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229469 1255343068 /nfs/dbraw/zinc/34/30/68/1255343068.db2.gz KEDHYCWLOKDNJN-FGTMMUONSA-N 2 2 363.506 0.536 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229470 1255343585 /nfs/dbraw/zinc/34/35/85/1255343585.db2.gz KEDHYCWLOKDNJN-KZNAEPCWSA-N 2 2 363.506 0.536 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229470 1255343593 /nfs/dbraw/zinc/34/35/93/1255343593.db2.gz KEDHYCWLOKDNJN-KZNAEPCWSA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229470 1255343602 /nfs/dbraw/zinc/34/36/02/1255343602.db2.gz KEDHYCWLOKDNJN-KZNAEPCWSA-N 2 2 363.506 0.536 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1O ZINC001078229470 1255343609 /nfs/dbraw/zinc/34/36/09/1255343609.db2.gz KEDHYCWLOKDNJN-KZNAEPCWSA-N 2 2 363.506 0.536 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078270682 1255375571 /nfs/dbraw/zinc/37/55/71/1255375571.db2.gz IZNJKAIQOFCUTD-ATZDWAIDSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078270682 1255375578 /nfs/dbraw/zinc/37/55/78/1255375578.db2.gz IZNJKAIQOFCUTD-ATZDWAIDSA-N 2 2 354.454 0.850 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)no1 ZINC001078417503 1255410893 /nfs/dbraw/zinc/41/08/93/1255410893.db2.gz DDZUQUZDCMMFGG-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)no1 ZINC001078417503 1255410896 /nfs/dbraw/zinc/41/08/96/1255410896.db2.gz DDZUQUZDCMMFGG-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP C[C@H](O)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270115 1255496076 /nfs/dbraw/zinc/49/60/76/1255496076.db2.gz BGIWYAQYUUFRGR-BHYGNILZSA-N 2 2 362.474 0.283 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F)C(N)=O ZINC001079311755 1255506094 /nfs/dbraw/zinc/50/60/94/1255506094.db2.gz ANRZUUYAYBSOOG-DIOULYMOSA-N 2 2 359.405 0.549 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717444 1255585200 /nfs/dbraw/zinc/58/52/00/1255585200.db2.gz IVJWPKMEDXEGKR-RHSMWYFYSA-N 2 2 359.478 0.429 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717444 1255585208 /nfs/dbraw/zinc/58/52/08/1255585208.db2.gz IVJWPKMEDXEGKR-RHSMWYFYSA-N 2 2 359.478 0.429 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001079950213 1255677232 /nfs/dbraw/zinc/67/72/32/1255677232.db2.gz HPSJNRZTBIPHMT-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001079950213 1255677238 /nfs/dbraw/zinc/67/72/38/1255677238.db2.gz HPSJNRZTBIPHMT-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001079950213 1255677244 /nfs/dbraw/zinc/67/72/44/1255677244.db2.gz HPSJNRZTBIPHMT-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001079950213 1255677250 /nfs/dbraw/zinc/67/72/50/1255677250.db2.gz HPSJNRZTBIPHMT-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991244 1255697335 /nfs/dbraw/zinc/69/73/35/1255697335.db2.gz BAQHGUZBAAIXFY-UWWQBHOKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991244 1255697340 /nfs/dbraw/zinc/69/73/40/1255697340.db2.gz BAQHGUZBAAIXFY-UWWQBHOKSA-N 2 2 356.474 0.858 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001080139635 1255757517 /nfs/dbraw/zinc/75/75/17/1255757517.db2.gz OJVPICCJCKIBPA-CXAGYDPISA-N 2 2 355.442 0.927 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001080139635 1255757525 /nfs/dbraw/zinc/75/75/25/1255757525.db2.gz OJVPICCJCKIBPA-CXAGYDPISA-N 2 2 355.442 0.927 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310818 1255836330 /nfs/dbraw/zinc/83/63/30/1255836330.db2.gz GDEZGMRRCZVMLM-QLFBSQMISA-N 2 2 364.494 0.167 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310818 1255836338 /nfs/dbraw/zinc/83/63/38/1255836338.db2.gz GDEZGMRRCZVMLM-QLFBSQMISA-N 2 2 364.494 0.167 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310818 1255836348 /nfs/dbraw/zinc/83/63/48/1255836348.db2.gz GDEZGMRRCZVMLM-QLFBSQMISA-N 2 2 364.494 0.167 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310818 1255836357 /nfs/dbraw/zinc/83/63/57/1255836357.db2.gz GDEZGMRRCZVMLM-QLFBSQMISA-N 2 2 364.494 0.167 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)cn1 ZINC001080324866 1255842009 /nfs/dbraw/zinc/84/20/09/1255842009.db2.gz HFWOPOMKIBZAFX-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)cn1 ZINC001080324866 1255842021 /nfs/dbraw/zinc/84/20/21/1255842021.db2.gz HFWOPOMKIBZAFX-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324866 1255842032 /nfs/dbraw/zinc/84/20/32/1255842032.db2.gz HFWOPOMKIBZAFX-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324866 1255842044 /nfs/dbraw/zinc/84/20/44/1255842044.db2.gz HFWOPOMKIBZAFX-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080324792 1255843277 /nfs/dbraw/zinc/84/32/77/1255843277.db2.gz CSKLQILIXBTSRA-QGPMSJSTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080324792 1255843287 /nfs/dbraw/zinc/84/32/87/1255843287.db2.gz CSKLQILIXBTSRA-QGPMSJSTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324792 1255843304 /nfs/dbraw/zinc/84/33/04/1255843304.db2.gz CSKLQILIXBTSRA-QGPMSJSTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324792 1255843313 /nfs/dbraw/zinc/84/33/13/1255843313.db2.gz CSKLQILIXBTSRA-QGPMSJSTSA-N 2 2 361.490 0.831 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782785 1256036622 /nfs/dbraw/zinc/03/66/22/1256036622.db2.gz BDHGUWCBEBYAAR-CXAGYDPISA-N 2 2 355.442 0.698 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782785 1256036630 /nfs/dbraw/zinc/03/66/30/1256036630.db2.gz BDHGUWCBEBYAAR-CXAGYDPISA-N 2 2 355.442 0.698 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1=O ZINC001080947810 1256107544 /nfs/dbraw/zinc/10/75/44/1256107544.db2.gz NYQSDXOGHJHQPK-IUODEOHRSA-N 2 2 360.414 0.790 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1=O ZINC001080947810 1256107550 /nfs/dbraw/zinc/10/75/50/1256107550.db2.gz NYQSDXOGHJHQPK-IUODEOHRSA-N 2 2 360.414 0.790 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080947824 1256107839 /nfs/dbraw/zinc/10/78/39/1256107839.db2.gz OQOSYMNIUAJJNH-KBRIMQKVSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080947824 1256107843 /nfs/dbraw/zinc/10/78/43/1256107843.db2.gz OQOSYMNIUAJJNH-KBRIMQKVSA-N 2 2 359.474 0.781 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081189408 1256201423 /nfs/dbraw/zinc/20/14/23/1256201423.db2.gz UBJDKUKHFUVNQP-GVDBMIGSSA-N 2 2 353.426 0.425 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081213953 1256208624 /nfs/dbraw/zinc/20/86/24/1256208624.db2.gz XLZOEWTVBJGDIP-RCCFBDPRSA-N 2 2 367.453 0.435 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001081219148 1256210186 /nfs/dbraw/zinc/21/01/86/1256210186.db2.gz NFHZMBFDIUYKDN-LZLYRXPVSA-N 2 2 367.453 0.733 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481650 1256270974 /nfs/dbraw/zinc/27/09/74/1256270974.db2.gz PUOAWIKTYLJNHH-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481650 1256270976 /nfs/dbraw/zinc/27/09/76/1256270976.db2.gz PUOAWIKTYLJNHH-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481650 1256270979 /nfs/dbraw/zinc/27/09/79/1256270979.db2.gz PUOAWIKTYLJNHH-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481650 1256270981 /nfs/dbraw/zinc/27/09/81/1256270981.db2.gz PUOAWIKTYLJNHH-QRVBRYPASA-N 2 2 361.486 0.895 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670482 1256329406 /nfs/dbraw/zinc/32/94/06/1256329406.db2.gz VUSOKLRMSRFTPG-RCCFBDPRSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670482 1256329411 /nfs/dbraw/zinc/32/94/11/1256329411.db2.gz VUSOKLRMSRFTPG-RCCFBDPRSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001081707657 1256340574 /nfs/dbraw/zinc/34/05/74/1256340574.db2.gz PGWBVQMMJAATEH-DJIMGWMZSA-N 2 2 362.474 0.614 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001081707657 1256340580 /nfs/dbraw/zinc/34/05/80/1256340580.db2.gz PGWBVQMMJAATEH-DJIMGWMZSA-N 2 2 362.474 0.614 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001081883417 1256429539 /nfs/dbraw/zinc/42/95/39/1256429539.db2.gz HBUNJTNVLPMSLF-KZNAEPCWSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001081883417 1256429542 /nfs/dbraw/zinc/42/95/42/1256429542.db2.gz HBUNJTNVLPMSLF-KZNAEPCWSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001081883417 1256429546 /nfs/dbraw/zinc/42/95/46/1256429546.db2.gz HBUNJTNVLPMSLF-KZNAEPCWSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001081883417 1256429548 /nfs/dbraw/zinc/42/95/48/1256429548.db2.gz HBUNJTNVLPMSLF-KZNAEPCWSA-N 2 2 363.506 0.856 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949485 1256469400 /nfs/dbraw/zinc/46/94/00/1256469400.db2.gz RDRKWOKAIDXKLZ-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949485 1256469403 /nfs/dbraw/zinc/46/94/03/1256469403.db2.gz RDRKWOKAIDXKLZ-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949169 1256469478 /nfs/dbraw/zinc/46/94/78/1256469478.db2.gz BDXPERPFFNMXHE-HUUCEWRRSA-N 2 2 362.434 0.331 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949169 1256469479 /nfs/dbraw/zinc/46/94/79/1256469479.db2.gz BDXPERPFFNMXHE-HUUCEWRRSA-N 2 2 362.434 0.331 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001081981143 1256482450 /nfs/dbraw/zinc/48/24/50/1256482450.db2.gz VVPRXBLRPOCSRO-KBRIMQKVSA-N 2 2 362.474 0.094 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001081981143 1256482454 /nfs/dbraw/zinc/48/24/54/1256482454.db2.gz VVPRXBLRPOCSRO-KBRIMQKVSA-N 2 2 362.474 0.094 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052472 1256511730 /nfs/dbraw/zinc/51/17/30/1256511730.db2.gz FGHOQKBCOGONPD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052472 1256511733 /nfs/dbraw/zinc/51/17/33/1256511733.db2.gz FGHOQKBCOGONPD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052472 1256511737 /nfs/dbraw/zinc/51/17/37/1256511737.db2.gz FGHOQKBCOGONPD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2OC)C1 ZINC001082052472 1256511744 /nfs/dbraw/zinc/51/17/44/1256511744.db2.gz FGHOQKBCOGONPD-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2OC)C1 ZINC001082053038 1256512197 /nfs/dbraw/zinc/51/21/97/1256512197.db2.gz VCESAUCBEKIZPS-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@H]2OC)C1 ZINC001082053038 1256512205 /nfs/dbraw/zinc/51/22/05/1256512205.db2.gz VCESAUCBEKIZPS-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2OC)C1 ZINC001082053038 1256512211 /nfs/dbraw/zinc/51/22/11/1256512211.db2.gz VCESAUCBEKIZPS-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2OC)C1 ZINC001082053038 1256512215 /nfs/dbraw/zinc/51/22/15/1256512215.db2.gz VCESAUCBEKIZPS-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072592 1256522566 /nfs/dbraw/zinc/52/25/66/1256522566.db2.gz AHORHYFUDIIPRA-HZPDHXFCSA-N 2 2 361.446 0.667 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072592 1256522569 /nfs/dbraw/zinc/52/25/69/1256522569.db2.gz AHORHYFUDIIPRA-HZPDHXFCSA-N 2 2 361.446 0.667 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271460 1256622315 /nfs/dbraw/zinc/62/23/15/1256622315.db2.gz BGZDRJPHPUTAJT-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271460 1256622320 /nfs/dbraw/zinc/62/23/20/1256622320.db2.gz BGZDRJPHPUTAJT-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291499 1256636749 /nfs/dbraw/zinc/63/67/49/1256636749.db2.gz VPFXQDLJWHOZPB-DJIMGWMZSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291499 1256636756 /nfs/dbraw/zinc/63/67/56/1256636756.db2.gz VPFXQDLJWHOZPB-DJIMGWMZSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001082296510 1256640304 /nfs/dbraw/zinc/64/03/04/1256640304.db2.gz SZLLVJPZVBKJEK-BMGDILEWSA-N 2 2 371.441 0.733 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001082296510 1256640312 /nfs/dbraw/zinc/64/03/12/1256640312.db2.gz SZLLVJPZVBKJEK-BMGDILEWSA-N 2 2 371.441 0.733 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328872 1256671469 /nfs/dbraw/zinc/67/14/69/1256671469.db2.gz PKYLLAJKFFWXAF-USXIJHARSA-N 2 2 359.474 0.757 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328872 1256671475 /nfs/dbraw/zinc/67/14/75/1256671475.db2.gz PKYLLAJKFFWXAF-USXIJHARSA-N 2 2 359.474 0.757 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345923 1256689600 /nfs/dbraw/zinc/68/96/00/1256689600.db2.gz IHKMPGBCZLZEIM-IAGOWNOFSA-N 2 2 360.462 0.590 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345923 1256689605 /nfs/dbraw/zinc/68/96/05/1256689605.db2.gz IHKMPGBCZLZEIM-IAGOWNOFSA-N 2 2 360.462 0.590 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369340 1256718164 /nfs/dbraw/zinc/71/81/64/1256718164.db2.gz JDLIUQIHZFMJAY-BMGDILEWSA-N 2 2 365.449 0.585 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369340 1256718166 /nfs/dbraw/zinc/71/81/66/1256718166.db2.gz JDLIUQIHZFMJAY-BMGDILEWSA-N 2 2 365.449 0.585 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369340 1256718170 /nfs/dbraw/zinc/71/81/70/1256718170.db2.gz JDLIUQIHZFMJAY-BMGDILEWSA-N 2 2 365.449 0.585 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369340 1256718176 /nfs/dbraw/zinc/71/81/76/1256718176.db2.gz JDLIUQIHZFMJAY-BMGDILEWSA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC001082459076 1256769976 /nfs/dbraw/zinc/76/99/76/1256769976.db2.gz KSRYXIQLQQSANL-XWIAVFTESA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC001082459076 1256769984 /nfs/dbraw/zinc/76/99/84/1256769984.db2.gz KSRYXIQLQQSANL-XWIAVFTESA-N 2 2 365.449 0.585 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+][C@@H]4CCCNC4=O)C3)ccn12 ZINC001082511737 1256796732 /nfs/dbraw/zinc/79/67/32/1256796732.db2.gz OCMLZRLHQCBYEW-DAXOMENPSA-N 2 2 355.442 0.971 20 0 FCADLP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C)C1=O ZINC001082588891 1256902850 /nfs/dbraw/zinc/90/28/50/1256902850.db2.gz VPTXAJDUYYRKKO-VNQPRFMTSA-N 2 2 361.490 0.984 20 0 FCADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590404 1256903805 /nfs/dbraw/zinc/90/38/05/1256903805.db2.gz VBGMUNLDIRPFCB-KBUPBQIOSA-N 2 2 365.478 0.849 20 0 FCADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590404 1256903811 /nfs/dbraw/zinc/90/38/11/1256903811.db2.gz VBGMUNLDIRPFCB-KBUPBQIOSA-N 2 2 365.478 0.849 20 0 FCADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590117 1256903836 /nfs/dbraw/zinc/90/38/36/1256903836.db2.gz CVSKVNXRZXUBGW-KBUPBQIOSA-N 2 2 365.478 0.678 20 0 FCADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590117 1256903842 /nfs/dbraw/zinc/90/38/42/1256903842.db2.gz CVSKVNXRZXUBGW-KBUPBQIOSA-N 2 2 365.478 0.678 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082601083 1256911807 /nfs/dbraw/zinc/91/18/07/1256911807.db2.gz LNYDPZMRSZQBBN-IIDMSEBBSA-N 2 2 356.474 0.858 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001082601247 1256912031 /nfs/dbraw/zinc/91/20/31/1256912031.db2.gz RUCVUEKUSUYNTD-JKIFEVAISA-N 2 2 370.457 0.881 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001082646294 1256951354 /nfs/dbraw/zinc/95/13/54/1256951354.db2.gz KFLSKBNWWXDANV-KWCYVHTRSA-N 2 2 362.434 0.919 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082647955 1256951875 /nfs/dbraw/zinc/95/18/75/1256951875.db2.gz QIIDSIYKOIXHMM-UKRRQHHQSA-N 2 2 357.462 0.527 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001082658953 1256962968 /nfs/dbraw/zinc/96/29/68/1256962968.db2.gz JUMVVFWUIZSFBE-UKRRQHHQSA-N 2 2 359.478 0.909 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001082673373 1256972084 /nfs/dbraw/zinc/97/20/84/1256972084.db2.gz JXIJSNFAYGDDQF-GVDBMIGSSA-N 2 2 361.490 0.968 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cn(C)nn3)C1)CC2 ZINC001082708804 1257002157 /nfs/dbraw/zinc/00/21/57/1257002157.db2.gz ONQMATKGAZYFSH-SUYBPPKGSA-N 2 2 357.462 0.519 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082732685 1257014292 /nfs/dbraw/zinc/01/42/92/1257014292.db2.gz QXRQFAVUDNTDML-IIAWOOMASA-N 2 2 359.474 0.889 20 0 FCADLP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c1 ZINC001082766959 1257040609 /nfs/dbraw/zinc/04/06/09/1257040609.db2.gz KOJROACHIKIFHB-CXAGYDPISA-N 2 2 355.442 0.949 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C)n1 ZINC001082795706 1257058443 /nfs/dbraw/zinc/05/84/43/1257058443.db2.gz DHVRWXUFQIPZIL-PBFPGSCMSA-N 2 2 359.478 0.933 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001082795706 1257058452 /nfs/dbraw/zinc/05/84/52/1257058452.db2.gz DHVRWXUFQIPZIL-PBFPGSCMSA-N 2 2 359.478 0.933 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082807452 1257066084 /nfs/dbraw/zinc/06/60/84/1257066084.db2.gz JEVMAOKTQMIBAV-RBSFLKMASA-N 2 2 365.478 0.852 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082823602 1257081205 /nfs/dbraw/zinc/08/12/05/1257081205.db2.gz ABSTUZRVHRIRKI-BXUZGUMPSA-N 2 2 356.430 0.962 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082856328 1257106564 /nfs/dbraw/zinc/10/65/64/1257106564.db2.gz BZQMOWKYIGPZJB-KBRIMQKVSA-N 2 2 368.441 0.548 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001082893015 1257128723 /nfs/dbraw/zinc/12/87/23/1257128723.db2.gz FQKCZGOCKFNLBO-GDBMZVCRSA-N 2 2 359.478 0.991 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1C ZINC001082933949 1257154592 /nfs/dbraw/zinc/15/45/92/1257154592.db2.gz QDDKMNZXNITGOX-KFWWJZLASA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1C ZINC001082933949 1257154595 /nfs/dbraw/zinc/15/45/95/1257154595.db2.gz QDDKMNZXNITGOX-KFWWJZLASA-N 2 2 364.494 0.035 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001082935030 1257156302 /nfs/dbraw/zinc/15/63/02/1257156302.db2.gz HEDDGPKMJRRUAN-MGPQQGTHSA-N 2 2 371.432 0.935 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001082935030 1257156307 /nfs/dbraw/zinc/15/63/07/1257156307.db2.gz HEDDGPKMJRRUAN-MGPQQGTHSA-N 2 2 371.432 0.935 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)C1 ZINC001082934724 1257156450 /nfs/dbraw/zinc/15/64/50/1257156450.db2.gz WJNMPPVHKUZXPE-FVQBIDKESA-N 2 2 363.462 0.142 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)C1 ZINC001082934724 1257156454 /nfs/dbraw/zinc/15/64/54/1257156454.db2.gz WJNMPPVHKUZXPE-FVQBIDKESA-N 2 2 363.462 0.142 20 0 FCADLP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC001082957639 1257168241 /nfs/dbraw/zinc/16/82/41/1257168241.db2.gz VJQRTABRNBYADI-RHSMWYFYSA-N 2 2 355.442 0.879 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)n1 ZINC001083024420 1257213737 /nfs/dbraw/zinc/21/37/37/1257213737.db2.gz MYCXKXYAPHLBRQ-OKZBNKHCSA-N 2 2 361.490 0.506 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)n1 ZINC001083024420 1257213741 /nfs/dbraw/zinc/21/37/41/1257213741.db2.gz MYCXKXYAPHLBRQ-OKZBNKHCSA-N 2 2 361.490 0.506 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024420 1257213747 /nfs/dbraw/zinc/21/37/47/1257213747.db2.gz MYCXKXYAPHLBRQ-OKZBNKHCSA-N 2 2 361.490 0.506 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024420 1257213749 /nfs/dbraw/zinc/21/37/49/1257213749.db2.gz MYCXKXYAPHLBRQ-OKZBNKHCSA-N 2 2 361.490 0.506 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083084228 1257285240 /nfs/dbraw/zinc/28/52/40/1257285240.db2.gz FMOIHJFHHXNAAG-ZJPYXAASSA-N 2 2 374.485 0.448 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083084228 1257285246 /nfs/dbraw/zinc/28/52/46/1257285246.db2.gz FMOIHJFHHXNAAG-ZJPYXAASSA-N 2 2 374.485 0.448 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085918 1257288331 /nfs/dbraw/zinc/28/83/31/1257288331.db2.gz UCASVPRHELRSLW-XYVMCAHJSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085918 1257288335 /nfs/dbraw/zinc/28/83/35/1257288335.db2.gz UCASVPRHELRSLW-XYVMCAHJSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085918 1257288338 /nfs/dbraw/zinc/28/83/38/1257288338.db2.gz UCASVPRHELRSLW-XYVMCAHJSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085918 1257288341 /nfs/dbraw/zinc/28/83/41/1257288341.db2.gz UCASVPRHELRSLW-XYVMCAHJSA-N 2 2 359.474 0.537 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCO1 ZINC001330830205 1266105372 /nfs/dbraw/zinc/10/53/72/1266105372.db2.gz CYPDYLVBTNQXNR-BQFCYCMXSA-N 2 2 374.485 0.466 20 0 FCADLP C[N@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21)C1CCC1 ZINC001083106561 1257319843 /nfs/dbraw/zinc/31/98/43/1257319843.db2.gz KCDCNDPSOOTCQX-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21)C1CCC1 ZINC001083106561 1257319853 /nfs/dbraw/zinc/31/98/53/1257319853.db2.gz KCDCNDPSOOTCQX-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21)C1CCC1 ZINC001083106561 1257319859 /nfs/dbraw/zinc/31/98/59/1257319859.db2.gz KCDCNDPSOOTCQX-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP C[NH+](CC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21)C1CCC1 ZINC001083106561 1257319868 /nfs/dbraw/zinc/31/98/68/1257319868.db2.gz KCDCNDPSOOTCQX-DLBZAZTESA-N 2 2 364.490 0.005 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106338 1257319925 /nfs/dbraw/zinc/31/99/25/1257319925.db2.gz WNHNELTUYQOVHP-ZWKOTPCHSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106338 1257319934 /nfs/dbraw/zinc/31/99/34/1257319934.db2.gz WNHNELTUYQOVHP-ZWKOTPCHSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106338 1257319942 /nfs/dbraw/zinc/31/99/42/1257319942.db2.gz WNHNELTUYQOVHP-ZWKOTPCHSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106338 1257319949 /nfs/dbraw/zinc/31/99/49/1257319949.db2.gz WNHNELTUYQOVHP-ZWKOTPCHSA-N 2 2 361.490 0.624 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110668 1257333118 /nfs/dbraw/zinc/33/31/18/1257333118.db2.gz OHWBFSKDAPBEMP-BPQIPLTHSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110668 1257333128 /nfs/dbraw/zinc/33/31/28/1257333128.db2.gz OHWBFSKDAPBEMP-BPQIPLTHSA-N 2 2 361.490 0.706 20 0 FCADLP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21 ZINC001083144531 1257399479 /nfs/dbraw/zinc/39/94/79/1257399479.db2.gz LMAWFIJZDGIEPL-DLBZAZTESA-N 2 2 367.413 0.151 20 0 FCADLP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21 ZINC001083144531 1257399486 /nfs/dbraw/zinc/39/94/86/1257399486.db2.gz LMAWFIJZDGIEPL-DLBZAZTESA-N 2 2 367.413 0.151 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083144215 1257399895 /nfs/dbraw/zinc/39/98/95/1257399895.db2.gz UYHBUIJWHOHZHP-RBUKOAKNSA-N 2 2 370.453 0.796 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083144215 1257399899 /nfs/dbraw/zinc/39/98/99/1257399899.db2.gz UYHBUIJWHOHZHP-RBUKOAKNSA-N 2 2 370.453 0.796 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145541 1257401162 /nfs/dbraw/zinc/40/11/62/1257401162.db2.gz NWWJGYMGGNBKEA-JCGIZDLHSA-N 2 2 362.474 0.708 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145541 1257401165 /nfs/dbraw/zinc/40/11/65/1257401165.db2.gz NWWJGYMGGNBKEA-JCGIZDLHSA-N 2 2 362.474 0.708 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750012 1257488705 /nfs/dbraw/zinc/48/87/05/1257488705.db2.gz BLRJZMPBJPKNET-SJORKVTESA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750012 1257488709 /nfs/dbraw/zinc/48/87/09/1257488709.db2.gz BLRJZMPBJPKNET-SJORKVTESA-N 2 2 365.449 0.837 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001083769508 1257507571 /nfs/dbraw/zinc/50/75/71/1257507571.db2.gz XMXBHLVKXIMHAR-UAGQMJEPSA-N 2 2 362.474 0.808 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001083769508 1257507577 /nfs/dbraw/zinc/50/75/77/1257507577.db2.gz XMXBHLVKXIMHAR-UAGQMJEPSA-N 2 2 362.474 0.808 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778083 1257517904 /nfs/dbraw/zinc/51/79/04/1257517904.db2.gz ADVSSHCKPADTTI-KYNGSXCRSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778083 1257517909 /nfs/dbraw/zinc/51/79/09/1257517909.db2.gz ADVSSHCKPADTTI-KYNGSXCRSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778083 1257517911 /nfs/dbraw/zinc/51/79/11/1257517911.db2.gz ADVSSHCKPADTTI-KYNGSXCRSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778083 1257517915 /nfs/dbraw/zinc/51/79/15/1257517915.db2.gz ADVSSHCKPADTTI-KYNGSXCRSA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780744 1257524406 /nfs/dbraw/zinc/52/44/06/1257524406.db2.gz INZHHINHZRMQKT-UAGQMJEPSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780744 1257524409 /nfs/dbraw/zinc/52/44/09/1257524409.db2.gz INZHHINHZRMQKT-UAGQMJEPSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780744 1257524414 /nfs/dbraw/zinc/52/44/14/1257524414.db2.gz INZHHINHZRMQKT-UAGQMJEPSA-N 2 2 361.490 0.151 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccnc(N(C)C)c3)C[C@@H]2O)C1 ZINC001083780744 1257524420 /nfs/dbraw/zinc/52/44/20/1257524420.db2.gz INZHHINHZRMQKT-UAGQMJEPSA-N 2 2 361.490 0.151 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCSCCC[NH3+])CC1 ZINC001521425249 1266120857 /nfs/dbraw/zinc/12/08/57/1266120857.db2.gz WJHRNDHQKWEPAJ-UHFFFAOYSA-N 2 2 363.491 0.484 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083826267 1257576813 /nfs/dbraw/zinc/57/68/13/1257576813.db2.gz JZQQCOXYPYPATP-XHSDSOJGSA-N 2 2 364.490 0.983 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083826267 1257576818 /nfs/dbraw/zinc/57/68/18/1257576818.db2.gz JZQQCOXYPYPATP-XHSDSOJGSA-N 2 2 364.490 0.983 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083826266 1257577339 /nfs/dbraw/zinc/57/73/39/1257577339.db2.gz JZQQCOXYPYPATP-OAGGEKHMSA-N 2 2 364.490 0.983 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083826266 1257577342 /nfs/dbraw/zinc/57/73/42/1257577342.db2.gz JZQQCOXYPYPATP-OAGGEKHMSA-N 2 2 364.490 0.983 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915446 1257697904 /nfs/dbraw/zinc/69/79/04/1257697904.db2.gz RRAWZVGMRFAWBB-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915446 1257697910 /nfs/dbraw/zinc/69/79/10/1257697910.db2.gz RRAWZVGMRFAWBB-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)cn1 ZINC001083937102 1257723448 /nfs/dbraw/zinc/72/34/48/1257723448.db2.gz MNMRHWNGMKHIRO-MSOLQXFVSA-N 2 2 361.490 0.203 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)cn1 ZINC001083937102 1257723452 /nfs/dbraw/zinc/72/34/52/1257723452.db2.gz MNMRHWNGMKHIRO-MSOLQXFVSA-N 2 2 361.490 0.203 20 0 FCADLP COc1cccc([C@H](C)[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954099 1257742355 /nfs/dbraw/zinc/74/23/55/1257742355.db2.gz KPFTZSRXBHTYGK-VHSSKADRSA-N 2 2 358.442 0.894 20 0 FCADLP COc1cccc([C@H](C)[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954099 1257742360 /nfs/dbraw/zinc/74/23/60/1257742360.db2.gz KPFTZSRXBHTYGK-VHSSKADRSA-N 2 2 358.442 0.894 20 0 FCADLP COc1cccc([C@@H](C)[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954100 1257742501 /nfs/dbraw/zinc/74/25/01/1257742501.db2.gz KPFTZSRXBHTYGK-XWIAVFTESA-N 2 2 358.442 0.894 20 0 FCADLP COc1cccc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954100 1257742510 /nfs/dbraw/zinc/74/25/10/1257742510.db2.gz KPFTZSRXBHTYGK-XWIAVFTESA-N 2 2 358.442 0.894 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1C ZINC001083954370 1257742994 /nfs/dbraw/zinc/74/29/94/1257742994.db2.gz XAFFNQRFQJPBRY-SJORKVTESA-N 2 2 358.442 0.641 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1C ZINC001083954370 1257742997 /nfs/dbraw/zinc/74/29/97/1257742997.db2.gz XAFFNQRFQJPBRY-SJORKVTESA-N 2 2 358.442 0.641 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954822 1257744323 /nfs/dbraw/zinc/74/43/23/1257744323.db2.gz KLHSYFDHXUUHDI-UAGQMJEPSA-N 2 2 363.506 0.641 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954822 1257744326 /nfs/dbraw/zinc/74/43/26/1257744326.db2.gz KLHSYFDHXUUHDI-UAGQMJEPSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954822 1257744329 /nfs/dbraw/zinc/74/43/29/1257744329.db2.gz KLHSYFDHXUUHDI-UAGQMJEPSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)C1 ZINC001083954822 1257744331 /nfs/dbraw/zinc/74/43/31/1257744331.db2.gz KLHSYFDHXUUHDI-UAGQMJEPSA-N 2 2 363.506 0.641 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056785 1257868115 /nfs/dbraw/zinc/86/81/15/1257868115.db2.gz NOMMHKUMOPFDFG-QRQLOZEOSA-N 2 2 369.469 0.485 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056785 1257868119 /nfs/dbraw/zinc/86/81/19/1257868119.db2.gz NOMMHKUMOPFDFG-QRQLOZEOSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056785 1257868124 /nfs/dbraw/zinc/86/81/24/1257868124.db2.gz NOMMHKUMOPFDFG-QRQLOZEOSA-N 2 2 369.469 0.485 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2O)C1 ZINC001084056785 1257868130 /nfs/dbraw/zinc/86/81/30/1257868130.db2.gz NOMMHKUMOPFDFG-QRQLOZEOSA-N 2 2 369.469 0.485 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001084060271 1257878668 /nfs/dbraw/zinc/87/86/68/1257878668.db2.gz PSOPMBCDDITVAJ-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)C[C@@H]1O ZINC001084060271 1257878682 /nfs/dbraw/zinc/87/86/82/1257878682.db2.gz PSOPMBCDDITVAJ-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078136 1257904354 /nfs/dbraw/zinc/90/43/54/1257904354.db2.gz OCEKMELJHOQPGB-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078136 1257904360 /nfs/dbraw/zinc/90/43/60/1257904360.db2.gz OCEKMELJHOQPGB-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078136 1257904366 /nfs/dbraw/zinc/90/43/66/1257904366.db2.gz OCEKMELJHOQPGB-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@@H]2O)C1 ZINC001084078136 1257904372 /nfs/dbraw/zinc/90/43/72/1257904372.db2.gz OCEKMELJHOQPGB-FGTMMUONSA-N 2 2 365.449 0.250 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001084115295 1257933571 /nfs/dbraw/zinc/93/35/71/1257933571.db2.gz GDQWBHJFHXMYRA-MSOLQXFVSA-N 2 2 356.426 0.317 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001084115295 1257933576 /nfs/dbraw/zinc/93/35/76/1257933576.db2.gz GDQWBHJFHXMYRA-MSOLQXFVSA-N 2 2 356.426 0.317 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001521615901 1266150866 /nfs/dbraw/zinc/15/08/66/1266150866.db2.gz GXUVRVHJQGSJMJ-QGZVFWFLSA-N 2 2 355.527 0.375 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251525 1257988516 /nfs/dbraw/zinc/98/85/16/1257988516.db2.gz QPFWOUUCBIJFER-OAGGEKHMSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001084251525 1257988523 /nfs/dbraw/zinc/98/85/23/1257988523.db2.gz QPFWOUUCBIJFER-OAGGEKHMSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251525 1257988529 /nfs/dbraw/zinc/98/85/29/1257988529.db2.gz QPFWOUUCBIJFER-OAGGEKHMSA-N 2 2 363.462 0.174 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001084251525 1257988533 /nfs/dbraw/zinc/98/85/33/1257988533.db2.gz QPFWOUUCBIJFER-OAGGEKHMSA-N 2 2 363.462 0.174 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084349368 1258043042 /nfs/dbraw/zinc/04/30/42/1258043042.db2.gz IPNVGTSUQLUNAA-BPQIPLTHSA-N 2 2 371.485 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084349368 1258043047 /nfs/dbraw/zinc/04/30/47/1258043047.db2.gz IPNVGTSUQLUNAA-BPQIPLTHSA-N 2 2 371.485 0.860 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084404723 1258084970 /nfs/dbraw/zinc/08/49/70/1258084970.db2.gz NGWJOAUXUQJGNU-KURKYZTESA-N 2 2 371.489 0.243 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084404723 1258084973 /nfs/dbraw/zinc/08/49/73/1258084973.db2.gz NGWJOAUXUQJGNU-KURKYZTESA-N 2 2 371.489 0.243 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406291 1258087100 /nfs/dbraw/zinc/08/71/00/1258087100.db2.gz LRQLKNYSTKBDJH-KBAYOESNSA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406291 1258087109 /nfs/dbraw/zinc/08/71/09/1258087109.db2.gz LRQLKNYSTKBDJH-KBAYOESNSA-N 2 2 360.506 0.979 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1C[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084511407 1258145545 /nfs/dbraw/zinc/14/55/45/1258145545.db2.gz WZCVBABEMDRMPN-KBRIMQKVSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1C[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001084511407 1258145550 /nfs/dbraw/zinc/14/55/50/1258145550.db2.gz WZCVBABEMDRMPN-KBRIMQKVSA-N 2 2 366.425 0.302 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001084523628 1258148970 /nfs/dbraw/zinc/14/89/70/1258148970.db2.gz PEPKVCFQUGDPLH-NVXWUHKLSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001084523628 1258148973 /nfs/dbraw/zinc/14/89/73/1258148973.db2.gz PEPKVCFQUGDPLH-NVXWUHKLSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084522910 1258149602 /nfs/dbraw/zinc/14/96/02/1258149602.db2.gz OEPPDGQKFPYPOD-KBAYOESNSA-N 2 2 371.485 0.878 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084522910 1258149607 /nfs/dbraw/zinc/14/96/07/1258149607.db2.gz OEPPDGQKFPYPOD-KBAYOESNSA-N 2 2 371.485 0.878 20 0 FCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532700 1258155215 /nfs/dbraw/zinc/15/52/15/1258155215.db2.gz KKWRSOFNZMVZLJ-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532700 1258155217 /nfs/dbraw/zinc/15/52/17/1258155217.db2.gz KKWRSOFNZMVZLJ-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP Cn1nccc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532700 1258155222 /nfs/dbraw/zinc/15/52/22/1258155222.db2.gz KKWRSOFNZMVZLJ-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP Cn1nccc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532700 1258155226 /nfs/dbraw/zinc/15/52/26/1258155226.db2.gz KKWRSOFNZMVZLJ-IWYTXGCISA-N 2 2 371.485 0.316 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[NH+]1CCCC1 ZINC001084571708 1258179527 /nfs/dbraw/zinc/17/95/27/1258179527.db2.gz AKGBKUHLWSPPLN-RBSFLKMASA-N 2 2 362.474 0.199 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[NH+]1CCCC1 ZINC001084571708 1258179534 /nfs/dbraw/zinc/17/95/34/1258179534.db2.gz AKGBKUHLWSPPLN-RBSFLKMASA-N 2 2 362.474 0.199 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001084629200 1258209509 /nfs/dbraw/zinc/20/95/09/1258209509.db2.gz JXBTUGNKNSASSC-NVXWUHKLSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001084629200 1258209514 /nfs/dbraw/zinc/20/95/14/1258209514.db2.gz JXBTUGNKNSASSC-NVXWUHKLSA-N 2 2 359.474 0.860 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738772 1258281036 /nfs/dbraw/zinc/28/10/36/1258281036.db2.gz BKEMVWXMEIGLHW-LZLYRXPVSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738772 1258281039 /nfs/dbraw/zinc/28/10/39/1258281039.db2.gz BKEMVWXMEIGLHW-LZLYRXPVSA-N 2 2 362.518 0.918 20 0 FCADLP Cn1cncc1C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745393 1258284905 /nfs/dbraw/zinc/28/49/05/1258284905.db2.gz WWMKGSORYIWGAB-CRAIPNDOSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1cncc1C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745393 1258284908 /nfs/dbraw/zinc/28/49/08/1258284908.db2.gz WWMKGSORYIWGAB-CRAIPNDOSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001084805424 1258346886 /nfs/dbraw/zinc/34/68/86/1258346886.db2.gz NHPCJPGLOQFZBK-SJLPKXTDSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001084805424 1258346897 /nfs/dbraw/zinc/34/68/97/1258346897.db2.gz NHPCJPGLOQFZBK-SJLPKXTDSA-N 2 2 356.474 0.862 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084930423 1258444306 /nfs/dbraw/zinc/44/43/06/1258444306.db2.gz JOFHWNAOOBBIQE-CVEARBPZSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084930423 1258444310 /nfs/dbraw/zinc/44/43/10/1258444310.db2.gz JOFHWNAOOBBIQE-CVEARBPZSA-N 2 2 359.474 0.888 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]32)n1 ZINC001084941591 1258454238 /nfs/dbraw/zinc/45/42/38/1258454238.db2.gz RULRGLGPOOXBFT-NJAFHUGGSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]32)n1 ZINC001084941591 1258454242 /nfs/dbraw/zinc/45/42/42/1258454242.db2.gz RULRGLGPOOXBFT-NJAFHUGGSA-N 2 2 358.490 0.580 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncn4C)[C@H]3C2)O1 ZINC001084970057 1258483180 /nfs/dbraw/zinc/48/31/80/1258483180.db2.gz LUJYPTSJABDYIC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncn4C)[C@H]3C2)O1 ZINC001084970057 1258483185 /nfs/dbraw/zinc/48/31/85/1258483185.db2.gz LUJYPTSJABDYIC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cncn4C)[C@H]3C2)O1 ZINC001084970057 1258483187 /nfs/dbraw/zinc/48/31/87/1258483187.db2.gz LUJYPTSJABDYIC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncn4C)[C@H]3C2)O1 ZINC001084970057 1258483189 /nfs/dbraw/zinc/48/31/89/1258483189.db2.gz LUJYPTSJABDYIC-XYVMCAHJSA-N 2 2 361.490 0.562 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084996537 1258504497 /nfs/dbraw/zinc/50/44/97/1258504497.db2.gz MTHOTEJDXJIDJW-CVEARBPZSA-N 2 2 357.462 0.567 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084996537 1258504502 /nfs/dbraw/zinc/50/45/02/1258504502.db2.gz MTHOTEJDXJIDJW-CVEARBPZSA-N 2 2 357.462 0.567 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)n1 ZINC001085076232 1258572892 /nfs/dbraw/zinc/57/28/92/1258572892.db2.gz SYCVSKZEQNEYKU-WBVHZDCISA-N 2 2 358.490 0.817 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)n1 ZINC001085076232 1258572897 /nfs/dbraw/zinc/57/28/97/1258572897.db2.gz SYCVSKZEQNEYKU-WBVHZDCISA-N 2 2 358.490 0.817 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092718 1258586272 /nfs/dbraw/zinc/58/62/72/1258586272.db2.gz NLGYAMBXMPQKRD-KFWWJZLASA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]32)n1 ZINC001085092718 1258586279 /nfs/dbraw/zinc/58/62/79/1258586279.db2.gz NLGYAMBXMPQKRD-KFWWJZLASA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]32)n1 ZINC001085092718 1258586284 /nfs/dbraw/zinc/58/62/84/1258586284.db2.gz NLGYAMBXMPQKRD-KFWWJZLASA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]32)n1 ZINC001085092718 1258586290 /nfs/dbraw/zinc/58/62/90/1258586290.db2.gz NLGYAMBXMPQKRD-KFWWJZLASA-N 2 2 362.478 0.510 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101675 1258594764 /nfs/dbraw/zinc/59/47/64/1258594764.db2.gz YUOUWKKMOIDYAV-AYBZRNKSSA-N 2 2 358.486 0.958 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]21 ZINC001085101675 1258594769 /nfs/dbraw/zinc/59/47/69/1258594769.db2.gz YUOUWKKMOIDYAV-AYBZRNKSSA-N 2 2 358.486 0.958 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159429 1258613754 /nfs/dbraw/zinc/61/37/54/1258613754.db2.gz UATXWJNAXRAZIG-BZUAXINKSA-N 2 2 364.494 0.536 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159429 1258613762 /nfs/dbraw/zinc/61/37/62/1258613762.db2.gz UATXWJNAXRAZIG-BZUAXINKSA-N 2 2 364.494 0.536 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088170706 1258688909 /nfs/dbraw/zinc/68/89/09/1258688909.db2.gz CGJGXKVRFXSNBA-SJORKVTESA-N 2 2 369.469 0.642 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)CC[C@@H]2C1 ZINC001088170706 1258688920 /nfs/dbraw/zinc/68/89/20/1258688920.db2.gz CGJGXKVRFXSNBA-SJORKVTESA-N 2 2 369.469 0.642 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088200958 1258721190 /nfs/dbraw/zinc/72/11/90/1258721190.db2.gz DBXBMTVCSMJFFA-CABCVRRESA-N 2 2 362.478 0.512 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088200958 1258721194 /nfs/dbraw/zinc/72/11/94/1258721194.db2.gz DBXBMTVCSMJFFA-CABCVRRESA-N 2 2 362.478 0.512 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)C1 ZINC001088200331 1258722149 /nfs/dbraw/zinc/72/21/49/1258722149.db2.gz YMZLCEOIDCLUNN-OAGGEKHMSA-N 2 2 358.490 0.914 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)C1 ZINC001088200331 1258722151 /nfs/dbraw/zinc/72/21/51/1258722151.db2.gz YMZLCEOIDCLUNN-OAGGEKHMSA-N 2 2 358.490 0.914 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)C1 ZINC001088200331 1258722159 /nfs/dbraw/zinc/72/21/59/1258722159.db2.gz YMZLCEOIDCLUNN-OAGGEKHMSA-N 2 2 358.490 0.914 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)CC[C@@H]3C2)C1 ZINC001088200331 1258722162 /nfs/dbraw/zinc/72/21/62/1258722162.db2.gz YMZLCEOIDCLUNN-OAGGEKHMSA-N 2 2 358.490 0.914 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201221 1258723712 /nfs/dbraw/zinc/72/37/12/1258723712.db2.gz QZVAQZPKYJVWMC-SJORKVTESA-N 2 2 360.506 0.983 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201221 1258723714 /nfs/dbraw/zinc/72/37/14/1258723714.db2.gz QZVAQZPKYJVWMC-SJORKVTESA-N 2 2 360.506 0.983 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1C ZINC001088201540 1258723909 /nfs/dbraw/zinc/72/39/09/1258723909.db2.gz HWBRANOXGVQKER-CVEARBPZSA-N 2 2 371.489 0.863 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1C ZINC001088201540 1258723916 /nfs/dbraw/zinc/72/39/16/1258723916.db2.gz HWBRANOXGVQKER-CVEARBPZSA-N 2 2 371.489 0.863 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201282 1258723954 /nfs/dbraw/zinc/72/39/54/1258723954.db2.gz UNFBZLOJUCWIDR-CVEARBPZSA-N 2 2 361.494 0.459 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201282 1258723957 /nfs/dbraw/zinc/72/39/57/1258723957.db2.gz UNFBZLOJUCWIDR-CVEARBPZSA-N 2 2 361.494 0.459 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088219715 1258740324 /nfs/dbraw/zinc/74/03/24/1258740324.db2.gz RJUUNTWLJZRPTL-SOLBZPMBSA-N 2 2 371.485 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088219715 1258740327 /nfs/dbraw/zinc/74/03/27/1258740327.db2.gz RJUUNTWLJZRPTL-SOLBZPMBSA-N 2 2 371.485 0.817 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724433 1258819697 /nfs/dbraw/zinc/81/96/97/1258819697.db2.gz LZSYYPFIHSKAGB-YFHUEUNASA-N 2 2 363.506 0.806 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724433 1258819704 /nfs/dbraw/zinc/81/97/04/1258819704.db2.gz LZSYYPFIHSKAGB-YFHUEUNASA-N 2 2 363.506 0.806 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724433 1258819710 /nfs/dbraw/zinc/81/97/10/1258819710.db2.gz LZSYYPFIHSKAGB-YFHUEUNASA-N 2 2 363.506 0.806 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092724433 1258819716 /nfs/dbraw/zinc/81/97/16/1258819716.db2.gz LZSYYPFIHSKAGB-YFHUEUNASA-N 2 2 363.506 0.806 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001092748128 1258824438 /nfs/dbraw/zinc/82/44/38/1258824438.db2.gz PPSDXSMFVHTOIT-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001092748128 1258824447 /nfs/dbraw/zinc/82/44/47/1258824447.db2.gz PPSDXSMFVHTOIT-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001092848289 1258868353 /nfs/dbraw/zinc/86/83/53/1258868353.db2.gz UYHOLLCHYWFYAF-OWYHZJEWSA-N 2 2 365.518 0.960 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001092848289 1258868360 /nfs/dbraw/zinc/86/83/60/1258868360.db2.gz UYHOLLCHYWFYAF-OWYHZJEWSA-N 2 2 365.518 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106678606 1258940689 /nfs/dbraw/zinc/94/06/89/1258940689.db2.gz VXXNXTIJPGZMIH-RRCSTGOVSA-N 2 2 359.474 0.486 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678531 1258940811 /nfs/dbraw/zinc/94/08/11/1258940811.db2.gz RZAWGAICXZIIEB-KLHDSHLOSA-N 2 2 361.490 0.686 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)on1 ZINC001106705124 1258943934 /nfs/dbraw/zinc/94/39/34/1258943934.db2.gz SIIWBTWDJOLGHQ-DGCLKSJQSA-N 2 2 360.418 0.571 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001106762857 1258957475 /nfs/dbraw/zinc/95/74/75/1258957475.db2.gz OXBUEMDVTINBEW-HUUCEWRRSA-N 2 2 357.458 0.615 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830369 1258972627 /nfs/dbraw/zinc/97/26/27/1258972627.db2.gz PFOHDBFOSMAPNZ-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877050 1258985163 /nfs/dbraw/zinc/98/51/63/1258985163.db2.gz JYDLOKHKXXEGPC-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438877 1259088110 /nfs/dbraw/zinc/08/81/10/1259088110.db2.gz MAAYMDJFYPALHJ-CRAIPNDOSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438877 1259088117 /nfs/dbraw/zinc/08/81/17/1259088117.db2.gz MAAYMDJFYPALHJ-CRAIPNDOSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438877 1259088127 /nfs/dbraw/zinc/08/81/27/1259088127.db2.gz MAAYMDJFYPALHJ-CRAIPNDOSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438877 1259088132 /nfs/dbraw/zinc/08/81/32/1259088132.db2.gz MAAYMDJFYPALHJ-CRAIPNDOSA-N 2 2 361.494 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNc2ncnc3c2C[NH+](C)CC3)CC[N@@H+]1C ZINC001107555397 1259116651 /nfs/dbraw/zinc/11/66/51/1259116651.db2.gz XMSRBGQXKBBWDA-DPOFCPOHSA-N 2 2 358.490 0.889 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNc2ncnc3c2C[NH+](C)CC3)CC[N@H+]1C ZINC001107555397 1259116660 /nfs/dbraw/zinc/11/66/60/1259116660.db2.gz XMSRBGQXKBBWDA-DPOFCPOHSA-N 2 2 358.490 0.889 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNc2ncnc3c2C[N@H+](C)CC3)CC[NH+]1C ZINC001107555397 1259116665 /nfs/dbraw/zinc/11/66/65/1259116665.db2.gz XMSRBGQXKBBWDA-DPOFCPOHSA-N 2 2 358.490 0.889 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C/CNc2ncnc3c2C[N@@H+](C)CC3)CC[NH+]1C ZINC001107555397 1259116670 /nfs/dbraw/zinc/11/66/70/1259116670.db2.gz XMSRBGQXKBBWDA-DPOFCPOHSA-N 2 2 358.490 0.889 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107610136 1259134254 /nfs/dbraw/zinc/13/42/54/1259134254.db2.gz PJLPMFZZYZXEJK-VQIMIIECSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107610136 1259134258 /nfs/dbraw/zinc/13/42/58/1259134258.db2.gz PJLPMFZZYZXEJK-VQIMIIECSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1[nH]c(C[N@@H+]2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)nc1=O ZINC001107633505 1259139933 /nfs/dbraw/zinc/13/99/33/1259139933.db2.gz VEGGQNKVNDKAGO-RDTXWAMCSA-N 2 2 362.478 0.065 20 0 FCADLP Cn1[nH]c(C[N@H+]2CC[C@@]3(CNC(=O)C[NH+]4CCCC4)CCC[C@@H]23)nc1=O ZINC001107633505 1259139936 /nfs/dbraw/zinc/13/99/36/1259139936.db2.gz VEGGQNKVNDKAGO-RDTXWAMCSA-N 2 2 362.478 0.065 20 0 FCADLP CC(C)OCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546569 1259158157 /nfs/dbraw/zinc/15/81/57/1259158157.db2.gz YLOJFQWVEBOXCM-BFYDXBDKSA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)OCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2=O)C1 ZINC001108546569 1259158161 /nfs/dbraw/zinc/15/81/61/1259158161.db2.gz YLOJFQWVEBOXCM-BFYDXBDKSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001127547645 1259178943 /nfs/dbraw/zinc/17/89/43/1259178943.db2.gz PUAHHDTUFRRYCN-GDBMZVCRSA-N 2 2 359.474 0.386 20 0 FCADLP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1=O ZINC001127547268 1259179179 /nfs/dbraw/zinc/17/91/79/1259179179.db2.gz HFVYKWTYPKLRKO-BZUAXINKSA-N 2 2 359.474 0.481 20 0 FCADLP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851298 1259248122 /nfs/dbraw/zinc/24/81/22/1259248122.db2.gz HNOCHOHESXOOPS-BBROLEBSSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851298 1259248126 /nfs/dbraw/zinc/24/81/26/1259248126.db2.gz HNOCHOHESXOOPS-BBROLEBSSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851298 1259248129 /nfs/dbraw/zinc/24/81/29/1259248129.db2.gz HNOCHOHESXOOPS-BBROLEBSSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851298 1259248131 /nfs/dbraw/zinc/24/81/31/1259248131.db2.gz HNOCHOHESXOOPS-BBROLEBSSA-N 2 2 362.478 0.307 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129084739 1259307978 /nfs/dbraw/zinc/30/79/78/1259307978.db2.gz WEKZJHRHZDJIFE-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129084739 1259307989 /nfs/dbraw/zinc/30/79/89/1259307989.db2.gz WEKZJHRHZDJIFE-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129084739 1259307997 /nfs/dbraw/zinc/30/79/97/1259307997.db2.gz WEKZJHRHZDJIFE-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129084739 1259308003 /nfs/dbraw/zinc/30/80/03/1259308003.db2.gz WEKZJHRHZDJIFE-SJORKVTESA-N 2 2 371.489 0.945 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129122088 1259321363 /nfs/dbraw/zinc/32/13/63/1259321363.db2.gz BUJUWSPCCISQDB-CVEARBPZSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129122088 1259321369 /nfs/dbraw/zinc/32/13/69/1259321369.db2.gz BUJUWSPCCISQDB-CVEARBPZSA-N 2 2 357.462 0.786 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271991 1259361199 /nfs/dbraw/zinc/36/11/99/1259361199.db2.gz UTNQFBPUTUBJNR-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271991 1259361206 /nfs/dbraw/zinc/36/12/06/1259361206.db2.gz UTNQFBPUTUBJNR-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271800 1259361332 /nfs/dbraw/zinc/36/13/32/1259361332.db2.gz POGYBLNWKHWXQY-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271800 1259361340 /nfs/dbraw/zinc/36/13/40/1259361340.db2.gz POGYBLNWKHWXQY-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289534 1259367206 /nfs/dbraw/zinc/36/72/06/1259367206.db2.gz ZKYUIOUFDAVRKI-OAGGEKHMSA-N 2 2 361.450 0.504 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129289534 1259367211 /nfs/dbraw/zinc/36/72/11/1259367211.db2.gz ZKYUIOUFDAVRKI-OAGGEKHMSA-N 2 2 361.450 0.504 20 0 FCADLP CON(C)C(=O)[C@@H]1CCc2cc(NC(=[NH2+])N3CC[NH+](C)CC3)ccc2O1 ZINC001168746623 1259391027 /nfs/dbraw/zinc/39/10/27/1259391027.db2.gz ZYWFHUBUNNAKFP-INIZCTEOSA-N 2 2 361.446 0.994 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680317 1259427585 /nfs/dbraw/zinc/42/75/85/1259427585.db2.gz PUYCKGHNIGZOIZ-OKZBNKHCSA-N 2 2 358.442 0.544 20 0 FCADLP CON(C)C(=O)c1cccc(-c2noc([C@H](N)C[NH+]3CCC([NH3+])CC3)n2)c1 ZINC001212314437 1259462379 /nfs/dbraw/zinc/46/23/79/1259462379.db2.gz BHLSFZQTPQRGTJ-OAHLLOKOSA-N 2 2 374.445 0.793 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406571 1259494012 /nfs/dbraw/zinc/49/40/12/1259494012.db2.gz ZASHOOFCBSRDCD-CEXWTWQISA-N 2 2 371.485 0.829 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406571 1259494015 /nfs/dbraw/zinc/49/40/15/1259494015.db2.gz ZASHOOFCBSRDCD-CEXWTWQISA-N 2 2 371.485 0.829 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001212411849 1259495178 /nfs/dbraw/zinc/49/51/78/1259495178.db2.gz LKOGZZXQHMSNQN-JFIYKMOQSA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001212411849 1259495185 /nfs/dbraw/zinc/49/51/85/1259495185.db2.gz LKOGZZXQHMSNQN-JFIYKMOQSA-N 2 2 366.506 0.153 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)n1 ZINC001212414708 1259497675 /nfs/dbraw/zinc/49/76/75/1259497675.db2.gz SLRSREXVUIRYCQ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)n1 ZINC001212414708 1259497680 /nfs/dbraw/zinc/49/76/80/1259497680.db2.gz SLRSREXVUIRYCQ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](OC)C2)n1 ZINC001212414708 1259497681 /nfs/dbraw/zinc/49/76/81/1259497681.db2.gz SLRSREXVUIRYCQ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H](OC)C2)n1 ZINC001212414708 1259497685 /nfs/dbraw/zinc/49/76/85/1259497685.db2.gz SLRSREXVUIRYCQ-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437086 1259505535 /nfs/dbraw/zinc/50/55/35/1259505535.db2.gz ZZGLMDGELOAPTJ-NUJGCVRESA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437086 1259505539 /nfs/dbraw/zinc/50/55/39/1259505539.db2.gz ZZGLMDGELOAPTJ-NUJGCVRESA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1OC)[NH+](C)C ZINC001212460683 1259514230 /nfs/dbraw/zinc/51/42/30/1259514230.db2.gz JMUVSPCYYWBOHM-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1OC)[NH+](C)C ZINC001212460683 1259514234 /nfs/dbraw/zinc/51/42/34/1259514234.db2.gz JMUVSPCYYWBOHM-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001212477028 1259518247 /nfs/dbraw/zinc/51/82/47/1259518247.db2.gz PEIKOAPMCWBYCF-KBAYOESNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001212477028 1259518251 /nfs/dbraw/zinc/51/82/51/1259518251.db2.gz PEIKOAPMCWBYCF-KBAYOESNSA-N 2 2 362.474 0.688 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483536 1259519113 /nfs/dbraw/zinc/51/91/13/1259519113.db2.gz MANCTLJOKBYBST-BZUAXINKSA-N 2 2 370.538 0.789 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483536 1259519122 /nfs/dbraw/zinc/51/91/22/1259519122.db2.gz MANCTLJOKBYBST-BZUAXINKSA-N 2 2 370.538 0.789 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483536 1259519127 /nfs/dbraw/zinc/51/91/27/1259519127.db2.gz MANCTLJOKBYBST-BZUAXINKSA-N 2 2 370.538 0.789 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483536 1259519133 /nfs/dbraw/zinc/51/91/33/1259519133.db2.gz MANCTLJOKBYBST-BZUAXINKSA-N 2 2 370.538 0.789 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212487151 1259524192 /nfs/dbraw/zinc/52/41/92/1259524192.db2.gz UKGCKYCYIDLTDK-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212487151 1259524196 /nfs/dbraw/zinc/52/41/96/1259524196.db2.gz UKGCKYCYIDLTDK-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212487151 1259524201 /nfs/dbraw/zinc/52/42/01/1259524201.db2.gz UKGCKYCYIDLTDK-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212487151 1259524205 /nfs/dbraw/zinc/52/42/05/1259524205.db2.gz UKGCKYCYIDLTDK-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP Cc1c[nH]c(=O)c(C[N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001233189908 1259547315 /nfs/dbraw/zinc/54/73/15/1259547315.db2.gz JEKOQDITQGJHLA-UHFFFAOYSA-N 2 2 359.430 0.933 20 0 FCADLP Cc1c[nH]c(=O)c(C[N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001233189908 1259547321 /nfs/dbraw/zinc/54/73/21/1259547321.db2.gz JEKOQDITQGJHLA-UHFFFAOYSA-N 2 2 359.430 0.933 20 0 FCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206127 1259569363 /nfs/dbraw/zinc/56/93/63/1259569363.db2.gz RSBWRKHQISQVDF-GJZGRUSLSA-N 3 2 371.476 0.951 20 0 FCADLP COC(=O)[C@H]1C[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCN1 ZINC001235439973 1259571581 /nfs/dbraw/zinc/57/15/81/1259571581.db2.gz AXRVWBQMQQAZHP-MRXNPFEDSA-N 2 2 358.446 0.143 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CCN1 ZINC001235439973 1259571586 /nfs/dbraw/zinc/57/15/86/1259571586.db2.gz AXRVWBQMQQAZHP-MRXNPFEDSA-N 2 2 358.446 0.143 20 0 FCADLP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235618256 1259580087 /nfs/dbraw/zinc/58/00/87/1259580087.db2.gz MLHARGYELWFTTK-MLHJIOFPSA-N 2 2 374.485 0.996 20 0 FCADLP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235618256 1259580097 /nfs/dbraw/zinc/58/00/97/1259580097.db2.gz MLHARGYELWFTTK-MLHJIOFPSA-N 2 2 374.485 0.996 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)O1 ZINC001235613809 1259580944 /nfs/dbraw/zinc/58/09/44/1259580944.db2.gz ADWFIGCROVSYIH-KRWDZBQOSA-N 2 2 374.485 1.000 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)Cn1cc[nH+]c1 ZINC001335394528 1259642236 /nfs/dbraw/zinc/64/22/36/1259642236.db2.gz JRNRCTNMUMBQHC-GOEBONIOSA-N 2 2 357.414 0.987 20 0 FCADLP COc1ccc(CN2CC[C@@H]([NH2+]C[C@H]3C[NH2+]CCN3)CC2=O)c(OC)c1 ZINC001246489770 1259653770 /nfs/dbraw/zinc/65/37/70/1259653770.db2.gz ATSYSWKGEHBRMA-HZPDHXFCSA-N 2 2 362.474 0.346 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564944 1259654242 /nfs/dbraw/zinc/65/42/42/1259654242.db2.gz GVUNMFREISFZKF-VVLHAWIVSA-N 2 2 361.442 0.227 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564944 1259654248 /nfs/dbraw/zinc/65/42/48/1259654248.db2.gz GVUNMFREISFZKF-VVLHAWIVSA-N 2 2 361.442 0.227 20 0 FCADLP O=C1NCC[C@]12C[N@@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631930 1259656179 /nfs/dbraw/zinc/65/61/79/1259656179.db2.gz YBADMZLZZGRRCO-LQWHRVPQSA-N 3 2 354.498 0.761 20 0 FCADLP O=C1NCC[C@]12C[N@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631930 1259656191 /nfs/dbraw/zinc/65/61/91/1259656191.db2.gz YBADMZLZZGRRCO-LQWHRVPQSA-N 3 2 354.498 0.761 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246701398 1259664490 /nfs/dbraw/zinc/66/44/90/1259664490.db2.gz CNSLNNOYKCPCGO-ATZCPQFDSA-N 2 2 364.421 0.452 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)C[NH2+]1 ZINC001246706784 1259664954 /nfs/dbraw/zinc/66/49/54/1259664954.db2.gz MDODYHQSGKPOBI-MANSERQUSA-N 2 2 374.485 0.569 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)C[NH2+]1 ZINC001246706784 1259664959 /nfs/dbraw/zinc/66/49/59/1259664959.db2.gz MDODYHQSGKPOBI-MANSERQUSA-N 2 2 374.485 0.569 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)C[NH2+]1 ZINC001246725281 1259669943 /nfs/dbraw/zinc/66/99/43/1259669943.db2.gz YCHIVONRYJRLNI-ZBFHGGJFSA-N 2 2 370.457 0.334 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](n2nc(C(=O)N3CCC[C@@H]3C)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246732010 1259672201 /nfs/dbraw/zinc/67/22/01/1259672201.db2.gz ZEGBUJGWUHBRIE-SCRDCRAPSA-N 2 2 361.446 0.229 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C[NH2+]1 ZINC001246735539 1259673660 /nfs/dbraw/zinc/67/36/60/1259673660.db2.gz UEKUFBGJSURXFF-XSLAGTTESA-N 2 2 360.458 0.260 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C[NH2+]1 ZINC001246735539 1259673668 /nfs/dbraw/zinc/67/36/68/1259673668.db2.gz UEKUFBGJSURXFF-XSLAGTTESA-N 2 2 360.458 0.260 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ccccn2)[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246742130 1259675425 /nfs/dbraw/zinc/67/54/25/1259675425.db2.gz ZNKDUFXNSMMFRI-JYJNAYRXSA-N 2 2 360.458 0.703 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC001247334262 1259701974 /nfs/dbraw/zinc/70/19/74/1259701974.db2.gz PRSUFHLWKWZSLC-NSHDSACASA-N 2 2 356.342 0.375 20 0 FCADLP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]([NH3+])CCCNC(N)=O)n2)CC1 ZINC001247638973 1259706111 /nfs/dbraw/zinc/70/61/11/1259706111.db2.gz NLAIBZNNENAEJD-AWEZNQCLSA-N 2 2 373.461 0.937 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001335623258 1259748721 /nfs/dbraw/zinc/74/87/21/1259748721.db2.gz NCCRDJKGFYGUBI-HOTGVXAUSA-N 2 2 369.510 0.126 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1=O ZINC001252931270 1259812055 /nfs/dbraw/zinc/81/20/55/1259812055.db2.gz JIWCGZYCINJWBX-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1=O ZINC001252931270 1259812062 /nfs/dbraw/zinc/81/20/62/1259812062.db2.gz JIWCGZYCINJWBX-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931270 1259812066 /nfs/dbraw/zinc/81/20/66/1259812066.db2.gz JIWCGZYCINJWBX-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931270 1259812077 /nfs/dbraw/zinc/81/20/77/1259812077.db2.gz JIWCGZYCINJWBX-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950849 1259813928 /nfs/dbraw/zinc/81/39/28/1259813928.db2.gz HIWMTPNKGLBBKD-IEBWSBKVSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950849 1259813935 /nfs/dbraw/zinc/81/39/35/1259813935.db2.gz HIWMTPNKGLBBKD-IEBWSBKVSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950849 1259813942 /nfs/dbraw/zinc/81/39/42/1259813942.db2.gz HIWMTPNKGLBBKD-IEBWSBKVSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950849 1259813946 /nfs/dbraw/zinc/81/39/46/1259813946.db2.gz HIWMTPNKGLBBKD-IEBWSBKVSA-N 2 2 358.442 0.720 20 0 FCADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1CC1(O)CCOCC1 ZINC001252961177 1259815687 /nfs/dbraw/zinc/81/56/87/1259815687.db2.gz GGRADHMAICRFRW-MRXNPFEDSA-N 2 2 363.506 0.549 20 0 FCADLP C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1CC1(O)CCOCC1 ZINC001252961177 1259815696 /nfs/dbraw/zinc/81/56/96/1259815696.db2.gz GGRADHMAICRFRW-MRXNPFEDSA-N 2 2 363.506 0.549 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001253204056 1259830591 /nfs/dbraw/zinc/83/05/91/1259830591.db2.gz PENDVXCPAWBGMI-KFWWJZLASA-N 2 2 373.494 0.830 20 0 FCADLP CN(C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335774449 1259833419 /nfs/dbraw/zinc/83/34/19/1259833419.db2.gz VMUZDRFYGKJJLU-AEFFLSMTSA-N 2 2 374.489 0.540 20 0 FCADLP CN(C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335774449 1259833427 /nfs/dbraw/zinc/83/34/27/1259833427.db2.gz VMUZDRFYGKJJLU-AEFFLSMTSA-N 2 2 374.489 0.540 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001254139590 1259874401 /nfs/dbraw/zinc/87/44/01/1259874401.db2.gz JVOFJQUGSMJATA-UHFFFAOYSA-N 2 2 373.461 0.881 20 0 FCADLP CC(=O)N1CCC([N@@H+]2Cc3nccn3C[C@@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC001254426126 1259882668 /nfs/dbraw/zinc/88/26/68/1259882668.db2.gz RVJSDABPMHYYEH-GOSISDBHSA-N 2 2 374.533 0.573 20 0 FCADLP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856074 1259898351 /nfs/dbraw/zinc/89/83/51/1259898351.db2.gz DKDRWEUBMGRWLZ-AZUAARDMSA-N 2 2 364.534 0.631 20 0 FCADLP CNC(=O)CN1CCOC[C@]2(CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)C1 ZINC001254856074 1259898360 /nfs/dbraw/zinc/89/83/60/1259898360.db2.gz DKDRWEUBMGRWLZ-AZUAARDMSA-N 2 2 364.534 0.631 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H]1CC[N@H+](C)C1)C2 ZINC001255432324 1259913125 /nfs/dbraw/zinc/91/31/25/1259913125.db2.gz PVSMKFBZCBMEOV-DLBZAZTESA-N 2 2 363.506 0.372 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H]1CC[N@@H+](C)C1)C2 ZINC001255432324 1259913130 /nfs/dbraw/zinc/91/31/30/1259913130.db2.gz PVSMKFBZCBMEOV-DLBZAZTESA-N 2 2 363.506 0.372 20 0 FCADLP CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001256030722 1259930561 /nfs/dbraw/zinc/93/05/61/1259930561.db2.gz CRDAIRSJDPUZMA-QZWWFDLISA-N 2 2 362.478 0.904 20 0 FCADLP CCOC(=O)N1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)C1 ZINC001256030722 1259930568 /nfs/dbraw/zinc/93/05/68/1259930568.db2.gz CRDAIRSJDPUZMA-QZWWFDLISA-N 2 2 362.478 0.904 20 0 FCADLP CCOC(=O)N1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)C1 ZINC001256030722 1259930571 /nfs/dbraw/zinc/93/05/71/1259930571.db2.gz CRDAIRSJDPUZMA-QZWWFDLISA-N 2 2 362.478 0.904 20 0 FCADLP CCOC(=O)N1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)C1 ZINC001256030722 1259930574 /nfs/dbraw/zinc/93/05/74/1259930574.db2.gz CRDAIRSJDPUZMA-QZWWFDLISA-N 2 2 362.478 0.904 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)[nH+]c12 ZINC001256779052 1259959004 /nfs/dbraw/zinc/95/90/04/1259959004.db2.gz ARSUSGYDDKVEIY-OAHLLOKOSA-N 2 2 357.458 0.712 20 0 FCADLP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)CC1 ZINC001257212782 1260001449 /nfs/dbraw/zinc/00/14/49/1260001449.db2.gz AJUOXVKFYJOFHM-KRWDZBQOSA-N 2 2 362.474 0.367 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)CC[N@H+](C)C1 ZINC001261365406 1260125967 /nfs/dbraw/zinc/12/59/67/1260125967.db2.gz NYBQNFLONWRWPM-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)CC[N@@H+](C)C1 ZINC001261365406 1260125968 /nfs/dbraw/zinc/12/59/68/1260125968.db2.gz NYBQNFLONWRWPM-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365406 1260125970 /nfs/dbraw/zinc/12/59/70/1260125970.db2.gz NYBQNFLONWRWPM-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365406 1260125973 /nfs/dbraw/zinc/12/59/73/1260125973.db2.gz NYBQNFLONWRWPM-MSOLQXFVSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)CC[N@H+](C)C1 ZINC001261365409 1260127038 /nfs/dbraw/zinc/12/70/38/1260127038.db2.gz NYBQNFLONWRWPM-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)CC[N@@H+](C)C1 ZINC001261365409 1260127045 /nfs/dbraw/zinc/12/70/45/1260127045.db2.gz NYBQNFLONWRWPM-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365409 1260127052 /nfs/dbraw/zinc/12/70/52/1260127052.db2.gz NYBQNFLONWRWPM-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC[NH+](C)C1 ZINC001261365409 1260127056 /nfs/dbraw/zinc/12/70/56/1260127056.db2.gz NYBQNFLONWRWPM-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP CC[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC[NH2+]C1 ZINC001261493331 1260150274 /nfs/dbraw/zinc/15/02/74/1260150274.db2.gz VOFTYFUBNKYGFI-IBGZPJMESA-N 2 2 374.489 0.352 20 0 FCADLP CC[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]C1 ZINC001261493331 1260150279 /nfs/dbraw/zinc/15/02/79/1260150279.db2.gz VOFTYFUBNKYGFI-IBGZPJMESA-N 2 2 374.489 0.352 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)no1 ZINC001262029594 1260247833 /nfs/dbraw/zinc/24/78/33/1260247833.db2.gz DRCNGBJPFFXVCU-OAHLLOKOSA-N 2 2 365.478 0.263 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)no1 ZINC001262029594 1260247836 /nfs/dbraw/zinc/24/78/36/1260247836.db2.gz DRCNGBJPFFXVCU-OAHLLOKOSA-N 2 2 365.478 0.263 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@@H](C)C1 ZINC001336943573 1260262833 /nfs/dbraw/zinc/26/28/33/1260262833.db2.gz YCYKIWVTFXPBML-IRXDYDNUSA-N 2 2 355.527 0.158 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@@H](C)C1 ZINC001336943573 1260262842 /nfs/dbraw/zinc/26/28/42/1260262842.db2.gz YCYKIWVTFXPBML-IRXDYDNUSA-N 2 2 355.527 0.158 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC001262123564 1260263209 /nfs/dbraw/zinc/26/32/09/1260263209.db2.gz LSHZPKKELSUKJP-ZDUSSCGKSA-N 2 2 372.460 0.917 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC001262123564 1260263213 /nfs/dbraw/zinc/26/32/13/1260263213.db2.gz LSHZPKKELSUKJP-ZDUSSCGKSA-N 2 2 372.460 0.917 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc[nH+]1 ZINC001262360282 1260307602 /nfs/dbraw/zinc/30/76/02/1260307602.db2.gz BXCNPNIWTZIEIG-HUUCEWRRSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc[nH+]1 ZINC001262360282 1260307611 /nfs/dbraw/zinc/30/76/11/1260307611.db2.gz BXCNPNIWTZIEIG-HUUCEWRRSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]cn1 ZINC001262360282 1260307618 /nfs/dbraw/zinc/30/76/18/1260307618.db2.gz BXCNPNIWTZIEIG-HUUCEWRRSA-N 2 2 362.478 0.402 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]cn1 ZINC001262360282 1260307626 /nfs/dbraw/zinc/30/76/26/1260307626.db2.gz BXCNPNIWTZIEIG-HUUCEWRRSA-N 2 2 362.478 0.402 20 0 FCADLP CC[NH+](CC)CCC(=O)N1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001272642461 1260471550 /nfs/dbraw/zinc/47/15/50/1260471550.db2.gz KSDWDBXPISYQEW-UHFFFAOYSA-N 2 2 363.462 0.055 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)CC1 ZINC001272868884 1260521270 /nfs/dbraw/zinc/52/12/70/1260521270.db2.gz YLFGGDWLXLFUOV-UHFFFAOYSA-N 2 2 359.474 0.069 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](Cc2cccc(=O)[nH]2)C3)CC1 ZINC001272868884 1260521275 /nfs/dbraw/zinc/52/12/75/1260521275.db2.gz YLFGGDWLXLFUOV-UHFFFAOYSA-N 2 2 359.474 0.069 20 0 FCADLP CN(C(=O)NCc1nnc2n1CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001338233763 1260596306 /nfs/dbraw/zinc/59/63/06/1260596306.db2.gz SUOQUFXJSMZPNF-OAHLLOKOSA-N 2 2 361.494 0.534 20 0 FCADLP CN(C(=O)NCc1nnc2n1CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001338233763 1260596313 /nfs/dbraw/zinc/59/63/13/1260596313.db2.gz SUOQUFXJSMZPNF-OAHLLOKOSA-N 2 2 361.494 0.534 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211419 1260625029 /nfs/dbraw/zinc/62/50/29/1260625029.db2.gz XRSAMGUHPCIEJK-IEBWSBKVSA-N 2 2 361.490 0.945 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211419 1260625040 /nfs/dbraw/zinc/62/50/40/1260625040.db2.gz XRSAMGUHPCIEJK-IEBWSBKVSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211419 1260625049 /nfs/dbraw/zinc/62/50/49/1260625049.db2.gz XRSAMGUHPCIEJK-IEBWSBKVSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(CCC[N@@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211419 1260625058 /nfs/dbraw/zinc/62/50/58/1260625058.db2.gz XRSAMGUHPCIEJK-IEBWSBKVSA-N 2 2 361.490 0.945 20 0 FCADLP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254865 1260637193 /nfs/dbraw/zinc/63/71/93/1260637193.db2.gz NBUMKWJGUZSHKP-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254865 1260637204 /nfs/dbraw/zinc/63/72/04/1260637204.db2.gz NBUMKWJGUZSHKP-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP C[NH+]1CCC[C@@H](CC(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254865 1260637211 /nfs/dbraw/zinc/63/72/11/1260637211.db2.gz NBUMKWJGUZSHKP-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP C[NH+]1CCC[C@@H](CC(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001273254865 1260637220 /nfs/dbraw/zinc/63/72/20/1260637220.db2.gz NBUMKWJGUZSHKP-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP C[N@@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273254895 1260637626 /nfs/dbraw/zinc/63/76/26/1260637626.db2.gz OCHIHLXPMFBSJJ-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273254895 1260637634 /nfs/dbraw/zinc/63/76/34/1260637634.db2.gz OCHIHLXPMFBSJJ-OKZBNKHCSA-N 2 2 361.490 0.527 20 0 FCADLP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273254894 1260637717 /nfs/dbraw/zinc/63/77/17/1260637717.db2.gz OCHIHLXPMFBSJJ-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)C1 ZINC001273254894 1260637726 /nfs/dbraw/zinc/63/77/26/1260637726.db2.gz OCHIHLXPMFBSJJ-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)[C@H]1CCCNC1=O ZINC001273254623 1260637947 /nfs/dbraw/zinc/63/79/47/1260637947.db2.gz OBEQSMLDWOOJLX-IPELMVKDSA-N 2 2 359.474 0.961 20 0 FCADLP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777781 1260668022 /nfs/dbraw/zinc/66/80/22/1260668022.db2.gz HMCPWAUMVRKDOX-PKOBYXMFSA-N 2 2 364.490 0.985 20 0 FCADLP CCCCOC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777781 1260668032 /nfs/dbraw/zinc/66/80/32/1260668032.db2.gz HMCPWAUMVRKDOX-PKOBYXMFSA-N 2 2 364.490 0.985 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@H]3CN(CCn4cc[nH+]c4)C[C@@H](C2)O3)C1 ZINC001278182683 1260685907 /nfs/dbraw/zinc/68/59/07/1260685907.db2.gz NKEYTSDMMYYFCA-GBESFXJTSA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@H]3CN(CCn4cc[nH+]c4)C[C@@H](C2)O3)C1 ZINC001278182683 1260685912 /nfs/dbraw/zinc/68/59/12/1260685912.db2.gz NKEYTSDMMYYFCA-GBESFXJTSA-N 2 2 361.490 0.527 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001278185216 1260686606 /nfs/dbraw/zinc/68/66/06/1260686606.db2.gz ZIPYHNRFCYFGNG-BBWFWOEESA-N 2 2 368.522 0.942 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001278185216 1260686612 /nfs/dbraw/zinc/68/66/12/1260686612.db2.gz ZIPYHNRFCYFGNG-BBWFWOEESA-N 2 2 368.522 0.942 20 0 FCADLP Cc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)nn1C ZINC001279008945 1260771043 /nfs/dbraw/zinc/77/10/43/1260771043.db2.gz KKDGKDUIWDHZTC-LJQANCHMSA-N 2 2 362.522 0.447 20 0 FCADLP Cc1cc(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)nn1C ZINC001279008945 1260771048 /nfs/dbraw/zinc/77/10/48/1260771048.db2.gz KKDGKDUIWDHZTC-LJQANCHMSA-N 2 2 362.522 0.447 20 0 FCADLP COC(=O)c1cccc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)n1 ZINC001279254669 1260812952 /nfs/dbraw/zinc/81/29/52/1260812952.db2.gz XYCPBICHGBRYJB-UHFFFAOYSA-N 2 2 360.458 0.854 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@@H]3CCCO3)C2)N1 ZINC001279467096 1260874784 /nfs/dbraw/zinc/87/47/84/1260874784.db2.gz HOVFDYSMXNUHGY-PKOBYXMFSA-N 2 2 361.490 0.719 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@@H]3CCCO3)C2)N1 ZINC001279467096 1260874790 /nfs/dbraw/zinc/87/47/90/1260874790.db2.gz HOVFDYSMXNUHGY-PKOBYXMFSA-N 2 2 361.490 0.719 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502546 1260881469 /nfs/dbraw/zinc/88/14/69/1260881469.db2.gz SUEDNHLEDONNJU-YESZJQIVSA-N 2 2 359.474 0.260 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502546 1260881470 /nfs/dbraw/zinc/88/14/70/1260881470.db2.gz SUEDNHLEDONNJU-YESZJQIVSA-N 2 2 359.474 0.260 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502546 1260881474 /nfs/dbraw/zinc/88/14/74/1260881474.db2.gz SUEDNHLEDONNJU-YESZJQIVSA-N 2 2 359.474 0.260 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccnc2=O)C1 ZINC001279502546 1260881475 /nfs/dbraw/zinc/88/14/75/1260881475.db2.gz SUEDNHLEDONNJU-YESZJQIVSA-N 2 2 359.474 0.260 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279590713 1260896933 /nfs/dbraw/zinc/89/69/33/1260896933.db2.gz HYLXOEAIKJBXRL-FQEVSTJZSA-N 3 2 367.582 0.792 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001279590713 1260896938 /nfs/dbraw/zinc/89/69/38/1260896938.db2.gz HYLXOEAIKJBXRL-FQEVSTJZSA-N 3 2 367.582 0.792 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1CC12C[NH+](CCN1CCOCC1)C2 ZINC001279770310 1260932506 /nfs/dbraw/zinc/93/25/06/1260932506.db2.gz BRWXIXSAXWQQJU-OAHLLOKOSA-N 2 2 355.442 0.927 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279926676 1260964829 /nfs/dbraw/zinc/96/48/29/1260964829.db2.gz JJBLQSASBJGLRP-XOKHGSTOSA-N 2 2 362.478 0.242 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279926676 1260964831 /nfs/dbraw/zinc/96/48/31/1260964831.db2.gz JJBLQSASBJGLRP-XOKHGSTOSA-N 2 2 362.478 0.242 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3c[nH]nn3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279926676 1260964837 /nfs/dbraw/zinc/96/48/37/1260964837.db2.gz JJBLQSASBJGLRP-XOKHGSTOSA-N 2 2 362.478 0.242 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3c[nH]nn3)C[C@H]3CCCO[C@H]32)CC1 ZINC001279926676 1260964840 /nfs/dbraw/zinc/96/48/40/1260964840.db2.gz JJBLQSASBJGLRP-XOKHGSTOSA-N 2 2 362.478 0.242 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC23C[NH+](Cc2cncnc2)C3)cn1 ZINC001279972638 1260976876 /nfs/dbraw/zinc/97/68/76/1260976876.db2.gz SAELBUKLNLHYRA-INIZCTEOSA-N 2 2 355.446 0.695 20 0 FCADLP Cn1cnnc1C[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280071745 1260990261 /nfs/dbraw/zinc/99/02/61/1260990261.db2.gz SCLXEXKXVKQWRY-MRXNPFEDSA-N 2 2 358.490 0.724 20 0 FCADLP C[N@@H+]1CCN(C(=O)OCc2ccccc2)C2(CC[NH+](CC(N)=O)CC2)C1 ZINC001280194416 1261029068 /nfs/dbraw/zinc/02/90/68/1261029068.db2.gz OIQOSSIGSMUJEM-UHFFFAOYSA-N 2 2 360.458 0.891 20 0 FCADLP C[N@H+]1CCN(C(=O)OCc2ccccc2)C2(CC[NH+](CC(N)=O)CC2)C1 ZINC001280194416 1261029071 /nfs/dbraw/zinc/02/90/71/1261029071.db2.gz OIQOSSIGSMUJEM-UHFFFAOYSA-N 2 2 360.458 0.891 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC2(CN(Cc3c[nH+]cn3C)C2)O1 ZINC001280290784 1261048953 /nfs/dbraw/zinc/04/89/53/1261048953.db2.gz FDRXEZOUMAXRAO-KRWDZBQOSA-N 2 2 363.506 0.954 20 0 FCADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)c2)CC1 ZINC001332363202 1266387615 /nfs/dbraw/zinc/38/76/15/1266387615.db2.gz CWEALUPXCZGBJO-LJQANCHMSA-N 2 2 372.513 0.819 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001281847314 1261230154 /nfs/dbraw/zinc/23/01/54/1261230154.db2.gz XZQRXUUIGNQPRE-INMHGKMJSA-N 2 2 365.478 0.201 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001282090735 1261337229 /nfs/dbraw/zinc/33/72/29/1261337229.db2.gz XXOGJBZHTMUWFQ-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001282090735 1261337231 /nfs/dbraw/zinc/33/72/31/1261337231.db2.gz XXOGJBZHTMUWFQ-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594307 1261492725 /nfs/dbraw/zinc/49/27/25/1261492725.db2.gz XXGZCWPLDKPBGW-FGTMMUONSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594307 1261492730 /nfs/dbraw/zinc/49/27/30/1261492730.db2.gz XXGZCWPLDKPBGW-FGTMMUONSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594307 1261492735 /nfs/dbraw/zinc/49/27/35/1261492735.db2.gz XXGZCWPLDKPBGW-FGTMMUONSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001473594307 1261492738 /nfs/dbraw/zinc/49/27/38/1261492738.db2.gz XXGZCWPLDKPBGW-FGTMMUONSA-N 2 2 350.459 0.814 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001345536813 1261733537 /nfs/dbraw/zinc/73/35/37/1261733537.db2.gz OOESTVQQGPHNPI-QZTJIDSGSA-N 2 2 368.570 0.338 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001345536813 1261733541 /nfs/dbraw/zinc/73/35/41/1261733541.db2.gz OOESTVQQGPHNPI-QZTJIDSGSA-N 2 2 368.570 0.338 20 0 FCADLP CN(Cc1cccnc1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345540046 1261733930 /nfs/dbraw/zinc/73/39/30/1261733930.db2.gz PEOXJTPAXPXQLR-UHFFFAOYSA-N 2 2 373.501 0.715 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580340808 1278138592 /nfs/dbraw/zinc/13/85/92/1278138592.db2.gz KODAELJDTAEZAW-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580340808 1278138593 /nfs/dbraw/zinc/13/85/93/1278138593.db2.gz KODAELJDTAEZAW-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)CC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC001580364700 1278171473 /nfs/dbraw/zinc/17/14/73/1278171473.db2.gz WPNNKICOJBTBLM-ZBFHGGJFSA-N 2 2 352.460 0.537 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089568 1263128325 /nfs/dbraw/zinc/12/83/25/1263128325.db2.gz BPEUVHGVBMSRCZ-ARFHVFGLSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089568 1263128329 /nfs/dbraw/zinc/12/83/29/1263128329.db2.gz BPEUVHGVBMSRCZ-ARFHVFGLSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089568 1263128332 /nfs/dbraw/zinc/12/83/32/1263128332.db2.gz BPEUVHGVBMSRCZ-ARFHVFGLSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089568 1263128336 /nfs/dbraw/zinc/12/83/36/1263128336.db2.gz BPEUVHGVBMSRCZ-ARFHVFGLSA-N 2 2 374.445 0.079 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479674910 1263343485 /nfs/dbraw/zinc/34/34/85/1263343485.db2.gz WPLKQYDZZXGCSC-CVEARBPZSA-N 2 2 368.503 0.407 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001479674910 1263343492 /nfs/dbraw/zinc/34/34/92/1263343492.db2.gz WPLKQYDZZXGCSC-CVEARBPZSA-N 2 2 368.503 0.407 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001320030051 1263756157 /nfs/dbraw/zinc/75/61/57/1263756157.db2.gz GKUWPYLLDOHAPP-IAGOWNOFSA-N 2 2 360.506 0.405 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001320030051 1263756162 /nfs/dbraw/zinc/75/61/62/1263756162.db2.gz GKUWPYLLDOHAPP-IAGOWNOFSA-N 2 2 360.506 0.405 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001495743008 1263836664 /nfs/dbraw/zinc/83/66/64/1263836664.db2.gz XIBLVZOJKYZTMI-NWANDNLSSA-N 2 2 359.478 0.986 20 0 FCADLP c1cnnc(N2CCC([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CC2)c1 ZINC001320905655 1263877881 /nfs/dbraw/zinc/87/78/81/1263877881.db2.gz SCDRJXIYBLVRSR-UHFFFAOYSA-N 2 2 374.533 0.832 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC001321305343 1263933905 /nfs/dbraw/zinc/93/39/05/1263933905.db2.gz WFTZUDSSGHOKGC-ULQDDVLXSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001321401938 1263952789 /nfs/dbraw/zinc/95/27/89/1263952789.db2.gz AXQSDNTVIDQGEX-UHFFFAOYSA-N 2 2 356.430 0.175 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001321529560 1263984466 /nfs/dbraw/zinc/98/44/66/1263984466.db2.gz HNJJOTRFZUJTFT-UHFFFAOYSA-N 2 2 367.538 0.071 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001321529560 1263984472 /nfs/dbraw/zinc/98/44/72/1263984472.db2.gz HNJJOTRFZUJTFT-UHFFFAOYSA-N 2 2 367.538 0.071 20 0 FCADLP COC[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001499997913 1264052080 /nfs/dbraw/zinc/05/20/80/1264052080.db2.gz WYDREYHZCXCEIA-RBSFLKMASA-N 2 2 350.463 0.502 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001321774521 1264058959 /nfs/dbraw/zinc/05/89/59/1264058959.db2.gz ZHZTVTYRDGWXSU-ZDUSSCGKSA-N 2 2 354.414 0.908 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC3CCOCC3)CC2)CC1 ZINC001321788335 1264062916 /nfs/dbraw/zinc/06/29/16/1264062916.db2.gz WIOQVPLGIFVNPX-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC001501172588 1264107464 /nfs/dbraw/zinc/10/74/64/1264107464.db2.gz WWYVUNFJAOPZDI-KLHDSHLOSA-N 2 2 361.490 0.781 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC001501172588 1264107470 /nfs/dbraw/zinc/10/74/70/1264107470.db2.gz WWYVUNFJAOPZDI-KLHDSHLOSA-N 2 2 361.490 0.781 20 0 FCADLP CC(=O)N1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC001322188160 1264163391 /nfs/dbraw/zinc/16/33/91/1264163391.db2.gz SGSMKJIBRDIRAJ-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322689964 1264244303 /nfs/dbraw/zinc/24/43/03/1264244303.db2.gz XCYJTLRITFZXPS-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001322696760 1264245537 /nfs/dbraw/zinc/24/55/37/1264245537.db2.gz ZRBFLMLGDSVNPZ-PMPSAXMXSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001322696760 1264245542 /nfs/dbraw/zinc/24/55/42/1264245542.db2.gz ZRBFLMLGDSVNPZ-PMPSAXMXSA-N 2 2 361.490 0.800 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001322774285 1264261210 /nfs/dbraw/zinc/26/12/10/1264261210.db2.gz RMPKPJQKLMJDSP-DLBZAZTESA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001322774285 1264261214 /nfs/dbraw/zinc/26/12/14/1264261214.db2.gz RMPKPJQKLMJDSP-DLBZAZTESA-N 2 2 373.501 0.802 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001323398767 1264420883 /nfs/dbraw/zinc/42/08/83/1264420883.db2.gz CIJRXZLQOSBHNT-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001323398766 1264421074 /nfs/dbraw/zinc/42/10/74/1264421074.db2.gz CIJRXZLQOSBHNT-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001323502673 1264442812 /nfs/dbraw/zinc/44/28/12/1264442812.db2.gz WSWVYQGUEAYZSC-FUHWJXTLSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001323502673 1264442815 /nfs/dbraw/zinc/44/28/15/1264442815.db2.gz WSWVYQGUEAYZSC-FUHWJXTLSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001323502673 1264442816 /nfs/dbraw/zinc/44/28/16/1264442816.db2.gz WSWVYQGUEAYZSC-FUHWJXTLSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001323502673 1264442820 /nfs/dbraw/zinc/44/28/20/1264442820.db2.gz WSWVYQGUEAYZSC-FUHWJXTLSA-N 2 2 356.470 0.986 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001323850389 1264528463 /nfs/dbraw/zinc/52/84/63/1264528463.db2.gz CHDCOGYMOPKLQU-BFYDXBDKSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001323850389 1264528468 /nfs/dbraw/zinc/52/84/68/1264528468.db2.gz CHDCOGYMOPKLQU-BFYDXBDKSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001525952141 1266775344 /nfs/dbraw/zinc/77/53/44/1266775344.db2.gz PXHWYIBXKSDPBT-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001525952141 1266775355 /nfs/dbraw/zinc/77/53/55/1266775355.db2.gz PXHWYIBXKSDPBT-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCc1c[nH+]cn1C ZINC001580403275 1278234465 /nfs/dbraw/zinc/23/44/65/1278234465.db2.gz XQOJKXUKVQKZMK-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001325682317 1264968038 /nfs/dbraw/zinc/96/80/38/1264968038.db2.gz WRIIRNRUBPLZGS-HNNXBMFYSA-N 2 2 362.478 0.418 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC001326623991 1265145044 /nfs/dbraw/zinc/14/50/44/1265145044.db2.gz QBWITPSYFIZQPP-BEFAXECRSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC001326623991 1265145048 /nfs/dbraw/zinc/14/50/48/1265145048.db2.gz QBWITPSYFIZQPP-BEFAXECRSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001513951267 1265304028 /nfs/dbraw/zinc/30/40/28/1265304028.db2.gz WVTIJXWHYJZQLH-BRWVUGGUSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001513951267 1265304042 /nfs/dbraw/zinc/30/40/42/1265304042.db2.gz WVTIJXWHYJZQLH-BRWVUGGUSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC001327531660 1265350995 /nfs/dbraw/zinc/35/09/95/1265350995.db2.gz UCRYQAIDBWHRMQ-KRWDZBQOSA-N 2 2 373.501 0.767 20 0 FCADLP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001332977022 1266513701 /nfs/dbraw/zinc/51/37/01/1266513701.db2.gz VPSXACJEJOUUQH-NWDGAFQWSA-N 2 2 370.404 0.297 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C[C@H]2C1 ZINC001333645333 1266664430 /nfs/dbraw/zinc/66/44/30/1266664430.db2.gz GASPEAOLXBVDPG-HLLBOEOZSA-N 2 2 354.520 0.397 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C[C@H]2C1 ZINC001333645333 1266664438 /nfs/dbraw/zinc/66/44/38/1266664438.db2.gz GASPEAOLXBVDPG-HLLBOEOZSA-N 2 2 354.520 0.397 20 0 FCADLP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1OCC(N)=O ZINC001334062960 1266802349 /nfs/dbraw/zinc/80/23/49/1266802349.db2.gz OQAVXMRNFVLUTJ-UHFFFAOYSA-N 2 2 359.430 0.615 20 0 FCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001334338042 1266954850 /nfs/dbraw/zinc/95/48/50/1266954850.db2.gz QJWCNJGPCPNVRL-RRFJBIMHSA-N 2 2 361.490 0.971 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001530107939 1267095450 /nfs/dbraw/zinc/09/54/50/1267095450.db2.gz CNWCRVIEGKYHML-ZWKOTPCHSA-N 2 2 364.534 0.977 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001530107939 1267095461 /nfs/dbraw/zinc/09/54/61/1267095461.db2.gz CNWCRVIEGKYHML-ZWKOTPCHSA-N 2 2 364.534 0.977 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1)C2 ZINC001334720870 1267151283 /nfs/dbraw/zinc/15/12/83/1267151283.db2.gz LETXMWUXZLOEKM-XLIONFOSSA-N 2 2 367.453 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001532265659 1267164821 /nfs/dbraw/zinc/16/48/21/1267164821.db2.gz CZNJBQKROLAANJ-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001541003928 1267473429 /nfs/dbraw/zinc/47/34/29/1267473429.db2.gz WVSOBVFSOPKWJP-UHFFFAOYSA-N 2 2 363.510 0.281 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccnc3OCCO)CC2)CC1 ZINC001542525851 1267498067 /nfs/dbraw/zinc/49/80/67/1267498067.db2.gz LEUPHWOMFOBSHK-UHFFFAOYSA-N 2 2 362.474 0.741 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001542527493 1267498484 /nfs/dbraw/zinc/49/84/84/1267498484.db2.gz WSXHRWGWROFJKP-UHFFFAOYSA-N 2 2 363.462 0.414 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C(C)C)CC1 ZINC001548417101 1267699784 /nfs/dbraw/zinc/69/97/84/1267699784.db2.gz FWQXMABBFCNGKL-HOTGVXAUSA-N 2 2 351.495 0.463 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C(C)C)CC1 ZINC001548417101 1267699789 /nfs/dbraw/zinc/69/97/89/1267699789.db2.gz FWQXMABBFCNGKL-HOTGVXAUSA-N 2 2 351.495 0.463 20 0 FCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)cn1 ZINC001548460550 1267716986 /nfs/dbraw/zinc/71/69/86/1267716986.db2.gz WJRUOSOOFCSXFN-UHFFFAOYSA-N 2 2 363.506 0.642 20 0 FCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)cn1 ZINC001548460550 1267716989 /nfs/dbraw/zinc/71/69/89/1267716989.db2.gz WJRUOSOOFCSXFN-UHFFFAOYSA-N 2 2 363.506 0.642 20 0 FCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC001548897269 1267767257 /nfs/dbraw/zinc/76/72/57/1267767257.db2.gz MPYVIPCWWZVMJS-SUYBPPKGSA-N 2 2 362.478 0.864 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCC2)CCC(=O)N1C1CC1 ZINC001548898205 1267768608 /nfs/dbraw/zinc/76/86/08/1267768608.db2.gz ULBYMVAORUIUFD-YOEHRIQHSA-N 2 2 360.462 0.620 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001549114415 1267813854 /nfs/dbraw/zinc/81/38/54/1267813854.db2.gz RQXRHXJDXRRLKT-MHORFTMASA-N 2 2 351.491 0.713 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@@H]2C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001549114415 1267813861 /nfs/dbraw/zinc/81/38/61/1267813861.db2.gz RQXRHXJDXRRLKT-MHORFTMASA-N 2 2 351.491 0.713 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001549154028 1267832249 /nfs/dbraw/zinc/83/22/49/1267832249.db2.gz TWPNZSPADSGORF-JKIFEVAISA-N 2 2 360.462 0.523 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001549154028 1267832256 /nfs/dbraw/zinc/83/22/56/1267832256.db2.gz TWPNZSPADSGORF-JKIFEVAISA-N 2 2 360.462 0.523 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC001549158498 1267839240 /nfs/dbraw/zinc/83/92/40/1267839240.db2.gz LVCLFNRATDHIRR-YOEHRIQHSA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001549160581 1267839823 /nfs/dbraw/zinc/83/98/23/1267839823.db2.gz DSLYMUISGVKVKO-FNHZYXHNSA-N 2 2 374.489 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001549160581 1267839840 /nfs/dbraw/zinc/83/98/40/1267839840.db2.gz DSLYMUISGVKVKO-FNHZYXHNSA-N 2 2 374.489 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001549176807 1267853255 /nfs/dbraw/zinc/85/32/55/1267853255.db2.gz XKXQQBBOVYNRDX-JTOWHCCKSA-N 2 2 374.489 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC001549176453 1267853519 /nfs/dbraw/zinc/85/35/19/1267853519.db2.gz GZXSBYPWUPKSTC-YOEHRIQHSA-N 2 2 374.420 0.837 20 0 FCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC001549239487 1267871565 /nfs/dbraw/zinc/87/15/65/1267871565.db2.gz VTOKENPDFYDYLQ-MAUKXSAKSA-N 2 2 374.489 0.818 20 0 FCADLP CN1CC[NH+]([C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC001549999238 1268040772 /nfs/dbraw/zinc/04/07/72/1268040772.db2.gz CJYWKLKULRRXSI-GOSISDBHSA-N 2 2 364.534 0.870 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)nn1 ZINC001550095931 1268074146 /nfs/dbraw/zinc/07/41/46/1268074146.db2.gz RJNJVPXDKXUAOY-NEPJUHHUSA-N 2 2 357.340 0.900 20 0 FCADLP O=C(CCN1C[C@H]2CCC[N@H+]2C[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC001550143641 1268080762 /nfs/dbraw/zinc/08/07/62/1268080762.db2.gz DVKZYJKTLNQUFI-MSOLQXFVSA-N 2 2 373.501 0.261 20 0 FCADLP O=C(CCN1C[C@H]2CCC[N@@H+]2C[C@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC001550143641 1268080773 /nfs/dbraw/zinc/08/07/73/1268080773.db2.gz DVKZYJKTLNQUFI-MSOLQXFVSA-N 2 2 373.501 0.261 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539941 1268129756 /nfs/dbraw/zinc/12/97/56/1268129756.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539941 1268129761 /nfs/dbraw/zinc/12/97/61/1268129761.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539941 1268129764 /nfs/dbraw/zinc/12/97/64/1268129764.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C1 ZINC001550539941 1268129768 /nfs/dbraw/zinc/12/97/68/1268129768.db2.gz QNXUMHCPPDAAKO-FGTMMUONSA-N 3 2 352.523 0.343 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541618 1268130643 /nfs/dbraw/zinc/13/06/43/1268130643.db2.gz AQASPLQFNLQTDE-HZPDHXFCSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550541618 1268130646 /nfs/dbraw/zinc/13/06/46/1268130646.db2.gz AQASPLQFNLQTDE-HZPDHXFCSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550541618 1268130651 /nfs/dbraw/zinc/13/06/51/1268130651.db2.gz AQASPLQFNLQTDE-HZPDHXFCSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550541618 1268130656 /nfs/dbraw/zinc/13/06/56/1268130656.db2.gz AQASPLQFNLQTDE-HZPDHXFCSA-N 2 2 374.485 0.942 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550565871 1268134557 /nfs/dbraw/zinc/13/45/57/1268134557.db2.gz FZTNOYUJNQIGDG-XMTFNYHQSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C[C@@H]21 ZINC001550762952 1268164276 /nfs/dbraw/zinc/16/42/76/1268164276.db2.gz QOUNWBAOQAEREK-OWCLPIDISA-N 2 2 352.479 0.260 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CC4(CCOCC4)C3)C[C@@H]21 ZINC001550762952 1268164278 /nfs/dbraw/zinc/16/42/78/1268164278.db2.gz QOUNWBAOQAEREK-OWCLPIDISA-N 2 2 352.479 0.260 20 0 FCADLP O=C(NCc1cnn2c1C[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001550758061 1268164302 /nfs/dbraw/zinc/16/43/02/1268164302.db2.gz SDZPEFPMAJRSMQ-CALCHBBNSA-N 3 2 373.505 0.097 20 0 FCADLP O=C(NCc1cnn2c1C[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001550758061 1268164306 /nfs/dbraw/zinc/16/43/06/1268164306.db2.gz SDZPEFPMAJRSMQ-CALCHBBNSA-N 3 2 373.505 0.097 20 0 FCADLP O=C(NCc1cnn2c1CNCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001550758061 1268164313 /nfs/dbraw/zinc/16/43/13/1268164313.db2.gz SDZPEFPMAJRSMQ-CALCHBBNSA-N 2 2 373.505 0.097 20 0 FCADLP O=C(NCc1cnn2c1CNCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001550758061 1268164315 /nfs/dbraw/zinc/16/43/15/1268164315.db2.gz SDZPEFPMAJRSMQ-CALCHBBNSA-N 2 2 373.505 0.097 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@H]1C ZINC001339148305 1268176100 /nfs/dbraw/zinc/17/61/00/1268176100.db2.gz WRRUENYRENHIAP-CABCVRRESA-N 2 2 350.511 0.938 20 0 FCADLP CC[N@H+]1C[C@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@H]1C ZINC001339148305 1268176101 /nfs/dbraw/zinc/17/61/01/1268176101.db2.gz WRRUENYRENHIAP-CABCVRRESA-N 2 2 350.511 0.938 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@@H]1C ZINC001339148306 1268176317 /nfs/dbraw/zinc/17/63/17/1268176317.db2.gz WRRUENYRENHIAP-GJZGRUSLSA-N 2 2 350.511 0.938 20 0 FCADLP CC[N@H+]1C[C@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@@H]1C ZINC001339148306 1268176320 /nfs/dbraw/zinc/17/63/20/1268176320.db2.gz WRRUENYRENHIAP-GJZGRUSLSA-N 2 2 350.511 0.938 20 0 FCADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551274796 1268219328 /nfs/dbraw/zinc/21/93/28/1268219328.db2.gz PWHXFGLTIQANSO-TVRKMHQQSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001551274796 1268219333 /nfs/dbraw/zinc/21/93/33/1268219333.db2.gz PWHXFGLTIQANSO-TVRKMHQQSA-N 2 2 368.522 0.992 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001551284240 1268222350 /nfs/dbraw/zinc/22/23/50/1268222350.db2.gz MTPYDEZMPVMMQK-PQUAAJSLSA-N 2 2 354.495 0.650 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585308 1268279767 /nfs/dbraw/zinc/27/97/67/1268279767.db2.gz ANJFCMPATIGJQO-QAPCUYQASA-N 2 2 370.457 0.780 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933634 1268311773 /nfs/dbraw/zinc/31/17/73/1268311773.db2.gz CSYYQWIYONHIAE-RBSFLKMASA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551933634 1268311784 /nfs/dbraw/zinc/31/17/84/1268311784.db2.gz CSYYQWIYONHIAE-RBSFLKMASA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551941648 1268318657 /nfs/dbraw/zinc/31/86/57/1268318657.db2.gz UNVNGVCBNGQDKV-LSDHHAIUSA-N 2 2 362.478 0.501 20 0 FCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC001552013303 1268351401 /nfs/dbraw/zinc/35/14/01/1268351401.db2.gz YVHRYNTXGHVUMQ-DLBZAZTESA-N 2 2 368.522 0.992 20 0 FCADLP Cc1cccc(C[NH+]2CCN(c3nnc(C4=[NH+]O[C@H](CO)C4)n3C)CC2)c1 ZINC001339899797 1268364232 /nfs/dbraw/zinc/36/42/32/1268364232.db2.gz BTGNCKHBMGGPRH-INIZCTEOSA-N 2 2 370.457 0.931 20 0 FCADLP CO[C@@H]1CCCCN(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111985 1268378600 /nfs/dbraw/zinc/37/86/00/1268378600.db2.gz ZXAPRFYWMCOURU-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1CCCCN(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111985 1268378610 /nfs/dbraw/zinc/37/86/10/1268378610.db2.gz ZXAPRFYWMCOURU-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552149137 1268394223 /nfs/dbraw/zinc/39/42/23/1268394223.db2.gz SFVQWCGOXVBQLX-GJZGRUSLSA-N 2 2 369.473 0.648 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001552188230 1268406154 /nfs/dbraw/zinc/40/61/54/1268406154.db2.gz UWZPRFXLNGHYPV-PBHICJAKSA-N 2 2 372.535 0.266 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC001340027549 1268409495 /nfs/dbraw/zinc/40/94/95/1268409495.db2.gz TULZFSSUBBUFLR-MRXNPFEDSA-N 2 2 352.504 0.882 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)c1nnc(N(C)CC[NH+]2CCCCC2)n1C ZINC001340055532 1268419792 /nfs/dbraw/zinc/41/97/92/1268419792.db2.gz SPNBGDZSUUAYSK-INIZCTEOSA-N 2 2 374.493 0.880 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)c1nnc(N(C)CC[NH+]2CCCCC2)n1C ZINC001340055532 1268419794 /nfs/dbraw/zinc/41/97/94/1268419794.db2.gz SPNBGDZSUUAYSK-INIZCTEOSA-N 2 2 374.493 0.880 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001580499757 1278408303 /nfs/dbraw/zinc/40/83/03/1278408303.db2.gz TYULSMVRIMPOQP-UHFFFAOYSA-N 2 2 372.408 0.876 20 0 FCADLP O=C(CC1(O)CC[NH2+]CC1)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001580500522 1278409079 /nfs/dbraw/zinc/40/90/79/1278409079.db2.gz GQEVQSYHUFBGBT-ZWKOTPCHSA-N 2 2 359.470 0.603 20 0 FCADLP O=C(CC1(O)CC[NH2+]CC1)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001580500522 1278409083 /nfs/dbraw/zinc/40/90/83/1278409083.db2.gz GQEVQSYHUFBGBT-ZWKOTPCHSA-N 2 2 359.470 0.603 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001552311638 1268439539 /nfs/dbraw/zinc/43/95/39/1268439539.db2.gz AXVFNIJYWHWMCD-QBPKDAKJSA-N 2 2 354.495 0.384 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001552311638 1268439544 /nfs/dbraw/zinc/43/95/44/1268439544.db2.gz AXVFNIJYWHWMCD-QBPKDAKJSA-N 2 2 354.495 0.384 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001340140445 1268447979 /nfs/dbraw/zinc/44/79/79/1268447979.db2.gz UMIXCEMNYYXBAX-GOSISDBHSA-N 2 2 362.474 0.947 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155601 1268453408 /nfs/dbraw/zinc/45/34/08/1268453408.db2.gz XBRIFYSLQJGEHR-ZBFHGGJFSA-N 2 2 374.551 0.477 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155601 1268453411 /nfs/dbraw/zinc/45/34/11/1268453411.db2.gz XBRIFYSLQJGEHR-ZBFHGGJFSA-N 2 2 374.551 0.477 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001552370048 1268453758 /nfs/dbraw/zinc/45/37/58/1268453758.db2.gz VTGTZLYFHLPORJ-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001552370048 1268453764 /nfs/dbraw/zinc/45/37/64/1268453764.db2.gz VTGTZLYFHLPORJ-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001552370049 1268453891 /nfs/dbraw/zinc/45/38/91/1268453891.db2.gz VTGTZLYFHLPORJ-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001552370049 1268453899 /nfs/dbraw/zinc/45/38/99/1268453899.db2.gz VTGTZLYFHLPORJ-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP [NH3+]C[C@H](O)CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001340169773 1268457283 /nfs/dbraw/zinc/45/72/83/1268457283.db2.gz VYRSDJYGLWETBZ-CYBMUJFWSA-N 2 2 361.364 0.939 20 0 FCADLP C[C@H]1C[NH+](CCN(C)C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC001552427749 1268459464 /nfs/dbraw/zinc/45/94/64/1268459464.db2.gz UCLFBPJPGJUJQE-KBPBESRZSA-N 2 2 350.467 0.384 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)cn1 ZINC001552436753 1268463178 /nfs/dbraw/zinc/46/31/78/1268463178.db2.gz HCCKHUGQEGURMG-UHFFFAOYSA-N 2 2 372.477 0.284 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)cn1 ZINC001552436753 1268463182 /nfs/dbraw/zinc/46/31/82/1268463182.db2.gz HCCKHUGQEGURMG-UHFFFAOYSA-N 2 2 372.477 0.284 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580501643 1278411747 /nfs/dbraw/zinc/41/17/47/1278411747.db2.gz LNUXMHNULARSBV-LBPRGKRZSA-N 2 2 368.445 0.983 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1n1ccnn1 ZINC001552605828 1268489174 /nfs/dbraw/zinc/48/91/74/1268489174.db2.gz SRYIYEYHGOWIPF-BZUAXINKSA-N 2 2 370.461 0.449 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001340334580 1268512979 /nfs/dbraw/zinc/51/29/79/1268512979.db2.gz DLEFDTOECIJKOU-INIZCTEOSA-N 2 2 368.522 0.402 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC001552691882 1268521738 /nfs/dbraw/zinc/52/17/38/1268521738.db2.gz XNGBORODTXHWJD-ZMSDIMECSA-N 2 2 362.478 0.657 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CN3CC[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924525 1268566509 /nfs/dbraw/zinc/56/65/09/1268566509.db2.gz CBHHVNBVBJYRLP-OALUTQOASA-N 2 2 364.534 0.931 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001553143510 1268597567 /nfs/dbraw/zinc/59/75/67/1268597567.db2.gz DAHDKKVJTVATRX-LNLFQRSKSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC001553143510 1268597569 /nfs/dbraw/zinc/59/75/69/1268597569.db2.gz DAHDKKVJTVATRX-LNLFQRSKSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@@H+]1CC[C@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368420 1268638260 /nfs/dbraw/zinc/63/82/60/1268638260.db2.gz GSMLDZOJIHQKEZ-PXNSSMCTSA-N 3 2 364.534 0.679 20 0 FCADLP C[N@H+]1CC[C@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@H]2C1 ZINC001553368420 1268638267 /nfs/dbraw/zinc/63/82/67/1268638267.db2.gz GSMLDZOJIHQKEZ-PXNSSMCTSA-N 3 2 364.534 0.679 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001553414699 1268647550 /nfs/dbraw/zinc/64/75/50/1268647550.db2.gz RWCDAFSURZZNGS-RFZNHBKKSA-N 2 2 359.470 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC001553414699 1268647556 /nfs/dbraw/zinc/64/75/56/1268647556.db2.gz RWCDAFSURZZNGS-RFZNHBKKSA-N 2 2 359.470 0.772 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553502202 1268660281 /nfs/dbraw/zinc/66/02/81/1268660281.db2.gz LDFJKHLEXHVNQQ-CWRNSKLLSA-N 3 2 371.476 0.841 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553502202 1268660287 /nfs/dbraw/zinc/66/02/87/1268660287.db2.gz LDFJKHLEXHVNQQ-CWRNSKLLSA-N 3 2 371.476 0.841 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)n1 ZINC001553530089 1268663929 /nfs/dbraw/zinc/66/39/29/1268663929.db2.gz QUFQXWXDJXPXHS-CYBMUJFWSA-N 2 2 353.492 0.773 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001341118083 1268792397 /nfs/dbraw/zinc/79/23/97/1268792397.db2.gz DOPFCWSPGNDNMM-BVIKNXMNSA-N 2 2 373.501 0.925 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001558680135 1269129640 /nfs/dbraw/zinc/12/96/40/1269129640.db2.gz MZHZDCWORNZLEU-NVXWUHKLSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001558680135 1269129643 /nfs/dbraw/zinc/12/96/43/1269129643.db2.gz MZHZDCWORNZLEU-NVXWUHKLSA-N 2 2 361.490 0.941 20 0 FCADLP COc1cccc2c1CC[C@]2([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001341716973 1269167053 /nfs/dbraw/zinc/16/70/53/1269167053.db2.gz LZAHXGLFORYAIF-MGPUTAFESA-N 2 2 359.470 0.976 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001341731980 1269175790 /nfs/dbraw/zinc/17/57/90/1269175790.db2.gz GWEGRAJIGNKQGA-KLHDSHLOSA-N 2 2 359.474 0.630 20 0 FCADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001560327920 1269201185 /nfs/dbraw/zinc/20/11/85/1269201185.db2.gz ZTYSTIJRUNISGK-QGZVFWFLSA-N 2 2 367.515 0.586 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC001580551329 1278484402 /nfs/dbraw/zinc/48/44/02/1278484402.db2.gz DJCFEVYYUUJSEN-MOPGFXCFSA-N 2 2 370.497 0.967 20 0 FCADLP O=C(C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC001580551329 1278484410 /nfs/dbraw/zinc/48/44/10/1278484410.db2.gz DJCFEVYYUUJSEN-MOPGFXCFSA-N 2 2 370.497 0.967 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001565977231 1269538155 /nfs/dbraw/zinc/53/81/55/1269538155.db2.gz UZEWVDSCESIRBH-PVAVHDDUSA-N 2 2 352.479 0.577 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001566235347 1269623769 /nfs/dbraw/zinc/62/37/69/1269623769.db2.gz QGJRNNQBPFYVPU-OTWHNJEPSA-N 2 2 361.486 0.483 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001566235347 1269623777 /nfs/dbraw/zinc/62/37/77/1269623777.db2.gz QGJRNNQBPFYVPU-OTWHNJEPSA-N 2 2 361.486 0.483 20 0 FCADLP CN1CC[NH2+]C[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001343371423 1269883163 /nfs/dbraw/zinc/88/31/63/1269883163.db2.gz KPNFJGGRVQXYHU-KRWDZBQOSA-N 2 2 359.474 0.109 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O)CC(C)(C)C ZINC001343740939 1269997808 /nfs/dbraw/zinc/99/78/08/1269997808.db2.gz SOZJNBBYYODSEG-KGLIPLIRSA-N 2 2 365.478 0.008 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O)CC(C)(C)C ZINC001343740939 1269997814 /nfs/dbraw/zinc/99/78/14/1269997814.db2.gz SOZJNBBYYODSEG-KGLIPLIRSA-N 2 2 365.478 0.008 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001344162762 1270106763 /nfs/dbraw/zinc/10/67/63/1270106763.db2.gz YWDIKQYGLGPRPY-ARFHVFGLSA-N 2 2 370.457 0.788 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574260275 1271131190 /nfs/dbraw/zinc/13/11/90/1271131190.db2.gz DYIHMLCDXHSGKC-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574260275 1271131199 /nfs/dbraw/zinc/13/11/99/1271131199.db2.gz DYIHMLCDXHSGKC-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574260275 1271131204 /nfs/dbraw/zinc/13/12/04/1271131204.db2.gz DYIHMLCDXHSGKC-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574260275 1271131211 /nfs/dbraw/zinc/13/12/11/1271131211.db2.gz DYIHMLCDXHSGKC-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001580640787 1278613238 /nfs/dbraw/zinc/61/32/38/1278613238.db2.gz QAWMSOXBAIOUNX-YRXWBPOGSA-N 2 2 358.486 0.695 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001574775637 1271508979 /nfs/dbraw/zinc/50/89/79/1271508979.db2.gz MHNXRPWSJQOVTQ-XJKSGUPXSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001574775637 1271508982 /nfs/dbraw/zinc/50/89/82/1271508982.db2.gz MHNXRPWSJQOVTQ-XJKSGUPXSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574775637 1271508989 /nfs/dbraw/zinc/50/89/89/1271508989.db2.gz MHNXRPWSJQOVTQ-XJKSGUPXSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574775637 1271508997 /nfs/dbraw/zinc/50/89/97/1271508997.db2.gz MHNXRPWSJQOVTQ-XJKSGUPXSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574805737 1271546275 /nfs/dbraw/zinc/54/62/75/1271546275.db2.gz YDESPGORVOUXDZ-LBPRGKRZSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)(C)OC(=O)[C@]1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149901 1271748823 /nfs/dbraw/zinc/74/88/23/1271748823.db2.gz OUJZIFFZPCADGA-SCLBCKFNSA-N 2 2 355.479 0.676 20 0 FCADLP CC(C)(C)OC(=O)[C@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149901 1271748830 /nfs/dbraw/zinc/74/88/30/1271748830.db2.gz OUJZIFFZPCADGA-SCLBCKFNSA-N 2 2 355.479 0.676 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1(C2(O)C[NH2+]C2)CCC1 ZINC001580660387 1278657545 /nfs/dbraw/zinc/65/75/45/1278657545.db2.gz BBRNAODKSTUCPJ-QGZVFWFLSA-N 2 2 359.470 0.508 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1(C2(O)C[NH2+]C2)CCC1 ZINC001580660387 1278657556 /nfs/dbraw/zinc/65/75/56/1278657556.db2.gz BBRNAODKSTUCPJ-QGZVFWFLSA-N 2 2 359.470 0.508 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC3C[NH2+]C3)C2)CC1 ZINC001575196781 1271781148 /nfs/dbraw/zinc/78/11/48/1271781148.db2.gz ZGRZBKUOVJXFPP-AWEZNQCLSA-N 2 2 353.467 0.295 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575377923 1272021665 /nfs/dbraw/zinc/02/16/65/1272021665.db2.gz FCGGYSUNEJIAML-GHMZBOCLSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575390757 1272037582 /nfs/dbraw/zinc/03/75/82/1272037582.db2.gz DCYZSIFAUVQKFW-QWRGUYRKSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575402594 1272051191 /nfs/dbraw/zinc/05/11/91/1272051191.db2.gz TUWVNPFJABQYPK-STQMWFEESA-N 2 2 354.418 0.746 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001575407020 1272057820 /nfs/dbraw/zinc/05/78/20/1272057820.db2.gz CQCMFNUPZRPMEI-UHFFFAOYSA-N 2 2 364.494 0.775 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001575407020 1272057827 /nfs/dbraw/zinc/05/78/27/1272057827.db2.gz CQCMFNUPZRPMEI-UHFFFAOYSA-N 2 2 364.494 0.775 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001575407020 1272057833 /nfs/dbraw/zinc/05/78/33/1272057833.db2.gz CQCMFNUPZRPMEI-UHFFFAOYSA-N 2 2 364.494 0.775 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001575407020 1272057840 /nfs/dbraw/zinc/05/78/40/1272057840.db2.gz CQCMFNUPZRPMEI-UHFFFAOYSA-N 2 2 364.494 0.775 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421494 1272083788 /nfs/dbraw/zinc/08/37/88/1272083788.db2.gz VKQJKZXPBPLDST-FUHWJXTLSA-N 2 2 364.494 0.511 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421494 1272083801 /nfs/dbraw/zinc/08/38/01/1272083801.db2.gz VKQJKZXPBPLDST-FUHWJXTLSA-N 2 2 364.494 0.511 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2c[nH]nn2)CC1 ZINC001575421290 1272084252 /nfs/dbraw/zinc/08/42/52/1272084252.db2.gz SMJCWOILZIRVQQ-OAHLLOKOSA-N 2 2 350.467 0.121 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]Cc2c[nH]nn2)CC1 ZINC001575421290 1272084263 /nfs/dbraw/zinc/08/42/63/1272084263.db2.gz SMJCWOILZIRVQQ-OAHLLOKOSA-N 2 2 350.467 0.121 20 0 FCADLP C[C@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695978 1272313482 /nfs/dbraw/zinc/31/34/82/1272313482.db2.gz KQLVFXBKMNEDNL-YOEHRIQHSA-N 2 2 364.494 0.775 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575819844 1272478038 /nfs/dbraw/zinc/47/80/38/1272478038.db2.gz XPAOCQZTRGNLFV-GOSISDBHSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575819844 1272478039 /nfs/dbraw/zinc/47/80/39/1272478039.db2.gz XPAOCQZTRGNLFV-GOSISDBHSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020897 1272723967 /nfs/dbraw/zinc/72/39/67/1272723967.db2.gz HGGZRMHGVVRXJT-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576065286 1272816525 /nfs/dbraw/zinc/81/65/25/1272816525.db2.gz LCTUMLITLKAQOE-ARFHVFGLSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@H]([NH3+])C1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001576103907 1272887030 /nfs/dbraw/zinc/88/70/30/1272887030.db2.gz UBWWMOKHUATBCG-JKSUJKDBSA-N 2 2 355.479 0.080 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122539 1272915681 /nfs/dbraw/zinc/91/56/81/1272915681.db2.gz DNVVLCWCBGCFMN-CRAIPNDOSA-N 2 2 356.474 0.916 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122539 1272915686 /nfs/dbraw/zinc/91/56/86/1272915686.db2.gz DNVVLCWCBGCFMN-CRAIPNDOSA-N 2 2 356.474 0.916 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576270511 1273069811 /nfs/dbraw/zinc/06/98/11/1273069811.db2.gz JVOLBZSUXZJERQ-BBRMVZONSA-N 2 2 366.429 0.700 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499608 1273362315 /nfs/dbraw/zinc/36/23/15/1273362315.db2.gz LUWFODKZSCQCKV-HZPDHXFCSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499608 1273362325 /nfs/dbraw/zinc/36/23/25/1273362325.db2.gz LUWFODKZSCQCKV-HZPDHXFCSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)[NH+](C)C ZINC001576506713 1273378466 /nfs/dbraw/zinc/37/84/66/1273378466.db2.gz STZWHEGAOVWPIC-AWEZNQCLSA-N 2 2 358.450 0.687 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557606 1273437287 /nfs/dbraw/zinc/43/72/87/1273437287.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557606 1273437290 /nfs/dbraw/zinc/43/72/90/1273437290.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557606 1273437295 /nfs/dbraw/zinc/43/72/95/1273437295.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557606 1273437300 /nfs/dbraw/zinc/43/73/00/1273437300.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557606 1273437303 /nfs/dbraw/zinc/43/73/03/1273437303.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557606 1273437306 /nfs/dbraw/zinc/43/73/06/1273437306.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557606 1273437312 /nfs/dbraw/zinc/43/73/12/1273437312.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557606 1273437317 /nfs/dbraw/zinc/43/73/17/1273437317.db2.gz RZRPBYDFHGLQLX-CVEARBPZSA-N 2 2 364.494 0.285 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001576612002 1273480146 /nfs/dbraw/zinc/48/01/46/1273480146.db2.gz PCPMAZZXGUUBBX-UKRRQHHQSA-N 2 2 358.446 0.166 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576836330 1273770655 /nfs/dbraw/zinc/77/06/55/1273770655.db2.gz LZDFPHPULTWUOS-AWEZNQCLSA-N 2 2 354.418 0.817 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576836577 1273770924 /nfs/dbraw/zinc/77/09/24/1273770924.db2.gz RFTKXCSVDFJKPR-ZDUSSCGKSA-N 2 2 372.408 0.956 20 0 FCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH2+]CCc3cn[nH]n3)CC2)n[nH]1 ZINC001576911623 1273925781 /nfs/dbraw/zinc/92/57/81/1273925781.db2.gz YCABXHLZMLYBAB-QGZVFWFLSA-N 2 2 372.477 0.731 20 0 FCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC([NH2+]CCc3cn[nH]n3)CC2)n[nH]1 ZINC001576911623 1273925784 /nfs/dbraw/zinc/92/57/84/1273925784.db2.gz YCABXHLZMLYBAB-QGZVFWFLSA-N 2 2 372.477 0.731 20 0 FCADLP COCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001577007519 1274046649 /nfs/dbraw/zinc/04/66/49/1274046649.db2.gz ISLMTASMEXNZIJ-UHFFFAOYSA-N 2 2 362.478 0.340 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001577040470 1274103395 /nfs/dbraw/zinc/10/33/95/1274103395.db2.gz OESGXPPLFOUNRK-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001577040470 1274103401 /nfs/dbraw/zinc/10/34/01/1274103401.db2.gz OESGXPPLFOUNRK-HZPDHXFCSA-N 2 2 350.467 0.039 20 0 FCADLP CC[C@@H](Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)CC[NH+]1CCOCC1)OC ZINC001577103800 1274161853 /nfs/dbraw/zinc/16/18/53/1274161853.db2.gz ABJKMAJVSDFFNH-XHSDSOJGSA-N 2 2 366.510 0.676 20 0 FCADLP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001577477430 1274434047 /nfs/dbraw/zinc/43/40/47/1274434047.db2.gz RDOZGOUERRCVHY-CZUORRHYSA-N 2 2 372.477 0.865 20 0 FCADLP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001577477430 1274434055 /nfs/dbraw/zinc/43/40/55/1274434055.db2.gz RDOZGOUERRCVHY-CZUORRHYSA-N 2 2 372.477 0.865 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577559321 1274506340 /nfs/dbraw/zinc/50/63/40/1274506340.db2.gz WSYDBUWVAQZVSV-KRWDZBQOSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577559321 1274506350 /nfs/dbraw/zinc/50/63/50/1274506350.db2.gz WSYDBUWVAQZVSV-KRWDZBQOSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@H+](C)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577560434 1274507940 /nfs/dbraw/zinc/50/79/40/1274507940.db2.gz FBAPERWPICPEJY-UHFFFAOYSA-N 2 2 358.450 0.476 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577560434 1274507948 /nfs/dbraw/zinc/50/79/48/1274507948.db2.gz FBAPERWPICPEJY-UHFFFAOYSA-N 2 2 358.450 0.476 20 0 FCADLP CCC[N@H+](C)CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577563050 1274516064 /nfs/dbraw/zinc/51/60/64/1274516064.db2.gz LBRUMQWVIVMBHI-UHFFFAOYSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001577563050 1274516073 /nfs/dbraw/zinc/51/60/73/1274516073.db2.gz LBRUMQWVIVMBHI-UHFFFAOYSA-N 2 2 358.450 0.689 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]3C[N@@H+](CCc4cn[nH]n4)C[C@@H]3C1)C2 ZINC001577572210 1274536327 /nfs/dbraw/zinc/53/63/27/1274536327.db2.gz QIVDOFSZBWECDX-OAGGEKHMSA-N 2 2 369.473 0.505 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]3C[N@H+](CCc4cn[nH]n4)C[C@@H]3C1)C2 ZINC001577572210 1274536331 /nfs/dbraw/zinc/53/63/31/1274536331.db2.gz QIVDOFSZBWECDX-OAGGEKHMSA-N 2 2 369.473 0.505 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]3C[N@@H+](CCc4c[nH]nn4)C[C@@H]3C1)C2 ZINC001577572210 1274536336 /nfs/dbraw/zinc/53/63/36/1274536336.db2.gz QIVDOFSZBWECDX-OAGGEKHMSA-N 2 2 369.473 0.505 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H]3C[N@H+](CCc4c[nH]nn4)C[C@@H]3C1)C2 ZINC001577572210 1274536341 /nfs/dbraw/zinc/53/63/41/1274536341.db2.gz QIVDOFSZBWECDX-OAGGEKHMSA-N 2 2 369.473 0.505 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577594510 1274559808 /nfs/dbraw/zinc/55/98/08/1274559808.db2.gz GQSJUSRAZIOTRX-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577594510 1274559813 /nfs/dbraw/zinc/55/98/13/1274559813.db2.gz GQSJUSRAZIOTRX-HNNXBMFYSA-N 2 2 358.450 0.689 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758311 1274838039 /nfs/dbraw/zinc/83/80/39/1274838039.db2.gz KLELZHIHVPWPBD-DOTOQJQBSA-N 2 2 362.478 0.181 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758311 1274838045 /nfs/dbraw/zinc/83/80/45/1274838045.db2.gz KLELZHIHVPWPBD-DOTOQJQBSA-N 2 2 362.478 0.181 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001577804802 1274908346 /nfs/dbraw/zinc/90/83/46/1274908346.db2.gz DUIWGVLKFFPGCK-MRXNPFEDSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCc2cn[nH]n2)C1 ZINC001577804802 1274908351 /nfs/dbraw/zinc/90/83/51/1274908351.db2.gz DUIWGVLKFFPGCK-MRXNPFEDSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001577804802 1274908360 /nfs/dbraw/zinc/90/83/60/1274908360.db2.gz DUIWGVLKFFPGCK-MRXNPFEDSA-N 2 2 350.467 0.040 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cnn[nH]1 ZINC001577873040 1275063632 /nfs/dbraw/zinc/06/36/32/1275063632.db2.gz TXIKQRVHMUHEIK-HOCLYGCPSA-N 2 2 350.467 0.292 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001577898686 1275108158 /nfs/dbraw/zinc/10/81/58/1275108158.db2.gz FHLBVDCKOMYRHF-OCCSQVGLSA-N 2 2 358.450 0.687 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577899292 1275110406 /nfs/dbraw/zinc/11/04/06/1275110406.db2.gz XLNONJQRNALNGI-INWMFGNUSA-N 2 2 370.461 0.829 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001578027308 1275300614 /nfs/dbraw/zinc/30/06/14/1275300614.db2.gz KBQXUDIYZKCRKE-HNNXBMFYSA-N 2 2 373.461 0.825 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001578027308 1275300623 /nfs/dbraw/zinc/30/06/23/1275300623.db2.gz KBQXUDIYZKCRKE-HNNXBMFYSA-N 2 2 373.461 0.825 20 0 FCADLP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001578134946 1275433710 /nfs/dbraw/zinc/43/37/10/1275433710.db2.gz HJWLOZWAWCJTFO-OAHLLOKOSA-N 2 2 365.526 0.378 20 0 FCADLP CCOCc1nnc(N2CC[C@@H]([NH3+])C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001578134946 1275433713 /nfs/dbraw/zinc/43/37/13/1275433713.db2.gz HJWLOZWAWCJTFO-OAHLLOKOSA-N 2 2 365.526 0.378 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001578136249 1275434720 /nfs/dbraw/zinc/43/47/20/1275434720.db2.gz ORXRVWMBAFZZSR-OAHLLOKOSA-N 2 2 358.450 0.428 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001578136249 1275434729 /nfs/dbraw/zinc/43/47/29/1275434729.db2.gz ORXRVWMBAFZZSR-OAHLLOKOSA-N 2 2 358.450 0.428 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220967 1275518345 /nfs/dbraw/zinc/51/83/45/1275518345.db2.gz FVQBWPJUDFZTFV-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578220967 1275518347 /nfs/dbraw/zinc/51/83/47/1275518347.db2.gz FVQBWPJUDFZTFV-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532689 1275963318 /nfs/dbraw/zinc/96/33/18/1275963318.db2.gz SELDKSGBETWEKU-KBPBESRZSA-N 2 2 355.483 0.589 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532689 1275963324 /nfs/dbraw/zinc/96/33/24/1275963324.db2.gz SELDKSGBETWEKU-KBPBESRZSA-N 2 2 355.483 0.589 20 0 FCADLP C[NH2+]C[C@@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578628866 1276075467 /nfs/dbraw/zinc/07/54/67/1276075467.db2.gz HXZXYOYHBJNPHN-MRXNPFEDSA-N 2 2 373.505 0.964 20 0 FCADLP C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001578654241 1276106109 /nfs/dbraw/zinc/10/61/09/1276106109.db2.gz KYCYJKAWFPXUKE-YCPHGPKFSA-N 2 2 352.479 0.748 20 0 FCADLP C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001578654241 1276106111 /nfs/dbraw/zinc/10/61/11/1276106111.db2.gz KYCYJKAWFPXUKE-YCPHGPKFSA-N 2 2 352.479 0.748 20 0 FCADLP CN(C(=O)C[NH+]1CCCC1)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578875886 1276405839 /nfs/dbraw/zinc/40/58/39/1276405839.db2.gz FCIGPPULSONGFO-INIZCTEOSA-N 2 2 370.461 0.428 20 0 FCADLP COC(=O)c1sccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578890901 1276423410 /nfs/dbraw/zinc/42/34/10/1276423410.db2.gz JGRCWOJNHQIAMV-XQQFMLRXSA-N 2 2 351.428 0.902 20 0 FCADLP COC(=O)c1sccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578890901 1276423416 /nfs/dbraw/zinc/42/34/16/1276423416.db2.gz JGRCWOJNHQIAMV-XQQFMLRXSA-N 2 2 351.428 0.902 20 0 FCADLP COC[C@@]1(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC[NH2+]C1 ZINC001578976007 1276525714 /nfs/dbraw/zinc/52/57/14/1276525714.db2.gz XZQVBLSLFXTATL-GOSISDBHSA-N 2 2 355.479 0.535 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578980931 1276542432 /nfs/dbraw/zinc/54/24/32/1276542432.db2.gz RCWCPHVYBBUSNY-CQSZACIVSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578980931 1276542435 /nfs/dbraw/zinc/54/24/35/1276542435.db2.gz RCWCPHVYBBUSNY-CQSZACIVSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001578983327 1276547800 /nfs/dbraw/zinc/54/78/00/1276547800.db2.gz IAVZYLYDAOUIRC-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579003498 1276571774 /nfs/dbraw/zinc/57/17/74/1276571774.db2.gz BFQBHLIZSJEINE-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579003498 1276571780 /nfs/dbraw/zinc/57/17/80/1276571780.db2.gz BFQBHLIZSJEINE-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001579132021 1276824211 /nfs/dbraw/zinc/82/42/11/1276824211.db2.gz JKTSCMRADYOVAN-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001579132021 1276824233 /nfs/dbraw/zinc/82/42/33/1276824233.db2.gz JKTSCMRADYOVAN-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579132021 1276824253 /nfs/dbraw/zinc/82/42/53/1276824253.db2.gz JKTSCMRADYOVAN-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579132021 1276824268 /nfs/dbraw/zinc/82/42/68/1276824268.db2.gz JKTSCMRADYOVAN-INIZCTEOSA-N 2 2 373.461 0.088 20 0 FCADLP COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579318930 1277135206 /nfs/dbraw/zinc/13/52/06/1277135206.db2.gz GAEJWZRGHWEMLN-ZIAGYGMSSA-N 2 2 371.445 0.609 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333905 1277168711 /nfs/dbraw/zinc/16/87/11/1277168711.db2.gz AKZRVYBVPYBZSI-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333905 1277168712 /nfs/dbraw/zinc/16/87/12/1277168712.db2.gz AKZRVYBVPYBZSI-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333905 1277168715 /nfs/dbraw/zinc/16/87/15/1277168715.db2.gz AKZRVYBVPYBZSI-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579333905 1277168716 /nfs/dbraw/zinc/16/87/16/1277168716.db2.gz AKZRVYBVPYBZSI-KGLIPLIRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335190 1277173718 /nfs/dbraw/zinc/17/37/18/1277173718.db2.gz NYCMHFGFUXSLEN-UKRRQHHQSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335190 1277173720 /nfs/dbraw/zinc/17/37/20/1277173720.db2.gz NYCMHFGFUXSLEN-UKRRQHHQSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335190 1277173725 /nfs/dbraw/zinc/17/37/25/1277173725.db2.gz NYCMHFGFUXSLEN-UKRRQHHQSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335190 1277173728 /nfs/dbraw/zinc/17/37/28/1277173728.db2.gz NYCMHFGFUXSLEN-UKRRQHHQSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579341354 1277189057 /nfs/dbraw/zinc/18/90/57/1277189057.db2.gz JHYHBHGLBTWRNF-MRXNPFEDSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579341354 1277189060 /nfs/dbraw/zinc/18/90/60/1277189060.db2.gz JHYHBHGLBTWRNF-MRXNPFEDSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001579353883 1277214955 /nfs/dbraw/zinc/21/49/55/1277214955.db2.gz VYXDTSJTKBXSSH-GJZGRUSLSA-N 2 2 370.461 0.427 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001579353883 1277214960 /nfs/dbraw/zinc/21/49/60/1277214960.db2.gz VYXDTSJTKBXSSH-GJZGRUSLSA-N 2 2 370.461 0.427 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356064 1277218896 /nfs/dbraw/zinc/21/88/96/1277218896.db2.gz IZXRWKKBAJPZIA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356064 1277218897 /nfs/dbraw/zinc/21/88/97/1277218897.db2.gz IZXRWKKBAJPZIA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356064 1277218900 /nfs/dbraw/zinc/21/89/00/1277218900.db2.gz IZXRWKKBAJPZIA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356064 1277218914 /nfs/dbraw/zinc/21/89/14/1277218914.db2.gz IZXRWKKBAJPZIA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579355310 1277220678 /nfs/dbraw/zinc/22/06/78/1277220678.db2.gz DSXZZTOUMVJCPI-HNNXBMFYSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579355310 1277220681 /nfs/dbraw/zinc/22/06/81/1277220681.db2.gz DSXZZTOUMVJCPI-HNNXBMFYSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579358735 1277227703 /nfs/dbraw/zinc/22/77/03/1277227703.db2.gz IYTAXJNOZLNCNO-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579358735 1277227704 /nfs/dbraw/zinc/22/77/04/1277227704.db2.gz IYTAXJNOZLNCNO-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366146 1277244777 /nfs/dbraw/zinc/24/47/77/1277244777.db2.gz OQCBIXLFMNDTTG-HOTGVXAUSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366146 1277244780 /nfs/dbraw/zinc/24/47/80/1277244780.db2.gz OQCBIXLFMNDTTG-HOTGVXAUSA-N 2 2 370.461 0.475 20 0 FCADLP Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CCSCCC[NH3+])cc[nH+]1 ZINC001579880287 1277947247 /nfs/dbraw/zinc/94/72/47/1277947247.db2.gz BPMVLPVLSDUJRH-UONOGXRCSA-N 2 2 353.492 0.943 20 0 FCADLP Cc1cc(N(C)CCNC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580949125 1279155319 /nfs/dbraw/zinc/15/53/19/1279155319.db2.gz OYTSQUNCAJQQJW-UHFFFAOYSA-N 2 2 355.406 0.409 20 0 FCADLP Cc1cc(N2CC[NH+](CCN(C)C(=O)C(C)C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970622 1279171689 /nfs/dbraw/zinc/17/16/89/1279171689.db2.gz UKJDULPWCWZDOS-UHFFFAOYSA-N 2 2 372.477 0.807 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580987766 1279185342 /nfs/dbraw/zinc/18/53/42/1279185342.db2.gz DOCHFIFPSREPRV-NWDGAFQWSA-N 2 2 369.433 0.502 20 0 FCADLP Cc1cc(N[C@H](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988742 1279188278 /nfs/dbraw/zinc/18/82/78/1279188278.db2.gz UHGZEKBVZYGZQW-OLZOCXBDSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1cc(N[C@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580991145 1279193071 /nfs/dbraw/zinc/19/30/71/1279193071.db2.gz LGVXBHXFZUVJOY-SNVBAGLBSA-N 2 2 355.406 0.265 20 0 FCADLP Cc1cc(N[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580992782 1279196086 /nfs/dbraw/zinc/19/60/86/1279196086.db2.gz ATXNJFDBEFCCHP-AWEZNQCLSA-N 2 2 369.433 0.511 20 0 FCADLP Cc1cc(N[C@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580993946 1279199896 /nfs/dbraw/zinc/19/98/96/1279199896.db2.gz OTONXAMLGDUPKD-OAHLLOKOSA-N 2 2 369.433 0.441 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581000461 1279216101 /nfs/dbraw/zinc/21/61/01/1279216101.db2.gz ZYICHRKHKCDSRR-UHFFFAOYSA-N 2 2 367.417 0.258 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007916 1279230714 /nfs/dbraw/zinc/23/07/14/1279230714.db2.gz DEAAYCPZMZNZFS-IINYFYTJSA-N 2 2 367.417 0.217 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581338327 1279717060 /nfs/dbraw/zinc/71/70/60/1279717060.db2.gz HYYWLZFFJXBSIU-NSHDSACASA-N 2 2 372.408 0.805 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581339004 1279720157 /nfs/dbraw/zinc/72/01/57/1279720157.db2.gz YXTKJDMMLFSDJD-UHFFFAOYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339372 1279720581 /nfs/dbraw/zinc/72/05/81/1279720581.db2.gz DSYSSTBYVDYNDD-NEPJUHHUSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581339399 1279720639 /nfs/dbraw/zinc/72/06/39/1279720639.db2.gz GBFXSEILBDLUPE-QGZVFWFLSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581341054 1279724116 /nfs/dbraw/zinc/72/41/16/1279724116.db2.gz ZIFWSJFDEFJIHD-HNNXBMFYSA-N 2 2 367.417 0.195 20 0 FCADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603457267 1287377283 /nfs/dbraw/zinc/37/72/83/1287377283.db2.gz HWQJIMWOXMRTTE-OLZOCXBDSA-N 2 2 369.433 0.666 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001581444416 1279972845 /nfs/dbraw/zinc/97/28/45/1279972845.db2.gz GTRFFJYPLVAHHX-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001581444416 1279972848 /nfs/dbraw/zinc/97/28/48/1279972848.db2.gz GTRFFJYPLVAHHX-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001581562554 1280137005 /nfs/dbraw/zinc/13/70/05/1280137005.db2.gz YLLZXQYUSGAHMN-YPMHNXCESA-N 2 2 367.417 0.290 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563002 1280140211 /nfs/dbraw/zinc/14/02/11/1280140211.db2.gz FHOUCCNJRIUIST-QWRGUYRKSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001718163687 1287465705 /nfs/dbraw/zinc/46/57/05/1287465705.db2.gz WEDRDOYWKIHSLO-NWANDNLSSA-N 2 2 358.446 0.692 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001582097878 1281053464 /nfs/dbraw/zinc/05/34/64/1281053464.db2.gz RDBVYDZALGHLAB-HOTGVXAUSA-N 2 2 367.457 0.748 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001582097878 1281053471 /nfs/dbraw/zinc/05/34/71/1281053471.db2.gz RDBVYDZALGHLAB-HOTGVXAUSA-N 2 2 367.457 0.748 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582100802 1281058588 /nfs/dbraw/zinc/05/85/88/1281058588.db2.gz OWVQJONXNHSULG-INIZCTEOSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582100802 1281058591 /nfs/dbraw/zinc/05/85/91/1281058591.db2.gz OWVQJONXNHSULG-INIZCTEOSA-N 2 2 355.446 0.653 20 0 FCADLP CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](CC)CC ZINC001582111723 1281063702 /nfs/dbraw/zinc/06/37/02/1281063702.db2.gz SRBGFRNDVGSMRW-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582169872 1281136725 /nfs/dbraw/zinc/13/67/25/1281136725.db2.gz HMFUOMXWACSWGH-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582171559 1281139035 /nfs/dbraw/zinc/13/90/35/1281139035.db2.gz QKMCYYLOSKMHMM-HDJSIYSDSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582171472 1281139256 /nfs/dbraw/zinc/13/92/56/1281139256.db2.gz MRXVWPXXOCNTPP-OTVXOJSOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582171478 1281139937 /nfs/dbraw/zinc/13/99/37/1281139937.db2.gz NDEABINYHINDDK-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582171478 1281139939 /nfs/dbraw/zinc/13/99/39/1281139939.db2.gz NDEABINYHINDDK-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582183037 1281160386 /nfs/dbraw/zinc/16/03/86/1281160386.db2.gz SXQXZUNJHYZTPQ-CQSZACIVSA-N 2 2 352.402 0.523 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582183282 1281161202 /nfs/dbraw/zinc/16/12/02/1281161202.db2.gz ZXCZIXWBPZKMOG-OAHLLOKOSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183696 1281162300 /nfs/dbraw/zinc/16/23/00/1281162300.db2.gz CMLCUONIBYQAEX-MQMHXKEQSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582183849 1281164467 /nfs/dbraw/zinc/16/44/67/1281164467.db2.gz LGKGZJZXNPWKFS-HAQNSBGRSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196645 1281178146 /nfs/dbraw/zinc/17/81/46/1281178146.db2.gz QIZFHYKIVDSUSP-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582196645 1281178147 /nfs/dbraw/zinc/17/81/47/1281178147.db2.gz QIZFHYKIVDSUSP-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001582196706 1281179234 /nfs/dbraw/zinc/17/92/34/1281179234.db2.gz RTGVVELDEOIXAS-UHFFFAOYSA-N 2 2 367.417 0.421 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197255 1281180865 /nfs/dbraw/zinc/18/08/65/1281180865.db2.gz JOQQALYXMAXSSG-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197255 1281180867 /nfs/dbraw/zinc/18/08/67/1281180867.db2.gz JOQQALYXMAXSSG-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001718283760 1287490881 /nfs/dbraw/zinc/49/08/81/1287490881.db2.gz FWWGUTWPJGYCFQ-IIAWOOMASA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001718283760 1287490882 /nfs/dbraw/zinc/49/08/82/1287490882.db2.gz FWWGUTWPJGYCFQ-IIAWOOMASA-N 2 2 361.490 0.656 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001603905162 1287528660 /nfs/dbraw/zinc/52/86/60/1287528660.db2.gz CEHNUCUXRYMMSL-ZDUSSCGKSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001603905162 1287528665 /nfs/dbraw/zinc/52/86/65/1287528665.db2.gz CEHNUCUXRYMMSL-ZDUSSCGKSA-N 2 2 370.461 0.689 20 0 FCADLP CN(C(=O)c1cn(-c2cccnc2)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001585744751 1282242678 /nfs/dbraw/zinc/24/26/78/1282242678.db2.gz NCHCBWJXMFPFMH-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1cn(-c2cccnc2)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001585744751 1282242689 /nfs/dbraw/zinc/24/26/89/1282242689.db2.gz NCHCBWJXMFPFMH-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001638381334 1282690674 /nfs/dbraw/zinc/69/06/74/1282690674.db2.gz HBGMFOJCKUSFRE-MRXNPFEDSA-N 2 2 355.446 0.344 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC001590733752 1283770332 /nfs/dbraw/zinc/77/03/32/1283770332.db2.gz UWZUTJWVCAQIQW-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC001590733752 1283770341 /nfs/dbraw/zinc/77/03/41/1283770341.db2.gz UWZUTJWVCAQIQW-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001590985078 1284041893 /nfs/dbraw/zinc/04/18/93/1284041893.db2.gz MDOSLGMELOANLZ-UHFFFAOYSA-N 2 2 366.429 0.912 20 0 FCADLP C[N@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C1(C[NH3+])CCOCC1 ZINC001591049071 1284107641 /nfs/dbraw/zinc/10/76/41/1284107641.db2.gz WCIVXOHCRLOWME-ZDUSSCGKSA-N 2 2 362.434 0.046 20 0 FCADLP C[N@@H+](C[C@H](O)COc1ccccc1-c1nn[nH]n1)C1(C[NH3+])CCOCC1 ZINC001591049071 1284107665 /nfs/dbraw/zinc/10/76/65/1284107665.db2.gz WCIVXOHCRLOWME-ZDUSSCGKSA-N 2 2 362.434 0.046 20 0 FCADLP CN(CCCNC(=O)C1([NH+](C)C)CCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591070394 1284131152 /nfs/dbraw/zinc/13/11/52/1284131152.db2.gz XADDZTWNSAJOBL-UHFFFAOYSA-N 2 2 358.450 0.689 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001591102224 1284171336 /nfs/dbraw/zinc/17/13/36/1284171336.db2.gz YVHHJVKYTHTAHO-UHFFFAOYSA-N 2 2 358.381 0.520 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591188063 1284302109 /nfs/dbraw/zinc/30/21/09/1284302109.db2.gz ZHKYEWIKMIDRHC-XJKSGUPXSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591188063 1284302115 /nfs/dbraw/zinc/30/21/15/1284302115.db2.gz ZHKYEWIKMIDRHC-XJKSGUPXSA-N 2 2 370.461 0.689 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)Cn2cc[nH+]c2C(C)C)c1-c1nn[nH]n1 ZINC001591216741 1284351440 /nfs/dbraw/zinc/35/14/40/1284351440.db2.gz DSYPLLOUIIZFNR-UHFFFAOYSA-N 2 2 372.437 0.700 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1-c1nn[nH]n1 ZINC001591216633 1284352092 /nfs/dbraw/zinc/35/20/92/1284352092.db2.gz BGXBPDOGTBEWNO-NXEZZACHSA-N 2 2 370.421 0.218 20 0 FCADLP COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC001591240569 1284386577 /nfs/dbraw/zinc/38/65/77/1284386577.db2.gz MQCFMOHTFCWBLD-MRXNPFEDSA-N 2 2 374.445 0.911 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)CCC1 ZINC001604674153 1287724951 /nfs/dbraw/zinc/72/49/51/1287724951.db2.gz ZADPVTYVTKVNRX-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC001591723145 1284857322 /nfs/dbraw/zinc/85/73/22/1284857322.db2.gz OHGDLUWTCLTLHT-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC001591723145 1284857333 /nfs/dbraw/zinc/85/73/33/1284857333.db2.gz OHGDLUWTCLTLHT-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001591790839 1284905977 /nfs/dbraw/zinc/90/59/77/1284905977.db2.gz OMNGBBOOVQPRLD-UHFFFAOYSA-N 2 2 372.408 0.828 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)n1cc[nH+]c1 ZINC001719107618 1287753555 /nfs/dbraw/zinc/75/35/55/1287753555.db2.gz WAXXMGPUXUIAPG-FVQBIDKESA-N 2 2 363.462 0.006 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)n1cc[nH+]c1 ZINC001719107618 1287753565 /nfs/dbraw/zinc/75/35/65/1287753565.db2.gz WAXXMGPUXUIAPG-FVQBIDKESA-N 2 2 363.462 0.006 20 0 FCADLP Cc1cc(N(C)CCCNC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996375 1285050293 /nfs/dbraw/zinc/05/02/93/1285050293.db2.gz JJTSPIORWRYXIC-UHFFFAOYSA-N 2 2 355.406 0.409 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cnccc2-c2nn[nH]n2)CC1 ZINC001592418668 1285344941 /nfs/dbraw/zinc/34/49/41/1285344941.db2.gz DRAGUPVWQPYNCF-UHFFFAOYSA-N 2 2 353.434 0.979 20 0 FCADLP Cc1nn(C)c(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1-c1nn[nH]n1 ZINC001592432469 1285365181 /nfs/dbraw/zinc/36/51/81/1285365181.db2.gz OIZSYPHCUWTLMZ-AWEZNQCLSA-N 2 2 359.482 0.515 20 0 FCADLP Cc1nn(C)c(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1-c1nn[nH]n1 ZINC001592432469 1285365191 /nfs/dbraw/zinc/36/51/91/1285365191.db2.gz OIZSYPHCUWTLMZ-AWEZNQCLSA-N 2 2 359.482 0.515 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001592589763 1285520352 /nfs/dbraw/zinc/52/03/52/1285520352.db2.gz NYNOVAWKJAJRAD-UHFFFAOYSA-N 2 2 358.381 0.188 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592590431 1285522037 /nfs/dbraw/zinc/52/20/37/1285522037.db2.gz DUDWWBOQNKDODO-UHFFFAOYSA-N 2 2 372.408 0.578 20 0 FCADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC001592742689 1285660142 /nfs/dbraw/zinc/66/01/42/1285660142.db2.gz VSNCNPDVGYFHSM-MRXNPFEDSA-N 2 2 370.461 0.431 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001702418882 1285661448 /nfs/dbraw/zinc/66/14/48/1285661448.db2.gz KTTRCIWCXCZBAA-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001702418882 1285661453 /nfs/dbraw/zinc/66/14/53/1285661453.db2.gz KTTRCIWCXCZBAA-NVXWUHKLSA-N 2 2 361.490 0.754 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001592936318 1285821925 /nfs/dbraw/zinc/82/19/25/1285821925.db2.gz VWVSPBZILUFOJM-TXEJJXNPSA-N 2 2 370.392 0.708 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001703442430 1286108859 /nfs/dbraw/zinc/10/88/59/1286108859.db2.gz JJLRJLOWFHLIKF-FVQBIDKESA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001703442430 1286108862 /nfs/dbraw/zinc/10/88/62/1286108862.db2.gz JJLRJLOWFHLIKF-FVQBIDKESA-N 2 2 359.474 0.725 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593506892 1286185625 /nfs/dbraw/zinc/18/56/25/1286185625.db2.gz YIKPTNFPYVVWBY-STQMWFEESA-N 2 2 355.402 0.408 20 0 FCADLP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704664382 1286276851 /nfs/dbraw/zinc/27/68/51/1286276851.db2.gz MTSZLVSRDOADJD-ARFHVFGLSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704781279 1286298293 /nfs/dbraw/zinc/29/82/93/1286298293.db2.gz RUKJBXIKXXQTOS-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704781279 1286298301 /nfs/dbraw/zinc/29/83/01/1286298301.db2.gz RUKJBXIKXXQTOS-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707162335 1286484850 /nfs/dbraw/zinc/48/48/50/1286484850.db2.gz HORZWXLIPDJHFR-DYEKYZERSA-N 2 2 364.450 0.013 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001604860103 1287801512 /nfs/dbraw/zinc/80/15/12/1287801512.db2.gz DZGYQBMWWHKBOP-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001604860103 1287801515 /nfs/dbraw/zinc/80/15/15/1287801515.db2.gz DZGYQBMWWHKBOP-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861637 1287802986 /nfs/dbraw/zinc/80/29/86/1287802986.db2.gz FLIZUIFAHPNMAZ-KRWDZBQOSA-N 2 2 353.434 0.827 20 0 FCADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861637 1287802989 /nfs/dbraw/zinc/80/29/89/1287802989.db2.gz FLIZUIFAHPNMAZ-KRWDZBQOSA-N 2 2 353.434 0.827 20 0 FCADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861637 1287802992 /nfs/dbraw/zinc/80/29/92/1287802992.db2.gz FLIZUIFAHPNMAZ-KRWDZBQOSA-N 2 2 353.434 0.827 20 0 FCADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861637 1287802996 /nfs/dbraw/zinc/80/29/96/1287802996.db2.gz FLIZUIFAHPNMAZ-KRWDZBQOSA-N 2 2 353.434 0.827 20 0 FCADLP Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001605523683 1287988230 /nfs/dbraw/zinc/98/82/30/1287988230.db2.gz TWRPPHZQQUCBRO-UHFFFAOYSA-N 2 2 357.462 0.689 20 0 FCADLP Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001605523683 1287988233 /nfs/dbraw/zinc/98/82/33/1287988233.db2.gz TWRPPHZQQUCBRO-UHFFFAOYSA-N 2 2 357.462 0.689 20 0 FCADLP Cc1cc(N)nc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH+]1 ZINC001605688731 1288051363 /nfs/dbraw/zinc/05/13/63/1288051363.db2.gz DMEPBVRCLBMURY-UHFFFAOYSA-N 2 2 351.418 0.870 20 0 FCADLP CN(CCC[N@H+](C)CC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001724857924 1288452211 /nfs/dbraw/zinc/45/22/11/1288452211.db2.gz UMDCSZCAQJOVEE-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP CN(CCC[N@@H+](C)CC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001724857924 1288452217 /nfs/dbraw/zinc/45/22/17/1288452217.db2.gz UMDCSZCAQJOVEE-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCc2ccccc2F)CC[N@@H+]1C ZINC001731771028 1288563344 /nfs/dbraw/zinc/56/33/44/1288563344.db2.gz GSJSKBGKZFQYFO-GDBMZVCRSA-N 2 2 364.465 0.830 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCc2ccccc2F)CC[N@H+]1C ZINC001731771028 1288563348 /nfs/dbraw/zinc/56/33/48/1288563348.db2.gz GSJSKBGKZFQYFO-GDBMZVCRSA-N 2 2 364.465 0.830 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)NCc2ccccc2F)CC[NH+]1C ZINC001731771028 1288563352 /nfs/dbraw/zinc/56/33/52/1288563352.db2.gz GSJSKBGKZFQYFO-GDBMZVCRSA-N 2 2 364.465 0.830 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCc2ccccc2F)CC[NH+]1C ZINC001731771028 1288563355 /nfs/dbraw/zinc/56/33/55/1288563355.db2.gz GSJSKBGKZFQYFO-GDBMZVCRSA-N 2 2 364.465 0.830 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001691922580 1289344086 /nfs/dbraw/zinc/34/40/86/1289344086.db2.gz YORWSKJYLIWJPT-MELADBBJSA-N 2 2 356.492 0.507 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001692232615 1289433119 /nfs/dbraw/zinc/43/31/19/1289433119.db2.gz OBSCXOQFHXCOQX-KYJSFNMBSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001692232615 1289433123 /nfs/dbraw/zinc/43/31/23/1289433123.db2.gz OBSCXOQFHXCOQX-KYJSFNMBSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C)CS(C)(=O)=O ZINC001692367811 1289454158 /nfs/dbraw/zinc/45/41/58/1289454158.db2.gz BQBBNMJTJGPYBQ-KFWWJZLASA-N 2 2 359.536 0.730 20 0 FCADLP C[C@H](C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C)CS(C)(=O)=O ZINC001692367811 1289454160 /nfs/dbraw/zinc/45/41/60/1289454160.db2.gz BQBBNMJTJGPYBQ-KFWWJZLASA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001692389194 1289457006 /nfs/dbraw/zinc/45/70/06/1289457006.db2.gz VVQUCOGRTWZCEQ-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001692389194 1289457010 /nfs/dbraw/zinc/45/70/10/1289457010.db2.gz VVQUCOGRTWZCEQ-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP COc1nscc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699067509 1289545853 /nfs/dbraw/zinc/54/58/53/1289545853.db2.gz VBXQHNWSCCBCKT-JHJVBQTASA-N 2 2 365.459 0.256 20 0 FCADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001699413085 1289552885 /nfs/dbraw/zinc/55/28/85/1289552885.db2.gz DRUFOESNQKPDLE-XKQJLSEDSA-N 2 2 366.462 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nc(C)no3)CCOCC2)CC[N@@H+]1C ZINC001699880854 1289570045 /nfs/dbraw/zinc/57/00/45/1289570045.db2.gz OZLKMSPGMOJKHW-LSDHHAIUSA-N 2 2 365.478 0.863 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3nc(C)no3)CCOCC2)CC[N@H+]1C ZINC001699880854 1289570050 /nfs/dbraw/zinc/57/00/50/1289570050.db2.gz OZLKMSPGMOJKHW-LSDHHAIUSA-N 2 2 365.478 0.863 20 0 FCADLP Cn1c[nH+]cc1CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC001611360955 1289643887 /nfs/dbraw/zinc/64/38/87/1289643887.db2.gz UDCMHUKWKJJIMB-UHFFFAOYSA-N 2 2 365.459 0.441 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001701618583 1289671542 /nfs/dbraw/zinc/67/15/42/1289671542.db2.gz DWORHVMZGJWIJO-BPLDGKMQSA-N 2 2 358.446 0.692 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001739392489 1289901530 /nfs/dbraw/zinc/90/15/30/1289901530.db2.gz KRDQNNYDWJGWTB-BVIKNXMNSA-N 2 2 373.501 0.925 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001739392489 1289901537 /nfs/dbraw/zinc/90/15/37/1289901537.db2.gz KRDQNNYDWJGWTB-BVIKNXMNSA-N 2 2 373.501 0.925 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(CC(=O)NC)no3)CC2)CC1 ZINC001618638673 1289924339 /nfs/dbraw/zinc/92/43/39/1289924339.db2.gz XKBPINLXIQGBEC-UHFFFAOYSA-N 2 2 364.494 0.350 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(CC(=O)NC)no3)CC2)CC1 ZINC001618638673 1289924352 /nfs/dbraw/zinc/92/43/52/1289924352.db2.gz XKBPINLXIQGBEC-UHFFFAOYSA-N 2 2 364.494 0.350 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)c1ccccc1 ZINC001619792381 1289961327 /nfs/dbraw/zinc/96/13/27/1289961327.db2.gz VSCLMYUDPDXEAF-GVDBMIGSSA-N 2 2 360.458 0.836 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)c1ccccc1 ZINC001619792381 1289961335 /nfs/dbraw/zinc/96/13/35/1289961335.db2.gz VSCLMYUDPDXEAF-GVDBMIGSSA-N 2 2 360.458 0.836 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)c1ccccc1 ZINC001619792380 1289962332 /nfs/dbraw/zinc/96/23/32/1289962332.db2.gz VSCLMYUDPDXEAF-BBWFWOEESA-N 2 2 360.458 0.836 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)c1ccccc1 ZINC001619792380 1289962337 /nfs/dbraw/zinc/96/23/37/1289962337.db2.gz VSCLMYUDPDXEAF-BBWFWOEESA-N 2 2 360.458 0.836 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001619934918 1289968617 /nfs/dbraw/zinc/96/86/17/1289968617.db2.gz QLHWNTYKPUUPMN-UHFFFAOYSA-N 2 2 366.510 0.466 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1O ZINC001739450031 1290017387 /nfs/dbraw/zinc/01/73/87/1290017387.db2.gz SRGZRIRHCXMUTG-FVQBIDKESA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1O ZINC001739450031 1290017397 /nfs/dbraw/zinc/01/73/97/1290017397.db2.gz SRGZRIRHCXMUTG-FVQBIDKESA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001739450031 1290017409 /nfs/dbraw/zinc/01/74/09/1290017409.db2.gz SRGZRIRHCXMUTG-FVQBIDKESA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001739450031 1290017418 /nfs/dbraw/zinc/01/74/18/1290017418.db2.gz SRGZRIRHCXMUTG-FVQBIDKESA-N 2 2 365.478 0.008 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1)n1cc[nH+]c1 ZINC001739655253 1290309977 /nfs/dbraw/zinc/30/99/77/1290309977.db2.gz BSLLXGKMVLUNIP-ZNMIVQPWSA-N 2 2 363.462 0.006 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)Nc1nncs1 ZINC001752902295 1290617135 /nfs/dbraw/zinc/61/71/35/1290617135.db2.gz ZDXSCRVAQMENMM-HBNTYKKESA-N 2 2 363.447 0.108 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001756860126 1290664957 /nfs/dbraw/zinc/66/49/57/1290664957.db2.gz YADCTQULILDEIO-KLHDSHLOSA-N 2 2 361.490 0.971 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001756860126 1290664964 /nfs/dbraw/zinc/66/49/64/1290664964.db2.gz YADCTQULILDEIO-KLHDSHLOSA-N 2 2 361.490 0.971 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001757175549 1290730935 /nfs/dbraw/zinc/73/09/35/1290730935.db2.gz SWCGNIDGYUFCDU-OAGGEKHMSA-N 2 2 365.478 0.254 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001757175549 1290730943 /nfs/dbraw/zinc/73/09/43/1290730943.db2.gz SWCGNIDGYUFCDU-OAGGEKHMSA-N 2 2 365.478 0.254 20 0 FCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001648734902 1291139121 /nfs/dbraw/zinc/13/91/21/1291139121.db2.gz AOTCCURCVUPYLE-LSDHHAIUSA-N 2 2 366.487 0.758 20 0 FCADLP O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001654415601 1291409470 /nfs/dbraw/zinc/40/94/70/1291409470.db2.gz CIEVTMJVYYBYAI-IEBWSBKVSA-N 2 2 374.485 0.858 20 0 FCADLP CCCN1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000014 1292289053 /nfs/dbraw/zinc/28/90/53/1292289053.db2.gz XYQUHIABAHQZJS-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP CCCN1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001679000014 1292289060 /nfs/dbraw/zinc/28/90/60/1292289060.db2.gz XYQUHIABAHQZJS-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001688186685 1293050924 /nfs/dbraw/zinc/05/09/24/1293050924.db2.gz SKSNQKMMGKGXKH-OIISXLGYSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001688186685 1293050932 /nfs/dbraw/zinc/05/09/32/1293050932.db2.gz SKSNQKMMGKGXKH-OIISXLGYSA-N 2 2 369.469 0.919 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(CNC(=O)CC[NH+](C)C)C1CC1 ZINC001688819023 1294537875 /nfs/dbraw/zinc/53/78/75/1294537875.db2.gz KRACKGXDAYQTJO-CLCXKQKWSA-N 2 2 361.490 0.876 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001688986167 1294561328 /nfs/dbraw/zinc/56/13/28/1294561328.db2.gz DFSQYISIKBZTIZ-IMJJTQAJSA-N 2 2 360.458 0.738 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001689222577 1294680174 /nfs/dbraw/zinc/68/01/74/1294680174.db2.gz RAKQTRVYCQFZJZ-PMPSAXMXSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001689222577 1294680186 /nfs/dbraw/zinc/68/01/86/1294680186.db2.gz RAKQTRVYCQFZJZ-PMPSAXMXSA-N 2 2 366.485 0.775 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001689300068 1294726828 /nfs/dbraw/zinc/72/68/28/1294726828.db2.gz ATGIIKRRRQVZCA-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001689300068 1294726834 /nfs/dbraw/zinc/72/68/34/1294726834.db2.gz ATGIIKRRRQVZCA-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC(=O)N(C)CC1CC1 ZINC001689300068 1294726842 /nfs/dbraw/zinc/72/68/42/1294726842.db2.gz ATGIIKRRRQVZCA-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC(=O)N(C)CC1CC1 ZINC001689300068 1294726847 /nfs/dbraw/zinc/72/68/47/1294726847.db2.gz ATGIIKRRRQVZCA-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)NCC3CCC3)[C@@H]2C)C1 ZINC001689318214 1294740745 /nfs/dbraw/zinc/74/07/45/1294740745.db2.gz DPOGXYOGHIAOOJ-INMHGKMJSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)NCC3CCC3)[C@@H]2C)C1 ZINC001689318214 1294740751 /nfs/dbraw/zinc/74/07/51/1294740751.db2.gz DPOGXYOGHIAOOJ-INMHGKMJSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC3CCC3)[C@@H]2C)C1 ZINC001689318214 1294740755 /nfs/dbraw/zinc/74/07/55/1294740755.db2.gz DPOGXYOGHIAOOJ-INMHGKMJSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)[C@@H]2C)C1 ZINC001689318214 1294740762 /nfs/dbraw/zinc/74/07/62/1294740762.db2.gz DPOGXYOGHIAOOJ-INMHGKMJSA-N 2 2 350.507 0.824 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336486 1294758934 /nfs/dbraw/zinc/75/89/34/1294758934.db2.gz QBYQRXSIAJCKQK-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001689336486 1294758941 /nfs/dbraw/zinc/75/89/41/1294758941.db2.gz QBYQRXSIAJCKQK-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336470 1294760083 /nfs/dbraw/zinc/76/00/83/1294760083.db2.gz PPPJHVIPKYUBIM-UXLLHSPISA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCNC(=O)C2CC2)[C@@H]1C ZINC001689336470 1294760090 /nfs/dbraw/zinc/76/00/90/1294760090.db2.gz PPPJHVIPKYUBIM-UXLLHSPISA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001689350314 1294768541 /nfs/dbraw/zinc/76/85/41/1294768541.db2.gz ZTQZSDCAKMOUAN-TZDOMTKQSA-N 2 2 359.474 0.574 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001689350314 1294768552 /nfs/dbraw/zinc/76/85/52/1294768552.db2.gz ZTQZSDCAKMOUAN-TZDOMTKQSA-N 2 2 359.474 0.574 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001690623441 1294877193 /nfs/dbraw/zinc/87/71/93/1294877193.db2.gz NJYQPGUYQOOGJO-APHBMKBZSA-N 2 2 355.442 0.917 20 0 FCADLP O=C1NCCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C12C[NH2+]C2 ZINC001164411752 718878014 /nfs/dbraw/zinc/87/80/14/718878014.db2.gz SARIIQGHZOJUNM-UHFFFAOYSA-N 2 2 364.453 0.313 20 0 FCADLP O=C1NCCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C12C[NH2+]C2 ZINC001164411752 718878015 /nfs/dbraw/zinc/87/80/15/718878015.db2.gz SARIIQGHZOJUNM-UHFFFAOYSA-N 2 2 364.453 0.313 20 0 FCADLP C[NH+]1CCN(c2cccc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)[nH+]2)CC1 ZINC001164423539 718915400 /nfs/dbraw/zinc/91/54/00/718915400.db2.gz INLRTYAKNHDDOT-IBGZPJMESA-N 3 2 361.490 0.419 20 0 FCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164634458 719150869 /nfs/dbraw/zinc/15/08/69/719150869.db2.gz VCNFNHSGBUHSDR-RYUDHWBXSA-N 2 2 353.492 0.097 20 0 FCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164634458 719150876 /nfs/dbraw/zinc/15/08/76/719150876.db2.gz VCNFNHSGBUHSDR-RYUDHWBXSA-N 2 2 353.492 0.097 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@@H]21 ZINC001164669376 719433589 /nfs/dbraw/zinc/43/35/89/719433589.db2.gz LQJDEDXIIXSXTR-GJZGRUSLSA-N 2 2 359.478 0.591 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@@H]21 ZINC001164669376 719433593 /nfs/dbraw/zinc/43/35/93/719433593.db2.gz LQJDEDXIIXSXTR-GJZGRUSLSA-N 2 2 359.478 0.591 20 0 FCADLP Cn1nnc2c1CCN(c1cc(N)[nH+]cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714731 720195470 /nfs/dbraw/zinc/19/54/70/720195470.db2.gz HRDSUGMDENISDY-CQSZACIVSA-N 2 2 358.450 0.404 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC1 ZINC001070012613 837597219 /nfs/dbraw/zinc/59/72/19/837597219.db2.gz FLYXTWTVPFMFNF-RNWDPLESSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC1 ZINC001070012613 837597223 /nfs/dbraw/zinc/59/72/23/837597223.db2.gz FLYXTWTVPFMFNF-RNWDPLESSA-N 2 2 352.870 0.714 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076528 837614349 /nfs/dbraw/zinc/61/43/49/837614349.db2.gz RBRSHGRGSGQUKQ-MDQLWMCGSA-N 2 2 352.870 0.714 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076528 837614352 /nfs/dbraw/zinc/61/43/52/837614352.db2.gz RBRSHGRGSGQUKQ-MDQLWMCGSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076528 837614355 /nfs/dbraw/zinc/61/43/55/837614355.db2.gz RBRSHGRGSGQUKQ-MDQLWMCGSA-N 2 2 352.870 0.714 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)C1 ZINC001070076528 837614357 /nfs/dbraw/zinc/61/43/57/837614357.db2.gz RBRSHGRGSGQUKQ-MDQLWMCGSA-N 2 2 352.870 0.714 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070158290 837628355 /nfs/dbraw/zinc/62/83/55/837628355.db2.gz DVZUBODONQNHOL-MCIONIFRSA-N 2 2 361.475 0.371 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070158290 837628357 /nfs/dbraw/zinc/62/83/57/837628357.db2.gz DVZUBODONQNHOL-MCIONIFRSA-N 2 2 361.475 0.371 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cncs2)C3)O1 ZINC001072849355 837746119 /nfs/dbraw/zinc/74/61/19/837746119.db2.gz BHFDASQGRRKQQU-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2cncs2)C3)O1 ZINC001072849355 837746132 /nfs/dbraw/zinc/74/61/32/837746132.db2.gz BHFDASQGRRKQQU-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2cncs2)C3)O1 ZINC001072849355 837746144 /nfs/dbraw/zinc/74/61/44/837746144.db2.gz BHFDASQGRRKQQU-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2cncs2)C3)O1 ZINC001072849355 837746150 /nfs/dbraw/zinc/74/61/50/837746150.db2.gz BHFDASQGRRKQQU-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001099342407 844035517 /nfs/dbraw/zinc/03/55/17/844035517.db2.gz MSFCGAZNCJPMIO-IJLUTSLNSA-N 2 2 359.352 0.059 20 0 FCADLP COCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686747 844054856 /nfs/dbraw/zinc/05/48/56/844054856.db2.gz PSEJIUODQNBPCE-QDIHITRGSA-N 2 2 350.463 0.671 20 0 FCADLP CCCN1C(=O)C(=O)N(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000747472183 836245425 /nfs/dbraw/zinc/24/54/25/836245425.db2.gz ZXQOUHMUXNHUTP-CQSZACIVSA-N 2 2 354.451 0.577 20 0 FCADLP CCCN1C(=O)C(=O)N(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000747472183 836245440 /nfs/dbraw/zinc/24/54/40/836245440.db2.gz ZXQOUHMUXNHUTP-CQSZACIVSA-N 2 2 354.451 0.577 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101351080 844154697 /nfs/dbraw/zinc/15/46/97/844154697.db2.gz RYHDEDPHVHDFLR-DYVFJYSZSA-N 2 2 350.467 0.368 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101351080 844154704 /nfs/dbraw/zinc/15/47/04/844154704.db2.gz RYHDEDPHVHDFLR-DYVFJYSZSA-N 2 2 350.467 0.368 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388038 844171517 /nfs/dbraw/zinc/17/15/17/844171517.db2.gz KAVSIKBHLHKLPQ-RKVPGOIHSA-N 2 2 350.463 0.378 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388038 844171522 /nfs/dbraw/zinc/17/15/22/844171522.db2.gz KAVSIKBHLHKLPQ-RKVPGOIHSA-N 2 2 350.463 0.378 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388038 844171525 /nfs/dbraw/zinc/17/15/25/844171525.db2.gz KAVSIKBHLHKLPQ-RKVPGOIHSA-N 2 2 350.463 0.378 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101388038 844171529 /nfs/dbraw/zinc/17/15/29/844171529.db2.gz KAVSIKBHLHKLPQ-RKVPGOIHSA-N 2 2 350.463 0.378 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430242 844184199 /nfs/dbraw/zinc/18/41/99/844184199.db2.gz VMEOPFXNQVRSEU-QAPCUYQASA-N 2 2 350.463 0.406 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430242 844184205 /nfs/dbraw/zinc/18/42/05/844184205.db2.gz VMEOPFXNQVRSEU-QAPCUYQASA-N 2 2 350.463 0.406 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)s1 ZINC001101431171 844184564 /nfs/dbraw/zinc/18/45/64/844184564.db2.gz BEPSXNJAEYUIIG-PBHICJAKSA-N 2 2 367.519 0.705 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)s1 ZINC001101431171 844184571 /nfs/dbraw/zinc/18/45/71/844184571.db2.gz BEPSXNJAEYUIIG-PBHICJAKSA-N 2 2 367.519 0.705 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876752 837921269 /nfs/dbraw/zinc/92/12/69/837921269.db2.gz UVTOMNWZCPSOGL-YESZJQIVSA-N 2 2 371.547 0.542 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876752 837921275 /nfs/dbraw/zinc/92/12/75/837921275.db2.gz UVTOMNWZCPSOGL-YESZJQIVSA-N 2 2 371.547 0.542 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876752 837921283 /nfs/dbraw/zinc/92/12/83/837921283.db2.gz UVTOMNWZCPSOGL-YESZJQIVSA-N 2 2 371.547 0.542 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001075876752 837921289 /nfs/dbraw/zinc/92/12/89/837921289.db2.gz UVTOMNWZCPSOGL-YESZJQIVSA-N 2 2 371.547 0.542 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)CC1 ZINC001077015466 838216969 /nfs/dbraw/zinc/21/69/69/838216969.db2.gz YDMYTBFOCHNROU-IEBMYQNNSA-N 2 2 371.909 0.647 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)CC1 ZINC001077015466 838216984 /nfs/dbraw/zinc/21/69/84/838216984.db2.gz YDMYTBFOCHNROU-IEBMYQNNSA-N 2 2 371.909 0.647 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090881 838724428 /nfs/dbraw/zinc/72/44/28/838724428.db2.gz DEESMHNDKIXYAY-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090881 838724439 /nfs/dbraw/zinc/72/44/39/838724439.db2.gz DEESMHNDKIXYAY-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090881 838724450 /nfs/dbraw/zinc/72/44/50/838724450.db2.gz DEESMHNDKIXYAY-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077090881 838724460 /nfs/dbraw/zinc/72/44/60/838724460.db2.gz DEESMHNDKIXYAY-IXDOHACOSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077236695 838839165 /nfs/dbraw/zinc/83/91/65/838839165.db2.gz PXNGXXCWHLFVGS-QLFBSQMISA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077236695 838839175 /nfs/dbraw/zinc/83/91/75/838839175.db2.gz PXNGXXCWHLFVGS-QLFBSQMISA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236695 838839186 /nfs/dbraw/zinc/83/91/86/838839186.db2.gz PXNGXXCWHLFVGS-QLFBSQMISA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236695 838839200 /nfs/dbraw/zinc/83/92/00/838839200.db2.gz PXNGXXCWHLFVGS-QLFBSQMISA-N 2 2 352.504 0.640 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)no1 ZINC001077274791 838866168 /nfs/dbraw/zinc/86/61/68/838866168.db2.gz DKFKKZOOWRSZSA-HZPDHXFCSA-N 2 2 364.471 0.815 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]2O)no1 ZINC001077274791 838866179 /nfs/dbraw/zinc/86/61/79/838866179.db2.gz DKFKKZOOWRSZSA-HZPDHXFCSA-N 2 2 364.471 0.815 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685325 839112826 /nfs/dbraw/zinc/11/28/26/839112826.db2.gz KYWDOGQCJAXESP-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685325 839112831 /nfs/dbraw/zinc/11/28/31/839112831.db2.gz KYWDOGQCJAXESP-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102084848 844408054 /nfs/dbraw/zinc/40/80/54/844408054.db2.gz MKNVUJAWIXXZNX-GDBMZVCRSA-N 2 2 351.447 0.326 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102084848 844408060 /nfs/dbraw/zinc/40/80/60/844408060.db2.gz MKNVUJAWIXXZNX-GDBMZVCRSA-N 2 2 351.447 0.326 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001078006211 839287524 /nfs/dbraw/zinc/28/75/24/839287524.db2.gz WHIXGYHDMIJCQZ-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001078006211 839287535 /nfs/dbraw/zinc/28/75/35/839287535.db2.gz WHIXGYHDMIJCQZ-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001078006211 839287554 /nfs/dbraw/zinc/28/75/54/839287554.db2.gz WHIXGYHDMIJCQZ-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001078006211 839287556 /nfs/dbraw/zinc/28/75/56/839287556.db2.gz WHIXGYHDMIJCQZ-RRFJBIMHSA-N 2 2 350.463 0.549 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1F ZINC001078174163 839378855 /nfs/dbraw/zinc/37/88/55/839378855.db2.gz CVCOVKITKYSUGH-NUEKZKHPSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1F ZINC001078174163 839378870 /nfs/dbraw/zinc/37/88/70/839378870.db2.gz CVCOVKITKYSUGH-NUEKZKHPSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001078174163 839378881 /nfs/dbraw/zinc/37/88/81/839378881.db2.gz CVCOVKITKYSUGH-NUEKZKHPSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001078174163 839378891 /nfs/dbraw/zinc/37/88/91/839378891.db2.gz CVCOVKITKYSUGH-NUEKZKHPSA-N 2 2 351.422 0.447 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102204997 844443393 /nfs/dbraw/zinc/44/33/93/844443393.db2.gz GOJUYFCSHLZLLR-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102204997 844443400 /nfs/dbraw/zinc/44/34/00/844443400.db2.gz GOJUYFCSHLZLLR-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494651 839534769 /nfs/dbraw/zinc/53/47/69/839534769.db2.gz KUGFJBFBRGKICB-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494651 839534777 /nfs/dbraw/zinc/53/47/77/839534777.db2.gz KUGFJBFBRGKICB-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494651 839534781 /nfs/dbraw/zinc/53/47/81/839534781.db2.gz KUGFJBFBRGKICB-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494651 839534791 /nfs/dbraw/zinc/53/47/91/839534791.db2.gz KUGFJBFBRGKICB-DJIMGWMZSA-N 2 2 350.507 0.966 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079495061 839536638 /nfs/dbraw/zinc/53/66/38/839536638.db2.gz XDVCCQBJKCZSSJ-YUELXQCFSA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079495061 839536649 /nfs/dbraw/zinc/53/66/49/839536649.db2.gz XDVCCQBJKCZSSJ-YUELXQCFSA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079495061 839536659 /nfs/dbraw/zinc/53/66/59/839536659.db2.gz XDVCCQBJKCZSSJ-YUELXQCFSA-N 2 2 352.504 0.749 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079495061 839536673 /nfs/dbraw/zinc/53/66/73/839536673.db2.gz XDVCCQBJKCZSSJ-YUELXQCFSA-N 2 2 352.504 0.749 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951473 839630317 /nfs/dbraw/zinc/63/03/17/839630317.db2.gz PGHLVQTWUXVWMZ-RRCSTGOVSA-N 2 2 369.897 0.692 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951473 839630323 /nfs/dbraw/zinc/63/03/23/839630323.db2.gz PGHLVQTWUXVWMZ-RRCSTGOVSA-N 2 2 369.897 0.692 20 0 FCADLP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951473 839630329 /nfs/dbraw/zinc/63/03/29/839630329.db2.gz PGHLVQTWUXVWMZ-RRCSTGOVSA-N 2 2 369.897 0.692 20 0 FCADLP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951473 839630336 /nfs/dbraw/zinc/63/03/36/839630336.db2.gz PGHLVQTWUXVWMZ-RRCSTGOVSA-N 2 2 369.897 0.692 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081434891 839926547 /nfs/dbraw/zinc/92/65/47/839926547.db2.gz DQJOGYWICATOJK-IXDOHACOSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081434891 839926553 /nfs/dbraw/zinc/92/65/53/839926553.db2.gz DQJOGYWICATOJK-IXDOHACOSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081434891 839926557 /nfs/dbraw/zinc/92/65/57/839926557.db2.gz DQJOGYWICATOJK-IXDOHACOSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081434891 839926560 /nfs/dbraw/zinc/92/65/60/839926560.db2.gz DQJOGYWICATOJK-IXDOHACOSA-N 2 2 350.463 0.955 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408093 844488160 /nfs/dbraw/zinc/48/81/60/844488160.db2.gz ZAUVOIGEQFKTAJ-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408093 844488167 /nfs/dbraw/zinc/48/81/67/844488167.db2.gz ZAUVOIGEQFKTAJ-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001081844310 840062016 /nfs/dbraw/zinc/06/20/16/840062016.db2.gz ILUQFCNRQKEIBZ-ARFHVFGLSA-N 2 2 350.463 0.779 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001081844310 840062027 /nfs/dbraw/zinc/06/20/27/840062027.db2.gz ILUQFCNRQKEIBZ-ARFHVFGLSA-N 2 2 350.463 0.779 20 0 FCADLP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949195 840119787 /nfs/dbraw/zinc/11/97/87/840119787.db2.gz CVSTVPHCIYPRGL-MGPQQGTHSA-N 2 2 358.389 0.431 20 0 FCADLP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949195 840119798 /nfs/dbraw/zinc/11/97/98/840119798.db2.gz CVSTVPHCIYPRGL-MGPQQGTHSA-N 2 2 358.389 0.431 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053047 840163151 /nfs/dbraw/zinc/16/31/51/840163151.db2.gz VKDKRSGHJHIBSY-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053047 840163158 /nfs/dbraw/zinc/16/31/58/840163158.db2.gz VKDKRSGHJHIBSY-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053047 840163165 /nfs/dbraw/zinc/16/31/65/840163165.db2.gz VKDKRSGHJHIBSY-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053047 840163170 /nfs/dbraw/zinc/16/31/70/840163170.db2.gz VKDKRSGHJHIBSY-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371034 840358768 /nfs/dbraw/zinc/35/87/68/840358768.db2.gz OYVHKAPVIYYJPD-HUUCEWRRSA-N 2 2 355.870 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371034 840358773 /nfs/dbraw/zinc/35/87/73/840358773.db2.gz OYVHKAPVIYYJPD-HUUCEWRRSA-N 2 2 355.870 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371635 840360617 /nfs/dbraw/zinc/36/06/17/840360617.db2.gz SOFPMGQCMCAPFT-HUUCEWRRSA-N 2 2 366.853 0.557 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371635 840360630 /nfs/dbraw/zinc/36/06/30/840360630.db2.gz SOFPMGQCMCAPFT-HUUCEWRRSA-N 2 2 366.853 0.557 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102496541 844530925 /nfs/dbraw/zinc/53/09/25/844530925.db2.gz ZYMRPKSPEWBSJZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102496541 844530928 /nfs/dbraw/zinc/53/09/28/844530928.db2.gz ZYMRPKSPEWBSJZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102496541 844530931 /nfs/dbraw/zinc/53/09/31/844530931.db2.gz ZYMRPKSPEWBSJZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102496541 844530933 /nfs/dbraw/zinc/53/09/33/844530933.db2.gz ZYMRPKSPEWBSJZ-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395128 840387522 /nfs/dbraw/zinc/38/75/22/840387522.db2.gz WQLIIIZRSSGRLE-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395128 840387536 /nfs/dbraw/zinc/38/75/36/840387536.db2.gz WQLIIIZRSSGRLE-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1 ZINC001082458648 840419848 /nfs/dbraw/zinc/41/98/48/840419848.db2.gz YXQDRLGFBSJSNP-FVQBIDKESA-N 2 2 350.467 0.126 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1 ZINC001082458648 840419857 /nfs/dbraw/zinc/41/98/57/840419857.db2.gz YXQDRLGFBSJSNP-FVQBIDKESA-N 2 2 350.467 0.126 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001082458027 840420102 /nfs/dbraw/zinc/42/01/02/840420102.db2.gz UNXJCYJYHDPXON-JHJVBQTASA-N 2 2 357.405 0.545 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001082458027 840420110 /nfs/dbraw/zinc/42/01/10/840420110.db2.gz UNXJCYJYHDPXON-JHJVBQTASA-N 2 2 357.405 0.545 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082492430 840436006 /nfs/dbraw/zinc/43/60/06/840436006.db2.gz SVOSTIVZZRJXQT-MGPQQGTHSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082549747 840458642 /nfs/dbraw/zinc/45/86/42/840458642.db2.gz YQOPTMDHYKJYIR-IIAWOOMASA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082549747 840458646 /nfs/dbraw/zinc/45/86/46/840458646.db2.gz YQOPTMDHYKJYIR-IIAWOOMASA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082596120 840481857 /nfs/dbraw/zinc/48/18/57/840481857.db2.gz WHNCSKKTEPFKHS-MCIONIFRSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082596120 840481861 /nfs/dbraw/zinc/48/18/61/840481861.db2.gz WHNCSKKTEPFKHS-MCIONIFRSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@H](c1csnn1)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513421 844544976 /nfs/dbraw/zinc/54/49/76/844544976.db2.gz JXKOOPFVGJBKSS-MGPQQGTHSA-N 2 2 355.508 0.861 20 0 FCADLP C[C@H](c1csnn1)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513421 844544977 /nfs/dbraw/zinc/54/49/77/844544977.db2.gz JXKOOPFVGJBKSS-MGPQQGTHSA-N 2 2 355.508 0.861 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082807401 840570382 /nfs/dbraw/zinc/57/03/82/840570382.db2.gz FVJZEZPRURBMPC-VNHYZAJKSA-N 2 2 350.467 0.333 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001082861248 840587162 /nfs/dbraw/zinc/58/71/62/840587162.db2.gz RLIODSOHUKCJHR-IIAWOOMASA-N 2 2 368.503 0.224 20 0 FCADLP CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)s1 ZINC001082863478 840588508 /nfs/dbraw/zinc/58/85/08/840588508.db2.gz DZNCINNFUNYYMK-CHWSQXEVSA-N 2 2 365.503 0.969 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923438 840603666 /nfs/dbraw/zinc/60/36/66/840603666.db2.gz KBMOBVDSNDLNHA-VNHYZAJKSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001082934332 840612768 /nfs/dbraw/zinc/61/27/68/840612768.db2.gz IRMUVJOTIBILPC-YUELXQCFSA-N 2 2 352.435 0.340 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(OC)no3)C2)C1 ZINC001082934332 840612776 /nfs/dbraw/zinc/61/27/76/840612776.db2.gz IRMUVJOTIBILPC-YUELXQCFSA-N 2 2 352.435 0.340 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035650 840668213 /nfs/dbraw/zinc/66/82/13/840668213.db2.gz YKAZRQFNWRLXQS-GVDBMIGSSA-N 2 2 351.491 0.665 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035650 840668216 /nfs/dbraw/zinc/66/82/16/840668216.db2.gz YKAZRQFNWRLXQS-GVDBMIGSSA-N 2 2 351.491 0.665 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035650 840668223 /nfs/dbraw/zinc/66/82/23/840668223.db2.gz YKAZRQFNWRLXQS-GVDBMIGSSA-N 2 2 351.491 0.665 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(C)(C)C4)C[C@@H]32)C1 ZINC001083035650 840668228 /nfs/dbraw/zinc/66/82/28/840668228.db2.gz YKAZRQFNWRLXQS-GVDBMIGSSA-N 2 2 351.491 0.665 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2csnn2)C[C@H]1C ZINC001102580852 844574286 /nfs/dbraw/zinc/57/42/86/844574286.db2.gz OBAYZQPLTLKNGZ-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2csnn2)C[C@H]1C ZINC001102580852 844574293 /nfs/dbraw/zinc/57/42/93/844574293.db2.gz OBAYZQPLTLKNGZ-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1C ZINC001102580769 844574316 /nfs/dbraw/zinc/57/43/16/844574316.db2.gz KZRLMLMOJDUZJW-RBSFLKMASA-N 2 2 351.451 0.222 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1C ZINC001102580769 844574320 /nfs/dbraw/zinc/57/43/20/844574320.db2.gz KZRLMLMOJDUZJW-RBSFLKMASA-N 2 2 351.451 0.222 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]21)[NH+](C)C ZINC001083195612 840789660 /nfs/dbraw/zinc/78/96/60/840789660.db2.gz FEOFYIFSLCBXNF-HRCADAONSA-N 2 2 369.897 0.788 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]21)[NH+](C)C ZINC001083195612 840789670 /nfs/dbraw/zinc/78/96/70/840789670.db2.gz FEOFYIFSLCBXNF-HRCADAONSA-N 2 2 369.897 0.788 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1)OC ZINC001083262142 840843904 /nfs/dbraw/zinc/84/39/04/840843904.db2.gz FCOHIHNSPWTURK-IXDOHACOSA-N 2 2 350.463 0.689 20 0 FCADLP CC[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1)OC ZINC001083262142 840843919 /nfs/dbraw/zinc/84/39/19/840843919.db2.gz FCOHIHNSPWTURK-IXDOHACOSA-N 2 2 350.463 0.689 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275455 840856935 /nfs/dbraw/zinc/85/69/35/840856935.db2.gz DXULRWUBYADCCE-LSDHHAIUSA-N 2 2 350.488 0.959 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275455 840856946 /nfs/dbraw/zinc/85/69/46/840856946.db2.gz DXULRWUBYADCCE-LSDHHAIUSA-N 2 2 350.488 0.959 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)s3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474461 841049173 /nfs/dbraw/zinc/04/91/73/841049173.db2.gz IHCFEGJKEYTYBC-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)s3)C[C@@H]2O)CC[N@H+]1C ZINC001083474461 841049180 /nfs/dbraw/zinc/04/91/80/841049180.db2.gz IHCFEGJKEYTYBC-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2O)CC[NH+]1C ZINC001083474461 841049187 /nfs/dbraw/zinc/04/91/87/841049187.db2.gz IHCFEGJKEYTYBC-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2O)CC[NH+]1C ZINC001083474461 841049195 /nfs/dbraw/zinc/04/91/95/841049195.db2.gz IHCFEGJKEYTYBC-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001083505502 841094070 /nfs/dbraw/zinc/09/40/70/841094070.db2.gz QMQBHLSOVOQUCQ-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001083505502 841094083 /nfs/dbraw/zinc/09/40/83/841094083.db2.gz QMQBHLSOVOQUCQ-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1O ZINC001083505502 841094097 /nfs/dbraw/zinc/09/40/97/841094097.db2.gz QMQBHLSOVOQUCQ-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1O ZINC001083505502 841094109 /nfs/dbraw/zinc/09/41/09/841094109.db2.gz QMQBHLSOVOQUCQ-KFWWJZLASA-N 2 2 352.504 0.987 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083581851 841196787 /nfs/dbraw/zinc/19/67/87/841196787.db2.gz MNMVVRWXGLDDPI-MJBXVCDLSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083581851 841196792 /nfs/dbraw/zinc/19/67/92/841196792.db2.gz MNMVVRWXGLDDPI-MJBXVCDLSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083583655 841199380 /nfs/dbraw/zinc/19/93/80/841199380.db2.gz MWQBQAVDYDRNKV-IMJJTQAJSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001083583655 841199383 /nfs/dbraw/zinc/19/93/83/841199383.db2.gz MWQBQAVDYDRNKV-IMJJTQAJSA-N 2 2 360.483 0.911 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2O)no1 ZINC001083590740 841207510 /nfs/dbraw/zinc/20/75/10/841207510.db2.gz SPFPEECTNWDPIG-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)no1 ZINC001083590740 841207520 /nfs/dbraw/zinc/20/75/20/841207520.db2.gz SPFPEECTNWDPIG-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083645085 841273479 /nfs/dbraw/zinc/27/34/79/841273479.db2.gz KJBBBVGVRKTRLS-UPJWGTAASA-N 2 2 361.273 0.937 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001083645085 841273487 /nfs/dbraw/zinc/27/34/87/841273487.db2.gz KJBBBVGVRKTRLS-UPJWGTAASA-N 2 2 361.273 0.937 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778579 841424008 /nfs/dbraw/zinc/42/40/08/841424008.db2.gz QPZVGPSZSIMMFY-YUELXQCFSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778579 841424015 /nfs/dbraw/zinc/42/40/15/841424015.db2.gz QPZVGPSZSIMMFY-YUELXQCFSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778579 841424022 /nfs/dbraw/zinc/42/40/22/841424022.db2.gz QPZVGPSZSIMMFY-YUELXQCFSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778579 841424028 /nfs/dbraw/zinc/42/40/28/841424028.db2.gz QPZVGPSZSIMMFY-YUELXQCFSA-N 2 2 355.870 0.182 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083826153 841466626 /nfs/dbraw/zinc/46/66/26/841466626.db2.gz DBBDNGKMVYRXNE-OAGGEKHMSA-N 2 2 350.463 0.737 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083826153 841466631 /nfs/dbraw/zinc/46/66/31/841466631.db2.gz DBBDNGKMVYRXNE-OAGGEKHMSA-N 2 2 350.463 0.737 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083954348 841601569 /nfs/dbraw/zinc/60/15/69/841601569.db2.gz WHIXGYHDMIJCQZ-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083954348 841601571 /nfs/dbraw/zinc/60/15/71/841601571.db2.gz WHIXGYHDMIJCQZ-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001083954348 841601576 /nfs/dbraw/zinc/60/15/76/841601576.db2.gz WHIXGYHDMIJCQZ-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)o1 ZINC001083954348 841601581 /nfs/dbraw/zinc/60/15/81/841601581.db2.gz WHIXGYHDMIJCQZ-KFWWJZLASA-N 2 2 350.463 0.549 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958786 841603993 /nfs/dbraw/zinc/60/39/93/841603993.db2.gz WIUQRMRGCDVHHN-CABCVRRESA-N 2 2 350.488 0.517 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958786 841604000 /nfs/dbraw/zinc/60/40/00/841604000.db2.gz WIUQRMRGCDVHHN-CABCVRRESA-N 2 2 350.488 0.517 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053553 841666863 /nfs/dbraw/zinc/66/68/63/841666863.db2.gz BOHMTRALBYOSQX-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053553 841666868 /nfs/dbraw/zinc/66/68/68/841666868.db2.gz BOHMTRALBYOSQX-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053553 841666872 /nfs/dbraw/zinc/66/68/72/841666872.db2.gz BOHMTRALBYOSQX-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1Cl ZINC001084053553 841666875 /nfs/dbraw/zinc/66/68/75/841666875.db2.gz BOHMTRALBYOSQX-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053659 841667238 /nfs/dbraw/zinc/66/72/38/841667238.db2.gz GHCJMQBTAOMYAJ-VUCTXSBTSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)c1 ZINC001084053659 841667246 /nfs/dbraw/zinc/66/72/46/841667246.db2.gz GHCJMQBTAOMYAJ-VUCTXSBTSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053659 841667254 /nfs/dbraw/zinc/66/72/54/841667254.db2.gz GHCJMQBTAOMYAJ-VUCTXSBTSA-N 2 2 367.877 0.962 20 0 FCADLP COc1ccc(Cl)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1 ZINC001084053659 841667260 /nfs/dbraw/zinc/66/72/60/841667260.db2.gz GHCJMQBTAOMYAJ-VUCTXSBTSA-N 2 2 367.877 0.962 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@@H]1O ZINC001084057944 841670807 /nfs/dbraw/zinc/67/08/07/841670807.db2.gz BNSMQCCXTVWTSS-CVEARBPZSA-N 2 2 367.877 0.976 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@H]1O ZINC001084057944 841670815 /nfs/dbraw/zinc/67/08/15/841670815.db2.gz BNSMQCCXTVWTSS-CVEARBPZSA-N 2 2 367.877 0.976 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831865 841925778 /nfs/dbraw/zinc/92/57/78/841925778.db2.gz CGUDEOMTFGRUJM-HZPDHXFCSA-N 2 2 364.515 0.847 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831865 841925784 /nfs/dbraw/zinc/92/57/84/841925784.db2.gz CGUDEOMTFGRUJM-HZPDHXFCSA-N 2 2 364.515 0.847 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085105995 842021585 /nfs/dbraw/zinc/02/15/85/842021585.db2.gz ZZKUBUDYCHTDHH-OAGGEKHMSA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)[C@H]2C1 ZINC001085105995 842021598 /nfs/dbraw/zinc/02/15/98/842021598.db2.gz ZZKUBUDYCHTDHH-OAGGEKHMSA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001085375046 842089799 /nfs/dbraw/zinc/08/97/99/842089799.db2.gz XHQIWQJVYVORTO-ZIAGYGMSSA-N 2 2 369.491 0.005 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085429364 842103532 /nfs/dbraw/zinc/10/35/32/842103532.db2.gz PFIZQJVFEOHRTO-RBSFLKMASA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085429364 842103545 /nfs/dbraw/zinc/10/35/45/842103545.db2.gz PFIZQJVFEOHRTO-RBSFLKMASA-N 2 2 350.467 0.053 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085438867 842105785 /nfs/dbraw/zinc/10/57/85/842105785.db2.gz SCTBDFINCTZYFJ-RBSFLKMASA-N 2 2 354.476 0.335 20 0 FCADLP Cc1noc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086398989 842130869 /nfs/dbraw/zinc/13/08/69/842130869.db2.gz JFBILXBZIVUSDX-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1noc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086398989 842130873 /nfs/dbraw/zinc/13/08/73/842130873.db2.gz JFBILXBZIVUSDX-OBRUSBNWSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400741 842131285 /nfs/dbraw/zinc/13/12/85/842131285.db2.gz VHJARWITMCKJLU-OKNSCYNVSA-N 2 2 350.467 0.378 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400741 842131289 /nfs/dbraw/zinc/13/12/89/842131289.db2.gz VHJARWITMCKJLU-OKNSCYNVSA-N 2 2 350.467 0.378 20 0 FCADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665362 842146490 /nfs/dbraw/zinc/14/64/90/842146490.db2.gz CSOUUVWQQZXZSH-WOSRLPQWSA-N 2 2 369.897 0.779 20 0 FCADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665362 842146497 /nfs/dbraw/zinc/14/64/97/842146497.db2.gz CSOUUVWQQZXZSH-WOSRLPQWSA-N 2 2 369.897 0.779 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001087038776 842235790 /nfs/dbraw/zinc/23/57/90/842235790.db2.gz YYKXKIQOSBQRGB-KFWWJZLASA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccs1 ZINC001087038776 842235800 /nfs/dbraw/zinc/23/58/00/842235800.db2.gz YYKXKIQOSBQRGB-KFWWJZLASA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cscn1 ZINC001087038728 842236112 /nfs/dbraw/zinc/23/61/12/842236112.db2.gz WGEOHHLBWSJWAR-BMFZPTHFSA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cscn1 ZINC001087038728 842236121 /nfs/dbraw/zinc/23/61/21/842236121.db2.gz WGEOHHLBWSJWAR-BMFZPTHFSA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnc(C)s1 ZINC001087103403 842290651 /nfs/dbraw/zinc/29/06/51/842290651.db2.gz DJAUVPWTSYNDSB-ZIAGYGMSSA-N 2 2 364.475 0.696 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087103437 842290901 /nfs/dbraw/zinc/29/09/01/842290901.db2.gz GZXFFJITFHKPSH-TZMCWYRMSA-N 2 2 350.448 0.388 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnns2)C1 ZINC001087248175 842325041 /nfs/dbraw/zinc/32/50/41/842325041.db2.gz RWWIPCMLJIFFSK-YCPHGPKFSA-N 2 2 367.519 0.976 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnns2)C1 ZINC001087248175 842325051 /nfs/dbraw/zinc/32/50/51/842325051.db2.gz RWWIPCMLJIFFSK-YCPHGPKFSA-N 2 2 367.519 0.976 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001087522900 842344072 /nfs/dbraw/zinc/34/40/72/842344072.db2.gz BIGQJBPKOSAPJX-GVDBMIGSSA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001087522900 842344088 /nfs/dbraw/zinc/34/40/88/842344088.db2.gz BIGQJBPKOSAPJX-GVDBMIGSSA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087522900 842344100 /nfs/dbraw/zinc/34/41/00/842344100.db2.gz BIGQJBPKOSAPJX-GVDBMIGSSA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087522900 842344111 /nfs/dbraw/zinc/34/41/11/842344111.db2.gz BIGQJBPKOSAPJX-GVDBMIGSSA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CCS(C)(=O)=O ZINC001087578769 842363737 /nfs/dbraw/zinc/36/37/37/842363737.db2.gz NVTPYGJAZGKMAL-CAOSSQGBSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CCS(C)(=O)=O ZINC001087578769 842363747 /nfs/dbraw/zinc/36/37/47/842363747.db2.gz NVTPYGJAZGKMAL-CAOSSQGBSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2CC)CC[NH+]1C ZINC001087578769 842363757 /nfs/dbraw/zinc/36/37/57/842363757.db2.gz NVTPYGJAZGKMAL-CAOSSQGBSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2CC)CC[NH+]1C ZINC001087578769 842363769 /nfs/dbraw/zinc/36/37/69/842363769.db2.gz NVTPYGJAZGKMAL-CAOSSQGBSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001087829782 842442332 /nfs/dbraw/zinc/44/23/32/842442332.db2.gz VRLNHEJVIALVFX-YESZJQIVSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001087829782 842442339 /nfs/dbraw/zinc/44/23/39/842442339.db2.gz VRLNHEJVIALVFX-YESZJQIVSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)n1)C2 ZINC001276084037 861313251 /nfs/dbraw/zinc/31/32/51/861313251.db2.gz RWTHOZRGHWOVCF-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)n1)C2 ZINC001276084037 861313267 /nfs/dbraw/zinc/31/32/67/861313267.db2.gz RWTHOZRGHWOVCF-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982372 842490223 /nfs/dbraw/zinc/49/02/23/842490223.db2.gz CUEQLNLLNLYTKQ-HIFRSBDPSA-N 2 2 364.515 0.950 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982372 842490229 /nfs/dbraw/zinc/49/02/29/842490229.db2.gz CUEQLNLLNLYTKQ-HIFRSBDPSA-N 2 2 364.515 0.950 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088494559 842586999 /nfs/dbraw/zinc/58/69/99/842586999.db2.gz FLWITRQFIYRAIB-KBMXLJTQSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088494559 842587009 /nfs/dbraw/zinc/58/70/09/842587009.db2.gz FLWITRQFIYRAIB-KBMXLJTQSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088494559 842587014 /nfs/dbraw/zinc/58/70/14/842587014.db2.gz FLWITRQFIYRAIB-KBMXLJTQSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001088494559 842587025 /nfs/dbraw/zinc/58/70/25/842587025.db2.gz FLWITRQFIYRAIB-KBMXLJTQSA-N 2 2 357.520 0.484 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C)o1 ZINC001088505955 842590775 /nfs/dbraw/zinc/59/07/75/842590775.db2.gz BJCHEIDNOJCRQF-YCPHGPKFSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C)o1 ZINC001088505955 842590783 /nfs/dbraw/zinc/59/07/83/842590783.db2.gz BJCHEIDNOJCRQF-YCPHGPKFSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)o1 ZINC001088505955 842590791 /nfs/dbraw/zinc/59/07/91/842590791.db2.gz BJCHEIDNOJCRQF-YCPHGPKFSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)o1 ZINC001088505955 842590798 /nfs/dbraw/zinc/59/07/98/842590798.db2.gz BJCHEIDNOJCRQF-YCPHGPKFSA-N 2 2 350.463 0.955 20 0 FCADLP C[NH+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+](C)C3)C1 ZINC001276214536 861355523 /nfs/dbraw/zinc/35/55/23/861355523.db2.gz XHPOOWWEMYBPEU-QLFBSQMISA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+](C)C3)C1 ZINC001276214536 861355539 /nfs/dbraw/zinc/35/55/39/861355539.db2.gz XHPOOWWEMYBPEU-QLFBSQMISA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214536 861355552 /nfs/dbraw/zinc/35/55/52/861355552.db2.gz XHPOOWWEMYBPEU-QLFBSQMISA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214536 861355568 /nfs/dbraw/zinc/35/55/68/861355568.db2.gz XHPOOWWEMYBPEU-QLFBSQMISA-N 2 2 352.479 0.700 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C ZINC001276214313 861356729 /nfs/dbraw/zinc/35/67/29/861356729.db2.gz POEHQWMWRXOSLP-SOUVJXGZSA-N 2 2 352.479 0.843 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C ZINC001276214313 861356744 /nfs/dbraw/zinc/35/67/44/861356744.db2.gz POEHQWMWRXOSLP-SOUVJXGZSA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCN1C(=O)OC(C)(C)C ZINC001276214313 861356762 /nfs/dbraw/zinc/35/67/62/861356762.db2.gz POEHQWMWRXOSLP-SOUVJXGZSA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCN1C(=O)OC(C)(C)C ZINC001276214313 861356776 /nfs/dbraw/zinc/35/67/76/861356776.db2.gz POEHQWMWRXOSLP-SOUVJXGZSA-N 2 2 352.479 0.843 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195415 843403670 /nfs/dbraw/zinc/40/36/70/843403670.db2.gz QQSMTAWZYMFQSF-JHJVBQTASA-N 2 2 366.491 0.112 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195415 843403672 /nfs/dbraw/zinc/40/36/72/843403672.db2.gz QQSMTAWZYMFQSF-JHJVBQTASA-N 2 2 366.491 0.112 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195415 843403681 /nfs/dbraw/zinc/40/36/81/843403681.db2.gz QQSMTAWZYMFQSF-JHJVBQTASA-N 2 2 366.491 0.112 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195415 843403688 /nfs/dbraw/zinc/40/36/88/843403688.db2.gz QQSMTAWZYMFQSF-JHJVBQTASA-N 2 2 366.491 0.112 20 0 FCADLP CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299717 843544946 /nfs/dbraw/zinc/54/49/46/843544946.db2.gz MCCKGCCGYGKMJF-CZUORRHYSA-N 2 2 350.467 0.270 20 0 FCADLP CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299717 843544949 /nfs/dbraw/zinc/54/49/49/843544949.db2.gz MCCKGCCGYGKMJF-CZUORRHYSA-N 2 2 350.467 0.270 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022349 843772204 /nfs/dbraw/zinc/77/22/04/843772204.db2.gz MJMZVJQTZYJSCH-WCVJEAGWSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022349 843772211 /nfs/dbraw/zinc/77/22/11/843772211.db2.gz MJMZVJQTZYJSCH-WCVJEAGWSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001096022349 843772216 /nfs/dbraw/zinc/77/22/16/843772216.db2.gz MJMZVJQTZYJSCH-WCVJEAGWSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001096022349 843772222 /nfs/dbraw/zinc/77/22/22/843772222.db2.gz MJMZVJQTZYJSCH-WCVJEAGWSA-N 2 2 350.507 0.917 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001098400657 843914490 /nfs/dbraw/zinc/91/44/90/843914490.db2.gz HRGHYVQJABTEES-VQHPVUNQSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001098400657 843914493 /nfs/dbraw/zinc/91/44/93/843914493.db2.gz HRGHYVQJABTEES-VQHPVUNQSA-N 2 2 369.531 0.629 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC2CCOCC2)C3)C1 ZINC001098773418 843934945 /nfs/dbraw/zinc/93/49/45/843934945.db2.gz HMMBYUCZEPXKCP-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC2CCOCC2)C3)C1 ZINC001098773418 843934953 /nfs/dbraw/zinc/93/49/53/843934953.db2.gz HMMBYUCZEPXKCP-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CCOCC2)C3)C1 ZINC001098773418 843934961 /nfs/dbraw/zinc/93/49/61/843934961.db2.gz HMMBYUCZEPXKCP-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCOCC2)C3)C1 ZINC001098773418 843934969 /nfs/dbraw/zinc/93/49/69/843934969.db2.gz HMMBYUCZEPXKCP-LNLFQRSKSA-N 2 2 351.491 0.714 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncs2)C3)C1 ZINC001098773208 843935189 /nfs/dbraw/zinc/93/51/89/843935189.db2.gz AJYBLECOUYJJIL-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncs2)C3)C1 ZINC001098773208 843935193 /nfs/dbraw/zinc/93/51/93/843935193.db2.gz AJYBLECOUYJJIL-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cncs2)C3)C1 ZINC001098773208 843935195 /nfs/dbraw/zinc/93/51/95/843935195.db2.gz AJYBLECOUYJJIL-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cncs2)C3)C1 ZINC001098773208 843935197 /nfs/dbraw/zinc/93/51/97/843935197.db2.gz AJYBLECOUYJJIL-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001099183693 843968764 /nfs/dbraw/zinc/96/87/64/843968764.db2.gz PHOJGADSHAXVBK-ZOBUZTSGSA-N 2 2 366.487 0.289 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001099183693 843968771 /nfs/dbraw/zinc/96/87/71/843968771.db2.gz PHOJGADSHAXVBK-ZOBUZTSGSA-N 2 2 366.487 0.289 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C(F)(F)F)n1 ZINC001099223500 843979274 /nfs/dbraw/zinc/97/92/74/843979274.db2.gz RKGSMMVDPAXPAS-MGPQQGTHSA-N 2 2 359.396 0.993 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C(F)(F)F)n1 ZINC001099223500 843979277 /nfs/dbraw/zinc/97/92/77/843979277.db2.gz RKGSMMVDPAXPAS-MGPQQGTHSA-N 2 2 359.396 0.993 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)no1 ZINC001102819603 844653372 /nfs/dbraw/zinc/65/33/72/844653372.db2.gz WXZKODIQHNKWGA-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)no1 ZINC001102819603 844653375 /nfs/dbraw/zinc/65/33/75/844653375.db2.gz WXZKODIQHNKWGA-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)no1 ZINC001102819603 844653379 /nfs/dbraw/zinc/65/33/79/844653379.db2.gz WXZKODIQHNKWGA-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)no1 ZINC001102819603 844653383 /nfs/dbraw/zinc/65/33/83/844653383.db2.gz WXZKODIQHNKWGA-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138550 844707523 /nfs/dbraw/zinc/70/75/23/844707523.db2.gz RAKXZBBLDVJKGR-IXYNUQLISA-N 2 2 351.451 0.363 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103138550 844707532 /nfs/dbraw/zinc/70/75/32/844707532.db2.gz RAKXZBBLDVJKGR-IXYNUQLISA-N 2 2 351.451 0.363 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnon2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103138550 844707540 /nfs/dbraw/zinc/70/75/40/844707540.db2.gz RAKXZBBLDVJKGR-IXYNUQLISA-N 2 2 351.451 0.363 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnon2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103138550 844707545 /nfs/dbraw/zinc/70/75/45/844707545.db2.gz RAKXZBBLDVJKGR-IXYNUQLISA-N 2 2 351.451 0.363 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473899 844763805 /nfs/dbraw/zinc/76/38/05/844763805.db2.gz YUUJIVOFWJGMJC-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103473899 844763810 /nfs/dbraw/zinc/76/38/10/844763810.db2.gz YUUJIVOFWJGMJC-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610410 861497483 /nfs/dbraw/zinc/49/74/83/861497483.db2.gz QKEPRBBSPLGFAT-KSSFIOAISA-N 2 2 353.463 0.731 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610410 861497486 /nfs/dbraw/zinc/49/74/86/861497486.db2.gz QKEPRBBSPLGFAT-KSSFIOAISA-N 2 2 353.463 0.731 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610273 861497780 /nfs/dbraw/zinc/49/77/80/861497780.db2.gz OJRKMCGCDDOCTM-SFHVURJKSA-N 2 2 353.463 0.731 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610273 861497784 /nfs/dbraw/zinc/49/77/84/861497784.db2.gz OJRKMCGCDDOCTM-SFHVURJKSA-N 2 2 353.463 0.731 20 0 FCADLP COC[C@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+](C)C ZINC001276610816 861499222 /nfs/dbraw/zinc/49/92/22/861499222.db2.gz RQXMZJRUJINTKV-CRAIPNDOSA-N 2 2 355.479 0.583 20 0 FCADLP COC[C@H](C(=O)OC)N1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+](C)C ZINC001276610816 861499232 /nfs/dbraw/zinc/49/92/32/861499232.db2.gz RQXMZJRUJINTKV-CRAIPNDOSA-N 2 2 355.479 0.583 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742701 844814091 /nfs/dbraw/zinc/81/40/91/844814091.db2.gz SKFCSOWSHNWMGX-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742701 844814095 /nfs/dbraw/zinc/81/40/95/844814095.db2.gz SKFCSOWSHNWMGX-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742701 844814104 /nfs/dbraw/zinc/81/41/04/844814104.db2.gz SKFCSOWSHNWMGX-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742701 844814113 /nfs/dbraw/zinc/81/41/13/844814113.db2.gz SKFCSOWSHNWMGX-FMKPAKJESA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnon1 ZINC001104346661 844896056 /nfs/dbraw/zinc/89/60/56/844896056.db2.gz GTQCISRBPRIYAS-IXYNUQLISA-N 2 2 351.451 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1cnon1 ZINC001104346661 844896059 /nfs/dbraw/zinc/89/60/59/844896059.db2.gz GTQCISRBPRIYAS-IXYNUQLISA-N 2 2 351.451 0.363 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1)[NH+](C)C ZINC001104639458 844927699 /nfs/dbraw/zinc/92/76/99/844927699.db2.gz PRIHXTSQOMRFKD-IIAWOOMASA-N 2 2 351.499 0.371 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCN1CCCCC1)C2 ZINC001276640205 861513678 /nfs/dbraw/zinc/51/36/78/861513678.db2.gz XXRXOJLMTNXLLQ-IBGZPJMESA-N 2 2 352.523 0.585 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCN1CCCCC1)C2 ZINC001276640205 861513688 /nfs/dbraw/zinc/51/36/88/861513688.db2.gz XXRXOJLMTNXLLQ-IBGZPJMESA-N 2 2 352.523 0.585 20 0 FCADLP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097166 844980044 /nfs/dbraw/zinc/98/00/44/844980044.db2.gz MRJNUWIFXUGCLN-ZACQAIPSSA-N 2 2 352.479 0.745 20 0 FCADLP Cc1nc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001106172059 845122945 /nfs/dbraw/zinc/12/29/45/845122945.db2.gz QRJACCUJIONUKB-WKPIXPDZSA-N 2 2 351.451 0.010 20 0 FCADLP Cc1nc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001106172059 845122952 /nfs/dbraw/zinc/12/29/52/845122952.db2.gz QRJACCUJIONUKB-WKPIXPDZSA-N 2 2 351.451 0.010 20 0 FCADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001106172058 845123180 /nfs/dbraw/zinc/12/31/80/845123180.db2.gz QRJACCUJIONUKB-VCTAVGKDSA-N 2 2 351.451 0.010 20 0 FCADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001106172058 845123195 /nfs/dbraw/zinc/12/31/95/845123195.db2.gz QRJACCUJIONUKB-VCTAVGKDSA-N 2 2 351.451 0.010 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1 ZINC001106309189 845152274 /nfs/dbraw/zinc/15/22/74/845152274.db2.gz OXZWIQIXAWIAOU-UKRRQHHQSA-N 2 2 369.487 0.361 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCOC[C@@H]1CCCO1 ZINC001106704941 845228983 /nfs/dbraw/zinc/22/89/83/845228983.db2.gz KBMRVMJMAGIXEM-INMHGKMJSA-N 2 2 350.463 0.832 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705979 861549468 /nfs/dbraw/zinc/54/94/68/861549468.db2.gz WMMSXNLSMNIGKQ-PBHICJAKSA-N 2 2 350.419 0.138 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705979 861549474 /nfs/dbraw/zinc/54/94/74/861549474.db2.gz WMMSXNLSMNIGKQ-PBHICJAKSA-N 2 2 350.419 0.138 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107025472 845311729 /nfs/dbraw/zinc/31/17/29/845311729.db2.gz UGICGAWUHQAPDC-UKRRQHHQSA-N 2 2 364.515 0.536 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107025472 845311737 /nfs/dbraw/zinc/31/17/37/845311737.db2.gz UGICGAWUHQAPDC-UKRRQHHQSA-N 2 2 364.515 0.536 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491866 845384162 /nfs/dbraw/zinc/38/41/62/845384162.db2.gz OBJTZBVRDAJBNL-JFIYKMOQSA-N 2 2 350.463 0.641 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491866 845384171 /nfs/dbraw/zinc/38/41/71/845384171.db2.gz OBJTZBVRDAJBNL-JFIYKMOQSA-N 2 2 350.463 0.641 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001109403759 845645692 /nfs/dbraw/zinc/64/56/92/845645692.db2.gz XFSVUNCBVBRVNX-WCVJEAGWSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001109403759 845645695 /nfs/dbraw/zinc/64/56/95/845645695.db2.gz XFSVUNCBVBRVNX-WCVJEAGWSA-N 2 2 369.531 0.627 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O)[NH+](C)C ZINC001109446693 845656878 /nfs/dbraw/zinc/65/68/78/845656878.db2.gz VDRBMRZMBPHWDX-QXSJWSMHSA-N 2 2 372.535 0.084 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O)[NH+](C)C ZINC001109446693 845656885 /nfs/dbraw/zinc/65/68/85/845656885.db2.gz VDRBMRZMBPHWDX-QXSJWSMHSA-N 2 2 372.535 0.084 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001109526929 845681271 /nfs/dbraw/zinc/68/12/71/845681271.db2.gz GBNPTMUCKVBZJV-UKMLZYKCSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001109526929 845681279 /nfs/dbraw/zinc/68/12/79/845681279.db2.gz GBNPTMUCKVBZJV-UKMLZYKCSA-N 2 2 368.503 0.594 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109927973 845761227 /nfs/dbraw/zinc/76/12/27/845761227.db2.gz AVNRCZFTCIOKCA-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109927973 845761232 /nfs/dbraw/zinc/76/12/32/845761232.db2.gz AVNRCZFTCIOKCA-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001109927973 845761236 /nfs/dbraw/zinc/76/12/36/845761236.db2.gz AVNRCZFTCIOKCA-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001109927973 845761241 /nfs/dbraw/zinc/76/12/41/845761241.db2.gz AVNRCZFTCIOKCA-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)CC(F)(F)F ZINC001109975807 845770244 /nfs/dbraw/zinc/77/02/44/845770244.db2.gz FRJFXWTXZXRBEI-SAXRGWBVSA-N 2 2 360.380 0.997 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CC(F)(F)F ZINC001109975807 845770248 /nfs/dbraw/zinc/77/02/48/845770248.db2.gz FRJFXWTXZXRBEI-SAXRGWBVSA-N 2 2 360.380 0.997 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977531 845771150 /nfs/dbraw/zinc/77/11/50/845771150.db2.gz MYUPQRJPZGOCCZ-FZKCQIBNSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977531 845771151 /nfs/dbraw/zinc/77/11/51/845771151.db2.gz MYUPQRJPZGOCCZ-FZKCQIBNSA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110159775 845808658 /nfs/dbraw/zinc/80/86/58/845808658.db2.gz VZTDJPFLARPWKL-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110159775 845808668 /nfs/dbraw/zinc/80/86/68/845808668.db2.gz VZTDJPFLARPWKL-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110159775 845808678 /nfs/dbraw/zinc/80/86/78/845808678.db2.gz VZTDJPFLARPWKL-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001110159775 845808681 /nfs/dbraw/zinc/80/86/81/845808681.db2.gz VZTDJPFLARPWKL-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110615271 845929143 /nfs/dbraw/zinc/92/91/43/845929143.db2.gz LUSJDHXDCUHDOF-FPCVCCKLSA-N 2 2 356.486 0.914 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110615271 845929150 /nfs/dbraw/zinc/92/91/50/845929150.db2.gz LUSJDHXDCUHDOF-FPCVCCKLSA-N 2 2 356.486 0.914 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001110662695 845943064 /nfs/dbraw/zinc/94/30/64/845943064.db2.gz QMRFBZFOIGVKDI-AIANPOQGSA-N 2 2 350.507 0.963 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001110662695 845943071 /nfs/dbraw/zinc/94/30/71/845943071.db2.gz QMRFBZFOIGVKDI-AIANPOQGSA-N 2 2 350.507 0.963 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110694786 845949626 /nfs/dbraw/zinc/94/96/26/845949626.db2.gz LXOUJZCPOYBWFG-WCVJEAGWSA-N 2 2 374.551 0.233 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110694786 845949632 /nfs/dbraw/zinc/94/96/32/845949632.db2.gz LXOUJZCPOYBWFG-WCVJEAGWSA-N 2 2 374.551 0.233 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976195 846007486 /nfs/dbraw/zinc/00/74/86/846007486.db2.gz GJSJMQMHJSABNO-ZACQAIPSSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976195 846007487 /nfs/dbraw/zinc/00/74/87/846007487.db2.gz GJSJMQMHJSABNO-ZACQAIPSSA-N 2 2 350.507 0.822 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O)[NH+](CC)CC ZINC001111018334 846015248 /nfs/dbraw/zinc/01/52/48/846015248.db2.gz REHPNWYDLLTUFI-FPCVCCKLSA-N 2 2 374.551 0.378 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O)[NH+](CC)CC ZINC001111018334 846015255 /nfs/dbraw/zinc/01/52/55/846015255.db2.gz REHPNWYDLLTUFI-FPCVCCKLSA-N 2 2 374.551 0.378 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001111035747 846020382 /nfs/dbraw/zinc/02/03/82/846020382.db2.gz LHLLSOLOSYITCH-WCVJEAGWSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001111035747 846020388 /nfs/dbraw/zinc/02/03/88/846020388.db2.gz LHLLSOLOSYITCH-WCVJEAGWSA-N 2 2 354.495 0.201 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001111274722 846074302 /nfs/dbraw/zinc/07/43/02/846074302.db2.gz JZIJLHVABPJIDU-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)C1 ZINC001111274722 846074307 /nfs/dbraw/zinc/07/43/07/846074307.db2.gz JZIJLHVABPJIDU-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)C1 ZINC001111274722 846074311 /nfs/dbraw/zinc/07/43/11/846074311.db2.gz JZIJLHVABPJIDU-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)C1 ZINC001111274722 846074316 /nfs/dbraw/zinc/07/43/16/846074316.db2.gz JZIJLHVABPJIDU-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)on1 ZINC001111279598 846076552 /nfs/dbraw/zinc/07/65/52/846076552.db2.gz FKWOFFLJIJQGQM-YUELXQCFSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)on1 ZINC001111279598 846076559 /nfs/dbraw/zinc/07/65/59/846076559.db2.gz FKWOFFLJIJQGQM-YUELXQCFSA-N 2 2 352.435 0.483 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)CS(C)(=O)=O ZINC001111282106 846077660 /nfs/dbraw/zinc/07/76/60/846077660.db2.gz BENJFTIKVBLKHA-JJXSEGSLSA-N 2 2 369.531 0.484 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)CS(C)(=O)=O ZINC001111282106 846077667 /nfs/dbraw/zinc/07/76/67/846077667.db2.gz BENJFTIKVBLKHA-JJXSEGSLSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(C)(=O)=O ZINC001111296708 846080446 /nfs/dbraw/zinc/08/04/46/846080446.db2.gz SEEYVBCSWLVKSE-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(C)(=O)=O ZINC001111296708 846080451 /nfs/dbraw/zinc/08/04/51/846080451.db2.gz SEEYVBCSWLVKSE-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111816211 846220524 /nfs/dbraw/zinc/22/05/24/846220524.db2.gz VDZHQWCESWZFOI-YJBOKZPZSA-N 2 2 350.463 0.332 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111816211 846220528 /nfs/dbraw/zinc/22/05/28/846220528.db2.gz VDZHQWCESWZFOI-YJBOKZPZSA-N 2 2 350.463 0.332 20 0 FCADLP C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)n1cc[nH+]c1 ZINC001111885689 846246190 /nfs/dbraw/zinc/24/61/90/846246190.db2.gz ZESJMPIWXAMWBG-BQFCYCMXSA-N 2 2 350.463 0.814 20 0 FCADLP C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)n1cc[nH+]c1 ZINC001111885689 846246202 /nfs/dbraw/zinc/24/62/02/846246202.db2.gz ZESJMPIWXAMWBG-BQFCYCMXSA-N 2 2 350.463 0.814 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112199314 846457105 /nfs/dbraw/zinc/45/71/05/846457105.db2.gz QQUAMURFMJYTQC-ZYHUDNBSSA-N 2 2 361.368 0.328 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112217642 846472820 /nfs/dbraw/zinc/47/28/20/846472820.db2.gz QFOQKSIKBMEHLJ-IJLUTSLNSA-N 2 2 361.368 0.339 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590744 846532804 /nfs/dbraw/zinc/53/28/04/846532804.db2.gz OIRCCOBOKPMADC-RDJZCZTQSA-N 2 2 368.503 0.536 20 0 FCADLP COCCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590835 846533091 /nfs/dbraw/zinc/53/30/91/846533091.db2.gz SRUMSQGLTRELQR-WMZOPIPTSA-N 2 2 350.463 0.764 20 0 FCADLP COCCOC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276915285 861690127 /nfs/dbraw/zinc/69/01/27/861690127.db2.gz WKGHRQKPSYMPCH-KRWDZBQOSA-N 2 2 350.419 0.382 20 0 FCADLP COCCOC[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276915285 861690137 /nfs/dbraw/zinc/69/01/37/861690137.db2.gz WKGHRQKPSYMPCH-KRWDZBQOSA-N 2 2 350.419 0.382 20 0 FCADLP CCSCC[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276936941 861696606 /nfs/dbraw/zinc/69/66/06/861696606.db2.gz KKYFGLHNMJRKQT-UHFFFAOYSA-N 2 2 370.563 0.290 20 0 FCADLP C[C@H](CO)N(C[C@H](C)O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001116719668 846746249 /nfs/dbraw/zinc/74/62/49/846746249.db2.gz NPMCXQMISHTTGF-CABCVRRESA-N 2 2 356.511 0.318 20 0 FCADLP COCCc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001118198100 847321955 /nfs/dbraw/zinc/32/19/55/847321955.db2.gz GSKNVSDATWNQCQ-KBPBESRZSA-N 2 2 351.451 0.339 20 0 FCADLP COCCc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001118198100 847321962 /nfs/dbraw/zinc/32/19/62/847321962.db2.gz GSKNVSDATWNQCQ-KBPBESRZSA-N 2 2 351.451 0.339 20 0 FCADLP Cc1nc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001122834598 848544720 /nfs/dbraw/zinc/54/47/20/848544720.db2.gz BPKTUIOEKMXYEW-WKPIXPDZSA-N 2 2 351.451 0.010 20 0 FCADLP Cc1nc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001122834598 848544731 /nfs/dbraw/zinc/54/47/31/848544731.db2.gz BPKTUIOEKMXYEW-WKPIXPDZSA-N 2 2 351.451 0.010 20 0 FCADLP COCCOCC[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547731 848725826 /nfs/dbraw/zinc/72/58/26/848725826.db2.gz SAXNRHBOUHBWCG-HZPDHXFCSA-N 2 2 350.463 0.523 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851428 848779010 /nfs/dbraw/zinc/77/90/10/848779010.db2.gz MMJDYKNXHPIKGP-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851428 848779017 /nfs/dbraw/zinc/77/90/17/848779017.db2.gz MMJDYKNXHPIKGP-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851428 848779037 /nfs/dbraw/zinc/77/90/37/848779037.db2.gz MMJDYKNXHPIKGP-PMPSAXMXSA-N 2 2 350.467 0.140 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064650 848802050 /nfs/dbraw/zinc/80/20/50/848802050.db2.gz KAUZZNWFSDAPFF-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064650 848802051 /nfs/dbraw/zinc/80/20/51/848802051.db2.gz KAUZZNWFSDAPFF-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064650 848802053 /nfs/dbraw/zinc/80/20/53/848802053.db2.gz KAUZZNWFSDAPFF-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064650 848802055 /nfs/dbraw/zinc/80/20/55/848802055.db2.gz KAUZZNWFSDAPFF-OAGGEKHMSA-N 2 2 350.467 0.140 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129060375 848802491 /nfs/dbraw/zinc/80/24/91/848802491.db2.gz OOPQHTSXGVTICV-PFTUTDBESA-N 2 2 354.886 0.958 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129060375 848802497 /nfs/dbraw/zinc/80/24/97/848802497.db2.gz OOPQHTSXGVTICV-PFTUTDBESA-N 2 2 354.886 0.958 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC001130184137 848962286 /nfs/dbraw/zinc/96/22/86/848962286.db2.gz BXYHZZMLOSGZFJ-ZWNOBZJWSA-N 2 2 355.464 0.026 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC001130184137 848962290 /nfs/dbraw/zinc/96/22/90/848962290.db2.gz BXYHZZMLOSGZFJ-ZWNOBZJWSA-N 2 2 355.464 0.026 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131599527 849128491 /nfs/dbraw/zinc/12/84/91/849128491.db2.gz CZNWEKGXDBKPIB-QAPCUYQASA-N 2 2 350.463 0.629 20 0 FCADLP CCS(=O)(=O)CCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049976 849170655 /nfs/dbraw/zinc/17/06/55/849170655.db2.gz XZGKZCVRKIGQIT-HUUCEWRRSA-N 2 2 370.519 0.834 20 0 FCADLP C[NH+](C)CCCN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCS(=O)(=O)C1 ZINC001137204601 849258475 /nfs/dbraw/zinc/25/84/75/849258475.db2.gz JMDOJJLWVYACMM-AWEZNQCLSA-N 2 2 364.471 0.915 20 0 FCADLP COCC(=O)NC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)s2)CC1 ZINC001139324846 849337278 /nfs/dbraw/zinc/33/72/78/849337278.db2.gz RDGQBCZKMMDJCG-UHFFFAOYSA-N 2 2 367.519 0.622 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)s2)CC1 ZINC001139324922 849337545 /nfs/dbraw/zinc/33/75/45/849337545.db2.gz UORIVFPJHAQAMK-HNNXBMFYSA-N 2 2 351.520 0.801 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](N4CCOCC4)C3)s2)CC1 ZINC001139324922 849337553 /nfs/dbraw/zinc/33/75/53/849337553.db2.gz UORIVFPJHAQAMK-HNNXBMFYSA-N 2 2 351.520 0.801 20 0 FCADLP OC[C@H]1C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761837 849348220 /nfs/dbraw/zinc/34/82/20/849348220.db2.gz ODORDSCZEKXNNJ-IEBWSBKVSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@H]1O ZINC001139761837 849348228 /nfs/dbraw/zinc/34/82/28/849348228.db2.gz ODORDSCZEKXNNJ-IEBWSBKVSA-N 2 2 350.459 0.573 20 0 FCADLP COC(=O)CCn1nc(C)c(C[N@H+](C)CCN2CC[NH+](C)CC2)c1C ZINC001139789064 849348853 /nfs/dbraw/zinc/34/88/53/849348853.db2.gz WPMPXCPORYBBQA-UHFFFAOYSA-N 2 2 351.495 0.742 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)s1 ZINC001139816902 849350482 /nfs/dbraw/zinc/35/04/82/849350482.db2.gz QTDVKLWQDMLVNE-UKRRQHHQSA-N 2 2 368.503 0.763 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)s1 ZINC001139816902 849350487 /nfs/dbraw/zinc/35/04/87/849350487.db2.gz QTDVKLWQDMLVNE-UKRRQHHQSA-N 2 2 368.503 0.763 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)s1 ZINC001139816902 849350494 /nfs/dbraw/zinc/35/04/94/849350494.db2.gz QTDVKLWQDMLVNE-UKRRQHHQSA-N 2 2 368.503 0.763 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)s1 ZINC001139816902 849350501 /nfs/dbraw/zinc/35/05/01/849350501.db2.gz QTDVKLWQDMLVNE-UKRRQHHQSA-N 2 2 368.503 0.763 20 0 FCADLP CCN(CC)C(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998465 849772598 /nfs/dbraw/zinc/77/25/98/849772598.db2.gz SAGFGMZJJDESHF-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998465 849772613 /nfs/dbraw/zinc/77/26/13/849772613.db2.gz SAGFGMZJJDESHF-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998465 849772617 /nfs/dbraw/zinc/77/26/17/849772617.db2.gz SAGFGMZJJDESHF-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998465 849772626 /nfs/dbraw/zinc/77/26/26/849772626.db2.gz SAGFGMZJJDESHF-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001155228331 849839605 /nfs/dbraw/zinc/83/96/05/849839605.db2.gz ZLFIXYQLWBRZIH-CQSZACIVSA-N 2 2 351.451 0.856 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001158000776 850011172 /nfs/dbraw/zinc/01/11/72/850011172.db2.gz ZTFRBXFXGANIMY-JKSUJKDBSA-N 2 2 365.499 0.919 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])Cc1ccccc1Cl ZINC001157998784 850011323 /nfs/dbraw/zinc/01/13/23/850011323.db2.gz HQPBTEMCVJDTEE-HIFRSBDPSA-N 2 2 353.850 0.963 20 0 FCADLP CC(C)N1Cc2c(nc(Cl)nc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)C1=O ZINC001158206232 850023175 /nfs/dbraw/zinc/02/31/75/850023175.db2.gz FCSSWTIYQPCASR-SECBINFHSA-N 2 2 350.810 0.542 20 0 FCADLP COC(=O)c1cc2c(nc(Cl)nc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)[nH]1 ZINC001158206186 850023279 /nfs/dbraw/zinc/02/32/79/850023279.db2.gz BUHHBHKVEPYAJS-SSDOTTSWSA-N 2 2 350.766 0.446 20 0 FCADLP CCC[C@H](C)NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158209119 850023378 /nfs/dbraw/zinc/02/33/78/850023378.db2.gz GRHBCVLYNNAOGT-QWHCGFSZSA-N 2 2 367.475 0.596 20 0 FCADLP Cc1nc(CO[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)[C@@H]3CCCO[C@H]23)cs1 ZINC001159506950 850120188 /nfs/dbraw/zinc/12/01/88/850120188.db2.gz IYKHLJISHXGMDN-GZFHQYITSA-N 2 2 366.487 0.416 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159833993 850139173 /nfs/dbraw/zinc/13/91/73/850139173.db2.gz SZEVQHDURROHFA-MTIZKJLRSA-N 2 2 370.544 0.662 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833993 850139177 /nfs/dbraw/zinc/13/91/77/850139177.db2.gz SZEVQHDURROHFA-MTIZKJLRSA-N 2 2 370.544 0.662 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833481 850139774 /nfs/dbraw/zinc/13/97/74/850139774.db2.gz MGYYEPNGWOEIDK-HZSPNIEDSA-N 2 2 366.487 0.846 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833482 850139934 /nfs/dbraw/zinc/13/99/34/850139934.db2.gz MGYYEPNGWOEIDK-IHRRRGAJSA-N 2 2 366.487 0.846 20 0 FCADLP O=C(NCCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160333185 850167587 /nfs/dbraw/zinc/16/75/87/850167587.db2.gz YJHMNJAHGOWVID-QJPTWQEYSA-N 2 2 364.368 0.549 20 0 FCADLP O=C(NCCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160333185 850167593 /nfs/dbraw/zinc/16/75/93/850167593.db2.gz YJHMNJAHGOWVID-QJPTWQEYSA-N 2 2 364.368 0.549 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)c2cnc(C[NH3+])s2)CC1 ZINC001160391795 850170097 /nfs/dbraw/zinc/17/00/97/850170097.db2.gz PZWKTFNPFNMSRT-UHFFFAOYSA-N 2 2 365.503 0.761 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794386 862099386 /nfs/dbraw/zinc/09/93/86/862099386.db2.gz HXOPSDHQRJFYJO-SJLPKXTDSA-N 2 2 350.463 0.630 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794386 862099400 /nfs/dbraw/zinc/09/94/00/862099400.db2.gz HXOPSDHQRJFYJO-SJLPKXTDSA-N 2 2 350.463 0.630 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506966 850178290 /nfs/dbraw/zinc/17/82/90/850178290.db2.gz SLJKISVLTZROGF-WCFLWFBJSA-N 2 2 351.838 0.450 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001160691236 850192324 /nfs/dbraw/zinc/19/23/24/850192324.db2.gz OOFMMHAQFXZTNQ-LBPRGKRZSA-N 2 2 350.810 0.705 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CC(F)(F)C3)C[C@H]1C2 ZINC001160791956 850198493 /nfs/dbraw/zinc/19/84/93/850198493.db2.gz JIBZXGIYTVJWMK-VBTGVMJWSA-N 2 2 357.401 0.088 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833092 862121214 /nfs/dbraw/zinc/12/12/14/862121214.db2.gz BFNRBOUKOMTSTC-RHSMWYFYSA-N 2 2 363.449 0.505 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833092 862121220 /nfs/dbraw/zinc/12/12/20/862121220.db2.gz BFNRBOUKOMTSTC-RHSMWYFYSA-N 2 2 363.449 0.505 20 0 FCADLP CC(C)[N@@H+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[C@H]1C ZINC001165199029 850427914 /nfs/dbraw/zinc/42/79/14/850427914.db2.gz QDGQBIDVMRPJKE-CYBMUJFWSA-N 2 2 367.519 0.487 20 0 FCADLP CC(C)[N@H+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[C@H]1C ZINC001165199029 850427926 /nfs/dbraw/zinc/42/79/26/850427926.db2.gz QDGQBIDVMRPJKE-CYBMUJFWSA-N 2 2 367.519 0.487 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(=O)(=O)c3ccccc3)nn2)CC1 ZINC001168735504 850591454 /nfs/dbraw/zinc/59/14/54/850591454.db2.gz APUSARNQPRBQQU-UHFFFAOYSA-N 2 2 360.443 0.903 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(F)c(CN2CCOCC2)c(F)c1 ZINC001169075372 850604314 /nfs/dbraw/zinc/60/43/14/850604314.db2.gz GINRSDYLBQQTJP-GFCCVEGCSA-N 2 2 352.385 0.845 20 0 FCADLP COC(=O)c1ncc(Br)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073879 850604628 /nfs/dbraw/zinc/60/46/28/850604628.db2.gz FVCIKHAAGVDVFY-SECBINFHSA-N 2 2 355.192 0.679 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001178000576 850879623 /nfs/dbraw/zinc/87/96/23/850879623.db2.gz UUQBCDZKLPDQOK-UHFFFAOYSA-N 2 2 363.443 0.289 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=S)NCC[NH+](C)C)C1=O ZINC001278105388 862190821 /nfs/dbraw/zinc/19/08/21/862190821.db2.gz UCYBIHIYSXFLAY-KRWDZBQOSA-N 2 2 364.519 0.423 20 0 FCADLP COC[C@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630237 850991970 /nfs/dbraw/zinc/99/19/70/850991970.db2.gz MMABTKGGRHHOMO-BZUAXINKSA-N 2 2 352.479 0.797 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCC[NH2+]CCOCCO ZINC001179630037 850992265 /nfs/dbraw/zinc/99/22/65/850992265.db2.gz GJKKMGLGXQFRIZ-HZPDHXFCSA-N 2 2 352.479 0.799 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304855 851543371 /nfs/dbraw/zinc/54/33/71/851543371.db2.gz NYOHRDLAPOCOCK-ARFHVFGLSA-N 2 2 350.507 0.776 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304855 851543380 /nfs/dbraw/zinc/54/33/80/851543380.db2.gz NYOHRDLAPOCOCK-ARFHVFGLSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304855 851543383 /nfs/dbraw/zinc/54/33/83/851543383.db2.gz NYOHRDLAPOCOCK-ARFHVFGLSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001187304855 851543392 /nfs/dbraw/zinc/54/33/92/851543392.db2.gz NYOHRDLAPOCOCK-ARFHVFGLSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001188106925 851645623 /nfs/dbraw/zinc/64/56/23/851645623.db2.gz CVFRUVBTXDJDPR-NUEKZKHPSA-N 2 2 354.470 0.478 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246914 851768801 /nfs/dbraw/zinc/76/88/01/851768801.db2.gz XCUJWPLVWZBEQR-USXIJHARSA-N 2 2 350.463 0.518 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246914 851768802 /nfs/dbraw/zinc/76/88/02/851768802.db2.gz XCUJWPLVWZBEQR-USXIJHARSA-N 2 2 350.463 0.518 20 0 FCADLP CC1(C)OCC(C[N@@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)CO1 ZINC001278267772 862283324 /nfs/dbraw/zinc/28/33/24/862283324.db2.gz NRBKCPFHYLXUPW-IRXDYDNUSA-N 2 2 350.463 0.667 20 0 FCADLP CC1(C)OCC(C[N@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)CO1 ZINC001278267772 862283341 /nfs/dbraw/zinc/28/33/41/862283341.db2.gz NRBKCPFHYLXUPW-IRXDYDNUSA-N 2 2 350.463 0.667 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370852 851898576 /nfs/dbraw/zinc/89/85/76/851898576.db2.gz JIKLCRKHXZYBNL-JKSUJKDBSA-N 2 2 359.536 0.684 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370852 851898583 /nfs/dbraw/zinc/89/85/83/851898583.db2.gz JIKLCRKHXZYBNL-JKSUJKDBSA-N 2 2 359.536 0.684 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190370852 851898588 /nfs/dbraw/zinc/89/85/88/851898588.db2.gz JIKLCRKHXZYBNL-JKSUJKDBSA-N 2 2 359.536 0.684 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370852 851898590 /nfs/dbraw/zinc/89/85/90/851898590.db2.gz JIKLCRKHXZYBNL-JKSUJKDBSA-N 2 2 359.536 0.684 20 0 FCADLP CCCCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190898476 851980017 /nfs/dbraw/zinc/98/00/17/851980017.db2.gz CAEYKPGKWQCLRT-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190898476 851980022 /nfs/dbraw/zinc/98/00/22/851980022.db2.gz CAEYKPGKWQCLRT-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190898476 851980029 /nfs/dbraw/zinc/98/00/29/851980029.db2.gz CAEYKPGKWQCLRT-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190898476 851980037 /nfs/dbraw/zinc/98/00/37/851980037.db2.gz CAEYKPGKWQCLRT-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109812 852356872 /nfs/dbraw/zinc/35/68/72/852356872.db2.gz CDGXFTUVRQUABE-HZPDHXFCSA-N 2 2 350.463 0.348 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193109812 852356879 /nfs/dbraw/zinc/35/68/79/852356879.db2.gz CDGXFTUVRQUABE-HZPDHXFCSA-N 2 2 350.463 0.348 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001193446909 852427996 /nfs/dbraw/zinc/42/79/96/852427996.db2.gz CEKWHAXZSCSZCB-BZUAXINKSA-N 2 2 355.458 0.070 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001193446909 852428002 /nfs/dbraw/zinc/42/80/02/852428002.db2.gz CEKWHAXZSCSZCB-BZUAXINKSA-N 2 2 355.458 0.070 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1O ZINC001193447898 852428796 /nfs/dbraw/zinc/42/87/96/852428796.db2.gz YYSBHDJNHHTOKO-BRWVUGGUSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1O ZINC001193447898 852428804 /nfs/dbraw/zinc/42/88/04/852428804.db2.gz YYSBHDJNHHTOKO-BRWVUGGUSA-N 2 2 352.454 0.731 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)o1 ZINC001193960742 852516841 /nfs/dbraw/zinc/51/68/41/852516841.db2.gz CDQFDAADVQFMNQ-CPUCHLNUSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)o1 ZINC001193960742 852516847 /nfs/dbraw/zinc/51/68/47/852516847.db2.gz CDQFDAADVQFMNQ-CPUCHLNUSA-N 2 2 352.479 0.793 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cs1 ZINC001193961521 852517077 /nfs/dbraw/zinc/51/70/77/852517077.db2.gz UGPZDOZVRYITGT-OAGGEKHMSA-N 2 2 354.520 0.742 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cs1 ZINC001193961521 852517082 /nfs/dbraw/zinc/51/70/82/852517082.db2.gz UGPZDOZVRYITGT-OAGGEKHMSA-N 2 2 354.520 0.742 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085652 852534811 /nfs/dbraw/zinc/53/48/11/852534811.db2.gz HLHRGSHTNABPKJ-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085652 852534816 /nfs/dbraw/zinc/53/48/16/852534816.db2.gz HLHRGSHTNABPKJ-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CC1 ZINC001194909124 852669950 /nfs/dbraw/zinc/66/99/50/852669950.db2.gz KGBRFHZMRUXNTF-BZUAXINKSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CC1 ZINC001194909124 852669958 /nfs/dbraw/zinc/66/99/58/852669958.db2.gz KGBRFHZMRUXNTF-BZUAXINKSA-N 2 2 350.463 0.329 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221943 852726671 /nfs/dbraw/zinc/72/66/71/852726671.db2.gz MTXJIDSCSODCPK-QLFBSQMISA-N 2 2 354.495 0.066 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221943 852726677 /nfs/dbraw/zinc/72/66/77/852726677.db2.gz MTXJIDSCSODCPK-QLFBSQMISA-N 2 2 354.495 0.066 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001195859350 852836824 /nfs/dbraw/zinc/83/68/24/852836824.db2.gz HPCFZFNCQIFNAM-BZUAXINKSA-N 2 2 355.866 0.486 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001195859350 852836829 /nfs/dbraw/zinc/83/68/29/852836829.db2.gz HPCFZFNCQIFNAM-BZUAXINKSA-N 2 2 355.866 0.486 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)[NH+](C)C ZINC001195981622 852859959 /nfs/dbraw/zinc/85/99/59/852859959.db2.gz XFIORGSOQOSREZ-RBSFLKMASA-N 2 2 357.886 0.284 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196251348 852924962 /nfs/dbraw/zinc/92/49/62/852924962.db2.gz JMSQVOIWNXWRGP-KCYZZUKISA-N 2 2 350.463 0.358 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196251348 852924963 /nfs/dbraw/zinc/92/49/63/852924963.db2.gz JMSQVOIWNXWRGP-KCYZZUKISA-N 2 2 350.463 0.358 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196644988 852991753 /nfs/dbraw/zinc/99/17/53/852991753.db2.gz LLSVVVPLVROVNQ-HZPDHXFCSA-N 2 2 352.479 0.983 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196644988 852991757 /nfs/dbraw/zinc/99/17/57/852991757.db2.gz LLSVVVPLVROVNQ-HZPDHXFCSA-N 2 2 352.479 0.983 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c(C)s1 ZINC001196960323 853039456 /nfs/dbraw/zinc/03/94/56/853039456.db2.gz FBPZOVRKFRGTIG-IAGOWNOFSA-N 2 2 367.515 0.749 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c(C)s1 ZINC001196960323 853039460 /nfs/dbraw/zinc/03/94/60/853039460.db2.gz FBPZOVRKFRGTIG-IAGOWNOFSA-N 2 2 367.515 0.749 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1O ZINC001197001026 853047608 /nfs/dbraw/zinc/04/76/08/853047608.db2.gz PRTZOTMLILIDKK-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1O ZINC001197001026 853047611 /nfs/dbraw/zinc/04/76/11/853047611.db2.gz PRTZOTMLILIDKK-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001197001026 853047616 /nfs/dbraw/zinc/04/76/16/853047616.db2.gz PRTZOTMLILIDKK-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001197001026 853047621 /nfs/dbraw/zinc/04/76/21/853047621.db2.gz PRTZOTMLILIDKK-IAGOWNOFSA-N 2 2 351.495 0.594 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197050023 853052815 /nfs/dbraw/zinc/05/28/15/853052815.db2.gz SRITVYFISYCKIQ-IXDOHACOSA-N 2 2 353.438 0.362 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001197050023 853052818 /nfs/dbraw/zinc/05/28/18/853052818.db2.gz SRITVYFISYCKIQ-IXDOHACOSA-N 2 2 353.438 0.362 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528562 853126464 /nfs/dbraw/zinc/12/64/64/853126464.db2.gz OBTIGBMZHLHDGY-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197528562 853126472 /nfs/dbraw/zinc/12/64/72/853126472.db2.gz OBTIGBMZHLHDGY-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197528562 853126479 /nfs/dbraw/zinc/12/64/79/853126479.db2.gz OBTIGBMZHLHDGY-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197528562 853126487 /nfs/dbraw/zinc/12/64/87/853126487.db2.gz OBTIGBMZHLHDGY-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1O ZINC001197782927 853161738 /nfs/dbraw/zinc/16/17/38/853161738.db2.gz KTURKSWHZAHLGQ-HZPDHXFCSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1O ZINC001197782927 853161743 /nfs/dbraw/zinc/16/17/43/853161743.db2.gz KTURKSWHZAHLGQ-HZPDHXFCSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001197949486 853190128 /nfs/dbraw/zinc/19/01/28/853190128.db2.gz RYBWEENVKJDCEP-HUUCEWRRSA-N 2 2 357.886 0.430 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001197949486 853190130 /nfs/dbraw/zinc/19/01/30/853190130.db2.gz RYBWEENVKJDCEP-HUUCEWRRSA-N 2 2 357.886 0.430 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001197997274 853201486 /nfs/dbraw/zinc/20/14/86/853201486.db2.gz XKTFDNIJNDZLNV-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001197997274 853201494 /nfs/dbraw/zinc/20/14/94/853201494.db2.gz XKTFDNIJNDZLNV-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001197997274 853201503 /nfs/dbraw/zinc/20/15/03/853201503.db2.gz XKTFDNIJNDZLNV-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001197997274 853201511 /nfs/dbraw/zinc/20/15/11/853201511.db2.gz XKTFDNIJNDZLNV-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001199104402 853371344 /nfs/dbraw/zinc/37/13/44/853371344.db2.gz LULFKJOUOVQVQR-BRWVUGGUSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001199104402 853371350 /nfs/dbraw/zinc/37/13/50/853371350.db2.gz LULFKJOUOVQVQR-BRWVUGGUSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001199104402 853371354 /nfs/dbraw/zinc/37/13/54/853371354.db2.gz LULFKJOUOVQVQR-BRWVUGGUSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001199104402 853371359 /nfs/dbraw/zinc/37/13/59/853371359.db2.gz LULFKJOUOVQVQR-BRWVUGGUSA-N 2 2 353.438 0.361 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370203 853415096 /nfs/dbraw/zinc/41/50/96/853415096.db2.gz OCEZQXDOJQZOJA-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370203 853415099 /nfs/dbraw/zinc/41/50/99/853415099.db2.gz OCEZQXDOJQZOJA-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001199405330 853420671 /nfs/dbraw/zinc/42/06/71/853420671.db2.gz ABSHTPUJAHQGQE-VXGBXAGGSA-N 2 2 350.341 0.013 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001199405330 853420673 /nfs/dbraw/zinc/42/06/73/853420673.db2.gz ABSHTPUJAHQGQE-VXGBXAGGSA-N 2 2 350.341 0.013 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=S)NCC[NH+]1CCCCC1 ZINC001200443856 853498479 /nfs/dbraw/zinc/49/84/79/853498479.db2.gz APABOMHBSHJUPQ-AWEZNQCLSA-N 2 2 353.492 0.454 20 0 FCADLP CCc1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)on1 ZINC001203217528 853579607 /nfs/dbraw/zinc/57/96/07/853579607.db2.gz FHHFACKZWZEZAD-RHSMWYFYSA-N 2 2 350.463 0.848 20 0 FCADLP CCc1cc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)on1 ZINC001203217528 853579611 /nfs/dbraw/zinc/57/96/11/853579611.db2.gz FHHFACKZWZEZAD-RHSMWYFYSA-N 2 2 350.463 0.848 20 0 FCADLP CCc1cc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)on1 ZINC001203217528 853579615 /nfs/dbraw/zinc/57/96/15/853579615.db2.gz FHHFACKZWZEZAD-RHSMWYFYSA-N 2 2 350.463 0.848 20 0 FCADLP CCc1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)on1 ZINC001203217528 853579620 /nfs/dbraw/zinc/57/96/20/853579620.db2.gz FHHFACKZWZEZAD-RHSMWYFYSA-N 2 2 350.463 0.848 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@@H]21 ZINC001278793533 862483799 /nfs/dbraw/zinc/48/37/99/862483799.db2.gz UCBGOFXWCCSNLN-KBPBESRZSA-N 2 2 359.396 0.942 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnc(C(F)(F)F)nc3)C[C@@H]21 ZINC001278793533 862483809 /nfs/dbraw/zinc/48/38/09/862483809.db2.gz UCBGOFXWCCSNLN-KBPBESRZSA-N 2 2 359.396 0.942 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919497 853752312 /nfs/dbraw/zinc/75/23/12/853752312.db2.gz WNLDROOIORTXAG-OWCLPIDISA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919497 853752317 /nfs/dbraw/zinc/75/23/17/853752317.db2.gz WNLDROOIORTXAG-OWCLPIDISA-N 2 2 352.479 0.812 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921271 853752427 /nfs/dbraw/zinc/75/24/27/853752427.db2.gz ICUPIYTUTUYKCK-ZIAGYGMSSA-N 2 2 371.507 0.108 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921271 853752434 /nfs/dbraw/zinc/75/24/34/853752434.db2.gz ICUPIYTUTUYKCK-ZIAGYGMSSA-N 2 2 371.507 0.108 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207551002 853823509 /nfs/dbraw/zinc/82/35/09/853823509.db2.gz QEMKNUOSNRPWCK-BMFZPTHFSA-N 2 2 359.536 0.588 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207551002 853823514 /nfs/dbraw/zinc/82/35/14/853823514.db2.gz QEMKNUOSNRPWCK-BMFZPTHFSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247591 853906734 /nfs/dbraw/zinc/90/67/34/853906734.db2.gz OIPFNRXVZUKFSZ-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247591 853906735 /nfs/dbraw/zinc/90/67/35/853906735.db2.gz OIPFNRXVZUKFSZ-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405248 853928141 /nfs/dbraw/zinc/92/81/41/853928141.db2.gz PCFGERFMBFTFQM-OAGGEKHMSA-N 2 2 354.495 0.057 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405248 853928145 /nfs/dbraw/zinc/92/81/45/853928145.db2.gz PCFGERFMBFTFQM-OAGGEKHMSA-N 2 2 354.495 0.057 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405248 853928149 /nfs/dbraw/zinc/92/81/49/853928149.db2.gz PCFGERFMBFTFQM-OAGGEKHMSA-N 2 2 354.495 0.057 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405248 853928157 /nfs/dbraw/zinc/92/81/57/853928157.db2.gz PCFGERFMBFTFQM-OAGGEKHMSA-N 2 2 354.495 0.057 20 0 FCADLP C[NH+](C)CCOc1ccc(CNS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC001208410475 853929918 /nfs/dbraw/zinc/92/99/18/853929918.db2.gz VRJCPWKNQIPTAJ-UHFFFAOYSA-N 2 2 356.492 0.209 20 0 FCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441994 853934614 /nfs/dbraw/zinc/93/46/14/853934614.db2.gz YWUCDZSAZVBLPV-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441994 853934620 /nfs/dbraw/zinc/93/46/20/853934620.db2.gz YWUCDZSAZVBLPV-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001208571686 853953929 /nfs/dbraw/zinc/95/39/29/853953929.db2.gz PWHPWTAZMHGGSK-MCIONIFRSA-N 2 2 352.483 0.165 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001208571686 853953932 /nfs/dbraw/zinc/95/39/32/853953932.db2.gz PWHPWTAZMHGGSK-MCIONIFRSA-N 2 2 352.483 0.165 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591510 853956982 /nfs/dbraw/zinc/95/69/82/853956982.db2.gz ZEDDDGMXHREVMB-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591510 853956985 /nfs/dbraw/zinc/95/69/85/853956985.db2.gz ZEDDDGMXHREVMB-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208591510 853956988 /nfs/dbraw/zinc/95/69/88/853956988.db2.gz ZEDDDGMXHREVMB-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208591510 853956990 /nfs/dbraw/zinc/95/69/90/853956990.db2.gz ZEDDDGMXHREVMB-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591511 853957745 /nfs/dbraw/zinc/95/77/45/853957745.db2.gz ZEDDDGMXHREVMB-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591511 853957748 /nfs/dbraw/zinc/95/77/48/853957748.db2.gz ZEDDDGMXHREVMB-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208591511 853957750 /nfs/dbraw/zinc/95/77/50/853957750.db2.gz ZEDDDGMXHREVMB-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208591511 853957755 /nfs/dbraw/zinc/95/77/55/853957755.db2.gz ZEDDDGMXHREVMB-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208596973 853958500 /nfs/dbraw/zinc/95/85/00/853958500.db2.gz GIKDUEUSQIWZIM-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208596973 853958503 /nfs/dbraw/zinc/95/85/03/853958503.db2.gz GIKDUEUSQIWZIM-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208596973 853958507 /nfs/dbraw/zinc/95/85/07/853958507.db2.gz GIKDUEUSQIWZIM-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208596973 853958512 /nfs/dbraw/zinc/95/85/12/853958512.db2.gz GIKDUEUSQIWZIM-BZUAXINKSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506161 854032582 /nfs/dbraw/zinc/03/25/82/854032582.db2.gz HHZUCSRGRQNNPO-GDBMZVCRSA-N 2 2 369.897 0.695 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506161 854032590 /nfs/dbraw/zinc/03/25/90/854032590.db2.gz HHZUCSRGRQNNPO-GDBMZVCRSA-N 2 2 369.897 0.695 20 0 FCADLP COCCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209699273 854047055 /nfs/dbraw/zinc/04/70/55/854047055.db2.gz ILDARXNBCXFRSX-ARFHVFGLSA-N 2 2 350.463 0.767 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001210604653 854120224 /nfs/dbraw/zinc/12/02/24/854120224.db2.gz NMTJZLWPAHIMFT-FRFSOERESA-N 2 2 352.479 0.731 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1C ZINC001210604653 854120229 /nfs/dbraw/zinc/12/02/29/854120229.db2.gz NMTJZLWPAHIMFT-FRFSOERESA-N 2 2 352.479 0.731 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038705 854149277 /nfs/dbraw/zinc/14/92/77/854149277.db2.gz KPGHUMGBFGRBAD-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038705 854149282 /nfs/dbraw/zinc/14/92/82/854149282.db2.gz KPGHUMGBFGRBAD-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366614 854181842 /nfs/dbraw/zinc/18/18/42/854181842.db2.gz FZASQSAYRYKUMZ-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366614 854181845 /nfs/dbraw/zinc/18/18/45/854181845.db2.gz FZASQSAYRYKUMZ-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366614 854181848 /nfs/dbraw/zinc/18/18/48/854181848.db2.gz FZASQSAYRYKUMZ-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366614 854181850 /nfs/dbraw/zinc/18/18/50/854181850.db2.gz FZASQSAYRYKUMZ-OAGGEKHMSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374172 854183933 /nfs/dbraw/zinc/18/39/33/854183933.db2.gz BGMDXUAJEPIFGD-QGPMSJSTSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C)[NH+]1CCCC1 ZINC001211374172 854183938 /nfs/dbraw/zinc/18/39/38/854183938.db2.gz BGMDXUAJEPIFGD-QGPMSJSTSA-N 2 2 350.507 0.822 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212385565 854459485 /nfs/dbraw/zinc/45/94/85/854459485.db2.gz OVRIPPYLHMBQJQ-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212385565 854459489 /nfs/dbraw/zinc/45/94/89/854459489.db2.gz OVRIPPYLHMBQJQ-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CC1 ZINC001212385565 854459497 /nfs/dbraw/zinc/45/94/97/854459497.db2.gz OVRIPPYLHMBQJQ-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1)C1CC1 ZINC001212385565 854459504 /nfs/dbraw/zinc/45/95/04/854459504.db2.gz OVRIPPYLHMBQJQ-IXDOHACOSA-N 2 2 350.463 0.973 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212459122 854487828 /nfs/dbraw/zinc/48/78/28/854487828.db2.gz XQAXUWJVFVRJJD-BZUAXINKSA-N 2 2 359.486 0.908 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212459122 854487834 /nfs/dbraw/zinc/48/78/34/854487834.db2.gz XQAXUWJVFVRJJD-BZUAXINKSA-N 2 2 359.486 0.908 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001212476934 854494796 /nfs/dbraw/zinc/49/47/96/854494796.db2.gz KBJZUERVIGUTSM-USXIJHARSA-N 2 2 350.463 0.686 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001212476934 854494801 /nfs/dbraw/zinc/49/48/01/854494801.db2.gz KBJZUERVIGUTSM-USXIJHARSA-N 2 2 350.463 0.686 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241666 854546837 /nfs/dbraw/zinc/54/68/37/854546837.db2.gz IEJYOSMTNLZLNI-YNEHKIRRSA-N 2 2 364.368 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241666 854546846 /nfs/dbraw/zinc/54/68/46/854546846.db2.gz IEJYOSMTNLZLNI-YNEHKIRRSA-N 2 2 364.368 0.402 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CC1 ZINC001213243931 854547812 /nfs/dbraw/zinc/54/78/12/854547812.db2.gz QSALNIGLTYXLQN-BRWVUGGUSA-N 2 2 350.463 0.904 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CC1 ZINC001213243931 854547831 /nfs/dbraw/zinc/54/78/31/854547831.db2.gz QSALNIGLTYXLQN-BRWVUGGUSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241947 854548377 /nfs/dbraw/zinc/54/83/77/854548377.db2.gz WCXUZBIUGYQZHU-GVDBMIGSSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241947 854548378 /nfs/dbraw/zinc/54/83/78/854548378.db2.gz WCXUZBIUGYQZHU-GVDBMIGSSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001213442076 854618852 /nfs/dbraw/zinc/61/88/52/854618852.db2.gz LJVRMEXHUCPKMB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001213442076 854618844 /nfs/dbraw/zinc/61/88/44/854618844.db2.gz LJVRMEXHUCPKMB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001213442076 854618847 /nfs/dbraw/zinc/61/88/47/854618847.db2.gz LJVRMEXHUCPKMB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001213442076 854618856 /nfs/dbraw/zinc/61/88/56/854618856.db2.gz LJVRMEXHUCPKMB-MGPQQGTHSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449372 854621756 /nfs/dbraw/zinc/62/17/56/854621756.db2.gz MKDQIXGKFJMTMC-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449372 854621757 /nfs/dbraw/zinc/62/17/57/854621757.db2.gz MKDQIXGKFJMTMC-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213449372 854621758 /nfs/dbraw/zinc/62/17/58/854621758.db2.gz MKDQIXGKFJMTMC-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213449372 854621759 /nfs/dbraw/zinc/62/17/59/854621759.db2.gz MKDQIXGKFJMTMC-QLFBSQMISA-N 2 2 354.495 0.010 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598542 854679980 /nfs/dbraw/zinc/67/99/80/854679980.db2.gz ILKUDZJFZCNBKC-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598542 854679989 /nfs/dbraw/zinc/67/99/89/854679989.db2.gz ILKUDZJFZCNBKC-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213676119 854712430 /nfs/dbraw/zinc/71/24/30/854712430.db2.gz QGTBXBVAHKLUGI-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213676119 854712432 /nfs/dbraw/zinc/71/24/32/854712432.db2.gz QGTBXBVAHKLUGI-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213676119 854712435 /nfs/dbraw/zinc/71/24/35/854712435.db2.gz QGTBXBVAHKLUGI-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213676119 854712437 /nfs/dbraw/zinc/71/24/37/854712437.db2.gz QGTBXBVAHKLUGI-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213712991 854730599 /nfs/dbraw/zinc/73/05/99/854730599.db2.gz JQKQRUSFVKKUQJ-BZUAXINKSA-N 2 2 356.511 0.578 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1OC ZINC001213712991 854730605 /nfs/dbraw/zinc/73/06/05/854730605.db2.gz JQKQRUSFVKKUQJ-BZUAXINKSA-N 2 2 356.511 0.578 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747057 854748947 /nfs/dbraw/zinc/74/89/47/854748947.db2.gz BZDDYTBEIWMGED-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747057 854748954 /nfs/dbraw/zinc/74/89/54/854748954.db2.gz BZDDYTBEIWMGED-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765044 854758447 /nfs/dbraw/zinc/75/84/47/854758447.db2.gz RNOGLGUUNXHSJK-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765044 854758449 /nfs/dbraw/zinc/75/84/49/854758449.db2.gz RNOGLGUUNXHSJK-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765044 854758451 /nfs/dbraw/zinc/75/84/51/854758451.db2.gz RNOGLGUUNXHSJK-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765044 854758452 /nfs/dbraw/zinc/75/84/52/854758452.db2.gz RNOGLGUUNXHSJK-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768869 854759563 /nfs/dbraw/zinc/75/95/63/854759563.db2.gz CQIXCJWNDXJLOV-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768869 854759570 /nfs/dbraw/zinc/75/95/70/854759570.db2.gz CQIXCJWNDXJLOV-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768869 854759573 /nfs/dbraw/zinc/75/95/73/854759573.db2.gz CQIXCJWNDXJLOV-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768869 854759579 /nfs/dbraw/zinc/75/95/79/854759579.db2.gz CQIXCJWNDXJLOV-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769092 854760512 /nfs/dbraw/zinc/76/05/12/854760512.db2.gz HTVCZLBEMYERRG-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769092 854760513 /nfs/dbraw/zinc/76/05/13/854760513.db2.gz HTVCZLBEMYERRG-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769092 854760518 /nfs/dbraw/zinc/76/05/18/854760518.db2.gz HTVCZLBEMYERRG-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769092 854760523 /nfs/dbraw/zinc/76/05/23/854760523.db2.gz HTVCZLBEMYERRG-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859594 854794516 /nfs/dbraw/zinc/79/45/16/854794516.db2.gz GLTQHYPHEOXDEH-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859594 854794523 /nfs/dbraw/zinc/79/45/23/854794523.db2.gz GLTQHYPHEOXDEH-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974416 854851121 /nfs/dbraw/zinc/85/11/21/854851121.db2.gz ZBRFWINMICUPJM-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974416 854851128 /nfs/dbraw/zinc/85/11/28/854851128.db2.gz ZBRFWINMICUPJM-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cnc(N3CCOCC3)s1)C2 ZINC001279064357 862623168 /nfs/dbraw/zinc/62/31/68/862623168.db2.gz JAMMPLSIJJQQEP-UHFFFAOYSA-N 2 2 351.520 0.659 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001214814511 855017654 /nfs/dbraw/zinc/01/76/54/855017654.db2.gz YHMATAYOJOGLDL-UMVBOHGHSA-N 2 2 356.492 0.460 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001214814511 855017662 /nfs/dbraw/zinc/01/76/62/855017662.db2.gz YHMATAYOJOGLDL-UMVBOHGHSA-N 2 2 356.492 0.460 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215023918 855053285 /nfs/dbraw/zinc/05/32/85/855053285.db2.gz BQFFZRPUEBAEHO-IUODEOHRSA-N 2 2 351.451 0.313 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268853 855091480 /nfs/dbraw/zinc/09/14/80/855091480.db2.gz AGQXFFSAEPMGNN-IXDOHACOSA-N 2 2 352.479 0.743 20 0 FCADLP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)[NH+]1CCCC1 ZINC001215598982 855131464 /nfs/dbraw/zinc/13/14/64/855131464.db2.gz MDYOCGQKPFLZQQ-IJEWVQPXSA-N 2 2 367.519 0.976 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001216064509 855167525 /nfs/dbraw/zinc/16/75/25/855167525.db2.gz BTOJTYSVXLAKDN-GHMZBOCLSA-N 2 2 361.368 0.409 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC001216383090 855196617 /nfs/dbraw/zinc/19/66/17/855196617.db2.gz HUWBKASTICNRNG-ZYHUDNBSSA-N 2 2 361.368 0.078 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001217001424 855275195 /nfs/dbraw/zinc/27/51/95/855275195.db2.gz VBVWJDWQUKGPGO-ZIAGYGMSSA-N 2 2 350.467 0.417 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001217010165 855275307 /nfs/dbraw/zinc/27/53/07/855275307.db2.gz IJJVZYUSPUKMPP-VXGBXAGGSA-N 2 2 361.368 0.340 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595542 855352574 /nfs/dbraw/zinc/35/25/74/855352574.db2.gz RDNPNGPOMZLYEK-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595542 855352580 /nfs/dbraw/zinc/35/25/80/855352580.db2.gz RDNPNGPOMZLYEK-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CC(C)OCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217595542 855352583 /nfs/dbraw/zinc/35/25/83/855352583.db2.gz RDNPNGPOMZLYEK-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CC(C)OCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217595542 855352586 /nfs/dbraw/zinc/35/25/86/855352586.db2.gz RDNPNGPOMZLYEK-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP Nc1ccc(I)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218505597 855431094 /nfs/dbraw/zinc/43/10/94/855431094.db2.gz IKNNJFNQHNQPMN-MRVPVSSYSA-N 2 2 372.170 0.500 20 0 FCADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218579825 855443479 /nfs/dbraw/zinc/44/34/79/855443479.db2.gz MIIBPYKKFPKLLM-TZMCWYRMSA-N 2 2 350.467 0.698 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581464 855443879 /nfs/dbraw/zinc/44/38/79/855443879.db2.gz GMPYKVVQDJYTMW-SOUVJXGZSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581464 855443882 /nfs/dbraw/zinc/44/38/82/855443882.db2.gz GMPYKVVQDJYTMW-SOUVJXGZSA-N 2 2 354.495 0.153 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600840 855446376 /nfs/dbraw/zinc/44/63/76/855446376.db2.gz QFLUYFCLFHRLAD-LSDHHAIUSA-N 2 2 368.503 0.082 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600840 855446380 /nfs/dbraw/zinc/44/63/80/855446380.db2.gz QFLUYFCLFHRLAD-LSDHHAIUSA-N 2 2 368.503 0.082 20 0 FCADLP O=C(Nc1nc[nH]c(=O)c1Br)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218680008 855463510 /nfs/dbraw/zinc/46/35/10/855463510.db2.gz NVHFUPLHYCHJBS-QMMMGPOBSA-N 2 2 356.224 0.757 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218814004 855481198 /nfs/dbraw/zinc/48/11/98/855481198.db2.gz LBDMISJGQFOJSD-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218814004 855481199 /nfs/dbraw/zinc/48/11/99/855481199.db2.gz LBDMISJGQFOJSD-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)c1cc(Br)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1OC ZINC001218865878 855488634 /nfs/dbraw/zinc/48/86/34/855488634.db2.gz NXOWLBLABWMIGR-HQJQHLMTSA-N 2 2 372.219 0.872 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218885622 855490785 /nfs/dbraw/zinc/49/07/85/855490785.db2.gz UOLJYBVYBYKGBV-RISCZKNCSA-N 2 2 370.475 0.353 20 0 FCADLP NS(=O)(=O)c1cc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(Cl)c1 ZINC001218961458 855503421 /nfs/dbraw/zinc/50/34/21/855503421.db2.gz BNZOXFNQXVBVAH-RCOVLWMOSA-N 2 2 353.231 0.126 20 0 FCADLP NS(=O)(=O)c1cc(Cl)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c(Cl)c1 ZINC001218962505 855503499 /nfs/dbraw/zinc/50/34/99/855503499.db2.gz NQAVKERAJMMZEC-UHFFFAOYSA-N 2 2 367.258 0.660 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067478 855535681 /nfs/dbraw/zinc/53/56/81/855535681.db2.gz UFGHFBJPWSQUFX-YESZJQIVSA-N 2 2 350.463 0.736 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067478 855535685 /nfs/dbraw/zinc/53/56/85/855535685.db2.gz UFGHFBJPWSQUFX-YESZJQIVSA-N 2 2 350.463 0.736 20 0 FCADLP CN(C)C(=O)c1cc(Br)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219278802 855614566 /nfs/dbraw/zinc/61/45/66/855614566.db2.gz XTWQXIJRGZLPTM-QWRGUYRKSA-N 2 2 355.236 0.636 20 0 FCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456279 855677517 /nfs/dbraw/zinc/67/75/17/855677517.db2.gz LGWAVFOAKGKGEN-OAHLLOKOSA-N 2 2 354.401 0.906 20 0 FCADLP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219565803 855716365 /nfs/dbraw/zinc/71/63/65/855716365.db2.gz ODMCGYNAYCAKQA-MEDUHNTESA-N 2 2 350.854 0.167 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663293 855759475 /nfs/dbraw/zinc/75/94/75/855759475.db2.gz XPKLXIMSRIUZPW-IMJJTQAJSA-N 2 2 350.463 0.084 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663293 855759481 /nfs/dbraw/zinc/75/94/81/855759481.db2.gz XPKLXIMSRIUZPW-IMJJTQAJSA-N 2 2 350.463 0.084 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1O ZINC001219731980 855790142 /nfs/dbraw/zinc/79/01/42/855790142.db2.gz LYVZAHMDCVQPLU-MJBXVCDLSA-N 2 2 358.483 0.793 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1O ZINC001219731980 855790143 /nfs/dbraw/zinc/79/01/43/855790143.db2.gz LYVZAHMDCVQPLU-MJBXVCDLSA-N 2 2 358.483 0.793 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219774697 855808100 /nfs/dbraw/zinc/80/81/00/855808100.db2.gz YUZGXDYLFNYKOR-IXDOHACOSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)C1CCCC1 ZINC001219774697 855808114 /nfs/dbraw/zinc/80/81/14/855808114.db2.gz YUZGXDYLFNYKOR-IXDOHACOSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001219774697 855808123 /nfs/dbraw/zinc/80/81/23/855808123.db2.gz YUZGXDYLFNYKOR-IXDOHACOSA-N 2 2 350.463 0.709 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001219774697 855808132 /nfs/dbraw/zinc/80/81/32/855808132.db2.gz YUZGXDYLFNYKOR-IXDOHACOSA-N 2 2 350.463 0.709 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O ZINC001219800666 855819561 /nfs/dbraw/zinc/81/95/61/855819561.db2.gz RPURSQJXOKZUFE-PMPSAXMXSA-N 2 2 355.458 0.114 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O ZINC001219800666 855819563 /nfs/dbraw/zinc/81/95/63/855819563.db2.gz RPURSQJXOKZUFE-PMPSAXMXSA-N 2 2 355.458 0.114 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904847 855873436 /nfs/dbraw/zinc/87/34/36/855873436.db2.gz MMWSDDQNHZDPRM-ZNMIVQPWSA-N 2 2 356.511 0.133 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904847 855873442 /nfs/dbraw/zinc/87/34/42/855873442.db2.gz MMWSDDQNHZDPRM-ZNMIVQPWSA-N 2 2 356.511 0.133 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904847 855873454 /nfs/dbraw/zinc/87/34/54/855873454.db2.gz MMWSDDQNHZDPRM-ZNMIVQPWSA-N 2 2 356.511 0.133 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904847 855873463 /nfs/dbraw/zinc/87/34/63/855873463.db2.gz MMWSDDQNHZDPRM-ZNMIVQPWSA-N 2 2 356.511 0.133 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908435 855875247 /nfs/dbraw/zinc/87/52/47/855875247.db2.gz GFBHFXXMUGODGN-OAGGEKHMSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908435 855875251 /nfs/dbraw/zinc/87/52/51/855875251.db2.gz GFBHFXXMUGODGN-OAGGEKHMSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908581 855875275 /nfs/dbraw/zinc/87/52/75/855875275.db2.gz LLRUVGZVLGLSHX-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908581 855875282 /nfs/dbraw/zinc/87/52/82/855875282.db2.gz LLRUVGZVLGLSHX-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC001219965601 855899710 /nfs/dbraw/zinc/89/97/10/855899710.db2.gz UHUVDCNDGCJDFK-KBXIAJHMSA-N 2 2 366.487 0.232 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](c2ccsc2)N2CCC[NH2+]CC2)C[NH2+]1 ZINC001219965056 855899950 /nfs/dbraw/zinc/89/99/50/855899950.db2.gz ATNKSTGUSXEPCC-ILXRZTDVSA-N 2 2 366.487 0.104 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)C1CCCC1 ZINC001220105985 855963615 /nfs/dbraw/zinc/96/36/15/855963615.db2.gz VMMKKJCGDWUEGV-IKGGRYGDSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)C1CCCC1 ZINC001220105985 855963619 /nfs/dbraw/zinc/96/36/19/855963619.db2.gz VMMKKJCGDWUEGV-IKGGRYGDSA-N 2 2 350.463 0.640 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119479 855970555 /nfs/dbraw/zinc/97/05/55/855970555.db2.gz OIIXOWCTVZVFQU-XQQFMLRXSA-N 2 2 367.412 0.335 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001220119479 855970557 /nfs/dbraw/zinc/97/05/57/855970557.db2.gz OIIXOWCTVZVFQU-XQQFMLRXSA-N 2 2 367.412 0.335 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001220158973 855988530 /nfs/dbraw/zinc/98/85/30/855988530.db2.gz KSBJHPKMUBQRQV-GJZGRUSLSA-N 2 2 354.495 0.329 20 0 FCADLP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189807 856000175 /nfs/dbraw/zinc/00/01/75/856000175.db2.gz WARSTQBVCQMXRP-ZJUUUORDSA-N 2 2 374.354 0.524 20 0 FCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001220256943 856032325 /nfs/dbraw/zinc/03/23/25/856032325.db2.gz JRPKPTZFBKQGPM-STQMWFEESA-N 2 2 355.508 0.946 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220342429 856075979 /nfs/dbraw/zinc/07/59/79/856075979.db2.gz BPRPJRFQDJVAAD-ILXRZTDVSA-N 2 2 356.511 0.183 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1O)[NH+](CC)CC ZINC001220342429 856075986 /nfs/dbraw/zinc/07/59/86/856075986.db2.gz BPRPJRFQDJVAAD-ILXRZTDVSA-N 2 2 356.511 0.183 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)o1 ZINC001220369844 856088703 /nfs/dbraw/zinc/08/87/03/856088703.db2.gz UMNSXRPJMDXPEH-CABCVRRESA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)o1 ZINC001220369844 856088710 /nfs/dbraw/zinc/08/87/10/856088710.db2.gz UMNSXRPJMDXPEH-CABCVRRESA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)o1 ZINC001220369844 856088717 /nfs/dbraw/zinc/08/87/17/856088717.db2.gz UMNSXRPJMDXPEH-CABCVRRESA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)o1 ZINC001220369844 856088723 /nfs/dbraw/zinc/08/87/23/856088723.db2.gz UMNSXRPJMDXPEH-CABCVRRESA-N 2 2 352.479 0.931 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444000 856127734 /nfs/dbraw/zinc/12/77/34/856127734.db2.gz DEDLLACBBSDWCK-CVEARBPZSA-N 2 2 352.479 0.840 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444000 856127736 /nfs/dbraw/zinc/12/77/36/856127736.db2.gz DEDLLACBBSDWCK-CVEARBPZSA-N 2 2 352.479 0.840 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220479022 856146815 /nfs/dbraw/zinc/14/68/15/856146815.db2.gz UXNWHOLVWJENNK-KGLIPLIRSA-N 2 2 367.412 0.459 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)CC1 ZINC001220479022 856146818 /nfs/dbraw/zinc/14/68/18/856146818.db2.gz UXNWHOLVWJENNK-KGLIPLIRSA-N 2 2 367.412 0.459 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220550090 856179424 /nfs/dbraw/zinc/17/94/24/856179424.db2.gz IRUWKOBGTGXHRX-SJORKVTESA-N 2 2 350.463 0.702 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001220550090 856179437 /nfs/dbraw/zinc/17/94/37/856179437.db2.gz IRUWKOBGTGXHRX-SJORKVTESA-N 2 2 350.463 0.702 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cs1 ZINC001220553582 856181581 /nfs/dbraw/zinc/18/15/81/856181581.db2.gz LXDZQHHOMZDPTI-CVEARBPZSA-N 2 2 353.488 0.440 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cs1 ZINC001220553582 856181587 /nfs/dbraw/zinc/18/15/87/856181587.db2.gz LXDZQHHOMZDPTI-CVEARBPZSA-N 2 2 353.488 0.440 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220578988 856192862 /nfs/dbraw/zinc/19/28/62/856192862.db2.gz ZYDWEZCDBGWPJU-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220578988 856192864 /nfs/dbraw/zinc/19/28/64/856192864.db2.gz ZYDWEZCDBGWPJU-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682198 856240585 /nfs/dbraw/zinc/24/05/85/856240585.db2.gz XKOSMQHKDRGSGG-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220682198 856240590 /nfs/dbraw/zinc/24/05/90/856240590.db2.gz XKOSMQHKDRGSGG-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220682198 856240597 /nfs/dbraw/zinc/24/05/97/856240597.db2.gz XKOSMQHKDRGSGG-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682198 856240607 /nfs/dbraw/zinc/24/06/07/856240607.db2.gz XKOSMQHKDRGSGG-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220740724 856274428 /nfs/dbraw/zinc/27/44/28/856274428.db2.gz PGHJFLBORJDWNG-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001220740724 856274443 /nfs/dbraw/zinc/27/44/43/856274443.db2.gz PGHJFLBORJDWNG-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220870200 856349738 /nfs/dbraw/zinc/34/97/38/856349738.db2.gz IXIDKORBJQNMKG-NSHDSACASA-N 3 2 353.224 0.043 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220919209 856374034 /nfs/dbraw/zinc/37/40/34/856374034.db2.gz YEWLUOVMQNYLIA-RRFJBIMHSA-N 2 2 368.275 0.720 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220919209 856374042 /nfs/dbraw/zinc/37/40/42/856374042.db2.gz YEWLUOVMQNYLIA-RRFJBIMHSA-N 2 2 368.275 0.720 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001220985885 856407894 /nfs/dbraw/zinc/40/78/94/856407894.db2.gz IURHXKDDRLGDIU-BMFZPTHFSA-N 2 2 353.488 0.378 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001220985885 856407895 /nfs/dbraw/zinc/40/78/95/856407895.db2.gz IURHXKDDRLGDIU-BMFZPTHFSA-N 2 2 353.488 0.378 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)s1 ZINC001221068476 856447667 /nfs/dbraw/zinc/44/76/67/856447667.db2.gz QDSFUWAIXBYKGH-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)s1 ZINC001221068476 856447673 /nfs/dbraw/zinc/44/76/73/856447673.db2.gz QDSFUWAIXBYKGH-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc(F)c1O ZINC001279283672 862809344 /nfs/dbraw/zinc/80/93/44/862809344.db2.gz KPDWLPWGICNYHK-GASCZTMLSA-N 2 2 353.438 0.987 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc(F)c1O ZINC001279283672 862809363 /nfs/dbraw/zinc/80/93/63/862809363.db2.gz KPDWLPWGICNYHK-GASCZTMLSA-N 2 2 353.438 0.987 20 0 FCADLP COCC[N@H+](C)[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410985 856560361 /nfs/dbraw/zinc/56/03/61/856560361.db2.gz CRCGQAOBKKFBJC-HRCADAONSA-N 3 2 354.882 0.765 20 0 FCADLP COCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1ccc(Cl)cc1 ZINC001221410985 856560363 /nfs/dbraw/zinc/56/03/63/856560363.db2.gz CRCGQAOBKKFBJC-HRCADAONSA-N 3 2 354.882 0.765 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)CCC1 ZINC001221615908 856625306 /nfs/dbraw/zinc/62/53/06/856625306.db2.gz AHDHAHIVZPILPH-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)CCC1 ZINC001221615908 856625307 /nfs/dbraw/zinc/62/53/07/856625307.db2.gz AHDHAHIVZPILPH-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627080 856627917 /nfs/dbraw/zinc/62/79/17/856627917.db2.gz DNVCRNWKUXOSHQ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627080 856627923 /nfs/dbraw/zinc/62/79/23/856627923.db2.gz DNVCRNWKUXOSHQ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627080 856627927 /nfs/dbraw/zinc/62/79/27/856627927.db2.gz DNVCRNWKUXOSHQ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221627080 856627929 /nfs/dbraw/zinc/62/79/29/856627929.db2.gz DNVCRNWKUXOSHQ-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835471 856702765 /nfs/dbraw/zinc/70/27/65/856702765.db2.gz MLYVFJDFCZCXOQ-HYVNUMGLSA-N 2 2 350.463 0.518 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835471 856702776 /nfs/dbraw/zinc/70/27/76/856702776.db2.gz MLYVFJDFCZCXOQ-HYVNUMGLSA-N 2 2 350.463 0.518 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878282 856721793 /nfs/dbraw/zinc/72/17/93/856721793.db2.gz KOYFGZRQTGBJES-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878282 856721799 /nfs/dbraw/zinc/72/17/99/856721799.db2.gz KOYFGZRQTGBJES-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889943 856724016 /nfs/dbraw/zinc/72/40/16/856724016.db2.gz WBRXFEFSLBABTG-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889943 856724020 /nfs/dbraw/zinc/72/40/20/856724020.db2.gz WBRXFEFSLBABTG-IAGOWNOFSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221973549 856754786 /nfs/dbraw/zinc/75/47/86/856754786.db2.gz CAVFVINKIOWCMR-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221973549 856754799 /nfs/dbraw/zinc/75/47/99/856754799.db2.gz CAVFVINKIOWCMR-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221973549 856754812 /nfs/dbraw/zinc/75/48/12/856754812.db2.gz CAVFVINKIOWCMR-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221973549 856754825 /nfs/dbraw/zinc/75/48/25/856754825.db2.gz CAVFVINKIOWCMR-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001222003233 856763561 /nfs/dbraw/zinc/76/35/61/856763561.db2.gz WGNMAPXXJQKXSG-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013886 856768710 /nfs/dbraw/zinc/76/87/10/856768710.db2.gz NMGCSYULDWWUPM-IXDOHACOSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013886 856768714 /nfs/dbraw/zinc/76/87/14/856768714.db2.gz NMGCSYULDWWUPM-IXDOHACOSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013886 856768719 /nfs/dbraw/zinc/76/87/19/856768719.db2.gz NMGCSYULDWWUPM-IXDOHACOSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013886 856768722 /nfs/dbraw/zinc/76/87/22/856768722.db2.gz NMGCSYULDWWUPM-IXDOHACOSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052943 856787654 /nfs/dbraw/zinc/78/76/54/856787654.db2.gz BMKYTLIEIAJWPE-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052943 856787659 /nfs/dbraw/zinc/78/76/59/856787659.db2.gz BMKYTLIEIAJWPE-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052943 856787663 /nfs/dbraw/zinc/78/76/63/856787663.db2.gz BMKYTLIEIAJWPE-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222052943 856787666 /nfs/dbraw/zinc/78/76/66/856787666.db2.gz BMKYTLIEIAJWPE-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098625 856798794 /nfs/dbraw/zinc/79/87/94/856798794.db2.gz LXQJTLULMSAOEU-IXDOHACOSA-N 2 2 350.463 0.449 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098625 856798797 /nfs/dbraw/zinc/79/87/97/856798797.db2.gz LXQJTLULMSAOEU-IXDOHACOSA-N 2 2 350.463 0.449 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001224600502 856991464 /nfs/dbraw/zinc/99/14/64/856991464.db2.gz WDQLFKCGEPGILI-HZPDHXFCSA-N 2 2 350.463 0.361 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226162111 857086775 /nfs/dbraw/zinc/08/67/75/857086775.db2.gz WQGRSVCPDNMDKL-OAGGEKHMSA-N 2 2 359.536 0.921 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001226162111 857086787 /nfs/dbraw/zinc/08/67/87/857086787.db2.gz WQGRSVCPDNMDKL-OAGGEKHMSA-N 2 2 359.536 0.921 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227175142 857147906 /nfs/dbraw/zinc/14/79/06/857147906.db2.gz HBECCLLWOUSWFG-RRFJBIMHSA-N 2 2 368.503 0.507 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001227681235 857169711 /nfs/dbraw/zinc/16/97/11/857169711.db2.gz SCLFEKZXMBXHIT-HUUCEWRRSA-N 2 2 370.519 0.804 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229300614 857264383 /nfs/dbraw/zinc/26/43/83/857264383.db2.gz DZCMWKUXYNAJQO-ZIAGYGMSSA-N 2 2 371.507 0.299 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)CS(C)(=O)=O ZINC001229327253 857265002 /nfs/dbraw/zinc/26/50/02/857265002.db2.gz KGXZWWYFXYNPSX-BFHYXJOUSA-N 2 2 356.492 0.650 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001229939471 857292805 /nfs/dbraw/zinc/29/28/05/857292805.db2.gz BJUOKHKZLQJMSF-ZIAGYGMSSA-N 2 2 356.492 0.712 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001230244015 857318011 /nfs/dbraw/zinc/31/80/11/857318011.db2.gz YYGFDSNWXJEZBH-HUUCEWRRSA-N 2 2 364.515 0.869 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001230244015 857318018 /nfs/dbraw/zinc/31/80/18/857318018.db2.gz YYGFDSNWXJEZBH-HUUCEWRRSA-N 2 2 364.515 0.869 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)Nc1nncs1 ZINC001230347972 857328053 /nfs/dbraw/zinc/32/80/53/857328053.db2.gz PJQOBAICDFGSTQ-VXGBXAGGSA-N 2 2 363.447 0.390 20 0 FCADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001231706473 857363367 /nfs/dbraw/zinc/36/33/67/857363367.db2.gz LLNVOLZAQAHNRP-LBPRGKRZSA-N 2 2 350.419 0.737 20 0 FCADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c(=O)[nH]c3=O)CC2)C1 ZINC001231706473 857363369 /nfs/dbraw/zinc/36/33/69/857363369.db2.gz LLNVOLZAQAHNRP-LBPRGKRZSA-N 2 2 350.419 0.737 20 0 FCADLP CCOC(=O)C1=C(NS(=O)(=O)CC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001238627878 857474981 /nfs/dbraw/zinc/47/49/81/857474981.db2.gz NNMQYUKVCGJQHP-UHFFFAOYSA-N 2 2 367.471 0.588 20 0 FCADLP CCOC(=O)C1=C(NS(=O)(=O)CC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001238627878 857474983 /nfs/dbraw/zinc/47/49/83/857474983.db2.gz NNMQYUKVCGJQHP-UHFFFAOYSA-N 2 2 367.471 0.588 20 0 FCADLP CCOC(=O)[C@]1(NS(=O)(=O)CC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001238658106 857477430 /nfs/dbraw/zinc/47/74/30/857477430.db2.gz DKOATRQRXLRMSE-INIZCTEOSA-N 2 2 355.460 0.072 20 0 FCADLP CCOC(=O)[C@]1(NS(=O)(=O)CC[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC001238658106 857477437 /nfs/dbraw/zinc/47/74/37/857477437.db2.gz DKOATRQRXLRMSE-INIZCTEOSA-N 2 2 355.460 0.072 20 0 FCADLP O=S(=O)(c1ccccc1)N1CCN(CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246275108 857572288 /nfs/dbraw/zinc/57/22/88/857572288.db2.gz DXTXCIASRUISGZ-MRXNPFEDSA-N 2 2 352.504 0.335 20 0 FCADLP O=C([C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246259122 857572703 /nfs/dbraw/zinc/57/27/03/857572703.db2.gz ZGDRTCMEUNUWOF-ZNMIVQPWSA-N 3 2 354.520 0.141 20 0 FCADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774359 857599858 /nfs/dbraw/zinc/59/98/58/857599858.db2.gz NBHWEUKXTHLPMR-NTDBWNAOSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774359 857599863 /nfs/dbraw/zinc/59/98/63/857599863.db2.gz NBHWEUKXTHLPMR-NTDBWNAOSA-N 2 2 351.491 0.857 20 0 FCADLP CCOC(=O)C1(N)CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC1 ZINC001246869353 857604174 /nfs/dbraw/zinc/60/41/74/857604174.db2.gz RHHGUQAHFZAVJF-HFDVOGEKSA-N 2 2 353.463 0.415 20 0 FCADLP C[NH+]1CCC(Oc2ccc(NC[C@H](O)C[NH+]3CCOCC3)nc2)CC1 ZINC001251011337 857679187 /nfs/dbraw/zinc/67/91/87/857679187.db2.gz KSXVHKNFPHMKPR-HNNXBMFYSA-N 2 2 350.463 0.660 20 0 FCADLP CCCCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252510672 857818681 /nfs/dbraw/zinc/81/86/81/857818681.db2.gz PTMSZDVENKWCSM-MRXNPFEDSA-N 2 2 352.479 0.688 20 0 FCADLP CCCCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252510672 857818688 /nfs/dbraw/zinc/81/86/88/857818688.db2.gz PTMSZDVENKWCSM-MRXNPFEDSA-N 2 2 352.479 0.688 20 0 FCADLP CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253391500 857885456 /nfs/dbraw/zinc/88/54/56/857885456.db2.gz PPKQNSBSMXRHNG-IIDMSEBBSA-N 2 2 356.511 0.630 20 0 FCADLP CN(C)C(=O)N[C@@H]1CCO[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1 ZINC001253391500 857885458 /nfs/dbraw/zinc/88/54/58/857885458.db2.gz PPKQNSBSMXRHNG-IIDMSEBBSA-N 2 2 356.511 0.630 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CC(C)(C)C[NH+](C)C)c1 ZINC001279590614 862969957 /nfs/dbraw/zinc/96/99/57/862969957.db2.gz FPYPTPMOSGEJBQ-GJZGRUSLSA-N 2 2 369.535 0.845 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CC(C)(C)C[NH+](C)C)c1 ZINC001279590614 862969967 /nfs/dbraw/zinc/96/99/67/862969967.db2.gz FPYPTPMOSGEJBQ-GJZGRUSLSA-N 2 2 369.535 0.845 20 0 FCADLP COc1cncc(OC)c1C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001279612087 862977615 /nfs/dbraw/zinc/97/76/15/862977615.db2.gz IGUHXPHABWWVQE-YJBOKZPZSA-N 2 2 350.463 0.545 20 0 FCADLP COc1cncc(OC)c1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001279612087 862977623 /nfs/dbraw/zinc/97/76/23/862977623.db2.gz IGUHXPHABWWVQE-YJBOKZPZSA-N 2 2 350.463 0.545 20 0 FCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@@H]1CCCSC1 ZINC001257668339 858156550 /nfs/dbraw/zinc/15/65/50/858156550.db2.gz PQFMCZJDWHGQKT-XBFCOCLRSA-N 2 2 351.476 0.297 20 0 FCADLP CSCC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001258211710 858183453 /nfs/dbraw/zinc/18/34/53/858183453.db2.gz LZVCECORKIEDPL-XBFCOCLRSA-N 2 2 353.492 0.543 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1F ZINC001261419923 858545175 /nfs/dbraw/zinc/54/51/75/858545175.db2.gz HIDCWADJVFNJOH-HZPDHXFCSA-N 2 2 356.486 0.868 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1F ZINC001261419923 858545178 /nfs/dbraw/zinc/54/51/78/858545178.db2.gz HIDCWADJVFNJOH-HZPDHXFCSA-N 2 2 356.486 0.868 20 0 FCADLP O=S1(=O)CCC(O)(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001261436725 858548042 /nfs/dbraw/zinc/54/80/42/858548042.db2.gz JRKXAWZRJLWHDW-CVEARBPZSA-N 2 2 360.520 0.284 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262378995 858894651 /nfs/dbraw/zinc/89/46/51/858894651.db2.gz PTVIIVJIHMSWBQ-RRFJBIMHSA-N 2 2 355.508 0.700 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262378995 858894662 /nfs/dbraw/zinc/89/46/62/858894662.db2.gz PTVIIVJIHMSWBQ-RRFJBIMHSA-N 2 2 355.508 0.700 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)CC(F)(F)F)CC[N@@H+]1C ZINC001267196019 859499003 /nfs/dbraw/zinc/49/90/03/859499003.db2.gz XFAOUXYLRGABSQ-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)CC(F)(F)F)CC[N@H+]1C ZINC001267196019 859499009 /nfs/dbraw/zinc/49/90/09/859499009.db2.gz XFAOUXYLRGABSQ-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)CC(F)(F)F)CC[NH+]1C ZINC001267196019 859499019 /nfs/dbraw/zinc/49/90/19/859499019.db2.gz XFAOUXYLRGABSQ-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)CC(F)(F)F)CC[NH+]1C ZINC001267196019 859499023 /nfs/dbraw/zinc/49/90/23/859499023.db2.gz XFAOUXYLRGABSQ-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217879 860411288 /nfs/dbraw/zinc/41/12/88/860411288.db2.gz NVDDFGBCBFEQKF-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217879 860411296 /nfs/dbraw/zinc/41/12/96/860411296.db2.gz NVDDFGBCBFEQKF-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)CC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001273217879 860411303 /nfs/dbraw/zinc/41/13/03/860411303.db2.gz NVDDFGBCBFEQKF-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)CC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001273217879 860411305 /nfs/dbraw/zinc/41/13/05/860411305.db2.gz NVDDFGBCBFEQKF-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001274408748 860745302 /nfs/dbraw/zinc/74/53/02/860745302.db2.gz PZTUICPDCOPXLZ-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001274408748 860745303 /nfs/dbraw/zinc/74/53/03/860745303.db2.gz PZTUICPDCOPXLZ-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+]1CCN(CCCN2CC3(C[NH+](CC4CCC4)C3)OCC2=O)CC1 ZINC001275148594 860957169 /nfs/dbraw/zinc/95/71/69/860957169.db2.gz MOPZLFCCTXNDFD-UHFFFAOYSA-N 2 2 350.507 0.337 20 0 FCADLP COCCOCN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555457 861126482 /nfs/dbraw/zinc/12/64/82/861126482.db2.gz BLGMHLPALBFTKJ-DLBZAZTESA-N 2 2 361.433 0.523 20 0 FCADLP COCCOCN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555457 861126498 /nfs/dbraw/zinc/12/64/98/861126498.db2.gz BLGMHLPALBFTKJ-DLBZAZTESA-N 2 2 361.433 0.523 20 0 FCADLP C[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CC(=O)C(C)(C)C)CC1 ZINC001275557545 861129277 /nfs/dbraw/zinc/12/92/77/861129277.db2.gz ZQYYRILPYVHIPC-UHFFFAOYSA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23C[NH+](Cc2ccnnc2)C3)CC1 ZINC001279858846 863101259 /nfs/dbraw/zinc/10/12/59/863101259.db2.gz ANWIHFHMTZUBHH-INIZCTEOSA-N 2 2 361.515 0.995 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280188349 863316236 /nfs/dbraw/zinc/31/62/36/863316236.db2.gz FRRANWZEZACVHF-IKGGRYGDSA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280188349 863316246 /nfs/dbraw/zinc/31/62/46/863316246.db2.gz FRRANWZEZACVHF-IKGGRYGDSA-N 2 2 351.491 0.401 20 0 FCADLP Cn1nnnc1NC(=O)[C@H]1CCSC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280257975 863364860 /nfs/dbraw/zinc/36/48/60/863364860.db2.gz YONAUPWUVRAWCP-QWHCGFSZSA-N 2 2 365.507 0.298 20 0 FCADLP Cn1nnnc1NC(=O)[C@H]1CCSC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280257975 863364868 /nfs/dbraw/zinc/36/48/68/863364868.db2.gz YONAUPWUVRAWCP-QWHCGFSZSA-N 2 2 365.507 0.298 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1CN(C)CC[NH+]1C ZINC001349466299 866348216 /nfs/dbraw/zinc/34/82/16/866348216.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H]1CN(C)CC[NH+]1C ZINC001349466299 866348230 /nfs/dbraw/zinc/34/82/30/866348230.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001349466299 866348243 /nfs/dbraw/zinc/34/82/43/866348243.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001349466299 866348251 /nfs/dbraw/zinc/34/82/51/866348251.db2.gz BPABAIJWAWAFOE-DOTOQJQBSA-N 2 2 355.527 0.109 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCOCC1 ZINC001350014291 866490906 /nfs/dbraw/zinc/49/09/06/866490906.db2.gz LOQVNZDAWPZKOX-JYJNAYRXSA-N 2 2 354.495 0.093 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001350051889 866498969 /nfs/dbraw/zinc/49/89/69/866498969.db2.gz IVPZRNVCUJAKBP-INIZCTEOSA-N 2 2 350.467 0.821 20 0 FCADLP C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001350051889 866498981 /nfs/dbraw/zinc/49/89/81/866498981.db2.gz IVPZRNVCUJAKBP-INIZCTEOSA-N 2 2 350.467 0.821 20 0 FCADLP CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001308253234 866710803 /nfs/dbraw/zinc/71/08/03/866710803.db2.gz LIHWEXXBSHVLIW-UHFFFAOYSA-N 2 2 369.516 0.601 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351786640 866969489 /nfs/dbraw/zinc/96/94/89/866969489.db2.gz GNCUKLCBYMIHFI-SZMVWBNQSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001351786640 866969499 /nfs/dbraw/zinc/96/94/99/866969499.db2.gz GNCUKLCBYMIHFI-SZMVWBNQSA-N 2 2 351.539 0.994 20 0 FCADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001353327827 867397513 /nfs/dbraw/zinc/39/75/13/867397513.db2.gz KFIPZPYGJFARAZ-KBXCAEBGSA-N 2 2 351.447 0.213 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001317446200 867530628 /nfs/dbraw/zinc/53/06/28/867530628.db2.gz YKJPHDIVCHCNKS-HZSPNIEDSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001317446200 867530636 /nfs/dbraw/zinc/53/06/36/867530636.db2.gz YKJPHDIVCHCNKS-HZSPNIEDSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001317446200 867530639 /nfs/dbraw/zinc/53/06/39/867530639.db2.gz YKJPHDIVCHCNKS-HZSPNIEDSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001317446200 867530648 /nfs/dbraw/zinc/53/06/48/867530648.db2.gz YKJPHDIVCHCNKS-HZSPNIEDSA-N 2 2 351.451 0.698 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001318385190 867655968 /nfs/dbraw/zinc/65/59/68/867655968.db2.gz XZSOBUBUZRWVPW-UHFFFAOYSA-N 2 2 371.507 0.390 20 0 FCADLP Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc[nH+]1 ZINC001356267563 867967054 /nfs/dbraw/zinc/96/70/54/867967054.db2.gz VWWUGRRWQHZMFI-RWMBFGLXSA-N 2 2 355.389 0.715 20 0 FCADLP COC(=O)C1CC[NH+](CCCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001320092611 868081237 /nfs/dbraw/zinc/08/12/37/868081237.db2.gz KQLTWWFNTMUZMJ-UHFFFAOYSA-N 2 2 352.435 0.741 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC001320215499 868109498 /nfs/dbraw/zinc/10/94/98/868109498.db2.gz LSANCPJABISAMO-UHFFFAOYSA-N 2 2 374.551 0.479 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC001320215499 868109504 /nfs/dbraw/zinc/10/95/04/868109504.db2.gz LSANCPJABISAMO-UHFFFAOYSA-N 2 2 374.551 0.479 20 0 FCADLP CN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322723829 868920682 /nfs/dbraw/zinc/92/06/82/868920682.db2.gz ILBPJSBZPPXKQK-LBPRGKRZSA-N 2 2 364.412 0.682 20 0 FCADLP CN(CCC(F)(F)F)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322723829 868920695 /nfs/dbraw/zinc/92/06/95/868920695.db2.gz ILBPJSBZPPXKQK-LBPRGKRZSA-N 2 2 364.412 0.682 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326551796 870379255 /nfs/dbraw/zinc/37/92/55/870379255.db2.gz LHOLFKZJIBVWFY-GOEBONIOSA-N 2 2 354.470 0.574 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326551796 870379270 /nfs/dbraw/zinc/37/92/70/870379270.db2.gz LHOLFKZJIBVWFY-GOEBONIOSA-N 2 2 354.470 0.574 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3SCCS3)C2)CC1 ZINC001327988512 871171474 /nfs/dbraw/zinc/17/14/74/871171474.db2.gz QQGLHRXZVOULDD-LBPRGKRZSA-N 2 2 372.560 0.193 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3SCCS3)C2)CC1 ZINC001327988512 871171477 /nfs/dbraw/zinc/17/14/77/871171477.db2.gz QQGLHRXZVOULDD-LBPRGKRZSA-N 2 2 372.560 0.193 20 0 FCADLP COCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001345706620 871466245 /nfs/dbraw/zinc/46/62/45/871466245.db2.gz PTYYQMZKKRHCLR-OAHLLOKOSA-N 2 2 352.483 0.460 20 0 FCADLP COCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001345706620 871466253 /nfs/dbraw/zinc/46/62/53/871466253.db2.gz PTYYQMZKKRHCLR-OAHLLOKOSA-N 2 2 352.483 0.460 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CC1(C)C ZINC001328520505 871478778 /nfs/dbraw/zinc/47/87/78/871478778.db2.gz ZZDXFVJTDGQLDE-HNNXBMFYSA-N 2 2 352.523 0.975 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CC1(C)C ZINC001328520505 871478805 /nfs/dbraw/zinc/47/88/05/871478805.db2.gz ZZDXFVJTDGQLDE-HNNXBMFYSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056817 872138588 /nfs/dbraw/zinc/13/85/88/872138588.db2.gz TZSCJZJRMILKDF-NVXWUHKLSA-N 2 2 363.531 0.996 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056817 872138594 /nfs/dbraw/zinc/13/85/94/872138594.db2.gz TZSCJZJRMILKDF-NVXWUHKLSA-N 2 2 363.531 0.996 20 0 FCADLP CCOC(=O)C1(S(=O)(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CCC1 ZINC001329754005 872230616 /nfs/dbraw/zinc/23/06/16/872230616.db2.gz HQHCBOGHJUWCJF-CQSZACIVSA-N 2 2 359.492 0.299 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC001329813092 872277977 /nfs/dbraw/zinc/27/79/77/872277977.db2.gz XLRVDVHAYWNISW-ZDUSSCGKSA-N 2 2 358.433 0.529 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC001329813092 872277991 /nfs/dbraw/zinc/27/79/91/872277991.db2.gz XLRVDVHAYWNISW-ZDUSSCGKSA-N 2 2 358.433 0.529 20 0 FCADLP CC(=O)NC1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001348841275 872809609 /nfs/dbraw/zinc/80/96/09/872809609.db2.gz FYLSBCRULRXYSD-OFLPRAFFSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)NC1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001348841275 872809626 /nfs/dbraw/zinc/80/96/26/872809626.db2.gz FYLSBCRULRXYSD-OFLPRAFFSA-N 2 2 350.507 0.966 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001331121115 872968647 /nfs/dbraw/zinc/96/86/47/872968647.db2.gz YNRAJFHQPCNUQX-OAGGEKHMSA-N 2 2 352.479 0.086 20 0 FCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001331623047 873166604 /nfs/dbraw/zinc/16/66/04/873166604.db2.gz AVFLIVXEZBKKMV-HLLBOEOZSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001331623047 873166611 /nfs/dbraw/zinc/16/66/11/873166611.db2.gz AVFLIVXEZBKKMV-HLLBOEOZSA-N 2 2 350.507 0.822 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001333178667 873839017 /nfs/dbraw/zinc/83/90/17/873839017.db2.gz SRBPWBJZFRHEEI-QWHCGFSZSA-N 2 2 359.517 0.763 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC001333421943 873948321 /nfs/dbraw/zinc/94/83/21/873948321.db2.gz FFZWMNZOABAWKG-ZDUSSCGKSA-N 2 2 354.401 0.602 20 0 FCADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)N(C)C ZINC000826231951 947680183 /nfs/dbraw/zinc/68/01/83/947680183.db2.gz UJDRBDQIUXZTPA-CYBMUJFWSA-N 2 2 357.462 0.897 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574941195 949292742 /nfs/dbraw/zinc/29/27/42/949292742.db2.gz BPKOODILCTZNLX-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574941195 949292754 /nfs/dbraw/zinc/29/27/54/949292754.db2.gz BPKOODILCTZNLX-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574941251 949302210 /nfs/dbraw/zinc/30/22/10/949302210.db2.gz CFIDNWJGBSSJHM-NSHDSACASA-N 2 2 374.474 0.841 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574941251 949302234 /nfs/dbraw/zinc/30/22/34/949302234.db2.gz CFIDNWJGBSSJHM-NSHDSACASA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574944369 949389812 /nfs/dbraw/zinc/38/98/12/949389812.db2.gz BWIQVCGZUBVMSN-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574944369 949389832 /nfs/dbraw/zinc/38/98/32/949389832.db2.gz BWIQVCGZUBVMSN-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574733073 950091329 /nfs/dbraw/zinc/09/13/29/950091329.db2.gz RKCWEUBMVYXWFB-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574733169 950102726 /nfs/dbraw/zinc/10/27/26/950102726.db2.gz UROGVTAPSQBSPW-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575906640 950317504 /nfs/dbraw/zinc/31/75/04/950317504.db2.gz KCPFTQWFRGQOCB-CZUORRHYSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575911704 950450738 /nfs/dbraw/zinc/45/07/38/950450738.db2.gz PKBJYSKGQKAXAD-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206034 950554251 /nfs/dbraw/zinc/55/42/51/950554251.db2.gz SWZOKNGISNVUBS-AWEZNQCLSA-N 2 2 372.477 0.580 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981227 950579367 /nfs/dbraw/zinc/57/93/67/950579367.db2.gz HEUMWQFPBDVCHB-OLZOCXBDSA-N 2 2 356.434 0.298 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001570981227 950579378 /nfs/dbraw/zinc/57/93/78/950579378.db2.gz HEUMWQFPBDVCHB-OLZOCXBDSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001570981732 950613977 /nfs/dbraw/zinc/61/39/77/950613977.db2.gz SWYULWUPRYHSTC-OAHLLOKOSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001570981732 950613992 /nfs/dbraw/zinc/61/39/92/950613992.db2.gz SWYULWUPRYHSTC-OAHLLOKOSA-N 2 2 356.434 0.441 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576213676 950640017 /nfs/dbraw/zinc/64/00/17/950640017.db2.gz GDIUWAVDWPRDMT-OKILXGFUSA-N 2 2 370.461 0.475 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571027060 951487640 /nfs/dbraw/zinc/48/76/40/951487640.db2.gz FRGFKUUNUUCPGI-INIZCTEOSA-N 2 2 366.429 0.913 20 0 FCADLP Cc1cc(N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571037197 951620720 /nfs/dbraw/zinc/62/07/20/951620720.db2.gz HEKNWXQIERJCKB-ZDUSSCGKSA-N 2 2 367.417 0.573 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575100203 951845567 /nfs/dbraw/zinc/84/55/67/951845567.db2.gz SAPNPDBJCKAFBP-LLVKDONJSA-N 2 2 374.474 0.746 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]([NH3+])CCC(=O)[O-] ZINC001598585316 993373161 /nfs/dbraw/zinc/37/31/61/993373161.db2.gz QEURAAUUWWUNGB-QGZVFWFLSA-N 2 2 368.522 0.833 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266024803 210268026 /nfs/dbraw/zinc/26/80/26/210268026.db2.gz PYSSFIBOEQNPHD-HOTGVXAUSA-N 2 2 373.453 0.298 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266024803 210268030 /nfs/dbraw/zinc/26/80/30/210268030.db2.gz PYSSFIBOEQNPHD-HOTGVXAUSA-N 2 2 373.453 0.298 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCn2c[nH+]cc2C1 ZINC000292192887 214083776 /nfs/dbraw/zinc/08/37/76/214083776.db2.gz BYXLCBVAJCEXQF-UHFFFAOYSA-N 2 2 370.461 0.411 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000292417981 214100067 /nfs/dbraw/zinc/10/00/67/214100067.db2.gz HSFIHSRIVYJZQY-RHSMWYFYSA-N 2 2 362.478 0.382 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000292417981 214100075 /nfs/dbraw/zinc/10/00/75/214100075.db2.gz HSFIHSRIVYJZQY-RHSMWYFYSA-N 2 2 362.478 0.382 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CC(N)=O)c3ccccc3)cn2)CC1 ZINC000293043524 214140822 /nfs/dbraw/zinc/14/08/22/214140822.db2.gz QXMPYFLQIZDXBT-QGZVFWFLSA-N 2 2 354.458 0.935 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cn2cc[nH+]c12 ZINC000293207340 214155158 /nfs/dbraw/zinc/15/51/58/214155158.db2.gz WQYQLKKOUDNPAM-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)cn2cc[nH+]c12 ZINC000293207340 214155160 /nfs/dbraw/zinc/15/51/60/214155160.db2.gz WQYQLKKOUDNPAM-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP C[C@@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+](C)C ZINC000293631225 214189114 /nfs/dbraw/zinc/18/91/14/214189114.db2.gz CTMGFMMXPNFQAH-INIZCTEOSA-N 2 2 361.490 0.824 20 0 FCADLP COC(=O)C1CC[NH+](CCCNc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000294502452 214249406 /nfs/dbraw/zinc/24/94/06/214249406.db2.gz SUTTUQSCFGQBGN-ZDUSSCGKSA-N 2 2 351.451 0.956 20 0 FCADLP COC(=O)C1CC[NH+](CCCNc2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000294502452 214249411 /nfs/dbraw/zinc/24/94/11/214249411.db2.gz SUTTUQSCFGQBGN-ZDUSSCGKSA-N 2 2 351.451 0.956 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NCC[NH+]2CCC(O)CC2)c2ccccc2)CC1 ZINC000296978175 214372263 /nfs/dbraw/zinc/37/22/63/214372263.db2.gz PAPHIOZYOPWLKC-LJQANCHMSA-N 2 2 360.502 0.548 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)Cn1cc[nH+]c1C)C(=O)NCC[NH+]1CCOCC1 ZINC000297392965 214396043 /nfs/dbraw/zinc/39/60/43/214396043.db2.gz KNCSQVGUODDKOG-PBHICJAKSA-N 2 2 365.478 0.171 20 0 FCADLP C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000301060774 214748301 /nfs/dbraw/zinc/74/83/01/214748301.db2.gz KYHPZMGPJIRPBT-UHFFFAOYSA-N 2 2 353.492 0.524 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000297680792 214427016 /nfs/dbraw/zinc/42/70/16/214427016.db2.gz DKIXMKPVMWZXDR-UHFFFAOYSA-N 2 2 364.465 0.880 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000297680792 214427019 /nfs/dbraw/zinc/42/70/19/214427019.db2.gz DKIXMKPVMWZXDR-UHFFFAOYSA-N 2 2 364.465 0.880 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000410884604 529696721 /nfs/dbraw/zinc/69/67/21/529696721.db2.gz CKLJKRJDCXFNRU-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP Cn1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C(F)F)n1 ZINC000291008347 214008906 /nfs/dbraw/zinc/00/89/06/214008906.db2.gz DOWUWPHCINWANH-ZDUSSCGKSA-N 2 2 357.405 0.380 20 0 FCADLP CNC(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000412056340 529882848 /nfs/dbraw/zinc/88/28/48/529882848.db2.gz SLLABUJBXIHIKN-HNNXBMFYSA-N 2 2 374.489 0.512 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331576789 215017672 /nfs/dbraw/zinc/01/76/72/215017672.db2.gz MCQNYMROSLAHSN-LUKYLMHMSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331576789 215017676 /nfs/dbraw/zinc/01/76/76/215017676.db2.gz MCQNYMROSLAHSN-LUKYLMHMSA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331678808 215032752 /nfs/dbraw/zinc/03/27/52/215032752.db2.gz QAOMIARGKHKHNO-CVEARBPZSA-N 2 2 364.515 0.897 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000331765582 215044408 /nfs/dbraw/zinc/04/44/08/215044408.db2.gz CQTQQBXSCINMIX-SOLBZPMBSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000331765582 215044411 /nfs/dbraw/zinc/04/44/11/215044411.db2.gz CQTQQBXSCINMIX-SOLBZPMBSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000331765579 215044666 /nfs/dbraw/zinc/04/46/66/215044666.db2.gz CQTQQBXSCINMIX-NUJGCVRESA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000331765579 215044669 /nfs/dbraw/zinc/04/46/69/215044669.db2.gz CQTQQBXSCINMIX-NUJGCVRESA-N 2 2 358.486 0.581 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870141 215059926 /nfs/dbraw/zinc/05/99/26/215059926.db2.gz ZJQHODZTTHETQP-DLBZAZTESA-N 2 2 359.536 0.987 20 0 FCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870141 215059928 /nfs/dbraw/zinc/05/99/28/215059928.db2.gz ZJQHODZTTHETQP-DLBZAZTESA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870141 215059932 /nfs/dbraw/zinc/05/99/32/215059932.db2.gz ZJQHODZTTHETQP-DLBZAZTESA-N 2 2 359.536 0.987 20 0 FCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000331870141 215059934 /nfs/dbraw/zinc/05/99/34/215059934.db2.gz ZJQHODZTTHETQP-DLBZAZTESA-N 2 2 359.536 0.987 20 0 FCADLP O=C(CC[N@H+]1CCSC[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332077326 215087468 /nfs/dbraw/zinc/08/74/68/215087468.db2.gz GUQHDIPIFBLDIC-HNNXBMFYSA-N 2 2 350.488 0.530 20 0 FCADLP O=C(CC[N@@H+]1CCSC[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000332077326 215087472 /nfs/dbraw/zinc/08/74/72/215087472.db2.gz GUQHDIPIFBLDIC-HNNXBMFYSA-N 2 2 350.488 0.530 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000332510735 215165235 /nfs/dbraw/zinc/16/52/35/215165235.db2.gz DMFKSEXBNKYZRD-PMPSAXMXSA-N 2 2 359.474 0.496 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000332518250 215165626 /nfs/dbraw/zinc/16/56/26/215165626.db2.gz IRPSTKBPNZEYCU-CABCVRRESA-N 2 2 360.458 0.969 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)c1 ZINC000332524632 215167183 /nfs/dbraw/zinc/16/71/83/215167183.db2.gz MECHHMYXQJRCSE-DLBZAZTESA-N 2 2 358.486 0.848 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)c1 ZINC000332524634 215168164 /nfs/dbraw/zinc/16/81/64/215168164.db2.gz MECHHMYXQJRCSE-IRXDYDNUSA-N 2 2 358.486 0.848 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)N1CC[NH+](C)CC1 ZINC000332542691 215174874 /nfs/dbraw/zinc/17/48/74/215174874.db2.gz XZOWJHUXAZJEJN-MRXNPFEDSA-N 2 2 373.501 0.066 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332551515 215176642 /nfs/dbraw/zinc/17/66/42/215176642.db2.gz PVEITUIAKMCWSF-KRWDZBQOSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000332551515 215176645 /nfs/dbraw/zinc/17/66/45/215176645.db2.gz PVEITUIAKMCWSF-KRWDZBQOSA-N 2 2 366.506 0.108 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333054007 215229391 /nfs/dbraw/zinc/22/93/91/215229391.db2.gz QZQFGJYTJNJPJC-IAGOWNOFSA-N 2 2 366.506 0.528 20 0 FCADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000333189258 215247941 /nfs/dbraw/zinc/24/79/41/215247941.db2.gz VEXWFRPAQSSVRH-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000333189258 215247945 /nfs/dbraw/zinc/24/79/45/215247945.db2.gz VEXWFRPAQSSVRH-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214700 215251655 /nfs/dbraw/zinc/25/16/55/215251655.db2.gz CGMQWCLJQRTPNJ-UMVBOHGHSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214700 215251658 /nfs/dbraw/zinc/25/16/58/215251658.db2.gz CGMQWCLJQRTPNJ-UMVBOHGHSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214700 215251662 /nfs/dbraw/zinc/25/16/62/215251662.db2.gz CGMQWCLJQRTPNJ-UMVBOHGHSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000333297602 215260536 /nfs/dbraw/zinc/26/05/36/215260536.db2.gz SIJXWKUFOTWONZ-HIFRSBDPSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C1=CC[NH+](C)CC1 ZINC000333297602 215260539 /nfs/dbraw/zinc/26/05/39/215260539.db2.gz SIJXWKUFOTWONZ-HIFRSBDPSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1)C1=CC[N@H+](C)CC1 ZINC000333297602 215260541 /nfs/dbraw/zinc/26/05/41/215260541.db2.gz SIJXWKUFOTWONZ-HIFRSBDPSA-N 2 2 353.467 0.514 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)CC(N)=O)C1)C1=CC[N@@H+](C)CC1 ZINC000333297602 215260545 /nfs/dbraw/zinc/26/05/45/215260545.db2.gz SIJXWKUFOTWONZ-HIFRSBDPSA-N 2 2 353.467 0.514 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000333307326 215261407 /nfs/dbraw/zinc/26/14/07/215261407.db2.gz IOUWIACWGWWMMX-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000333307326 215261410 /nfs/dbraw/zinc/26/14/10/215261410.db2.gz IOUWIACWGWWMMX-KRWDZBQOSA-N 2 2 350.507 0.921 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000333492686 215288223 /nfs/dbraw/zinc/28/82/23/215288223.db2.gz VCYJGKJPDWIDRK-HOTGVXAUSA-N 2 2 374.489 0.709 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000333488116 215288275 /nfs/dbraw/zinc/28/82/75/215288275.db2.gz CDESMZNWRGGLNV-WMTDPASSSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333494032 215288591 /nfs/dbraw/zinc/28/85/91/215288591.db2.gz DPLPRQBLUGRAJD-HOTGVXAUSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333796076 215320123 /nfs/dbraw/zinc/32/01/23/215320123.db2.gz HAIOYJVNBJNJNX-IRXDYDNUSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000333835771 215323648 /nfs/dbraw/zinc/32/36/48/215323648.db2.gz NKYDVDGNLQHMMN-CVEARBPZSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333851181 215324963 /nfs/dbraw/zinc/32/49/63/215324963.db2.gz QBBTZRLBSMHRMY-XHSDSOJGSA-N 2 2 351.495 0.465 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000285787191 213395807 /nfs/dbraw/zinc/39/58/07/213395807.db2.gz CJQUQGOPEHWZEJ-AWEZNQCLSA-N 2 2 363.462 0.757 20 0 FCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000285717587 213383149 /nfs/dbraw/zinc/38/31/49/213383149.db2.gz DXSZAPDGOQTTSW-UHFFFAOYSA-N 2 2 351.447 0.966 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCNC1=O ZINC000285631970 213370594 /nfs/dbraw/zinc/37/05/94/213370594.db2.gz CXFNAUZOCSEYEU-SFHVURJKSA-N 2 2 371.485 0.430 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCNC1=O ZINC000285631970 213370598 /nfs/dbraw/zinc/37/05/98/213370598.db2.gz CXFNAUZOCSEYEU-SFHVURJKSA-N 2 2 371.485 0.430 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285545931 213356563 /nfs/dbraw/zinc/35/65/63/213356563.db2.gz IFEONXSMHZRTJB-WMLDXEAASA-N 2 2 371.485 0.897 20 0 FCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451057 213343454 /nfs/dbraw/zinc/34/34/54/213343454.db2.gz GIJIWNCADUTKKV-HXUWFJFHSA-N 2 2 356.470 0.543 20 0 FCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451057 213343458 /nfs/dbraw/zinc/34/34/58/213343458.db2.gz GIJIWNCADUTKKV-HXUWFJFHSA-N 2 2 356.470 0.543 20 0 FCADLP O=C(C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451057 213343461 /nfs/dbraw/zinc/34/34/61/213343461.db2.gz GIJIWNCADUTKKV-HXUWFJFHSA-N 2 2 356.470 0.543 20 0 FCADLP O=C(C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCNC(=O)C1 ZINC000285451057 213343466 /nfs/dbraw/zinc/34/34/66/213343466.db2.gz GIJIWNCADUTKKV-HXUWFJFHSA-N 2 2 356.470 0.543 20 0 FCADLP C[N@H+](CCNS(C)(=O)=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285332477 213325337 /nfs/dbraw/zinc/32/53/37/213325337.db2.gz BXYVVXRNLJFEAE-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP C[N@@H+](CCNS(C)(=O)=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285332477 213325340 /nfs/dbraw/zinc/32/53/40/213325340.db2.gz BXYVVXRNLJFEAE-UHFFFAOYSA-N 2 2 354.520 0.285 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2sccc2C1 ZINC000285272149 213314894 /nfs/dbraw/zinc/31/48/94/213314894.db2.gz PTPPURVUQFCBRE-LBPRGKRZSA-N 2 2 361.471 0.661 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2sccc2C1 ZINC000285272149 213314889 /nfs/dbraw/zinc/31/48/89/213314889.db2.gz PTPPURVUQFCBRE-LBPRGKRZSA-N 2 2 361.471 0.661 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCCNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000285259188 213311712 /nfs/dbraw/zinc/31/17/12/213311712.db2.gz QHZXGINEBXLEOL-OAHLLOKOSA-N 2 2 363.462 0.084 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000285154010 213294188 /nfs/dbraw/zinc/29/41/88/213294188.db2.gz MHEGUGBKTZYFHZ-MRXNPFEDSA-N 2 2 359.474 0.944 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137455 213291568 /nfs/dbraw/zinc/29/15/68/213291568.db2.gz SAUKRKQSVUIHAA-SJORKVTESA-N 2 2 373.501 0.967 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137455 213291570 /nfs/dbraw/zinc/29/15/70/213291570.db2.gz SAUKRKQSVUIHAA-SJORKVTESA-N 2 2 373.501 0.967 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000285084410 213279922 /nfs/dbraw/zinc/27/99/22/213279922.db2.gz JSLHNXKQAZYFND-AWEZNQCLSA-N 2 2 355.442 0.859 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000285084410 213279924 /nfs/dbraw/zinc/27/99/24/213279924.db2.gz JSLHNXKQAZYFND-AWEZNQCLSA-N 2 2 355.442 0.859 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000284809277 213226622 /nfs/dbraw/zinc/22/66/22/213226622.db2.gz LLYDHURCICLJPN-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540430 213165345 /nfs/dbraw/zinc/16/53/45/213165345.db2.gz SIPCVESGMQOZKU-RHSMWYFYSA-N 2 2 371.485 0.897 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284540430 213165350 /nfs/dbraw/zinc/16/53/50/213165350.db2.gz SIPCVESGMQOZKU-RHSMWYFYSA-N 2 2 371.485 0.897 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284215118 213099365 /nfs/dbraw/zinc/09/93/65/213099365.db2.gz ZMZCWWDWQLLTJV-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000284225393 213100155 /nfs/dbraw/zinc/10/01/55/213100155.db2.gz JZLAYCPKQUJLEM-CQSZACIVSA-N 2 2 365.478 0.001 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000284225393 213100156 /nfs/dbraw/zinc/10/01/56/213100156.db2.gz JZLAYCPKQUJLEM-CQSZACIVSA-N 2 2 365.478 0.001 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccccc1F ZINC000284181473 213092510 /nfs/dbraw/zinc/09/25/10/213092510.db2.gz VMOHEFSQWBSAHG-UHFFFAOYSA-N 2 2 364.465 0.926 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccccc1F ZINC000284181473 213092513 /nfs/dbraw/zinc/09/25/13/213092513.db2.gz VMOHEFSQWBSAHG-UHFFFAOYSA-N 2 2 364.465 0.926 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000284162232 213088994 /nfs/dbraw/zinc/08/89/94/213088994.db2.gz ZNXYKJIYPYBFNS-CABCVRRESA-N 2 2 359.430 0.934 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000284071482 213068848 /nfs/dbraw/zinc/06/88/48/213068848.db2.gz SYSQAHVQJOFBKE-CQSZACIVSA-N 2 2 359.430 0.035 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000284076178 213068369 /nfs/dbraw/zinc/06/83/69/213068369.db2.gz UXRZSIKAJQNLLG-HOTGVXAUSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000284076178 213068373 /nfs/dbraw/zinc/06/83/73/213068373.db2.gz UXRZSIKAJQNLLG-HOTGVXAUSA-N 2 2 369.469 0.951 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)NCCn3cc[nH+]c3)CC2)nc(C)[nH+]1 ZINC000284003860 213054079 /nfs/dbraw/zinc/05/40/79/213054079.db2.gz PDTGVHHPUCXDST-UHFFFAOYSA-N 2 2 371.445 0.191 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000284001015 213052333 /nfs/dbraw/zinc/05/23/33/213052333.db2.gz NPQFREXZCOINRU-INIZCTEOSA-N 2 2 369.469 0.937 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000283951848 213041534 /nfs/dbraw/zinc/04/15/34/213041534.db2.gz MWTNVIQSBQDVSZ-ZIAGYGMSSA-N 2 2 351.451 0.003 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000283933124 213037322 /nfs/dbraw/zinc/03/73/22/213037322.db2.gz NIDRPYTWHLBWPO-BBRMVZONSA-N 2 2 361.421 0.946 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000283878730 213025511 /nfs/dbraw/zinc/02/55/11/213025511.db2.gz CNWCAYFWFZEACS-KBPBESRZSA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000283878730 213025514 /nfs/dbraw/zinc/02/55/14/213025514.db2.gz CNWCAYFWFZEACS-KBPBESRZSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000283854709 213020706 /nfs/dbraw/zinc/02/07/06/213020706.db2.gz MOGOHFJPXQNXHK-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000365054005 215769758 /nfs/dbraw/zinc/76/97/58/215769758.db2.gz PIPAMBLEJDDSIN-INIZCTEOSA-N 2 2 366.506 0.651 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000283786701 213008288 /nfs/dbraw/zinc/00/82/88/213008288.db2.gz GEBCVAOEADIDCA-JKSUJKDBSA-N 2 2 365.478 0.347 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000283786701 213008292 /nfs/dbraw/zinc/00/82/92/213008292.db2.gz GEBCVAOEADIDCA-JKSUJKDBSA-N 2 2 365.478 0.347 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000283768361 213006679 /nfs/dbraw/zinc/00/66/79/213006679.db2.gz CMSXRGGBNPNOBR-CQSZACIVSA-N 2 2 356.430 0.699 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCCC1 ZINC000283775401 213005442 /nfs/dbraw/zinc/00/54/42/213005442.db2.gz BTCAWBLHVQOXJN-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1C ZINC000366838534 216040863 /nfs/dbraw/zinc/04/08/63/216040863.db2.gz GTTBXDKDAIEARL-NXOAAHMSSA-N 2 2 367.490 0.487 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865642 216042726 /nfs/dbraw/zinc/04/27/26/216042726.db2.gz DFEMOIRADQXKJI-LSDHHAIUSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865642 216042730 /nfs/dbraw/zinc/04/27/30/216042730.db2.gz DFEMOIRADQXKJI-LSDHHAIUSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000366857639 216042853 /nfs/dbraw/zinc/04/28/53/216042853.db2.gz XFDKBLFKWSBNKO-GPMSIDNRSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000366857639 216042857 /nfs/dbraw/zinc/04/28/57/216042857.db2.gz XFDKBLFKWSBNKO-GPMSIDNRSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865641 216043872 /nfs/dbraw/zinc/04/38/72/216043872.db2.gz DFEMOIRADQXKJI-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865641 216043876 /nfs/dbraw/zinc/04/38/76/216043876.db2.gz DFEMOIRADQXKJI-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885891 216046008 /nfs/dbraw/zinc/04/60/08/216046008.db2.gz QBHZMZKHKSRZMW-CVEARBPZSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885891 216046010 /nfs/dbraw/zinc/04/60/10/216046010.db2.gz QBHZMZKHKSRZMW-CVEARBPZSA-N 2 2 371.547 0.828 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000367318780 216106820 /nfs/dbraw/zinc/10/68/20/216106820.db2.gz RXZJXYLTFMVUCV-MRXNPFEDSA-N 2 2 365.474 0.906 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1C ZINC000367317254 216106879 /nfs/dbraw/zinc/10/68/79/216106879.db2.gz JFPBTOZMXLOBCP-INIZCTEOSA-N 2 2 350.463 0.308 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367806828 216164213 /nfs/dbraw/zinc/16/42/13/216164213.db2.gz QYJPZKOEZPZLBT-WCXIOVBPSA-N 2 2 352.479 0.354 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367806828 216164216 /nfs/dbraw/zinc/16/42/16/216164216.db2.gz QYJPZKOEZPZLBT-WCXIOVBPSA-N 2 2 352.479 0.354 20 0 FCADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000246324451 209385138 /nfs/dbraw/zinc/38/51/38/209385138.db2.gz ATDBWYNWZUHBPA-JKSUJKDBSA-N 2 2 359.536 0.843 20 0 FCADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000246324451 209385141 /nfs/dbraw/zinc/38/51/41/209385141.db2.gz ATDBWYNWZUHBPA-JKSUJKDBSA-N 2 2 359.536 0.843 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000246649437 209395471 /nfs/dbraw/zinc/39/54/71/209395471.db2.gz IMSCSESMQMFCPZ-AEFFLSMTSA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000246649437 209395475 /nfs/dbraw/zinc/39/54/75/209395475.db2.gz IMSCSESMQMFCPZ-AEFFLSMTSA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000246555169 209392698 /nfs/dbraw/zinc/39/26/98/209392698.db2.gz DSFRUMDDXDJSFB-ROUUACIJSA-N 2 2 352.523 0.583 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000246555169 209392700 /nfs/dbraw/zinc/39/27/00/209392700.db2.gz DSFRUMDDXDJSFB-ROUUACIJSA-N 2 2 352.523 0.583 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000246476910 209390574 /nfs/dbraw/zinc/39/05/74/209390574.db2.gz OZLGCFONTQMVCC-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246410993 209387431 /nfs/dbraw/zinc/38/74/31/209387431.db2.gz BMQMQCGGNYEUEH-OFQRWUPVSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410993 209387433 /nfs/dbraw/zinc/38/74/33/209387433.db2.gz BMQMQCGGNYEUEH-OFQRWUPVSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410993 209387436 /nfs/dbraw/zinc/38/74/36/209387436.db2.gz BMQMQCGGNYEUEH-OFQRWUPVSA-N 2 2 352.479 0.796 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000246469203 209386518 /nfs/dbraw/zinc/38/65/18/209386518.db2.gz VILQZEXGZICRLG-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000246469203 209386520 /nfs/dbraw/zinc/38/65/20/209386520.db2.gz VILQZEXGZICRLG-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000246186486 209380937 /nfs/dbraw/zinc/38/09/37/209380937.db2.gz VMHRSXWXCROZOR-JKSUJKDBSA-N 2 2 360.506 0.956 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CC1 ZINC000246186486 209380934 /nfs/dbraw/zinc/38/09/34/209380934.db2.gz VMHRSXWXCROZOR-JKSUJKDBSA-N 2 2 360.506 0.956 20 0 FCADLP C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246145028 209379562 /nfs/dbraw/zinc/37/95/62/209379562.db2.gz OFDWOZRDOMUSLL-NCOADZHNSA-N 2 2 354.495 0.458 20 0 FCADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000237924737 209361543 /nfs/dbraw/zinc/36/15/43/209361543.db2.gz HRAKXSMXPHBTCF-INIZCTEOSA-N 2 2 353.850 0.851 20 0 FCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000237894639 209360041 /nfs/dbraw/zinc/36/00/41/209360041.db2.gz MKKYEJXHMUDNSP-SFHVURJKSA-N 2 2 374.485 0.974 20 0 FCADLP C[C@]1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000237605727 209355835 /nfs/dbraw/zinc/35/58/35/209355835.db2.gz JGFVKLPSVUQELA-IBGZPJMESA-N 2 2 360.458 0.687 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237416762 209352250 /nfs/dbraw/zinc/35/22/50/209352250.db2.gz QDJMBVLTURJJLC-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP Cn1cc([C@H]2C[N@H+](CCn3ccnc3)CCN2CCn2cc[nH+]c2)cn1 ZINC000368267312 216225347 /nfs/dbraw/zinc/22/53/47/216225347.db2.gz ZSLAPZXMCGAGKO-GOSISDBHSA-N 2 2 354.462 0.872 20 0 FCADLP Cn1cc([C@H]2C[N@@H+](CCn3ccnc3)CCN2CCn2cc[nH+]c2)cn1 ZINC000368267312 216225348 /nfs/dbraw/zinc/22/53/48/216225348.db2.gz ZSLAPZXMCGAGKO-GOSISDBHSA-N 2 2 354.462 0.872 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237323301 209351439 /nfs/dbraw/zinc/35/14/39/209351439.db2.gz WVMNUNOBVKXKSX-IAGOWNOFSA-N 2 2 367.515 0.919 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237323301 209351441 /nfs/dbraw/zinc/35/14/41/209351441.db2.gz WVMNUNOBVKXKSX-IAGOWNOFSA-N 2 2 367.515 0.919 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000237228427 209348768 /nfs/dbraw/zinc/34/87/68/209348768.db2.gz SVVVVQBCODYIAG-UONOGXRCSA-N 2 2 366.487 0.689 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C(=O)NCC[C@@H]3C)CC2)cc1 ZINC000193612971 209315075 /nfs/dbraw/zinc/31/50/75/209315075.db2.gz DRQINUVIATYNGD-HNAYVOBHSA-N 2 2 374.485 0.454 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000192760608 209305812 /nfs/dbraw/zinc/30/58/12/209305812.db2.gz CLBBTGJJOZEKHM-LJQANCHMSA-N 3 2 365.566 0.641 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000192760608 209305808 /nfs/dbraw/zinc/30/58/08/209305808.db2.gz CLBBTGJJOZEKHM-LJQANCHMSA-N 2 2 365.566 0.641 20 0 FCADLP C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000368634397 216272842 /nfs/dbraw/zinc/27/28/42/216272842.db2.gz UXMGCQSOVRHKLL-HZPDHXFCSA-N 2 2 356.492 0.818 20 0 FCADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)n(C)c1=O ZINC000192356031 209299822 /nfs/dbraw/zinc/29/98/22/209299822.db2.gz BICLNYIPRDJZPG-SFHVURJKSA-N 2 2 372.469 0.465 20 0 FCADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)n(C)c1=O ZINC000192356031 209299823 /nfs/dbraw/zinc/29/98/23/209299823.db2.gz BICLNYIPRDJZPG-SFHVURJKSA-N 2 2 372.469 0.465 20 0 FCADLP CN(C)c1noc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000368798651 216297215 /nfs/dbraw/zinc/29/72/15/216297215.db2.gz SACPGPALAHEAFS-CYBMUJFWSA-N 2 2 350.467 0.353 20 0 FCADLP CN(C)c1noc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000368798651 216297217 /nfs/dbraw/zinc/29/72/17/216297217.db2.gz SACPGPALAHEAFS-CYBMUJFWSA-N 2 2 350.467 0.353 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000368950304 216323075 /nfs/dbraw/zinc/32/30/75/216323075.db2.gz LWDSKUPESURAFL-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000368950304 216323079 /nfs/dbraw/zinc/32/30/79/216323079.db2.gz LWDSKUPESURAFL-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369011384 216331866 /nfs/dbraw/zinc/33/18/66/216331866.db2.gz GLCMCMXGBCVGPI-KRWDZBQOSA-N 2 2 368.522 0.213 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(N4CCCC4)nn3)C2)CC1 ZINC000369273833 216374922 /nfs/dbraw/zinc/37/49/22/216374922.db2.gz JXXHIDGGDJAYIN-HNNXBMFYSA-N 2 2 358.490 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(N4CCCC4)nn3)C2)CC1 ZINC000369273833 216374924 /nfs/dbraw/zinc/37/49/24/216374924.db2.gz JXXHIDGGDJAYIN-HNNXBMFYSA-N 2 2 358.490 0.975 20 0 FCADLP Cc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375830 216390848 /nfs/dbraw/zinc/39/08/48/216390848.db2.gz ZDPNVJYMSXYNIB-GJZGRUSLSA-N 2 2 361.494 0.369 20 0 FCADLP Cc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375830 216390850 /nfs/dbraw/zinc/39/08/50/216390850.db2.gz ZDPNVJYMSXYNIB-GJZGRUSLSA-N 2 2 361.494 0.369 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCNC(=O)[C@@H]3C)CC2)c1 ZINC000189267726 209246746 /nfs/dbraw/zinc/24/67/46/209246746.db2.gz YPUWZNNHRGYIIV-KRWDZBQOSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCNC(=O)[C@@H]3C)CC2)c1 ZINC000189267726 209246749 /nfs/dbraw/zinc/24/67/49/209246749.db2.gz YPUWZNNHRGYIIV-KRWDZBQOSA-N 2 2 358.486 0.850 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)c1 ZINC000188955809 209243684 /nfs/dbraw/zinc/24/36/84/209243684.db2.gz SHBAWSJGBLQYNW-WMLDXEAASA-N 2 2 351.422 0.918 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000188945753 209242813 /nfs/dbraw/zinc/24/28/13/209242813.db2.gz MMCFDDPBRRJGLV-IAGOWNOFSA-N 2 2 369.554 0.357 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000188945753 209242817 /nfs/dbraw/zinc/24/28/17/209242817.db2.gz MMCFDDPBRRJGLV-IAGOWNOFSA-N 2 2 369.554 0.357 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000188728224 209235111 /nfs/dbraw/zinc/23/51/11/209235111.db2.gz VPDYBFMZXJBBQP-IEBWSBKVSA-N 2 2 360.502 0.500 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000188728224 209235115 /nfs/dbraw/zinc/23/51/15/209235115.db2.gz VPDYBFMZXJBBQP-IEBWSBKVSA-N 2 2 360.502 0.500 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000188586763 209233823 /nfs/dbraw/zinc/23/38/23/209233823.db2.gz HCXZXKNZVYUBAM-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000188586763 209233827 /nfs/dbraw/zinc/23/38/27/209233827.db2.gz HCXZXKNZVYUBAM-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@]12CCOC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000186752613 209195830 /nfs/dbraw/zinc/19/58/30/209195830.db2.gz PAVPSFAPISRWPS-LJQANCHMSA-N 2 2 358.442 0.902 20 0 FCADLP O=C(CC[N@H+]1CCC[C@]12CCOC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000186752613 209195831 /nfs/dbraw/zinc/19/58/31/209195831.db2.gz PAVPSFAPISRWPS-LJQANCHMSA-N 2 2 358.442 0.902 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)n1C ZINC000275989219 212134954 /nfs/dbraw/zinc/13/49/54/212134954.db2.gz UTTQJOXDSCUPIF-UHFFFAOYSA-N 2 2 356.430 0.686 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)n1C ZINC000275989219 212134956 /nfs/dbraw/zinc/13/49/56/212134956.db2.gz UTTQJOXDSCUPIF-UHFFFAOYSA-N 2 2 356.430 0.686 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430708 674114465 /nfs/dbraw/zinc/11/44/65/674114465.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430708 674114468 /nfs/dbraw/zinc/11/44/68/674114468.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430708 674114471 /nfs/dbraw/zinc/11/44/71/674114471.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 3 2 352.523 0.343 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931430708 674114472 /nfs/dbraw/zinc/11/44/72/674114472.db2.gz QNXUMHCPPDAAKO-RCCFBDPRSA-N 3 2 352.523 0.343 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818834 212096781 /nfs/dbraw/zinc/09/67/81/212096781.db2.gz VVEHAZUVNVREFB-MAUKXSAKSA-N 2 2 358.490 0.966 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818834 212096784 /nfs/dbraw/zinc/09/67/84/212096784.db2.gz VVEHAZUVNVREFB-MAUKXSAKSA-N 2 2 358.490 0.966 20 0 FCADLP C[C@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)N1CC[NH+](C)CC1 ZINC000275574624 212054105 /nfs/dbraw/zinc/05/41/05/212054105.db2.gz JBLVRSQTBSRTRA-HZPDHXFCSA-N 2 2 361.490 0.763 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275436431 212027700 /nfs/dbraw/zinc/02/77/00/212027700.db2.gz PPDHCWQCDORJNX-UHFFFAOYSA-N 2 2 362.474 0.520 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000414680688 245310005 /nfs/dbraw/zinc/31/00/05/245310005.db2.gz NPTMSIHMWVVMRT-QGZVFWFLSA-N 2 2 362.474 0.818 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000414685172 245310050 /nfs/dbraw/zinc/31/00/50/245310050.db2.gz YGNLVVBYRDUHGE-QGZVFWFLSA-N 2 2 362.474 0.818 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000414680687 245310833 /nfs/dbraw/zinc/31/08/33/245310833.db2.gz NPTMSIHMWVVMRT-KRWDZBQOSA-N 2 2 362.474 0.818 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000415084395 245344586 /nfs/dbraw/zinc/34/45/86/245344586.db2.gz RDCLQZYJTKCZEV-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)[C@H](C)C1 ZINC000415172022 245351590 /nfs/dbraw/zinc/35/15/90/245351590.db2.gz YUQGHJKDRYBZDA-CYBMUJFWSA-N 2 2 362.430 0.180 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)[C@H](C)C1 ZINC000415172022 245351601 /nfs/dbraw/zinc/35/16/01/245351601.db2.gz YUQGHJKDRYBZDA-CYBMUJFWSA-N 2 2 362.430 0.180 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000415230694 245365876 /nfs/dbraw/zinc/36/58/76/245365876.db2.gz NQSDOGQAHUDKCD-ZBFHGGJFSA-N 2 2 360.458 0.666 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000415244604 245369230 /nfs/dbraw/zinc/36/92/30/245369230.db2.gz YBTBVEHIKUPLJB-HNNXBMFYSA-N 2 2 350.467 0.727 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000415265121 245371402 /nfs/dbraw/zinc/37/14/02/245371402.db2.gz PKBVDELSHHSBHA-CALCHBBNSA-N 2 2 360.458 0.714 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000415265121 245371409 /nfs/dbraw/zinc/37/14/09/245371409.db2.gz PKBVDELSHHSBHA-CALCHBBNSA-N 2 2 360.458 0.714 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[NH+](Cc4ccncc4)CC3)cn2)CC1 ZINC000184715611 209165578 /nfs/dbraw/zinc/16/55/78/209165578.db2.gz ONDPFXPARABOFD-UHFFFAOYSA-N 2 2 367.501 0.941 20 0 FCADLP CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076191 217093838 /nfs/dbraw/zinc/09/38/38/217093838.db2.gz ZYURGTPYNSLSOG-QFBILLFUSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@]1(COC)CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076191 217093840 /nfs/dbraw/zinc/09/38/40/217093840.db2.gz ZYURGTPYNSLSOG-QFBILLFUSA-N 2 2 369.506 0.831 20 0 FCADLP CN(C(=O)C(=O)Nc1cncc(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374088172 217095227 /nfs/dbraw/zinc/09/52/27/217095227.db2.gz VFGKEYLRPWMZOH-INIZCTEOSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1cncc(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374088172 217095231 /nfs/dbraw/zinc/09/52/31/217095231.db2.gz VFGKEYLRPWMZOH-INIZCTEOSA-N 2 2 363.437 0.786 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374293239 217115270 /nfs/dbraw/zinc/11/52/70/217115270.db2.gz BEZFUWGZLGUVBD-PMPSAXMXSA-N 2 2 353.511 0.567 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374293239 217115272 /nfs/dbraw/zinc/11/52/72/217115272.db2.gz BEZFUWGZLGUVBD-PMPSAXMXSA-N 2 2 353.511 0.567 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374293235 217115923 /nfs/dbraw/zinc/11/59/23/217115923.db2.gz BEZFUWGZLGUVBD-JYJNAYRXSA-N 2 2 353.511 0.567 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374293235 217115927 /nfs/dbraw/zinc/11/59/27/217115927.db2.gz BEZFUWGZLGUVBD-JYJNAYRXSA-N 2 2 353.511 0.567 20 0 FCADLP COc1ccccc1[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]1 ZINC000374376382 217123867 /nfs/dbraw/zinc/12/38/67/217123867.db2.gz DIGLRAAIDYMCBE-NVXWUHKLSA-N 2 2 374.485 0.578 20 0 FCADLP C[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000274762135 211903704 /nfs/dbraw/zinc/90/37/04/211903704.db2.gz IGHYGHXNCMKXNB-RHSMWYFYSA-N 2 2 350.438 0.522 20 0 FCADLP C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000183174159 209141790 /nfs/dbraw/zinc/14/17/90/209141790.db2.gz VJBLJCAPPVOLCE-HUUCEWRRSA-N 2 2 350.463 0.861 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccn1 ZINC000183147333 209141956 /nfs/dbraw/zinc/14/19/56/209141956.db2.gz UWHKRUHHMHIANT-UHFFFAOYSA-N 2 2 350.463 0.863 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)ccn1 ZINC000183147333 209141966 /nfs/dbraw/zinc/14/19/66/209141966.db2.gz UWHKRUHHMHIANT-UHFFFAOYSA-N 2 2 350.463 0.863 20 0 FCADLP C[C@H](O)[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183179013 209143271 /nfs/dbraw/zinc/14/32/71/209143271.db2.gz APNMIROTXXENNR-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183179013 209143276 /nfs/dbraw/zinc/14/32/76/209143276.db2.gz APNMIROTXXENNR-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183178995 209142677 /nfs/dbraw/zinc/14/26/77/209142677.db2.gz APNMIROTXXENNR-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000183178995 209142680 /nfs/dbraw/zinc/14/26/80/209142680.db2.gz APNMIROTXXENNR-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182966047 209138265 /nfs/dbraw/zinc/13/82/65/209138265.db2.gz YTVFUBRFSHONNB-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182966047 209138267 /nfs/dbraw/zinc/13/82/67/209138267.db2.gz YTVFUBRFSHONNB-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000182965322 209138118 /nfs/dbraw/zinc/13/81/18/209138118.db2.gz HQBMFQAWBOBHON-IBGZPJMESA-N 2 2 361.486 0.975 20 0 FCADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000375251497 217239295 /nfs/dbraw/zinc/23/92/95/217239295.db2.gz WDAYNJXQLVQLKB-KPFFTGBYSA-N 2 2 359.470 0.570 20 0 FCADLP Cc1ccncc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375546426 217284177 /nfs/dbraw/zinc/28/41/77/217284177.db2.gz PBZMTMFJOXWVJI-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccncc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375546426 217284180 /nfs/dbraw/zinc/28/41/80/217284180.db2.gz PBZMTMFJOXWVJI-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418424147 245783859 /nfs/dbraw/zinc/78/38/59/245783859.db2.gz GJLNRSWVJOYVCE-HZPDHXFCSA-N 2 2 353.511 0.698 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1F ZINC000419074109 245970270 /nfs/dbraw/zinc/97/02/70/245970270.db2.gz LLZUZABYKUNCKT-KCXAZCMYSA-N 2 2 371.416 0.585 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122049 245997885 /nfs/dbraw/zinc/99/78/85/245997885.db2.gz SXUBDJOSRHJHJV-OAGGEKHMSA-N 2 2 354.495 0.093 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000419130160 246004979 /nfs/dbraw/zinc/00/49/79/246004979.db2.gz AWDNLDBRIASHSX-KRWDZBQOSA-N 2 2 369.469 0.939 20 0 FCADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419146669 246014909 /nfs/dbraw/zinc/01/49/09/246014909.db2.gz HRVOTFWYZPWACS-INIZCTEOSA-N 2 2 355.442 0.610 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000419201545 246051208 /nfs/dbraw/zinc/05/12/08/246051208.db2.gz FUKIBFRRMKNLAC-INIZCTEOSA-N 2 2 359.474 0.802 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270041 246082586 /nfs/dbraw/zinc/08/25/86/246082586.db2.gz CNAHVTFOMWKRTP-YOEHRIQHSA-N 2 2 355.442 0.662 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419282766 246086317 /nfs/dbraw/zinc/08/63/17/246086317.db2.gz RCSJHXLCDOUWKQ-HDICACEKSA-N 2 2 367.453 0.901 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419235265 246071032 /nfs/dbraw/zinc/07/10/32/246071032.db2.gz JDGXWYJHDFCRAP-MRXNPFEDSA-N 2 2 355.442 0.941 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419313486 246095361 /nfs/dbraw/zinc/09/53/61/246095361.db2.gz STOKVSBJAKNYHR-IYBDPMFKSA-N 2 2 357.458 0.366 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)[nH+]c1 ZINC000419295833 246089180 /nfs/dbraw/zinc/08/91/80/246089180.db2.gz DFBIONNXFXKCAH-UHFFFAOYSA-N 2 2 359.474 0.685 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508031 246186620 /nfs/dbraw/zinc/18/66/20/246186620.db2.gz QFBLSBTYXYAHII-DLBZAZTESA-N 2 2 373.501 0.134 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419640653 246226715 /nfs/dbraw/zinc/22/67/15/246226715.db2.gz KTNAAJDQHCSATB-WMLDXEAASA-N 2 2 355.442 0.662 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000419649266 246228895 /nfs/dbraw/zinc/22/88/95/246228895.db2.gz MZWFAHNYQHRJHZ-HNNXBMFYSA-N 2 2 361.490 0.773 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000419677349 246243873 /nfs/dbraw/zinc/24/38/73/246243873.db2.gz COESNNJCOIVKOY-HZPDHXFCSA-N 2 2 368.522 0.640 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000419699929 246256907 /nfs/dbraw/zinc/25/69/07/246256907.db2.gz AUNFCFQKQPPCDG-MELADBBJSA-N 2 2 361.446 0.006 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000419795326 246297779 /nfs/dbraw/zinc/29/77/79/246297779.db2.gz JSPUXDHDNAIXDJ-UHFFFAOYSA-N 2 2 360.458 0.668 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419802575 246302293 /nfs/dbraw/zinc/30/22/93/246302293.db2.gz LTKPNROGWZMYGZ-UHFFFAOYSA-N 3 2 367.538 0.249 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419802575 246302301 /nfs/dbraw/zinc/30/23/01/246302301.db2.gz LTKPNROGWZMYGZ-UHFFFAOYSA-N 3 2 367.538 0.249 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419816041 246305502 /nfs/dbraw/zinc/30/55/02/246305502.db2.gz LETBNMKAQNSFBA-GFCCVEGCSA-N 2 2 358.389 0.633 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419841715 246316952 /nfs/dbraw/zinc/31/69/52/246316952.db2.gz GVTUJPIEDCGCIG-HNNXBMFYSA-N 2 2 359.474 0.545 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419846708 246318480 /nfs/dbraw/zinc/31/84/80/246318480.db2.gz RZJKMWHLPVELQZ-HIFRSBDPSA-N 2 2 350.488 0.822 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419844748 246318633 /nfs/dbraw/zinc/31/86/33/246318633.db2.gz OISMLCNRODLXNP-DOTOQJQBSA-N 2 2 374.485 0.769 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000419855558 246326493 /nfs/dbraw/zinc/32/64/93/246326493.db2.gz CYUGNKXATMVFBK-WEBJUUICSA-N 2 2 356.470 0.698 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000419925325 246370272 /nfs/dbraw/zinc/37/02/72/246370272.db2.gz OMJBKBULUYTGLZ-AWEZNQCLSA-N 2 2 360.458 0.236 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419877293 246343990 /nfs/dbraw/zinc/34/39/90/246343990.db2.gz PSCHACFSIFOJQV-KGLIPLIRSA-N 2 2 350.488 0.778 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419877237 246344633 /nfs/dbraw/zinc/34/46/33/246344633.db2.gz YBPHUZPNTNXUEB-SWLSCSKDSA-N 2 2 350.488 0.807 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419889339 246351850 /nfs/dbraw/zinc/35/18/50/246351850.db2.gz SCBDSAVMKJUHFN-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419910343 246363013 /nfs/dbraw/zinc/36/30/13/246363013.db2.gz OUYDSDPKEJDZLS-TWGQIWQCSA-N 2 2 358.486 0.960 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419977955 246398486 /nfs/dbraw/zinc/39/84/86/246398486.db2.gz NNPZRXLMKFNVAF-AWEZNQCLSA-N 2 2 361.490 0.897 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423020333 246947947 /nfs/dbraw/zinc/94/79/47/246947947.db2.gz ZZVXMLURFGFQHS-HNNXBMFYSA-N 2 2 364.515 0.980 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@@]1(C)C[NH3+] ZINC000423371712 247012672 /nfs/dbraw/zinc/01/26/72/247012672.db2.gz ARWMBWXNFPZUNW-SPYBWZPUSA-N 2 2 361.490 0.645 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423374879 247015533 /nfs/dbraw/zinc/01/55/33/247015533.db2.gz UAXOGSKADYDNGU-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000423383480 247018192 /nfs/dbraw/zinc/01/81/92/247018192.db2.gz JKZUPUIWVHVOPF-SCTDSRPQSA-N 2 2 361.486 0.959 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423310671 247000709 /nfs/dbraw/zinc/00/07/09/247000709.db2.gz AQJDJQAKWMOGRJ-LZLYRXPVSA-N 2 2 373.501 0.873 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000423314154 247004042 /nfs/dbraw/zinc/00/40/42/247004042.db2.gz GRTKWHWEJHSGIL-SJORKVTESA-N 2 2 373.501 0.745 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000423325621 247005551 /nfs/dbraw/zinc/00/55/51/247005551.db2.gz QJEOOFMIUFAAPB-INIZCTEOSA-N 2 2 373.501 0.745 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423583808 247063535 /nfs/dbraw/zinc/06/35/35/247063535.db2.gz AZODRFKSXFDIDO-WMZOPIPTSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423583808 247063541 /nfs/dbraw/zinc/06/35/41/247063541.db2.gz AZODRFKSXFDIDO-WMZOPIPTSA-N 2 2 374.485 0.296 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423496208 247037112 /nfs/dbraw/zinc/03/71/12/247037112.db2.gz GAGDJOQWGULVNH-GJZGRUSLSA-N 2 2 355.442 0.895 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423496207 247038413 /nfs/dbraw/zinc/03/84/13/247038413.db2.gz GAGDJOQWGULVNH-CABCVRRESA-N 2 2 355.442 0.895 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685611 247108473 /nfs/dbraw/zinc/10/84/73/247108473.db2.gz SMQZKXNXMODNIP-QXSJWSMHSA-N 2 2 354.495 0.282 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685611 247108476 /nfs/dbraw/zinc/10/84/76/247108476.db2.gz SMQZKXNXMODNIP-QXSJWSMHSA-N 2 2 354.495 0.282 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)s1 ZINC000423607444 247073359 /nfs/dbraw/zinc/07/33/59/247073359.db2.gz MPYMDCDJHMGZAF-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000423618825 247079404 /nfs/dbraw/zinc/07/94/04/247079404.db2.gz UUGVMMPWPSJMFE-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423623430 247082214 /nfs/dbraw/zinc/08/22/14/247082214.db2.gz BYBMKALRNHSCRX-IRXDYDNUSA-N 2 2 358.486 0.582 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423636828 247085034 /nfs/dbraw/zinc/08/50/34/247085034.db2.gz SOKUBIHVKRPLIE-LSDHHAIUSA-N 2 2 364.515 0.644 20 0 FCADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423633701 247086214 /nfs/dbraw/zinc/08/62/14/247086214.db2.gz POCIXXRURCMDPL-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000423782417 247141282 /nfs/dbraw/zinc/14/12/82/247141282.db2.gz ZJZIIKVXLCUROG-OAHLLOKOSA-N 2 2 362.478 0.193 20 0 FCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000423782417 247141286 /nfs/dbraw/zinc/14/12/86/247141286.db2.gz ZJZIIKVXLCUROG-OAHLLOKOSA-N 2 2 362.478 0.193 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827738 247144383 /nfs/dbraw/zinc/14/43/83/247144383.db2.gz NSNZXNBRZODYAO-XJKSGUPXSA-N 2 2 356.829 0.806 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827738 247144387 /nfs/dbraw/zinc/14/43/87/247144387.db2.gz NSNZXNBRZODYAO-XJKSGUPXSA-N 2 2 356.829 0.806 20 0 FCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423895799 247149148 /nfs/dbraw/zinc/14/91/48/247149148.db2.gz IJSMIVDYSVGMQV-QZTJIDSGSA-N 2 2 356.470 0.684 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)c2c[nH+]ccc2N)cc[nH+]1 ZINC000423919991 247151436 /nfs/dbraw/zinc/15/14/36/247151436.db2.gz FUAQZJFNWPPCMP-RYUDHWBXSA-N 2 2 359.409 0.697 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423719305 247124533 /nfs/dbraw/zinc/12/45/33/247124533.db2.gz COSLPJVQOMDFIX-SOLBZPMBSA-N 2 2 373.501 0.873 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000423729478 247130950 /nfs/dbraw/zinc/13/09/50/247130950.db2.gz XERGXDPRKLFYHE-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000423729478 247130952 /nfs/dbraw/zinc/13/09/52/247130952.db2.gz XERGXDPRKLFYHE-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000423739083 247134554 /nfs/dbraw/zinc/13/45/54/247134554.db2.gz QZGCKOSHNRNBGS-WCVJEAGWSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000423739083 247134560 /nfs/dbraw/zinc/13/45/60/247134560.db2.gz QZGCKOSHNRNBGS-WCVJEAGWSA-N 2 2 354.495 0.140 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000424299322 247196053 /nfs/dbraw/zinc/19/60/53/247196053.db2.gz IZRWFWHNRQJGHJ-OAHLLOKOSA-N 2 2 353.488 0.767 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000424299322 247196056 /nfs/dbraw/zinc/19/60/56/247196056.db2.gz IZRWFWHNRQJGHJ-OAHLLOKOSA-N 2 2 353.488 0.767 20 0 FCADLP C[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000424043208 247162104 /nfs/dbraw/zinc/16/21/04/247162104.db2.gz FPNLDZYRFLFWJH-FHLIZLRMSA-N 2 2 362.449 0.535 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424495696 247239759 /nfs/dbraw/zinc/23/97/59/247239759.db2.gz REXGUBNXAJRLSQ-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCN(Cc3[nH]cc[nH+]3)CC1)CC[NH2+]CC2 ZINC000424497799 247241058 /nfs/dbraw/zinc/24/10/58/247241058.db2.gz XZFGTCITLATVKB-OAHLLOKOSA-N 2 2 374.489 0.045 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCc1ccn3cc[nH+]c3c1)CC[NH2+]CC2 ZINC000424536341 247254998 /nfs/dbraw/zinc/25/49/98/247254998.db2.gz AZYXGAJYUWCQTB-AWEZNQCLSA-N 2 2 355.442 0.941 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000424460372 247227670 /nfs/dbraw/zinc/22/76/70/247227670.db2.gz YCZQUZPFCWOBPY-UHFFFAOYSA-N 2 2 356.430 0.460 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000425379185 247328597 /nfs/dbraw/zinc/32/85/97/247328597.db2.gz ABVQGAGYODPEKI-LJQANCHMSA-N 2 2 368.481 0.804 20 0 FCADLP OC(C[NH+]1CCC[C@@H](n2ccnn2)C1)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499396 247345702 /nfs/dbraw/zinc/34/57/02/247345702.db2.gz AQOKRIVVIYVOED-HZPDHXFCSA-N 2 2 360.466 0.205 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000425663063 247359872 /nfs/dbraw/zinc/35/98/72/247359872.db2.gz POJIPBCBUIXBSV-JZXOWHBKSA-N 2 2 368.547 0.930 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000425663063 247359875 /nfs/dbraw/zinc/35/98/75/247359875.db2.gz POJIPBCBUIXBSV-JZXOWHBKSA-N 2 2 368.547 0.930 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000433134196 247844352 /nfs/dbraw/zinc/84/43/52/247844352.db2.gz KGMTZCYBKCTTDA-UHFFFAOYSA-N 2 2 371.478 0.919 20 0 FCADLP CC(=O)N1CCC[C@@H]1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435556271 248000330 /nfs/dbraw/zinc/00/03/30/248000330.db2.gz KZJQKWBHKKWRJP-CVEARBPZSA-N 2 2 359.474 0.902 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@H](C)S(C)(=O)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435562186 248000384 /nfs/dbraw/zinc/00/03/84/248000384.db2.gz CJMMFDQHPOXHIK-KBPBESRZSA-N 2 2 368.503 0.807 20 0 FCADLP CC[C@@](C)(OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000435679071 248008438 /nfs/dbraw/zinc/00/84/38/248008438.db2.gz VPGPBSADCOSQHJ-LJQANCHMSA-N 2 2 368.522 0.498 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)([NH+]2CCOCC2)C1 ZINC000435693008 248009842 /nfs/dbraw/zinc/00/98/42/248009842.db2.gz HZXZGFVHGVFJFC-HJOIGYKYSA-N 2 2 365.478 0.841 20 0 FCADLP CCn1cc[nH+]c1CN(CC(=O)NC(=O)NC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692995 248011037 /nfs/dbraw/zinc/01/10/37/248011037.db2.gz HWVOIXANQOKBML-HNNXBMFYSA-N 2 2 374.489 0.835 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000436052683 248029988 /nfs/dbraw/zinc/02/99/88/248029988.db2.gz CUVPAFWLAZGGNQ-VXGBXAGGSA-N 2 2 350.385 0.469 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000436052683 248029989 /nfs/dbraw/zinc/02/99/89/248029989.db2.gz CUVPAFWLAZGGNQ-VXGBXAGGSA-N 2 2 350.385 0.469 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000436059776 248030326 /nfs/dbraw/zinc/03/03/26/248030326.db2.gz LLRZYAUAJHDHEM-RDJZCZTQSA-N 2 2 374.485 0.946 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000436059776 248030329 /nfs/dbraw/zinc/03/03/29/248030329.db2.gz LLRZYAUAJHDHEM-RDJZCZTQSA-N 2 2 374.485 0.946 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000436055207 248031514 /nfs/dbraw/zinc/03/15/14/248031514.db2.gz SQPNGNPEZXGERU-GFCCVEGCSA-N 2 2 365.503 0.890 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000436055207 248031515 /nfs/dbraw/zinc/03/15/15/248031515.db2.gz SQPNGNPEZXGERU-GFCCVEGCSA-N 2 2 365.503 0.890 20 0 FCADLP COCCO[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000436132237 248033097 /nfs/dbraw/zinc/03/30/97/248033097.db2.gz SPRFWGWAAGCYIH-GOSISDBHSA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@@H](SC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000437221287 248060030 /nfs/dbraw/zinc/06/00/30/248060030.db2.gz KUDBQFMLKZYAEP-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000440262583 248165397 /nfs/dbraw/zinc/16/53/97/248165397.db2.gz CHAHQAWFUHMJLM-INIZCTEOSA-N 2 2 374.485 0.662 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000440262583 248165401 /nfs/dbraw/zinc/16/54/01/248165401.db2.gz CHAHQAWFUHMJLM-INIZCTEOSA-N 2 2 374.485 0.662 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000442619470 248293232 /nfs/dbraw/zinc/29/32/32/248293232.db2.gz HSSPMZKMZZBTDB-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000442619470 248293233 /nfs/dbraw/zinc/29/32/33/248293233.db2.gz HSSPMZKMZZBTDB-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000442619470 248293235 /nfs/dbraw/zinc/29/32/35/248293235.db2.gz HSSPMZKMZZBTDB-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000442619470 248293237 /nfs/dbraw/zinc/29/32/37/248293237.db2.gz HSSPMZKMZZBTDB-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1[nH]cc[nH+]1 ZINC000443124421 248308282 /nfs/dbraw/zinc/30/82/82/248308282.db2.gz BQBSXMNYWXCMTM-GJZGRUSLSA-N 2 2 363.462 0.690 20 0 FCADLP CCOC1CC(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)([NH+]2CCOCC2)C1 ZINC000444550020 248364038 /nfs/dbraw/zinc/36/40/38/248364038.db2.gz MYCZAYGLHVEOHN-MUYFXNHWSA-N 2 2 368.522 0.008 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000271019218 211317029 /nfs/dbraw/zinc/31/70/29/211317029.db2.gz BFBQMGBCZNCAFD-KRWDZBQOSA-N 2 2 374.489 0.249 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000271019218 211317032 /nfs/dbraw/zinc/31/70/32/211317032.db2.gz BFBQMGBCZNCAFD-KRWDZBQOSA-N 2 2 374.489 0.249 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000469786557 250002921 /nfs/dbraw/zinc/00/29/21/250002921.db2.gz OMTXEXCULPOPPS-JYJNAYRXSA-N 2 2 356.511 0.306 20 0 FCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000469786557 250002925 /nfs/dbraw/zinc/00/29/25/250002925.db2.gz OMTXEXCULPOPPS-JYJNAYRXSA-N 2 2 356.511 0.306 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000470809736 250065685 /nfs/dbraw/zinc/06/56/85/250065685.db2.gz FDJKZVSMFCXUTE-RDJZCZTQSA-N 2 2 366.485 0.038 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000470809736 250065686 /nfs/dbraw/zinc/06/56/86/250065686.db2.gz FDJKZVSMFCXUTE-RDJZCZTQSA-N 2 2 366.485 0.038 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470963486 250082480 /nfs/dbraw/zinc/08/24/80/250082480.db2.gz LEGPLZLTBURUMO-HYVNUMGLSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470963486 250082484 /nfs/dbraw/zinc/08/24/84/250082484.db2.gz LEGPLZLTBURUMO-HYVNUMGLSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470963486 250082489 /nfs/dbraw/zinc/08/24/89/250082489.db2.gz LEGPLZLTBURUMO-HYVNUMGLSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470963486 250082492 /nfs/dbraw/zinc/08/24/92/250082492.db2.gz LEGPLZLTBURUMO-HYVNUMGLSA-N 2 2 350.507 0.763 20 0 FCADLP CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000472683242 250172908 /nfs/dbraw/zinc/17/29/08/250172908.db2.gz GHELGKJQFCZSMI-UHFFFAOYSA-N 2 2 368.503 0.237 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000472951524 250190044 /nfs/dbraw/zinc/19/00/44/250190044.db2.gz MVKOLAMFZLHIFC-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP C[N@H+](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCSC1 ZINC000480646550 250275163 /nfs/dbraw/zinc/27/51/63/250275163.db2.gz KZOWLBDMHYOHAK-MRXNPFEDSA-N 2 2 368.547 0.436 20 0 FCADLP C[N@@H+](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCSC1 ZINC000480646550 250275168 /nfs/dbraw/zinc/27/51/68/250275168.db2.gz KZOWLBDMHYOHAK-MRXNPFEDSA-N 2 2 368.547 0.436 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000480970040 250304726 /nfs/dbraw/zinc/30/47/26/250304726.db2.gz IHGHZGPBOHQPFR-YYIAUSFCSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000480970040 250304729 /nfs/dbraw/zinc/30/47/29/250304729.db2.gz IHGHZGPBOHQPFR-YYIAUSFCSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000480970040 250304734 /nfs/dbraw/zinc/30/47/34/250304734.db2.gz IHGHZGPBOHQPFR-YYIAUSFCSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000480970040 250304737 /nfs/dbraw/zinc/30/47/37/250304737.db2.gz IHGHZGPBOHQPFR-YYIAUSFCSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000481200143 250320815 /nfs/dbraw/zinc/32/08/15/250320815.db2.gz OZCKBLXLPQMUJA-PMPSAXMXSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000481200143 250320817 /nfs/dbraw/zinc/32/08/17/250320817.db2.gz OZCKBLXLPQMUJA-PMPSAXMXSA-N 2 2 361.490 0.973 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNc1nc(NC[C@](C)(O)C[NH+](C)C)c(Cl)c[nH+]1 ZINC000269762370 211070261 /nfs/dbraw/zinc/07/02/61/211070261.db2.gz FHOYVEWDDBWNLY-JKSUJKDBSA-N 3 2 374.917 0.579 20 0 FCADLP Cc1ccc(-c2nnn(CC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)n2)cc1 ZINC000482003779 250375323 /nfs/dbraw/zinc/37/53/23/250375323.db2.gz VKJYPEOHVMDRGN-UHFFFAOYSA-N 2 2 371.489 0.791 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+](C)C1 ZINC000413120730 532992504 /nfs/dbraw/zinc/99/25/04/532992504.db2.gz CYXAVDPVBVMMJD-CQSZACIVSA-N 2 2 363.462 0.508 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+](C)C1 ZINC000413120730 532992511 /nfs/dbraw/zinc/99/25/11/532992511.db2.gz CYXAVDPVBVMMJD-CQSZACIVSA-N 2 2 363.462 0.508 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+](C)C1 ZINC000413079632 532990678 /nfs/dbraw/zinc/99/06/78/532990678.db2.gz XLNQAAOUWNDKRG-CQSZACIVSA-N 2 2 359.430 0.623 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+](C)C1 ZINC000413079632 532990682 /nfs/dbraw/zinc/99/06/82/532990682.db2.gz XLNQAAOUWNDKRG-CQSZACIVSA-N 2 2 359.430 0.623 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+](C)C1 ZINC000413038054 532994948 /nfs/dbraw/zinc/99/49/48/532994948.db2.gz DAADOHAULWMWJH-KGLIPLIRSA-N 2 2 352.435 0.629 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+](C)C1 ZINC000413038054 532994953 /nfs/dbraw/zinc/99/49/53/532994953.db2.gz DAADOHAULWMWJH-KGLIPLIRSA-N 2 2 352.435 0.629 20 0 FCADLP C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073652465 208050328 /nfs/dbraw/zinc/05/03/28/208050328.db2.gz FORMQHXECBRJQK-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000072554100 208035957 /nfs/dbraw/zinc/03/59/57/208035957.db2.gz CGFYTMVJHIWTQF-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000072845426 208043797 /nfs/dbraw/zinc/04/37/97/208043797.db2.gz FWJGMBHISOBOJJ-GOSISDBHSA-N 2 2 374.485 0.926 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000072845426 208043803 /nfs/dbraw/zinc/04/38/03/208043803.db2.gz FWJGMBHISOBOJJ-GOSISDBHSA-N 2 2 374.485 0.926 20 0 FCADLP C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000077817737 208078660 /nfs/dbraw/zinc/07/86/60/208078660.db2.gz PUMJTBSHVNFIFO-OAHLLOKOSA-N 2 2 360.458 0.525 20 0 FCADLP C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000077817737 208078663 /nfs/dbraw/zinc/07/86/63/208078663.db2.gz PUMJTBSHVNFIFO-OAHLLOKOSA-N 2 2 360.458 0.525 20 0 FCADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@@H+]1C1CC1 ZINC000090081330 208128952 /nfs/dbraw/zinc/12/89/52/208128952.db2.gz UGKNIFNTGNNWTB-ZFWWWQNUSA-N 2 2 367.519 0.788 20 0 FCADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@H+]1C1CC1 ZINC000090081330 208128962 /nfs/dbraw/zinc/12/89/62/208128962.db2.gz UGKNIFNTGNNWTB-ZFWWWQNUSA-N 2 2 367.519 0.788 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000086171536 208113073 /nfs/dbraw/zinc/11/30/73/208113073.db2.gz VVEYFNXYAMVPRJ-QGZVFWFLSA-N 2 2 374.485 0.867 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093017780 208150801 /nfs/dbraw/zinc/15/08/01/208150801.db2.gz LPUXRLUZCWPLAV-SFHVURJKSA-N 2 2 374.533 0.773 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093017780 208150806 /nfs/dbraw/zinc/15/08/06/208150806.db2.gz LPUXRLUZCWPLAV-SFHVURJKSA-N 2 2 374.533 0.773 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)cn2)CC1 ZINC000093017780 208150812 /nfs/dbraw/zinc/15/08/12/208150812.db2.gz LPUXRLUZCWPLAV-SFHVURJKSA-N 2 2 374.533 0.773 20 0 FCADLP CN(C(=O)c1cscn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041200 208206700 /nfs/dbraw/zinc/20/67/00/208206700.db2.gz RFTOVPHGGOAJSJ-UHFFFAOYSA-N 2 2 365.503 0.454 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000107372097 208241938 /nfs/dbraw/zinc/24/19/38/208241938.db2.gz VKOXMBJOCMGMLF-QGZVFWFLSA-N 2 2 366.531 0.677 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000107372097 208241944 /nfs/dbraw/zinc/24/19/44/208241944.db2.gz VKOXMBJOCMGMLF-QGZVFWFLSA-N 2 2 366.531 0.677 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000106403369 208222196 /nfs/dbraw/zinc/22/21/96/208222196.db2.gz AFAPAVYCPLTGAZ-FQEVSTJZSA-N 2 2 374.529 0.963 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000106403369 208222201 /nfs/dbraw/zinc/22/22/01/208222201.db2.gz AFAPAVYCPLTGAZ-FQEVSTJZSA-N 2 2 374.529 0.963 20 0 FCADLP COC(=O)CNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000108919176 208250907 /nfs/dbraw/zinc/25/09/07/208250907.db2.gz DNPUNYKGVVOXCH-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP COC(=O)CNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108919176 208250911 /nfs/dbraw/zinc/25/09/11/208250911.db2.gz DNPUNYKGVVOXCH-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)CN2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000114456735 208311272 /nfs/dbraw/zinc/31/12/72/208311272.db2.gz DDTJBDJBFJVFMG-UHFFFAOYSA-N 2 2 362.522 0.527 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867649 208288246 /nfs/dbraw/zinc/28/82/46/208288246.db2.gz JEUHVLZQWGWKNV-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867649 208288251 /nfs/dbraw/zinc/28/82/51/208288251.db2.gz JEUHVLZQWGWKNV-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000114837342 208317249 /nfs/dbraw/zinc/31/72/49/208317249.db2.gz SUUXXVYSISWIIT-INIZCTEOSA-N 2 2 353.511 0.663 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000114837342 208317254 /nfs/dbraw/zinc/31/72/54/208317254.db2.gz SUUXXVYSISWIIT-INIZCTEOSA-N 2 2 353.511 0.663 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000114789167 208317911 /nfs/dbraw/zinc/31/79/11/208317911.db2.gz SQSGYRYJTLLGAL-QGZVFWFLSA-N 2 2 365.522 0.854 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000119598684 208364358 /nfs/dbraw/zinc/36/43/58/208364358.db2.gz QSQCJGIVULPFFR-UHFFFAOYSA-N 2 2 374.489 0.119 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120192535 208376894 /nfs/dbraw/zinc/37/68/94/208376894.db2.gz HXYVDTHIDJWMOY-MJGOQNOKSA-N 2 2 364.490 0.499 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120192535 208376901 /nfs/dbraw/zinc/37/69/01/208376901.db2.gz HXYVDTHIDJWMOY-MJGOQNOKSA-N 2 2 364.490 0.499 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000120923099 208394972 /nfs/dbraw/zinc/39/49/72/208394972.db2.gz AMSVOKHLMXPVQH-HNNXBMFYSA-N 2 2 371.441 0.895 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000266147952 210293200 /nfs/dbraw/zinc/29/32/00/210293200.db2.gz NFZWIODPXVERBW-KRWDZBQOSA-N 2 2 360.458 0.021 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000266147952 210293205 /nfs/dbraw/zinc/29/32/05/210293205.db2.gz NFZWIODPXVERBW-KRWDZBQOSA-N 2 2 360.458 0.021 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)CC1 ZINC000177468311 209025981 /nfs/dbraw/zinc/02/59/81/209025981.db2.gz MAXKCJHDRFSGLC-HNNXBMFYSA-N 2 2 363.506 0.608 20 0 FCADLP Cn1nccc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000177558473 209027579 /nfs/dbraw/zinc/02/75/79/209027579.db2.gz KXKRBQGGAFOUKF-HNNXBMFYSA-N 2 2 357.462 0.805 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178191017 209046240 /nfs/dbraw/zinc/04/62/40/209046240.db2.gz PQXHKNMISQXFCK-MRXNPFEDSA-N 2 2 370.457 0.782 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000178191017 209046244 /nfs/dbraw/zinc/04/62/44/209046244.db2.gz PQXHKNMISQXFCK-MRXNPFEDSA-N 2 2 370.457 0.782 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178047278 209042462 /nfs/dbraw/zinc/04/24/62/209042462.db2.gz KYXCQJPKKYRFIE-MRXNPFEDSA-N 2 2 364.465 0.473 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178076215 209043006 /nfs/dbraw/zinc/04/30/06/209043006.db2.gz AHCVBXVKDNLYJU-GOSISDBHSA-N 2 2 373.501 0.384 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(N3CCCNC3=O)CC2)CC1 ZINC000178471820 209051173 /nfs/dbraw/zinc/05/11/73/209051173.db2.gz CLESZJWOJPZVBQ-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP O=C(CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)N1CCOCC1 ZINC000178865349 209063568 /nfs/dbraw/zinc/06/35/68/209063568.db2.gz ZOHDRVFVENBMCJ-UHFFFAOYSA-N 2 2 353.386 0.871 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499672 533490986 /nfs/dbraw/zinc/49/09/86/533490986.db2.gz NRBKIMCHWCCWCN-LSDHHAIUSA-N 2 2 363.462 0.369 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499672 533490988 /nfs/dbraw/zinc/49/09/88/533490988.db2.gz NRBKIMCHWCCWCN-LSDHHAIUSA-N 2 2 363.462 0.369 20 0 FCADLP C[C@H]1CCSCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410653217 533679107 /nfs/dbraw/zinc/67/91/07/533679107.db2.gz DCIXIFZRFLDYMX-HNNXBMFYSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@H]1CCSCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410653217 533679100 /nfs/dbraw/zinc/67/91/00/533679100.db2.gz DCIXIFZRFLDYMX-HNNXBMFYSA-N 2 2 370.563 0.825 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000163659122 229203641 /nfs/dbraw/zinc/20/36/41/229203641.db2.gz OLEBWWYMYLRTCZ-UHFFFAOYSA-N 2 2 350.850 0.416 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497909 230103861 /nfs/dbraw/zinc/10/38/61/230103861.db2.gz LMNMRRZZAJNZRV-DOTOQJQBSA-N 2 2 373.501 0.896 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410497909 230103866 /nfs/dbraw/zinc/10/38/66/230103866.db2.gz LMNMRRZZAJNZRV-DOTOQJQBSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@H]1SCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000410655253 230172061 /nfs/dbraw/zinc/17/20/61/230172061.db2.gz QPMCBLFEKCBUHJ-LSDHHAIUSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@H]1SCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000410655253 230172066 /nfs/dbraw/zinc/17/20/66/230172066.db2.gz QPMCBLFEKCBUHJ-LSDHHAIUSA-N 2 2 370.563 0.823 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410702261 230200108 /nfs/dbraw/zinc/20/01/08/230200108.db2.gz WGNUVRSKNVRJOA-BRWVUGGUSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410702261 230200113 /nfs/dbraw/zinc/20/01/13/230200113.db2.gz WGNUVRSKNVRJOA-BRWVUGGUSA-N 2 2 364.490 0.005 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000410972637 230333197 /nfs/dbraw/zinc/33/31/97/230333197.db2.gz HQGUDAALHVVHIN-ZACQAIPSSA-N 2 2 373.501 0.754 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000410972637 230333201 /nfs/dbraw/zinc/33/32/01/230333201.db2.gz HQGUDAALHVVHIN-ZACQAIPSSA-N 2 2 373.501 0.754 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000933243820 674251701 /nfs/dbraw/zinc/25/17/01/674251701.db2.gz NDNJJBMPLJEIJU-KRWDZBQOSA-N 2 2 354.539 0.876 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000933243820 674251702 /nfs/dbraw/zinc/25/17/02/674251702.db2.gz NDNJJBMPLJEIJU-KRWDZBQOSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000299681121 488867055 /nfs/dbraw/zinc/86/70/55/488867055.db2.gz RMSDZVMXMGTYIG-CVEARBPZSA-N 2 2 361.490 0.559 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000299693988 488868128 /nfs/dbraw/zinc/86/81/28/488868128.db2.gz OAGMCPBVXSLRJR-HNNXBMFYSA-N 2 2 363.462 0.344 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000541250855 484118388 /nfs/dbraw/zinc/11/83/88/484118388.db2.gz COGHQAXVCAGWET-OAHLLOKOSA-N 2 2 351.451 0.122 20 0 FCADLP CC[NH+](CC)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000006949273 487499981 /nfs/dbraw/zinc/49/99/81/487499981.db2.gz YCABARKNYGDSOL-UHFFFAOYSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000301647091 488882816 /nfs/dbraw/zinc/88/28/16/488882816.db2.gz PZSKPVDWMHKNCR-GFCCVEGCSA-N 2 2 356.434 0.034 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000287574222 488883048 /nfs/dbraw/zinc/88/30/48/488883048.db2.gz BZWOBIUNKABSGG-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000302469476 488889338 /nfs/dbraw/zinc/88/93/38/488889338.db2.gz CIYFSAKFGUZZPP-CVEARBPZSA-N 2 2 363.506 0.967 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000302469476 488889341 /nfs/dbraw/zinc/88/93/41/488889341.db2.gz CIYFSAKFGUZZPP-CVEARBPZSA-N 2 2 363.506 0.967 20 0 FCADLP COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363914937 488899962 /nfs/dbraw/zinc/89/99/62/488899962.db2.gz YPALZQNRMUOPQH-HNNXBMFYSA-N 2 2 360.458 0.918 20 0 FCADLP COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363914937 488899964 /nfs/dbraw/zinc/89/99/64/488899964.db2.gz YPALZQNRMUOPQH-HNNXBMFYSA-N 2 2 360.458 0.918 20 0 FCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000328718540 488932569 /nfs/dbraw/zinc/93/25/69/488932569.db2.gz PVVWNMGHQHUYTP-UHFFFAOYSA-N 2 2 360.506 0.930 20 0 FCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000328718540 488932571 /nfs/dbraw/zinc/93/25/71/488932571.db2.gz PVVWNMGHQHUYTP-UHFFFAOYSA-N 2 2 360.506 0.930 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208107 488936130 /nfs/dbraw/zinc/93/61/30/488936130.db2.gz QUVGEJIMWOSCAD-YJBOKZPZSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208107 488936131 /nfs/dbraw/zinc/93/61/31/488936131.db2.gz QUVGEJIMWOSCAD-YJBOKZPZSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328773566 488937118 /nfs/dbraw/zinc/93/71/18/488937118.db2.gz RUYSZMHTROOBLT-MRXNPFEDSA-N 2 2 358.490 0.966 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328773566 488937120 /nfs/dbraw/zinc/93/71/20/488937120.db2.gz RUYSZMHTROOBLT-MRXNPFEDSA-N 2 2 358.490 0.966 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364280532 488943879 /nfs/dbraw/zinc/94/38/79/488943879.db2.gz IQRBBRWKMVHYJP-MRXNPFEDSA-N 2 2 367.538 0.959 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364280532 488943880 /nfs/dbraw/zinc/94/38/80/488943880.db2.gz IQRBBRWKMVHYJP-MRXNPFEDSA-N 2 2 367.538 0.959 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](CO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000015261144 487577669 /nfs/dbraw/zinc/57/76/69/487577669.db2.gz UOYBXALULLERHT-KRWDZBQOSA-N 2 2 361.486 0.839 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](CO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000015261144 487577674 /nfs/dbraw/zinc/57/76/74/487577674.db2.gz UOYBXALULLERHT-KRWDZBQOSA-N 2 2 361.486 0.839 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000025417369 487666050 /nfs/dbraw/zinc/66/60/50/487666050.db2.gz PNNMEBXUZRKKGQ-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000025417369 487666055 /nfs/dbraw/zinc/66/60/55/487666055.db2.gz PNNMEBXUZRKKGQ-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)NCCCn3cc[nH+]c3)ccn2)CC1 ZINC000047597169 488037709 /nfs/dbraw/zinc/03/77/09/488037709.db2.gz IMWWVHVCNTVLLE-UHFFFAOYSA-N 2 2 357.462 0.919 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1cccnc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048783882 488083178 /nfs/dbraw/zinc/08/31/78/488083178.db2.gz PQJXNVJOXZAFBU-UHFFFAOYSA-N 2 2 361.471 0.718 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)CC1 ZINC000050799293 488114676 /nfs/dbraw/zinc/11/46/76/488114676.db2.gz BFGROSSNQDJHOR-MRXNPFEDSA-N 2 2 372.535 0.085 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)N3CCCC3)CC2)CC1 ZINC000051758984 488143583 /nfs/dbraw/zinc/14/35/83/488143583.db2.gz SCRMVGTUFMJLOV-UHFFFAOYSA-N 2 2 351.495 0.467 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763089 488145179 /nfs/dbraw/zinc/14/51/79/488145179.db2.gz GKZLRUXJOPDSPV-KRWDZBQOSA-N 2 2 360.502 0.748 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768047 488146049 /nfs/dbraw/zinc/14/60/49/488146049.db2.gz WJKDYSRRQAQYDK-UHFFFAOYSA-N 2 2 352.504 0.605 20 0 FCADLP O=C(C[N@H+]1CCCC[C@H]1CO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052871574 488186027 /nfs/dbraw/zinc/18/60/27/488186027.db2.gz HMFDYQHGSIEMJE-IBGZPJMESA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@@H+]1CCCC[C@H]1CO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052871574 488186029 /nfs/dbraw/zinc/18/60/29/488186029.db2.gz HMFDYQHGSIEMJE-IBGZPJMESA-N 2 2 361.486 0.982 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000066186467 488325445 /nfs/dbraw/zinc/32/54/45/488325445.db2.gz FFRIBXGISBEPOS-MRXNPFEDSA-N 2 2 363.510 0.628 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000066186467 488325446 /nfs/dbraw/zinc/32/54/46/488325446.db2.gz FFRIBXGISBEPOS-MRXNPFEDSA-N 2 2 363.510 0.628 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000562814779 491191895 /nfs/dbraw/zinc/19/18/95/491191895.db2.gz DYWXMNAZFUUNCT-UHFFFAOYSA-N 2 2 360.466 0.583 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000067412233 488350269 /nfs/dbraw/zinc/35/02/69/488350269.db2.gz RVISBRSXTHELMW-INIZCTEOSA-N 2 2 354.495 0.062 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000067412233 488350272 /nfs/dbraw/zinc/35/02/72/488350272.db2.gz RVISBRSXTHELMW-INIZCTEOSA-N 2 2 354.495 0.062 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000071067801 488376647 /nfs/dbraw/zinc/37/66/47/488376647.db2.gz UHKWXPGYXRNNIV-UHFFFAOYSA-N 2 2 360.418 0.290 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000071067801 488376648 /nfs/dbraw/zinc/37/66/48/488376648.db2.gz UHKWXPGYXRNNIV-UHFFFAOYSA-N 2 2 360.418 0.290 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000072872556 488383205 /nfs/dbraw/zinc/38/32/05/488383205.db2.gz XUTXWJUPFSCHCJ-OKILXGFUSA-N 2 2 357.462 0.600 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1C ZINC000072872556 488383206 /nfs/dbraw/zinc/38/32/06/488383206.db2.gz XUTXWJUPFSCHCJ-OKILXGFUSA-N 2 2 357.462 0.600 20 0 FCADLP O=C(CN1CCOCC1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000073299006 488384295 /nfs/dbraw/zinc/38/42/95/488384295.db2.gz BBFGHILGOPCZLH-UHFFFAOYSA-N 2 2 369.469 0.849 20 0 FCADLP CN(CCCNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)S(C)(=O)=O ZINC000075861138 488399691 /nfs/dbraw/zinc/39/96/91/488399691.db2.gz UXVKARGWVHFTOO-OAHLLOKOSA-N 2 2 362.540 0.190 20 0 FCADLP CN(CCCNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)S(C)(=O)=O ZINC000075861138 488399693 /nfs/dbraw/zinc/39/96/93/488399693.db2.gz UXVKARGWVHFTOO-OAHLLOKOSA-N 2 2 362.540 0.190 20 0 FCADLP CN(CCCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)S(C)(=O)=O ZINC000075861138 488399696 /nfs/dbraw/zinc/39/96/96/488399696.db2.gz UXVKARGWVHFTOO-OAHLLOKOSA-N 2 2 362.540 0.190 20 0 FCADLP CN(CCCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)S(C)(=O)=O ZINC000075861138 488399700 /nfs/dbraw/zinc/39/97/00/488399700.db2.gz UXVKARGWVHFTOO-OAHLLOKOSA-N 2 2 362.540 0.190 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000185313357 488400283 /nfs/dbraw/zinc/40/02/83/488400283.db2.gz ULELJNPDOPGCNJ-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000185313357 488400284 /nfs/dbraw/zinc/40/02/84/488400284.db2.gz ULELJNPDOPGCNJ-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000185313357 488400286 /nfs/dbraw/zinc/40/02/86/488400286.db2.gz ULELJNPDOPGCNJ-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185863978 488402967 /nfs/dbraw/zinc/40/29/67/488402967.db2.gz RLKXKQDHXSJZPI-QGZVFWFLSA-N 3 2 361.538 0.344 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000186128775 488404207 /nfs/dbraw/zinc/40/42/07/488404207.db2.gz ZZVXOHKOCRGVEG-DLBZAZTESA-N 2 2 356.511 0.585 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000076454151 488404908 /nfs/dbraw/zinc/40/49/08/488404908.db2.gz KTOKWMFNCHCHLM-HNNXBMFYSA-N 2 2 371.445 0.335 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000076454151 488404909 /nfs/dbraw/zinc/40/49/09/488404909.db2.gz KTOKWMFNCHCHLM-HNNXBMFYSA-N 2 2 371.445 0.335 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000077593820 488415930 /nfs/dbraw/zinc/41/59/30/488415930.db2.gz CDTJLAAKZJWEHA-IAGOWNOFSA-N 2 2 368.522 0.849 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000077803685 488418359 /nfs/dbraw/zinc/41/83/59/488418359.db2.gz HGZPRFORTYMARE-OAHLLOKOSA-N 2 2 367.519 0.860 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000191517746 488420082 /nfs/dbraw/zinc/42/00/82/488420082.db2.gz GHNLHXWWSNTJHR-LSDHHAIUSA-N 2 2 370.519 0.849 20 0 FCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000192112010 488421985 /nfs/dbraw/zinc/42/19/85/488421985.db2.gz KXWWQWFCIFPZDB-UHFFFAOYSA-N 2 2 363.487 0.587 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193282480 488426602 /nfs/dbraw/zinc/42/66/02/488426602.db2.gz DTXXARQLQJZFHD-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193282480 488426604 /nfs/dbraw/zinc/42/66/04/488426604.db2.gz DTXXARQLQJZFHD-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CC(N)=O)CC1 ZINC000194347227 488432321 /nfs/dbraw/zinc/43/23/21/488432321.db2.gz PXVVZVOAINNNAF-HNNXBMFYSA-N 2 2 359.474 0.706 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+](CC2CC2)CC1 ZINC000080022187 488432869 /nfs/dbraw/zinc/43/28/69/488432869.db2.gz ZBIIAHPWPVPJQS-SFHVURJKSA-N 2 2 368.547 0.932 20 0 FCADLP C[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000080893741 488437556 /nfs/dbraw/zinc/43/75/56/488437556.db2.gz QEQXOSOJXDWSMK-OXQOHEQNSA-N 2 2 361.486 0.633 20 0 FCADLP C[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000080893741 488437558 /nfs/dbraw/zinc/43/75/58/488437558.db2.gz QEQXOSOJXDWSMK-OXQOHEQNSA-N 2 2 361.486 0.633 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081531462 488442969 /nfs/dbraw/zinc/44/29/69/488442969.db2.gz HBBKCRQAXDQCOD-UHFFFAOYSA-N 2 2 368.522 0.901 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000083702898 488447776 /nfs/dbraw/zinc/44/77/76/488447776.db2.gz IWAIARRZTGWHEP-MRXNPFEDSA-N 2 2 365.478 0.096 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000083716584 488448582 /nfs/dbraw/zinc/44/85/82/488448582.db2.gz JGZBLFNGSIMOKE-QGZVFWFLSA-N 2 2 356.511 0.585 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000084867668 488451194 /nfs/dbraw/zinc/45/11/94/488451194.db2.gz GPRKWYBGWNWXEJ-AWEZNQCLSA-N 2 2 369.428 0.583 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000084867668 488451196 /nfs/dbraw/zinc/45/11/96/488451196.db2.gz GPRKWYBGWNWXEJ-AWEZNQCLSA-N 2 2 369.428 0.583 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000236712532 488453269 /nfs/dbraw/zinc/45/32/69/488453269.db2.gz GJJZYBINDHWGMZ-MJGOQNOKSA-N 2 2 369.469 0.928 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237670162 488456886 /nfs/dbraw/zinc/45/68/86/488456886.db2.gz IOYDYBRBCZHEFU-UHFFFAOYSA-N 2 2 364.877 0.852 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000237959871 488457696 /nfs/dbraw/zinc/45/76/96/488457696.db2.gz RROLUYDXJXLCIW-SFHVURJKSA-N 2 2 374.485 0.446 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000268987673 488460603 /nfs/dbraw/zinc/46/06/03/488460603.db2.gz QLSZXSZJUAPHEG-SFHVURJKSA-N 2 2 363.458 0.549 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000268987673 488460605 /nfs/dbraw/zinc/46/06/05/488460605.db2.gz QLSZXSZJUAPHEG-SFHVURJKSA-N 2 2 363.458 0.549 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1CCOC ZINC000245897866 488467028 /nfs/dbraw/zinc/46/70/28/488467028.db2.gz KSGJDOXTJSIBCZ-QZTJIDSGSA-N 2 2 369.554 0.765 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1CCOC ZINC000245897866 488467029 /nfs/dbraw/zinc/46/70/29/488467029.db2.gz KSGJDOXTJSIBCZ-QZTJIDSGSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246037130 488468877 /nfs/dbraw/zinc/46/88/77/488468877.db2.gz NBFXBUXQHQCWON-WMLDXEAASA-N 2 2 367.515 0.907 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000246037130 488468880 /nfs/dbraw/zinc/46/88/80/488468880.db2.gz NBFXBUXQHQCWON-WMLDXEAASA-N 2 2 367.515 0.907 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(Nc2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092897110 488477128 /nfs/dbraw/zinc/47/71/28/488477128.db2.gz VCGJKOHUUBPLKD-UHFFFAOYSA-N 2 2 365.463 0.165 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000246869987 488477732 /nfs/dbraw/zinc/47/77/32/488477732.db2.gz VZPAQZZNYODJMN-CMKODMSKSA-N 2 2 374.529 0.889 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000246869987 488477734 /nfs/dbraw/zinc/47/77/34/488477734.db2.gz VZPAQZZNYODJMN-CMKODMSKSA-N 2 2 374.529 0.889 20 0 FCADLP COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000093169476 488478103 /nfs/dbraw/zinc/47/81/03/488478103.db2.gz LICOOQRRFKZCBC-INIZCTEOSA-N 2 2 374.485 0.758 20 0 FCADLP COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000093169476 488478105 /nfs/dbraw/zinc/47/81/05/488478105.db2.gz LICOOQRRFKZCBC-INIZCTEOSA-N 2 2 374.485 0.758 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000246905519 488478427 /nfs/dbraw/zinc/47/84/27/488478427.db2.gz VSFSWHFUVKADRT-QYZOEREBSA-N 2 2 361.486 0.706 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000246905519 488478428 /nfs/dbraw/zinc/47/84/28/488478428.db2.gz VSFSWHFUVKADRT-QYZOEREBSA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000246905519 488478429 /nfs/dbraw/zinc/47/84/29/488478429.db2.gz VSFSWHFUVKADRT-QYZOEREBSA-N 2 2 361.486 0.706 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000246905519 488478430 /nfs/dbraw/zinc/47/84/30/488478430.db2.gz VSFSWHFUVKADRT-QYZOEREBSA-N 2 2 361.486 0.706 20 0 FCADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)CS(=O)(=O)CC ZINC000093414088 488479369 /nfs/dbraw/zinc/47/93/69/488479369.db2.gz WHFUFJZNGFAGRP-HNNXBMFYSA-N 2 2 369.535 0.874 20 0 FCADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)CS(=O)(=O)CC ZINC000093414088 488479371 /nfs/dbraw/zinc/47/93/71/488479371.db2.gz WHFUFJZNGFAGRP-HNNXBMFYSA-N 2 2 369.535 0.874 20 0 FCADLP CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000247028035 488480115 /nfs/dbraw/zinc/48/01/15/488480115.db2.gz UUNBNCIUNKBUIC-SJLPKXTDSA-N 2 2 373.501 0.919 20 0 FCADLP CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000247028035 488480118 /nfs/dbraw/zinc/48/01/18/488480118.db2.gz UUNBNCIUNKBUIC-SJLPKXTDSA-N 2 2 373.501 0.919 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247061297 488481350 /nfs/dbraw/zinc/48/13/50/488481350.db2.gz ZDAIFNFBPJHGMY-LSDHHAIUSA-N 2 2 360.524 0.231 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247061297 488481352 /nfs/dbraw/zinc/48/13/52/488481352.db2.gz ZDAIFNFBPJHGMY-LSDHHAIUSA-N 2 2 360.524 0.231 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000269322320 488491352 /nfs/dbraw/zinc/49/13/52/488491352.db2.gz NCCMEVKOXCLNOX-UHFFFAOYSA-N 2 2 361.446 0.329 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000248067488 488493266 /nfs/dbraw/zinc/49/32/66/488493266.db2.gz MIDJXTCMGAVQDE-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000248067488 488493269 /nfs/dbraw/zinc/49/32/69/488493269.db2.gz MIDJXTCMGAVQDE-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)N1CCCCC1 ZINC000248067488 488493272 /nfs/dbraw/zinc/49/32/72/488493272.db2.gz MIDJXTCMGAVQDE-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(=O)N1CCCCC1 ZINC000248067488 488493274 /nfs/dbraw/zinc/49/32/74/488493274.db2.gz MIDJXTCMGAVQDE-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCCN1CCOCC1 ZINC000097727423 488493498 /nfs/dbraw/zinc/49/34/98/488493498.db2.gz RDWVPXZIZWWJIL-IBGZPJMESA-N 2 2 354.539 0.437 20 0 FCADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCCN1CCOCC1 ZINC000097727423 488493499 /nfs/dbraw/zinc/49/34/99/488493499.db2.gz RDWVPXZIZWWJIL-IBGZPJMESA-N 2 2 354.539 0.437 20 0 FCADLP C[C@H]1C[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000097727423 488493500 /nfs/dbraw/zinc/49/35/00/488493500.db2.gz RDWVPXZIZWWJIL-IBGZPJMESA-N 2 2 354.539 0.437 20 0 FCADLP C[C@H]1C[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000097727423 488493502 /nfs/dbraw/zinc/49/35/02/488493502.db2.gz RDWVPXZIZWWJIL-IBGZPJMESA-N 2 2 354.539 0.437 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000103508568 488502428 /nfs/dbraw/zinc/50/24/28/488502428.db2.gz GNUBGUFGHHUEPM-HDICACEKSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCCCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000103508568 488502431 /nfs/dbraw/zinc/50/24/31/488502431.db2.gz GNUBGUFGHHUEPM-HDICACEKSA-N 2 2 369.554 0.813 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000103508602 488502864 /nfs/dbraw/zinc/50/28/64/488502864.db2.gz RATRFIGEQJDFEZ-GOSISDBHSA-N 2 2 369.554 0.670 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000103508602 488502866 /nfs/dbraw/zinc/50/28/66/488502866.db2.gz RATRFIGEQJDFEZ-GOSISDBHSA-N 2 2 369.554 0.670 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000103859208 488503005 /nfs/dbraw/zinc/50/30/05/488503005.db2.gz XRFUIKXAEAKSIM-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000103859208 488503007 /nfs/dbraw/zinc/50/30/07/488503007.db2.gz XRFUIKXAEAKSIM-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000104801318 488505929 /nfs/dbraw/zinc/50/59/29/488505929.db2.gz DSNJEMCQNRVFER-CABCVRRESA-N 2 2 353.511 0.711 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000104801318 488505934 /nfs/dbraw/zinc/50/59/34/488505934.db2.gz DSNJEMCQNRVFER-CABCVRRESA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000249257968 488508603 /nfs/dbraw/zinc/50/86/03/488508603.db2.gz HOODRVLCNRXVOA-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000249257968 488508606 /nfs/dbraw/zinc/50/86/06/488508606.db2.gz HOODRVLCNRXVOA-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000249257968 488508607 /nfs/dbraw/zinc/50/86/07/488508607.db2.gz HOODRVLCNRXVOA-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@H](CO)O1 ZINC000249257968 488508611 /nfs/dbraw/zinc/50/86/11/488508611.db2.gz HOODRVLCNRXVOA-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105233203 488508946 /nfs/dbraw/zinc/50/89/46/488508946.db2.gz WKHVRZIFRRJJCZ-CVEARBPZSA-N 2 2 356.511 0.896 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000249727646 488513912 /nfs/dbraw/zinc/51/39/12/488513912.db2.gz QXJJUDLEEFHJRZ-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000249727646 488513914 /nfs/dbraw/zinc/51/39/14/488513914.db2.gz QXJJUDLEEFHJRZ-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000249727646 488513916 /nfs/dbraw/zinc/51/39/16/488513916.db2.gz QXJJUDLEEFHJRZ-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000249727646 488513917 /nfs/dbraw/zinc/51/39/17/488513917.db2.gz QXJJUDLEEFHJRZ-SFHVURJKSA-N 2 2 358.486 0.979 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000252480544 488517914 /nfs/dbraw/zinc/51/79/14/488517914.db2.gz BDOZGMXNIRVJEY-SJORKVTESA-N 2 2 360.506 0.546 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000252480544 488517915 /nfs/dbraw/zinc/51/79/15/488517915.db2.gz BDOZGMXNIRVJEY-SJORKVTESA-N 2 2 360.506 0.546 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000252480543 488518001 /nfs/dbraw/zinc/51/80/01/488518001.db2.gz BDOZGMXNIRVJEY-IRXDYDNUSA-N 2 2 360.506 0.546 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(c4cc(C)nn4C)C3=O)C2)CC1 ZINC000252480543 488518002 /nfs/dbraw/zinc/51/80/02/488518002.db2.gz BDOZGMXNIRVJEY-IRXDYDNUSA-N 2 2 360.506 0.546 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000108562657 488519677 /nfs/dbraw/zinc/51/96/77/488519677.db2.gz HYIRRZUFVUURGF-DOTOQJQBSA-N 2 2 356.536 0.835 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000108562657 488519678 /nfs/dbraw/zinc/51/96/78/488519678.db2.gz HYIRRZUFVUURGF-DOTOQJQBSA-N 2 2 356.536 0.835 20 0 FCADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000109947718 488524383 /nfs/dbraw/zinc/52/43/83/488524383.db2.gz SCXGYSIVXMUOQF-UHFFFAOYSA-N 2 2 363.481 0.311 20 0 FCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000111240588 488529109 /nfs/dbraw/zinc/52/91/09/488529109.db2.gz HFMKVOQNKVJSFY-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000111240588 488529110 /nfs/dbraw/zinc/52/91/10/488529110.db2.gz HFMKVOQNKVJSFY-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111559748 488530142 /nfs/dbraw/zinc/53/01/42/488530142.db2.gz MXDANBGFZWOVCC-INIZCTEOSA-N 2 2 358.486 0.666 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000111559748 488530143 /nfs/dbraw/zinc/53/01/43/488530143.db2.gz MXDANBGFZWOVCC-INIZCTEOSA-N 2 2 358.486 0.666 20 0 FCADLP CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261684065 488530362 /nfs/dbraw/zinc/53/03/62/488530362.db2.gz ABFMAHPRESBNGB-QGZVFWFLSA-N 2 2 352.504 0.716 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705316 488532044 /nfs/dbraw/zinc/53/20/44/488532044.db2.gz PDMOJMBVGNFVLD-VXGBXAGGSA-N 2 2 350.385 0.245 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705316 488532046 /nfs/dbraw/zinc/53/20/46/488532046.db2.gz PDMOJMBVGNFVLD-VXGBXAGGSA-N 2 2 350.385 0.245 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000112745591 488536343 /nfs/dbraw/zinc/53/63/43/488536343.db2.gz JJMGBRRJTUFTPI-KRWDZBQOSA-N 2 2 356.536 0.932 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000112921523 488536788 /nfs/dbraw/zinc/53/67/88/488536788.db2.gz GVQLZPTVAHKSIV-UHFFFAOYSA-N 2 2 359.474 0.965 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000112921523 488536791 /nfs/dbraw/zinc/53/67/91/488536791.db2.gz GVQLZPTVAHKSIV-UHFFFAOYSA-N 2 2 359.474 0.965 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261829667 488537781 /nfs/dbraw/zinc/53/77/81/488537781.db2.gz JGSPGNOJOJFNTL-SJORKVTESA-N 2 2 350.507 0.921 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000113598490 488538763 /nfs/dbraw/zinc/53/87/63/488538763.db2.gz REGNXRVQDYDBMK-DLBZAZTESA-N 2 2 373.505 0.477 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000113598490 488538764 /nfs/dbraw/zinc/53/87/64/488538764.db2.gz REGNXRVQDYDBMK-DLBZAZTESA-N 2 2 373.505 0.477 20 0 FCADLP COC(=O)c1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000271754589 488544320 /nfs/dbraw/zinc/54/43/20/488544320.db2.gz ZNSKYVKFIJKNRG-UHFFFAOYSA-N 2 2 373.475 0.713 20 0 FCADLP COC(=O)c1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000271754589 488544321 /nfs/dbraw/zinc/54/43/21/488544321.db2.gz ZNSKYVKFIJKNRG-UHFFFAOYSA-N 2 2 373.475 0.713 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1)N1CC[NH2+]CC1 ZINC000262198726 488556503 /nfs/dbraw/zinc/55/65/03/488556503.db2.gz SDYVHAJANVNDEE-UHFFFAOYSA-N 2 2 366.412 0.545 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000119915071 488559063 /nfs/dbraw/zinc/55/90/63/488559063.db2.gz CWBDXTSCDPTXGE-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP [NH3+]Cc1nc(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)no1 ZINC000262317695 488563795 /nfs/dbraw/zinc/56/37/95/488563795.db2.gz ZWPOYIGPJOITSJ-UHFFFAOYSA-N 2 2 362.409 0.215 20 0 FCADLP COCC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000262366177 488566482 /nfs/dbraw/zinc/56/64/82/488566482.db2.gz LDGHXTLVGQYGTH-KRWDZBQOSA-N 2 2 357.520 0.327 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262430520 488569889 /nfs/dbraw/zinc/56/98/89/488569889.db2.gz WMSBZJXRBKZMQI-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262430520 488569891 /nfs/dbraw/zinc/56/98/91/488569891.db2.gz WMSBZJXRBKZMQI-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000121778091 488571265 /nfs/dbraw/zinc/57/12/65/488571265.db2.gz HVWRFQPUTKHUPT-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP CSC[C@H](O)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000562999358 491207266 /nfs/dbraw/zinc/20/72/66/491207266.db2.gz KZTWWHCEIPDQBG-HUUCEWRRSA-N 2 2 367.519 0.596 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000124931506 488596699 /nfs/dbraw/zinc/59/66/99/488596699.db2.gz VUIRMPOYDIOPRC-OAHLLOKOSA-N 2 2 352.504 0.940 20 0 FCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000124931506 488596702 /nfs/dbraw/zinc/59/67/02/488596702.db2.gz VUIRMPOYDIOPRC-OAHLLOKOSA-N 2 2 352.504 0.940 20 0 FCADLP C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000125194160 488598800 /nfs/dbraw/zinc/59/88/00/488598800.db2.gz HYIOWORCCIXWHR-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H](COC)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127187921 488615011 /nfs/dbraw/zinc/61/50/11/488615011.db2.gz ICDQUENPVNQHRI-HNNXBMFYSA-N 2 2 356.492 0.548 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCn1cc[nH+]c1 ZINC000263734718 488623024 /nfs/dbraw/zinc/62/30/24/488623024.db2.gz RPXIFDYJQLRNFH-OAHLLOKOSA-N 2 2 350.467 0.515 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCCn1cc[nH+]c1 ZINC000263734718 488623025 /nfs/dbraw/zinc/62/30/25/488623025.db2.gz RPXIFDYJQLRNFH-OAHLLOKOSA-N 2 2 350.467 0.515 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000563073837 491212894 /nfs/dbraw/zinc/21/28/94/491212894.db2.gz RJMXZVKDHDGJML-KBPBESRZSA-N 2 2 354.401 0.552 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000273052593 488627863 /nfs/dbraw/zinc/62/78/63/488627863.db2.gz HYGTWTNLVNUFCE-QGZVFWFLSA-N 2 2 371.485 0.947 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000273093817 488631220 /nfs/dbraw/zinc/63/12/20/488631220.db2.gz KCACKJVCNFOXOW-MRXNPFEDSA-N 2 2 353.438 0.676 20 0 FCADLP CN1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)(C)C1=O ZINC000129845007 488634042 /nfs/dbraw/zinc/63/40/42/488634042.db2.gz MQEBXGTWCZZVKF-UHFFFAOYSA-N 2 2 359.474 0.673 20 0 FCADLP CN1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)(C)C1=O ZINC000129845007 488634043 /nfs/dbraw/zinc/63/40/43/488634043.db2.gz MQEBXGTWCZZVKF-UHFFFAOYSA-N 2 2 359.474 0.673 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000130957204 488641951 /nfs/dbraw/zinc/64/19/51/488641951.db2.gz LZDKDMYBIYQLBZ-DZGCQCFKSA-N 2 2 356.492 0.547 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000130957204 488641952 /nfs/dbraw/zinc/64/19/52/488641952.db2.gz LZDKDMYBIYQLBZ-DZGCQCFKSA-N 2 2 356.492 0.547 20 0 FCADLP COC(=O)c1coc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000273353548 488646002 /nfs/dbraw/zinc/64/60/02/488646002.db2.gz BKKKCPAUIWVEFN-AWEZNQCLSA-N 2 2 351.403 0.089 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264240987 488657226 /nfs/dbraw/zinc/65/72/26/488657226.db2.gz OJRBTJYOUFBGMQ-IBGZPJMESA-N 2 2 360.502 0.766 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000133088571 488657383 /nfs/dbraw/zinc/65/73/83/488657383.db2.gz ISPUYLZEXSJCAL-AWEZNQCLSA-N 2 2 356.536 0.531 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264242875 488657740 /nfs/dbraw/zinc/65/77/40/488657740.db2.gz XJQRRAMEUOYHJR-UHFFFAOYSA-N 2 2 358.450 0.222 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264251422 488657966 /nfs/dbraw/zinc/65/79/66/488657966.db2.gz YRRQMBKTAAKJLG-UHFFFAOYSA-N 2 2 370.457 0.807 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264436689 488673898 /nfs/dbraw/zinc/67/38/98/488673898.db2.gz PNVMJSJFLQZKJU-YLJYHZDGSA-N 2 2 374.529 0.937 20 0 FCADLP Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135571422 488674050 /nfs/dbraw/zinc/67/40/50/488674050.db2.gz DLBCYUKGGAQSGI-INIZCTEOSA-N 2 2 363.506 0.956 20 0 FCADLP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135571422 488674053 /nfs/dbraw/zinc/67/40/53/488674053.db2.gz DLBCYUKGGAQSGI-INIZCTEOSA-N 2 2 363.506 0.956 20 0 FCADLP C[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000137312627 488680890 /nfs/dbraw/zinc/68/08/90/488680890.db2.gz RLWOASGELLHXCV-RDJZCZTQSA-N 2 2 362.474 0.815 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cn21 ZINC000264572091 488686796 /nfs/dbraw/zinc/68/67/96/488686796.db2.gz ZYTASERBKZFBFZ-OAHLLOKOSA-N 2 2 358.446 0.782 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cn21 ZINC000264572091 488686798 /nfs/dbraw/zinc/68/67/98/488686798.db2.gz ZYTASERBKZFBFZ-OAHLLOKOSA-N 2 2 358.446 0.782 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698448 488699819 /nfs/dbraw/zinc/69/98/19/488699819.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698448 488699821 /nfs/dbraw/zinc/69/98/21/488699821.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698448 488699824 /nfs/dbraw/zinc/69/98/24/488699824.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000264698448 488699826 /nfs/dbraw/zinc/69/98/26/488699826.db2.gz GLYSDPXMCTWTIL-LPHOPBHVSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150817337 488700034 /nfs/dbraw/zinc/70/00/34/488700034.db2.gz FDTCQUNASLBCHJ-ZWKOTPCHSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150817337 488700036 /nfs/dbraw/zinc/70/00/36/488700036.db2.gz FDTCQUNASLBCHJ-ZWKOTPCHSA-N 2 2 372.517 0.931 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCN1CCOCC1 ZINC000264816055 488715240 /nfs/dbraw/zinc/71/52/40/488715240.db2.gz CJKNIPISLJPEMT-UHFFFAOYSA-N 2 2 361.490 0.384 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCN1CCOCC1 ZINC000264816055 488715242 /nfs/dbraw/zinc/71/52/42/488715242.db2.gz CJKNIPISLJPEMT-UHFFFAOYSA-N 2 2 361.490 0.384 20 0 FCADLP CCC[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000152509647 488718741 /nfs/dbraw/zinc/71/87/41/488718741.db2.gz FNQCZVZMYVMYQP-HNNXBMFYSA-N 2 2 350.467 0.326 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3nnc(-c4ccco4)o3)C2)CC1 ZINC000153179307 488728146 /nfs/dbraw/zinc/72/81/46/488728146.db2.gz DZZXKHUUMVQPTK-AWEZNQCLSA-N 2 2 374.445 0.980 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3nnc(-c4ccco4)o3)C2)CC1 ZINC000153179307 488728147 /nfs/dbraw/zinc/72/81/47/488728147.db2.gz DZZXKHUUMVQPTK-AWEZNQCLSA-N 2 2 374.445 0.980 20 0 FCADLP COc1c(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)nn1C ZINC000153684690 488734355 /nfs/dbraw/zinc/73/43/55/488734355.db2.gz LUILXMNXQQAARL-UHFFFAOYSA-N 2 2 352.483 0.562 20 0 FCADLP C[C@@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798142 488735159 /nfs/dbraw/zinc/73/51/59/488735159.db2.gz RFYCWLMTBANJCU-YJBOKZPZSA-N 2 2 363.527 0.959 20 0 FCADLP C[C@@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798142 488735160 /nfs/dbraw/zinc/73/51/60/488735160.db2.gz RFYCWLMTBANJCU-YJBOKZPZSA-N 2 2 363.527 0.959 20 0 FCADLP COC(=O)CCNC(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154047026 488738159 /nfs/dbraw/zinc/73/81/59/488738159.db2.gz VCSPAXIEGQOKHU-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CSC[C@H](CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000154329898 488741407 /nfs/dbraw/zinc/74/14/07/488741407.db2.gz LLNHODITBQUHBO-HNNXBMFYSA-N 2 2 358.552 0.958 20 0 FCADLP Nc1c(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000266904498 488742376 /nfs/dbraw/zinc/74/23/76/488742376.db2.gz HNRYWFJOZNRPRU-SNVBAGLBSA-N 2 2 358.402 0.651 20 0 FCADLP Nc1c(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000266904498 488742379 /nfs/dbraw/zinc/74/23/79/488742379.db2.gz HNRYWFJOZNRPRU-SNVBAGLBSA-N 2 2 358.402 0.651 20 0 FCADLP C[C@@H](CS(C)(=O)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000266918481 488743933 /nfs/dbraw/zinc/74/39/33/488743933.db2.gz HFJZVWVEKGHGRI-HNNXBMFYSA-N 2 2 368.503 0.391 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266941228 488746339 /nfs/dbraw/zinc/74/63/39/488746339.db2.gz RDGWPXXXPNDADJ-AWEZNQCLSA-N 2 2 363.462 0.332 20 0 FCADLP C[NH+]1CCC(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000155028860 488749683 /nfs/dbraw/zinc/74/96/83/488749683.db2.gz ZGYIJJMIWRRMKX-UHFFFAOYSA-N 2 2 374.489 0.514 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000155366373 488754877 /nfs/dbraw/zinc/75/48/77/488754877.db2.gz YNKRKARVIFCXHY-HNNXBMFYSA-N 2 2 360.458 0.613 20 0 FCADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000275039559 488755412 /nfs/dbraw/zinc/75/54/12/488755412.db2.gz XYVIZCIMYDJODT-GOSISDBHSA-N 2 2 367.453 0.968 20 0 FCADLP [NH3+]C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000155749109 488758937 /nfs/dbraw/zinc/75/89/37/488758937.db2.gz BEVPNLBSMZEYTR-DLBZAZTESA-N 2 2 366.506 0.191 20 0 FCADLP O=C(CCC1CC[NH2+]CC1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000155865521 488759576 /nfs/dbraw/zinc/75/95/76/488759576.db2.gz MHESPSFUKBXHAF-UHFFFAOYSA-N 2 2 350.507 0.923 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000156009259 488761526 /nfs/dbraw/zinc/76/15/26/488761526.db2.gz AFHGLCBZWQSEGG-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000156009259 488761528 /nfs/dbraw/zinc/76/15/28/488761528.db2.gz AFHGLCBZWQSEGG-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000156316378 488764003 /nfs/dbraw/zinc/76/40/03/488764003.db2.gz QQLAMHZCOCOXOA-KRWDZBQOSA-N 2 2 362.474 0.724 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000156316378 488764005 /nfs/dbraw/zinc/76/40/05/488764005.db2.gz QQLAMHZCOCOXOA-KRWDZBQOSA-N 2 2 362.474 0.724 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158737938 488780059 /nfs/dbraw/zinc/78/00/59/488780059.db2.gz NYAGCYOEYVWWDK-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158737938 488780060 /nfs/dbraw/zinc/78/00/60/488780060.db2.gz NYAGCYOEYVWWDK-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158737938 488780062 /nfs/dbraw/zinc/78/00/62/488780062.db2.gz NYAGCYOEYVWWDK-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158737938 488780064 /nfs/dbraw/zinc/78/00/64/488780064.db2.gz NYAGCYOEYVWWDK-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000267523898 488793694 /nfs/dbraw/zinc/79/36/94/488793694.db2.gz QYNBEJTWDWBYOD-UHFFFAOYSA-N 2 2 373.501 0.636 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000267523898 488793695 /nfs/dbraw/zinc/79/36/95/488793695.db2.gz QYNBEJTWDWBYOD-UHFFFAOYSA-N 2 2 373.501 0.636 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000278085617 488799539 /nfs/dbraw/zinc/79/95/39/488799539.db2.gz YDAALXNGQMRRGD-LJQANCHMSA-N 2 2 372.513 0.956 20 0 FCADLP CCOc1ccccc1[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])NC(C)=O ZINC000162366520 488802269 /nfs/dbraw/zinc/80/22/69/488802269.db2.gz QPONSJASAJRDJC-DOTOQJQBSA-N 2 2 362.474 0.754 20 0 FCADLP CCOc1ccccc1[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])NC(C)=O ZINC000162366520 488802272 /nfs/dbraw/zinc/80/22/72/488802272.db2.gz QPONSJASAJRDJC-DOTOQJQBSA-N 2 2 362.474 0.754 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171100891 488819753 /nfs/dbraw/zinc/81/97/53/488819753.db2.gz JYVNQARQKOIRNI-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171100891 488819754 /nfs/dbraw/zinc/81/97/54/488819754.db2.gz JYVNQARQKOIRNI-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171100891 488819756 /nfs/dbraw/zinc/81/97/56/488819756.db2.gz JYVNQARQKOIRNI-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171100891 488819757 /nfs/dbraw/zinc/81/97/57/488819757.db2.gz JYVNQARQKOIRNI-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP COCC[N@H+](C)CCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000171214051 488821320 /nfs/dbraw/zinc/82/13/20/488821320.db2.gz HSIDBGASYZRSGI-UHFFFAOYSA-N 2 2 374.489 0.740 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000171214051 488821321 /nfs/dbraw/zinc/82/13/21/488821321.db2.gz HSIDBGASYZRSGI-UHFFFAOYSA-N 2 2 374.489 0.740 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000171658684 488825618 /nfs/dbraw/zinc/82/56/18/488825618.db2.gz DZVFVYLMOJVVAG-UHFFFAOYSA-N 2 2 363.487 0.874 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171707390 488826182 /nfs/dbraw/zinc/82/61/82/488826182.db2.gz XKFUTQHWXVJWMG-YESZJQIVSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171707390 488826184 /nfs/dbraw/zinc/82/61/84/488826184.db2.gz XKFUTQHWXVJWMG-YESZJQIVSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171707390 488826185 /nfs/dbraw/zinc/82/61/85/488826185.db2.gz XKFUTQHWXVJWMG-YESZJQIVSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171707390 488826187 /nfs/dbraw/zinc/82/61/87/488826187.db2.gz XKFUTQHWXVJWMG-YESZJQIVSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCN1CCOCC1 ZINC000172253676 488831894 /nfs/dbraw/zinc/83/18/94/488831894.db2.gz MGVJDTNNRILKRI-KRWDZBQOSA-N 2 2 361.490 0.383 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCN1CCOCC1 ZINC000172253676 488831896 /nfs/dbraw/zinc/83/18/96/488831896.db2.gz MGVJDTNNRILKRI-KRWDZBQOSA-N 2 2 361.490 0.383 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000172459074 488834402 /nfs/dbraw/zinc/83/44/02/488834402.db2.gz FZBKNHDTRVYGCE-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000172459074 488834403 /nfs/dbraw/zinc/83/44/03/488834403.db2.gz FZBKNHDTRVYGCE-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP Cn1c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nc2ccccc21 ZINC000172697755 488836632 /nfs/dbraw/zinc/83/66/32/488836632.db2.gz CLBXPIWBKAYPJH-HNNXBMFYSA-N 2 2 357.458 0.596 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174691237 488850579 /nfs/dbraw/zinc/85/05/79/488850579.db2.gz ZMKOKRANFUNYCH-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174691237 488850580 /nfs/dbraw/zinc/85/05/80/488850580.db2.gz ZMKOKRANFUNYCH-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000174691038 488850674 /nfs/dbraw/zinc/85/06/74/488850674.db2.gz QUWHRHJGEMJLRD-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCN(C)CC1 ZINC000174691038 488850675 /nfs/dbraw/zinc/85/06/75/488850675.db2.gz QUWHRHJGEMJLRD-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000175557732 488854334 /nfs/dbraw/zinc/85/43/34/488854334.db2.gz VJLXFMXRDFVRNR-QGZVFWFLSA-N 2 2 367.538 0.914 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC000175557732 488854335 /nfs/dbraw/zinc/85/43/35/488854335.db2.gz VJLXFMXRDFVRNR-QGZVFWFLSA-N 2 2 367.538 0.914 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000175558938 488854436 /nfs/dbraw/zinc/85/44/36/488854436.db2.gz NKQRULRIWPIHKD-QGZVFWFLSA-N 2 2 356.511 0.897 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000175529649 488854494 /nfs/dbraw/zinc/85/44/94/488854494.db2.gz ZWPJTNTYMLWRJZ-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897826 488856330 /nfs/dbraw/zinc/85/63/30/488856330.db2.gz ZWWJSPODHIFVJH-BPQIPLTHSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897826 488856331 /nfs/dbraw/zinc/85/63/31/488856331.db2.gz ZWWJSPODHIFVJH-BPQIPLTHSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897826 488856332 /nfs/dbraw/zinc/85/63/32/488856332.db2.gz ZWWJSPODHIFVJH-BPQIPLTHSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175897826 488856333 /nfs/dbraw/zinc/85/63/33/488856333.db2.gz ZWWJSPODHIFVJH-BPQIPLTHSA-N 2 2 371.485 0.475 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000176480540 488858365 /nfs/dbraw/zinc/85/83/65/488858365.db2.gz YPZLAQFJRCJEKH-IBGZPJMESA-N 2 2 360.458 0.798 20 0 FCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH+]1CCNC(=O)[C@@H]1CCC ZINC000179533201 488861543 /nfs/dbraw/zinc/86/15/43/488861543.db2.gz PEGTUXZUXLFYJL-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH+]1CCNC(=O)[C@@H]1CCC ZINC000179533201 488861544 /nfs/dbraw/zinc/86/15/44/488861544.db2.gz PEGTUXZUXLFYJL-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[C@@H]1C(=O)NCC[NH+]1CCOCC[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000179533201 488861545 /nfs/dbraw/zinc/86/15/45/488861545.db2.gz PEGTUXZUXLFYJL-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[C@@H]1C(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)[C@@H]1CCC ZINC000179533201 488861546 /nfs/dbraw/zinc/86/15/46/488861546.db2.gz PEGTUXZUXLFYJL-IYBDPMFKSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136287 488973340 /nfs/dbraw/zinc/97/33/40/488973340.db2.gz CPCBBRROHKTZOJ-SUMWQHHRSA-N 2 2 367.519 0.646 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136287 488973343 /nfs/dbraw/zinc/97/33/43/488973343.db2.gz CPCBBRROHKTZOJ-SUMWQHHRSA-N 2 2 367.519 0.646 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000329164359 488976404 /nfs/dbraw/zinc/97/64/04/488976404.db2.gz GULQVTAWGMSMCY-GJZGRUSLSA-N 2 2 358.446 0.768 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329164359 488976405 /nfs/dbraw/zinc/97/64/05/488976405.db2.gz GULQVTAWGMSMCY-GJZGRUSLSA-N 2 2 358.446 0.768 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000554790512 491225286 /nfs/dbraw/zinc/22/52/86/491225286.db2.gz CKKRJURNYBMZEJ-UHFFFAOYSA-N 2 2 355.442 0.825 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000554797002 491225777 /nfs/dbraw/zinc/22/57/77/491225777.db2.gz UYEBROSDFRINRE-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000554797002 491225778 /nfs/dbraw/zinc/22/57/78/491225778.db2.gz UYEBROSDFRINRE-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000364706086 488989983 /nfs/dbraw/zinc/98/99/83/488989983.db2.gz NIXWKZSDAFHWFM-QGZVFWFLSA-N 2 2 367.453 0.889 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000288541198 488990738 /nfs/dbraw/zinc/99/07/38/488990738.db2.gz AGPKAAMRCZFPTM-SFHVURJKSA-N 2 2 358.486 0.639 20 0 FCADLP Cc1cccn2c(=O)cc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)nc12 ZINC000364725100 488992937 /nfs/dbraw/zinc/99/29/37/488992937.db2.gz SNAOZJFKHSSRPG-UHFFFAOYSA-N 2 2 372.469 0.662 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364726634 488993132 /nfs/dbraw/zinc/99/31/32/488993132.db2.gz YERFKEKAPIQAOW-CYBMUJFWSA-N 2 2 354.476 0.629 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000364751884 488996478 /nfs/dbraw/zinc/99/64/78/488996478.db2.gz VQYAWQGSWIEBSI-QGZVFWFLSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000364751884 488996479 /nfs/dbraw/zinc/99/64/79/488996479.db2.gz VQYAWQGSWIEBSI-QGZVFWFLSA-N 2 2 359.474 0.955 20 0 FCADLP O=C(NCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563202966 491226965 /nfs/dbraw/zinc/22/69/65/491226965.db2.gz KAHLJFOLUCNYFL-GASCZTMLSA-N 2 2 370.457 0.527 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509099 489011471 /nfs/dbraw/zinc/01/14/71/489011471.db2.gz JONJWUMCOHVJPL-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509099 489011474 /nfs/dbraw/zinc/01/14/74/489011474.db2.gz JONJWUMCOHVJPL-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509099 489011477 /nfs/dbraw/zinc/01/14/77/489011477.db2.gz JONJWUMCOHVJPL-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509099 489011480 /nfs/dbraw/zinc/01/14/80/489011480.db2.gz JONJWUMCOHVJPL-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000288803146 489017166 /nfs/dbraw/zinc/01/71/66/489017166.db2.gz FLCCFBNPFDVJDK-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000288803146 489017170 /nfs/dbraw/zinc/01/71/70/489017170.db2.gz FLCCFBNPFDVJDK-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000288803146 489017173 /nfs/dbraw/zinc/01/71/73/489017173.db2.gz FLCCFBNPFDVJDK-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000288803146 489017175 /nfs/dbraw/zinc/01/71/75/489017175.db2.gz FLCCFBNPFDVJDK-MOPGFXCFSA-N 2 2 359.518 0.801 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000288832653 489020353 /nfs/dbraw/zinc/02/03/53/489020353.db2.gz VDCKJRXOFBXWKK-HNNXBMFYSA-N 2 2 362.430 0.293 20 0 FCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329806093 489037722 /nfs/dbraw/zinc/03/77/22/489037722.db2.gz AXEROOYPTZDHDF-GJZGRUSLSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329806093 489037725 /nfs/dbraw/zinc/03/77/25/489037725.db2.gz AXEROOYPTZDHDF-GJZGRUSLSA-N 2 2 350.467 0.772 20 0 FCADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCN(c2cnccn2)CC1 ZINC000329832810 489040713 /nfs/dbraw/zinc/04/07/13/489040713.db2.gz LATLMMLGTORNEV-UHFFFAOYSA-N 2 2 355.446 0.728 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151695 489043426 /nfs/dbraw/zinc/04/34/26/489043426.db2.gz MRNKDDKBGZNWDB-AEFFLSMTSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151695 489043429 /nfs/dbraw/zinc/04/34/29/489043429.db2.gz MRNKDDKBGZNWDB-AEFFLSMTSA-N 2 2 352.523 0.630 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183470 489047379 /nfs/dbraw/zinc/04/73/79/489047379.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183470 489047384 /nfs/dbraw/zinc/04/73/84/489047384.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365183470 489047387 /nfs/dbraw/zinc/04/73/87/489047387.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365183470 489047390 /nfs/dbraw/zinc/04/73/90/489047390.db2.gz HUSFWXDVLZTYQN-QZTJIDSGSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCCO1 ZINC000289254605 489053296 /nfs/dbraw/zinc/05/32/96/489053296.db2.gz QHMYDZHIALBJKI-OAHLLOKOSA-N 2 2 373.457 0.568 20 0 FCADLP CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(N)=O ZINC000289283581 489055530 /nfs/dbraw/zinc/05/55/30/489055530.db2.gz GMFOGWRYITVROT-LJQANCHMSA-N 2 2 362.474 0.947 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000330115063 489070466 /nfs/dbraw/zinc/07/04/66/489070466.db2.gz FKCXCBKURWKOGG-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000330115063 489070467 /nfs/dbraw/zinc/07/04/67/489070467.db2.gz FKCXCBKURWKOGG-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)cn1 ZINC000330115063 489070468 /nfs/dbraw/zinc/07/04/68/489070468.db2.gz FKCXCBKURWKOGG-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)cn1 ZINC000330115063 489070469 /nfs/dbraw/zinc/07/04/69/489070469.db2.gz FKCXCBKURWKOGG-LSDHHAIUSA-N 2 2 359.474 0.634 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289597399 489080751 /nfs/dbraw/zinc/08/07/51/489080751.db2.gz ABOKYGOGLLRUAR-IRXDYDNUSA-N 2 2 363.458 0.765 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000289610873 489081402 /nfs/dbraw/zinc/08/14/02/489081402.db2.gz JLYRDLAXDOTVSS-UHFFFAOYSA-N 2 2 358.446 0.540 20 0 FCADLP CC1(C)CC(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC(C)(C)[NH2+]1 ZINC000668333751 493332458 /nfs/dbraw/zinc/33/24/58/493332458.db2.gz AJBPRJLENKYMMR-OAHLLOKOSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)CC1 ZINC000289875134 489099461 /nfs/dbraw/zinc/09/94/61/489099461.db2.gz RQOFWCUGPPTGKH-UHFFFAOYSA-N 2 2 350.488 0.833 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270931 489126406 /nfs/dbraw/zinc/12/64/06/489126406.db2.gz AEYIOSRCTOXCHD-FMKPAKJESA-N 2 2 357.458 0.375 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270931 489126408 /nfs/dbraw/zinc/12/64/08/489126408.db2.gz AEYIOSRCTOXCHD-FMKPAKJESA-N 2 2 357.458 0.375 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415919 489138239 /nfs/dbraw/zinc/13/82/39/489138239.db2.gz JJSADDJFZSOVGC-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415919 489138243 /nfs/dbraw/zinc/13/82/43/489138243.db2.gz JJSADDJFZSOVGC-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP OCc1cn(CCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)nn1 ZINC000290459784 489142291 /nfs/dbraw/zinc/14/22/91/489142291.db2.gz FKDZVBFTICVJQF-UHFFFAOYSA-N 2 2 351.374 0.797 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000366079338 489142673 /nfs/dbraw/zinc/14/26/73/489142673.db2.gz LRPLTLOXSXTQMI-ROUUACIJSA-N 2 2 367.538 0.517 20 0 FCADLP CS[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000330927877 489157975 /nfs/dbraw/zinc/15/79/75/489157975.db2.gz YRKRTUCFTGHVMS-KGLIPLIRSA-N 2 2 351.538 0.016 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290740515 489162419 /nfs/dbraw/zinc/16/24/19/489162419.db2.gz YTSLTXUVWZRHSS-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP CS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000282439359 489163845 /nfs/dbraw/zinc/16/38/45/489163845.db2.gz ZHSIFNLUWGBPOF-HNNXBMFYSA-N 2 2 366.487 0.239 20 0 FCADLP CS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000282439359 489163847 /nfs/dbraw/zinc/16/38/47/489163847.db2.gz ZHSIFNLUWGBPOF-HNNXBMFYSA-N 2 2 366.487 0.239 20 0 FCADLP COCC[NH2+]CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366326616 489171487 /nfs/dbraw/zinc/17/14/87/489171487.db2.gz RBKXMFQXOTZBIK-UHFFFAOYSA-N 3 2 354.539 0.877 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000570381812 491237071 /nfs/dbraw/zinc/23/70/71/491237071.db2.gz LKGIFOSWCQVFTC-HZPDHXFCSA-N 2 2 361.494 0.286 20 0 FCADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115163 489175137 /nfs/dbraw/zinc/17/51/37/489175137.db2.gz LLZQLSBCZLQKHJ-ZFWWWQNUSA-N 2 2 355.504 0.995 20 0 FCADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115163 489175141 /nfs/dbraw/zinc/17/51/41/489175141.db2.gz LLZQLSBCZLQKHJ-ZFWWWQNUSA-N 2 2 355.504 0.995 20 0 FCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000570390061 491237510 /nfs/dbraw/zinc/23/75/10/491237510.db2.gz HASGAIJZAGIQLE-AKBNIOSXSA-N 2 2 357.495 0.072 20 0 FCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000570390061 491237512 /nfs/dbraw/zinc/23/75/12/491237512.db2.gz HASGAIJZAGIQLE-AKBNIOSXSA-N 2 2 357.495 0.072 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366449887 489182767 /nfs/dbraw/zinc/18/27/67/489182767.db2.gz HOCBIKXFDZRFDC-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366465462 489185788 /nfs/dbraw/zinc/18/57/88/489185788.db2.gz XPMSBBYMHQKSHU-ZWKOTPCHSA-N 2 2 366.506 0.602 20 0 FCADLP C[NH+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366465462 489185792 /nfs/dbraw/zinc/18/57/92/489185792.db2.gz XPMSBBYMHQKSHU-ZWKOTPCHSA-N 2 2 366.506 0.602 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)CC2)c1 ZINC000282911052 489198377 /nfs/dbraw/zinc/19/83/77/489198377.db2.gz BNTGIJGPSIRWSU-INIZCTEOSA-N 2 2 372.429 0.209 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)CC2)c1 ZINC000282911052 489198382 /nfs/dbraw/zinc/19/83/82/489198382.db2.gz BNTGIJGPSIRWSU-INIZCTEOSA-N 2 2 372.429 0.209 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccccn1 ZINC000282952969 489201668 /nfs/dbraw/zinc/20/16/68/489201668.db2.gz DCNXRIQRUKJTJL-UHFFFAOYSA-N 2 2 361.490 0.225 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccccn1 ZINC000282952969 489201672 /nfs/dbraw/zinc/20/16/72/489201672.db2.gz DCNXRIQRUKJTJL-UHFFFAOYSA-N 2 2 361.490 0.225 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000283015338 489206596 /nfs/dbraw/zinc/20/65/96/489206596.db2.gz PUJKDHPQVFJFPX-ROUUACIJSA-N 2 2 355.442 0.972 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000283015338 489206601 /nfs/dbraw/zinc/20/66/01/489206601.db2.gz PUJKDHPQVFJFPX-ROUUACIJSA-N 2 2 355.442 0.972 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000283015338 489206603 /nfs/dbraw/zinc/20/66/03/489206603.db2.gz PUJKDHPQVFJFPX-ROUUACIJSA-N 2 2 355.442 0.972 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000283015338 489206605 /nfs/dbraw/zinc/20/66/05/489206605.db2.gz PUJKDHPQVFJFPX-ROUUACIJSA-N 2 2 355.442 0.972 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H]([NH+]3CC=CC3)C1)C2 ZINC000297555888 489208180 /nfs/dbraw/zinc/20/81/80/489208180.db2.gz CJPMXUUFTUTPDN-OAHLLOKOSA-N 2 2 371.485 0.901 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000332563651 489220340 /nfs/dbraw/zinc/22/03/40/489220340.db2.gz WGAPZBWXEBBCGO-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000297700863 489226359 /nfs/dbraw/zinc/22/63/59/489226359.db2.gz FWQNYHWQOJYDQB-YYIAUSFCSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000297700863 489226361 /nfs/dbraw/zinc/22/63/61/489226361.db2.gz FWQNYHWQOJYDQB-YYIAUSFCSA-N 2 2 359.474 0.845 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000555168124 491240628 /nfs/dbraw/zinc/24/06/28/491240628.db2.gz OISSIWISXIBLNW-LSDHHAIUSA-N 2 2 353.511 0.709 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000555168124 491240629 /nfs/dbraw/zinc/24/06/29/491240629.db2.gz OISSIWISXIBLNW-LSDHHAIUSA-N 2 2 353.511 0.709 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(C4OCCO4)CC3)C2)CC1 ZINC000369364418 489230671 /nfs/dbraw/zinc/23/06/71/489230671.db2.gz RQWISSKTMGAGOF-INIZCTEOSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(C4OCCO4)CC3)C2)CC1 ZINC000369364418 489230675 /nfs/dbraw/zinc/23/06/75/489230675.db2.gz RQWISSKTMGAGOF-INIZCTEOSA-N 2 2 366.506 0.949 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3ccccc3)CC2)CC1 ZINC000283235518 489231027 /nfs/dbraw/zinc/23/10/27/489231027.db2.gz KXWSWOUUIQPIGG-UHFFFAOYSA-N 2 2 358.486 0.978 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNC(=O)c3ccco3)C2)CC1 ZINC000369386494 489232053 /nfs/dbraw/zinc/23/20/53/489232053.db2.gz CBMNQKOUCZPMJD-AWEZNQCLSA-N 2 2 363.462 0.477 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNC(=O)c3ccco3)C2)CC1 ZINC000369386494 489232055 /nfs/dbraw/zinc/23/20/55/489232055.db2.gz CBMNQKOUCZPMJD-AWEZNQCLSA-N 2 2 363.462 0.477 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000297746866 489234234 /nfs/dbraw/zinc/23/42/34/489234234.db2.gz FUUGLVCIMZUBSE-QGZVFWFLSA-N 2 2 371.485 0.675 20 0 FCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000369424931 489234928 /nfs/dbraw/zinc/23/49/28/489234928.db2.gz JAXIPWNXNCUFBG-OAHLLOKOSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000369424931 489234931 /nfs/dbraw/zinc/23/49/31/489234931.db2.gz JAXIPWNXNCUFBG-OAHLLOKOSA-N 2 2 360.458 0.668 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283260035 489235030 /nfs/dbraw/zinc/23/50/30/489235030.db2.gz BSRFEUPSRUDISN-INIZCTEOSA-N 2 2 355.442 0.769 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283260035 489235033 /nfs/dbraw/zinc/23/50/33/489235033.db2.gz BSRFEUPSRUDISN-INIZCTEOSA-N 2 2 355.442 0.769 20 0 FCADLP COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000369464692 489240688 /nfs/dbraw/zinc/24/06/88/489240688.db2.gz RQPBMRJDEOTENH-PVAVHDDUSA-N 2 2 354.495 0.648 20 0 FCADLP COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000369464692 489240692 /nfs/dbraw/zinc/24/06/92/489240692.db2.gz RQPBMRJDEOTENH-PVAVHDDUSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000369492140 489245057 /nfs/dbraw/zinc/24/50/57/489245057.db2.gz UIWOGIFNKOLWIS-KZNAEPCWSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524085 489248520 /nfs/dbraw/zinc/24/85/20/489248520.db2.gz ZMQKFPDWKZERAH-IRXDYDNUSA-N 3 2 367.538 0.422 20 0 FCADLP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000369524085 489248522 /nfs/dbraw/zinc/24/85/22/489248522.db2.gz ZMQKFPDWKZERAH-IRXDYDNUSA-N 3 2 367.538 0.422 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000369523804 489248575 /nfs/dbraw/zinc/24/85/75/489248575.db2.gz XTBQFEWGJOYSHN-IKGGRYGDSA-N 2 2 354.495 0.195 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332986284 489254647 /nfs/dbraw/zinc/25/46/47/489254647.db2.gz VXFNAMXDDCLYEY-DLBZAZTESA-N 2 2 368.522 0.774 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332986284 489254648 /nfs/dbraw/zinc/25/46/48/489254648.db2.gz VXFNAMXDDCLYEY-DLBZAZTESA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCOC[C@H]3CCOC3)C2)CC1 ZINC000369585137 489255183 /nfs/dbraw/zinc/25/51/83/489255183.db2.gz QOYGMLUWMKXKKM-SJORKVTESA-N 2 2 368.522 0.897 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCOC[C@H]3CCOC3)C2)CC1 ZINC000369585137 489255187 /nfs/dbraw/zinc/25/51/87/489255187.db2.gz QOYGMLUWMKXKKM-SJORKVTESA-N 2 2 368.522 0.897 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc(-n4ccnn4)c3)CC2)CC1 ZINC000283418696 489256721 /nfs/dbraw/zinc/25/67/21/489256721.db2.gz IISBGTKTETYHCC-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297892542 489259050 /nfs/dbraw/zinc/25/90/50/489259050.db2.gz PJEHOMQZUMYDGH-UHFFFAOYSA-N 2 2 356.430 0.475 20 0 FCADLP CC(C)OC1CC([NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000333568227 489262493 /nfs/dbraw/zinc/26/24/93/489262493.db2.gz IBMMMVZQABYJQD-UHFFFAOYSA-N 2 2 360.524 0.052 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000297933096 489264981 /nfs/dbraw/zinc/26/49/81/489264981.db2.gz JPYOVUVUCXJPLC-OAHLLOKOSA-N 2 2 361.446 0.538 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000297933096 489264984 /nfs/dbraw/zinc/26/49/84/489264984.db2.gz JPYOVUVUCXJPLC-OAHLLOKOSA-N 2 2 361.446 0.538 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334004109 489265562 /nfs/dbraw/zinc/26/55/62/489265562.db2.gz VWLLKFPADUGTLQ-HZPDHXFCSA-N 2 2 353.511 0.426 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334004109 489265567 /nfs/dbraw/zinc/26/55/67/489265567.db2.gz VWLLKFPADUGTLQ-HZPDHXFCSA-N 2 2 353.511 0.426 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000369700105 489266579 /nfs/dbraw/zinc/26/65/79/489266579.db2.gz MGVZDLQSOMHKMY-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000297971008 489270943 /nfs/dbraw/zinc/27/09/43/489270943.db2.gz XIACVFLUSKHAAP-MRXNPFEDSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000297971008 489270946 /nfs/dbraw/zinc/27/09/46/489270946.db2.gz XIACVFLUSKHAAP-MRXNPFEDSA-N 2 2 373.501 0.839 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[NH+]1CCOCC1 ZINC000283590895 489278980 /nfs/dbraw/zinc/27/89/80/489278980.db2.gz PVZYZJKMNWFWOM-OAHLLOKOSA-N 2 2 365.478 0.290 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000283604793 489280654 /nfs/dbraw/zinc/28/06/54/489280654.db2.gz PNBGMGCJKJBYDE-INIZCTEOSA-N 2 2 361.421 0.948 20 0 FCADLP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283608539 489280769 /nfs/dbraw/zinc/28/07/69/489280769.db2.gz PYLTVLVPVXEMMA-UHFFFAOYSA-N 2 2 373.457 0.646 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000298082384 489287914 /nfs/dbraw/zinc/28/79/14/489287914.db2.gz SXGPWOOOGLBLIW-UHFFFAOYSA-N 2 2 365.478 0.301 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082641 489288043 /nfs/dbraw/zinc/28/80/43/489288043.db2.gz SZFIWPXFJQPRQH-CVEARBPZSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298082641 489288045 /nfs/dbraw/zinc/28/80/45/489288045.db2.gz SZFIWPXFJQPRQH-CVEARBPZSA-N 2 2 359.474 0.529 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CCN2C1=O ZINC000563459154 491249170 /nfs/dbraw/zinc/24/91/70/491249170.db2.gz VLGRSAJACOMEGY-DLBZAZTESA-N 2 2 368.441 0.385 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1(C)C ZINC000370021839 489304487 /nfs/dbraw/zinc/30/44/87/489304487.db2.gz ROIILEJYIVOSLP-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1(C)C ZINC000370021839 489304488 /nfs/dbraw/zinc/30/44/88/489304488.db2.gz ROIILEJYIVOSLP-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H](C)C[NH3+])CC2)cc(OC)c1OC ZINC000285825033 489323060 /nfs/dbraw/zinc/32/30/60/489323060.db2.gz UHLDFLZNKUZLFU-ZDUSSCGKSA-N 2 2 351.447 0.951 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000285867738 489328269 /nfs/dbraw/zinc/32/82/69/489328269.db2.gz KTLSQHNTXVNBIH-LSDHHAIUSA-N 2 2 363.462 0.548 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000570550220 491248746 /nfs/dbraw/zinc/24/87/46/491248746.db2.gz OWARHESXRGGBRM-LSDHHAIUSA-N 2 2 354.495 0.189 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)C[NH+]1CCOCC1 ZINC000285902131 489332048 /nfs/dbraw/zinc/33/20/48/489332048.db2.gz MYBATPXEZAKVDS-AWEZNQCLSA-N 2 2 359.430 0.035 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCCCn3cc[nH+]c3)cn2)CC1 ZINC000298563288 489338062 /nfs/dbraw/zinc/33/80/62/489338062.db2.gz SKTUBPFXMKNAGW-UHFFFAOYSA-N 2 2 357.462 0.919 20 0 FCADLP C[C@@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000350672683 489343830 /nfs/dbraw/zinc/34/38/30/489343830.db2.gz LJWSICLWKMPDSY-ZNMIVQPWSA-N 2 2 365.478 0.994 20 0 FCADLP C[C@@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000350672683 489343833 /nfs/dbraw/zinc/34/38/33/489343833.db2.gz LJWSICLWKMPDSY-ZNMIVQPWSA-N 2 2 365.478 0.994 20 0 FCADLP C[C@H](c1nc(CC(=O)NCC[NH+]2CCOCC2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000350672682 489343911 /nfs/dbraw/zinc/34/39/11/489343911.db2.gz LJWSICLWKMPDSY-RBSFLKMASA-N 2 2 365.478 0.994 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000563477883 491250407 /nfs/dbraw/zinc/25/04/07/491250407.db2.gz ROOBREKXMZOVKR-CZUORRHYSA-N 2 2 360.462 0.589 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)CC1 ZINC000370530335 489371010 /nfs/dbraw/zinc/37/10/10/489371010.db2.gz CVOXEXYFYHHKLO-MRXNPFEDSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH+](CC(C)(C)O)CC3)C2)CC1 ZINC000370530335 489371015 /nfs/dbraw/zinc/37/10/15/489371015.db2.gz CVOXEXYFYHHKLO-MRXNPFEDSA-N 3 2 367.538 0.253 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000286240997 489373208 /nfs/dbraw/zinc/37/32/08/489373208.db2.gz UUCCBLYMKJESGF-CQSZACIVSA-N 2 2 355.442 0.599 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000286240997 489373212 /nfs/dbraw/zinc/37/32/12/489373212.db2.gz UUCCBLYMKJESGF-CQSZACIVSA-N 2 2 355.442 0.599 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000286436181 489391315 /nfs/dbraw/zinc/39/13/15/489391315.db2.gz HQMNUXIEIIZXKL-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1c2ccccc2OCC1=O ZINC000299035775 489397960 /nfs/dbraw/zinc/39/79/60/489397960.db2.gz FJNHWGORMCZYLQ-UHFFFAOYSA-N 2 2 374.485 0.896 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1c2ccccc2OCC1=O ZINC000299035775 489397964 /nfs/dbraw/zinc/39/79/64/489397964.db2.gz FJNHWGORMCZYLQ-UHFFFAOYSA-N 2 2 374.485 0.896 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286532279 489401706 /nfs/dbraw/zinc/40/17/06/489401706.db2.gz IAUOVIICNHLYEO-GJZGRUSLSA-N 2 2 365.478 0.313 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000286739971 489423117 /nfs/dbraw/zinc/42/31/17/489423117.db2.gz HDJSJYAQKUEONA-CKEIUWERSA-N 2 2 362.478 0.913 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000286739971 489423119 /nfs/dbraw/zinc/42/31/19/489423119.db2.gz HDJSJYAQKUEONA-CKEIUWERSA-N 2 2 362.478 0.913 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000286743355 489424285 /nfs/dbraw/zinc/42/42/85/489424285.db2.gz GKOVARYSMUQZKG-QLFBSQMISA-N 2 2 363.462 0.137 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000286743355 489424287 /nfs/dbraw/zinc/42/42/87/489424287.db2.gz GKOVARYSMUQZKG-QLFBSQMISA-N 2 2 363.462 0.137 20 0 FCADLP COC(=O)C[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363105551 489424907 /nfs/dbraw/zinc/42/49/07/489424907.db2.gz UVYOINMBRQYURG-GOEBONIOSA-N 2 2 352.479 0.892 20 0 FCADLP COC(=O)C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363105551 489424909 /nfs/dbraw/zinc/42/49/09/489424909.db2.gz UVYOINMBRQYURG-GOEBONIOSA-N 2 2 352.479 0.892 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000286923075 489443598 /nfs/dbraw/zinc/44/35/98/489443598.db2.gz MHOSZYZTLVDHGX-UHFFFAOYSA-N 2 2 350.467 0.045 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000286923075 489443602 /nfs/dbraw/zinc/44/36/02/489443602.db2.gz MHOSZYZTLVDHGX-UHFFFAOYSA-N 2 2 350.467 0.045 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000286990712 489449777 /nfs/dbraw/zinc/44/97/77/489449777.db2.gz PSDODROILJRMAN-HIFRSBDPSA-N 2 2 373.461 0.409 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000287022426 489453293 /nfs/dbraw/zinc/45/32/93/489453293.db2.gz IIESJGMLBGXFKP-OAHLLOKOSA-N 2 2 363.462 0.126 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617438 491258823 /nfs/dbraw/zinc/25/88/23/491258823.db2.gz DRRPTNAXOUCQED-AKHDSKFASA-N 3 2 356.555 0.320 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563617438 491258825 /nfs/dbraw/zinc/25/88/25/491258825.db2.gz DRRPTNAXOUCQED-AKHDSKFASA-N 3 2 356.555 0.320 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000563559782 491254820 /nfs/dbraw/zinc/25/48/20/491254820.db2.gz AJUXWISVWXLTIZ-MRXNPFEDSA-N 2 2 360.437 0.853 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000563581466 491256081 /nfs/dbraw/zinc/25/60/81/491256081.db2.gz JGSXRUKCSJMQLY-HUUCEWRRSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C[NH3+])C1 ZINC000563581466 491256082 /nfs/dbraw/zinc/25/60/82/491256082.db2.gz JGSXRUKCSJMQLY-HUUCEWRRSA-N 2 2 365.865 0.730 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423135449 489496343 /nfs/dbraw/zinc/49/63/43/489496343.db2.gz UAZZRMIHLZODSN-KRWDZBQOSA-N 3 2 369.554 0.303 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423135449 489496345 /nfs/dbraw/zinc/49/63/45/489496345.db2.gz UAZZRMIHLZODSN-KRWDZBQOSA-N 3 2 369.554 0.303 20 0 FCADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423201019 489501996 /nfs/dbraw/zinc/50/19/96/489501996.db2.gz GYVXYMGKWSTZKV-ZBFHGGJFSA-N 3 2 354.520 0.929 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000423302369 489513418 /nfs/dbraw/zinc/51/34/18/489513418.db2.gz HGUOBKLFEHFYCV-AWEZNQCLSA-N 2 2 353.394 0.369 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423305106 489513491 /nfs/dbraw/zinc/51/34/91/489513491.db2.gz BBBXYJREIHTUTF-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423305106 489513492 /nfs/dbraw/zinc/51/34/92/489513492.db2.gz BBBXYJREIHTUTF-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000415416204 489518509 /nfs/dbraw/zinc/51/85/09/489518509.db2.gz NAOYVPKRECCWHP-GJZGRUSLSA-N 2 2 360.458 0.839 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2)CC1 ZINC000415539052 489527710 /nfs/dbraw/zinc/52/77/10/489527710.db2.gz LEJADCVORYRNLJ-KRWDZBQOSA-N 2 2 359.474 0.226 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371966281 489529595 /nfs/dbraw/zinc/52/95/95/489529595.db2.gz KXGUHXMSHPWKDU-QGPMSJSTSA-N 2 2 368.547 0.976 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371966281 489529599 /nfs/dbraw/zinc/52/95/99/489529599.db2.gz KXGUHXMSHPWKDU-QGPMSJSTSA-N 2 2 368.547 0.976 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000415577734 489532249 /nfs/dbraw/zinc/53/22/49/489532249.db2.gz ZCXSHJJNXZFQSM-CVEARBPZSA-N 2 2 373.501 0.581 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000425907676 489546811 /nfs/dbraw/zinc/54/68/11/489546811.db2.gz DCHVPAAZJRAREM-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000425907676 489546816 /nfs/dbraw/zinc/54/68/16/489546816.db2.gz DCHVPAAZJRAREM-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000415727208 489547025 /nfs/dbraw/zinc/54/70/25/489547025.db2.gz PIRCNMFSNFLRDE-KRWDZBQOSA-N 2 2 368.441 0.317 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N(C)C2C[NH2+]C2)C[C@H](C)O1 ZINC000415734435 489548332 /nfs/dbraw/zinc/54/83/32/489548332.db2.gz JKKBDGXALWCTIW-OKILXGFUSA-N 2 2 360.458 0.665 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N(C)C2C[NH2+]C2)C[C@H](C)O1 ZINC000415734435 489548334 /nfs/dbraw/zinc/54/83/34/489548334.db2.gz JKKBDGXALWCTIW-OKILXGFUSA-N 2 2 360.458 0.665 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426022347 489552768 /nfs/dbraw/zinc/55/27/68/489552768.db2.gz LWMUNQDEKHTMIB-XHSDSOJGSA-N 2 2 367.538 0.944 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426022347 489552771 /nfs/dbraw/zinc/55/27/71/489552771.db2.gz LWMUNQDEKHTMIB-XHSDSOJGSA-N 2 2 367.538 0.944 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000415811482 489554089 /nfs/dbraw/zinc/55/40/89/489554089.db2.gz AREMDZVISDXDKL-AEFFLSMTSA-N 2 2 371.485 0.193 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415860827 489560580 /nfs/dbraw/zinc/56/05/80/489560580.db2.gz VMAQQSPHUVLVMN-HNNXBMFYSA-N 2 2 369.425 0.832 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371158 489564426 /nfs/dbraw/zinc/56/44/26/489564426.db2.gz JORJRULLVWWLSU-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371158 489564428 /nfs/dbraw/zinc/56/44/28/489564428.db2.gz JORJRULLVWWLSU-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371158 489564430 /nfs/dbraw/zinc/56/44/30/489564430.db2.gz JORJRULLVWWLSU-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371158 489564431 /nfs/dbraw/zinc/56/44/31/489564431.db2.gz JORJRULLVWWLSU-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000415959173 489566766 /nfs/dbraw/zinc/56/67/66/489566766.db2.gz YVORYANZUHRZKS-UHFFFAOYSA-N 2 2 363.466 0.119 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCO1 ZINC000415959173 489566769 /nfs/dbraw/zinc/56/67/69/489566769.db2.gz YVORYANZUHRZKS-UHFFFAOYSA-N 2 2 363.466 0.119 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668193 491264008 /nfs/dbraw/zinc/26/40/08/491264008.db2.gz QQEAQMCAEZXYMK-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668193 491264009 /nfs/dbraw/zinc/26/40/09/491264009.db2.gz QQEAQMCAEZXYMK-HOTGVXAUSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000555668137 491264096 /nfs/dbraw/zinc/26/40/96/491264096.db2.gz PDBNSSVDPLPRSA-OAHLLOKOSA-N 2 2 370.538 0.696 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372455765 489585917 /nfs/dbraw/zinc/58/59/17/489585917.db2.gz BTAZNUUEGUPUCY-OAHLLOKOSA-N 2 2 355.442 0.686 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372455765 489585920 /nfs/dbraw/zinc/58/59/20/489585920.db2.gz BTAZNUUEGUPUCY-OAHLLOKOSA-N 2 2 355.442 0.686 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)ccn2)CC1 ZINC000372487864 489589673 /nfs/dbraw/zinc/58/96/73/489589673.db2.gz UOVLGXVTJPTAFC-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535222 489596207 /nfs/dbraw/zinc/59/62/07/489596207.db2.gz SPIQEDLXGFSCHD-CVEARBPZSA-N 2 2 365.478 0.912 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535222 489596210 /nfs/dbraw/zinc/59/62/10/489596210.db2.gz SPIQEDLXGFSCHD-CVEARBPZSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535222 489596213 /nfs/dbraw/zinc/59/62/13/489596213.db2.gz SPIQEDLXGFSCHD-CVEARBPZSA-N 2 2 365.478 0.912 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)C1 ZINC000372535222 489596215 /nfs/dbraw/zinc/59/62/15/489596215.db2.gz SPIQEDLXGFSCHD-CVEARBPZSA-N 2 2 365.478 0.912 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000570817411 491266749 /nfs/dbraw/zinc/26/67/49/491266749.db2.gz VCTDNVPBEZYDRQ-QGZVFWFLSA-N 2 2 362.474 0.901 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCO1 ZINC000427864933 489624638 /nfs/dbraw/zinc/62/46/38/489624638.db2.gz NJFAUUFIGDBEGK-KRWDZBQOSA-N 2 2 360.458 0.798 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CCO1 ZINC000427864933 489624642 /nfs/dbraw/zinc/62/46/42/489624642.db2.gz NJFAUUFIGDBEGK-KRWDZBQOSA-N 2 2 360.458 0.798 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCO1 ZINC000427864933 489624646 /nfs/dbraw/zinc/62/46/46/489624646.db2.gz NJFAUUFIGDBEGK-KRWDZBQOSA-N 2 2 360.458 0.798 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCO1 ZINC000427864933 489624649 /nfs/dbraw/zinc/62/46/49/489624649.db2.gz NJFAUUFIGDBEGK-KRWDZBQOSA-N 2 2 360.458 0.798 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416808964 489630058 /nfs/dbraw/zinc/63/00/58/489630058.db2.gz IQIXPHPEPYBKDX-QGZVFWFLSA-N 2 2 350.463 0.423 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416808964 489630061 /nfs/dbraw/zinc/63/00/61/489630061.db2.gz IQIXPHPEPYBKDX-QGZVFWFLSA-N 2 2 350.463 0.423 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000570834313 491268069 /nfs/dbraw/zinc/26/80/69/491268069.db2.gz MIOJCEKTDJYSIO-QGZVFWFLSA-N 2 2 373.501 0.911 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)CC2 ZINC000570834313 491268071 /nfs/dbraw/zinc/26/80/71/491268071.db2.gz MIOJCEKTDJYSIO-QGZVFWFLSA-N 2 2 373.501 0.911 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000417247622 489645449 /nfs/dbraw/zinc/64/54/49/489645449.db2.gz AZPOZEDAMHVFCP-INIZCTEOSA-N 2 2 370.457 0.869 20 0 FCADLP [NH3+]CC[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(F)F ZINC000417255873 489645548 /nfs/dbraw/zinc/64/55/48/489645548.db2.gz FNNAPWNJOUJUPZ-SMDDNHRTSA-N 2 2 352.451 0.476 20 0 FCADLP COC[C@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]1 ZINC000417273829 489646147 /nfs/dbraw/zinc/64/61/47/489646147.db2.gz TUUUBGXFPARFSJ-IAGOWNOFSA-N 2 2 372.535 0.262 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000417292268 489646874 /nfs/dbraw/zinc/64/68/74/489646874.db2.gz BWJASNSUFKFPBW-KRWDZBQOSA-N 2 2 362.474 0.888 20 0 FCADLP [NH3+][C@H](CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000417303798 489647625 /nfs/dbraw/zinc/64/76/25/489647625.db2.gz YITIXFXDGZPRRQ-GOSISDBHSA-N 2 2 362.474 0.934 20 0 FCADLP [NH3+]C[C@@H](NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000417319422 489647824 /nfs/dbraw/zinc/64/78/24/489647824.db2.gz NMNGOPBKZWSWQC-QGZVFWFLSA-N 2 2 362.474 0.934 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000417367436 489649603 /nfs/dbraw/zinc/64/96/03/489649603.db2.gz MLARAKULXKAYFZ-MRXNPFEDSA-N 2 2 374.489 0.419 20 0 FCADLP [NH3+][C@H](CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417370507 489650572 /nfs/dbraw/zinc/65/05/72/489650572.db2.gz SXHHQCZEDREKDY-OAHLLOKOSA-N 2 2 360.462 0.157 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000457590709 489650931 /nfs/dbraw/zinc/65/09/31/489650931.db2.gz YTCVELWXTAADNK-WNKDZCFJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000457590709 489650935 /nfs/dbraw/zinc/65/09/35/489650935.db2.gz YTCVELWXTAADNK-WNKDZCFJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000457590709 489650936 /nfs/dbraw/zinc/65/09/36/489650936.db2.gz YTCVELWXTAADNK-WNKDZCFJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000457590709 489650940 /nfs/dbraw/zinc/65/09/40/489650940.db2.gz YTCVELWXTAADNK-WNKDZCFJSA-N 2 2 354.495 0.648 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1 ZINC000428752195 489662728 /nfs/dbraw/zinc/66/27/28/489662728.db2.gz KFDQULQSSBFCRZ-SFHVURJKSA-N 2 2 355.442 0.492 20 0 FCADLP COC1(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000428865168 489666598 /nfs/dbraw/zinc/66/65/98/489666598.db2.gz VKWKLCUMJCCSAI-UHFFFAOYSA-N 2 2 362.474 0.906 20 0 FCADLP [NH3+][C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(F)cccc1F ZINC000417826820 489667398 /nfs/dbraw/zinc/66/73/98/489667398.db2.gz OUEUTLLUYVGXBP-DGCLKSJQSA-N 2 2 366.334 0.917 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000373113288 489669774 /nfs/dbraw/zinc/66/97/74/489669774.db2.gz SUZJZYWUKDJUSE-INIZCTEOSA-N 2 2 359.474 0.680 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000373113288 489669776 /nfs/dbraw/zinc/66/97/76/489669776.db2.gz SUZJZYWUKDJUSE-INIZCTEOSA-N 2 2 359.474 0.680 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417899010 489670228 /nfs/dbraw/zinc/67/02/28/489670228.db2.gz ZTULASCWKRAWDY-HNNXBMFYSA-N 2 2 358.446 0.863 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158019 489672986 /nfs/dbraw/zinc/67/29/86/489672986.db2.gz DCUXUEOVXNZORB-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000458158019 489672988 /nfs/dbraw/zinc/67/29/88/489672988.db2.gz DCUXUEOVXNZORB-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@@H]2C[NH2+]C)([NH+]2CCOCC2)C1 ZINC000418082214 489677633 /nfs/dbraw/zinc/67/76/33/489677633.db2.gz IQTSEKQGKBZAKO-KLHKWILBSA-N 2 2 354.495 0.650 20 0 FCADLP C[N@@H+]1CCCC12CC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)CC2 ZINC000373245683 489682429 /nfs/dbraw/zinc/68/24/29/489682429.db2.gz NFPPBBIKGOYSTO-UHFFFAOYSA-N 2 2 358.490 0.685 20 0 FCADLP C[N@H+]1CCCC12CC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)CC2 ZINC000373245683 489682431 /nfs/dbraw/zinc/68/24/31/489682431.db2.gz NFPPBBIKGOYSTO-UHFFFAOYSA-N 2 2 358.490 0.685 20 0 FCADLP C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C[NH+](C)C ZINC000488971048 489689712 /nfs/dbraw/zinc/68/97/12/489689712.db2.gz AKLGJBRIJKCKBE-AWEZNQCLSA-N 2 2 355.508 0.627 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418403504 489696589 /nfs/dbraw/zinc/69/65/89/489696589.db2.gz IJZLEIWOHUNIAZ-IIAWOOMASA-N 2 2 351.495 0.498 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000418439418 489698358 /nfs/dbraw/zinc/69/83/58/489698358.db2.gz NTWCTLLSLVQMCT-UHFFFAOYSA-N 2 2 360.466 0.712 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000418471819 489700240 /nfs/dbraw/zinc/70/02/40/489700240.db2.gz MNGWOPMHPCHOEX-HNNXBMFYSA-N 2 2 350.463 0.996 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)N[C@H](C)C[NH3+])CC2)cc(OC)c1OC ZINC000418527001 489705185 /nfs/dbraw/zinc/70/51/85/489705185.db2.gz QHIWWNGKWGFKFJ-CYBMUJFWSA-N 2 2 366.462 0.887 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418568354 489708133 /nfs/dbraw/zinc/70/81/33/489708133.db2.gz BLCMIIZNTIRPDY-JYJNAYRXSA-N 2 2 369.510 0.125 20 0 FCADLP CN1C(=O)N[C@@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)C1=O ZINC000563852408 491272671 /nfs/dbraw/zinc/27/26/71/491272671.db2.gz FPYZFXIMRLFOKU-LJQANCHMSA-N 2 2 358.442 0.645 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418613483 489710353 /nfs/dbraw/zinc/71/03/53/489710353.db2.gz FUYZYCTZLHMOBJ-NVXWUHKLSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418613482 489710434 /nfs/dbraw/zinc/71/04/34/489710434.db2.gz FUYZYCTZLHMOBJ-DOTOQJQBSA-N 2 2 365.522 0.842 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864019 491273522 /nfs/dbraw/zinc/27/35/22/491273522.db2.gz FRFVMSXJDZWAPH-IKGGRYGDSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864019 491273524 /nfs/dbraw/zinc/27/35/24/491273524.db2.gz FRFVMSXJDZWAPH-IKGGRYGDSA-N 2 2 358.442 0.804 20 0 FCADLP C[C@@H](CCC[NH3+])NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418698351 489718780 /nfs/dbraw/zinc/71/87/80/489718780.db2.gz HKLWKYPLKOJPRQ-JKSUJKDBSA-N 2 2 353.511 0.842 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000555804400 491274015 /nfs/dbraw/zinc/27/40/15/491274015.db2.gz VWZMRDQNOIYJQV-GJZGRUSLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000555804400 491274017 /nfs/dbraw/zinc/27/40/17/491274017.db2.gz VWZMRDQNOIYJQV-GJZGRUSLSA-N 2 2 368.522 0.543 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418773122 489725253 /nfs/dbraw/zinc/72/52/53/489725253.db2.gz XLWUFUJCOFBRGV-QRVBRYPASA-N 2 2 373.501 0.185 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418773122 489725255 /nfs/dbraw/zinc/72/52/55/489725255.db2.gz XLWUFUJCOFBRGV-QRVBRYPASA-N 2 2 373.501 0.185 20 0 FCADLP CN(CCCNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000489802072 489728910 /nfs/dbraw/zinc/72/89/10/489728910.db2.gz QKFCPVCTFKHAOF-IBGZPJMESA-N 2 2 359.518 0.609 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000376036685 489729794 /nfs/dbraw/zinc/72/97/94/489729794.db2.gz ZGLMAHUSYYCMJZ-GJZGRUSLSA-N 2 2 364.494 1.381 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1N ZINC000459420729 489730841 /nfs/dbraw/zinc/73/08/41/489730841.db2.gz IHVMMKYUBRISQW-HNNXBMFYSA-N 2 2 365.478 0.734 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1N ZINC000459420729 489730846 /nfs/dbraw/zinc/73/08/46/489730846.db2.gz IHVMMKYUBRISQW-HNNXBMFYSA-N 2 2 365.478 0.734 20 0 FCADLP COc1ccc(CNC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000489934915 489736951 /nfs/dbraw/zinc/73/69/51/489736951.db2.gz MZQUGEGCHFPCMY-MRXNPFEDSA-N 2 2 362.474 0.300 20 0 FCADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489961300 489737893 /nfs/dbraw/zinc/73/78/93/489737893.db2.gz YJHFFVAHUGUEGX-NVXWUHKLSA-N 2 2 359.474 0.380 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418822546 489738904 /nfs/dbraw/zinc/73/89/04/489738904.db2.gz AVJNBNRQXKPPNL-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418822546 489738906 /nfs/dbraw/zinc/73/89/06/489738906.db2.gz AVJNBNRQXKPPNL-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000418830517 489743127 /nfs/dbraw/zinc/74/31/27/489743127.db2.gz ICEGXFFWOYVFHS-HNNXBMFYSA-N 2 2 354.495 0.237 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430548800 489744469 /nfs/dbraw/zinc/74/44/69/489744469.db2.gz HOVUAVVLWRTOTG-YNEHKIRRSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430548800 489744472 /nfs/dbraw/zinc/74/44/72/489744472.db2.gz HOVUAVVLWRTOTG-YNEHKIRRSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546614 489745226 /nfs/dbraw/zinc/74/52/26/489745226.db2.gz SDQMBYOWZNOGSQ-OCCSQVGLSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546614 489745230 /nfs/dbraw/zinc/74/52/30/489745230.db2.gz SDQMBYOWZNOGSQ-OCCSQVGLSA-N 2 2 366.487 0.282 20 0 FCADLP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000418834624 489746520 /nfs/dbraw/zinc/74/65/20/489746520.db2.gz OWRPSVGYNAJYQX-SFHVURJKSA-N 2 2 374.485 0.770 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835113 489747087 /nfs/dbraw/zinc/74/70/87/489747087.db2.gz PJUNEAXHJNOSOE-SQNIBIBYSA-N 2 2 374.485 0.390 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835113 489747094 /nfs/dbraw/zinc/74/70/94/489747094.db2.gz PJUNEAXHJNOSOE-SQNIBIBYSA-N 2 2 374.485 0.390 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430598138 489749586 /nfs/dbraw/zinc/74/95/86/489749586.db2.gz BVEIPDFEBJUUAK-KRWDZBQOSA-N 2 2 373.501 0.087 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430598138 489749593 /nfs/dbraw/zinc/74/95/93/489749593.db2.gz BVEIPDFEBJUUAK-KRWDZBQOSA-N 2 2 373.501 0.087 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430592812 489749651 /nfs/dbraw/zinc/74/96/51/489749651.db2.gz IAANHDZCXAUQRV-APPDUMDISA-N 2 2 366.487 0.329 20 0 FCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430602613 489750314 /nfs/dbraw/zinc/75/03/14/489750314.db2.gz WWDGBVAPAGSXHX-OAHLLOKOSA-N 2 2 369.487 0.509 20 0 FCADLP [NH3+]C[C@H]1CCC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430602613 489750317 /nfs/dbraw/zinc/75/03/17/489750317.db2.gz WWDGBVAPAGSXHX-OAHLLOKOSA-N 2 2 369.487 0.509 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000490156670 489751830 /nfs/dbraw/zinc/75/18/30/489751830.db2.gz WXYHRFGTUYTBFX-CVEARBPZSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000490156670 489751834 /nfs/dbraw/zinc/75/18/34/489751834.db2.gz WXYHRFGTUYTBFX-CVEARBPZSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430609380 489752289 /nfs/dbraw/zinc/75/22/89/489752289.db2.gz HJCMEWBQOQJPTD-STQMWFEESA-N 2 2 366.487 0.282 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430609380 489752290 /nfs/dbraw/zinc/75/22/90/489752290.db2.gz HJCMEWBQOQJPTD-STQMWFEESA-N 2 2 366.487 0.282 20 0 FCADLP [NH3+]CC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000430613947 489753775 /nfs/dbraw/zinc/75/37/75/489753775.db2.gz XVORRFRWXOCQGV-UHFFFAOYSA-N 3 2 360.502 0.806 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430611685 489753854 /nfs/dbraw/zinc/75/38/54/489753854.db2.gz POOWTEQJLBJNCW-UHFFFAOYSA-N 2 2 362.474 0.278 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430611685 489753856 /nfs/dbraw/zinc/75/38/56/489753856.db2.gz POOWTEQJLBJNCW-UHFFFAOYSA-N 2 2 362.474 0.278 20 0 FCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430962774 489782051 /nfs/dbraw/zinc/78/20/51/489782051.db2.gz HTQHNYHBFQGDHJ-NSHDSACASA-N 2 2 369.263 0.784 20 0 FCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430962774 489782057 /nfs/dbraw/zinc/78/20/57/489782057.db2.gz HTQHNYHBFQGDHJ-NSHDSACASA-N 2 2 369.263 0.784 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000430630046 489757528 /nfs/dbraw/zinc/75/75/28/489757528.db2.gz RCOGKLAFQXXVAK-UHFFFAOYSA-N 2 2 372.513 0.831 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000430630046 489757533 /nfs/dbraw/zinc/75/75/33/489757533.db2.gz RCOGKLAFQXXVAK-UHFFFAOYSA-N 2 2 372.513 0.831 20 0 FCADLP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635469 489758848 /nfs/dbraw/zinc/75/88/48/489758848.db2.gz VOFXLSACBYQCIJ-MRXNPFEDSA-N 2 2 372.469 0.972 20 0 FCADLP CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635469 489758851 /nfs/dbraw/zinc/75/88/51/489758851.db2.gz VOFXLSACBYQCIJ-MRXNPFEDSA-N 2 2 372.469 0.972 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430643620 489762047 /nfs/dbraw/zinc/76/20/47/489762047.db2.gz XPAWYMZKXREFHL-ZDUSSCGKSA-N 2 2 350.438 0.803 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430643620 489762052 /nfs/dbraw/zinc/76/20/52/489762052.db2.gz XPAWYMZKXREFHL-ZDUSSCGKSA-N 2 2 350.438 0.803 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000430657789 489763396 /nfs/dbraw/zinc/76/33/96/489763396.db2.gz WSBIDRZEDGCVPW-LLVKDONJSA-N 2 2 351.476 0.357 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000430657789 489763398 /nfs/dbraw/zinc/76/33/98/489763398.db2.gz WSBIDRZEDGCVPW-LLVKDONJSA-N 2 2 351.476 0.357 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1nccs1 ZINC000430652428 489763414 /nfs/dbraw/zinc/76/34/14/489763414.db2.gz XJDJQAMKJXQPAQ-CYBMUJFWSA-N 2 2 351.476 0.250 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1nccs1 ZINC000430652428 489763421 /nfs/dbraw/zinc/76/34/21/489763421.db2.gz XJDJQAMKJXQPAQ-CYBMUJFWSA-N 2 2 351.476 0.250 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000430689949 489765162 /nfs/dbraw/zinc/76/51/62/489765162.db2.gz BJXGGHZPCFSZBX-SFHVURJKSA-N 2 2 362.474 0.802 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430711789 489765419 /nfs/dbraw/zinc/76/54/19/489765419.db2.gz XNTDTEBRPFXZNB-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430711789 489765424 /nfs/dbraw/zinc/76/54/24/489765424.db2.gz XNTDTEBRPFXZNB-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000430722913 489766484 /nfs/dbraw/zinc/76/64/84/489766484.db2.gz NYDKGOXMZOQHQQ-STQMWFEESA-N 2 2 350.467 0.350 20 0 FCADLP O=C(COC1C[NH2+]C1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000430749876 489768345 /nfs/dbraw/zinc/76/83/45/489768345.db2.gz XVCKFLVCOIUFNM-UHFFFAOYSA-N 2 2 353.850 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1[NH3+] ZINC000418873627 489768950 /nfs/dbraw/zinc/76/89/50/489768950.db2.gz IEWREJMGKUDNAU-KCPJHIHWSA-N 2 2 352.866 0.865 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1Cl ZINC000418875901 489769871 /nfs/dbraw/zinc/76/98/71/489769871.db2.gz LFWBABRTTIIYQY-KCXAZCMYSA-N 2 2 364.877 0.879 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459859995 489771753 /nfs/dbraw/zinc/77/17/53/489771753.db2.gz GHYZAPKXTPDVQH-CALCHBBNSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000459859995 489771757 /nfs/dbraw/zinc/77/17/57/489771757.db2.gz GHYZAPKXTPDVQH-CALCHBBNSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418887234 489775232 /nfs/dbraw/zinc/77/52/32/489775232.db2.gz AYDZHQGDRIUYHN-RHSMWYFYSA-N 2 2 355.442 0.804 20 0 FCADLP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000430914038 489776195 /nfs/dbraw/zinc/77/61/95/489776195.db2.gz HMOCEEPBMKNYKR-KRWDZBQOSA-N 2 2 360.458 0.353 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)C1 ZINC000430927496 489778056 /nfs/dbraw/zinc/77/80/56/489778056.db2.gz QXPKFITZVWWEIJ-INIZCTEOSA-N 2 2 352.523 0.929 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)C1 ZINC000430927496 489778058 /nfs/dbraw/zinc/77/80/58/489778058.db2.gz QXPKFITZVWWEIJ-INIZCTEOSA-N 2 2 352.523 0.929 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000418891549 489778103 /nfs/dbraw/zinc/77/81/03/489778103.db2.gz UQWYJJUEDWLIOP-UHFFFAOYSA-N 2 2 355.442 0.887 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430928782 489778649 /nfs/dbraw/zinc/77/86/49/489778649.db2.gz MLFFXWJNLAWGNB-XJKCOSOUSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430928782 489778652 /nfs/dbraw/zinc/77/86/52/489778652.db2.gz MLFFXWJNLAWGNB-XJKCOSOUSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000430941205 489779493 /nfs/dbraw/zinc/77/94/93/489779493.db2.gz UXKNWZFXGLLFNF-SJORKVTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000430941205 489779495 /nfs/dbraw/zinc/77/94/95/489779495.db2.gz UXKNWZFXGLLFNF-SJORKVTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418899888 489781441 /nfs/dbraw/zinc/78/14/41/489781441.db2.gz JEMIZLXODBACGI-RHSMWYFYSA-N 2 2 355.442 0.662 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(OC)c1 ZINC000430970767 489783472 /nfs/dbraw/zinc/78/34/72/489783472.db2.gz IREYJFJANOUCGA-IUODEOHRSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(OC)c1 ZINC000430970767 489783476 /nfs/dbraw/zinc/78/34/76/489783476.db2.gz IREYJFJANOUCGA-IUODEOHRSA-N 2 2 351.447 0.998 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000431029515 489785180 /nfs/dbraw/zinc/78/51/80/489785180.db2.gz DMOAYOMHMVQDJT-MRXNPFEDSA-N 2 2 371.547 0.734 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)s1 ZINC000459901797 489785958 /nfs/dbraw/zinc/78/59/58/489785958.db2.gz UWZTWBUNDOIJFN-UHFFFAOYSA-N 2 2 366.531 0.975 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]1CSC[NH2+]1)CC2 ZINC000431055287 489786124 /nfs/dbraw/zinc/78/61/24/489786124.db2.gz HOMQITGNRSROPZ-CQSZACIVSA-N 2 2 351.472 0.841 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1CSC[NH2+]1)CC2 ZINC000431055287 489786127 /nfs/dbraw/zinc/78/61/27/489786127.db2.gz HOMQITGNRSROPZ-CQSZACIVSA-N 2 2 351.472 0.841 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418933616 489794911 /nfs/dbraw/zinc/79/49/11/489794911.db2.gz BEOMJWRKXDYWQU-CQSZACIVSA-N 2 2 352.504 0.712 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418933616 489794916 /nfs/dbraw/zinc/79/49/16/489794916.db2.gz BEOMJWRKXDYWQU-CQSZACIVSA-N 2 2 352.504 0.712 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418936590 489795890 /nfs/dbraw/zinc/79/58/90/489795890.db2.gz FGOFVRGMEAEJMY-OCCSQVGLSA-N 2 2 350.488 0.466 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418936590 489795891 /nfs/dbraw/zinc/79/58/91/489795891.db2.gz FGOFVRGMEAEJMY-OCCSQVGLSA-N 2 2 350.488 0.466 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418935027 489796402 /nfs/dbraw/zinc/79/64/02/489796402.db2.gz CNLZTJQHJZRBBL-HIFRSBDPSA-N 2 2 364.515 0.951 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418935027 489796410 /nfs/dbraw/zinc/79/64/10/489796410.db2.gz CNLZTJQHJZRBBL-HIFRSBDPSA-N 2 2 364.515 0.951 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000418940381 489797095 /nfs/dbraw/zinc/79/70/95/489797095.db2.gz JAEMYWIWTGBQHZ-DZGCQCFKSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000418940381 489797099 /nfs/dbraw/zinc/79/70/99/489797099.db2.gz JAEMYWIWTGBQHZ-DZGCQCFKSA-N 2 2 364.515 0.666 20 0 FCADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1CCCc2ccccc21 ZINC000571061615 491283663 /nfs/dbraw/zinc/28/36/63/491283663.db2.gz ZVXACKRXJICXRA-NXHRZFHOSA-N 2 2 356.470 0.766 20 0 FCADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1CCCc2ccccc21 ZINC000571061615 491283664 /nfs/dbraw/zinc/28/36/64/491283664.db2.gz ZVXACKRXJICXRA-NXHRZFHOSA-N 2 2 356.470 0.766 20 0 FCADLP C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459983071 489808935 /nfs/dbraw/zinc/80/89/35/489808935.db2.gz FMTNCMOJKPLAJV-CABCVRRESA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459983071 489808939 /nfs/dbraw/zinc/80/89/39/489808939.db2.gz FMTNCMOJKPLAJV-CABCVRRESA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1)C[NH+](C)C ZINC000491596397 489809128 /nfs/dbraw/zinc/80/91/28/489809128.db2.gz KAUQZVGVZLSQRT-HNNXBMFYSA-N 2 2 355.504 0.995 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000459992090 489810260 /nfs/dbraw/zinc/81/02/60/489810260.db2.gz PWJOOTCPTNUHFL-KRWDZBQOSA-N 2 2 373.501 0.755 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418981959 489810599 /nfs/dbraw/zinc/81/05/99/489810599.db2.gz BNNACCQNOZLLGX-LSDHHAIUSA-N 2 2 355.442 0.529 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459994355 489812339 /nfs/dbraw/zinc/81/23/39/489812339.db2.gz UWLSSNVMZGIJFD-QGZVFWFLSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000459994355 489812342 /nfs/dbraw/zinc/81/23/42/489812342.db2.gz UWLSSNVMZGIJFD-QGZVFWFLSA-N 3 2 367.538 0.023 20 0 FCADLP CO[C@H]1CCN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)[C@@H](C[NH3+])C1 ZINC000419001217 489813991 /nfs/dbraw/zinc/81/39/91/489813991.db2.gz SEIDJEVQNAQUJW-CABCVRRESA-N 2 2 373.457 0.426 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419033457 489826766 /nfs/dbraw/zinc/82/67/66/489826766.db2.gz CHZJXZZSAUZTOO-OAHLLOKOSA-N 2 2 355.442 0.994 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000419034462 489827013 /nfs/dbraw/zinc/82/70/13/489827013.db2.gz ZPRUSTMPYKXXOU-CHWSQXEVSA-N 2 2 359.405 0.836 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@@H+]1CC(C)(C)O ZINC000376969462 489827531 /nfs/dbraw/zinc/82/75/31/489827531.db2.gz WAOOAOBNWNVDRC-DOTOQJQBSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@H+]1CC(C)(C)O ZINC000376969462 489827534 /nfs/dbraw/zinc/82/75/34/489827534.db2.gz WAOOAOBNWNVDRC-DOTOQJQBSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969462 489827538 /nfs/dbraw/zinc/82/75/38/489827538.db2.gz WAOOAOBNWNVDRC-DOTOQJQBSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH+]1CC(C)(C)O ZINC000376969462 489827541 /nfs/dbraw/zinc/82/75/41/489827541.db2.gz WAOOAOBNWNVDRC-DOTOQJQBSA-N 2 2 353.507 0.791 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000555907509 491282160 /nfs/dbraw/zinc/28/21/60/491282160.db2.gz CZGNKJMSSOWHEW-UHFFFAOYSA-N 2 2 359.474 0.852 20 0 FCADLP CCN1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000432325502 489838137 /nfs/dbraw/zinc/83/81/37/489838137.db2.gz LSDNSVOTZXCTOX-AWEZNQCLSA-N 2 2 360.466 1.079 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)c2cc1C ZINC000492971194 489839987 /nfs/dbraw/zinc/83/99/87/489839987.db2.gz FKACZRVLBBTXSW-BBRMVZONSA-N 2 2 357.414 0.250 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)c2cc1C ZINC000492971194 489839992 /nfs/dbraw/zinc/83/99/92/489839992.db2.gz FKACZRVLBBTXSW-BBRMVZONSA-N 2 2 357.414 0.250 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000555910448 491282367 /nfs/dbraw/zinc/28/23/67/491282367.db2.gz ZKVHYPJGSILKPQ-GVDBMIGSSA-N 2 2 368.522 0.258 20 0 FCADLP O=C(CNC(=O)NCCNc1cccc[nH+]1)NCC[NH+]1CCCCCC1 ZINC000432449800 489842661 /nfs/dbraw/zinc/84/26/61/489842661.db2.gz NUVWVIZVBZAREV-UHFFFAOYSA-N 2 2 362.478 0.785 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419067912 489842985 /nfs/dbraw/zinc/84/29/85/489842985.db2.gz DSXMPMOIXKMHKV-SWLSCSKDSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C[C@@H](C)[NH2+]1 ZINC000419071770 489845514 /nfs/dbraw/zinc/84/55/14/489845514.db2.gz IZAWPRGAUNEVOK-IOASZLSFSA-N 2 2 373.432 0.974 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000419081626 489849565 /nfs/dbraw/zinc/84/95/65/489849565.db2.gz OLWLLOTWASGHHL-HUUCEWRRSA-N 2 2 359.405 0.715 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432819900 489856120 /nfs/dbraw/zinc/85/61/20/489856120.db2.gz BMJLMZNFWPYGLS-CYBMUJFWSA-N 2 2 355.401 0.412 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000419107943 489857953 /nfs/dbraw/zinc/85/79/53/489857953.db2.gz FYFIDHJZZWZXNP-UHFFFAOYSA-N 2 2 365.437 0.981 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419111506 489859541 /nfs/dbraw/zinc/85/95/41/489859541.db2.gz DFCITWOKGCWDEP-HRCADAONSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419115535 489861731 /nfs/dbraw/zinc/86/17/31/489861731.db2.gz JTYVBHXIUWEAJT-IAGOWNOFSA-N 2 2 370.538 0.681 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419116786 489862334 /nfs/dbraw/zinc/86/23/34/489862334.db2.gz LKTOKYNNCPQUIZ-HOCLYGCPSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122046 489866421 /nfs/dbraw/zinc/86/64/21/489866421.db2.gz SXUBDJOSRHJHJV-ARFHVFGLSA-N 2 2 354.495 0.093 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H](C)[N@H+]1CCO ZINC000377198710 489866836 /nfs/dbraw/zinc/86/68/36/489866836.db2.gz QWBFKCXZFGMKGD-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H](C)[N@@H+]1CCO ZINC000377198710 489866839 /nfs/dbraw/zinc/86/68/39/489866839.db2.gz QWBFKCXZFGMKGD-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH+]1CCO ZINC000377198710 489866843 /nfs/dbraw/zinc/86/68/43/489866843.db2.gz QWBFKCXZFGMKGD-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH+]1CCO ZINC000377198710 489866847 /nfs/dbraw/zinc/86/68/47/489866847.db2.gz QWBFKCXZFGMKGD-ZIFCJYIRSA-N 2 2 361.486 0.801 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000419122782 489867508 /nfs/dbraw/zinc/86/75/08/489867508.db2.gz UQMBEYGYUQKASL-HNNXBMFYSA-N 2 2 356.511 0.483 20 0 FCADLP CC(C)(CNC(=O)C[N@H+](CCO)[C@@H]1CCCSC1)[NH+]1CCOCC1 ZINC000433193988 489870676 /nfs/dbraw/zinc/87/06/76/489870676.db2.gz LVOFSROTMHFKRL-OAHLLOKOSA-N 2 2 359.536 0.403 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+](CCO)[C@@H]1CCCSC1)[NH+]1CCOCC1 ZINC000433193988 489870679 /nfs/dbraw/zinc/87/06/79/489870679.db2.gz LVOFSROTMHFKRL-OAHLLOKOSA-N 2 2 359.536 0.403 20 0 FCADLP CC(=O)Nc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000433202515 489871818 /nfs/dbraw/zinc/87/18/18/489871818.db2.gz RFUAESJJLVSHNT-UHFFFAOYSA-N 2 2 355.446 0.872 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC000433298112 489875358 /nfs/dbraw/zinc/87/53/58/489875358.db2.gz YIXWSVLJCMMFLG-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCO1 ZINC000433298112 489875361 /nfs/dbraw/zinc/87/53/61/489875361.db2.gz YIXWSVLJCMMFLG-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419994086 489875864 /nfs/dbraw/zinc/87/58/64/489875864.db2.gz GXOIENQTDYHYFL-MRXNPFEDSA-N 2 2 359.474 0.545 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433334987 489876299 /nfs/dbraw/zinc/87/62/99/489876299.db2.gz JQIIVYMRRSPVPL-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433334987 489876304 /nfs/dbraw/zinc/87/63/04/489876304.db2.gz JQIIVYMRRSPVPL-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420005536 489878969 /nfs/dbraw/zinc/87/89/69/489878969.db2.gz WQQUNOBKEIWXBV-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420005536 489878973 /nfs/dbraw/zinc/87/89/73/489878973.db2.gz WQQUNOBKEIWXBV-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000433380660 489880263 /nfs/dbraw/zinc/88/02/63/489880263.db2.gz DNICXOPVDLQMCE-LSDHHAIUSA-N 2 2 350.467 0.289 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420016524 489881226 /nfs/dbraw/zinc/88/12/26/489881226.db2.gz MYNPSZUHXUGCLV-MSOLQXFVSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420024402 489884097 /nfs/dbraw/zinc/88/40/97/489884097.db2.gz YDMYLSSMMYWBNW-QXSJWSMHSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420024402 489884101 /nfs/dbraw/zinc/88/41/01/489884101.db2.gz YDMYLSSMMYWBNW-QXSJWSMHSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCO1 ZINC000433448159 489884297 /nfs/dbraw/zinc/88/42/97/489884297.db2.gz UOWUVDPGHSNRDA-INIZCTEOSA-N 2 2 364.494 0.738 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCO1 ZINC000433448159 489884301 /nfs/dbraw/zinc/88/43/01/489884301.db2.gz UOWUVDPGHSNRDA-INIZCTEOSA-N 2 2 364.494 0.738 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420032181 489886770 /nfs/dbraw/zinc/88/67/70/489886770.db2.gz GDIVNZZZMAMDQV-NXHRZFHOSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420032181 489886774 /nfs/dbraw/zinc/88/67/74/489886774.db2.gz GDIVNZZZMAMDQV-NXHRZFHOSA-N 2 2 358.486 0.963 20 0 FCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000420038078 489889531 /nfs/dbraw/zinc/88/95/31/489889531.db2.gz VTGUWPDTSOSWPW-KWOWKCNFSA-N 2 2 374.489 0.076 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420043025 489891068 /nfs/dbraw/zinc/89/10/68/489891068.db2.gz OLLHUPGNDJASQW-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCN1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000461002647 489893047 /nfs/dbraw/zinc/89/30/47/489893047.db2.gz UCBFYLAXBIZZBA-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000476561660 489900189 /nfs/dbraw/zinc/90/01/89/489900189.db2.gz HGDHGXKBJKHKIY-DOTOQJQBSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000476561660 489900191 /nfs/dbraw/zinc/90/01/91/489900191.db2.gz HGDHGXKBJKHKIY-DOTOQJQBSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000476561660 489900195 /nfs/dbraw/zinc/90/01/95/489900195.db2.gz HGDHGXKBJKHKIY-DOTOQJQBSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000476561660 489900197 /nfs/dbraw/zinc/90/01/97/489900197.db2.gz HGDHGXKBJKHKIY-DOTOQJQBSA-N 2 2 363.506 0.843 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420067445 489901560 /nfs/dbraw/zinc/90/15/60/489901560.db2.gz YANBYUPEVDKCHK-MAUKXSAKSA-N 2 2 373.501 0.921 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070579 489903571 /nfs/dbraw/zinc/90/35/71/489903571.db2.gz JUFHETCAOFFAFG-QGZVFWFLSA-N 3 2 367.538 0.105 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420070579 489903575 /nfs/dbraw/zinc/90/35/75/489903575.db2.gz JUFHETCAOFFAFG-QGZVFWFLSA-N 3 2 367.538 0.105 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000461379474 489906962 /nfs/dbraw/zinc/90/69/62/489906962.db2.gz ZWPGQOLVDWVCBT-IBGZPJMESA-N 2 2 363.458 0.541 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000461379474 489906965 /nfs/dbraw/zinc/90/69/65/489906965.db2.gz ZWPGQOLVDWVCBT-IBGZPJMESA-N 2 2 363.458 0.541 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433988990 489908903 /nfs/dbraw/zinc/90/89/03/489908903.db2.gz VDLUKGDBDHFLDB-YESZJQIVSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433988990 489908905 /nfs/dbraw/zinc/90/89/05/489908905.db2.gz VDLUKGDBDHFLDB-YESZJQIVSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420092968 489909054 /nfs/dbraw/zinc/90/90/54/489909054.db2.gz CHNFYESEJQBCOF-SOLBZPMBSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420092968 489909058 /nfs/dbraw/zinc/90/90/58/489909058.db2.gz CHNFYESEJQBCOF-SOLBZPMBSA-N 2 2 358.486 0.834 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000461412021 489909099 /nfs/dbraw/zinc/90/90/99/489909099.db2.gz WYZKHIHUAMILEV-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP Nc1[nH+]cnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1Cl ZINC000434080836 489911215 /nfs/dbraw/zinc/91/12/15/489911215.db2.gz MLWIQSZTYOJTBX-UHFFFAOYSA-N 2 2 362.869 1.517 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(=O)[nH]c1=O ZINC000494906306 489919437 /nfs/dbraw/zinc/91/94/37/489919437.db2.gz WRQSOOZUDRRLSF-CYBMUJFWSA-N 2 2 374.445 0.793 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(=O)[nH]c1=O ZINC000494906306 489919443 /nfs/dbraw/zinc/91/94/43/489919443.db2.gz WRQSOOZUDRRLSF-CYBMUJFWSA-N 2 2 374.445 0.793 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564081080 491287474 /nfs/dbraw/zinc/28/74/74/491287474.db2.gz IUWLOPLYSJNIAI-UHFFFAOYSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564081080 491287476 /nfs/dbraw/zinc/28/74/76/491287476.db2.gz IUWLOPLYSJNIAI-UHFFFAOYSA-N 2 2 370.497 0.933 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000434427779 489927322 /nfs/dbraw/zinc/92/73/22/489927322.db2.gz FOXRNDQZGCWCFH-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000434427779 489927329 /nfs/dbraw/zinc/92/73/29/489927329.db2.gz FOXRNDQZGCWCFH-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434466032 489930679 /nfs/dbraw/zinc/93/06/79/489930679.db2.gz UHVKEUSSYZCRNY-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420154209 489932992 /nfs/dbraw/zinc/93/29/92/489932992.db2.gz DBJKLUGHNRXIKT-XYJFISCASA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420154209 489932994 /nfs/dbraw/zinc/93/29/94/489932994.db2.gz DBJKLUGHNRXIKT-XYJFISCASA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628269 489933794 /nfs/dbraw/zinc/93/37/94/489933794.db2.gz OMMRTSFSMSZUSK-AEFFLSMTSA-N 2 2 360.506 0.523 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628269 489933799 /nfs/dbraw/zinc/93/37/99/489933799.db2.gz OMMRTSFSMSZUSK-AEFFLSMTSA-N 2 2 360.506 0.523 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638394 489936458 /nfs/dbraw/zinc/93/64/58/489936458.db2.gz ZJUIXDWEFOBXCF-DZGCQCFKSA-N 2 2 366.535 0.923 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638394 489936459 /nfs/dbraw/zinc/93/64/59/489936459.db2.gz ZJUIXDWEFOBXCF-DZGCQCFKSA-N 2 2 366.535 0.923 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000420166427 489937653 /nfs/dbraw/zinc/93/76/53/489937653.db2.gz IDDPJAOWWDAEBA-KGLIPLIRSA-N 2 2 363.462 0.242 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420178183 489942792 /nfs/dbraw/zinc/94/27/92/489942792.db2.gz ZWQLATBOSGTQKN-PYUISTEWSA-N 2 2 358.486 0.958 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420192787 489947474 /nfs/dbraw/zinc/94/74/74/489947474.db2.gz IBWCKLKQULNMEP-ZFWWWQNUSA-N 2 2 366.487 0.058 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758150 489953352 /nfs/dbraw/zinc/95/33/52/489953352.db2.gz DKDXBEHZRQXAHH-ZWKOTPCHSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758150 489953354 /nfs/dbraw/zinc/95/33/54/489953354.db2.gz DKDXBEHZRQXAHH-ZWKOTPCHSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758150 489953357 /nfs/dbraw/zinc/95/33/57/489953357.db2.gz DKDXBEHZRQXAHH-ZWKOTPCHSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758150 489953361 /nfs/dbraw/zinc/95/33/61/489953361.db2.gz DKDXBEHZRQXAHH-ZWKOTPCHSA-N 2 2 356.470 0.399 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420215020 489954920 /nfs/dbraw/zinc/95/49/20/489954920.db2.gz VXOIGQIKLHEJNC-KGLIPLIRSA-N 2 2 350.488 0.636 20 0 FCADLP O=C(CCNC(=O)C12CCC[NH+]1CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000377772455 489956033 /nfs/dbraw/zinc/95/60/33/489956033.db2.gz HGKSHDREOGIXLX-UHFFFAOYSA-N 2 2 371.485 0.865 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377803163 489959729 /nfs/dbraw/zinc/95/97/29/489959729.db2.gz SFVQWCGOXVBQLX-LSDHHAIUSA-N 2 2 369.473 0.648 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2ncnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420288617 489960570 /nfs/dbraw/zinc/96/05/70/489960570.db2.gz HHAWMQBDXLDLAB-INIZCTEOSA-N 2 2 354.458 0.911 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2ncnn2-c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420288617 489960573 /nfs/dbraw/zinc/96/05/73/489960573.db2.gz HHAWMQBDXLDLAB-INIZCTEOSA-N 2 2 354.458 0.911 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(C(=O)OC)c1 ZINC000420308141 489961839 /nfs/dbraw/zinc/96/18/39/489961839.db2.gz CMBYYCLNPLBXOA-RYUDHWBXSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(C(=O)OC)c1 ZINC000420308141 489961841 /nfs/dbraw/zinc/96/18/41/489961841.db2.gz CMBYYCLNPLBXOA-RYUDHWBXSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(C(=O)OC)c1 ZINC000420308140 489961964 /nfs/dbraw/zinc/96/19/64/489961964.db2.gz CMBYYCLNPLBXOA-NWDGAFQWSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(C(=O)OC)c1 ZINC000420308140 489961967 /nfs/dbraw/zinc/96/19/67/489961967.db2.gz CMBYYCLNPLBXOA-NWDGAFQWSA-N 2 2 363.414 0.867 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000420312737 489962968 /nfs/dbraw/zinc/96/29/68/489962968.db2.gz XCPOZCBMJVACHU-OTWHNJEPSA-N 2 2 361.486 0.631 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000420312737 489962971 /nfs/dbraw/zinc/96/29/71/489962971.db2.gz XCPOZCBMJVACHU-OTWHNJEPSA-N 2 2 361.486 0.631 20 0 FCADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348465 489965929 /nfs/dbraw/zinc/96/59/29/489965929.db2.gz LXPWSZDSPRZVBJ-HNNXBMFYSA-N 2 2 362.474 0.970 20 0 FCADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348465 489965932 /nfs/dbraw/zinc/96/59/32/489965932.db2.gz LXPWSZDSPRZVBJ-HNNXBMFYSA-N 2 2 362.474 0.970 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000420364652 489967312 /nfs/dbraw/zinc/96/73/12/489967312.db2.gz KJMQGTGVTNEFTP-MCYUEQNJSA-N 2 2 354.476 0.637 20 0 FCADLP c1nc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000420356192 489967371 /nfs/dbraw/zinc/96/73/71/489967371.db2.gz GARKPQJBHVCVFM-QGZVFWFLSA-N 3 2 360.506 0.825 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420353644 489967455 /nfs/dbraw/zinc/96/74/55/489967455.db2.gz NLNZOBCMWHPYIL-UKRRQHHQSA-N 2 2 350.463 0.286 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420353644 489967458 /nfs/dbraw/zinc/96/74/58/489967458.db2.gz NLNZOBCMWHPYIL-UKRRQHHQSA-N 2 2 350.463 0.286 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420361300 489967832 /nfs/dbraw/zinc/96/78/32/489967832.db2.gz MBNNWQKAJDFRAO-AWEZNQCLSA-N 2 2 356.492 0.838 20 0 FCADLP CCCCN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000420355633 489967925 /nfs/dbraw/zinc/96/79/25/489967925.db2.gz CDCZEWPCRLAEHA-PNBKFKSVSA-N 2 2 359.536 0.778 20 0 FCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000420367507 489968321 /nfs/dbraw/zinc/96/83/21/489968321.db2.gz SPVQWTUGEZELFM-CQSZACIVSA-N 2 2 354.401 0.997 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420367161 489968933 /nfs/dbraw/zinc/96/89/33/489968933.db2.gz MQTBREOIYLFXFM-HNNXBMFYSA-N 2 2 368.503 0.853 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420378641 489969262 /nfs/dbraw/zinc/96/92/62/489969262.db2.gz MLNSOMMQGHQLGF-INIZCTEOSA-N 2 2 352.483 0.553 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420378641 489969268 /nfs/dbraw/zinc/96/92/68/489969268.db2.gz MLNSOMMQGHQLGF-INIZCTEOSA-N 2 2 352.483 0.553 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420386944 489970928 /nfs/dbraw/zinc/97/09/28/489970928.db2.gz VJQFGZACDCKPHE-MRXNPFEDSA-N 2 2 372.429 0.799 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420386944 489970933 /nfs/dbraw/zinc/97/09/33/489970933.db2.gz VJQFGZACDCKPHE-MRXNPFEDSA-N 2 2 372.429 0.799 20 0 FCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420393582 489971287 /nfs/dbraw/zinc/97/12/87/489971287.db2.gz XVVSTAGMSJDZAG-CYBMUJFWSA-N 2 2 356.492 0.805 20 0 FCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420393582 489971289 /nfs/dbraw/zinc/97/12/89/489971289.db2.gz XVVSTAGMSJDZAG-CYBMUJFWSA-N 2 2 356.492 0.805 20 0 FCADLP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420397710 489971538 /nfs/dbraw/zinc/97/15/38/489971538.db2.gz XXVMPTHDKVDQAF-HIFRSBDPSA-N 2 2 351.447 0.758 20 0 FCADLP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420397710 489971546 /nfs/dbraw/zinc/97/15/46/489971546.db2.gz XXVMPTHDKVDQAF-HIFRSBDPSA-N 2 2 351.447 0.758 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420405002 489972731 /nfs/dbraw/zinc/97/27/31/489972731.db2.gz MPTOVKJEBNQYQU-KGLIPLIRSA-N 2 2 350.438 0.951 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420405002 489972734 /nfs/dbraw/zinc/97/27/34/489972734.db2.gz MPTOVKJEBNQYQU-KGLIPLIRSA-N 2 2 350.438 0.951 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462397925 489973714 /nfs/dbraw/zinc/97/37/14/489973714.db2.gz WKMGEFMFLOANOC-MLGOLLRUSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462397925 489973716 /nfs/dbraw/zinc/97/37/16/489973716.db2.gz WKMGEFMFLOANOC-MLGOLLRUSA-N 2 2 352.460 0.346 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420422460 489974131 /nfs/dbraw/zinc/97/41/31/489974131.db2.gz ZMXWIVMTOQJHDP-WCQYABFASA-N 2 2 361.425 0.965 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420422460 489974132 /nfs/dbraw/zinc/97/41/32/489974132.db2.gz ZMXWIVMTOQJHDP-WCQYABFASA-N 2 2 361.425 0.965 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000571206177 491292444 /nfs/dbraw/zinc/29/24/44/491292444.db2.gz KOBLLGJDDQUDSR-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000571206177 491292446 /nfs/dbraw/zinc/29/24/46/491292446.db2.gz KOBLLGJDDQUDSR-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000571206177 491292448 /nfs/dbraw/zinc/29/24/48/491292448.db2.gz KOBLLGJDDQUDSR-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000571206177 491292450 /nfs/dbraw/zinc/29/24/50/491292450.db2.gz KOBLLGJDDQUDSR-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000556081133 491292610 /nfs/dbraw/zinc/29/26/10/491292610.db2.gz OOISYFDURWWTNI-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477819516 489992534 /nfs/dbraw/zinc/99/25/34/489992534.db2.gz PCLIKHSRGHERDB-BZUAXINKSA-N 2 2 356.511 0.582 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435489983 490003338 /nfs/dbraw/zinc/00/33/38/490003338.db2.gz DWJLDCBQFHVPCG-ZWKOTPCHSA-N 2 2 370.538 0.976 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435489983 490003340 /nfs/dbraw/zinc/00/33/40/490003340.db2.gz DWJLDCBQFHVPCG-ZWKOTPCHSA-N 2 2 370.538 0.976 20 0 FCADLP CC(=O)N1CCC[C@H]1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435556272 490005632 /nfs/dbraw/zinc/00/56/32/490005632.db2.gz KZJQKWBHKKWRJP-HOTGVXAUSA-N 2 2 359.474 0.902 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000478266229 490013190 /nfs/dbraw/zinc/01/31/90/490013190.db2.gz PNMREOUZGNOHDF-KRWDZBQOSA-N 2 2 350.438 0.524 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000478266229 490013193 /nfs/dbraw/zinc/01/31/93/490013193.db2.gz PNMREOUZGNOHDF-KRWDZBQOSA-N 2 2 350.438 0.524 20 0 FCADLP C[C@H]1C[C@@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1Cc1ccccc1 ZINC000564208210 491294087 /nfs/dbraw/zinc/29/40/87/491294087.db2.gz ZKZUNNDIISTVCJ-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[C@@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1Cc1ccccc1 ZINC000564208210 491294088 /nfs/dbraw/zinc/29/40/88/491294088.db2.gz ZKZUNNDIISTVCJ-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420805249 490023679 /nfs/dbraw/zinc/02/36/79/490023679.db2.gz AOSXOAQOIYQLKO-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420805249 490023684 /nfs/dbraw/zinc/02/36/84/490023684.db2.gz AOSXOAQOIYQLKO-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000420814567 490023807 /nfs/dbraw/zinc/02/38/07/490023807.db2.gz HVMWYPRUTFCEEE-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000420814567 490023812 /nfs/dbraw/zinc/02/38/12/490023812.db2.gz HVMWYPRUTFCEEE-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CCOC1CC(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)([NH+]2CCOCC2)C1 ZINC000420838372 490025280 /nfs/dbraw/zinc/02/52/80/490025280.db2.gz LDEYYJKTPNVWKE-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)([NH+]2CCOCC2)C1 ZINC000420838372 490025283 /nfs/dbraw/zinc/02/52/83/490025283.db2.gz LDEYYJKTPNVWKE-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556108491 491295120 /nfs/dbraw/zinc/29/51/20/491295120.db2.gz QJNLKBZPLUVUKO-HNNXBMFYSA-N 2 2 361.490 0.869 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000438331627 490033967 /nfs/dbraw/zinc/03/39/67/490033967.db2.gz OOCAWRSEGVOSPC-CABCVRRESA-N 2 2 350.467 0.820 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000438331627 490033971 /nfs/dbraw/zinc/03/39/71/490033971.db2.gz OOCAWRSEGVOSPC-CABCVRRESA-N 2 2 350.467 0.820 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438322845 490034031 /nfs/dbraw/zinc/03/40/31/490034031.db2.gz VBKCTPURLQWSOW-INIZCTEOSA-N 2 2 364.494 1.211 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CCCNS(=O)(=O)CC)CC2)CC1 ZINC000420973044 490036717 /nfs/dbraw/zinc/03/67/17/490036717.db2.gz BVTSKNBDJSGIIL-UHFFFAOYSA-N 2 2 360.568 0.808 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CCCNS(=O)(=O)CC)CC2)CC1 ZINC000420973044 490036722 /nfs/dbraw/zinc/03/67/22/490036722.db2.gz BVTSKNBDJSGIIL-UHFFFAOYSA-N 2 2 360.568 0.808 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420976573 490036756 /nfs/dbraw/zinc/03/67/56/490036756.db2.gz BBEDOTPGFRBWHT-LJQANCHMSA-N 2 2 358.486 0.850 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000420976573 490036763 /nfs/dbraw/zinc/03/67/63/490036763.db2.gz BBEDOTPGFRBWHT-LJQANCHMSA-N 2 2 358.486 0.850 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378406784 490060140 /nfs/dbraw/zinc/06/01/40/490060140.db2.gz VIKSJUNSIDTEDI-UHFFFAOYSA-N 2 2 358.442 0.563 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000479038471 490063519 /nfs/dbraw/zinc/06/35/19/490063519.db2.gz DUDCLKZDFCBUKF-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000479038471 490063522 /nfs/dbraw/zinc/06/35/22/490063522.db2.gz DUDCLKZDFCBUKF-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000479038471 490063526 /nfs/dbraw/zinc/06/35/26/490063526.db2.gz DUDCLKZDFCBUKF-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000479038471 490063530 /nfs/dbraw/zinc/06/35/30/490063530.db2.gz DUDCLKZDFCBUKF-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCC1CCCCC1 ZINC000378428364 490063581 /nfs/dbraw/zinc/06/35/81/490063581.db2.gz KEZPHEBHOISTRM-UHFFFAOYSA-N 2 2 353.507 0.842 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000479197440 490073236 /nfs/dbraw/zinc/07/32/36/490073236.db2.gz UTPKQNAFGGTHGM-QZWWFDLISA-N 2 2 368.522 0.354 20 0 FCADLP COCC1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[NH2+]CC1 ZINC000479203204 490073737 /nfs/dbraw/zinc/07/37/37/490073737.db2.gz VRVMICKDBDDBJG-UHFFFAOYSA-N 2 2 351.451 0.170 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479210078 490074001 /nfs/dbraw/zinc/07/40/01/490074001.db2.gz YNOOUXNNTHKZDE-KRWDZBQOSA-N 2 2 364.465 0.881 20 0 FCADLP C[N@H+](C[C@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)C1CC1 ZINC000519791776 490085460 /nfs/dbraw/zinc/08/54/60/490085460.db2.gz QQTWUNPUYXDEGV-SFHVURJKSA-N 2 2 352.523 0.462 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)C1CC1 ZINC000519791776 490085464 /nfs/dbraw/zinc/08/54/64/490085464.db2.gz QQTWUNPUYXDEGV-SFHVURJKSA-N 2 2 352.523 0.462 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000506423028 490088867 /nfs/dbraw/zinc/08/88/67/490088867.db2.gz QQHSPHLIZPJPID-UHFFFAOYSA-N 2 2 358.486 0.366 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000571288730 491298112 /nfs/dbraw/zinc/29/81/12/491298112.db2.gz DBZCKNVKISSTKY-OAHLLOKOSA-N 3 2 364.494 0.068 20 0 FCADLP C[NH+](C)C1(CNc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000571303685 491298951 /nfs/dbraw/zinc/29/89/51/491298951.db2.gz NUCPXWYWIWWBQE-UHFFFAOYSA-N 2 2 353.492 0.524 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000519864199 490101754 /nfs/dbraw/zinc/10/17/54/490101754.db2.gz QHHKOCYYRDSJLP-HNNXBMFYSA-N 2 2 372.429 0.568 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000496148213 490105644 /nfs/dbraw/zinc/10/56/44/490105644.db2.gz OFOIDWBNBNMNDE-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000496148213 490105648 /nfs/dbraw/zinc/10/56/48/490105648.db2.gz OFOIDWBNBNMNDE-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP CN(C(=O)[C@@]1(C)CC1(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000421771234 490106575 /nfs/dbraw/zinc/10/65/75/490106575.db2.gz WORZLZQTDFIHSE-QGZVFWFLSA-N 2 2 372.460 0.729 20 0 FCADLP NC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000520233645 490120580 /nfs/dbraw/zinc/12/05/80/490120580.db2.gz FPQLDCQPFQKHBT-WBVHZDCISA-N 2 2 355.442 0.525 20 0 FCADLP [NH3+]CCC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1 ZINC000479777838 490124772 /nfs/dbraw/zinc/12/47/72/490124772.db2.gz OYYWOQAVFKCSMH-UHFFFAOYSA-N 2 2 358.486 0.918 20 0 FCADLP [NH3+]CCC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1 ZINC000479777838 490124775 /nfs/dbraw/zinc/12/47/75/490124775.db2.gz OYYWOQAVFKCSMH-UHFFFAOYSA-N 2 2 358.486 0.918 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497510540 490170417 /nfs/dbraw/zinc/17/04/17/490170417.db2.gz ZJMLZZNGFQAGRD-IPYPFGDCSA-N 2 2 356.829 0.933 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497510540 490170418 /nfs/dbraw/zinc/17/04/18/490170418.db2.gz ZJMLZZNGFQAGRD-IPYPFGDCSA-N 2 2 356.829 0.933 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000422119008 490172420 /nfs/dbraw/zinc/17/24/20/490172420.db2.gz RRDGCYKPJMITGS-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000422119008 490172427 /nfs/dbraw/zinc/17/24/27/490172427.db2.gz RRDGCYKPJMITGS-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000422119008 490172434 /nfs/dbraw/zinc/17/24/34/490172434.db2.gz RRDGCYKPJMITGS-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000422119008 490172440 /nfs/dbraw/zinc/17/24/40/490172440.db2.gz RRDGCYKPJMITGS-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP COC1CC([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000546006367 490175723 /nfs/dbraw/zinc/17/57/23/490175723.db2.gz BUFLOPCNEGLVJR-UHFFFAOYSA-N 2 2 354.476 0.300 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2C3CCC2CC3)CC1 ZINC000533237402 490200021 /nfs/dbraw/zinc/20/00/21/490200021.db2.gz XHJUAOBAFVZDOK-UHFFFAOYSA-N 2 2 355.446 0.639 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564440478 491307025 /nfs/dbraw/zinc/30/70/25/491307025.db2.gz KXLNZFBKPAFGFG-GOEBONIOSA-N 2 2 364.515 0.978 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@H]1C ZINC000447254532 490211559 /nfs/dbraw/zinc/21/15/59/490211559.db2.gz BTXPRFNJDMQOHA-XABIJQAGSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@H]1C ZINC000447254532 490211569 /nfs/dbraw/zinc/21/15/69/490211569.db2.gz BTXPRFNJDMQOHA-XABIJQAGSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@H]1C ZINC000447254532 490211575 /nfs/dbraw/zinc/21/15/75/490211575.db2.gz BTXPRFNJDMQOHA-XABIJQAGSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@H]1C ZINC000447254532 490211585 /nfs/dbraw/zinc/21/15/85/490211585.db2.gz BTXPRFNJDMQOHA-XABIJQAGSA-N 2 2 370.490 0.609 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cncc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000521038440 490216892 /nfs/dbraw/zinc/21/68/92/490216892.db2.gz NBGNPQBAQGFIKX-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1cncc(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000521038440 490216897 /nfs/dbraw/zinc/21/68/97/490216897.db2.gz NBGNPQBAQGFIKX-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000497836974 490221336 /nfs/dbraw/zinc/22/13/36/490221336.db2.gz IQRROWSYMUIKKT-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000497836974 490221341 /nfs/dbraw/zinc/22/13/41/490221341.db2.gz IQRROWSYMUIKKT-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000521088960 490223341 /nfs/dbraw/zinc/22/33/41/490223341.db2.gz POEUMDWCHRPLLP-NVXWUHKLSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000521088960 490223345 /nfs/dbraw/zinc/22/33/45/490223345.db2.gz POEUMDWCHRPLLP-NVXWUHKLSA-N 2 2 369.469 0.951 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954361 490232979 /nfs/dbraw/zinc/23/29/79/490232979.db2.gz MAKNNKRYCSJLEC-GJZGRUSLSA-N 2 2 360.462 0.122 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954361 490232981 /nfs/dbraw/zinc/23/29/81/490232981.db2.gz MAKNNKRYCSJLEC-GJZGRUSLSA-N 2 2 360.462 0.122 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000422294492 490238452 /nfs/dbraw/zinc/23/84/52/490238452.db2.gz LDQQZNJHMSILLE-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000422294492 490238458 /nfs/dbraw/zinc/23/84/58/490238458.db2.gz LDQQZNJHMSILLE-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000483048727 490275853 /nfs/dbraw/zinc/27/58/53/490275853.db2.gz NHKBJUKPIQONMZ-OXJNMPFZSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@](C)(O)C1 ZINC000483048727 490275856 /nfs/dbraw/zinc/27/58/56/490275856.db2.gz NHKBJUKPIQONMZ-OXJNMPFZSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCCC(C)(C)O)CC2)CC1 ZINC000422360586 490277448 /nfs/dbraw/zinc/27/74/48/490277448.db2.gz QAPIYWUOFQPUHV-UHFFFAOYSA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCCC(C)(C)O)CC2)CC1 ZINC000422360586 490277456 /nfs/dbraw/zinc/27/74/56/490277456.db2.gz QAPIYWUOFQPUHV-UHFFFAOYSA-N 2 2 368.522 0.282 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000521662692 490287940 /nfs/dbraw/zinc/28/79/40/490287940.db2.gz TZQFAEQYRZLFAQ-HNNXBMFYSA-N 2 2 362.478 0.401 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000521662692 490287942 /nfs/dbraw/zinc/28/79/42/490287942.db2.gz TZQFAEQYRZLFAQ-HNNXBMFYSA-N 2 2 362.478 0.401 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181500 490291383 /nfs/dbraw/zinc/29/13/83/490291383.db2.gz JTPRJNCNKKHZSX-ZBFHGGJFSA-N 2 2 355.442 0.988 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181500 490291388 /nfs/dbraw/zinc/29/13/88/490291388.db2.gz JTPRJNCNKKHZSX-ZBFHGGJFSA-N 2 2 355.442 0.988 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCCCS(C)(=O)=O)CC1 ZINC000483235181 490296304 /nfs/dbraw/zinc/29/63/04/490296304.db2.gz NAAKOUXKVAYJIH-UHFFFAOYSA-N 2 2 362.540 0.527 20 0 FCADLP CC(=O)N[C@@H](C)C1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000483227222 490296466 /nfs/dbraw/zinc/29/64/66/490296466.db2.gz KZDXAUKSIHWNIS-HNNXBMFYSA-N 2 2 367.538 0.959 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000521842788 490301920 /nfs/dbraw/zinc/30/19/20/490301920.db2.gz LCZHHIDFFNMQRA-HIFRSBDPSA-N 2 2 363.437 0.605 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)[C@H](C[NH3+])C1 ZINC000521842788 490301928 /nfs/dbraw/zinc/30/19/28/490301928.db2.gz LCZHHIDFFNMQRA-HIFRSBDPSA-N 2 2 363.437 0.605 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841126 490302066 /nfs/dbraw/zinc/30/20/66/490302066.db2.gz WPYIHTBOAIQOCX-MSOLQXFVSA-N 2 2 362.474 0.647 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841126 490302073 /nfs/dbraw/zinc/30/20/73/490302073.db2.gz WPYIHTBOAIQOCX-MSOLQXFVSA-N 2 2 362.474 0.647 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000521849770 490303398 /nfs/dbraw/zinc/30/33/98/490303398.db2.gz ZDHDKYDXQXYZOB-UHFFFAOYSA-N 2 2 350.467 0.515 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000508204648 490308304 /nfs/dbraw/zinc/30/83/04/490308304.db2.gz MKPIOBTUSTYDHC-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CCN1CC[NH+](CCC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000508204648 490308308 /nfs/dbraw/zinc/30/83/08/490308308.db2.gz MKPIOBTUSTYDHC-SFHVURJKSA-N 2 2 354.539 0.877 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000483473485 490320178 /nfs/dbraw/zinc/32/01/78/490320178.db2.gz LYZAPCLGKIQWSL-OAHLLOKOSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000483473485 490320180 /nfs/dbraw/zinc/32/01/80/490320180.db2.gz LYZAPCLGKIQWSL-OAHLLOKOSA-N 2 2 355.479 0.489 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000508383495 490326116 /nfs/dbraw/zinc/32/61/16/490326116.db2.gz CRTMMGRWGSDTQZ-OIISXLGYSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000508383495 490326120 /nfs/dbraw/zinc/32/61/20/490326120.db2.gz CRTMMGRWGSDTQZ-OIISXLGYSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000522019345 490328935 /nfs/dbraw/zinc/32/89/35/490328935.db2.gz DGLWEFHBERQCCY-INIZCTEOSA-N 2 2 367.515 0.899 20 0 FCADLP CN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118139 490342857 /nfs/dbraw/zinc/34/28/57/490342857.db2.gz VBPUROSNSRAPPH-DLBZAZTESA-N 2 2 371.485 0.673 20 0 FCADLP CN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118139 490342864 /nfs/dbraw/zinc/34/28/64/490342864.db2.gz VBPUROSNSRAPPH-DLBZAZTESA-N 2 2 371.485 0.673 20 0 FCADLP CN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118141 490343593 /nfs/dbraw/zinc/34/35/93/490343593.db2.gz VBPUROSNSRAPPH-IRXDYDNUSA-N 2 2 371.485 0.673 20 0 FCADLP CN1C(=O)C[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118141 490343597 /nfs/dbraw/zinc/34/35/97/490343597.db2.gz VBPUROSNSRAPPH-IRXDYDNUSA-N 2 2 371.485 0.673 20 0 FCADLP C[NH+]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000522130968 490344849 /nfs/dbraw/zinc/34/48/49/490344849.db2.gz ASNOIGCYOYAOHC-UHFFFAOYSA-N 2 2 360.462 0.077 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000534296340 490344958 /nfs/dbraw/zinc/34/49/58/490344958.db2.gz XFYGFHCFIPAPRO-HZPDHXFCSA-N 2 2 353.511 0.569 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534296340 490344960 /nfs/dbraw/zinc/34/49/60/490344960.db2.gz XFYGFHCFIPAPRO-HZPDHXFCSA-N 2 2 353.511 0.569 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000522147548 490346624 /nfs/dbraw/zinc/34/66/24/490346624.db2.gz PFXQSNRVBVZMTR-MRXNPFEDSA-N 2 2 360.458 0.639 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000522147548 490346630 /nfs/dbraw/zinc/34/66/30/490346630.db2.gz PFXQSNRVBVZMTR-MRXNPFEDSA-N 2 2 360.458 0.639 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485075 490351468 /nfs/dbraw/zinc/35/14/68/490351468.db2.gz DPACUUZGGQDENL-DOTOQJQBSA-N 2 2 360.458 0.909 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000422485075 490351475 /nfs/dbraw/zinc/35/14/75/490351475.db2.gz DPACUUZGGQDENL-DOTOQJQBSA-N 2 2 360.458 0.909 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000522207760 490355096 /nfs/dbraw/zinc/35/50/96/490355096.db2.gz AHPKCBZHOBAGHK-OAHLLOKOSA-N 2 2 357.462 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000522207760 490355102 /nfs/dbraw/zinc/35/51/02/490355102.db2.gz AHPKCBZHOBAGHK-OAHLLOKOSA-N 2 2 357.462 0.886 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000410710316 490367886 /nfs/dbraw/zinc/36/78/86/490367886.db2.gz IEACYCSKYQBZQA-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000410710316 490367892 /nfs/dbraw/zinc/36/78/92/490367892.db2.gz IEACYCSKYQBZQA-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507868 490368200 /nfs/dbraw/zinc/36/82/00/490368200.db2.gz IQPGHWOMTKCQHR-KBPBESRZSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507868 490368207 /nfs/dbraw/zinc/36/82/07/490368207.db2.gz IQPGHWOMTKCQHR-KBPBESRZSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000571659413 491321857 /nfs/dbraw/zinc/32/18/57/491321857.db2.gz SCBPGCNWRCXPJC-GPMSIDNRSA-N 2 2 365.522 0.652 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000411034105 490380280 /nfs/dbraw/zinc/38/02/80/490380280.db2.gz XJGDFCARDKBHDC-MRXNPFEDSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000411034105 490380285 /nfs/dbraw/zinc/38/02/85/490380285.db2.gz XJGDFCARDKBHDC-MRXNPFEDSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000411034105 490380290 /nfs/dbraw/zinc/38/02/90/490380290.db2.gz XJGDFCARDKBHDC-MRXNPFEDSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000411034105 490380293 /nfs/dbraw/zinc/38/02/93/490380293.db2.gz XJGDFCARDKBHDC-MRXNPFEDSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411131376 490391050 /nfs/dbraw/zinc/39/10/50/490391050.db2.gz HKQRUJRCHZCQCW-OAHLLOKOSA-N 2 2 359.430 0.746 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411131376 490391057 /nfs/dbraw/zinc/39/10/57/490391057.db2.gz HKQRUJRCHZCQCW-OAHLLOKOSA-N 2 2 359.430 0.746 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H](C)O1 ZINC000411136198 490393455 /nfs/dbraw/zinc/39/34/55/490393455.db2.gz IXBZNNCXZJEQLH-ZIAGYGMSSA-N 2 2 359.430 0.888 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000534718584 490401581 /nfs/dbraw/zinc/40/15/81/490401581.db2.gz RZQSYFWIAUXKKE-UHFFFAOYSA-N 2 2 351.495 0.276 20 0 FCADLP C[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2CC23CC3)([NH+]2CCCCC2)CC1 ZINC000422570361 490407648 /nfs/dbraw/zinc/40/76/48/490407648.db2.gz HSZVODKUIMCLSH-MRXNPFEDSA-N 2 2 362.518 0.969 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000548034686 490410198 /nfs/dbraw/zinc/41/01/98/490410198.db2.gz SPTDXQAYWKJAMA-KRWDZBQOSA-N 2 2 369.554 0.501 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000548034686 490410203 /nfs/dbraw/zinc/41/02/03/490410203.db2.gz SPTDXQAYWKJAMA-KRWDZBQOSA-N 2 2 369.554 0.501 20 0 FCADLP CCCCOCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000556639849 491324557 /nfs/dbraw/zinc/32/45/57/491324557.db2.gz NBRBQWHQSXLESX-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000422640286 490438809 /nfs/dbraw/zinc/43/88/09/490438809.db2.gz VJWWDYMIMZNGKA-RDBSUJKOSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1S(N)(=O)=O ZINC000422640286 490438814 /nfs/dbraw/zinc/43/88/14/490438814.db2.gz VJWWDYMIMZNGKA-RDBSUJKOSA-N 2 2 368.503 0.886 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+][C@H](C)C3C[NH2+]C3)cc2)CC1 ZINC000422702158 490460042 /nfs/dbraw/zinc/46/00/42/490460042.db2.gz DGTYSWLJWMEIFD-QGZVFWFLSA-N 3 2 374.529 0.970 20 0 FCADLP CCO[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H]1OC ZINC000484739638 490461962 /nfs/dbraw/zinc/46/19/62/490461962.db2.gz UYZOBIXDOAWREW-ZACQAIPSSA-N 2 2 356.511 0.846 20 0 FCADLP CCO[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H]1OC ZINC000484739638 490461970 /nfs/dbraw/zinc/46/19/70/490461970.db2.gz UYZOBIXDOAWREW-ZACQAIPSSA-N 2 2 356.511 0.846 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509793636 490466639 /nfs/dbraw/zinc/46/66/39/490466639.db2.gz XGGYONJBILVDAR-HZPDHXFCSA-N 2 2 374.489 0.547 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509793636 490466644 /nfs/dbraw/zinc/46/66/44/490466644.db2.gz XGGYONJBILVDAR-HZPDHXFCSA-N 2 2 374.489 0.547 20 0 FCADLP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000422753944 490471225 /nfs/dbraw/zinc/47/12/25/490471225.db2.gz FMKUWVDUMRDAHN-HNNXBMFYSA-N 3 2 354.520 0.840 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422758986 490473358 /nfs/dbraw/zinc/47/33/58/490473358.db2.gz FGDAVYCOTNLNSE-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944258 490481044 /nfs/dbraw/zinc/48/10/44/490481044.db2.gz HCIZRWAKDYWSQH-SJORKVTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944258 490481048 /nfs/dbraw/zinc/48/10/48/490481048.db2.gz HCIZRWAKDYWSQH-SJORKVTESA-N 3 2 352.523 0.807 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000523660217 490481832 /nfs/dbraw/zinc/48/18/32/490481832.db2.gz JEJAXYKKMBIPNI-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000523660217 490481841 /nfs/dbraw/zinc/48/18/41/490481841.db2.gz JEJAXYKKMBIPNI-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993184 490487605 /nfs/dbraw/zinc/48/76/05/490487605.db2.gz GZNJBQOZSCQDOE-APWZRJJASA-N 3 2 372.513 0.935 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000484993184 490487614 /nfs/dbraw/zinc/48/76/14/490487614.db2.gz GZNJBQOZSCQDOE-APWZRJJASA-N 3 2 372.513 0.935 20 0 FCADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC000510068978 490488996 /nfs/dbraw/zinc/48/89/96/490488996.db2.gz AEBBGIQMCKFMCZ-KRWDZBQOSA-N 2 2 357.458 0.679 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)[C@H](C)C1 ZINC000523750870 490492278 /nfs/dbraw/zinc/49/22/78/490492278.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)[C@H](C)C1 ZINC000523750870 490492286 /nfs/dbraw/zinc/49/22/86/490492286.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)[C@H](C)C1 ZINC000523750870 490492290 /nfs/dbraw/zinc/49/22/90/490492290.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)[C@H](C)C1 ZINC000523750870 490492296 /nfs/dbraw/zinc/49/22/96/490492296.db2.gz MNXQBRNCRVJNJN-SQNIBIBYSA-N 2 2 369.554 0.668 20 0 FCADLP CCCCNc1cc(N2CC[NH+](C(COC)COC)CC2)nc(N)[nH+]1 ZINC000413481401 490503427 /nfs/dbraw/zinc/50/34/27/490503427.db2.gz TUMXPMHTUZMUND-UHFFFAOYSA-N 2 2 352.483 1.054 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@H+](C)C1 ZINC000413898188 490508201 /nfs/dbraw/zinc/50/82/01/490508201.db2.gz IDVGSYNOEZSGSW-BZUAXINKSA-N 2 2 360.458 0.717 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@@H+](C)C1 ZINC000413898188 490508206 /nfs/dbraw/zinc/50/82/06/490508206.db2.gz IDVGSYNOEZSGSW-BZUAXINKSA-N 2 2 360.458 0.717 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C)C1 ZINC000413904794 490510134 /nfs/dbraw/zinc/51/01/34/490510134.db2.gz PYYAMWXQHWEJSA-CVEARBPZSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C)C1 ZINC000413904794 490510142 /nfs/dbraw/zinc/51/01/42/490510142.db2.gz PYYAMWXQHWEJSA-CVEARBPZSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904794 490510149 /nfs/dbraw/zinc/51/01/49/490510149.db2.gz PYYAMWXQHWEJSA-CVEARBPZSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904794 490510152 /nfs/dbraw/zinc/51/01/52/490510152.db2.gz PYYAMWXQHWEJSA-CVEARBPZSA-N 2 2 353.463 0.051 20 0 FCADLP CC(=O)NCC[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000500412197 490511940 /nfs/dbraw/zinc/51/19/40/490511940.db2.gz CAHYWCFZKSOSMH-QGZVFWFLSA-N 2 2 367.538 0.960 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C)C1 ZINC000413906582 490512931 /nfs/dbraw/zinc/51/29/31/490512931.db2.gz RWMHTESQNVZHTK-GOEBONIOSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C)C1 ZINC000413906582 490512934 /nfs/dbraw/zinc/51/29/34/490512934.db2.gz RWMHTESQNVZHTK-GOEBONIOSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906582 490512936 /nfs/dbraw/zinc/51/29/36/490512936.db2.gz RWMHTESQNVZHTK-GOEBONIOSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906582 490512937 /nfs/dbraw/zinc/51/29/37/490512937.db2.gz RWMHTESQNVZHTK-GOEBONIOSA-N 2 2 353.463 0.193 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423009470 490517631 /nfs/dbraw/zinc/51/76/31/490517631.db2.gz CXQLRHXHNKEWRZ-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423016340 490519533 /nfs/dbraw/zinc/51/95/33/490519533.db2.gz MHMHRXDTOSYAIK-AWEZNQCLSA-N 2 2 350.488 0.460 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423020334 490521555 /nfs/dbraw/zinc/52/15/55/490521555.db2.gz ZZVXMLURFGFQHS-OAHLLOKOSA-N 2 2 364.515 0.980 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000423033417 490525909 /nfs/dbraw/zinc/52/59/09/490525909.db2.gz GPTXCVMLNCRHQZ-UHFFFAOYSA-N 2 2 360.458 0.161 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059840 490533382 /nfs/dbraw/zinc/53/33/82/490533382.db2.gz GVVCXWFIPRHBKM-GJZGRUSLSA-N 2 2 352.479 0.988 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000564890083 491333970 /nfs/dbraw/zinc/33/39/70/491333970.db2.gz ZIURBXAUVOYIRD-KRWDZBQOSA-N 2 2 372.473 0.648 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000564890083 491333973 /nfs/dbraw/zinc/33/39/73/491333973.db2.gz ZIURBXAUVOYIRD-KRWDZBQOSA-N 2 2 372.473 0.648 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000571877731 491334312 /nfs/dbraw/zinc/33/43/12/491334312.db2.gz GYCFHZUIZRVMEM-HOTGVXAUSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000571877731 491334314 /nfs/dbraw/zinc/33/43/14/491334314.db2.gz GYCFHZUIZRVMEM-HOTGVXAUSA-N 2 2 374.489 0.540 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000571875539 491334611 /nfs/dbraw/zinc/33/46/11/491334611.db2.gz RMEBMALGEGFCDD-LSDHHAIUSA-N 2 2 353.463 0.279 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485783785 490558072 /nfs/dbraw/zinc/55/80/72/490558072.db2.gz ITVUSUFRDHOYAA-HNNXBMFYSA-N 2 2 371.445 0.364 20 0 FCADLP O=C(COC1CC[NH2+]CC1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000564914936 491335899 /nfs/dbraw/zinc/33/58/99/491335899.db2.gz DQPUIDVTMHOFKF-UHFFFAOYSA-N 2 2 374.485 0.974 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)[C@@H]1CCNC1=O ZINC000536181473 490560249 /nfs/dbraw/zinc/56/02/49/490560249.db2.gz YOFNPBBJTRSMNZ-MAUKXSAKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000536181473 490560253 /nfs/dbraw/zinc/56/02/53/490560253.db2.gz YOFNPBBJTRSMNZ-MAUKXSAKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013603 490568526 /nfs/dbraw/zinc/56/85/26/490568526.db2.gz FWIJNUUDHNVVBK-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013603 490568529 /nfs/dbraw/zinc/56/85/29/490568529.db2.gz FWIJNUUDHNVVBK-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013603 490568534 /nfs/dbraw/zinc/56/85/34/490568534.db2.gz FWIJNUUDHNVVBK-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013603 490568539 /nfs/dbraw/zinc/56/85/39/490568539.db2.gz FWIJNUUDHNVVBK-RTBURBONSA-N 2 2 368.566 0.824 20 0 FCADLP CC[N@@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@@H](C)C1 ZINC000511309649 490579598 /nfs/dbraw/zinc/57/95/98/490579598.db2.gz TVHMWIKRXUSJCE-ZDUSSCGKSA-N 2 2 357.524 0.776 20 0 FCADLP CC[N@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@@H](C)C1 ZINC000511309649 490579599 /nfs/dbraw/zinc/57/95/99/490579599.db2.gz TVHMWIKRXUSJCE-ZDUSSCGKSA-N 2 2 357.524 0.776 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000549531197 490587220 /nfs/dbraw/zinc/58/72/20/490587220.db2.gz VWORVEKXYHATPN-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000525280520 490591365 /nfs/dbraw/zinc/59/13/65/490591365.db2.gz YYTBBWWBAXCVHX-CQSZACIVSA-N 2 2 359.430 0.657 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000525280520 490591367 /nfs/dbraw/zinc/59/13/67/490591367.db2.gz YYTBBWWBAXCVHX-CQSZACIVSA-N 2 2 359.430 0.657 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)nn1 ZINC000564935009 491338326 /nfs/dbraw/zinc/33/83/26/491338326.db2.gz QYQKRNPPELSCDQ-UHFFFAOYSA-N 2 2 353.430 0.996 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000486222559 490599171 /nfs/dbraw/zinc/59/91/71/490599171.db2.gz IKJHWQRQFVKXGQ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000536674596 490606280 /nfs/dbraw/zinc/60/62/80/490606280.db2.gz VKDXOHHBCFDPAU-UHFFFAOYSA-N 3 2 362.522 0.771 20 0 FCADLP O=C(C[N@@H+]1CCCOCC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000525488140 490608519 /nfs/dbraw/zinc/60/85/19/490608519.db2.gz CPXSWSQWSLHXAK-UHFFFAOYSA-N 2 2 359.470 0.988 20 0 FCADLP O=C(C[N@H+]1CCCOCC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000525488140 490608524 /nfs/dbraw/zinc/60/85/24/490608524.db2.gz CPXSWSQWSLHXAK-UHFFFAOYSA-N 2 2 359.470 0.988 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000550003308 490619443 /nfs/dbraw/zinc/61/94/43/490619443.db2.gz OIHLVSJSQHTFJZ-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000550003308 490619451 /nfs/dbraw/zinc/61/94/51/490619451.db2.gz OIHLVSJSQHTFJZ-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000486452180 490629301 /nfs/dbraw/zinc/62/93/01/490629301.db2.gz PABJCDQIEBUNRO-QQABJKMWSA-N 2 2 374.529 0.968 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000486452180 490629306 /nfs/dbraw/zinc/62/93/06/490629306.db2.gz PABJCDQIEBUNRO-QQABJKMWSA-N 2 2 374.529 0.968 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000550130440 490630123 /nfs/dbraw/zinc/63/01/23/490630123.db2.gz WPPDDJPZNUKSGC-UHFFFAOYSA-N 2 2 361.446 0.155 20 0 FCADLP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460301 490632109 /nfs/dbraw/zinc/63/21/09/490632109.db2.gz MMKJBITWQTXDRN-MRXNPFEDSA-N 2 2 362.449 0.680 20 0 FCADLP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460301 490632114 /nfs/dbraw/zinc/63/21/14/490632114.db2.gz MMKJBITWQTXDRN-MRXNPFEDSA-N 2 2 362.449 0.680 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1cc(F)cc(F)c1 ZINC000486466166 490634835 /nfs/dbraw/zinc/63/48/35/490634835.db2.gz IJDWCJOLHUONHO-MRXNPFEDSA-N 2 2 366.412 0.477 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCc1cc(F)cc(F)c1 ZINC000486466166 490634842 /nfs/dbraw/zinc/63/48/42/490634842.db2.gz IJDWCJOLHUONHO-MRXNPFEDSA-N 2 2 366.412 0.477 20 0 FCADLP COc1cc(CNC(=O)[C@H](C)[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000511888204 490635098 /nfs/dbraw/zinc/63/50/98/490635098.db2.gz YBKFZRRWVXUZHV-HNNXBMFYSA-N 2 2 365.474 0.973 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471835 490637558 /nfs/dbraw/zinc/63/75/58/490637558.db2.gz RVVLWGQERODJJR-ZIAGYGMSSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471835 490637564 /nfs/dbraw/zinc/63/75/64/490637564.db2.gz RVVLWGQERODJJR-ZIAGYGMSSA-N 2 2 350.488 0.822 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001203 491342005 /nfs/dbraw/zinc/34/20/05/491342005.db2.gz BEWWFQKTKXAEDV-RTBURBONSA-N 3 2 359.518 0.385 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000537099113 490647232 /nfs/dbraw/zinc/64/72/32/490647232.db2.gz KBJVEOOSBVDSSR-AWEZNQCLSA-N 2 2 368.503 0.362 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000537160437 490655214 /nfs/dbraw/zinc/65/52/14/490655214.db2.gz QWFNJUYILCBWTB-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000537160437 490655217 /nfs/dbraw/zinc/65/52/17/490655217.db2.gz QWFNJUYILCBWTB-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000537160437 490655221 /nfs/dbraw/zinc/65/52/21/490655221.db2.gz QWFNJUYILCBWTB-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000537160437 490655226 /nfs/dbraw/zinc/65/52/26/490655226.db2.gz QWFNJUYILCBWTB-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000550324603 490660594 /nfs/dbraw/zinc/66/05/94/490660594.db2.gz XOZHYDLGAPHOHS-UHFFFAOYSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000550365004 490665772 /nfs/dbraw/zinc/66/57/72/490665772.db2.gz PPZJIAXBHISOBC-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H](C)OCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000502022788 490668844 /nfs/dbraw/zinc/66/88/44/490668844.db2.gz GETKWABRFSXWNH-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000486842943 490675969 /nfs/dbraw/zinc/67/59/69/490675969.db2.gz RCJNBMIRKBJZMF-AWEZNQCLSA-N 2 2 364.446 0.980 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000486842943 490675972 /nfs/dbraw/zinc/67/59/72/490675972.db2.gz RCJNBMIRKBJZMF-AWEZNQCLSA-N 2 2 364.446 0.980 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(C(=O)OC)c1 ZINC000556942034 491344958 /nfs/dbraw/zinc/34/49/58/491344958.db2.gz BSIWLKSQEVLOIZ-AWEZNQCLSA-N 2 2 364.402 0.366 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(C(=O)OC)c1 ZINC000556942034 491344960 /nfs/dbraw/zinc/34/49/60/491344960.db2.gz BSIWLKSQEVLOIZ-AWEZNQCLSA-N 2 2 364.402 0.366 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000550582311 490678009 /nfs/dbraw/zinc/67/80/09/490678009.db2.gz HFONNIWMIMBDID-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000550582311 490678011 /nfs/dbraw/zinc/67/80/11/490678011.db2.gz HFONNIWMIMBDID-HZPDHXFCSA-N 2 2 370.538 0.839 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000556963918 491345189 /nfs/dbraw/zinc/34/51/89/491345189.db2.gz OTPJQQZHAMKDQQ-OAHLLOKOSA-N 2 2 360.458 0.498 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000556963918 491345191 /nfs/dbraw/zinc/34/51/91/491345191.db2.gz OTPJQQZHAMKDQQ-OAHLLOKOSA-N 2 2 360.458 0.498 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000512431656 490681117 /nfs/dbraw/zinc/68/11/17/490681117.db2.gz IOPHVUNTASLNQT-HOTGVXAUSA-N 2 2 353.511 0.665 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCOCC3)CCN2C1=O ZINC000572060675 491346273 /nfs/dbraw/zinc/34/62/73/491346273.db2.gz RVNGTURSHONWLA-HZPDHXFCSA-N 2 2 373.457 0.295 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991237 491346867 /nfs/dbraw/zinc/34/68/67/491346867.db2.gz XZWHTUZLAHLMTM-DOTOQJQBSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991237 491346870 /nfs/dbraw/zinc/34/68/70/491346870.db2.gz XZWHTUZLAHLMTM-DOTOQJQBSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000556991237 491346872 /nfs/dbraw/zinc/34/68/72/491346872.db2.gz XZWHTUZLAHLMTM-DOTOQJQBSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000556991237 491346875 /nfs/dbraw/zinc/34/68/75/491346875.db2.gz XZWHTUZLAHLMTM-DOTOQJQBSA-N 2 2 367.490 0.631 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000538046180 490706852 /nfs/dbraw/zinc/70/68/52/490706852.db2.gz UEYKGKPSAYZDIP-GASCZTMLSA-N 2 2 363.524 0.126 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000538046180 490706855 /nfs/dbraw/zinc/70/68/55/490706855.db2.gz UEYKGKPSAYZDIP-GASCZTMLSA-N 2 2 363.524 0.126 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000502555620 490709834 /nfs/dbraw/zinc/70/98/34/490709834.db2.gz ANWFAMSYXZAKCH-MRXNPFEDSA-N 2 2 359.536 0.686 20 0 FCADLP CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000513179430 490713060 /nfs/dbraw/zinc/71/30/60/490713060.db2.gz XYFLWSYTHHIGFO-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000513179430 490713062 /nfs/dbraw/zinc/71/30/62/490713062.db2.gz XYFLWSYTHHIGFO-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305485 490716094 /nfs/dbraw/zinc/71/60/94/490716094.db2.gz BQCVYUXAZLTSRA-YEUHBGEBSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@H](C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000527305485 490716095 /nfs/dbraw/zinc/71/60/95/490716095.db2.gz BQCVYUXAZLTSRA-YEUHBGEBSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000527305485 490716096 /nfs/dbraw/zinc/71/60/96/490716096.db2.gz BQCVYUXAZLTSRA-YEUHBGEBSA-N 2 2 362.518 0.794 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000527305485 490716097 /nfs/dbraw/zinc/71/60/97/490716097.db2.gz BQCVYUXAZLTSRA-YEUHBGEBSA-N 2 2 362.518 0.794 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@H]3CC[NH2+]CC3(F)F)CC2)cc[nH+]1 ZINC000572119206 491349481 /nfs/dbraw/zinc/34/94/81/491349481.db2.gz OPUSDEZHEIYFMX-GFCCVEGCSA-N 2 2 354.405 0.436 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000557099760 491353230 /nfs/dbraw/zinc/35/32/30/491353230.db2.gz YDNWXAUWQXAIAT-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCn1cc[nH+]c1 ZINC000513427881 490728597 /nfs/dbraw/zinc/72/85/97/490728597.db2.gz YFYZCQYAIAFVAO-MRXNPFEDSA-N 2 2 363.462 0.103 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000557099760 491353233 /nfs/dbraw/zinc/35/32/33/491353233.db2.gz YDNWXAUWQXAIAT-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184786 490750011 /nfs/dbraw/zinc/75/00/11/490750011.db2.gz JMECPDQCQAAVLD-ROUUACIJSA-N 2 2 368.522 0.896 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184786 490750014 /nfs/dbraw/zinc/75/00/14/490750014.db2.gz JMECPDQCQAAVLD-ROUUACIJSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000488279276 490753071 /nfs/dbraw/zinc/75/30/71/490753071.db2.gz JESUEFLYGPUIKX-QBPKDAKJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000488279276 490753073 /nfs/dbraw/zinc/75/30/73/490753073.db2.gz JESUEFLYGPUIKX-QBPKDAKJSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)SCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000513969966 490756878 /nfs/dbraw/zinc/75/68/78/490756878.db2.gz HKTDJUXNPWFRPX-UHFFFAOYSA-N 2 2 350.554 0.238 20 0 FCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000538922238 490757826 /nfs/dbraw/zinc/75/78/26/490757826.db2.gz NXIQGQWGTIYAMZ-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000538922238 490757828 /nfs/dbraw/zinc/75/78/28/490757828.db2.gz NXIQGQWGTIYAMZ-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000538922238 490757830 /nfs/dbraw/zinc/75/78/30/490757830.db2.gz NXIQGQWGTIYAMZ-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000538922238 490757833 /nfs/dbraw/zinc/75/78/33/490757833.db2.gz NXIQGQWGTIYAMZ-SYMSYNOKSA-N 2 2 370.563 0.822 20 0 FCADLP CCc1nc(CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000514076851 490761426 /nfs/dbraw/zinc/76/14/26/490761426.db2.gz GFTOSGJJFKHNOJ-UHFFFAOYSA-N 2 2 365.547 0.987 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000503562366 490763457 /nfs/dbraw/zinc/76/34/57/490763457.db2.gz NXUISURHCPREOS-UHFFFAOYSA-N 2 2 369.491 0.209 20 0 FCADLP Cc1cc(C)n(-c2ccc(CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cn2)n1 ZINC000557115938 491354063 /nfs/dbraw/zinc/35/40/63/491354063.db2.gz DJNSSAVLBKGSRD-INIZCTEOSA-N 2 2 357.462 0.668 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320953 490776710 /nfs/dbraw/zinc/77/67/10/490776710.db2.gz XCMXTTJPYVUTOM-LTIDMASMSA-N 2 2 357.495 0.026 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000539320953 490776712 /nfs/dbraw/zinc/77/67/12/490776712.db2.gz XCMXTTJPYVUTOM-LTIDMASMSA-N 2 2 357.495 0.026 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000514677619 490781518 /nfs/dbraw/zinc/78/15/18/490781518.db2.gz JTOTXBWMLNQDJK-NSHDSACASA-N 2 2 365.459 0.753 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557135783 491355763 /nfs/dbraw/zinc/35/57/63/491355763.db2.gz ZHSGSHMPXMUGOY-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557135783 491355766 /nfs/dbraw/zinc/35/57/66/491355766.db2.gz ZHSGSHMPXMUGOY-GVDBMIGSSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000557136069 491355802 /nfs/dbraw/zinc/35/58/02/491355802.db2.gz XUFJHAFYNOAQHT-UHFFFAOYSA-N 2 2 358.446 0.466 20 0 FCADLP COC(=O)c1occc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000539703669 490792525 /nfs/dbraw/zinc/79/25/25/490792525.db2.gz NNKKSKKTVZZJNK-AWEZNQCLSA-N 2 2 351.403 0.089 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504331221 490795791 /nfs/dbraw/zinc/79/57/91/490795791.db2.gz GGHRWSLKNTZMIC-QGZVFWFLSA-N 2 2 362.522 0.791 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572226823 491356647 /nfs/dbraw/zinc/35/66/47/491356647.db2.gz DAUDXMFTZLVGJB-MJGOQNOKSA-N 3 2 374.533 0.481 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572226823 491356648 /nfs/dbraw/zinc/35/66/48/491356648.db2.gz DAUDXMFTZLVGJB-MJGOQNOKSA-N 3 2 374.533 0.481 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000515003732 490802756 /nfs/dbraw/zinc/80/27/56/490802756.db2.gz GWGFSBWDQGEBKI-MRXNPFEDSA-N 2 2 361.494 0.382 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000504623693 490807343 /nfs/dbraw/zinc/80/73/43/490807343.db2.gz YXNJNKNWPYDFNF-QGZVFWFLSA-N 2 2 374.551 0.462 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000504623693 490807344 /nfs/dbraw/zinc/80/73/44/490807344.db2.gz YXNJNKNWPYDFNF-QGZVFWFLSA-N 2 2 374.551 0.462 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091344 490808177 /nfs/dbraw/zinc/80/81/77/490808177.db2.gz FEUXAVDJNRBMTP-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091344 490808179 /nfs/dbraw/zinc/80/81/79/490808179.db2.gz FEUXAVDJNRBMTP-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091344 490808182 /nfs/dbraw/zinc/80/81/82/490808182.db2.gz FEUXAVDJNRBMTP-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229790 490810632 /nfs/dbraw/zinc/81/06/32/490810632.db2.gz NOOWNNUZPPUUGM-JZXOWHBKSA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229790 490810635 /nfs/dbraw/zinc/81/06/35/490810635.db2.gz NOOWNNUZPPUUGM-JZXOWHBKSA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229790 490810638 /nfs/dbraw/zinc/81/06/38/490810638.db2.gz NOOWNNUZPPUUGM-JZXOWHBKSA-N 2 2 369.506 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C[C@H](C)O1 ZINC000540229790 490810641 /nfs/dbraw/zinc/81/06/41/490810641.db2.gz NOOWNNUZPPUUGM-JZXOWHBKSA-N 2 2 369.506 0.434 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171583 490811305 /nfs/dbraw/zinc/81/13/05/490811305.db2.gz RQKHTMPWLGHRPH-HIFRSBDPSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc(Cl)cc3)CCN2C1=O ZINC000515171583 490811308 /nfs/dbraw/zinc/81/13/08/490811308.db2.gz RQKHTMPWLGHRPH-HIFRSBDPSA-N 2 2 366.849 0.079 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000515350963 490820948 /nfs/dbraw/zinc/82/09/48/490820948.db2.gz NPTOLEKEPWKAAL-DGCLKSJQSA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000515350963 490820952 /nfs/dbraw/zinc/82/09/52/490820952.db2.gz NPTOLEKEPWKAAL-DGCLKSJQSA-N 2 2 352.385 0.419 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000515395100 490824484 /nfs/dbraw/zinc/82/44/84/490824484.db2.gz GBAAFNCBNHOOHJ-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000515395100 490824485 /nfs/dbraw/zinc/82/44/85/490824485.db2.gz GBAAFNCBNHOOHJ-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CN1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000557193205 491358580 /nfs/dbraw/zinc/35/85/80/491358580.db2.gz HADIYNDFIDLJGQ-IUODEOHRSA-N 2 2 355.433 0.852 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702205 490836258 /nfs/dbraw/zinc/83/62/58/490836258.db2.gz AFSOCCXWQZQFNV-FUHWJXTLSA-N 2 2 363.458 0.132 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000515702205 490836262 /nfs/dbraw/zinc/83/62/62/490836262.db2.gz AFSOCCXWQZQFNV-FUHWJXTLSA-N 2 2 363.458 0.132 20 0 FCADLP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014003 490847681 /nfs/dbraw/zinc/84/76/81/490847681.db2.gz WQLLFKBBCBQOID-FUHWJXTLSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000506014003 490847682 /nfs/dbraw/zinc/84/76/82/490847682.db2.gz WQLLFKBBCBQOID-FUHWJXTLSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529290902 490848368 /nfs/dbraw/zinc/84/83/68/490848368.db2.gz FTJMXDJVKKTCJT-WBVHZDCISA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000529314994 490850231 /nfs/dbraw/zinc/85/02/31/490850231.db2.gz KRECDBGLKTZGDG-SZMVWBNQSA-N 2 2 362.474 0.564 20 0 FCADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000529314994 490850233 /nfs/dbraw/zinc/85/02/33/490850233.db2.gz KRECDBGLKTZGDG-SZMVWBNQSA-N 2 2 362.474 0.564 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH2+]C[C@H]2C(C)C)([NH+]2CCOCC2)C1 ZINC000529321400 490851401 /nfs/dbraw/zinc/85/14/01/490851401.db2.gz IAZRJKZOJSOIQQ-HFCFLWKCSA-N 2 2 368.522 0.896 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CCOCC1 ZINC000529331628 490853923 /nfs/dbraw/zinc/85/39/23/490853923.db2.gz SVZKWOPCIWZHIF-HUUCEWRRSA-N 2 2 351.451 0.658 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000516291379 490859957 /nfs/dbraw/zinc/85/99/57/490859957.db2.gz SRMNKDCWTXFKHP-AWEZNQCLSA-N 2 2 353.488 0.703 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C[NH3+])C1 ZINC000516553953 490867592 /nfs/dbraw/zinc/86/75/92/490867592.db2.gz AHUIVYUIMVTVMH-JSGCOSHPSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C[NH3+])C1 ZINC000516553953 490867593 /nfs/dbraw/zinc/86/75/93/490867593.db2.gz AHUIVYUIMVTVMH-JSGCOSHPSA-N 2 2 365.865 0.730 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)C1(C)C ZINC000516568721 490868813 /nfs/dbraw/zinc/86/88/13/490868813.db2.gz VTRDTJJRBWBMQG-PMUMKWKESA-N 2 2 355.479 0.520 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)C1(C)C ZINC000516568721 490868814 /nfs/dbraw/zinc/86/88/14/490868814.db2.gz VTRDTJJRBWBMQG-PMUMKWKESA-N 2 2 355.479 0.520 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000516731994 490875885 /nfs/dbraw/zinc/87/58/85/490875885.db2.gz CVIRPFSITQSRJM-ZWKOTPCHSA-N 2 2 369.469 0.916 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000516731994 490875888 /nfs/dbraw/zinc/87/58/88/490875888.db2.gz CVIRPFSITQSRJM-ZWKOTPCHSA-N 2 2 369.469 0.916 20 0 FCADLP CS(=O)(=O)N(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000516770913 490877150 /nfs/dbraw/zinc/87/71/50/490877150.db2.gz SURTVVWTSGZPLX-SFHVURJKSA-N 2 2 366.531 0.428 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000542155643 490887477 /nfs/dbraw/zinc/88/74/77/490887477.db2.gz JDLONYTZLBBQOU-DOTOQJQBSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000542155643 490887479 /nfs/dbraw/zinc/88/74/79/490887479.db2.gz JDLONYTZLBBQOU-DOTOQJQBSA-N 2 2 369.506 0.877 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000516963698 490887865 /nfs/dbraw/zinc/88/78/65/490887865.db2.gz UASGMQWICPYSBW-KRWDZBQOSA-N 2 2 353.488 0.642 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000516963698 490887868 /nfs/dbraw/zinc/88/78/68/490887868.db2.gz UASGMQWICPYSBW-KRWDZBQOSA-N 2 2 353.488 0.642 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000542170194 490888089 /nfs/dbraw/zinc/88/80/89/490888089.db2.gz IJKIXZXQJNNOAP-GOSISDBHSA-N 2 2 360.502 0.893 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000557219565 491360344 /nfs/dbraw/zinc/36/03/44/491360344.db2.gz UAJVUXXQXJQVAG-MRXNPFEDSA-N 2 2 363.506 0.634 20 0 FCADLP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000542710120 490904830 /nfs/dbraw/zinc/90/48/30/490904830.db2.gz WIFQPXOHSSZEFO-QGZVFWFLSA-N 2 2 359.474 0.527 20 0 FCADLP [NH3+]CCC1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000517382245 490906373 /nfs/dbraw/zinc/90/63/73/490906373.db2.gz SXSUQGMOMVZUFA-QGZVFWFLSA-N 2 2 356.536 0.965 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000517567214 490912632 /nfs/dbraw/zinc/91/26/32/490912632.db2.gz CQNOFWNHALAFGE-OAHLLOKOSA-N 2 2 355.442 0.293 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000517567214 490912635 /nfs/dbraw/zinc/91/26/35/490912635.db2.gz CQNOFWNHALAFGE-OAHLLOKOSA-N 2 2 355.442 0.293 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1=O ZINC000543050607 490920335 /nfs/dbraw/zinc/92/03/35/490920335.db2.gz KNTSDTWVAOCEBG-OWCLPIDISA-N 2 2 374.489 0.647 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1=O ZINC000543050607 490920338 /nfs/dbraw/zinc/92/03/38/490920338.db2.gz KNTSDTWVAOCEBG-OWCLPIDISA-N 2 2 374.489 0.647 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000517865049 490923093 /nfs/dbraw/zinc/92/30/93/490923093.db2.gz VDENDSBTIKDQQA-MRXNPFEDSA-N 2 2 371.526 0.195 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000517865049 490923096 /nfs/dbraw/zinc/92/30/96/490923096.db2.gz VDENDSBTIKDQQA-MRXNPFEDSA-N 2 2 371.526 0.195 20 0 FCADLP CC(C)[NH2+]CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000517965478 490926743 /nfs/dbraw/zinc/92/67/43/490926743.db2.gz NIMTZRQZQZNJPY-HNNXBMFYSA-N 2 2 362.478 0.396 20 0 FCADLP CC(C)[NH2+]CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000517965478 490926745 /nfs/dbraw/zinc/92/67/45/490926745.db2.gz NIMTZRQZQZNJPY-HNNXBMFYSA-N 2 2 362.478 0.396 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000572354949 491364808 /nfs/dbraw/zinc/36/48/08/491364808.db2.gz WMPODUMQCXIMOY-RYQLBKOJSA-N 2 2 356.470 0.397 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000572354949 491364810 /nfs/dbraw/zinc/36/48/10/491364810.db2.gz WMPODUMQCXIMOY-RYQLBKOJSA-N 2 2 356.470 0.397 20 0 FCADLP CCC[NH+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000530908528 490931674 /nfs/dbraw/zinc/93/16/74/490931674.db2.gz MYGQRWZKLDFNGM-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000518297176 490935900 /nfs/dbraw/zinc/93/59/00/490935900.db2.gz JTEBBJUVYOUVJM-INIZCTEOSA-N 2 2 356.511 0.489 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000518297176 490935903 /nfs/dbraw/zinc/93/59/03/490935903.db2.gz JTEBBJUVYOUVJM-INIZCTEOSA-N 2 2 356.511 0.489 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000531073582 490939397 /nfs/dbraw/zinc/93/93/97/490939397.db2.gz YYMPNNJLMOAHOJ-ZDUSSCGKSA-N 2 2 358.402 0.372 20 0 FCADLP O=C(CC[NH2+]C1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000518397269 490939961 /nfs/dbraw/zinc/93/99/61/490939961.db2.gz MBCHAOPCJMEXAZ-UHFFFAOYSA-N 2 2 360.462 0.104 20 0 FCADLP O=C(CC[NH2+]C1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000518397269 490939964 /nfs/dbraw/zinc/93/99/64/490939964.db2.gz MBCHAOPCJMEXAZ-UHFFFAOYSA-N 2 2 360.462 0.104 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000518496630 490943410 /nfs/dbraw/zinc/94/34/10/490943410.db2.gz YMPGQQJNCSYAAV-LBPRGKRZSA-N 2 2 354.838 0.896 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000518496630 490943411 /nfs/dbraw/zinc/94/34/11/490943411.db2.gz YMPGQQJNCSYAAV-LBPRGKRZSA-N 2 2 354.838 0.896 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000518815441 490952803 /nfs/dbraw/zinc/95/28/03/490952803.db2.gz XFHVROYWGGFSLP-UHFFFAOYSA-N 2 2 357.458 0.936 20 0 FCADLP C[C@@H](CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+]1CCCCC1 ZINC000544330872 490965511 /nfs/dbraw/zinc/96/55/11/490965511.db2.gz RMIZPJUKVYVMIU-HNNXBMFYSA-N 2 2 353.511 0.842 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[NH+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000519284266 490967474 /nfs/dbraw/zinc/96/74/74/490967474.db2.gz NGXPMLCBHDYPDT-JFIYKMOQSA-N 2 2 351.495 0.008 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])cc1 ZINC000519653891 490982428 /nfs/dbraw/zinc/98/24/28/490982428.db2.gz MCGFRKZCGVNAHE-BYCMXARLSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])cc1 ZINC000519653891 490982430 /nfs/dbraw/zinc/98/24/30/490982430.db2.gz MCGFRKZCGVNAHE-BYCMXARLSA-N 2 2 352.460 0.332 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC)cc1 ZINC000519702832 490985112 /nfs/dbraw/zinc/98/51/12/490985112.db2.gz GZSZZHQABQRVHW-DZGCQCFKSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC)cc1 ZINC000519702832 490985113 /nfs/dbraw/zinc/98/51/13/490985113.db2.gz GZSZZHQABQRVHW-DZGCQCFKSA-N 2 2 359.492 0.184 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744593 490987848 /nfs/dbraw/zinc/98/78/48/490987848.db2.gz NCCWHHXDBUZRTI-SOLBZPMBSA-N 2 2 366.506 0.296 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744593 490987851 /nfs/dbraw/zinc/98/78/51/490987851.db2.gz NCCWHHXDBUZRTI-SOLBZPMBSA-N 2 2 366.506 0.296 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532472211 490993253 /nfs/dbraw/zinc/99/32/53/490993253.db2.gz LOCBQJGWRWBSMP-MRXNPFEDSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532472211 490993254 /nfs/dbraw/zinc/99/32/54/490993254.db2.gz LOCBQJGWRWBSMP-MRXNPFEDSA-N 2 2 371.485 0.863 20 0 FCADLP C[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000569574635 491169607 /nfs/dbraw/zinc/16/96/07/491169607.db2.gz LBLYJUYRTOCUSO-AWEZNQCLSA-N 2 2 353.488 0.529 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000562697517 491182447 /nfs/dbraw/zinc/18/24/47/491182447.db2.gz VCOCMCJCFGCOPI-MRXNPFEDSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569710804 491184283 /nfs/dbraw/zinc/18/42/83/491184283.db2.gz WSMTXZGLOKOUPQ-LUYZLQTOSA-N 2 2 358.442 0.259 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569710804 491184285 /nfs/dbraw/zinc/18/42/85/491184285.db2.gz WSMTXZGLOKOUPQ-LUYZLQTOSA-N 2 2 358.442 0.259 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224511 491185407 /nfs/dbraw/zinc/18/54/07/491185407.db2.gz FXZPAAWPXJQXSU-HZPDHXFCSA-N 2 2 366.531 0.874 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224511 491185411 /nfs/dbraw/zinc/18/54/11/491185411.db2.gz FXZPAAWPXJQXSU-HZPDHXFCSA-N 2 2 366.531 0.874 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572501701 491374955 /nfs/dbraw/zinc/37/49/55/491374955.db2.gz BGDSLEZZRXIWLY-HNNXBMFYSA-N 2 2 364.515 0.898 20 0 FCADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000572612676 491381440 /nfs/dbraw/zinc/38/14/40/491381440.db2.gz TWSBJZYQCWPNAH-MRXNPFEDSA-N 2 2 353.488 0.726 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592992 491387544 /nfs/dbraw/zinc/38/75/44/491387544.db2.gz BAWOIOUCRTZCKR-UONOGXRCSA-N 2 2 368.432 0.937 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592992 491387546 /nfs/dbraw/zinc/38/75/46/491387546.db2.gz BAWOIOUCRTZCKR-UONOGXRCSA-N 2 2 368.432 0.937 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557706759 491392669 /nfs/dbraw/zinc/39/26/69/491392669.db2.gz PAWJUKAGJRMCQH-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557706759 491392670 /nfs/dbraw/zinc/39/26/70/491392670.db2.gz PAWJUKAGJRMCQH-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557706762 491392781 /nfs/dbraw/zinc/39/27/81/491392781.db2.gz PAWJUKAGJRMCQH-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000557706762 491392782 /nfs/dbraw/zinc/39/27/82/491392782.db2.gz PAWJUKAGJRMCQH-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572823335 491395805 /nfs/dbraw/zinc/39/58/05/491395805.db2.gz XJDOYLUACQCQCH-XJKSGUPXSA-N 2 2 350.488 0.507 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000572907296 491401195 /nfs/dbraw/zinc/40/11/95/491401195.db2.gz JSCCGAQZRIJNPM-SFHVURJKSA-N 2 2 370.497 0.726 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000572907296 491401198 /nfs/dbraw/zinc/40/11/98/491401198.db2.gz JSCCGAQZRIJNPM-SFHVURJKSA-N 2 2 370.497 0.726 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000565825763 491401385 /nfs/dbraw/zinc/40/13/85/491401385.db2.gz IXWWKSPDYKXIJN-CABCVRRESA-N 2 2 364.494 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000565870820 491404371 /nfs/dbraw/zinc/40/43/71/491404371.db2.gz UOXGRKDTLQSISS-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000565870820 491404372 /nfs/dbraw/zinc/40/43/72/491404372.db2.gz UOXGRKDTLQSISS-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000565870820 491404375 /nfs/dbraw/zinc/40/43/75/491404375.db2.gz UOXGRKDTLQSISS-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000565870820 491404377 /nfs/dbraw/zinc/40/43/77/491404377.db2.gz UOXGRKDTLQSISS-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)[C@H](C[NH3+])C1 ZINC000565881763 491404981 /nfs/dbraw/zinc/40/49/81/491404981.db2.gz URIQOYQTYUYKFJ-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)[C@H](C[NH3+])C1 ZINC000565881763 491404982 /nfs/dbraw/zinc/40/49/82/491404982.db2.gz URIQOYQTYUYKFJ-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000565913019 491407064 /nfs/dbraw/zinc/40/70/64/491407064.db2.gz RVSZOEVSMJUQLE-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000565913019 491407065 /nfs/dbraw/zinc/40/70/65/491407065.db2.gz RVSZOEVSMJUQLE-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000565945168 491408666 /nfs/dbraw/zinc/40/86/66/491408666.db2.gz ZEMOAEJPTNGBIW-FQEVSTJZSA-N 2 2 358.486 0.588 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000565945168 491408667 /nfs/dbraw/zinc/40/86/67/491408667.db2.gz ZEMOAEJPTNGBIW-FQEVSTJZSA-N 2 2 358.486 0.588 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000573088438 491411380 /nfs/dbraw/zinc/41/13/80/491411380.db2.gz NZPRTYAFEYJREK-HNNXBMFYSA-N 2 2 361.446 0.423 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660297788 493341160 /nfs/dbraw/zinc/34/11/60/493341160.db2.gz QEEVMPPUJQBEQQ-IAGOWNOFSA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1=O ZINC000573119902 491414571 /nfs/dbraw/zinc/41/45/71/491414571.db2.gz UZJSZLLOQAMUQF-QGZVFWFLSA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)N1CC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1=O ZINC000573119902 491414572 /nfs/dbraw/zinc/41/45/72/491414572.db2.gz UZJSZLLOQAMUQF-QGZVFWFLSA-N 2 2 352.523 0.772 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000558337088 491426449 /nfs/dbraw/zinc/42/64/49/491426449.db2.gz IALKFVXPLWXULE-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000558337088 491426451 /nfs/dbraw/zinc/42/64/51/491426451.db2.gz IALKFVXPLWXULE-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000558337088 491426453 /nfs/dbraw/zinc/42/64/53/491426453.db2.gz IALKFVXPLWXULE-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000558337088 491426455 /nfs/dbraw/zinc/42/64/55/491426455.db2.gz IALKFVXPLWXULE-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000558459860 491432073 /nfs/dbraw/zinc/43/20/73/491432073.db2.gz QSVIYPLWXRIQNM-KRWDZBQOSA-N 2 2 356.511 0.258 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000558459860 491432075 /nfs/dbraw/zinc/43/20/75/491432075.db2.gz QSVIYPLWXRIQNM-KRWDZBQOSA-N 2 2 356.511 0.258 20 0 FCADLP COC(=O)[C@@H](NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000558459860 491432077 /nfs/dbraw/zinc/43/20/77/491432077.db2.gz QSVIYPLWXRIQNM-KRWDZBQOSA-N 2 2 356.511 0.258 20 0 FCADLP COC(=O)[C@@H](NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000558459860 491432078 /nfs/dbraw/zinc/43/20/78/491432078.db2.gz QSVIYPLWXRIQNM-KRWDZBQOSA-N 2 2 356.511 0.258 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000573437968 491433491 /nfs/dbraw/zinc/43/34/91/491433491.db2.gz STNGVCNXTRQFIJ-CQSZACIVSA-N 2 2 371.478 0.776 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000573437968 491433494 /nfs/dbraw/zinc/43/34/94/491433494.db2.gz STNGVCNXTRQFIJ-CQSZACIVSA-N 2 2 371.478 0.776 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000566436146 491443094 /nfs/dbraw/zinc/44/30/94/491443094.db2.gz AMUOUXNIOLZDPJ-KRWDZBQOSA-N 2 2 367.519 0.382 20 0 FCADLP CC(C)CN1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000558740630 491444914 /nfs/dbraw/zinc/44/49/14/491444914.db2.gz BIRPUUZTPFINTA-INIZCTEOSA-N 2 2 351.495 0.228 20 0 FCADLP CC(C)CN1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCN2C1=O ZINC000558740630 491444916 /nfs/dbraw/zinc/44/49/16/491444916.db2.gz BIRPUUZTPFINTA-INIZCTEOSA-N 2 2 351.495 0.228 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C[NH3+])C1 ZINC000573665518 491447142 /nfs/dbraw/zinc/44/71/42/491447142.db2.gz FKCNJYJIWBEDIN-CQSZACIVSA-N 2 2 367.475 0.234 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C[NH3+])C1 ZINC000573665518 491447145 /nfs/dbraw/zinc/44/71/45/491447145.db2.gz FKCNJYJIWBEDIN-CQSZACIVSA-N 2 2 367.475 0.234 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000660330582 493343617 /nfs/dbraw/zinc/34/36/17/493343617.db2.gz TYWGLMLGLQKTGQ-UHFFFAOYSA-N 2 2 374.489 0.691 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCN2C1=O ZINC000566512695 491451049 /nfs/dbraw/zinc/45/10/49/491451049.db2.gz NWOZSWGKMAOSRZ-ZFWWWQNUSA-N 2 2 372.404 0.465 20 0 FCADLP Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)O2)n1 ZINC000566614850 491456302 /nfs/dbraw/zinc/45/63/02/491456302.db2.gz BCBKPZPPVKMCAN-FSNAAORZSA-N 2 2 354.451 0.658 20 0 FCADLP Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)O2)n1 ZINC000566614850 491456303 /nfs/dbraw/zinc/45/63/03/491456303.db2.gz BCBKPZPPVKMCAN-FSNAAORZSA-N 2 2 354.451 0.658 20 0 FCADLP C[C@@H](CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)n1cc[nH+]c1 ZINC000573809244 491456404 /nfs/dbraw/zinc/45/64/04/491456404.db2.gz YPFJOMZTLNXYBU-INIZCTEOSA-N 2 2 357.462 0.953 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566631251 491457498 /nfs/dbraw/zinc/45/74/98/491457498.db2.gz MURVJFDOMGIIIO-FRFSOERESA-N 2 2 369.469 0.459 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566631251 491457500 /nfs/dbraw/zinc/45/75/00/491457500.db2.gz MURVJFDOMGIIIO-FRFSOERESA-N 2 2 369.469 0.459 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000573867759 491459935 /nfs/dbraw/zinc/45/99/35/491459935.db2.gz SJVWEVDTEJGWEX-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000566736464 491463626 /nfs/dbraw/zinc/46/36/26/491463626.db2.gz AIPSXSJMTQLYFD-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000566736464 491463628 /nfs/dbraw/zinc/46/36/28/491463628.db2.gz AIPSXSJMTQLYFD-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP COc1ccc([C@H](NC(=O)c2cn(CCC[NH3+])nn2)c2[nH+]ccn2C)cc1 ZINC000566735197 491463952 /nfs/dbraw/zinc/46/39/52/491463952.db2.gz BPKIHVQZOGOHIW-INIZCTEOSA-N 2 2 369.429 0.888 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000566817803 491469182 /nfs/dbraw/zinc/46/91/82/491469182.db2.gz TXGRFPYWQBZPAG-OAHLLOKOSA-N 2 2 365.478 0.542 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000566817803 491469184 /nfs/dbraw/zinc/46/91/84/491469184.db2.gz TXGRFPYWQBZPAG-OAHLLOKOSA-N 2 2 365.478 0.542 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000559387054 491469681 /nfs/dbraw/zinc/46/96/81/491469681.db2.gz DKOKVLSKYHYLQF-MRXNPFEDSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000559460894 491475492 /nfs/dbraw/zinc/47/54/92/491475492.db2.gz OIIWYCAOKDXKJK-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000559550540 491480178 /nfs/dbraw/zinc/48/01/78/491480178.db2.gz MVTYDKLKHWCBNK-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549433 491480336 /nfs/dbraw/zinc/48/03/36/491480336.db2.gz DMNZCKRSTPNINP-UAGQMJEPSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549433 491480337 /nfs/dbraw/zinc/48/03/37/491480337.db2.gz DMNZCKRSTPNINP-UAGQMJEPSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000574215988 491481872 /nfs/dbraw/zinc/48/18/72/491481872.db2.gz VHDJHBJZMGHXMQ-KRWDZBQOSA-N 2 2 366.506 0.014 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559596500 491484031 /nfs/dbraw/zinc/48/40/31/491484031.db2.gz BZLBFCQHMANLBC-OAHLLOKOSA-N 2 2 357.458 0.651 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000559596500 491484033 /nfs/dbraw/zinc/48/40/33/491484033.db2.gz BZLBFCQHMANLBC-OAHLLOKOSA-N 2 2 357.458 0.651 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262112 491484560 /nfs/dbraw/zinc/48/45/60/491484560.db2.gz GVWIHKMXCKQFHF-ZWKOTPCHSA-N 3 2 361.490 0.038 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262112 491484562 /nfs/dbraw/zinc/48/45/62/491484562.db2.gz GVWIHKMXCKQFHF-ZWKOTPCHSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262112 491484563 /nfs/dbraw/zinc/48/45/63/491484563.db2.gz GVWIHKMXCKQFHF-ZWKOTPCHSA-N 3 2 361.490 0.038 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000574262112 491484565 /nfs/dbraw/zinc/48/45/65/491484565.db2.gz GVWIHKMXCKQFHF-ZWKOTPCHSA-N 3 2 361.490 0.038 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636437 491488373 /nfs/dbraw/zinc/48/83/73/491488373.db2.gz BIUMYXLEBFUIIO-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636437 491488374 /nfs/dbraw/zinc/48/83/74/491488374.db2.gz BIUMYXLEBFUIIO-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636437 491488375 /nfs/dbraw/zinc/48/83/75/491488375.db2.gz BIUMYXLEBFUIIO-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000559636437 491488376 /nfs/dbraw/zinc/48/83/76/491488376.db2.gz BIUMYXLEBFUIIO-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)no1 ZINC000567270531 491496224 /nfs/dbraw/zinc/49/62/24/491496224.db2.gz CQWMIEKQHFKPFP-IAGOWNOFSA-N 2 2 358.442 1.537 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)no1 ZINC000567270531 491496226 /nfs/dbraw/zinc/49/62/26/491496226.db2.gz CQWMIEKQHFKPFP-IAGOWNOFSA-N 2 2 358.442 1.537 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000567278349 491496608 /nfs/dbraw/zinc/49/66/08/491496608.db2.gz PMESKGMOJFONNG-BMFZPTHFSA-N 2 2 374.489 0.214 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000567278349 491496610 /nfs/dbraw/zinc/49/66/10/491496610.db2.gz PMESKGMOJFONNG-BMFZPTHFSA-N 2 2 374.489 0.214 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCSC1 ZINC000567305344 491498214 /nfs/dbraw/zinc/49/82/14/491498214.db2.gz FZGXQMHFXPYCTK-CQSZACIVSA-N 2 2 356.536 0.340 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCSC1 ZINC000567305344 491498217 /nfs/dbraw/zinc/49/82/17/491498217.db2.gz FZGXQMHFXPYCTK-CQSZACIVSA-N 2 2 356.536 0.340 20 0 FCADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000559794967 491500477 /nfs/dbraw/zinc/50/04/77/491500477.db2.gz SCPBAKSAQZGGPM-IRXDYDNUSA-N 2 2 368.522 0.261 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000574510906 491501447 /nfs/dbraw/zinc/50/14/47/491501447.db2.gz AGUQDHYUZVEWSQ-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000574510906 491501448 /nfs/dbraw/zinc/50/14/48/491501448.db2.gz AGUQDHYUZVEWSQ-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP CN1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000574546912 491504521 /nfs/dbraw/zinc/50/45/21/491504521.db2.gz VKHGMLGJJAZUKT-MSOLQXFVSA-N 2 2 361.490 0.344 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCSC1 ZINC000559865610 491506178 /nfs/dbraw/zinc/50/61/78/491506178.db2.gz SKAHUCNCPGKBBP-INIZCTEOSA-N 2 2 353.492 0.333 20 0 FCADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000567487718 491509041 /nfs/dbraw/zinc/50/90/41/491509041.db2.gz XYVRHXAIXWRTDE-AOIWGVFYSA-N 2 2 356.470 0.806 20 0 FCADLP C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000559962111 491512168 /nfs/dbraw/zinc/51/21/68/491512168.db2.gz NSFLFNWWPBJGKZ-LBPRGKRZSA-N 2 2 355.464 0.052 20 0 FCADLP CCNc1nc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000567533616 491512351 /nfs/dbraw/zinc/51/23/51/491512351.db2.gz PMEGSYSFIWGLGF-CHWSQXEVSA-N 2 2 351.499 0.879 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000574676853 491512726 /nfs/dbraw/zinc/51/27/26/491512726.db2.gz VNKZPAVCTYRYKL-CABCVRRESA-N 2 2 370.457 0.764 20 0 FCADLP C[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000574754401 491518053 /nfs/dbraw/zinc/51/80/53/491518053.db2.gz BEVHILPUQRLTSX-CRAIPNDOSA-N 2 2 364.465 0.912 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574791784 491520145 /nfs/dbraw/zinc/52/01/45/491520145.db2.gz OTBXMDCESUIXKS-INIZCTEOSA-N 2 2 355.442 0.675 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574791784 491520146 /nfs/dbraw/zinc/52/01/46/491520146.db2.gz OTBXMDCESUIXKS-INIZCTEOSA-N 2 2 355.442 0.675 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000574939200 491529304 /nfs/dbraw/zinc/52/93/04/491529304.db2.gz GGWLXINZXMTPFR-IVMMDQJWSA-N 2 2 359.474 0.784 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000574939200 491529306 /nfs/dbraw/zinc/52/93/06/491529306.db2.gz GGWLXINZXMTPFR-IVMMDQJWSA-N 2 2 359.474 0.784 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000567802107 491530658 /nfs/dbraw/zinc/53/06/58/491530658.db2.gz XIRWMXBJFQFNTI-ZACQAIPSSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H](C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000574982692 491531729 /nfs/dbraw/zinc/53/17/29/491531729.db2.gz HSSCQCYRSGBYOB-GJZGRUSLSA-N 2 2 361.442 0.201 20 0 FCADLP C[C@H](C(=O)NC[C@H]1C[NH2+]CCN1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000567845096 491534534 /nfs/dbraw/zinc/53/45/34/491534534.db2.gz JYOCDNRHPNUVQE-CRAIPNDOSA-N 2 2 363.481 0.356 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000575046191 491535668 /nfs/dbraw/zinc/53/56/68/491535668.db2.gz GHYMYOHHKOHVPF-XMTFNYHQSA-N 2 2 352.475 0.794 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000575046191 491535670 /nfs/dbraw/zinc/53/56/70/491535670.db2.gz GHYMYOHHKOHVPF-XMTFNYHQSA-N 2 2 352.475 0.794 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C1CC([NH3+])C1 ZINC000567895410 491539086 /nfs/dbraw/zinc/53/90/86/491539086.db2.gz HMUURVYGUOGUTF-UHFFFAOYSA-N 2 2 360.458 0.197 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C1CC([NH3+])C1 ZINC000567895410 491539089 /nfs/dbraw/zinc/53/90/89/491539089.db2.gz HMUURVYGUOGUTF-UHFFFAOYSA-N 2 2 360.458 0.197 20 0 FCADLP Cc1ccc(C(=O)N2CCC(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2)cc1 ZINC000575108198 491539812 /nfs/dbraw/zinc/53/98/12/491539812.db2.gz HESNWPBBGREMLG-GOSISDBHSA-N 2 2 373.501 0.884 20 0 FCADLP Cc1ccc(C(=O)N2CCC(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2)cc1 ZINC000575108198 491539814 /nfs/dbraw/zinc/53/98/14/491539814.db2.gz HESNWPBBGREMLG-GOSISDBHSA-N 2 2 373.501 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000567901687 491539986 /nfs/dbraw/zinc/53/99/86/491539986.db2.gz BYBGBJVSACOSDM-UKRRQHHQSA-N 2 2 353.488 0.831 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCOCC1 ZINC000575151510 491542259 /nfs/dbraw/zinc/54/22/59/491542259.db2.gz YKBKUEDPZONLBY-GOSISDBHSA-N 2 2 374.485 0.744 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2CC)CC1 ZINC000560501976 491543075 /nfs/dbraw/zinc/54/30/75/491543075.db2.gz POVQCAQPNMVPSU-INIZCTEOSA-N 2 2 353.511 0.713 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC)CC1 ZINC000560501976 491543076 /nfs/dbraw/zinc/54/30/76/491543076.db2.gz POVQCAQPNMVPSU-INIZCTEOSA-N 2 2 353.511 0.713 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000575163838 491543245 /nfs/dbraw/zinc/54/32/45/491543245.db2.gz YSVQTFYSGPSXML-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000575163838 491543247 /nfs/dbraw/zinc/54/32/47/491543247.db2.gz YSVQTFYSGPSXML-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575196666 491545087 /nfs/dbraw/zinc/54/50/87/491545087.db2.gz SVGPEFHEMZZNCG-MSOLQXFVSA-N 2 2 372.513 0.887 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575196666 491545090 /nfs/dbraw/zinc/54/50/90/491545090.db2.gz SVGPEFHEMZZNCG-MSOLQXFVSA-N 2 2 372.513 0.887 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000560653890 491550124 /nfs/dbraw/zinc/55/01/24/491550124.db2.gz JSFGFQGDBSIHMZ-SFHVURJKSA-N 2 2 370.497 0.992 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000560653890 491550125 /nfs/dbraw/zinc/55/01/25/491550125.db2.gz JSFGFQGDBSIHMZ-SFHVURJKSA-N 2 2 370.497 0.992 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000575376985 491551605 /nfs/dbraw/zinc/55/16/05/491551605.db2.gz BYVCZBQEKSTSFS-BBWFWOEESA-N 2 2 357.539 0.936 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000575376985 491551608 /nfs/dbraw/zinc/55/16/08/491551608.db2.gz BYVCZBQEKSTSFS-BBWFWOEESA-N 2 2 357.539 0.936 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000575740574 491557448 /nfs/dbraw/zinc/55/74/48/491557448.db2.gz CLTSFUMEZLEUMN-ZNMIVQPWSA-N 2 2 361.442 0.342 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000575740574 491557450 /nfs/dbraw/zinc/55/74/50/491557450.db2.gz CLTSFUMEZLEUMN-ZNMIVQPWSA-N 2 2 361.442 0.342 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000560797685 491558232 /nfs/dbraw/zinc/55/82/32/491558232.db2.gz SPTUHTZDGDSCHA-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000560797685 491558234 /nfs/dbraw/zinc/55/82/34/491558234.db2.gz SPTUHTZDGDSCHA-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748700 491558501 /nfs/dbraw/zinc/55/85/01/491558501.db2.gz UADBVRCQBFJIBP-CHWSQXEVSA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1S(N)(=O)=O ZINC000575748700 491558502 /nfs/dbraw/zinc/55/85/02/491558502.db2.gz UADBVRCQBFJIBP-CHWSQXEVSA-N 2 2 354.476 0.640 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000575782745 491560830 /nfs/dbraw/zinc/56/08/30/491560830.db2.gz PJYCNSBBWKLMEU-FMKPAKJESA-N 2 2 355.442 0.835 20 0 FCADLP CN(CC1CCC1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560873920 491560969 /nfs/dbraw/zinc/56/09/69/491560969.db2.gz IDMMJVAGKGWVNV-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000568229483 491561250 /nfs/dbraw/zinc/56/12/50/491561250.db2.gz GKJNYJPGZUXKIM-IBGZPJMESA-N 3 2 359.518 0.978 20 0 FCADLP C[N@H+]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000568229483 491561251 /nfs/dbraw/zinc/56/12/51/491561251.db2.gz GKJNYJPGZUXKIM-IBGZPJMESA-N 3 2 359.518 0.978 20 0 FCADLP [NH3+][C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000568249425 491562380 /nfs/dbraw/zinc/56/23/80/491562380.db2.gz QDEQYGOYJZOFPK-HOTGVXAUSA-N 3 2 367.519 0.393 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c(OC)c1 ZINC000560992573 491568942 /nfs/dbraw/zinc/56/89/42/491568942.db2.gz VLGHNHKKBXZNNX-LBPRGKRZSA-N 2 2 366.418 0.597 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c(OC)c1 ZINC000560992573 491568943 /nfs/dbraw/zinc/56/89/43/491568943.db2.gz VLGHNHKKBXZNNX-LBPRGKRZSA-N 2 2 366.418 0.597 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+]([C@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928123 491570758 /nfs/dbraw/zinc/57/07/58/491570758.db2.gz BFRXLSXKDCFNHY-YOEHRIQHSA-N 2 2 359.474 0.565 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000576014773 491576608 /nfs/dbraw/zinc/57/66/08/491576608.db2.gz PNICWOUGGOUHDC-IAGOWNOFSA-N 2 2 354.520 0.589 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CCC2 ZINC000568436981 491577378 /nfs/dbraw/zinc/57/73/78/491577378.db2.gz KTGFOUIPJOVDOH-HOCLYGCPSA-N 2 2 359.474 0.952 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CCC2 ZINC000568436981 491577381 /nfs/dbraw/zinc/57/73/81/491577381.db2.gz KTGFOUIPJOVDOH-HOCLYGCPSA-N 2 2 359.474 0.952 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000561137824 491578202 /nfs/dbraw/zinc/57/82/02/491578202.db2.gz UJIFRJKRVOAVNB-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000561158125 491579006 /nfs/dbraw/zinc/57/90/06/491579006.db2.gz RWSQTMMQUJZXLF-QZTJIDSGSA-N 2 2 362.474 0.299 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCO1 ZINC000561158124 491579158 /nfs/dbraw/zinc/57/91/58/491579158.db2.gz RWSQTMMQUJZXLF-MSOLQXFVSA-N 2 2 362.474 0.299 20 0 FCADLP CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000568502744 491580866 /nfs/dbraw/zinc/58/08/66/491580866.db2.gz ZQMUZZITUHGCTI-HZSPNIEDSA-N 2 2 371.503 0.922 20 0 FCADLP CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000568502744 491580868 /nfs/dbraw/zinc/58/08/68/491580868.db2.gz ZQMUZZITUHGCTI-HZSPNIEDSA-N 2 2 371.503 0.922 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[N@H+](C)C1CC1 ZINC000561180691 491581090 /nfs/dbraw/zinc/58/10/90/491581090.db2.gz ZXVMUNWZEUBHRK-AWEZNQCLSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[N@@H+](C)C1CC1 ZINC000561180691 491581091 /nfs/dbraw/zinc/58/10/91/491581091.db2.gz ZXVMUNWZEUBHRK-AWEZNQCLSA-N 2 2 364.515 0.991 20 0 FCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000568510812 491581777 /nfs/dbraw/zinc/58/17/77/491581777.db2.gz AZLXFJNWAJPCOP-QWHCGFSZSA-N 2 2 365.243 0.840 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCC2CC[NH+](CC(F)F)CC2)CC1=O ZINC000584360937 491582892 /nfs/dbraw/zinc/58/28/92/491582892.db2.gz WAFUBVGGWRNONY-AWEZNQCLSA-N 2 2 360.449 0.490 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000561209360 491583569 /nfs/dbraw/zinc/58/35/69/491583569.db2.gz AIWMELXEJHZKPA-MRXNPFEDSA-N 2 2 355.479 0.585 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000561209360 491583571 /nfs/dbraw/zinc/58/35/71/491583571.db2.gz AIWMELXEJHZKPA-MRXNPFEDSA-N 2 2 355.479 0.585 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000561216689 491584106 /nfs/dbraw/zinc/58/41/06/491584106.db2.gz KNTVOLOMNORIJC-UHFFFAOYSA-N 2 2 353.511 0.890 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000577081556 491587695 /nfs/dbraw/zinc/58/76/95/491587695.db2.gz NVAVOPFZZXQGCN-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH2+][C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000576163218 491587990 /nfs/dbraw/zinc/58/79/90/491587990.db2.gz FHFTZZWWHHFWNZ-SFHVURJKSA-N 2 2 356.474 0.619 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121771 491591989 /nfs/dbraw/zinc/59/19/89/491591989.db2.gz IYKAJZURLRCVCU-MOPGFXCFSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121771 491591994 /nfs/dbraw/zinc/59/19/94/491591994.db2.gz IYKAJZURLRCVCU-MOPGFXCFSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121771 491591998 /nfs/dbraw/zinc/59/19/98/491591998.db2.gz IYKAJZURLRCVCU-MOPGFXCFSA-N 2 2 354.466 0.992 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000577121771 491592000 /nfs/dbraw/zinc/59/20/00/491592000.db2.gz IYKAJZURLRCVCU-MOPGFXCFSA-N 2 2 354.466 0.992 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000673652081 493353406 /nfs/dbraw/zinc/35/34/06/493353406.db2.gz YMWXOLVRFGBBOK-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000673652081 493353408 /nfs/dbraw/zinc/35/34/08/493353408.db2.gz YMWXOLVRFGBBOK-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP COc1ccc(C[N@H+](CCN2CC[NH2+]CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000568632616 491594730 /nfs/dbraw/zinc/59/47/30/491594730.db2.gz WHHRGJDVEVFABL-KRWDZBQOSA-N 2 2 367.515 0.590 20 0 FCADLP COc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000568632616 491594731 /nfs/dbraw/zinc/59/47/31/491594731.db2.gz WHHRGJDVEVFABL-KRWDZBQOSA-N 2 2 367.515 0.590 20 0 FCADLP CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000576230894 491595220 /nfs/dbraw/zinc/59/52/20/491595220.db2.gz RKZXHZYOULOZRL-PBHICJAKSA-N 2 2 357.458 0.784 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000577162027 491596508 /nfs/dbraw/zinc/59/65/08/491596508.db2.gz FQIDBBDOPGJXLH-LLVKDONJSA-N 2 2 373.454 0.183 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000577162027 491596513 /nfs/dbraw/zinc/59/65/13/491596513.db2.gz FQIDBBDOPGJXLH-LLVKDONJSA-N 2 2 373.454 0.183 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577188284 491599893 /nfs/dbraw/zinc/59/98/93/491599893.db2.gz CCACHORQUXTTGZ-HUUCEWRRSA-N 2 2 363.462 0.722 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000577208786 491601833 /nfs/dbraw/zinc/60/18/33/491601833.db2.gz DTTLJVDGORTGDH-KRWDZBQOSA-N 2 2 369.469 0.939 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000561366977 491602117 /nfs/dbraw/zinc/60/21/17/491602117.db2.gz ALTAZZVCOZOIMS-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OCC(=O)N(C)C)c1 ZINC000577204945 491602170 /nfs/dbraw/zinc/60/21/70/491602170.db2.gz SPRTZTGBQAVMPK-CQSZACIVSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OCC(=O)N(C)C)c1 ZINC000577204945 491602173 /nfs/dbraw/zinc/60/21/73/491602173.db2.gz SPRTZTGBQAVMPK-CQSZACIVSA-N 2 2 363.462 0.569 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CC1=O ZINC000561378037 491603730 /nfs/dbraw/zinc/60/37/30/491603730.db2.gz IDUUKQQPVUDNPV-OAHLLOKOSA-N 2 2 359.430 0.243 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CC1=O ZINC000561378037 491603733 /nfs/dbraw/zinc/60/37/33/491603733.db2.gz IDUUKQQPVUDNPV-OAHLLOKOSA-N 2 2 359.430 0.243 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000568736646 491604881 /nfs/dbraw/zinc/60/48/81/491604881.db2.gz JBLCPGAYSXASTM-QGZVFWFLSA-N 2 2 365.522 0.665 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000568736646 491604882 /nfs/dbraw/zinc/60/48/82/491604882.db2.gz JBLCPGAYSXASTM-QGZVFWFLSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561425978 491607346 /nfs/dbraw/zinc/60/73/46/491607346.db2.gz OEZVTTNPUHTHTJ-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000561425978 491607347 /nfs/dbraw/zinc/60/73/47/491607347.db2.gz OEZVTTNPUHTHTJ-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@H+](C)C[C@H]2CC)([NH+]2CCOCC2)C1 ZINC000577265516 491607450 /nfs/dbraw/zinc/60/74/50/491607450.db2.gz VIBDKSLGJZAOHJ-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@@H+](C)C[C@H]2CC)([NH+]2CCOCC2)C1 ZINC000577265516 491607451 /nfs/dbraw/zinc/60/74/51/491607451.db2.gz VIBDKSLGJZAOHJ-LRYGQEGESA-N 2 2 368.522 0.992 20 0 FCADLP CCOC(CNC(=O)[C@@H](C)[NH+]1CC(C)C1)CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000568762704 491608034 /nfs/dbraw/zinc/60/80/34/491608034.db2.gz HDAOGFRCPRVJSU-HZPDHXFCSA-N 2 2 368.522 0.304 20 0 FCADLP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576409183 491612426 /nfs/dbraw/zinc/61/24/26/491612426.db2.gz XPGGBQBZEXLCLX-GJZGRUSLSA-N 2 2 371.441 0.876 20 0 FCADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576409182 491612675 /nfs/dbraw/zinc/61/26/75/491612675.db2.gz XPGGBQBZEXLCLX-CABCVRRESA-N 2 2 371.441 0.876 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000568860831 491614678 /nfs/dbraw/zinc/61/46/78/491614678.db2.gz JTNYQWIFNSEFGW-HNNXBMFYSA-N 2 2 353.511 0.711 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000561539424 491614890 /nfs/dbraw/zinc/61/48/90/491614890.db2.gz OQLYSXNKVZUSTP-QAPCUYQASA-N 2 2 365.478 0.737 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000561539424 491614892 /nfs/dbraw/zinc/61/48/92/491614892.db2.gz OQLYSXNKVZUSTP-QAPCUYQASA-N 2 2 365.478 0.737 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)cc[nH+]1 ZINC000576463643 491616821 /nfs/dbraw/zinc/61/68/21/491616821.db2.gz QSXVLYSRIXDVFP-CQSZACIVSA-N 2 2 356.434 0.091 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 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CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434161 491697800 /nfs/dbraw/zinc/69/78/00/491697800.db2.gz AYJGUMNSAIVTJE-CVEARBPZSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434161 491697801 /nfs/dbraw/zinc/69/78/01/491697801.db2.gz AYJGUMNSAIVTJE-CVEARBPZSA-N 2 2 350.463 0.010 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000579469001 491698424 /nfs/dbraw/zinc/69/84/24/491698424.db2.gz PHGHOSMZJIQVEY-DOTOQJQBSA-N 2 2 359.474 0.545 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000579570892 491700636 /nfs/dbraw/zinc/70/06/36/491700636.db2.gz BESXWASIZFJILE-CABCVRRESA-N 2 2 367.519 0.324 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)C[C@@H](C)O1 ZINC000579700571 491703198 /nfs/dbraw/zinc/70/31/98/491703198.db2.gz DDRBOWJJOGDXKJ-NUJGCVRESA-N 2 2 364.490 0.478 20 0 FCADLP COCCOC1(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000579948224 491710534 /nfs/dbraw/zinc/71/05/34/491710534.db2.gz VTBMHUPBIWFDOV-BBWFWOEESA-N 2 2 360.495 0.258 20 0 FCADLP COCCOC1(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000579948224 491710536 /nfs/dbraw/zinc/71/05/36/491710536.db2.gz VTBMHUPBIWFDOV-BBWFWOEESA-N 2 2 360.495 0.258 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000579952156 491710715 /nfs/dbraw/zinc/71/07/15/491710715.db2.gz RAABXVAYBUYASC-QGZVFWFLSA-N 2 2 370.457 0.969 20 0 FCADLP CSCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000585705653 491722894 /nfs/dbraw/zinc/72/28/94/491722894.db2.gz ZDSZZPACRYTIHK-OAHLLOKOSA-N 2 2 356.536 0.483 20 0 FCADLP CSCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000585705653 491722896 /nfs/dbraw/zinc/72/28/96/491722896.db2.gz ZDSZZPACRYTIHK-OAHLLOKOSA-N 2 2 356.536 0.483 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3cc[nH+]c(N(C)C)n3)CC1)C2 ZINC000580263420 491723739 /nfs/dbraw/zinc/72/37/39/491723739.db2.gz NFWHKJDEFBFWCE-HNNXBMFYSA-N 2 2 369.473 0.959 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)CC1 ZINC000580321685 491725987 /nfs/dbraw/zinc/72/59/87/491725987.db2.gz UPATVLFQZSWWBF-KRWDZBQOSA-N 2 2 359.536 0.987 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)CC1 ZINC000580321685 491725988 /nfs/dbraw/zinc/72/59/88/491725988.db2.gz UPATVLFQZSWWBF-KRWDZBQOSA-N 2 2 359.536 0.987 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000580422681 491730568 /nfs/dbraw/zinc/73/05/68/491730568.db2.gz CAWKQFSCGRYCSR-INIZCTEOSA-N 2 2 373.501 0.822 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000588236800 491742557 /nfs/dbraw/zinc/74/25/57/491742557.db2.gz COYQIUAKRQRCFB-ZDUSSCGKSA-N 2 2 354.520 0.283 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000588236800 491742559 /nfs/dbraw/zinc/74/25/59/491742559.db2.gz COYQIUAKRQRCFB-ZDUSSCGKSA-N 2 2 354.520 0.283 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660581568 493363391 /nfs/dbraw/zinc/36/33/91/493363391.db2.gz GVQJESBOYFAANG-KRWDZBQOSA-N 2 2 354.495 0.507 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660581568 493363394 /nfs/dbraw/zinc/36/33/94/493363394.db2.gz GVQJESBOYFAANG-KRWDZBQOSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580832041 491747744 /nfs/dbraw/zinc/74/77/44/491747744.db2.gz OMCFTAUESLATKK-HUUCEWRRSA-N 2 2 362.478 0.545 20 0 FCADLP O=C(CNC(=O)NCCCCn1cc[nH+]c1)NCC[NH+]1CCCCCC1 ZINC000580989047 491754436 /nfs/dbraw/zinc/75/44/36/491754436.db2.gz QPZCEESPFNTOOA-UHFFFAOYSA-N 2 2 364.494 0.955 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000581034577 491756570 /nfs/dbraw/zinc/75/65/70/491756570.db2.gz HPTFNEBBBPWVHO-OAHLLOKOSA-N 2 2 365.478 0.222 20 0 FCADLP O=C(NCCc1[nH]cc[nH+]1)c1cccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000673757007 493360518 /nfs/dbraw/zinc/36/05/18/493360518.db2.gz ZZGPZOHSYPQPBS-UHFFFAOYSA-N 2 2 353.386 0.473 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000581120841 491759939 /nfs/dbraw/zinc/75/99/39/491759939.db2.gz HAVYSJQKTDBXAB-WBVHZDCISA-N 2 2 365.522 0.618 20 0 FCADLP CC1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000581241148 491765327 /nfs/dbraw/zinc/76/53/27/491765327.db2.gz SYXCEXDHJHTODS-HOTGVXAUSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581248599 491765553 /nfs/dbraw/zinc/76/55/53/491765553.db2.gz JRZAJRDBSYMQFO-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP CC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000590062573 491769133 /nfs/dbraw/zinc/76/91/33/491769133.db2.gz RTEMKTOWRGJZQZ-CQSZACIVSA-N 2 2 357.462 0.886 20 0 FCADLP CC[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000590062573 491769134 /nfs/dbraw/zinc/76/91/34/491769134.db2.gz RTEMKTOWRGJZQZ-CQSZACIVSA-N 2 2 357.462 0.886 20 0 FCADLP COCCOCc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000581360043 491769698 /nfs/dbraw/zinc/76/96/98/491769698.db2.gz UMYHOAOSKONJCO-QGZVFWFLSA-N 2 2 350.463 0.634 20 0 FCADLP COCCOCc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000581360043 491769700 /nfs/dbraw/zinc/76/97/00/491769700.db2.gz UMYHOAOSKONJCO-QGZVFWFLSA-N 2 2 350.463 0.634 20 0 FCADLP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000581383121 491770845 /nfs/dbraw/zinc/77/08/45/491770845.db2.gz TXXVZKDEWFGEGJ-BBWFWOEESA-N 2 2 357.495 0.027 20 0 FCADLP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000581383121 491770846 /nfs/dbraw/zinc/77/08/46/491770846.db2.gz TXXVZKDEWFGEGJ-BBWFWOEESA-N 2 2 357.495 0.027 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000581438269 491772931 /nfs/dbraw/zinc/77/29/31/491772931.db2.gz KUOPFOBMIPCJJA-QGZVFWFLSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000581438269 491772932 /nfs/dbraw/zinc/77/29/32/491772932.db2.gz KUOPFOBMIPCJJA-QGZVFWFLSA-N 2 2 358.486 0.917 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000581512687 491776081 /nfs/dbraw/zinc/77/60/81/491776081.db2.gz MCRXHGKJKULZJU-UHFFFAOYSA-N 2 2 373.413 0.681 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[NH2+]CC1 ZINC000581608426 491779803 /nfs/dbraw/zinc/77/98/03/491779803.db2.gz DTTBJUZBIJPAIV-UHFFFAOYSA-N 2 2 362.455 0.655 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000581751616 491785467 /nfs/dbraw/zinc/78/54/67/491785467.db2.gz IUUYWVSFSWOVKI-FMKPAKJESA-N 2 2 374.489 0.356 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000581751616 491785469 /nfs/dbraw/zinc/78/54/69/491785469.db2.gz IUUYWVSFSWOVKI-FMKPAKJESA-N 2 2 374.489 0.356 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581895760 491789613 /nfs/dbraw/zinc/78/96/13/491789613.db2.gz OUQKIYHXITXGLY-HSMVNMDESA-N 2 2 366.412 0.256 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581895760 491789615 /nfs/dbraw/zinc/78/96/15/491789615.db2.gz OUQKIYHXITXGLY-HSMVNMDESA-N 2 2 366.412 0.256 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000581992183 491793323 /nfs/dbraw/zinc/79/33/23/491793323.db2.gz FPXREOOKSXWWCD-MRXNPFEDSA-N 2 2 359.478 0.135 20 0 FCADLP CN(C)C(=O)NCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000582005880 491794027 /nfs/dbraw/zinc/79/40/27/491794027.db2.gz OUUCJCNCSVOORQ-INIZCTEOSA-N 2 2 358.446 0.189 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(CCOC)CC3)CC2)CC1 ZINC000582130894 491799396 /nfs/dbraw/zinc/79/93/96/491799396.db2.gz QLNBBESJVJETID-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000582175252 491800902 /nfs/dbraw/zinc/80/09/02/491800902.db2.gz BYWOPXREOKIWDV-KRWDZBQOSA-N 2 2 365.522 0.809 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000582175252 491800904 /nfs/dbraw/zinc/80/09/04/491800904.db2.gz BYWOPXREOKIWDV-KRWDZBQOSA-N 2 2 365.522 0.809 20 0 FCADLP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000582183645 491801463 /nfs/dbraw/zinc/80/14/63/491801463.db2.gz VDGSVEWUHMOHDI-INIZCTEOSA-N 2 2 372.469 0.452 20 0 FCADLP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000582183646 491801466 /nfs/dbraw/zinc/80/14/66/491801466.db2.gz VDGSVEWUHMOHDI-MRXNPFEDSA-N 2 2 372.469 0.452 20 0 FCADLP Cn1c2ncn(CC[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291788 491805798 /nfs/dbraw/zinc/80/57/98/491805798.db2.gz VMRYVWYORHWMCH-KBPBESRZSA-N 2 2 360.462 0.040 20 0 FCADLP Cn1c2ncn(CC[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291788 491805799 /nfs/dbraw/zinc/80/57/99/491805799.db2.gz VMRYVWYORHWMCH-KBPBESRZSA-N 2 2 360.462 0.040 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000582298757 491806474 /nfs/dbraw/zinc/80/64/74/491806474.db2.gz BSHUAVDHBXBPCH-GOEBONIOSA-N 2 2 359.405 0.633 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591553411 491807865 /nfs/dbraw/zinc/80/78/65/491807865.db2.gz BPUWPKAMQQQKPS-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591553411 491807866 /nfs/dbraw/zinc/80/78/66/491807866.db2.gz BPUWPKAMQQQKPS-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591553404 491807951 /nfs/dbraw/zinc/80/79/51/491807951.db2.gz BPUWPKAMQQQKPS-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591553404 491807952 /nfs/dbraw/zinc/80/79/52/491807952.db2.gz BPUWPKAMQQQKPS-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP COC1(CO)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000683677312 493364923 /nfs/dbraw/zinc/36/49/23/493364923.db2.gz RYQMKEPMEITHQW-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000582485597 491814529 /nfs/dbraw/zinc/81/45/29/491814529.db2.gz UWFSUHXKIBLCFE-OAHLLOKOSA-N 2 2 367.519 0.886 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662456041 493517463 /nfs/dbraw/zinc/51/74/63/493517463.db2.gz ULEVWVWIDLCTBV-BXUZGUMPSA-N 2 2 355.280 0.811 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000582655791 491821290 /nfs/dbraw/zinc/82/12/90/491821290.db2.gz HNJSNNJQBJZNDX-RYQLBKOJSA-N 3 2 363.481 0.803 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000582655791 491821291 /nfs/dbraw/zinc/82/12/91/491821291.db2.gz HNJSNNJQBJZNDX-RYQLBKOJSA-N 3 2 363.481 0.803 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662456041 493517464 /nfs/dbraw/zinc/51/74/64/493517464.db2.gz ULEVWVWIDLCTBV-BXUZGUMPSA-N 2 2 355.280 0.811 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCOCC1 ZINC000582727872 491824267 /nfs/dbraw/zinc/82/42/67/491824267.db2.gz QWQDAKIFMABMHT-LZLYRXPVSA-N 2 2 368.522 0.355 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC000582866368 491830066 /nfs/dbraw/zinc/83/00/66/491830066.db2.gz WUJCMDGUWZAJMC-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC000582866368 491830067 /nfs/dbraw/zinc/83/00/67/491830067.db2.gz WUJCMDGUWZAJMC-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000582894909 491830995 /nfs/dbraw/zinc/83/09/95/491830995.db2.gz OEFZXLROQWMICY-QZTJIDSGSA-N 2 2 369.469 0.874 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000582894909 491830997 /nfs/dbraw/zinc/83/09/97/491830997.db2.gz OEFZXLROQWMICY-QZTJIDSGSA-N 2 2 369.469 0.874 20 0 FCADLP CCCOCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082637 491831016 /nfs/dbraw/zinc/83/10/16/491831016.db2.gz OGWZUIZMYMAQSH-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CN(C(=O)c1cncs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082650 491831049 /nfs/dbraw/zinc/83/10/49/491831049.db2.gz OQDOJSGBMWRKHF-UHFFFAOYSA-N 2 2 365.503 0.454 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)C1CC1 ZINC000582969556 491834753 /nfs/dbraw/zinc/83/47/53/491834753.db2.gz FBVRFNKMXCEVOY-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)C1CC1 ZINC000582969556 491834754 /nfs/dbraw/zinc/83/47/54/491834754.db2.gz FBVRFNKMXCEVOY-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000583119113 491838337 /nfs/dbraw/zinc/83/83/37/491838337.db2.gz FAUATJXVKMWUID-AWEZNQCLSA-N 2 2 368.441 0.673 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000583119113 491838338 /nfs/dbraw/zinc/83/83/38/491838338.db2.gz FAUATJXVKMWUID-AWEZNQCLSA-N 2 2 368.441 0.673 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000583189964 491839924 /nfs/dbraw/zinc/83/99/24/491839924.db2.gz OIXVWRHHWUCNAI-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)ccc1Cl ZINC000583204252 491840210 /nfs/dbraw/zinc/84/02/10/491840210.db2.gz RQUDMMRCJWYULC-UHFFFAOYSA-N 2 2 374.894 0.950 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)ccc1Cl ZINC000583204252 491840211 /nfs/dbraw/zinc/84/02/11/491840211.db2.gz RQUDMMRCJWYULC-UHFFFAOYSA-N 2 2 374.894 0.950 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000583392539 491844037 /nfs/dbraw/zinc/84/40/37/491844037.db2.gz JHCHPZZSGOFWPF-OWCLPIDISA-N 2 2 368.441 0.463 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583494068 491846024 /nfs/dbraw/zinc/84/60/24/491846024.db2.gz IPCBAGRYDUNVSJ-LAUBAEHRSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583494068 491846025 /nfs/dbraw/zinc/84/60/25/491846025.db2.gz IPCBAGRYDUNVSJ-LAUBAEHRSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@H](C)O1 ZINC000583867172 491853519 /nfs/dbraw/zinc/85/35/19/491853519.db2.gz UTQCWGITXMTIKO-KYHPRHEASA-N 2 2 353.507 0.980 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)C[C@H](C)O1 ZINC000583867172 491853520 /nfs/dbraw/zinc/85/35/20/491853520.db2.gz UTQCWGITXMTIKO-KYHPRHEASA-N 2 2 353.507 0.980 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000584118086 491859075 /nfs/dbraw/zinc/85/90/75/491859075.db2.gz GRVJOCHBSKPLSS-QGZVFWFLSA-N 2 2 371.503 0.362 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000584118086 491859076 /nfs/dbraw/zinc/85/90/76/491859076.db2.gz GRVJOCHBSKPLSS-QGZVFWFLSA-N 2 2 371.503 0.362 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584172844 491859936 /nfs/dbraw/zinc/85/99/36/491859936.db2.gz HVNAACVKJOJBAT-HUUCEWRRSA-N 2 2 362.474 0.581 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000584341258 491863376 /nfs/dbraw/zinc/86/33/76/491863376.db2.gz UCIRJCXEEYEPHJ-YVSFHVDLSA-N 2 2 366.506 0.474 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000611973034 491886723 /nfs/dbraw/zinc/88/67/23/491886723.db2.gz GFLQLIWEUMDAIH-HXUWFJFHSA-N 2 2 358.486 0.587 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNC(=O)CN3CC[NH+](C)CC3)CC2)oc1C ZINC000601041582 491895026 /nfs/dbraw/zinc/89/50/26/491895026.db2.gz AQPOBSYSKHYKQZ-UHFFFAOYSA-N 2 2 363.506 0.867 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000601266645 491901331 /nfs/dbraw/zinc/90/13/31/491901331.db2.gz DLEMUNWCUFNFSZ-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP CCCC[C@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)Cc1c[nH+]cn1C ZINC000612288575 491908575 /nfs/dbraw/zinc/90/85/75/491908575.db2.gz NANODCAZXAILJD-CQSZACIVSA-N 2 2 360.462 0.730 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612445233 491918480 /nfs/dbraw/zinc/91/84/80/491918480.db2.gz WKWJWCBZEJZKPA-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445233 491918482 /nfs/dbraw/zinc/91/84/82/491918482.db2.gz WKWJWCBZEJZKPA-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472257 491925338 /nfs/dbraw/zinc/92/53/38/491925338.db2.gz GDGMNBITSRTPDG-HOTGVXAUSA-N 2 2 372.535 0.037 20 0 FCADLP CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472257 491925340 /nfs/dbraw/zinc/92/53/40/491925340.db2.gz GDGMNBITSRTPDG-HOTGVXAUSA-N 2 2 372.535 0.037 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000602107743 491961423 /nfs/dbraw/zinc/96/14/23/491961423.db2.gz OBXJCIBXGWVIJO-HNNXBMFYSA-N 2 2 355.479 0.441 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc4n(c3=O)CCS4)C2)CC1 ZINC000602200221 491967505 /nfs/dbraw/zinc/96/75/05/491967505.db2.gz HQTXFGAGRFULIU-GFCCVEGCSA-N 2 2 363.487 0.247 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc4n(c3=O)CCS4)C2)CC1 ZINC000602200221 491967506 /nfs/dbraw/zinc/96/75/06/491967506.db2.gz HQTXFGAGRFULIU-GFCCVEGCSA-N 2 2 363.487 0.247 20 0 FCADLP CC(C)CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200264 491967545 /nfs/dbraw/zinc/96/75/45/491967545.db2.gz IXNYZTZKEYYMPC-CVEARBPZSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CN1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200264 491967546 /nfs/dbraw/zinc/96/75/46/491967546.db2.gz IXNYZTZKEYYMPC-CVEARBPZSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203559 491967797 /nfs/dbraw/zinc/96/77/97/491967797.db2.gz XPVOZHLIGWBZQR-GOEBONIOSA-N 2 2 372.535 0.085 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203559 491967798 /nfs/dbraw/zinc/96/77/98/491967798.db2.gz XPVOZHLIGWBZQR-GOEBONIOSA-N 2 2 372.535 0.085 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203562 491967979 /nfs/dbraw/zinc/96/79/79/491967979.db2.gz XPVOZHLIGWBZQR-ZBFHGGJFSA-N 2 2 372.535 0.085 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203562 491967981 /nfs/dbraw/zinc/96/79/81/491967981.db2.gz XPVOZHLIGWBZQR-ZBFHGGJFSA-N 2 2 372.535 0.085 20 0 FCADLP CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202728 491968355 /nfs/dbraw/zinc/96/83/55/491968355.db2.gz QQJFAELLVRCXFF-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202728 491968356 /nfs/dbraw/zinc/96/83/56/491968356.db2.gz QQJFAELLVRCXFF-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3ccc(O)cc3)C2)CC1 ZINC000602330828 491979414 /nfs/dbraw/zinc/97/94/14/491979414.db2.gz ROFSYSBMBADNPX-HNNXBMFYSA-N 2 2 360.458 0.407 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3ccc(O)cc3)C2)CC1 ZINC000602330828 491979416 /nfs/dbraw/zinc/97/94/16/491979416.db2.gz ROFSYSBMBADNPX-HNNXBMFYSA-N 2 2 360.458 0.407 20 0 FCADLP Cc1nnc2n1C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000596311368 491983865 /nfs/dbraw/zinc/98/38/65/491983865.db2.gz GZLYFSYHWQOFTQ-OAHLLOKOSA-N 2 2 351.499 0.332 20 0 FCADLP Cc1nnc2n1C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2 ZINC000596311368 491983867 /nfs/dbraw/zinc/98/38/67/491983867.db2.gz GZLYFSYHWQOFTQ-OAHLLOKOSA-N 2 2 351.499 0.332 20 0 FCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000613555009 491985923 /nfs/dbraw/zinc/98/59/23/491985923.db2.gz AMKCYAPWPXVVGE-ROUUACIJSA-N 2 2 356.470 0.690 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000602504182 491990227 /nfs/dbraw/zinc/99/02/27/491990227.db2.gz LJLNETZFJDRNBG-WMLDXEAASA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000602504183 491990328 /nfs/dbraw/zinc/99/03/28/491990328.db2.gz LJLNETZFJDRNBG-YOEHRIQHSA-N 2 2 363.458 0.661 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000596604823 491992630 /nfs/dbraw/zinc/99/26/30/491992630.db2.gz ZYFLKFPVHCFIMO-QGZVFWFLSA-N 2 2 372.513 0.902 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000596604823 491992633 /nfs/dbraw/zinc/99/26/33/491992633.db2.gz ZYFLKFPVHCFIMO-QGZVFWFLSA-N 2 2 372.513 0.902 20 0 FCADLP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)on1 ZINC000602656156 491994755 /nfs/dbraw/zinc/99/47/55/491994755.db2.gz RXMPYZQNQLDBHG-YHWZYXNKSA-N 2 2 350.419 0.634 20 0 FCADLP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)on1 ZINC000602656156 491994757 /nfs/dbraw/zinc/99/47/57/491994757.db2.gz RXMPYZQNQLDBHG-YHWZYXNKSA-N 2 2 350.419 0.634 20 0 FCADLP COC(=O)c1oc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1C ZINC000597058420 492012202 /nfs/dbraw/zinc/01/22/02/492012202.db2.gz LFKBUAJGGBCNBV-HNNXBMFYSA-N 2 2 351.447 0.871 20 0 FCADLP O=C(NCCn1cc[nH+]c1)c1cccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000614461011 492031086 /nfs/dbraw/zinc/03/10/86/492031086.db2.gz IHQWIWLRCPSCLH-UHFFFAOYSA-N 2 2 353.386 0.335 20 0 FCADLP CNC(=O)C1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604184263 492053165 /nfs/dbraw/zinc/05/31/65/492053165.db2.gz AGYZNWAVZLHXMY-UYSNPLJNSA-N 2 2 365.522 0.759 20 0 FCADLP CNC(=O)C1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604184263 492053168 /nfs/dbraw/zinc/05/31/68/492053168.db2.gz AGYZNWAVZLHXMY-UYSNPLJNSA-N 2 2 365.522 0.759 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191203 492053902 /nfs/dbraw/zinc/05/39/02/492053902.db2.gz NUHKZWYZAMASOX-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191203 492053903 /nfs/dbraw/zinc/05/39/03/492053903.db2.gz NUHKZWYZAMASOX-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191203 492053904 /nfs/dbraw/zinc/05/39/04/492053904.db2.gz NUHKZWYZAMASOX-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191203 492053905 /nfs/dbraw/zinc/05/39/05/492053905.db2.gz NUHKZWYZAMASOX-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191203 492053906 /nfs/dbraw/zinc/05/39/06/492053906.db2.gz NUHKZWYZAMASOX-HOTGVXAUSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191203 492053907 /nfs/dbraw/zinc/05/39/07/492053907.db2.gz NUHKZWYZAMASOX-HOTGVXAUSA-N 2 2 353.511 0.175 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)C1 ZINC000604351605 492058080 /nfs/dbraw/zinc/05/80/80/492058080.db2.gz VRBZLNSHJNQGHN-HNNXBMFYSA-N 2 2 355.446 0.514 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)C1 ZINC000604351605 492058082 /nfs/dbraw/zinc/05/80/82/492058082.db2.gz VRBZLNSHJNQGHN-HNNXBMFYSA-N 2 2 355.446 0.514 20 0 FCADLP c1ccc(C[N@@H+]2CCO[C@H](c3nnn(CCC[NH+]4CCOCC4)n3)C2)cc1 ZINC000604931977 492078134 /nfs/dbraw/zinc/07/81/34/492078134.db2.gz OPDCIEJWWMZRHH-SFHVURJKSA-N 2 2 372.473 0.969 20 0 FCADLP c1ccc(C[N@H+]2CCO[C@H](c3nnn(CCC[NH+]4CCOCC4)n3)C2)cc1 ZINC000604931977 492078136 /nfs/dbraw/zinc/07/81/36/492078136.db2.gz OPDCIEJWWMZRHH-SFHVURJKSA-N 2 2 372.473 0.969 20 0 FCADLP C[NH+]1CCN(c2cccc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)n2)CC1 ZINC000615545220 492093582 /nfs/dbraw/zinc/09/35/82/492093582.db2.gz WJLLBYFVISFLKV-QGZVFWFLSA-N 2 2 373.501 0.770 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000605985839 492110263 /nfs/dbraw/zinc/11/02/63/492110263.db2.gz PHOKQZUXAOPEEQ-MSOLQXFVSA-N 2 2 367.538 0.255 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606537837 492124554 /nfs/dbraw/zinc/12/45/54/492124554.db2.gz KEESDXAUICFOCX-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606537837 492124555 /nfs/dbraw/zinc/12/45/55/492124555.db2.gz KEESDXAUICFOCX-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606537837 492124556 /nfs/dbraw/zinc/12/45/56/492124556.db2.gz KEESDXAUICFOCX-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606537837 492124558 /nfs/dbraw/zinc/12/45/58/492124558.db2.gz KEESDXAUICFOCX-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C[NH+]1CCOCC1 ZINC000606717526 492128394 /nfs/dbraw/zinc/12/83/94/492128394.db2.gz DWJIYYHZYLGHQI-KRWDZBQOSA-N 2 2 361.490 0.877 20 0 FCADLP COC(=O)CC1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000599031165 492131394 /nfs/dbraw/zinc/13/13/94/492131394.db2.gz LXDFKKXQNBWNHX-JCYILVPMSA-N 2 2 367.490 0.631 20 0 FCADLP CNc1cc2c(nn1)CC[NH+](CCC[N@H+]1CCc3nnc(NC)cc3C1)C2 ZINC000607152379 492139566 /nfs/dbraw/zinc/13/95/66/492139566.db2.gz OYMBDSJTJQKADJ-UHFFFAOYSA-N 2 2 368.489 0.000 20 0 FCADLP CNc1cc2c(nn1)CC[NH+](CCC[N@@H+]1CCc3nnc(NC)cc3C1)C2 ZINC000607152379 492139567 /nfs/dbraw/zinc/13/95/67/492139567.db2.gz OYMBDSJTJQKADJ-UHFFFAOYSA-N 2 2 368.489 0.000 20 0 FCADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607391027 492145708 /nfs/dbraw/zinc/14/57/08/492145708.db2.gz VMVJVNOUKHQTIQ-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607391027 492145710 /nfs/dbraw/zinc/14/57/10/492145710.db2.gz VMVJVNOUKHQTIQ-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CN2CC[NH+](C)CC2)CC1 ZINC000599310087 492158585 /nfs/dbraw/zinc/15/85/85/492158585.db2.gz KOISRJQAZNNWDB-UHFFFAOYSA-N 2 2 373.545 0.688 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000617728745 492185581 /nfs/dbraw/zinc/18/55/81/492185581.db2.gz XRMNHKFJMXERBW-GJZGRUSLSA-N 2 2 350.463 0.861 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000617728745 492185582 /nfs/dbraw/zinc/18/55/82/492185582.db2.gz XRMNHKFJMXERBW-GJZGRUSLSA-N 2 2 350.463 0.861 20 0 FCADLP COC(=O)c1cnc(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000599554985 492186413 /nfs/dbraw/zinc/18/64/13/492186413.db2.gz XNWJOVYWRLOVGN-UHFFFAOYSA-N 2 2 366.487 0.883 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000608691710 492187328 /nfs/dbraw/zinc/18/73/28/492187328.db2.gz AXGYUBMVZGKGBW-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000608691710 492187331 /nfs/dbraw/zinc/18/73/31/492187331.db2.gz AXGYUBMVZGKGBW-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC000609716532 492219590 /nfs/dbraw/zinc/21/95/90/492219590.db2.gz RELDRXUAYXGTEP-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC000609716532 492219592 /nfs/dbraw/zinc/21/95/92/492219592.db2.gz RELDRXUAYXGTEP-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000618401242 492227909 /nfs/dbraw/zinc/22/79/09/492227909.db2.gz JOOSQOPJHDWITL-UHFFFAOYSA-N 2 2 365.503 0.447 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000618401242 492227911 /nfs/dbraw/zinc/22/79/11/492227911.db2.gz JOOSQOPJHDWITL-UHFFFAOYSA-N 2 2 365.503 0.447 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250357 492239253 /nfs/dbraw/zinc/23/92/53/492239253.db2.gz WRJNNMJZHBDXBD-AEFFLSMTSA-N 2 2 360.506 0.626 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250357 492239255 /nfs/dbraw/zinc/23/92/55/492239255.db2.gz WRJNNMJZHBDXBD-AEFFLSMTSA-N 2 2 360.506 0.626 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488184 492274154 /nfs/dbraw/zinc/27/41/54/492274154.db2.gz GFDLPLGOSMANGF-NVXWUHKLSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488184 492274155 /nfs/dbraw/zinc/27/41/55/492274155.db2.gz GFDLPLGOSMANGF-NVXWUHKLSA-N 2 2 356.511 0.306 20 0 FCADLP CN(C(=O)NCC1([S@@](C)=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619672300 492275550 /nfs/dbraw/zinc/27/55/50/492275550.db2.gz HTJTUGDFDNMKON-IZHWHUGBSA-N 2 2 356.536 0.707 20 0 FCADLP CN(C(=O)NCC1([S@@](C)=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619672300 492275551 /nfs/dbraw/zinc/27/55/51/492275551.db2.gz HTJTUGDFDNMKON-IZHWHUGBSA-N 2 2 356.536 0.707 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000647510236 492301528 /nfs/dbraw/zinc/30/15/28/492301528.db2.gz AXGJLEIYEYUMQZ-ROUUACIJSA-N 2 2 356.470 0.541 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000647510234 492301649 /nfs/dbraw/zinc/30/16/49/492301649.db2.gz AXGJLEIYEYUMQZ-MSOLQXFVSA-N 2 2 356.470 0.541 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCn3cc(CO)nn3)c2cc1C ZINC000647529657 492302707 /nfs/dbraw/zinc/30/27/07/492302707.db2.gz KOYSRFJGPDVXIQ-INIZCTEOSA-N 2 2 358.446 0.778 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473969 492311325 /nfs/dbraw/zinc/31/13/25/492311325.db2.gz ARIRBWOBARQSQH-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473969 492311328 /nfs/dbraw/zinc/31/13/28/492311328.db2.gz ARIRBWOBARQSQH-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000627473971 492311761 /nfs/dbraw/zinc/31/17/61/492311761.db2.gz ARIRBWOBARQSQH-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000627473971 492311764 /nfs/dbraw/zinc/31/17/64/492311764.db2.gz ARIRBWOBARQSQH-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000654506260 492314233 /nfs/dbraw/zinc/31/42/33/492314233.db2.gz RAZOTHQFZQBGBX-IBGZPJMESA-N 2 2 358.486 0.789 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654506260 492314236 /nfs/dbraw/zinc/31/42/36/492314236.db2.gz RAZOTHQFZQBGBX-IBGZPJMESA-N 2 2 358.486 0.789 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647567983 492315259 /nfs/dbraw/zinc/31/52/59/492315259.db2.gz DVSCXGAEEJDZQP-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647567983 492315266 /nfs/dbraw/zinc/31/52/66/492315266.db2.gz DVSCXGAEEJDZQP-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647567983 492315269 /nfs/dbraw/zinc/31/52/69/492315269.db2.gz DVSCXGAEEJDZQP-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647567983 492315273 /nfs/dbraw/zinc/31/52/73/492315273.db2.gz DVSCXGAEEJDZQP-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@@H](C)S(C)(=O)=O ZINC000634194721 492324991 /nfs/dbraw/zinc/32/49/91/492324991.db2.gz WZJZGFGPKSVVAE-QWHCGFSZSA-N 2 2 354.476 0.841 20 0 FCADLP CC(=O)N1CCC[C@](O)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634193044 492325282 /nfs/dbraw/zinc/32/52/82/492325282.db2.gz CVZCHBMDLVBQBV-GOSISDBHSA-N 2 2 361.446 0.145 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CNC(=O)c3cccc(O)c3)c2)CC1 ZINC000634194684 492325323 /nfs/dbraw/zinc/32/53/23/492325323.db2.gz WHTIWFPXJWKSJL-UHFFFAOYSA-N 2 2 369.425 0.908 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCN3C(=O)CCC3=O)c2)CC1 ZINC000634195582 492326247 /nfs/dbraw/zinc/32/62/47/492326247.db2.gz XKLALARQUGIKOX-UHFFFAOYSA-N 2 2 359.430 0.701 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cn3nc4ccccn4c3=O)c2)CC1 ZINC000634195864 492326665 /nfs/dbraw/zinc/32/66/65/492326665.db2.gz HZFOWZNTCUMCIX-UHFFFAOYSA-N 2 2 367.413 0.282 20 0 FCADLP CC[NH+]1CCN(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000634195536 492326905 /nfs/dbraw/zinc/32/69/05/492326905.db2.gz CISYUPDHFRDBRZ-UHFFFAOYSA-N 3 2 360.506 0.800 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000642105151 492334637 /nfs/dbraw/zinc/33/46/37/492334637.db2.gz JIEKAKSYIFRGNY-CJNGLKHVSA-N 2 2 357.414 0.063 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000642105152 492335165 /nfs/dbraw/zinc/33/51/65/492335165.db2.gz JIEKAKSYIFRGNY-CZUORRHYSA-N 2 2 357.414 0.063 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651140 492340750 /nfs/dbraw/zinc/34/07/50/492340750.db2.gz BAZZJRJZIZPRCN-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651140 492340755 /nfs/dbraw/zinc/34/07/55/492340755.db2.gz BAZZJRJZIZPRCN-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000647674130 492343211 /nfs/dbraw/zinc/34/32/11/492343211.db2.gz FKRCPLJOVVNFEZ-CQSZACIVSA-N 2 2 351.451 0.640 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cn1 ZINC000634509635 492347872 /nfs/dbraw/zinc/34/78/72/492347872.db2.gz UEHVVDOAANEKEA-UHFFFAOYSA-N 2 2 354.458 0.934 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642293960 492348895 /nfs/dbraw/zinc/34/88/95/492348895.db2.gz CENYETXGASQAOG-HOCLYGCPSA-N 2 2 355.442 0.671 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000642337513 492353125 /nfs/dbraw/zinc/35/31/25/492353125.db2.gz VSUOMYKVRLPHOV-ULQDDVLXSA-N 2 2 366.506 0.380 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653564 492358525 /nfs/dbraw/zinc/35/85/25/492358525.db2.gz SIFQQKVPDKXLRY-QLPKVWCKSA-N 2 2 365.499 0.654 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000642519123 492360738 /nfs/dbraw/zinc/36/07/38/492360738.db2.gz FWYWCKYMANNCHO-CVEARBPZSA-N 2 2 359.474 0.884 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000642517712 492360875 /nfs/dbraw/zinc/36/08/75/492360875.db2.gz QKGAOOLODVTEGT-PMPSAXMXSA-N 2 2 354.495 0.045 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642519161 492361019 /nfs/dbraw/zinc/36/10/19/492361019.db2.gz UBQXJCUPMSALPC-IAGOWNOFSA-N 2 2 371.485 0.899 20 0 FCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708245 492361477 /nfs/dbraw/zinc/36/14/77/492361477.db2.gz RQHJDGMLNOPCLV-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708245 492361480 /nfs/dbraw/zinc/36/14/80/492361480.db2.gz RQHJDGMLNOPCLV-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704512 492361705 /nfs/dbraw/zinc/36/17/05/492361705.db2.gz LPOLHABPPHHMOW-ICSRJNTNSA-N 2 2 369.469 0.752 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704512 492361707 /nfs/dbraw/zinc/36/17/07/492361707.db2.gz LPOLHABPPHHMOW-ICSRJNTNSA-N 2 2 369.469 0.752 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723047 492363543 /nfs/dbraw/zinc/36/35/43/492363543.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723047 492363548 /nfs/dbraw/zinc/36/35/48/492363548.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723047 492363552 /nfs/dbraw/zinc/36/35/52/492363552.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723047 492363557 /nfs/dbraw/zinc/36/35/57/492363557.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723047 492363561 /nfs/dbraw/zinc/36/35/61/492363561.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 2 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723047 492363567 /nfs/dbraw/zinc/36/35/67/492363567.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 2 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723047 492363571 /nfs/dbraw/zinc/36/35/71/492363571.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 2 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723047 492363576 /nfs/dbraw/zinc/36/35/76/492363576.db2.gz ZHZLXXZXJCLIHT-AZUAARDMSA-N 2 2 360.502 0.553 20 0 FCADLP C[N@@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000621260907 492365850 /nfs/dbraw/zinc/36/58/50/492365850.db2.gz WIFZWFITYFHVCM-HNNXBMFYSA-N 2 2 367.457 0.784 20 0 FCADLP C[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000621260907 492365853 /nfs/dbraw/zinc/36/58/53/492365853.db2.gz WIFZWFITYFHVCM-HNNXBMFYSA-N 2 2 367.457 0.784 20 0 FCADLP C[NH+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621260907 492365855 /nfs/dbraw/zinc/36/58/55/492365855.db2.gz WIFZWFITYFHVCM-HNNXBMFYSA-N 2 2 367.457 0.784 20 0 FCADLP C[NH+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000621260907 492365858 /nfs/dbraw/zinc/36/58/58/492365858.db2.gz WIFZWFITYFHVCM-HNNXBMFYSA-N 2 2 367.457 0.784 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1)N1CC[NH2+]CC1 ZINC000647824827 492367541 /nfs/dbraw/zinc/36/75/41/492367541.db2.gz KZENLNJDWDPWNQ-CQSZACIVSA-N 2 2 355.442 0.979 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1)N1CC[NH2+]CC1 ZINC000647824827 492367546 /nfs/dbraw/zinc/36/75/46/492367546.db2.gz KZENLNJDWDPWNQ-CQSZACIVSA-N 2 2 355.442 0.979 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@@H]1[NH3+] ZINC000642638952 492368125 /nfs/dbraw/zinc/36/81/25/492368125.db2.gz XYOSZNIFLANZES-ZBFHGGJFSA-N 2 2 357.458 0.887 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000642638975 492368160 /nfs/dbraw/zinc/36/81/60/492368160.db2.gz ZYZQZLDQSLTLGU-MRXNPFEDSA-N 2 2 357.458 0.902 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC000634780399 492368222 /nfs/dbraw/zinc/36/82/22/492368222.db2.gz FLQDTFIKDTUQGO-HDICACEKSA-N 2 2 359.470 0.918 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC000634780399 492368224 /nfs/dbraw/zinc/36/82/24/492368224.db2.gz FLQDTFIKDTUQGO-HDICACEKSA-N 2 2 359.470 0.918 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC000642638947 492368306 /nfs/dbraw/zinc/36/83/06/492368306.db2.gz XXXGDTNEXRXYNK-IBGZPJMESA-N 2 2 355.442 0.513 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)[nH+]c12 ZINC000642638826 492368423 /nfs/dbraw/zinc/36/84/23/492368423.db2.gz HPKKBKFVQVULHB-UKRRQHHQSA-N 2 2 357.458 0.745 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(c3cc(N4CCSCC4)[nH+]cn3)C2)nn1 ZINC000634810579 492369948 /nfs/dbraw/zinc/36/99/48/492369948.db2.gz BGYBFVUDSBOZCJ-AWEZNQCLSA-N 2 2 360.491 0.922 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(c3cc(N4CCSCC4)nc[nH+]3)C2)nn1 ZINC000634810579 492369954 /nfs/dbraw/zinc/36/99/54/492369954.db2.gz BGYBFVUDSBOZCJ-AWEZNQCLSA-N 2 2 360.491 0.922 20 0 FCADLP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000647849343 492371239 /nfs/dbraw/zinc/37/12/39/492371239.db2.gz PTVFUCWSOGEDLS-LBPRGKRZSA-N 2 2 372.491 0.553 20 0 FCADLP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000647849343 492371242 /nfs/dbraw/zinc/37/12/42/492371242.db2.gz PTVFUCWSOGEDLS-LBPRGKRZSA-N 2 2 372.491 0.553 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c[nH+]1 ZINC000642687137 492373442 /nfs/dbraw/zinc/37/34/42/492373442.db2.gz PDAYKKLJPYHVGO-ZFWWWQNUSA-N 2 2 363.462 0.119 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642708539 492376536 /nfs/dbraw/zinc/37/65/36/492376536.db2.gz YKDRLUYQSIFKBD-QZTJIDSGSA-N 2 2 367.453 0.758 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728673 492381612 /nfs/dbraw/zinc/38/16/12/492381612.db2.gz SYYJQECZZJAEMZ-CQDKDKBSSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728673 492381614 /nfs/dbraw/zinc/38/16/14/492381614.db2.gz SYYJQECZZJAEMZ-CQDKDKBSSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000642754774 492386843 /nfs/dbraw/zinc/38/68/43/492386843.db2.gz OBBZGIOSKLQZDO-DLBZAZTESA-N 2 2 373.501 0.134 20 0 FCADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cn1C ZINC000647989949 492391704 /nfs/dbraw/zinc/39/17/04/492391704.db2.gz IJBXQXLINPPQDU-UHFFFAOYSA-N 2 2 369.535 0.815 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@H]21 ZINC000642797561 492395117 /nfs/dbraw/zinc/39/51/17/492395117.db2.gz JJGVQMXHVXERML-QKPAOTATSA-N 2 2 357.458 0.362 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000642898813 492398417 /nfs/dbraw/zinc/39/84/17/492398417.db2.gz PQPKIZOWWXXEPU-KRWDZBQOSA-N 2 2 374.485 0.501 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905678 492401021 /nfs/dbraw/zinc/40/10/21/492401021.db2.gz RMXXMPXZGWZILM-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905678 492401027 /nfs/dbraw/zinc/40/10/27/492401027.db2.gz RMXXMPXZGWZILM-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CCCNC1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000648118689 492402157 /nfs/dbraw/zinc/40/21/57/492402157.db2.gz QTOBYXSELRRTSQ-HNNXBMFYSA-N 2 2 374.489 0.789 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919743 492404118 /nfs/dbraw/zinc/40/41/18/492404118.db2.gz FJWOJSWLCKWHME-UHFFFAOYSA-N 2 2 374.485 0.516 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CCCC[NH2+]1 ZINC000648153669 492409806 /nfs/dbraw/zinc/40/98/06/492409806.db2.gz WCCYZCMATPWVNI-CVEARBPZSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000648153669 492409809 /nfs/dbraw/zinc/40/98/09/492409809.db2.gz WCCYZCMATPWVNI-CVEARBPZSA-N 2 2 374.489 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621778739 492411033 /nfs/dbraw/zinc/41/10/33/492411033.db2.gz UOMRNATWRVEVJU-ZRGWGRIASA-N 2 2 360.458 0.766 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621778739 492411035 /nfs/dbraw/zinc/41/10/35/492411035.db2.gz UOMRNATWRVEVJU-ZRGWGRIASA-N 2 2 360.458 0.766 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)Nc3cnn(C)c3)CC2)CC1 ZINC000635197669 492413728 /nfs/dbraw/zinc/41/37/28/492413728.db2.gz QLVVQODCWZQGFT-UHFFFAOYSA-N 2 2 362.478 0.377 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)Nc3cnn(C)c3)CC2)CC1 ZINC000635197669 492413733 /nfs/dbraw/zinc/41/37/33/492413733.db2.gz QLVVQODCWZQGFT-UHFFFAOYSA-N 2 2 362.478 0.377 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)nc2)CC1 ZINC000643033420 492415015 /nfs/dbraw/zinc/41/50/15/492415015.db2.gz NGAPONDYXIDVTB-HOCLYGCPSA-N 2 2 365.503 0.206 20 0 FCADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000643082328 492418262 /nfs/dbraw/zinc/41/82/62/492418262.db2.gz SXPVBIKLXZWNQW-HZPDHXFCSA-N 2 2 363.458 0.725 20 0 FCADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000643082328 492418267 /nfs/dbraw/zinc/41/82/67/492418267.db2.gz SXPVBIKLXZWNQW-HZPDHXFCSA-N 2 2 363.458 0.725 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621839812 492422144 /nfs/dbraw/zinc/42/21/44/492422144.db2.gz ZCSIWLAWLBFWAH-RZQQEMMASA-N 2 2 367.453 0.966 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)NC2CC([NH+]3CCOCC3)C2)c2ccccc2)CC1 ZINC000627931209 492422976 /nfs/dbraw/zinc/42/29/76/492422976.db2.gz JLHUERDNSYFWRX-SOAGJPPSSA-N 2 2 372.513 0.955 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000635262839 492424386 /nfs/dbraw/zinc/42/43/86/492424386.db2.gz CSWSCCBKTTUUEQ-GOSISDBHSA-N 2 2 374.485 0.502 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000635262839 492424389 /nfs/dbraw/zinc/42/43/89/492424389.db2.gz CSWSCCBKTTUUEQ-GOSISDBHSA-N 2 2 374.485 0.502 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000622025641 492441836 /nfs/dbraw/zinc/44/18/36/492441836.db2.gz VIEDOVPJRHWRFN-KBXCAEBGSA-N 2 2 362.499 0.732 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000643389442 492445165 /nfs/dbraw/zinc/44/51/65/492445165.db2.gz VIXGLJBOGONPHR-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000643389442 492445168 /nfs/dbraw/zinc/44/51/68/492445168.db2.gz VIXGLJBOGONPHR-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP COC1([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397888 492448559 /nfs/dbraw/zinc/44/85/59/492448559.db2.gz XXAMHYIOXVHUIB-HUUCEWRRSA-N 2 2 366.506 0.345 20 0 FCADLP COC1([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397888 492448562 /nfs/dbraw/zinc/44/85/62/492448562.db2.gz XXAMHYIOXVHUIB-HUUCEWRRSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552160 492454762 /nfs/dbraw/zinc/45/47/62/492454762.db2.gz PMAPUFKYHJBGQE-NXHRZFHOSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552160 492454766 /nfs/dbraw/zinc/45/47/66/492454766.db2.gz PMAPUFKYHJBGQE-NXHRZFHOSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552160 492454770 /nfs/dbraw/zinc/45/47/70/492454770.db2.gz PMAPUFKYHJBGQE-NXHRZFHOSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552160 492454772 /nfs/dbraw/zinc/45/47/72/492454772.db2.gz PMAPUFKYHJBGQE-NXHRZFHOSA-N 3 2 365.522 0.317 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421768 492455022 /nfs/dbraw/zinc/45/50/22/492455022.db2.gz IJFCYFMQORWTSG-IJEWVQPXSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000643421768 492455025 /nfs/dbraw/zinc/45/50/25/492455025.db2.gz IJFCYFMQORWTSG-IJEWVQPXSA-N 2 2 368.547 0.624 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000635551293 492468922 /nfs/dbraw/zinc/46/89/22/492468922.db2.gz KYLHGMGRNNGVOZ-MRXNPFEDSA-N 3 2 352.523 0.630 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000635551293 492468927 /nfs/dbraw/zinc/46/89/27/492468927.db2.gz KYLHGMGRNNGVOZ-MRXNPFEDSA-N 3 2 352.523 0.630 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655714654 492478677 /nfs/dbraw/zinc/47/86/77/492478677.db2.gz BRDNSZDDGWMRFR-RTBURBONSA-N 3 2 352.523 0.236 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000643516581 492487640 /nfs/dbraw/zinc/48/76/40/492487640.db2.gz VOHJMNGBPDUTIS-NJAFHUGGSA-N 2 2 371.485 0.355 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000643541419 492494228 /nfs/dbraw/zinc/49/42/28/492494228.db2.gz IWCNCOWXAWVLQR-HOTGVXAUSA-N 2 2 357.458 0.107 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000643563118 492498977 /nfs/dbraw/zinc/49/89/77/492498977.db2.gz IYCMGJKVRXPAIR-BQFCYCMXSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000643563118 492498982 /nfs/dbraw/zinc/49/89/82/492498982.db2.gz IYCMGJKVRXPAIR-BQFCYCMXSA-N 2 2 374.485 0.294 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000643581068 492499536 /nfs/dbraw/zinc/49/95/36/492499536.db2.gz GJJGNGCDBSSPJL-UHFFFAOYSA-N 2 2 374.485 0.470 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643592227 492502964 /nfs/dbraw/zinc/50/29/64/492502964.db2.gz KBIGQDZMHLQJGG-GOSISDBHSA-N 2 2 374.485 0.297 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CCO2 ZINC000649130476 492503294 /nfs/dbraw/zinc/50/32/94/492503294.db2.gz IFDGRRPPTZCYRL-QGZVFWFLSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)CCO2 ZINC000649130476 492503297 /nfs/dbraw/zinc/50/32/97/492503297.db2.gz IFDGRRPPTZCYRL-QGZVFWFLSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CCO2 ZINC000649130475 492503682 /nfs/dbraw/zinc/50/36/82/492503682.db2.gz IFDGRRPPTZCYRL-KRWDZBQOSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CCO2 ZINC000649130475 492503685 /nfs/dbraw/zinc/50/36/85/492503685.db2.gz IFDGRRPPTZCYRL-KRWDZBQOSA-N 2 2 351.491 0.953 20 0 FCADLP CC[NH+](CC(=O)N(C)C)Cc1cncc(C[N@H+](CC)CC(=O)N(C)C)c1 ZINC000649245577 492514899 /nfs/dbraw/zinc/51/48/99/492514899.db2.gz SNMANWHQWOIFLM-UHFFFAOYSA-N 2 2 363.506 0.902 20 0 FCADLP CC[NH+](CC(=O)N(C)C)Cc1cncc(C[N@@H+](CC)CC(=O)N(C)C)c1 ZINC000649245577 492514904 /nfs/dbraw/zinc/51/49/04/492514904.db2.gz SNMANWHQWOIFLM-UHFFFAOYSA-N 2 2 363.506 0.902 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649277518 492517593 /nfs/dbraw/zinc/51/75/93/492517593.db2.gz BVIQDHQCUKMTPB-IAGOWNOFSA-N 2 2 370.457 0.443 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649277518 492517599 /nfs/dbraw/zinc/51/75/99/492517599.db2.gz BVIQDHQCUKMTPB-IAGOWNOFSA-N 2 2 370.457 0.443 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1)Nc1ccccc1 ZINC000649284059 492521021 /nfs/dbraw/zinc/52/10/21/492521021.db2.gz HDAKLUZZFREWCJ-HNNXBMFYSA-N 2 2 360.458 0.442 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)c[nH+]2)CCO1 ZINC000649289239 492523665 /nfs/dbraw/zinc/52/36/65/492523665.db2.gz CXMOBGGZCKZDOO-HIFRSBDPSA-N 2 2 371.445 0.363 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)c1ccc(C[NH3+])o1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301071 492526849 /nfs/dbraw/zinc/52/68/49/492526849.db2.gz DRRVDJMJBWWPKV-BBRMVZONSA-N 2 2 366.462 0.331 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CC1([NH3+])CCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301144 492527387 /nfs/dbraw/zinc/52/73/87/492527387.db2.gz HWRGHBBOCDKZDS-GOEBONIOSA-N 2 2 354.495 0.237 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)CC1([NH3+])CCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301146 492527800 /nfs/dbraw/zinc/52/78/00/492527800.db2.gz HWRGHBBOCDKZDS-ZBFHGGJFSA-N 2 2 354.495 0.237 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000656075650 492536340 /nfs/dbraw/zinc/53/63/40/492536340.db2.gz QPDFIAUNIPJBCG-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075650 492536345 /nfs/dbraw/zinc/53/63/45/492536345.db2.gz QPDFIAUNIPJBCG-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075650 492536346 /nfs/dbraw/zinc/53/63/46/492536346.db2.gz QPDFIAUNIPJBCG-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075650 492536351 /nfs/dbraw/zinc/53/63/51/492536351.db2.gz QPDFIAUNIPJBCG-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)cc21 ZINC000635985776 492536673 /nfs/dbraw/zinc/53/66/73/492536673.db2.gz KAURMNFAJBBLDD-ZDUSSCGKSA-N 2 2 354.414 0.855 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000656075651 492536750 /nfs/dbraw/zinc/53/67/50/492536750.db2.gz QPDFIAUNIPJBCG-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075651 492536754 /nfs/dbraw/zinc/53/67/54/492536754.db2.gz QPDFIAUNIPJBCG-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075651 492536759 /nfs/dbraw/zinc/53/67/59/492536759.db2.gz QPDFIAUNIPJBCG-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075651 492536761 /nfs/dbraw/zinc/53/67/61/492536761.db2.gz QPDFIAUNIPJBCG-NXOAAHMSSA-N 2 2 368.522 0.399 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000656087680 492548985 /nfs/dbraw/zinc/54/89/85/492548985.db2.gz XDQPRBAOYGOHGW-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000656087680 492548987 /nfs/dbraw/zinc/54/89/87/492548987.db2.gz XDQPRBAOYGOHGW-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP CCN1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185474 492563038 /nfs/dbraw/zinc/56/30/38/492563038.db2.gz HTKHSBXGXJAKIY-HOCLYGCPSA-N 2 2 351.495 0.417 20 0 FCADLP CCN1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185474 492563041 /nfs/dbraw/zinc/56/30/41/492563041.db2.gz HTKHSBXGXJAKIY-HOCLYGCPSA-N 2 2 351.495 0.417 20 0 FCADLP CCN1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185471 492563099 /nfs/dbraw/zinc/56/30/99/492563099.db2.gz HTKHSBXGXJAKIY-GDBMZVCRSA-N 2 2 351.495 0.417 20 0 FCADLP CCN1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185471 492563100 /nfs/dbraw/zinc/56/31/00/492563100.db2.gz HTKHSBXGXJAKIY-GDBMZVCRSA-N 2 2 351.495 0.417 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636252702 492570480 /nfs/dbraw/zinc/57/04/80/492570480.db2.gz DHXWRQLLGKRMTR-QFBILLFUSA-N 2 2 351.491 0.735 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636252702 492570483 /nfs/dbraw/zinc/57/04/83/492570483.db2.gz DHXWRQLLGKRMTR-QFBILLFUSA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636252702 492570487 /nfs/dbraw/zinc/57/04/87/492570487.db2.gz DHXWRQLLGKRMTR-QFBILLFUSA-N 2 2 351.491 0.735 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636252702 492570489 /nfs/dbraw/zinc/57/04/89/492570489.db2.gz DHXWRQLLGKRMTR-QFBILLFUSA-N 2 2 351.491 0.735 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000656312648 492586915 /nfs/dbraw/zinc/58/69/15/492586915.db2.gz WZPRBKKVPHBDBW-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636456544 492590900 /nfs/dbraw/zinc/59/09/00/492590900.db2.gz CYSBJOPAKLOXLJ-INIZCTEOSA-N 2 2 371.441 0.385 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636456544 492590901 /nfs/dbraw/zinc/59/09/01/492590901.db2.gz CYSBJOPAKLOXLJ-INIZCTEOSA-N 2 2 371.441 0.385 20 0 FCADLP Nc1nc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000623872599 492602518 /nfs/dbraw/zinc/60/25/18/492602518.db2.gz JCOPWBPQIZKCJR-UHFFFAOYSA-N 2 2 356.478 0.129 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360616 492613538 /nfs/dbraw/zinc/61/35/38/492613538.db2.gz UJJCIZFVQRJOLU-DLBZAZTESA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000656360616 492613541 /nfs/dbraw/zinc/61/35/41/492613541.db2.gz UJJCIZFVQRJOLU-DLBZAZTESA-N 2 2 371.485 0.863 20 0 FCADLP C[C@@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000636551681 492620377 /nfs/dbraw/zinc/62/03/77/492620377.db2.gz CGQGDRMZQXVSNU-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578572 492627233 /nfs/dbraw/zinc/62/72/33/492627233.db2.gz LREJAXFRUYBDII-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000636578572 492627237 /nfs/dbraw/zinc/62/72/37/492627237.db2.gz LREJAXFRUYBDII-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636578572 492627243 /nfs/dbraw/zinc/62/72/43/492627243.db2.gz LREJAXFRUYBDII-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636578572 492627248 /nfs/dbraw/zinc/62/72/48/492627248.db2.gz LREJAXFRUYBDII-TXPKVOOTSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357202 492640836 /nfs/dbraw/zinc/64/08/36/492640836.db2.gz JRGJPHTUKPNOEP-SFHVURJKSA-N 2 2 361.490 0.923 20 0 FCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357202 492640841 /nfs/dbraw/zinc/64/08/41/492640841.db2.gz JRGJPHTUKPNOEP-SFHVURJKSA-N 2 2 361.490 0.923 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000656694502 492642526 /nfs/dbraw/zinc/64/25/26/492642526.db2.gz QJIHDXBPTKXQRP-SFHVURJKSA-N 2 2 354.539 0.708 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000656694502 492642529 /nfs/dbraw/zinc/64/25/29/492642529.db2.gz QJIHDXBPTKXQRP-SFHVURJKSA-N 2 2 354.539 0.708 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700769 492643612 /nfs/dbraw/zinc/64/36/12/492643612.db2.gz ZQCYCOSOMWCEJV-ZWKOTPCHSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700769 492643614 /nfs/dbraw/zinc/64/36/14/492643614.db2.gz ZQCYCOSOMWCEJV-ZWKOTPCHSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656700769 492643617 /nfs/dbraw/zinc/64/36/17/492643617.db2.gz ZQCYCOSOMWCEJV-ZWKOTPCHSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656700769 492643618 /nfs/dbraw/zinc/64/36/18/492643618.db2.gz ZQCYCOSOMWCEJV-ZWKOTPCHSA-N 2 2 374.489 0.948 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629557748 492644329 /nfs/dbraw/zinc/64/43/29/492644329.db2.gz VPBMHBJJAXTAJA-MRXNPFEDSA-N 2 2 371.503 0.158 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563482 492645678 /nfs/dbraw/zinc/64/56/78/492645678.db2.gz QXXYBSWZBNPQHO-BFHYXJOUSA-N 3 2 350.429 0.998 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563482 492645681 /nfs/dbraw/zinc/64/56/81/492645681.db2.gz QXXYBSWZBNPQHO-BFHYXJOUSA-N 3 2 350.429 0.998 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000636641498 492645927 /nfs/dbraw/zinc/64/59/27/492645927.db2.gz NXEBMYHUNUCMCM-UHFFFAOYSA-N 2 2 362.474 0.879 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000636666716 492654014 /nfs/dbraw/zinc/65/40/14/492654014.db2.gz DDFYXIRMTPBDDN-MRXNPFEDSA-N 2 2 355.442 0.735 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000636666716 492654016 /nfs/dbraw/zinc/65/40/16/492654016.db2.gz DDFYXIRMTPBDDN-MRXNPFEDSA-N 2 2 355.442 0.735 20 0 FCADLP CCCCn1c2nc(C[N@H+](C)CCOCC[NH3+])n(C)c2c(=O)[nH]c1=O ZINC000629577237 492654793 /nfs/dbraw/zinc/65/47/93/492654793.db2.gz FVYLEJDMLXHWTC-UHFFFAOYSA-N 2 2 352.439 0.043 20 0 FCADLP CCCCn1c2nc(C[N@@H+](C)CCOCC[NH3+])n(C)c2c(=O)[nH]c1=O ZINC000629577237 492654797 /nfs/dbraw/zinc/65/47/97/492654797.db2.gz FVYLEJDMLXHWTC-UHFFFAOYSA-N 2 2 352.439 0.043 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644195563 492666233 /nfs/dbraw/zinc/66/62/33/492666233.db2.gz DAFYYNOVVWCBDQ-MRXNPFEDSA-N 3 2 373.501 0.677 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644195563 492666235 /nfs/dbraw/zinc/66/62/35/492666235.db2.gz DAFYYNOVVWCBDQ-MRXNPFEDSA-N 3 2 373.501 0.677 20 0 FCADLP CC[C@@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707612 492668120 /nfs/dbraw/zinc/66/81/20/492668120.db2.gz PNXIGJLEXCFXGZ-DNVCBOLYSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@]1(O)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707612 492668124 /nfs/dbraw/zinc/66/81/24/492668124.db2.gz PNXIGJLEXCFXGZ-DNVCBOLYSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1C[C@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000650798426 492669178 /nfs/dbraw/zinc/66/91/78/492669178.db2.gz YDDAGYSFESCFDT-HNNXBMFYSA-N 2 2 365.522 0.713 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N(CC)CC[NH3+])CC2)cc1 ZINC000629786464 492671868 /nfs/dbraw/zinc/67/18/68/492671868.db2.gz CGKSIMYAQAHPNJ-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP CCN1C[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877502 492679662 /nfs/dbraw/zinc/67/96/62/492679662.db2.gz XFXWSWISNUJBQY-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP CCN1C[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877502 492679665 /nfs/dbraw/zinc/67/96/65/492679665.db2.gz XFXWSWISNUJBQY-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@]3(O)CCCOC3)C2)CC1 ZINC000650876727 492680070 /nfs/dbraw/zinc/68/00/70/492680070.db2.gz FBFVGIOCLUSREK-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@]3(O)CCCOC3)C2)CC1 ZINC000650876727 492680071 /nfs/dbraw/zinc/68/00/71/492680071.db2.gz FBFVGIOCLUSREK-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000636780853 492691632 /nfs/dbraw/zinc/69/16/32/492691632.db2.gz GRWUIVNBVCLMPS-UHFFFAOYSA-N 2 2 356.430 0.796 20 0 FCADLP CCC[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636851105 492709758 /nfs/dbraw/zinc/70/97/58/492709758.db2.gz ZNYDUHKXJNFTPN-IBGZPJMESA-N 2 2 368.522 0.776 20 0 FCADLP CCC[NH+]1CCC(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636851105 492709761 /nfs/dbraw/zinc/70/97/61/492709761.db2.gz ZNYDUHKXJNFTPN-IBGZPJMESA-N 2 2 368.522 0.776 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)CC[NH+]2CCCC2)[C@H]1c1[nH+]ccn1C ZINC000625240788 492743326 /nfs/dbraw/zinc/74/33/26/492743326.db2.gz AABOBNLIIYLEKO-HOTGVXAUSA-N 2 2 363.462 0.263 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651437596 492757700 /nfs/dbraw/zinc/75/77/00/492757700.db2.gz GTGPWRUWLJGKTF-GOSISDBHSA-N 2 2 356.511 0.585 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@]1(O)CCCOC1 ZINC000651437596 492757703 /nfs/dbraw/zinc/75/77/03/492757703.db2.gz GTGPWRUWLJGKTF-GOSISDBHSA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@@H+]1C ZINC000630632215 492758042 /nfs/dbraw/zinc/75/80/42/492758042.db2.gz BHFNEZXVZJNMBU-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[N@H+]1C ZINC000630632215 492758044 /nfs/dbraw/zinc/75/80/44/492758044.db2.gz BHFNEZXVZJNMBU-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1cccs1 ZINC000644569128 492785583 /nfs/dbraw/zinc/78/55/83/492785583.db2.gz JXLRCGGKVXVTBY-SJORKVTESA-N 2 2 369.531 0.622 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1ccccc1 ZINC000644569124 492785912 /nfs/dbraw/zinc/78/59/12/492785912.db2.gz JMYACYRAEDJHPC-WOJBJXKFSA-N 2 2 363.502 0.560 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657741190 492786336 /nfs/dbraw/zinc/78/63/36/492786336.db2.gz FIIQNUVYISWAKP-INIZCTEOSA-N 2 2 363.462 0.055 20 0 FCADLP Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579339 492787903 /nfs/dbraw/zinc/78/79/03/492787903.db2.gz XBIUZQXWVWIISH-ROUUACIJSA-N 2 2 371.485 0.916 20 0 FCADLP Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579339 492787909 /nfs/dbraw/zinc/78/79/09/492787909.db2.gz XBIUZQXWVWIISH-ROUUACIJSA-N 2 2 371.485 0.916 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1S(N)(=O)=O ZINC000644633870 492793941 /nfs/dbraw/zinc/79/39/41/492793941.db2.gz UOYYZNZIELDTOK-IJEWVQPXSA-N 2 2 371.503 0.202 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1S(N)(=O)=O ZINC000644633870 492793943 /nfs/dbraw/zinc/79/39/43/492793943.db2.gz UOYYZNZIELDTOK-IJEWVQPXSA-N 2 2 371.503 0.202 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCN(c3ccnn3C)C2)C[C@@H](C)O1 ZINC000644633631 492794376 /nfs/dbraw/zinc/79/43/76/492794376.db2.gz OFQZIABVKQLFIC-WCXIOVBPSA-N 2 2 351.495 0.449 20 0 FCADLP O[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000631049691 492795374 /nfs/dbraw/zinc/79/53/74/492795374.db2.gz KLGLWUSOXHUPHQ-LJQANCHMSA-N 3 2 363.502 0.944 20 0 FCADLP O=C(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)NCC(F)F ZINC000631128257 492799644 /nfs/dbraw/zinc/79/96/44/492799644.db2.gz ZVNSTPLXYGVCKE-UHFFFAOYSA-N 2 2 357.401 0.869 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870914 492806748 /nfs/dbraw/zinc/80/67/48/492806748.db2.gz RWOPYDTXVKBRGJ-UHFFFAOYSA-N 2 2 356.430 0.475 20 0 FCADLP CN1C(=O)COc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc21 ZINC000625523064 492810172 /nfs/dbraw/zinc/81/01/72/492810172.db2.gz WTJNYIZDJFKIKJ-HNNXBMFYSA-N 2 2 372.469 0.940 20 0 FCADLP CN1C(=O)COc2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc21 ZINC000625523064 492810177 /nfs/dbraw/zinc/81/01/77/492810177.db2.gz WTJNYIZDJFKIKJ-HNNXBMFYSA-N 2 2 372.469 0.940 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000637373167 492813228 /nfs/dbraw/zinc/81/32/28/492813228.db2.gz NTGZRZFNRMTGRY-SFHVURJKSA-N 2 2 373.501 0.854 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000637373167 492813229 /nfs/dbraw/zinc/81/32/29/492813229.db2.gz NTGZRZFNRMTGRY-SFHVURJKSA-N 2 2 373.501 0.854 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000658146530 492844469 /nfs/dbraw/zinc/84/44/69/492844469.db2.gz PLPAOKKKCHKMBM-HNNXBMFYSA-N 2 2 359.474 0.823 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828457 492858632 /nfs/dbraw/zinc/85/86/32/492858632.db2.gz PJOUUXUAXIOHCR-CABCVRRESA-N 2 2 358.446 0.240 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828457 492858635 /nfs/dbraw/zinc/85/86/35/492858635.db2.gz PJOUUXUAXIOHCR-CABCVRRESA-N 2 2 358.446 0.240 20 0 FCADLP COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC([NH2+]CCO)CC2)cc1OC ZINC000631864164 492865530 /nfs/dbraw/zinc/86/55/30/492865530.db2.gz LNMOWHXLPDAEQJ-CQSZACIVSA-N 2 2 365.474 0.755 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631864852 492865812 /nfs/dbraw/zinc/86/58/12/492865812.db2.gz UAAVDDPVHSFWAF-UHFFFAOYSA-N 2 2 371.503 0.362 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)NCC(C)(C)[NH+]1CCOCC1)CCO2 ZINC000645115532 492868933 /nfs/dbraw/zinc/86/89/33/492868933.db2.gz RASFATBYZXQQAB-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC([C@@H](C)[NH3+])CC2)[C@H]1c1[nH+]ccn1C ZINC000637828387 492870577 /nfs/dbraw/zinc/87/05/77/492870577.db2.gz DRYLAQPBTKJMJL-KCXAZCMYSA-N 2 2 363.462 0.294 20 0 FCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637816400 492870617 /nfs/dbraw/zinc/87/06/17/492870617.db2.gz ZYXCDRYRXVWMLH-UHFFFAOYSA-N 2 2 361.895 0.876 20 0 FCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637816400 492870621 /nfs/dbraw/zinc/87/06/21/492870621.db2.gz ZYXCDRYRXVWMLH-UHFFFAOYSA-N 2 2 361.895 0.876 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000637868392 492872195 /nfs/dbraw/zinc/87/21/95/492872195.db2.gz BMVNHENKTZCQBL-UHFFFAOYSA-N 2 2 352.504 0.547 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](C[NH3+])C1 ZINC000637864313 492872266 /nfs/dbraw/zinc/87/22/66/492872266.db2.gz PMVJKQORYURIQK-DGCLKSJQSA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](C[NH3+])C1 ZINC000637864313 492872269 /nfs/dbraw/zinc/87/22/69/492872269.db2.gz PMVJKQORYURIQK-DGCLKSJQSA-N 2 2 352.385 0.419 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000645209792 492878428 /nfs/dbraw/zinc/87/84/28/492878428.db2.gz NQTOAMPFTCVGHA-HNNXBMFYSA-N 2 2 350.488 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631915916 492882082 /nfs/dbraw/zinc/88/20/82/492882082.db2.gz QDBVVMBQZWEBKN-HLLBOEOZSA-N 2 2 374.551 0.489 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631915916 492882085 /nfs/dbraw/zinc/88/20/85/492882085.db2.gz QDBVVMBQZWEBKN-HLLBOEOZSA-N 2 2 374.551 0.489 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000645246053 492882813 /nfs/dbraw/zinc/88/28/13/492882813.db2.gz BSMIPEAJJKCUQQ-KRWDZBQOSA-N 2 2 355.442 0.806 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000652137308 492884676 /nfs/dbraw/zinc/88/46/76/492884676.db2.gz GQOVWNDFSMJYMV-QGZVFWFLSA-N 2 2 356.536 0.883 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658439800 492891112 /nfs/dbraw/zinc/89/11/12/492891112.db2.gz UBJKWTLZYHGQLH-MRXNPFEDSA-N 2 2 355.442 0.769 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000658439800 492891116 /nfs/dbraw/zinc/89/11/16/492891116.db2.gz UBJKWTLZYHGQLH-MRXNPFEDSA-N 2 2 355.442 0.769 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000638056402 492897727 /nfs/dbraw/zinc/89/77/27/492897727.db2.gz MMOCOVRFHCSWED-INIZCTEOSA-N 2 2 352.504 0.546 20 0 FCADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000638056402 492897733 /nfs/dbraw/zinc/89/77/33/492897733.db2.gz MMOCOVRFHCSWED-INIZCTEOSA-N 2 2 352.504 0.546 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638059631 492899178 /nfs/dbraw/zinc/89/91/78/492899178.db2.gz VQQADNXVDSLUEA-UHFFFAOYSA-N 2 2 372.513 0.887 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638105416 492906399 /nfs/dbraw/zinc/90/63/99/492906399.db2.gz IAYOSVYBKXHVJL-RYUDHWBXSA-N 2 2 372.420 0.543 20 0 FCADLP COCC[N@H+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C[C@@H]1C ZINC000638105416 492906401 /nfs/dbraw/zinc/90/64/01/492906401.db2.gz IAYOSVYBKXHVJL-RYUDHWBXSA-N 2 2 372.420 0.543 20 0 FCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000638104409 492906534 /nfs/dbraw/zinc/90/65/34/492906534.db2.gz ZKKNBFIUNFSJTH-DSLXNQLJSA-N 2 2 361.486 0.977 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652309162 492908905 /nfs/dbraw/zinc/90/89/05/492908905.db2.gz HNJSUPRQHDKHLJ-UHFFFAOYSA-N 2 2 372.477 0.585 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000638116756 492909108 /nfs/dbraw/zinc/90/91/08/492909108.db2.gz GFEPPELZUGLASE-AEFFLSMTSA-N 2 2 362.474 0.218 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000638116756 492909112 /nfs/dbraw/zinc/90/91/12/492909112.db2.gz GFEPPELZUGLASE-AEFFLSMTSA-N 2 2 362.474 0.218 20 0 FCADLP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638123273 492911028 /nfs/dbraw/zinc/91/10/28/492911028.db2.gz NLQQRMQGXHKJOO-RHSMWYFYSA-N 2 2 355.442 0.955 20 0 FCADLP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638123273 492911030 /nfs/dbraw/zinc/91/10/30/492911030.db2.gz NLQQRMQGXHKJOO-RHSMWYFYSA-N 2 2 355.442 0.955 20 0 FCADLP C[NH+]1CCN([C@@H](CNC(=O)c2cnc(C[NH3+])nc2)c2cccs2)CC1 ZINC000638134504 492913452 /nfs/dbraw/zinc/91/34/52/492913452.db2.gz OAVFOSJPXOJJGK-AWEZNQCLSA-N 2 2 360.487 0.715 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1cc(-n3cnnn3)ccc1F)C2 ZINC000652352203 492914209 /nfs/dbraw/zinc/91/42/09/492914209.db2.gz RTFSATGDHQUFAD-SJCJKPOMSA-N 2 2 359.409 0.801 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1cc(-n3cnnn3)ccc1F)C2 ZINC000652352203 492914214 /nfs/dbraw/zinc/91/42/14/492914214.db2.gz RTFSATGDHQUFAD-SJCJKPOMSA-N 2 2 359.409 0.801 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658500184 492915179 /nfs/dbraw/zinc/91/51/79/492915179.db2.gz GKRBWUWXNDUHNB-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658515467 492923236 /nfs/dbraw/zinc/92/32/36/492923236.db2.gz CGBFDPFMFUIBJK-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP CN1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)c2ccc[nH+]c21 ZINC000632073081 492923530 /nfs/dbraw/zinc/92/35/30/492923530.db2.gz SWWCKTMNICLDEW-UHFFFAOYSA-N 2 2 353.492 0.305 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000626088499 492928931 /nfs/dbraw/zinc/92/89/31/492928931.db2.gz AZZSQPASPSSZNC-UHFFFAOYSA-N 3 2 352.523 0.727 20 0 FCADLP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c2ccccc2O1 ZINC000632102516 492930364 /nfs/dbraw/zinc/93/03/64/492930364.db2.gz JGFXPXJKMFZFCQ-HUUCEWRRSA-N 2 2 369.487 0.476 20 0 FCADLP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c2ccccc2O1 ZINC000632102516 492930367 /nfs/dbraw/zinc/93/03/67/492930367.db2.gz JGFXPXJKMFZFCQ-HUUCEWRRSA-N 2 2 369.487 0.476 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000632137665 492937581 /nfs/dbraw/zinc/93/75/81/492937581.db2.gz FYMUAMZRHQDFIU-MRXNPFEDSA-N 2 2 367.519 0.217 20 0 FCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000626153861 492938728 /nfs/dbraw/zinc/93/87/28/492938728.db2.gz XTUFBBAHANMTDD-MRXNPFEDSA-N 2 2 354.495 0.204 20 0 FCADLP CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000626153861 492938731 /nfs/dbraw/zinc/93/87/31/492938731.db2.gz XTUFBBAHANMTDD-MRXNPFEDSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)[C@H](C)CO1 ZINC000638407142 492944044 /nfs/dbraw/zinc/94/40/44/492944044.db2.gz UOAXHPZWWBSAMN-UTUOFQBUSA-N 2 2 372.420 0.589 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)[C@H](C)CO1 ZINC000638407142 492944050 /nfs/dbraw/zinc/94/40/50/492944050.db2.gz UOAXHPZWWBSAMN-UTUOFQBUSA-N 2 2 372.420 0.589 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638439521 492947323 /nfs/dbraw/zinc/94/73/23/492947323.db2.gz IYOBYDAXDNPCDH-CQSZACIVSA-N 2 2 357.462 0.800 20 0 FCADLP CO[C@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000638453584 492948616 /nfs/dbraw/zinc/94/86/16/492948616.db2.gz FYEAMRMEOSNUFV-DLBZAZTESA-N 2 2 362.474 0.761 20 0 FCADLP CN(c1ccc(N2CCOCC2)[nH+]c1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632206584 492950133 /nfs/dbraw/zinc/95/01/33/492950133.db2.gz NQJVPAMMGOTHGM-UHFFFAOYSA-N 2 2 354.476 0.778 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638524517 492958061 /nfs/dbraw/zinc/95/80/61/492958061.db2.gz PSOCWOGUVYFSHQ-UHFFFAOYSA-N 3 2 354.539 0.754 20 0 FCADLP C[NH+](C)C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1cccc(C(F)(F)F)c1 ZINC000638831171 492981102 /nfs/dbraw/zinc/98/11/02/492981102.db2.gz JIIXIXRIIUAXSQ-CQSZACIVSA-N 2 2 372.391 0.856 20 0 FCADLP CCO[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658617043 492981788 /nfs/dbraw/zinc/98/17/88/492981788.db2.gz RLMJMJHTHJBMSM-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CCO[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658617043 492981790 /nfs/dbraw/zinc/98/17/90/492981790.db2.gz RLMJMJHTHJBMSM-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000652670755 492983827 /nfs/dbraw/zinc/98/38/27/492983827.db2.gz DQHLVAQQXWOVBZ-UHFFFAOYSA-N 2 2 364.515 0.728 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000652670755 492983832 /nfs/dbraw/zinc/98/38/32/492983832.db2.gz DQHLVAQQXWOVBZ-UHFFFAOYSA-N 2 2 364.515 0.728 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2)cc1 ZINC000639006542 492991657 /nfs/dbraw/zinc/99/16/57/492991657.db2.gz WPIXROQAMPSKGC-HOTGVXAUSA-N 2 2 353.488 0.448 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2)cc1 ZINC000639006542 492991661 /nfs/dbraw/zinc/99/16/61/492991661.db2.gz WPIXROQAMPSKGC-HOTGVXAUSA-N 2 2 353.488 0.448 20 0 FCADLP O=C(N1CC[NH+](CCc2cnccn2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000639003248 492991701 /nfs/dbraw/zinc/99/17/01/492991701.db2.gz FJFZJXBNCKXQIK-HNNXBMFYSA-N 2 2 357.380 0.705 20 0 FCADLP CC[C@]1(O)CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000632424146 492995247 /nfs/dbraw/zinc/99/52/47/492995247.db2.gz FELJMTFXEMPXLG-IBGZPJMESA-N 2 2 368.522 0.234 20 0 FCADLP CC[C@]1(O)CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000632424146 492995249 /nfs/dbraw/zinc/99/52/49/492995249.db2.gz FELJMTFXEMPXLG-IBGZPJMESA-N 2 2 368.522 0.234 20 0 FCADLP CC(C)([NH3+])CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981705 492996323 /nfs/dbraw/zinc/99/63/23/492996323.db2.gz QOZRXXMCGZXBFS-CQSZACIVSA-N 2 2 362.478 0.526 20 0 FCADLP CC(C)([NH3+])CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981705 492996326 /nfs/dbraw/zinc/99/63/26/492996326.db2.gz QOZRXXMCGZXBFS-CQSZACIVSA-N 2 2 362.478 0.526 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H](O)[C@H](Oc4ccccc4)C3)cn2)CC1 ZINC000639358935 493006619 /nfs/dbraw/zinc/00/66/19/493006619.db2.gz FTFKMVZFBOQFKA-RTBURBONSA-N 2 2 369.469 0.853 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](O)[C@H](Oc4ccccc4)C3)cn2)CC1 ZINC000639358935 493006626 /nfs/dbraw/zinc/00/66/26/493006626.db2.gz FTFKMVZFBOQFKA-RTBURBONSA-N 2 2 369.469 0.853 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658685398 493007056 /nfs/dbraw/zinc/00/70/56/493007056.db2.gz BLJQVARKJKPFBO-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC3([NH+](C)C)CC3)CC2)CC1 ZINC000632489862 493008433 /nfs/dbraw/zinc/00/84/33/493008433.db2.gz VNAPYNHUCBZVKR-UHFFFAOYSA-N 3 2 372.579 0.902 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC3([NH+](C)C)CC3)CC2)CC1 ZINC000632489862 493008438 /nfs/dbraw/zinc/00/84/38/493008438.db2.gz VNAPYNHUCBZVKR-UHFFFAOYSA-N 3 2 372.579 0.902 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485309 493013666 /nfs/dbraw/zinc/01/36/66/493013666.db2.gz OXBWRMLNVVPISD-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485309 493013669 /nfs/dbraw/zinc/01/36/69/493013669.db2.gz OXBWRMLNVVPISD-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639485309 493013672 /nfs/dbraw/zinc/01/36/72/493013672.db2.gz OXBWRMLNVVPISD-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639485309 493013675 /nfs/dbraw/zinc/01/36/75/493013675.db2.gz OXBWRMLNVVPISD-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513726 493014604 /nfs/dbraw/zinc/01/46/04/493014604.db2.gz INVODKJPQDTISI-PXNSSMCTSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513726 493014608 /nfs/dbraw/zinc/01/46/08/493014608.db2.gz INVODKJPQDTISI-PXNSSMCTSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@@H]2C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513726 493014610 /nfs/dbraw/zinc/01/46/10/493014610.db2.gz INVODKJPQDTISI-PXNSSMCTSA-N 2 2 372.469 0.592 20 0 FCADLP CCN1C(=O)[C@@H]2C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000639513726 493014613 /nfs/dbraw/zinc/01/46/13/493014613.db2.gz INVODKJPQDTISI-PXNSSMCTSA-N 2 2 372.469 0.592 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509538 493015211 /nfs/dbraw/zinc/01/52/11/493015211.db2.gz FMTJTLCVLSUSMY-HOCLYGCPSA-N 2 2 374.551 0.331 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509538 493015214 /nfs/dbraw/zinc/01/52/14/493015214.db2.gz FMTJTLCVLSUSMY-HOCLYGCPSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509538 493015217 /nfs/dbraw/zinc/01/52/17/493015217.db2.gz FMTJTLCVLSUSMY-HOCLYGCPSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000639509538 493015220 /nfs/dbraw/zinc/01/52/20/493015220.db2.gz FMTJTLCVLSUSMY-HOCLYGCPSA-N 2 2 374.551 0.331 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545125 493019176 /nfs/dbraw/zinc/01/91/76/493019176.db2.gz REIIZAOUEMCRGR-IAGOWNOFSA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545125 493019178 /nfs/dbraw/zinc/01/91/78/493019178.db2.gz REIIZAOUEMCRGR-IAGOWNOFSA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545125 493019184 /nfs/dbraw/zinc/01/91/84/493019184.db2.gz REIIZAOUEMCRGR-IAGOWNOFSA-N 2 2 353.488 0.247 20 0 FCADLP Cc1c(N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000626818223 493025885 /nfs/dbraw/zinc/02/58/85/493025885.db2.gz CMJCAXGRVAHEMN-CQSZACIVSA-N 2 2 359.474 0.800 20 0 FCADLP Cc1c(N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000626818223 493025887 /nfs/dbraw/zinc/02/58/87/493025887.db2.gz CMJCAXGRVAHEMN-CQSZACIVSA-N 2 2 359.474 0.800 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cn21 ZINC000646234765 493031760 /nfs/dbraw/zinc/03/17/60/493031760.db2.gz PTWIHZNIYSXPHB-QGZVFWFLSA-N 2 2 356.474 0.874 20 0 FCADLP CC[C@@]1(c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)CCC(=O)NC1=O ZINC000653065090 493065388 /nfs/dbraw/zinc/06/53/88/493065388.db2.gz SSCHFMDHOPPJMX-BEFAXECRSA-N 2 2 360.458 0.989 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000653068605 493066297 /nfs/dbraw/zinc/06/62/97/493066297.db2.gz KDLIABHWBCZQLY-HNNXBMFYSA-N 2 2 354.476 0.592 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000653078709 493067122 /nfs/dbraw/zinc/06/71/22/493067122.db2.gz IPFWQYRCFCLBSZ-DLBZAZTESA-N 2 2 362.474 0.491 20 0 FCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000653075760 493067248 /nfs/dbraw/zinc/06/72/48/493067248.db2.gz ZRJFFOBWUXMWGI-WFASDCNBSA-N 2 2 356.492 0.393 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000653074292 493067258 /nfs/dbraw/zinc/06/72/58/493067258.db2.gz CMDRYUUJOQWOJF-LBPRGKRZSA-N 2 2 357.252 0.783 20 0 FCADLP C[NH2+]CCOCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626937349 493067518 /nfs/dbraw/zinc/06/75/18/493067518.db2.gz RLOKMAOBOYSBRP-QGZVFWFLSA-N 2 2 350.463 0.595 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000653080158 493067832 /nfs/dbraw/zinc/06/78/32/493067832.db2.gz ZXYAKHWPWLAVFM-MRXNPFEDSA-N 2 2 366.893 0.832 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000653084880 493068843 /nfs/dbraw/zinc/06/88/43/493068843.db2.gz WBHSDRXOYDOSAS-HNNXBMFYSA-N 2 2 357.458 0.731 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000653098335 493069522 /nfs/dbraw/zinc/06/95/22/493069522.db2.gz KCIQHJCQOYLQIN-YPMHNXCESA-N 2 2 374.279 0.584 20 0 FCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000653094456 493069858 /nfs/dbraw/zinc/06/98/58/493069858.db2.gz GIJARSFGSHWCQV-AWEZNQCLSA-N 2 2 354.476 0.653 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000653103793 493070454 /nfs/dbraw/zinc/07/04/54/493070454.db2.gz SELOXSJZBXYIOS-HNNXBMFYSA-N 2 2 352.866 0.790 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000653120898 493074077 /nfs/dbraw/zinc/07/40/77/493074077.db2.gz FWANGESGEMHZBX-CYBMUJFWSA-N 2 2 352.483 0.290 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000653117782 493074288 /nfs/dbraw/zinc/07/42/88/493074288.db2.gz VSHDMDUIQXZVCM-KRWDZBQOSA-N 2 2 367.538 0.106 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)([NH+]2CCCCC2)CC1 ZINC000653125137 493076231 /nfs/dbraw/zinc/07/62/31/493076231.db2.gz UBJQLIUNZRNEPS-LPHOPBHVSA-N 3 2 350.507 0.289 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653124825 493076267 /nfs/dbraw/zinc/07/62/67/493076267.db2.gz IIDPHDCVRDBGJH-IBGZPJMESA-N 3 2 367.582 0.920 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653124825 493076272 /nfs/dbraw/zinc/07/62/72/493076272.db2.gz IIDPHDCVRDBGJH-IBGZPJMESA-N 4 2 367.582 0.920 20 0 FCADLP Cc1cccn2cc(CCNC(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)[nH+]c12 ZINC000626991773 493076927 /nfs/dbraw/zinc/07/69/27/493076927.db2.gz KEVKHTCNNKTNPB-INIZCTEOSA-N 2 2 368.445 0.811 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC(=O)N1C ZINC000627119053 493090893 /nfs/dbraw/zinc/09/08/93/493090893.db2.gz LGNLOBYOQUILJF-KNEBKQPDSA-N 2 2 374.489 0.723 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000653361561 493101054 /nfs/dbraw/zinc/10/10/54/493101054.db2.gz SDAUDCYFWANPCU-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1)[NH+]1CCOCC1 ZINC000633026146 493105043 /nfs/dbraw/zinc/10/50/43/493105043.db2.gz FIFDUIXPZPDLSD-COXVUDFISA-N 2 2 358.442 0.591 20 0 FCADLP CN1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)[C@H](C[NH3+])C1 ZINC000646833703 493108282 /nfs/dbraw/zinc/10/82/82/493108282.db2.gz BLNPHUCGUZJZQQ-QGZVFWFLSA-N 2 2 370.457 0.627 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)[C@@H](C[NH3+])C1 ZINC000646835546 493109768 /nfs/dbraw/zinc/10/97/68/493109768.db2.gz BUCRJCVTEPFZOM-FAKMSMKASA-N 2 2 362.518 0.810 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)[C@@H](C[NH3+])C1 ZINC000646835546 493109771 /nfs/dbraw/zinc/10/97/71/493109771.db2.gz BUCRJCVTEPFZOM-FAKMSMKASA-N 2 2 362.518 0.810 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1 ZINC000640562641 493117660 /nfs/dbraw/zinc/11/76/60/493117660.db2.gz JPYATPLPMXLLPK-ZBFHGGJFSA-N 2 2 359.392 0.885 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640608692 493120816 /nfs/dbraw/zinc/12/08/16/493120816.db2.gz ZVCSDRIDKKPPLU-CQSZACIVSA-N 2 2 374.489 0.960 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259661 493121917 /nfs/dbraw/zinc/12/19/17/493121917.db2.gz XHBHHQHJWCPJRE-UXHICEINSA-N 2 2 372.513 0.715 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)cc2)CC1 ZINC000627259661 493121918 /nfs/dbraw/zinc/12/19/18/493121918.db2.gz XHBHHQHJWCPJRE-UXHICEINSA-N 2 2 372.513 0.715 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633116300 493132378 /nfs/dbraw/zinc/13/23/78/493132378.db2.gz RPEVIHVHZUIKQL-ZBFHGGJFSA-N 2 2 360.458 0.288 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000633116491 493132643 /nfs/dbraw/zinc/13/26/43/493132643.db2.gz UNDUCTAYANNVLR-YQQAZPJKSA-N 2 2 374.485 0.849 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974545 493138048 /nfs/dbraw/zinc/13/80/48/493138048.db2.gz SNKBMBOVJSYTLO-IAGOWNOFSA-N 2 2 364.490 0.053 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974545 493138050 /nfs/dbraw/zinc/13/80/50/493138050.db2.gz SNKBMBOVJSYTLO-IAGOWNOFSA-N 2 2 364.490 0.053 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000659094310 493148830 /nfs/dbraw/zinc/14/88/30/493148830.db2.gz JGZQDBRKEWJAQW-KBPBESRZSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000659094310 493148831 /nfs/dbraw/zinc/14/88/31/493148831.db2.gz JGZQDBRKEWJAQW-KBPBESRZSA-N 2 2 360.458 0.496 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000627317694 493149137 /nfs/dbraw/zinc/14/91/37/493149137.db2.gz VMYJOLJSMJQRAO-OAHLLOKOSA-N 2 2 359.430 0.059 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000659098545 493150649 /nfs/dbraw/zinc/15/06/49/493150649.db2.gz BLVOOGARLUKYAO-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP C[NH+]1CCN(C[C@@H]2C[N@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551744 493158036 /nfs/dbraw/zinc/15/80/36/493158036.db2.gz WTIFBULJKFJRBT-NHCUHLMSSA-N 2 2 374.529 0.840 20 0 FCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)CCO2)CC1 ZINC000653551744 493158040 /nfs/dbraw/zinc/15/80/40/493158040.db2.gz WTIFBULJKFJRBT-NHCUHLMSSA-N 2 2 374.529 0.840 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000647101172 493163850 /nfs/dbraw/zinc/16/38/50/493163850.db2.gz ISTPBMFHCZGYEI-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000647101172 493163851 /nfs/dbraw/zinc/16/38/51/493163851.db2.gz ISTPBMFHCZGYEI-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP O=C(Cn1cc(Cn2cc[nH+]c2)nn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000641031508 493163811 /nfs/dbraw/zinc/16/38/11/493163811.db2.gz OGVJDJARKOWSGI-UHFFFAOYSA-N 2 2 371.470 0.929 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641053446 493164662 /nfs/dbraw/zinc/16/46/62/493164662.db2.gz SYQIIPFYQDMWHX-IAGOWNOFSA-N 2 2 365.522 0.857 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000627351406 493170218 /nfs/dbraw/zinc/17/02/18/493170218.db2.gz RBUBIEUGABJTBJ-GOSISDBHSA-N 2 2 358.486 0.617 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000627351406 493170223 /nfs/dbraw/zinc/17/02/23/493170223.db2.gz RBUBIEUGABJTBJ-GOSISDBHSA-N 2 2 358.486 0.617 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CO1 ZINC000647184126 493174120 /nfs/dbraw/zinc/17/41/20/493174120.db2.gz IIXOWJORFJMUKR-GDBMZVCRSA-N 2 2 353.488 0.890 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000647173173 493174796 /nfs/dbraw/zinc/17/47/96/493174796.db2.gz XGNLPLGKERXIIY-HUUCEWRRSA-N 2 2 354.476 0.300 20 0 FCADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H](O)C(F)(F)F ZINC000653788226 493179691 /nfs/dbraw/zinc/17/96/91/493179691.db2.gz AYGOSJCSUFPCFJ-AWEZNQCLSA-N 2 2 369.428 0.847 20 0 FCADLP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H](O)C(F)(F)F ZINC000653788226 493179697 /nfs/dbraw/zinc/17/96/97/493179697.db2.gz AYGOSJCSUFPCFJ-AWEZNQCLSA-N 2 2 369.428 0.847 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659453310 493183999 /nfs/dbraw/zinc/18/39/99/493183999.db2.gz KYAXQCMVQINRMX-KZNAEPCWSA-N 2 2 363.481 0.816 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659453310 493184007 /nfs/dbraw/zinc/18/40/07/493184007.db2.gz KYAXQCMVQINRMX-KZNAEPCWSA-N 2 2 363.481 0.816 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1)N1CCCC1 ZINC000681551301 493185876 /nfs/dbraw/zinc/18/58/76/493185876.db2.gz FDTYDJMJNSPWEG-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1)N1CCCC1 ZINC000681551301 493185883 /nfs/dbraw/zinc/18/58/83/493185883.db2.gz FDTYDJMJNSPWEG-MRXNPFEDSA-N 2 2 359.474 0.602 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627385309 493193313 /nfs/dbraw/zinc/19/33/13/493193313.db2.gz HBQMMXWGEGRAMM-UTUOFQBUSA-N 2 2 361.368 0.374 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCC(=O)N1C ZINC000659521288 493204886 /nfs/dbraw/zinc/20/48/86/493204886.db2.gz GGXFBQSKDWZGFD-NYTXWWLZSA-N 2 2 362.478 0.899 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000681709788 493208663 /nfs/dbraw/zinc/20/86/63/493208663.db2.gz LJGZYBHOKLWRRI-GOEBONIOSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000681709788 493208666 /nfs/dbraw/zinc/20/86/66/493208666.db2.gz LJGZYBHOKLWRRI-GOEBONIOSA-N 2 2 369.473 0.886 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000672593908 493211560 /nfs/dbraw/zinc/21/15/60/493211560.db2.gz JHSQDDDQIDRHRE-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000672593908 493211563 /nfs/dbraw/zinc/21/15/63/493211563.db2.gz JHSQDDDQIDRHRE-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666692013 493217400 /nfs/dbraw/zinc/21/74/00/493217400.db2.gz PEDNKQFTDCILLB-KRWDZBQOSA-N 2 2 358.442 0.552 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000666692048 493217588 /nfs/dbraw/zinc/21/75/88/493217588.db2.gz YPGQKMHMKPQWKH-WMLDXEAASA-N 2 2 360.458 0.968 20 0 FCADLP CC(C)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639034 493221758 /nfs/dbraw/zinc/22/17/58/493221758.db2.gz XWGBXCASRIZXON-RDJZCZTQSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639034 493221761 /nfs/dbraw/zinc/22/17/61/493221761.db2.gz XWGBXCASRIZXON-RDJZCZTQSA-N 2 2 350.507 0.918 20 0 FCADLP CN(Cc1cccc(O)c1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638231 493222255 /nfs/dbraw/zinc/22/22/55/493222255.db2.gz CDITYCYSRFMCNK-MRXNPFEDSA-N 2 2 374.485 0.635 20 0 FCADLP CN(Cc1cccc(O)c1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638231 493222257 /nfs/dbraw/zinc/22/22/57/493222257.db2.gz CDITYCYSRFMCNK-MRXNPFEDSA-N 2 2 374.485 0.635 20 0 FCADLP CN(CCc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639397 493222321 /nfs/dbraw/zinc/22/23/21/493222321.db2.gz BZOWDMUWPPPCNI-KRWDZBQOSA-N 2 2 373.501 0.367 20 0 FCADLP CN(CCc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639397 493222324 /nfs/dbraw/zinc/22/23/24/493222324.db2.gz BZOWDMUWPPPCNI-KRWDZBQOSA-N 2 2 373.501 0.367 20 0 FCADLP C[C@@H](CCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638120 493222796 /nfs/dbraw/zinc/22/27/96/493222796.db2.gz LCFHQTTXKBBNDU-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](CCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638120 493222799 /nfs/dbraw/zinc/22/27/99/493222799.db2.gz LCFHQTTXKBBNDU-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP CN(Cc1cccc(O)c1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638227 493222979 /nfs/dbraw/zinc/22/29/79/493222979.db2.gz CDITYCYSRFMCNK-INIZCTEOSA-N 2 2 374.485 0.635 20 0 FCADLP CN(Cc1cccc(O)c1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638227 493222981 /nfs/dbraw/zinc/22/29/81/493222981.db2.gz CDITYCYSRFMCNK-INIZCTEOSA-N 2 2 374.485 0.635 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3CCO)C2)CC1 ZINC000672641359 493223593 /nfs/dbraw/zinc/22/35/93/493223593.db2.gz QHLFOXBCTJTEAR-DOTOQJQBSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3CCO)C2)CC1 ZINC000672641359 493223596 /nfs/dbraw/zinc/22/35/96/493223596.db2.gz QHLFOXBCTJTEAR-DOTOQJQBSA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672639999 493224291 /nfs/dbraw/zinc/22/42/91/493224291.db2.gz RBXOYLOJJCNLJV-YQQAZPJKSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672639999 493224296 /nfs/dbraw/zinc/22/42/96/493224296.db2.gz RBXOYLOJJCNLJV-YQQAZPJKSA-N 2 2 366.506 0.297 20 0 FCADLP CN(CCOCC1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640273 493224571 /nfs/dbraw/zinc/22/45/71/493224571.db2.gz YKVLNILCESUSMX-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CCOCC1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640273 493224573 /nfs/dbraw/zinc/22/45/73/493224573.db2.gz YKVLNILCESUSMX-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000659633222 493226237 /nfs/dbraw/zinc/22/62/37/493226237.db2.gz RIGFHIVPTGKHOW-UHFFFAOYSA-N 2 2 357.418 0.063 20 0 FCADLP COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642285 493226585 /nfs/dbraw/zinc/22/65/85/493226585.db2.gz DZSUJFPIMLTVKO-ZBFHGGJFSA-N 2 2 354.495 0.058 20 0 FCADLP COC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672642285 493226588 /nfs/dbraw/zinc/22/65/88/493226588.db2.gz DZSUJFPIMLTVKO-ZBFHGGJFSA-N 2 2 354.495 0.058 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCCS3)C2)CC1 ZINC000672642580 493226780 /nfs/dbraw/zinc/22/67/80/493226780.db2.gz CWWGDXPCPLVAGL-GOEBONIOSA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCCS3)C2)CC1 ZINC000672642580 493226783 /nfs/dbraw/zinc/22/67/83/493226783.db2.gz CWWGDXPCPLVAGL-GOEBONIOSA-N 2 2 368.547 0.673 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)CC[C@H]1[NH3+] ZINC000659642010 493227157 /nfs/dbraw/zinc/22/71/57/493227157.db2.gz TYNPVSLVFRIQKP-IXYNUQLISA-N 2 2 362.478 0.851 20 0 FCADLP CN(Cc1nccs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643088 493227988 /nfs/dbraw/zinc/22/79/88/493227988.db2.gz OUCCNWHRQFJMER-CYBMUJFWSA-N 2 2 365.503 0.386 20 0 FCADLP CN(Cc1nccs1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643088 493227992 /nfs/dbraw/zinc/22/79/92/493227992.db2.gz OUCCNWHRQFJMER-CYBMUJFWSA-N 2 2 365.503 0.386 20 0 FCADLP C[C@@H]1SCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672643018 493228010 /nfs/dbraw/zinc/22/80/10/493228010.db2.gz MRULCQPPPKIILL-SOUVJXGZSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1SCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000672643018 493228013 /nfs/dbraw/zinc/22/80/13/493228013.db2.gz MRULCQPPPKIILL-SOUVJXGZSA-N 2 2 368.547 0.624 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC(=O)N1C ZINC000659642617 493228222 /nfs/dbraw/zinc/22/82/22/493228222.db2.gz XMNMTFCSAHHIIP-HOSILWTGSA-N 2 2 360.462 0.475 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000672697196 493235449 /nfs/dbraw/zinc/23/54/49/493235449.db2.gz WOYJDPHETHHQCH-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000666902417 493236521 /nfs/dbraw/zinc/23/65/21/493236521.db2.gz PZFCEQFGWCNKJJ-IAGOWNOFSA-N 2 2 360.458 0.843 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000672708145 493237271 /nfs/dbraw/zinc/23/72/71/493237271.db2.gz FIBAICGGQZARAG-SJORKVTESA-N 2 2 367.538 0.517 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000666928692 493238485 /nfs/dbraw/zinc/23/84/85/493238485.db2.gz RELGKYGCQMKVMM-AWEZNQCLSA-N 2 2 372.477 0.679 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000666928692 493238489 /nfs/dbraw/zinc/23/84/89/493238489.db2.gz RELGKYGCQMKVMM-AWEZNQCLSA-N 2 2 372.477 0.679 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c12 ZINC000672766682 493247804 /nfs/dbraw/zinc/24/78/04/493247804.db2.gz VBJGBYJNYGWNJH-WBVHZDCISA-N 2 2 369.469 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)[nH+]c12 ZINC000672766682 493247807 /nfs/dbraw/zinc/24/78/07/493247807.db2.gz VBJGBYJNYGWNJH-WBVHZDCISA-N 2 2 369.469 0.854 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c[nH+]2)CCO1 ZINC000659691380 493255905 /nfs/dbraw/zinc/25/59/05/493255905.db2.gz IFDHOGMMQWNERO-CYBMUJFWSA-N 2 2 363.462 0.119 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672899345 493264369 /nfs/dbraw/zinc/26/43/69/493264369.db2.gz ZAFCCUIVRIYTNJ-QGZVFWFLSA-N 2 2 369.554 0.358 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672899345 493264371 /nfs/dbraw/zinc/26/43/71/493264371.db2.gz ZAFCCUIVRIYTNJ-QGZVFWFLSA-N 2 2 369.554 0.358 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672899345 493264374 /nfs/dbraw/zinc/26/43/74/493264374.db2.gz ZAFCCUIVRIYTNJ-QGZVFWFLSA-N 2 2 369.554 0.358 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672899345 493264376 /nfs/dbraw/zinc/26/43/76/493264376.db2.gz ZAFCCUIVRIYTNJ-QGZVFWFLSA-N 2 2 369.554 0.358 20 0 FCADLP CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000672951385 493269852 /nfs/dbraw/zinc/26/98/52/493269852.db2.gz FGJSXLFYENLJNB-IAGOWNOFSA-N 2 2 368.522 0.728 20 0 FCADLP CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000672951385 493269853 /nfs/dbraw/zinc/26/98/53/493269853.db2.gz FGJSXLFYENLJNB-IAGOWNOFSA-N 2 2 368.522 0.728 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000659727252 493274451 /nfs/dbraw/zinc/27/44/51/493274451.db2.gz JNJWHLKNYVFGFP-USXIJHARSA-N 2 2 371.485 0.802 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659727250 493274724 /nfs/dbraw/zinc/27/47/24/493274724.db2.gz JNJWHLKNYVFGFP-DJIMGWMZSA-N 2 2 371.485 0.802 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCO1 ZINC000667404575 493283567 /nfs/dbraw/zinc/28/35/67/493283567.db2.gz RQJAQMXGXMWMPU-BDJLRTHQSA-N 2 2 371.441 0.964 20 0 FCADLP COc1ccncc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270456 493284634 /nfs/dbraw/zinc/28/46/34/493284634.db2.gz JKVWKKXAHXBKLW-CYBMUJFWSA-N 2 2 361.446 0.313 20 0 FCADLP COc1ccncc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270456 493284638 /nfs/dbraw/zinc/28/46/38/493284638.db2.gz JKVWKKXAHXBKLW-CYBMUJFWSA-N 2 2 361.446 0.313 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166861 493297224 /nfs/dbraw/zinc/29/72/24/493297224.db2.gz XDKWUKVDMPZIAC-SJORKVTESA-N 2 2 366.506 0.155 20 0 FCADLP COC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000673166861 493297227 /nfs/dbraw/zinc/29/72/27/493297227.db2.gz XDKWUKVDMPZIAC-SJORKVTESA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668504914 493367019 /nfs/dbraw/zinc/36/70/19/493367019.db2.gz WFOQWMLZWPKKFK-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668504914 493367021 /nfs/dbraw/zinc/36/70/21/493367021.db2.gz WFOQWMLZWPKKFK-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651822 493369811 /nfs/dbraw/zinc/36/98/11/493369811.db2.gz CLXLACGLBMRRRR-FQEVSTJZSA-N 2 2 374.485 0.982 20 0 FCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651822 493369813 /nfs/dbraw/zinc/36/98/13/493369813.db2.gz CLXLACGLBMRRRR-FQEVSTJZSA-N 2 2 374.485 0.982 20 0 FCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651822 493369816 /nfs/dbraw/zinc/36/98/16/493369816.db2.gz CLXLACGLBMRRRR-FQEVSTJZSA-N 2 2 374.485 0.982 20 0 FCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000660651822 493369819 /nfs/dbraw/zinc/36/98/19/493369819.db2.gz CLXLACGLBMRRRR-FQEVSTJZSA-N 2 2 374.485 0.982 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NC(=O)CC[C@@H]4C3)C2)CC1 ZINC000660711716 493375610 /nfs/dbraw/zinc/37/56/10/493375610.db2.gz GCRDRXMFLYNZEZ-VYDXJSESSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NC(=O)CC[C@@H]4C3)C2)CC1 ZINC000660711716 493375613 /nfs/dbraw/zinc/37/56/13/493375613.db2.gz GCRDRXMFLYNZEZ-VYDXJSESSA-N 2 2 363.506 0.465 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660831757 493383009 /nfs/dbraw/zinc/38/30/09/493383009.db2.gz VEXKKBWGJVOGGH-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660831757 493383011 /nfs/dbraw/zinc/38/30/11/493383011.db2.gz VEXKKBWGJVOGGH-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668692805 493398428 /nfs/dbraw/zinc/39/84/28/493398428.db2.gz ILYRLCYTSULGPY-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000668692805 493398431 /nfs/dbraw/zinc/39/84/31/493398431.db2.gz ILYRLCYTSULGPY-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000661006517 493401515 /nfs/dbraw/zinc/40/15/15/493401515.db2.gz IGSNOQMQISEFAK-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H](O)C1CC1 ZINC000674315056 493407429 /nfs/dbraw/zinc/40/74/29/493407429.db2.gz VUHJEPYWIXMDPE-KRWDZBQOSA-N 2 2 353.507 0.840 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H](O)C1CC1 ZINC000674315056 493407430 /nfs/dbraw/zinc/40/74/30/493407430.db2.gz VUHJEPYWIXMDPE-KRWDZBQOSA-N 2 2 353.507 0.840 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000684478733 493415077 /nfs/dbraw/zinc/41/50/77/493415077.db2.gz JNVAIGTZYMPXSW-AWEZNQCLSA-N 2 2 373.505 0.978 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000684478733 493415078 /nfs/dbraw/zinc/41/50/78/493415078.db2.gz JNVAIGTZYMPXSW-AWEZNQCLSA-N 2 2 373.505 0.978 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](CO)[C@@H]3CCOC3)C2)CC1 ZINC000684660993 493427175 /nfs/dbraw/zinc/42/71/75/493427175.db2.gz RKQHDOTVKHEUQO-OAGGEKHMSA-N 2 2 354.495 0.099 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](CO)[C@@H]3CCOC3)C2)CC1 ZINC000684660993 493427176 /nfs/dbraw/zinc/42/71/76/493427176.db2.gz RKQHDOTVKHEUQO-OAGGEKHMSA-N 2 2 354.495 0.099 20 0 FCADLP CN(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1c[nH+]cn1C ZINC000684834657 493433878 /nfs/dbraw/zinc/43/38/78/493433878.db2.gz CFVXEYSCGGFKPI-MRXNPFEDSA-N 2 2 351.495 0.840 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661507793 493443472 /nfs/dbraw/zinc/44/34/72/493443472.db2.gz LLIJXQZGBIBCEJ-HOCLYGCPSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661507793 493443475 /nfs/dbraw/zinc/44/34/75/493443475.db2.gz LLIJXQZGBIBCEJ-HOCLYGCPSA-N 2 2 365.522 0.854 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C2(C(N)=O)CCOCC2)CC1 ZINC000661593664 493449237 /nfs/dbraw/zinc/44/92/37/493449237.db2.gz BXQJXTSJTOJTAF-UHFFFAOYSA-N 2 2 374.485 0.263 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CCC1 ZINC000669025606 493453553 /nfs/dbraw/zinc/45/35/53/493453553.db2.gz ATOCYVHARQTRGO-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC)CC1)CCC(F)(F)F ZINC000685176344 493462599 /nfs/dbraw/zinc/46/25/99/493462599.db2.gz WSRYUUYIPKETGE-UHFFFAOYSA-N 2 2 352.401 0.541 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC)CC1)CCC(F)(F)F ZINC000685176344 493462602 /nfs/dbraw/zinc/46/26/02/493462602.db2.gz WSRYUUYIPKETGE-UHFFFAOYSA-N 2 2 352.401 0.541 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[N@@H+]1C1CC1 ZINC000685276309 493470667 /nfs/dbraw/zinc/47/06/67/493470667.db2.gz XCEQSJGZAZGUEK-HLLBOEOZSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[N@H+]1C1CC1 ZINC000685276309 493470669 /nfs/dbraw/zinc/47/06/69/493470669.db2.gz XCEQSJGZAZGUEK-HLLBOEOZSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000669203349 493476172 /nfs/dbraw/zinc/47/61/72/493476172.db2.gz LONQPGXOUVLHLS-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412464 493489022 /nfs/dbraw/zinc/48/90/22/493489022.db2.gz XOWBRZQCOPEWBE-OAHLLOKOSA-N 2 2 364.515 0.769 20 0 FCADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412464 493489024 /nfs/dbraw/zinc/48/90/24/493489024.db2.gz XOWBRZQCOPEWBE-OAHLLOKOSA-N 2 2 364.515 0.769 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412464 493489026 /nfs/dbraw/zinc/48/90/26/493489026.db2.gz XOWBRZQCOPEWBE-OAHLLOKOSA-N 2 2 364.515 0.769 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412464 493489028 /nfs/dbraw/zinc/48/90/28/493489028.db2.gz XOWBRZQCOPEWBE-OAHLLOKOSA-N 2 2 364.515 0.769 20 0 FCADLP CN(C(=O)CNC(=O)c1ccncc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605560 493494604 /nfs/dbraw/zinc/49/46/04/493494604.db2.gz QFDLQSNHGHKOLI-KRWDZBQOSA-N 2 2 359.474 0.438 20 0 FCADLP CN(C(=O)CNC(=O)c1ccncc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605560 493494607 /nfs/dbraw/zinc/49/46/07/493494607.db2.gz QFDLQSNHGHKOLI-KRWDZBQOSA-N 2 2 359.474 0.438 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498079 /nfs/dbraw/zinc/49/80/79/493498079.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498082 /nfs/dbraw/zinc/49/80/82/493498082.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498085 /nfs/dbraw/zinc/49/80/85/493498085.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498088 /nfs/dbraw/zinc/49/80/88/493498088.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498090 /nfs/dbraw/zinc/49/80/90/493498090.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498092 /nfs/dbraw/zinc/49/80/92/493498092.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498095 /nfs/dbraw/zinc/49/80/95/493498095.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)[C@H]1C ZINC000662222575 493498097 /nfs/dbraw/zinc/49/80/97/493498097.db2.gz GEMRGGJOABAZCI-WTGUMLROSA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222555 493498741 /nfs/dbraw/zinc/49/87/41/493498741.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222555 493498743 /nfs/dbraw/zinc/49/87/43/493498743.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222555 493498745 /nfs/dbraw/zinc/49/87/45/493498745.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222555 493498746 /nfs/dbraw/zinc/49/87/46/493498746.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222555 493498748 /nfs/dbraw/zinc/49/87/48/493498748.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000662222555 493498749 /nfs/dbraw/zinc/49/87/49/493498749.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222555 493498751 /nfs/dbraw/zinc/49/87/51/493498751.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)CN1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000662222555 493498753 /nfs/dbraw/zinc/49/87/53/493498753.db2.gz GEMRGGJOABAZCI-FGYAAKKASA-N 3 2 372.598 0.783 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264077 493501997 /nfs/dbraw/zinc/50/19/97/493501997.db2.gz PSKJPYQBYFEGRJ-MSOLQXFVSA-N 3 2 352.523 0.234 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264077 493501998 /nfs/dbraw/zinc/50/19/98/493501998.db2.gz PSKJPYQBYFEGRJ-MSOLQXFVSA-N 3 2 352.523 0.234 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000669405497 493502137 /nfs/dbraw/zinc/50/21/37/493502137.db2.gz FDOGCHNEVFSEMH-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669405435 493502394 /nfs/dbraw/zinc/50/23/94/493502394.db2.gz HLJOFJBMBCQOLU-YFHUEUNASA-N 2 2 368.547 0.882 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCC(OCc2ccccc2)CC1 ZINC000662285960 493502469 /nfs/dbraw/zinc/50/24/69/493502469.db2.gz CCPBURKBRQBMOY-UHFFFAOYSA-N 2 2 361.486 0.898 20 0 FCADLP CC[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[C@@H]1[NH3+] ZINC000669405486 493502553 /nfs/dbraw/zinc/50/25/53/493502553.db2.gz BETPDBWVPPYDDI-VYDXJSESSA-N 2 2 356.536 0.963 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)n(-c2ccccc2F)n1 ZINC000662285983 493502614 /nfs/dbraw/zinc/50/26/14/493502614.db2.gz DMCQKRULICDPFX-UHFFFAOYSA-N 2 2 361.421 0.962 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000675782465 493503047 /nfs/dbraw/zinc/50/30/47/493503047.db2.gz UEDDJYIHZNXUHL-CYBMUJFWSA-N 2 2 354.476 0.483 20 0 FCADLP C[NH2+]CC1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000669491675 493507687 /nfs/dbraw/zinc/50/76/87/493507687.db2.gz GKCUSHLGKJFZCW-UHFFFAOYSA-N 2 2 365.522 0.572 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662334989 493508067 /nfs/dbraw/zinc/50/80/67/493508067.db2.gz FUUXIRKWGZCFQK-AWEZNQCLSA-N 2 2 373.461 0.934 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662334989 493508069 /nfs/dbraw/zinc/50/80/69/493508069.db2.gz FUUXIRKWGZCFQK-AWEZNQCLSA-N 2 2 373.461 0.934 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662336128 493508109 /nfs/dbraw/zinc/50/81/09/493508109.db2.gz VNRQFVJEMXKPJM-CQSZACIVSA-N 2 2 373.461 0.934 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662336128 493508112 /nfs/dbraw/zinc/50/81/12/493508112.db2.gz VNRQFVJEMXKPJM-CQSZACIVSA-N 2 2 373.461 0.934 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](Cc3ccncc3)CC2)cnn1C ZINC000662355888 493509202 /nfs/dbraw/zinc/50/92/02/493509202.db2.gz GQFGPRHYDTVIIF-RBUKOAKNSA-N 2 2 368.485 0.771 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542760 493510077 /nfs/dbraw/zinc/51/00/77/493510077.db2.gz DZZXIAWNJGXIHB-HOTGVXAUSA-N 2 2 374.489 0.689 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)ccn12 ZINC000662401886 493512914 /nfs/dbraw/zinc/51/29/14/493512914.db2.gz SOZVVAYOJDVZPS-MRXNPFEDSA-N 2 2 355.442 0.927 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685790287 493515908 /nfs/dbraw/zinc/51/59/08/493515908.db2.gz NUNDCYHJVPCOBO-NUEKZKHPSA-N 2 2 365.478 0.318 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685790287 493515910 /nfs/dbraw/zinc/51/59/10/493515910.db2.gz NUNDCYHJVPCOBO-NUEKZKHPSA-N 2 2 365.478 0.318 20 0 FCADLP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662457107 493517165 /nfs/dbraw/zinc/51/71/65/493517165.db2.gz CCSMMEXCFHJOGH-LSDHHAIUSA-N 2 2 362.478 0.396 20 0 FCADLP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662457107 493517166 /nfs/dbraw/zinc/51/71/66/493517166.db2.gz CCSMMEXCFHJOGH-LSDHHAIUSA-N 2 2 362.478 0.396 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1F ZINC000662666076 493530582 /nfs/dbraw/zinc/53/05/82/493530582.db2.gz NKHPQVINQFFINB-RHSMWYFYSA-N 2 2 351.422 0.842 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662690079 493532181 /nfs/dbraw/zinc/53/21/81/493532181.db2.gz ZFEQVRFCRMOBJY-HZPDHXFCSA-N 2 2 362.478 0.530 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662699838 493533059 /nfs/dbraw/zinc/53/30/59/493533059.db2.gz DIYMEPHRVHUPTJ-CQSZACIVSA-N 2 2 350.467 0.433 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCO1 ZINC000662699838 493533062 /nfs/dbraw/zinc/53/30/62/493533062.db2.gz DIYMEPHRVHUPTJ-CQSZACIVSA-N 2 2 350.467 0.433 20 0 FCADLP COc1ccccc1C(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000669927339 493535612 /nfs/dbraw/zinc/53/56/12/493535612.db2.gz WEISKEOTMHHSCH-UHFFFAOYSA-N 2 2 374.485 0.617 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000662758572 493540067 /nfs/dbraw/zinc/54/00/67/493540067.db2.gz QLKDMABSXXJBSW-PBHICJAKSA-N 2 2 373.457 0.740 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1F ZINC000662765595 493540593 /nfs/dbraw/zinc/54/05/93/493540593.db2.gz BAIVNILBLFXHNA-WBMJQRKESA-N 2 2 352.385 0.387 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662810263 493543971 /nfs/dbraw/zinc/54/39/71/493543971.db2.gz PNWRYPAKGGGHMF-VGWMRTNUSA-N 2 2 353.442 0.155 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662810263 493543974 /nfs/dbraw/zinc/54/39/74/493543974.db2.gz PNWRYPAKGGGHMF-VGWMRTNUSA-N 2 2 353.442 0.155 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899144 493550021 /nfs/dbraw/zinc/55/00/21/493550021.db2.gz BXDLGWOZWFSPSQ-HOCLYGCPSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899144 493550023 /nfs/dbraw/zinc/55/00/23/493550023.db2.gz BXDLGWOZWFSPSQ-HOCLYGCPSA-N 3 2 360.506 0.727 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662923169 493554040 /nfs/dbraw/zinc/55/40/40/493554040.db2.gz PYLQBMFFZALLPO-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662943964 493558266 /nfs/dbraw/zinc/55/82/66/493558266.db2.gz GGWGKEZSRXDMCQ-DLBZAZTESA-N 2 2 373.501 0.974 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000670479661 493572651 /nfs/dbraw/zinc/57/26/51/493572651.db2.gz GIUIQQRJWRAVTB-KRWDZBQOSA-N 2 2 360.458 0.128 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000670479661 493572652 /nfs/dbraw/zinc/57/26/52/493572652.db2.gz GIUIQQRJWRAVTB-KRWDZBQOSA-N 2 2 360.458 0.128 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccccc3F)C2)CC1 ZINC000670505346 493575638 /nfs/dbraw/zinc/57/56/38/493575638.db2.gz JXHRVEFQFDTJQQ-HNNXBMFYSA-N 2 2 362.449 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccccc3F)C2)CC1 ZINC000670505346 493575640 /nfs/dbraw/zinc/57/56/40/493575640.db2.gz JXHRVEFQFDTJQQ-HNNXBMFYSA-N 2 2 362.449 0.727 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCOc3ccccc3)C2)CC1 ZINC000670536508 493577992 /nfs/dbraw/zinc/57/79/92/493577992.db2.gz ZNYITQKDMBSQFP-INIZCTEOSA-N 2 2 374.485 0.466 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCOc3ccccc3)C2)CC1 ZINC000670536508 493577994 /nfs/dbraw/zinc/57/79/94/493577994.db2.gz ZNYITQKDMBSQFP-INIZCTEOSA-N 2 2 374.485 0.466 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537448 493578264 /nfs/dbraw/zinc/57/82/64/493578264.db2.gz OQEGJOFQOZYYHB-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537448 493578266 /nfs/dbraw/zinc/57/82/66/493578266.db2.gz OQEGJOFQOZYYHB-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537240 493578454 /nfs/dbraw/zinc/57/84/54/493578454.db2.gz GVAPXGLUWFGBFW-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537240 493578457 /nfs/dbraw/zinc/57/84/57/493578457.db2.gz GVAPXGLUWFGBFW-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639743 493584323 /nfs/dbraw/zinc/58/43/23/493584323.db2.gz AQTWDRAKIDXADI-QGZVFWFLSA-N 2 2 355.442 0.732 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639743 493584325 /nfs/dbraw/zinc/58/43/25/493584325.db2.gz AQTWDRAKIDXADI-QGZVFWFLSA-N 2 2 355.442 0.732 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3CC[N@@H+](C4CC4)C3)nc2)CC1 ZINC000663425208 493588339 /nfs/dbraw/zinc/58/83/39/493588339.db2.gz GRCLEZJGIKXYAI-AWEZNQCLSA-N 2 2 365.503 0.666 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3CC[N@H+](C4CC4)C3)nc2)CC1 ZINC000663425208 493588341 /nfs/dbraw/zinc/58/83/41/493588341.db2.gz GRCLEZJGIKXYAI-AWEZNQCLSA-N 2 2 365.503 0.666 20 0 FCADLP CC(C)(CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663440000 493589685 /nfs/dbraw/zinc/58/96/85/493589685.db2.gz CSEJENRTAQUMBM-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)(CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCOCC1 ZINC000663440000 493589687 /nfs/dbraw/zinc/58/96/87/493589687.db2.gz CSEJENRTAQUMBM-MRXNPFEDSA-N 2 2 354.495 0.338 20 0 FCADLP CC[N@@H+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000677201949 493589882 /nfs/dbraw/zinc/58/98/82/493589882.db2.gz DTMNWQPRGHRSJI-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP CC[N@H+]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000677201949 493589884 /nfs/dbraw/zinc/58/98/84/493589884.db2.gz DTMNWQPRGHRSJI-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000663523383 493593665 /nfs/dbraw/zinc/59/36/65/493593665.db2.gz JJKWXUKMHZOGGP-JYJNAYRXSA-N 2 2 361.421 0.965 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670787340 493597004 /nfs/dbraw/zinc/59/70/04/493597004.db2.gz GAJYWONGXCKPKL-MRXNPFEDSA-N 2 2 355.442 0.594 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663560309 493598839 /nfs/dbraw/zinc/59/88/39/493598839.db2.gz KZQTYOQEFXREFB-MSOLQXFVSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663560309 493598840 /nfs/dbraw/zinc/59/88/40/493598840.db2.gz KZQTYOQEFXREFB-MSOLQXFVSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000670813417 493599633 /nfs/dbraw/zinc/59/96/33/493599633.db2.gz DJYOBGXSANCDIV-PMPSAXMXSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000670813417 493599635 /nfs/dbraw/zinc/59/96/35/493599635.db2.gz DJYOBGXSANCDIV-PMPSAXMXSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000670813416 493599673 /nfs/dbraw/zinc/59/96/73/493599673.db2.gz DJYOBGXSANCDIV-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000670813416 493599675 /nfs/dbraw/zinc/59/96/75/493599675.db2.gz DJYOBGXSANCDIV-OAGGEKHMSA-N 2 2 354.495 0.058 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cncc(N4CCOCC4)c3)C2)CC1 ZINC000677426097 493600712 /nfs/dbraw/zinc/60/07/12/493600712.db2.gz XZEAYZDHTSGCKP-QGZVFWFLSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cncc(N4CCOCC4)c3)C2)CC1 ZINC000677426097 493600713 /nfs/dbraw/zinc/60/07/13/493600713.db2.gz XZEAYZDHTSGCKP-QGZVFWFLSA-N 2 2 373.501 0.817 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663613182 493604003 /nfs/dbraw/zinc/60/40/03/493604003.db2.gz CCXGLELWCDINNQ-IBGZPJMESA-N 2 2 359.474 0.241 20 0 FCADLP COCC1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000677571361 493608702 /nfs/dbraw/zinc/60/87/02/493608702.db2.gz BYOUDFFBFYTNBK-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP COCC1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000677571361 493608704 /nfs/dbraw/zinc/60/87/04/493608704.db2.gz BYOUDFFBFYTNBK-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000670978579 493617315 /nfs/dbraw/zinc/61/73/15/493617315.db2.gz FNGWUURWFMPHJE-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP CN(C(=O)c1ccc2n[nH]c(=O)n2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677813539 493617710 /nfs/dbraw/zinc/61/77/10/493617710.db2.gz LYCOCFLLMZBFIH-HNNXBMFYSA-N 2 2 358.446 0.675 20 0 FCADLP CN(C(=O)c1ccc2n[nH]c(=O)n2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677813539 493617711 /nfs/dbraw/zinc/61/77/11/493617711.db2.gz LYCOCFLLMZBFIH-HNNXBMFYSA-N 2 2 358.446 0.675 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000670979531 493617805 /nfs/dbraw/zinc/61/78/05/493617805.db2.gz ZCZNYGIZGNYCHV-KRWDZBQOSA-N 2 2 369.469 0.989 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000670979531 493617806 /nfs/dbraw/zinc/61/78/06/493617806.db2.gz ZCZNYGIZGNYCHV-KRWDZBQOSA-N 2 2 369.469 0.989 20 0 FCADLP C[C@H]1CN(c2nc(N3CCOCC3)cc[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677884651 493621338 /nfs/dbraw/zinc/62/13/38/493621338.db2.gz NYDSYSRUHRXAOW-DLBZAZTESA-N 2 2 360.506 0.775 20 0 FCADLP CCS(=O)(=O)C1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000663877089 493622932 /nfs/dbraw/zinc/62/29/32/493622932.db2.gz QWAGEILKALBCBR-UHFFFAOYSA-N 2 2 372.535 0.374 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000677967634 493627593 /nfs/dbraw/zinc/62/75/93/493627593.db2.gz ARJKNIXYEBMDSP-GJZGRUSLSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)c1ccoc1CC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000677967634 493627594 /nfs/dbraw/zinc/62/75/94/493627594.db2.gz ARJKNIXYEBMDSP-GJZGRUSLSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000677967634 493627595 /nfs/dbraw/zinc/62/75/95/493627595.db2.gz ARJKNIXYEBMDSP-GJZGRUSLSA-N 2 2 362.474 0.761 20 0 FCADLP C[C@H]1C[NH+](C)CCN1C(=O)Cc1occc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000677967634 493627596 /nfs/dbraw/zinc/62/75/96/493627596.db2.gz ARJKNIXYEBMDSP-GJZGRUSLSA-N 2 2 362.474 0.761 20 0 FCADLP CN(C(=O)C(=O)NCC1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671072072 493629777 /nfs/dbraw/zinc/62/97/77/493629777.db2.gz CWVUIDNCHDSTHO-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NCC1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671072072 493629778 /nfs/dbraw/zinc/62/97/78/493629778.db2.gz CWVUIDNCHDSTHO-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671102572 493633337 /nfs/dbraw/zinc/63/33/37/493633337.db2.gz ZLDHMDZTQZUJAG-GDBMZVCRSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671102572 493633338 /nfs/dbraw/zinc/63/33/38/493633338.db2.gz ZLDHMDZTQZUJAG-GDBMZVCRSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107292 493636027 /nfs/dbraw/zinc/63/60/27/493636027.db2.gz CCFCHGYFFXFHRZ-HLLBOEOZSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107292 493636029 /nfs/dbraw/zinc/63/60/29/493636029.db2.gz CCFCHGYFFXFHRZ-HLLBOEOZSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122476 493639159 /nfs/dbraw/zinc/63/91/59/493639159.db2.gz BMSUCAWIIINEEU-CABCVRRESA-N 2 2 357.458 0.377 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000671122476 493639160 /nfs/dbraw/zinc/63/91/60/493639160.db2.gz BMSUCAWIIINEEU-CABCVRRESA-N 2 2 357.458 0.377 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671122793 493639275 /nfs/dbraw/zinc/63/92/75/493639275.db2.gz SMQMMZKTTZTNCR-GOSISDBHSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671122793 493639276 /nfs/dbraw/zinc/63/92/76/493639276.db2.gz SMQMMZKTTZTNCR-GOSISDBHSA-N 2 2 370.497 0.931 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000664183669 493642989 /nfs/dbraw/zinc/64/29/89/493642989.db2.gz SGURTIFLKXSIIA-KRWDZBQOSA-N 2 2 354.495 0.461 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000664183669 493642991 /nfs/dbraw/zinc/64/29/91/493642991.db2.gz SGURTIFLKXSIIA-KRWDZBQOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671153091 493644400 /nfs/dbraw/zinc/64/44/00/493644400.db2.gz DQCUZRAMJRKKBU-CQSZACIVSA-N 2 2 361.471 0.794 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2nc3c(s2)CCC3)CN1CC[NH+]1CCOCC1 ZINC000678497327 493646575 /nfs/dbraw/zinc/64/65/75/493646575.db2.gz RHPHHXUSOQAMKB-ZDUSSCGKSA-N 2 2 350.488 0.655 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)n1C ZINC000664350451 493654674 /nfs/dbraw/zinc/65/46/74/493654674.db2.gz LXPDCEPCCJWNDE-HNNXBMFYSA-N 2 2 364.494 0.882 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3Cc4ccccc43)C2)CC1 ZINC000671324508 493655000 /nfs/dbraw/zinc/65/50/00/493655000.db2.gz OUIUSADENBAMMT-IRXDYDNUSA-N 2 2 370.497 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3Cc4ccccc43)C2)CC1 ZINC000671324508 493655003 /nfs/dbraw/zinc/65/50/03/493655003.db2.gz OUIUSADENBAMMT-IRXDYDNUSA-N 2 2 370.497 0.727 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCOC1 ZINC000671336687 493656230 /nfs/dbraw/zinc/65/62/30/493656230.db2.gz PQHZJGQYMOMKQA-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCOC1 ZINC000671336687 493656231 /nfs/dbraw/zinc/65/62/31/493656231.db2.gz PQHZJGQYMOMKQA-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)[nH+]c2c1 ZINC000671357964 493659025 /nfs/dbraw/zinc/65/90/25/493659025.db2.gz HJVNPKWAAGVHLQ-OAHLLOKOSA-N 2 2 355.442 0.859 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)[nH+]c2c1 ZINC000671357964 493659027 /nfs/dbraw/zinc/65/90/27/493659027.db2.gz HJVNPKWAAGVHLQ-OAHLLOKOSA-N 2 2 355.442 0.859 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](C)CO1 ZINC000664473002 493661798 /nfs/dbraw/zinc/66/17/98/493661798.db2.gz JHCWUKGQGPBSFG-AHCXZYCDSA-N 2 2 368.522 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](C)CO1 ZINC000664473002 493661799 /nfs/dbraw/zinc/66/17/99/493661799.db2.gz JHCWUKGQGPBSFG-AHCXZYCDSA-N 2 2 368.522 0.773 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000671390474 493663503 /nfs/dbraw/zinc/66/35/03/493663503.db2.gz RJPJJHRYCQEJIC-RDJZCZTQSA-N 2 2 362.474 0.070 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000671390474 493663507 /nfs/dbraw/zinc/66/35/07/493663507.db2.gz RJPJJHRYCQEJIC-RDJZCZTQSA-N 2 2 362.474 0.070 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671390474 493663509 /nfs/dbraw/zinc/66/35/09/493663509.db2.gz RJPJJHRYCQEJIC-RDJZCZTQSA-N 2 2 362.474 0.070 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000664518507 493664898 /nfs/dbraw/zinc/66/48/98/493664898.db2.gz CKECQYIXHBLNLR-OAHLLOKOSA-N 2 2 362.478 0.322 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000664537516 493666376 /nfs/dbraw/zinc/66/63/76/493666376.db2.gz NILKYCWNOCTCNM-KRWDZBQOSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000664537177 493666445 /nfs/dbraw/zinc/66/64/45/493666445.db2.gz GGBNVGVIJIEUKA-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000664537177 493666447 /nfs/dbraw/zinc/66/64/47/493666447.db2.gz GGBNVGVIJIEUKA-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537177 493666449 /nfs/dbraw/zinc/66/64/49/493666449.db2.gz GGBNVGVIJIEUKA-CVEARBPZSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537177 493666451 /nfs/dbraw/zinc/66/64/51/493666451.db2.gz GGBNVGVIJIEUKA-CVEARBPZSA-N 3 2 355.527 0.421 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000664597654 493670151 /nfs/dbraw/zinc/67/01/51/493670151.db2.gz BWFKADUSUHULIP-IAGOWNOFSA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000664597654 493670153 /nfs/dbraw/zinc/67/01/53/493670153.db2.gz BWFKADUSUHULIP-IAGOWNOFSA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH+]cn1 ZINC000664597654 493670156 /nfs/dbraw/zinc/67/01/56/493670156.db2.gz BWFKADUSUHULIP-IAGOWNOFSA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH+]cn1 ZINC000664597654 493670159 /nfs/dbraw/zinc/67/01/59/493670159.db2.gz BWFKADUSUHULIP-IAGOWNOFSA-N 2 2 361.490 0.863 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](CNc2cc[nH+]cc2C(N)=O)CCC(=O)N1C1CC1 ZINC000664661418 493675887 /nfs/dbraw/zinc/67/58/87/493675887.db2.gz SYVZCEBHYMNLIO-PXAZEXFGSA-N 2 2 368.441 0.890 20 0 FCADLP CC(C)(CNC(=O)CN1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000679441046 493681011 /nfs/dbraw/zinc/68/10/11/493681011.db2.gz YJKVWTJBQAAAHU-UHFFFAOYSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000679505543 493683812 /nfs/dbraw/zinc/68/38/12/493683812.db2.gz GXPOCVFFYVNQSV-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000679505543 493683813 /nfs/dbraw/zinc/68/38/13/493683813.db2.gz GXPOCVFFYVNQSV-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000679508100 493684527 /nfs/dbraw/zinc/68/45/27/493684527.db2.gz PDCLMQATJOGJAR-UONOGXRCSA-N 2 2 372.429 0.431 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000680012558 493705377 /nfs/dbraw/zinc/70/53/77/493705377.db2.gz SJFGUXUAJKNOBE-GOSISDBHSA-N 2 2 366.550 0.972 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000680012558 493705379 /nfs/dbraw/zinc/70/53/79/493705379.db2.gz SJFGUXUAJKNOBE-GOSISDBHSA-N 2 2 366.550 0.972 20 0 FCADLP COC[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671811510 493706535 /nfs/dbraw/zinc/70/65/35/493706535.db2.gz SJSUWWAYDSOYIE-GDBMZVCRSA-N 2 2 354.495 0.012 20 0 FCADLP COC[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671811510 493706536 /nfs/dbraw/zinc/70/65/36/493706536.db2.gz SJSUWWAYDSOYIE-GDBMZVCRSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671815655 493707109 /nfs/dbraw/zinc/70/71/09/493707109.db2.gz MHMCGYSYCSARAP-QGZVFWFLSA-N 2 2 356.470 0.684 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671815655 493707111 /nfs/dbraw/zinc/70/71/11/493707111.db2.gz MHMCGYSYCSARAP-QGZVFWFLSA-N 2 2 356.470 0.684 20 0 FCADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000665290662 493707914 /nfs/dbraw/zinc/70/79/14/493707914.db2.gz GKYUBXOTPSXBIJ-LLVKDONJSA-N 2 2 365.459 0.742 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000671845301 493708058 /nfs/dbraw/zinc/70/80/58/493708058.db2.gz MPJQVHPEGRDXCC-HNNXBMFYSA-N 2 2 363.462 0.226 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000671845301 493708061 /nfs/dbraw/zinc/70/80/61/493708061.db2.gz MPJQVHPEGRDXCC-HNNXBMFYSA-N 2 2 363.462 0.226 20 0 FCADLP CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368039 493712508 /nfs/dbraw/zinc/71/25/08/493712508.db2.gz BSDKBAZOADCTKE-LSDHHAIUSA-N 2 2 353.511 0.696 20 0 FCADLP CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368039 493712509 /nfs/dbraw/zinc/71/25/09/493712509.db2.gz BSDKBAZOADCTKE-LSDHHAIUSA-N 2 2 353.511 0.696 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665553022 493722571 /nfs/dbraw/zinc/72/25/71/493722571.db2.gz MDEDDJPAWHUQSK-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665553022 493722573 /nfs/dbraw/zinc/72/25/73/493722573.db2.gz MDEDDJPAWHUQSK-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672030293 493726048 /nfs/dbraw/zinc/72/60/48/493726048.db2.gz XDHSTHFEQIDKAG-YQQAZPJKSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672030293 493726050 /nfs/dbraw/zinc/72/60/50/493726050.db2.gz XDHSTHFEQIDKAG-YQQAZPJKSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672098326 493735474 /nfs/dbraw/zinc/73/54/74/493735474.db2.gz VONQYCCMZNKLNR-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672098326 493735476 /nfs/dbraw/zinc/73/54/76/493735476.db2.gz VONQYCCMZNKLNR-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000681217860 493751997 /nfs/dbraw/zinc/75/19/97/493751997.db2.gz IEIPSGYFGRRPHW-WBVHZDCISA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000681217860 493751999 /nfs/dbraw/zinc/75/19/99/493751999.db2.gz IEIPSGYFGRRPHW-WBVHZDCISA-N 2 2 365.522 0.806 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000672319592 493756018 /nfs/dbraw/zinc/75/60/18/493756018.db2.gz SBDXDGOWMVRYSI-MPGHIAIKSA-N 2 2 374.485 0.515 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000672319592 493756019 /nfs/dbraw/zinc/75/60/19/493756019.db2.gz SBDXDGOWMVRYSI-MPGHIAIKSA-N 2 2 374.485 0.515 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000672358573 493759439 /nfs/dbraw/zinc/75/94/39/493759439.db2.gz SLDKBXGIXDMVCG-AWEZNQCLSA-N 2 2 363.462 0.015 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000672358573 493759440 /nfs/dbraw/zinc/75/94/40/493759440.db2.gz SLDKBXGIXDMVCG-AWEZNQCLSA-N 2 2 363.462 0.015 20 0 FCADLP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000413316564 533938416 /nfs/dbraw/zinc/93/84/16/533938416.db2.gz PTZFWWKNEXVVCR-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000413316564 533938421 /nfs/dbraw/zinc/93/84/21/533938421.db2.gz PTZFWWKNEXVVCR-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000173785364 534224114 /nfs/dbraw/zinc/22/41/14/534224114.db2.gz GWJZKMCJJJCTMM-OKILXGFUSA-N 2 2 357.462 0.885 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000173785364 534224116 /nfs/dbraw/zinc/22/41/16/534224116.db2.gz GWJZKMCJJJCTMM-OKILXGFUSA-N 2 2 357.462 0.885 20 0 FCADLP Cc1ccn2cc(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)[nH+]c2c1 ZINC000264461146 534360310 /nfs/dbraw/zinc/36/03/10/534360310.db2.gz IXININOBGOMGBZ-HNNXBMFYSA-N 2 2 358.446 0.782 20 0 FCADLP Cc1ccn2cc(CNC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)[nH+]c2c1 ZINC000264461146 534360323 /nfs/dbraw/zinc/36/03/23/534360323.db2.gz IXININOBGOMGBZ-HNNXBMFYSA-N 2 2 358.446 0.782 20 0 FCADLP CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000442851401 534755690 /nfs/dbraw/zinc/75/56/90/534755690.db2.gz QYDBKANUBYDJLS-BEFAXECRSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000442851401 534755694 /nfs/dbraw/zinc/75/56/94/534755694.db2.gz QYDBKANUBYDJLS-BEFAXECRSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424523076 534909244 /nfs/dbraw/zinc/90/92/44/534909244.db2.gz NYRUIEXUPOIYPB-LBPRGKRZSA-N 2 2 357.405 0.516 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC[N@@H+]1C ZINC000410939229 527820858 /nfs/dbraw/zinc/82/08/58/527820858.db2.gz RUZSBAIJOZMYLB-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC[N@H+]1C ZINC000410939229 527820864 /nfs/dbraw/zinc/82/08/64/527820864.db2.gz RUZSBAIJOZMYLB-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC[NH+]1C ZINC000410939229 527820870 /nfs/dbraw/zinc/82/08/70/527820870.db2.gz RUZSBAIJOZMYLB-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC[NH+]1C ZINC000410939229 527820874 /nfs/dbraw/zinc/82/08/74/527820874.db2.gz RUZSBAIJOZMYLB-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410700806 527846029 /nfs/dbraw/zinc/84/60/29/527846029.db2.gz UCNDSARLHVIMOA-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410700806 527846034 /nfs/dbraw/zinc/84/60/34/527846034.db2.gz UCNDSARLHVIMOA-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@H]1C ZINC000410700408 527921488 /nfs/dbraw/zinc/92/14/88/527921488.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@H]1C ZINC000410700408 527921492 /nfs/dbraw/zinc/92/14/92/527921492.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1C ZINC000410700408 527921498 /nfs/dbraw/zinc/92/14/98/527921498.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@H]1C ZINC000410700408 527921502 /nfs/dbraw/zinc/92/15/02/527921502.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C ZINC000410700408 527921506 /nfs/dbraw/zinc/92/15/06/527921506.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C ZINC000410700408 527921512 /nfs/dbraw/zinc/92/15/12/527921512.db2.gz JUIJXKCHSSNAHH-IAGOWNOFSA-N 2 2 369.554 0.269 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000410715816 527956763 /nfs/dbraw/zinc/95/67/63/527956763.db2.gz QCAOJSJRTYWBCX-IYBDPMFKSA-N 2 2 354.495 0.107 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000410715816 527956769 /nfs/dbraw/zinc/95/67/69/527956769.db2.gz QCAOJSJRTYWBCX-IYBDPMFKSA-N 2 2 354.495 0.107 20 0 FCADLP CCO[C@@H]1C[C@](CO)(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000189563164 527970768 /nfs/dbraw/zinc/97/07/68/527970768.db2.gz DHIWLOYSQLURKP-VQIMIIECSA-N 2 2 370.538 0.878 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000410610218 527990688 /nfs/dbraw/zinc/99/06/88/527990688.db2.gz VEZXLBSYXDJZGP-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410912958 528065075 /nfs/dbraw/zinc/06/50/75/528065075.db2.gz VRBAYFWRNLFFIV-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000410603400 528248039 /nfs/dbraw/zinc/24/80/39/528248039.db2.gz BAZIRBLOPZDRNH-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CCCN1C[C@@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1=O ZINC000412226132 528267976 /nfs/dbraw/zinc/26/79/76/528267976.db2.gz HOWZAWMFJJRDHI-HOTGVXAUSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1=O ZINC000412226132 528267980 /nfs/dbraw/zinc/26/79/80/528267980.db2.gz HOWZAWMFJJRDHI-HOTGVXAUSA-N 2 2 350.507 0.872 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410785177 528731714 /nfs/dbraw/zinc/73/17/14/528731714.db2.gz SSKBSLGORHWOGU-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410785177 528731718 /nfs/dbraw/zinc/73/17/18/528731718.db2.gz SSKBSLGORHWOGU-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410958247 529116452 /nfs/dbraw/zinc/11/64/52/529116452.db2.gz WECUYYORSUREIY-OAHLLOKOSA-N 2 2 362.478 0.168 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@@H+]1CCOC ZINC000410527784 529263534 /nfs/dbraw/zinc/26/35/34/529263534.db2.gz KQUJZSKDNQVLCS-DLBZAZTESA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@H+]1CCOC ZINC000410527784 529263535 /nfs/dbraw/zinc/26/35/35/529263535.db2.gz KQUJZSKDNQVLCS-DLBZAZTESA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527784 529263536 /nfs/dbraw/zinc/26/35/36/529263536.db2.gz KQUJZSKDNQVLCS-DLBZAZTESA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527784 529263537 /nfs/dbraw/zinc/26/35/37/529263537.db2.gz KQUJZSKDNQVLCS-DLBZAZTESA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419972267 535066950 /nfs/dbraw/zinc/06/69/50/535066950.db2.gz HKQNIXLDVDRWEU-AHKGRUIUSA-N 2 2 358.486 0.944 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424487308 535074850 /nfs/dbraw/zinc/07/48/50/535074850.db2.gz ASRKKXPVILIBCY-CABCVRRESA-N 2 2 374.476 0.974 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424487308 535074856 /nfs/dbraw/zinc/07/48/56/535074856.db2.gz ASRKKXPVILIBCY-CABCVRRESA-N 2 2 374.476 0.974 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000435577442 535123199 /nfs/dbraw/zinc/12/31/99/535123199.db2.gz URMPBELAQNBZQJ-OAHLLOKOSA-N 2 2 352.483 0.642 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000435577442 535123206 /nfs/dbraw/zinc/12/32/06/535123206.db2.gz URMPBELAQNBZQJ-OAHLLOKOSA-N 2 2 352.483 0.642 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423336250 535209611 /nfs/dbraw/zinc/20/96/11/535209611.db2.gz UIUAPGADWOFGGZ-XHSDSOJGSA-N 2 2 356.511 0.386 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423336250 535209616 /nfs/dbraw/zinc/20/96/16/535209616.db2.gz UIUAPGADWOFGGZ-XHSDSOJGSA-N 2 2 356.511 0.386 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423998125 535269376 /nfs/dbraw/zinc/26/93/76/535269376.db2.gz AMUYYBPYPKJMCB-JKSUJKDBSA-N 2 2 350.467 0.401 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423998125 535269380 /nfs/dbraw/zinc/26/93/80/535269380.db2.gz AMUYYBPYPKJMCB-JKSUJKDBSA-N 2 2 350.467 0.401 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000415200150 535479390 /nfs/dbraw/zinc/47/93/90/535479390.db2.gz ZPRBXBLXZYPRCN-HNNXBMFYSA-N 2 2 362.474 0.914 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423558858 535602939 /nfs/dbraw/zinc/60/29/39/535602939.db2.gz LMURRUKZNLEGQF-HUUCEWRRSA-N 2 2 364.494 0.447 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423360948 535701966 /nfs/dbraw/zinc/70/19/66/535701966.db2.gz GHNWNWIUFRCANE-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000426251876 536006179 /nfs/dbraw/zinc/00/61/79/536006179.db2.gz LMORQTLHGYTHJP-UHFFFAOYSA-N 2 2 361.490 0.839 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000419156583 536369287 /nfs/dbraw/zinc/36/92/87/536369287.db2.gz SYBNBYUEYRQNGT-QGZVFWFLSA-N 2 2 369.469 0.952 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425406485 536373672 /nfs/dbraw/zinc/37/36/72/536373672.db2.gz SXMDQJRNVFODRS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425406485 536373674 /nfs/dbraw/zinc/37/36/74/536373674.db2.gz SXMDQJRNVFODRS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425406485 536373675 /nfs/dbraw/zinc/37/36/75/536373675.db2.gz SXMDQJRNVFODRS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425406485 536373677 /nfs/dbraw/zinc/37/36/77/536373677.db2.gz SXMDQJRNVFODRS-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000423900569 536453162 /nfs/dbraw/zinc/45/31/62/536453162.db2.gz ROTSWYPSGIVBHE-LSDHHAIUSA-N 2 2 363.462 0.517 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000423900569 536453165 /nfs/dbraw/zinc/45/31/65/536453165.db2.gz ROTSWYPSGIVBHE-LSDHHAIUSA-N 2 2 363.462 0.517 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000415199972 536469582 /nfs/dbraw/zinc/46/95/82/536469582.db2.gz ZALAANDSSVQRMW-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000415199972 536469584 /nfs/dbraw/zinc/46/95/84/536469584.db2.gz ZALAANDSSVQRMW-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592557789 546654431 /nfs/dbraw/zinc/65/44/31/546654431.db2.gz JBPPSKWKGOFQNP-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592789822 546666114 /nfs/dbraw/zinc/66/61/14/546666114.db2.gz BDFAQGCKCIWXDL-ZJPYXAASSA-N 2 2 354.539 0.872 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592789822 546666119 /nfs/dbraw/zinc/66/61/19/546666119.db2.gz BDFAQGCKCIWXDL-ZJPYXAASSA-N 2 2 354.539 0.872 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000245384898 546843657 /nfs/dbraw/zinc/84/36/57/546843657.db2.gz YTXQNCWLQKFVQW-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000245384898 546843661 /nfs/dbraw/zinc/84/36/61/546843661.db2.gz YTXQNCWLQKFVQW-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136760 546872624 /nfs/dbraw/zinc/87/26/24/546872624.db2.gz AUJJSBTXRHKPRC-CRAIPNDOSA-N 2 2 366.531 0.792 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136760 546872626 /nfs/dbraw/zinc/87/26/26/546872626.db2.gz AUJJSBTXRHKPRC-CRAIPNDOSA-N 2 2 366.531 0.792 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152479077 546918758 /nfs/dbraw/zinc/91/87/58/546918758.db2.gz WQZOUHGXNPNYIM-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152479077 546918761 /nfs/dbraw/zinc/91/87/61/546918761.db2.gz WQZOUHGXNPNYIM-DOTOQJQBSA-N 2 2 354.495 0.459 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000495426787 546995686 /nfs/dbraw/zinc/99/56/86/546995686.db2.gz HPMYYTBZYJYULI-KRWDZBQOSA-N 2 2 354.495 0.062 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000495426787 546995688 /nfs/dbraw/zinc/99/56/88/546995688.db2.gz HPMYYTBZYJYULI-KRWDZBQOSA-N 2 2 354.495 0.062 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000550392906 547085961 /nfs/dbraw/zinc/08/59/61/547085961.db2.gz HKOSKAIIIXROEX-XYPWUTKMSA-N 2 2 355.479 0.582 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000550392906 547085965 /nfs/dbraw/zinc/08/59/65/547085965.db2.gz HKOSKAIIIXROEX-XYPWUTKMSA-N 2 2 355.479 0.582 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000550392906 547085969 /nfs/dbraw/zinc/08/59/69/547085969.db2.gz HKOSKAIIIXROEX-XYPWUTKMSA-N 2 2 355.479 0.582 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000550392906 547085972 /nfs/dbraw/zinc/08/59/72/547085972.db2.gz HKOSKAIIIXROEX-XYPWUTKMSA-N 2 2 355.479 0.582 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000550648502 547092507 /nfs/dbraw/zinc/09/25/07/547092507.db2.gz YTKDLJQHFQDBOE-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663632 547095593 /nfs/dbraw/zinc/09/55/93/547095593.db2.gz MUPQJHWNPYNGPU-GOEBONIOSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663632 547095599 /nfs/dbraw/zinc/09/55/99/547095599.db2.gz MUPQJHWNPYNGPU-GOEBONIOSA-N 2 2 354.495 0.058 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000551039114 547121528 /nfs/dbraw/zinc/12/15/28/547121528.db2.gz LGFNEVCVPRSGIF-KRWDZBQOSA-N 3 2 357.568 0.749 20 0 FCADLP CCC[C@@H](C)C(=O)NCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000551223744 547136226 /nfs/dbraw/zinc/13/62/26/547136226.db2.gz WLSBEALAMVSGEU-QGZVFWFLSA-N 2 2 354.539 0.925 20 0 FCADLP CCC[C@@H](C)C(=O)NCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000551223744 547136231 /nfs/dbraw/zinc/13/62/31/547136231.db2.gz WLSBEALAMVSGEU-QGZVFWFLSA-N 2 2 354.539 0.925 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000551267582 547137475 /nfs/dbraw/zinc/13/74/75/547137475.db2.gz DMUNVVPTGXTRHN-HZPDHXFCSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624348 547156228 /nfs/dbraw/zinc/15/62/28/547156228.db2.gz OTHGUUUKQRFFAQ-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551624348 547156231 /nfs/dbraw/zinc/15/62/31/547156231.db2.gz OTHGUUUKQRFFAQ-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000552458872 547211341 /nfs/dbraw/zinc/21/13/41/547211341.db2.gz SBCZDUKSWYEXJB-MRXNPFEDSA-N 2 2 355.479 0.490 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000552458872 547211345 /nfs/dbraw/zinc/21/13/45/547211345.db2.gz SBCZDUKSWYEXJB-MRXNPFEDSA-N 2 2 355.479 0.490 20 0 FCADLP CSCCCN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552516680 547213929 /nfs/dbraw/zinc/21/39/29/547213929.db2.gz BOIJGDOMXZZQQR-UHFFFAOYSA-N 2 2 370.563 0.873 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553024998 547247899 /nfs/dbraw/zinc/24/78/99/547247899.db2.gz PHUZAPPHMDRBMY-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553024998 547247902 /nfs/dbraw/zinc/24/79/02/547247902.db2.gz PHUZAPPHMDRBMY-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)C1(CNC(=O)N(CCO)CC[NH+]2CCOCC2)CCCCC1 ZINC000489844397 547388455 /nfs/dbraw/zinc/38/84/55/547388455.db2.gz QQSSRIVXRPZRNG-UHFFFAOYSA-N 2 2 356.511 0.587 20 0 FCADLP c1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc(-c2nn[nH]n2)c1 ZINC000738411270 598842367 /nfs/dbraw/zinc/84/23/67/598842367.db2.gz UAKLEMDOQVEJJV-UHFFFAOYSA-N 2 2 371.489 0.753 20 0 FCADLP CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000956593823 674527227 /nfs/dbraw/zinc/52/72/27/674527227.db2.gz DBKREWNKEICFAA-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000956593823 674527228 /nfs/dbraw/zinc/52/72/28/674527228.db2.gz DBKREWNKEICFAA-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CCSC1 ZINC000821581815 606238318 /nfs/dbraw/zinc/23/83/18/606238318.db2.gz VFLBJEHBZLFBDE-XHDPSFHLSA-N 2 2 363.495 0.132 20 0 FCADLP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CCCNc1cccc[nH+]1)C2 ZINC000823787949 606338401 /nfs/dbraw/zinc/33/84/01/606338401.db2.gz RQADAPOFTWHIFX-GFCCVEGCSA-N 2 2 354.422 0.592 20 0 FCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)O1 ZINC000820758927 606849115 /nfs/dbraw/zinc/84/91/15/606849115.db2.gz GAIFYRNHRHWFHS-CKEIUWERSA-N 2 2 360.462 0.989 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625557 607104658 /nfs/dbraw/zinc/10/46/58/607104658.db2.gz QNZGHVPHJCGWPW-BZUAXINKSA-N 2 2 355.446 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625557 607104659 /nfs/dbraw/zinc/10/46/59/607104659.db2.gz QNZGHVPHJCGWPW-BZUAXINKSA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625557 607104660 /nfs/dbraw/zinc/10/46/60/607104660.db2.gz QNZGHVPHJCGWPW-BZUAXINKSA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625557 607104661 /nfs/dbraw/zinc/10/46/61/607104661.db2.gz QNZGHVPHJCGWPW-BZUAXINKSA-N 2 2 355.446 0.809 20 0 FCADLP Cn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825856163 609342974 /nfs/dbraw/zinc/34/29/74/609342974.db2.gz PXTKMRDSFLCRPJ-GOSISDBHSA-N 2 2 370.461 0.669 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897557597 665731208 /nfs/dbraw/zinc/73/12/08/665731208.db2.gz OUZMVKFIUPSVEF-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897557597 665731211 /nfs/dbraw/zinc/73/12/11/665731211.db2.gz OUZMVKFIUPSVEF-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP CCc1nocc1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958596 663210939 /nfs/dbraw/zinc/21/09/39/663210939.db2.gz LXZZUOKFSYEJFA-PBFPGSCMSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958596 663210941 /nfs/dbraw/zinc/21/09/41/663210941.db2.gz LXZZUOKFSYEJFA-PBFPGSCMSA-N 2 2 350.463 0.893 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnns2)O1 ZINC001021296844 663285985 /nfs/dbraw/zinc/28/59/85/663285985.db2.gz GJKPNUGCLODFDM-QAXSNASLSA-N 2 2 365.503 0.869 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2cnns2)O1 ZINC001021296844 663285986 /nfs/dbraw/zinc/28/59/86/663285986.db2.gz GJKPNUGCLODFDM-QAXSNASLSA-N 2 2 365.503 0.869 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnns2)O1 ZINC001021296844 663285988 /nfs/dbraw/zinc/28/59/88/663285988.db2.gz GJKPNUGCLODFDM-QAXSNASLSA-N 2 2 365.503 0.869 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnns2)O1 ZINC001021296844 663285991 /nfs/dbraw/zinc/28/59/91/663285991.db2.gz GJKPNUGCLODFDM-QAXSNASLSA-N 2 2 365.503 0.869 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001022103028 663405182 /nfs/dbraw/zinc/40/51/82/663405182.db2.gz DCKNPPHTJBJTRJ-YIYPIFLZSA-N 2 2 351.451 0.336 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001022103028 663405183 /nfs/dbraw/zinc/40/51/83/663405183.db2.gz DCKNPPHTJBJTRJ-YIYPIFLZSA-N 2 2 351.451 0.336 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCO1 ZINC000891472641 663408248 /nfs/dbraw/zinc/40/82/48/663408248.db2.gz OFBMQNPMDPATIN-NEPJUHHUSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCO1 ZINC000891472641 663408250 /nfs/dbraw/zinc/40/82/50/663408250.db2.gz OFBMQNPMDPATIN-NEPJUHHUSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCO1 ZINC000891472642 663408292 /nfs/dbraw/zinc/40/82/92/663408292.db2.gz OFBMQNPMDPATIN-NWDGAFQWSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCO1 ZINC000891472642 663408294 /nfs/dbraw/zinc/40/82/94/663408294.db2.gz OFBMQNPMDPATIN-NWDGAFQWSA-N 2 2 352.401 0.876 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891537913 663412832 /nfs/dbraw/zinc/41/28/32/663412832.db2.gz NPBDDSPFFMWZAP-CABCVRRESA-N 2 2 358.508 0.031 20 0 FCADLP CC1(C)CC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[NH2+]C1 ZINC000891538360 663413068 /nfs/dbraw/zinc/41/30/68/663413068.db2.gz VSUVQNLUXJTZQP-OAHLLOKOSA-N 2 2 374.551 0.573 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022230124 663422462 /nfs/dbraw/zinc/42/24/62/663422462.db2.gz QAQKROBAOODFGF-UXXRCYHCSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022230124 663422463 /nfs/dbraw/zinc/42/24/63/663422463.db2.gz QAQKROBAOODFGF-UXXRCYHCSA-N 2 2 366.487 0.575 20 0 FCADLP COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC000971782313 663428364 /nfs/dbraw/zinc/42/83/64/663428364.db2.gz SPRKFSUUKIUMRW-UMVBOHGHSA-N 2 2 352.435 0.435 20 0 FCADLP COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC000971782313 663428365 /nfs/dbraw/zinc/42/83/65/663428365.db2.gz SPRKFSUUKIUMRW-UMVBOHGHSA-N 2 2 352.435 0.435 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC000971782313 663428367 /nfs/dbraw/zinc/42/83/67/663428367.db2.gz SPRKFSUUKIUMRW-UMVBOHGHSA-N 2 2 352.435 0.435 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC000971782313 663428368 /nfs/dbraw/zinc/42/83/68/663428368.db2.gz SPRKFSUUKIUMRW-UMVBOHGHSA-N 2 2 352.435 0.435 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000934307334 663488776 /nfs/dbraw/zinc/48/87/76/663488776.db2.gz FYRQQCPFNPZKFN-HOTGVXAUSA-N 2 2 359.536 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000934307334 663488778 /nfs/dbraw/zinc/48/87/78/663488778.db2.gz FYRQQCPFNPZKFN-HOTGVXAUSA-N 2 2 359.536 0.827 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000899991165 665971286 /nfs/dbraw/zinc/97/12/86/665971286.db2.gz BLTAAXYHXWYPLW-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000899991165 665971287 /nfs/dbraw/zinc/97/12/87/665971287.db2.gz BLTAAXYHXWYPLW-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023507747 663636612 /nfs/dbraw/zinc/63/66/12/663636612.db2.gz YCZVDQFRNLHLBX-BBWFWOEESA-N 2 2 357.470 0.664 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001023507747 663636614 /nfs/dbraw/zinc/63/66/14/663636614.db2.gz YCZVDQFRNLHLBX-BBWFWOEESA-N 2 2 357.470 0.664 20 0 FCADLP O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000904360705 665987570 /nfs/dbraw/zinc/98/75/70/665987570.db2.gz OMSSPZZRFNOMFJ-HNNXBMFYSA-N 2 2 350.467 0.869 20 0 FCADLP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[C@]2(C)C1 ZINC000892930356 664155735 /nfs/dbraw/zinc/15/57/35/664155735.db2.gz UKMIHGKXXVLYOK-PBHICJAKSA-N 2 2 372.535 0.089 20 0 FCADLP C[N@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C[C@]2(C)C1 ZINC000892930356 664155738 /nfs/dbraw/zinc/15/57/38/664155738.db2.gz UKMIHGKXXVLYOK-PBHICJAKSA-N 2 2 372.535 0.089 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H]3C3OCCO3)C2)CC1 ZINC000893025113 664200005 /nfs/dbraw/zinc/20/00/05/664200005.db2.gz XZWLUQHVAMJUCJ-ZBFHGGJFSA-N 2 2 352.479 0.702 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H]3C3OCCO3)C2)CC1 ZINC000893025113 664200007 /nfs/dbraw/zinc/20/00/07/664200007.db2.gz XZWLUQHVAMJUCJ-ZBFHGGJFSA-N 2 2 352.479 0.702 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919070 664201351 /nfs/dbraw/zinc/20/13/51/664201351.db2.gz HYTCLAFQHUZUTD-VQSMVITJSA-N 2 2 369.893 0.665 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919070 664201353 /nfs/dbraw/zinc/20/13/53/664201353.db2.gz HYTCLAFQHUZUTD-VQSMVITJSA-N 2 2 369.893 0.665 20 0 FCADLP C[NH+]1CCC(CNC(=O)N[C@@]2(C)CCNC2=O)([NH+]2CCCCC2)CC1 ZINC000893268195 664224699 /nfs/dbraw/zinc/22/46/99/664224699.db2.gz SKRCESPVFNQKSK-KRWDZBQOSA-N 2 2 351.495 0.515 20 0 FCADLP Cc1nonc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960042284 674614160 /nfs/dbraw/zinc/61/41/60/674614160.db2.gz FSLUKAJIYGOZJO-IVMMDQJWSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960042284 674614164 /nfs/dbraw/zinc/61/41/64/674614164.db2.gz FSLUKAJIYGOZJO-IVMMDQJWSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nnsc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027463537 664411675 /nfs/dbraw/zinc/41/16/75/664411675.db2.gz CSNLQDDSVYHRJQ-VHDGCEQUSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027463537 664411678 /nfs/dbraw/zinc/41/16/78/664411678.db2.gz CSNLQDDSVYHRJQ-VHDGCEQUSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463537 664411681 /nfs/dbraw/zinc/41/16/81/664411681.db2.gz CSNLQDDSVYHRJQ-VHDGCEQUSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463537 664411683 /nfs/dbraw/zinc/41/16/83/664411683.db2.gz CSNLQDDSVYHRJQ-VHDGCEQUSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629667 664931319 /nfs/dbraw/zinc/93/13/19/664931319.db2.gz QAKRHHSQNZRUCA-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629667 664931320 /nfs/dbraw/zinc/93/13/20/664931320.db2.gz QAKRHHSQNZRUCA-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629667 664931323 /nfs/dbraw/zinc/93/13/23/664931323.db2.gz QAKRHHSQNZRUCA-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001028629667 664931324 /nfs/dbraw/zinc/93/13/24/664931324.db2.gz QAKRHHSQNZRUCA-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP C[C@H]([NH2+]Cc1csnn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111202 664986276 /nfs/dbraw/zinc/98/62/76/664986276.db2.gz CYLHTHROKZJXNE-DVOMOZLQSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@H]([NH2+]Cc1csnn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111202 664986277 /nfs/dbraw/zinc/98/62/77/664986277.db2.gz CYLHTHROKZJXNE-DVOMOZLQSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001029313832 665014019 /nfs/dbraw/zinc/01/40/19/665014019.db2.gz OJIGLHIWQMUDIG-OVYGPGRDSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1C ZINC001029313832 665014021 /nfs/dbraw/zinc/01/40/21/665014021.db2.gz OJIGLHIWQMUDIG-OVYGPGRDSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001029313832 665014025 /nfs/dbraw/zinc/01/40/25/665014025.db2.gz OJIGLHIWQMUDIG-OVYGPGRDSA-N 2 2 369.531 0.437 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCS(=O)(=O)C2)CC[NH+]1C ZINC001029313832 665014028 /nfs/dbraw/zinc/01/40/28/665014028.db2.gz OJIGLHIWQMUDIG-OVYGPGRDSA-N 2 2 369.531 0.437 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000895688125 665055231 /nfs/dbraw/zinc/05/52/31/665055231.db2.gz IWWZQGPBZHDPHV-HNNXBMFYSA-N 2 2 351.447 0.952 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC000960528906 674678172 /nfs/dbraw/zinc/67/81/72/674678172.db2.gz SBGFXGPHKBRILI-JZYAIQKZSA-N 2 2 367.881 0.302 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC000960528906 674678175 /nfs/dbraw/zinc/67/81/75/674678175.db2.gz SBGFXGPHKBRILI-JZYAIQKZSA-N 2 2 367.881 0.302 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC000960528906 674678176 /nfs/dbraw/zinc/67/81/76/674678176.db2.gz SBGFXGPHKBRILI-JZYAIQKZSA-N 2 2 367.881 0.302 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC000960528906 674678179 /nfs/dbraw/zinc/67/81/79/674678179.db2.gz SBGFXGPHKBRILI-JZYAIQKZSA-N 2 2 367.881 0.302 20 0 FCADLP Cc1csc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC000960527883 674678269 /nfs/dbraw/zinc/67/82/69/674678269.db2.gz PWCRHZGONGGQPF-SSZWKKLZSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1csc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC000960527883 674678272 /nfs/dbraw/zinc/67/82/72/674678272.db2.gz PWCRHZGONGGQPF-SSZWKKLZSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1csc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC000960527883 674678275 /nfs/dbraw/zinc/67/82/75/674678275.db2.gz PWCRHZGONGGQPF-SSZWKKLZSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1csc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC000960527883 674678278 /nfs/dbraw/zinc/67/82/78/674678278.db2.gz PWCRHZGONGGQPF-SSZWKKLZSA-N 2 2 350.488 0.717 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896540961 665092484 /nfs/dbraw/zinc/09/24/84/665092484.db2.gz HDRRZFQFTPRXQD-BHYGNILZSA-N 2 2 354.564 0.954 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896540961 665092486 /nfs/dbraw/zinc/09/24/86/665092486.db2.gz HDRRZFQFTPRXQD-BHYGNILZSA-N 2 2 354.564 0.954 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896540970 665092625 /nfs/dbraw/zinc/09/26/25/665092625.db2.gz HDRRZFQFTPRXQD-XIRDDKMYSA-N 2 2 354.564 0.954 20 0 FCADLP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896540970 665092629 /nfs/dbraw/zinc/09/26/29/665092629.db2.gz HDRRZFQFTPRXQD-XIRDDKMYSA-N 2 2 354.564 0.954 20 0 FCADLP Cc1noc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491178 665170975 /nfs/dbraw/zinc/17/09/75/665170975.db2.gz CUEOLXOWAOFVEG-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1noc(C[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491178 665170977 /nfs/dbraw/zinc/17/09/77/665170977.db2.gz CUEOLXOWAOFVEG-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1noc(C[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491178 665170979 /nfs/dbraw/zinc/17/09/79/665170979.db2.gz CUEOLXOWAOFVEG-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1noc(C[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000985491178 665170981 /nfs/dbraw/zinc/17/09/81/665170981.db2.gz CUEOLXOWAOFVEG-IUODEOHRSA-N 2 2 351.451 0.520 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766515 665171466 /nfs/dbraw/zinc/17/14/66/665171466.db2.gz CMQRGEXBMUHJRV-IVMMDQJWSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766515 665171467 /nfs/dbraw/zinc/17/14/67/665171467.db2.gz CMQRGEXBMUHJRV-IVMMDQJWSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nonc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766515 665171468 /nfs/dbraw/zinc/17/14/68/665171468.db2.gz CMQRGEXBMUHJRV-IVMMDQJWSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nonc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766515 665171470 /nfs/dbraw/zinc/17/14/70/665171470.db2.gz CMQRGEXBMUHJRV-IVMMDQJWSA-N 2 2 351.451 0.377 20 0 FCADLP COc1cc(OC)nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000906678177 666062167 /nfs/dbraw/zinc/06/21/67/666062167.db2.gz RMUWUVOLGZOAFG-UHFFFAOYSA-N 2 2 351.451 0.592 20 0 FCADLP COc1cc(OC)nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000906678177 666062171 /nfs/dbraw/zinc/06/21/71/666062171.db2.gz RMUWUVOLGZOAFG-UHFFFAOYSA-N 2 2 351.451 0.592 20 0 FCADLP CS[C@@H]1CN(C(=O)c2cccn2CC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000907147215 666104056 /nfs/dbraw/zinc/10/40/56/666104056.db2.gz SFHYVIPQDRDRST-DLBZAZTESA-N 2 2 366.531 0.938 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000907589663 666145645 /nfs/dbraw/zinc/14/56/45/666145645.db2.gz UXRRSDWMJKWJKG-KRWDZBQOSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000907589663 666145648 /nfs/dbraw/zinc/14/56/48/666145648.db2.gz UXRRSDWMJKWJKG-KRWDZBQOSA-N 2 2 354.539 0.706 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000908527426 666210471 /nfs/dbraw/zinc/21/04/71/666210471.db2.gz UIECKUJALUFHBK-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000908527426 666210473 /nfs/dbraw/zinc/21/04/73/666210473.db2.gz UIECKUJALUFHBK-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000908527426 666210475 /nfs/dbraw/zinc/21/04/75/666210475.db2.gz UIECKUJALUFHBK-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000908527426 666210477 /nfs/dbraw/zinc/21/04/77/666210477.db2.gz UIECKUJALUFHBK-JKSUJKDBSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000909030237 666223855 /nfs/dbraw/zinc/22/38/55/666223855.db2.gz CRVSYPPTUNQXQS-XHSDSOJGSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000909030237 666223859 /nfs/dbraw/zinc/22/38/59/666223859.db2.gz CRVSYPPTUNQXQS-XHSDSOJGSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000909030237 666223861 /nfs/dbraw/zinc/22/38/61/666223861.db2.gz CRVSYPPTUNQXQS-XHSDSOJGSA-N 2 2 355.479 0.175 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911000920 666304428 /nfs/dbraw/zinc/30/44/28/666304428.db2.gz DWNDVEJAOBCDRZ-OAHLLOKOSA-N 2 2 364.515 0.871 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911000920 666304430 /nfs/dbraw/zinc/30/44/30/666304430.db2.gz DWNDVEJAOBCDRZ-OAHLLOKOSA-N 2 2 364.515 0.871 20 0 FCADLP CC1CC[NH+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069074801 666496072 /nfs/dbraw/zinc/49/60/72/666496072.db2.gz AXCOALAYLHVGCD-UHFFFAOYSA-N 2 2 374.551 0.527 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069074832 666496151 /nfs/dbraw/zinc/49/61/51/666496151.db2.gz HZIBZRMQYJDAJF-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069074832 666496152 /nfs/dbraw/zinc/49/61/52/666496152.db2.gz HZIBZRMQYJDAJF-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP O=C1C[C@@]2(CCSC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069375366 666507315 /nfs/dbraw/zinc/50/73/15/666507315.db2.gz CFWAOKDSSMAWAN-GOSISDBHSA-N 2 2 367.515 0.870 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCCC1 ZINC000172802961 666603241 /nfs/dbraw/zinc/60/32/41/666603241.db2.gz VZWNWLXRNPYXCR-OAHLLOKOSA-N 2 2 359.536 0.876 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000173901011 666607196 /nfs/dbraw/zinc/60/71/96/666607196.db2.gz QPMGBSQDQWRVGL-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000173901011 666607198 /nfs/dbraw/zinc/60/71/98/666607198.db2.gz QPMGBSQDQWRVGL-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000173901011 666607199 /nfs/dbraw/zinc/60/71/99/666607199.db2.gz QPMGBSQDQWRVGL-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000173901011 666607201 /nfs/dbraw/zinc/60/72/01/666607201.db2.gz QPMGBSQDQWRVGL-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913988881 666678612 /nfs/dbraw/zinc/67/86/12/666678612.db2.gz QIHWBVMQQMZPKW-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913988881 666678613 /nfs/dbraw/zinc/67/86/13/666678613.db2.gz QIHWBVMQQMZPKW-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)s1 ZINC000995960570 666897110 /nfs/dbraw/zinc/89/71/10/666897110.db2.gz UQJBPOZCZNHYAN-MRVWCRGKSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)s1 ZINC000995960570 666897112 /nfs/dbraw/zinc/89/71/12/666897112.db2.gz UQJBPOZCZNHYAN-MRVWCRGKSA-N 2 2 367.519 0.892 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)O1 ZINC000995957785 666897208 /nfs/dbraw/zinc/89/72/08/666897208.db2.gz LPEJSNCIFOJMHI-BNOWGMLFSA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)O1 ZINC000995957785 666897210 /nfs/dbraw/zinc/89/72/10/666897210.db2.gz LPEJSNCIFOJMHI-BNOWGMLFSA-N 2 2 353.492 0.584 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287388 666905362 /nfs/dbraw/zinc/90/53/62/666905362.db2.gz ZOCKHBWULAXGIC-ZBFHGGJFSA-N 2 2 352.479 0.750 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287388 666905363 /nfs/dbraw/zinc/90/53/63/666905363.db2.gz ZOCKHBWULAXGIC-ZBFHGGJFSA-N 2 2 352.479 0.750 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000734277528 666958993 /nfs/dbraw/zinc/95/89/93/666958993.db2.gz WUGJFSMVHVDHCW-CQSZACIVSA-N 2 2 358.508 0.031 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000734277528 666958997 /nfs/dbraw/zinc/95/89/97/666958997.db2.gz WUGJFSMVHVDHCW-CQSZACIVSA-N 2 2 358.508 0.031 20 0 FCADLP COC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734284073 666961411 /nfs/dbraw/zinc/96/14/11/666961411.db2.gz PWALGINISHBZIU-CQSZACIVSA-N 2 2 353.467 0.249 20 0 FCADLP COC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000734284073 666961414 /nfs/dbraw/zinc/96/14/14/666961414.db2.gz PWALGINISHBZIU-CQSZACIVSA-N 2 2 353.467 0.249 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000916002630 666986113 /nfs/dbraw/zinc/98/61/13/666986113.db2.gz IMHDVPRUSGLZCK-MRXNPFEDSA-N 2 2 357.568 0.199 20 0 FCADLP CCOC(=O)[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905984 667140542 /nfs/dbraw/zinc/14/05/42/667140542.db2.gz KLHGZDIMZNLDDJ-GJZGRUSLSA-N 2 2 352.479 0.750 20 0 FCADLP CCOC(=O)[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905984 667140545 /nfs/dbraw/zinc/14/05/45/667140545.db2.gz KLHGZDIMZNLDDJ-GJZGRUSLSA-N 2 2 352.479 0.750 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032532998 667171278 /nfs/dbraw/zinc/17/12/78/667171278.db2.gz PWSXFSLFLGAWOK-NXOAAHMSSA-N 2 2 355.454 0.511 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032532998 667171280 /nfs/dbraw/zinc/17/12/80/667171280.db2.gz PWSXFSLFLGAWOK-NXOAAHMSSA-N 2 2 355.454 0.511 20 0 FCADLP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997856208 667178003 /nfs/dbraw/zinc/17/80/03/667178003.db2.gz ROLAGFRPHGLDSR-MLGOLLRUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997856208 667178006 /nfs/dbraw/zinc/17/80/06/667178006.db2.gz ROLAGFRPHGLDSR-MLGOLLRUSA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000920453374 667241050 /nfs/dbraw/zinc/24/10/50/667241050.db2.gz ZGAJSFIBHSUQED-SJORKVTESA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)CC[N@@H+]1C ZINC001031684297 667266973 /nfs/dbraw/zinc/26/69/73/667266973.db2.gz JSOCSOXZKPINSP-DLBZAZTESA-N 2 2 350.507 0.824 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)CC[N@H+]1C ZINC001031684297 667266977 /nfs/dbraw/zinc/26/69/77/667266977.db2.gz JSOCSOXZKPINSP-DLBZAZTESA-N 2 2 350.507 0.824 20 0 FCADLP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921201456 667270998 /nfs/dbraw/zinc/27/09/98/667270998.db2.gz FCJWMABAGSZAJX-VBQJREDUSA-N 2 2 354.495 0.186 20 0 FCADLP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921201456 667271001 /nfs/dbraw/zinc/27/10/01/667271001.db2.gz FCJWMABAGSZAJX-VBQJREDUSA-N 2 2 354.495 0.186 20 0 FCADLP CCOC1CC(CNC(=O)NCC2([NH+](C)C)CC2)([NH+]2CCOCC2)C1 ZINC000922212383 667618818 /nfs/dbraw/zinc/61/88/18/667618818.db2.gz FMSSWAPBBXMJPC-UHFFFAOYSA-N 2 2 354.495 0.650 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184243 667713008 /nfs/dbraw/zinc/71/30/08/667713008.db2.gz HMBSMSRSRUXWKV-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184243 667713011 /nfs/dbraw/zinc/71/30/11/667713011.db2.gz HMBSMSRSRUXWKV-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184243 667713014 /nfs/dbraw/zinc/71/30/14/667713014.db2.gz HMBSMSRSRUXWKV-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)sn1 ZINC001033184243 667713018 /nfs/dbraw/zinc/71/30/18/667713018.db2.gz HMBSMSRSRUXWKV-UMVBOHGHSA-N 2 2 368.503 0.904 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005581242 667763293 /nfs/dbraw/zinc/76/32/93/667763293.db2.gz JUIRXOZTVDVECA-IIAWOOMASA-N 2 2 354.495 0.105 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005581242 667763295 /nfs/dbraw/zinc/76/32/95/667763295.db2.gz JUIRXOZTVDVECA-IIAWOOMASA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCc3cccs3)CCO2)O1 ZINC001035424880 667780013 /nfs/dbraw/zinc/78/00/13/667780013.db2.gz SQFZDMMVPHYWQG-BFYDXBDKSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCc3cccs3)CCO2)O1 ZINC001035424880 667780015 /nfs/dbraw/zinc/78/00/15/667780015.db2.gz SQFZDMMVPHYWQG-BFYDXBDKSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCc3cccs3)CCO2)O1 ZINC001035424880 667780019 /nfs/dbraw/zinc/78/00/19/667780019.db2.gz SQFZDMMVPHYWQG-BFYDXBDKSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCc3cccs3)CCO2)O1 ZINC001035424880 667780022 /nfs/dbraw/zinc/78/00/22/667780022.db2.gz SQFZDMMVPHYWQG-BFYDXBDKSA-N 2 2 367.515 0.827 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000074165499 667809214 /nfs/dbraw/zinc/80/92/14/667809214.db2.gz SIXBWYUNZVMEGH-OAHLLOKOSA-N 2 2 360.524 0.279 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000074165499 667809217 /nfs/dbraw/zinc/80/92/17/667809217.db2.gz SIXBWYUNZVMEGH-OAHLLOKOSA-N 2 2 360.524 0.279 20 0 FCADLP Cc1cc(N2CCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000923582012 667851959 /nfs/dbraw/zinc/85/19/59/667851959.db2.gz JGCGJILQDYMICU-UHFFFAOYSA-N 2 2 368.507 0.180 20 0 FCADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217859 668294506 /nfs/dbraw/zinc/29/45/06/668294506.db2.gz FHXKUQAPSUOLHQ-HUUCEWRRSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217859 668294510 /nfs/dbraw/zinc/29/45/10/668294510.db2.gz FHXKUQAPSUOLHQ-HUUCEWRRSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000782405081 668560053 /nfs/dbraw/zinc/56/00/53/668560053.db2.gz JSAZKUQLBHNZQC-INIZCTEOSA-N 2 2 370.563 0.768 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)CCO1 ZINC000787136190 668788946 /nfs/dbraw/zinc/78/89/46/668788946.db2.gz ATYIBEAMRHYTLP-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)CCO1 ZINC000787136190 668788948 /nfs/dbraw/zinc/78/89/48/668788948.db2.gz ATYIBEAMRHYTLP-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCO1 ZINC000787136190 668788950 /nfs/dbraw/zinc/78/89/50/668788950.db2.gz ATYIBEAMRHYTLP-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCO1 ZINC000787136190 668788952 /nfs/dbraw/zinc/78/89/52/668788952.db2.gz ATYIBEAMRHYTLP-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361968 668875337 /nfs/dbraw/zinc/87/53/37/668875337.db2.gz IANOWEGQBHOSCI-KDOFPFPSSA-N 2 2 350.463 0.838 20 0 FCADLP NC(=O)CC[C@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361968 668875339 /nfs/dbraw/zinc/87/53/39/668875339.db2.gz IANOWEGQBHOSCI-KDOFPFPSSA-N 2 2 350.463 0.838 20 0 FCADLP O=C1NC2(CO1)CC[NH+](CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790382608 668875929 /nfs/dbraw/zinc/87/59/29/668875929.db2.gz GLAJHLAAXFSQGE-KRWDZBQOSA-N 2 2 350.419 0.435 20 0 FCADLP CCS(=O)(=O)CC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000819017397 668970450 /nfs/dbraw/zinc/97/04/50/668970450.db2.gz IIXBCUXAJPRHQW-UHFFFAOYSA-N 2 2 355.508 0.403 20 0 FCADLP COC(=O)N(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000822785074 669294726 /nfs/dbraw/zinc/29/47/26/669294726.db2.gz UTUGCYQARSCAAP-HNNXBMFYSA-N 2 2 355.483 0.495 20 0 FCADLP COC(=O)N(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000822785074 669294729 /nfs/dbraw/zinc/29/47/29/669294729.db2.gz UTUGCYQARSCAAP-HNNXBMFYSA-N 2 2 355.483 0.495 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000807055880 669464579 /nfs/dbraw/zinc/46/45/79/669464579.db2.gz SUIBBMBCWRKWOP-CQSZACIVSA-N 2 2 358.552 0.729 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000807055880 669464581 /nfs/dbraw/zinc/46/45/81/669464581.db2.gz SUIBBMBCWRKWOP-CQSZACIVSA-N 2 2 358.552 0.729 20 0 FCADLP COC(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000827413512 669565669 /nfs/dbraw/zinc/56/56/69/669565669.db2.gz HXXUBUCQQMTQRT-OAHLLOKOSA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000827413512 669565674 /nfs/dbraw/zinc/56/56/74/669565674.db2.gz HXXUBUCQQMTQRT-OAHLLOKOSA-N 2 2 352.479 0.750 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121457061 670057210 /nfs/dbraw/zinc/05/72/10/670057210.db2.gz CJYZOYMRVFPLQR-HNNXBMFYSA-N 2 2 354.495 0.996 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000121457061 670057213 /nfs/dbraw/zinc/05/72/13/670057213.db2.gz CJYZOYMRVFPLQR-HNNXBMFYSA-N 2 2 354.495 0.996 20 0 FCADLP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C2=O ZINC000818340973 670097671 /nfs/dbraw/zinc/09/76/71/670097671.db2.gz TYRJKHNZDADNFM-SBUZTJRASA-N 2 2 351.451 0.378 20 0 FCADLP CC[C@H](C)NC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000849010911 671316097 /nfs/dbraw/zinc/31/60/97/671316097.db2.gz UERGKVAMDOKKNJ-AWEZNQCLSA-N 2 2 368.507 0.446 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)O1 ZINC001048891632 675906362 /nfs/dbraw/zinc/90/63/62/675906362.db2.gz SNMNVFDKFIRZRR-APIJFGDWSA-N 2 2 350.488 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)O1 ZINC001048891632 675906363 /nfs/dbraw/zinc/90/63/63/675906363.db2.gz SNMNVFDKFIRZRR-APIJFGDWSA-N 2 2 350.488 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)O1 ZINC001048891632 675906366 /nfs/dbraw/zinc/90/63/66/675906366.db2.gz SNMNVFDKFIRZRR-APIJFGDWSA-N 2 2 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/nfs/dbraw/zinc/01/38/17/674013817.db2.gz CVSMQYPFLABHDG-HUUCEWRRSA-N 2 2 352.866 0.879 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000930335929 674013820 /nfs/dbraw/zinc/01/38/20/674013820.db2.gz CVSMQYPFLABHDG-HUUCEWRRSA-N 2 2 352.866 0.879 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000900614559 675700156 /nfs/dbraw/zinc/70/01/56/675700156.db2.gz POWLTZXCBMVDGA-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000900614559 675700159 /nfs/dbraw/zinc/70/01/59/675700159.db2.gz POWLTZXCBMVDGA-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](CC2CC2)C1 ZINC001046506326 675721872 /nfs/dbraw/zinc/72/18/72/675721872.db2.gz RAYLSEGMIDQVBB-AOIWGVFYSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](CC2CC2)C1 ZINC001046506326 675721873 /nfs/dbraw/zinc/72/18/73/675721873.db2.gz RAYLSEGMIDQVBB-AOIWGVFYSA-N 2 2 351.491 0.857 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000901227932 675773322 /nfs/dbraw/zinc/77/33/22/675773322.db2.gz JOAHWFOICUCDMT-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000901227932 675773324 /nfs/dbraw/zinc/77/33/24/675773324.db2.gz JOAHWFOICUCDMT-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CC(C)(CO)[NH+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000901229870 675773643 /nfs/dbraw/zinc/77/36/43/675773643.db2.gz WATJQCBMKMVACJ-UHFFFAOYSA-N 2 2 353.507 0.793 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccns3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386182 675796070 /nfs/dbraw/zinc/79/60/70/675796070.db2.gz NREJZKMUGZJHNO-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccns3)C[C@@H]2O)CC[N@H+]1C ZINC001047386182 675796073 /nfs/dbraw/zinc/79/60/73/675796073.db2.gz NREJZKMUGZJHNO-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001047386182 675796075 /nfs/dbraw/zinc/79/60/75/675796075.db2.gz NREJZKMUGZJHNO-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccns3)C[C@@H]2O)CC[NH+]1C ZINC001047386182 675796077 /nfs/dbraw/zinc/79/60/77/675796077.db2.gz NREJZKMUGZJHNO-FZKCQIBNSA-N 2 2 352.504 0.877 20 0 FCADLP COc1c[nH]c(CO)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1=O ZINC000902352716 675848084 /nfs/dbraw/zinc/84/80/84/675848084.db2.gz SAVHJZFENCATOO-UHFFFAOYSA-N 2 2 350.463 0.088 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C)CC[N@@H+]1C ZINC001020470724 1167888635 /nfs/dbraw/zinc/88/86/35/1167888635.db2.gz QTUSPNSQSUSVDJ-QXSJWSMHSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C)CC[N@H+]1C ZINC001020470724 1167888638 /nfs/dbraw/zinc/88/86/38/1167888638.db2.gz QTUSPNSQSUSVDJ-QXSJWSMHSA-N 2 2 361.490 0.799 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001020603567 1168148010 /nfs/dbraw/zinc/14/80/10/1168148010.db2.gz HHEPAQBWNGXIEK-KLHDSHLOSA-N 2 2 357.462 0.669 20 0 FCADLP COCC[N@@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC001625815200 1168150699 /nfs/dbraw/zinc/15/06/99/1168150699.db2.gz WAPMOMLZLNSIHS-UHFFFAOYSA-N 2 2 360.462 0.829 20 0 FCADLP COCC[N@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC001625815200 1168150703 /nfs/dbraw/zinc/15/07/03/1168150703.db2.gz WAPMOMLZLNSIHS-UHFFFAOYSA-N 2 2 360.462 0.829 20 0 FCADLP Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001125327656 1168446396 /nfs/dbraw/zinc/44/63/96/1168446396.db2.gz WYAQZJBAXRLJRY-VNQPRFMTSA-N 2 2 365.478 0.068 20 0 FCADLP Cc1cc(N(C)C[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001125327656 1168446399 /nfs/dbraw/zinc/44/63/99/1168446399.db2.gz WYAQZJBAXRLJRY-VNQPRFMTSA-N 2 2 365.478 0.068 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112486548 1169097230 /nfs/dbraw/zinc/09/72/30/1169097230.db2.gz YTLHGMXFVCGSGM-LPHOPBHVSA-N 2 2 364.490 0.580 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001021385176 1169191245 /nfs/dbraw/zinc/19/12/45/1169191245.db2.gz QARGYQFWDHVANZ-SLUKUZTOSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001021385176 1169191257 /nfs/dbraw/zinc/19/12/57/1169191257.db2.gz QARGYQFWDHVANZ-SLUKUZTOSA-N 2 2 371.485 0.868 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970958147 1169845528 /nfs/dbraw/zinc/84/55/28/1169845528.db2.gz NHGPLQZGFMEZBZ-SJORKVTESA-N 2 2 371.441 0.016 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104311231 1169885026 /nfs/dbraw/zinc/88/50/26/1169885026.db2.gz YDYNXJMGKNRLKS-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104311231 1169885028 /nfs/dbraw/zinc/88/50/28/1169885028.db2.gz YDYNXJMGKNRLKS-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104311230 1169885191 /nfs/dbraw/zinc/88/51/91/1169885191.db2.gz YDYNXJMGKNRLKS-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104311230 1169885195 /nfs/dbraw/zinc/88/51/95/1169885195.db2.gz YDYNXJMGKNRLKS-BZUAXINKSA-N 2 2 363.510 0.659 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]21 ZINC001021708684 1169907799 /nfs/dbraw/zinc/90/77/99/1169907799.db2.gz HUSPTRQYABXJKI-LZLYRXPVSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751776 1169978691 /nfs/dbraw/zinc/97/86/91/1169978691.db2.gz KXJWLAMGDMILQE-USXIJHARSA-N 2 2 357.458 0.353 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141300 1170008101 /nfs/dbraw/zinc/00/81/01/1170008101.db2.gz ICPBEERXEVPTBZ-VYDXJSESSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141300 1170008105 /nfs/dbraw/zinc/00/81/05/1170008105.db2.gz ICPBEERXEVPTBZ-VYDXJSESSA-N 2 2 364.494 0.345 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001087141718 1170009624 /nfs/dbraw/zinc/00/96/24/1170009624.db2.gz UNOIUPJYNSYSNC-JLSDUUJJSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001087141718 1170009632 /nfs/dbraw/zinc/00/96/32/1170009632.db2.gz UNOIUPJYNSYSNC-JLSDUUJJSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988717057 1192398321 /nfs/dbraw/zinc/39/83/21/1192398321.db2.gz YQFVGPFGGOMEDA-VYDXJSESSA-N 2 2 371.485 0.647 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@@H+]1C ZINC001021801154 1170073405 /nfs/dbraw/zinc/07/34/05/1170073405.db2.gz CMSSDRNQZSAWBY-YALNPMBYSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@H+]1C ZINC001021801154 1170073414 /nfs/dbraw/zinc/07/34/14/1170073414.db2.gz CMSSDRNQZSAWBY-YALNPMBYSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC001021802419 1170077362 /nfs/dbraw/zinc/07/73/62/1170077362.db2.gz CAZOLGULPYEYPM-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CC[N@H+]1C ZINC001021802419 1170077370 /nfs/dbraw/zinc/07/73/70/1170077370.db2.gz CAZOLGULPYEYPM-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)CC[N@@H+]1C ZINC001021802419 1170077372 /nfs/dbraw/zinc/07/73/72/1170077372.db2.gz CAZOLGULPYEYPM-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)CC[N@H+]1C ZINC001021802419 1170077379 /nfs/dbraw/zinc/07/73/79/1170077379.db2.gz CAZOLGULPYEYPM-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988717055 1192397909 /nfs/dbraw/zinc/39/79/09/1192397909.db2.gz YQFVGPFGGOMEDA-INMHGKMJSA-N 2 2 371.485 0.647 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC001021806090 1170081155 /nfs/dbraw/zinc/08/11/55/1170081155.db2.gz ITICNCUWJQYHJF-CAOSSQGBSA-N 2 2 359.474 0.742 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)CC[N@H+]1C ZINC001021806090 1170081163 /nfs/dbraw/zinc/08/11/63/1170081163.db2.gz ITICNCUWJQYHJF-CAOSSQGBSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000123963608 1170216468 /nfs/dbraw/zinc/21/64/68/1170216468.db2.gz FUCICMVYYCYTBP-VQIMIIECSA-N 2 2 360.502 0.883 20 0 FCADLP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000123963608 1170216473 /nfs/dbraw/zinc/21/64/73/1170216473.db2.gz FUCICMVYYCYTBP-VQIMIIECSA-N 2 2 360.502 0.883 20 0 FCADLP CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276221560 1170360660 /nfs/dbraw/zinc/36/06/60/1170360660.db2.gz DNZQEEIUSRVKDI-HUUCEWRRSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276221560 1170360669 /nfs/dbraw/zinc/36/06/69/1170360669.db2.gz DNZQEEIUSRVKDI-HUUCEWRRSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc(=O)[nH]1 ZINC000276221560 1170360672 /nfs/dbraw/zinc/36/06/72/1170360672.db2.gz DNZQEEIUSRVKDI-HUUCEWRRSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc(=O)[nH]1 ZINC000276221560 1170360680 /nfs/dbraw/zinc/36/06/80/1170360680.db2.gz DNZQEEIUSRVKDI-HUUCEWRRSA-N 2 2 362.478 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104362754 1170484005 /nfs/dbraw/zinc/48/40/05/1170484005.db2.gz HXDVSQNQHBCKNO-IXDOHACOSA-N 2 2 364.490 0.529 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891448873 1170585022 /nfs/dbraw/zinc/58/50/22/1170585022.db2.gz WVBUORHYYBFEDC-IRXDYDNUSA-N 2 2 360.458 0.653 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]Cc1cn(C)nn1 ZINC001104367096 1170649790 /nfs/dbraw/zinc/64/97/90/1170649790.db2.gz HHQAFDDVYGBHHP-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104367338 1170651959 /nfs/dbraw/zinc/65/19/59/1170651959.db2.gz PQXULOAKOVSLHJ-BRWVUGGUSA-N 2 2 371.489 0.811 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001022212838 1170756895 /nfs/dbraw/zinc/75/68/95/1170756895.db2.gz SQGCUMPRQCNHNQ-DOTOQJQBSA-N 2 2 371.485 0.650 20 0 FCADLP 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20 0 FCADLP CC(C)[C@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000891753553 1170844870 /nfs/dbraw/zinc/84/48/70/1170844870.db2.gz ZLCDVPOJKOWPDL-SFHVURJKSA-N 2 2 368.570 0.147 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+]1CCN(C)CC1 ZINC000891753553 1170844874 /nfs/dbraw/zinc/84/48/74/1170844874.db2.gz ZLCDVPOJKOWPDL-SFHVURJKSA-N 2 2 368.570 0.147 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]21 ZINC001022313689 1170849037 /nfs/dbraw/zinc/84/90/37/1170849037.db2.gz WOONRQMSPVKJQC-LESCRADOSA-N 2 2 361.490 0.906 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)Cn1cc[nH+]c1 ZINC000988749621 1192434579 /nfs/dbraw/zinc/43/45/79/1192434579.db2.gz FRAHGCGQRHOZDS-CVEARBPZSA-N 2 2 359.474 0.865 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001691263068 1170982083 /nfs/dbraw/zinc/98/20/83/1170982083.db2.gz BXGWWJYCQGYDKM-GOEBONIOSA-N 2 2 357.458 0.736 20 0 FCADLP 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C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000988842942 1192527289 /nfs/dbraw/zinc/52/72/89/1192527289.db2.gz DDVAVLGBAXNVQP-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989021510 1192628337 /nfs/dbraw/zinc/62/83/37/1192628337.db2.gz VKYJNJPKIWUOOG-RPVQJOFSSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000989049061 1192653287 /nfs/dbraw/zinc/65/32/87/1192653287.db2.gz KYLHZQHPJWDZOQ-INMHGKMJSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000989049061 1192653295 /nfs/dbraw/zinc/65/32/95/1192653295.db2.gz KYLHZQHPJWDZOQ-INMHGKMJSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000989050260 1192654432 /nfs/dbraw/zinc/65/44/32/1192654432.db2.gz UXKINDBFPNEXMO-OAGGEKHMSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000989050260 1192654436 /nfs/dbraw/zinc/65/44/36/1192654436.db2.gz UXKINDBFPNEXMO-OAGGEKHMSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000989062366 1192667482 /nfs/dbraw/zinc/66/74/82/1192667482.db2.gz VNIOIIKQBJNGTM-LZWOXQAQSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000989062366 1192667486 /nfs/dbraw/zinc/66/74/86/1192667486.db2.gz VNIOIIKQBJNGTM-LZWOXQAQSA-N 2 2 359.474 0.790 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001272166829 1192684191 /nfs/dbraw/zinc/68/41/91/1192684191.db2.gz QFGANTNPDFBYRB-BHYGNILZSA-N 2 2 357.458 0.496 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCN1CCNC1=O ZINC001088678490 1192817270 /nfs/dbraw/zinc/81/72/70/1192817270.db2.gz WBSKMPHMBGMYOR-KFWWJZLASA-N 2 2 360.462 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088679717 1192818309 /nfs/dbraw/zinc/81/83/09/1192818309.db2.gz WGUBGLAKRKRXMX-FMKPAKJESA-N 2 2 360.462 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCN1CCNC1=O ZINC001088679717 1192818310 /nfs/dbraw/zinc/81/83/10/1192818310.db2.gz WGUBGLAKRKRXMX-FMKPAKJESA-N 2 2 360.462 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001088679562 1192818471 /nfs/dbraw/zinc/81/84/71/1192818471.db2.gz TVFWKVXFSCHIFW-KYJSFNMBSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001088679562 1192818472 /nfs/dbraw/zinc/81/84/72/1192818472.db2.gz TVFWKVXFSCHIFW-KYJSFNMBSA-N 2 2 369.469 0.923 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088678490 1192817268 /nfs/dbraw/zinc/81/72/68/1192817268.db2.gz WBSKMPHMBGMYOR-KFWWJZLASA-N 2 2 360.462 0.050 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548270 1192870282 /nfs/dbraw/zinc/87/02/82/1192870282.db2.gz ZYQUBHUKKKWLBS-OWCLPIDISA-N 2 2 366.506 0.012 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548270 1192870283 /nfs/dbraw/zinc/87/02/83/1192870283.db2.gz ZYQUBHUKKKWLBS-OWCLPIDISA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548270 1192870285 /nfs/dbraw/zinc/87/02/85/1192870285.db2.gz ZYQUBHUKKKWLBS-OWCLPIDISA-N 2 2 366.506 0.012 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]3C2)C1 ZINC001691548270 1192870288 /nfs/dbraw/zinc/87/02/88/1192870288.db2.gz ZYQUBHUKKKWLBS-OWCLPIDISA-N 2 2 366.506 0.012 20 0 FCADLP CN1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC[N@H+](C)CC1 ZINC000888987792 1179027949 /nfs/dbraw/zinc/02/79/49/1179027949.db2.gz ASUNTEZLJBJJSR-UHFFFAOYSA-N 2 2 360.506 0.153 20 0 FCADLP CN1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC[N@@H+](C)CC1 ZINC000888987792 1179027958 /nfs/dbraw/zinc/02/79/58/1179027958.db2.gz ASUNTEZLJBJJSR-UHFFFAOYSA-N 2 2 360.506 0.153 20 0 FCADLP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)c1nnnn1C ZINC001104468558 1179074105 /nfs/dbraw/zinc/07/41/05/1179074105.db2.gz IJTLTLQQHZVPIN-RBSFLKMASA-N 2 2 360.466 0.632 20 0 FCADLP CN1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+](C)CC1 ZINC000888990914 1179214467 /nfs/dbraw/zinc/21/44/67/1179214467.db2.gz IYDPEQSWWVXNOP-UHFFFAOYSA-N 2 2 373.545 0.753 20 0 FCADLP CN1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+](C)CC1 ZINC000888990914 1179214478 /nfs/dbraw/zinc/21/44/78/1179214478.db2.gz IYDPEQSWWVXNOP-UHFFFAOYSA-N 2 2 373.545 0.753 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761317 1179525438 /nfs/dbraw/zinc/52/54/38/1179525438.db2.gz UWWUIEQTMOCSGK-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761317 1179525492 /nfs/dbraw/zinc/52/54/92/1179525492.db2.gz UWWUIEQTMOCSGK-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761317 1179525539 /nfs/dbraw/zinc/52/55/39/1179525539.db2.gz UWWUIEQTMOCSGK-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCOCC(F)(F)F)[C@@H]2C)C1 ZINC001691761317 1179525558 /nfs/dbraw/zinc/52/55/58/1179525558.db2.gz UWWUIEQTMOCSGK-HZSPNIEDSA-N 2 2 367.412 0.865 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001087241243 1179629838 /nfs/dbraw/zinc/62/98/38/1179629838.db2.gz NFZBSCORHANYKZ-PVAVHDDUSA-N 2 2 361.490 0.848 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC001083262280 1179897990 /nfs/dbraw/zinc/89/79/90/1179897990.db2.gz MYVKZQWQDDMDSR-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]21 ZINC001083262280 1179897996 /nfs/dbraw/zinc/89/79/96/1179897996.db2.gz MYVKZQWQDDMDSR-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087246638 1179976077 /nfs/dbraw/zinc/97/60/77/1179976077.db2.gz YGVMTWCDYMHLRH-VYDXJSESSA-N 2 2 365.478 0.755 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001087246300 1179977940 /nfs/dbraw/zinc/97/79/40/1179977940.db2.gz IMEVUNFWLNVFNE-OCCSQVGLSA-N 2 2 361.450 0.030 20 0 FCADLP CN(CC[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691479586 1180476897 /nfs/dbraw/zinc/47/68/97/1180476897.db2.gz YPJOFTJXKHQRBD-HZPDHXFCSA-N 2 2 355.442 0.871 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024164616 1180932737 /nfs/dbraw/zinc/93/27/37/1180932737.db2.gz FEHFUVSMZGFRTA-NUEKZKHPSA-N 2 2 357.462 0.681 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)CC1 ZINC000972990211 1181851453 /nfs/dbraw/zinc/85/14/53/1181851453.db2.gz RJXILYPGUVOLNI-YFHUEUNASA-N 2 2 371.485 0.914 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC000972990211 1181851458 /nfs/dbraw/zinc/85/14/58/1181851458.db2.gz RJXILYPGUVOLNI-YFHUEUNASA-N 2 2 371.485 0.914 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083275726 1181853922 /nfs/dbraw/zinc/85/39/22/1181853922.db2.gz SOICNQXMSFPUDO-IXDOHACOSA-N 2 2 362.474 0.918 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083275726 1181853924 /nfs/dbraw/zinc/85/39/24/1181853924.db2.gz SOICNQXMSFPUDO-IXDOHACOSA-N 2 2 362.474 0.918 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000973000327 1181878102 /nfs/dbraw/zinc/87/81/02/1181878102.db2.gz QYFVZSZIBIYLIC-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000973458166 1182320781 /nfs/dbraw/zinc/32/07/81/1182320781.db2.gz VYKRNGWKXVHFSF-KBUPBQIOSA-N 2 2 356.430 0.492 20 0 FCADLP CC(C)n1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728936 1182400623 /nfs/dbraw/zinc/40/06/23/1182400623.db2.gz IRTDWQJFYWIHFU-ZIAGYGMSSA-N 2 2 360.466 0.794 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)n1cc[nH+]c1 ZINC001104738469 1182411198 /nfs/dbraw/zinc/41/11/98/1182411198.db2.gz WSIOAYMKAQSGFI-MGPQQGTHSA-N 2 2 364.450 0.103 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000892757735 1182479161 /nfs/dbraw/zinc/47/91/61/1182479161.db2.gz GRWCEORKNIWESL-DLBZAZTESA-N 2 2 366.506 0.651 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001025684179 1182682521 /nfs/dbraw/zinc/68/25/21/1182682521.db2.gz YIKBESGTUGYMQY-CSMYWGQOSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001025684179 1182682524 /nfs/dbraw/zinc/68/25/24/1182682524.db2.gz YIKBESGTUGYMQY-CSMYWGQOSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025793960 1182845812 /nfs/dbraw/zinc/84/58/12/1182845812.db2.gz FDGZCJNVHQOCQE-YTKNBERCSA-N 2 2 359.478 0.456 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025793960 1182845814 /nfs/dbraw/zinc/84/58/14/1182845814.db2.gz FDGZCJNVHQOCQE-YTKNBERCSA-N 2 2 359.478 0.456 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025793960 1182845818 /nfs/dbraw/zinc/84/58/18/1182845818.db2.gz FDGZCJNVHQOCQE-YTKNBERCSA-N 2 2 359.478 0.456 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025793960 1182845819 /nfs/dbraw/zinc/84/58/19/1182845819.db2.gz FDGZCJNVHQOCQE-YTKNBERCSA-N 2 2 359.478 0.456 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@]34CC(=O)N[C@H]3CCCC4)C2)CC1 ZINC000893022486 1182866150 /nfs/dbraw/zinc/86/61/50/1182866150.db2.gz LXIQWHRZZPGXIA-SIXWZSSISA-N 2 2 363.506 0.655 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@]34CC(=O)N[C@H]3CCCC4)C2)CC1 ZINC000893022486 1182866151 /nfs/dbraw/zinc/86/61/51/1182866151.db2.gz LXIQWHRZZPGXIA-SIXWZSSISA-N 2 2 363.506 0.655 20 0 FCADLP CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919130 1182868521 /nfs/dbraw/zinc/86/85/21/1182868521.db2.gz NZMJIEOITANGFY-VWQYPGANSA-N 2 2 365.518 0.959 20 0 FCADLP CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919130 1182868525 /nfs/dbraw/zinc/86/85/25/1182868525.db2.gz NZMJIEOITANGFY-VWQYPGANSA-N 2 2 365.518 0.959 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)n2)CC1 ZINC000330193326 1182943163 /nfs/dbraw/zinc/94/31/63/1182943163.db2.gz AIBVHXGLTAQLKW-MRXNPFEDSA-N 2 2 362.478 1.088 20 0 FCADLP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)nn1 ZINC001104908861 1182990118 /nfs/dbraw/zinc/99/01/18/1182990118.db2.gz NUBDVLHTESQAGE-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)c1nnnn1C ZINC001104910533 1182991846 /nfs/dbraw/zinc/99/18/46/1182991846.db2.gz KKRMFLZVTAJUJN-HZSPNIEDSA-N 2 2 360.466 0.322 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001105041677 1183089448 /nfs/dbraw/zinc/08/94/48/1183089448.db2.gz HBZXCGQFCPULGO-BMFZPTHFSA-N 2 2 364.494 0.408 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001105041677 1183089456 /nfs/dbraw/zinc/08/94/56/1183089456.db2.gz HBZXCGQFCPULGO-BMFZPTHFSA-N 2 2 364.494 0.408 20 0 FCADLP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001105070925 1183104166 /nfs/dbraw/zinc/10/41/66/1183104166.db2.gz FCBFAEGBHIJCEP-QGPMSJSTSA-N 2 2 361.490 0.505 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101824 1183122227 /nfs/dbraw/zinc/12/22/27/1183122227.db2.gz IHXVLHLHCGNLOX-HZPDHXFCSA-N 2 2 364.494 0.665 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001105104696 1183122803 /nfs/dbraw/zinc/12/28/03/1183122803.db2.gz BDNBQPJQYIBAPP-ZIAGYGMSSA-N 2 2 360.418 0.584 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974565185 1183342374 /nfs/dbraw/zinc/34/23/74/1183342374.db2.gz LJLRGNVNJHXTER-NVXWUHKLSA-N 2 2 371.485 0.650 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC000974578199 1183349904 /nfs/dbraw/zinc/34/99/04/1183349904.db2.gz WPBQVIKQSCLMHB-GDBMZVCRSA-N 2 2 359.474 0.506 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000974588271 1183356186 /nfs/dbraw/zinc/35/61/86/1183356186.db2.gz DTSISJFYDQJRRO-RHSMWYFYSA-N 2 2 368.441 0.717 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974588871 1183356258 /nfs/dbraw/zinc/35/62/58/1183356258.db2.gz AVJLRSSHXYSQOI-VYDXJSESSA-N 2 2 366.506 0.045 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974588871 1183356266 /nfs/dbraw/zinc/35/62/66/1183356266.db2.gz AVJLRSSHXYSQOI-VYDXJSESSA-N 2 2 366.506 0.045 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)C1CC1 ZINC000974632394 1183383584 /nfs/dbraw/zinc/38/35/84/1183383584.db2.gz HEHJGEQNHRFIKV-JFIYKMOQSA-N 2 2 359.474 0.673 20 0 FCADLP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001026897161 1183468243 /nfs/dbraw/zinc/46/82/43/1183468243.db2.gz LVLUKEJOLCVSGU-BPLDGKMQSA-N 2 2 356.430 0.950 20 0 FCADLP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001026897161 1183468247 /nfs/dbraw/zinc/46/82/47/1183468247.db2.gz LVLUKEJOLCVSGU-BPLDGKMQSA-N 2 2 356.430 0.950 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722265 1183497414 /nfs/dbraw/zinc/49/74/14/1183497414.db2.gz DWYWBAOTGQMZSM-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722265 1183497425 /nfs/dbraw/zinc/49/74/25/1183497425.db2.gz DWYWBAOTGQMZSM-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722265 1183497435 /nfs/dbraw/zinc/49/74/35/1183497435.db2.gz DWYWBAOTGQMZSM-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722265 1183497442 /nfs/dbraw/zinc/49/74/42/1183497442.db2.gz DWYWBAOTGQMZSM-KBRIMQKVSA-N 2 2 361.490 0.831 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC000975423258 1183856850 /nfs/dbraw/zinc/85/68/50/1183856850.db2.gz MHSPXKQZHIPAPB-NVXWUHKLSA-N 2 2 359.474 0.888 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975423632 1183856963 /nfs/dbraw/zinc/85/69/63/1183856963.db2.gz BDIAGFSXWJUDRD-DJIMGWMZSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975423632 1183856966 /nfs/dbraw/zinc/85/69/66/1183856966.db2.gz BDIAGFSXWJUDRD-DJIMGWMZSA-N 2 2 359.474 0.884 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC000975425715 1183866844 /nfs/dbraw/zinc/86/68/44/1183866844.db2.gz WYQREVAWXBQCEI-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC000975425715 1183866847 /nfs/dbraw/zinc/86/68/47/1183866847.db2.gz WYQREVAWXBQCEI-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425958 1183866873 /nfs/dbraw/zinc/86/68/73/1183866873.db2.gz ZRVNTPWYGXZNDO-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425958 1183866874 /nfs/dbraw/zinc/86/68/74/1183866874.db2.gz ZRVNTPWYGXZNDO-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975683484 1184038566 /nfs/dbraw/zinc/03/85/66/1184038566.db2.gz MJDCKYVDBXGTAF-HOTGVXAUSA-N 2 2 371.485 0.888 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000975818776 1185817436 /nfs/dbraw/zinc/81/74/36/1185817436.db2.gz HNHIBRLJQSPXSZ-IRXDYDNUSA-N 2 2 371.485 0.961 20 0 FCADLP O=C(NCc1ccc(CC[NH2+][C@H]2CCNC2=O)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027255080 1185834629 /nfs/dbraw/zinc/83/46/29/1185834629.db2.gz ZXYDOQABTAXHAN-ZACQAIPSSA-N 2 2 367.453 0.850 20 0 FCADLP O=C(NCc1ccc(CC[NH2+][C@H]2CCNC2=O)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027255080 1185834632 /nfs/dbraw/zinc/83/46/32/1185834632.db2.gz ZXYDOQABTAXHAN-ZACQAIPSSA-N 2 2 367.453 0.850 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC000979986799 1186156223 /nfs/dbraw/zinc/15/62/23/1186156223.db2.gz ODLJQCQXLFPROZ-VUVWGQCBSA-N 2 2 359.474 0.864 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC000979986799 1186156227 /nfs/dbraw/zinc/15/62/27/1186156227.db2.gz ODLJQCQXLFPROZ-VUVWGQCBSA-N 2 2 359.474 0.864 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000979986799 1186156232 /nfs/dbraw/zinc/15/62/32/1186156232.db2.gz ODLJQCQXLFPROZ-VUVWGQCBSA-N 2 2 359.474 0.864 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000979986799 1186156239 /nfs/dbraw/zinc/15/62/39/1186156239.db2.gz ODLJQCQXLFPROZ-VUVWGQCBSA-N 2 2 359.474 0.864 20 0 FCADLP Cc1cccc(C(=O)N2CCC([NH2+]CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001648940422 1186382344 /nfs/dbraw/zinc/38/23/44/1186382344.db2.gz AMJMHYMYQBRBRF-UHFFFAOYSA-N 2 2 358.486 0.963 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441556 1187494575 /nfs/dbraw/zinc/49/45/75/1187494575.db2.gz NVILMHPHTZWRGD-CGTJXYLNSA-N 2 2 358.486 0.788 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441556 1187494577 /nfs/dbraw/zinc/49/45/77/1187494577.db2.gz NVILMHPHTZWRGD-CGTJXYLNSA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441556 1187494582 /nfs/dbraw/zinc/49/45/82/1187494582.db2.gz NVILMHPHTZWRGD-CGTJXYLNSA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccccc2)C1 ZINC001087441556 1187494585 /nfs/dbraw/zinc/49/45/85/1187494585.db2.gz NVILMHPHTZWRGD-CGTJXYLNSA-N 2 2 358.486 0.788 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441826 1187511712 /nfs/dbraw/zinc/51/17/12/1187511712.db2.gz ASNJANPZVHELOC-IAGOWNOFSA-N 2 2 356.470 0.542 20 0 FCADLP NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441826 1187511719 /nfs/dbraw/zinc/51/17/19/1187511719.db2.gz ASNJANPZVHELOC-IAGOWNOFSA-N 2 2 356.470 0.542 20 0 FCADLP CCCCn1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549673 1187601832 /nfs/dbraw/zinc/60/18/32/1187601832.db2.gz UTHAYDIOTPQPAY-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549673 1187601836 /nfs/dbraw/zinc/60/18/36/1187601836.db2.gz UTHAYDIOTPQPAY-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549673 1187601841 /nfs/dbraw/zinc/60/18/41/1187601841.db2.gz UTHAYDIOTPQPAY-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCCn1nnnc1C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028549673 1187601847 /nfs/dbraw/zinc/60/18/47/1187601847.db2.gz UTHAYDIOTPQPAY-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372977 1187695432 /nfs/dbraw/zinc/69/54/32/1187695432.db2.gz NATGFCNRMYOTIB-PMPSAXMXSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372977 1187695442 /nfs/dbraw/zinc/69/54/42/1187695442.db2.gz NATGFCNRMYOTIB-PMPSAXMXSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372977 1187695447 /nfs/dbraw/zinc/69/54/47/1187695447.db2.gz NATGFCNRMYOTIB-PMPSAXMXSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372977 1187695451 /nfs/dbraw/zinc/69/54/51/1187695451.db2.gz NATGFCNRMYOTIB-PMPSAXMXSA-N 2 2 363.458 0.330 20 0 FCADLP CC(C)c1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630146 1187759450 /nfs/dbraw/zinc/75/94/50/1187759450.db2.gz YQRBEDRCMWUBQP-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630146 1187759456 /nfs/dbraw/zinc/75/94/56/1187759456.db2.gz YQRBEDRCMWUBQP-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630146 1187759461 /nfs/dbraw/zinc/75/94/61/1187759461.db2.gz YQRBEDRCMWUBQP-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630146 1187759467 /nfs/dbraw/zinc/75/94/67/1187759467.db2.gz YQRBEDRCMWUBQP-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000982919160 1187789126 /nfs/dbraw/zinc/78/91/26/1187789126.db2.gz AOIJZDJIAFDJFW-FVQBIDKESA-N 2 2 359.474 0.820 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000982919160 1187789131 /nfs/dbraw/zinc/78/91/31/1187789131.db2.gz AOIJZDJIAFDJFW-FVQBIDKESA-N 2 2 359.474 0.820 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@@H+]1C ZINC000983062712 1187825627 /nfs/dbraw/zinc/82/56/27/1187825627.db2.gz WIJBWVPYFCQTII-YQQAZPJKSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@H+]1C ZINC000983062712 1187825630 /nfs/dbraw/zinc/82/56/30/1187825630.db2.gz WIJBWVPYFCQTII-YQQAZPJKSA-N 2 2 361.490 0.956 20 0 FCADLP C[N@@H+]1CCC12CN(C(=O)[C@H]([NH3+])CCCNC(=O)OCc1ccccc1)C2 ZINC001269930550 1187942248 /nfs/dbraw/zinc/94/22/48/1187942248.db2.gz IGIVRXYJAQYHSA-MRXNPFEDSA-N 2 2 360.458 0.937 20 0 FCADLP C[N@H+]1CCC12CN(C(=O)[C@H]([NH3+])CCCNC(=O)OCc1ccccc1)C2 ZINC001269930550 1187942254 /nfs/dbraw/zinc/94/22/54/1187942254.db2.gz IGIVRXYJAQYHSA-MRXNPFEDSA-N 2 2 360.458 0.937 20 0 FCADLP Nc1[nH]c2ccc(C(=O)N3CC4(C3)C[NH+](CCn3ccnc3)C4)cc2[nH+]1 ZINC001270272652 1188073923 /nfs/dbraw/zinc/07/39/23/1188073923.db2.gz PNNMMDBERBSDOJ-UHFFFAOYSA-N 2 2 351.414 0.800 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4c[nH]c5cc[nH+]cc45)CC3)[C@H]2C1 ZINC001270286609 1188080818 /nfs/dbraw/zinc/08/08/18/1188080818.db2.gz SCLGXFJXEGXPRF-GJZGRUSLSA-N 2 2 353.426 0.845 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4c[nH]c5cc[nH+]cc45)CC3)[C@H]2C1 ZINC001270286609 1188080821 /nfs/dbraw/zinc/08/08/21/1188080821.db2.gz SCLGXFJXEGXPRF-GJZGRUSLSA-N 2 2 353.426 0.845 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC000983922647 1188398538 /nfs/dbraw/zinc/39/85/38/1188398538.db2.gz IGWZUXRFEUNIBD-KLHDSHLOSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC000983922647 1188398542 /nfs/dbraw/zinc/39/85/42/1188398542.db2.gz IGWZUXRFEUNIBD-KLHDSHLOSA-N 2 2 355.442 0.897 20 0 FCADLP O=C(N[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983927095 1188399622 /nfs/dbraw/zinc/39/96/22/1188399622.db2.gz NBGRBMIXYHCLFX-RFBLXINOSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(N[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983927095 1188399627 /nfs/dbraw/zinc/39/96/27/1188399627.db2.gz NBGRBMIXYHCLFX-RFBLXINOSA-N 2 2 359.474 0.914 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984011380 1189370085 /nfs/dbraw/zinc/37/00/85/1189370085.db2.gz COBNWPOPVBRVBD-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccn(CC[NH+](C)C)n4)[C@@H]3C2)n1 ZINC001075803758 1189392385 /nfs/dbraw/zinc/39/23/85/1189392385.db2.gz ATLHSPCKVYDHEH-MAUKXSAKSA-N 2 2 371.489 0.525 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccn(CC[NH+](C)C)n4)[C@@H]3C2)n1 ZINC001075803758 1189392394 /nfs/dbraw/zinc/39/23/94/1189392394.db2.gz ATLHSPCKVYDHEH-MAUKXSAKSA-N 2 2 371.489 0.525 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000984257939 1189725149 /nfs/dbraw/zinc/72/51/49/1189725149.db2.gz GQLPHKXDJGTWCT-BFYDXBDKSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000984257939 1189725154 /nfs/dbraw/zinc/72/51/54/1189725154.db2.gz GQLPHKXDJGTWCT-BFYDXBDKSA-N 2 2 361.490 0.752 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001087797718 1189827939 /nfs/dbraw/zinc/82/79/39/1189827939.db2.gz FKWLSCLPPYSHAJ-DLBZAZTESA-N 2 2 361.490 0.991 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001087797718 1189827942 /nfs/dbraw/zinc/82/79/42/1189827942.db2.gz FKWLSCLPPYSHAJ-DLBZAZTESA-N 2 2 361.490 0.991 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCn1nc(C)nc1C ZINC001087798071 1189828758 /nfs/dbraw/zinc/82/87/58/1189828758.db2.gz ZRLGEXOMSJJHPI-DLBZAZTESA-N 2 2 359.478 0.840 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCn1nc(C)nc1C ZINC001087798071 1189828761 /nfs/dbraw/zinc/82/87/61/1189828761.db2.gz ZRLGEXOMSJJHPI-DLBZAZTESA-N 2 2 359.478 0.840 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908987 1189895213 /nfs/dbraw/zinc/89/52/13/1189895213.db2.gz UYECCYAUZCGINC-PMPSAXMXSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908987 1189895217 /nfs/dbraw/zinc/89/52/17/1189895217.db2.gz UYECCYAUZCGINC-PMPSAXMXSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908987 1189895219 /nfs/dbraw/zinc/89/52/19/1189895219.db2.gz UYECCYAUZCGINC-PMPSAXMXSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908987 1189895224 /nfs/dbraw/zinc/89/52/24/1189895224.db2.gz UYECCYAUZCGINC-PMPSAXMXSA-N 2 2 361.494 0.458 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1C[NH+](C2CCOCC2)C1 ZINC000896152461 1189982688 /nfs/dbraw/zinc/98/26/88/1189982688.db2.gz MGHDNKRWFXJUBM-UHFFFAOYSA-N 2 2 363.462 0.265 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087974224 1190040760 /nfs/dbraw/zinc/04/07/60/1190040760.db2.gz NRVIOTVLKPSXAE-HLLBOEOZSA-N 2 2 371.485 0.431 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1 ZINC001087974224 1190040764 /nfs/dbraw/zinc/04/07/64/1190040764.db2.gz NRVIOTVLKPSXAE-HLLBOEOZSA-N 2 2 371.485 0.431 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1 ZINC001029481497 1190106533 /nfs/dbraw/zinc/10/65/33/1190106533.db2.gz TYBFFWQXMDDZHT-QKPAOTATSA-N 2 2 355.446 0.491 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1 ZINC001029481497 1190106535 /nfs/dbraw/zinc/10/65/35/1190106535.db2.gz TYBFFWQXMDDZHT-QKPAOTATSA-N 2 2 355.446 0.491 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985776 1190107263 /nfs/dbraw/zinc/10/72/63/1190107263.db2.gz DAPUBAQLUSCPFB-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985776 1190107270 /nfs/dbraw/zinc/10/72/70/1190107270.db2.gz DAPUBAQLUSCPFB-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985776 1190107273 /nfs/dbraw/zinc/10/72/73/1190107273.db2.gz DAPUBAQLUSCPFB-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985776 1190107276 /nfs/dbraw/zinc/10/72/76/1190107276.db2.gz DAPUBAQLUSCPFB-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087988692 1190135063 /nfs/dbraw/zinc/13/50/63/1190135063.db2.gz VRCKMFMKFNFKGE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087988692 1190135064 /nfs/dbraw/zinc/13/50/64/1190135064.db2.gz VRCKMFMKFNFKGE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001087988692 1190135066 /nfs/dbraw/zinc/13/50/66/1190135066.db2.gz VRCKMFMKFNFKGE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001087988692 1190135070 /nfs/dbraw/zinc/13/50/70/1190135070.db2.gz VRCKMFMKFNFKGE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC000984824715 1190163155 /nfs/dbraw/zinc/16/31/55/1190163155.db2.gz PNQAUEVXOQFTGW-KBUPBQIOSA-N 2 2 371.489 0.899 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088010792 1190209316 /nfs/dbraw/zinc/20/93/16/1190209316.db2.gz KMSJZTOGUKRROI-IJEWVQPXSA-N 2 2 361.494 0.629 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088010792 1190209325 /nfs/dbraw/zinc/20/93/25/1190209325.db2.gz KMSJZTOGUKRROI-IJEWVQPXSA-N 2 2 361.494 0.629 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021554 1190240939 /nfs/dbraw/zinc/24/09/39/1190240939.db2.gz RRFJXSSHUNQBDK-DVOMOZLQSA-N 2 2 363.462 0.394 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021554 1190240944 /nfs/dbraw/zinc/24/09/44/1190240944.db2.gz RRFJXSSHUNQBDK-DVOMOZLQSA-N 2 2 363.462 0.394 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088042697 1190301812 /nfs/dbraw/zinc/30/18/12/1190301812.db2.gz DMUCYKNCQWWPAD-XHSDSOJGSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nncn3C)CC[C@@H]2C1 ZINC001088042697 1190301816 /nfs/dbraw/zinc/30/18/16/1190301816.db2.gz DMUCYKNCQWWPAD-XHSDSOJGSA-N 2 2 357.462 0.862 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050591 1190310829 /nfs/dbraw/zinc/31/08/29/1190310829.db2.gz NCARWXXZSGFQMZ-XHSDSOJGSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050591 1190310835 /nfs/dbraw/zinc/31/08/35/1190310835.db2.gz NCARWXXZSGFQMZ-XHSDSOJGSA-N 2 2 361.490 0.610 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnon4)CC[C@@H]3C2)C1 ZINC001088080772 1190451082 /nfs/dbraw/zinc/45/10/82/1190451082.db2.gz MHPKFAOQIUKQFS-VYDXJSESSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnon4)CC[C@@H]3C2)C1 ZINC001088080772 1190451086 /nfs/dbraw/zinc/45/10/86/1190451086.db2.gz MHPKFAOQIUKQFS-VYDXJSESSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)C1 ZINC001088080772 1190451091 /nfs/dbraw/zinc/45/10/91/1190451091.db2.gz MHPKFAOQIUKQFS-VYDXJSESSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)C1 ZINC001088080772 1190451096 /nfs/dbraw/zinc/45/10/96/1190451096.db2.gz MHPKFAOQIUKQFS-VYDXJSESSA-N 2 2 363.462 0.459 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C)CC[C@@H]3C2)CC[N@@H+]1C ZINC001088081918 1190467661 /nfs/dbraw/zinc/46/76/61/1190467661.db2.gz KSFBWHALRXXDCZ-JONQDZQNSA-N 2 2 361.494 0.221 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C)CC[C@@H]3C2)CC[N@H+]1C ZINC001088081918 1190467667 /nfs/dbraw/zinc/46/76/67/1190467667.db2.gz KSFBWHALRXXDCZ-JONQDZQNSA-N 2 2 361.494 0.221 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081918 1190467669 /nfs/dbraw/zinc/46/76/69/1190467669.db2.gz KSFBWHALRXXDCZ-JONQDZQNSA-N 2 2 361.494 0.221 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C)CC[C@@H]3C2)CC[NH+]1C ZINC001088081918 1190467673 /nfs/dbraw/zinc/46/76/73/1190467673.db2.gz KSFBWHALRXXDCZ-JONQDZQNSA-N 2 2 361.494 0.221 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090608 1190539949 /nfs/dbraw/zinc/53/99/49/1190539949.db2.gz YAUVWGILTLGDDK-BMFZPTHFSA-N 2 2 361.494 0.393 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090608 1190539955 /nfs/dbraw/zinc/53/99/55/1190539955.db2.gz YAUVWGILTLGDDK-BMFZPTHFSA-N 2 2 361.494 0.393 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121758 1190615693 /nfs/dbraw/zinc/61/56/93/1190615693.db2.gz WLZWDSBTZNSLSY-HLLBOEOZSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088121758 1190615700 /nfs/dbraw/zinc/61/57/00/1190615700.db2.gz WLZWDSBTZNSLSY-HLLBOEOZSA-N 2 2 359.474 0.742 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985142429 1190631036 /nfs/dbraw/zinc/63/10/36/1190631036.db2.gz BURXSBOUEZHRMN-JKSUJKDBSA-N 2 2 358.446 0.663 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC000985164420 1190661210 /nfs/dbraw/zinc/66/12/10/1190661210.db2.gz PEGFZLSFJLDNTD-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC000985164420 1190661214 /nfs/dbraw/zinc/66/12/14/1190661214.db2.gz PEGFZLSFJLDNTD-HYVNUMGLSA-N 2 2 361.490 0.943 20 0 FCADLP Cc1noc(CN2C[C@]3(CC2=O)COCC[N@@H+](C2CC[NH+](C)CC2)C3)n1 ZINC001276756326 1224110232 /nfs/dbraw/zinc/11/02/32/1224110232.db2.gz NKEKJFQJUGUHLD-GOSISDBHSA-N 2 2 363.462 0.523 20 0 FCADLP Cc1noc(CN2C[C@]3(CC2=O)COCC[N@H+](C2CC[NH+](C)CC2)C3)n1 ZINC001276756326 1224110234 /nfs/dbraw/zinc/11/02/34/1224110234.db2.gz NKEKJFQJUGUHLD-GOSISDBHSA-N 2 2 363.462 0.523 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756959 1224113684 /nfs/dbraw/zinc/11/36/84/1224113684.db2.gz KEWLWGPAQJRWJC-LIRRHRJNSA-N 2 2 365.474 0.731 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756959 1224113685 /nfs/dbraw/zinc/11/36/85/1224113685.db2.gz KEWLWGPAQJRWJC-LIRRHRJNSA-N 2 2 365.474 0.731 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757058 1224114078 /nfs/dbraw/zinc/11/40/78/1224114078.db2.gz NLGXTFZAXLAZOG-LIRRHRJNSA-N 2 2 365.474 0.873 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757058 1224114079 /nfs/dbraw/zinc/11/40/79/1224114079.db2.gz NLGXTFZAXLAZOG-LIRRHRJNSA-N 2 2 365.474 0.873 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(C[C@@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757035 1224114269 /nfs/dbraw/zinc/11/42/69/1224114269.db2.gz MWZCKPHYGINRII-APWZRJJASA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C[C@@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757035 1224114272 /nfs/dbraw/zinc/11/42/72/1224114272.db2.gz MWZCKPHYGINRII-APWZRJJASA-N 2 2 367.490 0.535 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000986139561 1190904202 /nfs/dbraw/zinc/90/42/02/1190904202.db2.gz DWPKCOZZSYWECX-SJORKVTESA-N 2 2 370.457 0.704 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)CCC1 ZINC000986257816 1190934162 /nfs/dbraw/zinc/93/41/62/1190934162.db2.gz CUXGUQVRGHINBT-CVEARBPZSA-N 2 2 359.474 0.674 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CCC1 ZINC000986261117 1190937216 /nfs/dbraw/zinc/93/72/16/1190937216.db2.gz YKJWOLWYELACNR-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1)[NH+](C)C ZINC000986336163 1190951394 /nfs/dbraw/zinc/95/13/94/1190951394.db2.gz GJTQPEHQWNPTPE-SOLBZPMBSA-N 2 2 361.490 0.776 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC000986338300 1190960085 /nfs/dbraw/zinc/96/00/85/1190960085.db2.gz WCZFFFOAGHZGKL-SQNIBIBYSA-N 2 2 371.485 0.532 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC000986338293 1190960140 /nfs/dbraw/zinc/96/01/40/1190960140.db2.gz WCZFFFOAGHZGKL-FGTMMUONSA-N 2 2 371.485 0.532 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000986418991 1190984160 /nfs/dbraw/zinc/98/41/60/1190984160.db2.gz QOCYVAXRAOPZOQ-CVEARBPZSA-N 2 2 370.457 0.475 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1)[NH+](C)C ZINC000986462082 1191005407 /nfs/dbraw/zinc/00/54/07/1191005407.db2.gz RFXXMMZSPZTNPF-RVKKMQEKSA-N 2 2 361.490 0.845 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495076 1191013215 /nfs/dbraw/zinc/01/32/15/1191013215.db2.gz ZIPBHWFDYQIYTC-SNPRPXQTSA-N 2 2 358.446 0.196 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495076 1191013217 /nfs/dbraw/zinc/01/32/17/1191013217.db2.gz ZIPBHWFDYQIYTC-SNPRPXQTSA-N 2 2 358.446 0.196 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001088495076 1191013218 /nfs/dbraw/zinc/01/32/18/1191013218.db2.gz ZIPBHWFDYQIYTC-SNPRPXQTSA-N 2 2 358.446 0.196 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ncnn3C)CC2)O1 ZINC001029974065 1191057962 /nfs/dbraw/zinc/05/79/62/1191057962.db2.gz XMKSPAQAKAZABQ-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ncnn3C)CC2)O1 ZINC001029974065 1191057965 /nfs/dbraw/zinc/05/79/65/1191057965.db2.gz XMKSPAQAKAZABQ-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ncnn3C)CC2)O1 ZINC001029974065 1191057968 /nfs/dbraw/zinc/05/79/68/1191057968.db2.gz XMKSPAQAKAZABQ-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3ncnn3C)CC2)O1 ZINC001029974065 1191057973 /nfs/dbraw/zinc/05/79/73/1191057973.db2.gz XMKSPAQAKAZABQ-GDBMZVCRSA-N 2 2 364.494 0.205 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)CCC1 ZINC000986764120 1191094542 /nfs/dbraw/zinc/09/45/42/1191094542.db2.gz CNVKNUCMXAMVDO-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)NC3CCCC3)CC2)CC1 ZINC001276761362 1224127601 /nfs/dbraw/zinc/12/76/01/1224127601.db2.gz DUTNYZTZUBCFCR-KRWDZBQOSA-N 2 2 362.518 0.921 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C)C1 ZINC000988366557 1191194829 /nfs/dbraw/zinc/19/48/29/1191194829.db2.gz ZNPDANPCGBDDJT-VNQPRFMTSA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C)C1 ZINC000988366557 1191194831 /nfs/dbraw/zinc/19/48/31/1191194831.db2.gz ZNPDANPCGBDDJT-VNQPRFMTSA-N 2 2 363.462 0.018 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@@H+]1Cc1ccnn1C ZINC001088574867 1191214544 /nfs/dbraw/zinc/21/45/44/1191214544.db2.gz VPHALZKLVDNJAU-ZBFHGGJFSA-N 2 2 359.478 0.571 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1ccnn1C ZINC001088574867 1191214548 /nfs/dbraw/zinc/21/45/48/1191214548.db2.gz VPHALZKLVDNJAU-ZBFHGGJFSA-N 2 2 359.478 0.571 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000550659916 1193727173 /nfs/dbraw/zinc/72/71/73/1193727173.db2.gz GLFQKTQGGGLHTC-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000550659916 1193727178 /nfs/dbraw/zinc/72/71/78/1193727178.db2.gz GLFQKTQGGGLHTC-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000550659916 1193727182 /nfs/dbraw/zinc/72/71/82/1193727182.db2.gz GLFQKTQGGGLHTC-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000550659916 1193727188 /nfs/dbraw/zinc/72/71/88/1193727188.db2.gz GLFQKTQGGGLHTC-INIZCTEOSA-N 2 2 358.486 0.714 20 0 FCADLP CN(C)C(=O)COCc1nnc2n1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168323240 1193757009 /nfs/dbraw/zinc/75/70/09/1193757009.db2.gz WEYCCFVAUNVWCJ-UHFFFAOYSA-N 2 2 364.494 0.571 20 0 FCADLP CN(C)C(=O)COCc1nnc2n1CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168323240 1193757011 /nfs/dbraw/zinc/75/70/11/1193757011.db2.gz WEYCCFVAUNVWCJ-UHFFFAOYSA-N 2 2 364.494 0.571 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758530 1193761361 /nfs/dbraw/zinc/76/13/61/1193761361.db2.gz VOHDGOLRWLNSBA-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758530 1193761363 /nfs/dbraw/zinc/76/13/63/1193761363.db2.gz VOHDGOLRWLNSBA-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000990116206 1193796992 /nfs/dbraw/zinc/79/69/92/1193796992.db2.gz SNYQFPOGLZHDLO-DZUCGIPZSA-N 2 2 373.501 0.971 20 0 FCADLP CCOC(=O)c1ncn(Cc2ccccc2)c1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218550285 1224171890 /nfs/dbraw/zinc/17/18/90/1224171890.db2.gz TUHNSAPCISRFGP-KBPBESRZSA-N 2 2 357.414 0.736 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052610 1193900015 /nfs/dbraw/zinc/90/00/15/1193900015.db2.gz HGGHJXHUFCUBFL-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552052610 1193900022 /nfs/dbraw/zinc/90/00/22/1193900022.db2.gz HGGHJXHUFCUBFL-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP C[C@H](C[C@@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000552646240 1193946505 /nfs/dbraw/zinc/94/65/05/1193946505.db2.gz IYZANVODGKSVEL-WBVHZDCISA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](C[C@@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552646240 1193946508 /nfs/dbraw/zinc/94/65/08/1193946508.db2.gz IYZANVODGKSVEL-WBVHZDCISA-N 2 2 368.522 0.545 20 0 FCADLP CCNc1nc(NC[C@H](O)C[NH+]2CCC(C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553058622 1193968647 /nfs/dbraw/zinc/96/86/47/1193968647.db2.gz HBPLUDSHMMZECZ-AWEZNQCLSA-N 2 2 365.526 0.862 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)ccn2)CC1 ZINC000553327673 1193988733 /nfs/dbraw/zinc/98/87/33/1193988733.db2.gz KQAWTTOMYSFWGX-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105672887 1194077367 /nfs/dbraw/zinc/07/73/67/1194077367.db2.gz DNAULVNTJPMWSP-FPAYPSAMSA-N 2 2 364.490 0.886 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC[NH2+]1 ZINC000842194544 1194087162 /nfs/dbraw/zinc/08/71/62/1194087162.db2.gz NIXRNIRUPWEPHS-HNNXBMFYSA-N 2 2 373.501 0.658 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815549 1194111166 /nfs/dbraw/zinc/11/11/66/1194111166.db2.gz VEBHUXFYJVKQPX-SOLBZPMBSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815549 1194111172 /nfs/dbraw/zinc/11/11/72/1194111172.db2.gz VEBHUXFYJVKQPX-SOLBZPMBSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815549 1194111179 /nfs/dbraw/zinc/11/11/79/1194111179.db2.gz VEBHUXFYJVKQPX-SOLBZPMBSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815549 1194111186 /nfs/dbraw/zinc/11/11/86/1194111186.db2.gz VEBHUXFYJVKQPX-SOLBZPMBSA-N 2 2 361.490 0.973 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815596 1194111347 /nfs/dbraw/zinc/11/13/47/1194111347.db2.gz WRVZMDMHZIXMBP-VNQPRFMTSA-N 2 2 366.462 0.871 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815596 1194111350 /nfs/dbraw/zinc/11/13/50/1194111350.db2.gz WRVZMDMHZIXMBP-VNQPRFMTSA-N 2 2 366.462 0.871 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815596 1194111352 /nfs/dbraw/zinc/11/13/52/1194111352.db2.gz WRVZMDMHZIXMBP-VNQPRFMTSA-N 2 2 366.462 0.871 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815596 1194111354 /nfs/dbraw/zinc/11/13/54/1194111354.db2.gz WRVZMDMHZIXMBP-VNQPRFMTSA-N 2 2 366.462 0.871 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231780 1194123690 /nfs/dbraw/zinc/12/36/90/1194123690.db2.gz YJOXITZOSHXYIR-KRWDZBQOSA-N 2 2 363.506 0.919 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231780 1194123694 /nfs/dbraw/zinc/12/36/94/1194123694.db2.gz YJOXITZOSHXYIR-KRWDZBQOSA-N 2 2 363.506 0.919 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524247 1194157198 /nfs/dbraw/zinc/15/71/98/1194157198.db2.gz NSECRCSUPVHSBI-BBWFWOEESA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524247 1194157203 /nfs/dbraw/zinc/15/72/03/1194157203.db2.gz NSECRCSUPVHSBI-BBWFWOEESA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524247 1194157206 /nfs/dbraw/zinc/15/72/06/1194157206.db2.gz NSECRCSUPVHSBI-BBWFWOEESA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524247 1194157209 /nfs/dbraw/zinc/15/72/09/1194157209.db2.gz NSECRCSUPVHSBI-BBWFWOEESA-N 2 2 366.506 0.033 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001218695754 1224198261 /nfs/dbraw/zinc/19/82/61/1224198261.db2.gz HJPJJYCQMRYLMN-SWLSCSKDSA-N 2 2 361.446 0.290 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000938196066 1194218372 /nfs/dbraw/zinc/21/83/72/1194218372.db2.gz UZPUWKTYQIJMEL-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029028 1194254590 /nfs/dbraw/zinc/25/45/90/1194254590.db2.gz DFXPIEBXYGPPNQ-RRQGHBQHSA-N 2 2 368.441 0.678 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076097718 1194305844 /nfs/dbraw/zinc/30/58/44/1194305844.db2.gz XFMWNMQBENEUQO-CGTJXYLNSA-N 2 2 365.437 0.907 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076105317 1194308110 /nfs/dbraw/zinc/30/81/10/1194308110.db2.gz BJDVTKKHHFJCAB-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076105317 1194308115 /nfs/dbraw/zinc/30/81/15/1194308115.db2.gz BJDVTKKHHFJCAB-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076261396 1194377913 /nfs/dbraw/zinc/37/79/13/1194377913.db2.gz GUSSONXHYRDYSR-KLZNWCGWSA-N 2 2 372.473 0.082 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076261396 1194377919 /nfs/dbraw/zinc/37/79/19/1194377919.db2.gz GUSSONXHYRDYSR-KLZNWCGWSA-N 2 2 372.473 0.082 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076262476 1194378537 /nfs/dbraw/zinc/37/85/37/1194378537.db2.gz FRIHRXBVZKEOOS-BVIKNXMNSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076262476 1194378541 /nfs/dbraw/zinc/37/85/41/1194378541.db2.gz FRIHRXBVZKEOOS-BVIKNXMNSA-N 2 2 371.485 0.679 20 0 FCADLP COC(CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)OC ZINC001276794630 1224212983 /nfs/dbraw/zinc/21/29/83/1224212983.db2.gz OYXXLUMBYPQGLD-DNVCBOLYSA-N 2 2 371.522 0.811 20 0 FCADLP COC(CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)OC ZINC001276794630 1224212991 /nfs/dbraw/zinc/21/29/91/1224212991.db2.gz OYXXLUMBYPQGLD-DNVCBOLYSA-N 2 2 371.522 0.811 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001076294275 1194386993 /nfs/dbraw/zinc/38/69/93/1194386993.db2.gz BYONLDFGVCMOSK-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC001076294275 1194386998 /nfs/dbraw/zinc/38/69/98/1194386998.db2.gz BYONLDFGVCMOSK-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP CC(C)(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076295764 1194387972 /nfs/dbraw/zinc/38/79/72/1194387972.db2.gz XLUXSWYXVZIQNT-NUEKZKHPSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076295764 1194387976 /nfs/dbraw/zinc/38/79/76/1194387976.db2.gz XLUXSWYXVZIQNT-NUEKZKHPSA-N 2 2 359.474 0.884 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457784 1194498400 /nfs/dbraw/zinc/49/84/00/1194498400.db2.gz QYYVRODONMQRSA-YESZJQIVSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457784 1194498402 /nfs/dbraw/zinc/49/84/02/1194498402.db2.gz QYYVRODONMQRSA-YESZJQIVSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457784 1194498407 /nfs/dbraw/zinc/49/84/07/1194498407.db2.gz QYYVRODONMQRSA-YESZJQIVSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457784 1194498410 /nfs/dbraw/zinc/49/84/10/1194498410.db2.gz QYYVRODONMQRSA-YESZJQIVSA-N 2 2 360.506 0.981 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076504893 1194529164 /nfs/dbraw/zinc/52/91/64/1194529164.db2.gz XIIQRXODQHMERE-HLLBOEOZSA-N 2 2 359.474 0.710 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076504893 1194529168 /nfs/dbraw/zinc/52/91/68/1194529168.db2.gz XIIQRXODQHMERE-HLLBOEOZSA-N 2 2 359.474 0.710 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001076515514 1194530241 /nfs/dbraw/zinc/53/02/41/1194530241.db2.gz CUJMHRPTLGYZMK-MAUKXSAKSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001076515514 1194530245 /nfs/dbraw/zinc/53/02/45/1194530245.db2.gz CUJMHRPTLGYZMK-MAUKXSAKSA-N 2 2 356.474 0.862 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576703 1194582488 /nfs/dbraw/zinc/58/24/88/1194582488.db2.gz WNXJMBZMJXSHOH-HYVNUMGLSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576703 1194582494 /nfs/dbraw/zinc/58/24/94/1194582494.db2.gz WNXJMBZMJXSHOH-HYVNUMGLSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)ccc1N1CCOCC1 ZINC001218874972 1224243307 /nfs/dbraw/zinc/24/33/07/1224243307.db2.gz OCOOBHWDYBHUBF-KRWDZBQOSA-N 2 2 361.490 0.521 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838790 1195044096 /nfs/dbraw/zinc/04/40/96/1195044096.db2.gz MQTHXIVVYXBWBQ-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838790 1195044099 /nfs/dbraw/zinc/04/40/99/1195044099.db2.gz MQTHXIVVYXBWBQ-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838790 1195044103 /nfs/dbraw/zinc/04/41/03/1195044103.db2.gz MQTHXIVVYXBWBQ-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838790 1195044106 /nfs/dbraw/zinc/04/41/06/1195044106.db2.gz MQTHXIVVYXBWBQ-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@@H]21 ZINC001218912718 1224257049 /nfs/dbraw/zinc/25/70/49/1224257049.db2.gz YCDRPWACEHRJAA-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccc(OC)nc3)C[C@@H]21 ZINC001218912718 1224257056 /nfs/dbraw/zinc/25/70/56/1224257056.db2.gz YCDRPWACEHRJAA-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@@H]21 ZINC001218912718 1224257062 /nfs/dbraw/zinc/25/70/62/1224257062.db2.gz YCDRPWACEHRJAA-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@@H]21 ZINC001218912718 1224257064 /nfs/dbraw/zinc/25/70/64/1224257064.db2.gz YCDRPWACEHRJAA-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001077002882 1195138705 /nfs/dbraw/zinc/13/87/05/1195138705.db2.gz KPBHHAZWPUVQTO-BZUAXINKSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001077002882 1195138712 /nfs/dbraw/zinc/13/87/12/1195138712.db2.gz KPBHHAZWPUVQTO-BZUAXINKSA-N 2 2 362.474 0.549 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)c[nH+]1 ZINC001083563312 1195220591 /nfs/dbraw/zinc/22/05/91/1195220591.db2.gz JCUOFWDTGSCPHR-OAGGEKHMSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)c[nH+]1 ZINC001083563312 1195220599 /nfs/dbraw/zinc/22/05/99/1195220599.db2.gz JCUOFWDTGSCPHR-OAGGEKHMSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)o1 ZINC001083563473 1195222940 /nfs/dbraw/zinc/22/29/40/1195222940.db2.gz RCURNWICYJFANZ-CVEARBPZSA-N 2 2 362.474 0.829 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)o1 ZINC001083563473 1195222946 /nfs/dbraw/zinc/22/29/46/1195222946.db2.gz RCURNWICYJFANZ-CVEARBPZSA-N 2 2 362.474 0.829 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127690 1195241305 /nfs/dbraw/zinc/24/13/05/1195241305.db2.gz FNMBGTIFBTUNJT-CGTJXYLNSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127690 1195241308 /nfs/dbraw/zinc/24/13/08/1195241308.db2.gz FNMBGTIFBTUNJT-CGTJXYLNSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127690 1195241313 /nfs/dbraw/zinc/24/13/13/1195241313.db2.gz FNMBGTIFBTUNJT-CGTJXYLNSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127690 1195241323 /nfs/dbraw/zinc/24/13/23/1195241323.db2.gz FNMBGTIFBTUNJT-CGTJXYLNSA-N 2 2 364.490 0.931 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083565330 1195262210 /nfs/dbraw/zinc/26/22/10/1195262210.db2.gz MIAQJRKMPKOROU-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083565330 1195262215 /nfs/dbraw/zinc/26/22/15/1195262215.db2.gz MIAQJRKMPKOROU-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083565330 1195262220 /nfs/dbraw/zinc/26/22/20/1195262220.db2.gz MIAQJRKMPKOROU-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083565330 1195262225 /nfs/dbraw/zinc/26/22/25/1195262225.db2.gz MIAQJRKMPKOROU-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)O1 ZINC001083566297 1195298376 /nfs/dbraw/zinc/29/83/76/1195298376.db2.gz CFEJDZCCEJMVIG-NKGKWGDASA-N 2 2 365.449 0.537 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)O1 ZINC001083566297 1195298384 /nfs/dbraw/zinc/29/83/84/1195298384.db2.gz CFEJDZCCEJMVIG-NKGKWGDASA-N 2 2 365.449 0.537 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@H]2O)O1 ZINC001083566297 1195298390 /nfs/dbraw/zinc/29/83/90/1195298390.db2.gz CFEJDZCCEJMVIG-NKGKWGDASA-N 2 2 365.449 0.537 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@H]2O)O1 ZINC001083566297 1195298398 /nfs/dbraw/zinc/29/83/98/1195298398.db2.gz CFEJDZCCEJMVIG-NKGKWGDASA-N 2 2 365.449 0.537 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566406 1195299628 /nfs/dbraw/zinc/29/96/28/1195299628.db2.gz ILGVXCZJEUXUMO-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566406 1195299633 /nfs/dbraw/zinc/29/96/33/1195299633.db2.gz ILGVXCZJEUXUMO-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566406 1195299640 /nfs/dbraw/zinc/29/96/40/1195299640.db2.gz ILGVXCZJEUXUMO-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)c1 ZINC001083566406 1195299646 /nfs/dbraw/zinc/29/96/46/1195299646.db2.gz ILGVXCZJEUXUMO-DQEVTTJGSA-N 2 2 361.486 0.629 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077218041 1195327439 /nfs/dbraw/zinc/32/74/39/1195327439.db2.gz OFSSOMIIZQNLGU-GVDBMIGSSA-N 2 2 364.490 0.905 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)c[nH+]1 ZINC001077218041 1195327444 /nfs/dbraw/zinc/32/74/44/1195327444.db2.gz OFSSOMIIZQNLGU-GVDBMIGSSA-N 2 2 364.490 0.905 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965239 1224273223 /nfs/dbraw/zinc/27/32/23/1224273223.db2.gz ICJQEKQQNBPLMK-OWCLPIDISA-N 2 2 364.490 0.038 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965239 1224273227 /nfs/dbraw/zinc/27/32/27/1224273227.db2.gz ICJQEKQQNBPLMK-OWCLPIDISA-N 2 2 364.490 0.038 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001077232567 1195335793 /nfs/dbraw/zinc/33/57/93/1195335793.db2.gz WXRJQXAGDSKVMM-IAGOWNOFSA-N 2 2 369.429 0.246 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001077232567 1195335796 /nfs/dbraw/zinc/33/57/96/1195335796.db2.gz WXRJQXAGDSKVMM-IAGOWNOFSA-N 2 2 369.429 0.246 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233272 1195341802 /nfs/dbraw/zinc/34/18/02/1195341802.db2.gz SBQVCUYCCHRASV-IAGOWNOFSA-N 2 2 371.441 0.350 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233272 1195341807 /nfs/dbraw/zinc/34/18/07/1195341807.db2.gz SBQVCUYCCHRASV-IAGOWNOFSA-N 2 2 371.441 0.350 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077232946 1195342138 /nfs/dbraw/zinc/34/21/38/1195342138.db2.gz GIAUPFUSACHZDA-CSMYWGQOSA-N 2 2 371.441 0.254 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001077232776 1195342192 /nfs/dbraw/zinc/34/21/92/1195342192.db2.gz BWZGTCARLFTTKG-QZTJIDSGSA-N 2 2 368.441 0.797 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001077232776 1195342194 /nfs/dbraw/zinc/34/21/94/1195342194.db2.gz BWZGTCARLFTTKG-QZTJIDSGSA-N 2 2 368.441 0.797 20 0 FCADLP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)n1cc[nH+]c1 ZINC001691633622 1195343169 /nfs/dbraw/zinc/34/31/69/1195343169.db2.gz HDGIGZHSUGZJRS-OWCLPIDISA-N 2 2 362.478 0.734 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236828 1195344623 /nfs/dbraw/zinc/34/46/23/1195344623.db2.gz SIEBZWCQEOTQFP-IXDOHACOSA-N 2 2 359.430 0.368 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236828 1195344627 /nfs/dbraw/zinc/34/46/27/1195344627.db2.gz SIEBZWCQEOTQFP-IXDOHACOSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236828 1195344633 /nfs/dbraw/zinc/34/46/33/1195344633.db2.gz SIEBZWCQEOTQFP-IXDOHACOSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236828 1195344639 /nfs/dbraw/zinc/34/46/39/1195344639.db2.gz SIEBZWCQEOTQFP-IXDOHACOSA-N 2 2 359.430 0.368 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366699 1195466561 /nfs/dbraw/zinc/46/65/61/1195466561.db2.gz WBCCFKNWVRSGIX-QZTJIDSGSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001077366699 1195466565 /nfs/dbraw/zinc/46/65/65/1195466565.db2.gz WBCCFKNWVRSGIX-QZTJIDSGSA-N 2 2 371.441 0.611 20 0 FCADLP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CCO1 ZINC001691634489 1195483737 /nfs/dbraw/zinc/48/37/37/1195483737.db2.gz UOSCHCGZPJZWSM-SOUVJXGZSA-N 2 2 363.462 0.074 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003110 1224284342 /nfs/dbraw/zinc/28/43/42/1224284342.db2.gz UMYOEHVLGUCDSB-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003110 1224284350 /nfs/dbraw/zinc/28/43/50/1224284350.db2.gz UMYOEHVLGUCDSB-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001219010480 1224289305 /nfs/dbraw/zinc/28/93/05/1224289305.db2.gz SRGNJGFOGIYTSE-ZWKOTPCHSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001219010480 1224289311 /nfs/dbraw/zinc/28/93/11/1224289311.db2.gz SRGNJGFOGIYTSE-ZWKOTPCHSA-N 2 2 362.474 0.989 20 0 FCADLP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000904359591 1195534264 /nfs/dbraw/zinc/53/42/64/1195534264.db2.gz CHVALIDKAXWJIW-QZTJIDSGSA-N 2 2 370.457 0.962 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591314 1195588928 /nfs/dbraw/zinc/58/89/28/1195588928.db2.gz XFRABGNTLBERCK-SJORKVTESA-N 2 2 354.414 0.351 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591314 1195588932 /nfs/dbraw/zinc/58/89/32/1195588932.db2.gz XFRABGNTLBERCK-SJORKVTESA-N 2 2 354.414 0.351 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cc1=O ZINC001083606555 1195681585 /nfs/dbraw/zinc/68/15/85/1195681585.db2.gz DKVVUNKNWBVJEG-SJORKVTESA-N 2 2 367.409 0.008 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)cc1=O ZINC001083606555 1195681591 /nfs/dbraw/zinc/68/15/91/1195681591.db2.gz DKVVUNKNWBVJEG-SJORKVTESA-N 2 2 367.409 0.008 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000907456292 1195696989 /nfs/dbraw/zinc/69/69/89/1195696989.db2.gz NCPUCRSZBKUTGY-UHFFFAOYSA-N 2 2 367.582 0.935 20 0 FCADLP O=C(N[C@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123739 1195728485 /nfs/dbraw/zinc/72/84/85/1195728485.db2.gz ZJZLQUUJFAFKJX-DEICHXMPSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123739 1195728492 /nfs/dbraw/zinc/72/84/92/1195728492.db2.gz ZJZLQUUJFAFKJX-DEICHXMPSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000991123739 1195728498 /nfs/dbraw/zinc/72/84/98/1195728498.db2.gz ZJZLQUUJFAFKJX-DEICHXMPSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O)NCC[NH+]1CCCCC1 ZINC000909315752 1195790952 /nfs/dbraw/zinc/79/09/52/1195790952.db2.gz QCENOIGQYXBCSW-UHFFFAOYSA-N 2 2 371.441 0.910 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001219033251 1224306312 /nfs/dbraw/zinc/30/63/12/1224306312.db2.gz GCXMZMDQXHVZNR-OKZBNKHCSA-N 2 2 367.490 0.189 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC001219033251 1224306323 /nfs/dbraw/zinc/30/63/23/1224306323.db2.gz GCXMZMDQXHVZNR-OKZBNKHCSA-N 2 2 367.490 0.189 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000910999615 1195876751 /nfs/dbraw/zinc/87/67/51/1195876751.db2.gz NBYCHKWOQCDMJF-MRXNPFEDSA-N 2 2 374.485 0.332 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000911068579 1195885706 /nfs/dbraw/zinc/88/57/06/1195885706.db2.gz YESLLJBNPXGWEB-FGTMMUONSA-N 2 2 374.485 0.200 20 0 FCADLP NC(=O)C1CCN(c2ccccc2NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001219087478 1224347864 /nfs/dbraw/zinc/34/78/64/1224347864.db2.gz GGAJAORZWLMRNN-LPMFXHHGSA-N 2 2 357.458 0.549 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(N(C)C)[nH+]1 ZINC000157317187 1196516474 /nfs/dbraw/zinc/51/64/74/1196516474.db2.gz ZQWPTRKMOZMPHO-AWEZNQCLSA-N 2 2 362.478 0.147 20 0 FCADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001030328720 1196679803 /nfs/dbraw/zinc/67/98/03/1196679803.db2.gz AUQYNWAFNZSYLZ-MSOLQXFVSA-N 2 2 361.490 0.467 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)[C@@H]2C)C1 ZINC001088859836 1196805435 /nfs/dbraw/zinc/80/54/35/1196805435.db2.gz NZSPPVAOTCQCTH-INMHGKMJSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)[C@@H]2C)C1 ZINC001088859836 1196805438 /nfs/dbraw/zinc/80/54/38/1196805438.db2.gz NZSPPVAOTCQCTH-INMHGKMJSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)[C@@H]2C)C1 ZINC001088859836 1196805440 /nfs/dbraw/zinc/80/54/40/1196805440.db2.gz NZSPPVAOTCQCTH-INMHGKMJSA-N 2 2 366.506 0.202 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)ccn12 ZINC000991847584 1196808652 /nfs/dbraw/zinc/80/86/52/1196808652.db2.gz MIZLXAWOAQBHQX-CZUORRHYSA-N 2 2 355.442 0.924 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)ccn12 ZINC000991847584 1196808657 /nfs/dbraw/zinc/80/86/57/1196808657.db2.gz MIZLXAWOAQBHQX-CZUORRHYSA-N 2 2 355.442 0.924 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001083677187 1196810804 /nfs/dbraw/zinc/81/08/04/1196810804.db2.gz HMJYBSXMZALENT-QGTPRVQTSA-N 2 2 356.426 0.684 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001083677187 1196810809 /nfs/dbraw/zinc/81/08/09/1196810809.db2.gz HMJYBSXMZALENT-QGTPRVQTSA-N 2 2 356.426 0.684 20 0 FCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064807 1196821022 /nfs/dbraw/zinc/82/10/22/1196821022.db2.gz IVDJYFJKFFJPPZ-OAGGEKHMSA-N 2 2 368.478 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1noc2c1COCC2 ZINC001088983732 1196856450 /nfs/dbraw/zinc/85/64/50/1196856450.db2.gz LSEPPPUHHAVTDO-HIFRSBDPSA-N 2 2 360.458 0.922 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1noc2c1COCC2 ZINC001088983732 1196856451 /nfs/dbraw/zinc/85/64/51/1196856451.db2.gz LSEPPPUHHAVTDO-HIFRSBDPSA-N 2 2 360.458 0.922 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992308410 1197057860 /nfs/dbraw/zinc/05/78/60/1197057860.db2.gz BVIBKWLSWCFIFZ-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000992308410 1197057862 /nfs/dbraw/zinc/05/78/62/1197057862.db2.gz BVIBKWLSWCFIFZ-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992308410 1197057867 /nfs/dbraw/zinc/05/78/67/1197057867.db2.gz BVIBKWLSWCFIFZ-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992308410 1197057871 /nfs/dbraw/zinc/05/78/71/1197057871.db2.gz BVIBKWLSWCFIFZ-OIISXLGYSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)C2 ZINC000992318685 1197066326 /nfs/dbraw/zinc/06/63/26/1197066326.db2.gz NBZRTPKZLWSPQC-UXIGCNINSA-N 2 2 359.474 0.490 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)C2 ZINC000992318685 1197066330 /nfs/dbraw/zinc/06/63/30/1197066330.db2.gz NBZRTPKZLWSPQC-UXIGCNINSA-N 2 2 359.474 0.490 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)CC2 ZINC000992318685 1197066333 /nfs/dbraw/zinc/06/63/33/1197066333.db2.gz NBZRTPKZLWSPQC-UXIGCNINSA-N 2 2 359.474 0.490 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)CC2 ZINC000992318685 1197066338 /nfs/dbraw/zinc/06/63/38/1197066338.db2.gz NBZRTPKZLWSPQC-UXIGCNINSA-N 2 2 359.474 0.490 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001272459953 1197087717 /nfs/dbraw/zinc/08/77/17/1197087717.db2.gz QZLFHWWENMGDPZ-IXDOHACOSA-N 2 2 358.446 0.510 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001272459953 1197087723 /nfs/dbraw/zinc/08/77/23/1197087723.db2.gz QZLFHWWENMGDPZ-IXDOHACOSA-N 2 2 358.446 0.510 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH+]ccc3OC)C2)CC[N@@H+]1C ZINC000992399360 1197088065 /nfs/dbraw/zinc/08/80/65/1197088065.db2.gz IMDMERHYMAPDKT-JKSUJKDBSA-N 2 2 360.458 0.690 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH+]ccc3OC)C2)CC[N@H+]1C ZINC000992399360 1197088070 /nfs/dbraw/zinc/08/80/70/1197088070.db2.gz IMDMERHYMAPDKT-JKSUJKDBSA-N 2 2 360.458 0.690 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001272467991 1197104562 /nfs/dbraw/zinc/10/45/62/1197104562.db2.gz TXZGOUKNBLNQDP-JYJNAYRXSA-N 2 2 357.414 0.393 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(=O)[nH]1 ZINC001272467991 1197104567 /nfs/dbraw/zinc/10/45/67/1197104567.db2.gz TXZGOUKNBLNQDP-JYJNAYRXSA-N 2 2 357.414 0.393 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000913736559 1197119789 /nfs/dbraw/zinc/11/97/89/1197119789.db2.gz RRUUTERLZDBTDS-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000913736559 1197119796 /nfs/dbraw/zinc/11/97/96/1197119796.db2.gz RRUUTERLZDBTDS-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000913736559 1197119805 /nfs/dbraw/zinc/11/98/05/1197119805.db2.gz RRUUTERLZDBTDS-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000913736559 1197119809 /nfs/dbraw/zinc/11/98/09/1197119809.db2.gz RRUUTERLZDBTDS-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000992686665 1197302037 /nfs/dbraw/zinc/30/20/37/1197302037.db2.gz IQWZZNAZBURILH-VCBZYWHSSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000992686665 1197302040 /nfs/dbraw/zinc/30/20/40/1197302040.db2.gz IQWZZNAZBURILH-VCBZYWHSSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC000992990469 1197646941 /nfs/dbraw/zinc/64/69/41/1197646941.db2.gz FNWRBTMEGFDWFY-NLDJYOPPSA-N 2 2 373.501 0.908 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC000992990469 1197646950 /nfs/dbraw/zinc/64/69/50/1197646950.db2.gz FNWRBTMEGFDWFY-NLDJYOPPSA-N 2 2 373.501 0.908 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993039192 1197722848 /nfs/dbraw/zinc/72/28/48/1197722848.db2.gz YZHBXHQJTFFWHG-LJHODMEESA-N 2 2 361.490 0.845 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248466 1197745370 /nfs/dbraw/zinc/74/53/70/1197745370.db2.gz LJWVRPMSSDYLRK-DJIMGWMZSA-N 2 2 357.462 0.754 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC001085250191 1197746868 /nfs/dbraw/zinc/74/68/68/1197746868.db2.gz JMNYCVHNGMVODZ-KBRIMQKVSA-N 2 2 357.462 0.791 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC001085250190 1197747887 /nfs/dbraw/zinc/74/78/87/1197747887.db2.gz JMNYCVHNGMVODZ-IAOVAPTHSA-N 2 2 357.462 0.791 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085249769 1197748258 /nfs/dbraw/zinc/74/82/58/1197748258.db2.gz QPAJVESSLMVISQ-NUEKZKHPSA-N 2 2 357.462 0.791 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085250586 1197750142 /nfs/dbraw/zinc/75/01/42/1197750142.db2.gz ZQZSHZUWTQSBNW-BZUAXINKSA-N 2 2 357.462 0.754 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)ccc2c[nH+]cn21 ZINC001085253537 1197753933 /nfs/dbraw/zinc/75/39/33/1197753933.db2.gz UDOWVJVQAVZVAG-HZPDHXFCSA-N 2 2 368.445 0.997 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)o1 ZINC001083723709 1197756416 /nfs/dbraw/zinc/75/64/16/1197756416.db2.gz XJYXNBGFIWXVLL-HLLBOEOZSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)o1 ZINC001083723709 1197756435 /nfs/dbraw/zinc/75/64/35/1197756435.db2.gz XJYXNBGFIWXVLL-HLLBOEOZSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)o1 ZINC001083723709 1197756450 /nfs/dbraw/zinc/75/64/50/1197756450.db2.gz XJYXNBGFIWXVLL-HLLBOEOZSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)o1 ZINC001083723709 1197756469 /nfs/dbraw/zinc/75/64/69/1197756469.db2.gz XJYXNBGFIWXVLL-HLLBOEOZSA-N 2 2 366.462 0.062 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2c[nH+]cc2C)n1 ZINC001085274614 1197781452 /nfs/dbraw/zinc/78/14/52/1197781452.db2.gz OZDNKVVTQQBJRF-ZIAGYGMSSA-N 2 2 362.434 0.938 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993069981 1197784130 /nfs/dbraw/zinc/78/41/30/1197784130.db2.gz BAWMPORHUQQHMP-CLCXKQKWSA-N 2 2 361.490 0.989 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1)[NH+](C)C ZINC000993070075 1197784859 /nfs/dbraw/zinc/78/48/59/1197784859.db2.gz CPUNQMOXSPENGW-OGWOLHLISA-N 2 2 361.490 0.610 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993079571 1197804858 /nfs/dbraw/zinc/80/48/58/1197804858.db2.gz CJMNONHDMNXCMV-MAUKXSAKSA-N 2 2 356.430 0.395 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085308997 1197810985 /nfs/dbraw/zinc/81/09/85/1197810985.db2.gz SNLDGTJNTIFOGZ-ZACQAIPSSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085308997 1197810988 /nfs/dbraw/zinc/81/09/88/1197810988.db2.gz SNLDGTJNTIFOGZ-ZACQAIPSSA-N 2 2 364.494 0.441 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001085374843 1197850602 /nfs/dbraw/zinc/85/06/02/1197850602.db2.gz LTGJGVYSKKUMDM-ZIAGYGMSSA-N 2 2 369.429 0.505 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106333526 1197869216 /nfs/dbraw/zinc/86/92/16/1197869216.db2.gz LNDVGRZQNJELEN-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106333790 1197869264 /nfs/dbraw/zinc/86/92/64/1197869264.db2.gz RFOGHHRSENDIKW-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342768 1197870877 /nfs/dbraw/zinc/87/08/77/1197870877.db2.gz CVDIWXRGDUUGDQ-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343146 1197872245 /nfs/dbraw/zinc/87/22/45/1197872245.db2.gz RHKMFPOKGCOAOQ-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993156558 1197898153 /nfs/dbraw/zinc/89/81/53/1197898153.db2.gz NUPJMCVIQWYWBQ-KDOFPFPSSA-N 2 2 357.458 0.355 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106419269 1197911618 /nfs/dbraw/zinc/91/16/18/1197911618.db2.gz BRXCRGWZJCIEOW-ZIAGYGMSSA-N 2 2 355.442 0.911 20 0 FCADLP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106462289 1197942140 /nfs/dbraw/zinc/94/21/40/1197942140.db2.gz ZPORKADHCRTNFE-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106474456 1197957808 /nfs/dbraw/zinc/95/78/08/1197957808.db2.gz NDCBMBJKUWMSDD-ZACQAIPSSA-N 2 2 368.522 0.260 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106474456 1197957812 /nfs/dbraw/zinc/95/78/12/1197957812.db2.gz NDCBMBJKUWMSDD-ZACQAIPSSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001085604301 1197957968 /nfs/dbraw/zinc/95/79/68/1197957968.db2.gz CUINWIGEKLEJQA-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001085604301 1197957970 /nfs/dbraw/zinc/95/79/70/1197957970.db2.gz CUINWIGEKLEJQA-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001085604301 1197957973 /nfs/dbraw/zinc/95/79/73/1197957973.db2.gz CUINWIGEKLEJQA-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001085604301 1197957976 /nfs/dbraw/zinc/95/79/76/1197957976.db2.gz CUINWIGEKLEJQA-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273383955 1198075816 /nfs/dbraw/zinc/07/58/16/1198075816.db2.gz DQAWBBMAXGEUJE-QFBILLFUSA-N 2 2 359.474 0.854 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273383955 1198075825 /nfs/dbraw/zinc/07/58/25/1198075825.db2.gz DQAWBBMAXGEUJE-QFBILLFUSA-N 2 2 359.474 0.854 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001086112236 1198176319 /nfs/dbraw/zinc/17/63/19/1198176319.db2.gz YVJKEJRKQGOZBX-QKPAOTATSA-N 2 2 357.462 0.906 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001086112236 1198176325 /nfs/dbraw/zinc/17/63/25/1198176325.db2.gz YVJKEJRKQGOZBX-QKPAOTATSA-N 2 2 357.462 0.906 20 0 FCADLP 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O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392303 1198345581 /nfs/dbraw/zinc/34/55/81/1198345581.db2.gz HJODWXXHMGNKEN-AAVRWANBSA-N 2 2 359.430 0.147 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219543651 1224504898 /nfs/dbraw/zinc/50/48/98/1224504898.db2.gz OTKRUKAJXHJOKG-ZACQAIPSSA-N 2 2 358.442 0.107 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219543651 1224504903 /nfs/dbraw/zinc/50/49/03/1224504903.db2.gz OTKRUKAJXHJOKG-ZACQAIPSSA-N 2 2 358.442 0.107 20 0 FCADLP COc1ccc2c(C[C@H]([NH3+])C(=O)NCCn3cc[nH+]c3)cc(=O)oc2c1 ZINC001219563652 1224511444 /nfs/dbraw/zinc/51/14/44/1224511444.db2.gz FWYQBBFSTWWNJE-HNNXBMFYSA-N 2 2 356.382 0.684 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794297 1198945866 /nfs/dbraw/zinc/94/58/66/1198945866.db2.gz YORLYWIAYYPZJO-QZTJIDSGSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794297 1198945869 /nfs/dbraw/zinc/94/58/69/1198945869.db2.gz YORLYWIAYYPZJO-QZTJIDSGSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000745794297 1198945875 /nfs/dbraw/zinc/94/58/75/1198945875.db2.gz YORLYWIAYYPZJO-QZTJIDSGSA-N 3 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000745794297 1198945879 /nfs/dbraw/zinc/94/58/79/1198945879.db2.gz YORLYWIAYYPZJO-QZTJIDSGSA-N 3 2 369.554 0.765 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001086482509 1198956416 /nfs/dbraw/zinc/95/64/16/1198956416.db2.gz IYWHIUKYIPSQBB-RRCSTGOVSA-N 2 2 357.462 0.820 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086482095 1198956464 /nfs/dbraw/zinc/95/64/64/1198956464.db2.gz NDRMYSXFKIKUJH-KBUPBQIOSA-N 2 2 357.462 0.820 20 0 FCADLP COCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000192469987 1199004172 /nfs/dbraw/zinc/00/41/72/1199004172.db2.gz HVTATAGAMLOFJV-UHFFFAOYSA-N 2 2 374.529 0.903 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109218632 1200113191 /nfs/dbraw/zinc/11/31/91/1200113191.db2.gz PLSYUMOPWMBAPK-RDBSUJKOSA-N 2 2 359.430 0.213 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109218632 1200113194 /nfs/dbraw/zinc/11/31/94/1200113194.db2.gz PLSYUMOPWMBAPK-RDBSUJKOSA-N 2 2 359.430 0.213 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CCOCCO)ccn12 ZINC001109285606 1200145074 /nfs/dbraw/zinc/14/50/74/1200145074.db2.gz OZJGIAMQVXQNOK-IKGGRYGDSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CCOCCO)ccn12 ZINC001109285606 1200145079 /nfs/dbraw/zinc/14/50/79/1200145079.db2.gz OZJGIAMQVXQNOK-IKGGRYGDSA-N 2 2 358.442 0.987 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001109386261 1200236715 /nfs/dbraw/zinc/23/67/15/1200236715.db2.gz SSNADZYKVCILAS-WCVJEAGWSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001109386261 1200236731 /nfs/dbraw/zinc/23/67/31/1200236731.db2.gz SSNADZYKVCILAS-WCVJEAGWSA-N 2 2 355.446 0.843 20 0 FCADLP CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109397460 1200244363 /nfs/dbraw/zinc/24/43/63/1200244363.db2.gz CBWQPABJDXUNJF-VSZNYVQBSA-N 2 2 363.506 0.960 20 0 FCADLP CC(C)OCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109397460 1200244370 /nfs/dbraw/zinc/24/43/70/1200244370.db2.gz CBWQPABJDXUNJF-VSZNYVQBSA-N 2 2 363.506 0.960 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109399217 1200248567 /nfs/dbraw/zinc/24/85/67/1200248567.db2.gz CGDFDGACEYKKJG-KBXIAJHMSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109399217 1200248573 /nfs/dbraw/zinc/24/85/73/1200248573.db2.gz CGDFDGACEYKKJG-KBXIAJHMSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109399217 1200248582 /nfs/dbraw/zinc/24/85/82/1200248582.db2.gz CGDFDGACEYKKJG-KBXIAJHMSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109399217 1200248593 /nfs/dbraw/zinc/24/85/93/1200248593.db2.gz CGDFDGACEYKKJG-KBXIAJHMSA-N 2 2 365.478 0.166 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001109525403 1200363557 /nfs/dbraw/zinc/36/35/57/1200363557.db2.gz BWCFINFXJSDRIW-IKGGRYGDSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001109525403 1200363563 /nfs/dbraw/zinc/36/35/63/1200363563.db2.gz BWCFINFXJSDRIW-IKGGRYGDSA-N 2 2 359.474 0.781 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)CCCC1 ZINC001109565650 1200392194 /nfs/dbraw/zinc/39/21/94/1200392194.db2.gz XBFZEBAZVHLRQT-RDBSUJKOSA-N 2 2 365.478 0.167 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)CCCC1 ZINC001109565650 1200392205 /nfs/dbraw/zinc/39/22/05/1200392205.db2.gz XBFZEBAZVHLRQT-RDBSUJKOSA-N 2 2 365.478 0.167 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001109581421 1200401204 /nfs/dbraw/zinc/40/12/04/1200401204.db2.gz YWAUMVBHDYMRRN-UGUYLWEFSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001109581421 1200401209 /nfs/dbraw/zinc/40/12/09/1200401209.db2.gz YWAUMVBHDYMRRN-UGUYLWEFSA-N 2 2 355.446 0.774 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109651406 1200443129 /nfs/dbraw/zinc/44/31/29/1200443129.db2.gz ZGCJKVPAAADSIK-LMSBXDPUSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109651406 1200443138 /nfs/dbraw/zinc/44/31/38/1200443138.db2.gz ZGCJKVPAAADSIK-LMSBXDPUSA-N 2 2 373.501 0.954 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686625 1200463978 /nfs/dbraw/zinc/46/39/78/1200463978.db2.gz AHPVRBPMIQHOJX-ORIJERBGSA-N 2 2 367.494 0.140 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686625 1200463983 /nfs/dbraw/zinc/46/39/83/1200463983.db2.gz AHPVRBPMIQHOJX-ORIJERBGSA-N 2 2 367.494 0.140 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NCC[C@H]1C[NH2+]Cc3cccn3C1)C[NH2+]C2 ZINC001219787642 1224613342 /nfs/dbraw/zinc/61/33/42/1224613342.db2.gz IREOSBHWVLIJFN-DZGCQCFKSA-N 2 2 357.462 0.212 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796466 1224616594 /nfs/dbraw/zinc/61/65/94/1224616594.db2.gz BQYBYYKDCZDGMG-BBWFWOEESA-N 2 2 368.522 0.277 20 0 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FCADLP Cc1nn(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847966 1200560443 /nfs/dbraw/zinc/56/04/43/1200560443.db2.gz PIYIALWURGWFIL-SQNIBIBYSA-N 2 2 361.490 0.672 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847966 1200560448 /nfs/dbraw/zinc/56/04/48/1200560448.db2.gz PIYIALWURGWFIL-SQNIBIBYSA-N 2 2 361.490 0.672 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847847 1200560715 /nfs/dbraw/zinc/56/07/15/1200560715.db2.gz JXXDWSUISSBDMY-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847847 1200560718 /nfs/dbraw/zinc/56/07/18/1200560718.db2.gz JXXDWSUISSBDMY-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)ncn1 ZINC001109848120 1200561636 /nfs/dbraw/zinc/56/16/36/1200561636.db2.gz XNKLGWCCCQLGDB-SQNIBIBYSA-N 2 2 359.474 0.729 20 0 FCADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)ncn1 ZINC001109848120 1200561639 /nfs/dbraw/zinc/56/16/39/1200561639.db2.gz XNKLGWCCCQLGDB-SQNIBIBYSA-N 2 2 359.474 0.729 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798814 1224618663 /nfs/dbraw/zinc/61/86/63/1224618663.db2.gz VCHRICSYWCMXER-BMFZPTHFSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798814 1224618667 /nfs/dbraw/zinc/61/86/67/1224618667.db2.gz VCHRICSYWCMXER-BMFZPTHFSA-N 2 2 366.506 0.079 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001109864756 1200573956 /nfs/dbraw/zinc/57/39/56/1200573956.db2.gz SPCSACYMQRVMIR-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001109864756 1200573960 /nfs/dbraw/zinc/57/39/60/1200573960.db2.gz SPCSACYMQRVMIR-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902717 1200602173 /nfs/dbraw/zinc/60/21/73/1200602173.db2.gz XUHCEJOEZYVMQY-COXVUDFISA-N 2 2 362.478 0.147 20 0 FCADLP Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902717 1200602181 /nfs/dbraw/zinc/60/21/81/1200602181.db2.gz XUHCEJOEZYVMQY-COXVUDFISA-N 2 2 362.478 0.147 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001109928198 1200615080 /nfs/dbraw/zinc/61/50/80/1200615080.db2.gz LPDRDNGFNIWZBG-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001109928198 1200615086 /nfs/dbraw/zinc/61/50/86/1200615086.db2.gz LPDRDNGFNIWZBG-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001109928198 1200615093 /nfs/dbraw/zinc/61/50/93/1200615093.db2.gz LPDRDNGFNIWZBG-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001109928198 1200615097 /nfs/dbraw/zinc/61/50/97/1200615097.db2.gz LPDRDNGFNIWZBG-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1F ZINC001219803799 1224622267 /nfs/dbraw/zinc/62/22/67/1224622267.db2.gz GHZXDQLGBRDJIT-RYRKJORJSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)cc1F ZINC001219803799 1224622274 /nfs/dbraw/zinc/62/22/74/1224622274.db2.gz GHZXDQLGBRDJIT-RYRKJORJSA-N 2 2 365.449 0.836 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977405 1200659925 /nfs/dbraw/zinc/65/99/25/1200659925.db2.gz IBAGATGKRZLOCX-PMPSAXMXSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977405 1200659928 /nfs/dbraw/zinc/65/99/28/1200659928.db2.gz IBAGATGKRZLOCX-PMPSAXMXSA-N 2 2 364.494 0.406 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109980841 1200665714 /nfs/dbraw/zinc/66/57/14/1200665714.db2.gz CKHRCLYJPGLHRE-IKGGRYGDSA-N 2 2 360.502 0.672 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109980841 1200665719 /nfs/dbraw/zinc/66/57/19/1200665719.db2.gz CKHRCLYJPGLHRE-IKGGRYGDSA-N 2 2 360.502 0.672 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110020515 1200711418 /nfs/dbraw/zinc/71/14/18/1200711418.db2.gz GLJSSOHSTMQLFM-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110020515 1200711422 /nfs/dbraw/zinc/71/14/22/1200711422.db2.gz GLJSSOHSTMQLFM-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110020515 1200711424 /nfs/dbraw/zinc/71/14/24/1200711424.db2.gz GLJSSOHSTMQLFM-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110020515 1200711429 /nfs/dbraw/zinc/71/14/29/1200711429.db2.gz GLJSSOHSTMQLFM-YVSFHVDLSA-N 2 2 366.506 0.297 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110052041 1200737388 /nfs/dbraw/zinc/73/73/88/1200737388.db2.gz GRJASACEKOFNRK-KBMXLJTQSA-N 2 2 373.457 0.223 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001110052041 1200737394 /nfs/dbraw/zinc/73/73/94/1200737394.db2.gz GRJASACEKOFNRK-KBMXLJTQSA-N 2 2 373.457 0.223 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815995 1224630958 /nfs/dbraw/zinc/63/09/58/1224630958.db2.gz UKKURUXGFBLQKQ-SQNIBIBYSA-N 2 2 365.449 0.505 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815995 1224630962 /nfs/dbraw/zinc/63/09/62/1224630962.db2.gz UKKURUXGFBLQKQ-SQNIBIBYSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815995 1224630964 /nfs/dbraw/zinc/63/09/64/1224630964.db2.gz UKKURUXGFBLQKQ-SQNIBIBYSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815995 1224630969 /nfs/dbraw/zinc/63/09/69/1224630969.db2.gz UKKURUXGFBLQKQ-SQNIBIBYSA-N 2 2 365.449 0.505 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660948 1200786309 /nfs/dbraw/zinc/78/63/09/1200786309.db2.gz LKYHCZPHMUMXGF-DLBZAZTESA-N 2 2 367.490 0.585 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660948 1200786314 /nfs/dbraw/zinc/78/63/14/1200786314.db2.gz LKYHCZPHMUMXGF-DLBZAZTESA-N 2 2 367.490 0.585 20 0 FCADLP CC[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2)C(N)=O ZINC001112572004 1200803666 /nfs/dbraw/zinc/80/36/66/1200803666.db2.gz ZHYYGDKBPZHMMF-QOKNQOGYSA-N 2 2 361.490 0.835 20 0 FCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000787938670 1200926900 /nfs/dbraw/zinc/92/69/00/1200926900.db2.gz GYPPCOPYCOEEKP-OAHLLOKOSA-N 2 2 364.490 0.811 20 0 FCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000787938670 1200926912 /nfs/dbraw/zinc/92/69/12/1200926912.db2.gz GYPPCOPYCOEEKP-OAHLLOKOSA-N 2 2 364.490 0.811 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579074 1201022761 /nfs/dbraw/zinc/02/27/61/1201022761.db2.gz KZOPXRWFYCESJC-OTWHNJEPSA-N 2 2 370.497 0.897 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579074 1201022767 /nfs/dbraw/zinc/02/27/67/1201022767.db2.gz KZOPXRWFYCESJC-OTWHNJEPSA-N 2 2 370.497 0.897 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579074 1201022775 /nfs/dbraw/zinc/02/27/75/1201022775.db2.gz KZOPXRWFYCESJC-OTWHNJEPSA-N 2 2 370.497 0.897 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086579074 1201022784 /nfs/dbraw/zinc/02/27/84/1201022784.db2.gz KZOPXRWFYCESJC-OTWHNJEPSA-N 2 2 370.497 0.897 20 0 FCADLP NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086594684 1201127655 /nfs/dbraw/zinc/12/76/55/1201127655.db2.gz NSYYIXDYYGZKEE-ZWKOTPCHSA-N 2 2 370.497 0.932 20 0 FCADLP NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086594684 1201127660 /nfs/dbraw/zinc/12/76/60/1201127660.db2.gz NSYYIXDYYGZKEE-ZWKOTPCHSA-N 2 2 370.497 0.932 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000793711851 1201254602 /nfs/dbraw/zinc/25/46/02/1201254602.db2.gz YMPNCAFWLDTYQK-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccccc2)C1 ZINC001110101593 1201262949 /nfs/dbraw/zinc/26/29/49/1201262949.db2.gz VVKPUGIBGHZSAO-RDGPPVDQSA-N 2 2 370.497 0.976 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccccc2)C1 ZINC001110101593 1201262954 /nfs/dbraw/zinc/26/29/54/1201262954.db2.gz VVKPUGIBGHZSAO-RDGPPVDQSA-N 2 2 370.497 0.976 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccccc2)C1 ZINC001110101593 1201262957 /nfs/dbraw/zinc/26/29/57/1201262957.db2.gz VVKPUGIBGHZSAO-RDGPPVDQSA-N 2 2 370.497 0.976 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccccc2)C1 ZINC001110101593 1201262965 /nfs/dbraw/zinc/26/29/65/1201262965.db2.gz VVKPUGIBGHZSAO-RDGPPVDQSA-N 2 2 370.497 0.976 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccccc2)C1 ZINC001110101594 1201263106 /nfs/dbraw/zinc/26/31/06/1201263106.db2.gz VVKPUGIBGHZSAO-YRXWBPOGSA-N 2 2 370.497 0.976 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccccc2)C1 ZINC001110101594 1201263110 /nfs/dbraw/zinc/26/31/10/1201263110.db2.gz VVKPUGIBGHZSAO-YRXWBPOGSA-N 2 2 370.497 0.976 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccccc2)C1 ZINC001110101594 1201263113 /nfs/dbraw/zinc/26/31/13/1201263113.db2.gz VVKPUGIBGHZSAO-YRXWBPOGSA-N 2 2 370.497 0.976 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccccc2)C1 ZINC001110101594 1201263117 /nfs/dbraw/zinc/26/31/17/1201263117.db2.gz VVKPUGIBGHZSAO-YRXWBPOGSA-N 2 2 370.497 0.976 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101826 1201285986 /nfs/dbraw/zinc/28/59/86/1201285986.db2.gz HATUVJGHFRDZEM-PMPSAXMXSA-N 2 2 365.522 0.901 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110101826 1201285988 /nfs/dbraw/zinc/28/59/88/1201285988.db2.gz HATUVJGHFRDZEM-PMPSAXMXSA-N 2 2 365.522 0.901 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001219868960 1224663263 /nfs/dbraw/zinc/66/32/63/1224663263.db2.gz DFDYPRSVRCMIBK-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O)[NH+](C)C ZINC001219868960 1224663269 /nfs/dbraw/zinc/66/32/69/1224663269.db2.gz DFDYPRSVRCMIBK-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460307 1201325766 /nfs/dbraw/zinc/32/57/66/1201325766.db2.gz JBBNSKQOSXBRQU-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460307 1201325771 /nfs/dbraw/zinc/32/57/71/1201325771.db2.gz JBBNSKQOSXBRQU-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460307 1201325773 /nfs/dbraw/zinc/32/57/73/1201325773.db2.gz JBBNSKQOSXBRQU-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460307 1201325778 /nfs/dbraw/zinc/32/57/78/1201325778.db2.gz JBBNSKQOSXBRQU-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484960 1201331202 /nfs/dbraw/zinc/33/12/02/1201331202.db2.gz RIIJJPPCUGRWNX-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129484960 1201331209 /nfs/dbraw/zinc/33/12/09/1201331209.db2.gz RIIJJPPCUGRWNX-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086624060 1201359007 /nfs/dbraw/zinc/35/90/07/1201359007.db2.gz LMKSSAVSUXUADJ-RBUKOAKNSA-N 2 2 370.497 0.899 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1c1ccccc1 ZINC001086624060 1201359013 /nfs/dbraw/zinc/35/90/13/1201359013.db2.gz LMKSSAVSUXUADJ-RBUKOAKNSA-N 2 2 370.497 0.899 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001129917431 1201427863 /nfs/dbraw/zinc/42/78/63/1201427863.db2.gz SEUJPJFBFIXMPU-OAGGEKHMSA-N 2 2 357.462 0.879 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896679 1224672769 /nfs/dbraw/zinc/67/27/69/1224672769.db2.gz CYTZEXJHGYKLHP-IMJJTQAJSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896679 1224672774 /nfs/dbraw/zinc/67/27/74/1224672774.db2.gz CYTZEXJHGYKLHP-IMJJTQAJSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219896679 1224672777 /nfs/dbraw/zinc/67/27/77/1224672777.db2.gz CYTZEXJHGYKLHP-IMJJTQAJSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219896679 1224672781 /nfs/dbraw/zinc/67/27/81/1224672781.db2.gz CYTZEXJHGYKLHP-IMJJTQAJSA-N 2 2 370.538 0.571 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129898142 1201432104 /nfs/dbraw/zinc/43/21/04/1201432104.db2.gz NXBCXYUDYDYBCA-SRABZTEZSA-N 2 2 373.461 0.573 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129898142 1201432106 /nfs/dbraw/zinc/43/21/06/1201432106.db2.gz NXBCXYUDYDYBCA-SRABZTEZSA-N 2 2 373.461 0.573 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCc1ccccc1 ZINC001129900839 1201434041 /nfs/dbraw/zinc/43/40/41/1201434041.db2.gz LFMDGTWSALSECE-FVQBIDKESA-N 2 2 355.442 0.924 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086626554 1201449591 /nfs/dbraw/zinc/44/95/91/1201449591.db2.gz UIXZGFDMOFEOKZ-ZWKOTPCHSA-N 2 2 365.441 0.759 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC001086626554 1201449593 /nfs/dbraw/zinc/44/95/93/1201449593.db2.gz UIXZGFDMOFEOKZ-ZWKOTPCHSA-N 2 2 365.441 0.759 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@]23C[C@H]2CN(C(=O)c2ccco2)C3)cc1 ZINC001219901791 1224674713 /nfs/dbraw/zinc/67/47/13/1224674713.db2.gz QRMLBERECARUKT-DOXZYTNZSA-N 2 2 354.410 0.883 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130034096 1201482334 /nfs/dbraw/zinc/48/23/34/1201482334.db2.gz KCMWXFSHWWHQIV-BMFZPTHFSA-N 2 2 361.450 0.258 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130034096 1201482336 /nfs/dbraw/zinc/48/23/36/1201482336.db2.gz KCMWXFSHWWHQIV-BMFZPTHFSA-N 2 2 361.450 0.258 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109944 1201503711 /nfs/dbraw/zinc/50/37/11/1201503711.db2.gz MDNUPONOQKTBNK-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130193358 1201531066 /nfs/dbraw/zinc/53/10/66/1201531066.db2.gz UMJGEEIVAMSZRI-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130193358 1201531070 /nfs/dbraw/zinc/53/10/70/1201531070.db2.gz UMJGEEIVAMSZRI-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130193358 1201531073 /nfs/dbraw/zinc/53/10/73/1201531073.db2.gz UMJGEEIVAMSZRI-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCCF)[nH]1 ZINC001130193358 1201531077 /nfs/dbraw/zinc/53/10/77/1201531077.db2.gz UMJGEEIVAMSZRI-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cn(-c3ccccc3)nn2)O1 ZINC001130182910 1201536599 /nfs/dbraw/zinc/53/65/99/1201536599.db2.gz ZNHDKUGVRDDIPV-RHSMWYFYSA-N 2 2 358.446 0.192 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cn(-c3ccccc3)nn2)O1 ZINC001130182910 1201536608 /nfs/dbraw/zinc/53/66/08/1201536608.db2.gz ZNHDKUGVRDDIPV-RHSMWYFYSA-N 2 2 358.446 0.192 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)CC(C)(C)C)n[nH]1 ZINC001130237949 1201560413 /nfs/dbraw/zinc/56/04/13/1201560413.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 2 2 366.510 0.881 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)CC(C)(C)C)n[nH]1 ZINC001130237949 1201560415 /nfs/dbraw/zinc/56/04/15/1201560415.db2.gz LOMJYMFNXPVGBB-KBPBESRZSA-N 2 2 366.510 0.881 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1)[NH+](C)C ZINC001130238131 1201561854 /nfs/dbraw/zinc/56/18/54/1201561854.db2.gz VDCOIUNPHROZFX-KKUMJFAQSA-N 2 2 366.510 0.879 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130245210 1201565274 /nfs/dbraw/zinc/56/52/74/1201565274.db2.gz VOPLGNGLOFTRQU-KBPBESRZSA-N 2 2 370.473 0.584 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130251271 1201570637 /nfs/dbraw/zinc/57/06/37/1201570637.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 2 2 370.473 0.583 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130251271 1201570641 /nfs/dbraw/zinc/57/06/41/1201570641.db2.gz KSOKPCXPWOAHNJ-KBPBESRZSA-N 2 2 370.473 0.583 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999268 1224722338 /nfs/dbraw/zinc/72/23/38/1224722338.db2.gz OLUCFBRJPLBNJO-MOPGFXCFSA-N 3 2 359.518 0.690 20 0 FCADLP COC(=O)C1CCN(c2cc(NCCOCCOCC[NH3+])[nH+]cn2)CC1 ZINC001170504517 1202720796 /nfs/dbraw/zinc/72/07/96/1202720796.db2.gz AHVPLKVAMCFRMH-UHFFFAOYSA-N 2 2 367.450 0.270 20 0 FCADLP COC(=O)C1CCN(c2cc(NCCOCCOCC[NH3+])nc[nH+]2)CC1 ZINC001170504517 1202720801 /nfs/dbraw/zinc/72/08/01/1202720801.db2.gz AHVPLKVAMCFRMH-UHFFFAOYSA-N 2 2 367.450 0.270 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001130654976 1202744421 /nfs/dbraw/zinc/74/44/21/1202744421.db2.gz YUNKVKVPQAEITC-DOTOQJQBSA-N 2 2 371.489 0.636 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522689 1202749477 /nfs/dbraw/zinc/74/94/77/1202749477.db2.gz LTLROLQJOCYAGZ-HOCLYGCPSA-N 2 2 361.490 0.819 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522689 1202749481 /nfs/dbraw/zinc/74/94/81/1202749481.db2.gz LTLROLQJOCYAGZ-HOCLYGCPSA-N 2 2 361.490 0.819 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001130682955 1202755353 /nfs/dbraw/zinc/75/53/53/1202755353.db2.gz QVUGGEPHZDWHKV-HLLBOEOZSA-N 2 2 360.462 0.534 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130695564 1202757826 /nfs/dbraw/zinc/75/78/26/1202757826.db2.gz ZSOILLLIQFQITI-DOTOQJQBSA-N 2 2 360.462 0.834 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2[NH2+]CCCO)c1 ZINC001130712833 1202759523 /nfs/dbraw/zinc/75/95/23/1202759523.db2.gz OBFPHEMQGYLRMZ-DZGCQCFKSA-N 2 2 360.462 0.387 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130736768 1202770009 /nfs/dbraw/zinc/77/00/09/1202770009.db2.gz NNUNCTIFCVUNJJ-DOTOQJQBSA-N 2 2 360.462 0.833 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130736768 1202770012 /nfs/dbraw/zinc/77/00/12/1202770012.db2.gz NNUNCTIFCVUNJJ-DOTOQJQBSA-N 2 2 360.462 0.833 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001090493425 1202770831 /nfs/dbraw/zinc/77/08/31/1202770831.db2.gz QQKNFFQELNPAHB-BZUAXINKSA-N 2 2 367.469 0.747 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001090493423 1202771097 /nfs/dbraw/zinc/77/10/97/1202771097.db2.gz QQKNFFQELNPAHB-ARFHVFGLSA-N 2 2 367.469 0.747 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073468 1224745055 /nfs/dbraw/zinc/74/50/55/1224745055.db2.gz BJEPIWSQAZNAPT-SJORKVTESA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073468 1224745058 /nfs/dbraw/zinc/74/50/58/1224745058.db2.gz BJEPIWSQAZNAPT-SJORKVTESA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073468 1224745061 /nfs/dbraw/zinc/74/50/61/1224745061.db2.gz BJEPIWSQAZNAPT-SJORKVTESA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073468 1224745067 /nfs/dbraw/zinc/74/50/67/1224745067.db2.gz BJEPIWSQAZNAPT-SJORKVTESA-N 2 2 368.522 0.327 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130790336 1202798634 /nfs/dbraw/zinc/79/86/34/1202798634.db2.gz VBCITWAUTYUDJI-BFHYXJOUSA-N 2 2 368.457 0.684 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130790336 1202798636 /nfs/dbraw/zinc/79/86/36/1202798636.db2.gz VBCITWAUTYUDJI-BFHYXJOUSA-N 2 2 368.457 0.684 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1)[NH+](C)C ZINC001130790108 1202798669 /nfs/dbraw/zinc/79/86/69/1202798669.db2.gz IBIHVYOEEVVTCG-RRFJBIMHSA-N 2 2 364.494 0.981 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1)[NH+](C)C ZINC001130809121 1202802158 /nfs/dbraw/zinc/80/21/58/1202802158.db2.gz IBIHVYOEEVVTCG-SOUVJXGZSA-N 2 2 364.494 0.981 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130811823 1202805040 /nfs/dbraw/zinc/80/50/40/1202805040.db2.gz LXMAMFUKHXLVJT-UONOGXRCSA-N 2 2 368.482 0.219 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078673 1224748301 /nfs/dbraw/zinc/74/83/01/1224748301.db2.gz YDOWUCTYGNWVLT-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)C1=O ZINC001220078673 1224748309 /nfs/dbraw/zinc/74/83/09/1224748309.db2.gz YDOWUCTYGNWVLT-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001131089672 1202860958 /nfs/dbraw/zinc/86/09/58/1202860958.db2.gz SYWJFAJEKFCQIE-HZPDHXFCSA-N 2 2 360.462 0.834 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000747471243 1202878149 /nfs/dbraw/zinc/87/81/49/1202878149.db2.gz UEDWVFNWYASKQN-OAHLLOKOSA-N 2 2 368.478 0.478 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)NC3(CCOCC3)C2=O)C1 ZINC000747471243 1202878151 /nfs/dbraw/zinc/87/81/51/1202878151.db2.gz UEDWVFNWYASKQN-OAHLLOKOSA-N 2 2 368.478 0.478 20 0 FCADLP CC(C)CCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613535 1202921712 /nfs/dbraw/zinc/92/17/12/1202921712.db2.gz FCGAHMHIXFHFLN-MSOLQXFVSA-N 2 2 371.522 0.635 20 0 FCADLP CNC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001134049986 1203011727 /nfs/dbraw/zinc/01/17/27/1203011727.db2.gz YJNATWKHERXZQA-HZPDHXFCSA-N 2 2 355.442 0.789 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086732939 1203059204 /nfs/dbraw/zinc/05/92/04/1203059204.db2.gz LMBXFLFYEYFCMZ-NJZAAPMLSA-N 2 2 369.425 0.856 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)N1CCC1 ZINC001086737790 1203064484 /nfs/dbraw/zinc/06/44/84/1203064484.db2.gz XDGBWSOFIOPQKK-ARFHVFGLSA-N 2 2 359.474 0.552 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C[NH+](C)C)on3)C2)[nH]1 ZINC001086739135 1203065469 /nfs/dbraw/zinc/06/54/69/1203065469.db2.gz KLBLOGBUFKAOSA-QWHCGFSZSA-N 2 2 361.450 0.851 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220105558 1224763578 /nfs/dbraw/zinc/76/35/78/1224763578.db2.gz AQPPAYJSEQGBQT-SJORKVTESA-N 2 2 362.405 0.653 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001220105558 1224763586 /nfs/dbraw/zinc/76/35/86/1224763586.db2.gz AQPPAYJSEQGBQT-SJORKVTESA-N 2 2 362.405 0.653 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)n1 ZINC001086784967 1203092238 /nfs/dbraw/zinc/09/22/38/1203092238.db2.gz DATFPPFNPURNFZ-ARFHVFGLSA-N 2 2 365.478 0.862 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)n1 ZINC001086784967 1203092239 /nfs/dbraw/zinc/09/22/39/1203092239.db2.gz DATFPPFNPURNFZ-ARFHVFGLSA-N 2 2 365.478 0.862 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC3CN(C(=O)OC)C3)CC2)CC1 ZINC000817776243 1203114847 /nfs/dbraw/zinc/11/48/47/1203114847.db2.gz DDZSGCHXNVZZRD-UHFFFAOYSA-N 2 2 367.494 0.639 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC3CN(C(=O)OC)C3)CC2)CC1 ZINC000817776243 1203114850 /nfs/dbraw/zinc/11/48/50/1203114850.db2.gz DDZSGCHXNVZZRD-UHFFFAOYSA-N 2 2 367.494 0.639 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)ccc2[nH]c1=O ZINC000821135945 1203199640 /nfs/dbraw/zinc/19/96/40/1203199640.db2.gz XTNQKSPCUSHOQF-OAHLLOKOSA-N 2 2 372.473 0.033 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000822972189 1203243440 /nfs/dbraw/zinc/24/34/40/1203243440.db2.gz HQCNSHLXADJMDR-ZDUSSCGKSA-N 2 2 356.430 0.671 20 0 FCADLP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000822977411 1203243470 /nfs/dbraw/zinc/24/34/70/1203243470.db2.gz SMUALNURYPHAKA-OCCSQVGLSA-N 2 2 356.430 0.985 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001090715876 1203268921 /nfs/dbraw/zinc/26/89/21/1203268921.db2.gz XRNUCGIKYTVTTJ-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001090715876 1203268924 /nfs/dbraw/zinc/26/89/24/1203268924.db2.gz XRNUCGIKYTVTTJ-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844168722 1203337475 /nfs/dbraw/zinc/33/74/75/1203337475.db2.gz SHOHPSLUOMMKFJ-HNNXBMFYSA-N 2 2 360.458 0.781 20 0 FCADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197730 1224799236 /nfs/dbraw/zinc/79/92/36/1224799236.db2.gz QCWMEVLIIKPDDE-INIZCTEOSA-N 2 2 361.442 0.428 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229212 1224810160 /nfs/dbraw/zinc/81/01/60/1224810160.db2.gz SGKATVOIGZHPNU-OAGGEKHMSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229212 1224810161 /nfs/dbraw/zinc/81/01/61/1224810161.db2.gz SGKATVOIGZHPNU-OAGGEKHMSA-N 2 2 368.522 0.040 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220261021 1224816040 /nfs/dbraw/zinc/81/60/40/1224816040.db2.gz OMQAUJDKLZOGBU-LJQANCHMSA-N 3 2 365.566 0.898 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273120 1224817973 /nfs/dbraw/zinc/81/79/73/1224817973.db2.gz CLBKPJIXBGZTJG-OIISXLGYSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273120 1224817975 /nfs/dbraw/zinc/81/79/75/1224817975.db2.gz CLBKPJIXBGZTJG-OIISXLGYSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273154 1224818123 /nfs/dbraw/zinc/81/81/23/1224818123.db2.gz DEPWACQXPBKWBW-UAGQMJEPSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273154 1224818125 /nfs/dbraw/zinc/81/81/25/1224818125.db2.gz DEPWACQXPBKWBW-UAGQMJEPSA-N 2 2 368.522 0.279 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220292126 1224822037 /nfs/dbraw/zinc/82/20/37/1224822037.db2.gz ZZPJDLPECPLXRL-GMBSWORKSA-N 2 2 355.442 0.155 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220292126 1224822042 /nfs/dbraw/zinc/82/20/42/1224822042.db2.gz ZZPJDLPECPLXRL-GMBSWORKSA-N 2 2 355.442 0.155 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001220297005 1224822631 /nfs/dbraw/zinc/82/26/31/1224822631.db2.gz GLZZMDYQVAVBTA-SOLBZPMBSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001220297005 1224822635 /nfs/dbraw/zinc/82/26/35/1224822635.db2.gz GLZZMDYQVAVBTA-SOLBZPMBSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001220297062 1224823541 /nfs/dbraw/zinc/82/35/41/1224823541.db2.gz JPKYZGUTIATEED-IXDOHACOSA-N 2 2 362.474 0.033 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O)[NH+](C)C ZINC001220297062 1224823543 /nfs/dbraw/zinc/82/35/43/1224823543.db2.gz JPKYZGUTIATEED-IXDOHACOSA-N 2 2 362.474 0.033 20 0 FCADLP CN(CC(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)C(N)=[NH2+] ZINC001144137687 1204424031 /nfs/dbraw/zinc/42/40/31/1204424031.db2.gz UOPABCLNCOSGDX-UHFFFAOYSA-N 2 2 363.437 0.758 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374592 1204496778 /nfs/dbraw/zinc/49/67/78/1204496778.db2.gz ARKULJJHGCKLDD-GJZGRUSLSA-N 2 2 372.510 0.668 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374592 1204496781 /nfs/dbraw/zinc/49/67/81/1204496781.db2.gz ARKULJJHGCKLDD-GJZGRUSLSA-N 2 2 372.510 0.668 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001091095850 1204513209 /nfs/dbraw/zinc/51/32/09/1204513209.db2.gz GVJIWJVDKJFSFQ-XSCHDIRWSA-N 2 2 364.494 0.081 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001091095850 1204513213 /nfs/dbraw/zinc/51/32/13/1204513213.db2.gz GVJIWJVDKJFSFQ-XSCHDIRWSA-N 2 2 364.494 0.081 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355285 1224840360 /nfs/dbraw/zinc/84/03/60/1224840360.db2.gz KWRTUYPKIXYJFM-JQHSSLGASA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001220355285 1224840361 /nfs/dbraw/zinc/84/03/61/1224840361.db2.gz KWRTUYPKIXYJFM-JQHSSLGASA-N 2 2 364.490 0.732 20 0 FCADLP CCn1ncnc1C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001091239836 1204630570 /nfs/dbraw/zinc/63/05/70/1204630570.db2.gz NDRMYSXFKIKUJH-NEXFUWMNSA-N 2 2 357.462 0.820 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358670 1224842476 /nfs/dbraw/zinc/84/24/76/1224842476.db2.gz WBRSVJMGMSSQKY-YVSFHVDLSA-N 3 2 360.458 0.251 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835603 1204669148 /nfs/dbraw/zinc/66/91/48/1204669148.db2.gz MBMIZCWAWNSYPW-CABCVRRESA-N 2 2 363.462 0.899 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835603 1204669149 /nfs/dbraw/zinc/66/91/49/1204669149.db2.gz MBMIZCWAWNSYPW-CABCVRRESA-N 2 2 363.462 0.899 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565711 1204726569 /nfs/dbraw/zinc/72/65/69/1204726569.db2.gz VZWONKQDRDPZQK-BJZITVGISA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565711 1204726571 /nfs/dbraw/zinc/72/65/71/1204726571.db2.gz VZWONKQDRDPZQK-BJZITVGISA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565711 1204726573 /nfs/dbraw/zinc/72/65/73/1204726573.db2.gz VZWONKQDRDPZQK-BJZITVGISA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565711 1204726575 /nfs/dbraw/zinc/72/65/75/1204726575.db2.gz VZWONKQDRDPZQK-BJZITVGISA-N 2 2 362.449 0.832 20 0 FCADLP Cc1cccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001147213219 1204765886 /nfs/dbraw/zinc/76/58/86/1204765886.db2.gz VCKRRGYUKJJNJZ-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1cccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001147213219 1204765888 /nfs/dbraw/zinc/76/58/88/1204765888.db2.gz VCKRRGYUKJJNJZ-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664294 1204810809 /nfs/dbraw/zinc/81/08/09/1204810809.db2.gz GADUCJIHSCGPLV-MDZRGWNJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664294 1204810810 /nfs/dbraw/zinc/81/08/10/1204810810.db2.gz GADUCJIHSCGPLV-MDZRGWNJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001091664294 1204810811 /nfs/dbraw/zinc/81/08/11/1204810811.db2.gz GADUCJIHSCGPLV-MDZRGWNJSA-N 2 2 360.506 0.968 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678029 1204818406 /nfs/dbraw/zinc/81/84/06/1204818406.db2.gz XGZSEKBUWSAFFG-MDZRGWNJSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678029 1204818407 /nfs/dbraw/zinc/81/84/07/1204818407.db2.gz XGZSEKBUWSAFFG-MDZRGWNJSA-N 2 2 358.490 0.437 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091684725 1204821553 /nfs/dbraw/zinc/82/15/53/1204821553.db2.gz MXEHXGVQQMATHV-FSZRXZPDSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091684725 1204821554 /nfs/dbraw/zinc/82/15/54/1204821554.db2.gz MXEHXGVQQMATHV-FSZRXZPDSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091684725 1204821555 /nfs/dbraw/zinc/82/15/55/1204821555.db2.gz MXEHXGVQQMATHV-FSZRXZPDSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nnnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091684725 1204821557 /nfs/dbraw/zinc/82/15/57/1204821557.db2.gz MXEHXGVQQMATHV-FSZRXZPDSA-N 2 2 361.494 0.221 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091687296 1204822626 /nfs/dbraw/zinc/82/26/26/1204822626.db2.gz ZUXGNGNZAZYTGK-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091687296 1204822628 /nfs/dbraw/zinc/82/26/28/1204822628.db2.gz ZUXGNGNZAZYTGK-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091687296 1204822631 /nfs/dbraw/zinc/82/26/31/1204822631.db2.gz ZUXGNGNZAZYTGK-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091687296 1204822632 /nfs/dbraw/zinc/82/26/32/1204822632.db2.gz ZUXGNGNZAZYTGK-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000128573973 1204827041 /nfs/dbraw/zinc/82/70/41/1204827041.db2.gz LXYZQKKZSWPHDM-KURKYZTESA-N 2 2 369.554 0.621 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000128573973 1204827042 /nfs/dbraw/zinc/82/70/42/1204827042.db2.gz LXYZQKKZSWPHDM-KURKYZTESA-N 2 2 369.554 0.621 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCOCC3)nn2)cc1 ZINC001220392141 1224855755 /nfs/dbraw/zinc/85/57/55/1224855755.db2.gz XATRGNCKOOEVBJ-MRXNPFEDSA-N 2 2 356.430 0.202 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)n1 ZINC001086880016 1204855690 /nfs/dbraw/zinc/85/56/90/1204855690.db2.gz IFXWENPPUKUPJZ-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)n1 ZINC001086880016 1204855694 /nfs/dbraw/zinc/85/56/94/1204855694.db2.gz IFXWENPPUKUPJZ-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086984574 1204879057 /nfs/dbraw/zinc/87/90/57/1204879057.db2.gz SWVVZVAEWXBDCB-HNJNHCNJSA-N 2 2 368.441 0.875 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086987152 1204881335 /nfs/dbraw/zinc/88/13/35/1204881335.db2.gz CCOORUUDSSTLSM-CWRNSKLLSA-N 2 2 368.441 0.646 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2ccccn2)cn1 ZINC001086999317 1204888935 /nfs/dbraw/zinc/88/89/35/1204888935.db2.gz AKWHALUOCUGOOI-ZWKOTPCHSA-N 2 2 365.441 0.865 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001086999698 1204888957 /nfs/dbraw/zinc/88/89/57/1204888957.db2.gz RELZIDNPCXNCFF-ZWKOTPCHSA-N 2 2 365.441 0.865 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2cnn(C)c2)n1 ZINC001087012108 1204898599 /nfs/dbraw/zinc/89/85/99/1204898599.db2.gz FVYKTFHRYRJMNE-DLBZAZTESA-N 2 2 368.445 0.135 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087049057 1204923673 /nfs/dbraw/zinc/92/36/73/1204923673.db2.gz MTSXWPUZQACVFN-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001087049428 1204925295 /nfs/dbraw/zinc/92/52/95/1204925295.db2.gz HGXYWNWHTXFZRW-ZIAGYGMSSA-N 2 2 361.450 0.124 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001087049331 1204925714 /nfs/dbraw/zinc/92/57/14/1204925714.db2.gz AXQNLXLUBMSMIY-UKRRQHHQSA-N 2 2 361.450 0.124 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087066437 1204954958 /nfs/dbraw/zinc/95/49/58/1204954958.db2.gz ARIAAQLLDQFCRX-HUUCEWRRSA-N 2 2 362.434 0.536 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001087087968 1204977494 /nfs/dbraw/zinc/97/74/94/1204977494.db2.gz DALPVFHSCOOUAJ-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@@H](C)c1nncn1C ZINC001087094100 1204985768 /nfs/dbraw/zinc/98/57/68/1204985768.db2.gz REEAHLSWKUQVLT-BFHYXJOUSA-N 2 2 361.450 0.295 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001087094081 1204986353 /nfs/dbraw/zinc/98/63/53/1204986353.db2.gz QNNIZBJRJMTEJS-GDBMZVCRSA-N 2 2 360.462 0.647 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087103601 1205001307 /nfs/dbraw/zinc/00/13/07/1205001307.db2.gz POSQDWJMYPHRFQ-GDBMZVCRSA-N 2 2 361.450 0.148 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087096872 1205004741 /nfs/dbraw/zinc/00/47/41/1205004741.db2.gz ISKZIKVUJJBHCE-GDBMZVCRSA-N 2 2 360.462 0.349 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091780144 1205026155 /nfs/dbraw/zinc/02/61/55/1205026155.db2.gz WYGNLSITKULELU-CLCXKQKWSA-N 2 2 361.490 0.841 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001091780144 1205026158 /nfs/dbraw/zinc/02/61/58/1205026158.db2.gz WYGNLSITKULELU-CLCXKQKWSA-N 2 2 361.490 0.841 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001091780689 1205026301 /nfs/dbraw/zinc/02/63/01/1205026301.db2.gz WFOARAXQJOCZSF-RKVPGOIHSA-N 2 2 363.510 0.875 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001091780689 1205026304 /nfs/dbraw/zinc/02/63/04/1205026304.db2.gz WFOARAXQJOCZSF-RKVPGOIHSA-N 2 2 363.510 0.875 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001091857643 1205052681 /nfs/dbraw/zinc/05/26/81/1205052681.db2.gz PTAVHOVZJNJHPZ-DAYGRLMNSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001091857643 1205052688 /nfs/dbraw/zinc/05/26/88/1205052688.db2.gz PTAVHOVZJNJHPZ-DAYGRLMNSA-N 2 2 357.462 0.862 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001091859234 1205053646 /nfs/dbraw/zinc/05/36/46/1205053646.db2.gz FBZHJMOFZGBTIG-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001091859234 1205053652 /nfs/dbraw/zinc/05/36/52/1205053652.db2.gz FBZHJMOFZGBTIG-CABCVRRESA-N 2 2 371.489 0.990 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013149 1205113296 /nfs/dbraw/zinc/11/32/96/1205113296.db2.gz JCYIYFLGGXOREZ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013149 1205113300 /nfs/dbraw/zinc/11/33/00/1205113300.db2.gz JCYIYFLGGXOREZ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013149 1205113310 /nfs/dbraw/zinc/11/33/10/1205113310.db2.gz JCYIYFLGGXOREZ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013149 1205113314 /nfs/dbraw/zinc/11/33/14/1205113314.db2.gz JCYIYFLGGXOREZ-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056466 1205126829 /nfs/dbraw/zinc/12/68/29/1205126829.db2.gz FLAWFKOFAOERSK-RKVPGOIHSA-N 2 2 357.462 0.943 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056466 1205126836 /nfs/dbraw/zinc/12/68/36/1205126836.db2.gz FLAWFKOFAOERSK-RKVPGOIHSA-N 2 2 357.462 0.943 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203113 1205197044 /nfs/dbraw/zinc/19/70/44/1205197044.db2.gz DGULXNOZQHIZCT-VBQJREDUSA-N 2 2 359.478 0.147 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203113 1205197045 /nfs/dbraw/zinc/19/70/45/1205197045.db2.gz DGULXNOZQHIZCT-VBQJREDUSA-N 2 2 359.478 0.147 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092232920 1205204576 /nfs/dbraw/zinc/20/45/76/1205204576.db2.gz FFCBXXLSZPOSIN-LPMFXHHGSA-N 2 2 359.474 0.708 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092232540 1205205715 /nfs/dbraw/zinc/20/57/15/1205205715.db2.gz QNSXEDYKJMUBOZ-VCBZYWHSSA-N 2 2 369.473 0.820 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092232540 1205205725 /nfs/dbraw/zinc/20/57/25/1205205725.db2.gz QNSXEDYKJMUBOZ-VCBZYWHSSA-N 2 2 369.473 0.820 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302365 1205235412 /nfs/dbraw/zinc/23/54/12/1205235412.db2.gz ZKMBDNMAXYSJHU-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302365 1205235417 /nfs/dbraw/zinc/23/54/17/1205235417.db2.gz ZKMBDNMAXYSJHU-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302365 1205235420 /nfs/dbraw/zinc/23/54/20/1205235420.db2.gz ZKMBDNMAXYSJHU-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302365 1205235422 /nfs/dbraw/zinc/23/54/22/1205235422.db2.gz ZKMBDNMAXYSJHU-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001092314304 1205244576 /nfs/dbraw/zinc/24/45/76/1205244576.db2.gz FDAGLNQDEPRPAJ-HUUCEWRRSA-N 2 2 357.462 0.957 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001092314304 1205244581 /nfs/dbraw/zinc/24/45/81/1205244581.db2.gz FDAGLNQDEPRPAJ-HUUCEWRRSA-N 2 2 357.462 0.957 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092395736 1205271792 /nfs/dbraw/zinc/27/17/92/1205271792.db2.gz GEDFHFLPNVVODS-ZIAGYGMSSA-N 2 2 359.478 0.894 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001092395736 1205271794 /nfs/dbraw/zinc/27/17/94/1205271794.db2.gz GEDFHFLPNVVODS-ZIAGYGMSSA-N 2 2 359.478 0.894 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)no1 ZINC001092505640 1205296756 /nfs/dbraw/zinc/29/67/56/1205296756.db2.gz SZUXHIQKPWEPOF-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)no1 ZINC001092505640 1205296758 /nfs/dbraw/zinc/29/67/58/1205296758.db2.gz SZUXHIQKPWEPOF-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](C)C2)no1 ZINC001092505640 1205296765 /nfs/dbraw/zinc/29/67/65/1205296765.db2.gz SZUXHIQKPWEPOF-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@H](C)C2)no1 ZINC001092505640 1205296769 /nfs/dbraw/zinc/29/67/69/1205296769.db2.gz SZUXHIQKPWEPOF-BPLDGKMQSA-N 2 2 363.462 0.700 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523110 1205302519 /nfs/dbraw/zinc/30/25/19/1205302519.db2.gz AQIHEXMTRGNZDV-RKVPGOIHSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523110 1205302520 /nfs/dbraw/zinc/30/25/20/1205302520.db2.gz AQIHEXMTRGNZDV-RKVPGOIHSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092523110 1205302521 /nfs/dbraw/zinc/30/25/21/1205302521.db2.gz AQIHEXMTRGNZDV-RKVPGOIHSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cc3n(n2)CCC3)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092523110 1205302522 /nfs/dbraw/zinc/30/25/22/1205302522.db2.gz AQIHEXMTRGNZDV-RKVPGOIHSA-N 2 2 361.490 0.344 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092621253 1205330256 /nfs/dbraw/zinc/33/02/56/1205330256.db2.gz XPHLQAZOGUNDGR-KLHDSHLOSA-N 2 2 363.510 0.607 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092621253 1205330260 /nfs/dbraw/zinc/33/02/60/1205330260.db2.gz XPHLQAZOGUNDGR-KLHDSHLOSA-N 2 2 363.510 0.607 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092621253 1205330263 /nfs/dbraw/zinc/33/02/63/1205330263.db2.gz XPHLQAZOGUNDGR-KLHDSHLOSA-N 2 2 363.510 0.607 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092621253 1205330267 /nfs/dbraw/zinc/33/02/67/1205330267.db2.gz XPHLQAZOGUNDGR-KLHDSHLOSA-N 2 2 363.510 0.607 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675098 1205336828 /nfs/dbraw/zinc/33/68/28/1205336828.db2.gz DYBFDZDVGLCDMD-FMKPAKJESA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675098 1205336830 /nfs/dbraw/zinc/33/68/30/1205336830.db2.gz DYBFDZDVGLCDMD-FMKPAKJESA-N 2 2 357.462 0.773 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478920 1224887042 /nfs/dbraw/zinc/88/70/42/1224887042.db2.gz PYYILPRHRBVXAT-OIISXLGYSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478920 1224887046 /nfs/dbraw/zinc/88/70/46/1224887046.db2.gz PYYILPRHRBVXAT-OIISXLGYSA-N 2 2 368.522 0.040 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906868 1205953294 /nfs/dbraw/zinc/95/32/94/1205953294.db2.gz KOMGPLZAYUIXMS-BZUAXINKSA-N 2 2 363.510 0.516 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906868 1205953296 /nfs/dbraw/zinc/95/32/96/1205953296.db2.gz KOMGPLZAYUIXMS-BZUAXINKSA-N 2 2 363.510 0.516 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906868 1205953300 /nfs/dbraw/zinc/95/33/00/1205953300.db2.gz KOMGPLZAYUIXMS-BZUAXINKSA-N 2 2 363.510 0.516 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906868 1205953302 /nfs/dbraw/zinc/95/33/02/1205953302.db2.gz KOMGPLZAYUIXMS-BZUAXINKSA-N 2 2 363.510 0.516 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]CC3(N4CCCC4)CCOCC3)cn2)CC1 ZINC001649155106 1205968226 /nfs/dbraw/zinc/96/82/26/1205968226.db2.gz BOWIQPTTXZWDMS-UHFFFAOYSA-N 2 2 374.533 0.963 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001220547722 1224921619 /nfs/dbraw/zinc/92/16/19/1224921619.db2.gz DGQFKZGJLPUUQN-MSOLQXFVSA-N 2 2 369.506 0.219 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220547722 1224921627 /nfs/dbraw/zinc/92/16/27/1224921627.db2.gz DGQFKZGJLPUUQN-MSOLQXFVSA-N 2 2 369.506 0.219 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125275 1206028570 /nfs/dbraw/zinc/02/85/70/1206028570.db2.gz KOLROJORTXRAJH-HZSPNIEDSA-N 2 2 356.430 0.439 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125275 1206028574 /nfs/dbraw/zinc/02/85/74/1206028574.db2.gz KOLROJORTXRAJH-HZSPNIEDSA-N 2 2 356.430 0.439 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c(C)n1 ZINC001220553918 1224926847 /nfs/dbraw/zinc/92/68/47/1224926847.db2.gz YAZPIMHXSDOYSE-MSOLQXFVSA-N 2 2 362.474 0.082 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c(C)n1 ZINC001220553918 1224926859 /nfs/dbraw/zinc/92/68/59/1224926859.db2.gz YAZPIMHXSDOYSE-MSOLQXFVSA-N 2 2 362.474 0.082 20 0 FCADLP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001093289620 1206073687 /nfs/dbraw/zinc/07/36/87/1206073687.db2.gz VPMVAUBKLYDWHC-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093291439 1206074153 /nfs/dbraw/zinc/07/41/53/1206074153.db2.gz JKKAAEKLDZNATC-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)[C@@H]1N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093473197 1206086978 /nfs/dbraw/zinc/08/69/78/1206086978.db2.gz NFVCVEAOMLCSCG-ZLHSVIROSA-N 2 2 364.490 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001093742568 1206114032 /nfs/dbraw/zinc/11/40/32/1206114032.db2.gz CMEDTNKYHBRPTQ-CHWSQXEVSA-N 2 2 361.450 0.676 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001093871258 1206138399 /nfs/dbraw/zinc/13/83/99/1206138399.db2.gz HVONWAXYRIKAFE-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001093871755 1206138458 /nfs/dbraw/zinc/13/84/58/1206138458.db2.gz UVFKSIRAHBBTPR-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001093873159 1206139398 /nfs/dbraw/zinc/13/93/98/1206139398.db2.gz IHHDRBPRMCLUGT-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093923813 1206150506 /nfs/dbraw/zinc/15/05/06/1206150506.db2.gz WFRMIBLDNPIXFQ-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)c1nnnn1C ZINC001093934302 1206161904 /nfs/dbraw/zinc/16/19/04/1206161904.db2.gz KWGRJFAAUBPSEW-HZSPNIEDSA-N 2 2 360.466 0.322 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094110864 1206185459 /nfs/dbraw/zinc/18/54/59/1206185459.db2.gz RIJGAAQBFPWGOH-IIAWOOMASA-N 2 2 365.478 0.845 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094132653 1206190272 /nfs/dbraw/zinc/19/02/72/1206190272.db2.gz OSBHTFZRZSTQDV-UKRRQHHQSA-N 2 2 357.462 0.838 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001094166086 1206197889 /nfs/dbraw/zinc/19/78/89/1206197889.db2.gz MZJNNVSXANWJPM-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094166627 1206198130 /nfs/dbraw/zinc/19/81/30/1206198130.db2.gz HWFAGCFADWGVDP-JHJVBQTASA-N 2 2 361.446 0.177 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001094189826 1206205229 /nfs/dbraw/zinc/20/52/29/1206205229.db2.gz OPXCIYOUTMALBO-CZUORRHYSA-N 2 2 357.458 0.844 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1ccon1 ZINC001094234065 1206208891 /nfs/dbraw/zinc/20/88/91/1206208891.db2.gz IRLSNXWLBIKLPC-KYJSFNMBSA-N 2 2 362.474 0.970 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ncnn1CC(F)F ZINC001094253891 1206211496 /nfs/dbraw/zinc/21/14/96/1206211496.db2.gz HAGMKRNRMQKKIA-CHWSQXEVSA-N 2 2 367.404 0.624 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn(C3C[NH+](CCC4CC4)C3)nn2)O1 ZINC001094299411 1206215854 /nfs/dbraw/zinc/21/58/54/1206215854.db2.gz BPNXRAHKVKKSNU-CXAGYDPISA-N 2 2 362.478 0.270 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn(C3C[NH+](CCC4CC4)C3)nn2)O1 ZINC001094299411 1206215856 /nfs/dbraw/zinc/21/58/56/1206215856.db2.gz BPNXRAHKVKKSNU-CXAGYDPISA-N 2 2 362.478 0.270 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384893 1206222464 /nfs/dbraw/zinc/22/24/64/1206222464.db2.gz PTODHTQJOKWRGM-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384893 1206222467 /nfs/dbraw/zinc/22/24/67/1206222467.db2.gz PTODHTQJOKWRGM-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@H+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384893 1206222470 /nfs/dbraw/zinc/22/24/70/1206222470.db2.gz PTODHTQJOKWRGM-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384893 1206222473 /nfs/dbraw/zinc/22/24/73/1206222473.db2.gz PTODHTQJOKWRGM-JFIYKMOQSA-N 2 2 362.478 0.007 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001094477823 1206233474 /nfs/dbraw/zinc/23/34/74/1206233474.db2.gz LAUUFWRROOJRAS-NLWGTHIKSA-N 2 2 365.518 0.840 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001094477823 1206233475 /nfs/dbraw/zinc/23/34/75/1206233475.db2.gz LAUUFWRROOJRAS-NLWGTHIKSA-N 2 2 365.518 0.840 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001094477823 1206233476 /nfs/dbraw/zinc/23/34/76/1206233476.db2.gz LAUUFWRROOJRAS-NLWGTHIKSA-N 2 2 365.518 0.840 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[NH+](CCO)CC2)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001094477823 1206233477 /nfs/dbraw/zinc/23/34/77/1206233477.db2.gz LAUUFWRROOJRAS-NLWGTHIKSA-N 2 2 365.518 0.840 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503672 1206234072 /nfs/dbraw/zinc/23/40/72/1206234072.db2.gz NIJWQLOFFDTQLX-CRAIPNDOSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503672 1206234075 /nfs/dbraw/zinc/23/40/75/1206234075.db2.gz NIJWQLOFFDTQLX-CRAIPNDOSA-N 2 2 361.494 0.413 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C2C[C@@H]4COC[C@H](C2)[N@@H+]4C)CC3)CC1 ZINC001172136604 1206257314 /nfs/dbraw/zinc/25/73/14/1206257314.db2.gz FADXCODNOGHVSJ-YQQQUEKLSA-N 2 2 374.533 0.308 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C2C[C@@H]4COC[C@H](C2)[N@H+]4C)CC3)CC1 ZINC001172136604 1206257317 /nfs/dbraw/zinc/25/73/17/1206257317.db2.gz FADXCODNOGHVSJ-YQQQUEKLSA-N 2 2 374.533 0.308 20 0 FCADLP O=C1CC[C@@H]2C[C@H]([N@@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176115 1206259752 /nfs/dbraw/zinc/25/97/52/1206259752.db2.gz WFKCLRVYBBZEBL-HUUCEWRRSA-N 2 2 355.446 0.882 20 0 FCADLP O=C1CC[C@@H]2C[C@H]([N@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176115 1206259753 /nfs/dbraw/zinc/25/97/53/1206259753.db2.gz WFKCLRVYBBZEBL-HUUCEWRRSA-N 2 2 355.446 0.882 20 0 FCADLP c1cn(Cc2nnn3c2C[N@@H+]([C@H]2CCC[C@@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752218 1206287380 /nfs/dbraw/zinc/28/73/80/1206287380.db2.gz KQCTZYQFZWVJHU-LSDHHAIUSA-N 2 2 368.449 0.899 20 0 FCADLP c1cn(Cc2nnn3c2C[N@H+]([C@H]2CCC[C@@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752218 1206287381 /nfs/dbraw/zinc/28/73/81/1206287381.db2.gz KQCTZYQFZWVJHU-LSDHHAIUSA-N 2 2 368.449 0.899 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001177993749 1206351059 /nfs/dbraw/zinc/35/10/59/1206351059.db2.gz OLIXEYDXOMCYPO-UHFFFAOYSA-N 2 2 360.418 0.207 20 0 FCADLP C[NH+](C)C1CCN(c2ccc(NCc3cn(CC(N)=O)nn3)[nH+]c2)CC1 ZINC001178104606 1206352352 /nfs/dbraw/zinc/35/23/52/1206352352.db2.gz XLVBQXLMBNPBCE-UHFFFAOYSA-N 2 2 358.450 0.301 20 0 FCADLP O=C(NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752165 1206364977 /nfs/dbraw/zinc/36/49/77/1206364977.db2.gz ILZLHHIMWGUDHV-MCIONIFRSA-N 2 2 361.446 0.585 20 0 FCADLP O=C(NCCCCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752165 1206364981 /nfs/dbraw/zinc/36/49/81/1206364981.db2.gz ILZLHHIMWGUDHV-MCIONIFRSA-N 2 2 361.446 0.585 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178936261 1206367426 /nfs/dbraw/zinc/36/74/26/1206367426.db2.gz LTAFSWIGEVQIMR-YJNKXOJESA-N 2 2 363.462 0.245 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001179557719 1206382638 /nfs/dbraw/zinc/38/26/38/1206382638.db2.gz OKIGQYFOMWUJFR-JJXSEGSLSA-N 2 2 361.490 0.969 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760723 1206399334 /nfs/dbraw/zinc/39/93/34/1206399334.db2.gz UHZKVLCKEUAMHD-KSZLIROESA-N 2 2 360.458 0.214 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760723 1206399336 /nfs/dbraw/zinc/39/93/36/1206399336.db2.gz UHZKVLCKEUAMHD-KSZLIROESA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760723 1206399338 /nfs/dbraw/zinc/39/93/38/1206399338.db2.gz UHZKVLCKEUAMHD-KSZLIROESA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760723 1206399340 /nfs/dbraw/zinc/39/93/40/1206399340.db2.gz UHZKVLCKEUAMHD-KSZLIROESA-N 2 2 360.458 0.214 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760774 1206399677 /nfs/dbraw/zinc/39/96/77/1206399677.db2.gz VFYUPADNKILOLJ-SZMVWBNQSA-N 2 2 363.433 0.820 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760774 1206399678 /nfs/dbraw/zinc/39/96/78/1206399678.db2.gz VFYUPADNKILOLJ-SZMVWBNQSA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760774 1206399681 /nfs/dbraw/zinc/39/96/81/1206399681.db2.gz VFYUPADNKILOLJ-SZMVWBNQSA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760774 1206399682 /nfs/dbraw/zinc/39/96/82/1206399682.db2.gz VFYUPADNKILOLJ-SZMVWBNQSA-N 2 2 363.433 0.820 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001220578589 1224946023 /nfs/dbraw/zinc/94/60/23/1224946023.db2.gz ISLOEKXMQCPORI-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]Cc1cnnn1C ZINC001181781361 1206414821 /nfs/dbraw/zinc/41/48/21/1206414821.db2.gz NVQKLOHWTSNYNN-SCFUHWHPSA-N 2 2 357.462 0.916 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]Cc1cnnn1C ZINC001181781361 1206414822 /nfs/dbraw/zinc/41/48/22/1206414822.db2.gz NVQKLOHWTSNYNN-SCFUHWHPSA-N 2 2 357.462 0.916 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001182838996 1206444903 /nfs/dbraw/zinc/44/49/03/1206444903.db2.gz YDGLIMFWMNAMGA-INIZCTEOSA-N 2 2 370.457 0.703 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001182838996 1206444905 /nfs/dbraw/zinc/44/49/05/1206444905.db2.gz YDGLIMFWMNAMGA-INIZCTEOSA-N 2 2 370.457 0.703 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258448 1206478014 /nfs/dbraw/zinc/47/80/14/1206478014.db2.gz SVUGXLOZUGTTSC-OALUTQOASA-N 2 2 360.502 0.764 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258448 1206478015 /nfs/dbraw/zinc/47/80/15/1206478015.db2.gz SVUGXLOZUGTTSC-OALUTQOASA-N 2 2 360.502 0.764 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001185749865 1206485650 /nfs/dbraw/zinc/48/56/50/1206485650.db2.gz ODWPTBBMOOYQFN-JHJVBQTASA-N 2 2 358.402 0.341 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC001186105274 1206493480 /nfs/dbraw/zinc/49/34/80/1206493480.db2.gz BNHBMPHQTBIUNV-KRWDZBQOSA-N 2 2 360.458 0.263 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC001186105274 1206493482 /nfs/dbraw/zinc/49/34/82/1206493482.db2.gz BNHBMPHQTBIUNV-KRWDZBQOSA-N 2 2 360.458 0.263 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)C1CC1 ZINC001187706849 1207386549 /nfs/dbraw/zinc/38/65/49/1207386549.db2.gz SNZOZXDRHYOSST-GOEBONIOSA-N 2 2 359.474 0.886 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)C1CC1 ZINC001187706849 1207386554 /nfs/dbraw/zinc/38/65/54/1207386554.db2.gz SNZOZXDRHYOSST-GOEBONIOSA-N 2 2 359.474 0.886 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219214 1207434874 /nfs/dbraw/zinc/43/48/74/1207434874.db2.gz HVLUUJMULXGUIS-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219214 1207434876 /nfs/dbraw/zinc/43/48/76/1207434876.db2.gz HVLUUJMULXGUIS-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219214 1207434880 /nfs/dbraw/zinc/43/48/80/1207434880.db2.gz HVLUUJMULXGUIS-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219214 1207434883 /nfs/dbraw/zinc/43/48/83/1207434883.db2.gz HVLUUJMULXGUIS-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127591 1207509304 /nfs/dbraw/zinc/50/93/04/1207509304.db2.gz YIKRUNKAXKROMT-BPQIPLTHSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127591 1207509310 /nfs/dbraw/zinc/50/93/10/1207509310.db2.gz YIKRUNKAXKROMT-BPQIPLTHSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127591 1207509315 /nfs/dbraw/zinc/50/93/15/1207509315.db2.gz YIKRUNKAXKROMT-BPQIPLTHSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127591 1207509319 /nfs/dbraw/zinc/50/93/19/1207509319.db2.gz YIKRUNKAXKROMT-BPQIPLTHSA-N 2 2 362.518 0.777 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189134722 1207510597 /nfs/dbraw/zinc/51/05/97/1207510597.db2.gz DHZUYMVFMNKEIO-HLLBOEOZSA-N 2 2 359.474 0.423 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189134722 1207510606 /nfs/dbraw/zinc/51/06/06/1207510606.db2.gz DHZUYMVFMNKEIO-HLLBOEOZSA-N 2 2 359.474 0.423 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001189433812 1207550126 /nfs/dbraw/zinc/55/01/26/1207550126.db2.gz WQDSIHADPPMWEE-DOTOQJQBSA-N 2 2 359.474 0.783 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787596 1207602918 /nfs/dbraw/zinc/60/29/18/1207602918.db2.gz RBMXLIKEPRIWLN-IJEWVQPXSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787596 1207602927 /nfs/dbraw/zinc/60/29/27/1207602927.db2.gz RBMXLIKEPRIWLN-IJEWVQPXSA-N 2 2 361.490 0.799 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999132 1207635588 /nfs/dbraw/zinc/63/55/88/1207635588.db2.gz MNIOTNLFDPGWCI-USXIJHARSA-N 2 2 361.490 0.930 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189999132 1207635593 /nfs/dbraw/zinc/63/55/93/1207635593.db2.gz MNIOTNLFDPGWCI-USXIJHARSA-N 2 2 361.490 0.930 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001190177552 1207657533 /nfs/dbraw/zinc/65/75/33/1207657533.db2.gz OSKFZKLWPHEUMN-BHYGNILZSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]21 ZINC001190177552 1207657536 /nfs/dbraw/zinc/65/75/36/1207657536.db2.gz OSKFZKLWPHEUMN-BHYGNILZSA-N 2 2 361.490 0.885 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001190467594 1207690798 /nfs/dbraw/zinc/69/07/98/1207690798.db2.gz WAKUOPDVAWENNB-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001190467594 1207690803 /nfs/dbraw/zinc/69/08/03/1207690803.db2.gz WAKUOPDVAWENNB-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757024 1207717210 /nfs/dbraw/zinc/71/72/10/1207717210.db2.gz ZJNJHYAFQCQYSK-BZUAXINKSA-N 2 2 363.462 0.199 20 0 FCADLP CC(=O)NCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190757024 1207717214 /nfs/dbraw/zinc/71/72/14/1207717214.db2.gz ZJNJHYAFQCQYSK-BZUAXINKSA-N 2 2 363.462 0.199 20 0 FCADLP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757024 1207717220 /nfs/dbraw/zinc/71/72/20/1207717220.db2.gz ZJNJHYAFQCQYSK-BZUAXINKSA-N 2 2 363.462 0.199 20 0 FCADLP CC(=O)NCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190757024 1207717225 /nfs/dbraw/zinc/71/72/25/1207717225.db2.gz ZJNJHYAFQCQYSK-BZUAXINKSA-N 2 2 363.462 0.199 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689406 1225016133 /nfs/dbraw/zinc/01/61/33/1225016133.db2.gz GGYAPAJPFFOFGG-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689406 1225016142 /nfs/dbraw/zinc/01/61/42/1225016142.db2.gz GGYAPAJPFFOFGG-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220689406 1225016156 /nfs/dbraw/zinc/01/61/56/1225016156.db2.gz GGYAPAJPFFOFGG-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220689406 1225016165 /nfs/dbraw/zinc/01/61/65/1225016165.db2.gz GGYAPAJPFFOFGG-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CN1CCN(c2cc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)nc[nH+]2)CC1=O ZINC000775444893 1207763222 /nfs/dbraw/zinc/76/32/22/1207763222.db2.gz DSFOVUNZSMHZEN-INIZCTEOSA-N 2 2 374.489 0.810 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001192640437 1207841015 /nfs/dbraw/zinc/84/10/15/1207841015.db2.gz XYQZDKXYFCOXMV-QZTJIDSGSA-N 2 2 370.453 0.777 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001192640437 1207841017 /nfs/dbraw/zinc/84/10/17/1207841017.db2.gz XYQZDKXYFCOXMV-QZTJIDSGSA-N 2 2 370.453 0.777 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001193961237 1207902463 /nfs/dbraw/zinc/90/24/63/1207902463.db2.gz OSAPEJQAMYNZAI-ZACQAIPSSA-N 2 2 365.522 0.886 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001193961237 1207902467 /nfs/dbraw/zinc/90/24/67/1207902467.db2.gz OSAPEJQAMYNZAI-ZACQAIPSSA-N 2 2 365.522 0.886 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001194118504 1207915271 /nfs/dbraw/zinc/91/52/71/1207915271.db2.gz IEKYYAXJDJSAMG-GUDVDZBRSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001194118504 1207915276 /nfs/dbraw/zinc/91/52/76/1207915276.db2.gz IEKYYAXJDJSAMG-GUDVDZBRSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001194118504 1207915288 /nfs/dbraw/zinc/91/52/88/1207915288.db2.gz IEKYYAXJDJSAMG-GUDVDZBRSA-N 2 2 361.486 0.849 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258207 1207927938 /nfs/dbraw/zinc/92/79/38/1207927938.db2.gz FARNVOKJDJKBKK-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258207 1207927944 /nfs/dbraw/zinc/92/79/44/1207927944.db2.gz FARNVOKJDJKBKK-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258207 1207927949 /nfs/dbraw/zinc/92/79/49/1207927949.db2.gz FARNVOKJDJKBKK-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258207 1207927952 /nfs/dbraw/zinc/92/79/52/1207927952.db2.gz FARNVOKJDJKBKK-BZUAXINKSA-N 2 2 366.506 0.031 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001194264889 1207928486 /nfs/dbraw/zinc/92/84/86/1207928486.db2.gz ISHLEDGTISEZHE-IXDOHACOSA-N 2 2 367.465 0.751 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001194264889 1207928489 /nfs/dbraw/zinc/92/84/89/1207928489.db2.gz ISHLEDGTISEZHE-IXDOHACOSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001194264889 1207928492 /nfs/dbraw/zinc/92/84/92/1207928492.db2.gz ISHLEDGTISEZHE-IXDOHACOSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001194264889 1207928494 /nfs/dbraw/zinc/92/84/94/1207928494.db2.gz ISHLEDGTISEZHE-IXDOHACOSA-N 2 2 367.465 0.751 20 0 FCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194321481 1207932585 /nfs/dbraw/zinc/93/25/85/1207932585.db2.gz XXHUMFYKQGWMMM-BZUAXINKSA-N 2 2 366.506 0.079 20 0 FCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194321481 1207932591 /nfs/dbraw/zinc/93/25/91/1207932591.db2.gz XXHUMFYKQGWMMM-BZUAXINKSA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194321481 1207932596 /nfs/dbraw/zinc/93/25/96/1207932596.db2.gz XXHUMFYKQGWMMM-BZUAXINKSA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001194321481 1207932603 /nfs/dbraw/zinc/93/26/03/1207932603.db2.gz XXHUMFYKQGWMMM-BZUAXINKSA-N 2 2 366.506 0.079 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290176 1207934395 /nfs/dbraw/zinc/93/43/95/1207934395.db2.gz PTULNKKLOLVUHF-IAGOWNOFSA-N 2 2 358.446 0.003 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290176 1207934401 /nfs/dbraw/zinc/93/44/01/1207934401.db2.gz PTULNKKLOLVUHF-IAGOWNOFSA-N 2 2 358.446 0.003 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194728492 1207974297 /nfs/dbraw/zinc/97/42/97/1207974297.db2.gz AVAHKEKIEFJGSS-BZUAXINKSA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194728492 1207974302 /nfs/dbraw/zinc/97/43/02/1207974302.db2.gz AVAHKEKIEFJGSS-BZUAXINKSA-N 2 2 359.430 0.153 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708165 1208035688 /nfs/dbraw/zinc/03/56/88/1208035688.db2.gz GTMWRNNCTGZVHP-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708165 1208035691 /nfs/dbraw/zinc/03/56/91/1208035691.db2.gz GTMWRNNCTGZVHP-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893536 1208043563 /nfs/dbraw/zinc/04/35/63/1208043563.db2.gz HSQLWLHKYGKNNA-RBSFLKMASA-N 2 2 367.494 0.095 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893536 1208043568 /nfs/dbraw/zinc/04/35/68/1208043568.db2.gz HSQLWLHKYGKNNA-RBSFLKMASA-N 2 2 367.494 0.095 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893536 1208043573 /nfs/dbraw/zinc/04/35/73/1208043573.db2.gz HSQLWLHKYGKNNA-RBSFLKMASA-N 2 2 367.494 0.095 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893536 1208043575 /nfs/dbraw/zinc/04/35/75/1208043575.db2.gz HSQLWLHKYGKNNA-RBSFLKMASA-N 2 2 367.494 0.095 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222225 1208067584 /nfs/dbraw/zinc/06/75/84/1208067584.db2.gz KIPQUFSJFXTAPH-BZUAXINKSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222225 1208067587 /nfs/dbraw/zinc/06/75/87/1208067587.db2.gz KIPQUFSJFXTAPH-BZUAXINKSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222225 1208067592 /nfs/dbraw/zinc/06/75/92/1208067592.db2.gz KIPQUFSJFXTAPH-BZUAXINKSA-N 2 2 370.538 0.430 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001196252124 1208069323 /nfs/dbraw/zinc/06/93/23/1208069323.db2.gz SPTGTYCTLJKGOF-YFHUEUNASA-N 2 2 362.474 0.502 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001196252124 1208069326 /nfs/dbraw/zinc/06/93/26/1208069326.db2.gz SPTGTYCTLJKGOF-YFHUEUNASA-N 2 2 362.474 0.502 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001196275513 1208071693 /nfs/dbraw/zinc/07/16/93/1208071693.db2.gz DFDYPRSVRCMIBK-IXDOHACOSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O)[NH+](C)C ZINC001196275513 1208071696 /nfs/dbraw/zinc/07/16/96/1208071696.db2.gz DFDYPRSVRCMIBK-IXDOHACOSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196299357 1208074029 /nfs/dbraw/zinc/07/40/29/1208074029.db2.gz KIKCZJWKCWGJGG-KBAYOESNSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196299357 1208074030 /nfs/dbraw/zinc/07/40/30/1208074030.db2.gz KIKCZJWKCWGJGG-KBAYOESNSA-N 2 2 362.474 0.244 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O ZINC001196939045 1208122907 /nfs/dbraw/zinc/12/29/07/1208122907.db2.gz DGQFKZGJLPUUQN-QZTJIDSGSA-N 2 2 369.506 0.219 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001196939045 1208122911 /nfs/dbraw/zinc/12/29/11/1208122911.db2.gz DGQFKZGJLPUUQN-QZTJIDSGSA-N 2 2 369.506 0.219 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001197049546 1208130584 /nfs/dbraw/zinc/13/05/84/1208130584.db2.gz NNVAFOIOYYFQET-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@H]1O ZINC001197049546 1208130592 /nfs/dbraw/zinc/13/05/92/1208130592.db2.gz NNVAFOIOYYFQET-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001197493685 1208171625 /nfs/dbraw/zinc/17/16/25/1208171625.db2.gz YGGHVBGKKBHZNJ-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001197493685 1208171626 /nfs/dbraw/zinc/17/16/26/1208171626.db2.gz YGGHVBGKKBHZNJ-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001197493685 1208171627 /nfs/dbraw/zinc/17/16/27/1208171627.db2.gz YGGHVBGKKBHZNJ-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@H]1O ZINC001197493685 1208171628 /nfs/dbraw/zinc/17/16/28/1208171628.db2.gz YGGHVBGKKBHZNJ-IAGOWNOFSA-N 2 2 362.474 0.049 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001197793047 1208197510 /nfs/dbraw/zinc/19/75/10/1208197510.db2.gz XKDABBYGKWJVJP-QZTJIDSGSA-N 2 2 358.442 0.341 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O ZINC001197793047 1208197512 /nfs/dbraw/zinc/19/75/12/1208197512.db2.gz XKDABBYGKWJVJP-QZTJIDSGSA-N 2 2 358.442 0.341 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001197948287 1208208487 /nfs/dbraw/zinc/20/84/87/1208208487.db2.gz GDMBBUOFEZWESR-HZPDHXFCSA-N 2 2 365.478 0.187 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)n1 ZINC001197948287 1208208491 /nfs/dbraw/zinc/20/84/91/1208208491.db2.gz GDMBBUOFEZWESR-HZPDHXFCSA-N 2 2 365.478 0.187 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198003945 1208210687 /nfs/dbraw/zinc/21/06/87/1208210687.db2.gz OMTRPCFNLBOBGE-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198003945 1208210689 /nfs/dbraw/zinc/21/06/89/1208210689.db2.gz OMTRPCFNLBOBGE-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198003945 1208210692 /nfs/dbraw/zinc/21/06/92/1208210692.db2.gz OMTRPCFNLBOBGE-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198003945 1208210695 /nfs/dbraw/zinc/21/06/95/1208210695.db2.gz OMTRPCFNLBOBGE-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2CC)C[C@H]1O ZINC001198046419 1208213695 /nfs/dbraw/zinc/21/36/95/1208213695.db2.gz CWFSSPGDDCABJU-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2CC)C[C@H]1O ZINC001198046419 1208213698 /nfs/dbraw/zinc/21/36/98/1208213698.db2.gz CWFSSPGDDCABJU-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2CC)C[C@H]1O ZINC001198046419 1208213699 /nfs/dbraw/zinc/21/36/99/1208213699.db2.gz CWFSSPGDDCABJU-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2CC)C[C@H]1O ZINC001198046419 1208213701 /nfs/dbraw/zinc/21/37/01/1208213701.db2.gz CWFSSPGDDCABJU-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)n2cc(C[NH3+])cnc2=N)cc1 ZINC001198036622 1208216075 /nfs/dbraw/zinc/21/60/75/1208216075.db2.gz NKKBYHZWPVGULU-UHFFFAOYSA-N 3 2 356.474 0.893 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)n2cc(C[NH3+])cnc2=N)cc1 ZINC001198036622 1208216079 /nfs/dbraw/zinc/21/60/79/1208216079.db2.gz NKKBYHZWPVGULU-UHFFFAOYSA-N 3 2 356.474 0.893 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511627 1208262064 /nfs/dbraw/zinc/26/20/64/1208262064.db2.gz MEFOWWKXINBBBT-OAGGEKHMSA-N 2 2 363.462 0.217 20 0 FCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511627 1208262070 /nfs/dbraw/zinc/26/20/70/1208262070.db2.gz MEFOWWKXINBBBT-OAGGEKHMSA-N 2 2 363.462 0.217 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729694 1208283991 /nfs/dbraw/zinc/28/39/91/1208283991.db2.gz XQOWMNAHWOJJHF-CGTJXYLNSA-N 2 2 361.490 0.965 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729694 1208283995 /nfs/dbraw/zinc/28/39/95/1208283995.db2.gz XQOWMNAHWOJJHF-CGTJXYLNSA-N 2 2 361.490 0.965 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199065185 1208315225 /nfs/dbraw/zinc/31/52/25/1208315225.db2.gz XGUFHGNTGHNHHW-BRWVUGGUSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199065185 1208315227 /nfs/dbraw/zinc/31/52/27/1208315227.db2.gz XGUFHGNTGHNHHW-BRWVUGGUSA-N 2 2 368.522 0.184 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001199071527 1208316172 /nfs/dbraw/zinc/31/61/72/1208316172.db2.gz YHAASRIKUWJMAJ-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)n1 ZINC001199071527 1208316178 /nfs/dbraw/zinc/31/61/78/1208316178.db2.gz YHAASRIKUWJMAJ-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001199397849 1208344251 /nfs/dbraw/zinc/34/42/51/1208344251.db2.gz DGRSHSLBTGODQI-KZNAEPCWSA-N 2 2 364.490 0.766 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220757783 1225058738 /nfs/dbraw/zinc/05/87/38/1225058738.db2.gz XKDABBYGKWJVJP-MSOLQXFVSA-N 2 2 358.442 0.341 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220757783 1225058745 /nfs/dbraw/zinc/05/87/45/1225058745.db2.gz XKDABBYGKWJVJP-MSOLQXFVSA-N 2 2 358.442 0.341 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001220769545 1225062167 /nfs/dbraw/zinc/06/21/67/1225062167.db2.gz OKOCPKAVRLUUCQ-SJORKVTESA-N 2 2 356.426 0.363 20 0 FCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201737204 1208464166 /nfs/dbraw/zinc/46/41/66/1208464166.db2.gz TXKAUKPNOBKEJH-NXHRZFHOSA-N 2 2 369.506 0.482 20 0 FCADLP CN(C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001488770678 1208550696 /nfs/dbraw/zinc/55/06/96/1208550696.db2.gz CFRYOUXXHPXMCQ-OCVGTWLNSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799223 1225080109 /nfs/dbraw/zinc/08/01/09/1225080109.db2.gz ROQGXEPMUFRDMB-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799223 1225080116 /nfs/dbraw/zinc/08/01/16/1225080116.db2.gz ROQGXEPMUFRDMB-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001220807525 1225082236 /nfs/dbraw/zinc/08/22/36/1225082236.db2.gz VXMGEMGMTUQRKP-SJORKVTESA-N 2 2 362.474 0.179 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001220807525 1225082241 /nfs/dbraw/zinc/08/22/41/1225082241.db2.gz VXMGEMGMTUQRKP-SJORKVTESA-N 2 2 362.474 0.179 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821789 1225087144 /nfs/dbraw/zinc/08/71/44/1225087144.db2.gz GQSAZODGVAVDCH-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821789 1225087156 /nfs/dbraw/zinc/08/71/56/1225087156.db2.gz GQSAZODGVAVDCH-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821789 1225087164 /nfs/dbraw/zinc/08/71/64/1225087164.db2.gz GQSAZODGVAVDCH-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821789 1225087175 /nfs/dbraw/zinc/08/71/75/1225087175.db2.gz GQSAZODGVAVDCH-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220824058 1225089019 /nfs/dbraw/zinc/08/90/19/1225089019.db2.gz LENJTTMLVCQPDA-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220824058 1225089026 /nfs/dbraw/zinc/08/90/26/1225089026.db2.gz LENJTTMLVCQPDA-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220824058 1225089032 /nfs/dbraw/zinc/08/90/32/1225089032.db2.gz LENJTTMLVCQPDA-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220824058 1225089044 /nfs/dbraw/zinc/08/90/44/1225089044.db2.gz LENJTTMLVCQPDA-SJORKVTESA-N 2 2 368.522 0.138 20 0 FCADLP COC(=O)[C@@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)c1c[nH]c2ccc(OC)cc21 ZINC001220840641 1225100796 /nfs/dbraw/zinc/10/07/96/1225100796.db2.gz RKEPVRHPCNDXMZ-HNNXBMFYSA-N 2 2 374.441 0.630 20 0 FCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC1 ZINC001490046201 1209226183 /nfs/dbraw/zinc/22/61/83/1209226183.db2.gz BURQVZAODVKFCC-CABCVRRESA-N 2 2 359.474 0.601 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001220888749 1225124769 /nfs/dbraw/zinc/12/47/69/1225124769.db2.gz VYWUEXKUVGNBSD-MSOLQXFVSA-N 2 2 358.442 0.207 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001220888749 1225124772 /nfs/dbraw/zinc/12/47/72/1225124772.db2.gz VYWUEXKUVGNBSD-MSOLQXFVSA-N 2 2 358.442 0.207 20 0 FCADLP Cc1nc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)oc1C ZINC001490492167 1209359770 /nfs/dbraw/zinc/35/97/70/1209359770.db2.gz FSZHVMXOCVVHON-NVXWUHKLSA-N 2 2 363.506 0.865 20 0 FCADLP Cc1nc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)oc1C ZINC001490492167 1209359775 /nfs/dbraw/zinc/35/97/75/1209359775.db2.gz FSZHVMXOCVVHON-NVXWUHKLSA-N 2 2 363.506 0.865 20 0 FCADLP C[C@H](CC[NH+]1CC[C@@H](N2CCOC2=O)C1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437488 1209550568 /nfs/dbraw/zinc/55/05/68/1209550568.db2.gz YKYDBGALGBLKLQ-OAGGEKHMSA-N 2 2 366.462 0.818 20 0 FCADLP C[C@H](CC[NH+]1CC[C@@H](N2CCOC2=O)C1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437488 1209550579 /nfs/dbraw/zinc/55/05/79/1209550579.db2.gz YKYDBGALGBLKLQ-OAGGEKHMSA-N 2 2 366.462 0.818 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926455 1225144436 /nfs/dbraw/zinc/14/44/36/1225144436.db2.gz MXYNFPZUJCPDCF-SFHVURJKSA-N 3 2 356.474 0.713 20 0 FCADLP O=C(NCC1CCN(C(=O)c2cccnc2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220928399 1225145290 /nfs/dbraw/zinc/14/52/90/1225145290.db2.gz OGHJJFWWWFBXRD-QFBILLFUSA-N 2 2 357.458 0.002 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001110661494 1209584033 /nfs/dbraw/zinc/58/40/33/1209584033.db2.gz VBUSUFPQROMHDG-ZJPYXAASSA-N 2 2 371.489 0.432 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001110661494 1209584038 /nfs/dbraw/zinc/58/40/38/1209584038.db2.gz VBUSUFPQROMHDG-ZJPYXAASSA-N 2 2 371.489 0.432 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000857101849 1209741437 /nfs/dbraw/zinc/74/14/37/1209741437.db2.gz KCHKDSMKTIUYFD-KXBFYZLASA-N 2 2 353.426 0.828 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220968853 1225165323 /nfs/dbraw/zinc/16/53/23/1225165323.db2.gz GFRPJHKNMITWQG-INIZCTEOSA-N 3 2 355.442 0.365 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220968962 1225165478 /nfs/dbraw/zinc/16/54/78/1225165478.db2.gz JHZWOTYFRAXZMN-GOSISDBHSA-N 3 2 357.458 0.883 20 0 FCADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000861764389 1209881087 /nfs/dbraw/zinc/88/10/87/1209881087.db2.gz PPLNRMBCOVYLNJ-AWEZNQCLSA-N 2 2 361.490 0.643 20 0 FCADLP O=C(NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220974634 1225169636 /nfs/dbraw/zinc/16/96/36/1225169636.db2.gz FUNPKTSHKZMIES-OXQOHEQNSA-N 3 2 360.477 0.806 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000866633547 1210000080 /nfs/dbraw/zinc/00/00/80/1210000080.db2.gz JMMJJQDMGAKNGG-MTGFJVSHSA-N 2 2 359.470 0.410 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000866633547 1210000083 /nfs/dbraw/zinc/00/00/83/1210000083.db2.gz JMMJJQDMGAKNGG-MTGFJVSHSA-N 2 2 359.470 0.410 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994486 1225179590 /nfs/dbraw/zinc/17/95/90/1225179590.db2.gz TUPRKWPYCKBWDZ-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994486 1225179594 /nfs/dbraw/zinc/17/95/94/1225179594.db2.gz TUPRKWPYCKBWDZ-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994478 1225179764 /nfs/dbraw/zinc/17/97/64/1225179764.db2.gz STCIHHQEASMMFS-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994478 1225179765 /nfs/dbraw/zinc/17/97/65/1225179765.db2.gz STCIHHQEASMMFS-IKGGRYGDSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000868305239 1210050745 /nfs/dbraw/zinc/05/07/45/1210050745.db2.gz SCIQNEXBGUDKMS-QAQDUYKDSA-N 2 2 373.501 0.616 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001220994283 1225178953 /nfs/dbraw/zinc/17/89/53/1225178953.db2.gz KJOHHVSNSZVQSQ-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001220994283 1225178956 /nfs/dbraw/zinc/17/89/56/1225178956.db2.gz KJOHHVSNSZVQSQ-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/CN3CCOCC3)CC2)CC1 ZINC000868924164 1210078410 /nfs/dbraw/zinc/07/84/10/1210078410.db2.gz YLJQWKAQIHSMAG-HWKANZROSA-N 2 2 364.534 0.893 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/CN3CCOCC3)CC2)CC1 ZINC000868924164 1210078412 /nfs/dbraw/zinc/07/84/12/1210078412.db2.gz YLJQWKAQIHSMAG-HWKANZROSA-N 2 2 364.534 0.893 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)c1 ZINC000870978447 1210124082 /nfs/dbraw/zinc/12/40/82/1210124082.db2.gz VFDJXEOJKMKVTL-MRXNPFEDSA-N 2 2 369.469 0.995 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)c1 ZINC000870978447 1210124090 /nfs/dbraw/zinc/12/40/90/1210124090.db2.gz VFDJXEOJKMKVTL-MRXNPFEDSA-N 2 2 369.469 0.995 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+]C3)C2)c1 ZINC001221060644 1225204151 /nfs/dbraw/zinc/20/41/51/1225204151.db2.gz INUKHHVUDWEKLY-SJORKVTESA-N 2 2 374.485 0.502 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C3)C2)c1 ZINC001221060644 1225204155 /nfs/dbraw/zinc/20/41/55/1225204155.db2.gz INUKHHVUDWEKLY-SJORKVTESA-N 2 2 374.485 0.502 20 0 FCADLP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000875337308 1210366831 /nfs/dbraw/zinc/36/68/31/1210366831.db2.gz NTXLQDOSXXNVQT-MRXNPFEDSA-N 2 2 361.490 0.941 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)n1C ZINC000875355323 1210368264 /nfs/dbraw/zinc/36/82/64/1210368264.db2.gz KPSWISXIISJSDT-UHFFFAOYSA-N 2 2 364.494 0.740 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000875894216 1210396223 /nfs/dbraw/zinc/39/62/23/1210396223.db2.gz MJZAPWRXZMOBQP-HNNXBMFYSA-N 2 2 369.510 0.596 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)OC)CC2)CC1 ZINC000875894216 1210396226 /nfs/dbraw/zinc/39/62/26/1210396226.db2.gz MJZAPWRXZMOBQP-HNNXBMFYSA-N 2 2 369.510 0.596 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221072979 1225210171 /nfs/dbraw/zinc/21/01/71/1225210171.db2.gz ALZSGKJBFSTIAT-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221072979 1225210177 /nfs/dbraw/zinc/21/01/77/1225210177.db2.gz ALZSGKJBFSTIAT-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[NH+](CC2CC[NH+](Cc3cn(C[C@@H]4CCCO4)nn3)CC2)CC1 ZINC000877524944 1210446852 /nfs/dbraw/zinc/44/68/52/1210446852.db2.gz LOKBUEXYMNDLQV-IBGZPJMESA-N 2 2 362.522 0.917 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079166 1225213275 /nfs/dbraw/zinc/21/32/75/1225213275.db2.gz LTPBBRJDCKGKOK-WBVHZDCISA-N 2 2 364.494 0.144 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079166 1225213281 /nfs/dbraw/zinc/21/32/81/1225213281.db2.gz LTPBBRJDCKGKOK-WBVHZDCISA-N 2 2 364.494 0.144 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1cc[nH]n1)CC2 ZINC001137128926 1210455483 /nfs/dbraw/zinc/45/54/83/1210455483.db2.gz FBFWIUPTNGJMNP-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1cc[nH]n1)CC2 ZINC001137128926 1210455486 /nfs/dbraw/zinc/45/54/86/1210455486.db2.gz FBFWIUPTNGJMNP-UHFFFAOYSA-N 2 2 354.418 0.328 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC000826075780 1210466687 /nfs/dbraw/zinc/46/66/87/1210466687.db2.gz ZZXVJMPFCCEXOD-IBGZPJMESA-N 2 2 372.513 0.961 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC000826075780 1210466689 /nfs/dbraw/zinc/46/66/89/1210466689.db2.gz ZZXVJMPFCCEXOD-IBGZPJMESA-N 2 2 372.513 0.961 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000826075780 1210466694 /nfs/dbraw/zinc/46/66/94/1210466694.db2.gz ZZXVJMPFCCEXOD-IBGZPJMESA-N 2 2 372.513 0.961 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000826075780 1210466697 /nfs/dbraw/zinc/46/66/97/1210466697.db2.gz ZZXVJMPFCCEXOD-IBGZPJMESA-N 2 2 372.513 0.961 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083423 1225214850 /nfs/dbraw/zinc/21/48/50/1225214850.db2.gz KUNCCUXEBBQKJA-ZACQAIPSSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083423 1225214854 /nfs/dbraw/zinc/21/48/54/1225214854.db2.gz KUNCCUXEBBQKJA-ZACQAIPSSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083423 1225214859 /nfs/dbraw/zinc/21/48/59/1225214859.db2.gz KUNCCUXEBBQKJA-ZACQAIPSSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001221083423 1225214866 /nfs/dbraw/zinc/21/48/66/1225214866.db2.gz KUNCCUXEBBQKJA-ZACQAIPSSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001221091920 1225219697 /nfs/dbraw/zinc/21/96/97/1225219697.db2.gz ZZGVNVCEQYZYDY-MOPGFXCFSA-N 2 2 371.485 0.874 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001221091920 1225219703 /nfs/dbraw/zinc/21/97/03/1225219703.db2.gz ZZGVNVCEQYZYDY-MOPGFXCFSA-N 2 2 371.485 0.874 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001221091920 1225219710 /nfs/dbraw/zinc/21/97/10/1225219710.db2.gz ZZGVNVCEQYZYDY-MOPGFXCFSA-N 2 2 371.485 0.874 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001221091920 1225219715 /nfs/dbraw/zinc/21/97/15/1225219715.db2.gz ZZGVNVCEQYZYDY-MOPGFXCFSA-N 2 2 371.485 0.874 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091148 1225217493 /nfs/dbraw/zinc/21/74/93/1225217493.db2.gz DDPNSTCVOOUNLH-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091148 1225217498 /nfs/dbraw/zinc/21/74/98/1225217498.db2.gz DDPNSTCVOOUNLH-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091148 1225217500 /nfs/dbraw/zinc/21/75/00/1225217500.db2.gz DDPNSTCVOOUNLH-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001221091148 1225217507 /nfs/dbraw/zinc/21/75/07/1225217507.db2.gz DDPNSTCVOOUNLH-ZACQAIPSSA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417290 1210665377 /nfs/dbraw/zinc/66/53/77/1210665377.db2.gz VTCZQBICGTWJRL-DLBZAZTESA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417290 1210665380 /nfs/dbraw/zinc/66/53/80/1210665380.db2.gz VTCZQBICGTWJRL-DLBZAZTESA-N 2 2 364.490 0.898 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000883640632 1210677717 /nfs/dbraw/zinc/67/77/17/1210677717.db2.gz UYJNBAKALBCWLY-SFHVURJKSA-N 2 2 374.485 0.079 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](C[NH2+]C)C3)CC2)cc1 ZINC000883639726 1210677809 /nfs/dbraw/zinc/67/78/09/1210677809.db2.gz XELVVKRKUUJMOK-IBGZPJMESA-N 2 2 372.513 0.961 20 0 FCADLP O=C(C(=O)N1CC[NH2+]CCC12CCC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883656924 1210681962 /nfs/dbraw/zinc/68/19/62/1210681962.db2.gz NKKXTISBOVJGNO-MRXNPFEDSA-N 2 2 364.490 0.054 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)C[C@@H]3CCCO3)CC2)CC1 ZINC000884124311 1210716315 /nfs/dbraw/zinc/71/63/15/1210716315.db2.gz UGAHQUNPFJRTBF-WMZOPIPTSA-N 2 2 368.522 0.774 20 0 FCADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000884573540 1210754186 /nfs/dbraw/zinc/75/41/86/1210754186.db2.gz OEHXGRVPJWVJFN-CVEARBPZSA-N 2 2 353.426 0.145 20 0 FCADLP CC1(C)CC[C@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)[NH2+]C1 ZINC000884627991 1210766729 /nfs/dbraw/zinc/76/67/29/1210766729.db2.gz JIIVCWCPQPTTEE-CQSZACIVSA-N 2 2 361.490 0.773 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884681833 1210779084 /nfs/dbraw/zinc/77/90/84/1210779084.db2.gz HMBHNNCTBQOCQM-RDJZCZTQSA-N 2 2 355.442 0.856 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884692086 1210781971 /nfs/dbraw/zinc/78/19/71/1210781971.db2.gz GFLIJNGWVJBTTO-NVXWUHKLSA-N 2 2 355.442 0.856 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000884726630 1210790455 /nfs/dbraw/zinc/79/04/55/1210790455.db2.gz YASVFAFXTNPJNB-SCNOPHJPSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000884726630 1210790463 /nfs/dbraw/zinc/79/04/63/1210790463.db2.gz YASVFAFXTNPJNB-SCNOPHJPSA-N 2 2 356.470 0.794 20 0 FCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884775019 1210793718 /nfs/dbraw/zinc/79/37/18/1210793718.db2.gz WNCLGSBFZYYDID-LVQVYYBASA-N 2 2 368.522 0.495 20 0 FCADLP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884775019 1210793725 /nfs/dbraw/zinc/79/37/25/1210793725.db2.gz WNCLGSBFZYYDID-LVQVYYBASA-N 2 2 368.522 0.495 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797802 1210796961 /nfs/dbraw/zinc/79/69/61/1210796961.db2.gz XUGWMTWLHUKTOF-RDJZCZTQSA-N 2 2 362.474 0.036 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797802 1210796968 /nfs/dbraw/zinc/79/69/68/1210796968.db2.gz XUGWMTWLHUKTOF-RDJZCZTQSA-N 2 2 362.474 0.036 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)[NH2+]C1 ZINC000884875867 1210802264 /nfs/dbraw/zinc/80/22/64/1210802264.db2.gz NXANFPPUVXZXOI-HNNXBMFYSA-N 2 2 359.474 0.625 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)c1 ZINC000885017682 1210808727 /nfs/dbraw/zinc/80/87/27/1210808727.db2.gz BIRZJNNJDZPSLE-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)c1 ZINC000885017682 1210808728 /nfs/dbraw/zinc/80/87/28/1210808728.db2.gz BIRZJNNJDZPSLE-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[C@H]1F ZINC000885227783 1210816494 /nfs/dbraw/zinc/81/64/94/1210816494.db2.gz MZSLVFNUYDDFFK-BZUAXINKSA-N 2 2 359.405 0.638 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000885290904 1210817517 /nfs/dbraw/zinc/81/75/17/1210817517.db2.gz HDSOAAFKJTUENC-CYBMUJFWSA-N 2 2 367.400 0.091 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(=O)NCC1CCC1 ZINC001691715487 1210842500 /nfs/dbraw/zinc/84/25/00/1210842500.db2.gz QLYZVUWQIRBALL-ZBFHGGJFSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(=O)NCC1CCC1 ZINC001691715487 1210842503 /nfs/dbraw/zinc/84/25/03/1210842503.db2.gz QLYZVUWQIRBALL-ZBFHGGJFSA-N 2 2 350.507 0.824 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887132684 1210849246 /nfs/dbraw/zinc/84/92/46/1210849246.db2.gz KZCZIYBQVZUHLZ-DOTOQJQBSA-N 2 2 359.474 0.719 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887132684 1210849247 /nfs/dbraw/zinc/84/92/47/1210849247.db2.gz KZCZIYBQVZUHLZ-DOTOQJQBSA-N 2 2 359.474 0.719 20 0 FCADLP CC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C(=O)N(C)C)[C@H](c3cn(C)c[nH+]3)C2)C1 ZINC001274192924 1210906691 /nfs/dbraw/zinc/90/66/91/1210906691.db2.gz APGVFIGMRKBLJW-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP CC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C(=O)N(C)C)[C@H](c3cn(C)c[nH+]3)C2)C1 ZINC001274192924 1210906696 /nfs/dbraw/zinc/90/66/96/1210906696.db2.gz APGVFIGMRKBLJW-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162843 1225248674 /nfs/dbraw/zinc/24/86/74/1225248674.db2.gz IQCKIMLSPXWFRC-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162843 1225248676 /nfs/dbraw/zinc/24/86/76/1225248676.db2.gz IQCKIMLSPXWFRC-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162843 1225248677 /nfs/dbraw/zinc/24/86/77/1225248677.db2.gz IQCKIMLSPXWFRC-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O)Cc1ccccc1 ZINC001221162843 1225248681 /nfs/dbraw/zinc/24/86/81/1225248681.db2.gz IQCKIMLSPXWFRC-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3[C@H]1CCC[N@@H+]3CCO)n2C ZINC000889760409 1210947947 /nfs/dbraw/zinc/94/79/47/1210947947.db2.gz FYWFYQHYICFVSQ-HUUCEWRRSA-N 2 2 372.473 0.706 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001110845668 1210991623 /nfs/dbraw/zinc/99/16/23/1210991623.db2.gz RZWRIDZPVHJEFB-FPCVCCKLSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001110845668 1210991626 /nfs/dbraw/zinc/99/16/26/1210991626.db2.gz RZWRIDZPVHJEFB-FPCVCCKLSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001110845669 1210991855 /nfs/dbraw/zinc/99/18/55/1210991855.db2.gz RZWRIDZPVHJEFB-QXSJWSMHSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001110845669 1210991861 /nfs/dbraw/zinc/99/18/61/1210991861.db2.gz RZWRIDZPVHJEFB-QXSJWSMHSA-N 2 2 369.473 0.853 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877721 1211007715 /nfs/dbraw/zinc/00/77/15/1211007715.db2.gz ZPFNKYPETADEJI-TWMKSMIVSA-N 2 2 366.462 0.019 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877721 1211007720 /nfs/dbraw/zinc/00/77/20/1211007720.db2.gz ZPFNKYPETADEJI-TWMKSMIVSA-N 2 2 366.462 0.019 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CCCC3(C[NH+](Cc4cn[nH]c4)C3)C2)CC1 ZINC001274370063 1211038832 /nfs/dbraw/zinc/03/88/32/1211038832.db2.gz MMALPISTXNAQLS-UHFFFAOYSA-N 2 2 360.506 0.472 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274418670 1211049553 /nfs/dbraw/zinc/04/95/53/1211049553.db2.gz JADZMVJFPQBKQQ-FGTMMUONSA-N 2 2 359.474 0.137 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274466461 1211060859 /nfs/dbraw/zinc/06/08/59/1211060859.db2.gz ZAOOAADIFYZKKN-BBWFWOEESA-N 2 2 361.490 0.668 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274466461 1211060861 /nfs/dbraw/zinc/06/08/61/1211060861.db2.gz ZAOOAADIFYZKKN-BBWFWOEESA-N 2 2 361.490 0.668 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)(C1)C2 ZINC001274574979 1211083268 /nfs/dbraw/zinc/08/32/68/1211083268.db2.gz LFGPIEYIHXTQOR-MNNVXMFVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)(C1)C2 ZINC001274574979 1211083271 /nfs/dbraw/zinc/08/32/71/1211083271.db2.gz LFGPIEYIHXTQOR-MNNVXMFVSA-N 2 2 366.506 0.156 20 0 FCADLP O=C1CC[C@H](C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149278 1211181690 /nfs/dbraw/zinc/18/16/90/1211181690.db2.gz WCMQIBPZHCMLMP-KDOFPFPSSA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@H](C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149278 1211181693 /nfs/dbraw/zinc/18/16/93/1211181693.db2.gz WCMQIBPZHCMLMP-KDOFPFPSSA-N 2 2 359.430 0.003 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CCC12CC[NH+](CCN1CCOCC1)CC2 ZINC001275287851 1211209208 /nfs/dbraw/zinc/20/92/08/1211209208.db2.gz UWLAKMCKHSXDGJ-UHFFFAOYSA-N 2 2 361.490 0.530 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001275370858 1211224857 /nfs/dbraw/zinc/22/48/57/1211224857.db2.gz QDCNXNYKERZVKA-SFHVURJKSA-N 2 2 356.430 0.843 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001275370858 1211224859 /nfs/dbraw/zinc/22/48/59/1211224859.db2.gz QDCNXNYKERZVKA-SFHVURJKSA-N 2 2 356.430 0.843 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](Cc3ncccn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275428868 1211235071 /nfs/dbraw/zinc/23/50/71/1211235071.db2.gz DACRARAHAFTIRM-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](Cc3ncccn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275428868 1211235074 /nfs/dbraw/zinc/23/50/74/1211235074.db2.gz DACRARAHAFTIRM-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001275442144 1211238328 /nfs/dbraw/zinc/23/83/28/1211238328.db2.gz CJNLQDFHAZHUSM-GOSISDBHSA-N 2 2 364.446 0.166 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001275442144 1211238330 /nfs/dbraw/zinc/23/83/30/1211238330.db2.gz CJNLQDFHAZHUSM-GOSISDBHSA-N 2 2 364.446 0.166 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275447658 1211239043 /nfs/dbraw/zinc/23/90/43/1211239043.db2.gz MMVLWRBSKNYDIW-SCLBCKFNSA-N 2 2 362.430 0.107 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275447658 1211239045 /nfs/dbraw/zinc/23/90/45/1211239045.db2.gz MMVLWRBSKNYDIW-SCLBCKFNSA-N 2 2 362.430 0.107 20 0 FCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@H]2C(=O)NC[C@@H]2CCC(=O)N2)CC1 ZINC001275456255 1211242716 /nfs/dbraw/zinc/24/27/16/1211242716.db2.gz YBWWVINQGOVBSP-GJZGRUSLSA-N 2 2 357.458 0.491 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511556 1211252308 /nfs/dbraw/zinc/25/23/08/1211252308.db2.gz KDYCEZYWXUVIRU-HNAYVOBHSA-N 2 2 369.506 0.829 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511556 1211252310 /nfs/dbraw/zinc/25/23/10/1211252310.db2.gz KDYCEZYWXUVIRU-HNAYVOBHSA-N 2 2 369.506 0.829 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511553 1211252543 /nfs/dbraw/zinc/25/25/43/1211252543.db2.gz KDYCEZYWXUVIRU-BEFAXECRSA-N 2 2 369.506 0.829 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001275511553 1211252546 /nfs/dbraw/zinc/25/25/46/1211252546.db2.gz KDYCEZYWXUVIRU-BEFAXECRSA-N 2 2 369.506 0.829 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2C[C@]3(F)CN(C[C@@H]4CCC(=O)N4)C(=O)[C@]3(F)C2)CC1 ZINC001275555491 1211256809 /nfs/dbraw/zinc/25/68/09/1211256809.db2.gz UWUNZKJESRLTGX-JCGIZDLHSA-N 2 2 370.444 0.181 20 0 FCADLP C[NH+]1CCC(C[N@H+]2C[C@]3(F)CN(C[C@@H]4CCC(=O)N4)C(=O)[C@]3(F)C2)CC1 ZINC001275555491 1211256813 /nfs/dbraw/zinc/25/68/13/1211256813.db2.gz UWUNZKJESRLTGX-JCGIZDLHSA-N 2 2 370.444 0.181 20 0 FCADLP Nc1ncc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)s1 ZINC001275732529 1211277120 /nfs/dbraw/zinc/27/71/20/1211277120.db2.gz GXKUJCRGCDCBEW-QGZVFWFLSA-N 2 2 374.470 0.963 20 0 FCADLP Nc1ncc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)s1 ZINC001275732529 1211277123 /nfs/dbraw/zinc/27/71/23/1211277123.db2.gz GXKUJCRGCDCBEW-QGZVFWFLSA-N 2 2 374.470 0.963 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](C[C@H]1CCCOC1)C2 ZINC001275743518 1211279982 /nfs/dbraw/zinc/27/99/82/1211279982.db2.gz SJRYXZGEYHKSNE-MJGOQNOKSA-N 2 2 362.474 0.861 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](C[C@H]1CCCOC1)C2 ZINC001275743518 1211279984 /nfs/dbraw/zinc/27/99/84/1211279984.db2.gz SJRYXZGEYHKSNE-MJGOQNOKSA-N 2 2 362.474 0.861 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](C[C@H]3COC(C)(C)O3)C2)OCC1=O ZINC001275813038 1211289601 /nfs/dbraw/zinc/28/96/01/1211289601.db2.gz MXZTZAFCASRWPX-MAUKXSAKSA-N 2 2 364.446 0.375 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](C[C@H]3COC(C)(C)O3)C2)OCC1=O ZINC001275813038 1211289604 /nfs/dbraw/zinc/28/96/04/1211289604.db2.gz MXZTZAFCASRWPX-MAUKXSAKSA-N 2 2 364.446 0.375 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833582 1211293766 /nfs/dbraw/zinc/29/37/66/1211293766.db2.gz KNNLYRFKSVSXRZ-JEBQAFNWSA-N 2 2 372.460 0.557 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275833582 1211293767 /nfs/dbraw/zinc/29/37/67/1211293767.db2.gz KNNLYRFKSVSXRZ-JEBQAFNWSA-N 2 2 372.460 0.557 20 0 FCADLP COCCN1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830666 1211332804 /nfs/dbraw/zinc/33/28/04/1211332804.db2.gz ONVSTEYLAHSXFL-RDJZCZTQSA-N 2 2 366.506 0.108 20 0 FCADLP COCCN1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830666 1211332808 /nfs/dbraw/zinc/33/28/08/1211332808.db2.gz ONVSTEYLAHSXFL-RDJZCZTQSA-N 2 2 366.506 0.108 20 0 FCADLP CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424497 1211333771 /nfs/dbraw/zinc/33/37/71/1211333771.db2.gz SRGHLHLVHPSHSJ-UBDQQSCGSA-N 2 2 358.490 0.861 20 0 FCADLP CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424497 1211333776 /nfs/dbraw/zinc/33/37/76/1211333776.db2.gz SRGHLHLVHPSHSJ-UBDQQSCGSA-N 2 2 358.490 0.861 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095432070 1211335072 /nfs/dbraw/zinc/33/50/72/1211335072.db2.gz RVHQTLABYKRHCS-JLSDUUJJSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095432070 1211335075 /nfs/dbraw/zinc/33/50/75/1211335075.db2.gz RVHQTLABYKRHCS-JLSDUUJJSA-N 2 2 371.489 0.714 20 0 FCADLP CNc1nccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)n1 ZINC001276057552 1211342973 /nfs/dbraw/zinc/34/29/73/1211342973.db2.gz WOJCMLVNSIADMX-HZPDHXFCSA-N 2 2 355.446 0.980 20 0 FCADLP CNc1nccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)n1 ZINC001276057552 1211342979 /nfs/dbraw/zinc/34/29/79/1211342979.db2.gz WOJCMLVNSIADMX-HZPDHXFCSA-N 2 2 355.446 0.980 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447534 1211348319 /nfs/dbraw/zinc/34/83/19/1211348319.db2.gz AMQRUSFKAMDIFS-ORQFMDKSSA-N 2 2 373.501 0.960 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447534 1211348321 /nfs/dbraw/zinc/34/83/21/1211348321.db2.gz AMQRUSFKAMDIFS-ORQFMDKSSA-N 2 2 373.501 0.960 20 0 FCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001276111773 1211357946 /nfs/dbraw/zinc/35/79/46/1211357946.db2.gz HLHZMSMZCSMPLO-SFHVURJKSA-N 2 2 361.446 0.392 20 0 FCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001276111773 1211357948 /nfs/dbraw/zinc/35/79/48/1211357948.db2.gz HLHZMSMZCSMPLO-SFHVURJKSA-N 2 2 361.446 0.392 20 0 FCADLP O=C(C[NH+]1CCC1)N1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001276185735 1211376615 /nfs/dbraw/zinc/37/66/15/1211376615.db2.gz NBZOJHNXRDPROU-FBVQUNGASA-N 2 2 360.502 0.815 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001095641255 1211432594 /nfs/dbraw/zinc/43/25/94/1211432594.db2.gz ZFDYMYYEZRBOPE-LMSBXDPUSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001095641255 1211432596 /nfs/dbraw/zinc/43/25/96/1211432596.db2.gz ZFDYMYYEZRBOPE-LMSBXDPUSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001095684438 1211446989 /nfs/dbraw/zinc/44/69/89/1211446989.db2.gz FEULTMRGDBKOSK-CBBWQLFWSA-N 2 2 360.458 0.142 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001095684438 1211446991 /nfs/dbraw/zinc/44/69/91/1211446991.db2.gz FEULTMRGDBKOSK-CBBWQLFWSA-N 2 2 360.458 0.142 20 0 FCADLP C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693637 1211477284 /nfs/dbraw/zinc/47/72/84/1211477284.db2.gz FHTNUEGRLYZOJH-HYVNUMGLSA-N 2 2 360.458 0.758 20 0 FCADLP C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693637 1211477285 /nfs/dbraw/zinc/47/72/85/1211477285.db2.gz FHTNUEGRLYZOJH-HYVNUMGLSA-N 2 2 360.458 0.758 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925043675 1211489490 /nfs/dbraw/zinc/48/94/90/1211489490.db2.gz NYZLBNPRXHLQRQ-IRXDYDNUSA-N 2 2 360.458 0.678 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000925043675 1211489494 /nfs/dbraw/zinc/48/94/94/1211489494.db2.gz NYZLBNPRXHLQRQ-IRXDYDNUSA-N 2 2 360.458 0.678 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnnn1C ZINC000925396401 1211498812 /nfs/dbraw/zinc/49/88/12/1211498812.db2.gz LWFNNVWDTLDWKG-LSDHHAIUSA-N 2 2 372.477 0.761 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000925598222 1211503629 /nfs/dbraw/zinc/50/36/29/1211503629.db2.gz JYLKBPKEVKCDLH-MSOLQXFVSA-N 2 2 368.522 0.851 20 0 FCADLP CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000926748683 1211554471 /nfs/dbraw/zinc/55/44/71/1211554471.db2.gz IAPSHJZMBVZFPI-GJZGRUSLSA-N 2 2 370.494 0.552 20 0 FCADLP CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000926748683 1211554480 /nfs/dbraw/zinc/55/44/80/1211554480.db2.gz IAPSHJZMBVZFPI-GJZGRUSLSA-N 2 2 370.494 0.552 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000927634183 1211577793 /nfs/dbraw/zinc/57/77/93/1211577793.db2.gz FQSGEDDSFKDANY-ROUUACIJSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000927634183 1211577797 /nfs/dbraw/zinc/57/77/97/1211577797.db2.gz FQSGEDDSFKDANY-ROUUACIJSA-N 2 2 366.506 0.746 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1nnc(C)o1 ZINC001221337835 1225300118 /nfs/dbraw/zinc/30/01/18/1225300118.db2.gz RLIABRCZURVOBL-MRAWALMUSA-N 2 2 357.414 0.544 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949134 1211610594 /nfs/dbraw/zinc/61/05/94/1211610594.db2.gz ZGCJKVPAAADSIK-IDCNUPLLSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949134 1211610596 /nfs/dbraw/zinc/61/05/96/1211610596.db2.gz ZGCJKVPAAADSIK-IDCNUPLLSA-N 2 2 373.501 0.954 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000929155702 1211619584 /nfs/dbraw/zinc/61/95/84/1211619584.db2.gz HRKVUHHJYKIWII-OAHLLOKOSA-N 2 2 359.430 0.776 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCCC1 ZINC000929178927 1211621139 /nfs/dbraw/zinc/62/11/39/1211621139.db2.gz BNYMWBNMIQITSJ-DOTOQJQBSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCCC1 ZINC000929178927 1211621141 /nfs/dbraw/zinc/62/11/41/1211621141.db2.gz BNYMWBNMIQITSJ-DOTOQJQBSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000929199644 1211622661 /nfs/dbraw/zinc/62/26/61/1211622661.db2.gz BTQOWACCGYUEFN-WMZOPIPTSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000929199644 1211622663 /nfs/dbraw/zinc/62/26/63/1211622663.db2.gz BTQOWACCGYUEFN-WMZOPIPTSA-N 2 2 374.485 0.769 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403630 1211636734 /nfs/dbraw/zinc/63/67/34/1211636734.db2.gz RMPLDJBPSKFPJS-ZWKOTPCHSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000929403630 1211636736 /nfs/dbraw/zinc/63/67/36/1211636736.db2.gz RMPLDJBPSKFPJS-ZWKOTPCHSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000929403630 1211636738 /nfs/dbraw/zinc/63/67/38/1211636738.db2.gz RMPLDJBPSKFPJS-ZWKOTPCHSA-N 2 2 358.486 0.760 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NC[C@H]1CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000929403630 1211636740 /nfs/dbraw/zinc/63/67/40/1211636740.db2.gz RMPLDJBPSKFPJS-ZWKOTPCHSA-N 2 2 358.486 0.760 20 0 FCADLP Cn1ccc(N2CC[C@@H]([N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001110979745 1211683309 /nfs/dbraw/zinc/68/33/09/1211683309.db2.gz BGODQKLYOQUICK-LVQVYYBASA-N 2 2 374.489 0.199 20 0 FCADLP Cn1ccc(N2CC[C@@H]([N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001110979745 1211683310 /nfs/dbraw/zinc/68/33/10/1211683310.db2.gz BGODQKLYOQUICK-LVQVYYBASA-N 2 2 374.489 0.199 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001111035623 1211813771 /nfs/dbraw/zinc/81/37/71/1211813771.db2.gz KLHWQMPYMIJRSL-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1)[NH+](C)C ZINC001111035623 1211813772 /nfs/dbraw/zinc/81/37/72/1211813772.db2.gz KLHWQMPYMIJRSL-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC000932711513 1211817892 /nfs/dbraw/zinc/81/78/92/1211817892.db2.gz BSHSOILQYNCIIS-UHFFFAOYSA-N 2 2 374.485 0.907 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)C(=O)NCCO2 ZINC000932711513 1211817893 /nfs/dbraw/zinc/81/78/93/1211817893.db2.gz BSHSOILQYNCIIS-UHFFFAOYSA-N 2 2 374.485 0.907 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933850517 1211848710 /nfs/dbraw/zinc/84/87/10/1211848710.db2.gz IFULUZDTFKETOA-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933850517 1211848712 /nfs/dbraw/zinc/84/87/12/1211848712.db2.gz IFULUZDTFKETOA-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000933850517 1211848714 /nfs/dbraw/zinc/84/87/14/1211848714.db2.gz IFULUZDTFKETOA-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC1 ZINC001111099635 1211880517 /nfs/dbraw/zinc/88/05/17/1211880517.db2.gz PONIXZQRNUVZHH-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC1 ZINC001111099635 1211880518 /nfs/dbraw/zinc/88/05/18/1211880518.db2.gz PONIXZQRNUVZHH-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCC1 ZINC001111150132 1211900973 /nfs/dbraw/zinc/90/09/73/1211900973.db2.gz GLYVMXRQWACZQV-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCC1 ZINC001111150132 1211900976 /nfs/dbraw/zinc/90/09/76/1211900976.db2.gz GLYVMXRQWACZQV-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001111150332 1211901288 /nfs/dbraw/zinc/90/12/88/1211901288.db2.gz KYCSQTSUBQDCGA-WCVJEAGWSA-N 2 2 373.457 0.498 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001111150332 1211901291 /nfs/dbraw/zinc/90/12/91/1211901291.db2.gz KYCSQTSUBQDCGA-WCVJEAGWSA-N 2 2 373.457 0.498 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153135 1211902285 /nfs/dbraw/zinc/90/22/85/1211902285.db2.gz GHXZKVRSWWPOJX-WCXIOVBPSA-N 2 2 366.506 0.474 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153135 1211902288 /nfs/dbraw/zinc/90/22/88/1211902288.db2.gz GHXZKVRSWWPOJX-WCXIOVBPSA-N 2 2 366.506 0.474 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741193 1211951967 /nfs/dbraw/zinc/95/19/67/1211951967.db2.gz WKKHYYSYGFWHLC-YOENINGUSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741193 1211951976 /nfs/dbraw/zinc/95/19/76/1211951976.db2.gz WKKHYYSYGFWHLC-YOENINGUSA-N 2 2 354.414 0.476 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784502 1212000083 /nfs/dbraw/zinc/00/00/83/1212000083.db2.gz WBODOVIZOCGQSS-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784502 1212000087 /nfs/dbraw/zinc/00/00/87/1212000087.db2.gz WBODOVIZOCGQSS-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001095784502 1212000092 /nfs/dbraw/zinc/00/00/92/1212000092.db2.gz WBODOVIZOCGQSS-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP Cn1cncc1C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001095784502 1212000097 /nfs/dbraw/zinc/00/00/97/1212000097.db2.gz WBODOVIZOCGQSS-XFEPXBTESA-N 2 2 371.485 0.505 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC000968604233 1212042336 /nfs/dbraw/zinc/04/23/36/1212042336.db2.gz DDAAYNRZJIASOS-ZPUIDXCVSA-N 2 2 371.441 0.205 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)CC[N@H+]1C ZINC000968604233 1212042343 /nfs/dbraw/zinc/04/23/43/1212042343.db2.gz DDAAYNRZJIASOS-ZPUIDXCVSA-N 2 2 371.441 0.205 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510677 1225344618 /nfs/dbraw/zinc/34/46/18/1225344618.db2.gz CADMHLMIKFPMPE-BRWVUGGUSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221510677 1225344622 /nfs/dbraw/zinc/34/46/22/1225344622.db2.gz CADMHLMIKFPMPE-BRWVUGGUSA-N 2 2 364.490 0.909 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC000948381242 1212162231 /nfs/dbraw/zinc/16/22/31/1212162231.db2.gz JBQLVPRJZCMAGD-OWCLPIDISA-N 2 2 363.510 0.753 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nnnn3C)CC2)CC[N@H+]1C ZINC000948381242 1212162234 /nfs/dbraw/zinc/16/22/34/1212162234.db2.gz JBQLVPRJZCMAGD-OWCLPIDISA-N 2 2 363.510 0.753 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3nnnn3C)CC2)CC[NH+]1C ZINC000948381242 1212162238 /nfs/dbraw/zinc/16/22/38/1212162238.db2.gz JBQLVPRJZCMAGD-OWCLPIDISA-N 2 2 363.510 0.753 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3nnnn3C)CC2)CC[NH+]1C ZINC000948381242 1212162243 /nfs/dbraw/zinc/16/22/43/1212162243.db2.gz JBQLVPRJZCMAGD-OWCLPIDISA-N 2 2 363.510 0.753 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000948466812 1212184487 /nfs/dbraw/zinc/18/44/87/1212184487.db2.gz IZAKFTDQQJXEEL-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP 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/nfs/dbraw/zinc/99/48/71/1213994871.db2.gz KBHHZMOUGRUULG-UHOSZYNNSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733030 1213994874 /nfs/dbraw/zinc/99/48/74/1213994874.db2.gz KBHHZMOUGRUULG-UHOSZYNNSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001276825475 1225496119 /nfs/dbraw/zinc/49/61/19/1225496119.db2.gz UIFOVXZZROBOPL-APWZRJJASA-N 2 2 364.490 0.878 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001276825475 1225496122 /nfs/dbraw/zinc/49/61/22/1225496122.db2.gz UIFOVXZZROBOPL-APWZRJJASA-N 2 2 364.490 0.878 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCn1cncn1)CC2 ZINC001016829522 1214049101 /nfs/dbraw/zinc/04/91/01/1214049101.db2.gz HKZQBNFQFFLWRX-INMHGKMJSA-N 2 2 369.473 0.786 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001017051188 1214068187 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/nfs/dbraw/zinc/82/82/78/1216828278.db2.gz VBEDTUCMEKVVBV-IKGGRYGDSA-N 2 2 362.478 0.283 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001069902907 1216828279 /nfs/dbraw/zinc/82/82/79/1216828279.db2.gz VBEDTUCMEKVVBV-IKGGRYGDSA-N 2 2 362.478 0.283 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001069902907 1216828282 /nfs/dbraw/zinc/82/82/82/1216828282.db2.gz VBEDTUCMEKVVBV-IKGGRYGDSA-N 2 2 362.478 0.283 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001069902907 1216828286 /nfs/dbraw/zinc/82/82/86/1216828286.db2.gz VBEDTUCMEKVVBV-IKGGRYGDSA-N 2 2 362.478 0.283 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001069945597 1216858932 /nfs/dbraw/zinc/85/89/32/1216858932.db2.gz QSJUQFMMNQAQHN-ILXRZTDVSA-N 2 2 361.425 0.753 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCCc2[nH+]ccn21 ZINC001069945597 1216858933 /nfs/dbraw/zinc/85/89/33/1216858933.db2.gz QSJUQFMMNQAQHN-ILXRZTDVSA-N 2 2 361.425 0.753 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959090 1216867707 /nfs/dbraw/zinc/86/77/07/1216867707.db2.gz CHPZVCXTDKKJFP-LYRGGWFBSA-N 2 2 355.402 0.191 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959090 1216867708 /nfs/dbraw/zinc/86/77/08/1216867708.db2.gz CHPZVCXTDKKJFP-LYRGGWFBSA-N 2 2 355.402 0.191 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006275 1216893386 /nfs/dbraw/zinc/89/33/86/1216893386.db2.gz NFPCTDASHBRRTE-OWCLPIDISA-N 2 2 368.457 0.088 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006275 1216893390 /nfs/dbraw/zinc/89/33/90/1216893390.db2.gz NFPCTDASHBRRTE-OWCLPIDISA-N 2 2 368.457 0.088 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006275 1216893391 /nfs/dbraw/zinc/89/33/91/1216893391.db2.gz NFPCTDASHBRRTE-OWCLPIDISA-N 2 2 368.457 0.088 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)C1 ZINC001070006275 1216893392 /nfs/dbraw/zinc/89/33/92/1216893392.db2.gz NFPCTDASHBRRTE-OWCLPIDISA-N 2 2 368.457 0.088 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027017 1216905149 /nfs/dbraw/zinc/90/51/49/1216905149.db2.gz NNLPNWPUFYVMDH-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027017 1216905154 /nfs/dbraw/zinc/90/51/54/1216905154.db2.gz NNLPNWPUFYVMDH-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027017 1216905161 /nfs/dbraw/zinc/90/51/61/1216905161.db2.gz NNLPNWPUFYVMDH-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027017 1216905167 /nfs/dbraw/zinc/90/51/67/1216905167.db2.gz NNLPNWPUFYVMDH-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070040745 1216916351 /nfs/dbraw/zinc/91/63/51/1216916351.db2.gz DIBPBJDJCMLCJX-CABCVRRESA-N 2 2 363.441 0.999 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070040745 1216916352 /nfs/dbraw/zinc/91/63/52/1216916352.db2.gz DIBPBJDJCMLCJX-CABCVRRESA-N 2 2 363.441 0.999 20 0 FCADLP CCOC(=O)CCCC[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001276888759 1225704556 /nfs/dbraw/zinc/70/45/56/1225704556.db2.gz IZDLRAAPLXCGKK-UHFFFAOYSA-N 2 2 364.446 0.530 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC3CC3)CC2)O1 ZINC001223569487 1225716443 /nfs/dbraw/zinc/71/64/43/1225716443.db2.gz FFEFEPNPWCSHHK-RHSMWYFYSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC3CC3)CC2)O1 ZINC001223569487 1225716455 /nfs/dbraw/zinc/71/64/55/1225716455.db2.gz FFEFEPNPWCSHHK-RHSMWYFYSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21 ZINC001223683708 1225725971 /nfs/dbraw/zinc/72/59/71/1225725971.db2.gz IJQJHOFYOBXCJP-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21 ZINC001223683708 1225725979 /nfs/dbraw/zinc/72/59/79/1225725979.db2.gz IJQJHOFYOBXCJP-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@H]1O)CC2 ZINC001041308584 1217276716 /nfs/dbraw/zinc/27/67/16/1217276716.db2.gz URFYLOHUWCDGRY-USXIJHARSA-N 2 2 370.457 0.527 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)nc(C)[nH+]1 ZINC001041443476 1217336396 /nfs/dbraw/zinc/33/63/96/1217336396.db2.gz JMRCILOCCQFBKP-IAGOWNOFSA-N 2 2 366.425 0.975 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916463 1225746524 /nfs/dbraw/zinc/74/65/24/1225746524.db2.gz JNMDHKRGWMWRGE-WBVHZDCISA-N 2 2 364.494 0.299 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916463 1225746527 /nfs/dbraw/zinc/74/65/27/1225746527.db2.gz JNMDHKRGWMWRGE-WBVHZDCISA-N 2 2 364.494 0.299 20 0 FCADLP CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001043017112 1217556893 /nfs/dbraw/zinc/55/68/93/1217556893.db2.gz ABSWDGBEGCUAIX-DTZQCDIJSA-N 2 2 363.462 0.132 20 0 FCADLP CO[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001043017112 1217556900 /nfs/dbraw/zinc/55/69/00/1217556900.db2.gz ABSWDGBEGCUAIX-DTZQCDIJSA-N 2 2 363.462 0.132 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043679021 1217702696 /nfs/dbraw/zinc/70/26/96/1217702696.db2.gz XIGSWHAZRRTHCP-IXDOHACOSA-N 2 2 359.474 0.912 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043679021 1217702702 /nfs/dbraw/zinc/70/27/02/1217702702.db2.gz XIGSWHAZRRTHCP-IXDOHACOSA-N 2 2 359.474 0.912 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043726738 1217719174 /nfs/dbraw/zinc/71/91/74/1217719174.db2.gz GOQROCWYQSPZCE-BHYGNILZSA-N 2 2 359.474 0.715 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043726738 1217719179 /nfs/dbraw/zinc/71/91/79/1217719179.db2.gz GOQROCWYQSPZCE-BHYGNILZSA-N 2 2 359.474 0.715 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001043914874 1217772185 /nfs/dbraw/zinc/77/21/85/1217772185.db2.gz IDDWOWFLLMJXKM-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001044065682 1217800802 /nfs/dbraw/zinc/80/08/02/1217800802.db2.gz QBUUMHCREVCZMX-SJORKVTESA-N 2 2 371.485 0.425 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044192209 1217815367 /nfs/dbraw/zinc/81/53/67/1217815367.db2.gz VTLRONPDLPSEPV-ZACQAIPSSA-N 2 2 361.490 0.940 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044192209 1217815370 /nfs/dbraw/zinc/81/53/70/1217815370.db2.gz VTLRONPDLPSEPV-ZACQAIPSSA-N 2 2 361.490 0.940 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044206907 1217818084 /nfs/dbraw/zinc/81/80/84/1217818084.db2.gz FSVGBTGSJURYFV-XHSDSOJGSA-N 2 2 359.474 0.355 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001224306956 1225772263 /nfs/dbraw/zinc/77/22/63/1225772263.db2.gz QPDJJPIVWKQRAV-OIISXLGYSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001224306956 1225772266 /nfs/dbraw/zinc/77/22/66/1225772266.db2.gz QPDJJPIVWKQRAV-OIISXLGYSA-N 2 2 359.474 0.721 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044547971 1217854226 /nfs/dbraw/zinc/85/42/26/1217854226.db2.gz SEXFZWZZKVUKDV-IMJJTQAJSA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044547971 1217854227 /nfs/dbraw/zinc/85/42/27/1217854227.db2.gz SEXFZWZZKVUKDV-IMJJTQAJSA-N 2 2 361.490 0.916 20 0 FCADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](CCN2CCNC2=O)CC1 ZINC001045466996 1217931746 /nfs/dbraw/zinc/93/17/46/1217931746.db2.gz DJRWDADBLUEIHL-ZIAGYGMSSA-N 2 2 360.462 0.509 20 0 FCADLP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001045479203 1217932310 /nfs/dbraw/zinc/93/23/10/1217932310.db2.gz WRNMWZPXXXRMCP-NVXWUHKLSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1C ZINC001045479203 1217932313 /nfs/dbraw/zinc/93/23/13/1217932313.db2.gz WRNMWZPXXXRMCP-NVXWUHKLSA-N 2 2 363.506 0.918 20 0 FCADLP COc1cc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001045479148 1217932522 /nfs/dbraw/zinc/93/25/22/1217932522.db2.gz UIMSATKWNZTCIQ-UKRRQHHQSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001045479148 1217932527 /nfs/dbraw/zinc/93/25/27/1217932527.db2.gz UIMSATKWNZTCIQ-UKRRQHHQSA-N 2 2 366.462 0.873 20 0 FCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056931 1217958117 /nfs/dbraw/zinc/95/81/17/1217958117.db2.gz AOORJTQYNYWLDO-YLJYHZDGSA-N 2 2 374.485 0.661 20 0 FCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056931 1217958122 /nfs/dbraw/zinc/95/81/22/1217958122.db2.gz AOORJTQYNYWLDO-YLJYHZDGSA-N 2 2 374.485 0.661 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCN2CC[NH+](CC)CC2)C1 ZINC000900193105 1217969951 /nfs/dbraw/zinc/96/99/51/1217969951.db2.gz ZRULFUSDSBBKKG-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCN2CC[NH+](CC)CC2)C1 ZINC000900193105 1217969955 /nfs/dbraw/zinc/96/99/55/1217969955.db2.gz ZRULFUSDSBBKKG-QGZVFWFLSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199084 1217970117 /nfs/dbraw/zinc/97/01/17/1217970117.db2.gz OYMYDGXABVOLIO-KPFFTGBYSA-N 2 2 360.502 0.768 20 0 FCADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199084 1217970120 /nfs/dbraw/zinc/97/01/20/1217970120.db2.gz OYMYDGXABVOLIO-KPFFTGBYSA-N 2 2 360.502 0.768 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000900225711 1217972801 /nfs/dbraw/zinc/97/28/01/1217972801.db2.gz SZVAMLFZEKYPKA-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP C[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000900693456 1218025323 /nfs/dbraw/zinc/02/53/23/1218025323.db2.gz SQRZCAGQKBRPEB-LMDPOFIKSA-N 2 2 366.550 0.877 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420738 1218034408 /nfs/dbraw/zinc/03/44/08/1218034408.db2.gz JMCOOGXIJCKIMP-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420738 1218034413 /nfs/dbraw/zinc/03/44/13/1218034413.db2.gz JMCOOGXIJCKIMP-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420738 1218034419 /nfs/dbraw/zinc/03/44/19/1218034419.db2.gz JMCOOGXIJCKIMP-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420738 1218034426 /nfs/dbraw/zinc/03/44/26/1218034426.db2.gz JMCOOGXIJCKIMP-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096248984 1218184986 /nfs/dbraw/zinc/18/49/86/1218184986.db2.gz FLZLPRXNZLQNPQ-PMPSAXMXSA-N 2 2 354.414 0.348 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096248984 1218184990 /nfs/dbraw/zinc/18/49/90/1218184990.db2.gz FLZLPRXNZLQNPQ-PMPSAXMXSA-N 2 2 354.414 0.348 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH+]2CCN(c3cccc(F)n3)CC2)O1 ZINC001096305860 1218230760 /nfs/dbraw/zinc/23/07/60/1218230760.db2.gz QFVQZMFVAFLVTB-HUUCEWRRSA-N 2 2 365.453 0.178 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH+]2CCN(c3cccc(F)n3)CC2)O1 ZINC001096305860 1218230764 /nfs/dbraw/zinc/23/07/64/1218230764.db2.gz QFVQZMFVAFLVTB-HUUCEWRRSA-N 2 2 365.453 0.178 20 0 FCADLP Cc1cc(C)nc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001096305541 1218231005 /nfs/dbraw/zinc/23/10/05/1218231005.db2.gz BYULCNMBTRJZPC-IAGOWNOFSA-N 2 2 360.506 0.672 20 0 FCADLP Cc1cc(C)nc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001096305541 1218231009 /nfs/dbraw/zinc/23/10/09/1218231009.db2.gz BYULCNMBTRJZPC-IAGOWNOFSA-N 2 2 360.506 0.672 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)n1 ZINC001096350162 1218258766 /nfs/dbraw/zinc/25/87/66/1218258766.db2.gz XFSJLPAKOZBHCX-PVAVHDDUSA-N 2 2 357.462 0.593 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH+]cn2C)C3)n1 ZINC001096350162 1218258769 /nfs/dbraw/zinc/25/87/69/1218258769.db2.gz XFSJLPAKOZBHCX-PVAVHDDUSA-N 2 2 357.462 0.593 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001277041072 1225810168 /nfs/dbraw/zinc/81/01/68/1225810168.db2.gz DGPCUWCEPJIFOQ-LJQANCHMSA-N 3 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001277041072 1225810172 /nfs/dbraw/zinc/81/01/72/1225810172.db2.gz DGPCUWCEPJIFOQ-LJQANCHMSA-N 3 2 357.458 0.699 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048825728 1218321595 /nfs/dbraw/zinc/32/15/95/1218321595.db2.gz FILBQIZKCUTQNW-OVYGPGRDSA-N 2 2 371.485 0.418 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048825728 1218321603 /nfs/dbraw/zinc/32/16/03/1218321603.db2.gz FILBQIZKCUTQNW-OVYGPGRDSA-N 2 2 371.485 0.418 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048827047 1218322144 /nfs/dbraw/zinc/32/21/44/1218322144.db2.gz UFDOPSMVBXWUDJ-LVQVYYBASA-N 2 2 357.458 0.029 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048827047 1218322150 /nfs/dbraw/zinc/32/21/50/1218322150.db2.gz UFDOPSMVBXWUDJ-LVQVYYBASA-N 2 2 357.458 0.029 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048872637 1218330312 /nfs/dbraw/zinc/33/03/12/1218330312.db2.gz AQCCAURSSDJJCZ-YALNPMBYSA-N 2 2 354.458 0.880 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048872637 1218330321 /nfs/dbraw/zinc/33/03/21/1218330321.db2.gz AQCCAURSSDJJCZ-YALNPMBYSA-N 2 2 354.458 0.880 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048872637 1218330327 /nfs/dbraw/zinc/33/03/27/1218330327.db2.gz AQCCAURSSDJJCZ-YALNPMBYSA-N 2 2 354.458 0.880 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048872637 1218330329 /nfs/dbraw/zinc/33/03/29/1218330329.db2.gz AQCCAURSSDJJCZ-YALNPMBYSA-N 2 2 354.458 0.880 20 0 FCADLP Cc1noc([C@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888117 1218335180 /nfs/dbraw/zinc/33/51/80/1218335180.db2.gz ICBOLWHKVKODDL-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1noc([C@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888117 1218335185 /nfs/dbraw/zinc/33/51/85/1218335185.db2.gz ICBOLWHKVKODDL-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1noc([C@H](C)[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888117 1218335191 /nfs/dbraw/zinc/33/51/91/1218335191.db2.gz ICBOLWHKVKODDL-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1noc([C@H](C)[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888117 1218335196 /nfs/dbraw/zinc/33/51/96/1218335196.db2.gz ICBOLWHKVKODDL-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049068438 1218374479 /nfs/dbraw/zinc/37/44/79/1218374479.db2.gz SKSHSRVAIQKMQR-YIDVYQOGSA-N 2 2 357.458 0.192 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049068438 1218374485 /nfs/dbraw/zinc/37/44/85/1218374485.db2.gz SKSHSRVAIQKMQR-YIDVYQOGSA-N 2 2 357.458 0.192 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049068463 1218374594 /nfs/dbraw/zinc/37/45/94/1218374594.db2.gz TVUFATHLZLTVHA-ZHCJQAHYSA-N 2 2 371.485 0.535 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049068463 1218374597 /nfs/dbraw/zinc/37/45/97/1218374597.db2.gz TVUFATHLZLTVHA-ZHCJQAHYSA-N 2 2 371.485 0.535 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@H]2C1 ZINC001049068462 1218375134 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/nfs/dbraw/zinc/43/08/23/1218430823.db2.gz XRIRRGMMFCCEGR-YTQUADARSA-N 2 2 363.550 0.440 20 0 FCADLP CCN1CCN(C(=O)[C@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903508863 1218430828 /nfs/dbraw/zinc/43/08/28/1218430828.db2.gz XRIRRGMMFCCEGR-YTQUADARSA-N 2 2 363.550 0.440 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001096548569 1218476714 /nfs/dbraw/zinc/47/67/14/1218476714.db2.gz IYKJATIUHGEILR-LTIDMASMSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001096548569 1218476719 /nfs/dbraw/zinc/47/67/19/1218476719.db2.gz IYKJATIUHGEILR-LTIDMASMSA-N 2 2 359.474 0.922 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCn1cncn1 ZINC001049735333 1218539916 /nfs/dbraw/zinc/53/99/16/1218539916.db2.gz HWAZCWQPLYORIZ-WCXIOVBPSA-N 2 2 369.473 0.881 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC001049735333 1218539922 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SUDUCXWECCALER-XFKAJCMBSA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@H+](C)CC2 ZINC001054920203 1218967615 /nfs/dbraw/zinc/96/76/15/1218967615.db2.gz SUDUCXWECCALER-XFKAJCMBSA-N 2 2 370.501 0.785 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@@H+](C)CC2 ZINC001054920203 1218967625 /nfs/dbraw/zinc/96/76/25/1218967625.db2.gz SUDUCXWECCALER-XFKAJCMBSA-N 2 2 370.501 0.785 20 0 FCADLP CC(C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001055524524 1219067051 /nfs/dbraw/zinc/06/70/51/1219067051.db2.gz PLXHZHOGCMVNTA-HZPDHXFCSA-N 2 2 361.490 0.876 20 0 FCADLP CC(C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055593976 1219093357 /nfs/dbraw/zinc/09/33/57/1219093357.db2.gz DMIDUPXXGZOJFT-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055593976 1219093360 /nfs/dbraw/zinc/09/33/60/1219093360.db2.gz DMIDUPXXGZOJFT-NVXWUHKLSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)=CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055595136 1219093506 /nfs/dbraw/zinc/09/35/06/1219093506.db2.gz PAIXGUPKZONLKQ-NVXWUHKLSA-N 2 2 366.506 0.369 20 0 FCADLP CC(C)=CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055595136 1219093511 /nfs/dbraw/zinc/09/35/11/1219093511.db2.gz PAIXGUPKZONLKQ-NVXWUHKLSA-N 2 2 366.506 0.369 20 0 FCADLP Nc1cccc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c1 ZINC001277192186 1225867722 /nfs/dbraw/zinc/86/77/22/1225867722.db2.gz UVZGDODPJWEVQE-IBGZPJMESA-N 2 2 355.442 0.969 20 0 FCADLP Nc1cccc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c1 ZINC001277192186 1225867725 /nfs/dbraw/zinc/86/77/25/1225867725.db2.gz UVZGDODPJWEVQE-IBGZPJMESA-N 2 2 355.442 0.969 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000804063063 1219117643 /nfs/dbraw/zinc/11/76/43/1219117643.db2.gz OYDZZFFWXHTOQS-BZUAXINKSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000804063063 1219117647 /nfs/dbraw/zinc/11/76/47/1219117647.db2.gz OYDZZFFWXHTOQS-BZUAXINKSA-N 2 2 361.446 0.026 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070075738 1219143324 /nfs/dbraw/zinc/14/33/24/1219143324.db2.gz CIESIMRKYUZBGX-MSOLQXFVSA-N 2 2 365.441 0.796 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070075738 1219143329 /nfs/dbraw/zinc/14/33/29/1219143329.db2.gz CIESIMRKYUZBGX-MSOLQXFVSA-N 2 2 365.441 0.796 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096371 1219167814 /nfs/dbraw/zinc/16/78/14/1219167814.db2.gz WAHWHQZOUCPMKY-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096371 1219167816 /nfs/dbraw/zinc/16/78/16/1219167816.db2.gz WAHWHQZOUCPMKY-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096371 1219167820 /nfs/dbraw/zinc/16/78/20/1219167820.db2.gz WAHWHQZOUCPMKY-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096371 1219167823 /nfs/dbraw/zinc/16/78/23/1219167823.db2.gz WAHWHQZOUCPMKY-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098899 1219172068 /nfs/dbraw/zinc/17/20/68/1219172068.db2.gz YJMWOSSVTLRXDP-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098899 1219172071 /nfs/dbraw/zinc/17/20/71/1219172071.db2.gz YJMWOSSVTLRXDP-MSOLQXFVSA-N 2 2 369.473 0.619 20 0 FCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001227646710 1225880712 /nfs/dbraw/zinc/88/07/12/1225880712.db2.gz GVGZFCARDOBZHG-TVFCKZIOSA-N 2 2 369.506 0.530 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220059 1219301914 /nfs/dbraw/zinc/30/19/14/1219301914.db2.gz ZRMFQQWRNQGEMP-NXHRZFHOSA-N 2 2 369.473 0.879 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001070220744 1219302379 /nfs/dbraw/zinc/30/23/79/1219302379.db2.gz PLZHFRTYXRYSIH-OAGGEKHMSA-N 2 2 357.462 0.735 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220504 1219302770 /nfs/dbraw/zinc/30/27/70/1219302770.db2.gz IWLDUTIBCVKPEQ-ZACQAIPSSA-N 2 2 369.473 0.879 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070311195 1219368906 /nfs/dbraw/zinc/36/89/06/1219368906.db2.gz RFYBDQNFRDHBKF-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334508 1219383858 /nfs/dbraw/zinc/38/38/58/1219383858.db2.gz CLHIMVJHIUESRG-FGTMMUONSA-N 2 2 371.489 0.974 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070337135 1219385497 /nfs/dbraw/zinc/38/54/97/1219385497.db2.gz OKXUHAWSJITXHC-CVEARBPZSA-N 2 2 352.402 0.112 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001070353296 1219389103 /nfs/dbraw/zinc/38/91/03/1219389103.db2.gz IFRPSBMOHRTFRE-KKUMJFAQSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001070353296 1219389108 /nfs/dbraw/zinc/38/91/08/1219389108.db2.gz IFRPSBMOHRTFRE-KKUMJFAQSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001070353296 1219389114 /nfs/dbraw/zinc/38/91/14/1219389114.db2.gz IFRPSBMOHRTFRE-KKUMJFAQSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001070353296 1219389120 /nfs/dbraw/zinc/38/91/20/1219389120.db2.gz IFRPSBMOHRTFRE-KKUMJFAQSA-N 2 2 362.478 0.387 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001070505970 1219443687 /nfs/dbraw/zinc/44/36/87/1219443687.db2.gz RLLPCCAZNIQTFH-USXIJHARSA-N 2 2 371.489 0.635 20 0 FCADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070540657 1219459805 /nfs/dbraw/zinc/45/98/05/1219459805.db2.gz CBYSVNOIHCSNGV-DOTOQJQBSA-N 2 2 369.429 0.767 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC)C1 ZINC001070671387 1219518118 /nfs/dbraw/zinc/51/81/18/1219518118.db2.gz LOTSOCZCIYFVPV-NUJGCVRESA-N 2 2 363.506 0.825 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC)C1 ZINC001070671387 1219518121 /nfs/dbraw/zinc/51/81/21/1219518121.db2.gz LOTSOCZCIYFVPV-NUJGCVRESA-N 2 2 363.506 0.825 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070719332 1219541445 /nfs/dbraw/zinc/54/14/45/1219541445.db2.gz ZWMNLFKVMRBTCP-ARFHVFGLSA-N 2 2 369.473 0.246 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070719332 1219541450 /nfs/dbraw/zinc/54/14/50/1219541450.db2.gz ZWMNLFKVMRBTCP-ARFHVFGLSA-N 2 2 369.473 0.246 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccon1 ZINC001070718982 1219541814 /nfs/dbraw/zinc/54/18/14/1219541814.db2.gz NMEZLANWFADBAG-HZPDHXFCSA-N 2 2 358.446 0.588 20 0 FCADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070723322 1219543435 /nfs/dbraw/zinc/54/34/35/1219543435.db2.gz DQYSNKYGOAPTHY-HZPDHXFCSA-N 2 2 369.429 0.697 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001070723895 1219543938 /nfs/dbraw/zinc/54/39/38/1219543938.db2.gz WWBPRGBULPYBIM-ARFHVFGLSA-N 2 2 358.446 0.237 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cc4ccccn4n3)C2)OCC1=O ZINC001277279742 1225900854 /nfs/dbraw/zinc/90/08/54/1225900854.db2.gz LUSSMAOGCDXUOF-IBGZPJMESA-N 2 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc4ccccn4n3)C2)OCC1=O ZINC001277279742 1225900862 /nfs/dbraw/zinc/90/08/62/1225900862.db2.gz LUSSMAOGCDXUOF-IBGZPJMESA-N 2 2 357.458 0.699 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916813 1219572103 /nfs/dbraw/zinc/57/21/03/1219572103.db2.gz YHDSOUVERFJRKN-OAGGEKHMSA-N 2 2 361.446 0.788 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916813 1219572105 /nfs/dbraw/zinc/57/21/05/1219572105.db2.gz YHDSOUVERFJRKN-OAGGEKHMSA-N 2 2 361.446 0.788 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071066402 1219598792 /nfs/dbraw/zinc/59/87/92/1219598792.db2.gz LHLZTCJSOZIABX-NUJGCVRESA-N 2 2 362.474 0.424 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001071100846 1219607416 /nfs/dbraw/zinc/60/74/16/1219607416.db2.gz DDRLROHVYINCQH-BJZITVGISA-N 2 2 364.490 0.719 20 0 FCADLP CC(C)[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268059 1219612037 /nfs/dbraw/zinc/61/20/37/1219612037.db2.gz WENBAYKJRNLYGS-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268059 1219612038 /nfs/dbraw/zinc/61/20/38/1219612038.db2.gz WENBAYKJRNLYGS-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268059 1219612041 /nfs/dbraw/zinc/61/20/41/1219612041.db2.gz WENBAYKJRNLYGS-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C(=O)C1 ZINC001071268059 1219612044 /nfs/dbraw/zinc/61/20/44/1219612044.db2.gz WENBAYKJRNLYGS-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001072746393 1219620870 /nfs/dbraw/zinc/62/08/70/1219620870.db2.gz LLCHSOBUCVNOON-BZUAXINKSA-N 2 2 371.485 0.562 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001072746393 1219620873 /nfs/dbraw/zinc/62/08/73/1219620873.db2.gz LLCHSOBUCVNOON-BZUAXINKSA-N 2 2 371.485 0.562 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)n1 ZINC001098221447 1219742780 /nfs/dbraw/zinc/74/27/80/1219742780.db2.gz XFSJLPAKOZBHCX-OIISXLGYSA-N 2 2 357.462 0.593 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)n1 ZINC001098221447 1219742782 /nfs/dbraw/zinc/74/27/82/1219742782.db2.gz XFSJLPAKOZBHCX-OIISXLGYSA-N 2 2 357.462 0.593 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001098405895 1219775174 /nfs/dbraw/zinc/77/51/74/1219775174.db2.gz VZOGPLBXCROQAD-ZACQAIPSSA-N 2 2 359.474 0.972 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001098405895 1219775178 /nfs/dbraw/zinc/77/51/78/1219775178.db2.gz VZOGPLBXCROQAD-ZACQAIPSSA-N 2 2 359.474 0.972 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773808 1219823994 /nfs/dbraw/zinc/82/39/94/1219823994.db2.gz OUXJMBRYAORZOH-LNLFQRSKSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773808 1219823996 /nfs/dbraw/zinc/82/39/96/1219823996.db2.gz OUXJMBRYAORZOH-LNLFQRSKSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001098773808 1219823999 /nfs/dbraw/zinc/82/39/99/1219823999.db2.gz OUXJMBRYAORZOH-LNLFQRSKSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001098773808 1219824001 /nfs/dbraw/zinc/82/40/01/1219824001.db2.gz OUXJMBRYAORZOH-LNLFQRSKSA-N 2 2 361.490 0.264 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098945529 1219870810 /nfs/dbraw/zinc/87/08/10/1219870810.db2.gz BJFKMETVWFFGKF-NJSLBKSFSA-N 2 2 359.474 0.606 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098945529 1219870813 /nfs/dbraw/zinc/87/08/13/1219870813.db2.gz BJFKMETVWFFGKF-NJSLBKSFSA-N 2 2 359.474 0.606 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465458 1219899376 /nfs/dbraw/zinc/89/93/76/1219899376.db2.gz WGGSFRCAJVUQIE-TUVASFSCSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465458 1219899377 /nfs/dbraw/zinc/89/93/77/1219899377.db2.gz WGGSFRCAJVUQIE-TUVASFSCSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465458 1219899378 /nfs/dbraw/zinc/89/93/78/1219899378.db2.gz WGGSFRCAJVUQIE-TUVASFSCSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465458 1219899379 /nfs/dbraw/zinc/89/93/79/1219899379.db2.gz WGGSFRCAJVUQIE-TUVASFSCSA-N 2 2 367.494 0.282 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001099137706 1219925581 /nfs/dbraw/zinc/92/55/81/1219925581.db2.gz AEMSJLNEDBWBAO-GMBSWORKSA-N 2 2 359.474 0.852 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001099137706 1219925586 /nfs/dbraw/zinc/92/55/86/1219925586.db2.gz AEMSJLNEDBWBAO-GMBSWORKSA-N 2 2 359.474 0.852 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccnn2C)C3)C1 ZINC001099172246 1219939101 /nfs/dbraw/zinc/93/91/01/1219939101.db2.gz SGWJZVMOAZLUAN-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccnn2C)C3)C1 ZINC001099172246 1219939108 /nfs/dbraw/zinc/93/91/08/1219939108.db2.gz SGWJZVMOAZLUAN-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccnn2C)C3)C1 ZINC001099172246 1219939112 /nfs/dbraw/zinc/93/91/12/1219939112.db2.gz SGWJZVMOAZLUAN-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccnn2C)C3)C1 ZINC001099172246 1219939115 /nfs/dbraw/zinc/93/91/15/1219939115.db2.gz SGWJZVMOAZLUAN-WDYCEAGBSA-N 2 2 361.490 0.612 20 0 FCADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529881 1225931543 /nfs/dbraw/zinc/93/15/43/1225931543.db2.gz XZGVWGHQUPJCQJ-QJPTWQEYSA-N 2 2 362.434 0.042 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099261017 1219958753 /nfs/dbraw/zinc/95/87/53/1219958753.db2.gz GLNVJRDEPOORNK-CHWSQXEVSA-N 2 2 371.367 0.613 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001099279535 1219960629 /nfs/dbraw/zinc/96/06/29/1219960629.db2.gz JLDKRZIREYJPAG-CHWSQXEVSA-N 2 2 371.367 0.499 20 0 FCADLP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C(F)(F)F)cn1 ZINC001099324768 1219967471 /nfs/dbraw/zinc/96/74/71/1219967471.db2.gz BPVZWALDWMEIJU-CHWSQXEVSA-N 2 2 370.379 0.907 20 0 FCADLP Cn1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)n1 ZINC001099402409 1219983012 /nfs/dbraw/zinc/98/30/12/1219983012.db2.gz BJJYVATZUGTAJI-WDYCEAGBSA-N 2 2 361.490 0.469 20 0 FCADLP Cn1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001099402409 1219983019 /nfs/dbraw/zinc/98/30/19/1219983019.db2.gz BJJYVATZUGTAJI-WDYCEAGBSA-N 2 2 361.490 0.469 20 0 FCADLP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001099425106 1219991054 /nfs/dbraw/zinc/99/10/54/1219991054.db2.gz CCAQHBOOGQTDMC-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001099535349 1220026277 /nfs/dbraw/zinc/02/62/77/1220026277.db2.gz NDTOOCJXRSQPQB-YOEHRIQHSA-N 2 2 358.450 0.134 20 0 FCADLP CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)C1=O ZINC001099541061 1220027996 /nfs/dbraw/zinc/02/79/96/1220027996.db2.gz KZNDFFJQYKJORF-BXWFABGCSA-N 2 2 359.474 0.722 20 0 FCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228800301 1225951419 /nfs/dbraw/zinc/95/14/19/1225951419.db2.gz IFRNGXSHUQHOLI-ZIAGYGMSSA-N 2 2 364.450 0.205 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)NC[C@H]1CCCO1 ZINC001228801335 1225952042 /nfs/dbraw/zinc/95/20/42/1225952042.db2.gz XRPLOAOPMNBHHX-BZUAXINKSA-N 2 2 363.462 0.264 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001101277630 1220263288 /nfs/dbraw/zinc/26/32/88/1220263288.db2.gz PZPIIYCZOJGMHY-MDZRGWNJSA-N 2 2 364.490 0.714 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@]2(C)C1 ZINC001101277630 1220263290 /nfs/dbraw/zinc/26/32/90/1220263290.db2.gz PZPIIYCZOJGMHY-MDZRGWNJSA-N 2 2 364.490 0.714 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101281269 1220266119 /nfs/dbraw/zinc/26/61/19/1220266119.db2.gz KLTHTJNIUQWEGG-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101281269 1220266123 /nfs/dbraw/zinc/26/61/23/1220266123.db2.gz KLTHTJNIUQWEGG-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101283223 1220266711 /nfs/dbraw/zinc/26/67/11/1220266711.db2.gz XVPQVBWJSPWJOG-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101283223 1220266715 /nfs/dbraw/zinc/26/67/15/1220266715.db2.gz XVPQVBWJSPWJOG-MDZRGWNJSA-N 2 2 362.474 0.235 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)no1 ZINC001101285994 1220267651 /nfs/dbraw/zinc/26/76/51/1220267651.db2.gz DVMIEYIWKOHULQ-KDOFPFPSSA-N 2 2 366.462 0.139 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)no1 ZINC001101285994 1220267652 /nfs/dbraw/zinc/26/76/52/1220267652.db2.gz DVMIEYIWKOHULQ-KDOFPFPSSA-N 2 2 366.462 0.139 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101316994 1220284413 /nfs/dbraw/zinc/28/44/13/1220284413.db2.gz BBHWAWKVHBFFKT-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101316994 1220284417 /nfs/dbraw/zinc/28/44/17/1220284417.db2.gz BBHWAWKVHBFFKT-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317222 1220285187 /nfs/dbraw/zinc/28/51/87/1220285187.db2.gz OSBGHNIIZXSVAN-APWZRJJASA-N 2 2 361.490 0.826 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317222 1220285194 /nfs/dbraw/zinc/28/51/94/1220285194.db2.gz OSBGHNIIZXSVAN-APWZRJJASA-N 2 2 361.490 0.826 20 0 FCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101351100 1220297189 /nfs/dbraw/zinc/29/71/89/1220297189.db2.gz SQVSLNJLFZQHCU-KDOFPFPSSA-N 2 2 365.478 0.491 20 0 FCADLP COCCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101351100 1220297192 /nfs/dbraw/zinc/29/71/92/1220297192.db2.gz SQVSLNJLFZQHCU-KDOFPFPSSA-N 2 2 365.478 0.491 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)no1 ZINC001101351336 1220298190 /nfs/dbraw/zinc/29/81/90/1220298190.db2.gz DNIHNFSGAMWCSE-KDOFPFPSSA-N 2 2 363.462 0.654 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)no1 ZINC001101351336 1220298192 /nfs/dbraw/zinc/29/81/92/1220298192.db2.gz DNIHNFSGAMWCSE-KDOFPFPSSA-N 2 2 363.462 0.654 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363490 1220302618 /nfs/dbraw/zinc/30/26/18/1220302618.db2.gz WDZFMWJYYNWMIJ-VKJFTORMSA-N 2 2 363.510 0.611 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363490 1220302622 /nfs/dbraw/zinc/30/26/22/1220302622.db2.gz WDZFMWJYYNWMIJ-VKJFTORMSA-N 2 2 363.510 0.611 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101429864 1220340232 /nfs/dbraw/zinc/34/02/32/1220340232.db2.gz CXPXPQDCRZZKBS-BEFAXECRSA-N 2 2 361.490 0.515 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101429864 1220340235 /nfs/dbraw/zinc/34/02/35/1220340235.db2.gz CXPXPQDCRZZKBS-BEFAXECRSA-N 2 2 361.490 0.515 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448620 1220351511 /nfs/dbraw/zinc/35/15/11/1220351511.db2.gz DVBHFJPRJDSOJZ-APWZRJJASA-N 2 2 364.490 0.796 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448620 1220351518 /nfs/dbraw/zinc/35/15/18/1220351518.db2.gz DVBHFJPRJDSOJZ-APWZRJJASA-N 2 2 364.490 0.796 20 0 FCADLP C[C@]12CN(C(=O)CCCn3cc[nH+]c3)C[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001101486913 1220369920 /nfs/dbraw/zinc/36/99/20/1220369920.db2.gz FGAYLWCWKHTJDI-MDZRGWNJSA-N 2 2 359.474 0.722 20 0 FCADLP C[C@]12CN(C(=O)CCCn3cc[nH+]c3)C[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001101486913 1220369923 /nfs/dbraw/zinc/36/99/23/1220369923.db2.gz FGAYLWCWKHTJDI-MDZRGWNJSA-N 2 2 359.474 0.722 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487984 1220371786 /nfs/dbraw/zinc/37/17/86/1220371786.db2.gz FNUXDWJCARHANR-BEFAXECRSA-N 2 2 361.490 0.968 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487984 1220371791 /nfs/dbraw/zinc/37/17/91/1220371791.db2.gz FNUXDWJCARHANR-BEFAXECRSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101843912 1220414425 /nfs/dbraw/zinc/41/44/25/1220414425.db2.gz CIMOXFCILBGECR-BZUAXINKSA-N 2 2 368.522 0.163 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001101843912 1220414427 /nfs/dbraw/zinc/41/44/27/1220414427.db2.gz CIMOXFCILBGECR-BZUAXINKSA-N 2 2 368.522 0.163 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001101843912 1220414429 /nfs/dbraw/zinc/41/44/29/1220414429.db2.gz CIMOXFCILBGECR-BZUAXINKSA-N 2 2 368.522 0.163 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001101843912 1220414432 /nfs/dbraw/zinc/41/44/32/1220414432.db2.gz CIMOXFCILBGECR-BZUAXINKSA-N 2 2 368.522 0.163 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC001101926631 1220434848 /nfs/dbraw/zinc/43/48/48/1220434848.db2.gz ICQGECOWGVXMKB-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC001101926631 1220434853 /nfs/dbraw/zinc/43/48/53/1220434853.db2.gz ICQGECOWGVXMKB-CZUORRHYSA-N 2 2 359.478 0.935 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927334 1220434905 /nfs/dbraw/zinc/43/49/05/1220434905.db2.gz AGDZDGQYTIZCER-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927334 1220434907 /nfs/dbraw/zinc/43/49/07/1220434907.db2.gz AGDZDGQYTIZCER-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926800 1220435129 /nfs/dbraw/zinc/43/51/29/1220435129.db2.gz PQTHMSXFILIOTO-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926800 1220435132 /nfs/dbraw/zinc/43/51/32/1220435132.db2.gz PQTHMSXFILIOTO-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1 ZINC001102047555 1220477254 /nfs/dbraw/zinc/47/72/54/1220477254.db2.gz LAPIXWMTQNJELS-SUYBPPKGSA-N 2 2 365.478 0.740 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](C)C2)n1 ZINC001102047555 1220477258 /nfs/dbraw/zinc/47/72/58/1220477258.db2.gz LAPIXWMTQNJELS-SUYBPPKGSA-N 2 2 365.478 0.740 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001102083811 1220490449 /nfs/dbraw/zinc/49/04/49/1220490449.db2.gz SORFISGLQFCLIQ-BMFZPTHFSA-N 2 2 361.490 0.841 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001102083811 1220490452 /nfs/dbraw/zinc/49/04/52/1220490452.db2.gz SORFISGLQFCLIQ-BMFZPTHFSA-N 2 2 361.490 0.841 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1C)[NH+](C)C ZINC001102087272 1220492120 /nfs/dbraw/zinc/49/21/20/1220492120.db2.gz RUKCAOILWUGTNO-RBSFLKMASA-N 2 2 364.494 0.333 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1C)[NH+](C)C ZINC001102087272 1220492123 /nfs/dbraw/zinc/49/21/23/1220492123.db2.gz RUKCAOILWUGTNO-RBSFLKMASA-N 2 2 364.494 0.333 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104250 1220497032 /nfs/dbraw/zinc/49/70/32/1220497032.db2.gz MPBNDALRXMUPQB-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104250 1220497040 /nfs/dbraw/zinc/49/70/40/1220497040.db2.gz MPBNDALRXMUPQB-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105277 1220498006 /nfs/dbraw/zinc/49/80/06/1220498006.db2.gz LWKSESJCQNVOED-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105277 1220498008 /nfs/dbraw/zinc/49/80/08/1220498008.db2.gz LWKSESJCQNVOED-BRWVUGGUSA-N 2 2 364.490 0.793 20 0 FCADLP C[C@H](c1nncn1C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468529 1220638138 /nfs/dbraw/zinc/63/81/38/1220638138.db2.gz NBCLPCOCKWKXRC-BZUAXINKSA-N 2 2 364.494 0.283 20 0 FCADLP C[C@H](c1nncn1C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468529 1220638142 /nfs/dbraw/zinc/63/81/42/1220638142.db2.gz NBCLPCOCKWKXRC-BZUAXINKSA-N 2 2 364.494 0.283 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482955 1220648543 /nfs/dbraw/zinc/64/85/43/1220648543.db2.gz QBHVQXXHTZJTGN-IIAWOOMASA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482955 1220648546 /nfs/dbraw/zinc/64/85/46/1220648546.db2.gz QBHVQXXHTZJTGN-IIAWOOMASA-N 2 2 359.474 0.790 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141811 1225982873 /nfs/dbraw/zinc/98/28/73/1225982873.db2.gz LRUMSOGTKJTMEF-HZPDHXFCSA-N 2 2 364.494 0.537 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1)c1nncn1C ZINC001229141906 1225983237 /nfs/dbraw/zinc/98/32/37/1225983237.db2.gz MEHMOMSZGGNOQG-BZUAXINKSA-N 2 2 364.494 0.615 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513482 1220672199 /nfs/dbraw/zinc/67/21/99/1220672199.db2.gz MJAUHHZVIPNVHW-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513482 1220672203 /nfs/dbraw/zinc/67/22/03/1220672203.db2.gz MJAUHHZVIPNVHW-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531993 1220685180 /nfs/dbraw/zinc/68/51/80/1220685180.db2.gz OXKNBQNNUADLGF-UKRRQHHQSA-N 2 2 365.478 0.097 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531993 1220685182 /nfs/dbraw/zinc/68/51/82/1220685182.db2.gz OXKNBQNNUADLGF-UKRRQHHQSA-N 2 2 365.478 0.097 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001102603297 1220725023 /nfs/dbraw/zinc/72/50/23/1220725023.db2.gz YTLKYUVWLSYEOB-KYJSFNMBSA-N 2 2 361.490 0.457 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001102603297 1220725020 /nfs/dbraw/zinc/72/50/20/1220725020.db2.gz YTLKYUVWLSYEOB-KYJSFNMBSA-N 2 2 361.490 0.457 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102613794 1220733873 /nfs/dbraw/zinc/73/38/73/1220733873.db2.gz VRQZERCYDXOOTM-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102613794 1220733876 /nfs/dbraw/zinc/73/38/76/1220733876.db2.gz VRQZERCYDXOOTM-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136909 1220838765 /nfs/dbraw/zinc/83/87/65/1220838765.db2.gz SPERMFVGGMBSKD-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136909 1220838766 /nfs/dbraw/zinc/83/87/66/1220838766.db2.gz SPERMFVGGMBSKD-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[NH+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136909 1220838767 /nfs/dbraw/zinc/83/87/67/1220838767.db2.gz SPERMFVGGMBSKD-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[NH+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136909 1220838771 /nfs/dbraw/zinc/83/87/71/1220838771.db2.gz SPERMFVGGMBSKD-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001103136553 1220838778 /nfs/dbraw/zinc/83/87/78/1220838778.db2.gz IKFZBNOOJYVIGF-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001103136553 1220838779 /nfs/dbraw/zinc/83/87/79/1220838779.db2.gz IKFZBNOOJYVIGF-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001103136553 1220838781 /nfs/dbraw/zinc/83/87/81/1220838781.db2.gz IKFZBNOOJYVIGF-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001103136553 1220838783 /nfs/dbraw/zinc/83/87/83/1220838783.db2.gz IKFZBNOOJYVIGF-RRCSTGOVSA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136557 1220838896 /nfs/dbraw/zinc/83/88/96/1220838896.db2.gz IPOZPPOJXWXKRN-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136557 1220838897 /nfs/dbraw/zinc/83/88/97/1220838897.db2.gz IPOZPPOJXWXKRN-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136557 1220838898 /nfs/dbraw/zinc/83/88/98/1220838898.db2.gz IPOZPPOJXWXKRN-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136557 1220838900 /nfs/dbraw/zinc/83/89/00/1220838900.db2.gz IPOZPPOJXWXKRN-KLHDSHLOSA-N 2 2 364.494 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001103163007 1220842179 /nfs/dbraw/zinc/84/21/79/1220842179.db2.gz SVGWMHRYQRXAIX-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001103163007 1220842180 /nfs/dbraw/zinc/84/21/80/1220842180.db2.gz SVGWMHRYQRXAIX-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103162574 1220842452 /nfs/dbraw/zinc/84/24/52/1220842452.db2.gz BVLNBWNICWNVGI-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103162574 1220842453 /nfs/dbraw/zinc/84/24/53/1220842453.db2.gz BVLNBWNICWNVGI-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cccc2[nH+]ccn21 ZINC001103224214 1220853580 /nfs/dbraw/zinc/85/35/80/1220853580.db2.gz PMACYSPXDUWYFL-RBSFLKMASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cccc2[nH+]ccn21 ZINC001103224214 1220853582 /nfs/dbraw/zinc/85/35/82/1220853582.db2.gz PMACYSPXDUWYFL-RBSFLKMASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290379 1220861064 /nfs/dbraw/zinc/86/10/64/1220861064.db2.gz MXYJEHCVEKEVCM-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290379 1220861067 /nfs/dbraw/zinc/86/10/67/1220861067.db2.gz MXYJEHCVEKEVCM-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)NC1CCOCC1 ZINC001229301735 1225998251 /nfs/dbraw/zinc/99/82/51/1225998251.db2.gz WFOSJWGWJVNCJI-HUUCEWRRSA-N 2 2 363.462 0.264 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001103360529 1220870613 /nfs/dbraw/zinc/87/06/13/1220870613.db2.gz JEEFKNUYDBYQBT-INMHGKMJSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001103360529 1220870616 /nfs/dbraw/zinc/87/06/16/1220870616.db2.gz JEEFKNUYDBYQBT-INMHGKMJSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001103360529 1220870620 /nfs/dbraw/zinc/87/06/20/1220870620.db2.gz JEEFKNUYDBYQBT-INMHGKMJSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001103360529 1220870621 /nfs/dbraw/zinc/87/06/21/1220870621.db2.gz JEEFKNUYDBYQBT-INMHGKMJSA-N 2 2 366.506 0.189 20 0 FCADLP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](CC)CC ZINC001103427028 1220880498 /nfs/dbraw/zinc/88/04/98/1220880498.db2.gz YCAVYLZJIIPTOR-OAGGEKHMSA-N 2 2 365.526 0.905 20 0 FCADLP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](CC)CC ZINC001103427028 1220880501 /nfs/dbraw/zinc/88/05/01/1220880501.db2.gz YCAVYLZJIIPTOR-OAGGEKHMSA-N 2 2 365.526 0.905 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+]3CCOCC3)C2)[nH]1 ZINC001103536916 1220897395 /nfs/dbraw/zinc/89/73/95/1220897395.db2.gz IJPZRLWSBYPSSA-GDBMZVCRSA-N 2 2 364.494 0.410 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+]3CCOCC3)C2)[nH]1 ZINC001103536916 1220897396 /nfs/dbraw/zinc/89/73/96/1220897396.db2.gz IJPZRLWSBYPSSA-GDBMZVCRSA-N 2 2 364.494 0.410 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103677306 1220934926 /nfs/dbraw/zinc/93/49/26/1220934926.db2.gz WCTOUSUQJSPDSP-UXIGCNINSA-N 2 2 361.446 0.140 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001103677306 1220934930 /nfs/dbraw/zinc/93/49/30/1220934930.db2.gz WCTOUSUQJSPDSP-UXIGCNINSA-N 2 2 361.446 0.140 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688157 1220940550 /nfs/dbraw/zinc/94/05/50/1220940550.db2.gz MKPKFFDYQHTJDF-HZPDHXFCSA-N 2 2 363.506 0.952 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688157 1220940553 /nfs/dbraw/zinc/94/05/53/1220940553.db2.gz MKPKFFDYQHTJDF-HZPDHXFCSA-N 2 2 363.506 0.952 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001103740313 1220959102 /nfs/dbraw/zinc/95/91/02/1220959102.db2.gz CQJJWRTVGHTHRG-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001103740313 1220959109 /nfs/dbraw/zinc/95/91/09/1220959109.db2.gz CQJJWRTVGHTHRG-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001103740313 1220959113 /nfs/dbraw/zinc/95/91/13/1220959113.db2.gz CQJJWRTVGHTHRG-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001103740313 1220959118 /nfs/dbraw/zinc/95/91/18/1220959118.db2.gz CQJJWRTVGHTHRG-BFYDXBDKSA-N 2 2 364.494 0.110 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778855 1220971759 /nfs/dbraw/zinc/97/17/59/1220971759.db2.gz BXXGGVZNCZNJTP-ZIAGYGMSSA-N 2 2 361.450 0.607 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778855 1220971764 /nfs/dbraw/zinc/97/17/64/1220971764.db2.gz BXXGGVZNCZNJTP-ZIAGYGMSSA-N 2 2 361.450 0.607 20 0 FCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033885 1221001493 /nfs/dbraw/zinc/00/14/93/1221001493.db2.gz KDXVULPYHFBOON-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033885 1221001494 /nfs/dbraw/zinc/00/14/94/1221001494.db2.gz KDXVULPYHFBOON-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033886 1221001725 /nfs/dbraw/zinc/00/17/25/1221001725.db2.gz KDXVULPYHFBOON-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033886 1221001728 /nfs/dbraw/zinc/00/17/28/1221001728.db2.gz KDXVULPYHFBOON-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)c1nnnn1C ZINC001104132946 1221011883 /nfs/dbraw/zinc/01/18/83/1221011883.db2.gz IVGGBGBVOMUBAF-HZSPNIEDSA-N 2 2 360.466 0.701 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CCC1)C2 ZINC001111658559 1221055392 /nfs/dbraw/zinc/05/53/92/1221055392.db2.gz FVZXRGZWGVLQBH-QKLQHJQFSA-N 2 2 362.518 0.968 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC1CCC1)C2 ZINC001111658559 1221055394 /nfs/dbraw/zinc/05/53/94/1221055394.db2.gz FVZXRGZWGVLQBH-QKLQHJQFSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001111658559 1221055399 /nfs/dbraw/zinc/05/53/99/1221055399.db2.gz FVZXRGZWGVLQBH-QKLQHJQFSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001111658559 1221055401 /nfs/dbraw/zinc/05/54/01/1221055401.db2.gz FVZXRGZWGVLQBH-QKLQHJQFSA-N 2 2 362.518 0.968 20 0 FCADLP O=C(C[NH+]1CCC2(CNC(=O)O2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000781999843 1221121945 /nfs/dbraw/zinc/12/19/45/1221121945.db2.gz QJCASQDKWRCIJO-UHFFFAOYSA-N 2 2 372.469 0.905 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815951 1221124604 /nfs/dbraw/zinc/12/46/04/1221124604.db2.gz GUWWUFUVCXGZMM-DOXZYTNZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815951 1221124607 /nfs/dbraw/zinc/12/46/07/1221124607.db2.gz GUWWUFUVCXGZMM-DOXZYTNZSA-N 2 2 361.490 0.800 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111826550 1221128460 /nfs/dbraw/zinc/12/84/60/1221128460.db2.gz OEBSJYOANQYQLD-DEYYWGMASA-N 2 2 359.430 0.049 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111826550 1221128463 /nfs/dbraw/zinc/12/84/63/1221128463.db2.gz OEBSJYOANQYQLD-DEYYWGMASA-N 2 2 359.430 0.049 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC001111858173 1221139803 /nfs/dbraw/zinc/13/98/03/1221139803.db2.gz RMRFMTIKMRQVQM-KSSFIOAISA-N 2 2 361.494 0.821 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC001111858173 1221139809 /nfs/dbraw/zinc/13/98/09/1221139809.db2.gz RMRFMTIKMRQVQM-KSSFIOAISA-N 2 2 361.494 0.821 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)on1 ZINC001111861458 1221140082 /nfs/dbraw/zinc/14/00/82/1221140082.db2.gz ODGROQJGTUQONQ-KSSFIOAISA-N 2 2 363.462 0.844 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)on1 ZINC001111861458 1221140086 /nfs/dbraw/zinc/14/00/86/1221140086.db2.gz ODGROQJGTUQONQ-KSSFIOAISA-N 2 2 363.462 0.844 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)Nc1ccon1)C2 ZINC001111949999 1221182214 /nfs/dbraw/zinc/18/22/14/1221182214.db2.gz ZAPRYJMBZMCNJU-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)Nc1ccon1)C2 ZINC001111949999 1221182218 /nfs/dbraw/zinc/18/22/18/1221182218.db2.gz ZAPRYJMBZMCNJU-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccon1)C2 ZINC001111949999 1221182222 /nfs/dbraw/zinc/18/22/22/1221182222.db2.gz ZAPRYJMBZMCNJU-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C(F)(F)F ZINC001112127615 1221210679 /nfs/dbraw/zinc/21/06/79/1221210679.db2.gz XKMDJKSWOKXDMO-CHWSQXEVSA-N 2 2 369.347 0.673 20 0 FCADLP Cn1cncc1[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000783976228 1221226257 /nfs/dbraw/zinc/22/62/57/1221226257.db2.gz QPDZMGLCKBTPCM-KRWDZBQOSA-N 2 2 361.490 0.738 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1)[NH+]1CCOCC1 ZINC000784569779 1221248126 /nfs/dbraw/zinc/24/81/26/1221248126.db2.gz ASQJQXKUBGFMMC-MRXNPFEDSA-N 2 2 369.506 0.688 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1)[NH+]1CCOCC1 ZINC000784569779 1221248129 /nfs/dbraw/zinc/24/81/29/1221248129.db2.gz ASQJQXKUBGFMMC-MRXNPFEDSA-N 2 2 369.506 0.688 20 0 FCADLP [NH2+]=C(NOCc1nnc2n1CCOC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000797846228 1221274838 /nfs/dbraw/zinc/27/48/38/1221274838.db2.gz QSJVANNBHCIMCU-HNNXBMFYSA-N 2 2 372.429 0.708 20 0 FCADLP [NH2+]=C(NOCc1nnc2n1CCOC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000797846228 1221274844 /nfs/dbraw/zinc/27/48/44/1221274844.db2.gz QSJVANNBHCIMCU-HNNXBMFYSA-N 2 2 372.429 0.708 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC[NH+]3CC=CC3)c2)CC1 ZINC001116712398 1221382482 /nfs/dbraw/zinc/38/24/82/1221382482.db2.gz CBPQCFQZNJUMJJ-UHFFFAOYSA-N 2 2 371.485 0.361 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001230018874 1226046335 /nfs/dbraw/zinc/04/63/35/1226046335.db2.gz IGEFLADJOVBZPF-RBSFLKMASA-N 2 2 361.446 0.175 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001117355736 1221529460 /nfs/dbraw/zinc/52/94/60/1221529460.db2.gz DBXOSDJBUVIQHZ-HZPDHXFCSA-N 2 2 359.474 0.719 20 0 FCADLP COCCCn1nccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001118242779 1221740868 /nfs/dbraw/zinc/74/08/68/1221740868.db2.gz JAHWHDGLZJGTPK-UHFFFAOYSA-N 2 2 359.478 0.994 20 0 FCADLP CN(C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118319870 1221757885 /nfs/dbraw/zinc/75/78/85/1221757885.db2.gz RFGJJWNDBXLAGJ-SOUVJXGZSA-N 2 2 370.444 0.337 20 0 FCADLP CN(C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118319870 1221757890 /nfs/dbraw/zinc/75/78/90/1221757890.db2.gz RFGJJWNDBXLAGJ-SOUVJXGZSA-N 2 2 370.444 0.337 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC001118573432 1221802475 /nfs/dbraw/zinc/80/24/75/1221802475.db2.gz AOIZIFVXGKALLQ-OAHLLOKOSA-N 2 2 356.430 0.707 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)n1 ZINC001118573432 1221802476 /nfs/dbraw/zinc/80/24/76/1221802476.db2.gz AOIZIFVXGKALLQ-OAHLLOKOSA-N 2 2 356.430 0.707 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCOCCO)C2 ZINC001121791747 1222212399 /nfs/dbraw/zinc/21/23/99/1222212399.db2.gz XMKVCIDKXPLGQB-UFSDWWJCSA-N 2 2 362.474 0.550 20 0 FCADLP C[NH2+]C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC001121954092 1222227954 /nfs/dbraw/zinc/22/79/54/1222227954.db2.gz YYDOPXNNLNKMGV-HNNXBMFYSA-N 2 2 374.489 0.540 20 0 FCADLP C[NH2+]C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC001121954092 1222227958 /nfs/dbraw/zinc/22/79/58/1222227958.db2.gz YYDOPXNNLNKMGV-HNNXBMFYSA-N 2 2 374.489 0.540 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123695605 1222351561 /nfs/dbraw/zinc/35/15/61/1222351561.db2.gz UXMFGXVADWMSLV-AEFFLSMTSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123695605 1222351566 /nfs/dbraw/zinc/35/15/66/1222351566.db2.gz UXMFGXVADWMSLV-AEFFLSMTSA-N 2 2 367.538 0.375 20 0 FCADLP Cc1nc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001124850954 1222388590 /nfs/dbraw/zinc/38/85/90/1222388590.db2.gz WGUGNPINKFEQJD-HFBAOOFYSA-N 2 2 365.478 0.352 20 0 FCADLP Cc1nc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001124850954 1222388598 /nfs/dbraw/zinc/38/85/98/1222388598.db2.gz WGUGNPINKFEQJD-HFBAOOFYSA-N 2 2 365.478 0.352 20 0 FCADLP Cc1nc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001124850955 1222389483 /nfs/dbraw/zinc/38/94/83/1222389483.db2.gz WGUGNPINKFEQJD-XFBWCDHKSA-N 2 2 365.478 0.352 20 0 FCADLP Cc1nc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c(C)c(C)[nH+]1 ZINC001124850955 1222389486 /nfs/dbraw/zinc/38/94/86/1222389486.db2.gz WGUGNPINKFEQJD-XFBWCDHKSA-N 2 2 365.478 0.352 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)c2N)CC[NH+]1C ZINC000828775755 1222417260 /nfs/dbraw/zinc/41/72/60/1222417260.db2.gz XCJKQDDUXKOOAU-GASCZTMLSA-N 2 2 373.501 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)c2N)CC[NH+]1C ZINC000828775755 1222417262 /nfs/dbraw/zinc/41/72/62/1222417262.db2.gz XCJKQDDUXKOOAU-GASCZTMLSA-N 2 2 373.501 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[NH+](C)[C@@H](C)C3)c2N)CC[N@@H+]1C ZINC000828775755 1222417266 /nfs/dbraw/zinc/41/72/66/1222417266.db2.gz XCJKQDDUXKOOAU-GASCZTMLSA-N 2 2 373.501 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[NH+](C)[C@@H](C)C3)c2N)CC[N@H+]1C ZINC000828775755 1222417270 /nfs/dbraw/zinc/41/72/70/1222417270.db2.gz XCJKQDDUXKOOAU-GASCZTMLSA-N 2 2 373.501 0.821 20 0 FCADLP CCCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139038537 1222538393 /nfs/dbraw/zinc/53/83/93/1222538393.db2.gz CLJJDBZMFRLINN-QZTJIDSGSA-N 2 2 363.506 0.904 20 0 FCADLP CCCn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139038537 1222538397 /nfs/dbraw/zinc/53/83/97/1222538397.db2.gz CLJJDBZMFRLINN-QZTJIDSGSA-N 2 2 363.506 0.904 20 0 FCADLP CCCn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139038537 1222538399 /nfs/dbraw/zinc/53/83/99/1222538399.db2.gz CLJJDBZMFRLINN-QZTJIDSGSA-N 2 2 363.506 0.904 20 0 FCADLP CCCn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001139038537 1222538404 /nfs/dbraw/zinc/53/84/04/1222538404.db2.gz CLJJDBZMFRLINN-QZTJIDSGSA-N 2 2 363.506 0.904 20 0 FCADLP Cc1c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(=O)n(-c2ccccc2)n1C ZINC001140848600 1222616794 /nfs/dbraw/zinc/61/67/94/1222616794.db2.gz WKELTHCYZNUGFI-UHFFFAOYSA-N 2 2 355.486 0.916 20 0 FCADLP Cc1ncc(CO)c(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1O ZINC001140870662 1222618939 /nfs/dbraw/zinc/61/89/39/1222618939.db2.gz YXRPVEAGRLFFCF-UHFFFAOYSA-N 2 2 362.474 0.750 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000837886769 1222661673 /nfs/dbraw/zinc/66/16/73/1222661673.db2.gz RKRNHXMLZIRXQY-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001232361023 1226148876 /nfs/dbraw/zinc/14/88/76/1226148876.db2.gz CBMGKWQZDARBNO-KRWDZBQOSA-N 2 2 374.485 0.845 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000842034868 1222833313 /nfs/dbraw/zinc/83/33/13/1222833313.db2.gz CBLOICVQQONJFF-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1C ZINC000842148750 1222837146 /nfs/dbraw/zinc/83/71/46/1222837146.db2.gz OIYZJKIBYYZTAL-UHFFFAOYSA-N 2 2 360.458 0.925 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000842149011 1222837508 /nfs/dbraw/zinc/83/75/08/1222837508.db2.gz SDOFYNHPEKTJHB-SOUVJXGZSA-N 2 2 360.458 0.909 20 0 FCADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@]1(O)CCc2ccccc21 ZINC000842624667 1222850112 /nfs/dbraw/zinc/85/01/12/1222850112.db2.gz OONZDTQBCBHHLB-HXUWFJFHSA-N 2 2 372.469 0.726 20 0 FCADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C[C@]1(O)CCc2ccccc21 ZINC000842624667 1222850115 /nfs/dbraw/zinc/85/01/15/1222850115.db2.gz OONZDTQBCBHHLB-HXUWFJFHSA-N 2 2 372.469 0.726 20 0 FCADLP CC[N@H+](Cc1ccc(OC)nn1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997926 1222998794 /nfs/dbraw/zinc/99/87/94/1222998794.db2.gz FHRKESLIOXBTRH-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[N@@H+](Cc1ccc(OC)nn1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997926 1222998798 /nfs/dbraw/zinc/99/87/98/1222998798.db2.gz FHRKESLIOXBTRH-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[NH+](Cc1ccc(OC)nn1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997926 1222998806 /nfs/dbraw/zinc/99/88/06/1222998806.db2.gz FHRKESLIOXBTRH-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[N@H+](CCCOC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154414861 1223008362 /nfs/dbraw/zinc/00/83/62/1223008362.db2.gz DHWIHNZMHACCHN-KURKYZTESA-N 2 2 371.522 0.729 20 0 FCADLP CC[N@@H+](CCCOC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154414861 1223008365 /nfs/dbraw/zinc/00/83/65/1223008365.db2.gz DHWIHNZMHACCHN-KURKYZTESA-N 2 2 371.522 0.729 20 0 FCADLP C[NH+]1CCN(c2cccc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)n2)CC1 ZINC001155488770 1223036751 /nfs/dbraw/zinc/03/67/51/1223036751.db2.gz KMJJHILAHDHLIO-UHFFFAOYSA-N 2 2 369.473 0.496 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000977803108 1248651175 /nfs/dbraw/zinc/65/11/75/1248651175.db2.gz XVYOKOXSMCKHKB-DJIMGWMZSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000977803108 1248651189 /nfs/dbraw/zinc/65/11/89/1248651189.db2.gz XVYOKOXSMCKHKB-DJIMGWMZSA-N 2 2 361.490 0.752 20 0 FCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]([NH3+])CCC(=O)OCc2ccccc2)n[nH]1 ZINC001157440027 1223077031 /nfs/dbraw/zinc/07/70/31/1223077031.db2.gz QGGNFYJYOSTERF-CYBMUJFWSA-N 2 2 358.402 0.795 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157626166 1223079193 /nfs/dbraw/zinc/07/91/93/1223079193.db2.gz BMKIQULQJBEUOH-INIZCTEOSA-N 2 2 371.441 0.363 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001157673993 1223080634 /nfs/dbraw/zinc/08/06/34/1223080634.db2.gz ULZOFTGWZLQBAU-ULQDDVLXSA-N 2 2 358.442 0.718 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)C1 ZINC001157673273 1223080775 /nfs/dbraw/zinc/08/07/75/1223080775.db2.gz LIFDXRQAKCTDTB-XIRDDKMYSA-N 2 2 358.442 0.860 20 0 FCADLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)CC2)c2ccccc2[nH+]1 ZINC001157874666 1223083579 /nfs/dbraw/zinc/08/35/79/1223083579.db2.gz PAZYXIWYOQAJNW-AWEZNQCLSA-N 2 2 366.429 0.275 20 0 FCADLP COCCOCC[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158256076 1223091553 /nfs/dbraw/zinc/09/15/53/1223091553.db2.gz CIZYGUSMBKPYGT-IAGOWNOFSA-N 2 2 364.490 0.913 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@]24CC[C@@H]([NH2+]2)[C@H]([NH3+])C4)CC3)cn1 ZINC001158982566 1223114455 /nfs/dbraw/zinc/11/44/55/1223114455.db2.gz JGYODXUAHYFAAY-PSLQGDIJSA-N 2 2 359.474 0.507 20 0 FCADLP NC1(C(=O)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC[NH2+]CC1 ZINC001159038758 1223116273 /nfs/dbraw/zinc/11/62/73/1223116273.db2.gz VUUQIHPHNNDSSP-UHFFFAOYSA-N 2 2 362.474 0.554 20 0 FCADLP NC1(C(=O)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC[NH2+]CC1 ZINC001159038758 1223116274 /nfs/dbraw/zinc/11/62/74/1223116274.db2.gz VUUQIHPHNNDSSP-UHFFFAOYSA-N 2 2 362.474 0.554 20 0 FCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001159074422 1223116666 /nfs/dbraw/zinc/11/66/66/1223116666.db2.gz BDKYROHBBZASGU-GJYPPUQNSA-N 2 2 369.506 0.875 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001159075737 1223116768 /nfs/dbraw/zinc/11/67/68/1223116768.db2.gz GIZWXLMGURHSES-QFBILLFUSA-N 2 2 365.474 0.551 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210482 1223120890 /nfs/dbraw/zinc/12/08/90/1223120890.db2.gz RBBAJEHBYWBEOO-MWDXBVQZSA-N 2 2 357.414 0.117 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001159257332 1223122178 /nfs/dbraw/zinc/12/21/78/1223122178.db2.gz NMGPMDKAADQAEB-XNWPKKHHSA-N 2 2 369.469 0.043 20 0 FCADLP CC[C@@H]1N(C(=O)C2([NH3+])CC[NH2+]CC2)CCC[C@]12CCC(=O)N2CCOC ZINC001159276906 1223122510 /nfs/dbraw/zinc/12/25/10/1223122510.db2.gz PSQYSODMLXKDNY-KXBFYZLASA-N 2 2 366.506 0.476 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCc3c(COCc4ccccn4)cncc3C2)C1 ZINC001159284683 1223123048 /nfs/dbraw/zinc/12/30/48/1223123048.db2.gz ZLPSLDYYMBXBNL-LPHOPBHVSA-N 2 2 367.453 0.767 20 0 FCADLP [NH3+]C1(C(=O)N2Cc3cncn3C[C@@H](COc3cccnc3)C2)CC[NH2+]CC1 ZINC001159283712 1223123230 /nfs/dbraw/zinc/12/32/30/1223123230.db2.gz SUEQUGJVLGDXNU-HNNXBMFYSA-N 2 2 370.457 0.396 20 0 FCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001159382054 1223125386 /nfs/dbraw/zinc/12/53/86/1223125386.db2.gz MJIPLHMNOCFAGT-MRXNPFEDSA-N 3 2 360.506 0.206 20 0 FCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633551 1223131794 /nfs/dbraw/zinc/13/17/94/1223131794.db2.gz MZYBBNWWGKWPEC-HOCLYGCPSA-N 2 2 372.473 0.984 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001159676936 1223133511 /nfs/dbraw/zinc/13/35/11/1223133511.db2.gz AAWDZIAQBPGSES-UHFFFAOYSA-N 2 2 359.474 0.185 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CC[NH2+]CC1 ZINC001159700637 1223134400 /nfs/dbraw/zinc/13/44/00/1223134400.db2.gz SOTSJONQQREDCQ-MRXNPFEDSA-N 2 2 356.470 0.590 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159856618 1223138035 /nfs/dbraw/zinc/13/80/35/1223138035.db2.gz VKPMCPZWYLMNEY-NVXWUHKLSA-N 3 2 362.449 0.571 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159856618 1223138037 /nfs/dbraw/zinc/13/80/37/1223138037.db2.gz VKPMCPZWYLMNEY-NVXWUHKLSA-N 3 2 362.449 0.571 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)C1 ZINC001159866295 1223138976 /nfs/dbraw/zinc/13/89/76/1223138976.db2.gz AZCYGFLFNXUAKF-PYEHWJAESA-N 2 2 360.433 0.938 20 0 FCADLP O=C(N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159905137 1223139474 /nfs/dbraw/zinc/13/94/74/1223139474.db2.gz KEVPBGFUCOXTKK-FXECBMLZSA-N 2 2 358.442 0.172 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]12 ZINC001159990087 1223141918 /nfs/dbraw/zinc/14/19/18/1223141918.db2.gz GHLYSLLVZHZANH-ICSRJNTNSA-N 2 2 370.497 0.858 20 0 FCADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001160036595 1223143583 /nfs/dbraw/zinc/14/35/83/1223143583.db2.gz SJDHIOWRNWHSSB-SFHVURJKSA-N 2 2 366.469 0.695 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086032 1223144835 /nfs/dbraw/zinc/14/48/35/1223144835.db2.gz QNHBGFPNWAYACK-FRQCXROJSA-N 2 2 368.441 0.230 20 0 FCADLP Cc1ccc(N2C[C@]3(CCN(C(=O)[C@]45C[NH2+]C[C@@H]4CC[NH2+]5)C3)CC2=O)s1 ZINC001160094528 1223145231 /nfs/dbraw/zinc/14/52/31/1223145231.db2.gz OIHANPCVNFDRIG-KYNGSXCRSA-N 2 2 374.510 0.963 20 0 FCADLP Cc1ccc(N(C(=O)[C@@H]([NH3+])CC[NH3+])c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160172617 1223148348 /nfs/dbraw/zinc/14/83/48/1223148348.db2.gz ZOISFFPJUBVBCM-INIZCTEOSA-N 3 2 354.458 0.814 20 0 FCADLP Cn1cc(N2C[C@@H]3CN(C(=O)c4ccc([C@H]([NH3+])C[NH3+])cc4)C[C@@H]3C2=O)cn1 ZINC001160219257 1223150121 /nfs/dbraw/zinc/15/01/21/1223150121.db2.gz VUXIOZVLHHNFKZ-BHYGNILZSA-N 2 2 368.441 0.114 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)C1 ZINC001160231622 1223150957 /nfs/dbraw/zinc/15/09/57/1223150957.db2.gz SIZGIPFQCRDFEH-HEHGZKQESA-N 2 2 366.416 0.230 20 0 FCADLP CC(C)CN1c2ccccc2[C@@]2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C2)C1=O ZINC001160284190 1223153360 /nfs/dbraw/zinc/15/33/60/1223153360.db2.gz ZOQGPVSZPSLKEE-UVFQYZLESA-N 2 2 356.470 0.706 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)Nc1ncccn1 ZINC001160327412 1223154750 /nfs/dbraw/zinc/15/47/50/1223154750.db2.gz YNIRJMLLNFMHPF-YNEHKIRRSA-N 2 2 357.418 0.426 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)Nc1ncccn1 ZINC001160327412 1223154756 /nfs/dbraw/zinc/15/47/56/1223154756.db2.gz YNIRJMLLNFMHPF-YNEHKIRRSA-N 2 2 357.418 0.426 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001160326216 1223155235 /nfs/dbraw/zinc/15/52/35/1223155235.db2.gz PHTWUHWGZQREQD-GJZGRUSLSA-N 2 2 373.461 0.516 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336654 1223155506 /nfs/dbraw/zinc/15/55/06/1223155506.db2.gz HYSLCIAIGCSVHS-RRFJBIMHSA-N 2 2 365.478 0.540 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336654 1223155508 /nfs/dbraw/zinc/15/55/08/1223155508.db2.gz HYSLCIAIGCSVHS-RRFJBIMHSA-N 2 2 365.478 0.540 20 0 FCADLP [NH3+]C1(C(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)CC[NH2+]CC1 ZINC001160434124 1223160076 /nfs/dbraw/zinc/16/00/76/1223160076.db2.gz FCQNYZXWXCWVMK-UHFFFAOYSA-N 2 2 356.430 0.919 20 0 FCADLP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482782 1223162710 /nfs/dbraw/zinc/16/27/10/1223162710.db2.gz MJCWLXXMDHTKQS-ICSRJNTNSA-N 2 2 371.529 0.842 20 0 FCADLP O=C(c1c[nH]c2ccccc12)N1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160537445 1223164058 /nfs/dbraw/zinc/16/40/58/1223164058.db2.gz KZCGTMUHNINFGE-DOPJRALCSA-N 2 2 367.453 0.402 20 0 FCADLP O=C(NCCC1=CC[N@H+](CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001160744843 1223170250 /nfs/dbraw/zinc/17/02/50/1223170250.db2.gz SKRSZGISSZZMTK-MSOLQXFVSA-N 2 2 369.481 0.974 20 0 FCADLP O=C(NCCC1=CC[N@@H+](CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001160744843 1223170252 /nfs/dbraw/zinc/17/02/52/1223170252.db2.gz SKRSZGISSZZMTK-MSOLQXFVSA-N 2 2 369.481 0.974 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160837885 1223176843 /nfs/dbraw/zinc/17/68/43/1223176843.db2.gz DOKGFGGSYJIEBU-HNNXBMFYSA-N 2 2 360.462 0.104 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC001160893902 1223179754 /nfs/dbraw/zinc/17/97/54/1223179754.db2.gz MJTSLQQAUSTIRP-AWEZNQCLSA-N 2 2 353.430 0.515 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001160942217 1223180899 /nfs/dbraw/zinc/18/08/99/1223180899.db2.gz VOQKWBSJIWRJPO-KRWDZBQOSA-N 2 2 355.442 0.583 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)c1 ZINC001160939990 1223181254 /nfs/dbraw/zinc/18/12/54/1223181254.db2.gz AHNXFTWUUPVSIJ-JXFKEZNVSA-N 2 2 374.485 0.312 20 0 FCADLP COc1cc(N2CCN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)CC2)ncn1 ZINC001161092813 1223185868 /nfs/dbraw/zinc/18/58/68/1223185868.db2.gz BMPAUVQYLCAQMN-HNNXBMFYSA-N 2 2 356.430 0.406 20 0 FCADLP CC1(C)N(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[C@@]12c1ccccc1OC2=O ZINC001161161663 1223187678 /nfs/dbraw/zinc/18/76/78/1223187678.db2.gz XCOXYVKXXWXEKC-MRFFXTKBSA-N 2 2 355.438 0.806 20 0 FCADLP CC1(C)N(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[C@]12c1ccccc1OC2=O ZINC001161161662 1223188026 /nfs/dbraw/zinc/18/80/26/1223188026.db2.gz XCOXYVKXXWXEKC-GBLZOACLSA-N 2 2 355.438 0.806 20 0 FCADLP O=C(NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1)c1cccc(F)c1 ZINC001161252768 1223191920 /nfs/dbraw/zinc/19/19/20/1223191920.db2.gz NOEZXDVNHUVMLW-KUHUBIRLSA-N 2 2 360.433 0.498 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001161252803 1223191957 /nfs/dbraw/zinc/19/19/57/1223191957.db2.gz OUBVEORCSGSQMO-INIZCTEOSA-N 2 2 359.405 0.840 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001161253445 1223192774 /nfs/dbraw/zinc/19/27/74/1223192774.db2.gz SSOYWULDNDBWND-BRWVUGGUSA-N 2 2 371.485 0.941 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001161253445 1223192775 /nfs/dbraw/zinc/19/27/75/1223192775.db2.gz SSOYWULDNDBWND-BRWVUGGUSA-N 2 2 371.485 0.941 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001161274290 1223193731 /nfs/dbraw/zinc/19/37/31/1223193731.db2.gz QGQRSCHEQHFJDA-IXDOHACOSA-N 2 2 360.458 0.703 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@H]3CCCN([C@@H]4CC[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001161306778 1223195336 /nfs/dbraw/zinc/19/53/36/1223195336.db2.gz YXUWLSHKNIBTOT-FUHWJXTLSA-N 2 2 373.501 0.813 20 0 FCADLP O=C(CCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1)c1ccc(F)cc1 ZINC001161516315 1223203420 /nfs/dbraw/zinc/20/34/20/1223203420.db2.gz BPFIOXXRPVHGHB-WMZOPIPTSA-N 2 2 363.433 0.513 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]cn1 ZINC001161587856 1223205760 /nfs/dbraw/zinc/20/57/60/1223205760.db2.gz QHYJMPANMNHOSG-HNNXBMFYSA-N 2 2 367.457 0.780 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC([NH3+])(c3cccnc3)CC2)nc[nH+]1 ZINC001161587856 1223205761 /nfs/dbraw/zinc/20/57/61/1223205761.db2.gz QHYJMPANMNHOSG-HNNXBMFYSA-N 2 2 367.457 0.780 20 0 FCADLP CC(C)OCCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163000496 1223223472 /nfs/dbraw/zinc/22/34/72/1223223472.db2.gz SFOVOMHVHDLTHX-MSOLQXFVSA-N 2 2 371.522 0.777 20 0 FCADLP NC(=O)[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070890 1223241069 /nfs/dbraw/zinc/24/10/69/1223241069.db2.gz CBVRJYXLFALSCE-KRWDZBQOSA-N 2 2 352.442 0.298 20 0 FCADLP NC(=O)[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC[NH2+]1 ZINC001165070890 1223241072 /nfs/dbraw/zinc/24/10/72/1223241072.db2.gz CBVRJYXLFALSCE-KRWDZBQOSA-N 2 2 352.442 0.298 20 0 FCADLP NC(=O)[C@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001165071216 1223241287 /nfs/dbraw/zinc/24/12/87/1223241287.db2.gz FRNDIPYFTKABDE-QGZVFWFLSA-N 2 2 352.442 0.298 20 0 FCADLP NC(=O)[C@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC[NH2+]1 ZINC001165071216 1223241290 /nfs/dbraw/zinc/24/12/90/1223241290.db2.gz FRNDIPYFTKABDE-QGZVFWFLSA-N 2 2 352.442 0.298 20 0 FCADLP c1cn(Cc2nnn3c2CN(c2ncnc4c2CC[NH2+]CC4)CCC3)c[nH+]1 ZINC001165882823 1223260931 /nfs/dbraw/zinc/26/09/31/1223260931.db2.gz XRLAMOZNNGLHIT-UHFFFAOYSA-N 2 2 365.445 0.411 20 0 FCADLP CCc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)on1 ZINC001203217356 1223293182 /nfs/dbraw/zinc/29/31/82/1223293182.db2.gz CFBFQOASCGAWQU-UHFFFAOYSA-N 2 2 363.506 0.907 20 0 FCADLP CCc1cc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)on1 ZINC001203217356 1223293185 /nfs/dbraw/zinc/29/31/85/1223293185.db2.gz CFBFQOASCGAWQU-UHFFFAOYSA-N 2 2 363.506 0.907 20 0 FCADLP O=C(CCn1cc[nH+]c1)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205163334 1223313508 /nfs/dbraw/zinc/31/35/08/1223313508.db2.gz ARRAURKEEIWXOF-QZTJIDSGSA-N 2 2 358.442 0.339 20 0 FCADLP O=C(CCn1cc[nH+]c1)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205163334 1223313511 /nfs/dbraw/zinc/31/35/11/1223313511.db2.gz ARRAURKEEIWXOF-QZTJIDSGSA-N 2 2 358.442 0.339 20 0 FCADLP C[NH+](C)CCOCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001205211197 1223316722 /nfs/dbraw/zinc/31/67/22/1223316722.db2.gz AFOFBFOSTFHDQE-QZTJIDSGSA-N 2 2 367.465 0.608 20 0 FCADLP C[NH+](C)CCOCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001205211197 1223316723 /nfs/dbraw/zinc/31/67/23/1223316723.db2.gz AFOFBFOSTFHDQE-QZTJIDSGSA-N 2 2 367.465 0.608 20 0 FCADLP O=C(NCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)C1CC1 ZINC001205487571 1223327803 /nfs/dbraw/zinc/32/78/03/1223327803.db2.gz IBJIPEYMKRKSQW-HZPDHXFCSA-N 2 2 359.474 0.868 20 0 FCADLP O=C(NCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)C1CC1 ZINC001205487571 1223327806 /nfs/dbraw/zinc/32/78/06/1223327806.db2.gz IBJIPEYMKRKSQW-HZPDHXFCSA-N 2 2 359.474 0.868 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205691824 1223335166 /nfs/dbraw/zinc/33/51/66/1223335166.db2.gz FWNSIVPDSVWMNK-GOEBONIOSA-N 2 2 359.405 0.352 20 0 FCADLP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206620666 1223363903 /nfs/dbraw/zinc/36/39/03/1223363903.db2.gz XCECGFWKJOGOHG-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206620666 1223363906 /nfs/dbraw/zinc/36/39/06/1223363906.db2.gz XCECGFWKJOGOHG-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206620666 1223363910 /nfs/dbraw/zinc/36/39/10/1223363910.db2.gz XCECGFWKJOGOHG-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206620666 1223363914 /nfs/dbraw/zinc/36/39/14/1223363914.db2.gz XCECGFWKJOGOHG-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206954994 1223394640 /nfs/dbraw/zinc/39/46/40/1223394640.db2.gz GKSBURYHXFMYEY-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206954994 1223394644 /nfs/dbraw/zinc/39/46/44/1223394644.db2.gz GKSBURYHXFMYEY-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206954994 1223394648 /nfs/dbraw/zinc/39/46/48/1223394648.db2.gz GKSBURYHXFMYEY-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206954994 1223394651 /nfs/dbraw/zinc/39/46/51/1223394651.db2.gz GKSBURYHXFMYEY-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP CCc1nccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001207087682 1223415926 /nfs/dbraw/zinc/41/59/26/1223415926.db2.gz LTOGEMMXNDCHSD-UHFFFAOYSA-N 2 2 374.533 0.709 20 0 FCADLP CCc1nccc(CN2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001207087682 1223415930 /nfs/dbraw/zinc/41/59/30/1223415930.db2.gz LTOGEMMXNDCHSD-UHFFFAOYSA-N 2 2 374.533 0.709 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686445 1223470457 /nfs/dbraw/zinc/47/04/57/1223470457.db2.gz BHVMRPXHDNJBFP-MUIFIZLQSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686445 1223470459 /nfs/dbraw/zinc/47/04/59/1223470459.db2.gz BHVMRPXHDNJBFP-MUIFIZLQSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207686445 1223470460 /nfs/dbraw/zinc/47/04/60/1223470460.db2.gz BHVMRPXHDNJBFP-MUIFIZLQSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207686445 1223470464 /nfs/dbraw/zinc/47/04/64/1223470464.db2.gz BHVMRPXHDNJBFP-MUIFIZLQSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706217 1223472849 /nfs/dbraw/zinc/47/28/49/1223472849.db2.gz ULWREDAEQINVGR-HZPDHXFCSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706217 1223472851 /nfs/dbraw/zinc/47/28/51/1223472851.db2.gz ULWREDAEQINVGR-HZPDHXFCSA-N 2 2 368.522 0.306 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281612 1223530515 /nfs/dbraw/zinc/53/05/15/1223530515.db2.gz QQUVIEOZJWFGGO-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281612 1223530517 /nfs/dbraw/zinc/53/05/17/1223530517.db2.gz QQUVIEOZJWFGGO-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485131 1223550837 /nfs/dbraw/zinc/55/08/37/1223550837.db2.gz FQSDKGAYNQFVNU-HYVNUMGLSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485131 1223550843 /nfs/dbraw/zinc/55/08/43/1223550843.db2.gz FQSDKGAYNQFVNU-HYVNUMGLSA-N 2 2 366.506 0.060 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985270 1223590060 /nfs/dbraw/zinc/59/00/60/1223590060.db2.gz OYEXVGIRKOGDQA-HLLBOEOZSA-N 2 2 365.478 0.423 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985270 1223590063 /nfs/dbraw/zinc/59/00/63/1223590063.db2.gz OYEXVGIRKOGDQA-HLLBOEOZSA-N 2 2 365.478 0.423 20 0 FCADLP CCN(CC)C(=O)CN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609160 1223592386 /nfs/dbraw/zinc/59/23/86/1223592386.db2.gz HNXWHXGGOJDPEB-LJQANCHMSA-N 2 2 366.506 0.648 20 0 FCADLP CCN(CC)C(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609160 1223592388 /nfs/dbraw/zinc/59/23/88/1223592388.db2.gz HNXWHXGGOJDPEB-LJQANCHMSA-N 2 2 366.506 0.648 20 0 FCADLP Cc1cccc(CO[C@@H]2C[C@@H]3CN(CC[NH+]4CCOCC4)CC[N@@H+]3C2)n1 ZINC001209289504 1223607825 /nfs/dbraw/zinc/60/78/25/1223607825.db2.gz DKUFSPBFDBKHBE-WOJBJXKFSA-N 2 2 360.502 0.997 20 0 FCADLP Cc1cccc(CO[C@@H]2C[C@@H]3CN(CC[NH+]4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289504 1223607827 /nfs/dbraw/zinc/60/78/27/1223607827.db2.gz DKUFSPBFDBKHBE-WOJBJXKFSA-N 2 2 360.502 0.997 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209478704 1223623429 /nfs/dbraw/zinc/62/34/29/1223623429.db2.gz YKHYNMDQFVOSQQ-BRWVUGGUSA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478529 1223623934 /nfs/dbraw/zinc/62/39/34/1223623934.db2.gz VOBRJJYJQYZGSX-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478529 1223623937 /nfs/dbraw/zinc/62/39/37/1223623937.db2.gz VOBRJJYJQYZGSX-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209488130 1223624415 /nfs/dbraw/zinc/62/44/15/1223624415.db2.gz JIRCLSOLMRRXBP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209488130 1223624416 /nfs/dbraw/zinc/62/44/16/1223624416.db2.gz JIRCLSOLMRRXBP-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514877 1223627534 /nfs/dbraw/zinc/62/75/34/1223627534.db2.gz QHRLETAKQQBPCD-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514877 1223627538 /nfs/dbraw/zinc/62/75/38/1223627538.db2.gz QHRLETAKQQBPCD-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP Nc1cc[nH+]cc1CN1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001209731004 1223645448 /nfs/dbraw/zinc/64/54/48/1223645448.db2.gz SFIOMJAACGKQIN-HXUWFJFHSA-N 2 2 369.469 0.993 20 0 FCADLP Nc1cc[nH+]cc1CN1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001209731004 1223645449 /nfs/dbraw/zinc/64/54/49/1223645449.db2.gz SFIOMJAACGKQIN-HXUWFJFHSA-N 2 2 369.469 0.993 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251680 1223678762 /nfs/dbraw/zinc/67/87/62/1223678762.db2.gz XPKNIQXJEZNFNJ-FRFSOERESA-N 2 2 359.430 0.325 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251680 1223678763 /nfs/dbraw/zinc/67/87/63/1223678763.db2.gz XPKNIQXJEZNFNJ-FRFSOERESA-N 2 2 359.430 0.325 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210283105 1223680909 /nfs/dbraw/zinc/68/09/09/1223680909.db2.gz FXIBNUXMUXQPLE-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210283105 1223680912 /nfs/dbraw/zinc/68/09/12/1223680912.db2.gz FXIBNUXMUXQPLE-HLLBOEOZSA-N 2 2 363.506 0.950 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210538458 1223696729 /nfs/dbraw/zinc/69/67/29/1223696729.db2.gz AUNCVFSGUYFBND-HUUCEWRRSA-N 2 2 369.510 0.391 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210538458 1223696731 /nfs/dbraw/zinc/69/67/31/1223696731.db2.gz AUNCVFSGUYFBND-HUUCEWRRSA-N 2 2 369.510 0.391 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210538458 1223696736 /nfs/dbraw/zinc/69/67/36/1223696736.db2.gz AUNCVFSGUYFBND-HUUCEWRRSA-N 2 2 369.510 0.391 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210538458 1223696740 /nfs/dbraw/zinc/69/67/40/1223696740.db2.gz AUNCVFSGUYFBND-HUUCEWRRSA-N 2 2 369.510 0.391 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342062 1223788102 /nfs/dbraw/zinc/78/81/02/1223788102.db2.gz FJIFUGGGIZHIGQ-HZPDHXFCSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1)C1CC1 ZINC001213342062 1223788103 /nfs/dbraw/zinc/78/81/03/1223788103.db2.gz FJIFUGGGIZHIGQ-HZPDHXFCSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374709 1223791605 /nfs/dbraw/zinc/79/16/05/1223791605.db2.gz TULRIGWLMBHXKZ-IXDOHACOSA-N 2 2 371.428 0.765 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374709 1223791608 /nfs/dbraw/zinc/79/16/08/1223791608.db2.gz TULRIGWLMBHXKZ-IXDOHACOSA-N 2 2 371.428 0.765 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374486 1223791880 /nfs/dbraw/zinc/79/18/80/1223791880.db2.gz IURZOGMLNRBQLB-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374486 1223791882 /nfs/dbraw/zinc/79/18/82/1223791882.db2.gz IURZOGMLNRBQLB-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213434599 1223798224 /nfs/dbraw/zinc/79/82/24/1223798224.db2.gz IJVABSLVDKYKKN-IXDOHACOSA-N 2 2 370.538 0.791 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213434599 1223798227 /nfs/dbraw/zinc/79/82/27/1223798227.db2.gz IJVABSLVDKYKKN-IXDOHACOSA-N 2 2 370.538 0.791 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449344 1223800028 /nfs/dbraw/zinc/80/00/28/1223800028.db2.gz KYDRLWJKIRTPOF-NUEKZKHPSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449344 1223800030 /nfs/dbraw/zinc/80/00/30/1223800030.db2.gz KYDRLWJKIRTPOF-NUEKZKHPSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213449344 1223800032 /nfs/dbraw/zinc/80/00/32/1223800032.db2.gz KYDRLWJKIRTPOF-NUEKZKHPSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213449344 1223800033 /nfs/dbraw/zinc/80/00/33/1223800033.db2.gz KYDRLWJKIRTPOF-NUEKZKHPSA-N 2 2 368.522 0.447 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001213458519 1223801809 /nfs/dbraw/zinc/80/18/09/1223801809.db2.gz ZXUNGHNFHAOAKZ-KCYZZUKISA-N 2 2 366.462 0.002 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001213458519 1223801812 /nfs/dbraw/zinc/80/18/12/1223801812.db2.gz ZXUNGHNFHAOAKZ-KCYZZUKISA-N 2 2 366.462 0.002 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526380 1223809338 /nfs/dbraw/zinc/80/93/38/1223809338.db2.gz KQRDUIFFFUYTFX-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526380 1223809339 /nfs/dbraw/zinc/80/93/39/1223809339.db2.gz KQRDUIFFFUYTFX-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC)C(C)C ZINC001213594497 1223819889 /nfs/dbraw/zinc/81/98/89/1223819889.db2.gz IJVJMPHCKLHSOE-NUJGCVRESA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC)C(C)C ZINC001213594497 1223819892 /nfs/dbraw/zinc/81/98/92/1223819892.db2.gz IJVJMPHCKLHSOE-NUJGCVRESA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213599124 1223820524 /nfs/dbraw/zinc/82/05/24/1223820524.db2.gz TYTQMNXIBUFIGO-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213599124 1223820525 /nfs/dbraw/zinc/82/05/25/1223820525.db2.gz TYTQMNXIBUFIGO-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213597123 1223820752 /nfs/dbraw/zinc/82/07/52/1223820752.db2.gz VPYLXMHKVMYNLV-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001213597123 1223820753 /nfs/dbraw/zinc/82/07/53/1223820753.db2.gz VPYLXMHKVMYNLV-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730442 1223840774 /nfs/dbraw/zinc/84/07/74/1223840774.db2.gz PGCVLPLDIBZWSL-IAGOWNOFSA-N 2 2 366.462 0.446 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730442 1223840777 /nfs/dbraw/zinc/84/07/77/1223840777.db2.gz PGCVLPLDIBZWSL-IAGOWNOFSA-N 2 2 366.462 0.446 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747165 1223843338 /nfs/dbraw/zinc/84/33/38/1223843338.db2.gz FFFUWRQQYHCCRQ-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747165 1223843341 /nfs/dbraw/zinc/84/33/41/1223843341.db2.gz FFFUWRQQYHCCRQ-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754276 1223844196 /nfs/dbraw/zinc/84/41/96/1223844196.db2.gz WSEWGWMQBRCNQS-NVXWUHKLSA-N 2 2 366.510 0.654 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754276 1223844198 /nfs/dbraw/zinc/84/41/98/1223844198.db2.gz WSEWGWMQBRCNQS-NVXWUHKLSA-N 2 2 366.510 0.654 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781302 1223849073 /nfs/dbraw/zinc/84/90/73/1223849073.db2.gz MVTLWPSRNOVDEB-USXIJHARSA-N 2 2 368.478 0.110 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781302 1223849075 /nfs/dbraw/zinc/84/90/75/1223849075.db2.gz MVTLWPSRNOVDEB-USXIJHARSA-N 2 2 368.478 0.110 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801958 1223852374 /nfs/dbraw/zinc/85/23/74/1223852374.db2.gz IBSKKWIPNONXAX-CGTJXYLNSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863269 1223863649 /nfs/dbraw/zinc/86/36/49/1223863649.db2.gz JAWKHBGMZHAOCY-KBAYOESNSA-N 2 2 362.474 0.365 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863269 1223863652 /nfs/dbraw/zinc/86/36/52/1223863652.db2.gz JAWKHBGMZHAOCY-KBAYOESNSA-N 2 2 362.474 0.365 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863119 1223863820 /nfs/dbraw/zinc/86/38/20/1223863820.db2.gz DRTVLRPNXFKQOD-FRFSOERESA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863119 1223863822 /nfs/dbraw/zinc/86/38/22/1223863822.db2.gz DRTVLRPNXFKQOD-FRFSOERESA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863064 1223863826 /nfs/dbraw/zinc/86/38/26/1223863826.db2.gz BLSNEYBMTUQRFX-RCCFBDPRSA-N 2 2 371.522 0.443 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863064 1223863827 /nfs/dbraw/zinc/86/38/27/1223863827.db2.gz BLSNEYBMTUQRFX-RCCFBDPRSA-N 2 2 371.522 0.443 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929935 1223874921 /nfs/dbraw/zinc/87/49/21/1223874921.db2.gz SDRTVTHVZNZQPQ-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929935 1223874923 /nfs/dbraw/zinc/87/49/23/1223874923.db2.gz SDRTVTHVZNZQPQ-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929935 1223874925 /nfs/dbraw/zinc/87/49/25/1223874925.db2.gz SDRTVTHVZNZQPQ-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929935 1223874927 /nfs/dbraw/zinc/87/49/27/1223874927.db2.gz SDRTVTHVZNZQPQ-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974259 1223880131 /nfs/dbraw/zinc/88/01/31/1223880131.db2.gz OWTIABHVSKKEBT-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974259 1223880132 /nfs/dbraw/zinc/88/01/32/1223880132.db2.gz OWTIABHVSKKEBT-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCCn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164135 1248711964 /nfs/dbraw/zinc/71/19/64/1248711964.db2.gz CZKMSOPZRDCZSH-HHARLNAUSA-N 2 2 360.506 0.822 20 0 FCADLP CCCn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164135 1248711971 /nfs/dbraw/zinc/71/19/71/1248711971.db2.gz CZKMSOPZRDCZSH-HHARLNAUSA-N 2 2 360.506 0.822 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164135 1248711980 /nfs/dbraw/zinc/71/19/80/1248711980.db2.gz CZKMSOPZRDCZSH-HHARLNAUSA-N 2 2 360.506 0.822 20 0 FCADLP CCCn1ncnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978164135 1248711987 /nfs/dbraw/zinc/71/19/87/1248711987.db2.gz CZKMSOPZRDCZSH-HHARLNAUSA-N 2 2 360.506 0.822 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214988257 1223962044 /nfs/dbraw/zinc/96/20/44/1223962044.db2.gz RHNXJPGLRMTGPF-CKEIUWERSA-N 2 2 359.474 0.503 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215005629 1223962647 /nfs/dbraw/zinc/96/26/47/1223962647.db2.gz BVDWARQLBMYJCT-HACGYAERSA-N 2 2 361.490 0.786 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215005629 1223962649 /nfs/dbraw/zinc/96/26/49/1223962649.db2.gz BVDWARQLBMYJCT-HACGYAERSA-N 2 2 361.490 0.786 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001215269006 1223986792 /nfs/dbraw/zinc/98/67/92/1223986792.db2.gz HFNIXWSGOGCOFF-HUUCEWRRSA-N 2 2 364.494 0.807 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccn2)C1 ZINC001215446955 1224000123 /nfs/dbraw/zinc/00/01/23/1224000123.db2.gz RTHVPKUZQFBHHI-JEBQAFNWSA-N 2 2 370.457 0.489 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215585473 1224007851 /nfs/dbraw/zinc/00/78/51/1224007851.db2.gz IITUZSSKGAUGQE-DTZQCDIJSA-N 2 2 359.474 0.486 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001215934153 1224025143 /nfs/dbraw/zinc/02/51/43/1224025143.db2.gz FWPOXHNWMDDXJH-SJLPKXTDSA-N 2 2 363.506 0.859 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001215934242 1224025462 /nfs/dbraw/zinc/02/54/62/1224025462.db2.gz KCLUVGDSYZRTIL-GDBMZVCRSA-N 2 2 364.494 0.552 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001216064535 1224032656 /nfs/dbraw/zinc/03/26/56/1224032656.db2.gz BVTBSPQWTAILCC-VXGBXAGGSA-N 2 2 364.450 0.013 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216184949 1224038224 /nfs/dbraw/zinc/03/82/24/1224038224.db2.gz FQYMFBHSMDKIIX-RHSMWYFYSA-N 2 2 370.457 0.844 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802649 1224073482 /nfs/dbraw/zinc/07/34/82/1224073482.db2.gz DKYLGAKCVDMVRG-KYJSFNMBSA-N 2 2 366.506 0.060 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802650 1224073526 /nfs/dbraw/zinc/07/35/26/1224073526.db2.gz DKYLGAKCVDMVRG-QGPMSJSTSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216805233 1224074060 /nfs/dbraw/zinc/07/40/60/1224074060.db2.gz YIRQSKGQZVKUTB-QGPMSJSTSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001216829998 1224076320 /nfs/dbraw/zinc/07/63/20/1224076320.db2.gz HJTGGGCMRNMUPU-HUUCEWRRSA-N 2 2 364.494 0.948 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859371 1224079952 /nfs/dbraw/zinc/07/99/52/1224079952.db2.gz PIHJFYBVKMFAJN-QGPMSJSTSA-N 2 2 361.490 0.647 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C)c1nnnn1C ZINC001216986891 1224083060 /nfs/dbraw/zinc/08/30/60/1224083060.db2.gz CYOPUCPCOIAUSK-HLLBOEOZSA-N 2 2 371.489 0.840 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C)c1nnnn1C ZINC001216986891 1224083063 /nfs/dbraw/zinc/08/30/63/1224083063.db2.gz CYOPUCPCOIAUSK-HLLBOEOZSA-N 2 2 371.489 0.840 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001216987993 1224083552 /nfs/dbraw/zinc/08/35/52/1224083552.db2.gz NOVDLRDLSZNKKU-CRAIPNDOSA-N 2 2 356.474 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001216987993 1224083555 /nfs/dbraw/zinc/08/35/55/1224083555.db2.gz NOVDLRDLSZNKKU-CRAIPNDOSA-N 2 2 356.474 0.884 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cncc(F)c4)C[C@H]32)O1 ZINC000978345520 1248731752 /nfs/dbraw/zinc/73/17/52/1248731752.db2.gz APMLZCKETPXSHR-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cncc(F)c4)C[C@H]32)O1 ZINC000978345520 1248731761 /nfs/dbraw/zinc/73/17/61/1248731761.db2.gz APMLZCKETPXSHR-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cncc(F)c4)C[C@H]32)O1 ZINC000978345520 1248731765 /nfs/dbraw/zinc/73/17/65/1248731765.db2.gz APMLZCKETPXSHR-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cncc(F)c4)C[C@H]32)O1 ZINC000978345520 1248731772 /nfs/dbraw/zinc/73/17/72/1248731772.db2.gz APMLZCKETPXSHR-IDXRPEPOSA-N 2 2 362.449 0.734 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000982299641 1248785463 /nfs/dbraw/zinc/78/54/63/1248785463.db2.gz LEIWIZPWUNXGEJ-CDDAVODSSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000982299641 1248785468 /nfs/dbraw/zinc/78/54/68/1248785468.db2.gz LEIWIZPWUNXGEJ-CDDAVODSSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000982299641 1248785475 /nfs/dbraw/zinc/78/54/75/1248785475.db2.gz LEIWIZPWUNXGEJ-CDDAVODSSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000982299641 1248785479 /nfs/dbraw/zinc/78/54/79/1248785479.db2.gz LEIWIZPWUNXGEJ-CDDAVODSSA-N 2 2 371.485 0.962 20 0 FCADLP C[N@H+](CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985483888 1248935624 /nfs/dbraw/zinc/93/56/24/1248935624.db2.gz IKBMVHHSXJQKMJ-HUUCEWRRSA-N 2 2 360.462 0.461 20 0 FCADLP C[N@@H+](CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985483888 1248935628 /nfs/dbraw/zinc/93/56/28/1248935628.db2.gz IKBMVHHSXJQKMJ-HUUCEWRRSA-N 2 2 360.462 0.461 20 0 FCADLP C[N@H+](CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985483888 1248935632 /nfs/dbraw/zinc/93/56/32/1248935632.db2.gz 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365.478 0.774 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985492942 1248940650 /nfs/dbraw/zinc/94/06/50/1248940650.db2.gz HVVDIKIZDNAFOB-BHYGNILZSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985492942 1248940659 /nfs/dbraw/zinc/94/06/59/1248940659.db2.gz HVVDIKIZDNAFOB-BHYGNILZSA-N 2 2 361.490 0.943 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987975285 1249282345 /nfs/dbraw/zinc/28/23/45/1249282345.db2.gz LRSSUIGBCPAZFB-HYVNUMGLSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987975285 1249282357 /nfs/dbraw/zinc/28/23/57/1249282357.db2.gz LRSSUIGBCPAZFB-HYVNUMGLSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000993434990 1249533667 /nfs/dbraw/zinc/53/36/67/1249533667.db2.gz FADLKWNXMFYWKB-CLCXKQKWSA-N 2 2 359.474 0.743 20 0 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1253353610 /nfs/dbraw/zinc/35/36/10/1253353610.db2.gz IADOWGMRBGCLJE-DTZQCDIJSA-N 2 2 359.474 0.438 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001004523824 1253353615 /nfs/dbraw/zinc/35/36/15/1253353615.db2.gz IADOWGMRBGCLJE-DTZQCDIJSA-N 2 2 359.474 0.438 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001004816278 1253413631 /nfs/dbraw/zinc/41/36/31/1253413631.db2.gz ISXUNWPNMZKVHH-ATLSCFEFSA-N 2 2 371.485 0.851 20 0 FCADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001519641994 1265741416 /nfs/dbraw/zinc/74/14/16/1265741416.db2.gz KZVBKONLWVVUSU-UHFFFAOYSA-N 2 2 354.495 0.953 20 0 FCADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001519641994 1265741422 /nfs/dbraw/zinc/74/14/22/1265741422.db2.gz KZVBKONLWVVUSU-UHFFFAOYSA-N 2 2 354.495 0.953 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC001005361372 1253532119 /nfs/dbraw/zinc/53/21/19/1253532119.db2.gz UOJHZRNHJCYXQJ-PXGUKHNGSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC001005361372 1253532130 /nfs/dbraw/zinc/53/21/30/1253532130.db2.gz UOJHZRNHJCYXQJ-PXGUKHNGSA-N 2 2 359.474 0.931 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001006015866 1253684733 /nfs/dbraw/zinc/68/47/33/1253684733.db2.gz AAZNBVPSLAZGIJ-HZPDHXFCSA-N 2 2 359.474 0.679 20 0 FCADLP CCn1ncc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767233 1253869066 /nfs/dbraw/zinc/86/90/66/1253869066.db2.gz MXMVSUYZSAGDRW-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1ncc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767233 1253869076 /nfs/dbraw/zinc/86/90/76/1253869076.db2.gz MXMVSUYZSAGDRW-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1ncc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767233 1253869081 /nfs/dbraw/zinc/86/90/81/1253869081.db2.gz MXMVSUYZSAGDRW-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCn1ncc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767233 1253869091 /nfs/dbraw/zinc/86/90/91/1253869091.db2.gz MXMVSUYZSAGDRW-HLLBOEOZSA-N 2 2 364.494 0.297 20 0 FCADLP CCc1noc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767366 1253871416 /nfs/dbraw/zinc/87/14/16/1253871416.db2.gz PWWHYVJZBUZXIV-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP CCc1noc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767366 1253871428 /nfs/dbraw/zinc/87/14/28/1253871428.db2.gz PWWHYVJZBUZXIV-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP CCc1noc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767366 1253871434 /nfs/dbraw/zinc/87/14/34/1253871434.db2.gz PWWHYVJZBUZXIV-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP CCc1noc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767366 1253871440 /nfs/dbraw/zinc/87/14/40/1253871440.db2.gz PWWHYVJZBUZXIV-RBSFLKMASA-N 2 2 365.478 0.631 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001033165287 1253948067 /nfs/dbraw/zinc/94/80/67/1253948067.db2.gz MGMWVVFPEDZRBE-BZUAXINKSA-N 2 2 355.442 0.945 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001033165287 1253948098 /nfs/dbraw/zinc/94/80/98/1253948098.db2.gz MGMWVVFPEDZRBE-BZUAXINKSA-N 2 2 355.442 0.945 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1 ZINC001034402411 1253992487 /nfs/dbraw/zinc/99/24/87/1253992487.db2.gz ORRTULLNAGMGLF-ARFHVFGLSA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCn2cncn2)C1 ZINC001034402411 1253992497 /nfs/dbraw/zinc/99/24/97/1253992497.db2.gz ORRTULLNAGMGLF-ARFHVFGLSA-N 2 2 357.462 0.786 20 0 FCADLP C[NH+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001061121267 1254158610 /nfs/dbraw/zinc/15/86/10/1254158610.db2.gz BEPDFYZTKRFRRH-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP C[NH+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001061121267 1254158622 /nfs/dbraw/zinc/15/86/22/1254158622.db2.gz BEPDFYZTKRFRRH-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC001329746035 1265827863 /nfs/dbraw/zinc/82/78/63/1265827863.db2.gz MQYUXOWHTQIROF-MRXNPFEDSA-N 2 2 361.490 0.707 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497017 1254354662 /nfs/dbraw/zinc/35/46/62/1254354662.db2.gz KYKLSKVLZOGIBJ-UKRRQHHQSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001063497017 1254354672 /nfs/dbraw/zinc/35/46/72/1254354672.db2.gz KYKLSKVLZOGIBJ-UKRRQHHQSA-N 2 2 363.462 0.066 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065613855 1254548355 /nfs/dbraw/zinc/54/83/55/1254548355.db2.gz FAVXFFYKMJIUAB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065613855 1254548371 /nfs/dbraw/zinc/54/83/71/1254548371.db2.gz FAVXFFYKMJIUAB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065613855 1254548384 /nfs/dbraw/zinc/54/83/84/1254548384.db2.gz FAVXFFYKMJIUAB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065613855 1254548402 /nfs/dbraw/zinc/54/84/02/1254548402.db2.gz FAVXFFYKMJIUAB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CCOCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001065705234 1254581129 /nfs/dbraw/zinc/58/11/29/1254581129.db2.gz XIJYKPLZWWDEPC-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCOCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001065705234 1254581133 /nfs/dbraw/zinc/58/11/33/1254581133.db2.gz XIJYKPLZWWDEPC-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001075962669 1254657529 /nfs/dbraw/zinc/65/75/29/1254657529.db2.gz PUMISMVSGVNOQO-SOLBZPMBSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075962669 1254657542 /nfs/dbraw/zinc/65/75/42/1254657542.db2.gz PUMISMVSGVNOQO-SOLBZPMBSA-N 2 2 354.458 0.875 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)c1 ZINC001077565747 1254698761 /nfs/dbraw/zinc/69/87/61/1254698761.db2.gz WRPXNSJLNJHCTD-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC001077565747 1254698779 /nfs/dbraw/zinc/69/87/79/1254698779.db2.gz WRPXNSJLNJHCTD-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077565747 1254698799 /nfs/dbraw/zinc/69/87/99/1254698799.db2.gz WRPXNSJLNJHCTD-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)c1 ZINC001077565747 1254698810 /nfs/dbraw/zinc/69/88/10/1254698810.db2.gz WRPXNSJLNJHCTD-QRVBRYPASA-N 2 2 361.486 0.766 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676568 1254856722 /nfs/dbraw/zinc/85/67/22/1254856722.db2.gz ADVSSHCKPADTTI-GDIGMMSISA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676568 1254856736 /nfs/dbraw/zinc/85/67/36/1254856736.db2.gz ADVSSHCKPADTTI-GDIGMMSISA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676568 1254856749 /nfs/dbraw/zinc/85/67/49/1254856749.db2.gz ADVSSHCKPADTTI-GDIGMMSISA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077676568 1254856759 /nfs/dbraw/zinc/85/67/59/1254856759.db2.gz ADVSSHCKPADTTI-GDIGMMSISA-N 2 2 359.470 0.862 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001077679114 1254863461 /nfs/dbraw/zinc/86/34/61/1254863461.db2.gz HSYYWJJZQZRWBC-FVQBIDKESA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001077679114 1254863472 /nfs/dbraw/zinc/86/34/72/1254863472.db2.gz HSYYWJJZQZRWBC-FVQBIDKESA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC001077679114 1254863484 /nfs/dbraw/zinc/86/34/84/1254863484.db2.gz HSYYWJJZQZRWBC-FVQBIDKESA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001077679114 1254863495 /nfs/dbraw/zinc/86/34/95/1254863495.db2.gz HSYYWJJZQZRWBC-FVQBIDKESA-N 2 2 364.490 0.939 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680559 1254866428 /nfs/dbraw/zinc/86/64/28/1254866428.db2.gz NESZQERRCLSVAN-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680559 1254866440 /nfs/dbraw/zinc/86/64/40/1254866440.db2.gz NESZQERRCLSVAN-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680559 1254866452 /nfs/dbraw/zinc/86/64/52/1254866452.db2.gz NESZQERRCLSVAN-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680559 1254866457 /nfs/dbraw/zinc/86/64/57/1254866457.db2.gz NESZQERRCLSVAN-ZTFGCOKTSA-N 2 2 365.449 0.708 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)cn1 ZINC001077680725 1254867578 /nfs/dbraw/zinc/86/75/78/1254867578.db2.gz UOXZYAMCSWOTHH-RKVPGOIHSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)cn1 ZINC001077680725 1254867583 /nfs/dbraw/zinc/86/75/83/1254867583.db2.gz UOXZYAMCSWOTHH-RKVPGOIHSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)cn1 ZINC001077680725 1254867591 /nfs/dbraw/zinc/86/75/91/1254867591.db2.gz UOXZYAMCSWOTHH-RKVPGOIHSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)cn1 ZINC001077680725 1254867597 /nfs/dbraw/zinc/86/75/97/1254867597.db2.gz UOXZYAMCSWOTHH-RKVPGOIHSA-N 2 2 367.469 0.294 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975054 1255138743 /nfs/dbraw/zinc/13/87/43/1255138743.db2.gz DESOJNXIIVTZNW-RTBURBONSA-N 2 2 358.486 0.865 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975054 1255138750 /nfs/dbraw/zinc/13/87/50/1255138750.db2.gz DESOJNXIIVTZNW-RTBURBONSA-N 2 2 358.486 0.865 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)cn1 ZINC001077975466 1255138882 /nfs/dbraw/zinc/13/88/82/1255138882.db2.gz MNMRHWNGMKHIRO-QZTJIDSGSA-N 2 2 361.490 0.203 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)cn1 ZINC001077975466 1255138888 /nfs/dbraw/zinc/13/88/88/1255138888.db2.gz MNMRHWNGMKHIRO-QZTJIDSGSA-N 2 2 361.490 0.203 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992327 1255152028 /nfs/dbraw/zinc/15/20/28/1255152028.db2.gz VFNCQQDCWVJMRH-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992327 1255152031 /nfs/dbraw/zinc/15/20/31/1255152031.db2.gz VFNCQQDCWVJMRH-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992104 1255152439 /nfs/dbraw/zinc/15/24/39/1255152439.db2.gz ITZWIOKFDPMBCS-IAOVAPTHSA-N 2 2 357.414 0.079 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992104 1255152443 /nfs/dbraw/zinc/15/24/43/1255152443.db2.gz ITZWIOKFDPMBCS-IAOVAPTHSA-N 2 2 357.414 0.079 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005830 1255162052 /nfs/dbraw/zinc/16/20/52/1255162052.db2.gz KLHSYFDHXUUHDI-DJIMGWMZSA-N 2 2 363.506 0.641 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005830 1255162058 /nfs/dbraw/zinc/16/20/58/1255162058.db2.gz KLHSYFDHXUUHDI-DJIMGWMZSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005830 1255162060 /nfs/dbraw/zinc/16/20/60/1255162060.db2.gz KLHSYFDHXUUHDI-DJIMGWMZSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)C1 ZINC001078005830 1255162063 /nfs/dbraw/zinc/16/20/63/1255162063.db2.gz KLHSYFDHXUUHDI-DJIMGWMZSA-N 2 2 363.506 0.641 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001078013261 1255169094 /nfs/dbraw/zinc/16/90/94/1255169094.db2.gz YURFPROQAZKCHY-HZPDHXFCSA-N 2 2 360.458 0.237 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001078013261 1255169098 /nfs/dbraw/zinc/16/90/98/1255169098.db2.gz YURFPROQAZKCHY-HZPDHXFCSA-N 2 2 360.458 0.237 20 0 FCADLP COc1ccc(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182452 1255297847 /nfs/dbraw/zinc/29/78/47/1255297847.db2.gz WDAUHKXVEXMIDS-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182452 1255297850 /nfs/dbraw/zinc/29/78/50/1255297850.db2.gz WDAUHKXVEXMIDS-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078182365 1255297934 /nfs/dbraw/zinc/29/79/34/1255297934.db2.gz RBRKICKXCVMIJG-RTBURBONSA-N 2 2 370.453 0.626 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078182365 1255297938 /nfs/dbraw/zinc/29/79/38/1255297938.db2.gz RBRKICKXCVMIJG-RTBURBONSA-N 2 2 370.453 0.626 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001078183437 1255298935 /nfs/dbraw/zinc/29/89/35/1255298935.db2.gz QOICEQFYFNGDCO-HUUCEWRRSA-N 2 2 361.446 0.802 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001078183437 1255298937 /nfs/dbraw/zinc/29/89/37/1255298937.db2.gz QOICEQFYFNGDCO-HUUCEWRRSA-N 2 2 361.446 0.802 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)ncn1 ZINC001078224383 1255334866 /nfs/dbraw/zinc/33/48/66/1255334866.db2.gz GZTDDFWSIOVLRD-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)ncn1 ZINC001078224383 1255334872 /nfs/dbraw/zinc/33/48/72/1255334872.db2.gz GZTDDFWSIOVLRD-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228357 1255341979 /nfs/dbraw/zinc/34/19/79/1255341979.db2.gz NKZQFUUIVFYXRN-OWCLPIDISA-N 2 2 365.478 0.346 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228357 1255341987 /nfs/dbraw/zinc/34/19/87/1255341987.db2.gz NKZQFUUIVFYXRN-OWCLPIDISA-N 2 2 365.478 0.346 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228357 1255341997 /nfs/dbraw/zinc/34/19/97/1255341997.db2.gz NKZQFUUIVFYXRN-OWCLPIDISA-N 2 2 365.478 0.346 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1O ZINC001078228357 1255342005 /nfs/dbraw/zinc/34/20/05/1255342005.db2.gz NKZQFUUIVFYXRN-OWCLPIDISA-N 2 2 365.478 0.346 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078228233 1255342094 /nfs/dbraw/zinc/34/20/94/1255342094.db2.gz IQURATSFSNGYFU-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078228233 1255342102 /nfs/dbraw/zinc/34/21/02/1255342102.db2.gz IQURATSFSNGYFU-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228637 1255342888 /nfs/dbraw/zinc/34/28/88/1255342888.db2.gz YRYMCGZVCAHGTI-GUDVDZBRSA-N 2 2 361.486 0.715 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228637 1255342896 /nfs/dbraw/zinc/34/28/96/1255342896.db2.gz YRYMCGZVCAHGTI-GUDVDZBRSA-N 2 2 361.486 0.715 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228637 1255342904 /nfs/dbraw/zinc/34/29/04/1255342904.db2.gz YRYMCGZVCAHGTI-GUDVDZBRSA-N 2 2 361.486 0.715 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228637 1255342911 /nfs/dbraw/zinc/34/29/11/1255342911.db2.gz YRYMCGZVCAHGTI-GUDVDZBRSA-N 2 2 361.486 0.715 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001078270295 1255374335 /nfs/dbraw/zinc/37/43/35/1255374335.db2.gz MYCLHHUZWBMRNW-IAGOWNOFSA-N 2 2 351.410 0.793 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001078270295 1255374345 /nfs/dbraw/zinc/37/43/45/1255374345.db2.gz MYCLHHUZWBMRNW-IAGOWNOFSA-N 2 2 351.410 0.793 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078272074 1255376777 /nfs/dbraw/zinc/37/67/77/1255376777.db2.gz GDQWBHJFHXMYRA-QZTJIDSGSA-N 2 2 356.426 0.317 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001078272074 1255376786 /nfs/dbraw/zinc/37/67/86/1255376786.db2.gz GDQWBHJFHXMYRA-QZTJIDSGSA-N 2 2 356.426 0.317 20 0 FCADLP COCC[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239140 1255482867 /nfs/dbraw/zinc/48/28/67/1255482867.db2.gz FFIZAQUTAWHNML-JKSUJKDBSA-N 2 2 362.474 0.928 20 0 FCADLP COCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244714 1255484991 /nfs/dbraw/zinc/48/49/91/1255484991.db2.gz BDXSYJKBNVFEBT-DLBZAZTESA-N 2 2 362.474 0.928 20 0 FCADLP COCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244714 1255484993 /nfs/dbraw/zinc/48/49/93/1255484993.db2.gz BDXSYJKBNVFEBT-DLBZAZTESA-N 2 2 362.474 0.928 20 0 FCADLP COC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263214 1255494076 /nfs/dbraw/zinc/49/40/76/1255494076.db2.gz NZIIWZFDIAGENQ-HYVNUMGLSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962575 1255683643 /nfs/dbraw/zinc/68/36/43/1255683643.db2.gz QXSUKOOSIIQEKE-MLGOLLRUSA-N 2 2 356.430 0.638 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962575 1255683646 /nfs/dbraw/zinc/68/36/46/1255683646.db2.gz QXSUKOOSIIQEKE-MLGOLLRUSA-N 2 2 356.430 0.638 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001079990351 1255694911 /nfs/dbraw/zinc/69/49/11/1255694911.db2.gz DHGUEVBFSSAEQK-XOKHGSTOSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001079990351 1255694917 /nfs/dbraw/zinc/69/49/17/1255694917.db2.gz DHGUEVBFSSAEQK-XOKHGSTOSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991594 1255696994 /nfs/dbraw/zinc/69/69/94/1255696994.db2.gz MXUYWOHYMXUFMB-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991594 1255697001 /nfs/dbraw/zinc/69/70/01/1255697001.db2.gz MXUYWOHYMXUFMB-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001079993656 1255697694 /nfs/dbraw/zinc/69/76/94/1255697694.db2.gz VAHYJFPORUTPJF-SUYBPPKGSA-N 2 2 357.462 0.551 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)C2 ZINC001079993656 1255697697 /nfs/dbraw/zinc/69/76/97/1255697697.db2.gz VAHYJFPORUTPJF-SUYBPPKGSA-N 2 2 357.462 0.551 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001079993656 1255697699 /nfs/dbraw/zinc/69/76/99/1255697699.db2.gz VAHYJFPORUTPJF-SUYBPPKGSA-N 2 2 357.462 0.551 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](CCn3cncn3)C[C@H]1C)CC2 ZINC001079993656 1255697702 /nfs/dbraw/zinc/69/77/02/1255697702.db2.gz VAHYJFPORUTPJF-SUYBPPKGSA-N 2 2 357.462 0.551 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010859 1255704620 /nfs/dbraw/zinc/70/46/20/1255704620.db2.gz PKTJTYPQSYIYKM-CZUORRHYSA-N 2 2 363.462 0.409 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010859 1255704624 /nfs/dbraw/zinc/70/46/24/1255704624.db2.gz PKTJTYPQSYIYKM-CZUORRHYSA-N 2 2 363.462 0.409 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144628 1255758897 /nfs/dbraw/zinc/75/88/97/1255758897.db2.gz JSBWHMSSDDWYNF-UNEWFSDZSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001080144628 1255758901 /nfs/dbraw/zinc/75/89/01/1255758901.db2.gz JSBWHMSSDDWYNF-UNEWFSDZSA-N 2 2 359.474 0.477 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310819 1255835418 /nfs/dbraw/zinc/83/54/18/1255835418.db2.gz GDEZGMRRCZVMLM-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310819 1255835431 /nfs/dbraw/zinc/83/54/31/1255835431.db2.gz GDEZGMRRCZVMLM-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310819 1255835440 /nfs/dbraw/zinc/83/54/40/1255835440.db2.gz GDEZGMRRCZVMLM-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001080310819 1255835453 /nfs/dbraw/zinc/83/54/53/1255835453.db2.gz GDEZGMRRCZVMLM-RBSFLKMASA-N 2 2 364.494 0.167 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)nn1C ZINC001080324869 1255841390 /nfs/dbraw/zinc/84/13/90/1255841390.db2.gz HHUHOIWZOSPHFP-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)nn1C ZINC001080324869 1255841401 /nfs/dbraw/zinc/84/14/01/1255841401.db2.gz HHUHOIWZOSPHFP-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)nn1C ZINC001080324869 1255841414 /nfs/dbraw/zinc/84/14/14/1255841414.db2.gz HHUHOIWZOSPHFP-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)nn1C ZINC001080324869 1255841428 /nfs/dbraw/zinc/84/14/28/1255841428.db2.gz HHUHOIWZOSPHFP-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)cn1 ZINC001080324894 1255841489 /nfs/dbraw/zinc/84/14/89/1255841489.db2.gz ITAKBUBTGKXWKT-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)cn1 ZINC001080324894 1255841503 /nfs/dbraw/zinc/84/15/03/1255841503.db2.gz ITAKBUBTGKXWKT-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324894 1255841516 /nfs/dbraw/zinc/84/15/16/1255841516.db2.gz ITAKBUBTGKXWKT-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324894 1255841528 /nfs/dbraw/zinc/84/15/28/1255841528.db2.gz ITAKBUBTGKXWKT-ZTFGCOKTSA-N 2 2 361.490 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001080420984 1255877685 /nfs/dbraw/zinc/87/76/85/1255877685.db2.gz NIGMIEQUBRDSDO-IIAWOOMASA-N 2 2 359.474 0.889 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001080420984 1255877687 /nfs/dbraw/zinc/87/76/87/1255877687.db2.gz NIGMIEQUBRDSDO-IIAWOOMASA-N 2 2 359.474 0.889 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001080454222 1255897162 /nfs/dbraw/zinc/89/71/62/1255897162.db2.gz BFMTYFOCBQYPCH-DAXOMENPSA-N 2 2 361.446 0.209 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001080454222 1255897181 /nfs/dbraw/zinc/89/71/81/1255897181.db2.gz BFMTYFOCBQYPCH-DAXOMENPSA-N 2 2 361.446 0.209 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679692 1255982991 /nfs/dbraw/zinc/98/29/91/1255982991.db2.gz RKZJBEKKBJSRFR-DVOMOZLQSA-N 2 2 356.430 0.452 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679692 1255982996 /nfs/dbraw/zinc/98/29/96/1255982996.db2.gz RKZJBEKKBJSRFR-DVOMOZLQSA-N 2 2 356.430 0.452 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783122 1256035935 /nfs/dbraw/zinc/03/59/35/1256035935.db2.gz LMVQQJJERSCNOH-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783122 1256035943 /nfs/dbraw/zinc/03/59/43/1256035943.db2.gz LMVQQJJERSCNOH-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783160 1256036720 /nfs/dbraw/zinc/03/67/20/1256036720.db2.gz MQIRLYFHGGLGFS-JKIFEVAISA-N 2 2 361.490 0.846 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783160 1256036727 /nfs/dbraw/zinc/03/67/27/1256036727.db2.gz MQIRLYFHGGLGFS-JKIFEVAISA-N 2 2 361.490 0.846 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1)C(N)=O ZINC001081213648 1256207994 /nfs/dbraw/zinc/20/79/94/1256207994.db2.gz IQISNYQMTIGUQX-XOKHGSTOSA-N 2 2 355.442 0.421 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081234207 1256214450 /nfs/dbraw/zinc/21/44/50/1256214450.db2.gz ZMXYENPUAVWLJR-YESZJQIVSA-N 2 2 353.426 0.356 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1)C(N)=O ZINC001081233752 1256214732 /nfs/dbraw/zinc/21/47/32/1256214732.db2.gz KUSDJLCPIJOYSE-GVDBMIGSSA-N 2 2 355.442 0.731 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081676053 1256331601 /nfs/dbraw/zinc/33/16/01/1256331601.db2.gz RVBAZIANIHONKA-CGTJXYLNSA-N 2 2 362.474 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081676053 1256331603 /nfs/dbraw/zinc/33/16/03/1256331603.db2.gz RVBAZIANIHONKA-CGTJXYLNSA-N 2 2 362.474 0.894 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081842910 1256407230 /nfs/dbraw/zinc/40/72/30/1256407230.db2.gz GQJLJYPPMFSFTR-IAGOWNOFSA-N 2 2 361.490 0.612 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081842910 1256407234 /nfs/dbraw/zinc/40/72/34/1256407234.db2.gz GQJLJYPPMFSFTR-IAGOWNOFSA-N 2 2 361.490 0.612 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848222 1256409765 /nfs/dbraw/zinc/40/97/65/1256409765.db2.gz SGYISYJTNKPOKI-GAEVZRCVSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848222 1256409768 /nfs/dbraw/zinc/40/97/68/1256409768.db2.gz SGYISYJTNKPOKI-GAEVZRCVSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848222 1256409772 /nfs/dbraw/zinc/40/97/72/1256409772.db2.gz SGYISYJTNKPOKI-GAEVZRCVSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848222 1256409775 /nfs/dbraw/zinc/40/97/75/1256409775.db2.gz SGYISYJTNKPOKI-GAEVZRCVSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856745 1256414353 /nfs/dbraw/zinc/41/43/53/1256414353.db2.gz JIIFFNFSUZAUAR-IXDOHACOSA-N 2 2 362.474 0.185 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081856745 1256414355 /nfs/dbraw/zinc/41/43/55/1256414355.db2.gz JIIFFNFSUZAUAR-IXDOHACOSA-N 2 2 362.474 0.185 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081856745 1256414357 /nfs/dbraw/zinc/41/43/57/1256414357.db2.gz JIIFFNFSUZAUAR-IXDOHACOSA-N 2 2 362.474 0.185 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081856745 1256414359 /nfs/dbraw/zinc/41/43/59/1256414359.db2.gz JIIFFNFSUZAUAR-IXDOHACOSA-N 2 2 362.474 0.185 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880175 1256427567 /nfs/dbraw/zinc/42/75/67/1256427567.db2.gz OCUTYXMFTHNJBZ-IXDOHACOSA-N 2 2 371.441 0.302 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880175 1256427568 /nfs/dbraw/zinc/42/75/68/1256427568.db2.gz OCUTYXMFTHNJBZ-IXDOHACOSA-N 2 2 371.441 0.302 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081895082 1256438845 /nfs/dbraw/zinc/43/88/45/1256438845.db2.gz RDSCIVBAEPZZAS-IAGOWNOFSA-N 2 2 361.490 0.672 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081895082 1256438848 /nfs/dbraw/zinc/43/88/48/1256438848.db2.gz RDSCIVBAEPZZAS-IAGOWNOFSA-N 2 2 361.490 0.672 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899732 1256443101 /nfs/dbraw/zinc/44/31/01/1256443101.db2.gz GZQYIHNQRJETSD-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899732 1256443103 /nfs/dbraw/zinc/44/31/03/1256443103.db2.gz GZQYIHNQRJETSD-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899678 1256443517 /nfs/dbraw/zinc/44/35/17/1256443517.db2.gz DLMJADXBMWUSRA-DAXOMENPSA-N 2 2 359.430 0.240 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081899678 1256443518 /nfs/dbraw/zinc/44/35/18/1256443518.db2.gz DLMJADXBMWUSRA-DAXOMENPSA-N 2 2 359.430 0.240 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949647 1256469426 /nfs/dbraw/zinc/46/94/26/1256469426.db2.gz ZWQIZWIEBBADSO-BZUAXINKSA-N 2 2 363.462 0.016 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949647 1256469428 /nfs/dbraw/zinc/46/94/28/1256469428.db2.gz ZWQIZWIEBBADSO-BZUAXINKSA-N 2 2 363.462 0.016 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082094965 1256532906 /nfs/dbraw/zinc/53/29/06/1256532906.db2.gz LTUHHPDNIYHQGA-NVXWUHKLSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082094965 1256532912 /nfs/dbraw/zinc/53/29/12/1256532912.db2.gz LTUHHPDNIYHQGA-NVXWUHKLSA-N 2 2 364.494 0.264 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201307 1256587865 /nfs/dbraw/zinc/58/78/65/1256587865.db2.gz WBZSTJHWGJGGSV-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082201307 1256587871 /nfs/dbraw/zinc/58/78/71/1256587871.db2.gz WBZSTJHWGJGGSV-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291398 1256635995 /nfs/dbraw/zinc/63/59/95/1256635995.db2.gz PWHJXSMNUVDEPR-BRWVUGGUSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291398 1256636002 /nfs/dbraw/zinc/63/60/02/1256636002.db2.gz PWHJXSMNUVDEPR-BRWVUGGUSA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001082323256 1256660974 /nfs/dbraw/zinc/66/09/74/1256660974.db2.gz LRQLXNPJFBTGNI-ZTFGCOKTSA-N 2 2 371.441 0.733 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001082323256 1256660979 /nfs/dbraw/zinc/66/09/79/1256660979.db2.gz LRQLXNPJFBTGNI-ZTFGCOKTSA-N 2 2 371.441 0.733 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326726 1256667523 /nfs/dbraw/zinc/66/75/23/1256667523.db2.gz OSVZQRUSBUZCED-BRWVUGGUSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326726 1256667527 /nfs/dbraw/zinc/66/75/27/1256667527.db2.gz OSVZQRUSBUZCED-BRWVUGGUSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326726 1256667538 /nfs/dbraw/zinc/66/75/38/1256667538.db2.gz OSVZQRUSBUZCED-BRWVUGGUSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)ccn1 ZINC001082326726 1256667545 /nfs/dbraw/zinc/66/75/45/1256667545.db2.gz OSVZQRUSBUZCED-BRWVUGGUSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)c1 ZINC001082328225 1256669310 /nfs/dbraw/zinc/66/93/10/1256669310.db2.gz JKMBPSJHARHOJS-IAGOWNOFSA-N 2 2 360.458 0.501 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)c1 ZINC001082328225 1256669315 /nfs/dbraw/zinc/66/93/15/1256669315.db2.gz JKMBPSJHARHOJS-IAGOWNOFSA-N 2 2 360.458 0.501 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982036 1266055974 /nfs/dbraw/zinc/05/59/74/1266055974.db2.gz PMBMAPSILCINSI-MISYRCLQSA-N 2 2 372.513 0.434 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982036 1266055984 /nfs/dbraw/zinc/05/59/84/1266055984.db2.gz PMBMAPSILCINSI-MISYRCLQSA-N 2 2 372.513 0.434 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001520986449 1266057239 /nfs/dbraw/zinc/05/72/39/1266057239.db2.gz HAZBJQGHRUQCMQ-LLVKDONJSA-N 2 2 351.476 0.678 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001520986449 1266057254 /nfs/dbraw/zinc/05/72/54/1266057254.db2.gz HAZBJQGHRUQCMQ-LLVKDONJSA-N 2 2 351.476 0.678 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082368505 1256716835 /nfs/dbraw/zinc/71/68/35/1256716835.db2.gz FFILPMFPKOKDHO-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082368505 1256716841 /nfs/dbraw/zinc/71/68/41/1256716841.db2.gz FFILPMFPKOKDHO-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)n1 ZINC001082368505 1256716849 /nfs/dbraw/zinc/71/68/49/1256716849.db2.gz FFILPMFPKOKDHO-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)n1 ZINC001082368505 1256716853 /nfs/dbraw/zinc/71/68/53/1256716853.db2.gz FFILPMFPKOKDHO-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379115 1256729983 /nfs/dbraw/zinc/72/99/83/1256729983.db2.gz JXNIFCYRDKBMFM-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379115 1256729986 /nfs/dbraw/zinc/72/99/86/1256729986.db2.gz JXNIFCYRDKBMFM-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379115 1256729991 /nfs/dbraw/zinc/72/99/91/1256729991.db2.gz JXNIFCYRDKBMFM-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379115 1256729995 /nfs/dbraw/zinc/72/99/95/1256729995.db2.gz JXNIFCYRDKBMFM-KURKYZTESA-N 2 2 362.474 0.426 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382367 1256733561 /nfs/dbraw/zinc/73/35/61/1256733561.db2.gz AOHAUNLDTJDQAI-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382367 1256733564 /nfs/dbraw/zinc/73/35/64/1256733564.db2.gz AOHAUNLDTJDQAI-IXDOHACOSA-N 2 2 362.474 0.441 20 0 FCADLP COc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c(C)n1 ZINC001082458475 1256771267 /nfs/dbraw/zinc/77/12/67/1256771267.db2.gz QJFRCLSLPZNXGY-WQVCFCJDSA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c(C)n1 ZINC001082458475 1256771270 /nfs/dbraw/zinc/77/12/70/1256771270.db2.gz QJFRCLSLPZNXGY-WQVCFCJDSA-N 2 2 363.462 0.061 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082525464 1256809096 /nfs/dbraw/zinc/80/90/96/1256809096.db2.gz RTQKBCMEEHZKDQ-CZUORRHYSA-N 2 2 357.462 0.527 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558428 1256858376 /nfs/dbraw/zinc/85/83/76/1256858376.db2.gz PRFCYEHTTBAYNW-DAXOMENPSA-N 2 2 361.450 0.141 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)c[nH+]1 ZINC001082588683 1256902901 /nfs/dbraw/zinc/90/29/01/1256902901.db2.gz JUWOCWHJTIRAOI-VNQPRFMTSA-N 2 2 361.490 0.984 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590168 1256903753 /nfs/dbraw/zinc/90/37/53/1256903753.db2.gz GPPWTLAMWSSXSC-BQGCOEIASA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001082590168 1256903761 /nfs/dbraw/zinc/90/37/61/1256903761.db2.gz GPPWTLAMWSSXSC-BQGCOEIASA-N 2 2 364.494 0.262 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001082590513 1256904147 /nfs/dbraw/zinc/90/41/47/1256904147.db2.gz AEHFPZNMKHHZDH-VNQPRFMTSA-N 2 2 370.457 0.848 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082592675 1256905000 /nfs/dbraw/zinc/90/50/00/1256905000.db2.gz RMOHZQNJLARUGY-UKRRQHHQSA-N 2 2 364.494 0.408 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C)c1nnnn1C ZINC001082594804 1256908744 /nfs/dbraw/zinc/90/87/44/1256908744.db2.gz LQEBJFPNSGJUBE-JRPNMDOOSA-N 2 2 354.418 0.898 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001082601504 1256912352 /nfs/dbraw/zinc/91/23/52/1256912352.db2.gz GRMVZACLDLYFRD-CKEIUWERSA-N 2 2 370.457 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082601473 1256912589 /nfs/dbraw/zinc/91/25/89/1256912589.db2.gz DIWRUQZWHPTCEG-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082604330 1256915244 /nfs/dbraw/zinc/91/52/44/1256915244.db2.gz LPZJUIJPQXEOPI-IJEWVQPXSA-N 2 2 357.462 0.694 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)[nH]1 ZINC001082608835 1256919773 /nfs/dbraw/zinc/91/97/73/1256919773.db2.gz BKDBETGPKKUUKH-UEKVPHQBSA-N 2 2 361.450 0.974 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001082646387 1256952165 /nfs/dbraw/zinc/95/21/65/1256952165.db2.gz QVJSIGJEMRVUAL-TZMCWYRMSA-N 2 2 362.434 0.400 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082658531 1256961599 /nfs/dbraw/zinc/96/15/99/1256961599.db2.gz IYSXINWDRCQPOW-QLFBSQMISA-N 2 2 357.462 0.568 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001082658608 1256961637 /nfs/dbraw/zinc/96/16/37/1256961637.db2.gz NFVFSQVRKKDURF-OWCLPIDISA-N 2 2 361.490 0.706 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001082663887 1256966203 /nfs/dbraw/zinc/96/62/03/1256966203.db2.gz KFVLCJJXYGPGSH-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001082663887 1256966208 /nfs/dbraw/zinc/96/62/08/1256966208.db2.gz KFVLCJJXYGPGSH-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082732686 1257014344 /nfs/dbraw/zinc/01/43/44/1257014344.db2.gz QXRQFAVUDNTDML-IJEWVQPXSA-N 2 2 359.474 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082767070 1257040785 /nfs/dbraw/zinc/04/07/85/1257040785.db2.gz RPZKGVNHQPSPRS-TZMCWYRMSA-N 2 2 360.466 0.373 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001082807796 1257066964 /nfs/dbraw/zinc/06/69/64/1257066964.db2.gz DIPZBULMWJIEDU-ZIAGYGMSSA-N 2 2 371.432 0.937 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C[C@@H](C)O1 ZINC001521125023 1266087276 /nfs/dbraw/zinc/08/72/76/1266087276.db2.gz AAJZQQMWAPXJFA-HZPDHXFCSA-N 2 2 370.494 0.234 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C[C@@H](C)O1 ZINC001521125023 1266087280 /nfs/dbraw/zinc/08/72/80/1266087280.db2.gz AAJZQQMWAPXJFA-HZPDHXFCSA-N 2 2 370.494 0.234 20 0 FCADLP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c1 ZINC001082823980 1257080601 /nfs/dbraw/zinc/08/06/01/1257080601.db2.gz BGACTWHZHMQPOU-CZUORRHYSA-N 2 2 355.442 0.949 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(N)=O ZINC001082838637 1257093810 /nfs/dbraw/zinc/09/38/10/1257093810.db2.gz GGZVCDASWWJOHJ-XNRPHZJLSA-N 2 2 356.430 0.581 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923432 1257146309 /nfs/dbraw/zinc/14/63/09/1257146309.db2.gz JZZLSQDDKQVUBQ-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923498 1257148449 /nfs/dbraw/zinc/14/84/49/1257148449.db2.gz MCKPJLAEFLORTB-BFYDXBDKSA-N 2 2 361.490 0.690 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001082935029 1257156068 /nfs/dbraw/zinc/15/60/68/1257156068.db2.gz HEDDGPKMJRRUAN-MCIONIFRSA-N 2 2 371.432 0.935 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nccn3C(F)F)C2)C1 ZINC001082935029 1257156071 /nfs/dbraw/zinc/15/60/71/1257156071.db2.gz HEDDGPKMJRRUAN-MCIONIFRSA-N 2 2 371.432 0.935 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)C1 ZINC001082934723 1257156187 /nfs/dbraw/zinc/15/61/87/1257156187.db2.gz WJNMPPVHKUZXPE-BMFZPTHFSA-N 2 2 363.462 0.142 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncc(OC)n3)C2)C1 ZINC001082934723 1257156188 /nfs/dbraw/zinc/15/61/88/1257156188.db2.gz WJNMPPVHKUZXPE-BMFZPTHFSA-N 2 2 363.462 0.142 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001082946818 1257162932 /nfs/dbraw/zinc/16/29/32/1257162932.db2.gz SEXMRJZHNUVKNN-ZTFGCOKTSA-N 2 2 371.489 0.932 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024313 1257214771 /nfs/dbraw/zinc/21/47/71/1257214771.db2.gz KCNAMQPBGINAPG-OKZBNKHCSA-N 2 2 371.441 0.729 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024313 1257214777 /nfs/dbraw/zinc/21/47/77/1257214777.db2.gz KCNAMQPBGINAPG-OKZBNKHCSA-N 2 2 371.441 0.729 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024313 1257214778 /nfs/dbraw/zinc/21/47/78/1257214778.db2.gz KCNAMQPBGINAPG-OKZBNKHCSA-N 2 2 371.441 0.729 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]21 ZINC001083024313 1257214781 /nfs/dbraw/zinc/21/47/81/1257214781.db2.gz KCNAMQPBGINAPG-OKZBNKHCSA-N 2 2 371.441 0.729 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)cc1=O ZINC001083065682 1257260056 /nfs/dbraw/zinc/26/00/56/1257260056.db2.gz NVCJKJFSKZUXPU-JKSUJKDBSA-N 2 2 371.441 0.153 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)cc1=O ZINC001083065682 1257260060 /nfs/dbraw/zinc/26/00/60/1257260060.db2.gz NVCJKJFSKZUXPU-JKSUJKDBSA-N 2 2 371.441 0.153 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001330830877 1266105434 /nfs/dbraw/zinc/10/54/34/1266105434.db2.gz HFKPOKUMNWXRPB-IRXDYDNUSA-N 2 2 358.486 0.960 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001521342601 1266113274 /nfs/dbraw/zinc/11/32/74/1266113274.db2.gz LZIQEQRDFLEKEV-KSZLIROESA-N 2 2 369.554 0.763 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001521342601 1266113277 /nfs/dbraw/zinc/11/32/77/1266113277.db2.gz LZIQEQRDFLEKEV-KSZLIROESA-N 2 2 369.554 0.763 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)c1ccccc1 ZINC001083645231 1257463265 /nfs/dbraw/zinc/46/32/65/1257463265.db2.gz QSJNUBFPLLNZFV-FGTMMUONSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)c1ccccc1 ZINC001083645231 1257463269 /nfs/dbraw/zinc/46/32/69/1257463269.db2.gz QSJNUBFPLLNZFV-FGTMMUONSA-N 2 2 358.442 0.741 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781577 1257526373 /nfs/dbraw/zinc/52/63/73/1257526373.db2.gz NESZQERRCLSVAN-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781577 1257526378 /nfs/dbraw/zinc/52/63/78/1257526378.db2.gz NESZQERRCLSVAN-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781577 1257526380 /nfs/dbraw/zinc/52/63/80/1257526380.db2.gz NESZQERRCLSVAN-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083781577 1257526384 /nfs/dbraw/zinc/52/63/84/1257526384.db2.gz NESZQERRCLSVAN-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782609 1257528688 /nfs/dbraw/zinc/52/86/88/1257528688.db2.gz CSDLAOGTFURIQA-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782609 1257528695 /nfs/dbraw/zinc/52/86/95/1257528695.db2.gz CSDLAOGTFURIQA-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782609 1257528700 /nfs/dbraw/zinc/52/87/00/1257528700.db2.gz CSDLAOGTFURIQA-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782609 1257528703 /nfs/dbraw/zinc/52/87/03/1257528703.db2.gz CSDLAOGTFURIQA-CVEARBPZSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782765 1257529346 /nfs/dbraw/zinc/52/93/46/1257529346.db2.gz KPJMHHIAAPYQOJ-CABCVRRESA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782765 1257529350 /nfs/dbraw/zinc/52/93/50/1257529350.db2.gz KPJMHHIAAPYQOJ-CABCVRRESA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782765 1257529356 /nfs/dbraw/zinc/52/93/56/1257529356.db2.gz KPJMHHIAAPYQOJ-CABCVRRESA-N 2 2 364.490 0.939 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)o1 ZINC001083782765 1257529358 /nfs/dbraw/zinc/52/93/58/1257529358.db2.gz KPJMHHIAAPYQOJ-CABCVRRESA-N 2 2 364.490 0.939 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832291 1257585625 /nfs/dbraw/zinc/58/56/25/1257585625.db2.gz AHHYFIOSEAJJFQ-KURKYZTESA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832291 1257585630 /nfs/dbraw/zinc/58/56/30/1257585630.db2.gz AHHYFIOSEAJJFQ-KURKYZTESA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832291 1257585633 /nfs/dbraw/zinc/58/56/33/1257585633.db2.gz AHHYFIOSEAJJFQ-KURKYZTESA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832291 1257585637 /nfs/dbraw/zinc/58/56/37/1257585637.db2.gz AHHYFIOSEAJJFQ-KURKYZTESA-N 2 2 363.506 0.653 20 0 FCADLP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001521482240 1266126464 /nfs/dbraw/zinc/12/64/64/1266126464.db2.gz JCYXCRHBTRFZCH-QUCCMNQESA-N 2 2 361.486 0.551 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001330988994 1266127484 /nfs/dbraw/zinc/12/74/84/1266127484.db2.gz KXMURVOUZQSMIA-KRWDZBQOSA-N 2 2 357.458 0.341 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001330988994 1266127485 /nfs/dbraw/zinc/12/74/85/1266127485.db2.gz KXMURVOUZQSMIA-KRWDZBQOSA-N 2 2 357.458 0.341 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887649 1257659333 /nfs/dbraw/zinc/65/93/33/1257659333.db2.gz DFTHIVIPNBNCGM-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887649 1257659339 /nfs/dbraw/zinc/65/93/39/1257659339.db2.gz DFTHIVIPNBNCGM-SJORKVTESA-N 2 2 364.490 0.939 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915480 1257698097 /nfs/dbraw/zinc/69/80/97/1257698097.db2.gz TVENRFGRALBEJA-MSOLQXFVSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915480 1257698100 /nfs/dbraw/zinc/69/81/00/1257698100.db2.gz TVENRFGRALBEJA-MSOLQXFVSA-N 2 2 371.441 0.469 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937184 1257722573 /nfs/dbraw/zinc/72/25/73/1257722573.db2.gz PYHIWERTYROEDL-SJORKVTESA-N 2 2 362.474 0.766 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937184 1257722577 /nfs/dbraw/zinc/72/25/77/1257722577.db2.gz PYHIWERTYROEDL-SJORKVTESA-N 2 2 362.474 0.766 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946347 1257732191 /nfs/dbraw/zinc/73/21/91/1257732191.db2.gz GZRTVLSBZCMQNY-NXHRZFHOSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946347 1257732197 /nfs/dbraw/zinc/73/21/97/1257732197.db2.gz GZRTVLSBZCMQNY-NXHRZFHOSA-N 2 2 371.441 0.611 20 0 FCADLP CCc1ccccc1CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954032 1257742568 /nfs/dbraw/zinc/74/25/68/1257742568.db2.gz HUTLXVHSEJHYFR-MOPGFXCFSA-N 2 2 356.470 0.929 20 0 FCADLP CCc1ccccc1CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954032 1257742573 /nfs/dbraw/zinc/74/25/73/1257742573.db2.gz HUTLXVHSEJHYFR-MOPGFXCFSA-N 2 2 356.470 0.929 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083962058 1257752902 /nfs/dbraw/zinc/75/29/02/1257752902.db2.gz UCKBWZRDSFXFDE-MJGOQNOKSA-N 2 2 370.453 0.615 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O ZINC001083962058 1257752909 /nfs/dbraw/zinc/75/29/09/1257752909.db2.gz UCKBWZRDSFXFDE-MJGOQNOKSA-N 2 2 370.453 0.615 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078017 1257904833 /nfs/dbraw/zinc/90/48/33/1257904833.db2.gz KABYIWWZDYQLMC-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078017 1257904840 /nfs/dbraw/zinc/90/48/40/1257904840.db2.gz KABYIWWZDYQLMC-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078017 1257904847 /nfs/dbraw/zinc/90/48/47/1257904847.db2.gz KABYIWWZDYQLMC-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@H]2O)C1 ZINC001084078017 1257904851 /nfs/dbraw/zinc/90/48/51/1257904851.db2.gz KABYIWWZDYQLMC-CEXWTWQISA-N 2 2 361.486 0.685 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)c3ccccc3C[NH+](C)C)[C@@H](O)C2)cn1 ZINC001084090700 1257914531 /nfs/dbraw/zinc/91/45/31/1257914531.db2.gz CXHPGVAIPBMRFE-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccccc3C[NH+](C)C)[C@@H](O)C2)cn1 ZINC001084090700 1257914535 /nfs/dbraw/zinc/91/45/35/1257914535.db2.gz CXHPGVAIPBMRFE-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090796 1257914747 /nfs/dbraw/zinc/91/47/47/1257914747.db2.gz JGQNBEDWTUAZIG-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084116565 1257935164 /nfs/dbraw/zinc/93/51/64/1257935164.db2.gz WZNQBWSQWWLVNX-SQNIBIBYSA-N 2 2 358.442 0.340 20 0 FCADLP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)cc1 ZINC001084116565 1257935169 /nfs/dbraw/zinc/93/51/69/1257935169.db2.gz WZNQBWSQWWLVNX-SQNIBIBYSA-N 2 2 358.442 0.340 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)c(C)n1 ZINC001084232146 1257978708 /nfs/dbraw/zinc/97/87/08/1257978708.db2.gz VAKQUORAGUBLAW-HYVNUMGLSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)c(C)n1 ZINC001084232146 1257978715 /nfs/dbraw/zinc/97/87/15/1257978715.db2.gz VAKQUORAGUBLAW-HYVNUMGLSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)c(C)n1 ZINC001084232146 1257978726 /nfs/dbraw/zinc/97/87/26/1257978726.db2.gz VAKQUORAGUBLAW-HYVNUMGLSA-N 2 2 359.474 0.921 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)c(C)n1 ZINC001084232146 1257978733 /nfs/dbraw/zinc/97/87/33/1257978733.db2.gz VAKQUORAGUBLAW-HYVNUMGLSA-N 2 2 359.474 0.921 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403372 1258081881 /nfs/dbraw/zinc/08/18/81/1258081881.db2.gz RDIHSHRDEYSWDL-SOLBZPMBSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403372 1258081889 /nfs/dbraw/zinc/08/18/89/1258081889.db2.gz RDIHSHRDEYSWDL-SOLBZPMBSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403372 1258081897 /nfs/dbraw/zinc/08/18/97/1258081897.db2.gz RDIHSHRDEYSWDL-SOLBZPMBSA-N 2 2 360.506 0.826 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084403372 1258081902 /nfs/dbraw/zinc/08/19/02/1258081902.db2.gz RDIHSHRDEYSWDL-SOLBZPMBSA-N 2 2 360.506 0.826 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC001521666286 1266160340 /nfs/dbraw/zinc/16/03/40/1266160340.db2.gz JDQCYUWOMZRODR-UHFFFAOYSA-N 2 2 350.463 0.154 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC001521666286 1266160344 /nfs/dbraw/zinc/16/03/44/1266160344.db2.gz JDQCYUWOMZRODR-UHFFFAOYSA-N 2 2 350.463 0.154 20 0 FCADLP 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C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)Nc4ccon4)[C@H]3C2)C1 ZINC001085093208 1258588019 /nfs/dbraw/zinc/58/80/19/1258588019.db2.gz MSPCKVFMOICMFY-ILXRZTDVSA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)Nc4ccon4)[C@H]3C2)C1 ZINC001085093208 1258588028 /nfs/dbraw/zinc/58/80/28/1258588028.db2.gz MSPCKVFMOICMFY-ILXRZTDVSA-N 2 2 361.446 0.488 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)cc1=O ZINC001085105722 1258597448 /nfs/dbraw/zinc/59/74/48/1258597448.db2.gz ACUDXPGUXBTQKR-SJORKVTESA-N 2 2 355.442 0.705 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)cc1=O ZINC001085105722 1258597455 /nfs/dbraw/zinc/59/74/55/1258597455.db2.gz ACUDXPGUXBTQKR-SJORKVTESA-N 2 2 355.442 0.705 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001085207052 1258631014 /nfs/dbraw/zinc/63/10/14/1258631014.db2.gz ABOXTNJTSTVUJW-OAGGEKHMSA-N 2 2 359.474 0.667 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088112058 1258648193 /nfs/dbraw/zinc/64/81/93/1258648193.db2.gz KIQLRFHGVSORAD-YYIAUSFCSA-N 2 2 369.473 0.596 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088112058 1258648198 /nfs/dbraw/zinc/64/81/98/1258648198.db2.gz KIQLRFHGVSORAD-YYIAUSFCSA-N 2 2 369.473 0.596 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170127 1258689443 /nfs/dbraw/zinc/68/94/43/1258689443.db2.gz FVJQCKQDCSSQAG-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170127 1258689448 /nfs/dbraw/zinc/68/94/48/1258689448.db2.gz FVJQCKQDCSSQAG-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170127 1258689453 /nfs/dbraw/zinc/68/94/53/1258689453.db2.gz FVJQCKQDCSSQAG-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170127 1258689458 /nfs/dbraw/zinc/68/94/58/1258689458.db2.gz FVJQCKQDCSSQAG-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200279 1258722752 /nfs/dbraw/zinc/72/27/52/1258722752.db2.gz WGVSBWYPGRKEKK-ILXRZTDVSA-N 2 2 359.478 0.240 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200279 1258722758 /nfs/dbraw/zinc/72/27/58/1258722758.db2.gz WGVSBWYPGRKEKK-ILXRZTDVSA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200279 1258722768 /nfs/dbraw/zinc/72/27/68/1258722768.db2.gz WGVSBWYPGRKEKK-ILXRZTDVSA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200279 1258722773 /nfs/dbraw/zinc/72/27/73/1258722773.db2.gz WGVSBWYPGRKEKK-ILXRZTDVSA-N 2 2 359.478 0.240 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201308 1258725034 /nfs/dbraw/zinc/72/50/34/1258725034.db2.gz VPWHCYBXQJXLNG-SJORKVTESA-N 2 2 360.506 0.983 20 0 FCADLP CCn1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)n1 ZINC001088201308 1258725039 /nfs/dbraw/zinc/72/50/39/1258725039.db2.gz VPWHCYBXQJXLNG-SJORKVTESA-N 2 2 360.506 0.983 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211518 1258735559 /nfs/dbraw/zinc/73/55/59/1258735559.db2.gz ODZVEDOPYAEQNV-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211518 1258735565 /nfs/dbraw/zinc/73/55/65/1258735565.db2.gz ODZVEDOPYAEQNV-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211518 1258735569 /nfs/dbraw/zinc/73/55/69/1258735569.db2.gz ODZVEDOPYAEQNV-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211518 1258735575 /nfs/dbraw/zinc/73/55/75/1258735575.db2.gz ODZVEDOPYAEQNV-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001089959371 1258766789 /nfs/dbraw/zinc/76/67/89/1258766789.db2.gz ILEUZROFZBAWRW-ARFHVFGLSA-N 2 2 362.474 0.503 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)CC2(CCOCC2)C1 ZINC001089959371 1258766795 /nfs/dbraw/zinc/76/67/95/1258766795.db2.gz ILEUZROFZBAWRW-ARFHVFGLSA-N 2 2 362.474 0.503 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21 ZINC001090315162 1258773282 /nfs/dbraw/zinc/77/32/82/1258773282.db2.gz MZQNWRLXTHOIBW-DZGCQCFKSA-N 2 2 357.462 0.741 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21 ZINC001090315162 1258773296 /nfs/dbraw/zinc/77/32/96/1258773296.db2.gz MZQNWRLXTHOIBW-DZGCQCFKSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734822 1258821758 /nfs/dbraw/zinc/82/17/58/1258821758.db2.gz JSNOWDPXQBDEQH-KFWWJZLASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092734822 1258821767 /nfs/dbraw/zinc/82/17/67/1258821767.db2.gz JSNOWDPXQBDEQH-KFWWJZLASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092734822 1258821778 /nfs/dbraw/zinc/82/17/78/1258821778.db2.gz JSNOWDPXQBDEQH-KFWWJZLASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092734822 1258821788 /nfs/dbraw/zinc/82/17/88/1258821788.db2.gz JSNOWDPXQBDEQH-KFWWJZLASA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728494 1258822852 /nfs/dbraw/zinc/82/28/52/1258822852.db2.gz MLYLXYPMOLSYGP-UKRRQHHQSA-N 2 2 370.457 0.886 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728494 1258822856 /nfs/dbraw/zinc/82/28/56/1258822856.db2.gz MLYLXYPMOLSYGP-UKRRQHHQSA-N 2 2 370.457 0.886 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106575064 1258925095 /nfs/dbraw/zinc/92/50/95/1258925095.db2.gz UYYHPMYNRQNOJK-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106575064 1258925105 /nfs/dbraw/zinc/92/51/05/1258925105.db2.gz UYYHPMYNRQNOJK-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106677789 1258939251 /nfs/dbraw/zinc/93/92/51/1258939251.db2.gz HYKYUFQNWOFDFN-QBPKDAKJSA-N 2 2 373.501 0.830 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106678129 1258940383 /nfs/dbraw/zinc/94/03/83/1258940383.db2.gz ZRXHKDYTCCVHHB-KLHDSHLOSA-N 2 2 374.489 0.233 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C)C(N)=O ZINC001106720708 1258946621 /nfs/dbraw/zinc/94/66/21/1258946621.db2.gz BIHLVOKILSBVEC-OWCLPIDISA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106749656 1258953734 /nfs/dbraw/zinc/95/37/34/1258953734.db2.gz BTKRJEFYUOCBTK-SQWLQELKSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106749656 1258953740 /nfs/dbraw/zinc/95/37/40/1258953740.db2.gz BTKRJEFYUOCBTK-SQWLQELKSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NC1CCCC1 ZINC001106876916 1258984737 /nfs/dbraw/zinc/98/47/37/1258984737.db2.gz DQOWJLHLVMBQJK-HUUCEWRRSA-N 2 2 361.490 0.706 20 0 FCADLP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922454 1258995442 /nfs/dbraw/zinc/99/54/42/1258995442.db2.gz DIGWROJYAUTKKM-UKRRQHHQSA-N 2 2 365.478 0.097 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CCC2)[C@H](C)C1 ZINC001106922422 1258995570 /nfs/dbraw/zinc/99/55/70/1258995570.db2.gz CMRKQTSHTRQXLI-CZUORRHYSA-N 2 2 361.490 0.861 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001106936979 1259000056 /nfs/dbraw/zinc/00/00/56/1259000056.db2.gz BGNXPCXLNFJAAL-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937224 1259000411 /nfs/dbraw/zinc/00/04/11/1259000411.db2.gz OVEXHQJWAOKJQV-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106938109 1259000475 /nfs/dbraw/zinc/00/04/75/1259000475.db2.gz NRSCJHQJVMJJCF-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106938466 1259001449 /nfs/dbraw/zinc/00/14/49/1259001449.db2.gz XZZIUHBKWRWNHR-HZPDHXFCSA-N 2 2 363.506 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001107079109 1259029480 /nfs/dbraw/zinc/02/94/80/1259029480.db2.gz STRSFLASYPSYLS-HUUCEWRRSA-N 2 2 371.441 0.912 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12)C1CC1 ZINC001107560649 1259118833 /nfs/dbraw/zinc/11/88/33/1259118833.db2.gz UNXYUPZKQDSWBO-VQIMIIECSA-N 2 2 359.474 0.934 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12)C1CC1 ZINC001107560649 1259118837 /nfs/dbraw/zinc/11/88/37/1259118837.db2.gz UNXYUPZKQDSWBO-VQIMIIECSA-N 2 2 359.474 0.934 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCNC(=O)C1CC1)CC2 ZINC001107590447 1259128280 /nfs/dbraw/zinc/12/82/80/1259128280.db2.gz CTVGOTLVOIJMKS-DNVCBOLYSA-N 2 2 359.474 0.839 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCNC(=O)C1CC1)CC2 ZINC001107590447 1259128287 /nfs/dbraw/zinc/12/82/87/1259128287.db2.gz CTVGOTLVOIJMKS-DNVCBOLYSA-N 2 2 359.474 0.839 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609403 1259131537 /nfs/dbraw/zinc/13/15/37/1259131537.db2.gz QOIUOFSAGPKGFR-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609403 1259131543 /nfs/dbraw/zinc/13/15/43/1259131543.db2.gz QOIUOFSAGPKGFR-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609403 1259131547 /nfs/dbraw/zinc/13/15/47/1259131547.db2.gz QOIUOFSAGPKGFR-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609403 1259131551 /nfs/dbraw/zinc/13/15/51/1259131551.db2.gz QOIUOFSAGPKGFR-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622952 1259135338 /nfs/dbraw/zinc/13/53/38/1259135338.db2.gz JMFSLOMKDAZQTL-VQIMIIECSA-N 2 2 361.490 0.850 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622952 1259135342 /nfs/dbraw/zinc/13/53/42/1259135342.db2.gz JMFSLOMKDAZQTL-VQIMIIECSA-N 2 2 361.490 0.850 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001107634141 1259140440 /nfs/dbraw/zinc/14/04/40/1259140440.db2.gz LZCZBYDKLNSECM-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001107634141 1259140444 /nfs/dbraw/zinc/14/04/44/1259140444.db2.gz LZCZBYDKLNSECM-CRAIPNDOSA-N 2 2 357.462 0.881 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12)C1CC1 ZINC001107652309 1259143097 /nfs/dbraw/zinc/14/30/97/1259143097.db2.gz NIUXECWWWXMIBU-VQIMIIECSA-N 2 2 359.474 0.865 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12)C1CC1 ZINC001107652309 1259143102 /nfs/dbraw/zinc/14/31/02/1259143102.db2.gz NIUXECWWWXMIBU-VQIMIIECSA-N 2 2 359.474 0.865 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(Cc3c[nH+]cn3C)CCO2)CC[N@@H+]1C ZINC001107953183 1259147105 /nfs/dbraw/zinc/14/71/05/1259147105.db2.gz UDONNJRZXDNJOQ-SCTDSRPQSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)CN(Cc3c[nH+]cn3C)CCO2)CC[N@H+]1C ZINC001107953183 1259147107 /nfs/dbraw/zinc/14/71/07/1259147107.db2.gz UDONNJRZXDNJOQ-SCTDSRPQSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112542989 1259165059 /nfs/dbraw/zinc/16/50/59/1259165059.db2.gz CYERDQTUAJLSBG-VCBZYWHSSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112542989 1259165066 /nfs/dbraw/zinc/16/50/66/1259165066.db2.gz CYERDQTUAJLSBG-VCBZYWHSSA-N 2 2 361.490 0.895 20 0 FCADLP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)nn1 ZINC001127547154 1259178558 /nfs/dbraw/zinc/17/85/58/1259178558.db2.gz CQGSGKJNBKBLBL-GDBMZVCRSA-N 2 2 370.457 0.859 20 0 FCADLP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(N)=O ZINC001127547514 1259178713 /nfs/dbraw/zinc/17/87/13/1259178713.db2.gz LYNIWAAFUFCZMB-OAGGEKHMSA-N 2 2 361.490 0.904 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001127547116 1259178792 /nfs/dbraw/zinc/17/87/92/1259178792.db2.gz BFDSZUYAOMRZQY-BZUAXINKSA-N 2 2 369.473 0.639 20 0 FCADLP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851299 1259247380 /nfs/dbraw/zinc/24/73/80/1259247380.db2.gz HNOCHOHESXOOPS-BWCQMHGCSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851299 1259247381 /nfs/dbraw/zinc/24/73/81/1259247381.db2.gz HNOCHOHESXOOPS-BWCQMHGCSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851299 1259247385 /nfs/dbraw/zinc/24/73/85/1259247385.db2.gz HNOCHOHESXOOPS-BWCQMHGCSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851299 1259247389 /nfs/dbraw/zinc/24/73/89/1259247389.db2.gz HNOCHOHESXOOPS-BWCQMHGCSA-N 2 2 362.478 0.307 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1)OC ZINC001128962561 1259275261 /nfs/dbraw/zinc/27/52/61/1259275261.db2.gz VCSJEVLFROBTCR-ZNMIVQPWSA-N 2 2 361.450 0.401 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1)OC ZINC001128962561 1259275263 /nfs/dbraw/zinc/27/52/63/1259275263.db2.gz VCSJEVLFROBTCR-ZNMIVQPWSA-N 2 2 361.450 0.401 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128962641 1259276497 /nfs/dbraw/zinc/27/64/97/1259276497.db2.gz YBWGOWXOHALULP-CABCVRRESA-N 2 2 361.450 0.401 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128962641 1259276500 /nfs/dbraw/zinc/27/65/00/1259276500.db2.gz YBWGOWXOHALULP-CABCVRRESA-N 2 2 361.450 0.401 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n3ccnn3)C2)on1 ZINC001129204538 1259343976 /nfs/dbraw/zinc/34/39/76/1259343976.db2.gz HZAPRBOLBRMUBJ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n3ccnn3)C2)on1 ZINC001129204538 1259343984 /nfs/dbraw/zinc/34/39/84/1259343984.db2.gz HZAPRBOLBRMUBJ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129204332 1259344941 /nfs/dbraw/zinc/34/49/41/1259344941.db2.gz CUQIIPGXXAPHPW-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129204332 1259344950 /nfs/dbraw/zinc/34/49/50/1259344950.db2.gz CUQIIPGXXAPHPW-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271442 1259361491 /nfs/dbraw/zinc/36/14/91/1259361491.db2.gz FNTBMUVKUVPNSQ-ANQUJSFKSA-N 2 2 373.461 0.193 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129271442 1259361499 /nfs/dbraw/zinc/36/14/99/1259361499.db2.gz FNTBMUVKUVPNSQ-ANQUJSFKSA-N 2 2 373.461 0.193 20 0 FCADLP C[NH+]1CCN(c2ccncc2C(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001199356765 1259413629 /nfs/dbraw/zinc/41/36/29/1259413629.db2.gz BDHDBOSFBPNDGE-UHFFFAOYSA-N 2 2 353.430 0.242 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297803 1259456293 /nfs/dbraw/zinc/45/62/93/1259456293.db2.gz LYPIQXJOGUCDQJ-MWQQHZPXSA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212297803 1259456300 /nfs/dbraw/zinc/45/63/00/1259456300.db2.gz LYPIQXJOGUCDQJ-MWQQHZPXSA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001212297803 1259456305 /nfs/dbraw/zinc/45/63/05/1259456305.db2.gz LYPIQXJOGUCDQJ-MWQQHZPXSA-N 2 2 366.506 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001212297803 1259456311 /nfs/dbraw/zinc/45/63/11/1259456311.db2.gz LYPIQXJOGUCDQJ-MWQQHZPXSA-N 2 2 366.506 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@H]2OC)CC[N@@H+]1C ZINC001212299482 1259456993 /nfs/dbraw/zinc/45/69/93/1259456993.db2.gz JKMRARULNJDUGT-YLFCFFPRSA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@H]2OC)CC[N@H+]1C ZINC001212299482 1259456997 /nfs/dbraw/zinc/45/69/97/1259456997.db2.gz JKMRARULNJDUGT-YLFCFFPRSA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@H]2OC)CC[NH+]1C ZINC001212299482 1259457000 /nfs/dbraw/zinc/45/70/00/1259457000.db2.gz JKMRARULNJDUGT-YLFCFFPRSA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@H]2OC)CC[NH+]1C ZINC001212299482 1259457004 /nfs/dbraw/zinc/45/70/04/1259457004.db2.gz JKMRARULNJDUGT-YLFCFFPRSA-N 2 2 368.522 0.401 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC ZINC001212301365 1259457788 /nfs/dbraw/zinc/45/77/88/1259457788.db2.gz ODKFBXZWDBKOJR-BZUAXINKSA-N 2 2 368.478 0.221 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1OC ZINC001212301365 1259457791 /nfs/dbraw/zinc/45/77/91/1259457791.db2.gz ODKFBXZWDBKOJR-BZUAXINKSA-N 2 2 368.478 0.221 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001212315584 1259462201 /nfs/dbraw/zinc/46/22/01/1259462201.db2.gz ZXEUYQOBBPMJPH-KRWDZBQOSA-N 2 2 372.473 0.996 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406401 1259492622 /nfs/dbraw/zinc/49/26/22/1259492622.db2.gz RBJMJFMANPVVPL-BRWVUGGUSA-N 2 2 367.494 0.054 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406401 1259492626 /nfs/dbraw/zinc/49/26/26/1259492626.db2.gz RBJMJFMANPVVPL-BRWVUGGUSA-N 2 2 367.494 0.054 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1)C1CC1 ZINC001212407583 1259493883 /nfs/dbraw/zinc/49/38/83/1259493883.db2.gz BJOCYZTUTARWKS-HZPDHXFCSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1)C1CC1 ZINC001212407583 1259493885 /nfs/dbraw/zinc/49/38/85/1259493885.db2.gz BJOCYZTUTARWKS-HZPDHXFCSA-N 2 2 366.506 0.297 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414212 1259495839 /nfs/dbraw/zinc/49/58/39/1259495839.db2.gz GUINXYROOHVPOX-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414212 1259495841 /nfs/dbraw/zinc/49/58/41/1259495841.db2.gz GUINXYROOHVPOX-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414212 1259495842 /nfs/dbraw/zinc/49/58/42/1259495842.db2.gz GUINXYROOHVPOX-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414212 1259495845 /nfs/dbraw/zinc/49/58/45/1259495845.db2.gz GUINXYROOHVPOX-IAGOWNOFSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410898 1259495906 /nfs/dbraw/zinc/49/59/06/1259495906.db2.gz YGPNXPSPMDBRJY-ZACQAIPSSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410898 1259495909 /nfs/dbraw/zinc/49/59/09/1259495909.db2.gz YGPNXPSPMDBRJY-ZACQAIPSSA-N 2 2 362.474 0.746 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483785 1259520220 /nfs/dbraw/zinc/52/02/20/1259520220.db2.gz SNNKMSHNJLOUEQ-RBSFLKMASA-N 2 2 370.538 0.835 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483785 1259520224 /nfs/dbraw/zinc/52/02/24/1259520224.db2.gz SNNKMSHNJLOUEQ-RBSFLKMASA-N 2 2 370.538 0.835 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483785 1259520226 /nfs/dbraw/zinc/52/02/26/1259520226.db2.gz SNNKMSHNJLOUEQ-RBSFLKMASA-N 2 2 370.538 0.835 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483785 1259520227 /nfs/dbraw/zinc/52/02/27/1259520227.db2.gz SNNKMSHNJLOUEQ-RBSFLKMASA-N 2 2 370.538 0.835 20 0 FCADLP Cn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1 ZINC001235637711 1259580864 /nfs/dbraw/zinc/58/08/64/1259580864.db2.gz KSFVCOHTPLUNPX-HLLBOEOZSA-N 2 2 362.474 0.522 20 0 FCADLP Cn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1 ZINC001235637711 1259580868 /nfs/dbraw/zinc/58/08/68/1259580868.db2.gz KSFVCOHTPLUNPX-HLLBOEOZSA-N 2 2 362.474 0.522 20 0 FCADLP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1-n1cc[nH+]c1 ZINC001235871826 1259584407 /nfs/dbraw/zinc/58/44/07/1259584407.db2.gz ZEGMFLYNNBPLHP-UHFFFAOYSA-N 3 2 358.490 0.465 20 0 FCADLP C[NH+]1CCN(c2ncc(-c3ccnc(N4CC[NH+](C)CC4)n3)cn2)CC1 ZINC001235916871 1259585748 /nfs/dbraw/zinc/58/57/48/1259585748.db2.gz VKQGNIBHIZIFDR-UHFFFAOYSA-N 2 2 354.462 0.437 20 0 FCADLP Cn1c2ccccc2c(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1=O ZINC001236310576 1259588401 /nfs/dbraw/zinc/58/84/01/1259588401.db2.gz HMLNABUTCGCUJT-UHFFFAOYSA-N 3 2 359.474 0.154 20 0 FCADLP Cn1c2ccccc2c(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1=O ZINC001236310576 1259588407 /nfs/dbraw/zinc/58/84/07/1259588407.db2.gz HMLNABUTCGCUJT-UHFFFAOYSA-N 3 2 359.474 0.154 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3cccc4c[nH+]cn43)CC[C@@H]2C1 ZINC001238105981 1259615015 /nfs/dbraw/zinc/61/50/15/1259615015.db2.gz WOFVBFMZVMLGEF-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3cccc4c[nH+]cn43)CC[C@@H]2C1 ZINC001238105981 1259615023 /nfs/dbraw/zinc/61/50/23/1259615023.db2.gz WOFVBFMZVMLGEF-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc4c[nH+]cn43)CC[C@@H]2C1 ZINC001238105981 1259615033 /nfs/dbraw/zinc/61/50/33/1259615033.db2.gz WOFVBFMZVMLGEF-VQIMIIECSA-N 3 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc4c[nH+]cn43)CC[C@@H]2C1 ZINC001238105981 1259615040 /nfs/dbraw/zinc/61/50/40/1259615040.db2.gz WOFVBFMZVMLGEF-VQIMIIECSA-N 3 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc4c[nH+]cn43)CC[C@@H]2C1 ZINC001238105981 1259615050 /nfs/dbraw/zinc/61/50/50/1259615050.db2.gz WOFVBFMZVMLGEF-VQIMIIECSA-N 3 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc4c[nH+]cn43)CC[C@@H]2C1 ZINC001238105981 1259615060 /nfs/dbraw/zinc/61/50/60/1259615060.db2.gz WOFVBFMZVMLGEF-VQIMIIECSA-N 3 2 371.485 0.945 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccnc(-c3ccnc(N4CC[NH2+]CC4)c3)c2)CC1 ZINC001242392451 1259635534 /nfs/dbraw/zinc/63/55/34/1259635534.db2.gz BFQFSVQYUGQRGZ-UHFFFAOYSA-N 2 2 366.469 0.941 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001335393392 1259641464 /nfs/dbraw/zinc/64/14/64/1259641464.db2.gz SKNUKTCGJBZYFU-CVEARBPZSA-N 2 2 361.490 0.658 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC001335397379 1259644029 /nfs/dbraw/zinc/64/40/29/1259644029.db2.gz GHRAGCRDKCFJBU-QGPMSJSTSA-N 2 2 365.474 0.437 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001335397379 1259644042 /nfs/dbraw/zinc/64/40/42/1259644042.db2.gz GHRAGCRDKCFJBU-QGPMSJSTSA-N 2 2 365.474 0.437 20 0 FCADLP CCOC[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691169 1259660652 /nfs/dbraw/zinc/66/06/52/1259660652.db2.gz DLJNTFCDZKMFOL-HOTGVXAUSA-N 2 2 360.506 0.718 20 0 FCADLP CCOC[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691169 1259660656 /nfs/dbraw/zinc/66/06/56/1259660656.db2.gz DLJNTFCDZKMFOL-HOTGVXAUSA-N 2 2 360.506 0.718 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246701400 1259663691 /nfs/dbraw/zinc/66/36/91/1259663691.db2.gz CNSLNNOYKCPCGO-HRJSJKBJSA-N 2 2 364.421 0.452 20 0 FCADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246742823 1259678266 /nfs/dbraw/zinc/67/82/66/1259678266.db2.gz YANUUOFKKJGWIJ-FKEKPDDDSA-N 2 2 354.458 0.977 20 0 FCADLP C[C@H]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C[NH2+]1 ZINC001246772361 1259686198 /nfs/dbraw/zinc/68/61/98/1259686198.db2.gz DHLTXGWYQUCITP-GJZGRUSLSA-N 2 2 371.489 0.545 20 0 FCADLP C(c1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2)[NH+]1CCCCC1 ZINC001246770324 1259686281 /nfs/dbraw/zinc/68/62/81/1259686281.db2.gz YHGIWTHPKSZEJG-INIZCTEOSA-N 3 2 359.522 0.216 20 0 FCADLP C(c1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2)[NH+]1CCCCC1 ZINC001246770324 1259686288 /nfs/dbraw/zinc/68/62/88/1259686288.db2.gz YHGIWTHPKSZEJG-INIZCTEOSA-N 3 2 359.522 0.216 20 0 FCADLP CN(C)c1cc(N(Cc2cnc3n2CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC001246771574 1259687428 /nfs/dbraw/zinc/68/74/28/1259687428.db2.gz VFVYEYMCPVWBIL-OAHLLOKOSA-N 3 2 370.505 0.643 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@@H]2CCC[NH2+]C2)CC3)cn1 ZINC001246776090 1259688235 /nfs/dbraw/zinc/68/82/35/1259688235.db2.gz HZXAKJLVSMYTGE-OAHLLOKOSA-N 2 2 357.462 0.157 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335505561 1259689883 /nfs/dbraw/zinc/68/98/83/1259689883.db2.gz KGYDYHZSFPERSY-ZBFHGGJFSA-N 2 2 354.470 0.431 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](CF)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335505561 1259689891 /nfs/dbraw/zinc/68/98/91/1259689891.db2.gz KGYDYHZSFPERSY-ZBFHGGJFSA-N 2 2 354.470 0.431 20 0 FCADLP Cn1ncc2ccc(-c3noc(CNC(=O)[C@@H]([NH3+])Cc4c[nH+]c[nH]4)n3)cc21 ZINC001247336458 1259701228 /nfs/dbraw/zinc/70/12/28/1259701228.db2.gz XXZDZVUABURDKS-ZDUSSCGKSA-N 2 2 366.385 0.533 20 0 FCADLP C[NH+]1CCN(c2ccc(-c3noc(C[NH+](CCO)CCO)n3)cc2)CC1 ZINC001247553864 1259703110 /nfs/dbraw/zinc/70/31/10/1259703110.db2.gz RXUIMSWDNRYMOH-UHFFFAOYSA-N 2 2 361.446 0.275 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251048011 1259735892 /nfs/dbraw/zinc/73/58/92/1259735892.db2.gz AFBXRTDXVBJQSL-XUVXKRRUSA-N 2 2 363.502 0.559 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251048011 1259735898 /nfs/dbraw/zinc/73/58/98/1259735898.db2.gz AFBXRTDXVBJQSL-XUVXKRRUSA-N 2 2 363.502 0.559 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335629937 1259752192 /nfs/dbraw/zinc/75/21/92/1259752192.db2.gz ONCJTBLRMUVDTJ-HOTGVXAUSA-N 2 2 354.495 0.555 20 0 FCADLP O=C(NC[C@H]1CCCCC[NH2+]1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001335696736 1259791452 /nfs/dbraw/zinc/79/14/52/1259791452.db2.gz QTSQFMRZQBMSAK-OAHLLOKOSA-N 2 2 361.494 0.803 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001253184775 1259827099 /nfs/dbraw/zinc/82/70/99/1259827099.db2.gz KLXCMRCPRVDVDU-FGTMMUONSA-N 2 2 363.506 0.706 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001253184775 1259827101 /nfs/dbraw/zinc/82/71/01/1259827101.db2.gz KLXCMRCPRVDVDU-FGTMMUONSA-N 2 2 363.506 0.706 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001253183349 1259827208 /nfs/dbraw/zinc/82/72/08/1259827208.db2.gz YEGHLLBHXGYZBM-TVFCKZIOSA-N 2 2 369.506 0.865 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001253183349 1259827212 /nfs/dbraw/zinc/82/72/12/1259827212.db2.gz YEGHLLBHXGYZBM-TVFCKZIOSA-N 2 2 369.506 0.865 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 ZINC001253187174 1259829177 /nfs/dbraw/zinc/82/91/77/1259829177.db2.gz WLKXRVNCEADVRU-IAGOWNOFSA-N 2 2 363.506 0.561 20 0 FCADLP CC[NH+](CC)C[C@@H](O)CN1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001253185842 1259829199 /nfs/dbraw/zinc/82/91/99/1259829199.db2.gz IPOILAUYFLDEQH-QGZVFWFLSA-N 2 2 364.538 0.825 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001253391049 1259838779 /nfs/dbraw/zinc/83/87/79/1259838779.db2.gz WFEIKPZXLAAADB-MRXNPFEDSA-N 2 2 374.489 0.443 20 0 FCADLP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335791165 1259840916 /nfs/dbraw/zinc/84/09/16/1259840916.db2.gz SGFUYHUVUNSKPG-UKRRQHHQSA-N 2 2 362.478 0.173 20 0 FCADLP CN(C(=O)[C@@H]1CCC2N=NC(=O)N2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335791165 1259840924 /nfs/dbraw/zinc/84/09/24/1259840924.db2.gz SGFUYHUVUNSKPG-UKRRQHHQSA-N 2 2 362.478 0.173 20 0 FCADLP CC(=O)N1CCC([N@@H+]2Cc3nccn3C[C@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC001254426127 1259883001 /nfs/dbraw/zinc/88/30/01/1259883001.db2.gz RVJSDABPMHYYEH-SFHVURJKSA-N 2 2 374.533 0.573 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H]1CCC[N@H+](C)C1)CC2 ZINC001255484688 1259915130 /nfs/dbraw/zinc/91/51/30/1259915130.db2.gz BZJOBUYCMNALDL-OAHLLOKOSA-N 2 2 371.489 0.499 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001255484688 1259915140 /nfs/dbraw/zinc/91/51/40/1259915140.db2.gz BZJOBUYCMNALDL-OAHLLOKOSA-N 2 2 371.489 0.499 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C1CC[NH+](C)CC1)CC2 ZINC001256207656 1259937814 /nfs/dbraw/zinc/93/78/14/1259937814.db2.gz NATJOEHDGOQFNU-UHFFFAOYSA-N 2 2 371.489 0.499 20 0 FCADLP COC1(OC)CCOC[C@H]1[NH2+]CCC[NH2+][C@@H]1COCCC1(OC)OC ZINC001336197348 1260036716 /nfs/dbraw/zinc/03/67/16/1260036716.db2.gz DUDWRSXYMFOXLQ-HUUCEWRRSA-N 2 2 362.467 0.112 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336779891 1260221308 /nfs/dbraw/zinc/22/13/08/1260221308.db2.gz KXKJMTYCBFZSMS-CGTJXYLNSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336779891 1260221314 /nfs/dbraw/zinc/22/13/14/1260221314.db2.gz KXKJMTYCBFZSMS-CGTJXYLNSA-N 2 2 351.491 0.797 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336778966 1260221434 /nfs/dbraw/zinc/22/14/34/1260221434.db2.gz FRISFYMXDQXHDT-ARFHVFGLSA-N 2 2 367.490 0.667 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336778966 1260221443 /nfs/dbraw/zinc/22/14/43/1260221443.db2.gz FRISFYMXDQXHDT-ARFHVFGLSA-N 2 2 367.490 0.667 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336778968 1260221739 /nfs/dbraw/zinc/22/17/39/1260221739.db2.gz FRISFYMXDQXHDT-OAGGEKHMSA-N 2 2 367.490 0.667 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336778968 1260221744 /nfs/dbraw/zinc/22/17/44/1260221744.db2.gz FRISFYMXDQXHDT-OAGGEKHMSA-N 2 2 367.490 0.667 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001262031420 1260247762 /nfs/dbraw/zinc/24/77/62/1260247762.db2.gz QWOSWTYGIVLOHF-MRXNPFEDSA-N 2 2 367.538 0.565 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262030780 1260247869 /nfs/dbraw/zinc/24/78/69/1260247869.db2.gz WIRCGVYQOIYLRG-MRXNPFEDSA-N 2 2 362.474 0.889 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262030780 1260247876 /nfs/dbraw/zinc/24/78/76/1260247876.db2.gz WIRCGVYQOIYLRG-MRXNPFEDSA-N 2 2 362.474 0.889 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC001262073547 1260256947 /nfs/dbraw/zinc/25/69/47/1260256947.db2.gz VKJZDSSBFPEMSN-YQQAZPJKSA-N 2 2 374.485 0.754 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@@H](C)C1 ZINC001336943569 1260262490 /nfs/dbraw/zinc/26/24/90/1260262490.db2.gz YCYKIWVTFXPBML-DLBZAZTESA-N 2 2 355.527 0.158 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCNCC2)[C@@H](C)C1 ZINC001336943569 1260262497 /nfs/dbraw/zinc/26/24/97/1260262497.db2.gz YCYKIWVTFXPBML-DLBZAZTESA-N 2 2 355.527 0.158 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001262170089 1260273095 /nfs/dbraw/zinc/27/30/95/1260273095.db2.gz CIIASOYBKWCYPS-SJORKVTESA-N 2 2 363.510 0.859 20 0 FCADLP CN(C(=O)CCn1cnnn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001262170089 1260273101 /nfs/dbraw/zinc/27/31/01/1260273101.db2.gz CIIASOYBKWCYPS-SJORKVTESA-N 2 2 363.510 0.859 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001262564500 1260328618 /nfs/dbraw/zinc/32/86/18/1260328618.db2.gz KBDAQTMRDUYXJW-IBGZPJMESA-N 2 2 363.502 0.954 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC001337240806 1260348417 /nfs/dbraw/zinc/34/84/17/1260348417.db2.gz VNOYZINSMRKKLY-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC001337240806 1260348427 /nfs/dbraw/zinc/34/84/27/1260348427.db2.gz VNOYZINSMRKKLY-INIZCTEOSA-N 2 2 359.474 0.955 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001263944036 1260358948 /nfs/dbraw/zinc/35/89/48/1260358948.db2.gz NLMGCBQBAGQECX-HYVNUMGLSA-N 2 2 360.462 0.362 20 0 FCADLP C[C@@H](c1cnccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265258210 1260410021 /nfs/dbraw/zinc/41/00/21/1260410021.db2.gz BWLQKZIGRKVMPX-IXDOHACOSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@@H](c1cnccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265258210 1260410025 /nfs/dbraw/zinc/41/00/25/1260410025.db2.gz BWLQKZIGRKVMPX-IXDOHACOSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@@H](c1cnccn1)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265258210 1260410027 /nfs/dbraw/zinc/41/00/27/1260410027.db2.gz BWLQKZIGRKVMPX-IXDOHACOSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@@H](c1cnccn1)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265258210 1260410030 /nfs/dbraw/zinc/41/00/30/1260410030.db2.gz BWLQKZIGRKVMPX-IXDOHACOSA-N 2 2 360.506 0.612 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001337602729 1260437578 /nfs/dbraw/zinc/43/75/78/1260437578.db2.gz ZLEIAVPOIXVVBO-KRWDZBQOSA-N 2 2 359.474 0.193 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(=O)[nH]2)CC1 ZINC001272867341 1260520074 /nfs/dbraw/zinc/52/00/74/1260520074.db2.gz GSPYLFANFFKTOP-IRXDYDNUSA-N 2 2 359.474 0.210 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccc(=O)[nH]2)CC1 ZINC001272867341 1260520082 /nfs/dbraw/zinc/52/00/82/1260520082.db2.gz GSPYLFANFFKTOP-IRXDYDNUSA-N 2 2 359.474 0.210 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)C1=O ZINC001273191470 1260619169 /nfs/dbraw/zinc/61/91/69/1260619169.db2.gz DUHFHHGQZFVGKH-KHYOSLBOSA-N 2 2 359.474 0.711 20 0 FCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001273193282 1260620038 /nfs/dbraw/zinc/62/00/38/1260620038.db2.gz WEPVDUFTLUSORT-JTDSTZFVSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[N@H+](C)CCO2)n(C)n1 ZINC001273216964 1260625929 /nfs/dbraw/zinc/62/59/29/1260625929.db2.gz JSZYVCJTQZVYET-MMNRESRNSA-N 2 2 361.490 0.671 20 0 FCADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[N@@H+](C)CCO2)n(C)n1 ZINC001273216964 1260625935 /nfs/dbraw/zinc/62/59/35/1260625935.db2.gz JSZYVCJTQZVYET-MMNRESRNSA-N 2 2 361.490 0.671 20 0 FCADLP C[N@@H+]1CCC[C@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001273254815 1260637773 /nfs/dbraw/zinc/63/77/73/1260637773.db2.gz MEQILOLHAAQCPB-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP C[N@H+]1CCC[C@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001273254815 1260637781 /nfs/dbraw/zinc/63/77/81/1260637781.db2.gz MEQILOLHAAQCPB-KURKYZTESA-N 2 2 361.490 0.527 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732522 1260666337 /nfs/dbraw/zinc/66/63/37/1260666337.db2.gz FORXNCPRKUMHNH-SFHVURJKSA-N 2 2 361.446 0.584 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732522 1260666343 /nfs/dbraw/zinc/66/63/43/1260666343.db2.gz FORXNCPRKUMHNH-SFHVURJKSA-N 2 2 361.446 0.584 20 0 FCADLP COC(=O)[C@H](O)C[NH+]1CCC2(CCC(=O)N(Cc3c[nH+]cn3C)C2)CC1 ZINC001277777787 1260668733 /nfs/dbraw/zinc/66/87/33/1260668733.db2.gz YQPDHJZNJZUGIM-OAHLLOKOSA-N 2 2 364.446 0.159 20 0 FCADLP CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001279174673 1260797695 /nfs/dbraw/zinc/79/76/95/1260797695.db2.gz WAQQCHRZSBMVSB-SJORKVTESA-N 2 2 358.486 0.868 20 0 FCADLP Cc1cnc(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)cn1 ZINC001279423305 1260866181 /nfs/dbraw/zinc/86/61/81/1260866181.db2.gz NIIGHEBPYQGYHV-LJQANCHMSA-N 2 2 360.506 0.503 20 0 FCADLP Cc1cnc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)cn1 ZINC001279423305 1260866185 /nfs/dbraw/zinc/86/61/85/1260866185.db2.gz NIIGHEBPYQGYHV-LJQANCHMSA-N 2 2 360.506 0.503 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001279473485 1260876548 /nfs/dbraw/zinc/87/65/48/1260876548.db2.gz CPFZEEYUGUXCOI-RDGPPVDQSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001279473485 1260876554 /nfs/dbraw/zinc/87/65/54/1260876554.db2.gz CPFZEEYUGUXCOI-RDGPPVDQSA-N 2 2 363.502 0.951 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279590715 1260896869 /nfs/dbraw/zinc/89/68/69/1260896869.db2.gz HYLXOEAIKJBXRL-HXUWFJFHSA-N 3 2 367.582 0.792 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001279590715 1260896880 /nfs/dbraw/zinc/89/68/80/1260896880.db2.gz HYLXOEAIKJBXRL-HXUWFJFHSA-N 3 2 367.582 0.792 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NC2CC[NH+](C)CC2)[nH]n1 ZINC001279917782 1260961410 /nfs/dbraw/zinc/96/14/10/1260961410.db2.gz XUOLZLNIZMNIKX-KRWDZBQOSA-N 2 2 361.490 0.767 20 0 FCADLP CC(C)NC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280076323 1260992834 /nfs/dbraw/zinc/99/28/34/1260992834.db2.gz XMSRNCQUJWCDNW-CALCHBBNSA-N 2 2 365.522 0.522 20 0 FCADLP CC(C)NC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280076323 1260992840 /nfs/dbraw/zinc/99/28/40/1260992840.db2.gz XMSRNCQUJWCDNW-CALCHBBNSA-N 2 2 365.522 0.522 20 0 FCADLP NC(=O)c1[nH]nc2c1C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001280287823 1261047176 /nfs/dbraw/zinc/04/71/76/1261047176.db2.gz IAOCYTGSRFTXMR-UHFFFAOYSA-N 2 2 355.442 0.899 20 0 FCADLP NC(=O)c1[nH]nc2c1C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001280287823 1261047177 /nfs/dbraw/zinc/04/71/77/1261047177.db2.gz IAOCYTGSRFTXMR-UHFFFAOYSA-N 2 2 355.442 0.899 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001280291901 1261050976 /nfs/dbraw/zinc/05/09/76/1261050976.db2.gz YSURUFBZRUZZFL-KRWDZBQOSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001345104438 1261636333 /nfs/dbraw/zinc/63/63/33/1261636333.db2.gz QDANKHBFRJOCIF-YESZJQIVSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001345104438 1261636341 /nfs/dbraw/zinc/63/63/41/1261636341.db2.gz QDANKHBFRJOCIF-YESZJQIVSA-N 2 2 373.501 0.944 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526516 1261730892 /nfs/dbraw/zinc/73/08/92/1261730892.db2.gz LZXGHGXOKREBAD-SQNIBIBYSA-N 2 2 368.570 0.192 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526516 1261730901 /nfs/dbraw/zinc/73/09/01/1261730901.db2.gz LZXGHGXOKREBAD-SQNIBIBYSA-N 2 2 368.570 0.192 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321153 1278121641 /nfs/dbraw/zinc/12/16/41/1278121641.db2.gz XJBQODDRYBSGQR-KCPJHIHWSA-N 2 2 356.434 0.037 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321153 1278121646 /nfs/dbraw/zinc/12/16/46/1278121646.db2.gz XJBQODDRYBSGQR-KCPJHIHWSA-N 2 2 356.434 0.037 20 0 FCADLP NS(=O)(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC001580362711 1278168342 /nfs/dbraw/zinc/16/83/42/1278168342.db2.gz LQMMFSFTUYAIEQ-CYBMUJFWSA-N 2 2 358.895 0.467 20 0 FCADLP NS(=O)(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC001580362711 1278168344 /nfs/dbraw/zinc/16/83/44/1278168344.db2.gz LQMMFSFTUYAIEQ-CYBMUJFWSA-N 2 2 358.895 0.467 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001302759432 1263057148 /nfs/dbraw/zinc/05/71/48/1263057148.db2.gz SAMREWVTNNYHJM-UONOGXRCSA-N 2 2 369.466 0.274 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001302759432 1263057158 /nfs/dbraw/zinc/05/71/58/1263057158.db2.gz SAMREWVTNNYHJM-UONOGXRCSA-N 2 2 369.466 0.274 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001302759431 1263057391 /nfs/dbraw/zinc/05/73/91/1263057391.db2.gz SAMREWVTNNYHJM-KBPBESRZSA-N 2 2 369.466 0.274 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001302759431 1263057397 /nfs/dbraw/zinc/05/73/97/1263057397.db2.gz SAMREWVTNNYHJM-KBPBESRZSA-N 2 2 369.466 0.274 20 0 FCADLP Cc1noc([C@@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001479931127 1263417810 /nfs/dbraw/zinc/41/78/10/1263417810.db2.gz RZNDBQVEICGUTH-IIAWOOMASA-N 2 2 364.494 0.513 20 0 FCADLP Cc1noc([C@@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001479931127 1263417815 /nfs/dbraw/zinc/41/78/15/1263417815.db2.gz RZNDBQVEICGUTH-IIAWOOMASA-N 2 2 364.494 0.513 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001482597173 1263444428 /nfs/dbraw/zinc/44/44/28/1263444428.db2.gz QHMKZBSJMTUBTM-GDBMZVCRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC001482597173 1263444432 /nfs/dbraw/zinc/44/44/32/1263444432.db2.gz QHMKZBSJMTUBTM-GDBMZVCRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001482597173 1263444438 /nfs/dbraw/zinc/44/44/38/1263444438.db2.gz QHMKZBSJMTUBTM-GDBMZVCRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC001482597173 1263444443 /nfs/dbraw/zinc/44/44/43/1263444443.db2.gz QHMKZBSJMTUBTM-GDBMZVCRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC001580385459 1278203111 /nfs/dbraw/zinc/20/31/11/1278203111.db2.gz KVKSLBYRNRPGED-RHSMWYFYSA-N 2 2 369.473 0.851 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@H+]1C ZINC001580385459 1278203116 /nfs/dbraw/zinc/20/31/16/1278203116.db2.gz KVKSLBYRNRPGED-RHSMWYFYSA-N 2 2 369.473 0.851 20 0 FCADLP CC(=O)N1CC[C@H](CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574150 1263709413 /nfs/dbraw/zinc/70/94/13/1263709413.db2.gz XPDKDPFLRDKXKE-IAGOWNOFSA-N 2 2 365.522 0.665 20 0 FCADLP CC(=O)N1CC[C@H](CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574150 1263709421 /nfs/dbraw/zinc/70/94/21/1263709421.db2.gz XPDKDPFLRDKXKE-IAGOWNOFSA-N 2 2 365.522 0.665 20 0 FCADLP CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574154 1263709886 /nfs/dbraw/zinc/70/98/86/1263709886.db2.gz XPDKDPFLRDKXKE-SJORKVTESA-N 2 2 365.522 0.665 20 0 FCADLP CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001319574154 1263709891 /nfs/dbraw/zinc/70/98/91/1263709891.db2.gz XPDKDPFLRDKXKE-SJORKVTESA-N 2 2 365.522 0.665 20 0 FCADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496610129 1263887650 /nfs/dbraw/zinc/88/76/50/1263887650.db2.gz DGXFWUTWJOKSKJ-MSOLQXFVSA-N 2 2 369.469 0.872 20 0 FCADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496610129 1263887661 /nfs/dbraw/zinc/88/76/61/1263887661.db2.gz DGXFWUTWJOKSKJ-MSOLQXFVSA-N 2 2 369.469 0.872 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001321774518 1264058745 /nfs/dbraw/zinc/05/87/45/1264058745.db2.gz ZHZTVTYRDGWXSU-CYBMUJFWSA-N 2 2 354.414 0.908 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC001323069206 1264330830 /nfs/dbraw/zinc/33/08/30/1264330830.db2.gz RPVUDRBBPPFSNN-AWEZNQCLSA-N 2 2 372.460 0.965 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001323502675 1264442047 /nfs/dbraw/zinc/44/20/47/1264442047.db2.gz WSWVYQGUEAYZSC-SJLPKXTDSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001323502675 1264442049 /nfs/dbraw/zinc/44/20/49/1264442049.db2.gz WSWVYQGUEAYZSC-SJLPKXTDSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001323502675 1264442055 /nfs/dbraw/zinc/44/20/55/1264442055.db2.gz WSWVYQGUEAYZSC-SJLPKXTDSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001323502675 1264442058 /nfs/dbraw/zinc/44/20/58/1264442058.db2.gz WSWVYQGUEAYZSC-SJLPKXTDSA-N 2 2 356.470 0.986 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001323962714 1264549176 /nfs/dbraw/zinc/54/91/76/1264549176.db2.gz CUFQLUQIOOGWJZ-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001323962714 1264549185 /nfs/dbraw/zinc/54/91/85/1264549185.db2.gz CUFQLUQIOOGWJZ-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001511794021 1264585686 /nfs/dbraw/zinc/58/56/86/1264585686.db2.gz XIFHERYHJUIYAE-MRXNPFEDSA-N 2 2 366.510 0.323 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC001324906791 1264733634 /nfs/dbraw/zinc/73/36/34/1264733634.db2.gz OIOLTCYRVFSHBC-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC001324906791 1264733645 /nfs/dbraw/zinc/73/36/45/1264733645.db2.gz OIOLTCYRVFSHBC-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC001324906791 1264733658 /nfs/dbraw/zinc/73/36/58/1264733658.db2.gz OIOLTCYRVFSHBC-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC001324906791 1264733669 /nfs/dbraw/zinc/73/36/69/1264733669.db2.gz OIOLTCYRVFSHBC-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)CC[NH2+]CC2 ZINC001326142653 1265066745 /nfs/dbraw/zinc/06/67/45/1265066745.db2.gz NUPHXACLKPXEAI-CVEARBPZSA-N 2 2 371.485 0.767 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC001326277411 1265091188 /nfs/dbraw/zinc/09/11/88/1265091188.db2.gz LSIISKSKUYUNNF-ZFWWWQNUSA-N 2 2 358.446 0.103 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC001326277411 1265091194 /nfs/dbraw/zinc/09/11/94/1265091194.db2.gz LSIISKSKUYUNNF-ZFWWWQNUSA-N 2 2 358.446 0.103 20 0 FCADLP [NH3+]CCN(CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC001326407739 1265107792 /nfs/dbraw/zinc/10/77/92/1265107792.db2.gz FJKMCNZWVGPLFA-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC001326602318 1265140282 /nfs/dbraw/zinc/14/02/82/1265140282.db2.gz SFMZYUCGWMNJQG-LIRRHRJNSA-N 2 2 359.474 0.466 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC3CCOCC3)C2)CC1 ZINC001326609584 1265142510 /nfs/dbraw/zinc/14/25/10/1265142510.db2.gz JCZMNOLPCOZLOQ-INIZCTEOSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC3CCOCC3)C2)CC1 ZINC001326609584 1265142513 /nfs/dbraw/zinc/14/25/13/1265142513.db2.gz JCZMNOLPCOZLOQ-INIZCTEOSA-N 2 2 366.506 0.204 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnnn3C[C@@H]3CCOC3)CC2)CC1 ZINC001332546412 1266427498 /nfs/dbraw/zinc/42/74/98/1266427498.db2.gz SJQMGXKRYFQSOX-INIZCTEOSA-N 2 2 363.510 0.706 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnnn3C[C@@H]3CCOC3)CC2)CC1 ZINC001332546412 1266427503 /nfs/dbraw/zinc/42/75/03/1266427503.db2.gz SJQMGXKRYFQSOX-INIZCTEOSA-N 2 2 363.510 0.706 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001332690968 1266461134 /nfs/dbraw/zinc/46/11/34/1266461134.db2.gz OXKIPYNZUDCREC-DOXZYTNZSA-N 2 2 359.474 0.714 20 0 FCADLP O=C(c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001332977025 1266514664 /nfs/dbraw/zinc/51/46/64/1266514664.db2.gz VPSXACJEJOUUQH-VXGBXAGGSA-N 2 2 370.404 0.297 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001333162500 1266544082 /nfs/dbraw/zinc/54/40/82/1266544082.db2.gz FSJGVLHWBPFIRM-NXHRZFHOSA-N 2 2 356.470 0.712 20 0 FCADLP C[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC001528433203 1266969772 /nfs/dbraw/zinc/96/97/72/1266969772.db2.gz FHXOKDCAKPGHRH-QGZVFWFLSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001334406421 1266984464 /nfs/dbraw/zinc/98/44/64/1266984464.db2.gz QGCWBBZBZLPSQJ-YTQUADARSA-N 2 2 370.497 0.960 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)CCO3)CCCC2)CC[N@@H+]1C ZINC001531565243 1267139803 /nfs/dbraw/zinc/13/98/03/1267139803.db2.gz YRUPTGHSAXHUAP-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)CCO3)CCCC2)CC[N@H+]1C ZINC001531565243 1267139808 /nfs/dbraw/zinc/13/98/08/1267139808.db2.gz YRUPTGHSAXHUAP-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001531565243 1267139810 /nfs/dbraw/zinc/13/98/10/1267139810.db2.gz YRUPTGHSAXHUAP-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCCC2)CC[NH+]1C ZINC001531565243 1267139812 /nfs/dbraw/zinc/13/98/12/1267139812.db2.gz YRUPTGHSAXHUAP-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001532265658 1267165061 /nfs/dbraw/zinc/16/50/61/1267165061.db2.gz CZNJBQKROLAANJ-RBSFLKMASA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001335141182 1267359426 /nfs/dbraw/zinc/35/94/26/1267359426.db2.gz IBRCJQCCZHMHTM-JEZWAEDTSA-N 2 2 374.485 0.706 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001335141182 1267359438 /nfs/dbraw/zinc/35/94/38/1267359438.db2.gz IBRCJQCCZHMHTM-JEZWAEDTSA-N 2 2 374.485 0.706 20 0 FCADLP CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001548419343 1267699179 /nfs/dbraw/zinc/69/91/79/1267699179.db2.gz AJYFVTDPESTXQE-IAGOWNOFSA-N 2 2 365.522 0.852 20 0 FCADLP CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001548419343 1267699185 /nfs/dbraw/zinc/69/91/85/1267699185.db2.gz AJYFVTDPESTXQE-IAGOWNOFSA-N 2 2 365.522 0.852 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001549152657 1267831090 /nfs/dbraw/zinc/83/10/90/1267831090.db2.gz FTEICXZRVVFFEC-ZJOBFFGXSA-N 2 2 362.478 0.912 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549155757 1267833756 /nfs/dbraw/zinc/83/37/56/1267833756.db2.gz NFMGOOGJKJOLJS-FHIRATQRSA-N 2 2 362.478 0.768 20 0 FCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549155757 1267833774 /nfs/dbraw/zinc/83/37/74/1267833774.db2.gz NFMGOOGJKJOLJS-FHIRATQRSA-N 2 2 362.478 0.768 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001549158319 1267837842 /nfs/dbraw/zinc/83/78/42/1267837842.db2.gz IVTWFMHEGBHEFS-AYMQEEERSA-N 2 2 360.462 0.666 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001549158319 1267837859 /nfs/dbraw/zinc/83/78/59/1267837859.db2.gz IVTWFMHEGBHEFS-AYMQEEERSA-N 2 2 360.462 0.666 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549159115 1267839547 /nfs/dbraw/zinc/83/95/47/1267839547.db2.gz SZJKVXKDYBNVIJ-YOEHRIQHSA-N 2 2 362.478 0.723 20 0 FCADLP Cc1cnn([C@@H]2[C@H](O)C[C@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC001549190834 1267856468 /nfs/dbraw/zinc/85/64/68/1267856468.db2.gz XTMJTRHPUJDSNW-ZACQAIPSSA-N 2 2 357.462 0.197 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001549240758 1267871323 /nfs/dbraw/zinc/87/13/23/1267871323.db2.gz OQXOEAXXOTUKGX-HEHGZKQESA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001549240758 1267871338 /nfs/dbraw/zinc/87/13/38/1267871338.db2.gz OQXOEAXXOTUKGX-HEHGZKQESA-N 2 2 362.478 0.912 20 0 FCADLP Cc1c([C@H]2C[N@H+](Cc3ncc(C[NH+](C)C)s3)C[C@H]2C(N)=O)cnn1C ZINC001549543277 1267950277 /nfs/dbraw/zinc/95/02/77/1267950277.db2.gz ZIJTXFWVIUNEHE-HUUCEWRRSA-N 2 2 362.503 0.948 20 0 FCADLP Cc1c([C@H]2C[N@@H+](Cc3ncc(C[NH+](C)C)s3)C[C@H]2C(N)=O)cnn1C ZINC001549543277 1267950280 /nfs/dbraw/zinc/95/02/80/1267950280.db2.gz ZIJTXFWVIUNEHE-HUUCEWRRSA-N 2 2 362.503 0.948 20 0 FCADLP C[NH+](C)[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549559705 1267955254 /nfs/dbraw/zinc/95/52/54/1267955254.db2.gz DAKYAMHYZSPFPJ-LSDHHAIUSA-N 2 2 372.477 0.411 20 0 FCADLP C[NH+](C)[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1n1ccnn1 ZINC001549559703 1267955721 /nfs/dbraw/zinc/95/57/21/1267955721.db2.gz DAKYAMHYZSPFPJ-GJZGRUSLSA-N 2 2 372.477 0.411 20 0 FCADLP CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC001549880175 1268013720 /nfs/dbraw/zinc/01/37/20/1268013720.db2.gz CGUKHSRSPDIMSX-LSDHHAIUSA-N 2 2 361.446 0.408 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001549995110 1268035327 /nfs/dbraw/zinc/03/53/27/1268035327.db2.gz BSYQWGRFHOSEFQ-RCCFBDPRSA-N 2 2 352.523 0.724 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001549995110 1268035340 /nfs/dbraw/zinc/03/53/40/1268035340.db2.gz BSYQWGRFHOSEFQ-RCCFBDPRSA-N 2 2 352.523 0.724 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H](N4CC[NH+](C)CC4)C3)ccn2)CC1 ZINC001550006197 1268044910 /nfs/dbraw/zinc/04/49/10/1268044910.db2.gz ZECIBMZTIHVTLC-GOSISDBHSA-N 2 2 372.517 0.295 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2)CC1 ZINC001550006523 1268046443 /nfs/dbraw/zinc/04/64/43/1268046443.db2.gz DXAJFVUDNVPPTB-OALUTQOASA-N 2 2 357.502 0.894 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2)CC1 ZINC001550006523 1268046454 /nfs/dbraw/zinc/04/64/54/1268046454.db2.gz DXAJFVUDNVPPTB-OALUTQOASA-N 2 2 357.502 0.894 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)nn1 ZINC001550095933 1268073759 /nfs/dbraw/zinc/07/37/59/1268073759.db2.gz RJNJVPXDKXUAOY-RYUDHWBXSA-N 2 2 357.340 0.900 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@]3([NH3+])CCN(C(C)=O)C3)CC2)cc1 ZINC001550193943 1268089999 /nfs/dbraw/zinc/08/99/99/1268089999.db2.gz AOJRESQPVUGDOC-FQEVSTJZSA-N 2 2 358.486 0.843 20 0 FCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCc2cnn3c2C[NH2+]CC3)cc1 ZINC001550283907 1268104560 /nfs/dbraw/zinc/10/45/60/1268104560.db2.gz JROWUAISRRFBNZ-KRWDZBQOSA-N 2 2 370.457 0.851 20 0 FCADLP Cc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC(=O)N[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001550726522 1268156874 /nfs/dbraw/zinc/15/68/74/1268156874.db2.gz HHTDBVPJFRBUSQ-CVEARBPZSA-N 2 2 372.473 0.362 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC001550756233 1268163002 /nfs/dbraw/zinc/16/30/02/1268163002.db2.gz PODXFLZHMQKHRC-HZPDHXFCSA-N 2 2 352.479 0.261 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC001551596336 1268282418 /nfs/dbraw/zinc/28/24/18/1268282418.db2.gz SUTTVBMZZMFODY-INMHGKMJSA-N 2 2 374.489 0.566 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936291 1268312772 /nfs/dbraw/zinc/31/27/72/1268312772.db2.gz GLFILKLPUYEIGU-BFHYXJOUSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936291 1268312784 /nfs/dbraw/zinc/31/27/84/1268312784.db2.gz GLFILKLPUYEIGU-BFHYXJOUSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)N(c2cc(N)nc[nH+]2)C1 ZINC001551938603 1268316372 /nfs/dbraw/zinc/31/63/72/1268316372.db2.gz KKZDBEZJMZZXJU-ZJIFWQFVSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)N(c2cc(N)nc[nH+]2)C1 ZINC001551938603 1268316385 /nfs/dbraw/zinc/31/63/85/1268316385.db2.gz KKZDBEZJMZZXJU-ZJIFWQFVSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551941646 1268319351 /nfs/dbraw/zinc/31/93/51/1268319351.db2.gz UNVNGVCBNGQDKV-HUUCEWRRSA-N 2 2 362.478 0.501 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001552124687 1268383206 /nfs/dbraw/zinc/38/32/06/1268383206.db2.gz NBVGHNSXMGJEKE-YYIAUSFCSA-N 2 2 359.474 0.947 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001552124687 1268383216 /nfs/dbraw/zinc/38/32/16/1268383216.db2.gz NBVGHNSXMGJEKE-YYIAUSFCSA-N 2 2 359.474 0.947 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nn1 ZINC001552166929 1268398407 /nfs/dbraw/zinc/39/84/07/1268398407.db2.gz DVOIZKZKLUDWDQ-CZUORRHYSA-N 2 2 359.434 0.109 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nn1 ZINC001552166929 1268398421 /nfs/dbraw/zinc/39/84/21/1268398421.db2.gz DVOIZKZKLUDWDQ-CZUORRHYSA-N 2 2 359.434 0.109 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc3n(n2)C[C@H](C)[NH2+]C3)CC1 ZINC001340042406 1268415129 /nfs/dbraw/zinc/41/51/29/1268415129.db2.gz XGWRPPSXKKXUQI-ZDUSSCGKSA-N 2 2 362.478 0.095 20 0 FCADLP O=C(NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC001552245541 1268419932 /nfs/dbraw/zinc/41/99/32/1268419932.db2.gz GSGYHCBROMDDMN-MGPQQGTHSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC001552245541 1268419937 /nfs/dbraw/zinc/41/99/37/1268419937.db2.gz GSGYHCBROMDDMN-MGPQQGTHSA-N 2 2 356.467 0.948 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001552311639 1268439101 /nfs/dbraw/zinc/43/91/01/1268439101.db2.gz AXVFNIJYWHWMCD-YYIAUSFCSA-N 2 2 354.495 0.384 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001552311639 1268439107 /nfs/dbraw/zinc/43/91/07/1268439107.db2.gz AXVFNIJYWHWMCD-YYIAUSFCSA-N 2 2 354.495 0.384 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580501677 1278411790 /nfs/dbraw/zinc/41/17/90/1278411790.db2.gz MLIQCXJLOWDWDZ-GFCCVEGCSA-N 2 2 368.445 0.983 20 0 FCADLP C[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C[C@@H]1[NH+]1CCOCC1 ZINC001552694139 1268523130 /nfs/dbraw/zinc/52/31/30/1268523130.db2.gz JCBGUCCXPSWSHQ-SRABZTEZSA-N 2 2 362.478 0.513 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)C[C@@H](C)O1 ZINC001552701127 1268524376 /nfs/dbraw/zinc/52/43/76/1268524376.db2.gz MGDKYQWXFPFSDU-PNBKFKSVSA-N 2 2 364.494 0.902 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001552712056 1268530156 /nfs/dbraw/zinc/53/01/56/1268530156.db2.gz DUPCRJYSXRMOSO-ROUUACIJSA-N 2 2 369.469 0.773 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001552712056 1268530161 /nfs/dbraw/zinc/53/01/61/1268530161.db2.gz DUPCRJYSXRMOSO-ROUUACIJSA-N 2 2 369.469 0.773 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C1 ZINC001552839165 1268557183 /nfs/dbraw/zinc/55/71/83/1268557183.db2.gz FXNFQLUSYUVTMU-LLVKDONJSA-N 2 2 358.393 0.201 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C1 ZINC001552839165 1268557187 /nfs/dbraw/zinc/55/71/87/1268557187.db2.gz FXNFQLUSYUVTMU-LLVKDONJSA-N 2 2 358.393 0.201 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552855325 1268560351 /nfs/dbraw/zinc/56/03/51/1268560351.db2.gz WPKZPSNFWPFFQQ-FMKPAKJESA-N 2 2 350.467 0.561 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552855325 1268560356 /nfs/dbraw/zinc/56/03/56/1268560356.db2.gz WPKZPSNFWPFFQQ-FMKPAKJESA-N 2 2 350.467 0.561 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CN3CC[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924532 1268566683 /nfs/dbraw/zinc/56/66/83/1268566683.db2.gz CBHHVNBVBJYRLP-RTBURBONSA-N 2 2 364.534 0.931 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC001553126683 1268594585 /nfs/dbraw/zinc/59/45/85/1268594585.db2.gz GDBOSXVGMAVDKY-DLBZAZTESA-N 2 2 351.491 0.953 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001553166188 1268601769 /nfs/dbraw/zinc/60/17/69/1268601769.db2.gz MJZTVWFRRJMVJN-IRXDYDNUSA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@H](O)C1 ZINC001553166188 1268601770 /nfs/dbraw/zinc/60/17/70/1268601770.db2.gz MJZTVWFRRJMVJN-IRXDYDNUSA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](O)C1 ZINC001553166188 1268601773 /nfs/dbraw/zinc/60/17/73/1268601773.db2.gz MJZTVWFRRJMVJN-IRXDYDNUSA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@H](O)C1 ZINC001553166188 1268601775 /nfs/dbraw/zinc/60/17/75/1268601775.db2.gz MJZTVWFRRJMVJN-IRXDYDNUSA-N 2 2 363.506 0.789 20 0 FCADLP O=C([C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC([NH2+]C2CCC2)CC1 ZINC001553170641 1268603410 /nfs/dbraw/zinc/60/34/10/1268603410.db2.gz OLZGHJYJUSOLNA-ZWKOTPCHSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1)Nc1ccccc1 ZINC001553405661 1268646116 /nfs/dbraw/zinc/64/61/16/1268646116.db2.gz FUAQBULHGZCTHP-OKZBNKHCSA-N 2 2 372.469 0.725 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001340776586 1268653694 /nfs/dbraw/zinc/65/36/94/1268653694.db2.gz KZVVCSQZDBEDRC-ZFWWWQNUSA-N 2 2 361.446 0.956 20 0 FCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001340822977 1268670028 /nfs/dbraw/zinc/67/00/28/1268670028.db2.gz KOQJNLVBROBXMP-WBVHZDCISA-N 2 2 350.488 0.276 20 0 FCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001553621013 1268670622 /nfs/dbraw/zinc/67/06/22/1268670622.db2.gz IMFOBGLFMKFGKT-TXTZMMAHSA-N 2 2 351.491 0.713 20 0 FCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001553621013 1268670633 /nfs/dbraw/zinc/67/06/33/1268670633.db2.gz IMFOBGLFMKFGKT-TXTZMMAHSA-N 2 2 351.491 0.713 20 0 FCADLP CC[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001340922522 1268711176 /nfs/dbraw/zinc/71/11/76/1268711176.db2.gz MIGUTUJVHUIADQ-BRWVUGGUSA-N 2 2 368.522 0.722 20 0 FCADLP CC[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001340922522 1268711182 /nfs/dbraw/zinc/71/11/82/1268711182.db2.gz MIGUTUJVHUIADQ-BRWVUGGUSA-N 2 2 368.522 0.722 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC[NH2+]C[C@H]2CO)c1 ZINC001340955015 1268722755 /nfs/dbraw/zinc/72/27/55/1268722755.db2.gz VDYVKTMWQWTTJG-INIZCTEOSA-N 2 2 357.414 0.318 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001554036183 1268746390 /nfs/dbraw/zinc/74/63/90/1268746390.db2.gz UBCQELFSLYLMRJ-NVXWUHKLSA-N 2 2 367.413 0.804 20 0 FCADLP [NH3+][C@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C12CCC2 ZINC001341554949 1269078318 /nfs/dbraw/zinc/07/83/18/1269078318.db2.gz UPNRKRMQNKUVBY-JKSUJKDBSA-N 2 2 371.485 0.897 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)[NH+](CC)CC ZINC001341642926 1269126935 /nfs/dbraw/zinc/12/69/35/1269126935.db2.gz FHQDIMXGDIZDLG-OWCLPIDISA-N 2 2 365.478 0.082 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC001341691762 1269152854 /nfs/dbraw/zinc/15/28/54/1269152854.db2.gz MFIUGWFISNPRGD-RBUKOAKNSA-N 2 2 353.507 0.711 20 0 FCADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001560327919 1269201611 /nfs/dbraw/zinc/20/16/11/1269201611.db2.gz ZTYSTIJRUNISGK-KRWDZBQOSA-N 2 2 367.515 0.586 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341959598 1269280369 /nfs/dbraw/zinc/28/03/69/1269280369.db2.gz UCWVWFMLVXUJJP-XOKHGSTOSA-N 2 2 372.473 0.192 20 0 FCADLP COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)sn1 ZINC001568579683 1269739982 /nfs/dbraw/zinc/73/99/82/1269739982.db2.gz GLYQOZSPNYNIKC-CYZMBNFOSA-N 2 2 365.459 0.256 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001569419163 1269784819 /nfs/dbraw/zinc/78/48/19/1269784819.db2.gz WFHTUZLXHGLFLW-BFHYXJOUSA-N 2 2 366.487 0.197 20 0 FCADLP CN(CC1CC[NH2+]CC1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001343568811 1269947965 /nfs/dbraw/zinc/94/79/65/1269947965.db2.gz MVAVHADFMRGWSI-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001573062936 1270584452 /nfs/dbraw/zinc/58/44/52/1270584452.db2.gz BOMABIDGOVUEAH-HZPDHXFCSA-N 2 2 361.490 0.754 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026488 1271004373 /nfs/dbraw/zinc/00/43/73/1271004373.db2.gz BSHALDQSFFGUJU-HOTGVXAUSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026488 1271004377 /nfs/dbraw/zinc/00/43/77/1271004377.db2.gz BSHALDQSFFGUJU-HOTGVXAUSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574259963 1271129344 /nfs/dbraw/zinc/12/93/44/1271129344.db2.gz DETXSGVYTMYIGW-CYBMUJFWSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574259963 1271129346 /nfs/dbraw/zinc/12/93/46/1271129346.db2.gz DETXSGVYTMYIGW-CYBMUJFWSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260580 1271132108 /nfs/dbraw/zinc/13/21/08/1271132108.db2.gz MWZIKKGMIXBNDA-AWEZNQCLSA-N 2 2 372.477 0.935 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260580 1271132114 /nfs/dbraw/zinc/13/21/14/1271132114.db2.gz MWZIKKGMIXBNDA-AWEZNQCLSA-N 2 2 372.477 0.935 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001574261857 1271137120 /nfs/dbraw/zinc/13/71/20/1271137120.db2.gz MGTFLRKEOAHSIF-UHFFFAOYSA-N 2 2 358.450 0.475 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001574261857 1271137129 /nfs/dbraw/zinc/13/71/29/1271137129.db2.gz MGTFLRKEOAHSIF-UHFFFAOYSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574612587 1271419672 /nfs/dbraw/zinc/41/96/72/1271419672.db2.gz IHFGZBMQGVYAAY-GFCCVEGCSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCc1c[nH+]cn1C ZINC001574670825 1271471916 /nfs/dbraw/zinc/47/19/16/1271471916.db2.gz DOLWNHSIUCCDPL-GFCCVEGCSA-N 2 2 369.433 0.357 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001575060093 1271703114 /nfs/dbraw/zinc/70/31/14/1271703114.db2.gz SCWDERRQZNLDTC-VQIMIIECSA-N 2 2 359.474 0.183 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001575060088 1271703822 /nfs/dbraw/zinc/70/38/22/1271703822.db2.gz SCWDERRQZNLDTC-QFBILLFUSA-N 2 2 359.474 0.183 20 0 FCADLP CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001575199016 1271782650 /nfs/dbraw/zinc/78/26/50/1271782650.db2.gz VOEJDEUUHGLTPO-AWEZNQCLSA-N 2 2 356.467 0.162 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575294706 1271883210 /nfs/dbraw/zinc/88/32/10/1271883210.db2.gz URJHNVBUIGGHNA-CYBMUJFWSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001575378221 1272021433 /nfs/dbraw/zinc/02/14/33/1272021433.db2.gz FQHAMZLAZGRRKU-NEPJUHHUSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575384879 1272027790 /nfs/dbraw/zinc/02/77/90/1272027790.db2.gz KPMCEHOMBAYUGZ-RYUDHWBXSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575388794 1272035740 /nfs/dbraw/zinc/03/57/40/1272035740.db2.gz RADDIMIZOCYILB-GHMZBOCLSA-N 2 2 360.447 0.808 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575398777 1272046425 /nfs/dbraw/zinc/04/64/25/1272046425.db2.gz FMWSLEPNLJDZLH-NWDGAFQWSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001575402291 1272051674 /nfs/dbraw/zinc/05/16/74/1272051674.db2.gz TUWVNPFJABQYPK-OLZOCXBDSA-N 2 2 354.418 0.746 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575401827 1272052141 /nfs/dbraw/zinc/05/21/41/1272052141.db2.gz QWSJTBYEWDLTSS-VXGBXAGGSA-N 2 2 354.418 0.815 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2c[nH]nn2)CC1 ZINC001575421289 1272083582 /nfs/dbraw/zinc/08/35/82/1272083582.db2.gz SMJCWOILZIRVQQ-HNNXBMFYSA-N 2 2 350.467 0.121 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]Cc2c[nH]nn2)CC1 ZINC001575421289 1272083590 /nfs/dbraw/zinc/08/35/90/1272083590.db2.gz SMJCWOILZIRVQQ-HNNXBMFYSA-N 2 2 350.467 0.121 20 0 FCADLP C[C@@H]([NH2+]Cc1c[nH]nn1)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001575695975 1272314538 /nfs/dbraw/zinc/31/45/38/1272314538.db2.gz KQLVFXBKMNEDNL-PBHICJAKSA-N 2 2 364.494 0.775 20 0 FCADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575702767 1272327271 /nfs/dbraw/zinc/32/72/71/1272327271.db2.gz MPSKXHZKDISGQH-CQSZACIVSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001575997915 1272676305 /nfs/dbraw/zinc/67/63/05/1272676305.db2.gz DDAXMJXAOJPUDU-GOSISDBHSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575997915 1272676315 /nfs/dbraw/zinc/67/63/15/1272676315.db2.gz DDAXMJXAOJPUDU-GOSISDBHSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@H+](CCc2c[nH]nn2)C1 ZINC001575997915 1272676319 /nfs/dbraw/zinc/67/63/19/1272676319.db2.gz DDAXMJXAOJPUDU-GOSISDBHSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575997915 1272676323 /nfs/dbraw/zinc/67/63/23/1272676323.db2.gz DDAXMJXAOJPUDU-GOSISDBHSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576017853 1272717527 /nfs/dbraw/zinc/71/75/27/1272717527.db2.gz CPZXYWFYDBUUET-PWSUYJOCSA-N 2 2 372.458 0.973 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021004 1272723956 /nfs/dbraw/zinc/72/39/56/1272723956.db2.gz HVYVBHQWCJFMLZ-LRDDRELGSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001576103414 1272890838 /nfs/dbraw/zinc/89/08/38/1272890838.db2.gz BZXJRGQKFMSRNU-HOCLYGCPSA-N 2 2 350.467 0.242 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499415 1273361058 /nfs/dbraw/zinc/36/10/58/1273361058.db2.gz KCZFQKZXUCRESU-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499415 1273361066 /nfs/dbraw/zinc/36/10/66/1273361066.db2.gz KCZFQKZXUCRESU-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499523 1273361894 /nfs/dbraw/zinc/36/18/94/1273361894.db2.gz RRDJYKYYTAJNFA-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499523 1273361900 /nfs/dbraw/zinc/36/19/00/1273361900.db2.gz RRDJYKYYTAJNFA-YPMHNXCESA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C)[NH+](C)C ZINC001576509083 1273382259 /nfs/dbraw/zinc/38/22/59/1273382259.db2.gz UKFXPFSSDAVZLY-XBFCOCLRSA-N 2 2 358.450 0.685 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557682 1273436718 /nfs/dbraw/zinc/43/67/18/1273436718.db2.gz SRTJVGMIJOTPLW-HOTGVXAUSA-N 2 2 362.478 0.181 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557682 1273436721 /nfs/dbraw/zinc/43/67/21/1273436721.db2.gz SRTJVGMIJOTPLW-HOTGVXAUSA-N 2 2 362.478 0.181 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558029 1273439921 /nfs/dbraw/zinc/43/99/21/1273439921.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558029 1273439927 /nfs/dbraw/zinc/43/99/27/1273439927.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCc2cn[nH]n2)C1 ZINC001576558029 1273439934 /nfs/dbraw/zinc/43/99/34/1273439934.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCc2cn[nH]n2)C1 ZINC001576558029 1273439939 /nfs/dbraw/zinc/43/99/39/1273439939.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558029 1273439944 /nfs/dbraw/zinc/43/99/44/1273439944.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558029 1273439947 /nfs/dbraw/zinc/43/99/47/1273439947.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCc2c[nH]nn2)C1 ZINC001576558029 1273439955 /nfs/dbraw/zinc/43/99/55/1273439955.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCc2c[nH]nn2)C1 ZINC001576558029 1273439960 /nfs/dbraw/zinc/43/99/60/1273439960.db2.gz VHJQVGYYXRSMED-BBWFWOEESA-N 2 2 362.478 0.133 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H](F)C1C[NH2+]C1 ZINC001580719033 1278792733 /nfs/dbraw/zinc/79/27/33/1278792733.db2.gz XKLXYMAOASREAC-KRWDZBQOSA-N 2 2 351.422 0.571 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@H](C)O1 ZINC001576798869 1273704452 /nfs/dbraw/zinc/70/44/52/1273704452.db2.gz XTYAGRKKESYZHG-BETUJISGSA-N 2 2 350.467 0.996 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@H](C)O1 ZINC001576798869 1273704457 /nfs/dbraw/zinc/70/44/57/1273704457.db2.gz XTYAGRKKESYZHG-BETUJISGSA-N 2 2 350.467 0.996 20 0 FCADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576812523 1273727515 /nfs/dbraw/zinc/72/75/15/1273727515.db2.gz LMASTCQQJCVFBW-GFCCVEGCSA-N 2 2 355.406 0.277 20 0 FCADLP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576825294 1273749811 /nfs/dbraw/zinc/74/98/11/1273749811.db2.gz VGMSVRRKCZKEIA-GFCCVEGCSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576825294 1273749817 /nfs/dbraw/zinc/74/98/17/1273749817.db2.gz VGMSVRRKCZKEIA-GFCCVEGCSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576835353 1273763640 /nfs/dbraw/zinc/76/36/40/1273763640.db2.gz MQKOEULKGNZCCT-LBPRGKRZSA-N 2 2 369.433 0.573 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576836035 1273768822 /nfs/dbraw/zinc/76/88/22/1273768822.db2.gz VTLNTEVTZBKXLY-OAHLLOKOSA-N 2 2 354.418 0.748 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576836405 1273771392 /nfs/dbraw/zinc/77/13/92/1273771392.db2.gz NNDGOAYGXBAXAE-OAHLLOKOSA-N 2 2 368.445 0.827 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(CC[NH2+]CCc3cn[nH]n3)cc2)C1 ZINC001576888322 1273878807 /nfs/dbraw/zinc/87/88/07/1273878807.db2.gz BNIUPPNPCNKNPX-GOSISDBHSA-N 2 2 372.473 0.126 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(CC[NH2+]CCc3cn[nH]n3)cc2)C1 ZINC001576888322 1273878813 /nfs/dbraw/zinc/87/88/13/1273878813.db2.gz BNIUPPNPCNKNPX-GOSISDBHSA-N 2 2 372.473 0.126 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(CC[NH2+]CCc3c[nH]nn3)cc2)C1 ZINC001576888322 1273878824 /nfs/dbraw/zinc/87/88/24/1273878824.db2.gz BNIUPPNPCNKNPX-GOSISDBHSA-N 2 2 372.473 0.126 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(CC[NH2+]CCc3c[nH]nn3)cc2)C1 ZINC001576888322 1273878834 /nfs/dbraw/zinc/87/88/34/1273878834.db2.gz BNIUPPNPCNKNPX-GOSISDBHSA-N 2 2 372.473 0.126 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562964 1274516826 /nfs/dbraw/zinc/51/68/26/1274516826.db2.gz IYHGUJKCKKCLBS-OAHLLOKOSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562964 1274516827 /nfs/dbraw/zinc/51/68/27/1274516827.db2.gz IYHGUJKCKKCLBS-OAHLLOKOSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562964 1274516832 /nfs/dbraw/zinc/51/68/32/1274516832.db2.gz IYHGUJKCKKCLBS-OAHLLOKOSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562964 1274516835 /nfs/dbraw/zinc/51/68/35/1274516835.db2.gz IYHGUJKCKKCLBS-OAHLLOKOSA-N 2 2 357.462 0.899 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@H+](CCc4c[nH]nn4)C[C@H]31)CC2 ZINC001577571696 1274535031 /nfs/dbraw/zinc/53/50/31/1274535031.db2.gz HVTRIVFVWSBZLK-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CCc4c[nH]nn4)C[C@H]31)CC2 ZINC001577571696 1274535038 /nfs/dbraw/zinc/53/50/38/1274535038.db2.gz HVTRIVFVWSBZLK-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@H+](CCc4cn[nH]n4)C[C@H]31)CC2 ZINC001577571696 1274535044 /nfs/dbraw/zinc/53/50/44/1274535044.db2.gz HVTRIVFVWSBZLK-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CCc4cn[nH]n4)C[C@H]31)CC2 ZINC001577571696 1274535048 /nfs/dbraw/zinc/53/50/48/1274535048.db2.gz HVTRIVFVWSBZLK-RVKKMQEKSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCc3cn[nH]n3)C1)CC2 ZINC001577572404 1274535722 /nfs/dbraw/zinc/53/57/22/1274535722.db2.gz UCIWENDABDUJBN-HOTGVXAUSA-N 2 2 371.489 0.943 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCc3c[nH]nn3)C1)CC2 ZINC001577572404 1274535731 /nfs/dbraw/zinc/53/57/31/1274535731.db2.gz UCIWENDABDUJBN-HOTGVXAUSA-N 2 2 371.489 0.943 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+](CCc3cn[nH]n3)CC1)CC2 ZINC001577572524 1274536399 /nfs/dbraw/zinc/53/63/99/1274536399.db2.gz XUYFZFGVSAJTFZ-CQSZACIVSA-N 2 2 357.462 0.695 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+](CCc3c[nH]nn3)CC1)CC2 ZINC001577572524 1274536402 /nfs/dbraw/zinc/53/64/02/1274536402.db2.gz XUYFZFGVSAJTFZ-CQSZACIVSA-N 2 2 357.462 0.695 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577855274 1275005305 /nfs/dbraw/zinc/00/53/05/1275005305.db2.gz AJOANVZRJFAAKF-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001577855274 1275005310 /nfs/dbraw/zinc/00/53/10/1275005310.db2.gz AJOANVZRJFAAKF-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1cn[nH]n1 ZINC001577872860 1275063254 /nfs/dbraw/zinc/06/32/54/1275063254.db2.gz OJCBBPJVQTVMBT-SJORKVTESA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1cn[nH]n1 ZINC001577872860 1275063256 /nfs/dbraw/zinc/06/32/56/1275063256.db2.gz OJCBBPJVQTVMBT-SJORKVTESA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1c[nH]nn1 ZINC001577872860 1275063258 /nfs/dbraw/zinc/06/32/58/1275063258.db2.gz OJCBBPJVQTVMBT-SJORKVTESA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1c[nH]nn1 ZINC001577872860 1275063259 /nfs/dbraw/zinc/06/32/59/1275063259.db2.gz OJCBBPJVQTVMBT-SJORKVTESA-N 2 2 362.478 0.135 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001578110089 1275412698 /nfs/dbraw/zinc/41/26/98/1275412698.db2.gz VPUSUTLLMJOJRX-UHFFFAOYSA-N 2 2 355.406 0.218 20 0 FCADLP CCc1nnc(N2CCO[C@H](C[NH3+])C2)n1CCc1cn2ccccc2[nH+]1 ZINC001578326682 1275672046 /nfs/dbraw/zinc/67/20/46/1275672046.db2.gz NCKZLOZCMAIGOK-OAHLLOKOSA-N 2 2 355.446 0.895 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(C2CCC2)n1CC(F)(F)C[NH3+] ZINC001578474369 1275885721 /nfs/dbraw/zinc/88/57/21/1275885721.db2.gz VZGJDYBBMRNCLW-UHFFFAOYSA-N 2 2 358.437 0.908 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C2)CC1 ZINC001578533418 1275964932 /nfs/dbraw/zinc/96/49/32/1275964932.db2.gz GTBCIGUMOXCSFX-SFHVURJKSA-N 2 2 355.486 0.744 20 0 FCADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539849 1275968842 /nfs/dbraw/zinc/96/88/42/1275968842.db2.gz GWOPDAFPWOVMQH-JYJNAYRXSA-N 2 2 353.850 0.816 20 0 FCADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539849 1275968845 /nfs/dbraw/zinc/96/88/45/1275968845.db2.gz GWOPDAFPWOVMQH-JYJNAYRXSA-N 2 2 353.850 0.816 20 0 FCADLP C[NH2+][C@H]1CCN(c2nnc(C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001578611914 1276047671 /nfs/dbraw/zinc/04/76/71/1276047671.db2.gz MMPRFGBEOOAZRP-INIZCTEOSA-N 2 2 357.462 0.665 20 0 FCADLP C[NH2+]CCCn1c(-c2cnccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578694096 1276154787 /nfs/dbraw/zinc/15/47/87/1276154787.db2.gz IDBDCRDXGGLVJV-UHFFFAOYSA-N 2 2 360.466 0.113 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CCOc3ccccc32)CC12C[NH2+]C2 ZINC001578795868 1276283788 /nfs/dbraw/zinc/28/37/88/1276283788.db2.gz DVQMSPDTUUCNLN-AWEZNQCLSA-N 2 2 359.426 0.497 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CCOc3ccccc32)CC12C[NH2+]C2 ZINC001578795868 1276283792 /nfs/dbraw/zinc/28/37/92/1276283792.db2.gz DVQMSPDTUUCNLN-AWEZNQCLSA-N 2 2 359.426 0.497 20 0 FCADLP COC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001578804802 1276293462 /nfs/dbraw/zinc/29/34/62/1276293462.db2.gz FDOFDNNPRFRHMJ-KSSFIOAISA-N 2 2 356.463 0.962 20 0 FCADLP COC(=O)CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001578804802 1276293464 /nfs/dbraw/zinc/29/34/64/1276293464.db2.gz FDOFDNNPRFRHMJ-KSSFIOAISA-N 2 2 356.463 0.962 20 0 FCADLP COC(=O)CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001578804801 1276293937 /nfs/dbraw/zinc/29/39/37/1276293937.db2.gz FDOFDNNPRFRHMJ-KDOFPFPSSA-N 2 2 356.463 0.962 20 0 FCADLP COC(=O)CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001578804801 1276293942 /nfs/dbraw/zinc/29/39/42/1276293942.db2.gz FDOFDNNPRFRHMJ-KDOFPFPSSA-N 2 2 356.463 0.962 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001578829108 1276340041 /nfs/dbraw/zinc/34/00/41/1276340041.db2.gz FKOBTYVWWYJWEI-MRXNPFEDSA-N 2 2 356.426 0.931 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001578829108 1276340047 /nfs/dbraw/zinc/34/00/47/1276340047.db2.gz FKOBTYVWWYJWEI-MRXNPFEDSA-N 2 2 356.426 0.931 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578887049 1276422814 /nfs/dbraw/zinc/42/28/14/1276422814.db2.gz QWNAEYGBUCAGMC-HNNXBMFYSA-N 2 2 367.417 0.229 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578965645 1276509463 /nfs/dbraw/zinc/50/94/63/1276509463.db2.gz WJIHLOABKQYXJC-LBPRGKRZSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+](CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579006417 1276578211 /nfs/dbraw/zinc/57/82/11/1276578211.db2.gz AMYLQRJKFXFPIF-UHFFFAOYSA-N 2 2 356.434 0.395 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579006417 1276578218 /nfs/dbraw/zinc/57/82/18/1276578218.db2.gz AMYLQRJKFXFPIF-UHFFFAOYSA-N 2 2 356.434 0.395 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]([NH3+])CC(F)(F)F)CC1 ZINC001579016339 1276592885 /nfs/dbraw/zinc/59/28/85/1276592885.db2.gz RNXSPQPAABKIML-QWHCGFSZSA-N 2 2 354.417 0.425 20 0 FCADLP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[NH+]1CCCC1 ZINC001579019281 1276596891 /nfs/dbraw/zinc/59/68/91/1276596891.db2.gz XMUFRMMXZQHBFO-UHFFFAOYSA-N 2 2 372.477 0.676 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083735 1276712888 /nfs/dbraw/zinc/71/28/88/1276712888.db2.gz WELGSELTINEYKA-XJKSGUPXSA-N 2 2 370.461 0.641 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083735 1276712899 /nfs/dbraw/zinc/71/28/99/1276712899.db2.gz WELGSELTINEYKA-XJKSGUPXSA-N 2 2 370.461 0.641 20 0 FCADLP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001579127654 1276812262 /nfs/dbraw/zinc/81/22/62/1276812262.db2.gz WKERLIFXNIARKP-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579247103 1277047223 /nfs/dbraw/zinc/04/72/23/1277047223.db2.gz PTZPCBAUJOUGBJ-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579247103 1277047224 /nfs/dbraw/zinc/04/72/24/1277047224.db2.gz PTZPCBAUJOUGBJ-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579323878 1277141704 /nfs/dbraw/zinc/14/17/04/1277141704.db2.gz YSEVHHJOIWRCID-UHFFFAOYSA-N 2 2 369.473 0.851 20 0 FCADLP C[NH+]1CCC(CC(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001579345491 1277196597 /nfs/dbraw/zinc/19/65/97/1277196597.db2.gz WNJNEIVIJFSRAC-UHFFFAOYSA-N 2 2 369.473 0.899 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001579348344 1277203387 /nfs/dbraw/zinc/20/33/87/1277203387.db2.gz BABDKQQFUDHHLZ-CQSZACIVSA-N 2 2 372.477 0.446 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)n1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001579348344 1277203405 /nfs/dbraw/zinc/20/34/05/1277203405.db2.gz BABDKQQFUDHHLZ-CQSZACIVSA-N 2 2 372.477 0.446 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[NH+]2CCC3(C[NH2+]C3)CC2)cc1 ZINC001579350346 1277205783 /nfs/dbraw/zinc/20/57/83/1277205783.db2.gz ONSHVHMCRXWOSG-UHFFFAOYSA-N 2 2 351.472 0.392 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579355731 1277220394 /nfs/dbraw/zinc/22/03/94/1277220394.db2.gz GLVAZFLURFRGKP-MRXNPFEDSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579355731 1277220401 /nfs/dbraw/zinc/22/04/01/1277220401.db2.gz GLVAZFLURFRGKP-MRXNPFEDSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356774 1277221581 /nfs/dbraw/zinc/22/15/81/1277221581.db2.gz NAEKZKPHNBRJCA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356774 1277221586 /nfs/dbraw/zinc/22/15/86/1277221586.db2.gz NAEKZKPHNBRJCA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356774 1277221592 /nfs/dbraw/zinc/22/15/92/1277221592.db2.gz NAEKZKPHNBRJCA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356774 1277221595 /nfs/dbraw/zinc/22/15/95/1277221595.db2.gz NAEKZKPHNBRJCA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356591 1277222709 /nfs/dbraw/zinc/22/27/09/1277222709.db2.gz LUABPPZPDSMXAT-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356591 1277222711 /nfs/dbraw/zinc/22/27/11/1277222711.db2.gz LUABPPZPDSMXAT-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356591 1277222712 /nfs/dbraw/zinc/22/27/12/1277222712.db2.gz LUABPPZPDSMXAT-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001579356591 1277222715 /nfs/dbraw/zinc/22/27/15/1277222715.db2.gz LUABPPZPDSMXAT-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358550 1277226778 /nfs/dbraw/zinc/22/67/78/1277226778.db2.gz GCBCNQDRNDYRIG-KOHJWAIASA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358550 1277226782 /nfs/dbraw/zinc/22/67/82/1277226782.db2.gz GCBCNQDRNDYRIG-KOHJWAIASA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358635 1277226956 /nfs/dbraw/zinc/22/69/56/1277226956.db2.gz HAOJKPKQOXURCZ-HUUCEWRRSA-N 2 2 370.461 0.687 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358635 1277226958 /nfs/dbraw/zinc/22/69/58/1277226958.db2.gz HAOJKPKQOXURCZ-HUUCEWRRSA-N 2 2 370.461 0.687 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358570 1277226995 /nfs/dbraw/zinc/22/69/95/1277226995.db2.gz GHVJUZUZAALKQS-XJKSGUPXSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358570 1277226996 /nfs/dbraw/zinc/22/69/96/1277226996.db2.gz GHVJUZUZAALKQS-XJKSGUPXSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358436 1277227349 /nfs/dbraw/zinc/22/73/49/1277227349.db2.gz DNUGITGFFQZTNO-HUUCEWRRSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579358436 1277227354 /nfs/dbraw/zinc/22/73/54/1277227354.db2.gz DNUGITGFFQZTNO-HUUCEWRRSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359495 1277233451 /nfs/dbraw/zinc/23/34/51/1277233451.db2.gz WGCJETTYNAJJAX-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359495 1277233452 /nfs/dbraw/zinc/23/34/52/1277233452.db2.gz WGCJETTYNAJJAX-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359495 1277233454 /nfs/dbraw/zinc/23/34/54/1277233454.db2.gz WGCJETTYNAJJAX-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579359495 1277233456 /nfs/dbraw/zinc/23/34/56/1277233456.db2.gz WGCJETTYNAJJAX-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366127 1277245734 /nfs/dbraw/zinc/24/57/34/1277245734.db2.gz NTYNDMAJERZMSQ-XJKSGUPXSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366127 1277245735 /nfs/dbraw/zinc/24/57/35/1277245735.db2.gz NTYNDMAJERZMSQ-XJKSGUPXSA-N 2 2 370.461 0.571 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001579966201 1277981945 /nfs/dbraw/zinc/98/19/45/1277981945.db2.gz WWFHQJLHQVWMFN-NSHDSACASA-N 2 2 370.417 0.435 20 0 FCADLP O=S(=O)(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1CC[NH2+]CC1 ZINC001580869758 1279073147 /nfs/dbraw/zinc/07/31/47/1279073147.db2.gz GEYOLZGLAIOIAD-UHFFFAOYSA-N 2 2 355.851 0.765 20 0 FCADLP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989113 1279189699 /nfs/dbraw/zinc/18/96/99/1279189699.db2.gz MPRSXVVQQNASHZ-GHMZBOCLSA-N 2 2 355.406 0.263 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580992891 1279198208 /nfs/dbraw/zinc/19/82/08/1279198208.db2.gz AYBWDMUIAWLIGG-NSHDSACASA-N 2 2 369.433 0.525 20 0 FCADLP Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002370 1279217397 /nfs/dbraw/zinc/21/73/97/1279217397.db2.gz PNDFZLFINONTDG-QWHCGFSZSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(N[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581008744 1279231844 /nfs/dbraw/zinc/23/18/44/1279231844.db2.gz PGVKQRRILRAGPZ-BMIGLBTASA-N 2 2 367.417 0.217 20 0 FCADLP Cc1cc(NC[C@H](C)CNC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581009995 1279235421 /nfs/dbraw/zinc/23/54/21/1279235421.db2.gz BHEMDBZWWRKZKK-LBPRGKRZSA-N 2 2 369.433 0.443 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581013354 1279240449 /nfs/dbraw/zinc/24/04/49/1279240449.db2.gz NLRUEEQDDCJOEO-JTQLQIEISA-N 2 2 369.433 0.430 20 0 FCADLP Cc1cc(NC[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581016015 1279243806 /nfs/dbraw/zinc/24/38/06/1279243806.db2.gz GODZCMDRKSFQHZ-OAHLLOKOSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1cc(NCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581024548 1279256479 /nfs/dbraw/zinc/25/64/79/1279256479.db2.gz CRGUQXKMZFVEDP-SNVBAGLBSA-N 2 2 355.406 0.265 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001715588159 1287356602 /nfs/dbraw/zinc/35/66/02/1287356602.db2.gz WCUSAOVYJLQPJG-LERXQTSPSA-N 2 2 369.491 0.008 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001715588159 1287356607 /nfs/dbraw/zinc/35/66/07/1287356607.db2.gz WCUSAOVYJLQPJG-LERXQTSPSA-N 2 2 369.491 0.008 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001581338376 1279718270 /nfs/dbraw/zinc/71/82/70/1279718270.db2.gz YLFJLEXZEIPIBA-TZMCWYRMSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581338443 1279718718 /nfs/dbraw/zinc/71/87/18/1279718718.db2.gz KMPIHNZSWOJWQE-LLVKDONJSA-N 2 2 355.406 0.195 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001581339384 1279719511 /nfs/dbraw/zinc/71/95/11/1279719511.db2.gz FEBSEISGZAPLAA-OAHLLOKOSA-N 2 2 369.433 0.441 20 0 FCADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001716695285 1287387322 /nfs/dbraw/zinc/38/73/22/1287387322.db2.gz NFZCKEMLJXRCEC-CVEARBPZSA-N 2 2 369.473 0.294 20 0 FCADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001716695285 1287387326 /nfs/dbraw/zinc/38/73/26/1287387326.db2.gz NFZCKEMLJXRCEC-CVEARBPZSA-N 2 2 369.473 0.294 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562767 1280137015 /nfs/dbraw/zinc/13/70/15/1280137015.db2.gz BYJOOBNVKCRYPC-NSHDSACASA-N 2 2 355.406 0.053 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581815139 1280561517 /nfs/dbraw/zinc/56/15/17/1280561517.db2.gz UDNOLTUSYLVUEF-GASCZTMLSA-N 2 2 366.429 0.580 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581814934 1280562037 /nfs/dbraw/zinc/56/20/37/1280562037.db2.gz LRYVZBHPEXFGPG-GFCCVEGCSA-N 2 2 367.417 0.063 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581817642 1280563695 /nfs/dbraw/zinc/56/36/95/1280563695.db2.gz JREQSEVAYVKUSW-TXEJJXNPSA-N 2 2 367.417 0.109 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582089914 1281045590 /nfs/dbraw/zinc/04/55/90/1281045590.db2.gz FCJBXWBEIXOUBL-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582089914 1281045594 /nfs/dbraw/zinc/04/55/94/1281045594.db2.gz FCJBXWBEIXOUBL-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582090190 1281047388 /nfs/dbraw/zinc/04/73/88/1281047388.db2.gz NRRRXEHZVDSCOO-ZDUSSCGKSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582169072 1281134310 /nfs/dbraw/zinc/13/43/10/1281134310.db2.gz CFOAXNOYPHYSRN-AWEZNQCLSA-N 2 2 352.402 0.523 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582169590 1281136518 /nfs/dbraw/zinc/13/65/18/1281136518.db2.gz ZWQPKTBDERLEKH-CQSZACIVSA-N 2 2 352.402 0.523 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001582183039 1281161322 /nfs/dbraw/zinc/16/13/22/1281161322.db2.gz TUASWAVRFUGEIO-UHFFFAOYSA-N 2 2 372.458 0.975 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582183543 1281162547 /nfs/dbraw/zinc/16/25/47/1281162547.db2.gz XVGIBAFAMUYELP-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001582194873 1281175128 /nfs/dbraw/zinc/17/51/28/1281175128.db2.gz AEGKUMGVPOCKHP-BETUJISGSA-N 2 2 365.401 0.053 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582195038 1281175692 /nfs/dbraw/zinc/17/56/92/1281175692.db2.gz HOJOLYJXSUWCFF-OAHLLOKOSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCCC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582197287 1281180457 /nfs/dbraw/zinc/18/04/57/1281180457.db2.gz KPZFKOIHPWVQOK-UHFFFAOYSA-N 2 2 367.417 0.279 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197091 1281181299 /nfs/dbraw/zinc/18/12/99/1281181299.db2.gz DMSQJRGOAHHZOL-CTYIDZIISA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582197724 1281183320 /nfs/dbraw/zinc/18/33/20/1281183320.db2.gz XHBHSHDNGDXUOO-LBPRGKRZSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001582197724 1281183322 /nfs/dbraw/zinc/18/33/22/1281183322.db2.gz XHBHSHDNGDXUOO-LBPRGKRZSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582198213 1281184955 /nfs/dbraw/zinc/18/49/55/1281184955.db2.gz QJZWNQBWBKSJOY-KOMQPUFPSA-N 2 2 366.429 0.748 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001632664218 1282196448 /nfs/dbraw/zinc/19/64/48/1282196448.db2.gz LSJVQHWGWBADET-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001632664218 1282196451 /nfs/dbraw/zinc/19/64/51/1282196451.db2.gz LSJVQHWGWBADET-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)(C)OC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589155805 1282810450 /nfs/dbraw/zinc/81/04/50/1282810450.db2.gz JXQBIJMSPRNDAS-UHFFFAOYSA-N 2 2 359.434 0.902 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001589828700 1283067957 /nfs/dbraw/zinc/06/79/57/1283067957.db2.gz GTDAYVXIWBTRJP-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001589932596 1283136032 /nfs/dbraw/zinc/13/60/32/1283136032.db2.gz AHMJWBGGUBASQG-GFCCVEGCSA-N 2 2 358.450 0.650 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001589934066 1283138108 /nfs/dbraw/zinc/13/81/08/1283138108.db2.gz MJBOMULRBXVXQL-GFCCVEGCSA-N 2 2 358.450 0.650 20 0 FCADLP C[C@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307977 1283453268 /nfs/dbraw/zinc/45/32/68/1283453268.db2.gz KJMJOIUZUMNZCU-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590307977 1283453274 /nfs/dbraw/zinc/45/32/74/1283453274.db2.gz KJMJOIUZUMNZCU-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590799740 1283859172 /nfs/dbraw/zinc/85/91/72/1283859172.db2.gz BHCZSUDCWKHVPU-KRWDZBQOSA-N 2 2 360.462 0.818 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001591090754 1284162816 /nfs/dbraw/zinc/16/28/16/1284162816.db2.gz SOMYQIGKQHVPAR-AWEZNQCLSA-N 2 2 357.418 0.825 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccccc1-c1nn[nH]n1 ZINC001591090754 1284162823 /nfs/dbraw/zinc/16/28/23/1284162823.db2.gz SOMYQIGKQHVPAR-AWEZNQCLSA-N 2 2 357.418 0.825 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCc1c[nH+]cn1C ZINC001591103502 1284175909 /nfs/dbraw/zinc/17/59/09/1284175909.db2.gz UGTGXMPHYQGPGH-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CCn1cc[nH+]c1 ZINC001591103688 1284175987 /nfs/dbraw/zinc/17/59/87/1284175987.db2.gz XMJUXOPSGIXKJX-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001591180247 1284280837 /nfs/dbraw/zinc/28/08/37/1284280837.db2.gz HXEKOEQQSAONCB-INIZCTEOSA-N 2 2 373.461 0.042 20 0 FCADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001591180247 1284280846 /nfs/dbraw/zinc/28/08/46/1284280846.db2.gz HXEKOEQQSAONCB-INIZCTEOSA-N 2 2 373.461 0.042 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1-c1nn[nH]n1 ZINC001591217248 1284354338 /nfs/dbraw/zinc/35/43/38/1284354338.db2.gz JAHNHXCOZWCYMX-JTQLQIEISA-N 2 2 370.421 0.139 20 0 FCADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649794 1287710678 /nfs/dbraw/zinc/71/06/78/1287710678.db2.gz XSOIPWTZRALAMP-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649794 1287710687 /nfs/dbraw/zinc/71/06/87/1287710687.db2.gz XSOIPWTZRALAMP-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP Cc1cc(-c2nn[nH]n2)nc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001591882080 1284970839 /nfs/dbraw/zinc/97/08/39/1284970839.db2.gz BUVKDONGXUDYQK-AWEZNQCLSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1cc(-c2nn[nH]n2)nc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001591882080 1284970843 /nfs/dbraw/zinc/97/08/43/1284970843.db2.gz BUVKDONGXUDYQK-AWEZNQCLSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592417517 1285341320 /nfs/dbraw/zinc/34/13/20/1285341320.db2.gz KUFWXYPNZHTJEP-UHFFFAOYSA-N 2 2 355.406 0.197 20 0 FCADLP Nc1nc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc[nH+]1 ZINC001592762351 1285685037 /nfs/dbraw/zinc/68/50/37/1285685037.db2.gz IUKJQYOKAWACML-UHFFFAOYSA-N 2 2 351.418 0.951 20 0 FCADLP Nc1nc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc[nH+]1 ZINC001592762351 1285685042 /nfs/dbraw/zinc/68/50/42/1285685042.db2.gz IUKJQYOKAWACML-UHFFFAOYSA-N 2 2 351.418 0.951 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001592863972 1285766923 /nfs/dbraw/zinc/76/69/23/1285766923.db2.gz NLCSYYHYFFCCAP-CQSZACIVSA-N 2 2 370.461 0.833 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001592935386 1285822690 /nfs/dbraw/zinc/82/26/90/1285822690.db2.gz BHSQTNIZLCVBGW-JOCQHMNTSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592983353 1285865143 /nfs/dbraw/zinc/86/51/43/1285865143.db2.gz SNLNSZPBXKDMKS-MRXNPFEDSA-N 2 2 370.461 0.446 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001593034140 1285917171 /nfs/dbraw/zinc/91/71/71/1285917171.db2.gz KVZREBVPNSJGTN-INIZCTEOSA-N 2 2 370.461 0.446 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)C12CC[NH+](CC1)C2 ZINC001593042458 1285929355 /nfs/dbraw/zinc/92/93/55/1285929355.db2.gz DDLISEZAPXJFED-LBPRGKRZSA-N 2 2 373.486 0.715 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)C12CC[NH+](CC1)C2 ZINC001593042458 1285929363 /nfs/dbraw/zinc/92/93/63/1285929363.db2.gz DDLISEZAPXJFED-LBPRGKRZSA-N 2 2 373.486 0.715 20 0 FCADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(-c3nn[nH]n3)n2)CC1 ZINC001605343154 1287930843 /nfs/dbraw/zinc/93/08/43/1287930843.db2.gz ZEOSZNFKIMYCTH-UHFFFAOYSA-N 2 2 352.402 0.988 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1)[NH+](CC)CC ZINC001719283210 1288021674 /nfs/dbraw/zinc/02/16/74/1288021674.db2.gz XMPDRVBDJLVQTE-OAGGEKHMSA-N 2 2 365.478 0.151 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1)[NH+](CC)CC ZINC001719283210 1288021677 /nfs/dbraw/zinc/02/16/77/1288021677.db2.gz XMPDRVBDJLVQTE-OAGGEKHMSA-N 2 2 365.478 0.151 20 0 FCADLP Cc1cc(N(C)CCN(C)C(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605688116 1288050996 /nfs/dbraw/zinc/05/09/96/1288050996.db2.gz IMLGJFLBTJJQEA-UHFFFAOYSA-N 2 2 355.406 0.361 20 0 FCADLP Cc1cc(N[C@H](C)CCNC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605720666 1288060029 /nfs/dbraw/zinc/06/00/29/1288060029.db2.gz PWKVXJBYSNUFPV-LLVKDONJSA-N 2 2 355.406 0.195 20 0 FCADLP Cc1cc(N[C@@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605721922 1288061953 /nfs/dbraw/zinc/06/19/53/1288061953.db2.gz WMTVJRZKRFJKON-ZDUSSCGKSA-N 2 2 369.433 0.538 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001606620850 1288413295 /nfs/dbraw/zinc/41/32/95/1288413295.db2.gz PYENIFHVSZRJGP-UHFFFAOYSA-N 2 2 365.401 0.411 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606621022 1288413618 /nfs/dbraw/zinc/41/36/18/1288413618.db2.gz YMNFUXIYGSTWIT-QWHCGFSZSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(NC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001606687852 1288442535 /nfs/dbraw/zinc/44/25/35/1288442535.db2.gz CQHDXBMYSKXKAB-QGZVFWFLSA-N 2 2 367.457 0.509 20 0 FCADLP CC(C)NC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001731350476 1288551374 /nfs/dbraw/zinc/55/13/74/1288551374.db2.gz GELYOMDMJMAORI-HZPDHXFCSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N2CCc3ccccc32)CC[N@@H+]1C ZINC001731771379 1288563965 /nfs/dbraw/zinc/56/39/65/1288563965.db2.gz ROKYKZMLNYFETA-NVXWUHKLSA-N 2 2 358.486 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N2CCc3ccccc32)CC[N@H+]1C ZINC001731771379 1288563967 /nfs/dbraw/zinc/56/39/67/1288563967.db2.gz ROKYKZMLNYFETA-NVXWUHKLSA-N 2 2 358.486 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC001731771379 1288563968 /nfs/dbraw/zinc/56/39/68/1288563968.db2.gz ROKYKZMLNYFETA-NVXWUHKLSA-N 2 2 358.486 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC001731771379 1288563970 /nfs/dbraw/zinc/56/39/70/1288563970.db2.gz ROKYKZMLNYFETA-NVXWUHKLSA-N 2 2 358.486 0.964 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1Cc2c[nH+]cn2C1)c1ccc(-c2nn[nH]n2)cc1 ZINC001607057278 1288626885 /nfs/dbraw/zinc/62/68/85/1288626885.db2.gz GGOUDHFEGPXYNM-GFCCVEGCSA-N 2 2 359.415 0.051 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095764 1288659639 /nfs/dbraw/zinc/65/96/39/1288659639.db2.gz XZRBKUTVSFSCPQ-ZNMIVQPWSA-N 2 2 374.445 0.059 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095764 1288659643 /nfs/dbraw/zinc/65/96/43/1288659643.db2.gz XZRBKUTVSFSCPQ-ZNMIVQPWSA-N 2 2 374.445 0.059 20 0 FCADLP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCCCC1 ZINC001734581333 1288661672 /nfs/dbraw/zinc/66/16/72/1288661672.db2.gz MFEBMQPGGBAJRK-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N1CCCCC1 ZINC001734581333 1288661677 /nfs/dbraw/zinc/66/16/77/1288661677.db2.gz MFEBMQPGGBAJRK-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N1CCCCC1 ZINC001734581333 1288661685 /nfs/dbraw/zinc/66/16/85/1288661685.db2.gz MFEBMQPGGBAJRK-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N1CCCCC1 ZINC001734581333 1288661692 /nfs/dbraw/zinc/66/16/92/1288661692.db2.gz MFEBMQPGGBAJRK-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692156522 1289408623 /nfs/dbraw/zinc/40/86/23/1289408623.db2.gz PHJHUBPVIKIPFM-IAOVAPTHSA-N 2 2 364.465 0.925 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001692156522 1289408624 /nfs/dbraw/zinc/40/86/24/1289408624.db2.gz PHJHUBPVIKIPFM-IAOVAPTHSA-N 2 2 364.465 0.925 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001692240624 1289436602 /nfs/dbraw/zinc/43/66/02/1289436602.db2.gz QKDPPEUVEXQTHL-CVEARBPZSA-N 2 2 364.494 0.950 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001692240624 1289436607 /nfs/dbraw/zinc/43/66/07/1289436607.db2.gz QKDPPEUVEXQTHL-CVEARBPZSA-N 2 2 364.494 0.950 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1 ZINC001692267486 1289439294 /nfs/dbraw/zinc/43/92/94/1289439294.db2.gz LNBCHZAHRAOMQM-BBWFWOEESA-N 2 2 362.474 0.235 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]2C1 ZINC001692267486 1289439300 /nfs/dbraw/zinc/43/93/00/1289439300.db2.gz LNBCHZAHRAOMQM-BBWFWOEESA-N 2 2 362.474 0.235 20 0 FCADLP C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698845749 1289537166 /nfs/dbraw/zinc/53/71/66/1289537166.db2.gz OFHHMZFJQMFLED-BFHYXJOUSA-N 2 2 371.445 0.389 20 0 FCADLP CN(CC[N@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698998531 1289542014 /nfs/dbraw/zinc/54/20/14/1289542014.db2.gz BWPGIDQPYZQGQT-BZUAXINKSA-N 2 2 360.462 0.171 20 0 FCADLP CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698998531 1289542021 /nfs/dbraw/zinc/54/20/21/1289542021.db2.gz BWPGIDQPYZQGQT-BZUAXINKSA-N 2 2 360.462 0.171 20 0 FCADLP C[C@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699109335 1289546089 /nfs/dbraw/zinc/54/60/89/1289546089.db2.gz HWIPAPMXHVQOJA-BPLDGKMQSA-N 2 2 368.503 0.822 20 0 FCADLP C[C@H](CC[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699109335 1289546095 /nfs/dbraw/zinc/54/60/95/1289546095.db2.gz HWIPAPMXHVQOJA-BPLDGKMQSA-N 2 2 368.503 0.822 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001738672895 1289713890 /nfs/dbraw/zinc/71/38/90/1289713890.db2.gz SGBICUUKLULMLQ-RRFJBIMHSA-N 2 2 356.430 0.446 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001739585455 1290199991 /nfs/dbraw/zinc/19/99/91/1290199991.db2.gz ARZDBQNSYATWTB-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001739585455 1290199994 /nfs/dbraw/zinc/19/99/94/1290199994.db2.gz ARZDBQNSYATWTB-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP COC[C@@]1(CO)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001653628064 1291358196 /nfs/dbraw/zinc/35/81/96/1291358196.db2.gz AKWRNFNMCGTJRU-IBGZPJMESA-N 2 2 362.474 0.451 20 0 FCADLP COC[C@@]1(CO)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001653628064 1291358205 /nfs/dbraw/zinc/35/82/05/1291358205.db2.gz AKWRNFNMCGTJRU-IBGZPJMESA-N 2 2 362.474 0.451 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NCC3CCC3)C2)CC[N@@H+]1C ZINC001660822858 1291672566 /nfs/dbraw/zinc/67/25/66/1291672566.db2.gz QRVPSKLDODXUSF-HYVNUMGLSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(=O)NCC3CCC3)C2)CC[N@H+]1C ZINC001660822858 1291672573 /nfs/dbraw/zinc/67/25/73/1291672573.db2.gz QRVPSKLDODXUSF-HYVNUMGLSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001660822858 1291672577 /nfs/dbraw/zinc/67/25/77/1291672577.db2.gz QRVPSKLDODXUSF-HYVNUMGLSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)CC[NH+]1C ZINC001660822858 1291672582 /nfs/dbraw/zinc/67/25/82/1291672582.db2.gz QRVPSKLDODXUSF-HYVNUMGLSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001666700932 1291918655 /nfs/dbraw/zinc/91/86/55/1291918655.db2.gz QMSPBRCPPMAOKS-DOTOQJQBSA-N 2 2 352.504 0.904 20 0 FCADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001666700932 1291918659 /nfs/dbraw/zinc/91/86/59/1291918659.db2.gz QMSPBRCPPMAOKS-DOTOQJQBSA-N 2 2 352.504 0.904 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC001672406728 1292080722 /nfs/dbraw/zinc/08/07/22/1292080722.db2.gz XMXKXKKHGRMULU-LSDHHAIUSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001678675412 1292277947 /nfs/dbraw/zinc/27/79/47/1292277947.db2.gz NXVVBEHIXRIGMX-BFYDXBDKSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001678675412 1292277954 /nfs/dbraw/zinc/27/79/54/1292277954.db2.gz NXVVBEHIXRIGMX-BFYDXBDKSA-N 2 2 361.490 0.967 20 0 FCADLP CON1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001679304652 1292301364 /nfs/dbraw/zinc/30/13/64/1292301364.db2.gz UMYJENWOCMNZGC-HNNXBMFYSA-N 2 2 353.511 0.822 20 0 FCADLP CON1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001679304652 1292301372 /nfs/dbraw/zinc/30/13/72/1292301372.db2.gz UMYJENWOCMNZGC-HNNXBMFYSA-N 2 2 353.511 0.822 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)Nc1nncs1 ZINC001689021656 1294572694 /nfs/dbraw/zinc/57/26/94/1294572694.db2.gz CUVGSIZQGPSCIT-NWDGAFQWSA-N 2 2 363.447 0.248 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001689035745 1294580512 /nfs/dbraw/zinc/58/05/12/1294580512.db2.gz GENGHUUFXUDMLG-JKSUJKDBSA-N 2 2 360.462 0.695 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCNC(=O)NC(C)C ZINC001689194044 1294661025 /nfs/dbraw/zinc/66/10/25/1294661025.db2.gz MSCZZTLHPDSTMC-GOEBONIOSA-N 2 2 364.494 0.937 20 0 FCADLP Cn1[nH]c(C[N@@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@@H]3C2)nc1=O ZINC001689236444 1294699415 /nfs/dbraw/zinc/69/94/15/1294699415.db2.gz FGNHDBHHCXHXQZ-CABCVRRESA-N 2 2 364.494 0.121 20 0 FCADLP Cn1[nH]c(C[N@H+]2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)C[C@@H]3C2)nc1=O ZINC001689236444 1294699427 /nfs/dbraw/zinc/69/94/27/1294699427.db2.gz FGNHDBHHCXHXQZ-CABCVRRESA-N 2 2 364.494 0.121 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001689342250 1294764535 /nfs/dbraw/zinc/76/45/35/1294764535.db2.gz MLFUIMHHMMPFSS-CABCVRRESA-N 2 2 361.446 0.391 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001689342250 1294764546 /nfs/dbraw/zinc/76/45/46/1294764546.db2.gz MLFUIMHHMMPFSS-CABCVRRESA-N 2 2 361.446 0.391 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]CCCO)cc1 ZINC001689385839 1294775338 /nfs/dbraw/zinc/77/53/38/1294775338.db2.gz PZPGBMFBRBGQJE-ZWKOTPCHSA-N 2 2 358.442 0.927 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001690623420 1294877054 /nfs/dbraw/zinc/87/70/54/1294877054.db2.gz MXMFNIYPSYVGKX-MGPQQGTHSA-N 2 2 350.467 0.326 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@H]21 ZINC001164669375 719434031 /nfs/dbraw/zinc/43/40/31/719434031.db2.gz LQJDEDXIIXSXTR-CABCVRRESA-N 2 2 359.478 0.591 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@H]21 ZINC001164669375 719434038 /nfs/dbraw/zinc/43/40/38/719434038.db2.gz LQJDEDXIIXSXTR-CABCVRRESA-N 2 2 359.478 0.591 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2C[NH2+]C4)CC3)CC1 ZINC001164996605 722231785 /nfs/dbraw/zinc/23/17/85/722231785.db2.gz KSQOXPGOAATHAA-UHFFFAOYSA-N 2 2 366.473 0.227 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nccs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327217 837647209 /nfs/dbraw/zinc/64/72/09/837647209.db2.gz XZFKOXKDINLZES-MJBXVCDLSA-N 2 2 361.475 0.228 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nccs3)[C@@H](n3ccnn3)C2)C1 ZINC001070327217 837647212 /nfs/dbraw/zinc/64/72/12/837647212.db2.gz XZFKOXKDINLZES-MJBXVCDLSA-N 2 2 361.475 0.228 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099336069 844030579 /nfs/dbraw/zinc/03/05/79/844030579.db2.gz HCYJEYIGLCBDHM-YUSALJHKSA-N 2 2 361.368 0.205 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000747468931 836244283 /nfs/dbraw/zinc/24/42/83/836244283.db2.gz BNXVDRTWVMWLED-AWEZNQCLSA-N 2 2 354.451 0.576 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(C(C)C)C2=O)C1 ZINC000747468931 836244298 /nfs/dbraw/zinc/24/42/98/836244298.db2.gz BNXVDRTWVMWLED-AWEZNQCLSA-N 2 2 354.451 0.576 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750214231 836410355 /nfs/dbraw/zinc/41/03/55/836410355.db2.gz JEDCUPSJYWXYBC-UHFFFAOYSA-N 2 2 351.451 0.479 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750214231 836410361 /nfs/dbraw/zinc/41/03/61/836410361.db2.gz JEDCUPSJYWXYBC-UHFFFAOYSA-N 2 2 351.451 0.479 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000750865765 836450648 /nfs/dbraw/zinc/45/06/48/836450648.db2.gz YVKJCJXGWZEFII-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000750865765 836450652 /nfs/dbraw/zinc/45/06/52/836450652.db2.gz YVKJCJXGWZEFII-UHFFFAOYSA-N 2 2 354.495 0.111 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C2 ZINC001101488132 844206543 /nfs/dbraw/zinc/20/65/43/844206543.db2.gz NQELGEFLCOQQJQ-IPYPFGDCSA-N 2 2 360.380 0.977 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C2 ZINC001101488132 844206553 /nfs/dbraw/zinc/20/65/53/844206553.db2.gz NQELGEFLCOQQJQ-IPYPFGDCSA-N 2 2 360.380 0.977 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643806 837875797 /nfs/dbraw/zinc/87/57/97/837875797.db2.gz MFOLVLXUAIZERN-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643806 837875810 /nfs/dbraw/zinc/87/58/10/837875810.db2.gz MFOLVLXUAIZERN-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643806 837875823 /nfs/dbraw/zinc/87/58/23/837875823.db2.gz MFOLVLXUAIZERN-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643806 837875837 /nfs/dbraw/zinc/87/58/37/837875837.db2.gz MFOLVLXUAIZERN-IMJJTQAJSA-N 2 2 350.488 0.815 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076107178 837956959 /nfs/dbraw/zinc/95/69/59/837956959.db2.gz KNEPPHAILFNUFA-OWCLPIDISA-N 2 2 366.487 0.241 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076107178 837956966 /nfs/dbraw/zinc/95/69/66/837956966.db2.gz KNEPPHAILFNUFA-OWCLPIDISA-N 2 2 366.487 0.241 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812445 838116321 /nfs/dbraw/zinc/11/63/21/838116321.db2.gz HIJZHRPFPQWCSJ-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812445 838116324 /nfs/dbraw/zinc/11/63/24/838116324.db2.gz HIJZHRPFPQWCSJ-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812445 838116326 /nfs/dbraw/zinc/11/63/26/838116326.db2.gz HIJZHRPFPQWCSJ-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812445 838116331 /nfs/dbraw/zinc/11/63/31/838116331.db2.gz HIJZHRPFPQWCSJ-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076986437 838194782 /nfs/dbraw/zinc/19/47/82/838194782.db2.gz YGLWNXJJNDRWKR-BRWVUGGUSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076986437 838194786 /nfs/dbraw/zinc/19/47/86/838194786.db2.gz YGLWNXJJNDRWKR-BRWVUGGUSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076986437 838194793 /nfs/dbraw/zinc/19/47/93/838194793.db2.gz YGLWNXJJNDRWKR-BRWVUGGUSA-N 2 2 350.463 0.826 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076986437 838194797 /nfs/dbraw/zinc/19/47/97/838194797.db2.gz YGLWNXJJNDRWKR-BRWVUGGUSA-N 2 2 350.463 0.826 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077014203 838216615 /nfs/dbraw/zinc/21/66/15/838216615.db2.gz IVYRKYACDSQYTD-KLHDSHLOSA-N 2 2 350.438 0.675 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001077014203 838216625 /nfs/dbraw/zinc/21/66/25/838216625.db2.gz IVYRKYACDSQYTD-KLHDSHLOSA-N 2 2 350.438 0.675 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1)OC ZINC001077033516 838229647 /nfs/dbraw/zinc/22/96/47/838229647.db2.gz XZGUJQWYQURTGQ-ARFHVFGLSA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1)OC ZINC001077033516 838229657 /nfs/dbraw/zinc/22/96/57/838229657.db2.gz XZGUJQWYQURTGQ-ARFHVFGLSA-N 2 2 350.463 0.348 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131732 838758519 /nfs/dbraw/zinc/75/85/19/838758519.db2.gz ISSPMTPOALZSSC-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131732 838758527 /nfs/dbraw/zinc/75/85/27/838758527.db2.gz ISSPMTPOALZSSC-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131732 838758538 /nfs/dbraw/zinc/75/85/38/838758538.db2.gz ISSPMTPOALZSSC-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077131732 838758542 /nfs/dbraw/zinc/75/85/42/838758542.db2.gz ISSPMTPOALZSSC-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077259559 838856654 /nfs/dbraw/zinc/85/66/54/838856654.db2.gz VGWZQXUXPHUQDL-BFHYXJOUSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077259559 838856671 /nfs/dbraw/zinc/85/66/71/838856671.db2.gz VGWZQXUXPHUQDL-BFHYXJOUSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260456 838858065 /nfs/dbraw/zinc/85/80/65/838858065.db2.gz IJOKRJFGCIBLGP-KBRIMQKVSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260456 838858077 /nfs/dbraw/zinc/85/80/77/838858077.db2.gz IJOKRJFGCIBLGP-KBRIMQKVSA-N 2 2 360.483 0.911 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)no1 ZINC001077275067 838868354 /nfs/dbraw/zinc/86/83/54/838868354.db2.gz QCBOQBLMMYQVMK-ZIAGYGMSSA-N 2 2 358.389 0.556 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]2O)no1 ZINC001077275067 838868363 /nfs/dbraw/zinc/86/83/63/838868363.db2.gz QCBOQBLMMYQVMK-ZIAGYGMSSA-N 2 2 358.389 0.556 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505096 839001660 /nfs/dbraw/zinc/00/16/60/839001660.db2.gz OFAQLGMWJODSEC-ZIAGYGMSSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077505096 839001670 /nfs/dbraw/zinc/00/16/70/839001670.db2.gz OFAQLGMWJODSEC-ZIAGYGMSSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554107 839029760 /nfs/dbraw/zinc/02/97/60/839029760.db2.gz YNLJLRNNOAOMLN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554107 839029774 /nfs/dbraw/zinc/02/97/74/839029774.db2.gz YNLJLRNNOAOMLN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554107 839029786 /nfs/dbraw/zinc/02/97/86/839029786.db2.gz YNLJLRNNOAOMLN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2O)C1 ZINC001077554107 839029797 /nfs/dbraw/zinc/02/97/97/839029797.db2.gz YNLJLRNNOAOMLN-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571908 839047999 /nfs/dbraw/zinc/04/79/99/839047999.db2.gz XWFJIBKRHPZBNS-WRFANHODSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077571908 839048012 /nfs/dbraw/zinc/04/80/12/839048012.db2.gz XWFJIBKRHPZBNS-WRFANHODSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077571908 839048026 /nfs/dbraw/zinc/04/80/26/839048026.db2.gz XWFJIBKRHPZBNS-WRFANHODSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077571908 839048039 /nfs/dbraw/zinc/04/80/39/839048039.db2.gz XWFJIBKRHPZBNS-WRFANHODSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001077618971 839072830 /nfs/dbraw/zinc/07/28/30/839072830.db2.gz XKWDEGYXSBFMSZ-HUUCEWRRSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001077618971 839072833 /nfs/dbraw/zinc/07/28/33/839072833.db2.gz XKWDEGYXSBFMSZ-HUUCEWRRSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001077679335 839107672 /nfs/dbraw/zinc/10/76/72/839107672.db2.gz OXYPYOGETXSDRR-BPLDGKMQSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)o1 ZINC001077679335 839107681 /nfs/dbraw/zinc/10/76/81/839107681.db2.gz OXYPYOGETXSDRR-BPLDGKMQSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC001077679335 839107688 /nfs/dbraw/zinc/10/76/88/839107688.db2.gz OXYPYOGETXSDRR-BPLDGKMQSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC001077679335 839107694 /nfs/dbraw/zinc/10/76/94/839107694.db2.gz OXYPYOGETXSDRR-BPLDGKMQSA-N 2 2 350.463 0.549 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685257 839112476 /nfs/dbraw/zinc/11/24/76/839112476.db2.gz HESUKDWZAPYKAT-ARFHVFGLSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685257 839112487 /nfs/dbraw/zinc/11/24/87/839112487.db2.gz HESUKDWZAPYKAT-ARFHVFGLSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685257 839112495 /nfs/dbraw/zinc/11/24/95/839112495.db2.gz HESUKDWZAPYKAT-ARFHVFGLSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685257 839112502 /nfs/dbraw/zinc/11/25/02/839112502.db2.gz HESUKDWZAPYKAT-ARFHVFGLSA-N 2 2 353.507 0.695 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017873 839295325 /nfs/dbraw/zinc/29/53/25/839295325.db2.gz BGKMZWGGUCXDHV-UKRRQHHQSA-N 2 2 361.471 0.888 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017873 839295334 /nfs/dbraw/zinc/29/53/34/839295334.db2.gz BGKMZWGGUCXDHV-UKRRQHHQSA-N 2 2 361.471 0.888 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175866 839381897 /nfs/dbraw/zinc/38/18/97/839381897.db2.gz PTCZQEQVNAYUIL-NUEKZKHPSA-N 2 2 367.877 0.832 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175866 839381912 /nfs/dbraw/zinc/38/19/12/839381912.db2.gz PTCZQEQVNAYUIL-NUEKZKHPSA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175866 839381924 /nfs/dbraw/zinc/38/19/24/839381924.db2.gz PTCZQEQVNAYUIL-NUEKZKHPSA-N 2 2 367.877 0.832 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3Cl)C[C@H]2O)C1 ZINC001078175866 839381941 /nfs/dbraw/zinc/38/19/41/839381941.db2.gz PTCZQEQVNAYUIL-NUEKZKHPSA-N 2 2 367.877 0.832 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175751 839382176 /nfs/dbraw/zinc/38/21/76/839382176.db2.gz KYEWUYIOHWLYKU-APHBMKBZSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078175751 839382186 /nfs/dbraw/zinc/38/21/86/839382186.db2.gz KYEWUYIOHWLYKU-APHBMKBZSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078175751 839382196 /nfs/dbraw/zinc/38/21/96/839382196.db2.gz KYEWUYIOHWLYKU-APHBMKBZSA-N 2 2 351.422 0.447 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175751 839382205 /nfs/dbraw/zinc/38/22/05/839382205.db2.gz KYEWUYIOHWLYKU-APHBMKBZSA-N 2 2 351.422 0.447 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210007 839407643 /nfs/dbraw/zinc/40/76/43/839407643.db2.gz QZXYFQASCBIIAG-OAGGEKHMSA-N 2 2 353.488 0.439 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210007 839407649 /nfs/dbraw/zinc/40/76/49/839407649.db2.gz QZXYFQASCBIIAG-OAGGEKHMSA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210007 839407651 /nfs/dbraw/zinc/40/76/51/839407651.db2.gz QZXYFQASCBIIAG-OAGGEKHMSA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210007 839407655 /nfs/dbraw/zinc/40/76/55/839407655.db2.gz QZXYFQASCBIIAG-OAGGEKHMSA-N 2 2 353.488 0.439 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102204032 844443628 /nfs/dbraw/zinc/44/36/28/844443628.db2.gz SLHHRGWJYRHQMQ-ARFHVFGLSA-N 2 2 370.519 0.638 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102204032 844443635 /nfs/dbraw/zinc/44/36/35/844443635.db2.gz SLHHRGWJYRHQMQ-ARFHVFGLSA-N 2 2 370.519 0.638 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102206263 844444545 /nfs/dbraw/zinc/44/45/45/844444545.db2.gz VRXKRXXLAPIEDS-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102206263 844444550 /nfs/dbraw/zinc/44/45/50/844444550.db2.gz VRXKRXXLAPIEDS-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079525987 839540639 /nfs/dbraw/zinc/54/06/39/839540639.db2.gz GKLZJVGTBZAMOC-JLZZUVOBSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079525987 839540648 /nfs/dbraw/zinc/54/06/48/839540648.db2.gz GKLZJVGTBZAMOC-JLZZUVOBSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079525987 839540653 /nfs/dbraw/zinc/54/06/53/839540653.db2.gz GKLZJVGTBZAMOC-JLZZUVOBSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079525987 839540658 /nfs/dbraw/zinc/54/06/58/839540658.db2.gz GKLZJVGTBZAMOC-JLZZUVOBSA-N 2 2 350.463 0.813 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079950550 839630529 /nfs/dbraw/zinc/63/05/29/839630529.db2.gz ZEAXKXQXSMSQRG-YLGOIMDESA-N 2 2 350.463 0.947 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079950550 839630537 /nfs/dbraw/zinc/63/05/37/839630537.db2.gz ZEAXKXQXSMSQRG-YLGOIMDESA-N 2 2 350.463 0.947 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079950550 839630547 /nfs/dbraw/zinc/63/05/47/839630547.db2.gz ZEAXKXQXSMSQRG-YLGOIMDESA-N 2 2 350.463 0.947 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079950550 839630553 /nfs/dbraw/zinc/63/05/53/839630553.db2.gz ZEAXKXQXSMSQRG-YLGOIMDESA-N 2 2 350.463 0.947 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017587 839647832 /nfs/dbraw/zinc/64/78/32/839647832.db2.gz PBBJIPZCGNKKMU-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017587 839647838 /nfs/dbraw/zinc/64/78/38/839647838.db2.gz PBBJIPZCGNKKMU-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017587 839647844 /nfs/dbraw/zinc/64/78/44/839647844.db2.gz PBBJIPZCGNKKMU-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080017587 839647849 /nfs/dbraw/zinc/64/78/49/839647849.db2.gz PBBJIPZCGNKKMU-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP Cc1nnc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)s1 ZINC001102318666 844466002 /nfs/dbraw/zinc/46/60/02/844466002.db2.gz DPGBWQNFKCCZJK-DGCLKSJQSA-N 2 2 368.507 0.421 20 0 FCADLP Cc1nnc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)s1 ZINC001102318666 844466008 /nfs/dbraw/zinc/46/60/08/844466008.db2.gz DPGBWQNFKCCZJK-DGCLKSJQSA-N 2 2 368.507 0.421 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552749 839745541 /nfs/dbraw/zinc/74/55/41/839745541.db2.gz IPZLJBDVTFSZJW-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552749 839745537 /nfs/dbraw/zinc/74/55/37/839745537.db2.gz IPZLJBDVTFSZJW-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552749 839745543 /nfs/dbraw/zinc/74/55/43/839745543.db2.gz IPZLJBDVTFSZJW-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552749 839745545 /nfs/dbraw/zinc/74/55/45/839745545.db2.gz IPZLJBDVTFSZJW-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947661 839839464 /nfs/dbraw/zinc/83/94/64/839839464.db2.gz HKCPQZAHCNLXQN-BPLDGKMQSA-N 2 2 354.476 0.063 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947661 839839467 /nfs/dbraw/zinc/83/94/67/839839467.db2.gz HKCPQZAHCNLXQN-BPLDGKMQSA-N 2 2 354.476 0.063 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943163 839839588 /nfs/dbraw/zinc/83/95/88/839839588.db2.gz SLIHURSSLLHXRT-GDBMZVCRSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943163 839839592 /nfs/dbraw/zinc/83/95/92/839839592.db2.gz SLIHURSSLLHXRT-GDBMZVCRSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036932 839871834 /nfs/dbraw/zinc/87/18/34/839871834.db2.gz HUZHKVCRKAIVSY-QLFBSQMISA-N 2 2 354.476 0.144 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036932 839871843 /nfs/dbraw/zinc/87/18/43/839871843.db2.gz HUZHKVCRKAIVSY-QLFBSQMISA-N 2 2 354.476 0.144 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C)[NH+](C)C ZINC001102378344 844480833 /nfs/dbraw/zinc/48/08/33/844480833.db2.gz TVAPAOYDDNOQET-KFWWJZLASA-N 2 2 354.474 0.772 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C)[NH+](C)C ZINC001102378344 844480836 /nfs/dbraw/zinc/48/08/36/844480836.db2.gz TVAPAOYDDNOQET-KFWWJZLASA-N 2 2 354.474 0.772 20 0 FCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081682159 839998013 /nfs/dbraw/zinc/99/80/13/839998013.db2.gz HUDOINAXBDGSRV-VQHPVUNQSA-N 2 2 357.470 0.518 20 0 FCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001081682159 839998018 /nfs/dbraw/zinc/99/80/18/839998018.db2.gz HUDOINAXBDGSRV-VQHPVUNQSA-N 2 2 357.470 0.518 20 0 FCADLP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001081699544 840003834 /nfs/dbraw/zinc/00/38/34/840003834.db2.gz BQDKQZIOQJWWBU-BZUAXINKSA-N 2 2 353.442 0.965 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001081699544 840003843 /nfs/dbraw/zinc/00/38/43/840003843.db2.gz BQDKQZIOQJWWBU-BZUAXINKSA-N 2 2 353.442 0.965 20 0 FCADLP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001081699544 840003849 /nfs/dbraw/zinc/00/38/49/840003849.db2.gz BQDKQZIOQJWWBU-BZUAXINKSA-N 2 2 353.442 0.965 20 0 FCADLP CO[C@@H]1C[NH+](CCCF)C[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001081699544 840003854 /nfs/dbraw/zinc/00/38/54/840003854.db2.gz BQDKQZIOQJWWBU-BZUAXINKSA-N 2 2 353.442 0.965 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483119 844520826 /nfs/dbraw/zinc/52/08/26/844520826.db2.gz YYFYGWZQMHWDIG-OAGGEKHMSA-N 2 2 352.479 0.670 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483119 844520833 /nfs/dbraw/zinc/52/08/33/844520833.db2.gz YYFYGWZQMHWDIG-OAGGEKHMSA-N 2 2 352.479 0.670 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483101 844521342 /nfs/dbraw/zinc/52/13/42/844521342.db2.gz XUTBGOUMFCKASP-OAGGEKHMSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483101 844521346 /nfs/dbraw/zinc/52/13/46/844521346.db2.gz XUTBGOUMFCKASP-OAGGEKHMSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483100 844521650 /nfs/dbraw/zinc/52/16/50/844521650.db2.gz XUTBGOUMFCKASP-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483100 844521657 /nfs/dbraw/zinc/52/16/57/844521657.db2.gz XUTBGOUMFCKASP-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327437 840312764 /nfs/dbraw/zinc/31/27/64/840312764.db2.gz TYAMOGZKBLNWOQ-BRWVUGGUSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327437 840312778 /nfs/dbraw/zinc/31/27/78/840312778.db2.gz TYAMOGZKBLNWOQ-BRWVUGGUSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369293 840356839 /nfs/dbraw/zinc/35/68/39/840356839.db2.gz HUBAGERGOFAINV-NWANDNLSSA-N 2 2 355.870 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369293 840356849 /nfs/dbraw/zinc/35/68/49/840356849.db2.gz HUBAGERGOFAINV-NWANDNLSSA-N 2 2 355.870 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369293 840356859 /nfs/dbraw/zinc/35/68/59/840356859.db2.gz HUBAGERGOFAINV-NWANDNLSSA-N 2 2 355.870 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369293 840356865 /nfs/dbraw/zinc/35/68/65/840356865.db2.gz HUBAGERGOFAINV-NWANDNLSSA-N 2 2 355.870 0.304 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082371085 840358717 /nfs/dbraw/zinc/35/87/17/840358717.db2.gz RYISFCTYKBJNAY-NVXWUHKLSA-N 2 2 350.463 0.957 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082371085 840358725 /nfs/dbraw/zinc/35/87/25/840358725.db2.gz RYISFCTYKBJNAY-NVXWUHKLSA-N 2 2 350.463 0.957 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379472 840370334 /nfs/dbraw/zinc/37/03/34/840370334.db2.gz YTRGPUYTHVUEDS-ZACQAIPSSA-N 2 2 355.479 0.092 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379472 840370348 /nfs/dbraw/zinc/37/03/48/840370348.db2.gz YTRGPUYTHVUEDS-ZACQAIPSSA-N 2 2 355.479 0.092 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379472 840370358 /nfs/dbraw/zinc/37/03/58/840370358.db2.gz YTRGPUYTHVUEDS-ZACQAIPSSA-N 2 2 355.479 0.092 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2OC)C1 ZINC001082379472 840370369 /nfs/dbraw/zinc/37/03/69/840370369.db2.gz YTRGPUYTHVUEDS-ZACQAIPSSA-N 2 2 355.479 0.092 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1 ZINC001082458647 840420708 /nfs/dbraw/zinc/42/07/08/840420708.db2.gz YXQDRLGFBSJSNP-BMFZPTHFSA-N 2 2 350.467 0.126 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1 ZINC001082458647 840420714 /nfs/dbraw/zinc/42/07/14/840420714.db2.gz YXQDRLGFBSJSNP-BMFZPTHFSA-N 2 2 350.467 0.126 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001082458028 840420949 /nfs/dbraw/zinc/42/09/49/840420949.db2.gz UNXJCYJYHDPXON-UPJWGTAASA-N 2 2 357.405 0.545 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC001082458028 840420951 /nfs/dbraw/zinc/42/09/51/840420951.db2.gz UNXJCYJYHDPXON-UPJWGTAASA-N 2 2 357.405 0.545 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)s1 ZINC001082702872 840530083 /nfs/dbraw/zinc/53/00/83/840530083.db2.gz MHEMWARYZRAYMD-YUELXQCFSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)s1 ZINC001082702872 840530089 /nfs/dbraw/zinc/53/00/89/840530089.db2.gz MHEMWARYZRAYMD-YUELXQCFSA-N 2 2 367.519 0.892 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)C1 ZINC001082742104 840543680 /nfs/dbraw/zinc/54/36/80/840543680.db2.gz REOLWJPUYZVMHP-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)C1 ZINC001082742104 840543684 /nfs/dbraw/zinc/54/36/84/840543684.db2.gz REOLWJPUYZVMHP-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)s1 ZINC001082808147 840570228 /nfs/dbraw/zinc/57/02/28/840570228.db2.gz XGRVMAMXHQCIDD-ZIAGYGMSSA-N 2 2 367.519 0.759 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001082884191 840590160 /nfs/dbraw/zinc/59/01/60/840590160.db2.gz HOSJPIBTWOFIQW-XNRPHZJLSA-N 2 2 368.503 0.522 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)co1 ZINC001082923746 840605100 /nfs/dbraw/zinc/60/51/00/840605100.db2.gz ZRVWKTYDICPSNB-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1)OC ZINC001083151490 840754210 /nfs/dbraw/zinc/75/42/10/840754210.db2.gz BUPPPKXDESHYII-HRCADAONSA-N 2 2 350.463 0.689 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1)OC ZINC001083151490 840754217 /nfs/dbraw/zinc/75/42/17/840754217.db2.gz BUPPPKXDESHYII-HRCADAONSA-N 2 2 350.463 0.689 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373124 840945223 /nfs/dbraw/zinc/94/52/23/840945223.db2.gz SQYVAUQJKSRULY-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373124 840945228 /nfs/dbraw/zinc/94/52/28/840945228.db2.gz SQYVAUQJKSRULY-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373124 840945242 /nfs/dbraw/zinc/94/52/42/840945242.db2.gz SQYVAUQJKSRULY-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373124 840945249 /nfs/dbraw/zinc/94/52/49/840945249.db2.gz SQYVAUQJKSRULY-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102615820 844603897 /nfs/dbraw/zinc/60/38/97/844603897.db2.gz SABAQGHUKLCHKF-RRFJBIMHSA-N 2 2 356.492 0.248 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102615820 844603900 /nfs/dbraw/zinc/60/39/00/844603900.db2.gz SABAQGHUKLCHKF-RRFJBIMHSA-N 2 2 356.492 0.248 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505326 841091703 /nfs/dbraw/zinc/09/17/03/841091703.db2.gz IYGIECHMELJNGJ-OAGGEKHMSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505326 841091721 /nfs/dbraw/zinc/09/17/21/841091721.db2.gz IYGIECHMELJNGJ-OAGGEKHMSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505326 841091726 /nfs/dbraw/zinc/09/17/26/841091726.db2.gz IYGIECHMELJNGJ-OAGGEKHMSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@@H]1O ZINC001083505326 841091736 /nfs/dbraw/zinc/09/17/36/841091736.db2.gz IYGIECHMELJNGJ-OAGGEKHMSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563144 841173330 /nfs/dbraw/zinc/17/33/30/841173330.db2.gz AXGDLMMKPWUTCB-OAGGEKHMSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)c[nH+]1 ZINC001083563144 841173334 /nfs/dbraw/zinc/17/33/34/841173334.db2.gz AXGDLMMKPWUTCB-OAGGEKHMSA-N 2 2 350.463 0.515 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001083565360 841175683 /nfs/dbraw/zinc/17/56/83/841175683.db2.gz OCYPSHMKUJPOFD-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001083565360 841175686 /nfs/dbraw/zinc/17/56/86/841175686.db2.gz OCYPSHMKUJPOFD-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001083565360 841175692 /nfs/dbraw/zinc/17/56/92/841175692.db2.gz OCYPSHMKUJPOFD-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2O)O1 ZINC001083565360 841175695 /nfs/dbraw/zinc/17/56/95/841175695.db2.gz OCYPSHMKUJPOFD-VDNDLQMASA-N 2 2 351.422 0.206 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083579856 841193919 /nfs/dbraw/zinc/19/39/19/841193919.db2.gz GCBDQRVNRBXLIZ-YUELXQCFSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083579856 841193923 /nfs/dbraw/zinc/19/39/23/841193923.db2.gz GCBDQRVNRBXLIZ-YUELXQCFSA-N 2 2 354.401 0.652 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668420 841291909 /nfs/dbraw/zinc/29/19/09/841291909.db2.gz QDONQECKKSKHMY-VYDXJSESSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668420 841291920 /nfs/dbraw/zinc/29/19/20/841291920.db2.gz QDONQECKKSKHMY-VYDXJSESSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)cs1 ZINC001083778273 841422846 /nfs/dbraw/zinc/42/28/46/841422846.db2.gz HEZBQXCCGVYJDN-WQVCFCJDSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)cs1 ZINC001083778273 841422851 /nfs/dbraw/zinc/42/28/51/841422851.db2.gz HEZBQXCCGVYJDN-WQVCFCJDSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)cs1 ZINC001083778273 841422854 /nfs/dbraw/zinc/42/28/54/841422854.db2.gz HEZBQXCCGVYJDN-WQVCFCJDSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)cs1 ZINC001083778273 841422859 /nfs/dbraw/zinc/42/28/59/841422859.db2.gz HEZBQXCCGVYJDN-WQVCFCJDSA-N 2 2 352.504 0.640 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778578 841424556 /nfs/dbraw/zinc/42/45/56/841424556.db2.gz QPZVGPSZSIMMFY-CFVMTHIKSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778578 841424562 /nfs/dbraw/zinc/42/45/62/841424562.db2.gz QPZVGPSZSIMMFY-CFVMTHIKSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778578 841424569 /nfs/dbraw/zinc/42/45/69/841424569.db2.gz QPZVGPSZSIMMFY-CFVMTHIKSA-N 2 2 355.870 0.182 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001083778578 841424580 /nfs/dbraw/zinc/42/45/80/841424580.db2.gz QPZVGPSZSIMMFY-CFVMTHIKSA-N 2 2 355.870 0.182 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)s1 ZINC001083780477 841425301 /nfs/dbraw/zinc/42/53/01/841425301.db2.gz AAHWXVWVTPSPDP-CABCVRRESA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)s1 ZINC001083780477 841425307 /nfs/dbraw/zinc/42/53/07/841425307.db2.gz AAHWXVWVTPSPDP-CABCVRRESA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)s1 ZINC001083780477 841425312 /nfs/dbraw/zinc/42/53/12/841425312.db2.gz AAHWXVWVTPSPDP-CABCVRRESA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)s1 ZINC001083780477 841425317 /nfs/dbraw/zinc/42/53/17/841425317.db2.gz AAHWXVWVTPSPDP-CABCVRRESA-N 2 2 352.504 0.845 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780934 841427567 /nfs/dbraw/zinc/42/75/67/841427567.db2.gz PLULXUUCZIRHCM-LYRGGWFBSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780934 841427573 /nfs/dbraw/zinc/42/75/73/841427573.db2.gz PLULXUUCZIRHCM-LYRGGWFBSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780934 841427575 /nfs/dbraw/zinc/42/75/75/841427575.db2.gz PLULXUUCZIRHCM-LYRGGWFBSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780934 841427581 /nfs/dbraw/zinc/42/75/81/841427581.db2.gz PLULXUUCZIRHCM-LYRGGWFBSA-N 2 2 352.504 0.763 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782778 841432406 /nfs/dbraw/zinc/43/24/06/841432406.db2.gz KYWDOGQCJAXESP-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782778 841432413 /nfs/dbraw/zinc/43/24/13/841432413.db2.gz KYWDOGQCJAXESP-MAZHCROVSA-N 2 2 352.435 0.080 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)o1 ZINC001083887736 841534158 /nfs/dbraw/zinc/53/41/58/841534158.db2.gz IXHKBXFNRJSIRI-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)o1 ZINC001083887736 841534165 /nfs/dbraw/zinc/53/41/65/841534165.db2.gz IXHKBXFNRJSIRI-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001083954140 841601476 /nfs/dbraw/zinc/60/14/76/841601476.db2.gz MVULVSXFMGGXEO-CFVMTHIKSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1O ZINC001083954140 841601484 /nfs/dbraw/zinc/60/14/84/841601484.db2.gz MVULVSXFMGGXEO-CFVMTHIKSA-N 2 2 356.417 0.949 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001084052895 841667019 /nfs/dbraw/zinc/66/70/19/841667019.db2.gz LGQXBVVVZIZGPH-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001084052895 841667025 /nfs/dbraw/zinc/66/70/25/841667025.db2.gz LGQXBVVVZIZGPH-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001084052895 841667029 /nfs/dbraw/zinc/66/70/29/841667029.db2.gz LGQXBVVVZIZGPH-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)o1 ZINC001084052895 841667037 /nfs/dbraw/zinc/66/70/37/841667037.db2.gz LGQXBVVVZIZGPH-ZNMIVQPWSA-N 2 2 350.463 0.549 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001084059015 841673133 /nfs/dbraw/zinc/67/31/33/841673133.db2.gz VLKZEMSRNNXIFG-IKGGRYGDSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001084059015 841673135 /nfs/dbraw/zinc/67/31/35/841673135.db2.gz VLKZEMSRNNXIFG-IKGGRYGDSA-N 2 2 351.422 0.116 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084059756 841674412 /nfs/dbraw/zinc/67/44/12/841674412.db2.gz XKQKQATZASFGAE-XQQFMLRXSA-N 2 2 361.273 0.937 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084059756 841674420 /nfs/dbraw/zinc/67/44/20/841674420.db2.gz XKQKQATZASFGAE-XQQFMLRXSA-N 2 2 361.273 0.937 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001084091572 841698998 /nfs/dbraw/zinc/69/89/98/841698998.db2.gz DRLUCAXEUWZUJL-PMPSAXMXSA-N 2 2 352.504 0.721 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001084091572 841699006 /nfs/dbraw/zinc/69/90/06/841699006.db2.gz DRLUCAXEUWZUJL-PMPSAXMXSA-N 2 2 352.504 0.721 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001084091572 841699012 /nfs/dbraw/zinc/69/90/12/841699012.db2.gz DRLUCAXEUWZUJL-PMPSAXMXSA-N 2 2 352.504 0.721 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001084091572 841699018 /nfs/dbraw/zinc/69/90/18/841699018.db2.gz DRLUCAXEUWZUJL-PMPSAXMXSA-N 2 2 352.504 0.721 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)sn1 ZINC001085159518 842031151 /nfs/dbraw/zinc/03/11/51/842031151.db2.gz XTIBSCFNAKJZPR-RBSFLKMASA-N 2 2 368.503 0.999 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)sn1 ZINC001085159518 842031161 /nfs/dbraw/zinc/03/11/61/842031161.db2.gz XTIBSCFNAKJZPR-RBSFLKMASA-N 2 2 368.503 0.999 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085406212 842094177 /nfs/dbraw/zinc/09/41/77/842094177.db2.gz UQQVOSAVEIPKCK-RBSFLKMASA-N 2 2 368.503 0.712 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1)C(N)=O ZINC001085430842 842102989 /nfs/dbraw/zinc/10/29/89/842102989.db2.gz DYKBMSNLLZFHFO-BPLDGKMQSA-N 2 2 364.515 0.997 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1)C(N)=O ZINC001085430842 842102993 /nfs/dbraw/zinc/10/29/93/842102993.db2.gz DYKBMSNLLZFHFO-BPLDGKMQSA-N 2 2 364.515 0.997 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086120240 842122093 /nfs/dbraw/zinc/12/20/93/842122093.db2.gz RDDGBDRGEPVMMT-YIYPIFLZSA-N 2 2 367.519 0.804 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001086120240 842122097 /nfs/dbraw/zinc/12/20/97/842122097.db2.gz RDDGBDRGEPVMMT-YIYPIFLZSA-N 2 2 367.519 0.804 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)s1 ZINC001086664799 842145501 /nfs/dbraw/zinc/14/55/01/842145501.db2.gz DWBMFTIKYZHLEP-BFHYXJOUSA-N 2 2 353.492 0.552 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)s1 ZINC001086664799 842145508 /nfs/dbraw/zinc/14/55/08/842145508.db2.gz DWBMFTIKYZHLEP-BFHYXJOUSA-N 2 2 353.492 0.552 20 0 FCADLP COc1ncc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)s1 ZINC001275979558 861276857 /nfs/dbraw/zinc/27/68/57/861276857.db2.gz IQUBDHWIVGLOEX-QGZVFWFLSA-N 2 2 368.503 0.764 20 0 FCADLP COc1ncc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)s1 ZINC001275979558 861276876 /nfs/dbraw/zinc/27/68/76/861276876.db2.gz IQUBDHWIVGLOEX-QGZVFWFLSA-N 2 2 368.503 0.764 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)O1 ZINC001086731994 842161386 /nfs/dbraw/zinc/16/13/86/842161386.db2.gz OZRYZAPZCVUBLO-QVHKTLOISA-N 2 2 353.492 0.632 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)O1 ZINC001086731994 842161391 /nfs/dbraw/zinc/16/13/91/842161391.db2.gz OZRYZAPZCVUBLO-QVHKTLOISA-N 2 2 353.492 0.632 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1snnc1C ZINC001087093879 842284453 /nfs/dbraw/zinc/28/44/53/842284453.db2.gz HPYOSNIYYLKEDD-CHWSQXEVSA-N 2 2 364.475 0.765 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087098794 842288020 /nfs/dbraw/zinc/28/80/20/842288020.db2.gz NPUIFFXYMQHWNU-IUODEOHRSA-N 2 2 364.475 0.765 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)c1csnn1 ZINC001087103407 842291624 /nfs/dbraw/zinc/29/16/24/842291624.db2.gz DRBUJYYGVPBGLU-UMVBOHGHSA-N 2 2 364.475 0.949 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC001087141364 842299204 /nfs/dbraw/zinc/29/92/04/842299204.db2.gz KBXLRGUCYLZMAS-SNPRPXQTSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001087141364 842299215 /nfs/dbraw/zinc/29/92/15/842299215.db2.gz KBXLRGUCYLZMAS-SNPRPXQTSA-N 2 2 367.519 0.894 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001087141322 842299630 /nfs/dbraw/zinc/29/96/30/842299630.db2.gz IXIJLXHZEUVUQX-BPQIPLTHSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001087141322 842299639 /nfs/dbraw/zinc/29/96/39/842299639.db2.gz IXIJLXHZEUVUQX-BPQIPLTHSA-N 2 2 353.507 0.960 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001087522899 842344997 /nfs/dbraw/zinc/34/49/97/842344997.db2.gz BIGQJBPKOSAPJX-BBWFWOEESA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001087522899 842345005 /nfs/dbraw/zinc/34/50/05/842345005.db2.gz BIGQJBPKOSAPJX-BBWFWOEESA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087522899 842345018 /nfs/dbraw/zinc/34/50/18/842345018.db2.gz BIGQJBPKOSAPJX-BBWFWOEESA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC1CCS(=O)(=O)CC1 ZINC001087522899 842345032 /nfs/dbraw/zinc/34/50/32/842345032.db2.gz BIGQJBPKOSAPJX-BBWFWOEESA-N 2 2 371.547 0.875 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088079250 842526273 /nfs/dbraw/zinc/52/62/73/842526273.db2.gz UAGBYMIKPPWSHH-RYRKJORJSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088079250 842526282 /nfs/dbraw/zinc/52/62/82/842526282.db2.gz UAGBYMIKPPWSHH-RYRKJORJSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088079250 842526292 /nfs/dbraw/zinc/52/62/92/842526292.db2.gz UAGBYMIKPPWSHH-RYRKJORJSA-N 2 2 351.491 0.402 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088079250 842526307 /nfs/dbraw/zinc/52/63/07/842526307.db2.gz UAGBYMIKPPWSHH-RYRKJORJSA-N 2 2 351.491 0.402 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621807 842633047 /nfs/dbraw/zinc/63/30/47/842633047.db2.gz UQMAYKWHMGOARS-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621807 842633053 /nfs/dbraw/zinc/63/30/53/842633053.db2.gz UQMAYKWHMGOARS-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621807 842633059 /nfs/dbraw/zinc/63/30/59/842633059.db2.gz UQMAYKWHMGOARS-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088621807 842633066 /nfs/dbraw/zinc/63/30/66/842633066.db2.gz UQMAYKWHMGOARS-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692873 842652771 /nfs/dbraw/zinc/65/27/71/842652771.db2.gz BCQVSRJXBJFLQL-PVAVHDDUSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692873 842652778 /nfs/dbraw/zinc/65/27/78/842652778.db2.gz BCQVSRJXBJFLQL-PVAVHDDUSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692873 842652786 /nfs/dbraw/zinc/65/27/86/842652786.db2.gz BCQVSRJXBJFLQL-PVAVHDDUSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)[C@@H]1C ZINC001088692873 842652791 /nfs/dbraw/zinc/65/27/91/842652791.db2.gz BCQVSRJXBJFLQL-PVAVHDDUSA-N 2 2 350.507 0.964 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C ZINC001276214312 861356847 /nfs/dbraw/zinc/35/68/47/861356847.db2.gz POEHQWMWRXOSLP-KKUMJFAQSA-N 2 2 352.479 0.843 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCN1C(=O)OC(C)(C)C ZINC001276214312 861356866 /nfs/dbraw/zinc/35/68/66/861356866.db2.gz POEHQWMWRXOSLP-KKUMJFAQSA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCN1C(=O)OC(C)(C)C ZINC001276214312 861356884 /nfs/dbraw/zinc/35/68/84/861356884.db2.gz POEHQWMWRXOSLP-KKUMJFAQSA-N 2 2 352.479 0.843 20 0 FCADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)OC(C)(C)C ZINC001276214312 861356905 /nfs/dbraw/zinc/35/69/05/861356905.db2.gz POEHQWMWRXOSLP-KKUMJFAQSA-N 2 2 352.479 0.843 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521716 843229020 /nfs/dbraw/zinc/22/90/20/843229020.db2.gz CAXSGUZMVYACSG-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521716 843229031 /nfs/dbraw/zinc/22/90/31/843229031.db2.gz CAXSGUZMVYACSG-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521716 843229040 /nfs/dbraw/zinc/22/90/40/843229040.db2.gz CAXSGUZMVYACSG-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)sn1 ZINC001092521716 843229047 /nfs/dbraw/zinc/22/90/47/843229047.db2.gz CAXSGUZMVYACSG-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724345 843286657 /nfs/dbraw/zinc/28/66/57/843286657.db2.gz LEEZSURBSJTGMM-AAVRWANBSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724345 843286669 /nfs/dbraw/zinc/28/66/69/843286669.db2.gz LEEZSURBSJTGMM-AAVRWANBSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1C[NH+](Cc2nncs2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724345 843286677 /nfs/dbraw/zinc/28/66/77/843286677.db2.gz LEEZSURBSJTGMM-AAVRWANBSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1C[NH+](Cc2nncs2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724345 843286688 /nfs/dbraw/zinc/28/66/88/843286688.db2.gz LEEZSURBSJTGMM-AAVRWANBSA-N 2 2 353.492 0.441 20 0 FCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001092911242 843337925 /nfs/dbraw/zinc/33/79/25/843337925.db2.gz ORGFPNIMCTXZPM-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001092911242 843337935 /nfs/dbraw/zinc/33/79/35/843337935.db2.gz ORGFPNIMCTXZPM-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001092911242 843337943 /nfs/dbraw/zinc/33/79/43/843337943.db2.gz ORGFPNIMCTXZPM-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001092911242 843337953 /nfs/dbraw/zinc/33/79/53/843337953.db2.gz ORGFPNIMCTXZPM-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911729 843339873 /nfs/dbraw/zinc/33/98/73/843339873.db2.gz XNJGJUSPUVFETC-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911729 843339883 /nfs/dbraw/zinc/33/98/83/843339883.db2.gz XNJGJUSPUVFETC-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911729 843339896 /nfs/dbraw/zinc/33/98/96/843339896.db2.gz XNJGJUSPUVFETC-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001092911729 843339906 /nfs/dbraw/zinc/33/99/06/843339906.db2.gz XNJGJUSPUVFETC-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093446864 843433300 /nfs/dbraw/zinc/43/33/00/843433300.db2.gz NKZYUVODDDTOJN-KJWYOANISA-N 2 2 350.463 0.301 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnns2)CC3)C1 ZINC001094384835 843548119 /nfs/dbraw/zinc/54/81/19/843548119.db2.gz LLQRKIHMRXAFNL-ZMSDIMECSA-N 2 2 365.503 0.730 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnns2)CC3)C1 ZINC001094384835 843548130 /nfs/dbraw/zinc/54/81/30/843548130.db2.gz LLQRKIHMRXAFNL-ZMSDIMECSA-N 2 2 365.503 0.730 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnns2)CC3)C1 ZINC001094384835 843548144 /nfs/dbraw/zinc/54/81/44/843548144.db2.gz LLQRKIHMRXAFNL-ZMSDIMECSA-N 2 2 365.503 0.730 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2cnns2)CC3)C1 ZINC001094384835 843548153 /nfs/dbraw/zinc/54/81/53/843548153.db2.gz LLQRKIHMRXAFNL-ZMSDIMECSA-N 2 2 365.503 0.730 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3cc(F)ncn3)CC2)CC[N@@H+]1C ZINC001096305850 843790407 /nfs/dbraw/zinc/79/04/07/843790407.db2.gz PSAIHPMAPRLGNS-ZIAGYGMSSA-N 2 2 350.442 0.194 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3cc(F)ncn3)CC2)CC[N@H+]1C ZINC001096305850 843790418 /nfs/dbraw/zinc/79/04/18/843790418.db2.gz PSAIHPMAPRLGNS-ZIAGYGMSSA-N 2 2 350.442 0.194 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001096545548 843800999 /nfs/dbraw/zinc/80/09/99/843800999.db2.gz DSDJPQWTYYPPAY-FZKCQIBNSA-N 2 2 355.504 0.238 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001096545548 843801011 /nfs/dbraw/zinc/80/10/11/843801011.db2.gz DSDJPQWTYYPPAY-FZKCQIBNSA-N 2 2 355.504 0.238 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncs2)C3)C1 ZINC001098773210 843934998 /nfs/dbraw/zinc/93/49/98/843934998.db2.gz AJYBLECOUYJJIL-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cncs2)C3)C1 ZINC001098773210 843935005 /nfs/dbraw/zinc/93/50/05/843935005.db2.gz AJYBLECOUYJJIL-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cncs2)C3)C1 ZINC001098773210 843935013 /nfs/dbraw/zinc/93/50/13/843935013.db2.gz AJYBLECOUYJJIL-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cncs2)C3)C1 ZINC001098773210 843935021 /nfs/dbraw/zinc/93/50/21/843935021.db2.gz AJYBLECOUYJJIL-QRTARXTBSA-N 2 2 350.488 0.944 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031177 843957068 /nfs/dbraw/zinc/95/70/68/843957068.db2.gz QWFNPSAMGSRFCQ-KXBFYZLASA-N 2 2 350.507 0.777 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031177 843957076 /nfs/dbraw/zinc/95/70/76/843957076.db2.gz QWFNPSAMGSRFCQ-KXBFYZLASA-N 2 2 350.507 0.777 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099031177 843957084 /nfs/dbraw/zinc/95/70/84/843957084.db2.gz QWFNPSAMGSRFCQ-KXBFYZLASA-N 2 2 350.507 0.777 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099031177 843957093 /nfs/dbraw/zinc/95/70/93/843957093.db2.gz QWFNPSAMGSRFCQ-KXBFYZLASA-N 2 2 350.507 0.777 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001099092846 843961155 /nfs/dbraw/zinc/96/11/55/843961155.db2.gz PGTRAFSGUJUEOU-LPHOPBHVSA-N 2 2 350.507 0.777 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001099092846 843961160 /nfs/dbraw/zinc/96/11/60/843961160.db2.gz PGTRAFSGUJUEOU-LPHOPBHVSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398298 844750543 /nfs/dbraw/zinc/75/05/43/844750543.db2.gz MSRZMAIXOALYHO-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398298 844750547 /nfs/dbraw/zinc/75/05/47/844750547.db2.gz MSRZMAIXOALYHO-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103407540 844752116 /nfs/dbraw/zinc/75/21/16/844752116.db2.gz IAPFBTBNRNKEDO-IIAWOOMASA-N 2 2 351.499 0.371 20 0 FCADLP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103407540 844752121 /nfs/dbraw/zinc/75/21/21/844752121.db2.gz IAPFBTBNRNKEDO-IIAWOOMASA-N 2 2 351.499 0.371 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@]2(C1)CN(CCCCCC(N)=O)C(=O)CO2 ZINC001276609158 861495523 /nfs/dbraw/zinc/49/55/23/861495523.db2.gz HNWISZGKALUFGJ-SFHVURJKSA-N 2 2 354.495 0.287 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@]2(C1)CN(CCCCCC(N)=O)C(=O)CO2 ZINC001276609158 861495525 /nfs/dbraw/zinc/49/55/25/861495525.db2.gz HNWISZGKALUFGJ-SFHVURJKSA-N 2 2 354.495 0.287 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)CN(CCCCCC(N)=O)C(=O)CO2 ZINC001276609157 861495785 /nfs/dbraw/zinc/49/57/85/861495785.db2.gz HNWISZGKALUFGJ-GOSISDBHSA-N 2 2 354.495 0.287 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)CN(CCCCCC(N)=O)C(=O)CO2 ZINC001276609157 861495789 /nfs/dbraw/zinc/49/57/89/861495789.db2.gz HNWISZGKALUFGJ-GOSISDBHSA-N 2 2 354.495 0.287 20 0 FCADLP Cc1ncoc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033631 844855920 /nfs/dbraw/zinc/85/59/20/844855920.db2.gz AHHUHMZPINVSIQ-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncoc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033631 844855923 /nfs/dbraw/zinc/85/59/23/844855923.db2.gz AHHUHMZPINVSIQ-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1)[NH+](C)C ZINC001104322542 844894261 /nfs/dbraw/zinc/89/42/61/844894261.db2.gz PRIHXTSQOMRFKD-FMKPAKJESA-N 2 2 351.499 0.371 20 0 FCADLP C[C@@H](C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001104732082 844936019 /nfs/dbraw/zinc/93/60/19/844936019.db2.gz MSDDIFXLWYVPBO-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104909104 844958625 /nfs/dbraw/zinc/95/86/25/844958625.db2.gz XZJCKSGQZKQIED-KFWWJZLASA-N 2 2 352.479 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001105097345 844980124 /nfs/dbraw/zinc/98/01/24/844980124.db2.gz OGVRIZDZDMLRKI-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001106705216 845229121 /nfs/dbraw/zinc/22/91/21/845229121.db2.gz XCESDKXQSXZCKO-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)CS(C)(=O)=O ZINC001106876970 845275943 /nfs/dbraw/zinc/27/59/43/845275943.db2.gz HBKGENJQVSYDGX-RRFJBIMHSA-N 2 2 370.519 0.327 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107432724 845371221 /nfs/dbraw/zinc/37/12/21/845371221.db2.gz XFOGLCFKNAVNDT-SJLPKXTDSA-N 2 2 350.463 0.712 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107432724 845371232 /nfs/dbraw/zinc/37/12/32/845371232.db2.gz XFOGLCFKNAVNDT-SJLPKXTDSA-N 2 2 350.463 0.712 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107432724 845371238 /nfs/dbraw/zinc/37/12/38/845371238.db2.gz XFOGLCFKNAVNDT-SJLPKXTDSA-N 2 2 350.463 0.712 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107432724 845371247 /nfs/dbraw/zinc/37/12/47/845371247.db2.gz XFOGLCFKNAVNDT-SJLPKXTDSA-N 2 2 350.463 0.712 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432124 845371289 /nfs/dbraw/zinc/37/12/89/845371289.db2.gz ATHBTZHHLIHEKB-LZLYRXPVSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432124 845371299 /nfs/dbraw/zinc/37/12/99/845371299.db2.gz ATHBTZHHLIHEKB-LZLYRXPVSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432124 845371306 /nfs/dbraw/zinc/37/13/06/845371306.db2.gz ATHBTZHHLIHEKB-LZLYRXPVSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432124 845371314 /nfs/dbraw/zinc/37/13/14/845371314.db2.gz ATHBTZHHLIHEKB-LZLYRXPVSA-N 2 2 350.463 0.710 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276744300 861573525 /nfs/dbraw/zinc/57/35/25/861573525.db2.gz SJKPIKUCURGWPY-KRWDZBQOSA-N 2 2 368.503 0.632 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276744300 861573537 /nfs/dbraw/zinc/57/35/37/861573537.db2.gz SJKPIKUCURGWPY-KRWDZBQOSA-N 2 2 368.503 0.632 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276756812 861583814 /nfs/dbraw/zinc/58/38/14/861583814.db2.gz FHBJQYJPFORGKK-KBXCAEBGSA-N 2 2 353.463 0.336 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276756812 861583820 /nfs/dbraw/zinc/58/38/20/861583820.db2.gz FHBJQYJPFORGKK-KBXCAEBGSA-N 2 2 353.463 0.336 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293816 845616569 /nfs/dbraw/zinc/61/65/69/845616569.db2.gz HUBFWAQGUZSOBM-NCOADZHNSA-N 2 2 369.531 0.484 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293816 845616574 /nfs/dbraw/zinc/61/65/74/845616574.db2.gz HUBFWAQGUZSOBM-NCOADZHNSA-N 2 2 369.531 0.484 20 0 FCADLP CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276762337 861587719 /nfs/dbraw/zinc/58/77/19/861587719.db2.gz JDRZIIVYKURBQW-JKSUJKDBSA-N 2 2 350.507 0.777 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400303 845645720 /nfs/dbraw/zinc/64/57/20/845645720.db2.gz AAGCDPHQOJLKCZ-ILXRZTDVSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400303 845645723 /nfs/dbraw/zinc/64/57/23/845645723.db2.gz AAGCDPHQOJLKCZ-ILXRZTDVSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427052 845650262 /nfs/dbraw/zinc/65/02/62/845650262.db2.gz LXOUJZCPOYBWFG-UGUYLWEFSA-N 2 2 374.551 0.233 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427052 845650267 /nfs/dbraw/zinc/65/02/67/845650267.db2.gz LXOUJZCPOYBWFG-UGUYLWEFSA-N 2 2 374.551 0.233 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001109446117 845655916 /nfs/dbraw/zinc/65/59/16/845655916.db2.gz LHLLSOLOSYITCH-QXSJWSMHSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001109446117 845655920 /nfs/dbraw/zinc/65/59/20/845655920.db2.gz LHLLSOLOSYITCH-QXSJWSMHSA-N 2 2 354.495 0.201 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555579 845684608 /nfs/dbraw/zinc/68/46/08/845684608.db2.gz WMYFNFVXXGJCOE-PMPSAXMXSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555579 845684612 /nfs/dbraw/zinc/68/46/12/845684612.db2.gz WMYFNFVXXGJCOE-PMPSAXMXSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)CS(C)(=O)=O ZINC001109669113 845709556 /nfs/dbraw/zinc/70/95/56/845709556.db2.gz OTRILQJQEMXVER-ORQFMDKSSA-N 2 2 371.547 0.730 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)CS(C)(=O)=O ZINC001109669113 845709564 /nfs/dbraw/zinc/70/95/64/845709564.db2.gz OTRILQJQEMXVER-ORQFMDKSSA-N 2 2 371.547 0.730 20 0 FCADLP 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ZINC001111984534 846282783 /nfs/dbraw/zinc/28/27/83/846282783.db2.gz BIZYDRCZSWPAIB-LPHOPBHVSA-N 2 2 350.507 0.920 20 0 FCADLP COCCOC[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276914366 861686398 /nfs/dbraw/zinc/68/63/98/861686398.db2.gz ODQYMVRCCACOHX-QGZVFWFLSA-N 2 2 350.419 0.345 20 0 FCADLP COCCOC[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276914366 861686405 /nfs/dbraw/zinc/68/64/05/861686405.db2.gz ODQYMVRCCACOHX-QGZVFWFLSA-N 2 2 350.419 0.345 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563278 846525174 /nfs/dbraw/zinc/52/51/74/846525174.db2.gz OHYYTHWKJMUWSX-ZVZYQTTQSA-N 2 2 350.463 0.188 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112563187 846525374 /nfs/dbraw/zinc/52/53/74/846525374.db2.gz JXFRWMYWLYVUHR-YJBOKZPZSA-N 2 2 350.463 0.190 20 0 FCADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112582818 846531033 /nfs/dbraw/zinc/53/10/33/846531033.db2.gz PUTLAYONNWGKBB-SCTDSRPQSA-N 2 2 351.491 0.308 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001113008116 846539186 /nfs/dbraw/zinc/53/91/86/846539186.db2.gz GHTTZPBLXPFASK-BRWVUGGUSA-N 2 2 355.479 0.045 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](CCCO[C@@H]3CCOC3)CC2)O1 ZINC001113008116 846539198 /nfs/dbraw/zinc/53/91/98/846539198.db2.gz GHTTZPBLXPFASK-BRWVUGGUSA-N 2 2 355.479 0.045 20 0 FCADLP CC(C)(CO)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276957952 861702860 /nfs/dbraw/zinc/70/28/60/861702860.db2.gz CDQNCMKSTCRUEO-SFHVURJKSA-N 2 2 350.463 0.453 20 0 FCADLP CC(C)(CO)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276957952 861702875 /nfs/dbraw/zinc/70/28/75/861702875.db2.gz CDQNCMKSTCRUEO-SFHVURJKSA-N 2 2 350.463 0.453 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001117174761 846922104 /nfs/dbraw/zinc/92/21/04/846922104.db2.gz YFHIKBSIMWHGEX-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118107856 847283062 /nfs/dbraw/zinc/28/30/62/847283062.db2.gz XNMMXQWVQXFVLZ-IXDOHACOSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118107856 847283071 /nfs/dbraw/zinc/28/30/71/847283071.db2.gz XNMMXQWVQXFVLZ-IXDOHACOSA-N 2 2 350.507 0.774 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCCS(C)(=O)=O)C2)CC1 ZINC001118163515 847304250 /nfs/dbraw/zinc/30/42/50/847304250.db2.gz AOYGFHPASAZECH-CQSZACIVSA-N 2 2 360.524 0.279 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCCS(C)(=O)=O)C2)CC1 ZINC001118163515 847304267 /nfs/dbraw/zinc/30/42/67/847304267.db2.gz AOYGFHPASAZECH-CQSZACIVSA-N 2 2 360.524 0.279 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCCS(C)(=O)=O)C2)CC1 ZINC001118163514 847304941 /nfs/dbraw/zinc/30/49/41/847304941.db2.gz AOYGFHPASAZECH-AWEZNQCLSA-N 2 2 360.524 0.279 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCCS(C)(=O)=O)C2)CC1 ZINC001118163514 847304946 /nfs/dbraw/zinc/30/49/46/847304946.db2.gz AOYGFHPASAZECH-AWEZNQCLSA-N 2 2 360.524 0.279 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH2+]CCC12CCOCC2)[NH+]1CCOCC1 ZINC001120556203 848240626 /nfs/dbraw/zinc/24/06/26/848240626.db2.gz RBYMJQCTWYTYDO-JKSUJKDBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001123793540 848637910 /nfs/dbraw/zinc/63/79/10/848637910.db2.gz CMKJOEYRJKVYIC-GVDBMIGSSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001123793540 848637913 /nfs/dbraw/zinc/63/79/13/848637913.db2.gz CMKJOEYRJKVYIC-GVDBMIGSSA-N 2 2 353.511 0.127 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052477 848801096 /nfs/dbraw/zinc/80/10/96/848801096.db2.gz GRLVSIWXIDCCNR-IMJJTQAJSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052477 848801099 /nfs/dbraw/zinc/80/10/99/848801099.db2.gz GRLVSIWXIDCCNR-IMJJTQAJSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@H](F)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052477 848801102 /nfs/dbraw/zinc/80/11/02/848801102.db2.gz GRLVSIWXIDCCNR-IMJJTQAJSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@H](F)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052477 848801103 /nfs/dbraw/zinc/80/11/03/848801103.db2.gz GRLVSIWXIDCCNR-IMJJTQAJSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052476 848801415 /nfs/dbraw/zinc/80/14/15/848801415.db2.gz GRLVSIWXIDCCNR-BMFZPTHFSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052476 848801416 /nfs/dbraw/zinc/80/14/16/848801416.db2.gz GRLVSIWXIDCCNR-BMFZPTHFSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@@H](F)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052476 848801421 /nfs/dbraw/zinc/80/14/21/848801421.db2.gz GRLVSIWXIDCCNR-BMFZPTHFSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@@H](F)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052476 848801433 /nfs/dbraw/zinc/80/14/33/848801433.db2.gz GRLVSIWXIDCCNR-BMFZPTHFSA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276838 848825917 /nfs/dbraw/zinc/82/59/17/848825917.db2.gz XBIKLPOKXGMWKN-AGIUHOORSA-N 2 2 362.400 0.912 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276838 848825919 /nfs/dbraw/zinc/82/59/19/848825919.db2.gz XBIKLPOKXGMWKN-AGIUHOORSA-N 2 2 362.400 0.912 20 0 FCADLP O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892883 848908781 /nfs/dbraw/zinc/90/87/81/848908781.db2.gz DIYJHGVYKIWSAY-MXWKQRLJSA-N 2 2 359.352 0.382 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COCc1cccs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900479 848912123 /nfs/dbraw/zinc/91/21/23/848912123.db2.gz FTAZFJZFEFNCGF-NWANDNLSSA-N 2 2 364.471 0.858 20 0 FCADLP O=C(NCC[NH2+]C[C@H](O)COCc1cccs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129900479 848912132 /nfs/dbraw/zinc/91/21/32/848912132.db2.gz FTAZFJZFEFNCGF-NWANDNLSSA-N 2 2 364.471 0.858 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(-c3cccs3)o2)O1 ZINC001130184175 848961900 /nfs/dbraw/zinc/96/19/00/848961900.db2.gz FBNUOSMEUFWZFX-VXGBXAGGSA-N 2 2 365.459 0.723 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(-c3cccs3)o2)O1 ZINC001130184175 848961908 /nfs/dbraw/zinc/96/19/08/848961908.db2.gz FBNUOSMEUFWZFX-VXGBXAGGSA-N 2 2 365.459 0.723 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)[NH+](C)C)n[nH]1 ZINC001130220835 848978854 /nfs/dbraw/zinc/97/88/54/848978854.db2.gz NOZZUCVOUJJJIF-MJBXVCDLSA-N 2 2 352.483 0.633 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130221109 848979227 /nfs/dbraw/zinc/97/92/27/848979227.db2.gz VDWMAJLWIPWWET-YDHLFZDLSA-N 2 2 350.467 0.243 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[NH+](CC)CC)n[nH]2)O1 ZINC001130812028 849047465 /nfs/dbraw/zinc/04/74/65/849047465.db2.gz YADPANBAUPNZJO-UONOGXRCSA-N 2 2 352.483 0.982 20 0 FCADLP Cc1oncc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614041 849131075 /nfs/dbraw/zinc/13/10/75/849131075.db2.gz WEWYFVYHHRSIGL-CVEARBPZSA-N 2 2 352.435 0.069 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3CC(F)C3)CC2)C1=O ZINC001142575477 849452123 /nfs/dbraw/zinc/45/21/23/849452123.db2.gz OHAVTAGDZWJSJJ-UHFFFAOYSA-N 2 2 354.470 0.431 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CC(F)C3)CC2)C1=O ZINC001142575477 849452130 /nfs/dbraw/zinc/45/21/30/849452130.db2.gz OHAVTAGDZWJSJJ-UHFFFAOYSA-N 2 2 354.470 0.431 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001142584374 849453614 /nfs/dbraw/zinc/45/36/14/849453614.db2.gz UJCSBMCFGHVOSR-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001142584374 849453620 /nfs/dbraw/zinc/45/36/20/849453620.db2.gz UJCSBMCFGHVOSR-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001142584374 849453625 /nfs/dbraw/zinc/45/36/25/849453625.db2.gz UJCSBMCFGHVOSR-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001142584374 849453630 /nfs/dbraw/zinc/45/36/30/849453630.db2.gz UJCSBMCFGHVOSR-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP CCOC[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001277718591 862029265 /nfs/dbraw/zinc/02/92/65/862029265.db2.gz GSHNXIUSWVJNLK-HZPDHXFCSA-N 2 2 350.463 0.499 20 0 FCADLP COC(=O)c1cc(S(N)(=O)=O)cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063855 849827395 /nfs/dbraw/zinc/82/73/95/849827395.db2.gz GWMGBESURFDUSN-UHFFFAOYSA-N 2 2 365.415 0.168 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH2+]C)[C@@H](C)OC(C)(C)C ZINC001157082689 849945441 /nfs/dbraw/zinc/94/54/41/849945441.db2.gz NPJGSDRPRWJFJE-XBFCOCLRSA-N 2 2 354.451 0.792 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH2+]C)[C@@H](C)OC(C)(C)C ZINC001157082689 849945443 /nfs/dbraw/zinc/94/54/43/849945443.db2.gz NPJGSDRPRWJFJE-XBFCOCLRSA-N 2 2 354.451 0.792 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157927618 850004231 /nfs/dbraw/zinc/00/42/31/850004231.db2.gz YKZHKSQDMQZARO-DMDPSCGWSA-N 2 2 352.332 0.544 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)C1 ZINC001158259665 850030386 /nfs/dbraw/zinc/03/03/86/850030386.db2.gz UVXKQPNRRJXVHS-GFCCVEGCSA-N 2 2 367.885 0.363 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nc(Cl)nc(N4CCOCC4)n3)CC2)C1 ZINC001158259665 850030394 /nfs/dbraw/zinc/03/03/94/850030394.db2.gz UVXKQPNRRJXVHS-GFCCVEGCSA-N 2 2 367.885 0.363 20 0 FCADLP CC(C)[N@@H+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[C@@H]1C ZINC001158493885 850056288 /nfs/dbraw/zinc/05/62/88/850056288.db2.gz QDGQBIDVMRPJKE-ZDUSSCGKSA-N 2 2 367.519 0.487 20 0 FCADLP CC(C)[N@H+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[C@@H]1C ZINC001158493885 850056293 /nfs/dbraw/zinc/05/62/93/850056293.db2.gz QDGQBIDVMRPJKE-ZDUSSCGKSA-N 2 2 367.519 0.487 20 0 FCADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001158642930 850063694 /nfs/dbraw/zinc/06/36/94/850063694.db2.gz QOYRUVHJARBFKT-SUMWQHHRSA-N 2 2 363.487 0.761 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001158698593 850068018 /nfs/dbraw/zinc/06/80/18/850068018.db2.gz PPYIRSNGGXJJQD-AWEZNQCLSA-N 2 2 351.451 0.301 20 0 FCADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001158734519 850072304 /nfs/dbraw/zinc/07/23/04/850072304.db2.gz BEFUPGLCOKGQEN-HNNXBMFYSA-N 2 2 370.475 0.516 20 0 FCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001158855206 850081835 /nfs/dbraw/zinc/08/18/35/850081835.db2.gz FZJMWZYODNDZPY-RZFZLAGVSA-N 2 2 355.508 0.231 20 0 FCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001158855206 850081846 /nfs/dbraw/zinc/08/18/46/850081846.db2.gz FZJMWZYODNDZPY-RZFZLAGVSA-N 2 2 355.508 0.231 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832237 850139198 /nfs/dbraw/zinc/13/91/98/850139198.db2.gz BHDMWEKCIHTGAZ-RDBSUJKOSA-N 2 2 352.460 0.456 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832237 850139202 /nfs/dbraw/zinc/13/92/02/850139202.db2.gz BHDMWEKCIHTGAZ-RDBSUJKOSA-N 2 2 352.460 0.456 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832235 850140042 /nfs/dbraw/zinc/14/00/42/850140042.db2.gz BHDMWEKCIHTGAZ-IHRRRGAJSA-N 2 2 352.460 0.456 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832235 850140049 /nfs/dbraw/zinc/14/00/49/850140049.db2.gz BHDMWEKCIHTGAZ-IHRRRGAJSA-N 2 2 352.460 0.456 20 0 FCADLP COCc1noc([C@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160851411 850205087 /nfs/dbraw/zinc/20/50/87/850205087.db2.gz YTDXDLBYXHQCSV-FRRDWIJNSA-N 2 2 355.439 0.092 20 0 FCADLP COCc1noc([C@H](C)[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160851411 850205098 /nfs/dbraw/zinc/20/50/98/850205098.db2.gz YTDXDLBYXHQCSV-FRRDWIJNSA-N 2 2 355.439 0.092 20 0 FCADLP O=C(N1CCC(Oc2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160912747 850213449 /nfs/dbraw/zinc/21/34/49/850213449.db2.gz OFQKKSFYDCWERQ-BZNIZROVSA-N 2 2 351.838 0.451 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001161152460 850235011 /nfs/dbraw/zinc/23/50/11/850235011.db2.gz LSUNJQZBOXFIRU-ONGXEEELSA-N 3 2 358.368 0.270 20 0 FCADLP O=C([C@@H]1[NH2+]CCS1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196258 850239143 /nfs/dbraw/zinc/23/91/43/850239143.db2.gz BEKCHYUVNLYQAQ-MRXNPFEDSA-N 3 2 356.536 0.199 20 0 FCADLP CCS(=O)(=O)NC1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1 ZINC001161263736 850244535 /nfs/dbraw/zinc/24/45/35/850244535.db2.gz CMTVYXOHAYHKAG-OAHLLOKOSA-N 2 2 354.476 0.189 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520400 850266231 /nfs/dbraw/zinc/26/62/31/850266231.db2.gz MTXQBIPJUMGDDZ-VXGBXAGGSA-N 2 2 353.224 0.712 20 0 FCADLP CC[C@@H](C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)OC ZINC001162996024 850342276 /nfs/dbraw/zinc/34/22/76/850342276.db2.gz JSUURHBUWDCIGH-BBWFWOEESA-N 2 2 357.495 0.387 20 0 FCADLP Nc1nc(=O)c2sc(=O)[nH]c2n1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163042754 850345258 /nfs/dbraw/zinc/34/52/58/850345258.db2.gz YJGQZVGVTILMDU-UHFFFAOYSA-N 2 2 355.383 0.707 20 0 FCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001169659074 850633065 /nfs/dbraw/zinc/63/30/65/850633065.db2.gz ANMGDBMYTWTION-INIZCTEOSA-N 2 2 368.503 0.459 20 0 FCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001169659074 850633072 /nfs/dbraw/zinc/63/30/72/850633072.db2.gz ANMGDBMYTWTION-INIZCTEOSA-N 2 2 368.503 0.459 20 0 FCADLP C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360249 850683117 /nfs/dbraw/zinc/68/31/17/850683117.db2.gz YDHASQNDPIQZNG-MGPQQGTHSA-N 2 2 356.492 0.822 20 0 FCADLP C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360249 850683125 /nfs/dbraw/zinc/68/31/25/850683125.db2.gz YDHASQNDPIQZNG-MGPQQGTHSA-N 2 2 356.492 0.822 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173748946 850735249 /nfs/dbraw/zinc/73/52/49/850735249.db2.gz WIZOBAZXZJDFSD-CRWXNKLISA-N 2 2 351.455 0.693 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173748952 850735486 /nfs/dbraw/zinc/73/54/86/850735486.db2.gz WIZOBAZXZJDFSD-RFGFWPKPSA-N 2 2 351.455 0.693 20 0 FCADLP O=C(NCCCCCC[NH2+]CCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097123 850954911 /nfs/dbraw/zinc/95/49/11/850954911.db2.gz CINYBAWEMZOCHV-SJORKVTESA-N 2 2 357.495 0.125 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)CC1 ZINC001180345632 851026403 /nfs/dbraw/zinc/02/64/03/851026403.db2.gz QVKZUUHYBWKFNX-ZWKOTPCHSA-N 2 2 351.539 0.249 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)CC1 ZINC001180345632 851026405 /nfs/dbraw/zinc/02/64/05/851026405.db2.gz QVKZUUHYBWKFNX-ZWKOTPCHSA-N 2 2 351.539 0.249 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CC3(C)C)CC2)C1=O ZINC001181298515 851100813 /nfs/dbraw/zinc/10/08/13/851100813.db2.gz INVJEZFTGZHBNP-OAHLLOKOSA-N 2 2 350.507 0.729 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CC3(C)C)CC2)C1=O ZINC001181298515 851100815 /nfs/dbraw/zinc/10/08/15/851100815.db2.gz INVJEZFTGZHBNP-OAHLLOKOSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnsn1 ZINC001181874766 851139022 /nfs/dbraw/zinc/13/90/22/851139022.db2.gz PXLURXLWCOXLSI-GKLJAUDBSA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@]1(C)C[NH2+]Cc1cnsn1 ZINC001181874766 851139029 /nfs/dbraw/zinc/13/90/29/851139029.db2.gz PXLURXLWCOXLSI-GKLJAUDBSA-N 2 2 367.519 0.831 20 0 FCADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3cnc(Cl)nc3)CC2)CC1 ZINC001185036095 851334989 /nfs/dbraw/zinc/33/49/89/851334989.db2.gz JUZVMXVXAUWREJ-UHFFFAOYSA-N 2 2 373.910 0.778 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185749775 851385782 /nfs/dbraw/zinc/38/57/82/851385782.db2.gz MWMFFQYIKSWDLM-RBSFLKMASA-N 2 2 368.503 0.539 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305296 851543912 /nfs/dbraw/zinc/54/39/12/851543912.db2.gz UZLJQHNVFUGSTO-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305296 851543925 /nfs/dbraw/zinc/54/39/25/851543925.db2.gz UZLJQHNVFUGSTO-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305296 851543936 /nfs/dbraw/zinc/54/39/36/851543936.db2.gz UZLJQHNVFUGSTO-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305296 851543941 /nfs/dbraw/zinc/54/39/41/851543941.db2.gz UZLJQHNVFUGSTO-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857652 851616222 /nfs/dbraw/zinc/61/62/22/851616222.db2.gz ORYSSOCPVGROAD-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857652 851616226 /nfs/dbraw/zinc/61/62/26/851616226.db2.gz ORYSSOCPVGROAD-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857652 851616229 /nfs/dbraw/zinc/61/62/29/851616229.db2.gz ORYSSOCPVGROAD-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857652 851616232 /nfs/dbraw/zinc/61/62/32/851616232.db2.gz ORYSSOCPVGROAD-GVDBMIGSSA-N 2 2 371.547 0.827 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001188107159 851645897 /nfs/dbraw/zinc/64/58/97/851645897.db2.gz IMUKAFZWEIGTIX-NUEKZKHPSA-N 2 2 352.458 0.528 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995991 851741742 /nfs/dbraw/zinc/74/17/42/851741742.db2.gz ZABUYCFCJQUQEW-RDJZCZTQSA-N 2 2 352.504 0.589 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995991 851741749 /nfs/dbraw/zinc/74/17/49/851741749.db2.gz ZABUYCFCJQUQEW-RDJZCZTQSA-N 2 2 352.504 0.589 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126346 851753783 /nfs/dbraw/zinc/75/37/83/851753783.db2.gz FMDNLTPAZPXMHO-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126346 851753787 /nfs/dbraw/zinc/75/37/87/851753787.db2.gz FMDNLTPAZPXMHO-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126346 851753791 /nfs/dbraw/zinc/75/37/91/851753791.db2.gz FMDNLTPAZPXMHO-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126346 851753792 /nfs/dbraw/zinc/75/37/92/851753792.db2.gz FMDNLTPAZPXMHO-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)oc1C ZINC001189793956 851825495 /nfs/dbraw/zinc/82/54/95/851825495.db2.gz LTQKPYSLECIJJD-JKSUJKDBSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)oc1C ZINC001189793956 851825500 /nfs/dbraw/zinc/82/55/00/851825500.db2.gz LTQKPYSLECIJJD-JKSUJKDBSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1noc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189819848 851827833 /nfs/dbraw/zinc/82/78/33/851827833.db2.gz BANPUTURFXTZJS-AEGPPILISA-N 2 2 351.451 0.550 20 0 FCADLP Cc1noc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189819848 851827841 /nfs/dbraw/zinc/82/78/41/851827841.db2.gz BANPUTURFXTZJS-AEGPPILISA-N 2 2 351.451 0.550 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168905 851869462 /nfs/dbraw/zinc/86/94/62/851869462.db2.gz WAQPQPIAVNBURG-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168905 851869473 /nfs/dbraw/zinc/86/94/73/851869473.db2.gz WAQPQPIAVNBURG-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481051 851911124 /nfs/dbraw/zinc/91/11/24/851911124.db2.gz QCXGXRINXGTMLF-DLBZAZTESA-N 2 2 371.547 0.830 20 0 FCADLP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481051 851911126 /nfs/dbraw/zinc/91/11/26/851911126.db2.gz QCXGXRINXGTMLF-DLBZAZTESA-N 2 2 371.547 0.830 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001190481262 851911162 /nfs/dbraw/zinc/91/11/62/851911162.db2.gz RUMQMVSECWOGBB-SOUVJXGZSA-N 2 2 354.476 0.097 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001190481262 851911164 /nfs/dbraw/zinc/91/11/64/851911164.db2.gz RUMQMVSECWOGBB-SOUVJXGZSA-N 2 2 354.476 0.097 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755477 852481844 /nfs/dbraw/zinc/48/18/44/852481844.db2.gz LGVYMEXMQGRVFV-BRWVUGGUSA-N 2 2 351.495 0.555 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193756461 852483513 /nfs/dbraw/zinc/48/35/13/852483513.db2.gz RKFOYTQMHSMQRE-OWCLPIDISA-N 2 2 350.463 0.739 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193756461 852483517 /nfs/dbraw/zinc/48/35/17/852483517.db2.gz RKFOYTQMHSMQRE-OWCLPIDISA-N 2 2 350.463 0.739 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193765539 852484811 /nfs/dbraw/zinc/48/48/11/852484811.db2.gz AKVZUNMMCHUGCU-JHJVBQTASA-N 2 2 353.385 0.067 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193765539 852484817 /nfs/dbraw/zinc/48/48/17/852484817.db2.gz AKVZUNMMCHUGCU-JHJVBQTASA-N 2 2 353.385 0.067 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)sn1 ZINC001193892465 852501125 /nfs/dbraw/zinc/50/11/25/852501125.db2.gz OSTHVYZFBDWWGQ-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)sn1 ZINC001193892465 852501132 /nfs/dbraw/zinc/50/11/32/852501132.db2.gz OSTHVYZFBDWWGQ-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)sn1 ZINC001193892465 852501137 /nfs/dbraw/zinc/50/11/37/852501137.db2.gz OSTHVYZFBDWWGQ-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)sn1 ZINC001193892465 852501146 /nfs/dbraw/zinc/50/11/46/852501146.db2.gz OSTHVYZFBDWWGQ-FVQBIDKESA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC001194388708 852589831 /nfs/dbraw/zinc/58/98/31/852589831.db2.gz MHZFJGJBBULPNR-UHFFFAOYSA-N 2 2 358.439 0.907 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)n3cnc(C[NH3+])cc3=N)cc2Cl)CC1 ZINC001194692754 852632730 /nfs/dbraw/zinc/63/27/30/852632730.db2.gz OOWLYDZBBQNDBU-UHFFFAOYSA-N 2 2 360.849 0.915 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001194908565 852670186 /nfs/dbraw/zinc/67/01/86/852670186.db2.gz FJCABIMZWDVRKP-QDIHITRGSA-N 2 2 350.463 0.329 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001194908565 852670195 /nfs/dbraw/zinc/67/01/95/852670195.db2.gz FJCABIMZWDVRKP-QDIHITRGSA-N 2 2 350.463 0.329 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3nnc(N)o3)CC2)CC1 ZINC001195719402 852817470 /nfs/dbraw/zinc/81/74/70/852817470.db2.gz DYLMIGULZYJDLE-UHFFFAOYSA-N 2 2 350.467 0.820 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001196631901 852989395 /nfs/dbraw/zinc/98/93/95/852989395.db2.gz QHXKDZHNUQNOPO-QLFBSQMISA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1O ZINC001196631901 852989401 /nfs/dbraw/zinc/98/94/01/852989401.db2.gz QHXKDZHNUQNOPO-QLFBSQMISA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001196631901 852989406 /nfs/dbraw/zinc/98/94/06/852989406.db2.gz QHXKDZHNUQNOPO-QLFBSQMISA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001196631901 852989414 /nfs/dbraw/zinc/98/94/14/852989414.db2.gz QHXKDZHNUQNOPO-QLFBSQMISA-N 2 2 363.449 0.692 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001196645865 852992172 /nfs/dbraw/zinc/99/21/72/852992172.db2.gz UXNWHOLVWJENNK-ZIAGYGMSSA-N 2 2 367.412 0.459 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)CC1 ZINC001196645865 852992173 /nfs/dbraw/zinc/99/21/73/852992173.db2.gz UXNWHOLVWJENNK-ZIAGYGMSSA-N 2 2 367.412 0.459 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC001196673255 852993936 /nfs/dbraw/zinc/99/39/36/852993936.db2.gz FMZABHYGRMOQQR-UHFFFAOYSA-N 2 2 371.595 0.543 20 0 FCADLP CC[NH+](CC)CCCNC(=S)N1CC[NH+](CCN2CCOCC2)CC1 ZINC001196673255 852993944 /nfs/dbraw/zinc/99/39/44/852993944.db2.gz FMZABHYGRMOQQR-UHFFFAOYSA-N 2 2 371.595 0.543 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001196920510 853030949 /nfs/dbraw/zinc/03/09/49/853030949.db2.gz ZXFRFSUHBHQEDI-IAGOWNOFSA-N 2 2 350.463 0.560 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001196920510 853030954 /nfs/dbraw/zinc/03/09/54/853030954.db2.gz ZXFRFSUHBHQEDI-IAGOWNOFSA-N 2 2 350.463 0.560 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1O ZINC001197001032 853046834 /nfs/dbraw/zinc/04/68/34/853046834.db2.gz PWSGLNSIUGOZEN-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1O ZINC001197001032 853046843 /nfs/dbraw/zinc/04/68/43/853046843.db2.gz PWSGLNSIUGOZEN-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001197001032 853046853 /nfs/dbraw/zinc/04/68/53/853046853.db2.gz PWSGLNSIUGOZEN-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001197001032 853046860 /nfs/dbraw/zinc/04/68/60/853046860.db2.gz PWSGLNSIUGOZEN-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001198672913 853299090 /nfs/dbraw/zinc/29/90/90/853299090.db2.gz TZZWKYBRMMJAAV-VXGBXAGGSA-N 2 2 371.375 0.161 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001198672913 853299099 /nfs/dbraw/zinc/29/90/99/853299099.db2.gz TZZWKYBRMMJAAV-VXGBXAGGSA-N 2 2 371.375 0.161 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[NH2+]CCO ZINC001198777049 853317429 /nfs/dbraw/zinc/31/74/29/853317429.db2.gz WJDGFLIHDYZRDE-UKPHBRMFSA-N 2 2 351.447 0.154 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[NH2+]CCO ZINC001198777049 853317438 /nfs/dbraw/zinc/31/74/38/853317438.db2.gz WJDGFLIHDYZRDE-UKPHBRMFSA-N 2 2 351.447 0.154 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001199111869 853371262 /nfs/dbraw/zinc/37/12/62/853371262.db2.gz PUPFPHLFIZOWJF-HZPDHXFCSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001199111869 853371270 /nfs/dbraw/zinc/37/12/70/853371270.db2.gz PUPFPHLFIZOWJF-HZPDHXFCSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001199111869 853371280 /nfs/dbraw/zinc/37/12/80/853371280.db2.gz PUPFPHLFIZOWJF-HZPDHXFCSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001199111869 853371287 /nfs/dbraw/zinc/37/12/87/853371287.db2.gz PUPFPHLFIZOWJF-HZPDHXFCSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001199127960 853375099 /nfs/dbraw/zinc/37/50/99/853375099.db2.gz LXZVAWMDBCPOTI-FMKPAKJESA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001199127960 853375102 /nfs/dbraw/zinc/37/51/02/853375102.db2.gz LXZVAWMDBCPOTI-FMKPAKJESA-N 2 2 363.449 0.550 20 0 FCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=S)NCCC[NH+]1CCOCC1 ZINC001199942957 853464165 /nfs/dbraw/zinc/46/41/65/853464165.db2.gz TWUZVMASRXPLAK-DLBZAZTESA-N 2 2 369.579 0.293 20 0 FCADLP S=C(NCC[NH+]1CCCCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001200417841 853495900 /nfs/dbraw/zinc/49/59/00/853495900.db2.gz ICPMGOONTYSOMT-UHFFFAOYSA-N 2 2 366.535 0.988 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=S)NCC[NH+]1CCCCC1 ZINC001200444446 853498171 /nfs/dbraw/zinc/49/81/71/853498171.db2.gz IYYPLHXGYYDWDJ-HNNXBMFYSA-N 2 2 367.519 0.844 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014796 853779667 /nfs/dbraw/zinc/77/96/67/853779667.db2.gz JFLQADHVQSZVQW-VNQPRFMTSA-N 2 2 350.463 0.206 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014796 853779672 /nfs/dbraw/zinc/77/96/72/853779672.db2.gz JFLQADHVQSZVQW-VNQPRFMTSA-N 2 2 350.463 0.206 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540794 853822451 /nfs/dbraw/zinc/82/24/51/853822451.db2.gz FBUJGUKXLSJMMZ-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207540794 853822453 /nfs/dbraw/zinc/82/24/53/853822453.db2.gz FBUJGUKXLSJMMZ-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540794 853822456 /nfs/dbraw/zinc/82/24/56/853822456.db2.gz FBUJGUKXLSJMMZ-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540794 853822458 /nfs/dbraw/zinc/82/24/58/853822458.db2.gz FBUJGUKXLSJMMZ-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686895 853841598 /nfs/dbraw/zinc/84/15/98/853841598.db2.gz RECGLXRGECCDJV-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207686895 853841603 /nfs/dbraw/zinc/84/16/03/853841603.db2.gz RECGLXRGECCDJV-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207686895 853841606 /nfs/dbraw/zinc/84/16/06/853841606.db2.gz RECGLXRGECCDJV-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207686895 853841609 /nfs/dbraw/zinc/84/16/09/853841609.db2.gz RECGLXRGECCDJV-KLHDSHLOSA-N 2 2 354.495 0.009 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734313 853852026 /nfs/dbraw/zinc/85/20/26/853852026.db2.gz SOWBBAWRJIKLES-BFYDXBDKSA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207734313 853852031 /nfs/dbraw/zinc/85/20/31/853852031.db2.gz SOWBBAWRJIKLES-BFYDXBDKSA-N 2 2 350.463 0.545 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247396 853906262 /nfs/dbraw/zinc/90/62/62/853906262.db2.gz FDUNBXASQYXUSM-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247396 853906268 /nfs/dbraw/zinc/90/62/68/853906268.db2.gz FDUNBXASQYXUSM-IXDOHACOSA-N 2 2 350.463 0.905 20 0 FCADLP C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001208434313 853933153 /nfs/dbraw/zinc/93/31/53/853933153.db2.gz QDLTUNFKBFDWBW-UHFFFAOYSA-N 2 2 358.483 0.682 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001208571687 853954246 /nfs/dbraw/zinc/95/42/46/853954246.db2.gz PWHPWTAZMHGGSK-MGPQQGTHSA-N 2 2 352.483 0.165 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)[NH+](CC)CC ZINC001208571687 853954247 /nfs/dbraw/zinc/95/42/47/853954247.db2.gz PWHPWTAZMHGGSK-MGPQQGTHSA-N 2 2 352.483 0.165 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001209634905 854042278 /nfs/dbraw/zinc/04/22/78/854042278.db2.gz LTGDIYRJBFZWHO-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001209634905 854042288 /nfs/dbraw/zinc/04/22/88/854042288.db2.gz LTGDIYRJBFZWHO-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285496 854095707 /nfs/dbraw/zinc/09/57/07/854095707.db2.gz ZMMBTMAKBUZAOG-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285496 854095709 /nfs/dbraw/zinc/09/57/09/854095709.db2.gz ZMMBTMAKBUZAOG-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001210604860 854120554 /nfs/dbraw/zinc/12/05/54/854120554.db2.gz OPTFUSMVJFVXQE-IUODEOHRSA-N 2 2 350.467 0.405 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1C ZINC001210604860 854120555 /nfs/dbraw/zinc/12/05/55/854120555.db2.gz OPTFUSMVJFVXQE-IUODEOHRSA-N 2 2 350.467 0.405 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046806 854150284 /nfs/dbraw/zinc/15/02/84/854150284.db2.gz VWMSOYZNJSFDDI-IIAWOOMASA-N 2 2 350.463 0.888 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046806 854150289 /nfs/dbraw/zinc/15/02/89/854150289.db2.gz VWMSOYZNJSFDDI-IIAWOOMASA-N 2 2 350.463 0.888 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212200999 854403012 /nfs/dbraw/zinc/40/30/12/854403012.db2.gz KMWQHVAWBUAAAK-OWCLPIDISA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212200999 854403014 /nfs/dbraw/zinc/40/30/14/854403014.db2.gz KMWQHVAWBUAAAK-OWCLPIDISA-N 2 2 350.463 0.973 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301267 854432296 /nfs/dbraw/zinc/43/22/96/854432296.db2.gz LFVDCYATWNXGII-HZPDHXFCSA-N 2 2 350.463 0.614 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301267 854432302 /nfs/dbraw/zinc/43/23/02/854432302.db2.gz LFVDCYATWNXGII-HZPDHXFCSA-N 2 2 350.463 0.614 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212350644 854446213 /nfs/dbraw/zinc/44/62/13/854446213.db2.gz AJRKBRWHSCPEPS-RBSFLKMASA-N 2 2 371.503 0.246 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212350644 854446219 /nfs/dbraw/zinc/44/62/19/854446219.db2.gz AJRKBRWHSCPEPS-RBSFLKMASA-N 2 2 371.503 0.246 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212350646 854446476 /nfs/dbraw/zinc/44/64/76/854446476.db2.gz AJRKBRWHSCPEPS-RRFJBIMHSA-N 2 2 371.503 0.246 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](OC)C1 ZINC001212350646 854446481 /nfs/dbraw/zinc/44/64/81/854446481.db2.gz AJRKBRWHSCPEPS-RRFJBIMHSA-N 2 2 371.503 0.246 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409729 854467141 /nfs/dbraw/zinc/46/71/41/854467141.db2.gz KYKWCEFMHOZZJB-BFYDXBDKSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409729 854467143 /nfs/dbraw/zinc/46/71/43/854467143.db2.gz KYKWCEFMHOZZJB-BFYDXBDKSA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1OC)[NH+](C)C ZINC001212460107 854488153 /nfs/dbraw/zinc/48/81/53/854488153.db2.gz DPYPSHKOTQYIQB-IIAWOOMASA-N 2 2 352.483 0.262 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC)[NH+](C)C ZINC001212460107 854488161 /nfs/dbraw/zinc/48/81/61/854488161.db2.gz DPYPSHKOTQYIQB-IIAWOOMASA-N 2 2 352.483 0.262 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001212484950 854497186 /nfs/dbraw/zinc/49/71/86/854497186.db2.gz KVIDPLCMBUTWOC-DJIMGWMZSA-N 2 2 350.463 0.686 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001212484950 854497187 /nfs/dbraw/zinc/49/71/87/854497187.db2.gz KVIDPLCMBUTWOC-DJIMGWMZSA-N 2 2 350.463 0.686 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212486846 854498731 /nfs/dbraw/zinc/49/87/31/854498731.db2.gz GOPHARSBBZOKTK-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212486846 854498735 /nfs/dbraw/zinc/49/87/35/854498735.db2.gz GOPHARSBBZOKTK-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212496122 854501554 /nfs/dbraw/zinc/50/15/54/854501554.db2.gz ZYFRDGAJMQDGIC-HZPDHXFCSA-N 2 2 354.451 0.592 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212496122 854501557 /nfs/dbraw/zinc/50/15/57/854501557.db2.gz ZYFRDGAJMQDGIC-HZPDHXFCSA-N 2 2 354.451 0.592 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167670 854521270 /nfs/dbraw/zinc/52/12/70/854521270.db2.gz FDABYCCGFKQEDF-CHWSQXEVSA-N 2 2 364.368 0.586 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167670 854521274 /nfs/dbraw/zinc/52/12/74/854521274.db2.gz FDABYCCGFKQEDF-CHWSQXEVSA-N 2 2 364.368 0.586 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@H](OC)C2)C1 ZINC001213241977 854548116 /nfs/dbraw/zinc/54/81/16/854548116.db2.gz XTNJNMGDKQSHBT-BHUNQDJPSA-N 2 2 350.463 0.904 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@H](OC)C2)C1 ZINC001213241977 854548124 /nfs/dbraw/zinc/54/81/24/854548124.db2.gz XTNJNMGDKQSHBT-BHUNQDJPSA-N 2 2 350.463 0.904 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213435006 854614727 /nfs/dbraw/zinc/61/47/27/854614727.db2.gz PPJWVCJSVRAKSD-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213435006 854614732 /nfs/dbraw/zinc/61/47/32/854614732.db2.gz PPJWVCJSVRAKSD-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446381 854619949 /nfs/dbraw/zinc/61/99/49/854619949.db2.gz KFNJZCYFRNYSEP-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446381 854619950 /nfs/dbraw/zinc/61/99/50/854619950.db2.gz KFNJZCYFRNYSEP-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446381 854619951 /nfs/dbraw/zinc/61/99/51/854619951.db2.gz KFNJZCYFRNYSEP-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cncn2C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446381 854619952 /nfs/dbraw/zinc/61/99/52/854619952.db2.gz KFNJZCYFRNYSEP-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446844 854620485 /nfs/dbraw/zinc/62/04/85/854620485.db2.gz VFUNQHOSKHMINF-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446844 854620495 /nfs/dbraw/zinc/62/04/95/854620495.db2.gz VFUNQHOSKHMINF-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446844 854620503 /nfs/dbraw/zinc/62/05/03/854620503.db2.gz VFUNQHOSKHMINF-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446844 854620511 /nfs/dbraw/zinc/62/05/11/854620511.db2.gz VFUNQHOSKHMINF-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213588316 854676978 /nfs/dbraw/zinc/67/69/78/854676978.db2.gz ACBMPANXFDMOTC-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213588316 854676984 /nfs/dbraw/zinc/67/69/84/854676984.db2.gz ACBMPANXFDMOTC-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213588316 854676992 /nfs/dbraw/zinc/67/69/92/854676992.db2.gz ACBMPANXFDMOTC-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213588316 854677000 /nfs/dbraw/zinc/67/70/00/854677000.db2.gz ACBMPANXFDMOTC-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001213756292 854752677 /nfs/dbraw/zinc/75/26/77/854752677.db2.gz PQQLJPNYRILEHA-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001213756292 854752680 /nfs/dbraw/zinc/75/26/80/854752680.db2.gz PQQLJPNYRILEHA-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001213756292 854752684 /nfs/dbraw/zinc/75/26/84/854752684.db2.gz PQQLJPNYRILEHA-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001213756292 854752689 /nfs/dbraw/zinc/75/26/89/854752689.db2.gz PQQLJPNYRILEHA-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213757567 854753841 /nfs/dbraw/zinc/75/38/41/854753841.db2.gz NYATYXLOZGGRTK-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213757567 854753845 /nfs/dbraw/zinc/75/38/45/854753845.db2.gz NYATYXLOZGGRTK-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213757567 854753849 /nfs/dbraw/zinc/75/38/49/854753849.db2.gz NYATYXLOZGGRTK-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213757567 854753851 /nfs/dbraw/zinc/75/38/51/854753851.db2.gz NYATYXLOZGGRTK-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769091 854759873 /nfs/dbraw/zinc/75/98/73/854759873.db2.gz HTVCZLBEMYERRG-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769091 854759878 /nfs/dbraw/zinc/75/98/78/854759878.db2.gz HTVCZLBEMYERRG-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769091 854759883 /nfs/dbraw/zinc/75/98/83/854759883.db2.gz HTVCZLBEMYERRG-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213769091 854759886 /nfs/dbraw/zinc/75/98/86/854759886.db2.gz HTVCZLBEMYERRG-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814485 855017420 /nfs/dbraw/zinc/01/74/20/855017420.db2.gz XGAFKDZNSBJBCX-GDBMZVCRSA-N 2 2 370.519 0.992 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814485 855017429 /nfs/dbraw/zinc/01/74/29/855017429.db2.gz XGAFKDZNSBJBCX-GDBMZVCRSA-N 2 2 370.519 0.992 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001215226669 855084721 /nfs/dbraw/zinc/08/47/21/855084721.db2.gz OVGYIQFBRKLNDB-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001215226669 855084724 /nfs/dbraw/zinc/08/47/24/855084724.db2.gz OVGYIQFBRKLNDB-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001215452679 855117129 /nfs/dbraw/zinc/11/71/29/855117129.db2.gz UWQPFNYOTVHNIX-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CC[N@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001215452679 855117132 /nfs/dbraw/zinc/11/71/32/855117132.db2.gz UWQPFNYOTVHNIX-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001216490808 855207184 /nfs/dbraw/zinc/20/71/84/855207184.db2.gz POLUPJXESVOVGE-ZIAGYGMSSA-N 2 2 353.467 0.884 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001216490808 855207189 /nfs/dbraw/zinc/20/71/89/855207189.db2.gz POLUPJXESVOVGE-ZIAGYGMSSA-N 2 2 353.467 0.884 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]21)[NH+](C)C ZINC001218162092 855402718 /nfs/dbraw/zinc/40/27/18/855402718.db2.gz MWQRWRSMZNSXJH-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]21)[NH+](C)C ZINC001218162092 855402720 /nfs/dbraw/zinc/40/27/20/855402720.db2.gz MWQRWRSMZNSXJH-OWCLPIDISA-N 2 2 354.495 0.105 20 0 FCADLP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H](C)C[NH+]1CCOCC1 ZINC001218213858 855407159 /nfs/dbraw/zinc/40/71/59/855407159.db2.gz LEIXBHGKMDNVMQ-SNVBAGLBSA-N 2 2 354.407 0.262 20 0 FCADLP COC(=O)c1nc(Br)cnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218524845 855433894 /nfs/dbraw/zinc/43/38/94/855433894.db2.gz OOGXOWVIKWMHKH-UHFFFAOYSA-N 2 2 372.223 0.306 20 0 FCADLP CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218546408 855437313 /nfs/dbraw/zinc/43/73/13/855437313.db2.gz CBAYQRGOLWVHEJ-ZJUUUORDSA-N 2 2 368.459 0.563 20 0 FCADLP O=C(Nc1n[nH]c2ncc(Br)cc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563364 855439694 /nfs/dbraw/zinc/43/96/94/855439694.db2.gz LJIDXPDKSIVGOF-SECBINFHSA-N 2 2 351.208 0.468 20 0 FCADLP Cc1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(Br)nc1Br ZINC001218605729 855447566 /nfs/dbraw/zinc/44/75/66/855447566.db2.gz ISVJVOVPFPYQDA-YFKPBYRVSA-N 2 2 367.045 0.925 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cc(I)c3nccn3c2)C1 ZINC001218675634 855461516 /nfs/dbraw/zinc/46/15/16/855461516.db2.gz VDFKVDZSXBBMEN-XVKPBYJWSA-N 2 2 371.182 0.567 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(I)c3nccn3c2)C1 ZINC001218675631 855461607 /nfs/dbraw/zinc/46/16/07/855461607.db2.gz VDFKVDZSXBBMEN-XCBNKYQSSA-N 2 2 371.182 0.567 20 0 FCADLP COC(=O)c1cc(Br)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1OC ZINC001218866279 855488390 /nfs/dbraw/zinc/48/83/90/855488390.db2.gz VROBGMPNXDSJCJ-VIFPVBQESA-N 2 2 360.208 0.859 20 0 FCADLP CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001218890868 855491859 /nfs/dbraw/zinc/49/18/59/855491859.db2.gz JNWGKYMIPDZFET-HNNXBMFYSA-N 2 2 365.459 0.020 20 0 FCADLP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219460208 855678431 /nfs/dbraw/zinc/67/84/31/855678431.db2.gz QCWMNMJAONBIQZ-GJZGRUSLSA-N 2 2 354.401 0.905 20 0 FCADLP COC(=O)NC(=S)N(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1N ZINC001219552262 855710701 /nfs/dbraw/zinc/71/07/01/855710701.db2.gz XXCRWQGTQDABPU-CYBMUJFWSA-N 2 2 365.459 0.570 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663290 855759569 /nfs/dbraw/zinc/75/95/69/855759569.db2.gz XPKLXIMSRIUZPW-BMFZPTHFSA-N 2 2 350.463 0.084 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663290 855759574 /nfs/dbraw/zinc/75/95/74/855759574.db2.gz XPKLXIMSRIUZPW-BMFZPTHFSA-N 2 2 350.463 0.084 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802025 855821033 /nfs/dbraw/zinc/82/10/33/855821033.db2.gz DRMHQVAMOKXWSU-CABCVRRESA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802025 855821043 /nfs/dbraw/zinc/82/10/43/855821043.db2.gz DRMHQVAMOKXWSU-CABCVRRESA-N 2 2 350.463 0.691 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812051 855828217 /nfs/dbraw/zinc/82/82/17/855828217.db2.gz JKOVHJDPCHIVGK-CVEARBPZSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812051 855828220 /nfs/dbraw/zinc/82/82/20/855828220.db2.gz JKOVHJDPCHIVGK-CVEARBPZSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812051 855828223 /nfs/dbraw/zinc/82/82/23/855828223.db2.gz JKOVHJDPCHIVGK-CVEARBPZSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812051 855828227 /nfs/dbraw/zinc/82/82/27/855828227.db2.gz JKOVHJDPCHIVGK-CVEARBPZSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)o1 ZINC001219829940 855834566 /nfs/dbraw/zinc/83/45/66/855834566.db2.gz JCVFBEXLGSKKJV-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)o1 ZINC001219829940 855834575 /nfs/dbraw/zinc/83/45/75/855834575.db2.gz JCVFBEXLGSKKJV-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)o1 ZINC001219829940 855834579 /nfs/dbraw/zinc/83/45/79/855834579.db2.gz JCVFBEXLGSKKJV-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)o1 ZINC001219829940 855834586 /nfs/dbraw/zinc/83/45/86/855834586.db2.gz JCVFBEXLGSKKJV-OAGGEKHMSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001219906836 855874733 /nfs/dbraw/zinc/87/47/33/855874733.db2.gz ZQKHPIZUZJXSRV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001219906836 855874734 /nfs/dbraw/zinc/87/47/34/855874734.db2.gz ZQKHPIZUZJXSRV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001219906836 855874736 /nfs/dbraw/zinc/87/47/36/855874736.db2.gz ZQKHPIZUZJXSRV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@@H]1O ZINC001219906836 855874739 /nfs/dbraw/zinc/87/47/39/855874739.db2.gz ZQKHPIZUZJXSRV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219928165 855881779 /nfs/dbraw/zinc/88/17/79/855881779.db2.gz SVKJTZXCVCUYCK-ILXRZTDVSA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001219928165 855881781 /nfs/dbraw/zinc/88/17/81/855881781.db2.gz SVKJTZXCVCUYCK-ILXRZTDVSA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219928165 855881783 /nfs/dbraw/zinc/88/17/83/855881783.db2.gz SVKJTZXCVCUYCK-ILXRZTDVSA-N 2 2 363.449 0.550 20 0 FCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219928165 855881787 /nfs/dbraw/zinc/88/17/87/855881787.db2.gz SVKJTZXCVCUYCK-ILXRZTDVSA-N 2 2 363.449 0.550 20 0 FCADLP C[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)C1 ZINC001220013423 855917768 /nfs/dbraw/zinc/91/77/68/855917768.db2.gz VJRMKUWRDULDDN-LBPRGKRZSA-N 2 2 359.211 0.591 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016359 855920080 /nfs/dbraw/zinc/92/00/80/855920080.db2.gz ROAZKJFCEULQAJ-UNEWFSDZSA-N 2 2 350.463 0.084 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016359 855920090 /nfs/dbraw/zinc/92/00/90/855920090.db2.gz ROAZKJFCEULQAJ-UNEWFSDZSA-N 2 2 350.463 0.084 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220051594 855933790 /nfs/dbraw/zinc/93/37/90/855933790.db2.gz IHRLEFKRWFMMNZ-MJBXVCDLSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220051594 855933793 /nfs/dbraw/zinc/93/37/93/855933793.db2.gz IHRLEFKRWFMMNZ-MJBXVCDLSA-N 2 2 356.417 0.949 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)[C@@H](O)C2)C1 ZINC001220053309 855934732 /nfs/dbraw/zinc/93/47/32/855934732.db2.gz FJCABIMZWDVRKP-FJBKBRRZSA-N 2 2 350.463 0.329 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)[C@@H](O)C2)C1 ZINC001220053309 855934734 /nfs/dbraw/zinc/93/47/34/855934734.db2.gz FJCABIMZWDVRKP-FJBKBRRZSA-N 2 2 350.463 0.329 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cs1 ZINC001220128558 855974191 /nfs/dbraw/zinc/97/41/91/855974191.db2.gz JLFQAMUQXQCFOB-ZDUSSCGKSA-N 3 2 369.560 0.363 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220232446 856024249 /nfs/dbraw/zinc/02/42/49/856024249.db2.gz WRTPYQHMNYWFJA-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220232446 856024258 /nfs/dbraw/zinc/02/42/58/856024258.db2.gz WRTPYQHMNYWFJA-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220237149 856025738 /nfs/dbraw/zinc/02/57/38/856025738.db2.gz OUMBHQFEYOBWOM-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001220237149 856025752 /nfs/dbraw/zinc/02/57/52/856025752.db2.gz OUMBHQFEYOBWOM-ZACQAIPSSA-N 2 2 369.893 0.877 20 0 FCADLP COCCn1c[nH+]cc1CNC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001220274412 856040229 /nfs/dbraw/zinc/04/02/29/856040229.db2.gz BEXNKNAHGDJEAC-ZDUSSCGKSA-N 2 2 354.451 0.985 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@@H]1O)[NH+](CC)CC ZINC001220344930 856077027 /nfs/dbraw/zinc/07/70/27/856077027.db2.gz LMDQAKZUYLQZDG-PMPSAXMXSA-N 2 2 356.511 0.137 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@@H]1O)[NH+](CC)CC ZINC001220344930 856077032 /nfs/dbraw/zinc/07/70/32/856077032.db2.gz LMDQAKZUYLQZDG-PMPSAXMXSA-N 2 2 356.511 0.137 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220366866 856087537 /nfs/dbraw/zinc/08/75/37/856087537.db2.gz FWPKERKTGDSDGE-CVEARBPZSA-N 2 2 352.479 0.876 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220366866 856087546 /nfs/dbraw/zinc/08/75/46/856087546.db2.gz FWPKERKTGDSDGE-CVEARBPZSA-N 2 2 352.479 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220366866 856087553 /nfs/dbraw/zinc/08/75/53/856087553.db2.gz FWPKERKTGDSDGE-CVEARBPZSA-N 2 2 352.479 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220366866 856087558 /nfs/dbraw/zinc/08/75/58/856087558.db2.gz FWPKERKTGDSDGE-CVEARBPZSA-N 2 2 352.479 0.876 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O)[NH+](C)C ZINC001220380261 856096879 /nfs/dbraw/zinc/09/68/79/856096879.db2.gz WIDCFUVKDOVQQR-IKGGRYGDSA-N 2 2 351.495 0.774 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O)[NH+](C)C ZINC001220380261 856096882 /nfs/dbraw/zinc/09/68/82/856096882.db2.gz WIDCFUVKDOVQQR-IKGGRYGDSA-N 2 2 351.495 0.774 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001220478924 856146610 /nfs/dbraw/zinc/14/66/10/856146610.db2.gz QHXKDZHNUQNOPO-ILXRZTDVSA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001220478924 856146613 /nfs/dbraw/zinc/14/66/13/856146613.db2.gz QHXKDZHNUQNOPO-ILXRZTDVSA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220478924 856146618 /nfs/dbraw/zinc/14/66/18/856146618.db2.gz QHXKDZHNUQNOPO-ILXRZTDVSA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220478924 856146620 /nfs/dbraw/zinc/14/66/20/856146620.db2.gz QHXKDZHNUQNOPO-ILXRZTDVSA-N 2 2 363.449 0.692 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220578920 856192360 /nfs/dbraw/zinc/19/23/60/856192360.db2.gz WSTYGFJYGXFZOU-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220578920 856192364 /nfs/dbraw/zinc/19/23/64/856192364.db2.gz WSTYGFJYGXFZOU-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220768275 856289472 /nfs/dbraw/zinc/28/94/72/856289472.db2.gz DRCYKBKTFXLQAD-CVEARBPZSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220768275 856289479 /nfs/dbraw/zinc/28/94/79/856289479.db2.gz DRCYKBKTFXLQAD-CVEARBPZSA-N 2 2 355.866 0.580 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802420 856307937 /nfs/dbraw/zinc/30/79/37/856307937.db2.gz WWPZANBNUGGZNT-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802420 856307946 /nfs/dbraw/zinc/30/79/46/856307946.db2.gz WWPZANBNUGGZNT-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816788 856318241 /nfs/dbraw/zinc/31/82/41/856318241.db2.gz AKPZKWLXTRMKAA-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816788 856318246 /nfs/dbraw/zinc/31/82/46/856318246.db2.gz AKPZKWLXTRMKAA-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816788 856318250 /nfs/dbraw/zinc/31/82/50/856318250.db2.gz AKPZKWLXTRMKAA-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1O ZINC001220816788 856318260 /nfs/dbraw/zinc/31/82/60/856318260.db2.gz AKPZKWLXTRMKAA-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822154 856323514 /nfs/dbraw/zinc/32/35/14/856323514.db2.gz QHXHKPUQSCHEGZ-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822154 856323517 /nfs/dbraw/zinc/32/35/17/856323517.db2.gz QHXHKPUQSCHEGZ-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822154 856323522 /nfs/dbraw/zinc/32/35/22/856323522.db2.gz QHXHKPUQSCHEGZ-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@@H]1O ZINC001220822154 856323529 /nfs/dbraw/zinc/32/35/29/856323529.db2.gz QHXHKPUQSCHEGZ-IMJJTQAJSA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821735 856323832 /nfs/dbraw/zinc/32/38/32/856323832.db2.gz FQWSPUWGBPQARD-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821735 856323835 /nfs/dbraw/zinc/32/38/35/856323835.db2.gz FQWSPUWGBPQARD-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821735 856323838 /nfs/dbraw/zinc/32/38/38/856323838.db2.gz FQWSPUWGBPQARD-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220821735 856323841 /nfs/dbraw/zinc/32/38/41/856323841.db2.gz FQWSPUWGBPQARD-KFWWJZLASA-N 2 2 356.511 0.183 20 0 FCADLP [NH3+]CCNCC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001220918679 856374456 /nfs/dbraw/zinc/37/44/56/856374456.db2.gz BHPMLRKTUQKOJW-AWEZNQCLSA-N 2 2 355.280 0.688 20 0 FCADLP [NH3+]CCNCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001220918679 856374465 /nfs/dbraw/zinc/37/44/65/856374465.db2.gz BHPMLRKTUQKOJW-AWEZNQCLSA-N 2 2 355.280 0.688 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220968907 856399733 /nfs/dbraw/zinc/39/97/33/856399733.db2.gz HYNQZZSHLZJSGU-HNNXBMFYSA-N 3 2 363.487 0.575 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)o1 ZINC001221081818 856454107 /nfs/dbraw/zinc/45/41/07/856454107.db2.gz UUYYSCLERSJBRL-CVEARBPZSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)o1 ZINC001221081818 856454113 /nfs/dbraw/zinc/45/41/13/856454113.db2.gz UUYYSCLERSJBRL-CVEARBPZSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)on1 ZINC001221154804 856488050 /nfs/dbraw/zinc/48/80/50/856488050.db2.gz WBNAIIIWGCQESN-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)on1 ZINC001221154804 856488055 /nfs/dbraw/zinc/48/80/55/856488055.db2.gz WBNAIIIWGCQESN-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221161413 856493191 /nfs/dbraw/zinc/49/31/91/856493191.db2.gz KXNBITKUDZCZKJ-ZACQAIPSSA-N 2 2 350.463 0.784 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001221161413 856493198 /nfs/dbraw/zinc/49/31/98/856493198.db2.gz KXNBITKUDZCZKJ-ZACQAIPSSA-N 2 2 350.463 0.784 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557457 856606083 /nfs/dbraw/zinc/60/60/83/856606083.db2.gz PAWGCIWCJQXFLV-BRWVUGGUSA-N 2 2 369.531 0.296 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557457 856606089 /nfs/dbraw/zinc/60/60/89/856606089.db2.gz PAWGCIWCJQXFLV-BRWVUGGUSA-N 2 2 369.531 0.296 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221595209 856620432 /nfs/dbraw/zinc/62/04/32/856620432.db2.gz XJABAACRZKTWNO-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221595209 856620435 /nfs/dbraw/zinc/62/04/35/856620435.db2.gz XJABAACRZKTWNO-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001221595209 856620438 /nfs/dbraw/zinc/62/04/38/856620438.db2.gz XJABAACRZKTWNO-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001221595209 856620441 /nfs/dbraw/zinc/62/04/41/856620441.db2.gz XJABAACRZKTWNO-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648169 856638485 /nfs/dbraw/zinc/63/84/85/856638485.db2.gz UHIPIPOXFAZTQQ-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648169 856638489 /nfs/dbraw/zinc/63/84/89/856638489.db2.gz UHIPIPOXFAZTQQ-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648169 856638497 /nfs/dbraw/zinc/63/84/97/856638497.db2.gz UHIPIPOXFAZTQQ-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221648169 856638505 /nfs/dbraw/zinc/63/85/05/856638505.db2.gz UHIPIPOXFAZTQQ-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221729460 856667709 /nfs/dbraw/zinc/66/77/09/856667709.db2.gz OXPUTRDGKHKTDA-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221729460 856667712 /nfs/dbraw/zinc/66/77/12/856667712.db2.gz OXPUTRDGKHKTDA-HZPDHXFCSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761855 856674778 /nfs/dbraw/zinc/67/47/78/856674778.db2.gz GCSCAHXVRDLZLL-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761855 856674780 /nfs/dbraw/zinc/67/47/80/856674780.db2.gz GCSCAHXVRDLZLL-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761855 856674782 /nfs/dbraw/zinc/67/47/82/856674782.db2.gz GCSCAHXVRDLZLL-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761855 856674783 /nfs/dbraw/zinc/67/47/83/856674783.db2.gz GCSCAHXVRDLZLL-IXDOHACOSA-N 2 2 350.507 0.777 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221772642 856676929 /nfs/dbraw/zinc/67/69/29/856676929.db2.gz IMQDWSCZABVOGM-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221772642 856676934 /nfs/dbraw/zinc/67/69/34/856676934.db2.gz IMQDWSCZABVOGM-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001221767127 856677219 /nfs/dbraw/zinc/67/72/19/856677219.db2.gz LVVRJNNBHILFMI-MWDXBVQZSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001221767127 856677223 /nfs/dbraw/zinc/67/72/23/856677223.db2.gz LVVRJNNBHILFMI-MWDXBVQZSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221767127 856677230 /nfs/dbraw/zinc/67/72/30/856677230.db2.gz LVVRJNNBHILFMI-MWDXBVQZSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221767127 856677239 /nfs/dbraw/zinc/67/72/39/856677239.db2.gz LVVRJNNBHILFMI-MWDXBVQZSA-N 2 2 371.547 0.684 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777182 856678552 /nfs/dbraw/zinc/67/85/52/856678552.db2.gz VYUYWJFICHAHMS-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777182 856678555 /nfs/dbraw/zinc/67/85/55/856678555.db2.gz VYUYWJFICHAHMS-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221773832 856679034 /nfs/dbraw/zinc/67/90/34/856679034.db2.gz GPUFEGPXROFVLU-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221773832 856679038 /nfs/dbraw/zinc/67/90/38/856679038.db2.gz GPUFEGPXROFVLU-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848200 856708626 /nfs/dbraw/zinc/70/86/26/856708626.db2.gz DNHLKJSADHBIKI-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221848200 856708628 /nfs/dbraw/zinc/70/86/28/856708628.db2.gz DNHLKJSADHBIKI-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221848200 856708629 /nfs/dbraw/zinc/70/86/29/856708629.db2.gz DNHLKJSADHBIKI-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848200 856708632 /nfs/dbraw/zinc/70/86/32/856708632.db2.gz DNHLKJSADHBIKI-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221878394 856720893 /nfs/dbraw/zinc/72/08/93/856720893.db2.gz PQGSBBKGJNJGSD-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001221878394 856720901 /nfs/dbraw/zinc/72/09/01/856720901.db2.gz PQGSBBKGJNJGSD-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945434 856743786 /nfs/dbraw/zinc/74/37/86/856743786.db2.gz ONCAUHBVWWGSKM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945434 856743791 /nfs/dbraw/zinc/74/37/91/856743791.db2.gz ONCAUHBVWWGSKM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945434 856743793 /nfs/dbraw/zinc/74/37/93/856743793.db2.gz ONCAUHBVWWGSKM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)C1 ZINC001221945434 856743798 /nfs/dbraw/zinc/74/37/98/856743798.db2.gz ONCAUHBVWWGSKM-ARFHVFGLSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018276 856769794 /nfs/dbraw/zinc/76/97/94/856769794.db2.gz VODBQEFEAQTUIK-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018276 856769797 /nfs/dbraw/zinc/76/97/97/856769797.db2.gz VODBQEFEAQTUIK-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001222598484 856857309 /nfs/dbraw/zinc/85/73/09/856857309.db2.gz LFNYRIAYMNUWLT-CVEARBPZSA-N 2 2 350.463 0.928 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001222598484 856857312 /nfs/dbraw/zinc/85/73/12/856857312.db2.gz LFNYRIAYMNUWLT-CVEARBPZSA-N 2 2 350.463 0.928 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001223912001 856951083 /nfs/dbraw/zinc/95/10/83/856951083.db2.gz LPGLWRYXOSLAEP-CABCVRRESA-N 2 2 350.463 0.619 20 0 FCADLP CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)c1c[nH+]c[nH]1 ZINC001223912001 856951086 /nfs/dbraw/zinc/95/10/86/856951086.db2.gz LPGLWRYXOSLAEP-CABCVRRESA-N 2 2 350.463 0.619 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224307243 856977403 /nfs/dbraw/zinc/97/74/03/856977403.db2.gz XQVAABZLUVJZCB-CABCVRRESA-N 2 2 354.476 0.241 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224307243 856977406 /nfs/dbraw/zinc/97/74/06/856977406.db2.gz XQVAABZLUVJZCB-CABCVRRESA-N 2 2 354.476 0.241 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227164463 857146600 /nfs/dbraw/zinc/14/66/00/857146600.db2.gz BZAFQIFFNDHWBD-DJIMGWMZSA-N 2 2 350.463 0.471 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)no1 ZINC001228377405 857207784 /nfs/dbraw/zinc/20/77/84/857207784.db2.gz PICNVJSXBJMONJ-ZIAGYGMSSA-N 2 2 353.467 0.727 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nncs1 ZINC001229141685 857253264 /nfs/dbraw/zinc/25/32/64/857253264.db2.gz HSUHASULZBUDOG-ZIAGYGMSSA-N 2 2 353.492 0.777 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141373 857253333 /nfs/dbraw/zinc/25/33/33/857253333.db2.gz DVCPMAXEOUUMBT-HUUCEWRRSA-N 2 2 351.451 0.617 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001229933437 857292869 /nfs/dbraw/zinc/29/28/69/857292869.db2.gz OMYQLNDHYIZUOW-ZIAGYGMSSA-N 2 2 371.507 0.169 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001229940055 857292733 /nfs/dbraw/zinc/29/27/33/857292733.db2.gz UMQNZTSYIFRXMQ-NWANDNLSSA-N 2 2 370.519 0.958 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001230274609 857322238 /nfs/dbraw/zinc/32/22/38/857322238.db2.gz BZWFKIIKEAPPBS-OAGGEKHMSA-N 2 2 359.536 0.922 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001230274609 857322241 /nfs/dbraw/zinc/32/22/41/857322241.db2.gz BZWFKIIKEAPPBS-OAGGEKHMSA-N 2 2 359.536 0.922 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348090 857327722 /nfs/dbraw/zinc/32/77/22/857327722.db2.gz UKSDTRPKXLUZQR-HUUCEWRRSA-N 2 2 350.467 0.608 20 0 FCADLP CCOC(=O)[C@]12C[N@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H]1C[NH2+]CC2 ZINC001236038934 857435833 /nfs/dbraw/zinc/43/58/33/857435833.db2.gz VCZFNTDIOOLFMJ-NVXWUHKLSA-N 2 2 373.519 0.133 20 0 FCADLP CCOC(=O)[C@]12C[N@@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@H]1C[NH2+]CC2 ZINC001236038934 857435839 /nfs/dbraw/zinc/43/58/39/857435839.db2.gz VCZFNTDIOOLFMJ-NVXWUHKLSA-N 2 2 373.519 0.133 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccccc1I ZINC001238839093 857482520 /nfs/dbraw/zinc/48/25/20/857482520.db2.gz PABMYLDRDJVMFO-UHFFFAOYSA-N 2 2 369.228 0.118 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCC[NH+](C)C2)c1 ZINC001279502797 862919506 /nfs/dbraw/zinc/91/95/06/862919506.db2.gz XLSNLZNNJFKSCS-PMPSAXMXSA-N 2 2 367.519 0.599 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C[C@@H]2CCC[NH+](C)C2)c1 ZINC001279502797 862919518 /nfs/dbraw/zinc/91/95/18/862919518.db2.gz XLSNLZNNJFKSCS-PMPSAXMXSA-N 2 2 367.519 0.599 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[NH+]3C[C@@H]2CCC[N@H+](C)C2)c1 ZINC001279502797 862919531 /nfs/dbraw/zinc/91/95/31/862919531.db2.gz XLSNLZNNJFKSCS-PMPSAXMXSA-N 2 2 367.519 0.599 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[NH+]3C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001279502797 862919537 /nfs/dbraw/zinc/91/95/37/862919537.db2.gz XLSNLZNNJFKSCS-PMPSAXMXSA-N 2 2 367.519 0.599 20 0 FCADLP COc1ccc(OC)c(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001239438190 857529122 /nfs/dbraw/zinc/52/91/22/857529122.db2.gz CUBAEXZQHWSFKW-UHFFFAOYSA-N 2 2 367.519 0.485 20 0 FCADLP O[C@H](C[NH2+]C1(c2cccc(F)c2)CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246008031 857564913 /nfs/dbraw/zinc/56/49/13/857564913.db2.gz RRXJZJRWWBIFBT-KRWDZBQOSA-N 3 2 351.466 0.860 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](n2cc(Br)ccc2=NCCCC[NH3+])C[NH2+]1 ZINC001246330200 857573632 /nfs/dbraw/zinc/57/36/32/857573632.db2.gz VQIKMTVKJHRJFM-OLZOCXBDSA-N 2 2 371.279 0.966 20 0 FCADLP O=S(=O)(c1ccc(F)cc1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246592882 857586148 /nfs/dbraw/zinc/58/61/48/857586148.db2.gz QVYKJVPXZPZCDV-OAHLLOKOSA-N 2 2 368.478 0.226 20 0 FCADLP C[NH+]1CCN(c2cccc(F)c2NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251032314 857687144 /nfs/dbraw/zinc/68/71/44/857687144.db2.gz VETGRZCXCCFGIY-OAHLLOKOSA-N 2 2 352.454 0.683 20 0 FCADLP C[NH+]1CCC(CO)([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251362656 857719519 /nfs/dbraw/zinc/71/95/19/857719519.db2.gz NXYRQMYNAOMCFG-GOSISDBHSA-N 2 2 357.495 0.795 20 0 FCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574795 857731537 /nfs/dbraw/zinc/73/15/37/857731537.db2.gz GIEVDWLZMRACOM-YNEHKIRRSA-N 2 2 358.376 0.917 20 0 FCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574795 857731541 /nfs/dbraw/zinc/73/15/41/857731541.db2.gz GIEVDWLZMRACOM-YNEHKIRRSA-N 2 2 358.376 0.917 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574795 857731548 /nfs/dbraw/zinc/73/15/48/857731548.db2.gz GIEVDWLZMRACOM-YNEHKIRRSA-N 2 2 358.376 0.917 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574795 857731554 /nfs/dbraw/zinc/73/15/54/857731554.db2.gz GIEVDWLZMRACOM-YNEHKIRRSA-N 2 2 358.376 0.917 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252023899 857775479 /nfs/dbraw/zinc/77/54/79/857775479.db2.gz IVKDWNPTDSCGQD-MRXNPFEDSA-N 2 2 352.479 0.688 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001252023899 857775484 /nfs/dbraw/zinc/77/54/84/857775484.db2.gz IVKDWNPTDSCGQD-MRXNPFEDSA-N 2 2 352.479 0.688 20 0 FCADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419746 857803170 /nfs/dbraw/zinc/80/31/70/857803170.db2.gz DXWXLTQUWJJIIB-VNQPRFMTSA-N 2 2 369.487 0.508 20 0 FCADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419746 857803179 /nfs/dbraw/zinc/80/31/79/857803179.db2.gz DXWXLTQUWJJIIB-VNQPRFMTSA-N 2 2 369.487 0.508 20 0 FCADLP COC(=O)[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419746 857803185 /nfs/dbraw/zinc/80/31/85/857803185.db2.gz DXWXLTQUWJJIIB-VNQPRFMTSA-N 2 2 369.487 0.508 20 0 FCADLP COC(=O)[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252419746 857803192 /nfs/dbraw/zinc/80/31/92/857803192.db2.gz DXWXLTQUWJJIIB-VNQPRFMTSA-N 2 2 369.487 0.508 20 0 FCADLP CCCCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252510671 857818652 /nfs/dbraw/zinc/81/86/52/857818652.db2.gz PTMSZDVENKWCSM-INIZCTEOSA-N 2 2 352.479 0.688 20 0 FCADLP CCCCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001252510671 857818659 /nfs/dbraw/zinc/81/86/59/857818659.db2.gz PTMSZDVENKWCSM-INIZCTEOSA-N 2 2 352.479 0.688 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001253212698 857872630 /nfs/dbraw/zinc/87/26/30/857872630.db2.gz OXOAAPBLAOLFGL-KRWDZBQOSA-N 2 2 369.531 0.864 20 0 FCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001253334824 857880354 /nfs/dbraw/zinc/88/03/54/857880354.db2.gz BJNFRZUHCJMMPQ-HNNXBMFYSA-N 2 2 357.495 0.651 20 0 FCADLP CS(=O)(=O)N1CCOCC2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)C1 ZINC001254861931 857989022 /nfs/dbraw/zinc/98/90/22/857989022.db2.gz XHURCYCIEZHBPD-KRWDZBQOSA-N 2 2 371.547 0.845 20 0 FCADLP CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075677 858051817 /nfs/dbraw/zinc/05/18/17/858051817.db2.gz AFVLWMGOIHVQRM-MJGOQNOKSA-N 2 2 351.491 0.999 20 0 FCADLP CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075677 858051827 /nfs/dbraw/zinc/05/18/27/858051827.db2.gz AFVLWMGOIHVQRM-MJGOQNOKSA-N 2 2 351.491 0.999 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077627 858053296 /nfs/dbraw/zinc/05/32/96/858053296.db2.gz RXAPKSZPUHOUBF-KRWDZBQOSA-N 2 2 351.491 0.999 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001258372459 858194319 /nfs/dbraw/zinc/19/43/19/858194319.db2.gz BPQRMXHVTWKWAE-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP O=S1(=O)CCC(O)(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC001261436728 858548082 /nfs/dbraw/zinc/54/80/82/858548082.db2.gz JRKXAWZRJLWHDW-JKSUJKDBSA-N 2 2 360.520 0.284 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001261501670 858570475 /nfs/dbraw/zinc/57/04/75/858570475.db2.gz JMXUSIQUZFIWKI-HNNXBMFYSA-N 2 2 353.463 0.385 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@@H](CC[NH3+])C2)([NH+]2CCOCC2)C1 ZINC001262581017 859007706 /nfs/dbraw/zinc/00/77/06/859007706.db2.gz GHYUGPIHKZDQJM-KLHKWILBSA-N 2 2 354.495 0.637 20 0 FCADLP CSC1(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC[NH+](C)CC1 ZINC001263764506 859206704 /nfs/dbraw/zinc/20/67/04/859206704.db2.gz LFVNSJYQBUFIGB-GJZGRUSLSA-N 2 2 357.568 0.747 20 0 FCADLP CSC1(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC[NH+](C)CC1 ZINC001263764506 859206718 /nfs/dbraw/zinc/20/67/18/859206718.db2.gz LFVNSJYQBUFIGB-GJZGRUSLSA-N 2 2 357.568 0.747 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)COCC23C[NH+](CC2CCC2)C3)CC1 ZINC001275149346 860958367 /nfs/dbraw/zinc/95/83/67/860958367.db2.gz XKQVVFCHYYLYCR-UHFFFAOYSA-N 2 2 350.507 0.337 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001279914057 863131757 /nfs/dbraw/zinc/13/17/57/863131757.db2.gz MIINKSCKDXAXQK-AWEZNQCLSA-N 2 2 354.520 0.093 20 0 FCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001280053040 863221319 /nfs/dbraw/zinc/22/13/19/863221319.db2.gz LJDQHNGGINLOMU-HNNXBMFYSA-N 2 2 355.479 0.441 20 0 FCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001280053040 863221335 /nfs/dbraw/zinc/22/13/35/863221335.db2.gz LJDQHNGGINLOMU-HNNXBMFYSA-N 2 2 355.479 0.441 20 0 FCADLP CN1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073602 863245969 /nfs/dbraw/zinc/24/59/69/863245969.db2.gz FLYHGGVRCTZSPG-LJQANCHMSA-N 2 2 351.539 0.110 20 0 FCADLP CN1CCN(C(=O)C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)CC1 ZINC001280073602 863245983 /nfs/dbraw/zinc/24/59/83/863245983.db2.gz FLYHGGVRCTZSPG-LJQANCHMSA-N 2 2 351.539 0.110 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280188351 863316295 /nfs/dbraw/zinc/31/62/95/863316295.db2.gz FRRANWZEZACVHF-ZACQAIPSSA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280188351 863316301 /nfs/dbraw/zinc/31/63/01/863316301.db2.gz FRRANWZEZACVHF-ZACQAIPSSA-N 2 2 351.491 0.401 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C[NH+](C[C@H]4CCCCO4)C3)O2)CC1 ZINC001280206376 863336638 /nfs/dbraw/zinc/33/66/38/863336638.db2.gz YHOJKDDDUBPWCW-SJORKVTESA-N 2 2 351.491 0.999 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1 ZINC001280217787 863342374 /nfs/dbraw/zinc/34/23/74/863342374.db2.gz CGVZAEZKEZPDOZ-KRWDZBQOSA-N 2 2 350.467 0.074 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC001280217787 863342390 /nfs/dbraw/zinc/34/23/90/863342390.db2.gz CGVZAEZKEZPDOZ-KRWDZBQOSA-N 2 2 350.467 0.074 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001280303610 863396820 /nfs/dbraw/zinc/39/68/20/863396820.db2.gz ZIMKVYYAFDMESB-SFHVURJKSA-N 2 2 351.495 0.230 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001280303610 863396837 /nfs/dbraw/zinc/39/68/37/863396837.db2.gz ZIMKVYYAFDMESB-SFHVURJKSA-N 2 2 351.495 0.230 20 0 FCADLP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001292959439 865764599 /nfs/dbraw/zinc/76/45/99/865764599.db2.gz WZLUXLMWCCKAQT-KSZLIROESA-N 2 2 354.539 0.876 20 0 FCADLP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001292959439 865764603 /nfs/dbraw/zinc/76/46/03/865764603.db2.gz WZLUXLMWCCKAQT-KSZLIROESA-N 2 2 354.539 0.876 20 0 FCADLP CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H](C)[NH+](C)C ZINC001297078923 866005223 /nfs/dbraw/zinc/00/52/23/866005223.db2.gz HINVNPXJOJEISY-OAHLLOKOSA-N 2 2 354.499 0.533 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001349264321 866282385 /nfs/dbraw/zinc/28/23/85/866282385.db2.gz HELRXIBKYIUXPU-VQHPVUNQSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001349264321 866282400 /nfs/dbraw/zinc/28/24/00/866282400.db2.gz HELRXIBKYIUXPU-VQHPVUNQSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349264321 866282414 /nfs/dbraw/zinc/28/24/14/866282414.db2.gz HELRXIBKYIUXPU-VQHPVUNQSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001349264321 866282431 /nfs/dbraw/zinc/28/24/31/866282431.db2.gz HELRXIBKYIUXPU-VQHPVUNQSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001349878176 866470369 /nfs/dbraw/zinc/47/03/69/866470369.db2.gz AFXUVRHRANKQTB-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)CS(C)(=O)=O ZINC001316617517 867366348 /nfs/dbraw/zinc/36/63/48/867366348.db2.gz JOJRKGDGGJFESX-VQJWOFKYSA-N 2 2 368.503 0.678 20 0 FCADLP C[C@@H](C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)CS(C)(=O)=O ZINC001316617517 867366362 /nfs/dbraw/zinc/36/63/62/867366362.db2.gz JOJRKGDGGJFESX-VQJWOFKYSA-N 2 2 368.503 0.678 20 0 FCADLP C[NH+](C)CCN(C(=S)NC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001317976085 867589808 /nfs/dbraw/zinc/58/98/08/867589808.db2.gz RYAFYIKGVPPPLF-CQSZACIVSA-N 2 2 362.565 0.006 20 0 FCADLP OCC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC001321161602 868385716 /nfs/dbraw/zinc/38/57/16/868385716.db2.gz BDJHKGRXZNUCDP-IBGZPJMESA-N 2 2 355.523 0.550 20 0 FCADLP OCC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCOCC1 ZINC001321161602 868385732 /nfs/dbraw/zinc/38/57/32/868385732.db2.gz BDJHKGRXZNUCDP-IBGZPJMESA-N 2 2 355.523 0.550 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC2(CC2)C1 ZINC001324871894 869699446 /nfs/dbraw/zinc/69/94/46/869699446.db2.gz VUNKEMMGZNPXDH-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC2(CC2)C1 ZINC001324871894 869699451 /nfs/dbraw/zinc/69/94/51/869699451.db2.gz VUNKEMMGZNPXDH-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C1CC1 ZINC001324891358 869707190 /nfs/dbraw/zinc/70/71/90/869707190.db2.gz YPVFEBLVMTUPCP-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C1CC1 ZINC001324891358 869707199 /nfs/dbraw/zinc/70/71/99/869707199.db2.gz YPVFEBLVMTUPCP-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3nccs3)CC2)CC1 ZINC001325738091 870011483 /nfs/dbraw/zinc/01/14/83/870011483.db2.gz QOSBKHZTTFWFEE-UHFFFAOYSA-N 2 2 365.503 0.434 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001326094651 870165541 /nfs/dbraw/zinc/16/55/41/870165541.db2.gz MBIYAKHFWWLLGN-ZJIFWQFVSA-N 2 2 373.519 0.041 20 0 FCADLP CCCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@H+](C)C1 ZINC001326284607 870242138 /nfs/dbraw/zinc/24/21/38/870242138.db2.gz WIIUMANCQHSQTC-INIZCTEOSA-N 2 2 374.551 0.621 20 0 FCADLP CCCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CC[N@@H+](C)C1 ZINC001326284607 870242155 /nfs/dbraw/zinc/24/21/55/870242155.db2.gz WIIUMANCQHSQTC-INIZCTEOSA-N 2 2 374.551 0.621 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326880753 870549153 /nfs/dbraw/zinc/54/91/53/870549153.db2.gz BCBXYAVVEPJWKK-GZBFAFLISA-N 2 2 354.520 0.281 20 0 FCADLP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326880753 870549158 /nfs/dbraw/zinc/54/91/58/870549158.db2.gz BCBXYAVVEPJWKK-GZBFAFLISA-N 2 2 354.520 0.281 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[nH]n1 ZINC001346045012 871618438 /nfs/dbraw/zinc/61/84/38/871618438.db2.gz RALSWGOXSXYXPQ-OAHLLOKOSA-N 2 2 351.451 0.619 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[nH]n1 ZINC001346045012 871618441 /nfs/dbraw/zinc/61/84/41/871618441.db2.gz RALSWGOXSXYXPQ-OAHLLOKOSA-N 2 2 351.451 0.619 20 0 FCADLP CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346308049 871765992 /nfs/dbraw/zinc/76/59/92/871765992.db2.gz SWBMQTLCWUQRKJ-HLLBOEOZSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346308049 871765996 /nfs/dbraw/zinc/76/59/96/871765996.db2.gz SWBMQTLCWUQRKJ-HLLBOEOZSA-N 2 2 350.507 0.918 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOC(F)(F)F ZINC001346390190 871813992 /nfs/dbraw/zinc/81/39/92/871813992.db2.gz FSRPRSQCOHEAOD-UHFFFAOYSA-N 2 2 368.400 0.123 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOC(F)(F)F ZINC001346390190 871814008 /nfs/dbraw/zinc/81/40/08/871814008.db2.gz FSRPRSQCOHEAOD-UHFFFAOYSA-N 2 2 368.400 0.123 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC001346570171 871912030 /nfs/dbraw/zinc/91/20/30/871912030.db2.gz PMVMTCWQLWGKOX-IAGOWNOFSA-N 3 2 353.511 0.337 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1SCCS1 ZINC001330346222 872586845 /nfs/dbraw/zinc/58/68/45/872586845.db2.gz FZDMUPAYPSEGHQ-UHFFFAOYSA-N 2 2 374.576 0.393 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1SCCS1 ZINC001330346222 872586850 /nfs/dbraw/zinc/58/68/50/872586850.db2.gz FZDMUPAYPSEGHQ-UHFFFAOYSA-N 2 2 374.576 0.393 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC2(CCC2)C1 ZINC001332841817 873683512 /nfs/dbraw/zinc/68/35/12/873683512.db2.gz HWDNAMPSKSOZMB-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC2(CCC2)C1 ZINC001332841817 873683516 /nfs/dbraw/zinc/68/35/16/873683516.db2.gz HWDNAMPSKSOZMB-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cc[nH+]c1 ZINC000821586405 945727227 /nfs/dbraw/zinc/72/72/27/945727227.db2.gz WQQDSMQWPLKAEO-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547396 946788014 /nfs/dbraw/zinc/78/80/14/946788014.db2.gz NWIVFZFKPVTWCP-QAPCUYQASA-N 2 2 371.489 0.924 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000826183271 947563614 /nfs/dbraw/zinc/56/36/14/947563614.db2.gz JXTNVOLRFSOBOS-UHFFFAOYSA-N 2 2 354.418 0.931 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574944406 949392835 /nfs/dbraw/zinc/39/28/35/949392835.db2.gz CVTRYQSLUVRYFO-SNVBAGLBSA-N 2 2 358.381 0.566 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574949415 949495609 /nfs/dbraw/zinc/49/56/09/949495609.db2.gz VYPMZCDGDLLEDP-NSHDSACASA-N 2 2 358.381 0.497 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574949471 949499518 /nfs/dbraw/zinc/49/95/18/949499518.db2.gz XIWZXPQBYHRVOK-GFCCVEGCSA-N 2 2 369.433 0.620 20 0 FCADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575881832 949736943 /nfs/dbraw/zinc/73/69/43/949736943.db2.gz BTLQBFCITMZCMZ-GXTWGEPZSA-N 2 2 367.417 0.632 20 0 FCADLP CC(C)(C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001573819251 949751412 /nfs/dbraw/zinc/75/14/12/949751412.db2.gz RORAYIJFAKARDC-HNNXBMFYSA-N 2 2 372.477 0.722 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570956870 949867273 /nfs/dbraw/zinc/86/72/73/949867273.db2.gz BHUQBWGDOXRPNU-AWEZNQCLSA-N 2 2 352.402 0.523 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574728537 949988874 /nfs/dbraw/zinc/98/88/74/949988874.db2.gz CGUJAHGDFVLUHU-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574729513 950021662 /nfs/dbraw/zinc/02/16/62/950021662.db2.gz OBXQJNHPGWGABO-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574730352 950032056 /nfs/dbraw/zinc/03/20/56/950032056.db2.gz RKIJBUHYEPKMEP-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574733294 950104734 /nfs/dbraw/zinc/10/47/34/950104734.db2.gz XUUOPMGFWYKLJA-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574733295 950107045 /nfs/dbraw/zinc/10/70/45/950107045.db2.gz XUUOPMGFWYKLJA-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574159631 950312962 /nfs/dbraw/zinc/31/29/62/950312962.db2.gz XAABNASNKIVZLE-ZDUSSCGKSA-N 2 2 369.433 0.523 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575910396 950418567 /nfs/dbraw/zinc/41/85/67/950418567.db2.gz KTDYULSXBLGSQV-BBRMVZONSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205203 950500591 /nfs/dbraw/zinc/50/05/91/950500591.db2.gz HCNLZXHSPPAQOK-KBPBESRZSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205203 950500611 /nfs/dbraw/zinc/50/06/11/950500611.db2.gz HCNLZXHSPPAQOK-KBPBESRZSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576205608 950529615 /nfs/dbraw/zinc/52/96/15/950529615.db2.gz KUDPXPLMUCYXMI-ZDUSSCGKSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205993 950552083 /nfs/dbraw/zinc/55/20/83/950552083.db2.gz SLLYBJXYWHTQKR-WMLDXEAASA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205993 950552094 /nfs/dbraw/zinc/55/20/94/950552094.db2.gz SLLYBJXYWHTQKR-WMLDXEAASA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205993 950552102 /nfs/dbraw/zinc/55/21/02/950552102.db2.gz SLLYBJXYWHTQKR-WMLDXEAASA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205993 950552115 /nfs/dbraw/zinc/55/21/15/950552115.db2.gz SLLYBJXYWHTQKR-WMLDXEAASA-N 2 2 369.473 0.899 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571026197 951471426 /nfs/dbraw/zinc/47/14/26/951471426.db2.gz VIRIAWJDBVZFRQ-HNNXBMFYSA-N 2 2 366.429 0.533 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103048 951874566 /nfs/dbraw/zinc/87/45/66/951874566.db2.gz RLUCKGSCLGWNAK-LLVKDONJSA-N 2 2 372.408 0.814 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113996 951950780 /nfs/dbraw/zinc/95/07/80/951950780.db2.gz JZNSVSDMGCLXRC-LBPRGKRZSA-N 2 2 354.418 0.674 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571071332 952055880 /nfs/dbraw/zinc/05/58/80/952055880.db2.gz VWVSPBZILUFOJM-HAQNSBGRSA-N 2 2 370.392 0.708 20 0 FCADLP CN(C(=O)C[NH+]1CCCC1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571076000 952101847 /nfs/dbraw/zinc/10/18/47/952101847.db2.gz IROCWTBFBKGBEC-UHFFFAOYSA-N 2 2 370.461 0.785 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078855 952134356 /nfs/dbraw/zinc/13/43/56/952134356.db2.gz VGDGPBYKKWZJKF-INIZCTEOSA-N 2 2 370.461 0.785 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078855 952134362 /nfs/dbraw/zinc/13/43/62/952134362.db2.gz VGDGPBYKKWZJKF-INIZCTEOSA-N 2 2 370.461 0.785 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001575145429 952184254 /nfs/dbraw/zinc/18/42/54/952184254.db2.gz XPXVCKPKGQFEIM-SWLSCSKDSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575145429 952184259 /nfs/dbraw/zinc/18/42/59/952184259.db2.gz XPXVCKPKGQFEIM-SWLSCSKDSA-N 2 2 358.450 0.427 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)Nc2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)C1 ZINC000292533569 214106791 /nfs/dbraw/zinc/10/67/91/214106791.db2.gz PGUDUAJHMGWDPP-HZPDHXFCSA-N 2 2 362.430 0.225 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)Nc2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)C1 ZINC000292533569 214106795 /nfs/dbraw/zinc/10/67/95/214106795.db2.gz PGUDUAJHMGWDPP-HZPDHXFCSA-N 2 2 362.430 0.225 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C[NH+](C)C ZINC000293048564 214141470 /nfs/dbraw/zinc/14/14/70/214141470.db2.gz AAUQCEFFGBWQGU-HNNXBMFYSA-N 2 2 362.474 0.771 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000293115607 214146384 /nfs/dbraw/zinc/14/63/84/214146384.db2.gz VBEYBVPJXQZWRX-WMZOPIPTSA-N 2 2 362.474 0.806 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293283975 214161645 /nfs/dbraw/zinc/16/16/45/214161645.db2.gz FPQWUXZMRAFIPL-ZDUSSCGKSA-N 2 2 359.430 0.666 20 0 FCADLP CCOC(=O)[C@@H](F)C1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000293991554 214215954 /nfs/dbraw/zinc/21/59/54/214215954.db2.gz SDSJZZYQDXDVMO-HNNXBMFYSA-N 2 2 351.426 0.561 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000294124864 214224463 /nfs/dbraw/zinc/22/44/63/214224463.db2.gz KYIVEQSYSBVDPN-AWEZNQCLSA-N 2 2 359.430 0.760 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000294243692 214233344 /nfs/dbraw/zinc/23/33/44/214233344.db2.gz YKMYEVLVYGIQQK-CQSZACIVSA-N 2 2 358.446 0.333 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)Cn1cc[nH+]c1C)C(=O)NCC[NH+]1CCOCC1 ZINC000297392972 214395606 /nfs/dbraw/zinc/39/56/06/214395606.db2.gz KNCSQVGUODDKOG-RHSMWYFYSA-N 2 2 365.478 0.171 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000410923548 529695990 /nfs/dbraw/zinc/69/59/90/529695990.db2.gz WOZGENIVHXEOLT-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000410923548 529695991 /nfs/dbraw/zinc/69/59/91/529695991.db2.gz WOZGENIVHXEOLT-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCOCC1 ZINC000265713640 210205085 /nfs/dbraw/zinc/20/50/85/210205085.db2.gz OPDRNLYHQRRSTM-CQSZACIVSA-N 2 2 372.429 0.290 20 0 FCADLP COC(=O)[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1(C)C ZINC000359864520 210190759 /nfs/dbraw/zinc/19/07/59/210190759.db2.gz BRRQYJDGJXYQJT-CQSZACIVSA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1(C)C ZINC000359864520 210190764 /nfs/dbraw/zinc/19/07/64/210190764.db2.gz BRRQYJDGJXYQJT-CQSZACIVSA-N 2 2 355.479 0.344 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000410609714 529886409 /nfs/dbraw/zinc/88/64/09/529886409.db2.gz SQOKFRABZSIIHA-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000410476870 529928920 /nfs/dbraw/zinc/92/89/20/529928920.db2.gz MQWCWSOEKWNMHT-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000410476870 529928922 /nfs/dbraw/zinc/92/89/22/529928922.db2.gz MQWCWSOEKWNMHT-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265484268 210145996 /nfs/dbraw/zinc/14/59/96/210145996.db2.gz LQWGGNZEHLVDFE-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265484268 210145999 /nfs/dbraw/zinc/14/59/99/210145999.db2.gz LQWGGNZEHLVDFE-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265484268 210146001 /nfs/dbraw/zinc/14/60/01/210146001.db2.gz LQWGGNZEHLVDFE-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265484268 210146004 /nfs/dbraw/zinc/14/60/04/210146004.db2.gz LQWGGNZEHLVDFE-IAGOWNOFSA-N 2 2 360.506 0.787 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000265439385 210135492 /nfs/dbraw/zinc/13/54/92/210135492.db2.gz HVUHOZRRYZHNSU-MSOLQXFVSA-N 2 2 374.533 0.344 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1[nH+]ccn1C ZINC000265418019 210131415 /nfs/dbraw/zinc/13/14/15/210131415.db2.gz VJQDBCLEKXQBSB-OAHLLOKOSA-N 2 2 357.462 0.825 20 0 FCADLP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000331529126 215010435 /nfs/dbraw/zinc/01/04/35/215010435.db2.gz GSCAIPOHADRUTI-QAETUUGQSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000331529126 215010438 /nfs/dbraw/zinc/01/04/38/215010438.db2.gz GSCAIPOHADRUTI-QAETUUGQSA-N 2 2 366.506 0.297 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331635773 215026343 /nfs/dbraw/zinc/02/63/43/215026343.db2.gz OZTXLPRAPPENQL-AWEZNQCLSA-N 2 2 361.446 0.981 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331635773 215026344 /nfs/dbraw/zinc/02/63/44/215026344.db2.gz OZTXLPRAPPENQL-AWEZNQCLSA-N 2 2 361.446 0.981 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000331636359 215026859 /nfs/dbraw/zinc/02/68/59/215026859.db2.gz SERSTAXNKNFMSS-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000331636359 215026862 /nfs/dbraw/zinc/02/68/62/215026862.db2.gz SERSTAXNKNFMSS-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000331636359 215026865 /nfs/dbraw/zinc/02/68/65/215026865.db2.gz SERSTAXNKNFMSS-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000331636359 215026868 /nfs/dbraw/zinc/02/68/68/215026868.db2.gz SERSTAXNKNFMSS-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000331733782 215040785 /nfs/dbraw/zinc/04/07/85/215040785.db2.gz SXYXISIUHVTKNK-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000331733782 215040789 /nfs/dbraw/zinc/04/07/89/215040789.db2.gz SXYXISIUHVTKNK-IXDOHACOSA-N 2 2 366.506 0.107 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834316 215054680 /nfs/dbraw/zinc/05/46/80/215054680.db2.gz BTJIDRPIFDHEBZ-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CCO1 ZINC000331834316 215054681 /nfs/dbraw/zinc/05/46/81/215054681.db2.gz BTJIDRPIFDHEBZ-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCO1 ZINC000331834316 215054683 /nfs/dbraw/zinc/05/46/83/215054683.db2.gz BTJIDRPIFDHEBZ-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCO1 ZINC000331834316 215054685 /nfs/dbraw/zinc/05/46/85/215054685.db2.gz BTJIDRPIFDHEBZ-CVEARBPZSA-N 2 2 368.478 0.324 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)CO1 ZINC000332097408 215092601 /nfs/dbraw/zinc/09/26/01/215092601.db2.gz XPLMUSCZZGNRCT-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332386700 215142777 /nfs/dbraw/zinc/14/27/77/215142777.db2.gz YGBBRKDSZQZOKO-QBPKDAKJSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332386700 215142780 /nfs/dbraw/zinc/14/27/80/215142780.db2.gz YGBBRKDSZQZOKO-QBPKDAKJSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@@H]1C ZINC000332519460 215166789 /nfs/dbraw/zinc/16/67/89/215166789.db2.gz BMUGVGHAMCBFKT-LSDHHAIUSA-N 2 2 374.489 0.375 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@@H]1C ZINC000332519460 215166793 /nfs/dbraw/zinc/16/67/93/215166793.db2.gz BMUGVGHAMCBFKT-LSDHHAIUSA-N 2 2 374.489 0.375 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@@H]1C ZINC000332524854 215167328 /nfs/dbraw/zinc/16/73/28/215167328.db2.gz DSYIYXZQOPAWPE-DLBZAZTESA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@@H]1C ZINC000332524854 215167330 /nfs/dbraw/zinc/16/73/30/215167330.db2.gz DSYIYXZQOPAWPE-DLBZAZTESA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000332522516 215167623 /nfs/dbraw/zinc/16/76/23/215167623.db2.gz CTAMNKUIQKYLKU-SFHVURJKSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000332522516 215167626 /nfs/dbraw/zinc/16/76/26/215167626.db2.gz CTAMNKUIQKYLKU-SFHVURJKSA-N 2 2 373.501 0.837 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000332526217 215168837 /nfs/dbraw/zinc/16/88/37/215168837.db2.gz COTPJZAOXAHEPM-BZUAXINKSA-N 2 2 359.474 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[C@@H]1[NH3+] ZINC000332551153 215177593 /nfs/dbraw/zinc/17/75/93/215177593.db2.gz PRUGNTQWDLRLLW-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[C@@H]1[NH3+] ZINC000332551153 215177598 /nfs/dbraw/zinc/17/75/98/215177598.db2.gz PRUGNTQWDLRLLW-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000332661682 215200793 /nfs/dbraw/zinc/20/07/93/215200793.db2.gz ODAZVMFDXUBIOK-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068137 215231597 /nfs/dbraw/zinc/23/15/97/215231597.db2.gz JMMKWRHBLDRPDD-RDJZCZTQSA-N 2 2 357.520 0.440 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068137 215231602 /nfs/dbraw/zinc/23/16/02/215231602.db2.gz JMMKWRHBLDRPDD-RDJZCZTQSA-N 2 2 357.520 0.440 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3([S@@](C)=O)CC3)CC2)CC1 ZINC000333137515 215241325 /nfs/dbraw/zinc/24/13/25/215241325.db2.gz YBOQRHOBPOBURU-XMMPIXPASA-N 2 2 356.536 0.755 20 0 FCADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000333189259 215247919 /nfs/dbraw/zinc/24/79/19/215247919.db2.gz VEXWFRPAQSSVRH-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000333189259 215247922 /nfs/dbraw/zinc/24/79/22/215247922.db2.gz VEXWFRPAQSSVRH-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCN1C ZINC000333204012 215248935 /nfs/dbraw/zinc/24/89/35/215248935.db2.gz BKVMIIYMEBZZAO-DLBZAZTESA-N 2 2 361.490 0.879 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333439052 215280381 /nfs/dbraw/zinc/28/03/81/215280381.db2.gz VTQQZHGBJZEEOD-HZPDHXFCSA-N 2 2 372.473 0.266 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000333524378 215293505 /nfs/dbraw/zinc/29/35/05/215293505.db2.gz WXYYGTJZNRBNHB-QZTJIDSGSA-N 2 2 353.507 0.935 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000333524378 215293510 /nfs/dbraw/zinc/29/35/10/215293510.db2.gz WXYYGTJZNRBNHB-QZTJIDSGSA-N 2 2 353.507 0.935 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)([NH+]2CCOCC2)C1 ZINC000333503537 215289433 /nfs/dbraw/zinc/28/94/33/215289433.db2.gz DOSHQWSGTGDVQN-LCMLCXGQSA-N 2 2 354.495 0.648 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333590775 215299752 /nfs/dbraw/zinc/29/97/52/215299752.db2.gz VDGFHPQVBRMKDN-YESZJQIVSA-N 2 2 365.522 0.570 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333728963 215313600 /nfs/dbraw/zinc/31/36/00/215313600.db2.gz VUBSVSAKJSEAQV-AOCRQIFASA-N 2 2 367.538 0.565 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333728963 215313603 /nfs/dbraw/zinc/31/36/03/215313603.db2.gz VUBSVSAKJSEAQV-AOCRQIFASA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000333869268 215326470 /nfs/dbraw/zinc/32/64/70/215326470.db2.gz BKUJXGXXTXIQFO-HNNXBMFYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333874053 215327927 /nfs/dbraw/zinc/32/79/27/215327927.db2.gz VBFUTILUEOMBNO-TZMCWYRMSA-N 2 2 358.450 0.193 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000334091187 215342528 /nfs/dbraw/zinc/34/25/28/215342528.db2.gz OBBZKCAHKMQFMP-KRWDZBQOSA-N 2 2 354.495 0.605 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000334091187 215342529 /nfs/dbraw/zinc/34/25/29/215342529.db2.gz OBBZKCAHKMQFMP-KRWDZBQOSA-N 2 2 354.495 0.605 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000285731872 213384999 /nfs/dbraw/zinc/38/49/99/213384999.db2.gz BTAUSDYGWUCIPM-LSDHHAIUSA-N 2 2 363.462 0.200 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135039 215347023 /nfs/dbraw/zinc/34/70/23/215347023.db2.gz XQJJJKFRQADUJR-HZPDHXFCSA-N 2 2 351.495 0.419 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135039 215347026 /nfs/dbraw/zinc/34/70/26/215347026.db2.gz XQJJJKFRQADUJR-HZPDHXFCSA-N 2 2 351.495 0.419 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000285617875 213367088 /nfs/dbraw/zinc/36/70/88/213367088.db2.gz MPUNNRLPJCBROT-IAGOWNOFSA-N 2 2 371.485 0.851 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000285617875 213367091 /nfs/dbraw/zinc/36/70/91/213367091.db2.gz MPUNNRLPJCBROT-IAGOWNOFSA-N 2 2 371.485 0.851 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285610334 213366575 /nfs/dbraw/zinc/36/65/75/213366575.db2.gz MGVWSLHUROAOOZ-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285610334 213366580 /nfs/dbraw/zinc/36/65/80/213366580.db2.gz MGVWSLHUROAOOZ-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285545933 213356539 /nfs/dbraw/zinc/35/65/39/213356539.db2.gz IFEONXSMHZRTJB-YOEHRIQHSA-N 2 2 371.485 0.897 20 0 FCADLP CN(C)S(=O)(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285439027 213342600 /nfs/dbraw/zinc/34/26/00/213342600.db2.gz LFGYPRVQXGABJY-UHFFFAOYSA-N 2 2 368.547 0.627 20 0 FCADLP CN(C)S(=O)(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285439027 213342603 /nfs/dbraw/zinc/34/26/03/213342603.db2.gz LFGYPRVQXGABJY-UHFFFAOYSA-N 2 2 368.547 0.627 20 0 FCADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CCOCC1 ZINC000285414739 213338564 /nfs/dbraw/zinc/33/85/64/213338564.db2.gz JHCSQHOJPPAELZ-UHFFFAOYSA-N 2 2 360.502 0.595 20 0 FCADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CCOCC1 ZINC000285414739 213338566 /nfs/dbraw/zinc/33/85/66/213338566.db2.gz JHCSQHOJPPAELZ-UHFFFAOYSA-N 2 2 360.502 0.595 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137452 213290631 /nfs/dbraw/zinc/29/06/31/213290631.db2.gz SAUKRKQSVUIHAA-DLBZAZTESA-N 2 2 373.501 0.967 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000285137452 213290635 /nfs/dbraw/zinc/29/06/35/213290635.db2.gz SAUKRKQSVUIHAA-DLBZAZTESA-N 2 2 373.501 0.967 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000284892778 213242956 /nfs/dbraw/zinc/24/29/56/213242956.db2.gz DAYXSGCXIANTCA-UHFFFAOYSA-N 2 2 373.457 0.486 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000284852055 213234776 /nfs/dbraw/zinc/23/47/76/213234776.db2.gz FAWPMJBYCAFCQH-OAHLLOKOSA-N 2 2 364.515 0.775 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000284852055 213234779 /nfs/dbraw/zinc/23/47/79/213234779.db2.gz FAWPMJBYCAFCQH-OAHLLOKOSA-N 2 2 364.515 0.775 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284624013 213182733 /nfs/dbraw/zinc/18/27/33/213182733.db2.gz YPTMPARRIDHIDV-MRXNPFEDSA-N 2 2 371.441 0.054 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284624013 213182734 /nfs/dbraw/zinc/18/27/34/213182734.db2.gz YPTMPARRIDHIDV-MRXNPFEDSA-N 2 2 371.441 0.054 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c[nH+]1 ZINC000284536718 213163621 /nfs/dbraw/zinc/16/36/21/213163621.db2.gz LCWIZTRHPZCCCG-INIZCTEOSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c[nH+]1 ZINC000284536718 213163623 /nfs/dbraw/zinc/16/36/23/213163623.db2.gz LCWIZTRHPZCCCG-INIZCTEOSA-N 2 2 359.474 0.897 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000284489406 213151365 /nfs/dbraw/zinc/15/13/65/213151365.db2.gz RSLXPTAPPUTFFJ-CABCVRRESA-N 2 2 371.441 0.789 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353626 213117537 /nfs/dbraw/zinc/11/75/37/213117537.db2.gz SGCFKWLPPOLBHT-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353626 213117540 /nfs/dbraw/zinc/11/75/40/213117540.db2.gz SGCFKWLPPOLBHT-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000284292314 213105229 /nfs/dbraw/zinc/10/52/29/213105229.db2.gz KJWLVTDDNTWWSH-HNNXBMFYSA-N 2 2 361.421 0.785 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262537052 209606723 /nfs/dbraw/zinc/60/67/23/209606723.db2.gz MRRJZQUNQNZPNH-ITMUERHQSA-N 2 2 362.518 0.951 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000284186213 213092966 /nfs/dbraw/zinc/09/29/66/213092966.db2.gz ZYFUFUFKPHGOIV-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000283944305 213040605 /nfs/dbraw/zinc/04/06/05/213040605.db2.gz GDVPLMBVQTWDBK-UHFFFAOYSA-N 2 2 359.430 0.293 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283924576 213036349 /nfs/dbraw/zinc/03/63/49/213036349.db2.gz FFGKBGCKIWIPMW-MRXNPFEDSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000283924576 213036352 /nfs/dbraw/zinc/03/63/52/213036352.db2.gz FFGKBGCKIWIPMW-MRXNPFEDSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000283895705 213029209 /nfs/dbraw/zinc/02/92/09/213029209.db2.gz KPINAKSYPPFYFG-UHFFFAOYSA-N 2 2 361.471 0.448 20 0 FCADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283841695 213015941 /nfs/dbraw/zinc/01/59/41/213015941.db2.gz ITXAFEMXMOJGHN-UHFFFAOYSA-N 2 2 361.421 0.729 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@H](CO)C3)CC2)c1 ZINC000412056894 237156680 /nfs/dbraw/zinc/15/66/80/237156680.db2.gz VKLYLEXVOYYDPD-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@H](CO)C3)CC2)c1 ZINC000412056894 237156688 /nfs/dbraw/zinc/15/66/88/237156688.db2.gz VKLYLEXVOYYDPD-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791777 216032522 /nfs/dbraw/zinc/03/25/22/216032522.db2.gz DAGNRBXKCLVTEF-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791777 216032524 /nfs/dbraw/zinc/03/25/24/216032524.db2.gz DAGNRBXKCLVTEF-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000413036829 237264054 /nfs/dbraw/zinc/26/40/54/237264054.db2.gz BUTOLOVNOSTRCA-INIZCTEOSA-N 2 2 368.478 0.871 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000413365319 237321292 /nfs/dbraw/zinc/32/12/92/237321292.db2.gz CHLSOJKJAJIDFA-LSDHHAIUSA-N 2 2 354.495 0.600 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000413365319 237321298 /nfs/dbraw/zinc/32/12/98/237321298.db2.gz CHLSOJKJAJIDFA-LSDHHAIUSA-N 2 2 354.495 0.600 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000413567169 237358941 /nfs/dbraw/zinc/35/89/41/237358941.db2.gz BMKDZFWNKODYIQ-UHFFFAOYSA-N 2 2 352.435 0.579 20 0 FCADLP CN1CC[NH+](CC2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000366968194 216056781 /nfs/dbraw/zinc/05/67/81/216056781.db2.gz CKDDHAZROWBDMR-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032316 216066305 /nfs/dbraw/zinc/06/63/05/216066305.db2.gz YWLWHGVUXMCORP-DOTOQJQBSA-N 2 2 359.474 0.313 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032316 216066310 /nfs/dbraw/zinc/06/63/10/216066310.db2.gz YWLWHGVUXMCORP-DOTOQJQBSA-N 2 2 359.474 0.313 20 0 FCADLP COc1c[nH+]c(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000367458012 216126285 /nfs/dbraw/zinc/12/62/85/216126285.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 3 2 358.490 0.481 20 0 FCADLP COc1c[nH+]c(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000367458012 216126289 /nfs/dbraw/zinc/12/62/89/216126289.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 3 2 358.490 0.481 20 0 FCADLP COc1c[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000367458012 216126292 /nfs/dbraw/zinc/12/62/92/216126292.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 3 2 358.490 0.481 20 0 FCADLP COc1c[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000367458012 216126296 /nfs/dbraw/zinc/12/62/96/216126296.db2.gz YIMAABGJHUJFJX-GEEKYZPCSA-N 3 2 358.490 0.481 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367806827 216164304 /nfs/dbraw/zinc/16/43/04/216164304.db2.gz QYJPZKOEZPZLBT-QZWWFDLISA-N 2 2 352.479 0.354 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367806827 216164307 /nfs/dbraw/zinc/16/43/07/216164307.db2.gz QYJPZKOEZPZLBT-QZWWFDLISA-N 2 2 352.479 0.354 20 0 FCADLP NC(=O)C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000367989553 216189190 /nfs/dbraw/zinc/18/91/90/216189190.db2.gz QVSMRZCJBOVRSZ-MRXNPFEDSA-N 2 2 360.458 0.655 20 0 FCADLP NC(=O)C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000367989553 216189193 /nfs/dbraw/zinc/18/91/93/216189193.db2.gz QVSMRZCJBOVRSZ-MRXNPFEDSA-N 2 2 360.458 0.655 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000246537536 209391220 /nfs/dbraw/zinc/39/12/20/209391220.db2.gz XEURHWVUFLHQBQ-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000246537536 209391224 /nfs/dbraw/zinc/39/12/24/209391224.db2.gz XEURHWVUFLHQBQ-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246167323 209381273 /nfs/dbraw/zinc/38/12/73/209381273.db2.gz PFKXLWAMFCOKQU-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246167323 209381275 /nfs/dbraw/zinc/38/12/75/209381275.db2.gz PFKXLWAMFCOKQU-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246167323 209381277 /nfs/dbraw/zinc/38/12/77/209381277.db2.gz PFKXLWAMFCOKQU-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246167323 209381281 /nfs/dbraw/zinc/38/12/81/209381281.db2.gz PFKXLWAMFCOKQU-KGLIPLIRSA-N 2 2 368.503 0.935 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000368244181 216221940 /nfs/dbraw/zinc/22/19/40/216221940.db2.gz MZCRUZSWFSWEHB-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000368244181 216221944 /nfs/dbraw/zinc/22/19/44/216221944.db2.gz MZCRUZSWFSWEHB-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CC12CC[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000238030490 209363206 /nfs/dbraw/zinc/36/32/06/209363206.db2.gz BMWGWYOUXNTINP-INIZCTEOSA-N 2 2 371.485 0.626 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(=O)N1CCCCC1 ZINC000237836549 209359842 /nfs/dbraw/zinc/35/98/42/209359842.db2.gz YJESRBNNKAWLCW-SFHVURJKSA-N 2 2 369.469 0.930 20 0 FCADLP COCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237290081 209349655 /nfs/dbraw/zinc/34/96/55/209349655.db2.gz LZEHPFBJHMYRBD-OAHLLOKOSA-N 2 2 352.454 0.688 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000237227742 209349265 /nfs/dbraw/zinc/34/92/65/209349265.db2.gz STHZZZMKLDFZFJ-HNNXBMFYSA-N 2 2 352.460 0.313 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000237227980 209348971 /nfs/dbraw/zinc/34/89/71/209348971.db2.gz SVVVVQBCODYIAG-KGLIPLIRSA-N 2 2 366.487 0.689 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)C[C@H]2C1 ZINC000194919290 209330147 /nfs/dbraw/zinc/33/01/47/209330147.db2.gz NQMQTIUFGJWECG-CALCHBBNSA-N 2 2 372.469 0.477 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH+]3CCOCC3)C[C@H]2C1 ZINC000194919290 209330150 /nfs/dbraw/zinc/33/01/50/209330150.db2.gz NQMQTIUFGJWECG-CALCHBBNSA-N 2 2 372.469 0.477 20 0 FCADLP CN(C(=O)NCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368360066 216237412 /nfs/dbraw/zinc/23/74/12/216237412.db2.gz GNHYCUPYCQMQCC-SFHVURJKSA-N 3 2 367.538 0.519 20 0 FCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000193608546 209315637 /nfs/dbraw/zinc/31/56/37/209315637.db2.gz VSMHMDFZIIWDGC-RDTXWAMCSA-N 2 2 360.458 0.572 20 0 FCADLP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000193444963 209312680 /nfs/dbraw/zinc/31/26/80/209312680.db2.gz SYBGVTGREJJTNS-AWEZNQCLSA-N 2 2 374.493 0.925 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@]34CCOC4=O)C2)CC1 ZINC000368726979 216288379 /nfs/dbraw/zinc/28/83/79/216288379.db2.gz JBMGTZMBKGGJBZ-KBXCAEBGSA-N 2 2 350.463 0.646 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@]34CCOC4=O)C2)CC1 ZINC000368726979 216288382 /nfs/dbraw/zinc/28/83/82/216288382.db2.gz JBMGTZMBKGGJBZ-KBXCAEBGSA-N 2 2 350.463 0.646 20 0 FCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000192111632 209295577 /nfs/dbraw/zinc/29/55/77/209295577.db2.gz IQXSWGCXWWROHZ-KBPBESRZSA-N 2 2 350.438 0.683 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000368960874 216324879 /nfs/dbraw/zinc/32/48/79/216324879.db2.gz RNOLQICKABPZNQ-INIZCTEOSA-N 2 2 355.442 0.818 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000368960874 216324882 /nfs/dbraw/zinc/32/48/82/216324882.db2.gz RNOLQICKABPZNQ-INIZCTEOSA-N 2 2 355.442 0.818 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000369027168 216334763 /nfs/dbraw/zinc/33/47/63/216334763.db2.gz MMWSMQSVLCARBJ-DLBZAZTESA-N 2 2 360.506 0.627 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)C2=O)n1 ZINC000369027168 216334766 /nfs/dbraw/zinc/33/47/66/216334766.db2.gz MMWSMQSVLCARBJ-DLBZAZTESA-N 2 2 360.506 0.627 20 0 FCADLP CC(C)(C)n1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000191135837 209282182 /nfs/dbraw/zinc/28/21/82/209282182.db2.gz LFVFUJLCNNCEPK-CQSZACIVSA-N 2 2 350.467 0.056 20 0 FCADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369267915 216373699 /nfs/dbraw/zinc/37/36/99/216373699.db2.gz FPAUMEACJLJJRJ-GOSISDBHSA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000190377376 209271118 /nfs/dbraw/zinc/27/11/18/209271118.db2.gz UGLHNBWOOMTPTE-KRWDZBQOSA-N 2 2 374.551 0.037 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372270 216391194 /nfs/dbraw/zinc/39/11/94/216391194.db2.gz HJMVANZAUQDKCY-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372270 216391197 /nfs/dbraw/zinc/39/11/97/216391197.db2.gz HJMVANZAUQDKCY-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP CC(=O)NCC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372687 216391830 /nfs/dbraw/zinc/39/18/30/216391830.db2.gz KYVXGTIRXSOFSA-KRWDZBQOSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)NCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369372687 216391831 /nfs/dbraw/zinc/39/18/31/216391831.db2.gz KYVXGTIRXSOFSA-KRWDZBQOSA-N 2 2 365.522 0.713 20 0 FCADLP CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374325 216392010 /nfs/dbraw/zinc/39/20/10/216392010.db2.gz RLGHYNDQAPEDBT-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374325 216392014 /nfs/dbraw/zinc/39/20/14/216392014.db2.gz RLGHYNDQAPEDBT-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC(=O)N3CCCCC3)C2)CC1 ZINC000369392658 216395231 /nfs/dbraw/zinc/39/52/31/216395231.db2.gz ISMROBJSFVTBCV-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC(=O)N3CCCCC3)C2)CC1 ZINC000369392658 216395234 /nfs/dbraw/zinc/39/52/34/216395234.db2.gz ISMROBJSFVTBCV-MRXNPFEDSA-N 2 2 365.522 0.857 20 0 FCADLP Cc1csc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000188958400 209242842 /nfs/dbraw/zinc/24/28/42/209242842.db2.gz HQUMJXGQCRUBSC-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP Cc1csc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000188958400 209242844 /nfs/dbraw/zinc/24/28/44/209242844.db2.gz HQUMJXGQCRUBSC-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188716373 209236934 /nfs/dbraw/zinc/23/69/34/209236934.db2.gz FEAHWNLIDXOCIA-UHFFFAOYSA-N 2 2 355.442 0.818 20 0 FCADLP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326231 209227255 /nfs/dbraw/zinc/22/72/55/209227255.db2.gz JDEFQMBYEHTFEH-FQEVSTJZSA-N 2 2 374.485 0.886 20 0 FCADLP C[NH+](CCN1C(=O)NC(C)(C)C1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188326231 209227262 /nfs/dbraw/zinc/22/72/62/209227262.db2.gz JDEFQMBYEHTFEH-FQEVSTJZSA-N 2 2 374.485 0.886 20 0 FCADLP C[NH+](CCN1C(=O)NC(C)(C)C1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326231 209227264 /nfs/dbraw/zinc/22/72/64/209227264.db2.gz JDEFQMBYEHTFEH-FQEVSTJZSA-N 2 2 374.485 0.886 20 0 FCADLP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000187262839 209208852 /nfs/dbraw/zinc/20/88/52/209208852.db2.gz POCQVWROXZYQRD-GOSISDBHSA-N 2 2 360.502 0.329 20 0 FCADLP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000187262839 209208856 /nfs/dbraw/zinc/20/88/56/209208856.db2.gz POCQVWROXZYQRD-GOSISDBHSA-N 2 2 360.502 0.329 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@]12CCOC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000186752595 209195939 /nfs/dbraw/zinc/19/59/39/209195939.db2.gz PAVPSFAPISRWPS-IBGZPJMESA-N 2 2 358.442 0.902 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@]12CCOC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000186752595 209195936 /nfs/dbraw/zinc/19/59/36/209195936.db2.gz PAVPSFAPISRWPS-IBGZPJMESA-N 2 2 358.442 0.902 20 0 FCADLP C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672947 209180613 /nfs/dbraw/zinc/18/06/13/209180613.db2.gz RNYBRBQQPFDHPJ-CHWSQXEVSA-N 2 2 374.489 0.703 20 0 FCADLP C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672947 209180616 /nfs/dbraw/zinc/18/06/16/209180616.db2.gz RNYBRBQQPFDHPJ-CHWSQXEVSA-N 2 2 374.489 0.703 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275604580 212059917 /nfs/dbraw/zinc/05/99/17/212059917.db2.gz HMHIRFUXPIZWTJ-KRWDZBQOSA-N 2 2 364.490 0.948 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000275587786 212056242 /nfs/dbraw/zinc/05/62/42/212056242.db2.gz FETXPOAZQXZTNI-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000275587786 212056244 /nfs/dbraw/zinc/05/62/44/212056244.db2.gz FETXPOAZQXZTNI-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP C[C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)N1CC[NH+](C)CC1 ZINC000275574622 212053531 /nfs/dbraw/zinc/05/35/31/212053531.db2.gz JBLVRSQTBSRTRA-HOTGVXAUSA-N 2 2 361.490 0.763 20 0 FCADLP C[C@@H]1C[C@@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]1 ZINC000414742666 245318313 /nfs/dbraw/zinc/31/83/13/245318313.db2.gz NSVXPKYKYNSGKZ-SJORKVTESA-N 3 2 360.506 0.823 20 0 FCADLP COCC[NH2+]CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414868686 245329669 /nfs/dbraw/zinc/32/96/69/245329669.db2.gz DZRJZIFKHUZQCY-UHFFFAOYSA-N 2 2 355.504 0.974 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415022860 245341716 /nfs/dbraw/zinc/34/17/16/245341716.db2.gz LTLBQXMVCZLGFX-ZDUSSCGKSA-N 2 2 369.491 0.339 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415152741 245352064 /nfs/dbraw/zinc/35/20/64/245352064.db2.gz IAFCIDYWNBCJEG-UHFFFAOYSA-N 2 2 358.446 0.989 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442696 217019685 /nfs/dbraw/zinc/01/96/85/217019685.db2.gz VZLWIJIIRXTAKF-IDHHARJASA-N 3 2 352.523 0.804 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442696 217019686 /nfs/dbraw/zinc/01/96/86/217019686.db2.gz VZLWIJIIRXTAKF-IDHHARJASA-N 3 2 352.523 0.804 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000275360648 212013003 /nfs/dbraw/zinc/01/30/03/212013003.db2.gz UEWAMCDFAOIJBX-HNNXBMFYSA-N 2 2 362.474 0.254 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491372 217023613 /nfs/dbraw/zinc/02/36/13/217023613.db2.gz YMKRBNOULBIZGH-QZTJIDSGSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491372 217023614 /nfs/dbraw/zinc/02/36/14/217023614.db2.gz YMKRBNOULBIZGH-QZTJIDSGSA-N 2 2 353.507 0.960 20 0 FCADLP CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076192 217093852 /nfs/dbraw/zinc/09/38/52/217093852.db2.gz ZYURGTPYNSLSOG-VQIMIIECSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@]1(COC)CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000374076192 217093855 /nfs/dbraw/zinc/09/38/55/217093855.db2.gz ZYURGTPYNSLSOG-VQIMIIECSA-N 2 2 369.506 0.831 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000374082447 217094513 /nfs/dbraw/zinc/09/45/13/217094513.db2.gz KHONRFUPXVKIDV-QZTJIDSGSA-N 2 2 372.469 0.668 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000374082447 217094517 /nfs/dbraw/zinc/09/45/17/217094517.db2.gz KHONRFUPXVKIDV-QZTJIDSGSA-N 2 2 372.469 0.668 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323635 217117795 /nfs/dbraw/zinc/11/77/95/217117795.db2.gz IMGJHJQSSJLBHS-SQNIBIBYSA-N 2 2 354.539 0.876 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323635 217117797 /nfs/dbraw/zinc/11/77/97/217117797.db2.gz IMGJHJQSSJLBHS-SQNIBIBYSA-N 2 2 354.539 0.876 20 0 FCADLP COC[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000183441701 209145618 /nfs/dbraw/zinc/14/56/18/209145618.db2.gz JEOKCNALMXDMAQ-OAHLLOKOSA-N 2 2 373.461 0.027 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000182675105 209135618 /nfs/dbraw/zinc/13/56/18/209135618.db2.gz GNUBLHNJDKXZQG-IYBDPMFKSA-N 2 2 371.507 0.245 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000375224861 217235276 /nfs/dbraw/zinc/23/52/76/217235276.db2.gz ZLDUUSIWQYZFMF-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000375224861 217235278 /nfs/dbraw/zinc/23/52/78/217235278.db2.gz ZLDUUSIWQYZFMF-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC[NH2+]CC1 ZINC000182166310 209127819 /nfs/dbraw/zinc/12/78/19/209127819.db2.gz BGHRLBRMTNFEMY-INIZCTEOSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC[NH2+]CC1 ZINC000182166310 209127822 /nfs/dbraw/zinc/12/78/22/209127822.db2.gz BGHRLBRMTNFEMY-INIZCTEOSA-N 2 2 374.489 0.398 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166594 209127839 /nfs/dbraw/zinc/12/78/39/209127839.db2.gz HSFIHSRIVYJZQY-YOEHRIQHSA-N 2 2 362.478 0.382 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166594 209127842 /nfs/dbraw/zinc/12/78/42/209127842.db2.gz HSFIHSRIVYJZQY-YOEHRIQHSA-N 2 2 362.478 0.382 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(COC)no3)CC2)CC1 ZINC000182258742 209129506 /nfs/dbraw/zinc/12/95/06/209129506.db2.gz BDYVNTYMSWUOJS-UHFFFAOYSA-N 2 2 365.478 0.982 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182166411 209128179 /nfs/dbraw/zinc/12/81/79/209128179.db2.gz UBPNCKXELAGCIZ-LSDHHAIUSA-N 2 2 362.478 0.526 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000182166411 209128171 /nfs/dbraw/zinc/12/81/71/209128171.db2.gz UBPNCKXELAGCIZ-LSDHHAIUSA-N 2 2 362.478 0.526 20 0 FCADLP C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749312 217308222 /nfs/dbraw/zinc/30/82/22/217308222.db2.gz DLQZYXUZMZIBTG-SJPCQFCGSA-N 2 2 358.490 0.682 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749312 217308226 /nfs/dbraw/zinc/30/82/26/217308226.db2.gz DLQZYXUZMZIBTG-SJPCQFCGSA-N 2 2 358.490 0.682 20 0 FCADLP C[NH+](CC(=O)N1CCN(c2cnccn2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375749312 217308230 /nfs/dbraw/zinc/30/82/30/217308230.db2.gz DLQZYXUZMZIBTG-SJPCQFCGSA-N 2 2 358.490 0.682 20 0 FCADLP C[NH+](CC(=O)N1CCN(c2cnccn2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375749312 217308232 /nfs/dbraw/zinc/30/82/32/217308232.db2.gz DLQZYXUZMZIBTG-SJPCQFCGSA-N 2 2 358.490 0.682 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000419055455 245961791 /nfs/dbraw/zinc/96/17/91/245961791.db2.gz BCADROCDECNWRO-WWGRRREGSA-N 2 2 373.432 0.974 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1)C1CC1 ZINC000419130409 246004000 /nfs/dbraw/zinc/00/40/00/246004000.db2.gz BEOHEDIOUCXKSB-KRWDZBQOSA-N 2 2 369.469 0.986 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419153870 246020832 /nfs/dbraw/zinc/02/08/32/246020832.db2.gz PGJLGFSAGIFTDI-HNNXBMFYSA-N 2 2 355.442 0.562 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C[C@H]1[NH3+] ZINC000419156694 246022309 /nfs/dbraw/zinc/02/23/09/246022309.db2.gz UAGQVXBTOOFDSV-NVXWUHKLSA-N 2 2 369.469 0.938 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419133316 246009370 /nfs/dbraw/zinc/00/93/70/246009370.db2.gz FQJWNIQCJQXCMW-OAHLLOKOSA-N 2 2 357.458 0.714 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)c[nH+]2)CC1 ZINC000419207945 246055815 /nfs/dbraw/zinc/05/58/15/246055815.db2.gz QKVZXZDBEDFULS-OAHLLOKOSA-N 2 2 359.474 0.741 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000419211990 246056759 /nfs/dbraw/zinc/05/67/59/246056759.db2.gz YVCXTBODUQVORQ-HOTGVXAUSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000419212341 246058067 /nfs/dbraw/zinc/05/80/67/246058067.db2.gz ZSVRPEKLSLGUJL-GOEBONIOSA-N 2 2 359.474 0.741 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228979 246066606 /nfs/dbraw/zinc/06/66/06/246066606.db2.gz HAEPZNLWQKIFLD-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228979 246066610 /nfs/dbraw/zinc/06/66/10/246066610.db2.gz HAEPZNLWQKIFLD-STQMWFEESA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419270784 246083790 /nfs/dbraw/zinc/08/37/90/246083790.db2.gz DMVMRYUQQYMFAZ-LSDHHAIUSA-N 2 2 355.442 0.756 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228978 246069172 /nfs/dbraw/zinc/06/91/72/246069172.db2.gz HAEPZNLWQKIFLD-QWHCGFSZSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228978 246069177 /nfs/dbraw/zinc/06/91/77/246069177.db2.gz HAEPZNLWQKIFLD-QWHCGFSZSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000419266866 246080297 /nfs/dbraw/zinc/08/02/97/246080297.db2.gz ICVYQSHOIJMFGJ-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419309787 246096294 /nfs/dbraw/zinc/09/62/94/246096294.db2.gz QMHVZTYCPVIJDI-SJORKVTESA-N 2 2 371.485 0.899 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419303407 246090876 /nfs/dbraw/zinc/09/08/76/246090876.db2.gz HYKJRLAKFIJFJL-HOCLYGCPSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+]CCNC(=O)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000419355490 246114725 /nfs/dbraw/zinc/11/47/25/246114725.db2.gz NFFSVOJZZSODOZ-ZDUSSCGKSA-N 2 2 356.829 0.807 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419395520 246131827 /nfs/dbraw/zinc/13/18/27/246131827.db2.gz USAQPFCVBBYFSS-DFBGVHRSSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419395520 246131830 /nfs/dbraw/zinc/13/18/30/246131830.db2.gz USAQPFCVBBYFSS-DFBGVHRSSA-N 2 2 368.865 0.291 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000419871461 246339007 /nfs/dbraw/zinc/33/90/07/246339007.db2.gz SZLFLHNEDQOBIS-HNNXBMFYSA-N 2 2 374.489 0.411 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419854583 246324302 /nfs/dbraw/zinc/32/43/02/246324302.db2.gz BTSNGNVTASACEI-GDBMZVCRSA-N 2 2 360.458 0.379 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419863805 246332329 /nfs/dbraw/zinc/33/23/29/246332329.db2.gz AHFBDYMTMBETGD-HYVNUMGLSA-N 2 2 359.474 0.673 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000419865664 246334486 /nfs/dbraw/zinc/33/44/86/246334486.db2.gz ASWRPPMTTDYYOK-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000419865664 246334494 /nfs/dbraw/zinc/33/44/94/246334494.db2.gz ASWRPPMTTDYYOK-DOTOQJQBSA-N 2 2 374.485 0.596 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)[C@H](C)C1 ZINC000419919663 246367300 /nfs/dbraw/zinc/36/73/00/246367300.db2.gz FKGHHBFWCHWWGL-OAHLLOKOSA-N 2 2 374.485 0.454 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)[C@H](C)C1 ZINC000419919663 246367308 /nfs/dbraw/zinc/36/73/08/246367308.db2.gz FKGHHBFWCHWWGL-OAHLLOKOSA-N 2 2 374.485 0.454 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419926049 246372511 /nfs/dbraw/zinc/37/25/11/246372511.db2.gz ASJMTPDFBSHGLF-HNNXBMFYSA-N 2 2 364.465 0.832 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419926049 246372516 /nfs/dbraw/zinc/37/25/16/246372516.db2.gz ASJMTPDFBSHGLF-HNNXBMFYSA-N 2 2 364.465 0.832 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419877236 246342701 /nfs/dbraw/zinc/34/27/01/246342701.db2.gz YBPHUZPNTNXUEB-IUODEOHRSA-N 2 2 350.488 0.807 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000419876409 246342972 /nfs/dbraw/zinc/34/29/72/246342972.db2.gz PPSDZGFLDNSAKN-IAGOWNOFSA-N 3 2 367.538 0.118 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000419876409 246342980 /nfs/dbraw/zinc/34/29/80/246342980.db2.gz PPSDZGFLDNSAKN-IAGOWNOFSA-N 3 2 367.538 0.118 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000419875859 246343840 /nfs/dbraw/zinc/34/38/40/246343840.db2.gz OWMFZHRODSXLEQ-INIZCTEOSA-N 2 2 362.474 0.072 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419881666 246347737 /nfs/dbraw/zinc/34/77/37/246347737.db2.gz BJQYHCBZHWVBGB-MRXNPFEDSA-N 2 2 355.442 0.758 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419884692 246350449 /nfs/dbraw/zinc/35/04/49/246350449.db2.gz GMYDXIXGQNFWMI-ZFWWWQNUSA-N 2 2 350.488 0.822 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000419984072 246402203 /nfs/dbraw/zinc/40/22/03/246402203.db2.gz VMPZJYTURBGHME-UONOGXRCSA-N 2 2 352.504 0.925 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939098 246378660 /nfs/dbraw/zinc/37/86/60/246378660.db2.gz QQJXBSIHRYBQNS-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939098 246378663 /nfs/dbraw/zinc/37/86/63/246378663.db2.gz QQJXBSIHRYBQNS-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000419938175 246378882 /nfs/dbraw/zinc/37/88/82/246378882.db2.gz WOAVXQXXPUQHNS-HOTGVXAUSA-N 2 2 370.457 0.431 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000423380061 247015687 /nfs/dbraw/zinc/01/56/87/247015687.db2.gz GUMHETKVXZMYEX-LMMKCTJWSA-N 2 2 361.486 0.959 20 0 FCADLP O=C(COC1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000423382539 247018324 /nfs/dbraw/zinc/01/83/24/247018324.db2.gz GIGVALRJTKKVAZ-SFHVURJKSA-N 2 2 361.486 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[C@@H]1C[NH3+] ZINC000423399471 247020657 /nfs/dbraw/zinc/02/06/57/247020657.db2.gz WFNQKYUZAWEVAN-OAGGEKHMSA-N 2 2 361.490 0.645 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423306920 247000106 /nfs/dbraw/zinc/00/01/06/247000106.db2.gz FSHNARHVYCCUMB-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423306920 247000111 /nfs/dbraw/zinc/00/01/11/247000111.db2.gz FSHNARHVYCCUMB-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000423310994 247001348 /nfs/dbraw/zinc/00/13/48/247001348.db2.gz BCCPACOWZHHHBS-WBVHZDCISA-N 2 2 359.474 0.497 20 0 FCADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423328105 247006769 /nfs/dbraw/zinc/00/67/69/247006769.db2.gz RYMUOCZJHGGDCR-OAHLLOKOSA-N 2 2 371.503 0.594 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423328930 247006950 /nfs/dbraw/zinc/00/69/50/247006950.db2.gz OGYVKTZLGORYOA-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423328930 247006953 /nfs/dbraw/zinc/00/69/53/247006953.db2.gz OGYVKTZLGORYOA-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423547049 247047867 /nfs/dbraw/zinc/04/78/67/247047867.db2.gz CEIJZTQHUNFUQE-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423429012 247025623 /nfs/dbraw/zinc/02/56/23/247025623.db2.gz ORBRWXSILYAGRD-ZDUSSCGKSA-N 2 2 352.866 0.962 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000423478581 247035198 /nfs/dbraw/zinc/03/51/98/247035198.db2.gz NIVUETXWFSQDJR-ZIAGYGMSSA-N 2 2 350.488 0.761 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000423478577 247035502 /nfs/dbraw/zinc/03/55/02/247035502.db2.gz NIVUETXWFSQDJR-KGLIPLIRSA-N 2 2 350.488 0.761 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423517946 247038934 /nfs/dbraw/zinc/03/89/34/247038934.db2.gz UTGZEUMMRIIXOJ-HNNXBMFYSA-N 2 2 355.442 0.768 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423614026 247076531 /nfs/dbraw/zinc/07/65/31/247076531.db2.gz WQRXVTBQPKNZRK-KRWDZBQOSA-N 2 2 373.501 0.087 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423623431 247081879 /nfs/dbraw/zinc/08/18/79/247081879.db2.gz BYBMKALRNHSCRX-SJORKVTESA-N 2 2 358.486 0.582 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423626154 247082276 /nfs/dbraw/zinc/08/22/76/247082276.db2.gz GVBDYGKSSUBFGP-HOTGVXAUSA-N 2 2 374.485 0.548 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423636107 247084998 /nfs/dbraw/zinc/08/49/98/247084998.db2.gz AYYPLHKTQVMKSI-MRXNPFEDSA-N 2 2 360.458 0.289 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)[C@@H](C)C[NH2+]1 ZINC000423636825 247085445 /nfs/dbraw/zinc/08/54/45/247085445.db2.gz SOKUBIHVKRPLIE-CABCVRRESA-N 2 2 364.515 0.644 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423673871 247105107 /nfs/dbraw/zinc/10/51/07/247105107.db2.gz OZTFOJXHJOHLSO-DLBZAZTESA-N 2 2 374.485 0.405 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423746792 247138033 /nfs/dbraw/zinc/13/80/33/247138033.db2.gz PPERUYUTSZERGO-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423746792 247138037 /nfs/dbraw/zinc/13/80/37/247138037.db2.gz PPERUYUTSZERGO-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)C1(C)C ZINC000423794047 247142141 /nfs/dbraw/zinc/14/21/41/247142141.db2.gz XKRFINQXIHJFNQ-IYOUNJFTSA-N 2 2 355.479 0.615 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)CCOC3C[NH2+]C3)CC2)c1 ZINC000423811005 247144624 /nfs/dbraw/zinc/14/46/24/247144624.db2.gz ONHXRBBAHPCOIF-UHFFFAOYSA-N 2 2 363.458 0.597 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000423924291 247150604 /nfs/dbraw/zinc/15/06/04/247150604.db2.gz ZBLVOKTUTBBWOB-AVGNSLFASA-N 2 2 359.396 0.694 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423923359 247151505 /nfs/dbraw/zinc/15/15/05/247151505.db2.gz XKCZOBYLGFWZLF-JONQDZQNSA-N 2 2 353.442 0.297 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423923359 247151511 /nfs/dbraw/zinc/15/15/11/247151511.db2.gz XKCZOBYLGFWZLF-JONQDZQNSA-N 2 2 353.442 0.297 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000423931318 247153172 /nfs/dbraw/zinc/15/31/72/247153172.db2.gz YEELHZBSBUSYDD-IHRRRGAJSA-N 2 2 356.467 0.811 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000423931318 247153177 /nfs/dbraw/zinc/15/31/77/247153177.db2.gz YEELHZBSBUSYDD-IHRRRGAJSA-N 2 2 356.467 0.811 20 0 FCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000423703168 247115921 /nfs/dbraw/zinc/11/59/21/247115921.db2.gz ZPOHOKALXLDZGX-KRWDZBQOSA-N 2 2 374.485 0.721 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000423725015 247126894 /nfs/dbraw/zinc/12/68/94/247126894.db2.gz SDLVUZQQJYQAAL-AWEZNQCLSA-N 2 2 362.478 0.363 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423727162 247127674 /nfs/dbraw/zinc/12/76/74/247127674.db2.gz LDBZBGRYCIAYCD-MRXNPFEDSA-N 2 2 350.438 0.538 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000423727162 247127678 /nfs/dbraw/zinc/12/76/78/247127678.db2.gz LDBZBGRYCIAYCD-MRXNPFEDSA-N 2 2 350.438 0.538 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000424335278 247198320 /nfs/dbraw/zinc/19/83/20/247198320.db2.gz PDVCBSWSJHLAAD-CZPYZCIJSA-N 2 2 368.503 0.759 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000424125538 247169223 /nfs/dbraw/zinc/16/92/23/247169223.db2.gz AFKZLTVMAGSLMA-GDBMZVCRSA-N 2 2 350.467 0.289 20 0 FCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424131993 247170968 /nfs/dbraw/zinc/17/09/68/247170968.db2.gz JUUXVGYUNVADKD-OAHLLOKOSA-N 2 2 355.446 0.996 20 0 FCADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)C1([NH3+])CCOCC1 ZINC000424185537 247175432 /nfs/dbraw/zinc/17/54/32/247175432.db2.gz FTXVANAMBUQBTO-KBPBESRZSA-N 2 2 353.442 0.299 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000424468692 247229189 /nfs/dbraw/zinc/22/91/89/247229189.db2.gz PKMVCSHDQABXIW-KRWDZBQOSA-N 2 2 360.458 0.715 20 0 FCADLP O[C@@H](C[NH+]1CCC[C@H](n2ccnn2)C1)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499394 247346200 /nfs/dbraw/zinc/34/62/00/247346200.db2.gz AQOKRIVVIYVOED-BJWYYQGGSA-N 2 2 360.466 0.205 20 0 FCADLP COCC(C)(C)[NH+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000425512874 247346940 /nfs/dbraw/zinc/34/69/40/247346940.db2.gz YRZGDAFBQVRBDB-UHFFFAOYSA-N 2 2 370.538 0.256 20 0 FCADLP CCOCCOCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435563298 248001116 /nfs/dbraw/zinc/00/11/16/248001116.db2.gz LPJWWLGOGAHAOI-HNNXBMFYSA-N 2 2 350.463 0.944 20 0 FCADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625470 248002919 /nfs/dbraw/zinc/00/29/19/248002919.db2.gz LQGHAMBCCWWKBE-QZTJIDSGSA-N 3 2 354.539 0.923 20 0 FCADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625470 248002923 /nfs/dbraw/zinc/00/29/23/248002923.db2.gz LQGHAMBCCWWKBE-QZTJIDSGSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625470 248002926 /nfs/dbraw/zinc/00/29/26/248002926.db2.gz LQGHAMBCCWWKBE-QZTJIDSGSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625470 248002930 /nfs/dbraw/zinc/00/29/30/248002930.db2.gz LQGHAMBCCWWKBE-QZTJIDSGSA-N 3 2 354.539 0.923 20 0 FCADLP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCNC(=O)C1 ZINC000435692006 248010819 /nfs/dbraw/zinc/01/08/19/248010819.db2.gz IKJYMPQREOVLPN-HNNXBMFYSA-N 2 2 362.499 0.651 20 0 FCADLP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCNC(=O)C1 ZINC000435692006 248010822 /nfs/dbraw/zinc/01/08/22/248010822.db2.gz IKJYMPQREOVLPN-HNNXBMFYSA-N 2 2 362.499 0.651 20 0 FCADLP C[C@H]1[NH2+]CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H]1C ZINC000436047685 248029006 /nfs/dbraw/zinc/02/90/06/248029006.db2.gz DFOSUHSQQYHAOR-IAGOWNOFSA-N 2 2 360.502 0.817 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000436047255 248029246 /nfs/dbraw/zinc/02/92/46/248029246.db2.gz DJLKESUVITVWHC-AWEZNQCLSA-N 2 2 373.457 0.291 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000436047255 248029250 /nfs/dbraw/zinc/02/92/50/248029250.db2.gz DJLKESUVITVWHC-AWEZNQCLSA-N 2 2 373.457 0.291 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000438890446 248099548 /nfs/dbraw/zinc/09/95/48/248099548.db2.gz OBPYZLPYRSGVSC-ZDUSSCGKSA-N 2 2 354.838 0.066 20 0 FCADLP COC[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000439281292 248117929 /nfs/dbraw/zinc/11/79/29/248117929.db2.gz GMYKPRYVZOTCHA-MHORFTMASA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@@H]1C[NH+](CCOCC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000439281292 248117932 /nfs/dbraw/zinc/11/79/32/248117932.db2.gz GMYKPRYVZOTCHA-MHORFTMASA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281292 248117933 /nfs/dbraw/zinc/11/79/33/248117933.db2.gz GMYKPRYVZOTCHA-MHORFTMASA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281292 248117937 /nfs/dbraw/zinc/11/79/37/248117937.db2.gz GMYKPRYVZOTCHA-MHORFTMASA-N 2 2 360.495 0.474 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CN1CC[NH+]1CCOCC1 ZINC000440813653 248217230 /nfs/dbraw/zinc/21/72/30/248217230.db2.gz BJIXUTAGOMYQPS-GFCCVEGCSA-N 2 2 361.368 0.451 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441184251 248241562 /nfs/dbraw/zinc/24/15/62/248241562.db2.gz UXWQIYZGMRFEAH-YESZJQIVSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441184251 248241567 /nfs/dbraw/zinc/24/15/67/248241567.db2.gz UXWQIYZGMRFEAH-YESZJQIVSA-N 2 2 368.522 0.543 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCCCN1CCCC1=O ZINC000441451717 248253535 /nfs/dbraw/zinc/25/35/35/248253535.db2.gz NVXOAHIHOOEONQ-QGZVFWFLSA-N 2 2 350.507 0.923 20 0 FCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCCCN1CCCC1=O ZINC000441451717 248253537 /nfs/dbraw/zinc/25/35/37/248253537.db2.gz NVXOAHIHOOEONQ-QGZVFWFLSA-N 2 2 350.507 0.923 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H]1CO ZINC000442897770 248298833 /nfs/dbraw/zinc/29/88/33/248298833.db2.gz YXXYBCSLHAZJFZ-VQIMIIECSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H]1CO ZINC000442897770 248298835 /nfs/dbraw/zinc/29/88/35/248298835.db2.gz YXXYBCSLHAZJFZ-VQIMIIECSA-N 2 2 361.486 0.838 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC000444169733 248349891 /nfs/dbraw/zinc/34/98/91/248349891.db2.gz QXLBPTIYTOEYIY-LJQANCHMSA-N 2 2 374.485 0.250 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446621999 248392830 /nfs/dbraw/zinc/39/28/30/248392830.db2.gz YLXNIAQPWDYTPC-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271191577 211354477 /nfs/dbraw/zinc/35/44/77/211354477.db2.gz LPQJLKFGFIWFOE-OAHLLOKOSA-N 2 2 365.503 0.709 20 0 FCADLP COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271191577 211354482 /nfs/dbraw/zinc/35/44/82/211354482.db2.gz LPQJLKFGFIWFOE-OAHLLOKOSA-N 2 2 365.503 0.709 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)c[nH+]2)CCO1 ZINC000467703617 249858481 /nfs/dbraw/zinc/85/84/81/249858481.db2.gz WPUDGLGSXYOXGW-LNRIEFBSSA-N 2 2 372.469 0.738 20 0 FCADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000270707809 211252730 /nfs/dbraw/zinc/25/27/30/211252730.db2.gz KNVPGZIPLWXZIX-MJGOQNOKSA-N 2 2 373.497 0.960 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000471149417 250092089 /nfs/dbraw/zinc/09/20/89/250092089.db2.gz VFYANYWLUQVEBN-UHFFFAOYSA-N 2 2 356.430 0.670 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000471753973 250119734 /nfs/dbraw/zinc/11/97/34/250119734.db2.gz AFJZBGLRYYEPDR-KBMXLJTQSA-N 2 2 354.474 0.972 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000471753973 250119738 /nfs/dbraw/zinc/11/97/38/250119738.db2.gz AFJZBGLRYYEPDR-KBMXLJTQSA-N 2 2 354.474 0.972 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000472489865 250153011 /nfs/dbraw/zinc/15/30/11/250153011.db2.gz XYXDBQKPOREEKU-ZWKOTPCHSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000472489865 250153014 /nfs/dbraw/zinc/15/30/14/250153014.db2.gz XYXDBQKPOREEKU-ZWKOTPCHSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489865 250153017 /nfs/dbraw/zinc/15/30/17/250153017.db2.gz XYXDBQKPOREEKU-ZWKOTPCHSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489865 250153019 /nfs/dbraw/zinc/15/30/19/250153019.db2.gz XYXDBQKPOREEKU-ZWKOTPCHSA-N 2 2 350.507 0.777 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594687 250163836 /nfs/dbraw/zinc/16/38/36/250163836.db2.gz CSSSSUFKTHDXTB-QAPCUYQASA-N 2 2 369.506 0.875 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@H+]1CC=CCC1 ZINC000474125874 250272139 /nfs/dbraw/zinc/27/21/39/250272139.db2.gz WQHDGRAXMIRFRN-UHFFFAOYSA-N 2 2 359.478 0.160 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC[N@@H+]1CC=CCC1 ZINC000474125874 250272141 /nfs/dbraw/zinc/27/21/41/250272141.db2.gz WQHDGRAXMIRFRN-UHFFFAOYSA-N 2 2 359.478 0.160 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000480889837 250291982 /nfs/dbraw/zinc/29/19/82/250291982.db2.gz ADKXQSRCHQTVBF-XUWVNRHRSA-N 2 2 361.490 0.797 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000480889837 250291984 /nfs/dbraw/zinc/29/19/84/250291984.db2.gz ADKXQSRCHQTVBF-XUWVNRHRSA-N 2 2 361.490 0.797 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000269745282 211063362 /nfs/dbraw/zinc/06/33/62/211063362.db2.gz XMKQNDVVIAQHKU-AWEZNQCLSA-N 2 2 372.391 0.942 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000269745282 211063367 /nfs/dbraw/zinc/06/33/67/211063367.db2.gz XMKQNDVVIAQHKU-AWEZNQCLSA-N 2 2 372.391 0.942 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC[N@H+](C)C1 ZINC000413396133 532993388 /nfs/dbraw/zinc/99/33/88/532993388.db2.gz ILTRRHMODSHLLJ-LSDHHAIUSA-N 2 2 363.462 0.815 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC[N@@H+](C)C1 ZINC000413396133 532993394 /nfs/dbraw/zinc/99/33/94/532993394.db2.gz ILTRRHMODSHLLJ-LSDHHAIUSA-N 2 2 363.462 0.815 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+](C)C1 ZINC000413264287 532995420 /nfs/dbraw/zinc/99/54/20/532995420.db2.gz NFGZFOICMWPIBB-CQSZACIVSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+](C)C1 ZINC000413264287 532995428 /nfs/dbraw/zinc/99/54/28/532995428.db2.gz NFGZFOICMWPIBB-CQSZACIVSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413507545 533009929 /nfs/dbraw/zinc/00/99/29/533009929.db2.gz WOPFXQVYXIPQTB-RRFJBIMHSA-N 2 2 363.462 0.225 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413507545 533009933 /nfs/dbraw/zinc/00/99/33/533009933.db2.gz WOPFXQVYXIPQTB-RRFJBIMHSA-N 2 2 363.462 0.225 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413507550 533008550 /nfs/dbraw/zinc/00/85/50/533008550.db2.gz WOPFXQVYXIPQTB-SOUVJXGZSA-N 2 2 363.462 0.225 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413507550 533008555 /nfs/dbraw/zinc/00/85/55/533008555.db2.gz WOPFXQVYXIPQTB-SOUVJXGZSA-N 2 2 363.462 0.225 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073667627 208050740 /nfs/dbraw/zinc/05/07/40/208050740.db2.gz JQPHWPSDIBELQM-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP CCN(C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC000066882860 208018153 /nfs/dbraw/zinc/01/81/53/208018153.db2.gz DQNZUDMPJBEOLK-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072851470 208041459 /nfs/dbraw/zinc/04/14/59/208041459.db2.gz ICUNJWNUWBDLPS-UHFFFAOYSA-N 2 2 359.430 0.847 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000072801437 208042131 /nfs/dbraw/zinc/04/21/31/208042131.db2.gz MYBDLAMVPLJGGR-UHFFFAOYSA-N 2 2 360.502 0.249 20 0 FCADLP O=C(C[NH+](CCO)CCO)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000072939733 208043170 /nfs/dbraw/zinc/04/31/70/208043170.db2.gz SLRUJPDJBQTKPM-KRWDZBQOSA-N 2 2 369.893 0.880 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000081528851 208099144 /nfs/dbraw/zinc/09/91/44/208099144.db2.gz JFJZIBZOUQJQJQ-LSDHHAIUSA-N 2 2 370.519 0.685 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000081284227 208100385 /nfs/dbraw/zinc/10/03/85/208100385.db2.gz FTKFSHLIJSKXBZ-QGZVFWFLSA-N 2 2 360.458 0.272 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000081284227 208100392 /nfs/dbraw/zinc/10/03/92/208100392.db2.gz FTKFSHLIJSKXBZ-QGZVFWFLSA-N 2 2 360.458 0.272 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1)[NH+]1CCOCC1 ZINC000075889848 208063394 /nfs/dbraw/zinc/06/33/94/208063394.db2.gz KVFJKBJPPJCEPQ-QGZVFWFLSA-N 2 2 368.522 0.010 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1CN1CCOCC1)[NH+]1CCOCC1 ZINC000075889848 208063400 /nfs/dbraw/zinc/06/34/00/208063400.db2.gz KVFJKBJPPJCEPQ-QGZVFWFLSA-N 2 2 368.522 0.010 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000077344118 208073650 /nfs/dbraw/zinc/07/36/50/208073650.db2.gz GMSUHNLFSTVLEY-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP NC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000079465456 208088743 /nfs/dbraw/zinc/08/87/43/208088743.db2.gz QCSJKYRZUQUFPU-UHFFFAOYSA-N 2 2 365.503 0.525 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)oc1C ZINC000081043683 208095872 /nfs/dbraw/zinc/09/58/72/208095872.db2.gz BEBCAGPNTPUYNU-MRXNPFEDSA-N 2 2 350.463 0.950 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)oc1C ZINC000081043683 208095879 /nfs/dbraw/zinc/09/58/79/208095879.db2.gz BEBCAGPNTPUYNU-MRXNPFEDSA-N 2 2 350.463 0.950 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000101691594 208164968 /nfs/dbraw/zinc/16/49/68/208164968.db2.gz USFSSZFRCCMZCD-UHFFFAOYSA-N 2 2 371.485 0.881 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000101691594 208164975 /nfs/dbraw/zinc/16/49/75/208164975.db2.gz USFSSZFRCCMZCD-UHFFFAOYSA-N 2 2 371.485 0.881 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000101691515 208165030 /nfs/dbraw/zinc/16/50/30/208165030.db2.gz ASBKFQOOXGHTHX-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000101691515 208165034 /nfs/dbraw/zinc/16/50/34/208165034.db2.gz ASBKFQOOXGHTHX-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000101636569 208166963 /nfs/dbraw/zinc/16/69/63/208166963.db2.gz SQACYBBJFNSWIS-IEBWSBKVSA-N 2 2 360.502 0.812 20 0 FCADLP NC(=O)N1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000102180766 208169254 /nfs/dbraw/zinc/16/92/54/208169254.db2.gz PIEDHHCNSAITCN-UHFFFAOYSA-N 2 2 360.462 0.207 20 0 FCADLP NC(=O)N1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000102180766 208169258 /nfs/dbraw/zinc/16/92/58/208169258.db2.gz PIEDHHCNSAITCN-UHFFFAOYSA-N 2 2 360.462 0.207 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000093188255 208155062 /nfs/dbraw/zinc/15/50/62/208155062.db2.gz UOXGQRUKYOUAIV-UHFFFAOYSA-N 2 2 372.513 0.928 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000093188255 208155070 /nfs/dbraw/zinc/15/50/70/208155070.db2.gz UOXGQRUKYOUAIV-UHFFFAOYSA-N 2 2 372.513 0.928 20 0 FCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104061487 208180576 /nfs/dbraw/zinc/18/05/76/208180576.db2.gz ULOXZILPYIAXDP-SFHVURJKSA-N 2 2 359.474 0.577 20 0 FCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104061487 208180582 /nfs/dbraw/zinc/18/05/82/208180582.db2.gz ULOXZILPYIAXDP-SFHVURJKSA-N 2 2 359.474 0.577 20 0 FCADLP C[N@H+](CCN1CC[NH+](CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000104087567 208181828 /nfs/dbraw/zinc/18/18/28/208181828.db2.gz YAOKGLBGHJADAZ-UHFFFAOYSA-N 2 2 360.502 0.595 20 0 FCADLP C[N@@H+](CCN1CC[NH+](CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000104087567 208181833 /nfs/dbraw/zinc/18/18/33/208181833.db2.gz YAOKGLBGHJADAZ-UHFFFAOYSA-N 2 2 360.502 0.595 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)CC1 ZINC000104875253 208185667 /nfs/dbraw/zinc/18/56/67/208185667.db2.gz LBGVJECUTJBEPH-UHFFFAOYSA-N 2 2 370.453 0.859 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000106526815 208228162 /nfs/dbraw/zinc/22/81/62/208228162.db2.gz NLTMLWZYUSPSGN-KRWDZBQOSA-N 2 2 374.533 0.981 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000106526815 208228169 /nfs/dbraw/zinc/22/81/69/208228169.db2.gz NLTMLWZYUSPSGN-KRWDZBQOSA-N 2 2 374.533 0.981 20 0 FCADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109674640 208258239 /nfs/dbraw/zinc/25/82/39/208258239.db2.gz AMAYUCQJFKWGLU-MRXNPFEDSA-N 2 2 374.489 0.501 20 0 FCADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000109674640 208258245 /nfs/dbraw/zinc/25/82/45/208258245.db2.gz AMAYUCQJFKWGLU-MRXNPFEDSA-N 2 2 374.489 0.501 20 0 FCADLP C[NH+]1CCN(CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000110613286 208267483 /nfs/dbraw/zinc/26/74/83/208267483.db2.gz DTJMRTHWBCOUED-IBGZPJMESA-N 2 2 359.518 0.339 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(Cc3noc(C)n3)CC2)CC1 ZINC000114465771 208313562 /nfs/dbraw/zinc/31/35/62/208313562.db2.gz RZJOELSVWDWWOW-UHFFFAOYSA-N 2 2 350.467 0.096 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112204983 208290071 /nfs/dbraw/zinc/29/00/71/208290071.db2.gz UZSIRGTZZFQPRR-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112507900 208295922 /nfs/dbraw/zinc/29/59/22/208295922.db2.gz WPUSTYPDWJIXPM-CVEARBPZSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112507900 208295928 /nfs/dbraw/zinc/29/59/28/208295928.db2.gz WPUSTYPDWJIXPM-CVEARBPZSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112507900 208295934 /nfs/dbraw/zinc/29/59/34/208295934.db2.gz WPUSTYPDWJIXPM-CVEARBPZSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112507900 208295939 /nfs/dbraw/zinc/29/59/39/208295939.db2.gz WPUSTYPDWJIXPM-CVEARBPZSA-N 2 2 374.489 0.492 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841556 208352685 /nfs/dbraw/zinc/35/26/85/208352685.db2.gz PFKXLWAMFCOKQU-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841556 208352688 /nfs/dbraw/zinc/35/26/88/208352688.db2.gz PFKXLWAMFCOKQU-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841556 208352689 /nfs/dbraw/zinc/35/26/89/208352689.db2.gz PFKXLWAMFCOKQU-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841556 208352691 /nfs/dbraw/zinc/35/26/91/208352691.db2.gz PFKXLWAMFCOKQU-ZIAGYGMSSA-N 2 2 368.503 0.935 20 0 FCADLP CS[C@@H](CO)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000119871840 208370742 /nfs/dbraw/zinc/37/07/42/208370742.db2.gz XWZXDJHRLRMANV-CJNGLKHVSA-N 2 2 358.552 0.957 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000119886306 208371948 /nfs/dbraw/zinc/37/19/48/208371948.db2.gz KXAGWXWLSQNXEE-JKSUJKDBSA-N 2 2 361.490 0.611 20 0 FCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000266196810 210302375 /nfs/dbraw/zinc/30/23/75/210302375.db2.gz VKVAYUYJVBSALG-LBPRGKRZSA-N 2 2 354.476 0.735 20 0 FCADLP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000157161675 208795092 /nfs/dbraw/zinc/79/50/92/208795092.db2.gz PJLXVGIJXLYRAP-INIZCTEOSA-N 2 2 374.551 0.334 20 0 FCADLP CN(CCCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000157161675 208795094 /nfs/dbraw/zinc/79/50/94/208795094.db2.gz PJLXVGIJXLYRAP-INIZCTEOSA-N 2 2 374.551 0.334 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177348870 209021794 /nfs/dbraw/zinc/02/17/94/209021794.db2.gz USYKPRZQTFKSNW-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177348870 209021796 /nfs/dbraw/zinc/02/17/96/209021796.db2.gz USYKPRZQTFKSNW-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP Cn1nccc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000177558460 209028605 /nfs/dbraw/zinc/02/86/05/209028605.db2.gz KXKRBQGGAFOUKF-OAHLLOKOSA-N 2 2 357.462 0.805 20 0 FCADLP C[NH2+]CCCC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000178770008 209059597 /nfs/dbraw/zinc/05/95/97/209059597.db2.gz PXYLIXTXAFNCMA-UHFFFAOYSA-N 2 2 350.438 0.699 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000178733018 209060779 /nfs/dbraw/zinc/06/07/79/209060779.db2.gz YLZPOSPNCRVHNE-DOTOQJQBSA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000178733018 209060781 /nfs/dbraw/zinc/06/07/81/209060781.db2.gz YLZPOSPNCRVHNE-DOTOQJQBSA-N 2 2 365.449 0.804 20 0 FCADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178788269 209061956 /nfs/dbraw/zinc/06/19/56/209061956.db2.gz QOQWXKJJDQPXRE-MOPGFXCFSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178788269 209061960 /nfs/dbraw/zinc/06/19/60/209061960.db2.gz QOQWXKJJDQPXRE-MOPGFXCFSA-N 2 2 358.486 0.394 20 0 FCADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803760 229225157 /nfs/dbraw/zinc/22/51/57/229225157.db2.gz OHKQBBNOMRONGP-IXDOHACOSA-N 2 2 366.506 0.333 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H]1CO ZINC000190362942 229259665 /nfs/dbraw/zinc/25/96/65/229259665.db2.gz UGKHGHNOPPBGOV-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H]1CO ZINC000190362942 229259669 /nfs/dbraw/zinc/25/96/69/229259669.db2.gz UGKHGHNOPPBGOV-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000410476284 230095597 /nfs/dbraw/zinc/09/55/97/230095597.db2.gz PBKKXGFWJQAFOW-OAGGEKHMSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000410476284 230095600 /nfs/dbraw/zinc/09/56/00/230095600.db2.gz PBKKXGFWJQAFOW-OAGGEKHMSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000410476284 230095603 /nfs/dbraw/zinc/09/56/03/230095603.db2.gz PBKKXGFWJQAFOW-OAGGEKHMSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000410476284 230095605 /nfs/dbraw/zinc/09/56/05/230095605.db2.gz PBKKXGFWJQAFOW-OAGGEKHMSA-N 2 2 354.495 0.107 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000410521926 230118984 /nfs/dbraw/zinc/11/89/84/230118984.db2.gz CRKGLTJRMWHYEF-HZPDHXFCSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000410521926 230118986 /nfs/dbraw/zinc/11/89/86/230118986.db2.gz CRKGLTJRMWHYEF-HZPDHXFCSA-N 2 2 359.474 0.508 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410550447 230132890 /nfs/dbraw/zinc/13/28/90/230132890.db2.gz YQLYLBXBBYIAHI-AEFFLSMTSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410550447 230132893 /nfs/dbraw/zinc/13/28/93/230132893.db2.gz YQLYLBXBBYIAHI-AEFFLSMTSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410550453 230132967 /nfs/dbraw/zinc/13/29/67/230132967.db2.gz YQLYLBXBBYIAHI-WMZOPIPTSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000410550453 230132971 /nfs/dbraw/zinc/13/29/71/230132971.db2.gz YQLYLBXBBYIAHI-WMZOPIPTSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000410569517 230138034 /nfs/dbraw/zinc/13/80/34/230138034.db2.gz FVDZJVVFPVDGES-IYBDPMFKSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000410569517 230138036 /nfs/dbraw/zinc/13/80/36/230138036.db2.gz FVDZJVVFPVDGES-IYBDPMFKSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410591552 230146818 /nfs/dbraw/zinc/14/68/18/230146818.db2.gz WDSPEMJDHCOXLJ-IXDOHACOSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410591552 230146822 /nfs/dbraw/zinc/14/68/22/230146822.db2.gz WDSPEMJDHCOXLJ-IXDOHACOSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000410631969 230161553 /nfs/dbraw/zinc/16/15/53/230161553.db2.gz OLNIXLKWDYDDSL-BBWFWOEESA-N 2 2 364.490 0.027 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H](C)O1 ZINC000410631969 230161560 /nfs/dbraw/zinc/16/15/60/230161560.db2.gz OLNIXLKWDYDDSL-BBWFWOEESA-N 2 2 364.490 0.027 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000410785176 230248211 /nfs/dbraw/zinc/24/82/11/230248211.db2.gz SSKBSLGORHWOGU-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000410785176 230248216 /nfs/dbraw/zinc/24/82/16/230248216.db2.gz SSKBSLGORHWOGU-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC[C@H]21 ZINC000934890657 674301575 /nfs/dbraw/zinc/30/15/75/674301575.db2.gz OMWZFDWCLRAVNR-TVFCKZIOSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC[C@H]21 ZINC000934890657 674301578 /nfs/dbraw/zinc/30/15/78/674301578.db2.gz OMWZFDWCLRAVNR-TVFCKZIOSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000935189014 674309839 /nfs/dbraw/zinc/30/98/39/674309839.db2.gz GDBOSXVGMAVDKY-SJORKVTESA-N 2 2 351.491 0.953 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000363650237 488868794 /nfs/dbraw/zinc/86/87/94/488868794.db2.gz DADWOVDSFNQTKC-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000363650237 488868798 /nfs/dbraw/zinc/86/87/98/488868798.db2.gz DADWOVDSFNQTKC-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C2)CC1 ZINC000301165924 488877270 /nfs/dbraw/zinc/87/72/70/488877270.db2.gz CCERXWXOODJGHM-QZTJIDSGSA-N 2 2 374.533 0.902 20 0 FCADLP C[C@@H](CC[NH+](C)C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301382494 488879472 /nfs/dbraw/zinc/87/94/72/488879472.db2.gz VFDHTGLOYMBKKP-AWEZNQCLSA-N 2 2 355.508 0.770 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000562795688 491189326 /nfs/dbraw/zinc/18/93/26/491189326.db2.gz RDVNXHVOMHNSQD-QZTJIDSGSA-N 2 2 362.474 0.656 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301550506 488881858 /nfs/dbraw/zinc/88/18/58/488881858.db2.gz FWAGIUFNWIQOLQ-INIZCTEOSA-N 2 2 368.441 0.945 20 0 FCADLP CC(C)c1nc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc(N(C)C)[nH+]1 ZINC000301950706 488886037 /nfs/dbraw/zinc/88/60/37/488886037.db2.gz ITXFIXFUSMZLBZ-CQSZACIVSA-N 2 2 361.494 0.804 20 0 FCADLP CC(C)c1nc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc(N(C)C)[nH+]1 ZINC000301950706 488886039 /nfs/dbraw/zinc/88/60/39/488886039.db2.gz ITXFIXFUSMZLBZ-CQSZACIVSA-N 2 2 361.494 0.804 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870793 488894665 /nfs/dbraw/zinc/89/46/65/488894665.db2.gz XNOQWBITCNQNJI-KGLIPLIRSA-N 2 2 363.510 0.816 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1nnnc1C(C)(C)C ZINC000363870793 488894667 /nfs/dbraw/zinc/89/46/67/488894667.db2.gz XNOQWBITCNQNJI-KGLIPLIRSA-N 2 2 363.510 0.816 20 0 FCADLP CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363914436 488900203 /nfs/dbraw/zinc/90/02/03/488900203.db2.gz XENOWOKUFCVEAM-MRXNPFEDSA-N 2 2 373.501 0.976 20 0 FCADLP CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363914436 488900204 /nfs/dbraw/zinc/90/02/04/488900204.db2.gz XENOWOKUFCVEAM-MRXNPFEDSA-N 2 2 373.501 0.976 20 0 FCADLP COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000278879746 488902306 /nfs/dbraw/zinc/90/23/06/488902306.db2.gz XSVUBDCLLHEEND-UKRRQHHQSA-N 2 2 365.430 0.650 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279042021 488912755 /nfs/dbraw/zinc/91/27/55/488912755.db2.gz QTOATTFPCSOLSW-CYBMUJFWSA-N 2 2 356.430 0.648 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000364048077 488917425 /nfs/dbraw/zinc/91/74/25/488917425.db2.gz NOGAWZXVCGJLTN-AEFFLSMTSA-N 2 2 371.547 0.987 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287938139 488923589 /nfs/dbraw/zinc/92/35/89/488923589.db2.gz GYRCSURWNYJTTR-MRXNPFEDSA-N 2 2 370.457 0.878 20 0 FCADLP C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364150757 488928060 /nfs/dbraw/zinc/92/80/60/488928060.db2.gz PARAZDRUKLBIGV-ZOBUZTSGSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364150757 488928062 /nfs/dbraw/zinc/92/80/62/488928062.db2.gz PARAZDRUKLBIGV-ZOBUZTSGSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364207863 488935072 /nfs/dbraw/zinc/93/50/72/488935072.db2.gz PDCSQHCPCUVHAL-QWHCGFSZSA-N 2 2 352.508 0.580 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364207863 488935073 /nfs/dbraw/zinc/93/50/73/488935073.db2.gz PDCSQHCPCUVHAL-QWHCGFSZSA-N 2 2 352.508 0.580 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364207864 488935234 /nfs/dbraw/zinc/93/52/34/488935234.db2.gz PDCSQHCPCUVHAL-STQMWFEESA-N 2 2 352.508 0.580 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364207864 488935238 /nfs/dbraw/zinc/93/52/38/488935238.db2.gz PDCSQHCPCUVHAL-STQMWFEESA-N 2 2 352.508 0.580 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3cccs3)C2)CC1 ZINC000364229558 488938096 /nfs/dbraw/zinc/93/80/96/488938096.db2.gz HNNPZAOYIUFPFA-ZDUSSCGKSA-N 2 2 350.488 0.763 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3cccs3)C2)CC1 ZINC000364229558 488938098 /nfs/dbraw/zinc/93/80/98/488938098.db2.gz HNNPZAOYIUFPFA-ZDUSSCGKSA-N 2 2 350.488 0.763 20 0 FCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]CC2=CCCOC2)CC3)CC1 ZINC000328831026 488942328 /nfs/dbraw/zinc/94/23/28/488942328.db2.gz KUDZBMIEKCBBCH-MRXNPFEDSA-N 2 2 373.501 0.769 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000279442418 488942615 /nfs/dbraw/zinc/94/26/15/488942615.db2.gz LOSGNXMHALKIDQ-UHFFFAOYSA-N 2 2 358.486 0.827 20 0 FCADLP CN(C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364289871 488944434 /nfs/dbraw/zinc/94/44/34/488944434.db2.gz KXJGZWSDVOTZER-PBHICJAKSA-N 2 2 363.506 0.560 20 0 FCADLP CN(C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364289871 488944435 /nfs/dbraw/zinc/94/44/35/488944435.db2.gz KXJGZWSDVOTZER-PBHICJAKSA-N 2 2 363.506 0.560 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)CC1 ZINC000328884425 488946624 /nfs/dbraw/zinc/94/66/24/488946624.db2.gz YOYVUPZEENKBKH-UHFFFAOYSA-N 2 2 371.547 0.687 20 0 FCADLP Cc1nn(C)c(=O)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000328921455 488951255 /nfs/dbraw/zinc/95/12/55/488951255.db2.gz BPRMWOSRORPPBJ-UHFFFAOYSA-N 2 2 361.490 0.686 20 0 FCADLP Cc1cc(N2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)nc(C(C)C)[nH+]1 ZINC000010924748 487537896 /nfs/dbraw/zinc/53/78/96/487537896.db2.gz KADNUALKUWZVRF-UHFFFAOYSA-N 2 2 372.473 0.628 20 0 FCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)C[N@H+](C)CCO)CC2)cc1OC ZINC000011483953 487542885 /nfs/dbraw/zinc/54/28/85/487542885.db2.gz OZXSEPKXCVDEGG-UHFFFAOYSA-N 2 2 365.474 0.581 20 0 FCADLP COc1cc(C)c(C[NH+]2CCN(C(=O)C[N@@H+](C)CCO)CC2)cc1OC ZINC000011483953 487542894 /nfs/dbraw/zinc/54/28/94/487542894.db2.gz OZXSEPKXCVDEGG-UHFFFAOYSA-N 2 2 365.474 0.581 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000023618934 487637248 /nfs/dbraw/zinc/63/72/48/487637248.db2.gz QAXJBUKXQNULQD-UHFFFAOYSA-N 2 2 350.390 0.367 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]CC3(S(C)(=O)=O)CCC3)cn2)CC1 ZINC000279658786 488960023 /nfs/dbraw/zinc/96/00/23/488960023.db2.gz GCHGYSKEVBSYAH-UHFFFAOYSA-N 2 2 353.492 0.285 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000041171963 487818319 /nfs/dbraw/zinc/81/83/19/487818319.db2.gz QGWUIZXWHROFGO-AWEZNQCLSA-N 2 2 350.467 0.561 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041487790 487829230 /nfs/dbraw/zinc/82/92/30/487829230.db2.gz BTSQFFBNDJQDKH-GDBMZVCRSA-N 2 2 353.492 0.779 20 0 FCADLP CC(=O)N1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000044857946 487924415 /nfs/dbraw/zinc/92/44/15/487924415.db2.gz DZYNGHUVZUXQTD-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP CC(=O)N1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000044857946 487924419 /nfs/dbraw/zinc/92/44/19/487924419.db2.gz DZYNGHUVZUXQTD-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000047027566 488008286 /nfs/dbraw/zinc/00/82/86/488008286.db2.gz HJYNLITUXAPHHC-CYBMUJFWSA-N 2 2 369.433 0.480 20 0 FCADLP CCNC(=O)CN1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051203675 488128128 /nfs/dbraw/zinc/12/81/28/488128128.db2.gz MJFYMYAJUXAMPZ-QGZVFWFLSA-N 2 2 373.501 0.768 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052293977 488163972 /nfs/dbraw/zinc/16/39/72/488163972.db2.gz GDKNPBMVZUJTLL-UHFFFAOYSA-N 2 2 358.450 0.103 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000053048372 488190496 /nfs/dbraw/zinc/19/04/96/488190496.db2.gz RRXLHUPQFMXBCK-KRWDZBQOSA-N 2 2 372.513 0.972 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000053048372 488190498 /nfs/dbraw/zinc/19/04/98/488190498.db2.gz RRXLHUPQFMXBCK-KRWDZBQOSA-N 2 2 372.513 0.972 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000062464891 488300526 /nfs/dbraw/zinc/30/05/26/488300526.db2.gz VBDDNJZHZUOUPJ-UHFFFAOYSA-N 2 2 366.466 0.735 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cn21 ZINC000069503893 488373037 /nfs/dbraw/zinc/37/30/37/488373037.db2.gz RNCZNDYWGDICRY-UHFFFAOYSA-N 2 2 372.473 0.995 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccccc1 ZINC000073440794 488384591 /nfs/dbraw/zinc/38/45/91/488384591.db2.gz MWTKNCYRKWDLSG-IEBWSBKVSA-N 2 2 364.490 0.672 20 0 FCADLP CC[NH+](CC)CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073437330 488384693 /nfs/dbraw/zinc/38/46/93/488384693.db2.gz KHSAABMQQNJPST-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073664805 488385613 /nfs/dbraw/zinc/38/56/13/488385613.db2.gz BHCXOTHEIXGBHF-CVEARBPZSA-N 2 2 365.522 0.855 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000073774867 488386339 /nfs/dbraw/zinc/38/63/39/488386339.db2.gz PLFLHHJOJJWLIE-QGZVFWFLSA-N 2 2 367.538 0.914 20 0 FCADLP C[N@H+](CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000073821071 488386425 /nfs/dbraw/zinc/38/64/25/488386425.db2.gz LBGWVMKGGLLINA-LJQANCHMSA-N 2 2 364.490 0.501 20 0 FCADLP C[N@@H+](CCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000073821071 488386426 /nfs/dbraw/zinc/38/64/26/488386426.db2.gz LBGWVMKGGLLINA-LJQANCHMSA-N 2 2 364.490 0.501 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000074267352 488389511 /nfs/dbraw/zinc/38/95/11/488389511.db2.gz BVTRGWWWKBZZLJ-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000074267352 488389512 /nfs/dbraw/zinc/38/95/12/488389512.db2.gz BVTRGWWWKBZZLJ-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP CN(CCCNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)S(C)(=O)=O ZINC000075861139 488399791 /nfs/dbraw/zinc/39/97/91/488399791.db2.gz UXVKARGWVHFTOO-HNNXBMFYSA-N 2 2 362.540 0.190 20 0 FCADLP CN(CCCNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)S(C)(=O)=O ZINC000075861139 488399793 /nfs/dbraw/zinc/39/97/93/488399793.db2.gz UXVKARGWVHFTOO-HNNXBMFYSA-N 2 2 362.540 0.190 20 0 FCADLP CN(CCCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)S(C)(=O)=O ZINC000075861139 488399795 /nfs/dbraw/zinc/39/97/95/488399795.db2.gz UXVKARGWVHFTOO-HNNXBMFYSA-N 2 2 362.540 0.190 20 0 FCADLP CN(CCCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)S(C)(=O)=O ZINC000075861139 488399796 /nfs/dbraw/zinc/39/97/96/488399796.db2.gz UXVKARGWVHFTOO-HNNXBMFYSA-N 2 2 362.540 0.190 20 0 FCADLP CN(C(=O)[C@@H]1CCCS1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000075198666 488396202 /nfs/dbraw/zinc/39/62/02/488396202.db2.gz NSILVZQVNNRMSE-INIZCTEOSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000185355765 488401109 /nfs/dbraw/zinc/40/11/09/488401109.db2.gz YHSNIMZADIVFHC-DLBZAZTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000185355765 488401111 /nfs/dbraw/zinc/40/11/11/488401111.db2.gz YHSNIMZADIVFHC-DLBZAZTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000185733868 488402524 /nfs/dbraw/zinc/40/25/24/488402524.db2.gz RNGMNVWKJBKQDT-IXDOHACOSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000185733868 488402526 /nfs/dbraw/zinc/40/25/26/488402526.db2.gz RNGMNVWKJBKQDT-IXDOHACOSA-N 2 2 355.527 0.421 20 0 FCADLP Cc1cc(N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000076411040 488404153 /nfs/dbraw/zinc/40/41/53/488404153.db2.gz YLWVKBXZYGGLTQ-UHFFFAOYSA-N 2 2 360.506 0.804 20 0 FCADLP Cn1cc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000077435317 488412905 /nfs/dbraw/zinc/41/29/05/488412905.db2.gz MWDCKCLNKJFJQO-UHFFFAOYSA-N 2 2 364.475 0.057 20 0 FCADLP COc1cccc([C@H](CNC(=O)NCC[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000077930854 488419270 /nfs/dbraw/zinc/41/92/70/488419270.db2.gz YKGVBVVSUVTKSL-KRWDZBQOSA-N 2 2 350.463 0.929 20 0 FCADLP C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000077911245 488419286 /nfs/dbraw/zinc/41/92/86/488419286.db2.gz COQLJCQDSNJRMW-UHFFFAOYSA-N 2 2 357.414 0.384 20 0 FCADLP CC[NH+](CC)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000192884070 488425106 /nfs/dbraw/zinc/42/51/06/488425106.db2.gz XKMUMCDJTRSUII-UHFFFAOYSA-N 2 2 360.466 0.537 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000079270305 488429307 /nfs/dbraw/zinc/42/93/07/488429307.db2.gz ZDKBMQOZNSCJEQ-KRWDZBQOSA-N 2 2 365.522 0.668 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000079270305 488429309 /nfs/dbraw/zinc/42/93/09/488429309.db2.gz ZDKBMQOZNSCJEQ-KRWDZBQOSA-N 2 2 365.522 0.668 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992914 488433169 /nfs/dbraw/zinc/43/31/69/488433169.db2.gz PDVXMTIZZBOELJ-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000079992914 488433171 /nfs/dbraw/zinc/43/31/71/488433171.db2.gz PDVXMTIZZBOELJ-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000080155000 488434011 /nfs/dbraw/zinc/43/40/11/488434011.db2.gz HPTABVPMRSMDNE-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@@](O)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C[NH+]1CCOCC1 ZINC000080898235 488438457 /nfs/dbraw/zinc/43/84/57/488438457.db2.gz IZMUOGIPOWNUGF-LJQANCHMSA-N 2 2 358.442 0.744 20 0 FCADLP CN1CC[N@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000081255149 488440146 /nfs/dbraw/zinc/44/01/46/488440146.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[N@@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000081255149 488440148 /nfs/dbraw/zinc/44/01/48/488440148.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000081255149 488440149 /nfs/dbraw/zinc/44/01/49/488440149.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000081255149 488440151 /nfs/dbraw/zinc/44/01/51/488440151.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000081255149 488440152 /nfs/dbraw/zinc/44/01/52/488440152.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](c2ccccc2)C1 ZINC000081255149 488440154 /nfs/dbraw/zinc/44/01/54/488440154.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000081255149 488440156 /nfs/dbraw/zinc/44/01/56/488440156.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000081255149 488440157 /nfs/dbraw/zinc/44/01/57/488440157.db2.gz OQJGTTRVSCXXHI-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083721668 488448559 /nfs/dbraw/zinc/44/85/59/488448559.db2.gz DWJLDCBQFHVPCG-MSOLQXFVSA-N 2 2 370.538 0.976 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083721668 488448561 /nfs/dbraw/zinc/44/85/61/488448561.db2.gz DWJLDCBQFHVPCG-MSOLQXFVSA-N 2 2 370.538 0.976 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083735103 488448779 /nfs/dbraw/zinc/44/87/79/488448779.db2.gz DCZPOLHJAZWSJJ-HNNXBMFYSA-N 2 2 365.526 0.559 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083735103 488448781 /nfs/dbraw/zinc/44/87/81/488448781.db2.gz DCZPOLHJAZWSJJ-HNNXBMFYSA-N 2 2 365.526 0.559 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)n1C ZINC000083738215 488449300 /nfs/dbraw/zinc/44/93/00/488449300.db2.gz FZCLICFSJGUNQZ-UHFFFAOYSA-N 2 2 357.462 0.909 20 0 FCADLP CC[NH+](CC)[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)c1cccc(OC)c1 ZINC000236822216 488453489 /nfs/dbraw/zinc/45/34/89/488453489.db2.gz CZUAMUNYPVAPDS-KRWDZBQOSA-N 2 2 362.474 0.626 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000087138107 488453775 /nfs/dbraw/zinc/45/37/75/488453775.db2.gz HWDZVBDONQCXLP-JKSUJKDBSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000087138107 488453776 /nfs/dbraw/zinc/45/37/76/488453776.db2.gz HWDZVBDONQCXLP-JKSUJKDBSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000087138102 488453892 /nfs/dbraw/zinc/45/38/92/488453892.db2.gz HWDZVBDONQCXLP-HOTGVXAUSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000087138102 488453893 /nfs/dbraw/zinc/45/38/93/488453893.db2.gz HWDZVBDONQCXLP-HOTGVXAUSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000087135904 488453927 /nfs/dbraw/zinc/45/39/27/488453927.db2.gz RGTBIYYNTNBFQK-HOTGVXAUSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000087135904 488453929 /nfs/dbraw/zinc/45/39/29/488453929.db2.gz RGTBIYYNTNBFQK-HOTGVXAUSA-N 2 2 363.506 0.561 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000237026597 488454392 /nfs/dbraw/zinc/45/43/92/488454392.db2.gz OMIRRIOFVDRMPC-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000237026597 488454394 /nfs/dbraw/zinc/45/43/94/488454394.db2.gz OMIRRIOFVDRMPC-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C(C)(C)C[NH3+])c2)CC1 ZINC000237139601 488454462 /nfs/dbraw/zinc/45/44/62/488454462.db2.gz JASRFPQZZKFJMY-UHFFFAOYSA-N 2 2 354.476 0.546 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3=O)c2)C[C@@H](C)O1 ZINC000237425535 488455583 /nfs/dbraw/zinc/45/55/83/488455583.db2.gz MJFNAUXWTXMVBB-HUUCEWRRSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@]1(C(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CC[NH2+]C1 ZINC000237524822 488456032 /nfs/dbraw/zinc/45/60/32/488456032.db2.gz NPKMGQQZZHUSTE-IBGZPJMESA-N 2 2 362.449 0.699 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CN1CC[NH2+]CC1=O ZINC000237514973 488456404 /nfs/dbraw/zinc/45/64/04/488456404.db2.gz SXYMCDBPBJWATG-HZPDHXFCSA-N 2 2 358.486 0.691 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000089428537 488457524 /nfs/dbraw/zinc/45/75/24/488457524.db2.gz LLWZIKSPNOEICC-KRWDZBQOSA-N 2 2 360.506 0.920 20 0 FCADLP C[N@H+]1CCC[C@H]1CCN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000089428537 488457527 /nfs/dbraw/zinc/45/75/27/488457527.db2.gz LLWZIKSPNOEICC-KRWDZBQOSA-N 2 2 360.506 0.920 20 0 FCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237893848 488457858 /nfs/dbraw/zinc/45/78/58/488457858.db2.gz WAPQWYSYVYIDRI-OTWHNJEPSA-N 2 2 359.470 0.867 20 0 FCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237893848 488457860 /nfs/dbraw/zinc/45/78/60/488457860.db2.gz WAPQWYSYVYIDRI-OTWHNJEPSA-N 2 2 359.470 0.867 20 0 FCADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926756 488458490 /nfs/dbraw/zinc/45/84/90/488458490.db2.gz CBTHDEVYPJQVAX-SNVBAGLBSA-N 2 2 362.356 0.319 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000246529695 488473436 /nfs/dbraw/zinc/47/34/36/488473436.db2.gz WJPBEUAWMPTDCX-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000246529695 488473437 /nfs/dbraw/zinc/47/34/37/488473437.db2.gz WJPBEUAWMPTDCX-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246803847 488476333 /nfs/dbraw/zinc/47/63/33/488476333.db2.gz JETMVJGRZGBAOZ-KBAYOESNSA-N 2 2 368.522 0.774 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000269243499 488481892 /nfs/dbraw/zinc/48/18/92/488481892.db2.gz OPOFYFSEUODUNG-QGZVFWFLSA-N 2 2 363.458 0.727 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000269251315 488482255 /nfs/dbraw/zinc/48/22/55/488482255.db2.gz PPWJAMMTOQHKGL-OAHLLOKOSA-N 2 2 354.476 0.545 20 0 FCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000269291966 488487452 /nfs/dbraw/zinc/48/74/52/488487452.db2.gz LMSBYKZBIMMPII-INIZCTEOSA-N 2 2 350.488 0.914 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000269291966 488487455 /nfs/dbraw/zinc/48/74/55/488487455.db2.gz LMSBYKZBIMMPII-INIZCTEOSA-N 2 2 350.488 0.914 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000247692236 488488864 /nfs/dbraw/zinc/48/88/64/488488864.db2.gz WCNFNMBIBROBOQ-SJORKVTESA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000247692236 488488867 /nfs/dbraw/zinc/48/88/67/488488867.db2.gz WCNFNMBIBROBOQ-SJORKVTESA-N 2 2 360.506 0.627 20 0 FCADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247687753 488489147 /nfs/dbraw/zinc/48/91/47/488489147.db2.gz SHMYPCPWYAFEJG-UPJWGTAASA-N 2 2 374.445 0.017 20 0 FCADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247687753 488489148 /nfs/dbraw/zinc/48/91/48/488489148.db2.gz SHMYPCPWYAFEJG-UPJWGTAASA-N 2 2 374.445 0.017 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247809475 488489844 /nfs/dbraw/zinc/48/98/44/488489844.db2.gz UKQQAGCFGXETQP-IKGGRYGDSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247809475 488489846 /nfs/dbraw/zinc/48/98/46/488489846.db2.gz UKQQAGCFGXETQP-IKGGRYGDSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247869997 488490680 /nfs/dbraw/zinc/49/06/80/488490680.db2.gz XKFUTQHWXVJWMG-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247869997 488490682 /nfs/dbraw/zinc/49/06/82/488490682.db2.gz XKFUTQHWXVJWMG-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000269339977 488493520 /nfs/dbraw/zinc/49/35/20/488493520.db2.gz VFWAXFYAOCUDOW-UHFFFAOYSA-N 2 2 363.462 0.622 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000102068252 488497386 /nfs/dbraw/zinc/49/73/86/488497386.db2.gz XYZCARHAUZKVMN-UHFFFAOYSA-N 2 2 351.495 0.420 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000102068252 488497388 /nfs/dbraw/zinc/49/73/88/488497388.db2.gz XYZCARHAUZKVMN-UHFFFAOYSA-N 2 2 351.495 0.420 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000103168840 488500296 /nfs/dbraw/zinc/50/02/96/488500296.db2.gz WLXGUHBGWVZTSH-SFHVURJKSA-N 2 2 361.486 0.975 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)CC2)c1 ZINC000248890852 488504258 /nfs/dbraw/zinc/50/42/58/488504258.db2.gz FSRKYMLITUPPGG-MSOLQXFVSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)CC2)c1 ZINC000248890852 488504259 /nfs/dbraw/zinc/50/42/59/488504259.db2.gz FSRKYMLITUPPGG-MSOLQXFVSA-N 2 2 363.502 0.703 20 0 FCADLP C[C@H](CO)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](C)O ZINC000249004420 488505528 /nfs/dbraw/zinc/50/55/28/488505528.db2.gz ZHODRYDSTRGLMB-CVEARBPZSA-N 2 2 350.463 0.184 20 0 FCADLP C[C@H](CO)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](C)O ZINC000249004420 488505529 /nfs/dbraw/zinc/50/55/29/488505529.db2.gz ZHODRYDSTRGLMB-CVEARBPZSA-N 2 2 350.463 0.184 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000249125916 488507029 /nfs/dbraw/zinc/50/70/29/488507029.db2.gz QXSUGCIPVYJBLP-PMPSAXMXSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000249125916 488507030 /nfs/dbraw/zinc/50/70/30/488507030.db2.gz QXSUGCIPVYJBLP-PMPSAXMXSA-N 2 2 356.511 0.582 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000569929888 491203936 /nfs/dbraw/zinc/20/39/36/491203936.db2.gz WDRJFEYBHNQGIM-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000569929888 491203937 /nfs/dbraw/zinc/20/39/37/491203937.db2.gz WDRJFEYBHNQGIM-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249556404 488512338 /nfs/dbraw/zinc/51/23/38/488512338.db2.gz JVWUWSDJDOVTHS-QRWLVFNGSA-N 2 2 374.485 0.932 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249556404 488512340 /nfs/dbraw/zinc/51/23/40/488512340.db2.gz JVWUWSDJDOVTHS-QRWLVFNGSA-N 2 2 374.485 0.932 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249556404 488512342 /nfs/dbraw/zinc/51/23/42/488512342.db2.gz JVWUWSDJDOVTHS-QRWLVFNGSA-N 2 2 374.485 0.932 20 0 FCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249556404 488512344 /nfs/dbraw/zinc/51/23/44/488512344.db2.gz JVWUWSDJDOVTHS-QRWLVFNGSA-N 2 2 374.485 0.932 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249819493 488514727 /nfs/dbraw/zinc/51/47/27/488514727.db2.gz MTABSVKYAQNOKL-AEFFLSMTSA-N 2 2 373.501 0.967 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249819493 488514729 /nfs/dbraw/zinc/51/47/29/488514729.db2.gz MTABSVKYAQNOKL-AEFFLSMTSA-N 2 2 373.501 0.967 20 0 FCADLP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000107398369 488517305 /nfs/dbraw/zinc/51/73/05/488517305.db2.gz ZYRZXWHYBVEDQB-UHFFFAOYSA-N 2 2 359.430 0.969 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110743805 488527030 /nfs/dbraw/zinc/52/70/30/488527030.db2.gz HETRFKMQJNRZII-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261687508 488530878 /nfs/dbraw/zinc/53/08/78/488530878.db2.gz HILBHTXMMKYEMN-GOSISDBHSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261687508 488530880 /nfs/dbraw/zinc/53/08/80/488530880.db2.gz HILBHTXMMKYEMN-GOSISDBHSA-N 2 2 351.447 0.999 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261762921 488535178 /nfs/dbraw/zinc/53/51/78/488535178.db2.gz GAIZFUYVUQGDRY-STQMWFEESA-N 2 2 364.412 0.587 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261762921 488535179 /nfs/dbraw/zinc/53/51/79/488535179.db2.gz GAIZFUYVUQGDRY-STQMWFEESA-N 2 2 364.412 0.587 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000113513689 488538318 /nfs/dbraw/zinc/53/83/18/488538318.db2.gz WMKUGTHUMDXWOJ-MRXNPFEDSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000113513689 488538319 /nfs/dbraw/zinc/53/83/19/488538319.db2.gz WMKUGTHUMDXWOJ-MRXNPFEDSA-N 2 2 352.523 0.975 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000113645112 488538670 /nfs/dbraw/zinc/53/86/70/488538670.db2.gz YJFRAYJYLZPCCL-INIZCTEOSA-N 2 2 374.485 0.867 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC000261869668 488539548 /nfs/dbraw/zinc/53/95/48/488539548.db2.gz NXOYRPDCDLONPV-SOUVJXGZSA-N 2 2 363.462 0.890 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)on1 ZINC000261869668 488539550 /nfs/dbraw/zinc/53/95/50/488539550.db2.gz NXOYRPDCDLONPV-SOUVJXGZSA-N 2 2 363.462 0.890 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)[C@H](C[NH3+])C1 ZINC000569941784 491204950 /nfs/dbraw/zinc/20/49/50/491204950.db2.gz FEASKJJBHCTXRQ-CQSZACIVSA-N 2 2 371.441 0.799 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)[C@H](C[NH3+])C1 ZINC000569941784 491204953 /nfs/dbraw/zinc/20/49/53/491204953.db2.gz FEASKJJBHCTXRQ-CQSZACIVSA-N 2 2 371.441 0.799 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000262058910 488548396 /nfs/dbraw/zinc/54/83/96/488548396.db2.gz IYSXLCDJCIWZHH-HOTGVXAUSA-N 2 2 361.421 0.864 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000262070419 488549288 /nfs/dbraw/zinc/54/92/88/488549288.db2.gz JXHMROWCLQKBBJ-SFHVURJKSA-N 2 2 372.473 0.078 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000262317643 488563780 /nfs/dbraw/zinc/56/37/80/488563780.db2.gz DRUHIPZLDWAKHD-QGZVFWFLSA-N 2 2 363.458 0.392 20 0 FCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000121120983 488564596 /nfs/dbraw/zinc/56/45/96/488564596.db2.gz MIHMKUVVYGSYOO-UHFFFAOYSA-N 2 2 359.518 0.514 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)CC1 ZINC000121151285 488564891 /nfs/dbraw/zinc/56/48/91/488564891.db2.gz YWHUBDHTFOBZAK-UHFFFAOYSA-N 2 2 358.442 0.775 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)CC1 ZINC000121151285 488564893 /nfs/dbraw/zinc/56/48/93/488564893.db2.gz YWHUBDHTFOBZAK-UHFFFAOYSA-N 2 2 358.442 0.775 20 0 FCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000121243668 488565434 /nfs/dbraw/zinc/56/54/34/488565434.db2.gz CDDYRAUTWXOYMB-QGZVFWFLSA-N 2 2 363.506 0.837 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000262357754 488565892 /nfs/dbraw/zinc/56/58/92/488565892.db2.gz JXXDGFXBAQWLRQ-KRWDZBQOSA-N 2 2 363.458 0.392 20 0 FCADLP C[N@@H+](CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)Cc1ccccc1 ZINC000262458672 488571343 /nfs/dbraw/zinc/57/13/43/488571343.db2.gz WUQQUAQLENJORX-UHFFFAOYSA-N 2 2 353.488 0.401 20 0 FCADLP CC[NH+]1CCN(c2ccccc2C[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000121836616 488571577 /nfs/dbraw/zinc/57/15/77/488571577.db2.gz HOYRWQCSCHMMLW-UHFFFAOYSA-N 2 2 366.531 0.906 20 0 FCADLP C[NH2+][C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cnn(C)c1 ZINC000262463686 488571739 /nfs/dbraw/zinc/57/17/39/488571739.db2.gz XNYRFFFXKZTGOB-HOCLYGCPSA-N 2 2 353.492 0.005 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000121909267 488572640 /nfs/dbraw/zinc/57/26/40/488572640.db2.gz FNFSMAZPMGCHKV-HKUYNNGSSA-N 2 2 364.490 0.672 20 0 FCADLP C[NH2+][C@@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)c1cnn(C)c1 ZINC000262483067 488573079 /nfs/dbraw/zinc/57/30/79/488573079.db2.gz ZREXYCLEVHYDNR-QGZVFWFLSA-N 2 2 359.478 0.375 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000122053834 488574515 /nfs/dbraw/zinc/57/45/15/488574515.db2.gz ILKQEOSCERURCD-CRAIPNDOSA-N 2 2 357.458 0.990 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000262531184 488575698 /nfs/dbraw/zinc/57/56/98/488575698.db2.gz OZYRTILINJEKHO-LPHOPBHVSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000262531184 488575700 /nfs/dbraw/zinc/57/57/00/488575700.db2.gz OZYRTILINJEKHO-LPHOPBHVSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262537054 488576351 /nfs/dbraw/zinc/57/63/51/488576351.db2.gz MRRJZQUNQNZPNH-MQWKBWCOSA-N 2 2 362.518 0.951 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCN(C)CC1 ZINC000122470195 488578680 /nfs/dbraw/zinc/57/86/80/488578680.db2.gz BWWBGWKRRVWOPQ-SJORKVTESA-N 2 2 360.506 0.843 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000122592070 488579602 /nfs/dbraw/zinc/57/96/02/488579602.db2.gz ATQULQGXHBTZLI-CVEARBPZSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000122592070 488579605 /nfs/dbraw/zinc/57/96/05/488579605.db2.gz ATQULQGXHBTZLI-CVEARBPZSA-N 2 2 351.495 0.419 20 0 FCADLP COCC[NH2+]CC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000262635555 488583570 /nfs/dbraw/zinc/58/35/70/488583570.db2.gz HLLSDGZEEPSESS-UHFFFAOYSA-N 2 2 351.447 0.584 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CSC[NH2+]1 ZINC000262651844 488584453 /nfs/dbraw/zinc/58/44/53/488584453.db2.gz JRDBIEPPYXQWHV-INIZCTEOSA-N 2 2 351.472 0.676 20 0 FCADLP COc1cc(OC)cc([C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2[nH+]ccn2C)c1 ZINC000262679490 488585818 /nfs/dbraw/zinc/58/58/18/488585818.db2.gz WGDDOCADGLJVMX-JKSUJKDBSA-N 2 2 360.414 0.631 20 0 FCADLP CSCC[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000262696093 488587058 /nfs/dbraw/zinc/58/70/58/488587058.db2.gz DQJIWWIGTYVRGI-AWEZNQCLSA-N 2 2 365.503 0.317 20 0 FCADLP COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000124742471 488595791 /nfs/dbraw/zinc/59/57/91/488595791.db2.gz WGDSQGXWHDCBMX-HNNXBMFYSA-N 2 2 351.451 0.038 20 0 FCADLP COC(=O)Cn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000124742471 488595792 /nfs/dbraw/zinc/59/57/92/488595792.db2.gz WGDSQGXWHDCBMX-HNNXBMFYSA-N 2 2 351.451 0.038 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000125952006 488605560 /nfs/dbraw/zinc/60/55/60/488605560.db2.gz RHYLUDHWBHJEAC-INIZCTEOSA-N 2 2 369.473 0.886 20 0 FCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000126340324 488608280 /nfs/dbraw/zinc/60/82/80/488608280.db2.gz BRVWVXNRJJEHAY-MYYSRTQBSA-N 2 2 352.504 0.819 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCN(C=O)CC3)CC2)c1 ZINC000272934076 488618354 /nfs/dbraw/zinc/61/83/54/488618354.db2.gz NBUXNZWGBXRZMF-UHFFFAOYSA-N 2 2 358.486 0.803 20 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/nfs/dbraw/zinc/63/37/16/488633716.db2.gz QELNBUBZEUAOIA-UHFFFAOYSA-N 2 2 362.474 0.966 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130633768 488639134 /nfs/dbraw/zinc/63/91/34/488639134.db2.gz RWOVUTFZBMPACL-HOTGVXAUSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130633768 488639135 /nfs/dbraw/zinc/63/91/35/488639135.db2.gz RWOVUTFZBMPACL-HOTGVXAUSA-N 2 2 365.522 0.807 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000130746585 488640282 /nfs/dbraw/zinc/64/02/82/488640282.db2.gz FJFKLDAFIHBWGS-ROUUACIJSA-N 2 2 370.538 0.689 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000130746585 488640283 /nfs/dbraw/zinc/64/02/83/488640283.db2.gz FJFKLDAFIHBWGS-ROUUACIJSA-N 2 2 370.538 0.689 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+](C)CCCn2cc[nH+]c2C)c(=O)[nH]c1=O ZINC000130782712 488640288 /nfs/dbraw/zinc/64/02/88/488640288.db2.gz ZELAEJAZGQKOLH-UHFFFAOYSA-N 2 2 362.434 0.239 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)c(=O)[nH]c1=O ZINC000130782712 488640289 /nfs/dbraw/zinc/64/02/89/488640289.db2.gz ZELAEJAZGQKOLH-UHFFFAOYSA-N 2 2 362.434 0.239 20 0 FCADLP CC(C)[N@H+](C)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000131465841 488646117 /nfs/dbraw/zinc/64/61/17/488646117.db2.gz UKLVZBIPDNHDIJ-UHFFFAOYSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)[N@@H+](C)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000131465841 488646119 /nfs/dbraw/zinc/64/61/19/488646119.db2.gz UKLVZBIPDNHDIJ-UHFFFAOYSA-N 2 2 361.490 0.967 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131431477 488646202 /nfs/dbraw/zinc/64/62/02/488646202.db2.gz JDCSKMNCVJNBPI-WMLDXEAASA-N 2 2 350.488 0.770 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)CC1 ZINC000132101357 488650514 /nfs/dbraw/zinc/65/05/14/488650514.db2.gz BLOFCXLUWPULBT-UHFFFAOYSA-N 2 2 372.457 0.829 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000133088709 488657255 /nfs/dbraw/zinc/65/72/55/488657255.db2.gz GDFIUFMGINGEES-UHFFFAOYSA-N 2 2 359.474 0.965 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000133088709 488657257 /nfs/dbraw/zinc/65/72/57/488657257.db2.gz GDFIUFMGINGEES-UHFFFAOYSA-N 2 2 359.474 0.965 20 0 FCADLP Cc1nn(C)c(C)c1OCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000133293686 488658817 /nfs/dbraw/zinc/65/88/17/488658817.db2.gz LCMOFOWLGMSJPX-UHFFFAOYSA-N 2 2 351.495 0.900 20 0 FCADLP Cc1nn(C)c(C)c1OCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000133293686 488658818 /nfs/dbraw/zinc/65/88/18/488658818.db2.gz LCMOFOWLGMSJPX-UHFFFAOYSA-N 2 2 351.495 0.900 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133985274 488663785 /nfs/dbraw/zinc/66/37/85/488663785.db2.gz HBPZSWOOYTZOBY-IEBWSBKVSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133985274 488663787 /nfs/dbraw/zinc/66/37/87/488663787.db2.gz HBPZSWOOYTZOBY-IEBWSBKVSA-N 2 2 361.486 0.972 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21)[NH+]1CCOCC1 ZINC000136181727 488676569 /nfs/dbraw/zinc/67/65/69/488676569.db2.gz AHUSDSDYSGQRCE-HXUWFJFHSA-N 2 2 361.486 0.637 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000137793177 488681360 /nfs/dbraw/zinc/68/13/60/488681360.db2.gz GHCXCLPCJXLSFN-IAGOWNOFSA-N 2 2 374.489 0.787 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000137793177 488681363 /nfs/dbraw/zinc/68/13/63/488681363.db2.gz GHCXCLPCJXLSFN-IAGOWNOFSA-N 2 2 374.489 0.787 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000138737509 488683010 /nfs/dbraw/zinc/68/30/10/488683010.db2.gz LDIUMFHVKDXKAK-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000138737509 488683011 /nfs/dbraw/zinc/68/30/11/488683011.db2.gz LDIUMFHVKDXKAK-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccccc1C[NH+]1C[C@H](CO)OC[C@@H]1C ZINC000138737509 488683013 /nfs/dbraw/zinc/68/30/13/488683013.db2.gz LDIUMFHVKDXKAK-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1C[NH+]1C[C@H](CO)OC[C@@H]1C ZINC000138737509 488683014 /nfs/dbraw/zinc/68/30/14/488683014.db2.gz LDIUMFHVKDXKAK-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000264651863 488694555 /nfs/dbraw/zinc/69/45/55/488694555.db2.gz XGQBIUWTSVTEQT-INIZCTEOSA-N 2 2 374.489 0.821 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000264651863 488694558 /nfs/dbraw/zinc/69/45/58/488694558.db2.gz XGQBIUWTSVTEQT-INIZCTEOSA-N 2 2 374.489 0.821 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000264651867 488694592 /nfs/dbraw/zinc/69/45/92/488694592.db2.gz XGQBIUWTSVTEQT-MRXNPFEDSA-N 2 2 374.489 0.821 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000264651867 488694593 /nfs/dbraw/zinc/69/45/93/488694593.db2.gz XGQBIUWTSVTEQT-MRXNPFEDSA-N 2 2 374.489 0.821 20 0 FCADLP CC(C)[C@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[NH+]1CCOCC1 ZINC000274308497 488697229 /nfs/dbraw/zinc/69/72/29/488697229.db2.gz ABHTVXDMCWCKKE-HNNXBMFYSA-N 2 2 362.478 0.524 20 0 FCADLP CC(C)(CNC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000150779516 488700188 /nfs/dbraw/zinc/70/01/88/488700188.db2.gz MPXULEZSUSKNDU-KRWDZBQOSA-N 2 2 352.523 0.631 20 0 FCADLP [NH3+]CC(=O)NCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000274398083 488704640 /nfs/dbraw/zinc/70/46/40/488704640.db2.gz FYFLRLOFPLGOMM-ZDUSSCGKSA-N 2 2 356.829 0.807 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc[nH+]1 ZINC000152872210 488723952 /nfs/dbraw/zinc/72/39/52/488723952.db2.gz PWDCBDCRYNOKSI-CQSZACIVSA-N 2 2 355.446 0.650 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)cc1 ZINC000563101618 491215592 /nfs/dbraw/zinc/21/55/92/491215592.db2.gz JMNQPDDNBFAOLM-MSOLQXFVSA-N 2 2 358.486 0.949 20 0 FCADLP Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2)cc1 ZINC000563101618 491215593 /nfs/dbraw/zinc/21/55/93/491215593.db2.gz JMNQPDDNBFAOLM-MSOLQXFVSA-N 2 2 358.486 0.949 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153888670 488736429 /nfs/dbraw/zinc/73/64/29/488736429.db2.gz RGAIZPZFMCVYRS-GOSISDBHSA-N 2 2 352.523 0.583 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266930561 488745419 /nfs/dbraw/zinc/74/54/19/488745419.db2.gz MEEZAYLXHYZJOQ-SFHVURJKSA-N 2 2 358.486 0.918 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000266930561 488745421 /nfs/dbraw/zinc/74/54/21/488745421.db2.gz MEEZAYLXHYZJOQ-SFHVURJKSA-N 2 2 358.486 0.918 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000266960326 488748078 /nfs/dbraw/zinc/74/80/78/488748078.db2.gz JRSZZPZWHOJQLK-UHFFFAOYSA-N 2 2 359.434 0.844 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000155749240 488758872 /nfs/dbraw/zinc/75/88/72/488758872.db2.gz BEVPNLBSMZEYTR-IRXDYDNUSA-N 2 2 366.506 0.191 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000156009383 488761341 /nfs/dbraw/zinc/76/13/41/488761341.db2.gz AFHGLCBZWQSEGG-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000156009383 488761342 /nfs/dbraw/zinc/76/13/42/488761342.db2.gz AFHGLCBZWQSEGG-INIZCTEOSA-N 2 2 361.490 0.848 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000155999658 488761427 /nfs/dbraw/zinc/76/14/27/488761427.db2.gz FIGGMNKGDDYDQA-GOSISDBHSA-N 2 2 374.533 0.346 20 0 FCADLP C[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1n1cc[nH+]c1 ZINC000156449311 488765328 /nfs/dbraw/zinc/76/53/28/488765328.db2.gz HNLQLPYDFICKRV-KGLIPLIRSA-N 2 2 371.445 0.213 20 0 FCADLP C[C@@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1n1cc[nH+]c1 ZINC000156449311 488765329 /nfs/dbraw/zinc/76/53/29/488765329.db2.gz HNLQLPYDFICKRV-KGLIPLIRSA-N 2 2 371.445 0.213 20 0 FCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000157000149 488768647 /nfs/dbraw/zinc/76/86/47/488768647.db2.gz HJPIFDCRSUAZPJ-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000157000149 488768649 /nfs/dbraw/zinc/76/86/49/488768649.db2.gz HJPIFDCRSUAZPJ-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000149 488768650 /nfs/dbraw/zinc/76/86/50/488768650.db2.gz HJPIFDCRSUAZPJ-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1Cc1ccccc1 ZINC000157000149 488768652 /nfs/dbraw/zinc/76/86/52/488768652.db2.gz HJPIFDCRSUAZPJ-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158063316 488775273 /nfs/dbraw/zinc/77/52/73/488775273.db2.gz HCXMPHNPCGBNOG-QGZVFWFLSA-N 2 2 359.470 0.580 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158063316 488775275 /nfs/dbraw/zinc/77/52/75/488775275.db2.gz HCXMPHNPCGBNOG-QGZVFWFLSA-N 2 2 359.470 0.580 20 0 FCADLP C[N@@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158230402 488776630 /nfs/dbraw/zinc/77/66/30/488776630.db2.gz WPGGPAILKGUQJP-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000158230402 488776632 /nfs/dbraw/zinc/77/66/32/488776632.db2.gz WPGGPAILKGUQJP-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267529355 488794343 /nfs/dbraw/zinc/79/43/43/488794343.db2.gz UZMMAPCBRLAWBH-ZDUSSCGKSA-N 2 2 350.467 0.419 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000163462163 488807647 /nfs/dbraw/zinc/80/76/47/488807647.db2.gz FUIRRBSDRFDXAE-QZTJIDSGSA-N 2 2 368.522 0.709 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000163647113 488808675 /nfs/dbraw/zinc/80/86/75/488808675.db2.gz VOJQCNLKCNKPJZ-KRWDZBQOSA-N 2 2 360.506 0.987 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000163929810 488809421 /nfs/dbraw/zinc/80/94/21/488809421.db2.gz ZOYVXAUENGYBLE-UHFFFAOYSA-N 2 2 361.481 0.995 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000166134632 488811444 /nfs/dbraw/zinc/81/14/44/488811444.db2.gz WBMBXGXBQHGRBX-ZDUSSCGKSA-N 2 2 352.460 0.171 20 0 FCADLP CC1CC[NH+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3=O)c2)CC1 ZINC000166424976 488811833 /nfs/dbraw/zinc/81/18/33/488811833.db2.gz QQFXBJPVQGOJKX-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)CC1 ZINC000167819502 488812417 /nfs/dbraw/zinc/81/24/17/488812417.db2.gz BYZMOJKIVXLZGG-HNNXBMFYSA-N 2 2 354.520 0.442 20 0 FCADLP O=C(CC1CC[NH2+]CC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000168294938 488812429 /nfs/dbraw/zinc/81/24/29/488812429.db2.gz PNHRSFQMLBIIRY-SFHVURJKSA-N 2 2 361.486 0.960 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171657158 488825218 /nfs/dbraw/zinc/82/52/18/488825218.db2.gz GDOLUCWZBMTQLV-GFCCVEGCSA-N 2 2 353.492 0.860 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171718900 488826340 /nfs/dbraw/zinc/82/63/40/488826340.db2.gz OPRVHRQJTXFOSQ-KRWDZBQOSA-N 2 2 374.533 0.981 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NCC3CC3)CC2)CC1 ZINC000171753547 488826776 /nfs/dbraw/zinc/82/67/76/488826776.db2.gz QFGLSEBAHGRJQI-UHFFFAOYSA-N 2 2 350.507 0.779 20 0 FCADLP CCC(CC)[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173726225 488844849 /nfs/dbraw/zinc/84/48/49/488844849.db2.gz GHSATRMTPNCPIS-WMZOPIPTSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000570207071 491224305 /nfs/dbraw/zinc/22/43/05/491224305.db2.gz FOEGTELWVVJXQQ-CVEARBPZSA-N 2 2 374.485 0.711 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000174369768 488848906 /nfs/dbraw/zinc/84/89/06/488848906.db2.gz ACQCUMCHDMMJDB-UHFFFAOYSA-N 2 2 360.502 0.886 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612904 488850150 /nfs/dbraw/zinc/85/01/50/488850150.db2.gz LENIJKNAHOXPDP-SFHVURJKSA-N 2 2 364.465 0.785 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000174612904 488850151 /nfs/dbraw/zinc/85/01/51/488850151.db2.gz LENIJKNAHOXPDP-SFHVURJKSA-N 2 2 364.465 0.785 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737480 488850858 /nfs/dbraw/zinc/85/08/58/488850858.db2.gz YJDWMOMTKNULFZ-IAGOWNOFSA-N 2 2 360.458 0.796 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737480 488850859 /nfs/dbraw/zinc/85/08/59/488850859.db2.gz YJDWMOMTKNULFZ-IAGOWNOFSA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737480 488850860 /nfs/dbraw/zinc/85/08/60/488850860.db2.gz YJDWMOMTKNULFZ-IAGOWNOFSA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737480 488850861 /nfs/dbraw/zinc/85/08/61/488850861.db2.gz YJDWMOMTKNULFZ-IAGOWNOFSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174783728 488851260 /nfs/dbraw/zinc/85/12/60/488851260.db2.gz DTHYIQHRERJJIJ-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000570200307 491224575 /nfs/dbraw/zinc/22/45/75/491224575.db2.gz YOLUOPOYSDEWIT-CRAIPNDOSA-N 2 2 367.515 0.936 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000175693299 488854935 /nfs/dbraw/zinc/85/49/35/488854935.db2.gz MSYSWLZIRJVAGT-QZTJIDSGSA-N 2 2 368.522 0.707 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000175693283 488855044 /nfs/dbraw/zinc/85/50/44/488855044.db2.gz MSYSWLZIRJVAGT-ROUUACIJSA-N 2 2 368.522 0.707 20 0 FCADLP CN(C)C(=O)C1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000175762800 488855519 /nfs/dbraw/zinc/85/55/19/488855519.db2.gz XSFNKANTZUBJNB-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000175804219 488855677 /nfs/dbraw/zinc/85/56/77/488855677.db2.gz CJKPJALABQGQBX-CVEARBPZSA-N 2 2 368.522 0.260 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000175810168 488856016 /nfs/dbraw/zinc/85/60/16/488856016.db2.gz LRCSNSVEENQBIX-KRWDZBQOSA-N 2 2 355.527 0.234 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000175810168 488856017 /nfs/dbraw/zinc/85/60/17/488856017.db2.gz LRCSNSVEENQBIX-KRWDZBQOSA-N 2 2 355.527 0.234 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272302 488858111 /nfs/dbraw/zinc/85/81/11/488858111.db2.gz ISNVJAAIMQNUIQ-KRWDZBQOSA-N 2 2 360.506 0.789 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272302 488858112 /nfs/dbraw/zinc/85/81/12/488858112.db2.gz ISNVJAAIMQNUIQ-KRWDZBQOSA-N 2 2 360.506 0.789 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272302 488858113 /nfs/dbraw/zinc/85/81/13/488858113.db2.gz ISNVJAAIMQNUIQ-KRWDZBQOSA-N 2 2 360.506 0.789 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000176272302 488858114 /nfs/dbraw/zinc/85/81/14/488858114.db2.gz ISNVJAAIMQNUIQ-KRWDZBQOSA-N 2 2 360.506 0.789 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000178570152 488860573 /nfs/dbraw/zinc/86/05/73/488860573.db2.gz NOUOTNCADNUURE-HNNXBMFYSA-N 2 2 360.462 0.205 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000178570152 488860574 /nfs/dbraw/zinc/86/05/74/488860574.db2.gz NOUOTNCADNUURE-HNNXBMFYSA-N 2 2 360.462 0.205 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1)[NH+]1CCOCC1 ZINC000182017263 488863906 /nfs/dbraw/zinc/86/39/06/488863906.db2.gz IGWIYYWMDLZCOA-INIZCTEOSA-N 2 2 368.522 0.627 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000182279469 488864552 /nfs/dbraw/zinc/86/45/52/488864552.db2.gz MFGYCORMABICLG-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000182279469 488864553 /nfs/dbraw/zinc/86/45/53/488864553.db2.gz MFGYCORMABICLG-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000182279469 488864554 /nfs/dbraw/zinc/86/45/54/488864554.db2.gz MFGYCORMABICLG-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000182279469 488864555 /nfs/dbraw/zinc/86/45/55/488864555.db2.gz MFGYCORMABICLG-HDICACEKSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136286 488973304 /nfs/dbraw/zinc/97/33/04/488973304.db2.gz CPCBBRROHKTZOJ-GUYCJALGSA-N 2 2 367.519 0.646 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136286 488973307 /nfs/dbraw/zinc/97/33/07/488973307.db2.gz CPCBBRROHKTZOJ-GUYCJALGSA-N 2 2 367.519 0.646 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329387520 489000321 /nfs/dbraw/zinc/00/03/21/489000321.db2.gz QYHJFXUWFLIBAK-MRXNPFEDSA-N 2 2 364.494 1.019 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329387520 489000323 /nfs/dbraw/zinc/00/03/23/489000323.db2.gz QYHJFXUWFLIBAK-MRXNPFEDSA-N 2 2 364.494 1.019 20 0 FCADLP CCO[C@H]1C[C@](CO)([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000364840030 489008901 /nfs/dbraw/zinc/00/89/01/489008901.db2.gz LIELFZDLJCBLTQ-AZUAARDMSA-N 2 2 369.550 0.939 20 0 FCADLP CCO[C@H]1C[C@](CO)([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000364840030 489008904 /nfs/dbraw/zinc/00/89/04/489008904.db2.gz LIELFZDLJCBLTQ-AZUAARDMSA-N 2 2 369.550 0.939 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899822 489015737 /nfs/dbraw/zinc/01/57/37/489015737.db2.gz YUQFZKOJNVILFB-CVEARBPZSA-N 2 2 368.503 0.158 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899822 489015740 /nfs/dbraw/zinc/01/57/40/489015740.db2.gz YUQFZKOJNVILFB-CVEARBPZSA-N 2 2 368.503 0.158 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911798 489017261 /nfs/dbraw/zinc/01/72/61/489017261.db2.gz IHQAGKIDNKIFCN-HZPDHXFCSA-N 2 2 368.503 0.029 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911798 489017265 /nfs/dbraw/zinc/01/72/65/489017265.db2.gz IHQAGKIDNKIFCN-HZPDHXFCSA-N 2 2 368.503 0.029 20 0 FCADLP CC(C)NC(=O)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364913371 489017350 /nfs/dbraw/zinc/01/73/50/489017350.db2.gz LVCRJLXHWMUBPZ-MRXNPFEDSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)NC(=O)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364913371 489017353 /nfs/dbraw/zinc/01/73/53/489017353.db2.gz LVCRJLXHWMUBPZ-MRXNPFEDSA-N 2 2 353.511 0.711 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)sn1 ZINC000289023771 489036925 /nfs/dbraw/zinc/03/69/25/489036925.db2.gz ANMQREJCUWXIFV-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sn1 ZINC000289023771 489036927 /nfs/dbraw/zinc/03/69/27/489036927.db2.gz ANMQREJCUWXIFV-UHFFFAOYSA-N 2 2 353.492 0.874 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365095941 489037931 /nfs/dbraw/zinc/03/79/31/489037931.db2.gz AKAMNYAOJOJNSI-KRWDZBQOSA-N 2 2 365.522 0.809 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365095941 489037932 /nfs/dbraw/zinc/03/79/32/489037932.db2.gz AKAMNYAOJOJNSI-KRWDZBQOSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000289045133 489037988 /nfs/dbraw/zinc/03/79/88/489037988.db2.gz NJUHJRLBYAIWOE-KSSFIOAISA-N 2 2 372.469 0.892 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000289045133 489037991 /nfs/dbraw/zinc/03/79/91/489037991.db2.gz NJUHJRLBYAIWOE-KSSFIOAISA-N 2 2 372.469 0.892 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183471 489047022 /nfs/dbraw/zinc/04/70/22/489047022.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183471 489047025 /nfs/dbraw/zinc/04/70/25/489047025.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365183471 489047029 /nfs/dbraw/zinc/04/70/29/489047029.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365183471 489047033 /nfs/dbraw/zinc/04/70/33/489047033.db2.gz HUSFWXDVLZTYQN-ROUUACIJSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183469 489047504 /nfs/dbraw/zinc/04/75/04/489047504.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365183469 489047507 /nfs/dbraw/zinc/04/75/07/489047507.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365183469 489047511 /nfs/dbraw/zinc/04/75/11/489047511.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365183469 489047514 /nfs/dbraw/zinc/04/75/14/489047514.db2.gz HUSFWXDVLZTYQN-MSOLQXFVSA-N 3 2 367.538 0.517 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329907817 489048384 /nfs/dbraw/zinc/04/83/84/489048384.db2.gz LEPREODDWLEHKX-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CN(C(=O)CCN1C(=O)CCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365220639 489050745 /nfs/dbraw/zinc/05/07/45/489050745.db2.gz DZVHAOBBCCMYLS-OAHLLOKOSA-N 2 2 350.463 0.152 20 0 FCADLP CN(C(=O)CCN1C(=O)CCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365220639 489050748 /nfs/dbraw/zinc/05/07/48/489050748.db2.gz DZVHAOBBCCMYLS-OAHLLOKOSA-N 2 2 350.463 0.152 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000289318703 489058578 /nfs/dbraw/zinc/05/85/78/489058578.db2.gz XBDRKZIGODEMHV-UHFFFAOYSA-N 2 2 355.442 0.941 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000289583461 489079125 /nfs/dbraw/zinc/07/91/25/489079125.db2.gz DYAXEMWRDJGRDN-PBHICJAKSA-N 2 2 353.488 0.758 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc[nH+]1 ZINC000365493752 489080819 /nfs/dbraw/zinc/08/08/19/489080819.db2.gz BEXNLNOYSMKTEW-GVDBMIGSSA-N 2 2 361.490 0.863 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000570300215 491232054 /nfs/dbraw/zinc/23/20/54/491232054.db2.gz YPLIBVYSQXHVSP-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000330240900 489083258 /nfs/dbraw/zinc/08/32/58/489083258.db2.gz FLBQKUJKVQSNIC-INIZCTEOSA-N 2 2 366.531 0.391 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](CCO)C[C@H](C)O)CC2)cc1 ZINC000289755013 489091166 /nfs/dbraw/zinc/09/11/66/489091166.db2.gz KJAOITZYLODHAN-INIZCTEOSA-N 2 2 365.474 0.015 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](CCO)C[C@H](C)O)CC2)cc1 ZINC000289755013 489091168 /nfs/dbraw/zinc/09/11/68/489091168.db2.gz KJAOITZYLODHAN-INIZCTEOSA-N 2 2 365.474 0.015 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370211 489094508 /nfs/dbraw/zinc/09/45/08/489094508.db2.gz DTIBUFPCDLDCIB-ZBFHGGJFSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000330370211 489094510 /nfs/dbraw/zinc/09/45/10/489094510.db2.gz DTIBUFPCDLDCIB-ZBFHGGJFSA-N 2 2 354.520 0.833 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000289821661 489095489 /nfs/dbraw/zinc/09/54/89/489095489.db2.gz JKZUPUIWVHVOPF-ZIFCJYIRSA-N 2 2 361.486 0.959 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000365677697 489099430 /nfs/dbraw/zinc/09/94/30/489099430.db2.gz YVAOZDCJEHRYFK-ZDUSSCGKSA-N 2 2 352.464 0.312 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000365677697 489099432 /nfs/dbraw/zinc/09/94/32/489099432.db2.gz YVAOZDCJEHRYFK-ZDUSSCGKSA-N 2 2 352.464 0.312 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC000365737645 489106969 /nfs/dbraw/zinc/10/69/69/489106969.db2.gz QEXCWCQDPVSUAI-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(Cl)cn3)C2)CC1 ZINC000365737645 489106972 /nfs/dbraw/zinc/10/69/72/489106972.db2.gz QEXCWCQDPVSUAI-CYBMUJFWSA-N 2 2 365.865 0.958 20 0 FCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000570329065 491233846 /nfs/dbraw/zinc/23/38/46/491233846.db2.gz FWZYSJVGIISJCX-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)O1 ZINC000570327453 491234153 /nfs/dbraw/zinc/23/41/53/491234153.db2.gz WCDBBFPYIDYFLK-WBVHZDCISA-N 2 2 361.442 0.608 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000282008269 489124381 /nfs/dbraw/zinc/12/43/81/489124381.db2.gz JJHKRBKFUZECKQ-RTBURBONSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000282008269 489124384 /nfs/dbraw/zinc/12/43/84/489124384.db2.gz JJHKRBKFUZECKQ-RTBURBONSA-N 2 2 374.529 0.718 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000290275878 489126810 /nfs/dbraw/zinc/12/68/10/489126810.db2.gz ALWJSCZSWDAZSK-IAGOWNOFSA-N 2 2 371.485 0.863 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290287348 489128009 /nfs/dbraw/zinc/12/80/09/489128009.db2.gz BHFWFSDEWVWEBV-DLBZAZTESA-N 2 2 373.501 0.967 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290287348 489128011 /nfs/dbraw/zinc/12/80/11/489128011.db2.gz BHFWFSDEWVWEBV-DLBZAZTESA-N 2 2 373.501 0.967 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290465521 489142135 /nfs/dbraw/zinc/14/21/35/489142135.db2.gz LNCSWYGWFSZSMZ-MRXNPFEDSA-N 2 2 359.474 0.577 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCNC1=O ZINC000282240615 489147947 /nfs/dbraw/zinc/14/79/47/489147947.db2.gz FZMAVWAVANBAIZ-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCNC1=O ZINC000282240615 489147949 /nfs/dbraw/zinc/14/79/49/489147949.db2.gz FZMAVWAVANBAIZ-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000290543588 489148549 /nfs/dbraw/zinc/14/85/49/489148549.db2.gz OPRJVXCYYQWUSI-HNNXBMFYSA-N 2 2 368.441 0.837 20 0 FCADLP COc1nc(N2CCn3c[nH+]cc3C2)nc(N2CCn3c[nH+]cc3C2)n1 ZINC000290561375 489149835 /nfs/dbraw/zinc/14/98/35/489149835.db2.gz AILBMVDPNZGVPA-UHFFFAOYSA-N 2 2 353.390 0.314 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164883 489153562 /nfs/dbraw/zinc/15/35/62/489153562.db2.gz XCHIKDUZUCNKEH-FUHWJXTLSA-N 2 2 367.538 0.422 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164883 489153565 /nfs/dbraw/zinc/15/35/65/489153565.db2.gz XCHIKDUZUCNKEH-FUHWJXTLSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164883 489153569 /nfs/dbraw/zinc/15/35/69/489153569.db2.gz XCHIKDUZUCNKEH-FUHWJXTLSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164883 489153571 /nfs/dbraw/zinc/15/35/71/489153571.db2.gz XCHIKDUZUCNKEH-FUHWJXTLSA-N 2 2 367.538 0.422 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290719356 489160632 /nfs/dbraw/zinc/16/06/32/489160632.db2.gz XOPVBPDGEKHNJX-ZACQAIPSSA-N 2 2 371.485 0.862 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290719356 489160634 /nfs/dbraw/zinc/16/06/34/489160634.db2.gz XOPVBPDGEKHNJX-ZACQAIPSSA-N 2 2 371.485 0.862 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCNC1=O ZINC000282406014 489160826 /nfs/dbraw/zinc/16/08/26/489160826.db2.gz PYNGVGWWYLZKPB-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCNC1=O ZINC000282406014 489160827 /nfs/dbraw/zinc/16/08/27/489160827.db2.gz PYNGVGWWYLZKPB-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000366305442 489168862 /nfs/dbraw/zinc/16/88/62/489168862.db2.gz JFKWNKSKWREXSW-RHSMWYFYSA-N 2 2 366.506 0.996 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482367 489188080 /nfs/dbraw/zinc/18/80/80/489188080.db2.gz WOGRSWZFPRXKEB-HIFRSBDPSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482367 489188082 /nfs/dbraw/zinc/18/80/82/489188082.db2.gz WOGRSWZFPRXKEB-HIFRSBDPSA-N 2 2 374.551 0.235 20 0 FCADLP COc1ccc(CNC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000563352315 491238588 /nfs/dbraw/zinc/23/85/88/491238588.db2.gz BZDGQBVBNPVRNT-UHFFFAOYSA-N 2 2 359.430 0.865 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000331363506 489201486 /nfs/dbraw/zinc/20/14/86/489201486.db2.gz AKVGSHITNMWXFH-NXHRZFHOSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000331363506 489201489 /nfs/dbraw/zinc/20/14/89/489201489.db2.gz AKVGSHITNMWXFH-NXHRZFHOSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000331363503 489201850 /nfs/dbraw/zinc/20/18/50/489201850.db2.gz AKVGSHITNMWXFH-BPQIPLTHSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000331363503 489201853 /nfs/dbraw/zinc/20/18/53/489201853.db2.gz AKVGSHITNMWXFH-BPQIPLTHSA-N 2 2 358.486 0.945 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350841 491238690 /nfs/dbraw/zinc/23/86/90/491238690.db2.gz RJVNTTAXLNVQKY-QGZVFWFLSA-N 3 2 356.555 0.715 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000563350841 491238691 /nfs/dbraw/zinc/23/86/91/491238691.db2.gz RJVNTTAXLNVQKY-QGZVFWFLSA-N 3 2 356.555 0.715 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000563357505 491239380 /nfs/dbraw/zinc/23/93/80/491239380.db2.gz WFJXTPLGOVNSQS-INIZCTEOSA-N 2 2 369.473 0.738 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000563357505 491239383 /nfs/dbraw/zinc/23/93/83/491239383.db2.gz WFJXTPLGOVNSQS-INIZCTEOSA-N 2 2 369.473 0.738 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)[nH+]c1 ZINC000368969859 489223536 /nfs/dbraw/zinc/22/35/36/489223536.db2.gz PPHZCNHFNDMVMQ-DLBZAZTESA-N 2 2 361.490 1.433 20 0 FCADLP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC(=O)N(C)C1=O ZINC000283183341 489223876 /nfs/dbraw/zinc/22/38/76/489223876.db2.gz ZUYNWESTPJRLTA-OAHLLOKOSA-N 2 2 360.462 0.198 20 0 FCADLP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CC(=O)N(C)C1=O ZINC000283183341 489223879 /nfs/dbraw/zinc/22/38/79/489223879.db2.gz ZUYNWESTPJRLTA-OAHLLOKOSA-N 2 2 360.462 0.198 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000570433945 491240746 /nfs/dbraw/zinc/24/07/46/491240746.db2.gz BTIBQBZEJHLDOK-WBVHZDCISA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000570433945 491240748 /nfs/dbraw/zinc/24/07/48/491240748.db2.gz BTIBQBZEJHLDOK-WBVHZDCISA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000570433943 491240924 /nfs/dbraw/zinc/24/09/24/491240924.db2.gz BTIBQBZEJHLDOK-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000570433943 491240925 /nfs/dbraw/zinc/24/09/25/491240925.db2.gz BTIBQBZEJHLDOK-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297761328 489237101 /nfs/dbraw/zinc/23/71/01/489237101.db2.gz PTKDTGNNBZFBIF-CQSZACIVSA-N 2 2 351.451 0.152 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000283294069 489240661 /nfs/dbraw/zinc/24/06/61/489240661.db2.gz HOISZXMVBBLBRK-QGZVFWFLSA-N 2 2 371.441 0.017 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000283294069 489240665 /nfs/dbraw/zinc/24/06/65/489240665.db2.gz HOISZXMVBBLBRK-QGZVFWFLSA-N 2 2 371.441 0.017 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283298415 489241610 /nfs/dbraw/zinc/24/16/10/489241610.db2.gz PGIIFEFPKZCQAL-UHFFFAOYSA-N 2 2 356.430 0.701 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@@H](C)c3nn[nH]n3)CC2)CC1 ZINC000563389469 491241370 /nfs/dbraw/zinc/24/13/70/491241370.db2.gz AFDRYVXKSPQHJQ-CQSZACIVSA-N 2 2 363.510 0.958 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000297836167 489249152 /nfs/dbraw/zinc/24/91/52/489249152.db2.gz MANAKBOYXXEZPX-UHFFFAOYSA-N 2 2 365.478 0.301 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000297836167 489249153 /nfs/dbraw/zinc/24/91/53/489249153.db2.gz MANAKBOYXXEZPX-UHFFFAOYSA-N 2 2 365.478 0.301 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000283364471 489250043 /nfs/dbraw/zinc/25/00/43/489250043.db2.gz IAOHWQDXJXBHIE-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283364471 489250045 /nfs/dbraw/zinc/25/00/45/489250045.db2.gz IAOHWQDXJXBHIE-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000283368582 489250546 /nfs/dbraw/zinc/25/05/46/489250546.db2.gz VIBDNUVFQXQVCU-UHFFFAOYSA-N 2 2 370.457 0.817 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000332969811 489251882 /nfs/dbraw/zinc/25/18/82/489251882.db2.gz ABPPTNJAXLPGRJ-DLBZAZTESA-N 2 2 368.522 0.774 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000332969811 489251886 /nfs/dbraw/zinc/25/18/86/489251886.db2.gz ABPPTNJAXLPGRJ-DLBZAZTESA-N 2 2 368.522 0.774 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000297862557 489253167 /nfs/dbraw/zinc/25/31/67/489253167.db2.gz NDVZOJRHJRJTOA-DLBZAZTESA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@H]21 ZINC000297862557 489253170 /nfs/dbraw/zinc/25/31/70/489253170.db2.gz NDVZOJRHJRJTOA-DLBZAZTESA-N 2 2 371.485 0.673 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC000297862561 489253349 /nfs/dbraw/zinc/25/33/49/489253349.db2.gz NDVZOJRHJRJTOA-IRXDYDNUSA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC000297862561 489253353 /nfs/dbraw/zinc/25/33/53/489253353.db2.gz NDVZOJRHJRJTOA-IRXDYDNUSA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000283520650 489269607 /nfs/dbraw/zinc/26/96/07/489269607.db2.gz ORBFNSIJSILUHE-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000283520650 489269608 /nfs/dbraw/zinc/26/96/08/489269608.db2.gz ORBFNSIJSILUHE-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NCCC[NH+]3CCOCC3)[nH+]c2c1 ZINC000283541549 489272655 /nfs/dbraw/zinc/27/26/55/489272655.db2.gz KMADVDCLOQRUGO-UHFFFAOYSA-N 2 2 359.430 0.097 20 0 FCADLP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000298007864 489277330 /nfs/dbraw/zinc/27/73/30/489277330.db2.gz BURZRMCQBXYKGK-RDJZCZTQSA-N 2 2 354.520 0.883 20 0 FCADLP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000298007864 489277334 /nfs/dbraw/zinc/27/73/34/489277334.db2.gz BURZRMCQBXYKGK-RDJZCZTQSA-N 2 2 354.520 0.883 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000284277894 489310319 /nfs/dbraw/zinc/31/03/19/489310319.db2.gz NEKUYAOGYCLXTG-AWEZNQCLSA-N 2 2 365.478 0.001 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000284277894 489310322 /nfs/dbraw/zinc/31/03/22/489310322.db2.gz NEKUYAOGYCLXTG-AWEZNQCLSA-N 2 2 365.478 0.001 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)[nH+]c2c1 ZINC000285504802 489319478 /nfs/dbraw/zinc/31/94/78/489319478.db2.gz NTQBQPNATMEMPT-OAHLLOKOSA-N 2 2 373.457 0.343 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000563454319 491248617 /nfs/dbraw/zinc/24/86/17/491248617.db2.gz KEUVWESCHNLQCC-UONOGXRCSA-N 2 2 361.833 0.757 20 0 FCADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC000285859196 489327481 /nfs/dbraw/zinc/32/74/81/489327481.db2.gz IMDZRFSLCKTVLK-LBPRGKRZSA-N 2 2 365.865 0.812 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000350681111 489344884 /nfs/dbraw/zinc/34/48/84/489344884.db2.gz QBOFJFDCTAUEFV-OKILXGFUSA-N 2 2 351.451 0.433 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000350681111 489344885 /nfs/dbraw/zinc/34/48/85/489344885.db2.gz QBOFJFDCTAUEFV-OKILXGFUSA-N 2 2 351.451 0.433 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618329 489345490 /nfs/dbraw/zinc/34/54/90/489345490.db2.gz LGLIZRVJYZZTEH-DLBZAZTESA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000298618329 489345491 /nfs/dbraw/zinc/34/54/91/489345491.db2.gz LGLIZRVJYZZTEH-DLBZAZTESA-N 2 2 371.485 0.673 20 0 FCADLP CN(C)c1noc(CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370384407 489351957 /nfs/dbraw/zinc/35/19/57/489351957.db2.gz CWBNZIIMZWTWCY-HNNXBMFYSA-N 2 2 364.494 0.695 20 0 FCADLP CN(C)c1noc(CCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370384407 489351960 /nfs/dbraw/zinc/35/19/60/489351960.db2.gz CWBNZIIMZWTWCY-HNNXBMFYSA-N 2 2 364.494 0.695 20 0 FCADLP CN(C)c1noc(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370384409 489352023 /nfs/dbraw/zinc/35/20/23/489352023.db2.gz CWBNZIIMZWTWCY-OAHLLOKOSA-N 2 2 364.494 0.695 20 0 FCADLP CN(C)c1noc(CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370384409 489352025 /nfs/dbraw/zinc/35/20/25/489352025.db2.gz CWBNZIIMZWTWCY-OAHLLOKOSA-N 2 2 364.494 0.695 20 0 FCADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N1CCOCC1 ZINC000286121544 489358685 /nfs/dbraw/zinc/35/86/85/489358685.db2.gz VWTJTHCIVYXLEZ-UHFFFAOYSA-N 2 2 360.502 0.989 20 0 FCADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N1CCOCC1 ZINC000286121544 489358688 /nfs/dbraw/zinc/35/86/88/489358688.db2.gz VWTJTHCIVYXLEZ-UHFFFAOYSA-N 2 2 360.502 0.989 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C1CC1 ZINC000286149591 489361222 /nfs/dbraw/zinc/36/12/22/489361222.db2.gz YLCCHWPNXXYPDH-INIZCTEOSA-N 2 2 373.501 0.887 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C1CC1 ZINC000286149591 489361224 /nfs/dbraw/zinc/36/12/24/489361224.db2.gz YLCCHWPNXXYPDH-INIZCTEOSA-N 2 2 373.501 0.887 20 0 FCADLP C[C@@H](O)C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)CO ZINC000370455814 489362593 /nfs/dbraw/zinc/36/25/93/489362593.db2.gz UTTUFJOLFRKVLI-IAGOWNOFSA-N 2 2 371.522 0.201 20 0 FCADLP C[C@@H](O)C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)CO ZINC000370455814 489362596 /nfs/dbraw/zinc/36/25/96/489362596.db2.gz UTTUFJOLFRKVLI-IAGOWNOFSA-N 2 2 371.522 0.201 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000361718565 489363841 /nfs/dbraw/zinc/36/38/41/489363841.db2.gz OZBMSJBNRKUDSR-WBVHZDCISA-N 2 2 362.478 0.576 20 0 FCADLP C(c1nnnn1CC1CCOCC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000370493362 489366362 /nfs/dbraw/zinc/36/63/62/489366362.db2.gz WJDRLOKCCSUYCX-UHFFFAOYSA-N 2 2 364.494 0.644 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511891 489369261 /nfs/dbraw/zinc/36/92/61/489369261.db2.gz BQFRABNKWOEORH-GJZGRUSLSA-N 2 2 351.495 0.465 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511891 489369263 /nfs/dbraw/zinc/36/92/63/489369263.db2.gz BQFRABNKWOEORH-GJZGRUSLSA-N 2 2 351.495 0.465 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370598271 489380309 /nfs/dbraw/zinc/38/03/09/489380309.db2.gz RAABPQPNJWHDBG-HNNXBMFYSA-N 2 2 369.473 0.948 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000370598271 489380312 /nfs/dbraw/zinc/38/03/12/489380312.db2.gz RAABPQPNJWHDBG-HNNXBMFYSA-N 2 2 369.473 0.948 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000362394473 489385551 /nfs/dbraw/zinc/38/55/51/489385551.db2.gz DKLJKHYSNMKCAF-YLFCFFPRSA-N 2 2 354.495 0.336 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688102 489392524 /nfs/dbraw/zinc/39/25/24/489392524.db2.gz LJDKZSXLFLDAQQ-WOJBJXKFSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688102 489392526 /nfs/dbraw/zinc/39/25/26/489392526.db2.gz LJDKZSXLFLDAQQ-WOJBJXKFSA-N 2 2 372.513 0.874 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362703627 489393261 /nfs/dbraw/zinc/39/32/61/489393261.db2.gz QTNWJXBDUYLGOI-RTBURBONSA-N 2 2 358.486 0.566 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362703627 489393264 /nfs/dbraw/zinc/39/32/64/489393264.db2.gz QTNWJXBDUYLGOI-RTBURBONSA-N 2 2 358.486 0.566 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708210 489393503 /nfs/dbraw/zinc/39/35/03/489393503.db2.gz VWOVELKIAUIVBE-SJORKVTESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)CC1 ZINC000362708210 489393505 /nfs/dbraw/zinc/39/35/05/489393505.db2.gz VWOVELKIAUIVBE-SJORKVTESA-N 2 2 362.518 0.920 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659833 489414053 /nfs/dbraw/zinc/41/40/53/489414053.db2.gz LYSOAEBNTJIRAK-GOEBONIOSA-N 2 2 355.442 0.816 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000286659833 489414058 /nfs/dbraw/zinc/41/40/58/489414058.db2.gz LYSOAEBNTJIRAK-GOEBONIOSA-N 2 2 355.442 0.816 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659836 489414347 /nfs/dbraw/zinc/41/43/47/489414347.db2.gz LYSOAEBNTJIRAK-HOCLYGCPSA-N 2 2 355.442 0.816 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000286659836 489414349 /nfs/dbraw/zinc/41/43/49/489414349.db2.gz LYSOAEBNTJIRAK-HOCLYGCPSA-N 2 2 355.442 0.816 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286675900 489416561 /nfs/dbraw/zinc/41/65/61/489416561.db2.gz WMUYAAWNTLPPOI-CABCVRRESA-N 2 2 365.478 0.265 20 0 FCADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000299202388 489416650 /nfs/dbraw/zinc/41/66/50/489416650.db2.gz UXLYLPIAMSAFLS-UHFFFAOYSA-N 2 2 358.486 0.883 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070422 489419053 /nfs/dbraw/zinc/41/90/53/489419053.db2.gz OWMYORBCIHUIIY-ROUUACIJSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000363070422 489419057 /nfs/dbraw/zinc/41/90/57/489419057.db2.gz OWMYORBCIHUIIY-ROUUACIJSA-N 2 2 359.474 0.772 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000286804340 489431197 /nfs/dbraw/zinc/43/11/97/489431197.db2.gz KQYLZMWISHFPIB-UHFFFAOYSA-N 2 2 370.457 0.975 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000299320630 489431972 /nfs/dbraw/zinc/43/19/72/489431972.db2.gz YXXBPNMBJMOASE-IYBDPMFKSA-N 2 2 358.446 0.819 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299485315 489446830 /nfs/dbraw/zinc/44/68/30/489446830.db2.gz IDKKBGCFXGGBMU-BETUJISGSA-N 2 2 350.419 0.644 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000299485315 489446832 /nfs/dbraw/zinc/44/68/32/489446832.db2.gz IDKKBGCFXGGBMU-BETUJISGSA-N 2 2 350.419 0.644 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000563621081 491258762 /nfs/dbraw/zinc/25/87/62/491258762.db2.gz SKYSHTPBQIAKEU-LLVKDONJSA-N 2 2 361.368 0.662 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(-n4cncn4)nc3)C2)CC1 ZINC000363339382 489454219 /nfs/dbraw/zinc/45/42/19/489454219.db2.gz VWZQWHLMOUHNDZ-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(-n4cncn4)nc3)C2)CC1 ZINC000363339382 489454223 /nfs/dbraw/zinc/45/42/23/489454223.db2.gz VWZQWHLMOUHNDZ-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)N1CC[NH+](C)CC1 ZINC000299641550 489466161 /nfs/dbraw/zinc/46/61/61/489466161.db2.gz MZMHJLNSMRWWMA-MRXNPFEDSA-N 2 2 360.506 0.086 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000371349146 489479413 /nfs/dbraw/zinc/47/94/13/489479413.db2.gz FYHASGUHVPIMCO-SFHVURJKSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4c(c3)NC(=O)CO4)C2)CC1 ZINC000371400196 489483016 /nfs/dbraw/zinc/48/30/16/489483016.db2.gz DRPLGRUEPSYFKA-ZDUSSCGKSA-N 2 2 359.430 0.311 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4c(c3)NC(=O)CO4)C2)CC1 ZINC000371400196 489483017 /nfs/dbraw/zinc/48/30/17/489483017.db2.gz DRPLGRUEPSYFKA-ZDUSSCGKSA-N 2 2 359.430 0.311 20 0 FCADLP C[NH+]1CCC(C)(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000371572648 489488734 /nfs/dbraw/zinc/48/87/34/489488734.db2.gz RYCGZSFRIXXRND-INIZCTEOSA-N 2 2 366.506 0.015 20 0 FCADLP CN(C(=O)CC(=O)NCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371609671 489490528 /nfs/dbraw/zinc/49/05/28/489490528.db2.gz WRCNQEKMWDZUDO-ZDUSSCGKSA-N 2 2 364.412 0.682 20 0 FCADLP CN(C(=O)CC(=O)NCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371609671 489490529 /nfs/dbraw/zinc/49/05/29/489490529.db2.gz WRCNQEKMWDZUDO-ZDUSSCGKSA-N 2 2 364.412 0.682 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676693 491256958 /nfs/dbraw/zinc/25/69/58/491256958.db2.gz UZLVNDBRAIXCKZ-MJQMVNBJSA-N 2 2 355.523 0.547 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000570676693 491256961 /nfs/dbraw/zinc/25/69/61/491256961.db2.gz UZLVNDBRAIXCKZ-MJQMVNBJSA-N 2 2 355.523 0.547 20 0 FCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414292978 489495540 /nfs/dbraw/zinc/49/55/40/489495540.db2.gz CMOURJWKBNJMLD-UHFFFAOYSA-N 2 2 351.476 0.863 20 0 FCADLP CC1(C)CC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC(C)(C)[NH2+]1 ZINC000555615361 491259728 /nfs/dbraw/zinc/25/97/28/491259728.db2.gz UIRLYAPKOLGEDO-UHFFFAOYSA-N 2 2 368.522 0.639 20 0 FCADLP CC1(C)CC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC(C)(C)[NH2+]1 ZINC000555615361 491259730 /nfs/dbraw/zinc/25/97/30/491259730.db2.gz UIRLYAPKOLGEDO-UHFFFAOYSA-N 2 2 368.522 0.639 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000414703896 489511306 /nfs/dbraw/zinc/51/13/06/489511306.db2.gz VWAKKRLKAJXFKL-ZDUSSCGKSA-N 2 2 353.426 1.165 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000414703896 489511308 /nfs/dbraw/zinc/51/13/08/489511308.db2.gz VWAKKRLKAJXFKL-ZDUSSCGKSA-N 2 2 353.426 1.165 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000423287563 489511954 /nfs/dbraw/zinc/51/19/54/489511954.db2.gz MYPBWCRTBJHYDF-IYBDPMFKSA-N 2 2 359.474 0.554 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000415185986 489513229 /nfs/dbraw/zinc/51/32/29/489513229.db2.gz JUKBNIFDJKHZIE-HNNXBMFYSA-N 2 2 352.483 1.052 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000415442903 489521487 /nfs/dbraw/zinc/52/14/87/489521487.db2.gz SYAYAFVIGLDNGJ-CABCVRRESA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415582255 489532876 /nfs/dbraw/zinc/53/28/76/489532876.db2.gz UECHGMFDJXAMET-WBVHZDCISA-N 2 2 373.501 0.568 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415609284 489536453 /nfs/dbraw/zinc/53/64/53/489536453.db2.gz VOLDMTQMARGMIK-HXUWFJFHSA-N 2 2 372.469 0.669 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000425872045 489537085 /nfs/dbraw/zinc/53/70/85/489537085.db2.gz NSLMQOXEZHCSCV-UHFFFAOYSA-N 2 2 365.478 0.267 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c2)CC1 ZINC000415618251 489537865 /nfs/dbraw/zinc/53/78/65/489537865.db2.gz WOYCJAIOGLGQLK-UHFFFAOYSA-N 2 2 369.416 0.083 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638095 491261514 /nfs/dbraw/zinc/26/15/14/491261514.db2.gz XQHYHAJANCNWEA-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000555638095 491261517 /nfs/dbraw/zinc/26/15/17/491261517.db2.gz XQHYHAJANCNWEA-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000555638095 491261519 /nfs/dbraw/zinc/26/15/19/491261519.db2.gz XQHYHAJANCNWEA-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000555638095 491261520 /nfs/dbraw/zinc/26/15/20/491261520.db2.gz XQHYHAJANCNWEA-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(OC)cn3)CC2)CC1 ZINC000452053219 489541487 /nfs/dbraw/zinc/54/14/87/489541487.db2.gz XKWJEHUSVXLVHG-INIZCTEOSA-N 2 2 361.490 0.765 20 0 FCADLP COC[C@]1(CNC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCC[NH2+]1 ZINC000415712479 489544074 /nfs/dbraw/zinc/54/40/74/489544074.db2.gz UZVQPVGQESATHK-LJQANCHMSA-N 2 2 371.441 0.910 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984317 489551764 /nfs/dbraw/zinc/55/17/64/489551764.db2.gz HMDSIGINWIMXJE-LSDHHAIUSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984317 489551766 /nfs/dbraw/zinc/55/17/66/489551766.db2.gz HMDSIGINWIMXJE-LSDHHAIUSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000426041376 489553752 /nfs/dbraw/zinc/55/37/52/489553752.db2.gz DWQYUFGHCXIOPJ-CABCVRRESA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000426041376 489553754 /nfs/dbraw/zinc/55/37/54/489553754.db2.gz DWQYUFGHCXIOPJ-CABCVRRESA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426049871 489553826 /nfs/dbraw/zinc/55/38/26/489553826.db2.gz NFQSEHWNBIVGFM-HOTGVXAUSA-N 2 2 367.538 0.946 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000555649378 491262553 /nfs/dbraw/zinc/26/25/53/491262553.db2.gz WAUIDSSPVOTYFA-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)C(=O)NCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372174239 489555683 /nfs/dbraw/zinc/55/56/83/489555683.db2.gz WXEKIRHHQXKRQB-MRXNPFEDSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)C(=O)NCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372174239 489555685 /nfs/dbraw/zinc/55/56/85/489555685.db2.gz WXEKIRHHQXKRQB-MRXNPFEDSA-N 2 2 353.511 0.569 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000415982755 489566674 /nfs/dbraw/zinc/56/66/74/489566674.db2.gz YDEGPECZCDQJPD-UHFFFAOYSA-N 2 2 368.445 0.635 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000372294201 489567565 /nfs/dbraw/zinc/56/75/65/489567565.db2.gz MEJVJDIVVVYIEU-SJLPKXTDSA-N 2 2 362.474 0.508 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000372294201 489567569 /nfs/dbraw/zinc/56/75/69/489567569.db2.gz MEJVJDIVVVYIEU-SJLPKXTDSA-N 2 2 362.474 0.508 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000372294203 489567698 /nfs/dbraw/zinc/56/76/98/489567698.db2.gz MEJVJDIVVVYIEU-WMZOPIPTSA-N 2 2 362.474 0.508 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000372294203 489567701 /nfs/dbraw/zinc/56/77/01/489567701.db2.gz MEJVJDIVVVYIEU-WMZOPIPTSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)[N@H+]1C ZINC000454371763 489569219 /nfs/dbraw/zinc/56/92/19/489569219.db2.gz QINUMJLXWVIGOO-HLLBOEOZSA-N 2 2 356.536 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)[N@@H+]1C ZINC000454371763 489569221 /nfs/dbraw/zinc/56/92/21/489569221.db2.gz QINUMJLXWVIGOO-HLLBOEOZSA-N 2 2 356.536 0.928 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C(C)(C)C ZINC000426478552 489569390 /nfs/dbraw/zinc/56/93/90/489569390.db2.gz DCFGFZJQHBOZEV-CQSZACIVSA-N 2 2 355.527 0.944 20 0 FCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668327 491263733 /nfs/dbraw/zinc/26/37/33/491263733.db2.gz RNWWZOJRZLMJKL-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000555667620 491263995 /nfs/dbraw/zinc/26/39/95/491263995.db2.gz WOZNEMBOHDVOLE-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000555667620 491263996 /nfs/dbraw/zinc/26/39/96/491263996.db2.gz WOZNEMBOHDVOLE-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000372436080 489584443 /nfs/dbraw/zinc/58/44/43/489584443.db2.gz HMNQSQLHAWZOLO-BEFAXECRSA-N 2 2 357.458 0.236 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCNc3cccc[nH+]3)n2)CC1 ZINC000427136181 489595782 /nfs/dbraw/zinc/59/57/82/489595782.db2.gz IPWJROOQCRJCRB-UHFFFAOYSA-N 2 2 371.445 0.712 20 0 FCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372605529 489607832 /nfs/dbraw/zinc/60/78/32/489607832.db2.gz IGEKYHVUBOWRPW-QGZVFWFLSA-N 2 2 371.485 0.867 20 0 FCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372605529 489607834 /nfs/dbraw/zinc/60/78/34/489607834.db2.gz IGEKYHVUBOWRPW-QGZVFWFLSA-N 2 2 371.485 0.867 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689845 491266062 /nfs/dbraw/zinc/26/60/62/491266062.db2.gz JUMSZYPIKXJOGZ-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689845 491266064 /nfs/dbraw/zinc/26/60/64/491266064.db2.gz JUMSZYPIKXJOGZ-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555689845 491266065 /nfs/dbraw/zinc/26/60/65/491266065.db2.gz JUMSZYPIKXJOGZ-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555689845 491266068 /nfs/dbraw/zinc/26/60/68/491266068.db2.gz JUMSZYPIKXJOGZ-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570815684 491266767 /nfs/dbraw/zinc/26/67/67/491266767.db2.gz CZXASGSXJIFIIJ-QBIMZIAESA-N 2 2 360.462 0.525 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417166190 489643831 /nfs/dbraw/zinc/64/38/31/489643831.db2.gz ZARRINXTMPECRU-HZPDHXFCSA-N 2 2 361.494 0.415 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417166191 489643873 /nfs/dbraw/zinc/64/38/73/489643873.db2.gz ZARRINXTMPECRU-JKSUJKDBSA-N 2 2 361.494 0.415 20 0 FCADLP Cc1ccn2cc(CNC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)[nH+]c2c1 ZINC000417251816 489645554 /nfs/dbraw/zinc/64/55/54/489645554.db2.gz ZPUTXTRKCYUIJI-AWEZNQCLSA-N 2 2 358.446 0.639 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257108 489645591 /nfs/dbraw/zinc/64/55/91/489645591.db2.gz GTQGOAQJRJIDIS-WBVHZDCISA-N 2 2 356.536 0.835 20 0 FCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417305416 489647636 /nfs/dbraw/zinc/64/76/36/489647636.db2.gz AUTLFYRYYMGSMV-CABCVRRESA-N 2 2 350.463 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000457580220 489649432 /nfs/dbraw/zinc/64/94/32/489649432.db2.gz PFHTZKXMGRISBE-YVSFHVDLSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@H+]1CCO ZINC000457580220 489649435 /nfs/dbraw/zinc/64/94/35/489649435.db2.gz PFHTZKXMGRISBE-YVSFHVDLSA-N 2 2 356.511 0.582 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000555734810 491269124 /nfs/dbraw/zinc/26/91/24/491269124.db2.gz NPYBUYHBIWYPNG-MRXNPFEDSA-N 2 2 361.490 0.974 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417511450 489656866 /nfs/dbraw/zinc/65/68/66/489656866.db2.gz UDUUMBMYPGRMBE-HNNXBMFYSA-N 2 2 369.510 0.126 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417511450 489656869 /nfs/dbraw/zinc/65/68/69/489656869.db2.gz UDUUMBMYPGRMBE-HNNXBMFYSA-N 2 2 369.510 0.126 20 0 FCADLP [NH3+]CCCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417616084 489659439 /nfs/dbraw/zinc/65/94/39/489659439.db2.gz AQKNACKDWLYNMV-UHFFFAOYSA-N 2 2 353.511 0.749 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417637585 489660276 /nfs/dbraw/zinc/66/02/76/489660276.db2.gz ZCXHQZZCJIYPSS-OAHLLOKOSA-N 2 2 353.511 0.747 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417631861 489660504 /nfs/dbraw/zinc/66/05/04/489660504.db2.gz SFWGODNFPFRMDJ-OAHLLOKOSA-N 2 2 353.511 0.605 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000417675006 489661265 /nfs/dbraw/zinc/66/12/65/489661265.db2.gz BOMJBQJSKUAHDG-MRXNPFEDSA-N 2 2 370.457 0.869 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cn21 ZINC000417992339 489674720 /nfs/dbraw/zinc/67/47/20/489674720.db2.gz OFCBVAVEQMYFFC-CQSZACIVSA-N 2 2 358.446 0.639 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H](C[NH3+])CC(C)C)([NH+]2CCOCC2)C1 ZINC000418079560 489677819 /nfs/dbraw/zinc/67/78/19/489677819.db2.gz ALLSXGHIMYAMPY-HJOIGYKYSA-N 2 2 356.511 0.929 20 0 FCADLP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418299451 489689678 /nfs/dbraw/zinc/68/96/78/489689678.db2.gz NWLMHJBJZDFCDD-UHFFFAOYSA-N 2 2 363.481 0.948 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418362301 489693708 /nfs/dbraw/zinc/69/37/08/489693708.db2.gz BDRHPBHBFVJRJV-CVEARBPZSA-N 2 2 353.511 0.570 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000418383563 489695611 /nfs/dbraw/zinc/69/56/11/489695611.db2.gz JIIZOQGTERQACX-BPUTZDHNSA-N 2 2 354.474 0.829 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000418383563 489695613 /nfs/dbraw/zinc/69/56/13/489695613.db2.gz JIIZOQGTERQACX-BPUTZDHNSA-N 2 2 354.474 0.829 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458848548 489704780 /nfs/dbraw/zinc/70/47/80/489704780.db2.gz RIAMVAZIHDKJPW-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458848548 489704784 /nfs/dbraw/zinc/70/47/84/489704784.db2.gz RIAMVAZIHDKJPW-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[C@H]2CCC[NH2+]2)cn1 ZINC000418551417 489706411 /nfs/dbraw/zinc/70/64/11/489706411.db2.gz PPIONVJLECNSCK-XHSDSOJGSA-N 2 2 352.458 0.774 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[C@H]2CCC[NH2+]2)cn1 ZINC000418551417 489706415 /nfs/dbraw/zinc/70/64/15/489706415.db2.gz PPIONVJLECNSCK-XHSDSOJGSA-N 2 2 352.458 0.774 20 0 FCADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000458903635 489707053 /nfs/dbraw/zinc/70/70/53/489707053.db2.gz BAFCPCYIMTXKTE-SFHVURJKSA-N 2 2 370.538 0.833 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418631007 489713506 /nfs/dbraw/zinc/71/35/06/489713506.db2.gz XPZFXCMPJIWLKG-OAHLLOKOSA-N 2 2 372.477 0.712 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864021 491273608 /nfs/dbraw/zinc/27/36/08/491273608.db2.gz FRFVMSXJDZWAPH-ZACQAIPSSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864021 491273610 /nfs/dbraw/zinc/27/36/10/491273610.db2.gz FRFVMSXJDZWAPH-ZACQAIPSSA-N 2 2 358.442 0.804 20 0 FCADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418668359 489717329 /nfs/dbraw/zinc/71/73/29/489717329.db2.gz GKEOGIGPRBRZIC-CVEARBPZSA-N 2 2 353.511 0.842 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)CC1 ZINC000375645561 489723567 /nfs/dbraw/zinc/72/35/67/489723567.db2.gz UDJVNNYWYUYLKX-IAGOWNOFSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000430222235 489725057 /nfs/dbraw/zinc/72/50/57/489725057.db2.gz UXLZQEOOPCURIK-AWEZNQCLSA-N 2 2 353.492 0.095 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000430222235 489725061 /nfs/dbraw/zinc/72/50/61/489725061.db2.gz UXLZQEOOPCURIK-AWEZNQCLSA-N 2 2 353.492 0.095 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn21 ZINC000418785700 489726909 /nfs/dbraw/zinc/72/69/09/489726909.db2.gz DKZPOLYWPMVPTK-IMJJTQAJSA-N 2 2 355.442 0.845 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000489859882 489731965 /nfs/dbraw/zinc/73/19/65/489731965.db2.gz RBFOMXJBILJBHL-ZDUSSCGKSA-N 2 2 354.476 0.784 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000489859882 489731968 /nfs/dbraw/zinc/73/19/68/489731968.db2.gz RBFOMXJBILJBHL-ZDUSSCGKSA-N 2 2 354.476 0.784 20 0 FCADLP C[C@@H]1NC(=O)N(CC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434856 489732129 /nfs/dbraw/zinc/73/21/29/489732129.db2.gz VDOYMBYHSPCTDS-KXBFYZLASA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434856 489732132 /nfs/dbraw/zinc/73/21/32/489732132.db2.gz VDOYMBYHSPCTDS-KXBFYZLASA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459434856 489732136 /nfs/dbraw/zinc/73/21/36/489732136.db2.gz VDOYMBYHSPCTDS-KXBFYZLASA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459434856 489732138 /nfs/dbraw/zinc/73/21/38/489732138.db2.gz VDOYMBYHSPCTDS-KXBFYZLASA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489886666 489733250 /nfs/dbraw/zinc/73/32/50/489733250.db2.gz QHPBNIURTKEFQM-GJZGRUSLSA-N 2 2 366.456 0.992 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCc1cnn(-c2ccccc2)c1 ZINC000489934981 489736927 /nfs/dbraw/zinc/73/69/27/489736927.db2.gz NPAZZSFJHNOTSP-LJQANCHMSA-N 2 2 368.485 0.468 20 0 FCADLP COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489944253 489736984 /nfs/dbraw/zinc/73/69/84/489736984.db2.gz XVOSNHPZOQVUFE-QGZVFWFLSA-N 2 2 358.486 0.954 20 0 FCADLP CCNC(=O)C(C)(C)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000459556602 489738899 /nfs/dbraw/zinc/73/88/99/489738899.db2.gz ASGBWQNRPVNEHU-UHFFFAOYSA-N 2 2 368.522 0.642 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418824932 489739976 /nfs/dbraw/zinc/73/99/76/489739976.db2.gz DQUPWGVVNAVRRO-KRWDZBQOSA-N 2 2 374.485 0.214 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418824932 489739979 /nfs/dbraw/zinc/73/99/79/489739979.db2.gz DQUPWGVVNAVRRO-KRWDZBQOSA-N 2 2 374.485 0.214 20 0 FCADLP CN1CCO[C@@H]([C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950943 491278630 /nfs/dbraw/zinc/27/86/30/491278630.db2.gz AQCXCUUAXSIZLF-SJLPKXTDSA-N 2 2 366.893 0.733 20 0 FCADLP C[N@H+]1CCO[C@@H]([C@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950943 491278633 /nfs/dbraw/zinc/27/86/33/491278633.db2.gz AQCXCUUAXSIZLF-SJLPKXTDSA-N 2 2 366.893 0.733 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568553 489747352 /nfs/dbraw/zinc/74/73/52/489747352.db2.gz CYAPBXXELVSXQK-SWLSCSKDSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568553 489747355 /nfs/dbraw/zinc/74/73/55/489747355.db2.gz CYAPBXXELVSXQK-SWLSCSKDSA-N 2 2 356.492 0.966 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564513 489747595 /nfs/dbraw/zinc/74/75/95/489747595.db2.gz BNTQJMSSTHTYRS-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430564513 489747598 /nfs/dbraw/zinc/74/75/98/489747598.db2.gz BNTQJMSSTHTYRS-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836526 489748029 /nfs/dbraw/zinc/74/80/29/489748029.db2.gz RKCAYYKXDOBDAQ-NXHRZFHOSA-N 2 2 374.485 0.260 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000418836526 489748034 /nfs/dbraw/zinc/74/80/34/489748034.db2.gz RKCAYYKXDOBDAQ-NXHRZFHOSA-N 2 2 374.485 0.260 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000555852222 491276500 /nfs/dbraw/zinc/27/65/00/491276500.db2.gz AHNAPALEFVMUNB-ULQDDVLXSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCOCC1 ZINC000555852222 491276501 /nfs/dbraw/zinc/27/65/01/491276501.db2.gz AHNAPALEFVMUNB-ULQDDVLXSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430600756 489750423 /nfs/dbraw/zinc/75/04/23/489750423.db2.gz YJDSELWXUATCJH-WBVHZDCISA-N 2 2 359.536 0.908 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614371 489753100 /nfs/dbraw/zinc/75/31/00/489753100.db2.gz YVLNQOGVAPXDCM-CVEARBPZSA-N 2 2 362.474 0.884 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614371 489753107 /nfs/dbraw/zinc/75/31/07/489753107.db2.gz YVLNQOGVAPXDCM-CVEARBPZSA-N 2 2 362.474 0.884 20 0 FCADLP C[NH2+][C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430615376 489753540 /nfs/dbraw/zinc/75/35/40/489753540.db2.gz BMQPMCWGONGXSZ-GOSISDBHSA-N 2 2 358.486 0.559 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000459802975 489754004 /nfs/dbraw/zinc/75/40/04/489754004.db2.gz BIXMDXBMLNTWJE-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430618382 489755013 /nfs/dbraw/zinc/75/50/13/489755013.db2.gz TVXGUVNCWKQFOI-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430618382 489755015 /nfs/dbraw/zinc/75/50/15/489755015.db2.gz TVXGUVNCWKQFOI-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000430626093 489758035 /nfs/dbraw/zinc/75/80/35/489758035.db2.gz QZXJPHDVODCDPE-NEPJUHHUSA-N 2 2 354.476 0.323 20 0 FCADLP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631055 489758999 /nfs/dbraw/zinc/75/89/99/489758999.db2.gz ZRAWUDIOEYIPAF-HOTGVXAUSA-N 2 2 369.473 0.867 20 0 FCADLP C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631055 489759001 /nfs/dbraw/zinc/75/90/01/489759001.db2.gz ZRAWUDIOEYIPAF-HOTGVXAUSA-N 2 2 369.473 0.867 20 0 FCADLP [NH3+]C1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000430636986 489760497 /nfs/dbraw/zinc/76/04/97/489760497.db2.gz BPWFKUGQUWBIJE-UHFFFAOYSA-N 2 2 358.486 0.689 20 0 FCADLP C[C@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000430637196 489760813 /nfs/dbraw/zinc/76/08/13/489760813.db2.gz BWUZKTBVOLIAPA-ZDUSSCGKSA-N 2 2 352.866 0.881 20 0 FCADLP C[C@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000430637196 489760815 /nfs/dbraw/zinc/76/08/15/489760815.db2.gz BWUZKTBVOLIAPA-ZDUSSCGKSA-N 2 2 352.866 0.881 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430653653 489762865 /nfs/dbraw/zinc/76/28/65/489762865.db2.gz PGNUFKNRHUAAQG-HNNXBMFYSA-N 2 2 362.474 0.578 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430653653 489762867 /nfs/dbraw/zinc/76/28/67/489762867.db2.gz PGNUFKNRHUAAQG-HNNXBMFYSA-N 2 2 362.474 0.578 20 0 FCADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430653654 489763451 /nfs/dbraw/zinc/76/34/51/489763451.db2.gz PGNUFKNRHUAAQG-OAHLLOKOSA-N 2 2 362.474 0.578 20 0 FCADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430653654 489763456 /nfs/dbraw/zinc/76/34/56/489763456.db2.gz PGNUFKNRHUAAQG-OAHLLOKOSA-N 2 2 362.474 0.578 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000459837622 489764408 /nfs/dbraw/zinc/76/44/08/489764408.db2.gz TWBPXYBZNRBMTH-UHFFFAOYSA-N 2 2 359.474 0.530 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459856338 489770217 /nfs/dbraw/zinc/77/02/17/489770217.db2.gz BIFDLFHVSNUSIS-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CCN1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474581025 489771196 /nfs/dbraw/zinc/77/11/96/489771196.db2.gz MPAYIHQONNYDIN-GJZGRUSLSA-N 2 2 350.467 0.519 20 0 FCADLP CCN1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474581025 489771201 /nfs/dbraw/zinc/77/12/01/489771201.db2.gz MPAYIHQONNYDIN-GJZGRUSLSA-N 2 2 350.467 0.519 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000418878259 489771538 /nfs/dbraw/zinc/77/15/38/489771538.db2.gz QUSJFYNMTPZMDA-DOMZBBRYSA-N 2 2 352.866 0.866 20 0 FCADLP O=C(COC1C[NH2+]C1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000430840439 489773352 /nfs/dbraw/zinc/77/33/52/489773352.db2.gz RYWIVPIOFQKWAS-UHFFFAOYSA-N 2 2 353.850 0.851 20 0 FCADLP C[NH2+]CC1CC[NH+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430920667 489777277 /nfs/dbraw/zinc/77/72/77/489777277.db2.gz PWEQJQPYCVVWIQ-QGZVFWFLSA-N 2 2 371.547 0.876 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418891504 489777549 /nfs/dbraw/zinc/77/75/49/489777549.db2.gz ULRXBWDJHCGLCG-OAHLLOKOSA-N 2 2 357.458 0.967 20 0 FCADLP C[NH2+]C1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000430917423 489777723 /nfs/dbraw/zinc/77/77/23/489777723.db2.gz DDIISKYMHSDHIZ-UHFFFAOYSA-N 2 2 350.488 0.716 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418889311 489777716 /nfs/dbraw/zinc/77/77/16/489777716.db2.gz AVEDXMSHJVMPCK-INIZCTEOSA-N 2 2 355.442 0.941 20 0 FCADLP O=C(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)N1CCn2c[nH+]cc2C1 ZINC000459879993 489779099 /nfs/dbraw/zinc/77/90/99/489779099.db2.gz ALNKQLUJHLMJKN-UHFFFAOYSA-N 2 2 367.453 0.960 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CCn2c[nH+]cc2C1 ZINC000459879993 489779103 /nfs/dbraw/zinc/77/91/03/489779103.db2.gz ALNKQLUJHLMJKN-UHFFFAOYSA-N 2 2 367.453 0.960 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934556 489779772 /nfs/dbraw/zinc/77/97/72/489779772.db2.gz NBJCXFRAXAYDFX-RDBSUJKOSA-N 2 2 368.503 0.441 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934556 489779776 /nfs/dbraw/zinc/77/97/76/489779776.db2.gz NBJCXFRAXAYDFX-RDBSUJKOSA-N 2 2 368.503 0.441 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952307 489780737 /nfs/dbraw/zinc/78/07/37/489780737.db2.gz PGNVVJOYTFEVCP-KGLIPLIRSA-N 2 2 368.503 0.805 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952307 489780739 /nfs/dbraw/zinc/78/07/39/489780739.db2.gz PGNVVJOYTFEVCP-KGLIPLIRSA-N 2 2 368.503 0.805 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952308 489780744 /nfs/dbraw/zinc/78/07/44/489780744.db2.gz PGNVVJOYTFEVCP-UONOGXRCSA-N 2 2 368.503 0.805 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000430952308 489780747 /nfs/dbraw/zinc/78/07/47/489780747.db2.gz PGNVVJOYTFEVCP-UONOGXRCSA-N 2 2 368.503 0.805 20 0 FCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430957347 489781733 /nfs/dbraw/zinc/78/17/33/489781733.db2.gz OLGIABILNQTYJJ-OLZOCXBDSA-N 2 2 368.503 0.584 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000430960317 489782108 /nfs/dbraw/zinc/78/21/08/489782108.db2.gz IGWHIMRTJZYHSR-KGLIPLIRSA-N 2 2 350.438 0.660 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000430960317 489782111 /nfs/dbraw/zinc/78/21/11/489782111.db2.gz IGWHIMRTJZYHSR-KGLIPLIRSA-N 2 2 350.438 0.660 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968695 489782871 /nfs/dbraw/zinc/78/28/71/489782871.db2.gz AZOQKFRDGZRLNU-JMSVASOKSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968695 489782875 /nfs/dbraw/zinc/78/28/75/489782875.db2.gz AZOQKFRDGZRLNU-JMSVASOKSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000418906105 489784266 /nfs/dbraw/zinc/78/42/66/489784266.db2.gz QAJKTKGIXNVEGF-CABCVRRESA-N 2 2 355.442 0.756 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000555865811 491278491 /nfs/dbraw/zinc/27/84/91/491278491.db2.gz OHSUJDILXYOKPZ-UHFFFAOYSA-N 2 2 357.458 0.793 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000459905284 489786908 /nfs/dbraw/zinc/78/69/08/489786908.db2.gz NOWFTEVRRLSLON-UHFFFAOYSA-N 2 2 364.494 0.100 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418915034 489789133 /nfs/dbraw/zinc/78/91/33/489789133.db2.gz PNHBUAQUCQEKAR-QGZVFWFLSA-N 2 2 362.474 0.235 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1C ZINC000459914046 489790216 /nfs/dbraw/zinc/79/02/16/489790216.db2.gz KNVQNIPXOSSSOD-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@H+]1C ZINC000459914046 489790219 /nfs/dbraw/zinc/79/02/19/489790219.db2.gz KNVQNIPXOSSSOD-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000418915380 489790414 /nfs/dbraw/zinc/79/04/14/489790414.db2.gz ZGIPXPJJMNHLLO-CRAIPNDOSA-N 2 2 369.469 0.991 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000376801878 489798482 /nfs/dbraw/zinc/79/84/82/489798482.db2.gz NXNBGVNEAROSPD-KZNAEPCWSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000376801878 489798486 /nfs/dbraw/zinc/79/84/86/489798486.db2.gz NXNBGVNEAROSPD-KZNAEPCWSA-N 2 2 368.522 0.848 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945550 489799787 /nfs/dbraw/zinc/79/97/87/489799787.db2.gz PWRDRPUWWBXTHV-OCCSQVGLSA-N 2 2 350.488 0.479 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000418945550 489799791 /nfs/dbraw/zinc/79/97/91/489799791.db2.gz PWRDRPUWWBXTHV-OCCSQVGLSA-N 2 2 350.488 0.479 20 0 FCADLP COCC[N@H+](C)C[C@H](O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555880181 491279534 /nfs/dbraw/zinc/27/95/34/491279534.db2.gz IJEKQQUIDRJMLX-KRWDZBQOSA-N 2 2 365.522 0.970 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555880181 491279535 /nfs/dbraw/zinc/27/95/35/491279535.db2.gz IJEKQQUIDRJMLX-KRWDZBQOSA-N 2 2 365.522 0.970 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000418948938 489801431 /nfs/dbraw/zinc/80/14/31/489801431.db2.gz UIDKPUZMYLZIJE-ZDUSSCGKSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000418948938 489801438 /nfs/dbraw/zinc/80/14/38/489801438.db2.gz UIDKPUZMYLZIJE-ZDUSSCGKSA-N 2 2 364.515 0.808 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418950104 489801850 /nfs/dbraw/zinc/80/18/50/489801850.db2.gz VQOJUOFJBYTFNE-AWEZNQCLSA-N 2 2 350.488 0.562 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418950104 489801852 /nfs/dbraw/zinc/80/18/52/489801852.db2.gz VQOJUOFJBYTFNE-AWEZNQCLSA-N 2 2 350.488 0.562 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000459984942 489809830 /nfs/dbraw/zinc/80/98/30/489809830.db2.gz DKULGQVHHSEQGD-RDJZCZTQSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000459984942 489809834 /nfs/dbraw/zinc/80/98/34/489809834.db2.gz DKULGQVHHSEQGD-RDJZCZTQSA-N 2 2 368.522 0.497 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000459995121 489811728 /nfs/dbraw/zinc/81/17/28/489811728.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000459995121 489811732 /nfs/dbraw/zinc/81/17/32/489811732.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459995121 489811733 /nfs/dbraw/zinc/81/17/33/489811733.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459995121 489811737 /nfs/dbraw/zinc/81/17/37/489811737.db2.gz XCSKBTDBLFRPAV-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000459995580 489812922 /nfs/dbraw/zinc/81/29/22/489812922.db2.gz YSKFFPHZXZPMAM-DOTOQJQBSA-N 2 2 368.522 0.090 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000459995580 489812924 /nfs/dbraw/zinc/81/29/24/489812924.db2.gz YSKFFPHZXZPMAM-DOTOQJQBSA-N 2 2 368.522 0.090 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000431983509 489825449 /nfs/dbraw/zinc/82/54/49/489825449.db2.gz WPKGEEFUNRATEW-ZDUSSCGKSA-N 2 2 372.429 0.567 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419040078 489830533 /nfs/dbraw/zinc/83/05/33/489830533.db2.gz LSIGUJCQHJPJIH-HZPDHXFCSA-N 2 2 353.426 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000419055454 489837768 /nfs/dbraw/zinc/83/77/68/489837768.db2.gz BCADROCDECNWRO-IOASZLSFSA-N 2 2 373.432 0.974 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN4C(=O)NC(=O)[C@H]4C3)c2cc1C ZINC000492971210 489840063 /nfs/dbraw/zinc/84/00/63/489840063.db2.gz FKACZRVLBBTXSW-CZUORRHYSA-N 2 2 357.414 0.250 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN4C(=O)NC(=O)[C@H]4C3)c2cc1C ZINC000492971210 489840066 /nfs/dbraw/zinc/84/00/66/489840066.db2.gz FKACZRVLBBTXSW-CZUORRHYSA-N 2 2 357.414 0.250 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN4C(=O)NC(=O)[C@H]4C3)c2cc1C ZINC000492971213 489840387 /nfs/dbraw/zinc/84/03/87/489840387.db2.gz FKACZRVLBBTXSW-XJKSGUPXSA-N 2 2 357.414 0.250 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN4C(=O)NC(=O)[C@H]4C3)c2cc1C ZINC000492971213 489840389 /nfs/dbraw/zinc/84/03/89/489840389.db2.gz FKACZRVLBBTXSW-XJKSGUPXSA-N 2 2 357.414 0.250 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1cccc(F)c1 ZINC000419068592 489843808 /nfs/dbraw/zinc/84/38/08/489843808.db2.gz FSDVPUOAAAHOIY-HNNXBMFYSA-N 2 2 373.432 0.975 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000460079901 489845849 /nfs/dbraw/zinc/84/58/49/489845849.db2.gz PSTXBOYNZQMQJK-JKSUJKDBSA-N 2 2 374.489 0.312 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000460079901 489845853 /nfs/dbraw/zinc/84/58/53/489845853.db2.gz PSTXBOYNZQMQJK-JKSUJKDBSA-N 2 2 374.489 0.312 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000419073193 489846552 /nfs/dbraw/zinc/84/65/52/489846552.db2.gz KUYUGNNAMLIQJD-DOMZBBRYSA-N 2 2 359.405 0.715 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000419073194 489846687 /nfs/dbraw/zinc/84/66/87/489846687.db2.gz KUYUGNNAMLIQJD-IUODEOHRSA-N 2 2 359.405 0.715 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c2)CCO1 ZINC000419081397 489849702 /nfs/dbraw/zinc/84/97/02/489849702.db2.gz YPZQJPCZSURZBF-JKSUJKDBSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c2)CCO1 ZINC000419081397 489849704 /nfs/dbraw/zinc/84/97/04/489849704.db2.gz YPZQJPCZSURZBF-JKSUJKDBSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@@H](C)[NH2+]1 ZINC000419085259 489850168 /nfs/dbraw/zinc/85/01/68/489850168.db2.gz VNGONSVVBRTJKY-XJKCOSOUSA-N 2 2 373.432 0.974 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000377094601 489851131 /nfs/dbraw/zinc/85/11/31/489851131.db2.gz ORGYUAYLZPSZIF-WBVHZDCISA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000377094601 489851135 /nfs/dbraw/zinc/85/11/35/489851135.db2.gz ORGYUAYLZPSZIF-WBVHZDCISA-N 2 2 367.490 0.726 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCNC2=O)cc(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000432776350 489854663 /nfs/dbraw/zinc/85/46/63/489854663.db2.gz NGINPHJKUHBKKF-IAGOWNOFSA-N 2 2 360.458 0.336 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCNC2=O)cc(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000432776350 489854665 /nfs/dbraw/zinc/85/46/65/489854665.db2.gz NGINPHJKUHBKKF-IAGOWNOFSA-N 2 2 360.458 0.336 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419108906 489857611 /nfs/dbraw/zinc/85/76/11/489857611.db2.gz ACICTOSMHHPJBX-WFVVYAPDSA-N 2 2 366.506 0.249 20 0 FCADLP CN(C(=O)c1cc(F)c[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000555922104 491283510 /nfs/dbraw/zinc/28/35/10/491283510.db2.gz NHVNXQIGFSQYBA-UHFFFAOYSA-N 2 2 365.453 0.464 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000460271260 489860472 /nfs/dbraw/zinc/86/04/72/489860472.db2.gz QGTMTWQHRBJRSL-QGZVFWFLSA-N 2 2 355.527 0.376 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000460271260 489860475 /nfs/dbraw/zinc/86/04/75/489860475.db2.gz QGTMTWQHRBJRSL-QGZVFWFLSA-N 2 2 355.527 0.376 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419113489 489861035 /nfs/dbraw/zinc/86/10/35/489861035.db2.gz HAVGLCLMBYGFNL-GOEBONIOSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419113492 489861061 /nfs/dbraw/zinc/86/10/61/489861061.db2.gz HAVGLCLMBYGFNL-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000419115071 489861639 /nfs/dbraw/zinc/86/16/39/489861639.db2.gz JFFGABDQJNMENP-GPANFISMSA-N 2 2 354.495 0.236 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[NH2+]C1 ZINC000419115599 489861838 /nfs/dbraw/zinc/86/18/38/489861838.db2.gz KBUYNKWVUUUFOU-IBGZPJMESA-N 2 2 359.474 0.804 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419117099 489862432 /nfs/dbraw/zinc/86/24/32/489862432.db2.gz LYKTYRTVSMENLT-LPHOPBHVSA-N 2 2 366.506 0.062 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419120105 489864336 /nfs/dbraw/zinc/86/43/36/489864336.db2.gz PRFUWOXNNLOOKK-IRXDYDNUSA-N 2 2 368.522 0.355 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419121727 489866100 /nfs/dbraw/zinc/86/61/00/489866100.db2.gz VGWFGLPQYPUHPO-UHFFFAOYSA-N 2 2 369.469 0.985 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419122389 489866130 /nfs/dbraw/zinc/86/61/30/489866130.db2.gz TXNVTPJCMDWOMM-JYJNAYRXSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000419124612 489867713 /nfs/dbraw/zinc/86/77/13/489867713.db2.gz YAFSLAARQDOKCG-INIZCTEOSA-N 2 2 366.506 0.062 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(=O)N3CCCC3)CC2)CC1 ZINC000571072227 491284493 /nfs/dbraw/zinc/28/44/93/491284493.db2.gz LVANWNDSOWXLRV-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(=O)N3CCCC3)CC2)CC1 ZINC000571072227 491284496 /nfs/dbraw/zinc/28/44/96/491284496.db2.gz LVANWNDSOWXLRV-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419983429 489872870 /nfs/dbraw/zinc/87/28/70/489872870.db2.gz UQRHRNJTABQNNF-UXHZXRBQSA-N 2 2 358.486 0.816 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC000494177348 489873462 /nfs/dbraw/zinc/87/34/62/489873462.db2.gz WNUHMIQQVWCLLD-KRWDZBQOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC000494177348 489873467 /nfs/dbraw/zinc/87/34/67/489873467.db2.gz WNUHMIQQVWCLLD-KRWDZBQOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206681 489875317 /nfs/dbraw/zinc/87/53/17/489875317.db2.gz YTFAQYAMTUXKRA-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206681 489875319 /nfs/dbraw/zinc/87/53/19/489875319.db2.gz YTFAQYAMTUXKRA-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019201 489882327 /nfs/dbraw/zinc/88/23/27/489882327.db2.gz ZXDAUMISLZTCQQ-HYVNUMGLSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019201 489882332 /nfs/dbraw/zinc/88/23/32/489882332.db2.gz ZXDAUMISLZTCQQ-HYVNUMGLSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420024400 489884014 /nfs/dbraw/zinc/88/40/14/489884014.db2.gz YDMYLSSMMYWBNW-FZKCQIBNSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420024400 489884019 /nfs/dbraw/zinc/88/40/19/489884019.db2.gz YDMYLSSMMYWBNW-FZKCQIBNSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420026216 489885247 /nfs/dbraw/zinc/88/52/47/489885247.db2.gz ZXDAUMISLZTCQQ-UAGQMJEPSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420026216 489885249 /nfs/dbraw/zinc/88/52/49/489885249.db2.gz ZXDAUMISLZTCQQ-UAGQMJEPSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000564084178 491288014 /nfs/dbraw/zinc/28/80/14/491288014.db2.gz ITJJYZNNYBCWKK-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000377343905 489889371 /nfs/dbraw/zinc/88/93/71/489889371.db2.gz GCPNVCYNYAHTGJ-HNNXBMFYSA-N 2 2 369.462 0.798 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000377359094 489892164 /nfs/dbraw/zinc/89/21/64/489892164.db2.gz KCOQWGUKRJHQEB-CABCVRRESA-N 2 2 358.446 0.864 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000377359094 489892167 /nfs/dbraw/zinc/89/21/67/489892167.db2.gz KCOQWGUKRJHQEB-CABCVRRESA-N 2 2 358.446 0.864 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000420052873 489895138 /nfs/dbraw/zinc/89/51/38/489895138.db2.gz CZRHTSWPALKRMC-KRWDZBQOSA-N 2 2 360.458 0.063 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420059609 489897822 /nfs/dbraw/zinc/89/78/22/489897822.db2.gz GOECKDNSWGZNEM-CVEARBPZSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420059609 489897824 /nfs/dbraw/zinc/89/78/24/489897824.db2.gz GOECKDNSWGZNEM-CVEARBPZSA-N 2 2 374.489 0.143 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420061420 489898934 /nfs/dbraw/zinc/89/89/34/489898934.db2.gz AWHBAEBHYGJQRN-LZWOXQAQSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420061420 489898936 /nfs/dbraw/zinc/89/89/36/489898936.db2.gz AWHBAEBHYGJQRN-LZWOXQAQSA-N 2 2 354.495 0.188 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000420085124 489906251 /nfs/dbraw/zinc/90/62/51/489906251.db2.gz YZNWHRVQZFOAPG-UHFFFAOYSA-N 2 2 362.478 0.411 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000420091231 489908170 /nfs/dbraw/zinc/90/81/70/489908170.db2.gz MRMHXZXBQOANGK-SFHVURJKSA-N 2 2 366.421 0.981 20 0 FCADLP C[C@](O)(CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1)C[NH+]1CCOCC1 ZINC000434078100 489911960 /nfs/dbraw/zinc/91/19/60/489911960.db2.gz AWHNCKJVGSTPGF-YJBOKZPZSA-N 2 2 365.478 0.323 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]C1 ZINC000420101145 489912017 /nfs/dbraw/zinc/91/20/17/489912017.db2.gz LHWAHBGNMNPFEE-GOSISDBHSA-N 2 2 364.515 0.898 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000494841575 489917073 /nfs/dbraw/zinc/91/70/73/489917073.db2.gz DJXVORHWHLKKNM-UHFFFAOYSA-N 2 2 361.494 0.836 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000494841575 489917075 /nfs/dbraw/zinc/91/70/75/489917075.db2.gz DJXVORHWHLKKNM-UHFFFAOYSA-N 2 2 361.494 0.836 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCN(C)CC[NH+](C)C ZINC000494841575 489917079 /nfs/dbraw/zinc/91/70/79/489917079.db2.gz DJXVORHWHLKKNM-UHFFFAOYSA-N 2 2 361.494 0.836 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000420129352 489922718 /nfs/dbraw/zinc/92/27/18/489922718.db2.gz QMURNCKDWMXABY-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000420129352 489922724 /nfs/dbraw/zinc/92/27/24/489922724.db2.gz QMURNCKDWMXABY-NUJGCVRESA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143291 489928656 /nfs/dbraw/zinc/92/86/56/489928656.db2.gz WYMAXMYXTOMUBW-INIZCTEOSA-N 2 2 356.470 0.755 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420143291 489928664 /nfs/dbraw/zinc/92/86/64/489928664.db2.gz WYMAXMYXTOMUBW-INIZCTEOSA-N 2 2 356.470 0.755 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434465840 489930522 /nfs/dbraw/zinc/93/05/22/489930522.db2.gz SHJLPHLZDOOYTR-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315053 489934577 /nfs/dbraw/zinc/93/45/77/489934577.db2.gz SPXJETVUFKZGMF-DOTOQJQBSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000495315053 489934579 /nfs/dbraw/zinc/93/45/79/489934579.db2.gz SPXJETVUFKZGMF-DOTOQJQBSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000495315053 489934582 /nfs/dbraw/zinc/93/45/82/489934582.db2.gz SPXJETVUFKZGMF-DOTOQJQBSA-N 2 2 366.506 0.333 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000495315053 489934585 /nfs/dbraw/zinc/93/45/85/489934585.db2.gz SPXJETVUFKZGMF-DOTOQJQBSA-N 2 2 366.506 0.333 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420169368 489939204 /nfs/dbraw/zinc/93/92/04/489939204.db2.gz VOKCZHOASQJKBA-UHFFFAOYSA-N 2 2 356.470 0.757 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000420172824 489939668 /nfs/dbraw/zinc/93/96/68/489939668.db2.gz WCTGURWKICPQOI-OWCLPIDISA-N 2 2 366.506 0.060 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C(N)=O)cc3)C2)CC1 ZINC000377678519 489941193 /nfs/dbraw/zinc/94/11/93/489941193.db2.gz MVLVIGYPJDRQLX-MRXNPFEDSA-N 2 2 359.474 0.753 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C(N)=O)cc3)C2)CC1 ZINC000377678519 489941195 /nfs/dbraw/zinc/94/11/95/489941195.db2.gz MVLVIGYPJDRQLX-MRXNPFEDSA-N 2 2 359.474 0.753 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000461868147 489942175 /nfs/dbraw/zinc/94/21/75/489942175.db2.gz ZTZXDZRSKBOMIL-HOCLYGCPSA-N 2 2 359.536 0.875 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cc(=O)n3ccccc3n2)CC1 ZINC000571170897 491290305 /nfs/dbraw/zinc/29/03/05/491290305.db2.gz OGYLORXGVUZWHU-UHFFFAOYSA-N 2 2 372.473 0.520 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000477199744 489949389 /nfs/dbraw/zinc/94/93/89/489949389.db2.gz DHBWDPTWMYDYFA-UHFFFAOYSA-N 2 2 357.462 0.471 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377751504 489953702 /nfs/dbraw/zinc/95/37/02/489953702.db2.gz YQQMKJIMHRDRJZ-RYQLBKOJSA-N 2 2 362.518 0.777 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000420219782 489955352 /nfs/dbraw/zinc/95/53/52/489955352.db2.gz YYIXYQZSVLYBDL-WMZOPIPTSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)nc2)CC1 ZINC000420237980 489956661 /nfs/dbraw/zinc/95/66/61/489956661.db2.gz MVSQYJGXSDQMFA-KGLIPLIRSA-N 2 2 353.492 0.700 20 0 FCADLP COCCOCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564155656 491291329 /nfs/dbraw/zinc/29/13/29/491291329.db2.gz DYSUDZXGEFTBEF-INIZCTEOSA-N 2 2 350.463 0.714 20 0 FCADLP COCCOCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564155656 491291331 /nfs/dbraw/zinc/29/13/31/491291331.db2.gz DYSUDZXGEFTBEF-INIZCTEOSA-N 2 2 350.463 0.714 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000434916944 489966581 /nfs/dbraw/zinc/96/65/81/489966581.db2.gz YKTFIUNQDLHISG-SFHVURJKSA-N 2 2 367.494 0.239 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC000434916944 489966584 /nfs/dbraw/zinc/96/65/84/489966584.db2.gz YKTFIUNQDLHISG-SFHVURJKSA-N 2 2 367.494 0.239 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420355171 489967435 /nfs/dbraw/zinc/96/74/35/489967435.db2.gz DWOOZAINTYISKI-OAHLLOKOSA-N 2 2 354.476 0.770 20 0 FCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000420364654 489967573 /nfs/dbraw/zinc/96/75/73/489967573.db2.gz KJMQGTGVTNEFTP-OZTPJHRESA-N 2 2 354.476 0.637 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420362236 489967791 /nfs/dbraw/zinc/96/77/91/489967791.db2.gz IOSVGWNNNRLTKA-PJIJBLCYSA-N 2 2 362.474 0.880 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000556068522 491291787 /nfs/dbraw/zinc/29/17/87/491291787.db2.gz DSNXSWHPBGBWIX-UHFFFAOYSA-N 2 2 365.478 0.267 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000556068522 491291788 /nfs/dbraw/zinc/29/17/88/491291788.db2.gz DSNXSWHPBGBWIX-UHFFFAOYSA-N 2 2 365.478 0.267 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000420373297 489968208 /nfs/dbraw/zinc/96/82/08/489968208.db2.gz GAEANMIKSNDTRC-CGTJXYLNSA-N 3 2 352.523 0.757 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CCCO1 ZINC000420379033 489969630 /nfs/dbraw/zinc/96/96/30/489969630.db2.gz AFTWAMYVEPTKAG-OAHLLOKOSA-N 2 2 357.401 0.996 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CCCO1 ZINC000420379033 489969632 /nfs/dbraw/zinc/96/96/32/489969632.db2.gz AFTWAMYVEPTKAG-OAHLLOKOSA-N 2 2 357.401 0.996 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420383469 489969788 /nfs/dbraw/zinc/96/97/88/489969788.db2.gz QPYKCDHKYLZTHV-CABCVRRESA-N 2 2 362.474 0.975 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420383469 489969789 /nfs/dbraw/zinc/96/97/89/489969789.db2.gz QPYKCDHKYLZTHV-CABCVRRESA-N 2 2 362.474 0.975 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420379679 489969837 /nfs/dbraw/zinc/96/98/37/489969837.db2.gz NFUOGRBVLVCSKV-CQSZACIVSA-N 2 2 372.429 0.799 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420379679 489969838 /nfs/dbraw/zinc/96/98/38/489969838.db2.gz NFUOGRBVLVCSKV-CQSZACIVSA-N 2 2 372.429 0.799 20 0 FCADLP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420397712 489971637 /nfs/dbraw/zinc/97/16/37/489971637.db2.gz XXVMPTHDKVDQAF-UKRRQHHQSA-N 2 2 351.447 0.758 20 0 FCADLP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420397712 489971642 /nfs/dbraw/zinc/97/16/42/489971642.db2.gz XXVMPTHDKVDQAF-UKRRQHHQSA-N 2 2 351.447 0.758 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nc(N)nc(N(C)C)n3)C2)CC1 ZINC000377886447 489972654 /nfs/dbraw/zinc/97/26/54/489972654.db2.gz CBUGQWFAQJEJDF-CABCVRRESA-N 2 2 362.526 0.681 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462397923 489973175 /nfs/dbraw/zinc/97/31/75/489973175.db2.gz WKMGEFMFLOANOC-BLLLJJGKSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462397923 489973178 /nfs/dbraw/zinc/97/31/78/489973178.db2.gz WKMGEFMFLOANOC-BLLLJJGKSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462392655 489973302 /nfs/dbraw/zinc/97/33/02/489973302.db2.gz GCUSUKYIILMIIC-BLLLJJGKSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462392655 489973303 /nfs/dbraw/zinc/97/33/03/489973303.db2.gz GCUSUKYIILMIIC-BLLLJJGKSA-N 2 2 352.460 0.346 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCNC(=O)c3cnccn3)c2cc1C ZINC000571197859 491292125 /nfs/dbraw/zinc/29/21/25/491292125.db2.gz AAZZRSQVPRMDDL-OAHLLOKOSA-N 2 2 368.441 0.824 20 0 FCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000462406577 489973753 /nfs/dbraw/zinc/97/37/53/489973753.db2.gz AJCBGUPLQWBCIT-HXUWFJFHSA-N 2 2 356.470 0.880 20 0 FCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000462406577 489973755 /nfs/dbraw/zinc/97/37/55/489973755.db2.gz AJCBGUPLQWBCIT-HXUWFJFHSA-N 2 2 356.470 0.880 20 0 FCADLP CSC1(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC[NH+](C)CC1 ZINC000462503595 489979409 /nfs/dbraw/zinc/97/94/09/489979409.db2.gz KYOTUFNOPVINKE-UHFFFAOYSA-N 2 2 371.551 0.405 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000556084765 491293535 /nfs/dbraw/zinc/29/35/35/491293535.db2.gz LYQWBIIYJIYVNQ-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000556084262 491293061 /nfs/dbraw/zinc/29/30/61/491293061.db2.gz VGWNSOUHUBYSCG-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000556084262 491293062 /nfs/dbraw/zinc/29/30/62/491293062.db2.gz VGWNSOUHUBYSCG-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000556084765 491293536 /nfs/dbraw/zinc/29/35/36/491293536.db2.gz LYQWBIIYJIYVNQ-IRXDYDNUSA-N 2 2 368.522 0.308 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)Cn1ccccc1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435560807 490005647 /nfs/dbraw/zinc/00/56/47/490005647.db2.gz OXDSMYKPUOPFBE-HNNXBMFYSA-N 2 2 355.442 0.753 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478215494 490010256 /nfs/dbraw/zinc/01/02/56/490010256.db2.gz ZXEBPJVHPXVRDR-RCCFBDPRSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478215494 490010259 /nfs/dbraw/zinc/01/02/59/490010259.db2.gz ZXEBPJVHPXVRDR-RCCFBDPRSA-N 2 2 370.538 0.830 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000438313258 490033480 /nfs/dbraw/zinc/03/34/80/490033480.db2.gz LXABBPUKHLWLGN-HOTGVXAUSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000438313258 490033481 /nfs/dbraw/zinc/03/34/81/490033481.db2.gz LXABBPUKHLWLGN-HOTGVXAUSA-N 2 2 362.478 0.964 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000421134123 490049046 /nfs/dbraw/zinc/04/90/46/490049046.db2.gz XCLSYBXILRPXSX-XHSDSOJGSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000421134123 490049054 /nfs/dbraw/zinc/04/90/54/490049054.db2.gz XCLSYBXILRPXSX-XHSDSOJGSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000421134123 490049055 /nfs/dbraw/zinc/04/90/55/490049055.db2.gz XCLSYBXILRPXSX-XHSDSOJGSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000421134123 490049061 /nfs/dbraw/zinc/04/90/61/490049061.db2.gz XCLSYBXILRPXSX-XHSDSOJGSA-N 2 2 368.522 0.543 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000478900778 490051225 /nfs/dbraw/zinc/05/12/25/490051225.db2.gz JOJLEBXHGKAGES-AWEZNQCLSA-N 2 2 362.499 0.575 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000478900778 490051228 /nfs/dbraw/zinc/05/12/28/490051228.db2.gz JOJLEBXHGKAGES-AWEZNQCLSA-N 2 2 362.499 0.575 20 0 FCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000478900778 490051233 /nfs/dbraw/zinc/05/12/33/490051233.db2.gz JOJLEBXHGKAGES-AWEZNQCLSA-N 2 2 362.499 0.575 20 0 FCADLP O=C(NCC[NH+]1CCc2sccc2C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000478900778 490051236 /nfs/dbraw/zinc/05/12/36/490051236.db2.gz JOJLEBXHGKAGES-AWEZNQCLSA-N 2 2 362.499 0.575 20 0 FCADLP C[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[NH+]1CCSCC1 ZINC000478920874 490054384 /nfs/dbraw/zinc/05/43/84/490054384.db2.gz DXNXEVJJNDKQEB-HOTGVXAUSA-N 2 2 357.520 0.373 20 0 FCADLP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423304 490062612 /nfs/dbraw/zinc/06/26/12/490062612.db2.gz BIGHYYFLLKBEJF-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443055356 490064868 /nfs/dbraw/zinc/06/48/68/490064868.db2.gz BGNKGWSGTIENLV-NSHDSACASA-N 2 2 374.894 0.987 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443055356 490064873 /nfs/dbraw/zinc/06/48/73/490064873.db2.gz BGNKGWSGTIENLV-NSHDSACASA-N 2 2 374.894 0.987 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519794971 490085688 /nfs/dbraw/zinc/08/56/88/490085688.db2.gz XBSJEBRKHFJXQR-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519794971 490085693 /nfs/dbraw/zinc/08/56/93/490085693.db2.gz XBSJEBRKHFJXQR-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1[NH+](C)C ZINC000465285644 490099831 /nfs/dbraw/zinc/09/98/31/490099831.db2.gz ODIHAKWFWIFXBX-JKSUJKDBSA-N 2 2 361.494 0.190 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)C2)nn1 ZINC000571299827 491299110 /nfs/dbraw/zinc/29/91/10/491299110.db2.gz ZVIVKWFXAQMVAE-AWEZNQCLSA-N 2 2 368.401 0.187 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000444655258 490101342 /nfs/dbraw/zinc/10/13/42/490101342.db2.gz SONXUUBGPJLECE-MOPGFXCFSA-N 2 2 374.529 0.890 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000506566376 490104729 /nfs/dbraw/zinc/10/47/29/490104729.db2.gz XWQLNKVIJKKAGN-GOEBONIOSA-N 2 2 359.536 0.684 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000564311933 491299736 /nfs/dbraw/zinc/29/97/36/491299736.db2.gz QJFBTGNBAHVRSY-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3C[C@@H](O)[C@H](O)C3)CC2)cc1 ZINC000444705207 490109136 /nfs/dbraw/zinc/10/91/36/490109136.db2.gz MILAGAVDXKUHRB-RTBURBONSA-N 2 2 361.486 0.492 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000479915104 490136137 /nfs/dbraw/zinc/13/61/37/490136137.db2.gz JTJSCUIGPOENRG-CABCVRRESA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000479915104 490136148 /nfs/dbraw/zinc/13/61/48/490136148.db2.gz JTJSCUIGPOENRG-CABCVRRESA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000479976427 490143056 /nfs/dbraw/zinc/14/30/56/490143056.db2.gz FCVLFXXCEWFSFB-HOTGVXAUSA-N 2 2 370.538 0.648 20 0 FCADLP COCCOC[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000465819447 490143895 /nfs/dbraw/zinc/14/38/95/490143895.db2.gz QUJHKCMTGABGFV-HNNXBMFYSA-N 2 2 356.511 0.896 20 0 FCADLP Cc1[nH]nc2ncc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc12 ZINC000532932932 490143984 /nfs/dbraw/zinc/14/39/84/490143984.db2.gz KBPZEVQCPXWMOD-HNNXBMFYSA-N 2 2 358.446 0.289 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000480060554 490156459 /nfs/dbraw/zinc/15/64/59/490156459.db2.gz ABNLHCAZXKCIHS-HNNXBMFYSA-N 2 2 354.495 0.188 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)NCc2cccs2)CC1 ZINC000497398073 490157346 /nfs/dbraw/zinc/15/73/46/490157346.db2.gz XZTBCRCSEAUGOQ-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)NCc2cccs2)CC1 ZINC000497398073 490157353 /nfs/dbraw/zinc/15/73/53/490157353.db2.gz XZTBCRCSEAUGOQ-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP Cn1cccc1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000556209820 491303568 /nfs/dbraw/zinc/30/35/68/491303568.db2.gz ZCAGOFZZYXVKIN-UHFFFAOYSA-N 2 2 361.490 0.316 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000497510371 490170331 /nfs/dbraw/zinc/17/03/31/490170331.db2.gz ZGRVUDBRCDFYAJ-DZKIICNBSA-N 2 2 354.401 0.808 20 0 FCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000497510371 490170335 /nfs/dbraw/zinc/17/03/35/490170335.db2.gz ZGRVUDBRCDFYAJ-DZKIICNBSA-N 2 2 354.401 0.808 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000520660824 490175192 /nfs/dbraw/zinc/17/51/92/490175192.db2.gz PVOLIORQIHYTFD-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CCOC(=O)CNC(=O)[C@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000497556165 490175700 /nfs/dbraw/zinc/17/57/00/490175700.db2.gz IOTZTEXBMNURHO-OAHLLOKOSA-N 2 2 352.435 0.352 20 0 FCADLP CCOC(=O)CNC(=O)[C@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000497556165 490175706 /nfs/dbraw/zinc/17/57/06/490175706.db2.gz IOTZTEXBMNURHO-OAHLLOKOSA-N 2 2 352.435 0.352 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000556253990 491305970 /nfs/dbraw/zinc/30/59/70/491305970.db2.gz SPDGMDZTIIZXKG-QGZVFWFLSA-N 2 2 373.501 0.965 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000556253990 491305971 /nfs/dbraw/zinc/30/59/71/491305971.db2.gz SPDGMDZTIIZXKG-QGZVFWFLSA-N 2 2 373.501 0.965 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839755 490195814 /nfs/dbraw/zinc/19/58/14/490195814.db2.gz RGCGDKBKJUILMG-GDBMZVCRSA-N 2 2 352.479 0.086 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCCOC3CCCCC3)CCN2C1=O ZINC000520839755 490195820 /nfs/dbraw/zinc/19/58/20/490195820.db2.gz RGCGDKBKJUILMG-GDBMZVCRSA-N 2 2 352.479 0.086 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564440480 491306835 /nfs/dbraw/zinc/30/68/35/491306835.db2.gz KXLNZFBKPAFGFG-ZBFHGGJFSA-N 2 2 364.515 0.978 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000660192869 493333529 /nfs/dbraw/zinc/33/35/29/493333529.db2.gz RZVLLSXNKWCVRG-KRWDZBQOSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCCO1 ZINC000507380265 490208545 /nfs/dbraw/zinc/20/85/45/490208545.db2.gz KTMFYDIFRLLIMZ-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC[C@H]1CCCCO1 ZINC000507380265 490208551 /nfs/dbraw/zinc/20/85/51/490208551.db2.gz KTMFYDIFRLLIMZ-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@@H]1C ZINC000447254529 490211062 /nfs/dbraw/zinc/21/10/62/490211062.db2.gz BTXPRFNJDMQOHA-QUSNUVHPSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@@H]1C ZINC000447254529 490211066 /nfs/dbraw/zinc/21/10/66/490211066.db2.gz BTXPRFNJDMQOHA-QUSNUVHPSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@@H]1C ZINC000447254529 490211071 /nfs/dbraw/zinc/21/10/71/490211071.db2.gz BTXPRFNJDMQOHA-QUSNUVHPSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@@H](C)C2)C[C@@H]1C ZINC000447254529 490211073 /nfs/dbraw/zinc/21/10/73/490211073.db2.gz BTXPRFNJDMQOHA-QUSNUVHPSA-N 2 2 370.490 0.609 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@]1(CO)CCOC1 ZINC000546602155 490221723 /nfs/dbraw/zinc/22/17/23/490221723.db2.gz NRKWQJNWFILFRB-QGZVFWFLSA-N 2 2 353.488 0.476 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@]1(CO)CCOC1 ZINC000546602155 490221725 /nfs/dbraw/zinc/22/17/25/490221725.db2.gz NRKWQJNWFILFRB-QGZVFWFLSA-N 2 2 353.488 0.476 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201652 490236241 /nfs/dbraw/zinc/23/62/41/490236241.db2.gz NQGCWUWDMRCZMF-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201652 490236246 /nfs/dbraw/zinc/23/62/46/490236246.db2.gz NQGCWUWDMRCZMF-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000546732883 490239443 /nfs/dbraw/zinc/23/94/43/490239443.db2.gz IKMRDBMDVVJPEO-GOSISDBHSA-N 2 2 368.570 0.339 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000546732883 490239451 /nfs/dbraw/zinc/23/94/51/490239451.db2.gz IKMRDBMDVVJPEO-GOSISDBHSA-N 2 2 368.570 0.339 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000556354908 491310804 /nfs/dbraw/zinc/31/08/04/491310804.db2.gz MVTVNHMMLYPDHX-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000556354908 491310806 /nfs/dbraw/zinc/31/08/06/491310806.db2.gz MVTVNHMMLYPDHX-ZACQAIPSSA-N 2 2 368.522 0.402 20 0 FCADLP CN(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000521411036 490257813 /nfs/dbraw/zinc/25/78/13/490257813.db2.gz VSFMDCVDZCBUPH-QGZVFWFLSA-N 2 2 365.522 0.714 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508719 491312412 /nfs/dbraw/zinc/31/24/12/491312412.db2.gz FHLVWUCSPGYVBV-SJORKVTESA-N 2 2 370.457 0.494 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508719 491312413 /nfs/dbraw/zinc/31/24/13/491312413.db2.gz FHLVWUCSPGYVBV-SJORKVTESA-N 2 2 370.457 0.494 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508715 491312612 /nfs/dbraw/zinc/31/26/12/491312612.db2.gz FHLVWUCSPGYVBV-IAGOWNOFSA-N 2 2 370.457 0.494 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)nn1 ZINC000571508715 491312614 /nfs/dbraw/zinc/31/26/14/491312614.db2.gz FHLVWUCSPGYVBV-IAGOWNOFSA-N 2 2 370.457 0.494 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@](C)(O)C1 ZINC000483048726 490276123 /nfs/dbraw/zinc/27/61/23/490276123.db2.gz NHKBJUKPIQONMZ-JXFKEZNVSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@](C)(O)C1 ZINC000483048726 490276125 /nfs/dbraw/zinc/27/61/25/490276125.db2.gz NHKBJUKPIQONMZ-JXFKEZNVSA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000483069944 490279087 /nfs/dbraw/zinc/27/90/87/490279087.db2.gz BOYXRAYBTWSHSX-UHFFFAOYSA-N 2 2 361.486 0.970 20 0 FCADLP CC[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000483069944 490279096 /nfs/dbraw/zinc/27/90/96/490279096.db2.gz BOYXRAYBTWSHSX-UHFFFAOYSA-N 2 2 361.486 0.970 20 0 FCADLP CNC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000547344113 490280527 /nfs/dbraw/zinc/28/05/27/490280527.db2.gz SJWXVGLAAHAMDY-HNNXBMFYSA-N 2 2 366.510 0.258 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368243 490282977 /nfs/dbraw/zinc/28/29/77/490282977.db2.gz UOBBUFZKKFVLGO-HZPDHXFCSA-N 2 2 359.474 0.718 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368243 490282980 /nfs/dbraw/zinc/28/29/80/490282980.db2.gz UOBBUFZKKFVLGO-HZPDHXFCSA-N 2 2 359.474 0.718 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447902254 490286703 /nfs/dbraw/zinc/28/67/03/490286703.db2.gz JJKYIDYFOCBWRY-ROUUACIJSA-N 2 2 363.458 0.587 20 0 FCADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181499 490290162 /nfs/dbraw/zinc/29/01/62/490290162.db2.gz JTPRJNCNKKHZSX-HOCLYGCPSA-N 2 2 355.442 0.988 20 0 FCADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000483181499 490290166 /nfs/dbraw/zinc/29/01/66/490290166.db2.gz JTPRJNCNKKHZSX-HOCLYGCPSA-N 2 2 355.442 0.988 20 0 FCADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc(Cl)c1OCC(N)=O ZINC000521814751 490299931 /nfs/dbraw/zinc/29/99/31/490299931.db2.gz WWMNXJORKGJJLU-ZDUSSCGKSA-N 2 2 371.865 0.759 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000521849350 490303409 /nfs/dbraw/zinc/30/34/09/490303409.db2.gz GDJHMQRDGRAZKI-UHFFFAOYSA-N 2 2 362.478 0.735 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1c[nH+]c2cc(C)ccn12 ZINC000467521317 490305961 /nfs/dbraw/zinc/30/59/61/490305961.db2.gz PRQBKLNCHYNSGH-UHFFFAOYSA-N 2 2 359.474 0.865 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1c[nH+]c2c(C)cccn12 ZINC000467516673 490305992 /nfs/dbraw/zinc/30/59/92/490305992.db2.gz NXQPJJQKXNMHHS-UHFFFAOYSA-N 2 2 359.474 0.865 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC000521994890 490322481 /nfs/dbraw/zinc/32/24/81/490322481.db2.gz ITZMXVAHIJEGSE-JTDSTZFVSA-N 2 2 363.502 0.991 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC000521994890 490322486 /nfs/dbraw/zinc/32/24/86/490322486.db2.gz ITZMXVAHIJEGSE-JTDSTZFVSA-N 2 2 363.502 0.991 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467701782 490331774 /nfs/dbraw/zinc/33/17/74/490331774.db2.gz YSRFZAJJDFLNGL-XVLXNVKGSA-N 2 2 371.481 0.818 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467701782 490331781 /nfs/dbraw/zinc/33/17/81/490331781.db2.gz YSRFZAJJDFLNGL-XVLXNVKGSA-N 2 2 371.481 0.818 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000564655701 491318177 /nfs/dbraw/zinc/31/81/77/491318177.db2.gz KMJBBIYCLJIIEK-QZTJIDSGSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000564655701 491318179 /nfs/dbraw/zinc/31/81/79/491318179.db2.gz KMJBBIYCLJIIEK-QZTJIDSGSA-N 2 2 358.486 0.569 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000448474338 490352972 /nfs/dbraw/zinc/35/29/72/490352972.db2.gz VUVRFKUVPZOTMW-INIZCTEOSA-N 2 2 367.538 0.946 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000448474338 490352981 /nfs/dbraw/zinc/35/29/81/490352981.db2.gz VUVRFKUVPZOTMW-INIZCTEOSA-N 2 2 367.538 0.946 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1CCOC ZINC000498851874 490352909 /nfs/dbraw/zinc/35/29/09/490352909.db2.gz GKRZFYIDNQUGAB-QGZVFWFLSA-N 2 2 366.506 0.324 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1CCOC ZINC000498851874 490352916 /nfs/dbraw/zinc/35/29/16/490352916.db2.gz GKRZFYIDNQUGAB-QGZVFWFLSA-N 2 2 366.506 0.324 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1CCOC ZINC000498851874 490352922 /nfs/dbraw/zinc/35/29/22/490352922.db2.gz GKRZFYIDNQUGAB-QGZVFWFLSA-N 2 2 366.506 0.324 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1CCOC ZINC000498851874 490352929 /nfs/dbraw/zinc/35/29/29/490352929.db2.gz GKRZFYIDNQUGAB-QGZVFWFLSA-N 2 2 366.506 0.324 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000498860066 490356319 /nfs/dbraw/zinc/35/63/19/490356319.db2.gz OPIGARPCRGZHFE-UHFFFAOYSA-N 2 2 366.506 0.324 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000498860066 490356325 /nfs/dbraw/zinc/35/63/25/490356325.db2.gz OPIGARPCRGZHFE-UHFFFAOYSA-N 2 2 366.506 0.324 20 0 FCADLP O=C(C[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1)N1CCCC1 ZINC000498886772 490361012 /nfs/dbraw/zinc/36/10/12/490361012.db2.gz CBKDBWWGVINGKL-UHFFFAOYSA-N 2 2 360.462 0.058 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000498912636 490364574 /nfs/dbraw/zinc/36/45/74/490364574.db2.gz TUARZCXHWLBGBJ-UHFFFAOYSA-N 2 2 360.502 0.658 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000498912636 490364579 /nfs/dbraw/zinc/36/45/79/490364579.db2.gz TUARZCXHWLBGBJ-UHFFFAOYSA-N 2 2 360.502 0.658 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)cc[nH+]1 ZINC000498938362 490367968 /nfs/dbraw/zinc/36/79/68/490367968.db2.gz CZDXJVNFWBKFFF-UHFFFAOYSA-N 2 2 372.473 0.202 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)CC2)cc[nH+]1 ZINC000498938362 490367974 /nfs/dbraw/zinc/36/79/74/490367974.db2.gz CZDXJVNFWBKFFF-UHFFFAOYSA-N 2 2 372.473 0.202 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1C[NH+](C)C ZINC000411131945 490390550 /nfs/dbraw/zinc/39/05/50/490390550.db2.gz JYEZZWBSWNOHEN-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP COC(=O)CN1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509133892 490392515 /nfs/dbraw/zinc/39/25/15/490392515.db2.gz BXAILTXATIYQCH-UHFFFAOYSA-N 2 2 360.502 0.989 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000411136196 490393226 /nfs/dbraw/zinc/39/32/26/490393226.db2.gz IXBZNNCXZJEQLH-OKILXGFUSA-N 2 2 359.430 0.888 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000411136196 490393229 /nfs/dbraw/zinc/39/32/29/490393229.db2.gz IXBZNNCXZJEQLH-OKILXGFUSA-N 2 2 359.430 0.888 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000484196920 490395363 /nfs/dbraw/zinc/39/53/63/490395363.db2.gz CKCONRADCCSHNY-LSDHHAIUSA-N 2 2 362.478 0.043 20 0 FCADLP CC[C@@]1(O)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000547972100 490398180 /nfs/dbraw/zinc/39/81/80/490398180.db2.gz ADOATAFTLCPGEU-LJQANCHMSA-N 2 2 353.507 0.985 20 0 FCADLP CC[C@@]1(O)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000547972100 490398187 /nfs/dbraw/zinc/39/81/87/490398187.db2.gz ADOATAFTLCPGEU-LJQANCHMSA-N 2 2 353.507 0.985 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000534718401 490402045 /nfs/dbraw/zinc/40/20/45/490402045.db2.gz XBBBMXCZJFNJDK-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000484284881 490407637 /nfs/dbraw/zinc/40/76/37/490407637.db2.gz QBWDTPLKBTWINZ-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000556641693 491324839 /nfs/dbraw/zinc/32/48/39/491324839.db2.gz PSWJOGZAKAWFNP-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000556641693 491324841 /nfs/dbraw/zinc/32/48/41/491324841.db2.gz PSWJOGZAKAWFNP-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000548076797 490416725 /nfs/dbraw/zinc/41/67/25/490416725.db2.gz JIMMYKBHVRBDLJ-QGZVFWFLSA-N 2 2 367.515 0.866 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000548076797 490416728 /nfs/dbraw/zinc/41/67/28/490416728.db2.gz JIMMYKBHVRBDLJ-QGZVFWFLSA-N 2 2 367.515 0.866 20 0 FCADLP O=C(CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCC[NH+]1CCOCC1 ZINC000449822055 490430672 /nfs/dbraw/zinc/43/06/72/490430672.db2.gz UDVHKUWGVLDFLF-QGZVFWFLSA-N 2 2 366.506 0.348 20 0 FCADLP O=C(CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCC[NH+]1CCOCC1 ZINC000449822055 490430679 /nfs/dbraw/zinc/43/06/79/490430679.db2.gz UDVHKUWGVLDFLF-QGZVFWFLSA-N 2 2 366.506 0.348 20 0 FCADLP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000548176473 490431359 /nfs/dbraw/zinc/43/13/59/490431359.db2.gz ARNWNOJSPVWABS-UHFFFAOYSA-N 2 2 367.456 0.873 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H]2CC(C)C[C@@H]2C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000548162150 490431387 /nfs/dbraw/zinc/43/13/87/490431387.db2.gz KJELOJSCDQRRFU-ROUUACIJSA-N 2 2 364.534 0.977 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000571746940 491326605 /nfs/dbraw/zinc/32/66/05/491326605.db2.gz XYVDEEWDNXVJDM-AWEZNQCLSA-N 2 2 350.488 0.508 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000535049691 490444670 /nfs/dbraw/zinc/44/46/70/490444670.db2.gz HKHJCCCTQQXYQB-UHFFFAOYSA-N 2 2 354.476 0.985 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000548281105 490456791 /nfs/dbraw/zinc/45/67/91/490456791.db2.gz NDLFCAGHMIBBHX-INIZCTEOSA-N 2 2 369.473 0.844 20 0 FCADLP O=C(C[NH+]1CCC(OCCO)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000535246797 490468213 /nfs/dbraw/zinc/46/82/13/490468213.db2.gz NZIBPZMWVIWJLZ-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000523660216 490481891 /nfs/dbraw/zinc/48/18/91/490481891.db2.gz JEJAXYKKMBIPNI-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000523660216 490481898 /nfs/dbraw/zinc/48/18/98/490481898.db2.gz JEJAXYKKMBIPNI-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422871658 490489180 /nfs/dbraw/zinc/48/91/80/490489180.db2.gz ZKGCGXHRQSFZDR-HZPDHXFCSA-N 2 2 359.474 0.754 20 0 FCADLP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000535470920 490492820 /nfs/dbraw/zinc/49/28/20/490492820.db2.gz YYYBWQXMOYHDKB-KXBFYZLASA-N 2 2 369.506 0.925 20 0 FCADLP O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000500290113 490500362 /nfs/dbraw/zinc/50/03/62/490500362.db2.gz STHSGWQQLSKLAN-CQSZACIVSA-N 2 2 360.414 0.696 20 0 FCADLP CC(C)[C@H](C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856167 491331909 /nfs/dbraw/zinc/33/19/09/491331909.db2.gz VZHFUDKWIZBNJJ-MKXGPGLRSA-N 3 2 356.555 0.318 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@H+](C)C1 ZINC000413899458 490508008 /nfs/dbraw/zinc/50/80/08/490508008.db2.gz YDKIBRCOFXWGBZ-ZDUSSCGKSA-N 2 2 350.419 0.447 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@@H+](C)C1 ZINC000413899458 490508012 /nfs/dbraw/zinc/50/80/12/490508012.db2.gz YDKIBRCOFXWGBZ-ZDUSSCGKSA-N 2 2 350.419 0.447 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000510332708 490508138 /nfs/dbraw/zinc/50/81/38/490508138.db2.gz KOESEXZLMMCBTR-PBHICJAKSA-N 2 2 351.451 0.254 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000423013213 490519260 /nfs/dbraw/zinc/51/92/60/490519260.db2.gz FKSHCDALRWGNDH-HUUCEWRRSA-N 2 2 364.515 0.836 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H](C)[NH2+]1 ZINC000423019239 490521703 /nfs/dbraw/zinc/52/17/03/490521703.db2.gz UUVMWQAEFYZSQO-KBPBESRZSA-N 2 2 350.488 0.601 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000423027400 490523062 /nfs/dbraw/zinc/52/30/62/490523062.db2.gz DGRPWLPYOMJEBZ-OAHLLOKOSA-N 2 2 374.489 0.364 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423032844 490525030 /nfs/dbraw/zinc/52/50/30/490525030.db2.gz YUDQNMUCAWMCMN-MRXNPFEDSA-N 2 2 360.458 0.159 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423049505 490530863 /nfs/dbraw/zinc/53/08/63/490530863.db2.gz JWFYMULDDHHKII-QGZVFWFLSA-N 2 2 362.449 0.680 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423049505 490530868 /nfs/dbraw/zinc/53/08/68/490530868.db2.gz JWFYMULDDHHKII-QGZVFWFLSA-N 2 2 362.449 0.680 20 0 FCADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000414073441 490536598 /nfs/dbraw/zinc/53/65/98/490536598.db2.gz GASNGMVPMXIHLR-DOTOQJQBSA-N 2 2 362.474 0.544 20 0 FCADLP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000571875536 491334422 /nfs/dbraw/zinc/33/44/22/491334422.db2.gz RMEBMALGEGFCDD-CABCVRRESA-N 2 2 353.463 0.279 20 0 FCADLP COc1cccc(OC)c1OC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000571875537 491334576 /nfs/dbraw/zinc/33/45/76/491334576.db2.gz RMEBMALGEGFCDD-GJZGRUSLSA-N 2 2 353.463 0.279 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)[C@@H]1CCNC1=O ZINC000536181472 490559616 /nfs/dbraw/zinc/55/96/16/490559616.db2.gz YOFNPBBJTRSMNZ-CRAIPNDOSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000536181472 490559618 /nfs/dbraw/zinc/55/96/18/490559618.db2.gz YOFNPBBJTRSMNZ-CRAIPNDOSA-N 2 2 374.485 0.344 20 0 FCADLP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486014817 490584462 /nfs/dbraw/zinc/58/44/62/490584462.db2.gz HPISADSFJFKGLH-INIZCTEOSA-N 2 2 361.442 0.635 20 0 FCADLP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486014817 490584467 /nfs/dbraw/zinc/58/44/67/490584467.db2.gz HPISADSFJFKGLH-INIZCTEOSA-N 2 2 361.442 0.635 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051612 490587607 /nfs/dbraw/zinc/58/76/07/490587607.db2.gz HSIMXKWTBNOMGF-HOTGVXAUSA-N 2 2 359.474 0.434 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051612 490587612 /nfs/dbraw/zinc/58/76/12/490587612.db2.gz HSIMXKWTBNOMGF-HOTGVXAUSA-N 2 2 359.474 0.434 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000486058204 490587778 /nfs/dbraw/zinc/58/77/78/490587778.db2.gz ZXGPTIBFWOSONJ-AWEZNQCLSA-N 2 2 358.471 0.996 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000486058204 490587782 /nfs/dbraw/zinc/58/77/82/490587782.db2.gz ZXGPTIBFWOSONJ-AWEZNQCLSA-N 2 2 358.471 0.996 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@](C)(F)C2)CC1 ZINC000501427320 490603354 /nfs/dbraw/zinc/60/33/54/490603354.db2.gz VJNUWHHGOGXQPT-KRWDZBQOSA-N 2 2 361.425 0.446 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000501427320 490603362 /nfs/dbraw/zinc/60/33/62/490603362.db2.gz VJNUWHHGOGXQPT-KRWDZBQOSA-N 2 2 361.425 0.446 20 0 FCADLP CC(C)OC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000501424057 490603591 /nfs/dbraw/zinc/60/35/91/490603591.db2.gz MTDHERCNUBKQKR-MRXNPFEDSA-N 2 2 370.519 0.937 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@](C)(F)C2)CC1 ZINC000501427335 490603726 /nfs/dbraw/zinc/60/37/26/490603726.db2.gz VJNUWHHGOGXQPT-QGZVFWFLSA-N 2 2 361.425 0.446 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000501427335 490603729 /nfs/dbraw/zinc/60/37/29/490603729.db2.gz VJNUWHHGOGXQPT-QGZVFWFLSA-N 2 2 361.425 0.446 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501496198 490608128 /nfs/dbraw/zinc/60/81/28/490608128.db2.gz LYVCOINXCPODRB-KGLIPLIRSA-N 2 2 363.549 0.001 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501496198 490608132 /nfs/dbraw/zinc/60/81/32/490608132.db2.gz LYVCOINXCPODRB-KGLIPLIRSA-N 2 2 363.549 0.001 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000549999539 490619717 /nfs/dbraw/zinc/61/97/17/490619717.db2.gz AZGDGOJDUWJTSJ-AWEZNQCLSA-N 2 2 368.503 0.258 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1cccc2nsnc21 ZINC000486438680 490624450 /nfs/dbraw/zinc/62/44/50/490624450.db2.gz PUILLRLIHZMWMA-LBPRGKRZSA-N 2 2 374.470 0.526 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1cccc2nsnc21 ZINC000486438680 490624458 /nfs/dbraw/zinc/62/44/58/490624458.db2.gz PUILLRLIHZMWMA-LBPRGKRZSA-N 2 2 374.470 0.526 20 0 FCADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486441257 490626366 /nfs/dbraw/zinc/62/63/66/490626366.db2.gz ZBUCFYZNXSGQLO-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486441257 490626369 /nfs/dbraw/zinc/62/63/69/490626369.db2.gz ZBUCFYZNXSGQLO-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCC1CCCCC1 ZINC000486446889 490626399 /nfs/dbraw/zinc/62/63/99/490626399.db2.gz DGRIAJQDJUPMMU-QGZVFWFLSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCC1CCCCC1 ZINC000486446889 490626404 /nfs/dbraw/zinc/62/64/04/490626404.db2.gz DGRIAJQDJUPMMU-QGZVFWFLSA-N 2 2 350.507 0.969 20 0 FCADLP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448247 490628575 /nfs/dbraw/zinc/62/85/75/490628575.db2.gz QVPGOGHTSIVSFF-ZIAGYGMSSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486448247 490628584 /nfs/dbraw/zinc/62/85/84/490628584.db2.gz QVPGOGHTSIVSFF-ZIAGYGMSSA-N 2 2 350.488 0.649 20 0 FCADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459300 490632758 /nfs/dbraw/zinc/63/27/58/490632758.db2.gz KSJSXMUGAHMBAY-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459300 490632765 /nfs/dbraw/zinc/63/27/65/490632765.db2.gz KSJSXMUGAHMBAY-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486461469 490633913 /nfs/dbraw/zinc/63/39/13/490633913.db2.gz ZZGSXQOHXYXNEK-NVXWUHKLSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486461469 490633920 /nfs/dbraw/zinc/63/39/20/490633920.db2.gz ZZGSXQOHXYXNEK-NVXWUHKLSA-N 2 2 350.507 0.968 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486463678 490634597 /nfs/dbraw/zinc/63/45/97/490634597.db2.gz SBZRWMVJTRKIRY-INIZCTEOSA-N 2 2 354.495 0.062 20 0 FCADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486463678 490634601 /nfs/dbraw/zinc/63/46/01/490634601.db2.gz SBZRWMVJTRKIRY-INIZCTEOSA-N 2 2 354.495 0.062 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486468924 490635086 /nfs/dbraw/zinc/63/50/86/490635086.db2.gz NLRQWYFEFTZHGL-OFLPRAFFSA-N 2 2 350.507 0.920 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000486468924 490635089 /nfs/dbraw/zinc/63/50/89/490635089.db2.gz NLRQWYFEFTZHGL-OFLPRAFFSA-N 2 2 350.507 0.920 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCC1CCCCC1 ZINC000486462925 490635126 /nfs/dbraw/zinc/63/51/26/490635126.db2.gz RGUNRCJSORTKCE-QGZVFWFLSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCC1CCCCC1 ZINC000486462925 490635133 /nfs/dbraw/zinc/63/51/33/490635133.db2.gz RGUNRCJSORTKCE-QGZVFWFLSA-N 2 2 350.507 0.969 20 0 FCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486462888 490635182 /nfs/dbraw/zinc/63/51/82/490635182.db2.gz QZSUBJROTLDYFM-IKGGRYGDSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486462888 490635191 /nfs/dbraw/zinc/63/51/91/490635191.db2.gz QZSUBJROTLDYFM-IKGGRYGDSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471833 490636684 /nfs/dbraw/zinc/63/66/84/490636684.db2.gz RVVLWGQERODJJR-UONOGXRCSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1cccs1 ZINC000486471833 490636687 /nfs/dbraw/zinc/63/66/87/490636687.db2.gz RVVLWGQERODJJR-UONOGXRCSA-N 2 2 350.488 0.822 20 0 FCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486470342 490637294 /nfs/dbraw/zinc/63/72/94/490637294.db2.gz PTLUAJNFHNQRNW-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486470342 490637298 /nfs/dbraw/zinc/63/72/98/490637298.db2.gz PTLUAJNFHNQRNW-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000537026492 490639846 /nfs/dbraw/zinc/63/98/46/490639846.db2.gz IXYAOXMNXNUJTL-BZUAXINKSA-N 2 2 370.494 0.374 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000537026492 490639848 /nfs/dbraw/zinc/63/98/48/490639848.db2.gz IXYAOXMNXNUJTL-BZUAXINKSA-N 2 2 370.494 0.374 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000550284686 490654101 /nfs/dbraw/zinc/65/41/01/490654101.db2.gz XAJPXOGNRXPQQU-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000550284687 490654107 /nfs/dbraw/zinc/65/41/07/490654107.db2.gz XAJPXOGNRXPQQU-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000537160438 490654837 /nfs/dbraw/zinc/65/48/37/490654837.db2.gz QWFNJUYILCBWTB-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000537160438 490654843 /nfs/dbraw/zinc/65/48/43/490654843.db2.gz QWFNJUYILCBWTB-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000537160438 490654851 /nfs/dbraw/zinc/65/48/51/490654851.db2.gz QWFNJUYILCBWTB-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000537160438 490654859 /nfs/dbraw/zinc/65/48/59/490654859.db2.gz QWFNJUYILCBWTB-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CC(C)([NH3+])c1nocc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000572016224 491343280 /nfs/dbraw/zinc/34/32/80/491343280.db2.gz UQEDRVZGVJBLQU-UHFFFAOYSA-N 2 2 359.434 0.210 20 0 FCADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550445796 490670683 /nfs/dbraw/zinc/67/06/83/490670683.db2.gz DUYSECVZDNRKRO-OAHLLOKOSA-N 2 2 370.457 0.736 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550469714 490672324 /nfs/dbraw/zinc/67/23/24/490672324.db2.gz RSYZQPLCFWFTRP-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP COc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000572059091 491345906 /nfs/dbraw/zinc/34/59/06/491345906.db2.gz KFXZCQNETFHOFN-FUHWJXTLSA-N 2 2 372.469 0.430 20 0 FCADLP COc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000572059091 491345907 /nfs/dbraw/zinc/34/59/07/491345907.db2.gz KFXZCQNETFHOFN-FUHWJXTLSA-N 2 2 372.469 0.430 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC[NH+]1CCCC1 ZINC000502236532 490688903 /nfs/dbraw/zinc/68/89/03/490688903.db2.gz AQTFMOAVQHTJFX-UHFFFAOYSA-N 2 2 353.488 0.848 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000527034895 490693990 /nfs/dbraw/zinc/69/39/90/490693990.db2.gz YSRYDOMLMKQXKH-UHFFFAOYSA-N 2 2 365.478 0.656 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH2+]C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000565032812 491347067 /nfs/dbraw/zinc/34/70/67/491347067.db2.gz UOXOGFSIOUXACU-DZKIICNBSA-N 2 2 354.495 0.106 20 0 FCADLP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000512844056 490700743 /nfs/dbraw/zinc/70/07/43/490700743.db2.gz GQGUPLMRWXVKCI-UHFFFAOYSA-N 2 2 367.538 0.114 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@H](C)C1 ZINC000538126683 490714799 /nfs/dbraw/zinc/71/47/99/490714799.db2.gz WINVLUIJDDVKQP-CQSZACIVSA-N 2 2 358.508 0.314 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@H](C)C1 ZINC000538126683 490714804 /nfs/dbraw/zinc/71/48/04/490714804.db2.gz WINVLUIJDDVKQP-CQSZACIVSA-N 2 2 358.508 0.314 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305412 490716109 /nfs/dbraw/zinc/71/61/09/490716109.db2.gz DNQSWPRWCCPUFU-GGPKGHCWSA-N 2 2 370.497 0.917 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305412 490716110 /nfs/dbraw/zinc/71/61/10/490716110.db2.gz DNQSWPRWCCPUFU-GGPKGHCWSA-N 2 2 370.497 0.917 20 0 FCADLP CC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000502695537 490716177 /nfs/dbraw/zinc/71/61/77/490716177.db2.gz YCTXITHLWPCSCD-OAHLLOKOSA-N 2 2 356.492 0.597 20 0 FCADLP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000502695537 490716178 /nfs/dbraw/zinc/71/61/78/490716178.db2.gz YCTXITHLWPCSCD-OAHLLOKOSA-N 2 2 356.492 0.597 20 0 FCADLP O=C1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1CC[NH+]1CCOCC1 ZINC000538158556 490716469 /nfs/dbraw/zinc/71/64/69/490716469.db2.gz GZAOMSVQRWZINZ-SFHVURJKSA-N 3 2 350.507 0.384 20 0 FCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000538216078 490719964 /nfs/dbraw/zinc/71/99/64/490719964.db2.gz FMBHGHAHUUCFPI-INIZCTEOSA-N 2 2 369.535 0.792 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000538281881 490724230 /nfs/dbraw/zinc/72/42/30/490724230.db2.gz VDZZVBQMCJVHOW-QGZVFWFLSA-N 2 2 364.494 0.130 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000513482463 490733423 /nfs/dbraw/zinc/73/34/23/490733423.db2.gz FVAKRIHVYISESA-OAHLLOKOSA-N 2 2 356.511 0.260 20 0 FCADLP COC(=O)CCn1nc(C)c(C[N@H+](C)C2CC[NH+](CCO)CC2)c1C ZINC000513514933 490737092 /nfs/dbraw/zinc/73/70/92/490737092.db2.gz MGFMGRHNKIGBIZ-UHFFFAOYSA-N 2 2 352.479 0.952 20 0 FCADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)C2CC[NH+](CCO)CC2)c1C ZINC000513514933 490737095 /nfs/dbraw/zinc/73/70/95/490737095.db2.gz MGFMGRHNKIGBIZ-UHFFFAOYSA-N 2 2 352.479 0.952 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CCC(F)(F)F ZINC000503109119 490738920 /nfs/dbraw/zinc/73/89/20/490738920.db2.gz IKYQGQMIRPHOLC-ZDUSSCGKSA-N 2 2 354.417 0.969 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CCC(F)(F)F ZINC000503109119 490738922 /nfs/dbraw/zinc/73/89/22/490738922.db2.gz IKYQGQMIRPHOLC-ZDUSSCGKSA-N 2 2 354.417 0.969 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1OC ZINC000487995874 490741135 /nfs/dbraw/zinc/74/11/35/490741135.db2.gz BEANEZXNUPEPQO-KDURUIRLSA-N 2 2 361.486 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1OC ZINC000487995874 490741139 /nfs/dbraw/zinc/74/11/39/490741139.db2.gz BEANEZXNUPEPQO-KDURUIRLSA-N 2 2 361.486 0.985 20 0 FCADLP CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000572148927 491352208 /nfs/dbraw/zinc/35/22/08/491352208.db2.gz KDOSPIMTNRKUKH-KLHDSHLOSA-N 2 2 351.495 0.776 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000557100300 491353392 /nfs/dbraw/zinc/35/33/92/491353392.db2.gz JCBGREWGXUNTNU-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000557100300 491353394 /nfs/dbraw/zinc/35/33/94/491353394.db2.gz JCBGREWGXUNTNU-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)C[C@H](C)O1 ZINC000514668233 490779886 /nfs/dbraw/zinc/77/98/86/490779886.db2.gz AUPMNLOJJHTMDP-HZSPNIEDSA-N 2 2 371.428 0.754 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CCC2 ZINC000514730163 490785452 /nfs/dbraw/zinc/78/54/52/490785452.db2.gz QUTRNECYFMAUNC-HOTGVXAUSA-N 2 2 359.474 0.882 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@H+]3CCCC[C@H]3C1)CCC2 ZINC000514730163 490785455 /nfs/dbraw/zinc/78/54/55/490785455.db2.gz QUTRNECYFMAUNC-HOTGVXAUSA-N 2 2 359.474 0.882 20 0 FCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000565155559 491356365 /nfs/dbraw/zinc/35/63/65/491356365.db2.gz GDGSHSXJFKERAH-UHFFFAOYSA-N 2 2 374.489 0.393 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C1=CC[N@H+](C)CC1 ZINC000515018064 490803195 /nfs/dbraw/zinc/80/31/95/490803195.db2.gz GSSKMTIHQRKJKU-AWEZNQCLSA-N 2 2 359.474 0.944 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C1=CC[N@@H+](C)CC1 ZINC000515018064 490803199 /nfs/dbraw/zinc/80/31/99/490803199.db2.gz GSSKMTIHQRKJKU-AWEZNQCLSA-N 2 2 359.474 0.944 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000515016089 490803343 /nfs/dbraw/zinc/80/33/43/490803343.db2.gz PEMREQMTEZPZCB-HLLBOEOZSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000515016089 490803344 /nfs/dbraw/zinc/80/33/44/490803344.db2.gz PEMREQMTEZPZCB-HLLBOEOZSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000540009391 490804552 /nfs/dbraw/zinc/80/45/52/490804552.db2.gz KFUOBULMNOOBCP-IAGOWNOFSA-N 2 2 358.552 0.923 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000557168252 491357305 /nfs/dbraw/zinc/35/73/05/491357305.db2.gz SZLIQAGBHORTKV-ZBFHGGJFSA-N 2 2 351.495 0.357 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322858 490817200 /nfs/dbraw/zinc/81/72/00/490817200.db2.gz ZLDHBDILOZTPKJ-LMMKCTJWSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322858 490817203 /nfs/dbraw/zinc/81/72/03/490817203.db2.gz ZLDHBDILOZTPKJ-LMMKCTJWSA-N 3 2 356.555 0.414 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000515405084 490824713 /nfs/dbraw/zinc/82/47/13/490824713.db2.gz ZWMOVBIIEVEKAO-AWEZNQCLSA-N 2 2 369.491 0.480 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000515405084 490824716 /nfs/dbraw/zinc/82/47/16/490824716.db2.gz ZWMOVBIIEVEKAO-AWEZNQCLSA-N 2 2 369.491 0.480 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000515416776 490825737 /nfs/dbraw/zinc/82/57/37/490825737.db2.gz FUNXALBEVWVPMI-KRWDZBQOSA-N 2 2 363.458 0.800 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000515495556 490829127 /nfs/dbraw/zinc/82/91/27/490829127.db2.gz HDGRNXXQQWSYNZ-ZACQAIPSSA-N 2 2 358.479 0.216 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000515495556 490829128 /nfs/dbraw/zinc/82/91/28/490829128.db2.gz HDGRNXXQQWSYNZ-ZACQAIPSSA-N 2 2 358.479 0.216 20 0 FCADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(=O)N1CCOCC1 ZINC000515686411 490835628 /nfs/dbraw/zinc/83/56/28/490835628.db2.gz VFUWZIOKWJJYMY-MRXNPFEDSA-N 2 2 355.479 0.631 20 0 FCADLP CCN(CC(C)(C)O)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000557233304 491360760 /nfs/dbraw/zinc/36/07/60/491360760.db2.gz JZUORHNDXAPELP-UHFFFAOYSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000505726928 490838094 /nfs/dbraw/zinc/83/80/94/490838094.db2.gz VQRRUOZEUKXEGF-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000505726928 490838097 /nfs/dbraw/zinc/83/80/97/490838097.db2.gz VQRRUOZEUKXEGF-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000506031420 490848086 /nfs/dbraw/zinc/84/80/86/490848086.db2.gz KLRMYKHMKHOXDG-CABCVRRESA-N 2 2 362.478 0.708 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000506031420 490848089 /nfs/dbraw/zinc/84/80/89/490848089.db2.gz KLRMYKHMKHOXDG-CABCVRRESA-N 2 2 362.478 0.708 20 0 FCADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000529314991 490850378 /nfs/dbraw/zinc/85/03/78/490850378.db2.gz KRECDBGLKTZGDG-CGTJXYLNSA-N 2 2 362.474 0.564 20 0 FCADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000529314991 490850380 /nfs/dbraw/zinc/85/03/80/490850380.db2.gz KRECDBGLKTZGDG-CGTJXYLNSA-N 2 2 362.474 0.564 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529355111 490856206 /nfs/dbraw/zinc/85/62/06/490856206.db2.gz GKUAWOYXRKZHMQ-CVEARBPZSA-N 2 2 363.506 0.609 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529357462 490856316 /nfs/dbraw/zinc/85/63/16/490856316.db2.gz RBFYGMOWJBVICR-UONOGXRCSA-N 2 2 359.478 0.559 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529357462 490856318 /nfs/dbraw/zinc/85/63/18/490856318.db2.gz RBFYGMOWJBVICR-UONOGXRCSA-N 2 2 359.478 0.559 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000541251698 490856513 /nfs/dbraw/zinc/85/65/13/490856513.db2.gz SNUACTOVUNRGRG-HNNXBMFYSA-N 2 2 362.478 0.160 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000529519929 490861872 /nfs/dbraw/zinc/86/18/72/490861872.db2.gz WOZJIELTXFPSII-HZPDHXFCSA-N 2 2 358.446 0.940 20 0 FCADLP Cn1cc(-c2nc3ccccn3c2NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000516551258 490867880 /nfs/dbraw/zinc/86/78/80/490867880.db2.gz BEELDSVPKRYJNL-AWEZNQCLSA-N 2 2 368.445 0.841 20 0 FCADLP Cn1cc(-c2nc3ccccn3c2NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000516551258 490867881 /nfs/dbraw/zinc/86/78/81/490867881.db2.gz BEELDSVPKRYJNL-AWEZNQCLSA-N 2 2 368.445 0.841 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000516562230 490868340 /nfs/dbraw/zinc/86/83/40/490868340.db2.gz MLUIDTJETWQNCT-OAHLLOKOSA-N 2 2 364.515 0.980 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517145016 490896265 /nfs/dbraw/zinc/89/62/65/490896265.db2.gz RTAGDMCJNFUPJE-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517145016 490896267 /nfs/dbraw/zinc/89/62/67/490896267.db2.gz RTAGDMCJNFUPJE-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000517173067 490897242 /nfs/dbraw/zinc/89/72/42/490897242.db2.gz SDHKHLSXEKXRPL-HIFRSBDPSA-N 2 2 356.492 0.556 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000517173067 490897244 /nfs/dbraw/zinc/89/72/44/490897244.db2.gz SDHKHLSXEKXRPL-HIFRSBDPSA-N 2 2 356.492 0.556 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000517222569 490900017 /nfs/dbraw/zinc/90/00/17/490900017.db2.gz RGUJERMFZJHQBV-ZACQAIPSSA-N 2 2 354.495 0.458 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+]1CCOCC1 ZINC000517222569 490900019 /nfs/dbraw/zinc/90/00/19/490900019.db2.gz RGUJERMFZJHQBV-ZACQAIPSSA-N 2 2 354.495 0.458 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000557219560 491360597 /nfs/dbraw/zinc/36/05/97/491360597.db2.gz UAJVUXXQXJQVAG-INIZCTEOSA-N 2 2 363.506 0.634 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000530648448 490917283 /nfs/dbraw/zinc/91/72/83/490917283.db2.gz JGIUCNPSXCOEKC-KRWDZBQOSA-N 2 2 373.501 0.702 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000530648448 490917286 /nfs/dbraw/zinc/91/72/86/490917286.db2.gz JGIUCNPSXCOEKC-KRWDZBQOSA-N 2 2 373.501 0.702 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000517765849 490920596 /nfs/dbraw/zinc/92/05/96/490920596.db2.gz KMDMCPFIJDYEJW-UHFFFAOYSA-N 2 2 354.495 0.159 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000517765849 490920597 /nfs/dbraw/zinc/92/05/97/490920597.db2.gz KMDMCPFIJDYEJW-UHFFFAOYSA-N 2 2 354.495 0.159 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000543079479 490921423 /nfs/dbraw/zinc/92/14/23/490921423.db2.gz KUXWBZXIYQSYTO-RDJZCZTQSA-N 2 2 368.522 0.402 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000543079479 490921425 /nfs/dbraw/zinc/92/14/25/490921425.db2.gz KUXWBZXIYQSYTO-RDJZCZTQSA-N 2 2 368.522 0.402 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000543079477 490921435 /nfs/dbraw/zinc/92/14/35/490921435.db2.gz KUXWBZXIYQSYTO-DOTOQJQBSA-N 2 2 368.522 0.402 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000543079477 490921437 /nfs/dbraw/zinc/92/14/37/490921437.db2.gz KUXWBZXIYQSYTO-DOTOQJQBSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000517803994 490921985 /nfs/dbraw/zinc/92/19/85/490921985.db2.gz WKIDASFLMMKNMD-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000530806473 490925559 /nfs/dbraw/zinc/92/55/59/490925559.db2.gz SLCLJGRTMCYBGN-MRXNPFEDSA-N 2 2 374.485 0.915 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000530806473 490925561 /nfs/dbraw/zinc/92/55/61/490925561.db2.gz SLCLJGRTMCYBGN-MRXNPFEDSA-N 2 2 374.485 0.915 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958004 490926257 /nfs/dbraw/zinc/92/62/57/490926257.db2.gz YHYHZAACNWUQJS-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958004 490926258 /nfs/dbraw/zinc/92/62/58/490926258.db2.gz YHYHZAACNWUQJS-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958004 490926259 /nfs/dbraw/zinc/92/62/59/490926259.db2.gz YHYHZAACNWUQJS-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000517958004 490926260 /nfs/dbraw/zinc/92/62/60/490926260.db2.gz YHYHZAACNWUQJS-SFHVURJKSA-N 2 2 367.465 0.913 20 0 FCADLP C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000530818079 490926416 /nfs/dbraw/zinc/92/64/16/490926416.db2.gz ZCXCHVHWEMTWSA-ZWOKBUDYSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000530818079 490926418 /nfs/dbraw/zinc/92/64/18/490926418.db2.gz ZCXCHVHWEMTWSA-ZWOKBUDYSA-N 2 2 361.486 0.849 20 0 FCADLP CS[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000517985046 490927131 /nfs/dbraw/zinc/92/71/31/490927131.db2.gz DFBPWKBUIIKRPE-AWEZNQCLSA-N 2 2 356.536 0.435 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000518297177 490935872 /nfs/dbraw/zinc/93/58/72/490935872.db2.gz JTEBBJUVYOUVJM-MRXNPFEDSA-N 2 2 356.511 0.489 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000518297177 490935874 /nfs/dbraw/zinc/93/58/74/490935874.db2.gz JTEBBJUVYOUVJM-MRXNPFEDSA-N 2 2 356.511 0.489 20 0 FCADLP COc1ccnc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000518317715 490936704 /nfs/dbraw/zinc/93/67/04/490936704.db2.gz XYBBUONLPHXIBV-UHFFFAOYSA-N 2 2 362.478 0.160 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292651 491365383 /nfs/dbraw/zinc/36/53/83/491365383.db2.gz YWASZWFPGWVCFM-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292651 491365385 /nfs/dbraw/zinc/36/53/85/491365385.db2.gz YWASZWFPGWVCFM-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000518575265 490945876 /nfs/dbraw/zinc/94/58/76/490945876.db2.gz OOASCZBUXZELSL-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000518575265 490945877 /nfs/dbraw/zinc/94/58/77/490945877.db2.gz OOASCZBUXZELSL-SJORKVTESA-N 2 2 368.522 0.308 20 0 FCADLP COc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1OC ZINC000518733195 490949469 /nfs/dbraw/zinc/94/94/69/490949469.db2.gz XSEGKPUHNZYYMV-CQSZACIVSA-N 2 2 366.462 0.539 20 0 FCADLP COc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1OC ZINC000518733195 490949472 /nfs/dbraw/zinc/94/94/72/490949472.db2.gz XSEGKPUHNZYYMV-CQSZACIVSA-N 2 2 366.462 0.539 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000531394170 490955975 /nfs/dbraw/zinc/95/59/75/490955975.db2.gz DBHISMYAAIOWLE-GOSISDBHSA-N 2 2 367.538 0.378 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])c3cscn3)cc2)CC1 ZINC000572398822 491367463 /nfs/dbraw/zinc/36/74/63/491367463.db2.gz DXXTZSUMKOZJAR-MRXNPFEDSA-N 2 2 373.482 0.847 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532027164 490983599 /nfs/dbraw/zinc/98/35/99/490983599.db2.gz JPPRPGPTVCACBU-DJIMGWMZSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532027164 490983600 /nfs/dbraw/zinc/98/36/00/490983600.db2.gz JPPRPGPTVCACBU-DJIMGWMZSA-N 2 2 354.495 0.384 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC)cc1 ZINC000519702840 490985132 /nfs/dbraw/zinc/98/51/32/490985132.db2.gz GZSZZHQABQRVHW-ZFWWWQNUSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC)cc1 ZINC000519702840 490985134 /nfs/dbraw/zinc/98/51/34/490985134.db2.gz GZSZZHQABQRVHW-ZFWWWQNUSA-N 2 2 359.492 0.184 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545146440 490988299 /nfs/dbraw/zinc/98/82/99/490988299.db2.gz FPVMHIQVGYGFKA-SFHVURJKSA-N 2 2 357.414 0.208 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000545146440 490988302 /nfs/dbraw/zinc/98/83/02/490988302.db2.gz FPVMHIQVGYGFKA-SFHVURJKSA-N 2 2 357.414 0.208 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532472210 490993220 /nfs/dbraw/zinc/99/32/20/490993220.db2.gz LOCBQJGWRWBSMP-INIZCTEOSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000532472210 490993221 /nfs/dbraw/zinc/99/32/21/490993221.db2.gz LOCBQJGWRWBSMP-INIZCTEOSA-N 2 2 371.485 0.863 20 0 FCADLP CN(C(=O)[C@]12CCC(=O)N1CCS2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479291 491926148 /nfs/dbraw/zinc/92/61/48/491926148.db2.gz UMAVNXNAUSOGDL-MAUKXSAKSA-N 2 2 366.531 0.679 20 0 FCADLP CN(C(=O)[C@]12CCC(=O)N1CCS2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479291 491926150 /nfs/dbraw/zinc/92/61/50/491926150.db2.gz UMAVNXNAUSOGDL-MAUKXSAKSA-N 2 2 366.531 0.679 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000569487222 491163759 /nfs/dbraw/zinc/16/37/59/491163759.db2.gz KZTDVJKNVIOPFW-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000569487222 491163760 /nfs/dbraw/zinc/16/37/60/491163760.db2.gz KZTDVJKNVIOPFW-ZDUSSCGKSA-N 2 2 354.476 0.546 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000668347816 493335131 /nfs/dbraw/zinc/33/51/31/493335131.db2.gz FXRDKENFVHBLFC-INIZCTEOSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000569529929 491166492 /nfs/dbraw/zinc/16/64/92/491166492.db2.gz CIIWCSAZWMLYLB-HOTGVXAUSA-N 2 2 359.474 0.504 20 0 FCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000569529928 491166588 /nfs/dbraw/zinc/16/65/88/491166588.db2.gz CIIWCSAZWMLYLB-CVEARBPZSA-N 2 2 359.474 0.504 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554056824 491173692 /nfs/dbraw/zinc/17/36/92/491173692.db2.gz KQXPTPDGFKSOAM-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554056824 491173694 /nfs/dbraw/zinc/17/36/94/491173694.db2.gz KQXPTPDGFKSOAM-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554061185 491174064 /nfs/dbraw/zinc/17/40/64/491174064.db2.gz IQQIHAVAJQBVKY-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000569641604 491176978 /nfs/dbraw/zinc/17/69/78/491176978.db2.gz SRBZMEGLEDSALE-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569641604 491176982 /nfs/dbraw/zinc/17/69/82/491176982.db2.gz SRBZMEGLEDSALE-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224510 491185394 /nfs/dbraw/zinc/18/53/94/491185394.db2.gz FXZPAAWPXJQXSU-HOTGVXAUSA-N 2 2 366.531 0.874 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224510 491185398 /nfs/dbraw/zinc/18/53/98/491185398.db2.gz FXZPAAWPXJQXSU-HOTGVXAUSA-N 2 2 366.531 0.874 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000557345847 491368999 /nfs/dbraw/zinc/36/89/99/491368999.db2.gz SCXFURPSSGMKMG-KGLIPLIRSA-N 2 2 359.434 0.016 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000557345846 491369195 /nfs/dbraw/zinc/36/91/95/491369195.db2.gz SCXFURPSSGMKMG-KBPBESRZSA-N 2 2 359.434 0.016 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000565436113 491376279 /nfs/dbraw/zinc/37/62/79/491376279.db2.gz IJQVXQPQODJVJK-WMLDXEAASA-N 2 2 358.442 0.662 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000565436113 491376284 /nfs/dbraw/zinc/37/62/84/491376284.db2.gz IJQVXQPQODJVJK-WMLDXEAASA-N 2 2 358.442 0.662 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC[NH+]3CCOCC3)CC2)CC1 ZINC000565498051 491380422 /nfs/dbraw/zinc/38/04/22/491380422.db2.gz YEUNYXDCQFBDCQ-UHFFFAOYSA-N 3 2 366.550 0.973 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000557553739 491382350 /nfs/dbraw/zinc/38/23/50/491382350.db2.gz CMBVQGAYYDWKFR-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000557553739 491382351 /nfs/dbraw/zinc/38/23/51/491382351.db2.gz CMBVQGAYYDWKFR-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[N@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573480 491384367 /nfs/dbraw/zinc/38/43/67/491384367.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[N@@H+](C)C2)nc1NC[C@@H]1CCC[NH+](C)C1 ZINC000557573480 491384368 /nfs/dbraw/zinc/38/43/68/491384368.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000557573480 491384370 /nfs/dbraw/zinc/38/43/70/491384370.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000557573480 491384372 /nfs/dbraw/zinc/38/43/72/491384372.db2.gz ZQQAREGYJFDNHB-JKSUJKDBSA-N 3 2 362.522 0.836 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000572662323 491384948 /nfs/dbraw/zinc/38/49/48/491384948.db2.gz IFFGZVIEQKWYSS-CKEIUWERSA-N 2 2 362.478 0.947 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000572706468 491387569 /nfs/dbraw/zinc/38/75/69/491387569.db2.gz GXJMWJDQGWRTDI-FUHWJXTLSA-N 2 2 373.501 0.121 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557706760 491392885 /nfs/dbraw/zinc/39/28/85/491392885.db2.gz PAWJUKAGJRMCQH-IKGGRYGDSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557706760 491392886 /nfs/dbraw/zinc/39/28/86/491392886.db2.gz PAWJUKAGJRMCQH-IKGGRYGDSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000572823334 491395670 /nfs/dbraw/zinc/39/56/70/491395670.db2.gz XJDOYLUACQCQCH-CZUORRHYSA-N 2 2 350.488 0.507 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000557754026 491396542 /nfs/dbraw/zinc/39/65/42/491396542.db2.gz JRUFEDLAYQOUKO-INIZCTEOSA-N 2 2 364.494 0.594 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000557754026 491396545 /nfs/dbraw/zinc/39/65/45/491396545.db2.gz JRUFEDLAYQOUKO-INIZCTEOSA-N 2 2 364.494 0.594 20 0 FCADLP [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000573004376 491406902 /nfs/dbraw/zinc/40/69/02/491406902.db2.gz ZEKRCQMLJYHLJJ-IAGOWNOFSA-N 2 2 372.469 0.084 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000573088439 491411470 /nfs/dbraw/zinc/41/14/70/491411470.db2.gz NZPRTYAFEYJREK-OAHLLOKOSA-N 2 2 361.446 0.423 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573088613 491411772 /nfs/dbraw/zinc/41/17/72/491411772.db2.gz RYLJGPKFSQGDAB-HOCLYGCPSA-N 2 2 372.469 0.592 20 0 FCADLP COc1ccc([C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2nccn2C)cc1 ZINC000566107206 491417544 /nfs/dbraw/zinc/41/75/44/491417544.db2.gz GVPAMWYYBDUSGL-MJGOQNOKSA-N 2 2 373.501 0.716 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccnc2N2CCOCC2)C[C@@H](C)O1 ZINC000566106381 491417727 /nfs/dbraw/zinc/41/77/27/491417727.db2.gz NZRCLHMAEXEGMO-NUJGCVRESA-N 2 2 364.490 0.478 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cccnc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000573222907 491420365 /nfs/dbraw/zinc/42/03/65/491420365.db2.gz SJBOTBISRZQCNR-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cccnc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000573222907 491420366 /nfs/dbraw/zinc/42/03/66/491420366.db2.gz SJBOTBISRZQCNR-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000566303666 491434119 /nfs/dbraw/zinc/43/41/19/491434119.db2.gz FDMGXHSLZIDGNS-MOPGFXCFSA-N 2 2 372.513 0.881 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566379339 491439941 /nfs/dbraw/zinc/43/99/41/491439941.db2.gz MUEZGAPJCRDRAC-MRXNPFEDSA-N 2 2 373.501 0.874 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)ccn12 ZINC000566442311 491444059 /nfs/dbraw/zinc/44/40/59/491444059.db2.gz QXKKIJGUATTZHX-HNNXBMFYSA-N 2 2 364.471 0.834 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCN2C1=O ZINC000566512694 491450810 /nfs/dbraw/zinc/45/08/10/491450810.db2.gz NWOZSWGKMAOSRZ-UKRRQHHQSA-N 2 2 372.404 0.465 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000566556123 491453007 /nfs/dbraw/zinc/45/30/07/491453007.db2.gz AVOZBOVQYVXFSL-GOSISDBHSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000566559826 491453264 /nfs/dbraw/zinc/45/32/64/491453264.db2.gz ZFCOTPYTWQCNCA-IKGGRYGDSA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566627747 491457102 /nfs/dbraw/zinc/45/71/02/491457102.db2.gz RNHPIKHHDZMFMK-CYBMUJFWSA-N 2 2 354.414 0.906 20 0 FCADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566627748 491457125 /nfs/dbraw/zinc/45/71/25/491457125.db2.gz RNHPIKHHDZMFMK-ZDUSSCGKSA-N 2 2 354.414 0.906 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000566673246 491459208 /nfs/dbraw/zinc/45/92/08/491459208.db2.gz FKFCRIVFRYPJBE-LZWOXQAQSA-N 2 2 351.447 0.110 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)C[C@@H](C)O1 ZINC000566673700 491459283 /nfs/dbraw/zinc/45/92/83/491459283.db2.gz XJRAMZGSWIOTEY-NUJGCVRESA-N 2 2 364.490 0.478 20 0 FCADLP CC(C)OCCS(=O)(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000573860184 491459497 /nfs/dbraw/zinc/45/94/97/491459497.db2.gz OTXCDTJIWKGDNG-UHFFFAOYSA-N 2 2 358.508 0.725 20 0 FCADLP CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1(C[NH3+])CCC1 ZINC000573924815 491463528 /nfs/dbraw/zinc/46/35/28/491463528.db2.gz YUIUWEGVPTZILR-UHFFFAOYSA-N 2 2 360.502 0.948 20 0 FCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000559377519 491468500 /nfs/dbraw/zinc/46/85/00/491468500.db2.gz GHADULKRISDKAQ-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000559377519 491468502 /nfs/dbraw/zinc/46/85/02/491468502.db2.gz GHADULKRISDKAQ-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CCCn1c2ccccc2n(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1=O ZINC000566854583 491471445 /nfs/dbraw/zinc/47/14/45/491471445.db2.gz ZTGUBDMCTNISPJ-OAHLLOKOSA-N 2 2 359.474 0.704 20 0 FCADLP CCCn1c2ccccc2n(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1=O ZINC000566854583 491471446 /nfs/dbraw/zinc/47/14/46/491471446.db2.gz ZTGUBDMCTNISPJ-OAHLLOKOSA-N 2 2 359.474 0.704 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000566985784 491479197 /nfs/dbraw/zinc/47/91/97/491479197.db2.gz YAKBZOWVQUESOU-RHSMWYFYSA-N 2 2 372.429 0.899 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660301599 493341475 /nfs/dbraw/zinc/34/14/75/493341475.db2.gz VNMBXWHGRMMRKQ-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660301599 493341477 /nfs/dbraw/zinc/34/14/77/493341477.db2.gz VNMBXWHGRMMRKQ-IXDOHACOSA-N 2 2 354.495 0.602 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000567138325 491488114 /nfs/dbraw/zinc/48/81/14/491488114.db2.gz LCHINVKLWTYULE-UHFFFAOYSA-N 2 2 361.490 0.887 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000567138325 491488116 /nfs/dbraw/zinc/48/81/16/491488116.db2.gz LCHINVKLWTYULE-UHFFFAOYSA-N 2 2 361.490 0.887 20 0 FCADLP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000559686494 491491503 /nfs/dbraw/zinc/49/15/03/491491503.db2.gz MWIPFNYTMMYATD-OAHLLOKOSA-N 2 2 359.474 0.837 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000567278350 491496913 /nfs/dbraw/zinc/49/69/13/491496913.db2.gz PMESKGMOJFONNG-FVQBIDKESA-N 2 2 374.489 0.214 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000567278350 491496915 /nfs/dbraw/zinc/49/69/15/491496915.db2.gz PMESKGMOJFONNG-FVQBIDKESA-N 2 2 374.489 0.214 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000559759954 491497049 /nfs/dbraw/zinc/49/70/49/491497049.db2.gz XTTMEJHOOPATFY-HNNXBMFYSA-N 2 2 361.490 0.726 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000559759954 491497050 /nfs/dbraw/zinc/49/70/50/491497050.db2.gz XTTMEJHOOPATFY-HNNXBMFYSA-N 2 2 361.490 0.726 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000574448342 491497134 /nfs/dbraw/zinc/49/71/34/491497134.db2.gz ZHQWDERZOGVRBN-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000574448342 491497135 /nfs/dbraw/zinc/49/71/35/491497135.db2.gz ZHQWDERZOGVRBN-UHFFFAOYSA-N 2 2 357.543 0.622 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1C ZINC000574474663 491499650 /nfs/dbraw/zinc/49/96/50/491499650.db2.gz PZPVSRASYQDUSI-OAHLLOKOSA-N 2 2 372.429 0.177 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000567337091 491500091 /nfs/dbraw/zinc/50/00/91/491500091.db2.gz SUCNYYOXXHITDB-TUUVXOQKSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000567337091 491500092 /nfs/dbraw/zinc/50/00/92/491500092.db2.gz SUCNYYOXXHITDB-TUUVXOQKSA-N 2 2 352.458 0.630 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000559808813 491501240 /nfs/dbraw/zinc/50/12/40/491501240.db2.gz PNIAENBIIKTHQR-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000574515441 491502288 /nfs/dbraw/zinc/50/22/88/491502288.db2.gz OZUXXQGFHLOYKC-QGZVFWFLSA-N 2 2 368.428 0.977 20 0 FCADLP CN1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000574546921 491504441 /nfs/dbraw/zinc/50/44/41/491504441.db2.gz VKHGMLGJJAZUKT-ZWKOTPCHSA-N 2 2 361.490 0.344 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567471933 491508195 /nfs/dbraw/zinc/50/81/95/491508195.db2.gz ALJJKLKPQNDLSY-CABCVRRESA-N 2 2 364.515 0.754 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567471933 491508198 /nfs/dbraw/zinc/50/81/98/491508198.db2.gz ALJJKLKPQNDLSY-CABCVRRESA-N 2 2 364.515 0.754 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2=O)c1 ZINC000567492848 491509498 /nfs/dbraw/zinc/50/94/98/491509498.db2.gz WDGNCYHPEVJBBU-MAUKXSAKSA-N 2 2 363.458 0.854 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2=O)c1 ZINC000567492848 491509501 /nfs/dbraw/zinc/50/95/01/491509501.db2.gz WDGNCYHPEVJBBU-MAUKXSAKSA-N 2 2 363.458 0.854 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571485 491514836 /nfs/dbraw/zinc/51/48/36/491514836.db2.gz HZPIFTFYZGJQFV-IRXDYDNUSA-N 3 2 355.527 0.408 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571485 491514838 /nfs/dbraw/zinc/51/48/38/491514838.db2.gz HZPIFTFYZGJQFV-IRXDYDNUSA-N 3 2 355.527 0.408 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000574741499 491517210 /nfs/dbraw/zinc/51/72/10/491517210.db2.gz NGCKBILKNJNRAG-GDBMZVCRSA-N 2 2 362.478 0.433 20 0 FCADLP CC(C)OC[C@H](CO)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683375595 493347965 /nfs/dbraw/zinc/34/79/65/493347965.db2.gz GEORMOSLMWRSRK-WBVHZDCISA-N 2 2 356.511 0.582 20 0 FCADLP CC(C)OC[C@H](CO)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683375595 493347967 /nfs/dbraw/zinc/34/79/67/493347967.db2.gz GEORMOSLMWRSRK-WBVHZDCISA-N 2 2 356.511 0.582 20 0 FCADLP O=C1CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@H](C2CC2)N1 ZINC000560264396 491527007 /nfs/dbraw/zinc/52/70/07/491527007.db2.gz AKMOFIAXEWWTRM-MJGOQNOKSA-N 2 2 350.507 0.430 20 0 FCADLP O=C1CC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@H](C2CC2)N1 ZINC000560264396 491527010 /nfs/dbraw/zinc/52/70/10/491527010.db2.gz AKMOFIAXEWWTRM-MJGOQNOKSA-N 2 2 350.507 0.430 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000574915381 491527469 /nfs/dbraw/zinc/52/74/69/491527469.db2.gz UJWIIEGAMOCOFU-OAHLLOKOSA-N 2 2 359.470 0.990 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000574915381 491527471 /nfs/dbraw/zinc/52/74/71/491527471.db2.gz UJWIIEGAMOCOFU-OAHLLOKOSA-N 2 2 359.470 0.990 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000567822618 491531974 /nfs/dbraw/zinc/53/19/74/491531974.db2.gz GCXFAOFZFRBQIP-KRWDZBQOSA-N 2 2 361.442 0.207 20 0 FCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nn1 ZINC000567837735 491533859 /nfs/dbraw/zinc/53/38/59/491533859.db2.gz STXVTPQVYMGUOR-GFCCVEGCSA-N 2 2 369.351 0.228 20 0 FCADLP [NH3+]C1(CNC(=O)[C@H]2CCS(=O)(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000567841388 491534088 /nfs/dbraw/zinc/53/40/88/491534088.db2.gz ARMQMPNCVQKTTN-INIZCTEOSA-N 2 2 365.499 0.531 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567881305 491537662 /nfs/dbraw/zinc/53/76/62/491537662.db2.gz VZNHMZXHSDNNQZ-HOTGVXAUSA-N 2 2 361.490 0.167 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567889260 491538698 /nfs/dbraw/zinc/53/86/98/491538698.db2.gz GENFPTIFRKKESR-ZFWWWQNUSA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567889260 491538701 /nfs/dbraw/zinc/53/87/01/491538701.db2.gz GENFPTIFRKKESR-ZFWWWQNUSA-N 2 2 363.458 0.870 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889611 491538714 /nfs/dbraw/zinc/53/87/14/491538714.db2.gz CGRGHUXZSCJNCC-SJORKVTESA-N 2 2 356.470 0.736 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889611 491538717 /nfs/dbraw/zinc/53/87/17/491538717.db2.gz CGRGHUXZSCJNCC-SJORKVTESA-N 2 2 356.470 0.736 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)NC1CC[NH2+]CC1 ZINC000575158359 491542759 /nfs/dbraw/zinc/54/27/59/491542759.db2.gz JMZAPTFQHMJQMQ-UHFFFAOYSA-N 2 2 365.522 0.762 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575196667 491545128 /nfs/dbraw/zinc/54/51/28/491545128.db2.gz SVGPEFHEMZZNCG-QZTJIDSGSA-N 2 2 372.513 0.887 20 0 FCADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575196667 491545130 /nfs/dbraw/zinc/54/51/30/491545130.db2.gz SVGPEFHEMZZNCG-QZTJIDSGSA-N 2 2 372.513 0.887 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575331081 491549367 /nfs/dbraw/zinc/54/93/67/491549367.db2.gz KHGQJKKTAHCVOK-WBVHZDCISA-N 2 2 360.458 0.335 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575331081 491549368 /nfs/dbraw/zinc/54/93/68/491549368.db2.gz KHGQJKKTAHCVOK-WBVHZDCISA-N 2 2 360.458 0.335 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000568051476 491550360 /nfs/dbraw/zinc/55/03/60/491550360.db2.gz NIBQLZRUXRFGDI-IRXDYDNUSA-N 2 2 364.515 0.455 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000568083547 491552009 /nfs/dbraw/zinc/55/20/09/491552009.db2.gz JYBIQVAPPHSPAB-HNNXBMFYSA-N 2 2 357.462 0.931 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000575401772 491552232 /nfs/dbraw/zinc/55/22/32/491552232.db2.gz MJVMARCZHQBCNM-LPHOPBHVSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000575401772 491552233 /nfs/dbraw/zinc/55/22/33/491552233.db2.gz MJVMARCZHQBCNM-LPHOPBHVSA-N 2 2 370.497 0.856 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000560778783 491557259 /nfs/dbraw/zinc/55/72/59/491557259.db2.gz XTEAFAMQDSGUQU-CVEARBPZSA-N 2 2 361.490 0.973 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000560778783 491557260 /nfs/dbraw/zinc/55/72/60/491557260.db2.gz XTEAFAMQDSGUQU-CVEARBPZSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000575740568 491557436 /nfs/dbraw/zinc/55/74/36/491557436.db2.gz CLTSFUMEZLEUMN-KFWWJZLASA-N 2 2 361.442 0.342 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)[C@@H](C[NH3+])C1 ZINC000568226320 491561062 /nfs/dbraw/zinc/56/10/62/491561062.db2.gz NXVIAGGXQOXBKP-JTQLQIEISA-N 2 2 353.810 0.778 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)[C@@H](C[NH3+])C1 ZINC000568226320 491561064 /nfs/dbraw/zinc/56/10/64/491561064.db2.gz NXVIAGGXQOXBKP-JTQLQIEISA-N 2 2 353.810 0.778 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000560903272 491563395 /nfs/dbraw/zinc/56/33/95/491563395.db2.gz UTSUXEMSPQONGK-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000560903272 491563397 /nfs/dbraw/zinc/56/33/97/491563397.db2.gz UTSUXEMSPQONGK-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000575852652 491564945 /nfs/dbraw/zinc/56/49/45/491564945.db2.gz JVNFUIGLFWEOGO-ZWKOTPCHSA-N 2 2 361.490 0.263 20 0 FCADLP C[N@@H+]1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)[C@H](C[NH3+])C1 ZINC000568270199 491565583 /nfs/dbraw/zinc/56/55/83/491565583.db2.gz VIPRTMZPTWNNOG-CQSZACIVSA-N 2 2 374.466 0.450 20 0 FCADLP C[N@H+]1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)[C@H](C[NH3+])C1 ZINC000568270199 491565584 /nfs/dbraw/zinc/56/55/84/491565584.db2.gz VIPRTMZPTWNNOG-CQSZACIVSA-N 2 2 374.466 0.450 20 0 FCADLP CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000560950986 491566666 /nfs/dbraw/zinc/56/66/66/491566666.db2.gz DHQVCIQBEVXKIT-RDJZCZTQSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000560950986 491566668 /nfs/dbraw/zinc/56/66/68/491566668.db2.gz DHQVCIQBEVXKIT-RDJZCZTQSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)N[C@H]1CC[NH2+]C1 ZINC000568294556 491567891 /nfs/dbraw/zinc/56/78/91/491567891.db2.gz VLSSMEFFWNEHRI-INIZCTEOSA-N 2 2 351.495 0.372 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC000576040960 491578145 /nfs/dbraw/zinc/57/81/45/491578145.db2.gz ZZVCQIKXWIQYTK-IPMKNSEASA-N 2 2 370.497 0.917 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CCN2C1=O ZINC000576053319 491578823 /nfs/dbraw/zinc/57/88/23/491578823.db2.gz KLPRRGNCYGOILN-DLBZAZTESA-N 2 2 353.426 0.244 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000577047760 491583519 /nfs/dbraw/zinc/58/35/19/491583519.db2.gz YUACBDFGKWKOBP-BRWVUGGUSA-N 2 2 366.506 0.347 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c[nH+]1 ZINC000576133158 491583990 /nfs/dbraw/zinc/58/39/90/491583990.db2.gz VGDVPUMGADBUOG-INIZCTEOSA-N 2 2 374.489 0.501 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427811 493352600 /nfs/dbraw/zinc/35/26/00/493352600.db2.gz SEYXYUXYYXUTEK-CVEARBPZSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427811 493352602 /nfs/dbraw/zinc/35/26/02/493352602.db2.gz SEYXYUXYYXUTEK-CVEARBPZSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445789 491591903 /nfs/dbraw/zinc/59/19/03/491591903.db2.gz SPGPSNAMSNJRHO-XHSDSOJGSA-N 2 2 358.490 0.922 20 0 FCADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445789 491591906 /nfs/dbraw/zinc/59/19/06/491591906.db2.gz SPGPSNAMSNJRHO-XHSDSOJGSA-N 2 2 358.490 0.922 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000561275676 491593479 /nfs/dbraw/zinc/59/34/79/491593479.db2.gz KVFTZEWMDRBQPJ-OAGGEKHMSA-N 2 2 361.490 0.798 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000576233534 491595757 /nfs/dbraw/zinc/59/57/57/491595757.db2.gz CFWDIMRWZLBMLW-DLBZAZTESA-N 2 2 366.506 0.333 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000576233537 491595938 /nfs/dbraw/zinc/59/59/38/491595938.db2.gz CFWDIMRWZLBMLW-SJORKVTESA-N 2 2 366.506 0.333 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473121 493354338 /nfs/dbraw/zinc/35/43/38/493354338.db2.gz OYSGTHKUUGGBIB-IKGGRYGDSA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473121 493354342 /nfs/dbraw/zinc/35/43/42/493354342.db2.gz OYSGTHKUUGGBIB-IKGGRYGDSA-N 2 2 366.506 0.286 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000584527538 491600812 /nfs/dbraw/zinc/60/08/12/491600812.db2.gz REOINUKXQRILEA-CABCVRRESA-N 2 2 368.428 0.942 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)CCC2 ZINC000568808981 491611324 /nfs/dbraw/zinc/61/13/24/491611324.db2.gz UTJZQWMTBVDEME-HNNXBMFYSA-N 2 2 358.446 0.930 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569001487 491625924 /nfs/dbraw/zinc/62/59/24/491625924.db2.gz BDCKVXLOQAETHD-KGLIPLIRSA-N 2 2 366.849 0.209 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569001487 491625925 /nfs/dbraw/zinc/62/59/25/491625925.db2.gz BDCKVXLOQAETHD-KGLIPLIRSA-N 2 2 366.849 0.209 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600231 491628663 /nfs/dbraw/zinc/62/86/63/491628663.db2.gz WESSTRCGXDZFFF-IAGOWNOFSA-N 2 2 367.453 0.137 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3cccc4cccnc43)CCN2C1=O ZINC000576600231 491628666 /nfs/dbraw/zinc/62/86/66/491628666.db2.gz WESSTRCGXDZFFF-IAGOWNOFSA-N 2 2 367.453 0.137 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)CCC2 ZINC000561750583 491629142 /nfs/dbraw/zinc/62/91/42/491629142.db2.gz LFQSRWKSGXXAQF-CQSZACIVSA-N 2 2 365.503 0.350 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000576610361 491629426 /nfs/dbraw/zinc/62/94/26/491629426.db2.gz WOLRIUOGQZUXGK-UHFFFAOYSA-N 2 2 357.458 0.841 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576649955 491632759 /nfs/dbraw/zinc/63/27/59/491632759.db2.gz VOGSOLWRRRRCGR-OIISXLGYSA-N 2 2 374.485 0.896 20 0 FCADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576649955 491632762 /nfs/dbraw/zinc/63/27/62/491632762.db2.gz VOGSOLWRRRRCGR-OIISXLGYSA-N 2 2 374.485 0.896 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000577630686 491638442 /nfs/dbraw/zinc/63/84/42/491638442.db2.gz UBKQWWMXIHNPHN-INIZCTEOSA-N 2 2 362.474 0.163 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000577630686 491638444 /nfs/dbraw/zinc/63/84/44/491638444.db2.gz UBKQWWMXIHNPHN-INIZCTEOSA-N 2 2 362.474 0.163 20 0 FCADLP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000576720092 491638999 /nfs/dbraw/zinc/63/89/99/491638999.db2.gz KRXAMEAGZQUYJJ-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000577662944 491641299 /nfs/dbraw/zinc/64/12/99/491641299.db2.gz DZRHHPCBXAZLPQ-LSDHHAIUSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000577662944 491641301 /nfs/dbraw/zinc/64/13/01/491641301.db2.gz DZRHHPCBXAZLPQ-LSDHHAIUSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000576790057 491645087 /nfs/dbraw/zinc/64/50/87/491645087.db2.gz RRLFXWQTCNYXLT-HNNXBMFYSA-N 2 2 366.506 0.322 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000576790057 491645090 /nfs/dbraw/zinc/64/50/90/491645090.db2.gz RRLFXWQTCNYXLT-HNNXBMFYSA-N 2 2 366.506 0.322 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000576790057 491645093 /nfs/dbraw/zinc/64/50/93/491645093.db2.gz RRLFXWQTCNYXLT-HNNXBMFYSA-N 2 2 366.506 0.322 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000577724428 491645625 /nfs/dbraw/zinc/64/56/25/491645625.db2.gz RHLKLJSMRIVYKP-ZWKOTPCHSA-N 2 2 362.474 0.738 20 0 FCADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000577742236 491647830 /nfs/dbraw/zinc/64/78/30/491647830.db2.gz FWPWLOARTBTHGL-RTBURBONSA-N 2 2 363.502 0.783 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000562029142 491648817 /nfs/dbraw/zinc/64/88/17/491648817.db2.gz BGOSNRLAIHQORV-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000577747310 491648812 /nfs/dbraw/zinc/64/88/12/491648812.db2.gz FJYWCFFNFJKOSL-UHFFFAOYSA-N 2 2 355.508 0.601 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000577747310 491648814 /nfs/dbraw/zinc/64/88/14/491648814.db2.gz FJYWCFFNFJKOSL-UHFFFAOYSA-N 2 2 355.508 0.601 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCn2cc(Br)cn2)[C@H](C[NH3+])C1 ZINC000578226671 491672550 /nfs/dbraw/zinc/67/25/50/491672550.db2.gz OPNMCIDNRVPEGS-GFCCVEGCSA-N 2 2 359.272 0.320 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000577851027 491656691 /nfs/dbraw/zinc/65/66/91/491656691.db2.gz XWDNIAIRPOWLCJ-LLVKDONJSA-N 2 2 352.460 0.083 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCn2cc(Br)cn2)[C@H](C[NH3+])C1 ZINC000578226671 491672551 /nfs/dbraw/zinc/67/25/51/491672551.db2.gz OPNMCIDNRVPEGS-GFCCVEGCSA-N 2 2 359.272 0.320 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000562192566 491658711 /nfs/dbraw/zinc/65/87/11/491658711.db2.gz MITJXEGXYUAIDT-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000562192566 491658715 /nfs/dbraw/zinc/65/87/15/491658715.db2.gz MITJXEGXYUAIDT-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000562192566 491658719 /nfs/dbraw/zinc/65/87/19/491658719.db2.gz MITJXEGXYUAIDT-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000562192566 491658722 /nfs/dbraw/zinc/65/87/22/491658722.db2.gz MITJXEGXYUAIDT-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP CNC(=O)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673706423 493359158 /nfs/dbraw/zinc/35/91/58/493359158.db2.gz GDLBRTCWTRSIPQ-MRXNPFEDSA-N 2 2 365.522 0.713 20 0 FCADLP CNC(=O)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000673706423 493359159 /nfs/dbraw/zinc/35/91/59/493359159.db2.gz GDLBRTCWTRSIPQ-MRXNPFEDSA-N 2 2 365.522 0.713 20 0 FCADLP CN1C(=O)N[C@]2(CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)C1=O ZINC000577945971 491664860 /nfs/dbraw/zinc/66/48/60/491664860.db2.gz DATVLKYWYZTINZ-IBGZPJMESA-N 2 2 358.442 0.645 20 0 FCADLP CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)C1=O ZINC000577945971 491664861 /nfs/dbraw/zinc/66/48/61/491664861.db2.gz DATVLKYWYZTINZ-IBGZPJMESA-N 2 2 358.442 0.645 20 0 FCADLP COCCCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000578334963 491675045 /nfs/dbraw/zinc/67/50/45/491675045.db2.gz CNZVTPIGONZUHD-INIZCTEOSA-N 2 2 350.463 0.886 20 0 FCADLP COCCCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000578334963 491675046 /nfs/dbraw/zinc/67/50/46/491675046.db2.gz CNZVTPIGONZUHD-INIZCTEOSA-N 2 2 350.463 0.886 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000578379861 491675943 /nfs/dbraw/zinc/67/59/43/491675943.db2.gz IWZWJZSYMCWLDD-IAOVAPTHSA-N 2 2 362.449 0.979 20 0 FCADLP CCN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000578379861 491675944 /nfs/dbraw/zinc/67/59/44/491675944.db2.gz IWZWJZSYMCWLDD-IAOVAPTHSA-N 2 2 362.449 0.979 20 0 FCADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000578396679 491676548 /nfs/dbraw/zinc/67/65/48/491676548.db2.gz ZJYOBONXUQZLSU-OAHLLOKOSA-N 2 2 374.551 0.142 20 0 FCADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000578396679 491676549 /nfs/dbraw/zinc/67/65/49/491676549.db2.gz ZJYOBONXUQZLSU-OAHLLOKOSA-N 2 2 374.551 0.142 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)cc[nH+]1 ZINC000578661475 491681843 /nfs/dbraw/zinc/68/18/43/491681843.db2.gz MIIPLTQXTITUSV-UHFFFAOYSA-N 2 2 360.462 0.021 20 0 FCADLP C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000579235341 491693676 /nfs/dbraw/zinc/69/36/76/491693676.db2.gz GVVARRZXKZZNMY-MAUKXSAKSA-N 2 2 363.481 0.438 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCc4[nH]c5ccccc5c4C3)CCN2C1=O ZINC000579253188 491694186 /nfs/dbraw/zinc/69/41/86/491694186.db2.gz LBXLKBHFWXAPSQ-CJNGLKHVSA-N 2 2 367.453 0.296 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H](C)O1 ZINC000579309455 491695191 /nfs/dbraw/zinc/69/51/91/491695191.db2.gz OVYDNZMOOXBBBL-OKILXGFUSA-N 2 2 352.483 0.737 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H](C)O1 ZINC000579309455 491695192 /nfs/dbraw/zinc/69/51/92/491695192.db2.gz OVYDNZMOOXBBBL-OKILXGFUSA-N 2 2 352.483 0.737 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccsc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000579342220 491695737 /nfs/dbraw/zinc/69/57/37/491695737.db2.gz XUQPKYBCMWFJJG-CVEARBPZSA-N 2 2 362.499 0.460 20 0 FCADLP CCC(CC)[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000579385849 491697035 /nfs/dbraw/zinc/69/70/35/491697035.db2.gz SWHPVFIOBCEIEY-PKOBYXMFSA-N 2 2 353.507 0.696 20 0 FCADLP CCC(CC)[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000579385848 491697071 /nfs/dbraw/zinc/69/70/71/491697071.db2.gz SWHPVFIOBCEIEY-MJGOQNOKSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)C[C@@H](C)O1 ZINC000579700569 491703236 /nfs/dbraw/zinc/70/32/36/491703236.db2.gz DDRBOWJJOGDXKJ-JFIYKMOQSA-N 2 2 364.490 0.478 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000579877638 491707567 /nfs/dbraw/zinc/70/75/67/491707567.db2.gz RWVHNVCCAJMRKV-KRWDZBQOSA-N 2 2 351.447 0.697 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000579958545 491711328 /nfs/dbraw/zinc/71/13/28/491711328.db2.gz JFNIGFMMWJLPRN-CVEARBPZSA-N 2 2 362.474 0.452 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000579985081 491712587 /nfs/dbraw/zinc/71/25/87/491712587.db2.gz YWHTUNASHAZYMX-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000584771225 491713609 /nfs/dbraw/zinc/71/36/09/491713609.db2.gz ALXMOIIICCIYER-MRXNPFEDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000584771225 491713610 /nfs/dbraw/zinc/71/36/10/491713610.db2.gz ALXMOIIICCIYER-MRXNPFEDSA-N 2 2 358.486 0.835 20 0 FCADLP O[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580276597 491723810 /nfs/dbraw/zinc/72/38/10/491723810.db2.gz RFWBHEPEAIJBMF-DLBZAZTESA-N 2 2 361.490 0.986 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccsc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580431796 491731072 /nfs/dbraw/zinc/73/10/72/491731072.db2.gz GBSSVLWTCLSJOM-GOSISDBHSA-N 2 2 362.499 0.604 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580467425 491732623 /nfs/dbraw/zinc/73/26/23/491732623.db2.gz YCESMZJXMSZXQY-JKSUJKDBSA-N 2 2 360.458 0.042 20 0 FCADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580467425 491732625 /nfs/dbraw/zinc/73/26/25/491732625.db2.gz YCESMZJXMSZXQY-JKSUJKDBSA-N 2 2 360.458 0.042 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000580714715 491742535 /nfs/dbraw/zinc/74/25/35/491742535.db2.gz GTERVZQDMZQLND-CABCVRRESA-N 2 2 357.458 0.832 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000580759688 491744667 /nfs/dbraw/zinc/74/46/67/491744667.db2.gz AXKCUMINBSAVFO-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000580759688 491744668 /nfs/dbraw/zinc/74/46/68/491744668.db2.gz AXKCUMINBSAVFO-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000668469529 493360100 /nfs/dbraw/zinc/36/01/00/493360100.db2.gz IRKFCHWTLJIYAI-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000668469529 493360101 /nfs/dbraw/zinc/36/01/01/493360101.db2.gz IRKFCHWTLJIYAI-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000580955963 491753271 /nfs/dbraw/zinc/75/32/71/491753271.db2.gz STETUHXWGCJXHK-INIZCTEOSA-N 2 2 355.442 0.990 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3c(C)cnn3C)CC2)CC1 ZINC000581008999 491755094 /nfs/dbraw/zinc/75/50/94/491755094.db2.gz MLIVHBGSNMLWHT-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3c(C)cnn3C)CC2)CC1 ZINC000581008999 491755096 /nfs/dbraw/zinc/75/50/96/491755096.db2.gz MLIVHBGSNMLWHT-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000581120840 491759880 /nfs/dbraw/zinc/75/98/80/491759880.db2.gz HAVYSJQKTDBXAB-RDJZCZTQSA-N 2 2 365.522 0.618 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)C[C@@H](C)O1 ZINC000581126278 491760210 /nfs/dbraw/zinc/76/02/10/491760210.db2.gz BAUCLNNDUYDPHL-BZUAXINKSA-N 2 2 371.503 0.025 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000581199456 491763429 /nfs/dbraw/zinc/76/34/29/491763429.db2.gz IMKFOFLJRMNWPH-OAHLLOKOSA-N 2 2 361.490 0.895 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590871110 491788066 /nfs/dbraw/zinc/78/80/66/491788066.db2.gz NXRAUDDJUWARBE-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590871110 491788067 /nfs/dbraw/zinc/78/80/67/491788067.db2.gz NXRAUDDJUWARBE-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000581992618 491793418 /nfs/dbraw/zinc/79/34/18/491793418.db2.gz FHMNFXMHIDATCF-QGZVFWFLSA-N 2 2 365.522 0.844 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081348 491795587 /nfs/dbraw/zinc/79/55/87/491795587.db2.gz ABCLODOEVHOXMG-AWEZNQCLSA-N 2 2 363.443 0.806 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591081348 491795589 /nfs/dbraw/zinc/79/55/89/491795589.db2.gz ABCLODOEVHOXMG-AWEZNQCLSA-N 2 2 363.443 0.806 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000582116355 491798555 /nfs/dbraw/zinc/79/85/55/491798555.db2.gz YQPMFRREKMRHTL-OKZBNKHCSA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000582116355 491798556 /nfs/dbraw/zinc/79/85/56/491798556.db2.gz YQPMFRREKMRHTL-OKZBNKHCSA-N 2 2 356.470 0.570 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000582175253 491801049 /nfs/dbraw/zinc/80/10/49/491801049.db2.gz BYWOPXREOKIWDV-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000582175253 491801050 /nfs/dbraw/zinc/80/10/50/491801050.db2.gz BYWOPXREOKIWDV-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000582235468 491803480 /nfs/dbraw/zinc/80/34/80/491803480.db2.gz OEBRADLKHKBNAU-NRFANRHFSA-N 2 2 370.497 0.851 20 0 FCADLP CCOC(=O)c1sc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nc1C ZINC000591355075 491803824 /nfs/dbraw/zinc/80/38/24/491803824.db2.gz URGVVZQIWZQEPC-LLVKDONJSA-N 2 2 355.464 0.413 20 0 FCADLP CCOC(=O)c1sc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1C ZINC000591355075 491803826 /nfs/dbraw/zinc/80/38/26/491803826.db2.gz URGVVZQIWZQEPC-LLVKDONJSA-N 2 2 355.464 0.413 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000582400179 491810784 /nfs/dbraw/zinc/81/07/84/491810784.db2.gz IOQFIBBQTZHSQT-ZDUSSCGKSA-N 2 2 360.462 0.827 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000591615923 491812267 /nfs/dbraw/zinc/81/22/67/491812267.db2.gz FRLGRIRODWEJRJ-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000591615923 491812269 /nfs/dbraw/zinc/81/22/69/491812269.db2.gz FRLGRIRODWEJRJ-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000591633146 491813619 /nfs/dbraw/zinc/81/36/19/491813619.db2.gz OLBYNXHZBSNZJO-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000582576817 491818659 /nfs/dbraw/zinc/81/86/59/491818659.db2.gz BDJGYHJLSIKGTI-LJQANCHMSA-N 2 2 372.469 0.625 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000582782618 491826492 /nfs/dbraw/zinc/82/64/92/491826492.db2.gz GGKSAFDILMHBLF-MSOLQXFVSA-N 2 2 374.485 0.353 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582953642 491833904 /nfs/dbraw/zinc/83/39/04/491833904.db2.gz WPWFRVRUDYIKHR-IBGZPJMESA-N 2 2 373.505 0.384 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000582979268 491835004 /nfs/dbraw/zinc/83/50/04/491835004.db2.gz KZOAWSPDWDJXKT-IRXDYDNUSA-N 2 2 368.522 0.261 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@@H]3CC[NH2+]C[C@H]3C1)C2 ZINC000583257120 491841004 /nfs/dbraw/zinc/84/10/04/491841004.db2.gz IKSYSFIZTXAIIF-KBPBESRZSA-N 2 2 359.474 0.496 20 0 FCADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000583489019 491845936 /nfs/dbraw/zinc/84/59/36/491845936.db2.gz HIUNBFQSQVHULP-KBPBESRZSA-N 2 2 354.476 0.409 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639997 491849188 /nfs/dbraw/zinc/84/91/88/491849188.db2.gz XXGZCWPLDKPBGW-SQNIBIBYSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639997 491849189 /nfs/dbraw/zinc/84/91/89/491849189.db2.gz XXGZCWPLDKPBGW-SQNIBIBYSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639997 491849190 /nfs/dbraw/zinc/84/91/90/491849190.db2.gz XXGZCWPLDKPBGW-SQNIBIBYSA-N 2 2 350.459 0.814 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000583639997 491849191 /nfs/dbraw/zinc/84/91/91/491849191.db2.gz XXGZCWPLDKPBGW-SQNIBIBYSA-N 2 2 350.459 0.814 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 ZINC000583748073 491851177 /nfs/dbraw/zinc/85/11/77/491851177.db2.gz POXGPRYNODJCDP-MDZRGWNJSA-N 2 2 359.474 0.886 20 0 FCADLP [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000583755845 491851298 /nfs/dbraw/zinc/85/12/98/491851298.db2.gz GKCRLWPLCMXRSU-GOSISDBHSA-N 2 2 362.474 0.507 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCN3CCOCC3)CC2)CC1 ZINC000583806079 491852439 /nfs/dbraw/zinc/85/24/39/491852439.db2.gz CUXOIUOMRVLVBS-UHFFFAOYSA-N 2 2 367.538 0.520 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCN3CCOCC3)CC2)CC1 ZINC000583806079 491852440 /nfs/dbraw/zinc/85/24/40/491852440.db2.gz CUXOIUOMRVLVBS-UHFFFAOYSA-N 2 2 367.538 0.520 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nn1 ZINC000583932536 491855005 /nfs/dbraw/zinc/85/50/05/491855005.db2.gz UXFXGSATQQMUMT-INIZCTEOSA-N 2 2 358.446 0.430 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138879 491859429 /nfs/dbraw/zinc/85/94/29/491859429.db2.gz IAKWKMYKTQYTEM-BBRMVZONSA-N 2 2 359.474 0.777 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138879 491859430 /nfs/dbraw/zinc/85/94/30/491859430.db2.gz IAKWKMYKTQYTEM-BBRMVZONSA-N 2 2 359.474 0.777 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651610 491865843 /nfs/dbraw/zinc/86/58/43/491865843.db2.gz WPVGMVJOVCKXSO-YOEHRIQHSA-N 2 2 371.485 0.897 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651610 491865844 /nfs/dbraw/zinc/86/58/44/491865844.db2.gz WPVGMVJOVCKXSO-YOEHRIQHSA-N 2 2 371.485 0.897 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611690537 491868822 /nfs/dbraw/zinc/86/88/22/491868822.db2.gz HUIZOLNTPYXXLA-DLBZAZTESA-N 2 2 367.453 0.705 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611690537 491868824 /nfs/dbraw/zinc/86/88/24/491868824.db2.gz HUIZOLNTPYXXLA-DLBZAZTESA-N 2 2 367.453 0.705 20 0 FCADLP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611690151 491869043 /nfs/dbraw/zinc/86/90/43/491869043.db2.gz GXSRKGKCGAGVPQ-MRXNPFEDSA-N 2 2 359.474 0.552 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875481 491869219 /nfs/dbraw/zinc/86/92/19/491869219.db2.gz ILQYKASCHNKQGE-KSZLIROESA-N 2 2 356.470 0.984 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875481 491869221 /nfs/dbraw/zinc/86/92/21/491869221.db2.gz ILQYKASCHNKQGE-KSZLIROESA-N 2 2 356.470 0.984 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000600724695 491878578 /nfs/dbraw/zinc/87/85/78/491878578.db2.gz HHEYQKHJSOLHNE-CHWSQXEVSA-N 2 2 365.396 0.857 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000600724695 491878579 /nfs/dbraw/zinc/87/85/79/491878579.db2.gz HHEYQKHJSOLHNE-CHWSQXEVSA-N 2 2 365.396 0.857 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC[N@H+](C)C1 ZINC000595050530 491880816 /nfs/dbraw/zinc/88/08/16/491880816.db2.gz RPMZPTYQSAEHTM-CYBMUJFWSA-N 2 2 373.413 0.144 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC[N@@H+](C)C1 ZINC000595050530 491880817 /nfs/dbraw/zinc/88/08/17/491880817.db2.gz RPMZPTYQSAEHTM-CYBMUJFWSA-N 2 2 373.413 0.144 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000601066110 491895933 /nfs/dbraw/zinc/89/59/33/491895933.db2.gz KGHRUCOYPXZFPU-INIZCTEOSA-N 2 2 355.504 0.493 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000601066110 491895934 /nfs/dbraw/zinc/89/59/34/491895934.db2.gz KGHRUCOYPXZFPU-INIZCTEOSA-N 2 2 355.504 0.493 20 0 FCADLP CCOC(=O)C1(C)CC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000601271778 491901427 /nfs/dbraw/zinc/90/14/27/491901427.db2.gz SIQFSDKIWHSSKM-KSTDHSDQSA-N 2 2 353.463 0.241 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000612324959 491910196 /nfs/dbraw/zinc/91/01/96/491910196.db2.gz LNRMEYXBCHPOAQ-QZTJIDSGSA-N 2 2 368.522 0.849 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000612552220 491934012 /nfs/dbraw/zinc/93/40/12/491934012.db2.gz NDKBWNLXNCNGNY-HNNXBMFYSA-N 2 2 364.515 0.993 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000612552220 491934014 /nfs/dbraw/zinc/93/40/14/491934014.db2.gz NDKBWNLXNCNGNY-HNNXBMFYSA-N 2 2 364.515 0.993 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471100 491934946 /nfs/dbraw/zinc/93/49/46/491934946.db2.gz WVUGENDODUATCC-HUUCEWRRSA-N 2 2 356.467 0.034 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471100 491934947 /nfs/dbraw/zinc/93/49/47/491934947.db2.gz WVUGENDODUATCC-HUUCEWRRSA-N 2 2 356.467 0.034 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478103 491935356 /nfs/dbraw/zinc/93/53/56/491935356.db2.gz ZJORPIOLTFRYOW-HOTGVXAUSA-N 2 2 353.463 0.195 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478103 491935357 /nfs/dbraw/zinc/93/53/57/491935357.db2.gz ZJORPIOLTFRYOW-HOTGVXAUSA-N 2 2 353.463 0.195 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612780470 491950746 /nfs/dbraw/zinc/95/07/46/491950746.db2.gz GTEZEMLVKGDLMQ-OAHLLOKOSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612780470 491950747 /nfs/dbraw/zinc/95/07/47/491950747.db2.gz GTEZEMLVKGDLMQ-OAHLLOKOSA-N 2 2 366.506 0.062 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC000602129451 491961801 /nfs/dbraw/zinc/96/18/01/491961801.db2.gz IVNFGEWADWKBEU-OAHLLOKOSA-N 2 2 355.479 0.441 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC000602129451 491961802 /nfs/dbraw/zinc/96/18/02/491961802.db2.gz IVNFGEWADWKBEU-OAHLLOKOSA-N 2 2 355.479 0.441 20 0 FCADLP CC(C)CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200267 491967190 /nfs/dbraw/zinc/96/71/90/491967190.db2.gz IXNYZTZKEYYMPC-JKSUJKDBSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200267 491967194 /nfs/dbraw/zinc/96/71/94/491967194.db2.gz IXNYZTZKEYYMPC-JKSUJKDBSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1-n1cnnn1 ZINC000602204058 491967998 /nfs/dbraw/zinc/96/79/98/491967998.db2.gz YCOFAAORTWMDDI-INIZCTEOSA-N 2 2 369.473 0.869 20 0 FCADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1-n1cnnn1 ZINC000602204058 491968000 /nfs/dbraw/zinc/96/80/00/491968000.db2.gz YCOFAAORTWMDDI-INIZCTEOSA-N 2 2 369.473 0.869 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000602482243 491989202 /nfs/dbraw/zinc/98/92/02/491989202.db2.gz HXKGLBDGISQIQE-AWEZNQCLSA-N 2 2 356.492 0.527 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(N)(=O)=O)o3)C2)CC1 ZINC000602482243 491989203 /nfs/dbraw/zinc/98/92/03/491989203.db2.gz HXKGLBDGISQIQE-AWEZNQCLSA-N 2 2 356.492 0.527 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000602503246 491989793 /nfs/dbraw/zinc/98/97/93/491989793.db2.gz PDJQRPQAOOLGQQ-RHSMWYFYSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000602503246 491989796 /nfs/dbraw/zinc/98/97/96/491989796.db2.gz PDJQRPQAOOLGQQ-RHSMWYFYSA-N 2 2 363.458 0.661 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@@H](O)C[N@H+](C)C3CC3)nn2)CC1 ZINC000603258751 492022499 /nfs/dbraw/zinc/02/24/99/492022499.db2.gz KKIRUEKUGVQGCX-KRWDZBQOSA-N 2 2 365.478 0.508 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@@H](O)C[N@@H+](C)C3CC3)nn2)CC1 ZINC000603258751 492022500 /nfs/dbraw/zinc/02/25/00/492022500.db2.gz KKIRUEKUGVQGCX-KRWDZBQOSA-N 2 2 365.478 0.508 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1C ZINC000603428097 492032489 /nfs/dbraw/zinc/03/24/89/492032489.db2.gz JROZUBKINUQCDO-QGZVFWFLSA-N 2 2 364.490 0.698 20 0 FCADLP C[NH+](C)CCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000603582201 492037951 /nfs/dbraw/zinc/03/79/51/492037951.db2.gz JFXKRVUMKHLGFX-UHFFFAOYSA-N 2 2 367.538 0.962 20 0 FCADLP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664840 492046902 /nfs/dbraw/zinc/04/69/02/492046902.db2.gz ZBTMQLDLSLRXRD-KBPBESRZSA-N 2 2 353.492 0.835 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664840 492046903 /nfs/dbraw/zinc/04/69/03/492046903.db2.gz ZBTMQLDLSLRXRD-KBPBESRZSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664840 492046904 /nfs/dbraw/zinc/04/69/04/492046904.db2.gz ZBTMQLDLSLRXRD-KBPBESRZSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664840 492046905 /nfs/dbraw/zinc/04/69/05/492046905.db2.gz ZBTMQLDLSLRXRD-KBPBESRZSA-N 2 2 353.492 0.835 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000614745824 492052756 /nfs/dbraw/zinc/05/27/56/492052756.db2.gz BHMZFHPCPUHARW-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)CC1 ZINC000604196157 492054296 /nfs/dbraw/zinc/05/42/96/492054296.db2.gz DAUPIWWLHDFXRO-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)CC1 ZINC000604196157 492054297 /nfs/dbraw/zinc/05/42/97/492054297.db2.gz DAUPIWWLHDFXRO-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604651863 492065676 /nfs/dbraw/zinc/06/56/76/492065676.db2.gz TUFUUKNMZAYOFK-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604651863 492065677 /nfs/dbraw/zinc/06/56/77/492065677.db2.gz TUFUUKNMZAYOFK-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604651863 492065678 /nfs/dbraw/zinc/06/56/78/492065678.db2.gz TUFUUKNMZAYOFK-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604651863 492065679 /nfs/dbraw/zinc/06/56/79/492065679.db2.gz TUFUUKNMZAYOFK-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000604656626 492066478 /nfs/dbraw/zinc/06/64/78/492066478.db2.gz BLUBLEFNMSCQGJ-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOC[C@H]3CCCO3)C2)CC1 ZINC000604656626 492066480 /nfs/dbraw/zinc/06/64/80/492066480.db2.gz BLUBLEFNMSCQGJ-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP CC[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615278311 492084382 /nfs/dbraw/zinc/08/43/82/492084382.db2.gz DIUUMXCNTPGPOX-MSOLQXFVSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615278311 492084384 /nfs/dbraw/zinc/08/43/84/492084384.db2.gz DIUUMXCNTPGPOX-MSOLQXFVSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615278311 492084386 /nfs/dbraw/zinc/08/43/86/492084386.db2.gz DIUUMXCNTPGPOX-MSOLQXFVSA-N 2 2 352.523 0.582 20 0 FCADLP CC[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615278311 492084387 /nfs/dbraw/zinc/08/43/87/492084387.db2.gz DIUUMXCNTPGPOX-MSOLQXFVSA-N 2 2 352.523 0.582 20 0 FCADLP O=C(NCCC[NH+]1CCCC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616020193 492115147 /nfs/dbraw/zinc/11/51/47/492115147.db2.gz QVDAOZOMESBZLN-UHFFFAOYSA-N 2 2 361.494 0.384 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccn4nnnc4c3)CC2)CC1 ZINC000616381482 492128540 /nfs/dbraw/zinc/12/85/40/492128540.db2.gz RTJBAQGLMAFEQC-UHFFFAOYSA-N 2 2 357.462 0.757 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccn4nnnc4c3)CC2)CC1 ZINC000616381482 492128541 /nfs/dbraw/zinc/12/85/41/492128541.db2.gz RTJBAQGLMAFEQC-UHFFFAOYSA-N 2 2 357.462 0.757 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000616780910 492143556 /nfs/dbraw/zinc/14/35/56/492143556.db2.gz BTTVAERJOSFZJL-HZPDHXFCSA-N 2 2 358.446 0.482 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000654452480 492306078 /nfs/dbraw/zinc/30/60/78/492306078.db2.gz TWPNZSPADSGORF-CKEIUWERSA-N 2 2 360.462 0.523 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000654452480 492306080 /nfs/dbraw/zinc/30/60/80/492306080.db2.gz TWPNZSPADSGORF-CKEIUWERSA-N 2 2 360.462 0.523 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)([NH+]2CCOCC2)C1 ZINC000641819903 492309253 /nfs/dbraw/zinc/30/92/53/492309253.db2.gz IRRZFZQAXRUTTR-UHFFFAOYSA-N 2 2 368.522 0.992 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)([NH+]2CCOCC2)C1 ZINC000641819903 492309257 /nfs/dbraw/zinc/30/92/57/492309257.db2.gz IRRZFZQAXRUTTR-UHFFFAOYSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473968 492311378 /nfs/dbraw/zinc/31/13/78/492311378.db2.gz ARIRBWOBARQSQH-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473968 492311380 /nfs/dbraw/zinc/31/13/80/492311380.db2.gz ARIRBWOBARQSQH-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[NH2+]1 ZINC000627478727 492316131 /nfs/dbraw/zinc/31/61/31/492316131.db2.gz RCDFNVHWENYWCW-IRXDYDNUSA-N 2 2 374.485 0.466 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647567618 492316462 /nfs/dbraw/zinc/31/64/62/492316462.db2.gz ZLBMLNNNBAMUSD-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567618 492316466 /nfs/dbraw/zinc/31/64/66/492316466.db2.gz ZLBMLNNNBAMUSD-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641841034 492318455 /nfs/dbraw/zinc/31/84/55/492318455.db2.gz JJYPJHDANTZYSU-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641841034 492318458 /nfs/dbraw/zinc/31/84/58/492318458.db2.gz JJYPJHDANTZYSU-HNNXBMFYSA-N 2 2 350.467 0.348 20 0 FCADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H](C)S(C)(=O)=O ZINC000634194720 492324826 /nfs/dbraw/zinc/32/48/26/492324826.db2.gz WZJZGFGPKSVVAE-OLZOCXBDSA-N 2 2 354.476 0.841 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@]34CCC(=O)N3CCS4)c2)CC1 ZINC000634197930 492326029 /nfs/dbraw/zinc/32/60/29/492326029.db2.gz NJJOHPGEGXWJRR-QGZVFWFLSA-N 2 2 361.471 0.837 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CSc3nnnn3C3CC3)c2)CC1 ZINC000634197939 492326438 /nfs/dbraw/zinc/32/64/38/492326438.db2.gz NLSCCDAJBPNJEZ-UHFFFAOYSA-N 2 2 374.474 0.886 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000634303053 492335774 /nfs/dbraw/zinc/33/57/74/492335774.db2.gz DTLOTZMCZXRWTJ-MRXNPFEDSA-N 2 2 361.515 0.641 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000634303053 492335778 /nfs/dbraw/zinc/33/57/78/492335778.db2.gz DTLOTZMCZXRWTJ-MRXNPFEDSA-N 2 2 361.515 0.641 20 0 FCADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651143 492341184 /nfs/dbraw/zinc/34/11/84/492341184.db2.gz BAZZJRJZIZPRCN-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651143 492341186 /nfs/dbraw/zinc/34/11/86/492341186.db2.gz BAZZJRJZIZPRCN-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000654701265 492341670 /nfs/dbraw/zinc/34/16/70/492341670.db2.gz KSKDWGHNPFNASC-CKEIUWERSA-N 2 2 362.478 0.912 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642211889 492342073 /nfs/dbraw/zinc/34/20/73/492342073.db2.gz IQZUAMKMQBUOBO-SUMWQHHRSA-N 2 2 373.457 0.426 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654729795 492344211 /nfs/dbraw/zinc/34/42/11/492344211.db2.gz JVPBDGNUSWQKBV-GVDBMIGSSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654729795 492344214 /nfs/dbraw/zinc/34/42/14/492344214.db2.gz JVPBDGNUSWQKBV-GVDBMIGSSA-N 2 2 354.495 0.338 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654738300 492345166 /nfs/dbraw/zinc/34/51/66/492345166.db2.gz YKIJEASELFOWCG-ZWKOTPCHSA-N 2 2 368.522 0.994 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654738300 492345170 /nfs/dbraw/zinc/34/51/70/492345170.db2.gz YKIJEASELFOWCG-ZWKOTPCHSA-N 2 2 368.522 0.994 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[NH2+]1 ZINC000642337438 492352341 /nfs/dbraw/zinc/35/23/41/492352341.db2.gz CKYACYWLVDMOMJ-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000642337456 492352930 /nfs/dbraw/zinc/35/29/30/492352930.db2.gz JFYHVMMOOZXICS-VQHPVUNQSA-N 2 2 366.506 0.332 20 0 FCADLP CN1C(=O)N[C@]2(CC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000634643526 492357334 /nfs/dbraw/zinc/35/73/34/492357334.db2.gz DGXSMMIUXAMQPT-OALUTQOASA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@]2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643526 492357336 /nfs/dbraw/zinc/35/73/36/492357336.db2.gz DGXSMMIUXAMQPT-OALUTQOASA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@]2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643526 492357338 /nfs/dbraw/zinc/35/73/38/492357338.db2.gz DGXSMMIUXAMQPT-OALUTQOASA-N 2 2 358.442 0.250 20 0 FCADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)C2)CC1 ZINC000621252741 492364449 /nfs/dbraw/zinc/36/44/49/492364449.db2.gz ATFSIHZOPRALML-AWEZNQCLSA-N 2 2 359.478 0.774 20 0 FCADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)C2)CC1 ZINC000621252741 492364452 /nfs/dbraw/zinc/36/44/52/492364452.db2.gz ATFSIHZOPRALML-AWEZNQCLSA-N 2 2 359.478 0.774 20 0 FCADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)C2)CC1 ZINC000621252742 492364782 /nfs/dbraw/zinc/36/47/82/492364782.db2.gz ATFSIHZOPRALML-CQSZACIVSA-N 2 2 359.478 0.774 20 0 FCADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(=O)n4nc(N)[nH]c4n3)C2)CC1 ZINC000621252742 492364784 /nfs/dbraw/zinc/36/47/84/492364784.db2.gz ATFSIHZOPRALML-CQSZACIVSA-N 2 2 359.478 0.774 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)[nH+]c12 ZINC000642638787 492368325 /nfs/dbraw/zinc/36/83/25/492368325.db2.gz CCLJSSUIDXJRRJ-GOEBONIOSA-N 2 2 355.442 0.512 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])[nH+]c12 ZINC000642638791 492368466 /nfs/dbraw/zinc/36/84/66/492368466.db2.gz CIGRJDDFECFHNP-CJNGLKHVSA-N 2 2 357.458 0.887 20 0 FCADLP COc1cc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc(OC)c1OC ZINC000647834771 492368944 /nfs/dbraw/zinc/36/89/44/492368944.db2.gz RSZLVNLRTSJJQI-UHFFFAOYSA-N 2 2 366.462 0.488 20 0 FCADLP COc1cc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc(OC)c1OC ZINC000647834771 492368947 /nfs/dbraw/zinc/36/89/47/492368947.db2.gz RSZLVNLRTSJJQI-UHFFFAOYSA-N 2 2 366.462 0.488 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[C@@H]1[NH3+] ZINC000642687073 492373334 /nfs/dbraw/zinc/37/33/34/492373334.db2.gz IHWJYRGIZRFQLW-HOTGVXAUSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3nc[nH+]c4c3OCCN4)CC2)C1 ZINC000647867717 492373815 /nfs/dbraw/zinc/37/38/15/492373815.db2.gz SQGGTGXEJOXKKP-OAHLLOKOSA-N 2 2 362.478 0.512 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nc[nH+]c4c3OCCN4)CC2)C1 ZINC000647867717 492373817 /nfs/dbraw/zinc/37/38/17/492373817.db2.gz SQGGTGXEJOXKKP-OAHLLOKOSA-N 2 2 362.478 0.512 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(CC(N)=O)cc2)CC1 ZINC000642715998 492379115 /nfs/dbraw/zinc/37/91/15/492379115.db2.gz RFIXADXLFWGAKT-UHFFFAOYSA-N 2 2 361.490 0.540 20 0 FCADLP O=C(NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)C(=O)NC1C[NH2+]C1 ZINC000642721989 492379549 /nfs/dbraw/zinc/37/95/49/492379549.db2.gz NKFOMFZSIHNQNZ-UHFFFAOYSA-N 2 2 365.437 0.349 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926641 492383746 /nfs/dbraw/zinc/38/37/46/492383746.db2.gz HUEDGXOFYYIHNE-GFCCVEGCSA-N 2 2 366.487 0.425 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000647960164 492387895 /nfs/dbraw/zinc/38/78/95/492387895.db2.gz JKHCBBYOWLJNPZ-LJQANCHMSA-N 2 2 374.529 0.894 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000647960164 492387896 /nfs/dbraw/zinc/38/78/96/492387896.db2.gz JKHCBBYOWLJNPZ-LJQANCHMSA-N 2 2 374.529 0.894 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000627794568 492388731 /nfs/dbraw/zinc/38/87/31/492388731.db2.gz HKPRFNAOTPJALW-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000627794568 492388733 /nfs/dbraw/zinc/38/87/33/492388733.db2.gz HKPRFNAOTPJALW-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778872 492389014 /nfs/dbraw/zinc/38/90/14/492389014.db2.gz OLCQPPZKMPVIJO-GJZGRUSLSA-N 2 2 359.474 0.815 20 0 FCADLP [NH3+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642891454 492397401 /nfs/dbraw/zinc/39/74/01/492397401.db2.gz CCZGGHYDBHUONT-UHFFFAOYSA-N 2 2 358.364 0.425 20 0 FCADLP C[C@@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)NCC[NH+](C)C ZINC000655081084 492401077 /nfs/dbraw/zinc/40/10/77/492401077.db2.gz BWDKFJGUKWRYNZ-GHMZBOCLSA-N 2 2 363.384 0.639 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000621686867 492404426 /nfs/dbraw/zinc/40/44/26/492404426.db2.gz ZCPCTOGLDOJTIF-JXFKEZNVSA-N 2 2 371.485 0.850 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000642944123 492405366 /nfs/dbraw/zinc/40/53/66/492405366.db2.gz QMATYESGXGCFKF-SJORKVTESA-N 2 2 366.506 0.333 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000642944121 492405394 /nfs/dbraw/zinc/40/53/94/492405394.db2.gz QMATYESGXGCFKF-IAGOWNOFSA-N 2 2 366.506 0.333 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000642960357 492407492 /nfs/dbraw/zinc/40/74/92/492407492.db2.gz BGKSIOJHGGBPBU-KRWDZBQOSA-N 2 2 374.485 0.501 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642974863 492409330 /nfs/dbraw/zinc/40/93/30/492409330.db2.gz CPFHLPBQTSOXHZ-INIZCTEOSA-N 3 2 367.538 0.247 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642974863 492409333 /nfs/dbraw/zinc/40/93/33/492409333.db2.gz CPFHLPBQTSOXHZ-INIZCTEOSA-N 3 2 367.538 0.247 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642988412 492411849 /nfs/dbraw/zinc/41/18/49/492411849.db2.gz WINUTCNHSBKQOZ-RDJZCZTQSA-N 3 2 367.538 0.247 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642988412 492411854 /nfs/dbraw/zinc/41/18/54/492411854.db2.gz WINUTCNHSBKQOZ-RDJZCZTQSA-N 3 2 367.538 0.247 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)C2 ZINC000621837462 492420624 /nfs/dbraw/zinc/42/06/24/492420624.db2.gz IPMZGNPLJREKFP-HNAYVOBHSA-N 2 2 353.426 0.828 20 0 FCADLP O[C@]1(Cn2ccnn2)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643252626 492435490 /nfs/dbraw/zinc/43/54/90/492435490.db2.gz AYQCXLRHSVOCLT-LJQANCHMSA-N 2 2 357.458 0.747 20 0 FCADLP O[C@]1(Cn2ccnn2)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643252626 492435492 /nfs/dbraw/zinc/43/54/92/492435492.db2.gz AYQCXLRHSVOCLT-LJQANCHMSA-N 2 2 357.458 0.747 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000622025474 492441718 /nfs/dbraw/zinc/44/17/18/492441718.db2.gz QRAJZZOKOOZBJG-QAPCUYQASA-N 2 2 362.499 0.732 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622025896 492442149 /nfs/dbraw/zinc/44/21/49/492442149.db2.gz YTHYJCGJGUMZQG-NQIIRXRSSA-N 2 2 370.497 0.979 20 0 FCADLP Cc1nc[nH]c1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000635531251 492465381 /nfs/dbraw/zinc/46/53/81/492465381.db2.gz RTJSRKAMJCOQSC-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP CN(C(=O)[C@H]1CCCCN(C)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552965 492469825 /nfs/dbraw/zinc/46/98/25/492469825.db2.gz WTJDJVXIVNHGIY-IRXDYDNUSA-N 2 2 350.507 0.872 20 0 FCADLP CN(C(=O)[C@H]1CCCCN(C)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552965 492469827 /nfs/dbraw/zinc/46/98/27/492469827.db2.gz WTJDJVXIVNHGIY-IRXDYDNUSA-N 2 2 350.507 0.872 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000643478363 492473994 /nfs/dbraw/zinc/47/39/94/492473994.db2.gz MFMKTJBLBJDHPQ-CGTJXYLNSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000643478363 492473997 /nfs/dbraw/zinc/47/39/97/492473997.db2.gz MFMKTJBLBJDHPQ-CGTJXYLNSA-N 2 2 356.470 0.712 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643477172 492474647 /nfs/dbraw/zinc/47/46/47/492474647.db2.gz SNKLOUPMHHGIJI-OALUTQOASA-N 2 2 370.497 0.850 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000643481063 492476809 /nfs/dbraw/zinc/47/68/09/492476809.db2.gz KXXJIJSEBTUXRI-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000655709975 492478231 /nfs/dbraw/zinc/47/82/31/492478231.db2.gz QWGDDDNMYKLQRG-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709975 492478235 /nfs/dbraw/zinc/47/82/35/492478235.db2.gz QWGDDDNMYKLQRG-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000655709975 492478239 /nfs/dbraw/zinc/47/82/39/492478239.db2.gz QWGDDDNMYKLQRG-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709975 492478242 /nfs/dbraw/zinc/47/82/42/492478242.db2.gz QWGDDDNMYKLQRG-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000655709974 492478440 /nfs/dbraw/zinc/47/84/40/492478440.db2.gz QWGDDDNMYKLQRG-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709974 492478443 /nfs/dbraw/zinc/47/84/43/492478443.db2.gz QWGDDDNMYKLQRG-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000655709974 492478448 /nfs/dbraw/zinc/47/84/48/492478448.db2.gz QWGDDDNMYKLQRG-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709974 492478453 /nfs/dbraw/zinc/47/84/53/492478453.db2.gz QWGDDDNMYKLQRG-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563167 492498883 /nfs/dbraw/zinc/49/88/83/492498883.db2.gz KRURXQGQESLZBI-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563167 492498887 /nfs/dbraw/zinc/49/88/87/492498887.db2.gz KRURXQGQESLZBI-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000628475952 492502943 /nfs/dbraw/zinc/50/29/43/492502943.db2.gz OSPDLWCNDXZNTP-UHFFFAOYSA-N 2 2 350.463 0.161 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649277520 492517873 /nfs/dbraw/zinc/51/78/73/492517873.db2.gz BVIQDHQCUKMTPB-SJORKVTESA-N 2 2 370.457 0.443 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649277520 492517875 /nfs/dbraw/zinc/51/78/75/492517875.db2.gz BVIQDHQCUKMTPB-SJORKVTESA-N 2 2 370.457 0.443 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)cc1F ZINC000649280357 492520464 /nfs/dbraw/zinc/52/04/64/492520464.db2.gz HALINWCOJJYTJG-OAHLLOKOSA-N 2 2 351.422 0.715 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)CCC(C)(C)[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000649301125 492526185 /nfs/dbraw/zinc/52/61/85/492526185.db2.gz HAZUOAOPERQQJI-ZBFHGGJFSA-N 2 2 356.511 0.483 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000649300336 492526341 /nfs/dbraw/zinc/52/63/41/492526341.db2.gz HYNFWHULGBCHIJ-DOTOQJQBSA-N 2 2 367.413 0.804 20 0 FCADLP O=C(Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649352143 492545829 /nfs/dbraw/zinc/54/58/29/492545829.db2.gz WAEAABAWGLQUTJ-UOIKSKOESA-N 2 2 355.442 0.842 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C2CC[NH+](C)CC2)[C@H]1c1[nH+]ccn1C ZINC000623353802 492547150 /nfs/dbraw/zinc/54/71/50/492547150.db2.gz WEYNDGNLXNNBAE-HOTGVXAUSA-N 2 2 363.462 0.261 20 0 FCADLP CNC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(C)C ZINC000649366675 492548449 /nfs/dbraw/zinc/54/84/49/492548449.db2.gz OOMHEKQJGZLVSP-IRXDYDNUSA-N 2 2 357.458 0.688 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000649410518 492551738 /nfs/dbraw/zinc/55/17/38/492551738.db2.gz GSOARMITEWNQSN-CRAIPNDOSA-N 2 2 362.474 0.505 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000623414379 492552005 /nfs/dbraw/zinc/55/20/05/492552005.db2.gz BUDYMVLDUACMEL-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](Cc3cccnc3)CC2)cnn1C ZINC000643774174 492554868 /nfs/dbraw/zinc/55/48/68/492554868.db2.gz OXPTWVZVVPSADI-MOPGFXCFSA-N 2 2 368.485 0.771 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485742 492559917 /nfs/dbraw/zinc/55/99/17/492559917.db2.gz ZBBRHHVWLQAJDD-SJORKVTESA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485742 492559922 /nfs/dbraw/zinc/55/99/22/492559922.db2.gz ZBBRHHVWLQAJDD-SJORKVTESA-N 2 2 366.506 0.014 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643788358 492560098 /nfs/dbraw/zinc/56/00/98/492560098.db2.gz WRBHHUVQHOGNKW-KRWDZBQOSA-N 2 2 360.458 0.525 20 0 FCADLP C[N@@H+]1CC[C@](N)(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799365 492564712 /nfs/dbraw/zinc/56/47/12/492564712.db2.gz ZVTBKPSIQIDSLI-DNVCBOLYSA-N 2 2 359.474 0.695 20 0 FCADLP C[N@H+]1CC[C@](N)(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000643799365 492564716 /nfs/dbraw/zinc/56/47/16/492564716.db2.gz ZVTBKPSIQIDSLI-DNVCBOLYSA-N 2 2 359.474 0.695 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656284391 492568956 /nfs/dbraw/zinc/56/89/56/492568956.db2.gz QTQKABHUFHCHGM-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000656284391 492568959 /nfs/dbraw/zinc/56/89/59/492568959.db2.gz QTQKABHUFHCHGM-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CCOC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638970 492577382 /nfs/dbraw/zinc/57/73/82/492577382.db2.gz ZLALQUXVOUUQJD-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CCOC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638970 492577387 /nfs/dbraw/zinc/57/73/87/492577387.db2.gz ZLALQUXVOUUQJD-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000636315605 492580390 /nfs/dbraw/zinc/58/03/90/492580390.db2.gz NENQHTZCGLXGKV-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000636315605 492580391 /nfs/dbraw/zinc/58/03/91/492580391.db2.gz NENQHTZCGLXGKV-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[NH+](C(C)C)CC2)[C@H]1c1[nH+]ccn1C ZINC000623909216 492605721 /nfs/dbraw/zinc/60/57/21/492605721.db2.gz LNYVGOGIMSXSBZ-HOTGVXAUSA-N 2 2 363.462 0.261 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356843 492611257 /nfs/dbraw/zinc/61/12/57/492611257.db2.gz HIYBOQZCHFJROY-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356843 492611260 /nfs/dbraw/zinc/61/12/60/492611260.db2.gz HIYBOQZCHFJROY-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)c[nH+]2)CCO1 ZINC000636540513 492615524 /nfs/dbraw/zinc/61/55/24/492615524.db2.gz VVJMODZFOVQLOE-HOCLYGCPSA-N 2 2 363.462 0.173 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)c[nH+]2)CCO1 ZINC000636540513 492615527 /nfs/dbraw/zinc/61/55/27/492615527.db2.gz VVJMODZFOVQLOE-HOCLYGCPSA-N 2 2 363.462 0.173 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000650231189 492623665 /nfs/dbraw/zinc/62/36/65/492623665.db2.gz GTWIPBACDSYCEX-UHFFFAOYSA-N 2 2 368.482 0.257 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@H](C4CC[NH2+]CC4)C3)[nH+]cn2)CC1=O ZINC000656609419 492636285 /nfs/dbraw/zinc/63/62/85/492636285.db2.gz OORHMZRZQJXCQF-INIZCTEOSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@H](C4CC[NH2+]CC4)C3)nc[nH+]2)CC1=O ZINC000656609419 492636289 /nfs/dbraw/zinc/63/62/89/492636289.db2.gz OORHMZRZQJXCQF-INIZCTEOSA-N 2 2 358.490 0.971 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000656694500 492642349 /nfs/dbraw/zinc/64/23/49/492642349.db2.gz QJIHDXBPTKXQRP-GOSISDBHSA-N 2 2 354.539 0.708 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000656694500 492642353 /nfs/dbraw/zinc/64/23/53/492642353.db2.gz QJIHDXBPTKXQRP-GOSISDBHSA-N 2 2 354.539 0.708 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699697 492643592 /nfs/dbraw/zinc/64/35/92/492643592.db2.gz SWOZXTBRLSNZAE-HZPDHXFCSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699697 492643594 /nfs/dbraw/zinc/64/35/94/492643594.db2.gz SWOZXTBRLSNZAE-HZPDHXFCSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000656699697 492643596 /nfs/dbraw/zinc/64/35/96/492643596.db2.gz SWOZXTBRLSNZAE-HZPDHXFCSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000656699697 492643598 /nfs/dbraw/zinc/64/35/98/492643598.db2.gz SWOZXTBRLSNZAE-HZPDHXFCSA-N 2 2 369.510 0.986 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561737 492645358 /nfs/dbraw/zinc/64/53/58/492645358.db2.gz ZCZORRHYDHXAQN-PMACEKPBSA-N 3 2 374.529 0.930 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561737 492645360 /nfs/dbraw/zinc/64/53/60/492645360.db2.gz ZCZORRHYDHXAQN-PMACEKPBSA-N 3 2 374.529 0.930 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000629568570 492647159 /nfs/dbraw/zinc/64/71/59/492647159.db2.gz UHPMISWHFLWQNG-QWHCGFSZSA-N 2 2 364.412 0.574 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000629568570 492647163 /nfs/dbraw/zinc/64/71/63/492647163.db2.gz UHPMISWHFLWQNG-QWHCGFSZSA-N 2 2 364.412 0.574 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000650558931 492650631 /nfs/dbraw/zinc/65/06/31/492650631.db2.gz HMZHMWMLIKEADD-INIZCTEOSA-N 2 2 368.478 0.873 20 0 FCADLP O=S1(=O)CCCN1c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629573535 492651268 /nfs/dbraw/zinc/65/12/68/492651268.db2.gz JIGPUDMXTNLOMG-QGZVFWFLSA-N 2 2 353.488 0.773 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000636665715 492654125 /nfs/dbraw/zinc/65/41/25/492654125.db2.gz PRQQSLKPYUQPJX-KRWDZBQOSA-N 2 2 359.474 0.641 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000636665715 492654127 /nfs/dbraw/zinc/65/41/27/492654127.db2.gz PRQQSLKPYUQPJX-KRWDZBQOSA-N 2 2 359.474 0.641 20 0 FCADLP O=C(CC[NH2+]CC[N@H+]1CC[C@H](O)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000629617188 492659900 /nfs/dbraw/zinc/65/99/00/492659900.db2.gz GSEDCVQWWRMYBW-KRWDZBQOSA-N 2 2 360.458 0.798 20 0 FCADLP O=C(CC[NH2+]CC[N@@H+]1CC[C@H](O)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000629617188 492659908 /nfs/dbraw/zinc/65/99/08/492659908.db2.gz GSEDCVQWWRMYBW-KRWDZBQOSA-N 2 2 360.458 0.798 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636707992 492667745 /nfs/dbraw/zinc/66/77/45/492667745.db2.gz ZUUQVVUOVPUSHB-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636707992 492667748 /nfs/dbraw/zinc/66/77/48/492667748.db2.gz ZUUQVVUOVPUSHB-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000650841689 492674031 /nfs/dbraw/zinc/67/40/31/492674031.db2.gz VVGSZEZAMPMFIN-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000650865630 492677482 /nfs/dbraw/zinc/67/74/82/492677482.db2.gz FEDZBOBESGHMHT-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000650865630 492677487 /nfs/dbraw/zinc/67/74/87/492677487.db2.gz FEDZBOBESGHMHT-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650865630 492677490 /nfs/dbraw/zinc/67/74/90/492677490.db2.gz FEDZBOBESGHMHT-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650865630 492677492 /nfs/dbraw/zinc/67/74/92/492677492.db2.gz FEDZBOBESGHMHT-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@@]3(O)CCCOC3)C2)CC1 ZINC000650876728 492679474 /nfs/dbraw/zinc/67/94/74/492679474.db2.gz FBFVGIOCLUSREK-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@@]3(O)CCCOC3)C2)CC1 ZINC000650876728 492679476 /nfs/dbraw/zinc/67/94/76/492679476.db2.gz FBFVGIOCLUSREK-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000629810800 492683868 /nfs/dbraw/zinc/68/38/68/492683868.db2.gz BDZXLUYHNRJEGQ-MRXNPFEDSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000629812200 492685441 /nfs/dbraw/zinc/68/54/41/492685441.db2.gz MVHRGGHMDIKDHC-MRXNPFEDSA-N 2 2 364.515 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC[N@@H+]1CCOC ZINC000629815854 492685575 /nfs/dbraw/zinc/68/55/75/492685575.db2.gz RPLMDKYKXMWOTR-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC[N@H+]1CCOC ZINC000629815854 492685578 /nfs/dbraw/zinc/68/55/78/492685578.db2.gz RPLMDKYKXMWOTR-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[C@@H]1C(F)(F)F ZINC000629814476 492685730 /nfs/dbraw/zinc/68/57/30/492685730.db2.gz SGTHSAVFXLKTOW-JQWIXIFHSA-N 2 2 359.352 0.211 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC[N@@H+]1CCOC ZINC000629815862 492686257 /nfs/dbraw/zinc/68/62/57/492686257.db2.gz RPLMDKYKXMWOTR-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC[N@H+]1CCOC ZINC000629815862 492686259 /nfs/dbraw/zinc/68/62/59/492686259.db2.gz RPLMDKYKXMWOTR-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCN(C)C1=O ZINC000636791226 492693920 /nfs/dbraw/zinc/69/39/20/492693920.db2.gz DVHMBVSTAZEMSI-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCN(C)C1=O ZINC000636791226 492693926 /nfs/dbraw/zinc/69/39/26/492693926.db2.gz DVHMBVSTAZEMSI-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC2CC[NH+](C)CC2)[C@H]1c1[nH+]ccn1C ZINC000625044958 492715537 /nfs/dbraw/zinc/71/55/37/492715537.db2.gz XXJQEFGCHISTJL-HOTGVXAUSA-N 2 2 363.462 0.167 20 0 FCADLP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636911738 492726732 /nfs/dbraw/zinc/72/67/32/492726732.db2.gz BUTDXYBPEBPYCH-HDMKZQKVSA-N 2 2 354.495 0.242 20 0 FCADLP CC[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636911738 492726737 /nfs/dbraw/zinc/72/67/37/492726737.db2.gz BUTDXYBPEBPYCH-HDMKZQKVSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](C)[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000636911738 492726741 /nfs/dbraw/zinc/72/67/41/492726741.db2.gz BUTDXYBPEBPYCH-HDMKZQKVSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](C)[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000636911738 492726746 /nfs/dbraw/zinc/72/67/46/492726746.db2.gz BUTDXYBPEBPYCH-HDMKZQKVSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(n4cnnn4)CCCCC3)C2)CC1 ZINC000651322208 492742661 /nfs/dbraw/zinc/74/26/61/492742661.db2.gz IJSYHYKKXSRKGV-OAHLLOKOSA-N 2 2 361.494 0.617 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(n4cnnn4)CCCCC3)C2)CC1 ZINC000651322208 492742664 /nfs/dbraw/zinc/74/26/64/492742664.db2.gz IJSYHYKKXSRKGV-OAHLLOKOSA-N 2 2 361.494 0.617 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644442826 492755249 /nfs/dbraw/zinc/75/52/49/492755249.db2.gz NBVGHNSXMGJEKE-VQHPVUNQSA-N 2 2 359.474 0.947 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644442826 492755254 /nfs/dbraw/zinc/75/52/54/492755254.db2.gz NBVGHNSXMGJEKE-VQHPVUNQSA-N 2 2 359.474 0.947 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000644447214 492757643 /nfs/dbraw/zinc/75/76/43/492757643.db2.gz UEVIGXSALMRWSZ-CVEARBPZSA-N 2 2 364.494 0.907 20 0 FCADLP CN(C(=O)NCC[C@]1(O)CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651444396 492758763 /nfs/dbraw/zinc/75/87/63/492758763.db2.gz HLTXDPCWSBPXHF-PKOBYXMFSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C(=O)NCC[C@]1(O)CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651444396 492758766 /nfs/dbraw/zinc/75/87/66/492758766.db2.gz HLTXDPCWSBPXHF-PKOBYXMFSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@H](CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)n1cc[nH+]c1 ZINC000651460866 492761608 /nfs/dbraw/zinc/76/16/08/492761608.db2.gz ATKOEPPZGMQDEA-HUUCEWRRSA-N 2 2 356.492 0.802 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cn1 ZINC000630703011 492767118 /nfs/dbraw/zinc/76/71/18/492767118.db2.gz LDFVUQTVPSMNRS-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000657648374 492770436 /nfs/dbraw/zinc/77/04/36/492770436.db2.gz JZLZXBVAXVWEOR-MRXNPFEDSA-N 2 2 353.426 0.891 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)cc2[nH+]1 ZINC000657650779 492771625 /nfs/dbraw/zinc/77/16/25/492771625.db2.gz VXBCDOCAYXNSLH-CQSZACIVSA-N 2 2 372.473 0.581 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000630809355 492775884 /nfs/dbraw/zinc/77/58/84/492775884.db2.gz ZGOOZJWCMBPDAO-KRWDZBQOSA-N 2 2 367.519 0.382 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)cc2[nH+]1 ZINC000657698554 492778166 /nfs/dbraw/zinc/77/81/66/492778166.db2.gz QIUXLXLDQBVYIK-UHFFFAOYSA-N 2 2 371.441 0.904 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@@H](C)O1 ZINC000644515744 492780456 /nfs/dbraw/zinc/78/04/56/492780456.db2.gz YSYIVBWBESWCEL-RKVPGOIHSA-N 2 2 365.474 0.944 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000630919589 492784358 /nfs/dbraw/zinc/78/43/58/492784358.db2.gz BEMVOOYSGDYYOG-UHFFFAOYSA-N 2 2 361.450 0.226 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657738160 492786328 /nfs/dbraw/zinc/78/63/28/492786328.db2.gz HOHQHSMRJJCCRN-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000644582003 492787608 /nfs/dbraw/zinc/78/76/08/492787608.db2.gz QHOOIJCNSBZIHN-RBUKOAKNSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000644582003 492787615 /nfs/dbraw/zinc/78/76/15/492787615.db2.gz QHOOIJCNSBZIHN-RBUKOAKNSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000644582004 492788166 /nfs/dbraw/zinc/78/81/66/492788166.db2.gz QHOOIJCNSBZIHN-RTBURBONSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000644582004 492788169 /nfs/dbraw/zinc/78/81/69/492788169.db2.gz QHOOIJCNSBZIHN-RTBURBONSA-N 2 2 361.486 0.849 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750182 492790281 /nfs/dbraw/zinc/79/02/81/492790281.db2.gz CIWZBFUYAVXCIM-QGZVFWFLSA-N 2 2 363.506 0.908 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000637217447 492791862 /nfs/dbraw/zinc/79/18/62/492791862.db2.gz UTDWQNMLXRPWRL-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000637217447 492791865 /nfs/dbraw/zinc/79/18/65/492791865.db2.gz UTDWQNMLXRPWRL-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637217447 492791868 /nfs/dbraw/zinc/79/18/68/492791868.db2.gz UTDWQNMLXRPWRL-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637217447 492791873 /nfs/dbraw/zinc/79/18/73/492791873.db2.gz UTDWQNMLXRPWRL-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631035797 492793554 /nfs/dbraw/zinc/79/35/54/492793554.db2.gz QSLJWGORLTVVCG-MRXNPFEDSA-N 2 2 354.472 0.674 20 0 FCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1S(N)(=O)=O ZINC000644633869 492794311 /nfs/dbraw/zinc/79/43/11/492794311.db2.gz UOYYZNZIELDTOK-FMKPAKJESA-N 2 2 371.503 0.202 20 0 FCADLP COCCc1ncc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000631074133 492797406 /nfs/dbraw/zinc/79/74/06/492797406.db2.gz ZQGIOZKXPLOPCD-OAHLLOKOSA-N 2 2 354.520 0.828 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262452 492801266 /nfs/dbraw/zinc/80/12/66/492801266.db2.gz FNWHEMBEWVYMCR-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262452 492801269 /nfs/dbraw/zinc/80/12/69/492801269.db2.gz FNWHEMBEWVYMCR-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000637262452 492801273 /nfs/dbraw/zinc/80/12/73/492801273.db2.gz FNWHEMBEWVYMCR-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000637262452 492801275 /nfs/dbraw/zinc/80/12/75/492801275.db2.gz FNWHEMBEWVYMCR-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637261124 492801336 /nfs/dbraw/zinc/80/13/36/492801336.db2.gz QGVSVVFSOGBQGJ-SFHVURJKSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000637261124 492801339 /nfs/dbraw/zinc/80/13/39/492801339.db2.gz QGVSVVFSOGBQGJ-SFHVURJKSA-N 2 2 368.522 0.849 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000637260827 492801614 /nfs/dbraw/zinc/80/16/14/492801614.db2.gz SPZNSYVOOXPTSK-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000637260827 492801617 /nfs/dbraw/zinc/80/16/17/492801617.db2.gz SPZNSYVOOXPTSK-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000637260827 492801619 /nfs/dbraw/zinc/80/16/19/492801619.db2.gz SPZNSYVOOXPTSK-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000637260827 492801622 /nfs/dbraw/zinc/80/16/22/492801622.db2.gz SPZNSYVOOXPTSK-BEFAXECRSA-N 2 2 368.522 0.774 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631277203 492808337 /nfs/dbraw/zinc/80/83/37/492808337.db2.gz WPNPCTBSGGRMDK-UHFFFAOYSA-N 3 2 350.511 0.543 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631277203 492808338 /nfs/dbraw/zinc/80/83/38/492808338.db2.gz WPNPCTBSGGRMDK-UHFFFAOYSA-N 3 2 350.511 0.543 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520712 492808771 /nfs/dbraw/zinc/80/87/71/492808771.db2.gz WHPQRPZQVPAWEJ-UZLBHIALSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520712 492808772 /nfs/dbraw/zinc/80/87/72/492808772.db2.gz WHPQRPZQVPAWEJ-UZLBHIALSA-N 2 2 362.518 0.968 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000637451358 492834196 /nfs/dbraw/zinc/83/41/96/492834196.db2.gz MHTHGRKEVHOUND-BZUAXINKSA-N 2 2 374.551 0.620 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000637451358 492834201 /nfs/dbraw/zinc/83/42/01/492834201.db2.gz MHTHGRKEVHOUND-BZUAXINKSA-N 2 2 374.551 0.620 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000658146531 492844794 /nfs/dbraw/zinc/84/47/94/492844794.db2.gz PLPAOKKKCHKMBM-OAHLLOKOSA-N 2 2 359.474 0.823 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000658179342 492845961 /nfs/dbraw/zinc/84/59/61/492845961.db2.gz UYQKEWCUHHHWCZ-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)nn1 ZINC000631847276 492862376 /nfs/dbraw/zinc/86/23/76/492862376.db2.gz QUCCCMKFIRUZKC-GDBMZVCRSA-N 2 2 356.430 0.624 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)nn1 ZINC000631847276 492862378 /nfs/dbraw/zinc/86/23/78/492862378.db2.gz QUCCCMKFIRUZKC-GDBMZVCRSA-N 2 2 356.430 0.624 20 0 FCADLP CS(=O)(=O)N(CC[NH+]1CCC([NH2+]CCO)CC1)Cc1ccccc1 ZINC000631861914 492865640 /nfs/dbraw/zinc/86/56/40/492865640.db2.gz CEJDMAOGBLNNQG-UHFFFAOYSA-N 2 2 355.504 0.495 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCCN1CCCCCC1=O ZINC000631886847 492869983 /nfs/dbraw/zinc/86/99/83/492869983.db2.gz KEDRLIYOFCGOEI-IAGOWNOFSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCCN1CCCCCC1=O ZINC000631886847 492869985 /nfs/dbraw/zinc/86/99/85/492869985.db2.gz KEDRLIYOFCGOEI-IAGOWNOFSA-N 2 2 350.507 0.969 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@@H](C)CO1 ZINC000658419566 492878228 /nfs/dbraw/zinc/87/82/28/492878228.db2.gz GUKYVVQYOMYTJB-UONOGXRCSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@@H](C)CO1 ZINC000658419566 492878233 /nfs/dbraw/zinc/87/82/33/492878233.db2.gz GUKYVVQYOMYTJB-UONOGXRCSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)[C@@H](C)CO1 ZINC000658419566 492878238 /nfs/dbraw/zinc/87/82/38/492878238.db2.gz GUKYVVQYOMYTJB-UONOGXRCSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)[C@@H](C)CO1 ZINC000658419566 492878243 /nfs/dbraw/zinc/87/82/43/492878243.db2.gz GUKYVVQYOMYTJB-UONOGXRCSA-N 2 2 360.458 0.796 20 0 FCADLP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000645225874 492880477 /nfs/dbraw/zinc/88/04/77/492880477.db2.gz RIDSPTKSBWKKDB-INIZCTEOSA-N 2 2 361.442 0.481 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@@H](c2ccccc2)C1 ZINC000625761858 492882268 /nfs/dbraw/zinc/88/22/68/492882268.db2.gz DXXLXHIPJKUZAQ-MOPGFXCFSA-N 2 2 368.485 0.768 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@@H](c2ccccc2)C1 ZINC000625761858 492882271 /nfs/dbraw/zinc/88/22/71/492882271.db2.gz DXXLXHIPJKUZAQ-MOPGFXCFSA-N 2 2 368.485 0.768 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)C1 ZINC000652182919 492891760 /nfs/dbraw/zinc/89/17/60/492891760.db2.gz HLYZOZGBCNXTRR-BBWFWOEESA-N 2 2 366.506 0.779 20 0 FCADLP C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)c2ccccc2C[NH2+]1 ZINC000631943558 492894091 /nfs/dbraw/zinc/89/40/91/492894091.db2.gz ZOOHNZASVOGGAF-INIZCTEOSA-N 2 2 366.531 0.952 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC000638089816 492903697 /nfs/dbraw/zinc/90/36/97/492903697.db2.gz DPMALVDKLFAYBG-LLVKDONJSA-N 2 2 372.420 0.591 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC000638089816 492903702 /nfs/dbraw/zinc/90/37/02/492903702.db2.gz DPMALVDKLFAYBG-LLVKDONJSA-N 2 2 372.420 0.591 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652276002 492904060 /nfs/dbraw/zinc/90/40/60/492904060.db2.gz CQMJAOFAODXCHY-UHFFFAOYSA-N 2 2 351.426 0.376 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCC[NH+](C)C ZINC000631986957 492904524 /nfs/dbraw/zinc/90/45/24/492904524.db2.gz QZNUHQFHQTYLOI-INIZCTEOSA-N 2 2 369.535 0.463 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(N)nc1N ZINC000638136054 492915634 /nfs/dbraw/zinc/91/56/34/492915634.db2.gz GGRNYOBATRYLPY-UHFFFAOYSA-N 3 2 361.538 0.930 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(N)nc1N ZINC000638136054 492915636 /nfs/dbraw/zinc/91/56/36/492915636.db2.gz GGRNYOBATRYLPY-UHFFFAOYSA-N 3 2 361.538 0.930 20 0 FCADLP C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181181 492920630 /nfs/dbraw/zinc/92/06/30/492920630.db2.gz XJUDZKPIIHPKTB-LPHOPBHVSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181181 492920635 /nfs/dbraw/zinc/92/06/35/492920635.db2.gz XJUDZKPIIHPKTB-LPHOPBHVSA-N 2 2 350.459 0.979 20 0 FCADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000638279409 492928884 /nfs/dbraw/zinc/92/88/84/492928884.db2.gz MSHCTNNXAJALIP-CABCVRRESA-N 2 2 362.478 0.396 20 0 FCADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638279409 492928889 /nfs/dbraw/zinc/92/88/89/492928889.db2.gz MSHCTNNXAJALIP-CABCVRRESA-N 2 2 362.478 0.396 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000638316185 492933606 /nfs/dbraw/zinc/93/36/06/492933606.db2.gz QLFQEKPBPYKWMX-UHFFFAOYSA-N 2 2 353.470 0.916 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638320162 492935027 /nfs/dbraw/zinc/93/50/27/492935027.db2.gz XKSZWUYFLNMBKP-YQQAZPJKSA-N 2 2 353.442 0.169 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638320162 492935031 /nfs/dbraw/zinc/93/50/31/492935031.db2.gz XKSZWUYFLNMBKP-YQQAZPJKSA-N 2 2 353.442 0.169 20 0 FCADLP [NH3+][C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000645596877 492935933 /nfs/dbraw/zinc/93/59/33/492935933.db2.gz VSHRUAHHGLXUPY-SFHVURJKSA-N 2 2 368.485 0.675 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000638487910 492956842 /nfs/dbraw/zinc/95/68/42/492956842.db2.gz CTNCQDQLANOWCB-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000652516369 492958172 /nfs/dbraw/zinc/95/81/72/492958172.db2.gz ACPXRFBGLLVMJP-NVXWUHKLSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000652516369 492958174 /nfs/dbraw/zinc/95/81/74/492958174.db2.gz ACPXRFBGLLVMJP-NVXWUHKLSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000638605014 492964717 /nfs/dbraw/zinc/96/47/17/492964717.db2.gz NLGHDOAPPZXUDC-STQMWFEESA-N 2 2 356.829 0.980 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000638605012 492964877 /nfs/dbraw/zinc/96/48/77/492964877.db2.gz NLGHDOAPPZXUDC-OLZOCXBDSA-N 2 2 356.829 0.980 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638615951 492965781 /nfs/dbraw/zinc/96/57/81/492965781.db2.gz KCMDMSXDWAVNDY-GDBMZVCRSA-N 2 2 350.438 0.441 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)CCOCC[NH3+])CC2 ZINC000638674365 492971428 /nfs/dbraw/zinc/97/14/28/492971428.db2.gz HVACGXCONHVBDZ-UHFFFAOYSA-N 2 2 351.447 0.496 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)CCOCC[NH3+])CC2 ZINC000638674365 492971430 /nfs/dbraw/zinc/97/14/30/492971430.db2.gz HVACGXCONHVBDZ-UHFFFAOYSA-N 2 2 351.447 0.496 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C ZINC000658618268 492981701 /nfs/dbraw/zinc/98/17/01/492981701.db2.gz PLVWVCIORBQLTN-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1C ZINC000658618268 492981705 /nfs/dbraw/zinc/98/17/05/492981705.db2.gz PLVWVCIORBQLTN-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)CC2)C1=O ZINC000638856260 492982611 /nfs/dbraw/zinc/98/26/11/492982611.db2.gz LUJKOFNIHJBNRK-JKSUJKDBSA-N 2 2 366.412 0.776 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC3CC[NH2+]CC3)[nH+]c12 ZINC000652676969 492986989 /nfs/dbraw/zinc/98/69/89/492986989.db2.gz MDXRSHPSOSQLIL-UHFFFAOYSA-N 2 2 357.458 0.807 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632382299 492987334 /nfs/dbraw/zinc/98/73/34/492987334.db2.gz LOCHVLXPPQVPFS-UHFFFAOYSA-N 2 2 365.503 0.271 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCO2)CC1 ZINC000645941209 492990424 /nfs/dbraw/zinc/99/04/24/492990424.db2.gz UGJWTDLAOKVIEH-FPOVZHCZSA-N 2 2 372.513 0.393 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000645955979 492992096 /nfs/dbraw/zinc/99/20/96/492992096.db2.gz QUKAAUSIDIUTRK-FUHWJXTLSA-N 2 2 374.485 0.386 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978115 492995220 /nfs/dbraw/zinc/99/52/20/492995220.db2.gz SHHCDTZFGDAXDJ-AEFFLSMTSA-N 3 2 360.506 0.706 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978115 492995223 /nfs/dbraw/zinc/99/52/23/492995223.db2.gz SHHCDTZFGDAXDJ-AEFFLSMTSA-N 3 2 360.506 0.706 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CC[NH2+]CC1(F)F ZINC000645982867 492996138 /nfs/dbraw/zinc/99/61/38/492996138.db2.gz QERXHJGCEOSYMM-CQSZACIVSA-N 2 2 358.433 0.292 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033873 493003414 /nfs/dbraw/zinc/00/34/14/493003414.db2.gz TZKXLYDNRHYOHZ-MRXNPFEDSA-N 2 2 355.442 1.021 20 0 FCADLP OC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639271296 493004143 /nfs/dbraw/zinc/00/41/43/493004143.db2.gz UIJGSWUIMCUVRK-IEBWSBKVSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639271296 493004147 /nfs/dbraw/zinc/00/41/47/493004147.db2.gz UIJGSWUIMCUVRK-IEBWSBKVSA-N 2 2 350.459 0.573 20 0 FCADLP [NH3+]Cc1nnnn1CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000646077370 493010964 /nfs/dbraw/zinc/01/09/64/493010964.db2.gz CXBLCXZOILQVEH-UHFFFAOYSA-N 2 2 365.441 0.629 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H](Cc2ccccc2)C1 ZINC000652736672 493013170 /nfs/dbraw/zinc/01/31/70/493013170.db2.gz LVPKRBCVTMXQEK-CEXWTWQISA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H](Cc2ccccc2)C1 ZINC000652736672 493013173 /nfs/dbraw/zinc/01/31/73/493013173.db2.gz LVPKRBCVTMXQEK-CEXWTWQISA-N 2 2 370.497 0.725 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646104683 493013205 /nfs/dbraw/zinc/01/32/05/493013205.db2.gz LZRGDPCINODYCP-GOSISDBHSA-N 2 2 374.485 0.387 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646104683 493013207 /nfs/dbraw/zinc/01/32/07/493013207.db2.gz LZRGDPCINODYCP-GOSISDBHSA-N 2 2 374.485 0.387 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(c4nc[nH]n4)CC3)c2cc1C ZINC000639729917 493039201 /nfs/dbraw/zinc/03/92/01/493039201.db2.gz BEDKAZRIFNHUFQ-OAHLLOKOSA-N 2 2 355.446 0.954 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000646391104 493045251 /nfs/dbraw/zinc/04/52/51/493045251.db2.gz OIGZSADROJQESE-YESZJQIVSA-N 2 2 365.499 0.481 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000646391104 493045252 /nfs/dbraw/zinc/04/52/52/493045252.db2.gz OIGZSADROJQESE-YESZJQIVSA-N 2 2 365.499 0.481 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000639866877 493061517 /nfs/dbraw/zinc/06/15/17/493061517.db2.gz BEKCFGRSJIGYFM-IBGZPJMESA-N 2 2 360.502 0.248 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000639866877 493061520 /nfs/dbraw/zinc/06/15/20/493061520.db2.gz BEKCFGRSJIGYFM-IBGZPJMESA-N 2 2 360.502 0.248 20 0 FCADLP Cc1ccc(C(=O)N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1F ZINC000653066063 493065538 /nfs/dbraw/zinc/06/55/38/493065538.db2.gz CDTWWWRHABMOEA-MRXNPFEDSA-N 2 2 350.438 0.698 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000653066474 493066278 /nfs/dbraw/zinc/06/62/78/493066278.db2.gz UHRCFXRXJJJIJC-MRXNPFEDSA-N 2 2 350.438 0.779 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000653078629 493066900 /nfs/dbraw/zinc/06/69/00/493066900.db2.gz GDQXDQFLMSPAOD-TZMCWYRMSA-N 2 2 363.380 0.840 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000653081857 493068024 /nfs/dbraw/zinc/06/80/24/493068024.db2.gz AVMLNQKHDKJAJL-HUUCEWRRSA-N 2 2 351.426 0.827 20 0 FCADLP COc1ccc(NC(=O)Cn2cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn2)cc1 ZINC000653081738 493068111 /nfs/dbraw/zinc/06/81/11/493068111.db2.gz ZEDZWNDQNHRHIE-INIZCTEOSA-N 2 2 374.445 0.748 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653107249 493070730 /nfs/dbraw/zinc/07/07/30/493070730.db2.gz BPOIOKGYXBBEDS-LSDHHAIUSA-N 2 2 355.446 0.543 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)c[nH+]2)C[C@@H](C)O1 ZINC000653108623 493071458 /nfs/dbraw/zinc/07/14/58/493071458.db2.gz BURHSTJFKPBOFF-ZLHSVIROSA-N 2 2 360.458 0.547 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000653111494 493072040 /nfs/dbraw/zinc/07/20/40/493072040.db2.gz PSCAYULRCRPQJC-YESZJQIVSA-N 2 2 368.522 0.355 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000626975888 493072809 /nfs/dbraw/zinc/07/28/09/493072809.db2.gz ICFFIJZDAMBOIQ-ZWKOTPCHSA-N 2 2 362.474 0.218 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115084 493073107 /nfs/dbraw/zinc/07/31/07/493073107.db2.gz CBHFQZBVPFIANI-DOTOQJQBSA-N 3 2 361.490 0.601 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000653115084 493073109 /nfs/dbraw/zinc/07/31/09/493073109.db2.gz CBHFQZBVPFIANI-DOTOQJQBSA-N 3 2 361.490 0.601 20 0 FCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653118390 493073773 /nfs/dbraw/zinc/07/37/73/493073773.db2.gz KUNNKCSBWDKUFJ-DAYGRLMNSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124440 493074445 /nfs/dbraw/zinc/07/44/45/493074445.db2.gz YSSRBAZKOYZZDP-GJZGRUSLSA-N 3 2 353.536 0.432 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000653120899 493075382 /nfs/dbraw/zinc/07/53/82/493075382.db2.gz FWANGESGEMHZBX-ZDUSSCGKSA-N 2 2 352.483 0.290 20 0 FCADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653125094 493076155 /nfs/dbraw/zinc/07/61/55/493076155.db2.gz SLZJPCVCFGIJHX-LJQANCHMSA-N 3 2 361.534 0.719 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCOCC2)s1 ZINC000653150274 493078151 /nfs/dbraw/zinc/07/81/51/493078151.db2.gz XCHLDXSMBFDKPN-MPGHIAIKSA-N 2 2 365.499 0.782 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000653155401 493078964 /nfs/dbraw/zinc/07/89/64/493078964.db2.gz RVZUXKIOTDXDDU-ZIAGYGMSSA-N 2 2 356.829 0.980 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000653155328 493079211 /nfs/dbraw/zinc/07/92/11/493079211.db2.gz PLJGAHGTWAFGBJ-ZIAGYGMSSA-N 2 2 356.829 0.980 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000627005349 493079256 /nfs/dbraw/zinc/07/92/56/493079256.db2.gz XTWKRSNUIBMYOL-DZGCQCFKSA-N 2 2 356.434 0.286 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000653154472 493079232 /nfs/dbraw/zinc/07/92/32/493079232.db2.gz SYLSRLPVGCGSNP-KBPBESRZSA-N 2 2 372.391 0.984 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000653276107 493088290 /nfs/dbraw/zinc/08/82/90/493088290.db2.gz VTQCXCKDNCCWSQ-UHFFFAOYSA-N 2 2 361.486 0.796 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1c(F)cccc1F ZINC000646835303 493109377 /nfs/dbraw/zinc/10/93/77/493109377.db2.gz ADDWSXAMAHMKIT-IUODEOHRSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1c(F)cccc1F ZINC000646835303 493109381 /nfs/dbraw/zinc/10/93/81/493109381.db2.gz ADDWSXAMAHMKIT-IUODEOHRSA-N 2 2 354.401 0.633 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000627226491 493110850 /nfs/dbraw/zinc/11/08/50/493110850.db2.gz UQMDHUXSWXMEOM-HNNXBMFYSA-N 2 2 356.434 0.239 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383402 493110860 /nfs/dbraw/zinc/11/08/60/493110860.db2.gz NNQPUVFEKVYHTG-MJGOQNOKSA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383402 493110862 /nfs/dbraw/zinc/11/08/62/493110862.db2.gz NNQPUVFEKVYHTG-MJGOQNOKSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383402 493110865 /nfs/dbraw/zinc/11/08/65/493110865.db2.gz NNQPUVFEKVYHTG-MJGOQNOKSA-N 2 2 370.497 0.725 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000653383402 493110867 /nfs/dbraw/zinc/11/08/67/493110867.db2.gz NNQPUVFEKVYHTG-MJGOQNOKSA-N 2 2 370.497 0.725 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000653385675 493112529 /nfs/dbraw/zinc/11/25/29/493112529.db2.gz CMKVKPGFIBPJPD-GOSISDBHSA-N 2 2 369.469 0.693 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000653385675 493112531 /nfs/dbraw/zinc/11/25/31/493112531.db2.gz CMKVKPGFIBPJPD-GOSISDBHSA-N 2 2 369.469 0.693 20 0 FCADLP C[C@H](COCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653397934 493119081 /nfs/dbraw/zinc/11/90/81/493119081.db2.gz CPRMFJDJQONHEI-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](COCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653397934 493119084 /nfs/dbraw/zinc/11/90/84/493119084.db2.gz CPRMFJDJQONHEI-GDBMZVCRSA-N 2 2 366.506 0.202 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)c1 ZINC000633088220 493119334 /nfs/dbraw/zinc/11/93/34/493119334.db2.gz FHAKFVKQASSOIW-XIRDDKMYSA-N 2 2 372.469 0.473 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C1)n2C ZINC000627258578 493121219 /nfs/dbraw/zinc/12/12/19/493121219.db2.gz CUCJOLWLRBSOPZ-CHWSQXEVSA-N 2 2 358.446 0.315 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]([N@H+]3CC[C@@H](O)C3)C1)n2C ZINC000627258578 493121223 /nfs/dbraw/zinc/12/12/23/493121223.db2.gz CUCJOLWLRBSOPZ-CHWSQXEVSA-N 2 2 358.446 0.315 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640616503 493121912 /nfs/dbraw/zinc/12/19/12/493121912.db2.gz LMFFITWJADOCQQ-UHFFFAOYSA-N 2 2 365.478 0.954 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659005499 493124939 /nfs/dbraw/zinc/12/49/39/493124939.db2.gz XJSYIGVKNKSVBF-UHFFFAOYSA-N 2 2 373.417 0.503 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000653414350 493126127 /nfs/dbraw/zinc/12/61/27/493126127.db2.gz QSJYVPAXCLFCOG-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP O=C(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633103220 493126892 /nfs/dbraw/zinc/12/68/92/493126892.db2.gz MAXUGKSHZARTMN-HOCLYGCPSA-N 2 2 357.458 0.498 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000633115700 493132282 /nfs/dbraw/zinc/13/22/82/493132282.db2.gz MCTDPLXFZVMMPS-RDJZCZTQSA-N 2 2 374.485 0.678 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000627291099 493135623 /nfs/dbraw/zinc/13/56/23/493135623.db2.gz KFVYOYFBXAYECC-HZPDHXFCSA-N 2 2 362.474 0.989 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633147599 493136591 /nfs/dbraw/zinc/13/65/91/493136591.db2.gz SUVXAEWTYCXEEZ-UMVBOHGHSA-N 2 2 350.488 0.901 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974547 493138090 /nfs/dbraw/zinc/13/80/90/493138090.db2.gz SNKBMBOVJSYTLO-SJORKVTESA-N 2 2 364.490 0.053 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974547 493138092 /nfs/dbraw/zinc/13/80/92/493138092.db2.gz SNKBMBOVJSYTLO-SJORKVTESA-N 2 2 364.490 0.053 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000646978092 493138992 /nfs/dbraw/zinc/13/89/92/493138992.db2.gz QGEMJJKSBYEWLW-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646978092 493138996 /nfs/dbraw/zinc/13/89/96/493138996.db2.gz QGEMJJKSBYEWLW-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)CCc1cn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000640871476 493141139 /nfs/dbraw/zinc/14/11/39/493141139.db2.gz GUXKVSSLIPEQHI-UHFFFAOYSA-N 2 2 372.473 0.853 20 0 FCADLP C[C@H](COCC1CC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000653455117 493147347 /nfs/dbraw/zinc/14/73/47/493147347.db2.gz GDQROJKLGOYAGH-OAHLLOKOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](COCC1CC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000653455117 493147350 /nfs/dbraw/zinc/14/73/50/493147350.db2.gz GDQROJKLGOYAGH-OAHLLOKOSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(Cn1cc(Cn2cc[nH+]c2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000640954132 493153057 /nfs/dbraw/zinc/15/30/57/493153057.db2.gz VUDIIYKKMITBHN-UHFFFAOYSA-N 2 2 365.441 0.867 20 0 FCADLP [NH3+][C@H](CO)Cc1cn(Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000640958952 493154196 /nfs/dbraw/zinc/15/41/96/493154196.db2.gz RNNLBYSGSKPDAA-JTQLQIEISA-N 2 2 351.208 0.599 20 0 FCADLP C[NH2+][C@H](C)c1cn(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)nn1 ZINC000641028344 493162869 /nfs/dbraw/zinc/16/28/69/493162869.db2.gz GWEACASHJHXWQO-OAHLLOKOSA-N 2 2 372.473 0.912 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@H]2[NH3+])cn1 ZINC000647096751 493163378 /nfs/dbraw/zinc/16/33/78/493163378.db2.gz NXQWRLVGEZKIAO-RBUKOAKNSA-N 2 2 369.469 0.819 20 0 FCADLP CN1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000653696686 493170636 /nfs/dbraw/zinc/17/06/36/493170636.db2.gz WUZLTQULNZUZAQ-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CN1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000653696686 493170643 /nfs/dbraw/zinc/17/06/43/493170643.db2.gz WUZLTQULNZUZAQ-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CN1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000653696687 493171129 /nfs/dbraw/zinc/17/11/29/493171129.db2.gz WUZLTQULNZUZAQ-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CN1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC000653696687 493171134 /nfs/dbraw/zinc/17/11/34/493171134.db2.gz WUZLTQULNZUZAQ-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641174839 493176639 /nfs/dbraw/zinc/17/66/39/493176639.db2.gz XWLDOEUEOAPEPJ-AWEZNQCLSA-N 2 2 371.485 0.784 20 0 FCADLP CN(C(=O)C(=O)N1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344515 493195037 /nfs/dbraw/zinc/19/50/37/493195037.db2.gz AYQZSBLLCKPXOH-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C(=O)C(=O)N1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344515 493195044 /nfs/dbraw/zinc/19/50/44/493195044.db2.gz AYQZSBLLCKPXOH-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000666535875 493199833 /nfs/dbraw/zinc/19/98/33/493199833.db2.gz WYLWUNOVMAKFSX-HZPDHXFCSA-N 2 2 354.458 0.987 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659566337 493213597 /nfs/dbraw/zinc/21/35/97/493213597.db2.gz JPXVJAANTFTGSD-GOSISDBHSA-N 3 2 360.506 0.578 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000659566337 493213600 /nfs/dbraw/zinc/21/36/00/493213600.db2.gz JPXVJAANTFTGSD-GOSISDBHSA-N 3 2 360.506 0.578 20 0 FCADLP COc1ccc(N2C[C@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000659563906 493213614 /nfs/dbraw/zinc/21/36/14/493213614.db2.gz CMTHOOMTHIBDQC-UKRRQHHQSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccc(N2C[C@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000659563906 493213618 /nfs/dbraw/zinc/21/36/18/493213618.db2.gz CMTHOOMTHIBDQC-UKRRQHHQSA-N 2 2 361.446 0.085 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637992 493219897 /nfs/dbraw/zinc/21/98/97/493219897.db2.gz BYHZQWXCRYFUNG-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1cncc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000672637992 493219900 /nfs/dbraw/zinc/21/99/00/493219900.db2.gz BYHZQWXCRYFUNG-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637870 493220742 /nfs/dbraw/zinc/22/07/42/493220742.db2.gz OQXDROVSSNCJBO-DNVCBOLYSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637870 493220745 /nfs/dbraw/zinc/22/07/45/493220745.db2.gz OQXDROVSSNCJBO-DNVCBOLYSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000672637445 493220946 /nfs/dbraw/zinc/22/09/46/493220946.db2.gz HOWJGFXUVZEPNT-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000672637445 493220948 /nfs/dbraw/zinc/22/09/48/493220948.db2.gz HOWJGFXUVZEPNT-BZUAXINKSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639133 493221483 /nfs/dbraw/zinc/22/14/83/493221483.db2.gz ZSQWXGFQDUFSMN-GDBMZVCRSA-N 2 2 374.489 0.188 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639133 493221486 /nfs/dbraw/zinc/22/14/86/493221486.db2.gz ZSQWXGFQDUFSMN-GDBMZVCRSA-N 2 2 374.489 0.188 20 0 FCADLP C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638700 493221684 /nfs/dbraw/zinc/22/16/84/493221684.db2.gz HKLWUKGQBLOJHV-YQQAZPJKSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638700 493221686 /nfs/dbraw/zinc/22/16/86/493221686.db2.gz HKLWUKGQBLOJHV-YQQAZPJKSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638743 493222163 /nfs/dbraw/zinc/22/21/63/493222163.db2.gz IEGXILHCLPWZFE-RDJZCZTQSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638743 493222165 /nfs/dbraw/zinc/22/21/65/493222165.db2.gz IEGXILHCLPWZFE-RDJZCZTQSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631894 493225225 /nfs/dbraw/zinc/22/52/25/493225225.db2.gz JTJMDGUXSVBHLJ-CYBMUJFWSA-N 2 2 371.445 0.624 20 0 FCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642038 493225752 /nfs/dbraw/zinc/22/57/52/493225752.db2.gz WLBPUTAYPSQYIL-GJZGRUSLSA-N 2 2 368.522 0.591 20 0 FCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642038 493225754 /nfs/dbraw/zinc/22/57/54/493225754.db2.gz WLBPUTAYPSQYIL-GJZGRUSLSA-N 2 2 368.522 0.591 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC(=O)N1C ZINC000659641404 493227398 /nfs/dbraw/zinc/22/73/98/493227398.db2.gz OAJUDOZPNDBHHM-DHSIGJKJSA-N 2 2 360.462 0.477 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642916 493227468 /nfs/dbraw/zinc/22/74/68/493227468.db2.gz JUHMFGVDRCVRIG-GJZGRUSLSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642916 493227470 /nfs/dbraw/zinc/22/74/70/493227470.db2.gz JUHMFGVDRCVRIG-GJZGRUSLSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000672696126 493234320 /nfs/dbraw/zinc/23/43/20/493234320.db2.gz NOCXPRFOWLTALU-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000672708142 493237019 /nfs/dbraw/zinc/23/70/19/493237019.db2.gz FIBAICGGQZARAG-DLBZAZTESA-N 2 2 367.538 0.517 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666941554 493239847 /nfs/dbraw/zinc/23/98/47/493239847.db2.gz KDIQBEWGYAQNRU-IAGOWNOFSA-N 2 2 366.506 0.603 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000666978642 493245246 /nfs/dbraw/zinc/24/52/46/493245246.db2.gz AJQJKOAPIDMTOR-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000666978642 493245249 /nfs/dbraw/zinc/24/52/49/493245249.db2.gz AJQJKOAPIDMTOR-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672788150 493250155 /nfs/dbraw/zinc/25/01/55/493250155.db2.gz MONMRZYGLCJWPR-QGZVFWFLSA-N 2 2 361.490 0.268 20 0 FCADLP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672788150 493250160 /nfs/dbraw/zinc/25/01/60/493250160.db2.gz MONMRZYGLCJWPR-QGZVFWFLSA-N 2 2 361.490 0.268 20 0 FCADLP CN(CC1(O)CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681968616 493257826 /nfs/dbraw/zinc/25/78/26/493257826.db2.gz XIXXSVONGBUULX-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP CN(CC1(O)CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681968616 493257829 /nfs/dbraw/zinc/25/78/29/493257829.db2.gz XIXXSVONGBUULX-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659696809 493258374 /nfs/dbraw/zinc/25/83/74/493258374.db2.gz NPSWFPUBGIJZSF-HZPDHXFCSA-N 2 2 359.474 0.552 20 0 FCADLP Cn1cc(-c2n[nH]cc2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993233 493259218 /nfs/dbraw/zinc/25/92/18/493259218.db2.gz FCMOBNNHUNRPAQ-AWEZNQCLSA-N 2 2 357.462 0.709 20 0 FCADLP Cn1cc(-c2n[nH]cc2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681993233 493259219 /nfs/dbraw/zinc/25/92/19/493259219.db2.gz FCMOBNNHUNRPAQ-AWEZNQCLSA-N 2 2 357.462 0.709 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659727042 493274684 /nfs/dbraw/zinc/27/46/84/493274684.db2.gz OFYMEJJFACJHMY-UHFFFAOYSA-N 2 2 359.474 0.804 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000641668862 493275177 /nfs/dbraw/zinc/27/51/77/493275177.db2.gz QOSJNZDNCHKGJZ-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000641668862 493275180 /nfs/dbraw/zinc/27/51/80/493275180.db2.gz QOSJNZDNCHKGJZ-DLBZAZTESA-N 2 2 361.490 0.358 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)n1C ZINC000682263229 493283329 /nfs/dbraw/zinc/28/33/29/493283329.db2.gz HZTTZZPLOQHYBV-UHFFFAOYSA-N 2 2 368.401 0.322 20 0 FCADLP CCc1nn(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682271193 493285019 /nfs/dbraw/zinc/28/50/19/493285019.db2.gz YAIHSFLPQWPIFC-ZDUSSCGKSA-N 2 2 362.478 0.206 20 0 FCADLP CCc1nn(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682271193 493285022 /nfs/dbraw/zinc/28/50/22/493285022.db2.gz YAIHSFLPQWPIFC-ZDUSSCGKSA-N 2 2 362.478 0.206 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667540586 493288938 /nfs/dbraw/zinc/28/89/38/493288938.db2.gz OMTIMNHFMZVBTA-YJBOKZPZSA-N 2 2 372.469 0.668 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)[C@@H](C[NH3+])C1 ZINC000667596197 493292097 /nfs/dbraw/zinc/29/20/97/493292097.db2.gz ZGKLSVMIMWTPJJ-LBPRGKRZSA-N 2 2 369.416 0.908 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)[C@@H](C[NH3+])C1 ZINC000667596197 493292100 /nfs/dbraw/zinc/29/21/00/493292100.db2.gz ZGKLSVMIMWTPJJ-LBPRGKRZSA-N 2 2 369.416 0.908 20 0 FCADLP CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673143923 493294917 /nfs/dbraw/zinc/29/49/17/493294917.db2.gz XPVWZPFXJBSROY-KRWDZBQOSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673143923 493294919 /nfs/dbraw/zinc/29/49/19/493294919.db2.gz XPVWZPFXJBSROY-KRWDZBQOSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C(=O)C(=O)NCCn1cccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673197929 493301867 /nfs/dbraw/zinc/30/18/67/493301867.db2.gz MHLRVCMYFHFQRY-KRWDZBQOSA-N 2 2 361.490 0.231 20 0 FCADLP CN(C(=O)C(=O)NCCn1cccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673197929 493301871 /nfs/dbraw/zinc/30/18/71/493301871.db2.gz MHLRVCMYFHFQRY-KRWDZBQOSA-N 2 2 361.490 0.231 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000673285334 493312059 /nfs/dbraw/zinc/31/20/59/493312059.db2.gz NVCJUSNHEBRQHW-GOSISDBHSA-N 2 2 356.470 0.844 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000673285334 493312061 /nfs/dbraw/zinc/31/20/61/493312061.db2.gz NVCJUSNHEBRQHW-GOSISDBHSA-N 2 2 356.470 0.844 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673302991 493315154 /nfs/dbraw/zinc/31/51/54/493315154.db2.gz BWQQMPSHRFYPJS-CVEARBPZSA-N 2 2 359.474 0.766 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCC1 ZINC000673378129 493324032 /nfs/dbraw/zinc/32/40/32/493324032.db2.gz UCLUNBRTEGGULC-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCC1 ZINC000673378129 493324035 /nfs/dbraw/zinc/32/40/35/493324035.db2.gz UCLUNBRTEGGULC-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668569991 493377338 /nfs/dbraw/zinc/37/73/38/493377338.db2.gz LQHWRYDIDCVSJF-NVXWUHKLSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000668569991 493377342 /nfs/dbraw/zinc/37/73/42/493377342.db2.gz LQHWRYDIDCVSJF-NVXWUHKLSA-N 2 2 355.442 0.779 20 0 FCADLP Cc1cnc2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nn2c1 ZINC000668618939 493385717 /nfs/dbraw/zinc/38/57/17/493385717.db2.gz WANYUMQGBGAJNL-OAHLLOKOSA-N 2 2 357.462 0.673 20 0 FCADLP Cc1cnc2nc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nn2c1 ZINC000668618939 493385720 /nfs/dbraw/zinc/38/57/20/493385720.db2.gz WANYUMQGBGAJNL-OAHLLOKOSA-N 2 2 357.462 0.673 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000674140575 493392722 /nfs/dbraw/zinc/39/27/22/493392722.db2.gz LCKWQDUOPYGIIB-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1C ZINC000674405978 493413327 /nfs/dbraw/zinc/41/33/27/493413327.db2.gz YKPWFBWXGUFEQS-CABCVRRESA-N 2 2 350.467 0.227 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668825588 493416354 /nfs/dbraw/zinc/41/63/54/493416354.db2.gz PBDZHDUCYSAZJA-KRWDZBQOSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000668825588 493416357 /nfs/dbraw/zinc/41/63/57/493416357.db2.gz PBDZHDUCYSAZJA-KRWDZBQOSA-N 2 2 371.485 0.899 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668830251 493417584 /nfs/dbraw/zinc/41/75/84/493417584.db2.gz XZLWFGRGRACWOV-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668830251 493417585 /nfs/dbraw/zinc/41/75/85/493417585.db2.gz XZLWFGRGRACWOV-RRFJBIMHSA-N 2 2 354.495 0.201 20 0 FCADLP CN1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000668849427 493421280 /nfs/dbraw/zinc/42/12/80/493421280.db2.gz AJRSPOXKDFAVMN-MSOLQXFVSA-N 2 2 361.490 0.344 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000668849450 493421469 /nfs/dbraw/zinc/42/14/69/493421469.db2.gz ISCFEHMOXGWPKG-SZMVWBNQSA-N 2 2 362.474 0.818 20 0 FCADLP CC(C)n1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684640583 493425177 /nfs/dbraw/zinc/42/51/77/493425177.db2.gz WSZJFVVYRGXNPD-AWEZNQCLSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684640583 493425178 /nfs/dbraw/zinc/42/51/78/493425178.db2.gz WSZJFVVYRGXNPD-AWEZNQCLSA-N 2 2 362.478 0.687 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@H+]1C ZINC000668892659 493429635 /nfs/dbraw/zinc/42/96/35/493429635.db2.gz IXUIRTNGNWYFBV-ZBFHGGJFSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661507797 493443533 /nfs/dbraw/zinc/44/35/33/493443533.db2.gz LLIJXQZGBIBCEJ-ZBFHGGJFSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661507797 493443538 /nfs/dbraw/zinc/44/35/38/493443538.db2.gz LLIJXQZGBIBCEJ-ZBFHGGJFSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)Nc1cnc(N[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000685267131 493471146 /nfs/dbraw/zinc/47/11/46/493471146.db2.gz OWKPCSHQYIYQMT-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000669183112 493474276 /nfs/dbraw/zinc/47/42/76/493474276.db2.gz OCCZLHVCYOADMY-KRWDZBQOSA-N 2 2 368.522 0.545 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000669189894 493474852 /nfs/dbraw/zinc/47/48/52/493474852.db2.gz XOEOOMOGIRUXEK-AEFFLSMTSA-N 2 2 372.469 0.222 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000669189894 493474853 /nfs/dbraw/zinc/47/48/53/493474853.db2.gz XOEOOMOGIRUXEK-AEFFLSMTSA-N 2 2 372.469 0.222 20 0 FCADLP C[C@H](CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000669203354 493476111 /nfs/dbraw/zinc/47/61/11/493476111.db2.gz LONQPGXOUVLHLS-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000669203352 493476177 /nfs/dbraw/zinc/47/61/77/493476177.db2.gz LONQPGXOUVLHLS-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661955541 493479271 /nfs/dbraw/zinc/47/92/71/493479271.db2.gz JGPZVAZPVRFUQX-INIZCTEOSA-N 2 2 351.495 0.420 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661955541 493479274 /nfs/dbraw/zinc/47/92/74/493479274.db2.gz JGPZVAZPVRFUQX-INIZCTEOSA-N 2 2 351.495 0.420 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000662056446 493486823 /nfs/dbraw/zinc/48/68/23/493486823.db2.gz HCZDHXCSXNIIJV-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000662056446 493486824 /nfs/dbraw/zinc/48/68/24/493486824.db2.gz HCZDHXCSXNIIJV-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000675546642 493488518 /nfs/dbraw/zinc/48/85/18/493488518.db2.gz OOPJKLOHXRZILW-UHFFFAOYSA-N 2 2 357.458 0.831 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000669366424 493501783 /nfs/dbraw/zinc/50/17/83/493501783.db2.gz NVSQYRDIWLXANE-RYQLBKOJSA-N 2 2 362.474 0.818 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669405434 493502562 /nfs/dbraw/zinc/50/25/62/493502562.db2.gz HLJOFJBMBCQOLU-LISAXSMJSA-N 2 2 368.547 0.882 20 0 FCADLP COc1cc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c(OC)cc1Cl ZINC000662285649 493502609 /nfs/dbraw/zinc/50/26/09/493502609.db2.gz KLVPZCCDTFNTML-UHFFFAOYSA-N 2 2 357.838 1.000 20 0 FCADLP CCOc1ccc([C@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1OC ZINC000662285987 493502841 /nfs/dbraw/zinc/50/28/41/493502841.db2.gz DUSYCRCGIHKWKV-AWEZNQCLSA-N 2 2 365.474 0.975 20 0 FCADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000675781861 493503315 /nfs/dbraw/zinc/50/33/15/493503315.db2.gz FCHNJZZESNRMMT-AWEZNQCLSA-N 2 2 368.503 0.873 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000662291492 493503930 /nfs/dbraw/zinc/50/39/30/493503930.db2.gz UVBIQAOQIJKVDT-IRXDYDNUSA-N 2 2 371.547 0.734 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H](F)[C@H]([NH3+])C3)CC2)cc1 ZINC000662321703 493506195 /nfs/dbraw/zinc/50/61/95/493506195.db2.gz CRHKKDOAZWPHER-QZTJIDSGSA-N 2 2 364.465 0.711 20 0 FCADLP COCc1noc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338598 493507561 /nfs/dbraw/zinc/50/75/61/493507561.db2.gz SZCKIWJLCJOXAM-ZDUSSCGKSA-N 2 2 361.450 0.728 20 0 FCADLP COCc1noc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338598 493507564 /nfs/dbraw/zinc/50/75/64/493507564.db2.gz SZCKIWJLCJOXAM-ZDUSSCGKSA-N 2 2 361.450 0.728 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662336127 493507800 /nfs/dbraw/zinc/50/78/00/493507800.db2.gz VNRQFVJEMXKPJM-AWEZNQCLSA-N 2 2 373.461 0.934 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662336127 493507803 /nfs/dbraw/zinc/50/78/03/493507803.db2.gz VNRQFVJEMXKPJM-AWEZNQCLSA-N 2 2 373.461 0.934 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccc(Cl)c1 ZINC000669513944 493508508 /nfs/dbraw/zinc/50/85/08/493508508.db2.gz DTKZPLBMCUHZCE-HOCLYGCPSA-N 2 2 350.850 0.763 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662363603 493509715 /nfs/dbraw/zinc/50/97/15/493509715.db2.gz DIFXCRUZFZMCDO-AWEZNQCLSA-N 2 2 356.430 0.648 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662375991 493510541 /nfs/dbraw/zinc/51/05/41/493510541.db2.gz HCACEJILVGSWRK-CYBMUJFWSA-N 2 2 356.430 0.648 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662445232 493515918 /nfs/dbraw/zinc/51/59/18/493515918.db2.gz QLGHVUFLVAVQOM-UHFFFAOYSA-N 2 2 374.445 0.923 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449617 493516530 /nfs/dbraw/zinc/51/65/30/493516530.db2.gz ZPGLUHKQYULSOP-MJGOQNOKSA-N 2 2 358.486 0.696 20 0 FCADLP CC[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000662481515 493519887 /nfs/dbraw/zinc/51/98/87/493519887.db2.gz HVKLORFJZAFPHT-WMLDXEAASA-N 2 2 362.478 0.385 20 0 FCADLP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662583189 493527172 /nfs/dbraw/zinc/52/71/72/493527172.db2.gz CQJIUVOGZGWIFW-MELADBBJSA-N 2 2 350.467 0.430 20 0 FCADLP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662583189 493527173 /nfs/dbraw/zinc/52/71/73/493527173.db2.gz CQJIUVOGZGWIFW-MELADBBJSA-N 2 2 350.467 0.430 20 0 FCADLP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000662701926 493533038 /nfs/dbraw/zinc/53/30/38/493533038.db2.gz FWHKZYCBQHQISH-OAHLLOKOSA-N 2 2 354.476 0.559 20 0 FCADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676241341 493533592 /nfs/dbraw/zinc/53/35/92/493533592.db2.gz AIXBWGGOKMVZSA-GOEBONIOSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241341 493533595 /nfs/dbraw/zinc/53/35/95/493533595.db2.gz AIXBWGGOKMVZSA-GOEBONIOSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676241320 493534137 /nfs/dbraw/zinc/53/41/37/493534137.db2.gz ABTQBVCPKZRHRK-GOEBONIOSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676241320 493534139 /nfs/dbraw/zinc/53/41/39/493534139.db2.gz ABTQBVCPKZRHRK-GOEBONIOSA-N 2 2 363.462 0.437 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662728103 493535197 /nfs/dbraw/zinc/53/51/97/493535197.db2.gz GOFAZINBEIXIHI-MRXNPFEDSA-N 2 2 354.401 0.633 20 0 FCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000662758574 493539845 /nfs/dbraw/zinc/53/98/45/493539845.db2.gz QLKDMABSXXJBSW-RHSMWYFYSA-N 2 2 373.457 0.740 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1F ZINC000662765593 493540612 /nfs/dbraw/zinc/54/06/12/493540612.db2.gz BAIVNILBLFXHNA-LRDDRELGSA-N 2 2 352.385 0.387 20 0 FCADLP CCN1C(=O)CC[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)[C@H]1c1[nH+]ccn1C ZINC000662773188 493541063 /nfs/dbraw/zinc/54/10/63/493541063.db2.gz UKAMLUZEQJHPQA-DLTWYDFYSA-N 2 2 359.474 0.930 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662801266 493542944 /nfs/dbraw/zinc/54/29/44/493542944.db2.gz VDFXZGZSGVXUTL-QZTJIDSGSA-N 2 2 360.458 0.653 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662834446 493545272 /nfs/dbraw/zinc/54/52/72/493545272.db2.gz UOYKSVOWWXGUHO-CQSZACIVSA-N 2 2 353.385 0.336 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000662921179 493553565 /nfs/dbraw/zinc/55/35/65/493553565.db2.gz FKTXGKDQGRWDDD-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)c1 ZINC000662930199 493555397 /nfs/dbraw/zinc/55/53/97/493555397.db2.gz NHVFOQHBAHYJFC-OAHLLOKOSA-N 2 2 362.474 0.708 20 0 FCADLP CN(C(=O)C(=O)NCc1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670421642 493564303 /nfs/dbraw/zinc/56/43/03/493564303.db2.gz WVJRSIBCGQUCQA-QGZVFWFLSA-N 2 2 359.474 0.325 20 0 FCADLP CN(C(=O)C(=O)NCc1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670421642 493564305 /nfs/dbraw/zinc/56/43/05/493564305.db2.gz WVJRSIBCGQUCQA-QGZVFWFLSA-N 2 2 359.474 0.325 20 0 FCADLP CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670435849 493567041 /nfs/dbraw/zinc/56/70/41/493567041.db2.gz CQHSOKFMYZMVKQ-MRXNPFEDSA-N 2 2 359.474 0.325 20 0 FCADLP CN(Cc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670435849 493567042 /nfs/dbraw/zinc/56/70/42/493567042.db2.gz CQHSOKFMYZMVKQ-MRXNPFEDSA-N 2 2 359.474 0.325 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000670535358 493577897 /nfs/dbraw/zinc/57/78/97/493577897.db2.gz WCHFZDKCHWWOJR-MJBXVCDLSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670535358 493577899 /nfs/dbraw/zinc/57/78/99/493577899.db2.gz WCHFZDKCHWWOJR-MJBXVCDLSA-N 2 2 368.503 0.302 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000670537410 493578303 /nfs/dbraw/zinc/57/83/03/493578303.db2.gz BZJDYUKNRDBJJQ-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000670537646 493578462 /nfs/dbraw/zinc/57/84/62/493578462.db2.gz MFFHHDPGLVLOSX-AWEZNQCLSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000670630240 493581926 /nfs/dbraw/zinc/58/19/26/493581926.db2.gz LONDNZVJISOPCL-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP c1nc(NCCC[NH+]2CCOCC2)cnc1NCCC[NH+]1CCOCC1 ZINC000663316793 493584085 /nfs/dbraw/zinc/58/40/85/493584085.db2.gz HGENWSUHACXTNM-UHFFFAOYSA-N 2 2 364.494 0.745 20 0 FCADLP Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670644041 493584673 /nfs/dbraw/zinc/58/46/73/493584673.db2.gz SYZHKZUQZJQENO-QGZVFWFLSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670644041 493584676 /nfs/dbraw/zinc/58/46/76/493584676.db2.gz SYZHKZUQZJQENO-QGZVFWFLSA-N 2 2 358.486 0.896 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663480183 493591557 /nfs/dbraw/zinc/59/15/57/493591557.db2.gz NYEVYQVVAUYLSV-IXDOHACOSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663480183 493591559 /nfs/dbraw/zinc/59/15/59/493591559.db2.gz NYEVYQVVAUYLSV-IXDOHACOSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663480183 493591562 /nfs/dbraw/zinc/59/15/62/493591562.db2.gz NYEVYQVVAUYLSV-IXDOHACOSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663480183 493591565 /nfs/dbraw/zinc/59/15/65/493591565.db2.gz NYEVYQVVAUYLSV-IXDOHACOSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCOCC1 ZINC000663552229 493596990 /nfs/dbraw/zinc/59/69/90/493596990.db2.gz DLWFHCJCROEBIA-ZACQAIPSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCOCC1 ZINC000663552229 493596992 /nfs/dbraw/zinc/59/69/92/493596992.db2.gz DLWFHCJCROEBIA-ZACQAIPSSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC000663552226 493597080 /nfs/dbraw/zinc/59/70/80/493597080.db2.gz DLWFHCJCROEBIA-BBWFWOEESA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC000663552226 493597081 /nfs/dbraw/zinc/59/70/81/493597081.db2.gz DLWFHCJCROEBIA-BBWFWOEESA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000670813721 493599585 /nfs/dbraw/zinc/59/95/85/493599585.db2.gz MIEKCAMIEXQFDQ-IRXDYDNUSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000670813720 493599822 /nfs/dbraw/zinc/59/98/22/493599822.db2.gz MIEKCAMIEXQFDQ-IAGOWNOFSA-N 2 2 368.522 0.448 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCC(C)(C)CO)C2)CC1 ZINC000670867297 493607507 /nfs/dbraw/zinc/60/75/07/493607507.db2.gz FVSNESPWMXZADZ-HNNXBMFYSA-N 2 2 368.522 0.186 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCC(C)(C)CO)C2)CC1 ZINC000670867297 493607509 /nfs/dbraw/zinc/60/75/09/493607509.db2.gz FVSNESPWMXZADZ-HNNXBMFYSA-N 2 2 368.522 0.186 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C[C@@H]1O ZINC000663657098 493610491 /nfs/dbraw/zinc/61/04/91/493610491.db2.gz AZTQYYKVVOWYIV-BZSNNMDCSA-N 2 2 362.474 0.376 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c[nH+]1 ZINC000670978764 493617921 /nfs/dbraw/zinc/61/79/21/493617921.db2.gz KPKVFRKNKYAKRB-OAHLLOKOSA-N 2 2 356.430 0.824 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000670982231 493618410 /nfs/dbraw/zinc/61/84/10/493618410.db2.gz CXLFYIKRCCELSB-CFVMTHIKSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670982231 493618413 /nfs/dbraw/zinc/61/84/13/493618413.db2.gz CXLFYIKRCCELSB-CFVMTHIKSA-N 2 2 368.503 0.302 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986935 493620808 /nfs/dbraw/zinc/62/08/08/493620808.db2.gz ZROLOGWCHWZVNY-WMZOPIPTSA-N 2 2 366.506 0.252 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986935 493620810 /nfs/dbraw/zinc/62/08/10/493620810.db2.gz ZROLOGWCHWZVNY-WMZOPIPTSA-N 2 2 366.506 0.252 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677902546 493622963 /nfs/dbraw/zinc/62/29/63/493622963.db2.gz GSVIDCHPSQLFDN-SFHVURJKSA-N 2 2 362.474 0.509 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677902546 493622964 /nfs/dbraw/zinc/62/29/64/493622964.db2.gz GSVIDCHPSQLFDN-SFHVURJKSA-N 2 2 362.474 0.509 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000671036537 493626014 /nfs/dbraw/zinc/62/60/14/493626014.db2.gz YGZRLZARKUDJQJ-HNNXBMFYSA-N 2 2 362.474 0.531 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000671036537 493626017 /nfs/dbraw/zinc/62/60/17/493626017.db2.gz YGZRLZARKUDJQJ-HNNXBMFYSA-N 2 2 362.474 0.531 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000671070325 493628873 /nfs/dbraw/zinc/62/88/73/493628873.db2.gz BVXDWSMGFRIGFD-INIZCTEOSA-N 2 2 363.462 0.226 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000671070325 493628876 /nfs/dbraw/zinc/62/88/76/493628876.db2.gz BVXDWSMGFRIGFD-INIZCTEOSA-N 2 2 363.462 0.226 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+]1CCSCC1)C(C)(C)CO ZINC000664094547 493636321 /nfs/dbraw/zinc/63/63/21/493636321.db2.gz CUFGXYHHEPIOHP-ZDUSSCGKSA-N 2 2 355.508 0.828 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129343 493638237 /nfs/dbraw/zinc/63/82/37/493638237.db2.gz FRVYCSMABNGINO-BRWVUGGUSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129343 493638240 /nfs/dbraw/zinc/63/82/40/493638240.db2.gz FRVYCSMABNGINO-BRWVUGGUSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129343 493638243 /nfs/dbraw/zinc/63/82/43/493638243.db2.gz FRVYCSMABNGINO-BRWVUGGUSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000664129343 493638246 /nfs/dbraw/zinc/63/82/46/493638246.db2.gz FRVYCSMABNGINO-BRWVUGGUSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671153047 493644393 /nfs/dbraw/zinc/64/43/93/493644393.db2.gz UMJNRMGAXRCVBP-MRXNPFEDSA-N 2 2 355.442 0.732 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221541 493646015 /nfs/dbraw/zinc/64/60/15/493646015.db2.gz QUARQFPSIVTMAH-BRWVUGGUSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221541 493646017 /nfs/dbraw/zinc/64/60/17/493646017.db2.gz QUARQFPSIVTMAH-BRWVUGGUSA-N 2 2 355.527 0.278 20 0 FCADLP O=c1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc2sccn21 ZINC000678714394 493656864 /nfs/dbraw/zinc/65/68/64/493656864.db2.gz QJQJJRAHYNCUIU-UHFFFAOYSA-N 2 2 364.471 0.415 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671365591 493660934 /nfs/dbraw/zinc/66/09/34/493660934.db2.gz AMEFNEKZNSCOLY-HZPDHXFCSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671365591 493660936 /nfs/dbraw/zinc/66/09/36/493660936.db2.gz AMEFNEKZNSCOLY-HZPDHXFCSA-N 3 2 367.538 0.118 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000671375270 493661716 /nfs/dbraw/zinc/66/17/16/493661716.db2.gz NSGFYMQRHVMQRJ-INIZCTEOSA-N 2 2 363.462 0.274 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)CO1 ZINC000664473003 493661926 /nfs/dbraw/zinc/66/19/26/493661926.db2.gz JHCWUKGQGPBSFG-BURFUSLBSA-N 2 2 368.522 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)CO1 ZINC000664473003 493661928 /nfs/dbraw/zinc/66/19/28/493661928.db2.gz JHCWUKGQGPBSFG-BURFUSLBSA-N 2 2 368.522 0.773 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664472981 493661938 /nfs/dbraw/zinc/66/19/38/493661938.db2.gz IZUNCJSNMDNMNE-KSZLIROESA-N 2 2 366.506 0.480 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000671395319 493664745 /nfs/dbraw/zinc/66/47/45/493664745.db2.gz ZVAUKDFCEFSHOQ-SFHVURJKSA-N 2 2 356.470 0.815 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000671394539 493664783 /nfs/dbraw/zinc/66/47/83/493664783.db2.gz JXHPXRODBKFVBF-UHFFFAOYSA-N 2 2 356.470 0.815 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000664537475 493666310 /nfs/dbraw/zinc/66/63/10/493666310.db2.gz MDQULACRTCQCPW-ZBFHGGJFSA-N 2 2 351.495 0.323 20 0 FCADLP CCNc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000664596198 493670289 /nfs/dbraw/zinc/67/02/89/493670289.db2.gz HGANKFBKIVZIOY-CQSZACIVSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000664596198 493670290 /nfs/dbraw/zinc/67/02/90/493670290.db2.gz HGANKFBKIVZIOY-CQSZACIVSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000664596198 493670292 /nfs/dbraw/zinc/67/02/92/493670292.db2.gz HGANKFBKIVZIOY-CQSZACIVSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000664596198 493670293 /nfs/dbraw/zinc/67/02/93/493670293.db2.gz HGANKFBKIVZIOY-CQSZACIVSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000664596198 493670294 /nfs/dbraw/zinc/67/02/94/493670294.db2.gz HGANKFBKIVZIOY-CQSZACIVSA-N 2 2 363.510 0.971 20 0 FCADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000664596198 493670295 /nfs/dbraw/zinc/67/02/95/493670295.db2.gz HGANKFBKIVZIOY-CQSZACIVSA-N 2 2 363.510 0.971 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000664597651 493670424 /nfs/dbraw/zinc/67/04/24/493670424.db2.gz BWFKADUSUHULIP-DLBZAZTESA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000664597651 493670426 /nfs/dbraw/zinc/67/04/26/493670426.db2.gz BWFKADUSUHULIP-DLBZAZTESA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH+]cn1 ZINC000664597651 493670428 /nfs/dbraw/zinc/67/04/28/493670428.db2.gz BWFKADUSUHULIP-DLBZAZTESA-N 2 2 361.490 0.863 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH+]cn1 ZINC000664597651 493670431 /nfs/dbraw/zinc/67/04/31/493670431.db2.gz BWFKADUSUHULIP-DLBZAZTESA-N 2 2 361.490 0.863 20 0 FCADLP CCOCCOC1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000679159444 493670563 /nfs/dbraw/zinc/67/05/63/493670563.db2.gz XISYYAZSLJJWLS-HNNXBMFYSA-N 2 2 354.495 0.602 20 0 FCADLP CCOCCOC1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000679159444 493670565 /nfs/dbraw/zinc/67/05/65/493670565.db2.gz XISYYAZSLJJWLS-HNNXBMFYSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C[NH+]1CCOCC1 ZINC000679506075 493683962 /nfs/dbraw/zinc/68/39/62/493683962.db2.gz PNMADHPXEGIRJT-AWEZNQCLSA-N 2 2 372.429 0.290 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H](C)[NH+]1CCOCC1 ZINC000679508092 493684415 /nfs/dbraw/zinc/68/44/15/493684415.db2.gz PDCLMQATJOGJAR-KBPBESRZSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815046 493684763 /nfs/dbraw/zinc/68/47/63/493684763.db2.gz KHPDNRLQAVIFEH-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815046 493684765 /nfs/dbraw/zinc/68/47/65/493684765.db2.gz KHPDNRLQAVIFEH-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815046 493684767 /nfs/dbraw/zinc/68/47/67/493684767.db2.gz KHPDNRLQAVIFEH-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)CO1 ZINC000664815046 493684769 /nfs/dbraw/zinc/68/47/69/493684769.db2.gz KHPDNRLQAVIFEH-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671820097 493707526 /nfs/dbraw/zinc/70/75/26/493707526.db2.gz GNGZUBJZRIXRIR-DOTOQJQBSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671820097 493707527 /nfs/dbraw/zinc/70/75/27/493707527.db2.gz GNGZUBJZRIXRIR-DOTOQJQBSA-N 3 2 367.538 0.070 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000671849232 493708642 /nfs/dbraw/zinc/70/86/42/493708642.db2.gz YLWCBWFPCSYWPV-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP CN(C(=O)C(=O)NCCOCC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671883326 493711284 /nfs/dbraw/zinc/71/12/84/493711284.db2.gz VJIPSVXJOPAKOL-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NCCOCC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671883326 493711287 /nfs/dbraw/zinc/71/12/87/493711287.db2.gz VJIPSVXJOPAKOL-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368036 493712593 /nfs/dbraw/zinc/71/25/93/493712593.db2.gz BSDKBAZOADCTKE-CABCVRRESA-N 2 2 353.511 0.696 20 0 FCADLP CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368036 493712594 /nfs/dbraw/zinc/71/25/94/493712594.db2.gz BSDKBAZOADCTKE-CABCVRRESA-N 2 2 353.511 0.696 20 0 FCADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000680338950 493714587 /nfs/dbraw/zinc/71/45/87/493714587.db2.gz MANKNQRWOVGLKN-LJQANCHMSA-N 2 2 360.502 0.732 20 0 FCADLP C[C@H](C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000680424269 493716340 /nfs/dbraw/zinc/71/63/40/493716340.db2.gz KCKOIYRQTWQZEE-MRXNPFEDSA-N 2 2 373.501 0.649 20 0 FCADLP CN(C(=O)c1cnc2c(c1)nnn2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680438358 493717087 /nfs/dbraw/zinc/71/70/87/493717087.db2.gz BLKRXMZCEUSWFF-OAHLLOKOSA-N 2 2 357.462 0.604 20 0 FCADLP CN(C(=O)c1cnc2c(c1)nnn2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680438358 493717089 /nfs/dbraw/zinc/71/70/89/493717089.db2.gz BLKRXMZCEUSWFF-OAHLLOKOSA-N 2 2 357.462 0.604 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671963971 493719311 /nfs/dbraw/zinc/71/93/11/493719311.db2.gz OGESXULXIJPZPW-OAHLLOKOSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671963971 493719314 /nfs/dbraw/zinc/71/93/14/493719314.db2.gz OGESXULXIJPZPW-OAHLLOKOSA-N 2 2 359.474 0.291 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680507982 493720827 /nfs/dbraw/zinc/72/08/27/493720827.db2.gz DUVRYLQFPPJMLG-KRWDZBQOSA-N 3 2 369.554 0.813 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680507982 493720829 /nfs/dbraw/zinc/72/08/29/493720829.db2.gz DUVRYLQFPPJMLG-KRWDZBQOSA-N 3 2 369.554 0.813 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672010160 493723991 /nfs/dbraw/zinc/72/39/91/493723991.db2.gz AZEUIEAPWIMVCK-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672203898 493742138 /nfs/dbraw/zinc/74/21/38/493742138.db2.gz ZQXQKQFXWFTMBG-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672203898 493742140 /nfs/dbraw/zinc/74/21/40/493742140.db2.gz ZQXQKQFXWFTMBG-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CO[C@@]1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218783 493752281 /nfs/dbraw/zinc/75/22/81/493752281.db2.gz MQCDWEZASBQUIT-FUHWJXTLSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@]1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000681218783 493752282 /nfs/dbraw/zinc/75/22/82/493752282.db2.gz MQCDWEZASBQUIT-FUHWJXTLSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000672311960 493755189 /nfs/dbraw/zinc/75/51/89/493755189.db2.gz XBWPRBGCNGXDRU-DJIMGWMZSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000672311960 493755191 /nfs/dbraw/zinc/75/51/91/493755191.db2.gz XBWPRBGCNGXDRU-DJIMGWMZSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000410699464 534286429 /nfs/dbraw/zinc/28/64/29/534286429.db2.gz HHFLVKMLYVWMMW-SJORKVTESA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000410699464 534286430 /nfs/dbraw/zinc/28/64/30/534286430.db2.gz HHFLVKMLYVWMMW-SJORKVTESA-N 2 2 358.486 0.882 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419973720 536449041 /nfs/dbraw/zinc/44/90/41/536449041.db2.gz ICTQHADMTABYGK-MRXNPFEDSA-N 2 2 362.474 0.181 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000410892595 527825983 /nfs/dbraw/zinc/82/59/83/527825983.db2.gz WQOFBPQXQKPMRU-IRXDYDNUSA-N 2 2 368.522 0.356 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000410892595 527825991 /nfs/dbraw/zinc/82/59/91/527825991.db2.gz WQOFBPQXQKPMRU-IRXDYDNUSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410950334 527891530 /nfs/dbraw/zinc/89/15/30/527891530.db2.gz XXNHZIQJOXITPY-CVEARBPZSA-N 2 2 374.489 0.139 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410950334 527891537 /nfs/dbraw/zinc/89/15/37/527891537.db2.gz XXNHZIQJOXITPY-CVEARBPZSA-N 2 2 374.489 0.139 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000410712403 527920876 /nfs/dbraw/zinc/92/08/76/527920876.db2.gz OKCBQWXGDRJCEY-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000410712403 527920882 /nfs/dbraw/zinc/92/08/82/527920882.db2.gz OKCBQWXGDRJCEY-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000410712403 527920885 /nfs/dbraw/zinc/92/08/85/527920885.db2.gz OKCBQWXGDRJCEY-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000410712403 527920892 /nfs/dbraw/zinc/92/08/92/527920892.db2.gz OKCBQWXGDRJCEY-DLBZAZTESA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@H]1C ZINC000410700410 527959896 /nfs/dbraw/zinc/95/98/96/527959896.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@H]1C ZINC000410700410 527959904 /nfs/dbraw/zinc/95/99/04/527959904.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1C ZINC000410700410 527959909 /nfs/dbraw/zinc/95/99/09/527959909.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@H]1C ZINC000410700410 527959914 /nfs/dbraw/zinc/95/99/14/527959914.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C ZINC000410700410 527959918 /nfs/dbraw/zinc/95/99/18/527959918.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@H]1C ZINC000410700410 527959922 /nfs/dbraw/zinc/95/99/22/527959922.db2.gz JUIJXKCHSSNAHH-SJORKVTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C ZINC000410705789 527962827 /nfs/dbraw/zinc/96/28/27/527962827.db2.gz WLPRJNOLAHKVEE-OAGGEKHMSA-N 2 2 368.522 0.231 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C ZINC000410705789 527962830 /nfs/dbraw/zinc/96/28/30/527962830.db2.gz WLPRJNOLAHKVEE-OAGGEKHMSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C ZINC000410705789 527962835 /nfs/dbraw/zinc/96/28/35/527962835.db2.gz WLPRJNOLAHKVEE-OAGGEKHMSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C[C@H]1C ZINC000410705789 527962838 /nfs/dbraw/zinc/96/28/38/527962838.db2.gz WLPRJNOLAHKVEE-OAGGEKHMSA-N 2 2 368.522 0.231 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000410912957 528065299 /nfs/dbraw/zinc/06/52/99/528065299.db2.gz VRBAYFWRNLFFIV-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410700804 528738555 /nfs/dbraw/zinc/73/85/55/528738555.db2.gz UCNDSARLHVIMOA-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410700804 528738561 /nfs/dbraw/zinc/73/85/61/528738561.db2.gz UCNDSARLHVIMOA-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000410778617 528887608 /nfs/dbraw/zinc/88/76/08/528887608.db2.gz ZEEPFNZPLCCMHG-MRXNPFEDSA-N 2 2 356.511 0.089 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+](CCN3CCCS3(=O)=O)CC2)CC1 ZINC000409448526 528992427 /nfs/dbraw/zinc/99/24/27/528992427.db2.gz SFKMNKJDXYCDHK-UHFFFAOYSA-N 2 2 358.552 0.512 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CCN(CCN3CCCS3(=O)=O)CC2)CC1 ZINC000409448526 528992431 /nfs/dbraw/zinc/99/24/31/528992431.db2.gz SFKMNKJDXYCDHK-UHFFFAOYSA-N 2 2 358.552 0.512 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1CCOC ZINC000410474673 529263316 /nfs/dbraw/zinc/26/33/16/529263316.db2.gz LJOWEEGCJXNDQC-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1CCOC ZINC000410474673 529263317 /nfs/dbraw/zinc/26/33/17/529263317.db2.gz LJOWEEGCJXNDQC-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410474673 529263321 /nfs/dbraw/zinc/26/33/21/529263321.db2.gz LJOWEEGCJXNDQC-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410474673 529263322 /nfs/dbraw/zinc/26/33/22/529263322.db2.gz LJOWEEGCJXNDQC-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCO1 ZINC000410824873 529348102 /nfs/dbraw/zinc/34/81/02/529348102.db2.gz NJRBHENIYLFUST-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCO1 ZINC000410824873 529348104 /nfs/dbraw/zinc/34/81/04/529348104.db2.gz NJRBHENIYLFUST-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424487309 535074134 /nfs/dbraw/zinc/07/41/34/535074134.db2.gz ASRKKXPVILIBCY-GJZGRUSLSA-N 2 2 374.476 0.974 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424487309 535074140 /nfs/dbraw/zinc/07/41/40/535074140.db2.gz ASRKKXPVILIBCY-GJZGRUSLSA-N 2 2 374.476 0.974 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)NC3CCOCC3)CC2)CC1 ZINC000441085043 535156057 /nfs/dbraw/zinc/15/60/57/535156057.db2.gz BNPOCDNZBDZMSI-UHFFFAOYSA-N 2 2 352.523 0.772 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)[C@@H]1CC[NH2+]C1 ZINC000423667575 535187532 /nfs/dbraw/zinc/18/75/32/535187532.db2.gz ULVWJFFTSWYQGX-CABCVRRESA-N 2 2 362.478 0.215 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419981785 535361218 /nfs/dbraw/zinc/36/12/18/535361218.db2.gz UPSMPJHLKFGLMO-HNNXBMFYSA-N 2 2 354.495 0.237 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419981785 535361224 /nfs/dbraw/zinc/36/12/24/535361224.db2.gz UPSMPJHLKFGLMO-HNNXBMFYSA-N 2 2 354.495 0.237 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442599871 535595110 /nfs/dbraw/zinc/59/51/10/535595110.db2.gz CDNARZDHKIBNKK-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442599871 535595118 /nfs/dbraw/zinc/59/51/18/535595118.db2.gz CDNARZDHKIBNKK-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000423570962 535604717 /nfs/dbraw/zinc/60/47/17/535604717.db2.gz UDAGTOBRFDPNMM-HNAYVOBHSA-N 2 2 374.489 0.217 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)CC1(C[NH3+])CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000423349370 535656438 /nfs/dbraw/zinc/65/64/38/535656438.db2.gz WJQLGQGXOGGHGA-GDBMZVCRSA-N 2 2 354.495 0.095 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423360945 535701605 /nfs/dbraw/zinc/70/16/05/535701605.db2.gz GHNWNWIUFRCANE-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419953660 535701887 /nfs/dbraw/zinc/70/18/87/535701887.db2.gz LGBWWDYKQWIIAH-OAHLLOKOSA-N 2 2 361.490 0.858 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435681669 535792392 /nfs/dbraw/zinc/79/23/92/535792392.db2.gz JFHDABFOKLEHDO-KBPBESRZSA-N 2 2 362.478 0.598 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415187304 536144502 /nfs/dbraw/zinc/14/45/02/536144502.db2.gz LXPICKNPYYUODI-HNNXBMFYSA-N 2 2 364.446 0.190 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415187304 536144503 /nfs/dbraw/zinc/14/45/03/536144503.db2.gz LXPICKNPYYUODI-HNNXBMFYSA-N 2 2 364.446 0.190 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000423310992 536355617 /nfs/dbraw/zinc/35/56/17/536355617.db2.gz BCCPACOWZHHHBS-NVXWUHKLSA-N 2 2 359.474 0.497 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000419148815 536417133 /nfs/dbraw/zinc/41/71/33/536417133.db2.gz JIWMADUTLQCYLO-INIZCTEOSA-N 2 2 355.442 0.562 20 0 FCADLP CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830865 546534836 /nfs/dbraw/zinc/53/48/36/546534836.db2.gz PWUYPEHMKPQGNM-HOCLYGCPSA-N 2 2 357.520 0.438 20 0 FCADLP CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830865 546534840 /nfs/dbraw/zinc/53/48/40/546534840.db2.gz PWUYPEHMKPQGNM-HOCLYGCPSA-N 2 2 357.520 0.438 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@@H](C)O1 ZINC000332830296 546857028 /nfs/dbraw/zinc/85/70/28/546857028.db2.gz QMCNLWCOCWQUKX-OAGGEKHMSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H](C)O1 ZINC000332830296 546857034 /nfs/dbraw/zinc/85/70/34/546857034.db2.gz QMCNLWCOCWQUKX-OAGGEKHMSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C[C@@H](C)O1 ZINC000332830296 546857043 /nfs/dbraw/zinc/85/70/43/546857043.db2.gz QMCNLWCOCWQUKX-OAGGEKHMSA-N 2 2 355.527 0.419 20 0 FCADLP CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000332897291 546857678 /nfs/dbraw/zinc/85/76/78/546857678.db2.gz MKRMMGFFADCXEA-AWEZNQCLSA-N 2 2 351.495 0.465 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000647940316 546872634 /nfs/dbraw/zinc/87/26/34/546872634.db2.gz SWNHCSMNRVEEOJ-BBRMVZONSA-N 2 2 368.503 0.935 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000647940316 546872636 /nfs/dbraw/zinc/87/26/36/546872636.db2.gz SWNHCSMNRVEEOJ-BBRMVZONSA-N 2 2 368.503 0.935 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000151425681 546906027 /nfs/dbraw/zinc/90/60/27/546906027.db2.gz ZXHWCKOCSLDHJV-ZACQAIPSSA-N 2 2 355.527 0.278 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000151425681 546906030 /nfs/dbraw/zinc/90/60/30/546906030.db2.gz ZXHWCKOCSLDHJV-ZACQAIPSSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000151425681 546906032 /nfs/dbraw/zinc/90/60/32/546906032.db2.gz ZXHWCKOCSLDHJV-ZACQAIPSSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000151425681 546906036 /nfs/dbraw/zinc/90/60/36/546906036.db2.gz ZXHWCKOCSLDHJV-ZACQAIPSSA-N 2 2 355.527 0.278 20 0 FCADLP COC1([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000641788338 546956827 /nfs/dbraw/zinc/95/68/27/546956827.db2.gz YJRXTFSKRGNKLA-ZWKOTPCHSA-N 2 2 355.523 0.957 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000546622923 547043961 /nfs/dbraw/zinc/04/39/61/547043961.db2.gz GPNXHWGGCWEABR-OAHLLOKOSA-N 2 2 361.508 0.418 20 0 FCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281498 547051190 /nfs/dbraw/zinc/05/11/90/547051190.db2.gz BBTULMKLJIJQEV-YOEHRIQHSA-N 2 2 353.488 0.944 20 0 FCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281498 547051194 /nfs/dbraw/zinc/05/11/94/547051194.db2.gz BBTULMKLJIJQEV-YOEHRIQHSA-N 2 2 353.488 0.944 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000549978229 547075628 /nfs/dbraw/zinc/07/56/28/547075628.db2.gz XMTDHIGUENPGCH-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000550687205 547096960 /nfs/dbraw/zinc/09/69/60/547096960.db2.gz STGKUOPSWUEYCP-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000551074193 547124781 /nfs/dbraw/zinc/12/47/81/547124781.db2.gz GEXLVBIISIGQFI-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000552231468 547196291 /nfs/dbraw/zinc/19/62/91/547196291.db2.gz CRBUJAASBFCITL-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000552231468 547196298 /nfs/dbraw/zinc/19/62/98/547196298.db2.gz CRBUJAASBFCITL-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000552499134 547213451 /nfs/dbraw/zinc/21/34/51/547213451.db2.gz VLXOLWUCTKQJNS-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000552984807 547243749 /nfs/dbraw/zinc/24/37/49/547243749.db2.gz HHINAGIWVITAPR-HZPDHXFCSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000552984807 547243753 /nfs/dbraw/zinc/24/37/53/547243753.db2.gz HHINAGIWVITAPR-HZPDHXFCSA-N 2 2 370.563 0.825 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000553281060 547267381 /nfs/dbraw/zinc/26/73/81/547267381.db2.gz YBMIHDLPAQONAD-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000553281060 547267384 /nfs/dbraw/zinc/26/73/84/547267384.db2.gz YBMIHDLPAQONAD-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000553281061 547267695 /nfs/dbraw/zinc/26/76/95/547267695.db2.gz YBMIHDLPAQONAD-PMPSAXMXSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000553281061 547267700 /nfs/dbraw/zinc/26/77/00/547267700.db2.gz YBMIHDLPAQONAD-PMPSAXMXSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000553599107 547293544 /nfs/dbraw/zinc/29/35/44/547293544.db2.gz KDLLVOKGVDRAJS-HLLBOEOZSA-N 2 2 356.536 0.928 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000553617412 547294566 /nfs/dbraw/zinc/29/45/66/547294566.db2.gz BVWHLXRKFHPKMD-SOUVJXGZSA-N 2 2 356.511 0.304 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000047617941 547413027 /nfs/dbraw/zinc/41/30/27/547413027.db2.gz FLKIMSVWJNBXHA-UHFFFAOYSA-N 2 2 354.495 0.653 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736275334 598527617 /nfs/dbraw/zinc/52/76/17/598527617.db2.gz BVMXHQNTFDRKFG-ZIAGYGMSSA-N 2 2 359.482 0.815 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCCC2)CC1 ZINC000897830923 665776074 /nfs/dbraw/zinc/77/60/74/665776074.db2.gz VZPZIGXKSGTRLO-UHFFFAOYSA-N 2 2 361.508 0.419 20 0 FCADLP C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099754 663310566 /nfs/dbraw/zinc/31/05/66/663310566.db2.gz VPHBDCBIUFFEKD-NUJGCVRESA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099754 663310569 /nfs/dbraw/zinc/31/05/69/663310569.db2.gz VPHBDCBIUFFEKD-NUJGCVRESA-N 2 2 356.511 0.896 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000325797093 663333580 /nfs/dbraw/zinc/33/35/80/663333580.db2.gz HOXRLQLWDWLJEO-HLLBOEOZSA-N 2 2 354.472 0.576 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000325797093 663333583 /nfs/dbraw/zinc/33/35/83/663333583.db2.gz HOXRLQLWDWLJEO-HLLBOEOZSA-N 2 2 354.472 0.576 20 0 FCADLP Nc1cc[nH+]c(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000891412422 663385715 /nfs/dbraw/zinc/38/57/15/663385715.db2.gz YATXKWXUIFXJQR-INIZCTEOSA-N 2 2 351.476 0.671 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000891472615 663408337 /nfs/dbraw/zinc/40/83/37/663408337.db2.gz OALGMRPSHQPJLX-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000891472615 663408338 /nfs/dbraw/zinc/40/83/38/663408338.db2.gz OALGMRPSHQPJLX-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP C[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000891515950 663411261 /nfs/dbraw/zinc/41/12/61/663411261.db2.gz DEIGCSQPCLNORF-VXGBXAGGSA-N 2 2 353.492 0.779 20 0 FCADLP C[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000891515948 663411327 /nfs/dbraw/zinc/41/13/27/663411327.db2.gz DEIGCSQPCLNORF-RYUDHWBXSA-N 2 2 353.492 0.779 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275906 663428885 /nfs/dbraw/zinc/42/88/85/663428885.db2.gz UYUUREWROPEGGL-OEYIWLLWSA-N 2 2 350.467 0.062 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275906 663428886 /nfs/dbraw/zinc/42/88/86/663428886.db2.gz UYUUREWROPEGGL-OEYIWLLWSA-N 2 2 350.467 0.062 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933843137 663444101 /nfs/dbraw/zinc/44/41/01/663444101.db2.gz VAZVNXSBSJZBBZ-TVFCKZIOSA-N 2 2 351.491 0.951 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933843137 663444102 /nfs/dbraw/zinc/44/41/02/663444102.db2.gz VAZVNXSBSJZBBZ-TVFCKZIOSA-N 2 2 351.491 0.951 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001022472968 663455344 /nfs/dbraw/zinc/45/53/44/663455344.db2.gz HCOHSMQMOLYEGW-XDNAFOTISA-N 2 2 351.491 0.903 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001022736139 663507067 /nfs/dbraw/zinc/50/70/67/663507067.db2.gz OKEDVWJBKZRXBT-UXXRCYHCSA-N 2 2 366.487 0.195 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cnnn2C)O1 ZINC001024506317 663956860 /nfs/dbraw/zinc/95/68/60/663956860.db2.gz KKKFIAQQRKESEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cnnn2C)O1 ZINC001024506317 663956862 /nfs/dbraw/zinc/95/68/62/663956862.db2.gz KKKFIAQQRKESEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnnn2C)O1 ZINC001024506317 663956863 /nfs/dbraw/zinc/95/68/63/663956863.db2.gz KKKFIAQQRKESEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cnnn2C)O1 ZINC001024506317 663956864 /nfs/dbraw/zinc/95/68/64/663956864.db2.gz KKKFIAQQRKESEQ-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cnn(CCF)c3)C2)CC1 ZINC000893022092 664200222 /nfs/dbraw/zinc/20/02/22/664200222.db2.gz JVJUBYNFGGFRML-HNNXBMFYSA-N 2 2 352.458 0.820 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cnn(CCF)c3)C2)CC1 ZINC000893022092 664200225 /nfs/dbraw/zinc/20/02/25/664200225.db2.gz JVJUBYNFGGFRML-HNNXBMFYSA-N 2 2 352.458 0.820 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cn(C)nn2)O1 ZINC000960043103 674614036 /nfs/dbraw/zinc/61/40/36/674614036.db2.gz BVZBPGMPNRSHBR-VNQPRFMTSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cn(C)nn2)O1 ZINC000960043103 674614040 /nfs/dbraw/zinc/61/40/40/674614040.db2.gz BVZBPGMPNRSHBR-VNQPRFMTSA-N 2 2 350.467 0.005 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978504668 664439800 /nfs/dbraw/zinc/43/98/00/664439800.db2.gz DPFACTDCZGSPEH-DZVNLGKHSA-N 2 2 351.491 0.569 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978504668 664439802 /nfs/dbraw/zinc/43/98/02/664439802.db2.gz DPFACTDCZGSPEH-DZVNLGKHSA-N 2 2 351.491 0.569 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@@H+]1C ZINC001028550563 664901603 /nfs/dbraw/zinc/90/16/03/664901603.db2.gz QPQLAJBURZFHTB-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ncnn3CCF)C2)CC[N@H+]1C ZINC001028550563 664901605 /nfs/dbraw/zinc/90/16/05/664901605.db2.gz QPQLAJBURZFHTB-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028550563 664901607 /nfs/dbraw/zinc/90/16/07/664901607.db2.gz QPQLAJBURZFHTB-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CCF)C2)CC[NH+]1C ZINC001028550563 664901608 /nfs/dbraw/zinc/90/16/08/664901608.db2.gz QPQLAJBURZFHTB-RBSFLKMASA-N 2 2 352.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001028550129 664901687 /nfs/dbraw/zinc/90/16/87/664901687.db2.gz HXOHXROIRQOGCK-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001028550129 664901690 /nfs/dbraw/zinc/90/16/90/664901690.db2.gz HXOHXROIRQOGCK-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550129 664901692 /nfs/dbraw/zinc/90/16/92/664901692.db2.gz HXOHXROIRQOGCK-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550129 664901695 /nfs/dbraw/zinc/90/16/95/664901695.db2.gz HXOHXROIRQOGCK-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001028627494 664930552 /nfs/dbraw/zinc/93/05/52/664930552.db2.gz DICVNLWFMWOXGN-UMVBOHGHSA-N 2 2 368.503 0.809 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001028627494 664930553 /nfs/dbraw/zinc/93/05/53/664930553.db2.gz DICVNLWFMWOXGN-UMVBOHGHSA-N 2 2 368.503 0.809 20 0 FCADLP CCc1cnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630131 664931095 /nfs/dbraw/zinc/93/10/95/664931095.db2.gz YEUVOAGMDVQMSG-IJEWVQPXSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630131 664931097 /nfs/dbraw/zinc/93/10/97/664931097.db2.gz YEUVOAGMDVQMSG-IJEWVQPXSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630131 664931099 /nfs/dbraw/zinc/93/10/99/664931099.db2.gz YEUVOAGMDVQMSG-IJEWVQPXSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630131 664931100 /nfs/dbraw/zinc/93/11/00/664931100.db2.gz YEUVOAGMDVQMSG-IJEWVQPXSA-N 2 2 350.463 0.894 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323565 665038041 /nfs/dbraw/zinc/03/80/41/665038041.db2.gz DMMUZZLOEQGTSH-MJGOQNOKSA-N 2 2 350.459 0.715 20 0 FCADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895323565 665038042 /nfs/dbraw/zinc/03/80/42/665038042.db2.gz DMMUZZLOEQGTSH-MJGOQNOKSA-N 2 2 350.459 0.715 20 0 FCADLP COC(=O)c1occc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895688796 665055212 /nfs/dbraw/zinc/05/52/12/665055212.db2.gz ZPEMRNISPNTAAR-MRXNPFEDSA-N 2 2 351.447 0.952 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000896367545 665082308 /nfs/dbraw/zinc/08/23/08/665082308.db2.gz UNWXIIVGZYZEGY-HOCLYGCPSA-N 2 2 352.479 0.892 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000896367545 665082309 /nfs/dbraw/zinc/08/23/09/665082309.db2.gz UNWXIIVGZYZEGY-HOCLYGCPSA-N 2 2 352.479 0.892 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562081 665094858 /nfs/dbraw/zinc/09/48/58/665094858.db2.gz DRTFELVVGCAJKR-BPQIPLTHSA-N 2 2 354.539 0.874 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000896562081 665094860 /nfs/dbraw/zinc/09/48/60/665094860.db2.gz DRTFELVVGCAJKR-BPQIPLTHSA-N 2 2 354.539 0.874 20 0 FCADLP Cc1nnsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766859 665171249 /nfs/dbraw/zinc/17/12/49/665171249.db2.gz HUGJHVVICBNGLM-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnsc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766859 665171250 /nfs/dbraw/zinc/17/12/50/665171250.db2.gz HUGJHVVICBNGLM-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766859 665171251 /nfs/dbraw/zinc/17/12/51/665171251.db2.gz HUGJHVVICBNGLM-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnsc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766859 665171252 /nfs/dbraw/zinc/17/12/52/665171252.db2.gz HUGJHVVICBNGLM-VHDGCEQUSA-N 2 2 367.519 0.846 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121275 666186782 /nfs/dbraw/zinc/18/67/82/666186782.db2.gz YTNGMTSLZOUVRE-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000908121275 666186784 /nfs/dbraw/zinc/18/67/84/666186784.db2.gz YTNGMTSLZOUVRE-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC([NH+]2CCOCC2)CC1 ZINC000909028520 666223908 /nfs/dbraw/zinc/22/39/08/666223908.db2.gz SWWORTIHQGKVSW-OWCVQMPJSA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC([NH+]2CCOCC2)CC1 ZINC000909028520 666223910 /nfs/dbraw/zinc/22/39/10/666223910.db2.gz SWWORTIHQGKVSW-OWCVQMPJSA-N 2 2 351.491 0.857 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000909030236 666223975 /nfs/dbraw/zinc/22/39/75/666223975.db2.gz CRVSYPPTUNQXQS-OWCLPIDISA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000909030236 666223976 /nfs/dbraw/zinc/22/39/76/666223976.db2.gz CRVSYPPTUNQXQS-OWCLPIDISA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000909030236 666223977 /nfs/dbraw/zinc/22/39/77/666223977.db2.gz CRVSYPPTUNQXQS-OWCLPIDISA-N 2 2 355.479 0.175 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000911065435 666309067 /nfs/dbraw/zinc/30/90/67/666309067.db2.gz CEEAFNGPJBOSRY-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911561950 666366322 /nfs/dbraw/zinc/36/63/22/666366322.db2.gz ILIYZAUNYLRJRP-XHSDSOJGSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911561950 666366323 /nfs/dbraw/zinc/36/63/23/666366323.db2.gz ILIYZAUNYLRJRP-XHSDSOJGSA-N 2 2 354.495 0.202 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000912239655 666395984 /nfs/dbraw/zinc/39/59/84/666395984.db2.gz YLHDNNHMZZHMOP-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000912239655 666395987 /nfs/dbraw/zinc/39/59/87/666395987.db2.gz YLHDNNHMZZHMOP-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000912239654 666396111 /nfs/dbraw/zinc/39/61/11/666396111.db2.gz YLHDNNHMZZHMOP-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000912239654 666396114 /nfs/dbraw/zinc/39/61/14/666396114.db2.gz YLHDNNHMZZHMOP-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031868690 666537721 /nfs/dbraw/zinc/53/77/21/666537721.db2.gz GGIFMRXSNZPETE-NXHRZFHOSA-N 2 2 353.507 0.960 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000172584476 666602259 /nfs/dbraw/zinc/60/22/59/666602259.db2.gz SFYYSVWTRQUZHH-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000172584476 666602262 /nfs/dbraw/zinc/60/22/62/666602262.db2.gz SFYYSVWTRQUZHH-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000172584476 666602264 /nfs/dbraw/zinc/60/22/64/666602264.db2.gz SFYYSVWTRQUZHH-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000172584476 666602266 /nfs/dbraw/zinc/60/22/66/666602266.db2.gz SFYYSVWTRQUZHH-JKSUJKDBSA-N 2 2 354.495 0.949 20 0 FCADLP CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991974155 666611211 /nfs/dbraw/zinc/61/12/11/666611211.db2.gz LEKPEZRONXNCHJ-SFNKJDCFSA-N 2 2 351.491 0.999 20 0 FCADLP CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@@H]12 ZINC000991974155 666611214 /nfs/dbraw/zinc/61/12/14/666611214.db2.gz LEKPEZRONXNCHJ-SFNKJDCFSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@]3(C)CCCS3(=O)=O)c2)CC1 ZINC000913665413 666640359 /nfs/dbraw/zinc/64/03/59/666640359.db2.gz ILOQQNKXPUQPOC-INIZCTEOSA-N 2 2 352.460 0.739 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)[nH]1 ZINC000995959624 666896976 /nfs/dbraw/zinc/89/69/76/666896976.db2.gz QSBBRNLALAFHOL-MRVWCRGKSA-N 2 2 350.467 0.159 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)[nH]1 ZINC000995959624 666896979 /nfs/dbraw/zinc/89/69/79/666896979.db2.gz QSBBRNLALAFHOL-MRVWCRGKSA-N 2 2 350.467 0.159 20 0 FCADLP CC1(C)CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]CCF ZINC000996074622 666898877 /nfs/dbraw/zinc/89/88/77/666898877.db2.gz BLIWGNFJWWGCQJ-OWCLPIDISA-N 2 2 357.470 0.662 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000993579475 666917815 /nfs/dbraw/zinc/91/78/15/666917815.db2.gz QDOYVGKMWXOJLF-UTUOFQBUSA-N 2 2 355.389 0.190 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000993579475 666917819 /nfs/dbraw/zinc/91/78/19/666917819.db2.gz QDOYVGKMWXOJLF-UTUOFQBUSA-N 2 2 355.389 0.190 20 0 FCADLP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712407 666963629 /nfs/dbraw/zinc/96/36/29/666963629.db2.gz NWSZFDBXTMXRTQ-TYNCELHUSA-N 2 2 351.451 0.739 20 0 FCADLP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000996712407 666963632 /nfs/dbraw/zinc/96/36/32/666963632.db2.gz NWSZFDBXTMXRTQ-TYNCELHUSA-N 2 2 351.451 0.739 20 0 FCADLP CC(C)[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921201453 667271168 /nfs/dbraw/zinc/27/11/68/667271168.db2.gz FCJWMABAGSZAJX-JKIFEVAISA-N 2 2 354.495 0.186 20 0 FCADLP CC(C)[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000921201453 667271171 /nfs/dbraw/zinc/27/11/71/667271171.db2.gz FCJWMABAGSZAJX-JKIFEVAISA-N 2 2 354.495 0.186 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000757652589 667731449 /nfs/dbraw/zinc/73/14/49/667731449.db2.gz RSWCXRPBNRQFPE-UHFFFAOYSA-N 2 2 354.495 0.997 20 0 FCADLP CCn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001034971547 667772467 /nfs/dbraw/zinc/77/24/67/667772467.db2.gz PIFQRPLUTSYLSR-FVQBIDKESA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001034971547 667772469 /nfs/dbraw/zinc/77/24/69/667772469.db2.gz PIFQRPLUTSYLSR-FVQBIDKESA-N 2 2 350.467 0.098 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncc(Cl)n2C)O1 ZINC001034975802 667772826 /nfs/dbraw/zinc/77/28/26/667772826.db2.gz WYSFLWRPDWJMNE-MGPQQGTHSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncc(Cl)n2C)O1 ZINC001034975802 667772830 /nfs/dbraw/zinc/77/28/30/667772830.db2.gz WYSFLWRPDWJMNE-MGPQQGTHSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923322956 667825139 /nfs/dbraw/zinc/82/51/39/667825139.db2.gz SRSKEGJOALNRNQ-QCPWZWHMSA-N 2 2 350.438 0.621 20 0 FCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764466380 667984336 /nfs/dbraw/zinc/98/43/36/667984336.db2.gz KABSPNVWGRVTCR-SJORKVTESA-N 2 2 361.552 0.396 20 0 FCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764466380 667984337 /nfs/dbraw/zinc/98/43/37/667984337.db2.gz KABSPNVWGRVTCR-SJORKVTESA-N 2 2 361.552 0.396 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741863659 668024264 /nfs/dbraw/zinc/02/42/64/668024264.db2.gz MNTSABSVDMMEFT-MRXNPFEDSA-N 2 2 356.536 0.237 20 0 FCADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000779035305 668404168 /nfs/dbraw/zinc/40/41/68/668404168.db2.gz DSXICSDBHUAQQB-HUUCEWRRSA-N 2 2 354.495 0.996 20 0 FCADLP Cn1nc(Br)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000785470419 668714244 /nfs/dbraw/zinc/71/42/44/668714244.db2.gz PHGZDZZDQSBDEY-ZDUSSCGKSA-N 2 2 372.311 0.679 20 0 FCADLP COCCOC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364512 668875309 /nfs/dbraw/zinc/87/53/09/668875309.db2.gz YYIASAGNJNQVJE-GOSISDBHSA-N 2 2 353.463 0.988 20 0 FCADLP CS[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000807761739 669512952 /nfs/dbraw/zinc/51/29/52/669512952.db2.gz KASUXSCXVPYDCG-ZBFHGGJFSA-N 2 2 370.563 0.871 20 0 FCADLP CS[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000807761739 669512956 /nfs/dbraw/zinc/51/29/56/669512956.db2.gz KASUXSCXVPYDCG-ZBFHGGJFSA-N 2 2 370.563 0.871 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnsn2)C3)O1 ZINC000964030626 675036653 /nfs/dbraw/zinc/03/66/53/675036653.db2.gz SKKZLPJHUSUAKT-OFVUARNUSA-N 2 2 365.503 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC3(C2)CC([NH2+]Cc2cnsn2)C3)O1 ZINC000964030626 675036655 /nfs/dbraw/zinc/03/66/55/675036655.db2.gz SKKZLPJHUSUAKT-OFVUARNUSA-N 2 2 365.503 0.774 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879469 669777159 /nfs/dbraw/zinc/77/71/59/669777159.db2.gz VOPHZLQHLLCADZ-CQSZACIVSA-N 2 2 362.540 0.523 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879469 669777163 /nfs/dbraw/zinc/77/71/63/669777163.db2.gz VOPHZLQHLLCADZ-CQSZACIVSA-N 2 2 362.540 0.523 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)c1 ZINC000831389278 669843728 /nfs/dbraw/zinc/84/37/28/669843728.db2.gz LAHDULANUJDYTB-GOSISDBHSA-N 2 2 351.422 0.920 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC(C)(C)OC1=O ZINC000813644207 669846419 /nfs/dbraw/zinc/84/64/19/669846419.db2.gz HWDPTEQBCLOSRZ-UKRRQHHQSA-N 2 2 352.479 0.890 20 0 FCADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC(C)(C)OC1=O ZINC000813644207 669846423 /nfs/dbraw/zinc/84/64/23/669846423.db2.gz HWDPTEQBCLOSRZ-UKRRQHHQSA-N 2 2 352.479 0.890 20 0 FCADLP C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2Cl)CC1 ZINC000841144946 670536874 /nfs/dbraw/zinc/53/68/74/670536874.db2.gz NNTKJFKTZWMMDB-UHFFFAOYSA-N 2 2 365.865 0.462 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843353152 670804142 /nfs/dbraw/zinc/80/41/42/670804142.db2.gz SLSLDZSWIPAWMA-ZDUSSCGKSA-N 2 2 351.451 0.346 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843353152 670804150 /nfs/dbraw/zinc/80/41/50/670804150.db2.gz SLSLDZSWIPAWMA-ZDUSSCGKSA-N 2 2 351.451 0.346 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000109700596 671423635 /nfs/dbraw/zinc/42/36/35/671423635.db2.gz LJIRCMWEMCADNC-ZNMIVQPWSA-N 2 2 359.536 0.873 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000109700596 671423639 /nfs/dbraw/zinc/42/36/39/671423639.db2.gz LJIRCMWEMCADNC-ZNMIVQPWSA-N 2 2 359.536 0.873 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cscn4)C[C@@H]3C2)O1 ZINC001048891296 675906350 /nfs/dbraw/zinc/90/63/50/675906350.db2.gz NIOYLVNVOYFXOE-HGTKMLMNSA-N 2 2 350.488 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cscn4)C[C@@H]3C2)O1 ZINC001048891296 675906351 /nfs/dbraw/zinc/90/63/51/675906351.db2.gz NIOYLVNVOYFXOE-HGTKMLMNSA-N 2 2 350.488 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cscn4)C[C@@H]3C2)O1 ZINC001048891296 675906353 /nfs/dbraw/zinc/90/63/53/675906353.db2.gz NIOYLVNVOYFXOE-HGTKMLMNSA-N 2 2 350.488 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cscn4)C[C@@H]3C2)O1 ZINC001048891296 675906354 /nfs/dbraw/zinc/90/63/54/675906354.db2.gz NIOYLVNVOYFXOE-HGTKMLMNSA-N 2 2 350.488 0.752 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000852867698 671528360 /nfs/dbraw/zinc/52/83/60/671528360.db2.gz ZHLABZQOALWDEZ-ZDUSSCGKSA-N 2 2 371.425 0.154 20 0 FCADLP Cc1cn2c(nc(C[N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cc2=O)s1 ZINC000903458987 675931122 /nfs/dbraw/zinc/93/11/22/675931122.db2.gz PABFJPXXVNVYPA-CQSZACIVSA-N 2 2 359.459 0.952 20 0 FCADLP Cc1cn2c(nc(C[N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cc2=O)s1 ZINC000903458987 675931125 /nfs/dbraw/zinc/93/11/25/675931125.db2.gz PABFJPXXVNVYPA-CQSZACIVSA-N 2 2 359.459 0.952 20 0 FCADLP CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608906 675961965 /nfs/dbraw/zinc/96/19/65/675961965.db2.gz STHUXHLFXRJQAB-OWSLCNJRSA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001049608906 675961967 /nfs/dbraw/zinc/96/19/67/675961967.db2.gz STHUXHLFXRJQAB-OWSLCNJRSA-N 2 2 351.491 0.951 20 0 FCADLP CS(=O)(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C(F)(F)F ZINC000903769224 675970867 /nfs/dbraw/zinc/97/08/67/675970867.db2.gz ZVLSSSCYYXGGRW-UMSGYPCISA-N 2 2 356.410 0.662 20 0 FCADLP CS(=O)(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1C(F)(F)F ZINC000903769224 675970868 /nfs/dbraw/zinc/97/08/68/675970868.db2.gz ZVLSSSCYYXGGRW-UMSGYPCISA-N 2 2 356.410 0.662 20 0 FCADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000863753511 672150149 /nfs/dbraw/zinc/15/01/49/672150149.db2.gz WMMAPLRHEZQGSI-AWEZNQCLSA-N 2 2 350.438 0.666 20 0 FCADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000863753511 672150150 /nfs/dbraw/zinc/15/01/50/672150150.db2.gz WMMAPLRHEZQGSI-AWEZNQCLSA-N 2 2 350.438 0.666 20 0 FCADLP C[C@H](NC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1)[C@H](C)[NH+]1CCOCC1 ZINC000864790072 672210693 /nfs/dbraw/zinc/21/06/93/672210693.db2.gz XOCYCUHVYWDZNB-RZLSGREXSA-N 2 2 350.467 0.560 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052993106 675990293 /nfs/dbraw/zinc/99/02/93/675990293.db2.gz YUSWUUBDWMDNOK-BGTYHANMSA-N 2 2 351.491 0.543 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052993106 675990296 /nfs/dbraw/zinc/99/02/96/675990296.db2.gz YUSWUUBDWMDNOK-BGTYHANMSA-N 2 2 351.491 0.543 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000868701087 672407731 /nfs/dbraw/zinc/40/77/31/672407731.db2.gz KWLSAIANLBYCOY-UHFFFAOYSA-N 2 2 350.467 0.016 20 0 FCADLP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870065098 672465621 /nfs/dbraw/zinc/46/56/21/672465621.db2.gz KAWMLJKWSYGWOS-ROUUACIJSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870065098 672465622 /nfs/dbraw/zinc/46/56/22/672465622.db2.gz KAWMLJKWSYGWOS-ROUUACIJSA-N 2 2 351.491 0.953 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000875559303 672892989 /nfs/dbraw/zinc/89/29/89/672892989.db2.gz RVLNCGSQPYEWQC-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000875559303 672892994 /nfs/dbraw/zinc/89/29/94/672892994.db2.gz RVLNCGSQPYEWQC-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000875559303 672892998 /nfs/dbraw/zinc/89/29/98/672892998.db2.gz RVLNCGSQPYEWQC-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000875559303 672892999 /nfs/dbraw/zinc/89/29/99/672892999.db2.gz RVLNCGSQPYEWQC-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876717752 672974365 /nfs/dbraw/zinc/97/43/65/672974365.db2.gz GXWQOTPVVPJXIK-APWZRJJASA-N 2 2 350.507 0.921 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876717752 672974367 /nfs/dbraw/zinc/97/43/67/672974367.db2.gz GXWQOTPVVPJXIK-APWZRJJASA-N 2 2 350.507 0.921 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292832 673053278 /nfs/dbraw/zinc/05/32/78/673053278.db2.gz RJQLZQLGLSQRKN-IRXDYDNUSA-N 2 2 351.491 0.986 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292832 673053282 /nfs/dbraw/zinc/05/32/82/673053282.db2.gz RJQLZQLGLSQRKN-IRXDYDNUSA-N 2 2 351.491 0.986 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)o1 ZINC001051625283 676107121 /nfs/dbraw/zinc/10/71/21/676107121.db2.gz YLGQDMOJJDXYNN-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)o1 ZINC001051625283 676107123 /nfs/dbraw/zinc/10/71/23/676107123.db2.gz YLGQDMOJJDXYNN-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CNS(=O)(=O)c1ccc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000880265915 673184736 /nfs/dbraw/zinc/18/47/36/673184736.db2.gz CKEVTVDDLOAPET-UHFFFAOYSA-N 2 2 363.487 0.693 20 0 FCADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000881844623 673249877 /nfs/dbraw/zinc/24/98/77/673249877.db2.gz ZKGQZQXCYXQFNN-JKSUJKDBSA-N 2 2 365.499 0.816 20 0 FCADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000881844623 673249881 /nfs/dbraw/zinc/24/98/81/673249881.db2.gz ZKGQZQXCYXQFNN-JKSUJKDBSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000881844623 673249882 /nfs/dbraw/zinc/24/98/82/673249882.db2.gz ZKGQZQXCYXQFNN-JKSUJKDBSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000881844623 673249885 /nfs/dbraw/zinc/24/98/85/673249885.db2.gz ZKGQZQXCYXQFNN-JKSUJKDBSA-N 2 2 365.499 0.816 20 0 FCADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCS(=O)(=O)CC1 ZINC000883370474 673372156 /nfs/dbraw/zinc/37/21/56/673372156.db2.gz MEFJPCNSRRQVGS-WMZOPIPTSA-N 2 2 373.563 0.586 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CN1CC1CC1 ZINC000883394372 673373244 /nfs/dbraw/zinc/37/32/44/673373244.db2.gz YYFSNAHNMCEWDP-GOSISDBHSA-N 2 2 350.507 0.384 20 0 FCADLP COCC[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000884203485 673437204 /nfs/dbraw/zinc/43/72/04/673437204.db2.gz XMQMDQGWGINTBZ-INIZCTEOSA-N 2 2 351.447 0.378 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000884684750 673472431 /nfs/dbraw/zinc/47/24/31/673472431.db2.gz OLUHVOFASFTMMJ-XJKSGUPXSA-N 2 2 350.438 0.884 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884977040 673495659 /nfs/dbraw/zinc/49/56/59/673495659.db2.gz HTIBDGXQFFJZFS-OCCSQVGLSA-N 2 2 363.487 0.199 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428977 673584222 /nfs/dbraw/zinc/58/42/22/673584222.db2.gz PLNPRPBKUSAONV-YJBOKZPZSA-N 2 2 357.495 0.793 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428977 673584224 /nfs/dbraw/zinc/58/42/24/673584224.db2.gz PLNPRPBKUSAONV-YJBOKZPZSA-N 2 2 357.495 0.793 20 0 FCADLP CC(C)(CNC(=O)C[NH2+]CC1(C2(O)CCC2)CCC1)[NH+]1CCOCC1 ZINC000886972701 673611680 /nfs/dbraw/zinc/61/16/80/673611680.db2.gz PBGWMCIQXMXGHZ-UHFFFAOYSA-N 2 2 353.507 0.888 20 0 FCADLP CO[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887303499 673626969 /nfs/dbraw/zinc/62/69/69/673626969.db2.gz VSIQPRLKWJKZEY-SMDDNHRTSA-N 2 2 351.369 0.719 20 0 FCADLP CO[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887303499 673626970 /nfs/dbraw/zinc/62/69/70/673626970.db2.gz VSIQPRLKWJKZEY-SMDDNHRTSA-N 2 2 351.369 0.719 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000925485575 673793025 /nfs/dbraw/zinc/79/30/25/673793025.db2.gz NPZJEZLDLUGNSA-HOTGVXAUSA-N 2 2 367.519 0.264 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000925590779 673794992 /nfs/dbraw/zinc/79/49/92/673794992.db2.gz UJJPIVYHMXRMHF-MRXNPFEDSA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000925590779 673794995 /nfs/dbraw/zinc/79/49/95/673794995.db2.gz UJJPIVYHMXRMHF-MRXNPFEDSA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000925597226 673795740 /nfs/dbraw/zinc/79/57/40/673795740.db2.gz LUEQOEGLSRRCQI-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000925597226 673795743 /nfs/dbraw/zinc/79/57/43/673795743.db2.gz LUEQOEGLSRRCQI-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000925600641 673796079 /nfs/dbraw/zinc/79/60/79/673796079.db2.gz HQXTWMVUBXKQKR-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000929189492 673942579 /nfs/dbraw/zinc/94/25/79/673942579.db2.gz QFOQSGKELIZGHX-UONOGXRCSA-N 2 2 350.488 0.822 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000929189492 673942580 /nfs/dbraw/zinc/94/25/80/673942580.db2.gz QFOQSGKELIZGHX-UONOGXRCSA-N 2 2 350.488 0.822 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000930335927 674013770 /nfs/dbraw/zinc/01/37/70/674013770.db2.gz CVSMQYPFLABHDG-GJZGRUSLSA-N 2 2 352.866 0.879 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000930335927 674013772 /nfs/dbraw/zinc/01/37/72/674013772.db2.gz CVSMQYPFLABHDG-GJZGRUSLSA-N 2 2 352.866 0.879 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969072054 675268516 /nfs/dbraw/zinc/26/85/16/675268516.db2.gz UUWBSUUTOHJHBW-RBSFLKMASA-N 2 2 350.467 0.098 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969072054 675268520 /nfs/dbraw/zinc/26/85/20/675268520.db2.gz UUWBSUUTOHJHBW-RBSFLKMASA-N 2 2 350.467 0.098 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000969072105 675268527 /nfs/dbraw/zinc/26/85/27/675268527.db2.gz XEFJJBTZWQZITD-MGPQQGTHSA-N 2 2 350.467 0.338 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000969072105 675268530 /nfs/dbraw/zinc/26/85/30/675268530.db2.gz XEFJJBTZWQZITD-MGPQQGTHSA-N 2 2 350.467 0.338 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020256751 675438911 /nfs/dbraw/zinc/43/89/11/675438911.db2.gz AUWATTSJVSFGII-KJWHEZOQSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020256751 675438912 /nfs/dbraw/zinc/43/89/12/675438912.db2.gz AUWATTSJVSFGII-KJWHEZOQSA-N 2 2 366.487 0.575 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287887 675439724 /nfs/dbraw/zinc/43/97/24/675439724.db2.gz PZAZBAQITHDHFS-NMFUWQPSSA-N 2 2 350.467 0.062 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287887 675439726 /nfs/dbraw/zinc/43/97/26/675439726.db2.gz PZAZBAQITHDHFS-NMFUWQPSSA-N 2 2 350.467 0.062 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287662 675439815 /nfs/dbraw/zinc/43/98/15/675439815.db2.gz FYQSZFBEOBGURR-AAVRWANBSA-N 2 2 351.451 0.478 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001020287662 675439817 /nfs/dbraw/zinc/43/98/17/675439817.db2.gz FYQSZFBEOBGURR-AAVRWANBSA-N 2 2 351.451 0.478 20 0 FCADLP C[NH+](C)CCn1nccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000900334132 675674532 /nfs/dbraw/zinc/67/45/32/675674532.db2.gz GRNOAOYRMUYGLS-QGZVFWFLSA-N 2 2 367.519 0.382 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000900602267 675698834 /nfs/dbraw/zinc/69/88/34/675698834.db2.gz PLYVXVIHMHFWCL-QZTJIDSGSA-N 2 2 352.523 0.460 20 0 FCADLP COCCO[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800849446 675708835 /nfs/dbraw/zinc/70/88/35/675708835.db2.gz ARABNCCSIMLJDX-AWEZNQCLSA-N 2 2 354.451 0.088 20 0 FCADLP COCCO[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800849446 675708837 /nfs/dbraw/zinc/70/88/37/675708837.db2.gz ARABNCCSIMLJDX-AWEZNQCLSA-N 2 2 354.451 0.088 20 0 FCADLP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900805742 675718303 /nfs/dbraw/zinc/71/83/03/675718303.db2.gz QERVLAMKDXAPRT-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CN(C)CC[N@H+]1C ZINC000900805742 675718306 /nfs/dbraw/zinc/71/83/06/675718306.db2.gz QERVLAMKDXAPRT-DLBZAZTESA-N 2 2 352.523 0.772 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC001020405131 1167780211 /nfs/dbraw/zinc/78/02/11/1167780211.db2.gz BKJWSQMFFRBIET-JJXSEGSLSA-N 2 2 370.457 0.834 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2O)c(C)[nH+]1 ZINC000969601923 1168023665 /nfs/dbraw/zinc/02/36/65/1168023665.db2.gz WKHDSHTVNCBWJF-OAGGEKHMSA-N 2 2 360.458 0.260 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2O)c(C)[nH+]1 ZINC000969601923 1168023670 /nfs/dbraw/zinc/02/36/70/1168023670.db2.gz WKHDSHTVNCBWJF-OAGGEKHMSA-N 2 2 360.458 0.260 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020603795 1168148607 /nfs/dbraw/zinc/14/86/07/1168148607.db2.gz MTLGVXOHGQEPTI-AAVRWANBSA-N 2 2 371.445 0.082 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001020604053 1168149434 /nfs/dbraw/zinc/14/94/34/1168149434.db2.gz UZLAXDDLCROYCS-AAVRWANBSA-N 2 2 355.446 0.956 20 0 FCADLP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081152613 1168339827 /nfs/dbraw/zinc/33/98/27/1168339827.db2.gz CTTASHZCKYWOQM-QGZVFWFLSA-N 2 2 362.449 0.856 20 0 FCADLP NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081152613 1168339834 /nfs/dbraw/zinc/33/98/34/1168339834.db2.gz CTTASHZCKYWOQM-QGZVFWFLSA-N 2 2 362.449 0.856 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489067 1169468087 /nfs/dbraw/zinc/46/80/87/1169468087.db2.gz NOBGAVGNBVJKGX-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489067 1169468094 /nfs/dbraw/zinc/46/80/94/1169468094.db2.gz NOBGAVGNBVJKGX-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[NH+]1CCN(c2nc3ccccc3nc2-n2cnc(C[NH3+])cc2=N)CC1 ZINC001167351299 1169587304 /nfs/dbraw/zinc/58/73/04/1169587304.db2.gz MKLIPBKHRBNTBV-UHFFFAOYSA-N 2 2 350.430 0.505 20 0 FCADLP Cc1nccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141872 1170009973 /nfs/dbraw/zinc/00/99/73/1170009973.db2.gz YTQJAUXVWRVSIR-UWWQBHOKSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1nccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141872 1170009981 /nfs/dbraw/zinc/00/99/81/1170009981.db2.gz YTQJAUXVWRVSIR-UWWQBHOKSA-N 2 2 361.490 0.832 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001104345655 1170127428 /nfs/dbraw/zinc/12/74/28/1170127428.db2.gz MXARMZNTYGYRKW-RBSFLKMASA-N 2 2 362.474 0.841 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC000988725850 1192408340 /nfs/dbraw/zinc/40/83/40/1192408340.db2.gz PGDIZZDCPOFXTF-UNEWFSDZSA-N 2 2 370.457 0.756 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988727004 1192413884 /nfs/dbraw/zinc/41/38/84/1192413884.db2.gz YSRDZLNAJSQQCY-PMPSAXMXSA-N 2 2 371.485 0.647 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001022036711 1170452383 /nfs/dbraw/zinc/45/23/83/1170452383.db2.gz QZTSBZPQAPJJJO-JKSUJKDBSA-N 2 2 357.458 0.571 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022037760 1170460646 /nfs/dbraw/zinc/46/06/46/1170460646.db2.gz CUAPCOZBCCBOHV-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022037760 1170460647 /nfs/dbraw/zinc/46/06/47/1170460647.db2.gz CUAPCOZBCCBOHV-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104364087 1170491774 /nfs/dbraw/zinc/49/17/74/1170491774.db2.gz WLHDPWWWHAYRJJ-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001022094813 1170619166 /nfs/dbraw/zinc/61/91/66/1170619166.db2.gz ITWPRMFRYRFUCF-UUAJXVIYSA-N 2 2 371.485 0.621 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022095601 1170622034 /nfs/dbraw/zinc/62/20/34/1170622034.db2.gz UXCASMYAZDDVPW-WCXIOVBPSA-N 2 2 371.485 0.623 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022094427 1170622782 /nfs/dbraw/zinc/62/27/82/1170622782.db2.gz BUMCMIFGTWHHHF-UUAJXVIYSA-N 2 2 371.485 0.669 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104367602 1170661004 /nfs/dbraw/zinc/66/10/04/1170661004.db2.gz ZTTMNXCVFVBIRO-OAGGEKHMSA-N 2 2 361.490 0.608 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)C1 ZINC001022210538 1170747324 /nfs/dbraw/zinc/74/73/24/1170747324.db2.gz CYAKIYHGZVXPNE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)C1 ZINC001022210538 1170747338 /nfs/dbraw/zinc/74/73/38/1170747338.db2.gz CYAKIYHGZVXPNE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)C1 ZINC001022210538 1170747356 /nfs/dbraw/zinc/74/73/56/1170747356.db2.gz CYAKIYHGZVXPNE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)C1 ZINC001022210538 1170747370 /nfs/dbraw/zinc/74/73/70/1170747370.db2.gz CYAKIYHGZVXPNE-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022211778 1170755959 /nfs/dbraw/zinc/75/59/59/1170755959.db2.gz VSDZXEGYYLWRHH-HRCADAONSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022211778 1170755967 /nfs/dbraw/zinc/75/59/67/1170755967.db2.gz VSDZXEGYYLWRHH-HRCADAONSA-N 2 2 359.474 0.743 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001022212984 1170759662 /nfs/dbraw/zinc/75/96/62/1170759662.db2.gz VXJLULJZZDLSDK-YXJHDRRASA-N 2 2 359.474 0.362 20 0 FCADLP CC(C)Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276113 1170824122 /nfs/dbraw/zinc/82/41/22/1170824122.db2.gz ABEJXPVJNYRIGQ-APIJFGDWSA-N 2 2 365.478 0.724 20 0 FCADLP CC(C)Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022276113 1170824127 /nfs/dbraw/zinc/82/41/27/1170824127.db2.gz ABEJXPVJNYRIGQ-APIJFGDWSA-N 2 2 365.478 0.724 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276452 1170824335 /nfs/dbraw/zinc/82/43/35/1170824335.db2.gz KFIIVJIMGCTVLK-LVQVYYBASA-N 2 2 364.494 0.390 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276452 1170824336 /nfs/dbraw/zinc/82/43/36/1170824336.db2.gz KFIIVJIMGCTVLK-LVQVYYBASA-N 2 2 364.494 0.390 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001083224912 1170841250 /nfs/dbraw/zinc/84/12/50/1170841250.db2.gz WQAYVHRJJVQQSF-FGTMMUONSA-N 2 2 367.490 0.189 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001083224912 1170841251 /nfs/dbraw/zinc/84/12/51/1170841251.db2.gz WQAYVHRJJVQQSF-FGTMMUONSA-N 2 2 367.490 0.189 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001022313355 1170848664 /nfs/dbraw/zinc/84/86/64/1170848664.db2.gz PDJSSAVTBIULCE-GOEBONIOSA-N 2 2 357.458 0.416 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691238323 1170877278 /nfs/dbraw/zinc/87/72/78/1170877278.db2.gz WKCPJJBVSAFUAO-UONOGXRCSA-N 2 2 364.471 0.867 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)Nc1cnccn1 ZINC001691253204 1170891102 /nfs/dbraw/zinc/89/11/02/1170891102.db2.gz BJXOUWOOEUEJPT-QWHCGFSZSA-N 2 2 357.418 0.255 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1)c1nnnn1C ZINC001087196494 1171519147 /nfs/dbraw/zinc/51/91/47/1171519147.db2.gz SOENOMZPIYKJIM-KFWWJZLASA-N 2 2 360.466 0.775 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083238834 1171626178 /nfs/dbraw/zinc/62/61/78/1171626178.db2.gz DMUFESOFSZNZSZ-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083238834 1171626191 /nfs/dbraw/zinc/62/61/91/1171626191.db2.gz DMUFESOFSZNZSZ-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000988780916 1192476312 /nfs/dbraw/zinc/47/63/12/1192476312.db2.gz RHSYCQLTECZVOY-DZUCGIPZSA-N 2 2 373.501 0.971 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892187219 1171712412 /nfs/dbraw/zinc/71/24/12/1171712412.db2.gz JTFNATMKXADCBI-BRWVUGGUSA-N 2 2 358.490 0.734 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000972243216 1171879734 /nfs/dbraw/zinc/87/97/34/1171879734.db2.gz RRWMAZDICVHDKY-BZUAXINKSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000972243216 1171879736 /nfs/dbraw/zinc/87/97/36/1171879736.db2.gz RRWMAZDICVHDKY-BZUAXINKSA-N 2 2 359.474 0.364 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CCC1 ZINC001083248490 1172008237 /nfs/dbraw/zinc/00/82/37/1172008237.db2.gz JRFNUXOEAWJGJN-OKZBNKHCSA-N 2 2 362.474 0.689 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1)C1CCC1 ZINC001083248490 1172008240 /nfs/dbraw/zinc/00/82/40/1172008240.db2.gz JRFNUXOEAWJGJN-OKZBNKHCSA-N 2 2 362.474 0.689 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]21 ZINC001083248559 1172008644 /nfs/dbraw/zinc/00/86/44/1172008644.db2.gz MUHCBBSFWYEVJP-OKZBNKHCSA-N 2 2 362.474 0.833 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249778 1172029811 /nfs/dbraw/zinc/02/98/11/1172029811.db2.gz WCLSZYIGWBRZFC-DLBZAZTESA-N 2 2 357.458 0.292 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249778 1172029821 /nfs/dbraw/zinc/02/98/21/1172029821.db2.gz WCLSZYIGWBRZFC-DLBZAZTESA-N 2 2 357.458 0.292 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022843394 1172050270 /nfs/dbraw/zinc/05/02/70/1172050270.db2.gz JKLHYJWCHMKXQK-USXIJHARSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022843394 1172050278 /nfs/dbraw/zinc/05/02/78/1172050278.db2.gz JKLHYJWCHMKXQK-USXIJHARSA-N 2 2 359.474 0.886 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1 ZINC000988989109 1192616118 /nfs/dbraw/zinc/61/61/18/1192616118.db2.gz OUTBFIXGRKSXKI-PMPSAXMXSA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1 ZINC000988989109 1192616124 /nfs/dbraw/zinc/61/61/24/1192616124.db2.gz OUTBFIXGRKSXKI-PMPSAXMXSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000988989923 1192616402 /nfs/dbraw/zinc/61/64/02/1192616402.db2.gz WVUWIAFTFNWCDA-FPCVCCKLSA-N 2 2 370.457 0.834 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000989050261 1192654788 /nfs/dbraw/zinc/65/47/88/1192654788.db2.gz UXKINDBFPNEXMO-PMPSAXMXSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000989050261 1192654794 /nfs/dbraw/zinc/65/47/94/1192654794.db2.gz UXKINDBFPNEXMO-PMPSAXMXSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000989061816 1192666847 /nfs/dbraw/zinc/66/68/47/1192666847.db2.gz RCSRDMPVUPRPIB-INMHGKMJSA-N 2 2 371.485 0.647 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001272166143 1192682138 /nfs/dbraw/zinc/68/21/38/1192682138.db2.gz BBQYUWBKXIRUPB-ULQDDVLXSA-N 2 2 357.458 0.638 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088621257 1192682234 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/nfs/dbraw/zinc/69/17/64/1179691764.db2.gz LVNQGLZGFDDJRY-RBSFLKMASA-N 2 2 360.462 0.367 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023427539 1179691783 /nfs/dbraw/zinc/69/17/83/1179691783.db2.gz LVNQGLZGFDDJRY-RBSFLKMASA-N 2 2 360.462 0.367 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023427539 1179691800 /nfs/dbraw/zinc/69/18/00/1179691800.db2.gz LVNQGLZGFDDJRY-RBSFLKMASA-N 2 2 360.462 0.367 20 0 FCADLP Cc1ncc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450150 1179750250 /nfs/dbraw/zinc/75/02/50/1179750250.db2.gz FKHPBJSZKQABPA-UWWQBHOKSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450150 1179750259 /nfs/dbraw/zinc/75/02/59/1179750259.db2.gz FKHPBJSZKQABPA-UWWQBHOKSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450150 1179750272 /nfs/dbraw/zinc/75/02/72/1179750272.db2.gz FKHPBJSZKQABPA-UWWQBHOKSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023450150 1179750287 /nfs/dbraw/zinc/75/02/87/1179750287.db2.gz FKHPBJSZKQABPA-UWWQBHOKSA-N 2 2 361.490 0.832 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972587747 1179855861 /nfs/dbraw/zinc/85/58/61/1179855861.db2.gz KOYIZPQDJZEUIO-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972587747 1179855867 /nfs/dbraw/zinc/85/58/67/1179855867.db2.gz KOYIZPQDJZEUIO-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083262129 1179890131 /nfs/dbraw/zinc/89/01/31/1179890131.db2.gz DPFDUZRKMDTZBS-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083262129 1179890134 /nfs/dbraw/zinc/89/01/34/1179890134.db2.gz DPFDUZRKMDTZBS-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972606745 1179966817 /nfs/dbraw/zinc/96/68/17/1179966817.db2.gz BFKRAWJYNXNJLE-NVXWUHKLSA-N 2 2 359.474 0.888 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1 ZINC000972724001 1180645611 /nfs/dbraw/zinc/64/56/11/1180645611.db2.gz GMJYILHGRKCXJH-BFYDXBDKSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1 ZINC000972724001 1180645641 /nfs/dbraw/zinc/64/56/41/1180645641.db2.gz GMJYILHGRKCXJH-BFYDXBDKSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC000972724001 1180645678 /nfs/dbraw/zinc/64/56/78/1180645678.db2.gz GMJYILHGRKCXJH-BFYDXBDKSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC000972724001 1180645697 /nfs/dbraw/zinc/64/56/97/1180645697.db2.gz GMJYILHGRKCXJH-BFYDXBDKSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001024134715 1180862805 /nfs/dbraw/zinc/86/28/05/1180862805.db2.gz GFXQYNRBEIJJPT-HZPDHXFCSA-N 2 2 371.441 0.016 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001024165538 1180934004 /nfs/dbraw/zinc/93/40/04/1180934004.db2.gz QWQLKRVDWCZOIH-NUEKZKHPSA-N 2 2 357.462 0.681 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492772 1181241262 /nfs/dbraw/zinc/24/12/62/1181241262.db2.gz JEMCZSRVXZGFGJ-HZPDHXFCSA-N 2 2 368.397 0.070 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024505374 1181258702 /nfs/dbraw/zinc/25/87/02/1181258702.db2.gz BCQOYOFPDXLIHN-FHLIZLRMSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024505374 1181258709 /nfs/dbraw/zinc/25/87/09/1181258709.db2.gz BCQOYOFPDXLIHN-FHLIZLRMSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001024507555 1181263337 /nfs/dbraw/zinc/26/33/37/1181263337.db2.gz WMNZPAGENHAMEN-BPQIPLTHSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001024507555 1181263343 /nfs/dbraw/zinc/26/33/43/1181263343.db2.gz WMNZPAGENHAMEN-BPQIPLTHSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024507555 1181263349 /nfs/dbraw/zinc/26/33/49/1181263349.db2.gz WMNZPAGENHAMEN-BPQIPLTHSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001024507555 1181263355 /nfs/dbraw/zinc/26/33/55/1181263355.db2.gz WMNZPAGENHAMEN-BPQIPLTHSA-N 2 2 361.490 0.975 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1)C1CCC1 ZINC001024622980 1181406374 /nfs/dbraw/zinc/40/63/74/1181406374.db2.gz FTHBQHZPZKJFRS-GDBMZVCRSA-N 2 2 371.441 0.120 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1)C1CCC1 ZINC001024622980 1181406381 /nfs/dbraw/zinc/40/63/81/1181406381.db2.gz FTHBQHZPZKJFRS-GDBMZVCRSA-N 2 2 371.441 0.120 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734528 1181577627 /nfs/dbraw/zinc/57/76/27/1181577627.db2.gz XDVYGPFSSMKIRV-ZWKOTPCHSA-N 2 2 369.469 0.992 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083273786 1181737039 /nfs/dbraw/zinc/73/70/39/1181737039.db2.gz IDAYKCDIOHOUTG-JCGIZDLHSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083273786 1181737047 /nfs/dbraw/zinc/73/70/47/1181737047.db2.gz IDAYKCDIOHOUTG-JCGIZDLHSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083273786 1181737056 /nfs/dbraw/zinc/73/70/56/1181737056.db2.gz IDAYKCDIOHOUTG-JCGIZDLHSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083273786 1181737064 /nfs/dbraw/zinc/73/70/64/1181737064.db2.gz IDAYKCDIOHOUTG-JCGIZDLHSA-N 2 2 362.474 0.909 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994439 1181864413 /nfs/dbraw/zinc/86/44/13/1181864413.db2.gz KNUFYFWPFIIAJP-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994439 1181864416 /nfs/dbraw/zinc/86/44/16/1181864416.db2.gz KNUFYFWPFIIAJP-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000973000642 1181876299 /nfs/dbraw/zinc/87/62/99/1181876299.db2.gz VXXYODVNNFRSCZ-RHSMWYFYSA-N 2 2 364.409 0.904 20 0 FCADLP Cc1cc(N)nc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)[nH+]1 ZINC000892626422 1181955222 /nfs/dbraw/zinc/95/52/22/1181955222.db2.gz XBAGEROGBXSGRF-UHFFFAOYSA-N 2 2 356.434 0.320 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104619600 1182286316 /nfs/dbraw/zinc/28/63/16/1182286316.db2.gz GXNKCLUUOBUMPQ-UNEWFSDZSA-N 2 2 367.469 0.891 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104619600 1182286322 /nfs/dbraw/zinc/28/63/22/1182286322.db2.gz GXNKCLUUOBUMPQ-UNEWFSDZSA-N 2 2 367.469 0.891 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083280703 1182351704 /nfs/dbraw/zinc/35/17/04/1182351704.db2.gz CIQIDYVNAIVGRN-RCCFBDPRSA-N 2 2 367.490 0.188 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083280703 1182351707 /nfs/dbraw/zinc/35/17/07/1182351707.db2.gz CIQIDYVNAIVGRN-RCCFBDPRSA-N 2 2 367.490 0.188 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083280703 1182351710 /nfs/dbraw/zinc/35/17/10/1182351710.db2.gz CIQIDYVNAIVGRN-RCCFBDPRSA-N 2 2 367.490 0.188 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]32)C1 ZINC001083280703 1182351712 /nfs/dbraw/zinc/35/17/12/1182351712.db2.gz CIQIDYVNAIVGRN-RCCFBDPRSA-N 2 2 367.490 0.188 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104699353 1182379605 /nfs/dbraw/zinc/37/96/05/1182379605.db2.gz OSACVSAZQOWHPZ-MUIFIZLQSA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000973550417 1182380888 /nfs/dbraw/zinc/38/08/88/1182380888.db2.gz KTFZDYLTEXOUPJ-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001112020753 1182384891 /nfs/dbraw/zinc/38/48/91/1182384891.db2.gz YVRJESUZJVFPMY-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001112020753 1182384896 /nfs/dbraw/zinc/38/48/96/1182384896.db2.gz YVRJESUZJVFPMY-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]Cc1nnnn1C1CC1 ZINC001104729655 1182401580 /nfs/dbraw/zinc/40/15/80/1182401580.db2.gz YOUYBVHPHNEANB-CHWSQXEVSA-N 2 2 358.450 0.548 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001025818273 1182859417 /nfs/dbraw/zinc/85/94/17/1182859417.db2.gz NCQFAMYOBHAPNX-GKJLGGESSA-N 2 2 359.474 0.612 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001025818273 1182859419 /nfs/dbraw/zinc/85/94/19/1182859419.db2.gz NCQFAMYOBHAPNX-GKJLGGESSA-N 2 2 359.474 0.612 20 0 FCADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001025818273 1182859424 /nfs/dbraw/zinc/85/94/24/1182859424.db2.gz NCQFAMYOBHAPNX-GKJLGGESSA-N 2 2 359.474 0.612 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026054584 1182876381 /nfs/dbraw/zinc/87/63/81/1182876381.db2.gz IIJWFEZDPQRTRK-QKEJGYSESA-N 2 2 357.458 0.191 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001026054584 1182876382 /nfs/dbraw/zinc/87/63/82/1182876382.db2.gz IIJWFEZDPQRTRK-QKEJGYSESA-N 2 2 357.458 0.191 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)C[C@@H]21 ZINC001083290695 1182902550 /nfs/dbraw/zinc/90/25/50/1182902550.db2.gz PUVLPAIWUZIQGX-OKZBNKHCSA-N 2 2 362.474 0.736 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)C[C@@H]21 ZINC001083290695 1182902562 /nfs/dbraw/zinc/90/25/62/1182902562.db2.gz PUVLPAIWUZIQGX-OKZBNKHCSA-N 2 2 362.474 0.736 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000893238512 1182965743 /nfs/dbraw/zinc/96/57/43/1182965743.db2.gz MXYJSKKWOCCJTE-SFHVURJKSA-N 2 2 368.570 0.149 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000893238512 1182965756 /nfs/dbraw/zinc/96/57/56/1182965756.db2.gz MXYJSKKWOCCJTE-SFHVURJKSA-N 2 2 368.570 0.149 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001104954758 1183018936 /nfs/dbraw/zinc/01/89/36/1183018936.db2.gz RFZPQKLELHQYEX-UKRRQHHQSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001104954915 1183019018 /nfs/dbraw/zinc/01/90/18/1183019018.db2.gz ZJZHBPIJYGDNGW-MRVWCRGKSA-N 2 2 360.466 0.620 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]Cc1nncn1C ZINC001104966911 1183025713 /nfs/dbraw/zinc/02/57/13/1183025713.db2.gz KJHFHXSKIBEQMJ-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nonc3C)C2)C1 ZINC001105040489 1183088601 /nfs/dbraw/zinc/08/86/01/1183088601.db2.gz JBYTVIVPZJZCLT-FRFSOERESA-N 2 2 365.478 0.673 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nonc3C)C2)C1 ZINC001105040489 1183088608 /nfs/dbraw/zinc/08/86/08/1183088608.db2.gz JBYTVIVPZJZCLT-FRFSOERESA-N 2 2 365.478 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000974289759 1183093060 /nfs/dbraw/zinc/09/30/60/1183093060.db2.gz BXXRFVXJTSCMTD-JKJDWNRSSA-N 2 2 359.474 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000974289759 1183093070 /nfs/dbraw/zinc/09/30/70/1183093070.db2.gz BXXRFVXJTSCMTD-JKJDWNRSSA-N 2 2 359.474 0.771 20 0 FCADLP COCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101827 1183122332 /nfs/dbraw/zinc/12/23/32/1183122332.db2.gz ILZNNBIKZJJBNQ-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CCN1C(=O)CCC1=O ZINC001105104728 1183123362 /nfs/dbraw/zinc/12/33/62/1183123362.db2.gz DIPXMSLUTWWFEQ-HUUCEWRRSA-N 2 2 361.446 0.106 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CN1CC[NH+]1CCOCC1 ZINC000893354317 1183204733 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/nfs/dbraw/zinc/36/37/23/1183363723.db2.gz LXAAKQQFEYUTSF-NVXWUHKLSA-N 2 2 371.485 0.650 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000974634053 1183397236 /nfs/dbraw/zinc/39/72/36/1183397236.db2.gz MDCURUHJZLZBJB-RHSMWYFYSA-N 2 2 364.409 0.973 20 0 FCADLP CCCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916499 1183490545 /nfs/dbraw/zinc/49/05/45/1183490545.db2.gz INFWLGPUVMKNCD-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1nc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916499 1183490546 /nfs/dbraw/zinc/49/05/46/1183490546.db2.gz INFWLGPUVMKNCD-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP COc1cncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001027073716 1183717551 /nfs/dbraw/zinc/71/75/51/1183717551.db2.gz JPFBVOWRFCPXGJ-FVQBIDKESA-N 2 2 370.457 0.961 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027074643 1183718527 /nfs/dbraw/zinc/71/85/27/1183718527.db2.gz DBVFHDXBMIBEJH-RRFJBIMHSA-N 2 2 357.462 0.773 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027074642 1183719405 /nfs/dbraw/zinc/71/94/05/1183719405.db2.gz DBVFHDXBMIBEJH-RBSFLKMASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC000975228797 1183790767 /nfs/dbraw/zinc/79/07/67/1183790767.db2.gz YVXFLSPZXUKAHG-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC000975228797 1183790777 /nfs/dbraw/zinc/79/07/77/1183790777.db2.gz YVXFLSPZXUKAHG-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC000975428079 1183867844 /nfs/dbraw/zinc/86/78/44/1183867844.db2.gz WDNNOAIMUJZPBO-NVXWUHKLSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975683171 1184037469 /nfs/dbraw/zinc/03/74/69/1184037469.db2.gz GUFJOCBMGFFZJU-HOTGVXAUSA-N 2 2 370.457 0.997 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000975724821 1185619430 /nfs/dbraw/zinc/61/94/30/1185619430.db2.gz QGWSNGIBFQWSFA-ULQDDVLXSA-N 2 2 371.485 0.743 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC000975718825 1185637873 /nfs/dbraw/zinc/63/78/73/1185637873.db2.gz NGGHPKMHHGZNND-UXLLHSPISA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC000975718825 1185637878 /nfs/dbraw/zinc/63/78/78/1185637878.db2.gz NGGHPKMHHGZNND-UXLLHSPISA-N 2 2 359.474 0.662 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)C1 ZINC000975719542 1185643946 /nfs/dbraw/zinc/64/39/46/1185643946.db2.gz UMNSSGIOCYTMCK-JYJNAYRXSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@H]3C2)C1 ZINC000975719542 1185643955 /nfs/dbraw/zinc/64/39/55/1185643955.db2.gz UMNSSGIOCYTMCK-JYJNAYRXSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000975785484 1185786932 /nfs/dbraw/zinc/78/69/32/1185786932.db2.gz MIBORCJHIULBST-ULQDDVLXSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000975785484 1185786944 /nfs/dbraw/zinc/78/69/44/1185786944.db2.gz MIBORCJHIULBST-ULQDDVLXSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975810738 1185814674 /nfs/dbraw/zinc/81/46/74/1185814674.db2.gz IGRRSWCRCBCSCX-HOTGVXAUSA-N 2 2 370.457 0.997 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000975838146 1185823281 /nfs/dbraw/zinc/82/32/81/1185823281.db2.gz NYCRWSIZRUCHQJ-RDJZCZTQSA-N 2 2 371.485 0.806 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424241 1185984980 /nfs/dbraw/zinc/98/49/80/1185984980.db2.gz PLBRXDGERPLOJN-QRVBRYPASA-N 2 2 361.486 0.674 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424241 1185984984 /nfs/dbraw/zinc/98/49/84/1185984984.db2.gz PLBRXDGERPLOJN-QRVBRYPASA-N 2 2 361.486 0.674 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424241 1185984994 /nfs/dbraw/zinc/98/49/94/1185984994.db2.gz PLBRXDGERPLOJN-QRVBRYPASA-N 2 2 361.486 0.674 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)CC[C@@H]2c2ccccc2)C1 ZINC001087424241 1185985001 /nfs/dbraw/zinc/98/50/01/1185985001.db2.gz PLBRXDGERPLOJN-QRVBRYPASA-N 2 2 361.486 0.674 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000978746921 1186003851 /nfs/dbraw/zinc/00/38/51/1186003851.db2.gz PHTVBJKSJYGSQR-HHARLNAUSA-N 2 2 354.458 0.751 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC000978746921 1186003857 /nfs/dbraw/zinc/00/38/57/1186003857.db2.gz PHTVBJKSJYGSQR-HHARLNAUSA-N 2 2 354.458 0.751 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000980576558 1186231262 /nfs/dbraw/zinc/23/12/62/1186231262.db2.gz UPROWYIZTWVFRZ-KLHDSHLOSA-N 2 2 371.485 0.630 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532243 1186256133 /nfs/dbraw/zinc/25/61/33/1186256133.db2.gz PFLWNTKEXKRYPH-ROYATCLZSA-N 2 2 373.501 0.830 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432184 1186270524 /nfs/dbraw/zinc/27/05/24/1186270524.db2.gz ASJJCRCRJYINEC-QZTJIDSGSA-N 2 2 369.469 0.912 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001087432184 1186270529 /nfs/dbraw/zinc/27/05/29/1186270529.db2.gz ASJJCRCRJYINEC-QZTJIDSGSA-N 2 2 369.469 0.912 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cnn(C)n2)C3)CC[N@@H+]1C ZINC000981779226 1186522985 /nfs/dbraw/zinc/52/29/85/1186522985.db2.gz YOKVUPQTEKMQDC-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cnn(C)n2)C3)CC[N@H+]1C ZINC000981779226 1186522990 /nfs/dbraw/zinc/52/29/90/1186522990.db2.gz YOKVUPQTEKMQDC-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2cnn(C)n2)C3)CC[NH+]1C ZINC000981779226 1186522994 /nfs/dbraw/zinc/52/29/94/1186522994.db2.gz YOKVUPQTEKMQDC-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2cnn(C)n2)C3)CC[NH+]1C ZINC000981779226 1186522998 /nfs/dbraw/zinc/52/29/98/1186522998.db2.gz YOKVUPQTEKMQDC-DLBZAZTESA-N 2 2 360.506 0.970 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441941 1187512636 /nfs/dbraw/zinc/51/26/36/1187512636.db2.gz IEPVLLUQGJRKFC-QZTJIDSGSA-N 2 2 370.497 0.803 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441941 1187512638 /nfs/dbraw/zinc/51/26/38/1187512638.db2.gz IEPVLLUQGJRKFC-QZTJIDSGSA-N 2 2 370.497 0.803 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1)C(=O)N(C)C ZINC001211733653 1187534450 /nfs/dbraw/zinc/53/44/50/1187534450.db2.gz BQILSAHYTHSUAG-BPQIPLTHSA-N 2 2 369.469 0.944 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643539 1187564874 /nfs/dbraw/zinc/56/48/74/1187564874.db2.gz BHXBEHDKYVPISV-BMGDILEWSA-N 2 2 371.441 0.586 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643539 1187564879 /nfs/dbraw/zinc/56/48/79/1187564879.db2.gz BHXBEHDKYVPISV-BMGDILEWSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643539 1187564881 /nfs/dbraw/zinc/56/48/81/1187564881.db2.gz BHXBEHDKYVPISV-BMGDILEWSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001075643539 1187564885 /nfs/dbraw/zinc/56/48/85/1187564885.db2.gz BHXBEHDKYVPISV-BMGDILEWSA-N 2 2 371.441 0.586 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001028550218 1187602394 /nfs/dbraw/zinc/60/23/94/1187602394.db2.gz LATGZCUTMKHDHX-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001028550218 1187602396 /nfs/dbraw/zinc/60/23/96/1187602396.db2.gz LATGZCUTMKHDHX-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001028550218 1187602398 /nfs/dbraw/zinc/60/23/98/1187602398.db2.gz LATGZCUTMKHDHX-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001028550218 1187602400 /nfs/dbraw/zinc/60/24/00/1187602400.db2.gz LATGZCUTMKHDHX-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001028551029 1187602483 /nfs/dbraw/zinc/60/24/83/1187602483.db2.gz XUCCPRNGXSJZLW-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001028551029 1187602485 /nfs/dbraw/zinc/60/24/85/1187602485.db2.gz XUCCPRNGXSJZLW-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001028551029 1187602487 /nfs/dbraw/zinc/60/24/87/1187602487.db2.gz XUCCPRNGXSJZLW-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001028551029 1187602489 /nfs/dbraw/zinc/60/24/89/1187602489.db2.gz XUCCPRNGXSJZLW-QLFBSQMISA-N 2 2 363.462 0.700 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001028552076 1187604432 /nfs/dbraw/zinc/60/44/32/1187604432.db2.gz FVGLVANAIVUVAE-SOUVJXGZSA-N 2 2 363.462 0.782 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001028552076 1187604437 /nfs/dbraw/zinc/60/44/37/1187604437.db2.gz FVGLVANAIVUVAE-SOUVJXGZSA-N 2 2 363.462 0.782 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001028552076 1187604442 /nfs/dbraw/zinc/60/44/42/1187604442.db2.gz FVGLVANAIVUVAE-SOUVJXGZSA-N 2 2 363.462 0.782 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001028552076 1187604445 /nfs/dbraw/zinc/60/44/45/1187604445.db2.gz FVGLVANAIVUVAE-SOUVJXGZSA-N 2 2 363.462 0.782 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368584 1187690166 /nfs/dbraw/zinc/69/01/66/1187690166.db2.gz QSBVPDKSPQZXFP-QYZOEREBSA-N 2 2 354.454 0.990 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368584 1187690167 /nfs/dbraw/zinc/69/01/67/1187690167.db2.gz QSBVPDKSPQZXFP-QYZOEREBSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368584 1187690169 /nfs/dbraw/zinc/69/01/69/1187690169.db2.gz QSBVPDKSPQZXFP-QYZOEREBSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083368584 1187690170 /nfs/dbraw/zinc/69/01/70/1187690170.db2.gz QSBVPDKSPQZXFP-QYZOEREBSA-N 2 2 354.454 0.990 20 0 FCADLP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083372621 1187693677 /nfs/dbraw/zinc/69/36/77/1187693677.db2.gz YMXXNUFGJYOBHR-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083372621 1187693679 /nfs/dbraw/zinc/69/36/79/1187693679.db2.gz YMXXNUFGJYOBHR-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083372621 1187693682 /nfs/dbraw/zinc/69/36/82/1187693682.db2.gz YMXXNUFGJYOBHR-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP COc1cccc(OCC[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083372621 1187693686 /nfs/dbraw/zinc/69/36/86/1187693686.db2.gz YMXXNUFGJYOBHR-SQNIBIBYSA-N 2 2 363.458 0.330 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373239 1187694260 /nfs/dbraw/zinc/69/42/60/1187694260.db2.gz XDFQCZNOWIJLPZ-SQNIBIBYSA-N 2 2 359.470 0.420 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373239 1187694265 /nfs/dbraw/zinc/69/42/65/1187694265.db2.gz XDFQCZNOWIJLPZ-SQNIBIBYSA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373239 1187694267 /nfs/dbraw/zinc/69/42/67/1187694267.db2.gz XDFQCZNOWIJLPZ-SQNIBIBYSA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001083373239 1187694272 /nfs/dbraw/zinc/69/42/72/1187694272.db2.gz XDFQCZNOWIJLPZ-SQNIBIBYSA-N 2 2 359.470 0.420 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373030 1187694431 /nfs/dbraw/zinc/69/44/31/1187694431.db2.gz OXLDQJNEIPNCFG-QRVBRYPASA-N 2 2 359.470 0.515 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373030 1187694438 /nfs/dbraw/zinc/69/44/38/1187694438.db2.gz OXLDQJNEIPNCFG-QRVBRYPASA-N 2 2 359.470 0.515 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373030 1187694444 /nfs/dbraw/zinc/69/44/44/1187694444.db2.gz OXLDQJNEIPNCFG-QRVBRYPASA-N 2 2 359.470 0.515 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373030 1187694450 /nfs/dbraw/zinc/69/44/50/1187694450.db2.gz OXLDQJNEIPNCFG-QRVBRYPASA-N 2 2 359.470 0.515 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385475 1187713029 /nfs/dbraw/zinc/71/30/29/1187713029.db2.gz OVPXJSQCFKYGPD-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385475 1187713034 /nfs/dbraw/zinc/71/30/34/1187713034.db2.gz OVPXJSQCFKYGPD-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385475 1187713036 /nfs/dbraw/zinc/71/30/36/1187713036.db2.gz OVPXJSQCFKYGPD-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]2O)C1 ZINC001083385475 1187713039 /nfs/dbraw/zinc/71/30/39/1187713039.db2.gz OVPXJSQCFKYGPD-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629357 1187759282 /nfs/dbraw/zinc/75/92/82/1187759282.db2.gz KDDILDLKQBTFGY-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629357 1187759284 /nfs/dbraw/zinc/75/92/84/1187759284.db2.gz KDDILDLKQBTFGY-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629357 1187759287 /nfs/dbraw/zinc/75/92/87/1187759287.db2.gz KDDILDLKQBTFGY-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629357 1187759290 /nfs/dbraw/zinc/75/92/90/1187759290.db2.gz KDDILDLKQBTFGY-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983319585 1187903908 /nfs/dbraw/zinc/90/39/08/1187903908.db2.gz BILXSGBHOQNOCR-ARFHVFGLSA-N 2 2 371.485 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001028810002 1187907081 /nfs/dbraw/zinc/90/70/81/1187907081.db2.gz SUMUDQITMBWWGO-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001028810002 1187907085 /nfs/dbraw/zinc/90/70/85/1187907085.db2.gz SUMUDQITMBWWGO-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028812278 1187910446 /nfs/dbraw/zinc/91/04/46/1187910446.db2.gz YFRUDGBXCSTURY-USXIJHARSA-N 2 2 356.474 0.938 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001028812278 1187910449 /nfs/dbraw/zinc/91/04/49/1187910449.db2.gz YFRUDGBXCSTURY-USXIJHARSA-N 2 2 356.474 0.938 20 0 FCADLP C[C@H](C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1)n1cc[nH+]c1 ZINC001270292490 1188082656 /nfs/dbraw/zinc/08/26/56/1188082656.db2.gz QSIRMPACTAHPFP-CRAIPNDOSA-N 2 2 363.462 0.083 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001270333780 1188098189 /nfs/dbraw/zinc/09/81/89/1188098189.db2.gz WBLHSSWCWOTMNQ-BEFAXECRSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2C(=O)[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001270333780 1188098192 /nfs/dbraw/zinc/09/81/92/1188098192.db2.gz WBLHSSWCWOTMNQ-BEFAXECRSA-N 2 2 359.474 0.855 20 0 FCADLP C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334012 1188099165 /nfs/dbraw/zinc/09/91/65/1188099165.db2.gz WHQYBLLREGQYLB-VQIMIIECSA-N 2 2 359.474 0.676 20 0 FCADLP C[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)C1 ZINC001270334012 1188099171 /nfs/dbraw/zinc/09/91/71/1188099171.db2.gz WHQYBLLREGQYLB-VQIMIIECSA-N 2 2 359.474 0.676 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469621 1188212234 /nfs/dbraw/zinc/21/22/34/1188212234.db2.gz NKIIFECLXXHARI-DJIMGWMZSA-N 2 2 362.449 0.537 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469621 1188212236 /nfs/dbraw/zinc/21/22/36/1188212236.db2.gz NKIIFECLXXHARI-DJIMGWMZSA-N 2 2 362.449 0.537 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469621 1188212238 /nfs/dbraw/zinc/21/22/38/1188212238.db2.gz NKIIFECLXXHARI-DJIMGWMZSA-N 2 2 362.449 0.537 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469621 1188212240 /nfs/dbraw/zinc/21/22/40/1188212240.db2.gz NKIIFECLXXHARI-DJIMGWMZSA-N 2 2 362.449 0.537 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)([NH+]2CCOCC2)C1 ZINC000894463952 1188220307 /nfs/dbraw/zinc/22/03/07/1188220307.db2.gz BMCDSGJYGNJQAU-WPZCVXBKSA-N 2 2 366.506 0.602 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)([NH+]2CCOCC2)C1 ZINC000894463952 1188220310 /nfs/dbraw/zinc/22/03/10/1188220310.db2.gz BMCDSGJYGNJQAU-WPZCVXBKSA-N 2 2 366.506 0.602 20 0 FCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262048757 1188237697 /nfs/dbraw/zinc/23/76/97/1188237697.db2.gz ZIYXFHULXUIMKZ-AWEZNQCLSA-N 2 2 356.426 0.179 20 0 FCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262048757 1188237702 /nfs/dbraw/zinc/23/77/02/1188237702.db2.gz ZIYXFHULXUIMKZ-AWEZNQCLSA-N 2 2 356.426 0.179 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCn2cncn2)CCCC1 ZINC001270792351 1188303462 /nfs/dbraw/zinc/30/34/62/1188303462.db2.gz XGNCFTCVVPYTIN-HUUCEWRRSA-N 2 2 357.462 0.834 20 0 FCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983890710 1188379506 /nfs/dbraw/zinc/37/95/06/1188379506.db2.gz LPUHZXBEXRZUJJ-CVEARBPZSA-N 2 2 359.474 0.722 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075798579 1188422362 /nfs/dbraw/zinc/42/23/62/1188422362.db2.gz GVNUCBCHMRBSMZ-RYQLBKOJSA-N 2 2 358.490 0.673 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075798579 1188422365 /nfs/dbraw/zinc/42/23/65/1188422365.db2.gz GVNUCBCHMRBSMZ-RYQLBKOJSA-N 2 2 358.490 0.673 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(OC)n1 ZINC001087529748 1189384512 /nfs/dbraw/zinc/38/45/12/1189384512.db2.gz SBXKYAPVENRAAZ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(OC)n1 ZINC001087529748 1189384517 /nfs/dbraw/zinc/38/45/17/1189384517.db2.gz SBXKYAPVENRAAZ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(OC)n1 ZINC001087529748 1189384519 /nfs/dbraw/zinc/38/45/19/1189384519.db2.gz SBXKYAPVENRAAZ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(OC)n1 ZINC001087529748 1189384524 /nfs/dbraw/zinc/38/45/24/1189384524.db2.gz SBXKYAPVENRAAZ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CC(=O)N(C)C ZINC001087580981 1189623120 /nfs/dbraw/zinc/62/31/20/1189623120.db2.gz JDKJSZDINAKUFP-JKSUJKDBSA-N 2 2 361.490 0.819 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1CC(=O)N(C)C ZINC001087580981 1189623139 /nfs/dbraw/zinc/62/31/39/1189623139.db2.gz JDKJSZDINAKUFP-JKSUJKDBSA-N 2 2 361.490 0.819 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087625317 1189673979 /nfs/dbraw/zinc/67/39/79/1189673979.db2.gz BTUMCPYFFKHFGS-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087625317 1189673990 /nfs/dbraw/zinc/67/39/90/1189673990.db2.gz BTUMCPYFFKHFGS-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087625317 1189673994 /nfs/dbraw/zinc/67/39/94/1189673994.db2.gz BTUMCPYFFKHFGS-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087625317 1189674010 /nfs/dbraw/zinc/67/40/10/1189674010.db2.gz BTUMCPYFFKHFGS-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1CC(=O)NC ZINC001087653206 1189707561 /nfs/dbraw/zinc/70/75/61/1189707561.db2.gz JUFCPKMYYMHQKV-GOEBONIOSA-N 2 2 356.430 0.596 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1CC(=O)NC ZINC001087653206 1189707569 /nfs/dbraw/zinc/70/75/69/1189707569.db2.gz JUFCPKMYYMHQKV-GOEBONIOSA-N 2 2 356.430 0.596 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1ccnn1C ZINC001087700819 1189783682 /nfs/dbraw/zinc/78/36/82/1189783682.db2.gz ZSMTWLOHUDEJJG-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1ccnn1C ZINC001087700819 1189783696 /nfs/dbraw/zinc/78/36/96/1189783696.db2.gz ZSMTWLOHUDEJJG-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1ccnn1C ZINC001087700819 1189783707 /nfs/dbraw/zinc/78/37/07/1189783707.db2.gz ZSMTWLOHUDEJJG-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1ccnn1C ZINC001087700819 1189783719 /nfs/dbraw/zinc/78/37/19/1189783719.db2.gz ZSMTWLOHUDEJJG-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2CC3(CCOCC3)[C@H](O)C2=O)C1 ZINC000840017118 1189812668 /nfs/dbraw/zinc/81/26/68/1189812668.db2.gz GDKXSDWAZADXCW-DLBZAZTESA-N 2 2 369.506 0.377 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2CC3(CCOCC3)[C@H](O)C2=O)C1 ZINC000840017118 1189812672 /nfs/dbraw/zinc/81/26/72/1189812672.db2.gz GDKXSDWAZADXCW-DLBZAZTESA-N 2 2 369.506 0.377 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001271144043 1189815255 /nfs/dbraw/zinc/81/52/55/1189815255.db2.gz RNYDEQZDBHZUDC-APWZRJJASA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001271144043 1189815256 /nfs/dbraw/zinc/81/52/56/1189815256.db2.gz RNYDEQZDBHZUDC-APWZRJJASA-N 2 2 359.474 0.855 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271144299 1189816211 /nfs/dbraw/zinc/81/62/11/1189816211.db2.gz ZNBMQSDLUUNQKY-VQIMIIECSA-N 2 2 359.474 0.961 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271144299 1189816214 /nfs/dbraw/zinc/81/62/14/1189816214.db2.gz ZNBMQSDLUUNQKY-VQIMIIECSA-N 2 2 359.474 0.961 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001087797477 1189828273 /nfs/dbraw/zinc/82/82/73/1189828273.db2.gz QRCJGIHKICTUBG-IXDOHACOSA-N 2 2 360.462 0.189 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001087797477 1189828274 /nfs/dbraw/zinc/82/82/74/1189828274.db2.gz QRCJGIHKICTUBG-IXDOHACOSA-N 2 2 360.462 0.189 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001087828305 1189841032 /nfs/dbraw/zinc/84/10/32/1189841032.db2.gz HIZJUQSTGOJSKP-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001087828305 1189841034 /nfs/dbraw/zinc/84/10/34/1189841034.db2.gz HIZJUQSTGOJSKP-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000895686312 1189874387 /nfs/dbraw/zinc/87/43/87/1189874387.db2.gz RCILHPLYWGNBJI-IBGZPJMESA-N 2 2 368.566 0.608 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920312 1189905468 /nfs/dbraw/zinc/90/54/68/1189905468.db2.gz KRYIVJMLTUAZBV-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920312 1189905473 /nfs/dbraw/zinc/90/54/73/1189905473.db2.gz KRYIVJMLTUAZBV-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920312 1189905476 /nfs/dbraw/zinc/90/54/76/1189905476.db2.gz KRYIVJMLTUAZBV-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)c(C)o1 ZINC001087920312 1189905481 /nfs/dbraw/zinc/90/54/81/1189905481.db2.gz KRYIVJMLTUAZBV-SOLBZPMBSA-N 2 2 362.474 0.902 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950416 1189979917 /nfs/dbraw/zinc/97/99/17/1189979917.db2.gz RGTUGHNHZLUVQI-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001087950416 1189979922 /nfs/dbraw/zinc/97/99/22/1189979922.db2.gz RGTUGHNHZLUVQI-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)[nH]1 ZINC001087967816 1190024745 /nfs/dbraw/zinc/02/47/45/1190024745.db2.gz MXAOSWJHLJVBHZ-IXDOHACOSA-N 2 2 358.490 0.735 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)[nH]1 ZINC001087967816 1190024750 /nfs/dbraw/zinc/02/47/50/1190024750.db2.gz MXAOSWJHLJVBHZ-IXDOHACOSA-N 2 2 358.490 0.735 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984697898 1190075292 /nfs/dbraw/zinc/07/52/92/1190075292.db2.gz XMUXKVIKPHYXFM-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984697898 1190075296 /nfs/dbraw/zinc/07/52/96/1190075296.db2.gz XMUXKVIKPHYXFM-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896563295 1190093611 /nfs/dbraw/zinc/09/36/11/1190093611.db2.gz JWMYYJNVTYOICT-PWIZWCRZSA-N 2 2 374.529 0.935 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896563295 1190093614 /nfs/dbraw/zinc/09/36/14/1190093614.db2.gz JWMYYJNVTYOICT-PWIZWCRZSA-N 2 2 374.529 0.935 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001029480103 1190101602 /nfs/dbraw/zinc/10/16/02/1190101602.db2.gz JPEDJMBMVNOCOI-KHMAMNHCSA-N 2 2 371.441 0.004 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001029480103 1190101605 /nfs/dbraw/zinc/10/16/05/1190101605.db2.gz JPEDJMBMVNOCOI-KHMAMNHCSA-N 2 2 371.441 0.004 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989016 1190134095 /nfs/dbraw/zinc/13/40/95/1190134095.db2.gz LJWYRSCUUWPHGL-VYDXJSESSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989016 1190134097 /nfs/dbraw/zinc/13/40/97/1190134097.db2.gz LJWYRSCUUWPHGL-VYDXJSESSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989016 1190134104 /nfs/dbraw/zinc/13/41/04/1190134104.db2.gz LJWYRSCUUWPHGL-VYDXJSESSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989016 1190134108 /nfs/dbraw/zinc/13/41/08/1190134108.db2.gz LJWYRSCUUWPHGL-VYDXJSESSA-N 2 2 369.473 0.902 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993341 1190143883 /nfs/dbraw/zinc/14/38/83/1190143883.db2.gz LBDALQBLVZXXAL-RYRKJORJSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993341 1190143888 /nfs/dbraw/zinc/14/38/88/1190143888.db2.gz LBDALQBLVZXXAL-RYRKJORJSA-N 2 2 360.506 0.919 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999739 1190170273 /nfs/dbraw/zinc/17/02/73/1190170273.db2.gz XZMMRVDFXLMZJZ-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999739 1190170274 /nfs/dbraw/zinc/17/02/74/1190170274.db2.gz XZMMRVDFXLMZJZ-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999739 1190170277 /nfs/dbraw/zinc/17/02/77/1190170277.db2.gz XZMMRVDFXLMZJZ-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999739 1190170279 /nfs/dbraw/zinc/17/02/79/1190170279.db2.gz XZMMRVDFXLMZJZ-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999569 1190170566 /nfs/dbraw/zinc/17/05/66/1190170566.db2.gz RNQLELNOROIDQR-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999569 1190170568 /nfs/dbraw/zinc/17/05/68/1190170568.db2.gz RNQLELNOROIDQR-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999569 1190170570 /nfs/dbraw/zinc/17/05/70/1190170570.db2.gz RNQLELNOROIDQR-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999569 1190170572 /nfs/dbraw/zinc/17/05/72/1190170572.db2.gz RNQLELNOROIDQR-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1)[NH+](C)C ZINC001088010762 1190209118 /nfs/dbraw/zinc/20/91/18/1190209118.db2.gz JGJMRMHQBVXITM-QLFBSQMISA-N 2 2 364.494 0.756 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1)[NH+](C)C ZINC001088010762 1190209125 /nfs/dbraw/zinc/20/91/25/1190209125.db2.gz JGJMRMHQBVXITM-QLFBSQMISA-N 2 2 364.494 0.756 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)no1 ZINC001088021417 1190240090 /nfs/dbraw/zinc/24/00/90/1190240090.db2.gz KTVNGXOICOBBPR-WWGRRREGSA-N 2 2 361.446 0.019 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)no1 ZINC001088021417 1190240095 /nfs/dbraw/zinc/24/00/95/1190240095.db2.gz KTVNGXOICOBBPR-WWGRRREGSA-N 2 2 361.446 0.019 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000984903269 1190244855 /nfs/dbraw/zinc/24/48/55/1190244855.db2.gz MZJLADASAPEOOP-GOEBONIOSA-N 2 2 358.446 0.961 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)Cn1cc[nH+]c1C ZINC000984904610 1190249923 /nfs/dbraw/zinc/24/99/23/1190249923.db2.gz BTBDITJHTZYQSE-JKSUJKDBSA-N 2 2 358.446 0.892 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)cc1=O ZINC001088058935 1190325194 /nfs/dbraw/zinc/32/51/94/1190325194.db2.gz AGJAICGDWABGSS-MSOLQXFVSA-N 2 2 369.469 0.952 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)cc1=O ZINC001088058935 1190325200 /nfs/dbraw/zinc/32/52/00/1190325200.db2.gz AGJAICGDWABGSS-MSOLQXFVSA-N 2 2 369.469 0.952 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105205 1190592829 /nfs/dbraw/zinc/59/28/29/1190592829.db2.gz YERZKIWRJTYYMH-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105205 1190592832 /nfs/dbraw/zinc/59/28/32/1190592832.db2.gz YERZKIWRJTYYMH-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105205 1190592835 /nfs/dbraw/zinc/59/28/35/1190592835.db2.gz YERZKIWRJTYYMH-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105205 1190592840 /nfs/dbraw/zinc/59/28/40/1190592840.db2.gz YERZKIWRJTYYMH-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121369 1190616683 /nfs/dbraw/zinc/61/66/83/1190616683.db2.gz CCZFVFWIIOXQFQ-OAGGEKHMSA-N 2 2 359.474 0.649 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121369 1190616689 /nfs/dbraw/zinc/61/66/89/1190616689.db2.gz CCZFVFWIIOXQFQ-OAGGEKHMSA-N 2 2 359.474 0.649 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130503 1190632590 /nfs/dbraw/zinc/63/25/90/1190632590.db2.gz QOIPCFUIHUXWET-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130503 1190632599 /nfs/dbraw/zinc/63/25/99/1190632599.db2.gz QOIPCFUIHUXWET-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989511 1190668163 /nfs/dbraw/zinc/66/81/63/1190668163.db2.gz UJSKPCDIPLDSQI-LJQANCHMSA-N 3 2 364.534 0.724 20 0 FCADLP CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989511 1190668164 /nfs/dbraw/zinc/66/81/64/1190668164.db2.gz UJSKPCDIPLDSQI-LJQANCHMSA-N 3 2 364.534 0.724 20 0 FCADLP [NH3+]CCOc1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000841009387 1190714112 /nfs/dbraw/zinc/71/41/12/1190714112.db2.gz BRXRWKUGVHZGSW-UHFFFAOYSA-N 2 2 369.425 0.706 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001088317195 1190725856 /nfs/dbraw/zinc/72/58/56/1190725856.db2.gz VITCZGBSOSAJAS-HRCADAONSA-N 2 2 363.510 0.801 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3nnn(C)n3)C2)CC[N@H+]1C ZINC001088317195 1190725860 /nfs/dbraw/zinc/72/58/60/1190725860.db2.gz VITCZGBSOSAJAS-HRCADAONSA-N 2 2 363.510 0.801 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985664554 1190759336 /nfs/dbraw/zinc/75/93/36/1190759336.db2.gz HMYPCVRARXORNT-OAGGEKHMSA-N 2 2 359.474 0.677 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985664554 1190759343 /nfs/dbraw/zinc/75/93/43/1190759343.db2.gz HMYPCVRARXORNT-OAGGEKHMSA-N 2 2 359.474 0.677 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985664551 1190759869 /nfs/dbraw/zinc/75/98/69/1190759869.db2.gz HMYPCVRARXORNT-BZUAXINKSA-N 2 2 359.474 0.677 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985664551 1190759875 /nfs/dbraw/zinc/75/98/75/1190759875.db2.gz HMYPCVRARXORNT-BZUAXINKSA-N 2 2 359.474 0.677 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4ncccn4)C3)C2)CC1 ZINC001276756146 1224108315 /nfs/dbraw/zinc/10/83/15/1224108315.db2.gz IYVRURAZSJQSDX-IBGZPJMESA-N 2 2 359.474 0.622 20 0 FCADLP C[NH+]1CCC([N@H+]2CCOC[C@@]3(CC(=O)N(Cc4ncccn4)C3)C2)CC1 ZINC001276756146 1224108316 /nfs/dbraw/zinc/10/83/16/1224108316.db2.gz IYVRURAZSJQSDX-IBGZPJMESA-N 2 2 359.474 0.622 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986019816 1190867836 /nfs/dbraw/zinc/86/78/36/1190867836.db2.gz IEHGUUHSKVBRBH-WCXIOVBPSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@H]3C2)CC[N@H+]1C ZINC000986019816 1190867838 /nfs/dbraw/zinc/86/78/38/1190867838.db2.gz IEHGUUHSKVBRBH-WCXIOVBPSA-N 2 2 373.501 0.989 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000986132794 1190903083 /nfs/dbraw/zinc/90/30/83/1190903083.db2.gz CQVPUUOLTABDEJ-CVEARBPZSA-N 2 2 370.457 0.475 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1)[NH+](C)C ZINC000986321334 1190955188 /nfs/dbraw/zinc/95/51/88/1190955188.db2.gz NSLQRYAMNLDIPO-HLLBOEOZSA-N 2 2 361.490 0.610 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2[C@H]3CC[C@@H]2CN(C(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001272022223 1190959241 /nfs/dbraw/zinc/95/92/41/1190959241.db2.gz PDWFRHKGTJLXHU-JLVBRIDZSA-N 2 2 359.474 0.578 20 0 FCADLP Cn1cnnc1C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276758111 1224119649 /nfs/dbraw/zinc/11/96/49/1224119649.db2.gz UVWOADDXIJWTOM-KRWDZBQOSA-N 2 2 357.418 0.053 20 0 FCADLP Cn1cnnc1C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276758111 1224119652 /nfs/dbraw/zinc/11/96/52/1224119652.db2.gz UVWOADDXIJWTOM-KRWDZBQOSA-N 2 2 357.418 0.053 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986438373 1190994984 /nfs/dbraw/zinc/99/49/84/1190994984.db2.gz VTODCXILCDOIMW-IKGGRYGDSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986438373 1190994986 /nfs/dbraw/zinc/99/49/86/1190994986.db2.gz VTODCXILCDOIMW-IKGGRYGDSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001088493351 1191008052 /nfs/dbraw/zinc/00/80/52/1191008052.db2.gz IIZJYMQSBQNPHY-QLFBSQMISA-N 2 2 363.510 0.644 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001088493351 1191008053 /nfs/dbraw/zinc/00/80/53/1191008053.db2.gz IIZJYMQSBQNPHY-QLFBSQMISA-N 2 2 363.510 0.644 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCc1nnn(C(C)(C)C)n1 ZINC001088493351 1191008057 /nfs/dbraw/zinc/00/80/57/1191008057.db2.gz IIZJYMQSBQNPHY-QLFBSQMISA-N 2 2 363.510 0.644 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088505694 1191061882 /nfs/dbraw/zinc/06/18/82/1191061882.db2.gz REBURMNCEVSEBV-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088505694 1191061886 /nfs/dbraw/zinc/06/18/86/1191061886.db2.gz REBURMNCEVSEBV-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001088505694 1191061888 /nfs/dbraw/zinc/06/18/88/1191061888.db2.gz REBURMNCEVSEBV-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001088505694 1191061893 /nfs/dbraw/zinc/06/18/93/1191061893.db2.gz REBURMNCEVSEBV-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)NC1CC1 ZINC001075883085 1191064673 /nfs/dbraw/zinc/06/46/73/1191064673.db2.gz TWLTWTJBXAIMSE-CWRNSKLLSA-N 2 2 357.458 0.572 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)NC1CC1 ZINC001075883085 1191064676 /nfs/dbraw/zinc/06/46/76/1191064676.db2.gz TWLTWTJBXAIMSE-CWRNSKLLSA-N 2 2 357.458 0.572 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000986679612 1191078773 /nfs/dbraw/zinc/07/87/73/1191078773.db2.gz FSHIGBIOACXGTC-OAGGEKHMSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000986679612 1191078775 /nfs/dbraw/zinc/07/87/75/1191078775.db2.gz FSHIGBIOACXGTC-OAGGEKHMSA-N 2 2 359.474 0.743 20 0 FCADLP COCCCN1CCC2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001276761271 1224126093 /nfs/dbraw/zinc/12/60/93/1224126093.db2.gz CQVOMHBSCGFXHG-UHFFFAOYSA-N 2 2 366.506 0.111 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)C1CC1 ZINC000986764185 1191094761 /nfs/dbraw/zinc/09/47/61/1191094761.db2.gz FCANKCDMSLAFJV-VKJFTORMSA-N 2 2 359.474 0.599 20 0 FCADLP CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276762432 1224128402 /nfs/dbraw/zinc/12/84/02/1224128402.db2.gz LEQQMSVDMOQCKX-BEFAXECRSA-N 2 2 364.490 0.400 20 0 FCADLP CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276762433 1224128591 /nfs/dbraw/zinc/12/85/91/1224128591.db2.gz LEQQMSVDMOQCKX-DNVCBOLYSA-N 2 2 364.490 0.400 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000729604982 1191119594 /nfs/dbraw/zinc/11/95/94/1191119594.db2.gz DNBMSYWWFKZGDK-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000729604982 1191119595 /nfs/dbraw/zinc/11/95/95/1191119595.db2.gz DNBMSYWWFKZGDK-QGZVFWFLSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000988110042 1191150251 /nfs/dbraw/zinc/15/02/51/1191150251.db2.gz READTPMACDNFQU-OWCLPIDISA-N 2 2 359.474 0.962 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217933103 1224132559 /nfs/dbraw/zinc/13/25/59/1224132559.db2.gz RHDOSCPDEKDYKX-WCXIOVBPSA-N 2 2 366.506 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217933103 1224132562 /nfs/dbraw/zinc/13/25/62/1224132562.db2.gz RHDOSCPDEKDYKX-WCXIOVBPSA-N 2 2 366.506 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933103 1224132565 /nfs/dbraw/zinc/13/25/65/1224132565.db2.gz RHDOSCPDEKDYKX-WCXIOVBPSA-N 2 2 366.506 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933103 1224132567 /nfs/dbraw/zinc/13/25/67/1224132567.db2.gz RHDOSCPDEKDYKX-WCXIOVBPSA-N 2 2 366.506 0.105 20 0 FCADLP CNC(=O)C(C)(C)[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276773412 1224143938 /nfs/dbraw/zinc/14/39/38/1224143938.db2.gz LUBDJTQAPUDOAH-GOSISDBHSA-N 2 2 361.446 0.249 20 0 FCADLP CNC(=O)C(C)(C)[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276773412 1224143939 /nfs/dbraw/zinc/14/39/39/1224143939.db2.gz LUBDJTQAPUDOAH-GOSISDBHSA-N 2 2 361.446 0.249 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1)C1CC1 ZINC001218396586 1224158152 /nfs/dbraw/zinc/15/81/52/1224158152.db2.gz PZLHBSQTBXBXAO-RCCFBDPRSA-N 2 2 362.474 1.000 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1)C1CC1 ZINC001218396586 1224158155 /nfs/dbraw/zinc/15/81/55/1224158155.db2.gz PZLHBSQTBXBXAO-RCCFBDPRSA-N 2 2 362.474 1.000 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001276786277 1224162308 /nfs/dbraw/zinc/16/23/08/1224162308.db2.gz GUVMJPVPWGGCMR-UHFFFAOYSA-N 2 2 359.474 0.774 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000550644235 1193721444 /nfs/dbraw/zinc/72/14/44/1193721444.db2.gz CAZQQFAVCALJTJ-HZPDHXFCSA-N 2 2 369.473 0.737 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000550644235 1193721448 /nfs/dbraw/zinc/72/14/48/1193721448.db2.gz CAZQQFAVCALJTJ-HZPDHXFCSA-N 2 2 369.473 0.737 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550668265 1193731167 /nfs/dbraw/zinc/73/11/67/1193731167.db2.gz MSJBPYMOGXDQMQ-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550668265 1193731171 /nfs/dbraw/zinc/73/11/71/1193731171.db2.gz MSJBPYMOGXDQMQ-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000551036251 1193828755 /nfs/dbraw/zinc/82/87/55/1193828755.db2.gz UCDMWJVDCMKFLL-NVXWUHKLSA-N 2 2 357.458 0.677 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550695 1224171607 /nfs/dbraw/zinc/17/16/07/1224171607.db2.gz KAJOWNTVKBEGRC-BHYGNILZSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550695 1224171612 /nfs/dbraw/zinc/17/16/12/1224171612.db2.gz KAJOWNTVKBEGRC-BHYGNILZSA-N 2 2 359.474 0.791 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105622872 1193841551 /nfs/dbraw/zinc/84/15/51/1193841551.db2.gz JLAGWYMGAVOTDY-RGCFKVTRSA-N 2 2 364.490 0.955 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550722 1224171685 /nfs/dbraw/zinc/17/16/85/1224171685.db2.gz LEIRWKUQYGZTAL-HRCADAONSA-N 2 2 366.506 0.284 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550722 1224171688 /nfs/dbraw/zinc/17/16/88/1224171688.db2.gz LEIRWKUQYGZTAL-HRCADAONSA-N 2 2 366.506 0.284 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551279868 1193847880 /nfs/dbraw/zinc/84/78/80/1193847880.db2.gz KJFXODJVPYGXCR-CQSZACIVSA-N 2 2 359.474 0.778 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000551279868 1193847883 /nfs/dbraw/zinc/84/78/83/1193847883.db2.gz KJFXODJVPYGXCR-CQSZACIVSA-N 2 2 359.474 0.778 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105646017 1193853193 /nfs/dbraw/zinc/85/31/93/1193853193.db2.gz GWONLVBXJAGPOG-FPAYPSAMSA-N 2 2 364.490 0.886 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557861 1224173093 /nfs/dbraw/zinc/17/30/93/1224173093.db2.gz MEGMJSYOKSBBOU-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557861 1224173097 /nfs/dbraw/zinc/17/30/97/1224173097.db2.gz MEGMJSYOKSBBOU-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000551852624 1193873783 /nfs/dbraw/zinc/87/37/83/1193873783.db2.gz HLMAZWTWWBXNBW-UHFFFAOYSA-N 2 2 363.462 0.103 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088737346 1193875807 /nfs/dbraw/zinc/87/58/07/1193875807.db2.gz OMQJTXGGCIWYQB-CJNGLKHVSA-N 2 2 368.441 0.739 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088737346 1193875808 /nfs/dbraw/zinc/87/58/08/1193875808.db2.gz OMQJTXGGCIWYQB-CJNGLKHVSA-N 2 2 368.441 0.739 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756961 1193890732 /nfs/dbraw/zinc/89/07/32/1193890732.db2.gz BNNLALJEZLBIBJ-ADVWOHTOSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756961 1193890736 /nfs/dbraw/zinc/89/07/36/1193890736.db2.gz BNNLALJEZLBIBJ-ADVWOHTOSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C)cn1 ZINC001088756961 1193890738 /nfs/dbraw/zinc/89/07/38/1193890738.db2.gz BNNLALJEZLBIBJ-ADVWOHTOSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001088757371 1193892372 /nfs/dbraw/zinc/89/23/72/1193892372.db2.gz VXEGTOJSHJAJLR-KDEDCYCISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1ccn(C)n1 ZINC001088757371 1193892373 /nfs/dbraw/zinc/89/23/73/1193892373.db2.gz VXEGTOJSHJAJLR-KDEDCYCISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ccn(C)n1 ZINC001088757371 1193892374 /nfs/dbraw/zinc/89/23/74/1193892374.db2.gz VXEGTOJSHJAJLR-KDEDCYCISA-N 2 2 359.474 0.362 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000552291026 1193917828 /nfs/dbraw/zinc/91/78/28/1193917828.db2.gz LYXIPWZMHOESCK-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218576082 1224177010 /nfs/dbraw/zinc/17/70/10/1224177010.db2.gz UNNFZCNGAJEDFL-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218576082 1224177012 /nfs/dbraw/zinc/17/70/12/1224177012.db2.gz UNNFZCNGAJEDFL-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582662 1224177837 /nfs/dbraw/zinc/17/78/37/1224177837.db2.gz RNYPTIOHCWOBIL-HYVNUMGLSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582662 1224177841 /nfs/dbraw/zinc/17/78/41/1224177841.db2.gz RNYPTIOHCWOBIL-HYVNUMGLSA-N 2 2 368.522 0.543 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001083477911 1193927999 /nfs/dbraw/zinc/92/79/99/1193927999.db2.gz LBFWYBHXBPBWPE-SJORKVTESA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001083477911 1193928002 /nfs/dbraw/zinc/92/80/02/1193928002.db2.gz LBFWYBHXBPBWPE-SJORKVTESA-N 2 2 362.474 0.350 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582660 1224177950 /nfs/dbraw/zinc/17/79/50/1224177950.db2.gz RNYPTIOHCWOBIL-BHYGNILZSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582660 1224177955 /nfs/dbraw/zinc/17/79/55/1224177955.db2.gz RNYPTIOHCWOBIL-BHYGNILZSA-N 2 2 368.522 0.543 20 0 FCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)ccn2)c1 ZINC001218612810 1224181881 /nfs/dbraw/zinc/18/18/81/1224181881.db2.gz GWOYDLZGPHUCNM-OAHLLOKOSA-N 3 2 355.446 0.415 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCCn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105674420 1194088575 /nfs/dbraw/zinc/08/85/75/1194088575.db2.gz WWQVWIFVSMRKAK-PSBWJHGTSA-N 2 2 364.490 0.622 20 0 FCADLP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218661250 1224192443 /nfs/dbraw/zinc/19/24/43/1224192443.db2.gz TYXYTPYTBBTALW-CYBMUJFWSA-N 2 2 369.385 0.345 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815401 1194108403 /nfs/dbraw/zinc/10/84/03/1194108403.db2.gz NPJWCTNAQZURKK-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815401 1194108406 /nfs/dbraw/zinc/10/84/06/1194108406.db2.gz NPJWCTNAQZURKK-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815401 1194108408 /nfs/dbraw/zinc/10/84/08/1194108408.db2.gz NPJWCTNAQZURKK-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)ncn1 ZINC001088815401 1194108410 /nfs/dbraw/zinc/10/84/10/1194108410.db2.gz NPJWCTNAQZURKK-NJAFHUGGSA-N 2 2 361.490 0.973 20 0 FCADLP COC(=O)c1cc2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cnc2[nH]1 ZINC001218671383 1224193897 /nfs/dbraw/zinc/19/38/97/1224193897.db2.gz SKOCEGFKFDAHDD-ZDUSSCGKSA-N 2 2 360.418 0.038 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCC([NH3+])CC3)nc2)CC[NH2+]1 ZINC001218723930 1224205681 /nfs/dbraw/zinc/20/56/81/1224205681.db2.gz AKZIYMYNDBNYFM-SWLSCSKDSA-N 2 2 361.446 0.489 20 0 FCADLP COC(=O)[C@@H](C)CN1CC[C@@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276794128 1224207823 /nfs/dbraw/zinc/20/78/23/1224207823.db2.gz AYSQOBCFFSYZOE-KHYOSLBOSA-N 2 2 369.506 0.611 20 0 FCADLP COC(=O)[C@@H](C)CN1CC[C@@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001276794128 1224207829 /nfs/dbraw/zinc/20/78/29/1224207829.db2.gz AYSQOBCFFSYZOE-KHYOSLBOSA-N 2 2 369.506 0.611 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]31)CC2 ZINC001076186324 1194344464 /nfs/dbraw/zinc/34/44/64/1194344464.db2.gz DPBHCUUJJIPUAJ-RLFYNMQTSA-N 2 2 371.485 0.565 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]31)CC2 ZINC001076186324 1194344471 /nfs/dbraw/zinc/34/44/71/1194344471.db2.gz DPBHCUUJJIPUAJ-RLFYNMQTSA-N 2 2 371.485 0.565 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001076186504 1194345325 /nfs/dbraw/zinc/34/53/25/1194345325.db2.gz IBGPNXKPNVKBEN-ZMSDIMECSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]31)CC2 ZINC001076186504 1194345329 /nfs/dbraw/zinc/34/53/29/1194345329.db2.gz IBGPNXKPNVKBEN-ZMSDIMECSA-N 2 2 359.474 0.375 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076229097 1194361042 /nfs/dbraw/zinc/36/10/42/1194361042.db2.gz XLVAEDSVTQRIQU-SQWLQELKSA-N 2 2 355.446 0.654 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076229097 1194361043 /nfs/dbraw/zinc/36/10/43/1194361043.db2.gz XLVAEDSVTQRIQU-SQWLQELKSA-N 2 2 355.446 0.654 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001076248032 1194366771 /nfs/dbraw/zinc/36/67/71/1194366771.db2.gz TVZYIKJOXZSJNP-XJKSGUPXSA-N 2 2 361.446 0.163 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC001076248032 1194366775 /nfs/dbraw/zinc/36/67/75/1194366775.db2.gz TVZYIKJOXZSJNP-XJKSGUPXSA-N 2 2 361.446 0.163 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)ncn1 ZINC001076365892 1194421086 /nfs/dbraw/zinc/42/10/86/1194421086.db2.gz RTOOMHOTMWRVBL-FUHWJXTLSA-N 2 2 359.474 0.540 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)ncn1 ZINC001076365892 1194421089 /nfs/dbraw/zinc/42/10/89/1194421089.db2.gz RTOOMHOTMWRVBL-FUHWJXTLSA-N 2 2 359.474 0.540 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076462492 1194508503 /nfs/dbraw/zinc/50/85/03/1194508503.db2.gz XBVNKXXMOMJQKT-BMGDILEWSA-N 2 2 371.485 0.649 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076462492 1194508506 /nfs/dbraw/zinc/50/85/06/1194508506.db2.gz XBVNKXXMOMJQKT-BMGDILEWSA-N 2 2 371.485 0.649 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1n[nH]c(CC(=O)c2ccccc2)n1 ZINC001218792061 1224223335 /nfs/dbraw/zinc/22/33/35/1224223335.db2.gz HWBSWHIMUAIDAK-ZDUSSCGKSA-N 2 2 353.386 0.472 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218797555 1224224971 /nfs/dbraw/zinc/22/49/71/1224224971.db2.gz FVXBVLQZCPEHPI-XIKOKIGWSA-N 2 2 356.430 0.728 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001076575468 1194572912 /nfs/dbraw/zinc/57/29/12/1194572912.db2.gz RYGZXNWKKMJESZ-DOTOQJQBSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001076575468 1194572917 /nfs/dbraw/zinc/57/29/17/1194572917.db2.gz RYGZXNWKKMJESZ-DOTOQJQBSA-N 2 2 359.474 0.783 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568095 1194574128 /nfs/dbraw/zinc/57/41/28/1194574128.db2.gz UTZJXZZLKAHGJR-LZLYRXPVSA-N 2 2 358.490 0.673 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568095 1194574132 /nfs/dbraw/zinc/57/41/32/1194574132.db2.gz UTZJXZZLKAHGJR-LZLYRXPVSA-N 2 2 358.490 0.673 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568095 1194574136 /nfs/dbraw/zinc/57/41/36/1194574136.db2.gz UTZJXZZLKAHGJR-LZLYRXPVSA-N 2 2 358.490 0.673 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(CC5CC5)nn4)C[C@H]32)C1 ZINC001076568095 1194574138 /nfs/dbraw/zinc/57/41/38/1194574138.db2.gz UTZJXZZLKAHGJR-LZLYRXPVSA-N 2 2 358.490 0.673 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576241 1194583417 /nfs/dbraw/zinc/58/34/17/1194583417.db2.gz CBWAPXOPZSERAN-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576241 1194583420 /nfs/dbraw/zinc/58/34/20/1194583420.db2.gz CBWAPXOPZSERAN-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076594139 1194587312 /nfs/dbraw/zinc/58/73/12/1194587312.db2.gz IJDNFQZTGQKJFM-QGTPRVQTSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076594139 1194587316 /nfs/dbraw/zinc/58/73/16/1194587316.db2.gz IJDNFQZTGQKJFM-QGTPRVQTSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594139 1194587320 /nfs/dbraw/zinc/58/73/20/1194587320.db2.gz IJDNFQZTGQKJFM-QGTPRVQTSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594139 1194587322 /nfs/dbraw/zinc/58/73/22/1194587322.db2.gz IJDNFQZTGQKJFM-QGTPRVQTSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218797921 1224226178 /nfs/dbraw/zinc/22/61/78/1224226178.db2.gz JFONBJCAACEBIO-FPMFFAJLSA-N 2 2 356.430 0.727 20 0 FCADLP Cn1cnnc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795905 1224226429 /nfs/dbraw/zinc/22/64/29/1224226429.db2.gz RUMDLVAYNPULCM-RBSFLKMASA-N 2 2 364.494 0.129 20 0 FCADLP Cn1cnnc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795905 1224226437 /nfs/dbraw/zinc/22/64/37/1224226437.db2.gz RUMDLVAYNPULCM-RBSFLKMASA-N 2 2 364.494 0.129 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796113 1224228071 /nfs/dbraw/zinc/22/80/71/1224228071.db2.gz WPXVPSLOJIMTRV-VQIMIIECSA-N 3 2 363.506 0.594 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001276796113 1224228082 /nfs/dbraw/zinc/22/80/82/1224228082.db2.gz WPXVPSLOJIMTRV-VQIMIIECSA-N 3 2 363.506 0.594 20 0 FCADLP COCCCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276796000 1224228186 /nfs/dbraw/zinc/22/81/86/1224228186.db2.gz SZUUXZVJUJMTGA-VQIMIIECSA-N 2 2 371.522 0.323 20 0 FCADLP COCCCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276796000 1224228194 /nfs/dbraw/zinc/22/81/94/1224228194.db2.gz SZUUXZVJUJMTGA-VQIMIIECSA-N 2 2 371.522 0.323 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218855637 1224240709 /nfs/dbraw/zinc/24/07/09/1224240709.db2.gz LMRYQHCMIYHVKT-KRWDZBQOSA-N 3 2 372.473 0.990 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001218856090 1224240879 /nfs/dbraw/zinc/24/08/79/1224240879.db2.gz OCMWSMGEZKPJMT-HLIPFELVSA-N 3 2 373.501 0.919 20 0 FCADLP NC[C@H]([NH3+])c1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)cc1 ZINC001218882274 1224248246 /nfs/dbraw/zinc/24/82/46/1224248246.db2.gz KVSIOAOBAQRCQR-KRWDZBQOSA-N 2 2 367.453 0.943 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805275 1195024526 /nfs/dbraw/zinc/02/45/26/1195024526.db2.gz AFZTVKKMSROGLJ-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805275 1195024533 /nfs/dbraw/zinc/02/45/33/1195024533.db2.gz AFZTVKKMSROGLJ-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805275 1195024540 /nfs/dbraw/zinc/02/45/40/1195024540.db2.gz AFZTVKKMSROGLJ-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805275 1195024543 /nfs/dbraw/zinc/02/45/43/1195024543.db2.gz AFZTVKKMSROGLJ-GUDVDZBRSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812549 1195034125 /nfs/dbraw/zinc/03/41/25/1195034125.db2.gz LASDHICJBCMGKV-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812549 1195034128 /nfs/dbraw/zinc/03/41/28/1195034128.db2.gz LASDHICJBCMGKV-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812549 1195034129 /nfs/dbraw/zinc/03/41/29/1195034129.db2.gz LASDHICJBCMGKV-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001076812549 1195034132 /nfs/dbraw/zinc/03/41/32/1195034132.db2.gz LASDHICJBCMGKV-BZUAXINKSA-N 2 2 361.442 0.213 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218911295 1224255646 /nfs/dbraw/zinc/25/56/46/1224255646.db2.gz AFIOYOKEAGTCPL-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218911295 1224255657 /nfs/dbraw/zinc/25/56/57/1224255657.db2.gz AFIOYOKEAGTCPL-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218911295 1224255666 /nfs/dbraw/zinc/25/56/66/1224255666.db2.gz AFIOYOKEAGTCPL-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218911295 1224255675 /nfs/dbraw/zinc/25/56/75/1224255675.db2.gz AFIOYOKEAGTCPL-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076836962 1195043175 /nfs/dbraw/zinc/04/31/75/1195043175.db2.gz IKOVYSUVAVJOAU-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076836962 1195043181 /nfs/dbraw/zinc/04/31/81/1195043181.db2.gz IKOVYSUVAVJOAU-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076836962 1195043185 /nfs/dbraw/zinc/04/31/85/1195043185.db2.gz IKOVYSUVAVJOAU-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076836962 1195043189 /nfs/dbraw/zinc/04/31/89/1195043189.db2.gz IKOVYSUVAVJOAU-GUDVDZBRSA-N 2 2 361.486 0.631 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838609 1195043874 /nfs/dbraw/zinc/04/38/74/1195043874.db2.gz FEOXDPBNQXKKRM-KURKYZTESA-N 2 2 358.442 0.160 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838609 1195043876 /nfs/dbraw/zinc/04/38/76/1195043876.db2.gz FEOXDPBNQXKKRM-KURKYZTESA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838609 1195043879 /nfs/dbraw/zinc/04/38/79/1195043879.db2.gz FEOXDPBNQXKKRM-KURKYZTESA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@H]2O)C1 ZINC001076838609 1195043882 /nfs/dbraw/zinc/04/38/82/1195043882.db2.gz FEOXDPBNQXKKRM-KURKYZTESA-N 2 2 358.442 0.160 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836972 1195044729 /nfs/dbraw/zinc/04/47/29/1195044729.db2.gz ITYIHWSEFAKZJP-OAGGEKHMSA-N 2 2 369.412 0.616 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836972 1195044732 /nfs/dbraw/zinc/04/47/32/1195044732.db2.gz ITYIHWSEFAKZJP-OAGGEKHMSA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836972 1195044735 /nfs/dbraw/zinc/04/47/35/1195044735.db2.gz ITYIHWSEFAKZJP-OAGGEKHMSA-N 2 2 369.412 0.616 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]2O)C1 ZINC001076836972 1195044738 /nfs/dbraw/zinc/04/47/38/1195044738.db2.gz ITYIHWSEFAKZJP-OAGGEKHMSA-N 2 2 369.412 0.616 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077032873 1195164852 /nfs/dbraw/zinc/16/48/52/1195164852.db2.gz FSIILXCGEZLSBI-HUUCEWRRSA-N 2 2 368.428 0.969 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077032873 1195164857 /nfs/dbraw/zinc/16/48/57/1195164857.db2.gz FSIILXCGEZLSBI-HUUCEWRRSA-N 2 2 368.428 0.969 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077032791 1195165323 /nfs/dbraw/zinc/16/53/23/1195165323.db2.gz ADSJWNLDPLPPAO-DJIMGWMZSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001077032791 1195165324 /nfs/dbraw/zinc/16/53/24/1195165324.db2.gz ADSJWNLDPLPPAO-DJIMGWMZSA-N 2 2 362.474 0.350 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131932 1195248610 /nfs/dbraw/zinc/24/86/10/1195248610.db2.gz MTEUIQPJYSEAFY-GVDBMIGSSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131932 1195248617 /nfs/dbraw/zinc/24/86/17/1195248617.db2.gz MTEUIQPJYSEAFY-GVDBMIGSSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131932 1195248621 /nfs/dbraw/zinc/24/86/21/1195248621.db2.gz MTEUIQPJYSEAFY-GVDBMIGSSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077131932 1195248627 /nfs/dbraw/zinc/24/86/27/1195248627.db2.gz MTEUIQPJYSEAFY-GVDBMIGSSA-N 2 2 366.506 0.031 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC001077218947 1195327640 /nfs/dbraw/zinc/32/76/40/1195327640.db2.gz BOOHYHIHZDYQQN-QZTJIDSGSA-N 2 2 358.486 0.927 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC001077218947 1195327643 /nfs/dbraw/zinc/32/76/43/1195327643.db2.gz BOOHYHIHZDYQQN-QZTJIDSGSA-N 2 2 358.486 0.927 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251609 1195356164 /nfs/dbraw/zinc/35/61/64/1195356164.db2.gz HZTPCZWAWIJYHT-ATZDWAIDSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251609 1195356169 /nfs/dbraw/zinc/35/61/69/1195356169.db2.gz HZTPCZWAWIJYHT-ATZDWAIDSA-N 2 2 370.453 0.686 20 0 FCADLP CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800461 1224275463 /nfs/dbraw/zinc/27/54/63/1224275463.db2.gz SGFPWNPOGQWKBJ-APWZRJJASA-N 2 2 364.490 0.984 20 0 FCADLP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800461 1224275474 /nfs/dbraw/zinc/27/54/74/1224275474.db2.gz SGFPWNPOGQWKBJ-APWZRJJASA-N 2 2 364.490 0.984 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077259299 1195364536 /nfs/dbraw/zinc/36/45/36/1195364536.db2.gz NHWCCCPYKZAZAD-BHIYHBOVSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077259299 1195364541 /nfs/dbraw/zinc/36/45/41/1195364541.db2.gz NHWCCCPYKZAZAD-BHIYHBOVSA-N 2 2 354.454 0.850 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077275905 1195376419 /nfs/dbraw/zinc/37/64/19/1195376419.db2.gz BNOQFUDEUQFKLF-QZTJIDSGSA-N 2 2 368.441 0.660 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077275905 1195376424 /nfs/dbraw/zinc/37/64/24/1195376424.db2.gz BNOQFUDEUQFKLF-QZTJIDSGSA-N 2 2 368.441 0.660 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276177 1195377968 /nfs/dbraw/zinc/37/79/68/1195377968.db2.gz PMVCCTBGTGLOCQ-IAGOWNOFSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276177 1195377974 /nfs/dbraw/zinc/37/79/74/1195377974.db2.gz PMVCCTBGTGLOCQ-IAGOWNOFSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001083570928 1195383936 /nfs/dbraw/zinc/38/39/36/1195383936.db2.gz WXRJQXAGDSKVMM-SJORKVTESA-N 2 2 369.429 0.246 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001083570928 1195383941 /nfs/dbraw/zinc/38/39/41/1195383941.db2.gz WXRJQXAGDSKVMM-SJORKVTESA-N 2 2 369.429 0.246 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573286 1195440246 /nfs/dbraw/zinc/44/02/46/1195440246.db2.gz DPAQBQJUDHGXRM-QYZOEREBSA-N 2 2 359.470 0.862 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573286 1195440249 /nfs/dbraw/zinc/44/02/49/1195440249.db2.gz DPAQBQJUDHGXRM-QYZOEREBSA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573286 1195440254 /nfs/dbraw/zinc/44/02/54/1195440254.db2.gz DPAQBQJUDHGXRM-QYZOEREBSA-N 2 2 359.470 0.862 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083573286 1195440256 /nfs/dbraw/zinc/44/02/56/1195440256.db2.gz DPAQBQJUDHGXRM-QYZOEREBSA-N 2 2 359.470 0.862 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1C ZINC001077395105 1195493440 /nfs/dbraw/zinc/49/34/40/1195493440.db2.gz UCCBVSYIMOZLOI-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1C ZINC001077395105 1195493443 /nfs/dbraw/zinc/49/34/43/1195493443.db2.gz UCCBVSYIMOZLOI-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077395192 1195494127 /nfs/dbraw/zinc/49/41/27/1195494127.db2.gz YKCAQGXRDPNPTA-HZPDHXFCSA-N 2 2 356.386 0.089 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077395192 1195494131 /nfs/dbraw/zinc/49/41/31/1195494131.db2.gz YKCAQGXRDPNPTA-HZPDHXFCSA-N 2 2 356.386 0.089 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583380 1195538819 /nfs/dbraw/zinc/53/88/19/1195538819.db2.gz DDMRZORJRWWEED-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583380 1195538821 /nfs/dbraw/zinc/53/88/21/1195538821.db2.gz DDMRZORJRWWEED-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583451 1195539081 /nfs/dbraw/zinc/53/90/81/1195539081.db2.gz HFSNETHMBJYDBP-BBWFWOEESA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583451 1195539085 /nfs/dbraw/zinc/53/90/85/1195539085.db2.gz HFSNETHMBJYDBP-BBWFWOEESA-N 2 2 362.474 0.424 20 0 FCADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905034092 1195570759 /nfs/dbraw/zinc/57/07/59/1195570759.db2.gz IMTWYCOCSKRMML-PMACEKPBSA-N 2 2 363.502 0.691 20 0 FCADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C[C@]1(O)CCOC1 ZINC000905034097 1195571265 /nfs/dbraw/zinc/57/12/65/1195571265.db2.gz IMTWYCOCSKRMML-WOJBJXKFSA-N 2 2 363.502 0.691 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C[C@]1(O)CCOC1 ZINC000905233050 1195578875 /nfs/dbraw/zinc/57/88/75/1195578875.db2.gz PYPQEWMVKZEGLT-XUVXKRRUSA-N 2 2 364.486 0.770 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@]1(O)CCOC1 ZINC000905233050 1195578879 /nfs/dbraw/zinc/57/88/79/1195578879.db2.gz PYPQEWMVKZEGLT-XUVXKRRUSA-N 2 2 364.486 0.770 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591365 1195589129 /nfs/dbraw/zinc/58/91/29/1195589129.db2.gz ZMEPJNLMGRTSLC-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591365 1195589137 /nfs/dbraw/zinc/58/91/37/1195589137.db2.gz ZMEPJNLMGRTSLC-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664556 1195643507 /nfs/dbraw/zinc/64/35/07/1195643507.db2.gz LVVSDTYHYRKXEV-HNNXBMFYSA-N 3 2 359.474 0.369 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906664556 1195643508 /nfs/dbraw/zinc/64/35/08/1195643508.db2.gz LVVSDTYHYRKXEV-HNNXBMFYSA-N 3 2 359.474 0.369 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000906696656 1195650462 /nfs/dbraw/zinc/65/04/62/1195650462.db2.gz GBPOXRFGOGULHK-UHFFFAOYSA-N 2 2 359.474 0.370 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083606994 1195682157 /nfs/dbraw/zinc/68/21/57/1195682157.db2.gz AAMVEXGOVUKIEE-ILXRZTDVSA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083606994 1195682161 /nfs/dbraw/zinc/68/21/61/1195682161.db2.gz AAMVEXGOVUKIEE-ILXRZTDVSA-N 2 2 366.368 0.533 20 0 FCADLP C[NH+](C)CCn1nccc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000909877587 1195799605 /nfs/dbraw/zinc/79/96/05/1195799605.db2.gz BKIJZMBPTJXBHZ-UHFFFAOYSA-N 2 2 365.478 0.056 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1=O ZINC001083644787 1195934247 /nfs/dbraw/zinc/93/42/47/1195934247.db2.gz WBHFBZQXVWOZOY-IKGGRYGDSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)C1=O ZINC001083644787 1195934251 /nfs/dbraw/zinc/93/42/51/1195934251.db2.gz WBHFBZQXVWOZOY-IKGGRYGDSA-N 2 2 371.441 0.119 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000911369222 1195949501 /nfs/dbraw/zinc/94/95/01/1195949501.db2.gz XQLACSKWCOCSCQ-RDJZCZTQSA-N 2 2 355.442 0.938 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000911369220 1195949935 /nfs/dbraw/zinc/94/99/35/1195949935.db2.gz XQLACSKWCOCSCQ-DOTOQJQBSA-N 2 2 355.442 0.938 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)ccn1 ZINC001083645070 1195953210 /nfs/dbraw/zinc/95/32/10/1195953210.db2.gz JPTWSOOEXXLTKC-SJORKVTESA-N 2 2 367.409 0.713 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)ccn1 ZINC001083645070 1195953215 /nfs/dbraw/zinc/95/32/15/1195953215.db2.gz JPTWSOOEXXLTKC-SJORKVTESA-N 2 2 367.409 0.713 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444466 1196417840 /nfs/dbraw/zinc/41/78/40/1196417840.db2.gz ZYXIYERHPCQULE-KURKYZTESA-N 2 2 362.474 0.827 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444466 1196417845 /nfs/dbraw/zinc/41/78/45/1196417845.db2.gz ZYXIYERHPCQULE-KURKYZTESA-N 2 2 362.474 0.827 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)NC3CCCC3)CC2)CC1 ZINC000586872940 1196462489 /nfs/dbraw/zinc/46/24/89/1196462489.db2.gz XFUUVSUFKYJHHQ-UHFFFAOYSA-N 2 2 365.522 0.903 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000592963293 1196596863 /nfs/dbraw/zinc/59/68/63/1196596863.db2.gz JXUPUXNZKAOIDD-DLBZAZTESA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000592963293 1196596872 /nfs/dbraw/zinc/59/68/72/1196596872.db2.gz JXUPUXNZKAOIDD-DLBZAZTESA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000592963861 1196597701 /nfs/dbraw/zinc/59/77/01/1196597701.db2.gz MTFGWMATFYGYSW-INIZCTEOSA-N 2 2 360.458 0.970 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001088857224 1196804084 /nfs/dbraw/zinc/80/40/84/1196804084.db2.gz HFZPBVJYUMPCJL-INMHGKMJSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001088857224 1196804085 /nfs/dbraw/zinc/80/40/85/1196804085.db2.gz HFZPBVJYUMPCJL-INMHGKMJSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001088857224 1196804086 /nfs/dbraw/zinc/80/40/86/1196804086.db2.gz HFZPBVJYUMPCJL-INMHGKMJSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001088857224 1196804087 /nfs/dbraw/zinc/80/40/87/1196804087.db2.gz HFZPBVJYUMPCJL-INMHGKMJSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106068736 1196823043 /nfs/dbraw/zinc/82/30/43/1196823043.db2.gz NQZSTXSMCPZTFQ-OAGGEKHMSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001088912707 1196834386 /nfs/dbraw/zinc/83/43/86/1196834386.db2.gz NDQBOILMELSSAV-PBHICJAKSA-N 2 2 359.478 0.571 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccn(C)n1 ZINC001088912707 1196834388 /nfs/dbraw/zinc/83/43/88/1196834388.db2.gz NDQBOILMELSSAV-PBHICJAKSA-N 2 2 359.478 0.571 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001089089653 1196894390 /nfs/dbraw/zinc/89/43/90/1196894390.db2.gz NVVRQSNVJLNBQG-CABCVRRESA-N 2 2 358.450 0.582 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001089089653 1196894392 /nfs/dbraw/zinc/89/43/92/1196894392.db2.gz NVVRQSNVJLNBQG-CABCVRRESA-N 2 2 358.450 0.582 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2 ZINC000992237850 1197028531 /nfs/dbraw/zinc/02/85/31/1197028531.db2.gz AZSJJWBXMYSLDB-RRIFGTCXSA-N 2 2 369.473 0.929 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992237850 1197028538 /nfs/dbraw/zinc/02/85/38/1197028538.db2.gz AZSJJWBXMYSLDB-RRIFGTCXSA-N 2 2 369.473 0.929 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2)[C@@H](CO)n1cc[nH+]c1 ZINC001272459314 1197088328 /nfs/dbraw/zinc/08/83/28/1197088328.db2.gz GNLQRDUJRBMYLF-NXHRZFHOSA-N 2 2 358.446 0.891 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC[N@@H+]1C ZINC000992409125 1197092359 /nfs/dbraw/zinc/09/23/59/1197092359.db2.gz SCXPGMMKTWBUJI-CWRNSKLLSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC[N@H+]1C ZINC000992409125 1197092365 /nfs/dbraw/zinc/09/23/65/1197092365.db2.gz SCXPGMMKTWBUJI-CWRNSKLLSA-N 2 2 359.474 0.503 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001272467031 1197102831 /nfs/dbraw/zinc/10/28/31/1197102831.db2.gz JDGZQCBDVZAIPT-IXDOHACOSA-N 2 2 366.462 0.207 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001272467031 1197102834 /nfs/dbraw/zinc/10/28/34/1197102834.db2.gz JDGZQCBDVZAIPT-IXDOHACOSA-N 2 2 366.462 0.207 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH2+]CCOCCO)[C@H](C)C3)ccn12 ZINC001106131389 1197106466 /nfs/dbraw/zinc/10/64/66/1197106466.db2.gz ZWSMDXSTFSJBSK-RHSMWYFYSA-N 2 2 360.458 0.949 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000913683774 1197108946 /nfs/dbraw/zinc/10/89/46/1197108946.db2.gz RVBSXFYIWURMSJ-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000913735742 1197119381 /nfs/dbraw/zinc/11/93/81/1197119381.db2.gz CQFJQTTWDFYHEO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000913735742 1197119387 /nfs/dbraw/zinc/11/93/87/1197119387.db2.gz CQFJQTTWDFYHEO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000913735742 1197119393 /nfs/dbraw/zinc/11/93/93/1197119393.db2.gz CQFJQTTWDFYHEO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000913735742 1197119399 /nfs/dbraw/zinc/11/93/99/1197119399.db2.gz CQFJQTTWDFYHEO-FQEVSTJZSA-N 2 2 374.529 0.805 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C(F)F ZINC001272520099 1197247215 /nfs/dbraw/zinc/24/72/15/1197247215.db2.gz FXFOQPNSZZDJKC-QJPTWQEYSA-N 2 2 368.388 0.382 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992856731 1197567302 /nfs/dbraw/zinc/56/73/02/1197567302.db2.gz ZZHVDPILFQQRIR-HNAYVOBHSA-N 2 2 370.457 0.854 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992942371 1197621566 /nfs/dbraw/zinc/62/15/66/1197621566.db2.gz NZUQHBWOFVJTNO-KHYOSLBOSA-N 2 2 359.474 0.221 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992942371 1197621573 /nfs/dbraw/zinc/62/15/73/1197621573.db2.gz NZUQHBWOFVJTNO-KHYOSLBOSA-N 2 2 359.474 0.221 20 0 FCADLP C[C@@]12CN(C(=O)Cn3cc[nH+]c3)C[C@@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000992959912 1197631364 /nfs/dbraw/zinc/63/13/64/1197631364.db2.gz MVEUMHLFJYIJJE-HLIPFELVSA-N 2 2 371.485 0.532 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992993481 1197648052 /nfs/dbraw/zinc/64/80/52/1197648052.db2.gz PFKOORYDBYFSBX-ASKNOMKYSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992993481 1197648061 /nfs/dbraw/zinc/64/80/61/1197648061.db2.gz PFKOORYDBYFSBX-ASKNOMKYSA-N 2 2 373.501 0.989 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC001085248523 1197745601 /nfs/dbraw/zinc/74/56/01/1197745601.db2.gz NRJRMXJGVNGLAJ-IAOVAPTHSA-N 2 2 357.462 0.791 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1)N1CCC1 ZINC001085248748 1197746329 /nfs/dbraw/zinc/74/63/29/1197746329.db2.gz XWIWWLMYTBFOEH-DJIMGWMZSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106224371 1197751578 /nfs/dbraw/zinc/75/15/78/1197751578.db2.gz XBTSQKPWJHBRBE-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106224371 1197751586 /nfs/dbraw/zinc/75/15/86/1197751586.db2.gz XBTSQKPWJHBRBE-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)n1 ZINC001085284957 1197794159 /nfs/dbraw/zinc/79/41/59/1197794159.db2.gz UVYUQWPCXTXSEZ-BFYDXBDKSA-N 2 2 361.494 0.602 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)nc1=O ZINC001085333434 1197826517 /nfs/dbraw/zinc/82/65/17/1197826517.db2.gz PSLZICLBUDONGG-ZIAGYGMSSA-N 2 2 364.494 0.357 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)nc1=O ZINC001085333434 1197826522 /nfs/dbraw/zinc/82/65/22/1197826522.db2.gz PSLZICLBUDONGG-ZIAGYGMSSA-N 2 2 364.494 0.357 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085352601 1197837023 /nfs/dbraw/zinc/83/70/23/1197837023.db2.gz OOCLXYVRHDXZEB-OAGGEKHMSA-N 2 2 363.510 0.990 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085352601 1197837025 /nfs/dbraw/zinc/83/70/25/1197837025.db2.gz OOCLXYVRHDXZEB-OAGGEKHMSA-N 2 2 363.510 0.990 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)n1 ZINC001085394229 1197863167 /nfs/dbraw/zinc/86/31/67/1197863167.db2.gz AMXPMVHKGAJFNJ-HZPDHXFCSA-N 2 2 358.446 0.978 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)C2 ZINC001106343310 1197872045 /nfs/dbraw/zinc/87/20/45/1197872045.db2.gz YJPGHDCZGBUTQY-VNQPRFMTSA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)CC2 ZINC001106343310 1197872047 /nfs/dbraw/zinc/87/20/47/1197872047.db2.gz YJPGHDCZGBUTQY-VNQPRFMTSA-N 2 2 371.489 0.799 20 0 FCADLP CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001085423732 1197888659 /nfs/dbraw/zinc/88/86/59/1197888659.db2.gz DQYKMAOJWMCUIT-HUUCEWRRSA-N 2 2 360.466 0.805 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)nn1 ZINC001085429356 1197895593 /nfs/dbraw/zinc/89/55/93/1197895593.db2.gz PDMNTTIWIORSKQ-BRWVUGGUSA-N 2 2 364.494 0.536 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)nn1 ZINC001085429356 1197895595 /nfs/dbraw/zinc/89/55/95/1197895595.db2.gz PDMNTTIWIORSKQ-BRWVUGGUSA-N 2 2 364.494 0.536 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC000993174381 1197930637 /nfs/dbraw/zinc/93/06/37/1197930637.db2.gz GQPYFRXLGNNPHJ-QFBILLFUSA-N 2 2 359.474 0.676 20 0 FCADLP CC[NH+]1CCN(c2nc(NC3CC3)nc(N3CC[NH+](CC)CC3)n2)CC1 ZINC000762197393 1197938628 /nfs/dbraw/zinc/93/86/28/1197938628.db2.gz YHZIHOYYOVQLIK-UHFFFAOYSA-N 2 2 360.510 0.152 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)C(=O)NC1CC1 ZINC001106464046 1197946175 /nfs/dbraw/zinc/94/61/75/1197946175.db2.gz BQIMMMQBAZVJRI-QLFBSQMISA-N 2 2 361.490 0.704 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085670811 1197976701 /nfs/dbraw/zinc/97/67/01/1197976701.db2.gz FYKDFWQNHWIDKG-VNQPRFMTSA-N 2 2 365.478 0.562 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085670811 1197976704 /nfs/dbraw/zinc/97/67/04/1197976704.db2.gz FYKDFWQNHWIDKG-VNQPRFMTSA-N 2 2 365.478 0.562 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085670811 1197976716 /nfs/dbraw/zinc/97/67/16/1197976716.db2.gz FYKDFWQNHWIDKG-VNQPRFMTSA-N 2 2 365.478 0.562 20 0 FCADLP COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110867 1197991543 /nfs/dbraw/zinc/99/15/43/1197991543.db2.gz JXLMCBYFDWVNRD-GOSISDBHSA-N 2 2 368.478 0.335 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001086090853 1198158171 /nfs/dbraw/zinc/15/81/71/1198158171.db2.gz UPUVCFPWTROAMX-APIJFGDWSA-N 2 2 363.510 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001086090853 1198158207 /nfs/dbraw/zinc/15/82/07/1198158207.db2.gz UPUVCFPWTROAMX-APIJFGDWSA-N 2 2 363.510 0.753 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001086202075 1198252800 /nfs/dbraw/zinc/25/28/00/1198252800.db2.gz GVBRJYQPXKDEFF-JKJDWNRSSA-N 2 2 359.474 0.629 20 0 FCADLP COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219488883 1224485951 /nfs/dbraw/zinc/48/59/51/1224485951.db2.gz ANTKBGXJCXRZCN-DYVFJYSZSA-N 3 2 361.490 0.853 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)c1ccccc1 ZINC001219550957 1224506021 /nfs/dbraw/zinc/50/60/21/1224506021.db2.gz MIVDYCXVNRRJHF-IXDOHACOSA-N 2 2 358.442 0.891 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)c1ccccc1 ZINC001219550957 1224506027 /nfs/dbraw/zinc/50/60/27/1224506027.db2.gz MIVDYCXVNRRJHF-IXDOHACOSA-N 2 2 358.442 0.891 20 0 FCADLP CC(C)CN1N=C(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1=O ZINC000766394666 1199027431 /nfs/dbraw/zinc/02/74/31/1199027431.db2.gz UDVQYSZFPRRPJV-OAHLLOKOSA-N 2 2 363.506 0.906 20 0 FCADLP CC(C)CN1N=C(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1=O ZINC000766394666 1199027436 /nfs/dbraw/zinc/02/74/36/1199027436.db2.gz UDVQYSZFPRRPJV-OAHLLOKOSA-N 2 2 363.506 0.906 20 0 FCADLP CC[C@@H]1C(=O)N(C)c2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2N1C(C)C ZINC001169070789 1199044123 /nfs/dbraw/zinc/04/41/23/1199044123.db2.gz BKLXBZSPBHYYIX-TZMCWYRMSA-N 2 2 373.461 0.494 20 0 FCADLP CC[NH+]1CCC([NH2+]CC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC001169230113 1199056372 /nfs/dbraw/zinc/05/63/72/1199056372.db2.gz QKVRGYGEDOYHKX-QGZVFWFLSA-N 2 2 365.474 0.927 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001219632788 1224538828 /nfs/dbraw/zinc/53/88/28/1224538828.db2.gz KERGJNXHSAYTEW-OAGGEKHMSA-N 2 2 368.522 0.456 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001219632788 1224538832 /nfs/dbraw/zinc/53/88/32/1224538832.db2.gz KERGJNXHSAYTEW-OAGGEKHMSA-N 2 2 368.522 0.456 20 0 FCADLP COc1ccc2c(C[C@H]([NH3+])C(=O)NCCc3cn(C)c[nH+]3)cc(=O)oc2c1 ZINC001219634218 1224539681 /nfs/dbraw/zinc/53/96/81/1224539681.db2.gz PNGJGIVTMAWAQZ-INIZCTEOSA-N 2 2 370.409 0.764 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC001219633851 1224539866 /nfs/dbraw/zinc/53/98/66/1224539866.db2.gz GFLRLYHONIMGMA-ROUUACIJSA-N 2 2 369.469 0.558 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729166 1224581829 /nfs/dbraw/zinc/58/18/29/1224581829.db2.gz PSTXJPINYPGCBP-QYZOEREBSA-N 4 2 371.529 0.151 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729166 1224581835 /nfs/dbraw/zinc/58/18/35/1224581835.db2.gz PSTXJPINYPGCBP-QYZOEREBSA-N 4 2 371.529 0.151 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386314 1200236013 /nfs/dbraw/zinc/23/60/13/1200236013.db2.gz WRTLJWZIBCFDMB-IKGGRYGDSA-N 2 2 363.462 0.217 20 0 FCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386314 1200236014 /nfs/dbraw/zinc/23/60/14/1200236014.db2.gz WRTLJWZIBCFDMB-IKGGRYGDSA-N 2 2 363.462 0.217 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410878 1200252891 /nfs/dbraw/zinc/25/28/91/1200252891.db2.gz ZLEOIZZUZUEICA-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410878 1200252893 /nfs/dbraw/zinc/25/28/93/1200252893.db2.gz ZLEOIZZUZUEICA-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410878 1200252896 /nfs/dbraw/zinc/25/28/96/1200252896.db2.gz ZLEOIZZUZUEICA-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410878 1200252899 /nfs/dbraw/zinc/25/28/99/1200252899.db2.gz ZLEOIZZUZUEICA-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449453 1200288486 /nfs/dbraw/zinc/28/84/86/1200288486.db2.gz WDJRSPQSTXIHTB-LTIDMASMSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449453 1200288490 /nfs/dbraw/zinc/28/84/90/1200288490.db2.gz WDJRSPQSTXIHTB-LTIDMASMSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109449453 1200288495 /nfs/dbraw/zinc/28/84/95/1200288495.db2.gz WDJRSPQSTXIHTB-LTIDMASMSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449453 1200288500 /nfs/dbraw/zinc/28/85/00/1200288500.db2.gz WDJRSPQSTXIHTB-LTIDMASMSA-N 2 2 365.522 0.900 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519931 1200357767 /nfs/dbraw/zinc/35/77/67/1200357767.db2.gz AMACPFLCGOXYAM-SNPRPXQTSA-N 2 2 370.413 0.125 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109519931 1200357772 /nfs/dbraw/zinc/35/77/72/1200357772.db2.gz AMACPFLCGOXYAM-SNPRPXQTSA-N 2 2 370.413 0.125 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001109652699 1200445427 /nfs/dbraw/zinc/44/54/27/1200445427.db2.gz FOJGDWMVEFUBPI-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001109652699 1200445431 /nfs/dbraw/zinc/44/54/31/1200445431.db2.gz FOJGDWMVEFUBPI-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797997 1224616776 /nfs/dbraw/zinc/61/67/76/1224616776.db2.gz CDINUHNATSEYDW-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797997 1224616780 /nfs/dbraw/zinc/61/67/80/1224616780.db2.gz CDINUHNATSEYDW-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771384793 1200574100 /nfs/dbraw/zinc/57/41/00/1200574100.db2.gz YSQWFBDUIRYJMF-HNNXBMFYSA-N 2 2 369.510 0.885 20 0 FCADLP CCOC(=O)N1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771384793 1200574105 /nfs/dbraw/zinc/57/41/05/1200574105.db2.gz YSQWFBDUIRYJMF-HNNXBMFYSA-N 2 2 369.510 0.885 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803852 1224623020 /nfs/dbraw/zinc/62/30/20/1224623020.db2.gz GVTNKTOEFSSRTJ-IKGGRYGDSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219803852 1224623024 /nfs/dbraw/zinc/62/30/24/1224623024.db2.gz GVTNKTOEFSSRTJ-IKGGRYGDSA-N 2 2 364.490 0.985 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109977287 1200659472 /nfs/dbraw/zinc/65/94/72/1200659472.db2.gz BXSJASWMCSZEAE-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109977287 1200659475 /nfs/dbraw/zinc/65/94/75/1200659475.db2.gz BXSJASWMCSZEAE-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804323 1224624200 /nfs/dbraw/zinc/62/42/00/1224624200.db2.gz SGQLYDKQKHHYAJ-RYRKJORJSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804323 1224624205 /nfs/dbraw/zinc/62/42/05/1224624205.db2.gz SGQLYDKQKHHYAJ-RYRKJORJSA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001110016498 1200704325 /nfs/dbraw/zinc/70/43/25/1200704325.db2.gz RAFCWXLESREYTO-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001110016498 1200704340 /nfs/dbraw/zinc/70/43/40/1200704340.db2.gz RAFCWXLESREYTO-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001110016498 1200704346 /nfs/dbraw/zinc/70/43/46/1200704346.db2.gz RAFCWXLESREYTO-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001110016498 1200704350 /nfs/dbraw/zinc/70/43/50/1200704350.db2.gz RAFCWXLESREYTO-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110051848 1200737427 /nfs/dbraw/zinc/73/74/27/1200737427.db2.gz CDJIAZWWFDCVQM-UBDQQSCGSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110051848 1200737433 /nfs/dbraw/zinc/73/74/33/1200737433.db2.gz CDJIAZWWFDCVQM-UBDQQSCGSA-N 2 2 372.473 0.332 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815766 1224631564 /nfs/dbraw/zinc/63/15/64/1224631564.db2.gz IZOGJNVMAOHQHK-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815766 1224631573 /nfs/dbraw/zinc/63/15/73/1224631573.db2.gz IZOGJNVMAOHQHK-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815766 1224631580 /nfs/dbraw/zinc/63/15/80/1224631580.db2.gz IZOGJNVMAOHQHK-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815766 1224631588 /nfs/dbraw/zinc/63/15/88/1224631588.db2.gz IZOGJNVMAOHQHK-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590376 1200829097 /nfs/dbraw/zinc/82/90/97/1200829097.db2.gz RJEJIKDSMRWGFE-SCTDSRPQSA-N 2 2 364.490 0.889 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000786459938 1200839419 /nfs/dbraw/zinc/83/94/19/1200839419.db2.gz UZCUNYYYBCPUBH-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746630969 1200866307 /nfs/dbraw/zinc/86/63/07/1200866307.db2.gz FWCQYGQQVYQDEA-MRXNPFEDSA-N 2 2 358.446 0.822 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746630969 1200866308 /nfs/dbraw/zinc/86/63/08/1200866308.db2.gz FWCQYGQQVYQDEA-MRXNPFEDSA-N 2 2 358.446 0.822 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787475622 1200887741 /nfs/dbraw/zinc/88/77/41/1200887741.db2.gz ADQKIDGKDHSGHT-UHFFFAOYSA-N 2 2 367.413 0.513 20 0 FCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787939531 1200926577 /nfs/dbraw/zinc/92/65/77/1200926577.db2.gz KDOGJLFYFAPYMQ-LSDHHAIUSA-N 2 2 362.474 0.612 20 0 FCADLP C[C@@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787939531 1200926581 /nfs/dbraw/zinc/92/65/81/1200926581.db2.gz KDOGJLFYFAPYMQ-LSDHHAIUSA-N 2 2 362.474 0.612 20 0 FCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787939528 1200926687 /nfs/dbraw/zinc/92/66/87/1200926687.db2.gz KDOGJLFYFAPYMQ-HUUCEWRRSA-N 2 2 362.474 0.612 20 0 FCADLP C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787939528 1200926691 /nfs/dbraw/zinc/92/66/91/1200926691.db2.gz KDOGJLFYFAPYMQ-HUUCEWRRSA-N 2 2 362.474 0.612 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000789021635 1200986097 /nfs/dbraw/zinc/98/60/97/1200986097.db2.gz MPXZSMDTGCBQNQ-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086578957 1201023634 /nfs/dbraw/zinc/02/36/34/1201023634.db2.gz GTEUSQQQCGHGPC-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001086578957 1201023642 /nfs/dbraw/zinc/02/36/42/1201023642.db2.gz GTEUSQQQCGHGPC-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001086578957 1201023650 /nfs/dbraw/zinc/02/36/50/1201023650.db2.gz GTEUSQQQCGHGPC-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP Cn1nncc1C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086578957 1201023660 /nfs/dbraw/zinc/02/36/60/1201023660.db2.gz GTEUSQQQCGHGPC-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)[C@@H](c2ccccc2)C1 ZINC001113365670 1201095388 /nfs/dbraw/zinc/09/53/88/1201095388.db2.gz SVCKUVIPFSATNU-MOPGFXCFSA-N 2 2 361.486 0.485 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)[C@@H](c2ccccc2)C1 ZINC001113365670 1201095389 /nfs/dbraw/zinc/09/53/89/1201095389.db2.gz SVCKUVIPFSATNU-MOPGFXCFSA-N 2 2 361.486 0.485 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001086599561 1201147489 /nfs/dbraw/zinc/14/74/89/1201147489.db2.gz WFVMUZFOWWSUAT-ZWKOTPCHSA-N 2 2 369.469 0.864 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001086599561 1201147493 /nfs/dbraw/zinc/14/74/93/1201147493.db2.gz WFVMUZFOWWSUAT-ZWKOTPCHSA-N 2 2 369.469 0.864 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609707 1201217713 /nfs/dbraw/zinc/21/77/13/1201217713.db2.gz TZVUJDCAXZFLFI-RYQLBKOJSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609707 1201217718 /nfs/dbraw/zinc/21/77/18/1201217718.db2.gz TZVUJDCAXZFLFI-RYQLBKOJSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001086609707 1201217723 /nfs/dbraw/zinc/21/77/23/1201217723.db2.gz TZVUJDCAXZFLFI-RYQLBKOJSA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001086609707 1201217726 /nfs/dbraw/zinc/21/77/26/1201217726.db2.gz TZVUJDCAXZFLFI-RYQLBKOJSA-N 2 2 358.486 0.658 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461691 1201327613 /nfs/dbraw/zinc/32/76/13/1201327613.db2.gz ZBCQNKBYJYHYEH-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461691 1201327620 /nfs/dbraw/zinc/32/76/20/1201327620.db2.gz ZBCQNKBYJYHYEH-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461691 1201327625 /nfs/dbraw/zinc/32/76/25/1201327625.db2.gz ZBCQNKBYJYHYEH-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129461691 1201327631 /nfs/dbraw/zinc/32/76/31/1201327631.db2.gz ZBCQNKBYJYHYEH-ZACQAIPSSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490436 1201332987 /nfs/dbraw/zinc/33/29/87/1201332987.db2.gz FNORYZSPLRJBTK-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490436 1201332994 /nfs/dbraw/zinc/33/29/94/1201332994.db2.gz FNORYZSPLRJBTK-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086624126 1201358841 /nfs/dbraw/zinc/35/88/41/1201358841.db2.gz OUHZZCYKTHBHRX-RRQGHBQHSA-N 2 2 355.442 0.650 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086624126 1201358849 /nfs/dbraw/zinc/35/88/49/1201358849.db2.gz OUHZZCYKTHBHRX-RRQGHBQHSA-N 2 2 355.442 0.650 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910537 1201423162 /nfs/dbraw/zinc/42/31/62/1201423162.db2.gz XNMASYNWCSWECZ-VUCTXSBTSA-N 2 2 369.429 0.845 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902533 1224675664 /nfs/dbraw/zinc/67/56/64/1224675664.db2.gz FARNVOKJDJKBKK-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902533 1224675666 /nfs/dbraw/zinc/67/56/66/1224675666.db2.gz FARNVOKJDJKBKK-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902533 1224675669 /nfs/dbraw/zinc/67/56/69/1224675669.db2.gz FARNVOKJDJKBKK-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001219902533 1224675673 /nfs/dbraw/zinc/67/56/73/1224675673.db2.gz FARNVOKJDJKBKK-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](C)C1(C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CCC1 ZINC001130215690 1201546138 /nfs/dbraw/zinc/54/61/38/1201546138.db2.gz BSQRHAZIHLKPHC-STQMWFEESA-N 2 2 368.457 0.337 20 0 FCADLP C[NH+](C)C1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)CCC1 ZINC001130215690 1201546143 /nfs/dbraw/zinc/54/61/43/1201546143.db2.gz BSQRHAZIHLKPHC-STQMWFEESA-N 2 2 368.457 0.337 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130244938 1201565381 /nfs/dbraw/zinc/56/53/81/1201565381.db2.gz RZAVTMRXBNSCTE-GJZGRUSLSA-N 2 2 364.494 0.635 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944349 1224693256 /nfs/dbraw/zinc/69/32/56/1224693256.db2.gz WZMGGPJCVNGIMG-XHSDSOJGSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944349 1224693258 /nfs/dbraw/zinc/69/32/58/1224693258.db2.gz WZMGGPJCVNGIMG-XHSDSOJGSA-N 2 2 366.506 0.031 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039522 1224735107 /nfs/dbraw/zinc/73/51/07/1224735107.db2.gz IGCNYRPHCWDHEQ-FHBSJOOWSA-N 3 2 365.478 0.388 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130685354 1202753573 /nfs/dbraw/zinc/75/35/73/1202753573.db2.gz PPODJDYRONVQKZ-DOTOQJQBSA-N 2 2 360.462 0.695 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2[NH2+]CCCO)c1 ZINC001130739684 1202770731 /nfs/dbraw/zinc/77/07/31/1202770731.db2.gz JUAPYAWIZLAQOJ-DOTOQJQBSA-N 2 2 360.462 0.363 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1)[NH+](C)C ZINC001130809156 1202802151 /nfs/dbraw/zinc/80/21/51/1202802151.db2.gz KAKLCFDETQMIGE-MELADBBJSA-N 2 2 368.482 0.217 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078450 1224748838 /nfs/dbraw/zinc/74/88/38/1224748838.db2.gz QZSZRBDWNKPKTH-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078450 1224748842 /nfs/dbraw/zinc/74/88/42/1224748842.db2.gz QZSZRBDWNKPKTH-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001131115194 1202867342 /nfs/dbraw/zinc/86/73/42/1202867342.db2.gz CNSDAUJEMDHHFI-HUUCEWRRSA-N 2 2 361.450 0.229 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001131115194 1202867344 /nfs/dbraw/zinc/86/73/44/1202867344.db2.gz CNSDAUJEMDHHFI-HUUCEWRRSA-N 2 2 361.450 0.229 20 0 FCADLP O[C@H]1c2ccccc2OC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000808729211 1202896872 /nfs/dbraw/zinc/89/68/72/1202896872.db2.gz IECRKUTZULQBIV-QUCCMNQESA-N 2 2 361.486 0.867 20 0 FCADLP O=C(NCC[NH2+]CCc1ccccc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613809 1202921811 /nfs/dbraw/zinc/92/18/11/1202921811.db2.gz OEEQYINOMVUKCA-MOPGFXCFSA-N 2 2 361.486 0.815 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCC=CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000805502501 1203003257 /nfs/dbraw/zinc/00/32/57/1203003257.db2.gz IVXFFCGGESVLBK-IRXDYDNUSA-N 2 2 364.490 0.422 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCC=CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000805502501 1203003263 /nfs/dbraw/zinc/00/32/63/1203003263.db2.gz IVXFFCGGESVLBK-IRXDYDNUSA-N 2 2 364.490 0.422 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001086736311 1203062431 /nfs/dbraw/zinc/06/24/31/1203062431.db2.gz LHFMJQGGSYZDNR-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737455 1203063282 /nfs/dbraw/zinc/06/32/82/1203063282.db2.gz KDPLZCMIEARQKN-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001086737529 1203063937 /nfs/dbraw/zinc/06/39/37/1203063937.db2.gz NOWUWLMDTBRBRD-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001086737834 1203064468 /nfs/dbraw/zinc/06/44/68/1203064468.db2.gz YUPLJDAFRMXWEW-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1=O ZINC000820852148 1203194238 /nfs/dbraw/zinc/19/42/38/1203194238.db2.gz CXOAEEOQAYSLMM-CQSZACIVSA-N 2 2 359.430 0.243 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1=O ZINC000820852148 1203194239 /nfs/dbraw/zinc/19/42/39/1203194239.db2.gz CXOAEEOQAYSLMM-CQSZACIVSA-N 2 2 359.430 0.243 20 0 FCADLP C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000822977407 1203243216 /nfs/dbraw/zinc/24/32/16/1203243216.db2.gz SMUALNURYPHAKA-GXTWGEPZSA-N 2 2 356.430 0.985 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@H]4C[C@@]45CC[NH2+]C5)n3)cn2)CC1 ZINC000822973326 1203243457 /nfs/dbraw/zinc/24/34/57/1203243457.db2.gz UEIDMRVSLMFSTJ-AUUYWEPGSA-N 2 2 368.441 0.986 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4C[C@@]45CC[NH2+]C5)n3)cn2)CC1 ZINC000822973328 1203243528 /nfs/dbraw/zinc/24/35/28/1203243528.db2.gz UEIDMRVSLMFSTJ-IFXJQAMLSA-N 2 2 368.441 0.986 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001110107336 1203274128 /nfs/dbraw/zinc/27/41/28/1203274128.db2.gz DOQMDBHQSJURSI-LMSBXDPUSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001110107336 1203274132 /nfs/dbraw/zinc/27/41/32/1203274132.db2.gz DOQMDBHQSJURSI-LMSBXDPUSA-N 2 2 361.490 0.610 20 0 FCADLP Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107641 1203280841 /nfs/dbraw/zinc/28/08/41/1203280841.db2.gz QGOCOEQTBHPBSZ-NWGLXNPWSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107641 1203280849 /nfs/dbraw/zinc/28/08/49/1203280849.db2.gz QGOCOEQTBHPBSZ-NWGLXNPWSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001090788437 1203302007 /nfs/dbraw/zinc/30/20/07/1203302007.db2.gz RQZSJJPNEBHYTJ-KBRIMQKVSA-N 2 2 371.489 0.861 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001137034513 1203316565 /nfs/dbraw/zinc/31/65/65/1203316565.db2.gz QALOTMCSKKGLTK-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001137034513 1203316568 /nfs/dbraw/zinc/31/65/68/1203316568.db2.gz QALOTMCSKKGLTK-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001137034513 1203316570 /nfs/dbraw/zinc/31/65/70/1203316570.db2.gz QALOTMCSKKGLTK-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001137034513 1203316571 /nfs/dbraw/zinc/31/65/71/1203316571.db2.gz QALOTMCSKKGLTK-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]C[C@@H](C)O)cc1 ZINC001090885249 1203331708 /nfs/dbraw/zinc/33/17/08/1203331708.db2.gz XGVJKOHUQPBBOI-XOKHGSTOSA-N 2 2 358.442 0.926 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220186349 1224797575 /nfs/dbraw/zinc/79/75/75/1224797575.db2.gz OKKHXRPUFOPZMX-PPHDSNJXSA-N 2 2 364.396 0.457 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220186347 1224797619 /nfs/dbraw/zinc/79/76/19/1224797619.db2.gz OKKHXRPUFOPZMX-BNLOLNQZSA-N 2 2 364.396 0.457 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220197407 1224799686 /nfs/dbraw/zinc/79/96/86/1224799686.db2.gz BMJQTEFZIBHDFS-LAUBAEHRSA-N 2 2 370.497 0.693 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203885 1224802411 /nfs/dbraw/zinc/80/24/11/1224802411.db2.gz TUSUUHOEXNXKHR-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203885 1224802412 /nfs/dbraw/zinc/80/24/12/1224802412.db2.gz TUSUUHOEXNXKHR-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203885 1224802415 /nfs/dbraw/zinc/80/24/15/1224802415.db2.gz TUSUUHOEXNXKHR-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@H]2O)C1 ZINC001220203885 1224802416 /nfs/dbraw/zinc/80/24/16/1224802416.db2.gz TUSUUHOEXNXKHR-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@@H]1O ZINC001220272310 1224818239 /nfs/dbraw/zinc/81/82/39/1224818239.db2.gz XMNGPYDABGGQMB-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@@H]1O ZINC001220272310 1224818242 /nfs/dbraw/zinc/81/82/42/1224818242.db2.gz XMNGPYDABGGQMB-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@@H]1O ZINC001220272310 1224818244 /nfs/dbraw/zinc/81/82/44/1224818244.db2.gz XMNGPYDABGGQMB-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@@H]1O ZINC001220272310 1224818245 /nfs/dbraw/zinc/81/82/45/1224818245.db2.gz XMNGPYDABGGQMB-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1OC ZINC001090907639 1204383583 /nfs/dbraw/zinc/38/35/83/1204383583.db2.gz MYBAJAZDONBVEJ-ZIAGYGMSSA-N 2 2 361.450 0.025 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1OC ZINC001090907639 1204383588 /nfs/dbraw/zinc/38/35/88/1204383588.db2.gz MYBAJAZDONBVEJ-ZIAGYGMSSA-N 2 2 361.450 0.025 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(=O)OCc1ccccc1 ZINC001220315361 1224826452 /nfs/dbraw/zinc/82/64/52/1224826452.db2.gz BSWLOAFISRFYMA-FRQCXROJSA-N 2 2 361.442 0.475 20 0 FCADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001144132611 1204423475 /nfs/dbraw/zinc/42/34/75/1204423475.db2.gz YFLCYBFJZMSHHL-UHFFFAOYSA-N 2 2 367.457 0.959 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001091114666 1204512404 /nfs/dbraw/zinc/51/24/04/1204512404.db2.gz LAYWTASRHKGYMO-CVEARBPZSA-N 2 2 361.490 0.889 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@@H]1O)[NH+](CC)CC ZINC001220343248 1224835258 /nfs/dbraw/zinc/83/52/58/1224835258.db2.gz ZEVOPBLTAVRFKL-IKGGRYGDSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@@H]1O)[NH+](CC)CC ZINC001220343248 1224835261 /nfs/dbraw/zinc/83/52/61/1224835261.db2.gz ZEVOPBLTAVRFKL-IKGGRYGDSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220344824 1224836307 /nfs/dbraw/zinc/83/63/07/1224836307.db2.gz JMHMXIACKIUADK-IKGGRYGDSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220344824 1224836313 /nfs/dbraw/zinc/83/63/13/1224836313.db2.gz JMHMXIACKIUADK-IKGGRYGDSA-N 2 2 368.522 0.279 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@@H]1O)C2 ZINC001220355163 1224839963 /nfs/dbraw/zinc/83/99/63/1224839963.db2.gz FXJLFJDXDAQHNY-JQHSSLGASA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@@H]1O)C2 ZINC001220355163 1224839967 /nfs/dbraw/zinc/83/99/67/1224839967.db2.gz FXJLFJDXDAQHNY-JQHSSLGASA-N 2 2 362.474 0.342 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000846356594 1204619818 /nfs/dbraw/zinc/61/98/18/1204619818.db2.gz HRJOYERNROOIFO-MSOLQXFVSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000846356594 1204619819 /nfs/dbraw/zinc/61/98/19/1204619819.db2.gz HRJOYERNROOIFO-MSOLQXFVSA-N 2 2 358.486 0.569 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1O)C2 ZINC001220357706 1224842416 /nfs/dbraw/zinc/84/24/16/1224842416.db2.gz PNOKWOGTDHFFKW-JQHSSLGASA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O)C2 ZINC001220357706 1224842417 /nfs/dbraw/zinc/84/24/17/1224842417.db2.gz PNOKWOGTDHFFKW-JQHSSLGASA-N 2 2 364.490 0.588 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358016 1224842604 /nfs/dbraw/zinc/84/26/04/1224842604.db2.gz OGWKIQBPONOHOE-LTIDMASMSA-N 3 2 360.458 0.109 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359697 1224844172 /nfs/dbraw/zinc/84/41/72/1224844172.db2.gz UZOJFALLLSHDAV-ZACQAIPSSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359697 1224844178 /nfs/dbraw/zinc/84/41/78/1224844178.db2.gz UZOJFALLLSHDAV-ZACQAIPSSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359697 1224844182 /nfs/dbraw/zinc/84/41/82/1224844182.db2.gz UZOJFALLLSHDAV-ZACQAIPSSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]2O)C1 ZINC001220359697 1224844186 /nfs/dbraw/zinc/84/41/86/1224844186.db2.gz UZOJFALLLSHDAV-ZACQAIPSSA-N 2 2 369.506 0.075 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544382 1204709388 /nfs/dbraw/zinc/70/93/88/1204709388.db2.gz YJKFPOMFRXITTE-GLJUWKHASA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544382 1204709393 /nfs/dbraw/zinc/70/93/93/1204709393.db2.gz YJKFPOMFRXITTE-GLJUWKHASA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091544382 1204709396 /nfs/dbraw/zinc/70/93/96/1204709396.db2.gz YJKFPOMFRXITTE-GLJUWKHASA-N 2 2 362.478 0.510 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091544382 1204709402 /nfs/dbraw/zinc/70/94/02/1204709402.db2.gz YJKFPOMFRXITTE-GLJUWKHASA-N 2 2 362.478 0.510 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369581 1224846524 /nfs/dbraw/zinc/84/65/24/1224846524.db2.gz KORYUFNAYPLZAP-OAGGEKHMSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369581 1224846527 /nfs/dbraw/zinc/84/65/27/1224846527.db2.gz KORYUFNAYPLZAP-OAGGEKHMSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369581 1224846531 /nfs/dbraw/zinc/84/65/31/1224846531.db2.gz KORYUFNAYPLZAP-OAGGEKHMSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369581 1224846536 /nfs/dbraw/zinc/84/65/36/1224846536.db2.gz KORYUFNAYPLZAP-OAGGEKHMSA-N 2 2 370.538 0.383 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565784 1204727377 /nfs/dbraw/zinc/72/73/77/1204727377.db2.gz ZAFUFTRFFMEVOV-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565784 1204727381 /nfs/dbraw/zinc/72/73/81/1204727381.db2.gz ZAFUFTRFFMEVOV-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565784 1204727384 /nfs/dbraw/zinc/72/73/84/1204727384.db2.gz ZAFUFTRFFMEVOV-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565784 1204727386 /nfs/dbraw/zinc/72/73/86/1204727386.db2.gz ZAFUFTRFFMEVOV-SUMDDJOVSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c[nH]1 ZINC001146863793 1204744781 /nfs/dbraw/zinc/74/47/81/1204744781.db2.gz BZOHSXTTZGJPAG-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP Cc1nc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c[nH]1 ZINC001146863793 1204744783 /nfs/dbraw/zinc/74/47/83/1204744783.db2.gz BZOHSXTTZGJPAG-UHFFFAOYSA-N 2 2 362.478 0.029 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091635125 1204791218 /nfs/dbraw/zinc/79/12/18/1204791218.db2.gz GWQLXAAEBVYPNZ-LPMFXHHGSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091635125 1204791223 /nfs/dbraw/zinc/79/12/23/1204791223.db2.gz GWQLXAAEBVYPNZ-LPMFXHHGSA-N 2 2 359.474 0.790 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C(=O)NCC(F)F)c1 ZINC001273452885 1204850145 /nfs/dbraw/zinc/85/01/45/1204850145.db2.gz DUZSZWONCYBSFN-YNEHKIRRSA-N 2 2 369.416 0.295 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C(=O)NCC(F)F)c1 ZINC001273452885 1204850147 /nfs/dbraw/zinc/85/01/47/1204850147.db2.gz DUZSZWONCYBSFN-YNEHKIRRSA-N 2 2 369.416 0.295 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2[NH2+]CCF)cn1 ZINC001086984845 1204879488 /nfs/dbraw/zinc/87/94/88/1204879488.db2.gz HOQDDZZUKQOIGH-RRQGHBQHSA-N 2 2 360.437 0.733 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001087005451 1204892713 /nfs/dbraw/zinc/89/27/13/1204892713.db2.gz DBUIZKVRVHMMJT-AEGPPILISA-N 2 2 360.462 0.386 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087049405 1204925677 /nfs/dbraw/zinc/92/56/77/1204925677.db2.gz GETKQCFQZIWNHG-UKRRQHHQSA-N 2 2 362.434 0.687 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087066729 1204955039 /nfs/dbraw/zinc/95/50/39/1204955039.db2.gz RAHPNZFZWVDMKI-HUUCEWRRSA-N 2 2 361.450 0.271 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087066492 1204955115 /nfs/dbraw/zinc/95/51/15/1204955115.db2.gz DSMRSVZNXSKTDP-GDBMZVCRSA-N 2 2 362.434 0.536 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001087099022 1204994106 /nfs/dbraw/zinc/99/41/06/1204994106.db2.gz ZRVYPFPVMUBPCW-CZUORRHYSA-N 2 2 361.450 0.042 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087100115 1204995370 /nfs/dbraw/zinc/99/53/70/1204995370.db2.gz FFXQUKSFIHETTR-RRFJBIMHSA-N 2 2 365.478 0.537 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087100115 1204995382 /nfs/dbraw/zinc/99/53/82/1204995382.db2.gz FFXQUKSFIHETTR-RRFJBIMHSA-N 2 2 365.478 0.537 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087103754 1205001577 /nfs/dbraw/zinc/00/15/77/1205001577.db2.gz YOSTZQBWZONWHC-HZPDHXFCSA-N 2 2 358.446 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001087096935 1205004544 /nfs/dbraw/zinc/00/45/44/1205004544.db2.gz LSHORSYHSMHJPZ-UKRRQHHQSA-N 2 2 362.434 0.307 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC001087096881 1205004938 /nfs/dbraw/zinc/00/49/38/1205004938.db2.gz IZIDBNMJXGBDTJ-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795411 1205015493 /nfs/dbraw/zinc/01/54/93/1205015493.db2.gz WTOBKVLKUYCSMM-KHYOSLBOSA-N 2 2 369.473 0.555 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795411 1205015496 /nfs/dbraw/zinc/01/54/96/1205015496.db2.gz WTOBKVLKUYCSMM-KHYOSLBOSA-N 2 2 369.473 0.555 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782953 1205027486 /nfs/dbraw/zinc/02/74/86/1205027486.db2.gz NDTRQTOLAIKRPU-ZESCBINXSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782953 1205027489 /nfs/dbraw/zinc/02/74/89/1205027489.db2.gz NDTRQTOLAIKRPU-ZESCBINXSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782953 1205027492 /nfs/dbraw/zinc/02/74/92/1205027492.db2.gz NDTRQTOLAIKRPU-ZESCBINXSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782953 1205027495 /nfs/dbraw/zinc/02/74/95/1205027495.db2.gz NDTRQTOLAIKRPU-ZESCBINXSA-N 2 2 373.501 0.784 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860773 1205055191 /nfs/dbraw/zinc/05/51/91/1205055191.db2.gz HVTAAEJEEDYHSJ-KUHUBIRLSA-N 2 2 359.474 0.288 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@]2(C)C1 ZINC001091860773 1205055195 /nfs/dbraw/zinc/05/51/95/1205055195.db2.gz HVTAAEJEEDYHSJ-KUHUBIRLSA-N 2 2 359.474 0.288 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001092003235 1205100788 /nfs/dbraw/zinc/10/07/88/1205100788.db2.gz KBYBFSMNROUYJS-SXGZJXTBSA-N 2 2 371.485 0.842 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001092003235 1205100798 /nfs/dbraw/zinc/10/07/98/1205100798.db2.gz KBYBFSMNROUYJS-SXGZJXTBSA-N 2 2 371.485 0.842 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022408 1205120147 /nfs/dbraw/zinc/12/01/47/1205120147.db2.gz VOTDLHILMPOARD-XUWXXGDYSA-N 2 2 361.494 0.629 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022408 1205120149 /nfs/dbraw/zinc/12/01/49/1205120149.db2.gz VOTDLHILMPOARD-XUWXXGDYSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050236 1205124437 /nfs/dbraw/zinc/12/44/37/1205124437.db2.gz OQFQQIKUTLPAHE-OGWOLHLISA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050236 1205124446 /nfs/dbraw/zinc/12/44/46/1205124446.db2.gz OQFQQIKUTLPAHE-OGWOLHLISA-N 2 2 359.474 0.742 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442148 1224873429 /nfs/dbraw/zinc/87/34/29/1224873429.db2.gz YYIGGDQUKMYGPJ-OAGGEKHMSA-N 2 2 363.462 0.008 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCCN1CCCC1=O)C2 ZINC001092133353 1205176756 /nfs/dbraw/zinc/17/67/56/1205176756.db2.gz FZAYMKDNRDJEGN-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCCN1CCCC1=O)C2 ZINC001092133353 1205176760 /nfs/dbraw/zinc/17/67/60/1205176760.db2.gz FZAYMKDNRDJEGN-BEFAXECRSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442148 1224873428 /nfs/dbraw/zinc/87/34/28/1224873428.db2.gz YYIGGDQUKMYGPJ-OAGGEKHMSA-N 2 2 363.462 0.008 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198032 1205191346 /nfs/dbraw/zinc/19/13/46/1205191346.db2.gz CMIGSYYSMDVTRX-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198032 1205191350 /nfs/dbraw/zinc/19/13/50/1205191350.db2.gz CMIGSYYSMDVTRX-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198032 1205191353 /nfs/dbraw/zinc/19/13/53/1205191353.db2.gz CMIGSYYSMDVTRX-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198032 1205191356 /nfs/dbraw/zinc/19/13/56/1205191356.db2.gz CMIGSYYSMDVTRX-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092200098 1205196147 /nfs/dbraw/zinc/19/61/47/1205196147.db2.gz DNBPXMDILXUMGT-TYILLQQXSA-N 2 2 359.474 0.746 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092200098 1205196149 /nfs/dbraw/zinc/19/61/49/1205196149.db2.gz DNBPXMDILXUMGT-TYILLQQXSA-N 2 2 359.474 0.746 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092203522 1205197877 /nfs/dbraw/zinc/19/78/77/1205197877.db2.gz BHHWLACDFGYWPM-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001092203522 1205197882 /nfs/dbraw/zinc/19/78/82/1205197882.db2.gz BHHWLACDFGYWPM-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272531 1205219784 /nfs/dbraw/zinc/21/97/84/1205219784.db2.gz FMGQZRCPKMNGGK-RKVPGOIHSA-N 2 2 364.469 0.480 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272531 1205219787 /nfs/dbraw/zinc/21/97/87/1205219787.db2.gz FMGQZRCPKMNGGK-RKVPGOIHSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272531 1205219790 /nfs/dbraw/zinc/21/97/90/1205219790.db2.gz FMGQZRCPKMNGGK-RKVPGOIHSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4CCF)C[C@@]3(C)C2)C1 ZINC001092272531 1205219793 /nfs/dbraw/zinc/21/97/93/1205219793.db2.gz FMGQZRCPKMNGGK-RKVPGOIHSA-N 2 2 364.469 0.480 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300049 1205233580 /nfs/dbraw/zinc/23/35/80/1205233580.db2.gz QTSKMQLPXSQLGH-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300049 1205233585 /nfs/dbraw/zinc/23/35/85/1205233585.db2.gz QTSKMQLPXSQLGH-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1cc(F)ncn1 ZINC001092314523 1205244719 /nfs/dbraw/zinc/24/47/19/1205244719.db2.gz MMKOKLVBPFFJAW-CHWSQXEVSA-N 2 2 361.425 0.707 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092319320 1205247293 /nfs/dbraw/zinc/24/72/93/1205247293.db2.gz PCHPWMJEDJCSNL-MDZRGWNJSA-N 2 2 359.474 0.580 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001092319320 1205247295 /nfs/dbraw/zinc/24/72/95/1205247295.db2.gz PCHPWMJEDJCSNL-MDZRGWNJSA-N 2 2 359.474 0.580 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286985 1205251723 /nfs/dbraw/zinc/25/17/23/1205251723.db2.gz RAVAWDLAPWOMNW-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286985 1205251726 /nfs/dbraw/zinc/25/17/26/1205251726.db2.gz RAVAWDLAPWOMNW-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286985 1205251728 /nfs/dbraw/zinc/25/17/28/1205251728.db2.gz RAVAWDLAPWOMNW-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@@]3(C)C2)C1 ZINC001092286985 1205251731 /nfs/dbraw/zinc/25/17/31/1205251731.db2.gz RAVAWDLAPWOMNW-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286747 1205252871 /nfs/dbraw/zinc/25/28/71/1205252871.db2.gz KPBNLFABLYKEGV-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286747 1205252877 /nfs/dbraw/zinc/25/28/77/1205252877.db2.gz KPBNLFABLYKEGV-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286747 1205252878 /nfs/dbraw/zinc/25/28/78/1205252878.db2.gz KPBNLFABLYKEGV-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286747 1205252886 /nfs/dbraw/zinc/25/28/86/1205252886.db2.gz KPBNLFABLYKEGV-SUMDDJOVSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292027 1205255124 /nfs/dbraw/zinc/25/51/24/1205255124.db2.gz OEADPEXRIOJZFX-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292027 1205255131 /nfs/dbraw/zinc/25/51/31/1205255131.db2.gz OEADPEXRIOJZFX-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292027 1205255138 /nfs/dbraw/zinc/25/51/38/1205255138.db2.gz OEADPEXRIOJZFX-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@@]3(C)C2)C1 ZINC001092292027 1205255144 /nfs/dbraw/zinc/25/51/44/1205255144.db2.gz OEADPEXRIOJZFX-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C)[NH+](C)C ZINC001092860353 1205937687 /nfs/dbraw/zinc/93/76/87/1205937687.db2.gz AZMBGZSZUWMLIB-BEAPCOKYSA-N 2 2 357.462 0.929 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@H+](C)CC2 ZINC001092908179 1205940265 /nfs/dbraw/zinc/94/02/65/1205940265.db2.gz HZXLZTQSPWWXHQ-COXVUDFISA-N 2 2 358.490 0.642 20 0 FCADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@@H+](C)CC2 ZINC001092908179 1205940268 /nfs/dbraw/zinc/94/02/68/1205940268.db2.gz HZXLZTQSPWWXHQ-COXVUDFISA-N 2 2 358.490 0.642 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001092957894 1205956559 /nfs/dbraw/zinc/95/65/59/1205956559.db2.gz CRMSHJOINWSIHP-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001092957894 1205956563 /nfs/dbraw/zinc/95/65/63/1205956563.db2.gz CRMSHJOINWSIHP-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001092958469 1205956654 /nfs/dbraw/zinc/95/66/54/1205956654.db2.gz ZTNYQGOZSIDNQG-RBSFLKMASA-N 2 2 359.474 0.746 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001092958469 1205956657 /nfs/dbraw/zinc/95/66/57/1205956657.db2.gz ZTNYQGOZSIDNQG-RBSFLKMASA-N 2 2 359.474 0.746 20 0 FCADLP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553158 1224924177 /nfs/dbraw/zinc/92/41/77/1224924177.db2.gz ASPIIZBBWPEHRA-QGTPRVQTSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553158 1224924186 /nfs/dbraw/zinc/92/41/86/1224924186.db2.gz ASPIIZBBWPEHRA-QGTPRVQTSA-N 2 2 365.449 0.770 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220553851 1224925752 /nfs/dbraw/zinc/92/57/52/1224925752.db2.gz TXQDEWRHIYJKLK-MOPGFXCFSA-N 2 2 361.486 0.633 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220553851 1224925757 /nfs/dbraw/zinc/92/57/57/1224925757.db2.gz TXQDEWRHIYJKLK-MOPGFXCFSA-N 2 2 361.486 0.633 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2[nH+]ccn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454460 1206087816 /nfs/dbraw/zinc/08/78/16/1206087816.db2.gz FJRLQSBONBKJIM-OHDICMOHSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001093691399 1206101008 /nfs/dbraw/zinc/10/10/08/1206101008.db2.gz TXROXAQBQIIWRS-BPLDGKMQSA-N 2 2 363.462 0.462 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001093691399 1206101011 /nfs/dbraw/zinc/10/10/11/1206101011.db2.gz TXROXAQBQIIWRS-BPLDGKMQSA-N 2 2 363.462 0.462 20 0 FCADLP CC(C)n1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691333 1206101335 /nfs/dbraw/zinc/10/13/35/1206101335.db2.gz RUDVCWWIURRGTO-JFIYKMOQSA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691333 1206101337 /nfs/dbraw/zinc/10/13/37/1206101337.db2.gz RUDVCWWIURRGTO-JFIYKMOQSA-N 2 2 363.506 0.979 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)n1C ZINC001093813382 1206133944 /nfs/dbraw/zinc/13/39/44/1206133944.db2.gz GOADNZPGFLDNHM-ZIAGYGMSSA-N 2 2 359.478 0.918 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093870810 1206138338 /nfs/dbraw/zinc/13/83/38/1206138338.db2.gz ADQPMJRXYFUSOB-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001093871261 1206138632 /nfs/dbraw/zinc/13/86/32/1206138632.db2.gz HZRDRGZCXWTLAC-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001093872734 1206138901 /nfs/dbraw/zinc/13/89/01/1206138901.db2.gz APKBNBVTPRWOLT-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001093874267 1206140316 /nfs/dbraw/zinc/14/03/16/1206140316.db2.gz ZSFFDQOUWAGTFF-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093874048 1206140345 /nfs/dbraw/zinc/14/03/45/1206140345.db2.gz VZAQYRLQXAFHCC-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093879296 1206141402 /nfs/dbraw/zinc/14/14/02/1206141402.db2.gz TWKURDNFFHJOFU-CHWSQXEVSA-N 2 2 361.450 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001093950520 1206157343 /nfs/dbraw/zinc/15/73/43/1206157343.db2.gz ZYZDHGAYJKXPIQ-NVXWUHKLSA-N 2 2 357.458 0.856 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001093992614 1206165349 /nfs/dbraw/zinc/16/53/49/1206165349.db2.gz XWSRIEDQYVHYJA-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001093992614 1206165352 /nfs/dbraw/zinc/16/53/52/1206165352.db2.gz XWSRIEDQYVHYJA-FVQBIDKESA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094165833 1206197837 /nfs/dbraw/zinc/19/78/37/1206197837.db2.gz AYHOAUBDIPORKC-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094224566 1206203155 /nfs/dbraw/zinc/20/31/55/1206203155.db2.gz RLXYWCVGCLQACE-IIAWOOMASA-N 2 2 365.478 0.530 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC001094189606 1206205136 /nfs/dbraw/zinc/20/51/36/1206205136.db2.gz CYMBAZODZWAVGV-BMFZPTHFSA-N 2 2 361.490 0.954 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110156810 1206224289 /nfs/dbraw/zinc/22/42/89/1206224289.db2.gz AVCBMYUZYPUSLM-YVSFHVDLSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110156810 1206224290 /nfs/dbraw/zinc/22/42/90/1206224290.db2.gz AVCBMYUZYPUSLM-YVSFHVDLSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110156810 1206224292 /nfs/dbraw/zinc/22/42/92/1206224292.db2.gz AVCBMYUZYPUSLM-YVSFHVDLSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110156810 1206224293 /nfs/dbraw/zinc/22/42/93/1206224293.db2.gz AVCBMYUZYPUSLM-YVSFHVDLSA-N 2 2 366.506 0.201 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@]13CCC[C@H]1[N@H+](CC(N)=O)CC3)C2 ZINC001094450735 1206228041 /nfs/dbraw/zinc/22/80/41/1206228041.db2.gz HQFJIUOMGLFEJS-URKNILKWSA-N 2 2 359.474 0.669 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@]13CCC[C@H]1[N@@H+](CC(N)=O)CC3)C2 ZINC001094450735 1206228043 /nfs/dbraw/zinc/22/80/43/1206228043.db2.gz HQFJIUOMGLFEJS-URKNILKWSA-N 2 2 359.474 0.669 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159187 1206240224 /nfs/dbraw/zinc/24/02/24/1206240224.db2.gz CUGBKZYRYHJSTQ-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159187 1206240226 /nfs/dbraw/zinc/24/02/26/1206240226.db2.gz CUGBKZYRYHJSTQ-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159187 1206240230 /nfs/dbraw/zinc/24/02/30/1206240230.db2.gz CUGBKZYRYHJSTQ-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159187 1206240234 /nfs/dbraw/zinc/24/02/34/1206240234.db2.gz CUGBKZYRYHJSTQ-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnon2)CC3)C1 ZINC001094583340 1206241101 /nfs/dbraw/zinc/24/11/01/1206241101.db2.gz QZRINBCXHFAHQG-LZLYRXPVSA-N 2 2 363.462 0.651 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnon2)CC3)C1 ZINC001094583340 1206241106 /nfs/dbraw/zinc/24/11/06/1206241106.db2.gz QZRINBCXHFAHQG-LZLYRXPVSA-N 2 2 363.462 0.651 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnon2)CC3)C1 ZINC001094583340 1206241110 /nfs/dbraw/zinc/24/11/10/1206241110.db2.gz QZRINBCXHFAHQG-LZLYRXPVSA-N 2 2 363.462 0.651 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2cnon2)CC3)C1 ZINC001094583340 1206241114 /nfs/dbraw/zinc/24/11/14/1206241114.db2.gz QZRINBCXHFAHQG-LZLYRXPVSA-N 2 2 363.462 0.651 20 0 FCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137284 1206257527 /nfs/dbraw/zinc/25/75/27/1206257527.db2.gz UZAXRFRAWNYCAI-RAFMOHDBSA-N 2 2 367.534 0.909 20 0 FCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137284 1206257530 /nfs/dbraw/zinc/25/75/30/1206257530.db2.gz UZAXRFRAWNYCAI-RAFMOHDBSA-N 2 2 367.534 0.909 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137284 1206257531 /nfs/dbraw/zinc/25/75/31/1206257531.db2.gz UZAXRFRAWNYCAI-RAFMOHDBSA-N 2 2 367.534 0.909 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C3C[C@@H]4COC[C@H](C3)N4C)C2)C1 ZINC001172137284 1206257534 /nfs/dbraw/zinc/25/75/34/1206257534.db2.gz UZAXRFRAWNYCAI-RAFMOHDBSA-N 2 2 367.534 0.909 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)n1 ZINC001095266923 1206290930 /nfs/dbraw/zinc/29/09/30/1206290930.db2.gz MOYZZMIRMZTLAI-UGUYLWEFSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001095266923 1206290931 /nfs/dbraw/zinc/29/09/31/1206290931.db2.gz MOYZZMIRMZTLAI-UGUYLWEFSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001095266923 1206290935 /nfs/dbraw/zinc/29/09/35/1206290935.db2.gz MOYZZMIRMZTLAI-UGUYLWEFSA-N 2 2 363.462 0.363 20 0 FCADLP Cc1noc(CCC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001095266923 1206290938 /nfs/dbraw/zinc/29/09/38/1206290938.db2.gz MOYZZMIRMZTLAI-UGUYLWEFSA-N 2 2 363.462 0.363 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220574949 1224941741 /nfs/dbraw/zinc/94/17/41/1224941741.db2.gz LONYZTIQRYDPBX-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220574949 1224941749 /nfs/dbraw/zinc/94/17/49/1224941749.db2.gz LONYZTIQRYDPBX-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CCOC(=O)CC1([NH3+])CCN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)CC1 ZINC001175104496 1206299531 /nfs/dbraw/zinc/29/95/31/1206299531.db2.gz INMHQNQWKVIPTG-UHFFFAOYSA-N 2 2 363.462 0.605 20 0 FCADLP CCOC(=O)CC1([NH3+])CCN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)CC1 ZINC001175104496 1206299534 /nfs/dbraw/zinc/29/95/34/1206299534.db2.gz INMHQNQWKVIPTG-UHFFFAOYSA-N 2 2 363.462 0.605 20 0 FCADLP C[C@@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357706 1206304014 /nfs/dbraw/zinc/30/40/14/1206304014.db2.gz ICQFWURXOQVQTE-BFHYXJOUSA-N 2 2 360.466 0.512 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001178692886 1206362911 /nfs/dbraw/zinc/36/29/11/1206362911.db2.gz USMZBDCJDNYKTN-INIZCTEOSA-N 2 2 370.457 0.705 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001178692886 1206362913 /nfs/dbraw/zinc/36/29/13/1206362913.db2.gz USMZBDCJDNYKTN-INIZCTEOSA-N 2 2 370.457 0.705 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581781 1206396033 /nfs/dbraw/zinc/39/60/33/1206396033.db2.gz ZSVDMPVVPWWUSN-VQIMIIECSA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581781 1206396035 /nfs/dbraw/zinc/39/60/35/1206396035.db2.gz ZSVDMPVVPWWUSN-VQIMIIECSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C1 ZINC001180756861 1206398204 /nfs/dbraw/zinc/39/82/04/1206398204.db2.gz AYQVBLNTVIYWHJ-LHHMISFZSA-N 2 2 360.458 0.512 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C1 ZINC001180756861 1206398206 /nfs/dbraw/zinc/39/82/06/1206398206.db2.gz AYQVBLNTVIYWHJ-LHHMISFZSA-N 2 2 360.458 0.512 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760772 1206399433 /nfs/dbraw/zinc/39/94/33/1206399433.db2.gz VFYUPADNKILOLJ-NJAFHUGGSA-N 2 2 363.433 0.820 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760772 1206399435 /nfs/dbraw/zinc/39/94/35/1206399435.db2.gz VFYUPADNKILOLJ-NJAFHUGGSA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760772 1206399437 /nfs/dbraw/zinc/39/94/37/1206399437.db2.gz VFYUPADNKILOLJ-NJAFHUGGSA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001180760772 1206399439 /nfs/dbraw/zinc/39/94/39/1206399439.db2.gz VFYUPADNKILOLJ-NJAFHUGGSA-N 2 2 363.433 0.820 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001181980525 1206418097 /nfs/dbraw/zinc/41/80/97/1206418097.db2.gz ZYNQTVAZUDMSQT-HNNXBMFYSA-N 2 2 357.462 0.986 20 0 FCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001181980525 1206418098 /nfs/dbraw/zinc/41/80/98/1206418098.db2.gz ZYNQTVAZUDMSQT-HNNXBMFYSA-N 2 2 357.462 0.986 20 0 FCADLP CCCC[N@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccccc1 ZINC001182236350 1206424690 /nfs/dbraw/zinc/42/46/90/1206424690.db2.gz LOOMKUATFPMUQH-VSZNYVQBSA-N 2 2 360.506 0.369 20 0 FCADLP CCCC[N@@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccccc1 ZINC001182236350 1206424691 /nfs/dbraw/zinc/42/46/91/1206424691.db2.gz LOOMKUATFPMUQH-VSZNYVQBSA-N 2 2 360.506 0.369 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182838938 1206444789 /nfs/dbraw/zinc/44/47/89/1206444789.db2.gz WIDMQRURAREPMM-GJYPPUQNSA-N 2 2 367.490 0.724 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182838938 1206444791 /nfs/dbraw/zinc/44/47/91/1206444791.db2.gz WIDMQRURAREPMM-GJYPPUQNSA-N 2 2 367.490 0.724 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183372951 1206453129 /nfs/dbraw/zinc/45/31/29/1206453129.db2.gz LDCXLEBTENVFJG-JEWRLFTDSA-N 2 2 367.490 0.582 20 0 FCADLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001186054956 1206492566 /nfs/dbraw/zinc/49/25/66/1206492566.db2.gz JVUVCUYDMMMTOM-IDMDMSBLSA-N 2 2 374.485 0.776 20 0 FCADLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC001186054956 1206492567 /nfs/dbraw/zinc/49/25/67/1206492567.db2.gz JVUVCUYDMMMTOM-IDMDMSBLSA-N 2 2 374.485 0.776 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC(=O)C(C)(C)C)CC2)C1 ZINC001186116207 1206493899 /nfs/dbraw/zinc/49/38/99/1206493899.db2.gz BQFIQVYPQBRPDW-AWEZNQCLSA-N 2 2 367.490 0.677 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC(=O)C(C)(C)C)CC2)C1 ZINC001186116207 1206493901 /nfs/dbraw/zinc/49/39/01/1206493901.db2.gz BQFIQVYPQBRPDW-AWEZNQCLSA-N 2 2 367.490 0.677 20 0 FCADLP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000775049394 1206505662 /nfs/dbraw/zinc/50/56/62/1206505662.db2.gz XZTIBRIYINZIMH-OAHLLOKOSA-N 2 2 370.494 0.424 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220651267 1224990394 /nfs/dbraw/zinc/99/03/94/1224990394.db2.gz IJEPYFJHXZGDRZ-RBUKOAKNSA-N 3 2 371.529 0.786 20 0 FCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220651267 1224990405 /nfs/dbraw/zinc/99/04/05/1224990405.db2.gz IJEPYFJHXZGDRZ-RBUKOAKNSA-N 3 2 371.529 0.786 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001273543324 1207374010 /nfs/dbraw/zinc/37/40/10/1207374010.db2.gz DGHUECCMAQWZQI-IFXJQAMLSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001188568464 1207464291 /nfs/dbraw/zinc/46/42/91/1207464291.db2.gz NDHZVBKSCRKKPX-IXDOHACOSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001188568464 1207464294 /nfs/dbraw/zinc/46/42/94/1207464294.db2.gz NDHZVBKSCRKKPX-IXDOHACOSA-N 2 2 361.490 0.885 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127593 1207509755 /nfs/dbraw/zinc/50/97/55/1207509755.db2.gz YIKRUNKAXKROMT-RYQLBKOJSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127593 1207509764 /nfs/dbraw/zinc/50/97/64/1207509764.db2.gz YIKRUNKAXKROMT-RYQLBKOJSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127593 1207509772 /nfs/dbraw/zinc/50/97/72/1207509772.db2.gz YIKRUNKAXKROMT-RYQLBKOJSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)C1 ZINC001189127593 1207509779 /nfs/dbraw/zinc/50/97/79/1207509779.db2.gz YIKRUNKAXKROMT-RYQLBKOJSA-N 2 2 362.518 0.777 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCCCCn3cncn3)C[C@H]21 ZINC001189246527 1207524515 /nfs/dbraw/zinc/52/45/15/1207524515.db2.gz RBHWSYGQMWVDNH-DOTOQJQBSA-N 2 2 357.462 0.947 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCCCCn3cncn3)C[C@H]21 ZINC001189246527 1207524522 /nfs/dbraw/zinc/52/45/22/1207524522.db2.gz RBHWSYGQMWVDNH-DOTOQJQBSA-N 2 2 357.462 0.947 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001189522917 1207558401 /nfs/dbraw/zinc/55/84/01/1207558401.db2.gz RLDCPJDTNJKNST-ZWKOTPCHSA-N 2 2 362.518 0.777 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001189522917 1207558404 /nfs/dbraw/zinc/55/84/04/1207558404.db2.gz RLDCPJDTNJKNST-ZWKOTPCHSA-N 2 2 362.518 0.777 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220674015 1225007712 /nfs/dbraw/zinc/00/77/12/1225007712.db2.gz GTOZETVLXMPOQJ-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220674015 1225007722 /nfs/dbraw/zinc/00/77/22/1225007722.db2.gz GTOZETVLXMPOQJ-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189922886 1207621853 /nfs/dbraw/zinc/62/18/53/1207621853.db2.gz FSYRWAOCPNYTRG-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189922886 1207621862 /nfs/dbraw/zinc/62/18/62/1207621862.db2.gz FSYRWAOCPNYTRG-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189922886 1207621866 /nfs/dbraw/zinc/62/18/66/1207621866.db2.gz FSYRWAOCPNYTRG-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178586 1207659415 /nfs/dbraw/zinc/65/94/15/1207659415.db2.gz YUNFNQYYIWDPET-HYVNUMGLSA-N 2 2 361.490 0.981 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178586 1207659418 /nfs/dbraw/zinc/65/94/18/1207659418.db2.gz YUNFNQYYIWDPET-HYVNUMGLSA-N 2 2 361.490 0.981 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)nc1=O ZINC001190324197 1207675982 /nfs/dbraw/zinc/67/59/82/1207675982.db2.gz IHXYXMKPYXJOBA-LSDHHAIUSA-N 2 2 362.478 0.017 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCN(C(=O)CCC[NH+]4CCCC4)[C@@H]3C2)nc1=O ZINC001190324197 1207675985 /nfs/dbraw/zinc/67/59/85/1207675985.db2.gz IHXYXMKPYXJOBA-LSDHHAIUSA-N 2 2 362.478 0.017 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486670 1207688568 /nfs/dbraw/zinc/68/85/68/1207688568.db2.gz JVRZNZALWQPQFT-ZWKOTPCHSA-N 2 2 358.486 0.739 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486670 1207688573 /nfs/dbraw/zinc/68/85/73/1207688573.db2.gz JVRZNZALWQPQFT-ZWKOTPCHSA-N 2 2 358.486 0.739 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486670 1207688576 /nfs/dbraw/zinc/68/85/76/1207688576.db2.gz JVRZNZALWQPQFT-ZWKOTPCHSA-N 2 2 358.486 0.739 20 0 FCADLP CN(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190486670 1207688580 /nfs/dbraw/zinc/68/85/80/1207688580.db2.gz JVRZNZALWQPQFT-ZWKOTPCHSA-N 2 2 358.486 0.739 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001192580424 1207838513 /nfs/dbraw/zinc/83/85/13/1207838513.db2.gz FDISPOPCKSQNLQ-IAGOWNOFSA-N 2 2 358.442 0.973 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001192580424 1207838514 /nfs/dbraw/zinc/83/85/14/1207838514.db2.gz FDISPOPCKSQNLQ-IAGOWNOFSA-N 2 2 358.442 0.973 20 0 FCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192633123 1207841309 /nfs/dbraw/zinc/84/13/09/1207841309.db2.gz QVTJPIXAZKCXNJ-HZPDHXFCSA-N 2 2 371.441 0.063 20 0 FCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192633123 1207841312 /nfs/dbraw/zinc/84/13/12/1207841312.db2.gz QVTJPIXAZKCXNJ-HZPDHXFCSA-N 2 2 371.441 0.063 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193056788 1207857901 /nfs/dbraw/zinc/85/79/01/1207857901.db2.gz JRHPNJFNYUTENX-QBPKDAKJSA-N 2 2 362.474 0.352 20 0 FCADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001193056788 1207857905 /nfs/dbraw/zinc/85/79/05/1207857905.db2.gz JRHPNJFNYUTENX-QBPKDAKJSA-N 2 2 362.474 0.352 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193131198 1207860828 /nfs/dbraw/zinc/86/08/28/1207860828.db2.gz PVYAAWMGNTUPJR-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193131198 1207860829 /nfs/dbraw/zinc/86/08/29/1207860829.db2.gz PVYAAWMGNTUPJR-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001193131198 1207860831 /nfs/dbraw/zinc/86/08/31/1207860831.db2.gz PVYAAWMGNTUPJR-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001193131198 1207860834 /nfs/dbraw/zinc/86/08/34/1207860834.db2.gz PVYAAWMGNTUPJR-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1)C(C)C ZINC001193781891 1207888960 /nfs/dbraw/zinc/88/89/60/1207888960.db2.gz QQAWDVSCDMNNHD-NUJGCVRESA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1)C(C)C ZINC001193781891 1207888961 /nfs/dbraw/zinc/88/89/61/1207888961.db2.gz QQAWDVSCDMNNHD-NUJGCVRESA-N 2 2 368.522 0.133 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001193757316 1207890500 /nfs/dbraw/zinc/89/05/00/1207890500.db2.gz YVQFZFNCSAFDOJ-CEXWTWQISA-N 2 2 371.485 0.217 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001193757316 1207890501 /nfs/dbraw/zinc/89/05/01/1207890501.db2.gz YVQFZFNCSAFDOJ-CEXWTWQISA-N 2 2 371.485 0.217 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)CCC1 ZINC001193766805 1207890940 /nfs/dbraw/zinc/89/09/40/1207890940.db2.gz XVQHVFOGGXHJQQ-RBSFLKMASA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)CCC1 ZINC001193766805 1207890941 /nfs/dbraw/zinc/89/09/41/1207890941.db2.gz XVQHVFOGGXHJQQ-RBSFLKMASA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CCC1 ZINC001193766102 1207891040 /nfs/dbraw/zinc/89/10/40/1207891040.db2.gz OSIRJDMPQLCLSE-IAGOWNOFSA-N 2 2 365.449 0.464 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CCC1 ZINC001193766102 1207891041 /nfs/dbraw/zinc/89/10/41/1207891041.db2.gz OSIRJDMPQLCLSE-IAGOWNOFSA-N 2 2 365.449 0.464 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828452 1207892466 /nfs/dbraw/zinc/89/24/66/1207892466.db2.gz QOGZKHAQQVWRMU-QZTJIDSGSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193828452 1207892469 /nfs/dbraw/zinc/89/24/69/1207892469.db2.gz QOGZKHAQQVWRMU-QZTJIDSGSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193828452 1207892470 /nfs/dbraw/zinc/89/24/70/1207892470.db2.gz QOGZKHAQQVWRMU-QZTJIDSGSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193828452 1207892471 /nfs/dbraw/zinc/89/24/71/1207892471.db2.gz QOGZKHAQQVWRMU-QZTJIDSGSA-N 2 2 363.506 0.918 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001193892951 1207897577 /nfs/dbraw/zinc/89/75/77/1207897577.db2.gz WYOSWQPGGFVTKW-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001193892951 1207897578 /nfs/dbraw/zinc/89/75/78/1207897578.db2.gz WYOSWQPGGFVTKW-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001193892951 1207897580 /nfs/dbraw/zinc/89/75/80/1207897580.db2.gz WYOSWQPGGFVTKW-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC001193892951 1207897581 /nfs/dbraw/zinc/89/75/81/1207897581.db2.gz WYOSWQPGGFVTKW-GVDBMIGSSA-N 2 2 362.474 0.626 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298309 1207929396 /nfs/dbraw/zinc/92/93/96/1207929396.db2.gz DESTZJHHCVAGGQ-FVQBIDKESA-N 2 2 368.522 0.277 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298309 1207929397 /nfs/dbraw/zinc/92/93/97/1207929397.db2.gz DESTZJHHCVAGGQ-FVQBIDKESA-N 2 2 368.522 0.277 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194298309 1207929398 /nfs/dbraw/zinc/92/93/98/1207929398.db2.gz DESTZJHHCVAGGQ-FVQBIDKESA-N 2 2 368.522 0.277 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194298309 1207929400 /nfs/dbraw/zinc/92/94/00/1207929400.db2.gz DESTZJHHCVAGGQ-FVQBIDKESA-N 2 2 368.522 0.277 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)ncn1 ZINC001194290443 1207935516 /nfs/dbraw/zinc/93/55/16/1207935516.db2.gz XRTDLDIWBSVDNM-QZTJIDSGSA-N 2 2 370.457 0.368 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCN(C)c3cc[nH+]cc3)C2)ncn1 ZINC001194290443 1207935519 /nfs/dbraw/zinc/93/55/19/1207935519.db2.gz XRTDLDIWBSVDNM-QZTJIDSGSA-N 2 2 370.457 0.368 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)C1=O ZINC001194996363 1207987889 /nfs/dbraw/zinc/98/78/89/1207987889.db2.gz ARCMPPJYHMVNOM-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)C1=O ZINC001194996363 1207987892 /nfs/dbraw/zinc/98/78/92/1207987892.db2.gz ARCMPPJYHMVNOM-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1=O ZINC001194996363 1207987894 /nfs/dbraw/zinc/98/78/94/1207987894.db2.gz ARCMPPJYHMVNOM-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C2)C1=O ZINC001194996363 1207987896 /nfs/dbraw/zinc/98/78/96/1207987896.db2.gz ARCMPPJYHMVNOM-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)c1ccccc1 ZINC001195149742 1208004653 /nfs/dbraw/zinc/00/46/53/1208004653.db2.gz XCRJQKAYCQIDEU-KURKYZTESA-N 2 2 358.442 0.822 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)c1ccccc1 ZINC001195149742 1208004656 /nfs/dbraw/zinc/00/46/56/1208004656.db2.gz XCRJQKAYCQIDEU-KURKYZTESA-N 2 2 358.442 0.822 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@H]1O)CC2 ZINC001195640828 1208031139 /nfs/dbraw/zinc/03/11/39/1208031139.db2.gz QGQAZYOUQYJUTI-CGTJXYLNSA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@H]1O)CC2 ZINC001195640828 1208031140 /nfs/dbraw/zinc/03/11/40/1208031140.db2.gz QGQAZYOUQYJUTI-CGTJXYLNSA-N 2 2 362.474 0.342 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677828 1208033007 /nfs/dbraw/zinc/03/30/07/1208033007.db2.gz UXDAUHVYUOXBOB-FVQBIDKESA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677828 1208033012 /nfs/dbraw/zinc/03/30/12/1208033012.db2.gz UXDAUHVYUOXBOB-FVQBIDKESA-N 2 2 368.522 0.183 20 0 FCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869449 1208045162 /nfs/dbraw/zinc/04/51/62/1208045162.db2.gz DEPWACQXPBKWBW-USXIJHARSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869449 1208045165 /nfs/dbraw/zinc/04/51/65/1208045165.db2.gz DEPWACQXPBKWBW-USXIJHARSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196184820 1208064536 /nfs/dbraw/zinc/06/45/36/1208064536.db2.gz ILPVOLKLPWMUPE-IAGOWNOFSA-N 2 2 366.462 0.470 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196184820 1208064537 /nfs/dbraw/zinc/06/45/37/1208064537.db2.gz ILPVOLKLPWMUPE-IAGOWNOFSA-N 2 2 366.462 0.470 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001196645888 1208096770 /nfs/dbraw/zinc/09/67/70/1208096770.db2.gz VJTDJKUQEFWTCZ-IAGOWNOFSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001196645888 1208096773 /nfs/dbraw/zinc/09/67/73/1208096773.db2.gz VJTDJKUQEFWTCZ-IAGOWNOFSA-N 2 2 364.490 0.985 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001196919998 1208117829 /nfs/dbraw/zinc/11/78/29/1208117829.db2.gz QASYVGQQZDPLMQ-IAGOWNOFSA-N 2 2 358.446 0.432 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001196919998 1208117833 /nfs/dbraw/zinc/11/78/33/1208117833.db2.gz QASYVGQQZDPLMQ-IAGOWNOFSA-N 2 2 358.446 0.432 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919288 1208117891 /nfs/dbraw/zinc/11/78/91/1208117891.db2.gz JYNLSQDGVFXSCD-NUEKZKHPSA-N 2 2 365.478 0.048 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919288 1208117896 /nfs/dbraw/zinc/11/78/96/1208117896.db2.gz JYNLSQDGVFXSCD-NUEKZKHPSA-N 2 2 365.478 0.048 20 0 FCADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196939022 1208123112 /nfs/dbraw/zinc/12/31/12/1208123112.db2.gz BYHJAYCBACJOQQ-QZTJIDSGSA-N 2 2 365.449 0.518 20 0 FCADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196939022 1208123118 /nfs/dbraw/zinc/12/31/18/1208123118.db2.gz BYHJAYCBACJOQQ-QZTJIDSGSA-N 2 2 365.449 0.518 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000896 1208128050 /nfs/dbraw/zinc/12/80/50/1208128050.db2.gz NSRWMNFWQYRGHD-IXDOHACOSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000896 1208128053 /nfs/dbraw/zinc/12/80/53/1208128053.db2.gz NSRWMNFWQYRGHD-IXDOHACOSA-N 2 2 370.538 0.704 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](CCCC)C(N)=O)C[C@H]1O ZINC001197000896 1208128058 /nfs/dbraw/zinc/12/80/58/1208128058.db2.gz NSRWMNFWQYRGHD-IXDOHACOSA-N 2 2 370.538 0.704 20 0 FCADLP COc1ccc(CC[NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)cc1 ZINC001220743889 1225048468 /nfs/dbraw/zinc/04/84/68/1225048468.db2.gz UMKSBQUDWNJKSH-UTKZUKDTSA-N 3 2 372.513 0.770 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001197792000 1208196630 /nfs/dbraw/zinc/19/66/30/1208196630.db2.gz IDBYTQYYUQXTPI-QZTJIDSGSA-N 2 2 358.442 0.593 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001197792000 1208196635 /nfs/dbraw/zinc/19/66/35/1208196635.db2.gz IDBYTQYYUQXTPI-QZTJIDSGSA-N 2 2 358.442 0.593 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001197948968 1208208670 /nfs/dbraw/zinc/20/86/70/1208208670.db2.gz OUXMFGFFXUZYFN-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001197948968 1208208671 /nfs/dbraw/zinc/20/86/71/1208208671.db2.gz OUXMFGFFXUZYFN-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001198151691 1208224258 /nfs/dbraw/zinc/22/42/58/1208224258.db2.gz PZKXMMDVXKAETD-QZTJIDSGSA-N 2 2 358.442 0.891 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001110511652 1208261786 /nfs/dbraw/zinc/26/17/86/1208261786.db2.gz NJCJVVQFYZQMDL-TUVASFSCSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001110511652 1208261789 /nfs/dbraw/zinc/26/17/89/1208261789.db2.gz NJCJVVQFYZQMDL-TUVASFSCSA-N 2 2 355.446 0.843 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)C(C)C ZINC001198671574 1208281526 /nfs/dbraw/zinc/28/15/26/1208281526.db2.gz FVTDWRNGMWIXSS-GVDBMIGSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)C(C)C ZINC001198671574 1208281528 /nfs/dbraw/zinc/28/15/28/1208281528.db2.gz FVTDWRNGMWIXSS-GVDBMIGSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199065186 1208315107 /nfs/dbraw/zinc/31/51/07/1208315107.db2.gz XGUFHGNTGHNHHW-GVDBMIGSSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199065186 1208315112 /nfs/dbraw/zinc/31/51/12/1208315112.db2.gz XGUFHGNTGHNHHW-GVDBMIGSSA-N 2 2 368.522 0.184 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001199398525 1208348760 /nfs/dbraw/zinc/34/87/60/1208348760.db2.gz UBIAVKJURYJDMT-GVDBMIGSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1O ZINC001199406252 1208349856 /nfs/dbraw/zinc/34/98/56/1208349856.db2.gz QWEHPHLAYDVQDE-QZTJIDSGSA-N 2 2 358.442 0.904 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220769037 1225062125 /nfs/dbraw/zinc/06/21/25/1225062125.db2.gz HDRULSNFVPOJIM-DHSIGJKJSA-N 2 2 364.446 0.169 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001220768455 1225062720 /nfs/dbraw/zinc/06/27/20/1225062720.db2.gz MPSPCXZHGHQTBG-SJORKVTESA-N 2 2 371.428 0.247 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001220768455 1225062726 /nfs/dbraw/zinc/06/27/26/1225062726.db2.gz MPSPCXZHGHQTBG-SJORKVTESA-N 2 2 371.428 0.247 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001110569511 1208462875 /nfs/dbraw/zinc/46/28/75/1208462875.db2.gz QEITVEQEJREJJY-MKXGPGLRSA-N 2 2 374.529 0.966 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001110569511 1208462878 /nfs/dbraw/zinc/46/28/78/1208462878.db2.gz QEITVEQEJREJJY-MKXGPGLRSA-N 2 2 374.529 0.966 20 0 FCADLP COCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201737057 1208463709 /nfs/dbraw/zinc/46/37/09/1208463709.db2.gz RMNOOYCKKMZUAO-MSOLQXFVSA-N 2 2 369.506 0.483 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001220806453 1225082703 /nfs/dbraw/zinc/08/27/03/1225082703.db2.gz CZEWVAGXNCRUDJ-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001220806453 1225082709 /nfs/dbraw/zinc/08/27/09/1225082709.db2.gz CZEWVAGXNCRUDJ-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001220826160 1225091382 /nfs/dbraw/zinc/09/13/82/1225091382.db2.gz PNABULVSMOKWIP-SJORKVTESA-N 2 2 362.474 0.179 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001220826160 1225091387 /nfs/dbraw/zinc/09/13/87/1225091387.db2.gz PNABULVSMOKWIP-SJORKVTESA-N 2 2 362.474 0.179 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001220826160 1225091388 /nfs/dbraw/zinc/09/13/88/1225091388.db2.gz PNABULVSMOKWIP-SJORKVTESA-N 2 2 362.474 0.179 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001220826160 1225091389 /nfs/dbraw/zinc/09/13/89/1225091389.db2.gz PNABULVSMOKWIP-SJORKVTESA-N 2 2 362.474 0.179 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2CC)C[C@@H]1O ZINC001220830589 1225093294 /nfs/dbraw/zinc/09/32/94/1225093294.db2.gz CWFSSPGDDCABJU-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2CC)C[C@@H]1O ZINC001220830589 1225093301 /nfs/dbraw/zinc/09/33/01/1225093301.db2.gz CWFSSPGDDCABJU-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2CC)C[C@@H]1O ZINC001220830589 1225093314 /nfs/dbraw/zinc/09/33/14/1225093314.db2.gz CWFSSPGDDCABJU-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP COC(=O)[C@@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1c[nH]c2ccc(OC)cc21 ZINC001220839687 1225100498 /nfs/dbraw/zinc/10/04/98/1225100498.db2.gz CIQPLJNPIAHMBH-OOVXXXAESA-N 2 2 360.414 0.239 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001489608035 1208964201 /nfs/dbraw/zinc/96/42/01/1208964201.db2.gz UFYGMNCNHRLPQI-XHSDSOJGSA-N 2 2 365.478 0.254 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001489608035 1208964212 /nfs/dbraw/zinc/96/42/12/1208964212.db2.gz UFYGMNCNHRLPQI-XHSDSOJGSA-N 2 2 365.478 0.254 20 0 FCADLP COC(=O)[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1c[nH]c2ccc(OC)cc21 ZINC001220843297 1225102518 /nfs/dbraw/zinc/10/25/18/1225102518.db2.gz QWEDHYKUHKYDQF-KKUMJFAQSA-N 2 2 360.414 0.096 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000851686487 1209512855 /nfs/dbraw/zinc/51/28/55/1209512855.db2.gz OTSRBXZMBXMZAN-HNNXBMFYSA-N 2 2 359.474 0.316 20 0 FCADLP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)cc1=O ZINC001110642603 1209532100 /nfs/dbraw/zinc/53/21/00/1209532100.db2.gz AQNAROLWNDXSOH-ZACQAIPSSA-N 2 2 355.442 0.963 20 0 FCADLP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]c[nH+]2)C3)cc1=O ZINC001110642603 1209532105 /nfs/dbraw/zinc/53/21/05/1209532105.db2.gz AQNAROLWNDXSOH-ZACQAIPSSA-N 2 2 355.442 0.963 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1 ZINC001220924577 1225143366 /nfs/dbraw/zinc/14/33/66/1225143366.db2.gz YAJQGOVANDGJRU-SJORKVTESA-N 2 2 353.426 0.685 20 0 FCADLP O=C1CCCN1C[C@@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594370 1209600628 /nfs/dbraw/zinc/60/06/28/1209600628.db2.gz UXNJXWYRYXZTAO-DNVCBOLYSA-N 2 2 362.474 0.805 20 0 FCADLP O=C1CCCN1C[C@@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853594370 1209600629 /nfs/dbraw/zinc/60/06/29/1209600629.db2.gz UXNJXWYRYXZTAO-DNVCBOLYSA-N 2 2 362.474 0.805 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934250 1225147595 /nfs/dbraw/zinc/14/75/95/1225147595.db2.gz LNYVMCPNHBNPIA-SJORKVTESA-N 2 2 367.453 0.463 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110714757 1209733814 /nfs/dbraw/zinc/73/38/14/1209733814.db2.gz FOCBYPRMFFSFAE-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110714757 1209733818 /nfs/dbraw/zinc/73/38/18/1209733818.db2.gz FOCBYPRMFFSFAE-TUVASFSCSA-N 2 2 367.494 0.284 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001110740885 1209777748 /nfs/dbraw/zinc/77/77/48/1209777748.db2.gz HZZIFMNUOSBUQI-HZMVEIRTSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001110740885 1209777751 /nfs/dbraw/zinc/77/77/51/1209777751.db2.gz HZZIFMNUOSBUQI-HZMVEIRTSA-N 2 2 362.474 0.830 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771042 1209817055 /nfs/dbraw/zinc/81/70/55/1209817055.db2.gz HZFUUUFWBRTOMD-LTZCYQRMSA-N 2 2 370.413 0.253 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771042 1209817058 /nfs/dbraw/zinc/81/70/58/1209817058.db2.gz HZFUUUFWBRTOMD-LTZCYQRMSA-N 2 2 370.413 0.253 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)cn1 ZINC000861508590 1209868803 /nfs/dbraw/zinc/86/88/03/1209868803.db2.gz RDAMGYUHDBYPEP-HNNXBMFYSA-N 2 2 356.430 0.971 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001111496832 1209877197 /nfs/dbraw/zinc/87/71/97/1209877197.db2.gz GVNVFMTYMOQHHF-TVFCKZIOSA-N 2 2 372.473 0.642 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001111496832 1209877198 /nfs/dbraw/zinc/87/71/98/1209877198.db2.gz GVNVFMTYMOQHHF-TVFCKZIOSA-N 2 2 372.473 0.642 20 0 FCADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000861764390 1209881102 /nfs/dbraw/zinc/88/11/02/1209881102.db2.gz PPLNRMBCOVYLNJ-CQSZACIVSA-N 2 2 361.490 0.643 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110816851 1209910325 /nfs/dbraw/zinc/91/03/25/1209910325.db2.gz BCZAYZWANOEFIS-OAGGEKHMSA-N 2 2 363.462 0.066 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110816851 1209910328 /nfs/dbraw/zinc/91/03/28/1209910328.db2.gz BCZAYZWANOEFIS-OAGGEKHMSA-N 2 2 363.462 0.066 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1O ZINC001220986076 1225174335 /nfs/dbraw/zinc/17/43/35/1225174335.db2.gz RMZVSUBORDMKRK-OLMNPRSZSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1O ZINC001220986076 1225174339 /nfs/dbraw/zinc/17/43/39/1225174339.db2.gz RMZVSUBORDMKRK-OLMNPRSZSA-N 2 2 365.449 0.455 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985801 1225174621 /nfs/dbraw/zinc/17/46/21/1225174621.db2.gz GLEKKCGKFNLXRD-OLMNPRSZSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985801 1225174626 /nfs/dbraw/zinc/17/46/26/1225174626.db2.gz GLEKKCGKFNLXRD-OLMNPRSZSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986004 1225175216 /nfs/dbraw/zinc/17/52/16/1225175216.db2.gz ODRVTOYYTZJGDC-JQHSSLGASA-N 2 2 362.474 0.020 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863760200 1209950925 /nfs/dbraw/zinc/95/09/25/1209950925.db2.gz DZPZMZQCLWYXFS-OAHLLOKOSA-N 2 2 361.490 0.952 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986004 1225175219 /nfs/dbraw/zinc/17/52/19/1225175219.db2.gz ODRVTOYYTZJGDC-JQHSSLGASA-N 2 2 362.474 0.020 20 0 FCADLP COc1ccnc(C2(CNC(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)CCOCC2)c1 ZINC001220990319 1225176810 /nfs/dbraw/zinc/17/68/10/1225176810.db2.gz HMEXCQQXDLVBPI-AUUYWEPGSA-N 2 2 360.458 0.206 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2cccc(N3CCOCC3=O)c2)cc1 ZINC001220990370 1225177030 /nfs/dbraw/zinc/17/70/30/1225177030.db2.gz JXHKVKQIKBHEAX-GOSISDBHSA-N 2 2 368.437 0.938 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000866768148 1210005683 /nfs/dbraw/zinc/00/56/83/1210005683.db2.gz PLXRRPSDANFJLC-ZYIDEWGLSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000866768148 1210005689 /nfs/dbraw/zinc/00/56/89/1210005689.db2.gz PLXRRPSDANFJLC-ZYIDEWGLSA-N 2 2 373.497 0.874 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3nnc(-c4ccc(F)cc4)n3c2)C1 ZINC001220994794 1225180211 /nfs/dbraw/zinc/18/02/11/1225180211.db2.gz HBZUETJDBMCGBS-CABCVRRESA-N 2 2 354.389 0.841 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cn(CC[NH3+])nn3)C2)c1 ZINC000867997627 1210038262 /nfs/dbraw/zinc/03/82/62/1210038262.db2.gz IEEOMMSTWIFHEL-INIZCTEOSA-N 2 2 358.446 0.176 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cn(CC[NH3+])nn3)C2)c1 ZINC000867997627 1210038267 /nfs/dbraw/zinc/03/82/67/1210038267.db2.gz IEEOMMSTWIFHEL-INIZCTEOSA-N 2 2 358.446 0.176 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000868304918 1210050843 /nfs/dbraw/zinc/05/08/43/1210050843.db2.gz YEJFAFPDJDBYGA-IIAWOOMASA-N 2 2 360.458 0.872 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001221007166 1225183055 /nfs/dbraw/zinc/18/30/55/1225183055.db2.gz YLDYCDZDMZQCNQ-TVFCKZIOSA-N 2 2 374.485 0.981 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868385337 1210058188 /nfs/dbraw/zinc/05/81/88/1210058188.db2.gz PIDKXSBTEUZZHQ-QGZVFWFLSA-N 2 2 367.538 0.057 20 0 FCADLP [NH3+][C@H]1CC[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000870876747 1210121301 /nfs/dbraw/zinc/12/13/01/1210121301.db2.gz XPGHNFXJTFOMHG-IYBDPMFKSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073034 1225209685 /nfs/dbraw/zinc/20/96/85/1225209685.db2.gz CMWLEISFNVTLSG-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073034 1225209691 /nfs/dbraw/zinc/20/96/91/1225209691.db2.gz CMWLEISFNVTLSG-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570251 1210488958 /nfs/dbraw/zinc/48/89/58/1210488958.db2.gz DXEVMBSHSAOKRU-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570251 1210488961 /nfs/dbraw/zinc/48/89/61/1210488961.db2.gz DXEVMBSHSAOKRU-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570251 1210488967 /nfs/dbraw/zinc/48/89/67/1210488967.db2.gz DXEVMBSHSAOKRU-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000879570251 1210488973 /nfs/dbraw/zinc/48/89/73/1210488973.db2.gz DXEVMBSHSAOKRU-IRXDYDNUSA-N 2 2 358.490 0.541 20 0 FCADLP O=C(CC[NH+]1CCC2(CCNC2=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000879917196 1210504025 /nfs/dbraw/zinc/50/40/25/1210504025.db2.gz BWVLMPPMWDEPIN-UHFFFAOYSA-N 2 2 371.485 0.722 20 0 FCADLP COC(=O)CC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000880037055 1210512613 /nfs/dbraw/zinc/51/26/13/1210512613.db2.gz GHTCEAUKPJJSER-INIZCTEOSA-N 2 2 369.506 0.879 20 0 FCADLP COC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000880037055 1210512617 /nfs/dbraw/zinc/51/26/17/1210512617.db2.gz GHTCEAUKPJJSER-INIZCTEOSA-N 2 2 369.506 0.879 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000880251156 1210522861 /nfs/dbraw/zinc/52/28/61/1210522861.db2.gz IJXXYOPRGOOOGR-IRXDYDNUSA-N 2 2 369.506 0.349 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H](CF)C2)CC1 ZINC000880297355 1210526831 /nfs/dbraw/zinc/52/68/31/1210526831.db2.gz MCJOCCLKJINUKY-ZDUSSCGKSA-N 2 2 361.425 0.303 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000881622507 1210595765 /nfs/dbraw/zinc/59/57/65/1210595765.db2.gz NJNUBTBJIUAVLR-OAHLLOKOSA-N 2 2 359.474 0.778 20 0 FCADLP CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202552390 1210647399 /nfs/dbraw/zinc/64/73/99/1210647399.db2.gz MMEFRWCRGIRDCO-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]([NH2+]Cc1nnc2n1CCNC2=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000883303141 1210661059 /nfs/dbraw/zinc/66/10/59/1210661059.db2.gz QFEWMJWOJOERLA-CYBMUJFWSA-N 2 2 358.446 0.813 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883346649 1210664016 /nfs/dbraw/zinc/66/40/16/1210664016.db2.gz DTKCEXSSCIGSFI-AEFFLSMTSA-N 2 2 367.538 0.565 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427122 1210734463 /nfs/dbraw/zinc/73/44/63/1210734463.db2.gz IHYKKWVZQRTQSG-RDJZCZTQSA-N 2 2 361.442 0.454 20 0 FCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000884545571 1210747882 /nfs/dbraw/zinc/74/78/82/1210747882.db2.gz LSPSRSAIZXDMTE-KRWDZBQOSA-N 2 2 371.441 0.489 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)[NH2+]C1 ZINC000884627990 1210767120 /nfs/dbraw/zinc/76/71/20/1210767120.db2.gz JIIVCWCPQPTTEE-AWEZNQCLSA-N 2 2 361.490 0.773 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884634113 1210768545 /nfs/dbraw/zinc/76/85/45/1210768545.db2.gz NZEKWIRAINTZON-DNMXQMFDSA-N 2 2 356.470 0.936 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884634113 1210768549 /nfs/dbraw/zinc/76/85/49/1210768549.db2.gz NZEKWIRAINTZON-DNMXQMFDSA-N 2 2 356.470 0.936 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000884643444 1210771320 /nfs/dbraw/zinc/77/13/20/1210771320.db2.gz HYKDYMKJTFICIU-CABCVRRESA-N 2 2 359.474 0.671 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000884689037 1210780901 /nfs/dbraw/zinc/78/09/01/1210780901.db2.gz XITAXQZOSFCCQI-MSOLQXFVSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000884689037 1210780911 /nfs/dbraw/zinc/78/09/11/1210780911.db2.gz XITAXQZOSFCCQI-MSOLQXFVSA-N 2 2 374.485 0.180 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884692085 1210782242 /nfs/dbraw/zinc/78/22/42/1210782242.db2.gz GFLIJNGWVJBTTO-DOTOQJQBSA-N 2 2 355.442 0.856 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706596 1210785164 /nfs/dbraw/zinc/78/51/64/1210785164.db2.gz IHNBHGPAWWLVMU-MSOLQXFVSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706596 1210785173 /nfs/dbraw/zinc/78/51/73/1210785173.db2.gz IHNBHGPAWWLVMU-MSOLQXFVSA-N 2 2 374.485 0.166 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884722415 1210788812 /nfs/dbraw/zinc/78/88/12/1210788812.db2.gz VSQVVSSTJKPNFV-KRWDZBQOSA-N 2 2 353.426 0.777 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C[NH2+]1 ZINC000884818039 1210799368 /nfs/dbraw/zinc/79/93/68/1210799368.db2.gz WCZDPMWMYJHMOH-OIISXLGYSA-N 2 2 355.442 0.997 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000885019958 1210809297 /nfs/dbraw/zinc/80/92/97/1210809297.db2.gz CAEGEKSPKFICRX-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000885019958 1210809298 /nfs/dbraw/zinc/80/92/98/1210809298.db2.gz CAEGEKSPKFICRX-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000885020026 1210809304 /nfs/dbraw/zinc/80/93/04/1210809304.db2.gz DCDBZSAVYQOOBT-ROUUACIJSA-N 2 2 374.485 0.119 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000885020026 1210809305 /nfs/dbraw/zinc/80/93/05/1210809305.db2.gz DCDBZSAVYQOOBT-ROUUACIJSA-N 2 2 374.485 0.119 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000885022653 1210809690 /nfs/dbraw/zinc/80/96/90/1210809690.db2.gz QXRRSNDPUDPVDT-YLJYHZDGSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000885022653 1210809692 /nfs/dbraw/zinc/80/96/92/1210809692.db2.gz QXRRSNDPUDPVDT-YLJYHZDGSA-N 2 2 356.470 0.891 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227573 1210816385 /nfs/dbraw/zinc/81/63/85/1210816385.db2.gz KJKWADSBXHGNMB-USXIJHARSA-N 2 2 355.442 0.936 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C[C@H]1n1cc[nH+]c1 ZINC000885285073 1210817165 /nfs/dbraw/zinc/81/71/65/1210817165.db2.gz LZHVPITWQMZFOQ-MGPQQGTHSA-N 2 2 369.416 0.654 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000887112466 1210848381 /nfs/dbraw/zinc/84/83/81/1210848381.db2.gz ZORVAIFUJIGNHQ-XCRHUMRWSA-N 2 2 371.428 0.765 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000887112466 1210848384 /nfs/dbraw/zinc/84/83/84/1210848384.db2.gz ZORVAIFUJIGNHQ-XCRHUMRWSA-N 2 2 371.428 0.765 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887925250 1210920590 /nfs/dbraw/zinc/92/05/90/1210920590.db2.gz GWMLVSFKRFTBPM-URLQWDBASA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925250 1210920600 /nfs/dbraw/zinc/92/06/00/1210920600.db2.gz GWMLVSFKRFTBPM-URLQWDBASA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887925250 1210920605 /nfs/dbraw/zinc/92/06/05/1210920605.db2.gz GWMLVSFKRFTBPM-URLQWDBASA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887925250 1210920616 /nfs/dbraw/zinc/92/06/16/1210920616.db2.gz GWMLVSFKRFTBPM-URLQWDBASA-N 2 2 361.490 0.893 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274419305 1211050089 /nfs/dbraw/zinc/05/00/89/1211050089.db2.gz RNZYDBYSBLCBDB-KURKYZTESA-N 2 2 359.474 0.137 20 0 FCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1C[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001274709003 1211106008 /nfs/dbraw/zinc/10/60/08/1211106008.db2.gz QXZHRFVKHHTMIF-OAGGEKHMSA-N 2 2 364.490 0.843 20 0 FCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C1C[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001274709003 1211106011 /nfs/dbraw/zinc/10/60/11/1211106011.db2.gz QXZHRFVKHHTMIF-OAGGEKHMSA-N 2 2 364.490 0.843 20 0 FCADLP C[NH+]1CCN(CCCN2CC3(C[NH+](CCC(C)(C)C)C3)OCC2=O)CC1 ZINC001275126613 1211176649 /nfs/dbraw/zinc/17/66/49/1211176649.db2.gz FRCWCQSKHOCJIP-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP CN1CC[NH+](CCCN2CC3(C[NH+](CCC(C)(C)C)C3)OCC2=O)CC1 ZINC001275126613 1211176653 /nfs/dbraw/zinc/17/66/53/1211176653.db2.gz FRCWCQSKHOCJIP-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP COC(=O)CCC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275130989 1211177116 /nfs/dbraw/zinc/17/71/16/1211177116.db2.gz QLAUWZLXPMQJAY-SFHVURJKSA-N 2 2 362.430 0.677 20 0 FCADLP COC(=O)CCC[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275130989 1211177119 /nfs/dbraw/zinc/17/71/19/1211177119.db2.gz QLAUWZLXPMQJAY-SFHVURJKSA-N 2 2 362.430 0.677 20 0 FCADLP COCCOC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001275171951 1211188500 /nfs/dbraw/zinc/18/85/00/1211188500.db2.gz PLUOVEDIWBVFTF-HKUYNNGSSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCN1C)C2 ZINC001275171951 1211188503 /nfs/dbraw/zinc/18/85/03/1211188503.db2.gz PLUOVEDIWBVFTF-HKUYNNGSSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001275171951 1211188506 /nfs/dbraw/zinc/18/85/06/1211188506.db2.gz PLUOVEDIWBVFTF-HKUYNNGSSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001275171951 1211188507 /nfs/dbraw/zinc/18/85/07/1211188507.db2.gz PLUOVEDIWBVFTF-HKUYNNGSSA-N 2 2 368.522 0.167 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)CCCC[N@@H+]2CCN1CCOCC1 ZINC001275287743 1211209302 /nfs/dbraw/zinc/20/93/02/1211209302.db2.gz SBQPNEGKQUPGMM-LJQANCHMSA-N 2 2 361.490 0.672 20 0 FCADLP O=C1C[C@@]2(CN1CCn1cc[nH+]c1)CCCC[N@H+]2CCN1CCOCC1 ZINC001275287743 1211209305 /nfs/dbraw/zinc/20/93/05/1211209305.db2.gz SBQPNEGKQUPGMM-LJQANCHMSA-N 2 2 361.490 0.672 20 0 FCADLP Cn1ccnc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275308039 1211213514 /nfs/dbraw/zinc/21/35/14/1211213514.db2.gz IZYPPPDTNGICLH-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1ccnc1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275308039 1211213517 /nfs/dbraw/zinc/21/35/17/1211213517.db2.gz IZYPPPDTNGICLH-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275364507 1211221564 /nfs/dbraw/zinc/22/15/64/1211221564.db2.gz ZQAVNARWGBPWQE-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1ccc(C[N@H+]2CCC[C@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275364507 1211221569 /nfs/dbraw/zinc/22/15/69/1211221569.db2.gz ZQAVNARWGBPWQE-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccnn3C)C2)C1=O ZINC001275365260 1211222290 /nfs/dbraw/zinc/22/22/90/1211222290.db2.gz LURCLPNOMYYZDX-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccnn3C)C2)C1=O ZINC001275365260 1211222291 /nfs/dbraw/zinc/22/22/91/1211222291.db2.gz LURCLPNOMYYZDX-SFHVURJKSA-N 2 2 356.430 0.695 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O)OC ZINC001275392949 1211230525 /nfs/dbraw/zinc/23/05/25/1211230525.db2.gz XCYGXYNGQUYTHX-SFHVURJKSA-N 2 2 364.446 0.689 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O)OC ZINC001275392949 1211230527 /nfs/dbraw/zinc/23/05/27/1211230527.db2.gz XCYGXYNGQUYTHX-SFHVURJKSA-N 2 2 364.446 0.689 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443294 1211238672 /nfs/dbraw/zinc/23/86/72/1211238672.db2.gz ONQKNWWYCNXZAG-UGSOOPFHSA-N 2 2 362.430 0.249 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443294 1211238674 /nfs/dbraw/zinc/23/86/74/1211238674.db2.gz ONQKNWWYCNXZAG-UGSOOPFHSA-N 2 2 362.430 0.249 20 0 FCADLP CN(C)C(=O)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH+]ccc1N ZINC001275455100 1211240994 /nfs/dbraw/zinc/24/09/94/1211240994.db2.gz DOTJZHYXVNJZCK-LJQANCHMSA-N 2 2 359.474 0.929 20 0 FCADLP CN(C)C(=O)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH+]ccc1N ZINC001275455099 1211241066 /nfs/dbraw/zinc/24/10/66/1211241066.db2.gz DOTJZHYXVNJZCK-IBGZPJMESA-N 2 2 359.474 0.929 20 0 FCADLP CNC(=O)C(C)(C)NC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275455935 1211242388 /nfs/dbraw/zinc/24/23/88/1211242388.db2.gz RTNGOMMKVQFXDX-CQSZACIVSA-N 2 2 359.474 0.737 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)CN(CC(C)(C)[NH+]3CCOCC3)C[C@@]2(F)C1=O ZINC001275515801 1211252907 /nfs/dbraw/zinc/25/29/07/1211252907.db2.gz PSMOXASWBNMJOR-ZWKOTPCHSA-N 2 2 374.476 0.233 20 0 FCADLP Cc1noc(CN2C[C@]3(CC[N@@H+](CC(C)(C)C[NH+](C)C)C3)OCC2=O)n1 ZINC001275512657 1211253066 /nfs/dbraw/zinc/25/30/66/1211253066.db2.gz UAWMTOQTUZCOMI-GOSISDBHSA-N 2 2 365.478 0.769 20 0 FCADLP Cc1noc(CN2C[C@]3(CC[N@H+](CC(C)(C)C[NH+](C)C)C3)OCC2=O)n1 ZINC001275512657 1211253068 /nfs/dbraw/zinc/25/30/68/1211253068.db2.gz UAWMTOQTUZCOMI-GOSISDBHSA-N 2 2 365.478 0.769 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3[C@@H]2CC[NH+]3Cc2ccc[nH]2)C1 ZINC001275817611 1211290633 /nfs/dbraw/zinc/29/06/33/1211290633.db2.gz PJYZQHPXZRREMO-XIRDDKMYSA-N 2 2 360.458 0.685 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)C1 ZINC001275817611 1211290640 /nfs/dbraw/zinc/29/06/40/1211290640.db2.gz PJYZQHPXZRREMO-XIRDDKMYSA-N 2 2 360.458 0.685 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc[nH]2)C1 ZINC001275817611 1211290643 /nfs/dbraw/zinc/29/06/43/1211290643.db2.gz PJYZQHPXZRREMO-XIRDDKMYSA-N 2 2 360.458 0.685 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](CCCn3cccn3)C2)OCC1=O ZINC001275830389 1211293377 /nfs/dbraw/zinc/29/33/77/1211293377.db2.gz MXKCOAUMNRYQEH-SFHVURJKSA-N 2 2 358.446 0.510 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](CCCn3cccn3)C2)OCC1=O ZINC001275830389 1211293379 /nfs/dbraw/zinc/29/33/79/1211293379.db2.gz MXKCOAUMNRYQEH-SFHVURJKSA-N 2 2 358.446 0.510 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccncn3)C2)C1=O ZINC001275845238 1211297314 /nfs/dbraw/zinc/29/73/14/1211297314.db2.gz XYQQWTDTDHDICE-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccncn3)C2)C1=O ZINC001275845238 1211297315 /nfs/dbraw/zinc/29/73/15/1211297315.db2.gz XYQQWTDTDHDICE-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP COCCN1C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830667 1211332960 /nfs/dbraw/zinc/33/29/60/1211332960.db2.gz ONVSTEYLAHSXFL-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP COCCN1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000370830667 1211332961 /nfs/dbraw/zinc/33/29/61/1211332961.db2.gz ONVSTEYLAHSXFL-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccnnc3)C2)C1=O ZINC001276039581 1211336343 /nfs/dbraw/zinc/33/63/43/1211336343.db2.gz BVVCPUDVWNIMNI-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccnnc3)C2)C1=O ZINC001276039581 1211336345 /nfs/dbraw/zinc/33/63/45/1211336345.db2.gz BVVCPUDVWNIMNI-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Nc1ncc(C[NH+]2CCC3(CCN(CCn4cc[nH+]c4)C3=O)CC2)cn1 ZINC001276090578 1211351199 /nfs/dbraw/zinc/35/11/99/1211351199.db2.gz XPSJCZOFOJEEGY-UHFFFAOYSA-N 2 2 355.446 0.770 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095610130 1211424272 /nfs/dbraw/zinc/42/42/72/1211424272.db2.gz FOJSSIHHMISASZ-UWLPGLTFSA-N 2 2 361.490 0.669 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095610130 1211424275 /nfs/dbraw/zinc/42/42/75/1211424275.db2.gz FOJSSIHHMISASZ-UWLPGLTFSA-N 2 2 361.490 0.669 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001095625001 1211429521 /nfs/dbraw/zinc/42/95/21/1211429521.db2.gz WBAHUKHWVDZFTP-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001095625001 1211429523 /nfs/dbraw/zinc/42/95/23/1211429523.db2.gz WBAHUKHWVDZFTP-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001095625001 1211429525 /nfs/dbraw/zinc/42/95/25/1211429525.db2.gz WBAHUKHWVDZFTP-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001095625001 1211429527 /nfs/dbraw/zinc/42/95/27/1211429527.db2.gz WBAHUKHWVDZFTP-LTIDMASMSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000546571770 1211437290 /nfs/dbraw/zinc/43/72/90/1211437290.db2.gz WHMQDGOPGNTMBU-LJQANCHMSA-N 2 2 371.441 0.708 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000546571770 1211437293 /nfs/dbraw/zinc/43/72/93/1211437293.db2.gz WHMQDGOPGNTMBU-LJQANCHMSA-N 2 2 371.441 0.708 20 0 FCADLP CO[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946979432 1211465085 /nfs/dbraw/zinc/46/50/85/1211465085.db2.gz ZSSMNLSOGVFFKM-HZPDHXFCSA-N 2 2 363.462 0.170 20 0 FCADLP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000924705559 1211477773 /nfs/dbraw/zinc/47/77/73/1211477773.db2.gz FOHGSOQRJLCENQ-GOSISDBHSA-N 2 2 359.470 0.904 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CN3C(=O)N[C@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046936 1211489547 /nfs/dbraw/zinc/48/95/47/1211489547.db2.gz UAHXCIIPTVJJCQ-DLBZAZTESA-N 2 2 360.458 0.678 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CN3C(=O)N[C@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046936 1211489550 /nfs/dbraw/zinc/48/95/50/1211489550.db2.gz UAHXCIIPTVJJCQ-DLBZAZTESA-N 2 2 360.458 0.678 20 0 FCADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000925395843 1211498302 /nfs/dbraw/zinc/49/83/02/1211498302.db2.gz IEPKGOLPDXZFJT-YOEHRIQHSA-N 2 2 374.489 0.396 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000926378225 1211541988 /nfs/dbraw/zinc/54/19/88/1211541988.db2.gz NPBFWVOYPXUQCZ-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000926378225 1211542000 /nfs/dbraw/zinc/54/20/00/1211542000.db2.gz NPBFWVOYPXUQCZ-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636844 1211577113 /nfs/dbraw/zinc/57/71/13/1211577113.db2.gz LCYAKPBQBKAESP-BPQIPLTHSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927636844 1211577116 /nfs/dbraw/zinc/57/71/16/1211577116.db2.gz LCYAKPBQBKAESP-BPQIPLTHSA-N 2 2 366.506 0.744 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1nnc(C)o1 ZINC001221338732 1225299855 /nfs/dbraw/zinc/29/98/55/1225299855.db2.gz VGYFEIWUVTVVDQ-ZFWWWQNUSA-N 2 2 356.386 0.885 20 0 FCADLP COc1ccccc1[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1nnc(C)o1 ZINC001221335912 1225300782 /nfs/dbraw/zinc/30/07/82/1225300782.db2.gz IFNZGYDYAOHILS-YYWXWVFPSA-N 2 2 357.414 0.542 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCCC1 ZINC000929178930 1211621257 /nfs/dbraw/zinc/62/12/57/1211621257.db2.gz BNYMWBNMIQITSJ-WBVHZDCISA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCCC1 ZINC000929178930 1211621261 /nfs/dbraw/zinc/62/12/61/1211621261.db2.gz BNYMWBNMIQITSJ-WBVHZDCISA-N 2 2 374.485 0.769 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000929298972 1211628577 /nfs/dbraw/zinc/62/85/77/1211628577.db2.gz YKTCUYNBAMHTOR-INIZCTEOSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000929298972 1211628580 /nfs/dbraw/zinc/62/85/80/1211628580.db2.gz YKTCUYNBAMHTOR-INIZCTEOSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000929863602 1211665922 /nfs/dbraw/zinc/66/59/22/1211665922.db2.gz NLCPSNRHWJVISA-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000929863602 1211665927 /nfs/dbraw/zinc/66/59/27/1211665927.db2.gz NLCPSNRHWJVISA-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP Cc1ncccc1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000930171872 1211694282 /nfs/dbraw/zinc/69/42/82/1211694282.db2.gz WJRGVYBJNJOYSJ-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1ncccc1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000930171872 1211694284 /nfs/dbraw/zinc/69/42/84/1211694284.db2.gz WJRGVYBJNJOYSJ-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931488358 1211757465 /nfs/dbraw/zinc/75/74/65/1211757465.db2.gz QHBSPQIJZRQKRD-SFHVURJKSA-N 2 2 361.486 0.691 20 0 FCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000931664297 1211770164 /nfs/dbraw/zinc/77/01/64/1211770164.db2.gz ZQXDYAKDGZCWTG-KRWDZBQOSA-N 2 2 360.458 0.572 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001111022916 1211796067 /nfs/dbraw/zinc/79/60/67/1211796067.db2.gz YQWMKGIXVAZGOT-HPBDAGMYSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)C1 ZINC001111022916 1211796070 /nfs/dbraw/zinc/79/60/70/1211796070.db2.gz YQWMKGIXVAZGOT-HPBDAGMYSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)C1 ZINC001111022916 1211796073 /nfs/dbraw/zinc/79/60/73/1211796073.db2.gz YQWMKGIXVAZGOT-HPBDAGMYSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)C1 ZINC001111022916 1211796076 /nfs/dbraw/zinc/79/60/76/1211796076.db2.gz YQWMKGIXVAZGOT-HPBDAGMYSA-N 2 2 362.518 0.966 20 0 FCADLP CCOC(=O)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(=O)OCC)C3)COC2)C1 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C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001095931921 1214149930 /nfs/dbraw/zinc/14/99/30/1214149930.db2.gz VKKPOTFMYQPKHU-FXUDXRNXSA-N 2 2 360.458 0.955 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001095931921 1214149936 /nfs/dbraw/zinc/14/99/36/1214149936.db2.gz VKKPOTFMYQPKHU-FXUDXRNXSA-N 2 2 360.458 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CCc4[nH]cc[nH+]4)C3)C2)CC[N@@H+]1C ZINC001018979286 1214175303 /nfs/dbraw/zinc/17/53/03/1214175303.db2.gz NZBUUHBHLRLLLI-HUUCEWRRSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CCc4[nH]cc[nH+]4)C3)C2)CC[N@H+]1C ZINC001018979286 1214175307 /nfs/dbraw/zinc/17/53/07/1214175307.db2.gz NZBUUHBHLRLLLI-HUUCEWRRSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC001019032430 1214183566 /nfs/dbraw/zinc/18/35/66/1214183566.db2.gz WYDDARQRZVKJIC-RVKKMQEKSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC001019032430 1214183569 /nfs/dbraw/zinc/18/35/69/1214183569.db2.gz WYDDARQRZVKJIC-RVKKMQEKSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CCc2[nH]cc[nH+]2)C3)CC[N@@H+]1C ZINC001019070668 1214190400 /nfs/dbraw/zinc/19/04/00/1214190400.db2.gz WZLNQLMORZKEGF-HUUCEWRRSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC3(C2)CCN(C(=O)CCc2[nH]cc[nH+]2)C3)CC[N@H+]1C ZINC001019070668 1214190405 /nfs/dbraw/zinc/19/04/05/1214190405.db2.gz WZLNQLMORZKEGF-HUUCEWRRSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)C1 ZINC001019147918 1214204951 /nfs/dbraw/zinc/20/49/51/1214204951.db2.gz ITWFAYBWWVWGKX-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)C1 ZINC001019147918 1214204959 /nfs/dbraw/zinc/20/49/59/1214204959.db2.gz ITWFAYBWWVWGKX-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C3)C2)C1 ZINC001019147918 1214204966 /nfs/dbraw/zinc/20/49/66/1214204966.db2.gz ITWFAYBWWVWGKX-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C3)C2)C1 ZINC001019147918 1214204974 /nfs/dbraw/zinc/20/49/74/1214204974.db2.gz ITWFAYBWWVWGKX-ARFHVFGLSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)CC[N@@H+]1C ZINC000961666175 1214262409 /nfs/dbraw/zinc/26/24/09/1214262409.db2.gz GECCITFLGNHSOO-WCXIOVBPSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)CC[N@H+]1C ZINC000961666175 1214262416 /nfs/dbraw/zinc/26/24/16/1214262416.db2.gz GECCITFLGNHSOO-WCXIOVBPSA-N 2 2 359.474 0.530 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872294 1225515305 /nfs/dbraw/zinc/51/53/05/1225515305.db2.gz WFKKKKDMPWAHFY-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872294 1225515310 /nfs/dbraw/zinc/51/53/10/1225515310.db2.gz WFKKKKDMPWAHFY-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001038265005 1214349207 /nfs/dbraw/zinc/34/92/07/1214349207.db2.gz GAQLGUDABXPZNB-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001038265005 1214349210 /nfs/dbraw/zinc/34/92/10/1214349210.db2.gz GAQLGUDABXPZNB-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001038265005 1214349212 /nfs/dbraw/zinc/34/92/12/1214349212.db2.gz GAQLGUDABXPZNB-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001038265005 1214349216 /nfs/dbraw/zinc/34/92/16/1214349216.db2.gz GAQLGUDABXPZNB-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039580916 1214387895 /nfs/dbraw/zinc/38/78/95/1214387895.db2.gz HPWCAAKSSMJTNG-ILXRZTDVSA-N 2 2 356.434 0.335 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039580916 1214387899 /nfs/dbraw/zinc/38/78/99/1214387899.db2.gz HPWCAAKSSMJTNG-ILXRZTDVSA-N 2 2 356.434 0.335 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001039595264 1214401906 /nfs/dbraw/zinc/40/19/06/1214401906.db2.gz IXJNGMYWCNMHSC-LJIZCISZSA-N 2 2 362.474 0.197 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001039595264 1214401911 /nfs/dbraw/zinc/40/19/11/1214401911.db2.gz IXJNGMYWCNMHSC-LJIZCISZSA-N 2 2 362.474 0.197 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001039595264 1214401917 /nfs/dbraw/zinc/40/19/17/1214401917.db2.gz IXJNGMYWCNMHSC-LJIZCISZSA-N 2 2 362.474 0.197 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2CCC(=O)NC2=O)CC[NH+]1C ZINC001039595264 1214401921 /nfs/dbraw/zinc/40/19/21/1214401921.db2.gz IXJNGMYWCNMHSC-LJIZCISZSA-N 2 2 362.474 0.197 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21)[NH+](C)C ZINC001040671715 1214558939 /nfs/dbraw/zinc/55/89/39/1214558939.db2.gz UUMKSMOGGUTDNK-AEGPPILISA-N 2 2 357.462 0.741 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)C1 ZINC001040823135 1214596755 /nfs/dbraw/zinc/59/67/55/1214596755.db2.gz UIKKJLSSQKRIDE-OFQRWUPVSA-N 2 2 369.473 0.742 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4[nH+]cnc5c4cnn5C)C[C@H]32)C1 ZINC001040823135 1214596761 /nfs/dbraw/zinc/59/67/61/1214596761.db2.gz UIKKJLSSQKRIDE-OFQRWUPVSA-N 2 2 369.473 0.742 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2 ZINC001040855225 1214605699 /nfs/dbraw/zinc/60/56/99/1214605699.db2.gz CDZCZGSFJSBDFC-OAGGEKHMSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)nc(C)[nH+]1 ZINC001041101749 1214700814 /nfs/dbraw/zinc/70/08/14/1214700814.db2.gz OPEZNUZSKBNNRR-GDBMZVCRSA-N 2 2 356.430 0.534 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041104130 1214702199 /nfs/dbraw/zinc/70/21/99/1214702199.db2.gz WCHAUFYFYSABPE-FVQBIDKESA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001041104130 1214702206 /nfs/dbraw/zinc/70/22/06/1214702206.db2.gz WCHAUFYFYSABPE-FVQBIDKESA-N 2 2 359.474 0.670 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)nc(C)[nH+]1 ZINC001041139418 1214718899 /nfs/dbraw/zinc/71/88/99/1214718899.db2.gz PSLXNQNIWMIMDL-IAGOWNOFSA-N 2 2 361.490 0.745 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c(C)c(C)[nH+]1 ZINC001041172834 1214734786 /nfs/dbraw/zinc/73/47/86/1214734786.db2.gz VTLRONPDLPSEPV-IXDOHACOSA-N 2 2 361.490 0.940 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c(C)c(C)[nH+]1 ZINC001041172834 1214734791 /nfs/dbraw/zinc/73/47/91/1214734791.db2.gz VTLRONPDLPSEPV-IXDOHACOSA-N 2 2 361.490 0.940 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963151312 1214752048 /nfs/dbraw/zinc/75/20/48/1214752048.db2.gz HJYOFHSOPZJOGK-WCXIOVBPSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963151312 1214752051 /nfs/dbraw/zinc/75/20/51/1214752051.db2.gz HJYOFHSOPZJOGK-WCXIOVBPSA-N 2 2 359.474 0.815 20 0 FCADLP Cc1nonc1C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000963550402 1214820669 /nfs/dbraw/zinc/82/06/69/1214820669.db2.gz FKVQTBQOJLAONL-IGHZYHEGSA-N 2 2 365.478 0.956 20 0 FCADLP Cc1nonc1C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000963550402 1214820672 /nfs/dbraw/zinc/82/06/72/1214820672.db2.gz FKVQTBQOJLAONL-IGHZYHEGSA-N 2 2 365.478 0.956 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221972646 1225557984 /nfs/dbraw/zinc/55/79/84/1225557984.db2.gz BYRBZJZTXABVQJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221972646 1225557987 /nfs/dbraw/zinc/55/79/87/1225557987.db2.gz BYRBZJZTXABVQJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221972646 1225557990 /nfs/dbraw/zinc/55/79/90/1225557990.db2.gz BYRBZJZTXABVQJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221972646 1225557995 /nfs/dbraw/zinc/55/79/95/1225557995.db2.gz BYRBZJZTXABVQJ-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221973526 1225558117 /nfs/dbraw/zinc/55/81/17/1225558117.db2.gz BCRRLWYPIBRKMK-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221973526 1225558121 /nfs/dbraw/zinc/55/81/21/1225558121.db2.gz BCRRLWYPIBRKMK-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221973526 1225558125 /nfs/dbraw/zinc/55/81/25/1225558125.db2.gz BCRRLWYPIBRKMK-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001221973526 1225558127 /nfs/dbraw/zinc/55/81/27/1225558127.db2.gz BCRRLWYPIBRKMK-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC000965037754 1215017974 /nfs/dbraw/zinc/01/79/74/1215017974.db2.gz ZJLWEFDOAQEARE-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC000965037754 1215017976 /nfs/dbraw/zinc/01/79/76/1215017976.db2.gz ZJLWEFDOAQEARE-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018095 1225577263 /nfs/dbraw/zinc/57/72/63/1225577263.db2.gz MLQAKOVSZPUMKO-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018095 1225577267 /nfs/dbraw/zinc/57/72/67/1225577267.db2.gz MLQAKOVSZPUMKO-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000966963664 1215191724 /nfs/dbraw/zinc/19/17/24/1215191724.db2.gz BKGJCIJDQCKDJN-BRWVUGGUSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000966963664 1215191726 /nfs/dbraw/zinc/19/17/26/1215191726.db2.gz BKGJCIJDQCKDJN-BRWVUGGUSA-N 2 2 361.490 0.920 20 0 FCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000967840374 1215261352 /nfs/dbraw/zinc/26/13/52/1215261352.db2.gz LFXJPMVNTARRNH-OAGGEKHMSA-N 2 2 359.474 0.677 20 0 FCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000967840374 1215261354 /nfs/dbraw/zinc/26/13/54/1215261354.db2.gz LFXJPMVNTARRNH-OAGGEKHMSA-N 2 2 359.474 0.677 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC000652889764 1215263108 /nfs/dbraw/zinc/26/31/08/1215263108.db2.gz CDUGWQMZSFHWCP-LJQANCHMSA-N 2 2 358.486 0.325 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)c2)CC1 ZINC000652889764 1215263109 /nfs/dbraw/zinc/26/31/09/1215263109.db2.gz CDUGWQMZSFHWCP-LJQANCHMSA-N 2 2 358.486 0.325 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001222098293 1225599021 /nfs/dbraw/zinc/59/90/21/1225599021.db2.gz GXSOQIRGIMVLQG-ZHALLVOQSA-N 2 2 370.453 0.856 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC001222098293 1225599025 /nfs/dbraw/zinc/59/90/25/1225599025.db2.gz GXSOQIRGIMVLQG-ZHALLVOQSA-N 2 2 370.453 0.856 20 0 FCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222093656 1225599129 /nfs/dbraw/zinc/59/91/29/1225599129.db2.gz JMIIMJTUKNQJAN-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222093656 1225599132 /nfs/dbraw/zinc/59/91/32/1225599132.db2.gz JMIIMJTUKNQJAN-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489003 1225628342 /nfs/dbraw/zinc/62/83/42/1225628342.db2.gz JGMZSKIPNCPRNU-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489003 1225628346 /nfs/dbraw/zinc/62/83/46/1225628346.db2.gz JGMZSKIPNCPRNU-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489003 1225628348 /nfs/dbraw/zinc/62/83/48/1225628348.db2.gz JGMZSKIPNCPRNU-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489003 1225628350 /nfs/dbraw/zinc/62/83/50/1225628350.db2.gz JGMZSKIPNCPRNU-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncnc5c4C[NH+](C)CC5)C[C@H]32)CC[N@@H+]1C ZINC001056445065 1215971530 /nfs/dbraw/zinc/97/15/30/1215971530.db2.gz UBAADIMCQWMSPZ-LSPIHWNJSA-N 2 2 370.501 0.356 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncnc5c4C[NH+](C)CC5)C[C@H]32)CC[N@H+]1C ZINC001056445065 1215971532 /nfs/dbraw/zinc/97/15/32/1215971532.db2.gz UBAADIMCQWMSPZ-LSPIHWNJSA-N 2 2 370.501 0.356 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncnc5c4C[N@H+](C)CC5)C[C@H]32)CC[NH+]1C ZINC001056445065 1215971533 /nfs/dbraw/zinc/97/15/33/1215971533.db2.gz UBAADIMCQWMSPZ-LSPIHWNJSA-N 2 2 370.501 0.356 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncnc5c4C[N@@H+](C)CC5)C[C@H]32)CC[NH+]1C ZINC001056445065 1215971534 /nfs/dbraw/zinc/97/15/34/1215971534.db2.gz UBAADIMCQWMSPZ-LSPIHWNJSA-N 2 2 370.501 0.356 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001000005758 1215988696 /nfs/dbraw/zinc/98/86/96/1215988696.db2.gz QHMKHKAAJQFZHC-HZPDHXFCSA-N 2 2 364.409 0.812 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001000230563 1216025991 /nfs/dbraw/zinc/02/59/91/1216025991.db2.gz ANNDCVXGJJCHCD-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001057053212 1216127281 /nfs/dbraw/zinc/12/72/81/1216127281.db2.gz YRMHQQWUQKKXTR-MGPQQGTHSA-N 2 2 357.462 0.741 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001057053212 1216127282 /nfs/dbraw/zinc/12/72/82/1216127282.db2.gz YRMHQQWUQKKXTR-MGPQQGTHSA-N 2 2 357.462 0.741 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001001170485 1216134396 /nfs/dbraw/zinc/13/43/96/1216134396.db2.gz AKNUCCALUFKQGB-BZUAXINKSA-N 2 2 357.458 0.551 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001001170485 1216134397 /nfs/dbraw/zinc/13/43/97/1216134397.db2.gz AKNUCCALUFKQGB-BZUAXINKSA-N 2 2 357.458 0.551 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H]2C1 ZINC001222799652 1225654670 /nfs/dbraw/zinc/65/46/70/1225654670.db2.gz NRCXVZUTIQBKCM-PVAVHDDUSA-N 2 2 366.485 0.918 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H]2C1 ZINC001222799652 1225654675 /nfs/dbraw/zinc/65/46/75/1225654675.db2.gz NRCXVZUTIQBKCM-PVAVHDDUSA-N 2 2 366.485 0.918 20 0 FCADLP O=C(NCC1CC[NH+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001001501065 1216228267 /nfs/dbraw/zinc/22/82/67/1216228267.db2.gz NWKXWMGHWBYHPC-HUUCEWRRSA-N 2 2 360.462 0.367 20 0 FCADLP O=C(NCC1CC[NH+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001001501065 1216228277 /nfs/dbraw/zinc/22/82/77/1216228277.db2.gz NWKXWMGHWBYHPC-HUUCEWRRSA-N 2 2 360.462 0.367 20 0 FCADLP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001532441 1216238607 /nfs/dbraw/zinc/23/86/07/1216238607.db2.gz MSHPDTJWHKQDNV-NVXWUHKLSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001532441 1216238619 /nfs/dbraw/zinc/23/86/19/1216238619.db2.gz MSHPDTJWHKQDNV-NVXWUHKLSA-N 2 2 363.506 0.950 20 0 FCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276844345 1225658777 /nfs/dbraw/zinc/65/87/77/1225658777.db2.gz DEENBJDJDWYQMA-UGSOOPFHSA-N 2 2 362.430 0.713 20 0 FCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276844345 1225658782 /nfs/dbraw/zinc/65/87/82/1225658782.db2.gz DEENBJDJDWYQMA-UGSOOPFHSA-N 2 2 362.430 0.713 20 0 FCADLP CN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)CC2)C1=O ZINC001050553837 1216335490 /nfs/dbraw/zinc/33/54/90/1216335490.db2.gz LXBNXQKWSZQSNN-FMKPAKJESA-N 2 2 357.458 0.668 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C4CC4)o3)C2)CC[N@@H+]1C ZINC001051622090 1216466174 /nfs/dbraw/zinc/46/61/74/1216466174.db2.gz MPKGEJSRBYZIBB-BPLDGKMQSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C4CC4)o3)C2)CC[N@H+]1C ZINC001051622090 1216466176 /nfs/dbraw/zinc/46/61/76/1216466176.db2.gz MPKGEJSRBYZIBB-BPLDGKMQSA-N 2 2 363.462 0.604 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)on1 ZINC001051834134 1216484790 /nfs/dbraw/zinc/48/47/90/1216484790.db2.gz HTJLQAHTKSULAQ-ARFHVFGLSA-N 2 2 359.430 0.837 20 0 FCADLP C[C@@H](CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)n1cc[nH+]c1 ZINC001057740742 1216531503 /nfs/dbraw/zinc/53/15/03/1216531503.db2.gz BODDHQYGHCXATL-ARFHVFGLSA-N 2 2 365.478 0.112 20 0 FCADLP C[C@@H](CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)n1cc[nH+]c1 ZINC001057740742 1216531507 /nfs/dbraw/zinc/53/15/07/1216531507.db2.gz BODDHQYGHCXATL-ARFHVFGLSA-N 2 2 365.478 0.112 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052585030 1216574097 /nfs/dbraw/zinc/57/40/97/1216574097.db2.gz WVZJXQIGLIXDEN-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCCO)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052585030 1216574100 /nfs/dbraw/zinc/57/41/00/1216574100.db2.gz WVZJXQIGLIXDEN-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905853 1216832486 /nfs/dbraw/zinc/83/24/86/1216832486.db2.gz TUJNJPLBZCNAEP-SQNIBIBYSA-N 2 2 370.457 0.150 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905853 1216832487 /nfs/dbraw/zinc/83/24/87/1216832487.db2.gz TUJNJPLBZCNAEP-SQNIBIBYSA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905853 1216832490 /nfs/dbraw/zinc/83/24/90/1216832490.db2.gz TUJNJPLBZCNAEP-SQNIBIBYSA-N 2 2 370.457 0.150 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2n2ccnn2)C1 ZINC001069905853 1216832493 /nfs/dbraw/zinc/83/24/93/1216832493.db2.gz TUJNJPLBZCNAEP-SQNIBIBYSA-N 2 2 370.457 0.150 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069958937 1216867236 /nfs/dbraw/zinc/86/72/36/1216867236.db2.gz UHTSUWCQUGFLSM-JLZZUVOBSA-N 2 2 369.429 0.845 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069958937 1216867240 /nfs/dbraw/zinc/86/72/40/1216867240.db2.gz UHTSUWCQUGFLSM-JLZZUVOBSA-N 2 2 369.429 0.845 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959091 1216867480 /nfs/dbraw/zinc/86/74/80/1216867480.db2.gz CHPZVCXTDKKJFP-XZJROXQQSA-N 2 2 355.402 0.191 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959091 1216867483 /nfs/dbraw/zinc/86/74/83/1216867483.db2.gz CHPZVCXTDKKJFP-XZJROXQQSA-N 2 2 355.402 0.191 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962290 1216869386 /nfs/dbraw/zinc/86/93/86/1216869386.db2.gz OGNZGELGHPZQOO-OIISXLGYSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962290 1216869388 /nfs/dbraw/zinc/86/93/88/1216869388.db2.gz OGNZGELGHPZQOO-OIISXLGYSA-N 2 2 357.462 0.735 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223352820 1225699679 /nfs/dbraw/zinc/69/96/79/1225699679.db2.gz BXFGOEXTEDXIJW-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223352820 1225699688 /nfs/dbraw/zinc/69/96/88/1225699688.db2.gz BXFGOEXTEDXIJW-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024509 1216903351 /nfs/dbraw/zinc/90/33/51/1216903351.db2.gz STGZWABVXIQBOP-OAGGEKHMSA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024509 1216903356 /nfs/dbraw/zinc/90/33/56/1216903356.db2.gz STGZWABVXIQBOP-OAGGEKHMSA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024509 1216903361 /nfs/dbraw/zinc/90/33/61/1216903361.db2.gz STGZWABVXIQBOP-OAGGEKHMSA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024509 1216903366 /nfs/dbraw/zinc/90/33/66/1216903366.db2.gz STGZWABVXIQBOP-OAGGEKHMSA-N 2 2 364.494 0.386 20 0 FCADLP CCOC(=O)CCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276887686 1225702814 /nfs/dbraw/zinc/70/28/14/1225702814.db2.gz FHNZXMQOAHHRND-SFHVURJKSA-N 2 2 364.446 0.567 20 0 FCADLP CCOC(=O)CCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276887686 1225702818 /nfs/dbraw/zinc/70/28/18/1225702818.db2.gz FHNZXMQOAHHRND-SFHVURJKSA-N 2 2 364.446 0.567 20 0 FCADLP 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COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000803667875 1218469536 /nfs/dbraw/zinc/46/95/36/1218469536.db2.gz YLWZXGQUHSCIMF-HNNXBMFYSA-N 2 2 360.458 0.924 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000803667875 1218469543 /nfs/dbraw/zinc/46/95/43/1218469543.db2.gz YLWZXGQUHSCIMF-HNNXBMFYSA-N 2 2 360.458 0.924 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549488 1218484132 /nfs/dbraw/zinc/48/41/32/1218484132.db2.gz QAIFAOPHQWZBSK-YYIAUSFCSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549488 1218484138 /nfs/dbraw/zinc/48/41/38/1218484138.db2.gz QAIFAOPHQWZBSK-YYIAUSFCSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)O1 ZINC001049549488 1218484143 /nfs/dbraw/zinc/48/41/43/1218484143.db2.gz QAIFAOPHQWZBSK-YYIAUSFCSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)N2CCC2)O1 ZINC001049549488 1218484148 /nfs/dbraw/zinc/48/41/48/1218484148.db2.gz QAIFAOPHQWZBSK-YYIAUSFCSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549484 1218485242 /nfs/dbraw/zinc/48/52/42/1218485242.db2.gz QAIFAOPHQWZBSK-QBPKDAKJSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CC(=O)N2CCC2)O1 ZINC001049549484 1218485246 /nfs/dbraw/zinc/48/52/46/1218485246.db2.gz QAIFAOPHQWZBSK-QBPKDAKJSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)N2CCC2)O1 ZINC001049549484 1218485248 /nfs/dbraw/zinc/48/52/48/1218485248.db2.gz QAIFAOPHQWZBSK-QBPKDAKJSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)N2CCC2)O1 ZINC001049549484 1218485251 /nfs/dbraw/zinc/48/52/51/1218485251.db2.gz QAIFAOPHQWZBSK-QBPKDAKJSA-N 2 2 364.490 0.003 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCC1 ZINC001049735808 1218540635 /nfs/dbraw/zinc/54/06/35/1218540635.db2.gz JVEZMZZGFFZHJV-WCXIOVBPSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049735808 1218540637 /nfs/dbraw/zinc/54/06/37/1218540637.db2.gz JVEZMZZGFFZHJV-WCXIOVBPSA-N 2 2 371.485 0.821 20 0 FCADLP NC(=O)c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC001096653521 1218594151 /nfs/dbraw/zinc/59/41/51/1218594151.db2.gz VGEBXKDPRKBDRH-IKGGRYGDSA-N 2 2 353.426 0.904 20 0 FCADLP NC(=O)c1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC001096653521 1218594159 /nfs/dbraw/zinc/59/41/59/1218594159.db2.gz VGEBXKDPRKBDRH-IKGGRYGDSA-N 2 2 353.426 0.904 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001226356222 1225841403 /nfs/dbraw/zinc/84/14/03/1225841403.db2.gz RZNMTIVTVGDAGQ-IOASZLSFSA-N 2 2 362.478 0.553 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001226356222 1225841404 /nfs/dbraw/zinc/84/14/04/1225841404.db2.gz RZNMTIVTVGDAGQ-IOASZLSFSA-N 2 2 362.478 0.553 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)nn1 ZINC001097552717 1218818139 /nfs/dbraw/zinc/81/81/39/1218818139.db2.gz FRVQTBZTPRAETN-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)nn1 ZINC001097552717 1218818140 /nfs/dbraw/zinc/81/81/40/1218818140.db2.gz FRVQTBZTPRAETN-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)NC1CC1 ZINC001097550989 1218820543 /nfs/dbraw/zinc/82/05/43/1218820543.db2.gz SISWWGSXCXABQJ-OIISXLGYSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)NC1CC1 ZINC001097550989 1218820545 /nfs/dbraw/zinc/82/05/45/1218820545.db2.gz SISWWGSXCXABQJ-OIISXLGYSA-N 2 2 353.426 0.948 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccnn2C)C1 ZINC001097712186 1218840029 /nfs/dbraw/zinc/84/00/29/1218840029.db2.gz GOASLHCAVMTUNZ-NRSFXHEJSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccnn2C)C1 ZINC001097712186 1218840031 /nfs/dbraw/zinc/84/00/31/1218840031.db2.gz GOASLHCAVMTUNZ-NRSFXHEJSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)C1 ZINC001097712186 1218840033 /nfs/dbraw/zinc/84/00/33/1218840033.db2.gz GOASLHCAVMTUNZ-NRSFXHEJSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)C1 ZINC001097712186 1218840034 /nfs/dbraw/zinc/84/00/34/1218840034.db2.gz GOASLHCAVMTUNZ-NRSFXHEJSA-N 2 2 361.490 0.751 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001097824548 1218850083 /nfs/dbraw/zinc/85/00/83/1218850083.db2.gz YAJDYSVOAFPYFS-XOUADPBQSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001097824548 1218850085 /nfs/dbraw/zinc/85/00/85/1218850085.db2.gz YAJDYSVOAFPYFS-XOUADPBQSA-N 2 2 355.446 0.843 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736534 1218861924 /nfs/dbraw/zinc/86/19/24/1218861924.db2.gz JNWWHMXNDIRSLN-RRFJBIMHSA-N 2 2 355.446 0.568 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncccn1 ZINC001052736534 1218861925 /nfs/dbraw/zinc/86/19/25/1218861925.db2.gz JNWWHMXNDIRSLN-RRFJBIMHSA-N 2 2 355.446 0.568 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000826927011 1218912345 /nfs/dbraw/zinc/91/23/45/1218912345.db2.gz VCXULSPSZXKDQT-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000826927011 1218912349 /nfs/dbraw/zinc/91/23/49/1218912349.db2.gz VCXULSPSZXKDQT-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001097958419 1218954719 /nfs/dbraw/zinc/95/47/19/1218954719.db2.gz OWLWZKUDNBLDPO-KBXIAJHMSA-N 2 2 373.457 0.533 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001097958419 1218954724 /nfs/dbraw/zinc/95/47/24/1218954724.db2.gz OWLWZKUDNBLDPO-KBXIAJHMSA-N 2 2 373.457 0.533 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227165114 1225864671 /nfs/dbraw/zinc/86/46/71/1225864671.db2.gz JQVMJDRXMFNVLW-RBSFLKMASA-N 2 2 361.490 0.976 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227165114 1225864674 /nfs/dbraw/zinc/86/46/74/1225864674.db2.gz JQVMJDRXMFNVLW-RBSFLKMASA-N 2 2 361.490 0.976 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001055362125 1219034710 /nfs/dbraw/zinc/03/47/10/1219034710.db2.gz KFSXHIGYUYYZIF-XOUADPBQSA-N 2 2 369.473 0.931 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001055362125 1219034711 /nfs/dbraw/zinc/03/47/11/1219034711.db2.gz KFSXHIGYUYYZIF-XOUADPBQSA-N 2 2 369.473 0.931 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1)NC1CC1 ZINC001227176301 1225865407 /nfs/dbraw/zinc/86/54/07/1225865407.db2.gz WEXZMIRNAHCTIY-NUEKZKHPSA-N 2 2 359.474 0.741 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227128746 1225864334 /nfs/dbraw/zinc/86/43/34/1225864334.db2.gz XVMZHPOANDDJGM-USXIJHARSA-N 2 2 361.490 0.989 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052997 1219106273 /nfs/dbraw/zinc/10/62/73/1219106273.db2.gz GTRDUQKUSLBHGH-HZPDHXFCSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052997 1219106275 /nfs/dbraw/zinc/10/62/75/1219106275.db2.gz GTRDUQKUSLBHGH-HZPDHXFCSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001098113393 1219119215 /nfs/dbraw/zinc/11/92/15/1219119215.db2.gz VESJHTDWOFGSKN-WCXIOVBPSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001098113393 1219119218 /nfs/dbraw/zinc/11/92/18/1219119218.db2.gz VESJHTDWOFGSKN-WCXIOVBPSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070098863 1219171982 /nfs/dbraw/zinc/17/19/82/1219171982.db2.gz WNVCMBXYJQWMDL-MSOLQXFVSA-N 2 2 354.458 0.916 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070098863 1219171988 /nfs/dbraw/zinc/17/19/88/1219171988.db2.gz WNVCMBXYJQWMDL-MSOLQXFVSA-N 2 2 354.458 0.916 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]([NH2+]CCF)[C@@H](n4ccnn4)C3)ccn12 ZINC001070194561 1219286630 /nfs/dbraw/zinc/28/66/30/1219286630.db2.gz CAWIFQBBKXATNJ-CABCVRRESA-N 2 2 357.393 0.859 20 0 FCADLP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001227663593 1225881627 /nfs/dbraw/zinc/88/16/27/1225881627.db2.gz ZGTAPZDNUVCKPZ-HZPDHXFCSA-N 2 2 361.490 0.991 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070220016 1219301891 /nfs/dbraw/zinc/30/18/91/1219301891.db2.gz XTEVMXPEAXPIMW-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070241634 1219313633 /nfs/dbraw/zinc/31/36/33/1219313633.db2.gz QKEFOPQOULMFJP-CVEARBPZSA-N 2 2 357.462 0.786 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070247379 1219317332 /nfs/dbraw/zinc/31/73/32/1219317332.db2.gz RWPVIGBKZPZDHV-SJORKVTESA-N 2 2 366.429 0.502 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C1)CC2 ZINC001070261029 1219331156 /nfs/dbraw/zinc/33/11/56/1219331156.db2.gz ZJQPIYTVNMPNMJ-BMFZPTHFSA-N 2 2 361.425 0.357 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070282126 1219346806 /nfs/dbraw/zinc/34/68/06/1219346806.db2.gz ACAJCBZUZXYIOC-KONPQCLYSA-N 2 2 369.473 0.957 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1 ZINC001070284715 1219349079 /nfs/dbraw/zinc/34/90/79/1219349079.db2.gz RBIFJZRGEKUNQM-CVEARBPZSA-N 2 2 371.470 0.890 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070306434 1219364132 /nfs/dbraw/zinc/36/41/32/1219364132.db2.gz AKTFDUGHJQFCRL-CVEARBPZSA-N 2 2 370.392 0.484 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2n2ccnn2)o1 ZINC001070328163 1219378755 /nfs/dbraw/zinc/37/87/55/1219378755.db2.gz QDYJTSHNHQDFKH-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070336988 1219385123 /nfs/dbraw/zinc/38/51/23/1219385123.db2.gz GRCXBRWZVMALEH-SJORKVTESA-N 2 2 351.414 0.717 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001070337247 1219386228 /nfs/dbraw/zinc/38/62/28/1219386228.db2.gz VAXKOYPNFCZSDA-CVEARBPZSA-N 2 2 352.402 0.112 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001070353297 1219389778 /nfs/dbraw/zinc/38/97/78/1219389778.db2.gz IFRPSBMOHRTFRE-ZNMIVQPWSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001070353297 1219389783 /nfs/dbraw/zinc/38/97/83/1219389783.db2.gz IFRPSBMOHRTFRE-ZNMIVQPWSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001070353297 1219389789 /nfs/dbraw/zinc/38/97/89/1219389789.db2.gz IFRPSBMOHRTFRE-ZNMIVQPWSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001070353297 1219389795 /nfs/dbraw/zinc/38/97/95/1219389795.db2.gz IFRPSBMOHRTFRE-ZNMIVQPWSA-N 2 2 362.478 0.387 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001070424171 1219411178 /nfs/dbraw/zinc/41/11/78/1219411178.db2.gz BZYITLDMXFVNEB-BPLDGKMQSA-N 2 2 358.446 0.345 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001070424171 1219411181 /nfs/dbraw/zinc/41/11/81/1219411181.db2.gz BZYITLDMXFVNEB-BPLDGKMQSA-N 2 2 358.446 0.345 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954624 1225891768 /nfs/dbraw/zinc/89/17/68/1225891768.db2.gz WBABGXDMBCCNBE-HLLBOEOZSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954624 1225891771 /nfs/dbraw/zinc/89/17/71/1225891771.db2.gz WBABGXDMBCCNBE-HLLBOEOZSA-N 2 2 368.522 0.543 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2[NH2+]CCF)c1 ZINC001070507923 1219445250 /nfs/dbraw/zinc/44/52/50/1219445250.db2.gz WGAAGOYGVWAFPL-XJKSGUPXSA-N 2 2 364.425 0.637 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]2[NH2+]CCO)c1 ZINC001070533681 1219457505 /nfs/dbraw/zinc/45/75/05/1219457505.db2.gz KZFNGEMEQBHSTI-DVOMOZLQSA-N 2 2 358.446 0.140 20 0 FCADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070540754 1219459640 /nfs/dbraw/zinc/45/96/40/1219459640.db2.gz HMSBLCKOCWZQHQ-DOTOQJQBSA-N 2 2 369.429 0.767 20 0 FCADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070570582 1219474635 /nfs/dbraw/zinc/47/46/35/1219474635.db2.gz XHFNJRAMBNHDSZ-DOTOQJQBSA-N 2 2 369.429 0.697 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCO ZINC001070688850 1219526335 /nfs/dbraw/zinc/52/63/35/1219526335.db2.gz VKOVPFVEMKNKEZ-GZBFAFLISA-N 2 2 358.446 0.140 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001070919269 1219573079 /nfs/dbraw/zinc/57/30/79/1219573079.db2.gz CYWUDRVBJDMUMM-XHSDSOJGSA-N 2 2 359.430 0.468 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001070919269 1219573084 /nfs/dbraw/zinc/57/30/84/1219573084.db2.gz CYWUDRVBJDMUMM-XHSDSOJGSA-N 2 2 359.430 0.468 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071086105 1219602951 /nfs/dbraw/zinc/60/29/51/1219602951.db2.gz PEBULMMIISQXJH-KYJSFNMBSA-N 2 2 362.474 0.808 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@H]2CCOC2)CC1 ZINC001071095872 1219606258 /nfs/dbraw/zinc/60/62/58/1219606258.db2.gz USQIRIYKPAYOJR-OGWOLHLISA-N 2 2 362.474 0.974 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001071199523 1219610426 /nfs/dbraw/zinc/61/04/26/1219610426.db2.gz LPFURYDIQAAGTI-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001071199523 1219610427 /nfs/dbraw/zinc/61/04/27/1219610427.db2.gz LPFURYDIQAAGTI-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000725886074 1219618292 /nfs/dbraw/zinc/61/82/92/1219618292.db2.gz RTHDYPRADJETFO-UHFFFAOYSA-N 2 2 361.490 0.984 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994648 1219629585 /nfs/dbraw/zinc/62/95/85/1219629585.db2.gz LDHFUHVAGUAJTH-RBSFLKMASA-N 2 2 359.474 0.535 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994648 1219629589 /nfs/dbraw/zinc/62/95/89/1219629589.db2.gz LDHFUHVAGUAJTH-RBSFLKMASA-N 2 2 359.474 0.535 20 0 FCADLP Cn1cncc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994736 1219630608 /nfs/dbraw/zinc/63/06/08/1219630608.db2.gz PJCKNRYARHFYFK-HZPDHXFCSA-N 2 2 354.458 0.992 20 0 FCADLP Cn1cncc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994736 1219630611 /nfs/dbraw/zinc/63/06/11/1219630611.db2.gz PJCKNRYARHFYFK-HZPDHXFCSA-N 2 2 354.458 0.992 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074709641 1219717794 /nfs/dbraw/zinc/71/77/94/1219717794.db2.gz KYXNLSHNOCDDBJ-CBBWQLFWSA-N 2 2 368.457 0.046 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ncnn2CCF)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074709641 1219717796 /nfs/dbraw/zinc/71/77/96/1219717796.db2.gz KYXNLSHNOCDDBJ-CBBWQLFWSA-N 2 2 368.457 0.046 20 0 FCADLP CCOCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001228395119 1225916882 /nfs/dbraw/zinc/91/68/82/1225916882.db2.gz ZNSTUSBWRHOAQC-MSOLQXFVSA-N 2 2 369.506 0.483 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001098285668 1219752081 /nfs/dbraw/zinc/75/20/81/1219752081.db2.gz HVRFTCARMPXXRC-XOUADPBQSA-N 2 2 355.446 0.761 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001098285668 1219752085 /nfs/dbraw/zinc/75/20/85/1219752085.db2.gz HVRFTCARMPXXRC-XOUADPBQSA-N 2 2 355.446 0.761 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCC1 ZINC001098405609 1219775078 /nfs/dbraw/zinc/77/50/78/1219775078.db2.gz HPSOZOSODXZTSB-ZACQAIPSSA-N 2 2 359.474 0.926 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCC1 ZINC001098405609 1219775082 /nfs/dbraw/zinc/77/50/82/1219775082.db2.gz HPSOZOSODXZTSB-ZACQAIPSSA-N 2 2 359.474 0.926 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001098411024 1219775801 /nfs/dbraw/zinc/77/58/01/1219775801.db2.gz QGFUNXHGLVFDCW-KFWWJZLASA-N 2 2 359.430 0.062 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001098411024 1219775806 /nfs/dbraw/zinc/77/58/06/1219775806.db2.gz QGFUNXHGLVFDCW-KFWWJZLASA-N 2 2 359.430 0.062 20 0 FCADLP COCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482592 1219793805 /nfs/dbraw/zinc/79/38/05/1219793805.db2.gz PIBBHDUJAKLDEJ-IAGOWNOFSA-N 2 2 364.490 0.845 20 0 FCADLP COCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482592 1219793806 /nfs/dbraw/zinc/79/38/06/1219793806.db2.gz PIBBHDUJAKLDEJ-IAGOWNOFSA-N 2 2 364.490 0.845 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773809 1219824443 /nfs/dbraw/zinc/82/44/43/1219824443.db2.gz OUXJMBRYAORZOH-SCTDSRPQSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773809 1219824447 /nfs/dbraw/zinc/82/44/47/1219824447.db2.gz OUXJMBRYAORZOH-SCTDSRPQSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001098773809 1219824449 /nfs/dbraw/zinc/82/44/49/1219824449.db2.gz OUXJMBRYAORZOH-SCTDSRPQSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001098773809 1219824453 /nfs/dbraw/zinc/82/44/53/1219824453.db2.gz OUXJMBRYAORZOH-SCTDSRPQSA-N 2 2 361.490 0.264 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098913547 1219860903 /nfs/dbraw/zinc/86/09/03/1219860903.db2.gz DOHAOEFKJUIDSN-PNPHSEOMSA-N 2 2 363.462 0.584 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098913547 1219860905 /nfs/dbraw/zinc/86/09/05/1219860905.db2.gz DOHAOEFKJUIDSN-PNPHSEOMSA-N 2 2 363.462 0.584 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC001099120692 1219919962 /nfs/dbraw/zinc/91/99/62/1219919962.db2.gz GFQPLTBMWQQIIE-LPHOPBHVSA-N 2 2 356.474 0.910 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC001099120692 1219919966 /nfs/dbraw/zinc/91/99/66/1219919966.db2.gz GFQPLTBMWQQIIE-LPHOPBHVSA-N 2 2 356.474 0.910 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001099183750 1219943862 /nfs/dbraw/zinc/94/38/62/1219943862.db2.gz RLCQVCUIOUMLJA-KSSFIOAISA-N 2 2 356.430 0.853 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001099183750 1219943864 /nfs/dbraw/zinc/94/38/64/1219943864.db2.gz RLCQVCUIOUMLJA-KSSFIOAISA-N 2 2 356.430 0.853 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001099341934 1219971460 /nfs/dbraw/zinc/97/14/60/1219971460.db2.gz AHPDPXMDJJHNSC-CHWSQXEVSA-N 2 2 371.367 0.499 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099443580 1219997883 /nfs/dbraw/zinc/99/78/83/1219997883.db2.gz FLDZXKVBICYFRD-QOKNQOGYSA-N 2 2 359.474 0.839 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001099443580 1219997890 /nfs/dbraw/zinc/99/78/90/1219997890.db2.gz FLDZXKVBICYFRD-QOKNQOGYSA-N 2 2 359.474 0.839 20 0 FCADLP CN1CCC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)C1=O ZINC001099506653 1220017437 /nfs/dbraw/zinc/01/74/37/1220017437.db2.gz SGVFEGMKYRBZRE-QOKNQOGYSA-N 2 2 359.474 0.791 20 0 FCADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000751357297 1220033857 /nfs/dbraw/zinc/03/38/57/1220033857.db2.gz HOBWOXGYRYMPAM-UHFFFAOYSA-N 2 2 374.485 0.664 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101360890 1220301276 /nfs/dbraw/zinc/30/12/76/1220301276.db2.gz NVKDAYUCCQSKQG-VCBZYWHSSA-N 2 2 362.474 0.619 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101360890 1220301281 /nfs/dbraw/zinc/30/12/81/1220301281.db2.gz NVKDAYUCCQSKQG-VCBZYWHSSA-N 2 2 362.474 0.619 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001101375312 1220309167 /nfs/dbraw/zinc/30/91/67/1220309167.db2.gz MJGLRJDLRUNSCB-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001101375312 1220309172 /nfs/dbraw/zinc/30/91/72/1220309172.db2.gz MJGLRJDLRUNSCB-BEFAXECRSA-N 2 2 359.474 0.649 20 0 FCADLP 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CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229682470 1226026650 /nfs/dbraw/zinc/02/66/50/1226026650.db2.gz DWPQVJJBDDBFFW-HZPDHXFCSA-N 2 2 365.478 0.132 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cn(C)nn3)CCCCC2)O1 ZINC001115593794 1221316951 /nfs/dbraw/zinc/31/69/51/1221316951.db2.gz PPMBDZNGMTYOQT-GDBMZVCRSA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3cn(C)nn3)CCCCC2)O1 ZINC001115593794 1221316956 /nfs/dbraw/zinc/31/69/56/1221316956.db2.gz PPMBDZNGMTYOQT-GDBMZVCRSA-N 2 2 364.494 0.443 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1OCC(N)=O ZINC001116692814 1221380217 /nfs/dbraw/zinc/38/02/17/1221380217.db2.gz SIJOZHRRZGCVQE-CYBMUJFWSA-N 2 2 360.414 0.869 20 0 FCADLP CO[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001117140482 1221478295 /nfs/dbraw/zinc/47/82/95/1221478295.db2.gz ISODOOOEMDRTLT-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC001117140724 1221478487 /nfs/dbraw/zinc/47/84/87/1221478487.db2.gz KAPQDCYCVFIRJP-UHFFFAOYSA-N 2 2 362.478 0.009 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001230018626 1226046062 /nfs/dbraw/zinc/04/60/62/1226046062.db2.gz FBHTXOMQTWUUSU-ZACQAIPSSA-N 2 2 361.490 0.991 20 0 FCADLP CN(C(=O)C(=O)NCC1(C2CC2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117570112 1221573583 /nfs/dbraw/zinc/57/35/83/1221573583.db2.gz XIIUZXWPZIXGBL-QGZVFWFLSA-N 2 2 362.518 0.920 20 0 FCADLP CN(C(=O)C(=O)NCC1(C2CC2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117570112 1221573586 /nfs/dbraw/zinc/57/35/86/1221573586.db2.gz XIIUZXWPZIXGBL-QGZVFWFLSA-N 2 2 362.518 0.920 20 0 FCADLP Cc1cc(C)c(CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c[nH+]1 ZINC001118017386 1221688036 /nfs/dbraw/zinc/68/80/36/1221688036.db2.gz CPSGZIGNPDLXJZ-INIZCTEOSA-N 2 2 362.474 0.932 20 0 FCADLP Cc1cc(C)c(CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c[nH+]1 ZINC001118017386 1221688042 /nfs/dbraw/zinc/68/80/42/1221688042.db2.gz CPSGZIGNPDLXJZ-INIZCTEOSA-N 2 2 362.474 0.932 20 0 FCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347898 1226076046 /nfs/dbraw/zinc/07/60/46/1226076046.db2.gz KZPBAHZFJWSJDR-ZIAGYGMSSA-N 2 2 364.450 0.136 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001119377963 1221909754 /nfs/dbraw/zinc/90/97/54/1221909754.db2.gz WIJQLXNMHRCDLT-RBUKOAKNSA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001119377963 1221909762 /nfs/dbraw/zinc/90/97/62/1221909762.db2.gz WIJQLXNMHRCDLT-RBUKOAKNSA-N 2 2 360.502 0.908 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC001119599070 1221939022 /nfs/dbraw/zinc/93/90/22/1221939022.db2.gz ZCGONYSBTCCJCJ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC001119599070 1221939026 /nfs/dbraw/zinc/93/90/26/1221939026.db2.gz ZCGONYSBTCCJCJ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001119633722 1221942067 /nfs/dbraw/zinc/94/20/67/1221942067.db2.gz RHDLVVSJJOVATN-LJQANCHMSA-N 2 2 358.486 0.728 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001119633722 1221942074 /nfs/dbraw/zinc/94/20/74/1221942074.db2.gz RHDLVVSJJOVATN-LJQANCHMSA-N 2 2 358.486 0.728 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC001120546849 1222103192 /nfs/dbraw/zinc/10/31/92/1222103192.db2.gz UDARWMXWTLRHRT-IAQYHMDHSA-N 2 2 373.375 0.727 20 0 FCADLP COC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791713 1222212325 /nfs/dbraw/zinc/21/23/25/1222212325.db2.gz WRNQRMQLHXUJTF-DJCJQMBPSA-N 2 2 362.474 0.548 20 0 FCADLP C[C@@H]1Cn2nc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cc2C[NH2+]1 ZINC001121998292 1222231635 /nfs/dbraw/zinc/23/16/35/1222231635.db2.gz VTFFEMHVEVMCQS-CYBMUJFWSA-N 2 2 359.434 0.156 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265321 1222257177 /nfs/dbraw/zinc/25/71/77/1222257177.db2.gz KTPKDXCSEFUOJX-INIZCTEOSA-N 2 2 358.442 0.273 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1NC(=O)CC12CC[NH2+]CC2 ZINC001122265321 1222257181 /nfs/dbraw/zinc/25/71/81/1222257181.db2.gz KTPKDXCSEFUOJX-INIZCTEOSA-N 2 2 358.442 0.273 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C3=[NH+]O[C@H](CO)C3)n2CC(C)C)CC1 ZINC001122774506 1222294776 /nfs/dbraw/zinc/29/47/76/1222294776.db2.gz BVZSRXNKGBWCBB-AWEZNQCLSA-N 2 2 366.466 0.188 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123695607 1222351235 /nfs/dbraw/zinc/35/12/35/1222351235.db2.gz UXMFGXVADWMSLV-SJLPKXTDSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001123695607 1222351240 /nfs/dbraw/zinc/35/12/40/1222351240.db2.gz UXMFGXVADWMSLV-SJLPKXTDSA-N 2 2 367.538 0.375 20 0 FCADLP CCc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001124850411 1222389353 /nfs/dbraw/zinc/38/93/53/1222389353.db2.gz NREKZOSXDPNQEY-DAXOMENPSA-N 2 2 365.478 0.298 20 0 FCADLP CCc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001124850411 1222389360 /nfs/dbraw/zinc/38/93/60/1222389360.db2.gz NREKZOSXDPNQEY-DAXOMENPSA-N 2 2 365.478 0.298 20 0 FCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000829500346 1222439614 /nfs/dbraw/zinc/43/96/14/1222439614.db2.gz KWTWAOIKZIBFHC-CVEARBPZSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000829500346 1222439617 /nfs/dbraw/zinc/43/96/17/1222439617.db2.gz KWTWAOIKZIBFHC-CVEARBPZSA-N 2 2 374.489 0.526 20 0 FCADLP O=C1CC[C@@H](C[N@@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)N1 ZINC001202830351 1222508452 /nfs/dbraw/zinc/50/84/52/1222508452.db2.gz BFBYERHSFMIBPT-HNNXBMFYSA-N 2 2 362.478 0.375 20 0 FCADLP O=C1CC[C@@H](C[N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)N1 ZINC001202830351 1222508456 /nfs/dbraw/zinc/50/84/56/1222508456.db2.gz BFBYERHSFMIBPT-HNNXBMFYSA-N 2 2 362.478 0.375 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)c3cnn(C)c3)CC2)CC1 ZINC000832601782 1222536514 /nfs/dbraw/zinc/53/65/14/1222536514.db2.gz BRASBQQLCKWFML-UHFFFAOYSA-N 2 2 361.490 0.915 20 0 FCADLP Cc1nccnc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001140936303 1222622704 /nfs/dbraw/zinc/62/27/04/1222622704.db2.gz DICOABSXOFJYRD-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP Cc1nccnc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001140936303 1222622708 /nfs/dbraw/zinc/62/27/08/1222622708.db2.gz DICOABSXOFJYRD-UHFFFAOYSA-N 2 2 360.506 0.455 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4ccncn4)CC3)cn2)CC1 ZINC001232361025 1226148236 /nfs/dbraw/zinc/14/82/36/1226148236.db2.gz CCVWEHDJRCCNHA-UHFFFAOYSA-N 2 2 353.474 0.946 20 0 FCADLP COC(=O)c1cnc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC001141828332 1222780968 /nfs/dbraw/zinc/78/09/68/1222780968.db2.gz RQYUNYYXPQUFHQ-HZPDHXFCSA-N 2 2 370.457 0.951 20 0 FCADLP COC(=O)c1cnc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC001141828332 1222780969 /nfs/dbraw/zinc/78/09/69/1222780969.db2.gz RQYUNYYXPQUFHQ-HZPDHXFCSA-N 2 2 370.457 0.951 20 0 FCADLP COC(=O)c1cnc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC001141828332 1222780974 /nfs/dbraw/zinc/78/09/74/1222780974.db2.gz RQYUNYYXPQUFHQ-HZPDHXFCSA-N 2 2 370.457 0.951 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000842058442 1222834203 /nfs/dbraw/zinc/83/42/03/1222834203.db2.gz TVJUXEFJMQGLOP-XJKSGUPXSA-N 2 2 371.441 0.718 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000842149012 1222837371 /nfs/dbraw/zinc/83/73/71/1222837371.db2.gz SDOFYNHPEKTJHB-ZNMIVQPWSA-N 2 2 360.458 0.909 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1C ZINC000842147131 1222837537 /nfs/dbraw/zinc/83/75/37/1222837537.db2.gz BKDXIJKMJYRWDH-OCCSQVGLSA-N 2 2 364.446 0.552 20 0 FCADLP C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH2+]CC2([NH3+])CCC2)C1=O ZINC000843368808 1222873758 /nfs/dbraw/zinc/87/37/58/1222873758.db2.gz YWGUJAWDNWQNGG-SFHVURJKSA-N 2 2 373.457 0.432 20 0 FCADLP CN1C[C@@]2(CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)nc3)C2)OCC1=O ZINC001277698550 1226161709 /nfs/dbraw/zinc/16/17/09/1226161709.db2.gz RJEIPWQMWLSLLM-LJQANCHMSA-N 2 2 359.474 0.267 20 0 FCADLP CN1C[C@@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)nc3)C2)OCC1=O ZINC001277698550 1226161714 /nfs/dbraw/zinc/16/17/14/1226161714.db2.gz RJEIPWQMWLSLLM-LJQANCHMSA-N 2 2 359.474 0.267 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH+](C[C@@H](C)O)CC1 ZINC001151312321 1222921994 /nfs/dbraw/zinc/92/19/94/1222921994.db2.gz NGCGZMKKOCEZHX-BZUAXINKSA-N 2 2 364.490 0.892 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000977801469 1248648948 /nfs/dbraw/zinc/64/89/48/1248648948.db2.gz SUVVAZCDYDPKOM-BZUAXINKSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC000977801469 1248648964 /nfs/dbraw/zinc/64/89/64/1248648964.db2.gz SUVVAZCDYDPKOM-BZUAXINKSA-N 2 2 361.490 0.752 20 0 FCADLP C(C[C@@H]1CCOC12C[NH2+]C2)Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001155477017 1223035755 /nfs/dbraw/zinc/03/57/55/1223035755.db2.gz DYPYHEDPQDOZFI-OAHLLOKOSA-N 2 2 373.505 0.674 20 0 FCADLP C(Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527292 1223037578 /nfs/dbraw/zinc/03/75/78/1223037578.db2.gz VTZMDISRGQWIOC-OAGGEKHMSA-N 2 2 373.505 0.530 20 0 FCADLP C[NH+](C)C1(CNc2ncccc2C(=O)N2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001156184843 1223051444 /nfs/dbraw/zinc/05/14/44/1223051444.db2.gz FRDCAWSJELVETD-UHFFFAOYSA-N 3 2 360.506 0.565 20 0 FCADLP CC1(Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC[NH2+]CC1 ZINC001157397961 1223075410 /nfs/dbraw/zinc/07/54/10/1223075410.db2.gz ZQIYRRIZKSPBEJ-UHFFFAOYSA-N 2 2 363.466 0.099 20 0 FCADLP CC1(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC[NH2+]CC1 ZINC001157397961 1223075417 /nfs/dbraw/zinc/07/54/17/1223075417.db2.gz ZQIYRRIZKSPBEJ-UHFFFAOYSA-N 2 2 363.466 0.099 20 0 FCADLP O=C(NC1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1)N1CCOCC1 ZINC001157941098 1223084795 /nfs/dbraw/zinc/08/47/95/1223084795.db2.gz BMHUGSWULQPXAF-UHFFFAOYSA-N 2 2 374.489 0.502 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001157998998 1223086315 /nfs/dbraw/zinc/08/63/15/1223086315.db2.gz MBDPAYVRYUYUKQ-KGLIPLIRSA-N 2 2 373.375 0.939 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001157999051 1223086776 /nfs/dbraw/zinc/08/67/76/1223086776.db2.gz NKWGGVMVSQSXMP-GOEBONIOSA-N 2 2 364.446 0.107 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001158249894 1223091543 /nfs/dbraw/zinc/09/15/43/1223091543.db2.gz RTVZAQRWMKNPJR-HUUCEWRRSA-N 2 2 357.462 0.579 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734486 1223106196 /nfs/dbraw/zinc/10/61/96/1223106196.db2.gz ABNNHGVAHYGTIF-QZWWFDLISA-N 2 2 357.414 0.512 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158736011 1223106681 /nfs/dbraw/zinc/10/66/81/1223106681.db2.gz ZBDWLRSQGXZIEK-LGAZQOAISA-N 2 2 358.442 0.169 20 0 FCADLP CCn1nnc2c1[C@@H](COC)CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001158799020 1223109943 /nfs/dbraw/zinc/10/99/43/1223109943.db2.gz LAGZCJBJTTXASV-CABCVRRESA-N 2 2 358.446 0.643 20 0 FCADLP CCOC[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)Cc2nn(CC3CC3)cc21 ZINC001158800909 1223110028 /nfs/dbraw/zinc/11/00/28/1223110028.db2.gz YRENOUUKEBEEDS-CIRFHOKZSA-N 2 2 373.501 0.705 20 0 FCADLP [NH3+]C1(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901868 1223112287 /nfs/dbraw/zinc/11/22/87/1223112287.db2.gz ILKAUARLVCTBQG-DYVFJYSZSA-N 3 2 363.437 0.156 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H]2C[C@H]4C[NH2+]C[C@H]4[NH2+]2)CC3)cn1 ZINC001158981629 1223114557 /nfs/dbraw/zinc/11/45/57/1223114557.db2.gz CMIQBZKFVNKWCG-NXNVCVFFSA-N 2 2 359.474 0.235 20 0 FCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C[C@@H]21 ZINC001159048136 1223116097 /nfs/dbraw/zinc/11/60/97/1223116097.db2.gz OHGIWGHCZYZXLC-BRSBDYLESA-N 2 2 374.485 0.601 20 0 FCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001159074424 1223116863 /nfs/dbraw/zinc/11/68/63/1223116863.db2.gz BDKYROHBBZASGU-TXPKVOOTSA-N 2 2 369.506 0.875 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)C1 ZINC001159146275 1223118916 /nfs/dbraw/zinc/11/89/16/1223118916.db2.gz OBWFNLDVBVQCJS-TXPKVOOTSA-N 2 2 357.458 0.254 20 0 FCADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514924 1223129330 /nfs/dbraw/zinc/12/93/30/1223129330.db2.gz LZLNZLCRKSULHN-HNNXBMFYSA-N 3 2 374.493 0.314 20 0 FCADLP O=C(c1cnc2n1CC[NH2+]C2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159565215 1223129908 /nfs/dbraw/zinc/12/99/08/1223129908.db2.gz AWPODMMAUXFCKI-UHFFFAOYSA-N 2 2 369.473 0.871 20 0 FCADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159566747 1223130017 /nfs/dbraw/zinc/13/00/17/1223130017.db2.gz SXIMEQWMVWUVGI-UHFFFAOYSA-N 2 2 369.473 0.940 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001159586715 1223130413 /nfs/dbraw/zinc/13/04/13/1223130413.db2.gz WYHYABKMGKCGJA-RDJZCZTQSA-N 2 2 372.473 0.572 20 0 FCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001159680607 1223133279 /nfs/dbraw/zinc/13/32/79/1223133279.db2.gz KNDOOSXSWQNPPP-GDBMZVCRSA-N 2 2 372.448 0.935 20 0 FCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001159679086 1223133497 /nfs/dbraw/zinc/13/34/97/1223133497.db2.gz BCKZBGFJMPMGTJ-RDJZCZTQSA-N 2 2 354.458 0.795 20 0 FCADLP C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001159695287 1223134118 /nfs/dbraw/zinc/13/41/18/1223134118.db2.gz BEJZKNXQDSGCGA-GJZVTGKDSA-N 2 2 359.474 0.935 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CC[NH2+]CC1 ZINC001160054289 1223143576 /nfs/dbraw/zinc/14/35/76/1223143576.db2.gz YMKVFPBIRKBEFY-UHFFFAOYSA-N 3 2 357.502 0.977 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC[NH2+]CC1 ZINC001160054289 1223143578 /nfs/dbraw/zinc/14/35/78/1223143578.db2.gz YMKVFPBIRKBEFY-UHFFFAOYSA-N 3 2 357.502 0.977 20 0 FCADLP Cc1ccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054322 1223143616 /nfs/dbraw/zinc/14/36/16/1223143616.db2.gz ZMEDMACIVFJGSM-QAPCUYQASA-N 3 2 374.489 0.110 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086035 1223144853 /nfs/dbraw/zinc/14/48/53/1223144853.db2.gz QNHBGFPNWAYACK-JTDSTZFVSA-N 2 2 368.441 0.230 20 0 FCADLP CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001160274325 1223152893 /nfs/dbraw/zinc/15/28/93/1223152893.db2.gz OAQSUWUZPOAXOW-ZACQAIPSSA-N 2 2 356.470 0.683 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336653 1223155593 /nfs/dbraw/zinc/15/55/93/1223155593.db2.gz HYSLCIAIGCSVHS-RBSFLKMASA-N 2 2 365.478 0.540 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336653 1223155594 /nfs/dbraw/zinc/15/55/94/1223155594.db2.gz HYSLCIAIGCSVHS-RBSFLKMASA-N 2 2 365.478 0.540 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n(C)n1 ZINC001160337012 1223156089 /nfs/dbraw/zinc/15/60/89/1223156089.db2.gz RMSCWKHAGQAPHQ-CHWSQXEVSA-N 2 2 359.434 0.290 20 0 FCADLP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n(C)n1 ZINC001160337012 1223156090 /nfs/dbraw/zinc/15/60/90/1223156090.db2.gz RMSCWKHAGQAPHQ-CHWSQXEVSA-N 2 2 359.434 0.290 20 0 FCADLP O=C(N1CCC2(CC1)C(=O)Nc1c2cccc1F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160422153 1223158980 /nfs/dbraw/zinc/15/89/80/1223158980.db2.gz VGAXXVUYEIMASY-CWTRNNRKSA-N 2 2 358.417 0.590 20 0 FCADLP O=C(N1CC[NH+](CCOc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160460679 1223160450 /nfs/dbraw/zinc/16/04/50/1223160450.db2.gz CERCYMPLODWYRZ-YLJYHZDGSA-N 3 2 358.486 0.409 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3ccn(C)n3)CC2)O1 ZINC001160479172 1223161416 /nfs/dbraw/zinc/16/14/16/1223161416.db2.gz RFWPBOPHTQCKNE-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3ccn(C)n3)CC2)O1 ZINC001160479172 1223161420 /nfs/dbraw/zinc/16/14/20/1223161420.db2.gz RFWPBOPHTQCKNE-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](Cc3ccn(C)n3)CC2)O1 ZINC001160479172 1223161422 /nfs/dbraw/zinc/16/14/22/1223161422.db2.gz RFWPBOPHTQCKNE-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](Cc3ccn(C)n3)CC2)O1 ZINC001160479172 1223161424 /nfs/dbraw/zinc/16/14/24/1223161424.db2.gz RFWPBOPHTQCKNE-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC001160503680 1223163127 /nfs/dbraw/zinc/16/31/27/1223163127.db2.gz BSTFVKXYAZEHIH-IAGOWNOFSA-N 2 2 360.458 0.499 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC001160503682 1223163519 /nfs/dbraw/zinc/16/35/19/1223163519.db2.gz BSTFVKXYAZEHIH-SJORKVTESA-N 2 2 360.458 0.499 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC001160537148 1223163937 /nfs/dbraw/zinc/16/39/37/1223163937.db2.gz GNZUSVKSRPIEAK-INIZCTEOSA-N 2 2 366.425 0.745 20 0 FCADLP C1C[C@@H](Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@H]([NH+]2CCOCC2)C1 ZINC001160724504 1223169803 /nfs/dbraw/zinc/16/98/03/1223169803.db2.gz LRAGRKPSJLQYPP-NVXWUHKLSA-N 2 2 374.489 0.582 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(OCC(=O)NC3CC3)CC2)cc1 ZINC001160746131 1223170737 /nfs/dbraw/zinc/17/07/37/1223170737.db2.gz AWWUYJLFJXZJBH-QGZVFWFLSA-N 2 2 360.458 0.545 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160855587 1223177317 /nfs/dbraw/zinc/17/73/17/1223177317.db2.gz SGQKCIDOISJMRR-ZWKOTPCHSA-N 2 2 358.486 0.918 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160855587 1223177320 /nfs/dbraw/zinc/17/73/20/1223177320.db2.gz SGQKCIDOISJMRR-ZWKOTPCHSA-N 2 2 358.486 0.918 20 0 FCADLP CCO[C@@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001160857922 1223178081 /nfs/dbraw/zinc/17/80/81/1223178081.db2.gz RYRVEPWKNZZIFJ-HZSPNIEDSA-N 2 2 369.466 0.482 20 0 FCADLP CCO[C@@H](C)c1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001160857922 1223178086 /nfs/dbraw/zinc/17/80/86/1223178086.db2.gz RYRVEPWKNZZIFJ-HZSPNIEDSA-N 2 2 369.466 0.482 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC2)c1 ZINC001160943411 1223180833 /nfs/dbraw/zinc/18/08/33/1223180833.db2.gz LBLBTFNECYVXJW-ZYSHUDEJSA-N 2 2 374.485 0.310 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001160939970 1223181204 /nfs/dbraw/zinc/18/12/04/1223181204.db2.gz JFOKXHYPMREMPW-SFHVURJKSA-N 2 2 369.469 0.594 20 0 FCADLP O=C([C@@H]1C[NH2+]C[C@@H](F)C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196352 1223188404 /nfs/dbraw/zinc/18/84/04/1223188404.db2.gz DLJBKQKOLJZETI-ROUUACIJSA-N 3 2 370.513 0.485 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252681 1223191879 /nfs/dbraw/zinc/19/18/79/1223191879.db2.gz CIFVCFRDCQQSOB-NUEKZKHPSA-N 2 2 359.474 0.797 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161252681 1223191884 /nfs/dbraw/zinc/19/18/84/1223191884.db2.gz CIFVCFRDCQQSOB-NUEKZKHPSA-N 2 2 359.474 0.797 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001161253111 1223192855 /nfs/dbraw/zinc/19/28/55/1223192855.db2.gz RWWUKCZFAHBASL-KRWDZBQOSA-N 2 2 373.432 0.850 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001161321595 1223196137 /nfs/dbraw/zinc/19/61/37/1223196137.db2.gz LLWGSKRYKVDSQV-ANQUJSFKSA-N 2 2 367.490 0.805 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376592 1223197229 /nfs/dbraw/zinc/19/72/29/1223197229.db2.gz BLWUBYGSDZDWCS-WBVHZDCISA-N 3 2 356.474 0.457 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1 ZINC001161516612 1223203288 /nfs/dbraw/zinc/20/32/88/1223203288.db2.gz FJUKOQJUHDOUNM-IRXDYDNUSA-N 2 2 362.449 0.622 20 0 FCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001162249054 1223211920 /nfs/dbraw/zinc/21/19/20/1223211920.db2.gz OFYZTEMJUWMNSO-HZPDHXFCSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001162249054 1223211923 /nfs/dbraw/zinc/21/19/23/1223211923.db2.gz OFYZTEMJUWMNSO-HZPDHXFCSA-N 2 2 363.506 0.546 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH+](C[C@H](C)O)CC1 ZINC001162492643 1223217242 /nfs/dbraw/zinc/21/72/42/1223217242.db2.gz HXEBWUGGEGKJLI-ARFHVFGLSA-N 2 2 364.490 0.749 20 0 FCADLP CCOC(=O)c1cc2c[nH+]c(NCc3nnn4c3C[NH2+]CCC4)nc2[nH]1 ZINC001162974069 1223222788 /nfs/dbraw/zinc/22/27/88/1223222788.db2.gz UHOZNMHFOROZJZ-UHFFFAOYSA-N 2 2 356.390 0.783 20 0 FCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(NCc3nnn4c3C[NH2+]CCC4)c12 ZINC001162979349 1223222858 /nfs/dbraw/zinc/22/28/58/1223222858.db2.gz OXCSWHIPNCYJKO-UHFFFAOYSA-N 2 2 355.402 0.975 20 0 FCADLP Cc1ncc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)o1 ZINC001162995907 1223223622 /nfs/dbraw/zinc/22/36/22/1223223622.db2.gz JLJRQISCASOAQO-WBVHZDCISA-N 2 2 366.462 0.459 20 0 FCADLP c1cn(Cc2noc3c2CN(c2ncnc4c2CC[NH2+]CC4)CC3)c[nH+]1 ZINC001165548654 1223248513 /nfs/dbraw/zinc/24/85/13/1223248513.db2.gz ZGSSMOMLOZVYTL-UHFFFAOYSA-N 2 2 351.414 0.960 20 0 FCADLP CCc1nc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001165711195 1223254375 /nfs/dbraw/zinc/25/43/75/1223254375.db2.gz INDHGAWYGBNILI-ZIAGYGMSSA-N 2 2 365.478 0.727 20 0 FCADLP CCc1nc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)no1 ZINC001165711195 1223254377 /nfs/dbraw/zinc/25/43/77/1223254377.db2.gz INDHGAWYGBNILI-ZIAGYGMSSA-N 2 2 365.478 0.727 20 0 FCADLP Cn1cc(N2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)c[nH+]4)C[C@@H]3C2=O)cn1 ZINC001166348775 1223275329 /nfs/dbraw/zinc/27/53/29/1223275329.db2.gz BOZIPIPNOFQYGT-YOEHRIQHSA-N 2 2 367.457 0.324 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001205194989 1223315349 /nfs/dbraw/zinc/31/53/49/1223315349.db2.gz GTXYCCXYTLHCMS-BMGDILEWSA-N 2 2 358.442 0.407 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001205194989 1223315352 /nfs/dbraw/zinc/31/53/52/1223315352.db2.gz GTXYCCXYTLHCMS-BMGDILEWSA-N 2 2 358.442 0.407 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205439876 1223323544 /nfs/dbraw/zinc/32/35/44/1223323544.db2.gz OUMVGKFVBPVZOM-JKSUJKDBSA-N 2 2 359.405 0.422 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC(C[NH2+]CCCO)CC1 ZINC001205741623 1223336742 /nfs/dbraw/zinc/33/67/42/1223336742.db2.gz ODKJNYQTQXKOHE-MSOLQXFVSA-N 2 2 369.506 0.077 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206585669 1223362117 /nfs/dbraw/zinc/36/21/17/1223362117.db2.gz ARDSSIPQODDEEX-DJIMGWMZSA-N 2 2 359.474 0.229 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206585669 1223362122 /nfs/dbraw/zinc/36/21/22/1223362122.db2.gz ARDSSIPQODDEEX-DJIMGWMZSA-N 2 2 359.474 0.229 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206585669 1223362124 /nfs/dbraw/zinc/36/21/24/1223362124.db2.gz ARDSSIPQODDEEX-DJIMGWMZSA-N 2 2 359.474 0.229 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206585669 1223362125 /nfs/dbraw/zinc/36/21/25/1223362125.db2.gz ARDSSIPQODDEEX-DJIMGWMZSA-N 2 2 359.474 0.229 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955041 1223394553 /nfs/dbraw/zinc/39/45/53/1223394553.db2.gz HURXPBKGJWZQIV-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955041 1223394558 /nfs/dbraw/zinc/39/45/58/1223394558.db2.gz HURXPBKGJWZQIV-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955041 1223394561 /nfs/dbraw/zinc/39/45/61/1223394561.db2.gz HURXPBKGJWZQIV-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955041 1223394566 /nfs/dbraw/zinc/39/45/66/1223394566.db2.gz HURXPBKGJWZQIV-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001207540945 1223453178 /nfs/dbraw/zinc/45/31/78/1223453178.db2.gz MGBTVOJDEVIKHO-YUELXQCFSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001207540945 1223453183 /nfs/dbraw/zinc/45/31/83/1223453183.db2.gz MGBTVOJDEVIKHO-YUELXQCFSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001207540945 1223453186 /nfs/dbraw/zinc/45/31/86/1223453186.db2.gz MGBTVOJDEVIKHO-YUELXQCFSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001207540945 1223453189 /nfs/dbraw/zinc/45/31/89/1223453189.db2.gz MGBTVOJDEVIKHO-YUELXQCFSA-N 2 2 365.478 0.025 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545455 1223454639 /nfs/dbraw/zinc/45/46/39/1223454639.db2.gz WNMITHUWHOKDCN-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545455 1223454641 /nfs/dbraw/zinc/45/46/41/1223454641.db2.gz WNMITHUWHOKDCN-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)on1 ZINC001207547533 1223455388 /nfs/dbraw/zinc/45/53/88/1223455388.db2.gz ZZPAVMYTLQRSFP-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)on1 ZINC001207547533 1223455390 /nfs/dbraw/zinc/45/53/90/1223455390.db2.gz ZZPAVMYTLQRSFP-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001207686667 1223470608 /nfs/dbraw/zinc/47/06/08/1223470608.db2.gz JYRAIABYICMOHM-MUIFIZLQSA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001207686667 1223470612 /nfs/dbraw/zinc/47/06/12/1223470612.db2.gz JYRAIABYICMOHM-MUIFIZLQSA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001207686667 1223470616 /nfs/dbraw/zinc/47/06/16/1223470616.db2.gz JYRAIABYICMOHM-MUIFIZLQSA-N 2 2 366.506 0.153 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001207686667 1223470624 /nfs/dbraw/zinc/47/06/24/1223470624.db2.gz JYRAIABYICMOHM-MUIFIZLQSA-N 2 2 366.506 0.153 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208008515 1223505587 /nfs/dbraw/zinc/50/55/87/1223505587.db2.gz WEDATYUKAMJONB-VNQPRFMTSA-N 2 2 365.478 0.169 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208008515 1223505592 /nfs/dbraw/zinc/50/55/92/1223505592.db2.gz WEDATYUKAMJONB-VNQPRFMTSA-N 2 2 365.478 0.169 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001208004898 1223505699 /nfs/dbraw/zinc/50/56/99/1223505699.db2.gz JJCNEFIZNIKJEP-RHSMWYFYSA-N 2 2 370.457 0.339 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001208004898 1223505701 /nfs/dbraw/zinc/50/57/01/1223505701.db2.gz JJCNEFIZNIKJEP-RHSMWYFYSA-N 2 2 370.457 0.339 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061841 1223511179 /nfs/dbraw/zinc/51/11/79/1223511179.db2.gz QDXSMFDBVNNHRQ-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061841 1223511185 /nfs/dbraw/zinc/51/11/85/1223511185.db2.gz QDXSMFDBVNNHRQ-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364844 1223535719 /nfs/dbraw/zinc/53/57/19/1223535719.db2.gz HURVNYXVYHHNOC-RBSFLKMASA-N 2 2 362.478 0.801 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364844 1223535724 /nfs/dbraw/zinc/53/57/24/1223535724.db2.gz HURVNYXVYHHNOC-RBSFLKMASA-N 2 2 362.478 0.801 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445141 1223546003 /nfs/dbraw/zinc/54/60/03/1223546003.db2.gz TTXBOTKDXFWLRP-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445141 1223546007 /nfs/dbraw/zinc/54/60/07/1223546007.db2.gz TTXBOTKDXFWLRP-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615370 1223563974 /nfs/dbraw/zinc/56/39/74/1223563974.db2.gz WBYFYIOLDJWRRD-MWDXBVQZSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615370 1223563978 /nfs/dbraw/zinc/56/39/78/1223563978.db2.gz WBYFYIOLDJWRRD-MWDXBVQZSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615370 1223563982 /nfs/dbraw/zinc/56/39/82/1223563982.db2.gz WBYFYIOLDJWRRD-MWDXBVQZSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@@H]2CCCO[C@@H]21 ZINC001208615370 1223563985 /nfs/dbraw/zinc/56/39/85/1223563985.db2.gz WBYFYIOLDJWRRD-MWDXBVQZSA-N 2 2 361.490 0.724 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208677183 1223569211 /nfs/dbraw/zinc/56/92/11/1223569211.db2.gz XCAJEVUVQAKIEG-SOLBZPMBSA-N 2 2 360.502 0.732 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208677183 1223569215 /nfs/dbraw/zinc/56/92/15/1223569215.db2.gz XCAJEVUVQAKIEG-SOLBZPMBSA-N 2 2 360.502 0.732 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208677183 1223569217 /nfs/dbraw/zinc/56/92/17/1223569217.db2.gz XCAJEVUVQAKIEG-SOLBZPMBSA-N 2 2 360.502 0.732 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208677183 1223569222 /nfs/dbraw/zinc/56/92/22/1223569222.db2.gz XCAJEVUVQAKIEG-SOLBZPMBSA-N 2 2 360.502 0.732 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001208721612 1223572563 /nfs/dbraw/zinc/57/25/63/1223572563.db2.gz GDHUAOSSADTHFL-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001208721612 1223572566 /nfs/dbraw/zinc/57/25/66/1223572566.db2.gz GDHUAOSSADTHFL-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506486 1223626498 /nfs/dbraw/zinc/62/64/98/1223626498.db2.gz MLNKMHMNCAPMGS-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001209506486 1223626499 /nfs/dbraw/zinc/62/64/99/1223626499.db2.gz MLNKMHMNCAPMGS-NVXWUHKLSA-N 2 2 362.474 0.749 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001209643301 1223636416 /nfs/dbraw/zinc/63/64/16/1223636416.db2.gz XRZPPGAFUYKDPZ-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C ZINC001209643301 1223636419 /nfs/dbraw/zinc/63/64/19/1223636419.db2.gz XRZPPGAFUYKDPZ-ZIAGYGMSSA-N 2 2 369.510 0.389 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001209699795 1223642581 /nfs/dbraw/zinc/64/25/81/1223642581.db2.gz NOEVTGNRTISRQK-ARFHVFGLSA-N 2 2 359.474 0.630 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734049 1223645998 /nfs/dbraw/zinc/64/59/98/1223645998.db2.gz KUXKSOFANPRDDQ-MJGOQNOKSA-N 2 2 360.458 0.724 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001209734049 1223645999 /nfs/dbraw/zinc/64/59/99/1223645999.db2.gz KUXKSOFANPRDDQ-MJGOQNOKSA-N 2 2 360.458 0.724 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001210250789 1223677940 /nfs/dbraw/zinc/67/79/40/1223677940.db2.gz DGNLYTDENXDROZ-RHSMWYFYSA-N 2 2 359.430 0.326 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001210250789 1223677942 /nfs/dbraw/zinc/67/79/42/1223677942.db2.gz DGNLYTDENXDROZ-RHSMWYFYSA-N 2 2 359.430 0.326 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298177 1223681615 /nfs/dbraw/zinc/68/16/15/1223681615.db2.gz LQZDJIFAMFCXAH-HLLBOEOZSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210298177 1223681618 /nfs/dbraw/zinc/68/16/18/1223681618.db2.gz LQZDJIFAMFCXAH-HLLBOEOZSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210298177 1223681624 /nfs/dbraw/zinc/68/16/24/1223681624.db2.gz LQZDJIFAMFCXAH-HLLBOEOZSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210298177 1223681631 /nfs/dbraw/zinc/68/16/31/1223681631.db2.gz LQZDJIFAMFCXAH-HLLBOEOZSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210724532 1223704759 /nfs/dbraw/zinc/70/47/59/1223704759.db2.gz YQKAQJRXUKJETH-HLLBOEOZSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210724532 1223704764 /nfs/dbraw/zinc/70/47/64/1223704764.db2.gz YQKAQJRXUKJETH-HLLBOEOZSA-N 2 2 361.490 0.706 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001210717976 1223704867 /nfs/dbraw/zinc/70/48/67/1223704867.db2.gz OGWVFNLRUXCSIF-OIISXLGYSA-N 2 2 361.490 0.799 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001210717976 1223704869 /nfs/dbraw/zinc/70/48/69/1223704869.db2.gz OGWVFNLRUXCSIF-OIISXLGYSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211434052 1223741583 /nfs/dbraw/zinc/74/15/83/1223741583.db2.gz ZLQUXGCPWXNDBF-HUUCEWRRSA-N 2 2 361.446 0.249 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211434052 1223741585 /nfs/dbraw/zinc/74/15/85/1223741585.db2.gz ZLQUXGCPWXNDBF-HUUCEWRRSA-N 2 2 361.446 0.249 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203486 1223767227 /nfs/dbraw/zinc/76/72/27/1223767227.db2.gz SUUSVSCHMYHPJI-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203486 1223767229 /nfs/dbraw/zinc/76/72/29/1223767229.db2.gz SUUSVSCHMYHPJI-HZPDHXFCSA-N 2 2 360.462 0.144 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221374 1223770296 /nfs/dbraw/zinc/77/02/96/1223770296.db2.gz BQXQRPAQGYOLLC-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221374 1223770299 /nfs/dbraw/zinc/77/02/99/1223770299.db2.gz BQXQRPAQGYOLLC-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219464 1223770511 /nfs/dbraw/zinc/77/05/11/1223770511.db2.gz UCFKGKNGWWTCIC-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219464 1223770512 /nfs/dbraw/zinc/77/05/12/1223770512.db2.gz UCFKGKNGWWTCIC-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001213219464 1223770515 /nfs/dbraw/zinc/77/05/15/1223770515.db2.gz UCFKGKNGWWTCIC-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001213219464 1223770517 /nfs/dbraw/zinc/77/05/17/1223770517.db2.gz UCFKGKNGWWTCIC-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239552 1223775078 /nfs/dbraw/zinc/77/50/78/1223775078.db2.gz PSDWBCQUHJFLIZ-BRWVUGGUSA-N 2 2 368.478 0.122 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239552 1223775080 /nfs/dbraw/zinc/77/50/80/1223775080.db2.gz PSDWBCQUHJFLIZ-BRWVUGGUSA-N 2 2 368.478 0.122 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)n1 ZINC001213340165 1223788165 /nfs/dbraw/zinc/78/81/65/1223788165.db2.gz TVSGFKLLXSPYQS-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)n1 ZINC001213340165 1223788168 /nfs/dbraw/zinc/78/81/68/1223788168.db2.gz TVSGFKLLXSPYQS-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369531 1223791017 /nfs/dbraw/zinc/79/10/17/1223791017.db2.gz UKROGHCEJPRJBJ-FVQBIDKESA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369531 1223791019 /nfs/dbraw/zinc/79/10/19/1223791019.db2.gz UKROGHCEJPRJBJ-FVQBIDKESA-N 2 2 368.522 0.447 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](OC)C1 ZINC001213370890 1223791062 /nfs/dbraw/zinc/79/10/62/1223791062.db2.gz OTSOWFQAYCWZIH-GVDBMIGSSA-N 2 2 365.478 0.463 20 0 FCADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](OC)C1 ZINC001213370890 1223791067 /nfs/dbraw/zinc/79/10/67/1223791067.db2.gz OTSOWFQAYCWZIH-GVDBMIGSSA-N 2 2 365.478 0.463 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](OC)C1 ZINC001213370890 1223791071 /nfs/dbraw/zinc/79/10/71/1223791071.db2.gz OTSOWFQAYCWZIH-GVDBMIGSSA-N 2 2 365.478 0.463 20 0 FCADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](OC)C1 ZINC001213370890 1223791073 /nfs/dbraw/zinc/79/10/73/1223791073.db2.gz OTSOWFQAYCWZIH-GVDBMIGSSA-N 2 2 365.478 0.463 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446377 1223800012 /nfs/dbraw/zinc/80/00/12/1223800012.db2.gz JXXOWZJBMWGWQX-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446377 1223800015 /nfs/dbraw/zinc/80/00/15/1223800015.db2.gz JXXOWZJBMWGWQX-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446377 1223800016 /nfs/dbraw/zinc/80/00/16/1223800016.db2.gz JXXOWZJBMWGWQX-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446377 1223800019 /nfs/dbraw/zinc/80/00/19/1223800019.db2.gz JXXOWZJBMWGWQX-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449343 1223800041 /nfs/dbraw/zinc/80/00/41/1223800041.db2.gz KYDRLWJKIRTPOF-FVQBIDKESA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449343 1223800043 /nfs/dbraw/zinc/80/00/43/1223800043.db2.gz KYDRLWJKIRTPOF-FVQBIDKESA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213449343 1223800044 /nfs/dbraw/zinc/80/00/44/1223800044.db2.gz KYDRLWJKIRTPOF-FVQBIDKESA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213449343 1223800047 /nfs/dbraw/zinc/80/00/47/1223800047.db2.gz KYDRLWJKIRTPOF-FVQBIDKESA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446924 1223800163 /nfs/dbraw/zinc/80/01/63/1223800163.db2.gz ZYJNLGWZLHWXBZ-HZPDHXFCSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446924 1223800165 /nfs/dbraw/zinc/80/01/65/1223800165.db2.gz ZYJNLGWZLHWXBZ-HZPDHXFCSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446924 1223800166 /nfs/dbraw/zinc/80/01/66/1223800166.db2.gz ZYJNLGWZLHWXBZ-HZPDHXFCSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446924 1223800168 /nfs/dbraw/zinc/80/01/68/1223800168.db2.gz ZYJNLGWZLHWXBZ-HZPDHXFCSA-N 2 2 370.538 0.647 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001213528829 1223809894 /nfs/dbraw/zinc/80/98/94/1223809894.db2.gz DGTAMSJGRWTVPB-HZPDHXFCSA-N 2 2 368.478 0.221 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001213528829 1223809896 /nfs/dbraw/zinc/80/98/96/1223809896.db2.gz DGTAMSJGRWTVPB-HZPDHXFCSA-N 2 2 368.478 0.221 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526550 1223810057 /nfs/dbraw/zinc/81/00/57/1223810057.db2.gz PXTNZKNHZCUVAO-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526550 1223810059 /nfs/dbraw/zinc/81/00/59/1223810059.db2.gz PXTNZKNHZCUVAO-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578374 1223817001 /nfs/dbraw/zinc/81/70/01/1223817001.db2.gz NNIFRWKZQYFXMX-BZUAXINKSA-N 2 2 363.462 0.018 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578374 1223817004 /nfs/dbraw/zinc/81/70/04/1223817004.db2.gz NNIFRWKZQYFXMX-BZUAXINKSA-N 2 2 363.462 0.018 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC)C(C)C ZINC001213593297 1223820043 /nfs/dbraw/zinc/82/00/43/1223820043.db2.gz SZXHVPYPYXVSLA-NUJGCVRESA-N 2 2 370.538 0.693 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC)C(C)C ZINC001213593297 1223820044 /nfs/dbraw/zinc/82/00/44/1223820044.db2.gz SZXHVPYPYXVSLA-NUJGCVRESA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213718872 1223839199 /nfs/dbraw/zinc/83/91/99/1223839199.db2.gz DSEUHKUXTAKUIS-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213718872 1223839201 /nfs/dbraw/zinc/83/92/01/1223839201.db2.gz DSEUHKUXTAKUIS-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001213718872 1223839202 /nfs/dbraw/zinc/83/92/02/1223839202.db2.gz DSEUHKUXTAKUIS-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001213718872 1223839205 /nfs/dbraw/zinc/83/92/05/1223839205.db2.gz DSEUHKUXTAKUIS-BRWVUGGUSA-N 2 2 366.506 0.012 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747548 1223843282 /nfs/dbraw/zinc/84/32/82/1223843282.db2.gz MCGIKSZKBGCMHY-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747548 1223843285 /nfs/dbraw/zinc/84/32/85/1223843285.db2.gz MCGIKSZKBGCMHY-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213757341 1223844672 /nfs/dbraw/zinc/84/46/72/1223844672.db2.gz DRWHTALLCMFOIF-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213757341 1223844674 /nfs/dbraw/zinc/84/46/74/1223844674.db2.gz DRWHTALLCMFOIF-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213757341 1223844677 /nfs/dbraw/zinc/84/46/77/1223844677.db2.gz DRWHTALLCMFOIF-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(CC)CC)C[C@H]1OC ZINC001213764739 1223845857 /nfs/dbraw/zinc/84/58/57/1223845857.db2.gz AIMHBKIREXLFIC-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(CC)CC)C[C@H]1OC ZINC001213764739 1223845858 /nfs/dbraw/zinc/84/58/58/1223845858.db2.gz AIMHBKIREXLFIC-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(CC)CC)C[C@H]1OC ZINC001213764739 1223845859 /nfs/dbraw/zinc/84/58/59/1223845859.db2.gz AIMHBKIREXLFIC-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(CC)CC)C[C@H]1OC ZINC001213764739 1223845863 /nfs/dbraw/zinc/84/58/63/1223845863.db2.gz AIMHBKIREXLFIC-IAGOWNOFSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767432 1223846888 /nfs/dbraw/zinc/84/68/88/1223846888.db2.gz SPXZGCATTPSTCK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767432 1223846889 /nfs/dbraw/zinc/84/68/89/1223846889.db2.gz SPXZGCATTPSTCK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767432 1223846892 /nfs/dbraw/zinc/84/68/92/1223846892.db2.gz SPXZGCATTPSTCK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213767432 1223846893 /nfs/dbraw/zinc/84/68/93/1223846893.db2.gz SPXZGCATTPSTCK-BRWVUGGUSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)C1CCC1 ZINC001213802191 1223852202 /nfs/dbraw/zinc/85/22/02/1223852202.db2.gz NNKOKVAVOOQJMY-FGTMMUONSA-N 2 2 364.490 0.983 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@H](OC)C2)C1 ZINC001213802514 1223852768 /nfs/dbraw/zinc/85/27/68/1223852768.db2.gz VDUOKTKSQHSKCU-XAWIXRBMSA-N 2 2 364.490 0.983 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)[C@H](OC)C2)C1 ZINC001213802514 1223852769 /nfs/dbraw/zinc/85/27/69/1223852769.db2.gz VDUOKTKSQHSKCU-XAWIXRBMSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916703 1223871196 /nfs/dbraw/zinc/87/11/96/1223871196.db2.gz FRWREEKKSHOFDZ-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916703 1223871199 /nfs/dbraw/zinc/87/11/99/1223871199.db2.gz FRWREEKKSHOFDZ-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213920022 1223872793 /nfs/dbraw/zinc/87/27/93/1223872793.db2.gz NGUHUVNDPMTBLU-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213920022 1223872795 /nfs/dbraw/zinc/87/27/95/1223872795.db2.gz NGUHUVNDPMTBLU-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929581 1223874288 /nfs/dbraw/zinc/87/42/88/1223874288.db2.gz CGMQCMNLHSZJOW-USXIJHARSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929581 1223874289 /nfs/dbraw/zinc/87/42/89/1223874289.db2.gz CGMQCMNLHSZJOW-USXIJHARSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929581 1223874291 /nfs/dbraw/zinc/87/42/91/1223874291.db2.gz CGMQCMNLHSZJOW-USXIJHARSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929581 1223874293 /nfs/dbraw/zinc/87/42/93/1223874293.db2.gz CGMQCMNLHSZJOW-USXIJHARSA-N 2 2 370.538 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214811519 1223944302 /nfs/dbraw/zinc/94/43/02/1223944302.db2.gz APYONSSLJZWYKN-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001214811519 1223944305 /nfs/dbraw/zinc/94/43/05/1223944305.db2.gz APYONSSLJZWYKN-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214987991 1223961684 /nfs/dbraw/zinc/96/16/84/1223961684.db2.gz DWWYKLBUYGKVDL-BFYDXBDKSA-N 2 2 361.490 0.749 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001215005922 1223963551 /nfs/dbraw/zinc/96/35/51/1223963551.db2.gz LFNVBMYAPYVETG-QLFBSQMISA-N 2 2 361.490 0.797 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215006451 1223963688 /nfs/dbraw/zinc/96/36/88/1223963688.db2.gz WUFGXSZVAHVSEQ-VNQPRFMTSA-N 2 2 359.474 0.408 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024742 1223965021 /nfs/dbraw/zinc/96/50/21/1223965021.db2.gz PWVLXIMBQNYMHB-XJKCOSOUSA-N 2 2 365.478 0.701 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215024700 1223965132 /nfs/dbraw/zinc/96/51/32/1223965132.db2.gz OZHOSKPQABUMGJ-MLGOLLRUSA-N 2 2 363.462 0.313 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685719 1224012363 /nfs/dbraw/zinc/01/23/63/1224012363.db2.gz UXNZBMWZTUDKFF-YRGRVCCFSA-N 2 2 364.450 0.011 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n(C)n1 ZINC001215685148 1224012622 /nfs/dbraw/zinc/01/26/22/1224012622.db2.gz NDJJZOSZOMCIJR-BXUZGUMPSA-N 2 2 359.434 0.069 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215704940 1224013396 /nfs/dbraw/zinc/01/33/96/1224013396.db2.gz DWXSQZADEIDDPU-OWCLPIDISA-N 2 2 364.494 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ncccn1 ZINC001215934194 1224025398 /nfs/dbraw/zinc/02/53/98/1224025398.db2.gz HOFXXNFGNVPXKM-IAGOWNOFSA-N 2 2 361.490 0.916 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216366860 1224046611 /nfs/dbraw/zinc/04/66/11/1224046611.db2.gz TWDPENOVYJYQFF-XJKCOSOUSA-N 2 2 356.430 0.452 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001216384126 1224048244 /nfs/dbraw/zinc/04/82/44/1224048244.db2.gz YZMCBWUBKZBFIA-CZUORRHYSA-N 2 2 359.430 0.309 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216631228 1224059383 /nfs/dbraw/zinc/05/93/83/1224059383.db2.gz YYIKVTKWSVUUDO-BPQIPLTHSA-N 2 2 366.506 0.823 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC001216993409 1224083148 /nfs/dbraw/zinc/08/31/48/1224083148.db2.gz DGOOCZLIWLDYEA-BZUAXINKSA-N 2 2 357.462 0.879 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001216981199 1224083613 /nfs/dbraw/zinc/08/36/13/1224083613.db2.gz XMARPPZXIMUFKC-GDBMZVCRSA-N 2 2 357.462 0.279 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001216981199 1224083615 /nfs/dbraw/zinc/08/36/15/1224083615.db2.gz XMARPPZXIMUFKC-GDBMZVCRSA-N 2 2 357.462 0.279 20 0 FCADLP COc1ccccc1NC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001216999824 1224083866 /nfs/dbraw/zinc/08/38/66/1224083866.db2.gz BXCPQYKDTYSISP-GDBMZVCRSA-N 2 2 371.441 0.967 20 0 FCADLP O=C1COCC2(C[NH+](C[C@@H](O)c3ccccc3)C2)N1CCn1cc[nH+]c1 ZINC001277722470 1226174536 /nfs/dbraw/zinc/17/45/36/1226174536.db2.gz LJVXUJHXHRSDNP-QGZVFWFLSA-N 2 2 356.426 0.530 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986770468 1248992579 /nfs/dbraw/zinc/99/25/79/1248992579.db2.gz FZNQVDOIIPEYMA-CABCVRRESA-N 2 2 357.458 0.355 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000987515228 1249069434 /nfs/dbraw/zinc/06/94/34/1249069434.db2.gz BGNKNKONUPDJER-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000987515228 1249069442 /nfs/dbraw/zinc/06/94/42/1249069442.db2.gz BGNKNKONUPDJER-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000987515228 1249069450 /nfs/dbraw/zinc/06/94/50/1249069450.db2.gz BGNKNKONUPDJER-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC000988094685 1249338308 /nfs/dbraw/zinc/33/83/08/1249338308.db2.gz ZDEZZLOPTVMMBW-YCPHGPKFSA-N 2 2 360.458 0.690 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC000988094685 1249338316 /nfs/dbraw/zinc/33/83/16/1249338316.db2.gz ZDEZZLOPTVMMBW-YCPHGPKFSA-N 2 2 360.458 0.690 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1)[NH+](C)C ZINC000993199797 1249373632 /nfs/dbraw/zinc/37/36/32/1249373632.db2.gz CNGIAHUHSKYAEG-URLQWDBASA-N 2 2 361.490 0.908 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CCC1 ZINC000993316060 1249461184 /nfs/dbraw/zinc/46/11/84/1249461184.db2.gz QOVLZWAWLQTGTE-IFXJQAMLSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CCC1 ZINC000993316060 1249461187 /nfs/dbraw/zinc/46/11/87/1249461187.db2.gz QOVLZWAWLQTGTE-IFXJQAMLSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993435473 1249532906 /nfs/dbraw/zinc/53/29/06/1249532906.db2.gz CPYFUUXWYRRRJA-JTDSTZFVSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993435473 1249532916 /nfs/dbraw/zinc/53/29/16/1249532916.db2.gz CPYFUUXWYRRRJA-JTDSTZFVSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000993579590 1249728837 /nfs/dbraw/zinc/72/88/37/1249728837.db2.gz WQUSYWVLNCDAPD-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000993579590 1249728847 /nfs/dbraw/zinc/72/88/47/1249728847.db2.gz WQUSYWVLNCDAPD-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000993582875 1249735567 /nfs/dbraw/zinc/73/55/67/1249735567.db2.gz CXGSVUCSDMFRHC-BZUAXINKSA-N 2 2 359.474 0.891 20 0 FCADLP CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000993582875 1249735575 /nfs/dbraw/zinc/73/55/75/1249735575.db2.gz CXGSVUCSDMFRHC-BZUAXINKSA-N 2 2 359.474 0.891 20 0 FCADLP CC(C)=CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000993584789 1249738070 /nfs/dbraw/zinc/73/80/70/1249738070.db2.gz WCZFPGGKRFJLSS-HZPDHXFCSA-N 2 2 359.474 0.893 20 0 FCADLP CC(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000993586154 1249742445 /nfs/dbraw/zinc/74/24/45/1249742445.db2.gz GNKMNLYPQKHXCT-HZPDHXFCSA-N 2 2 361.490 0.829 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(C)F ZINC000993592547 1249756065 /nfs/dbraw/zinc/75/60/65/1249756065.db2.gz PYCJCJJYFNXHTP-MGPQQGTHSA-N 2 2 365.453 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C(C)(C)F ZINC000993592547 1249756076 /nfs/dbraw/zinc/75/60/76/1249756076.db2.gz PYCJCJJYFNXHTP-MGPQQGTHSA-N 2 2 365.453 0.673 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C=C1CCC1 ZINC000993605820 1249791635 /nfs/dbraw/zinc/79/16/35/1249791635.db2.gz IYVOVRSOQFAQTL-BRWVUGGUSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C=C1CCC1 ZINC000993605820 1249791647 /nfs/dbraw/zinc/79/16/47/1249791647.db2.gz IYVOVRSOQFAQTL-BRWVUGGUSA-N 2 2 371.485 0.893 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C3CC3)C2)CC[N@@H+]1C ZINC000993608301 1249801332 /nfs/dbraw/zinc/80/13/32/1249801332.db2.gz QCDROBHTKKJAGA-YLFCFFPRSA-N 2 2 373.501 0.971 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C3CC3)C2)CC[N@H+]1C ZINC000993608301 1249801353 /nfs/dbraw/zinc/80/13/53/1249801353.db2.gz QCDROBHTKKJAGA-YLFCFFPRSA-N 2 2 373.501 0.971 20 0 FCADLP CC(=O)N[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1c[nH+]cn1C ZINC000993616278 1249832158 /nfs/dbraw/zinc/83/21/58/1249832158.db2.gz VOVQTDSELWISNF-HUUCEWRRSA-N 2 2 356.430 0.625 20 0 FCADLP CC(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1c[nH+]cn1C ZINC000993615552 1249828004 /nfs/dbraw/zinc/82/80/04/1249828004.db2.gz AEUUIUCFIJCTTL-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP 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C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001026916783 1253849051 /nfs/dbraw/zinc/84/90/51/1253849051.db2.gz OHEQNOVMYGYFLM-UMVBOHGHSA-N 2 2 363.462 0.604 20 0 FCADLP CCc1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767365 1253872332 /nfs/dbraw/zinc/87/23/32/1253872332.db2.gz PWWHYVJZBUZXIV-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP CCc1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767365 1253872348 /nfs/dbraw/zinc/87/23/48/1253872348.db2.gz PWWHYVJZBUZXIV-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP CCc1noc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767365 1253872360 /nfs/dbraw/zinc/87/23/60/1253872360.db2.gz PWWHYVJZBUZXIV-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP CCc1noc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767365 1253872369 /nfs/dbraw/zinc/87/23/69/1253872369.db2.gz PWWHYVJZBUZXIV-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CCCCC3)C2)O1 ZINC001031765707 1253892772 /nfs/dbraw/zinc/89/27/72/1253892772.db2.gz MRHJPHXOUNMKQH-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CCCCC3)C2)O1 ZINC001031765707 1253892785 /nfs/dbraw/zinc/89/27/85/1253892785.db2.gz MRHJPHXOUNMKQH-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)COC4)C2)O1 ZINC001031769821 1253894759 /nfs/dbraw/zinc/89/47/59/1253894759.db2.gz QOGRCLKJYFRQPU-AUUYWEPGSA-N 2 2 359.470 0.984 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)COC4)C2)O1 ZINC001031769821 1253894779 /nfs/dbraw/zinc/89/47/79/1253894779.db2.gz QOGRCLKJYFRQPU-AUUYWEPGSA-N 2 2 359.470 0.984 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994457 1253913739 /nfs/dbraw/zinc/91/37/39/1253913739.db2.gz ZBRAYCAHRFVQGX-FGTMMUONSA-N 2 2 356.470 0.268 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994457 1253913744 /nfs/dbraw/zinc/91/37/44/1253913744.db2.gz ZBRAYCAHRFVQGX-FGTMMUONSA-N 2 2 356.470 0.268 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccnn1C ZINC001032636686 1253936917 /nfs/dbraw/zinc/93/69/17/1253936917.db2.gz QUDNKAORDPJNGM-MWDXBVQZSA-N 2 2 354.458 0.785 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccnn1C ZINC001032636686 1253936934 /nfs/dbraw/zinc/93/69/34/1253936934.db2.gz QUDNKAORDPJNGM-MWDXBVQZSA-N 2 2 354.458 0.785 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001519903514 1265798074 /nfs/dbraw/zinc/79/80/74/1265798074.db2.gz ZJCCKSOKKRTUEB-QAPCUYQASA-N 2 2 367.538 0.563 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001519903514 1265798078 /nfs/dbraw/zinc/79/80/78/1265798078.db2.gz ZJCCKSOKKRTUEB-QAPCUYQASA-N 2 2 367.538 0.563 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034275363 1253987095 /nfs/dbraw/zinc/98/70/95/1253987095.db2.gz YVRYYZPDFLAOBP-FHLIZLRMSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034275363 1253987116 /nfs/dbraw/zinc/98/71/16/1253987116.db2.gz YVRYYZPDFLAOBP-FHLIZLRMSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275363 1253987133 /nfs/dbraw/zinc/98/71/33/1253987133.db2.gz YVRYYZPDFLAOBP-FHLIZLRMSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034275363 1253987154 /nfs/dbraw/zinc/98/71/54/1253987154.db2.gz YVRYYZPDFLAOBP-FHLIZLRMSA-N 2 2 363.506 0.918 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCC3CCOCC3)CCO2)O1 ZINC001035426797 1254038924 /nfs/dbraw/zinc/03/89/24/1254038924.db2.gz ZBCTVSDJFXGSQU-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCC3CCOCC3)CCO2)O1 ZINC001035426797 1254038927 /nfs/dbraw/zinc/03/89/27/1254038927.db2.gz ZBCTVSDJFXGSQU-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCC3CCOCC3)CCO2)O1 ZINC001035426797 1254038930 /nfs/dbraw/zinc/03/89/30/1254038930.db2.gz ZBCTVSDJFXGSQU-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCC3CCOCC3)CCO2)O1 ZINC001035426797 1254038937 /nfs/dbraw/zinc/03/89/37/1254038937.db2.gz ZBCTVSDJFXGSQU-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035732792 1254061739 /nfs/dbraw/zinc/06/17/39/1254061739.db2.gz GVPXIAUQOQQSGA-OWCLPIDISA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035732792 1254061747 /nfs/dbraw/zinc/06/17/47/1254061747.db2.gz GVPXIAUQOQQSGA-OWCLPIDISA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001062186950 1254246072 /nfs/dbraw/zinc/24/60/72/1254246072.db2.gz RDIZKYGKRQCQIP-QLFBSQMISA-N 2 2 371.489 0.988 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001062186950 1254246083 /nfs/dbraw/zinc/24/60/83/1254246083.db2.gz RDIZKYGKRQCQIP-QLFBSQMISA-N 2 2 371.489 0.988 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001063660522 1254369274 /nfs/dbraw/zinc/36/92/74/1254369274.db2.gz DPQNTRYTFXWCGU-HUUCEWRRSA-N 2 2 370.457 0.884 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554103 1254680881 /nfs/dbraw/zinc/68/08/81/1254680881.db2.gz YJQKCKFICPAJCY-CGTJXYLNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554103 1254680899 /nfs/dbraw/zinc/68/08/99/1254680899.db2.gz YJQKCKFICPAJCY-CGTJXYLNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554103 1254680917 /nfs/dbraw/zinc/68/09/17/1254680917.db2.gz YJQKCKFICPAJCY-CGTJXYLNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2O)C1 ZINC001077554103 1254680930 /nfs/dbraw/zinc/68/09/30/1254680930.db2.gz YJQKCKFICPAJCY-CGTJXYLNSA-N 2 2 361.490 0.568 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565354 1254698134 /nfs/dbraw/zinc/69/81/34/1254698134.db2.gz FGLIJXXWBAEWPJ-BRWVUGGUSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565354 1254698148 /nfs/dbraw/zinc/69/81/48/1254698148.db2.gz FGLIJXXWBAEWPJ-BRWVUGGUSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565354 1254698160 /nfs/dbraw/zinc/69/81/60/1254698160.db2.gz FGLIJXXWBAEWPJ-BRWVUGGUSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565354 1254698172 /nfs/dbraw/zinc/69/81/72/1254698172.db2.gz FGLIJXXWBAEWPJ-BRWVUGGUSA-N 2 2 366.462 0.062 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)ccn1 ZINC001077613091 1254778166 /nfs/dbraw/zinc/77/81/66/1254778166.db2.gz YDUYHZZCQJTSQQ-IAGOWNOFSA-N 2 2 361.490 0.151 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)ccn1 ZINC001077613091 1254778185 /nfs/dbraw/zinc/77/81/85/1254778185.db2.gz YDUYHZZCQJTSQQ-IAGOWNOFSA-N 2 2 361.490 0.151 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001077656754 1254829596 /nfs/dbraw/zinc/82/95/96/1254829596.db2.gz XMXBHLVKXIMHAR-DJIMGWMZSA-N 2 2 362.474 0.808 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001077656754 1254829612 /nfs/dbraw/zinc/82/96/12/1254829612.db2.gz XMXBHLVKXIMHAR-DJIMGWMZSA-N 2 2 362.474 0.808 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675149 1254854812 /nfs/dbraw/zinc/85/48/12/1254854812.db2.gz CLCYPXNMLFSMBW-CSMYWGQOSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675149 1254854824 /nfs/dbraw/zinc/85/48/24/1254854824.db2.gz CLCYPXNMLFSMBW-CSMYWGQOSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675149 1254854833 /nfs/dbraw/zinc/85/48/33/1254854833.db2.gz CLCYPXNMLFSMBW-CSMYWGQOSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077675149 1254854844 /nfs/dbraw/zinc/85/48/44/1254854844.db2.gz CLCYPXNMLFSMBW-CSMYWGQOSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676795 1254858980 /nfs/dbraw/zinc/85/89/80/1254858980.db2.gz JWUHWMJROMYLDJ-DJIMGWMZSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676795 1254858991 /nfs/dbraw/zinc/85/89/91/1254858991.db2.gz JWUHWMJROMYLDJ-DJIMGWMZSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676795 1254858997 /nfs/dbraw/zinc/85/89/97/1254858997.db2.gz JWUHWMJROMYLDJ-DJIMGWMZSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676795 1254859007 /nfs/dbraw/zinc/85/90/07/1254859007.db2.gz JWUHWMJROMYLDJ-DJIMGWMZSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676796 1254860686 /nfs/dbraw/zinc/86/06/86/1254860686.db2.gz JWUHWMJROMYLDJ-USXIJHARSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676796 1254860695 /nfs/dbraw/zinc/86/06/95/1254860695.db2.gz JWUHWMJROMYLDJ-USXIJHARSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676796 1254860703 /nfs/dbraw/zinc/86/07/03/1254860703.db2.gz JWUHWMJROMYLDJ-USXIJHARSA-N 2 2 361.490 0.293 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001077676796 1254860710 /nfs/dbraw/zinc/86/07/10/1254860710.db2.gz JWUHWMJROMYLDJ-USXIJHARSA-N 2 2 361.490 0.293 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907040 1255087071 /nfs/dbraw/zinc/08/70/71/1255087071.db2.gz VEJRSKVLUFCPRF-QZTJIDSGSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907040 1255087080 /nfs/dbraw/zinc/08/70/80/1255087080.db2.gz VEJRSKVLUFCPRF-QZTJIDSGSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941514 1255113843 /nfs/dbraw/zinc/11/38/43/1255113843.db2.gz TVJWQBCDBDORTA-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941514 1255113845 /nfs/dbraw/zinc/11/38/45/1255113845.db2.gz TVJWQBCDBDORTA-BMGDILEWSA-N 2 2 371.441 0.469 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978887 1255142162 /nfs/dbraw/zinc/14/21/62/1255142162.db2.gz PYHIWERTYROEDL-IAGOWNOFSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978887 1255142167 /nfs/dbraw/zinc/14/21/67/1255142167.db2.gz PYHIWERTYROEDL-IAGOWNOFSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013083 1255168854 /nfs/dbraw/zinc/16/88/54/1255168854.db2.gz PULSQGNXUONZJD-HUUCEWRRSA-N 2 2 362.474 0.864 20 0 FCADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013083 1255168857 /nfs/dbraw/zinc/16/88/57/1255168857.db2.gz PULSQGNXUONZJD-HUUCEWRRSA-N 2 2 362.474 0.864 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)o1 ZINC001078017945 1255173747 /nfs/dbraw/zinc/17/37/47/1255173747.db2.gz GCHFHHGDRSEKER-GDBMZVCRSA-N 2 2 359.430 0.728 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)o1 ZINC001078017945 1255173753 /nfs/dbraw/zinc/17/37/53/1255173753.db2.gz GCHFHHGDRSEKER-GDBMZVCRSA-N 2 2 359.430 0.728 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174305 1255288769 /nfs/dbraw/zinc/28/87/69/1255288769.db2.gz HWWGKBQTGKCQIW-BZUAXINKSA-N 2 2 361.442 0.071 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174305 1255288775 /nfs/dbraw/zinc/28/87/75/1255288775.db2.gz HWWGKBQTGKCQIW-BZUAXINKSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174305 1255288782 /nfs/dbraw/zinc/28/87/82/1255288782.db2.gz HWWGKBQTGKCQIW-BZUAXINKSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]2O)C1 ZINC001078174305 1255288788 /nfs/dbraw/zinc/28/87/88/1255288788.db2.gz HWWGKBQTGKCQIW-BZUAXINKSA-N 2 2 361.442 0.071 20 0 FCADLP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078179208 1255293838 /nfs/dbraw/zinc/29/38/38/1255293838.db2.gz ZIECBBPBIRLIEN-CEXWTWQISA-N 2 2 361.486 0.540 20 0 FCADLP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078179208 1255293843 /nfs/dbraw/zinc/29/38/43/1255293843.db2.gz ZIECBBPBIRLIEN-CEXWTWQISA-N 2 2 361.486 0.540 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001078180003 1255295152 /nfs/dbraw/zinc/29/51/52/1255295152.db2.gz IRTQWPPKMJAMFJ-ARFHVFGLSA-N 2 2 361.442 0.084 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001078180003 1255295159 /nfs/dbraw/zinc/29/51/59/1255295159.db2.gz IRTQWPPKMJAMFJ-ARFHVFGLSA-N 2 2 361.442 0.084 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@H]1O ZINC001078182430 1255298369 /nfs/dbraw/zinc/29/83/69/1255298369.db2.gz VLKUBYQTQMWSEE-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@H]1O ZINC001078182430 1255298371 /nfs/dbraw/zinc/29/83/71/1255298371.db2.gz VLKUBYQTQMWSEE-QZTJIDSGSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001078183166 1255298844 /nfs/dbraw/zinc/29/88/44/1255298844.db2.gz CSORPURNCUHCNH-HZPDHXFCSA-N 2 2 358.446 0.014 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O ZINC001078183166 1255298849 /nfs/dbraw/zinc/29/88/49/1255298849.db2.gz CSORPURNCUHCNH-HZPDHXFCSA-N 2 2 358.446 0.014 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209903 1255325894 /nfs/dbraw/zinc/32/58/94/1255325894.db2.gz NWBGAXHUONJFRX-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209903 1255325903 /nfs/dbraw/zinc/32/59/03/1255325903.db2.gz NWBGAXHUONJFRX-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209903 1255325909 /nfs/dbraw/zinc/32/59/09/1255325909.db2.gz NWBGAXHUONJFRX-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C)C[C@H]2O)C1 ZINC001078209903 1255325917 /nfs/dbraw/zinc/32/59/17/1255325917.db2.gz NWBGAXHUONJFRX-KZNAEPCWSA-N 2 2 365.449 0.516 20 0 FCADLP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001078270920 1255375965 /nfs/dbraw/zinc/37/59/65/1255375965.db2.gz WZNQBWSQWWLVNX-FGTMMUONSA-N 2 2 358.442 0.340 20 0 FCADLP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001078270920 1255375972 /nfs/dbraw/zinc/37/59/72/1255375972.db2.gz WZNQBWSQWWLVNX-FGTMMUONSA-N 2 2 358.442 0.340 20 0 FCADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272224 1255376008 /nfs/dbraw/zinc/37/60/08/1255376008.db2.gz NLJIWWZXJGRMKK-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272224 1255376017 /nfs/dbraw/zinc/37/60/17/1255376017.db2.gz NLJIWWZXJGRMKK-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)o1 ZINC001078417701 1255410106 /nfs/dbraw/zinc/41/01/06/1255410106.db2.gz FRJNGUTWCNKCGX-BZUAXINKSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)o1 ZINC001078417701 1255410111 /nfs/dbraw/zinc/41/01/11/1255410111.db2.gz FRJNGUTWCNKCGX-BZUAXINKSA-N 2 2 366.462 0.409 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001079159378 1255462729 /nfs/dbraw/zinc/46/27/29/1255462729.db2.gz ZOFMKBFMPZLSJV-JKSUJKDBSA-N 2 2 359.405 0.551 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079212302 1255473637 /nfs/dbraw/zinc/47/36/37/1255473637.db2.gz TWMYDKUCUJZXHA-VBNZEHGJSA-N 2 2 359.405 0.480 20 0 FCADLP C[C@H](CC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21)n1cc[nH+]c1 ZINC001079263838 1255493558 /nfs/dbraw/zinc/49/35/58/1255493558.db2.gz NUNLXIOMZBLHGJ-IXDOHACOSA-N 2 2 362.474 0.766 20 0 FCADLP CO[C@H](C)C[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268031 1255494452 /nfs/dbraw/zinc/49/44/52/1255494452.db2.gz IJIWEKKWMSMWEI-OWCLPIDISA-N 2 2 362.474 0.927 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(CC[NH+](C[C@H](C)O)CC2)[C@H]2COC[C@H]21 ZINC001079271122 1255497486 /nfs/dbraw/zinc/49/74/86/1255497486.db2.gz HVHCWIMOHXAHLJ-JLJPHGGASA-N 2 2 362.474 0.581 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079274119 1255498170 /nfs/dbraw/zinc/49/81/70/1255498170.db2.gz HYWYSMQSHSEBOC-BBWFWOEESA-N 2 2 369.481 0.616 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079274119 1255498177 /nfs/dbraw/zinc/49/81/77/1255498177.db2.gz HYWYSMQSHSEBOC-BBWFWOEESA-N 2 2 369.481 0.616 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844794 1255629899 /nfs/dbraw/zinc/62/98/99/1255629899.db2.gz CBSGAQVYMQUWCX-QLFBSQMISA-N 2 2 364.494 0.023 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844794 1255629902 /nfs/dbraw/zinc/62/99/02/1255629902.db2.gz CBSGAQVYMQUWCX-QLFBSQMISA-N 2 2 364.494 0.023 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844794 1255629909 /nfs/dbraw/zinc/62/99/09/1255629909.db2.gz CBSGAQVYMQUWCX-QLFBSQMISA-N 2 2 364.494 0.023 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC001079844794 1255629914 /nfs/dbraw/zinc/62/99/14/1255629914.db2.gz CBSGAQVYMQUWCX-QLFBSQMISA-N 2 2 364.494 0.023 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846155 1255630823 /nfs/dbraw/zinc/63/08/23/1255630823.db2.gz BRDFISAGMGURRY-BMFZPTHFSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001079846155 1255630827 /nfs/dbraw/zinc/63/08/27/1255630827.db2.gz BRDFISAGMGURRY-BMFZPTHFSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982864 1255690956 /nfs/dbraw/zinc/69/09/56/1255690956.db2.gz YVZFWBARMXIFIZ-UWWQBHOKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982864 1255690966 /nfs/dbraw/zinc/69/09/66/1255690966.db2.gz YVZFWBARMXIFIZ-UWWQBHOKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052850 1255726209 /nfs/dbraw/zinc/72/62/09/1255726209.db2.gz QJNUQIQUQLAFKD-RHSMWYFYSA-N 2 2 371.441 0.243 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052850 1255726213 /nfs/dbraw/zinc/72/62/13/1255726213.db2.gz QJNUQIQUQLAFKD-RHSMWYFYSA-N 2 2 371.441 0.243 20 0 FCADLP CCN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001080168045 1255768649 /nfs/dbraw/zinc/76/86/49/1255768649.db2.gz MMVOEYYXDIVSHZ-GDBMZVCRSA-N 2 2 363.462 0.052 20 0 FCADLP CCN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001080168045 1255768652 /nfs/dbraw/zinc/76/86/52/1255768652.db2.gz MMVOEYYXDIVSHZ-GDBMZVCRSA-N 2 2 363.462 0.052 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080324791 1255840635 /nfs/dbraw/zinc/84/06/35/1255840635.db2.gz CSKLQILIXBTSRA-KYJSFNMBSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080324791 1255840648 /nfs/dbraw/zinc/84/06/48/1255840648.db2.gz CSKLQILIXBTSRA-KYJSFNMBSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324791 1255840662 /nfs/dbraw/zinc/84/06/62/1255840662.db2.gz CSKLQILIXBTSRA-KYJSFNMBSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324791 1255840674 /nfs/dbraw/zinc/84/06/74/1255840674.db2.gz CSKLQILIXBTSRA-KYJSFNMBSA-N 2 2 361.490 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449788 1255892664 /nfs/dbraw/zinc/89/26/64/1255892664.db2.gz ZIMCKPOUQVXIDR-ZXYWRSMDSA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001080449788 1255892674 /nfs/dbraw/zinc/89/26/74/1255892674.db2.gz ZIMCKPOUQVXIDR-ZXYWRSMDSA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001080449788 1255892686 /nfs/dbraw/zinc/89/26/86/1255892686.db2.gz ZIMCKPOUQVXIDR-ZXYWRSMDSA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001080449788 1255892698 /nfs/dbraw/zinc/89/26/98/1255892698.db2.gz ZIMCKPOUQVXIDR-ZXYWRSMDSA-N 2 2 368.497 0.914 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036981 1256156041 /nfs/dbraw/zinc/15/60/41/1256156041.db2.gz LNWYFADBYOPJRK-CXAGYDPISA-N 2 2 369.429 0.908 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036981 1256156047 /nfs/dbraw/zinc/15/60/47/1256156047.db2.gz LNWYFADBYOPJRK-CXAGYDPISA-N 2 2 369.429 0.908 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081111181 1256181340 /nfs/dbraw/zinc/18/13/40/1256181340.db2.gz JQCLDVIGGZKCCK-YESZJQIVSA-N 2 2 367.453 0.815 20 0 FCADLP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2ccccc2)C1=O ZINC001081234202 1256213818 /nfs/dbraw/zinc/21/38/18/1256213818.db2.gz ZHCWCTNRPMWDQL-RCCFBDPRSA-N 2 2 367.453 0.698 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481311 1256270420 /nfs/dbraw/zinc/27/04/20/1256270420.db2.gz DHVHDAFUMBYNMW-QRVBRYPASA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481311 1256270427 /nfs/dbraw/zinc/27/04/27/1256270427.db2.gz DHVHDAFUMBYNMW-QRVBRYPASA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481311 1256270432 /nfs/dbraw/zinc/27/04/32/1256270432.db2.gz DHVHDAFUMBYNMW-QRVBRYPASA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccc(C)cc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481311 1256270438 /nfs/dbraw/zinc/27/04/38/1256270438.db2.gz DHVHDAFUMBYNMW-QRVBRYPASA-N 2 2 361.486 0.684 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481482 1256271347 /nfs/dbraw/zinc/27/13/47/1256271347.db2.gz KBNWJKXQXMYQAV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481482 1256271349 /nfs/dbraw/zinc/27/13/49/1256271349.db2.gz KBNWJKXQXMYQAV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481482 1256271352 /nfs/dbraw/zinc/27/13/52/1256271352.db2.gz KBNWJKXQXMYQAV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)cc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481482 1256271358 /nfs/dbraw/zinc/27/13/58/1256271358.db2.gz KBNWJKXQXMYQAV-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668756 1256328939 /nfs/dbraw/zinc/32/89/39/1256328939.db2.gz UFSDTBLYRSDGKQ-ARFHVFGLSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001081668756 1256328941 /nfs/dbraw/zinc/32/89/41/1256328941.db2.gz UFSDTBLYRSDGKQ-ARFHVFGLSA-N 2 2 368.522 0.543 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001081691734 1256336541 /nfs/dbraw/zinc/33/65/41/1256336541.db2.gz NHPGHFJRMSXMGM-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001081691734 1256336545 /nfs/dbraw/zinc/33/65/45/1256336545.db2.gz NHPGHFJRMSXMGM-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001081691734 1256336549 /nfs/dbraw/zinc/33/65/49/1256336549.db2.gz NHPGHFJRMSXMGM-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](OC)C2)ccn1 ZINC001081691734 1256336555 /nfs/dbraw/zinc/33/65/55/1256336555.db2.gz NHPGHFJRMSXMGM-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081691522 1256336949 /nfs/dbraw/zinc/33/69/49/1256336949.db2.gz AUGXLSVZYGQSAQ-BNEJOLLZSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081691522 1256336952 /nfs/dbraw/zinc/33/69/52/1256336952.db2.gz AUGXLSVZYGQSAQ-BNEJOLLZSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081691522 1256336958 /nfs/dbraw/zinc/33/69/58/1256336958.db2.gz AUGXLSVZYGQSAQ-BNEJOLLZSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081691522 1256336964 /nfs/dbraw/zinc/33/69/64/1256336964.db2.gz AUGXLSVZYGQSAQ-BNEJOLLZSA-N 2 2 362.474 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846554 1256409794 /nfs/dbraw/zinc/40/97/94/1256409794.db2.gz AABCYZBHNPCWBD-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846554 1256409797 /nfs/dbraw/zinc/40/97/97/1256409797.db2.gz AABCYZBHNPCWBD-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846554 1256409800 /nfs/dbraw/zinc/40/98/00/1256409800.db2.gz AABCYZBHNPCWBD-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(F)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846554 1256409803 /nfs/dbraw/zinc/40/98/03/1256409803.db2.gz AABCYZBHNPCWBD-BNEJOLLZSA-N 2 2 365.449 0.860 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001081867134 1256419056 /nfs/dbraw/zinc/41/90/56/1256419056.db2.gz HAODDQBVDRXOLX-KBAYOESNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001081867134 1256419059 /nfs/dbraw/zinc/41/90/59/1256419059.db2.gz HAODDQBVDRXOLX-KBAYOESNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949167 1256468438 /nfs/dbraw/zinc/46/84/38/1256468438.db2.gz BAHBSMOVXLGYQL-IAGOWNOFSA-N 2 2 370.413 0.743 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949167 1256468442 /nfs/dbraw/zinc/46/84/42/1256468442.db2.gz BAHBSMOVXLGYQL-IAGOWNOFSA-N 2 2 370.413 0.743 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001082296622 1256639855 /nfs/dbraw/zinc/63/98/55/1256639855.db2.gz BBLPIWSTZKCXEM-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001082296622 1256639860 /nfs/dbraw/zinc/63/98/60/1256639860.db2.gz BBLPIWSTZKCXEM-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323229 1256661188 /nfs/dbraw/zinc/66/11/88/1256661188.db2.gz KBWXAZFMAYLWBR-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323229 1256661193 /nfs/dbraw/zinc/66/11/93/1256661193.db2.gz KBWXAZFMAYLWBR-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001520987214 1266057616 /nfs/dbraw/zinc/05/76/16/1266057616.db2.gz SCIVBPMOWOYYKJ-AWEZNQCLSA-N 2 2 363.462 0.366 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001520987214 1266057625 /nfs/dbraw/zinc/05/76/25/1266057625.db2.gz SCIVBPMOWOYYKJ-AWEZNQCLSA-N 2 2 363.462 0.366 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082368506 1256716259 /nfs/dbraw/zinc/71/62/59/1256716259.db2.gz FFILPMFPKOKDHO-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082368506 1256716262 /nfs/dbraw/zinc/71/62/62/1256716262.db2.gz FFILPMFPKOKDHO-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)n1 ZINC001082368506 1256716266 /nfs/dbraw/zinc/71/62/66/1256716266.db2.gz FFILPMFPKOKDHO-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)n1 ZINC001082368506 1256716269 /nfs/dbraw/zinc/71/62/69/1256716269.db2.gz FFILPMFPKOKDHO-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368738 1256717011 /nfs/dbraw/zinc/71/70/11/1256717011.db2.gz LVGURCDXVVEHJG-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368738 1256717013 /nfs/dbraw/zinc/71/70/13/1256717013.db2.gz LVGURCDXVVEHJG-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368738 1256717020 /nfs/dbraw/zinc/71/70/20/1256717020.db2.gz LVGURCDXVVEHJG-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368738 1256717022 /nfs/dbraw/zinc/71/70/22/1256717022.db2.gz LVGURCDXVVEHJG-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369137 1256718207 /nfs/dbraw/zinc/71/82/07/1256718207.db2.gz ZWILMYZFJFMCSE-IACUBPJLSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082369137 1256718212 /nfs/dbraw/zinc/71/82/12/1256718212.db2.gz ZWILMYZFJFMCSE-IACUBPJLSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082369137 1256718215 /nfs/dbraw/zinc/71/82/15/1256718215.db2.gz ZWILMYZFJFMCSE-IACUBPJLSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082369137 1256718220 /nfs/dbraw/zinc/71/82/20/1256718220.db2.gz ZWILMYZFJFMCSE-IACUBPJLSA-N 2 2 371.432 0.625 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370258 1256719306 /nfs/dbraw/zinc/71/93/06/1256719306.db2.gz ZCJBUPFCOGWXPD-FGTMMUONSA-N 2 2 365.449 0.770 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370258 1256719312 /nfs/dbraw/zinc/71/93/12/1256719312.db2.gz ZCJBUPFCOGWXPD-FGTMMUONSA-N 2 2 365.449 0.770 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371120 1256721209 /nfs/dbraw/zinc/72/12/09/1256721209.db2.gz UHWGAIVXURAWIJ-IXDOHACOSA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371120 1256721217 /nfs/dbraw/zinc/72/12/17/1256721217.db2.gz UHWGAIVXURAWIJ-IXDOHACOSA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395144 1256744287 /nfs/dbraw/zinc/74/42/87/1256744287.db2.gz XHDJATQNJHYDLU-SJLPKXTDSA-N 2 2 357.458 0.965 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395144 1256744290 /nfs/dbraw/zinc/74/42/90/1256744290.db2.gz XHDJATQNJHYDLU-SJLPKXTDSA-N 2 2 357.458 0.965 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395202 1256744836 /nfs/dbraw/zinc/74/48/36/1256744836.db2.gz CNDRUIWNPCWIMW-IXDOHACOSA-N 2 2 362.405 0.571 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395202 1256744841 /nfs/dbraw/zinc/74/48/41/1256744841.db2.gz CNDRUIWNPCWIMW-IXDOHACOSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC001330584914 1266064524 /nfs/dbraw/zinc/06/45/24/1266064524.db2.gz QGAJMKRXCRSDBR-UHFFFAOYSA-N 2 2 356.434 0.263 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082515414 1256800734 /nfs/dbraw/zinc/80/07/34/1256800734.db2.gz NCBKHRDFDJZPFB-VHDGCEQUSA-N 2 2 362.478 0.414 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)o1 ZINC001082518010 1256804013 /nfs/dbraw/zinc/80/40/13/1256804013.db2.gz UTIKWUZTKRNWDE-IUODEOHRSA-N 2 2 361.450 0.386 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)o1 ZINC001082558320 1256858136 /nfs/dbraw/zinc/85/81/36/1256858136.db2.gz KQZLCDZJRVEZOZ-BMFZPTHFSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082572696 1256880023 /nfs/dbraw/zinc/88/00/23/1256880023.db2.gz SFZIITVHMSTMEJ-RGCMKSIDSA-N 2 2 359.430 0.099 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082572696 1256880030 /nfs/dbraw/zinc/88/00/30/1256880030.db2.gz SFZIITVHMSTMEJ-RGCMKSIDSA-N 2 2 359.430 0.099 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C)n1 ZINC001082572202 1256880453 /nfs/dbraw/zinc/88/04/53/1256880453.db2.gz RJFFSCFHNXHKNW-BNGXUDDSSA-N 2 2 357.462 0.858 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001082572202 1256880466 /nfs/dbraw/zinc/88/04/66/1256880466.db2.gz RJFFSCFHNXHKNW-BNGXUDDSSA-N 2 2 357.462 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC001082590257 1256904544 /nfs/dbraw/zinc/90/45/44/1256904544.db2.gz LTLLTZFNOIIDNR-DTTOXWODSA-N 2 2 361.490 0.485 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC001082590257 1256904549 /nfs/dbraw/zinc/90/45/49/1256904549.db2.gz LTLLTZFNOIIDNR-DTTOXWODSA-N 2 2 361.490 0.485 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082601084 1256912214 /nfs/dbraw/zinc/91/22/14/1256912214.db2.gz LNYDPZMRSZQBBN-RVKKMQEKSA-N 2 2 356.474 0.858 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C)n1 ZINC001082603413 1256915165 /nfs/dbraw/zinc/91/51/65/1256915165.db2.gz ZVEMQPFRWDEKMU-IJEWVQPXSA-N 2 2 370.457 0.881 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C)n1 ZINC001082603412 1256915326 /nfs/dbraw/zinc/91/53/26/1256915326.db2.gz ZVEMQPFRWDEKMU-IIAWOOMASA-N 2 2 370.457 0.881 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001082646438 1256952039 /nfs/dbraw/zinc/95/20/39/1256952039.db2.gz WBQYOGYIJNUKBK-UKRRQHHQSA-N 2 2 357.462 0.756 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001082663913 1256966081 /nfs/dbraw/zinc/96/60/81/1256966081.db2.gz LZCMJLIIUSJZJM-KURKYZTESA-N 2 2 363.506 0.821 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001082663913 1256966087 /nfs/dbraw/zinc/96/60/87/1256966087.db2.gz LZCMJLIIUSJZJM-KURKYZTESA-N 2 2 363.506 0.821 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)nc1 ZINC001082703438 1256994463 /nfs/dbraw/zinc/99/44/63/1256994463.db2.gz UEWYHBTXIKKMDH-ZACQAIPSSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)nc1 ZINC001082703438 1256994468 /nfs/dbraw/zinc/99/44/68/1256994468.db2.gz UEWYHBTXIKKMDH-ZACQAIPSSA-N 2 2 361.490 0.831 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001082741900 1257020699 /nfs/dbraw/zinc/02/06/99/1257020699.db2.gz IMCCMRZLBVINDF-RRFJBIMHSA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001082741900 1257020707 /nfs/dbraw/zinc/02/07/07/1257020707.db2.gz IMCCMRZLBVINDF-RRFJBIMHSA-N 2 2 365.478 0.537 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CCNC2=O)CC1 ZINC001330732701 1266085272 /nfs/dbraw/zinc/08/52/72/1266085272.db2.gz LCVXPMSGATZSBH-MRXNPFEDSA-N 2 2 371.485 0.721 20 0 FCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1 ZINC001082823043 1257081376 /nfs/dbraw/zinc/08/13/76/1257081376.db2.gz ABXUXEQCKHAUGN-CZUORRHYSA-N 2 2 355.442 0.949 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082823784 1257081806 /nfs/dbraw/zinc/08/18/06/1257081806.db2.gz NVPYUXUJMNCKRU-CHWSQXEVSA-N 2 2 360.466 0.373 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082826977 1257084926 /nfs/dbraw/zinc/08/49/26/1257084926.db2.gz VRLOTJDWNDYJHW-CZUORRHYSA-N 2 2 366.429 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082861150 1257112493 /nfs/dbraw/zinc/11/24/93/1257112493.db2.gz JWWDAXHRXVYJBZ-CXAGYDPISA-N 2 2 357.462 0.601 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001082863194 1257113651 /nfs/dbraw/zinc/11/36/51/1257113651.db2.gz RQSOGQXTWCJHQD-MGPQQGTHSA-N 2 2 363.462 0.809 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C)c1nnnn1C ZINC001082864523 1257114921 /nfs/dbraw/zinc/11/49/21/1257114921.db2.gz RFTNNEXNAHBGCP-MBNYWOFBSA-N 2 2 358.450 0.482 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001082921894 1257145668 /nfs/dbraw/zinc/14/56/68/1257145668.db2.gz TVYKCGNVDLKHRZ-UKRRQHHQSA-N 2 2 358.446 0.055 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001082922721 1257146975 /nfs/dbraw/zinc/14/69/75/1257146975.db2.gz XWEAKEHEEJMCPB-TZMCWYRMSA-N 2 2 362.434 0.400 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923538 1257148320 /nfs/dbraw/zinc/14/83/20/1257148320.db2.gz NZQLKEYCHHUOSX-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082935087 1257156354 /nfs/dbraw/zinc/15/63/54/1257156354.db2.gz JRIZCIQHPRNNPM-ATZDWAIDSA-N 2 2 365.518 0.960 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)[NH+]1CCCCC1 ZINC001082943550 1257160284 /nfs/dbraw/zinc/16/02/84/1257160284.db2.gz NVSZMGAXLJXCID-INMHGKMJSA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082944276 1257160307 /nfs/dbraw/zinc/16/03/07/1257160307.db2.gz MUADOICBRQTDOY-UNEWFSDZSA-N 2 2 357.462 0.450 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083024620 1257214623 /nfs/dbraw/zinc/21/46/23/1257214623.db2.gz USABZWHCBAJPKQ-OKZBNKHCSA-N 2 2 361.490 0.451 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083024620 1257214628 /nfs/dbraw/zinc/21/46/28/1257214628.db2.gz USABZWHCBAJPKQ-OKZBNKHCSA-N 2 2 361.490 0.451 20 0 FCADLP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)cn1 ZINC001083024620 1257214632 /nfs/dbraw/zinc/21/46/32/1257214632.db2.gz USABZWHCBAJPKQ-OKZBNKHCSA-N 2 2 361.490 0.451 20 0 FCADLP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@H]3C2)cn1 ZINC001083024620 1257214634 /nfs/dbraw/zinc/21/46/34/1257214634.db2.gz USABZWHCBAJPKQ-OKZBNKHCSA-N 2 2 361.490 0.451 20 0 FCADLP Cc1ccccc1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083034525 1257227529 /nfs/dbraw/zinc/22/75/29/1257227529.db2.gz FRIUOPMKJNVRMS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccccc1C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083034525 1257227537 /nfs/dbraw/zinc/22/75/37/1257227537.db2.gz FRIUOPMKJNVRMS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccccc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034525 1257227542 /nfs/dbraw/zinc/22/75/42/1257227542.db2.gz FRIUOPMKJNVRMS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccccc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034525 1257227548 /nfs/dbraw/zinc/22/75/48/1257227548.db2.gz FRIUOPMKJNVRMS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cc(C)ncn4)C[C@@H]32)CC[N@@H+]1C ZINC001083087566 1257288171 /nfs/dbraw/zinc/28/81/71/1257288171.db2.gz RGGICFCPJZBBNZ-ZSYWTGECSA-N 2 2 373.501 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cc(C)ncn4)C[C@@H]32)CC[N@H+]1C ZINC001083087566 1257288177 /nfs/dbraw/zinc/28/81/77/1257288177.db2.gz RGGICFCPJZBBNZ-ZSYWTGECSA-N 2 2 373.501 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cc(C)ncn4)C[C@@H]32)CC[NH+]1C ZINC001083087566 1257288180 /nfs/dbraw/zinc/28/81/80/1257288180.db2.gz RGGICFCPJZBBNZ-ZSYWTGECSA-N 2 2 373.501 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@@H]32)CC[NH+]1C ZINC001083087566 1257288184 /nfs/dbraw/zinc/28/81/84/1257288184.db2.gz RGGICFCPJZBBNZ-ZSYWTGECSA-N 2 2 373.501 0.927 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083144196 1257398619 /nfs/dbraw/zinc/39/86/19/1257398619.db2.gz UERLFQBSOSNZSG-RRFJBIMHSA-N 2 2 370.400 0.527 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001083144196 1257398627 /nfs/dbraw/zinc/39/86/27/1257398627.db2.gz UERLFQBSOSNZSG-RRFJBIMHSA-N 2 2 370.400 0.527 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182913 1257443149 /nfs/dbraw/zinc/44/31/49/1257443149.db2.gz CURZZZIMOWMKBH-ZWKOTPCHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182913 1257443152 /nfs/dbraw/zinc/44/31/52/1257443152.db2.gz CURZZZIMOWMKBH-ZWKOTPCHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)ncn1 ZINC001083183062 1257444346 /nfs/dbraw/zinc/44/43/46/1257444346.db2.gz LVZGBLRSXDFFEV-ZWKOTPCHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)ncn1 ZINC001083183062 1257444351 /nfs/dbraw/zinc/44/43/51/1257444351.db2.gz LVZGBLRSXDFFEV-ZWKOTPCHSA-N 2 2 359.474 0.538 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)c1 ZINC001083645442 1257463650 /nfs/dbraw/zinc/46/36/50/1257463650.db2.gz APWNTEHHWJONRN-MSOLQXFVSA-N 2 2 371.441 0.511 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)c1 ZINC001083645442 1257463654 /nfs/dbraw/zinc/46/36/54/1257463654.db2.gz APWNTEHHWJONRN-MSOLQXFVSA-N 2 2 371.441 0.511 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1C ZINC001083645289 1257464423 /nfs/dbraw/zinc/46/44/23/1257464423.db2.gz UCCBVSYIMOZLOI-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1C ZINC001083645289 1257464430 /nfs/dbraw/zinc/46/44/30/1257464430.db2.gz UCCBVSYIMOZLOI-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779799 1257521921 /nfs/dbraw/zinc/52/19/21/1257521921.db2.gz VAHZESDQNZHJNH-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779799 1257521924 /nfs/dbraw/zinc/52/19/24/1257521924.db2.gz VAHZESDQNZHJNH-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779799 1257521933 /nfs/dbraw/zinc/52/19/33/1257521933.db2.gz VAHZESDQNZHJNH-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779799 1257521938 /nfs/dbraw/zinc/52/19/38/1257521938.db2.gz VAHZESDQNZHJNH-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001083789832 1257540726 /nfs/dbraw/zinc/54/07/26/1257540726.db2.gz YYDAQSJFSAYLFM-MTNOOBJLSA-N 2 2 354.454 0.928 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O ZINC001083789832 1257540733 /nfs/dbraw/zinc/54/07/33/1257540733.db2.gz YYDAQSJFSAYLFM-MTNOOBJLSA-N 2 2 354.454 0.928 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1)OC ZINC001083946328 1257731570 /nfs/dbraw/zinc/73/15/70/1257731570.db2.gz GDVXXDUVENAAMX-OIISXLGYSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1)OC ZINC001083946328 1257731574 /nfs/dbraw/zinc/73/15/74/1257731574.db2.gz GDVXXDUVENAAMX-OIISXLGYSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1)OC ZINC001083946329 1257731948 /nfs/dbraw/zinc/73/19/48/1257731948.db2.gz GDVXXDUVENAAMX-UAGQMJEPSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1)OC ZINC001083946329 1257731955 /nfs/dbraw/zinc/73/19/55/1257731955.db2.gz GDVXXDUVENAAMX-UAGQMJEPSA-N 2 2 359.430 0.467 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946629 1257733134 /nfs/dbraw/zinc/73/31/34/1257733134.db2.gz VFNCQQDCWVJMRH-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946629 1257733139 /nfs/dbraw/zinc/73/31/39/1257733139.db2.gz VFNCQQDCWVJMRH-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083954230 1257743158 /nfs/dbraw/zinc/74/31/58/1257743158.db2.gz QIXYFUISBTXCNH-MOPGFXCFSA-N 2 2 370.453 0.397 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083954230 1257743161 /nfs/dbraw/zinc/74/31/61/1257743161.db2.gz QIXYFUISBTXCNH-MOPGFXCFSA-N 2 2 370.453 0.397 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961300 1257751585 /nfs/dbraw/zinc/75/15/85/1257751585.db2.gz LVWJHDHYYOCOSU-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961300 1257751589 /nfs/dbraw/zinc/75/15/89/1257751589.db2.gz LVWJHDHYYOCOSU-AEFFLSMTSA-N 2 2 355.442 0.826 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001084058218 1257871260 /nfs/dbraw/zinc/87/12/60/1257871260.db2.gz PPOXBEMGLNBOBC-CVEARBPZSA-N 2 2 361.442 0.215 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001084058218 1257871268 /nfs/dbraw/zinc/87/12/68/1257871268.db2.gz PPOXBEMGLNBOBC-CVEARBPZSA-N 2 2 361.442 0.215 20 0 FCADLP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058820 1257873456 /nfs/dbraw/zinc/87/34/56/1257873456.db2.gz KSVOLLCPVKKCQC-CVEARBPZSA-N 2 2 363.458 0.331 20 0 FCADLP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058820 1257873470 /nfs/dbraw/zinc/87/34/70/1257873470.db2.gz KSVOLLCPVKKCQC-CVEARBPZSA-N 2 2 363.458 0.331 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084347087 1258038675 /nfs/dbraw/zinc/03/86/75/1258038675.db2.gz GWMXKGMRBUMZDV-KBAYOESNSA-N 2 2 371.485 0.860 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084347087 1258038685 /nfs/dbraw/zinc/03/86/85/1258038685.db2.gz GWMXKGMRBUMZDV-KBAYOESNSA-N 2 2 371.485 0.860 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084347086 1258038904 /nfs/dbraw/zinc/03/89/04/1258038904.db2.gz GWMXKGMRBUMZDV-BPQIPLTHSA-N 2 2 371.485 0.860 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)n1 ZINC001084347086 1258038913 /nfs/dbraw/zinc/03/89/13/1258038913.db2.gz GWMXKGMRBUMZDV-BPQIPLTHSA-N 2 2 371.485 0.860 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355659 1258046270 /nfs/dbraw/zinc/04/62/70/1258046270.db2.gz ACJUDKJYEKRSSA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355659 1258046280 /nfs/dbraw/zinc/04/62/80/1258046280.db2.gz ACJUDKJYEKRSSA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355659 1258046287 /nfs/dbraw/zinc/04/62/87/1258046287.db2.gz ACJUDKJYEKRSSA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)n1 ZINC001084355659 1258046293 /nfs/dbraw/zinc/04/62/93/1258046293.db2.gz ACJUDKJYEKRSSA-MUIFIZLQSA-N 2 2 359.474 0.858 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447661 1258117532 /nfs/dbraw/zinc/11/75/32/1258117532.db2.gz YULJWLGYAGRWMX-MOIQIXESSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447661 1258117537 /nfs/dbraw/zinc/11/75/37/1258117537.db2.gz YULJWLGYAGRWMX-MOIQIXESSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447661 1258117538 /nfs/dbraw/zinc/11/75/38/1258117538.db2.gz YULJWLGYAGRWMX-MOIQIXESSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447661 1258117543 /nfs/dbraw/zinc/11/75/43/1258117543.db2.gz YULJWLGYAGRWMX-MOIQIXESSA-N 2 2 359.474 0.537 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084488250 1258132199 /nfs/dbraw/zinc/13/21/99/1258132199.db2.gz SBTFXOAEJLXMHQ-HYVNUMGLSA-N 2 2 353.426 0.759 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084488250 1258132202 /nfs/dbraw/zinc/13/22/02/1258132202.db2.gz SBTFXOAEJLXMHQ-HYVNUMGLSA-N 2 2 353.426 0.759 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)n1 ZINC001084540083 1258160740 /nfs/dbraw/zinc/16/07/40/1258160740.db2.gz UOIKDLYFWMCIIG-IAGOWNOFSA-N 2 2 371.489 0.794 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)n1 ZINC001084540083 1258160742 /nfs/dbraw/zinc/16/07/42/1258160742.db2.gz UOIKDLYFWMCIIG-IAGOWNOFSA-N 2 2 371.489 0.794 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001084545277 1258163108 /nfs/dbraw/zinc/16/31/08/1258163108.db2.gz CEUPGJWERFFMEN-SZVBFZGTSA-N 2 2 360.502 0.672 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001084545277 1258163113 /nfs/dbraw/zinc/16/31/13/1258163113.db2.gz CEUPGJWERFFMEN-SZVBFZGTSA-N 2 2 360.502 0.672 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084661951 1258225475 /nfs/dbraw/zinc/22/54/75/1258225475.db2.gz PIGGOOLOGKWENT-RCCFBDPRSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084661951 1258225481 /nfs/dbraw/zinc/22/54/81/1258225481.db2.gz PIGGOOLOGKWENT-RCCFBDPRSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084661951 1258225487 /nfs/dbraw/zinc/22/54/87/1258225487.db2.gz PIGGOOLOGKWENT-RCCFBDPRSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC001084661951 1258225491 /nfs/dbraw/zinc/22/54/91/1258225491.db2.gz PIGGOOLOGKWENT-RCCFBDPRSA-N 2 2 362.518 0.873 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675720 1258239162 /nfs/dbraw/zinc/23/91/62/1258239162.db2.gz WZMDMPHDURELDM-AKHDSKFASA-N 2 2 370.497 0.611 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675720 1258239166 /nfs/dbraw/zinc/23/91/66/1258239166.db2.gz WZMDMPHDURELDM-AKHDSKFASA-N 2 2 370.497 0.611 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675720 1258239172 /nfs/dbraw/zinc/23/91/72/1258239172.db2.gz WZMDMPHDURELDM-AKHDSKFASA-N 2 2 370.497 0.611 20 0 FCADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675720 1258239179 /nfs/dbraw/zinc/23/91/79/1258239179.db2.gz WZMDMPHDURELDM-AKHDSKFASA-N 2 2 370.497 0.611 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084775560 1258319243 /nfs/dbraw/zinc/31/92/43/1258319243.db2.gz LJLOCBDEIFETSY-IJEWVQPXSA-N 2 2 355.446 0.274 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001084775560 1258319251 /nfs/dbraw/zinc/31/92/51/1258319251.db2.gz LJLOCBDEIFETSY-IJEWVQPXSA-N 2 2 355.446 0.274 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001084799212 1258338492 /nfs/dbraw/zinc/33/84/92/1258338492.db2.gz XHBKODFVTVDQLV-BFYDXBDKSA-N 2 2 358.446 0.051 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001084799212 1258338497 /nfs/dbraw/zinc/33/84/97/1258338497.db2.gz XHBKODFVTVDQLV-BFYDXBDKSA-N 2 2 358.446 0.051 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)n4)[C@H]3C2)CC[N@@H+]1C ZINC001084944764 1258457439 /nfs/dbraw/zinc/45/74/39/1258457439.db2.gz LQZMGTNPMQHTCJ-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cnn(C)n4)[C@H]3C2)CC[N@H+]1C ZINC001084944764 1258457445 /nfs/dbraw/zinc/45/74/45/1258457445.db2.gz LQZMGTNPMQHTCJ-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)n4)[C@H]3C2)CC[NH+]1C ZINC001084944764 1258457448 /nfs/dbraw/zinc/45/74/48/1258457448.db2.gz LQZMGTNPMQHTCJ-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(C)n4)[C@H]3C2)CC[NH+]1C ZINC001084944764 1258457451 /nfs/dbraw/zinc/45/74/51/1258457451.db2.gz LQZMGTNPMQHTCJ-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975148 1258485887 /nfs/dbraw/zinc/48/58/87/1258485887.db2.gz NRGKRIICLKFEMM-NUJGCVRESA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975148 1258485891 /nfs/dbraw/zinc/48/58/91/1258485891.db2.gz NRGKRIICLKFEMM-NUJGCVRESA-N 2 2 369.473 0.660 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085001914 1258509420 /nfs/dbraw/zinc/50/94/20/1258509420.db2.gz NZAVNJZVLQWABP-ZACQAIPSSA-N 2 2 369.473 0.975 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@H]2C1 ZINC001085001914 1258509425 /nfs/dbraw/zinc/50/94/25/1258509425.db2.gz NZAVNJZVLQWABP-ZACQAIPSSA-N 2 2 369.473 0.975 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018611 1258524660 /nfs/dbraw/zinc/52/46/60/1258524660.db2.gz HQBNPZHSEFVOCI-INMHGKMJSA-N 2 2 359.474 0.423 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@@H]21 ZINC001085018611 1258524662 /nfs/dbraw/zinc/52/46/62/1258524662.db2.gz HQBNPZHSEFVOCI-INMHGKMJSA-N 2 2 359.474 0.423 20 0 FCADLP O=C(N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001085047762 1258544759 /nfs/dbraw/zinc/54/47/59/1258544759.db2.gz KYWLJJKHPMBOGL-MSOLQXFVSA-N 2 2 365.518 0.937 20 0 FCADLP O=C(N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001085047762 1258544764 /nfs/dbraw/zinc/54/47/64/1258544764.db2.gz KYWLJJKHPMBOGL-MSOLQXFVSA-N 2 2 365.518 0.937 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@@H]32)n1 ZINC001085056817 1258552026 /nfs/dbraw/zinc/55/20/26/1258552026.db2.gz IZOQDBJJVGRFHT-AEFFLSMTSA-N 2 2 361.490 0.565 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@@H]32)n1 ZINC001085056817 1258552031 /nfs/dbraw/zinc/55/20/31/1258552031.db2.gz IZOQDBJJVGRFHT-AEFFLSMTSA-N 2 2 361.490 0.565 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085083222 1258576591 /nfs/dbraw/zinc/57/65/91/1258576591.db2.gz JGAYXIVLRGUNPN-ZBFHGGJFSA-N 2 2 360.462 0.209 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085083222 1258576598 /nfs/dbraw/zinc/57/65/98/1258576598.db2.gz JGAYXIVLRGUNPN-ZBFHGGJFSA-N 2 2 360.462 0.209 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088123698 1258651685 /nfs/dbraw/zinc/65/16/85/1258651685.db2.gz BOMVNPDILFIMBZ-BBWFWOEESA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088123698 1258651689 /nfs/dbraw/zinc/65/16/89/1258651689.db2.gz BOMVNPDILFIMBZ-BBWFWOEESA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135318 1258652586 /nfs/dbraw/zinc/65/25/86/1258652586.db2.gz FZGFQQRNYNLPRN-XHSDSOJGSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135318 1258652592 /nfs/dbraw/zinc/65/25/92/1258652592.db2.gz FZGFQQRNYNLPRN-XHSDSOJGSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135318 1258652600 /nfs/dbraw/zinc/65/26/00/1258652600.db2.gz FZGFQQRNYNLPRN-XHSDSOJGSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088135318 1258652604 /nfs/dbraw/zinc/65/26/04/1258652604.db2.gz FZGFQQRNYNLPRN-XHSDSOJGSA-N 2 2 357.462 0.660 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)CC1 ZINC001088153666 1258666738 /nfs/dbraw/zinc/66/67/38/1258666738.db2.gz FTQBVDTWFILBDU-CABCVRRESA-N 2 2 363.462 0.461 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)CC1 ZINC001088153666 1258666747 /nfs/dbraw/zinc/66/67/47/1258666747.db2.gz FTQBVDTWFILBDU-CABCVRRESA-N 2 2 363.462 0.461 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088170913 1258690473 /nfs/dbraw/zinc/69/04/73/1258690473.db2.gz NTXHHQDUBLSEIQ-KGLIPLIRSA-N 2 2 359.474 0.746 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088170913 1258690479 /nfs/dbraw/zinc/69/04/79/1258690479.db2.gz NTXHHQDUBLSEIQ-KGLIPLIRSA-N 2 2 359.474 0.746 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170678 1258690903 /nfs/dbraw/zinc/69/09/03/1258690903.db2.gz ASXVDPWYNSBMQS-ZNMIVQPWSA-N 2 2 359.474 0.410 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170678 1258690914 /nfs/dbraw/zinc/69/09/14/1258690914.db2.gz ASXVDPWYNSBMQS-ZNMIVQPWSA-N 2 2 359.474 0.410 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1)C1CC1 ZINC001088170873 1258691451 /nfs/dbraw/zinc/69/14/51/1258691451.db2.gz LLEAMGSUTDKVKL-CABCVRRESA-N 2 2 359.474 0.364 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1)C1CC1 ZINC001088170873 1258691456 /nfs/dbraw/zinc/69/14/56/1258691456.db2.gz LLEAMGSUTDKVKL-CABCVRRESA-N 2 2 359.474 0.364 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199195 1258719119 /nfs/dbraw/zinc/71/91/19/1258719119.db2.gz FPLQHCDHPCDERJ-OAGGEKHMSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199195 1258719123 /nfs/dbraw/zinc/71/91/23/1258719123.db2.gz FPLQHCDHPCDERJ-OAGGEKHMSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199195 1258719133 /nfs/dbraw/zinc/71/91/33/1258719133.db2.gz FPLQHCDHPCDERJ-OAGGEKHMSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199195 1258719140 /nfs/dbraw/zinc/71/91/40/1258719140.db2.gz FPLQHCDHPCDERJ-OAGGEKHMSA-N 2 2 361.494 0.486 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199329 1258719402 /nfs/dbraw/zinc/71/94/02/1258719402.db2.gz KLRSTCZSEFIFJZ-ZACQAIPSSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199329 1258719411 /nfs/dbraw/zinc/71/94/11/1258719411.db2.gz KLRSTCZSEFIFJZ-ZACQAIPSSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199329 1258719416 /nfs/dbraw/zinc/71/94/16/1258719416.db2.gz KLRSTCZSEFIFJZ-ZACQAIPSSA-N 2 2 360.506 0.838 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199329 1258719420 /nfs/dbraw/zinc/71/94/20/1258719420.db2.gz KLRSTCZSEFIFJZ-ZACQAIPSSA-N 2 2 360.506 0.838 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211517 1258734452 /nfs/dbraw/zinc/73/44/52/1258734452.db2.gz ODZVEDOPYAEQNV-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211517 1258734456 /nfs/dbraw/zinc/73/44/56/1258734456.db2.gz ODZVEDOPYAEQNV-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211517 1258734459 /nfs/dbraw/zinc/73/44/59/1258734459.db2.gz ODZVEDOPYAEQNV-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088211517 1258734466 /nfs/dbraw/zinc/73/44/66/1258734466.db2.gz ODZVEDOPYAEQNV-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088219728 1258740872 /nfs/dbraw/zinc/74/08/72/1258740872.db2.gz SHUYPPNVKILFOX-BBWFWOEESA-N 2 2 359.474 0.580 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088219728 1258740875 /nfs/dbraw/zinc/74/08/75/1258740875.db2.gz SHUYPPNVKILFOX-BBWFWOEESA-N 2 2 359.474 0.580 20 0 FCADLP O=C(N[C@H]1C[N@@H+](CCCO)CC2(CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089942830 1258767049 /nfs/dbraw/zinc/76/70/49/1258767049.db2.gz CTVWPMYHZHPBMB-BZUAXINKSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(N[C@H]1C[N@H+](CCCO)CC2(CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089942830 1258767054 /nfs/dbraw/zinc/76/70/54/1258767054.db2.gz CTVWPMYHZHPBMB-BZUAXINKSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(N[C@H]1C[N@@H+](CCCO)CC2(CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089942830 1258767061 /nfs/dbraw/zinc/76/70/61/1258767061.db2.gz CTVWPMYHZHPBMB-BZUAXINKSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(N[C@H]1C[N@H+](CCCO)CC2(CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089942830 1258767066 /nfs/dbraw/zinc/76/70/66/1258767066.db2.gz CTVWPMYHZHPBMB-BZUAXINKSA-N 2 2 362.474 0.883 20 0 FCADLP CCc1cc(N2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nc(C)[nH+]1 ZINC001090326639 1258775419 /nfs/dbraw/zinc/77/54/19/1258775419.db2.gz VBIZJNIIICDGPK-DOTOQJQBSA-N 2 2 361.490 0.963 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21 ZINC001090327828 1258776648 /nfs/dbraw/zinc/77/66/48/1258776648.db2.gz PTDUINIFKSZTSB-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21 ZINC001090327828 1258776652 /nfs/dbraw/zinc/77/66/52/1258776652.db2.gz PTDUINIFKSZTSB-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104364100 1258915922 /nfs/dbraw/zinc/91/59/22/1258915922.db2.gz WZWSCNBJDBTXSL-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105648447 1258922063 /nfs/dbraw/zinc/92/20/63/1258922063.db2.gz YHNAAQPKCCIVTL-PSBWJHGTSA-N 2 2 364.490 0.622 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001331472273 1266221565 /nfs/dbraw/zinc/22/15/65/1266221565.db2.gz AIAIAQVHPFIQFZ-MSOLQXFVSA-N 2 2 374.485 0.521 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001106677958 1258940503 /nfs/dbraw/zinc/94/05/03/1258940503.db2.gz QHPMOHHOMLMDSS-MWQQHZPXSA-N 2 2 373.501 0.734 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106874748 1258984755 /nfs/dbraw/zinc/98/47/55/1258984755.db2.gz RPZXNIFNIGVHPT-UKRRQHHQSA-N 2 2 361.490 0.898 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001106937242 1259000429 /nfs/dbraw/zinc/00/04/29/1259000429.db2.gz PTRUMLPMTHUIGT-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001107076027 1259028025 /nfs/dbraw/zinc/02/80/25/1259028025.db2.gz IZAGRLQAOPANMY-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001107076026 1259028238 /nfs/dbraw/zinc/02/82/38/1259028238.db2.gz IZAGRLQAOPANMY-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001107074738 1259028631 /nfs/dbraw/zinc/02/86/31/1259028631.db2.gz HVUIGPOBJJASMQ-NVXWUHKLSA-N 2 2 371.489 0.526 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001107074738 1259028636 /nfs/dbraw/zinc/02/86/36/1259028636.db2.gz HVUIGPOBJJASMQ-NVXWUHKLSA-N 2 2 371.489 0.526 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](Cc2nnnn2C)CC3)C1 ZINC001107546593 1259111710 /nfs/dbraw/zinc/11/17/10/1259111710.db2.gz ISUBASUWHONFHT-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](Cc2nnnn2C)CC3)C1 ZINC001107546593 1259111715 /nfs/dbraw/zinc/11/17/15/1259111715.db2.gz ISUBASUWHONFHT-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nnnn2C)CC3)C1 ZINC001107546593 1259111718 /nfs/dbraw/zinc/11/17/18/1259111718.db2.gz ISUBASUWHONFHT-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2nnnn2C)CC3)C1 ZINC001107546593 1259111723 /nfs/dbraw/zinc/11/17/23/1259111723.db2.gz ISUBASUWHONFHT-HDMKZQKVSA-N 2 2 361.494 0.413 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnnn1C)CC2 ZINC001107621641 1259135205 /nfs/dbraw/zinc/13/52/05/1259135205.db2.gz TYKUVSGVVCNJEH-SJLPKXTDSA-N 2 2 357.462 0.950 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnnn1C)CC2 ZINC001107621641 1259135208 /nfs/dbraw/zinc/13/52/08/1259135208.db2.gz TYKUVSGVVCNJEH-SJLPKXTDSA-N 2 2 357.462 0.950 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622901 1259135591 /nfs/dbraw/zinc/13/55/91/1259135591.db2.gz GQIQHCWCZXYXJO-YQVWRLOYSA-N 2 2 364.490 0.721 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107622901 1259135596 /nfs/dbraw/zinc/13/55/96/1259135596.db2.gz GQIQHCWCZXYXJO-YQVWRLOYSA-N 2 2 364.490 0.721 20 0 FCADLP COCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024242 1259150979 /nfs/dbraw/zinc/15/09/79/1259150979.db2.gz IYDBQYQBAHTGPI-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP COCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024242 1259150982 /nfs/dbraw/zinc/15/09/82/1259150982.db2.gz IYDBQYQBAHTGPI-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP COCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024242 1259150986 /nfs/dbraw/zinc/15/09/86/1259150986.db2.gz IYDBQYQBAHTGPI-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP COCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024242 1259150990 /nfs/dbraw/zinc/15/09/90/1259150990.db2.gz IYDBQYQBAHTGPI-LMMKCTJWSA-N 2 2 371.522 0.729 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543535 1259165253 /nfs/dbraw/zinc/16/52/53/1259165253.db2.gz GPOWQUIZTNEERS-DOXZYTNZSA-N 2 2 361.490 0.943 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543535 1259165256 /nfs/dbraw/zinc/16/52/56/1259165256.db2.gz GPOWQUIZTNEERS-DOXZYTNZSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001127547117 1259179128 /nfs/dbraw/zinc/17/91/28/1259179128.db2.gz BFDSZUYAOMRZQY-OWCLPIDISA-N 2 2 369.473 0.639 20 0 FCADLP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547349 1259179162 /nfs/dbraw/zinc/17/91/62/1259179162.db2.gz JGPDFONKAJQPSF-GDBMZVCRSA-N 2 2 357.462 0.671 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851455 1259248767 /nfs/dbraw/zinc/24/87/67/1259248767.db2.gz NQQNHKFSWJRMQZ-PMPSAXMXSA-N 2 2 368.457 0.090 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851455 1259248770 /nfs/dbraw/zinc/24/87/70/1259248770.db2.gz NQQNHKFSWJRMQZ-PMPSAXMXSA-N 2 2 368.457 0.090 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851455 1259248773 /nfs/dbraw/zinc/24/87/73/1259248773.db2.gz NQQNHKFSWJRMQZ-PMPSAXMXSA-N 2 2 368.457 0.090 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)C1 ZINC001128851455 1259248777 /nfs/dbraw/zinc/24/87/77/1259248777.db2.gz NQQNHKFSWJRMQZ-PMPSAXMXSA-N 2 2 368.457 0.090 20 0 FCADLP CCOC(=O)[C@@H]1NC(=O)c2cc(NC(=[NH2+])N3CC[NH+](C)CC3)ccc2O1 ZINC001168740434 1259391045 /nfs/dbraw/zinc/39/10/45/1259391045.db2.gz JJLSMNCRSKBIMB-OAHLLOKOSA-N 2 2 361.402 0.292 20 0 FCADLP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001200629320 1259417719 /nfs/dbraw/zinc/41/77/19/1259417719.db2.gz XIUHRWOUKCQARK-GDBMZVCRSA-N 2 2 359.474 0.481 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCO[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001200729491 1259420410 /nfs/dbraw/zinc/42/04/10/1259420410.db2.gz OCKPYRQCDRIMAK-ARFHVFGLSA-N 2 2 358.446 0.617 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001200729491 1259420418 /nfs/dbraw/zinc/42/04/18/1259420418.db2.gz OCKPYRQCDRIMAK-ARFHVFGLSA-N 2 2 358.446 0.617 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211680120 1259427752 /nfs/dbraw/zinc/42/77/52/1259427752.db2.gz HRRMVGKRQJTBMZ-ZWKOTPCHSA-N 2 2 358.442 0.545 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403831 1259491515 /nfs/dbraw/zinc/49/15/15/1259491515.db2.gz XDQCXCRSHJSGDW-BRWVUGGUSA-N 2 2 368.522 0.591 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403831 1259491518 /nfs/dbraw/zinc/49/15/18/1259491518.db2.gz XDQCXCRSHJSGDW-BRWVUGGUSA-N 2 2 368.522 0.591 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403831 1259491521 /nfs/dbraw/zinc/49/15/21/1259491521.db2.gz XDQCXCRSHJSGDW-BRWVUGGUSA-N 2 2 368.522 0.591 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403831 1259491526 /nfs/dbraw/zinc/49/15/26/1259491526.db2.gz XDQCXCRSHJSGDW-BRWVUGGUSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430539 1259502131 /nfs/dbraw/zinc/50/21/31/1259502131.db2.gz QIQJZTJBUYZJJT-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430539 1259502136 /nfs/dbraw/zinc/50/21/36/1259502136.db2.gz QIQJZTJBUYZJJT-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430539 1259502145 /nfs/dbraw/zinc/50/21/45/1259502145.db2.gz QIQJZTJBUYZJJT-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430539 1259502149 /nfs/dbraw/zinc/50/21/49/1259502149.db2.gz QIQJZTJBUYZJJT-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001212485315 1259521788 /nfs/dbraw/zinc/52/17/88/1259521788.db2.gz XYPCEZWGVLCXLU-CGTJXYLNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001212485315 1259521792 /nfs/dbraw/zinc/52/17/92/1259521792.db2.gz XYPCEZWGVLCXLU-CGTJXYLNSA-N 2 2 362.474 0.688 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483817 1259522633 /nfs/dbraw/zinc/52/26/33/1259522633.db2.gz USIFYHLWPBIODS-BZUAXINKSA-N 2 2 370.538 0.787 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483817 1259522635 /nfs/dbraw/zinc/52/26/35/1259522635.db2.gz USIFYHLWPBIODS-BZUAXINKSA-N 2 2 370.538 0.787 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483817 1259522639 /nfs/dbraw/zinc/52/26/39/1259522639.db2.gz USIFYHLWPBIODS-BZUAXINKSA-N 2 2 370.538 0.787 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001212483817 1259522644 /nfs/dbraw/zinc/52/26/44/1259522644.db2.gz USIFYHLWPBIODS-BZUAXINKSA-N 2 2 370.538 0.787 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658288 1259580037 /nfs/dbraw/zinc/58/00/37/1259580037.db2.gz XDMFUICCLDBSSS-TXPKVOOTSA-N 2 2 367.490 0.441 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658288 1259580046 /nfs/dbraw/zinc/58/00/46/1259580046.db2.gz XDMFUICCLDBSSS-TXPKVOOTSA-N 2 2 367.490 0.441 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)O1 ZINC001235611416 1259580231 /nfs/dbraw/zinc/58/02/31/1259580231.db2.gz IVQXYUPZGPLZEF-HOTGVXAUSA-N 2 2 367.490 0.441 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)O1 ZINC001235607601 1259580492 /nfs/dbraw/zinc/58/04/92/1259580492.db2.gz BFKJLZRPJAOHGM-GJYPPUQNSA-N 2 2 367.490 0.583 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)O1 ZINC001235607601 1259580500 /nfs/dbraw/zinc/58/05/00/1259580500.db2.gz BFKJLZRPJAOHGM-GJYPPUQNSA-N 2 2 367.490 0.583 20 0 FCADLP C[NH+]1CCN(c2ncc(-c3nccnc3N3CC[NH+](C)CC3)cn2)CC1 ZINC001235916089 1259586561 /nfs/dbraw/zinc/58/65/61/1259586561.db2.gz CZMZQUNQUKOBRL-UHFFFAOYSA-N 2 2 354.462 0.437 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1-c1cncnc1 ZINC001236311847 1259589407 /nfs/dbraw/zinc/58/94/07/1259589407.db2.gz WLULAPWNAYXFHM-UHFFFAOYSA-N 3 2 356.474 0.759 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1-c1cncnc1 ZINC001236311847 1259589410 /nfs/dbraw/zinc/58/94/10/1259589410.db2.gz WLULAPWNAYXFHM-UHFFFAOYSA-N 3 2 356.474 0.759 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001335333808 1259610585 /nfs/dbraw/zinc/61/05/85/1259610585.db2.gz XYYJVFQKMDHAJO-GJZGRUSLSA-N 2 2 368.503 0.413 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001335397377 1259644301 /nfs/dbraw/zinc/64/43/01/1259644301.db2.gz GHRAGCRDKCFJBU-LESCRADOSA-N 2 2 365.474 0.437 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001335397377 1259644313 /nfs/dbraw/zinc/64/43/13/1259644313.db2.gz GHRAGCRDKCFJBU-LESCRADOSA-N 2 2 365.474 0.437 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C[C@H](O)CCOCc1ccccc1 ZINC001246049789 1259645970 /nfs/dbraw/zinc/64/59/70/1259645970.db2.gz BODOXNSBVNFKLQ-GOSISDBHSA-N 3 2 366.506 0.070 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C[C@H](O)CCOCc1ccccc1 ZINC001246049789 1259645980 /nfs/dbraw/zinc/64/59/80/1259645980.db2.gz BODOXNSBVNFKLQ-GOSISDBHSA-N 3 2 366.506 0.070 20 0 FCADLP O[C@@]1(C[N@H+]2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)CCC[NH2+]C1 ZINC001246042740 1259646764 /nfs/dbraw/zinc/64/67/64/1259646764.db2.gz HOIGVIHJEKTHSW-IBGZPJMESA-N 3 2 363.506 0.472 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001246069578 1259647243 /nfs/dbraw/zinc/64/72/43/1259647243.db2.gz KSJYHSPATGSPKA-CEXWTWQISA-N 3 2 368.472 0.693 20 0 FCADLP COC(=O)[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564940 1259653891 /nfs/dbraw/zinc/65/38/91/1259653891.db2.gz GVUNMFREISFZKF-QBPKDAKJSA-N 2 2 361.442 0.227 20 0 FCADLP COC(=O)[C@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564940 1259653900 /nfs/dbraw/zinc/65/39/00/1259653900.db2.gz GVUNMFREISFZKF-QBPKDAKJSA-N 2 2 361.442 0.227 20 0 FCADLP COc1ccc(CN2CC[C@H]([NH2+]C[C@@H]3C[NH2+]CCN3)CC2=O)c(OC)c1 ZINC001246489768 1259655049 /nfs/dbraw/zinc/65/50/49/1259655049.db2.gz ATSYSWKGEHBRMA-HOTGVXAUSA-N 2 2 362.474 0.346 20 0 FCADLP c1ccc(OCc2nnc3n2CC[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246747538 1259676890 /nfs/dbraw/zinc/67/68/90/1259676890.db2.gz KXZQMQGJLDQIFJ-CQSZACIVSA-N 2 2 355.446 0.162 20 0 FCADLP c1ccc(OCc2nnc3n2CC[N@@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)C3)nc1 ZINC001246747538 1259676901 /nfs/dbraw/zinc/67/69/01/1259676901.db2.gz KXZQMQGJLDQIFJ-CQSZACIVSA-N 2 2 355.446 0.162 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(c2cc(C(F)(F)F)ncn2)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246976797 1259697190 /nfs/dbraw/zinc/69/71/90/1259697190.db2.gz YCMAORSDTWRPJW-NEPJUHHUSA-N 2 2 373.379 0.957 20 0 FCADLP c1ccc(CCc2nnc3n2CC[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001247005320 1259697791 /nfs/dbraw/zinc/69/77/91/1259697791.db2.gz SZMBFBOVQKYDRO-KRWDZBQOSA-N 2 2 352.486 0.973 20 0 FCADLP c1ccc(CCc2nnc3n2CC[N@@H+]([C@H]2CCNC4(C[NH2+]C4)C2)C3)cc1 ZINC001247005320 1259697797 /nfs/dbraw/zinc/69/77/97/1259697797.db2.gz SZMBFBOVQKYDRO-KRWDZBQOSA-N 2 2 352.486 0.973 20 0 FCADLP CCn1nnc2c1[C@H](c1nc(-c3ccc4c(n3)CC[NH2+]C4)no1)C[NH2+]C2 ZINC001247132484 1259700408 /nfs/dbraw/zinc/70/04/08/1259700408.db2.gz BYLLTRYUQJPEDU-LLVKDONJSA-N 2 2 352.402 0.624 20 0 FCADLP COc1nccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1F ZINC001247336341 1259702146 /nfs/dbraw/zinc/70/21/46/1259702146.db2.gz VSMWKYGXBCMPGR-JTQLQIEISA-N 2 2 361.337 0.189 20 0 FCADLP C[NH+]1CCN(c2ccccc2-c2noc([C@H]([NH3+])CCCNC(N)=O)n2)CC1 ZINC001247703202 1259705567 /nfs/dbraw/zinc/70/55/67/1259705567.db2.gz NLAIBZNNENAEJD-CQSZACIVSA-N 2 2 373.461 0.937 20 0 FCADLP COC(=O)[C@@H]1CCC[N@@H+](C2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024093 1259732387 /nfs/dbraw/zinc/73/23/87/1259732387.db2.gz MEUUBCJFCHKSAP-SJLPKXTDSA-N 2 2 369.506 0.029 20 0 FCADLP COC(=O)[C@@H]1CCC[N@H+](C2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024093 1259732391 /nfs/dbraw/zinc/73/23/91/1259732391.db2.gz MEUUBCJFCHKSAP-SJLPKXTDSA-N 2 2 369.506 0.029 20 0 FCADLP COc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251034674 1259734148 /nfs/dbraw/zinc/73/41/48/1259734148.db2.gz AILQURIOEVMGIV-IBGZPJMESA-N 2 2 363.502 0.942 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC001335690306 1259788350 /nfs/dbraw/zinc/78/83/50/1259788350.db2.gz HLTWADSIZHEDFC-UHFFFAOYSA-N 2 2 358.490 0.971 20 0 FCADLP O=C(NC[C@@H]1CCCCC[NH2+]1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001335696733 1259791055 /nfs/dbraw/zinc/79/10/55/1259791055.db2.gz QTSQFMRZQBMSAK-HNNXBMFYSA-N 2 2 361.494 0.803 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001253183348 1259828080 /nfs/dbraw/zinc/82/80/80/1259828080.db2.gz YEGHLLBHXGYZBM-MLHJIOFPSA-N 2 2 369.506 0.865 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001253183348 1259828088 /nfs/dbraw/zinc/82/80/88/1259828088.db2.gz YEGHLLBHXGYZBM-MLHJIOFPSA-N 2 2 369.506 0.865 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC001253362921 1259836759 /nfs/dbraw/zinc/83/67/59/1259836759.db2.gz JGIUCAOZUGNKIY-UHFFFAOYSA-N 2 2 373.461 0.275 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001253789324 1259853388 /nfs/dbraw/zinc/85/33/88/1259853388.db2.gz VDCZPHMDSKKADA-KRWDZBQOSA-N 2 2 366.458 0.801 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H]1CC[N@H+](C)C1)C2 ZINC001255432325 1259913267 /nfs/dbraw/zinc/91/32/67/1259913267.db2.gz PVSMKFBZCBMEOV-IAGOWNOFSA-N 2 2 363.506 0.372 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H]1CC[N@@H+](C)C1)C2 ZINC001255432325 1259913273 /nfs/dbraw/zinc/91/32/73/1259913273.db2.gz PVSMKFBZCBMEOV-IAGOWNOFSA-N 2 2 363.506 0.372 20 0 FCADLP CCOC(=O)CCC(CCC(=O)OCC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001256008869 1259931348 /nfs/dbraw/zinc/93/13/48/1259931348.db2.gz NGVYOAQZUHKIOT-UHFFFAOYSA-N 2 2 369.506 0.973 20 0 FCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001256340582 1259946913 /nfs/dbraw/zinc/94/69/13/1259946913.db2.gz SEUSXWCYSAWXEA-HNNXBMFYSA-N 2 2 373.461 0.366 20 0 FCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001256340582 1259946918 /nfs/dbraw/zinc/94/69/18/1259946918.db2.gz SEUSXWCYSAWXEA-HNNXBMFYSA-N 2 2 373.461 0.366 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515790 1260153872 /nfs/dbraw/zinc/15/38/72/1260153872.db2.gz UJVZCFXUHFVZDL-ZACQAIPSSA-N 2 2 364.494 0.818 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)C1 ZINC001261515790 1260153878 /nfs/dbraw/zinc/15/38/78/1260153878.db2.gz UJVZCFXUHFVZDL-ZACQAIPSSA-N 2 2 364.494 0.818 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCc2c[nH+]cn2C)ccc1N1CC[NH+](C)CC1 ZINC001261906256 1260213538 /nfs/dbraw/zinc/21/35/38/1260213538.db2.gz RCGCCOXIFCSHAY-UHFFFAOYSA-N 2 2 370.457 0.735 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001262031419 1260248055 /nfs/dbraw/zinc/24/80/55/1260248055.db2.gz QWOSWTYGIVLOHF-INIZCTEOSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930123 1260257184 /nfs/dbraw/zinc/25/71/84/1260257184.db2.gz VYNIAYUQNOMBBG-WMLDXEAASA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1)[NH+]1CCOCC1 ZINC001336930123 1260257192 /nfs/dbraw/zinc/25/71/92/1260257192.db2.gz VYNIAYUQNOMBBG-WMLDXEAASA-N 2 2 360.458 0.839 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc([C@@H](O)COC)n3C)CC2)CC1 ZINC001262840740 1260332356 /nfs/dbraw/zinc/33/23/56/1260332356.db2.gz JNIAEGDABOWAGL-INIZCTEOSA-N 2 2 366.510 0.491 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc([C@@H](O)COC)n3C)CC2)CC1 ZINC001262840740 1260332364 /nfs/dbraw/zinc/33/23/64/1260332364.db2.gz JNIAEGDABOWAGL-INIZCTEOSA-N 2 2 366.510 0.491 20 0 FCADLP C[C@H](c1cnccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265258209 1260410277 /nfs/dbraw/zinc/41/02/77/1260410277.db2.gz BWLQKZIGRKVMPX-BRWVUGGUSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@H](c1cnccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265258209 1260410280 /nfs/dbraw/zinc/41/02/80/1260410280.db2.gz BWLQKZIGRKVMPX-BRWVUGGUSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@H](c1cnccn1)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265258209 1260410285 /nfs/dbraw/zinc/41/02/85/1260410285.db2.gz BWLQKZIGRKVMPX-BRWVUGGUSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@H](c1cnccn1)[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265258209 1260410287 /nfs/dbraw/zinc/41/02/87/1260410287.db2.gz BWLQKZIGRKVMPX-BRWVUGGUSA-N 2 2 360.506 0.612 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)cc2)CC1 ZINC001337602009 1260437523 /nfs/dbraw/zinc/43/75/23/1260437523.db2.gz RAWMBCKSJAXIEH-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)cc2)CC1 ZINC001337602009 1260437526 /nfs/dbraw/zinc/43/75/26/1260437526.db2.gz RAWMBCKSJAXIEH-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001271682482 1260446585 /nfs/dbraw/zinc/44/65/85/1260446585.db2.gz DZLAJVHXCUMDKT-INIZCTEOSA-N 2 2 357.458 0.428 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001279313157 1260835927 /nfs/dbraw/zinc/83/59/27/1260835927.db2.gz ISXYKOJHRHTXAC-LPHOPBHVSA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001279313157 1260835931 /nfs/dbraw/zinc/83/59/31/1260835931.db2.gz ISXYKOJHRHTXAC-LPHOPBHVSA-N 2 2 365.474 0.856 20 0 FCADLP COC(=O)c1ccnc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)c1 ZINC001279343757 1260844243 /nfs/dbraw/zinc/84/42/43/1260844243.db2.gz RRCINFPORAHIEY-UHFFFAOYSA-N 2 2 360.458 0.854 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001279473484 1260876752 /nfs/dbraw/zinc/87/67/52/1260876752.db2.gz CPFZEEYUGUXCOI-OKYOBFRVSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001279473484 1260876759 /nfs/dbraw/zinc/87/67/59/1260876759.db2.gz CPFZEEYUGUXCOI-OKYOBFRVSA-N 2 2 363.502 0.951 20 0 FCADLP CCOC(=O)CC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280091537 1260998997 /nfs/dbraw/zinc/99/89/97/1260998997.db2.gz UGMPCBQTFNKTMZ-KDOFPFPSSA-N 2 2 363.462 0.801 20 0 FCADLP CCOC(=O)CC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280091537 1260999001 /nfs/dbraw/zinc/99/90/01/1260999001.db2.gz UGMPCBQTFNKTMZ-KDOFPFPSSA-N 2 2 363.462 0.801 20 0 FCADLP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CC[C@H](C(=O)NCc2c[nH]cn2)O3)CC1 ZINC001280210906 1261034424 /nfs/dbraw/zinc/03/44/24/1261034424.db2.gz JKYHIGMERQUQFQ-MRXNPFEDSA-N 2 2 361.490 0.991 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259731 1261043359 /nfs/dbraw/zinc/04/33/59/1261043359.db2.gz ZSZSGOYHVANFDP-VNQPRFMTSA-N 2 2 364.465 0.975 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259731 1261043362 /nfs/dbraw/zinc/04/33/62/1261043362.db2.gz ZSZSGOYHVANFDP-VNQPRFMTSA-N 2 2 364.465 0.975 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259731 1261043365 /nfs/dbraw/zinc/04/33/65/1261043365.db2.gz ZSZSGOYHVANFDP-VNQPRFMTSA-N 2 2 364.465 0.975 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3C(C(=O)N4CC(F)(C5CC5)C4)=NO[C@@H]3C2)C1 ZINC001280259731 1261043368 /nfs/dbraw/zinc/04/33/68/1261043368.db2.gz ZSZSGOYHVANFDP-VNQPRFMTSA-N 2 2 364.465 0.975 20 0 FCADLP Cc1c(C[N@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)cnn1C ZINC001280339111 1261057665 /nfs/dbraw/zinc/05/76/65/1261057665.db2.gz QJVVHHFVNPJCHB-JKSUJKDBSA-N 2 2 360.462 0.126 20 0 FCADLP Cc1c(C[N@@H+]2C[C@@H]3C(C(=O)NC4CC[NH+](C)CC4)=NO[C@@H]3C2)cnn1C ZINC001280339111 1261057668 /nfs/dbraw/zinc/05/76/68/1261057668.db2.gz QJVVHHFVNPJCHB-JKSUJKDBSA-N 2 2 360.462 0.126 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1 ZINC001332369938 1266388292 /nfs/dbraw/zinc/38/82/92/1266388292.db2.gz FRBKVSXZNRIPGI-UHFFFAOYSA-N 2 2 373.457 0.997 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001282300860 1261409150 /nfs/dbraw/zinc/40/91/50/1261409150.db2.gz IAKOJWUYVYIWBM-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001282300860 1261409153 /nfs/dbraw/zinc/40/91/53/1261409153.db2.gz IAKOJWUYVYIWBM-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CCc1ccc([C@H](CNS(=O)(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC001474776318 1261511408 /nfs/dbraw/zinc/51/14/08/1261511408.db2.gz RBNPICCAWCXEJM-KRWDZBQOSA-N 2 2 354.520 0.934 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21)[NH+](C)C ZINC001284177957 1261736768 /nfs/dbraw/zinc/73/67/68/1261736768.db2.gz CWRYUDLEAIOTHQ-ALOQXXIVSA-N 2 2 359.474 0.437 20 0 FCADLP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284286737 1261744061 /nfs/dbraw/zinc/74/40/61/1261744061.db2.gz UTJOXEWMCBDGSS-RBSFLKMASA-N 2 2 359.474 0.773 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C)CC[N@@H+]1C ZINC001288221092 1262013074 /nfs/dbraw/zinc/01/30/74/1262013074.db2.gz GPDBVJLPZRLRAU-BMFZPTHFSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C)CC[N@H+]1C ZINC001288221092 1262013077 /nfs/dbraw/zinc/01/30/77/1262013077.db2.gz GPDBVJLPZRLRAU-BMFZPTHFSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580343274 1278140365 /nfs/dbraw/zinc/14/03/65/1278140365.db2.gz HADPMMMXPLYGGF-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580343274 1278140370 /nfs/dbraw/zinc/14/03/70/1278140370.db2.gz HADPMMMXPLYGGF-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C[NH+]1CCN(C)CC1 ZINC001292958246 1262707147 /nfs/dbraw/zinc/70/71/47/1262707147.db2.gz IGSFOWRZIDYQGP-AWEZNQCLSA-N 2 2 373.505 0.648 20 0 FCADLP CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001297265624 1262857706 /nfs/dbraw/zinc/85/77/06/1262857706.db2.gz LOLSXTGNWIOQKB-BFYDXBDKSA-N 2 2 361.490 0.684 20 0 FCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001297335032 1262862437 /nfs/dbraw/zinc/86/24/37/1262862437.db2.gz SVDSZKKZNPKUGI-BFYDXBDKSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001297335032 1262862442 /nfs/dbraw/zinc/86/24/42/1262862442.db2.gz SVDSZKKZNPKUGI-BFYDXBDKSA-N 2 2 361.490 0.752 20 0 FCADLP OC[C@@]12COCCN1CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001308110589 1263210572 /nfs/dbraw/zinc/21/05/72/1263210572.db2.gz LFYRPEOMLGRRRS-FQEVSTJZSA-N 2 2 361.486 0.398 20 0 FCADLP OC[C@@]12COCCN1CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001308110589 1263210581 /nfs/dbraw/zinc/21/05/81/1263210581.db2.gz LFYRPEOMLGRRRS-FQEVSTJZSA-N 2 2 361.486 0.398 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(=O)[nH]n3)CC2)CC1 ZINC001312753618 1263286517 /nfs/dbraw/zinc/28/65/17/1263286517.db2.gz BVCLTAKDSNAXGI-UHFFFAOYSA-N 2 2 362.478 0.884 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc(=O)[nH]n3)CC2)CC1 ZINC001312753618 1263286527 /nfs/dbraw/zinc/28/65/27/1263286527.db2.gz BVCLTAKDSNAXGI-UHFFFAOYSA-N 2 2 362.478 0.884 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001479673141 1263335817 /nfs/dbraw/zinc/33/58/17/1263335817.db2.gz IATPJVNTKQGHFI-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001479673141 1263335828 /nfs/dbraw/zinc/33/58/28/1263335828.db2.gz IATPJVNTKQGHFI-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001479673141 1263335840 /nfs/dbraw/zinc/33/58/40/1263335840.db2.gz IATPJVNTKQGHFI-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001479673141 1263335854 /nfs/dbraw/zinc/33/58/54/1263335854.db2.gz IATPJVNTKQGHFI-CABCVRRESA-N 2 2 363.462 0.735 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001479672731 1263337348 /nfs/dbraw/zinc/33/73/48/1263337348.db2.gz ZQWWXOVGCSYOMY-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001479672731 1263337359 /nfs/dbraw/zinc/33/73/59/1263337359.db2.gz ZQWWXOVGCSYOMY-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC001580383841 1278199720 /nfs/dbraw/zinc/19/97/20/1278199720.db2.gz JGTPXQFYNRSUBO-DYVFJYSZSA-N 2 2 359.430 0.492 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001480157794 1263424920 /nfs/dbraw/zinc/42/49/20/1263424920.db2.gz DASPLZVKEIRMGE-RFBLXINOSA-N 2 2 358.446 0.018 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001317089274 1263502505 /nfs/dbraw/zinc/50/25/05/1263502505.db2.gz XIDARLLBHGEKOQ-AAVRWANBSA-N 2 2 369.429 0.189 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(O)CC[NH+](C)CC3)CC2)CC1 ZINC001318799589 1263611165 /nfs/dbraw/zinc/61/11/65/1263611165.db2.gz HJNYMISYPQPJTQ-UHFFFAOYSA-N 3 2 367.538 0.301 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257706 1263646726 /nfs/dbraw/zinc/64/67/26/1263646726.db2.gz UBSUAMKNXWUSJN-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492257706 1263646730 /nfs/dbraw/zinc/64/67/30/1263646730.db2.gz UBSUAMKNXWUSJN-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492257706 1263646737 /nfs/dbraw/zinc/64/67/37/1263646737.db2.gz UBSUAMKNXWUSJN-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP C[C@H](C(=O)Nc1nccs1)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492257706 1263646739 /nfs/dbraw/zinc/64/67/39/1263646739.db2.gz UBSUAMKNXWUSJN-JHJVBQTASA-N 2 2 353.492 0.858 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1 ZINC001522641106 1266568625 /nfs/dbraw/zinc/56/86/25/1266568625.db2.gz XGDGLNCILGMOJR-UHFFFAOYSA-N 2 2 355.442 0.496 20 0 FCADLP Cc1nnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001494091833 1263752150 /nfs/dbraw/zinc/75/21/50/1263752150.db2.gz HFFOFKIIZHEQRR-GDBMZVCRSA-N 2 2 363.510 0.029 20 0 FCADLP Cc1nnc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001494091833 1263752156 /nfs/dbraw/zinc/75/21/56/1263752156.db2.gz HFFOFKIIZHEQRR-GDBMZVCRSA-N 2 2 363.510 0.029 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001320376421 1263789522 /nfs/dbraw/zinc/78/95/22/1263789522.db2.gz OUMJOQGIDRDARR-QRQLOZEOSA-N 2 2 364.534 0.724 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001320376421 1263789529 /nfs/dbraw/zinc/78/95/29/1263789529.db2.gz OUMJOQGIDRDARR-QRQLOZEOSA-N 2 2 364.534 0.724 20 0 FCADLP COC[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC001495190965 1263804574 /nfs/dbraw/zinc/80/45/74/1263804574.db2.gz GLNIDJVDNRNCJP-RBSFLKMASA-N 2 2 350.463 0.550 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001321598242 1264006082 /nfs/dbraw/zinc/00/60/82/1264006082.db2.gz LNXRIRANFMRBFZ-MRXNPFEDSA-N 2 2 359.474 0.575 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001321598242 1264006094 /nfs/dbraw/zinc/00/60/94/1264006094.db2.gz LNXRIRANFMRBFZ-MRXNPFEDSA-N 2 2 359.474 0.575 20 0 FCADLP CCc1nnc(N2CC[NH+](CCOC)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001499195373 1264011022 /nfs/dbraw/zinc/01/10/22/1264011022.db2.gz BPSCDASCOMNNOL-INIZCTEOSA-N 2 2 366.510 0.330 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001322783690 1264264338 /nfs/dbraw/zinc/26/43/38/1264264338.db2.gz ZLXMDDNXFVCFNE-SFHVURJKSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC001322783690 1264264345 /nfs/dbraw/zinc/26/43/45/1264264345.db2.gz ZLXMDDNXFVCFNE-SFHVURJKSA-N 2 2 372.513 0.938 20 0 FCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001509481076 1264456155 /nfs/dbraw/zinc/45/61/55/1264456155.db2.gz NZOZJPSFVFYQPJ-CKEIUWERSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001509481076 1264456166 /nfs/dbraw/zinc/45/61/66/1264456166.db2.gz NZOZJPSFVFYQPJ-CKEIUWERSA-N 2 2 361.490 0.656 20 0 FCADLP COC(=O)c1cnc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001323577499 1264460089 /nfs/dbraw/zinc/46/00/89/1264460089.db2.gz CSKGGCCLNTYSBQ-CQSZACIVSA-N 2 2 361.446 0.504 20 0 FCADLP COC(=O)c1cnc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001323577499 1264460092 /nfs/dbraw/zinc/46/00/92/1264460092.db2.gz CSKGGCCLNTYSBQ-CQSZACIVSA-N 2 2 361.446 0.504 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001323716427 1264494086 /nfs/dbraw/zinc/49/40/86/1264494086.db2.gz RMQRXKXVEPDNBK-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OC)[NH+](C)C ZINC001513401419 1265102068 /nfs/dbraw/zinc/10/20/68/1265102068.db2.gz XRJAIUVOLWHQFA-MGPQQGTHSA-N 2 2 351.451 0.025 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1c[nH+]cn1C ZINC001580408348 1278248435 /nfs/dbraw/zinc/24/84/35/1278248435.db2.gz HOOGATLQJFJTTQ-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC34CCC(CC3)C4)C2)CC1 ZINC001326624451 1265145214 /nfs/dbraw/zinc/14/52/14/1265145214.db2.gz SQVUAJUALXDBTA-LFDOHDQPSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC34CCC(CC3)C4)C2)CC1 ZINC001326624451 1265145216 /nfs/dbraw/zinc/14/52/16/1265145216.db2.gz SQVUAJUALXDBTA-LFDOHDQPSA-N 2 2 362.518 0.968 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)CN2CC[C@H](c3ccccc3)NC2=O)CC1 ZINC001522639088 1266567627 /nfs/dbraw/zinc/56/76/27/1266567627.db2.gz JGPGWDLXRKNSEU-QGZVFWFLSA-N 2 2 359.474 0.682 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCCn1cc[nH+]c1 ZINC001580417947 1278269213 /nfs/dbraw/zinc/26/92/13/1278269213.db2.gz TVLMOSGNDMFDIQ-GFCCVEGCSA-N 2 2 355.406 0.277 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399368 1266896080 /nfs/dbraw/zinc/89/60/80/1266896080.db2.gz HQPDJCJOPITPCE-VQIMIIECSA-N 2 2 358.486 0.523 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399368 1266896091 /nfs/dbraw/zinc/89/60/91/1266896091.db2.gz HQPDJCJOPITPCE-VQIMIIECSA-N 2 2 358.486 0.523 20 0 FCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001334257412 1266913464 /nfs/dbraw/zinc/91/34/64/1266913464.db2.gz ZJXROAANSSZNCF-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001334257412 1266913470 /nfs/dbraw/zinc/91/34/70/1266913470.db2.gz ZJXROAANSSZNCF-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001528252930 1266957963 /nfs/dbraw/zinc/95/79/63/1266957963.db2.gz CNLJMJFWOPAUCQ-KURKYZTESA-N 2 2 367.538 0.565 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001528434882 1266969787 /nfs/dbraw/zinc/96/97/87/1266969787.db2.gz XKJFVOMBMZHNCR-QGZVFWFLSA-N 2 2 368.570 0.338 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001529663728 1267070615 /nfs/dbraw/zinc/07/06/15/1267070615.db2.gz BMVHBJHMRYSARR-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001529663728 1267070623 /nfs/dbraw/zinc/07/06/23/1267070623.db2.gz BMVHBJHMRYSARR-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1)C2 ZINC001334720872 1267150959 /nfs/dbraw/zinc/15/09/59/1267150959.db2.gz LETXMWUXZLOEKM-YLJYHZDGSA-N 2 2 367.453 0.887 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152276 1267831320 /nfs/dbraw/zinc/83/13/20/1267831320.db2.gz BPQWQVZDCLIOPT-YSLLHCQFSA-N 2 2 360.462 0.522 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152276 1267831333 /nfs/dbraw/zinc/83/13/33/1267831333.db2.gz BPQWQVZDCLIOPT-YSLLHCQFSA-N 2 2 360.462 0.522 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC001549154461 1267832784 /nfs/dbraw/zinc/83/27/84/1267832784.db2.gz XLHGBKFORPGAIC-JDFRZJQESA-N 2 2 362.478 0.769 20 0 FCADLP CC1CC[NH+](CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549158945 1267838187 /nfs/dbraw/zinc/83/81/87/1267838187.db2.gz SQOWWNLYUNOMSE-PBHICJAKSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001549176641 1267852973 /nfs/dbraw/zinc/85/29/73/1267852973.db2.gz QUHXEHPKUPXAPM-YOEHRIQHSA-N 2 2 374.489 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC001549176451 1267853344 /nfs/dbraw/zinc/85/33/44/1267853344.db2.gz GZXSBYPWUPKSTC-PBHICJAKSA-N 2 2 374.420 0.837 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001549176822 1267853946 /nfs/dbraw/zinc/85/39/46/1267853946.db2.gz XPRUFZPCMJSUNB-JKIFEVAISA-N 2 2 356.430 0.739 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001549176358 1267854024 /nfs/dbraw/zinc/85/40/24/1267854024.db2.gz CXCKNIVTWPWNEF-JEJJNBGPSA-N 2 2 360.462 0.509 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339269 1267913493 /nfs/dbraw/zinc/91/34/93/1267913493.db2.gz QYPSHTGEZRFZPT-WMLDXEAASA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339269 1267913498 /nfs/dbraw/zinc/91/34/98/1267913498.db2.gz QYPSHTGEZRFZPT-WMLDXEAASA-N 2 2 360.458 0.839 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339268 1267913851 /nfs/dbraw/zinc/91/38/51/1267913851.db2.gz QYPSHTGEZRFZPT-RHSMWYFYSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339268 1267913859 /nfs/dbraw/zinc/91/38/59/1267913859.db2.gz QYPSHTGEZRFZPT-RHSMWYFYSA-N 2 2 360.458 0.839 20 0 FCADLP C[NH+](C)[C@@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549559704 1267955014 /nfs/dbraw/zinc/95/50/14/1267955014.db2.gz DAKYAMHYZSPFPJ-HUUCEWRRSA-N 2 2 372.477 0.411 20 0 FCADLP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001549739949 1267985287 /nfs/dbraw/zinc/98/52/87/1267985287.db2.gz IYNDRZSHJAOEJH-IAGOWNOFSA-N 2 2 374.489 0.429 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894739 1268015129 /nfs/dbraw/zinc/01/51/29/1268015129.db2.gz ORFOXTHOMHCTBH-NJAFHUGGSA-N 2 2 371.485 0.592 20 0 FCADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)C1=O ZINC001549894739 1268015141 /nfs/dbraw/zinc/01/51/41/1268015141.db2.gz ORFOXTHOMHCTBH-NJAFHUGGSA-N 2 2 371.485 0.592 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009269 1268048091 /nfs/dbraw/zinc/04/80/91/1268048091.db2.gz YHNAAXIDFBSRNS-PMACEKPBSA-N 2 2 372.513 0.736 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009269 1268048103 /nfs/dbraw/zinc/04/81/03/1268048103.db2.gz YHNAAXIDFBSRNS-PMACEKPBSA-N 2 2 372.513 0.736 20 0 FCADLP C[NH+]1CCN(Cc2ccc(CNC(=O)C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC001338779991 1268089729 /nfs/dbraw/zinc/08/97/29/1268089729.db2.gz CAFJXVOAJIVIEJ-UHFFFAOYSA-N 2 2 374.529 0.755 20 0 FCADLP CN1CC[NH+](Cc2ccc(CNC(=O)C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC001338779991 1268089736 /nfs/dbraw/zinc/08/97/36/1268089736.db2.gz CAFJXVOAJIVIEJ-UHFFFAOYSA-N 2 2 374.529 0.755 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)nn1 ZINC001550238954 1268093712 /nfs/dbraw/zinc/09/37/12/1268093712.db2.gz WSEUJDHYZSIJIP-FRFSOERESA-N 2 2 373.461 0.467 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCOC[C@H]([NH3+])C3)C2)c1 ZINC001550283194 1268103759 /nfs/dbraw/zinc/10/37/59/1268103759.db2.gz OAKAJAGTCAIMDP-MSOLQXFVSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCOC[C@H]([NH3+])C3)C2)c1 ZINC001550283194 1268103763 /nfs/dbraw/zinc/10/37/63/1268103763.db2.gz OAKAJAGTCAIMDP-MSOLQXFVSA-N 2 2 362.474 0.565 20 0 FCADLP C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001550401127 1268111691 /nfs/dbraw/zinc/11/16/91/1268111691.db2.gz JBJIUHSVLBFJRP-ZWKOTPCHSA-N 2 2 359.470 0.897 20 0 FCADLP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001550401127 1268111693 /nfs/dbraw/zinc/11/16/93/1268111693.db2.gz JBJIUHSVLBFJRP-ZWKOTPCHSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001550401127 1268111700 /nfs/dbraw/zinc/11/17/00/1268111700.db2.gz JBJIUHSVLBFJRP-ZWKOTPCHSA-N 2 2 359.470 0.897 20 0 FCADLP C[NH+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001550401127 1268111705 /nfs/dbraw/zinc/11/17/05/1268111705.db2.gz JBJIUHSVLBFJRP-ZWKOTPCHSA-N 2 2 359.470 0.897 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001339000294 1268144724 /nfs/dbraw/zinc/14/47/24/1268144724.db2.gz YLFUGJNDXQZCLJ-UHFFFAOYSA-N 2 2 368.522 0.140 20 0 FCADLP O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC001551586217 1268280065 /nfs/dbraw/zinc/28/00/65/1268280065.db2.gz BYNQXRRMKPNGIR-FUHWJXTLSA-N 2 2 374.489 0.876 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936235 1268311418 /nfs/dbraw/zinc/31/14/18/1268311418.db2.gz FVMBYRHHEHQNQW-ARFHVFGLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936235 1268311433 /nfs/dbraw/zinc/31/14/33/1268311433.db2.gz FVMBYRHHEHQNQW-ARFHVFGLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937515 1268311718 /nfs/dbraw/zinc/31/17/18/1268311718.db2.gz MEOLLCSJCREOBC-RBSFLKMASA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551937515 1268311725 /nfs/dbraw/zinc/31/17/25/1268311725.db2.gz MEOLLCSJCREOBC-RBSFLKMASA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937515 1268311735 /nfs/dbraw/zinc/31/17/35/1268311735.db2.gz MEOLLCSJCREOBC-RBSFLKMASA-N 2 2 362.478 0.204 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551937515 1268311739 /nfs/dbraw/zinc/31/17/39/1268311739.db2.gz MEOLLCSJCREOBC-RBSFLKMASA-N 2 2 362.478 0.204 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@@H+]1C ZINC001551938423 1268315620 /nfs/dbraw/zinc/31/56/20/1268315620.db2.gz IYHFECHBMQHDHH-LXTVHRRPSA-N 2 2 362.478 0.499 20 0 FCADLP CC[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](OC)CN2c2cc(N)nc[nH+]2)CC[N@H+]1C ZINC001551938423 1268315628 /nfs/dbraw/zinc/31/56/28/1268315628.db2.gz IYHFECHBMQHDHH-LXTVHRRPSA-N 2 2 362.478 0.499 20 0 FCADLP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC001552013309 1268351862 /nfs/dbraw/zinc/35/18/62/1268351862.db2.gz YVHRYNTXGHVUMQ-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552149140 1268394270 /nfs/dbraw/zinc/39/42/70/1268394270.db2.gz SFVQWCGOXVBQLX-HUUCEWRRSA-N 2 2 369.473 0.648 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001580499883 1278408515 /nfs/dbraw/zinc/40/85/15/1278408515.db2.gz UTXOOOMUPBLKKO-SHTZXODSSA-N 2 2 366.429 0.878 20 0 FCADLP Cc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435935 1268463115 /nfs/dbraw/zinc/46/31/15/1268463115.db2.gz OXOBZCCZUZCHPY-CYBMUJFWSA-N 2 2 356.421 0.922 20 0 FCADLP Cc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435935 1268463119 /nfs/dbraw/zinc/46/31/19/1268463119.db2.gz OXOBZCCZUZCHPY-CYBMUJFWSA-N 2 2 356.421 0.922 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001340334583 1268513164 /nfs/dbraw/zinc/51/31/64/1268513164.db2.gz DLEFDTOECIJKOU-MRXNPFEDSA-N 2 2 368.522 0.402 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CCO1 ZINC001552693105 1268521392 /nfs/dbraw/zinc/52/13/92/1268521392.db2.gz NIRKGHNUWURTKV-HIFRSBDPSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CCO1 ZINC001552693105 1268521400 /nfs/dbraw/zinc/52/14/00/1268521400.db2.gz NIRKGHNUWURTKV-HIFRSBDPSA-N 2 2 350.467 0.561 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC001552691880 1268521781 /nfs/dbraw/zinc/52/17/81/1268521781.db2.gz XNGBORODTXHWJD-BFYDXBDKSA-N 2 2 362.478 0.657 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CC1 ZINC001552700017 1268524349 /nfs/dbraw/zinc/52/43/49/1268524349.db2.gz PHIFUYVTTIAKCR-UHFFFAOYSA-N 2 2 362.478 0.161 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CC1 ZINC001552700017 1268524354 /nfs/dbraw/zinc/52/43/54/1268524354.db2.gz PHIFUYVTTIAKCR-UHFFFAOYSA-N 2 2 362.478 0.161 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723222 1268536721 /nfs/dbraw/zinc/53/67/21/1268536721.db2.gz VZPGXHUZXAPZIU-FUHWJXTLSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)n1 ZINC001552723222 1268536729 /nfs/dbraw/zinc/53/67/29/1268536729.db2.gz VZPGXHUZXAPZIU-FUHWJXTLSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC001552723222 1268536735 /nfs/dbraw/zinc/53/67/35/1268536735.db2.gz VZPGXHUZXAPZIU-FUHWJXTLSA-N 2 2 369.469 0.903 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1 ZINC001552723222 1268536739 /nfs/dbraw/zinc/53/67/39/1268536739.db2.gz VZPGXHUZXAPZIU-FUHWJXTLSA-N 2 2 369.469 0.903 20 0 FCADLP CN1CC[NH+]([C@H]2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770519 1268543046 /nfs/dbraw/zinc/54/30/46/1268543046.db2.gz WLDDCAGAACJWHI-KRWDZBQOSA-N 2 2 366.554 0.044 20 0 FCADLP CN1CC[NH+]([C@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC001552770519 1268543054 /nfs/dbraw/zinc/54/30/54/1268543054.db2.gz WLDDCAGAACJWHI-KRWDZBQOSA-N 2 2 366.554 0.044 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552838698 1268557322 /nfs/dbraw/zinc/55/73/22/1268557322.db2.gz QAUYKSBILFJEPW-BDAKNGLRSA-N 2 2 364.347 0.725 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001553002113 1268576713 /nfs/dbraw/zinc/57/67/13/1268576713.db2.gz HRXWFUIQVYJRLI-BTWZCHHXSA-N 2 2 361.490 0.977 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001553002113 1268576715 /nfs/dbraw/zinc/57/67/15/1268576715.db2.gz HRXWFUIQVYJRLI-BTWZCHHXSA-N 2 2 361.490 0.977 20 0 FCADLP C[N@@H+]1CC[C@@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368424 1268638298 /nfs/dbraw/zinc/63/82/98/1268638298.db2.gz GSMLDZOJIHQKEZ-YLJYHZDGSA-N 3 2 364.534 0.679 20 0 FCADLP C[N@H+]1CC[C@@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368424 1268638308 /nfs/dbraw/zinc/63/83/08/1268638308.db2.gz GSMLDZOJIHQKEZ-YLJYHZDGSA-N 3 2 364.534 0.679 20 0 FCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)CC2)cn1 ZINC001553405757 1268645752 /nfs/dbraw/zinc/64/57/52/1268645752.db2.gz DEBFEUWEKNDBOA-FGTMMUONSA-N 2 2 361.490 0.847 20 0 FCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)CC2)cn1 ZINC001553405757 1268645763 /nfs/dbraw/zinc/64/57/63/1268645763.db2.gz DEBFEUWEKNDBOA-FGTMMUONSA-N 2 2 361.490 0.847 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001553414697 1268646875 /nfs/dbraw/zinc/64/68/75/1268646875.db2.gz RWCDAFSURZZNGS-IQRFUGTFSA-N 2 2 359.470 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC001553414697 1268646880 /nfs/dbraw/zinc/64/68/80/1268646880.db2.gz RWCDAFSURZZNGS-IQRFUGTFSA-N 2 2 359.470 0.772 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[NH+]1CCOCC1 ZINC001553443300 1268650324 /nfs/dbraw/zinc/65/03/24/1268650324.db2.gz HCMPBZKINOGYRB-FCEWJHQRSA-N 2 2 368.522 0.883 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340772019 1268652097 /nfs/dbraw/zinc/65/20/97/1268652097.db2.gz CAIYYRTUWZAYRL-KRWDZBQOSA-N 2 2 372.469 0.902 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340772019 1268652103 /nfs/dbraw/zinc/65/21/03/1268652103.db2.gz CAIYYRTUWZAYRL-KRWDZBQOSA-N 2 2 372.469 0.902 20 0 FCADLP C[C@H]1Cn2nc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2C[NH2+]1 ZINC001340951727 1268722061 /nfs/dbraw/zinc/72/20/61/1268722061.db2.gz JFORFJSQIZJGPO-ZDUSSCGKSA-N 2 2 355.446 0.774 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1 ZINC001554035582 1268745119 /nfs/dbraw/zinc/74/51/19/1268745119.db2.gz HYNFWHULGBCHIJ-WBVHZDCISA-N 2 2 367.413 0.804 20 0 FCADLP CC1=C(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Cn2nnnc2N1C ZINC001565696197 1269489030 /nfs/dbraw/zinc/48/90/30/1269489030.db2.gz NZUIMLQXCOFRNX-HNNXBMFYSA-N 2 2 374.493 0.024 20 0 FCADLP CC1=C(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Cn2nnnc2N1C ZINC001565696197 1269489034 /nfs/dbraw/zinc/48/90/34/1269489034.db2.gz NZUIMLQXCOFRNX-HNNXBMFYSA-N 2 2 374.493 0.024 20 0 FCADLP CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001342936805 1269688734 /nfs/dbraw/zinc/68/87/34/1269688734.db2.gz WCMPALDRLJVKIB-HUUCEWRRSA-N 2 2 363.462 0.100 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001569419164 1269784245 /nfs/dbraw/zinc/78/42/45/1269784245.db2.gz WFHTUZLXHGLFLW-MGPQQGTHSA-N 2 2 366.487 0.197 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN3CCCS3(=O)=O)CC2)CC1 ZINC001570439634 1269884660 /nfs/dbraw/zinc/88/46/60/1269884660.db2.gz AOTKSAPFNKGVQF-UHFFFAOYSA-N 2 2 372.535 0.041 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN3CCCS3(=O)=O)CC2)CC1 ZINC001570439634 1269884671 /nfs/dbraw/zinc/88/46/71/1269884671.db2.gz AOTKSAPFNKGVQF-UHFFFAOYSA-N 2 2 372.535 0.041 20 0 FCADLP CN(CC(C)(C)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001570684308 1269905724 /nfs/dbraw/zinc/90/57/24/1269905724.db2.gz QILXTKUQJSVJNF-ZIAGYGMSSA-N 2 2 359.478 0.927 20 0 FCADLP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001344032629 1270081329 /nfs/dbraw/zinc/08/13/29/1270081329.db2.gz OVPACSRSRUTWSO-INIZCTEOSA-N 3 2 363.506 0.512 20 0 FCADLP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001344032629 1270081343 /nfs/dbraw/zinc/08/13/43/1270081343.db2.gz OVPACSRSRUTWSO-INIZCTEOSA-N 3 2 363.506 0.512 20 0 FCADLP CC(C)[C@H](C(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977609 1270972030 /nfs/dbraw/zinc/97/20/30/1270972030.db2.gz OLVQNKJPUIBROF-MRXNPFEDSA-N 2 2 357.462 0.753 20 0 FCADLP CC(C)[C@@H](C(=O)NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001573977608 1270972584 /nfs/dbraw/zinc/97/25/84/1270972584.db2.gz OLVQNKJPUIBROF-INIZCTEOSA-N 2 2 357.462 0.753 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574255188 1271125579 /nfs/dbraw/zinc/12/55/79/1271125579.db2.gz NOOSHWYTUZPNHH-IRXDYDNUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574255188 1271125583 /nfs/dbraw/zinc/12/55/83/1271125583.db2.gz NOOSHWYTUZPNHH-IRXDYDNUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574255188 1271125586 /nfs/dbraw/zinc/12/55/86/1271125586.db2.gz NOOSHWYTUZPNHH-IRXDYDNUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574255188 1271125589 /nfs/dbraw/zinc/12/55/89/1271125589.db2.gz NOOSHWYTUZPNHH-IRXDYDNUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260282 1271130569 /nfs/dbraw/zinc/13/05/69/1271130569.db2.gz FDSMGAUPTOPRKT-ZDUSSCGKSA-N 2 2 358.450 0.544 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260282 1271130576 /nfs/dbraw/zinc/13/05/76/1271130576.db2.gz FDSMGAUPTOPRKT-ZDUSSCGKSA-N 2 2 358.450 0.544 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260529 1271132606 /nfs/dbraw/zinc/13/26/06/1271132606.db2.gz LGLZBZIZAYBSAI-UHFFFAOYSA-N 2 2 351.480 0.816 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260529 1271132612 /nfs/dbraw/zinc/13/26/12/1271132612.db2.gz LGLZBZIZAYBSAI-UHFFFAOYSA-N 2 2 351.480 0.816 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260529 1271132621 /nfs/dbraw/zinc/13/26/21/1271132621.db2.gz LGLZBZIZAYBSAI-UHFFFAOYSA-N 2 2 351.480 0.816 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574260529 1271132625 /nfs/dbraw/zinc/13/26/25/1271132625.db2.gz LGLZBZIZAYBSAI-UHFFFAOYSA-N 2 2 351.480 0.816 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574260798 1271133542 /nfs/dbraw/zinc/13/35/42/1271133542.db2.gz XPGKSPPMFDBHDL-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574260798 1271133548 /nfs/dbraw/zinc/13/35/48/1271133548.db2.gz XPGKSPPMFDBHDL-UHFFFAOYSA-N 2 2 363.441 0.894 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574671427 1271473173 /nfs/dbraw/zinc/47/31/73/1271473173.db2.gz OAVPSJXOTOBPLH-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574671427 1271473186 /nfs/dbraw/zinc/47/31/86/1271473186.db2.gz OAVPSJXOTOBPLH-DOMZBBRYSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574805722 1271546942 /nfs/dbraw/zinc/54/69/42/1271546942.db2.gz XYHDKXBXRMVWHO-GFCCVEGCSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574852305 1271601981 /nfs/dbraw/zinc/60/19/81/1271601981.db2.gz CWQLROPDUFDJEV-GFCCVEGCSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875056 1271626752 /nfs/dbraw/zinc/62/67/52/1271626752.db2.gz VKUOCTUXECGLGA-WFASDCNBSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875056 1271626758 /nfs/dbraw/zinc/62/67/58/1271626758.db2.gz VKUOCTUXECGLGA-WFASDCNBSA-N 2 2 358.450 0.332 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CCOC3(CCC([NH3+])CC3)C2)CC1 ZINC001574986782 1271689303 /nfs/dbraw/zinc/68/93/03/1271689303.db2.gz CIZRVGFUZMPDLZ-UHFFFAOYSA-N 2 2 352.479 0.086 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@H+]2CCOC3(CCC([NH3+])CC3)C2)CC1 ZINC001574986782 1271689312 /nfs/dbraw/zinc/68/93/12/1271689312.db2.gz CIZRVGFUZMPDLZ-UHFFFAOYSA-N 2 2 352.479 0.086 20 0 FCADLP CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149904 1271749426 /nfs/dbraw/zinc/74/94/26/1271749426.db2.gz OUJZIFFZPCADGA-UGSOOPFHSA-N 2 2 355.479 0.676 20 0 FCADLP CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149904 1271749434 /nfs/dbraw/zinc/74/94/34/1271749434.db2.gz OUJZIFFZPCADGA-UGSOOPFHSA-N 2 2 355.479 0.676 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276073 1271865018 /nfs/dbraw/zinc/86/50/18/1271865018.db2.gz ONHCIQVQEGEXMW-PBHICJAKSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276073 1271865034 /nfs/dbraw/zinc/86/50/34/1271865034.db2.gz ONHCIQVQEGEXMW-PBHICJAKSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@H]2CC[N@@H+]2CCc2cn[nH]n2)C1 ZINC001575276073 1271865042 /nfs/dbraw/zinc/86/50/42/1271865042.db2.gz ONHCIQVQEGEXMW-PBHICJAKSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@H]2CC[N@H+]2CCc2cn[nH]n2)C1 ZINC001575276073 1271865066 /nfs/dbraw/zinc/86/50/66/1271865066.db2.gz ONHCIQVQEGEXMW-PBHICJAKSA-N 2 2 352.458 0.750 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001575382348 1272023811 /nfs/dbraw/zinc/02/38/11/1272023811.db2.gz AZGOQHZHYWVDRB-MNOVXSKESA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001575384875 1272029083 /nfs/dbraw/zinc/02/90/83/1272029083.db2.gz KPMCEHOMBAYUGZ-NEPJUHHUSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575388711 1272035632 /nfs/dbraw/zinc/03/56/32/1272035632.db2.gz YSALARXLAHASTL-CHWSQXEVSA-N 2 2 368.445 0.826 20 0 FCADLP C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001575391800 1272039462 /nfs/dbraw/zinc/03/94/62/1272039462.db2.gz LAOMDBBZXVEXBU-OLZOCXBDSA-N 2 2 368.445 0.826 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575401473 1272051977 /nfs/dbraw/zinc/05/19/77/1272051977.db2.gz QMSSJJXCDWBSPZ-STQMWFEESA-N 2 2 368.445 0.826 20 0 FCADLP O=C(CCNC(=O)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC001580672347 1278691954 /nfs/dbraw/zinc/69/19/54/1278691954.db2.gz BPOCASBVJWNXKL-DAYGRLMNSA-N 2 2 357.458 0.092 20 0 FCADLP CC(C)Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001575666972 1272279174 /nfs/dbraw/zinc/27/91/74/1272279174.db2.gz STKBXAUKASXBPK-HOTGVXAUSA-N 2 2 350.511 0.995 20 0 FCADLP CC(C)Cc1nnc(N2CC[NH2+][C@@H](C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001575666972 1272279186 /nfs/dbraw/zinc/27/91/86/1272279186.db2.gz STKBXAUKASXBPK-HOTGVXAUSA-N 2 2 350.511 0.995 20 0 FCADLP CC(C)OCc1nc([C@H](C)NC(=O)NCC[NH+]2CCC([NH3+])CC2)no1 ZINC001575799237 1272450278 /nfs/dbraw/zinc/45/02/78/1272450278.db2.gz PVNIJXLSOYOBFO-LBPRGKRZSA-N 2 2 354.455 0.778 20 0 FCADLP CC(C)OCc1nc([C@@H](C)NC(=O)NCC[NH+]2CCC([NH3+])CC2)no1 ZINC001575799236 1272450732 /nfs/dbraw/zinc/45/07/32/1272450732.db2.gz PVNIJXLSOYOBFO-GFCCVEGCSA-N 2 2 354.455 0.778 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575818670 1272478821 /nfs/dbraw/zinc/47/88/21/1272478821.db2.gz PJTDNDYDIJMQAW-SFHVURJKSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575818670 1272478829 /nfs/dbraw/zinc/47/88/29/1272478829.db2.gz PJTDNDYDIJMQAW-SFHVURJKSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576066759 1272817519 /nfs/dbraw/zinc/81/75/19/1272817519.db2.gz XFPLSIBDFIOILX-BZUAXINKSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576066761 1272817975 /nfs/dbraw/zinc/81/79/75/1272817975.db2.gz XFPLSIBDFIOILX-XHSDSOJGSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576124382 1272920662 /nfs/dbraw/zinc/92/06/62/1272920662.db2.gz AFRCXTZNFONBHP-OLZOCXBDSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256753 1273039255 /nfs/dbraw/zinc/03/92/55/1273039255.db2.gz SJCQRLAPJZCYLH-MLGOLLRUSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256753 1273039267 /nfs/dbraw/zinc/03/92/67/1273039267.db2.gz SJCQRLAPJZCYLH-MLGOLLRUSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576269927 1273064761 /nfs/dbraw/zinc/06/47/61/1273064761.db2.gz AVJRMJKHXHEOFZ-GXTWGEPZSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576270200 1273070485 /nfs/dbraw/zinc/07/04/85/1273070485.db2.gz FLARLHBEPXEGMO-DOMZBBRYSA-N 2 2 366.429 0.769 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001576437967 1273270139 /nfs/dbraw/zinc/27/01/39/1273270139.db2.gz ZAGAUDQYJMOPED-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484795 1273329374 /nfs/dbraw/zinc/32/93/74/1273329374.db2.gz APLPYVOEYJBNBH-RDJZCZTQSA-N 2 2 350.467 0.122 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484795 1273329381 /nfs/dbraw/zinc/32/93/81/1273329381.db2.gz APLPYVOEYJBNBH-RDJZCZTQSA-N 2 2 350.467 0.122 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576490849 1273341701 /nfs/dbraw/zinc/34/17/01/1273341701.db2.gz OHCKWQXZUPAWBN-JSGCOSHPSA-N 2 2 358.450 0.639 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499520 1273362024 /nfs/dbraw/zinc/36/20/24/1273362024.db2.gz RRDJYKYYTAJNFA-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499520 1273362027 /nfs/dbraw/zinc/36/20/27/1273362027.db2.gz RRDJYKYYTAJNFA-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499416 1273362286 /nfs/dbraw/zinc/36/22/86/1273362286.db2.gz KDDOALKYXDDNEM-CVEARBPZSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499416 1273362296 /nfs/dbraw/zinc/36/22/96/1273362296.db2.gz KDDOALKYXDDNEM-CVEARBPZSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1)[NH+](C)C ZINC001576501560 1273367794 /nfs/dbraw/zinc/36/77/94/1273367794.db2.gz XPEXSDHLVKHKAT-OAHLLOKOSA-N 2 2 372.477 0.865 20 0 FCADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576812525 1273727382 /nfs/dbraw/zinc/72/73/82/1273727382.db2.gz LMASTCQQJCVFBW-LBPRGKRZSA-N 2 2 355.406 0.277 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576836034 1273767845 /nfs/dbraw/zinc/76/78/45/1273767845.db2.gz VTLNTEVTZBKXLY-HNNXBMFYSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1[NH3+] ZINC001576837810 1273773959 /nfs/dbraw/zinc/77/39/59/1273773959.db2.gz LXTNRKRUYZQQGJ-KLHDSHLOSA-N 2 2 364.494 0.286 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1[NH3+] ZINC001576837810 1273773963 /nfs/dbraw/zinc/77/39/63/1273773963.db2.gz LXTNRKRUYZQQGJ-KLHDSHLOSA-N 2 2 364.494 0.286 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001580725107 1278812748 /nfs/dbraw/zinc/81/27/48/1278812748.db2.gz PKCLFMRTESLSDF-QGZVFWFLSA-N 2 2 358.490 0.871 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001576903578 1273910416 /nfs/dbraw/zinc/91/04/16/1273910416.db2.gz HNEIWOXOVVRLDY-KRWDZBQOSA-N 2 2 363.510 0.303 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001576903578 1273910424 /nfs/dbraw/zinc/91/04/24/1273910424.db2.gz HNEIWOXOVVRLDY-KRWDZBQOSA-N 2 2 363.510 0.303 20 0 FCADLP CCCCC(=O)NCC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577425034 1274403820 /nfs/dbraw/zinc/40/38/20/1274403820.db2.gz QUDJXHAXRKGFJT-UHFFFAOYSA-N 2 2 372.477 0.999 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577560834 1274509938 /nfs/dbraw/zinc/50/99/38/1274509938.db2.gz JDBJIEROSKBCBW-HNNXBMFYSA-N 2 2 372.477 0.935 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577560834 1274509941 /nfs/dbraw/zinc/50/99/41/1274509941.db2.gz JDBJIEROSKBCBW-HNNXBMFYSA-N 2 2 372.477 0.935 20 0 FCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577562583 1274513879 /nfs/dbraw/zinc/51/38/79/1274513879.db2.gz AWDJEBOCVISPCO-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577562583 1274513882 /nfs/dbraw/zinc/51/38/82/1274513882.db2.gz AWDJEBOCVISPCO-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577562583 1274513885 /nfs/dbraw/zinc/51/38/85/1274513885.db2.gz AWDJEBOCVISPCO-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001577562583 1274513889 /nfs/dbraw/zinc/51/38/89/1274513889.db2.gz AWDJEBOCVISPCO-UHFFFAOYSA-N 2 2 363.441 0.896 20 0 FCADLP CCCN(CCNC(=O)Cn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577613241 1274588474 /nfs/dbraw/zinc/58/84/74/1274588474.db2.gz TXPGPKJBUSHWAR-UHFFFAOYSA-N 2 2 355.406 0.491 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949221 1275169458 /nfs/dbraw/zinc/16/94/58/1275169458.db2.gz CYIMAUSFTXFTSM-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949221 1275169463 /nfs/dbraw/zinc/16/94/63/1275169463.db2.gz CYIMAUSFTXFTSM-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949221 1275169465 /nfs/dbraw/zinc/16/94/65/1275169465.db2.gz CYIMAUSFTXFTSM-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001577949221 1275169468 /nfs/dbraw/zinc/16/94/68/1275169468.db2.gz CYIMAUSFTXFTSM-ZDUSSCGKSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001578174877 1275468677 /nfs/dbraw/zinc/46/86/77/1275468677.db2.gz CAHJVDDFOISHBX-XYPHTWIQSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001578174877 1275468684 /nfs/dbraw/zinc/46/86/84/1275468684.db2.gz CAHJVDDFOISHBX-XYPHTWIQSA-N 2 2 361.490 0.704 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224568 1275524763 /nfs/dbraw/zinc/52/47/63/1275524763.db2.gz PFEWKLNZMFJMMQ-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224568 1275524768 /nfs/dbraw/zinc/52/47/68/1275524768.db2.gz PFEWKLNZMFJMMQ-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224568 1275524772 /nfs/dbraw/zinc/52/47/72/1275524772.db2.gz PFEWKLNZMFJMMQ-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578224568 1275524777 /nfs/dbraw/zinc/52/47/77/1275524777.db2.gz PFEWKLNZMFJMMQ-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CCc1nnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001578305115 1275640370 /nfs/dbraw/zinc/64/03/70/1275640370.db2.gz JOODMBZWGYMKIE-HOCLYGCPSA-N 2 2 371.489 0.904 20 0 FCADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC001578472001 1275883761 /nfs/dbraw/zinc/88/37/61/1275883761.db2.gz YKTNDPLVJRJKID-UHFFFAOYSA-N 3 2 359.518 0.168 20 0 FCADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC001578472001 1275883768 /nfs/dbraw/zinc/88/37/68/1275883768.db2.gz YKTNDPLVJRJKID-UHFFFAOYSA-N 3 2 359.518 0.168 20 0 FCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)CC1 ZINC001578532523 1275963463 /nfs/dbraw/zinc/96/34/63/1275963463.db2.gz KGCPAOXJPQYTJH-KRWDZBQOSA-N 2 2 359.474 0.068 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001578533001 1275963843 /nfs/dbraw/zinc/96/38/43/1275963843.db2.gz IZFHHCWUIAZEJU-ZSHCYNCHSA-N 2 2 357.458 0.661 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001578595453 1276028861 /nfs/dbraw/zinc/02/88/61/1276028861.db2.gz SYOSEDGTTSGPKB-KBUPBQIOSA-N 2 2 359.474 0.771 20 0 FCADLP C[NH2+]C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 ZINC001578654240 1276105233 /nfs/dbraw/zinc/10/52/33/1276105233.db2.gz KYCYJKAWFPXUKE-LZWOXQAQSA-N 2 2 352.479 0.748 20 0 FCADLP C[NH2+]C[C@H](O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 ZINC001578654240 1276105237 /nfs/dbraw/zinc/10/52/37/1276105237.db2.gz KYCYJKAWFPXUKE-LZWOXQAQSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(C(=O)Cc1cn3cccc(C)c3[nH+]1)C2 ZINC001578842523 1276361421 /nfs/dbraw/zinc/36/14/21/1276361421.db2.gz NXEROMPGKNTLOC-BIENJYKASA-N 2 2 356.426 0.924 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001578887050 1276422669 /nfs/dbraw/zinc/42/26/69/1276422669.db2.gz QWNAEYGBUCAGMC-OAHLLOKOSA-N 2 2 367.417 0.229 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001578980784 1276542260 /nfs/dbraw/zinc/54/22/60/1276542260.db2.gz PPQFUGKIPPBLFE-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001578980784 1276542261 /nfs/dbraw/zinc/54/22/61/1276542261.db2.gz PPQFUGKIPPBLFE-MRXNPFEDSA-N 2 2 373.461 0.135 20 0 FCADLP C[N@H+](CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579014686 1276590268 /nfs/dbraw/zinc/59/02/68/1276590268.db2.gz JIZRYVYFCMSSLH-UHFFFAOYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+](CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)C1CCC1 ZINC001579014686 1276590271 /nfs/dbraw/zinc/59/02/71/1276590271.db2.gz JIZRYVYFCMSSLH-UHFFFAOYSA-N 2 2 370.461 0.831 20 0 FCADLP CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579076574 1276692197 /nfs/dbraw/zinc/69/21/97/1276692197.db2.gz RUVUAKCRKCMXQX-AWEZNQCLSA-N 2 2 370.461 0.785 20 0 FCADLP CO[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001579115092 1276780772 /nfs/dbraw/zinc/78/07/72/1276780772.db2.gz WNRISOFNOZHHCM-OAGGEKHMSA-N 2 2 364.494 0.648 20 0 FCADLP CO[C@@H]1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001579115092 1276780781 /nfs/dbraw/zinc/78/07/81/1276780781.db2.gz WNRISOFNOZHHCM-OAGGEKHMSA-N 2 2 364.494 0.648 20 0 FCADLP CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cn1cc[nH+]c1 ZINC001579205407 1276994120 /nfs/dbraw/zinc/99/41/20/1276994120.db2.gz XNMWQTCAUVKHMR-UHFFFAOYSA-N 2 2 358.381 0.451 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579283822 1277103248 /nfs/dbraw/zinc/10/32/48/1277103248.db2.gz FDTZDNUJQSEFBS-SWLSCSKDSA-N 2 2 356.434 0.393 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579283822 1277103250 /nfs/dbraw/zinc/10/32/50/1277103250.db2.gz FDTZDNUJQSEFBS-SWLSCSKDSA-N 2 2 356.434 0.393 20 0 FCADLP COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1 ZINC001579319373 1277135137 /nfs/dbraw/zinc/13/51/37/1277135137.db2.gz ORXRHYHDWAMNMT-AWEZNQCLSA-N 2 2 371.445 0.609 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335188 1277173652 /nfs/dbraw/zinc/17/36/52/1277173652.db2.gz NYCMHFGFUXSLEN-DZGCQCFKSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335188 1277173655 /nfs/dbraw/zinc/17/36/55/1277173655.db2.gz NYCMHFGFUXSLEN-DZGCQCFKSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335188 1277173658 /nfs/dbraw/zinc/17/36/58/1277173658.db2.gz NYCMHFGFUXSLEN-DZGCQCFKSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579335188 1277173662 /nfs/dbraw/zinc/17/36/62/1277173662.db2.gz NYCMHFGFUXSLEN-DZGCQCFKSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335888 1277175910 /nfs/dbraw/zinc/17/59/10/1277175910.db2.gz WLIPIVYQZJJITI-NEPJUHHUSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335888 1277175912 /nfs/dbraw/zinc/17/59/12/1277175912.db2.gz WLIPIVYQZJJITI-NEPJUHHUSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335888 1277175959 /nfs/dbraw/zinc/17/59/59/1277175959.db2.gz WLIPIVYQZJJITI-NEPJUHHUSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335888 1277175962 /nfs/dbraw/zinc/17/59/62/1277175962.db2.gz WLIPIVYQZJJITI-NEPJUHHUSA-N 2 2 361.475 0.570 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579353155 1277212073 /nfs/dbraw/zinc/21/20/73/1277212073.db2.gz FDTZDNUJQSEFBS-DOMZBBRYSA-N 2 2 356.434 0.393 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579353155 1277212078 /nfs/dbraw/zinc/21/20/78/1277212078.db2.gz FDTZDNUJQSEFBS-DOMZBBRYSA-N 2 2 356.434 0.393 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355061 1277217047 /nfs/dbraw/zinc/21/70/47/1277217047.db2.gz CNOUUIVKKGQANA-QAPCUYQASA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355061 1277217050 /nfs/dbraw/zinc/21/70/50/1277217050.db2.gz CNOUUIVKKGQANA-QAPCUYQASA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358567 1277226815 /nfs/dbraw/zinc/22/68/15/1277226815.db2.gz GHVJUZUZAALKQS-BBRMVZONSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358567 1277226819 /nfs/dbraw/zinc/22/68/19/1277226819.db2.gz GHVJUZUZAALKQS-BBRMVZONSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358883 1277228563 /nfs/dbraw/zinc/22/85/63/1277228563.db2.gz LEVLWRZPQRILFR-CJNGLKHVSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358883 1277228566 /nfs/dbraw/zinc/22/85/66/1277228566.db2.gz LEVLWRZPQRILFR-CJNGLKHVSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359181 1277231984 /nfs/dbraw/zinc/23/19/84/1277231984.db2.gz PTOGJBUGHVFTTM-IUODEOHRSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359181 1277231985 /nfs/dbraw/zinc/23/19/85/1277231985.db2.gz PTOGJBUGHVFTTM-IUODEOHRSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359255 1277232248 /nfs/dbraw/zinc/23/22/48/1277232248.db2.gz QRRWOIJXVTXMOX-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359255 1277232254 /nfs/dbraw/zinc/23/22/54/1277232254.db2.gz QRRWOIJXVTXMOX-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359255 1277232263 /nfs/dbraw/zinc/23/22/63/1277232263.db2.gz QRRWOIJXVTXMOX-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359255 1277232264 /nfs/dbraw/zinc/23/22/64/1277232264.db2.gz QRRWOIJXVTXMOX-YPMHNXCESA-N 2 2 361.475 0.713 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366145 1277246490 /nfs/dbraw/zinc/24/64/90/1277246490.db2.gz OQCBIXLFMNDTTG-CVEARBPZSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366145 1277246492 /nfs/dbraw/zinc/24/64/92/1277246492.db2.gz OQCBIXLFMNDTTG-CVEARBPZSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372335 1277256408 /nfs/dbraw/zinc/25/64/08/1277256408.db2.gz YLYBXJWZHBBCNO-KOHJWAIASA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372335 1277256416 /nfs/dbraw/zinc/25/64/16/1277256416.db2.gz YLYBXJWZHBBCNO-KOHJWAIASA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381443 1277259804 /nfs/dbraw/zinc/25/98/04/1277259804.db2.gz HWUFACNGRZYOQK-ALKREAHSSA-N 2 2 367.457 0.856 20 0 FCADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381443 1277259814 /nfs/dbraw/zinc/25/98/14/1277259814.db2.gz HWUFACNGRZYOQK-ALKREAHSSA-N 2 2 367.457 0.856 20 0 FCADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381443 1277259823 /nfs/dbraw/zinc/25/98/23/1277259823.db2.gz HWUFACNGRZYOQK-ALKREAHSSA-N 2 2 367.457 0.856 20 0 FCADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@]2(C)C1 ZINC001579381443 1277259832 /nfs/dbraw/zinc/25/98/32/1277259832.db2.gz HWUFACNGRZYOQK-ALKREAHSSA-N 2 2 367.457 0.856 20 0 FCADLP C[C@@]12C[NH2+]C[C@@H]1CN(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC001579474074 1277379789 /nfs/dbraw/zinc/37/97/89/1277379789.db2.gz ORAKRCNMWJTXJM-HYVNUMGLSA-N 2 2 354.520 0.445 20 0 FCADLP Cc1cc(C[NH3+])oc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001579597985 1277629168 /nfs/dbraw/zinc/62/91/68/1277629168.db2.gz VDNZRFHMCURNPJ-UHFFFAOYSA-N 2 2 358.446 0.779 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)c1C ZINC001579641235 1277705994 /nfs/dbraw/zinc/70/59/94/1277705994.db2.gz OAWURNIINZJUDX-UHFFFAOYSA-N 2 2 354.476 0.104 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713765891 1287296347 /nfs/dbraw/zinc/29/63/47/1287296347.db2.gz FUNRQCJVQJEBCX-OAGGEKHMSA-N 2 2 361.490 0.958 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001713765891 1287296350 /nfs/dbraw/zinc/29/63/50/1287296350.db2.gz FUNRQCJVQJEBCX-OAGGEKHMSA-N 2 2 361.490 0.958 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001579963494 1277980734 /nfs/dbraw/zinc/98/07/34/1277980734.db2.gz OWXWLTNQPONOPP-GFCCVEGCSA-N 2 2 370.417 0.366 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001580270351 1278063430 /nfs/dbraw/zinc/06/34/30/1278063430.db2.gz AWXGWMVZDUIYMN-JTQLQIEISA-N 2 2 358.381 0.566 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)[NH+]=c1cc(C)[nH]cc1-c1nn[nH]n1 ZINC001580987791 1279185149 /nfs/dbraw/zinc/18/51/49/1279185149.db2.gz DTBXROOJLWBBJO-CHWSQXEVSA-N 2 2 369.433 0.502 20 0 FCADLP Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580988743 1279188135 /nfs/dbraw/zinc/18/81/35/1279188135.db2.gz UHGZEKBVZYGZQW-QWHCGFSZSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580994543 1279201922 /nfs/dbraw/zinc/20/19/22/1279201922.db2.gz OKGFLFSFGOJIFB-GFCCVEGCSA-N 2 2 369.433 0.456 20 0 FCADLP Cc1cc(NC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006136 1279224103 /nfs/dbraw/zinc/22/41/03/1279224103.db2.gz LKRJLULATKXLTF-UHFFFAOYSA-N 2 2 367.417 0.361 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581011070 1279237726 /nfs/dbraw/zinc/23/77/26/1279237726.db2.gz BRVVQXWPYPNJCS-NSHDSACASA-N 2 2 369.433 0.525 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581025827 1279257940 /nfs/dbraw/zinc/25/79/40/1279257940.db2.gz ZROMNRTTYHKIMY-ONEGZZNKSA-N 2 2 367.417 0.351 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581028393 1279265099 /nfs/dbraw/zinc/26/50/99/1279265099.db2.gz UMXYATYUXQYLEC-UHFFFAOYSA-N 2 2 355.406 0.137 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001581338523 1279718776 /nfs/dbraw/zinc/71/87/76/1279718776.db2.gz OEHMAHVCILHGKA-UHFFFAOYSA-N 2 2 354.418 0.620 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001581338523 1279718782 /nfs/dbraw/zinc/71/87/82/1279718782.db2.gz OEHMAHVCILHGKA-UHFFFAOYSA-N 2 2 354.418 0.620 20 0 FCADLP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001603457268 1287377280 /nfs/dbraw/zinc/37/72/80/1287377280.db2.gz HWQJIMWOXMRTTE-QWHCGFSZSA-N 2 2 369.433 0.666 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001716884336 1287392398 /nfs/dbraw/zinc/39/23/98/1287392398.db2.gz UNQDCMKTUJRLQY-RBSFLKMASA-N 2 2 363.510 0.830 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001716884336 1287392399 /nfs/dbraw/zinc/39/23/99/1287392399.db2.gz UNQDCMKTUJRLQY-RBSFLKMASA-N 2 2 363.510 0.830 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001716888146 1287393317 /nfs/dbraw/zinc/39/33/17/1287393317.db2.gz NUAZLOMTLUKVQL-ARFHVFGLSA-N 2 2 364.490 0.749 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581563492 1280139668 /nfs/dbraw/zinc/13/96/68/1280139668.db2.gz NYUIAKMGDDKWNX-GFCCVEGCSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581563492 1280139672 /nfs/dbraw/zinc/13/96/72/1280139672.db2.gz NYUIAKMGDDKWNX-GFCCVEGCSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581564150 1280143671 /nfs/dbraw/zinc/14/36/71/1280143671.db2.gz WMYQVCQMGVXOAR-UHFFFAOYSA-N 2 2 367.417 0.552 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581814919 1280561146 /nfs/dbraw/zinc/56/11/46/1280561146.db2.gz LFVHBPODAICNDY-AWEZNQCLSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581814919 1280561154 /nfs/dbraw/zinc/56/11/54/1280561154.db2.gz LFVHBPODAICNDY-AWEZNQCLSA-N 2 2 366.429 0.533 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582090312 1281048184 /nfs/dbraw/zinc/04/81/84/1281048184.db2.gz OUAFLRAGMSBADH-TXEJJXNPSA-N 2 2 372.458 0.952 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001582099341 1281056025 /nfs/dbraw/zinc/05/60/25/1281056025.db2.gz PIHDXJLUWBKVEN-UHFFFAOYSA-N 2 2 373.436 0.840 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582100841 1281057558 /nfs/dbraw/zinc/05/75/58/1281057558.db2.gz QXWYFDJCKSEXHV-UHFFFAOYSA-N 2 2 373.436 0.650 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001582169050 1281134347 /nfs/dbraw/zinc/13/43/47/1281134347.db2.gz AZRDHWPJWMPRTN-LBPRGKRZSA-N 2 2 372.458 0.975 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582169292 1281136115 /nfs/dbraw/zinc/13/61/15/1281136115.db2.gz LSQZJIHILNSLIE-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582169508 1281137347 /nfs/dbraw/zinc/13/73/47/1281137347.db2.gz VSGRIHGHWCIGPC-OAHLLOKOSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171346 1281139821 /nfs/dbraw/zinc/13/98/21/1281139821.db2.gz HMFUOMXWACSWGH-XBXGTLAGSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001582173530 1281143037 /nfs/dbraw/zinc/14/30/37/1281143037.db2.gz YBTQNCYVUURCAW-QLPKVWCKSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001582173530 1281143043 /nfs/dbraw/zinc/14/30/43/1281143043.db2.gz YBTQNCYVUURCAW-QLPKVWCKSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582183379 1281161158 /nfs/dbraw/zinc/16/11/58/1281161158.db2.gz RZXYZJJAYLIROE-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582183036 1281161270 /nfs/dbraw/zinc/16/12/70/1281161270.db2.gz SXQXZUNJHYZTPQ-AWEZNQCLSA-N 2 2 352.402 0.523 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582194998 1281175735 /nfs/dbraw/zinc/17/57/35/1281175735.db2.gz FXDOBEOYQDIDRY-ZDUSSCGKSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001582195366 1281177466 /nfs/dbraw/zinc/17/74/66/1281177466.db2.gz WXGROGUELWEYNW-LBPRGKRZSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582196824 1281178998 /nfs/dbraw/zinc/17/89/98/1281178998.db2.gz VVXZLQINVCEDOS-INIZCTEOSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582197293 1281180732 /nfs/dbraw/zinc/18/07/32/1281180732.db2.gz KTHHOOIQMVUDEL-CYBMUJFWSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197202 1281181208 /nfs/dbraw/zinc/18/12/08/1281181208.db2.gz IEKLNZYIGNWKAO-UHFFFAOYSA-N 2 2 372.458 0.809 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582197757 1281182235 /nfs/dbraw/zinc/18/22/35/1281182235.db2.gz XNDTZWWORSRTKV-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC001582197757 1281182238 /nfs/dbraw/zinc/18/22/38/1281182238.db2.gz XNDTZWWORSRTKV-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cc3c[nH]c[nH+]3)c2)C1 ZINC001585676838 1282239141 /nfs/dbraw/zinc/23/91/41/1282239141.db2.gz RJUGLUVZQCYRPQ-INIZCTEOSA-N 2 2 355.442 0.966 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cc3c[nH]c[nH+]3)c2)C1 ZINC001585676838 1282239148 /nfs/dbraw/zinc/23/91/48/1282239148.db2.gz RJUGLUVZQCYRPQ-INIZCTEOSA-N 2 2 355.442 0.966 20 0 FCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001633893592 1282282230 /nfs/dbraw/zinc/28/22/30/1282282230.db2.gz DNXPFWOVZKDPDS-UHFFFAOYSA-N 2 2 355.402 0.461 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589674991 1282936772 /nfs/dbraw/zinc/93/67/72/1282936772.db2.gz QWWXESOQPONGGA-UHFFFAOYSA-N 2 2 370.461 0.855 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589674991 1282936784 /nfs/dbraw/zinc/93/67/84/1282936784.db2.gz QWWXESOQPONGGA-UHFFFAOYSA-N 2 2 370.461 0.855 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590172957 1283271357 /nfs/dbraw/zinc/27/13/57/1283271357.db2.gz AFUDPIUMFKILRB-MLGOLLRUSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001590175077 1283279435 /nfs/dbraw/zinc/27/94/35/1283279435.db2.gz JEMGCRTWHUIBOS-TZMCWYRMSA-N 2 2 367.417 0.372 20 0 FCADLP C/C=C(\C)C(=O)NCC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001590350390 1283492979 /nfs/dbraw/zinc/49/29/79/1283492979.db2.gz QGAJGLAHHABYER-YIXHJXPBSA-N 2 2 370.461 0.775 20 0 FCADLP CCN(CCCNC(=O)Cn1c[nH+]cc1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590698177 1283740047 /nfs/dbraw/zinc/74/00/47/1283740047.db2.gz GIRWZMOGGBTBTO-UHFFFAOYSA-N 2 2 369.433 0.799 20 0 FCADLP C[NH+](C)CCNC(=S)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591020582 1284075913 /nfs/dbraw/zinc/07/59/13/1284075913.db2.gz QOKNEOQTCNXGEP-UHFFFAOYSA-N 2 2 374.518 0.420 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001591022679 1284081031 /nfs/dbraw/zinc/08/10/31/1284081031.db2.gz OFPOUXHBQTWYMF-UHFFFAOYSA-N 2 2 372.458 0.649 20 0 FCADLP C[N@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1(C[NH3+])CCOCC1 ZINC001591048633 1284107414 /nfs/dbraw/zinc/10/74/14/1284107414.db2.gz MEGWTKGKEOVZJM-AWEZNQCLSA-N 2 2 362.434 0.046 20 0 FCADLP C[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1(C[NH3+])CCOCC1 ZINC001591048633 1284107421 /nfs/dbraw/zinc/10/74/21/1284107421.db2.gz MEGWTKGKEOVZJM-AWEZNQCLSA-N 2 2 362.434 0.046 20 0 FCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001591072264 1284133293 /nfs/dbraw/zinc/13/32/93/1284133293.db2.gz JRGCMBXHBXXFTA-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1-c1nn[nH]n1 ZINC001591072264 1284133301 /nfs/dbraw/zinc/13/33/01/1284133301.db2.gz JRGCMBXHBXXFTA-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001591084500 1284154629 /nfs/dbraw/zinc/15/46/29/1284154629.db2.gz VPJKRAPEVCNIEZ-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Cc1c[nH+]cn1C ZINC001591102727 1284173136 /nfs/dbraw/zinc/17/31/36/1284173136.db2.gz XIHVXGCNLLPSAT-UHFFFAOYSA-N 2 2 360.447 0.452 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001591180855 1284280000 /nfs/dbraw/zinc/28/00/00/1284280000.db2.gz OHJPHFYPEPPCNZ-UHFFFAOYSA-N 2 2 370.461 0.550 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001591189714 1284305097 /nfs/dbraw/zinc/30/50/97/1284305097.db2.gz MTNMGECZHRRLGL-QGZVFWFLSA-N 2 2 369.473 0.998 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001591562541 1284735695 /nfs/dbraw/zinc/73/56/95/1284735695.db2.gz ZLHIVCMULGXGDL-UHFFFAOYSA-N 2 2 370.417 0.057 20 0 FCADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC001591659617 1284787945 /nfs/dbraw/zinc/78/79/45/1284787945.db2.gz ZDDZEMCTYKBTFT-UHFFFAOYSA-N 2 2 352.402 0.988 20 0 FCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-c1nn[nH]n1 ZINC001591723075 1284857175 /nfs/dbraw/zinc/85/71/75/1284857175.db2.gz JXXXXUOHPJRZDU-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-c1nn[nH]n1 ZINC001591723075 1284857182 /nfs/dbraw/zinc/85/71/82/1284857182.db2.gz JXXXXUOHPJRZDU-NSHDSACASA-N 2 2 351.480 0.930 20 0 FCADLP Cc1cc(NCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592046511 1285088099 /nfs/dbraw/zinc/08/80/99/1285088099.db2.gz UBQJGKRMJLSYNK-LLVKDONJSA-N 2 2 369.433 0.655 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001592860297 1285763781 /nfs/dbraw/zinc/76/37/81/1285763781.db2.gz XDXGZLWTYHRJFC-UHFFFAOYSA-N 2 2 358.381 0.498 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001702666882 1285778005 /nfs/dbraw/zinc/77/80/05/1285778005.db2.gz KEBNTFKFQYJRCN-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001702666882 1285778010 /nfs/dbraw/zinc/77/80/10/1285778010.db2.gz KEBNTFKFQYJRCN-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507280 1286186665 /nfs/dbraw/zinc/18/66/65/1286186665.db2.gz ZHXBGYTWCWXWRE-OIISXLGYSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507280 1286186670 /nfs/dbraw/zinc/18/66/70/1286186670.db2.gz ZHXBGYTWCWXWRE-OIISXLGYSA-N 2 2 358.446 0.823 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001707227610 1287076166 /nfs/dbraw/zinc/07/61/66/1287076166.db2.gz JZWAQHDNTZHHPL-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001707227610 1287076172 /nfs/dbraw/zinc/07/61/72/1287076172.db2.gz JZWAQHDNTZHHPL-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861638 1287803060 /nfs/dbraw/zinc/80/30/60/1287803060.db2.gz FLIZUIFAHPNMAZ-QGZVFWFLSA-N 2 2 353.434 0.827 20 0 FCADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861638 1287803065 /nfs/dbraw/zinc/80/30/65/1287803065.db2.gz FLIZUIFAHPNMAZ-QGZVFWFLSA-N 2 2 353.434 0.827 20 0 FCADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861638 1287803069 /nfs/dbraw/zinc/80/30/69/1287803069.db2.gz FLIZUIFAHPNMAZ-QGZVFWFLSA-N 2 2 353.434 0.827 20 0 FCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc4c(-c5nn[nH]n5)cnn4c3)C2)C1 ZINC001604861638 1287803074 /nfs/dbraw/zinc/80/30/74/1287803074.db2.gz FLIZUIFAHPNMAZ-QGZVFWFLSA-N 2 2 353.434 0.827 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001719232969 1287913020 /nfs/dbraw/zinc/91/30/20/1287913020.db2.gz JYWFFYQZSYTBNW-DTZQCDIJSA-N 2 2 363.462 0.025 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001719232969 1287913025 /nfs/dbraw/zinc/91/30/25/1287913025.db2.gz JYWFFYQZSYTBNW-DTZQCDIJSA-N 2 2 363.462 0.025 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001719232969 1287913032 /nfs/dbraw/zinc/91/30/32/1287913032.db2.gz JYWFFYQZSYTBNW-DTZQCDIJSA-N 2 2 363.462 0.025 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001719232969 1287913035 /nfs/dbraw/zinc/91/30/35/1287913035.db2.gz JYWFFYQZSYTBNW-DTZQCDIJSA-N 2 2 363.462 0.025 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001605697902 1288052674 /nfs/dbraw/zinc/05/26/74/1288052674.db2.gz XUKMCFSQCKRKQZ-UHFFFAOYSA-N 2 2 367.417 0.424 20 0 FCADLP C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001606241887 1288230416 /nfs/dbraw/zinc/23/04/16/1288230416.db2.gz VWVATGMIVYZHPA-UHFFFAOYSA-N 2 2 352.504 0.528 20 0 FCADLP C[NH+]1CCN(CC[N@@H+](CC(=O)[O-])Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001606241887 1288230419 /nfs/dbraw/zinc/23/04/19/1288230419.db2.gz VWVATGMIVYZHPA-UHFFFAOYSA-N 2 2 352.504 0.528 20 0 FCADLP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)Cc1c[nH+]cn1C ZINC001721620351 1288360688 /nfs/dbraw/zinc/36/06/88/1288360688.db2.gz HJURDSNSXSRARG-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)Cc1c[nH+]cn1C ZINC001721620351 1288360696 /nfs/dbraw/zinc/36/06/96/1288360696.db2.gz HJURDSNSXSRARG-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCc2cccs2)CC[N@@H+]1C ZINC001731770994 1288563388 /nfs/dbraw/zinc/56/33/88/1288563388.db2.gz FZFRVEFVWCYHSZ-UKRRQHHQSA-N 2 2 352.504 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NCc2cccs2)CC[N@H+]1C ZINC001731770994 1288563391 /nfs/dbraw/zinc/56/33/91/1288563391.db2.gz FZFRVEFVWCYHSZ-UKRRQHHQSA-N 2 2 352.504 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)NCc2cccs2)CC[NH+]1C ZINC001731770994 1288563395 /nfs/dbraw/zinc/56/33/95/1288563395.db2.gz FZFRVEFVWCYHSZ-UKRRQHHQSA-N 2 2 352.504 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCc2cccs2)CC[NH+]1C ZINC001731770994 1288563396 /nfs/dbraw/zinc/56/33/96/1288563396.db2.gz FZFRVEFVWCYHSZ-UKRRQHHQSA-N 2 2 352.504 0.753 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001607094501 1288659898 /nfs/dbraw/zinc/65/98/98/1288659898.db2.gz LHDNVOFQFARFLA-QWHCGFSZSA-N 2 2 355.402 0.477 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3nn[nH]n3)cs2)C1 ZINC001609099814 1288917977 /nfs/dbraw/zinc/91/79/77/1288917977.db2.gz AGQPNTDWDFOFCO-SNVBAGLBSA-N 2 2 352.424 0.431 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3nn[nH]n3)cs2)C1 ZINC001609099814 1288917988 /nfs/dbraw/zinc/91/79/88/1288917988.db2.gz AGQPNTDWDFOFCO-SNVBAGLBSA-N 2 2 352.424 0.431 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3nn[nH]n3)cs2)C1 ZINC001609099813 1288918772 /nfs/dbraw/zinc/91/87/72/1288918772.db2.gz AGQPNTDWDFOFCO-JTQLQIEISA-N 2 2 352.424 0.431 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3nn[nH]n3)cs2)C1 ZINC001609099813 1288918773 /nfs/dbraw/zinc/91/87/73/1288918773.db2.gz AGQPNTDWDFOFCO-JTQLQIEISA-N 2 2 352.424 0.431 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cncc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001609227232 1288998625 /nfs/dbraw/zinc/99/86/25/1288998625.db2.gz JHJQTAVJKDGXKO-UHFFFAOYSA-N 2 2 357.466 0.653 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3cncc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001609227232 1288998629 /nfs/dbraw/zinc/99/86/29/1288998629.db2.gz JHJQTAVJKDGXKO-UHFFFAOYSA-N 2 2 357.466 0.653 20 0 FCADLP CC[NH+]1CCN(CCCC[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001609228417 1289001851 /nfs/dbraw/zinc/00/18/51/1289001851.db2.gz RPVMFNJMBBBBAR-UHFFFAOYSA-N 2 2 350.496 0.831 20 0 FCADLP CCN1CC[NH+](CCCC[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001609228417 1289001857 /nfs/dbraw/zinc/00/18/57/1289001857.db2.gz RPVMFNJMBBBBAR-UHFFFAOYSA-N 2 2 350.496 0.831 20 0 FCADLP C[N@H+](CCN1CCNC1=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691965007 1289352037 /nfs/dbraw/zinc/35/20/37/1289352037.db2.gz HPGWTMCVGGCXQH-RRFJBIMHSA-N 2 2 360.462 0.319 20 0 FCADLP C[N@@H+](CCN1CCNC1=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691965007 1289352047 /nfs/dbraw/zinc/35/20/47/1289352047.db2.gz HPGWTMCVGGCXQH-RRFJBIMHSA-N 2 2 360.462 0.319 20 0 FCADLP C[N@H+](CCN1CCNC1=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001691965007 1289352055 /nfs/dbraw/zinc/35/20/55/1289352055.db2.gz HPGWTMCVGGCXQH-RRFJBIMHSA-N 2 2 360.462 0.319 20 0 FCADLP C[N@@H+](CCN1CCNC1=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001691965007 1289352066 /nfs/dbraw/zinc/35/20/66/1289352066.db2.gz HPGWTMCVGGCXQH-RRFJBIMHSA-N 2 2 360.462 0.319 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001692188198 1289423290 /nfs/dbraw/zinc/42/32/90/1289423290.db2.gz ALRJIYNOBSXSLI-GUTXKFCHSA-N 2 2 352.483 0.164 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001692188198 1289423294 /nfs/dbraw/zinc/42/32/94/1289423294.db2.gz ALRJIYNOBSXSLI-GUTXKFCHSA-N 2 2 352.483 0.164 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCS(C)(=O)=O ZINC001692368100 1289454219 /nfs/dbraw/zinc/45/42/19/1289454219.db2.gz HMPRIARCQIGWMX-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1CCCS(C)(=O)=O ZINC001692368100 1289454224 /nfs/dbraw/zinc/45/42/24/1289454224.db2.gz HMPRIARCQIGWMX-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001692368100 1289454228 /nfs/dbraw/zinc/45/42/28/1289454228.db2.gz HMPRIARCQIGWMX-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001692368100 1289454231 /nfs/dbraw/zinc/45/42/31/1289454231.db2.gz HMPRIARCQIGWMX-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001698845996 1289537547 /nfs/dbraw/zinc/53/75/47/1289537547.db2.gz SUFHFOTYCMCIQB-NWANDNLSSA-N 2 2 358.446 0.959 20 0 FCADLP CN(CC[N@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698998528 1289543109 /nfs/dbraw/zinc/54/31/09/1289543109.db2.gz BWPGIDQPYZQGQT-ARFHVFGLSA-N 2 2 360.462 0.171 20 0 FCADLP CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001698998528 1289543113 /nfs/dbraw/zinc/54/31/13/1289543113.db2.gz BWPGIDQPYZQGQT-ARFHVFGLSA-N 2 2 360.462 0.171 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccnc(Cl)c1 ZINC001699067563 1289545393 /nfs/dbraw/zinc/54/53/93/1289545393.db2.gz WIDFPAFGOALYOX-BFHYXJOUSA-N 2 2 363.849 0.839 20 0 FCADLP O=C(NCC1([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699653503 1289559332 /nfs/dbraw/zinc/55/93/32/1289559332.db2.gz JXYQLOUGJIVKLV-YNEHKIRRSA-N 2 2 352.460 0.186 20 0 FCADLP O=C(NCC1([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699653503 1289559337 /nfs/dbraw/zinc/55/93/37/1289559337.db2.gz JXYQLOUGJIVKLV-YNEHKIRRSA-N 2 2 352.460 0.186 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC001737736125 1289578957 /nfs/dbraw/zinc/57/89/57/1289578957.db2.gz VYJBJAHYYJVNNI-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC001737736125 1289578964 /nfs/dbraw/zinc/57/89/64/1289578964.db2.gz VYJBJAHYYJVNNI-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@H+](C)CCC(=O)N(C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001739143610 1289816062 /nfs/dbraw/zinc/81/60/62/1289816062.db2.gz NXZHETBLWHMRLU-QDIHITRGSA-N 2 2 361.490 0.971 20 0 FCADLP CC[N@@H+](C)CCC(=O)N(C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001739143610 1289816075 /nfs/dbraw/zinc/81/60/75/1289816075.db2.gz NXZHETBLWHMRLU-QDIHITRGSA-N 2 2 361.490 0.971 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001619934969 1289968772 /nfs/dbraw/zinc/96/87/72/1289968772.db2.gz RTPWREXNNQQJJD-INIZCTEOSA-N 2 2 366.510 0.323 20 0 FCADLP C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001621967726 1290075608 /nfs/dbraw/zinc/07/56/08/1290075608.db2.gz PBYHQRVWNVDMMP-WMZOPIPTSA-N 2 2 366.531 0.979 20 0 FCADLP C[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001621967726 1290075620 /nfs/dbraw/zinc/07/56/20/1290075620.db2.gz PBYHQRVWNVDMMP-WMZOPIPTSA-N 2 2 366.531 0.979 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]CCN1CCCC1=O)C1CC1 ZINC001754452211 1290629524 /nfs/dbraw/zinc/62/95/24/1290629524.db2.gz YTBBAUWBJKJOEI-BZUAXINKSA-N 2 2 359.474 0.630 20 0 FCADLP O=C(NC[C@]1(O)CC[N@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001754754205 1290631753 /nfs/dbraw/zinc/63/17/53/1290631753.db2.gz MGWLOVREHCRMEW-GPMSIDNRSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@]1(O)CC[N@@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001754754205 1290631763 /nfs/dbraw/zinc/63/17/63/1290631763.db2.gz MGWLOVREHCRMEW-GPMSIDNRSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@]1(O)CC[N@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001754754205 1290631773 /nfs/dbraw/zinc/63/17/73/1290631773.db2.gz MGWLOVREHCRMEW-GPMSIDNRSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@]1(O)CC[N@@H+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001754754205 1290631781 /nfs/dbraw/zinc/63/17/81/1290631781.db2.gz MGWLOVREHCRMEW-GPMSIDNRSA-N 2 2 362.474 0.883 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nc(C3CCC3)no2)CC[N@@H+]1C ZINC001754882533 1290634161 /nfs/dbraw/zinc/63/41/61/1290634161.db2.gz HVLMOHFFQZJRHC-UKRRQHHQSA-N 2 2 365.478 0.588 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nc(C3CCC3)no2)CC[N@H+]1C ZINC001754882533 1290634172 /nfs/dbraw/zinc/63/41/72/1290634172.db2.gz HVLMOHFFQZJRHC-UKRRQHHQSA-N 2 2 365.478 0.588 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001755300169 1290642331 /nfs/dbraw/zinc/64/23/31/1290642331.db2.gz LERFGEJHAFHOEL-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(=O)Nc2cnccn2)CC[N@H+]1C ZINC001755300169 1290642342 /nfs/dbraw/zinc/64/23/42/1290642342.db2.gz LERFGEJHAFHOEL-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc2cnccn2)CC[NH+]1C ZINC001755300169 1290642353 /nfs/dbraw/zinc/64/23/53/1290642353.db2.gz LERFGEJHAFHOEL-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc2cnccn2)CC[NH+]1C ZINC001755300169 1290642364 /nfs/dbraw/zinc/64/23/64/1290642364.db2.gz LERFGEJHAFHOEL-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CC)CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001630846235 1290704646 /nfs/dbraw/zinc/70/46/46/1290704646.db2.gz MQTWXXYCYYJFFG-CQSZACIVSA-N 2 2 356.492 0.320 20 0 FCADLP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001758869370 1290844203 /nfs/dbraw/zinc/84/42/03/1290844203.db2.gz GHVDAILNZMYECR-FVQBIDKESA-N 2 2 361.490 0.876 20 0 FCADLP O=C(CC[NH2+][C@@H](CO)[C@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001653888504 1291375940 /nfs/dbraw/zinc/37/59/40/1291375940.db2.gz SJHMULKECQLRJG-IRXDYDNUSA-N 2 2 362.474 0.497 20 0 FCADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC001663924824 1291773512 /nfs/dbraw/zinc/77/35/12/1291773512.db2.gz SGQYSSGLUSUWKD-UHFFFAOYSA-N 2 2 370.475 0.027 20 0 FCADLP CC[C@H](C(=O)NCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1)[NH+](C)C ZINC001688492782 1294499872 /nfs/dbraw/zinc/49/98/72/1294499872.db2.gz ZKXYJPZCGJEGAX-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCN(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001688555464 1294509969 /nfs/dbraw/zinc/50/99/69/1294509969.db2.gz KDQKAWIFYWGOKO-IAGOWNOFSA-N 2 2 352.523 0.977 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCN(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001688555464 1294509975 /nfs/dbraw/zinc/50/99/75/1294509975.db2.gz KDQKAWIFYWGOKO-IAGOWNOFSA-N 2 2 352.523 0.977 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001688695668 1294520500 /nfs/dbraw/zinc/52/05/00/1294520500.db2.gz DCWUBNCBHBRHKY-LSDHHAIUSA-N 2 2 350.463 0.010 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCN3C(=O)CCC3=O)CC2)CC[N@H+]1C ZINC001688695668 1294520507 /nfs/dbraw/zinc/52/05/07/1294520507.db2.gz DCWUBNCBHBRHKY-LSDHHAIUSA-N 2 2 350.463 0.010 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)no1 ZINC001689010155 1294566850 /nfs/dbraw/zinc/56/68/50/1294566850.db2.gz LBWLPGRQGFHLNI-QWHCGFSZSA-N 2 2 360.418 0.762 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001689189293 1294657566 /nfs/dbraw/zinc/65/75/66/1294657566.db2.gz KTJGASYOQNDCPZ-JKSUJKDBSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(=O)NC(C)(C)C ZINC001689189293 1294657571 /nfs/dbraw/zinc/65/75/71/1294657571.db2.gz KTJGASYOQNDCPZ-JKSUJKDBSA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001689231821 1294690283 /nfs/dbraw/zinc/69/02/83/1294690283.db2.gz MGMUNWCGGIYVGA-SOLBZPMBSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001689231821 1294690292 /nfs/dbraw/zinc/69/02/92/1294690292.db2.gz MGMUNWCGGIYVGA-SOLBZPMBSA-N 2 2 364.490 0.766 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccco2)C1 ZINC001690289855 1294865584 /nfs/dbraw/zinc/86/55/84/1294865584.db2.gz NMHQGAGFFIFTIO-RRCSTGOVSA-N 2 2 371.441 0.670 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001690416465 1294868035 /nfs/dbraw/zinc/86/80/35/1294868035.db2.gz NSTWCIHTOZMQJO-ZACQAIPSSA-N 2 2 357.470 0.664 20 0 FCADLP CC(C)[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001690657611 1294879170 /nfs/dbraw/zinc/87/91/70/1294879170.db2.gz RIJDTIVWIHCEKY-ARFHVFGLSA-N 2 2 361.490 0.876 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164683331 719702029 /nfs/dbraw/zinc/70/20/29/719702029.db2.gz JPFCUNQGRJREIB-UHFFFAOYSA-N 2 2 374.489 0.494 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCOCC3)[nH+]cn1)CC2 ZINC001164683331 719702039 /nfs/dbraw/zinc/70/20/39/719702039.db2.gz JPFCUNQGRJREIB-UHFFFAOYSA-N 2 2 374.489 0.494 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164717297 720223883 /nfs/dbraw/zinc/22/38/83/720223883.db2.gz IEYHHUIGQSJSEG-LJQANCHMSA-N 2 2 372.473 0.633 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C)C2)C1 ZINC001164717297 720223886 /nfs/dbraw/zinc/22/38/86/720223886.db2.gz IEYHHUIGQSJSEG-LJQANCHMSA-N 2 2 372.473 0.633 20 0 FCADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(N)c1 ZINC001164872896 721281205 /nfs/dbraw/zinc/28/12/05/721281205.db2.gz HOTWGPGBHIVBEO-UHFFFAOYSA-N 2 2 361.490 0.979 20 0 FCADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(N)c1 ZINC001164872896 721281214 /nfs/dbraw/zinc/28/12/14/721281214.db2.gz HOTWGPGBHIVBEO-UHFFFAOYSA-N 2 2 361.490 0.979 20 0 FCADLP COCCN1C[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C1=O ZINC001164904012 721574571 /nfs/dbraw/zinc/57/45/71/721574571.db2.gz SWVUBRORQBWKIJ-HZPDHXFCSA-N 2 2 359.474 0.374 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001165009772 721699273 /nfs/dbraw/zinc/69/92/73/721699273.db2.gz DFSPBGAVUZRBAO-UHFFFAOYSA-N 2 2 356.478 0.964 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001165009772 721699277 /nfs/dbraw/zinc/69/92/77/721699277.db2.gz DFSPBGAVUZRBAO-UHFFFAOYSA-N 2 2 356.478 0.964 20 0 FCADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929166 721884977 /nfs/dbraw/zinc/88/49/77/721884977.db2.gz AGYPVSHZQWLBHX-SJORKVTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929166 721884978 /nfs/dbraw/zinc/88/49/78/721884978.db2.gz AGYPVSHZQWLBHX-SJORKVTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929166 721884979 /nfs/dbraw/zinc/88/49/79/721884979.db2.gz AGYPVSHZQWLBHX-SJORKVTESA-N 2 2 359.522 0.443 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102402 837617644 /nfs/dbraw/zinc/61/76/44/837617644.db2.gz IFJBCGKZDZRTIW-PMPSAXMXSA-N 2 2 352.458 0.854 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102402 837617645 /nfs/dbraw/zinc/61/76/45/837617645.db2.gz IFJBCGKZDZRTIW-PMPSAXMXSA-N 2 2 352.458 0.854 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102402 837617646 /nfs/dbraw/zinc/61/76/46/837617646.db2.gz IFJBCGKZDZRTIW-PMPSAXMXSA-N 2 2 352.458 0.854 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102402 837617649 /nfs/dbraw/zinc/61/76/49/837617649.db2.gz IFJBCGKZDZRTIW-PMPSAXMXSA-N 2 2 352.458 0.854 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070327894 837646980 /nfs/dbraw/zinc/64/69/80/837646980.db2.gz HJKPHOXKLFRNTJ-CABCVRRESA-N 2 2 361.475 0.372 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001071052446 837718789 /nfs/dbraw/zinc/71/87/89/837718789.db2.gz XJDOIGSMKQVSGW-SIIHOXLZSA-N 2 2 350.463 0.709 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749198963 836347090 /nfs/dbraw/zinc/34/70/90/836347090.db2.gz UVVLUYBTFKMYHJ-HNNXBMFYSA-N 2 2 374.551 0.479 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749198963 836347097 /nfs/dbraw/zinc/34/70/97/836347097.db2.gz UVVLUYBTFKMYHJ-HNNXBMFYSA-N 2 2 374.551 0.479 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101351138 844154294 /nfs/dbraw/zinc/15/42/94/844154294.db2.gz USYYVJIKPDWGMW-DYVFJYSZSA-N 2 2 351.451 0.448 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101351138 844154300 /nfs/dbraw/zinc/15/43/00/844154300.db2.gz USYYVJIKPDWGMW-DYVFJYSZSA-N 2 2 351.451 0.448 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429900 844184257 /nfs/dbraw/zinc/18/42/57/844184257.db2.gz FCJPTPXZURHTIC-GLJUWKHASA-N 2 2 350.463 0.475 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429900 844184260 /nfs/dbraw/zinc/18/42/60/844184260.db2.gz FCJPTPXZURHTIC-GLJUWKHASA-N 2 2 350.463 0.475 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccns4)C[C@H]32)O1 ZINC001075940392 837930660 /nfs/dbraw/zinc/93/06/60/837930660.db2.gz MOGUEYHVTACUJO-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccns4)C[C@H]32)O1 ZINC001075940392 837930662 /nfs/dbraw/zinc/93/06/62/837930662.db2.gz MOGUEYHVTACUJO-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccns4)C[C@H]32)O1 ZINC001075940392 837930664 /nfs/dbraw/zinc/93/06/64/837930664.db2.gz MOGUEYHVTACUJO-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccns4)C[C@H]32)O1 ZINC001075940392 837930665 /nfs/dbraw/zinc/93/06/65/837930665.db2.gz MOGUEYHVTACUJO-OCVGTWLNSA-N 2 2 350.488 0.895 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076571560 838019162 /nfs/dbraw/zinc/01/91/62/838019162.db2.gz OGUAZJSETRFIJI-OWCLPIDISA-N 2 2 366.487 0.159 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076571560 838019171 /nfs/dbraw/zinc/01/91/71/838019171.db2.gz OGUAZJSETRFIJI-OWCLPIDISA-N 2 2 366.487 0.159 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805999 838113933 /nfs/dbraw/zinc/11/39/33/838113933.db2.gz ZIGSPODPOZPLKW-KZNAEPCWSA-N 2 2 353.507 0.981 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805999 838113940 /nfs/dbraw/zinc/11/39/40/838113940.db2.gz ZIGSPODPOZPLKW-KZNAEPCWSA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805999 838113944 /nfs/dbraw/zinc/11/39/44/838113944.db2.gz ZIGSPODPOZPLKW-KZNAEPCWSA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001076805999 838113951 /nfs/dbraw/zinc/11/39/51/838113951.db2.gz ZIGSPODPOZPLKW-KZNAEPCWSA-N 2 2 353.507 0.981 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127738 838751137 /nfs/dbraw/zinc/75/11/37/838751137.db2.gz HENHCESBYTWZDX-NUEKZKHPSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127738 838751144 /nfs/dbraw/zinc/75/11/44/838751144.db2.gz HENHCESBYTWZDX-NUEKZKHPSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127738 838751150 /nfs/dbraw/zinc/75/11/50/838751150.db2.gz HENHCESBYTWZDX-NUEKZKHPSA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127738 838751156 /nfs/dbraw/zinc/75/11/56/838751156.db2.gz HENHCESBYTWZDX-NUEKZKHPSA-N 2 2 352.504 0.782 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077130502 838755847 /nfs/dbraw/zinc/75/58/47/838755847.db2.gz BCYSCFKUEJPEDE-QLFBSQMISA-N 2 2 361.471 0.621 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077130502 838755854 /nfs/dbraw/zinc/75/58/54/838755854.db2.gz BCYSCFKUEJPEDE-QLFBSQMISA-N 2 2 361.471 0.621 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)no1 ZINC001077275134 838867029 /nfs/dbraw/zinc/86/70/29/838867029.db2.gz SPFPEECTNWDPIG-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)no1 ZINC001077275134 838867044 /nfs/dbraw/zinc/86/70/44/838867044.db2.gz SPFPEECTNWDPIG-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3conc3C)C[C@H]2O)C1 ZINC001077553116 839028176 /nfs/dbraw/zinc/02/81/76/839028176.db2.gz BRCRJRNNSCHBRW-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3conc3C)C[C@H]2O)C1 ZINC001077553116 839028188 /nfs/dbraw/zinc/02/81/88/839028188.db2.gz BRCRJRNNSCHBRW-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2O)C1 ZINC001077553116 839028202 /nfs/dbraw/zinc/02/82/02/839028202.db2.gz BRCRJRNNSCHBRW-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2O)C1 ZINC001077553116 839028212 /nfs/dbraw/zinc/02/82/12/839028212.db2.gz BRCRJRNNSCHBRW-DJIMGWMZSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554086 839030742 /nfs/dbraw/zinc/03/07/42/839030742.db2.gz XRMHCPBUVUQBHQ-BZUAXINKSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554086 839030755 /nfs/dbraw/zinc/03/07/55/839030755.db2.gz XRMHCPBUVUQBHQ-BZUAXINKSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554086 839030770 /nfs/dbraw/zinc/03/07/70/839030770.db2.gz XRMHCPBUVUQBHQ-BZUAXINKSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2O)C1 ZINC001077554086 839030777 /nfs/dbraw/zinc/03/07/77/839030777.db2.gz XRMHCPBUVUQBHQ-BZUAXINKSA-N 2 2 350.463 0.766 20 0 FCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685240 839112307 /nfs/dbraw/zinc/11/23/07/839112307.db2.gz GGZSJSAYAOAXDL-DAXOMENPSA-N 2 2 354.426 0.793 20 0 FCADLP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685240 839112312 /nfs/dbraw/zinc/11/23/12/839112312.db2.gz GGZSJSAYAOAXDL-DAXOMENPSA-N 2 2 354.426 0.793 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685258 839113132 /nfs/dbraw/zinc/11/31/32/839113132.db2.gz HESUKDWZAPYKAT-BZUAXINKSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685258 839113137 /nfs/dbraw/zinc/11/31/37/839113137.db2.gz HESUKDWZAPYKAT-BZUAXINKSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685258 839113142 /nfs/dbraw/zinc/11/31/42/839113142.db2.gz HESUKDWZAPYKAT-BZUAXINKSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)C1 ZINC001077685258 839113148 /nfs/dbraw/zinc/11/31/48/839113148.db2.gz HESUKDWZAPYKAT-BZUAXINKSA-N 2 2 353.507 0.695 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001078018075 839294685 /nfs/dbraw/zinc/29/46/85/839294685.db2.gz MDZKIANALPDTNY-GDBMZVCRSA-N 2 2 361.471 0.622 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001078018075 839294695 /nfs/dbraw/zinc/29/46/95/839294695.db2.gz MDZKIANALPDTNY-GDBMZVCRSA-N 2 2 361.471 0.622 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001078080767 839322348 /nfs/dbraw/zinc/32/23/48/839322348.db2.gz DMDSLCGTSDHUAT-IAGOWNOFSA-N 2 2 350.463 0.629 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001078080767 839322359 /nfs/dbraw/zinc/32/23/59/839322359.db2.gz DMDSLCGTSDHUAT-IAGOWNOFSA-N 2 2 350.463 0.629 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174795 839380636 /nfs/dbraw/zinc/38/06/36/839380636.db2.gz SKTMYGXAIFQYDV-NWANDNLSSA-N 2 2 361.471 0.304 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174795 839380649 /nfs/dbraw/zinc/38/06/49/839380649.db2.gz SKTMYGXAIFQYDV-NWANDNLSSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174795 839380663 /nfs/dbraw/zinc/38/06/63/839380663.db2.gz SKTMYGXAIFQYDV-NWANDNLSSA-N 2 2 361.471 0.304 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4nsnc43)C[C@H]2O)C1 ZINC001078174795 839380673 /nfs/dbraw/zinc/38/06/73/839380673.db2.gz SKTMYGXAIFQYDV-NWANDNLSSA-N 2 2 361.471 0.304 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001078178947 839385120 /nfs/dbraw/zinc/38/51/20/839385120.db2.gz KZIWEPXUJZAOED-HUUCEWRRSA-N 2 2 361.471 0.448 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001078178947 839385131 /nfs/dbraw/zinc/38/51/31/839385131.db2.gz KZIWEPXUJZAOED-HUUCEWRRSA-N 2 2 361.471 0.448 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078182482 839386508 /nfs/dbraw/zinc/38/65/08/839386508.db2.gz XKQKQATZASFGAE-YNEHKIRRSA-N 2 2 361.273 0.937 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078182482 839386518 /nfs/dbraw/zinc/38/65/18/839386518.db2.gz XKQKQATZASFGAE-YNEHKIRRSA-N 2 2 361.273 0.937 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078182481 839387007 /nfs/dbraw/zinc/38/70/07/839387007.db2.gz XKQKQATZASFGAE-JHJVBQTASA-N 2 2 361.273 0.937 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1O ZINC001078182481 839387017 /nfs/dbraw/zinc/38/70/17/839387017.db2.gz XKQKQATZASFGAE-JHJVBQTASA-N 2 2 361.273 0.937 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228659 839418974 /nfs/dbraw/zinc/41/89/74/839418974.db2.gz ZGUGHXJZGRHIFQ-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228659 839418977 /nfs/dbraw/zinc/41/89/77/839418977.db2.gz ZGUGHXJZGRHIFQ-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228659 839418984 /nfs/dbraw/zinc/41/89/84/839418984.db2.gz ZGUGHXJZGRHIFQ-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001078228659 839418992 /nfs/dbraw/zinc/41/89/92/839418992.db2.gz ZGUGHXJZGRHIFQ-BRWVUGGUSA-N 2 2 350.463 0.827 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001078418580 839460521 /nfs/dbraw/zinc/46/05/21/839460521.db2.gz RSTDGTOOZJAPOO-VNQPRFMTSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cscn3)C2)O1 ZINC001078418580 839460528 /nfs/dbraw/zinc/46/05/28/839460528.db2.gz RSTDGTOOZJAPOO-VNQPRFMTSA-N 2 2 368.503 0.569 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789762 839591516 /nfs/dbraw/zinc/59/15/16/839591516.db2.gz WFVNLNQYYVKKAN-YRGRVCCFSA-N 2 2 352.504 0.994 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789762 839591525 /nfs/dbraw/zinc/59/15/25/839591525.db2.gz WFVNLNQYYVKKAN-YRGRVCCFSA-N 2 2 352.504 0.994 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951302 839629681 /nfs/dbraw/zinc/62/96/81/839629681.db2.gz GGHURRBKULIKQS-BQGCOEIASA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951302 839629688 /nfs/dbraw/zinc/62/96/88/839629688.db2.gz GGHURRBKULIKQS-BQGCOEIASA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951302 839629693 /nfs/dbraw/zinc/62/96/93/839629693.db2.gz GGHURRBKULIKQS-BQGCOEIASA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951302 839629699 /nfs/dbraw/zinc/62/96/99/839629699.db2.gz GGHURRBKULIKQS-BQGCOEIASA-N 2 2 350.463 0.893 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]2C)C1 ZINC001080446355 839726506 /nfs/dbraw/zinc/72/65/06/839726506.db2.gz IYVFRLSVFWLTKZ-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NC3CCCC3)C[C@H]2C)C1 ZINC001080446355 839726517 /nfs/dbraw/zinc/72/65/17/839726517.db2.gz IYVFRLSVFWLTKZ-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]2C)C1 ZINC001080446355 839726526 /nfs/dbraw/zinc/72/65/26/839726526.db2.gz IYVFRLSVFWLTKZ-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]2C)C1 ZINC001080446355 839726539 /nfs/dbraw/zinc/72/65/39/839726539.db2.gz IYVFRLSVFWLTKZ-BFYDXBDKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940880 839838355 /nfs/dbraw/zinc/83/83/55/839838355.db2.gz LUPDXDODXCRXNU-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940880 839838359 /nfs/dbraw/zinc/83/83/59/839838359.db2.gz LUPDXDODXCRXNU-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947690 839839338 /nfs/dbraw/zinc/83/93/38/839839338.db2.gz IXZJFQDKKWHGSI-VNQPRFMTSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947690 839839342 /nfs/dbraw/zinc/83/93/42/839839342.db2.gz IXZJFQDKKWHGSI-VNQPRFMTSA-N 2 2 368.503 0.453 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976708 839852495 /nfs/dbraw/zinc/85/24/95/839852495.db2.gz GSNLLZPEIATUTC-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976708 839852500 /nfs/dbraw/zinc/85/25/00/839852500.db2.gz GSNLLZPEIATUTC-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976708 839852505 /nfs/dbraw/zinc/85/25/05/839852505.db2.gz GSNLLZPEIATUTC-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2C)C1 ZINC001080976708 839852509 /nfs/dbraw/zinc/85/25/09/839852509.db2.gz GSNLLZPEIATUTC-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445882 839933123 /nfs/dbraw/zinc/93/31/23/839933123.db2.gz FRLRDSRYGQLCHW-OWCLPIDISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081445882 839933132 /nfs/dbraw/zinc/93/31/32/839933132.db2.gz FRLRDSRYGQLCHW-OWCLPIDISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081445882 839933143 /nfs/dbraw/zinc/93/31/43/839933143.db2.gz FRLRDSRYGQLCHW-OWCLPIDISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[NH+](CCc2csc(C)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081445882 839933148 /nfs/dbraw/zinc/93/31/48/839933148.db2.gz FRLRDSRYGQLCHW-OWCLPIDISA-N 2 2 352.504 0.904 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481559 839940092 /nfs/dbraw/zinc/94/00/92/839940092.db2.gz NCBJKBSQOIZZOY-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481559 839940101 /nfs/dbraw/zinc/94/01/01/839940101.db2.gz NCBJKBSQOIZZOY-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccsc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481559 839940106 /nfs/dbraw/zinc/94/01/06/839940106.db2.gz NCBJKBSQOIZZOY-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2ccsc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481559 839940113 /nfs/dbraw/zinc/94/01/13/839940113.db2.gz NCBJKBSQOIZZOY-BRWVUGGUSA-N 2 2 367.515 0.827 20 0 FCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414667 844490463 /nfs/dbraw/zinc/49/04/63/844490463.db2.gz MTWOKKWNDRLVFH-QLFBSQMISA-N 2 2 371.507 0.068 20 0 FCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102414667 844490465 /nfs/dbraw/zinc/49/04/65/844490465.db2.gz MTWOKKWNDRLVFH-QLFBSQMISA-N 2 2 371.507 0.068 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081672892 839994632 /nfs/dbraw/zinc/99/46/32/839994632.db2.gz OBMWCCFNSKZGRF-BZUAXINKSA-N 2 2 350.488 0.800 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081672892 839994644 /nfs/dbraw/zinc/99/46/44/839994644.db2.gz OBMWCCFNSKZGRF-BZUAXINKSA-N 2 2 350.488 0.800 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102466148 844508313 /nfs/dbraw/zinc/50/83/13/844508313.db2.gz HQXSABVHGYZWLY-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977698 840130301 /nfs/dbraw/zinc/13/03/01/840130301.db2.gz QCBJWKQYAXDVSR-WCXIOVBPSA-N 2 2 355.479 0.090 20 0 FCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977698 840130305 /nfs/dbraw/zinc/13/03/05/840130305.db2.gz QCBJWKQYAXDVSR-WCXIOVBPSA-N 2 2 355.479 0.090 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102466148 844508306 /nfs/dbraw/zinc/50/83/06/844508306.db2.gz HQXSABVHGYZWLY-UKRRQHHQSA-N 2 2 351.451 0.284 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057837 840166639 /nfs/dbraw/zinc/16/66/39/840166639.db2.gz GAQLSJRNMAELBL-MGPQQGTHSA-N 2 2 367.412 0.863 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001082057837 840166645 /nfs/dbraw/zinc/16/66/45/840166645.db2.gz GAQLSJRNMAELBL-MGPQQGTHSA-N 2 2 367.412 0.863 20 0 FCADLP CO[C@@H]1C[NH+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057837 840166650 /nfs/dbraw/zinc/16/66/50/840166650.db2.gz GAQLSJRNMAELBL-MGPQQGTHSA-N 2 2 367.412 0.863 20 0 FCADLP CO[C@@H]1C[NH+](CCC(F)(F)F)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082057837 840166655 /nfs/dbraw/zinc/16/66/55/840166655.db2.gz GAQLSJRNMAELBL-MGPQQGTHSA-N 2 2 367.412 0.863 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223275 840246514 /nfs/dbraw/zinc/24/65/14/840246514.db2.gz MUTUHZSIXPTBNT-ZYDHHDLOSA-N 2 2 355.870 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223275 840246521 /nfs/dbraw/zinc/24/65/21/840246521.db2.gz MUTUHZSIXPTBNT-ZYDHHDLOSA-N 2 2 355.870 0.626 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082346049 840328406 /nfs/dbraw/zinc/32/84/06/840328406.db2.gz NQZCCSUIFFRZMY-BRWVUGGUSA-N 2 2 350.463 0.891 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1)C1CCC1 ZINC001082346049 840328420 /nfs/dbraw/zinc/32/84/20/840328420.db2.gz NQZCCSUIFFRZMY-BRWVUGGUSA-N 2 2 350.463 0.891 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)o1 ZINC001082368837 840355724 /nfs/dbraw/zinc/35/57/24/840355724.db2.gz OVOAOIRSFXJQPC-IIAWOOMASA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)o1 ZINC001082368837 840355737 /nfs/dbraw/zinc/35/57/37/840355737.db2.gz OVOAOIRSFXJQPC-IIAWOOMASA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)o1 ZINC001082368837 840355744 /nfs/dbraw/zinc/35/57/44/840355744.db2.gz OVOAOIRSFXJQPC-IIAWOOMASA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)o1 ZINC001082368837 840355759 /nfs/dbraw/zinc/35/57/59/840355759.db2.gz OVOAOIRSFXJQPC-IIAWOOMASA-N 2 2 350.463 0.813 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001082590447 840479510 /nfs/dbraw/zinc/47/95/10/840479510.db2.gz WSKCBLLEHBMSAQ-HBJVGIJOSA-N 2 2 353.492 0.502 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001082590447 840479514 /nfs/dbraw/zinc/47/95/14/840479514.db2.gz WSKCBLLEHBMSAQ-HBJVGIJOSA-N 2 2 353.492 0.502 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082592513 840480750 /nfs/dbraw/zinc/48/07/50/840480750.db2.gz JHMMTNJVPGTZNE-UKRRQHHQSA-N 2 2 351.451 0.365 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513352 844545070 /nfs/dbraw/zinc/54/50/70/844545070.db2.gz GYVWYGPGOMWADU-RBSFLKMASA-N 2 2 368.503 0.081 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513352 844545076 /nfs/dbraw/zinc/54/50/76/844545076.db2.gz GYVWYGPGOMWADU-RBSFLKMASA-N 2 2 368.503 0.081 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082861043 840587194 /nfs/dbraw/zinc/58/71/94/840587194.db2.gz CWKRSGMONREZHT-DGCLKSJQSA-N 2 2 350.854 0.986 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923680 840605221 /nfs/dbraw/zinc/60/52/21/840605221.db2.gz WXQRXSSUYIHFJY-UMVBOHGHSA-N 2 2 351.451 0.283 20 0 FCADLP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001083148965 840753728 /nfs/dbraw/zinc/75/37/28/840753728.db2.gz QDWIXKZXGKWUBC-RRBAJYLESA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001083148965 840753731 /nfs/dbraw/zinc/75/37/31/840753731.db2.gz QDWIXKZXGKWUBC-RRBAJYLESA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]21 ZINC001083148965 840753741 /nfs/dbraw/zinc/75/37/41/840753741.db2.gz QDWIXKZXGKWUBC-RRBAJYLESA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]21 ZINC001083148965 840753747 /nfs/dbraw/zinc/75/37/47/840753747.db2.gz QDWIXKZXGKWUBC-RRBAJYLESA-N 2 2 367.877 0.514 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)sn1 ZINC001083275121 840855928 /nfs/dbraw/zinc/85/59/28/840855928.db2.gz PBYNMPBJHLJYKK-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)sn1 ZINC001083275121 840855939 /nfs/dbraw/zinc/85/59/39/840855939.db2.gz PBYNMPBJHLJYKK-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)sn1 ZINC001083275121 840855948 /nfs/dbraw/zinc/85/59/48/840855948.db2.gz PBYNMPBJHLJYKK-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)sn1 ZINC001083275121 840855956 /nfs/dbraw/zinc/85/59/56/840855956.db2.gz PBYNMPBJHLJYKK-VNQPRFMTSA-N 2 2 350.488 0.815 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373322 840945634 /nfs/dbraw/zinc/94/56/34/840945634.db2.gz ZIGSPODPOZPLKW-KURKYZTESA-N 2 2 353.507 0.981 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373322 840945639 /nfs/dbraw/zinc/94/56/39/840945639.db2.gz ZIGSPODPOZPLKW-KURKYZTESA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373322 840945646 /nfs/dbraw/zinc/94/56/46/840945646.db2.gz ZIGSPODPOZPLKW-KURKYZTESA-N 2 2 353.507 0.981 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001083373322 840945650 /nfs/dbraw/zinc/94/56/50/840945650.db2.gz ZIGSPODPOZPLKW-KURKYZTESA-N 2 2 353.507 0.981 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)s1 ZINC001083455429 841021329 /nfs/dbraw/zinc/02/13/29/841021329.db2.gz CNQSNQCATZFODH-PMPSAXMXSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)s1 ZINC001083455429 841021333 /nfs/dbraw/zinc/02/13/33/841021333.db2.gz CNQSNQCATZFODH-PMPSAXMXSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)s1 ZINC001083455429 841021335 /nfs/dbraw/zinc/02/13/35/841021335.db2.gz CNQSNQCATZFODH-PMPSAXMXSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)s1 ZINC001083455429 841021339 /nfs/dbraw/zinc/02/13/39/841021339.db2.gz CNQSNQCATZFODH-PMPSAXMXSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601736 841221486 /nfs/dbraw/zinc/22/14/86/841221486.db2.gz LFQPKGPUFDEYJS-KGLIPLIRSA-N 2 2 350.488 0.741 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601736 841221491 /nfs/dbraw/zinc/22/14/91/841221491.db2.gz LFQPKGPUFDEYJS-KGLIPLIRSA-N 2 2 350.488 0.741 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001083887661 841534581 /nfs/dbraw/zinc/53/45/81/841534581.db2.gz DXBZXZLGTCSPQD-CVEARBPZSA-N 2 2 352.504 0.579 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001083887661 841534586 /nfs/dbraw/zinc/53/45/86/841534586.db2.gz DXBZXZLGTCSPQD-CVEARBPZSA-N 2 2 352.504 0.579 20 0 FCADLP C[NH+](C)CCN1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001275845113 861224457 /nfs/dbraw/zinc/22/44/57/861224457.db2.gz XBQILCIVPMZQGP-LJQANCHMSA-N 2 2 351.539 0.252 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001084057325 841671155 /nfs/dbraw/zinc/67/11/55/841671155.db2.gz FZMHWKXWGNXGLQ-ZACQAIPSSA-N 2 2 367.877 0.631 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001084057325 841671161 /nfs/dbraw/zinc/67/11/61/841671161.db2.gz FZMHWKXWGNXGLQ-ZACQAIPSSA-N 2 2 367.877 0.631 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077947 841687978 /nfs/dbraw/zinc/68/79/78/841687978.db2.gz HXTMGWYNTDIUKT-IXDOHACOSA-N 2 2 367.515 0.563 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077947 841687983 /nfs/dbraw/zinc/68/79/83/841687983.db2.gz HXTMGWYNTDIUKT-IXDOHACOSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077947 841687989 /nfs/dbraw/zinc/68/79/89/841687989.db2.gz HXTMGWYNTDIUKT-IXDOHACOSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077947 841687996 /nfs/dbraw/zinc/68/79/96/841687996.db2.gz HXTMGWYNTDIUKT-IXDOHACOSA-N 2 2 367.515 0.563 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084832958 841926200 /nfs/dbraw/zinc/92/62/00/841926200.db2.gz HKHAZAPOMYPANI-BZUAXINKSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084832958 841926209 /nfs/dbraw/zinc/92/62/09/841926209.db2.gz HKHAZAPOMYPANI-BZUAXINKSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085242243 842053181 /nfs/dbraw/zinc/05/31/81/842053181.db2.gz JQTGGSSUQUAGAZ-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085242243 842053187 /nfs/dbraw/zinc/05/31/87/842053187.db2.gz JQTGGSSUQUAGAZ-NMFUWQPSSA-N 2 2 351.451 0.614 20 0 FCADLP CCn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086400332 842131388 /nfs/dbraw/zinc/13/13/88/842131388.db2.gz CGYVZMDJWKVQKB-IXYNUQLISA-N 2 2 350.467 0.002 20 0 FCADLP CCn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001086400332 842131394 /nfs/dbraw/zinc/13/13/94/842131394.db2.gz CGYVZMDJWKVQKB-IXYNUQLISA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086665108 842146391 /nfs/dbraw/zinc/14/63/91/842146391.db2.gz QWZKBCJHWUZAET-ZNMIVQPWSA-N 2 2 350.467 0.003 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086665108 842146396 /nfs/dbraw/zinc/14/63/96/842146396.db2.gz QWZKBCJHWUZAET-ZNMIVQPWSA-N 2 2 350.467 0.003 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC001086879961 842189245 /nfs/dbraw/zinc/18/92/45/842189245.db2.gz GHVVGVOUWLCVEL-BFHYXJOUSA-N 2 2 353.492 0.633 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC001086879961 842189249 /nfs/dbraw/zinc/18/92/49/842189249.db2.gz GHVVGVOUWLCVEL-BFHYXJOUSA-N 2 2 353.492 0.633 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087066882 842261680 /nfs/dbraw/zinc/26/16/80/842261680.db2.gz ZPNJIVOAMUFICN-ZIAGYGMSSA-N 2 2 364.475 0.696 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087088280 842280331 /nfs/dbraw/zinc/28/03/31/842280331.db2.gz QYSVKCKLMRZFKK-NVXWUHKLSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnon2)C1 ZINC001087181266 842310798 /nfs/dbraw/zinc/31/07/98/842310798.db2.gz JYZZTXQPAUZFKT-LUYZLQTOSA-N 2 2 351.451 0.505 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnon2)C1 ZINC001087181266 842310812 /nfs/dbraw/zinc/31/08/12/842310812.db2.gz JYZZTXQPAUZFKT-LUYZLQTOSA-N 2 2 351.451 0.505 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnns2)C1 ZINC001087248174 842325836 /nfs/dbraw/zinc/32/58/36/842325836.db2.gz RWWIPCMLJIFFSK-IJEWVQPXSA-N 2 2 367.519 0.976 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cnns2)C1 ZINC001087248174 842325848 /nfs/dbraw/zinc/32/58/48/842325848.db2.gz RWWIPCMLJIFFSK-IJEWVQPXSA-N 2 2 367.519 0.976 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CC(=O)N(C)C ZINC001087700498 842409074 /nfs/dbraw/zinc/40/90/74/842409074.db2.gz OBFUCTHMKMSGKZ-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CC(=O)N(C)C ZINC001087700498 842409077 /nfs/dbraw/zinc/40/90/77/842409077.db2.gz OBFUCTHMKMSGKZ-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N(C)C ZINC001087700498 842409084 /nfs/dbraw/zinc/40/90/84/842409084.db2.gz OBFUCTHMKMSGKZ-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N(C)C ZINC001087700498 842409090 /nfs/dbraw/zinc/40/90/90/842409090.db2.gz OBFUCTHMKMSGKZ-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087830598 842442360 /nfs/dbraw/zinc/44/23/60/842442360.db2.gz NYLOKZNEQITDRK-OWCLPIDISA-N 2 2 368.503 0.595 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087830598 842442374 /nfs/dbraw/zinc/44/23/74/842442374.db2.gz NYLOKZNEQITDRK-OWCLPIDISA-N 2 2 368.503 0.595 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920464 842471411 /nfs/dbraw/zinc/47/14/11/842471411.db2.gz PYOMWUVQPYWIDP-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920464 842471417 /nfs/dbraw/zinc/47/14/17/842471417.db2.gz PYOMWUVQPYWIDP-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920464 842471422 /nfs/dbraw/zinc/47/14/22/842471422.db2.gz PYOMWUVQPYWIDP-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccns4)CC[C@@H]3C2)C1 ZINC001087920464 842471425 /nfs/dbraw/zinc/47/14/25/842471425.db2.gz PYOMWUVQPYWIDP-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049537 842516865 /nfs/dbraw/zinc/51/68/65/842516865.db2.gz MPJKNQMCYYEGEF-XDNAFOTISA-N 2 2 351.491 0.666 20 0 FCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049537 842516871 /nfs/dbraw/zinc/51/68/71/842516871.db2.gz MPJKNQMCYYEGEF-XDNAFOTISA-N 2 2 351.491 0.666 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](Cc3cnns3)CC[C@@H]2C1 ZINC001088140443 842542527 /nfs/dbraw/zinc/54/25/27/842542527.db2.gz LZAVXBFXGJHCRR-CABCVRRESA-N 2 2 365.503 0.541 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](Cc3cnns3)CC[C@@H]2C1 ZINC001088140443 842542537 /nfs/dbraw/zinc/54/25/37/842542537.db2.gz LZAVXBFXGJHCRR-CABCVRRESA-N 2 2 365.503 0.541 20 0 FCADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088208490 842561523 /nfs/dbraw/zinc/56/15/23/842561523.db2.gz CPSDMPTYEXXUTN-FGTMMUONSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088208490 842561531 /nfs/dbraw/zinc/56/15/31/842561531.db2.gz CPSDMPTYEXXUTN-FGTMMUONSA-N 2 2 351.491 0.260 20 0 FCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208705 842561675 /nfs/dbraw/zinc/56/16/75/842561675.db2.gz NQJZBXQYGHVZPH-SQNIBIBYSA-N 2 2 351.491 0.524 20 0 FCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208705 842561681 /nfs/dbraw/zinc/56/16/81/842561681.db2.gz NQJZBXQYGHVZPH-SQNIBIBYSA-N 2 2 351.491 0.524 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cnon3)C2)O1 ZINC001088335206 842567851 /nfs/dbraw/zinc/56/78/51/842567851.db2.gz YGAFCQCZDRKWGD-IJEWVQPXSA-N 2 2 351.451 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3cnon3)C2)O1 ZINC001088335206 842567861 /nfs/dbraw/zinc/56/78/61/842567861.db2.gz YGAFCQCZDRKWGD-IJEWVQPXSA-N 2 2 351.451 0.650 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001088494227 842587483 /nfs/dbraw/zinc/58/74/83/842587483.db2.gz QWTYPFGRYJNERZ-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001088494227 842587487 /nfs/dbraw/zinc/58/74/87/842587487.db2.gz QWTYPFGRYJNERZ-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001088494227 842587493 /nfs/dbraw/zinc/58/74/93/842587493.db2.gz QWTYPFGRYJNERZ-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)N1CCC(C)CC1 ZINC001088494227 842587497 /nfs/dbraw/zinc/58/74/97/842587497.db2.gz QWTYPFGRYJNERZ-IXDOHACOSA-N 2 2 350.507 0.918 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750220 842666194 /nfs/dbraw/zinc/66/61/94/842666194.db2.gz CDWYGYYLLHAVAL-OAGGEKHMSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001088750220 842666198 /nfs/dbraw/zinc/66/61/98/842666198.db2.gz CDWYGYYLLHAVAL-OAGGEKHMSA-N 2 2 368.503 0.595 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814703 842685445 /nfs/dbraw/zinc/68/54/45/842685445.db2.gz FYXHDRSBVWLBRL-VNQPRFMTSA-N 2 2 350.467 0.003 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814703 842685447 /nfs/dbraw/zinc/68/54/47/842685447.db2.gz FYXHDRSBVWLBRL-VNQPRFMTSA-N 2 2 350.467 0.003 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814703 842685452 /nfs/dbraw/zinc/68/54/52/842685452.db2.gz FYXHDRSBVWLBRL-VNQPRFMTSA-N 2 2 350.467 0.003 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2C)C1 ZINC001088814703 842685454 /nfs/dbraw/zinc/68/54/54/842685454.db2.gz FYXHDRSBVWLBRL-VNQPRFMTSA-N 2 2 350.467 0.003 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001088939353 842723376 /nfs/dbraw/zinc/72/33/76/842723376.db2.gz LKWWJWACRODKQL-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001088939353 842723369 /nfs/dbraw/zinc/72/33/69/842723369.db2.gz LKWWJWACRODKQL-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001088981778 842734859 /nfs/dbraw/zinc/73/48/59/842734859.db2.gz LUOGIGBLUYLSDD-CJNGLKHVSA-N 2 2 368.503 0.366 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001088981778 842734864 /nfs/dbraw/zinc/73/48/64/842734864.db2.gz LUOGIGBLUYLSDD-CJNGLKHVSA-N 2 2 368.503 0.366 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945574 842775443 /nfs/dbraw/zinc/77/54/43/842775443.db2.gz STGPXCFTVCWKBO-BZUAXINKSA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[NH+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945574 842775455 /nfs/dbraw/zinc/77/54/55/842775455.db2.gz STGPXCFTVCWKBO-BZUAXINKSA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@H+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945574 842775459 /nfs/dbraw/zinc/77/54/59/842775459.db2.gz STGPXCFTVCWKBO-BZUAXINKSA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[N@@H+](CCF)CC3(CCOCC3)C2)O1 ZINC001089945574 842775464 /nfs/dbraw/zinc/77/54/64/842775464.db2.gz STGPXCFTVCWKBO-BZUAXINKSA-N 2 2 357.470 0.662 20 0 FCADLP Cc1nc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001091095856 842960963 /nfs/dbraw/zinc/96/09/63/842960963.db2.gz HESHSEXIVQDKPD-JGVXXWTJSA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC001091095856 842960972 /nfs/dbraw/zinc/96/09/72/842960972.db2.gz HESHSEXIVQDKPD-JGVXXWTJSA-N 2 2 350.463 0.995 20 0 FCADLP CCn1ncc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097541 842961756 /nfs/dbraw/zinc/96/17/56/842961756.db2.gz RCXFDAAQPUCSNK-UWLZSVRSSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091097541 842961761 /nfs/dbraw/zinc/96/17/61/842961761.db2.gz RCXFDAAQPUCSNK-UWLZSVRSSA-N 2 2 350.467 0.002 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001091946667 843127033 /nfs/dbraw/zinc/12/70/33/843127033.db2.gz HBJCHYWDNZKXEP-AYBZRNKSSA-N 2 2 351.491 0.402 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091946667 843127039 /nfs/dbraw/zinc/12/70/39/843127039.db2.gz HBJCHYWDNZKXEP-AYBZRNKSSA-N 2 2 351.491 0.402 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091946667 843127042 /nfs/dbraw/zinc/12/70/42/843127042.db2.gz HBJCHYWDNZKXEP-AYBZRNKSSA-N 2 2 351.491 0.402 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091946667 843127044 /nfs/dbraw/zinc/12/70/44/843127044.db2.gz HBJCHYWDNZKXEP-AYBZRNKSSA-N 2 2 351.491 0.402 20 0 FCADLP CCc1cnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092522068 843227710 /nfs/dbraw/zinc/22/77/10/843227710.db2.gz KFKCIGTWUPRHHD-IIAWOOMASA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092522068 843227720 /nfs/dbraw/zinc/22/77/20/843227720.db2.gz KFKCIGTWUPRHHD-IIAWOOMASA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092522068 843227729 /nfs/dbraw/zinc/22/77/29/843227729.db2.gz KFKCIGTWUPRHHD-IIAWOOMASA-N 2 2 350.463 0.752 20 0 FCADLP CCc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092522068 843227738 /nfs/dbraw/zinc/22/77/38/843227738.db2.gz KFKCIGTWUPRHHD-IIAWOOMASA-N 2 2 350.463 0.752 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092741459 843290714 /nfs/dbraw/zinc/29/07/14/843290714.db2.gz DDPMUCHRLDXDBD-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092741459 843290724 /nfs/dbraw/zinc/29/07/24/843290724.db2.gz DDPMUCHRLDXDBD-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP CCOC(=O)CC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317983 861412569 /nfs/dbraw/zinc/41/25/69/861412569.db2.gz QULNEHLAVGBKQC-KRWDZBQOSA-N 2 2 350.419 0.177 20 0 FCADLP CCOC(=O)CC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276317983 861412574 /nfs/dbraw/zinc/41/25/74/861412574.db2.gz QULNEHLAVGBKQC-KRWDZBQOSA-N 2 2 350.419 0.177 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195414 843403309 /nfs/dbraw/zinc/40/33/09/843403309.db2.gz QQSMTAWZYMFQSF-FRRDWIJNSA-N 2 2 366.491 0.112 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195414 843403318 /nfs/dbraw/zinc/40/33/18/843403318.db2.gz QQSMTAWZYMFQSF-FRRDWIJNSA-N 2 2 366.491 0.112 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195414 843403328 /nfs/dbraw/zinc/40/33/28/843403328.db2.gz QQSMTAWZYMFQSF-FRRDWIJNSA-N 2 2 366.491 0.112 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195414 843403335 /nfs/dbraw/zinc/40/33/35/843403335.db2.gz QQSMTAWZYMFQSF-FRRDWIJNSA-N 2 2 366.491 0.112 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193417 843403956 /nfs/dbraw/zinc/40/39/56/843403956.db2.gz IMVAKXDWMAXBTM-MGPQQGTHSA-N 2 2 365.503 0.717 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193417 843403959 /nfs/dbraw/zinc/40/39/59/843403959.db2.gz IMVAKXDWMAXBTM-MGPQQGTHSA-N 2 2 365.503 0.717 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193417 843403963 /nfs/dbraw/zinc/40/39/63/843403963.db2.gz IMVAKXDWMAXBTM-MGPQQGTHSA-N 2 2 365.503 0.717 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193417 843403965 /nfs/dbraw/zinc/40/39/65/843403965.db2.gz IMVAKXDWMAXBTM-MGPQQGTHSA-N 2 2 365.503 0.717 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208734 843407495 /nfs/dbraw/zinc/40/74/95/843407495.db2.gz CZTDVQCOKHSGBL-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208734 843407499 /nfs/dbraw/zinc/40/74/99/843407499.db2.gz CZTDVQCOKHSGBL-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208734 843407504 /nfs/dbraw/zinc/40/75/04/843407504.db2.gz CZTDVQCOKHSGBL-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)C1 ZINC001093208734 843407508 /nfs/dbraw/zinc/40/75/08/843407508.db2.gz CZTDVQCOKHSGBL-UNEWFSDZSA-N 2 2 350.463 0.888 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093446865 843433066 /nfs/dbraw/zinc/43/30/66/843433066.db2.gz NKZYUVODDDTOJN-KNCCTNLNSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450866 843435118 /nfs/dbraw/zinc/43/51/18/843435118.db2.gz YHAFNNJDDBGVQF-XYVMCAHJSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093450866 843435133 /nfs/dbraw/zinc/43/51/33/843435133.db2.gz YHAFNNJDDBGVQF-XYVMCAHJSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCn2cc[nH+]c2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454199 843436255 /nfs/dbraw/zinc/43/62/55/843436255.db2.gz AAHFUFRVDZRRTL-JOCBIADPSA-N 2 2 350.463 0.232 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691167 843456646 /nfs/dbraw/zinc/45/66/46/843456646.db2.gz KUYMGROXOKJVMJ-MRVWCRGKSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691167 843456653 /nfs/dbraw/zinc/45/66/53/843456653.db2.gz KUYMGROXOKJVMJ-MRVWCRGKSA-N 2 2 353.492 0.361 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094132560 843518897 /nfs/dbraw/zinc/51/88/97/843518897.db2.gz KZNGHRHIIZPVSQ-MGPQQGTHSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094254846 843540911 /nfs/dbraw/zinc/54/09/11/843540911.db2.gz PSJYJVPDPZXAKR-GDBMZVCRSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094254937 843541084 /nfs/dbraw/zinc/54/10/84/843541084.db2.gz XXTFYPVFCATBCG-RBSFLKMASA-N 2 2 354.476 0.002 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@@H+]1C ZINC001098676797 843928790 /nfs/dbraw/zinc/92/87/90/843928790.db2.gz WNEJOCINNPDIPL-HRCADAONSA-N 2 2 352.458 0.841 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@H+]1C ZINC001098676797 843928793 /nfs/dbraw/zinc/92/87/93/843928793.db2.gz WNEJOCINNPDIPL-HRCADAONSA-N 2 2 352.458 0.841 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099029389 843956757 /nfs/dbraw/zinc/95/67/57/843956757.db2.gz BDEPCBSPUYVHHG-VHSSKADRSA-N 2 2 354.470 0.655 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099029389 843956763 /nfs/dbraw/zinc/95/67/63/843956763.db2.gz BDEPCBSPUYVHHG-VHSSKADRSA-N 2 2 354.470 0.655 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1 ZINC001099029389 843956768 /nfs/dbraw/zinc/95/67/68/843956768.db2.gz BDEPCBSPUYVHHG-VHSSKADRSA-N 2 2 354.470 0.655 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1 ZINC001099029389 843956773 /nfs/dbraw/zinc/95/67/73/843956773.db2.gz BDEPCBSPUYVHHG-VHSSKADRSA-N 2 2 354.470 0.655 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001099163502 843966575 /nfs/dbraw/zinc/96/65/75/843966575.db2.gz YDMUOAJNKZJPCZ-HOCLYGCPSA-N 2 2 354.476 0.207 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001099163502 843966581 /nfs/dbraw/zinc/96/65/81/843966581.db2.gz YDMUOAJNKZJPCZ-HOCLYGCPSA-N 2 2 354.476 0.207 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099284759 844004753 /nfs/dbraw/zinc/00/47/53/844004753.db2.gz KLRIJGLIUAJKCR-MGPQQGTHSA-N 2 2 367.412 0.459 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099284759 844004760 /nfs/dbraw/zinc/00/47/60/844004760.db2.gz KLRIJGLIUAJKCR-MGPQQGTHSA-N 2 2 367.412 0.459 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819646 844652292 /nfs/dbraw/zinc/65/22/92/844652292.db2.gz YREWWVYRIWOGCG-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819646 844652295 /nfs/dbraw/zinc/65/22/95/844652295.db2.gz YREWWVYRIWOGCG-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819646 844652298 /nfs/dbraw/zinc/65/22/98/844652298.db2.gz YREWWVYRIWOGCG-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819646 844652301 /nfs/dbraw/zinc/65/23/01/844652301.db2.gz YREWWVYRIWOGCG-BPLDGKMQSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819107 844652770 /nfs/dbraw/zinc/65/27/70/844652770.db2.gz NEVIPNNPDBQSBA-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819107 844652776 /nfs/dbraw/zinc/65/27/76/844652776.db2.gz NEVIPNNPDBQSBA-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001102819107 844652781 /nfs/dbraw/zinc/65/27/81/844652781.db2.gz NEVIPNNPDBQSBA-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001102819107 844652787 /nfs/dbraw/zinc/65/27/87/844652787.db2.gz NEVIPNNPDBQSBA-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472210 844763184 /nfs/dbraw/zinc/76/31/84/844763184.db2.gz IROQRUKWMBORMK-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472210 844763189 /nfs/dbraw/zinc/76/31/89/844763189.db2.gz IROQRUKWMBORMK-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H](CC(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001103479991 844766637 /nfs/dbraw/zinc/76/66/37/844766637.db2.gz XQINZLIZOKCYFK-OWCLPIDISA-N 2 2 370.519 0.953 20 0 FCADLP C[C@@H](CC(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001103479991 844766631 /nfs/dbraw/zinc/76/66/31/844766631.db2.gz XQINZLIZOKCYFK-OWCLPIDISA-N 2 2 370.519 0.953 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1)CS(C)(=O)=O ZINC001103576221 844783681 /nfs/dbraw/zinc/78/36/81/844783681.db2.gz UGBUYQDVHLVJFN-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1)CS(C)(=O)=O ZINC001103576221 844783689 /nfs/dbraw/zinc/78/36/89/844783689.db2.gz UGBUYQDVHLVJFN-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779155 844822195 /nfs/dbraw/zinc/82/21/95/844822195.db2.gz OVXPBGVRSHMLFC-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779155 844822200 /nfs/dbraw/zinc/82/22/00/844822200.db2.gz OVXPBGVRSHMLFC-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104034222 844857526 /nfs/dbraw/zinc/85/75/26/844857526.db2.gz YKRZVIKVVMXGFH-MGPQQGTHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104034222 844857529 /nfs/dbraw/zinc/85/75/29/844857529.db2.gz YKRZVIKVVMXGFH-MGPQQGTHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnsn3)C2)C1 ZINC001105042020 844974021 /nfs/dbraw/zinc/97/40/21/844974021.db2.gz LMVYRLQFTLNBOF-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnsn3)C2)C1 ZINC001105042020 844974027 /nfs/dbraw/zinc/97/40/27/844974027.db2.gz LMVYRLQFTLNBOF-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[C@@H](F)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105244006 844984823 /nfs/dbraw/zinc/98/48/23/844984823.db2.gz NIECZGZITXAZIK-XJKCOSOUSA-N 2 2 352.458 0.839 20 0 FCADLP CC[C@@H](F)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105244006 844984827 /nfs/dbraw/zinc/98/48/27/844984827.db2.gz NIECZGZITXAZIK-XJKCOSOUSA-N 2 2 352.458 0.839 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106068842 845092726 /nfs/dbraw/zinc/09/27/26/845092726.db2.gz PYHWKMFAZQTOPQ-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106343293 845160610 /nfs/dbraw/zinc/16/06/10/845160610.db2.gz XTAPQQFIVXPPLP-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106678184 845222782 /nfs/dbraw/zinc/22/27/82/845222782.db2.gz BIWIARIJBUTHFL-KBUPBQIOSA-N 2 2 368.503 0.252 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701542 861547397 /nfs/dbraw/zinc/54/73/97/861547397.db2.gz KQBOUPDTLQHAGG-QGZVFWFLSA-N 2 2 350.419 0.345 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701542 861547402 /nfs/dbraw/zinc/54/74/02/861547402.db2.gz KQBOUPDTLQHAGG-QGZVFWFLSA-N 2 2 350.419 0.345 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001107078361 845326510 /nfs/dbraw/zinc/32/65/10/845326510.db2.gz FGRFWRGQACNKOB-ZACQAIPSSA-N 2 2 350.463 0.763 20 0 FCADLP CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276762331 861587214 /nfs/dbraw/zinc/58/72/14/861587214.db2.gz JDRZIIVYKURBQW-HOTGVXAUSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408444 845647204 /nfs/dbraw/zinc/64/72/04/845647204.db2.gz OEMNDMCZYVWZOT-ORQFMDKSSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408444 845647208 /nfs/dbraw/zinc/64/72/08/845647208.db2.gz OEMNDMCZYVWZOT-ORQFMDKSSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408444 845647215 /nfs/dbraw/zinc/64/72/15/845647215.db2.gz OEMNDMCZYVWZOT-ORQFMDKSSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2)CS(C)(=O)=O ZINC001109408444 845647219 /nfs/dbraw/zinc/64/72/19/845647219.db2.gz OEMNDMCZYVWZOT-ORQFMDKSSA-N 2 2 371.547 0.873 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109464022 845666035 /nfs/dbraw/zinc/66/60/35/845666035.db2.gz IAGMJMLXEXDOGG-FZKCQIBNSA-N 2 2 371.547 0.873 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109464022 845666039 /nfs/dbraw/zinc/66/60/39/845666039.db2.gz IAGMJMLXEXDOGG-FZKCQIBNSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109464022 845666044 /nfs/dbraw/zinc/66/60/44/845666044.db2.gz IAGMJMLXEXDOGG-FZKCQIBNSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001109464022 845666047 /nfs/dbraw/zinc/66/60/47/845666047.db2.gz IAGMJMLXEXDOGG-FZKCQIBNSA-N 2 2 371.547 0.873 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549383 845684723 /nfs/dbraw/zinc/68/47/23/845684723.db2.gz ZCQHXUGGSBPTIC-PMPSAXMXSA-N 2 2 350.463 0.737 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH+]ccn1C)C2 ZINC001109549383 845684730 /nfs/dbraw/zinc/68/47/30/845684730.db2.gz ZCQHXUGGSBPTIC-PMPSAXMXSA-N 2 2 350.463 0.737 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001109654883 845705720 /nfs/dbraw/zinc/70/57/20/845705720.db2.gz AUNZSBFZWGSHJU-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001109654883 845705728 /nfs/dbraw/zinc/70/57/28/845705728.db2.gz AUNZSBFZWGSHJU-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719059 845721072 /nfs/dbraw/zinc/72/10/72/845721072.db2.gz SWHPROGMDPCCGB-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719059 845721070 /nfs/dbraw/zinc/72/10/70/845721070.db2.gz SWHPROGMDPCCGB-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109719059 845721075 /nfs/dbraw/zinc/72/10/75/845721075.db2.gz SWHPROGMDPCCGB-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109719059 845721078 /nfs/dbraw/zinc/72/10/78/845721078.db2.gz SWHPROGMDPCCGB-NCOADZHNSA-N 2 2 350.507 0.917 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109864899 845749485 /nfs/dbraw/zinc/74/94/85/845749485.db2.gz ZYKRGJQKCGNCQH-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109864899 845749492 /nfs/dbraw/zinc/74/94/92/845749492.db2.gz ZYKRGJQKCGNCQH-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)sn1 ZINC001109977628 845771066 /nfs/dbraw/zinc/77/10/66/845771066.db2.gz RZJZGLFDPHSQOU-SNPRPXQTSA-N 2 2 368.503 0.951 20 0 FCADLP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)sn1 ZINC001109977628 845771068 /nfs/dbraw/zinc/77/10/68/845771068.db2.gz RZJZGLFDPHSQOU-SNPRPXQTSA-N 2 2 368.503 0.951 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101985 845790145 /nfs/dbraw/zinc/79/01/45/845790145.db2.gz NWLLTCIATHQDRZ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101985 845790151 /nfs/dbraw/zinc/79/01/51/845790151.db2.gz NWLLTCIATHQDRZ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101985 845790157 /nfs/dbraw/zinc/79/01/57/845790157.db2.gz NWLLTCIATHQDRZ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101985 845790162 /nfs/dbraw/zinc/79/01/62/845790162.db2.gz NWLLTCIATHQDRZ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110159686 845809006 /nfs/dbraw/zinc/80/90/06/845809006.db2.gz UEVWFYPWRMAIAV-FZKCQIBNSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110159686 845809011 /nfs/dbraw/zinc/80/90/11/845809011.db2.gz UEVWFYPWRMAIAV-FZKCQIBNSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110159686 845809017 /nfs/dbraw/zinc/80/90/17/845809017.db2.gz UEVWFYPWRMAIAV-FZKCQIBNSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001110159686 845809025 /nfs/dbraw/zinc/80/90/25/845809025.db2.gz UEVWFYPWRMAIAV-FZKCQIBNSA-N 2 2 357.520 0.483 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110550376 845916066 /nfs/dbraw/zinc/91/60/66/845916066.db2.gz OFVCPZKHQUZDKD-LVQVYYBASA-N 2 2 372.535 0.130 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110550376 845916076 /nfs/dbraw/zinc/91/60/76/845916076.db2.gz OFVCPZKHQUZDKD-LVQVYYBASA-N 2 2 372.535 0.130 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110550376 845916083 /nfs/dbraw/zinc/91/60/83/845916083.db2.gz OFVCPZKHQUZDKD-LVQVYYBASA-N 2 2 372.535 0.130 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110550376 845916088 /nfs/dbraw/zinc/91/60/88/845916088.db2.gz OFVCPZKHQUZDKD-LVQVYYBASA-N 2 2 372.535 0.130 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110658575 845942716 /nfs/dbraw/zinc/94/27/16/845942716.db2.gz XVWIIXIGZYZIRC-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001110658575 845942722 /nfs/dbraw/zinc/94/27/22/845942722.db2.gz XVWIIXIGZYZIRC-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110658575 845942723 /nfs/dbraw/zinc/94/27/23/845942723.db2.gz XVWIIXIGZYZIRC-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110658575 845942727 /nfs/dbraw/zinc/94/27/27/845942727.db2.gz XVWIIXIGZYZIRC-HZMVEIRTSA-N 2 2 350.507 0.822 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001110734195 845963092 /nfs/dbraw/zinc/96/30/92/845963092.db2.gz BXIKJXZSQGKOFD-LOWDOPEQSA-N 2 2 353.467 0.022 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001110734195 845963096 /nfs/dbraw/zinc/96/30/96/845963096.db2.gz BXIKJXZSQGKOFD-LOWDOPEQSA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001110734195 845963099 /nfs/dbraw/zinc/96/30/99/845963099.db2.gz BXIKJXZSQGKOFD-LOWDOPEQSA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001110734195 845963102 /nfs/dbraw/zinc/96/31/02/845963102.db2.gz BXIKJXZSQGKOFD-LOWDOPEQSA-N 2 2 353.467 0.022 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001110959195 846002256 /nfs/dbraw/zinc/00/22/56/846002256.db2.gz GQUXMSYKTAUHGP-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1(CS(C)(=O)=O)CC1 ZINC001110959195 846002263 /nfs/dbraw/zinc/00/22/63/846002263.db2.gz GQUXMSYKTAUHGP-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001110994163 846009641 /nfs/dbraw/zinc/00/96/41/846009641.db2.gz RAWAMXRYIMTFRL-LVQVYYBASA-N 2 2 374.551 0.186 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001110994163 846009646 /nfs/dbraw/zinc/00/96/46/846009646.db2.gz RAWAMXRYIMTFRL-LVQVYYBASA-N 2 2 374.551 0.186 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111021799 846017010 /nfs/dbraw/zinc/01/70/10/846017010.db2.gz DYVIUPXKAVAQKZ-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111021799 846017016 /nfs/dbraw/zinc/01/70/16/846017016.db2.gz DYVIUPXKAVAQKZ-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111021799 846017024 /nfs/dbraw/zinc/01/70/24/846017024.db2.gz DYVIUPXKAVAQKZ-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111021799 846017027 /nfs/dbraw/zinc/01/70/27/846017027.db2.gz DYVIUPXKAVAQKZ-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276826003 861636340 /nfs/dbraw/zinc/63/63/40/861636340.db2.gz AFPWRMXVOKZSEW-WMZOPIPTSA-N 2 2 350.463 0.451 20 0 FCADLP CC(C)[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276826003 861636348 /nfs/dbraw/zinc/63/63/48/861636348.db2.gz AFPWRMXVOKZSEW-WMZOPIPTSA-N 2 2 350.463 0.451 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001111312305 846084283 /nfs/dbraw/zinc/08/42/83/846084283.db2.gz ADGOLTVCPGTZOX-FPCVCCKLSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001111312305 846084291 /nfs/dbraw/zinc/08/42/91/846084291.db2.gz ADGOLTVCPGTZOX-FPCVCCKLSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111312305 846084298 /nfs/dbraw/zinc/08/42/98/846084298.db2.gz ADGOLTVCPGTZOX-FPCVCCKLSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111312305 846084305 /nfs/dbraw/zinc/08/43/05/846084305.db2.gz ADGOLTVCPGTZOX-FPCVCCKLSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111312815 846084488 /nfs/dbraw/zinc/08/44/88/846084488.db2.gz YZYWFABMSLNGMQ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111312815 846084495 /nfs/dbraw/zinc/08/44/95/846084495.db2.gz YZYWFABMSLNGMQ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111312815 846084503 /nfs/dbraw/zinc/08/45/03/846084503.db2.gz YZYWFABMSLNGMQ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111312815 846084510 /nfs/dbraw/zinc/08/45/10/846084510.db2.gz YZYWFABMSLNGMQ-SVGFKBNWSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)CS(C)(=O)=O ZINC001111408351 846099638 /nfs/dbraw/zinc/09/96/38/846099638.db2.gz UTDQADCMHBYFJT-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)CS(C)(=O)=O ZINC001111408351 846099645 /nfs/dbraw/zinc/09/96/45/846099645.db2.gz UTDQADCMHBYFJT-JJXSEGSLSA-N 2 2 357.520 0.484 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407877 846099984 /nfs/dbraw/zinc/09/99/84/846099984.db2.gz XZXWJBGKRRIFAY-FPCVCCKLSA-N 2 2 369.531 0.484 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407877 846099990 /nfs/dbraw/zinc/09/99/90/846099990.db2.gz XZXWJBGKRRIFAY-FPCVCCKLSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407877 846099997 /nfs/dbraw/zinc/09/99/97/846099997.db2.gz XZXWJBGKRRIFAY-FPCVCCKLSA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2(CS(C)(=O)=O)CC2)C1 ZINC001111407877 846100002 /nfs/dbraw/zinc/10/00/02/846100002.db2.gz XZXWJBGKRRIFAY-FPCVCCKLSA-N 2 2 369.531 0.484 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731735 846184567 /nfs/dbraw/zinc/18/45/67/846184567.db2.gz LEDNNGMZJCJTTQ-YOEHRIQHSA-N 2 2 368.503 0.748 20 0 FCADLP 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[NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)C1 ZINC001159721603 850131350 /nfs/dbraw/zinc/13/13/50/850131350.db2.gz FXOFIUWYKHQTMD-STQMWFEESA-N 2 2 363.487 0.287 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832230 850139981 /nfs/dbraw/zinc/13/99/81/850139981.db2.gz BGKORXYDRPDRKS-QEJZJMRPSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832230 850139990 /nfs/dbraw/zinc/13/99/90/850139990.db2.gz BGKORXYDRPDRKS-QEJZJMRPSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832230 850139994 /nfs/dbraw/zinc/13/99/94/850139994.db2.gz BGKORXYDRPDRKS-QEJZJMRPSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832230 850140004 /nfs/dbraw/zinc/14/00/04/850140004.db2.gz BGKORXYDRPDRKS-QEJZJMRPSA-N 2 2 360.487 0.859 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336643 850168428 /nfs/dbraw/zinc/16/84/28/850168428.db2.gz HJCKAIIUZQKNJM-BFHYXJOUSA-N 2 2 351.451 0.150 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336643 850168433 /nfs/dbraw/zinc/16/84/33/850168433.db2.gz HJCKAIIUZQKNJM-BFHYXJOUSA-N 2 2 351.451 0.150 20 0 FCADLP CCOc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001160857783 850207122 /nfs/dbraw/zinc/20/71/22/850207122.db2.gz QITQNSSOHLRZHR-VXGBXAGGSA-N 2 2 357.480 0.252 20 0 FCADLP CCOc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001160857783 850207131 /nfs/dbraw/zinc/20/71/31/850207131.db2.gz QITQNSSOHLRZHR-VXGBXAGGSA-N 2 2 357.480 0.252 20 0 FCADLP CSc1nc(Cl)cc(N2CCCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)n1 ZINC001161055554 850226655 /nfs/dbraw/zinc/22/66/55/850226655.db2.gz YOSMMIPGKIKLLY-MNOVXSKESA-N 2 2 370.910 0.580 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001161238049 850243560 /nfs/dbraw/zinc/24/35/60/850243560.db2.gz RBAZGGHXJHGDMF-UKRRQHHQSA-N 2 2 351.472 0.812 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001161238049 850243572 /nfs/dbraw/zinc/24/35/72/850243572.db2.gz RBAZGGHXJHGDMF-UKRRQHHQSA-N 2 2 351.472 0.812 20 0 FCADLP O=S1(=O)CCN(c2cc[nH+]c(CNc3ncnc4c3C[NH2+]C4)c2)CC1 ZINC001162064900 850295828 /nfs/dbraw/zinc/29/58/28/850295828.db2.gz BJSRPOSGWAGDGQ-UHFFFAOYSA-N 2 2 360.443 0.322 20 0 FCADLP CS(=O)(=O)N1CCN(c2cccc(NC[C@@H]3C[C@H](F)C[NH2+]3)[nH+]2)CC1 ZINC001162476381 850320500 /nfs/dbraw/zinc/32/05/00/850320500.db2.gz XNILIDWCNNXMQI-STQMWFEESA-N 2 2 357.455 0.275 20 0 FCADLP CCOCCNC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2 ZINC001277836940 862124849 /nfs/dbraw/zinc/12/48/49/862124849.db2.gz SRZODBVDMKRERT-IRXDYDNUSA-N 2 2 355.523 0.944 20 0 FCADLP C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001168893421 850598047 /nfs/dbraw/zinc/59/80/47/850598047.db2.gz IBKJKJHZJFQIEA-CYBMUJFWSA-N 2 2 350.515 0.539 20 0 FCADLP C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001168893421 850598053 /nfs/dbraw/zinc/59/80/53/850598053.db2.gz IBKJKJHZJFQIEA-CYBMUJFWSA-N 2 2 350.515 0.539 20 0 FCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169369656 850618930 /nfs/dbraw/zinc/61/89/30/850618930.db2.gz HTDIXNATPVEFJI-XDQVBPFNSA-N 2 2 357.451 0.633 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]cnc3[nH]cc([S@@](C)=O)c32)O1 ZINC001170270055 850648737 /nfs/dbraw/zinc/64/87/37/850648737.db2.gz CZQHZJPEOHNTPJ-KEKZAMHHSA-N 2 2 353.448 0.784 20 0 FCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)C1 ZINC001177096058 850825892 /nfs/dbraw/zinc/82/58/92/850825892.db2.gz VEBCHCVHDNITSL-GXTWGEPZSA-N 2 2 351.451 0.913 20 0 FCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)C1 ZINC001177096058 850825906 /nfs/dbraw/zinc/82/59/06/850825906.db2.gz VEBCHCVHDNITSL-GXTWGEPZSA-N 2 2 351.451 0.913 20 0 FCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)C1 ZINC001177096058 850825919 /nfs/dbraw/zinc/82/59/19/850825919.db2.gz VEBCHCVHDNITSL-GXTWGEPZSA-N 2 2 351.451 0.913 20 0 FCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)C1 ZINC001177096058 850825923 /nfs/dbraw/zinc/82/59/23/850825923.db2.gz VEBCHCVHDNITSL-GXTWGEPZSA-N 2 2 351.451 0.913 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178932365 850939187 /nfs/dbraw/zinc/93/91/87/850939187.db2.gz GYLZKAFPXSGTPV-DGAVXFQQSA-N 2 2 354.476 0.527 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178932365 850939194 /nfs/dbraw/zinc/93/91/94/850939194.db2.gz GYLZKAFPXSGTPV-DGAVXFQQSA-N 2 2 354.476 0.527 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179558058 850982557 /nfs/dbraw/zinc/98/25/57/850982557.db2.gz WDFVIKNQFIFAGW-DGAVXFQQSA-N 2 2 354.476 0.147 20 0 FCADLP CO[C@H](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181566401 851122168 /nfs/dbraw/zinc/12/21/68/851122168.db2.gz PBQIAKXOZBWHEM-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CO[C@H](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181566401 851122176 /nfs/dbraw/zinc/12/21/76/851122176.db2.gz PBQIAKXOZBWHEM-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001182837766 851202043 /nfs/dbraw/zinc/20/20/43/851202043.db2.gz DCBRGWUBHSBMRQ-ZDUSSCGKSA-N 2 2 356.448 0.091 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001182837766 851202053 /nfs/dbraw/zinc/20/20/53/851202053.db2.gz DCBRGWUBHSBMRQ-ZDUSSCGKSA-N 2 2 356.448 0.091 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@@H+]1C ZINC001185941677 851401213 /nfs/dbraw/zinc/40/12/13/851401213.db2.gz BNKPUNDURRYSIS-FVQBIDKESA-N 2 2 352.458 0.841 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@H+]1C ZINC001185941677 851401224 /nfs/dbraw/zinc/40/12/24/851401224.db2.gz BNKPUNDURRYSIS-FVQBIDKESA-N 2 2 352.458 0.841 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857653 851616018 /nfs/dbraw/zinc/61/60/18/851616018.db2.gz ORYSSOCPVGROAD-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857653 851616025 /nfs/dbraw/zinc/61/60/25/851616025.db2.gz ORYSSOCPVGROAD-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857653 851616032 /nfs/dbraw/zinc/61/60/32/851616032.db2.gz ORYSSOCPVGROAD-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21 ZINC001187857653 851616037 /nfs/dbraw/zinc/61/60/37/851616037.db2.gz ORYSSOCPVGROAD-YESZJQIVSA-N 2 2 371.547 0.827 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818652 851729280 /nfs/dbraw/zinc/72/92/80/851729280.db2.gz MAXNOFAJLLUSBN-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818652 851729289 /nfs/dbraw/zinc/72/92/89/851729289.db2.gz MAXNOFAJLLUSBN-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818652 851729298 /nfs/dbraw/zinc/72/92/98/851729298.db2.gz MAXNOFAJLLUSBN-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818652 851729301 /nfs/dbraw/zinc/72/93/01/851729301.db2.gz MAXNOFAJLLUSBN-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP COCc1noc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)n1 ZINC001189055446 851746660 /nfs/dbraw/zinc/74/66/60/851746660.db2.gz USZFTCWQEWLVKL-MELADBBJSA-N 2 2 351.451 0.761 20 0 FCADLP COCc1noc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)n1 ZINC001189055446 851746666 /nfs/dbraw/zinc/74/66/66/851746666.db2.gz USZFTCWQEWLVKL-MELADBBJSA-N 2 2 351.451 0.761 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118154 851753879 /nfs/dbraw/zinc/75/38/79/851753879.db2.gz RDVBIMDQPDRVHR-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118154 851753880 /nfs/dbraw/zinc/75/38/80/851753880.db2.gz RDVBIMDQPDRVHR-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118154 851753882 /nfs/dbraw/zinc/75/38/82/851753882.db2.gz RDVBIMDQPDRVHR-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189118154 851753884 /nfs/dbraw/zinc/75/38/84/851753884.db2.gz RDVBIMDQPDRVHR-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CC1(C)OCC(C[N@H+]2C[C@H]3CN(CCn4cc[nH+]c4)C[C@@H](C2)O3)CO1 ZINC001278268336 862283829 /nfs/dbraw/zinc/28/38/29/862283829.db2.gz UWXVJCKDRUXDRF-CALCHBBNSA-N 2 2 350.463 0.667 20 0 FCADLP CC1(C)OCC(C[N@@H+]2C[C@H]3CN(CCn4cc[nH+]c4)C[C@@H](C2)O3)CO1 ZINC001278268336 862283846 /nfs/dbraw/zinc/28/38/46/862283846.db2.gz UWXVJCKDRUXDRF-CALCHBBNSA-N 2 2 350.463 0.667 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189477174 851794538 /nfs/dbraw/zinc/79/45/38/851794538.db2.gz FLDXNJZNADXRJR-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189477174 851794543 /nfs/dbraw/zinc/79/45/43/851794543.db2.gz FLDXNJZNADXRJR-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001189530030 851798606 /nfs/dbraw/zinc/79/86/06/851798606.db2.gz CSVICCKKYBKVLR-DLBZAZTESA-N 2 2 371.547 0.686 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001189530030 851798614 /nfs/dbraw/zinc/79/86/14/851798614.db2.gz CSVICCKKYBKVLR-DLBZAZTESA-N 2 2 371.547 0.686 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189523162 851798955 /nfs/dbraw/zinc/79/89/55/851798955.db2.gz YBEWNWUKAJJHFN-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189523162 851798958 /nfs/dbraw/zinc/79/89/58/851798958.db2.gz YBEWNWUKAJJHFN-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP CCc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189793294 851825359 /nfs/dbraw/zinc/82/53/59/851825359.db2.gz ACBGCCLATDQICL-GOEBONIOSA-N 2 2 350.463 0.848 20 0 FCADLP CCc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189793294 851825362 /nfs/dbraw/zinc/82/53/62/851825362.db2.gz ACBGCCLATDQICL-GOEBONIOSA-N 2 2 350.463 0.848 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCOCC)C[C@H]21 ZINC001189898232 851838729 /nfs/dbraw/zinc/83/87/29/851838729.db2.gz GUIXYXWYLMNEDK-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCCOCC)C[C@H]21 ZINC001189898232 851838736 /nfs/dbraw/zinc/83/87/36/851838736.db2.gz GUIXYXWYLMNEDK-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001189898232 851838742 /nfs/dbraw/zinc/83/87/42/851838742.db2.gz GUIXYXWYLMNEDK-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001189898232 851838747 /nfs/dbraw/zinc/83/87/47/851838747.db2.gz GUIXYXWYLMNEDK-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193110958 852358375 /nfs/dbraw/zinc/35/83/75/852358375.db2.gz LFWAZOPAICNECY-HZPDHXFCSA-N 2 2 350.463 0.350 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193110958 852358381 /nfs/dbraw/zinc/35/83/81/852358381.db2.gz LFWAZOPAICNECY-HZPDHXFCSA-N 2 2 350.463 0.350 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745072 852480338 /nfs/dbraw/zinc/48/03/38/852480338.db2.gz BZSMUYHPPWARDN-HZPDHXFCSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745072 852480341 /nfs/dbraw/zinc/48/03/41/852480341.db2.gz BZSMUYHPPWARDN-HZPDHXFCSA-N 2 2 350.463 0.691 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902148 852504838 /nfs/dbraw/zinc/50/48/38/852504838.db2.gz OAJUERUSQQAXNN-BZUAXINKSA-N 2 2 369.897 0.572 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902148 852504841 /nfs/dbraw/zinc/50/48/41/852504841.db2.gz OAJUERUSQQAXNN-BZUAXINKSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902148 852504844 /nfs/dbraw/zinc/50/48/44/852504844.db2.gz OAJUERUSQQAXNN-BZUAXINKSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001193902148 852504845 /nfs/dbraw/zinc/50/48/45/852504845.db2.gz OAJUERUSQQAXNN-BZUAXINKSA-N 2 2 369.897 0.572 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244227 852563814 /nfs/dbraw/zinc/56/38/14/852563814.db2.gz LPKVCLFALXXGKQ-ARFHVFGLSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244227 852563818 /nfs/dbraw/zinc/56/38/18/852563818.db2.gz LPKVCLFALXXGKQ-ARFHVFGLSA-N 2 2 350.463 0.422 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251774 852566853 /nfs/dbraw/zinc/56/68/53/852566853.db2.gz SCUOULQVLFFQIF-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251774 852566862 /nfs/dbraw/zinc/56/68/62/852566862.db2.gz SCUOULQVLFFQIF-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195129004 852713179 /nfs/dbraw/zinc/71/31/79/852713179.db2.gz UEDAWGUZMHHYBN-CHWSQXEVSA-N 2 2 364.368 0.404 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001195129004 852713181 /nfs/dbraw/zinc/71/31/81/852713181.db2.gz UEDAWGUZMHHYBN-CHWSQXEVSA-N 2 2 364.368 0.404 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221945 852726571 /nfs/dbraw/zinc/72/65/71/852726571.db2.gz MTXJIDSCSODCPK-RBSFLKMASA-N 2 2 354.495 0.066 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221945 852726579 /nfs/dbraw/zinc/72/65/79/852726579.db2.gz MTXJIDSCSODCPK-RBSFLKMASA-N 2 2 354.495 0.066 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)o1 ZINC001195980680 852859696 /nfs/dbraw/zinc/85/96/96/852859696.db2.gz CDQFDAADVQFMNQ-CKEIUWERSA-N 2 2 352.479 0.793 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001196276074 852929686 /nfs/dbraw/zinc/92/96/86/852929686.db2.gz JFPLUXRELPWKGG-IXDOHACOSA-N 2 2 353.438 0.320 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001196276074 852929691 /nfs/dbraw/zinc/92/96/91/852929691.db2.gz JFPLUXRELPWKGG-IXDOHACOSA-N 2 2 353.438 0.320 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268847 852930047 /nfs/dbraw/zinc/93/00/47/852930047.db2.gz MONRWRQVHABUML-OWCLPIDISA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268847 852930053 /nfs/dbraw/zinc/93/00/53/852930053.db2.gz MONRWRQVHABUML-OWCLPIDISA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268847 852930063 /nfs/dbraw/zinc/93/00/63/852930063.db2.gz MONRWRQVHABUML-OWCLPIDISA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268847 852930072 /nfs/dbraw/zinc/93/00/72/852930072.db2.gz MONRWRQVHABUML-OWCLPIDISA-N 2 2 354.495 0.284 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196938994 853035964 /nfs/dbraw/zinc/03/59/64/853035964.db2.gz BKRRXXOVIRKFGF-IAGOWNOFSA-N 2 2 357.495 0.075 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196938994 853035971 /nfs/dbraw/zinc/03/59/71/853035971.db2.gz BKRRXXOVIRKFGF-IAGOWNOFSA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197024373 853050837 /nfs/dbraw/zinc/05/08/37/853050837.db2.gz CHJBTPDRXYQWKP-BRWVUGGUSA-N 2 2 351.495 0.448 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O)C(C)C ZINC001197024373 853050845 /nfs/dbraw/zinc/05/08/45/853050845.db2.gz CHJBTPDRXYQWKP-BRWVUGGUSA-N 2 2 351.495 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493332 853123474 /nfs/dbraw/zinc/12/34/74/853123474.db2.gz JFBMHSGSRDMDRV-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493332 853123477 /nfs/dbraw/zinc/12/34/77/853123477.db2.gz JFBMHSGSRDMDRV-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493332 853123478 /nfs/dbraw/zinc/12/34/78/853123478.db2.gz JFBMHSGSRDMDRV-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001197493332 853123480 /nfs/dbraw/zinc/12/34/80/853123480.db2.gz JFBMHSGSRDMDRV-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949673 853191094 /nfs/dbraw/zinc/19/10/94/853191094.db2.gz UCMPXYOJBJYCIB-HUUCEWRRSA-N 2 2 356.511 0.184 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197949673 853191096 /nfs/dbraw/zinc/19/10/96/853191096.db2.gz UCMPXYOJBJYCIB-HUUCEWRRSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001198046340 853209290 /nfs/dbraw/zinc/20/92/90/853209290.db2.gz AWNTXEHZLVVKTR-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001198046340 853209298 /nfs/dbraw/zinc/20/92/98/853209298.db2.gz AWNTXEHZLVVKTR-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001198046340 853209309 /nfs/dbraw/zinc/20/93/09/853209309.db2.gz AWNTXEHZLVVKTR-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001198046340 853209315 /nfs/dbraw/zinc/20/93/15/853209315.db2.gz AWNTXEHZLVVKTR-HZPDHXFCSA-N 2 2 353.438 0.708 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001198292822 853247072 /nfs/dbraw/zinc/24/70/72/853247072.db2.gz SHRLTAPJKVOJGK-IAGOWNOFSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001198292822 853247080 /nfs/dbraw/zinc/24/70/80/853247080.db2.gz SHRLTAPJKVOJGK-IAGOWNOFSA-N 2 2 350.463 0.331 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CC1 ZINC001199397718 853419531 /nfs/dbraw/zinc/41/95/31/853419531.db2.gz ARBCOHGBDFCZAL-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C1CC1 ZINC001199397718 853419535 /nfs/dbraw/zinc/41/95/35/853419535.db2.gz ARBCOHGBDFCZAL-BRWVUGGUSA-N 2 2 350.463 0.640 20 0 FCADLP COCCCC[NH+]1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC001199946444 853466534 /nfs/dbraw/zinc/46/65/34/853466534.db2.gz JHVRIUWFDCBVRD-UHFFFAOYSA-N 2 2 358.552 0.627 20 0 FCADLP C[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739294 853716641 /nfs/dbraw/zinc/71/66/41/853716641.db2.gz DFZCVXFMYGQLDU-UPJWGTAASA-N 2 2 353.385 0.332 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001206739294 853716650 /nfs/dbraw/zinc/71/66/50/853716650.db2.gz DFZCVXFMYGQLDU-UPJWGTAASA-N 2 2 353.385 0.332 20 0 FCADLP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001206739294 853716661 /nfs/dbraw/zinc/71/66/61/853716661.db2.gz DFZCVXFMYGQLDU-UPJWGTAASA-N 2 2 353.385 0.332 20 0 FCADLP C[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001206739294 853716667 /nfs/dbraw/zinc/71/66/67/853716667.db2.gz DFZCVXFMYGQLDU-UPJWGTAASA-N 2 2 353.385 0.332 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437641 853812807 /nfs/dbraw/zinc/81/28/07/853812807.db2.gz CIEXDTUVLFXNJW-HYVNUMGLSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437641 853812811 /nfs/dbraw/zinc/81/28/11/853812811.db2.gz CIEXDTUVLFXNJW-HYVNUMGLSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437641 853812815 /nfs/dbraw/zinc/81/28/15/853812815.db2.gz CIEXDTUVLFXNJW-HYVNUMGLSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437641 853812819 /nfs/dbraw/zinc/81/28/19/853812819.db2.gz CIEXDTUVLFXNJW-HYVNUMGLSA-N 2 2 352.479 0.812 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437653 853812913 /nfs/dbraw/zinc/81/29/13/853812913.db2.gz CMWWCPWXABMSFL-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437653 853812919 /nfs/dbraw/zinc/81/29/19/853812919.db2.gz CMWWCPWXABMSFL-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207551003 853823729 /nfs/dbraw/zinc/82/37/29/853823729.db2.gz QEMKNUOSNRPWCK-FVQBIDKESA-N 2 2 359.536 0.588 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207551003 853823736 /nfs/dbraw/zinc/82/37/36/853823736.db2.gz QEMKNUOSNRPWCK-FVQBIDKESA-N 2 2 359.536 0.588 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073865 853892642 /nfs/dbraw/zinc/89/26/42/853892642.db2.gz KHDUYRDFVUXEOB-QGPMSJSTSA-N 2 2 350.507 0.824 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073865 853892644 /nfs/dbraw/zinc/89/26/44/853892644.db2.gz KHDUYRDFVUXEOB-QGPMSJSTSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208590093 853957671 /nfs/dbraw/zinc/95/76/71/853957671.db2.gz BGSTWAMJHRSXJN-OWCLPIDISA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208590093 853957677 /nfs/dbraw/zinc/95/76/77/853957677.db2.gz BGSTWAMJHRSXJN-OWCLPIDISA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001208590093 853957682 /nfs/dbraw/zinc/95/76/82/853957682.db2.gz BGSTWAMJHRSXJN-OWCLPIDISA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001208590093 853957685 /nfs/dbraw/zinc/95/76/85/853957685.db2.gz BGSTWAMJHRSXJN-OWCLPIDISA-N 2 2 371.547 0.732 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208598177 853959303 /nfs/dbraw/zinc/95/93/03/853959303.db2.gz YIAFYMHGCAQAGY-LBTNJELSSA-N 2 2 356.486 0.772 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208598177 853959307 /nfs/dbraw/zinc/95/93/07/853959307.db2.gz YIAFYMHGCAQAGY-LBTNJELSSA-N 2 2 356.486 0.772 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001208598177 853959309 /nfs/dbraw/zinc/95/93/09/853959309.db2.gz YIAFYMHGCAQAGY-LBTNJELSSA-N 2 2 356.486 0.772 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001208598177 853959314 /nfs/dbraw/zinc/95/93/14/853959314.db2.gz YIAFYMHGCAQAGY-LBTNJELSSA-N 2 2 356.486 0.772 20 0 FCADLP C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001208738756 853970907 /nfs/dbraw/zinc/97/09/07/853970907.db2.gz AZUWHLUYDIBLFK-UHFFFAOYSA-N 2 2 368.547 0.975 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC001209013062 853988972 /nfs/dbraw/zinc/98/89/72/853988972.db2.gz NGADQYHYYLEACB-MRXNPFEDSA-N 3 2 360.568 0.758 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC001209013062 853988978 /nfs/dbraw/zinc/98/89/78/853988978.db2.gz NGADQYHYYLEACB-MRXNPFEDSA-N 3 2 360.568 0.758 20 0 FCADLP COCCC[N@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001209052159 853993680 /nfs/dbraw/zinc/99/36/80/853993680.db2.gz RPOYXNSREMPPBO-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP COCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001209052159 853993682 /nfs/dbraw/zinc/99/36/82/853993682.db2.gz RPOYXNSREMPPBO-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)o1 ZINC001209506196 854032846 /nfs/dbraw/zinc/03/28/46/854032846.db2.gz ITPBNPMZCVDXER-CZUORRHYSA-N 2 2 350.463 0.950 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)o1 ZINC001209506196 854032851 /nfs/dbraw/zinc/03/28/51/854032851.db2.gz ITPBNPMZCVDXER-CZUORRHYSA-N 2 2 350.463 0.950 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634903 854042653 /nfs/dbraw/zinc/04/26/53/854042653.db2.gz LSFUCAUOCGAKMA-ZIAGYGMSSA-N 2 2 355.483 0.001 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634903 854042658 /nfs/dbraw/zinc/04/26/58/854042658.db2.gz LSFUCAUOCGAKMA-ZIAGYGMSSA-N 2 2 355.483 0.001 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040510 854072607 /nfs/dbraw/zinc/07/26/07/854072607.db2.gz JDULIYYXDLXHMQ-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040510 854072611 /nfs/dbraw/zinc/07/26/11/854072611.db2.gz JDULIYYXDLXHMQ-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040510 854072616 /nfs/dbraw/zinc/07/26/16/854072616.db2.gz JDULIYYXDLXHMQ-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040510 854072622 /nfs/dbraw/zinc/07/26/22/854072622.db2.gz JDULIYYXDLXHMQ-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210514147 854115728 /nfs/dbraw/zinc/11/57/28/854115728.db2.gz RCFSPRWUUMMYTK-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210514147 854115731 /nfs/dbraw/zinc/11/57/31/854115731.db2.gz RCFSPRWUUMMYTK-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210514147 854115733 /nfs/dbraw/zinc/11/57/33/854115733.db2.gz RCFSPRWUUMMYTK-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001210514147 854115735 /nfs/dbraw/zinc/11/57/35/854115735.db2.gz RCFSPRWUUMMYTK-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210723590 854130616 /nfs/dbraw/zinc/13/06/16/854130616.db2.gz OBYAGWQPUIQBEM-IIAWOOMASA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210723590 854130624 /nfs/dbraw/zinc/13/06/24/854130624.db2.gz OBYAGWQPUIQBEM-IIAWOOMASA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026140 854147412 /nfs/dbraw/zinc/14/74/12/854147412.db2.gz SYMCWOHHGOVFBX-IIAWOOMASA-N 2 2 364.515 0.753 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026140 854147420 /nfs/dbraw/zinc/14/74/20/854147420.db2.gz SYMCWOHHGOVFBX-IIAWOOMASA-N 2 2 364.515 0.753 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211026140 854147423 /nfs/dbraw/zinc/14/74/23/854147423.db2.gz SYMCWOHHGOVFBX-IIAWOOMASA-N 2 2 364.515 0.753 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211026140 854147429 /nfs/dbraw/zinc/14/74/29/854147429.db2.gz SYMCWOHHGOVFBX-IIAWOOMASA-N 2 2 364.515 0.753 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026141 854148033 /nfs/dbraw/zinc/14/80/33/854148033.db2.gz SYMCWOHHGOVFBX-IJEWVQPXSA-N 2 2 364.515 0.753 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026141 854148036 /nfs/dbraw/zinc/14/80/36/854148036.db2.gz SYMCWOHHGOVFBX-IJEWVQPXSA-N 2 2 364.515 0.753 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211026141 854148038 /nfs/dbraw/zinc/14/80/38/854148038.db2.gz SYMCWOHHGOVFBX-IJEWVQPXSA-N 2 2 364.515 0.753 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccs2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211026141 854148040 /nfs/dbraw/zinc/14/80/40/854148040.db2.gz SYMCWOHHGOVFBX-IJEWVQPXSA-N 2 2 364.515 0.753 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211054507 854151691 /nfs/dbraw/zinc/15/16/91/854151691.db2.gz PNGSNDDKUBRDQJ-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211054507 854151693 /nfs/dbraw/zinc/15/16/93/854151693.db2.gz PNGSNDDKUBRDQJ-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444021 854199959 /nfs/dbraw/zinc/19/99/59/854199959.db2.gz KUHNJAVQCJLAMT-HZPDHXFCSA-N 2 2 359.536 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444021 854199963 /nfs/dbraw/zinc/19/99/63/854199963.db2.gz KUHNJAVQCJLAMT-HZPDHXFCSA-N 2 2 359.536 0.734 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212200998 854402799 /nfs/dbraw/zinc/40/27/99/854402799.db2.gz KMWQHVAWBUAAAK-BZUAXINKSA-N 2 2 350.463 0.973 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CC1 ZINC001212200998 854402802 /nfs/dbraw/zinc/40/28/02/854402802.db2.gz KMWQHVAWBUAAAK-BZUAXINKSA-N 2 2 350.463 0.973 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H](OC)C2)C1 ZINC001212201293 854402840 /nfs/dbraw/zinc/40/28/40/854402840.db2.gz ZFAAGNSZTGCOAW-QDIHITRGSA-N 2 2 350.463 0.973 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H](OC)C2)C1 ZINC001212201293 854402844 /nfs/dbraw/zinc/40/28/44/854402844.db2.gz ZFAAGNSZTGCOAW-QDIHITRGSA-N 2 2 350.463 0.973 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418489 854470781 /nfs/dbraw/zinc/47/07/81/854470781.db2.gz IFMOWIRUHNBKFL-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418489 854470785 /nfs/dbraw/zinc/47/07/85/854470785.db2.gz IFMOWIRUHNBKFL-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418489 854470787 /nfs/dbraw/zinc/47/07/87/854470787.db2.gz IFMOWIRUHNBKFL-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418489 854470790 /nfs/dbraw/zinc/47/07/90/854470790.db2.gz IFMOWIRUHNBKFL-NUEKZKHPSA-N 2 2 354.495 0.201 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212476857 854493865 /nfs/dbraw/zinc/49/38/65/854493865.db2.gz GMGAHQKYUJIVTI-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212476857 854493871 /nfs/dbraw/zinc/49/38/71/854493871.db2.gz GMGAHQKYUJIVTI-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212483186 854497322 /nfs/dbraw/zinc/49/73/22/854497322.db2.gz DVDGEXDBVGRWKY-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212483186 854497323 /nfs/dbraw/zinc/49/73/23/854497323.db2.gz DVDGEXDBVGRWKY-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212483186 854497325 /nfs/dbraw/zinc/49/73/25/854497325.db2.gz DVDGEXDBVGRWKY-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212483186 854497327 /nfs/dbraw/zinc/49/73/27/854497327.db2.gz DVDGEXDBVGRWKY-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219448 854538727 /nfs/dbraw/zinc/53/87/27/854538727.db2.gz SQLWQDCNUXRQGL-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219448 854538735 /nfs/dbraw/zinc/53/87/35/854538735.db2.gz SQLWQDCNUXRQGL-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219448 854538746 /nfs/dbraw/zinc/53/87/46/854538746.db2.gz SQLWQDCNUXRQGL-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219448 854538750 /nfs/dbraw/zinc/53/87/50/854538750.db2.gz SQLWQDCNUXRQGL-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219220 854538813 /nfs/dbraw/zinc/53/88/13/854538813.db2.gz HLKJOGPDCCPATG-NUEKZKHPSA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219220 854538818 /nfs/dbraw/zinc/53/88/18/854538818.db2.gz HLKJOGPDCCPATG-NUEKZKHPSA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001213219220 854538825 /nfs/dbraw/zinc/53/88/25/854538825.db2.gz HLKJOGPDCCPATG-NUEKZKHPSA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001213219220 854538834 /nfs/dbraw/zinc/53/88/34/854538834.db2.gz HLKJOGPDCCPATG-NUEKZKHPSA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219219 854539319 /nfs/dbraw/zinc/53/93/19/854539319.db2.gz HLKJOGPDCCPATG-FVQBIDKESA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219219 854539323 /nfs/dbraw/zinc/53/93/23/854539323.db2.gz HLKJOGPDCCPATG-FVQBIDKESA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001213219219 854539327 /nfs/dbraw/zinc/53/93/27/854539327.db2.gz HLKJOGPDCCPATG-FVQBIDKESA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001213219219 854539331 /nfs/dbraw/zinc/53/93/31/854539331.db2.gz HLKJOGPDCCPATG-FVQBIDKESA-N 2 2 354.495 0.330 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213328010 854576379 /nfs/dbraw/zinc/57/63/79/854576379.db2.gz YLZHJOCLZVYADX-CAOSSQGBSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213328010 854576381 /nfs/dbraw/zinc/57/63/81/854576381.db2.gz YLZHJOCLZVYADX-CAOSSQGBSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213328010 854576383 /nfs/dbraw/zinc/57/63/83/854576383.db2.gz YLZHJOCLZVYADX-CAOSSQGBSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213328010 854576385 /nfs/dbraw/zinc/57/63/85/854576385.db2.gz YLZHJOCLZVYADX-CAOSSQGBSA-N 2 2 354.495 0.010 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](OC)C1 ZINC001213371257 854591442 /nfs/dbraw/zinc/59/14/42/854591442.db2.gz WGLLVKQRIIZIPQ-ARFHVFGLSA-N 2 2 351.451 0.072 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](OC)C1 ZINC001213371257 854591449 /nfs/dbraw/zinc/59/14/49/854591449.db2.gz WGLLVKQRIIZIPQ-ARFHVFGLSA-N 2 2 351.451 0.072 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](OC)C1 ZINC001213371257 854591453 /nfs/dbraw/zinc/59/14/53/854591453.db2.gz WGLLVKQRIIZIPQ-ARFHVFGLSA-N 2 2 351.451 0.072 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](OC)C1 ZINC001213371257 854591460 /nfs/dbraw/zinc/59/14/60/854591460.db2.gz WGLLVKQRIIZIPQ-ARFHVFGLSA-N 2 2 351.451 0.072 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435054 854614564 /nfs/dbraw/zinc/61/45/64/854614564.db2.gz RAJSVFYVBOVUAV-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435054 854614571 /nfs/dbraw/zinc/61/45/71/854614571.db2.gz RAJSVFYVBOVUAV-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446466 854619914 /nfs/dbraw/zinc/61/99/14/854619914.db2.gz MCDVEPFAVGPDRQ-HUUCEWRRSA-N 2 2 356.511 0.258 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446466 854619915 /nfs/dbraw/zinc/61/99/15/854619915.db2.gz MCDVEPFAVGPDRQ-HUUCEWRRSA-N 2 2 356.511 0.258 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446466 854619917 /nfs/dbraw/zinc/61/99/17/854619917.db2.gz MCDVEPFAVGPDRQ-HUUCEWRRSA-N 2 2 356.511 0.258 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446466 854619918 /nfs/dbraw/zinc/61/99/18/854619918.db2.gz MCDVEPFAVGPDRQ-HUUCEWRRSA-N 2 2 356.511 0.258 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446173 854619935 /nfs/dbraw/zinc/61/99/35/854619935.db2.gz CRYBQBRCEPWAPN-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446173 854619936 /nfs/dbraw/zinc/61/99/36/854619936.db2.gz CRYBQBRCEPWAPN-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446173 854619937 /nfs/dbraw/zinc/61/99/37/854619937.db2.gz CRYBQBRCEPWAPN-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446173 854619938 /nfs/dbraw/zinc/61/99/38/854619938.db2.gz CRYBQBRCEPWAPN-QLFBSQMISA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446719 854620660 /nfs/dbraw/zinc/62/06/60/854620660.db2.gz UIJMCXKQSPKLEF-RRFJBIMHSA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446719 854620666 /nfs/dbraw/zinc/62/06/66/854620666.db2.gz UIJMCXKQSPKLEF-RRFJBIMHSA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446719 854620670 /nfs/dbraw/zinc/62/06/70/854620670.db2.gz UIJMCXKQSPKLEF-RRFJBIMHSA-N 2 2 356.511 0.256 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446719 854620675 /nfs/dbraw/zinc/62/06/75/854620675.db2.gz UIJMCXKQSPKLEF-RRFJBIMHSA-N 2 2 356.511 0.256 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213594928 854679527 /nfs/dbraw/zinc/67/95/27/854679527.db2.gz UISQWQRHPBVGHH-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213594928 854679530 /nfs/dbraw/zinc/67/95/30/854679530.db2.gz UISQWQRHPBVGHH-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213675855 854710697 /nfs/dbraw/zinc/71/06/97/854710697.db2.gz CLRAOLCKJZTYCV-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213675855 854710700 /nfs/dbraw/zinc/71/07/00/854710700.db2.gz CLRAOLCKJZTYCV-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213675855 854710704 /nfs/dbraw/zinc/71/07/04/854710704.db2.gz CLRAOLCKJZTYCV-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213675855 854710706 /nfs/dbraw/zinc/71/07/06/854710706.db2.gz CLRAOLCKJZTYCV-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929972 854831191 /nfs/dbraw/zinc/83/11/91/854831191.db2.gz UCBFBYCSMISCQJ-ARFHVFGLSA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929972 854831173 /nfs/dbraw/zinc/83/11/73/854831173.db2.gz UCBFBYCSMISCQJ-ARFHVFGLSA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929972 854831184 /nfs/dbraw/zinc/83/11/84/854831184.db2.gz UCBFBYCSMISCQJ-ARFHVFGLSA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929972 854831203 /nfs/dbraw/zinc/83/12/03/854831203.db2.gz UCBFBYCSMISCQJ-ARFHVFGLSA-N 2 2 356.511 0.303 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974115 854851071 /nfs/dbraw/zinc/85/10/71/854851071.db2.gz IYJDNBWMHPVQCB-OWCLPIDISA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974115 854851079 /nfs/dbraw/zinc/85/10/79/854851079.db2.gz IYJDNBWMHPVQCB-OWCLPIDISA-N 2 2 354.495 0.332 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214812043 855016367 /nfs/dbraw/zinc/01/63/67/855016367.db2.gz PGDKMXDLQXMCKN-UKRRQHHQSA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214812043 855016371 /nfs/dbraw/zinc/01/63/71/855016371.db2.gz PGDKMXDLQXMCKN-UKRRQHHQSA-N 2 2 368.503 0.604 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024385 855054008 /nfs/dbraw/zinc/05/40/08/855054008.db2.gz JIEWQMYKXMPOEK-IUODEOHRSA-N 2 2 351.451 0.265 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215200236 855080612 /nfs/dbraw/zinc/08/06/12/855080612.db2.gz UGAWMDZKIPHNGR-ZIAGYGMSSA-N 2 2 356.492 0.224 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001215269190 855092552 /nfs/dbraw/zinc/09/25/52/855092552.db2.gz PTOYXQACEPVHLR-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001215455865 855117069 /nfs/dbraw/zinc/11/70/69/855117069.db2.gz HHKXSXISJWXOOK-BZTDXJTPSA-N 2 2 353.854 0.646 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001215455865 855117072 /nfs/dbraw/zinc/11/70/72/855117072.db2.gz HHKXSXISJWXOOK-BZTDXJTPSA-N 2 2 353.854 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC001216065573 855168070 /nfs/dbraw/zinc/16/80/70/855168070.db2.gz RPMAMGYAOKCVRQ-TZMCWYRMSA-N 2 2 361.471 0.767 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001216490411 855206939 /nfs/dbraw/zinc/20/69/39/855206939.db2.gz BVENOXRJOSXBFJ-ZIAGYGMSSA-N 2 2 352.483 0.804 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001216490411 855206946 /nfs/dbraw/zinc/20/69/46/855206946.db2.gz BVENOXRJOSXBFJ-ZIAGYGMSSA-N 2 2 352.483 0.804 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306541 855414498 /nfs/dbraw/zinc/41/44/98/855414498.db2.gz NSMIXUQFCNLZKE-DLBZAZTESA-N 2 2 350.463 0.920 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306541 855414499 /nfs/dbraw/zinc/41/44/99/855414499.db2.gz NSMIXUQFCNLZKE-DLBZAZTESA-N 2 2 350.463 0.920 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581463 855443594 /nfs/dbraw/zinc/44/35/94/855443594.db2.gz GMPYKVVQDJYTMW-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581463 855443598 /nfs/dbraw/zinc/44/35/98/855443598.db2.gz GMPYKVVQDJYTMW-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncnc2[nH]cc(Br)c21 ZINC001218615047 855450600 /nfs/dbraw/zinc/45/06/00/855450600.db2.gz KIKXGEUDAXHDAQ-VIFPVBQESA-N 2 2 364.207 0.962 20 0 FCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(I)c2nccn2c1 ZINC001218675393 855461577 /nfs/dbraw/zinc/46/15/77/855461577.db2.gz PYLZBDRCVJAMTO-VIFPVBQESA-N 2 2 359.171 0.554 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001218797126 855480215 /nfs/dbraw/zinc/48/02/15/855480215.db2.gz CYLGDRJMBIUTGZ-FTJNGKRUSA-N 2 2 365.459 0.873 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2)C[C@@H](C)O1 ZINC001218822957 855483333 /nfs/dbraw/zinc/48/33/33/855483333.db2.gz RDBRQNLIAYANMV-JMSVASOKSA-N 2 2 370.475 0.099 20 0 FCADLP CC(C)(C)N(C(=O)C[NH2+]C1CC[NH2+]CC1)S(=O)(=O)c1cccc(N)c1 ZINC001218847879 855485673 /nfs/dbraw/zinc/48/56/73/855485673.db2.gz SPBIIFOZZFJSQG-UHFFFAOYSA-N 2 2 368.503 0.926 20 0 FCADLP Nc1ccc(S(=O)(=O)N(C(=O)[C@H]([NH3+])CCC[NH3+])c2ccccn2)cc1 ZINC001218864896 855487380 /nfs/dbraw/zinc/48/73/80/855487380.db2.gz ZKBFCAHNEQXVME-CQSZACIVSA-N 2 2 363.443 0.452 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001021 855508254 /nfs/dbraw/zinc/50/82/54/855508254.db2.gz LGHPLURNOKWNTB-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001021 855508257 /nfs/dbraw/zinc/50/82/57/855508257.db2.gz LGHPLURNOKWNTB-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(C)C)C[C@@H]21 ZINC001219033911 855518493 /nfs/dbraw/zinc/51/84/93/855518493.db2.gz YWNIICWWJOOHMH-DLBZAZTESA-N 2 2 350.463 0.776 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(C)C)C[C@@H]21 ZINC001219033911 855518497 /nfs/dbraw/zinc/51/84/97/855518497.db2.gz YWNIICWWJOOHMH-DLBZAZTESA-N 2 2 350.463 0.776 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001219033186 855519323 /nfs/dbraw/zinc/51/93/23/855519323.db2.gz BXYFEIAYRBQHRE-ZWKOTPCHSA-N 2 2 351.491 0.811 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001219033186 855519328 /nfs/dbraw/zinc/51/93/28/855519328.db2.gz BXYFEIAYRBQHRE-ZWKOTPCHSA-N 2 2 351.491 0.811 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219054457 855528747 /nfs/dbraw/zinc/52/87/47/855528747.db2.gz CORCVSSJPSEXMH-JKSUJKDBSA-N 2 2 369.897 0.788 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219054457 855528751 /nfs/dbraw/zinc/52/87/51/855528751.db2.gz CORCVSSJPSEXMH-JKSUJKDBSA-N 2 2 369.897 0.788 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219054457 855528757 /nfs/dbraw/zinc/52/87/57/855528757.db2.gz CORCVSSJPSEXMH-JKSUJKDBSA-N 2 2 369.897 0.788 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219054457 855528759 /nfs/dbraw/zinc/52/87/59/855528759.db2.gz CORCVSSJPSEXMH-JKSUJKDBSA-N 2 2 369.897 0.788 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054542 855528931 /nfs/dbraw/zinc/52/89/31/855528931.db2.gz GEEVLWLWLPSJPQ-HRCADAONSA-N 2 2 354.495 0.282 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219054542 855528935 /nfs/dbraw/zinc/52/89/35/855528935.db2.gz GEEVLWLWLPSJPQ-HRCADAONSA-N 2 2 354.495 0.282 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054542 855528941 /nfs/dbraw/zinc/52/89/41/855528941.db2.gz GEEVLWLWLPSJPQ-HRCADAONSA-N 2 2 354.495 0.282 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054542 855528946 /nfs/dbraw/zinc/52/89/46/855528946.db2.gz GEEVLWLWLPSJPQ-HRCADAONSA-N 2 2 354.495 0.282 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(F)c(S(C)(=O)=O)cc1F ZINC001219446509 855673868 /nfs/dbraw/zinc/67/38/68/855673868.db2.gz OMRFRXZCNZLWMK-NSHDSACASA-N 2 2 358.370 0.610 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219551046 855710774 /nfs/dbraw/zinc/71/07/74/855710774.db2.gz PDLLUMUERFPDGB-PMPSAXMXSA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001219551046 855710775 /nfs/dbraw/zinc/71/07/75/855710775.db2.gz PDLLUMUERFPDGB-PMPSAXMXSA-N 2 2 350.463 0.445 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663331 855759994 /nfs/dbraw/zinc/75/99/94/855759994.db2.gz YLPGQZQEEJKYBB-CVEARBPZSA-N 2 2 350.463 0.350 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663331 855760001 /nfs/dbraw/zinc/76/00/01/855760001.db2.gz YLPGQZQEEJKYBB-CVEARBPZSA-N 2 2 350.463 0.350 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219726292 855788052 /nfs/dbraw/zinc/78/80/52/855788052.db2.gz WPUBCNHUWWOMAO-YUELXQCFSA-N 2 2 355.504 0.746 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001219726292 855788057 /nfs/dbraw/zinc/78/80/57/855788057.db2.gz WPUBCNHUWWOMAO-YUELXQCFSA-N 2 2 355.504 0.746 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1O ZINC001219732063 855790126 /nfs/dbraw/zinc/79/01/26/855790126.db2.gz NTQPPFXJHMGSKI-BBWFWOEESA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1O ZINC001219732063 855790129 /nfs/dbraw/zinc/79/01/29/855790129.db2.gz NTQPPFXJHMGSKI-BBWFWOEESA-N 2 2 352.454 0.731 20 0 FCADLP CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800731 855819765 /nfs/dbraw/zinc/81/97/65/855819765.db2.gz VLEXMDOQEKIQPY-IKGGRYGDSA-N 2 2 351.495 0.411 20 0 FCADLP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800731 855819773 /nfs/dbraw/zinc/81/97/73/855819773.db2.gz VLEXMDOQEKIQPY-IKGGRYGDSA-N 2 2 351.495 0.411 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CC1 ZINC001219804441 855823572 /nfs/dbraw/zinc/82/35/72/855823572.db2.gz WHDXDNADPISYCZ-QLFBSQMISA-N 2 2 355.870 0.038 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)C1CC1 ZINC001219804441 855823583 /nfs/dbraw/zinc/82/35/83/855823583.db2.gz WHDXDNADPISYCZ-QLFBSQMISA-N 2 2 355.870 0.038 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219826408 855834054 /nfs/dbraw/zinc/83/40/54/855834054.db2.gz VKTAMPSGYCGVKB-UAGQMJEPSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219826408 855834056 /nfs/dbraw/zinc/83/40/56/855834056.db2.gz VKTAMPSGYCGVKB-UAGQMJEPSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219826408 855834058 /nfs/dbraw/zinc/83/40/58/855834058.db2.gz VKTAMPSGYCGVKB-UAGQMJEPSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219826408 855834059 /nfs/dbraw/zinc/83/40/59/855834059.db2.gz VKTAMPSGYCGVKB-UAGQMJEPSA-N 2 2 350.463 0.827 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001219869452 855854483 /nfs/dbraw/zinc/85/44/83/855854483.db2.gz MOMZHDAUESKFJB-OAGGEKHMSA-N 2 2 353.438 0.706 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001219869452 855854489 /nfs/dbraw/zinc/85/44/89/855854489.db2.gz MOMZHDAUESKFJB-OAGGEKHMSA-N 2 2 353.438 0.706 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001219876083 855857426 /nfs/dbraw/zinc/85/74/26/855857426.db2.gz SWWCDZHTZWKLLY-OAGGEKHMSA-N 2 2 351.495 0.640 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)[NH+](C)C ZINC001219876083 855857429 /nfs/dbraw/zinc/85/74/29/855857429.db2.gz SWWCDZHTZWKLLY-OAGGEKHMSA-N 2 2 351.495 0.640 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(Br)cn(C)c1=O ZINC001219881556 855859923 /nfs/dbraw/zinc/85/99/23/855859923.db2.gz ZLCQZKIPXVJLFU-JTQLQIEISA-N 2 2 354.208 0.390 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001219949874 855893185 /nfs/dbraw/zinc/89/31/85/855893185.db2.gz YKPLEXNXOVDDKI-KGLIPLIRSA-N 2 2 354.357 0.391 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001219949874 855893193 /nfs/dbraw/zinc/89/31/93/855893193.db2.gz YKPLEXNXOVDDKI-KGLIPLIRSA-N 2 2 354.357 0.391 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001220009116 855917075 /nfs/dbraw/zinc/91/70/75/855917075.db2.gz XOCVPZBIBUTHSP-KGLIPLIRSA-N 2 2 354.357 0.391 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001220009116 855917079 /nfs/dbraw/zinc/91/70/79/855917079.db2.gz XOCVPZBIBUTHSP-KGLIPLIRSA-N 2 2 354.357 0.391 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220232443 856024204 /nfs/dbraw/zinc/02/42/04/856024204.db2.gz WNWRFIUKEUSMAM-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220232443 856024206 /nfs/dbraw/zinc/02/42/06/856024206.db2.gz WNWRFIUKEUSMAM-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297222 856050508 /nfs/dbraw/zinc/05/05/08/856050508.db2.gz QDXWXWOMSFVTFS-IXDOHACOSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297222 856050515 /nfs/dbraw/zinc/05/05/15/856050515.db2.gz QDXWXWOMSFVTFS-IXDOHACOSA-N 2 2 352.479 0.793 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001220297330 856051377 /nfs/dbraw/zinc/05/13/77/856051377.db2.gz WCVWATINHDVHDC-HLLBOEOZSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001220297330 856051381 /nfs/dbraw/zinc/05/13/81/856051381.db2.gz WCVWATINHDVHDC-HLLBOEOZSA-N 2 2 350.463 0.338 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O)[NH+](C)C ZINC001220378018 856095889 /nfs/dbraw/zinc/09/58/89/856095889.db2.gz XRDIJPHPWJIJRZ-TWMKSMIVSA-N 2 2 369.893 0.875 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O)[NH+](C)C ZINC001220378018 856095895 /nfs/dbraw/zinc/09/58/95/856095895.db2.gz XRDIJPHPWJIJRZ-TWMKSMIVSA-N 2 2 369.893 0.875 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220439313 856125867 /nfs/dbraw/zinc/12/58/67/856125867.db2.gz SJEUYRYBWWQDDH-OIISXLGYSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220439313 856125875 /nfs/dbraw/zinc/12/58/75/856125875.db2.gz SJEUYRYBWWQDDH-OIISXLGYSA-N 2 2 350.463 0.812 20 0 FCADLP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC001220605718 856203394 /nfs/dbraw/zinc/20/33/94/856203394.db2.gz WLXGYSPTUZOLOF-QWHCGFSZSA-N 3 2 352.236 0.858 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)n1 ZINC001220682982 856240470 /nfs/dbraw/zinc/24/04/70/856240470.db2.gz JTHRCKHXQNHWRY-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)n1 ZINC001220682982 856240479 /nfs/dbraw/zinc/24/04/79/856240479.db2.gz JTHRCKHXQNHWRY-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C2)n1 ZINC001220682982 856240489 /nfs/dbraw/zinc/24/04/89/856240489.db2.gz JTHRCKHXQNHWRY-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C2)n1 ZINC001220682982 856240499 /nfs/dbraw/zinc/24/04/99/856240499.db2.gz JTHRCKHXQNHWRY-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001220768769 856291201 /nfs/dbraw/zinc/29/12/01/856291201.db2.gz AWLRTTXPKFFSQE-UTUOFQBUSA-N 2 2 362.352 0.551 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807005 856310472 /nfs/dbraw/zinc/31/04/72/856310472.db2.gz OZWHAQQAQOAFHY-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807005 856310479 /nfs/dbraw/zinc/31/04/79/856310479.db2.gz OZWHAQQAQOAFHY-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822425 856322598 /nfs/dbraw/zinc/32/25/98/856322598.db2.gz YBIYHHWSUUSUIX-ZACQAIPSSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822425 856322609 /nfs/dbraw/zinc/32/26/09/856322609.db2.gz YBIYHHWSUUSUIX-ZACQAIPSSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822425 856322621 /nfs/dbraw/zinc/32/26/21/856322621.db2.gz YBIYHHWSUUSUIX-ZACQAIPSSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001220822425 856322636 /nfs/dbraw/zinc/32/26/36/856322636.db2.gz YBIYHHWSUUSUIX-ZACQAIPSSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220830535 856327445 /nfs/dbraw/zinc/32/74/45/856327445.db2.gz ASHABPMSVUVXJM-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220830535 856327462 /nfs/dbraw/zinc/32/74/62/856327462.db2.gz ASHABPMSVUVXJM-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220830535 856327465 /nfs/dbraw/zinc/32/74/65/856327465.db2.gz ASHABPMSVUVXJM-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220830535 856327477 /nfs/dbraw/zinc/32/74/77/856327477.db2.gz ASHABPMSVUVXJM-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP [NH3+]C[C@H](O)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001220917319 856373033 /nfs/dbraw/zinc/37/30/33/856373033.db2.gz VUYVKEKQTUDXIG-UONOGXRCSA-N 2 2 356.264 0.849 20 0 FCADLP [NH3+]C[C@H](O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001220917319 856373036 /nfs/dbraw/zinc/37/30/36/856373036.db2.gz VUYVKEKQTUDXIG-UONOGXRCSA-N 2 2 356.264 0.849 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[NH2+]C[C@H]1O ZINC001220919210 856374256 /nfs/dbraw/zinc/37/42/56/856374256.db2.gz YEWLUOVMQNYLIA-SOUVJXGZSA-N 2 2 368.275 0.720 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[NH2+]C[C@H]1O ZINC001220919210 856374266 /nfs/dbraw/zinc/37/42/66/856374266.db2.gz YEWLUOVMQNYLIA-SOUVJXGZSA-N 2 2 368.275 0.720 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)sn1 ZINC001220986303 856408874 /nfs/dbraw/zinc/40/88/74/856408874.db2.gz ZOYXQHKBMNWXHL-WQVCFCJDSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)sn1 ZINC001220986303 856408876 /nfs/dbraw/zinc/40/88/76/856408876.db2.gz ZOYXQHKBMNWXHL-WQVCFCJDSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001221073367 856449602 /nfs/dbraw/zinc/44/96/02/856449602.db2.gz SNMRMUHGENIMKC-CVEARBPZSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001221073367 856449609 /nfs/dbraw/zinc/44/96/09/856449609.db2.gz SNMRMUHGENIMKC-CVEARBPZSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091449 856457722 /nfs/dbraw/zinc/45/77/22/856457722.db2.gz OQERXKZCFIUZFK-SJORKVTESA-N 2 2 351.495 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091449 856457729 /nfs/dbraw/zinc/45/77/29/856457729.db2.gz OQERXKZCFIUZFK-SJORKVTESA-N 2 2 351.495 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091449 856457734 /nfs/dbraw/zinc/45/77/34/856457734.db2.gz OQERXKZCFIUZFK-SJORKVTESA-N 2 2 351.495 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091449 856457739 /nfs/dbraw/zinc/45/77/39/856457739.db2.gz OQERXKZCFIUZFK-SJORKVTESA-N 2 2 351.495 0.774 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001221091084 856458042 /nfs/dbraw/zinc/45/80/42/856458042.db2.gz AZQUHQQFVUYBDS-CVEARBPZSA-N 2 2 353.438 0.706 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001221091084 856458048 /nfs/dbraw/zinc/45/80/48/856458048.db2.gz AZQUHQQFVUYBDS-CVEARBPZSA-N 2 2 353.438 0.706 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001221091084 856458051 /nfs/dbraw/zinc/45/80/51/856458051.db2.gz AZQUHQQFVUYBDS-CVEARBPZSA-N 2 2 353.438 0.706 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001221091084 856458053 /nfs/dbraw/zinc/45/80/53/856458053.db2.gz AZQUHQQFVUYBDS-CVEARBPZSA-N 2 2 353.438 0.706 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001221136008 856477713 /nfs/dbraw/zinc/47/77/13/856477713.db2.gz ILQDQPSTMJPZTQ-ZDUSSCGKSA-N 2 2 363.853 0.286 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595108 856620384 /nfs/dbraw/zinc/62/03/84/856620384.db2.gz SWJURECBIFUDPN-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595108 856620391 /nfs/dbraw/zinc/62/03/91/856620391.db2.gz SWJURECBIFUDPN-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595108 856620395 /nfs/dbraw/zinc/62/03/95/856620395.db2.gz SWJURECBIFUDPN-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC)C[C@H]21 ZINC001221595108 856620400 /nfs/dbraw/zinc/62/04/00/856620400.db2.gz SWJURECBIFUDPN-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620616 856626502 /nfs/dbraw/zinc/62/65/02/856626502.db2.gz OLAOHIANFBADJI-NVXWUHKLSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620616 856626505 /nfs/dbraw/zinc/62/65/05/856626505.db2.gz OLAOHIANFBADJI-NVXWUHKLSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620616 856626506 /nfs/dbraw/zinc/62/65/06/856626506.db2.gz OLAOHIANFBADJI-NVXWUHKLSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620616 856626508 /nfs/dbraw/zinc/62/65/08/856626508.db2.gz OLAOHIANFBADJI-NVXWUHKLSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656978 856642069 /nfs/dbraw/zinc/64/20/69/856642069.db2.gz DFNDDGYUVICJNM-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656978 856642073 /nfs/dbraw/zinc/64/20/73/856642073.db2.gz DFNDDGYUVICJNM-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656978 856642078 /nfs/dbraw/zinc/64/20/78/856642078.db2.gz DFNDDGYUVICJNM-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656978 856642084 /nfs/dbraw/zinc/64/20/84/856642084.db2.gz DFNDDGYUVICJNM-ARFHVFGLSA-N 2 2 371.547 0.684 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656979 856642571 /nfs/dbraw/zinc/64/25/71/856642571.db2.gz DFNDDGYUVICJNM-BZUAXINKSA-N 2 2 371.547 0.684 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656979 856642580 /nfs/dbraw/zinc/64/25/80/856642580.db2.gz DFNDDGYUVICJNM-BZUAXINKSA-N 2 2 371.547 0.684 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656979 856642585 /nfs/dbraw/zinc/64/25/85/856642585.db2.gz DFNDDGYUVICJNM-BZUAXINKSA-N 2 2 371.547 0.684 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221656979 856642593 /nfs/dbraw/zinc/64/25/93/856642593.db2.gz DFNDDGYUVICJNM-BZUAXINKSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813333 856695819 /nfs/dbraw/zinc/69/58/19/856695819.db2.gz GNNXRDIRTMXYLD-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813333 856695827 /nfs/dbraw/zinc/69/58/27/856695827.db2.gz GNNXRDIRTMXYLD-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813333 856695833 /nfs/dbraw/zinc/69/58/33/856695833.db2.gz GNNXRDIRTMXYLD-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813333 856695840 /nfs/dbraw/zinc/69/58/40/856695840.db2.gz GNNXRDIRTMXYLD-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1)C1CC1 ZINC001221883489 856721763 /nfs/dbraw/zinc/72/17/63/856721763.db2.gz IAIZNVSIGRDCKX-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1)C1CC1 ZINC001221883489 856721769 /nfs/dbraw/zinc/72/17/69/856721769.db2.gz IAIZNVSIGRDCKX-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945225 856743297 /nfs/dbraw/zinc/74/32/97/856743297.db2.gz JLRYHMRTMFJPMN-GVDBMIGSSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945225 856743302 /nfs/dbraw/zinc/74/33/02/856743302.db2.gz JLRYHMRTMFJPMN-GVDBMIGSSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945225 856743305 /nfs/dbraw/zinc/74/33/05/856743305.db2.gz JLRYHMRTMFJPMN-GVDBMIGSSA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945225 856743311 /nfs/dbraw/zinc/74/33/11/856743311.db2.gz JLRYHMRTMFJPMN-GVDBMIGSSA-N 2 2 350.507 0.633 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221968430 856752991 /nfs/dbraw/zinc/75/29/91/856752991.db2.gz NUWJXDHKXFFUHE-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221968430 856752999 /nfs/dbraw/zinc/75/29/99/856752999.db2.gz NUWJXDHKXFFUHE-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221968430 856753008 /nfs/dbraw/zinc/75/30/08/856753008.db2.gz NUWJXDHKXFFUHE-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221968430 856753013 /nfs/dbraw/zinc/75/30/13/856753013.db2.gz NUWJXDHKXFFUHE-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034890 856780434 /nfs/dbraw/zinc/78/04/34/856780434.db2.gz NHKVJSKKXRAMOE-KFWWJZLASA-N 2 2 361.433 0.522 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034890 856780443 /nfs/dbraw/zinc/78/04/43/856780443.db2.gz NHKVJSKKXRAMOE-KFWWJZLASA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034890 856780448 /nfs/dbraw/zinc/78/04/48/856780448.db2.gz NHKVJSKKXRAMOE-KFWWJZLASA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001222034890 856780452 /nfs/dbraw/zinc/78/04/52/856780452.db2.gz NHKVJSKKXRAMOE-KFWWJZLASA-N 2 2 361.433 0.522 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222051516 856785446 /nfs/dbraw/zinc/78/54/46/856785446.db2.gz YZSCLXYFBYEWRW-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222051516 856785450 /nfs/dbraw/zinc/78/54/50/856785450.db2.gz YZSCLXYFBYEWRW-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001222051516 856785453 /nfs/dbraw/zinc/78/54/53/856785453.db2.gz YZSCLXYFBYEWRW-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001222051516 856785459 /nfs/dbraw/zinc/78/54/59/856785459.db2.gz YZSCLXYFBYEWRW-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053677 856787936 /nfs/dbraw/zinc/78/79/36/856787936.db2.gz XNOLJAKPXOXBRK-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053677 856787943 /nfs/dbraw/zinc/78/79/43/856787943.db2.gz XNOLJAKPXOXBRK-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053677 856787946 /nfs/dbraw/zinc/78/79/46/856787946.db2.gz XNOLJAKPXOXBRK-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053677 856787952 /nfs/dbraw/zinc/78/79/52/856787952.db2.gz XNOLJAKPXOXBRK-GVDBMIGSSA-N 2 2 371.547 0.684 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)s2)CC1 ZINC001222497448 856846602 /nfs/dbraw/zinc/84/66/02/856846602.db2.gz KFWQJNRBAVUYCQ-HOTGVXAUSA-N 3 2 350.536 0.421 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1)n1cc[nH+]c1 ZINC001223579667 856927051 /nfs/dbraw/zinc/92/70/51/856927051.db2.gz GWGFSMRHOVHKMD-BBWFWOEESA-N 2 2 350.463 0.766 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1)n1cc[nH+]c1 ZINC001223579667 856927060 /nfs/dbraw/zinc/92/70/60/856927060.db2.gz GWGFSMRHOVHKMD-BBWFWOEESA-N 2 2 350.463 0.766 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001226697477 857122145 /nfs/dbraw/zinc/12/21/45/857122145.db2.gz WROYFYFLAPECFD-NUEKZKHPSA-N 2 2 368.503 0.794 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001226697477 857122148 /nfs/dbraw/zinc/12/21/48/857122148.db2.gz WROYFYFLAPECFD-NUEKZKHPSA-N 2 2 368.503 0.794 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019295 857137502 /nfs/dbraw/zinc/13/75/02/857137502.db2.gz MAWIOQFTDWLZHD-ARFHVFGLSA-N 2 2 352.479 0.951 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954883 857186342 /nfs/dbraw/zinc/18/63/42/857186342.db2.gz ZPNLUMCLGCWHOV-GDBMZVCRSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954883 857186347 /nfs/dbraw/zinc/18/63/47/857186347.db2.gz ZPNLUMCLGCWHOV-GDBMZVCRSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)CS(C)(=O)=O ZINC001228801002 857230220 /nfs/dbraw/zinc/23/02/20/857230220.db2.gz UJTHDAAVFQXUMD-NWANDNLSSA-N 2 2 356.492 0.650 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)n1 ZINC001229141740 857252644 /nfs/dbraw/zinc/25/26/44/857252644.db2.gz KAFNCGIRPNXMFP-HZPDHXFCSA-N 2 2 350.467 0.054 20 0 FCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700436 857363411 /nfs/dbraw/zinc/36/34/11/857363411.db2.gz WSHOYCPDBFPNBW-QGZVFWFLSA-N 2 2 352.435 0.449 20 0 FCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700436 857363413 /nfs/dbraw/zinc/36/34/13/857363413.db2.gz WSHOYCPDBFPNBW-QGZVFWFLSA-N 2 2 352.435 0.449 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700436 857363417 /nfs/dbraw/zinc/36/34/17/857363417.db2.gz WSHOYCPDBFPNBW-QGZVFWFLSA-N 2 2 352.435 0.449 20 0 FCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001231700436 857363423 /nfs/dbraw/zinc/36/34/23/857363423.db2.gz WSHOYCPDBFPNBW-QGZVFWFLSA-N 2 2 352.435 0.449 20 0 FCADLP [NH3+][C@@H]1NC(CN2CCCn3cnc(C[NH2+]C4CCOCC4)c3C2)=CS1 ZINC001235653825 857430080 /nfs/dbraw/zinc/43/00/80/857430080.db2.gz UXPKMUXLLABERI-QGZVFWFLSA-N 2 2 364.519 0.778 20 0 FCADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC001238808172 857480301 /nfs/dbraw/zinc/48/03/01/857480301.db2.gz OTOUMOYEOCWDLK-ZDUSSCGKSA-N 2 2 362.293 0.902 20 0 FCADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC001238808172 857480304 /nfs/dbraw/zinc/48/03/04/857480304.db2.gz OTOUMOYEOCWDLK-ZDUSSCGKSA-N 2 2 362.293 0.902 20 0 FCADLP [NH3+]CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@H](COCc2ccccn2)C1 ZINC001239082396 857510424 /nfs/dbraw/zinc/51/04/24/857510424.db2.gz UHHVPUXFRZYVEJ-AWEZNQCLSA-N 2 2 365.459 0.215 20 0 FCADLP COC(=O)c1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)[C@H]2CC[NH2+]C2)c1 ZINC001239182806 857524281 /nfs/dbraw/zinc/52/42/81/857524281.db2.gz ROASDXBSPLWOLI-LSDHHAIUSA-N 2 2 353.444 0.111 20 0 FCADLP O=C(Nc1ccc(OC(F)F)cc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287188 857525611 /nfs/dbraw/zinc/52/56/11/857525611.db2.gz VUDQGJIWKFLNRP-UHFFFAOYSA-N 2 2 357.405 0.904 20 0 FCADLP CC(C)CNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001245213577 857554324 /nfs/dbraw/zinc/55/43/24/857554324.db2.gz IDKYBPNPVAYMDE-UHFFFAOYSA-N 2 2 369.579 0.687 20 0 FCADLP CC(C)CNC(=S)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001245213577 857554332 /nfs/dbraw/zinc/55/43/32/857554332.db2.gz IDKYBPNPVAYMDE-UHFFFAOYSA-N 2 2 369.579 0.687 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC001246102232 857569566 /nfs/dbraw/zinc/56/95/66/857569566.db2.gz SHFTVGGTWGCBLJ-QZTJIDSGSA-N 3 2 366.531 0.174 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751427 857598902 /nfs/dbraw/zinc/59/89/02/857598902.db2.gz PIGFBOIPNIBTBK-IRXDYDNUSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC[NH2+]1 ZINC001246751427 857598906 /nfs/dbraw/zinc/59/89/06/857598906.db2.gz PIGFBOIPNIBTBK-IRXDYDNUSA-N 3 2 352.523 0.630 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517079 862932232 /nfs/dbraw/zinc/93/22/32/862932232.db2.gz HQSOYAMYDHZUQP-WMZOPIPTSA-N 2 2 350.463 0.859 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517079 862932238 /nfs/dbraw/zinc/93/22/38/862932238.db2.gz HQSOYAMYDHZUQP-WMZOPIPTSA-N 2 2 350.463 0.859 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001253184098 857869522 /nfs/dbraw/zinc/86/95/22/857869522.db2.gz BIDHTMJMPGXDHQ-MLHJIOFPSA-N 2 2 353.507 0.695 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001253184098 857869529 /nfs/dbraw/zinc/86/95/29/857869529.db2.gz BIDHTMJMPGXDHQ-MLHJIOFPSA-N 2 2 353.507 0.695 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001253184613 857869637 /nfs/dbraw/zinc/86/96/37/857869637.db2.gz HGMHSAGGEKEEOY-VSZNYVQBSA-N 2 2 353.507 0.695 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001253184613 857869641 /nfs/dbraw/zinc/86/96/41/857869641.db2.gz HGMHSAGGEKEEOY-VSZNYVQBSA-N 2 2 353.507 0.695 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(Cc2ccccn2)CCS(=O)(=O)CC1 ZINC001253211855 857872882 /nfs/dbraw/zinc/87/28/82/857872882.db2.gz BKTYZUORDHTZOW-KRWDZBQOSA-N 2 2 369.531 0.864 20 0 FCADLP O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001254314279 857953286 /nfs/dbraw/zinc/95/32/86/857953286.db2.gz SSLMGSCNURZTCG-MRXNPFEDSA-N 2 2 354.472 0.674 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516846 857975623 /nfs/dbraw/zinc/97/56/23/857975623.db2.gz CDCSMLRBQCHUMM-FGTMMUONSA-N 3 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516846 857975632 /nfs/dbraw/zinc/97/56/32/857975632.db2.gz CDCSMLRBQCHUMM-FGTMMUONSA-N 3 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516846 857975636 /nfs/dbraw/zinc/97/56/36/857975636.db2.gz CDCSMLRBQCHUMM-FGTMMUONSA-N 3 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCC[NH+](C)CC3)CC[C@@H]2C1 ZINC001254516846 857975645 /nfs/dbraw/zinc/97/56/45/857975645.db2.gz CDCSMLRBQCHUMM-FGTMMUONSA-N 3 2 352.523 0.582 20 0 FCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255977952 858044771 /nfs/dbraw/zinc/04/47/71/858044771.db2.gz UIHINFDAHVWGBL-UHFFFAOYSA-N 2 2 361.368 0.616 20 0 FCADLP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001256205453 858057425 /nfs/dbraw/zinc/05/74/25/858057425.db2.gz SQWXDXPFAQZQOR-UHFFFAOYSA-N 3 2 351.539 0.251 20 0 FCADLP COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[N@@H+]3CC2CC[NH2+]CC2)CCC1 ZINC001279616128 862982267 /nfs/dbraw/zinc/98/22/67/862982267.db2.gz VPXMRUCJCVOGBA-CALCHBBNSA-N 2 2 351.491 0.857 20 0 FCADLP COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[N@H+]3CC2CC[NH2+]CC2)CCC1 ZINC001279616128 862982274 /nfs/dbraw/zinc/98/22/74/862982274.db2.gz VPXMRUCJCVOGBA-CALCHBBNSA-N 2 2 351.491 0.857 20 0 FCADLP CS(=O)(=O)N1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])CC1 ZINC001257229573 858127867 /nfs/dbraw/zinc/12/78/67/858127867.db2.gz JNAMGEOZSGJOEQ-IRXDYDNUSA-N 2 2 352.504 0.212 20 0 FCADLP CS(=O)(=O)N1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001257235235 858129579 /nfs/dbraw/zinc/12/95/79/858129579.db2.gz VNCQSVHTZLFHGH-IYBDPMFKSA-N 2 2 364.515 0.869 20 0 FCADLP CS(=O)(=O)N1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001257235235 858129582 /nfs/dbraw/zinc/12/95/82/858129582.db2.gz VNCQSVHTZLFHGH-IYBDPMFKSA-N 2 2 364.515 0.869 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001257235235 858129584 /nfs/dbraw/zinc/12/95/84/858129584.db2.gz VNCQSVHTZLFHGH-IYBDPMFKSA-N 2 2 364.515 0.869 20 0 FCADLP CS(=O)(=O)N1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001257235235 858129588 /nfs/dbraw/zinc/12/95/88/858129588.db2.gz VNCQSVHTZLFHGH-IYBDPMFKSA-N 2 2 364.515 0.869 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001257235459 858129614 /nfs/dbraw/zinc/12/96/14/858129614.db2.gz ADZNPMKXOPWMJN-UHFFFAOYSA-N 2 2 372.535 0.087 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001257235459 858129616 /nfs/dbraw/zinc/12/96/16/858129616.db2.gz ADZNPMKXOPWMJN-UHFFFAOYSA-N 2 2 372.535 0.087 20 0 FCADLP Cc1cc(N2CC[NH+](C3CCN(S(C)(=O)=O)CC3)CC2)nc(C)[nH+]1 ZINC001257239646 858132263 /nfs/dbraw/zinc/13/22/63/858132263.db2.gz XURYZRXCNJNMSL-UHFFFAOYSA-N 2 2 353.492 0.639 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2nnc(CCCN3CC[NH+](C)CC3)o2)C[C@H](C)O1 ZINC001258081055 858176378 /nfs/dbraw/zinc/17/63/78/858176378.db2.gz NVVMHYUCZUYEJH-IYBDPMFKSA-N 2 2 351.495 0.901 20 0 FCADLP C[C@@H]1C[N@H+](CCc2nnc(CCCN3CC[NH+](C)CC3)o2)C[C@H](C)O1 ZINC001258081055 858176387 /nfs/dbraw/zinc/17/63/87/858176387.db2.gz NVVMHYUCZUYEJH-IYBDPMFKSA-N 2 2 351.495 0.901 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H](F)C3)C2)CC1 ZINC001261467344 858557973 /nfs/dbraw/zinc/55/79/73/858557973.db2.gz GNFUJVJCJGYNCJ-ZNMIVQPWSA-N 2 2 354.470 0.668 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H](F)C3)C2)CC1 ZINC001261467344 858557974 /nfs/dbraw/zinc/55/79/74/858557974.db2.gz GNFUJVJCJGYNCJ-ZNMIVQPWSA-N 2 2 354.470 0.668 20 0 FCADLP COC1(OC)CC(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001263085071 859095513 /nfs/dbraw/zinc/09/55/13/859095513.db2.gz OFVCXGVKZXMOII-HNNXBMFYSA-N 2 2 354.495 0.853 20 0 FCADLP COC1(OC)CC(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001263085071 859095521 /nfs/dbraw/zinc/09/55/21/859095521.db2.gz OFVCXGVKZXMOII-HNNXBMFYSA-N 2 2 354.495 0.853 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001273215766 860411920 /nfs/dbraw/zinc/41/19/20/860411920.db2.gz BSSQVKJTJMXQJI-INIZCTEOSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001273215766 860411927 /nfs/dbraw/zinc/41/19/27/860411927.db2.gz BSSQVKJTJMXQJI-INIZCTEOSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001273215766 860411933 /nfs/dbraw/zinc/41/19/33/860411933.db2.gz BSSQVKJTJMXQJI-INIZCTEOSA-N 2 2 355.479 0.252 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001273215766 860411935 /nfs/dbraw/zinc/41/19/35/860411935.db2.gz BSSQVKJTJMXQJI-INIZCTEOSA-N 2 2 355.479 0.252 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273254150 860428217 /nfs/dbraw/zinc/42/82/17/860428217.db2.gz ILMAPGMBUARISR-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273254150 860428223 /nfs/dbraw/zinc/42/82/23/860428223.db2.gz ILMAPGMBUARISR-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP Cc1ncsc1C[NH+]1CC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274204131 860706532 /nfs/dbraw/zinc/70/65/32/860706532.db2.gz RQJAVWBYXUCQSE-UHFFFAOYSA-N 2 2 350.488 0.552 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)CC1 ZINC001274513388 860767788 /nfs/dbraw/zinc/76/77/88/860767788.db2.gz BNDZBVLPUCKCOO-ZWKOTPCHSA-N 2 2 351.539 0.108 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001274909036 860869694 /nfs/dbraw/zinc/86/96/94/860869694.db2.gz SNYZYUORGVPGEX-QPSCCSFWSA-N 2 2 350.488 0.549 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001274909036 860869697 /nfs/dbraw/zinc/86/96/97/860869697.db2.gz SNYZYUORGVPGEX-QPSCCSFWSA-N 2 2 350.488 0.549 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001274909036 860869699 /nfs/dbraw/zinc/86/96/99/860869699.db2.gz SNYZYUORGVPGEX-QPSCCSFWSA-N 2 2 350.488 0.549 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)C2 ZINC001274909036 860869701 /nfs/dbraw/zinc/86/97/01/860869701.db2.gz SNYZYUORGVPGEX-QPSCCSFWSA-N 2 2 350.488 0.549 20 0 FCADLP CC[C@@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275068596 860929053 /nfs/dbraw/zinc/92/90/53/860929053.db2.gz ITAAQTBANHRWJG-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP C[C@@H]1C[C@@H]1C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275324336 861032223 /nfs/dbraw/zinc/03/22/23/861032223.db2.gz GBGQLCDOKXBHME-IAGOWNOFSA-N 2 2 350.507 0.193 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cncc(F)c1)C2 ZINC001275429910 861089941 /nfs/dbraw/zinc/08/99/41/861089941.db2.gz CUENXOVHYQIWBX-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cncc(F)c1)C2 ZINC001275429910 861089958 /nfs/dbraw/zinc/08/99/58/861089958.db2.gz CUENXOVHYQIWBX-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP COC(C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1)OC ZINC001275493696 861112069 /nfs/dbraw/zinc/11/20/69/861112069.db2.gz MZLBAFIEZOCIMM-QGZVFWFLSA-N 2 2 352.435 0.053 20 0 FCADLP COC(C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1)OC ZINC001275493696 861112076 /nfs/dbraw/zinc/11/20/76/861112076.db2.gz MZLBAFIEZOCIMM-QGZVFWFLSA-N 2 2 352.435 0.053 20 0 FCADLP c1cn(CCN2CCO[C@]3(CCC[N@H+](C[C@@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028639 863202891 /nfs/dbraw/zinc/20/28/91/863202891.db2.gz OAGXEBRRMVJEJC-QZTJIDSGSA-N 2 2 350.463 0.465 20 0 FCADLP c1cn(CCN2CCO[C@]3(CCC[N@@H+](C[C@@H]4COCCO4)C3)C2)c[nH+]1 ZINC001280028639 863202904 /nfs/dbraw/zinc/20/29/04/863202904.db2.gz OAGXEBRRMVJEJC-QZTJIDSGSA-N 2 2 350.463 0.465 20 0 FCADLP COC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053052 863221233 /nfs/dbraw/zinc/22/12/33/863221233.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 3 2 350.463 0.715 20 0 FCADLP COC[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053052 863221244 /nfs/dbraw/zinc/22/12/44/863221244.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 3 2 350.463 0.715 20 0 FCADLP COC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053052 863221260 /nfs/dbraw/zinc/22/12/60/863221260.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 3 2 350.463 0.715 20 0 FCADLP COC[C@@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053052 863221276 /nfs/dbraw/zinc/22/12/76/863221276.db2.gz LQFGKOQXXYYUIX-BBWFWOEESA-N 3 2 350.463 0.715 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280080215 863252177 /nfs/dbraw/zinc/25/21/77/863252177.db2.gz CXBFXXMLMOTUID-SQNIBIBYSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280080215 863252191 /nfs/dbraw/zinc/25/21/91/863252191.db2.gz CXBFXXMLMOTUID-SQNIBIBYSA-N 2 2 351.491 0.807 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC[NH+](C)C)C3)c1 ZINC001280224015 863348512 /nfs/dbraw/zinc/34/85/12/863348512.db2.gz JVWBCGPDVGZYLU-KRWDZBQOSA-N 2 2 369.535 0.848 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC[NH+](C)C)C3)c1 ZINC001280224015 863348521 /nfs/dbraw/zinc/34/85/21/863348521.db2.gz JVWBCGPDVGZYLU-KRWDZBQOSA-N 2 2 369.535 0.848 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)n1 ZINC001350040605 866496681 /nfs/dbraw/zinc/49/66/81/866496681.db2.gz HTVUSYUDULNEKW-UHFFFAOYSA-N 2 2 352.439 0.015 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)n1 ZINC001350040605 866496688 /nfs/dbraw/zinc/49/66/88/866496688.db2.gz HTVUSYUDULNEKW-UHFFFAOYSA-N 2 2 352.439 0.015 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001351786638 866967776 /nfs/dbraw/zinc/96/77/76/866967776.db2.gz GNCUKLCBYMIHFI-RYQLBKOJSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001351786638 866967796 /nfs/dbraw/zinc/96/77/96/866967796.db2.gz GNCUKLCBYMIHFI-RYQLBKOJSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC001352229421 867068748 /nfs/dbraw/zinc/06/87/48/867068748.db2.gz BTHBAVNRUHPXQK-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001311894186 867127608 /nfs/dbraw/zinc/12/76/08/867127608.db2.gz URKBMUHKCTYDMX-BRWVUGGUSA-N 3 2 355.527 0.088 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001311894186 867127621 /nfs/dbraw/zinc/12/76/21/867127621.db2.gz URKBMUHKCTYDMX-BRWVUGGUSA-N 3 2 355.527 0.088 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001353339428 867399943 /nfs/dbraw/zinc/39/99/43/867399943.db2.gz KANNCPZZJXTBAN-QGZVFWFLSA-N 2 2 372.535 0.423 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001316757207 867456766 /nfs/dbraw/zinc/45/67/66/867456766.db2.gz PXPSLZLZSGCYIP-KGLIPLIRSA-N 2 2 354.476 0.167 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001316757207 867456773 /nfs/dbraw/zinc/45/67/73/867456773.db2.gz PXPSLZLZSGCYIP-KGLIPLIRSA-N 2 2 354.476 0.167 20 0 FCADLP COC[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001316933251 867510786 /nfs/dbraw/zinc/51/07/86/867510786.db2.gz HQNYHRUAQQLPHP-BZUAXINKSA-N 2 2 350.463 0.454 20 0 FCADLP O=C(NCC[NH+]1CC=CC1)c1ccc(C(=O)NCC[NH+]2CC=CC2)s1 ZINC001318918353 867778078 /nfs/dbraw/zinc/77/80/78/867778078.db2.gz IMXIQQNZXWIART-UHFFFAOYSA-N 2 2 360.483 0.951 20 0 FCADLP COCCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001355707993 867845838 /nfs/dbraw/zinc/84/58/38/867845838.db2.gz FERCCJIEYMNFAV-GJZGRUSLSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001355707993 867845847 /nfs/dbraw/zinc/84/58/47/867845847.db2.gz FERCCJIEYMNFAV-GJZGRUSLSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001355707993 867845854 /nfs/dbraw/zinc/84/58/54/867845854.db2.gz FERCCJIEYMNFAV-GJZGRUSLSA-N 2 2 350.467 0.212 20 0 FCADLP COCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001355707993 867845857 /nfs/dbraw/zinc/84/58/57/867845857.db2.gz FERCCJIEYMNFAV-GJZGRUSLSA-N 2 2 350.467 0.212 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CN1CC[NH+]1CCOCC1 ZINC001356610967 868033729 /nfs/dbraw/zinc/03/37/29/868033729.db2.gz XTZVCOXTKPDFAK-IAGOWNOFSA-N 2 2 351.422 0.382 20 0 FCADLP C[C@@H](C(=O)NCc1ccco1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001319924941 868034551 /nfs/dbraw/zinc/03/45/51/868034551.db2.gz WDKSSIFHOMRWMS-HNNXBMFYSA-N 2 2 351.447 0.443 20 0 FCADLP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001357937999 868165133 /nfs/dbraw/zinc/16/51/33/868165133.db2.gz HNYQJVCYCNJVNU-GXFFZTMASA-N 2 2 358.236 0.562 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CCSCC1 ZINC001322069393 868725936 /nfs/dbraw/zinc/72/59/36/868725936.db2.gz MCUFNJHYCGLXBV-UHFFFAOYSA-N 2 2 356.536 0.483 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CCSCC1 ZINC001322069393 868725944 /nfs/dbraw/zinc/72/59/44/868725944.db2.gz MCUFNJHYCGLXBV-UHFFFAOYSA-N 2 2 356.536 0.483 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC(F)(F)C3)CC2)CC1 ZINC001322202269 868762785 /nfs/dbraw/zinc/76/27/85/868762785.db2.gz NSLWASJTOAMCEE-UHFFFAOYSA-N 2 2 358.433 0.529 20 0 FCADLP C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322802801 868951434 /nfs/dbraw/zinc/95/14/34/868951434.db2.gz RERAXFHPTPQDEZ-PVAVHDDUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322802801 868951440 /nfs/dbraw/zinc/95/14/40/868951440.db2.gz RERAXFHPTPQDEZ-PVAVHDDUSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC001323066084 869045628 /nfs/dbraw/zinc/04/56/28/869045628.db2.gz MKOMXPPDCGMAQH-UHFFFAOYSA-N 2 2 354.451 0.088 20 0 FCADLP CN(C(=O)C(=O)NCCC1(C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324132258 869482461 /nfs/dbraw/zinc/48/24/61/869482461.db2.gz ZTAWCARNCRNCPW-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)C(=O)NCCC1(C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324132258 869482470 /nfs/dbraw/zinc/48/24/70/869482470.db2.gz ZTAWCARNCRNCPW-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001324336202 869550823 /nfs/dbraw/zinc/55/08/23/869550823.db2.gz WYDREYHZCXCEIA-RRFJBIMHSA-N 2 2 350.463 0.502 20 0 FCADLP CCCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@H+](C)C1 ZINC001326284608 870241906 /nfs/dbraw/zinc/24/19/06/870241906.db2.gz WIIUMANCQHSQTC-MRXNPFEDSA-N 2 2 374.551 0.621 20 0 FCADLP CCCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC001326284608 870241918 /nfs/dbraw/zinc/24/19/18/870241918.db2.gz WIIUMANCQHSQTC-MRXNPFEDSA-N 2 2 374.551 0.621 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001326395282 870291452 /nfs/dbraw/zinc/29/14/52/870291452.db2.gz ZDENQLKCODIBHH-CYBMUJFWSA-N 2 2 363.443 0.633 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326551794 870379517 /nfs/dbraw/zinc/37/95/17/870379517.db2.gz LHOLFKZJIBVWFY-GDBMZVCRSA-N 2 2 354.470 0.574 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326551794 870379535 /nfs/dbraw/zinc/37/95/35/870379535.db2.gz LHOLFKZJIBVWFY-GDBMZVCRSA-N 2 2 354.470 0.574 20 0 FCADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001327958784 871155632 /nfs/dbraw/zinc/15/56/32/871155632.db2.gz ZOZHVBAJTCJRRC-AEFFLSMTSA-N 2 2 368.499 0.966 20 0 FCADLP C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345541163 871401159 /nfs/dbraw/zinc/40/11/59/871401159.db2.gz UDKFAEIJRIIGAV-PBHICJAKSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001328490202 871458552 /nfs/dbraw/zinc/45/85/52/871458552.db2.gz LBNDEFMWLGOFMP-OLZOCXBDSA-N 3 2 350.467 0.344 20 0 FCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001328490202 871458564 /nfs/dbraw/zinc/45/85/64/871458564.db2.gz LBNDEFMWLGOFMP-OLZOCXBDSA-N 3 2 350.467 0.344 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC001328614760 871543713 /nfs/dbraw/zinc/54/37/13/871543713.db2.gz HHFBIRDVADZTKB-SNVBAGLBSA-N 2 2 351.432 0.400 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001346110786 871650650 /nfs/dbraw/zinc/65/06/50/871650650.db2.gz UJYJADQTETVWKB-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@H](N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306192 871763721 /nfs/dbraw/zinc/76/37/21/871763721.db2.gz MMJUGBKCNLLSFR-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306192 871763731 /nfs/dbraw/zinc/76/37/31/871763731.db2.gz MMJUGBKCNLLSFR-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306181 871763909 /nfs/dbraw/zinc/76/39/09/871763909.db2.gz MMJUGBKCNLLSFR-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1(C)CC1 ZINC001346306181 871763919 /nfs/dbraw/zinc/76/39/19/871763919.db2.gz MMJUGBKCNLLSFR-GJZGRUSLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC(C)(C)C3)C2)CC1 ZINC001346304321 871764442 /nfs/dbraw/zinc/76/44/42/871764442.db2.gz HDKZBIDCXAVIRB-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC(C)(C)C3)C2)CC1 ZINC001346304321 871764456 /nfs/dbraw/zinc/76/44/56/871764456.db2.gz HDKZBIDCXAVIRB-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425404 871833773 /nfs/dbraw/zinc/83/37/73/871833773.db2.gz GCVRIVRYYIJARB-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425404 871833792 /nfs/dbraw/zinc/83/37/92/871833792.db2.gz GCVRIVRYYIJARB-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001347102576 872159808 /nfs/dbraw/zinc/15/98/08/872159808.db2.gz QENGMRBIGFAUJK-ZACQAIPSSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C[C@@H](C)O1 ZINC001348580125 872730688 /nfs/dbraw/zinc/73/06/88/872730688.db2.gz JCVVHMZPOQFWTF-DZVNLGKHSA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C[C@@H](C)O1 ZINC001348580125 872730689 /nfs/dbraw/zinc/73/06/89/872730689.db2.gz JCVVHMZPOQFWTF-DZVNLGKHSA-N 2 2 350.507 0.475 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001348662185 872754872 /nfs/dbraw/zinc/75/48/72/872754872.db2.gz AFXUVRHRANKQTB-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963636 873316442 /nfs/dbraw/zinc/31/64/42/873316442.db2.gz IFULMJRULWBULB-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963636 873316450 /nfs/dbraw/zinc/31/64/50/873316450.db2.gz IFULMJRULWBULB-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574920019 948881708 /nfs/dbraw/zinc/88/17/08/948881708.db2.gz AHIJNHGEWNUZAA-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574923419 948947607 /nfs/dbraw/zinc/94/76/07/948947607.db2.gz LYUGWXBCENWEEJ-CYBMUJFWSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574944901 949404385 /nfs/dbraw/zinc/40/43/85/949404385.db2.gz IJQKARWOWXVZBL-GFCCVEGCSA-N 2 2 354.418 0.437 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574946749 949439458 /nfs/dbraw/zinc/43/94/58/949439458.db2.gz XUEXWKHSFUFVMR-SNVBAGLBSA-N 2 2 358.381 0.566 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574731460 950054426 /nfs/dbraw/zinc/05/44/26/950054426.db2.gz FBCBSPOFFJKOLU-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574731957 950059210 /nfs/dbraw/zinc/05/92/10/950059210.db2.gz YSYYXJHJDSVZBT-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203728 950448090 /nfs/dbraw/zinc/44/80/90/950448090.db2.gz IVDKLTVVYBQDEE-UGSOOPFHSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203728 950448099 /nfs/dbraw/zinc/44/80/99/950448099.db2.gz IVDKLTVVYBQDEE-UGSOOPFHSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203722 950449036 /nfs/dbraw/zinc/44/90/36/950449036.db2.gz IVDKLTVVYBQDEE-ACJLOTCBSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203722 950449051 /nfs/dbraw/zinc/44/90/51/950449051.db2.gz IVDKLTVVYBQDEE-ACJLOTCBSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001571025759 951458259 /nfs/dbraw/zinc/45/82/59/951458259.db2.gz HTBGTWCKEMGNIG-IUODEOHRSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001571025758 951459528 /nfs/dbraw/zinc/45/95/28/951459528.db2.gz HTBGTWCKEMGNIG-DOMZBBRYSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575094714 951803402 /nfs/dbraw/zinc/80/34/02/951803402.db2.gz NZWYVOPZRUYTCZ-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098091 951819742 /nfs/dbraw/zinc/81/97/42/951819742.db2.gz AKSQBCDDMCLVRF-SNVBAGLBSA-N 2 2 360.447 0.736 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)C1 ZINC001571076099 952105017 /nfs/dbraw/zinc/10/50/17/952105017.db2.gz LAQSMSKOCJBOLK-NFAWXSAZSA-N 2 2 370.461 0.687 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)C1 ZINC001571076099 952105020 /nfs/dbraw/zinc/10/50/20/952105020.db2.gz LAQSMSKOCJBOLK-NFAWXSAZSA-N 2 2 370.461 0.687 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001575145428 952184826 /nfs/dbraw/zinc/18/48/26/952184826.db2.gz XPXVCKPKGQFEIM-IUODEOHRSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001575145428 952184830 /nfs/dbraw/zinc/18/48/30/952184830.db2.gz XPXVCKPKGQFEIM-IUODEOHRSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571100191 952346716 /nfs/dbraw/zinc/34/67/16/952346716.db2.gz ZDRFQDFGJPEAJR-YPMHNXCESA-N 2 2 372.458 0.904 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571100191 952346724 /nfs/dbraw/zinc/34/67/24/952346724.db2.gz ZDRFQDFGJPEAJR-YPMHNXCESA-N 2 2 372.458 0.904 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571108624 952403325 /nfs/dbraw/zinc/40/33/25/952403325.db2.gz AIGKXDJWFPNDCN-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571108624 952403328 /nfs/dbraw/zinc/40/33/28/952403328.db2.gz AIGKXDJWFPNDCN-OAHLLOKOSA-N 2 2 373.436 0.792 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000292958100 214133758 /nfs/dbraw/zinc/13/37/58/214133758.db2.gz HKCQQVFRDVVVSX-HNNXBMFYSA-N 2 2 363.462 0.832 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000292958100 214133761 /nfs/dbraw/zinc/13/37/61/214133761.db2.gz HKCQQVFRDVVVSX-HNNXBMFYSA-N 2 2 363.462 0.832 20 0 FCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296367258 214345983 /nfs/dbraw/zinc/34/59/83/214345983.db2.gz ZZPHJVKLYIDZMC-INIZCTEOSA-N 2 2 371.441 0.774 20 0 FCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296367258 214345986 /nfs/dbraw/zinc/34/59/86/214345986.db2.gz ZZPHJVKLYIDZMC-INIZCTEOSA-N 2 2 371.441 0.774 20 0 FCADLP CON(C)C(=O)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000291165399 214016903 /nfs/dbraw/zinc/01/69/03/214016903.db2.gz CXSJJYRGURPPEQ-UHFFFAOYSA-N 2 2 362.478 0.460 20 0 FCADLP CC(C)(CNC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000059386288 210208945 /nfs/dbraw/zinc/20/89/45/210208945.db2.gz JNKDJGJCGRJGLI-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+](C)C/C=C/C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265722839 210206144 /nfs/dbraw/zinc/20/61/44/210206144.db2.gz MWVCRYKAHGAMNB-ONEGZZNKSA-N 2 2 360.462 0.080 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000188956091 529903862 /nfs/dbraw/zinc/90/38/62/529903862.db2.gz XICSEXMQTDLEMX-UHFFFAOYSA-N 2 2 372.473 0.986 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000188956091 529903863 /nfs/dbraw/zinc/90/38/63/529903863.db2.gz XICSEXMQTDLEMX-UHFFFAOYSA-N 2 2 372.473 0.986 20 0 FCADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000930682829 674049237 /nfs/dbraw/zinc/04/92/37/674049237.db2.gz BXBWJGRMNSEWAV-SJORKVTESA-N 2 2 355.479 0.047 20 0 FCADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000930682829 674049241 /nfs/dbraw/zinc/04/92/41/674049241.db2.gz BXBWJGRMNSEWAV-SJORKVTESA-N 2 2 355.479 0.047 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCn1cc[nH+]c1 ZINC000265341648 210100858 /nfs/dbraw/zinc/10/08/58/210100858.db2.gz BKCVVKWZYFFAHA-INIZCTEOSA-N 2 2 357.462 0.788 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000331593682 215019408 /nfs/dbraw/zinc/01/94/08/215019408.db2.gz UNNRBYYUGRPFHX-MELADBBJSA-N 2 2 350.442 0.622 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc[nH+]1 ZINC000331593682 215019411 /nfs/dbraw/zinc/01/94/11/215019411.db2.gz UNNRBYYUGRPFHX-MELADBBJSA-N 2 2 350.442 0.622 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000331611995 215022678 /nfs/dbraw/zinc/02/26/78/215022678.db2.gz KCIMGJFUTFRUEK-HOTGVXAUSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000331611995 215022682 /nfs/dbraw/zinc/02/26/82/215022682.db2.gz KCIMGJFUTFRUEK-HOTGVXAUSA-N 2 2 351.495 0.419 20 0 FCADLP Cc1cc[nH]c1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331659605 215029943 /nfs/dbraw/zinc/02/99/43/215029943.db2.gz UCOFHGOACOOQTH-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000331661262 215030592 /nfs/dbraw/zinc/03/05/92/215030592.db2.gz UNENUSVFRAEWQB-FHERZECASA-N 2 2 351.495 0.594 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332026534 215080365 /nfs/dbraw/zinc/08/03/65/215080365.db2.gz YQOQDIHDANCXAA-HNNXBMFYSA-N 2 2 351.472 0.887 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332026534 215080369 /nfs/dbraw/zinc/08/03/69/215080369.db2.gz YQOQDIHDANCXAA-HNNXBMFYSA-N 2 2 351.472 0.887 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000332076357 215086992 /nfs/dbraw/zinc/08/69/92/215086992.db2.gz YSBZIXTUKPTCRX-KBPBESRZSA-N 2 2 374.489 0.387 20 0 FCADLP C[N@H+](CCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)C1CC1 ZINC000264912848 210013953 /nfs/dbraw/zinc/01/39/53/210013953.db2.gz XOEMJVNZJNNIMT-UHFFFAOYSA-N 2 2 374.489 0.677 20 0 FCADLP C[N@@H+](CCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)C1CC1 ZINC000264912848 210013955 /nfs/dbraw/zinc/01/39/55/210013955.db2.gz XOEMJVNZJNNIMT-UHFFFAOYSA-N 2 2 374.489 0.677 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000332318271 215129605 /nfs/dbraw/zinc/12/96/05/215129605.db2.gz OIVGBRLBGNNNCJ-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000332318271 215129608 /nfs/dbraw/zinc/12/96/08/215129608.db2.gz OIVGBRLBGNNNCJ-OALUTQOASA-N 2 2 361.486 0.721 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000332498229 215161507 /nfs/dbraw/zinc/16/15/07/215161507.db2.gz XRFOPEOOBIDHDL-DZGCQCFKSA-N 2 2 350.488 0.903 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000332533305 215171207 /nfs/dbraw/zinc/17/12/07/215171207.db2.gz HXWCSSGODGQIDU-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332704007 215205412 /nfs/dbraw/zinc/20/54/12/215205412.db2.gz XPNCLKLTOQULNB-NCOADZHNSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332774721 215210700 /nfs/dbraw/zinc/21/07/00/215210700.db2.gz LYRDXLWKBCNUNE-YCPHGPKFSA-N 2 2 351.495 0.321 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000332774721 215210703 /nfs/dbraw/zinc/21/07/03/215210703.db2.gz LYRDXLWKBCNUNE-YCPHGPKFSA-N 2 2 351.495 0.321 20 0 FCADLP C[C@@H](CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C[NH+]1CCOCC1 ZINC000332963552 215220692 /nfs/dbraw/zinc/22/06/92/215220692.db2.gz VOSBBUDTYSUDPS-HOTGVXAUSA-N 2 2 364.494 0.387 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000333018183 215223914 /nfs/dbraw/zinc/22/39/14/215223914.db2.gz HMQMWEDNFHNUNW-HNNXBMFYSA-N 2 2 360.462 0.751 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000333018184 215224751 /nfs/dbraw/zinc/22/47/51/215224751.db2.gz HMQMWEDNFHNUNW-OAHLLOKOSA-N 2 2 360.462 0.751 20 0 FCADLP C[C@@H]1OCC[C@@]1(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333023672 215225942 /nfs/dbraw/zinc/22/59/42/215225942.db2.gz KCGKJHBZXKGQCA-KBXCAEBGSA-N 2 2 354.495 0.384 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000264606248 209922707 /nfs/dbraw/zinc/92/27/07/209922707.db2.gz ATUGSHXNDAXCAK-UHFFFAOYSA-N 2 2 374.445 0.852 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000333492693 215287907 /nfs/dbraw/zinc/28/79/07/215287907.db2.gz VCYJGKJPDWIDRK-JKSUJKDBSA-N 2 2 374.489 0.709 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH2+]C(C)(C)C2)([NH+]2CCOCC2)C1 ZINC000333543440 215294707 /nfs/dbraw/zinc/29/47/07/215294707.db2.gz JOARDAZTXHYLTM-UHFFFAOYSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333496787 215290166 /nfs/dbraw/zinc/29/01/66/215290166.db2.gz CCHMHKRLJKTNKO-IKGGRYGDSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333496787 215290170 /nfs/dbraw/zinc/29/01/70/215290170.db2.gz CCHMHKRLJKTNKO-IKGGRYGDSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333650569 215304486 /nfs/dbraw/zinc/30/44/86/215304486.db2.gz JSVHKEKBJQXMBA-YESZJQIVSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333757171 215316610 /nfs/dbraw/zinc/31/66/10/215316610.db2.gz ZZJLQEUFQCBBEF-CVEARBPZSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333851173 215325049 /nfs/dbraw/zinc/32/50/49/215325049.db2.gz QBBTZRLBSMHRMY-HRCADAONSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000333889466 215328615 /nfs/dbraw/zinc/32/86/15/215328615.db2.gz GNSVJTNYSKRUHS-JKSUJKDBSA-N 2 2 373.501 0.966 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334003654 215335794 /nfs/dbraw/zinc/33/57/94/215335794.db2.gz CXUKILDEQLCWDY-YESZJQIVSA-N 2 2 367.538 0.815 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334003654 215335796 /nfs/dbraw/zinc/33/57/96/215335796.db2.gz CXUKILDEQLCWDY-YESZJQIVSA-N 2 2 367.538 0.815 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092242 215344040 /nfs/dbraw/zinc/34/40/40/215344040.db2.gz OLKZGVCYFAUVMB-QLFBSQMISA-N 2 2 360.462 0.837 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092242 215344043 /nfs/dbraw/zinc/34/40/43/215344043.db2.gz OLKZGVCYFAUVMB-QLFBSQMISA-N 2 2 360.462 0.837 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135038 215347733 /nfs/dbraw/zinc/34/77/33/215347733.db2.gz XQJJJKFRQADUJR-HOTGVXAUSA-N 2 2 351.495 0.419 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000334135038 215347735 /nfs/dbraw/zinc/34/77/35/215347735.db2.gz XQJJJKFRQADUJR-HOTGVXAUSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000285731864 213385036 /nfs/dbraw/zinc/38/50/36/213385036.db2.gz BTAUSDYGWUCIPM-CABCVRRESA-N 2 2 363.462 0.200 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285610337 213367640 /nfs/dbraw/zinc/36/76/40/213367640.db2.gz MGVWSLHUROAOOZ-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285610337 213367642 /nfs/dbraw/zinc/36/76/42/213367642.db2.gz MGVWSLHUROAOOZ-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP COC(=O)CNC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285416982 213338219 /nfs/dbraw/zinc/33/82/19/213338219.db2.gz JLYHSCOJUGEGLB-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP COC(=O)CNC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285416982 213338221 /nfs/dbraw/zinc/33/82/21/213338221.db2.gz JLYHSCOJUGEGLB-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000285376171 213333637 /nfs/dbraw/zinc/33/36/37/213333637.db2.gz XPBGYIWXHFIJRG-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCc2sccc2C1 ZINC000285376171 213333642 /nfs/dbraw/zinc/33/36/42/213333642.db2.gz XPBGYIWXHFIJRG-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@@H+]1CCc2sccc2C1 ZINC000285376171 213333643 /nfs/dbraw/zinc/33/36/43/213333643.db2.gz XPBGYIWXHFIJRG-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+](C)C1CC1)[N@H+]1CCc2sccc2C1 ZINC000285376171 213333647 /nfs/dbraw/zinc/33/36/47/213333647.db2.gz XPBGYIWXHFIJRG-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cn1 ZINC000285210343 213303439 /nfs/dbraw/zinc/30/34/39/213303439.db2.gz ZVNVMBKFDSIZPZ-UHFFFAOYSA-N 2 2 370.457 0.745 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cn1 ZINC000285210343 213303442 /nfs/dbraw/zinc/30/34/42/213303442.db2.gz ZVNVMBKFDSIZPZ-UHFFFAOYSA-N 2 2 370.457 0.745 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000285003946 213265526 /nfs/dbraw/zinc/26/55/26/213265526.db2.gz GYIVCFZVDZPLJL-UHFFFAOYSA-N 2 2 351.476 0.165 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000284970772 213259508 /nfs/dbraw/zinc/25/95/08/213259508.db2.gz IHZBBDLIVCFTAL-INIZCTEOSA-N 2 2 371.441 0.325 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000284970772 213259511 /nfs/dbraw/zinc/25/95/11/213259511.db2.gz IHZBBDLIVCFTAL-INIZCTEOSA-N 2 2 371.441 0.325 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000284924901 213250158 /nfs/dbraw/zinc/25/01/58/213250158.db2.gz QMBUKSIYOVETHR-UHFFFAOYSA-N 2 2 359.474 0.719 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000284836560 213232533 /nfs/dbraw/zinc/23/25/33/213232533.db2.gz IYCOHKAAKATKDJ-UHFFFAOYSA-N 2 2 356.430 0.356 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000284833440 213230624 /nfs/dbraw/zinc/23/06/24/213230624.db2.gz MRQRLIACVTXWOH-OAHLLOKOSA-N 2 2 359.474 0.497 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000284766431 213215514 /nfs/dbraw/zinc/21/55/14/213215514.db2.gz IYYRGYKRKHRFBW-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c[nH+]1 ZINC000284739660 213210666 /nfs/dbraw/zinc/21/06/66/213210666.db2.gz ZWEVSHPNRISNFZ-HOTGVXAUSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c[nH+]1 ZINC000284739660 213210669 /nfs/dbraw/zinc/21/06/69/213210669.db2.gz ZWEVSHPNRISNFZ-HOTGVXAUSA-N 2 2 359.474 0.707 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC3CC[NH+](C)CC3)CC2)c1 ZINC000284667353 213194179 /nfs/dbraw/zinc/19/41/79/213194179.db2.gz CXKHZIHECWKHGK-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284528235 213161939 /nfs/dbraw/zinc/16/19/39/213161939.db2.gz RPGRQCPPMGPRBF-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284528235 213161943 /nfs/dbraw/zinc/16/19/43/213161943.db2.gz RPGRQCPPMGPRBF-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP NC(=O)c1ncn(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1N ZINC000284428531 213136702 /nfs/dbraw/zinc/13/67/02/213136702.db2.gz YJAUYGQVAWLPGH-UHFFFAOYSA-N 2 2 366.429 0.982 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000284381279 213125170 /nfs/dbraw/zinc/12/51/70/213125170.db2.gz LZRRUCUEPWARRN-LLYBFZRZSA-N 2 2 354.476 0.780 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326891 213112333 /nfs/dbraw/zinc/11/23/33/213112333.db2.gz LDGXMKLFYIYZFE-HOCLYGCPSA-N 2 2 357.458 0.792 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284326891 213112337 /nfs/dbraw/zinc/11/23/37/213112337.db2.gz LDGXMKLFYIYZFE-HOCLYGCPSA-N 2 2 357.458 0.792 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283988955 213049852 /nfs/dbraw/zinc/04/98/52/213049852.db2.gz PQHVVJMFKHYUFC-NVXWUHKLSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988955 213049853 /nfs/dbraw/zinc/04/98/53/213049853.db2.gz PQHVVJMFKHYUFC-NVXWUHKLSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000283999843 213052372 /nfs/dbraw/zinc/05/23/72/213052372.db2.gz QBPDNZCDAYQMPJ-WBVHZDCISA-N 2 2 355.442 0.903 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000283999843 213052373 /nfs/dbraw/zinc/05/23/73/213052373.db2.gz QBPDNZCDAYQMPJ-WBVHZDCISA-N 2 2 355.442 0.903 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000283978673 213046673 /nfs/dbraw/zinc/04/66/73/213046673.db2.gz GDEAKPGMZDWHFL-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000283978673 213046675 /nfs/dbraw/zinc/04/66/75/213046675.db2.gz GDEAKPGMZDWHFL-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000283955237 213043203 /nfs/dbraw/zinc/04/32/03/213043203.db2.gz OESZKTLAEOEQHQ-GJZGRUSLSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000283955237 213043205 /nfs/dbraw/zinc/04/32/05/213043205.db2.gz OESZKTLAEOEQHQ-GJZGRUSLSA-N 2 2 363.462 0.100 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCSC1 ZINC000283849543 213019827 /nfs/dbraw/zinc/01/98/27/213019827.db2.gz ASTZPSTZFZVDPH-SUMWQHHRSA-N 2 2 365.503 0.669 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000283855572 213021613 /nfs/dbraw/zinc/02/16/13/213021613.db2.gz GVOCCDPOGXQXKN-GDBMZVCRSA-N 2 2 355.442 0.546 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000283855572 213021616 /nfs/dbraw/zinc/02/16/16/213021616.db2.gz GVOCCDPOGXQXKN-GDBMZVCRSA-N 2 2 355.442 0.546 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000283852860 213021368 /nfs/dbraw/zinc/02/13/68/213021368.db2.gz JBYDMFWPJGBTPA-GJZGRUSLSA-N 2 2 373.457 0.566 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000283800153 213010030 /nfs/dbraw/zinc/01/00/30/213010030.db2.gz HTOYPSAAVFPOLU-HNNXBMFYSA-N 2 2 365.478 0.393 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000283729376 213000662 /nfs/dbraw/zinc/00/06/62/213000662.db2.gz YOCWIZCRWDPFBT-CQSZACIVSA-N 2 2 362.430 0.600 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283764155 213004653 /nfs/dbraw/zinc/00/46/53/213004653.db2.gz BWQBIODSCBNUCQ-ZDUSSCGKSA-N 2 2 354.414 0.862 20 0 FCADLP C[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030317 216066161 /nfs/dbraw/zinc/06/61/61/216066161.db2.gz PYLPXXVQDJZHCM-HOTGVXAUSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030317 216066165 /nfs/dbraw/zinc/06/61/65/216066165.db2.gz PYLPXXVQDJZHCM-HOTGVXAUSA-N 2 2 365.522 0.665 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000367267947 216100192 /nfs/dbraw/zinc/10/01/92/216100192.db2.gz URFQWJBGYSUGKV-UHFFFAOYSA-N 3 2 352.523 0.585 20 0 FCADLP CC1(C)NC(=O)N(CCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000367296074 216103714 /nfs/dbraw/zinc/10/37/14/216103714.db2.gz NSBYRPCZZYZWAA-AWEZNQCLSA-N 2 2 365.478 0.121 20 0 FCADLP CC1(C)NC(=O)N(CCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000367296074 216103718 /nfs/dbraw/zinc/10/37/18/216103718.db2.gz NSBYRPCZZYZWAA-AWEZNQCLSA-N 2 2 365.478 0.121 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000262278659 209560665 /nfs/dbraw/zinc/56/06/65/209560665.db2.gz NPTUIWXPZMDECQ-CJNGLKHVSA-N 2 2 354.495 0.106 20 0 FCADLP COC(=O)N1CCC(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000367518870 216132552 /nfs/dbraw/zinc/13/25/52/216132552.db2.gz KQOQSHOBYXDETN-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP COC(=O)N1CCC(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000367518870 216132555 /nfs/dbraw/zinc/13/25/55/216132555.db2.gz KQOQSHOBYXDETN-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@H](C)C1 ZINC000367591515 216140745 /nfs/dbraw/zinc/14/07/45/216140745.db2.gz ZWGSFUMLKONGGB-FJIDUMEYSA-N 2 2 368.522 0.726 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@@H](C)C1 ZINC000367591515 216140749 /nfs/dbraw/zinc/14/07/49/216140749.db2.gz ZWGSFUMLKONGGB-FJIDUMEYSA-N 2 2 368.522 0.726 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C1 ZINC000246731590 209398501 /nfs/dbraw/zinc/39/85/01/209398501.db2.gz VYTWUPHIFPUJHD-QZTJIDSGSA-N 2 2 357.539 0.889 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C1 ZINC000246731590 209398511 /nfs/dbraw/zinc/39/85/11/209398511.db2.gz VYTWUPHIFPUJHD-QZTJIDSGSA-N 2 2 357.539 0.889 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000246740279 209398550 /nfs/dbraw/zinc/39/85/50/209398550.db2.gz KNKJJRPIYLQNLJ-GVDBMIGSSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246652320 209396431 /nfs/dbraw/zinc/39/64/31/209396431.db2.gz QWWLETQQBZVZAY-HOTGVXAUSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246652320 209396434 /nfs/dbraw/zinc/39/64/34/209396434.db2.gz QWWLETQQBZVZAY-HOTGVXAUSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000246482918 209388882 /nfs/dbraw/zinc/38/88/82/209388882.db2.gz VVSYWPKIVZVUFP-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000246482918 209388883 /nfs/dbraw/zinc/38/88/83/209388883.db2.gz VVSYWPKIVZVUFP-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246410968 209386488 /nfs/dbraw/zinc/38/64/88/209386488.db2.gz BMQMQCGGNYEUEH-DZKIICNBSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410968 209386491 /nfs/dbraw/zinc/38/64/91/209386491.db2.gz BMQMQCGGNYEUEH-DZKIICNBSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410968 209386493 /nfs/dbraw/zinc/38/64/93/209386493.db2.gz BMQMQCGGNYEUEH-DZKIICNBSA-N 2 2 352.479 0.796 20 0 FCADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246129991 209378964 /nfs/dbraw/zinc/37/89/64/209378964.db2.gz QOQWXKJJDQPXRE-OALUTQOASA-N 2 2 358.486 0.394 20 0 FCADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246129991 209378967 /nfs/dbraw/zinc/37/89/67/209378967.db2.gz QOQWXKJJDQPXRE-OALUTQOASA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1)c1ccccc1F ZINC000237802992 209357888 /nfs/dbraw/zinc/35/78/88/209357888.db2.gz YQOCKTSXVNHDSV-UHFFFAOYSA-N 2 2 362.449 0.699 20 0 FCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000237332718 209350840 /nfs/dbraw/zinc/35/08/40/209350840.db2.gz OLOZTAHXJRZCCA-AWEZNQCLSA-N 2 2 368.503 0.094 20 0 FCADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000236833409 209343996 /nfs/dbraw/zinc/34/39/96/209343996.db2.gz SLXAECFLYMITFA-CVEARBPZSA-N 2 2 355.504 0.948 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000236670958 209342663 /nfs/dbraw/zinc/34/26/63/209342663.db2.gz IIKUEVQFUGEOTK-INIZCTEOSA-N 2 2 350.467 0.289 20 0 FCADLP CCOC1CC(CNC(=O)NCCn2cc[nH+]c2)([NH+]2CCOCC2)C1 ZINC000193809877 209319454 /nfs/dbraw/zinc/31/94/54/209319454.db2.gz KGCIEGFHPNGHKJ-UHFFFAOYSA-N 2 2 351.451 0.452 20 0 FCADLP Cc1cn(C)c(CC(=O)N2CC[NH+](C)CC2)c1C(=O)N1CC[NH+](C)CC1 ZINC000193885734 209318946 /nfs/dbraw/zinc/31/89/46/209318946.db2.gz BIPCAKCFIRKFKC-UHFFFAOYSA-N 2 2 361.490 0.038 20 0 FCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000193566814 209314964 /nfs/dbraw/zinc/31/49/64/209314964.db2.gz UBBLIEUJMYXWCN-CZUORRHYSA-N 2 2 350.488 0.507 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000193491510 209313279 /nfs/dbraw/zinc/31/32/79/209313279.db2.gz GALMVVDJTRBMCY-GASCZTMLSA-N 2 2 352.479 0.559 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000193491510 209313281 /nfs/dbraw/zinc/31/32/81/209313281.db2.gz GALMVVDJTRBMCY-GASCZTMLSA-N 2 2 352.479 0.559 20 0 FCADLP C[C@@H]([NH3+])CCC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000193304709 209311562 /nfs/dbraw/zinc/31/15/62/209311562.db2.gz BSXJFUBJHMPYGC-CYBMUJFWSA-N 2 2 354.476 0.689 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000193097270 209308652 /nfs/dbraw/zinc/30/86/52/209308652.db2.gz OGUVLTJHZDNMLT-UHFFFAOYSA-N 2 2 368.522 0.995 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963093 216324760 /nfs/dbraw/zinc/32/47/60/216324760.db2.gz HPQXLNFULIAMGJ-MDZRGWNJSA-N 2 2 371.485 0.706 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963093 216324763 /nfs/dbraw/zinc/32/47/63/216324763.db2.gz HPQXLNFULIAMGJ-MDZRGWNJSA-N 2 2 371.485 0.706 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275573 216375766 /nfs/dbraw/zinc/37/57/66/216375766.db2.gz BVXCJQUCYOHHKQ-JKSUJKDBSA-N 2 2 374.485 0.913 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)CC1 ZINC000369275573 216375769 /nfs/dbraw/zinc/37/57/69/216375769.db2.gz BVXCJQUCYOHHKQ-JKSUJKDBSA-N 2 2 374.485 0.913 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000369275067 216377167 /nfs/dbraw/zinc/37/71/67/216377167.db2.gz VDVDGMKOQWDUJZ-CQSZACIVSA-N 2 2 357.462 0.639 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000369275067 216377170 /nfs/dbraw/zinc/37/71/70/216377170.db2.gz VDVDGMKOQWDUJZ-CQSZACIVSA-N 2 2 357.462 0.639 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000369275066 216377297 /nfs/dbraw/zinc/37/72/97/216377297.db2.gz VDVDGMKOQWDUJZ-AWEZNQCLSA-N 2 2 357.462 0.639 20 0 FCADLP Cc1cc(C)n2nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2n1 ZINC000369275066 216377301 /nfs/dbraw/zinc/37/73/01/216377301.db2.gz VDVDGMKOQWDUJZ-AWEZNQCLSA-N 2 2 357.462 0.639 20 0 FCADLP COC(=O)CSCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372880 216391870 /nfs/dbraw/zinc/39/18/70/216391870.db2.gz MRBRMIGREBGYEX-CYBMUJFWSA-N 2 2 358.508 0.360 20 0 FCADLP COC(=O)CSCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372880 216391873 /nfs/dbraw/zinc/39/18/73/216391873.db2.gz MRBRMIGREBGYEX-CYBMUJFWSA-N 2 2 358.508 0.360 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000189754383 209259215 /nfs/dbraw/zinc/25/92/15/209259215.db2.gz OGMWKCDODXEOTF-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000189754383 209259219 /nfs/dbraw/zinc/25/92/19/209259219.db2.gz OGMWKCDODXEOTF-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000189723471 209257048 /nfs/dbraw/zinc/25/70/48/209257048.db2.gz WXTZECDKFKTZQY-LPHOPBHVSA-N 2 2 361.486 0.709 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000189278428 209248403 /nfs/dbraw/zinc/24/84/03/209248403.db2.gz BYRMBIQTNYDYRG-RRFJBIMHSA-N 2 2 353.488 0.923 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1CC(C)(C)O ZINC000188503280 209232489 /nfs/dbraw/zinc/23/24/89/209232489.db2.gz AHARIPWMNAGHRQ-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1CC(C)(C)O ZINC000188503280 209232491 /nfs/dbraw/zinc/23/24/91/209232491.db2.gz AHARIPWMNAGHRQ-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1CC(C)(C)O ZINC000188503280 209232495 /nfs/dbraw/zinc/23/24/95/209232495.db2.gz AHARIPWMNAGHRQ-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1CC(C)(C)O ZINC000188503280 209232498 /nfs/dbraw/zinc/23/24/98/209232498.db2.gz AHARIPWMNAGHRQ-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[N@H+](CC(=O)NC1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188303043 209228344 /nfs/dbraw/zinc/22/83/44/209228344.db2.gz LWLVAICGGYQHTM-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188303043 209228357 /nfs/dbraw/zinc/22/83/57/209228357.db2.gz LWLVAICGGYQHTM-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188303043 209228358 /nfs/dbraw/zinc/22/83/58/209228358.db2.gz LWLVAICGGYQHTM-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP COC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000187492602 209212297 /nfs/dbraw/zinc/21/22/97/209212297.db2.gz KUWRERRRCKKFKT-QAPCUYQASA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCOCC2)C[C@H](C)O1 ZINC000186855988 209198645 /nfs/dbraw/zinc/19/86/45/209198645.db2.gz GTFVNJJVTNLQSB-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCOCC2)C[C@H](C)O1 ZINC000186855988 209198650 /nfs/dbraw/zinc/19/86/50/209198650.db2.gz GTFVNJJVTNLQSB-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186624429 209194339 /nfs/dbraw/zinc/19/43/39/209194339.db2.gz ZOYHUBWGDNWZLR-QGZVFWFLSA-N 2 2 353.426 0.909 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000186623890 209193647 /nfs/dbraw/zinc/19/36/47/209193647.db2.gz BZPXZVBMKVPFPL-JKSUJKDBSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000186623890 209193651 /nfs/dbraw/zinc/19/36/51/209193651.db2.gz BZPXZVBMKVPFPL-JKSUJKDBSA-N 3 2 355.527 0.109 20 0 FCADLP CC1C[C@@H](C(=O)NCCn2cc[nH+]c2)[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000185688731 209179319 /nfs/dbraw/zinc/17/93/19/209179319.db2.gz JGVRWILBDGYJTC-MQVJKMGUSA-N 2 2 358.446 0.675 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000373287304 217003745 /nfs/dbraw/zinc/00/37/45/217003745.db2.gz VAKLTAXHHCQRHB-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000373287304 217003747 /nfs/dbraw/zinc/00/37/47/217003747.db2.gz VAKLTAXHHCQRHB-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000373287304 217003752 /nfs/dbraw/zinc/00/37/52/217003752.db2.gz VAKLTAXHHCQRHB-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000414673521 245309825 /nfs/dbraw/zinc/30/98/25/245309825.db2.gz CLYCLELUXSTRQZ-QGZVFWFLSA-N 2 2 362.474 0.947 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746238 245318790 /nfs/dbraw/zinc/31/87/90/245318790.db2.gz YRKDJURZDHSXMP-WMZOPIPTSA-N 2 2 356.474 0.936 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746238 245318794 /nfs/dbraw/zinc/31/87/94/245318794.db2.gz YRKDJURZDHSXMP-WMZOPIPTSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000414816787 245323802 /nfs/dbraw/zinc/32/38/02/245323802.db2.gz QRODFLHALABCSH-KBPBESRZSA-N 2 2 360.458 0.496 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)NC(C)(C)C[NH3+])c2)CC1 ZINC000415026741 245342743 /nfs/dbraw/zinc/34/27/43/245342743.db2.gz VCGREIOQFZNNKN-UHFFFAOYSA-N 2 2 369.491 0.482 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000415230689 245364312 /nfs/dbraw/zinc/36/43/12/245364312.db2.gz NQSDOGQAHUDKCD-GOEBONIOSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000415233453 245365895 /nfs/dbraw/zinc/36/58/95/245365895.db2.gz SBMXNYHWQJOGKC-KEYYUXOJSA-N 2 2 360.458 0.966 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000415233455 245365188 /nfs/dbraw/zinc/36/51/88/245365188.db2.gz SBMXNYHWQJOGKC-ZQIUZPCESA-N 2 2 360.458 0.966 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000415343562 245394121 /nfs/dbraw/zinc/39/41/21/245394121.db2.gz LQJXKIVDQJHBML-LSDHHAIUSA-N 2 2 360.458 0.839 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CC1 ZINC000275343995 212009714 /nfs/dbraw/zinc/00/97/14/212009714.db2.gz YIYAMWUKKRVXML-UHFFFAOYSA-N 2 2 370.501 0.616 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000275311635 212006245 /nfs/dbraw/zinc/00/62/45/212006245.db2.gz ROPPLXDIVNCCOY-UHFFFAOYSA-N 2 2 360.458 0.314 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)cn2)CC1 ZINC000373583059 217035143 /nfs/dbraw/zinc/03/51/43/217035143.db2.gz OSLYGNOQSKJQJY-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000415364512 245399390 /nfs/dbraw/zinc/39/93/90/245399390.db2.gz SGFULWMZSYJFGM-QGZVFWFLSA-N 2 2 373.501 0.570 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000374157811 217104220 /nfs/dbraw/zinc/10/42/20/217104220.db2.gz BIERDYUWWVSLRU-QGZVFWFLSA-N 2 2 366.506 0.111 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323634 217118404 /nfs/dbraw/zinc/11/84/04/217118404.db2.gz IMGJHJQSSJLBHS-OKZBNKHCSA-N 2 2 354.539 0.876 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323634 217118405 /nfs/dbraw/zinc/11/84/05/217118405.db2.gz IMGJHJQSSJLBHS-OKZBNKHCSA-N 2 2 354.539 0.876 20 0 FCADLP CC1=C(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)n2ncnc2N1C ZINC000374232270 217110976 /nfs/dbraw/zinc/11/09/76/217110976.db2.gz RWNAFKSWFAXMPF-LSDHHAIUSA-N 2 2 373.505 0.848 20 0 FCADLP CC1=C(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)n2ncnc2N1C ZINC000374232270 217110979 /nfs/dbraw/zinc/11/09/79/217110979.db2.gz RWNAFKSWFAXMPF-LSDHHAIUSA-N 2 2 373.505 0.848 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)CCC2 ZINC000374418207 217127971 /nfs/dbraw/zinc/12/79/71/217127971.db2.gz DSNGKZJQAAXNCQ-YJBOKZPZSA-N 2 2 365.478 0.451 20 0 FCADLP CC(C)c1nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000374944980 217195128 /nfs/dbraw/zinc/19/51/28/217195128.db2.gz JDEYURDRFUBSTP-UHFFFAOYSA-N 2 2 364.494 0.725 20 0 FCADLP Cc1nc(N2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)cc[nH+]1 ZINC000183779408 209152596 /nfs/dbraw/zinc/15/25/96/209152596.db2.gz VJUOOVMJJYIBST-UHFFFAOYSA-N 2 2 374.367 0.685 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000183753264 209151416 /nfs/dbraw/zinc/15/14/16/209151416.db2.gz UMFDSPJTRNRHMW-MRXNPFEDSA-N 2 2 372.535 0.087 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000183753264 209151419 /nfs/dbraw/zinc/15/14/19/209151419.db2.gz UMFDSPJTRNRHMW-MRXNPFEDSA-N 2 2 372.535 0.087 20 0 FCADLP [NH3+]Cc1ccc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000415979924 245530151 /nfs/dbraw/zinc/53/01/51/245530151.db2.gz RMQJKUVZZWQPTR-UHFFFAOYSA-N 2 2 355.446 0.879 20 0 FCADLP CN(C)C(=O)CC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000182772548 209137025 /nfs/dbraw/zinc/13/70/25/209137025.db2.gz LXYJFAGQWOYQSC-UHFFFAOYSA-N 2 2 367.538 0.912 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC(=O)N1CCOCC1)c1ccccc1 ZINC000182013258 209126262 /nfs/dbraw/zinc/12/62/62/209126262.db2.gz XHUXWGIYIBGAPD-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000182053552 209125355 /nfs/dbraw/zinc/12/53/55/209125355.db2.gz NAUXPHLJSNYSNQ-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000375543418 217281807 /nfs/dbraw/zinc/28/18/07/217281807.db2.gz QUSOTDHXCMCYMF-DMVWFOPNSA-N 2 2 360.462 0.664 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000375543418 217281809 /nfs/dbraw/zinc/28/18/09/217281809.db2.gz QUSOTDHXCMCYMF-DMVWFOPNSA-N 2 2 360.462 0.664 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000375592407 217289211 /nfs/dbraw/zinc/28/92/11/217289211.db2.gz SHLWFGLEKCTQSN-IBGZPJMESA-N 3 2 365.566 0.817 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000375592407 217289214 /nfs/dbraw/zinc/28/92/14/217289214.db2.gz SHLWFGLEKCTQSN-IBGZPJMESA-N 3 2 365.566 0.817 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CC12CC[NH2+]CC2 ZINC000375704867 217300670 /nfs/dbraw/zinc/30/06/70/217300670.db2.gz NWZHSPLOFHPYTI-OWCLPIDISA-N 3 2 361.490 0.880 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000375736682 217306846 /nfs/dbraw/zinc/30/68/46/217306846.db2.gz QUAFEOUPWHPROY-ZNMIVQPWSA-N 2 2 352.479 0.796 20 0 FCADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000375736682 217306848 /nfs/dbraw/zinc/30/68/48/217306848.db2.gz QUAFEOUPWHPROY-ZNMIVQPWSA-N 2 2 352.479 0.796 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000376327080 217384939 /nfs/dbraw/zinc/38/49/39/217384939.db2.gz GNGZHVXNMDKLRE-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000376327080 217384941 /nfs/dbraw/zinc/38/49/41/217384941.db2.gz GNGZHVXNMDKLRE-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419127358 246000846 /nfs/dbraw/zinc/00/08/46/246000846.db2.gz PUQHPBYYFJHOOQ-IRXDYDNUSA-N 2 2 369.469 0.834 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419130758 246005265 /nfs/dbraw/zinc/00/52/65/246005265.db2.gz BWKJCDWNLHGTDE-HNNXBMFYSA-N 2 2 357.458 0.986 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419155377 246021186 /nfs/dbraw/zinc/02/11/86/246021186.db2.gz RHCOYQWZBHPYNP-HNNXBMFYSA-N 2 2 357.458 0.843 20 0 FCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000419211992 246056245 /nfs/dbraw/zinc/05/62/45/246056245.db2.gz YVCXTBODUQVORQ-HZPDHXFCSA-N 2 2 359.474 0.932 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419205978 246052675 /nfs/dbraw/zinc/05/26/75/246052675.db2.gz LYPCIOYWBJSDKQ-CVEARBPZSA-N 2 2 357.458 0.651 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C[NH3+] ZINC000419273107 246083472 /nfs/dbraw/zinc/08/34/72/246083472.db2.gz HUOMNLYPNMEKGZ-CRAIPNDOSA-N 2 2 369.469 0.991 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419274969 246084859 /nfs/dbraw/zinc/08/48/59/246084859.db2.gz JLPODTIMDKVNJL-KRWDZBQOSA-N 2 2 355.442 0.806 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419303647 246091748 /nfs/dbraw/zinc/09/17/48/246091748.db2.gz IDHLNFHLEBUFPE-UHFFFAOYSA-N 2 2 355.389 0.398 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[C@H](C)[NH2+]1 ZINC000419314014 246095732 /nfs/dbraw/zinc/09/57/32/246095732.db2.gz UBYDAXZFURYBGR-GJZGRUSLSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000419365398 246120195 /nfs/dbraw/zinc/12/01/95/246120195.db2.gz XWHPCZFCLUIJRC-CQSZACIVSA-N 2 2 367.453 0.724 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000419411146 246143961 /nfs/dbraw/zinc/14/39/61/246143961.db2.gz POMWGQGSBDOJQV-FGTMMUONSA-N 2 2 370.538 0.830 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419642363 246226392 /nfs/dbraw/zinc/22/63/92/246226392.db2.gz INWMRFDKOMHOJK-UHFFFAOYSA-N 2 2 359.474 0.990 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC000419717633 246268377 /nfs/dbraw/zinc/26/83/77/246268377.db2.gz BZWBZGFKVHKICI-JKSUJKDBSA-N 2 2 359.405 0.482 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000419681614 246246935 /nfs/dbraw/zinc/24/69/35/246246935.db2.gz IPGDQHCGMNXAQU-ZMSDIMECSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000419686473 246250536 /nfs/dbraw/zinc/25/05/36/246250536.db2.gz OGKRVYCVUVDMCW-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419736441 246276363 /nfs/dbraw/zinc/27/63/63/246276363.db2.gz WMQPUUOYYGNEKA-DLBZAZTESA-N 2 2 371.485 0.767 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000419738189 246278960 /nfs/dbraw/zinc/27/89/60/246278960.db2.gz YFEUUHITNJXYNT-MRXNPFEDSA-N 2 2 359.474 0.625 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)C(=O)NCCCC[NH3+] ZINC000419835695 246312130 /nfs/dbraw/zinc/31/21/30/246312130.db2.gz WIOJULBBSMUYCL-KBPBESRZSA-N 2 2 370.494 0.974 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)C(=O)NCCCC[NH3+] ZINC000419835695 246312136 /nfs/dbraw/zinc/31/21/36/246312136.db2.gz WIOJULBBSMUYCL-KBPBESRZSA-N 2 2 370.494 0.974 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000419848627 246319687 /nfs/dbraw/zinc/31/96/87/246319687.db2.gz VMCZMQJGODUKMF-UHFFFAOYSA-N 2 2 362.478 0.283 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000419853341 246324722 /nfs/dbraw/zinc/32/47/22/246324722.db2.gz AOISZSZEHPKQGS-KDOFPFPSSA-N 2 2 374.485 0.754 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419873912 246342189 /nfs/dbraw/zinc/34/21/89/246342189.db2.gz VKCDHENYQYSOIF-KRWDZBQOSA-N 2 2 362.449 0.714 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000419873912 246342193 /nfs/dbraw/zinc/34/21/93/246342193.db2.gz VKCDHENYQYSOIF-KRWDZBQOSA-N 2 2 362.449 0.714 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000419925326 246369945 /nfs/dbraw/zinc/36/99/45/246369945.db2.gz OMJBKBULUYTGLZ-CQSZACIVSA-N 2 2 360.458 0.236 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939099 246377077 /nfs/dbraw/zinc/37/70/77/246377077.db2.gz QQJXBSIHRYBQNS-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419939099 246377082 /nfs/dbraw/zinc/37/70/82/246377082.db2.gz QQJXBSIHRYBQNS-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419885663 246350209 /nfs/dbraw/zinc/35/02/09/246350209.db2.gz KKBGTHGAGFHVHS-ULQDDVLXSA-N 2 2 373.501 0.791 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C)[C@@H](C)C1 ZINC000419888851 246353061 /nfs/dbraw/zinc/35/30/61/246353061.db2.gz GFBNPZDAFISTEK-HNNXBMFYSA-N 2 2 362.474 0.454 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C)[C@@H](C)C1 ZINC000419888851 246353075 /nfs/dbraw/zinc/35/30/75/246353075.db2.gz GFBNPZDAFISTEK-HNNXBMFYSA-N 2 2 362.474 0.454 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000419893361 246354094 /nfs/dbraw/zinc/35/40/94/246354094.db2.gz PUQVDMKEGLHVHY-HNNXBMFYSA-N 2 2 374.489 0.425 20 0 FCADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000419894951 246356355 /nfs/dbraw/zinc/35/63/55/246356355.db2.gz WQCPKNCPFNIYHR-HUUCEWRRSA-N 2 2 373.457 0.140 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000419903161 246359760 /nfs/dbraw/zinc/35/97/60/246359760.db2.gz IHKHLGBKBVDWIW-HNNXBMFYSA-N 2 2 359.474 0.794 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419905791 246361381 /nfs/dbraw/zinc/36/13/81/246361381.db2.gz WPEVGRZSIAQFEU-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419947689 246382875 /nfs/dbraw/zinc/38/28/75/246382875.db2.gz DCVHJMROOSPMIM-CQSZACIVSA-N 2 2 352.504 0.882 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419959174 246386935 /nfs/dbraw/zinc/38/69/35/246386935.db2.gz WWIACSPPFWZRHS-SFHVURJKSA-N 2 2 358.486 0.898 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419963443 246390319 /nfs/dbraw/zinc/39/03/19/246390319.db2.gz WEMIAZOBRRWNDZ-LSDHHAIUSA-N 2 2 362.474 0.611 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000423051919 246954896 /nfs/dbraw/zinc/95/48/96/246954896.db2.gz PFKMONBJGSMRDU-UHFFFAOYSA-N 2 2 364.465 0.928 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000423051919 246954900 /nfs/dbraw/zinc/95/49/00/246954900.db2.gz PFKMONBJGSMRDU-UHFFFAOYSA-N 2 2 364.465 0.928 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000423381153 247015841 /nfs/dbraw/zinc/01/58/41/247015841.db2.gz HSUVYWFCCLYLSS-QAETUUGQSA-N 2 2 373.501 0.787 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423306919 247001891 /nfs/dbraw/zinc/00/18/91/247001891.db2.gz FSHNARHVYCCUMB-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423306919 247001898 /nfs/dbraw/zinc/00/18/98/247001898.db2.gz FSHNARHVYCCUMB-NEWSRXKRSA-N 2 2 370.497 0.930 20 0 FCADLP COC[C@]1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000423319786 247005561 /nfs/dbraw/zinc/00/55/61/247005561.db2.gz CZXQMJYGLTWMRI-DOXZYTNZSA-N 2 2 362.474 0.938 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423336249 247006614 /nfs/dbraw/zinc/00/66/14/247006614.db2.gz UIUAPGADWOFGGZ-OWCLPIDISA-N 2 2 356.511 0.386 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423336249 247006617 /nfs/dbraw/zinc/00/66/17/247006617.db2.gz UIUAPGADWOFGGZ-OWCLPIDISA-N 2 2 356.511 0.386 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530550 247044470 /nfs/dbraw/zinc/04/44/70/247044470.db2.gz PPSHROWYMNRVNV-IRXDYDNUSA-N 3 2 367.538 0.199 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530550 247044477 /nfs/dbraw/zinc/04/44/77/247044477.db2.gz PPSHROWYMNRVNV-IRXDYDNUSA-N 3 2 367.538 0.199 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000423598146 247068041 /nfs/dbraw/zinc/06/80/41/247068041.db2.gz VXKWNGHTTQJHCL-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423428993 247025567 /nfs/dbraw/zinc/02/55/67/247025567.db2.gz ORBRWXSILYAGRD-CYBMUJFWSA-N 2 2 352.866 0.962 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423439709 247028256 /nfs/dbraw/zinc/02/82/56/247028256.db2.gz WKMYZHFVDQBOPY-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423631406 247083566 /nfs/dbraw/zinc/08/35/66/247083566.db2.gz ZUBRVWKFEBFUJV-NVXWUHKLSA-N 2 2 359.474 0.627 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C[NH2+]1 ZINC000423630407 247083656 /nfs/dbraw/zinc/08/36/56/247083656.db2.gz LGHCLTPQKXPSHY-KBPBESRZSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657294 247097126 /nfs/dbraw/zinc/09/71/26/247097126.db2.gz VQWHGWYHYZZUQS-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657294 247097129 /nfs/dbraw/zinc/09/71/29/247097129.db2.gz VQWHGWYHYZZUQS-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000423695348 247114793 /nfs/dbraw/zinc/11/47/93/247114793.db2.gz BRJGSZSUTXUGBS-JKSUJKDBSA-N 2 2 361.490 0.802 20 0 FCADLP CCCN(C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[NH2+]C1 ZINC000423663185 247102264 /nfs/dbraw/zinc/10/22/64/247102264.db2.gz OEUYNVWFOWXNFD-JKSUJKDBSA-N 2 2 361.490 0.802 20 0 FCADLP Cc1ccc([C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)[NH+]2CCOCC2)s1 ZINC000423768023 247138909 /nfs/dbraw/zinc/13/89/09/247138909.db2.gz ZNFBFHXSZVHKTH-GJZGRUSLSA-N 2 2 353.488 0.925 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)CCOC2C[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423760942 247140289 /nfs/dbraw/zinc/14/02/89/247140289.db2.gz QSEXUEBLSBIAIX-OAHLLOKOSA-N 2 2 353.488 0.925 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000423754362 247140568 /nfs/dbraw/zinc/14/05/68/247140568.db2.gz ZMDSTIZMSGAKCG-INIZCTEOSA-N 2 2 359.474 0.639 20 0 FCADLP O=C([C@H]1CCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000423769330 247140749 /nfs/dbraw/zinc/14/07/49/247140749.db2.gz DZCZKDCXYZHLFJ-OAHLLOKOSA-N 2 2 360.462 0.104 20 0 FCADLP O=C([C@H]1CCCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000423769330 247140755 /nfs/dbraw/zinc/14/07/55/247140755.db2.gz DZCZKDCXYZHLFJ-OAHLLOKOSA-N 2 2 360.462 0.104 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)CC2)c1 ZINC000423807308 247141631 /nfs/dbraw/zinc/14/16/31/247141631.db2.gz JLONZDVCCOQBTE-QAPCUYQASA-N 2 2 363.458 0.595 20 0 FCADLP C[NH2+]CCC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423901173 247149396 /nfs/dbraw/zinc/14/93/96/247149396.db2.gz NHQFAFICVVEVBI-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000423924293 247150221 /nfs/dbraw/zinc/15/02/21/247150221.db2.gz ZBLVOKTUTBBWOB-RWMBFGLXSA-N 2 2 359.396 0.694 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1F ZINC000423715980 247123115 /nfs/dbraw/zinc/12/31/15/247123115.db2.gz VLZQISNPUYDOGJ-GOEBONIOSA-N 2 2 357.389 0.318 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423739847 247134357 /nfs/dbraw/zinc/13/43/57/247134357.db2.gz WLUAERTZIHALFO-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000424300558 247195861 /nfs/dbraw/zinc/19/58/61/247195861.db2.gz WSISJAJWVLZFNG-OAHLLOKOSA-N 3 2 360.506 0.676 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)cc2)CC1 ZINC000424163989 247173205 /nfs/dbraw/zinc/17/32/05/247173205.db2.gz BGDGJFKZNZDHOE-KDOFPFPSSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CCN(Cc3[nH]cc[nH+]3)CC1)CC[NH2+]CC2 ZINC000424497798 247241960 /nfs/dbraw/zinc/24/19/60/247241960.db2.gz XZFGTCITLATVKB-HNNXBMFYSA-N 2 2 374.489 0.045 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425395528 247334934 /nfs/dbraw/zinc/33/49/34/247334934.db2.gz XYUPADBMRHBPNG-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425395528 247334938 /nfs/dbraw/zinc/33/49/38/247334938.db2.gz XYUPADBMRHBPNG-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000425908947 247424290 /nfs/dbraw/zinc/42/42/90/247424290.db2.gz LISZUKZZHQFYEF-UHFFFAOYSA-N 2 2 362.474 0.884 20 0 FCADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000429520082 247649623 /nfs/dbraw/zinc/64/96/23/247649623.db2.gz KTHKJJJGYKFTAP-QAPCUYQASA-N 2 2 374.485 0.503 20 0 FCADLP CCN(C[C@H](O)C(F)(F)F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000430310649 247690171 /nfs/dbraw/zinc/69/01/71/247690171.db2.gz CPYJPEUNDOFKGU-ZDUSSCGKSA-N 2 2 354.417 0.967 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430560964 247707832 /nfs/dbraw/zinc/70/78/32/247707832.db2.gz JGNDCBUAZROKAG-XIKOKIGWSA-N 2 2 350.438 0.836 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000430584463 247710183 /nfs/dbraw/zinc/71/01/83/247710183.db2.gz ZDBWFUYISOSNHO-UONOGXRCSA-N 2 2 368.503 0.949 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000430584463 247710188 /nfs/dbraw/zinc/71/01/88/247710188.db2.gz ZDBWFUYISOSNHO-UONOGXRCSA-N 2 2 368.503 0.949 20 0 FCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000435604516 248003404 /nfs/dbraw/zinc/00/34/04/248003404.db2.gz AHUQFVYPISBINQ-MSOLQXFVSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000435604516 248003407 /nfs/dbraw/zinc/00/34/07/248003407.db2.gz AHUQFVYPISBINQ-MSOLQXFVSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000435604520 248003956 /nfs/dbraw/zinc/00/39/56/248003956.db2.gz AHUQFVYPISBINQ-ZWKOTPCHSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000435604520 248003959 /nfs/dbraw/zinc/00/39/59/248003959.db2.gz AHUQFVYPISBINQ-ZWKOTPCHSA-N 2 2 370.538 0.833 20 0 FCADLP COCCOCCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435562072 248000303 /nfs/dbraw/zinc/00/03/03/248000303.db2.gz BHMLTYSWNAOUEM-HNNXBMFYSA-N 2 2 350.463 0.944 20 0 FCADLP CC(=O)N1CCC[C@H]1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435556274 248000605 /nfs/dbraw/zinc/00/06/05/248000605.db2.gz KZJQKWBHKKWRJP-JKSUJKDBSA-N 2 2 359.474 0.902 20 0 FCADLP Cn1c(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000435626605 248002972 /nfs/dbraw/zinc/00/29/72/248002972.db2.gz LAXUMEAVTNRLRB-INIZCTEOSA-N 2 2 357.458 0.623 20 0 FCADLP Cn1c(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000435626605 248002976 /nfs/dbraw/zinc/00/29/76/248002976.db2.gz LAXUMEAVTNRLRB-INIZCTEOSA-N 2 2 357.458 0.623 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000436055201 248030851 /nfs/dbraw/zinc/03/08/51/248030851.db2.gz RFSUZHXMWBRFOE-HNNXBMFYSA-N 2 2 353.488 0.780 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000436055201 248030856 /nfs/dbraw/zinc/03/08/56/248030856.db2.gz RFSUZHXMWBRFOE-HNNXBMFYSA-N 2 2 353.488 0.780 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000440284436 248170371 /nfs/dbraw/zinc/17/03/71/248170371.db2.gz RSPPNWPAIAVRQK-UHFFFAOYSA-N 2 2 373.501 0.666 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000440284436 248170376 /nfs/dbraw/zinc/17/03/76/248170376.db2.gz RSPPNWPAIAVRQK-UHFFFAOYSA-N 2 2 373.501 0.666 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000440284436 248170378 /nfs/dbraw/zinc/17/03/78/248170378.db2.gz RSPPNWPAIAVRQK-UHFFFAOYSA-N 2 2 373.501 0.666 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000440284436 248170381 /nfs/dbraw/zinc/17/03/81/248170381.db2.gz RSPPNWPAIAVRQK-UHFFFAOYSA-N 2 2 373.501 0.666 20 0 FCADLP C[C@H]1CCNC(=O)[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000441180158 248240861 /nfs/dbraw/zinc/24/08/61/248240861.db2.gz MGMUEZKFNYUZBN-BBRMVZONSA-N 2 2 351.495 0.369 20 0 FCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000441345772 248249557 /nfs/dbraw/zinc/24/95/57/248249557.db2.gz HPQXCBPESCRHOV-KXBFYZLASA-N 2 2 374.485 0.249 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765063 248295171 /nfs/dbraw/zinc/29/51/71/248295171.db2.gz UPWGDAJMSHRMFL-UPJWGTAASA-N 2 2 366.487 0.281 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765063 248295174 /nfs/dbraw/zinc/29/51/74/248295174.db2.gz UPWGDAJMSHRMFL-UPJWGTAASA-N 2 2 366.487 0.281 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444169548 248349868 /nfs/dbraw/zinc/34/98/68/248349868.db2.gz RBLOSVHHVWICFD-YLJYHZDGSA-N 2 2 362.518 0.827 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000446369982 248388365 /nfs/dbraw/zinc/38/83/65/248388365.db2.gz IVYGLTXDRKMHJI-DINLJIAVSA-N 2 2 351.491 0.698 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000271170988 211349326 /nfs/dbraw/zinc/34/93/26/211349326.db2.gz XIJNGVBZUCEXIR-JKSUJKDBSA-N 2 2 362.474 0.891 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000459857130 249762311 /nfs/dbraw/zinc/76/23/11/249762311.db2.gz CGBFSUBNUOOBEH-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000460052080 249841116 /nfs/dbraw/zinc/84/11/16/249841116.db2.gz DEFCYUAZIQRCJU-KRWDZBQOSA-N 2 2 350.507 0.731 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000270527878 211217779 /nfs/dbraw/zinc/21/77/79/211217779.db2.gz UZAYZEOLHPWKMG-SDADXPQNSA-N 2 2 366.462 0.744 20 0 FCADLP CC1(O)CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000470003518 250019288 /nfs/dbraw/zinc/01/92/88/250019288.db2.gz RKPXGMXARFEPOO-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000469725713 250001413 /nfs/dbraw/zinc/00/14/13/250001413.db2.gz PZXMXAJRGACFTN-UHFFFAOYSA-N 2 2 363.462 0.376 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000469725713 250001417 /nfs/dbraw/zinc/00/14/17/250001417.db2.gz PZXMXAJRGACFTN-UHFFFAOYSA-N 2 2 363.462 0.376 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000470964224 250082851 /nfs/dbraw/zinc/08/28/51/250082851.db2.gz VUQDUICXLNKERD-YJBOKZPZSA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000470964224 250082855 /nfs/dbraw/zinc/08/28/55/250082855.db2.gz VUQDUICXLNKERD-YJBOKZPZSA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000470964224 250082860 /nfs/dbraw/zinc/08/28/60/250082860.db2.gz VUQDUICXLNKERD-YJBOKZPZSA-N 2 2 350.507 0.729 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470964224 250082864 /nfs/dbraw/zinc/08/28/64/250082864.db2.gz VUQDUICXLNKERD-YJBOKZPZSA-N 2 2 350.507 0.729 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000471647532 250112096 /nfs/dbraw/zinc/11/20/96/250112096.db2.gz HNXPZIHZPFTKOJ-GOSISDBHSA-N 2 2 364.490 0.937 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000472489863 250152992 /nfs/dbraw/zinc/15/29/92/250152992.db2.gz XYXDBQKPOREEKU-ROUUACIJSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000472489863 250152995 /nfs/dbraw/zinc/15/29/95/250152995.db2.gz XYXDBQKPOREEKU-ROUUACIJSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489863 250152997 /nfs/dbraw/zinc/15/29/97/250152997.db2.gz XYXDBQKPOREEKU-ROUUACIJSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489863 250152999 /nfs/dbraw/zinc/15/29/99/250152999.db2.gz XYXDBQKPOREEKU-ROUUACIJSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000473483884 250233110 /nfs/dbraw/zinc/23/31/10/250233110.db2.gz PLIDNTZJJHWJEU-OAHLLOKOSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000473483884 250233113 /nfs/dbraw/zinc/23/31/13/250233113.db2.gz PLIDNTZJJHWJEU-OAHLLOKOSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000473483884 250233118 /nfs/dbraw/zinc/23/31/18/250233118.db2.gz PLIDNTZJJHWJEU-OAHLLOKOSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000473483884 250233123 /nfs/dbraw/zinc/23/31/23/250233123.db2.gz PLIDNTZJJHWJEU-OAHLLOKOSA-N 2 2 373.501 0.713 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000480879969 250289879 /nfs/dbraw/zinc/28/98/79/250289879.db2.gz LREBMAIVJLBXCP-OLZOCXBDSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000480879969 250289881 /nfs/dbraw/zinc/28/98/81/250289881.db2.gz LREBMAIVJLBXCP-OLZOCXBDSA-N 2 2 357.524 0.775 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000480889777 250292586 /nfs/dbraw/zinc/29/25/86/250292586.db2.gz ADKXQSRCHQTVBF-FZKCQIBNSA-N 2 2 361.490 0.797 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000480889777 250292591 /nfs/dbraw/zinc/29/25/91/250292591.db2.gz ADKXQSRCHQTVBF-FZKCQIBNSA-N 2 2 361.490 0.797 20 0 FCADLP CO[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480905968 250293963 /nfs/dbraw/zinc/29/39/63/250293963.db2.gz JZTKWCHZGNNCHA-HUUCEWRRSA-N 2 2 356.492 0.546 20 0 FCADLP CO[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480905960 250294968 /nfs/dbraw/zinc/29/49/68/250294968.db2.gz JZTKWCHZGNNCHA-CABCVRRESA-N 2 2 356.492 0.546 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000481776741 250358724 /nfs/dbraw/zinc/35/87/24/250358724.db2.gz OBTPDOMQZVGGKA-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000481776741 250358727 /nfs/dbraw/zinc/35/87/27/250358727.db2.gz OBTPDOMQZVGGKA-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000482631768 250396913 /nfs/dbraw/zinc/39/69/13/250396913.db2.gz PDKKBJNGEJVIRN-HOCLYGCPSA-N 2 2 371.503 0.281 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853245 250367366 /nfs/dbraw/zinc/36/73/66/250367366.db2.gz NSWJGSFVGBOOGI-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853245 250367370 /nfs/dbraw/zinc/36/73/70/250367370.db2.gz NSWJGSFVGBOOGI-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000481853245 250367375 /nfs/dbraw/zinc/36/73/75/250367375.db2.gz NSWJGSFVGBOOGI-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000481853245 250367380 /nfs/dbraw/zinc/36/73/80/250367380.db2.gz NSWJGSFVGBOOGI-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+](C)C1 ZINC000413038057 532995843 /nfs/dbraw/zinc/99/58/43/532995843.db2.gz DAADOHAULWMWJH-ZIAGYGMSSA-N 2 2 352.435 0.629 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+](C)C1 ZINC000413038057 532995847 /nfs/dbraw/zinc/99/58/47/532995847.db2.gz DAADOHAULWMWJH-ZIAGYGMSSA-N 2 2 352.435 0.629 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413897012 533002936 /nfs/dbraw/zinc/00/29/36/533002936.db2.gz GZPIXKVSCMXIOW-CQSZACIVSA-N 2 2 374.445 0.399 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413897012 533002941 /nfs/dbraw/zinc/00/29/41/533002941.db2.gz GZPIXKVSCMXIOW-CQSZACIVSA-N 2 2 374.445 0.399 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000167529926 533017235 /nfs/dbraw/zinc/01/72/35/533017235.db2.gz HONMDXRXVZNUPZ-KRWDZBQOSA-N 2 2 359.430 0.862 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073667633 208050297 /nfs/dbraw/zinc/05/02/97/208050297.db2.gz JQPHWPSDIBELQM-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000074064698 208052203 /nfs/dbraw/zinc/05/22/03/208052203.db2.gz LCYCOIDGZSNVSQ-SFHVURJKSA-N 2 2 368.522 0.994 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000083154272 208104413 /nfs/dbraw/zinc/10/44/13/208104413.db2.gz KEGCBEUIFRUJJO-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000083176293 208105212 /nfs/dbraw/zinc/10/52/12/208105212.db2.gz BHQILFLLUNOWMJ-GOSISDBHSA-N 2 2 368.522 0.849 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000106079420 208207028 /nfs/dbraw/zinc/20/70/28/208207028.db2.gz JSPQAQXLSNHOOT-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000106079420 208207035 /nfs/dbraw/zinc/20/70/35/208207035.db2.gz JSPQAQXLSNHOOT-DLBZAZTESA-N 2 2 360.506 0.930 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104887290 208187608 /nfs/dbraw/zinc/18/76/08/208187608.db2.gz POEKDYVQCIFHGZ-IBGZPJMESA-N 2 2 361.486 0.975 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000105064785 208190408 /nfs/dbraw/zinc/19/04/08/208190408.db2.gz ZGHYLYPNDYRKSC-HDICACEKSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000105064785 208190418 /nfs/dbraw/zinc/19/04/18/208190418.db2.gz ZGHYLYPNDYRKSC-HDICACEKSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[N@H+](C)C1CC1 ZINC000105177899 208192327 /nfs/dbraw/zinc/19/23/27/208192327.db2.gz IPOCQTKUDOJAGU-YOEHRIQHSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H](CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[N@@H+](C)C1CC1 ZINC000105177899 208192332 /nfs/dbraw/zinc/19/23/32/208192332.db2.gz IPOCQTKUDOJAGU-YOEHRIQHSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105740019 208204730 /nfs/dbraw/zinc/20/47/30/208204730.db2.gz NQEOODXZFIZQDQ-CABCVRRESA-N 2 2 362.474 0.912 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000112201024 208289941 /nfs/dbraw/zinc/28/99/41/208289941.db2.gz WTODSCSGOKSZFI-HNNXBMFYSA-N 2 2 352.479 0.751 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000112201024 208289947 /nfs/dbraw/zinc/28/99/47/208289947.db2.gz WTODSCSGOKSZFI-HNNXBMFYSA-N 2 2 352.479 0.751 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000119732232 208367462 /nfs/dbraw/zinc/36/74/62/208367462.db2.gz NJCAJEFLYPBTEU-UHFFFAOYSA-N 2 2 359.430 0.958 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843753 208351705 /nfs/dbraw/zinc/35/17/05/208351705.db2.gz ZRMZAZDGKKCFPW-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843753 208351707 /nfs/dbraw/zinc/35/17/07/208351707.db2.gz ZRMZAZDGKKCFPW-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP C[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843753 208351710 /nfs/dbraw/zinc/35/17/10/208351710.db2.gz ZRMZAZDGKKCFPW-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP C[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843753 208351713 /nfs/dbraw/zinc/35/17/13/208351713.db2.gz ZRMZAZDGKKCFPW-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP C[C@@]1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCC[NH2+]C1 ZINC000120289502 208380666 /nfs/dbraw/zinc/38/06/66/208380666.db2.gz KYCJRCKDAUQBOO-FXAWDEMLSA-N 2 2 361.486 0.960 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000119942753 208371063 /nfs/dbraw/zinc/37/10/63/208371063.db2.gz JCJMWLWYJBVDRY-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000119942753 208371069 /nfs/dbraw/zinc/37/10/69/208371069.db2.gz JCJMWLWYJBVDRY-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477475 210342479 /nfs/dbraw/zinc/34/24/79/210342479.db2.gz UKTYKVOFAFFGMA-RBUKOAKNSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477475 210342485 /nfs/dbraw/zinc/34/24/85/210342485.db2.gz UKTYKVOFAFFGMA-RBUKOAKNSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266477475 210342489 /nfs/dbraw/zinc/34/24/89/210342489.db2.gz UKTYKVOFAFFGMA-RBUKOAKNSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266477475 210342493 /nfs/dbraw/zinc/34/24/93/210342493.db2.gz UKTYKVOFAFFGMA-RBUKOAKNSA-N 2 2 360.502 0.640 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2CCOCC2(C)C)nnn1C1CC[NH2+]CC1 ZINC000178762657 209059216 /nfs/dbraw/zinc/05/92/16/209059216.db2.gz TXRCDYMBRHVQFH-UHFFFAOYSA-N 2 2 350.467 0.352 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2CCOCC2(C)C)nnn1C1CC[NH2+]CC1 ZINC000178762657 209059220 /nfs/dbraw/zinc/05/92/20/209059220.db2.gz TXRCDYMBRHVQFH-UHFFFAOYSA-N 2 2 350.467 0.352 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000178733030 209059470 /nfs/dbraw/zinc/05/94/70/209059470.db2.gz YLZPOSPNCRVHNE-RDJZCZTQSA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000178733030 209059473 /nfs/dbraw/zinc/05/94/73/209059473.db2.gz YLZPOSPNCRVHNE-RDJZCZTQSA-N 2 2 365.449 0.804 20 0 FCADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178784215 209061328 /nfs/dbraw/zinc/06/13/28/209061328.db2.gz JLECIOJLMISYCC-ROUUACIJSA-N 2 2 360.527 0.893 20 0 FCADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc12 ZINC000178904420 209066741 /nfs/dbraw/zinc/06/67/41/209066741.db2.gz WFQRANCHXSYFEK-MRXNPFEDSA-N 2 2 372.473 0.299 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413212486 533479727 /nfs/dbraw/zinc/47/97/27/533479727.db2.gz YUHAWVXCMANZMT-HIFRSBDPSA-N 2 2 351.451 0.574 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413212486 533479729 /nfs/dbraw/zinc/47/97/29/533479729.db2.gz YUHAWVXCMANZMT-HIFRSBDPSA-N 2 2 351.451 0.574 20 0 FCADLP CNC(=O)[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)C ZINC000179147892 209074690 /nfs/dbraw/zinc/07/46/90/209074690.db2.gz YZRYTVXUKUPQKV-WFVVYAPDSA-N 2 2 365.522 0.709 20 0 FCADLP CNC(=O)[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)C ZINC000179147892 209074694 /nfs/dbraw/zinc/07/46/94/209074694.db2.gz YZRYTVXUKUPQKV-WFVVYAPDSA-N 2 2 365.522 0.709 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000179320308 209075994 /nfs/dbraw/zinc/07/59/94/209075994.db2.gz JBRVZUCZLNDKII-HZPDHXFCSA-N 2 2 351.495 0.465 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000179405853 209078300 /nfs/dbraw/zinc/07/83/00/209078300.db2.gz GWOIRXQVZGMCNY-KRWDZBQOSA-N 2 2 361.490 0.119 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[C@@H]1C ZINC000179693064 209084999 /nfs/dbraw/zinc/08/49/99/209084999.db2.gz JPPNEDUBXBMXNY-GJZGRUSLSA-N 2 2 371.489 0.990 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[C@@H]1C ZINC000179693064 209085000 /nfs/dbraw/zinc/08/50/00/209085000.db2.gz JPPNEDUBXBMXNY-GJZGRUSLSA-N 2 2 371.489 0.990 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246013589 229277733 /nfs/dbraw/zinc/27/77/33/229277733.db2.gz ZVLCTFFOFJNSND-QLFBSQMISA-N 2 2 368.503 0.366 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246013589 229277737 /nfs/dbraw/zinc/27/77/37/229277737.db2.gz ZVLCTFFOFJNSND-QLFBSQMISA-N 2 2 368.503 0.366 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000377763069 230002874 /nfs/dbraw/zinc/00/28/74/230002874.db2.gz RIRMYZAPERKAOI-KRWDZBQOSA-N 3 2 367.538 0.565 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000377763069 230002879 /nfs/dbraw/zinc/00/28/79/230002879.db2.gz RIRMYZAPERKAOI-KRWDZBQOSA-N 3 2 367.538 0.565 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000410519223 230116458 /nfs/dbraw/zinc/11/64/58/230116458.db2.gz QYGGOMQNANIGCR-QGZVFWFLSA-N 2 2 370.538 0.743 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC000410519223 230116462 /nfs/dbraw/zinc/11/64/62/230116462.db2.gz QYGGOMQNANIGCR-QGZVFWFLSA-N 2 2 370.538 0.743 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000410521924 230119760 /nfs/dbraw/zinc/11/97/60/230119760.db2.gz CRKGLTJRMWHYEF-CVEARBPZSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000410521924 230119763 /nfs/dbraw/zinc/11/97/63/230119763.db2.gz CRKGLTJRMWHYEF-CVEARBPZSA-N 2 2 359.474 0.508 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410591551 230146357 /nfs/dbraw/zinc/14/63/57/230146357.db2.gz WDSPEMJDHCOXLJ-IKGGRYGDSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410591551 230146361 /nfs/dbraw/zinc/14/63/61/230146361.db2.gz WDSPEMJDHCOXLJ-IKGGRYGDSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699461 230197475 /nfs/dbraw/zinc/19/74/75/230197475.db2.gz HHFLVKMLYVWMMW-DLBZAZTESA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699461 230197481 /nfs/dbraw/zinc/19/74/81/230197481.db2.gz HHFLVKMLYVWMMW-DLBZAZTESA-N 2 2 358.486 0.882 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000410705083 230202393 /nfs/dbraw/zinc/20/23/93/230202393.db2.gz NYCDTAAVXCOOSO-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000410785178 230249135 /nfs/dbraw/zinc/24/91/35/230249135.db2.gz SSKBSLGORHWOGU-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000410785178 230249139 /nfs/dbraw/zinc/24/91/39/230249139.db2.gz SSKBSLGORHWOGU-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932623542 674204554 /nfs/dbraw/zinc/20/45/54/674204554.db2.gz ZYRKFYXXZKEXLT-DZGCQCFKSA-N 2 2 370.519 0.803 20 0 FCADLP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932623542 674204556 /nfs/dbraw/zinc/20/45/56/674204556.db2.gz ZYRKFYXXZKEXLT-DZGCQCFKSA-N 2 2 370.519 0.803 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933065919 674241660 /nfs/dbraw/zinc/24/16/60/674241660.db2.gz LKVSUEKHDJMEKA-TVFCKZIOSA-N 2 2 351.491 0.951 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000933065919 674241662 /nfs/dbraw/zinc/24/16/62/674241662.db2.gz LKVSUEKHDJMEKA-TVFCKZIOSA-N 2 2 351.491 0.951 20 0 FCADLP COCC1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[NH2+]CC1 ZINC000479228140 484305770 /nfs/dbraw/zinc/30/57/70/484305770.db2.gz QLPNWDZKRDQRCV-UHFFFAOYSA-N 2 2 351.451 0.170 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000301224217 488877896 /nfs/dbraw/zinc/87/78/96/488877896.db2.gz ATYOLDKIKKOTFG-OAHLLOKOSA-N 2 2 367.519 0.548 20 0 FCADLP Nc1nc(-n2cccn2)cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)[nH+]1 ZINC000301641696 488882821 /nfs/dbraw/zinc/88/28/21/488882821.db2.gz NOUIRYJQGQFDJX-INIZCTEOSA-N 2 2 361.475 0.864 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794823 491189492 /nfs/dbraw/zinc/18/94/92/491189492.db2.gz ROFRKPBQTBQOEL-UKRRQHHQSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+]1CCc2sccc2C1 ZINC000562794823 491189493 /nfs/dbraw/zinc/18/94/93/491189493.db2.gz ROFRKPBQTBQOEL-UKRRQHHQSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000562794823 491189496 /nfs/dbraw/zinc/18/94/96/491189496.db2.gz ROFRKPBQTBQOEL-UKRRQHHQSA-N 3 2 351.520 0.779 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000562794823 491189497 /nfs/dbraw/zinc/18/94/97/491189497.db2.gz ROFRKPBQTBQOEL-UKRRQHHQSA-N 3 2 351.520 0.779 20 0 FCADLP COc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000325626218 488911011 /nfs/dbraw/zinc/91/10/11/488911011.db2.gz UJUWSCXTZIBHPU-LBPRGKRZSA-N 2 2 356.854 0.287 20 0 FCADLP COc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000325626218 488911013 /nfs/dbraw/zinc/91/10/13/488911013.db2.gz UJUWSCXTZIBHPU-LBPRGKRZSA-N 2 2 356.854 0.287 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000287840442 488912373 /nfs/dbraw/zinc/91/23/73/488912373.db2.gz LWSHZBOBLAWFPT-RHSMWYFYSA-N 2 2 362.478 0.866 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000287840442 488912370 /nfs/dbraw/zinc/91/23/70/488912370.db2.gz LWSHZBOBLAWFPT-RHSMWYFYSA-N 2 2 362.478 0.866 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000278964393 488908069 /nfs/dbraw/zinc/90/80/69/488908069.db2.gz YOQNMVBUYAPXJY-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000278964393 488908070 /nfs/dbraw/zinc/90/80/70/488908070.db2.gz YOQNMVBUYAPXJY-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CC1(C)C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000364017019 488913347 /nfs/dbraw/zinc/91/33/47/488913347.db2.gz ZFFCIBXOKHJPOF-INIZCTEOSA-N 2 2 353.507 0.840 20 0 FCADLP CC1(C)C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1O ZINC000364017019 488913351 /nfs/dbraw/zinc/91/33/51/488913351.db2.gz ZFFCIBXOKHJPOF-INIZCTEOSA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)Nc1nc(CCNC(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC000279159836 488921615 /nfs/dbraw/zinc/92/16/15/488921615.db2.gz FVIUCFXJAJTIGH-KBPBESRZSA-N 2 2 365.503 0.929 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)Nc1nc(CCNC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC000279159836 488921616 /nfs/dbraw/zinc/92/16/16/488921616.db2.gz FVIUCFXJAJTIGH-KBPBESRZSA-N 2 2 365.503 0.929 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NCCc1csc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000279159836 488921617 /nfs/dbraw/zinc/92/16/17/488921617.db2.gz FVIUCFXJAJTIGH-KBPBESRZSA-N 2 2 365.503 0.929 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NCCc1csc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000279159836 488921618 /nfs/dbraw/zinc/92/16/18/488921618.db2.gz FVIUCFXJAJTIGH-KBPBESRZSA-N 2 2 365.503 0.929 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000288185359 488954245 /nfs/dbraw/zinc/95/42/45/488954245.db2.gz RLZQQAHGBJPMID-SFHVURJKSA-N 2 2 374.485 0.034 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000288185359 488954250 /nfs/dbraw/zinc/95/42/50/488954250.db2.gz RLZQQAHGBJPMID-SFHVURJKSA-N 2 2 374.485 0.034 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000042897015 487883012 /nfs/dbraw/zinc/88/30/12/487883012.db2.gz QAQILBHQSUBRFH-UHFFFAOYSA-N 2 2 364.494 0.859 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000042897015 487883015 /nfs/dbraw/zinc/88/30/15/487883015.db2.gz QAQILBHQSUBRFH-UHFFFAOYSA-N 2 2 364.494 0.859 20 0 FCADLP O=C(NCC[NH+]1CCCCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000045196413 487933284 /nfs/dbraw/zinc/93/32/84/487933284.db2.gz HXBQPCUNYOJJHY-KRWDZBQOSA-N 2 2 356.536 0.979 20 0 FCADLP O=C(NCC[NH+]1CCCCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000045196410 487933681 /nfs/dbraw/zinc/93/36/81/487933681.db2.gz HXBQPCUNYOJJHY-QGZVFWFLSA-N 2 2 356.536 0.979 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000045546561 487943537 /nfs/dbraw/zinc/94/35/37/487943537.db2.gz OYTLIKIFBXSYJH-UHFFFAOYSA-N 2 2 362.474 0.650 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000047597706 488037962 /nfs/dbraw/zinc/03/79/62/488037962.db2.gz XYYILFQRIZFBIR-INIZCTEOSA-N 2 2 353.492 0.780 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(CC(=O)N(C)C)CC3)c2cc1C ZINC000051127108 488123775 /nfs/dbraw/zinc/12/37/75/488123775.db2.gz INLYHCNEEFMJJB-KRWDZBQOSA-N 2 2 373.501 0.720 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000051759082 488142667 /nfs/dbraw/zinc/14/26/67/488142667.db2.gz UZEATVSXQLHCGK-UHFFFAOYSA-N 3 2 367.538 0.519 20 0 FCADLP Cc1cccc(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000051768083 488146411 /nfs/dbraw/zinc/14/64/11/488146411.db2.gz BIDSTJJACHMJCU-UHFFFAOYSA-N 2 2 352.504 0.605 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119604 488971199 /nfs/dbraw/zinc/97/11/99/488971199.db2.gz VLFPNEGPQSECNB-HOTGVXAUSA-N 2 2 362.478 0.916 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329119604 488971201 /nfs/dbraw/zinc/97/12/01/488971201.db2.gz VLFPNEGPQSECNB-HOTGVXAUSA-N 2 2 362.478 0.916 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1csc(CC[NH3+])n1 ZINC000279861687 488972054 /nfs/dbraw/zinc/97/20/54/488972054.db2.gz BNEKVBWXHHZJNV-AWEZNQCLSA-N 2 2 374.514 0.980 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000066915764 488340166 /nfs/dbraw/zinc/34/01/66/488340166.db2.gz VWDVAQOKGHSVRK-MPGHIAIKSA-N 2 2 368.522 0.447 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000066982364 488342087 /nfs/dbraw/zinc/34/20/87/488342087.db2.gz ODRUHTBSDUMFKZ-UHFFFAOYSA-N 2 2 357.462 0.919 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccccc1 ZINC000073440793 488384629 /nfs/dbraw/zinc/38/46/29/488384629.db2.gz MWTKNCYRKWDLSG-HKUYNNGSSA-N 2 2 364.490 0.672 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000073667266 488385651 /nfs/dbraw/zinc/38/56/51/488385651.db2.gz UJCVBHTUAMTGRM-ROUUACIJSA-N 3 2 369.554 0.765 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000073667266 488385652 /nfs/dbraw/zinc/38/56/52/488385652.db2.gz UJCVBHTUAMTGRM-ROUUACIJSA-N 3 2 369.554 0.765 20 0 FCADLP C[C@@](O)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000073719549 488386132 /nfs/dbraw/zinc/38/61/32/488386132.db2.gz BZUWOHFYPJNSHS-GOSISDBHSA-N 2 2 365.478 0.144 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000073717342 488386157 /nfs/dbraw/zinc/38/61/57/488386157.db2.gz BELXGWFTAIDKDR-MRXNPFEDSA-N 2 2 365.522 0.666 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000073717342 488386158 /nfs/dbraw/zinc/38/61/58/488386158.db2.gz BELXGWFTAIDKDR-MRXNPFEDSA-N 2 2 365.522 0.666 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000073778561 488386178 /nfs/dbraw/zinc/38/61/78/488386178.db2.gz BLXMSVPJBMEJSL-INIZCTEOSA-N 2 2 361.494 0.382 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000073778561 488386179 /nfs/dbraw/zinc/38/61/79/488386179.db2.gz BLXMSVPJBMEJSL-INIZCTEOSA-N 2 2 361.494 0.382 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073797203 488386551 /nfs/dbraw/zinc/38/65/51/488386551.db2.gz CODXFEKDGNRSRB-IRXDYDNUSA-N 2 2 361.490 0.429 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073797203 488386552 /nfs/dbraw/zinc/38/65/52/488386552.db2.gz CODXFEKDGNRSRB-IRXDYDNUSA-N 2 2 361.490 0.429 20 0 FCADLP CNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000074214798 488388960 /nfs/dbraw/zinc/38/89/60/488388960.db2.gz ZTBGINCOJCXLOZ-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1=O ZINC000074198041 488389058 /nfs/dbraw/zinc/38/90/58/488389058.db2.gz YZNGSEINHIVQQQ-HNNXBMFYSA-N 2 2 356.430 0.294 20 0 FCADLP C[C@H](CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182667623 488389333 /nfs/dbraw/zinc/38/93/33/488389333.db2.gz FUEXYZVBIJQVDQ-IAGOWNOFSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+]1C ZINC000554335523 491195341 /nfs/dbraw/zinc/19/53/41/491195341.db2.gz LZBJPSWIYQJBNQ-WCXIOVBPSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+]1C ZINC000554335523 491195343 /nfs/dbraw/zinc/19/53/43/491195343.db2.gz LZBJPSWIYQJBNQ-WCXIOVBPSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000184824855 488398594 /nfs/dbraw/zinc/39/85/94/488398594.db2.gz ABSVHKHDKIQHSP-LSDHHAIUSA-N 2 2 357.462 0.866 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185363015 488400633 /nfs/dbraw/zinc/40/06/33/488400633.db2.gz KFQVXRIDKHAIPM-KRWDZBQOSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185363015 488400636 /nfs/dbraw/zinc/40/06/36/488400636.db2.gz KFQVXRIDKHAIPM-KRWDZBQOSA-N 2 2 368.570 0.338 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000076410722 488404251 /nfs/dbraw/zinc/40/42/51/488404251.db2.gz WPGUGXUTPWIWAF-IBGZPJMESA-N 2 2 360.502 0.732 20 0 FCADLP Nc1nc(-n2cccn2)cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)[nH+]1 ZINC000268377212 488412862 /nfs/dbraw/zinc/41/28/62/488412862.db2.gz IQNSTTTVXALJJV-UHFFFAOYSA-N 2 2 370.461 0.379 20 0 FCADLP Nc1nc(-n2cccn2)cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)[nH+]1 ZINC000268377212 488412864 /nfs/dbraw/zinc/41/28/64/488412864.db2.gz IQNSTTTVXALJJV-UHFFFAOYSA-N 2 2 370.461 0.379 20 0 FCADLP CCc1ccccc1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000188834755 488413620 /nfs/dbraw/zinc/41/36/20/488413620.db2.gz OEWHHNBQQATSER-UHFFFAOYSA-N 2 2 366.531 0.859 20 0 FCADLP CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000569833902 491196686 /nfs/dbraw/zinc/19/66/86/491196686.db2.gz HFERHBKLVJJCTO-JKSUJKDBSA-N 2 2 352.504 0.592 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189409757 488414885 /nfs/dbraw/zinc/41/48/85/488414885.db2.gz ILMWAMPOBOIGMN-DLBZAZTESA-N 2 2 361.490 0.117 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000077644347 488416245 /nfs/dbraw/zinc/41/62/45/488416245.db2.gz VGWUISSIYLQYLQ-GOSISDBHSA-N 2 2 367.538 0.520 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000077644347 488416248 /nfs/dbraw/zinc/41/62/48/488416248.db2.gz VGWUISSIYLQYLQ-GOSISDBHSA-N 2 2 367.538 0.520 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077745934 488417135 /nfs/dbraw/zinc/41/71/35/488417135.db2.gz KQEQSSPPVCNZBP-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CCO[C@@H]1C[C@](O)(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000191296340 488419291 /nfs/dbraw/zinc/41/92/91/488419291.db2.gz RXPSUOSIDITRCV-APWZRJJASA-N 2 2 370.538 0.878 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000078485062 488422617 /nfs/dbraw/zinc/42/26/17/488422617.db2.gz NURSXXDTTHTNRV-CQSZACIVSA-N 2 2 351.451 0.392 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078505062 488422671 /nfs/dbraw/zinc/42/26/71/488422671.db2.gz BDKWPVOMCPONSF-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078505062 488422673 /nfs/dbraw/zinc/42/26/73/488422673.db2.gz BDKWPVOMCPONSF-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000078505237 488422799 /nfs/dbraw/zinc/42/27/99/488422799.db2.gz WFXRNWPKFHOSAH-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+]1CCN(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000078605084 488423525 /nfs/dbraw/zinc/42/35/25/488423525.db2.gz JQZIKXZJBUWCHS-UHFFFAOYSA-N 2 2 373.501 0.453 20 0 FCADLP CC(C)NC(=O)C(=O)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192715412 488424218 /nfs/dbraw/zinc/42/42/18/488424218.db2.gz SAADOINGDIBXEZ-UHFFFAOYSA-N 2 2 367.538 0.071 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000192814334 488424535 /nfs/dbraw/zinc/42/45/35/488424535.db2.gz AYMOGGHGGZDHCB-IAGOWNOFSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000192814334 488424537 /nfs/dbraw/zinc/42/45/37/488424537.db2.gz AYMOGGHGGZDHCB-IAGOWNOFSA-N 2 2 364.490 0.311 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000193419174 488427382 /nfs/dbraw/zinc/42/73/82/488427382.db2.gz WBZFTHZHHSBGAX-UHFFFAOYSA-N 2 2 374.489 0.073 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000079167890 488427683 /nfs/dbraw/zinc/42/76/83/488427683.db2.gz OGQIBSGGMDVPCB-UHFFFAOYSA-N 2 2 360.506 0.939 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000080036598 488433453 /nfs/dbraw/zinc/43/34/53/488433453.db2.gz MCPNEYASINGYIW-DLBZAZTESA-N 2 2 373.505 0.525 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000080036598 488433455 /nfs/dbraw/zinc/43/34/55/488433455.db2.gz MCPNEYASINGYIW-DLBZAZTESA-N 2 2 373.505 0.525 20 0 FCADLP Cc1ccn2cc(CNC(=O)NCCC(=O)N3CC[NH+](C)CC3)[nH+]c2c1 ZINC000080103460 488433989 /nfs/dbraw/zinc/43/39/89/488433989.db2.gz XNFOXFMBMDFXQO-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccs1 ZINC000080565914 488436333 /nfs/dbraw/zinc/43/63/33/488436333.db2.gz VDIKBXPRJOSQJC-RHSMWYFYSA-N 2 2 370.519 0.733 20 0 FCADLP C[C@](O)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C[NH+]1CCOCC1 ZINC000080898248 488438373 /nfs/dbraw/zinc/43/83/73/488438373.db2.gz IZMUOGIPOWNUGF-IBGZPJMESA-N 2 2 358.442 0.744 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634494 488443603 /nfs/dbraw/zinc/44/36/03/488443603.db2.gz LEGPLZLTBURUMO-DJIMGWMZSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634494 488443604 /nfs/dbraw/zinc/44/36/04/488443604.db2.gz LEGPLZLTBURUMO-DJIMGWMZSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634494 488443607 /nfs/dbraw/zinc/44/36/07/488443607.db2.gz LEGPLZLTBURUMO-DJIMGWMZSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634494 488443608 /nfs/dbraw/zinc/44/36/08/488443608.db2.gz LEGPLZLTBURUMO-DJIMGWMZSA-N 2 2 350.507 0.763 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083002420 488446507 /nfs/dbraw/zinc/44/65/07/488446507.db2.gz MZOOJNIYHHXXJV-WMZOPIPTSA-N 2 2 353.507 0.793 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083002420 488446510 /nfs/dbraw/zinc/44/65/10/488446510.db2.gz MZOOJNIYHHXXJV-WMZOPIPTSA-N 2 2 353.507 0.793 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083735104 488448420 /nfs/dbraw/zinc/44/84/20/488448420.db2.gz DCZPOLHJAZWSJJ-OAHLLOKOSA-N 2 2 365.526 0.559 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083735104 488448422 /nfs/dbraw/zinc/44/84/22/488448422.db2.gz DCZPOLHJAZWSJJ-OAHLLOKOSA-N 2 2 365.526 0.559 20 0 FCADLP CC1CC[NH+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000236633777 488453219 /nfs/dbraw/zinc/45/32/19/488453219.db2.gz QDPPMKYIOWIBEC-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000236597164 488453411 /nfs/dbraw/zinc/45/34/11/488453411.db2.gz FGSOKCDYQOTCAZ-UHFFFAOYSA-N 2 2 350.438 0.685 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000086991112 488453440 /nfs/dbraw/zinc/45/34/40/488453440.db2.gz ABTPJGWJCAZJIP-HOTGVXAUSA-N 2 2 362.478 0.610 20 0 FCADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](CCO)CC1 ZINC000087084225 488454062 /nfs/dbraw/zinc/45/40/62/488454062.db2.gz KFWKKYWOHYLKNW-UHFFFAOYSA-N 2 2 360.502 0.725 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc[nH+]1 ZINC000237193594 488455059 /nfs/dbraw/zinc/45/50/59/488455059.db2.gz WNDDRMXBNDRNHW-QGZVFWFLSA-N 2 2 366.469 0.906 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237421794 488455753 /nfs/dbraw/zinc/45/57/53/488455753.db2.gz CGCSROGKLFNJQB-ZBFHGGJFSA-N 2 2 368.547 0.673 20 0 FCADLP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C[C@H](C)O1 ZINC000237630498 488456078 /nfs/dbraw/zinc/45/60/78/488456078.db2.gz FSNHOKPYWKIKRF-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP Cc1cc(NC(=O)CN2CC[NH2+]CC2=O)ccc1OCC[NH+]1CCCC1 ZINC000237704195 488456604 /nfs/dbraw/zinc/45/66/04/488456604.db2.gz XMTBQXTYIIAXFA-UHFFFAOYSA-N 2 2 360.458 0.840 20 0 FCADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CC[NH2+]CC3=O)n2)C1 ZINC000237676969 488456644 /nfs/dbraw/zinc/45/66/44/488456644.db2.gz FWHLWLKZAOZESL-LBPRGKRZSA-N 2 2 351.476 0.745 20 0 FCADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CC[NH2+]CC3=O)n2)C1 ZINC000237676969 488456646 /nfs/dbraw/zinc/45/66/46/488456646.db2.gz FWHLWLKZAOZESL-LBPRGKRZSA-N 2 2 351.476 0.745 20 0 FCADLP [NH3+]CC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000238050545 488458136 /nfs/dbraw/zinc/45/81/36/488458136.db2.gz DUOQAUKTEWOXLQ-UHFFFAOYSA-N 2 2 359.474 0.756 20 0 FCADLP [NH3+][C@H]1CCN(C(=O)CS(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000238060160 488458225 /nfs/dbraw/zinc/45/82/25/488458225.db2.gz MHLHCOBALSZKFF-AWEZNQCLSA-N 2 2 366.487 0.978 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268944148 488458527 /nfs/dbraw/zinc/45/85/27/488458527.db2.gz UALFXYAHQGKJLE-XJKSGUPXSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268944148 488458529 /nfs/dbraw/zinc/45/85/29/488458529.db2.gz UALFXYAHQGKJLE-XJKSGUPXSA-N 2 2 368.503 0.585 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000238108297 488458669 /nfs/dbraw/zinc/45/86/69/488458669.db2.gz NQLLCWNMFOCZJZ-AWEZNQCLSA-N 2 2 350.488 0.508 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000238108297 488458672 /nfs/dbraw/zinc/45/86/72/488458672.db2.gz NQLLCWNMFOCZJZ-AWEZNQCLSA-N 2 2 350.488 0.508 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245407264 488463833 /nfs/dbraw/zinc/46/38/33/488463833.db2.gz ALMWVJHOZSSYOS-CVEARBPZSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245407264 488463834 /nfs/dbraw/zinc/46/38/34/488463834.db2.gz ALMWVJHOZSSYOS-CVEARBPZSA-N 2 2 359.474 0.706 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246347856 488472196 /nfs/dbraw/zinc/47/21/96/488472196.db2.gz FJFKLDAFIHBWGS-QZTJIDSGSA-N 2 2 370.538 0.689 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246347856 488472198 /nfs/dbraw/zinc/47/21/98/488472198.db2.gz FJFKLDAFIHBWGS-QZTJIDSGSA-N 2 2 370.538 0.689 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000246465650 488473153 /nfs/dbraw/zinc/47/31/53/488473153.db2.gz ZEZGQNNFACCACM-HNNXBMFYSA-N 2 2 362.540 0.046 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000246465650 488473155 /nfs/dbraw/zinc/47/31/55/488473155.db2.gz ZEZGQNNFACCACM-HNNXBMFYSA-N 2 2 362.540 0.046 20 0 FCADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093256704 488479225 /nfs/dbraw/zinc/47/92/25/488479225.db2.gz XFMZUTQMTRJAEQ-UHFFFAOYSA-N 3 2 354.539 0.831 20 0 FCADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093256704 488479227 /nfs/dbraw/zinc/47/92/27/488479227.db2.gz XFMZUTQMTRJAEQ-UHFFFAOYSA-N 3 2 354.539 0.831 20 0 FCADLP CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000247028023 488480464 /nfs/dbraw/zinc/48/04/64/488480464.db2.gz UUNBNCIUNKBUIC-FUHWJXTLSA-N 2 2 373.501 0.919 20 0 FCADLP CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000247028023 488480466 /nfs/dbraw/zinc/48/04/66/488480466.db2.gz UUNBNCIUNKBUIC-FUHWJXTLSA-N 2 2 373.501 0.919 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](C)[NH3+])cc2)CC1 ZINC000269267052 488484586 /nfs/dbraw/zinc/48/45/86/488484586.db2.gz ZRRQLTVSPUNECB-HNNXBMFYSA-N 2 2 362.474 0.235 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247592257 488488218 /nfs/dbraw/zinc/48/82/18/488488218.db2.gz JSPQAQXLSNHOOT-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247592257 488488219 /nfs/dbraw/zinc/48/82/19/488488219.db2.gz JSPQAQXLSNHOOT-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000247592245 488488323 /nfs/dbraw/zinc/48/83/23/488488323.db2.gz NMJHLHILKQMFDN-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000247592245 488488325 /nfs/dbraw/zinc/48/83/25/488488325.db2.gz NMJHLHILKQMFDN-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649505 488500332 /nfs/dbraw/zinc/50/03/32/488500332.db2.gz LFJONWBYHWREFG-QZTJIDSGSA-N 2 2 373.501 0.559 20 0 FCADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649505 488500335 /nfs/dbraw/zinc/50/03/35/488500335.db2.gz LFJONWBYHWREFG-QZTJIDSGSA-N 2 2 373.501 0.559 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000248649505 488500340 /nfs/dbraw/zinc/50/03/40/488500340.db2.gz LFJONWBYHWREFG-QZTJIDSGSA-N 2 2 373.501 0.559 20 0 FCADLP C[NH+]1CCC(CCNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000103320370 488500856 /nfs/dbraw/zinc/50/08/56/488500856.db2.gz GHIMDLZVPDZKSU-UHFFFAOYSA-N 2 2 365.522 0.668 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000248750485 488502675 /nfs/dbraw/zinc/50/26/75/488502675.db2.gz GHNLHXWWSNTJHR-CABCVRRESA-N 2 2 370.519 0.849 20 0 FCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000248750485 488502676 /nfs/dbraw/zinc/50/26/76/488502676.db2.gz GHNLHXWWSNTJHR-CABCVRRESA-N 2 2 370.519 0.849 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000103512104 488502752 /nfs/dbraw/zinc/50/27/52/488502752.db2.gz SZJVIFIRINNYPE-INIZCTEOSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1CO ZINC000248900414 488504179 /nfs/dbraw/zinc/50/41/79/488504179.db2.gz HFSOOBKPKIKWHZ-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1CO ZINC000248900414 488504181 /nfs/dbraw/zinc/50/41/81/488504181.db2.gz HFSOOBKPKIKWHZ-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C1CC1 ZINC000104801475 488505947 /nfs/dbraw/zinc/50/59/47/488505947.db2.gz VHERRXNULYQKSK-CQSZACIVSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000104806662 488505978 /nfs/dbraw/zinc/50/59/78/488505978.db2.gz RYGIBHKNGOUBDT-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000104806662 488505980 /nfs/dbraw/zinc/50/59/80/488505980.db2.gz RYGIBHKNGOUBDT-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP CCOCC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000106386535 488513448 /nfs/dbraw/zinc/51/34/48/488513448.db2.gz OTYJLKFPZMIYRJ-HCXYKTFWSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000106386535 488513451 /nfs/dbraw/zinc/51/34/51/488513451.db2.gz OTYJLKFPZMIYRJ-HCXYKTFWSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000106386535 488513452 /nfs/dbraw/zinc/51/34/52/488513452.db2.gz OTYJLKFPZMIYRJ-HCXYKTFWSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CC ZINC000106386535 488513454 /nfs/dbraw/zinc/51/34/54/488513454.db2.gz OTYJLKFPZMIYRJ-HCXYKTFWSA-N 2 2 357.539 0.889 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)c2ccccc2)CC1 ZINC000106403516 488514401 /nfs/dbraw/zinc/51/44/01/488514401.db2.gz QPIDILYPRKIZJX-LJQANCHMSA-N 2 2 374.529 0.890 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106523784 488515104 /nfs/dbraw/zinc/51/51/04/488515104.db2.gz UKQQAGCFGXETQP-YESZJQIVSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106523784 488515105 /nfs/dbraw/zinc/51/51/05/488515105.db2.gz UKQQAGCFGXETQP-YESZJQIVSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106523784 488515106 /nfs/dbraw/zinc/51/51/06/488515106.db2.gz UKQQAGCFGXETQP-YESZJQIVSA-N 2 2 369.554 0.809 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106523784 488515108 /nfs/dbraw/zinc/51/51/08/488515108.db2.gz UKQQAGCFGXETQP-YESZJQIVSA-N 2 2 369.554 0.809 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108562672 488519568 /nfs/dbraw/zinc/51/95/68/488519568.db2.gz VAHDOHDWVBVXGA-SJLPKXTDSA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108562672 488519569 /nfs/dbraw/zinc/51/95/69/488519569.db2.gz VAHDOHDWVBVXGA-SJLPKXTDSA-N 2 2 368.547 0.978 20 0 FCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000109788693 488524305 /nfs/dbraw/zinc/52/43/05/488524305.db2.gz PBPSSQMSTKQPQW-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000109788693 488524307 /nfs/dbraw/zinc/52/43/07/488524307.db2.gz PBPSSQMSTKQPQW-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP C[NH+]1CCN(CC(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000111575663 488530150 /nfs/dbraw/zinc/53/01/50/488530150.db2.gz GSQAXNBOMBROPV-UHFFFAOYSA-N 2 2 373.501 0.189 20 0 FCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608644 488530914 /nfs/dbraw/zinc/53/09/14/488530914.db2.gz ALGYWLMHXYCEPW-DOMZBBRYSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608644 488530916 /nfs/dbraw/zinc/53/09/16/488530916.db2.gz ALGYWLMHXYCEPW-DOMZBBRYSA-N 2 2 354.476 0.324 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000114163809 488539581 /nfs/dbraw/zinc/53/95/81/488539581.db2.gz BBXHFJFLVJBEFD-MRXNPFEDSA-N 2 2 359.474 0.136 20 0 FCADLP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000114602553 488541869 /nfs/dbraw/zinc/54/18/69/488541869.db2.gz CTHMHNIHKCGPFK-GOSISDBHSA-N 2 2 367.538 0.256 20 0 FCADLP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000114602553 488541870 /nfs/dbraw/zinc/54/18/70/488541870.db2.gz CTHMHNIHKCGPFK-GOSISDBHSA-N 2 2 367.538 0.256 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119252773 488556524 /nfs/dbraw/zinc/55/65/24/488556524.db2.gz KTYQTDMXXMEUQE-IAGOWNOFSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119252773 488556527 /nfs/dbraw/zinc/55/65/27/488556527.db2.gz KTYQTDMXXMEUQE-IAGOWNOFSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000119580419 488557727 /nfs/dbraw/zinc/55/77/27/488557727.db2.gz PBNBTQCHUAOIQD-QGZVFWFLSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000262231799 488558437 /nfs/dbraw/zinc/55/84/37/488558437.db2.gz KHYOJKDEBFCPKD-PBHICJAKSA-N 2 2 360.458 0.067 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000262266071 488560050 /nfs/dbraw/zinc/56/00/50/488560050.db2.gz YBBTURCZRGEJGK-JKSUJKDBSA-N 2 2 361.421 0.864 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000120252598 488560960 /nfs/dbraw/zinc/56/09/60/488560960.db2.gz XGGYONJBILVDAR-JKSUJKDBSA-N 2 2 374.489 0.547 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000120252598 488560962 /nfs/dbraw/zinc/56/09/62/488560962.db2.gz XGGYONJBILVDAR-JKSUJKDBSA-N 2 2 374.489 0.547 20 0 FCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000121243493 488565564 /nfs/dbraw/zinc/56/55/64/488565564.db2.gz CDDYRAUTWXOYMB-KRWDZBQOSA-N 2 2 363.506 0.837 20 0 FCADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000562986143 491206090 /nfs/dbraw/zinc/20/60/90/491206090.db2.gz ADDCOQHCEJDRGU-INIZCTEOSA-N 2 2 355.504 0.918 20 0 FCADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000562986143 491206093 /nfs/dbraw/zinc/20/60/93/491206093.db2.gz ADDCOQHCEJDRGU-INIZCTEOSA-N 2 2 355.504 0.918 20 0 FCADLP COC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000262366519 488566660 /nfs/dbraw/zinc/56/66/60/488566660.db2.gz WDPCGKLRALJPKB-AWEZNQCLSA-N 2 2 351.838 0.606 20 0 FCADLP COC[C@H]([NH3+])C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000262374658 488566842 /nfs/dbraw/zinc/56/68/42/488566842.db2.gz MELUGEWGGLIVNY-AWEZNQCLSA-N 2 2 368.409 0.399 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000262444560 488570507 /nfs/dbraw/zinc/57/05/07/488570507.db2.gz VGJXSTMRDAXVLM-OAHLLOKOSA-N 2 2 371.478 0.711 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000121824264 488571833 /nfs/dbraw/zinc/57/18/33/488571833.db2.gz MJXYOEMWOSYEDP-GOSISDBHSA-N 2 2 351.539 0.996 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nnc[nH]1 ZINC000272299995 488571950 /nfs/dbraw/zinc/57/19/50/488571950.db2.gz CXPLYVYKDYLMTG-CQSZACIVSA-N 2 2 358.450 0.772 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000121863487 488572257 /nfs/dbraw/zinc/57/22/57/488572257.db2.gz MILQZFLVJSTZNY-UHFFFAOYSA-N 2 2 355.527 0.816 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000121863487 488572258 /nfs/dbraw/zinc/57/22/58/488572258.db2.gz MILQZFLVJSTZNY-UHFFFAOYSA-N 2 2 355.527 0.816 20 0 FCADLP CC(C)C(=O)N1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000123583203 488586244 /nfs/dbraw/zinc/58/62/44/488586244.db2.gz LPGQQLNIYKYRDM-UHFFFAOYSA-N 2 2 360.506 0.919 20 0 FCADLP CC(C)C(=O)N1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000123583203 488586245 /nfs/dbraw/zinc/58/62/45/488586245.db2.gz LPGQQLNIYKYRDM-UHFFFAOYSA-N 2 2 360.506 0.919 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C1 ZINC000262793371 488593484 /nfs/dbraw/zinc/59/34/84/488593484.db2.gz OZHNEFTZUPKUOM-QGZVFWFLSA-N 2 2 350.463 0.605 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C1 ZINC000262793371 488593488 /nfs/dbraw/zinc/59/34/88/488593488.db2.gz OZHNEFTZUPKUOM-QGZVFWFLSA-N 2 2 350.463 0.605 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000125309696 488599984 /nfs/dbraw/zinc/59/99/84/488599984.db2.gz GPCGHOSLJHALFW-UHFFFAOYSA-N 2 2 357.462 0.782 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000125979753 488606033 /nfs/dbraw/zinc/60/60/33/488606033.db2.gz OQLHOCWYRBPXFO-UHFFFAOYSA-N 2 2 361.450 0.966 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000126033969 488606631 /nfs/dbraw/zinc/60/66/31/488606631.db2.gz DNZUOMUWBKMLIW-PBHICJAKSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000126033969 488606632 /nfs/dbraw/zinc/60/66/32/488606632.db2.gz DNZUOMUWBKMLIW-PBHICJAKSA-N 2 2 363.506 0.465 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000263229791 488606951 /nfs/dbraw/zinc/60/69/51/488606951.db2.gz NFNCQLVLHWIQAW-MRXNPFEDSA-N 2 2 368.522 0.452 20 0 FCADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263247433 488607548 /nfs/dbraw/zinc/60/75/48/488607548.db2.gz NNZRXYBFCUUPKP-SFHVURJKSA-N 2 2 362.474 0.865 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000263266729 488608409 /nfs/dbraw/zinc/60/84/09/488608409.db2.gz NWEQEUFWDOYMRI-INIZCTEOSA-N 2 2 362.430 0.010 20 0 FCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000263271440 488608562 /nfs/dbraw/zinc/60/85/62/488608562.db2.gz SFHOSKRVQUIRED-APWZRJJASA-N 2 2 350.507 0.955 20 0 FCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000127163422 488614585 /nfs/dbraw/zinc/61/45/85/488614585.db2.gz XXXSJKYCHWACLH-HOTGVXAUSA-N 2 2 368.503 0.548 20 0 FCADLP COC[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000127194001 488614958 /nfs/dbraw/zinc/61/49/58/488614958.db2.gz XKIAKCUYNUJIFW-MRXNPFEDSA-N 2 2 368.503 0.548 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000263646607 488615549 /nfs/dbraw/zinc/61/55/49/488615549.db2.gz DSJKFWKQBKPPED-SFHVURJKSA-N 2 2 360.502 0.846 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000127915843 488620760 /nfs/dbraw/zinc/62/07/60/488620760.db2.gz XDXGMEWQHQMYKI-HRBLRVMOSA-N 2 2 363.506 0.560 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000127915843 488620761 /nfs/dbraw/zinc/62/07/61/488620761.db2.gz XDXGMEWQHQMYKI-HRBLRVMOSA-N 2 2 363.506 0.560 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129463589 488631514 /nfs/dbraw/zinc/63/15/14/488631514.db2.gz SBUARKVXEHKFHD-ZDUSSCGKSA-N 2 2 366.487 0.830 20 0 FCADLP NC(=O)c1ccsc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129463589 488631515 /nfs/dbraw/zinc/63/15/15/488631515.db2.gz SBUARKVXEHKFHD-ZDUSSCGKSA-N 2 2 366.487 0.830 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000563073840 491213274 /nfs/dbraw/zinc/21/32/74/491213274.db2.gz RJMXZVKDHDGJML-ZIAGYGMSSA-N 2 2 354.401 0.552 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000129692070 488632990 /nfs/dbraw/zinc/63/29/90/488632990.db2.gz WTADZOMBDGZOOP-WBVHZDCISA-N 2 2 356.536 0.787 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068447 491213617 /nfs/dbraw/zinc/21/36/17/491213617.db2.gz XNAXHZDTXGIKOO-HNKHHVNMSA-N 2 2 352.458 0.772 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC[NH2+]1 ZINC000570068447 491213620 /nfs/dbraw/zinc/21/36/20/491213620.db2.gz XNAXHZDTXGIKOO-HNKHHVNMSA-N 2 2 352.458 0.772 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131017360 488642726 /nfs/dbraw/zinc/64/27/26/488642726.db2.gz QVFUDTILEFMRFK-QGZVFWFLSA-N 2 2 363.506 0.719 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131017360 488642729 /nfs/dbraw/zinc/64/27/29/488642729.db2.gz QVFUDTILEFMRFK-QGZVFWFLSA-N 2 2 363.506 0.719 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000131372302 488645814 /nfs/dbraw/zinc/64/58/14/488645814.db2.gz QRROVUGOLKCQFK-SFHVURJKSA-N 2 2 374.485 0.120 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000131372302 488645816 /nfs/dbraw/zinc/64/58/16/488645816.db2.gz QRROVUGOLKCQFK-SFHVURJKSA-N 2 2 374.485 0.120 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000131417541 488646067 /nfs/dbraw/zinc/64/60/67/488646067.db2.gz ADXLSZYQIBJIBT-FQEVSTJZSA-N 2 2 374.529 0.963 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000554573291 491210347 /nfs/dbraw/zinc/21/03/47/491210347.db2.gz WWCNDDNNYMQIJW-DLBZAZTESA-N 2 2 355.527 0.111 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000554573291 491210349 /nfs/dbraw/zinc/21/03/49/491210349.db2.gz WWCNDDNNYMQIJW-DLBZAZTESA-N 2 2 355.527 0.111 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133082022 488657397 /nfs/dbraw/zinc/65/73/97/488657397.db2.gz UAZRFULPGZUPSD-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133082022 488657399 /nfs/dbraw/zinc/65/73/99/488657399.db2.gz UAZRFULPGZUPSD-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@](C)([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(N)=O ZINC000133240364 488658467 /nfs/dbraw/zinc/65/84/67/488658467.db2.gz XPWWXSPLRCVNGL-IBGZPJMESA-N 2 2 362.474 0.379 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000264294918 488661324 /nfs/dbraw/zinc/66/13/24/488661324.db2.gz VQYSPDXSQHFUAC-UHFFFAOYSA-N 2 2 365.478 0.638 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000134031998 488663969 /nfs/dbraw/zinc/66/39/69/488663969.db2.gz UCXGDVNJVRJUDH-HNNXBMFYSA-N 2 2 351.520 0.776 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000264356271 488666568 /nfs/dbraw/zinc/66/65/68/488666568.db2.gz URTMAAVJULTGCS-OAHLLOKOSA-N 2 2 360.458 0.792 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000563110527 491216271 /nfs/dbraw/zinc/21/62/71/491216271.db2.gz GGTQBAMYSQHWJH-HOTGVXAUSA-N 2 2 359.474 0.706 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000134740669 488668794 /nfs/dbraw/zinc/66/87/94/488668794.db2.gz JQRZDJLFMFWFGW-SJORKVTESA-N 2 2 354.495 0.386 20 0 FCADLP C[N@H+](CCNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000274180357 488688427 /nfs/dbraw/zinc/68/84/27/488688427.db2.gz JAPNVDZVROFWSX-UHFFFAOYSA-N 2 2 355.504 0.760 20 0 FCADLP C[N@@H+](CCNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000274180357 488688428 /nfs/dbraw/zinc/68/84/28/488688428.db2.gz JAPNVDZVROFWSX-UHFFFAOYSA-N 2 2 355.504 0.760 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150817366 488700017 /nfs/dbraw/zinc/70/00/17/488700017.db2.gz FDTCQUNASLBCHJ-QZTJIDSGSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150817366 488700018 /nfs/dbraw/zinc/70/00/18/488700018.db2.gz FDTCQUNASLBCHJ-QZTJIDSGSA-N 2 2 372.517 0.931 20 0 FCADLP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)c1 ZINC000264713902 488702045 /nfs/dbraw/zinc/70/20/45/488702045.db2.gz DZDJYBJGPWQBOZ-SJLPKXTDSA-N 2 2 363.506 0.843 20 0 FCADLP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)[NH+](C)C)c1 ZINC000264713902 488702046 /nfs/dbraw/zinc/70/20/46/488702046.db2.gz DZDJYBJGPWQBOZ-SJLPKXTDSA-N 2 2 363.506 0.843 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000152609229 488720540 /nfs/dbraw/zinc/72/05/40/488720540.db2.gz QDBGEIWQMWMABI-MRXNPFEDSA-N 2 2 368.441 0.646 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000152609229 488720541 /nfs/dbraw/zinc/72/05/41/488720541.db2.gz QDBGEIWQMWMABI-MRXNPFEDSA-N 2 2 368.441 0.646 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266143519 488723860 /nfs/dbraw/zinc/72/38/60/488723860.db2.gz RIYSEBUNVUDVPM-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000274647098 488724780 /nfs/dbraw/zinc/72/47/80/488724780.db2.gz KTSQBZJILOSBRV-RHSMWYFYSA-N 2 2 372.469 0.991 20 0 FCADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000274647098 488724781 /nfs/dbraw/zinc/72/47/81/488724781.db2.gz KTSQBZJILOSBRV-RHSMWYFYSA-N 2 2 372.469 0.991 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153888565 488736343 /nfs/dbraw/zinc/73/63/43/488736343.db2.gz RGAIZPZFMCVYRS-SFHVURJKSA-N 2 2 352.523 0.583 20 0 FCADLP CS[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1[NH+](C)C ZINC000274885438 488740405 /nfs/dbraw/zinc/74/04/05/488740405.db2.gz IINLHZQGAUUHKW-OLZOCXBDSA-N 2 2 350.492 0.237 20 0 FCADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000266909895 488743031 /nfs/dbraw/zinc/74/30/31/488743031.db2.gz IVMQHIZIRDTXNX-UHFFFAOYSA-N 2 2 370.519 0.298 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCSC1 ZINC000267084231 488759837 /nfs/dbraw/zinc/75/98/37/488759837.db2.gz HBCYCGLDDDAKTJ-GOSISDBHSA-N 2 2 363.531 0.757 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000155902525 488760111 /nfs/dbraw/zinc/76/01/11/488760111.db2.gz KELJHUCCXMMBTD-ROUUACIJSA-N 2 2 369.554 0.526 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000155902525 488760113 /nfs/dbraw/zinc/76/01/13/488760113.db2.gz KELJHUCCXMMBTD-ROUUACIJSA-N 2 2 369.554 0.526 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 ZINC000267219573 488770380 /nfs/dbraw/zinc/77/03/80/488770380.db2.gz HEWMPCNXJQZORK-CQSZACIVSA-N 2 2 367.519 0.990 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000157379765 488771089 /nfs/dbraw/zinc/77/10/89/488771089.db2.gz APSMOZCHVUYQKY-QGZVFWFLSA-N 2 2 365.522 0.714 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)NCc2ccco2)CC1 ZINC000267244195 488772276 /nfs/dbraw/zinc/77/22/76/488772276.db2.gz LCHFVRFOZWULAQ-UHFFFAOYSA-N 2 2 351.451 0.221 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000162216779 488801683 /nfs/dbraw/zinc/80/16/83/488801683.db2.gz HNCYWFMOEUYUSQ-PKOBYXMFSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162216779 488801684 /nfs/dbraw/zinc/80/16/84/488801684.db2.gz HNCYWFMOEUYUSQ-PKOBYXMFSA-N 2 2 361.486 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000162465370 488802455 /nfs/dbraw/zinc/80/24/55/488802455.db2.gz GAPYPZZQWYAGHI-KRWDZBQOSA-N 2 2 354.454 0.600 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000162465370 488802457 /nfs/dbraw/zinc/80/24/57/488802457.db2.gz GAPYPZZQWYAGHI-KRWDZBQOSA-N 2 2 354.454 0.600 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)[C@H](C[NH3+])C1 ZINC000162574520 488803130 /nfs/dbraw/zinc/80/31/30/488803130.db2.gz WCVUIWLPWQGHIA-GFCCVEGCSA-N 2 2 363.443 0.632 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)[C@H](C[NH3+])C1 ZINC000162574520 488803133 /nfs/dbraw/zinc/80/31/33/488803133.db2.gz WCVUIWLPWQGHIA-GFCCVEGCSA-N 2 2 363.443 0.632 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2C1 ZINC000163739664 488809081 /nfs/dbraw/zinc/80/90/81/488809081.db2.gz OCHVPNXVSIDOJJ-GOSISDBHSA-N 2 2 372.469 0.894 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2C1 ZINC000163739664 488809082 /nfs/dbraw/zinc/80/90/82/488809082.db2.gz OCHVPNXVSIDOJJ-GOSISDBHSA-N 2 2 372.469 0.894 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000167841466 488812513 /nfs/dbraw/zinc/81/25/13/488812513.db2.gz JPXVRRJGVWKYLF-HNNXBMFYSA-N 2 2 362.449 0.842 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000171006649 488819024 /nfs/dbraw/zinc/81/90/24/488819024.db2.gz DWVIPKRVWIRPTD-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC000171006649 488819026 /nfs/dbraw/zinc/81/90/26/488819026.db2.gz DWVIPKRVWIRPTD-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000171098790 488819640 /nfs/dbraw/zinc/81/96/40/488819640.db2.gz ZVBFKFDFVOMKOB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000171098790 488819641 /nfs/dbraw/zinc/81/96/41/488819641.db2.gz ZVBFKFDFVOMKOB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000171098790 488819643 /nfs/dbraw/zinc/81/96/43/488819643.db2.gz ZVBFKFDFVOMKOB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000171098790 488819645 /nfs/dbraw/zinc/81/96/45/488819645.db2.gz ZVBFKFDFVOMKOB-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171645264 488824977 /nfs/dbraw/zinc/82/49/77/488824977.db2.gz DQBFJZKVLQPBNA-MRXNPFEDSA-N 2 2 359.474 0.943 20 0 FCADLP CC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000171645264 488824979 /nfs/dbraw/zinc/82/49/79/488824979.db2.gz DQBFJZKVLQPBNA-MRXNPFEDSA-N 2 2 359.474 0.943 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903020 488828159 /nfs/dbraw/zinc/82/81/59/488828159.db2.gz TXSUOUGWBCYTCV-MRXNPFEDSA-N 2 2 359.478 0.088 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000171960001 488829278 /nfs/dbraw/zinc/82/92/78/488829278.db2.gz OXAGGNLJLDRBIQ-HNNXBMFYSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000171960001 488829280 /nfs/dbraw/zinc/82/92/80/488829280.db2.gz OXAGGNLJLDRBIQ-HNNXBMFYSA-N 2 2 364.515 0.850 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000173396247 488842534 /nfs/dbraw/zinc/84/25/34/488842534.db2.gz PMWPEUCHRNXYQW-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173600590 488843855 /nfs/dbraw/zinc/84/38/55/488843855.db2.gz FESHLBZNVYWEAL-MSOLQXFVSA-N 2 2 350.507 0.921 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173600590 488843856 /nfs/dbraw/zinc/84/38/56/488843856.db2.gz FESHLBZNVYWEAL-MSOLQXFVSA-N 2 2 350.507 0.921 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000173605085 488843863 /nfs/dbraw/zinc/84/38/63/488843863.db2.gz OHDQRXMXFISKBF-SFHVURJKSA-N 2 2 372.517 0.933 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000173605085 488843864 /nfs/dbraw/zinc/84/38/64/488843864.db2.gz OHDQRXMXFISKBF-SFHVURJKSA-N 2 2 372.517 0.933 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000174546413 488849834 /nfs/dbraw/zinc/84/98/34/488849834.db2.gz UZQFNJIQCZABMS-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000174546413 488849835 /nfs/dbraw/zinc/84/98/35/488849835.db2.gz UZQFNJIQCZABMS-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000174545687 488849876 /nfs/dbraw/zinc/84/98/76/488849876.db2.gz BSCNLTFQFOCTSZ-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000174545687 488849877 /nfs/dbraw/zinc/84/98/77/488849877.db2.gz BSCNLTFQFOCTSZ-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000174545687 488849878 /nfs/dbraw/zinc/84/98/78/488849878.db2.gz BSCNLTFQFOCTSZ-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000174545687 488849879 /nfs/dbraw/zinc/84/98/79/488849879.db2.gz BSCNLTFQFOCTSZ-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000174691361 488850742 /nfs/dbraw/zinc/85/07/42/488850742.db2.gz WHWNEUGODYXJKK-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000174691361 488850743 /nfs/dbraw/zinc/85/07/43/488850743.db2.gz WHWNEUGODYXJKK-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000174691361 488850744 /nfs/dbraw/zinc/85/07/44/488850744.db2.gz WHWNEUGODYXJKK-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000174691361 488850745 /nfs/dbraw/zinc/85/07/45/488850745.db2.gz WHWNEUGODYXJKK-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000174785344 488851175 /nfs/dbraw/zinc/85/11/75/488851175.db2.gz RMSYBLRTPDHULK-SJORKVTESA-N 2 2 355.527 0.375 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000175466219 488854301 /nfs/dbraw/zinc/85/43/01/488854301.db2.gz HAYXITIGSFXJHU-QGZVFWFLSA-N 2 2 353.467 0.354 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000175548224 488854388 /nfs/dbraw/zinc/85/43/88/488854388.db2.gz UVHHSTKVLLNTGD-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000175633062 488854755 /nfs/dbraw/zinc/85/47/55/488854755.db2.gz FOAZWTDNTCODCZ-KSZLIROESA-N 2 2 368.522 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000175633062 488854756 /nfs/dbraw/zinc/85/47/56/488854756.db2.gz FOAZWTDNTCODCZ-KSZLIROESA-N 2 2 368.522 0.705 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cccc(C(N)=O)c2)CC1 ZINC000175717514 488855201 /nfs/dbraw/zinc/85/52/01/488855201.db2.gz YIJNQRYLNDHUFK-UHFFFAOYSA-N 2 2 361.490 0.653 20 0 FCADLP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000175804199 488855670 /nfs/dbraw/zinc/85/56/70/488855670.db2.gz CJKPJALABQGQBX-HOTGVXAUSA-N 2 2 368.522 0.260 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000175810187 488856074 /nfs/dbraw/zinc/85/60/74/488856074.db2.gz LRCSNSVEENQBIX-QGZVFWFLSA-N 2 2 355.527 0.234 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000175810187 488856075 /nfs/dbraw/zinc/85/60/75/488856075.db2.gz LRCSNSVEENQBIX-QGZVFWFLSA-N 2 2 355.527 0.234 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000176283758 488857953 /nfs/dbraw/zinc/85/79/53/488857953.db2.gz AVEVEWYOZGIBMM-KRWDZBQOSA-N 2 2 354.539 0.877 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000176283758 488857954 /nfs/dbraw/zinc/85/79/54/488857954.db2.gz AVEVEWYOZGIBMM-KRWDZBQOSA-N 2 2 354.539 0.877 20 0 FCADLP CCNC(=O)NC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000177133855 488859151 /nfs/dbraw/zinc/85/91/51/488859151.db2.gz LIIFSUZTMZRMOA-UHFFFAOYSA-N 2 2 353.511 0.761 20 0 FCADLP CC[C@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(N)=O ZINC000177572676 488859593 /nfs/dbraw/zinc/85/95/93/488859593.db2.gz QSZKPJUQBVICDD-FQEVSTJZSA-N 2 2 374.485 0.509 20 0 FCADLP C[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000178001904 488860027 /nfs/dbraw/zinc/86/00/27/488860027.db2.gz APUSKCXCSFROJJ-HXUWFJFHSA-N 2 2 359.470 0.722 20 0 FCADLP C[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000178001904 488860028 /nfs/dbraw/zinc/86/00/28/488860028.db2.gz APUSKCXCSFROJJ-HXUWFJFHSA-N 2 2 359.470 0.722 20 0 FCADLP CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179673837 488861473 /nfs/dbraw/zinc/86/14/73/488861473.db2.gz IAEJFMGCWHRPQA-INIZCTEOSA-N 2 2 361.490 0.823 20 0 FCADLP CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179673837 488861474 /nfs/dbraw/zinc/86/14/74/488861474.db2.gz IAEJFMGCWHRPQA-INIZCTEOSA-N 2 2 361.490 0.823 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)C(=O)NCc2[nH+]ccn2C)[NH+]2CCCC2)o1 ZINC000288431437 488980813 /nfs/dbraw/zinc/98/08/13/488980813.db2.gz RVXRESVDHSVTQW-CQSZACIVSA-N 2 2 359.430 0.891 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000288477882 488984893 /nfs/dbraw/zinc/98/48/93/488984893.db2.gz QVDMASYFCNIEDR-SFHVURJKSA-N 2 2 355.442 0.800 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000288477882 488984896 /nfs/dbraw/zinc/98/48/96/488984896.db2.gz QVDMASYFCNIEDR-SFHVURJKSA-N 2 2 355.442 0.800 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000288477882 488984899 /nfs/dbraw/zinc/98/48/99/488984899.db2.gz QVDMASYFCNIEDR-SFHVURJKSA-N 2 2 355.442 0.800 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000288477882 488984901 /nfs/dbraw/zinc/98/49/01/488984901.db2.gz QVDMASYFCNIEDR-SFHVURJKSA-N 2 2 355.442 0.800 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000288498359 488986345 /nfs/dbraw/zinc/98/63/45/488986345.db2.gz BEJYEEIIIUHREV-DLBZAZTESA-N 2 2 363.458 0.327 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2)c1 ZINC000563203013 491226877 /nfs/dbraw/zinc/22/68/77/491226877.db2.gz QYNGNFNNRFSBPD-LJQANCHMSA-N 3 2 359.518 0.608 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2)c1 ZINC000563203013 491226881 /nfs/dbraw/zinc/22/68/81/491226881.db2.gz QYNGNFNNRFSBPD-LJQANCHMSA-N 3 2 359.518 0.608 20 0 FCADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000329395969 489000739 /nfs/dbraw/zinc/00/07/39/489000739.db2.gz UGLFTATXDDFENG-HOTGVXAUSA-N 2 2 359.536 0.337 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563215676 491227855 /nfs/dbraw/zinc/22/78/55/491227855.db2.gz NCDODHYEJTYDPX-MNEFBYGVSA-N 2 2 360.502 0.202 20 0 FCADLP COc1ccc(C(=O)NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288773947 489014398 /nfs/dbraw/zinc/01/43/98/489014398.db2.gz BHGDXLMSPZJATJ-UHFFFAOYSA-N 2 2 364.490 0.767 20 0 FCADLP COc1ccc(C(=O)NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288773947 489014400 /nfs/dbraw/zinc/01/44/00/489014400.db2.gz BHGDXLMSPZJATJ-UHFFFAOYSA-N 2 2 364.490 0.767 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000364898859 489015950 /nfs/dbraw/zinc/01/59/50/489015950.db2.gz KUNKKSGWMARTDN-FGTMMUONSA-N 2 2 368.522 0.990 20 0 FCADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000364898859 489015952 /nfs/dbraw/zinc/01/59/52/489015952.db2.gz KUNKKSGWMARTDN-FGTMMUONSA-N 2 2 368.522 0.990 20 0 FCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)C(=O)N1CC[NH+](CC)CC1)CC2 ZINC000329595078 489019079 /nfs/dbraw/zinc/01/90/79/489019079.db2.gz VEYOAVCSQPTGMV-BRWVUGGUSA-N 2 2 353.507 0.791 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000329670823 489025596 /nfs/dbraw/zinc/02/55/96/489025596.db2.gz RWDPEMDCJAREIL-FQEVSTJZSA-N 2 2 361.486 0.722 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000329670823 489025597 /nfs/dbraw/zinc/02/55/97/489025597.db2.gz RWDPEMDCJAREIL-FQEVSTJZSA-N 2 2 361.486 0.722 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000329806091 489037849 /nfs/dbraw/zinc/03/78/49/489037849.db2.gz AXEROOYPTZDHDF-CABCVRRESA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000329806091 489037853 /nfs/dbraw/zinc/03/78/53/489037853.db2.gz AXEROOYPTZDHDF-CABCVRRESA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H](NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000570271614 491229412 /nfs/dbraw/zinc/22/94/12/491229412.db2.gz DCDWQMMTOJALAP-CVEARBPZSA-N 2 2 367.519 0.264 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H](c3c[nH+]cn3C)N(C)C)CC2)c1 ZINC000281020665 489047283 /nfs/dbraw/zinc/04/72/83/489047283.db2.gz UDIHREJDHXUHDV-KRWDZBQOSA-N 2 2 358.446 0.775 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278346 491230019 /nfs/dbraw/zinc/23/00/19/491230019.db2.gz AJKRPWLBTSDHKJ-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278346 491230023 /nfs/dbraw/zinc/23/00/23/491230023.db2.gz AJKRPWLBTSDHKJ-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329907818 489047946 /nfs/dbraw/zinc/04/79/46/489047946.db2.gz LEPREODDWLEHKX-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329907819 489048403 /nfs/dbraw/zinc/04/84/03/489048403.db2.gz LEPREODDWLEHKX-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000289241375 489051802 /nfs/dbraw/zinc/05/18/02/489051802.db2.gz PKAIIGIRNKUHLX-CVEARBPZSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000289241375 489051803 /nfs/dbraw/zinc/05/18/03/489051803.db2.gz PKAIIGIRNKUHLX-CVEARBPZSA-N 2 2 355.442 0.893 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000289249742 489052649 /nfs/dbraw/zinc/05/26/49/489052649.db2.gz PYKHJDXQZSECGT-INIZCTEOSA-N 2 2 355.442 0.895 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCCO1 ZINC000289254592 489053218 /nfs/dbraw/zinc/05/32/18/489053218.db2.gz QHMYDZHIALBJKI-HNNXBMFYSA-N 2 2 373.457 0.568 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(=O)NCC1CC1 ZINC000570282856 491230378 /nfs/dbraw/zinc/23/03/78/491230378.db2.gz GWBMFBYYHWXQED-KRWDZBQOSA-N 2 2 355.442 0.444 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000365327478 489064153 /nfs/dbraw/zinc/06/41/53/489064153.db2.gz OUEAZKVJEKXLGQ-RCCFBDPRSA-N 2 2 367.538 0.517 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454520 489068604 /nfs/dbraw/zinc/06/86/04/489068604.db2.gz XRELTTLWAYVIAN-KBPBESRZSA-N 2 2 361.446 0.979 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454520 489068607 /nfs/dbraw/zinc/06/86/07/489068607.db2.gz XRELTTLWAYVIAN-KBPBESRZSA-N 2 2 361.446 0.979 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000563245053 491231502 /nfs/dbraw/zinc/23/15/02/491231502.db2.gz JFGMTTTWYGENOQ-HOCLYGCPSA-N 2 2 368.503 0.331 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc[nH+]1 ZINC000365493754 489080940 /nfs/dbraw/zinc/08/09/40/489080940.db2.gz BEXNLNOYSMKTEW-YESZJQIVSA-N 2 2 361.490 0.863 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773288 489092081 /nfs/dbraw/zinc/09/20/81/489092081.db2.gz KMKUIXIUCIFYBX-WOJBJXKFSA-N 2 2 372.513 0.865 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CC1 ZINC000289773288 489092084 /nfs/dbraw/zinc/09/20/84/489092084.db2.gz KMKUIXIUCIFYBX-WOJBJXKFSA-N 2 2 372.513 0.865 20 0 FCADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C1)CCCC2 ZINC000330348220 489093304 /nfs/dbraw/zinc/09/33/04/489093304.db2.gz INHAPZOBEAHJOW-CQSZACIVSA-N 2 2 357.458 0.915 20 0 FCADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C1)CCCC2 ZINC000330348220 489093306 /nfs/dbraw/zinc/09/33/06/489093306.db2.gz INHAPZOBEAHJOW-CQSZACIVSA-N 2 2 357.458 0.915 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000289905794 489101183 /nfs/dbraw/zinc/10/11/83/489101183.db2.gz NEQLEKCELGNABY-CQSZACIVSA-N 2 2 354.476 0.766 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000289905794 489101186 /nfs/dbraw/zinc/10/11/86/489101186.db2.gz NEQLEKCELGNABY-CQSZACIVSA-N 2 2 354.476 0.766 20 0 FCADLP CC(C)OCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330647312 489127221 /nfs/dbraw/zinc/12/72/21/489127221.db2.gz HPBKCLLIXSWBCG-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330666435 489130161 /nfs/dbraw/zinc/13/01/61/489130161.db2.gz XHMYVFSUMAXWHI-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401964 489136577 /nfs/dbraw/zinc/13/65/77/489136577.db2.gz IRWJBWHFEUIGOG-WBVHZDCISA-N 2 2 371.485 0.910 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401964 489136580 /nfs/dbraw/zinc/13/65/80/489136580.db2.gz IRWJBWHFEUIGOG-WBVHZDCISA-N 2 2 371.485 0.910 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000330771414 489141860 /nfs/dbraw/zinc/14/18/60/489141860.db2.gz ORIKKWKDUKYOGV-UHFFFAOYSA-N 2 2 374.551 0.331 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290599106 489151951 /nfs/dbraw/zinc/15/19/51/489151951.db2.gz REULOLVPWNCYSU-MRXNPFEDSA-N 2 2 359.474 0.766 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164886 489153268 /nfs/dbraw/zinc/15/32/68/489153268.db2.gz XCHIKDUZUCNKEH-WMZOPIPTSA-N 2 2 367.538 0.422 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164886 489153270 /nfs/dbraw/zinc/15/32/70/489153270.db2.gz XCHIKDUZUCNKEH-WMZOPIPTSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366164886 489153274 /nfs/dbraw/zinc/15/32/74/489153274.db2.gz XCHIKDUZUCNKEH-WMZOPIPTSA-N 2 2 367.538 0.422 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366164886 489153278 /nfs/dbraw/zinc/15/32/78/489153278.db2.gz XCHIKDUZUCNKEH-WMZOPIPTSA-N 2 2 367.538 0.422 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290665090 489157289 /nfs/dbraw/zinc/15/72/89/489157289.db2.gz UUHNYKWRHFLYOZ-MRXNPFEDSA-N 2 2 359.474 0.719 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290665090 489157290 /nfs/dbraw/zinc/15/72/90/489157290.db2.gz UUHNYKWRHFLYOZ-MRXNPFEDSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1c[nH+]cn1C ZINC000290729566 489161231 /nfs/dbraw/zinc/16/12/31/489161231.db2.gz MUZFCHQYCWQTBS-HNNXBMFYSA-N 2 2 357.462 0.825 20 0 FCADLP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280056 489165961 /nfs/dbraw/zinc/16/59/61/489165961.db2.gz LOKDEACCCIKQMB-WBVHZDCISA-N 2 2 353.511 0.032 20 0 FCADLP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCN(C)CC1 ZINC000366280056 489165963 /nfs/dbraw/zinc/16/59/63/489165963.db2.gz LOKDEACCCIKQMB-WBVHZDCISA-N 2 2 353.511 0.032 20 0 FCADLP C[N@H+](CCOCCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000282526941 489172458 /nfs/dbraw/zinc/17/24/58/489172458.db2.gz PWBJTVONUJMKEO-UHFFFAOYSA-N 2 2 351.447 0.398 20 0 FCADLP C[N@@H+](CCOCCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000282526941 489172460 /nfs/dbraw/zinc/17/24/60/489172460.db2.gz PWBJTVONUJMKEO-UHFFFAOYSA-N 2 2 351.447 0.398 20 0 FCADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115161 489174939 /nfs/dbraw/zinc/17/49/39/489174939.db2.gz LLZQLSBCZLQKHJ-UKRRQHHQSA-N 2 2 355.504 0.995 20 0 FCADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115161 489174941 /nfs/dbraw/zinc/17/49/41/489174941.db2.gz LLZQLSBCZLQKHJ-UKRRQHHQSA-N 2 2 355.504 0.995 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458531 489184606 /nfs/dbraw/zinc/18/46/06/489184606.db2.gz DJFNAUVYBGIBHG-GDBMZVCRSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458531 489184609 /nfs/dbraw/zinc/18/46/09/489184609.db2.gz DJFNAUVYBGIBHG-GDBMZVCRSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458531 489184612 /nfs/dbraw/zinc/18/46/12/489184612.db2.gz DJFNAUVYBGIBHG-GDBMZVCRSA-N 2 2 368.478 0.128 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)[C@H](C)C1 ZINC000366458531 489184615 /nfs/dbraw/zinc/18/46/15/489184615.db2.gz DJFNAUVYBGIBHG-GDBMZVCRSA-N 2 2 368.478 0.128 20 0 FCADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@]2(CCCOC2)O1 ZINC000366480917 489188002 /nfs/dbraw/zinc/18/80/02/489188002.db2.gz FDUIQYRPQHCFGX-QFBILLFUSA-N 2 2 361.490 0.998 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@]2(CCCOC2)O1 ZINC000366480917 489188004 /nfs/dbraw/zinc/18/80/04/489188004.db2.gz FDUIQYRPQHCFGX-QFBILLFUSA-N 2 2 361.490 0.998 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000283080019 489213522 /nfs/dbraw/zinc/21/35/22/489213522.db2.gz QKFOLOKMYZLLFT-KRWDZBQOSA-N 2 2 361.446 0.949 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000283080019 489213525 /nfs/dbraw/zinc/21/35/25/489213525.db2.gz QKFOLOKMYZLLFT-KRWDZBQOSA-N 2 2 361.446 0.949 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000297620855 489214810 /nfs/dbraw/zinc/21/48/10/489214810.db2.gz VXCDVKXGYWMKDA-UHFFFAOYSA-N 2 2 350.463 0.724 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)CC2)c1 ZINC000332563640 489220225 /nfs/dbraw/zinc/22/02/25/489220225.db2.gz WFPNLCDITLSNGI-QGZVFWFLSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)CC2)c1 ZINC000332563640 489220229 /nfs/dbraw/zinc/22/02/29/489220229.db2.gz WFPNLCDITLSNGI-QGZVFWFLSA-N 2 2 373.501 0.837 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1CCOC ZINC000297687171 489224141 /nfs/dbraw/zinc/22/41/41/489224141.db2.gz DDGACQDOSYIHTF-OAHLLOKOSA-N 2 2 363.462 0.185 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1CCOC ZINC000297687171 489224144 /nfs/dbraw/zinc/22/41/44/489224144.db2.gz DDGACQDOSYIHTF-OAHLLOKOSA-N 2 2 363.462 0.185 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)ccn12 ZINC000563377967 491240421 /nfs/dbraw/zinc/24/04/21/491240421.db2.gz QUNXSVOECDSVLG-UHFFFAOYSA-N 2 2 354.414 1.424 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297705951 489227494 /nfs/dbraw/zinc/22/74/94/489227494.db2.gz IQAWCSFMHZAGEE-UHFFFAOYSA-N 2 2 363.462 0.042 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000283225576 489229821 /nfs/dbraw/zinc/22/98/21/489229821.db2.gz ACSXHXJNFNMFOD-INIZCTEOSA-N 2 2 373.501 0.887 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCc2sccc2C1 ZINC000283226357 489230119 /nfs/dbraw/zinc/23/01/19/489230119.db2.gz BRLHGVJPUZVBFT-CYBMUJFWSA-N 2 2 361.471 0.624 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+]1CCc2sccc2C1 ZINC000283226357 489230123 /nfs/dbraw/zinc/23/01/23/489230123.db2.gz BRLHGVJPUZVBFT-CYBMUJFWSA-N 2 2 361.471 0.624 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369364460 489230516 /nfs/dbraw/zinc/23/05/16/489230516.db2.gz SAFGLSCACZFAHZ-INIZCTEOSA-N 3 2 353.511 0.129 20 0 FCADLP COCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369364460 489230519 /nfs/dbraw/zinc/23/05/19/489230519.db2.gz SAFGLSCACZFAHZ-INIZCTEOSA-N 3 2 353.511 0.129 20 0 FCADLP CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369368498 489230975 /nfs/dbraw/zinc/23/09/75/489230975.db2.gz CYXXCWZAGDSSIV-ZBFHGGJFSA-N 2 2 351.495 0.321 20 0 FCADLP CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369368498 489230976 /nfs/dbraw/zinc/23/09/76/489230976.db2.gz CYXXCWZAGDSSIV-ZBFHGGJFSA-N 2 2 351.495 0.321 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000369384426 489232092 /nfs/dbraw/zinc/23/20/92/489232092.db2.gz RXLTWXUVSLHZLR-UHFFFAOYSA-N 2 2 352.479 0.847 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000369384426 489232095 /nfs/dbraw/zinc/23/20/95/489232095.db2.gz RXLTWXUVSLHZLR-UHFFFAOYSA-N 2 2 352.479 0.847 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297767678 489237744 /nfs/dbraw/zinc/23/77/44/489237744.db2.gz IFWVAWMMBFCWGA-SJORKVTESA-N 2 2 371.485 0.815 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297767678 489237747 /nfs/dbraw/zinc/23/77/47/489237747.db2.gz IFWVAWMMBFCWGA-SJORKVTESA-N 2 2 371.485 0.815 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000283281731 489237926 /nfs/dbraw/zinc/23/79/26/489237926.db2.gz GQKNCVYBBIIZNY-HZPDHXFCSA-N 2 2 365.478 0.253 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000283281731 489237927 /nfs/dbraw/zinc/23/79/27/489237927.db2.gz GQKNCVYBBIIZNY-HZPDHXFCSA-N 2 2 365.478 0.253 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283298491 489241596 /nfs/dbraw/zinc/24/15/96/489241596.db2.gz PHQQGPDATCKCGS-UHFFFAOYSA-N 2 2 354.414 0.864 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000283305409 489241939 /nfs/dbraw/zinc/24/19/39/489241939.db2.gz DAVWNCFIQYTJFM-KBPBESRZSA-N 2 2 365.478 0.383 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570451193 491241838 /nfs/dbraw/zinc/24/18/38/491241838.db2.gz IIRMYOBVLZAXPI-AEGPPILISA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570451193 491241839 /nfs/dbraw/zinc/24/18/39/491241839.db2.gz IIRMYOBVLZAXPI-AEGPPILISA-N 2 2 366.487 0.640 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000332977569 489253412 /nfs/dbraw/zinc/25/34/12/489253412.db2.gz ISRRHRJMDPHRNA-CWLKWCNXSA-N 2 2 368.522 0.773 20 0 FCADLP CC(C)(CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000332981226 489253759 /nfs/dbraw/zinc/25/37/59/489253759.db2.gz NLZCYCMSHVZAGU-DLBZAZTESA-N 2 2 368.522 0.774 20 0 FCADLP O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000333413613 489260709 /nfs/dbraw/zinc/26/07/09/489260709.db2.gz GXWPSMVUGAOQQZ-UHFFFAOYSA-N 2 2 373.461 1.070 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000333456559 489261403 /nfs/dbraw/zinc/26/14/03/489261403.db2.gz OPWQBUKHFKLQIX-MRXNPFEDSA-N 2 2 360.462 0.693 20 0 FCADLP COc1c(N)[nH+]cnc1N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462789 491242703 /nfs/dbraw/zinc/24/27/03/491242703.db2.gz LKKONPWXYPZTPV-HNNXBMFYSA-N 2 2 362.478 0.838 20 0 FCADLP COc1c(N)[nH+]cnc1N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462789 491242705 /nfs/dbraw/zinc/24/27/05/491242705.db2.gz LKKONPWXYPZTPV-HNNXBMFYSA-N 2 2 362.478 0.838 20 0 FCADLP COc1c(N)nc[nH+]c1N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462789 491242706 /nfs/dbraw/zinc/24/27/06/491242706.db2.gz LKKONPWXYPZTPV-HNNXBMFYSA-N 2 2 362.478 0.838 20 0 FCADLP COc1c(N)nc[nH+]c1N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000570462789 491242708 /nfs/dbraw/zinc/24/27/08/491242708.db2.gz LKKONPWXYPZTPV-HNNXBMFYSA-N 2 2 362.478 0.838 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C2 ZINC000570476518 491243613 /nfs/dbraw/zinc/24/36/13/491243613.db2.gz OYHIBVVDBJBRQC-JSGCOSHPSA-N 2 2 352.504 0.595 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000298007856 489277487 /nfs/dbraw/zinc/27/74/87/489277487.db2.gz BURZRMCQBXYKGK-DOTOQJQBSA-N 2 2 354.520 0.883 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000298007856 489277489 /nfs/dbraw/zinc/27/74/89/489277489.db2.gz BURZRMCQBXYKGK-DOTOQJQBSA-N 2 2 354.520 0.883 20 0 FCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000283587863 489277911 /nfs/dbraw/zinc/27/79/11/489277911.db2.gz XCANBXAEEODVSE-VOTSOKGWSA-N 2 2 353.426 0.884 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000563442725 491247113 /nfs/dbraw/zinc/24/71/13/491247113.db2.gz SLWAFGLTWZAPCY-AEFFLSMTSA-N 2 2 358.486 0.514 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000563442725 491247117 /nfs/dbraw/zinc/24/71/17/491247117.db2.gz SLWAFGLTWZAPCY-AEFFLSMTSA-N 2 2 358.486 0.514 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284243594 489304563 /nfs/dbraw/zinc/30/45/63/489304563.db2.gz YVJJXHNDLXPALM-RDJZCZTQSA-N 2 2 362.474 0.242 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CCN2C1=O ZINC000563459160 491249196 /nfs/dbraw/zinc/24/91/96/491249196.db2.gz VLGRSAJACOMEGY-SJORKVTESA-N 2 2 368.441 0.385 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000298251934 489308646 /nfs/dbraw/zinc/30/86/46/489308646.db2.gz DSWZJQLFDPWWSP-UHFFFAOYSA-N 2 2 350.463 0.642 20 0 FCADLP CCOC1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)([NH+]2CCOCC2)C1 ZINC000370118401 489317253 /nfs/dbraw/zinc/31/72/53/489317253.db2.gz BSXDPTAJTPUUSU-PQUAAJSLSA-N 2 2 355.479 0.093 20 0 FCADLP CCOC1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)([NH+]2CCOCC2)C1 ZINC000370118401 489317255 /nfs/dbraw/zinc/31/72/55/489317255.db2.gz BSXDPTAJTPUUSU-PQUAAJSLSA-N 2 2 355.479 0.093 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000370167510 489323394 /nfs/dbraw/zinc/32/33/94/489323394.db2.gz QAEBUKDZSSYBSF-OAHLLOKOSA-N 2 2 355.446 0.728 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000370167510 489323397 /nfs/dbraw/zinc/32/33/97/489323397.db2.gz QAEBUKDZSSYBSF-OAHLLOKOSA-N 2 2 355.446 0.728 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000563454318 491248961 /nfs/dbraw/zinc/24/89/61/491248961.db2.gz KEUVWESCHNLQCC-KBPBESRZSA-N 2 2 361.833 0.757 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000286078413 489353331 /nfs/dbraw/zinc/35/33/31/489353331.db2.gz YRXLSROIURBVKQ-UHFFFAOYSA-N 2 2 369.469 0.961 20 0 FCADLP CCOC(=O)C1CCC(O)(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000570564665 491249954 /nfs/dbraw/zinc/24/99/54/491249954.db2.gz ZBZABGKZOYWBNU-UHFFFAOYSA-N 2 2 369.506 0.613 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000370516802 489369474 /nfs/dbraw/zinc/36/94/74/489369474.db2.gz CEJPYQQZSYSKRY-GOSISDBHSA-N 2 2 353.507 0.935 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000370516802 489369476 /nfs/dbraw/zinc/36/94/76/489369476.db2.gz CEJPYQQZSYSKRY-GOSISDBHSA-N 2 2 353.507 0.935 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370516802 489369477 /nfs/dbraw/zinc/36/94/77/489369477.db2.gz CEJPYQQZSYSKRY-GOSISDBHSA-N 2 2 353.507 0.935 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370516802 489369479 /nfs/dbraw/zinc/36/94/79/489369479.db2.gz CEJPYQQZSYSKRY-GOSISDBHSA-N 2 2 353.507 0.935 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000370616333 489383186 /nfs/dbraw/zinc/38/31/86/489383186.db2.gz RNSQTLHBALLEAE-FUHWJXTLSA-N 2 2 371.489 0.719 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362703624 489392956 /nfs/dbraw/zinc/39/29/56/489392956.db2.gz QTNWJXBDUYLGOI-MOPGFXCFSA-N 2 2 358.486 0.566 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362703624 489392957 /nfs/dbraw/zinc/39/29/57/489392957.db2.gz QTNWJXBDUYLGOI-MOPGFXCFSA-N 2 2 358.486 0.566 20 0 FCADLP C[C@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc[nH+]1 ZINC000299064967 489401422 /nfs/dbraw/zinc/40/14/22/489401422.db2.gz VDMQWNVKGPRXSZ-AVOUXACISA-N 2 2 362.478 0.765 20 0 FCADLP C[C@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc[nH+]1 ZINC000299064967 489401425 /nfs/dbraw/zinc/40/14/25/489401425.db2.gz VDMQWNVKGPRXSZ-AVOUXACISA-N 2 2 362.478 0.765 20 0 FCADLP C[C@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]cn1 ZINC000299064967 489401428 /nfs/dbraw/zinc/40/14/28/489401428.db2.gz VDMQWNVKGPRXSZ-AVOUXACISA-N 2 2 362.478 0.765 20 0 FCADLP C[C@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]cn1 ZINC000299064967 489401430 /nfs/dbraw/zinc/40/14/30/489401430.db2.gz VDMQWNVKGPRXSZ-AVOUXACISA-N 2 2 362.478 0.765 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@](C)(C[NH3+])C3CC3)ccn2)CC1 ZINC000570615899 491252985 /nfs/dbraw/zinc/25/29/85/491252985.db2.gz AEPOJZGRSVROCN-SFHVURJKSA-N 2 2 360.462 0.718 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000370805954 489404913 /nfs/dbraw/zinc/40/49/13/489404913.db2.gz LDIJYFGREOBFEB-HXUWFJFHSA-N 2 2 372.513 0.981 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253913 /nfs/dbraw/zinc/25/39/13/491253913.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 3 2 374.529 0.929 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253916 /nfs/dbraw/zinc/25/39/16/491253916.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253918 /nfs/dbraw/zinc/25/39/18/491253918.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000570626422 491253921 /nfs/dbraw/zinc/25/39/21/491253921.db2.gz MTPHBAXFYTXUPD-UYAOXDASSA-N 3 2 374.529 0.929 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000363109261 489425090 /nfs/dbraw/zinc/42/50/90/489425090.db2.gz OAQAOKGYDGRRKI-OALUTQOASA-N 2 2 358.486 0.566 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000363109261 489425094 /nfs/dbraw/zinc/42/50/94/489425094.db2.gz OAQAOKGYDGRRKI-OALUTQOASA-N 2 2 358.486 0.566 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000570683431 491257576 /nfs/dbraw/zinc/25/75/76/491257576.db2.gz PXHKIFDWZQQMJR-KDURUIRLSA-N 3 2 372.513 0.881 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000570683431 491257579 /nfs/dbraw/zinc/25/75/79/491257579.db2.gz PXHKIFDWZQQMJR-KDURUIRLSA-N 3 2 372.513 0.881 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000570683431 491257582 /nfs/dbraw/zinc/25/75/82/491257582.db2.gz PXHKIFDWZQQMJR-KDURUIRLSA-N 3 2 372.513 0.881 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000570683431 491257584 /nfs/dbraw/zinc/25/75/84/491257584.db2.gz PXHKIFDWZQQMJR-KDURUIRLSA-N 3 2 372.513 0.881 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363218321 489440049 /nfs/dbraw/zinc/44/00/49/489440049.db2.gz HPNXHSAALAMMQJ-GJZGRUSLSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218321 489440050 /nfs/dbraw/zinc/44/00/50/489440050.db2.gz HPNXHSAALAMMQJ-GJZGRUSLSA-N 2 2 353.511 0.711 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000371032170 489442208 /nfs/dbraw/zinc/44/22/08/489442208.db2.gz VULJAAXGJHPMNK-KRWDZBQOSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000371032170 489442211 /nfs/dbraw/zinc/44/22/11/489442211.db2.gz VULJAAXGJHPMNK-KRWDZBQOSA-N 2 2 370.457 0.404 20 0 FCADLP C[N@H+](CCNS(C)(=O)=O)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371158157 489458251 /nfs/dbraw/zinc/45/82/51/489458251.db2.gz QQDDNLDNGNHHBP-UHFFFAOYSA-N 3 2 360.568 0.664 20 0 FCADLP C[N@@H+](CCNS(C)(=O)=O)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371158157 489458252 /nfs/dbraw/zinc/45/82/52/489458252.db2.gz QQDDNLDNGNHHBP-UHFFFAOYSA-N 3 2 360.568 0.664 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CC2)CC1 ZINC000363384132 489460686 /nfs/dbraw/zinc/46/06/86/489460686.db2.gz GMJGZGCGTLUQET-INIZCTEOSA-N 2 2 369.473 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CC2)CC1 ZINC000363384132 489460688 /nfs/dbraw/zinc/46/06/88/489460688.db2.gz GMJGZGCGTLUQET-INIZCTEOSA-N 2 2 369.473 0.886 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563577849 491255624 /nfs/dbraw/zinc/25/56/24/491255624.db2.gz HREDYHDEFNSWEX-CHWSQXEVSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563577849 491255626 /nfs/dbraw/zinc/25/56/26/491255626.db2.gz HREDYHDEFNSWEX-CHWSQXEVSA-N 2 2 365.865 0.730 20 0 FCADLP COc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1 ZINC000363560064 489479166 /nfs/dbraw/zinc/47/91/66/489479166.db2.gz JVEBGXQGUCIUOZ-INIZCTEOSA-N 2 2 363.458 0.727 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)CC1 ZINC000363572324 489480444 /nfs/dbraw/zinc/48/04/44/489480444.db2.gz CTSCLEVYXYCKSQ-KSSFIOAISA-N 2 2 350.463 0.955 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@](C)(O)c3ccco3)C2)CC1 ZINC000363572324 489480445 /nfs/dbraw/zinc/48/04/45/489480445.db2.gz CTSCLEVYXYCKSQ-KSSFIOAISA-N 2 2 350.463 0.955 20 0 FCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C[NH3+] ZINC000563581501 491256296 /nfs/dbraw/zinc/25/62/96/491256296.db2.gz KEZLXHRRGBJNNN-WBVHZDCISA-N 2 2 365.522 0.557 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000371605685 489490321 /nfs/dbraw/zinc/49/03/21/489490321.db2.gz AVUAUBRLOSKQCX-QGZVFWFLSA-N 2 2 370.457 0.919 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000371605685 489490322 /nfs/dbraw/zinc/49/03/22/489490322.db2.gz AVUAUBRLOSKQCX-QGZVFWFLSA-N 2 2 370.457 0.919 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@H](C)[NH2+]1 ZINC000423115234 489494070 /nfs/dbraw/zinc/49/40/70/489494070.db2.gz MZYWPHSTLASHCO-GJZGRUSLSA-N 2 2 364.515 0.644 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000570709445 491259473 /nfs/dbraw/zinc/25/94/73/491259473.db2.gz ZPJIPPJQDLFFDW-ARFHVFGLSA-N 2 2 357.458 0.316 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423239800 489506239 /nfs/dbraw/zinc/50/62/39/489506239.db2.gz BRVVFLUTSWIJKA-IYBDPMFKSA-N 2 2 374.485 0.548 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000423249270 489507121 /nfs/dbraw/zinc/50/71/21/489507121.db2.gz OKPYPEICQZHOQG-INIZCTEOSA-N 2 2 360.458 0.160 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423251232 489507313 /nfs/dbraw/zinc/50/73/13/489507313.db2.gz RQJNFWAKECYVOA-INIZCTEOSA-N 2 2 360.458 0.289 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414783944 489511723 /nfs/dbraw/zinc/51/17/23/489511723.db2.gz HYBKQAPJSHXHLM-HUUCEWRRSA-N 2 2 374.489 0.619 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423300603 489512505 /nfs/dbraw/zinc/51/25/05/489512505.db2.gz SAGARTZKABCJQY-OXQOHEQNSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423300603 489512509 /nfs/dbraw/zinc/51/25/09/489512509.db2.gz SAGARTZKABCJQY-OXQOHEQNSA-N 2 2 358.486 0.917 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000415308602 489514691 /nfs/dbraw/zinc/51/46/91/489514691.db2.gz ZCDQCWDXIWBAKT-RHSMWYFYSA-N 2 2 360.458 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000451701621 489518339 /nfs/dbraw/zinc/51/83/39/489518339.db2.gz HNAUAPBTWJZFTD-ZACQAIPSSA-N 2 2 353.507 0.696 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000451701621 489518343 /nfs/dbraw/zinc/51/83/43/489518343.db2.gz HNAUAPBTWJZFTD-ZACQAIPSSA-N 2 2 353.507 0.696 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415436781 489520937 /nfs/dbraw/zinc/52/09/37/489520937.db2.gz YTURNMNXVGVWLC-INIZCTEOSA-N 2 2 362.474 0.947 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415480964 489524507 /nfs/dbraw/zinc/52/45/07/489524507.db2.gz AJVMJBYDDXKOQI-INIZCTEOSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)[C@H](C)C[NH2+]1 ZINC000415577737 489532704 /nfs/dbraw/zinc/53/27/04/489532704.db2.gz ZCXSHJJNXZFQSM-HZPDHXFCSA-N 2 2 373.501 0.581 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000415598046 489534461 /nfs/dbraw/zinc/53/44/61/489534461.db2.gz KCCDJVHXAJVNIJ-INIZCTEOSA-N 2 2 356.382 0.999 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCO1 ZINC000415608372 489536147 /nfs/dbraw/zinc/53/61/47/489536147.db2.gz RXCLGKMFOJRJII-AWEZNQCLSA-N 2 2 371.441 0.887 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415641402 489538831 /nfs/dbraw/zinc/53/88/31/489538831.db2.gz GBQCSWMPYISCLZ-HOTGVXAUSA-N 2 2 360.458 0.843 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415671006 489540555 /nfs/dbraw/zinc/54/05/55/489540555.db2.gz IXAZZZHCARKREU-IYBDPMFKSA-N 2 2 358.442 0.135 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415692645 489542102 /nfs/dbraw/zinc/54/21/02/489542102.db2.gz YPJSOSDBRWCKGI-HOCLYGCPSA-N 2 2 360.458 0.714 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415747368 489549557 /nfs/dbraw/zinc/54/95/57/489549557.db2.gz OOMOPCAJBFIEHJ-NVXWUHKLSA-N 2 2 372.469 0.525 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984316 489551835 /nfs/dbraw/zinc/55/18/35/489551835.db2.gz HMDSIGINWIMXJE-HUUCEWRRSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984316 489551838 /nfs/dbraw/zinc/55/18/38/489551838.db2.gz HMDSIGINWIMXJE-HUUCEWRRSA-N 2 2 353.511 0.698 20 0 FCADLP COC(=O)C1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000426014643 489553020 /nfs/dbraw/zinc/55/30/20/489553020.db2.gz DGMKNCPLEMLOGA-GPANFISMSA-N 2 2 353.463 0.241 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000426041377 489553701 /nfs/dbraw/zinc/55/37/01/489553701.db2.gz DWQYUFGHCXIOPJ-GJZGRUSLSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000426041377 489553703 /nfs/dbraw/zinc/55/37/03/489553703.db2.gz DWQYUFGHCXIOPJ-GJZGRUSLSA-N 2 2 353.511 0.698 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036067 489553804 /nfs/dbraw/zinc/55/38/04/489553804.db2.gz MANJOIAAQSAGEG-IRXDYDNUSA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036067 489553806 /nfs/dbraw/zinc/55/38/06/489553806.db2.gz MANJOIAAQSAGEG-IRXDYDNUSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000426207489 489559185 /nfs/dbraw/zinc/55/91/85/489559185.db2.gz WEGDSHJYIBYGHO-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000426207489 489559188 /nfs/dbraw/zinc/55/91/88/489559188.db2.gz WEGDSHJYIBYGHO-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000555656412 491262769 /nfs/dbraw/zinc/26/27/69/491262769.db2.gz RZLFBGJIKKENCD-HUUCEWRRSA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000555656412 491262772 /nfs/dbraw/zinc/26/27/72/491262772.db2.gz RZLFBGJIKKENCD-HUUCEWRRSA-N 2 2 350.463 0.797 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)c1 ZINC000372312363 489569340 /nfs/dbraw/zinc/56/93/40/489569340.db2.gz WFIXUFFERHHICF-WOJBJXKFSA-N 2 2 372.513 0.874 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668494 491264106 /nfs/dbraw/zinc/26/41/06/491264106.db2.gz VLPPUBDQEJFRCK-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668494 491264107 /nfs/dbraw/zinc/26/41/07/491264107.db2.gz VLPPUBDQEJFRCK-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nn1 ZINC000570805051 491265624 /nfs/dbraw/zinc/26/56/24/491265624.db2.gz KDFPFYCMWZIQGC-GFCCVEGCSA-N 2 2 361.475 0.958 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nn1 ZINC000570805051 491265627 /nfs/dbraw/zinc/26/56/27/491265627.db2.gz KDFPFYCMWZIQGC-GFCCVEGCSA-N 2 2 361.475 0.958 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000427857169 489623654 /nfs/dbraw/zinc/62/36/54/489623654.db2.gz YJZZSDQDFJXOSI-KRWDZBQOSA-N 2 2 362.474 0.914 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000427857169 489623655 /nfs/dbraw/zinc/62/36/55/489623655.db2.gz YJZZSDQDFJXOSI-KRWDZBQOSA-N 2 2 362.474 0.914 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccco1 ZINC000416808578 489629846 /nfs/dbraw/zinc/62/98/46/489629846.db2.gz IIWAJPMMEZXBEC-HUUCEWRRSA-N 2 2 363.462 0.488 20 0 FCADLP COCC[NH2+]CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416890575 489632983 /nfs/dbraw/zinc/63/29/83/489632983.db2.gz SXAQLXHYSAIDCX-GOSISDBHSA-N 2 2 364.490 0.904 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000372755388 489634114 /nfs/dbraw/zinc/63/41/14/489634114.db2.gz BGQBHPFPIUPIQG-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000372755388 489634117 /nfs/dbraw/zinc/63/41/17/489634117.db2.gz BGQBHPFPIUPIQG-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000372755388 489634119 /nfs/dbraw/zinc/63/41/19/489634119.db2.gz BGQBHPFPIUPIQG-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000372755388 489634122 /nfs/dbraw/zinc/63/41/22/489634122.db2.gz BGQBHPFPIUPIQG-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP CC[C@@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000372823647 489639829 /nfs/dbraw/zinc/63/98/29/489639829.db2.gz JBQKHUAQLYQPBI-RYRKJORJSA-N 2 2 361.490 0.990 20 0 FCADLP CCCN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000417155503 489643833 /nfs/dbraw/zinc/64/38/33/489643833.db2.gz LHIRETZOZQVNHJ-MRXNPFEDSA-N 2 2 361.494 0.382 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000417272954 489646228 /nfs/dbraw/zinc/64/62/28/489646228.db2.gz RTUIDAHEXNJLQL-RHSMWYFYSA-N 2 2 356.536 0.963 20 0 FCADLP CC[C@H]([NH3+])CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417300524 489647299 /nfs/dbraw/zinc/64/72/99/489647299.db2.gz UIEWONAECDIYED-INIZCTEOSA-N 2 2 350.463 0.934 20 0 FCADLP C[C@H](C[NH3+])N(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417320365 489647904 /nfs/dbraw/zinc/64/79/04/489647904.db2.gz PWFLYKBCVSPRHY-OAHLLOKOSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000457559606 489648997 /nfs/dbraw/zinc/64/89/97/489648997.db2.gz AGWFDIWZSDBFKX-UHFFFAOYSA-N 2 2 373.432 0.905 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417362040 489649897 /nfs/dbraw/zinc/64/98/97/489649897.db2.gz DGTLESWUJSBUFS-OAHLLOKOSA-N 2 2 362.478 0.275 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417368750 489650442 /nfs/dbraw/zinc/65/04/42/489650442.db2.gz OWLYQIXKEXAQBT-INIZCTEOSA-N 2 2 374.489 0.643 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000457633017 489652402 /nfs/dbraw/zinc/65/24/02/489652402.db2.gz GHACUIJOPVGFQZ-CALCHBBNSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000457633017 489652407 /nfs/dbraw/zinc/65/24/07/489652407.db2.gz GHACUIJOPVGFQZ-CALCHBBNSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](C[NH3+])N(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417628520 489660040 /nfs/dbraw/zinc/66/00/40/489660040.db2.gz PIGYWXQMJACVAU-HNNXBMFYSA-N 2 2 353.511 0.700 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805738 491270055 /nfs/dbraw/zinc/27/00/55/491270055.db2.gz KBLXQBASGPKMBZ-COXVUDFISA-N 2 2 358.442 0.937 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805738 491270058 /nfs/dbraw/zinc/27/00/58/491270058.db2.gz KBLXQBASGPKMBZ-COXVUDFISA-N 2 2 358.442 0.937 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224498 489680216 /nfs/dbraw/zinc/68/02/16/489680216.db2.gz VDXOTSQPHCUFKQ-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224498 489680218 /nfs/dbraw/zinc/68/02/18/489680218.db2.gz VDXOTSQPHCUFKQ-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224498 489680219 /nfs/dbraw/zinc/68/02/19/489680219.db2.gz VDXOTSQPHCUFKQ-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373224498 489680222 /nfs/dbraw/zinc/68/02/22/489680222.db2.gz VDXOTSQPHCUFKQ-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP COC[C@]1(C(=O)OC)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458604639 489690873 /nfs/dbraw/zinc/69/08/73/489690873.db2.gz VPOIWLKEDKSKFO-SFHVURJKSA-N 2 2 370.494 0.234 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)NCC[NH3+])CC2)cc(OC)c1OC ZINC000418308689 489690989 /nfs/dbraw/zinc/69/09/89/489690989.db2.gz VCSHRQUDQGQYLC-UHFFFAOYSA-N 2 2 352.435 0.498 20 0 FCADLP C[NH2+]CCCNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418311245 489691200 /nfs/dbraw/zinc/69/12/00/489691200.db2.gz QFLOGJHAGDHEHR-UHFFFAOYSA-N 2 2 365.453 0.492 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429682568 489696778 /nfs/dbraw/zinc/69/67/78/489696778.db2.gz ZBDPPUWRUFHLBJ-RTBURBONSA-N 3 2 365.566 0.641 20 0 FCADLP CC(C)([NH3+])CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418412835 489697524 /nfs/dbraw/zinc/69/75/24/489697524.db2.gz IIPLLIZZWKXAGM-UHFFFAOYSA-N 2 2 365.453 0.620 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418442208 489698245 /nfs/dbraw/zinc/69/82/45/489698245.db2.gz JGVOMFDSHWPXNY-HOTGVXAUSA-N 2 2 369.510 0.078 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000418516866 489703798 /nfs/dbraw/zinc/70/37/98/489703798.db2.gz SZJNJSDZPPHAMS-UHFFFAOYSA-N 2 2 371.432 0.910 20 0 FCADLP CN(C(=O)CC(C)(F)F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000469367269 489704529 /nfs/dbraw/zinc/70/45/29/489704529.db2.gz LDIMILWBIVGVFD-UHFFFAOYSA-N 2 2 360.449 0.729 20 0 FCADLP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000563849109 491272788 /nfs/dbraw/zinc/27/27/88/491272788.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@H]2CC[NH+](C3CC3)C2)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000563849109 491272791 /nfs/dbraw/zinc/27/27/91/491272791.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(NC[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849109 491272794 /nfs/dbraw/zinc/27/27/94/491272794.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(NC[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849109 491272796 /nfs/dbraw/zinc/27/27/96/491272796.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(NC[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849109 491272799 /nfs/dbraw/zinc/27/27/99/491272799.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(NC[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000563849109 491272802 /nfs/dbraw/zinc/27/28/02/491272802.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@@H]2CC[NH+](C3CC3)C2)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000563849109 491272804 /nfs/dbraw/zinc/27/28/04/491272804.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP Cc1nc(NC[C@@H]2CC[NH+](C3CC3)C2)nc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000563849109 491272807 /nfs/dbraw/zinc/27/28/07/491272807.db2.gz LDVVKEFIBCYIDU-IYBDPMFKSA-N 3 2 371.533 0.816 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000469549019 489712293 /nfs/dbraw/zinc/71/22/93/489712293.db2.gz GCHMWHWANGKYEY-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864017 491273588 /nfs/dbraw/zinc/27/35/88/491273588.db2.gz FRFVMSXJDZWAPH-BRWVUGGUSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000563864017 491273589 /nfs/dbraw/zinc/27/35/89/491273589.db2.gz FRFVMSXJDZWAPH-BRWVUGGUSA-N 2 2 358.442 0.804 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000430063653 489718434 /nfs/dbraw/zinc/71/84/34/489718434.db2.gz DXLNAHSTLYRHCG-SJORKVTESA-N 2 2 368.441 0.037 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000459193301 489722139 /nfs/dbraw/zinc/72/21/39/489722139.db2.gz ZZPKWSSIGWZEFT-QZTJIDSGSA-N 2 2 357.458 0.897 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000459193301 489722144 /nfs/dbraw/zinc/72/21/44/489722144.db2.gz ZZPKWSSIGWZEFT-QZTJIDSGSA-N 2 2 357.458 0.897 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000459193307 489722265 /nfs/dbraw/zinc/72/22/65/489722265.db2.gz ZZPKWSSIGWZEFT-ROUUACIJSA-N 2 2 357.458 0.897 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000459193307 489722271 /nfs/dbraw/zinc/72/22/71/489722271.db2.gz ZZPKWSSIGWZEFT-ROUUACIJSA-N 2 2 357.458 0.897 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489769112 489727410 /nfs/dbraw/zinc/72/74/10/489727410.db2.gz OKFBFHMZLUKUNZ-RHSMWYFYSA-N 2 2 359.474 0.353 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418791668 489727689 /nfs/dbraw/zinc/72/76/89/489727689.db2.gz OCEMDHIOVCDYOZ-OTWHNJEPSA-N 2 2 374.485 0.660 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418791668 489727691 /nfs/dbraw/zinc/72/76/91/489727691.db2.gz OCEMDHIOVCDYOZ-OTWHNJEPSA-N 2 2 374.485 0.660 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489803263 489728822 /nfs/dbraw/zinc/72/88/22/489728822.db2.gz UHYLTLGPJOCTOU-GOEBONIOSA-N 2 2 351.495 0.513 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCc1ccc(Cl)cc1 ZINC000489908984 489734923 /nfs/dbraw/zinc/73/49/23/489734923.db2.gz OWJXJUVLSCDZLB-KRWDZBQOSA-N 2 2 350.894 0.978 20 0 FCADLP COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489944252 489736832 /nfs/dbraw/zinc/73/68/32/489736832.db2.gz XVOSNHPZOQVUFE-KRWDZBQOSA-N 2 2 358.486 0.954 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCc1cnn(-c2ccccc2)c1 ZINC000489934978 489736865 /nfs/dbraw/zinc/73/68/65/489736865.db2.gz NPAZZSFJHNOTSP-IBGZPJMESA-N 2 2 368.485 0.468 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000418829385 489743486 /nfs/dbraw/zinc/74/34/86/489743486.db2.gz IQRRNEJMLLYNIJ-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000418829385 489743488 /nfs/dbraw/zinc/74/34/88/489743488.db2.gz IQRRNEJMLLYNIJ-RYRKJORJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@](C[NH3+])([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000430546790 489745290 /nfs/dbraw/zinc/74/52/90/489745290.db2.gz KDGHWOLUWQJHTF-DOTOQJQBSA-N 2 2 357.520 0.662 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833766 489745621 /nfs/dbraw/zinc/74/56/21/489745621.db2.gz NPAZRXXLEFMONQ-SFHVURJKSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833766 489745624 /nfs/dbraw/zinc/74/56/24/489745624.db2.gz NPAZRXXLEFMONQ-SFHVURJKSA-N 2 2 374.485 0.262 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430558878 489746451 /nfs/dbraw/zinc/74/64/51/489746451.db2.gz ZBOSPJLTWRXQMG-OAHLLOKOSA-N 2 2 358.464 0.244 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568551 489747139 /nfs/dbraw/zinc/74/71/39/489747139.db2.gz CYAPBXXELVSXQK-IUODEOHRSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568551 489747142 /nfs/dbraw/zinc/74/71/42/489747142.db2.gz CYAPBXXELVSXQK-IUODEOHRSA-N 2 2 356.492 0.966 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835523 489747350 /nfs/dbraw/zinc/74/73/50/489747350.db2.gz PWNFFKCXEYLOPX-MSOLQXFVSA-N 2 2 374.485 0.072 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835523 489747354 /nfs/dbraw/zinc/74/73/54/489747354.db2.gz PWNFFKCXEYLOPX-MSOLQXFVSA-N 2 2 374.485 0.072 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418837381 489747677 /nfs/dbraw/zinc/74/76/77/489747677.db2.gz SQACGOXKHFFNAF-XLIONFOSSA-N 2 2 374.485 0.201 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418837381 489747682 /nfs/dbraw/zinc/74/76/82/489747682.db2.gz SQACGOXKHFFNAF-XLIONFOSSA-N 2 2 374.485 0.201 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430583610 489748415 /nfs/dbraw/zinc/74/84/15/489748415.db2.gz NJBBFNPXBXTVFE-MRXNPFEDSA-N 2 2 370.519 0.298 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430583610 489748417 /nfs/dbraw/zinc/74/84/17/489748417.db2.gz NJBBFNPXBXTVFE-MRXNPFEDSA-N 2 2 370.519 0.298 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430591342 489749623 /nfs/dbraw/zinc/74/96/23/489749623.db2.gz APHZVGAVXWUGGB-AWEZNQCLSA-N 2 2 356.492 0.886 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430591342 489749627 /nfs/dbraw/zinc/74/96/27/489749627.db2.gz APHZVGAVXWUGGB-AWEZNQCLSA-N 2 2 356.492 0.886 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000418839356 489749777 /nfs/dbraw/zinc/74/97/77/489749777.db2.gz WPBBKLHXPYISHP-ABHNRTSZSA-N 2 2 374.485 0.390 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000418839356 489749781 /nfs/dbraw/zinc/74/97/81/489749781.db2.gz WPBBKLHXPYISHP-ABHNRTSZSA-N 2 2 374.485 0.390 20 0 FCADLP O=C([C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430602189 489750853 /nfs/dbraw/zinc/75/08/53/489750853.db2.gz GMBKZFKMVHXGDA-MRXNPFEDSA-N 2 2 365.499 0.604 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430602189 489750858 /nfs/dbraw/zinc/75/08/58/489750858.db2.gz GMBKZFKMVHXGDA-MRXNPFEDSA-N 2 2 365.499 0.604 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)cn2c1 ZINC000418844167 489751932 /nfs/dbraw/zinc/75/19/32/489751932.db2.gz JOUOJPIGUHEETK-OCCSQVGLSA-N 2 2 359.430 0.488 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000430606985 489752212 /nfs/dbraw/zinc/75/22/12/489752212.db2.gz AXUPIUZLWSAJPS-CYBMUJFWSA-N 2 2 364.446 0.394 20 0 FCADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000430606985 489752214 /nfs/dbraw/zinc/75/22/14/489752214.db2.gz AXUPIUZLWSAJPS-CYBMUJFWSA-N 2 2 364.446 0.394 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000430610862 489753069 /nfs/dbraw/zinc/75/30/69/489753069.db2.gz LVYJUXILOXVNOK-UHFFFAOYSA-N 2 2 354.476 0.559 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430610862 489753071 /nfs/dbraw/zinc/75/30/71/489753071.db2.gz LVYJUXILOXVNOK-UHFFFAOYSA-N 2 2 354.476 0.559 20 0 FCADLP CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430619316 489754976 /nfs/dbraw/zinc/75/49/76/489754976.db2.gz AYTZMFQAJGFYSA-ZDUSSCGKSA-N 2 2 351.476 0.745 20 0 FCADLP CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000430619316 489754978 /nfs/dbraw/zinc/75/49/78/489754978.db2.gz AYTZMFQAJGFYSA-ZDUSSCGKSA-N 2 2 351.476 0.745 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000459809566 489755593 /nfs/dbraw/zinc/75/55/93/489755593.db2.gz IMBUGZOIPKMZLZ-GOSISDBHSA-N 2 2 358.486 0.536 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000459809566 489755597 /nfs/dbraw/zinc/75/55/97/489755597.db2.gz IMBUGZOIPKMZLZ-GOSISDBHSA-N 2 2 358.486 0.536 20 0 FCADLP CN(C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000430637891 489760040 /nfs/dbraw/zinc/76/00/40/489760040.db2.gz DJEXCJZKGJQOKH-SFHVURJKSA-N 2 2 358.486 0.886 20 0 FCADLP CN(C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000430637891 489760045 /nfs/dbraw/zinc/76/00/45/489760045.db2.gz DJEXCJZKGJQOKH-SFHVURJKSA-N 2 2 358.486 0.886 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000430640318 489760700 /nfs/dbraw/zinc/76/07/00/489760700.db2.gz HBAAUHCBTKKIQJ-UHFFFAOYSA-N 2 2 361.446 0.315 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000430640318 489760702 /nfs/dbraw/zinc/76/07/02/489760702.db2.gz HBAAUHCBTKKIQJ-UHFFFAOYSA-N 2 2 361.446 0.315 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1nccs1 ZINC000430652429 489763027 /nfs/dbraw/zinc/76/30/27/489763027.db2.gz XJDJQAMKJXQPAQ-ZDUSSCGKSA-N 2 2 351.476 0.250 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1nccs1 ZINC000430652429 489763030 /nfs/dbraw/zinc/76/30/30/489763030.db2.gz XJDJQAMKJXQPAQ-ZDUSSCGKSA-N 2 2 351.476 0.250 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000430732113 489767868 /nfs/dbraw/zinc/76/78/68/489767868.db2.gz YYTLJDPQPBOUMM-QGZVFWFLSA-N 2 2 350.507 0.827 20 0 FCADLP CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459847871 489767979 /nfs/dbraw/zinc/76/79/79/489767979.db2.gz DHIUJRKSUTVCIO-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459847871 489767982 /nfs/dbraw/zinc/76/79/82/489767982.db2.gz DHIUJRKSUTVCIO-HOTGVXAUSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000418874182 489768609 /nfs/dbraw/zinc/76/86/09/489768609.db2.gz ISRJLYYLIKAOFV-IUODEOHRSA-N 2 2 352.866 0.927 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000555858469 491277597 /nfs/dbraw/zinc/27/75/97/491277597.db2.gz XGBDJWRZBPCUMU-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC000555858469 491277598 /nfs/dbraw/zinc/27/75/98/491277598.db2.gz XGBDJWRZBPCUMU-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000555857301 491277619 /nfs/dbraw/zinc/27/76/19/491277619.db2.gz HADPVZJDOAKQMW-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474569907 489770082 /nfs/dbraw/zinc/77/00/82/489770082.db2.gz HNXGEEAILFSLKM-HOTGVXAUSA-N 2 2 364.494 0.909 20 0 FCADLP CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474569907 489770087 /nfs/dbraw/zinc/77/00/87/489770087.db2.gz HNXGEEAILFSLKM-HOTGVXAUSA-N 2 2 364.494 0.909 20 0 FCADLP C[NH2+]CC1CC[NH+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000430920666 489777081 /nfs/dbraw/zinc/77/70/81/489777081.db2.gz PWEQJQPYCVVWIQ-KRWDZBQOSA-N 2 2 371.547 0.876 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1C ZINC000430930498 489778007 /nfs/dbraw/zinc/77/80/07/489778007.db2.gz SXLRVOKROWRSRI-GXTWGEPZSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1C ZINC000430930498 489778010 /nfs/dbraw/zinc/77/80/10/489778010.db2.gz SXLRVOKROWRSRI-GXTWGEPZSA-N 2 2 354.476 0.511 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430927930 489778172 /nfs/dbraw/zinc/77/81/72/489778172.db2.gz SAPZUMASFIEDPX-XQQFMLRXSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430927930 489778176 /nfs/dbraw/zinc/77/81/76/489778176.db2.gz SAPZUMASFIEDPX-XQQFMLRXSA-N 2 2 354.476 0.720 20 0 FCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430929439 489778804 /nfs/dbraw/zinc/77/88/04/489778804.db2.gz WZDDMSXZGOSMLZ-LBPRGKRZSA-N 2 2 370.475 0.165 20 0 FCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430929439 489778807 /nfs/dbraw/zinc/77/88/07/489778807.db2.gz WZDDMSXZGOSMLZ-LBPRGKRZSA-N 2 2 370.475 0.165 20 0 FCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940132 489779445 /nfs/dbraw/zinc/77/94/45/489779445.db2.gz NWRVAWQGYNJKDE-QGZVFWFLSA-N 3 2 358.486 0.546 20 0 FCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430940132 489779449 /nfs/dbraw/zinc/77/94/49/489779449.db2.gz NWRVAWQGYNJKDE-QGZVFWFLSA-N 3 2 358.486 0.546 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947523 489780695 /nfs/dbraw/zinc/78/06/95/489780695.db2.gz BKRUBFFMUHYZTF-QFBILLFUSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947523 489780698 /nfs/dbraw/zinc/78/06/98/489780698.db2.gz BKRUBFFMUHYZTF-QFBILLFUSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430951774 489780829 /nfs/dbraw/zinc/78/08/29/489780829.db2.gz NDTRXLRSVSADNR-CHWSQXEVSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430951774 489780833 /nfs/dbraw/zinc/78/08/33/489780833.db2.gz NDTRXLRSVSADNR-CHWSQXEVSA-N 2 2 354.476 0.545 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430951633 489780901 /nfs/dbraw/zinc/78/09/01/489780901.db2.gz MPDMJPNDELUUKS-CYBMUJFWSA-N 2 2 354.476 0.464 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430951633 489780905 /nfs/dbraw/zinc/78/09/05/489780905.db2.gz MPDMJPNDELUUKS-CYBMUJFWSA-N 2 2 354.476 0.464 20 0 FCADLP CN(C(=O)[C@H]1CCSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000474701741 489781652 /nfs/dbraw/zinc/78/16/52/489781652.db2.gz ACWCYPDVRRKSBV-HNNXBMFYSA-N 2 2 368.547 0.436 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968803 489783085 /nfs/dbraw/zinc/78/30/85/489783085.db2.gz XKSDAPVWCOFOGE-HIFRSBDPSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968803 489783091 /nfs/dbraw/zinc/78/30/91/489783091.db2.gz XKSDAPVWCOFOGE-HIFRSBDPSA-N 2 2 352.504 0.882 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431034814 489786762 /nfs/dbraw/zinc/78/67/62/489786762.db2.gz AFQHOXVVQZMGEQ-QGZVFWFLSA-N 2 2 370.457 0.423 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431081290 489788157 /nfs/dbraw/zinc/78/81/57/489788157.db2.gz DPXRXXCNAPIJON-UHFFFAOYSA-N 2 2 352.483 0.640 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431081290 489788161 /nfs/dbraw/zinc/78/81/61/489788161.db2.gz DPXRXXCNAPIJON-UHFFFAOYSA-N 2 2 352.483 0.640 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000418916440 489789555 /nfs/dbraw/zinc/78/95/55/489789555.db2.gz RSYVMXDOTUJJKU-IYBDPMFKSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000555876249 491279016 /nfs/dbraw/zinc/27/90/16/491279016.db2.gz GULLHNFYBIFBNH-GASCZTMLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000555876249 491279017 /nfs/dbraw/zinc/27/90/17/491279017.db2.gz GULLHNFYBIFBNH-GASCZTMLSA-N 2 2 366.506 0.297 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000418918009 489791559 /nfs/dbraw/zinc/79/15/59/489791559.db2.gz UXQVDOPCEVGQPT-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000491079024 489794012 /nfs/dbraw/zinc/79/40/12/489794012.db2.gz XOUFIACKSNFUNZ-OLZOCXBDSA-N 2 2 353.385 0.477 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000418943130 489798661 /nfs/dbraw/zinc/79/86/61/489798661.db2.gz MIWAATRBMIOIRK-ZIAGYGMSSA-N 2 2 364.515 0.727 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000418943130 489798664 /nfs/dbraw/zinc/79/86/64/489798664.db2.gz MIWAATRBMIOIRK-ZIAGYGMSSA-N 2 2 364.515 0.727 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418941974 489798799 /nfs/dbraw/zinc/79/87/99/489798799.db2.gz KYYRFCBYJQXPHI-KBPBESRZSA-N 2 2 350.488 0.609 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418941974 489798803 /nfs/dbraw/zinc/79/88/03/489798803.db2.gz KYYRFCBYJQXPHI-KBPBESRZSA-N 2 2 350.488 0.609 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000376801877 489798806 /nfs/dbraw/zinc/79/88/06/489798806.db2.gz NXNBGVNEAROSPD-FGTMMUONSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000376801877 489798808 /nfs/dbraw/zinc/79/88/08/489798808.db2.gz NXNBGVNEAROSPD-FGTMMUONSA-N 2 2 368.522 0.848 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418948412 489800808 /nfs/dbraw/zinc/80/08/08/489800808.db2.gz UCMHMBJONXXKHJ-UONOGXRCSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418948412 489800809 /nfs/dbraw/zinc/80/08/09/489800809.db2.gz UCMHMBJONXXKHJ-UONOGXRCSA-N 2 2 364.515 0.808 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC(C)(C)C1 ZINC000459993768 489811792 /nfs/dbraw/zinc/81/17/92/489811792.db2.gz SVVQUPYCHCGQBJ-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC(C)(C)C1 ZINC000459993768 489811795 /nfs/dbraw/zinc/81/17/95/489811795.db2.gz SVVQUPYCHCGQBJ-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(C(=O)[C@H]1COCCN1CC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376890269 489813240 /nfs/dbraw/zinc/81/32/40/489813240.db2.gz XKZPCDWVDIQIIY-HZPDHXFCSA-N 2 2 374.476 0.579 20 0 FCADLP CN(C(=O)[C@H]1COCCN1CC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376890269 489813241 /nfs/dbraw/zinc/81/32/41/489813241.db2.gz XKZPCDWVDIQIIY-HZPDHXFCSA-N 2 2 374.476 0.579 20 0 FCADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492143191 489819190 /nfs/dbraw/zinc/81/91/90/489819190.db2.gz LSUMTTKPXCOZGP-OAHLLOKOSA-N 2 2 360.418 0.141 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000431983497 489825868 /nfs/dbraw/zinc/82/58/68/489825868.db2.gz WPKGEEFUNRATEW-CYBMUJFWSA-N 2 2 372.429 0.567 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H](C)[NH2+]1 ZINC000419034461 489827388 /nfs/dbraw/zinc/82/73/88/489827388.db2.gz ZPRUSTMPYKXXOU-BETUJISGSA-N 2 2 359.405 0.836 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060208 489839003 /nfs/dbraw/zinc/83/90/03/489839003.db2.gz DXFFZEHQTXVDCO-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060208 489839007 /nfs/dbraw/zinc/83/90/07/489839007.db2.gz DXFFZEHQTXVDCO-OWCLPIDISA-N 2 2 368.522 0.591 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000419060662 489839243 /nfs/dbraw/zinc/83/92/43/489839243.db2.gz FIYWUZWHBRZEPW-KBXIAJHMSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC[NH2+]1 ZINC000419067441 489842605 /nfs/dbraw/zinc/84/26/05/489842605.db2.gz DLINKVZPZDQBOH-IUODEOHRSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC2(CCOCC2)O1 ZINC000377046873 489843013 /nfs/dbraw/zinc/84/30/13/489843013.db2.gz NVFBVHBRBCGXDB-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460075075 489843501 /nfs/dbraw/zinc/84/35/01/489843501.db2.gz KLIXMQSBFBXFAT-SJORKVTESA-N 2 2 364.490 0.006 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)C1 ZINC000571052635 491282766 /nfs/dbraw/zinc/28/27/66/491282766.db2.gz ZPRAGZXFPMLLBB-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)C1 ZINC000571052635 491282767 /nfs/dbraw/zinc/28/27/67/491282767.db2.gz ZPRAGZXFPMLLBB-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000571052635 491282769 /nfs/dbraw/zinc/28/27/69/491282769.db2.gz ZPRAGZXFPMLLBB-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000571052635 491282771 /nfs/dbraw/zinc/28/27/71/491282771.db2.gz ZPRAGZXFPMLLBB-JYJNAYRXSA-N 2 2 352.458 0.726 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@H](C)[NH2+]1 ZINC000419085260 489850608 /nfs/dbraw/zinc/85/06/08/489850608.db2.gz VNGONSVVBRTJKY-ZENOOKHLSA-N 2 2 373.432 0.974 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000460176379 489853876 /nfs/dbraw/zinc/85/38/76/489853876.db2.gz XFCOGGIYKRIQAR-GOSISDBHSA-N 2 2 369.554 0.766 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000419107077 489857486 /nfs/dbraw/zinc/85/74/86/489857486.db2.gz OHDGNMLDPBVMHH-CYBMUJFWSA-N 2 2 367.881 0.042 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000493799713 489858021 /nfs/dbraw/zinc/85/80/21/489858021.db2.gz VZMSRDFSSIMPAE-CALCHBBNSA-N 2 2 360.502 0.817 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419111996 489859757 /nfs/dbraw/zinc/85/97/57/489859757.db2.gz DWZHVKUULIIVDY-KRWDZBQOSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419112425 489859917 /nfs/dbraw/zinc/85/99/17/489859917.db2.gz FLVYACQYJGDYCC-ZACQAIPSSA-N 2 2 368.522 0.578 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000419111997 489860137 /nfs/dbraw/zinc/86/01/37/489860137.db2.gz DWZHVKUULIIVDY-QGZVFWFLSA-N 2 2 368.522 0.308 20 0 FCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000460271590 489860309 /nfs/dbraw/zinc/86/03/09/489860309.db2.gz ZRZZFDOJKLVBAF-IBGZPJMESA-N 2 2 357.458 0.992 20 0 FCADLP C[N@H+]1CC[C@](O)(CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000460271590 489860311 /nfs/dbraw/zinc/86/03/11/489860311.db2.gz ZRZZFDOJKLVBAF-IBGZPJMESA-N 2 2 357.458 0.992 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419114071 489860839 /nfs/dbraw/zinc/86/08/39/489860839.db2.gz HQUYZYVSFKGUJT-HXUWFJFHSA-N 2 2 371.485 0.900 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419116286 489862285 /nfs/dbraw/zinc/86/22/85/489862285.db2.gz LJBHSOCZPFQTBE-XHSDSOJGSA-N 2 2 354.495 0.188 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419116788 489862638 /nfs/dbraw/zinc/86/26/38/489862638.db2.gz LKTOKYNNCPQUIZ-ZBFHGGJFSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119837 489864485 /nfs/dbraw/zinc/86/44/85/489864485.db2.gz PKXJGFCUILLROH-APWZRJJASA-N 2 2 368.522 0.355 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419124524 489868300 /nfs/dbraw/zinc/86/83/00/489868300.db2.gz XLWIWQWWSQXGDB-HOTGVXAUSA-N 2 2 354.495 0.093 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000433180117 489870854 /nfs/dbraw/zinc/87/08/54/489870854.db2.gz VDRLZIRLWCENSD-UHFFFAOYSA-N 3 2 364.494 0.357 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000419991310 489874630 /nfs/dbraw/zinc/87/46/30/489874630.db2.gz IIWGNZFYKMNQEF-CYBMUJFWSA-N 2 2 362.478 0.411 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCOC(C)(C)C2)CCCO1 ZINC000433333167 489876242 /nfs/dbraw/zinc/87/62/42/489876242.db2.gz FSXBJPKSTQZZBE-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCOC(C)(C)C2)CCCO1 ZINC000433333167 489876244 /nfs/dbraw/zinc/87/62/44/489876244.db2.gz FSXBJPKSTQZZBE-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCO1 ZINC000433333167 489876246 /nfs/dbraw/zinc/87/62/46/489876246.db2.gz FSXBJPKSTQZZBE-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCO1 ZINC000433333167 489876248 /nfs/dbraw/zinc/87/62/48/489876248.db2.gz FSXBJPKSTQZZBE-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000420027687 489885439 /nfs/dbraw/zinc/88/54/39/489885439.db2.gz DGFIXWUWQKYBDL-KBXCAEBGSA-N 2 2 374.485 0.754 20 0 FCADLP CC[C@@H]1CN(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000494491874 489893224 /nfs/dbraw/zinc/89/32/24/489893224.db2.gz KHMJEWVNZVASCZ-LJQANCHMSA-N 2 2 354.539 0.483 20 0 FCADLP CC[C@@H]1CN(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000494491874 489893227 /nfs/dbraw/zinc/89/32/27/489893227.db2.gz KHMJEWVNZVASCZ-LJQANCHMSA-N 2 2 354.539 0.483 20 0 FCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000476526319 489897434 /nfs/dbraw/zinc/89/74/34/489897434.db2.gz SOSYHAIEKOZBJM-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420067446 489901605 /nfs/dbraw/zinc/90/16/05/489901605.db2.gz YANBYUPEVDKCHK-QAPCUYQASA-N 2 2 373.501 0.921 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494655408 489902153 /nfs/dbraw/zinc/90/21/53/489902153.db2.gz QHYRKBBYSCFQTB-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000433925572 489904219 /nfs/dbraw/zinc/90/42/19/489904219.db2.gz HFKFSDWCCBESHG-UHFFFAOYSA-N 2 2 354.495 0.651 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000494698722 489905746 /nfs/dbraw/zinc/90/57/46/489905746.db2.gz KFFKDHXEAZBJGZ-JZXOWHBKSA-N 2 2 368.522 0.498 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000433940878 489905759 /nfs/dbraw/zinc/90/57/59/489905759.db2.gz LMUXJEZGNDYBSX-HNNXBMFYSA-N 2 2 368.478 0.130 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000433940878 489905760 /nfs/dbraw/zinc/90/57/60/489905760.db2.gz LMUXJEZGNDYBSX-HNNXBMFYSA-N 2 2 368.478 0.130 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2)[nH+]c1 ZINC000377453822 489906207 /nfs/dbraw/zinc/90/62/07/489906207.db2.gz RANHABIBKODWPN-UHFFFAOYSA-N 2 2 359.474 0.626 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2)[nH+]c1 ZINC000377453822 489906210 /nfs/dbraw/zinc/90/62/10/489906210.db2.gz RANHABIBKODWPN-UHFFFAOYSA-N 2 2 359.474 0.626 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000494698723 489906477 /nfs/dbraw/zinc/90/64/77/489906477.db2.gz KFFKDHXEAZBJGZ-LZLYRXPVSA-N 2 2 368.522 0.498 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCC1 ZINC000420089548 489908666 /nfs/dbraw/zinc/90/86/66/489908666.db2.gz JVFLCUFPLIIIJS-UHFFFAOYSA-N 2 2 360.458 0.207 20 0 FCADLP CC(C)[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000434001019 489909614 /nfs/dbraw/zinc/90/96/14/489909614.db2.gz ARZWCOOTMRUMHU-ROUUACIJSA-N 2 2 369.554 0.621 20 0 FCADLP CC(C)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000434001021 489909983 /nfs/dbraw/zinc/90/99/83/489909983.db2.gz ARZWCOOTMRUMHU-ZWKOTPCHSA-N 2 2 369.554 0.621 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420132088 489923522 /nfs/dbraw/zinc/92/35/22/489923522.db2.gz ADJIMBBSYSALLC-DAXSKMNVSA-N 2 2 368.481 0.880 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000420134541 489924954 /nfs/dbraw/zinc/92/49/54/489924954.db2.gz UVKNZXUQAZAFDD-ZIAGYGMSSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000420134537 489925014 /nfs/dbraw/zinc/92/50/14/489925014.db2.gz UVKNZXUQAZAFDD-KGLIPLIRSA-N 2 2 350.488 0.649 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434463172 489930863 /nfs/dbraw/zinc/93/08/63/489930863.db2.gz MOJVDNLPUPBTOM-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434465839 489930872 /nfs/dbraw/zinc/93/08/72/489930872.db2.gz SHJLPHLZDOOYTR-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420148355 489931116 /nfs/dbraw/zinc/93/11/16/489931116.db2.gz UIPRGTGLZPPJSP-SJLPKXTDSA-N 2 2 374.485 0.324 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000420152444 489933525 /nfs/dbraw/zinc/93/35/25/489933525.db2.gz DPKDLQNPKHLOKP-OAHLLOKOSA-N 2 2 362.474 0.454 20 0 FCADLP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628806 489933600 /nfs/dbraw/zinc/93/36/00/489933600.db2.gz OMMRTSFSMSZUSK-WMZOPIPTSA-N 2 2 360.506 0.523 20 0 FCADLP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377628806 489933603 /nfs/dbraw/zinc/93/36/03/489933603.db2.gz OMMRTSFSMSZUSK-WMZOPIPTSA-N 2 2 360.506 0.523 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000420172822 489939679 /nfs/dbraw/zinc/93/96/79/489939679.db2.gz WCTGURWKICPQOI-OAGGEKHMSA-N 2 2 366.506 0.060 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000477088318 489940466 /nfs/dbraw/zinc/94/04/66/489940466.db2.gz YZPGDHFSDWPJFB-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420183189 489943418 /nfs/dbraw/zinc/94/34/18/489943418.db2.gz GFJINOADANMSEA-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420183189 489943422 /nfs/dbraw/zinc/94/34/22/489943422.db2.gz GFJINOADANMSEA-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000571179794 491290527 /nfs/dbraw/zinc/29/05/27/491290527.db2.gz BFHSBQOAUVJZML-LSDHHAIUSA-N 2 2 350.467 0.854 20 0 FCADLP C[C@H](CN1CCOCC1)[NH+](C)CCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951285 /nfs/dbraw/zinc/95/12/85/489951285.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 2 2 356.555 0.682 20 0 FCADLP C[C@H](CN1CCOCC1)[NH+](C)CCC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951290 /nfs/dbraw/zinc/95/12/90/489951290.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 2 2 356.555 0.682 20 0 FCADLP C[C@H](CN1CCOCC1)[N@@H+](C)CCC[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951294 /nfs/dbraw/zinc/95/12/94/489951294.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 2 2 356.555 0.682 20 0 FCADLP C[C@H](CN1CCOCC1)[N@H+](C)CCC[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000434709285 489951297 /nfs/dbraw/zinc/95/12/97/489951297.db2.gz FUOSAYMYVMEEFF-KDURUIRLSA-N 2 2 356.555 0.682 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000420215021 489954683 /nfs/dbraw/zinc/95/46/83/489954683.db2.gz VXOIGQIKLHEJNC-UONOGXRCSA-N 2 2 350.488 0.636 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000420219776 489955485 /nfs/dbraw/zinc/95/54/85/489955485.db2.gz YYIXYQZSVLYBDL-FUHWJXTLSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000477291579 489955989 /nfs/dbraw/zinc/95/59/89/489955989.db2.gz AGJNZOORLKBDQR-CLCXKQKWSA-N 2 2 361.490 0.941 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)nc2)CC1 ZINC000420237983 489957072 /nfs/dbraw/zinc/95/70/72/489957072.db2.gz MVSQYJGXSDQMFA-UONOGXRCSA-N 2 2 353.492 0.700 20 0 FCADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359312 489967333 /nfs/dbraw/zinc/96/73/33/489967333.db2.gz VONLSMRIEPCNJU-SNVBAGLBSA-N 2 2 350.282 0.720 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377806696 489960528 /nfs/dbraw/zinc/96/05/28/489960528.db2.gz IFFDRVLXYOWPFP-DLBZAZTESA-N 2 2 350.507 0.635 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCC[C@@H]([NH3+])C3)nc2)CC1 ZINC000420291703 489960733 /nfs/dbraw/zinc/96/07/33/489960733.db2.gz VYRBEPUHSCEITD-LSDHHAIUSA-N 2 2 367.519 0.947 20 0 FCADLP Cn1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc2c1=O ZINC000420319559 489962938 /nfs/dbraw/zinc/96/29/38/489962938.db2.gz XSEZHTHQCLIEJT-CQSZACIVSA-N 2 2 357.458 0.753 20 0 FCADLP Cn1c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc2c1=O ZINC000420319559 489962941 /nfs/dbraw/zinc/96/29/41/489962941.db2.gz XSEZHTHQCLIEJT-CQSZACIVSA-N 2 2 357.458 0.753 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420329311 489963418 /nfs/dbraw/zinc/96/34/18/489963418.db2.gz JGPUTJJFCPNLTL-PKSQDBQZSA-N 2 2 352.460 0.033 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420329311 489963422 /nfs/dbraw/zinc/96/34/22/489963422.db2.gz JGPUTJJFCPNLTL-PKSQDBQZSA-N 2 2 352.460 0.033 20 0 FCADLP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000420341755 489964361 /nfs/dbraw/zinc/96/43/61/489964361.db2.gz QDWZOUCXDOAAMR-GXTWGEPZSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000420341755 489964364 /nfs/dbraw/zinc/96/43/64/489964364.db2.gz QDWZOUCXDOAAMR-GXTWGEPZSA-N 2 2 354.476 0.722 20 0 FCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351531 489966211 /nfs/dbraw/zinc/96/62/11/489966211.db2.gz XCQXRHNTGUOYSO-CABCVRRESA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351531 489966213 /nfs/dbraw/zinc/96/62/13/489966213.db2.gz XCQXRHNTGUOYSO-CABCVRRESA-N 2 2 367.291 0.955 20 0 FCADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359312 489967330 /nfs/dbraw/zinc/96/73/30/489967330.db2.gz VONLSMRIEPCNJU-SNVBAGLBSA-N 2 2 350.282 0.720 20 0 FCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420353444 489967633 /nfs/dbraw/zinc/96/76/33/489967633.db2.gz AMCAXEUJQYSZTK-OZTPJHRESA-N 2 2 354.476 0.637 20 0 FCADLP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1S(N)(=O)=O ZINC000420369211 489968920 /nfs/dbraw/zinc/96/89/20/489968920.db2.gz OEKCAFUPESUBFT-HWWQOWPSSA-N 2 2 354.476 0.557 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1C ZINC000420378167 489969352 /nfs/dbraw/zinc/96/93/52/489969352.db2.gz WYQYWUNJLGQWPV-OMXAPOSASA-N 2 2 368.503 0.865 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NCCOc3ccccc3)C2)nn1 ZINC000420382503 489969952 /nfs/dbraw/zinc/96/99/52/489969952.db2.gz PWHKLDUNZFZCAC-INIZCTEOSA-N 2 2 358.446 0.569 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NCCOc3ccccc3)C2)nn1 ZINC000420382503 489969955 /nfs/dbraw/zinc/96/99/55/489969955.db2.gz PWHKLDUNZFZCAC-INIZCTEOSA-N 2 2 358.446 0.569 20 0 FCADLP C[C@@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000420376406 489970013 /nfs/dbraw/zinc/97/00/13/489970013.db2.gz OYQCILHJXDPJJT-RHSMWYFYSA-N 2 2 369.487 0.365 20 0 FCADLP C[C@@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000420376406 489970017 /nfs/dbraw/zinc/97/00/17/489970017.db2.gz OYQCILHJXDPJJT-RHSMWYFYSA-N 2 2 369.487 0.365 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396501 489971359 /nfs/dbraw/zinc/97/13/59/489971359.db2.gz FJQYGUPDRVFUOV-WCQYABFASA-N 2 2 354.476 0.498 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1S(N)(=O)=O ZINC000420396501 489971362 /nfs/dbraw/zinc/97/13/62/489971362.db2.gz FJQYGUPDRVFUOV-WCQYABFASA-N 2 2 354.476 0.498 20 0 FCADLP O=C(CN1CCO[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000420398236 489971610 /nfs/dbraw/zinc/97/16/10/489971610.db2.gz ACYVFPRHPTXJLD-JKSUJKDBSA-N 2 2 350.488 0.065 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406061 489972574 /nfs/dbraw/zinc/97/25/74/489972574.db2.gz QKGKCEQGQPEUSN-BZUAXINKSA-N 2 2 352.479 0.938 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406061 489972579 /nfs/dbraw/zinc/97/25/79/489972579.db2.gz QKGKCEQGQPEUSN-BZUAXINKSA-N 2 2 352.479 0.938 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477559599 489973045 /nfs/dbraw/zinc/97/30/45/489973045.db2.gz OCKXRTXSGSEHGT-INIZCTEOSA-N 2 2 371.503 0.062 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420416282 489973342 /nfs/dbraw/zinc/97/33/42/489973342.db2.gz VRLIRGHMNWNNJL-GJZGRUSLSA-N 2 2 362.474 0.820 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420416282 489973345 /nfs/dbraw/zinc/97/33/45/489973345.db2.gz VRLIRGHMNWNNJL-GJZGRUSLSA-N 2 2 362.474 0.820 20 0 FCADLP O=C(CN1CC[C@]2(CC[NH2+]C2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000462400210 489973673 /nfs/dbraw/zinc/97/36/73/489973673.db2.gz DWJJZTRFEBRGNJ-NRFANRHFSA-N 2 2 372.513 0.820 20 0 FCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000462400210 489973677 /nfs/dbraw/zinc/97/36/77/489973677.db2.gz DWJJZTRFEBRGNJ-NRFANRHFSA-N 3 2 372.513 0.820 20 0 FCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000462400210 489973681 /nfs/dbraw/zinc/97/36/81/489973681.db2.gz DWJJZTRFEBRGNJ-NRFANRHFSA-N 3 2 372.513 0.820 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462405259 489973861 /nfs/dbraw/zinc/97/38/61/489973861.db2.gz CKLDQWKKALCZEE-SFHVURJKSA-N 2 2 364.515 0.898 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462405259 489973864 /nfs/dbraw/zinc/97/38/64/489973864.db2.gz CKLDQWKKALCZEE-SFHVURJKSA-N 2 2 364.515 0.898 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)[C@H](C[NH3+])C1 ZINC000564187134 491292636 /nfs/dbraw/zinc/29/26/36/491292636.db2.gz FUACEXZPTBYCMP-GFCCVEGCSA-N 2 2 366.853 0.976 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)[C@H](C[NH3+])C1 ZINC000564187134 491292638 /nfs/dbraw/zinc/29/26/38/491292638.db2.gz FUACEXZPTBYCMP-GFCCVEGCSA-N 2 2 366.853 0.976 20 0 FCADLP COC[C@H](C)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420468682 489981963 /nfs/dbraw/zinc/98/19/63/489981963.db2.gz HAQLTEIYOWEIAO-HNNXBMFYSA-N 2 2 355.504 0.934 20 0 FCADLP CO[C@H](C)CS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420470970 489982860 /nfs/dbraw/zinc/98/28/60/489982860.db2.gz ORUQNYQGVAUYLV-OAHLLOKOSA-N 2 2 355.504 0.934 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477845140 489993865 /nfs/dbraw/zinc/99/38/65/489993865.db2.gz NSECNJVNHNMUSI-QZWWFDLISA-N 2 2 370.538 0.971 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000477845140 489993868 /nfs/dbraw/zinc/99/38/68/489993868.db2.gz NSECNJVNHNMUSI-QZWWFDLISA-N 2 2 370.538 0.971 20 0 FCADLP COCC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC000477950356 489998109 /nfs/dbraw/zinc/99/81/09/489998109.db2.gz YUGMNHUDHSBFRK-UHFFFAOYSA-N 2 2 356.488 0.653 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000477995756 489999452 /nfs/dbraw/zinc/99/94/52/489999452.db2.gz VZQYHSIPDYONFT-MDZRGWNJSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000477995756 489999455 /nfs/dbraw/zinc/99/94/55/489999455.db2.gz VZQYHSIPDYONFT-MDZRGWNJSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000420610059 490002222 /nfs/dbraw/zinc/00/22/22/490002222.db2.gz LMSKTVFWXFQCKN-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000420610059 490002225 /nfs/dbraw/zinc/00/22/25/490002225.db2.gz LMSKTVFWXFQCKN-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000571150283 491288847 /nfs/dbraw/zinc/28/88/47/491288847.db2.gz WVFWXCZOHWPUSD-KRWDZBQOSA-N 2 2 371.489 0.065 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3COc4ccccc4[C@H]3O)C2)CC1 ZINC000378096854 490009001 /nfs/dbraw/zinc/00/90/01/490009001.db2.gz SPVALHSTPPPFHB-POZUXBRTSA-N 2 2 374.485 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3COc4ccccc4[C@H]3O)C2)CC1 ZINC000378096854 490009005 /nfs/dbraw/zinc/00/90/05/490009005.db2.gz SPVALHSTPPPFHB-POZUXBRTSA-N 2 2 374.485 0.949 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463418216 490016833 /nfs/dbraw/zinc/01/68/33/490016833.db2.gz FIJMOJOFZOTTKX-QGZVFWFLSA-N 2 2 359.536 0.702 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463418216 490016835 /nfs/dbraw/zinc/01/68/35/490016835.db2.gz FIJMOJOFZOTTKX-QGZVFWFLSA-N 2 2 359.536 0.702 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000420869674 490027903 /nfs/dbraw/zinc/02/79/03/490027903.db2.gz AZIRAWGSWNXCKP-INIZCTEOSA-N 2 2 355.442 0.732 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000420869674 490027908 /nfs/dbraw/zinc/02/79/08/490027908.db2.gz AZIRAWGSWNXCKP-INIZCTEOSA-N 2 2 355.442 0.732 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000441076990 490051271 /nfs/dbraw/zinc/05/12/71/490051271.db2.gz FYKXXWYVSMGKSM-KBPBESRZSA-N 2 2 356.430 1.147 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000441076990 490051272 /nfs/dbraw/zinc/05/12/72/490051272.db2.gz FYKXXWYVSMGKSM-KBPBESRZSA-N 2 2 356.430 1.147 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421173341 490051693 /nfs/dbraw/zinc/05/16/93/490051693.db2.gz NLJIOZDXFMLJKW-MRXNPFEDSA-N 2 2 357.458 0.934 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421173341 490051698 /nfs/dbraw/zinc/05/16/98/490051698.db2.gz NLJIOZDXFMLJKW-MRXNPFEDSA-N 2 2 357.458 0.934 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228652 490059728 /nfs/dbraw/zinc/05/97/28/490059728.db2.gz RWEKCDZLHJOURQ-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228652 490059732 /nfs/dbraw/zinc/05/97/32/490059732.db2.gz RWEKCDZLHJOURQ-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421224717 490059961 /nfs/dbraw/zinc/05/99/61/490059961.db2.gz LSNBAXOFHGIXPK-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421224717 490059962 /nfs/dbraw/zinc/05/99/62/490059962.db2.gz LSNBAXOFHGIXPK-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000479068932 490065078 /nfs/dbraw/zinc/06/50/78/490065078.db2.gz XUKVMCHWISQMLS-GJZGRUSLSA-N 2 2 354.520 0.847 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000479068932 490065081 /nfs/dbraw/zinc/06/50/81/490065081.db2.gz XUKVMCHWISQMLS-GJZGRUSLSA-N 2 2 354.520 0.847 20 0 FCADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482456 490071177 /nfs/dbraw/zinc/07/11/77/490071177.db2.gz MENMHALUHPJRLV-HOCLYGCPSA-N 2 2 351.447 0.636 20 0 FCADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000378482456 490071180 /nfs/dbraw/zinc/07/11/80/490071180.db2.gz MENMHALUHPJRLV-HOCLYGCPSA-N 2 2 351.447 0.636 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000519797230 490085308 /nfs/dbraw/zinc/08/53/08/490085308.db2.gz SIHJCEYWVMGKOF-MRXNPFEDSA-N 2 2 363.510 0.627 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000519797230 490085314 /nfs/dbraw/zinc/08/53/14/490085314.db2.gz SIHJCEYWVMGKOF-MRXNPFEDSA-N 2 2 363.510 0.627 20 0 FCADLP C[NH+]1CCC(CNC(=O)NCCc2nc(N)no2)([NH+]2CCCCC2)CC1 ZINC000532624045 490085324 /nfs/dbraw/zinc/08/53/24/490085324.db2.gz RISLPFMPXFNNEX-UHFFFAOYSA-N 2 2 365.482 0.444 20 0 FCADLP CC[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC[NH2+]1 ZINC000519824934 490093080 /nfs/dbraw/zinc/09/30/80/490093080.db2.gz JBCUUECOJSGSON-LJQANCHMSA-N 2 2 374.489 0.494 20 0 FCADLP CC[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC[NH2+]1 ZINC000519824934 490093082 /nfs/dbraw/zinc/09/30/82/490093082.db2.gz JBCUUECOJSGSON-LJQANCHMSA-N 2 2 374.489 0.494 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000465265617 490098436 /nfs/dbraw/zinc/09/84/36/490098436.db2.gz LNQXHTWZAAGHRH-QGZVFWFLSA-N 2 2 354.539 0.972 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000519864207 490101823 /nfs/dbraw/zinc/10/18/23/490101823.db2.gz QHHKOCYYRDSJLP-OAHLLOKOSA-N 2 2 372.429 0.568 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000496148211 490105065 /nfs/dbraw/zinc/10/50/65/490105065.db2.gz OFOIDWBNBNMNDE-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000496148211 490105073 /nfs/dbraw/zinc/10/50/73/490105073.db2.gz OFOIDWBNBNMNDE-DLBZAZTESA-N 2 2 351.470 0.973 20 0 FCADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000556168717 491299546 /nfs/dbraw/zinc/29/95/46/491299546.db2.gz XNWISTAZVZSXDR-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000556168717 491299548 /nfs/dbraw/zinc/29/95/48/491299548.db2.gz XNWISTAZVZSXDR-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000479764042 490122775 /nfs/dbraw/zinc/12/27/75/490122775.db2.gz RKMOFDZTSFYEHI-NXHRZFHOSA-N 2 2 362.518 0.635 20 0 FCADLP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000479764042 490122781 /nfs/dbraw/zinc/12/27/81/490122781.db2.gz RKMOFDZTSFYEHI-NXHRZFHOSA-N 2 2 362.518 0.635 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)C1CC(O)C1 ZINC000545386929 490127444 /nfs/dbraw/zinc/12/74/44/490127444.db2.gz SEWYXFWXTCEXTO-VNCLNFNDSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)C1CC(O)C1 ZINC000545386929 490127448 /nfs/dbraw/zinc/12/74/48/490127448.db2.gz SEWYXFWXTCEXTO-VNCLNFNDSA-N 2 2 361.486 0.979 20 0 FCADLP CN(C)c1ccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c[nH+]1 ZINC000465544935 490127700 /nfs/dbraw/zinc/12/77/00/490127700.db2.gz RBHUFSWKZJOIEE-QGZVFWFLSA-N 2 2 351.451 0.030 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390756400 490138115 /nfs/dbraw/zinc/13/81/15/490138115.db2.gz WHPHCTSUQZMHCG-JKSUJKDBSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390756400 490138122 /nfs/dbraw/zinc/13/81/22/490138122.db2.gz WHPHCTSUQZMHCG-JKSUJKDBSA-N 2 2 353.488 0.529 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000520384389 490140532 /nfs/dbraw/zinc/14/05/32/490140532.db2.gz PTLDKWYWEVJIRE-HNNXBMFYSA-N 2 2 355.527 0.421 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000520384389 490140539 /nfs/dbraw/zinc/14/05/39/490140539.db2.gz PTLDKWYWEVJIRE-HNNXBMFYSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000479976428 490142723 /nfs/dbraw/zinc/14/27/23/490142723.db2.gz FCVLFXXCEWFSFB-HZPDHXFCSA-N 2 2 370.538 0.648 20 0 FCADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc(Cl)c1OCC(N)=O ZINC000392668589 490152892 /nfs/dbraw/zinc/15/28/92/490152892.db2.gz XDHKGEWUAKCGNM-MRXNPFEDSA-N 2 2 359.854 0.615 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000398144852 490167472 /nfs/dbraw/zinc/16/74/72/490167472.db2.gz NKDZCFARCUKOSO-FVQBIDKESA-N 2 2 353.488 0.528 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000398144852 490167478 /nfs/dbraw/zinc/16/74/78/490167478.db2.gz NKDZCFARCUKOSO-FVQBIDKESA-N 2 2 353.488 0.528 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000422119009 490171059 /nfs/dbraw/zinc/17/10/59/490171059.db2.gz RRDGCYKPJMITGS-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000422119009 490171067 /nfs/dbraw/zinc/17/10/67/490171067.db2.gz RRDGCYKPJMITGS-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000422119009 490171076 /nfs/dbraw/zinc/17/10/76/490171076.db2.gz RRDGCYKPJMITGS-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000422119009 490171085 /nfs/dbraw/zinc/17/10/85/490171085.db2.gz RRDGCYKPJMITGS-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000497570122 490176809 /nfs/dbraw/zinc/17/68/09/490176809.db2.gz ABSMNEIQAJABBM-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP CN(C(=O)COCC1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684938 490179098 /nfs/dbraw/zinc/17/90/98/490179098.db2.gz AJRVXXJSFCAQSO-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CC(=O)[C@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(C)C ZINC000507369698 490205517 /nfs/dbraw/zinc/20/55/17/490205517.db2.gz UCENOGHXPILPNK-QGZVFWFLSA-N 2 2 354.495 0.106 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000533279188 490206071 /nfs/dbraw/zinc/20/60/71/490206071.db2.gz NQDCOGPOXHXAKL-UHFFFAOYSA-N 2 2 359.478 0.990 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000533279188 490206074 /nfs/dbraw/zinc/20/60/74/490206074.db2.gz NQDCOGPOXHXAKL-UHFFFAOYSA-N 2 2 359.478 0.990 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000466934805 490228286 /nfs/dbraw/zinc/22/82/86/490228286.db2.gz ZDFZVBUGTRMNNT-SJLPKXTDSA-N 2 2 373.501 0.895 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000466934805 490228290 /nfs/dbraw/zinc/22/82/90/490228290.db2.gz ZDFZVBUGTRMNNT-SJLPKXTDSA-N 2 2 373.501 0.895 20 0 FCADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]([NH3+])CC(N)=O)CC2)cs1 ZINC000498058885 490251112 /nfs/dbraw/zinc/25/11/12/490251112.db2.gz YFDMNYZNDPAATP-CYBMUJFWSA-N 2 2 353.492 0.236 20 0 FCADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000498137864 490262994 /nfs/dbraw/zinc/26/29/94/490262994.db2.gz YLSIXLQPNMSMHP-CABCVRRESA-N 2 2 354.401 0.763 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000498199779 490269015 /nfs/dbraw/zinc/26/90/15/490269015.db2.gz DJUGSUNGHAPUPK-ZFWWWQNUSA-N 2 2 357.401 0.553 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC[NH2+]CC1 ZINC000521609942 490280304 /nfs/dbraw/zinc/28/03/04/490280304.db2.gz PYEOATSOMILYSV-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447912534 490290201 /nfs/dbraw/zinc/29/02/01/490290201.db2.gz GWLAHYNJMCXHDG-RBUKOAKNSA-N 2 2 361.486 0.769 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000483284076 490301443 /nfs/dbraw/zinc/30/14/43/490301443.db2.gz SUSPSXSBNONIOE-HXUWFJFHSA-N 2 2 374.485 0.332 20 0 FCADLP C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000483284076 490301445 /nfs/dbraw/zinc/30/14/45/490301445.db2.gz SUSPSXSBNONIOE-HXUWFJFHSA-N 2 2 374.485 0.332 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000534126527 490323658 /nfs/dbraw/zinc/32/36/58/490323658.db2.gz UBEFJQCGNOLSSL-PKOBYXMFSA-N 2 2 373.497 0.968 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000534126527 490323663 /nfs/dbraw/zinc/32/36/63/490323663.db2.gz UBEFJQCGNOLSSL-PKOBYXMFSA-N 2 2 373.497 0.968 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000521998595 490323847 /nfs/dbraw/zinc/32/38/47/490323847.db2.gz NDJIMBRHJKAMSW-INIZCTEOSA-N 2 2 359.474 0.708 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2ccccn2c1=O ZINC000522170164 490349183 /nfs/dbraw/zinc/34/91/83/490349183.db2.gz RGJWFANOLUNKII-UHFFFAOYSA-N 2 2 357.458 0.793 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2ccccn2c1=O ZINC000522170164 490349191 /nfs/dbraw/zinc/34/91/91/490349191.db2.gz RGJWFANOLUNKII-UHFFFAOYSA-N 2 2 357.458 0.793 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000498858283 490355411 /nfs/dbraw/zinc/35/54/11/490355411.db2.gz KONTUSHOZDWFOE-INIZCTEOSA-N 2 2 374.489 0.383 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000498858283 490355414 /nfs/dbraw/zinc/35/54/14/490355414.db2.gz KONTUSHOZDWFOE-INIZCTEOSA-N 2 2 374.489 0.383 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000422492158 490357058 /nfs/dbraw/zinc/35/70/58/490357058.db2.gz OSLKMYMKFTTZCW-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000422492158 490357061 /nfs/dbraw/zinc/35/70/61/490357061.db2.gz OSLKMYMKFTTZCW-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000410470846 490363462 /nfs/dbraw/zinc/36/34/62/490363462.db2.gz FGXJHCLHQQCARH-IEBWSBKVSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000410470846 490363472 /nfs/dbraw/zinc/36/34/72/490363472.db2.gz FGXJHCLHQQCARH-IEBWSBKVSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410470846 490363475 /nfs/dbraw/zinc/36/34/75/490363475.db2.gz FGXJHCLHQQCARH-IEBWSBKVSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410470846 490363485 /nfs/dbraw/zinc/36/34/85/490363485.db2.gz FGXJHCLHQQCARH-IEBWSBKVSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470841 490363555 /nfs/dbraw/zinc/36/35/55/490363555.db2.gz FGXJHCLHQQCARH-HKUYNNGSSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470841 490363565 /nfs/dbraw/zinc/36/35/65/490363565.db2.gz FGXJHCLHQQCARH-HKUYNNGSSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470841 490363572 /nfs/dbraw/zinc/36/35/72/490363572.db2.gz FGXJHCLHQQCARH-HKUYNNGSSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410470841 490363576 /nfs/dbraw/zinc/36/35/76/490363576.db2.gz FGXJHCLHQQCARH-HKUYNNGSSA-N 2 2 372.513 0.924 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000498941585 490368012 /nfs/dbraw/zinc/36/80/12/490368012.db2.gz SQSBXLJGURFWKR-INIZCTEOSA-N 2 2 357.458 0.545 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000498941585 490368022 /nfs/dbraw/zinc/36/80/22/490368022.db2.gz SQSBXLJGURFWKR-INIZCTEOSA-N 2 2 357.458 0.545 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000498946127 490369317 /nfs/dbraw/zinc/36/93/17/490369317.db2.gz BLTCFYKZOFDECW-KRWDZBQOSA-N 2 2 373.501 0.969 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000498946127 490369325 /nfs/dbraw/zinc/36/93/25/490369325.db2.gz BLTCFYKZOFDECW-KRWDZBQOSA-N 2 2 373.501 0.969 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410876581 490373033 /nfs/dbraw/zinc/37/30/33/490373033.db2.gz KSMJQBIWZMBAGR-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000410876581 490373035 /nfs/dbraw/zinc/37/30/35/490373035.db2.gz KSMJQBIWZMBAGR-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)ccc1=O ZINC000534518490 490374247 /nfs/dbraw/zinc/37/42/47/490374247.db2.gz XEKQAFPTJJVBIR-UHFFFAOYSA-N 2 2 353.386 0.638 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@H]1c1[nH]cc[nH+]1 ZINC000410993109 490378708 /nfs/dbraw/zinc/37/87/08/490378708.db2.gz YCKJGECHTXIRMV-JYJNAYRXSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C[C@H]1c1[nH]cc[nH+]1 ZINC000410993109 490378713 /nfs/dbraw/zinc/37/87/13/490378713.db2.gz YCKJGECHTXIRMV-JYJNAYRXSA-N 2 2 374.489 0.168 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000564713514 491321905 /nfs/dbraw/zinc/32/19/05/491321905.db2.gz QCDJXGCPKULXRZ-UHFFFAOYSA-N 2 2 360.458 0.452 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000411136194 490393170 /nfs/dbraw/zinc/39/31/70/490393170.db2.gz IXBZNNCXZJEQLH-KBPBESRZSA-N 2 2 359.430 0.888 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220983 490399040 /nfs/dbraw/zinc/39/90/40/490399040.db2.gz OGSSUKWOLCLPDB-TWMKSMIVSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000484220983 490399047 /nfs/dbraw/zinc/39/90/47/490399047.db2.gz OGSSUKWOLCLPDB-TWMKSMIVSA-N 2 2 368.522 0.543 20 0 FCADLP COc1nccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000449104183 490399771 /nfs/dbraw/zinc/39/97/71/490399771.db2.gz DVXVKPKLEBAZSN-UHFFFAOYSA-N 2 2 356.430 0.709 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000484232107 490400561 /nfs/dbraw/zinc/40/05/61/490400561.db2.gz JRZKKIYHUZYZIU-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP COC(=O)COC[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000449104405 490401131 /nfs/dbraw/zinc/40/11/31/490401131.db2.gz FLPPZFWDEMEOOD-OAHLLOKOSA-N 2 2 364.446 0.288 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000499246605 490401769 /nfs/dbraw/zinc/40/17/69/490401769.db2.gz WTGHBWUMLCXQRQ-LJQANCHMSA-N 2 2 370.497 0.946 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000499246605 490401775 /nfs/dbraw/zinc/40/17/75/490401775.db2.gz WTGHBWUMLCXQRQ-LJQANCHMSA-N 2 2 370.497 0.946 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCC[NH+]1CCOCC1 ZINC000449822054 490430980 /nfs/dbraw/zinc/43/09/80/490430980.db2.gz UDVHKUWGVLDFLF-KRWDZBQOSA-N 2 2 366.506 0.348 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCC[NH+]1CCOCC1 ZINC000449822054 490430983 /nfs/dbraw/zinc/43/09/83/490430983.db2.gz UDVHKUWGVLDFLF-KRWDZBQOSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]1 ZINC000571744548 491326137 /nfs/dbraw/zinc/32/61/37/491326137.db2.gz VOGSXPQHKZBECS-ZBFHGGJFSA-N 2 2 351.495 0.370 20 0 FCADLP Cc1cc(C)c(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)c(C)[nH+]1 ZINC000411402635 490449983 /nfs/dbraw/zinc/44/99/83/490449983.db2.gz QXFRPRBRUPHFCH-UHFFFAOYSA-N 2 2 366.462 0.344 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000509718479 490456800 /nfs/dbraw/zinc/45/68/00/490456800.db2.gz YGTDTOLTDQDHAL-JKSUJKDBSA-N 2 2 365.478 0.377 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000509718479 490456805 /nfs/dbraw/zinc/45/68/05/490456805.db2.gz YGTDTOLTDQDHAL-JKSUJKDBSA-N 2 2 365.478 0.377 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000484910439 490476842 /nfs/dbraw/zinc/47/68/42/490476842.db2.gz UYSZLAPCNTWOSC-AGIUHOORSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000484910439 490476852 /nfs/dbraw/zinc/47/68/52/490476852.db2.gz UYSZLAPCNTWOSC-AGIUHOORSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944256 490480816 /nfs/dbraw/zinc/48/08/16/490480816.db2.gz HCIZRWAKDYWSQH-IRXDYDNUSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000484944256 490480821 /nfs/dbraw/zinc/48/08/21/490480821.db2.gz HCIZRWAKDYWSQH-IRXDYDNUSA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@](C[NH3+])(NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000422822761 490481107 /nfs/dbraw/zinc/48/11/07/490481107.db2.gz BQMFBNGPURRJAO-IBGZPJMESA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000422818998 490481968 /nfs/dbraw/zinc/48/19/68/490481968.db2.gz LXZBCFSYTPZYLA-KBPBESRZSA-N 2 2 353.488 0.844 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422864710 490488174 /nfs/dbraw/zinc/48/81/74/490488174.db2.gz NTVDMQQVLCAHRS-HIFRSBDPSA-N 2 2 353.488 0.879 20 0 FCADLP C[C@H](O)CNc1cc(NCC(=O)NCC[NH+]2CCCCCC2)nc[nH+]1 ZINC000413305924 490501202 /nfs/dbraw/zinc/50/12/02/490501202.db2.gz TWNBQEROZOUZFG-AWEZNQCLSA-N 2 2 350.467 0.673 20 0 FCADLP C[C@H](O)CNc1cc(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]cn1 ZINC000413305924 490501207 /nfs/dbraw/zinc/50/12/07/490501207.db2.gz TWNBQEROZOUZFG-AWEZNQCLSA-N 2 2 350.467 0.673 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535636519 490509288 /nfs/dbraw/zinc/50/92/88/490509288.db2.gz ZZQTVPJZCPZWOK-HZPDHXFCSA-N 2 2 353.511 0.711 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535636519 490509291 /nfs/dbraw/zinc/50/92/91/490509291.db2.gz ZZQTVPJZCPZWOK-HZPDHXFCSA-N 2 2 353.511 0.711 20 0 FCADLP CC[C@@H](C)[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1CCN1CCOCC1 ZINC000510363754 490511018 /nfs/dbraw/zinc/51/10/18/490511018.db2.gz TVZYNTADTAUKBV-UXHICEINSA-N 2 2 368.566 0.683 20 0 FCADLP CC[C@@H](C)[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1CCN1CCOCC1 ZINC000510363754 490511021 /nfs/dbraw/zinc/51/10/21/490511021.db2.gz TVZYNTADTAUKBV-UXHICEINSA-N 2 2 368.566 0.683 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413908692 490513063 /nfs/dbraw/zinc/51/30/63/490513063.db2.gz UZWMMUKXRSGDKH-ARFHVFGLSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000413908692 490513067 /nfs/dbraw/zinc/51/30/67/490513067.db2.gz UZWMMUKXRSGDKH-ARFHVFGLSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908692 490513071 /nfs/dbraw/zinc/51/30/71/490513071.db2.gz UZWMMUKXRSGDKH-ARFHVFGLSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908692 490513075 /nfs/dbraw/zinc/51/30/75/490513075.db2.gz UZWMMUKXRSGDKH-ARFHVFGLSA-N 2 2 355.479 0.439 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423011258 490518036 /nfs/dbraw/zinc/51/80/36/490518036.db2.gz IKQGLJYVVKXWJZ-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535726950 490518486 /nfs/dbraw/zinc/51/84/86/490518486.db2.gz OETCRKKKLXHWNL-WMZOPIPTSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535726950 490518491 /nfs/dbraw/zinc/51/84/91/490518491.db2.gz OETCRKKKLXHWNL-WMZOPIPTSA-N 2 2 362.522 0.336 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423016002 490518816 /nfs/dbraw/zinc/51/88/16/490518816.db2.gz SCFYFGVXQJIQOE-GOSISDBHSA-N 2 2 374.485 0.215 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423012707 490519358 /nfs/dbraw/zinc/51/93/58/490519358.db2.gz DPANFMAKHJVIAL-GJZGRUSLSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423051574 490530484 /nfs/dbraw/zinc/53/04/84/490530484.db2.gz OPMAANLVJFQWTI-NEWSRXKRSA-N 2 2 361.486 0.813 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000423059905 490533134 /nfs/dbraw/zinc/53/31/34/490533134.db2.gz NCNOHZDDDBPDBS-ZWKOTPCHSA-N 2 2 374.485 0.120 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849845 490538063 /nfs/dbraw/zinc/53/80/63/490538063.db2.gz UZIUIVPDUDKGDO-CVEARBPZSA-N 2 2 374.551 0.331 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849845 490538067 /nfs/dbraw/zinc/53/80/67/490538067.db2.gz UZIUIVPDUDKGDO-CVEARBPZSA-N 2 2 374.551 0.331 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849847 490538419 /nfs/dbraw/zinc/53/84/19/490538419.db2.gz UZIUIVPDUDKGDO-HZPDHXFCSA-N 2 2 374.551 0.331 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849847 490538422 /nfs/dbraw/zinc/53/84/22/490538422.db2.gz UZIUIVPDUDKGDO-HZPDHXFCSA-N 2 2 374.551 0.331 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC000500762425 490549366 /nfs/dbraw/zinc/54/93/66/490549366.db2.gz GEXPSPRUGDBFJM-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC000500762425 490549369 /nfs/dbraw/zinc/54/93/69/490549369.db2.gz GEXPSPRUGDBFJM-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC000500762425 490549372 /nfs/dbraw/zinc/54/93/72/490549372.db2.gz GEXPSPRUGDBFJM-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC000500762425 490549376 /nfs/dbraw/zinc/54/93/76/490549376.db2.gz GEXPSPRUGDBFJM-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000524667560 490550087 /nfs/dbraw/zinc/55/00/87/490550087.db2.gz JQASAXPRKUDUIM-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000524667560 490550088 /nfs/dbraw/zinc/55/00/88/490550088.db2.gz JQASAXPRKUDUIM-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000524667560 490550091 /nfs/dbraw/zinc/55/00/91/490550091.db2.gz JQASAXPRKUDUIM-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000524667560 490550092 /nfs/dbraw/zinc/55/00/92/490550092.db2.gz JQASAXPRKUDUIM-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000524667560 490550094 /nfs/dbraw/zinc/55/00/94/490550094.db2.gz JQASAXPRKUDUIM-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000524667560 490550096 /nfs/dbraw/zinc/55/00/96/490550096.db2.gz JQASAXPRKUDUIM-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069182 490550183 /nfs/dbraw/zinc/55/01/83/490550183.db2.gz XHTCUQXZZUPIEY-OAHLLOKOSA-N 2 2 371.441 0.390 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000536069182 490550185 /nfs/dbraw/zinc/55/01/85/490550185.db2.gz XHTCUQXZZUPIEY-OAHLLOKOSA-N 2 2 371.441 0.390 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCSC1 ZINC000536070715 490551240 /nfs/dbraw/zinc/55/12/40/490551240.db2.gz QDRYHRWQZLZFTF-OAHLLOKOSA-N 2 2 354.520 0.190 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCSC1 ZINC000536070715 490551242 /nfs/dbraw/zinc/55/12/42/490551242.db2.gz QDRYHRWQZLZFTF-OAHLLOKOSA-N 2 2 354.520 0.190 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1)N1CCCC1 ZINC000485771330 490557126 /nfs/dbraw/zinc/55/71/26/490557126.db2.gz AERIFJPQJUKHRT-OAHLLOKOSA-N 2 2 374.489 0.257 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1)N1CCCC1 ZINC000485771330 490557131 /nfs/dbraw/zinc/55/71/31/490557131.db2.gz AERIFJPQJUKHRT-OAHLLOKOSA-N 2 2 374.489 0.257 20 0 FCADLP C[C@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCN(C)CC1 ZINC000524788968 490560372 /nfs/dbraw/zinc/56/03/72/490560372.db2.gz PITPKORLHOJINR-MRXNPFEDSA-N 2 2 363.510 0.120 20 0 FCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556776065 491335988 /nfs/dbraw/zinc/33/59/88/491335988.db2.gz ZXNJUNABBCUJSM-QGZVFWFLSA-N 2 2 355.442 0.959 20 0 FCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556776065 491335992 /nfs/dbraw/zinc/33/59/92/491335992.db2.gz ZXNJUNABBCUJSM-QGZVFWFLSA-N 2 2 355.442 0.959 20 0 FCADLP CC[N@@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@H](C)C1 ZINC000511309648 490579566 /nfs/dbraw/zinc/57/95/66/490579566.db2.gz TVHMWIKRXUSJCE-CYBMUJFWSA-N 2 2 357.524 0.776 20 0 FCADLP CC[N@H+]1CCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)[C@H](C)C1 ZINC000511309648 490579568 /nfs/dbraw/zinc/57/95/68/490579568.db2.gz TVHMWIKRXUSJCE-CYBMUJFWSA-N 2 2 357.524 0.776 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000486020513 490583567 /nfs/dbraw/zinc/58/35/67/490583567.db2.gz RXFJVGMZSLEQSP-AWEZNQCLSA-N 2 2 365.503 0.376 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000486020513 490583575 /nfs/dbraw/zinc/58/35/75/490583575.db2.gz RXFJVGMZSLEQSP-AWEZNQCLSA-N 2 2 365.503 0.376 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000486020596 490583845 /nfs/dbraw/zinc/58/38/45/490583845.db2.gz RXFJVGMZSLEQSP-CQSZACIVSA-N 2 2 365.503 0.376 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000486020596 490583850 /nfs/dbraw/zinc/58/38/50/490583850.db2.gz RXFJVGMZSLEQSP-CQSZACIVSA-N 2 2 365.503 0.376 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051610 490587541 /nfs/dbraw/zinc/58/75/41/490587541.db2.gz HSIMXKWTBNOMGF-CVEARBPZSA-N 2 2 359.474 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051610 490587548 /nfs/dbraw/zinc/58/75/48/490587548.db2.gz HSIMXKWTBNOMGF-CVEARBPZSA-N 2 2 359.474 0.434 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000525280519 490591437 /nfs/dbraw/zinc/59/14/37/490591437.db2.gz YYTBBWWBAXCVHX-AWEZNQCLSA-N 2 2 359.430 0.657 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000525280519 490591440 /nfs/dbraw/zinc/59/14/40/490591440.db2.gz YYTBBWWBAXCVHX-AWEZNQCLSA-N 2 2 359.430 0.657 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000536602417 490596211 /nfs/dbraw/zinc/59/62/11/490596211.db2.gz ODESBLYYHVYADR-UHFFFAOYSA-N 2 2 362.455 0.916 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000486222560 490599129 /nfs/dbraw/zinc/59/91/29/490599129.db2.gz IKJHWQRQFVKXGQ-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000511554182 490602626 /nfs/dbraw/zinc/60/26/26/490602626.db2.gz LZYKYSXHKDDXRP-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccco1 ZINC000550051828 490620969 /nfs/dbraw/zinc/62/09/69/490620969.db2.gz JDZRONXPOCMNBS-UHFFFAOYSA-N 2 2 350.463 0.423 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1ccco1 ZINC000550051828 490620973 /nfs/dbraw/zinc/62/09/73/490620973.db2.gz JDZRONXPOCMNBS-UHFFFAOYSA-N 2 2 350.463 0.423 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc2C1 ZINC000486433334 490624097 /nfs/dbraw/zinc/62/40/97/490624097.db2.gz GWPPRCHMZWOCOV-GOSISDBHSA-N 2 2 356.470 0.468 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCc2ccccc2C1 ZINC000486433334 490624102 /nfs/dbraw/zinc/62/41/02/490624102.db2.gz GWPPRCHMZWOCOV-GOSISDBHSA-N 2 2 356.470 0.468 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000550103903 490624929 /nfs/dbraw/zinc/62/49/29/490624929.db2.gz HUNIBUXNACKWBO-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000550103903 490624935 /nfs/dbraw/zinc/62/49/35/490624935.db2.gz HUNIBUXNACKWBO-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486436250 490625286 /nfs/dbraw/zinc/62/52/86/490625286.db2.gz MKHRIUYMWBFAQU-OCCSQVGLSA-N 2 2 365.865 0.958 20 0 FCADLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486436250 490625291 /nfs/dbraw/zinc/62/52/91/490625291.db2.gz MKHRIUYMWBFAQU-OCCSQVGLSA-N 2 2 365.865 0.958 20 0 FCADLP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000486438007 490625316 /nfs/dbraw/zinc/62/53/16/490625316.db2.gz OVGMGFBTGNYACI-MRXNPFEDSA-N 2 2 362.449 0.647 20 0 FCADLP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000486438007 490625326 /nfs/dbraw/zinc/62/53/26/490625326.db2.gz OVGMGFBTGNYACI-MRXNPFEDSA-N 2 2 362.449 0.647 20 0 FCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486443412 490626617 /nfs/dbraw/zinc/62/66/17/490626617.db2.gz HAZIIIJBTCKQBK-IEBWSBKVSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486443412 490626623 /nfs/dbraw/zinc/62/66/23/490626623.db2.gz HAZIIIJBTCKQBK-IEBWSBKVSA-N 2 2 372.513 0.938 20 0 FCADLP O=C1[C@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448211 490629325 /nfs/dbraw/zinc/62/93/25/490629325.db2.gz QNHXDBBLULEEAE-WMLDXEAASA-N 2 2 360.433 0.827 20 0 FCADLP O=C1[C@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCN1c1ccccc1F ZINC000486448211 490629329 /nfs/dbraw/zinc/62/93/29/490629329.db2.gz QNHXDBBLULEEAE-WMLDXEAASA-N 2 2 360.433 0.827 20 0 FCADLP COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453115 490629402 /nfs/dbraw/zinc/62/94/02/490629402.db2.gz SJARVHIJRVFJKZ-HUUCEWRRSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453115 490629408 /nfs/dbraw/zinc/62/94/08/490629408.db2.gz SJARVHIJRVFJKZ-HUUCEWRRSA-N 2 2 360.458 0.918 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1cccc(Cl)c1 ZINC000486458253 490630113 /nfs/dbraw/zinc/63/01/13/490630113.db2.gz IHIVSBZMXAWVLH-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1cccc(Cl)c1 ZINC000486458253 490630116 /nfs/dbraw/zinc/63/01/16/490630116.db2.gz IHIVSBZMXAWVLH-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486462887 490634496 /nfs/dbraw/zinc/63/44/96/490634496.db2.gz QZSUBJROTLDYFM-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486462887 490634498 /nfs/dbraw/zinc/63/44/98/490634498.db2.gz QZSUBJROTLDYFM-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486463003 490635663 /nfs/dbraw/zinc/63/56/63/490635663.db2.gz RFKXRLUKFWWXRK-NVXWUHKLSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486463003 490635666 /nfs/dbraw/zinc/63/56/66/490635666.db2.gz RFKXRLUKFWWXRK-NVXWUHKLSA-N 2 2 356.470 0.860 20 0 FCADLP O=S(=O)(CC[NH2+]C1CCC(O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000556864171 491341751 /nfs/dbraw/zinc/34/17/51/491341751.db2.gz BUSXUYFLSIWNET-UHFFFAOYSA-N 2 2 368.503 0.427 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[C@@H]1C ZINC000486472357 490636565 /nfs/dbraw/zinc/63/65/65/490636565.db2.gz SWCSPRZWMDQZPY-VQHPVUNQSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[C@@H]1C ZINC000486472357 490636568 /nfs/dbraw/zinc/63/65/68/490636568.db2.gz SWCSPRZWMDQZPY-VQHPVUNQSA-N 2 2 350.507 0.824 20 0 FCADLP Cc1ccc2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc(=O)n2c1 ZINC000486469226 490636984 /nfs/dbraw/zinc/63/69/84/490636984.db2.gz NSGHQJKZQOQMAE-INIZCTEOSA-N 2 2 355.442 0.399 20 0 FCADLP Cc1ccc2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc(=O)n2c1 ZINC000486469226 490636990 /nfs/dbraw/zinc/63/69/90/490636990.db2.gz NSGHQJKZQOQMAE-INIZCTEOSA-N 2 2 355.442 0.399 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021033 490638345 /nfs/dbraw/zinc/63/83/45/490638345.db2.gz ZGFFZBRHHJBCNT-HOTGVXAUSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021033 490638352 /nfs/dbraw/zinc/63/83/52/490638352.db2.gz ZGFFZBRHHJBCNT-HOTGVXAUSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000537021033 490638360 /nfs/dbraw/zinc/63/83/60/490638360.db2.gz ZGFFZBRHHJBCNT-HOTGVXAUSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537021033 490638366 /nfs/dbraw/zinc/63/83/66/490638366.db2.gz ZGFFZBRHHJBCNT-HOTGVXAUSA-N 2 2 367.538 0.057 20 0 FCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000537059020 490643013 /nfs/dbraw/zinc/64/30/13/490643013.db2.gz JQVVBKOMHKMVBZ-CYBMUJFWSA-N 2 2 368.503 0.996 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000537099114 490647895 /nfs/dbraw/zinc/64/78/95/490647895.db2.gz KBJVEOOSBVDSSR-CQSZACIVSA-N 2 2 368.503 0.362 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277385 490651027 /nfs/dbraw/zinc/65/10/27/490651027.db2.gz NLUHVRTUVUALDT-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000550277385 490651032 /nfs/dbraw/zinc/65/10/32/490651032.db2.gz NLUHVRTUVUALDT-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277475 490651317 /nfs/dbraw/zinc/65/13/17/490651317.db2.gz NTYHLONCPAETDY-JKSUJKDBSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277475 490651319 /nfs/dbraw/zinc/65/13/19/490651319.db2.gz NTYHLONCPAETDY-JKSUJKDBSA-N 2 2 356.511 0.306 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000550303174 490658256 /nfs/dbraw/zinc/65/82/56/490658256.db2.gz QGYFTIPUGOBOFW-UHFFFAOYSA-N 2 2 352.398 0.892 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000526003982 490664159 /nfs/dbraw/zinc/66/41/59/490664159.db2.gz XBNNOHXOAGEORK-UHFFFAOYSA-N 2 2 355.442 0.796 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000550364566 490666419 /nfs/dbraw/zinc/66/64/19/490666419.db2.gz FZAUUNZUAQPWEA-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000550364566 490666421 /nfs/dbraw/zinc/66/64/21/490666421.db2.gz FZAUUNZUAQPWEA-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000556952702 491344921 /nfs/dbraw/zinc/34/49/21/491344921.db2.gz LEDRHJSTZBXVDV-SJORKVTESA-N 2 2 360.458 0.843 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000512431657 490681638 /nfs/dbraw/zinc/68/16/38/490681638.db2.gz IOPHVUNTASLNQT-JKSUJKDBSA-N 2 2 353.511 0.665 20 0 FCADLP COCC[NH+](CCOC)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000512842287 490700801 /nfs/dbraw/zinc/70/08/01/490700801.db2.gz ZYRZAZSPKPNSQG-UHFFFAOYSA-N 3 2 370.538 0.210 20 0 FCADLP CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000487265539 490702487 /nfs/dbraw/zinc/70/24/87/490702487.db2.gz HNLKDBBJXQUHTJ-DZFIZOCASA-N 2 2 362.518 0.729 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000565049208 491348042 /nfs/dbraw/zinc/34/80/42/491348042.db2.gz ZDXLYSASSOZAMG-OALUTQOASA-N 2 2 362.518 0.403 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]3CCC(C)CC3)ccc2[nH+]1 ZINC000538061943 490707473 /nfs/dbraw/zinc/70/74/73/490707473.db2.gz CVFDSZJPLILTKR-MRXNPFEDSA-N 2 2 373.457 0.790 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486990 490715614 /nfs/dbraw/zinc/71/56/14/490715614.db2.gz HEZQGADZQKXPCV-OWCLPIDISA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486990 490715618 /nfs/dbraw/zinc/71/56/18/490715618.db2.gz HEZQGADZQKXPCV-OWCLPIDISA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486990 490715622 /nfs/dbraw/zinc/71/56/22/490715622.db2.gz HEZQGADZQKXPCV-OWCLPIDISA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486990 490715625 /nfs/dbraw/zinc/71/56/25/490715625.db2.gz HEZQGADZQKXPCV-OWCLPIDISA-N 2 2 369.506 0.685 20 0 FCADLP O=C(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCC[NH+]1CCOCC1 ZINC000487658572 490723018 /nfs/dbraw/zinc/72/30/18/490723018.db2.gz AINYQSFYMQQPKH-INIZCTEOSA-N 2 2 366.506 0.206 20 0 FCADLP O=C(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCC[NH+]1CCOCC1 ZINC000487658572 490723021 /nfs/dbraw/zinc/72/30/21/490723021.db2.gz AINYQSFYMQQPKH-INIZCTEOSA-N 2 2 366.506 0.206 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000502851745 490725097 /nfs/dbraw/zinc/72/50/97/490725097.db2.gz SFETZBCTMYEYEW-XHSDSOJGSA-N 2 2 359.474 0.623 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000513497716 490735643 /nfs/dbraw/zinc/73/56/43/490735643.db2.gz AUVXPIVTCGUHFZ-LSDHHAIUSA-N 2 2 361.490 0.869 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)O1 ZINC000527548035 490735950 /nfs/dbraw/zinc/73/59/50/490735950.db2.gz CIUPYAATJXJKLT-CBBWQLFWSA-N 2 2 353.442 0.168 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)O1 ZINC000527548035 490735954 /nfs/dbraw/zinc/73/59/54/490735954.db2.gz CIUPYAATJXJKLT-CBBWQLFWSA-N 2 2 353.442 0.168 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005278 490740915 /nfs/dbraw/zinc/74/09/15/490740915.db2.gz CMKNXMZIUDWCCZ-ROUUACIJSA-N 2 2 368.547 0.932 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005278 490740918 /nfs/dbraw/zinc/74/09/18/490740918.db2.gz CMKNXMZIUDWCCZ-ROUUACIJSA-N 2 2 368.547 0.932 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000557121262 491354651 /nfs/dbraw/zinc/35/46/51/491354651.db2.gz VUKCLWNISKNMPN-DLBZAZTESA-N 2 2 373.505 0.286 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671715 490780575 /nfs/dbraw/zinc/78/05/75/490780575.db2.gz APCODHDWRQWSEI-DOTOQJQBSA-N 2 2 351.491 0.844 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671715 490780580 /nfs/dbraw/zinc/78/05/80/490780580.db2.gz APCODHDWRQWSEI-DOTOQJQBSA-N 2 2 351.491 0.844 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876293 490794877 /nfs/dbraw/zinc/79/48/77/490794877.db2.gz FHNHIIRYAURIHL-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876293 490794880 /nfs/dbraw/zinc/79/48/80/490794880.db2.gz FHNHIIRYAURIHL-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876293 490794881 /nfs/dbraw/zinc/79/48/81/490794881.db2.gz FHNHIIRYAURIHL-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514876293 490794884 /nfs/dbraw/zinc/79/48/84/490794884.db2.gz FHNHIIRYAURIHL-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000565152600 491356571 /nfs/dbraw/zinc/35/65/71/491356571.db2.gz GVAGBKVVKHCSJB-GOSISDBHSA-N 2 2 351.491 0.811 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000572226966 491356684 /nfs/dbraw/zinc/35/66/84/491356684.db2.gz VIBQTDRZSDOBLZ-BFYDXBDKSA-N 2 2 354.520 0.588 20 0 FCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000565157891 491356925 /nfs/dbraw/zinc/35/69/25/491356925.db2.gz QHPVSADEFWWEIE-UHFFFAOYSA-N 2 2 372.429 0.109 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515187279 490812535 /nfs/dbraw/zinc/81/25/35/490812535.db2.gz VXVCBSCAVMISSI-IRXDYDNUSA-N 2 2 373.501 0.121 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515413106 490824864 /nfs/dbraw/zinc/82/48/64/490824864.db2.gz HXCSJPBSKTVNEY-CVEARBPZSA-N 2 2 362.499 0.603 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C(=O)NC[C@H]3CCS(=O)(=O)C3)n2c1 ZINC000540601803 490830237 /nfs/dbraw/zinc/83/02/37/490830237.db2.gz FMHRGKBQWKCSNL-UONOGXRCSA-N 2 2 364.471 0.672 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000557193858 491358716 /nfs/dbraw/zinc/35/87/16/491358716.db2.gz SAIOFCULGLVUHV-ULQDDVLXSA-N 3 2 355.527 0.408 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000557193858 491358722 /nfs/dbraw/zinc/35/87/22/491358722.db2.gz SAIOFCULGLVUHV-ULQDDVLXSA-N 3 2 355.527 0.408 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](c3[nH+]ccn3C)C1)CC[NH2+]CC2 ZINC000515637700 490834204 /nfs/dbraw/zinc/83/42/04/490834204.db2.gz SLFRRUAQTZRFJU-HUUCEWRRSA-N 2 2 359.474 0.727 20 0 FCADLP C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[NH+](CCO)CC3)c2C1 ZINC000540963025 490842193 /nfs/dbraw/zinc/84/21/93/490842193.db2.gz SMUFWCQMCZGXTQ-UHFFFAOYSA-N 2 2 354.454 0.973 20 0 FCADLP C[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[NH+](CCO)CC3)c2C1 ZINC000540963025 490842194 /nfs/dbraw/zinc/84/21/94/490842194.db2.gz SMUFWCQMCZGXTQ-UHFFFAOYSA-N 2 2 354.454 0.973 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529304051 490848656 /nfs/dbraw/zinc/84/86/56/490848656.db2.gz SUBLJVVESPLEBH-KRWDZBQOSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529304051 490848657 /nfs/dbraw/zinc/84/86/57/490848657.db2.gz SUBLJVVESPLEBH-KRWDZBQOSA-N 2 2 368.522 0.897 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529302672 490848731 /nfs/dbraw/zinc/84/87/31/490848731.db2.gz AUMAAFCWEDUDLU-CQSZACIVSA-N 2 2 358.508 0.079 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CCOCC1 ZINC000529331626 490854141 /nfs/dbraw/zinc/85/41/41/490854141.db2.gz SVZKWOPCIWZHIF-GJZGRUSLSA-N 2 2 351.451 0.658 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182092 490855138 /nfs/dbraw/zinc/85/51/38/490855138.db2.gz ISBQOZHGSDHVOE-MSOLQXFVSA-N 2 2 370.497 0.949 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182092 490855141 /nfs/dbraw/zinc/85/51/41/490855141.db2.gz ISBQOZHGSDHVOE-MSOLQXFVSA-N 2 2 370.497 0.949 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000529355587 490856278 /nfs/dbraw/zinc/85/62/78/490856278.db2.gz MJPUAXHJXANXCF-HRCADAONSA-N 2 2 364.469 0.916 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000529355587 490856281 /nfs/dbraw/zinc/85/62/81/490856281.db2.gz MJPUAXHJXANXCF-HRCADAONSA-N 2 2 364.469 0.916 20 0 FCADLP CCOC[C@@H](O)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000516563509 490868502 /nfs/dbraw/zinc/86/85/02/490868502.db2.gz JXEXEAIPQFCFNZ-HOTGVXAUSA-N 2 2 365.478 0.269 20 0 FCADLP C[C@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1[NH+](C)C ZINC000541755271 490871056 /nfs/dbraw/zinc/87/10/56/490871056.db2.gz KVRLYFYOBYMGPZ-YOEHRIQHSA-N 2 2 374.489 0.883 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000516651207 490872754 /nfs/dbraw/zinc/87/27/54/490872754.db2.gz UQMHLLRZVYCQKL-CVEARBPZSA-N 2 2 357.520 0.344 20 0 FCADLP CNC(=O)C1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000541826743 490873723 /nfs/dbraw/zinc/87/37/23/490873723.db2.gz BUZXUENMXSZSRJ-UHFFFAOYSA-N 2 2 353.511 0.616 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)[C@@H](C[NH3+])C1 ZINC000557199057 491359190 /nfs/dbraw/zinc/35/91/90/491359190.db2.gz LIJJYGPFCNGZHF-JZXOWHBKSA-N 2 2 372.473 0.170 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)[C@@H](C[NH3+])C1 ZINC000557199057 491359192 /nfs/dbraw/zinc/35/91/92/491359192.db2.gz LIJJYGPFCNGZHF-JZXOWHBKSA-N 2 2 372.473 0.170 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)[C@H](C[NH3+])C1 ZINC000516916122 490884340 /nfs/dbraw/zinc/88/43/40/490884340.db2.gz QZDCJGFCSGFIBG-CQSZACIVSA-N 2 2 373.457 0.347 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cc[nH+]c2C2CC2)CC1 ZINC000530131734 490889841 /nfs/dbraw/zinc/88/98/41/490889841.db2.gz SBDXSFFRGQXMCE-UHFFFAOYSA-N 2 2 366.429 0.786 20 0 FCADLP COc1ccccc1OC[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565294894 491367959 /nfs/dbraw/zinc/36/79/59/491367959.db2.gz SJRMMANOKFTHCP-GJZGRUSLSA-N 2 2 350.463 0.994 20 0 FCADLP COc1ccccc1OC[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565294894 491367961 /nfs/dbraw/zinc/36/79/61/491367961.db2.gz SJRMMANOKFTHCP-GJZGRUSLSA-N 2 2 350.463 0.994 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000517431792 490908952 /nfs/dbraw/zinc/90/89/52/490908952.db2.gz GHMVHOAUISPDEO-UHFFFAOYSA-N 2 2 356.536 0.483 20 0 FCADLP CSC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000517431792 490908955 /nfs/dbraw/zinc/90/89/55/490908955.db2.gz GHMVHOAUISPDEO-UHFFFAOYSA-N 2 2 356.536 0.483 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530571209 490913461 /nfs/dbraw/zinc/91/34/61/490913461.db2.gz OBMAQGVOPZHXJH-FQEVSTJZSA-N 2 2 361.486 0.804 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530571209 490913464 /nfs/dbraw/zinc/91/34/64/490913464.db2.gz OBMAQGVOPZHXJH-FQEVSTJZSA-N 2 2 361.486 0.804 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000530588467 490915176 /nfs/dbraw/zinc/91/51/76/490915176.db2.gz WZYCZAQKCSEXJJ-UHFFFAOYSA-N 2 2 369.554 0.766 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000530588467 490915179 /nfs/dbraw/zinc/91/51/79/490915179.db2.gz WZYCZAQKCSEXJJ-UHFFFAOYSA-N 2 2 369.554 0.766 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)cc[nH+]1 ZINC000542962387 490916890 /nfs/dbraw/zinc/91/68/90/490916890.db2.gz PNQVRIAIXXPJAL-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530654411 490917739 /nfs/dbraw/zinc/91/77/39/490917739.db2.gz NSAUBTVZESANOE-OAQYLSRUSA-N 3 2 374.529 0.766 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530654411 490917742 /nfs/dbraw/zinc/91/77/42/490917742.db2.gz NSAUBTVZESANOE-OAQYLSRUSA-N 3 2 374.529 0.766 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881157 490923392 /nfs/dbraw/zinc/92/33/92/490923392.db2.gz ZOGKEQMHNJSBAF-MJGOQNOKSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CCO1 ZINC000517881157 490923394 /nfs/dbraw/zinc/92/33/94/490923394.db2.gz ZOGKEQMHNJSBAF-MJGOQNOKSA-N 2 2 360.502 0.812 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517915111 490924347 /nfs/dbraw/zinc/92/43/47/490924347.db2.gz XEGATQHAEJWFRM-UHFFFAOYSA-N 2 2 372.477 0.612 20 0 FCADLP Cc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(C)(=O)=O ZINC000530881346 490929937 /nfs/dbraw/zinc/92/99/37/490929937.db2.gz WPLBZZMZICIDFG-UHFFFAOYSA-N 2 2 355.504 0.964 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3c[nH+]c(N(C)C)n3C)C2)CC1 ZINC000530962341 490933205 /nfs/dbraw/zinc/93/32/05/490933205.db2.gz PAXOWFAYOAOYSO-OAHLLOKOSA-N 2 2 363.510 0.408 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531053303 490938457 /nfs/dbraw/zinc/93/84/57/490938457.db2.gz PEVVNUXRVIYLEM-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531053303 490938459 /nfs/dbraw/zinc/93/84/59/490938459.db2.gz PEVVNUXRVIYLEM-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531053303 490938462 /nfs/dbraw/zinc/93/84/62/490938462.db2.gz PEVVNUXRVIYLEM-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531053303 490938464 /nfs/dbraw/zinc/93/84/64/490938464.db2.gz PEVVNUXRVIYLEM-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000518496629 490943368 /nfs/dbraw/zinc/94/33/68/490943368.db2.gz YMPGQQJNCSYAAV-GFCCVEGCSA-N 2 2 354.838 0.896 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000518496629 490943370 /nfs/dbraw/zinc/94/33/70/490943370.db2.gz YMPGQQJNCSYAAV-GFCCVEGCSA-N 2 2 354.838 0.896 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCC[N@H+](C)CCOC)C2)CC1 ZINC000518522952 490944202 /nfs/dbraw/zinc/94/42/02/490944202.db2.gz WFBMCWHCCBPVBL-QGZVFWFLSA-N 2 2 355.527 0.376 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCC[N@@H+](C)CCOC)C2)CC1 ZINC000518522952 490944204 /nfs/dbraw/zinc/94/42/04/490944204.db2.gz WFBMCWHCCBPVBL-QGZVFWFLSA-N 2 2 355.527 0.376 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000572383113 491366594 /nfs/dbraw/zinc/36/65/94/491366594.db2.gz UQXSDIMHQQXDDJ-NVXWUHKLSA-N 2 2 362.474 0.242 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000572383113 491366596 /nfs/dbraw/zinc/36/65/96/491366596.db2.gz UQXSDIMHQQXDDJ-NVXWUHKLSA-N 2 2 362.474 0.242 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000519653907 490982367 /nfs/dbraw/zinc/98/23/67/490982367.db2.gz MCGFRKZCGVNAHE-TUKIKUTGSA-N 2 2 352.460 0.332 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000519653907 490982368 /nfs/dbraw/zinc/98/23/68/490982368.db2.gz MCGFRKZCGVNAHE-TUKIKUTGSA-N 2 2 352.460 0.332 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000519673802 490983511 /nfs/dbraw/zinc/98/35/11/490983511.db2.gz VJZNVOMMMFTAOH-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000532027165 490983705 /nfs/dbraw/zinc/98/37/05/490983705.db2.gz JPPRPGPTVCACBU-HYVNUMGLSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000532027165 490983707 /nfs/dbraw/zinc/98/37/07/490983707.db2.gz JPPRPGPTVCACBU-HYVNUMGLSA-N 2 2 354.495 0.384 20 0 FCADLP O=C(N1CC(n2cc[nH+]c2)C1)C1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000532398513 490992371 /nfs/dbraw/zinc/99/23/71/490992371.db2.gz CVTWOBZZMAKHFU-UHFFFAOYSA-N 2 2 354.414 0.717 20 0 FCADLP COC(=O)CNC(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000602751437 491996919 /nfs/dbraw/zinc/99/69/19/491996919.db2.gz SKUDLBRXFZUODP-UHFFFAOYSA-N 2 2 351.422 0.711 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000569584997 491170878 /nfs/dbraw/zinc/17/08/78/491170878.db2.gz OGSYYYYGOZUDTQ-SJLPKXTDSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000569584997 491170881 /nfs/dbraw/zinc/17/08/81/491170881.db2.gz OGSYYYYGOZUDTQ-SJLPKXTDSA-N 2 2 354.454 0.981 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CCOC1 ZINC000554029591 491171303 /nfs/dbraw/zinc/17/13/03/491171303.db2.gz JYFZOLFWAWHTAP-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@]1(C)CCOC1 ZINC000554029591 491171304 /nfs/dbraw/zinc/17/13/04/491171304.db2.gz JYFZOLFWAWHTAP-SFHVURJKSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000569724083 491186147 /nfs/dbraw/zinc/18/61/47/491186147.db2.gz XHNKDEIXJBOSHY-ZDUSSCGKSA-N 2 2 354.476 0.560 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000569724083 491186149 /nfs/dbraw/zinc/18/61/49/491186149.db2.gz XHNKDEIXJBOSHY-ZDUSSCGKSA-N 2 2 354.476 0.560 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000565351300 491371311 /nfs/dbraw/zinc/37/13/11/491371311.db2.gz FTPZKJFTBZATCB-HNNXBMFYSA-N 2 2 360.458 0.186 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000572467396 491372106 /nfs/dbraw/zinc/37/21/06/491372106.db2.gz LDXFOWOGQSXOHD-CVEARBPZSA-N 2 2 366.506 0.524 20 0 FCADLP CCN1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000572467107 491372189 /nfs/dbraw/zinc/37/21/89/491372189.db2.gz GVNGLXLKJXTSNJ-YOEHRIQHSA-N 2 2 350.467 0.567 20 0 FCADLP CCNc1nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439166 491376895 /nfs/dbraw/zinc/37/68/95/491376895.db2.gz FAQPSMFDLBODBG-STQMWFEESA-N 2 2 351.499 0.827 20 0 FCADLP CCNc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000565439166 491376897 /nfs/dbraw/zinc/37/68/97/491376897.db2.gz FAQPSMFDLBODBG-STQMWFEESA-N 2 2 351.499 0.827 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000557549818 491381455 /nfs/dbraw/zinc/38/14/55/491381455.db2.gz LABPPLCGNJHZKB-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000572626887 491382606 /nfs/dbraw/zinc/38/26/06/491382606.db2.gz AKWKPLPSQPHYSV-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000572626887 491382608 /nfs/dbraw/zinc/38/26/08/491382608.db2.gz AKWKPLPSQPHYSV-OAGGEKHMSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000572654872 491384500 /nfs/dbraw/zinc/38/45/00/491384500.db2.gz PTPKRTNBJFBYHP-UHFFFAOYSA-N 2 2 368.503 0.107 20 0 FCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(C)(CN2CC[NH+](C)CC2)CC1 ZINC000660274968 493338751 /nfs/dbraw/zinc/33/87/51/493338751.db2.gz ABWOZJRKBVMPID-JKSUJKDBSA-N 2 2 359.536 0.148 20 0 FCADLP C[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CC(C)C1 ZINC000557594249 491386263 /nfs/dbraw/zinc/38/62/63/491386263.db2.gz WIXUIXSPATXUKW-IYBDPMFKSA-N 2 2 352.523 0.925 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C)CCOCC1 ZINC000557686727 491391031 /nfs/dbraw/zinc/39/10/31/491391031.db2.gz JLJXRMMQRCFYKD-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1(C)CCOCC1 ZINC000557686727 491391032 /nfs/dbraw/zinc/39/10/32/491391032.db2.gz JLJXRMMQRCFYKD-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000565651702 491391108 /nfs/dbraw/zinc/39/11/08/491391108.db2.gz PWPZRXYQERYTAK-BSDSXHPESA-N 3 2 350.507 0.430 20 0 FCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(N2CCOCC2)c1 ZINC000565647576 491391121 /nfs/dbraw/zinc/39/11/21/491391121.db2.gz UVTCQPRXKPVAFQ-KRWDZBQOSA-N 2 2 361.490 0.616 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000668359839 493339835 /nfs/dbraw/zinc/33/98/35/493339835.db2.gz HUNDDQFYPHIGEY-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000668359839 493339837 /nfs/dbraw/zinc/33/98/37/493339837.db2.gz HUNDDQFYPHIGEY-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)C[C@@H](C)O1 ZINC000572763375 491392251 /nfs/dbraw/zinc/39/22/51/491392251.db2.gz WTCURRDBFBQHEV-KCYZZUKISA-N 2 2 371.909 0.946 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557703608 491392301 /nfs/dbraw/zinc/39/23/01/491392301.db2.gz FCWKWLVYYFRUQL-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557703608 491392302 /nfs/dbraw/zinc/39/23/02/491392302.db2.gz FCWKWLVYYFRUQL-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C[NH3+])C1 ZINC000565765499 491398163 /nfs/dbraw/zinc/39/81/63/491398163.db2.gz SREJLENGMUXOJL-BBWFWOEESA-N 3 2 353.511 0.039 20 0 FCADLP C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C[NH3+])C1 ZINC000565765499 491398165 /nfs/dbraw/zinc/39/81/65/491398165.db2.gz SREJLENGMUXOJL-BBWFWOEESA-N 3 2 353.511 0.039 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000565822974 491401188 /nfs/dbraw/zinc/40/11/88/491401188.db2.gz HZTSOEJSSBLIIT-FGTMMUONSA-N 2 2 362.474 0.077 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000572956526 491403841 /nfs/dbraw/zinc/40/38/41/491403841.db2.gz NINGMYZSLCTZGO-KZNAEPCWSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000572956526 491403842 /nfs/dbraw/zinc/40/38/42/491403842.db2.gz NINGMYZSLCTZGO-KZNAEPCWSA-N 2 2 368.522 0.774 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1([NH+]2CCCC2)CCOCC1 ZINC000565878492 491404656 /nfs/dbraw/zinc/40/46/56/491404656.db2.gz VNRLSMQLIMQUEW-CALCHBBNSA-N 2 2 366.506 0.794 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1([NH+]2CCCC2)CCOCC1 ZINC000565878492 491404659 /nfs/dbraw/zinc/40/46/59/491404659.db2.gz VNRLSMQLIMQUEW-CALCHBBNSA-N 2 2 366.506 0.794 20 0 FCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000565890894 491405649 /nfs/dbraw/zinc/40/56/49/491405649.db2.gz XTBDZFVTKRBZLO-NVXWUHKLSA-N 2 2 350.507 0.825 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1)N1CCCC1 ZINC000572996081 491406513 /nfs/dbraw/zinc/40/65/13/491406513.db2.gz IFODVPYOZIUJPM-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1)N1CCCC1 ZINC000572996081 491406514 /nfs/dbraw/zinc/40/65/14/491406514.db2.gz IFODVPYOZIUJPM-INIZCTEOSA-N 2 2 359.474 0.602 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000573042390 491409529 /nfs/dbraw/zinc/40/95/29/491409529.db2.gz UOLSQGDAPXVCBZ-UHFFFAOYSA-N 2 2 360.462 0.615 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000573042390 491409531 /nfs/dbraw/zinc/40/95/31/491409531.db2.gz UOLSQGDAPXVCBZ-UHFFFAOYSA-N 2 2 360.462 0.615 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000565996273 491411193 /nfs/dbraw/zinc/41/11/93/491411193.db2.gz QIBZWCVNUFMSND-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000565996273 491411196 /nfs/dbraw/zinc/41/11/96/491411196.db2.gz QIBZWCVNUFMSND-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cn2c1 ZINC000566021213 491413419 /nfs/dbraw/zinc/41/34/19/491413419.db2.gz QJDFMQHCHSEYLI-GJZGRUSLSA-N 2 2 373.482 0.646 20 0 FCADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000558133642 491415985 /nfs/dbraw/zinc/41/59/85/491415985.db2.gz WRZLBTYPAVHNGL-IRXDYDNUSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000573197554 491418153 /nfs/dbraw/zinc/41/81/53/491418153.db2.gz IBLOPENVXYCZRR-DOTOQJQBSA-N 2 2 366.531 0.710 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118778 491418841 /nfs/dbraw/zinc/41/88/41/491418841.db2.gz ZPLRNXDZKYHHIQ-HZPDHXFCSA-N 2 2 362.474 0.146 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118778 491418844 /nfs/dbraw/zinc/41/88/44/491418844.db2.gz ZPLRNXDZKYHHIQ-HZPDHXFCSA-N 2 2 362.474 0.146 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000566132421 491419316 /nfs/dbraw/zinc/41/93/16/491419316.db2.gz XAAHODWTEDRBBU-KCYAQADSSA-N 2 2 352.479 0.557 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000573235032 491421202 /nfs/dbraw/zinc/42/12/02/491421202.db2.gz YJLSNRUGFLXRNY-JKSUJKDBSA-N 2 2 374.489 0.819 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000573235032 491421203 /nfs/dbraw/zinc/42/12/03/491421203.db2.gz YJLSNRUGFLXRNY-JKSUJKDBSA-N 2 2 374.489 0.819 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558235438 491421766 /nfs/dbraw/zinc/42/17/66/491421766.db2.gz FTJNQUPZKNTUGI-BRWVUGGUSA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558235438 491421767 /nfs/dbraw/zinc/42/17/67/491421767.db2.gz FTJNQUPZKNTUGI-BRWVUGGUSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000566169296 491422632 /nfs/dbraw/zinc/42/26/32/491422632.db2.gz BHXGVFILCAQJCK-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000566195833 491425060 /nfs/dbraw/zinc/42/50/60/491425060.db2.gz PMOKFYBYBGIXOE-ROUUACIJSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000573345365 491427618 /nfs/dbraw/zinc/42/76/18/491427618.db2.gz NJTGIFACHMJIOB-OAHLLOKOSA-N 2 2 365.522 0.700 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351445 491439125 /nfs/dbraw/zinc/43/91/25/491439125.db2.gz IFOQTXVXXWLRON-QGZVFWFLSA-N 2 2 372.513 0.697 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374510 493343376 /nfs/dbraw/zinc/34/33/76/493343376.db2.gz WAJPTRSYPFWCRI-UONOGXRCSA-N 2 2 359.465 0.794 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374510 493343380 /nfs/dbraw/zinc/34/33/80/493343380.db2.gz WAJPTRSYPFWCRI-UONOGXRCSA-N 2 2 359.465 0.794 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374511 493343403 /nfs/dbraw/zinc/34/34/03/493343403.db2.gz WAJPTRSYPFWCRI-ZIAGYGMSSA-N 2 2 359.465 0.794 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)CC1 ZINC000668374511 493343406 /nfs/dbraw/zinc/34/34/06/493343406.db2.gz WAJPTRSYPFWCRI-ZIAGYGMSSA-N 2 2 359.465 0.794 20 0 FCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000573741280 491452110 /nfs/dbraw/zinc/45/21/10/491452110.db2.gz NNMFHWKOEPVGBD-CQSZACIVSA-N 2 2 357.414 0.488 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000573739257 491452255 /nfs/dbraw/zinc/45/22/55/491452255.db2.gz ICXFFUFOVQWAIO-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000573739257 491452256 /nfs/dbraw/zinc/45/22/56/491452256.db2.gz ICXFFUFOVQWAIO-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000566569420 491454041 /nfs/dbraw/zinc/45/40/41/491454041.db2.gz SOTITZFWQLNGSP-MRXNPFEDSA-N 2 2 355.504 0.742 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000566569420 491454042 /nfs/dbraw/zinc/45/40/42/491454042.db2.gz SOTITZFWQLNGSP-MRXNPFEDSA-N 2 2 355.504 0.742 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000573786175 491454532 /nfs/dbraw/zinc/45/45/32/491454532.db2.gz FVTQWGVETURJKO-LSDHHAIUSA-N 2 2 351.495 0.370 20 0 FCADLP C[N@H+](C[C@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1)C1CC1 ZINC000566589864 491455340 /nfs/dbraw/zinc/45/53/40/491455340.db2.gz ODQIVAHMCRBYSS-SFHVURJKSA-N 2 2 352.523 0.508 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1)C1CC1 ZINC000566589864 491455341 /nfs/dbraw/zinc/45/53/41/491455341.db2.gz ODQIVAHMCRBYSS-SFHVURJKSA-N 2 2 352.523 0.508 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000566610443 491455796 /nfs/dbraw/zinc/45/57/96/491455796.db2.gz JKDRZQQDFGYHHU-UHFFFAOYSA-N 2 2 374.485 0.325 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000668376962 493344331 /nfs/dbraw/zinc/34/43/31/493344331.db2.gz SKLOZQKIDBOGKH-UHFFFAOYSA-N 2 2 370.457 0.423 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000573867763 491459799 /nfs/dbraw/zinc/45/97/99/491459799.db2.gz SJVWEVDTEJGWEX-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)[C@@H](C[NH3+])C1 ZINC000566728228 491463012 /nfs/dbraw/zinc/46/30/12/491463012.db2.gz QVNIRQMWOVMMEC-JKSUJKDBSA-N 2 2 351.495 0.594 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)[C@@H](C[NH3+])C1 ZINC000566728228 491463014 /nfs/dbraw/zinc/46/30/14/491463014.db2.gz QVNIRQMWOVMMEC-JKSUJKDBSA-N 2 2 351.495 0.594 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000573932118 491463930 /nfs/dbraw/zinc/46/39/30/491463930.db2.gz CLXPTROMRFYJFS-IBGZPJMESA-N 2 2 374.529 0.983 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000573932118 491463932 /nfs/dbraw/zinc/46/39/32/491463932.db2.gz CLXPTROMRFYJFS-IBGZPJMESA-N 2 2 374.529 0.983 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559376873 491468544 /nfs/dbraw/zinc/46/85/44/491468544.db2.gz AGSIJDAVVWDNDD-OAHLLOKOSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000559439998 491473501 /nfs/dbraw/zinc/47/35/01/491473501.db2.gz DWXOIIHCWLEBED-IAGOWNOFSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000559439998 491473502 /nfs/dbraw/zinc/47/35/02/491473502.db2.gz DWXOIIHCWLEBED-IAGOWNOFSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000559439998 491473503 /nfs/dbraw/zinc/47/35/03/491473503.db2.gz DWXOIIHCWLEBED-IAGOWNOFSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000559439998 491473504 /nfs/dbraw/zinc/47/35/04/491473504.db2.gz DWXOIIHCWLEBED-IAGOWNOFSA-N 2 2 368.522 0.258 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)ccc2n1C ZINC000574086339 491473862 /nfs/dbraw/zinc/47/38/62/491473862.db2.gz DVUTXWIREMADHU-UHFFFAOYSA-N 2 2 350.444 0.987 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000559505625 491478417 /nfs/dbraw/zinc/47/84/17/491478417.db2.gz ABHZUTXSUJSNKQ-RBSFLKMASA-N 2 2 368.522 0.589 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000559505625 491478419 /nfs/dbraw/zinc/47/84/19/491478419.db2.gz ABHZUTXSUJSNKQ-RBSFLKMASA-N 2 2 368.522 0.589 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000559562407 491481679 /nfs/dbraw/zinc/48/16/79/491481679.db2.gz MVQZXFUOBYQELE-HNNXBMFYSA-N 2 2 361.490 0.973 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000567047011 491482340 /nfs/dbraw/zinc/48/23/40/491482340.db2.gz DSKHCWMXWDRVNU-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000660301598 493341536 /nfs/dbraw/zinc/34/15/36/493341536.db2.gz VNMBXWHGRMMRKQ-BRWVUGGUSA-N 2 2 354.495 0.602 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000567278082 491496746 /nfs/dbraw/zinc/49/67/46/491496746.db2.gz BYDTWWNHMYKNJM-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000567278082 491496747 /nfs/dbraw/zinc/49/67/47/491496747.db2.gz BYDTWWNHMYKNJM-IAGOWNOFSA-N 2 2 366.506 0.155 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000567286651 491497124 /nfs/dbraw/zinc/49/71/24/491497124.db2.gz RBBYRHJATQLFPF-MRXNPFEDSA-N 2 2 359.430 0.930 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766772 491498253 /nfs/dbraw/zinc/49/82/53/491498253.db2.gz KUCICUZFVUMMRJ-PBHICJAKSA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766772 491498255 /nfs/dbraw/zinc/49/82/55/491498255.db2.gz KUCICUZFVUMMRJ-PBHICJAKSA-N 2 2 352.504 0.547 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000567313804 491499152 /nfs/dbraw/zinc/49/91/52/491499152.db2.gz LNIAJZPQTHFIFE-WBAXXEDZSA-N 2 2 353.486 0.719 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000567313804 491499154 /nfs/dbraw/zinc/49/91/54/491499154.db2.gz LNIAJZPQTHFIFE-WBAXXEDZSA-N 2 2 353.486 0.719 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000567313804 491499157 /nfs/dbraw/zinc/49/91/57/491499157.db2.gz LNIAJZPQTHFIFE-WBAXXEDZSA-N 2 2 353.486 0.719 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567313804 491499159 /nfs/dbraw/zinc/49/91/59/491499159.db2.gz LNIAJZPQTHFIFE-WBAXXEDZSA-N 2 2 353.486 0.719 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499030 491500562 /nfs/dbraw/zinc/50/05/62/491500562.db2.gz VPWIDOYIAOHUGO-ZBFHGGJFSA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499030 491500564 /nfs/dbraw/zinc/50/05/64/491500564.db2.gz VPWIDOYIAOHUGO-ZBFHGGJFSA-N 2 2 357.458 0.701 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000559808480 491501371 /nfs/dbraw/zinc/50/13/71/491501371.db2.gz JEPPTFDCEOJOPM-MRXNPFEDSA-N 2 2 361.490 0.942 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000574512098 491502058 /nfs/dbraw/zinc/50/20/58/491502058.db2.gz GJXXHYOVPPKVIF-QGZVFWFLSA-N 2 2 367.465 0.845 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000567416208 491505390 /nfs/dbraw/zinc/50/53/90/491505390.db2.gz JWPIWGGPXIDVFE-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000567416208 491505392 /nfs/dbraw/zinc/50/53/92/491505392.db2.gz JWPIWGGPXIDVFE-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000559902910 491508409 /nfs/dbraw/zinc/50/84/09/491508409.db2.gz VTKSBXGFUFNEBT-GJZGRUSLSA-N 2 2 359.474 0.786 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000559902910 491508411 /nfs/dbraw/zinc/50/84/11/491508411.db2.gz VTKSBXGFUFNEBT-GJZGRUSLSA-N 2 2 359.474 0.786 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000574630001 491509500 /nfs/dbraw/zinc/50/95/00/491509500.db2.gz NCSHWJJJZFEPDC-FHWLQOOXSA-N 2 2 370.497 0.835 20 0 FCADLP CC(C)[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@@H+]1C ZINC000574656525 491511339 /nfs/dbraw/zinc/51/13/39/491511339.db2.gz NIVYZMWYOHTWDB-QGZVFWFLSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[N@H+]1C ZINC000574656525 491511341 /nfs/dbraw/zinc/51/13/41/491511341.db2.gz NIVYZMWYOHTWDB-QGZVFWFLSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000567603993 491517415 /nfs/dbraw/zinc/51/74/15/491517415.db2.gz MBKODBABTYKZFP-BZUAXINKSA-N 2 2 360.524 0.004 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000567680398 491522749 /nfs/dbraw/zinc/52/27/49/491522749.db2.gz XLCIVFVPPHOLJD-VBQJREDUSA-N 2 2 371.503 0.618 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000567680398 491522751 /nfs/dbraw/zinc/52/27/51/491522751.db2.gz XLCIVFVPPHOLJD-VBQJREDUSA-N 2 2 371.503 0.618 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567736043 491526182 /nfs/dbraw/zinc/52/61/82/491526182.db2.gz CCTQIIYIWIBMNF-JKSUJKDBSA-N 3 2 361.490 0.752 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000567774263 491528705 /nfs/dbraw/zinc/52/87/05/491528705.db2.gz DQCWSKMBVDQPOJ-HNNXBMFYSA-N 2 2 365.503 0.436 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000567774263 491528706 /nfs/dbraw/zinc/52/87/06/491528706.db2.gz DQCWSKMBVDQPOJ-HNNXBMFYSA-N 2 2 365.503 0.436 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000574939201 491529495 /nfs/dbraw/zinc/52/94/95/491529495.db2.gz GGWLXINZXMTPFR-NOLJZWGESA-N 2 2 359.474 0.784 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000574939201 491529497 /nfs/dbraw/zinc/52/94/97/491529497.db2.gz GGWLXINZXMTPFR-NOLJZWGESA-N 2 2 359.474 0.784 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@H](C)[N@H+]1C ZINC000560407784 491538072 /nfs/dbraw/zinc/53/80/72/491538072.db2.gz FOXDRTAVAVAVAD-IYBDPMFKSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@H](C)[N@@H+]1C ZINC000560407784 491538074 /nfs/dbraw/zinc/53/80/74/491538074.db2.gz FOXDRTAVAVAVAD-IYBDPMFKSA-N 2 2 365.522 0.665 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567904595 491539830 /nfs/dbraw/zinc/53/98/30/491539830.db2.gz FQSDWVWUFQLHCF-IAGOWNOFSA-N 2 2 364.515 0.455 20 0 FCADLP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccccc1C[NH+]1CCOCC1 ZINC000560506521 491543136 /nfs/dbraw/zinc/54/31/36/491543136.db2.gz FMDWZVSRRZLJRB-FQEVSTJZSA-N 2 2 359.470 0.705 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560562954 491544808 /nfs/dbraw/zinc/54/48/08/491544808.db2.gz BJGQJJRCJGNDSW-FZKCQIBNSA-N 2 2 356.511 0.303 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560562954 491544809 /nfs/dbraw/zinc/54/48/09/491544809.db2.gz BJGQJJRCJGNDSW-FZKCQIBNSA-N 2 2 356.511 0.303 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CC2)c1 ZINC000575228311 491546992 /nfs/dbraw/zinc/54/69/92/491546992.db2.gz IPLTYCUBQNMMMV-UHFFFAOYSA-N 2 2 371.485 0.735 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575235869 491547291 /nfs/dbraw/zinc/54/72/91/491547291.db2.gz LEKOLZVNJHCMJK-FVQHAEBGSA-N 2 2 363.506 0.228 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575322726 491548874 /nfs/dbraw/zinc/54/88/74/491548874.db2.gz SIFQEZLHOGGBTP-OIISXLGYSA-N 2 2 352.504 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575322726 491548875 /nfs/dbraw/zinc/54/88/75/491548875.db2.gz SIFQEZLHOGGBTP-OIISXLGYSA-N 2 2 352.504 0.916 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000568050475 491550277 /nfs/dbraw/zinc/55/02/77/491550277.db2.gz YELPCNWDMORYQL-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000568050475 491550279 /nfs/dbraw/zinc/55/02/79/491550279.db2.gz YELPCNWDMORYQL-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000568051475 491550332 /nfs/dbraw/zinc/55/03/32/491550332.db2.gz NIBQLZRUXRFGDI-IAGOWNOFSA-N 2 2 364.515 0.455 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560669412 491551477 /nfs/dbraw/zinc/55/14/77/491551477.db2.gz WDKOIHJGTQVQQK-HNNXBMFYSA-N 3 2 367.538 0.118 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1ccc(Cl)cc1 ZINC000575428413 491554437 /nfs/dbraw/zinc/55/44/37/491554437.db2.gz UGLFTAVIFUOAAB-INIZCTEOSA-N 2 2 352.866 0.881 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)c1ccc(Cl)cc1 ZINC000575428413 491554438 /nfs/dbraw/zinc/55/44/38/491554438.db2.gz UGLFTAVIFUOAAB-INIZCTEOSA-N 2 2 352.866 0.881 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000560764060 491555751 /nfs/dbraw/zinc/55/57/51/491555751.db2.gz LXOHQBLPXSTHQT-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCOCC3CC3)CC2)CC1 ZINC000560774025 491556926 /nfs/dbraw/zinc/55/69/26/491556926.db2.gz AKBLJLRMKRWURH-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000575739726 491557414 /nfs/dbraw/zinc/55/74/14/491557414.db2.gz XWWNBJKOCXXYBV-IRXDYDNUSA-N 2 2 352.523 0.724 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000575739726 491557416 /nfs/dbraw/zinc/55/74/16/491557416.db2.gz XWWNBJKOCXXYBV-IRXDYDNUSA-N 2 2 352.523 0.724 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@]3(C)CO)CC2)CC1 ZINC000560873145 491561018 /nfs/dbraw/zinc/56/10/18/491561018.db2.gz BTKRKSHZXQELQV-IBGZPJMESA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000560906853 491564091 /nfs/dbraw/zinc/56/40/91/491564091.db2.gz JQMJRJSXYHOFGP-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000560906853 491564093 /nfs/dbraw/zinc/56/40/93/491564093.db2.gz JQMJRJSXYHOFGP-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000560906853 491564095 /nfs/dbraw/zinc/56/40/95/491564095.db2.gz JQMJRJSXYHOFGP-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000560906853 491564098 /nfs/dbraw/zinc/56/40/98/491564098.db2.gz JQMJRJSXYHOFGP-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000668418906 493350640 /nfs/dbraw/zinc/35/06/40/493350640.db2.gz PFNDTWVZWIGPRZ-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000668418906 493350643 /nfs/dbraw/zinc/35/06/43/493350643.db2.gz PFNDTWVZWIGPRZ-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP C[C@]1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC[NH2+]C1 ZINC000560979705 491568272 /nfs/dbraw/zinc/56/82/72/491568272.db2.gz MINRRQFBCUXGAE-KRWDZBQOSA-N 2 2 350.467 0.727 20 0 FCADLP C[C@@]1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC[NH2+]C1 ZINC000560979706 491568484 /nfs/dbraw/zinc/56/84/84/491568484.db2.gz MINRRQFBCUXGAE-QGZVFWFLSA-N 2 2 350.467 0.727 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000575898517 491568565 /nfs/dbraw/zinc/56/85/65/491568565.db2.gz DTMLNKJMILMCNB-ROUUACIJSA-N 2 2 362.474 0.738 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+]([C@@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928121 491570947 /nfs/dbraw/zinc/57/09/47/491570947.db2.gz BFRXLSXKDCFNHY-RHSMWYFYSA-N 2 2 359.474 0.565 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000561137826 491578188 /nfs/dbraw/zinc/57/81/88/491578188.db2.gz UJIFRJKRVOAVNB-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000568491376 491580089 /nfs/dbraw/zinc/58/00/89/491580089.db2.gz VQPSONFNGVCELX-WMZOPIPTSA-N 2 2 362.474 0.208 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000568491374 491580286 /nfs/dbraw/zinc/58/02/86/491580286.db2.gz VQPSONFNGVCELX-FUHWJXTLSA-N 2 2 362.474 0.208 20 0 FCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000568510813 491581663 /nfs/dbraw/zinc/58/16/63/491581663.db2.gz AZLXFJNWAJPCOP-STQMWFEESA-N 2 2 365.243 0.840 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427812 493352519 /nfs/dbraw/zinc/35/25/19/493352519.db2.gz SEYXYUXYYXUTEK-HOTGVXAUSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427812 493352522 /nfs/dbraw/zinc/35/25/22/493352522.db2.gz SEYXYUXYYXUTEK-HOTGVXAUSA-N 2 2 368.522 0.448 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000577099492 491589142 /nfs/dbraw/zinc/58/91/42/491589142.db2.gz BLFBVBZNXYRMMD-AWEZNQCLSA-N 2 2 354.410 0.966 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000577094560 491589548 /nfs/dbraw/zinc/58/95/48/491589548.db2.gz NNVMBURPJKDXPP-WOJBJXKFSA-N 3 2 372.513 0.931 20 0 FCADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000584422022 491590530 /nfs/dbraw/zinc/59/05/30/491590530.db2.gz KOCDOVBHGIEDGD-SFHVURJKSA-N 2 2 358.486 0.536 20 0 FCADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000584422022 491590534 /nfs/dbraw/zinc/59/05/34/491590534.db2.gz KOCDOVBHGIEDGD-SFHVURJKSA-N 2 2 358.486 0.536 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000561367922 491602489 /nfs/dbraw/zinc/60/24/89/491602489.db2.gz MMATYQMDMVUPRD-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000561368804 491602917 /nfs/dbraw/zinc/60/29/17/491602917.db2.gz YVYMNNCCYVJATQ-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000561368804 491602919 /nfs/dbraw/zinc/60/29/19/491602919.db2.gz YVYMNNCCYVJATQ-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474562 493354707 /nfs/dbraw/zinc/35/47/07/493354707.db2.gz LQUFBONVISZPSW-MRXNPFEDSA-N 2 2 363.524 0.129 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474562 493354710 /nfs/dbraw/zinc/35/47/10/493354710.db2.gz LQUFBONVISZPSW-MRXNPFEDSA-N 2 2 363.524 0.129 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000568762578 491607756 /nfs/dbraw/zinc/60/77/56/491607756.db2.gz GUOKMZJEIVVSEI-HNNXBMFYSA-N 2 2 357.458 0.656 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000576386724 491610457 /nfs/dbraw/zinc/61/04/57/491610457.db2.gz SXNSQNYZAWHAKC-WMLDXEAASA-N 2 2 353.488 0.795 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576527160 491622603 /nfs/dbraw/zinc/62/26/03/491622603.db2.gz RENGKJNJYIIREH-LBPRGKRZSA-N 2 2 360.418 0.758 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576527160 491622606 /nfs/dbraw/zinc/62/26/06/491622606.db2.gz RENGKJNJYIIREH-LBPRGKRZSA-N 2 2 360.418 0.758 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000568976955 491623558 /nfs/dbraw/zinc/62/35/58/491623558.db2.gz XEPYWJQYUYDNDU-IRXDYDNUSA-N 2 2 373.501 0.182 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000568994540 491625599 /nfs/dbraw/zinc/62/55/99/491625599.db2.gz GOAGTJZGLYIJOE-OAHLLOKOSA-N 2 2 353.511 0.522 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000568994540 491625600 /nfs/dbraw/zinc/62/56/00/491625600.db2.gz GOAGTJZGLYIJOE-OAHLLOKOSA-N 2 2 353.511 0.522 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000576628102 491631119 /nfs/dbraw/zinc/63/11/19/491631119.db2.gz NTFADJGCLUUBPS-IBGZPJMESA-N 2 2 350.482 0.992 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000576628102 491631121 /nfs/dbraw/zinc/63/11/21/491631121.db2.gz NTFADJGCLUUBPS-IBGZPJMESA-N 2 2 350.482 0.992 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000577580641 491633975 /nfs/dbraw/zinc/63/39/75/491633975.db2.gz YNZRUNZWIVQYGT-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000577580641 491633977 /nfs/dbraw/zinc/63/39/77/491633977.db2.gz YNZRUNZWIVQYGT-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP CCN1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1=O ZINC000569106449 491634050 /nfs/dbraw/zinc/63/40/50/491634050.db2.gz IIZIFRZZJAHFPX-IRXDYDNUSA-N 2 2 355.442 0.538 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000577594929 491634536 /nfs/dbraw/zinc/63/45/36/491634536.db2.gz QLCVYOWHAMPNHJ-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000577612431 491636510 /nfs/dbraw/zinc/63/65/10/491636510.db2.gz WLFXGICYORFPQO-KRWDZBQOSA-N 2 2 360.458 0.380 20 0 FCADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)NC1C[NH2+]C1 ZINC000577713966 491644683 /nfs/dbraw/zinc/64/46/83/491644683.db2.gz NVRYOLUMGALCOI-AWEZNQCLSA-N 2 2 368.840 0.820 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000577724927 491645633 /nfs/dbraw/zinc/64/56/33/491645633.db2.gz OZPXRHXLJTWFAV-IAGOWNOFSA-N 2 2 363.506 0.182 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000576807813 491646641 /nfs/dbraw/zinc/64/66/41/491646641.db2.gz IOJJPFJKCIREEY-CVEARBPZSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000576807813 491646643 /nfs/dbraw/zinc/64/66/43/491646643.db2.gz IOJJPFJKCIREEY-CVEARBPZSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000576807815 491646660 /nfs/dbraw/zinc/64/66/60/491646660.db2.gz IOJJPFJKCIREEY-HZPDHXFCSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000576807815 491646662 /nfs/dbraw/zinc/64/66/62/491646662.db2.gz IOJJPFJKCIREEY-HZPDHXFCSA-N 2 2 351.495 0.452 20 0 FCADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000577742235 491648009 /nfs/dbraw/zinc/64/80/09/491648009.db2.gz FWPWLOARTBTHGL-RBUKOAKNSA-N 2 2 363.502 0.783 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562026470 491648793 /nfs/dbraw/zinc/64/87/93/491648793.db2.gz SKVYDOUIFLKZMZ-IRXDYDNUSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577752537 491649317 /nfs/dbraw/zinc/64/93/17/491649317.db2.gz ARPZKKVTLWHIML-UPJWGTAASA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577752537 491649320 /nfs/dbraw/zinc/64/93/20/491649320.db2.gz ARPZKKVTLWHIML-UPJWGTAASA-N 2 2 352.460 0.202 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCNC2=O)c1)[C@@H]1CCNC1=O ZINC000577824044 491654101 /nfs/dbraw/zinc/65/41/01/491654101.db2.gz SFULVIGBYLMLOE-HZPDHXFCSA-N 2 2 364.877 0.981 20 0 FCADLP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCNC2=O)c1)[C@@H]1CCNC1=O ZINC000577824044 491654104 /nfs/dbraw/zinc/65/41/04/491654104.db2.gz SFULVIGBYLMLOE-HZPDHXFCSA-N 2 2 364.877 0.981 20 0 FCADLP CN(C(=O)c1nccs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000683565926 493358908 /nfs/dbraw/zinc/35/89/08/493358908.db2.gz CBVQPHOAEKXNJL-UHFFFAOYSA-N 2 2 365.503 0.454 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(F)cc1 ZINC000577867170 491658322 /nfs/dbraw/zinc/65/83/22/491658322.db2.gz QMLQCZUYLXMHRM-BQFCYCMXSA-N 2 2 362.449 0.883 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(F)cc1 ZINC000577867170 491658326 /nfs/dbraw/zinc/65/83/26/491658326.db2.gz QMLQCZUYLXMHRM-BQFCYCMXSA-N 2 2 362.449 0.883 20 0 FCADLP CC1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000578306617 491674268 /nfs/dbraw/zinc/67/42/68/491674268.db2.gz ZGULGVWVWARKOU-QGZVFWFLSA-N 2 2 356.536 0.883 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578333999 491674893 /nfs/dbraw/zinc/67/48/93/491674893.db2.gz LWWMDBGNMVZNFK-ZDUSSCGKSA-N 2 2 352.435 0.497 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578333999 491674894 /nfs/dbraw/zinc/67/48/94/491674894.db2.gz LWWMDBGNMVZNFK-ZDUSSCGKSA-N 2 2 352.435 0.497 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000578425615 491677063 /nfs/dbraw/zinc/67/70/63/491677063.db2.gz QUEXWIKASUKEDB-WBVHZDCISA-N 2 2 365.522 0.747 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000578542209 491679501 /nfs/dbraw/zinc/67/95/01/491679501.db2.gz WUCWKHXOGPWOAV-CQSZACIVSA-N 2 2 368.522 0.591 20 0 FCADLP CC1(C)C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000578609160 491680806 /nfs/dbraw/zinc/68/08/06/491680806.db2.gz JXENZFIJWCAVHY-HNNXBMFYSA-N 2 2 368.503 0.691 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000578733981 491682955 /nfs/dbraw/zinc/68/29/55/491682955.db2.gz CHEHIPUKKYPWOO-SOLBZPMBSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000578733981 491682956 /nfs/dbraw/zinc/68/29/56/491682956.db2.gz CHEHIPUKKYPWOO-SOLBZPMBSA-N 2 2 373.501 0.886 20 0 FCADLP [NH3+]CC1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000578746655 491683424 /nfs/dbraw/zinc/68/34/24/491683424.db2.gz MLTSEPUGYABJRJ-UHFFFAOYSA-N 2 2 359.474 0.708 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000578860181 491685938 /nfs/dbraw/zinc/68/59/38/491685938.db2.gz NYLBCYFGYZAXFE-LZWOXQAQSA-N 2 2 371.503 0.154 20 0 FCADLP CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000578860181 491685939 /nfs/dbraw/zinc/68/59/39/491685939.db2.gz NYLBCYFGYZAXFE-LZWOXQAQSA-N 2 2 371.503 0.154 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@H](C[NH3+])C1 ZINC000579004721 491689040 /nfs/dbraw/zinc/68/90/40/491689040.db2.gz OKNFMQMVSFNKHT-IUODEOHRSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@H](C[NH3+])C1 ZINC000579004721 491689041 /nfs/dbraw/zinc/68/90/41/491689041.db2.gz OKNFMQMVSFNKHT-IUODEOHRSA-N 2 2 350.850 0.794 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCCC[NH2+]1 ZINC000579111844 491691211 /nfs/dbraw/zinc/69/12/11/491691211.db2.gz WCCYZCMATPWVNI-JKSUJKDBSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCCC[NH2+]1 ZINC000579111844 491691212 /nfs/dbraw/zinc/69/12/12/491691212.db2.gz WCCYZCMATPWVNI-JKSUJKDBSA-N 2 2 374.489 0.540 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000579119223 491691427 /nfs/dbraw/zinc/69/14/27/491691427.db2.gz LHAXKPDYYUSBCC-QGZVFWFLSA-N 2 2 368.522 0.437 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000579456240 491698141 /nfs/dbraw/zinc/69/81/41/491698141.db2.gz HGVLIZSEQOBKRY-LSDHHAIUSA-N 2 2 364.494 0.461 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000579461957 491698335 /nfs/dbraw/zinc/69/83/35/491698335.db2.gz POFMTGJYRMHTPL-QGZVFWFLSA-N 2 2 374.485 0.407 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000579469004 491698406 /nfs/dbraw/zinc/69/84/06/491698406.db2.gz PHGHOSMZJIQVEY-RDJZCZTQSA-N 2 2 359.474 0.545 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000579748177 491704791 /nfs/dbraw/zinc/70/47/91/491704791.db2.gz MBZYZIBRPZQYKP-KRWDZBQOSA-N 2 2 357.458 0.368 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000579856777 491707141 /nfs/dbraw/zinc/70/71/41/491707141.db2.gz XKHWWTFESBFPIF-IRXDYDNUSA-N 2 2 371.547 0.355 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCCS(N)(=O)=O)c2cc1C ZINC000584586116 491708731 /nfs/dbraw/zinc/70/87/31/491708731.db2.gz LISVWWDPVCUTPX-AWEZNQCLSA-N 2 2 354.476 0.672 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCS(=O)(=O)C[C@H]3C)CC2)CC1 ZINC000584663776 491709540 /nfs/dbraw/zinc/70/95/40/491709540.db2.gz LNUKOFKRNSYRCF-OAHLLOKOSA-N 2 2 371.547 0.828 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950042 491710647 /nfs/dbraw/zinc/71/06/47/491710647.db2.gz OOIGGZCMZZOBRG-ZBEGNZNMSA-N 2 2 355.385 0.966 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950042 491710649 /nfs/dbraw/zinc/71/06/49/491710649.db2.gz OOIGGZCMZZOBRG-ZBEGNZNMSA-N 2 2 355.385 0.966 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715514 /nfs/dbraw/zinc/71/55/14/491715514.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715515 /nfs/dbraw/zinc/71/55/15/491715515.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715516 /nfs/dbraw/zinc/71/55/16/491715516.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715517 /nfs/dbraw/zinc/71/55/17/491715517.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715518 /nfs/dbraw/zinc/71/55/18/491715518.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000584807884 491715519 /nfs/dbraw/zinc/71/55/19/491715519.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584807884 491715520 /nfs/dbraw/zinc/71/55/20/491715520.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584807884 491715521 /nfs/dbraw/zinc/71/55/21/491715521.db2.gz SWQSRIQMVCXYGN-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715539 /nfs/dbraw/zinc/71/55/39/491715539.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715541 /nfs/dbraw/zinc/71/55/41/491715541.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715542 /nfs/dbraw/zinc/71/55/42/491715542.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715544 /nfs/dbraw/zinc/71/55/44/491715544.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715546 /nfs/dbraw/zinc/71/55/46/491715546.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807886 491715547 /nfs/dbraw/zinc/71/55/47/491715547.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000584807886 491715548 /nfs/dbraw/zinc/71/55/48/491715548.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584807886 491715550 /nfs/dbraw/zinc/71/55/50/491715550.db2.gz SWQSRIQMVCXYGN-NFQUHZNNSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000580143403 491719238 /nfs/dbraw/zinc/71/92/38/491719238.db2.gz LMHPBFYJIMPMDT-CVYDXHPNSA-N 2 2 371.485 0.705 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000580143403 491719239 /nfs/dbraw/zinc/71/92/39/491719239.db2.gz LMHPBFYJIMPMDT-CVYDXHPNSA-N 2 2 371.485 0.705 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CC[C@@H](CO)O2)([NH+]2CCCCC2)CC1 ZINC000580148924 491719316 /nfs/dbraw/zinc/71/93/16/491719316.db2.gz MLABVOKKCRHIHN-SJORKVTESA-N 2 2 368.522 0.776 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000580332888 491726593 /nfs/dbraw/zinc/72/65/93/491726593.db2.gz HAVGSXIVIOYXTQ-FQEVSTJZSA-N 2 2 369.469 1.085 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000580414351 491730164 /nfs/dbraw/zinc/73/01/64/491730164.db2.gz PGHGZLVFOJRKDG-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000580414351 491730165 /nfs/dbraw/zinc/73/01/65/491730165.db2.gz PGHGZLVFOJRKDG-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000580543533 491735231 /nfs/dbraw/zinc/73/52/31/491735231.db2.gz GXHPLEPRDIFJLX-QQXMDYFESA-N 2 2 369.550 0.814 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000580543533 491735232 /nfs/dbraw/zinc/73/52/32/491735232.db2.gz GXHPLEPRDIFJLX-QQXMDYFESA-N 2 2 369.550 0.814 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000580543534 491735239 /nfs/dbraw/zinc/73/52/39/491735239.db2.gz GXHPLEPRDIFJLX-YKXHTNLXSA-N 2 2 369.550 0.814 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000580647257 491740106 /nfs/dbraw/zinc/74/01/06/491740106.db2.gz PPYCIOLPNGPCTP-GOSISDBHSA-N 2 2 358.486 0.918 20 0 FCADLP O=C(CC[NH2+][C@H](CO)C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000580734948 491743608 /nfs/dbraw/zinc/74/36/08/491743608.db2.gz NQJAQZOZTVESNC-QGZVFWFLSA-N 2 2 362.474 0.497 20 0 FCADLP CSC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588686093 491746153 /nfs/dbraw/zinc/74/61/53/491746153.db2.gz FQVKGYOJDNCEAC-ZFWWWQNUSA-N 2 2 356.536 0.481 20 0 FCADLP CSC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588686093 491746154 /nfs/dbraw/zinc/74/61/54/491746154.db2.gz FQVKGYOJDNCEAC-ZFWWWQNUSA-N 2 2 356.536 0.481 20 0 FCADLP COc1cccc(C(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1OC ZINC000580834607 491747939 /nfs/dbraw/zinc/74/79/39/491747939.db2.gz LCSSYTVQJCEJOV-UHFFFAOYSA-N 2 2 362.474 0.367 20 0 FCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000581195478 491763386 /nfs/dbraw/zinc/76/33/86/491763386.db2.gz LYGLMYWIUCNEKI-IBGZPJMESA-N 2 2 367.490 0.800 20 0 FCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000581195478 491763387 /nfs/dbraw/zinc/76/33/87/491763387.db2.gz LYGLMYWIUCNEKI-IBGZPJMESA-N 2 2 367.490 0.800 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)CC2 ZINC000581195700 491763391 /nfs/dbraw/zinc/76/33/91/491763391.db2.gz TWYMIVUBBMCFKY-AEFFLSMTSA-N 2 2 362.474 0.704 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC000581201106 491763985 /nfs/dbraw/zinc/76/39/85/491763985.db2.gz VMRGLRSKMICTKX-AWEZNQCLSA-N 2 2 360.462 0.229 20 0 FCADLP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000581383122 491771049 /nfs/dbraw/zinc/77/10/49/491771049.db2.gz TXXVZKDEWFGEGJ-BRWVUGGUSA-N 2 2 357.495 0.027 20 0 FCADLP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000581383122 491771050 /nfs/dbraw/zinc/77/10/50/491771050.db2.gz TXXVZKDEWFGEGJ-BRWVUGGUSA-N 2 2 357.495 0.027 20 0 FCADLP CC(C)(O)C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000590295221 491772807 /nfs/dbraw/zinc/77/28/07/491772807.db2.gz YIROPFMMDFOQHI-UHFFFAOYSA-N 2 2 374.529 0.719 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(S(C)(=O)=O)C3)CC2)CC1 ZINC000581439032 491773166 /nfs/dbraw/zinc/77/31/66/491773166.db2.gz HVXYYKGVOYKODZ-UHFFFAOYSA-N 2 2 357.520 0.438 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000581534588 491776514 /nfs/dbraw/zinc/77/65/14/491776514.db2.gz PQLDGKBZQWJERU-INIZCTEOSA-N 2 2 361.490 0.989 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556145 491777462 /nfs/dbraw/zinc/77/74/62/491777462.db2.gz TUGHYCKZDXQCLP-INIZCTEOSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556145 491777463 /nfs/dbraw/zinc/77/74/63/491777463.db2.gz TUGHYCKZDXQCLP-INIZCTEOSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556145 491777465 /nfs/dbraw/zinc/77/74/65/491777465.db2.gz TUGHYCKZDXQCLP-INIZCTEOSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556145 491777466 /nfs/dbraw/zinc/77/74/66/491777466.db2.gz TUGHYCKZDXQCLP-INIZCTEOSA-N 2 2 367.465 0.913 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581557141 491777902 /nfs/dbraw/zinc/77/79/02/491777902.db2.gz BZSLVZCWZXCVRB-HNNXBMFYSA-N 2 2 373.461 0.555 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581557141 491777903 /nfs/dbraw/zinc/77/79/03/491777903.db2.gz BZSLVZCWZXCVRB-HNNXBMFYSA-N 2 2 373.461 0.555 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)CCSCCC(=O)NC2C[NH+](C(C)C)C2)C1 ZINC000590910361 491788442 /nfs/dbraw/zinc/78/84/42/491788442.db2.gz PGXXCSPCHVNLGA-UHFFFAOYSA-N 2 2 370.563 0.917 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000590954136 491789999 /nfs/dbraw/zinc/78/99/99/491789999.db2.gz UZPMXFXPFKIZDJ-SFHVURJKSA-N 2 2 369.554 0.670 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000590954136 491790000 /nfs/dbraw/zinc/79/00/00/491790000.db2.gz UZPMXFXPFKIZDJ-SFHVURJKSA-N 2 2 369.554 0.670 20 0 FCADLP CS[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982595 491791050 /nfs/dbraw/zinc/79/10/50/491791050.db2.gz AXLVUZJOGQBGRO-CVEARBPZSA-N 2 2 368.547 0.577 20 0 FCADLP CS[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590982595 491791052 /nfs/dbraw/zinc/79/10/52/491791052.db2.gz AXLVUZJOGQBGRO-CVEARBPZSA-N 2 2 368.547 0.577 20 0 FCADLP CC(C)[NH2+]C1(CO)CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000582070841 491796586 /nfs/dbraw/zinc/79/65/86/491796586.db2.gz ZNOWUMKJXOQIEQ-UHFFFAOYSA-N 2 2 370.538 0.038 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000582075724 491797003 /nfs/dbraw/zinc/79/70/03/491797003.db2.gz MNGZJXZIGCOPHH-UONOGXRCSA-N 2 2 368.522 0.637 20 0 FCADLP O=C(CC[NH2+]C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000582132790 491799481 /nfs/dbraw/zinc/79/94/81/491799481.db2.gz YLWZTBNRAXOQED-MRXNPFEDSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(CC[NH2+]C1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000582132790 491799483 /nfs/dbraw/zinc/79/94/83/491799483.db2.gz YLWZTBNRAXOQED-MRXNPFEDSA-N 2 2 374.489 0.540 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000591278481 491800923 /nfs/dbraw/zinc/80/09/23/491800923.db2.gz HSOYBWZAWGUVIY-ZDUSSCGKSA-N 2 2 362.430 0.180 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000591615924 491812232 /nfs/dbraw/zinc/81/22/32/491812232.db2.gz FRLGRIRODWEJRJ-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000591615924 491812234 /nfs/dbraw/zinc/81/22/34/491812234.db2.gz FRLGRIRODWEJRJ-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP COC1(CO)CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000683676921 493365155 /nfs/dbraw/zinc/36/51/55/493365155.db2.gz MXNWYIZLTQRKGF-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000582620763 491820339 /nfs/dbraw/zinc/82/03/39/491820339.db2.gz QDNGKYMNZCYFGB-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC3(C[NH3+])CC3)CC2)cc1 ZINC000582724343 491823902 /nfs/dbraw/zinc/82/39/02/491823902.db2.gz NQFPVRXGHKSWRC-UHFFFAOYSA-N 2 2 374.485 0.698 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000582894911 491831042 /nfs/dbraw/zinc/83/10/42/491831042.db2.gz OEFZXLROQWMICY-ZWKOTPCHSA-N 2 2 369.469 0.874 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000582894911 491831044 /nfs/dbraw/zinc/83/10/44/491831044.db2.gz OEFZXLROQWMICY-ZWKOTPCHSA-N 2 2 369.469 0.874 20 0 FCADLP CN(C(=O)C1CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592089007 491831443 /nfs/dbraw/zinc/83/14/43/491831443.db2.gz LBISWPHEJSSKAJ-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)C2)nn1 ZINC000583138528 491838762 /nfs/dbraw/zinc/83/87/62/491838762.db2.gz WOLIAJCDZYVIEM-DGCLKSJQSA-N 2 2 357.409 0.328 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000583294445 491841924 /nfs/dbraw/zinc/84/19/24/491841924.db2.gz IFDYOIZLSUOWON-HOCLYGCPSA-N 2 2 365.478 0.008 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000583294445 491841925 /nfs/dbraw/zinc/84/19/25/491841925.db2.gz IFDYOIZLSUOWON-HOCLYGCPSA-N 2 2 365.478 0.008 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587970 491848047 /nfs/dbraw/zinc/84/80/47/491848047.db2.gz KBZWTYVKTSGWIS-CVEARBPZSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583587970 491848048 /nfs/dbraw/zinc/84/80/48/491848048.db2.gz KBZWTYVKTSGWIS-CVEARBPZSA-N 2 2 353.488 0.067 20 0 FCADLP CCS(=O)(=O)c1ccc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000583811377 491852527 /nfs/dbraw/zinc/85/25/27/491852527.db2.gz WSBJGCZSABGTAK-OAHLLOKOSA-N 2 2 353.488 0.514 20 0 FCADLP CCS(=O)(=O)c1ccc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000583811377 491852528 /nfs/dbraw/zinc/85/25/28/491852528.db2.gz WSBJGCZSABGTAK-OAHLLOKOSA-N 2 2 353.488 0.514 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850459 491853307 /nfs/dbraw/zinc/85/33/07/491853307.db2.gz MWTXLVWGYVKXFR-DZGCQCFKSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850459 491853308 /nfs/dbraw/zinc/85/33/08/491853308.db2.gz MWTXLVWGYVKXFR-DZGCQCFKSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850459 491853310 /nfs/dbraw/zinc/85/33/10/491853310.db2.gz MWTXLVWGYVKXFR-DZGCQCFKSA-N 2 2 359.492 0.266 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC000584126513 491859273 /nfs/dbraw/zinc/85/92/73/491859273.db2.gz KJUMHAGGGADVCE-KKUMJFAQSA-N 2 2 350.463 0.940 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC000584126513 491859274 /nfs/dbraw/zinc/85/92/74/491859274.db2.gz KJUMHAGGGADVCE-KKUMJFAQSA-N 2 2 350.463 0.940 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[NH+](C3CCC3)CC1)CCC2 ZINC000584195009 491860415 /nfs/dbraw/zinc/86/04/15/491860415.db2.gz JCAPKVYSDHMZID-OAHLLOKOSA-N 2 2 359.474 0.882 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C[NH3+])C1 ZINC000584230665 491861221 /nfs/dbraw/zinc/86/12/21/491861221.db2.gz REWGOBNUEFLOHO-FAKMSMKASA-N 2 2 362.518 0.810 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C[NH3+])C1 ZINC000584230665 491861222 /nfs/dbraw/zinc/86/12/22/491861222.db2.gz REWGOBNUEFLOHO-FAKMSMKASA-N 2 2 362.518 0.810 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875785 491869351 /nfs/dbraw/zinc/86/93/51/491869351.db2.gz QLHAQGUOAJYGCZ-DFBGVHRSSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875785 491869352 /nfs/dbraw/zinc/86/93/52/491869352.db2.gz QLHAQGUOAJYGCZ-DFBGVHRSSA-N 2 2 350.850 0.589 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000600724703 491878873 /nfs/dbraw/zinc/87/88/73/491878873.db2.gz HHEYQKHJSOLHNE-OLZOCXBDSA-N 2 2 365.396 0.857 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000600724703 491878874 /nfs/dbraw/zinc/87/88/74/491878874.db2.gz HHEYQKHJSOLHNE-OLZOCXBDSA-N 2 2 365.396 0.857 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000600726349 491879363 /nfs/dbraw/zinc/87/93/63/491879363.db2.gz FOOMYXJAQIQFLS-JSGCOSHPSA-N 2 2 367.471 0.686 20 0 FCADLP CCSC1(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000595145222 491889481 /nfs/dbraw/zinc/88/94/81/491889481.db2.gz VTUNKJSIHXHISC-UHFFFAOYSA-N 2 2 370.563 0.873 20 0 FCADLP CCSC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000595145222 491889483 /nfs/dbraw/zinc/88/94/83/491889483.db2.gz VTUNKJSIHXHISC-UHFFFAOYSA-N 2 2 370.563 0.873 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000612316224 491910115 /nfs/dbraw/zinc/91/01/15/491910115.db2.gz KRHGSCKISZPLDM-IAGOWNOFSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@@H](C)O1 ZINC000612316224 491910118 /nfs/dbraw/zinc/91/01/18/491910118.db2.gz KRHGSCKISZPLDM-IAGOWNOFSA-N 2 2 369.554 0.811 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cn21 ZINC000595275047 491910560 /nfs/dbraw/zinc/91/05/60/491910560.db2.gz ZBHBRLIBHDPNDO-GJZGRUSLSA-N 2 2 356.430 0.139 20 0 FCADLP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601471986 491925122 /nfs/dbraw/zinc/92/51/22/491925122.db2.gz BNOOKZLGQWDOHD-KRWDZBQOSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)c1cccc(OCC(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601471986 491925124 /nfs/dbraw/zinc/92/51/24/491925124.db2.gz BNOOKZLGQWDOHD-KRWDZBQOSA-N 2 2 374.485 0.791 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000612543583 491931924 /nfs/dbraw/zinc/93/19/24/491931924.db2.gz QYJYELKOQOZNQS-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000612543583 491931926 /nfs/dbraw/zinc/93/19/26/491931926.db2.gz QYJYELKOQOZNQS-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000612543583 491931928 /nfs/dbraw/zinc/93/19/28/491931928.db2.gz QYJYELKOQOZNQS-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000612543583 491931930 /nfs/dbraw/zinc/93/19/30/491931930.db2.gz QYJYELKOQOZNQS-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000612548417 491933256 /nfs/dbraw/zinc/93/32/56/491933256.db2.gz NBSSHNNBCZXAKO-SJLPKXTDSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000612548417 491933260 /nfs/dbraw/zinc/93/32/60/491933260.db2.gz NBSSHNNBCZXAKO-SJLPKXTDSA-N 2 2 373.501 0.887 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000595464941 491933469 /nfs/dbraw/zinc/93/34/69/491933469.db2.gz JXBZDCGNDRCWNV-AWEZNQCLSA-N 2 2 353.467 0.862 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000595464941 491933471 /nfs/dbraw/zinc/93/34/71/491933471.db2.gz JXBZDCGNDRCWNV-AWEZNQCLSA-N 2 2 353.467 0.862 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC[N@H+](C)C1 ZINC000602162643 491964706 /nfs/dbraw/zinc/96/47/06/491964706.db2.gz MAPCSZGFTBNOAR-CYBMUJFWSA-N 2 2 358.398 0.755 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC[N@@H+](C)C1 ZINC000602162643 491964709 /nfs/dbraw/zinc/96/47/09/491964709.db2.gz MAPCSZGFTBNOAR-CYBMUJFWSA-N 2 2 358.398 0.755 20 0 FCADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602194408 491966784 /nfs/dbraw/zinc/96/67/84/491966784.db2.gz KNNNQDWLMZZUFH-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602194408 491966785 /nfs/dbraw/zinc/96/67/85/491966785.db2.gz KNNNQDWLMZZUFH-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199291 491967077 /nfs/dbraw/zinc/96/70/77/491967077.db2.gz HPPZWYGVCRCXIP-GUYCJALGSA-N 2 2 352.504 0.337 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199291 491967080 /nfs/dbraw/zinc/96/70/80/491967080.db2.gz HPPZWYGVCRCXIP-GUYCJALGSA-N 2 2 352.504 0.337 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000595975836 491967738 /nfs/dbraw/zinc/96/77/38/491967738.db2.gz QUOLHNFKJFZKIL-UXLLHSPISA-N 2 2 356.426 0.869 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)CC1 ZINC000602202325 491967933 /nfs/dbraw/zinc/96/79/33/491967933.db2.gz YHGONPPILNYMTQ-CQSZACIVSA-N 2 2 358.442 0.916 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)C2)CC1 ZINC000602202325 491967934 /nfs/dbraw/zinc/96/79/34/491967934.db2.gz YHGONPPILNYMTQ-CQSZACIVSA-N 2 2 358.442 0.916 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000602330838 491979713 /nfs/dbraw/zinc/97/97/13/491979713.db2.gz UEMWQNJYOBMUES-KRWDZBQOSA-N 2 2 372.517 0.978 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000602330838 491979716 /nfs/dbraw/zinc/97/97/16/491979716.db2.gz UEMWQNJYOBMUES-KRWDZBQOSA-N 2 2 372.517 0.978 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCOCC(=O)OC)CC2)CC1 ZINC000602359846 491981047 /nfs/dbraw/zinc/98/10/47/491981047.db2.gz JRFZQCSWEKZPNN-UHFFFAOYSA-N 2 2 370.494 0.378 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCOCC(=O)OC)CC2)CC1 ZINC000602359846 491981048 /nfs/dbraw/zinc/98/10/48/491981048.db2.gz JRFZQCSWEKZPNN-UHFFFAOYSA-N 2 2 370.494 0.378 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000602486072 491989230 /nfs/dbraw/zinc/98/92/30/491989230.db2.gz SCMWDPATNOHJIE-PKOBYXMFSA-N 2 2 362.522 0.915 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C[C@@H]4CCOC4)nn3)C2)CC1 ZINC000602486072 491989231 /nfs/dbraw/zinc/98/92/31/491989231.db2.gz SCMWDPATNOHJIE-PKOBYXMFSA-N 2 2 362.522 0.915 20 0 FCADLP COC(=O)[C@H](O)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602795960 491998576 /nfs/dbraw/zinc/99/85/76/491998576.db2.gz ISSFPQCIVLSXRY-UYAOXDASSA-N 2 2 362.470 0.869 20 0 FCADLP COC(=O)[C@H](O)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602795960 491998578 /nfs/dbraw/zinc/99/85/78/491998578.db2.gz ISSFPQCIVLSXRY-UYAOXDASSA-N 2 2 362.470 0.869 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCN1CCCC1=O ZINC000602886538 492002922 /nfs/dbraw/zinc/00/29/22/492002922.db2.gz HHEKAWGDJVATRE-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCN1CCCC1=O ZINC000602886538 492002924 /nfs/dbraw/zinc/00/29/24/492002924.db2.gz HHEKAWGDJVATRE-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815097 492042523 /nfs/dbraw/zinc/04/25/23/492042523.db2.gz PDFWQARLCBYPON-CTNGQTDRSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000603815097 492042525 /nfs/dbraw/zinc/04/25/25/492042525.db2.gz PDFWQARLCBYPON-CTNGQTDRSA-N 2 2 373.497 0.947 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)CC1 ZINC000604188901 492053871 /nfs/dbraw/zinc/05/38/71/492053871.db2.gz ONDQFPFNWLVXAX-QGZVFWFLSA-N 2 2 373.501 0.796 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)CC1 ZINC000604188901 492053872 /nfs/dbraw/zinc/05/38/72/492053872.db2.gz ONDQFPFNWLVXAX-QGZVFWFLSA-N 2 2 373.501 0.796 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC(=O)NC(C)(C)C)C2)CC1 ZINC000604190625 492053879 /nfs/dbraw/zinc/05/38/79/492053879.db2.gz NITAEZCSBPDZOZ-CQSZACIVSA-N 2 2 353.511 0.759 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC(=O)NC(C)(C)C)C2)CC1 ZINC000604190625 492053881 /nfs/dbraw/zinc/05/38/81/492053881.db2.gz NITAEZCSBPDZOZ-CQSZACIVSA-N 2 2 353.511 0.759 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000604200051 492054582 /nfs/dbraw/zinc/05/45/82/492054582.db2.gz XGDWXLWINWUNSE-OAHLLOKOSA-N 3 2 355.552 0.503 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCSCC3)C2)CC1 ZINC000604200051 492054585 /nfs/dbraw/zinc/05/45/85/492054585.db2.gz XGDWXLWINWUNSE-OAHLLOKOSA-N 3 2 355.552 0.503 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604388472 492059802 /nfs/dbraw/zinc/05/98/02/492059802.db2.gz FAWAQOLEOBHRNC-LJQANCHMSA-N 3 2 365.566 0.687 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604388472 492059804 /nfs/dbraw/zinc/05/98/04/492059804.db2.gz FAWAQOLEOBHRNC-LJQANCHMSA-N 3 2 365.566 0.687 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000615089650 492071990 /nfs/dbraw/zinc/07/19/90/492071990.db2.gz LYDHMPRQVYOMFC-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615093973 492072721 /nfs/dbraw/zinc/07/27/21/492072721.db2.gz BGJMDYITJWKGNS-IAGOWNOFSA-N 2 2 368.547 0.043 20 0 FCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615093973 492072722 /nfs/dbraw/zinc/07/27/22/492072722.db2.gz BGJMDYITJWKGNS-IAGOWNOFSA-N 2 2 368.547 0.043 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](O)C3CCOCC3)C2)CC1 ZINC000605877359 492104337 /nfs/dbraw/zinc/10/43/37/492104337.db2.gz GMGDJBUAUHRNCP-DOTOQJQBSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](O)C3CCOCC3)C2)CC1 ZINC000605877359 492104338 /nfs/dbraw/zinc/10/43/38/492104338.db2.gz GMGDJBUAUHRNCP-DOTOQJQBSA-N 2 2 354.495 0.242 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000616106334 492117324 /nfs/dbraw/zinc/11/73/24/492117324.db2.gz WWEPBUKHTGOMSF-UHFFFAOYSA-N 2 2 355.442 0.777 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428042 492122758 /nfs/dbraw/zinc/12/27/58/492122758.db2.gz GAJQZRQDZOZBTK-INIZCTEOSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606428042 492122759 /nfs/dbraw/zinc/12/27/59/492122759.db2.gz GAJQZRQDZOZBTK-INIZCTEOSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428042 492122761 /nfs/dbraw/zinc/12/27/61/492122761.db2.gz GAJQZRQDZOZBTK-INIZCTEOSA-N 2 2 374.489 0.446 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606428042 492122763 /nfs/dbraw/zinc/12/27/63/492122763.db2.gz GAJQZRQDZOZBTK-INIZCTEOSA-N 2 2 374.489 0.446 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700703 492127311 /nfs/dbraw/zinc/12/73/11/492127311.db2.gz OXDLDLKBCXZXEO-AEFFLSMTSA-N 2 2 367.538 0.375 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000599084329 492133930 /nfs/dbraw/zinc/13/39/30/492133930.db2.gz APYUMKVKOSUKLN-GDBMZVCRSA-N 2 2 355.479 0.223 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000599084329 492133935 /nfs/dbraw/zinc/13/39/35/492133935.db2.gz APYUMKVKOSUKLN-GDBMZVCRSA-N 2 2 355.479 0.223 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC000616784022 492143569 /nfs/dbraw/zinc/14/35/69/492143569.db2.gz RGVQKHHUCSMJCN-IYBDPMFKSA-N 2 2 358.446 0.940 20 0 FCADLP COC(=O)Cc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000616850581 492146339 /nfs/dbraw/zinc/14/63/39/492146339.db2.gz NUFQBWGKNKRQJH-UHFFFAOYSA-N 2 2 363.462 0.945 20 0 FCADLP COC(=O)CCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000599298020 492156597 /nfs/dbraw/zinc/15/65/97/492156597.db2.gz OKXWZJMHGVBBGN-UHFFFAOYSA-N 2 2 363.462 0.779 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000608312830 492172183 /nfs/dbraw/zinc/17/21/83/492172183.db2.gz JGBULBUCRKJTFK-MRXNPFEDSA-N 2 2 362.478 0.821 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000608312830 492172186 /nfs/dbraw/zinc/17/21/86/492172186.db2.gz JGBULBUCRKJTFK-MRXNPFEDSA-N 2 2 362.478 0.821 20 0 FCADLP COC(=O)c1cnn(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000599446084 492174094 /nfs/dbraw/zinc/17/40/94/492174094.db2.gz ZLNALHJVYMMPOM-INIZCTEOSA-N 2 2 363.462 0.297 20 0 FCADLP COC(=O)c1cnn(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000599446084 492174096 /nfs/dbraw/zinc/17/40/96/492174096.db2.gz ZLNALHJVYMMPOM-INIZCTEOSA-N 2 2 363.462 0.297 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000617768461 492190726 /nfs/dbraw/zinc/19/07/26/492190726.db2.gz FAGNIVGRAQGMAK-UHFFFAOYSA-N 2 2 374.482 0.104 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000617768461 492190727 /nfs/dbraw/zinc/19/07/27/492190727.db2.gz FAGNIVGRAQGMAK-UHFFFAOYSA-N 2 2 374.482 0.104 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000599714700 492201915 /nfs/dbraw/zinc/20/19/15/492201915.db2.gz YYORLUKINDJIBB-BBWFWOEESA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000599714700 492201917 /nfs/dbraw/zinc/20/19/17/492201917.db2.gz YYORLUKINDJIBB-BBWFWOEESA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000599714700 492201919 /nfs/dbraw/zinc/20/19/19/492201919.db2.gz YYORLUKINDJIBB-BBWFWOEESA-N 2 2 356.426 0.955 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000599714700 492201922 /nfs/dbraw/zinc/20/19/22/492201922.db2.gz YYORLUKINDJIBB-BBWFWOEESA-N 2 2 356.426 0.955 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000611181055 492280673 /nfs/dbraw/zinc/28/06/73/492280673.db2.gz DESMXALXONBIII-UHFFFAOYSA-N 2 2 367.538 0.959 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)CC1 ZINC000633865553 492293871 /nfs/dbraw/zinc/29/38/71/492293871.db2.gz WROSDCDZCASHCV-QGZVFWFLSA-N 2 2 373.501 0.682 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)CC1 ZINC000633865553 492293876 /nfs/dbraw/zinc/29/38/76/492293876.db2.gz WROSDCDZCASHCV-QGZVFWFLSA-N 2 2 373.501 0.682 20 0 FCADLP Nc1nc(-n2cccn2)cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[nH+]1 ZINC000641719287 492298776 /nfs/dbraw/zinc/29/87/76/492298776.db2.gz OWYUPZYSBVOLQF-HNNXBMFYSA-N 2 2 372.477 0.453 20 0 FCADLP Nc1nc(-n2cccn2)cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH+]1 ZINC000641719287 492298778 /nfs/dbraw/zinc/29/87/78/492298778.db2.gz OWYUPZYSBVOLQF-HNNXBMFYSA-N 2 2 372.477 0.453 20 0 FCADLP COCCCn1nccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787653 492305013 /nfs/dbraw/zinc/30/50/13/492305013.db2.gz XFNKAKFGHVINOW-SFHVURJKSA-N 2 2 365.522 0.806 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647568102 492316550 /nfs/dbraw/zinc/31/65/50/492316550.db2.gz GUVIGYJKZBPSRQ-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568102 492316554 /nfs/dbraw/zinc/31/65/54/492316554.db2.gz GUVIGYJKZBPSRQ-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647568102 492316558 /nfs/dbraw/zinc/31/65/58/492316558.db2.gz GUVIGYJKZBPSRQ-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647568102 492316561 /nfs/dbraw/zinc/31/65/61/492316561.db2.gz GUVIGYJKZBPSRQ-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486215 492319265 /nfs/dbraw/zinc/31/92/65/492319265.db2.gz UZKSSALRUXTVNW-INIZCTEOSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486215 492319270 /nfs/dbraw/zinc/31/92/70/492319270.db2.gz UZKSSALRUXTVNW-INIZCTEOSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194911 492326477 /nfs/dbraw/zinc/32/64/77/492326477.db2.gz YUOMFMDBFVPTPJ-BLLLJJGKSA-N 2 2 361.446 0.048 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642211888 492341582 /nfs/dbraw/zinc/34/15/82/492341582.db2.gz IQZUAMKMQBUOBO-GUYCJALGSA-N 2 2 373.457 0.426 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](CCc3cnccn3)CC1)CC2 ZINC000634509163 492346921 /nfs/dbraw/zinc/34/69/21/492346921.db2.gz AFIDJTJVFJEXDZ-MRXNPFEDSA-N 2 2 354.458 0.931 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](CCc3cnccn3)CC1)CC2 ZINC000634509162 492347263 /nfs/dbraw/zinc/34/72/63/492347263.db2.gz AFIDJTJVFJEXDZ-INIZCTEOSA-N 2 2 354.458 0.931 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000642327645 492351064 /nfs/dbraw/zinc/35/10/64/492351064.db2.gz SSTILAILMHSJJL-JCGIZDLHSA-N 2 2 356.470 0.623 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000642337449 492352849 /nfs/dbraw/zinc/35/28/49/492352849.db2.gz GOUCGGZQTKMOBF-LSDHHAIUSA-N 2 2 352.479 0.086 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000642337504 492352895 /nfs/dbraw/zinc/35/28/95/492352895.db2.gz RRTJDGCCBAZQRY-IKGGRYGDSA-N 2 2 368.522 0.578 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000642337481 492353048 /nfs/dbraw/zinc/35/30/48/492353048.db2.gz NSYABMIZMCMTDZ-HRCADAONSA-N 2 2 352.479 0.004 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345404 492353313 /nfs/dbraw/zinc/35/33/13/492353313.db2.gz LMMQXECJASFYLD-HNNXBMFYSA-N 3 2 365.522 0.049 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345404 492353319 /nfs/dbraw/zinc/35/33/19/492353319.db2.gz LMMQXECJASFYLD-HNNXBMFYSA-N 3 2 365.522 0.049 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000642381259 492356386 /nfs/dbraw/zinc/35/63/86/492356386.db2.gz QSFIATKFCZCQEH-JKSUJKDBSA-N 2 2 355.442 0.836 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000654846911 492359981 /nfs/dbraw/zinc/35/99/81/492359981.db2.gz MQBRLSIIOBMNQB-HNNXBMFYSA-N 2 2 368.547 0.612 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704513 492362072 /nfs/dbraw/zinc/36/20/72/492362072.db2.gz LPOLHABPPHHMOW-QUCCMNQESA-N 2 2 369.469 0.752 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704513 492362076 /nfs/dbraw/zinc/36/20/76/492362076.db2.gz LPOLHABPPHHMOW-QUCCMNQESA-N 2 2 369.469 0.752 20 0 FCADLP O=C1[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706588 492362326 /nfs/dbraw/zinc/36/23/26/492362326.db2.gz RUOSPQROWYBARI-FPOVZHCZSA-N 2 2 373.497 0.993 20 0 FCADLP O=C1[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCOCC1 ZINC000634706588 492362330 /nfs/dbraw/zinc/36/23/30/492362330.db2.gz RUOSPQROWYBARI-FPOVZHCZSA-N 2 2 373.497 0.993 20 0 FCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000647814504 492364796 /nfs/dbraw/zinc/36/47/96/492364796.db2.gz QXJPVBRRNRYUAI-UHFFFAOYSA-N 2 2 360.458 0.780 20 0 FCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000647814504 492364801 /nfs/dbraw/zinc/36/48/01/492364801.db2.gz QXJPVBRRNRYUAI-UHFFFAOYSA-N 2 2 360.458 0.780 20 0 FCADLP C[N@@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000621260908 492366538 /nfs/dbraw/zinc/36/65/38/492366538.db2.gz WIFZWFITYFHVCM-OAHLLOKOSA-N 2 2 367.457 0.784 20 0 FCADLP C[N@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000621260908 492366543 /nfs/dbraw/zinc/36/65/43/492366543.db2.gz WIFZWFITYFHVCM-OAHLLOKOSA-N 2 2 367.457 0.784 20 0 FCADLP C[NH+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000621260908 492366545 /nfs/dbraw/zinc/36/65/45/492366545.db2.gz WIFZWFITYFHVCM-OAHLLOKOSA-N 2 2 367.457 0.784 20 0 FCADLP C[NH+](Cc1cc(=O)n2nc(N)[nH]c2n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000621260908 492366550 /nfs/dbraw/zinc/36/65/50/492366550.db2.gz WIFZWFITYFHVCM-OAHLLOKOSA-N 2 2 367.457 0.784 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000642638856 492368251 /nfs/dbraw/zinc/36/82/51/492368251.db2.gz KVVDOXPXSYGFJE-INIZCTEOSA-N 2 2 357.458 0.902 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000647829764 492369160 /nfs/dbraw/zinc/36/91/60/492369160.db2.gz VLRSFKPJYNQGIT-KBPBESRZSA-N 2 2 368.503 0.981 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000647829764 492369163 /nfs/dbraw/zinc/36/91/63/492369163.db2.gz VLRSFKPJYNQGIT-KBPBESRZSA-N 2 2 368.503 0.981 20 0 FCADLP COc1cc(OC)cc(C(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000647874834 492375553 /nfs/dbraw/zinc/37/55/53/492375553.db2.gz BYFAQGDGZOTDCW-UHFFFAOYSA-N 2 2 362.474 0.367 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@H]1[NH3+] ZINC000647938534 492385424 /nfs/dbraw/zinc/38/54/24/492385424.db2.gz OZXFSTFBFBJXJT-HUUCEWRRSA-N 2 2 362.474 0.963 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@H]1[NH3+] ZINC000647938534 492385426 /nfs/dbraw/zinc/38/54/26/492385426.db2.gz OZXFSTFBFBJXJT-HUUCEWRRSA-N 2 2 362.474 0.963 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000654996419 492390487 /nfs/dbraw/zinc/39/04/87/492390487.db2.gz FZSLZFJPIKQHEO-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000654996419 492390490 /nfs/dbraw/zinc/39/04/90/492390490.db2.gz FZSLZFJPIKQHEO-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000654996419 492390492 /nfs/dbraw/zinc/39/04/92/492390492.db2.gz FZSLZFJPIKQHEO-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000654996419 492390495 /nfs/dbraw/zinc/39/04/95/492390495.db2.gz FZSLZFJPIKQHEO-FGTMMUONSA-N 2 2 369.554 0.355 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642913612 492403352 /nfs/dbraw/zinc/40/33/52/492403352.db2.gz DARYYZVIIFONHL-UHFFFAOYSA-N 2 2 372.391 0.685 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642940944 492405461 /nfs/dbraw/zinc/40/54/61/492405461.db2.gz NBAVKLZZMUAVIG-WBVHZDCISA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642940944 492405464 /nfs/dbraw/zinc/40/54/64/492405464.db2.gz NBAVKLZZMUAVIG-WBVHZDCISA-N 3 2 367.538 0.103 20 0 FCADLP CCC[C@@](C)([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648152488 492409039 /nfs/dbraw/zinc/40/90/39/492409039.db2.gz OOTKMYOSZTZGLN-LJQANCHMSA-N 3 2 367.538 0.201 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C2 ZINC000621781868 492411937 /nfs/dbraw/zinc/41/19/37/492411937.db2.gz JMTMBPYBEQYGPC-CTNGQTDRSA-N 2 2 372.513 0.948 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000621838998 492422202 /nfs/dbraw/zinc/42/22/02/492422202.db2.gz MEVPEYPPVAYUAU-KSSFIOAISA-N 2 2 362.499 0.562 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000621838998 492422205 /nfs/dbraw/zinc/42/22/05/492422205.db2.gz MEVPEYPPVAYUAU-KSSFIOAISA-N 2 2 362.499 0.562 20 0 FCADLP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000655447711 492444177 /nfs/dbraw/zinc/44/41/77/492444177.db2.gz CZYXTMJILMJMPF-HFSMHLIXSA-N 2 2 373.497 0.960 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000635412686 492445038 /nfs/dbraw/zinc/44/50/38/492445038.db2.gz UJKPWTDGIDRVOX-SFHVURJKSA-N 2 2 371.547 0.669 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCO2)CC1 ZINC000635512316 492462888 /nfs/dbraw/zinc/46/28/88/492462888.db2.gz KAAZJRBNJGMOIH-KRWDZBQOSA-N 2 2 350.507 0.337 20 0 FCADLP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000643454641 492467174 /nfs/dbraw/zinc/46/71/74/492467174.db2.gz YYUPPZAITRZGBO-IRXDYDNUSA-N 2 2 353.488 0.592 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635544697 492467663 /nfs/dbraw/zinc/46/76/63/492467663.db2.gz UNPCTEKWAXYZKY-UHFFFAOYSA-N 2 2 371.441 0.860 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000643476976 492474049 /nfs/dbraw/zinc/47/40/49/492474049.db2.gz KVORILUBMHBNFS-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC000643478495 492474496 /nfs/dbraw/zinc/47/44/96/492474496.db2.gz ZKXLBASMPMGWQI-FXAWDEMLSA-N 2 2 356.470 0.714 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[C@H](c2ccccc2)C1 ZINC000643478495 492474498 /nfs/dbraw/zinc/47/44/98/492474498.db2.gz ZKXLBASMPMGWQI-FXAWDEMLSA-N 2 2 356.470 0.714 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000643478365 492474629 /nfs/dbraw/zinc/47/46/29/492474629.db2.gz MFMKTJBLBJDHPQ-RYQLBKOJSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000643478365 492474630 /nfs/dbraw/zinc/47/46/30/492474630.db2.gz MFMKTJBLBJDHPQ-RYQLBKOJSA-N 2 2 356.470 0.712 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[NH2+][C@@H](C(C)C)C2)[C@H]1c1[nH+]ccn1C ZINC000628170037 492476011 /nfs/dbraw/zinc/47/60/11/492476011.db2.gz OWXLXUWZWJUUFF-KBMXLJTQSA-N 2 2 363.462 0.165 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]1 ZINC000643479727 492476546 /nfs/dbraw/zinc/47/65/46/492476546.db2.gz RBLZXBAWISKJPP-MRXNPFEDSA-N 2 2 364.515 0.849 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC000635578455 492476769 /nfs/dbraw/zinc/47/67/69/492476769.db2.gz XPFSHQXCPJESEB-QGZVFWFLSA-N 2 2 361.486 0.912 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000655709972 492477302 /nfs/dbraw/zinc/47/73/02/492477302.db2.gz QWGDDDNMYKLQRG-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709972 492477307 /nfs/dbraw/zinc/47/73/07/492477307.db2.gz QWGDDDNMYKLQRG-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000655709972 492477313 /nfs/dbraw/zinc/47/73/13/492477313.db2.gz QWGDDDNMYKLQRG-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709972 492477316 /nfs/dbraw/zinc/47/73/16/492477316.db2.gz QWGDDDNMYKLQRG-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643510026 492485832 /nfs/dbraw/zinc/48/58/32/492485832.db2.gz ZXCKADMVZCODRF-UHFFFAOYSA-N 2 2 374.485 0.679 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC[NH2+]1 ZINC000643516441 492487607 /nfs/dbraw/zinc/48/76/07/492487607.db2.gz CQAQVMBYJQFYMT-SJLPKXTDSA-N 2 2 373.501 0.743 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC[C@@H]1[NH3+] ZINC000643524411 492490339 /nfs/dbraw/zinc/49/03/39/492490339.db2.gz WWVBSZWPXYZQRM-HOTGVXAUSA-N 2 2 354.495 0.141 20 0 FCADLP NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)cc1 ZINC000649209835 492511201 /nfs/dbraw/zinc/51/12/01/492511201.db2.gz WLOSWKPYAPGTJT-QGZVFWFLSA-N 2 2 367.453 0.889 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649277517 492517895 /nfs/dbraw/zinc/51/78/95/492517895.db2.gz BVIQDHQCUKMTPB-DLBZAZTESA-N 2 2 370.457 0.443 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649277517 492517896 /nfs/dbraw/zinc/51/78/96/492517896.db2.gz BVIQDHQCUKMTPB-DLBZAZTESA-N 2 2 370.457 0.443 20 0 FCADLP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000623176014 492523388 /nfs/dbraw/zinc/52/33/88/492523388.db2.gz ZOLLJHWEWSNJSX-GFCCVEGCSA-N 2 2 363.443 0.321 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649293757 492525002 /nfs/dbraw/zinc/52/50/02/492525002.db2.gz IHLQAANQQNSSAH-HUUCEWRRSA-N 2 2 372.460 0.776 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1)c1ccccc1F ZINC000649324130 492533059 /nfs/dbraw/zinc/53/30/59/492533059.db2.gz XUGINVPALAFHAD-QLPKVWCKSA-N 2 2 360.433 0.165 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000656075649 492536632 /nfs/dbraw/zinc/53/66/32/492536632.db2.gz QPDFIAUNIPJBCG-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075649 492536634 /nfs/dbraw/zinc/53/66/34/492536634.db2.gz QPDFIAUNIPJBCG-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075649 492536638 /nfs/dbraw/zinc/53/66/38/492536638.db2.gz QPDFIAUNIPJBCG-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075649 492536640 /nfs/dbraw/zinc/53/66/40/492536640.db2.gz QPDFIAUNIPJBCG-MWDXBVQZSA-N 2 2 368.522 0.399 20 0 FCADLP [NH3+][C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(Cl)c1 ZINC000649330600 492536725 /nfs/dbraw/zinc/53/67/25/492536725.db2.gz LDZWIBZSXWMFJP-INIZCTEOSA-N 2 2 363.849 1.507 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334017 492537312 /nfs/dbraw/zinc/53/73/12/492537312.db2.gz BUJJQWRNZYLUPU-MRXNPFEDSA-N 3 2 360.506 0.247 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(n4cccn4)CC[NH2+]CC3)C2)CC1 ZINC000649334017 492537315 /nfs/dbraw/zinc/53/73/15/492537315.db2.gz BUJJQWRNZYLUPU-MRXNPFEDSA-N 3 2 360.506 0.247 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000649335605 492537704 /nfs/dbraw/zinc/53/77/04/492537704.db2.gz NIOZSRHEQUJHCF-OALUTQOASA-N 2 2 358.486 0.224 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000649335605 492537708 /nfs/dbraw/zinc/53/77/08/492537708.db2.gz NIOZSRHEQUJHCF-OALUTQOASA-N 2 2 358.486 0.224 20 0 FCADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414518 492552894 /nfs/dbraw/zinc/55/28/94/492552894.db2.gz DZJZTEILXBCSBO-HXUWFJFHSA-N 3 2 372.561 0.821 20 0 FCADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)CC2)nc1 ZINC000649414518 492552895 /nfs/dbraw/zinc/55/28/95/492552895.db2.gz DZJZTEILXBCSBO-HXUWFJFHSA-N 3 2 372.561 0.821 20 0 FCADLP CC[N@H+](C)C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151754 492557965 /nfs/dbraw/zinc/55/79/65/492557965.db2.gz GMDAXEKZTNIZCI-IRXDYDNUSA-N 2 2 360.462 0.559 20 0 FCADLP CC[N@@H+](C)C[C@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151754 492557970 /nfs/dbraw/zinc/55/79/70/492557970.db2.gz GMDAXEKZTNIZCI-IRXDYDNUSA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151754 492557974 /nfs/dbraw/zinc/55/79/74/492557974.db2.gz GMDAXEKZTNIZCI-IRXDYDNUSA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151754 492557978 /nfs/dbraw/zinc/55/79/78/492557978.db2.gz GMDAXEKZTNIZCI-IRXDYDNUSA-N 2 2 360.462 0.559 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000643787172 492558890 /nfs/dbraw/zinc/55/88/90/492558890.db2.gz PIOQSLWYWKZPHM-QGZVFWFLSA-N 2 2 360.458 0.525 20 0 FCADLP CCN1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185476 492562962 /nfs/dbraw/zinc/56/29/62/492562962.db2.gz HTKHSBXGXJAKIY-ZBFHGGJFSA-N 2 2 351.495 0.417 20 0 FCADLP CCN1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000656185476 492562965 /nfs/dbraw/zinc/56/29/65/492562965.db2.gz HTKHSBXGXJAKIY-ZBFHGGJFSA-N 2 2 351.495 0.417 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCS(=O)(=O)[C@@H]3C)CC2)CC1 ZINC000628938410 492567673 /nfs/dbraw/zinc/56/76/73/492567673.db2.gz BKPPMFKQDYUXJV-RHSMWYFYSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H](C)[NH+]1CCOCC1 ZINC000656310949 492584881 /nfs/dbraw/zinc/58/48/81/492584881.db2.gz GZQMVPCFURZJFV-MWDXBVQZSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H](C)[NH+]1CCOCC1 ZINC000656310949 492584885 /nfs/dbraw/zinc/58/48/85/492584885.db2.gz GZQMVPCFURZJFV-MWDXBVQZSA-N 2 2 366.506 0.345 20 0 FCADLP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650002375 492605288 /nfs/dbraw/zinc/60/52/88/492605288.db2.gz IMMLFJYNNMLSKR-LJQANCHMSA-N 2 2 374.485 0.844 20 0 FCADLP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650002375 492605291 /nfs/dbraw/zinc/60/52/91/492605291.db2.gz IMMLFJYNNMLSKR-LJQANCHMSA-N 2 2 374.485 0.844 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000650005801 492605344 /nfs/dbraw/zinc/60/53/44/492605344.db2.gz JQXHWYKIIPUHGE-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC000650005801 492605349 /nfs/dbraw/zinc/60/53/49/492605349.db2.gz JQXHWYKIIPUHGE-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP Nc1nc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc(N)[nH+]1 ZINC000623953454 492608123 /nfs/dbraw/zinc/60/81/23/492608123.db2.gz DFPPFIXDLQFYQR-UHFFFAOYSA-N 2 2 362.869 0.396 20 0 FCADLP Nc1nc(N)[nH+]c(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000623953454 492608126 /nfs/dbraw/zinc/60/81/26/492608126.db2.gz DFPPFIXDLQFYQR-UHFFFAOYSA-N 2 2 362.869 0.396 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656354775 492610948 /nfs/dbraw/zinc/61/09/48/492610948.db2.gz HDSIDLDTPFAXHI-OAGGEKHMSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656354775 492610951 /nfs/dbraw/zinc/61/09/51/492610951.db2.gz HDSIDLDTPFAXHI-OAGGEKHMSA-N 2 2 359.474 0.869 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000636558092 492622430 /nfs/dbraw/zinc/62/24/30/492622430.db2.gz KAIDEXIKQYKGBG-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000636558092 492622432 /nfs/dbraw/zinc/62/24/32/492622432.db2.gz KAIDEXIKQYKGBG-ZJPYXAASSA-N 2 2 368.522 0.990 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636580353 492627292 /nfs/dbraw/zinc/62/72/92/492627292.db2.gz CYZMZNQRZIXGMU-KXBFYZLASA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000636580353 492627295 /nfs/dbraw/zinc/62/72/95/492627295.db2.gz CYZMZNQRZIXGMU-KXBFYZLASA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636580353 492627299 /nfs/dbraw/zinc/62/72/99/492627299.db2.gz CYZMZNQRZIXGMU-KXBFYZLASA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636580353 492627303 /nfs/dbraw/zinc/62/73/03/492627303.db2.gz CYZMZNQRZIXGMU-KXBFYZLASA-N 2 2 366.506 0.386 20 0 FCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357201 492640904 /nfs/dbraw/zinc/64/09/04/492640904.db2.gz JRGJPHTUKPNOEP-GOSISDBHSA-N 2 2 361.490 0.923 20 0 FCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357201 492640907 /nfs/dbraw/zinc/64/09/07/492640907.db2.gz JRGJPHTUKPNOEP-GOSISDBHSA-N 2 2 361.490 0.923 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700761 492643327 /nfs/dbraw/zinc/64/33/27/492643327.db2.gz ZQCYCOSOMWCEJV-MSOLQXFVSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656700761 492643331 /nfs/dbraw/zinc/64/33/31/492643331.db2.gz ZQCYCOSOMWCEJV-MSOLQXFVSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656700761 492643334 /nfs/dbraw/zinc/64/33/34/492643334.db2.gz ZQCYCOSOMWCEJV-MSOLQXFVSA-N 2 2 374.489 0.948 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656700761 492643337 /nfs/dbraw/zinc/64/33/37/492643337.db2.gz ZQCYCOSOMWCEJV-MSOLQXFVSA-N 2 2 374.489 0.948 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000656698385 492643636 /nfs/dbraw/zinc/64/36/36/492643636.db2.gz YFCRNXYTLHLOQS-MAUKXSAKSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000656698385 492643639 /nfs/dbraw/zinc/64/36/39/492643639.db2.gz YFCRNXYTLHLOQS-MAUKXSAKSA-N 2 2 359.474 0.817 20 0 FCADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)c1 ZINC000629564505 492645472 /nfs/dbraw/zinc/64/54/72/492645472.db2.gz LQCXJODZYDJIRZ-MAUKXSAKSA-N 2 2 363.458 0.855 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)n1 ZINC000629653512 492661426 /nfs/dbraw/zinc/66/14/26/492661426.db2.gz PAEFKYAFBJPTAN-UHFFFAOYSA-N 2 2 371.441 0.836 20 0 FCADLP CC[NH+]1CCC(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636709477 492667548 /nfs/dbraw/zinc/66/75/48/492667548.db2.gz ACZIYRJVQFENJU-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP CC[NH+]1CCC(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636709477 492667551 /nfs/dbraw/zinc/66/75/51/492667551.db2.gz ACZIYRJVQFENJU-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC(CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636727766 492673066 /nfs/dbraw/zinc/67/30/66/492673066.db2.gz SUSDYTKSXGKKAV-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC(CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636727766 492673069 /nfs/dbraw/zinc/67/30/69/492673069.db2.gz SUSDYTKSXGKKAV-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000644230888 492674935 /nfs/dbraw/zinc/67/49/35/492674935.db2.gz IZKYETYMBYQIOY-SCTDSRPQSA-N 2 2 374.485 0.631 20 0 FCADLP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000644230888 492674940 /nfs/dbraw/zinc/67/49/40/492674940.db2.gz IZKYETYMBYQIOY-SCTDSRPQSA-N 2 2 374.485 0.631 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000629805501 492681520 /nfs/dbraw/zinc/68/15/20/492681520.db2.gz RMOZTHCUOKLOJB-SFHVURJKSA-N 2 2 358.486 0.787 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000629805501 492681522 /nfs/dbraw/zinc/68/15/22/492681522.db2.gz RMOZTHCUOKLOJB-SFHVURJKSA-N 2 2 358.486 0.787 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000650895810 492682500 /nfs/dbraw/zinc/68/25/00/492682500.db2.gz GZFMERFAUUFESY-QGZVFWFLSA-N 2 2 354.495 0.461 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000650895810 492682502 /nfs/dbraw/zinc/68/25/02/492682502.db2.gz GZFMERFAUUFESY-QGZVFWFLSA-N 2 2 354.495 0.461 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N2CC[NH+](CCOCCOC)CC2)CC1 ZINC000650927708 492684274 /nfs/dbraw/zinc/68/42/74/492684274.db2.gz PQOGAYXCMWVIOD-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636819033 492702797 /nfs/dbraw/zinc/70/27/97/492702797.db2.gz SWPJNRQFAOOHPF-VQIMIIECSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000636819033 492702799 /nfs/dbraw/zinc/70/27/99/492702799.db2.gz SWPJNRQFAOOHPF-VQIMIIECSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000636819033 492702803 /nfs/dbraw/zinc/70/28/03/492702803.db2.gz SWPJNRQFAOOHPF-VQIMIIECSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000636819033 492702805 /nfs/dbraw/zinc/70/28/05/492702805.db2.gz SWPJNRQFAOOHPF-VQIMIIECSA-N 2 2 366.506 0.386 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651097850 492707839 /nfs/dbraw/zinc/70/78/39/492707839.db2.gz YWWMMACKWBLRIK-KRWDZBQOSA-N 2 2 356.511 0.851 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000651152241 492714973 /nfs/dbraw/zinc/71/49/73/492714973.db2.gz BSCLYZGATJAGMQ-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000651152241 492714976 /nfs/dbraw/zinc/71/49/76/492714976.db2.gz BSCLYZGATJAGMQ-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000651164432 492716587 /nfs/dbraw/zinc/71/65/87/492716587.db2.gz UULSMPFMWSCPMZ-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C[N@H+]1C1CC1 ZINC000636907290 492725542 /nfs/dbraw/zinc/72/55/42/492725542.db2.gz MZFDEWLGCCGCTP-CLCXKQKWSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C[NH+]1C1CC1 ZINC000636907290 492725544 /nfs/dbraw/zinc/72/55/44/492725544.db2.gz MZFDEWLGCCGCTP-CLCXKQKWSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C[NH+]1C1CC1 ZINC000636907290 492725546 /nfs/dbraw/zinc/72/55/46/492725546.db2.gz MZFDEWLGCCGCTP-CLCXKQKWSA-N 2 2 366.506 0.527 20 0 FCADLP Cc1nnnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000651322140 492742604 /nfs/dbraw/zinc/74/26/04/492742604.db2.gz FPNQWCJQEAZJMG-MRXNPFEDSA-N 2 2 369.473 0.869 20 0 FCADLP Cc1nnnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000651322140 492742606 /nfs/dbraw/zinc/74/26/06/492742606.db2.gz FPNQWCJQEAZJMG-MRXNPFEDSA-N 2 2 369.473 0.869 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644480217 492769409 /nfs/dbraw/zinc/76/94/09/492769409.db2.gz LLMCOJHHGOEWLC-XHSDSOJGSA-N 2 2 352.479 0.138 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644480217 492769413 /nfs/dbraw/zinc/76/94/13/492769413.db2.gz LLMCOJHHGOEWLC-XHSDSOJGSA-N 2 2 352.479 0.138 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000644513165 492780182 /nfs/dbraw/zinc/78/01/82/492780182.db2.gz SWSINQOYKSYGOX-AWEZNQCLSA-N 2 2 369.512 0.978 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000644513165 492780184 /nfs/dbraw/zinc/78/01/84/492780184.db2.gz SWSINQOYKSYGOX-AWEZNQCLSA-N 2 2 369.512 0.978 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644556245 492784446 /nfs/dbraw/zinc/78/44/46/492784446.db2.gz AAIGHCRQEZCNIG-IRXDYDNUSA-N 2 2 358.442 0.938 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556245 492784450 /nfs/dbraw/zinc/78/44/50/492784450.db2.gz AAIGHCRQEZCNIG-IRXDYDNUSA-N 2 2 358.442 0.938 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644556240 492784854 /nfs/dbraw/zinc/78/48/54/492784854.db2.gz AAIGHCRQEZCNIG-DLBZAZTESA-N 2 2 358.442 0.938 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556240 492784860 /nfs/dbraw/zinc/78/48/60/492784860.db2.gz AAIGHCRQEZCNIG-DLBZAZTESA-N 2 2 358.442 0.938 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000644569740 492785372 /nfs/dbraw/zinc/78/53/72/492785372.db2.gz SYCYXVUJVFVCHO-MOPGFXCFSA-N 2 2 351.466 0.725 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000644569747 492785716 /nfs/dbraw/zinc/78/57/16/492785716.db2.gz UDGTXWXQTOZOKZ-RTBURBONSA-N 2 2 363.502 0.731 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000644582001 492788075 /nfs/dbraw/zinc/78/80/75/492788075.db2.gz QHOOIJCNSBZIHN-MOPGFXCFSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000644582001 492788076 /nfs/dbraw/zinc/78/80/76/492788076.db2.gz QHOOIJCNSBZIHN-MOPGFXCFSA-N 2 2 361.486 0.849 20 0 FCADLP CCOC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000630941109 492788651 /nfs/dbraw/zinc/78/86/51/492788651.db2.gz AFUJBQXQYMUYFN-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CS(=O)(=O)CCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631065485 492796101 /nfs/dbraw/zinc/79/61/01/492796101.db2.gz ZKLPEIMGQSNOIR-UHFFFAOYSA-N 2 2 356.488 0.922 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000631601115 492825253 /nfs/dbraw/zinc/82/52/53/492825253.db2.gz ZCWVWOSMIRMYBP-CAMMJAKZSA-N 2 2 363.502 0.857 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3CCCO)cc2[nH+]1 ZINC000657983688 492826100 /nfs/dbraw/zinc/82/61/00/492826100.db2.gz YXRPCCFXTVLLKO-OAHLLOKOSA-N 2 2 359.430 0.544 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3CCCO)cc2[nH+]1 ZINC000657983688 492826103 /nfs/dbraw/zinc/82/61/03/492826103.db2.gz YXRPCCFXTVLLKO-OAHLLOKOSA-N 2 2 359.430 0.544 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000631758492 492847274 /nfs/dbraw/zinc/84/72/74/492847274.db2.gz BHUYQXYGJBINJB-UHFFFAOYSA-N 2 2 367.519 0.347 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828460 492858861 /nfs/dbraw/zinc/85/88/61/492858861.db2.gz PJOUUXUAXIOHCR-LSDHHAIUSA-N 2 2 358.446 0.240 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828460 492858865 /nfs/dbraw/zinc/85/88/65/492858865.db2.gz PJOUUXUAXIOHCR-LSDHHAIUSA-N 2 2 358.446 0.240 20 0 FCADLP Cc1nocc1S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000631852544 492863333 /nfs/dbraw/zinc/86/33/33/492863333.db2.gz UYZDDEYVYAFWGQ-UHFFFAOYSA-N 2 2 365.459 0.869 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000631944410 492894157 /nfs/dbraw/zinc/89/41/57/492894157.db2.gz XDTPDOPKLVYKLH-GOSISDBHSA-N 2 2 366.531 0.600 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000658447415 492896914 /nfs/dbraw/zinc/89/69/14/492896914.db2.gz OWTZCYALXQTFRJ-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000658447415 492896919 /nfs/dbraw/zinc/89/69/19/492896919.db2.gz OWTZCYALXQTFRJ-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP COC(C)(C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000645393456 492901864 /nfs/dbraw/zinc/90/18/64/492901864.db2.gz AWALVICJVSMNMI-HNNXBMFYSA-N 2 2 370.519 0.937 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652277128 492903418 /nfs/dbraw/zinc/90/34/18/492903418.db2.gz VWZXMPPVJXEFQR-OAHLLOKOSA-N 2 2 354.426 0.119 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000638137976 492915520 /nfs/dbraw/zinc/91/55/20/492915520.db2.gz RWFHXNZOYYTXGE-HKUYNNGSSA-N 2 2 364.465 0.831 20 0 FCADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658504147 492917203 /nfs/dbraw/zinc/91/72/03/492917203.db2.gz KTTSOGUVUDVKKU-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000652391762 492921924 /nfs/dbraw/zinc/92/19/24/492921924.db2.gz KPFQMLFSIYCBEA-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000638279411 492928651 /nfs/dbraw/zinc/92/86/51/492928651.db2.gz MSHCTNNXAJALIP-HUUCEWRRSA-N 2 2 362.478 0.396 20 0 FCADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638279411 492928654 /nfs/dbraw/zinc/92/86/54/492928654.db2.gz MSHCTNNXAJALIP-HUUCEWRRSA-N 2 2 362.478 0.396 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)c3cnc(C[NH3+])nc3)CC2)c1 ZINC000638291940 492930365 /nfs/dbraw/zinc/93/03/65/492930365.db2.gz CICSZBUCEQLFKV-UHFFFAOYSA-N 2 2 371.441 0.781 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000632106095 492930566 /nfs/dbraw/zinc/93/05/66/492930566.db2.gz FUFZLTAPWJYNIV-UHFFFAOYSA-N 2 2 351.476 0.391 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652528343 492963179 /nfs/dbraw/zinc/96/31/79/492963179.db2.gz SKYXHFBQIVUHNT-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652528343 492963180 /nfs/dbraw/zinc/96/31/80/492963180.db2.gz SKYXHFBQIVUHNT-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000652560042 492969862 /nfs/dbraw/zinc/96/98/62/492969862.db2.gz PFKUIAJIHHLGJE-OAHLLOKOSA-N 2 2 350.467 0.195 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000652560042 492969865 /nfs/dbraw/zinc/96/98/65/492969865.db2.gz PFKUIAJIHHLGJE-OAHLLOKOSA-N 2 2 350.467 0.195 20 0 FCADLP COc1cc(C[C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000638871547 492983823 /nfs/dbraw/zinc/98/38/23/492983823.db2.gz MIRDXISTADXDIM-NVXWUHKLSA-N 2 2 362.474 0.544 20 0 FCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000658623011 492984712 /nfs/dbraw/zinc/98/47/12/492984712.db2.gz VNLHCDUONMLWHW-UHFFFAOYSA-N 2 2 370.538 0.744 20 0 FCADLP CN(CCOC(C)(C)C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000658623011 492984717 /nfs/dbraw/zinc/98/47/17/492984717.db2.gz VNLHCDUONMLWHW-UHFFFAOYSA-N 2 2 370.538 0.744 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC000645941217 492990999 /nfs/dbraw/zinc/99/09/99/492990999.db2.gz URKRLEBMAWGTRW-FGTMMUONSA-N 2 2 350.507 0.097 20 0 FCADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003801 492991305 /nfs/dbraw/zinc/99/13/05/492991305.db2.gz JVZUVEBMLGTYPZ-SFHVURJKSA-N 2 2 369.473 0.598 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658652920 492992611 /nfs/dbraw/zinc/99/26/11/492992611.db2.gz TTZVAYHEZXGUOW-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000632424205 492995357 /nfs/dbraw/zinc/99/53/57/492995357.db2.gz GRLHNKIBIZVUDT-UHFFFAOYSA-N 2 2 350.463 0.689 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000632424205 492995359 /nfs/dbraw/zinc/99/53/59/492995359.db2.gz GRLHNKIBIZVUDT-UHFFFAOYSA-N 2 2 350.463 0.689 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652704173 492995685 /nfs/dbraw/zinc/99/56/85/492995685.db2.gz HAQHBXCAIHYJOT-RCCFBDPRSA-N 2 2 358.486 0.615 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652704173 492995688 /nfs/dbraw/zinc/99/56/88/492995688.db2.gz HAQHBXCAIHYJOT-RCCFBDPRSA-N 2 2 358.486 0.615 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652704852 492995893 /nfs/dbraw/zinc/99/58/93/492995893.db2.gz UZVWJGNZVGAGBF-IBGZPJMESA-N 2 2 370.497 0.798 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652704852 492995897 /nfs/dbraw/zinc/99/58/97/492995897.db2.gz UZVWJGNZVGAGBF-IBGZPJMESA-N 2 2 370.497 0.798 20 0 FCADLP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000645981725 492996174 /nfs/dbraw/zinc/99/61/74/492996174.db2.gz UBGGSWGGQHHSHG-JKSUJKDBSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000645981725 492996178 /nfs/dbraw/zinc/99/61/78/492996178.db2.gz UBGGSWGGQHHSHG-JKSUJKDBSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646033903 493003654 /nfs/dbraw/zinc/00/36/54/493003654.db2.gz UXKSSDURLRHQEB-HNNXBMFYSA-N 2 2 365.441 1.420 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000639293081 493005287 /nfs/dbraw/zinc/00/52/87/493005287.db2.gz DDENAYILZSIRIG-IAGOWNOFSA-N 2 2 354.458 0.777 20 0 FCADLP Nc1nc(N)c(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000639293081 493005290 /nfs/dbraw/zinc/00/52/90/493005290.db2.gz DDENAYILZSIRIG-IAGOWNOFSA-N 2 2 354.458 0.777 20 0 FCADLP CS(=O)(=O)N1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639440921 493010054 /nfs/dbraw/zinc/01/00/54/493010054.db2.gz RQTNYKWNTDVYJR-SFHVURJKSA-N 2 2 367.515 0.591 20 0 FCADLP CS(=O)(=O)N1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639440921 493010056 /nfs/dbraw/zinc/01/00/56/493010056.db2.gz RQTNYKWNTDVYJR-SFHVURJKSA-N 2 2 367.515 0.591 20 0 FCADLP CS(=O)(=O)N1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639440921 493010063 /nfs/dbraw/zinc/01/00/63/493010063.db2.gz RQTNYKWNTDVYJR-SFHVURJKSA-N 2 2 367.515 0.591 20 0 FCADLP [NH3+]Cc1nnnn1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000646077544 493010786 /nfs/dbraw/zinc/01/07/86/493010786.db2.gz UIGMWRJBOBIMGK-CQSZACIVSA-N 2 2 363.853 0.739 20 0 FCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500977 493014771 /nfs/dbraw/zinc/01/47/71/493014771.db2.gz RQFUUBZETVCDOZ-MRXNPFEDSA-N 2 2 374.551 0.333 20 0 FCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500977 493014773 /nfs/dbraw/zinc/01/47/73/493014773.db2.gz RQFUUBZETVCDOZ-MRXNPFEDSA-N 2 2 374.551 0.333 20 0 FCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500977 493014775 /nfs/dbraw/zinc/01/47/75/493014775.db2.gz RQFUUBZETVCDOZ-MRXNPFEDSA-N 2 2 374.551 0.333 20 0 FCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500977 493014777 /nfs/dbraw/zinc/01/47/77/493014777.db2.gz RQFUUBZETVCDOZ-MRXNPFEDSA-N 2 2 374.551 0.333 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658701890 493016464 /nfs/dbraw/zinc/01/64/64/493016464.db2.gz XFJCZYCZMIMQCD-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658701890 493016466 /nfs/dbraw/zinc/01/64/66/493016466.db2.gz XFJCZYCZMIMQCD-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537187 493017388 /nfs/dbraw/zinc/01/73/88/493017388.db2.gz XRTHWABWCTYZPR-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537187 493017393 /nfs/dbraw/zinc/01/73/93/493017393.db2.gz XRTHWABWCTYZPR-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639537187 493017396 /nfs/dbraw/zinc/01/73/96/493017396.db2.gz XRTHWABWCTYZPR-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@H]1CCC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639537187 493017399 /nfs/dbraw/zinc/01/73/99/493017399.db2.gz XRTHWABWCTYZPR-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCOC ZINC000632604913 493045001 /nfs/dbraw/zinc/04/50/01/493045001.db2.gz AWTMQEXMPVVMQL-AWEZNQCLSA-N 2 2 351.451 0.327 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC[N@H+]1CCOC ZINC000632604913 493045003 /nfs/dbraw/zinc/04/50/03/493045003.db2.gz AWTMQEXMPVVMQL-AWEZNQCLSA-N 2 2 351.451 0.327 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646457767 493051845 /nfs/dbraw/zinc/05/18/45/493051845.db2.gz DMITVUURYAHZJD-LMMKCTJWSA-N 2 2 366.550 0.826 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000646457767 493051847 /nfs/dbraw/zinc/05/18/47/493051847.db2.gz DMITVUURYAHZJD-LMMKCTJWSA-N 2 2 366.550 0.826 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000652988689 493053381 /nfs/dbraw/zinc/05/33/81/493053381.db2.gz FFXJVXVYXWGKOZ-KRWDZBQOSA-N 2 2 366.506 0.111 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639850018 493056223 /nfs/dbraw/zinc/05/62/23/493056223.db2.gz AMSIWQFYOZPJIO-AZUAARDMSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639850018 493056224 /nfs/dbraw/zinc/05/62/24/493056224.db2.gz AMSIWQFYOZPJIO-AZUAARDMSA-N 2 2 361.486 0.457 20 0 FCADLP CC[C@@]1(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)CCC(=O)NC1=O ZINC000653065093 493065492 /nfs/dbraw/zinc/06/54/92/493065492.db2.gz SSCHFMDHOPPJMX-KXBFYZLASA-N 2 2 360.458 0.989 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000653081856 493067712 /nfs/dbraw/zinc/06/77/12/493067712.db2.gz AVMLNQKHDKJAJL-GJZGRUSLSA-N 2 2 351.426 0.827 20 0 FCADLP CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653080904 493067885 /nfs/dbraw/zinc/06/78/85/493067885.db2.gz YBJIOVLVMPKWPX-MRXNPFEDSA-N 2 2 370.519 0.410 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000653107513 493070996 /nfs/dbraw/zinc/07/09/96/493070996.db2.gz MXGZVIKEURJSOR-INIZCTEOSA-N 2 2 363.462 0.175 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626971967 493072160 /nfs/dbraw/zinc/07/21/60/493072160.db2.gz CUNBMSXETSKIQY-MGPQQGTHSA-N 2 2 365.444 0.791 20 0 FCADLP C[NH+](C)CC[C@H](N)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000653124582 493075057 /nfs/dbraw/zinc/07/50/57/493075057.db2.gz AVPMPDGBTHUAQO-KRWDZBQOSA-N 2 2 351.470 0.343 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000653124582 493075062 /nfs/dbraw/zinc/07/50/62/493075062.db2.gz AVPMPDGBTHUAQO-KRWDZBQOSA-N 3 2 351.470 0.343 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COCc1ccccc1F ZINC000640049256 493079825 /nfs/dbraw/zinc/07/98/25/493079825.db2.gz KUDUETDITGLEAW-MRXNPFEDSA-N 2 2 353.438 0.409 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COCc1ccccc1F ZINC000640049256 493079828 /nfs/dbraw/zinc/07/98/28/493079828.db2.gz KUDUETDITGLEAW-MRXNPFEDSA-N 2 2 353.438 0.409 20 0 FCADLP C[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)N1CC[NH+](C)CC1 ZINC000640059655 493081490 /nfs/dbraw/zinc/08/14/90/493081490.db2.gz VFCADQRZIPRSPA-UHFFFAOYSA-N 2 2 362.430 0.450 20 0 FCADLP C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)N1CC[NH+](C)CC1 ZINC000640059655 493081492 /nfs/dbraw/zinc/08/14/92/493081492.db2.gz VFCADQRZIPRSPA-UHFFFAOYSA-N 2 2 362.430 0.450 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653184650 493081621 /nfs/dbraw/zinc/08/16/21/493081621.db2.gz RQLUECIQWQEBOP-HRCADAONSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653184650 493081625 /nfs/dbraw/zinc/08/16/25/493081625.db2.gz RQLUECIQWQEBOP-HRCADAONSA-N 2 2 354.495 0.188 20 0 FCADLP Cc1cc(NCCNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)nc(C(C)C)[nH+]1 ZINC000627118135 493091006 /nfs/dbraw/zinc/09/10/06/493091006.db2.gz RHODPXAAFXQHAR-UHFFFAOYSA-N 2 2 374.449 0.774 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653382095 493110759 /nfs/dbraw/zinc/11/07/59/493110759.db2.gz BNCUKQAIRGKHGA-SFHVURJKSA-N 2 2 358.486 0.582 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653382095 493110761 /nfs/dbraw/zinc/11/07/61/493110761.db2.gz BNCUKQAIRGKHGA-SFHVURJKSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653382095 493110763 /nfs/dbraw/zinc/11/07/63/493110763.db2.gz BNCUKQAIRGKHGA-SFHVURJKSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH+](CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)C1CC1 ZINC000653382095 493110765 /nfs/dbraw/zinc/11/07/65/493110765.db2.gz BNCUKQAIRGKHGA-SFHVURJKSA-N 2 2 358.486 0.582 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)nc(C(C)C)[nH+]1 ZINC000633075572 493115049 /nfs/dbraw/zinc/11/50/49/493115049.db2.gz INOGCKGXEFXPBP-GJZGRUSLSA-N 2 2 372.473 0.130 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640562173 493117084 /nfs/dbraw/zinc/11/70/84/493117084.db2.gz GIAFSHRMXKSNPU-OAHLLOKOSA-N 2 2 351.451 0.300 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]([N@@H+]3CC[C@H](O)C3)C1)n2C ZINC000627258579 493120564 /nfs/dbraw/zinc/12/05/64/493120564.db2.gz CUCJOLWLRBSOPZ-OLZOCXBDSA-N 2 2 358.446 0.315 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]([N@H+]3CC[C@H](O)C3)C1)n2C ZINC000627258579 493120568 /nfs/dbraw/zinc/12/05/68/493120568.db2.gz CUCJOLWLRBSOPZ-OLZOCXBDSA-N 2 2 358.446 0.315 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000633116939 493132384 /nfs/dbraw/zinc/13/23/84/493132384.db2.gz YEDSWAZLWQBQSY-CABCVRRESA-N 2 2 374.489 0.505 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000633115701 493132761 /nfs/dbraw/zinc/13/27/61/493132761.db2.gz MCTDPLXFZVMMPS-WBVHZDCISA-N 2 2 374.485 0.678 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116299 493132826 /nfs/dbraw/zinc/13/28/26/493132826.db2.gz RPEVIHVHZUIKQL-HOCLYGCPSA-N 2 2 360.458 0.288 20 0 FCADLP CC(C)(CNC(=O)Cn1cc(-c2cccc(C[NH3+])c2)nn1)[NH+]1CCOCC1 ZINC000640868037 493140022 /nfs/dbraw/zinc/14/00/22/493140022.db2.gz ZMTDSBBJINJNLJ-UHFFFAOYSA-N 2 2 372.473 0.631 20 0 FCADLP [NH3+]CCCc1cn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000640872416 493141235 /nfs/dbraw/zinc/14/12/35/493141235.db2.gz LYRBPWSPGDLXBJ-UHFFFAOYSA-N 2 2 358.446 0.640 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000659100309 493152694 /nfs/dbraw/zinc/15/26/94/493152694.db2.gz QDDGVUNNJAPHQE-UHFFFAOYSA-N 2 2 360.458 0.845 20 0 FCADLP [NH3+]CCOCc1cn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000640953932 493152937 /nfs/dbraw/zinc/15/29/37/493152937.db2.gz PIRDRZDYPNZWIS-UHFFFAOYSA-N 2 2 364.475 0.159 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C)CCC(F)(F)F ZINC000627336931 493159848 /nfs/dbraw/zinc/15/98/48/493159848.db2.gz OLZIVIYXOCZNJM-ZDUSSCGKSA-N 2 2 366.428 0.833 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C)CCC(F)(F)F ZINC000627336931 493159850 /nfs/dbraw/zinc/15/98/50/493159850.db2.gz OLZIVIYXOCZNJM-ZDUSSCGKSA-N 2 2 366.428 0.833 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000653594238 493162658 /nfs/dbraw/zinc/16/26/58/493162658.db2.gz FSEZALUUWFHFBS-LJQANCHMSA-N 3 2 356.555 0.416 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000653594238 493162661 /nfs/dbraw/zinc/16/26/61/493162661.db2.gz FSEZALUUWFHFBS-LJQANCHMSA-N 3 2 356.555 0.416 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000653594237 493162701 /nfs/dbraw/zinc/16/27/01/493162701.db2.gz FSEZALUUWFHFBS-IBGZPJMESA-N 3 2 356.555 0.416 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000653594237 493162705 /nfs/dbraw/zinc/16/27/05/493162705.db2.gz FSEZALUUWFHFBS-IBGZPJMESA-N 3 2 356.555 0.416 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000659445972 493179515 /nfs/dbraw/zinc/17/95/15/493179515.db2.gz KUQQOGFSEAOMNA-HNNXBMFYSA-N 2 2 350.463 0.805 20 0 FCADLP COc1ccc([C@@H](NC(=O)c2cn(CC[NH3+])nn2)c2[nH+]ccn2C)cc1 ZINC000659290790 493184822 /nfs/dbraw/zinc/18/48/22/493184822.db2.gz ATEPQIKMOCJJSD-OAHLLOKOSA-N 2 2 355.402 0.498 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](Cc3ccccn3)CC2)cnn1C ZINC000659289179 493185890 /nfs/dbraw/zinc/18/58/90/493185890.db2.gz CVGZOSVSANQBPR-RBUKOAKNSA-N 2 2 368.485 0.771 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n1C ZINC000672524865 493191124 /nfs/dbraw/zinc/19/11/24/493191124.db2.gz PNUKIUKLIOPCCT-MRXNPFEDSA-N 2 2 370.457 0.405 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1C ZINC000672524865 493191128 /nfs/dbraw/zinc/19/11/28/493191128.db2.gz PNUKIUKLIOPCCT-MRXNPFEDSA-N 2 2 370.457 0.405 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000672593911 493212279 /nfs/dbraw/zinc/21/22/79/493212279.db2.gz JHSQDDDQIDRHRE-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000672593911 493212283 /nfs/dbraw/zinc/21/22/83/493212283.db2.gz JHSQDDDQIDRHRE-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659574893 493216127 /nfs/dbraw/zinc/21/61/27/493216127.db2.gz ZZILLCCRUURANE-HNNXBMFYSA-N 2 2 351.495 0.596 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000666702922 493219534 /nfs/dbraw/zinc/21/95/34/493219534.db2.gz JFIBWAKDKPGCEN-HUUCEWRRSA-N 2 2 355.446 0.252 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637651 493220332 /nfs/dbraw/zinc/22/03/32/493220332.db2.gz LSWHMPAHGSPDEF-RDJZCZTQSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637651 493220334 /nfs/dbraw/zinc/22/03/34/493220334.db2.gz LSWHMPAHGSPDEF-RDJZCZTQSA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C(C)(C)O)C2)CC1 ZINC000672637961 493220575 /nfs/dbraw/zinc/22/05/75/493220575.db2.gz AZDBHQKRHZPSPI-ZBFHGGJFSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C(C)(C)O)C2)CC1 ZINC000672637961 493220577 /nfs/dbraw/zinc/22/05/77/493220577.db2.gz AZDBHQKRHZPSPI-ZBFHGGJFSA-N 2 2 366.506 0.033 20 0 FCADLP CCCC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638075 493220864 /nfs/dbraw/zinc/22/08/64/493220864.db2.gz DCPKHCNPZUDADB-JKSUJKDBSA-N 2 2 368.522 0.593 20 0 FCADLP CCCC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638075 493220868 /nfs/dbraw/zinc/22/08/68/493220868.db2.gz DCPKHCNPZUDADB-JKSUJKDBSA-N 2 2 368.522 0.593 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000672638389 493221985 /nfs/dbraw/zinc/22/19/85/493221985.db2.gz GLLSUMKYNMZLPD-MRXNPFEDSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000672638389 493221987 /nfs/dbraw/zinc/22/19/87/493221987.db2.gz GLLSUMKYNMZLPD-MRXNPFEDSA-N 2 2 362.518 0.918 20 0 FCADLP CN(CCc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639400 493222390 /nfs/dbraw/zinc/22/23/90/493222390.db2.gz BZOWDMUWPPPCNI-QGZVFWFLSA-N 2 2 373.501 0.367 20 0 FCADLP CN(CCc1ccncc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639400 493222395 /nfs/dbraw/zinc/22/23/95/493222395.db2.gz BZOWDMUWPPPCNI-QGZVFWFLSA-N 2 2 373.501 0.367 20 0 FCADLP C[C@@H]1CCSCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641131 493223436 /nfs/dbraw/zinc/22/34/36/493223436.db2.gz NGUIILHYGLPEKL-CABCVRRESA-N 2 2 368.547 0.625 20 0 FCADLP C[C@@H]1CCSCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641131 493223439 /nfs/dbraw/zinc/22/34/39/493223439.db2.gz NGUIILHYGLPEKL-CABCVRRESA-N 2 2 368.547 0.625 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639959 493224995 /nfs/dbraw/zinc/22/49/95/493224995.db2.gz PTDCSCVQAHWZDM-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639959 493224998 /nfs/dbraw/zinc/22/49/98/493224998.db2.gz PTDCSCVQAHWZDM-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCSC(C)(C)C3)C2)CC1 ZINC000672642076 493225863 /nfs/dbraw/zinc/22/58/63/493225863.db2.gz XCVORJCBMSJVAI-CQSZACIVSA-N 2 2 368.547 0.625 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCSC(C)(C)C3)C2)CC1 ZINC000672642076 493225866 /nfs/dbraw/zinc/22/58/66/493225866.db2.gz XCVORJCBMSJVAI-CQSZACIVSA-N 2 2 368.547 0.625 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641961 493226191 /nfs/dbraw/zinc/22/61/91/493226191.db2.gz UUNVEVSZOFYAME-KGLIPLIRSA-N 2 2 372.460 0.823 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641961 493226195 /nfs/dbraw/zinc/22/61/95/493226195.db2.gz UUNVEVSZOFYAME-KGLIPLIRSA-N 2 2 372.460 0.823 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642657 493226438 /nfs/dbraw/zinc/22/64/38/493226438.db2.gz RWJAUBXARRHQTR-WBVHZDCISA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[C@@H]3CCCCO3)C2)CC1 ZINC000672642657 493226441 /nfs/dbraw/zinc/22/64/41/493226441.db2.gz RWJAUBXARRHQTR-WBVHZDCISA-N 2 2 366.506 0.347 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC3(C)C)C2)CC1 ZINC000672642570 493226727 /nfs/dbraw/zinc/22/67/27/493226727.db2.gz CREVUWUCOOPPIV-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCC3(C)C)C2)CC1 ZINC000672642570 493226729 /nfs/dbraw/zinc/22/67/29/493226729.db2.gz CREVUWUCOOPPIV-ZBFHGGJFSA-N 2 2 350.507 0.966 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCC(=O)N1C ZINC000659641379 493226995 /nfs/dbraw/zinc/22/69/95/493226995.db2.gz NEVAOCAXJLXLCY-DZKIICNBSA-N 2 2 360.462 0.618 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000672641808 493227122 /nfs/dbraw/zinc/22/71/22/493227122.db2.gz ULNYZWRQQQRRME-DZGCQCFKSA-N 2 2 354.520 0.283 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000672641808 493227123 /nfs/dbraw/zinc/22/71/23/493227123.db2.gz ULNYZWRQQQRRME-DZGCQCFKSA-N 2 2 354.520 0.283 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000672765253 493247096 /nfs/dbraw/zinc/24/70/96/493247096.db2.gz GMGRKSHRPXFYDL-WMLDXEAASA-N 2 2 369.469 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000672765253 493247100 /nfs/dbraw/zinc/24/71/00/493247100.db2.gz GMGRKSHRPXFYDL-WMLDXEAASA-N 2 2 369.469 0.900 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c[nH+]2)CCO1 ZINC000659691382 493255993 /nfs/dbraw/zinc/25/59/93/493255993.db2.gz IFDHOGMMQWNERO-ZDUSSCGKSA-N 2 2 363.462 0.119 20 0 FCADLP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659720288 493271299 /nfs/dbraw/zinc/27/12/99/493271299.db2.gz SGCGVZQHNPVMOV-KRWDZBQOSA-N 2 2 366.506 0.348 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3OCO4)C2)CC1 ZINC000682271209 493284752 /nfs/dbraw/zinc/28/47/52/493284752.db2.gz YKJOOTNVIAQSLW-ZDUSSCGKSA-N 2 2 374.441 0.639 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3OCO4)C2)CC1 ZINC000682271209 493284755 /nfs/dbraw/zinc/28/47/55/493284755.db2.gz YKJOOTNVIAQSLW-ZDUSSCGKSA-N 2 2 374.441 0.639 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000659750020 493285593 /nfs/dbraw/zinc/28/55/93/493285593.db2.gz LTOCQXHGGGQNQD-OAHLLOKOSA-N 2 2 362.474 0.372 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3nnn(C(C)(C)C)n3)CC2)CC1 ZINC000667641724 493294609 /nfs/dbraw/zinc/29/46/09/493294609.db2.gz BGDGTENTTTYNJB-UHFFFAOYSA-N 2 2 363.510 0.645 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659839017 493294652 /nfs/dbraw/zinc/29/46/52/493294652.db2.gz TYAPZLYWUUXCNP-MRXNPFEDSA-N 2 2 352.523 0.977 20 0 FCADLP Cc1[nH+]cc(C[N@@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000668209065 493324760 /nfs/dbraw/zinc/32/47/60/493324760.db2.gz SFYNCQJUIXNCMP-UHFFFAOYSA-N 2 2 351.476 0.944 20 0 FCADLP Cc1[nH+]cc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000668209065 493324763 /nfs/dbraw/zinc/32/47/63/493324763.db2.gz SFYNCQJUIXNCMP-UHFFFAOYSA-N 2 2 351.476 0.944 20 0 FCADLP C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[C@H](C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000682901231 493325856 /nfs/dbraw/zinc/32/58/56/493325856.db2.gz DMCYIJXKMXYRED-OKILXGFUSA-N 2 2 356.430 0.819 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660638339 493369247 /nfs/dbraw/zinc/36/92/47/493369247.db2.gz JJBGZCDHYXEZLF-SFHVURJKSA-N 2 2 367.538 0.422 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660638339 493369251 /nfs/dbraw/zinc/36/92/51/493369251.db2.gz JJBGZCDHYXEZLF-SFHVURJKSA-N 2 2 367.538 0.422 20 0 FCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656899 493370714 /nfs/dbraw/zinc/37/07/14/493370714.db2.gz AWKGIJMTPLQPAA-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656899 493370717 /nfs/dbraw/zinc/37/07/17/493370717.db2.gz AWKGIJMTPLQPAA-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656899 493370721 /nfs/dbraw/zinc/37/07/21/493370721.db2.gz AWKGIJMTPLQPAA-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C2 ZINC000660656899 493370724 /nfs/dbraw/zinc/37/07/24/493370724.db2.gz AWKGIJMTPLQPAA-FQEVSTJZSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NC(=O)CC[C@H]4C3)C2)CC1 ZINC000660711719 493375542 /nfs/dbraw/zinc/37/55/42/493375542.db2.gz GCRDRXMFLYNZEZ-ZOBUZTSGSA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NC(=O)CC[C@H]4C3)C2)CC1 ZINC000660711719 493375544 /nfs/dbraw/zinc/37/55/44/493375544.db2.gz GCRDRXMFLYNZEZ-ZOBUZTSGSA-N 2 2 363.506 0.465 20 0 FCADLP Cc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1S(N)(=O)=O ZINC000674000208 493381124 /nfs/dbraw/zinc/38/11/24/493381124.db2.gz BOAJVFVLXYHUHD-UHFFFAOYSA-N 2 2 368.503 0.398 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668692807 493398057 /nfs/dbraw/zinc/39/80/57/493398057.db2.gz ILYRLCYTSULGPY-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000668692807 493398060 /nfs/dbraw/zinc/39/80/60/493398060.db2.gz ILYRLCYTSULGPY-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668713670 493400528 /nfs/dbraw/zinc/40/05/28/493400528.db2.gz XPKIWEJGVAJEEG-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361952 493408751 /nfs/dbraw/zinc/40/87/51/493408751.db2.gz XYEVDSCVUOOMEN-ROUUACIJSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361952 493408752 /nfs/dbraw/zinc/40/87/52/493408752.db2.gz XYEVDSCVUOOMEN-ROUUACIJSA-N 2 2 351.491 0.953 20 0 FCADLP CNC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660510 493427055 /nfs/dbraw/zinc/42/70/55/493427055.db2.gz MBSVLFOIWKARIT-KBXCAEBGSA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684660510 493427057 /nfs/dbraw/zinc/42/70/57/493427057.db2.gz MBSVLFOIWKARIT-KBXCAEBGSA-N 2 2 351.495 0.323 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000684937149 493438825 /nfs/dbraw/zinc/43/88/25/493438825.db2.gz QKHDBEFUNGMRLT-MRXNPFEDSA-N 2 2 374.489 0.561 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000684937149 493438827 /nfs/dbraw/zinc/43/88/27/493438827.db2.gz QKHDBEFUNGMRLT-MRXNPFEDSA-N 2 2 374.489 0.561 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000668942526 493442086 /nfs/dbraw/zinc/44/20/86/493442086.db2.gz IBMQVYZJLRCJHN-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674878157 493454593 /nfs/dbraw/zinc/45/45/93/493454593.db2.gz BXNHPGWWABQIHT-INIZCTEOSA-N 2 2 366.531 0.946 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674878157 493454594 /nfs/dbraw/zinc/45/45/94/493454594.db2.gz BXNHPGWWABQIHT-INIZCTEOSA-N 2 2 366.531 0.946 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661955542 493478919 /nfs/dbraw/zinc/47/89/19/493478919.db2.gz JGPZVAZPVRFUQX-MRXNPFEDSA-N 2 2 351.495 0.420 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000661955542 493478922 /nfs/dbraw/zinc/47/89/22/493478922.db2.gz JGPZVAZPVRFUQX-MRXNPFEDSA-N 2 2 351.495 0.420 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955478 493479176 /nfs/dbraw/zinc/47/91/76/493479176.db2.gz IHVNKCKHIBCKNS-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955478 493479181 /nfs/dbraw/zinc/47/91/81/493479181.db2.gz IHVNKCKHIBCKNS-GOEBONIOSA-N 2 2 351.495 0.465 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCN(c2ccccc2F)CC1 ZINC000662286533 493502357 /nfs/dbraw/zinc/50/23/57/493502357.db2.gz JQAAJDDPWLMOQC-UHFFFAOYSA-N 2 2 350.438 0.178 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000675782466 493503482 /nfs/dbraw/zinc/50/34/82/493503482.db2.gz UEDDJYIHZNXUHL-ZDUSSCGKSA-N 2 2 354.476 0.483 20 0 FCADLP COc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000675782255 493503543 /nfs/dbraw/zinc/50/35/43/493503543.db2.gz PJHVTRDGVVHZRT-CYBMUJFWSA-N 2 2 369.487 0.523 20 0 FCADLP CCOc1c(OC)cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000669429841 493503656 /nfs/dbraw/zinc/50/36/56/493503656.db2.gz YRXZQJWVSNECCB-AWEZNQCLSA-N 2 2 366.462 0.887 20 0 FCADLP CCOc1c(OC)cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000669429841 493503659 /nfs/dbraw/zinc/50/36/59/493503659.db2.gz YRXZQJWVSNECCB-AWEZNQCLSA-N 2 2 366.462 0.887 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292609 493504045 /nfs/dbraw/zinc/50/40/45/493504045.db2.gz OSQGCSLVHGWION-VNQPRFMTSA-N 2 2 357.520 0.390 20 0 FCADLP C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000662297731 493504923 /nfs/dbraw/zinc/50/49/23/493504923.db2.gz PUEJHCRYOSBNIY-UHFFFAOYSA-N 2 2 371.503 0.755 20 0 FCADLP C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000662297731 493504924 /nfs/dbraw/zinc/50/49/24/493504924.db2.gz PUEJHCRYOSBNIY-UHFFFAOYSA-N 2 2 371.503 0.755 20 0 FCADLP COC1CC[NH+](C2(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CCCC2)CC1 ZINC000669469686 493505180 /nfs/dbraw/zinc/50/51/80/493505180.db2.gz XHFQXHMMCNZHTB-MRXNPFEDSA-N 3 2 367.538 0.694 20 0 FCADLP COC1CC[NH+](C2(CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CCCC2)CC1 ZINC000669469686 493505183 /nfs/dbraw/zinc/50/51/83/493505183.db2.gz XHFQXHMMCNZHTB-MRXNPFEDSA-N 3 2 367.538 0.694 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)Nc1ccon1 ZINC000662335930 493507897 /nfs/dbraw/zinc/50/78/97/493507897.db2.gz UPPTVBZXNISBCG-CYBMUJFWSA-N 2 2 359.434 0.625 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)Nc1ccon1 ZINC000662335930 493507899 /nfs/dbraw/zinc/50/78/99/493507899.db2.gz UPPTVBZXNISBCG-CYBMUJFWSA-N 2 2 359.434 0.625 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662461613 493518046 /nfs/dbraw/zinc/51/80/46/493518046.db2.gz MYLAADNZQREAGB-OAHLLOKOSA-N 2 2 371.489 0.795 20 0 FCADLP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000662466433 493518783 /nfs/dbraw/zinc/51/87/83/493518783.db2.gz XNVLJUSDBOTSCV-OAHLLOKOSA-N 2 2 368.503 0.237 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)c1cncc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000685881770 493521406 /nfs/dbraw/zinc/52/14/06/493521406.db2.gz QBSNKPDKOXTYRY-UHFFFAOYSA-N 2 2 353.386 0.409 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662661372 493530164 /nfs/dbraw/zinc/53/01/64/493530164.db2.gz AIHGUULJYYDLPR-AEFFLSMTSA-N 2 2 363.458 0.712 20 0 FCADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241342 493533533 /nfs/dbraw/zinc/53/35/33/493533533.db2.gz AIXBWGGOKMVZSA-HOCLYGCPSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241342 493533536 /nfs/dbraw/zinc/53/35/36/493533536.db2.gz AIXBWGGOKMVZSA-HOCLYGCPSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243671 493533565 /nfs/dbraw/zinc/53/35/65/493533565.db2.gz SBXIZYHZGFLCGM-YQQAZPJKSA-N 2 2 372.535 0.213 20 0 FCADLP C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243671 493533568 /nfs/dbraw/zinc/53/35/68/493533568.db2.gz SBXIZYHZGFLCGM-YQQAZPJKSA-N 2 2 372.535 0.213 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243670 493533813 /nfs/dbraw/zinc/53/38/13/493533813.db2.gz SBXIZYHZGFLCGM-UXLLHSPISA-N 2 2 372.535 0.213 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243670 493533817 /nfs/dbraw/zinc/53/38/17/493533817.db2.gz SBXIZYHZGFLCGM-UXLLHSPISA-N 2 2 372.535 0.213 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245857 493534585 /nfs/dbraw/zinc/53/45/85/493534585.db2.gz ANNJJXHSPQYFCC-YVSFHVDLSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245857 493534587 /nfs/dbraw/zinc/53/45/87/493534587.db2.gz ANNJJXHSPQYFCC-YVSFHVDLSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676251223 493535060 /nfs/dbraw/zinc/53/50/60/493535060.db2.gz LQYVMXIQUSGLLL-FPCVCCKLSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676251223 493535062 /nfs/dbraw/zinc/53/50/62/493535062.db2.gz LQYVMXIQUSGLLL-FPCVCCKLSA-N 2 2 356.511 0.893 20 0 FCADLP CCC(CC)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000662752362 493537653 /nfs/dbraw/zinc/53/76/53/493537653.db2.gz XYSNBOPRNJLFAO-INIZCTEOSA-N 2 2 351.451 0.394 20 0 FCADLP C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676263825 493538270 /nfs/dbraw/zinc/53/82/70/493538270.db2.gz MPEYGDKORWONRP-BLLLJJGKSA-N 2 2 363.462 0.688 20 0 FCADLP C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676263825 493538271 /nfs/dbraw/zinc/53/82/71/493538271.db2.gz MPEYGDKORWONRP-BLLLJJGKSA-N 2 2 363.462 0.688 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000662753425 493538583 /nfs/dbraw/zinc/53/85/83/493538583.db2.gz QZUIYFGWIJORNW-UHFFFAOYSA-N 2 2 357.414 0.403 20 0 FCADLP CCN1C(=O)CC[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)[C@H]1c1[nH+]ccn1C ZINC000662773187 493541198 /nfs/dbraw/zinc/54/11/98/493541198.db2.gz UKAMLUZEQJHPQA-AESZEHBQSA-N 2 2 359.474 0.930 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC2)cc[nH+]1 ZINC000662795297 493542344 /nfs/dbraw/zinc/54/23/44/493542344.db2.gz WDJNVEXPTMXABJ-HNNXBMFYSA-N 2 2 370.461 0.654 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662810262 493543704 /nfs/dbraw/zinc/54/37/04/493543704.db2.gz PNWRYPAKGGGHMF-JONQDZQNSA-N 2 2 353.442 0.155 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662810262 493543707 /nfs/dbraw/zinc/54/37/07/493543707.db2.gz PNWRYPAKGGGHMF-JONQDZQNSA-N 2 2 353.442 0.155 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676310167 493544496 /nfs/dbraw/zinc/54/44/96/493544496.db2.gz RYZSIHJJMOCVLD-UHFFFAOYSA-N 2 2 362.478 0.304 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)n2C ZINC000676388053 493548612 /nfs/dbraw/zinc/54/86/12/493548612.db2.gz ISYINIMCQVKXKX-CYBMUJFWSA-N 2 2 358.446 0.581 20 0 FCADLP CN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901687 493550159 /nfs/dbraw/zinc/55/01/59/493550159.db2.gz YIHNCLWPEOVFBL-AWEZNQCLSA-N 3 2 351.520 0.885 20 0 FCADLP CN(C(=O)c1csc(CC[NH3+])n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901687 493550160 /nfs/dbraw/zinc/55/01/60/493550160.db2.gz YIHNCLWPEOVFBL-AWEZNQCLSA-N 3 2 351.520 0.885 20 0 FCADLP Cn1nc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000676418824 493550709 /nfs/dbraw/zinc/55/07/09/493550709.db2.gz PHEIWAZHJDLWHC-HNNXBMFYSA-N 2 2 357.458 0.596 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670502262 493575282 /nfs/dbraw/zinc/57/52/82/493575282.db2.gz OWFZFJXCJQWZIZ-KRWDZBQOSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670502262 493575283 /nfs/dbraw/zinc/57/52/83/493575283.db2.gz OWFZFJXCJQWZIZ-KRWDZBQOSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000670503769 493575779 /nfs/dbraw/zinc/57/57/79/493575779.db2.gz LBDGPFDSJZYXNJ-QGZVFWFLSA-N 2 2 368.522 0.545 20 0 FCADLP NC(=O)C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000676891974 493577249 /nfs/dbraw/zinc/57/72/49/493577249.db2.gz NQIXWERDBMRLRK-MRXNPFEDSA-N 2 2 374.485 0.332 20 0 FCADLP NC(=O)C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000676891974 493577251 /nfs/dbraw/zinc/57/72/51/493577251.db2.gz NQIXWERDBMRLRK-MRXNPFEDSA-N 2 2 374.485 0.332 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537449 493578398 /nfs/dbraw/zinc/57/83/98/493578398.db2.gz OQEGJOFQOZYYHB-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537449 493578401 /nfs/dbraw/zinc/57/84/01/493578401.db2.gz OQEGJOFQOZYYHB-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670628947 493581642 /nfs/dbraw/zinc/58/16/42/493581642.db2.gz BMJMHPDMLODDGH-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000670628947 493581643 /nfs/dbraw/zinc/58/16/43/493581643.db2.gz BMJMHPDMLODDGH-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000670628947 493581646 /nfs/dbraw/zinc/58/16/46/493581646.db2.gz BMJMHPDMLODDGH-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670628947 493581648 /nfs/dbraw/zinc/58/16/48/493581648.db2.gz BMJMHPDMLODDGH-JQHSSLGASA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000670709448 493589529 /nfs/dbraw/zinc/58/95/29/493589529.db2.gz LJVADXQPLJYFIF-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1nc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000670750087 493593607 /nfs/dbraw/zinc/59/36/07/493593607.db2.gz USASCXGCXNUZTJ-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP Cc1nc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000670750087 493593609 /nfs/dbraw/zinc/59/36/09/493593609.db2.gz USASCXGCXNUZTJ-UHFFFAOYSA-N 2 2 367.519 0.552 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C[C@@H]1O ZINC000663516141 493593677 /nfs/dbraw/zinc/59/36/77/493593677.db2.gz OZFTZGKCISOZTA-BZSNNMDCSA-N 2 2 362.474 0.376 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C[C@H](C)O1 ZINC000663551523 493596488 /nfs/dbraw/zinc/59/64/88/493596488.db2.gz FCDHZUNHEWQHGI-VQHPVUNQSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C[C@H](C)O1 ZINC000663551523 493596489 /nfs/dbraw/zinc/59/64/89/493596489.db2.gz FCDHZUNHEWQHGI-VQHPVUNQSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)CO1 ZINC000663551523 493596491 /nfs/dbraw/zinc/59/64/91/493596491.db2.gz FCDHZUNHEWQHGI-VQHPVUNQSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)CO1 ZINC000663551523 493596492 /nfs/dbraw/zinc/59/64/92/493596492.db2.gz FCDHZUNHEWQHGI-VQHPVUNQSA-N 2 2 356.511 0.894 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663560313 493598799 /nfs/dbraw/zinc/59/87/99/493598799.db2.gz KZQTYOQEFXREFB-ROUUACIJSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663560313 493598800 /nfs/dbraw/zinc/59/88/00/493598800.db2.gz KZQTYOQEFXREFB-ROUUACIJSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)CO1 ZINC000663578586 493601226 /nfs/dbraw/zinc/60/12/26/493601226.db2.gz GSQCJEHSFQUAOX-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)CO1 ZINC000663578586 493601229 /nfs/dbraw/zinc/60/12/29/493601229.db2.gz GSQCJEHSFQUAOX-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)CO1 ZINC000663578586 493601231 /nfs/dbraw/zinc/60/12/31/493601231.db2.gz GSQCJEHSFQUAOX-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)[C@H](C)CO1 ZINC000663578586 493601234 /nfs/dbraw/zinc/60/12/34/493601234.db2.gz GSQCJEHSFQUAOX-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(OCCO)CC3)C2)CC1 ZINC000677477406 493604161 /nfs/dbraw/zinc/60/41/61/493604161.db2.gz ZXHLUIWOFOFUPT-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(OCCO)CC3)C2)CC1 ZINC000677477406 493604162 /nfs/dbraw/zinc/60/41/62/493604162.db2.gz ZXHLUIWOFOFUPT-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663615534 493604325 /nfs/dbraw/zinc/60/43/25/493604325.db2.gz KPLXHBUHKCSSKA-FQEVSTJZSA-N 2 2 373.501 0.631 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000677577118 493609327 /nfs/dbraw/zinc/60/93/27/493609327.db2.gz CWNCGKQXLPDWAJ-GOSISDBHSA-N 3 2 367.538 0.519 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000677579468 493609406 /nfs/dbraw/zinc/60/94/06/493609406.db2.gz RGJUXCYGDOBXLP-CYBMUJFWSA-N 2 2 352.401 0.985 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913744 493611510 /nfs/dbraw/zinc/61/15/10/493611510.db2.gz KREZATZXDIORAQ-BZUAXINKSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000670913744 493611512 /nfs/dbraw/zinc/61/15/12/493611512.db2.gz KREZATZXDIORAQ-BZUAXINKSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccsc3)C2)CC1 ZINC000670914810 493611616 /nfs/dbraw/zinc/61/16/16/493611616.db2.gz BGEICFKUCHAODQ-CQSZACIVSA-N 2 2 350.488 0.649 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccsc3)C2)CC1 ZINC000670914810 493611618 /nfs/dbraw/zinc/61/16/18/493611618.db2.gz BGEICFKUCHAODQ-CQSZACIVSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1[NH+]1CCOCC1 ZINC000663701382 493613596 /nfs/dbraw/zinc/61/35/96/493613596.db2.gz NAOYTDKNHAOUGK-HZPDHXFCSA-N 2 2 361.490 0.985 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670982597 493618999 /nfs/dbraw/zinc/61/89/99/493618999.db2.gz GIUSEBKQGLCKIZ-INIZCTEOSA-N 2 2 363.462 0.021 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOC ZINC000678038421 493631631 /nfs/dbraw/zinc/63/16/31/493631631.db2.gz PXQLOWIEBBJJRD-BRWVUGGUSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCOC ZINC000678038421 493631633 /nfs/dbraw/zinc/63/16/33/493631633.db2.gz PXQLOWIEBBJJRD-BRWVUGGUSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCOC ZINC000678038421 493631634 /nfs/dbraw/zinc/63/16/34/493631634.db2.gz PXQLOWIEBBJJRD-BRWVUGGUSA-N 2 2 356.511 0.848 20 0 FCADLP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOC ZINC000678038421 493631636 /nfs/dbraw/zinc/63/16/36/493631636.db2.gz PXQLOWIEBBJJRD-BRWVUGGUSA-N 2 2 356.511 0.848 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671100423 493632813 /nfs/dbraw/zinc/63/28/13/493632813.db2.gz IAHVDUMVMZBQPH-IXDOHACOSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671100423 493632815 /nfs/dbraw/zinc/63/28/15/493632815.db2.gz IAHVDUMVMZBQPH-IXDOHACOSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671101517 493633437 /nfs/dbraw/zinc/63/34/37/493633437.db2.gz WDFFMNMGQLSDKT-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671101517 493633439 /nfs/dbraw/zinc/63/34/39/493633439.db2.gz WDFFMNMGQLSDKT-IKGGRYGDSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N(CCOCCO)C3CCC3)C2)CC1 ZINC000664132525 493639064 /nfs/dbraw/zinc/63/90/64/493639064.db2.gz KERWAISOPVBOIO-INIZCTEOSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N(CCOCCO)C3CCC3)C2)CC1 ZINC000664132525 493639066 /nfs/dbraw/zinc/63/90/66/493639066.db2.gz KERWAISOPVBOIO-INIZCTEOSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000664175537 493641922 /nfs/dbraw/zinc/64/19/22/493641922.db2.gz QCVPINLFAJFZEQ-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000664175537 493641926 /nfs/dbraw/zinc/64/19/26/493641926.db2.gz QCVPINLFAJFZEQ-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP CC(C)Nc1nc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)nc(NCCO)[nH+]1 ZINC000664241515 493646755 /nfs/dbraw/zinc/64/67/55/493646755.db2.gz FYKZNEAQCXFEPU-QWHCGFSZSA-N 2 2 353.471 0.617 20 0 FCADLP CC(C)Nc1nc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)nc(NCCO)[nH+]1 ZINC000664241515 493646757 /nfs/dbraw/zinc/64/67/57/493646757.db2.gz FYKZNEAQCXFEPU-QWHCGFSZSA-N 2 2 353.471 0.617 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000671325738 493654958 /nfs/dbraw/zinc/65/49/58/493654958.db2.gz OZSCYERLEQQRSM-QGZVFWFLSA-N 2 2 372.513 0.927 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000671325738 493654960 /nfs/dbraw/zinc/65/49/60/493654960.db2.gz OZSCYERLEQQRSM-QGZVFWFLSA-N 2 2 372.513 0.927 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)n1C ZINC000664351546 493655078 /nfs/dbraw/zinc/65/50/78/493655078.db2.gz OMDYMBQXOASDCZ-ZDUSSCGKSA-N 2 2 363.466 0.779 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671376297 493662136 /nfs/dbraw/zinc/66/21/36/493662136.db2.gz DDPUGUAVHHBABD-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP CN(C)c1nccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000678843617 493662529 /nfs/dbraw/zinc/66/25/29/493662529.db2.gz KCBUTRHSEZLHJC-OAHLLOKOSA-N 2 2 361.494 0.510 20 0 FCADLP CN(C)c1nccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000678843617 493662531 /nfs/dbraw/zinc/66/25/31/493662531.db2.gz KCBUTRHSEZLHJC-OAHLLOKOSA-N 2 2 361.494 0.510 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000664490799 493662601 /nfs/dbraw/zinc/66/26/01/493662601.db2.gz UVWNBGRTYOJBSN-MWDXBVQZSA-N 2 2 366.506 0.648 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000664490799 493662604 /nfs/dbraw/zinc/66/26/04/493662604.db2.gz UVWNBGRTYOJBSN-MWDXBVQZSA-N 2 2 366.506 0.648 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395004 493664589 /nfs/dbraw/zinc/66/45/89/493664589.db2.gz WDLVBYZHVFLTEO-GOSISDBHSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395004 493664591 /nfs/dbraw/zinc/66/45/91/493664591.db2.gz WDLVBYZHVFLTEO-GOSISDBHSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396913 493665065 /nfs/dbraw/zinc/66/50/65/493665065.db2.gz VAWTWAKDBLYVCZ-KDOFPFPSSA-N 2 2 356.470 0.717 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396913 493665066 /nfs/dbraw/zinc/66/50/66/493665066.db2.gz VAWTWAKDBLYVCZ-KDOFPFPSSA-N 2 2 356.470 0.717 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664521015 493665446 /nfs/dbraw/zinc/66/54/46/493665446.db2.gz QICRWGGKKNWJNV-RDJZCZTQSA-N 2 2 359.474 0.901 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664521015 493665447 /nfs/dbraw/zinc/66/54/47/493665447.db2.gz QICRWGGKKNWJNV-RDJZCZTQSA-N 2 2 359.474 0.901 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000664538916 493666419 /nfs/dbraw/zinc/66/64/19/493666419.db2.gz JLIMADQQHKESQP-SFHVURJKSA-N 3 2 367.538 0.565 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000679508830 493684428 /nfs/dbraw/zinc/68/44/28/493684428.db2.gz SCSPLVUQUUJWLV-UHFFFAOYSA-N 2 2 372.429 0.121 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000664857129 493687297 /nfs/dbraw/zinc/68/72/97/493687297.db2.gz AOBXDKUISONONL-KKUMJFAQSA-N 2 2 351.451 0.204 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CC(N)=O)CC3)C2)CC1 ZINC000671582031 493692319 /nfs/dbraw/zinc/69/23/19/493692319.db2.gz XXKATUIZFQOZOC-CVEARBPZSA-N 2 2 365.522 0.842 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](CC(N)=O)CC3)C2)CC1 ZINC000671582031 493692321 /nfs/dbraw/zinc/69/23/21/493692321.db2.gz XXKATUIZFQOZOC-CVEARBPZSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1=CC[N@H+](C)CC1 ZINC000679729000 493693613 /nfs/dbraw/zinc/69/36/13/493693613.db2.gz XHRRGBAKVMNUAZ-HNNXBMFYSA-N 2 2 362.478 0.987 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1=CC[N@@H+](C)CC1 ZINC000679729000 493693614 /nfs/dbraw/zinc/69/36/14/493693614.db2.gz XHRRGBAKVMNUAZ-HNNXBMFYSA-N 2 2 362.478 0.987 20 0 FCADLP CN(C(=O)C(=O)NCCOCC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671883327 493711355 /nfs/dbraw/zinc/71/13/55/493711355.db2.gz VJIPSVXJOPAKOL-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NCCOCC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671883327 493711358 /nfs/dbraw/zinc/71/13/58/493711358.db2.gz VJIPSVXJOPAKOL-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665457439 493715519 /nfs/dbraw/zinc/71/55/19/493715519.db2.gz FPEQXULDWOLMEU-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000671960953 493718341 /nfs/dbraw/zinc/71/83/41/493718341.db2.gz GMXXJFCJJKAWAF-HZPDHXFCSA-N 2 2 363.462 0.131 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000672255431 493746431 /nfs/dbraw/zinc/74/64/31/493746431.db2.gz MKCHZMZCTXXFEU-UHFFFAOYSA-N 2 2 356.430 0.464 20 0 FCADLP COCCOC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217409 493751218 /nfs/dbraw/zinc/75/12/18/493751218.db2.gz FEYPTVFMTNALIH-DOTOQJQBSA-N 2 2 356.511 0.848 20 0 FCADLP COCCOC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217409 493751220 /nfs/dbraw/zinc/75/12/20/493751220.db2.gz FEYPTVFMTNALIH-DOTOQJQBSA-N 2 2 356.511 0.848 20 0 FCADLP CN(C(=O)NCCCC(=O)NC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681210902 493751448 /nfs/dbraw/zinc/75/14/48/493751448.db2.gz DPGPTOIUSIGYMK-KRWDZBQOSA-N 2 2 365.522 0.855 20 0 FCADLP CN(C(=O)NCCCC(=O)NC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681210902 493751450 /nfs/dbraw/zinc/75/14/50/493751450.db2.gz DPGPTOIUSIGYMK-KRWDZBQOSA-N 2 2 365.522 0.855 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672311183 493754965 /nfs/dbraw/zinc/75/49/65/493754965.db2.gz ZLLHJJQFXMUBRF-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672311183 493754968 /nfs/dbraw/zinc/75/49/68/493754968.db2.gz ZLLHJJQFXMUBRF-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672311183 493754969 /nfs/dbraw/zinc/75/49/69/493754969.db2.gz ZLLHJJQFXMUBRF-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311183 493754971 /nfs/dbraw/zinc/75/49/71/493754971.db2.gz ZLLHJJQFXMUBRF-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CN1CCN(c2cc(N3CCN(c4cc[nH+]cc4)CC3)[nH+]cn2)CC1=O ZINC000681372223 493758714 /nfs/dbraw/zinc/75/87/14/493758714.db2.gz FBLWPAXXRWBQSY-UHFFFAOYSA-N 2 2 353.430 0.477 20 0 FCADLP CN1CCN(c2cc(N3CCN(c4cc[nH+]cc4)CC3)nc[nH+]2)CC1=O ZINC000681372223 493758715 /nfs/dbraw/zinc/75/87/15/493758715.db2.gz FBLWPAXXRWBQSY-UHFFFAOYSA-N 2 2 353.430 0.477 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410892181 533850010 /nfs/dbraw/zinc/85/00/10/533850010.db2.gz VLZBLOSTINQFGE-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000410474958 534019000 /nfs/dbraw/zinc/01/90/00/534019000.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 3 2 367.538 0.023 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000410474958 534019017 /nfs/dbraw/zinc/01/90/17/534019017.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 3 2 367.538 0.023 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410474958 534019027 /nfs/dbraw/zinc/01/90/27/534019027.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 3 2 367.538 0.023 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410474958 534019043 /nfs/dbraw/zinc/01/90/43/534019043.db2.gz LWVBSEATDLSGEH-MRXNPFEDSA-N 3 2 367.538 0.023 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3([NH+]4CCOCC4)CCC3)CC2)C1=O ZINC000425316195 536451800 /nfs/dbraw/zinc/45/18/00/536451800.db2.gz XYGICVODPQUJFP-MRXNPFEDSA-N 2 2 364.490 0.053 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000410568712 527956517 /nfs/dbraw/zinc/95/65/17/527956517.db2.gz CHCDNTXFAUXACJ-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410431823 529110339 /nfs/dbraw/zinc/11/03/39/529110339.db2.gz IQMZBKSIEGWMRP-OAHLLOKOSA-N 2 2 362.478 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410431821 529110627 /nfs/dbraw/zinc/11/06/27/529110627.db2.gz IQMZBKSIEGWMRP-HNNXBMFYSA-N 2 2 362.478 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410469006 529116119 /nfs/dbraw/zinc/11/61/19/529116119.db2.gz CGPPHZAMHMUPMX-LSDHHAIUSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410469006 529116123 /nfs/dbraw/zinc/11/61/23/529116123.db2.gz CGPPHZAMHMUPMX-LSDHHAIUSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410581451 529119985 /nfs/dbraw/zinc/11/99/85/529119985.db2.gz BDRRAFFYZGCADE-HRCADAONSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410581451 529119991 /nfs/dbraw/zinc/11/99/91/529119991.db2.gz BDRRAFFYZGCADE-HRCADAONSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410581452 529120259 /nfs/dbraw/zinc/12/02/59/529120259.db2.gz BDRRAFFYZGCADE-JYJNAYRXSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410581452 529120261 /nfs/dbraw/zinc/12/02/61/529120261.db2.gz BDRRAFFYZGCADE-JYJNAYRXSA-N 2 2 374.489 0.310 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000410553424 529350607 /nfs/dbraw/zinc/35/06/07/529350607.db2.gz LSYGNWLYPBHCTI-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000410553424 529350610 /nfs/dbraw/zinc/35/06/10/529350610.db2.gz LSYGNWLYPBHCTI-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1CCOC ZINC000410474676 529352569 /nfs/dbraw/zinc/35/25/69/529352569.db2.gz LJOWEEGCJXNDQC-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1CCOC ZINC000410474676 529352571 /nfs/dbraw/zinc/35/25/71/529352571.db2.gz LJOWEEGCJXNDQC-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410474676 529352572 /nfs/dbraw/zinc/35/25/72/529352572.db2.gz LJOWEEGCJXNDQC-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410474676 529352575 /nfs/dbraw/zinc/35/25/75/529352575.db2.gz LJOWEEGCJXNDQC-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCOCC1 ZINC000435546837 535006169 /nfs/dbraw/zinc/00/61/69/535006169.db2.gz XTGLKSOHVWIIFU-HNNXBMFYSA-N 2 2 352.483 0.642 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424487311 535070812 /nfs/dbraw/zinc/07/08/12/535070812.db2.gz ASRKKXPVILIBCY-LSDHHAIUSA-N 2 2 374.476 0.974 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424487311 535070817 /nfs/dbraw/zinc/07/08/17/535070817.db2.gz ASRKKXPVILIBCY-LSDHHAIUSA-N 2 2 374.476 0.974 20 0 FCADLP CC(C)S(=O)(=O)CC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567920 535087286 /nfs/dbraw/zinc/08/72/86/535087286.db2.gz FLAQTENQEYNONQ-CQSZACIVSA-N 2 2 368.503 0.714 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000441014816 535155822 /nfs/dbraw/zinc/15/58/22/535155822.db2.gz JWIXASQYAQPJQR-GOSISDBHSA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000425405203 535181004 /nfs/dbraw/zinc/18/10/04/535181004.db2.gz QRMAGMLWINMQIY-UHFFFAOYSA-N 2 2 358.486 0.883 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423658302 535187411 /nfs/dbraw/zinc/18/74/11/535187411.db2.gz FPNWHWAHHUWIED-FUHWJXTLSA-N 2 2 373.501 0.887 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423998124 535269576 /nfs/dbraw/zinc/26/95/76/535269576.db2.gz AMUYYBPYPKJMCB-HZPDHXFCSA-N 2 2 350.467 0.401 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423998124 535269580 /nfs/dbraw/zinc/26/95/80/535269580.db2.gz AMUYYBPYPKJMCB-HZPDHXFCSA-N 2 2 350.467 0.401 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)n1C ZINC000425340391 536161156 /nfs/dbraw/zinc/16/11/56/536161156.db2.gz AMKPZIXYSQEMCQ-UHFFFAOYSA-N 3 2 350.511 0.372 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000120602435 546514166 /nfs/dbraw/zinc/51/41/66/546514166.db2.gz MWPLPTDKYXRZAI-QGZVFWFLSA-N 2 2 356.511 0.443 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000120602435 546514171 /nfs/dbraw/zinc/51/41/71/546514171.db2.gz MWPLPTDKYXRZAI-QGZVFWFLSA-N 2 2 356.511 0.443 20 0 FCADLP COC1CC[NH+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000080066194 546569018 /nfs/dbraw/zinc/56/90/18/546569018.db2.gz QZSHQRNICMXEQT-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000448261847 546852812 /nfs/dbraw/zinc/85/28/12/546852812.db2.gz RUDOTGKYTVGGIH-INIZCTEOSA-N 2 2 356.511 0.443 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000448261847 546852817 /nfs/dbraw/zinc/85/28/17/546852817.db2.gz RUDOTGKYTVGGIH-INIZCTEOSA-N 2 2 356.511 0.443 20 0 FCADLP CCc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000333564792 546863033 /nfs/dbraw/zinc/86/30/33/546863033.db2.gz OQUYTYUPIBNNQP-UHFFFAOYSA-N 2 2 353.492 0.258 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000151425552 546905983 /nfs/dbraw/zinc/90/59/83/546905983.db2.gz ZXHWCKOCSLDHJV-IKGGRYGDSA-N 2 2 355.527 0.278 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000151425552 546905984 /nfs/dbraw/zinc/90/59/84/546905984.db2.gz ZXHWCKOCSLDHJV-IKGGRYGDSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000151425552 546905987 /nfs/dbraw/zinc/90/59/87/546905987.db2.gz ZXHWCKOCSLDHJV-IKGGRYGDSA-N 2 2 355.527 0.278 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000151425552 546905988 /nfs/dbraw/zinc/90/59/88/546905988.db2.gz ZXHWCKOCSLDHJV-IKGGRYGDSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281497 547050754 /nfs/dbraw/zinc/05/07/54/547050754.db2.gz BBTULMKLJIJQEV-WMLDXEAASA-N 2 2 353.488 0.944 20 0 FCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281497 547050759 /nfs/dbraw/zinc/05/07/59/547050759.db2.gz BBTULMKLJIJQEV-WMLDXEAASA-N 2 2 353.488 0.944 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000549978380 547075889 /nfs/dbraw/zinc/07/58/89/547075889.db2.gz ZUFXYDZEWXVDCW-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000549978380 547075891 /nfs/dbraw/zinc/07/58/91/547075891.db2.gz ZUFXYDZEWXVDCW-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000550645972 547093100 /nfs/dbraw/zinc/09/31/00/547093100.db2.gz QWUJIMPTSGKKLL-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000550645972 547093103 /nfs/dbraw/zinc/09/31/03/547093103.db2.gz QWUJIMPTSGKKLL-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000550656581 547094161 /nfs/dbraw/zinc/09/41/61/547094161.db2.gz HGKLWXIDOWYMRH-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000550656581 547094166 /nfs/dbraw/zinc/09/41/66/547094166.db2.gz HGKLWXIDOWYMRH-OAGGEKHMSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000550662729 547096190 /nfs/dbraw/zinc/09/61/90/547096190.db2.gz AIASOLWHXKLXRF-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000550662729 547096195 /nfs/dbraw/zinc/09/61/95/547096195.db2.gz AIASOLWHXKLXRF-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000552563017 547216905 /nfs/dbraw/zinc/21/69/05/547216905.db2.gz NIWHDWLEFFEFBP-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000552563017 547216909 /nfs/dbraw/zinc/21/69/09/547216909.db2.gz NIWHDWLEFFEFBP-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553096031 547253104 /nfs/dbraw/zinc/25/31/04/547253104.db2.gz VUCGWASYIWHACD-MRXNPFEDSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553096031 547253108 /nfs/dbraw/zinc/25/31/08/547253108.db2.gz VUCGWASYIWHACD-MRXNPFEDSA-N 2 2 356.511 0.402 20 0 FCADLP CC(C)Nc1nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(NCCO)[nH+]1 ZINC000553406774 547276646 /nfs/dbraw/zinc/27/66/46/547276646.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(NCCO)[nH+]1 ZINC000553406774 547276652 /nfs/dbraw/zinc/27/66/52/547276652.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000553406774 547276657 /nfs/dbraw/zinc/27/66/57/547276657.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000553406774 547276661 /nfs/dbraw/zinc/27/66/61/547276661.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000553406774 547276664 /nfs/dbraw/zinc/27/66/64/547276664.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 2 2 351.499 0.251 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N(C)CC[C@@H]2CCCC[N@H+]2C)[nH+]1 ZINC000553406774 547276670 /nfs/dbraw/zinc/27/66/70/547276670.db2.gz MHJAWBSCOFTGPN-AWEZNQCLSA-N 2 2 351.499 0.251 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736746432 598567847 /nfs/dbraw/zinc/56/78/47/598567847.db2.gz NCXRUDHQYDIMMF-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851452 598743102 /nfs/dbraw/zinc/74/31/02/598743102.db2.gz IDKZHTSYEUVNQL-OAHLLOKOSA-N 2 2 370.461 0.502 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851452 598743104 /nfs/dbraw/zinc/74/31/04/598743104.db2.gz IDKZHTSYEUVNQL-OAHLLOKOSA-N 2 2 370.461 0.502 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853359 598767633 /nfs/dbraw/zinc/76/76/33/598767633.db2.gz XJSTVGLSBOHGTP-MRXNPFEDSA-N 2 2 369.473 0.694 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853359 598767634 /nfs/dbraw/zinc/76/76/34/598767634.db2.gz XJSTVGLSBOHGTP-MRXNPFEDSA-N 2 2 369.473 0.694 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000822858288 607479508 /nfs/dbraw/zinc/47/95/08/607479508.db2.gz AGPDRKDDXLSFKW-AWEZNQCLSA-N 2 2 361.425 0.683 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000822858288 607479510 /nfs/dbraw/zinc/47/95/10/607479510.db2.gz AGPDRKDDXLSFKW-AWEZNQCLSA-N 2 2 361.425 0.683 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000825394976 607568173 /nfs/dbraw/zinc/56/81/73/607568173.db2.gz IYKHWTYJBVMQCK-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000825394976 607568176 /nfs/dbraw/zinc/56/81/76/607568176.db2.gz IYKHWTYJBVMQCK-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821621752 606288949 /nfs/dbraw/zinc/28/89/49/606288949.db2.gz FCUOWEAMXYDIEU-OAHLLOKOSA-N 2 2 372.477 0.446 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)cn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821621752 606288951 /nfs/dbraw/zinc/28/89/51/606288951.db2.gz FCUOWEAMXYDIEU-OAHLLOKOSA-N 2 2 372.477 0.446 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821622264 606322157 /nfs/dbraw/zinc/32/21/57/606322157.db2.gz XWJZEZQNTYBLJB-CQSZACIVSA-N 2 2 358.450 0.435 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821622264 606322158 /nfs/dbraw/zinc/32/21/58/606322158.db2.gz XWJZEZQNTYBLJB-CQSZACIVSA-N 2 2 358.450 0.435 20 0 FCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479737 606860332 /nfs/dbraw/zinc/86/03/32/606860332.db2.gz BOECIIBHTUUNCX-GUYCJALGSA-N 2 2 360.462 0.677 20 0 FCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479737 606860333 /nfs/dbraw/zinc/86/03/33/606860333.db2.gz BOECIIBHTUUNCX-GUYCJALGSA-N 2 2 360.462 0.677 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625082 607072815 /nfs/dbraw/zinc/07/28/15/607072815.db2.gz FIUPUDJBERBHAF-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625082 607072817 /nfs/dbraw/zinc/07/28/17/607072817.db2.gz FIUPUDJBERBHAF-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625082 607072819 /nfs/dbraw/zinc/07/28/19/607072819.db2.gz FIUPUDJBERBHAF-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625082 607072820 /nfs/dbraw/zinc/07/28/20/607072820.db2.gz FIUPUDJBERBHAF-DLBZAZTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)C[NH+]2CCC(C)CC2)c1-c1nn[nH]n1 ZINC000826077718 608020428 /nfs/dbraw/zinc/02/04/28/608020428.db2.gz RMBHWZYCNZUDLO-UHFFFAOYSA-N 2 2 361.454 0.412 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826038662 608505262 /nfs/dbraw/zinc/50/52/62/608505262.db2.gz TXOIQZICFCQAPA-MRXNPFEDSA-N 2 2 355.446 0.608 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898590209 665887544 /nfs/dbraw/zinc/88/75/44/665887544.db2.gz DNWGQRBDDTZGOS-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898590209 665887546 /nfs/dbraw/zinc/88/75/46/665887546.db2.gz DNWGQRBDDTZGOS-UHFFFAOYSA-N 2 2 356.511 0.709 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000899231694 665933301 /nfs/dbraw/zinc/93/33/01/665933301.db2.gz XBYWNZAMFXVRGU-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231694 665933303 /nfs/dbraw/zinc/93/33/03/665933303.db2.gz XBYWNZAMFXVRGU-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231694 665933304 /nfs/dbraw/zinc/93/33/04/665933304.db2.gz XBYWNZAMFXVRGU-SJORKVTESA-N 2 2 352.523 0.772 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000891339476 663352041 /nfs/dbraw/zinc/35/20/41/663352041.db2.gz BXQFKMFNFDTCJP-UHFFFAOYSA-N 2 2 366.535 0.696 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000891519194 663411550 /nfs/dbraw/zinc/41/15/50/663411550.db2.gz YFGCBYXVUUYJMN-ARFHVFGLSA-N 2 2 354.495 0.554 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891536109 663412541 /nfs/dbraw/zinc/41/25/41/663412541.db2.gz CYBFKKUIGPUKBC-HOCLYGCPSA-N 2 2 358.508 0.079 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001022277296 663429218 /nfs/dbraw/zinc/42/92/18/663429218.db2.gz ZJEBMBDHDVAOKC-FVCCEPFGSA-N 2 2 355.870 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncc(Cl)n3C)C2)O1 ZINC001022277296 663429219 /nfs/dbraw/zinc/42/92/19/663429219.db2.gz ZJEBMBDHDVAOKC-FVCCEPFGSA-N 2 2 355.870 0.529 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+]2CCOCC2)C1 ZINC000891858765 663443367 /nfs/dbraw/zinc/44/33/67/663443367.db2.gz VLTHLDHAJUYZSL-SFYZZRBRSA-N 2 2 352.479 0.402 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023452413 663628503 /nfs/dbraw/zinc/62/85/03/663628503.db2.gz ZLQLAAVSXCGEHY-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001023452413 663628505 /nfs/dbraw/zinc/62/85/05/663628505.db2.gz ZLQLAAVSXCGEHY-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023452413 663628507 /nfs/dbraw/zinc/62/85/07/663628507.db2.gz ZLQLAAVSXCGEHY-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001023452413 663628508 /nfs/dbraw/zinc/62/85/08/663628508.db2.gz ZLQLAAVSXCGEHY-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCS(C)(=O)=O)CC[N@@H+]1C ZINC001024448112 663944093 /nfs/dbraw/zinc/94/40/93/663944093.db2.gz CPZIAFIPOBLMRY-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCS(C)(=O)=O)CC[N@H+]1C ZINC001024448112 663944094 /nfs/dbraw/zinc/94/40/94/663944094.db2.gz CPZIAFIPOBLMRY-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC001024448112 663944095 /nfs/dbraw/zinc/94/40/95/663944095.db2.gz CPZIAFIPOBLMRY-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CCS(C)(=O)=O)CC[NH+]1C ZINC001024448112 663944097 /nfs/dbraw/zinc/94/40/97/663944097.db2.gz CPZIAFIPOBLMRY-HRCADAONSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000892514156 663996866 /nfs/dbraw/zinc/99/68/66/663996866.db2.gz XDHIMGXFQUMONT-HIFRSBDPSA-N 2 2 365.503 0.892 20 0 FCADLP C[C@@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C[C@H](C)[N@H+]1CCO ZINC000892879965 664153123 /nfs/dbraw/zinc/15/31/23/664153123.db2.gz WJPOBADKUVPXTC-TXEJJXNPSA-N 2 2 353.492 0.467 20 0 FCADLP C[C@@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C[C@H](C)[N@@H+]1CCO ZINC000892879965 664153124 /nfs/dbraw/zinc/15/31/24/664153124.db2.gz WJPOBADKUVPXTC-TXEJJXNPSA-N 2 2 353.492 0.467 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cnn(CCF)c3)C2)CC1 ZINC000893022096 664200259 /nfs/dbraw/zinc/20/02/59/664200259.db2.gz JVJUBYNFGGFRML-OAHLLOKOSA-N 2 2 352.458 0.820 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cnn(CCF)c3)C2)CC1 ZINC000893022096 664200262 /nfs/dbraw/zinc/20/02/62/664200262.db2.gz JVJUBYNFGGFRML-OAHLLOKOSA-N 2 2 352.458 0.820 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919069 664201335 /nfs/dbraw/zinc/20/13/35/664201335.db2.gz HYTCLAFQHUZUTD-HRHGLFACSA-N 2 2 369.893 0.665 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919069 664201338 /nfs/dbraw/zinc/20/13/38/664201338.db2.gz HYTCLAFQHUZUTD-HRHGLFACSA-N 2 2 369.893 0.665 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001026915090 664277337 /nfs/dbraw/zinc/27/73/37/664277337.db2.gz LEIRQSZTKIFVCA-DVOMOZLQSA-N 2 2 369.897 0.731 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001026915090 664277339 /nfs/dbraw/zinc/27/73/39/664277339.db2.gz LEIRQSZTKIFVCA-DVOMOZLQSA-N 2 2 369.897 0.731 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnns2)O1 ZINC000960045195 674613924 /nfs/dbraw/zinc/61/39/24/674613924.db2.gz YEFBFXULKDDQKG-VNHYZAJKSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnns2)O1 ZINC000960045195 674613929 /nfs/dbraw/zinc/61/39/29/674613929.db2.gz YEFBFXULKDDQKG-VNHYZAJKSA-N 2 2 353.492 0.728 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978364081 664435819 /nfs/dbraw/zinc/43/58/19/664435819.db2.gz ZCRQXPNVUKBZTB-CSOUEMRRSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978364081 664435823 /nfs/dbraw/zinc/43/58/23/664435823.db2.gz ZCRQXPNVUKBZTB-CSOUEMRRSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978364081 664435825 /nfs/dbraw/zinc/43/58/25/664435825.db2.gz ZCRQXPNVUKBZTB-CSOUEMRRSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978364081 664435828 /nfs/dbraw/zinc/43/58/28/664435828.db2.gz ZCRQXPNVUKBZTB-CSOUEMRRSA-N 2 2 364.515 0.965 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001028629701 664930782 /nfs/dbraw/zinc/93/07/82/664930782.db2.gz QQVOXUWFNVPAOI-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)O1 ZINC001028629701 664930783 /nfs/dbraw/zinc/93/07/83/664930783.db2.gz QQVOXUWFNVPAOI-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)O1 ZINC001028629701 664930786 /nfs/dbraw/zinc/93/07/86/664930786.db2.gz QQVOXUWFNVPAOI-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)O1 ZINC001028629701 664930787 /nfs/dbraw/zinc/93/07/87/664930787.db2.gz QQVOXUWFNVPAOI-JKIFEVAISA-N 2 2 350.438 0.878 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629435 664931037 /nfs/dbraw/zinc/93/10/37/664931037.db2.gz LZKGSFJVSWOFQJ-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnsc1C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629435 664931038 /nfs/dbraw/zinc/93/10/38/664931038.db2.gz LZKGSFJVSWOFQJ-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnsc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629435 664931039 /nfs/dbraw/zinc/93/10/39/664931039.db2.gz LZKGSFJVSWOFQJ-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP Cc1nnsc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629435 664931041 /nfs/dbraw/zinc/93/10/41/664931041.db2.gz LZKGSFJVSWOFQJ-KWCYVHTRSA-N 2 2 353.492 0.504 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000895486534 665046095 /nfs/dbraw/zinc/04/60/95/665046095.db2.gz FJGBNHPYQYKRKE-ZFWWWQNUSA-N 2 2 366.487 0.750 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000895486534 665046097 /nfs/dbraw/zinc/04/60/97/665046097.db2.gz FJGBNHPYQYKRKE-ZFWWWQNUSA-N 2 2 366.487 0.750 20 0 FCADLP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C[C@]1(O)CCOC1 ZINC000905051492 666002496 /nfs/dbraw/zinc/00/24/96/666002496.db2.gz CTSUGWADMJAGHU-RTBURBONSA-N 2 2 350.459 0.511 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000907453081 666133134 /nfs/dbraw/zinc/13/31/34/666133134.db2.gz UBPOUBKDWSNBMC-SFHVURJKSA-N 2 2 353.555 0.545 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000908146315 666186806 /nfs/dbraw/zinc/18/68/06/666186806.db2.gz SJQVMLQSCRURAB-ZWKOTPCHSA-N 2 2 352.523 0.724 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765929 666496139 /nfs/dbraw/zinc/49/61/39/666496139.db2.gz VLFOBAWWNWDBPA-SJKOYZFVSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765929 666496142 /nfs/dbraw/zinc/49/61/42/666496142.db2.gz VLFOBAWWNWDBPA-SJKOYZFVSA-N 2 2 350.463 0.813 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172978603 666604177 /nfs/dbraw/zinc/60/41/77/666604177.db2.gz BWJVBQRGRMXUEG-OAHLLOKOSA-N 2 2 354.495 0.949 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@]3(C)CCCS3(=O)=O)c2)CC1 ZINC000913665414 666640366 /nfs/dbraw/zinc/64/03/66/666640366.db2.gz ILOQQNKXPUQPOC-MRXNPFEDSA-N 2 2 352.460 0.739 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913988883 666678529 /nfs/dbraw/zinc/67/85/29/666678529.db2.gz QIHWBVMQQMZPKW-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000913988883 666678530 /nfs/dbraw/zinc/67/85/30/666678530.db2.gz QIHWBVMQQMZPKW-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064453 666689184 /nfs/dbraw/zinc/68/91/84/666689184.db2.gz OUINIRNLZQMSPJ-INIZCTEOSA-N 2 2 353.511 0.522 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064453 666689185 /nfs/dbraw/zinc/68/91/85/666689185.db2.gz OUINIRNLZQMSPJ-INIZCTEOSA-N 2 2 353.511 0.522 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000732463722 666874690 /nfs/dbraw/zinc/87/46/90/666874690.db2.gz QQASVHFDIRRHEB-INIZCTEOSA-N 2 2 374.551 0.667 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734268097 666959775 /nfs/dbraw/zinc/95/97/75/666959775.db2.gz HXPLTFZQNGDVPQ-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCCC[C@H]2CCCO)CN1CC[NH+]1CCOCC1 ZINC000925445702 667093570 /nfs/dbraw/zinc/09/35/70/667093570.db2.gz FJFFNNINPYVXPU-BZSNNMDCSA-N 2 2 353.507 0.840 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918914106 667140968 /nfs/dbraw/zinc/14/09/68/667140968.db2.gz QUAFEOUPWHPROY-ILXRZTDVSA-N 2 2 352.479 0.796 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918914106 667140970 /nfs/dbraw/zinc/14/09/70/667140970.db2.gz QUAFEOUPWHPROY-ILXRZTDVSA-N 2 2 352.479 0.796 20 0 FCADLP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC000999495924 667242097 /nfs/dbraw/zinc/24/20/97/667242097.db2.gz MQIGNBTTYXHYEY-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC000999495924 667242100 /nfs/dbraw/zinc/24/21/00/667242100.db2.gz MQIGNBTTYXHYEY-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP CCn1nncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003140547 667598541 /nfs/dbraw/zinc/59/85/41/667598541.db2.gz SAYCGTTYAJYCGR-CZUORRHYSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003140547 667598542 /nfs/dbraw/zinc/59/85/42/667598542.db2.gz SAYCGTTYAJYCGR-CZUORRHYSA-N 2 2 350.467 0.098 20 0 FCADLP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003137546 667598731 /nfs/dbraw/zinc/59/87/31/667598731.db2.gz KAOMJVPBVKQCFZ-BXUZGUMPSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003137546 667598735 /nfs/dbraw/zinc/59/87/35/667598735.db2.gz KAOMJVPBVKQCFZ-BXUZGUMPSA-N 2 2 353.492 0.646 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)O1 ZINC001034676205 667763805 /nfs/dbraw/zinc/76/38/05/667763805.db2.gz XEKWLUHMQQRJEK-RGCMKSIDSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnsn3)CC2)O1 ZINC001034676205 667763807 /nfs/dbraw/zinc/76/38/07/667763807.db2.gz XEKWLUHMQQRJEK-RGCMKSIDSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)CCO2)O1 ZINC001035422974 667779427 /nfs/dbraw/zinc/77/94/27/667779427.db2.gz NXPHZHOPQCJDTF-DJIMGWMZSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](CCOC3CCC3)CCO2)O1 ZINC001035422974 667779429 /nfs/dbraw/zinc/77/94/29/667779429.db2.gz NXPHZHOPQCJDTF-DJIMGWMZSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](CCOC3CCC3)CCO2)O1 ZINC001035422974 667779431 /nfs/dbraw/zinc/77/94/31/667779431.db2.gz NXPHZHOPQCJDTF-DJIMGWMZSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)CCO2)O1 ZINC001035422974 667779434 /nfs/dbraw/zinc/77/94/34/667779434.db2.gz NXPHZHOPQCJDTF-DJIMGWMZSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCS(C)(=O)=O)C3)CC2)CC[N@@H+]1C ZINC001035711607 667790205 /nfs/dbraw/zinc/79/02/05/667790205.db2.gz YXULIFNMCACYAI-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[NH+](CCS(C)(=O)=O)C3)CC2)CC[N@H+]1C ZINC001035711607 667790206 /nfs/dbraw/zinc/79/02/06/667790206.db2.gz YXULIFNMCACYAI-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000923333297 667825889 /nfs/dbraw/zinc/82/58/89/667825889.db2.gz QGLJFJKTBWKBFF-JKSUJKDBSA-N 2 2 367.877 0.976 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000978960224 1186035313 /nfs/dbraw/zinc/03/53/13/1186035313.db2.gz ODLJQCQXLFPROZ-BKQXGZDCSA-N 2 2 359.474 0.864 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000979047777 1186050196 /nfs/dbraw/zinc/05/01/96/1186050196.db2.gz UCUILXPDVMADPI-QKPAOTATSA-N 2 2 371.485 0.630 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000979885372 1186136388 /nfs/dbraw/zinc/13/63/88/1186136388.db2.gz NTWLSVDKBVSEER-NXNVCVFFSA-N 2 2 361.490 0.704 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000979885372 1186136392 /nfs/dbraw/zinc/13/63/92/1186136392.db2.gz NTWLSVDKBVSEER-NXNVCVFFSA-N 2 2 361.490 0.704 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428191 1186175089 /nfs/dbraw/zinc/17/50/89/1186175089.db2.gz RFZZAADGUGENKA-GUDVDZBRSA-N 2 2 370.497 0.788 20 0 FCADLP NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428191 1186175093 /nfs/dbraw/zinc/17/50/93/1186175093.db2.gz RFZZAADGUGENKA-GUDVDZBRSA-N 2 2 370.497 0.788 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@@H+]1C ZINC000981196394 1186344699 /nfs/dbraw/zinc/34/46/99/1186344699.db2.gz CHURBVBHLKFMET-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)N3CCO[C@H](C)C3)CC2)CC[N@H+]1C ZINC000981196394 1186344703 /nfs/dbraw/zinc/34/47/03/1186344703.db2.gz CHURBVBHLKFMET-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCO[C@H](C)C3)CC2)CC[NH+]1C ZINC000981196394 1186344708 /nfs/dbraw/zinc/34/47/08/1186344708.db2.gz CHURBVBHLKFMET-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCO[C@H](C)C3)CC2)CC[NH+]1C ZINC000981196394 1186344715 /nfs/dbraw/zinc/34/47/15/1186344715.db2.gz CHURBVBHLKFMET-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981435271 1186417372 /nfs/dbraw/zinc/41/73/72/1186417372.db2.gz AGAFCLMKSJIXPK-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981435271 1186417379 /nfs/dbraw/zinc/41/73/79/1186417379.db2.gz AGAFCLMKSJIXPK-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981435271 1186417382 /nfs/dbraw/zinc/41/73/82/1186417382.db2.gz AGAFCLMKSJIXPK-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC000981435271 1186417387 /nfs/dbraw/zinc/41/73/87/1186417387.db2.gz AGAFCLMKSJIXPK-NVXWUHKLSA-N 2 2 362.474 0.844 20 0 FCADLP CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+](C)CC1 ZINC000893699479 1186664914 /nfs/dbraw/zinc/66/49/14/1186664914.db2.gz NAHDMLWDYDKDHP-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+](C)CC1 ZINC000893699479 1186664920 /nfs/dbraw/zinc/66/49/20/1186664920.db2.gz NAHDMLWDYDKDHP-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)[N@H+](C)C1 ZINC000332783516 1187536677 /nfs/dbraw/zinc/53/66/77/1187536677.db2.gz ZPBVOPGVNDJWKN-VJANTYMQSA-N 2 2 361.486 0.705 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)[N@@H+](C)C1 ZINC000332783516 1187536681 /nfs/dbraw/zinc/53/66/81/1187536681.db2.gz ZPBVOPGVNDJWKN-VJANTYMQSA-N 2 2 361.486 0.705 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)[NH+](C)C1 ZINC000332783516 1187536685 /nfs/dbraw/zinc/53/66/85/1187536685.db2.gz ZPBVOPGVNDJWKN-VJANTYMQSA-N 2 2 361.486 0.705 20 0 FCADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)[NH+](C)C1 ZINC000332783516 1187536689 /nfs/dbraw/zinc/53/66/89/1187536689.db2.gz ZPBVOPGVNDJWKN-VJANTYMQSA-N 2 2 361.486 0.705 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643939 1187568382 /nfs/dbraw/zinc/56/83/82/1187568382.db2.gz QFBQPIBRXPJTRI-RCCFBDPRSA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643939 1187568389 /nfs/dbraw/zinc/56/83/89/1187568389.db2.gz QFBQPIBRXPJTRI-RCCFBDPRSA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643939 1187568399 /nfs/dbraw/zinc/56/83/99/1187568399.db2.gz QFBQPIBRXPJTRI-RCCFBDPRSA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643939 1187568409 /nfs/dbraw/zinc/56/84/09/1187568409.db2.gz QFBQPIBRXPJTRI-RCCFBDPRSA-N 2 2 361.490 0.363 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000549918160 1187646688 /nfs/dbraw/zinc/64/66/88/1187646688.db2.gz IVPJWNMXCBNPFN-UHFFFAOYSA-N 2 2 370.457 0.565 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462904 1187647797 /nfs/dbraw/zinc/64/77/97/1187647797.db2.gz FXAVGRFZQRFLAB-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462904 1187647800 /nfs/dbraw/zinc/64/78/00/1187647800.db2.gz FXAVGRFZQRFLAB-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462904 1187647804 /nfs/dbraw/zinc/64/78/04/1187647804.db2.gz FXAVGRFZQRFLAB-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087462904 1187647809 /nfs/dbraw/zinc/64/78/09/1187647809.db2.gz FXAVGRFZQRFLAB-KURKYZTESA-N 2 2 365.449 0.423 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373144 1187694794 /nfs/dbraw/zinc/69/47/94/1187694794.db2.gz TVRQWTGAPAYPQS-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373144 1187694800 /nfs/dbraw/zinc/69/48/00/1187694800.db2.gz TVRQWTGAPAYPQS-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373144 1187694804 /nfs/dbraw/zinc/69/48/04/1187694804.db2.gz TVRQWTGAPAYPQS-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001083373144 1187694806 /nfs/dbraw/zinc/69/48/06/1187694806.db2.gz TVRQWTGAPAYPQS-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001028605036 1187747096 /nfs/dbraw/zinc/74/70/96/1187747096.db2.gz JPQOHVUFLRLHJB-BZUAXINKSA-N 2 2 355.442 0.850 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001028605036 1187747103 /nfs/dbraw/zinc/74/71/03/1187747103.db2.gz JPQOHVUFLRLHJB-BZUAXINKSA-N 2 2 355.442 0.850 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001028605036 1187747108 /nfs/dbraw/zinc/74/71/08/1187747108.db2.gz JPQOHVUFLRLHJB-BZUAXINKSA-N 2 2 355.442 0.850 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001028605036 1187747113 /nfs/dbraw/zinc/74/71/13/1187747113.db2.gz JPQOHVUFLRLHJB-BZUAXINKSA-N 2 2 355.442 0.850 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607186 1187748618 /nfs/dbraw/zinc/74/86/18/1187748618.db2.gz LAYNNUWYZYWYAA-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607186 1187748621 /nfs/dbraw/zinc/74/86/21/1187748621.db2.gz LAYNNUWYZYWYAA-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607186 1187748626 /nfs/dbraw/zinc/74/86/26/1187748626.db2.gz LAYNNUWYZYWYAA-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607186 1187748632 /nfs/dbraw/zinc/74/86/32/1187748632.db2.gz LAYNNUWYZYWYAA-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629023 1187756640 /nfs/dbraw/zinc/75/66/40/1187756640.db2.gz DRSDODCGLNTCGV-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629023 1187756650 /nfs/dbraw/zinc/75/66/50/1187756650.db2.gz DRSDODCGLNTCGV-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629023 1187756655 /nfs/dbraw/zinc/75/66/55/1187756655.db2.gz DRSDODCGLNTCGV-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629023 1187756659 /nfs/dbraw/zinc/75/66/59/1187756659.db2.gz DRSDODCGLNTCGV-IIAWOOMASA-N 2 2 363.462 0.142 20 0 FCADLP CC(C)n1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629703 1187756759 /nfs/dbraw/zinc/75/67/59/1187756759.db2.gz QSCLIJTVSMBBAX-HLLBOEOZSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629703 1187756766 /nfs/dbraw/zinc/75/67/66/1187756766.db2.gz QSCLIJTVSMBBAX-HLLBOEOZSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1cc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629703 1187756771 /nfs/dbraw/zinc/75/67/71/1187756771.db2.gz QSCLIJTVSMBBAX-HLLBOEOZSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)n1cc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001028629703 1187756775 /nfs/dbraw/zinc/75/67/75/1187756775.db2.gz QSCLIJTVSMBBAX-HLLBOEOZSA-N 2 2 364.494 0.516 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000983226726 1187854348 /nfs/dbraw/zinc/85/43/48/1187854348.db2.gz CDILIWYIFUGKDI-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000983226726 1187854352 /nfs/dbraw/zinc/85/43/52/1187854352.db2.gz CDILIWYIFUGKDI-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP CC[N@H+](C)CC(=O)N1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001270180038 1188042093 /nfs/dbraw/zinc/04/20/93/1188042093.db2.gz SNMOVNPHDIDBRS-SFHVURJKSA-N 2 2 361.446 0.240 20 0 FCADLP CC[N@@H+](C)CC(=O)N1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001270180038 1188042097 /nfs/dbraw/zinc/04/20/97/1188042097.db2.gz SNMOVNPHDIDBRS-SFHVURJKSA-N 2 2 361.446 0.240 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000549991325 1188056994 /nfs/dbraw/zinc/05/69/94/1188056994.db2.gz MRUXXRSLDVSCQK-UHFFFAOYSA-N 2 2 369.469 0.801 20 0 FCADLP C[N@@H+]1CCN(C(=O)c2ccc3[nH]c(N)[nH+]c3c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001270272376 1188073368 /nfs/dbraw/zinc/07/33/68/1188073368.db2.gz NCIVYGIVVSPFFZ-GOSISDBHSA-N 2 2 356.430 0.572 20 0 FCADLP C[N@H+]1CCN(C(=O)c2ccc3[nH]c(N)[nH+]c3c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001270272376 1188073375 /nfs/dbraw/zinc/07/33/75/1188073375.db2.gz NCIVYGIVVSPFFZ-GOSISDBHSA-N 2 2 356.430 0.572 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001270334341 1188099486 /nfs/dbraw/zinc/09/94/86/1188099486.db2.gz HVXJRVPDQLRZCU-SFHVURJKSA-N 2 2 361.446 0.272 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)C1=O ZINC001270369818 1188123330 /nfs/dbraw/zinc/12/33/30/1188123330.db2.gz CNHYZZQCCQATQU-KXBFYZLASA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O)[NH+]1CCCC1 ZINC001270490758 1188171731 /nfs/dbraw/zinc/17/17/31/1188171731.db2.gz RBMBGYSDTINTBK-KXBFYZLASA-N 2 2 359.474 0.998 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000550309398 1188315596 /nfs/dbraw/zinc/31/55/96/1188315596.db2.gz VMXMDMMONHPAOK-ZBFHGGJFSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000550309398 1188315601 /nfs/dbraw/zinc/31/56/01/1188315601.db2.gz VMXMDMMONHPAOK-ZBFHGGJFSA-N 2 2 359.474 0.897 20 0 FCADLP CCc1noc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012428 1189372487 /nfs/dbraw/zinc/37/24/87/1189372487.db2.gz FWMAIOBTQFCEOF-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1noc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012428 1189372489 /nfs/dbraw/zinc/37/24/89/1189372489.db2.gz FWMAIOBTQFCEOF-XLWJZTARSA-N 2 2 365.478 0.897 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(OC)nc1 ZINC001087529431 1189383011 /nfs/dbraw/zinc/38/30/11/1189383011.db2.gz GWGWFVSWVZNJAW-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(OC)nc1 ZINC001087529431 1189383017 /nfs/dbraw/zinc/38/30/17/1189383017.db2.gz GWGWFVSWVZNJAW-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(OC)nc1 ZINC001087529431 1189383025 /nfs/dbraw/zinc/38/30/25/1189383025.db2.gz GWGWFVSWVZNJAW-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(OC)nc1 ZINC001087529431 1189383032 /nfs/dbraw/zinc/38/30/32/1189383032.db2.gz GWGWFVSWVZNJAW-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550449392 1189442792 /nfs/dbraw/zinc/44/27/92/1189442792.db2.gz HIEIIBOLTFNRRN-UHFFFAOYSA-N 2 2 365.478 0.349 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001029403584 1189607005 /nfs/dbraw/zinc/60/70/05/1189607005.db2.gz MNIUDUCTTATUTB-XDNAFOTISA-N 2 2 369.481 0.901 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001029403584 1189607021 /nfs/dbraw/zinc/60/70/21/1189607021.db2.gz MNIUDUCTTATUTB-XDNAFOTISA-N 2 2 369.481 0.901 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087622250 1189672269 /nfs/dbraw/zinc/67/22/69/1189672269.db2.gz BLKAXIYCCJROCE-XLNGHYISSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087622250 1189672274 /nfs/dbraw/zinc/67/22/74/1189672274.db2.gz BLKAXIYCCJROCE-XLNGHYISSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087622250 1189672282 /nfs/dbraw/zinc/67/22/82/1189672282.db2.gz BLKAXIYCCJROCE-XLNGHYISSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087622250 1189672289 /nfs/dbraw/zinc/67/22/89/1189672289.db2.gz BLKAXIYCCJROCE-XLNGHYISSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087684226 1189741587 /nfs/dbraw/zinc/74/15/87/1189741587.db2.gz NBSKWGHFBCZNPC-UONOGXRCSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087684226 1189741604 /nfs/dbraw/zinc/74/16/04/1189741604.db2.gz NBSKWGHFBCZNPC-UONOGXRCSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1cnn(C)c1 ZINC001087700216 1189776245 /nfs/dbraw/zinc/77/62/45/1189776245.db2.gz FIQOSZWVWRWGNH-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1cnn(C)c1 ZINC001087700216 1189776266 /nfs/dbraw/zinc/77/62/66/1189776266.db2.gz FIQOSZWVWRWGNH-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1cnn(C)c1 ZINC001087700216 1189776286 /nfs/dbraw/zinc/77/62/86/1189776286.db2.gz FIQOSZWVWRWGNH-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1cnn(C)c1 ZINC001087700216 1189776307 /nfs/dbraw/zinc/77/63/07/1189776307.db2.gz FIQOSZWVWRWGNH-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4cn5c([nH+]4)CCCC5)[C@@H]3C2)C1=O ZINC001075819012 1189818089 /nfs/dbraw/zinc/81/80/89/1189818089.db2.gz SFNUXSXTILRAMQ-BHYGNILZSA-N 2 2 371.485 0.525 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC000984353647 1189822535 /nfs/dbraw/zinc/82/25/35/1189822535.db2.gz VZPUQNZIFLWNTE-BZUAXINKSA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC000984353647 1189822536 /nfs/dbraw/zinc/82/25/36/1189822536.db2.gz VZPUQNZIFLWNTE-BZUAXINKSA-N 2 2 363.462 0.052 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001087797738 1189828547 /nfs/dbraw/zinc/82/85/47/1189828547.db2.gz GJJRJGOCTVXHGB-CWRNSKLLSA-N 2 2 357.462 0.711 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC001087797738 1189828548 /nfs/dbraw/zinc/82/85/48/1189828548.db2.gz GJJRJGOCTVXHGB-CWRNSKLLSA-N 2 2 357.462 0.711 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001087847813 1189851700 /nfs/dbraw/zinc/85/17/00/1189851700.db2.gz SEONWAZRJUYOCW-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC001087847813 1189851701 /nfs/dbraw/zinc/85/17/01/1189851701.db2.gz SEONWAZRJUYOCW-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895463696 1189859264 /nfs/dbraw/zinc/85/92/64/1189859264.db2.gz ANESIKBLOAQPNC-MOPGFXCFSA-N 2 2 359.470 0.724 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895463696 1189859265 /nfs/dbraw/zinc/85/92/65/1189859265.db2.gz ANESIKBLOAQPNC-MOPGFXCFSA-N 2 2 359.470 0.724 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908922 1189892732 /nfs/dbraw/zinc/89/27/32/1189892732.db2.gz RNASCMHEFVRXDY-PMPSAXMXSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908922 1189892734 /nfs/dbraw/zinc/89/27/34/1189892734.db2.gz RNASCMHEFVRXDY-PMPSAXMXSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908922 1189892735 /nfs/dbraw/zinc/89/27/35/1189892735.db2.gz RNASCMHEFVRXDY-PMPSAXMXSA-N 2 2 361.494 0.629 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908922 1189892737 /nfs/dbraw/zinc/89/27/37/1189892737.db2.gz RNASCMHEFVRXDY-PMPSAXMXSA-N 2 2 361.494 0.629 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909015 1189895190 /nfs/dbraw/zinc/89/51/90/1189895190.db2.gz VNBMNCMYTPRKDA-ILXRZTDVSA-N 2 2 361.446 0.488 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909015 1189895192 /nfs/dbraw/zinc/89/51/92/1189895192.db2.gz VNBMNCMYTPRKDA-ILXRZTDVSA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909015 1189895198 /nfs/dbraw/zinc/89/51/98/1189895198.db2.gz VNBMNCMYTPRKDA-ILXRZTDVSA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909015 1189895199 /nfs/dbraw/zinc/89/51/99/1189895199.db2.gz VNBMNCMYTPRKDA-ILXRZTDVSA-N 2 2 361.446 0.488 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563296 1190093795 /nfs/dbraw/zinc/09/37/95/1190093795.db2.gz JWMYYJNVTYOICT-VDGAXYAQSA-N 2 2 374.529 0.935 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563296 1190093797 /nfs/dbraw/zinc/09/37/97/1190093797.db2.gz JWMYYJNVTYOICT-VDGAXYAQSA-N 2 2 374.529 0.935 20 0 FCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087988693 1190134522 /nfs/dbraw/zinc/13/45/22/1190134522.db2.gz VRCKMFMKFNFKGE-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087988693 1190134525 /nfs/dbraw/zinc/13/45/25/1190134525.db2.gz VRCKMFMKFNFKGE-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001087988693 1190134531 /nfs/dbraw/zinc/13/45/31/1190134531.db2.gz VRCKMFMKFNFKGE-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001087988693 1190134536 /nfs/dbraw/zinc/13/45/36/1190134536.db2.gz VRCKMFMKFNFKGE-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989015 1190134564 /nfs/dbraw/zinc/13/45/64/1190134564.db2.gz LJWYRSCUUWPHGL-HLLBOEOZSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989015 1190134567 /nfs/dbraw/zinc/13/45/67/1190134567.db2.gz LJWYRSCUUWPHGL-HLLBOEOZSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989015 1190134572 /nfs/dbraw/zinc/13/45/72/1190134572.db2.gz LJWYRSCUUWPHGL-HLLBOEOZSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087989015 1190134577 /nfs/dbraw/zinc/13/45/77/1190134577.db2.gz LJWYRSCUUWPHGL-HLLBOEOZSA-N 2 2 369.473 0.902 20 0 FCADLP CCn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC000984819279 1190159372 /nfs/dbraw/zinc/15/93/72/1190159372.db2.gz VOQJNYVVSGCVIQ-RRCSTGOVSA-N 2 2 357.462 0.820 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999435 1190169442 /nfs/dbraw/zinc/16/94/42/1190169442.db2.gz LLDYGPBHCBLPJD-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999435 1190169445 /nfs/dbraw/zinc/16/94/45/1190169445.db2.gz LLDYGPBHCBLPJD-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999435 1190169447 /nfs/dbraw/zinc/16/94/47/1190169447.db2.gz LLDYGPBHCBLPJD-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999435 1190169450 /nfs/dbraw/zinc/16/94/50/1190169450.db2.gz LLDYGPBHCBLPJD-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087999741 1190170442 /nfs/dbraw/zinc/17/04/42/1190170442.db2.gz YBJUNWNGSDSEIY-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087999741 1190170446 /nfs/dbraw/zinc/17/04/46/1190170446.db2.gz YBJUNWNGSDSEIY-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087999741 1190170449 /nfs/dbraw/zinc/17/04/49/1190170449.db2.gz YBJUNWNGSDSEIY-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087999741 1190170454 /nfs/dbraw/zinc/17/04/54/1190170454.db2.gz YBJUNWNGSDSEIY-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)c[nH+]1 ZINC001088009569 1190205191 /nfs/dbraw/zinc/20/51/91/1190205191.db2.gz LESFKSHXRTUCAH-SJORKVTESA-N 2 2 371.489 0.999 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)c[nH+]1 ZINC001088009569 1190205194 /nfs/dbraw/zinc/20/51/94/1190205194.db2.gz LESFKSHXRTUCAH-SJORKVTESA-N 2 2 371.489 0.999 20 0 FCADLP Cc1ccnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011958 1190210992 /nfs/dbraw/zinc/21/09/92/1190210992.db2.gz LYQAMRNFZUOKKN-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ccnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011958 1190210996 /nfs/dbraw/zinc/21/09/96/1190210996.db2.gz LYQAMRNFZUOKKN-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ccnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011958 1190210998 /nfs/dbraw/zinc/21/09/98/1190210998.db2.gz LYQAMRNFZUOKKN-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ccnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011958 1190211008 /nfs/dbraw/zinc/21/10/08/1190211008.db2.gz LYQAMRNFZUOKKN-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018824 1190230978 /nfs/dbraw/zinc/23/09/78/1190230978.db2.gz MSDSFQRGKYPJGL-ZACQAIPSSA-N 2 2 371.485 0.458 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018824 1190230982 /nfs/dbraw/zinc/23/09/82/1190230982.db2.gz MSDSFQRGKYPJGL-ZACQAIPSSA-N 2 2 371.485 0.458 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021555 1190240163 /nfs/dbraw/zinc/24/01/63/1190240163.db2.gz RRFJXSSHUNQBDK-WWGRRREGSA-N 2 2 363.462 0.394 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021555 1190240171 /nfs/dbraw/zinc/24/01/71/1190240171.db2.gz RRFJXSSHUNQBDK-WWGRRREGSA-N 2 2 363.462 0.394 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021631 1190240626 /nfs/dbraw/zinc/24/06/26/1190240626.db2.gz WPVRFKBSDOWJEQ-MCIONIFRSA-N 2 2 363.462 0.265 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021631 1190240632 /nfs/dbraw/zinc/24/06/32/1190240632.db2.gz WPVRFKBSDOWJEQ-MCIONIFRSA-N 2 2 363.462 0.265 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cn1cc[nH+]c1 ZINC000984914384 1190265994 /nfs/dbraw/zinc/26/59/94/1190265994.db2.gz LZULFHUMBAFHAJ-YESZJQIVSA-N 2 2 359.474 0.721 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088059214 1190329079 /nfs/dbraw/zinc/32/90/79/1190329079.db2.gz OENRNAAAXOVNIJ-MSOLQXFVSA-N 2 2 371.489 0.962 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088059214 1190329088 /nfs/dbraw/zinc/32/90/88/1190329088.db2.gz OENRNAAAXOVNIJ-MSOLQXFVSA-N 2 2 371.489 0.962 20 0 FCADLP CO[C@@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001271288884 1190386665 /nfs/dbraw/zinc/38/66/65/1190386665.db2.gz ABOGEWVRGUDNMH-NXHRZFHOSA-N 2 2 361.486 0.877 20 0 FCADLP CO[C@@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001271288884 1190386671 /nfs/dbraw/zinc/38/66/71/1190386671.db2.gz ABOGEWVRGUDNMH-NXHRZFHOSA-N 2 2 361.486 0.877 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124454 1190618205 /nfs/dbraw/zinc/61/82/05/1190618205.db2.gz MTYHRDPPZNRMDV-XHSDSOJGSA-N 2 2 357.462 0.943 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124454 1190618207 /nfs/dbraw/zinc/61/82/07/1190618207.db2.gz MTYHRDPPZNRMDV-XHSDSOJGSA-N 2 2 357.462 0.943 20 0 FCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126373 1190624777 /nfs/dbraw/zinc/62/47/77/1190624777.db2.gz BACKOUMACAIFCL-KURKYZTESA-N 2 2 365.518 0.793 20 0 FCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088126373 1190624788 /nfs/dbraw/zinc/62/47/88/1190624788.db2.gz BACKOUMACAIFCL-KURKYZTESA-N 2 2 365.518 0.793 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000985163546 1190659957 /nfs/dbraw/zinc/65/99/57/1190659957.db2.gz DWZUXBJLAUKBCC-LSDHHAIUSA-N 2 2 359.474 0.934 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001088335009 1190750833 /nfs/dbraw/zinc/75/08/33/1190750833.db2.gz UJMLOTWYLNCDGV-FVQBIDKESA-N 2 2 364.494 0.693 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001088335009 1190750837 /nfs/dbraw/zinc/75/08/37/1190750837.db2.gz UJMLOTWYLNCDGV-FVQBIDKESA-N 2 2 364.494 0.693 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986019382 1190867242 /nfs/dbraw/zinc/86/72/42/1190867242.db2.gz DZKKDXVMFRHJIQ-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986019382 1190867244 /nfs/dbraw/zinc/86/72/44/1190867244.db2.gz DZKKDXVMFRHJIQ-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(C[C@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757036 1224114056 /nfs/dbraw/zinc/11/40/56/1224114056.db2.gz MWZCKPHYGINRII-LPHOPBHVSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C[C@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757036 1224114058 /nfs/dbraw/zinc/11/40/58/1224114058.db2.gz MWZCKPHYGINRII-LPHOPBHVSA-N 2 2 367.490 0.535 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986137528 1190904100 /nfs/dbraw/zinc/90/41/00/1190904100.db2.gz RKEOXXIIRLXITG-CVEARBPZSA-N 2 2 370.457 0.854 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001217595081 1224115809 /nfs/dbraw/zinc/11/58/09/1224115809.db2.gz KRTCCQHQWJUSQF-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001217595081 1224115810 /nfs/dbraw/zinc/11/58/10/1224115810.db2.gz KRTCCQHQWJUSQF-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001217595081 1224115811 /nfs/dbraw/zinc/11/58/11/1224115811.db2.gz KRTCCQHQWJUSQF-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CCC4)C[C@@H]32)C1 ZINC001217595081 1224115813 /nfs/dbraw/zinc/11/58/13/1224115813.db2.gz KRTCCQHQWJUSQF-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000986283159 1190944748 /nfs/dbraw/zinc/94/47/48/1190944748.db2.gz MJVXIPDUFHRMHT-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000986283159 1190944753 /nfs/dbraw/zinc/94/47/53/1190944753.db2.gz MJVXIPDUFHRMHT-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986283159 1190944759 /nfs/dbraw/zinc/94/47/59/1190944759.db2.gz MJVXIPDUFHRMHT-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986283159 1190944765 /nfs/dbraw/zinc/94/47/65/1190944765.db2.gz MJVXIPDUFHRMHT-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001272022061 1190953938 /nfs/dbraw/zinc/95/39/38/1190953938.db2.gz LNGZCAYAEDEZML-IDCJVQTKSA-N 2 2 359.474 0.624 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1)[NH+](C)C ZINC000986437955 1190993997 /nfs/dbraw/zinc/99/39/97/1190993997.db2.gz PLCBDVRWALRCGY-IXDOHACOSA-N 2 2 361.490 0.920 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000986438433 1190995101 /nfs/dbraw/zinc/99/51/01/1190995101.db2.gz WNGQURYFZDBIDT-SJORKVTESA-N 2 2 370.457 0.785 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1)C1CC1 ZINC000986571007 1191041323 /nfs/dbraw/zinc/04/13/23/1191041323.db2.gz FELVJOVTQQGTAY-VKJFTORMSA-N 2 2 359.474 0.599 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000986576028 1191043506 /nfs/dbraw/zinc/04/35/06/1191043506.db2.gz HFTBOJLAGLVBQE-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986576751 1191044700 /nfs/dbraw/zinc/04/47/00/1191044700.db2.gz KDJLXWITXSIDGE-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986576751 1191044704 /nfs/dbraw/zinc/04/47/04/1191044704.db2.gz KDJLXWITXSIDGE-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986577576 1191045184 /nfs/dbraw/zinc/04/51/84/1191045184.db2.gz PWUYMIULRUTWNX-LVQVYYBASA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)CC[N@H+]1C ZINC000986577576 1191045186 /nfs/dbraw/zinc/04/51/86/1191045186.db2.gz PWUYMIULRUTWNX-LVQVYYBASA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001059730541 1191050593 /nfs/dbraw/zinc/05/05/93/1191050593.db2.gz JINDOHCSFVXUBO-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001059730541 1191050599 /nfs/dbraw/zinc/05/05/99/1191050599.db2.gz JINDOHCSFVXUBO-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213163 1224147455 /nfs/dbraw/zinc/14/74/55/1224147455.db2.gz CNEYWHISRSWUTR-DLBZAZTESA-N 2 2 366.462 0.686 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001218213163 1224147459 /nfs/dbraw/zinc/14/74/59/1224147459.db2.gz CNEYWHISRSWUTR-DLBZAZTESA-N 2 2 366.462 0.686 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCC[C@@H]([NH2+]CCOCCO)C1 ZINC001691621549 1193807493 /nfs/dbraw/zinc/80/74/93/1193807493.db2.gz XVZLRWJLXNEYKZ-BZUAXINKSA-N 2 2 350.463 0.883 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCOCCO)C1 ZINC001691621549 1193807494 /nfs/dbraw/zinc/80/74/94/1193807494.db2.gz XVZLRWJLXNEYKZ-BZUAXINKSA-N 2 2 350.463 0.883 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691621481 1193807506 /nfs/dbraw/zinc/80/75/06/1193807506.db2.gz WMROHMZHHGUFRR-RRFJBIMHSA-N 2 2 368.503 0.919 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075965837 1193885097 /nfs/dbraw/zinc/88/50/97/1193885097.db2.gz FTFFFJCTEQGRSR-HRCADAONSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075965837 1193885100 /nfs/dbraw/zinc/88/51/00/1193885100.db2.gz FTFFFJCTEQGRSR-HRCADAONSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075968542 1193886335 /nfs/dbraw/zinc/88/63/35/1193886335.db2.gz GVOGBONLDXBKAW-LZLYRXPVSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075968542 1193886339 /nfs/dbraw/zinc/88/63/39/1193886339.db2.gz GVOGBONLDXBKAW-LZLYRXPVSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000552135589 1193905537 /nfs/dbraw/zinc/90/55/37/1193905537.db2.gz FHGGOINMRPYWCG-LJQANCHMSA-N 2 2 374.529 0.983 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000552135589 1193905544 /nfs/dbraw/zinc/90/55/44/1193905544.db2.gz FHGGOINMRPYWCG-LJQANCHMSA-N 2 2 374.529 0.983 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)n1 ZINC001218581680 1224178160 /nfs/dbraw/zinc/17/81/60/1224178160.db2.gz HGNGSCCSDIJHNF-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)n1 ZINC001218581680 1224178164 /nfs/dbraw/zinc/17/81/64/1224178164.db2.gz HGNGSCCSDIJHNF-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668028 1193945931 /nfs/dbraw/zinc/94/59/31/1193945931.db2.gz VYRLMNLUCCVZII-FPAYPSAMSA-N 2 2 364.490 0.311 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668031 1193946395 /nfs/dbraw/zinc/94/63/95/1193946395.db2.gz VYRLMNLUCCVZII-ZAWLATJESA-N 2 2 364.490 0.311 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@@H]21)[NH+](CC)CC ZINC001218624388 1224184557 /nfs/dbraw/zinc/18/45/57/1224184557.db2.gz OXSKCCFZESUESW-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@H]21)[NH+](CC)CC ZINC001218624388 1224184559 /nfs/dbraw/zinc/18/45/59/1224184559.db2.gz OXSKCCFZESUESW-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)ccn2)c1 ZINC001218612808 1224182475 /nfs/dbraw/zinc/18/24/75/1224182475.db2.gz GWOYDLZGPHUCNM-HNNXBMFYSA-N 3 2 355.446 0.415 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC([NH+]2CCCC2)C1 ZINC000898609454 1194051391 /nfs/dbraw/zinc/05/13/91/1194051391.db2.gz JTQHMRRZFLCEQX-UHFFFAOYSA-N 2 2 371.485 0.817 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cn1 ZINC000842161851 1194071573 /nfs/dbraw/zinc/07/15/73/1194071573.db2.gz FZESAEGEEKJLMW-STQMWFEESA-N 2 2 356.430 0.401 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105674285 1194087952 /nfs/dbraw/zinc/08/79/52/1194087952.db2.gz VLZBGYMHIBLREK-ZAWLATJESA-N 2 2 364.490 0.886 20 0 FCADLP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218660931 1224192040 /nfs/dbraw/zinc/19/20/40/1224192040.db2.gz PEEMILMSRXWAIZ-VFVRVIDISA-N 2 2 370.413 0.273 20 0 FCADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669804 1224192964 /nfs/dbraw/zinc/19/29/64/1224192964.db2.gz XBXKMBQHINUPIO-KRWDZBQOSA-N 3 2 366.510 0.649 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524225 1194156628 /nfs/dbraw/zinc/15/66/28/1194156628.db2.gz MTEUIQPJYSEAFY-BBWFWOEESA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524225 1194156636 /nfs/dbraw/zinc/15/66/36/1194156636.db2.gz MTEUIQPJYSEAFY-BBWFWOEESA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524225 1194156641 /nfs/dbraw/zinc/15/66/41/1194156641.db2.gz MTEUIQPJYSEAFY-BBWFWOEESA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524225 1194156649 /nfs/dbraw/zinc/15/66/49/1194156649.db2.gz MTEUIQPJYSEAFY-BBWFWOEESA-N 2 2 366.506 0.031 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)N(c1ncccc1N)C1CC[NH2+]CC1)C[NH2+]C2 ZINC001218695196 1224197711 /nfs/dbraw/zinc/19/77/11/1224197711.db2.gz PGJWBDNHEYDMLV-CYBMUJFWSA-N 2 2 370.461 0.247 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001076051303 1194268916 /nfs/dbraw/zinc/26/89/16/1194268916.db2.gz PLVRVTISRUZRGL-MAUKXSAKSA-N 2 2 369.473 0.586 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001076051303 1194268924 /nfs/dbraw/zinc/26/89/24/1194268924.db2.gz PLVRVTISRUZRGL-MAUKXSAKSA-N 2 2 369.473 0.586 20 0 FCADLP CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001218736455 1224207909 /nfs/dbraw/zinc/20/79/09/1224207909.db2.gz ZBGAUOOZPNNUKV-UHFFFAOYSA-N 2 2 362.478 0.469 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076504894 1194528872 /nfs/dbraw/zinc/52/88/72/1194528872.db2.gz XIIQRXODQHMERE-YQQAZPJKSA-N 2 2 359.474 0.710 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076504894 1194528881 /nfs/dbraw/zinc/52/88/81/1194528881.db2.gz XIIQRXODQHMERE-YQQAZPJKSA-N 2 2 359.474 0.710 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076504856 1194529066 /nfs/dbraw/zinc/52/90/66/1194529066.db2.gz VPLIUSLOJMGVJP-OFQRWUPVSA-N 2 2 355.446 0.572 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076504856 1194529070 /nfs/dbraw/zinc/52/90/70/1194529070.db2.gz VPLIUSLOJMGVJP-OFQRWUPVSA-N 2 2 355.446 0.572 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076517492 1194532576 /nfs/dbraw/zinc/53/25/76/1194532576.db2.gz NHVVAWVSDDCGQL-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076517492 1194532581 /nfs/dbraw/zinc/53/25/81/1194532581.db2.gz NHVVAWVSDDCGQL-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC001076517778 1194532829 /nfs/dbraw/zinc/53/28/29/1194532829.db2.gz WWSSNZSHTFQCIW-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1)C1CC1 ZINC001076517778 1194532833 /nfs/dbraw/zinc/53/28/33/1194532833.db2.gz WWSSNZSHTFQCIW-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789270 1224223230 /nfs/dbraw/zinc/22/32/30/1224223230.db2.gz DSQXGCMZZSNRPJ-HRCADAONSA-N 2 2 363.462 0.147 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C1 ZINC001218789270 1224223251 /nfs/dbraw/zinc/22/32/51/1224223251.db2.gz DSQXGCMZZSNRPJ-HRCADAONSA-N 2 2 363.462 0.147 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569182 1194573867 /nfs/dbraw/zinc/57/38/67/1194573867.db2.gz MTUZWQVUMZDSGN-ZMSDIMECSA-N 2 2 358.490 0.906 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569182 1194573871 /nfs/dbraw/zinc/57/38/71/1194573871.db2.gz MTUZWQVUMZDSGN-ZMSDIMECSA-N 2 2 358.490 0.906 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569182 1194573874 /nfs/dbraw/zinc/57/38/74/1194573874.db2.gz MTUZWQVUMZDSGN-ZMSDIMECSA-N 2 2 358.490 0.906 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1C1CC1 ZINC001076569182 1194573879 /nfs/dbraw/zinc/57/38/79/1194573879.db2.gz MTUZWQVUMZDSGN-ZMSDIMECSA-N 2 2 358.490 0.906 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]21 ZINC001076576292 1194582408 /nfs/dbraw/zinc/58/24/08/1194582408.db2.gz DYEUYLXTIVFNND-XYJFISCASA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]21 ZINC001076576292 1194582410 /nfs/dbraw/zinc/58/24/10/1194582410.db2.gz DYEUYLXTIVFNND-XYJFISCASA-N 2 2 361.490 0.421 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001076576461 1194583613 /nfs/dbraw/zinc/58/36/13/1194583613.db2.gz MOEFGKBGGVAUHH-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001076576461 1194583619 /nfs/dbraw/zinc/58/36/19/1194583619.db2.gz MOEFGKBGGVAUHH-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218855639 1224241166 /nfs/dbraw/zinc/24/11/66/1224241166.db2.gz LMRYQHCMIYHVKT-QGZVFWFLSA-N 3 2 372.473 0.990 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC001218874531 1224243476 /nfs/dbraw/zinc/24/34/76/1224243476.db2.gz YBNQOBSIUWAHDJ-QGZVFWFLSA-N 2 2 353.426 0.834 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805852 1195026358 /nfs/dbraw/zinc/02/63/58/1195026358.db2.gz XDFQCZNOWIJLPZ-KZNAEPCWSA-N 2 2 359.470 0.420 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805852 1195026363 /nfs/dbraw/zinc/02/63/63/1195026363.db2.gz XDFQCZNOWIJLPZ-KZNAEPCWSA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805852 1195026368 /nfs/dbraw/zinc/02/63/68/1195026368.db2.gz XDFQCZNOWIJLPZ-KZNAEPCWSA-N 2 2 359.470 0.420 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001076805852 1195026373 /nfs/dbraw/zinc/02/63/73/1195026373.db2.gz XDFQCZNOWIJLPZ-KZNAEPCWSA-N 2 2 359.470 0.420 20 0 FCADLP CCc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076838658 1195043978 /nfs/dbraw/zinc/04/39/78/1195043978.db2.gz HKGCDHMWKMBHKD-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076838658 1195043982 /nfs/dbraw/zinc/04/39/82/1195043982.db2.gz HKGCDHMWKMBHKD-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076838658 1195043985 /nfs/dbraw/zinc/04/39/85/1195043985.db2.gz HKGCDHMWKMBHKD-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076838658 1195043990 /nfs/dbraw/zinc/04/39/90/1195043990.db2.gz HKGCDHMWKMBHKD-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083559842 1195152144 /nfs/dbraw/zinc/15/21/44/1195152144.db2.gz FBLAJUMMACJPJJ-SJORKVTESA-N 2 2 361.490 0.266 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083559842 1195152151 /nfs/dbraw/zinc/15/21/51/1195152151.db2.gz FBLAJUMMACJPJJ-SJORKVTESA-N 2 2 361.490 0.266 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077034415 1195168718 /nfs/dbraw/zinc/16/87/18/1195168718.db2.gz XQCLXHLOCGMQIT-GVDBMIGSSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077034415 1195168726 /nfs/dbraw/zinc/16/87/26/1195168726.db2.gz XQCLXHLOCGMQIT-GVDBMIGSSA-N 2 2 362.474 0.492 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127655 1195241233 /nfs/dbraw/zinc/24/12/33/1195241233.db2.gz DPJNBIWMKLPGHG-BMGDILEWSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127655 1195241239 /nfs/dbraw/zinc/24/12/39/1195241239.db2.gz DPJNBIWMKLPGHG-BMGDILEWSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127655 1195241240 /nfs/dbraw/zinc/24/12/40/1195241240.db2.gz DPJNBIWMKLPGHG-BMGDILEWSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127655 1195241244 /nfs/dbraw/zinc/24/12/44/1195241244.db2.gz DPJNBIWMKLPGHG-BMGDILEWSA-N 2 2 364.490 0.876 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127837 1195242191 /nfs/dbraw/zinc/24/21/91/1195242191.db2.gz LJGUKEUNNWUASR-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127837 1195242196 /nfs/dbraw/zinc/24/21/96/1195242196.db2.gz LJGUKEUNNWUASR-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127837 1195242203 /nfs/dbraw/zinc/24/22/03/1195242203.db2.gz LJGUKEUNNWUASR-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127837 1195242210 /nfs/dbraw/zinc/24/22/10/1195242210.db2.gz LJGUKEUNNWUASR-CGTJXYLNSA-N 2 2 361.490 0.424 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237894 1195339570 /nfs/dbraw/zinc/33/95/70/1195339570.db2.gz UEKXMPCIQBXKJH-NZSAHSFTSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237894 1195339576 /nfs/dbraw/zinc/33/95/76/1195339576.db2.gz UEKXMPCIQBXKJH-NZSAHSFTSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077237894 1195339582 /nfs/dbraw/zinc/33/95/82/1195339582.db2.gz UEKXMPCIQBXKJH-NZSAHSFTSA-N 2 2 360.502 0.898 20 0 FCADLP CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800464 1224274621 /nfs/dbraw/zinc/27/46/21/1224274621.db2.gz SGFPWNPOGQWKBJ-LPHOPBHVSA-N 2 2 364.490 0.984 20 0 FCADLP CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800464 1224274626 /nfs/dbraw/zinc/27/46/26/1224274626.db2.gz SGFPWNPOGQWKBJ-LPHOPBHVSA-N 2 2 364.490 0.984 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077259021 1195363346 /nfs/dbraw/zinc/36/33/46/1195363346.db2.gz GBWZAWBPFRUZBN-BHIYHBOVSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077259021 1195363350 /nfs/dbraw/zinc/36/33/50/1195363350.db2.gz GBWZAWBPFRUZBN-BHIYHBOVSA-N 2 2 370.453 0.299 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275950 1195376130 /nfs/dbraw/zinc/37/61/30/1195376130.db2.gz DNVMNHUXRZDKEB-IAGOWNOFSA-N 2 2 354.414 0.351 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280839 1195381566 /nfs/dbraw/zinc/38/15/66/1195381566.db2.gz NLWXHBFVUMTOOE-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280839 1195381573 /nfs/dbraw/zinc/38/15/73/1195381573.db2.gz NLWXHBFVUMTOOE-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280839 1195381578 /nfs/dbraw/zinc/38/15/78/1195381578.db2.gz NLWXHBFVUMTOOE-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280839 1195381584 /nfs/dbraw/zinc/38/15/84/1195381584.db2.gz NLWXHBFVUMTOOE-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000978 1224282425 /nfs/dbraw/zinc/28/24/25/1224282425.db2.gz IYWOTHSRGXURIK-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000978 1224282430 /nfs/dbraw/zinc/28/24/30/1224282430.db2.gz IYWOTHSRGXURIK-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219003017 1224284222 /nfs/dbraw/zinc/28/42/22/1224284222.db2.gz OQKNQMFIZDESNT-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219003017 1224284231 /nfs/dbraw/zinc/28/42/31/1224284231.db2.gz OQKNQMFIZDESNT-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219003017 1224284237 /nfs/dbraw/zinc/28/42/37/1224284237.db2.gz OQKNQMFIZDESNT-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219003017 1224284242 /nfs/dbraw/zinc/28/42/42/1224284242.db2.gz OQKNQMFIZDESNT-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000904948006 1195556343 /nfs/dbraw/zinc/55/63/43/1195556343.db2.gz PSSZADORLAJQIU-UHFFFAOYSA-N 2 2 358.486 0.670 20 0 FCADLP C[C@](O)(C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(F)F ZINC000905107802 1195575382 /nfs/dbraw/zinc/57/53/82/1195575382.db2.gz CCRLMEBJPUUGJY-GUYCJALGSA-N 2 2 371.432 0.888 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591102 1195585921 /nfs/dbraw/zinc/58/59/21/1195585921.db2.gz LDBWBIZZLLKNAW-SJORKVTESA-N 2 2 371.441 0.040 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001083591102 1195585926 /nfs/dbraw/zinc/58/59/26/1195585926.db2.gz LDBWBIZZLLKNAW-SJORKVTESA-N 2 2 371.441 0.040 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905445997 1195586228 /nfs/dbraw/zinc/58/62/28/1195586228.db2.gz AWRQZTAQHSXCCO-RBUKOAKNSA-N 2 2 369.550 0.819 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000906278058 1195621369 /nfs/dbraw/zinc/62/13/69/1195621369.db2.gz RGEHQHUDPQLFCF-QGZVFWFLSA-N 2 2 360.506 0.837 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000906278058 1195621372 /nfs/dbraw/zinc/62/13/72/1195621372.db2.gz RGEHQHUDPQLFCF-QGZVFWFLSA-N 2 2 360.506 0.837 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000906390859 1195628000 /nfs/dbraw/zinc/62/80/00/1195628000.db2.gz FKRHELCINAHKGS-UHFFFAOYSA-N 2 2 373.501 0.506 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000906390859 1195628006 /nfs/dbraw/zinc/62/80/06/1195628006.db2.gz FKRHELCINAHKGS-UHFFFAOYSA-N 2 2 373.501 0.506 20 0 FCADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906596173 1195641862 /nfs/dbraw/zinc/64/18/62/1195641862.db2.gz CIBDTPYEKJCOIV-KRWDZBQOSA-N 2 2 364.490 0.661 20 0 FCADLP COCC[N@H+]1CCC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906596173 1195641864 /nfs/dbraw/zinc/64/18/64/1195641864.db2.gz CIBDTPYEKJCOIV-KRWDZBQOSA-N 2 2 364.490 0.661 20 0 FCADLP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000906656860 1195642304 /nfs/dbraw/zinc/64/23/04/1195642304.db2.gz IAYANWRFGKHZSX-DLBZAZTESA-N 2 2 360.458 0.843 20 0 FCADLP C[C@@H](CNC(=O)c1cccn1CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000906683949 1195645832 /nfs/dbraw/zinc/64/58/32/1195645832.db2.gz SALXIDDGGKDTCU-KRWDZBQOSA-N 2 2 363.506 0.186 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908202929 1195733423 /nfs/dbraw/zinc/73/34/23/1195733423.db2.gz PLZRADXFEJWYSE-IRXDYDNUSA-N 2 2 362.474 0.101 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908202929 1195733426 /nfs/dbraw/zinc/73/34/26/1195733426.db2.gz PLZRADXFEJWYSE-IRXDYDNUSA-N 2 2 362.474 0.101 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(-c4ncon4)n3C)CC2)CC1 ZINC000908522765 1195751241 /nfs/dbraw/zinc/75/12/41/1195751241.db2.gz ZEIGACGDMNWRIF-UHFFFAOYSA-N 2 2 360.466 0.862 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(-c4ncon4)n3C)CC2)CC1 ZINC000908522765 1195751244 /nfs/dbraw/zinc/75/12/44/1195751244.db2.gz ZEIGACGDMNWRIF-UHFFFAOYSA-N 2 2 360.466 0.862 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033916 1224307288 /nfs/dbraw/zinc/30/72/88/1224307288.db2.gz ZHIFYRKSJJCGPK-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633319 1195806622 /nfs/dbraw/zinc/80/66/22/1195806622.db2.gz RRWBUQHICUJTTO-JQHSSLGASA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083633319 1195806627 /nfs/dbraw/zinc/80/66/27/1195806627.db2.gz RRWBUQHICUJTTO-JQHSSLGASA-N 2 2 371.441 0.611 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033916 1224307272 /nfs/dbraw/zinc/30/72/72/1224307272.db2.gz ZHIFYRKSJJCGPK-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911035646 1195882174 /nfs/dbraw/zinc/88/21/74/1195882174.db2.gz SUJBSAMQUPWNAD-JKSUJKDBSA-N 2 2 353.426 0.556 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044510 1224315214 /nfs/dbraw/zinc/31/52/14/1224315214.db2.gz XFBBIZQRIFQLBU-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044510 1224315221 /nfs/dbraw/zinc/31/52/21/1224315221.db2.gz XFBBIZQRIFQLBU-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044510 1224315231 /nfs/dbraw/zinc/31/52/31/1224315231.db2.gz XFBBIZQRIFQLBU-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044510 1224315238 /nfs/dbraw/zinc/31/52/38/1224315238.db2.gz XFBBIZQRIFQLBU-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358245 1196318904 /nfs/dbraw/zinc/31/89/04/1196318904.db2.gz IAQRTIZPBLDCMF-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358245 1196318907 /nfs/dbraw/zinc/31/89/07/1196318907.db2.gz IAQRTIZPBLDCMF-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cncn2C)CC3)O1 ZINC000991358245 1196318909 /nfs/dbraw/zinc/31/89/09/1196318909.db2.gz IAQRTIZPBLDCMF-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358245 1196318913 /nfs/dbraw/zinc/31/89/13/1196318913.db2.gz IAQRTIZPBLDCMF-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077443992 1196398122 /nfs/dbraw/zinc/39/81/22/1196398122.db2.gz FZYSTEJCJYZFDZ-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)c1 ZINC001077443992 1196398125 /nfs/dbraw/zinc/39/81/25/1196398125.db2.gz FZYSTEJCJYZFDZ-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1=O ZINC000913448144 1196437389 /nfs/dbraw/zinc/43/73/89/1196437389.db2.gz RDOJNIUTXMDLBV-DJIMGWMZSA-N 2 2 374.489 0.215 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1=O ZINC000913448144 1196437393 /nfs/dbraw/zinc/43/73/93/1196437393.db2.gz RDOJNIUTXMDLBV-DJIMGWMZSA-N 2 2 374.489 0.215 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467565 1196437940 /nfs/dbraw/zinc/43/79/40/1196437940.db2.gz IXZNWTDVRBOGBP-AZUAARDMSA-N 2 2 369.469 0.530 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467565 1196437944 /nfs/dbraw/zinc/43/79/44/1196437944.db2.gz IXZNWTDVRBOGBP-AZUAARDMSA-N 2 2 369.469 0.530 20 0 FCADLP CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001105714046 1196474113 /nfs/dbraw/zinc/47/41/13/1196474113.db2.gz HDWLTDJKLRBSJK-CRAIPNDOSA-N 2 2 369.506 0.434 20 0 FCADLP CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001105714046 1196474117 /nfs/dbraw/zinc/47/41/17/1196474117.db2.gz HDWLTDJKLRBSJK-CRAIPNDOSA-N 2 2 369.506 0.434 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)cn1 ZINC000592560212 1196568685 /nfs/dbraw/zinc/56/86/85/1196568685.db2.gz DIIGXDQYADCQGW-INIZCTEOSA-N 2 2 371.489 0.801 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)cn1 ZINC000592560212 1196568691 /nfs/dbraw/zinc/56/86/91/1196568691.db2.gz DIIGXDQYADCQGW-INIZCTEOSA-N 2 2 371.489 0.801 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000592963862 1196597333 /nfs/dbraw/zinc/59/73/33/1196597333.db2.gz MTFGWMATFYGYSW-MRXNPFEDSA-N 2 2 360.458 0.970 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320291 1196676620 /nfs/dbraw/zinc/67/66/20/1196676620.db2.gz PMJSMQSBDFDSJG-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053213 1196876819 /nfs/dbraw/zinc/87/68/19/1196876819.db2.gz NNFKETRVAMLDNA-VYDXJSESSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053213 1196876821 /nfs/dbraw/zinc/87/68/21/1196876821.db2.gz NNFKETRVAMLDNA-VYDXJSESSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053213 1196876823 /nfs/dbraw/zinc/87/68/23/1196876823.db2.gz NNFKETRVAMLDNA-VYDXJSESSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053213 1196876825 /nfs/dbraw/zinc/87/68/25/1196876825.db2.gz NNFKETRVAMLDNA-VYDXJSESSA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001089089536 1196894104 /nfs/dbraw/zinc/89/41/04/1196894104.db2.gz KHXQNTNLTMHCIL-CABCVRRESA-N 2 2 358.450 0.581 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001089089536 1196894106 /nfs/dbraw/zinc/89/41/06/1196894106.db2.gz KHXQNTNLTMHCIL-CABCVRRESA-N 2 2 358.450 0.581 20 0 FCADLP O=C(NCC1CC(NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000992203621 1197015156 /nfs/dbraw/zinc/01/51/56/1197015156.db2.gz SKOXUUWUMZYENJ-NEXFUWMNSA-N 2 2 357.458 0.620 20 0 FCADLP O=C(NCC1CC(NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000992203621 1197015161 /nfs/dbraw/zinc/01/51/61/1197015161.db2.gz SKOXUUWUMZYENJ-NEXFUWMNSA-N 2 2 357.458 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC000992243128 1197030613 /nfs/dbraw/zinc/03/06/13/1197030613.db2.gz UWHONIKQEBYZMH-RNKNFESXSA-N 2 2 371.485 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992243128 1197030617 /nfs/dbraw/zinc/03/06/17/1197030617.db2.gz UWHONIKQEBYZMH-RNKNFESXSA-N 2 2 371.485 0.915 20 0 FCADLP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001077509009 1197032846 /nfs/dbraw/zinc/03/28/46/1197032846.db2.gz ZYTXQKPEKPGQQB-RRFJBIMHSA-N 2 2 359.474 0.630 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@@H+]1C ZINC000992406569 1197091250 /nfs/dbraw/zinc/09/12/50/1197091250.db2.gz KGNVOFWFRIXYEY-XOKHGSTOSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@H+]1C ZINC000992406569 1197091254 /nfs/dbraw/zinc/09/12/54/1197091254.db2.gz KGNVOFWFRIXYEY-XOKHGSTOSA-N 2 2 359.474 0.503 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)c1 ZINC000913757763 1197125404 /nfs/dbraw/zinc/12/54/04/1197125404.db2.gz UBLXNNSFSXWDKR-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)C2)c1 ZINC000913757763 1197125406 /nfs/dbraw/zinc/12/54/06/1197125406.db2.gz UBLXNNSFSXWDKR-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)C2)c1 ZINC000913757763 1197125407 /nfs/dbraw/zinc/12/54/07/1197125407.db2.gz UBLXNNSFSXWDKR-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)C2)c1 ZINC000913757763 1197125408 /nfs/dbraw/zinc/12/54/08/1197125408.db2.gz UBLXNNSFSXWDKR-GGPKGHCWSA-N 2 2 361.486 0.767 20 0 FCADLP CN(CC(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1)c1cccc[nH+]1 ZINC001272501081 1197188134 /nfs/dbraw/zinc/18/81/34/1197188134.db2.gz LMTVFPNKLLPRFT-UHFFFAOYSA-N 2 2 359.474 0.706 20 0 FCADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001106171507 1197325520 /nfs/dbraw/zinc/32/55/20/1197325520.db2.gz BICGZJQPELDCEN-RBSFLKMASA-N 2 2 365.478 0.517 20 0 FCADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001106171507 1197325523 /nfs/dbraw/zinc/32/55/23/1197325523.db2.gz BICGZJQPELDCEN-RBSFLKMASA-N 2 2 365.478 0.517 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914221551 1197487537 /nfs/dbraw/zinc/48/75/37/1197487537.db2.gz YGHRMQWZHGLHGU-OAHLLOKOSA-N 2 2 369.510 0.933 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914221551 1197487541 /nfs/dbraw/zinc/48/75/41/1197487541.db2.gz YGHRMQWZHGLHGU-OAHLLOKOSA-N 2 2 369.510 0.933 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992991365 1197650596 /nfs/dbraw/zinc/65/05/96/1197650596.db2.gz PVAIIEUSHBHHFY-GPINWOSQSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992991365 1197650599 /nfs/dbraw/zinc/65/05/99/1197650599.db2.gz PVAIIEUSHBHHFY-GPINWOSQSA-N 2 2 359.474 0.599 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719829 1197652934 /nfs/dbraw/zinc/65/29/34/1197652934.db2.gz YJQKCKFICPAJCY-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719829 1197652946 /nfs/dbraw/zinc/65/29/46/1197652946.db2.gz YJQKCKFICPAJCY-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719829 1197652953 /nfs/dbraw/zinc/65/29/53/1197652953.db2.gz YJQKCKFICPAJCY-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@@H]2O)C1 ZINC001083719829 1197652965 /nfs/dbraw/zinc/65/29/65/1197652965.db2.gz YJQKCKFICPAJCY-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)CC1 ZINC000925410945 1197663792 /nfs/dbraw/zinc/66/37/92/1197663792.db2.gz KULSXOORERPAEW-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3CC[N@H+]3C)CC2)CC1 ZINC000925410945 1197663805 /nfs/dbraw/zinc/66/38/05/1197663805.db2.gz KULSXOORERPAEW-KRWDZBQOSA-N 2 2 365.522 0.666 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085244800 1197737698 /nfs/dbraw/zinc/73/76/98/1197737698.db2.gz XWGQMZLYIUAABO-RBSFLKMASA-N 2 2 369.425 0.999 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085249899 1197746769 /nfs/dbraw/zinc/74/67/69/1197746769.db2.gz VWOQUWODKLRQLZ-FVQBIDKESA-N 2 2 357.462 0.791 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723698 1197755812 /nfs/dbraw/zinc/75/58/12/1197755812.db2.gz WRPXNSJLNJHCTD-QYZOEREBSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723698 1197755824 /nfs/dbraw/zinc/75/58/24/1197755824.db2.gz WRPXNSJLNJHCTD-QYZOEREBSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723698 1197755833 /nfs/dbraw/zinc/75/58/33/1197755833.db2.gz WRPXNSJLNJHCTD-QYZOEREBSA-N 2 2 361.486 0.766 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083723698 1197755843 /nfs/dbraw/zinc/75/58/43/1197755843.db2.gz WRPXNSJLNJHCTD-QYZOEREBSA-N 2 2 361.486 0.766 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)c1cccc2[nH+]ccn21 ZINC001085272316 1197775908 /nfs/dbraw/zinc/77/59/08/1197775908.db2.gz YLSAAUXKCXLXHF-MGPQQGTHSA-N 2 2 369.425 0.770 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993081639 1197803731 /nfs/dbraw/zinc/80/37/31/1197803731.db2.gz PDEYFLBXMODYFR-YYAJDYIMSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993081639 1197803736 /nfs/dbraw/zinc/80/37/36/1197803736.db2.gz PDEYFLBXMODYFR-YYAJDYIMSA-N 2 2 359.474 0.530 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085308893 1197810784 /nfs/dbraw/zinc/81/07/84/1197810784.db2.gz NVWHPBXNUNQCCF-BZUAXINKSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085308893 1197810786 /nfs/dbraw/zinc/81/07/86/1197810786.db2.gz NVWHPBXNUNQCCF-BZUAXINKSA-N 2 2 364.494 0.441 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726010 1197812740 /nfs/dbraw/zinc/81/27/40/1197812740.db2.gz WZBZTRMSWYLVMP-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726010 1197812741 /nfs/dbraw/zinc/81/27/41/1197812741.db2.gz WZBZTRMSWYLVMP-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726010 1197812742 /nfs/dbraw/zinc/81/27/42/1197812742.db2.gz WZBZTRMSWYLVMP-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083726010 1197812746 /nfs/dbraw/zinc/81/27/46/1197812746.db2.gz WZBZTRMSWYLVMP-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H](OC)C2)cn1 ZINC001212200959 1197838326 /nfs/dbraw/zinc/83/83/26/1197838326.db2.gz IUMGGTGKFGDLQG-HZPDHXFCSA-N 2 2 360.462 0.617 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H](OC)C2)cn1 ZINC001212200959 1197838331 /nfs/dbraw/zinc/83/83/31/1197838331.db2.gz IUMGGTGKFGDLQG-HZPDHXFCSA-N 2 2 360.462 0.617 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201306 1197840876 /nfs/dbraw/zinc/84/08/76/1197840876.db2.gz ZXKDZONEGWGKJH-HZPDHXFCSA-N 2 2 371.441 0.457 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201306 1197840877 /nfs/dbraw/zinc/84/08/77/1197840877.db2.gz ZXKDZONEGWGKJH-HZPDHXFCSA-N 2 2 371.441 0.457 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085382447 1197853999 /nfs/dbraw/zinc/85/39/99/1197853999.db2.gz BCEJXYQXHXJBIK-OAGGEKHMSA-N 2 2 368.441 0.786 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001085394511 1197863610 /nfs/dbraw/zinc/86/36/10/1197863610.db2.gz ONQVMHFRJHWAFH-IAGOWNOFSA-N 2 2 361.490 0.992 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)c(C)[nH+]1 ZINC001106455167 1197935421 /nfs/dbraw/zinc/93/54/21/1197935421.db2.gz CZYLCXMAGAQQKW-BXUZGUMPSA-N 2 2 361.446 0.499 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993176312 1197937335 /nfs/dbraw/zinc/93/73/35/1197937335.db2.gz SRBWAFBEMSTMRP-QFBILLFUSA-N 2 2 370.457 0.785 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001085670720 1197977956 /nfs/dbraw/zinc/97/79/56/1197977956.db2.gz CXFSOQNATRVNRQ-ATZDWAIDSA-N 2 2 361.486 0.931 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(CO)cc2)O1 ZINC001085670720 1197977962 /nfs/dbraw/zinc/97/79/62/1197977962.db2.gz CXFSOQNATRVNRQ-ATZDWAIDSA-N 2 2 361.486 0.931 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(CO)cc2)O1 ZINC001085670720 1197977971 /nfs/dbraw/zinc/97/79/71/1197977971.db2.gz CXFSOQNATRVNRQ-ATZDWAIDSA-N 2 2 361.486 0.931 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119919 1198177940 /nfs/dbraw/zinc/17/79/40/1198177940.db2.gz FZHOYJHKNSPTTA-QKGCVVFFSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119919 1198177948 /nfs/dbraw/zinc/17/79/48/1198177948.db2.gz FZHOYJHKNSPTTA-QKGCVVFFSA-N 2 2 365.478 0.897 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001006289680 1198259394 /nfs/dbraw/zinc/25/93/94/1198259394.db2.gz WMERBQPMNHUVBK-JFOHDYCDSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001006289680 1198259409 /nfs/dbraw/zinc/25/94/09/1198259409.db2.gz WMERBQPMNHUVBK-JFOHDYCDSA-N 2 2 359.474 0.993 20 0 FCADLP N[C@@]1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC001219567691 1224512980 /nfs/dbraw/zinc/51/29/80/1224512980.db2.gz PPPUTWBPHMIQHX-IBGZPJMESA-N 2 2 362.474 0.095 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006327387 1198994367 /nfs/dbraw/zinc/99/43/67/1198994367.db2.gz UMWLKAQCPFYLBZ-APHBMKBZSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006327387 1198994372 /nfs/dbraw/zinc/99/43/72/1198994372.db2.gz UMWLKAQCPFYLBZ-APHBMKBZSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)(C)C(=O)Nc1nc2[nH]ccc2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066493 1199044167 /nfs/dbraw/zinc/04/41/67/1199044167.db2.gz FVYIDSOIJDQWDG-SNVBAGLBSA-N 2 2 357.418 0.990 20 0 FCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161276 1199049456 /nfs/dbraw/zinc/04/94/56/1199049456.db2.gz AVVYAOWUYNINTI-UONOGXRCSA-N 2 2 364.494 0.532 20 0 FCADLP CC(=O)N1CCC[C@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001169606579 1199081509 /nfs/dbraw/zinc/08/15/09/1199081509.db2.gz WJSMMNDBYMIHKA-AWEZNQCLSA-N 2 2 363.462 0.335 20 0 FCADLP CC(=O)N1CCC[C@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001169606579 1199081517 /nfs/dbraw/zinc/08/15/17/1199081517.db2.gz WJSMMNDBYMIHKA-AWEZNQCLSA-N 2 2 363.462 0.335 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001109294017 1200151798 /nfs/dbraw/zinc/15/17/98/1200151798.db2.gz KZNCRPGMEHVSLR-OWSLCNJRSA-N 2 2 360.502 0.576 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CC1 ZINC001109294017 1200151803 /nfs/dbraw/zinc/15/18/03/1200151803.db2.gz KZNCRPGMEHVSLR-OWSLCNJRSA-N 2 2 360.502 0.576 20 0 FCADLP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC21CC[NH2+]CC1 ZINC001219751458 1224595733 /nfs/dbraw/zinc/59/57/33/1224595733.db2.gz SJUNRNQCDZXYFV-GJZGRUSLSA-N 2 2 355.446 0.260 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402172 1200249862 /nfs/dbraw/zinc/24/98/62/1200249862.db2.gz KGCQOUSTKSSGLK-MUQADHOPSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402172 1200249864 /nfs/dbraw/zinc/24/98/64/1200249864.db2.gz KGCQOUSTKSSGLK-MUQADHOPSA-N 2 2 366.506 0.201 20 0 FCADLP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1C)c1cc[nH+]cc1 ZINC001109467347 1200304949 /nfs/dbraw/zinc/30/49/49/1200304949.db2.gz SKYNBCXIQPEIPB-NJAFHUGGSA-N 2 2 369.473 0.958 20 0 FCADLP CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1C)c1cc[nH+]cc1 ZINC001109467347 1200304958 /nfs/dbraw/zinc/30/49/58/1200304958.db2.gz SKYNBCXIQPEIPB-NJAFHUGGSA-N 2 2 369.473 0.958 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472835 1200314840 /nfs/dbraw/zinc/31/48/40/1200314840.db2.gz IFYGNMNKJSJLHD-KMFMINBZSA-N 2 2 366.462 0.734 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472835 1200314850 /nfs/dbraw/zinc/31/48/50/1200314850.db2.gz IFYGNMNKJSJLHD-KMFMINBZSA-N 2 2 366.462 0.734 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489141 1200331022 /nfs/dbraw/zinc/33/10/22/1200331022.db2.gz HZFUUUFWBRTOMD-FDEJFUCISA-N 2 2 370.413 0.253 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489141 1200331028 /nfs/dbraw/zinc/33/10/28/1200331028.db2.gz HZFUUUFWBRTOMD-FDEJFUCISA-N 2 2 370.413 0.253 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672791 1200459737 /nfs/dbraw/zinc/45/97/37/1200459737.db2.gz UHZFETMKICVXLO-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672791 1200459743 /nfs/dbraw/zinc/45/97/43/1200459743.db2.gz UHZFETMKICVXLO-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109727849 1200490003 /nfs/dbraw/zinc/49/00/03/1200490003.db2.gz ZAHYHQZOAPAOOS-BGTYHANMSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109727849 1200490010 /nfs/dbraw/zinc/49/00/10/1200490010.db2.gz ZAHYHQZOAPAOOS-BGTYHANMSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109727849 1200490019 /nfs/dbraw/zinc/49/00/19/1200490019.db2.gz ZAHYHQZOAPAOOS-BGTYHANMSA-N 2 2 358.486 0.756 20 0 FCADLP C[C@H](C(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109727849 1200490026 /nfs/dbraw/zinc/49/00/26/1200490026.db2.gz ZAHYHQZOAPAOOS-BGTYHANMSA-N 2 2 358.486 0.756 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)CCC1 ZINC001219797947 1224617301 /nfs/dbraw/zinc/61/73/01/1224617301.db2.gz BLDCSTMARWSTKO-CVEARBPZSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)CCC1 ZINC001219797947 1224617305 /nfs/dbraw/zinc/61/73/05/1224617305.db2.gz BLDCSTMARWSTKO-CVEARBPZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219800284 1224619400 /nfs/dbraw/zinc/61/94/00/1224619400.db2.gz JWUYGKSUENNDME-XHSDSOJGSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219800284 1224619409 /nfs/dbraw/zinc/61/94/09/1224619409.db2.gz JWUYGKSUENNDME-XHSDSOJGSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798815 1224617966 /nfs/dbraw/zinc/61/79/66/1224617966.db2.gz VCHRICSYWCMXER-IMJJTQAJSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798815 1224617970 /nfs/dbraw/zinc/61/79/70/1224617970.db2.gz VCHRICSYWCMXER-IMJJTQAJSA-N 2 2 366.506 0.079 20 0 FCADLP Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847799 1200560569 /nfs/dbraw/zinc/56/05/69/1200560569.db2.gz HYMBMVIHNCNEHO-RYRKJORJSA-N 2 2 359.474 0.729 20 0 FCADLP Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847799 1200560574 /nfs/dbraw/zinc/56/05/74/1200560574.db2.gz HYMBMVIHNCNEHO-RYRKJORJSA-N 2 2 359.474 0.729 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109868284 1200577751 /nfs/dbraw/zinc/57/77/51/1200577751.db2.gz JFNUYXPKHDRBDH-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001109868284 1200577758 /nfs/dbraw/zinc/57/77/58/1200577758.db2.gz JFNUYXPKHDRBDH-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC1 ZINC001109879703 1200579986 /nfs/dbraw/zinc/57/99/86/1200579986.db2.gz GYWNYYCFQFHRCT-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC1 ZINC001109879703 1200579991 /nfs/dbraw/zinc/57/99/91/1200579991.db2.gz GYWNYYCFQFHRCT-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219801972 1224621296 /nfs/dbraw/zinc/62/12/96/1224621296.db2.gz AKVDPMNNVMQZJZ-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219801972 1224621303 /nfs/dbraw/zinc/62/13/03/1224621303.db2.gz AKVDPMNNVMQZJZ-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1)C(C)C ZINC001219813977 1224629925 /nfs/dbraw/zinc/62/99/25/1224629925.db2.gz NJRDOWQCCYHGRQ-SJORKVTESA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1)C(C)C ZINC001219813977 1224629930 /nfs/dbraw/zinc/62/99/30/1224629930.db2.gz NJRDOWQCCYHGRQ-SJORKVTESA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)C(C)C ZINC001219813977 1224629939 /nfs/dbraw/zinc/62/99/39/1224629939.db2.gz NJRDOWQCCYHGRQ-SJORKVTESA-N 2 2 368.522 0.277 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815794 1224631274 /nfs/dbraw/zinc/63/12/74/1224631274.db2.gz KOTNMMDVMDFHDF-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815794 1224631280 /nfs/dbraw/zinc/63/12/80/1224631280.db2.gz KOTNMMDVMDFHDF-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815794 1224631286 /nfs/dbraw/zinc/63/12/86/1224631286.db2.gz KOTNMMDVMDFHDF-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815794 1224631297 /nfs/dbraw/zinc/63/12/97/1224631297.db2.gz KOTNMMDVMDFHDF-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3cccnc3)C2)CC1 ZINC000786648577 1200845610 /nfs/dbraw/zinc/84/56/10/1200845610.db2.gz JZCXAKWLHKAMTR-INIZCTEOSA-N 2 2 359.474 0.025 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3cccnc3)C2)CC1 ZINC000786648577 1200845615 /nfs/dbraw/zinc/84/56/15/1200845615.db2.gz JZCXAKWLHKAMTR-INIZCTEOSA-N 2 2 359.474 0.025 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCC[NH+]1CCCCC1 ZINC000787003433 1200859311 /nfs/dbraw/zinc/85/93/11/1200859311.db2.gz XULJPHCXQYACEB-KRWDZBQOSA-N 2 2 367.490 0.729 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000788794747 1200974576 /nfs/dbraw/zinc/97/45/76/1200974576.db2.gz IFFXOGUPWXVURM-CABCVRRESA-N 2 2 359.474 0.727 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000788794747 1200974586 /nfs/dbraw/zinc/97/45/86/1200974586.db2.gz IFFXOGUPWXVURM-CABCVRRESA-N 2 2 359.474 0.727 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000789021631 1200985923 /nfs/dbraw/zinc/98/59/23/1200985923.db2.gz MPXZSMDTGCBQNQ-FUHWJXTLSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)C(=O)Nc1cccc(F)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793046325 1201223245 /nfs/dbraw/zinc/22/32/45/1201223245.db2.gz HTNMHLOGSWDVBF-AWEZNQCLSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1cccc(F)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793046325 1201223249 /nfs/dbraw/zinc/22/32/49/1201223249.db2.gz HTNMHLOGSWDVBF-AWEZNQCLSA-N 2 2 363.437 0.786 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000793704709 1201260080 /nfs/dbraw/zinc/26/00/80/1201260080.db2.gz BZNIXTJOMNYUAZ-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129412263 1201300074 /nfs/dbraw/zinc/30/00/74/1201300074.db2.gz OLZJDXVLCVBHFM-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490912 1201333479 /nfs/dbraw/zinc/33/34/79/1201333479.db2.gz UWVJPCYSFIQYTQ-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490912 1201333482 /nfs/dbraw/zinc/33/34/82/1201333482.db2.gz UWVJPCYSFIQYTQ-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H](O)C2)o1 ZINC001219877409 1224668510 /nfs/dbraw/zinc/66/85/10/1224668510.db2.gz DNRDKVUWIJPHGH-CVEARBPZSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H](O)C2)o1 ZINC001219877409 1224668518 /nfs/dbraw/zinc/66/85/18/1224668518.db2.gz DNRDKVUWIJPHGH-CVEARBPZSA-N 2 2 366.462 0.003 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893816 1224671707 /nfs/dbraw/zinc/67/17/07/1224671707.db2.gz NKZTXAHKZFDWQL-NXHRZFHOSA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893816 1224671720 /nfs/dbraw/zinc/67/17/20/1224671720.db2.gz NKZTXAHKZFDWQL-NXHRZFHOSA-N 2 2 364.490 0.670 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129887490 1201412639 /nfs/dbraw/zinc/41/26/39/1201412639.db2.gz BIURNRXKRXNIOB-OLZOCXBDSA-N 2 2 371.367 0.928 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129887490 1201412643 /nfs/dbraw/zinc/41/26/43/1201412643.db2.gz BIURNRXKRXNIOB-OLZOCXBDSA-N 2 2 371.367 0.928 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917089 1201426915 /nfs/dbraw/zinc/42/69/15/1201426915.db2.gz LDCSFTHVQUGLBQ-KFWWJZLASA-N 2 2 361.425 0.438 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917553 1201427594 /nfs/dbraw/zinc/42/75/94/1201427594.db2.gz WKQLLMSIIRGQGI-IMJJTQAJSA-N 2 2 361.425 0.438 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896901 1224672845 /nfs/dbraw/zinc/67/28/45/1224672845.db2.gz OFZZRKNXISALHZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896901 1224672850 /nfs/dbraw/zinc/67/28/50/1224672850.db2.gz OFZZRKNXISALHZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896901 1224672852 /nfs/dbraw/zinc/67/28/52/1224672852.db2.gz OFZZRKNXISALHZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896901 1224672854 /nfs/dbraw/zinc/67/28/54/1224672854.db2.gz OFZZRKNXISALHZ-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129918764 1201440841 /nfs/dbraw/zinc/44/08/41/1201440841.db2.gz IAISAHRZDFPRDP-BMFZPTHFSA-N 2 2 361.425 0.438 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930412 1201445901 /nfs/dbraw/zinc/44/59/01/1201445901.db2.gz GJBJYPWBFNZCIB-LZWOXQAQSA-N 2 2 369.429 0.616 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1)OC ZINC001129952256 1201448280 /nfs/dbraw/zinc/44/82/80/1201448280.db2.gz LLUZCOLIJDTDAG-OAGGEKHMSA-N 2 2 361.450 0.331 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130022479 1201474231 /nfs/dbraw/zinc/47/42/31/1201474231.db2.gz BOKNVLCXKZPIAQ-OAGGEKHMSA-N 2 2 361.450 0.504 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219902896 1224676241 /nfs/dbraw/zinc/67/62/41/1224676241.db2.gz NSJJVCVDJSJSJM-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219902896 1224676244 /nfs/dbraw/zinc/67/62/44/1224676244.db2.gz NSJJVCVDJSJSJM-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219902896 1224676247 /nfs/dbraw/zinc/67/62/47/1224676247.db2.gz NSJJVCVDJSJSJM-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001219902896 1224676250 /nfs/dbraw/zinc/67/62/50/1224676250.db2.gz NSJJVCVDJSJSJM-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902916 1224676411 /nfs/dbraw/zinc/67/64/11/1224676411.db2.gz OEDOVEMVRLZGLD-KFWWJZLASA-N 2 2 368.522 0.277 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902916 1224676415 /nfs/dbraw/zinc/67/64/15/1224676415.db2.gz OEDOVEMVRLZGLD-KFWWJZLASA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902916 1224676419 /nfs/dbraw/zinc/67/64/19/1224676419.db2.gz OEDOVEMVRLZGLD-KFWWJZLASA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902916 1224676423 /nfs/dbraw/zinc/67/64/23/1224676423.db2.gz OEDOVEMVRLZGLD-KFWWJZLASA-N 2 2 368.522 0.277 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001219906344 1224677354 /nfs/dbraw/zinc/67/73/54/1224677354.db2.gz KXFKKEYIYKTFEZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001219906344 1224677356 /nfs/dbraw/zinc/67/73/56/1224677356.db2.gz KXFKKEYIYKTFEZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001219906344 1224677359 /nfs/dbraw/zinc/67/73/59/1224677359.db2.gz KXFKKEYIYKTFEZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@@H]1O ZINC001219906344 1224677360 /nfs/dbraw/zinc/67/73/60/1224677360.db2.gz KXFKKEYIYKTFEZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130110072 1201504018 /nfs/dbraw/zinc/50/40/18/1201504018.db2.gz SYDUWHFZSMTOEH-IMJJTQAJSA-N 2 2 363.441 0.734 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001130193131 1201530168 /nfs/dbraw/zinc/53/01/68/1201530168.db2.gz JWLVCYKBHZPQNJ-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001130193131 1201530172 /nfs/dbraw/zinc/53/01/72/1201530172.db2.gz JWLVCYKBHZPQNJ-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001130193131 1201530174 /nfs/dbraw/zinc/53/01/74/1201530174.db2.gz JWLVCYKBHZPQNJ-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001130193131 1201530176 /nfs/dbraw/zinc/53/01/76/1201530176.db2.gz JWLVCYKBHZPQNJ-ZNMIVQPWSA-N 2 2 364.494 0.777 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccn(-c3ccccc3)n2)O1 ZINC001130182632 1201535146 /nfs/dbraw/zinc/53/51/46/1201535146.db2.gz QFVBFEOPBRJOBC-CRAIPNDOSA-N 2 2 357.458 0.797 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccn(-c3ccccc3)n2)O1 ZINC001130182632 1201535155 /nfs/dbraw/zinc/53/51/55/1201535155.db2.gz QFVBFEOPBRJOBC-CRAIPNDOSA-N 2 2 357.458 0.797 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001130222887 1201552172 /nfs/dbraw/zinc/55/21/72/1201552172.db2.gz HPUGMMWJAYAEPJ-KBPBESRZSA-N 2 2 361.450 0.498 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001130222887 1201552176 /nfs/dbraw/zinc/55/21/76/1201552176.db2.gz HPUGMMWJAYAEPJ-KBPBESRZSA-N 2 2 361.450 0.498 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130237977 1201559784 /nfs/dbraw/zinc/55/97/84/1201559784.db2.gz NCVPIHKSQBHYHK-RDBSUJKOSA-N 2 2 368.457 0.337 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130237977 1201559789 /nfs/dbraw/zinc/55/97/89/1201559789.db2.gz NCVPIHKSQBHYHK-RDBSUJKOSA-N 2 2 368.457 0.337 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130237977 1201559792 /nfs/dbraw/zinc/55/97/92/1201559792.db2.gz NCVPIHKSQBHYHK-RDBSUJKOSA-N 2 2 368.457 0.337 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130237977 1201559795 /nfs/dbraw/zinc/55/97/95/1201559795.db2.gz NCVPIHKSQBHYHK-RDBSUJKOSA-N 2 2 368.457 0.337 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130242169 1201562761 /nfs/dbraw/zinc/56/27/61/1201562761.db2.gz JXWOXYDFIVIVHQ-GJZGRUSLSA-N 2 2 366.510 0.881 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H](O)C2)cn1 ZINC001219923249 1224683930 /nfs/dbraw/zinc/68/39/30/1224683930.db2.gz YRWDAPTXMOBEDI-SJORKVTESA-N 2 2 363.506 0.734 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H](O)C2)cn1 ZINC001219923249 1224683932 /nfs/dbraw/zinc/68/39/32/1224683932.db2.gz YRWDAPTXMOBEDI-SJORKVTESA-N 2 2 363.506 0.734 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H](O)C2)cn1 ZINC001219923249 1224683944 /nfs/dbraw/zinc/68/39/44/1224683944.db2.gz YRWDAPTXMOBEDI-SJORKVTESA-N 2 2 363.506 0.734 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H](O)C2)cn1 ZINC001219923249 1224683947 /nfs/dbraw/zinc/68/39/47/1224683947.db2.gz YRWDAPTXMOBEDI-SJORKVTESA-N 2 2 363.506 0.734 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940908 1224692724 /nfs/dbraw/zinc/69/27/24/1224692724.db2.gz IDBRGILUCGKQKH-AZUAARDMSA-N 3 2 373.545 0.765 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940908 1224692729 /nfs/dbraw/zinc/69/27/29/1224692729.db2.gz IDBRGILUCGKQKH-AZUAARDMSA-N 3 2 373.545 0.765 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001219949875 1224696460 /nfs/dbraw/zinc/69/64/60/1224696460.db2.gz YLQFKUNKEMAKBN-MSOLQXFVSA-N 2 2 358.442 0.926 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001219949875 1224696461 /nfs/dbraw/zinc/69/64/61/1224696461.db2.gz YLQFKUNKEMAKBN-MSOLQXFVSA-N 2 2 358.442 0.926 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209784 1202714308 /nfs/dbraw/zinc/71/43/08/1202714308.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 3 2 367.538 0.118 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209784 1202714310 /nfs/dbraw/zinc/71/43/10/1202714310.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209784 1202714312 /nfs/dbraw/zinc/71/43/12/1202714312.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 3 2 367.538 0.118 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209784 1202714314 /nfs/dbraw/zinc/71/43/14/1202714314.db2.gz DQQXMJGUCKGYKG-INIZCTEOSA-N 3 2 367.538 0.118 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3[nH]cc[nH+]3)n2)O1 ZINC001130781337 1202793726 /nfs/dbraw/zinc/79/37/26/1202793726.db2.gz ZEVZBRZVWOEWQO-QWHCGFSZSA-N 2 2 361.450 0.997 20 0 FCADLP C[NH+](C)C1(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CCC1 ZINC001130790001 1202798043 /nfs/dbraw/zinc/79/80/43/1202798043.db2.gz CJDHVUKKQKAZMK-QWHCGFSZSA-N 2 2 368.457 0.684 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3c[nH+]cc3C)n2)O1 ZINC001130792749 1202799989 /nfs/dbraw/zinc/79/99/89/1202799989.db2.gz WVBJIAZSYGEMMM-UONOGXRCSA-N 2 2 361.450 0.846 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CCC(C)(C)C3)n2)O1 ZINC001130809338 1202802288 /nfs/dbraw/zinc/80/22/88/1202802288.db2.gz SFBVTVLHAIGQHF-UONOGXRCSA-N 2 2 364.494 0.982 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CCC(C)(C)C3)n2)O1 ZINC001130809338 1202802289 /nfs/dbraw/zinc/80/22/89/1202802289.db2.gz SFBVTVLHAIGQHF-UONOGXRCSA-N 2 2 364.494 0.982 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078707 1224748756 /nfs/dbraw/zinc/74/87/56/1224748756.db2.gz ZEGZQMFSRYXUDZ-OIISXLGYSA-N 2 2 361.490 0.963 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078707 1224748760 /nfs/dbraw/zinc/74/87/60/1224748760.db2.gz ZEGZQMFSRYXUDZ-OIISXLGYSA-N 2 2 361.490 0.963 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1cnon1 ZINC001131059867 1202853913 /nfs/dbraw/zinc/85/39/13/1202853913.db2.gz NAZTVGGGUQVGJW-HUUCEWRRSA-N 2 2 361.450 0.229 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131076275 1202859855 /nfs/dbraw/zinc/85/98/55/1202859855.db2.gz KCVKMPLGLKZYGC-KLHDSHLOSA-N 2 2 372.473 0.488 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079298 1202860207 /nfs/dbraw/zinc/86/02/07/1202860207.db2.gz JWMNOFXSVQHHGL-HZPDHXFCSA-N 2 2 360.462 0.697 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131136606 1202871026 /nfs/dbraw/zinc/87/10/26/1202871026.db2.gz VODLTNSUMZXMNL-ARFHVFGLSA-N 2 2 360.462 0.362 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCCO ZINC001131136543 1202871087 /nfs/dbraw/zinc/87/10/87/1202871087.db2.gz RXCAFYUSXRNXKX-HZPDHXFCSA-N 2 2 360.462 0.363 20 0 FCADLP CC(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086664737 1202886942 /nfs/dbraw/zinc/88/69/42/1202886942.db2.gz BWVXXRYRJBVRSG-ZNMIVQPWSA-N 2 2 365.478 0.898 20 0 FCADLP CC(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086664737 1202886945 /nfs/dbraw/zinc/88/69/45/1202886945.db2.gz BWVXXRYRJBVRSG-ZNMIVQPWSA-N 2 2 365.478 0.898 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)nc(C2CC2)[nH+]1 ZINC001090500407 1202895059 /nfs/dbraw/zinc/89/50/59/1202895059.db2.gz UFTGMGCEGFUICA-HUUCEWRRSA-N 2 2 359.474 0.812 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131577757 1202916214 /nfs/dbraw/zinc/91/62/14/1202916214.db2.gz FZSIBAQLXVZEDX-QGTPRVQTSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131577757 1202916217 /nfs/dbraw/zinc/91/62/17/1202916217.db2.gz FZSIBAQLXVZEDX-QGTPRVQTSA-N 2 2 364.490 0.956 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131594929 1202918943 /nfs/dbraw/zinc/91/89/43/1202918943.db2.gz IKHWZNFKCKWBDC-BJZITVGISA-N 2 2 364.490 0.983 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001110103339 1202994971 /nfs/dbraw/zinc/99/49/71/1202994971.db2.gz PTHUDOJBYAXJCZ-IKGGRYGDSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001110103339 1202994973 /nfs/dbraw/zinc/99/49/73/1202994973.db2.gz PTHUDOJBYAXJCZ-IKGGRYGDSA-N 2 2 359.474 0.781 20 0 FCADLP COC(=O)[C@H]1[C@@H]2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@@H]21 ZINC000813615206 1203000034 /nfs/dbraw/zinc/00/00/34/1203000034.db2.gz OSEDZTQGCOLLIH-FVQHAEBGSA-N 2 2 364.490 0.605 20 0 FCADLP Cc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045385 1203010783 /nfs/dbraw/zinc/01/07/83/1203010783.db2.gz DNKLGORCDGQBAN-IAGOWNOFSA-N 2 2 369.469 0.854 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086731352 1203052272 /nfs/dbraw/zinc/05/22/72/1203052272.db2.gz HXTIQYLTCIIHNQ-LXTVHRRPSA-N 2 2 365.478 0.726 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086731352 1203052277 /nfs/dbraw/zinc/05/22/77/1203052277.db2.gz HXTIQYLTCIIHNQ-LXTVHRRPSA-N 2 2 365.478 0.726 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086732938 1203059770 /nfs/dbraw/zinc/05/97/70/1203059770.db2.gz LMBXFLFYEYFCMZ-LNSITVRQSA-N 2 2 369.425 0.856 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001086735593 1203061668 /nfs/dbraw/zinc/06/16/68/1203061668.db2.gz DVOIMRRZIHWTKU-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086735514 1203061750 /nfs/dbraw/zinc/06/17/50/1203061750.db2.gz AGESEOVBNAXLHK-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1C ZINC001220105922 1224766354 /nfs/dbraw/zinc/76/63/54/1224766354.db2.gz RVIQOYPJQABZAL-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](O)C2)cc1C ZINC001220105922 1224766362 /nfs/dbraw/zinc/76/63/62/1224766362.db2.gz RVIQOYPJQABZAL-SJORKVTESA-N 2 2 358.442 0.952 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1C ZINC001090719723 1203269512 /nfs/dbraw/zinc/26/95/12/1203269512.db2.gz KBHAMHWLGSZMAV-RHSMWYFYSA-N 2 2 360.506 0.746 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1C ZINC001090719723 1203269518 /nfs/dbraw/zinc/26/95/18/1203269518.db2.gz KBHAMHWLGSZMAV-RHSMWYFYSA-N 2 2 360.506 0.746 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001090719723 1203269521 /nfs/dbraw/zinc/26/95/21/1203269521.db2.gz KBHAMHWLGSZMAV-RHSMWYFYSA-N 2 2 360.506 0.746 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001090719723 1203269525 /nfs/dbraw/zinc/26/95/25/1203269525.db2.gz KBHAMHWLGSZMAV-RHSMWYFYSA-N 2 2 360.506 0.746 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001090842349 1203312316 /nfs/dbraw/zinc/31/23/16/1203312316.db2.gz NKMZZHWCVVHDEX-IUODEOHRSA-N 2 2 357.462 0.789 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220189072 1224798365 /nfs/dbraw/zinc/79/83/65/1224798365.db2.gz LDUYLWZPSKPDAX-GLQYFDAESA-N 2 2 364.396 0.460 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216531 1224805032 /nfs/dbraw/zinc/80/50/32/1224805032.db2.gz NCICWBHIYPUADN-FGTMMUONSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216531 1224805038 /nfs/dbraw/zinc/80/50/38/1224805038.db2.gz NCICWBHIYPUADN-FGTMMUONSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216531 1224805040 /nfs/dbraw/zinc/80/50/40/1224805040.db2.gz NCICWBHIYPUADN-FGTMMUONSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216531 1224805043 /nfs/dbraw/zinc/80/50/43/1224805043.db2.gz NCICWBHIYPUADN-FGTMMUONSA-N 2 2 369.506 0.074 20 0 FCADLP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@@H](O)C1 ZINC001220271587 1224818085 /nfs/dbraw/zinc/81/80/85/1224818085.db2.gz BASGQBLRKRHYSJ-BBWFWOEESA-N 2 2 365.478 0.199 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@@H](O)C1 ZINC001220271587 1224818087 /nfs/dbraw/zinc/81/80/87/1224818087.db2.gz BASGQBLRKRHYSJ-BBWFWOEESA-N 2 2 365.478 0.199 20 0 FCADLP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220271587 1224818090 /nfs/dbraw/zinc/81/80/90/1224818090.db2.gz BASGQBLRKRHYSJ-BBWFWOEESA-N 2 2 365.478 0.199 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220271587 1224818092 /nfs/dbraw/zinc/81/80/92/1224818092.db2.gz BASGQBLRKRHYSJ-BBWFWOEESA-N 2 2 365.478 0.199 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1O ZINC001220274703 1224818836 /nfs/dbraw/zinc/81/88/36/1224818836.db2.gz AXGPQZQVBASLBG-MOPGFXCFSA-N 2 2 371.485 0.544 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1O ZINC001220274703 1224818841 /nfs/dbraw/zinc/81/88/41/1224818841.db2.gz AXGPQZQVBASLBG-MOPGFXCFSA-N 2 2 371.485 0.544 20 0 FCADLP CC(C)C[C@H](O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001144172784 1204428908 /nfs/dbraw/zinc/42/89/08/1204428908.db2.gz JEPRMVMQVLFLKH-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)C[C@H](O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001144172784 1204428911 /nfs/dbraw/zinc/42/89/11/1204428911.db2.gz JEPRMVMQVLFLKH-INIZCTEOSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374594 1204496895 /nfs/dbraw/zinc/49/68/95/1204496895.db2.gz ARKULJJHGCKLDD-LSDHHAIUSA-N 2 2 372.510 0.668 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374594 1204496902 /nfs/dbraw/zinc/49/69/02/1204496902.db2.gz ARKULJJHGCKLDD-LSDHHAIUSA-N 2 2 372.510 0.668 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001091114498 1204512330 /nfs/dbraw/zinc/51/23/30/1204512330.db2.gz HVUDYJQYEHSAPR-SJORKVTESA-N 2 2 361.490 0.944 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091185020 1204579237 /nfs/dbraw/zinc/57/92/37/1204579237.db2.gz LVTHIZFLKGVSGF-CVEARBPZSA-N 2 2 363.506 0.991 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091185020 1204579244 /nfs/dbraw/zinc/57/92/44/1204579244.db2.gz LVTHIZFLKGVSGF-CVEARBPZSA-N 2 2 363.506 0.991 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358668 1224841935 /nfs/dbraw/zinc/84/19/35/1224841935.db2.gz WBRSVJMGMSSQKY-VVLHAWIVSA-N 3 2 360.458 0.251 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357412 1224842776 /nfs/dbraw/zinc/84/27/76/1224842776.db2.gz ILPVOLKLPWMUPE-SJORKVTESA-N 2 2 366.462 0.470 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357412 1224842777 /nfs/dbraw/zinc/84/27/77/1224842777.db2.gz ILPVOLKLPWMUPE-SJORKVTESA-N 2 2 366.462 0.470 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220359185 1224844053 /nfs/dbraw/zinc/84/40/53/1224844053.db2.gz FFWCHCCFDQWCJP-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220359185 1224844056 /nfs/dbraw/zinc/84/40/56/1224844056.db2.gz FFWCHCCFDQWCJP-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220359185 1224844057 /nfs/dbraw/zinc/84/40/57/1224844057.db2.gz FFWCHCCFDQWCJP-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)cn1 ZINC001220359185 1224844059 /nfs/dbraw/zinc/84/40/59/1224844059.db2.gz FFWCHCCFDQWCJP-CVEARBPZSA-N 2 2 364.490 0.729 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543640 1204707939 /nfs/dbraw/zinc/70/79/39/1204707939.db2.gz MIPXDAPOEVOLMD-VKJFTORMSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543640 1204707943 /nfs/dbraw/zinc/70/79/43/1204707943.db2.gz MIPXDAPOEVOLMD-VKJFTORMSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543640 1204707946 /nfs/dbraw/zinc/70/79/46/1204707946.db2.gz MIPXDAPOEVOLMD-VKJFTORMSA-N 2 2 361.494 0.458 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543640 1204707949 /nfs/dbraw/zinc/70/79/49/1204707949.db2.gz MIPXDAPOEVOLMD-VKJFTORMSA-N 2 2 361.494 0.458 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369583 1224846205 /nfs/dbraw/zinc/84/62/05/1224846205.db2.gz KORYUFNAYPLZAP-XHSDSOJGSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369583 1224846208 /nfs/dbraw/zinc/84/62/08/1224846208.db2.gz KORYUFNAYPLZAP-XHSDSOJGSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369583 1224846213 /nfs/dbraw/zinc/84/62/13/1224846213.db2.gz KORYUFNAYPLZAP-XHSDSOJGSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369583 1224846218 /nfs/dbraw/zinc/84/62/18/1224846218.db2.gz KORYUFNAYPLZAP-XHSDSOJGSA-N 2 2 370.538 0.383 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565087 1204726502 /nfs/dbraw/zinc/72/65/02/1204726502.db2.gz DSTJTPOSOVGLDO-AOIWGVFYSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565087 1204726505 /nfs/dbraw/zinc/72/65/05/1204726505.db2.gz DSTJTPOSOVGLDO-AOIWGVFYSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565087 1204726507 /nfs/dbraw/zinc/72/65/07/1204726507.db2.gz DSTJTPOSOVGLDO-AOIWGVFYSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565087 1204726510 /nfs/dbraw/zinc/72/65/10/1204726510.db2.gz DSTJTPOSOVGLDO-AOIWGVFYSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565767 1204727218 /nfs/dbraw/zinc/72/72/18/1204727218.db2.gz YLBVBCGETPOAGZ-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565767 1204727222 /nfs/dbraw/zinc/72/72/22/1204727222.db2.gz YLBVBCGETPOAGZ-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565767 1204727229 /nfs/dbraw/zinc/72/72/29/1204727229.db2.gz YLBVBCGETPOAGZ-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)ncn1 ZINC001091565767 1204727237 /nfs/dbraw/zinc/72/72/37/1204727237.db2.gz YLBVBCGETPOAGZ-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4C[N@@H+]([C@H]5CCNC5=O)C[C@@]4(C)C3)ccn12 ZINC001091670222 1204815333 /nfs/dbraw/zinc/81/53/33/1204815333.db2.gz CABDSVSHZGPCPM-GUXCAODWSA-N 2 2 367.453 0.925 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4C[N@H+]([C@H]5CCNC5=O)C[C@@]4(C)C3)ccn12 ZINC001091670222 1204815338 /nfs/dbraw/zinc/81/53/38/1204815338.db2.gz CABDSVSHZGPCPM-GUXCAODWSA-N 2 2 367.453 0.925 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147967873 1204815642 /nfs/dbraw/zinc/81/56/42/1204815642.db2.gz DMFFPBYPZJNDIO-QGZVFWFLSA-N 2 2 360.458 0.649 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147967873 1204815644 /nfs/dbraw/zinc/81/56/44/1204815644.db2.gz DMFFPBYPZJNDIO-QGZVFWFLSA-N 2 2 360.458 0.649 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nncn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091684575 1204821834 /nfs/dbraw/zinc/82/18/34/1204821834.db2.gz KJPJAWFKPIPLGS-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4nncn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091684575 1204821835 /nfs/dbraw/zinc/82/18/35/1204821835.db2.gz KJPJAWFKPIPLGS-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4nncn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091684575 1204821836 /nfs/dbraw/zinc/82/18/36/1204821836.db2.gz KJPJAWFKPIPLGS-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nncn4C)C[C@@]3(C)C2)CC[NH+]1C ZINC001091684575 1204821837 /nfs/dbraw/zinc/82/18/37/1204821837.db2.gz KJPJAWFKPIPLGS-OLMMMNRUSA-N 2 2 360.506 0.826 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844362 /nfs/dbraw/zinc/84/43/62/1204844362.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844363 /nfs/dbraw/zinc/84/43/63/1204844363.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844364 /nfs/dbraw/zinc/84/43/64/1204844364.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001091754158 1204844366 /nfs/dbraw/zinc/84/43/66/1204844366.db2.gz GSEMGOVBJFVGKO-NLDJYOPPSA-N 2 2 371.485 0.916 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)C1 ZINC001086880514 1204856017 /nfs/dbraw/zinc/85/60/17/1204856017.db2.gz DAQJNPNYHHVEFI-GVDBMIGSSA-N 2 2 361.490 0.880 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)C1 ZINC001086880514 1204856018 /nfs/dbraw/zinc/85/60/18/1204856018.db2.gz DAQJNPNYHHVEFI-GVDBMIGSSA-N 2 2 361.490 0.880 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC)C1 ZINC001086989885 1204882638 /nfs/dbraw/zinc/88/26/38/1204882638.db2.gz YOPRWOYKRQMINC-KSZLIROESA-N 2 2 363.506 0.825 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC)C1 ZINC001086989885 1204882639 /nfs/dbraw/zinc/88/26/39/1204882639.db2.gz YOPRWOYKRQMINC-KSZLIROESA-N 2 2 363.506 0.825 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2[NH2+]CCF)cn1 ZINC001086997364 1204887557 /nfs/dbraw/zinc/88/75/57/1204887557.db2.gz BGFWTHNXYRWZEB-LVQVYYBASA-N 2 2 360.437 0.811 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086999363 1204888859 /nfs/dbraw/zinc/88/88/59/1204888859.db2.gz CCJNIWVXSHWZKM-JKSUJKDBSA-N 2 2 369.429 0.767 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001087049662 1204926553 /nfs/dbraw/zinc/92/65/53/1204926553.db2.gz TUQYJGUUMLNNSQ-RBSFLKMASA-N 2 2 363.462 0.074 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001087088458 1204976387 /nfs/dbraw/zinc/97/63/87/1204976387.db2.gz ZCWWCXWURVNXJN-GDBMZVCRSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1ncccn1 ZINC001087088242 1204977172 /nfs/dbraw/zinc/97/71/72/1204977172.db2.gz PJHRFXAVGICIDY-SQWLQELKSA-N 2 2 358.446 0.957 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001087098864 1204993832 /nfs/dbraw/zinc/99/38/32/1204993832.db2.gz QWJHCMVSWHTAMV-UKRRQHHQSA-N 2 2 361.450 0.340 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001087103837 1205002130 /nfs/dbraw/zinc/00/21/30/1205002130.db2.gz DBXVSYNKBNMUOD-ZIAGYGMSSA-N 2 2 362.434 0.482 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)no1 ZINC001091780769 1205026095 /nfs/dbraw/zinc/02/60/95/1205026095.db2.gz ZEPWYDVUPAUUIA-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)no1 ZINC001091780769 1205026099 /nfs/dbraw/zinc/02/60/99/1205026099.db2.gz ZEPWYDVUPAUUIA-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)no1 ZINC001091780769 1205026102 /nfs/dbraw/zinc/02/61/02/1205026102.db2.gz ZEPWYDVUPAUUIA-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)no1 ZINC001091780769 1205026106 /nfs/dbraw/zinc/02/61/06/1205026106.db2.gz ZEPWYDVUPAUUIA-LFEHRJTNSA-N 2 2 362.474 0.982 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)c[nH+]1 ZINC001091780197 1205026792 /nfs/dbraw/zinc/02/67/92/1205026792.db2.gz ZAMNSYRVAPWPFK-VCBZYWHSSA-N 2 2 359.474 0.595 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)c[nH+]1 ZINC001091780197 1205026793 /nfs/dbraw/zinc/02/67/93/1205026793.db2.gz ZAMNSYRVAPWPFK-VCBZYWHSSA-N 2 2 359.474 0.595 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001091857572 1205052712 /nfs/dbraw/zinc/05/27/12/1205052712.db2.gz MXGCKOZHODXJAV-CPUCHLNUSA-N 2 2 358.450 0.257 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001091857572 1205052717 /nfs/dbraw/zinc/05/27/17/1205052717.db2.gz MXGCKOZHODXJAV-CPUCHLNUSA-N 2 2 358.450 0.257 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001091876673 1205061568 /nfs/dbraw/zinc/06/15/68/1205061568.db2.gz QYHBZRYHUDFDBF-CLCXKQKWSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001091876673 1205061573 /nfs/dbraw/zinc/06/15/73/1205061573.db2.gz QYHBZRYHUDFDBF-CLCXKQKWSA-N 2 2 359.474 0.412 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898876 1205077397 /nfs/dbraw/zinc/07/73/97/1205077397.db2.gz WQHCQTJBIIKLAK-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091898876 1205077403 /nfs/dbraw/zinc/07/74/03/1205077403.db2.gz WQHCQTJBIIKLAK-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975773 1205105948 /nfs/dbraw/zinc/10/59/48/1205105948.db2.gz XMSFYVWOVSMRST-JOQOYGCGSA-N 2 2 361.494 0.393 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975773 1205105950 /nfs/dbraw/zinc/10/59/50/1205105950.db2.gz XMSFYVWOVSMRST-JOQOYGCGSA-N 2 2 361.494 0.393 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092022522 1205120395 /nfs/dbraw/zinc/12/03/95/1205120395.db2.gz XIVYCXHQMUHDCX-VKJFTORMSA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092022522 1205120399 /nfs/dbraw/zinc/12/03/99/1205120399.db2.gz XIVYCXHQMUHDCX-VKJFTORMSA-N 2 2 363.510 0.704 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](Cc4nnnn4C)C[C@@]3(C)C2)CC1 ZINC001092130489 1205169576 /nfs/dbraw/zinc/16/95/76/1205169576.db2.gz XDGNGASHKNCRBT-QAPCUYQASA-N 2 2 361.494 0.222 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](Cc4nnnn4C)C[C@@]3(C)C2)CC1 ZINC001092130489 1205169581 /nfs/dbraw/zinc/16/95/81/1205169581.db2.gz XDGNGASHKNCRBT-QAPCUYQASA-N 2 2 361.494 0.222 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)n1 ZINC001092137816 1205178803 /nfs/dbraw/zinc/17/88/03/1205178803.db2.gz POHJGBXUMMWFJP-QAPCUYQASA-N 2 2 357.462 0.641 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)n1 ZINC001092137816 1205178826 /nfs/dbraw/zinc/17/88/26/1205178826.db2.gz POHJGBXUMMWFJP-QAPCUYQASA-N 2 2 357.462 0.641 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198033 1205193594 /nfs/dbraw/zinc/19/35/94/1205193594.db2.gz CMIGSYYSMDVTRX-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198033 1205193604 /nfs/dbraw/zinc/19/36/04/1205193604.db2.gz CMIGSYYSMDVTRX-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198033 1205193611 /nfs/dbraw/zinc/19/36/11/1205193611.db2.gz CMIGSYYSMDVTRX-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198033 1205193615 /nfs/dbraw/zinc/19/36/15/1205193615.db2.gz CMIGSYYSMDVTRX-MDZRGWNJSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092200671 1205194741 /nfs/dbraw/zinc/19/47/41/1205194741.db2.gz MVYOQYNSTGGVKT-BEFAXECRSA-N 2 2 371.489 0.863 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092200671 1205194745 /nfs/dbraw/zinc/19/47/45/1205194745.db2.gz MVYOQYNSTGGVKT-BEFAXECRSA-N 2 2 371.489 0.863 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092199792 1205195238 /nfs/dbraw/zinc/19/52/38/1205195238.db2.gz PIDINXMFNVLEAC-VCBZYWHSSA-N 2 2 369.473 0.522 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@@]2(C)C1 ZINC001092199792 1205195245 /nfs/dbraw/zinc/19/52/45/1205195245.db2.gz PIDINXMFNVLEAC-VCBZYWHSSA-N 2 2 369.473 0.522 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092201005 1205196508 /nfs/dbraw/zinc/19/65/08/1205196508.db2.gz TUQVARHENXAZNX-KDOFPFPSSA-N 2 2 357.462 0.555 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092201005 1205196512 /nfs/dbraw/zinc/19/65/12/1205196512.db2.gz TUQVARHENXAZNX-KDOFPFPSSA-N 2 2 357.462 0.555 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092242536 1205210093 /nfs/dbraw/zinc/21/00/93/1205210093.db2.gz PAVWGAVJZHUQCR-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@]2(C)C1 ZINC001092242536 1205210100 /nfs/dbraw/zinc/21/01/00/1205210100.db2.gz PAVWGAVJZHUQCR-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1C ZINC001092275529 1205222741 /nfs/dbraw/zinc/22/27/41/1205222741.db2.gz HFWZWHNHXFEEOR-BEFAXECRSA-N 2 2 360.506 0.754 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)n1C ZINC001092275529 1205222752 /nfs/dbraw/zinc/22/27/52/1205222752.db2.gz HFWZWHNHXFEEOR-BEFAXECRSA-N 2 2 360.506 0.754 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301246 1205234951 /nfs/dbraw/zinc/23/49/51/1205234951.db2.gz AEJIHSSNDSWYRD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301246 1205234955 /nfs/dbraw/zinc/23/49/55/1205234955.db2.gz AEJIHSSNDSWYRD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301246 1205234959 /nfs/dbraw/zinc/23/49/59/1205234959.db2.gz AEJIHSSNDSWYRD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092301246 1205234961 /nfs/dbraw/zinc/23/49/61/1205234961.db2.gz AEJIHSSNDSWYRD-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2 ZINC001092318484 1205246396 /nfs/dbraw/zinc/24/63/96/1205246396.db2.gz AYFCMSMCJMVJHY-BEFAXECRSA-N 2 2 359.474 0.722 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(=O)NC1CCCC1)C2 ZINC001092318484 1205246401 /nfs/dbraw/zinc/24/64/01/1205246401.db2.gz AYFCMSMCJMVJHY-BEFAXECRSA-N 2 2 359.474 0.722 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092507397 1205297495 /nfs/dbraw/zinc/29/74/95/1205297495.db2.gz DOPWMNYZWCEMBV-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092507397 1205297499 /nfs/dbraw/zinc/29/74/99/1205297499.db2.gz DOPWMNYZWCEMBV-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092507397 1205297502 /nfs/dbraw/zinc/29/75/02/1205297502.db2.gz DOPWMNYZWCEMBV-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092507397 1205297505 /nfs/dbraw/zinc/29/75/05/1205297505.db2.gz DOPWMNYZWCEMBV-BMFZPTHFSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001092519961 1205301965 /nfs/dbraw/zinc/30/19/65/1205301965.db2.gz OOVHQUPRMFITJX-KFWWJZLASA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001092519961 1205301968 /nfs/dbraw/zinc/30/19/68/1205301968.db2.gz OOVHQUPRMFITJX-KFWWJZLASA-N 2 2 371.489 0.894 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460135 1224879962 /nfs/dbraw/zinc/87/99/62/1224879962.db2.gz AQIPLWVUUJVTJC-HNNXBMFYSA-N 2 2 363.462 0.892 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620452 1205330137 /nfs/dbraw/zinc/33/01/37/1205330137.db2.gz JCCSYYXBLSZJAI-KLHDSHLOSA-N 2 2 363.510 0.778 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620452 1205330139 /nfs/dbraw/zinc/33/01/39/1205330139.db2.gz JCCSYYXBLSZJAI-KLHDSHLOSA-N 2 2 363.510 0.778 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620452 1205330142 /nfs/dbraw/zinc/33/01/42/1205330142.db2.gz JCCSYYXBLSZJAI-KLHDSHLOSA-N 2 2 363.510 0.778 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620452 1205330144 /nfs/dbraw/zinc/33/01/44/1205330144.db2.gz JCCSYYXBLSZJAI-KLHDSHLOSA-N 2 2 363.510 0.778 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675422 1205336784 /nfs/dbraw/zinc/33/67/84/1205336784.db2.gz GCWGCDXPNCGYPQ-RBSFLKMASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675422 1205336788 /nfs/dbraw/zinc/33/67/88/1205336788.db2.gz GCWGCDXPNCGYPQ-RBSFLKMASA-N 2 2 357.462 0.773 20 0 FCADLP CC(C)(C)C(=O)N1CCC(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)CC1 ZINC001220494272 1224892273 /nfs/dbraw/zinc/89/22/73/1224892273.db2.gz IKPKVVWGNBTCIT-MRXNPFEDSA-N 2 2 367.538 0.138 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911796 1205941362 /nfs/dbraw/zinc/94/13/62/1205941362.db2.gz YTUHOXUEFJFRAX-UNEWFSDZSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911796 1205941366 /nfs/dbraw/zinc/94/13/66/1205941366.db2.gz YTUHOXUEFJFRAX-UNEWFSDZSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911796 1205941369 /nfs/dbraw/zinc/94/13/69/1205941369.db2.gz YTUHOXUEFJFRAX-UNEWFSDZSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911796 1205941372 /nfs/dbraw/zinc/94/13/72/1205941372.db2.gz YTUHOXUEFJFRAX-UNEWFSDZSA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001092958468 1205956040 /nfs/dbraw/zinc/95/60/40/1205956040.db2.gz ZTNYQGOZSIDNQG-KFWWJZLASA-N 2 2 359.474 0.746 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001092958468 1205956047 /nfs/dbraw/zinc/95/60/47/1205956047.db2.gz ZTNYQGOZSIDNQG-KFWWJZLASA-N 2 2 359.474 0.746 20 0 FCADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553157 1224925112 /nfs/dbraw/zinc/92/51/12/1224925112.db2.gz ASPIIZBBWPEHRA-OLMNPRSZSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553157 1224925120 /nfs/dbraw/zinc/92/51/20/1224925120.db2.gz ASPIIZBBWPEHRA-OLMNPRSZSA-N 2 2 365.449 0.770 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220547732 1224921167 /nfs/dbraw/zinc/92/11/67/1224921167.db2.gz DMWOUGUZBUJWKD-SJORKVTESA-N 2 2 360.462 0.109 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220547732 1224921176 /nfs/dbraw/zinc/92/11/76/1224921176.db2.gz DMWOUGUZBUJWKD-SJORKVTESA-N 2 2 360.462 0.109 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125184 1206029166 /nfs/dbraw/zinc/02/91/66/1206029166.db2.gz FZRMZPWMZACKJA-CKEIUWERSA-N 2 2 370.457 0.829 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125184 1206029171 /nfs/dbraw/zinc/02/91/71/1206029171.db2.gz FZRMZPWMZACKJA-CKEIUWERSA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553779 1224926717 /nfs/dbraw/zinc/92/67/17/1224926717.db2.gz SJPOZLVJPLSYLP-QGTPRVQTSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553779 1224926730 /nfs/dbraw/zinc/92/67/30/1224926730.db2.gz SJPOZLVJPLSYLP-QGTPRVQTSA-N 2 2 365.449 0.770 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001093280265 1206071204 /nfs/dbraw/zinc/07/12/04/1206071204.db2.gz MNHXSEHXTLVVBF-FMKPAKJESA-N 2 2 360.458 0.595 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691397 1206101113 /nfs/dbraw/zinc/10/11/13/1206101113.db2.gz TXGIXVMNQZVVTN-KFWWJZLASA-N 2 2 365.478 0.708 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691397 1206101118 /nfs/dbraw/zinc/10/11/18/1206101118.db2.gz TXGIXVMNQZVVTN-KFWWJZLASA-N 2 2 365.478 0.708 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+][C@H]3CCN(C)C3=O)[C@H](C)C2)c[nH+]1 ZINC001093853904 1206133328 /nfs/dbraw/zinc/13/33/28/1206133328.db2.gz CTSPGHWHDTVMKY-BMFZPTHFSA-N 2 2 361.490 0.841 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001093813696 1206133807 /nfs/dbraw/zinc/13/38/07/1206133807.db2.gz VMAFJMTZJPHSHS-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001093813696 1206133810 /nfs/dbraw/zinc/13/38/10/1206133810.db2.gz VMAFJMTZJPHSHS-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093873283 1206138896 /nfs/dbraw/zinc/13/88/96/1206138896.db2.gz IMJSXHBDYYJSKR-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093873310 1206139137 /nfs/dbraw/zinc/13/91/37/1206139137.db2.gz JRFOTTFJNMYSMQ-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)[nH]1 ZINC001093873163 1206139169 /nfs/dbraw/zinc/13/91/69/1206139169.db2.gz IICLEUCEVSHBLH-BPLDGKMQSA-N 2 2 357.462 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001094074976 1206179675 /nfs/dbraw/zinc/17/96/75/1206179675.db2.gz RFOVERQTXCNRQF-CPUCHLNUSA-N 2 2 359.474 0.790 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094114187 1206186576 /nfs/dbraw/zinc/18/65/76/1206186576.db2.gz YMFOMNCRKKTULU-HUUCEWRRSA-N 2 2 365.478 0.538 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)nn1 ZINC001094190074 1206204987 /nfs/dbraw/zinc/20/49/87/1206204987.db2.gz YGIKLWCCDSVQRK-TZMCWYRMSA-N 2 2 358.446 0.944 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094232066 1206208580 /nfs/dbraw/zinc/20/85/80/1206208580.db2.gz LEXYZSUUYXCTTJ-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001094232066 1206208581 /nfs/dbraw/zinc/20/85/81/1206208581.db2.gz LEXYZSUUYXCTTJ-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560540 1206238686 /nfs/dbraw/zinc/23/86/86/1206238686.db2.gz RXOIRVXNZBHAGV-RHSMWYFYSA-N 2 2 359.478 0.167 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560540 1206238687 /nfs/dbraw/zinc/23/86/87/1206238687.db2.gz RXOIRVXNZBHAGV-RHSMWYFYSA-N 2 2 359.478 0.167 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110159322 1206240195 /nfs/dbraw/zinc/24/01/95/1206240195.db2.gz KSLFBRZCVPOWCU-PMPSAXMXSA-N 2 2 372.473 0.584 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110159322 1206240197 /nfs/dbraw/zinc/24/01/97/1206240197.db2.gz KSLFBRZCVPOWCU-PMPSAXMXSA-N 2 2 372.473 0.584 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110159322 1206240198 /nfs/dbraw/zinc/24/01/98/1206240198.db2.gz KSLFBRZCVPOWCU-PMPSAXMXSA-N 2 2 372.473 0.584 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110159322 1206240199 /nfs/dbraw/zinc/24/01/99/1206240199.db2.gz KSLFBRZCVPOWCU-PMPSAXMXSA-N 2 2 372.473 0.584 20 0 FCADLP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220567724 1224938392 /nfs/dbraw/zinc/93/83/92/1224938392.db2.gz KFMNIIKDXKLWRV-IRXDYDNUSA-N 2 2 356.426 0.944 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)c3cc4n(n3)CCC[N@H+](C)C4)ncn2)CC1 ZINC001175035527 1206298699 /nfs/dbraw/zinc/29/86/99/1206298699.db2.gz IPJBWWVXYHINON-UHFFFAOYSA-N 2 2 370.461 0.513 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)c3cc4n(n3)CCC[N@@H+](C)C4)ncn2)CC1 ZINC001175035527 1206298701 /nfs/dbraw/zinc/29/87/01/1206298701.db2.gz IPJBWWVXYHINON-UHFFFAOYSA-N 2 2 370.461 0.513 20 0 FCADLP C[C@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357710 1206304040 /nfs/dbraw/zinc/30/40/40/1206304040.db2.gz ICQFWURXOQVQTE-MGPQQGTHSA-N 2 2 360.466 0.512 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O)C(C)C ZINC001220572622 1224942173 /nfs/dbraw/zinc/94/21/73/1224942173.db2.gz DAZZYNMLFLYYOJ-SOLBZPMBSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O)C(C)C ZINC001220572622 1224942179 /nfs/dbraw/zinc/94/21/79/1224942179.db2.gz DAZZYNMLFLYYOJ-SOLBZPMBSA-N 2 2 368.522 0.137 20 0 FCADLP Cc1[nH]c(C2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)[nH+]c1C ZINC001176202883 1206311584 /nfs/dbraw/zinc/31/15/84/1206311584.db2.gz QQHOHNFTRUOPGO-UHFFFAOYSA-N 2 2 374.445 0.068 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1 ZINC001110196188 1206315760 /nfs/dbraw/zinc/31/57/60/1206315760.db2.gz YDTDWHNACIOHCW-LMSBXDPUSA-N 2 2 374.441 0.775 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCc1ccco1 ZINC001110196188 1206315763 /nfs/dbraw/zinc/31/57/63/1206315763.db2.gz YDTDWHNACIOHCW-LMSBXDPUSA-N 2 2 374.441 0.775 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1 ZINC001110196187 1206315899 /nfs/dbraw/zinc/31/58/99/1206315899.db2.gz YDTDWHNACIOHCW-FZCLSBEQSA-N 2 2 374.441 0.775 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCc1ccco1 ZINC001110196187 1206315902 /nfs/dbraw/zinc/31/59/02/1206315902.db2.gz YDTDWHNACIOHCW-FZCLSBEQSA-N 2 2 374.441 0.775 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O)C(C)C ZINC001220575624 1224943341 /nfs/dbraw/zinc/94/33/41/1224943341.db2.gz ZDTNCWNXHWJZMM-IXDOHACOSA-N 2 2 368.522 0.040 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O)C(C)C ZINC001220575624 1224943355 /nfs/dbraw/zinc/94/33/55/1224943355.db2.gz ZDTNCWNXHWJZMM-IXDOHACOSA-N 2 2 368.522 0.040 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177210685 1206331649 /nfs/dbraw/zinc/33/16/49/1206331649.db2.gz SXFZERTZJBBIKP-QGZVFWFLSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001177210685 1206331652 /nfs/dbraw/zinc/33/16/52/1206331652.db2.gz SXFZERTZJBBIKP-QGZVFWFLSA-N 2 2 360.458 0.609 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001177994523 1206351223 /nfs/dbraw/zinc/35/12/23/1206351223.db2.gz XGJCVRHYEIJNIC-UHFFFAOYSA-N 2 2 353.386 0.999 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220584851 1224948740 /nfs/dbraw/zinc/94/87/40/1224948740.db2.gz MJQWVGDJVDCCSX-BBWFWOEESA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220584851 1224948747 /nfs/dbraw/zinc/94/87/47/1224948747.db2.gz MJQWVGDJVDCCSX-BBWFWOEESA-N 2 2 370.538 0.523 20 0 FCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001179013842 1206370653 /nfs/dbraw/zinc/37/06/53/1206370653.db2.gz DIJNCGVMCZUALC-SFHVURJKSA-N 2 2 366.506 0.156 20 0 FCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001179013842 1206370656 /nfs/dbraw/zinc/37/06/56/1206370656.db2.gz DIJNCGVMCZUALC-SFHVURJKSA-N 2 2 366.506 0.156 20 0 FCADLP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001179191485 1206378217 /nfs/dbraw/zinc/37/82/17/1206378217.db2.gz UHIRYHQKEMVNTQ-MHORFTMASA-N 2 2 369.506 0.482 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001180758198 1206399024 /nfs/dbraw/zinc/39/90/24/1206399024.db2.gz AGDBNNFGQUNNMJ-QFBILLFUSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180758198 1206399026 /nfs/dbraw/zinc/39/90/26/1206399026.db2.gz AGDBNNFGQUNNMJ-QFBILLFUSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758198 1206399029 /nfs/dbraw/zinc/39/90/29/1206399029.db2.gz AGDBNNFGQUNNMJ-QFBILLFUSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@@]1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC001180758198 1206399031 /nfs/dbraw/zinc/39/90/31/1206399031.db2.gz AGDBNNFGQUNNMJ-QFBILLFUSA-N 2 2 361.442 0.251 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181248772 1206406658 /nfs/dbraw/zinc/40/66/58/1206406658.db2.gz OPBRGRFMIQPZLJ-UHFFFAOYSA-N 2 2 359.474 0.752 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[NH+]3C(C)C)C2)C1 ZINC001182838204 1206444619 /nfs/dbraw/zinc/44/46/19/1206444619.db2.gz MWHFNVWEQPNONI-LPHOPBHVSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[NH+]3C(C)C)C2)C1 ZINC001182838204 1206444621 /nfs/dbraw/zinc/44/46/21/1206444621.db2.gz MWHFNVWEQPNONI-LPHOPBHVSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@@H+]3C(C)C)C2)C1 ZINC001182838204 1206444623 /nfs/dbraw/zinc/44/46/23/1206444623.db2.gz MWHFNVWEQPNONI-LPHOPBHVSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@H+]3C(C)C)C2)C1 ZINC001182838204 1206444624 /nfs/dbraw/zinc/44/46/24/1206444624.db2.gz MWHFNVWEQPNONI-LPHOPBHVSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001183373306 1206453053 /nfs/dbraw/zinc/45/30/53/1206453053.db2.gz QUEGQDYPWNTJHA-FZNQNYSPSA-N 2 2 370.457 0.561 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CCc3ccc(N)[nH+]c3)CC[C@@H]2C1 ZINC001183933295 1206462057 /nfs/dbraw/zinc/46/20/57/1206462057.db2.gz KUSDQBHTACONMG-IAGOWNOFSA-N 2 2 362.474 0.792 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CCc3ccc(N)[nH+]c3)CC[C@@H]2C1 ZINC001183933295 1206462058 /nfs/dbraw/zinc/46/20/58/1206462058.db2.gz KUSDQBHTACONMG-IAGOWNOFSA-N 2 2 362.474 0.792 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258446 1206478028 /nfs/dbraw/zinc/47/80/28/1206478028.db2.gz SVUGXLOZUGTTSC-MOPGFXCFSA-N 2 2 360.502 0.764 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258446 1206478029 /nfs/dbraw/zinc/47/80/29/1206478029.db2.gz SVUGXLOZUGTTSC-MOPGFXCFSA-N 2 2 360.502 0.764 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)NC3CCCC3)CC2)C1=O ZINC001185877873 1206488512 /nfs/dbraw/zinc/48/85/12/1206488512.db2.gz BARBJTJDTYMAOA-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)NC3CCCC3)CC2)C1=O ZINC001185877873 1206488515 /nfs/dbraw/zinc/48/85/15/1206488515.db2.gz BARBJTJDTYMAOA-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001186037474 1206491568 /nfs/dbraw/zinc/49/15/68/1206491568.db2.gz HQWZJEOZVTXYBZ-MKSNKDDYSA-N 2 2 360.458 0.248 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001186037474 1206491570 /nfs/dbraw/zinc/49/15/70/1206491570.db2.gz HQWZJEOZVTXYBZ-MKSNKDDYSA-N 2 2 360.458 0.248 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599841 1224959209 /nfs/dbraw/zinc/95/92/09/1224959209.db2.gz ODJBMCMEWKXMAQ-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599841 1224959216 /nfs/dbraw/zinc/95/92/16/1224959216.db2.gz ODJBMCMEWKXMAQ-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@H+](CCOCCO)C[C@H]43)ccn12 ZINC001187924606 1207401010 /nfs/dbraw/zinc/40/10/10/1207401010.db2.gz AJCHUMXNUXFUBI-DLBZAZTESA-N 2 2 358.442 0.798 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@@H+](CCOCCO)C[C@H]43)ccn12 ZINC001187924606 1207401013 /nfs/dbraw/zinc/40/10/13/1207401013.db2.gz AJCHUMXNUXFUBI-DLBZAZTESA-N 2 2 358.442 0.798 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205830 1207434904 /nfs/dbraw/zinc/43/49/04/1207434904.db2.gz ZBBDCRAHDCJUDW-HRCADAONSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205830 1207434907 /nfs/dbraw/zinc/43/49/07/1207434907.db2.gz ZBBDCRAHDCJUDW-HRCADAONSA-N 2 2 359.474 0.818 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)NCC1CC1 ZINC001188205652 1207435182 /nfs/dbraw/zinc/43/51/82/1207435182.db2.gz QRAHPHKYTQQAME-GVDBMIGSSA-N 2 2 371.485 0.819 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)NCC1CC1 ZINC001188205652 1207435184 /nfs/dbraw/zinc/43/51/84/1207435184.db2.gz QRAHPHKYTQQAME-GVDBMIGSSA-N 2 2 371.485 0.819 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560268 1207455320 /nfs/dbraw/zinc/45/53/20/1207455320.db2.gz LPULKVJKXLWWPR-NUEKZKHPSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560268 1207455324 /nfs/dbraw/zinc/45/53/24/1207455324.db2.gz LPULKVJKXLWWPR-NUEKZKHPSA-N 2 2 361.490 0.971 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(F)c[nH]3)CC2)C1=O ZINC001188480747 1207455690 /nfs/dbraw/zinc/45/56/90/1207455690.db2.gz DAGRPTBPAGORNL-UHFFFAOYSA-N 2 2 365.453 0.464 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(F)c[nH]3)CC2)C1=O ZINC001188480747 1207455693 /nfs/dbraw/zinc/45/56/93/1207455693.db2.gz DAGRPTBPAGORNL-UHFFFAOYSA-N 2 2 365.453 0.464 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000867043176 1207469387 /nfs/dbraw/zinc/46/93/87/1207469387.db2.gz HKHLZDULOXAJMZ-YSDNAHFUSA-N 2 2 373.497 0.874 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000867043176 1207469388 /nfs/dbraw/zinc/46/93/88/1207469388.db2.gz HKHLZDULOXAJMZ-YSDNAHFUSA-N 2 2 373.497 0.874 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001189046563 1207497337 /nfs/dbraw/zinc/49/73/37/1207497337.db2.gz XNKOVDPJXHSVPQ-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001189046563 1207497344 /nfs/dbraw/zinc/49/73/44/1207497344.db2.gz XNKOVDPJXHSVPQ-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001189046563 1207497351 /nfs/dbraw/zinc/49/73/51/1207497351.db2.gz XNKOVDPJXHSVPQ-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001189046563 1207497358 /nfs/dbraw/zinc/49/73/58/1207497358.db2.gz XNKOVDPJXHSVPQ-RYQLBKOJSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054339 1207498980 /nfs/dbraw/zinc/49/89/80/1207498980.db2.gz DOMPNWNTHGARTH-SOUVJXGZSA-N 2 2 360.462 0.288 20 0 FCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054339 1207498983 /nfs/dbraw/zinc/49/89/83/1207498983.db2.gz DOMPNWNTHGARTH-SOUVJXGZSA-N 2 2 360.462 0.288 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001189260812 1207528416 /nfs/dbraw/zinc/52/84/16/1207528416.db2.gz GFRJVYSTHWJACI-HYVNUMGLSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001189260812 1207528423 /nfs/dbraw/zinc/52/84/23/1207528423.db2.gz GFRJVYSTHWJACI-HYVNUMGLSA-N 2 2 359.474 0.893 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189470695 1207551336 /nfs/dbraw/zinc/55/13/36/1207551336.db2.gz JYWSLYUBVMPIBG-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189470695 1207551348 /nfs/dbraw/zinc/55/13/48/1207551348.db2.gz JYWSLYUBVMPIBG-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220673693 1225005711 /nfs/dbraw/zinc/00/57/11/1225005711.db2.gz IZQXEZQKOMWNBP-SJORKVTESA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220673693 1225005721 /nfs/dbraw/zinc/00/57/21/1225005721.db2.gz IZQXEZQKOMWNBP-SJORKVTESA-N 2 2 354.458 0.957 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786241 1207600659 /nfs/dbraw/zinc/60/06/59/1207600659.db2.gz BHLHZQDGSNNHEC-CGTJXYLNSA-N 2 2 364.490 0.529 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786241 1207600666 /nfs/dbraw/zinc/60/06/66/1207600666.db2.gz BHLHZQDGSNNHEC-CGTJXYLNSA-N 2 2 364.490 0.529 20 0 FCADLP CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189820102 1207605756 /nfs/dbraw/zinc/60/57/56/1207605756.db2.gz PGDGXVZRDHGABT-SOUVJXGZSA-N 2 2 365.478 0.804 20 0 FCADLP CCc1nnc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189820102 1207605759 /nfs/dbraw/zinc/60/57/59/1207605759.db2.gz PGDGXVZRDHGABT-SOUVJXGZSA-N 2 2 365.478 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189953028 1207628236 /nfs/dbraw/zinc/62/82/36/1207628236.db2.gz IOBRZSHLXYQXGK-XYJFISCASA-N 2 2 364.490 0.827 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001189953028 1207628242 /nfs/dbraw/zinc/62/82/42/1207628242.db2.gz IOBRZSHLXYQXGK-XYJFISCASA-N 2 2 364.490 0.827 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)NCc1ccco1 ZINC001190169319 1207656501 /nfs/dbraw/zinc/65/65/01/1207656501.db2.gz YUTDXTVOJCFEDP-DOTOQJQBSA-N 2 2 360.458 0.524 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)NCc1ccco1 ZINC001190169319 1207656510 /nfs/dbraw/zinc/65/65/10/1207656510.db2.gz YUTDXTVOJCFEDP-DOTOQJQBSA-N 2 2 360.458 0.524 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001190178336 1207657430 /nfs/dbraw/zinc/65/74/30/1207657430.db2.gz XKUUVSRXTFIRLS-BHYGNILZSA-N 2 2 361.490 0.980 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001190178336 1207657434 /nfs/dbraw/zinc/65/74/34/1207657434.db2.gz XKUUVSRXTFIRLS-BHYGNILZSA-N 2 2 361.490 0.980 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001190247825 1207667751 /nfs/dbraw/zinc/66/77/51/1207667751.db2.gz SXIKMAMKMFUOQS-QLFBSQMISA-N 2 2 363.462 0.876 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001190247825 1207667755 /nfs/dbraw/zinc/66/77/55/1207667755.db2.gz SXIKMAMKMFUOQS-QLFBSQMISA-N 2 2 363.462 0.876 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001190247825 1207667758 /nfs/dbraw/zinc/66/77/58/1207667758.db2.gz SXIKMAMKMFUOQS-QLFBSQMISA-N 2 2 363.462 0.876 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001190247825 1207667764 /nfs/dbraw/zinc/66/77/64/1207667764.db2.gz SXIKMAMKMFUOQS-QLFBSQMISA-N 2 2 363.462 0.876 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481650 1207687331 /nfs/dbraw/zinc/68/73/31/1207687331.db2.gz ZSJIOOQSZIAVER-IXDOHACOSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481650 1207687332 /nfs/dbraw/zinc/68/73/32/1207687332.db2.gz ZSJIOOQSZIAVER-IXDOHACOSA-N 2 2 361.490 0.967 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220688438 1225014713 /nfs/dbraw/zinc/01/47/13/1225014713.db2.gz GNRFIYWNCBJJEG-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220688438 1225014725 /nfs/dbraw/zinc/01/47/25/1225014725.db2.gz GNRFIYWNCBJJEG-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220688438 1225014738 /nfs/dbraw/zinc/01/47/38/1225014738.db2.gz GNRFIYWNCBJJEG-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220688438 1225014748 /nfs/dbraw/zinc/01/47/48/1225014748.db2.gz GNRFIYWNCBJJEG-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689229 1225015061 /nfs/dbraw/zinc/01/50/61/1225015061.db2.gz APEHJXMTFBCNLK-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689229 1225015068 /nfs/dbraw/zinc/01/50/68/1225015068.db2.gz APEHJXMTFBCNLK-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689229 1225015075 /nfs/dbraw/zinc/01/50/75/1225015075.db2.gz APEHJXMTFBCNLK-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689229 1225015087 /nfs/dbraw/zinc/01/50/87/1225015087.db2.gz APEHJXMTFBCNLK-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220688571 1225015770 /nfs/dbraw/zinc/01/57/70/1225015770.db2.gz KVSBEQVZQMDZSG-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220688571 1225015781 /nfs/dbraw/zinc/01/57/81/1225015781.db2.gz KVSBEQVZQMDZSG-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220688571 1225015793 /nfs/dbraw/zinc/01/57/93/1225015793.db2.gz KVSBEQVZQMDZSG-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220688571 1225015803 /nfs/dbraw/zinc/01/58/03/1225015803.db2.gz KVSBEQVZQMDZSG-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001192580491 1207838567 /nfs/dbraw/zinc/83/85/67/1207838567.db2.gz GABIDWJKISZTLL-BZUAXINKSA-N 2 2 366.462 0.089 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@H]1O ZINC001192580491 1207838569 /nfs/dbraw/zinc/83/85/69/1207838569.db2.gz GABIDWJKISZTLL-BZUAXINKSA-N 2 2 366.462 0.089 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)C[C@H]2O)CCC1 ZINC001193774098 1207887681 /nfs/dbraw/zinc/88/76/81/1207887681.db2.gz HJPNTIWNQVIMIC-IXDOHACOSA-N 2 2 365.449 0.505 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774821 1207888177 /nfs/dbraw/zinc/88/81/77/1207888177.db2.gz VCHRICSYWCMXER-NUEKZKHPSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774821 1207888179 /nfs/dbraw/zinc/88/81/79/1207888179.db2.gz VCHRICSYWCMXER-NUEKZKHPSA-N 2 2 366.506 0.079 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1O ZINC001193757280 1207890324 /nfs/dbraw/zinc/89/03/24/1207890324.db2.gz YGILCPWJZQHJAC-BRWVUGGUSA-N 2 2 365.522 0.801 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1O ZINC001193757280 1207890325 /nfs/dbraw/zinc/89/03/25/1207890325.db2.gz YGILCPWJZQHJAC-BRWVUGGUSA-N 2 2 365.522 0.801 20 0 FCADLP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756905 1207890519 /nfs/dbraw/zinc/89/05/19/1207890519.db2.gz VIDPCEIMROTCBD-YQHFMZHWSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756905 1207890520 /nfs/dbraw/zinc/89/05/20/1207890520.db2.gz VIDPCEIMROTCBD-YQHFMZHWSA-N 2 2 363.506 0.721 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O)[NH+](C)C ZINC001194095632 1207917450 /nfs/dbraw/zinc/91/74/50/1207917450.db2.gz JMKZVOLCKGKJDS-RBSFLKMASA-N 2 2 363.462 0.061 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001194251286 1207927684 /nfs/dbraw/zinc/92/76/84/1207927684.db2.gz MXMYGQDGFSPCLQ-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001194251286 1207927688 /nfs/dbraw/zinc/92/76/88/1207927688.db2.gz MXMYGQDGFSPCLQ-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001194251288 1207927749 /nfs/dbraw/zinc/92/77/49/1207927749.db2.gz MXMYGQDGFSPCLQ-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001194251288 1207927752 /nfs/dbraw/zinc/92/77/52/1207927752.db2.gz MXMYGQDGFSPCLQ-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001194250787 1207927841 /nfs/dbraw/zinc/92/78/41/1207927841.db2.gz FWJGTRYQNPZWAF-ZTFGCOKTSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)C2 ZINC001194250787 1207927847 /nfs/dbraw/zinc/92/78/47/1207927847.db2.gz FWJGTRYQNPZWAF-ZTFGCOKTSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001194250787 1207927852 /nfs/dbraw/zinc/92/78/52/1207927852.db2.gz FWJGTRYQNPZWAF-ZTFGCOKTSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1O)CC2 ZINC001194250787 1207927857 /nfs/dbraw/zinc/92/78/57/1207927857.db2.gz FWJGTRYQNPZWAF-ZTFGCOKTSA-N 2 2 364.490 0.799 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194264634 1207928507 /nfs/dbraw/zinc/92/85/07/1207928507.db2.gz CYTZEXJHGYKLHP-FVQBIDKESA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194264634 1207928510 /nfs/dbraw/zinc/92/85/10/1207928510.db2.gz CYTZEXJHGYKLHP-FVQBIDKESA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194264634 1207928511 /nfs/dbraw/zinc/92/85/11/1207928511.db2.gz CYTZEXJHGYKLHP-FVQBIDKESA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194264634 1207928512 /nfs/dbraw/zinc/92/85/12/1207928512.db2.gz CYTZEXJHGYKLHP-FVQBIDKESA-N 2 2 370.538 0.571 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001194529912 1207960024 /nfs/dbraw/zinc/96/00/24/1207960024.db2.gz FDGAXPANDYRBMD-UHFFFAOYSA-N 2 2 364.465 0.982 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194987708 1207986275 /nfs/dbraw/zinc/98/62/75/1207986275.db2.gz BJEPIWSQAZNAPT-IAGOWNOFSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194987708 1207986278 /nfs/dbraw/zinc/98/62/78/1207986278.db2.gz BJEPIWSQAZNAPT-IAGOWNOFSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194987708 1207986281 /nfs/dbraw/zinc/98/62/81/1207986281.db2.gz BJEPIWSQAZNAPT-IAGOWNOFSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194987708 1207986284 /nfs/dbraw/zinc/98/62/84/1207986284.db2.gz BJEPIWSQAZNAPT-IAGOWNOFSA-N 2 2 368.522 0.327 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1)C1CC1 ZINC001194996847 1207988096 /nfs/dbraw/zinc/98/80/96/1207988096.db2.gz JUUOSKMERFNCAA-HZPDHXFCSA-N 2 2 366.506 0.033 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1)C1CC1 ZINC001194996847 1207988100 /nfs/dbraw/zinc/98/81/00/1207988100.db2.gz JUUOSKMERFNCAA-HZPDHXFCSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006301 1207988682 /nfs/dbraw/zinc/98/86/82/1207988682.db2.gz FOLBGYXMSWCVGG-IAGOWNOFSA-N 2 2 361.490 0.711 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006301 1207988684 /nfs/dbraw/zinc/98/86/84/1207988684.db2.gz FOLBGYXMSWCVGG-IAGOWNOFSA-N 2 2 361.490 0.711 20 0 FCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708454 1208036555 /nfs/dbraw/zinc/03/65/55/1208036555.db2.gz OGEOLXAQFRLGFN-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708454 1208036559 /nfs/dbraw/zinc/03/65/59/1208036559.db2.gz OGEOLXAQFRLGFN-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@H]1O ZINC001195859631 1208041841 /nfs/dbraw/zinc/04/18/41/1208041841.db2.gz MHWYJQXPKGDIHP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@H]1O ZINC001195859631 1208041846 /nfs/dbraw/zinc/04/18/46/1208041846.db2.gz MHWYJQXPKGDIHP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185563 1208059963 /nfs/dbraw/zinc/05/99/63/1208059963.db2.gz ZRYPFOACJSEKFE-IAOVAPTHSA-N 2 2 366.462 0.206 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185563 1208059967 /nfs/dbraw/zinc/05/99/67/1208059967.db2.gz ZRYPFOACJSEKFE-IAOVAPTHSA-N 2 2 366.462 0.206 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196199929 1208065485 /nfs/dbraw/zinc/06/54/85/1208065485.db2.gz PIOHFQNSGDTKRP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196199929 1208065487 /nfs/dbraw/zinc/06/54/87/1208065487.db2.gz PIOHFQNSGDTKRP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196199929 1208065490 /nfs/dbraw/zinc/06/54/90/1208065490.db2.gz PIOHFQNSGDTKRP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196199929 1208065496 /nfs/dbraw/zinc/06/54/96/1208065496.db2.gz PIOHFQNSGDTKRP-BZUAXINKSA-N 2 2 368.522 0.137 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196298905 1208072797 /nfs/dbraw/zinc/07/27/97/1208072797.db2.gz FIQBRKBEGBEDPQ-KBRIMQKVSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196298905 1208072801 /nfs/dbraw/zinc/07/28/01/1208072801.db2.gz FIQBRKBEGBEDPQ-KBRIMQKVSA-N 2 2 366.462 0.145 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940921 1208123470 /nfs/dbraw/zinc/12/34/70/1208123470.db2.gz WBJNFZNEEITFTL-QZTJIDSGSA-N 2 2 371.522 0.323 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940921 1208123473 /nfs/dbraw/zinc/12/34/73/1208123473.db2.gz WBJNFZNEEITFTL-QZTJIDSGSA-N 2 2 371.522 0.323 20 0 FCADLP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953307 1208124640 /nfs/dbraw/zinc/12/46/40/1208124640.db2.gz CBAYCURWLCJHSX-BMGDILEWSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953307 1208124643 /nfs/dbraw/zinc/12/46/43/1208124643.db2.gz CBAYCURWLCJHSX-BMGDILEWSA-N 2 2 365.449 0.770 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1O ZINC001196954066 1208124800 /nfs/dbraw/zinc/12/48/00/1208124800.db2.gz PGSCWZFVFBSULH-QZTJIDSGSA-N 2 2 365.449 0.252 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1O ZINC001196954066 1208124804 /nfs/dbraw/zinc/12/48/04/1208124804.db2.gz PGSCWZFVFBSULH-QZTJIDSGSA-N 2 2 365.449 0.252 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197049330 1208130529 /nfs/dbraw/zinc/13/05/29/1208130529.db2.gz MJQWVGDJVDCCSX-BRWVUGGUSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001197049330 1208130535 /nfs/dbraw/zinc/13/05/35/1208130535.db2.gz MJQWVGDJVDCCSX-BRWVUGGUSA-N 2 2 370.538 0.523 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294501 1208154289 /nfs/dbraw/zinc/15/42/89/1208154289.db2.gz AAMLFWJCXXBDAA-OIISXLGYSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294501 1208154293 /nfs/dbraw/zinc/15/42/93/1208154293.db2.gz AAMLFWJCXXBDAA-OIISXLGYSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294501 1208154300 /nfs/dbraw/zinc/15/43/00/1208154300.db2.gz AAMLFWJCXXBDAA-OIISXLGYSA-N 2 2 369.473 0.768 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197294501 1208154305 /nfs/dbraw/zinc/15/43/05/1208154305.db2.gz AAMLFWJCXXBDAA-OIISXLGYSA-N 2 2 369.473 0.768 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197411905 1208162676 /nfs/dbraw/zinc/16/26/76/1208162676.db2.gz IRSNNNDLPNIKFG-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197411905 1208162677 /nfs/dbraw/zinc/16/26/77/1208162677.db2.gz IRSNNNDLPNIKFG-IAGOWNOFSA-N 2 2 368.522 0.135 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493205 1208168204 /nfs/dbraw/zinc/16/82/04/1208168204.db2.gz GGYAPAJPFFOFGG-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493205 1208168205 /nfs/dbraw/zinc/16/82/05/1208168205.db2.gz GGYAPAJPFFOFGG-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493205 1208168206 /nfs/dbraw/zinc/16/82/06/1208168206.db2.gz GGYAPAJPFFOFGG-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493205 1208168207 /nfs/dbraw/zinc/16/82/07/1208168207.db2.gz GGYAPAJPFFOFGG-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001197609678 1208176767 /nfs/dbraw/zinc/17/67/67/1208176767.db2.gz DLBPRHTXXYMZKZ-SJORKVTESA-N 2 2 361.442 0.182 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001197609678 1208176770 /nfs/dbraw/zinc/17/67/70/1208176770.db2.gz DLBPRHTXXYMZKZ-SJORKVTESA-N 2 2 361.442 0.182 20 0 FCADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197609678 1208176773 /nfs/dbraw/zinc/17/67/73/1208176773.db2.gz DLBPRHTXXYMZKZ-SJORKVTESA-N 2 2 361.442 0.182 20 0 FCADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197609678 1208176774 /nfs/dbraw/zinc/17/67/74/1208176774.db2.gz DLBPRHTXXYMZKZ-SJORKVTESA-N 2 2 361.442 0.182 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC[C@H]2CNC(=O)CO2)cc1 ZINC001198036339 1208215966 /nfs/dbraw/zinc/21/59/66/1208215966.db2.gz KOVOQSIFTUGKRC-QGZVFWFLSA-N 2 2 362.474 0.315 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC[C@H]2CNC(=O)CO2)cc1 ZINC001198036339 1208215968 /nfs/dbraw/zinc/21/59/68/1208215968.db2.gz KOVOQSIFTUGKRC-QGZVFWFLSA-N 2 2 362.474 0.315 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038231 1208216295 /nfs/dbraw/zinc/21/62/95/1208216295.db2.gz LRGJOGULLPOOCH-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038231 1208216298 /nfs/dbraw/zinc/21/62/98/1208216298.db2.gz LRGJOGULLPOOCH-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038231 1208216300 /nfs/dbraw/zinc/21/63/00/1208216300.db2.gz LRGJOGULLPOOCH-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001198038231 1208216304 /nfs/dbraw/zinc/21/63/04/1208216304.db2.gz LRGJOGULLPOOCH-BZUAXINKSA-N 2 2 368.522 0.279 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037941 1208216531 /nfs/dbraw/zinc/21/65/31/1208216531.db2.gz CGXZDHFIXWOVRD-DJIMGWMZSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037941 1208216533 /nfs/dbraw/zinc/21/65/33/1208216533.db2.gz CGXZDHFIXWOVRD-DJIMGWMZSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037941 1208216537 /nfs/dbraw/zinc/21/65/37/1208216537.db2.gz CGXZDHFIXWOVRD-DJIMGWMZSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1O ZINC001198037941 1208216542 /nfs/dbraw/zinc/21/65/42/1208216542.db2.gz CGXZDHFIXWOVRD-DJIMGWMZSA-N 2 2 370.538 0.573 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001198690462 1208278283 /nfs/dbraw/zinc/27/82/83/1208278283.db2.gz XYMNZXSQSRHGDV-BMGDILEWSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001198690462 1208278286 /nfs/dbraw/zinc/27/82/86/1208278286.db2.gz XYMNZXSQSRHGDV-BMGDILEWSA-N 2 2 365.449 0.455 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729592 1208284105 /nfs/dbraw/zinc/28/41/05/1208284105.db2.gz UGVUUZPBKBOMQV-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729592 1208284109 /nfs/dbraw/zinc/28/41/09/1208284109.db2.gz UGVUUZPBKBOMQV-HZPDHXFCSA-N 2 2 368.522 0.329 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729373 1208284321 /nfs/dbraw/zinc/28/43/21/1208284321.db2.gz MADZCQJRZHTEAM-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729373 1208284325 /nfs/dbraw/zinc/28/43/25/1208284325.db2.gz MADZCQJRZHTEAM-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095228 1208317547 /nfs/dbraw/zinc/31/75/47/1208317547.db2.gz FJVIWRFMXRTYJV-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095228 1208317552 /nfs/dbraw/zinc/31/75/52/1208317552.db2.gz FJVIWRFMXRTYJV-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199095228 1208317557 /nfs/dbraw/zinc/31/75/57/1208317557.db2.gz FJVIWRFMXRTYJV-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199095228 1208317560 /nfs/dbraw/zinc/31/75/60/1208317560.db2.gz FJVIWRFMXRTYJV-BRWVUGGUSA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1 ZINC001199119692 1208319152 /nfs/dbraw/zinc/31/91/52/1208319152.db2.gz QEKSGXXADKMPBS-QRVBRYPASA-N 2 2 361.486 0.877 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccccc1 ZINC001199119692 1208319156 /nfs/dbraw/zinc/31/91/56/1208319156.db2.gz QEKSGXXADKMPBS-QRVBRYPASA-N 2 2 361.486 0.877 20 0 FCADLP COC(=O)c1ccnc(CNC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001199359580 1208342594 /nfs/dbraw/zinc/34/25/94/1208342594.db2.gz GAWAUOTXVAGKMU-UHFFFAOYSA-N 2 2 369.425 0.945 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O)Cc1ccccc1 ZINC001199384019 1208344542 /nfs/dbraw/zinc/34/45/42/1208344542.db2.gz CMVLYMPDRVXCHO-RTBURBONSA-N 2 2 361.486 0.706 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1O)Cc1ccccc1 ZINC001199384019 1208344545 /nfs/dbraw/zinc/34/45/45/1208344545.db2.gz CMVLYMPDRVXCHO-RTBURBONSA-N 2 2 361.486 0.706 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)Cc1ccccc1 ZINC001199384019 1208344549 /nfs/dbraw/zinc/34/45/49/1208344549.db2.gz CMVLYMPDRVXCHO-RTBURBONSA-N 2 2 361.486 0.706 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)Cc1ccccc1 ZINC001199384019 1208344550 /nfs/dbraw/zinc/34/45/50/1208344550.db2.gz CMVLYMPDRVXCHO-RTBURBONSA-N 2 2 361.486 0.706 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199385855 1208345098 /nfs/dbraw/zinc/34/50/98/1208345098.db2.gz ZTATXZAKAQLCNR-IAGOWNOFSA-N 2 2 358.442 0.776 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199385855 1208345102 /nfs/dbraw/zinc/34/51/02/1208345102.db2.gz ZTATXZAKAQLCNR-IAGOWNOFSA-N 2 2 358.442 0.776 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199385855 1208345105 /nfs/dbraw/zinc/34/51/05/1208345105.db2.gz ZTATXZAKAQLCNR-IAGOWNOFSA-N 2 2 358.442 0.776 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199385855 1208345107 /nfs/dbraw/zinc/34/51/07/1208345107.db2.gz ZTATXZAKAQLCNR-IAGOWNOFSA-N 2 2 358.442 0.776 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]1C ZINC001691702637 1208419996 /nfs/dbraw/zinc/41/99/96/1208419996.db2.gz ZZIGGTLJIQZIQR-CFVMTHIKSA-N 2 2 356.492 0.451 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@@H]1C ZINC001691702637 1208419998 /nfs/dbraw/zinc/41/99/98/1208419998.db2.gz ZZIGGTLJIQZIQR-CFVMTHIKSA-N 2 2 356.492 0.451 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001110562294 1208451885 /nfs/dbraw/zinc/45/18/85/1208451885.db2.gz LRLMXSORVGGBLC-VQHPVUNQSA-N 2 2 358.442 0.985 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001110569510 1208463457 /nfs/dbraw/zinc/46/34/57/1208463457.db2.gz QEITVEQEJREJJY-HCXYKTFWSA-N 2 2 374.529 0.966 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001110569510 1208463463 /nfs/dbraw/zinc/46/34/63/1208463463.db2.gz QEITVEQEJREJJY-HCXYKTFWSA-N 2 2 374.529 0.966 20 0 FCADLP CN1CCOC[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001273925586 1208477952 /nfs/dbraw/zinc/47/79/52/1208477952.db2.gz SMBNAAGFOOZWRF-UHOSZYNNSA-N 2 2 361.490 0.765 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001489042272 1208602059 /nfs/dbraw/zinc/60/20/59/1208602059.db2.gz QMDSDUZEAYDTTH-KGLIPLIRSA-N 2 2 365.478 0.703 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220806496 1225082798 /nfs/dbraw/zinc/08/27/98/1225082798.db2.gz FHWIRIOLOUUWIM-SJORKVTESA-N 2 2 370.538 0.525 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001220806496 1225082803 /nfs/dbraw/zinc/08/28/03/1225082803.db2.gz FHWIRIOLOUUWIM-SJORKVTESA-N 2 2 370.538 0.525 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817422 1225086861 /nfs/dbraw/zinc/08/68/61/1225086861.db2.gz VZNPJPLSRKFYBL-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817422 1225086872 /nfs/dbraw/zinc/08/68/72/1225086872.db2.gz VZNPJPLSRKFYBL-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817422 1225086880 /nfs/dbraw/zinc/08/68/80/1225086880.db2.gz VZNPJPLSRKFYBL-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001220817422 1225086886 /nfs/dbraw/zinc/08/68/86/1225086886.db2.gz VZNPJPLSRKFYBL-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825732 1225090235 /nfs/dbraw/zinc/09/02/35/1225090235.db2.gz DKXFCLFKNFJWLK-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825732 1225090244 /nfs/dbraw/zinc/09/02/44/1225090244.db2.gz DKXFCLFKNFJWLK-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825732 1225090252 /nfs/dbraw/zinc/09/02/52/1225090252.db2.gz DKXFCLFKNFJWLK-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220825732 1225090259 /nfs/dbraw/zinc/09/02/59/1225090259.db2.gz DKXFCLFKNFJWLK-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001220825758 1225090592 /nfs/dbraw/zinc/09/05/92/1225090592.db2.gz FRRSXXMHEWGTLE-CVEARBPZSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001220825758 1225090598 /nfs/dbraw/zinc/09/05/98/1225090598.db2.gz FRRSXXMHEWGTLE-CVEARBPZSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001220825758 1225090606 /nfs/dbraw/zinc/09/06/06/1225090606.db2.gz FRRSXXMHEWGTLE-CVEARBPZSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@@H]1O ZINC001220825758 1225090614 /nfs/dbraw/zinc/09/06/14/1225090614.db2.gz FRRSXXMHEWGTLE-CVEARBPZSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220831402 1225095182 /nfs/dbraw/zinc/09/51/82/1225095182.db2.gz YQVVPMVBCGMWHC-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220831402 1225095191 /nfs/dbraw/zinc/09/51/91/1225095191.db2.gz YQVVPMVBCGMWHC-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220831402 1225095200 /nfs/dbraw/zinc/09/52/00/1225095200.db2.gz YQVVPMVBCGMWHC-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220831402 1225095208 /nfs/dbraw/zinc/09/52/08/1225095208.db2.gz YQVVPMVBCGMWHC-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001489548774 1208912689 /nfs/dbraw/zinc/91/26/89/1208912689.db2.gz HHVGTNYCLJKLML-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001489548774 1208912696 /nfs/dbraw/zinc/91/26/96/1208912696.db2.gz HHVGTNYCLJKLML-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)[NH+](CC)CC ZINC001489606464 1208959671 /nfs/dbraw/zinc/95/96/71/1208959671.db2.gz FHQDIMXGDIZDLG-PMPSAXMXSA-N 2 2 365.478 0.082 20 0 FCADLP COC(=O)[C@@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)c1c[nH]c2ccc(OC)cc21 ZINC001220842884 1225102309 /nfs/dbraw/zinc/10/23/09/1225102309.db2.gz CIQPLJNPIAHMBH-FSBGKCOPSA-N 2 2 360.414 0.239 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC001489770334 1209095845 /nfs/dbraw/zinc/09/58/45/1209095845.db2.gz GZDGCVXMDLBGTN-DJIMGWMZSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC001489770334 1209095847 /nfs/dbraw/zinc/09/58/47/1209095847.db2.gz GZDGCVXMDLBGTN-DJIMGWMZSA-N 2 2 361.490 0.752 20 0 FCADLP CCOC(=O)[C@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001220875918 1225119721 /nfs/dbraw/zinc/11/97/21/1225119721.db2.gz BGDKUAIMJDGKRA-IAGOWNOFSA-N 2 2 362.474 0.200 20 0 FCADLP O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220924074 1225142973 /nfs/dbraw/zinc/14/29/73/1225142973.db2.gz NIUITBMLEQOJMJ-UZLBHIALSA-N 2 2 374.460 0.746 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438459 1209549738 /nfs/dbraw/zinc/54/97/38/1209549738.db2.gz QWSHTSKCZPLNES-IAGOWNOFSA-N 2 2 360.458 0.932 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438459 1209549743 /nfs/dbraw/zinc/54/97/43/1209549743.db2.gz QWSHTSKCZPLNES-IAGOWNOFSA-N 2 2 360.458 0.932 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438458 1209550271 /nfs/dbraw/zinc/55/02/71/1209550271.db2.gz QWSHTSKCZPLNES-DLBZAZTESA-N 2 2 360.458 0.932 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852438458 1209550276 /nfs/dbraw/zinc/55/02/76/1209550276.db2.gz QWSHTSKCZPLNES-DLBZAZTESA-N 2 2 360.458 0.932 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001110660383 1209582701 /nfs/dbraw/zinc/58/27/01/1209582701.db2.gz CGDFDGACEYKKJG-TUVASFSCSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001110660383 1209582706 /nfs/dbraw/zinc/58/27/06/1209582706.db2.gz CGDFDGACEYKKJG-TUVASFSCSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110660383 1209582711 /nfs/dbraw/zinc/58/27/11/1209582711.db2.gz CGDFDGACEYKKJG-TUVASFSCSA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110660383 1209582715 /nfs/dbraw/zinc/58/27/15/1209582715.db2.gz CGDFDGACEYKKJG-TUVASFSCSA-N 2 2 365.478 0.166 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664408 1209590255 /nfs/dbraw/zinc/59/02/55/1209590255.db2.gz PRUUUZCCJKXZFB-MCIONIFRSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664408 1209590258 /nfs/dbraw/zinc/59/02/58/1209590258.db2.gz PRUUUZCCJKXZFB-MCIONIFRSA-N 2 2 365.478 0.038 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001110740886 1209777432 /nfs/dbraw/zinc/77/74/32/1209777432.db2.gz HZZIFMNUOSBUQI-VQHPVUNQSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001110740886 1209777435 /nfs/dbraw/zinc/77/74/35/1209777435.db2.gz HZZIFMNUOSBUQI-VQHPVUNQSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742447 1209783802 /nfs/dbraw/zinc/78/38/02/1209783802.db2.gz HUVOLRAVSGUAMJ-VQHPVUNQSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742447 1209783804 /nfs/dbraw/zinc/78/38/04/1209783804.db2.gz HUVOLRAVSGUAMJ-VQHPVUNQSA-N 2 2 362.474 0.830 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220984912 1225174443 /nfs/dbraw/zinc/17/44/43/1225174443.db2.gz KLUFPUCBFBVCCJ-HNNXBMFYSA-N 2 2 351.414 0.238 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985855 1225174763 /nfs/dbraw/zinc/17/47/63/1225174763.db2.gz HWPOMYCCLUJTGA-JQHSSLGASA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985855 1225174767 /nfs/dbraw/zinc/17/47/67/1225174767.db2.gz HWPOMYCCLUJTGA-JQHSSLGASA-N 2 2 362.474 0.020 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2cccc(N3CCOCC3=O)c2)cc1 ZINC001220990371 1225176430 /nfs/dbraw/zinc/17/64/30/1225176430.db2.gz JXHKVKQIKBHEAX-SFHVURJKSA-N 2 2 368.437 0.938 20 0 FCADLP O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000866722907 1210005808 /nfs/dbraw/zinc/00/58/08/1210005808.db2.gz APEYTBDTSSRXHK-WOJBJXKFSA-N 2 2 372.513 0.961 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994581 1225179609 /nfs/dbraw/zinc/17/96/09/1225179609.db2.gz XQOWMNAHWOJJHF-NXHRZFHOSA-N 2 2 361.490 0.965 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994581 1225179614 /nfs/dbraw/zinc/17/96/14/1225179614.db2.gz XQOWMNAHWOJJHF-NXHRZFHOSA-N 2 2 361.490 0.965 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215006 1210044588 /nfs/dbraw/zinc/04/45/88/1210044588.db2.gz AFENMDJMTUBRTB-ROUUACIJSA-N 2 2 365.522 0.271 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000868215006 1210044591 /nfs/dbraw/zinc/04/45/91/1210044591.db2.gz AFENMDJMTUBRTB-ROUUACIJSA-N 2 2 365.522 0.271 20 0 FCADLP CONC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872902225 1210219536 /nfs/dbraw/zinc/21/95/36/1210219536.db2.gz AWXZLRWECIJJET-HNNXBMFYSA-N 2 2 367.494 0.254 20 0 FCADLP CONC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872902225 1210219548 /nfs/dbraw/zinc/21/95/48/1210219548.db2.gz AWXZLRWECIJJET-HNNXBMFYSA-N 2 2 367.494 0.254 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000875214518 1210352415 /nfs/dbraw/zinc/35/24/15/1210352415.db2.gz PSUHLAVMXMPRAN-BBWFWOEESA-N 2 2 360.502 0.696 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000875214518 1210352419 /nfs/dbraw/zinc/35/24/19/1210352419.db2.gz PSUHLAVMXMPRAN-BBWFWOEESA-N 2 2 360.502 0.696 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@H](C)[NH+]1CCOCC1 ZINC000875243534 1210356061 /nfs/dbraw/zinc/35/60/61/1210356061.db2.gz WBZWWEGWDTYRKY-IRXDYDNUSA-N 2 2 368.522 0.849 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000875347606 1210367737 /nfs/dbraw/zinc/36/77/37/1210367737.db2.gz RVUREUDXIZTKIX-MDZRGWNJSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000875347606 1210367741 /nfs/dbraw/zinc/36/77/41/1210367741.db2.gz RVUREUDXIZTKIX-MDZRGWNJSA-N 2 2 368.522 0.774 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000825886805 1210417281 /nfs/dbraw/zinc/41/72/81/1210417281.db2.gz ZZIGFMCXSYUFCA-MRXNPFEDSA-N 2 2 356.430 0.536 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000825886805 1210417283 /nfs/dbraw/zinc/41/72/83/1210417283.db2.gz ZZIGFMCXSYUFCA-MRXNPFEDSA-N 2 2 356.430 0.536 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876715752 1210424134 /nfs/dbraw/zinc/42/41/34/1210424134.db2.gz SIKUJJFDPUUXMH-KDOFPFPSSA-N 2 2 355.446 0.544 20 0 FCADLP CN1C(=O)[C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]2C1=O ZINC000877719115 1210448565 /nfs/dbraw/zinc/44/85/65/1210448565.db2.gz ISJLMBYNJCZRHN-HDICACEKSA-N 2 2 373.453 0.444 20 0 FCADLP CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]2C1=O ZINC000877719115 1210448568 /nfs/dbraw/zinc/44/85/68/1210448568.db2.gz ISJLMBYNJCZRHN-HDICACEKSA-N 2 2 373.453 0.444 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000880251157 1210522530 /nfs/dbraw/zinc/52/25/30/1210522530.db2.gz IJXXYOPRGOOOGR-SJORKVTESA-N 2 2 369.506 0.349 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000880568971 1210550914 /nfs/dbraw/zinc/55/09/14/1210550914.db2.gz IKDZLIQSEHXZES-KRWDZBQOSA-N 2 2 374.470 0.926 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091774 1225217990 /nfs/dbraw/zinc/21/79/90/1225217990.db2.gz WUBPNIJWTLXDMG-ZACQAIPSSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091774 1225217993 /nfs/dbraw/zinc/21/79/93/1225217993.db2.gz WUBPNIJWTLXDMG-ZACQAIPSSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091774 1225217995 /nfs/dbraw/zinc/21/79/95/1225217995.db2.gz WUBPNIJWTLXDMG-ZACQAIPSSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091774 1225218000 /nfs/dbraw/zinc/21/80/00/1225218000.db2.gz WUBPNIJWTLXDMG-ZACQAIPSSA-N 2 2 370.538 0.381 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096132 1225221498 /nfs/dbraw/zinc/22/14/98/1225221498.db2.gz NCGFTFHFCOODAJ-SQNIBIBYSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096132 1225221505 /nfs/dbraw/zinc/22/15/05/1225221505.db2.gz NCGFTFHFCOODAJ-SQNIBIBYSA-N 2 2 363.506 0.510 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417291 1210666329 /nfs/dbraw/zinc/66/63/29/1210666329.db2.gz VTCZQBICGTWJRL-IAGOWNOFSA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](CO)Cc3ccoc3)C2)CC1 ZINC000883417291 1210666336 /nfs/dbraw/zinc/66/63/36/1210666336.db2.gz VTCZQBICGTWJRL-IAGOWNOFSA-N 2 2 364.490 0.898 20 0 FCADLP OC1CC[NH+](Cc2cn(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000883992232 1210707194 /nfs/dbraw/zinc/70/71/94/1210707194.db2.gz HKSLBWZTRTVEHX-FQEVSTJZSA-N 2 2 371.485 0.872 20 0 FCADLP OC1CC[NH+](Cc2cn(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000883992232 1210707196 /nfs/dbraw/zinc/70/71/96/1210707196.db2.gz HKSLBWZTRTVEHX-FQEVSTJZSA-N 2 2 371.485 0.872 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884317406 1210730104 /nfs/dbraw/zinc/73/01/04/1210730104.db2.gz UGSBSGNZJZKETP-INIZCTEOSA-N 2 2 352.442 0.895 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])CC2)CC1 ZINC000884542971 1210747008 /nfs/dbraw/zinc/74/70/08/1210747008.db2.gz QUAZIKLSBCACKP-QGZVFWFLSA-N 3 2 365.522 0.001 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884627688 1210767108 /nfs/dbraw/zinc/76/71/08/1210767108.db2.gz YSWFSNIASXKFCA-QGZVFWFLSA-N 2 2 367.453 0.831 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634132 1210768650 /nfs/dbraw/zinc/76/86/50/1210768650.db2.gz ONNSPXMCCDHGDD-UKRRQHHQSA-N 2 2 366.412 0.650 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884634132 1210768656 /nfs/dbraw/zinc/76/86/56/1210768656.db2.gz ONNSPXMCCDHGDD-UKRRQHHQSA-N 2 2 366.412 0.650 20 0 FCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000884651904 1210773245 /nfs/dbraw/zinc/77/32/45/1210773245.db2.gz CSPCKKBWVDGJCC-QGZVFWFLSA-N 2 2 371.441 0.571 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000884689039 1210781157 /nfs/dbraw/zinc/78/11/57/1210781157.db2.gz XITAXQZOSFCCQI-ROUUACIJSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000884689039 1210781161 /nfs/dbraw/zinc/78/11/61/1210781161.db2.gz XITAXQZOSFCCQI-ROUUACIJSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000884703778 1210783873 /nfs/dbraw/zinc/78/38/73/1210783873.db2.gz KIERZVMYBUKFBF-RDJZCZTQSA-N 2 2 362.474 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000884703778 1210783876 /nfs/dbraw/zinc/78/38/76/1210783876.db2.gz KIERZVMYBUKFBF-RDJZCZTQSA-N 2 2 362.474 0.166 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884723307 1210789370 /nfs/dbraw/zinc/78/93/70/1210789370.db2.gz GFUGFRCKOGWZSA-SJORKVTESA-N 2 2 371.441 0.235 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000884726629 1210790509 /nfs/dbraw/zinc/79/05/09/1210790509.db2.gz YASVFAFXTNPJNB-IIVZCXTMSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000884726629 1210790513 /nfs/dbraw/zinc/79/05/13/1210790513.db2.gz YASVFAFXTNPJNB-IIVZCXTMSA-N 2 2 356.470 0.794 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154177 1225241955 /nfs/dbraw/zinc/24/19/55/1225241955.db2.gz FOYADZZOJAIAJD-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154177 1225241962 /nfs/dbraw/zinc/24/19/62/1225241962.db2.gz FOYADZZOJAIAJD-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000885010456 1210807700 /nfs/dbraw/zinc/80/77/00/1210807700.db2.gz OZZCBFDLNQVIBJ-JYYAWHABSA-N 2 2 358.442 0.708 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)c1 ZINC000885018799 1210808779 /nfs/dbraw/zinc/80/87/79/1210808779.db2.gz SVCUFGNEJNAELJ-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)c1 ZINC000885018799 1210808780 /nfs/dbraw/zinc/80/87/80/1210808780.db2.gz SVCUFGNEJNAELJ-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000885020027 1210809565 /nfs/dbraw/zinc/80/95/65/1210809565.db2.gz DCDBZSAVYQOOBT-ZWKOTPCHSA-N 2 2 374.485 0.119 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000885020027 1210809566 /nfs/dbraw/zinc/80/95/66/1210809566.db2.gz DCDBZSAVYQOOBT-ZWKOTPCHSA-N 2 2 374.485 0.119 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000885022869 1210810181 /nfs/dbraw/zinc/81/01/81/1210810181.db2.gz TVDKZOBKIXVKLC-OWLYRPNTSA-N 2 2 356.470 0.875 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000885022869 1210810182 /nfs/dbraw/zinc/81/01/82/1210810182.db2.gz TVDKZOBKIXVKLC-OWLYRPNTSA-N 2 2 356.470 0.875 20 0 FCADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000885228147 1210816270 /nfs/dbraw/zinc/81/62/70/1210816270.db2.gz OHEBWEXFSVAXLE-RCDNUKIMSA-N 2 2 353.426 0.690 20 0 FCADLP OCCOCC1(O)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000886751421 1210836300 /nfs/dbraw/zinc/83/63/00/1210836300.db2.gz QCWMERZTBSHIAR-UHFFFAOYSA-N 2 2 364.486 0.855 20 0 FCADLP CCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000886994418 1210841873 /nfs/dbraw/zinc/84/18/73/1210841873.db2.gz WFEDQUMHRPIELK-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000887079755 1210846089 /nfs/dbraw/zinc/84/60/89/1210846089.db2.gz YRKFLMNHOXBBJB-IBGZPJMESA-N 2 2 366.506 0.159 20 0 FCADLP C[N@H+](CCO)CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000887221336 1210852875 /nfs/dbraw/zinc/85/28/75/1210852875.db2.gz XKDZJWHRVXCASX-UHFFFAOYSA-N 2 2 363.462 0.120 20 0 FCADLP C[N@@H+](CCO)CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000887221336 1210852876 /nfs/dbraw/zinc/85/28/76/1210852876.db2.gz XKDZJWHRVXCASX-UHFFFAOYSA-N 2 2 363.462 0.120 20 0 FCADLP CO[C@H]1CCN2C(=O)N(C3CC[NH+](C4CC[NH+](C)CC4)CC3)C(=O)[C@@H]2C1 ZINC000349355164 1210869324 /nfs/dbraw/zinc/86/93/24/1210869324.db2.gz ZRUDXVPDCDGJTG-IRXDYDNUSA-N 2 2 364.490 0.987 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221159129 1225245249 /nfs/dbraw/zinc/24/52/49/1225245249.db2.gz HBSRWDVOHMFTHR-MSOLQXFVSA-N 2 2 357.458 0.176 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221159129 1225245252 /nfs/dbraw/zinc/24/52/52/1225245252.db2.gz HBSRWDVOHMFTHR-MSOLQXFVSA-N 2 2 357.458 0.176 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221159129 1225245258 /nfs/dbraw/zinc/24/52/58/1225245258.db2.gz HBSRWDVOHMFTHR-MSOLQXFVSA-N 2 2 357.458 0.176 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)Cc1ccccc1 ZINC001221159129 1225245264 /nfs/dbraw/zinc/24/52/64/1225245264.db2.gz HBSRWDVOHMFTHR-MSOLQXFVSA-N 2 2 357.458 0.176 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3[C@@H]1CCC[N@@H+]3CCO)n2C ZINC000889760408 1210948490 /nfs/dbraw/zinc/94/84/90/1210948490.db2.gz FYWFYQHYICFVSQ-GJZGRUSLSA-N 2 2 372.473 0.706 20 0 FCADLP CCC[NH+](CCC)CC(=O)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274471178 1211062155 /nfs/dbraw/zinc/06/21/55/1211062155.db2.gz GDAAIBACQYUQFZ-HDICACEKSA-N 2 2 363.506 0.917 20 0 FCADLP CCC[NH+](CCC)CC(=O)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274471178 1211062157 /nfs/dbraw/zinc/06/21/57/1211062157.db2.gz GDAAIBACQYUQFZ-HDICACEKSA-N 2 2 363.506 0.917 20 0 FCADLP C[C@H](F)C(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001274505389 1211070165 /nfs/dbraw/zinc/07/01/65/1211070165.db2.gz QXFCDPGXGVHXRX-NWANDNLSSA-N 2 2 365.453 0.531 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001274574932 1211083217 /nfs/dbraw/zinc/08/32/17/1211083217.db2.gz JVPJXQGBNCRNSC-GJYPPUQNSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001274574932 1211083220 /nfs/dbraw/zinc/08/32/20/1211083220.db2.gz JVPJXQGBNCRNSC-GJYPPUQNSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1cc[nH+]c(N)c1)CC2 ZINC001274945981 1211149844 /nfs/dbraw/zinc/14/98/44/1211149844.db2.gz BYLNSKLYKSQBMN-UHFFFAOYSA-N 2 2 359.474 0.609 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1cc[nH+]c(N)c1)CC2 ZINC001274945981 1211149846 /nfs/dbraw/zinc/14/98/46/1211149846.db2.gz BYLNSKLYKSQBMN-UHFFFAOYSA-N 2 2 359.474 0.609 20 0 FCADLP CCC(CC)C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275075532 1211173816 /nfs/dbraw/zinc/17/38/16/1211173816.db2.gz ZYXKZPLQWCOXMB-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001275152271 1211182637 /nfs/dbraw/zinc/18/26/37/1211182637.db2.gz IBOZSGWQVATKMZ-SCLBCKFNSA-N 2 2 359.430 0.040 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001275152271 1211182640 /nfs/dbraw/zinc/18/26/40/1211182640.db2.gz IBOZSGWQVATKMZ-SCLBCKFNSA-N 2 2 359.430 0.040 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001221221422 1225272693 /nfs/dbraw/zinc/27/26/93/1225272693.db2.gz LYVORWIEZVOMTD-HBFSDRIKSA-N 2 2 369.465 0.974 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001275331401 1211216295 /nfs/dbraw/zinc/21/62/95/1211216295.db2.gz VXHFCYZOIAKKPG-SFHVURJKSA-N 2 2 358.446 0.603 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cn1 ZINC001275331401 1211216298 /nfs/dbraw/zinc/21/62/98/1211216298.db2.gz VXHFCYZOIAKKPG-SFHVURJKSA-N 2 2 358.446 0.603 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)OCC1=O ZINC001275421771 1211233878 /nfs/dbraw/zinc/23/38/78/1211233878.db2.gz OJSVCLPRRWBBAB-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)OCC1=O ZINC001275421771 1211233880 /nfs/dbraw/zinc/23/38/80/1211233880.db2.gz OJSVCLPRRWBBAB-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP COC(C)(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001275454894 1211240895 /nfs/dbraw/zinc/24/08/95/1211240895.db2.gz BRGSHFWCVYCEIC-LJQANCHMSA-N 2 2 362.474 0.970 20 0 FCADLP COC(C)(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001275454894 1211240898 /nfs/dbraw/zinc/24/08/98/1211240898.db2.gz BRGSHFWCVYCEIC-LJQANCHMSA-N 2 2 362.474 0.970 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]12CCN(CCN1CCOCC1)C2=O ZINC001275455331 1211241056 /nfs/dbraw/zinc/24/10/56/1211241056.db2.gz ICCYWRGYWVZUCT-IBGZPJMESA-N 2 2 359.474 0.393 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]12CCN(CCN1CCOCC1)C2=O ZINC001275455331 1211241058 /nfs/dbraw/zinc/24/10/58/1211241058.db2.gz ICCYWRGYWVZUCT-IBGZPJMESA-N 2 2 359.474 0.393 20 0 FCADLP COC[C@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001275456223 1211242820 /nfs/dbraw/zinc/24/28/20/1211242820.db2.gz WOHJFAUGMRUOMU-BZUAXINKSA-N 2 2 362.430 0.247 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)CN(Cc3ccn4cc[nH+]c4c3)C[C@@]2(F)C1=O ZINC001275457182 1211243258 /nfs/dbraw/zinc/24/32/58/1211243258.db2.gz OFRAWZCBAYEWNI-ZWKOTPCHSA-N 2 2 363.412 0.970 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275466182 1211246106 /nfs/dbraw/zinc/24/61/06/1211246106.db2.gz XQKOWJNOCLJTOY-SFHVURJKSA-N 2 2 359.430 0.991 20 0 FCADLP Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275466182 1211246109 /nfs/dbraw/zinc/24/61/09/1211246109.db2.gz XQKOWJNOCLJTOY-SFHVURJKSA-N 2 2 359.430 0.991 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275731346 1211277835 /nfs/dbraw/zinc/27/78/35/1211277835.db2.gz WSYKMSFSLQMKLC-GOSISDBHSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275731346 1211277837 /nfs/dbraw/zinc/27/78/37/1211277837.db2.gz WSYKMSFSLQMKLC-GOSISDBHSA-N 2 2 358.446 0.429 20 0 FCADLP Cc1noc(CN2CC3(C[NH+](CCC4CC[NH+](C)CC4)C3)OCC2=O)n1 ZINC001275751062 1211281156 /nfs/dbraw/zinc/28/11/56/1211281156.db2.gz WMWIQXVHNXBRAY-UHFFFAOYSA-N 2 2 363.462 0.523 20 0 FCADLP COCCOC[N@@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)C1 ZINC001275801184 1211285903 /nfs/dbraw/zinc/28/59/03/1211285903.db2.gz MLUJTDAZABKGNB-KRWDZBQOSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[N@H+]1CCCC2(CCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)C1 ZINC001275801184 1211285905 /nfs/dbraw/zinc/28/59/05/1211285905.db2.gz MLUJTDAZABKGNB-KRWDZBQOSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC001275801184 1211285906 /nfs/dbraw/zinc/28/59/06/1211285906.db2.gz MLUJTDAZABKGNB-KRWDZBQOSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)C1 ZINC001275801184 1211285909 /nfs/dbraw/zinc/28/59/09/1211285909.db2.gz MLUJTDAZABKGNB-KRWDZBQOSA-N 2 2 369.506 0.378 20 0 FCADLP CC(C)OC(=O)CN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001275834045 1211293694 /nfs/dbraw/zinc/29/36/94/1211293694.db2.gz WJVCAQMRDUXYCK-UHFFFAOYSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC(C[NH+]2CC3(C2)CN(Cc2nc(C)no2)C(=O)CO3)CC1 ZINC001275879359 1211304672 /nfs/dbraw/zinc/30/46/72/1211304672.db2.gz NLROJYOYTMZZIQ-UHFFFAOYSA-N 2 2 363.462 0.523 20 0 FCADLP C[N@@H+]1CCC[C@H](CN2C[C@@]3(F)C(=O)N(CCn4cc[nH+]c4)C[C@@]3(F)C2)C1 ZINC001275879165 1211306108 /nfs/dbraw/zinc/30/61/08/1211306108.db2.gz OJKGBVBSVFJPPQ-RYQLBKOJSA-N 2 2 367.444 0.799 20 0 FCADLP C[N@H+]1CCC[C@H](CN2C[C@@]3(F)C(=O)N(CCn4cc[nH+]c4)C[C@@]3(F)C2)C1 ZINC001275879165 1211306110 /nfs/dbraw/zinc/30/61/10/1211306110.db2.gz OJKGBVBSVFJPPQ-RYQLBKOJSA-N 2 2 367.444 0.799 20 0 FCADLP Cc1c(CN2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH+]c2ccccn12 ZINC001275915512 1211309276 /nfs/dbraw/zinc/30/92/76/1211309276.db2.gz JNBYPVDNXYVISG-UHFFFAOYSA-N 2 2 357.458 0.618 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](Cc3cncnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275996118 1211321662 /nfs/dbraw/zinc/32/16/62/1211321662.db2.gz IPGGBXHYCKUUGA-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](Cc3cncnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275996118 1211321665 /nfs/dbraw/zinc/32/16/65/1211321665.db2.gz IPGGBXHYCKUUGA-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP CN(C(=O)COc1ccc(C(N)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831450 1211332772 /nfs/dbraw/zinc/33/27/72/1211332772.db2.gz VAVQUGDKNZZCQD-KRWDZBQOSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)COc1ccc(C(N)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831450 1211332777 /nfs/dbraw/zinc/33/27/77/1211332777.db2.gz VAVQUGDKNZZCQD-KRWDZBQOSA-N 2 2 374.485 0.791 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221256568 1225281808 /nfs/dbraw/zinc/28/18/08/1225281808.db2.gz CKLNTSZVBZDIAF-IRXDYDNUSA-N 2 2 356.426 0.725 20 0 FCADLP CN1CC[N@H+](CCCN2C(=O)N[C@H](C[NH+](C)C)C2=O)[C@@H](c2ccccc2)C1 ZINC000924472323 1211471257 /nfs/dbraw/zinc/47/12/57/1211471257.db2.gz DIEHLAUMRZBJHO-QZTJIDSGSA-N 2 2 373.501 0.847 20 0 FCADLP CN1CC[N@@H+](CCCN2C(=O)N[C@H](C[NH+](C)C)C2=O)[C@@H](c2ccccc2)C1 ZINC000924472323 1211471260 /nfs/dbraw/zinc/47/12/60/1211471260.db2.gz DIEHLAUMRZBJHO-QZTJIDSGSA-N 2 2 373.501 0.847 20 0 FCADLP C[NH+](C)C[C@H]1NC(=O)N([C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000924614385 1211475080 /nfs/dbraw/zinc/47/50/80/1211475080.db2.gz ZIJKTHCIZFTIMA-DLBZAZTESA-N 2 2 360.458 0.412 20 0 FCADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnnn1C ZINC000925396399 1211498764 /nfs/dbraw/zinc/49/87/64/1211498764.db2.gz LWFNNVWDTLDWKG-GJZGRUSLSA-N 2 2 372.477 0.761 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000925588076 1211502901 /nfs/dbraw/zinc/50/29/01/1211502901.db2.gz SNZOIIHLBLBOQL-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000925588076 1211502905 /nfs/dbraw/zinc/50/29/05/1211502905.db2.gz SNZOIIHLBLBOQL-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001221312218 1225293983 /nfs/dbraw/zinc/29/39/83/1225293983.db2.gz YPEWCHYWIMHDRM-AWEZNQCLSA-N 2 2 369.381 0.990 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)CC2)c1 ZINC000926284745 1211525530 /nfs/dbraw/zinc/52/55/30/1211525530.db2.gz GCLRCEMOYYXPIG-QGZVFWFLSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926338105 1211534817 /nfs/dbraw/zinc/53/48/17/1211534817.db2.gz SHYRDXVKOXHFRM-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926338105 1211534824 /nfs/dbraw/zinc/53/48/24/1211534824.db2.gz SHYRDXVKOXHFRM-AEFFLSMTSA-N 2 2 358.486 0.917 20 0 FCADLP CN(C(=O)NCC1CC2(C1)OCCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927089645 1211564422 /nfs/dbraw/zinc/56/44/22/1211564422.db2.gz DSYXZHVSKKJXCM-KRWDZBQOSA-N 2 2 366.506 0.949 20 0 FCADLP CN(C(=O)NCC1CC2(C1)OCCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927089645 1211564428 /nfs/dbraw/zinc/56/44/28/1211564428.db2.gz DSYXZHVSKKJXCM-KRWDZBQOSA-N 2 2 366.506 0.949 20 0 FCADLP Cn1c2ccccc2nc1[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001221332335 1225298493 /nfs/dbraw/zinc/29/84/93/1225298493.db2.gz KKAOQWQOQSXZCN-PVUWLOKVSA-N 2 2 350.426 0.863 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1nnc(C)o1 ZINC001221337261 1225300359 /nfs/dbraw/zinc/30/03/59/1225300359.db2.gz PECJAXJEWIVRJH-HOCLYGCPSA-N 2 2 370.413 0.896 20 0 FCADLP COc1ccccc1[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nnc(C)o1 ZINC001221336398 1225300650 /nfs/dbraw/zinc/30/06/50/1225300650.db2.gz KURQLYGUAJCXAE-GGKPKWOWSA-N 2 2 357.414 0.814 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1nnc(C)o1 ZINC001221337833 1225300665 /nfs/dbraw/zinc/30/06/65/1225300665.db2.gz RLIABRCZURVOBL-HNJNHCNJSA-N 2 2 357.414 0.544 20 0 FCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000930171800 1211693641 /nfs/dbraw/zinc/69/36/41/1211693641.db2.gz VQBICYVXNMGVDN-WBVHZDCISA-N 2 2 373.501 0.414 20 0 FCADLP C[C@H](Cc1cccnc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000930171800 1211693643 /nfs/dbraw/zinc/69/36/43/1211693643.db2.gz VQBICYVXNMGVDN-WBVHZDCISA-N 2 2 373.501 0.414 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]21 ZINC000931277991 1211749099 /nfs/dbraw/zinc/74/90/99/1211749099.db2.gz VFGMQYALODWUGW-QLPKVWCKSA-N 2 2 366.506 0.948 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]21 ZINC000931277991 1211749100 /nfs/dbraw/zinc/74/91/00/1211749100.db2.gz VFGMQYALODWUGW-QLPKVWCKSA-N 2 2 366.506 0.948 20 0 FCADLP CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000931662213 1211768944 /nfs/dbraw/zinc/76/89/44/1211768944.db2.gz KLPRWKJDXSCTFQ-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152157 1211901868 /nfs/dbraw/zinc/90/18/68/1211901868.db2.gz QFQWYCACHNNYAE-KONPQCLYSA-N 2 2 359.474 0.981 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152157 1211901870 /nfs/dbraw/zinc/90/18/70/1211901870.db2.gz QFQWYCACHNNYAE-KONPQCLYSA-N 2 2 359.474 0.981 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111171780 1211910854 /nfs/dbraw/zinc/91/08/54/1211910854.db2.gz TYBIBZPBGNVGPM-VQHPVUNQSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001111171780 1211910857 /nfs/dbraw/zinc/91/08/57/1211910857.db2.gz TYBIBZPBGNVGPM-VQHPVUNQSA-N 2 2 366.506 0.297 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CC2)CC1 ZINC001111180646 1211913973 /nfs/dbraw/zinc/91/39/73/1211913973.db2.gz GYWNYYCFQFHRCT-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CC2)CC1 ZINC001111180646 1211913980 /nfs/dbraw/zinc/91/39/80/1211913980.db2.gz GYWNYYCFQFHRCT-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001095741066 1211951832 /nfs/dbraw/zinc/95/18/32/1211951832.db2.gz PKYQDMIALBTNMY-BSWAZPDLSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001095741066 1211951836 /nfs/dbraw/zinc/95/18/36/1211951836.db2.gz PKYQDMIALBTNMY-BSWAZPDLSA-N 2 2 366.425 0.491 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2O)CC1 ZINC000968452751 1211978035 /nfs/dbraw/zinc/97/80/35/1211978035.db2.gz PQSNRGQEKNKEAM-SJORKVTESA-N 2 2 371.441 0.206 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)nn1 ZINC001095768450 1211981255 /nfs/dbraw/zinc/98/12/55/1211981255.db2.gz FRVQTBZTPRAETN-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2c[nH+]cc2C)C3)nn1 ZINC001095768450 1211981263 /nfs/dbraw/zinc/98/12/63/1211981263.db2.gz FRVQTBZTPRAETN-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271424 1212006226 /nfs/dbraw/zinc/00/62/26/1212006226.db2.gz QXCGHZWKFYNDTH-UWIFEVILSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271424 1212006233 /nfs/dbraw/zinc/00/62/33/1212006233.db2.gz QXCGHZWKFYNDTH-UWIFEVILSA-N 2 2 371.441 0.610 20 0 FCADLP O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000947243175 1212011490 /nfs/dbraw/zinc/01/14/90/1212011490.db2.gz FSSQOUMOWKXNFF-BRWVUGGUSA-N 2 2 371.485 0.962 20 0 FCADLP O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000947243175 1212011498 /nfs/dbraw/zinc/01/14/98/1212011498.db2.gz FSSQOUMOWKXNFF-BRWVUGGUSA-N 2 2 371.485 0.962 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC000968605081 1212044477 /nfs/dbraw/zinc/04/44/77/1212044477.db2.gz IYLJFUCPHNIJIG-VUCTXSBTSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC000968605081 1212044479 /nfs/dbraw/zinc/04/44/79/1212044479.db2.gz IYLJFUCPHNIJIG-VUCTXSBTSA-N 2 2 371.441 0.349 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@@H](OC)CC3=O)CC2)CC1 ZINC000189129222 1212150698 /nfs/dbraw/zinc/15/06/98/1212150698.db2.gz YLHMXPYAPWWYKJ-KRWDZBQOSA-N 2 2 366.506 0.457 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2cnnn2C)O1 ZINC000968914157 1212178082 /nfs/dbraw/zinc/17/80/82/1212178082.db2.gz PDMQSHDDNCKZOO-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2cnnn2C)O1 ZINC000968914157 1212178087 /nfs/dbraw/zinc/17/80/87/1212178087.db2.gz PDMQSHDDNCKZOO-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2cnnn2C)O1 ZINC000968914157 1212178096 /nfs/dbraw/zinc/17/80/96/1212178096.db2.gz PDMQSHDDNCKZOO-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2Cc2cnnn2C)O1 ZINC000968914157 1212178102 /nfs/dbraw/zinc/17/81/02/1212178102.db2.gz PDMQSHDDNCKZOO-BFYDXBDKSA-N 2 2 364.494 0.395 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281316 1212233112 /nfs/dbraw/zinc/23/31/12/1212233112.db2.gz MUOXFUNMMXAPHD-ZACQAIPSSA-N 2 2 368.522 0.591 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281316 1212233115 /nfs/dbraw/zinc/23/31/15/1212233115.db2.gz MUOXFUNMMXAPHD-ZACQAIPSSA-N 2 2 368.522 0.591 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281609 1212234053 /nfs/dbraw/zinc/23/40/53/1212234053.db2.gz ZUOKZQBLGWLBHS-OAGGEKHMSA-N 2 2 362.518 0.966 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281609 1212234059 /nfs/dbraw/zinc/23/40/59/1212234059.db2.gz ZUOKZQBLGWLBHS-OAGGEKHMSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc4c(o3)CCCC4)C2)O1 ZINC000969071884 1212255289 /nfs/dbraw/zinc/25/52/89/1212255289.db2.gz LJXALIGBPVFRMC-CKEIUWERSA-N 2 2 362.474 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc4c(o3)CCCC4)C2)O1 ZINC000969071884 1212255294 /nfs/dbraw/zinc/25/52/94/1212255294.db2.gz LJXALIGBPVFRMC-CKEIUWERSA-N 2 2 362.474 0.963 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC000949197375 1212320640 /nfs/dbraw/zinc/32/06/40/1212320640.db2.gz NZINORLXBZPYKB-IJEWVQPXSA-N 2 2 360.458 0.548 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC000949197375 1212320645 /nfs/dbraw/zinc/32/06/45/1212320645.db2.gz NZINORLXBZPYKB-IJEWVQPXSA-N 2 2 360.458 0.548 20 0 FCADLP C[C@H](O)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949474986 1212387259 /nfs/dbraw/zinc/38/72/59/1212387259.db2.gz RKUGUPDWWSLOTP-ARFHVFGLSA-N 2 2 362.474 0.598 20 0 FCADLP C[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000949474986 1212387264 /nfs/dbraw/zinc/38/72/64/1212387264.db2.gz RKUGUPDWWSLOTP-ARFHVFGLSA-N 2 2 362.474 0.598 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001221551968 1225363845 /nfs/dbraw/zinc/36/38/45/1225363845.db2.gz ZOWAOHSDWXYCNU-BRWVUGGUSA-N 2 2 358.442 0.796 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001221551968 1225363849 /nfs/dbraw/zinc/36/38/49/1225363849.db2.gz ZOWAOHSDWXYCNU-BRWVUGGUSA-N 2 2 358.442 0.796 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001221555635 1225365137 /nfs/dbraw/zinc/36/51/37/1225365137.db2.gz QEAABHVHUTUSJS-KZNAEPCWSA-N 2 2 360.502 0.387 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NCC1CC1 ZINC001221555635 1225365146 /nfs/dbraw/zinc/36/51/46/1225365146.db2.gz QEAABHVHUTUSJS-KZNAEPCWSA-N 2 2 360.502 0.387 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC000949955207 1212491859 /nfs/dbraw/zinc/49/18/59/1212491859.db2.gz LDVWZCFQLSYEQP-BMFZPTHFSA-N 2 2 370.457 0.929 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298819 1212494064 /nfs/dbraw/zinc/49/40/64/1212494064.db2.gz SHYREOKMOFXCFX-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298819 1212494068 /nfs/dbraw/zinc/49/40/68/1212494068.db2.gz SHYREOKMOFXCFX-ZACQAIPSSA-N 2 2 368.522 0.593 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001007477502 1212500684 /nfs/dbraw/zinc/50/06/84/1212500684.db2.gz RWLIPEDLKKBZGV-VCBZYWHSSA-N 2 2 359.474 0.412 20 0 FCADLP 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2 359.474 0.437 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001221786976 1225480371 /nfs/dbraw/zinc/48/03/71/1225480371.db2.gz FSVNMXKGCNZFCO-BMGDILEWSA-N 2 2 362.518 0.776 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1)C1CC1 ZINC001221786976 1225480375 /nfs/dbraw/zinc/48/03/75/1225480375.db2.gz FSVNMXKGCNZFCO-BMGDILEWSA-N 2 2 362.518 0.776 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1)[NH+](C)C ZINC000960680409 1213888909 /nfs/dbraw/zinc/88/89/09/1213888909.db2.gz PTYDOHQRFIJMDU-HRCADAONSA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)Cn4cc[nH+]c4)C3)C2)CC[N@@H+]1C ZINC001014006068 1213917793 /nfs/dbraw/zinc/91/77/93/1213917793.db2.gz ZYXFEFMORMHPQG-ITFIPKOWSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)Cn4cc[nH+]c4)C3)C2)CC[N@H+]1C ZINC001014006068 1213917798 /nfs/dbraw/zinc/91/77/98/1213917798.db2.gz ZYXFEFMORMHPQG-ITFIPKOWSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCCC3)C2)O1 ZINC001014923814 1213977485 /nfs/dbraw/zinc/97/74/85/1213977485.db2.gz IWFYPRCKWQYOOK-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCCC3)C2)O1 ZINC001014923814 1213977493 /nfs/dbraw/zinc/97/74/93/1213977493.db2.gz IWFYPRCKWQYOOK-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)O1 ZINC001014923814 1213977503 /nfs/dbraw/zinc/97/75/03/1213977503.db2.gz IWFYPRCKWQYOOK-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)O1 ZINC001014923814 1213977511 /nfs/dbraw/zinc/97/75/11/1213977511.db2.gz IWFYPRCKWQYOOK-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCOc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001014923873 1213978164 /nfs/dbraw/zinc/97/81/64/1213978164.db2.gz JEAVAWLNXKOJAF-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CCOc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001014923873 1213978167 /nfs/dbraw/zinc/97/81/67/1213978167.db2.gz JEAVAWLNXKOJAF-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CCOc1cccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001014923873 1213978171 /nfs/dbraw/zinc/97/81/71/1213978171.db2.gz JEAVAWLNXKOJAF-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CCOc1cccc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001014923873 1213978179 /nfs/dbraw/zinc/97/81/79/1213978179.db2.gz JEAVAWLNXKOJAF-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001016831253 1214048451 /nfs/dbraw/zinc/04/84/51/1214048451.db2.gz QIMVMPZKKDNZIN-IIAWOOMASA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC001016832463 1214050240 /nfs/dbraw/zinc/05/02/40/1214050240.db2.gz BJJRKAPZMIOIOM-INMHGKMJSA-N 2 2 371.485 0.727 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ncnn3C)C2)O1 ZINC001017153468 1214077338 /nfs/dbraw/zinc/07/73/38/1214077338.db2.gz PWHVNRMOUCSZKG-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ncnn3C)C2)O1 ZINC001017153468 1214077342 /nfs/dbraw/zinc/07/73/42/1214077342.db2.gz PWHVNRMOUCSZKG-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ncnn3C)C2)O1 ZINC001017153468 1214077345 /nfs/dbraw/zinc/07/73/45/1214077345.db2.gz PWHVNRMOUCSZKG-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ncnn3C)C2)O1 ZINC001017153468 1214077352 /nfs/dbraw/zinc/07/73/52/1214077352.db2.gz PWHVNRMOUCSZKG-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001019031500 1214182046 /nfs/dbraw/zinc/18/20/46/1214182046.db2.gz OEEUKAQCZZIOPQ-QLFBSQMISA-N 2 2 364.494 0.348 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001019031500 1214182054 /nfs/dbraw/zinc/18/20/54/1214182054.db2.gz OEEUKAQCZZIOPQ-QLFBSQMISA-N 2 2 364.494 0.348 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001019038541 1214183456 /nfs/dbraw/zinc/18/34/56/1214183456.db2.gz UXWTVNLFKOYPCF-ARFHVFGLSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001019038541 1214183461 /nfs/dbraw/zinc/18/34/61/1214183461.db2.gz UXWTVNLFKOYPCF-ARFHVFGLSA-N 2 2 371.485 0.536 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CCc4c[nH]c[nH+]4)C3)C2)CC[N@@H+]1C ZINC001019120456 1214198868 /nfs/dbraw/zinc/19/88/68/1214198868.db2.gz CJFWIFBMGAOQST-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CCc4c[nH]c[nH+]4)C3)C2)CC[N@H+]1C ZINC001019120456 1214198872 /nfs/dbraw/zinc/19/88/72/1214198872.db2.gz CJFWIFBMGAOQST-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CCc4c[nH+]c[nH]4)C3)C2)CC[N@@H+]1C ZINC001019120456 1214198876 /nfs/dbraw/zinc/19/88/76/1214198876.db2.gz CJFWIFBMGAOQST-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)CCc4c[nH+]c[nH]4)C3)C2)CC[N@H+]1C ZINC001019120456 1214198882 /nfs/dbraw/zinc/19/88/82/1214198882.db2.gz CJFWIFBMGAOQST-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP COc1nccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001019406448 1214238019 /nfs/dbraw/zinc/23/80/19/1214238019.db2.gz CCHYRQINJFCXQH-RRFJBIMHSA-N 2 2 356.430 0.713 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001019406703 1214238094 /nfs/dbraw/zinc/23/80/94/1214238094.db2.gz QZTINKJTKJGJTK-RRFJBIMHSA-N 2 2 357.462 0.834 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]3C2)CC[N@@H+]1C ZINC000961666180 1214262772 /nfs/dbraw/zinc/26/27/72/1214262772.db2.gz GJYQLAISBGDBDJ-PNBKFKSVSA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]3C2)CC[N@H+]1C ZINC000961666180 1214262774 /nfs/dbraw/zinc/26/27/74/1214262774.db2.gz GJYQLAISBGDBDJ-PNBKFKSVSA-N 2 2 359.474 0.220 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221872635 1225516338 /nfs/dbraw/zinc/51/63/38/1225516338.db2.gz BGROSCQVTHXZIL-IAGOWNOFSA-N 2 2 359.474 0.737 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221872635 1225516342 /nfs/dbraw/zinc/51/63/42/1225516342.db2.gz BGROSCQVTHXZIL-IAGOWNOFSA-N 2 2 359.474 0.737 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C1CC1 ZINC001020288048 1214329119 /nfs/dbraw/zinc/32/91/19/1214329119.db2.gz WSVHKQUPIPJSFC-XKVFNRALSA-N 2 2 362.478 0.377 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C1CC1 ZINC001020288048 1214329127 /nfs/dbraw/zinc/32/91/27/1214329127.db2.gz WSVHKQUPIPJSFC-XKVFNRALSA-N 2 2 362.478 0.377 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C(C)(C)C)[nH]3)C2)O1 ZINC001020288071 1214329651 /nfs/dbraw/zinc/32/96/51/1214329651.db2.gz XYFYPNIQBZJZSN-AAVRWANBSA-N 2 2 364.494 0.558 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C(C)(C)C)[nH]3)C2)O1 ZINC001020288071 1214329658 /nfs/dbraw/zinc/32/96/58/1214329658.db2.gz XYFYPNIQBZJZSN-AAVRWANBSA-N 2 2 364.494 0.558 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H]2C)CC[N@@H+]1C ZINC001020301874 1214333676 /nfs/dbraw/zinc/33/36/76/1214333676.db2.gz CIZHNUWBCSBMRT-QSPRXWTASA-N 2 2 361.490 0.799 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H]2C)CC[N@H+]1C ZINC001020301874 1214333678 /nfs/dbraw/zinc/33/36/78/1214333678.db2.gz CIZHNUWBCSBMRT-QSPRXWTASA-N 2 2 361.490 0.799 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001221878059 1225519337 /nfs/dbraw/zinc/51/93/37/1225519337.db2.gz ZHTKZIHZZUXUMY-IIAWOOMASA-N 2 2 367.494 0.080 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21)C(C)C ZINC001221878059 1225519341 /nfs/dbraw/zinc/51/93/41/1225519341.db2.gz ZHTKZIHZZUXUMY-IIAWOOMASA-N 2 2 367.494 0.080 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039132941 1214372229 /nfs/dbraw/zinc/37/22/29/1214372229.db2.gz DFVCBFHSEBZQHY-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039132941 1214372235 /nfs/dbraw/zinc/37/22/35/1214372235.db2.gz DFVCBFHSEBZQHY-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039132941 1214372238 /nfs/dbraw/zinc/37/22/38/1214372238.db2.gz DFVCBFHSEBZQHY-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001039132941 1214372246 /nfs/dbraw/zinc/37/22/46/1214372246.db2.gz DFVCBFHSEBZQHY-ARFHVFGLSA-N 2 2 359.474 0.820 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622296 1214418598 /nfs/dbraw/zinc/41/85/98/1214418598.db2.gz RTCVJANYEWIVHA-BMFZPTHFSA-N 2 2 370.461 0.725 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622296 1214418601 /nfs/dbraw/zinc/41/86/01/1214418601.db2.gz RTCVJANYEWIVHA-BMFZPTHFSA-N 2 2 370.461 0.725 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ncnn2C)C3)CC[N@@H+]1C ZINC001040209553 1214484707 /nfs/dbraw/zinc/48/47/07/1214484707.db2.gz KLYMIKZOYBGNMR-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ncnn2C)C3)CC[N@H+]1C ZINC001040209553 1214484710 /nfs/dbraw/zinc/48/47/10/1214484710.db2.gz KLYMIKZOYBGNMR-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ncnn2C)C3)CC[NH+]1C ZINC001040209553 1214484715 /nfs/dbraw/zinc/48/47/15/1214484715.db2.gz KLYMIKZOYBGNMR-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ncnn2C)C3)CC[NH+]1C ZINC001040209553 1214484721 /nfs/dbraw/zinc/48/47/21/1214484721.db2.gz KLYMIKZOYBGNMR-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001040639602 1214549063 /nfs/dbraw/zinc/54/90/63/1214549063.db2.gz GRPVVHRPNHXBAQ-DZGCQCFKSA-N 2 2 355.446 0.496 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221921985 1225535884 /nfs/dbraw/zinc/53/58/84/1225535884.db2.gz UMHQOPXEXXXNBX-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221921985 1225535887 /nfs/dbraw/zinc/53/58/87/1225535887.db2.gz UMHQOPXEXXXNBX-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221921985 1225535889 /nfs/dbraw/zinc/53/58/89/1225535889.db2.gz UMHQOPXEXXXNBX-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C[C@H]21 ZINC001221921985 1225535894 /nfs/dbraw/zinc/53/58/94/1225535894.db2.gz UMHQOPXEXXXNBX-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP Cc1cc(N2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)nc(C)[nH+]1 ZINC001040672186 1214558496 /nfs/dbraw/zinc/55/84/96/1214558496.db2.gz PFIZMDSIXGQDRV-DLBZAZTESA-N 2 2 359.474 0.853 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c2c([nH+]1)CCCC2 ZINC001040944598 1214631806 /nfs/dbraw/zinc/63/18/06/1214631806.db2.gz LVODHELDBIUJCY-IXDOHACOSA-N 2 2 359.474 0.424 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c2c([nH+]1)CCCC2 ZINC001040944598 1214631811 /nfs/dbraw/zinc/63/18/11/1214631811.db2.gz LVODHELDBIUJCY-IXDOHACOSA-N 2 2 359.474 0.424 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221947253 1225548098 /nfs/dbraw/zinc/54/80/98/1225548098.db2.gz ZUSQTSOGXVTEOA-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221947253 1225548102 /nfs/dbraw/zinc/54/81/02/1225548102.db2.gz ZUSQTSOGXVTEOA-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950134 1225548953 /nfs/dbraw/zinc/54/89/53/1225548953.db2.gz VAKOLUZAATUBJQ-NVXWUHKLSA-N 2 2 362.518 0.920 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950134 1225548956 /nfs/dbraw/zinc/54/89/56/1225548956.db2.gz VAKOLUZAATUBJQ-NVXWUHKLSA-N 2 2 362.518 0.920 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945223 1225546844 /nfs/dbraw/zinc/54/68/44/1225546844.db2.gz JLMMCZIWTIPVQS-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945223 1225546848 /nfs/dbraw/zinc/54/68/48/1225546848.db2.gz JLMMCZIWTIPVQS-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945223 1225546851 /nfs/dbraw/zinc/54/68/51/1225546851.db2.gz JLMMCZIWTIPVQS-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945223 1225546854 /nfs/dbraw/zinc/54/68/54/1225546854.db2.gz JLMMCZIWTIPVQS-GVDBMIGSSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000963605961 1214831566 /nfs/dbraw/zinc/83/15/66/1214831566.db2.gz QKHBCPIDBUMIOC-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000963605961 1214831567 /nfs/dbraw/zinc/83/15/67/1214831567.db2.gz QKHBCPIDBUMIOC-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@@H+]1C ZINC000963925849 1214876224 /nfs/dbraw/zinc/87/62/24/1214876224.db2.gz WEQGEIADOGDHSW-FVQBIDKESA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)CC[N@H+]1C ZINC000963925849 1214876227 /nfs/dbraw/zinc/87/62/27/1214876227.db2.gz WEQGEIADOGDHSW-FVQBIDKESA-N 2 2 359.474 0.790 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221979465 1225559972 /nfs/dbraw/zinc/55/99/72/1225559972.db2.gz FHPOSHOJZMBWAT-SOLBZPMBSA-N 2 2 364.490 0.827 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)COCC(C)C)C[C@H]21 ZINC001221979465 1225559973 /nfs/dbraw/zinc/55/99/73/1225559973.db2.gz FHPOSHOJZMBWAT-SOLBZPMBSA-N 2 2 364.490 0.827 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)Cn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC000964132612 1214899850 /nfs/dbraw/zinc/89/98/50/1214899850.db2.gz QDAPMQFYCLLAJQ-BZUAXINKSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C[C@H]3NC(=O)Cn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC000964132612 1214899851 /nfs/dbraw/zinc/89/98/51/1214899851.db2.gz QDAPMQFYCLLAJQ-BZUAXINKSA-N 2 2 359.474 0.721 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCN(C)C1=O)C2 ZINC000965159954 1215026665 /nfs/dbraw/zinc/02/66/65/1215026665.db2.gz JBQLRTFWGWPBGM-FMHGDRJNSA-N 2 2 371.485 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnnn1C)C2 ZINC000965161503 1215026743 /nfs/dbraw/zinc/02/67/43/1215026743.db2.gz TWQJAMLOPYARGB-AMUHYVEISA-N 2 2 369.473 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCn1cncn1)C2 ZINC000965162081 1215026748 /nfs/dbraw/zinc/02/67/48/1215026748.db2.gz YJUCMQWTDIIAHM-UFSDWWJCSA-N 2 2 369.473 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000965970493 1215153284 /nfs/dbraw/zinc/15/32/84/1215153284.db2.gz FYVGQAOFXGJVFX-KLHDSHLOSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000965970493 1215153288 /nfs/dbraw/zinc/15/32/88/1215153288.db2.gz FYVGQAOFXGJVFX-KLHDSHLOSA-N 2 2 359.474 0.725 20 0 FCADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000967991120 1215268959 /nfs/dbraw/zinc/26/89/59/1215268959.db2.gz GOCDYBKNDVPERW-BRWVUGGUSA-N 2 2 371.485 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000967991120 1215268962 /nfs/dbraw/zinc/26/89/62/1215268962.db2.gz GOCDYBKNDVPERW-BRWVUGGUSA-N 2 2 371.485 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000968088253 1215282823 /nfs/dbraw/zinc/28/28/23/1215282823.db2.gz BHRJITUQAPUHHP-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000968088253 1215282827 /nfs/dbraw/zinc/28/28/27/1215282827.db2.gz BHRJITUQAPUHHP-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489551 1225627851 /nfs/dbraw/zinc/62/78/51/1225627851.db2.gz WJLQHODHKPXLPJ-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489551 1225627855 /nfs/dbraw/zinc/62/78/55/1225627855.db2.gz WJLQHODHKPXLPJ-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489551 1225627862 /nfs/dbraw/zinc/62/78/62/1225627862.db2.gz WJLQHODHKPXLPJ-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC(C)(C)C)[C@H]3C2)C1 ZINC001222489551 1225627864 /nfs/dbraw/zinc/62/78/64/1225627864.db2.gz WJLQHODHKPXLPJ-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222598776 1225637697 /nfs/dbraw/zinc/63/76/97/1225637697.db2.gz VDFCLIZSHCPLPE-ZBFHGGJFSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@@H+](CCNC(=O)C3CC3)[C@H]2C1 ZINC001222598776 1225637702 /nfs/dbraw/zinc/63/77/02/1225637702.db2.gz VDFCLIZSHCPLPE-ZBFHGGJFSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC[N@@H+]1C ZINC001056801636 1215986205 /nfs/dbraw/zinc/98/62/05/1215986205.db2.gz BZDUGXINQRNEFY-RBSFLKMASA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC[N@H+]1C ZINC001056801636 1215986210 /nfs/dbraw/zinc/98/62/10/1215986210.db2.gz BZDUGXINQRNEFY-RBSFLKMASA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3ncnc4c3C[N@H+](C)CC4)C2)CC[NH+]1C ZINC001056801636 1215986214 /nfs/dbraw/zinc/98/62/14/1215986214.db2.gz BZDUGXINQRNEFY-RBSFLKMASA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3ncnc4c3C[N@@H+](C)CC4)C2)CC[NH+]1C ZINC001056801636 1215986217 /nfs/dbraw/zinc/98/62/17/1215986217.db2.gz BZDUGXINQRNEFY-RBSFLKMASA-N 2 2 358.490 0.818 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001000010582 1215991550 /nfs/dbraw/zinc/99/15/50/1215991550.db2.gz WICUFSYSVCGSST-HUUCEWRRSA-N 2 2 371.441 0.819 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)[C@@H](c2ccccc2)C1 ZINC001000349230 1216039568 /nfs/dbraw/zinc/03/95/68/1216039568.db2.gz WDEWXDAUJZOLRA-SJORKVTESA-N 2 2 367.453 0.625 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)[C@@H](c2ccccc2)C1 ZINC001000349230 1216039572 /nfs/dbraw/zinc/03/95/72/1216039572.db2.gz WDEWXDAUJZOLRA-SJORKVTESA-N 2 2 367.453 0.625 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000494950 1216073782 /nfs/dbraw/zinc/07/37/82/1216073782.db2.gz TWBTULFTYSGNSJ-PMPSAXMXSA-N 2 2 359.474 0.932 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000494950 1216073787 /nfs/dbraw/zinc/07/37/87/1216073787.db2.gz TWBTULFTYSGNSJ-PMPSAXMXSA-N 2 2 359.474 0.932 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H](C)c3nnnn3C)CC2)CC[N@@H+]1C ZINC001001427006 1216198056 /nfs/dbraw/zinc/19/80/56/1216198056.db2.gz ZRPGHOKHJLXEMR-CWRNSKLLSA-N 2 2 363.510 0.830 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+]([C@@H](C)c3nnnn3C)CC2)CC[N@H+]1C ZINC001001427006 1216198071 /nfs/dbraw/zinc/19/80/71/1216198071.db2.gz ZRPGHOKHJLXEMR-CWRNSKLLSA-N 2 2 363.510 0.830 20 0 FCADLP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001533038 1216237125 /nfs/dbraw/zinc/23/71/25/1216237125.db2.gz NWFIMKHAGZALEG-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001533038 1216237140 /nfs/dbraw/zinc/23/71/40/1216237140.db2.gz NWFIMKHAGZALEG-DVOMOZLQSA-N 2 2 365.478 0.986 20 0 FCADLP CCn1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001532556 1216237872 /nfs/dbraw/zinc/23/78/72/1216237872.db2.gz NIEOYDATNZQIBV-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001001532556 1216237878 /nfs/dbraw/zinc/23/78/78/1216237878.db2.gz NIEOYDATNZQIBV-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001050454429 1216320463 /nfs/dbraw/zinc/32/04/63/1216320463.db2.gz JRXNVNHRQJMPAI-IPYPFGDCSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001050454429 1216320468 /nfs/dbraw/zinc/32/04/68/1216320468.db2.gz JRXNVNHRQJMPAI-IPYPFGDCSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001051016569 1216388273 /nfs/dbraw/zinc/38/82/73/1216388273.db2.gz PUPVCYBMCPGSDO-GUTXKFCHSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001051016569 1216388281 /nfs/dbraw/zinc/38/82/81/1216388281.db2.gz PUPVCYBMCPGSDO-GUTXKFCHSA-N 2 2 357.462 0.789 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001222976951 1225671008 /nfs/dbraw/zinc/67/10/08/1225671008.db2.gz YRBKLHJXJCNBGV-KURKYZTESA-N 2 2 362.518 0.920 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001222976951 1225671011 /nfs/dbraw/zinc/67/10/11/1225671011.db2.gz YRBKLHJXJCNBGV-KURKYZTESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001222976951 1225671013 /nfs/dbraw/zinc/67/10/13/1225671013.db2.gz YRBKLHJXJCNBGV-KURKYZTESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)[C@H]2C1 ZINC001222976951 1225671017 /nfs/dbraw/zinc/67/10/17/1225671017.db2.gz YRBKLHJXJCNBGV-KURKYZTESA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(C4CC4)no3)C2)CC[N@@H+]1C ZINC001051624574 1216470286 /nfs/dbraw/zinc/47/02/86/1216470286.db2.gz RRNNNMBOEPQIFG-VHDGCEQUSA-N 2 2 363.462 0.604 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(C4CC4)no3)C2)CC[N@H+]1C ZINC001051624574 1216470295 /nfs/dbraw/zinc/47/02/95/1216470295.db2.gz RRNNNMBOEPQIFG-VHDGCEQUSA-N 2 2 363.462 0.604 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CC1 ZINC001098098750 1216804220 /nfs/dbraw/zinc/80/42/20/1216804220.db2.gz PYDGQPJVZCEOLK-ZACQAIPSSA-N 2 2 363.506 0.465 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CC1 ZINC001098098750 1216804221 /nfs/dbraw/zinc/80/42/21/1216804221.db2.gz PYDGQPJVZCEOLK-ZACQAIPSSA-N 2 2 363.506 0.465 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001069963883 1216870662 /nfs/dbraw/zinc/87/06/62/1216870662.db2.gz SLJBQBRLLFZMQV-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001069963883 1216870665 /nfs/dbraw/zinc/87/06/65/1216870665.db2.gz SLJBQBRLLFZMQV-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001070023611 1216902566 /nfs/dbraw/zinc/90/25/66/1216902566.db2.gz ZZEKTGKMXZRHMG-CFVMTHIKSA-N 2 2 361.425 0.822 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001070023611 1216902570 /nfs/dbraw/zinc/90/25/70/1216902570.db2.gz ZZEKTGKMXZRHMG-CFVMTHIKSA-N 2 2 361.425 0.822 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)on1 ZINC001223431405 1225706346 /nfs/dbraw/zinc/70/63/46/1225706346.db2.gz ZHHNUGLNIIJDTL-CABCVRRESA-N 2 2 363.462 0.796 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)on1 ZINC001223431405 1225706348 /nfs/dbraw/zinc/70/63/48/1225706348.db2.gz ZHHNUGLNIIJDTL-CABCVRRESA-N 2 2 363.462 0.796 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223522235 1225712554 /nfs/dbraw/zinc/71/25/54/1225712554.db2.gz NJKLFCVMAKIMDJ-KONPQCLYSA-N 2 2 373.501 0.971 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001223522235 1225712560 /nfs/dbraw/zinc/71/25/60/1225712560.db2.gz NJKLFCVMAKIMDJ-KONPQCLYSA-N 2 2 373.501 0.971 20 0 FCADLP CC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276901362 1225717123 /nfs/dbraw/zinc/71/71/23/1225717123.db2.gz PTXCROIWSGKGFZ-FUHWJXTLSA-N 2 2 364.534 0.820 20 0 FCADLP CC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276901362 1225717125 /nfs/dbraw/zinc/71/71/25/1225717125.db2.gz PTXCROIWSGKGFZ-FUHWJXTLSA-N 2 2 364.534 0.820 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4nccn4C)C3)C2)O1 ZINC001041401382 1217312441 /nfs/dbraw/zinc/31/24/41/1217312441.db2.gz ARGKLCBJAOGTOH-GPMSIDNRSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4nccn4C)C3)C2)O1 ZINC001041401382 1217312450 /nfs/dbraw/zinc/31/24/50/1217312450.db2.gz ARGKLCBJAOGTOH-GPMSIDNRSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4nccn4C)C3)C2)O1 ZINC001041401382 1217312456 /nfs/dbraw/zinc/31/24/56/1217312456.db2.gz ARGKLCBJAOGTOH-GPMSIDNRSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nccn4C)C3)C2)O1 ZINC001041401382 1217312463 /nfs/dbraw/zinc/31/24/63/1217312463.db2.gz ARGKLCBJAOGTOH-GPMSIDNRSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001042422649 1217417106 /nfs/dbraw/zinc/41/71/06/1217417106.db2.gz IPCCEHFCFLHOIX-YUELXQCFSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001042422649 1217417108 /nfs/dbraw/zinc/41/71/08/1217417108.db2.gz IPCCEHFCFLHOIX-YUELXQCFSA-N 2 2 357.462 0.789 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912421 1225745277 /nfs/dbraw/zinc/74/52/77/1225745277.db2.gz SZWIWKWBTWVZGT-WBVHZDCISA-N 2 2 361.490 0.754 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223912421 1225745280 /nfs/dbraw/zinc/74/52/80/1225745280.db2.gz SZWIWKWBTWVZGT-WBVHZDCISA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001042929717 1217519675 /nfs/dbraw/zinc/51/96/75/1217519675.db2.gz JMMJRRVRSRXMRN-HZPDHXFCSA-N 2 2 358.446 0.927 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036658 1225753544 /nfs/dbraw/zinc/75/35/44/1225753544.db2.gz JTJCDPYBOLJFOX-WBVHZDCISA-N 2 2 361.490 0.800 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036658 1225753549 /nfs/dbraw/zinc/75/35/49/1225753549.db2.gz JTJCDPYBOLJFOX-WBVHZDCISA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043337334 1217637563 /nfs/dbraw/zinc/63/75/63/1217637563.db2.gz KLZKIYSTVORSRB-DAXOMENPSA-N 2 2 369.473 0.964 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)cc[nH+]1 ZINC001043638753 1217686923 /nfs/dbraw/zinc/68/69/23/1217686923.db2.gz DUNJVPWQKGDNTG-JLTYKUFRSA-N 2 2 357.458 0.907 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)cc[nH+]1 ZINC001043638753 1217686928 /nfs/dbraw/zinc/68/69/28/1217686928.db2.gz DUNJVPWQKGDNTG-JLTYKUFRSA-N 2 2 357.458 0.907 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044024537 1217792455 /nfs/dbraw/zinc/79/24/55/1217792455.db2.gz OMXVCPKUZZCTAS-CVEARBPZSA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044065759 1217800794 /nfs/dbraw/zinc/80/07/94/1217800794.db2.gz UOHTVWWQMWJJDI-CABCVRRESA-N 2 2 357.458 0.424 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044207864 1217818526 /nfs/dbraw/zinc/81/85/26/1217818526.db2.gz YRBXNHQGAKNMKX-ZACQAIPSSA-N 2 2 359.474 0.409 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044249284 1217825399 /nfs/dbraw/zinc/82/53/99/1217825399.db2.gz QNJYFIWTRSIWPO-ILXRZTDVSA-N 2 2 356.430 0.533 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001224306958 1225772670 /nfs/dbraw/zinc/77/26/70/1225772670.db2.gz QPDJJPIVWKQRAV-UAGQMJEPSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)C1CC1 ZINC001224306958 1225772673 /nfs/dbraw/zinc/77/26/73/1225772673.db2.gz QPDJJPIVWKQRAV-UAGQMJEPSA-N 2 2 359.474 0.721 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@@H]1O)CC2 ZINC001044442192 1217846920 /nfs/dbraw/zinc/84/69/20/1217846920.db2.gz URFYLOHUWCDGRY-OIISXLGYSA-N 2 2 370.457 0.527 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001044684334 1217870559 /nfs/dbraw/zinc/87/05/59/1217870559.db2.gz FHIQEBLBQRDVQN-FOZNTRSISA-N 2 2 373.501 0.670 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001044684334 1217870561 /nfs/dbraw/zinc/87/05/61/1217870561.db2.gz FHIQEBLBQRDVQN-FOZNTRSISA-N 2 2 373.501 0.670 20 0 FCADLP C[NH+](C)CCn1nccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900445712 1217989813 /nfs/dbraw/zinc/98/98/13/1217989813.db2.gz JOYOORGHIVFVQF-UHFFFAOYSA-N 3 2 362.522 0.733 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000900602738 1218011357 /nfs/dbraw/zinc/01/13/57/1218011357.db2.gz RUEPLBLPTATHJL-RBUKOAKNSA-N 2 2 366.550 0.850 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001046632684 1218060026 /nfs/dbraw/zinc/06/00/26/1218060026.db2.gz HSQMTLRSTVSGCR-CLCXKQKWSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001046632684 1218060030 /nfs/dbraw/zinc/06/00/30/1218060030.db2.gz HSQMTLRSTVSGCR-CLCXKQKWSA-N 2 2 359.474 0.727 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249176 1218185244 /nfs/dbraw/zinc/18/52/44/1218185244.db2.gz PJUPXDRWOYSFCQ-VZEFYGNVSA-N 2 2 368.441 0.737 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249176 1218185250 /nfs/dbraw/zinc/18/52/50/1218185250.db2.gz PJUPXDRWOYSFCQ-VZEFYGNVSA-N 2 2 368.441 0.737 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4ccon4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829518 1218324734 /nfs/dbraw/zinc/32/47/34/1218324734.db2.gz QZCQSCNGSSYGDZ-APIJFGDWSA-N 2 2 361.446 0.344 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)Nc4ccon4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829518 1218324739 /nfs/dbraw/zinc/32/47/39/1218324739.db2.gz QZCQSCNGSSYGDZ-APIJFGDWSA-N 2 2 361.446 0.344 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)Nc4ccon4)C[C@@H]3C2)CC[NH+]1C ZINC001048829518 1218324744 /nfs/dbraw/zinc/32/47/44/1218324744.db2.gz QZCQSCNGSSYGDZ-APIJFGDWSA-N 2 2 361.446 0.344 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)Nc4ccon4)C[C@@H]3C2)CC[NH+]1C ZINC001048829518 1218324751 /nfs/dbraw/zinc/32/47/51/1218324751.db2.gz QZCQSCNGSSYGDZ-APIJFGDWSA-N 2 2 361.446 0.344 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001096434091 1218329891 /nfs/dbraw/zinc/32/98/91/1218329891.db2.gz YCPAKCXOGRGDRA-PVAVHDDUSA-N 2 2 355.442 0.881 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001096434091 1218329897 /nfs/dbraw/zinc/32/98/97/1218329897.db2.gz YCPAKCXOGRGDRA-PVAVHDDUSA-N 2 2 355.442 0.881 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873595 1218332143 /nfs/dbraw/zinc/33/21/43/1218332143.db2.gz RSAMLRWQRJDDOP-NQNKBUKLSA-N 2 2 371.485 0.820 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873595 1218332152 /nfs/dbraw/zinc/33/21/52/1218332152.db2.gz RSAMLRWQRJDDOP-NQNKBUKLSA-N 2 2 371.485 0.820 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873595 1218332158 /nfs/dbraw/zinc/33/21/58/1218332158.db2.gz RSAMLRWQRJDDOP-NQNKBUKLSA-N 2 2 371.485 0.820 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]2C1 ZINC001048873595 1218332164 /nfs/dbraw/zinc/33/21/64/1218332164.db2.gz RSAMLRWQRJDDOP-NQNKBUKLSA-N 2 2 371.485 0.820 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048874915 1218332660 /nfs/dbraw/zinc/33/26/60/1218332660.db2.gz YPTAPRSEXYUOCH-DXWTWGPWSA-N 2 2 371.485 0.913 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048874915 1218332666 /nfs/dbraw/zinc/33/26/66/1218332666.db2.gz YPTAPRSEXYUOCH-DXWTWGPWSA-N 2 2 371.485 0.913 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048874915 1218332671 /nfs/dbraw/zinc/33/26/71/1218332671.db2.gz YPTAPRSEXYUOCH-DXWTWGPWSA-N 2 2 371.485 0.913 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048874915 1218332678 /nfs/dbraw/zinc/33/26/78/1218332678.db2.gz YPTAPRSEXYUOCH-DXWTWGPWSA-N 2 2 371.485 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC001049067008 1218373220 /nfs/dbraw/zinc/37/32/20/1218373220.db2.gz VSWJKWCGIYDAMF-YYIAUSFCSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2C1 ZINC001049067008 1218373224 /nfs/dbraw/zinc/37/32/24/1218373224.db2.gz VSWJKWCGIYDAMF-YYIAUSFCSA-N 2 2 371.485 0.536 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000803351518 1218394037 /nfs/dbraw/zinc/39/40/37/1218394037.db2.gz QTEUPPUYIWSGMC-INIZCTEOSA-N 2 2 371.441 0.325 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000803351518 1218394043 /nfs/dbraw/zinc/39/40/43/1218394043.db2.gz QTEUPPUYIWSGMC-INIZCTEOSA-N 2 2 371.441 0.325 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049383864 1218432568 /nfs/dbraw/zinc/43/25/68/1218432568.db2.gz FQLVHDGFUHBUPL-ILXRZTDVSA-N 2 2 369.473 0.600 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049383864 1218432583 /nfs/dbraw/zinc/43/25/83/1218432583.db2.gz FQLVHDGFUHBUPL-ILXRZTDVSA-N 2 2 369.473 0.600 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCCCC1 ZINC001096549595 1218478930 /nfs/dbraw/zinc/47/89/30/1218478930.db2.gz HPSOZOSODXZTSB-IKGGRYGDSA-N 2 2 359.474 0.926 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCCCC1 ZINC001096549595 1218478935 /nfs/dbraw/zinc/47/89/35/1218478935.db2.gz HPSOZOSODXZTSB-IKGGRYGDSA-N 2 2 359.474 0.926 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001096545829 1218487340 /nfs/dbraw/zinc/48/73/40/1218487340.db2.gz PXCGXCCCCYKJJM-VSZNYVQBSA-N 2 2 360.502 0.957 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001096545829 1218487346 /nfs/dbraw/zinc/48/73/46/1218487346.db2.gz PXCGXCCCCYKJJM-VSZNYVQBSA-N 2 2 360.502 0.957 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)CN(Cc3cccc4[nH+]ccn43)C[C@@]2(F)C1=O ZINC001277112387 1225837863 /nfs/dbraw/zinc/83/78/63/1225837863.db2.gz IPSHPQPRNDMEGT-ZWKOTPCHSA-N 2 2 363.412 0.970 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912023 1218637698 /nfs/dbraw/zinc/63/76/98/1218637698.db2.gz VQHGBLSFUCOZQG-BDXSIMOUSA-N 2 2 372.469 0.338 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912023 1218637702 /nfs/dbraw/zinc/63/77/02/1218637702.db2.gz VQHGBLSFUCOZQG-BDXSIMOUSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912023 1218637706 /nfs/dbraw/zinc/63/77/06/1218637706.db2.gz VQHGBLSFUCOZQG-BDXSIMOUSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001096912023 1218637709 /nfs/dbraw/zinc/63/77/09/1218637709.db2.gz VQHGBLSFUCOZQG-BDXSIMOUSA-N 2 2 372.469 0.338 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112856 1218691394 /nfs/dbraw/zinc/69/13/94/1218691394.db2.gz GSFWKNDJMBQYSY-FPCVCCKLSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001097112856 1218691398 /nfs/dbraw/zinc/69/13/98/1218691398.db2.gz GSFWKNDJMBQYSY-FPCVCCKLSA-N 2 2 359.474 0.747 20 0 FCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001097113725 1218692732 /nfs/dbraw/zinc/69/27/32/1218692732.db2.gz ZFMCVJOFTXLYBE-WCXIOVBPSA-N 2 2 371.485 0.714 20 0 FCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2cn4c([nH+]2)CCCC4)C3)C1=O ZINC001097113725 1218692737 /nfs/dbraw/zinc/69/27/37/1218692737.db2.gz ZFMCVJOFTXLYBE-WCXIOVBPSA-N 2 2 371.485 0.714 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)c[nH+]1 ZINC001097317479 1218772983 /nfs/dbraw/zinc/77/29/83/1218772983.db2.gz CELYXQCRDJNBKU-OAGGEKHMSA-N 2 2 357.462 0.940 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)c[nH+]1 ZINC001097317479 1218772993 /nfs/dbraw/zinc/77/29/93/1218772993.db2.gz CELYXQCRDJNBKU-OAGGEKHMSA-N 2 2 357.462 0.940 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2)N1CCCC1 ZINC001097429928 1218807899 /nfs/dbraw/zinc/80/78/99/1218807899.db2.gz BGJYVKXQYFNYEX-ZACQAIPSSA-N 2 2 360.502 0.959 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2)N1CCCC1 ZINC001097429928 1218807901 /nfs/dbraw/zinc/80/79/01/1218807901.db2.gz BGJYVKXQYFNYEX-ZACQAIPSSA-N 2 2 360.502 0.959 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001097507929 1218813402 /nfs/dbraw/zinc/81/34/02/1218813402.db2.gz PKYQDMIALBTNMY-MXASKKJJSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001097507929 1218813403 /nfs/dbraw/zinc/81/34/03/1218813403.db2.gz PKYQDMIALBTNMY-MXASKKJJSA-N 2 2 366.425 0.491 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001097551369 1218817708 /nfs/dbraw/zinc/81/77/08/1218817708.db2.gz HFYRIFDFFFDSOL-WCXIOVBPSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001097551369 1218817709 /nfs/dbraw/zinc/81/77/09/1218817709.db2.gz HFYRIFDFFFDSOL-WCXIOVBPSA-N 2 2 359.474 0.922 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001097556304 1218818473 /nfs/dbraw/zinc/81/84/73/1218818473.db2.gz SXKDEHLKKQEIQD-WCZJQEMASA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001097556304 1218818474 /nfs/dbraw/zinc/81/84/74/1218818474.db2.gz SXKDEHLKKQEIQD-WCZJQEMASA-N 2 2 371.485 0.762 20 0 FCADLP Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564530 1218819879 /nfs/dbraw/zinc/81/98/79/1218819879.db2.gz LONIVTKNPHNIHJ-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564530 1218819884 /nfs/dbraw/zinc/81/98/84/1218819884.db2.gz LONIVTKNPHNIHJ-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001097564530 1218819885 /nfs/dbraw/zinc/81/98/85/1218819885.db2.gz LONIVTKNPHNIHJ-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP Cn1nccc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001097564530 1218819887 /nfs/dbraw/zinc/81/98/87/1218819887.db2.gz LONIVTKNPHNIHJ-DYUVLFMBSA-N 2 2 371.485 0.505 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001097734767 1218842424 /nfs/dbraw/zinc/84/24/24/1218842424.db2.gz VKKPOTFMYQPKHU-WCVJEAGWSA-N 2 2 360.458 0.955 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001097734767 1218842425 /nfs/dbraw/zinc/84/24/25/1218842425.db2.gz VKKPOTFMYQPKHU-WCVJEAGWSA-N 2 2 360.458 0.955 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1Nc1ncccn1 ZINC001052727066 1218860684 /nfs/dbraw/zinc/86/06/84/1218860684.db2.gz DIHHTCNHFYPKDY-RBSFLKMASA-N 2 2 355.446 0.711 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1Nc1ncccn1 ZINC001052727066 1218860685 /nfs/dbraw/zinc/86/06/85/1218860685.db2.gz DIHHTCNHFYPKDY-RBSFLKMASA-N 2 2 355.446 0.711 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)[nH+]1 ZINC001053652897 1218889552 /nfs/dbraw/zinc/88/95/52/1218889552.db2.gz BIWWETAUQIQBON-BPLDGKMQSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)[nH+]1 ZINC001053652897 1218889553 /nfs/dbraw/zinc/88/95/53/1218889553.db2.gz BIWWETAUQIQBON-BPLDGKMQSA-N 2 2 361.494 0.847 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001097953286 1218948041 /nfs/dbraw/zinc/94/80/41/1218948041.db2.gz ZSJKLSDOFFRPPT-LVQVYYBASA-N 2 2 359.474 0.959 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001097953286 1218948050 /nfs/dbraw/zinc/94/80/50/1218948050.db2.gz ZSJKLSDOFFRPPT-LVQVYYBASA-N 2 2 359.474 0.959 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227164697 1225864938 /nfs/dbraw/zinc/86/49/38/1225864938.db2.gz FCTJLKSLZNOCFY-USXIJHARSA-N 2 2 361.490 0.987 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113035 1219117898 /nfs/dbraw/zinc/11/78/98/1219117898.db2.gz DWXBJFARMNYCQU-ZACQAIPSSA-N 2 2 368.441 0.691 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113035 1219117901 /nfs/dbraw/zinc/11/79/01/1219117901.db2.gz DWXBJFARMNYCQU-ZACQAIPSSA-N 2 2 368.441 0.691 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217391 1219299441 /nfs/dbraw/zinc/29/94/41/1219299441.db2.gz CCTHUWIGKLXLBF-OAGGEKHMSA-N 2 2 361.450 0.456 20 0 FCADLP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001070239101 1219313120 /nfs/dbraw/zinc/31/31/20/1219313120.db2.gz VUCBFZMRBLKNER-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001070239101 1219313123 /nfs/dbraw/zinc/31/31/23/1219313123.db2.gz VUCBFZMRBLKNER-ZIAGYGMSSA-N 2 2 363.462 0.247 20 0 FCADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839476 1225888162 /nfs/dbraw/zinc/88/81/62/1225888162.db2.gz DDPZRNVFWYBYTL-ZIAGYGMSSA-N 2 2 364.450 0.136 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2[NH2+]CCF)c1 ZINC001070506649 1219444012 /nfs/dbraw/zinc/44/40/12/1219444012.db2.gz LAKQPWUIXTWQNI-UKPHBRMFSA-N 2 2 360.437 0.733 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2[NH2+]CCF)c1 ZINC001070506698 1219444106 /nfs/dbraw/zinc/44/41/06/1219444106.db2.gz MTXFHGQUJNTJKI-UKPHBRMFSA-N 2 2 360.437 0.733 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001070513464 1219448258 /nfs/dbraw/zinc/44/82/58/1219448258.db2.gz PWVQSECJFLEWLR-OFQRWUPVSA-N 2 2 368.441 0.646 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC)C1 ZINC001070516747 1219449419 /nfs/dbraw/zinc/44/94/19/1219449419.db2.gz LVYLVCYOJIMNNJ-CGTJXYLNSA-N 2 2 363.506 0.825 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC)C1 ZINC001070516747 1219449422 /nfs/dbraw/zinc/44/94/22/1219449422.db2.gz LVYLVCYOJIMNNJ-CGTJXYLNSA-N 2 2 363.506 0.825 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccon1 ZINC001070629709 1219494326 /nfs/dbraw/zinc/49/43/26/1219494326.db2.gz SEQGQLZRIZMAQF-BZUAXINKSA-N 2 2 358.446 0.587 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccon1 ZINC001070629709 1219494328 /nfs/dbraw/zinc/49/43/28/1219494328.db2.gz SEQGQLZRIZMAQF-BZUAXINKSA-N 2 2 358.446 0.587 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2c2cncn2C)cn1 ZINC001070695132 1219529650 /nfs/dbraw/zinc/52/96/50/1219529650.db2.gz PXSQYOUANYSTCS-HZPDHXFCSA-N 2 2 368.445 0.204 20 0 FCADLP CC(C)=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001070972864 1219586416 /nfs/dbraw/zinc/58/64/16/1219586416.db2.gz PSCYUEYSCSXMDF-IAGOWNOFSA-N 2 2 366.506 0.322 20 0 FCADLP CC(C)=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001070972864 1219586421 /nfs/dbraw/zinc/58/64/21/1219586421.db2.gz PSCYUEYSCSXMDF-IAGOWNOFSA-N 2 2 366.506 0.322 20 0 FCADLP CC(C)=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972864 1219586424 /nfs/dbraw/zinc/58/64/24/1219586424.db2.gz PSCYUEYSCSXMDF-IAGOWNOFSA-N 2 2 366.506 0.322 20 0 FCADLP CC(C)=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001070972864 1219586430 /nfs/dbraw/zinc/58/64/30/1219586430.db2.gz PSCYUEYSCSXMDF-IAGOWNOFSA-N 2 2 366.506 0.322 20 0 FCADLP O=C(c1cccc2[nH+]ccn21)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071072031 1219600212 /nfs/dbraw/zinc/60/02/12/1219600212.db2.gz MJUULAFZXYEPMZ-QAPCUYQASA-N 2 2 358.442 0.926 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072994455 1219629685 /nfs/dbraw/zinc/62/96/85/1219629685.db2.gz BMSXAXQMFWJKRU-HZPDHXFCSA-N 2 2 354.458 0.955 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072994455 1219629687 /nfs/dbraw/zinc/62/96/87/1219629687.db2.gz BMSXAXQMFWJKRU-HZPDHXFCSA-N 2 2 354.458 0.955 20 0 FCADLP Cn1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C3)C2)cn1 ZINC001072994773 1219630647 /nfs/dbraw/zinc/63/06/47/1219630647.db2.gz REPKYOLCLKQENF-HZPDHXFCSA-N 2 2 354.458 0.992 20 0 FCADLP Cn1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C3)C2)cn1 ZINC001072994773 1219630648 /nfs/dbraw/zinc/63/06/48/1219630648.db2.gz REPKYOLCLKQENF-HZPDHXFCSA-N 2 2 354.458 0.992 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001073605883 1219671599 /nfs/dbraw/zinc/67/15/99/1219671599.db2.gz XXFORAXCSJWKAG-BRWVUGGUSA-N 2 2 362.474 0.353 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073605883 1219671602 /nfs/dbraw/zinc/67/16/02/1219671602.db2.gz XXFORAXCSJWKAG-BRWVUGGUSA-N 2 2 362.474 0.353 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)[nH]1 ZINC001074710913 1219717744 /nfs/dbraw/zinc/71/77/44/1219717744.db2.gz LEOSQSZZQVKCAI-CBBWQLFWSA-N 2 2 364.494 0.726 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)[nH]1 ZINC001074710913 1219717747 /nfs/dbraw/zinc/71/77/47/1219717747.db2.gz LEOSQSZZQVKCAI-CBBWQLFWSA-N 2 2 364.494 0.726 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)nn1 ZINC001098405570 1219775091 /nfs/dbraw/zinc/77/50/91/1219775091.db2.gz FFOMCUXHBJRGPO-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)nn1 ZINC001098405570 1219775092 /nfs/dbraw/zinc/77/50/92/1219775092.db2.gz FFOMCUXHBJRGPO-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544309 1219804732 /nfs/dbraw/zinc/80/47/32/1219804732.db2.gz CVVQMGYOZUIABT-IKGGRYGDSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544309 1219804735 /nfs/dbraw/zinc/80/47/35/1219804735.db2.gz CVVQMGYOZUIABT-IKGGRYGDSA-N 2 2 367.490 0.535 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1)N1CCC1 ZINC001098875685 1219847403 /nfs/dbraw/zinc/84/74/03/1219847403.db2.gz TZBBXOAWLVPUBA-YRNRMSPPSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1)N1CCC1 ZINC001098875685 1219847407 /nfs/dbraw/zinc/84/74/07/1219847407.db2.gz TZBBXOAWLVPUBA-YRNRMSPPSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@H]1CCc2[nH+]ccn2C1 ZINC001098909912 1219859638 /nfs/dbraw/zinc/85/96/38/1219859638.db2.gz FNEOWCAVQKKQSN-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@H]1CCc2[nH+]ccn2C1 ZINC001098909912 1219859640 /nfs/dbraw/zinc/85/96/40/1219859640.db2.gz FNEOWCAVQKKQSN-BXWFABGCSA-N 2 2 369.473 0.708 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C1CC1)C2 ZINC001098946146 1219871806 /nfs/dbraw/zinc/87/18/06/1219871806.db2.gz FBRNSNPNNAKUFB-KXBFYZLASA-N 2 2 359.474 0.783 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C1CC1)C2 ZINC001098946146 1219871809 /nfs/dbraw/zinc/87/18/09/1219871809.db2.gz FBRNSNPNNAKUFB-KXBFYZLASA-N 2 2 359.474 0.783 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001111465114 1219898496 /nfs/dbraw/zinc/89/84/96/1219898496.db2.gz DVLMZUFGUVNINS-KURKYZTESA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001111465114 1219898497 /nfs/dbraw/zinc/89/84/97/1219898497.db2.gz DVLMZUFGUVNINS-KURKYZTESA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001111465114 1219898500 /nfs/dbraw/zinc/89/85/00/1219898500.db2.gz DVLMZUFGUVNINS-KURKYZTESA-N 2 2 373.501 0.760 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001111465114 1219898503 /nfs/dbraw/zinc/89/85/03/1219898503.db2.gz DVLMZUFGUVNINS-KURKYZTESA-N 2 2 373.501 0.760 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001099121339 1219921815 /nfs/dbraw/zinc/92/18/15/1219921815.db2.gz WMIZMJXRYSUCLK-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001099121339 1219921819 /nfs/dbraw/zinc/92/18/19/1219921819.db2.gz WMIZMJXRYSUCLK-GMBSWORKSA-N 2 2 359.474 0.554 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001099137944 1219925761 /nfs/dbraw/zinc/92/57/61/1219925761.db2.gz KPAFCYKXTZZUHW-KXBFYZLASA-N 2 2 359.474 0.854 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001099137944 1219925762 /nfs/dbraw/zinc/92/57/62/1219925762.db2.gz KPAFCYKXTZZUHW-KXBFYZLASA-N 2 2 359.474 0.854 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001099137866 1219925819 /nfs/dbraw/zinc/92/58/19/1219925819.db2.gz GOJXGQONXCBITN-WRSAYESZSA-N 2 2 359.430 0.037 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001099137866 1219925822 /nfs/dbraw/zinc/92/58/22/1219925822.db2.gz GOJXGQONXCBITN-WRSAYESZSA-N 2 2 359.430 0.037 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001099183597 1219943374 /nfs/dbraw/zinc/94/33/74/1219943374.db2.gz JCPYVXNXQYTMQR-GJYPPUQNSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001099183597 1219943378 /nfs/dbraw/zinc/94/33/78/1219943378.db2.gz JCPYVXNXQYTMQR-GJYPPUQNSA-N 2 2 359.474 0.770 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099274164 1219960210 /nfs/dbraw/zinc/96/02/10/1219960210.db2.gz AHHMAVULUVOHNA-OASPWFOLSA-N 2 2 369.347 0.801 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)C1=O ZINC001099505240 1220016400 /nfs/dbraw/zinc/01/64/00/1220016400.db2.gz FLKOGUNQUVAGIO-GMBSWORKSA-N 2 2 359.474 0.791 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001099526821 1220024191 /nfs/dbraw/zinc/02/41/91/1220024191.db2.gz SXVBYWNOAJPOMI-GMBSWORKSA-N 2 2 359.474 0.460 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001099531800 1220025028 /nfs/dbraw/zinc/02/50/28/1220025028.db2.gz MUFXRXJXSMVROX-DOXZYTNZSA-N 2 2 359.474 0.710 20 0 FCADLP Cn1cnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001099533222 1220025164 /nfs/dbraw/zinc/02/51/64/1220025164.db2.gz OVPAVYJURSLQRZ-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001099533161 1220025731 /nfs/dbraw/zinc/02/57/31/1220025731.db2.gz MHDOMKFQULWIJI-QOKNQOGYSA-N 2 2 359.474 0.460 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ncnc2c1C[NH+](C)CC2 ZINC001100742871 1220153964 /nfs/dbraw/zinc/15/39/64/1220153964.db2.gz SPCHGXXRDORAQX-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ncnc2c1C[NH+](C)CC2 ZINC001100742871 1220153967 /nfs/dbraw/zinc/15/39/67/1220153967.db2.gz SPCHGXXRDORAQX-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ncnc2c1C[N@H+](C)CC2 ZINC001100742871 1220153970 /nfs/dbraw/zinc/15/39/70/1220153970.db2.gz SPCHGXXRDORAQX-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001100742871 1220153972 /nfs/dbraw/zinc/15/39/72/1220153972.db2.gz SPCHGXXRDORAQX-HUUCEWRRSA-N 2 2 360.506 0.747 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101275837 1220261504 /nfs/dbraw/zinc/26/15/04/1220261504.db2.gz YIFPJSAOYDKLRP-GJYPPUQNSA-N 2 2 361.490 0.997 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101275837 1220261508 /nfs/dbraw/zinc/26/15/08/1220261508.db2.gz YIFPJSAOYDKLRP-GJYPPUQNSA-N 2 2 361.490 0.997 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281481 1220266231 /nfs/dbraw/zinc/26/62/31/1220266231.db2.gz PWUMEMZATCYAMS-CLCXKQKWSA-N 2 2 359.474 0.362 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281481 1220266236 /nfs/dbraw/zinc/26/62/36/1220266236.db2.gz PWUMEMZATCYAMS-CLCXKQKWSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101283222 1220266962 /nfs/dbraw/zinc/26/69/62/1220266962.db2.gz XVPQVBWJSPWJOG-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101283222 1220266963 /nfs/dbraw/zinc/26/69/63/1220266963.db2.gz XVPQVBWJSPWJOG-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001101317434 1220284923 /nfs/dbraw/zinc/28/49/23/1220284923.db2.gz ZYTZQUAQRITGHM-APWZRJJASA-N 2 2 359.474 0.580 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001101317434 1220284926 /nfs/dbraw/zinc/28/49/26/1220284926.db2.gz ZYTZQUAQRITGHM-APWZRJJASA-N 2 2 359.474 0.580 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317269 1220285138 /nfs/dbraw/zinc/28/51/38/1220285138.db2.gz RNRKUQYGQCDNEP-APWZRJJASA-N 2 2 361.490 0.922 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317269 1220285143 /nfs/dbraw/zinc/28/51/43/1220285143.db2.gz RNRKUQYGQCDNEP-APWZRJJASA-N 2 2 361.490 0.922 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCCO[C@H]1CCOC1)C2 ZINC001101403695 1220325426 /nfs/dbraw/zinc/32/54/26/1220325426.db2.gz QLKHPNJTEVYNBY-GJYPPUQNSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCCO[C@H]1CCOC1)C2 ZINC001101403695 1220325432 /nfs/dbraw/zinc/32/54/32/1220325432.db2.gz QLKHPNJTEVYNBY-GJYPPUQNSA-N 2 2 362.474 0.928 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430226 1220339743 /nfs/dbraw/zinc/33/97/43/1220339743.db2.gz VBMMPETVOKEZGQ-ALKREAHSSA-N 2 2 361.490 0.787 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430226 1220339746 /nfs/dbraw/zinc/33/97/46/1220339746.db2.gz VBMMPETVOKEZGQ-ALKREAHSSA-N 2 2 361.490 0.787 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101438590 1220345924 /nfs/dbraw/zinc/34/59/24/1220345924.db2.gz HYMFVXMSVAXIPR-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101438590 1220345928 /nfs/dbraw/zinc/34/59/28/1220345928.db2.gz HYMFVXMSVAXIPR-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101438590 1220345931 /nfs/dbraw/zinc/34/59/31/1220345931.db2.gz HYMFVXMSVAXIPR-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101438590 1220345934 /nfs/dbraw/zinc/34/59/34/1220345934.db2.gz HYMFVXMSVAXIPR-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101445909 1220349240 /nfs/dbraw/zinc/34/92/40/1220349240.db2.gz KCTQXSGZMZDAAT-KHYOSLBOSA-N 2 2 361.490 0.956 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101445909 1220349245 /nfs/dbraw/zinc/34/92/45/1220349245.db2.gz KCTQXSGZMZDAAT-KHYOSLBOSA-N 2 2 361.490 0.956 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101477126 1220367494 /nfs/dbraw/zinc/36/74/94/1220367494.db2.gz DJZXYAOWUNCDQU-KDOFPFPSSA-N 2 2 364.494 0.756 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101477126 1220367497 /nfs/dbraw/zinc/36/74/97/1220367497.db2.gz DJZXYAOWUNCDQU-KDOFPFPSSA-N 2 2 364.494 0.756 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101477126 1220367500 /nfs/dbraw/zinc/36/75/00/1220367500.db2.gz DJZXYAOWUNCDQU-KDOFPFPSSA-N 2 2 364.494 0.756 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101477126 1220367504 /nfs/dbraw/zinc/36/75/04/1220367504.db2.gz DJZXYAOWUNCDQU-KDOFPFPSSA-N 2 2 364.494 0.756 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488162 1220373097 /nfs/dbraw/zinc/37/30/97/1220373097.db2.gz PJYUCMCQQKKBGU-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488162 1220373102 /nfs/dbraw/zinc/37/31/02/1220373102.db2.gz PJYUCMCQQKKBGU-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030813 1220470255 /nfs/dbraw/zinc/47/02/55/1220470255.db2.gz FMEPZYKEFHADKX-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030813 1220470258 /nfs/dbraw/zinc/47/02/58/1220470258.db2.gz FMEPZYKEFHADKX-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102030813 1220470261 /nfs/dbraw/zinc/47/02/61/1220470261.db2.gz FMEPZYKEFHADKX-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102030813 1220470263 /nfs/dbraw/zinc/47/02/63/1220470263.db2.gz FMEPZYKEFHADKX-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045903 1220475686 /nfs/dbraw/zinc/47/56/86/1220475686.db2.gz BLECBEABKRNINU-HUUCEWRRSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045903 1220475688 /nfs/dbraw/zinc/47/56/88/1220475688.db2.gz BLECBEABKRNINU-HUUCEWRRSA-N 2 2 366.485 0.916 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047266 1220477206 /nfs/dbraw/zinc/47/72/06/1220477206.db2.gz AKWWPQFORFWDPS-UNEWFSDZSA-N 2 2 363.510 0.778 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047266 1220477209 /nfs/dbraw/zinc/47/72/09/1220477209.db2.gz AKWWPQFORFWDPS-UNEWFSDZSA-N 2 2 363.510 0.778 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104337 1220497259 /nfs/dbraw/zinc/49/72/59/1220497259.db2.gz PQTZQXQRHJQNSO-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104337 1220497261 /nfs/dbraw/zinc/49/72/61/1220497261.db2.gz PQTZQXQRHJQNSO-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370253 1220594972 /nfs/dbraw/zinc/59/49/72/1220594972.db2.gz VKPDMVUJFJAYJJ-ARFHVFGLSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370253 1220594978 /nfs/dbraw/zinc/59/49/78/1220594978.db2.gz VKPDMVUJFJAYJJ-ARFHVFGLSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370253 1220594988 /nfs/dbraw/zinc/59/49/88/1220594988.db2.gz VKPDMVUJFJAYJJ-ARFHVFGLSA-N 2 2 363.510 0.780 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370253 1220594993 /nfs/dbraw/zinc/59/49/93/1220594993.db2.gz VKPDMVUJFJAYJJ-ARFHVFGLSA-N 2 2 363.510 0.780 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368547 1220595245 /nfs/dbraw/zinc/59/52/45/1220595245.db2.gz ZMJPZXMWVXISKH-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368547 1220595253 /nfs/dbraw/zinc/59/52/53/1220595253.db2.gz ZMJPZXMWVXISKH-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368547 1220595260 /nfs/dbraw/zinc/59/52/60/1220595260.db2.gz ZMJPZXMWVXISKH-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368547 1220595267 /nfs/dbraw/zinc/59/52/67/1220595267.db2.gz ZMJPZXMWVXISKH-OWCLPIDISA-N 2 2 363.510 0.752 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102370236 1220596637 /nfs/dbraw/zinc/59/66/37/1220596637.db2.gz UXHLVGJAMCFGLC-RBSFLKMASA-N 2 2 365.478 0.742 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102370236 1220596643 /nfs/dbraw/zinc/59/66/43/1220596643.db2.gz UXHLVGJAMCFGLC-RBSFLKMASA-N 2 2 365.478 0.742 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102370236 1220596650 /nfs/dbraw/zinc/59/66/50/1220596650.db2.gz UXHLVGJAMCFGLC-RBSFLKMASA-N 2 2 365.478 0.742 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](C)C2)n1 ZINC001102370236 1220596658 /nfs/dbraw/zinc/59/66/58/1220596658.db2.gz UXHLVGJAMCFGLC-RBSFLKMASA-N 2 2 365.478 0.742 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102367031 1220597321 /nfs/dbraw/zinc/59/73/21/1220597321.db2.gz YYECQGCQJJUIDR-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102367031 1220597327 /nfs/dbraw/zinc/59/73/27/1220597327.db2.gz YYECQGCQJJUIDR-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001102367031 1220597330 /nfs/dbraw/zinc/59/73/30/1220597330.db2.gz YYECQGCQJJUIDR-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001102367031 1220597333 /nfs/dbraw/zinc/59/73/33/1220597333.db2.gz YYECQGCQJJUIDR-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408050 1220612270 /nfs/dbraw/zinc/61/22/70/1220612270.db2.gz WUTIRACSVRKHIX-CKEIUWERSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408050 1220612274 /nfs/dbraw/zinc/61/22/74/1220612274.db2.gz WUTIRACSVRKHIX-CKEIUWERSA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H](c1ncccn1)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468794 1220639427 /nfs/dbraw/zinc/63/94/27/1220639427.db2.gz ZZKXGRBIDDUANH-IXDOHACOSA-N 2 2 361.490 0.944 20 0 FCADLP C[C@@H](c1ncccn1)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468794 1220639428 /nfs/dbraw/zinc/63/94/28/1220639428.db2.gz ZZKXGRBIDDUANH-IXDOHACOSA-N 2 2 361.490 0.944 20 0 FCADLP Cc1noc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102469235 1220639754 /nfs/dbraw/zinc/63/97/54/1220639754.db2.gz XAZXDUFFGWWRMY-IIAWOOMASA-N 2 2 365.478 0.845 20 0 FCADLP Cc1noc([C@@H](C)[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102469235 1220639758 /nfs/dbraw/zinc/63/97/58/1220639758.db2.gz XAZXDUFFGWWRMY-IIAWOOMASA-N 2 2 365.478 0.845 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480415 1220647826 /nfs/dbraw/zinc/64/78/26/1220647826.db2.gz PGGCUFFGHLNNJL-HUUCEWRRSA-N 2 2 364.494 0.024 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001102480415 1220647833 /nfs/dbraw/zinc/64/78/33/1220647833.db2.gz PGGCUFFGHLNNJL-HUUCEWRRSA-N 2 2 364.494 0.024 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514802 1220674826 /nfs/dbraw/zinc/67/48/26/1220674826.db2.gz OLGLYFYSGUHRLK-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514802 1220674828 /nfs/dbraw/zinc/67/48/28/1220674828.db2.gz OLGLYFYSGUHRLK-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514802 1220674830 /nfs/dbraw/zinc/67/48/30/1220674830.db2.gz OLGLYFYSGUHRLK-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514802 1220674833 /nfs/dbraw/zinc/67/48/33/1220674833.db2.gz OLGLYFYSGUHRLK-OWCLPIDISA-N 2 2 363.510 0.609 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538472 1220687593 /nfs/dbraw/zinc/68/75/93/1220687593.db2.gz CBRRSIYTSYNWOM-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538472 1220687594 /nfs/dbraw/zinc/68/75/94/1220687594.db2.gz CBRRSIYTSYNWOM-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538540 1220687615 /nfs/dbraw/zinc/68/76/15/1220687615.db2.gz GDMXQEVAFJAOKE-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538540 1220687617 /nfs/dbraw/zinc/68/76/17/1220687617.db2.gz GDMXQEVAFJAOKE-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP 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CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034060 1221001029 /nfs/dbraw/zinc/00/10/29/1221001029.db2.gz QXZUVUVFMUWRBZ-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)nn1C ZINC001104034206 1221001549 /nfs/dbraw/zinc/00/15/49/1221001549.db2.gz XLYCNNTVSZBMPY-KYJSFNMBSA-N 2 2 363.506 0.633 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)nn1C ZINC001104034206 1221001553 /nfs/dbraw/zinc/00/15/53/1221001553.db2.gz XLYCNNTVSZBMPY-KYJSFNMBSA-N 2 2 363.506 0.633 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001111792602 1221111864 /nfs/dbraw/zinc/11/18/64/1221111864.db2.gz GLBHMBGNQSFMQI-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001111792602 1221111869 /nfs/dbraw/zinc/11/18/69/1221111869.db2.gz GLBHMBGNQSFMQI-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC001111815905 1221124309 /nfs/dbraw/zinc/12/43/09/1221124309.db2.gz DHWCZRNDROBUBH-DOXZYTNZSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001111815905 1221124312 /nfs/dbraw/zinc/12/43/12/1221124312.db2.gz DHWCZRNDROBUBH-DOXZYTNZSA-N 2 2 359.474 0.554 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001111824864 1221127558 /nfs/dbraw/zinc/12/75/58/1221127558.db2.gz ADZNFAUJTODPJB-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001111824864 1221127568 /nfs/dbraw/zinc/12/75/68/1221127568.db2.gz ADZNFAUJTODPJB-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000782613721 1221176467 /nfs/dbraw/zinc/17/64/67/1221176467.db2.gz BTEQPJCUZOIDKJ-AZUAARDMSA-N 2 2 359.470 0.449 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000782613721 1221176469 /nfs/dbraw/zinc/17/64/69/1221176469.db2.gz BTEQPJCUZOIDKJ-AZUAARDMSA-N 2 2 359.470 0.449 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001111984967 1221193508 /nfs/dbraw/zinc/19/35/08/1221193508.db2.gz XELILEVSNMTNES-KNBMTAEXSA-N 2 2 362.518 0.968 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001111984967 1221193510 /nfs/dbraw/zinc/19/35/10/1221193510.db2.gz XELILEVSNMTNES-KNBMTAEXSA-N 2 2 362.518 0.968 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021412 1221203091 /nfs/dbraw/zinc/20/30/91/1221203091.db2.gz MDIAAIYYVZDOGY-YJBOKZPZSA-N 2 2 357.462 0.963 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021412 1221203096 /nfs/dbraw/zinc/20/30/96/1221203096.db2.gz MDIAAIYYVZDOGY-YJBOKZPZSA-N 2 2 357.462 0.963 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(N(C)C)[nH+]1 ZINC000784395076 1221241697 /nfs/dbraw/zinc/24/16/97/1221241697.db2.gz XDLUIMSCPXKQMA-UHFFFAOYSA-N 3 2 364.494 0.346 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180348 1221305014 /nfs/dbraw/zinc/30/50/14/1221305014.db2.gz GNIFNDWFHBIACR-OAGGEKHMSA-N 2 2 373.457 0.549 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180348 1221305016 /nfs/dbraw/zinc/30/50/16/1221305016.db2.gz GNIFNDWFHBIACR-OAGGEKHMSA-N 2 2 373.457 0.549 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[NH+]1CC=CC1 ZINC001116289263 1221350751 /nfs/dbraw/zinc/35/07/51/1221350751.db2.gz OPQRLFMESYWGDT-UHFFFAOYSA-N 2 2 357.458 0.498 20 0 FCADLP C[C@H](CCN1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCN(CC(C)(C)O)CC1 ZINC001116326289 1221353611 /nfs/dbraw/zinc/35/36/11/1221353611.db2.gz PRIURZXKOANPLR-GOSISDBHSA-N 2 2 370.582 0.542 20 0 FCADLP C[C@H](CC[NH+]1CCN(CC(C)(C)O)CC1)N1CC[NH+](CC(C)(C)O)CC1 ZINC001116326289 1221353614 /nfs/dbraw/zinc/35/36/14/1221353614.db2.gz PRIURZXKOANPLR-GOSISDBHSA-N 2 2 370.582 0.542 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CC=CC2)cc1 ZINC001116713111 1221382530 /nfs/dbraw/zinc/38/25/30/1221382530.db2.gz UAEYZLFHOUQPMS-UHFFFAOYSA-N 2 2 359.430 0.113 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001116802617 1221391735 /nfs/dbraw/zinc/39/17/35/1221391735.db2.gz YQZCNOWFYJMIAM-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001116802617 1221391738 /nfs/dbraw/zinc/39/17/38/1221391738.db2.gz YQZCNOWFYJMIAM-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP CN(C(=O)C(=O)NCC1(C2CC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001117570111 1221573734 /nfs/dbraw/zinc/57/37/34/1221573734.db2.gz XIIUZXWPZIXGBL-KRWDZBQOSA-N 2 2 362.518 0.920 20 0 FCADLP CN(C(=O)C(=O)NCC1(C2CC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001117570111 1221573738 /nfs/dbraw/zinc/57/37/38/1221573738.db2.gz XIIUZXWPZIXGBL-KRWDZBQOSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC001117694681 1221610416 /nfs/dbraw/zinc/61/04/16/1221610416.db2.gz VBTHNGOPMYKPQB-MRXNPFEDSA-N 2 2 369.469 0.958 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1)c1cnn(C)c1 ZINC001118216988 1221735150 /nfs/dbraw/zinc/73/51/50/1221735150.db2.gz UPYHFWSIOZMVIC-LJQANCHMSA-N 2 2 370.501 0.744 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)c1cnn(C)c1 ZINC001118216988 1221735157 /nfs/dbraw/zinc/73/51/57/1221735157.db2.gz UPYHFWSIOZMVIC-LJQANCHMSA-N 2 2 370.501 0.744 20 0 FCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC001118266596 1221746927 /nfs/dbraw/zinc/74/69/27/1221746927.db2.gz LADGIOUGPGJQFQ-JXFKEZNVSA-N 2 2 371.485 0.885 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)C(=O)Nc1ncccn1 ZINC001230347964 1226075436 /nfs/dbraw/zinc/07/54/36/1226075436.db2.gz OZOZFDSVMWMQCF-RRFJBIMHSA-N 2 2 371.445 0.717 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001119362398 1221906660 /nfs/dbraw/zinc/90/66/60/1221906660.db2.gz KBKIZUMMISDKFF-MRXNPFEDSA-N 2 2 362.474 0.244 20 0 FCADLP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001119682678 1221950396 /nfs/dbraw/zinc/95/03/96/1221950396.db2.gz QTQHXARRPYKXSO-HOTGVXAUSA-N 2 2 365.478 0.117 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC(N)=O)Cc2cccnc2)CC[N@@H+]1C ZINC001230766677 1226086418 /nfs/dbraw/zinc/08/64/18/1226086418.db2.gz GRDUXNNRVCTGKC-DLBZAZTESA-N 2 2 361.490 0.606 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC(N)=O)Cc2cccnc2)CC[N@H+]1C ZINC001230766677 1226086424 /nfs/dbraw/zinc/08/64/24/1226086424.db2.gz GRDUXNNRVCTGKC-DLBZAZTESA-N 2 2 361.490 0.606 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC(N)=O)Cc2cccnc2)CC[NH+]1C ZINC001230766677 1226086429 /nfs/dbraw/zinc/08/64/29/1226086429.db2.gz GRDUXNNRVCTGKC-DLBZAZTESA-N 2 2 361.490 0.606 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC(N)=O)Cc2cccnc2)CC[NH+]1C ZINC001230766677 1226086437 /nfs/dbraw/zinc/08/64/37/1226086437.db2.gz GRDUXNNRVCTGKC-DLBZAZTESA-N 2 2 361.490 0.606 20 0 FCADLP C[C@H](C(N)=O)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767545 1226086906 /nfs/dbraw/zinc/08/69/06/1226086906.db2.gz WZKRIIMLSLUCES-BFYDXBDKSA-N 2 2 361.490 0.604 20 0 FCADLP C[C@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767545 1226086915 /nfs/dbraw/zinc/08/69/15/1226086915.db2.gz WZKRIIMLSLUCES-BFYDXBDKSA-N 2 2 361.490 0.604 20 0 FCADLP C[C@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767545 1226086919 /nfs/dbraw/zinc/08/69/19/1226086919.db2.gz WZKRIIMLSLUCES-BFYDXBDKSA-N 2 2 361.490 0.604 20 0 FCADLP C[C@H](C(N)=O)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccnc1 ZINC001230767545 1226086927 /nfs/dbraw/zinc/08/69/27/1226086927.db2.gz WZKRIIMLSLUCES-BFYDXBDKSA-N 2 2 361.490 0.604 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)CN1CC[NH+]1CCOCC1 ZINC001120582329 1222106760 /nfs/dbraw/zinc/10/67/60/1222106760.db2.gz HZQNKBZUTCDLPD-PBHICJAKSA-N 2 2 369.412 0.521 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122009541 1222233376 /nfs/dbraw/zinc/23/33/76/1222233376.db2.gz TUARIFJIALKFKF-LJQANCHMSA-N 2 2 359.518 0.344 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123506141 1222336519 /nfs/dbraw/zinc/33/65/19/1222336519.db2.gz VPEMAXGVQVMBHA-JQHSSLGASA-N 2 2 367.538 0.563 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001123506141 1222336522 /nfs/dbraw/zinc/33/65/22/1222336522.db2.gz VPEMAXGVQVMBHA-JQHSSLGASA-N 2 2 367.538 0.563 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123608287 1222343602 /nfs/dbraw/zinc/34/36/02/1222343602.db2.gz OECALNODOCIAMM-FGTMMUONSA-N 2 2 368.570 0.194 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123608287 1222343605 /nfs/dbraw/zinc/34/36/05/1222343605.db2.gz OECALNODOCIAMM-FGTMMUONSA-N 2 2 368.570 0.194 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3nnnn3C)CC2)CC1 ZINC001123670435 1222348706 /nfs/dbraw/zinc/34/87/06/1222348706.db2.gz CPXDBZRQHVSHSA-CQSZACIVSA-N 2 2 364.498 0.473 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3nnnn3C)CC2)CC1 ZINC001123670435 1222348708 /nfs/dbraw/zinc/34/87/08/1222348708.db2.gz CPXDBZRQHVSHSA-CQSZACIVSA-N 2 2 364.498 0.473 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231701045 1226118949 /nfs/dbraw/zinc/11/89/49/1226118949.db2.gz OKIVDQSMKQMNJZ-UHFFFAOYSA-N 2 2 374.445 0.692 20 0 FCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1c[nH]c(=O)[nH]c1=O)CCC2 ZINC001231701045 1226118956 /nfs/dbraw/zinc/11/89/56/1226118956.db2.gz OKIVDQSMKQMNJZ-UHFFFAOYSA-N 2 2 374.445 0.692 20 0 FCADLP [NH3+][C@@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CC1 ZINC000829500349 1222439160 /nfs/dbraw/zinc/43/91/60/1222439160.db2.gz KWTWAOIKZIBFHC-HOTGVXAUSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000829500349 1222439162 /nfs/dbraw/zinc/43/91/62/1222439162.db2.gz KWTWAOIKZIBFHC-HOTGVXAUSA-N 2 2 374.489 0.526 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000830548890 1222476485 /nfs/dbraw/zinc/47/64/85/1222476485.db2.gz IFAAQZATFUMUNO-SFHVURJKSA-N 2 2 373.501 0.706 20 0 FCADLP CN(C(=O)C(=O)Nc1cccnc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000832373426 1222529031 /nfs/dbraw/zinc/52/90/31/1222529031.db2.gz UZODDJQRNZPFEO-CQSZACIVSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1cccnc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000832373426 1222529032 /nfs/dbraw/zinc/52/90/32/1222529032.db2.gz UZODDJQRNZPFEO-CQSZACIVSA-N 2 2 363.437 0.786 20 0 FCADLP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359650 1222548072 /nfs/dbraw/zinc/54/80/72/1222548072.db2.gz IEPYXXRNUOQPTB-LJQANCHMSA-N 2 2 353.426 0.795 20 0 FCADLP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359650 1222548076 /nfs/dbraw/zinc/54/80/76/1222548076.db2.gz IEPYXXRNUOQPTB-LJQANCHMSA-N 2 2 353.426 0.795 20 0 FCADLP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cncc(O)c1)CC2 ZINC001232040989 1226138756 /nfs/dbraw/zinc/13/87/56/1226138756.db2.gz BRRTZORYMHYVPO-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cncc(O)c3)CC2)C1=O ZINC001232040989 1226138760 /nfs/dbraw/zinc/13/87/60/1226138760.db2.gz BRRTZORYMHYVPO-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cncc(O)c3)CC2)C1=O ZINC001232040989 1226138764 /nfs/dbraw/zinc/13/87/64/1226138764.db2.gz BRRTZORYMHYVPO-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP Cc1nccnc1C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001140937564 1222623247 /nfs/dbraw/zinc/62/32/47/1222623247.db2.gz NJVLVBIDOFMVPU-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP Cc1nccnc1C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001140937564 1222623252 /nfs/dbraw/zinc/62/32/52/1222623252.db2.gz NJVLVBIDOFMVPU-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000838932317 1222695120 /nfs/dbraw/zinc/69/51/20/1222695120.db2.gz PGPJMADQJJHUOL-OAHLLOKOSA-N 2 2 372.477 0.683 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4ncc(O)cn4)CC3)cn2)CC1 ZINC001232363715 1226148554 /nfs/dbraw/zinc/14/85/54/1226148554.db2.gz NXCOKKCCCTZNFS-UHFFFAOYSA-N 2 2 369.473 0.651 20 0 FCADLP COC(=O)[C@@H]1CN(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C(=O)O1 ZINC000840040180 1222767077 /nfs/dbraw/zinc/76/70/77/1222767077.db2.gz FBLMEBODKXFCFQ-INIZCTEOSA-N 2 2 369.462 0.762 20 0 FCADLP [NH3+]CCOc1cccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000841017721 1222804932 /nfs/dbraw/zinc/80/49/32/1222804932.db2.gz ZEQDYSZRPCIWQT-UHFFFAOYSA-N 2 2 357.414 0.976 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000842195332 1222840148 /nfs/dbraw/zinc/84/01/48/1222840148.db2.gz MTUNPLIGRNUZDK-MRXNPFEDSA-N 2 2 373.501 0.706 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nc(-c4cnccn4)no3)CC2)CC1 ZINC001142767596 1222849449 /nfs/dbraw/zinc/84/94/49/1222849449.db2.gz NZKWAVNRRNLMHA-UHFFFAOYSA-N 2 2 371.445 0.815 20 0 FCADLP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000843265399 1222868478 /nfs/dbraw/zinc/86/84/78/1222868478.db2.gz GAJNBRPWJXSISC-QGZVFWFLSA-N 3 2 367.538 0.249 20 0 FCADLP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000843265399 1222868480 /nfs/dbraw/zinc/86/84/80/1222868480.db2.gz GAJNBRPWJXSISC-QGZVFWFLSA-N 3 2 367.538 0.249 20 0 FCADLP C[C@H]1CCC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1C[NH3+] ZINC000843353886 1222872044 /nfs/dbraw/zinc/87/20/44/1222872044.db2.gz QBSQNIMPCZONNR-KBPBESRZSA-N 2 2 365.478 0.722 20 0 FCADLP C[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1C[NH3+] ZINC000843353886 1222872046 /nfs/dbraw/zinc/87/20/46/1222872046.db2.gz QBSQNIMPCZONNR-KBPBESRZSA-N 2 2 365.478 0.722 20 0 FCADLP CC[N@H+](CC(=O)NC(C)(C)CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998271 1222999071 /nfs/dbraw/zinc/99/90/71/1222999071.db2.gz LQTZLHPXSGASCM-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[N@@H+](CC(=O)NC(C)(C)CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998271 1222999075 /nfs/dbraw/zinc/99/90/75/1222999075.db2.gz LQTZLHPXSGASCM-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](CC(=O)NC(C)(C)CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998271 1222999078 /nfs/dbraw/zinc/99/90/78/1222999078.db2.gz LQTZLHPXSGASCM-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020241 1222999136 /nfs/dbraw/zinc/99/91/36/1222999136.db2.gz CSZMWNMBHBEUGQ-BFYDXBDKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020241 1222999143 /nfs/dbraw/zinc/99/91/43/1222999143.db2.gz CSZMWNMBHBEUGQ-BFYDXBDKSA-N 2 2 370.538 0.837 20 0 FCADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC([C@@H]([NH3+])C(=O)OC)CC3)c12 ZINC001155154378 1223027488 /nfs/dbraw/zinc/02/74/88/1223027488.db2.gz WHCVHGPFOCLWCF-CYBMUJFWSA-N 2 2 361.402 0.851 20 0 FCADLP CC[N@H+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321715 1223033352 /nfs/dbraw/zinc/03/33/52/1223033352.db2.gz WRWMGXOFOWXJKC-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321715 1223033355 /nfs/dbraw/zinc/03/33/55/1223033355.db2.gz WRWMGXOFOWXJKC-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc3[nH+]c(N)[nH]c3c1)CC2 ZINC001156970431 1223064081 /nfs/dbraw/zinc/06/40/81/1223064081.db2.gz BGYCAXHENHBPQO-UHFFFAOYSA-N 2 2 370.457 0.962 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc3[nH+]c(N)[nH]c3c1)CC2 ZINC001156970431 1223064085 /nfs/dbraw/zinc/06/40/85/1223064085.db2.gz BGYCAXHENHBPQO-UHFFFAOYSA-N 2 2 370.457 0.962 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001158007231 1223086413 /nfs/dbraw/zinc/08/64/13/1223086413.db2.gz RVZFGEARIXJGKL-KRWDZBQOSA-N 2 2 360.458 0.069 20 0 FCADLP COc1cc(N2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)cc[nH+]1 ZINC001158099667 1223088848 /nfs/dbraw/zinc/08/88/48/1223088848.db2.gz QJESFEAYJDCNGZ-UHFFFAOYSA-N 2 2 355.446 0.616 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nn2)C1 ZINC001158209607 1223091067 /nfs/dbraw/zinc/09/10/67/1223091067.db2.gz ZSQBNMCTFFLXEO-ZIAGYGMSSA-N 2 2 374.445 0.304 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001158249832 1223091491 /nfs/dbraw/zinc/09/14/91/1223091491.db2.gz PHEJORPIFQVXSE-HZPDHXFCSA-N 2 2 359.474 0.482 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001158260633 1223092245 /nfs/dbraw/zinc/09/22/45/1223092245.db2.gz GNNVLXSOXTXMRF-HNNXBMFYSA-N 3 2 358.490 0.129 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ncccc3C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC001158260633 1223092249 /nfs/dbraw/zinc/09/22/49/1223092249.db2.gz GNNVLXSOXTXMRF-HNNXBMFYSA-N 3 2 358.490 0.129 20 0 FCADLP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C3([NH3+])CC[NH2+]CC3)CC2)CC1 ZINC001158512984 1223100863 /nfs/dbraw/zinc/10/08/63/1223100863.db2.gz FCRJZHQPOVHQEH-UHFFFAOYSA-N 3 2 366.506 0.333 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158629070 1223102751 /nfs/dbraw/zinc/10/27/51/1223102751.db2.gz BMOIYBHAOXPNIM-FZKCQIBNSA-N 2 2 368.522 0.671 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158629070 1223102755 /nfs/dbraw/zinc/10/27/55/1223102755.db2.gz BMOIYBHAOXPNIM-FZKCQIBNSA-N 2 2 368.522 0.671 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158672288 1223104902 /nfs/dbraw/zinc/10/49/02/1223104902.db2.gz PJGRDDBQWMRHCV-WNRNVDISSA-N 2 2 371.441 0.650 20 0 FCADLP O=C(N1CCC2(CCCN2c2ncccn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158758986 1223107259 /nfs/dbraw/zinc/10/72/59/1223107259.db2.gz GPGCMVITRSDRJC-DNVCBOLYSA-N 2 2 356.474 0.390 20 0 FCADLP Cn1ncc2c1CN(C(=O)C1([NH3+])CC[NH2+]CC1)C[C@H]2COc1cccnc1 ZINC001158843788 1223110877 /nfs/dbraw/zinc/11/08/77/1223110877.db2.gz WZQAZLXJIQFVRS-AWEZNQCLSA-N 2 2 370.457 0.401 20 0 FCADLP Cn1ncc2c1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C[C@@H]2COc1cccnc1 ZINC001158855515 1223111421 /nfs/dbraw/zinc/11/14/21/1223111421.db2.gz GRPUVRQDENQNGA-WWGRRREGSA-N 2 2 356.430 0.009 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC3)cn1 ZINC001158982733 1223114400 /nfs/dbraw/zinc/11/44/00/1223114400.db2.gz LDEPGCMRBDWOQN-BBRMVZONSA-N 2 2 358.446 0.578 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)C1 ZINC001159030766 1223115668 /nfs/dbraw/zinc/11/56/68/1223115668.db2.gz VBLLGTQDJPTHOV-ZBFHGGJFSA-N 2 2 357.458 0.112 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001159076243 1223116629 /nfs/dbraw/zinc/11/66/29/1223116629.db2.gz HIYMNMOZSVPHQG-YJBOKZPZSA-N 2 2 365.474 0.241 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C1 ZINC001159145319 1223119280 /nfs/dbraw/zinc/11/92/80/1223119280.db2.gz CUDTXYYIOQQLBB-CYJAXWMASA-N 2 2 360.458 0.547 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001159248538 1223121701 /nfs/dbraw/zinc/12/17/01/1223121701.db2.gz UXNSWCWALHJGRL-IXDOHACOSA-N 2 2 368.441 0.385 20 0 FCADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC001159261723 1223122270 /nfs/dbraw/zinc/12/22/70/1223122270.db2.gz QISYLJZVHGTLCI-UHFFFAOYSA-N 3 2 354.462 0.952 20 0 FCADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159284132 1223123289 /nfs/dbraw/zinc/12/32/89/1223123289.db2.gz WDNHUNHNBFMMRI-XYPHTWIQSA-N 2 2 357.414 0.038 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159472576 1223127810 /nfs/dbraw/zinc/12/78/10/1223127810.db2.gz WHRCQDKOFZNPFL-HNBVOPMISA-N 3 2 362.518 0.145 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159472576 1223127811 /nfs/dbraw/zinc/12/78/11/1223127811.db2.gz WHRCQDKOFZNPFL-HNBVOPMISA-N 3 2 362.518 0.145 20 0 FCADLP O=C(N1Cc2nccn2C[C@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159585241 1223130394 /nfs/dbraw/zinc/13/03/94/1223130394.db2.gz NNNXYIMTPYRPAW-FCEWJHQRSA-N 2 2 359.474 0.220 20 0 FCADLP O=C(N1Cc2nccn2C[C@H](COCC2CC2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159585243 1223130447 /nfs/dbraw/zinc/13/04/47/1223130447.db2.gz NNNXYIMTPYRPAW-TXPKVOOTSA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159608180 1223131447 /nfs/dbraw/zinc/13/14/47/1223131447.db2.gz GJOAKUFOYFZCJM-OCCSQVGLSA-N 2 2 362.478 0.375 20 0 FCADLP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159696016 1223133822 /nfs/dbraw/zinc/13/38/22/1223133822.db2.gz HLRRLEMCKGRILF-ZXYWRSMDSA-N 2 2 359.474 0.664 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001159697190 1223134389 /nfs/dbraw/zinc/13/43/89/1223134389.db2.gz HMSLKHJJKSIFBQ-SJUNHDGSSA-N 2 2 372.469 0.416 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001159701824 1223134709 /nfs/dbraw/zinc/13/47/09/1223134709.db2.gz ZXFHZKNKBILROV-IAGOWNOFSA-N 2 2 367.453 0.802 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)CC[NH2+]CC1 ZINC001159819218 1223137006 /nfs/dbraw/zinc/13/70/06/1223137006.db2.gz WMGCKGJXMSVREZ-AWEZNQCLSA-N 2 2 364.490 0.134 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)C1 ZINC001159965293 1223140793 /nfs/dbraw/zinc/14/07/93/1223140793.db2.gz BFUCYROHYYVBMQ-RMJJICAUSA-N 2 2 374.485 0.685 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001159969986 1223141337 /nfs/dbraw/zinc/14/13/37/1223141337.db2.gz WYBLZVBHXKMNGM-GNBUJSLZSA-N 2 2 374.485 0.543 20 0 FCADLP Cc1ccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054321 1223143566 /nfs/dbraw/zinc/14/35/66/1223143566.db2.gz ZMEDMACIVFJGSM-MAUKXSAKSA-N 3 2 374.489 0.110 20 0 FCADLP Cc1ccc(N2C[C@]3(CCN(C(=O)[C@@H]4C[C@H]5C[NH2+]C[C@H]5[NH2+]4)C3)CC2=O)s1 ZINC001160093383 1223145334 /nfs/dbraw/zinc/14/53/34/1223145334.db2.gz FKJMESISMXSEOH-XTDOFWJNSA-N 2 2 374.510 0.962 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)CC[NH2+]CC1 ZINC001160111087 1223146150 /nfs/dbraw/zinc/14/61/50/1223146150.db2.gz RWHMQPKXPLDIRM-OAHLLOKOSA-N 2 2 357.458 0.127 20 0 FCADLP CC(C)CN1c2ccccc2[C@]2(CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C2)C1=O ZINC001160286232 1223153376 /nfs/dbraw/zinc/15/33/76/1223153376.db2.gz NJDOBJHIMNCVRE-DKICVRJWSA-N 2 2 356.470 0.849 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)Nc1ncccn1 ZINC001160327411 1223154958 /nfs/dbraw/zinc/15/49/58/1223154958.db2.gz YNIRJMLLNFMHPF-JHJVBQTASA-N 2 2 357.418 0.426 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)Nc1ncccn1 ZINC001160327411 1223154961 /nfs/dbraw/zinc/15/49/61/1223154961.db2.gz YNIRJMLLNFMHPF-JHJVBQTASA-N 2 2 357.418 0.426 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336782 1223155612 /nfs/dbraw/zinc/15/56/12/1223155612.db2.gz MBRGJKFEPWUDLH-FVQBIDKESA-N 2 2 366.462 0.166 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336782 1223155614 /nfs/dbraw/zinc/15/56/14/1223155614.db2.gz MBRGJKFEPWUDLH-FVQBIDKESA-N 2 2 366.462 0.166 20 0 FCADLP O=C(N1CCC2(CC1)C(=O)Nc1c2cccc1F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160422155 1223159293 /nfs/dbraw/zinc/15/92/93/1223159293.db2.gz VGAXXVUYEIMASY-HXPMCKFVSA-N 2 2 358.417 0.590 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001160444406 1223159684 /nfs/dbraw/zinc/15/96/84/1223159684.db2.gz VXQFNAAYRPVATK-BHYGNILZSA-N 2 2 354.454 0.517 20 0 FCADLP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160434818 1223159986 /nfs/dbraw/zinc/15/99/86/1223159986.db2.gz HOFBYRSJFGDLML-BEFAXECRSA-N 2 2 368.441 0.789 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cncn3C)CC2)O1 ZINC001160478883 1223162093 /nfs/dbraw/zinc/16/20/93/1223162093.db2.gz CENVBKFJAGPCSN-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3cncn3C)CC2)O1 ZINC001160478883 1223162094 /nfs/dbraw/zinc/16/20/94/1223162094.db2.gz CENVBKFJAGPCSN-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](Cc3cncn3C)CC2)O1 ZINC001160478883 1223162097 /nfs/dbraw/zinc/16/20/97/1223162097.db2.gz CENVBKFJAGPCSN-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](Cc3cncn3C)CC2)O1 ZINC001160478883 1223162099 /nfs/dbraw/zinc/16/20/99/1223162099.db2.gz CENVBKFJAGPCSN-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490634 1223162683 /nfs/dbraw/zinc/16/26/83/1223162683.db2.gz VLSIRVSRNJSHRY-SFHVURJKSA-N 3 2 357.502 0.643 20 0 FCADLP O=C(N1CCC(n2c(=O)oc3ccccc32)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160556062 1223165028 /nfs/dbraw/zinc/16/50/28/1223165028.db2.gz KUMCXQCFRXEAJA-DJJJIMSYSA-N 2 2 356.426 0.710 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC001160568758 1223165041 /nfs/dbraw/zinc/16/50/41/1223165041.db2.gz GVRVFOBQMISLOM-UHFFFAOYSA-N 2 2 360.458 0.023 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661214 1223168196 /nfs/dbraw/zinc/16/81/96/1223168196.db2.gz NRWBALLLESXKSU-SCTDSRPQSA-N 2 2 369.465 0.667 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661214 1223168198 /nfs/dbraw/zinc/16/81/98/1223168198.db2.gz NRWBALLLESXKSU-SCTDSRPQSA-N 2 2 369.465 0.667 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(-c3ccco3)no2)O1 ZINC001160862284 1223179189 /nfs/dbraw/zinc/17/91/89/1223179189.db2.gz KZTMECSIOKKHJM-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(-c3ccco3)no2)O1 ZINC001160862284 1223179192 /nfs/dbraw/zinc/17/91/92/1223179192.db2.gz KZTMECSIOKKHJM-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904454 1223180165 /nfs/dbraw/zinc/18/01/65/1223180165.db2.gz GJYAZLGVERONRY-ZWKOTPCHSA-N 3 2 358.486 0.327 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001161137932 1223186514 /nfs/dbraw/zinc/18/65/14/1223186514.db2.gz IJPRPVRFWCAOMI-KXBFYZLASA-N 2 2 363.458 0.837 20 0 FCADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161145663 1223187025 /nfs/dbraw/zinc/18/70/25/1223187025.db2.gz GUAAZGXTQFLWIM-IMBTUZDBSA-N 2 2 357.454 0.728 20 0 FCADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161145663 1223187026 /nfs/dbraw/zinc/18/70/26/1223187026.db2.gz GUAAZGXTQFLWIM-IMBTUZDBSA-N 2 2 357.454 0.728 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)C1 ZINC001161138324 1223187185 /nfs/dbraw/zinc/18/71/85/1223187185.db2.gz RUVHTBPCLKKKRB-DNVCBOLYSA-N 2 2 359.426 0.172 20 0 FCADLP O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001161245427 1223191669 /nfs/dbraw/zinc/19/16/69/1223191669.db2.gz DSVYOYKXEVCEBZ-RRQGHBQHSA-N 2 2 357.458 0.749 20 0 FCADLP CCn1c2ccccc2nc1N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161297212 1223194284 /nfs/dbraw/zinc/19/42/84/1223194284.db2.gz SZDYBBHGHLCKDV-YWZLYKJASA-N 2 2 368.485 0.656 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001161360037 1223196709 /nfs/dbraw/zinc/19/67/09/1223196709.db2.gz SSSFMTCFEAVQMH-UOVPBQLFSA-N 2 2 369.469 0.975 20 0 FCADLP O=C(N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161457261 1223199503 /nfs/dbraw/zinc/19/95/03/1223199503.db2.gz QMAZSHLPHAQTQS-QRWLVFNGSA-N 2 2 354.454 0.416 20 0 FCADLP COCCC1(CNc2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)CC[NH2+]CC1 ZINC001161505121 1223202968 /nfs/dbraw/zinc/20/29/68/1223202968.db2.gz NJGLTXRUURRTLZ-CQSZACIVSA-N 2 2 362.478 0.749 20 0 FCADLP COCCC1(CNc2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)CC[NH2+]CC1 ZINC001161505121 1223202974 /nfs/dbraw/zinc/20/29/74/1223202974.db2.gz NJGLTXRUURRTLZ-CQSZACIVSA-N 2 2 362.478 0.749 20 0 FCADLP CNC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001162832238 1223220085 /nfs/dbraw/zinc/22/00/85/1223220085.db2.gz LXWNNORJCOSHMZ-IAGOWNOFSA-N 2 2 369.469 0.920 20 0 FCADLP CN1CCN(c2cc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)[nH+]cn2)CC1=O ZINC001162958136 1223222901 /nfs/dbraw/zinc/22/29/01/1223222901.db2.gz YERDNBUIYUFVFN-HNNXBMFYSA-N 2 2 374.489 0.716 20 0 FCADLP CN1CCN(c2cc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)nc[nH+]2)CC1=O ZINC001162958136 1223222903 /nfs/dbraw/zinc/22/29/03/1223222903.db2.gz YERDNBUIYUFVFN-HNNXBMFYSA-N 2 2 374.489 0.716 20 0 FCADLP O=C(NCCC[NH2+]C[C@@H]1CCCOC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995681 1223223506 /nfs/dbraw/zinc/22/35/06/1223223506.db2.gz CIKHLHOGOQPZBZ-KSZLIROESA-N 2 2 369.506 0.389 20 0 FCADLP NC(=O)C1CCN(c2cc(NCc3noc4c3C[NH2+]CC4)[nH+]cn2)CC1 ZINC001163125680 1223227053 /nfs/dbraw/zinc/22/70/53/1223227053.db2.gz DVTANJMUNLYJIM-UHFFFAOYSA-N 2 2 357.418 0.424 20 0 FCADLP O=c1cc(CNc2cc(O[C@H]3CCOC3)cc[nH+]2)nc2n1CCC[NH2+]C2 ZINC001163124375 1223227111 /nfs/dbraw/zinc/22/71/11/1223227111.db2.gz MDUQHWJTFCBEQD-HNNXBMFYSA-N 2 2 357.414 0.911 20 0 FCADLP C[N@H+](C1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1)[C@@H]1CCOC1 ZINC001165205820 1223243496 /nfs/dbraw/zinc/24/34/96/1223243496.db2.gz ZAQWVEZAPWVPGX-OAHLLOKOSA-N 2 2 373.505 0.981 20 0 FCADLP C[N@@H+](C1CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1)[C@@H]1CCOC1 ZINC001165205820 1223243498 /nfs/dbraw/zinc/24/34/98/1223243498.db2.gz ZAQWVEZAPWVPGX-OAHLLOKOSA-N 2 2 373.505 0.981 20 0 FCADLP COCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001205226238 1223318037 /nfs/dbraw/zinc/31/80/37/1223318037.db2.gz MEGDEBLOUASUHZ-QZTJIDSGSA-N 2 2 358.442 0.603 20 0 FCADLP COCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001205226238 1223318038 /nfs/dbraw/zinc/31/80/38/1223318038.db2.gz MEGDEBLOUASUHZ-QZTJIDSGSA-N 2 2 358.442 0.603 20 0 FCADLP CCOCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001205511897 1223329427 /nfs/dbraw/zinc/32/94/27/1223329427.db2.gz MANJPBHPAPSDDR-DLBZAZTESA-N 2 2 362.474 0.928 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001206319486 1223354919 /nfs/dbraw/zinc/35/49/19/1223354919.db2.gz GVBHCGBEOBAWHL-HZPDHXFCSA-N 2 2 357.462 0.644 20 0 FCADLP Cc1[nH+]cc(CN2Cc3nccn3C[C@H](C[NH+]3CCN(C)CC3)C2)n1C ZINC001206793968 1223371063 /nfs/dbraw/zinc/37/10/63/1223371063.db2.gz SQKUUPIZQPWIJK-QGZVFWFLSA-N 2 2 357.506 0.804 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207008514 1223404999 /nfs/dbraw/zinc/40/49/99/1223404999.db2.gz ZWNSXHOIICGKBF-FRRDWIJNSA-N 2 2 364.450 0.028 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001207008514 1223405006 /nfs/dbraw/zinc/40/50/06/1223405006.db2.gz ZWNSXHOIICGKBF-FRRDWIJNSA-N 2 2 364.450 0.028 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336858 1223438851 /nfs/dbraw/zinc/43/88/51/1223438851.db2.gz LCWLRTZNDIGXLJ-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336858 1223438859 /nfs/dbraw/zinc/43/88/59/1223438859.db2.gz LCWLRTZNDIGXLJ-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336858 1223438865 /nfs/dbraw/zinc/43/88/65/1223438865.db2.gz LCWLRTZNDIGXLJ-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001207336858 1223438872 /nfs/dbraw/zinc/43/88/72/1223438872.db2.gz LCWLRTZNDIGXLJ-KFWWJZLASA-N 2 2 367.494 0.143 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)on1 ZINC001207547532 1223455048 /nfs/dbraw/zinc/45/50/48/1223455048.db2.gz ZZPAVMYTLQRSFP-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)on1 ZINC001207547532 1223455051 /nfs/dbraw/zinc/45/50/51/1223455051.db2.gz ZZPAVMYTLQRSFP-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547327 1223455077 /nfs/dbraw/zinc/45/50/77/1223455077.db2.gz SOFKPXGQZRFKRQ-BMFZPTHFSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547327 1223455080 /nfs/dbraw/zinc/45/50/80/1223455080.db2.gz SOFKPXGQZRFKRQ-BMFZPTHFSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001207547387 1223455354 /nfs/dbraw/zinc/45/53/54/1223455354.db2.gz UVLVBWWKIHUCJD-BMFZPTHFSA-N 2 2 359.474 0.723 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001207547387 1223455356 /nfs/dbraw/zinc/45/53/56/1223455356.db2.gz UVLVBWWKIHUCJD-BMFZPTHFSA-N 2 2 359.474 0.723 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208056865 1223510881 /nfs/dbraw/zinc/51/08/81/1223510881.db2.gz BRZKRRHASVLDJP-BZUAXINKSA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208056865 1223510885 /nfs/dbraw/zinc/51/08/85/1223510885.db2.gz BRZKRRHASVLDJP-BZUAXINKSA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252062 1223524823 /nfs/dbraw/zinc/52/48/23/1223524823.db2.gz BZDJRDGILTUFLG-HUUCEWRRSA-N 2 2 364.494 0.807 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252062 1223524824 /nfs/dbraw/zinc/52/48/24/1223524824.db2.gz BZDJRDGILTUFLG-HUUCEWRRSA-N 2 2 364.494 0.807 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208255109 1223525680 /nfs/dbraw/zinc/52/56/80/1223525680.db2.gz URHRSXQHXNWDNO-DJIMGWMZSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208255109 1223525685 /nfs/dbraw/zinc/52/56/85/1223525685.db2.gz URHRSXQHXNWDNO-DJIMGWMZSA-N 2 2 359.474 0.863 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609705 1223562154 /nfs/dbraw/zinc/56/21/54/1223562154.db2.gz WBYFYIOLDJWRRD-QBPKDAKJSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609705 1223562158 /nfs/dbraw/zinc/56/21/58/1223562158.db2.gz WBYFYIOLDJWRRD-QBPKDAKJSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609705 1223562159 /nfs/dbraw/zinc/56/21/59/1223562159.db2.gz WBYFYIOLDJWRRD-QBPKDAKJSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1ccnc1C(=O)N[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@@H]2CCCO[C@H]12 ZINC001208609705 1223562160 /nfs/dbraw/zinc/56/21/60/1223562160.db2.gz WBYFYIOLDJWRRD-QBPKDAKJSA-N 2 2 361.490 0.724 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208628384 1223564557 /nfs/dbraw/zinc/56/45/57/1223564557.db2.gz GGDHLIAIPFHGFC-UKPHBRMFSA-N 2 2 361.490 0.669 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208628384 1223564562 /nfs/dbraw/zinc/56/45/62/1223564562.db2.gz GGDHLIAIPFHGFC-UKPHBRMFSA-N 2 2 361.490 0.669 20 0 FCADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)n1 ZINC001276589581 1223580144 /nfs/dbraw/zinc/58/01/44/1223580144.db2.gz XIJXPHDBXQSPTQ-IBGZPJMESA-N 2 2 360.458 0.997 20 0 FCADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)n1 ZINC001276589581 1223580146 /nfs/dbraw/zinc/58/01/46/1223580146.db2.gz XIJXPHDBXQSPTQ-IBGZPJMESA-N 2 2 360.458 0.997 20 0 FCADLP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276605494 1223590350 /nfs/dbraw/zinc/59/03/50/1223590350.db2.gz JQZYJLOJZUQWHS-HNAYVOBHSA-N 2 2 369.506 0.829 20 0 FCADLP C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276605494 1223590354 /nfs/dbraw/zinc/59/03/54/1223590354.db2.gz JQZYJLOJZUQWHS-HNAYVOBHSA-N 2 2 369.506 0.829 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208996349 1223591007 /nfs/dbraw/zinc/59/10/07/1223591007.db2.gz VYUAYPSBTLCKNT-RBSFLKMASA-N 2 2 361.446 0.420 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C)n1cc[nH+]c1 ZINC001208996349 1223591009 /nfs/dbraw/zinc/59/10/09/1223591009.db2.gz VYUAYPSBTLCKNT-RBSFLKMASA-N 2 2 361.446 0.420 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209135225 1223600130 /nfs/dbraw/zinc/60/01/30/1223600130.db2.gz YMMBFYKGRARUHV-QLFBSQMISA-N 2 2 367.494 0.143 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209135225 1223600133 /nfs/dbraw/zinc/60/01/33/1223600133.db2.gz YMMBFYKGRARUHV-QLFBSQMISA-N 2 2 367.494 0.143 20 0 FCADLP Cc1cccc(CO[C@H]2C[C@H]3CN(CC[NH+]4CCOCC4)CC[N@@H+]3C2)n1 ZINC001209289500 1223608062 /nfs/dbraw/zinc/60/80/62/1223608062.db2.gz DKUFSPBFDBKHBE-PMACEKPBSA-N 2 2 360.502 0.997 20 0 FCADLP Cc1cccc(CO[C@H]2C[C@H]3CN(CC[NH+]4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289500 1223608064 /nfs/dbraw/zinc/60/80/64/1223608064.db2.gz DKUFSPBFDBKHBE-PMACEKPBSA-N 2 2 360.502 0.997 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477201 1223623220 /nfs/dbraw/zinc/62/32/20/1223623220.db2.gz AZMUVUNDEHCCHO-NVXWUHKLSA-N 2 2 364.494 0.254 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477201 1223623224 /nfs/dbraw/zinc/62/32/24/1223623224.db2.gz AZMUVUNDEHCCHO-NVXWUHKLSA-N 2 2 364.494 0.254 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506657 1223626128 /nfs/dbraw/zinc/62/61/28/1223626128.db2.gz PFGCMUYEVYYMIH-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506657 1223626132 /nfs/dbraw/zinc/62/61/32/1223626132.db2.gz PFGCMUYEVYYMIH-NVXWUHKLSA-N 2 2 366.506 0.204 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)C(C)C ZINC001209584965 1223632752 /nfs/dbraw/zinc/63/27/52/1223632752.db2.gz FKANLZNNKBSUHC-FMKPAKJESA-N 2 2 369.510 0.245 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C)C(C)C ZINC001209584965 1223632755 /nfs/dbraw/zinc/63/27/55/1223632755.db2.gz FKANLZNNKBSUHC-FMKPAKJESA-N 2 2 369.510 0.245 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001209700594 1223642236 /nfs/dbraw/zinc/64/22/36/1223642236.db2.gz WGAPEBGVTDLJNY-BZUAXINKSA-N 2 2 359.474 0.630 20 0 FCADLP COCCN1CC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)[C@@H](COC)C1=O ZINC001209731099 1223644983 /nfs/dbraw/zinc/64/49/83/1223644983.db2.gz VBVOVQJDERYYPK-INIZCTEOSA-N 2 2 362.474 0.828 20 0 FCADLP C[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210284842 1223680268 /nfs/dbraw/zinc/68/02/68/1223680268.db2.gz UGQOMQGLQKEZHX-NVXWUHKLSA-N 2 2 359.478 0.861 20 0 FCADLP C[C@@H]1C[N@@H+](CCCCCn2cncn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210284842 1223680270 /nfs/dbraw/zinc/68/02/70/1223680270.db2.gz UGQOMQGLQKEZHX-NVXWUHKLSA-N 2 2 359.478 0.861 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512872 1223694324 /nfs/dbraw/zinc/69/43/24/1223694324.db2.gz CEJKDJVPJJMUSE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512872 1223694328 /nfs/dbraw/zinc/69/43/28/1223694328.db2.gz CEJKDJVPJJMUSE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512872 1223694331 /nfs/dbraw/zinc/69/43/31/1223694331.db2.gz CEJKDJVPJJMUSE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001210512872 1223694333 /nfs/dbraw/zinc/69/43/33/1223694333.db2.gz CEJKDJVPJJMUSE-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046384 1223721703 /nfs/dbraw/zinc/72/17/03/1223721703.db2.gz NVGIDIXPWRGQIX-BRWVUGGUSA-N 2 2 368.522 0.163 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046384 1223721704 /nfs/dbraw/zinc/72/17/04/1223721704.db2.gz NVGIDIXPWRGQIX-BRWVUGGUSA-N 2 2 368.522 0.163 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054532 1223722932 /nfs/dbraw/zinc/72/29/32/1223722932.db2.gz PXFODUBMJFASII-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054532 1223722934 /nfs/dbraw/zinc/72/29/34/1223722934.db2.gz PXFODUBMJFASII-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367604 1223738088 /nfs/dbraw/zinc/73/80/88/1223738088.db2.gz XJMAFAGCNQKZNI-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367604 1223738090 /nfs/dbraw/zinc/73/80/90/1223738090.db2.gz XJMAFAGCNQKZNI-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367604 1223738093 /nfs/dbraw/zinc/73/80/93/1223738093.db2.gz XJMAFAGCNQKZNI-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C ZINC001211367604 1223738095 /nfs/dbraw/zinc/73/80/95/1223738095.db2.gz XJMAFAGCNQKZNI-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433630 1223741678 /nfs/dbraw/zinc/74/16/78/1223741678.db2.gz OADLAFJCWZKTQY-BRWVUGGUSA-N 2 2 360.462 0.357 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433630 1223741679 /nfs/dbraw/zinc/74/16/79/1223741679.db2.gz OADLAFJCWZKTQY-BRWVUGGUSA-N 2 2 360.462 0.357 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167748 1223762034 /nfs/dbraw/zinc/76/20/34/1223762034.db2.gz INBHQUKXOITGTJ-BRWVUGGUSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001213167748 1223762040 /nfs/dbraw/zinc/76/20/40/1223762040.db2.gz INBHQUKXOITGTJ-BRWVUGGUSA-N 2 2 366.462 0.203 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203314 1223767215 /nfs/dbraw/zinc/76/72/15/1223767215.db2.gz QIFMFTMHFQOBKC-IAGOWNOFSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203314 1223767217 /nfs/dbraw/zinc/76/72/17/1223767217.db2.gz QIFMFTMHFQOBKC-IAGOWNOFSA-N 2 2 364.490 0.985 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219399 1223770081 /nfs/dbraw/zinc/77/00/81/1223770081.db2.gz QMJGTKFNGDEVPT-IXDOHACOSA-N 2 2 368.522 0.720 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219399 1223770085 /nfs/dbraw/zinc/77/00/85/1223770085.db2.gz QMJGTKFNGDEVPT-IXDOHACOSA-N 2 2 368.522 0.720 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219399 1223770089 /nfs/dbraw/zinc/77/00/89/1223770089.db2.gz QMJGTKFNGDEVPT-IXDOHACOSA-N 2 2 368.522 0.720 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219399 1223770091 /nfs/dbraw/zinc/77/00/91/1223770091.db2.gz QMJGTKFNGDEVPT-IXDOHACOSA-N 2 2 368.522 0.720 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322103 1223784277 /nfs/dbraw/zinc/78/42/77/1223784277.db2.gz BAVTWBIFIKDFLK-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322103 1223784280 /nfs/dbraw/zinc/78/42/80/1223784280.db2.gz BAVTWBIFIKDFLK-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322103 1223784283 /nfs/dbraw/zinc/78/42/83/1223784283.db2.gz BAVTWBIFIKDFLK-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2OC)C1 ZINC001213322103 1223784288 /nfs/dbraw/zinc/78/42/88/1223784288.db2.gz BAVTWBIFIKDFLK-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328829 1223785271 /nfs/dbraw/zinc/78/52/71/1223785271.db2.gz CAIKKRLOHUXDKW-KURKYZTESA-N 2 2 371.522 0.728 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328829 1223785274 /nfs/dbraw/zinc/78/52/74/1223785274.db2.gz CAIKKRLOHUXDKW-KURKYZTESA-N 2 2 371.522 0.728 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328829 1223785278 /nfs/dbraw/zinc/78/52/78/1223785278.db2.gz CAIKKRLOHUXDKW-KURKYZTESA-N 2 2 371.522 0.728 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328829 1223785283 /nfs/dbraw/zinc/78/52/83/1223785283.db2.gz CAIKKRLOHUXDKW-KURKYZTESA-N 2 2 371.522 0.728 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)ccn1 ZINC001213340244 1223788054 /nfs/dbraw/zinc/78/80/54/1223788054.db2.gz XKQPIVLMPPBTMF-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)ccn1 ZINC001213340244 1223788055 /nfs/dbraw/zinc/78/80/55/1223788055.db2.gz XKQPIVLMPPBTMF-HZPDHXFCSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346501 1223788982 /nfs/dbraw/zinc/78/89/82/1223788982.db2.gz PWKYSVZBIGHRLY-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346501 1223788983 /nfs/dbraw/zinc/78/89/83/1223788983.db2.gz PWKYSVZBIGHRLY-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348697 1223789559 /nfs/dbraw/zinc/78/95/59/1223789559.db2.gz RZCJNTFKEIHHRD-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348697 1223789562 /nfs/dbraw/zinc/78/95/62/1223789562.db2.gz RZCJNTFKEIHHRD-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370370 1223791198 /nfs/dbraw/zinc/79/11/98/1223791198.db2.gz GRMFTJLANRJIOC-IAGOWNOFSA-N 2 2 362.474 0.070 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370370 1223791201 /nfs/dbraw/zinc/79/12/01/1223791201.db2.gz GRMFTJLANRJIOC-IAGOWNOFSA-N 2 2 362.474 0.070 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369346 1223791340 /nfs/dbraw/zinc/79/13/40/1223791340.db2.gz OWJBKLYPCPQJDV-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369346 1223791343 /nfs/dbraw/zinc/79/13/43/1223791343.db2.gz OWJBKLYPCPQJDV-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001213499892 1223805870 /nfs/dbraw/zinc/80/58/70/1223805870.db2.gz FPUIUBWLUYOJHV-USXIJHARSA-N 2 2 360.462 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001213499892 1223805873 /nfs/dbraw/zinc/80/58/73/1223805873.db2.gz FPUIUBWLUYOJHV-USXIJHARSA-N 2 2 360.462 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575919 1223816373 /nfs/dbraw/zinc/81/63/73/1223816373.db2.gz ANZAUJKYUJURKX-OWCLPIDISA-N 2 2 363.462 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575919 1223816376 /nfs/dbraw/zinc/81/63/76/1223816376.db2.gz ANZAUJKYUJURKX-OWCLPIDISA-N 2 2 363.462 0.066 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588435 1223818786 /nfs/dbraw/zinc/81/87/86/1223818786.db2.gz GQQXOQQXXFPZJP-GVDBMIGSSA-N 2 2 370.538 0.791 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588435 1223818788 /nfs/dbraw/zinc/81/87/88/1223818788.db2.gz GQQXOQQXXFPZJP-GVDBMIGSSA-N 2 2 370.538 0.791 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588435 1223818789 /nfs/dbraw/zinc/81/87/89/1223818789.db2.gz GQQXOQQXXFPZJP-GVDBMIGSSA-N 2 2 370.538 0.791 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1OC ZINC001213588435 1223818790 /nfs/dbraw/zinc/81/87/90/1223818790.db2.gz GQQXOQQXXFPZJP-GVDBMIGSSA-N 2 2 370.538 0.791 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC)C(C)C ZINC001213593296 1223819707 /nfs/dbraw/zinc/81/97/07/1223819707.db2.gz SZXHVPYPYXVSLA-JFIYKMOQSA-N 2 2 370.538 0.693 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC)C(C)C ZINC001213593296 1223819710 /nfs/dbraw/zinc/81/97/10/1223819710.db2.gz SZXHVPYPYXVSLA-JFIYKMOQSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629128 1223825335 /nfs/dbraw/zinc/82/53/35/1223825335.db2.gz LWYJLPSPLRIZDS-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629128 1223825338 /nfs/dbraw/zinc/82/53/38/1223825338.db2.gz LWYJLPSPLRIZDS-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638262 1223825705 /nfs/dbraw/zinc/82/57/05/1223825705.db2.gz GUPZPKYHAHZLHD-NVXWUHKLSA-N 2 2 366.462 0.409 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638262 1223825707 /nfs/dbraw/zinc/82/57/07/1223825707.db2.gz GUPZPKYHAHZLHD-NVXWUHKLSA-N 2 2 366.462 0.409 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671625 1223830265 /nfs/dbraw/zinc/83/02/65/1223830265.db2.gz OTCOSSDQEMZILD-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671625 1223830267 /nfs/dbraw/zinc/83/02/67/1223830267.db2.gz OTCOSSDQEMZILD-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671625 1223830269 /nfs/dbraw/zinc/83/02/69/1223830269.db2.gz OTCOSSDQEMZILD-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671625 1223830271 /nfs/dbraw/zinc/83/02/71/1223830271.db2.gz OTCOSSDQEMZILD-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213671647 1223830454 /nfs/dbraw/zinc/83/04/54/1223830454.db2.gz PJKSXFNNOCXOBY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213671647 1223830455 /nfs/dbraw/zinc/83/04/55/1223830455.db2.gz PJKSXFNNOCXOBY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213671647 1223830457 /nfs/dbraw/zinc/83/04/57/1223830457.db2.gz PJKSXFNNOCXOBY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213671647 1223830458 /nfs/dbraw/zinc/83/04/58/1223830458.db2.gz PJKSXFNNOCXOBY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671384 1223830601 /nfs/dbraw/zinc/83/06/01/1223830601.db2.gz FDIKRMZPYQFABZ-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671384 1223830603 /nfs/dbraw/zinc/83/06/03/1223830603.db2.gz FDIKRMZPYQFABZ-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671384 1223830605 /nfs/dbraw/zinc/83/06/05/1223830605.db2.gz FDIKRMZPYQFABZ-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213671384 1223830607 /nfs/dbraw/zinc/83/06/07/1223830607.db2.gz FDIKRMZPYQFABZ-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213712704 1223837362 /nfs/dbraw/zinc/83/73/62/1223837362.db2.gz BXEZNZOEILXMEL-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001213712704 1223837364 /nfs/dbraw/zinc/83/73/64/1223837364.db2.gz BXEZNZOEILXMEL-IAGOWNOFSA-N 2 2 370.538 0.792 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001213715131 1223837850 /nfs/dbraw/zinc/83/78/50/1223837850.db2.gz HZFDDSIPQXEYON-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001213715131 1223837852 /nfs/dbraw/zinc/83/78/52/1223837852.db2.gz HZFDDSIPQXEYON-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213718952 1223838964 /nfs/dbraw/zinc/83/89/64/1223838964.db2.gz HPDBFGGLCZXZFO-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213718952 1223838965 /nfs/dbraw/zinc/83/89/65/1223838965.db2.gz HPDBFGGLCZXZFO-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213718952 1223838968 /nfs/dbraw/zinc/83/89/68/1223838968.db2.gz HPDBFGGLCZXZFO-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213718952 1223838969 /nfs/dbraw/zinc/83/89/69/1223838969.db2.gz HPDBFGGLCZXZFO-USXIJHARSA-N 2 2 368.522 0.448 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705946 1223862490 /nfs/dbraw/zinc/86/24/90/1223862490.db2.gz VYPIQCSWAVUUKB-GOSISDBHSA-N 2 2 361.446 0.203 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705946 1223862492 /nfs/dbraw/zinc/86/24/92/1223862492.db2.gz VYPIQCSWAVUUKB-GOSISDBHSA-N 2 2 361.446 0.203 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@H](OC)C2)C1=O ZINC001213921865 1223872989 /nfs/dbraw/zinc/87/29/89/1223872989.db2.gz KLIRBVKGNBOWOC-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@H](OC)C2)C1=O ZINC001213921865 1223872992 /nfs/dbraw/zinc/87/29/92/1223872992.db2.gz KLIRBVKGNBOWOC-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213972094 1223879429 /nfs/dbraw/zinc/87/94/29/1223879429.db2.gz AEPZQWSDBOFXHH-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213972094 1223879431 /nfs/dbraw/zinc/87/94/31/1223879431.db2.gz AEPZQWSDBOFXHH-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531242 1223918909 /nfs/dbraw/zinc/91/89/09/1223918909.db2.gz UMSJCRFGTYMMDU-QLFBSQMISA-N 2 2 365.478 0.320 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214655405 1223929469 /nfs/dbraw/zinc/92/94/69/1223929469.db2.gz JNIZJUZCDJMYJW-QBPKDAKJSA-N 2 2 373.501 0.679 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214672318 1223930804 /nfs/dbraw/zinc/93/08/04/1223930804.db2.gz IJJGGRZISUNOQA-CZUORRHYSA-N 2 2 359.474 0.477 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812112 1223944901 /nfs/dbraw/zinc/94/49/01/1223944901.db2.gz SLYDDKDGPAYKKU-YRGRVCCFSA-N 2 2 364.450 0.013 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812112 1223944902 /nfs/dbraw/zinc/94/49/02/1223944902.db2.gz SLYDDKDGPAYKKU-YRGRVCCFSA-N 2 2 364.450 0.013 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214893083 1223952994 /nfs/dbraw/zinc/95/29/94/1223952994.db2.gz ZMYSHZLTNNEQPS-DNNBLBMLSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001214893083 1223952996 /nfs/dbraw/zinc/95/29/96/1223952996.db2.gz ZMYSHZLTNNEQPS-DNNBLBMLSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008467 1223963464 /nfs/dbraw/zinc/96/34/64/1223963464.db2.gz PFLHYAYKUDRVSC-BFYDXBDKSA-N 2 2 361.490 0.749 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005888 1223963761 /nfs/dbraw/zinc/96/37/61/1223963761.db2.gz KLBIWDMYRVZRCG-OWCLPIDISA-N 2 2 361.490 0.749 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215132460 1223976503 /nfs/dbraw/zinc/97/65/03/1223976503.db2.gz FNJJINCCGXZPNS-UKRRQHHQSA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001215200149 1223981739 /nfs/dbraw/zinc/98/17/39/1223981739.db2.gz QZWMVRKPIGMDNY-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215271494 1223987373 /nfs/dbraw/zinc/98/73/73/1223987373.db2.gz QXHDCFNCARSHAX-OWCLPIDISA-N 2 2 365.478 0.251 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215271493 1223987406 /nfs/dbraw/zinc/98/74/06/1223987406.db2.gz QXHDCFNCARSHAX-BZUAXINKSA-N 2 2 365.478 0.251 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n1 ZINC001215414644 1223998609 /nfs/dbraw/zinc/99/86/09/1223998609.db2.gz YTXPVZGRSIAKNP-ZIAGYGMSSA-N 2 2 365.478 0.537 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185064 1224038131 /nfs/dbraw/zinc/03/81/31/1224038131.db2.gz LEHKADWAKKCFLG-UKPHBRMFSA-N 2 2 359.430 0.325 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185285 1224038268 /nfs/dbraw/zinc/03/82/68/1224038268.db2.gz POWUGXNUNKWMLL-XJKCOSOUSA-N 2 2 356.430 0.452 20 0 FCADLP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC001216348951 1224046070 /nfs/dbraw/zinc/04/60/70/1224046070.db2.gz QMBFANFMSYOSFC-QGPMSJSTSA-N 2 2 371.489 0.840 20 0 FCADLP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C)C1)c1ccccc1 ZINC001216348951 1224046073 /nfs/dbraw/zinc/04/60/73/1224046073.db2.gz QMBFANFMSYOSFC-QGPMSJSTSA-N 2 2 371.489 0.840 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001216561170 1224055583 /nfs/dbraw/zinc/05/55/83/1224055583.db2.gz PXBVWJGBEIGUJW-CXAGYDPISA-N 2 2 370.457 0.409 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216630524 1224059425 /nfs/dbraw/zinc/05/94/25/1224059425.db2.gz IKNNENPYMGGVDF-DJIMGWMZSA-N 2 2 360.462 0.047 20 0 FCADLP COCc1nc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)no1 ZINC001276750631 1224084461 /nfs/dbraw/zinc/08/44/61/1224084461.db2.gz ITBZFCQMGRZGRA-SFHVURJKSA-N 2 2 365.478 0.982 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000982300098 1248784889 /nfs/dbraw/zinc/78/48/89/1248784889.db2.gz SGECBHLIULBBEG-ZGPDXJMCSA-N 2 2 357.458 0.572 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@]1(C)C[N@H+]([C@H]1CCNC1=O)C2 ZINC000982300098 1248784895 /nfs/dbraw/zinc/78/48/95/1248784895.db2.gz SGECBHLIULBBEG-ZGPDXJMCSA-N 2 2 357.458 0.572 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@@H+]([C@H]1CCNC1=O)C2 ZINC000982300098 1248784901 /nfs/dbraw/zinc/78/49/01/1248784901.db2.gz SGECBHLIULBBEG-ZGPDXJMCSA-N 2 2 357.458 0.572 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@]1(C)C[N@H+]([C@H]1CCNC1=O)C2 ZINC000982300098 1248784910 /nfs/dbraw/zinc/78/49/10/1248784910.db2.gz SGECBHLIULBBEG-ZGPDXJMCSA-N 2 2 357.458 0.572 20 0 FCADLP CCn1nncc1C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985493706 1248944758 /nfs/dbraw/zinc/94/47/58/1248944758.db2.gz VFYLVAFIJYXSRL-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985493706 1248944766 /nfs/dbraw/zinc/94/47/66/1248944766.db2.gz VFYLVAFIJYXSRL-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985493706 1248944769 /nfs/dbraw/zinc/94/47/69/1248944769.db2.gz VFYLVAFIJYXSRL-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985493706 1248944774 /nfs/dbraw/zinc/94/47/74/1248944774.db2.gz VFYLVAFIJYXSRL-RHSMWYFYSA-N 2 2 364.494 0.440 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986769979 1248992368 /nfs/dbraw/zinc/99/23/68/1248992368.db2.gz DKLIOCPUJTVLBJ-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000986769979 1248992372 /nfs/dbraw/zinc/99/23/72/1248992372.db2.gz DKLIOCPUJTVLBJ-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986778442 1248997568 /nfs/dbraw/zinc/99/75/68/1248997568.db2.gz ALKMLGLOBQGEHT-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986778442 1248997580 /nfs/dbraw/zinc/99/75/80/1248997580.db2.gz ALKMLGLOBQGEHT-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000987954397 1249275783 /nfs/dbraw/zinc/27/57/83/1249275783.db2.gz UGUZCWSRFHWCQO-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000987954397 1249275788 /nfs/dbraw/zinc/27/57/88/1249275788.db2.gz UGUZCWSRFHWCQO-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000990435086 1249360335 /nfs/dbraw/zinc/36/03/35/1249360335.db2.gz UGRRELFNYAIZSO-RPVQJOFSSA-N 2 2 359.474 0.932 20 0 FCADLP CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000993579511 1249728616 /nfs/dbraw/zinc/72/86/16/1249728616.db2.gz ASWYKVGKKKKVBE-ARFHVFGLSA-N 2 2 361.490 0.829 20 0 FCADLP CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000993579511 1249728629 /nfs/dbraw/zinc/72/86/29/1249728629.db2.gz ASWYKVGKKKKVBE-ARFHVFGLSA-N 2 2 361.490 0.829 20 0 FCADLP CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000993581335 1249732027 /nfs/dbraw/zinc/73/20/27/1249732027.db2.gz MRGBOOHAXGBVFH-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000993581335 1249732032 /nfs/dbraw/zinc/73/20/32/1249732032.db2.gz MRGBOOHAXGBVFH-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993582639 1249736074 /nfs/dbraw/zinc/73/60/74/1249736074.db2.gz GZPAYSNVMNKTGA-HZPDHXFCSA-N 2 2 359.474 0.727 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)CC3CC3)C2)CC[N@@H+]1C ZINC000993606070 1249795220 /nfs/dbraw/zinc/79/52/20/1249795220.db2.gz AODSSCMCDGMETM-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)CC3CC3)C2)CC[N@H+]1C ZINC000993606070 1249795230 /nfs/dbraw/zinc/79/52/30/1249795230.db2.gz AODSSCMCDGMETM-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP CCC(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1c[nH+]cn1C ZINC000993608521 1249799355 /nfs/dbraw/zinc/79/93/55/1249799355.db2.gz VTALYDJWWBRALP-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)C)C1 ZINC000993611700 1249811179 /nfs/dbraw/zinc/81/11/79/1249811179.db2.gz BXONLSZVQSFTLE-HUUCEWRRSA-N 2 2 358.446 0.692 20 0 FCADLP 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CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001001880608 1252388470 /nfs/dbraw/zinc/38/84/70/1252388470.db2.gz OIJWRTFKWYXNCS-INMHGKMJSA-N 2 2 359.474 0.961 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001001880608 1252388477 /nfs/dbraw/zinc/38/84/77/1252388477.db2.gz OIJWRTFKWYXNCS-INMHGKMJSA-N 2 2 359.474 0.961 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001002950204 1252748891 /nfs/dbraw/zinc/74/88/91/1252748891.db2.gz WGQLBIKMRSLQME-TWMKSMIVSA-N 2 2 357.458 0.542 20 0 FCADLP C[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCN1C ZINC001518799294 1265682204 /nfs/dbraw/zinc/68/22/04/1265682204.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCN1C ZINC001518799294 1265682214 /nfs/dbraw/zinc/68/22/14/1265682214.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCN1C ZINC001518799294 1265682226 /nfs/dbraw/zinc/68/22/26/1265682226.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCN1C ZINC001518799294 1265682235 /nfs/dbraw/zinc/68/22/35/1265682235.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CN(C)CC[NH+]1C ZINC001518799294 1265682244 /nfs/dbraw/zinc/68/22/44/1265682244.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1CN(C)CC[NH+]1C ZINC001518799294 1265682248 /nfs/dbraw/zinc/68/22/48/1265682248.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001518799294 1265682254 /nfs/dbraw/zinc/68/22/54/1265682254.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CN(C)CC[N@H+]1C ZINC001518799294 1265682263 /nfs/dbraw/zinc/68/22/63/1265682263.db2.gz AQLIYBBNAPKZGN-QFBILLFUSA-N 2 2 359.518 0.978 20 0 FCADLP O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001003644651 1253028191 /nfs/dbraw/zinc/02/81/91/1253028191.db2.gz HUNQLWPEJNCCOO-AHCXZYCDSA-N 2 2 371.485 0.789 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001003872092 1253131970 /nfs/dbraw/zinc/13/19/70/1253131970.db2.gz QIJNOYWLKYJZJU-NCOADZHNSA-N 2 2 359.474 0.924 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001003872092 1253131981 /nfs/dbraw/zinc/13/19/81/1253131981.db2.gz QIJNOYWLKYJZJU-NCOADZHNSA-N 2 2 359.474 0.924 20 0 FCADLP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)CC1 ZINC001004362272 1253299227 /nfs/dbraw/zinc/29/92/27/1253299227.db2.gz JBJSXPJVBYVZMN-NXHRZFHOSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001004518481 1253350488 /nfs/dbraw/zinc/35/04/88/1253350488.db2.gz FQWQQRZKSIMSKY-HUUCEWRRSA-N 2 2 359.474 0.583 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001004523463 1253353551 /nfs/dbraw/zinc/35/35/51/1253353551.db2.gz DTACOUKNCPRUAB-YLFCFFPRSA-N 2 2 373.501 0.829 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001004523463 1253353557 /nfs/dbraw/zinc/35/35/57/1253353557.db2.gz DTACOUKNCPRUAB-YLFCFFPRSA-N 2 2 373.501 0.829 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642397 1265741374 /nfs/dbraw/zinc/74/13/74/1265741374.db2.gz SALVIBRUNDQXHN-INIZCTEOSA-N 2 2 354.495 0.809 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001519642397 1265741380 /nfs/dbraw/zinc/74/13/80/1265741380.db2.gz SALVIBRUNDQXHN-INIZCTEOSA-N 2 2 354.495 0.809 20 0 FCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001519642397 1265741387 /nfs/dbraw/zinc/74/13/87/1265741387.db2.gz SALVIBRUNDQXHN-INIZCTEOSA-N 2 2 354.495 0.809 20 0 FCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001519642397 1265741392 /nfs/dbraw/zinc/74/13/92/1265741392.db2.gz SALVIBRUNDQXHN-INIZCTEOSA-N 2 2 354.495 0.809 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC001005352275 1253529964 /nfs/dbraw/zinc/52/99/64/1253529964.db2.gz IDGWARYIOJUVIC-RBZJEDDUSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC001005352275 1253529969 /nfs/dbraw/zinc/52/99/69/1253529969.db2.gz IDGWARYIOJUVIC-RBZJEDDUSA-N 2 2 359.474 0.931 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001022149467 1253786661 /nfs/dbraw/zinc/78/66/61/1253786661.db2.gz XZSCUHSGENIKLF-SUMWQHHRSA-N 2 2 364.409 0.973 20 0 FCADLP COc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001027463862 1253854777 /nfs/dbraw/zinc/85/47/77/1253854777.db2.gz ISLYYUODGYIEKH-IIAWOOMASA-N 2 2 366.462 0.825 20 0 FCADLP COc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001027463862 1253854780 /nfs/dbraw/zinc/85/47/80/1253854780.db2.gz ISLYYUODGYIEKH-IIAWOOMASA-N 2 2 366.462 0.825 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001027463862 1253854784 /nfs/dbraw/zinc/85/47/84/1253854784.db2.gz ISLYYUODGYIEKH-IIAWOOMASA-N 2 2 366.462 0.825 20 0 FCADLP COc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001027463862 1253854790 /nfs/dbraw/zinc/85/47/90/1253854790.db2.gz ISLYYUODGYIEKH-IIAWOOMASA-N 2 2 366.462 0.825 20 0 FCADLP CCCn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029742748 1253869119 /nfs/dbraw/zinc/86/91/19/1253869119.db2.gz YEDCQAMAESDOCL-BZUAXINKSA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029742748 1253869124 /nfs/dbraw/zinc/86/91/24/1253869124.db2.gz YEDCQAMAESDOCL-BZUAXINKSA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029742748 1253869134 /nfs/dbraw/zinc/86/91/34/1253869134.db2.gz YEDCQAMAESDOCL-BZUAXINKSA-N 2 2 363.510 0.704 20 0 FCADLP CCCn1nnnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029742748 1253869143 /nfs/dbraw/zinc/86/91/43/1253869143.db2.gz YEDCQAMAESDOCL-BZUAXINKSA-N 2 2 363.510 0.704 20 0 FCADLP CCn1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767381 1253872122 /nfs/dbraw/zinc/87/21/22/1253872122.db2.gz QNOYZILOFVIZFM-JFIYKMOQSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029767381 1253872127 /nfs/dbraw/zinc/87/21/27/1253872127.db2.gz QNOYZILOFVIZFM-JFIYKMOQSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767381 1253872134 /nfs/dbraw/zinc/87/21/34/1253872134.db2.gz QNOYZILOFVIZFM-JFIYKMOQSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029767381 1253872142 /nfs/dbraw/zinc/87/21/42/1253872142.db2.gz QNOYZILOFVIZFM-JFIYKMOQSA-N 2 2 363.506 0.902 20 0 FCADLP CCc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767663 1253874008 /nfs/dbraw/zinc/87/40/08/1253874008.db2.gz XLCPGEDIWLBQOU-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP CCc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767663 1253874013 /nfs/dbraw/zinc/87/40/13/1253874013.db2.gz XLCPGEDIWLBQOU-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP CCc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767663 1253874021 /nfs/dbraw/zinc/87/40/21/1253874021.db2.gz XLCPGEDIWLBQOU-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP CCc1nnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767663 1253874028 /nfs/dbraw/zinc/87/40/28/1253874028.db2.gz XLCPGEDIWLBQOU-QLFBSQMISA-N 2 2 365.478 0.631 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001031684092 1253885094 /nfs/dbraw/zinc/88/50/94/1253885094.db2.gz GQBGNVVKOZLDJE-DLBZAZTESA-N 2 2 366.506 0.060 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001031684092 1253885107 /nfs/dbraw/zinc/88/51/07/1253885107.db2.gz GQBGNVVKOZLDJE-DLBZAZTESA-N 2 2 366.506 0.060 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765777 1253893476 /nfs/dbraw/zinc/89/34/76/1253893476.db2.gz PEQRKCTXVFHILG-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765777 1253893491 /nfs/dbraw/zinc/89/34/91/1253893491.db2.gz PEQRKCTXVFHILG-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994458 1253912491 /nfs/dbraw/zinc/91/24/91/1253912491.db2.gz ZBRAYCAHRFVQGX-SQNIBIBYSA-N 2 2 356.470 0.268 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)[C@@H](c2ccccc2)C1 ZINC001031994458 1253912508 /nfs/dbraw/zinc/91/25/08/1253912508.db2.gz ZBRAYCAHRFVQGX-SQNIBIBYSA-N 2 2 356.470 0.268 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C(N)=O)c2)CC[N@@H+]1C ZINC001032411808 1253918860 /nfs/dbraw/zinc/91/88/60/1253918860.db2.gz WWMBTTIDNXNLPK-XFKAJCMBSA-N 2 2 356.470 0.911 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C(N)=O)c2)CC[N@H+]1C ZINC001032411808 1253918869 /nfs/dbraw/zinc/91/88/69/1253918869.db2.gz WWMBTTIDNXNLPK-XFKAJCMBSA-N 2 2 356.470 0.911 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C(N)=O)c2)CC[NH+]1C ZINC001032411808 1253918874 /nfs/dbraw/zinc/91/88/74/1253918874.db2.gz WWMBTTIDNXNLPK-XFKAJCMBSA-N 2 2 356.470 0.911 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C(N)=O)c2)CC[NH+]1C ZINC001032411808 1253918884 /nfs/dbraw/zinc/91/88/84/1253918884.db2.gz WWMBTTIDNXNLPK-XFKAJCMBSA-N 2 2 356.470 0.911 20 0 FCADLP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185677 1253946665 /nfs/dbraw/zinc/94/66/65/1253946665.db2.gz OZGRAMDELFTRRK-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185677 1253946689 /nfs/dbraw/zinc/94/66/89/1253946689.db2.gz OZGRAMDELFTRRK-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033185677 1253946703 /nfs/dbraw/zinc/94/67/03/1253946703.db2.gz OZGRAMDELFTRRK-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033185677 1253946720 /nfs/dbraw/zinc/94/67/20/1253946720.db2.gz OZGRAMDELFTRRK-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185675 1253949634 /nfs/dbraw/zinc/94/96/34/1253949634.db2.gz OZGRAMDELFTRRK-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185675 1253949645 /nfs/dbraw/zinc/94/96/45/1253949645.db2.gz OZGRAMDELFTRRK-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033185675 1253949651 /nfs/dbraw/zinc/94/96/51/1253949651.db2.gz OZGRAMDELFTRRK-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033185675 1253949660 /nfs/dbraw/zinc/94/96/60/1253949660.db2.gz OZGRAMDELFTRRK-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001034676464 1254000513 /nfs/dbraw/zinc/00/05/13/1254000513.db2.gz YYVNWXHASUNVQG-UDUPFKKZSA-N 2 2 364.494 0.910 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001034676464 1254000515 /nfs/dbraw/zinc/00/05/15/1254000515.db2.gz YYVNWXHASUNVQG-UDUPFKKZSA-N 2 2 364.494 0.910 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001034736718 1254004568 /nfs/dbraw/zinc/00/45/68/1254004568.db2.gz JTWSZLWXGMCXOF-OXGONZEZSA-N 2 2 359.474 0.771 20 0 FCADLP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001519902858 1265796677 /nfs/dbraw/zinc/79/66/77/1265796677.db2.gz VJUQWUVTCSXBQA-DOTOQJQBSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001519902858 1265796681 /nfs/dbraw/zinc/79/66/81/1265796681.db2.gz VJUQWUVTCSXBQA-DOTOQJQBSA-N 2 2 355.527 0.373 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035799218 1254065099 /nfs/dbraw/zinc/06/50/99/1254065099.db2.gz YSGWLRHGUQHOCL-KFWWJZLASA-N 2 2 359.474 0.712 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C[NH+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001035798090 1254065157 /nfs/dbraw/zinc/06/51/57/1254065157.db2.gz JJUXIPXZPIXAGQ-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001059732553 1254112919 /nfs/dbraw/zinc/11/29/19/1254112919.db2.gz SRJVJYCDSOLDMW-BZUAXINKSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001059732553 1254112921 /nfs/dbraw/zinc/11/29/21/1254112921.db2.gz SRJVJYCDSOLDMW-BZUAXINKSA-N 2 2 361.490 0.956 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061678128 1254203687 /nfs/dbraw/zinc/20/36/87/1254203687.db2.gz PUBMOOIJRDZYFU-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061678128 1254203698 /nfs/dbraw/zinc/20/36/98/1254203698.db2.gz PUBMOOIJRDZYFU-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061678128 1254203718 /nfs/dbraw/zinc/20/37/18/1254203718.db2.gz PUBMOOIJRDZYFU-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061678128 1254203733 /nfs/dbraw/zinc/20/37/33/1254203733.db2.gz PUBMOOIJRDZYFU-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061829073 1254227114 /nfs/dbraw/zinc/22/71/14/1254227114.db2.gz JBBLUIQTLZAZJB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061829073 1254227125 /nfs/dbraw/zinc/22/71/25/1254227125.db2.gz JBBLUIQTLZAZJB-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001061933158 1254237618 /nfs/dbraw/zinc/23/76/18/1254237618.db2.gz QEHVRPKHHHUTQO-HRCADAONSA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001061933158 1254237631 /nfs/dbraw/zinc/23/76/31/1254237631.db2.gz QEHVRPKHHHUTQO-HRCADAONSA-N 2 2 363.462 0.026 20 0 FCADLP Cc1cc(N2CCO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc(C)[nH+]1 ZINC001063670627 1254373586 /nfs/dbraw/zinc/37/35/86/1254373586.db2.gz MUOYZTMDPBRRRV-VNQPRFMTSA-N 2 2 363.462 0.134 20 0 FCADLP Cc1cc(N2CCO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc(C)[nH+]1 ZINC001063670627 1254373597 /nfs/dbraw/zinc/37/35/97/1254373597.db2.gz MUOYZTMDPBRRRV-VNQPRFMTSA-N 2 2 363.462 0.134 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001064581392 1254447954 /nfs/dbraw/zinc/44/79/54/1254447954.db2.gz LLXKIYJVZVCGKG-RBSFLKMASA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001064581392 1254447971 /nfs/dbraw/zinc/44/79/71/1254447971.db2.gz LLXKIYJVZVCGKG-RBSFLKMASA-N 2 2 359.474 0.630 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065299016 1254509183 /nfs/dbraw/zinc/50/91/83/1254509183.db2.gz YHRRDJGQMFFRSQ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065299016 1254509194 /nfs/dbraw/zinc/50/91/94/1254509194.db2.gz YHRRDJGQMFFRSQ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065299016 1254509202 /nfs/dbraw/zinc/50/92/02/1254509202.db2.gz YHRRDJGQMFFRSQ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065299016 1254509214 /nfs/dbraw/zinc/50/92/14/1254509214.db2.gz YHRRDJGQMFFRSQ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001065351394 1254517957 /nfs/dbraw/zinc/51/79/57/1254517957.db2.gz XATJOUSCQUSSHB-SNUQEOBHSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001065351394 1254517964 /nfs/dbraw/zinc/51/79/64/1254517964.db2.gz XATJOUSCQUSSHB-SNUQEOBHSA-N 2 2 357.462 0.789 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)o1 ZINC001077567022 1254703622 /nfs/dbraw/zinc/70/36/22/1254703622.db2.gz XJYXNBGFIWXVLL-BFYDXBDKSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)o1 ZINC001077567022 1254703634 /nfs/dbraw/zinc/70/36/34/1254703634.db2.gz XJYXNBGFIWXVLL-BFYDXBDKSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)o1 ZINC001077567022 1254703650 /nfs/dbraw/zinc/70/36/50/1254703650.db2.gz XJYXNBGFIWXVLL-BFYDXBDKSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)o1 ZINC001077567022 1254703665 /nfs/dbraw/zinc/70/36/65/1254703665.db2.gz XJYXNBGFIWXVLL-BFYDXBDKSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cnccc3C)C[C@H]1O)CC2 ZINC001077583612 1254735451 /nfs/dbraw/zinc/73/54/51/1254735451.db2.gz DJNSPFURRFXGCN-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cnccc3C)C[C@H]1O)CC2 ZINC001077583612 1254735465 /nfs/dbraw/zinc/73/54/65/1254735465.db2.gz DJNSPFURRFXGCN-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675301 1254855042 /nfs/dbraw/zinc/85/50/42/1254855042.db2.gz IIIRRTRZFWAZPA-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675301 1254855056 /nfs/dbraw/zinc/85/50/56/1254855056.db2.gz IIIRRTRZFWAZPA-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675301 1254855073 /nfs/dbraw/zinc/85/50/73/1254855073.db2.gz IIIRRTRZFWAZPA-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675301 1254855089 /nfs/dbraw/zinc/85/50/89/1254855089.db2.gz IIIRRTRZFWAZPA-BMGDILEWSA-N 2 2 365.449 0.850 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680702 1254866955 /nfs/dbraw/zinc/86/69/55/1254866955.db2.gz SZQBAFYMCMGSKR-LBTNJELSSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680702 1254866963 /nfs/dbraw/zinc/86/69/63/1254866963.db2.gz SZQBAFYMCMGSKR-LBTNJELSSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680702 1254866968 /nfs/dbraw/zinc/86/69/68/1254866968.db2.gz SZQBAFYMCMGSKR-LBTNJELSSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680702 1254866974 /nfs/dbraw/zinc/86/69/74/1254866974.db2.gz SZQBAFYMCMGSKR-LBTNJELSSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680701 1254867663 /nfs/dbraw/zinc/86/76/63/1254867663.db2.gz SZQBAFYMCMGSKR-HBUWYVDXSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680701 1254867675 /nfs/dbraw/zinc/86/76/75/1254867675.db2.gz SZQBAFYMCMGSKR-HBUWYVDXSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680701 1254867682 /nfs/dbraw/zinc/86/76/82/1254867682.db2.gz SZQBAFYMCMGSKR-HBUWYVDXSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680701 1254867691 /nfs/dbraw/zinc/86/76/91/1254867691.db2.gz SZQBAFYMCMGSKR-HBUWYVDXSA-N 2 2 368.453 0.857 20 0 FCADLP C[NH+]1CCN(Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)CC1 ZINC001330004551 1265921944 /nfs/dbraw/zinc/92/19/44/1265921944.db2.gz RVPALEYUEHXEOC-SFHVURJKSA-N 2 2 361.490 0.222 20 0 FCADLP CN1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)CC1 ZINC001330004551 1265921950 /nfs/dbraw/zinc/92/19/50/1265921950.db2.gz RVPALEYUEHXEOC-SFHVURJKSA-N 2 2 361.490 0.222 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001077690846 1254887429 /nfs/dbraw/zinc/88/74/29/1254887429.db2.gz BBKACMKWPXDNMX-YWTNHNAXSA-N 2 2 370.453 0.764 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001077690846 1254887440 /nfs/dbraw/zinc/88/74/40/1254887440.db2.gz BBKACMKWPXDNMX-YWTNHNAXSA-N 2 2 370.453 0.764 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906324 1255087911 /nfs/dbraw/zinc/08/79/11/1255087911.db2.gz CBPQPAXXMRYHOZ-ZIAGYGMSSA-N 2 2 369.347 0.995 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077906324 1255087919 /nfs/dbraw/zinc/08/79/19/1255087919.db2.gz CBPQPAXXMRYHOZ-ZIAGYGMSSA-N 2 2 369.347 0.995 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)on1 ZINC001077975282 1255139262 /nfs/dbraw/zinc/13/92/62/1255139262.db2.gz IAYVGZRXILGBPQ-QZTJIDSGSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)on1 ZINC001077975282 1255139266 /nfs/dbraw/zinc/13/92/66/1255139266.db2.gz IAYVGZRXILGBPQ-QZTJIDSGSA-N 2 2 362.474 0.766 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078008800 1255165143 /nfs/dbraw/zinc/16/51/43/1255165143.db2.gz YFHPFMCDTYKSOK-QZTJIDSGSA-N 2 2 357.458 0.390 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078008800 1255165149 /nfs/dbraw/zinc/16/51/49/1255165149.db2.gz YFHPFMCDTYKSOK-QZTJIDSGSA-N 2 2 357.458 0.390 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012020 1255168646 /nfs/dbraw/zinc/16/86/46/1255168646.db2.gz RIXBPVRSSGSPRY-IAGOWNOFSA-N 2 2 363.433 0.075 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012020 1255168650 /nfs/dbraw/zinc/16/86/50/1255168650.db2.gz RIXBPVRSSGSPRY-IAGOWNOFSA-N 2 2 363.433 0.075 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1C ZINC001078182170 1255296694 /nfs/dbraw/zinc/29/66/94/1255296694.db2.gz IWRIIBRDYACCEC-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1C ZINC001078182170 1255296698 /nfs/dbraw/zinc/29/66/98/1255296698.db2.gz IWRIIBRDYACCEC-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182338 1255298732 /nfs/dbraw/zinc/29/87/32/1255298732.db2.gz QCHGDIUIBPKFLH-IAGOWNOFSA-N 2 2 360.462 0.639 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182338 1255298736 /nfs/dbraw/zinc/29/87/36/1255298736.db2.gz QCHGDIUIBPKFLH-IAGOWNOFSA-N 2 2 360.462 0.639 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001078182520 1255298809 /nfs/dbraw/zinc/29/88/09/1255298809.db2.gz ZDEQBHXOYUCUBZ-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001078182520 1255298814 /nfs/dbraw/zinc/29/88/14/1255298814.db2.gz ZDEQBHXOYUCUBZ-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210210 1255325443 /nfs/dbraw/zinc/32/54/43/1255325443.db2.gz ZELPQMQZAWDHOY-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210210 1255325448 /nfs/dbraw/zinc/32/54/48/1255325448.db2.gz ZELPQMQZAWDHOY-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210210 1255325454 /nfs/dbraw/zinc/32/54/54/1255325454.db2.gz ZELPQMQZAWDHOY-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2O)C1 ZINC001078210210 1255325459 /nfs/dbraw/zinc/32/54/59/1255325459.db2.gz ZELPQMQZAWDHOY-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078222683 1255333117 /nfs/dbraw/zinc/33/31/17/1255333117.db2.gz MNNTVCFTWFLTKJ-QZTJIDSGSA-N 2 2 357.458 0.457 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272205 1255375350 /nfs/dbraw/zinc/37/53/50/1255375350.db2.gz MPOAZPVVWHVLIZ-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272205 1255375359 /nfs/dbraw/zinc/37/53/59/1255375359.db2.gz MPOAZPVVWHVLIZ-IAGOWNOFSA-N 2 2 358.442 0.740 20 0 FCADLP CC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001079165936 1255464327 /nfs/dbraw/zinc/46/43/27/1255464327.db2.gz MVHFHGWYBQGRBP-IAGOWNOFSA-N 2 2 361.490 0.974 20 0 FCADLP C[C@H](O)C[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239169 1255482856 /nfs/dbraw/zinc/48/28/56/1255482856.db2.gz GPQFUBGINLSXRO-HRCADAONSA-N 2 2 362.474 0.663 20 0 FCADLP COC[C@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263213 1255493160 /nfs/dbraw/zinc/49/31/60/1255493160.db2.gz NZIIWZFDIAGENQ-BHYGNILZSA-N 2 2 362.474 0.927 20 0 FCADLP CCN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001079807111 1255613770 /nfs/dbraw/zinc/61/37/70/1255613770.db2.gz KMGKHVUIFBJERD-HZPDHXFCSA-N 2 2 359.474 0.679 20 0 FCADLP CCN(C(=O)Cn1cc[nH+]c1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001079808468 1255615230 /nfs/dbraw/zinc/61/52/30/1255615230.db2.gz RRHNXFRHTDBXNW-HZPDHXFCSA-N 2 2 370.457 0.788 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079990550 1255695807 /nfs/dbraw/zinc/69/58/07/1255695807.db2.gz HJLIDMAJUKJGEQ-BFYDXBDKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079990550 1255695813 /nfs/dbraw/zinc/69/58/13/1255695813.db2.gz HJLIDMAJUKJGEQ-BFYDXBDKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991544 1255696039 /nfs/dbraw/zinc/69/60/39/1255696039.db2.gz LOFUWFFXBVQDGP-DJIMGWMZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991544 1255696046 /nfs/dbraw/zinc/69/60/46/1255696046.db2.gz LOFUWFFXBVQDGP-DJIMGWMZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991593 1255696725 /nfs/dbraw/zinc/69/67/25/1255696725.db2.gz MXUYWOHYMXUFMB-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991593 1255696730 /nfs/dbraw/zinc/69/67/30/1255696730.db2.gz MXUYWOHYMXUFMB-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079990891 1255697149 /nfs/dbraw/zinc/69/71/49/1255697149.db2.gz OLLKHDCDIHKTRN-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079990891 1255697156 /nfs/dbraw/zinc/69/71/56/1255697156.db2.gz OLLKHDCDIHKTRN-OWCLPIDISA-N 2 2 359.474 0.504 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001080012925 1255707095 /nfs/dbraw/zinc/70/70/95/1255707095.db2.gz PKKUCBRQCCRCPS-HUUCEWRRSA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001080012925 1255707099 /nfs/dbraw/zinc/70/70/99/1255707099.db2.gz PKKUCBRQCCRCPS-HUUCEWRRSA-N 2 2 359.474 0.914 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679509 1255984963 /nfs/dbraw/zinc/98/49/63/1255984963.db2.gz IPSCFGBICNEHRS-CKEIUWERSA-N 2 2 370.457 0.794 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679509 1255984972 /nfs/dbraw/zinc/98/49/72/1255984972.db2.gz IPSCFGBICNEHRS-CKEIUWERSA-N 2 2 370.457 0.794 20 0 FCADLP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038164 1256156442 /nfs/dbraw/zinc/15/64/42/1256156442.db2.gz QKYDBZLNLJXLQR-ZIAGYGMSSA-N 2 2 360.466 0.304 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038164 1256156448 /nfs/dbraw/zinc/15/64/48/1256156448.db2.gz QKYDBZLNLJXLQR-ZIAGYGMSSA-N 2 2 360.466 0.304 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036046 1256156543 /nfs/dbraw/zinc/15/65/43/1256156543.db2.gz JIHHZGVLQUHBNE-CZUORRHYSA-N 2 2 353.430 0.802 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036046 1256156548 /nfs/dbraw/zinc/15/65/48/1256156548.db2.gz JIHHZGVLQUHBNE-CZUORRHYSA-N 2 2 353.430 0.802 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1)C(N)=O ZINC001081152085 1256192313 /nfs/dbraw/zinc/19/23/13/1256192313.db2.gz ZOADSXOWVPNVNP-BHYGNILZSA-N 2 2 369.469 0.811 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081189409 1256201050 /nfs/dbraw/zinc/20/10/50/1256201050.db2.gz UBJDKUKHFUVNQP-YESZJQIVSA-N 2 2 353.426 0.425 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001081203332 1256205199 /nfs/dbraw/zinc/20/51/99/1256205199.db2.gz FDGVJGLKMRGIMB-YESZJQIVSA-N 2 2 367.453 0.815 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1)C(N)=O ZINC001081204631 1256206418 /nfs/dbraw/zinc/20/64/18/1256206418.db2.gz AYMMRUKKEFNVFR-ARFHVFGLSA-N 2 2 355.442 0.800 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081435215 1256256535 /nfs/dbraw/zinc/25/65/35/1256256535.db2.gz NARBPVDKABTIPJ-BRWVUGGUSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081435215 1256256540 /nfs/dbraw/zinc/25/65/40/1256256540.db2.gz NARBPVDKABTIPJ-BRWVUGGUSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081435215 1256256545 /nfs/dbraw/zinc/25/65/45/1256256545.db2.gz NARBPVDKABTIPJ-BRWVUGGUSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081435215 1256256551 /nfs/dbraw/zinc/25/65/51/1256256551.db2.gz NARBPVDKABTIPJ-BRWVUGGUSA-N 2 2 361.490 0.557 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481507 1256271938 /nfs/dbraw/zinc/27/19/38/1256271938.db2.gz KXIJEKPUCICQKJ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481507 1256271941 /nfs/dbraw/zinc/27/19/41/1256271941.db2.gz KXIJEKPUCICQKJ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481507 1256271946 /nfs/dbraw/zinc/27/19/46/1256271946.db2.gz KXIJEKPUCICQKJ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)ccc2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481507 1256271951 /nfs/dbraw/zinc/27/19/51/1256271951.db2.gz KXIJEKPUCICQKJ-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081672668 1256329080 /nfs/dbraw/zinc/32/90/80/1256329080.db2.gz FBRMRGLYDBIXDS-KZNAEPCWSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081672668 1256329084 /nfs/dbraw/zinc/32/90/84/1256329084.db2.gz FBRMRGLYDBIXDS-KZNAEPCWSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670242 1256329106 /nfs/dbraw/zinc/32/91/06/1256329106.db2.gz KWAKZACGOYVOFH-KZNAEPCWSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670242 1256329111 /nfs/dbraw/zinc/32/91/11/1256329111.db2.gz KWAKZACGOYVOFH-KZNAEPCWSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799355 1256377771 /nfs/dbraw/zinc/37/77/71/1256377771.db2.gz MVIYKONXCFKBKK-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001081799355 1256377776 /nfs/dbraw/zinc/37/77/76/1256377776.db2.gz MVIYKONXCFKBKK-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001081799355 1256377783 /nfs/dbraw/zinc/37/77/83/1256377783.db2.gz MVIYKONXCFKBKK-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001081799355 1256377791 /nfs/dbraw/zinc/37/77/91/1256377791.db2.gz MVIYKONXCFKBKK-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799419 1256378507 /nfs/dbraw/zinc/37/85/07/1256378507.db2.gz PCTXDYYCPCVKAS-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799419 1256378513 /nfs/dbraw/zinc/37/85/13/1256378513.db2.gz PCTXDYYCPCVKAS-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799419 1256378520 /nfs/dbraw/zinc/37/85/20/1256378520.db2.gz PCTXDYYCPCVKAS-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799419 1256378529 /nfs/dbraw/zinc/37/85/29/1256378529.db2.gz PCTXDYYCPCVKAS-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@H](OC)C2)cn1 ZINC001081857136 1256414253 /nfs/dbraw/zinc/41/42/53/1256414253.db2.gz YPRODBAYHUXDFK-FGTMMUONSA-N 2 2 363.506 0.745 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@H](OC)C2)cn1 ZINC001081857136 1256414255 /nfs/dbraw/zinc/41/42/55/1256414255.db2.gz YPRODBAYHUXDFK-FGTMMUONSA-N 2 2 363.506 0.745 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@H](OC)C2)cn1 ZINC001081857136 1256414257 /nfs/dbraw/zinc/41/42/57/1256414257.db2.gz YPRODBAYHUXDFK-FGTMMUONSA-N 2 2 363.506 0.745 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@H](OC)C2)cn1 ZINC001081857136 1256414261 /nfs/dbraw/zinc/41/42/61/1256414261.db2.gz YPRODBAYHUXDFK-FGTMMUONSA-N 2 2 363.506 0.745 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081857130 1256414786 /nfs/dbraw/zinc/41/47/86/1256414786.db2.gz YOJPCVTYHNEVJI-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081857130 1256414788 /nfs/dbraw/zinc/41/47/88/1256414788.db2.gz YOJPCVTYHNEVJI-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081857130 1256414791 /nfs/dbraw/zinc/41/47/91/1256414791.db2.gz YOJPCVTYHNEVJI-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081857130 1256414795 /nfs/dbraw/zinc/41/47/95/1256414795.db2.gz YOJPCVTYHNEVJI-CEXWTWQISA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948307 1256467822 /nfs/dbraw/zinc/46/78/22/1256467822.db2.gz TYBKQHZSIGBOGV-OWCLPIDISA-N 2 2 357.414 0.042 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948307 1256467830 /nfs/dbraw/zinc/46/78/30/1256467830.db2.gz TYBKQHZSIGBOGV-OWCLPIDISA-N 2 2 357.414 0.042 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948322 1256467996 /nfs/dbraw/zinc/46/79/96/1256467996.db2.gz UKXKOZHZIUYVKL-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948322 1256467998 /nfs/dbraw/zinc/46/79/98/1256467998.db2.gz UKXKOZHZIUYVKL-IXDOHACOSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018793 1256499207 /nfs/dbraw/zinc/49/92/07/1256499207.db2.gz VDVFDPBPUINWJW-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018793 1256499209 /nfs/dbraw/zinc/49/92/09/1256499209.db2.gz VDVFDPBPUINWJW-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057788 1256514950 /nfs/dbraw/zinc/51/49/50/1256514950.db2.gz DDQITTABQAPPTF-OIISXLGYSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057788 1256514955 /nfs/dbraw/zinc/51/49/55/1256514955.db2.gz DDQITTABQAPPTF-OIISXLGYSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057788 1256514959 /nfs/dbraw/zinc/51/49/59/1256514959.db2.gz DDQITTABQAPPTF-OIISXLGYSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082057788 1256514964 /nfs/dbraw/zinc/51/49/64/1256514964.db2.gz DDQITTABQAPPTF-OIISXLGYSA-N 2 2 366.462 0.408 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200985 1256587623 /nfs/dbraw/zinc/58/76/23/1256587623.db2.gz DDPZYVJEVOZDEI-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082200985 1256587627 /nfs/dbraw/zinc/58/76/27/1256587627.db2.gz DDPZYVJEVOZDEI-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291500 1256636343 /nfs/dbraw/zinc/63/63/43/1256636343.db2.gz VPFXQDLJWHOZPB-USXIJHARSA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001082291500 1256636346 /nfs/dbraw/zinc/63/63/46/1256636346.db2.gz VPFXQDLJWHOZPB-USXIJHARSA-N 2 2 368.522 0.399 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)c1 ZINC001082326273 1256666129 /nfs/dbraw/zinc/66/61/29/1256666129.db2.gz WKAUUVNAMAUGJU-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H](OC)C2)c1 ZINC001082326273 1256666137 /nfs/dbraw/zinc/66/61/37/1256666137.db2.gz WKAUUVNAMAUGJU-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)c1 ZINC001082326273 1256666143 /nfs/dbraw/zinc/66/61/43/1256666143.db2.gz WKAUUVNAMAUGJU-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)c1 ZINC001082326273 1256666150 /nfs/dbraw/zinc/66/61/50/1256666150.db2.gz WKAUUVNAMAUGJU-ZTFGCOKTSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082326422 1256667189 /nfs/dbraw/zinc/66/71/89/1256667189.db2.gz CAACTXVQULIWAB-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H](OC)C2)n1 ZINC001082326422 1256667192 /nfs/dbraw/zinc/66/71/92/1256667192.db2.gz CAACTXVQULIWAB-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H](OC)C2)n1 ZINC001082326422 1256667203 /nfs/dbraw/zinc/66/72/03/1256667203.db2.gz CAACTXVQULIWAB-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H](OC)C2)n1 ZINC001082326422 1256667208 /nfs/dbraw/zinc/66/72/08/1256667208.db2.gz CAACTXVQULIWAB-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326694 1256669060 /nfs/dbraw/zinc/66/90/60/1256669060.db2.gz NRTBLUZYSWLVRO-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326694 1256669063 /nfs/dbraw/zinc/66/90/63/1256669063.db2.gz NRTBLUZYSWLVRO-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326694 1256669065 /nfs/dbraw/zinc/66/90/65/1256669065.db2.gz NRTBLUZYSWLVRO-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326694 1256669071 /nfs/dbraw/zinc/66/90/71/1256669071.db2.gz NRTBLUZYSWLVRO-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)ccn1 ZINC001082328173 1256670033 /nfs/dbraw/zinc/67/00/33/1256670033.db2.gz HJMCWEWVRVCFSR-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)ccn1 ZINC001082328173 1256670036 /nfs/dbraw/zinc/67/00/36/1256670036.db2.gz HJMCWEWVRVCFSR-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCCC1 ZINC001082327741 1256670052 /nfs/dbraw/zinc/67/00/52/1256670052.db2.gz MGWQEEJLTJHKBS-FGTMMUONSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1)C1CCCC1 ZINC001082327741 1256670054 /nfs/dbraw/zinc/67/00/54/1256670054.db2.gz MGWQEEJLTJHKBS-FGTMMUONSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371008 1256720637 /nfs/dbraw/zinc/72/06/37/1256720637.db2.gz OFFIZQZVZJRCLI-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371008 1256720640 /nfs/dbraw/zinc/72/06/40/1256720640.db2.gz OFFIZQZVZJRCLI-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371545 1256721145 /nfs/dbraw/zinc/72/11/45/1256721145.db2.gz OHQJUXDBJHOIII-IAGOWNOFSA-N 2 2 370.413 0.743 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371545 1256721147 /nfs/dbraw/zinc/72/11/47/1256721147.db2.gz OHQJUXDBJHOIII-IAGOWNOFSA-N 2 2 370.413 0.743 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+][C@H]4CCC(=O)NC4=O)C3)ccn12 ZINC001082511583 1256797169 /nfs/dbraw/zinc/79/71/69/1256797169.db2.gz DRAGOLPKORDMPA-BYCMXARLSA-N 2 2 369.425 0.498 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082570733 1256877692 /nfs/dbraw/zinc/87/76/92/1256877692.db2.gz WUYOGSOPEKONEX-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082570733 1256877704 /nfs/dbraw/zinc/87/77/04/1256877704.db2.gz WUYOGSOPEKONEX-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082572415 1256880261 /nfs/dbraw/zinc/88/02/61/1256880261.db2.gz BFJPWHUQQCVZEJ-DNNBLBMLSA-N 2 2 355.442 0.849 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082572415 1256880273 /nfs/dbraw/zinc/88/02/73/1256880273.db2.gz BFJPWHUQQCVZEJ-DNNBLBMLSA-N 2 2 355.442 0.849 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)c[nH+]1 ZINC001082588690 1256901955 /nfs/dbraw/zinc/90/19/55/1256901955.db2.gz KCWJVAQIENUXPZ-KWCYVHTRSA-N 2 2 361.446 0.168 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001082590673 1256904112 /nfs/dbraw/zinc/90/41/12/1256904112.db2.gz IYTGXSSFPGLIOK-GDBMZVCRSA-N 2 2 360.458 0.692 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)n1 ZINC001082596184 1256908345 /nfs/dbraw/zinc/90/83/45/1256908345.db2.gz ZDLPSNDWHCIAIR-KFWWJZLASA-N 2 2 365.478 0.679 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C)n1 ZINC001082596184 1256908348 /nfs/dbraw/zinc/90/83/48/1256908348.db2.gz ZDLPSNDWHCIAIR-KFWWJZLASA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082604355 1256916034 /nfs/dbraw/zinc/91/60/34/1256916034.db2.gz MFWYLEWXEMYOFW-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)C1=O ZINC001082608874 1256919025 /nfs/dbraw/zinc/91/90/25/1256919025.db2.gz DLUQCIJMQJZAOK-IVMMDQJWSA-N 2 2 363.462 0.407 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001082608973 1256919755 /nfs/dbraw/zinc/91/97/55/1256919755.db2.gz KKKYTRYKYFQUOR-MLGOLLRUSA-N 2 2 361.450 0.598 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653574 1256956996 /nfs/dbraw/zinc/95/69/96/1256956996.db2.gz RSMMHNYJOKAOJE-AUKIWBJVSA-N 2 2 361.446 0.178 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653574 1256957002 /nfs/dbraw/zinc/95/70/02/1256957002.db2.gz RSMMHNYJOKAOJE-AUKIWBJVSA-N 2 2 361.446 0.178 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001082664036 1256966625 /nfs/dbraw/zinc/96/66/25/1256966625.db2.gz SJRCGPSTCBIIDC-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001082664036 1256966630 /nfs/dbraw/zinc/96/66/30/1256966630.db2.gz SJRCGPSTCBIIDC-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001082663883 1256966857 /nfs/dbraw/zinc/96/68/57/1256966857.db2.gz KCXNFTPXAPQKFM-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001082663883 1256966861 /nfs/dbraw/zinc/96/68/61/1256966861.db2.gz KCXNFTPXAPQKFM-NXHRZFHOSA-N 2 2 363.506 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001082673583 1256972400 /nfs/dbraw/zinc/97/24/00/1256972400.db2.gz YUPKYXWNJCBUNH-UKRRQHHQSA-N 2 2 369.429 0.246 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)on1 ZINC001082703182 1256995358 /nfs/dbraw/zinc/99/53/58/1256995358.db2.gz BWAJOYNBLMEGKO-FVQBIDKESA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)on1 ZINC001082703182 1256995361 /nfs/dbraw/zinc/99/53/61/1256995361.db2.gz BWAJOYNBLMEGKO-FVQBIDKESA-N 2 2 366.462 0.729 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082856369 1257106501 /nfs/dbraw/zinc/10/65/01/1257106501.db2.gz FHHUKNJXEPZJAE-XNRPHZJLSA-N 2 2 354.414 0.206 20 0 FCADLP COc1coc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cc1=O ZINC001082860706 1257112058 /nfs/dbraw/zinc/11/20/58/1257112058.db2.gz HGOVAIWZXOQBEA-IUODEOHRSA-N 2 2 360.414 0.561 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001082884732 1257123431 /nfs/dbraw/zinc/12/34/31/1257123431.db2.gz CKRYNTLXDGHAIX-SJKOYZFVSA-N 2 2 355.442 0.996 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001082884966 1257123673 /nfs/dbraw/zinc/12/36/73/1257123673.db2.gz VTXHBIOBQPRGQV-SJKOYZFVSA-N 2 2 357.462 0.899 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001082893284 1257129685 /nfs/dbraw/zinc/12/96/85/1257129685.db2.gz ZCDMMJAILYEQFQ-CZUORRHYSA-N 2 2 359.478 0.909 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001082922387 1257146953 /nfs/dbraw/zinc/14/69/53/1257146953.db2.gz AKQJRBHIKQDJKZ-IUODEOHRSA-N 2 2 357.462 0.834 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933912 1257154518 /nfs/dbraw/zinc/15/45/18/1257154518.db2.gz OQDQGODLYFTEMC-BZUAXINKSA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933912 1257154520 /nfs/dbraw/zinc/15/45/20/1257154520.db2.gz OQDQGODLYFTEMC-BZUAXINKSA-N 2 2 364.494 0.345 20 0 FCADLP CC(=O)N(C(=O)C(=O)N1CCn2c[nH+]cc2C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001330781098 1266098722 /nfs/dbraw/zinc/09/87/22/1266098722.db2.gz YUBFRIRHHBHNFY-UHFFFAOYSA-N 2 2 367.409 0.451 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089789 1257291408 /nfs/dbraw/zinc/29/14/08/1257291408.db2.gz UQLLIHWRTRFOKF-BHYGNILZSA-N 2 2 362.474 0.708 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC001083089789 1257291414 /nfs/dbraw/zinc/29/14/14/1257291414.db2.gz UQLLIHWRTRFOKF-BHYGNILZSA-N 2 2 362.474 0.708 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106539 1257321806 /nfs/dbraw/zinc/32/18/06/1257321806.db2.gz IUNLLMVBYVRUKW-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106539 1257321815 /nfs/dbraw/zinc/32/18/15/1257321815.db2.gz IUNLLMVBYVRUKW-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106539 1257321821 /nfs/dbraw/zinc/32/18/21/1257321821.db2.gz IUNLLMVBYVRUKW-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106539 1257321829 /nfs/dbraw/zinc/32/18/29/1257321829.db2.gz IUNLLMVBYVRUKW-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]32)no1 ZINC001083126735 1257366571 /nfs/dbraw/zinc/36/65/71/1257366571.db2.gz HXMANAGLRQDDRN-XOKHGSTOSA-N 2 2 364.446 0.298 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)no1 ZINC001083126735 1257366580 /nfs/dbraw/zinc/36/65/80/1257366580.db2.gz HXMANAGLRQDDRN-XOKHGSTOSA-N 2 2 364.446 0.298 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001083151598 1257407179 /nfs/dbraw/zinc/40/71/79/1257407179.db2.gz HWHHUHVSDGDMLT-IXDOHACOSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001083151598 1257407192 /nfs/dbraw/zinc/40/71/92/1257407192.db2.gz HWHHUHVSDGDMLT-IXDOHACOSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)cc1=O ZINC001083157067 1257414381 /nfs/dbraw/zinc/41/43/81/1257414381.db2.gz CCDRLPDHHSSTNH-DLBZAZTESA-N 2 2 371.441 0.084 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)cc1=O ZINC001083157067 1257414383 /nfs/dbraw/zinc/41/43/83/1257414383.db2.gz CCDRLPDHHSSTNH-DLBZAZTESA-N 2 2 371.441 0.084 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172920 1257432522 /nfs/dbraw/zinc/43/25/22/1257432522.db2.gz JFDGXUAXNVLJPF-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172920 1257432527 /nfs/dbraw/zinc/43/25/27/1257432527.db2.gz JFDGXUAXNVLJPF-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172920 1257432530 /nfs/dbraw/zinc/43/25/30/1257432530.db2.gz JFDGXUAXNVLJPF-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]32)C1 ZINC001083172920 1257432532 /nfs/dbraw/zinc/43/25/32/1257432532.db2.gz JFDGXUAXNVLJPF-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001083645430 1257464549 /nfs/dbraw/zinc/46/45/49/1257464549.db2.gz ZYZIUBSJDHKHGT-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001083645430 1257464555 /nfs/dbraw/zinc/46/45/55/1257464555.db2.gz ZYZIUBSJDHKHGT-ZACQAIPSSA-N 2 2 362.405 0.226 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779566 1257522094 /nfs/dbraw/zinc/52/20/94/1257522094.db2.gz IIIRRTRZFWAZPA-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779566 1257522097 /nfs/dbraw/zinc/52/20/97/1257522097.db2.gz IIIRRTRZFWAZPA-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779566 1257522103 /nfs/dbraw/zinc/52/21/03/1257522103.db2.gz IIIRRTRZFWAZPA-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779566 1257522107 /nfs/dbraw/zinc/52/21/07/1257522107.db2.gz IIIRRTRZFWAZPA-OLMNPRSZSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781472 1257525094 /nfs/dbraw/zinc/52/50/94/1257525094.db2.gz IYTJVNCARZWRAG-JLZZUVOBSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781472 1257525099 /nfs/dbraw/zinc/52/50/99/1257525099.db2.gz IYTJVNCARZWRAG-JLZZUVOBSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781472 1257525103 /nfs/dbraw/zinc/52/51/03/1257525103.db2.gz IYTJVNCARZWRAG-JLZZUVOBSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2O)C1 ZINC001083781472 1257525112 /nfs/dbraw/zinc/52/51/12/1257525112.db2.gz IYTJVNCARZWRAG-JLZZUVOBSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781788 1257526866 /nfs/dbraw/zinc/52/68/66/1257526866.db2.gz VXJKFIZXZKHZID-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781788 1257526870 /nfs/dbraw/zinc/52/68/70/1257526870.db2.gz VXJKFIZXZKHZID-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781788 1257526878 /nfs/dbraw/zinc/52/68/78/1257526878.db2.gz VXJKFIZXZKHZID-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083781788 1257526883 /nfs/dbraw/zinc/52/68/83/1257526883.db2.gz VXJKFIZXZKHZID-QGTPRVQTSA-N 2 2 365.449 0.708 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083782784 1257529187 /nfs/dbraw/zinc/52/91/87/1257529187.db2.gz LORHGLKWNNQDLN-SJORKVTESA-N 2 2 363.506 0.393 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083782784 1257529191 /nfs/dbraw/zinc/52/91/91/1257529191.db2.gz LORHGLKWNNQDLN-SJORKVTESA-N 2 2 363.506 0.393 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083782784 1257529196 /nfs/dbraw/zinc/52/91/96/1257529196.db2.gz LORHGLKWNNQDLN-SJORKVTESA-N 2 2 363.506 0.393 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)n1 ZINC001083782784 1257529199 /nfs/dbraw/zinc/52/91/99/1257529199.db2.gz LORHGLKWNNQDLN-SJORKVTESA-N 2 2 363.506 0.393 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083825919 1257576767 /nfs/dbraw/zinc/57/67/67/1257576767.db2.gz QKVMGSHFSNYRLN-CVEARBPZSA-N 2 2 360.462 0.144 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083825919 1257576773 /nfs/dbraw/zinc/57/67/73/1257576773.db2.gz QKVMGSHFSNYRLN-CVEARBPZSA-N 2 2 360.462 0.144 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832997 1257587038 /nfs/dbraw/zinc/58/70/38/1257587038.db2.gz DWDHTYTTXJOVNV-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832997 1257587042 /nfs/dbraw/zinc/58/70/42/1257587042.db2.gz DWDHTYTTXJOVNV-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832997 1257587049 /nfs/dbraw/zinc/58/70/49/1257587049.db2.gz DWDHTYTTXJOVNV-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832997 1257587053 /nfs/dbraw/zinc/58/70/53/1257587053.db2.gz DWDHTYTTXJOVNV-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001330988995 1266127612 /nfs/dbraw/zinc/12/76/12/1266127612.db2.gz KXMURVOUZQSMIA-QGZVFWFLSA-N 2 2 357.458 0.341 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001330988995 1266127615 /nfs/dbraw/zinc/12/76/15/1266127615.db2.gz KXMURVOUZQSMIA-QGZVFWFLSA-N 2 2 357.458 0.341 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915419 1257697533 /nfs/dbraw/zinc/69/75/33/1257697533.db2.gz PZXXREVUYGVXKG-NXHRZFHOSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001083915419 1257697538 /nfs/dbraw/zinc/69/75/38/1257697538.db2.gz PZXXREVUYGVXKG-NXHRZFHOSA-N 2 2 371.441 0.611 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937208 1257723208 /nfs/dbraw/zinc/72/32/08/1257723208.db2.gz QZCOBTPCORWETG-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937208 1257723213 /nfs/dbraw/zinc/72/32/13/1257723213.db2.gz QZCOBTPCORWETG-MSOLQXFVSA-N 2 2 362.474 0.766 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001083938392 1257724485 /nfs/dbraw/zinc/72/44/85/1257724485.db2.gz BXEIEYBQUCUBPX-SQNIBIBYSA-N 2 2 363.506 0.736 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001083938392 1257724489 /nfs/dbraw/zinc/72/44/89/1257724489.db2.gz BXEIEYBQUCUBPX-SQNIBIBYSA-N 2 2 363.506 0.736 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001083952291 1257740473 /nfs/dbraw/zinc/74/04/73/1257740473.db2.gz FYAVSDISZJPLKX-UAGQMJEPSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1F ZINC001083952291 1257740481 /nfs/dbraw/zinc/74/04/81/1257740481.db2.gz FYAVSDISZJPLKX-UAGQMJEPSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1F ZINC001083952291 1257740485 /nfs/dbraw/zinc/74/04/85/1257740485.db2.gz FYAVSDISZJPLKX-UAGQMJEPSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1F ZINC001083952291 1257740494 /nfs/dbraw/zinc/74/04/94/1257740494.db2.gz FYAVSDISZJPLKX-UAGQMJEPSA-N 2 2 365.449 0.837 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)c1ccccc1 ZINC001083954331 1257743052 /nfs/dbraw/zinc/74/30/52/1257743052.db2.gz UYNWQRFLUQZJFD-SQNIBIBYSA-N 2 2 358.442 0.512 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)c1ccccc1 ZINC001083954331 1257743060 /nfs/dbraw/zinc/74/30/60/1257743060.db2.gz UYNWQRFLUQZJFD-SQNIBIBYSA-N 2 2 358.442 0.512 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083955044 1257744948 /nfs/dbraw/zinc/74/49/48/1257744948.db2.gz UQTKGDRQIWZYNP-MSOLQXFVSA-N 2 2 358.442 0.375 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083955044 1257744955 /nfs/dbraw/zinc/74/49/55/1257744955.db2.gz UQTKGDRQIWZYNP-MSOLQXFVSA-N 2 2 358.442 0.375 20 0 FCADLP COc1ccc(C)cc1C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060384 1257879277 /nfs/dbraw/zinc/87/92/77/1257879277.db2.gz WDAUHKXVEXMIDS-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C)cc1C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060384 1257879288 /nfs/dbraw/zinc/87/92/88/1257879288.db2.gz WDAUHKXVEXMIDS-SJORKVTESA-N 2 2 358.442 0.870 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078071 1257905059 /nfs/dbraw/zinc/90/50/59/1257905059.db2.gz MFZKXSOFMHCHOQ-SQNIBIBYSA-N 2 2 365.449 0.538 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078071 1257905060 /nfs/dbraw/zinc/90/50/60/1257905060.db2.gz MFZKXSOFMHCHOQ-SQNIBIBYSA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078071 1257905063 /nfs/dbraw/zinc/90/50/63/1257905063.db2.gz MFZKXSOFMHCHOQ-SQNIBIBYSA-N 2 2 365.449 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001084078071 1257905068 /nfs/dbraw/zinc/90/50/68/1257905068.db2.gz MFZKXSOFMHCHOQ-SQNIBIBYSA-N 2 2 365.449 0.538 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001084230711 1257977854 /nfs/dbraw/zinc/97/78/54/1257977854.db2.gz DZMNDKVJZDYTRP-KZNAEPCWSA-N 2 2 362.518 0.872 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001084230711 1257977859 /nfs/dbraw/zinc/97/78/59/1257977859.db2.gz DZMNDKVJZDYTRP-KZNAEPCWSA-N 2 2 362.518 0.872 20 0 FCADLP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001084230711 1257977864 /nfs/dbraw/zinc/97/78/64/1257977864.db2.gz DZMNDKVJZDYTRP-KZNAEPCWSA-N 2 2 362.518 0.872 20 0 FCADLP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC001084230711 1257977867 /nfs/dbraw/zinc/97/78/67/1257977867.db2.gz DZMNDKVJZDYTRP-KZNAEPCWSA-N 2 2 362.518 0.872 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001084349346 1258043443 /nfs/dbraw/zinc/04/34/43/1258043443.db2.gz HYMZCFRFTONAIY-KBAYOESNSA-N 2 2 371.485 0.860 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001084349346 1258043452 /nfs/dbraw/zinc/04/34/52/1258043452.db2.gz HYMZCFRFTONAIY-KBAYOESNSA-N 2 2 371.485 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC001084354807 1258047372 /nfs/dbraw/zinc/04/73/72/1258047372.db2.gz WEKULZCOGAZFGV-JOCBIADPSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CCCC4)C[C@H]32)CC[N@H+]1C ZINC001084354807 1258047380 /nfs/dbraw/zinc/04/73/80/1258047380.db2.gz WEKULZCOGAZFGV-JOCBIADPSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC001084354807 1258047385 /nfs/dbraw/zinc/04/73/85/1258047385.db2.gz WEKULZCOGAZFGV-JOCBIADPSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)CC[NH+]1C ZINC001084354807 1258047389 /nfs/dbraw/zinc/04/73/89/1258047389.db2.gz WEKULZCOGAZFGV-JOCBIADPSA-N 2 2 362.518 0.918 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1)NC1CC1 ZINC001084444889 1258117338 /nfs/dbraw/zinc/11/73/38/1258117338.db2.gz JENKDZHKVKEVCX-NVXWUHKLSA-N 2 2 360.502 0.674 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1)NC1CC1 ZINC001084444889 1258117341 /nfs/dbraw/zinc/11/73/41/1258117341.db2.gz JENKDZHKVKEVCX-NVXWUHKLSA-N 2 2 360.502 0.674 20 0 FCADLP Cc1c(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)ccc2c[nH+]cn21 ZINC001084472432 1258124058 /nfs/dbraw/zinc/12/40/58/1258124058.db2.gz IHYSXCRHHVRFGD-KBRIMQKVSA-N 2 2 353.426 0.678 20 0 FCADLP Cc1c(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)ccc2c[nH+]cn21 ZINC001084472432 1258124062 /nfs/dbraw/zinc/12/40/62/1258124062.db2.gz IHYSXCRHHVRFGD-KBRIMQKVSA-N 2 2 353.426 0.678 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1)C1CC1 ZINC001084484209 1258128331 /nfs/dbraw/zinc/12/83/31/1258128331.db2.gz JAJUKJDWPVMPRI-NVXWUHKLSA-N 2 2 360.502 0.768 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1)C1CC1 ZINC001084484209 1258128334 /nfs/dbraw/zinc/12/83/34/1258128334.db2.gz JAJUKJDWPVMPRI-NVXWUHKLSA-N 2 2 360.502 0.768 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084544894 1258163012 /nfs/dbraw/zinc/16/30/12/1258163012.db2.gz LPYTWTZGKJYXKM-SJLPKXTDSA-N 2 2 358.486 0.683 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084544894 1258163016 /nfs/dbraw/zinc/16/30/16/1258163016.db2.gz LPYTWTZGKJYXKM-SJLPKXTDSA-N 2 2 358.486 0.683 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001084545276 1258163790 /nfs/dbraw/zinc/16/37/90/1258163790.db2.gz CEUPGJWERFFMEN-SUMDDJOVSA-N 2 2 360.502 0.672 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)NC1CC1 ZINC001084545276 1258163792 /nfs/dbraw/zinc/16/37/92/1258163792.db2.gz CEUPGJWERFFMEN-SUMDDJOVSA-N 2 2 360.502 0.672 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598681 1258191172 /nfs/dbraw/zinc/19/11/72/1258191172.db2.gz ASXIWILWWZWUAR-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598681 1258191177 /nfs/dbraw/zinc/19/11/77/1258191177.db2.gz ASXIWILWWZWUAR-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598681 1258191180 /nfs/dbraw/zinc/19/11/80/1258191180.db2.gz ASXIWILWWZWUAR-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4C)C[C@H]32)C1 ZINC001084598681 1258191183 /nfs/dbraw/zinc/19/11/83/1258191183.db2.gz ASXIWILWWZWUAR-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001084663901 1258227274 /nfs/dbraw/zinc/22/72/74/1258227274.db2.gz VHQALLCBSKXFMP-BFYDXBDKSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001084663901 1258227277 /nfs/dbraw/zinc/22/72/77/1258227277.db2.gz VHQALLCBSKXFMP-BFYDXBDKSA-N 2 2 359.474 0.375 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084694858 1258247490 /nfs/dbraw/zinc/24/74/90/1258247490.db2.gz WJEUQCMWOVMAKV-OWCLPIDISA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001084694858 1258247497 /nfs/dbraw/zinc/24/74/97/1258247497.db2.gz WJEUQCMWOVMAKV-OWCLPIDISA-N 2 2 359.474 0.818 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084744037 1258285151 /nfs/dbraw/zinc/28/51/51/1258285151.db2.gz RMIFAYJRQVBWHS-XOKHGSTOSA-N 2 2 366.425 0.302 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084744037 1258285152 /nfs/dbraw/zinc/28/51/52/1258285152.db2.gz RMIFAYJRQVBWHS-XOKHGSTOSA-N 2 2 366.425 0.302 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001084773243 1258313594 /nfs/dbraw/zinc/31/35/94/1258313594.db2.gz JAJWWEYJSYNFSH-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001084773243 1258313599 /nfs/dbraw/zinc/31/35/99/1258313599.db2.gz JAJWWEYJSYNFSH-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)nn1 ZINC001084773243 1258313607 /nfs/dbraw/zinc/31/36/07/1258313607.db2.gz JAJWWEYJSYNFSH-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)nn1 ZINC001084773243 1258313616 /nfs/dbraw/zinc/31/36/16/1258313616.db2.gz JAJWWEYJSYNFSH-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP Cc1ncoc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833991 1258382123 /nfs/dbraw/zinc/38/21/23/1258382123.db2.gz GCCILZVCNARHLW-DJIMGWMZSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncoc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833991 1258382128 /nfs/dbraw/zinc/38/21/28/1258382128.db2.gz GCCILZVCNARHLW-DJIMGWMZSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001084834222 1258382167 /nfs/dbraw/zinc/38/21/67/1258382167.db2.gz QXAWNYCVQINQFC-QGPMSJSTSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001084834222 1258382171 /nfs/dbraw/zinc/38/21/71/1258382171.db2.gz QXAWNYCVQINQFC-QGPMSJSTSA-N 2 2 362.474 0.984 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084852041 1258401700 /nfs/dbraw/zinc/40/17/00/1258401700.db2.gz CSIXBIFGFYFMBW-BPQIPLTHSA-N 2 2 356.470 0.783 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001084852041 1258401703 /nfs/dbraw/zinc/40/17/03/1258401703.db2.gz CSIXBIFGFYFMBW-BPQIPLTHSA-N 2 2 356.470 0.783 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853385 1258401810 /nfs/dbraw/zinc/40/18/10/1258401810.db2.gz MHCOGVXQRRNZCV-SUMDDJOVSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21)[NH+]1CCCC1 ZINC001084853385 1258401812 /nfs/dbraw/zinc/40/18/12/1258401812.db2.gz MHCOGVXQRRNZCV-SUMDDJOVSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084867014 1258409701 /nfs/dbraw/zinc/40/97/01/1258409701.db2.gz SJLAPKWHKOSGRC-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084867014 1258409705 /nfs/dbraw/zinc/40/97/05/1258409705.db2.gz SJLAPKWHKOSGRC-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ncnn4C)[C@H]3C2)CC[N@@H+]1C ZINC001084944643 1258457697 /nfs/dbraw/zinc/45/76/97/1258457697.db2.gz CKZINAWHFCTALT-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ncnn4C)[C@H]3C2)CC[N@H+]1C ZINC001084944643 1258457700 /nfs/dbraw/zinc/45/77/00/1258457700.db2.gz CKZINAWHFCTALT-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4C)[C@H]3C2)CC[NH+]1C ZINC001084944643 1258457704 /nfs/dbraw/zinc/45/77/04/1258457704.db2.gz CKZINAWHFCTALT-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4C)[C@H]3C2)CC[NH+]1C ZINC001084944643 1258457707 /nfs/dbraw/zinc/45/77/07/1258457707.db2.gz CKZINAWHFCTALT-TWMKSMIVSA-N 2 2 360.506 0.968 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975427 1258487272 /nfs/dbraw/zinc/48/72/72/1258487272.db2.gz DUZUDAWVFNSODZ-NUJGCVRESA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975427 1258487274 /nfs/dbraw/zinc/48/72/74/1258487274.db2.gz DUZUDAWVFNSODZ-NUJGCVRESA-N 2 2 369.473 0.660 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001084980514 1258493213 /nfs/dbraw/zinc/49/32/13/1258493213.db2.gz CZXWEWWOFBNKGJ-WBVHZDCISA-N 2 2 358.490 0.866 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001084980514 1258493217 /nfs/dbraw/zinc/49/32/17/1258493217.db2.gz CZXWEWWOFBNKGJ-WBVHZDCISA-N 2 2 358.490 0.866 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001084995978 1258505074 /nfs/dbraw/zinc/50/50/74/1258505074.db2.gz KPDGSBIZBYQFNT-CVEARBPZSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1 ZINC001084995978 1258505080 /nfs/dbraw/zinc/50/50/80/1258505080.db2.gz KPDGSBIZBYQFNT-CVEARBPZSA-N 2 2 359.474 0.508 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC001085043832 1258542119 /nfs/dbraw/zinc/54/21/19/1258542119.db2.gz FHOYIMWIHMIURM-WBVHZDCISA-N 2 2 357.462 0.784 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC001085043832 1258542122 /nfs/dbraw/zinc/54/21/22/1258542122.db2.gz FHOYIMWIHMIURM-WBVHZDCISA-N 2 2 357.462 0.784 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)[C@H]2C1 ZINC001085043946 1258542144 /nfs/dbraw/zinc/54/21/44/1258542144.db2.gz OFMDOMQIZOKTIA-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCCC3)[C@H]2C1 ZINC001085043946 1258542148 /nfs/dbraw/zinc/54/21/48/1258542148.db2.gz OFMDOMQIZOKTIA-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](Cc4cn(C)nn4)[C@H]3C2)CC1 ZINC001085062660 1258557394 /nfs/dbraw/zinc/55/73/94/1258557394.db2.gz LRHRTUBKTQOQBK-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nn4)[C@H]3C2)CC1 ZINC001085062660 1258557399 /nfs/dbraw/zinc/55/73/99/1258557399.db2.gz LRHRTUBKTQOQBK-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP C[NH+](C)[C@](C)(C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1)c1ccccc1 ZINC001085072586 1258567852 /nfs/dbraw/zinc/56/78/52/1258567852.db2.gz IKNAJQDATONNQX-SYNHAJSKSA-N 2 2 358.486 0.872 20 0 FCADLP C[NH+](C)[C@](C)(C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1)c1ccccc1 ZINC001085072586 1258567857 /nfs/dbraw/zinc/56/78/57/1258567857.db2.gz IKNAJQDATONNQX-SYNHAJSKSA-N 2 2 358.486 0.872 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CCc3ccnn3C)[C@H]2C1 ZINC001085075504 1258570597 /nfs/dbraw/zinc/57/05/97/1258570597.db2.gz OJBHAURVJMAMSV-QAPCUYQASA-N 2 2 356.474 0.862 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CCc3ccnn3C)[C@H]2C1 ZINC001085075504 1258570602 /nfs/dbraw/zinc/57/06/02/1258570602.db2.gz OJBHAURVJMAMSV-QAPCUYQASA-N 2 2 356.474 0.862 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092839 1258585940 /nfs/dbraw/zinc/58/59/40/1258585940.db2.gz RXBOPNBSVXMGJK-ZACQAIPSSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092839 1258585945 /nfs/dbraw/zinc/58/59/45/1258585945.db2.gz RXBOPNBSVXMGJK-ZACQAIPSSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092839 1258585951 /nfs/dbraw/zinc/58/59/51/1258585951.db2.gz RXBOPNBSVXMGJK-ZACQAIPSSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092839 1258585956 /nfs/dbraw/zinc/58/59/56/1258585956.db2.gz RXBOPNBSVXMGJK-ZACQAIPSSA-N 2 2 360.506 0.981 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncn4C)[C@H]3C2)C1 ZINC001085098546 1258591803 /nfs/dbraw/zinc/59/18/03/1258591803.db2.gz XQFIYNPOSPWDBX-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncn4C)[C@H]3C2)C1 ZINC001085098546 1258591807 /nfs/dbraw/zinc/59/18/07/1258591807.db2.gz XQFIYNPOSPWDBX-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cncn4C)[C@H]3C2)C1 ZINC001085098546 1258591814 /nfs/dbraw/zinc/59/18/14/1258591814.db2.gz XQFIYNPOSPWDBX-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncn4C)[C@H]3C2)C1 ZINC001085098546 1258591820 /nfs/dbraw/zinc/59/18/20/1258591820.db2.gz XQFIYNPOSPWDBX-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001085152522 1258609488 /nfs/dbraw/zinc/60/94/88/1258609488.db2.gz HPYBPHFOGYAFPH-RBSFLKMASA-N 2 2 365.478 0.870 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001085152522 1258609496 /nfs/dbraw/zinc/60/94/96/1258609496.db2.gz HPYBPHFOGYAFPH-RBSFLKMASA-N 2 2 365.478 0.870 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)n1 ZINC001088121016 1258652046 /nfs/dbraw/zinc/65/20/46/1258652046.db2.gz KMHPXMQPBFDSNV-KGLIPLIRSA-N 2 2 356.430 0.731 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)n1 ZINC001088121016 1258652051 /nfs/dbraw/zinc/65/20/51/1258652051.db2.gz KMHPXMQPBFDSNV-KGLIPLIRSA-N 2 2 356.430 0.731 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151765 1258663236 /nfs/dbraw/zinc/66/32/36/1258663236.db2.gz SWFYMBYOOKZEKS-OWCLPIDISA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1=O ZINC001088151765 1258663245 /nfs/dbraw/zinc/66/32/45/1258663245.db2.gz SWFYMBYOOKZEKS-OWCLPIDISA-N 2 2 359.474 0.742 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088151549 1258664242 /nfs/dbraw/zinc/66/42/42/1258664242.db2.gz JXNQXDPYUGBPOP-XHSDSOJGSA-N 2 2 359.474 0.649 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088151549 1258664250 /nfs/dbraw/zinc/66/42/50/1258664250.db2.gz JXNQXDPYUGBPOP-XHSDSOJGSA-N 2 2 359.474 0.649 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)n1 ZINC001088171098 1258690796 /nfs/dbraw/zinc/69/07/96/1258690796.db2.gz XJZRGGWVGYFWCE-CABCVRRESA-N 2 2 370.457 0.742 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)n1 ZINC001088171098 1258690806 /nfs/dbraw/zinc/69/08/06/1258690806.db2.gz XJZRGGWVGYFWCE-CABCVRRESA-N 2 2 370.457 0.742 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200351 1258721075 /nfs/dbraw/zinc/72/10/75/1258721075.db2.gz ZQBBZJGXWOSMAE-PMPSAXMXSA-N 2 2 364.469 0.480 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200351 1258721079 /nfs/dbraw/zinc/72/10/79/1258721079.db2.gz ZQBBZJGXWOSMAE-PMPSAXMXSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200351 1258721084 /nfs/dbraw/zinc/72/10/84/1258721084.db2.gz ZQBBZJGXWOSMAE-PMPSAXMXSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200351 1258721090 /nfs/dbraw/zinc/72/10/90/1258721090.db2.gz ZQBBZJGXWOSMAE-PMPSAXMXSA-N 2 2 364.469 0.480 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199854 1258721313 /nfs/dbraw/zinc/72/13/13/1258721313.db2.gz FRHGVMFVJZIZCA-ILXRZTDVSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199854 1258721319 /nfs/dbraw/zinc/72/13/19/1258721319.db2.gz FRHGVMFVJZIZCA-ILXRZTDVSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199854 1258721323 /nfs/dbraw/zinc/72/13/23/1258721323.db2.gz FRHGVMFVJZIZCA-ILXRZTDVSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199854 1258721328 /nfs/dbraw/zinc/72/13/28/1258721328.db2.gz FRHGVMFVJZIZCA-ILXRZTDVSA-N 2 2 362.478 0.368 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202148 1258723841 /nfs/dbraw/zinc/72/38/41/1258723841.db2.gz MUFZJOLHAPLPIA-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202148 1258723845 /nfs/dbraw/zinc/72/38/45/1258723845.db2.gz MUFZJOLHAPLPIA-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213244 1258737493 /nfs/dbraw/zinc/73/74/93/1258737493.db2.gz RNAVMCLPHFIHSK-AOIWGVFYSA-N 2 2 358.486 0.816 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213244 1258737504 /nfs/dbraw/zinc/73/75/04/1258737504.db2.gz RNAVMCLPHFIHSK-AOIWGVFYSA-N 2 2 358.486 0.816 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088219729 1258740552 /nfs/dbraw/zinc/74/05/52/1258740552.db2.gz SHUYPPNVKILFOX-ZACQAIPSSA-N 2 2 359.474 0.580 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088219729 1258740557 /nfs/dbraw/zinc/74/05/57/1258740557.db2.gz SHUYPPNVKILFOX-ZACQAIPSSA-N 2 2 359.474 0.580 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725438 1258821265 /nfs/dbraw/zinc/82/12/65/1258821265.db2.gz KLWLLVPVULQXIM-MWQQHZPXSA-N 2 2 361.490 0.688 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725438 1258821273 /nfs/dbraw/zinc/82/12/73/1258821273.db2.gz KLWLLVPVULQXIM-MWQQHZPXSA-N 2 2 361.490 0.688 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725438 1258821279 /nfs/dbraw/zinc/82/12/79/1258821279.db2.gz KLWLLVPVULQXIM-MWQQHZPXSA-N 2 2 361.490 0.688 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725438 1258821289 /nfs/dbraw/zinc/82/12/89/1258821289.db2.gz KLWLLVPVULQXIM-MWQQHZPXSA-N 2 2 361.490 0.688 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725724 1258821391 /nfs/dbraw/zinc/82/13/91/1258821391.db2.gz XMNNFAFBUZVYHN-KLHDSHLOSA-N 2 2 364.494 0.201 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725724 1258821398 /nfs/dbraw/zinc/82/13/98/1258821398.db2.gz XMNNFAFBUZVYHN-KLHDSHLOSA-N 2 2 364.494 0.201 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725724 1258821406 /nfs/dbraw/zinc/82/14/06/1258821406.db2.gz XMNNFAFBUZVYHN-KLHDSHLOSA-N 2 2 364.494 0.201 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092725724 1258821415 /nfs/dbraw/zinc/82/14/15/1258821415.db2.gz XMNNFAFBUZVYHN-KLHDSHLOSA-N 2 2 364.494 0.201 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001092748005 1258825072 /nfs/dbraw/zinc/82/50/72/1258825072.db2.gz MEFITHRWIPQJPO-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001092748005 1258825082 /nfs/dbraw/zinc/82/50/82/1258825082.db2.gz MEFITHRWIPQJPO-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782603 1258844760 /nfs/dbraw/zinc/84/47/60/1258844760.db2.gz RUGXTYWMOVDIRR-UMVBOHGHSA-N 2 2 368.445 0.917 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782603 1258844771 /nfs/dbraw/zinc/84/47/71/1258844771.db2.gz RUGXTYWMOVDIRR-UMVBOHGHSA-N 2 2 368.445 0.917 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820463 1258856649 /nfs/dbraw/zinc/85/66/49/1258856649.db2.gz GDUCHEPXPIJLHB-MGPQQGTHSA-N 2 2 369.425 0.437 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820463 1258856653 /nfs/dbraw/zinc/85/66/53/1258856653.db2.gz GDUCHEPXPIJLHB-MGPQQGTHSA-N 2 2 369.425 0.437 20 0 FCADLP C[C@@H]1C[N@H+](CCCF)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001092848003 1258868526 /nfs/dbraw/zinc/86/85/26/1258868526.db2.gz KWGYTICXPUMYMV-TVFCKZIOSA-N 2 2 371.497 0.910 20 0 FCADLP C[C@@H]1C[N@@H+](CCCF)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001092848003 1258868532 /nfs/dbraw/zinc/86/85/32/1258868532.db2.gz KWGYTICXPUMYMV-TVFCKZIOSA-N 2 2 371.497 0.910 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001098286002 1258900372 /nfs/dbraw/zinc/90/03/72/1258900372.db2.gz YCPAKCXOGRGDRA-OIISXLGYSA-N 2 2 355.442 0.881 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001098286002 1258900378 /nfs/dbraw/zinc/90/03/78/1258900378.db2.gz YCPAKCXOGRGDRA-OIISXLGYSA-N 2 2 355.442 0.881 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(C)c2ncnc3c2C[NH+](C)CC3)CC[N@@H+]1C ZINC001100373302 1258909261 /nfs/dbraw/zinc/90/92/61/1258909261.db2.gz YNLVBIQQODCRNA-WMLDXEAASA-N 2 2 360.506 0.747 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(C)c2ncnc3c2C[NH+](C)CC3)CC[N@H+]1C ZINC001100373302 1258909267 /nfs/dbraw/zinc/90/92/67/1258909267.db2.gz YNLVBIQQODCRNA-WMLDXEAASA-N 2 2 360.506 0.747 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(C)c2ncnc3c2C[N@H+](C)CC3)CC[NH+]1C ZINC001100373302 1258909270 /nfs/dbraw/zinc/90/92/70/1258909270.db2.gz YNLVBIQQODCRNA-WMLDXEAASA-N 2 2 360.506 0.747 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCN(C)c2ncnc3c2C[N@@H+](C)CC3)CC[NH+]1C ZINC001100373302 1258909272 /nfs/dbraw/zinc/90/92/72/1258909272.db2.gz YNLVBIQQODCRNA-WMLDXEAASA-N 2 2 360.506 0.747 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104363890 1258915781 /nfs/dbraw/zinc/91/57/81/1258915781.db2.gz MTWUPLKZKXLXMC-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106678387 1258940056 /nfs/dbraw/zinc/94/00/56/1258940056.db2.gz KUSJPUHUBLVFSB-KLHDSHLOSA-N 2 2 359.474 0.440 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C)C(N)=O ZINC001106720707 1258946763 /nfs/dbraw/zinc/94/67/63/1258946763.db2.gz BIHLVOKILSBVEC-BZUAXINKSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106874391 1258985013 /nfs/dbraw/zinc/98/50/13/1258985013.db2.gz GLHRCMGYFPFZPD-HUUCEWRRSA-N 2 2 361.490 0.994 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106874889 1258985362 /nfs/dbraw/zinc/98/53/62/1258985362.db2.gz XDDWEZVXMMYSSL-ZIAGYGMSSA-N 2 2 362.478 0.397 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876971 1258985549 /nfs/dbraw/zinc/98/55/49/1258985549.db2.gz HCAUYVIIGQJLHN-BZUAXINKSA-N 2 2 363.506 0.807 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2ccon2)[C@H](C)C1 ZINC001106922947 1258996476 /nfs/dbraw/zinc/99/64/76/1258996476.db2.gz UMCCVZYCIALDKX-DGCLKSJQSA-N 2 2 360.418 0.571 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001107044523 1259023746 /nfs/dbraw/zinc/02/37/46/1259023746.db2.gz FUTMDNRISQBVKV-QGPMSJSTSA-N 2 2 361.490 0.505 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C)c1nnnn1C ZINC001107075972 1259028178 /nfs/dbraw/zinc/02/81/78/1259028178.db2.gz FLXPOSNHKSQPTI-QLFBSQMISA-N 2 2 360.466 0.632 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107386154 1259071260 /nfs/dbraw/zinc/07/12/60/1259071260.db2.gz JGNMVJYXTBVHTO-DNVCBOLYSA-N 2 2 359.474 0.982 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107386154 1259071264 /nfs/dbraw/zinc/07/12/64/1259071264.db2.gz JGNMVJYXTBVHTO-DNVCBOLYSA-N 2 2 359.474 0.982 20 0 FCADLP CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107616119 1259134525 /nfs/dbraw/zinc/13/45/25/1259134525.db2.gz UHVVLVFGUDQSBX-CRAIPNDOSA-N 2 2 363.510 0.803 20 0 FCADLP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107616119 1259134528 /nfs/dbraw/zinc/13/45/28/1259134528.db2.gz UHVVLVFGUDQSBX-CRAIPNDOSA-N 2 2 363.510 0.803 20 0 FCADLP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107616119 1259134532 /nfs/dbraw/zinc/13/45/32/1259134532.db2.gz UHVVLVFGUDQSBX-CRAIPNDOSA-N 2 2 363.510 0.803 20 0 FCADLP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107616119 1259134535 /nfs/dbraw/zinc/13/45/35/1259134535.db2.gz UHVVLVFGUDQSBX-CRAIPNDOSA-N 2 2 363.510 0.803 20 0 FCADLP CC(C)OCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023943 1259150943 /nfs/dbraw/zinc/15/09/43/1259150943.db2.gz GOFUUIYGRSFOMA-ZHALLVOQSA-N 2 2 371.522 0.728 20 0 FCADLP CC(C)OCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023943 1259150947 /nfs/dbraw/zinc/15/09/47/1259150947.db2.gz GOFUUIYGRSFOMA-ZHALLVOQSA-N 2 2 371.522 0.728 20 0 FCADLP CC(C)OCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108023943 1259150951 /nfs/dbraw/zinc/15/09/51/1259150951.db2.gz GOFUUIYGRSFOMA-ZHALLVOQSA-N 2 2 371.522 0.728 20 0 FCADLP CC(C)OCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108023943 1259150953 /nfs/dbraw/zinc/15/09/53/1259150953.db2.gz GOFUUIYGRSFOMA-ZHALLVOQSA-N 2 2 371.522 0.728 20 0 FCADLP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547496 1259179213 /nfs/dbraw/zinc/17/92/13/1259179213.db2.gz LNHGRHNMJUYBHF-HZPDHXFCSA-N 2 2 361.490 0.776 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830792 1259244449 /nfs/dbraw/zinc/24/44/49/1259244449.db2.gz YLIHAJCDKZCPOV-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830792 1259244452 /nfs/dbraw/zinc/24/44/52/1259244452.db2.gz YLIHAJCDKZCPOV-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830792 1259244455 /nfs/dbraw/zinc/24/44/55/1259244455.db2.gz YLIHAJCDKZCPOV-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830792 1259244458 /nfs/dbraw/zinc/24/44/58/1259244458.db2.gz YLIHAJCDKZCPOV-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830793 1259244826 /nfs/dbraw/zinc/24/48/26/1259244826.db2.gz YLIHAJCDKZCPOV-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830793 1259244833 /nfs/dbraw/zinc/24/48/33/1259244833.db2.gz YLIHAJCDKZCPOV-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830793 1259244837 /nfs/dbraw/zinc/24/48/37/1259244837.db2.gz YLIHAJCDKZCPOV-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830793 1259244842 /nfs/dbraw/zinc/24/48/42/1259244842.db2.gz YLIHAJCDKZCPOV-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1)OC ZINC001128962560 1259274896 /nfs/dbraw/zinc/27/48/96/1259274896.db2.gz VCSJEVLFROBTCR-KFWWJZLASA-N 2 2 361.450 0.401 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1)OC ZINC001128962560 1259274902 /nfs/dbraw/zinc/27/49/02/1259274902.db2.gz VCSJEVLFROBTCR-KFWWJZLASA-N 2 2 361.450 0.401 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065300 1259302843 /nfs/dbraw/zinc/30/28/43/1259302843.db2.gz UTNQFBPUTUBJNR-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065300 1259302852 /nfs/dbraw/zinc/30/28/52/1259302852.db2.gz UTNQFBPUTUBJNR-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129104038 1259317657 /nfs/dbraw/zinc/31/76/57/1259317657.db2.gz ZKPUWSQYGXQHIT-CVEARBPZSA-N 2 2 361.450 0.250 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129104038 1259317666 /nfs/dbraw/zinc/31/76/66/1259317666.db2.gz ZKPUWSQYGXQHIT-CVEARBPZSA-N 2 2 361.450 0.250 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122644 1259321630 /nfs/dbraw/zinc/32/16/30/1259321630.db2.gz QDDDNQVLPFGBHC-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122644 1259321638 /nfs/dbraw/zinc/32/16/38/1259321638.db2.gz QDDDNQVLPFGBHC-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129307764 1259370882 /nfs/dbraw/zinc/37/08/82/1259370882.db2.gz NCAKAKBUBKFGRU-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129307764 1259370885 /nfs/dbraw/zinc/37/08/85/1259370885.db2.gz NCAKAKBUBKFGRU-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187303936 1259400452 /nfs/dbraw/zinc/40/04/52/1259400452.db2.gz ABXJIQCEYDEHHO-USXIJHARSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187303936 1259400457 /nfs/dbraw/zinc/40/04/57/1259400457.db2.gz ABXJIQCEYDEHHO-USXIJHARSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187303936 1259400463 /nfs/dbraw/zinc/40/04/63/1259400463.db2.gz ABXJIQCEYDEHHO-USXIJHARSA-N 2 2 350.507 0.918 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187303936 1259400468 /nfs/dbraw/zinc/40/04/68/1259400468.db2.gz ABXJIQCEYDEHHO-USXIJHARSA-N 2 2 350.507 0.918 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303484 1259457712 /nfs/dbraw/zinc/45/77/12/1259457712.db2.gz GCPRRWOYWFYTEZ-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303484 1259457715 /nfs/dbraw/zinc/45/77/15/1259457715.db2.gz GCPRRWOYWFYTEZ-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP COCCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303484 1259457718 /nfs/dbraw/zinc/45/77/18/1259457718.db2.gz GCPRRWOYWFYTEZ-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP COCCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303484 1259457720 /nfs/dbraw/zinc/45/77/20/1259457720.db2.gz GCPRRWOYWFYTEZ-IXDOHACOSA-N 2 2 365.478 0.642 20 0 FCADLP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405953 1259491545 /nfs/dbraw/zinc/49/15/45/1259491545.db2.gz GEKUKNSHNSBVAX-LJZRZTQLSA-N 2 2 363.506 0.985 20 0 FCADLP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405953 1259491548 /nfs/dbraw/zinc/49/15/48/1259491548.db2.gz GEKUKNSHNSBVAX-LJZRZTQLSA-N 2 2 363.506 0.985 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408691 1259493561 /nfs/dbraw/zinc/49/35/61/1259493561.db2.gz YBSIDUGFETUUCU-ARFHVFGLSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408691 1259493563 /nfs/dbraw/zinc/49/35/63/1259493563.db2.gz YBSIDUGFETUUCU-ARFHVFGLSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407595 1259493650 /nfs/dbraw/zinc/49/36/50/1259493650.db2.gz BRPSDMZBCPSOAX-ARFHVFGLSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407595 1259493652 /nfs/dbraw/zinc/49/36/52/1259493652.db2.gz BRPSDMZBCPSOAX-ARFHVFGLSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408132 1259493941 /nfs/dbraw/zinc/49/39/41/1259493941.db2.gz MOBRNYUSDYLGHQ-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408132 1259493946 /nfs/dbraw/zinc/49/39/46/1259493946.db2.gz MOBRNYUSDYLGHQ-BZUAXINKSA-N 2 2 368.522 0.541 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418824 1259498918 /nfs/dbraw/zinc/49/89/18/1259498918.db2.gz NGQLGQRTBWBLKB-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418824 1259498922 /nfs/dbraw/zinc/49/89/22/1259498922.db2.gz NGQLGQRTBWBLKB-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418824 1259498925 /nfs/dbraw/zinc/49/89/25/1259498925.db2.gz NGQLGQRTBWBLKB-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418824 1259498929 /nfs/dbraw/zinc/49/89/29/1259498929.db2.gz NGQLGQRTBWBLKB-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430167 1259502414 /nfs/dbraw/zinc/50/24/14/1259502414.db2.gz CRHQQMBJKZUWHM-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430167 1259502417 /nfs/dbraw/zinc/50/24/17/1259502417.db2.gz CRHQQMBJKZUWHM-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430167 1259502422 /nfs/dbraw/zinc/50/24/22/1259502422.db2.gz CRHQQMBJKZUWHM-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430167 1259502429 /nfs/dbraw/zinc/50/24/29/1259502429.db2.gz CRHQQMBJKZUWHM-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430168 1259502619 /nfs/dbraw/zinc/50/26/19/1259502619.db2.gz CRHQQMBJKZUWHM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430168 1259502624 /nfs/dbraw/zinc/50/26/24/1259502624.db2.gz CRHQQMBJKZUWHM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430168 1259502628 /nfs/dbraw/zinc/50/26/28/1259502628.db2.gz CRHQQMBJKZUWHM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430168 1259502632 /nfs/dbraw/zinc/50/26/32/1259502632.db2.gz CRHQQMBJKZUWHM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198371 1259569158 /nfs/dbraw/zinc/56/91/58/1259569158.db2.gz DLANSDFARIAGJW-FQEVSTJZSA-N 3 2 360.502 0.677 20 0 FCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198371 1259569162 /nfs/dbraw/zinc/56/91/62/1259569162.db2.gz DLANSDFARIAGJW-FQEVSTJZSA-N 3 2 360.502 0.677 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658287 1259581092 /nfs/dbraw/zinc/58/10/92/1259581092.db2.gz XDMFUICCLDBSSS-FRQCXROJSA-N 2 2 367.490 0.441 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001235658287 1259581096 /nfs/dbraw/zinc/58/10/96/1259581096.db2.gz XDMFUICCLDBSSS-FRQCXROJSA-N 2 2 367.490 0.441 20 0 FCADLP COc1ccoc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001237864368 1259615438 /nfs/dbraw/zinc/61/54/38/1259615438.db2.gz AIJXRWNLDJZQHZ-UHFFFAOYSA-N 2 2 364.490 0.958 20 0 FCADLP COc1ccoc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001237864368 1259615447 /nfs/dbraw/zinc/61/54/47/1259615447.db2.gz AIJXRWNLDJZQHZ-UHFFFAOYSA-N 2 2 364.490 0.958 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2c(N)ccnc2F)CC3)CC1 ZINC001238157959 1259616053 /nfs/dbraw/zinc/61/60/53/1259616053.db2.gz ZEWFTABEHDLXER-UHFFFAOYSA-N 2 2 371.464 0.946 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2c(N)ccnc2F)CC3)CC1 ZINC001238157959 1259616063 /nfs/dbraw/zinc/61/60/63/1259616063.db2.gz ZEWFTABEHDLXER-UHFFFAOYSA-N 2 2 371.464 0.946 20 0 FCADLP C[NH+]1CCN(c2ccc(-c3cnn(CC[NH+]4CCOCC4)c3)nn2)CC1 ZINC001240540148 1259627410 /nfs/dbraw/zinc/62/74/10/1259627410.db2.gz YZYASMFTYRBIDE-UHFFFAOYSA-N 2 2 357.462 0.424 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001335393394 1259641223 /nfs/dbraw/zinc/64/12/23/1259641223.db2.gz SKNUKTCGJBZYFU-HOTGVXAUSA-N 2 2 361.490 0.658 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC001335393000 1259641499 /nfs/dbraw/zinc/64/14/99/1259641499.db2.gz SWOQBDZFVDDWJT-QGZVFWFLSA-N 2 2 356.478 0.875 20 0 FCADLP CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC001335393000 1259641508 /nfs/dbraw/zinc/64/15/08/1259641508.db2.gz SWOQBDZFVDDWJT-QGZVFWFLSA-N 2 2 356.478 0.875 20 0 FCADLP CC(C)(C)OC(=O)[C@@H](N)CC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246000639 1259643074 /nfs/dbraw/zinc/64/30/74/1259643074.db2.gz NNWPJRMMFOWQHN-HRCADAONSA-N 2 2 373.444 0.844 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CCNC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246000639 1259643086 /nfs/dbraw/zinc/64/30/86/1259643086.db2.gz NNWPJRMMFOWQHN-HRCADAONSA-N 2 2 373.444 0.844 20 0 FCADLP COC(=O)[C@H]([NH3+])[C@@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052916 1259645927 /nfs/dbraw/zinc/64/59/27/1259645927.db2.gz MKMSRHNVUWFSBC-VJUNAUMWSA-N 2 2 371.428 0.408 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1C(=O)OC ZINC001246140243 1259647682 /nfs/dbraw/zinc/64/76/82/1259647682.db2.gz GJVKDSGVCMGRHY-CAOSSQGBSA-N 3 2 367.490 0.581 20 0 FCADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1[NH3+] ZINC001246929452 1259694312 /nfs/dbraw/zinc/69/43/12/1259694312.db2.gz DGNYHTHVIPRRIX-TZOQOTQKSA-N 2 2 359.470 0.851 20 0 FCADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1[NH3+] ZINC001246929452 1259694319 /nfs/dbraw/zinc/69/43/19/1259694319.db2.gz DGNYHTHVIPRRIX-TZOQOTQKSA-N 2 2 359.470 0.851 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246923751 1259696165 /nfs/dbraw/zinc/69/61/65/1259696165.db2.gz OSEXYTGYTMNBEE-RYUDHWBXSA-N 2 2 373.379 0.957 20 0 FCADLP COc1cc(F)ccc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247332205 1259699286 /nfs/dbraw/zinc/69/92/86/1259699286.db2.gz KCFUBKRIEKZVRI-LBPRGKRZSA-N 2 2 360.349 0.794 20 0 FCADLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])Cc4nn[nH]n4)n3)cc2)CC1 ZINC001247303038 1259699372 /nfs/dbraw/zinc/69/93/72/1259699372.db2.gz ZYKREISVQBQTJJ-ZDUSSCGKSA-N 2 2 355.406 0.244 20 0 FCADLP COc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cc1OC ZINC001247332092 1259699727 /nfs/dbraw/zinc/69/97/27/1259699727.db2.gz IPNPXLHOWRSJEY-LBPRGKRZSA-N 2 2 372.385 0.663 20 0 FCADLP O[C@@H](CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251014730 1259728724 /nfs/dbraw/zinc/72/87/24/1259728724.db2.gz GABULNYAEJRBJB-XUVXKRRUSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@@H](CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251014730 1259728728 /nfs/dbraw/zinc/72/87/28/1259728728.db2.gz GABULNYAEJRBJB-XUVXKRRUSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014730 1259728735 /nfs/dbraw/zinc/72/87/35/1259728735.db2.gz GABULNYAEJRBJB-XUVXKRRUSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@H](CN1CCOCC1)C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014730 1259728739 /nfs/dbraw/zinc/72/87/39/1259728739.db2.gz GABULNYAEJRBJB-XUVXKRRUSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014730 1259728745 /nfs/dbraw/zinc/72/87/45/1259728745.db2.gz GABULNYAEJRBJB-XUVXKRRUSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014730 1259728750 /nfs/dbraw/zinc/72/87/50/1259728750.db2.gz GABULNYAEJRBJB-XUVXKRRUSA-N 2 2 367.534 0.502 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]2C ZINC001251014787 1259729657 /nfs/dbraw/zinc/72/96/57/1259729657.db2.gz CJCSCAJBPDQUNU-SJLPKXTDSA-N 2 2 365.522 0.793 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]2C ZINC001251014787 1259729658 /nfs/dbraw/zinc/72/96/58/1259729658.db2.gz CJCSCAJBPDQUNU-SJLPKXTDSA-N 2 2 365.522 0.793 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001335623016 1259747898 /nfs/dbraw/zinc/74/78/98/1259747898.db2.gz UYJDVLSUPXRDMG-HOTGVXAUSA-N 2 2 354.495 0.555 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943225 1259813481 /nfs/dbraw/zinc/81/34/81/1259813481.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943225 1259813492 /nfs/dbraw/zinc/81/34/92/1259813492.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943225 1259813503 /nfs/dbraw/zinc/81/35/03/1259813503.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943225 1259813511 /nfs/dbraw/zinc/81/35/11/1259813511.db2.gz HIWMTPNKGLBBKD-HKUYNNGSSA-N 2 2 358.442 0.720 20 0 FCADLP CC(C)(C)OC(=O)N1CCC(O)(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC001253304949 1259831594 /nfs/dbraw/zinc/83/15/94/1259831594.db2.gz NJLMTNYUDBZLHX-OAHLLOKOSA-N 2 2 368.478 0.986 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790058 1259841279 /nfs/dbraw/zinc/84/12/79/1259841279.db2.gz HIJMKARNSJAZIG-HIFRSBDPSA-N 2 2 370.494 0.157 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001335790058 1259841283 /nfs/dbraw/zinc/84/12/83/1259841283.db2.gz HIJMKARNSJAZIG-HIFRSBDPSA-N 2 2 370.494 0.157 20 0 FCADLP COc1cccc(OC[C@@H](O)C[NH2+]CCC(=O)NCCc2c[nH]c[nH+]2)c1 ZINC001253977029 1259866842 /nfs/dbraw/zinc/86/68/42/1259866842.db2.gz WVOIHBFIMBPACP-HNNXBMFYSA-N 2 2 362.430 0.497 20 0 FCADLP COc1cccc(OC[C@@H](O)C[NH2+]CCC(=O)NCCc2c[nH+]c[nH]2)c1 ZINC001253977029 1259866852 /nfs/dbraw/zinc/86/68/52/1259866852.db2.gz WVOIHBFIMBPACP-HNNXBMFYSA-N 2 2 362.430 0.497 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001331821375 1266292015 /nfs/dbraw/zinc/29/20/15/1266292015.db2.gz MYZISDNXGVWEEQ-MOPGFXCFSA-N 2 2 360.502 0.817 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@@H]2CCC[N@H+](C)C2)CC3)cn1 ZINC001255484580 1259915406 /nfs/dbraw/zinc/91/54/06/1259915406.db2.gz ACWPMMAINMJWFQ-MRXNPFEDSA-N 2 2 371.489 0.499 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@@H]2CCC[N@@H+](C)C2)CC3)cn1 ZINC001255484580 1259915410 /nfs/dbraw/zinc/91/54/10/1259915410.db2.gz ACWPMMAINMJWFQ-MRXNPFEDSA-N 2 2 371.489 0.499 20 0 FCADLP c1cnc(N2CCC([NH+]3CCN(CC[NH+]4CCOCC4)CC3)CC2)nc1 ZINC001256060116 1259932683 /nfs/dbraw/zinc/93/26/83/1259932683.db2.gz CAISPZBRZLTSIU-UHFFFAOYSA-N 2 2 360.506 0.395 20 0 FCADLP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001258771244 1260056972 /nfs/dbraw/zinc/05/69/72/1260056972.db2.gz YSROQISKFWDWHO-IHRRRGAJSA-N 2 2 370.494 0.021 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001261226174 1260104950 /nfs/dbraw/zinc/10/49/50/1260104950.db2.gz PKIHYNWCZIQOBT-YQQAZPJKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001261226174 1260104954 /nfs/dbraw/zinc/10/49/54/1260104954.db2.gz PKIHYNWCZIQOBT-YQQAZPJKSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001261315111 1260114782 /nfs/dbraw/zinc/11/47/82/1260114782.db2.gz QGELFIOAZOONTK-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336778969 1260222116 /nfs/dbraw/zinc/22/21/16/1260222116.db2.gz FRISFYMXDQXHDT-XHSDSOJGSA-N 2 2 367.490 0.667 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336778969 1260222123 /nfs/dbraw/zinc/22/21/23/1260222123.db2.gz FRISFYMXDQXHDT-XHSDSOJGSA-N 2 2 367.490 0.667 20 0 FCADLP Cc1ccc(N2CCN(C(=O)NCC[NH+]3CCC([NH3+])CC3)CC2=O)cc1 ZINC001336963343 1260270059 /nfs/dbraw/zinc/27/00/59/1260270059.db2.gz LQIKMUYDBRRBHG-UHFFFAOYSA-N 2 2 359.474 0.776 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC001337471031 1260408248 /nfs/dbraw/zinc/40/82/48/1260408248.db2.gz KCQQHAYTVIHCMG-MRXNPFEDSA-N 2 2 356.470 0.928 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1)[NH+](C)C ZINC001271634168 1260442659 /nfs/dbraw/zinc/44/26/59/1260442659.db2.gz IOAGUHLFAPZGPI-SCLBCKFNSA-N 2 2 361.446 0.238 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001272867141 1260519740 /nfs/dbraw/zinc/51/97/40/1260519740.db2.gz CSTXFQSGPPGJSA-HXUWFJFHSA-N 2 2 365.566 0.500 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001272867141 1260519742 /nfs/dbraw/zinc/51/97/42/1260519742.db2.gz CSTXFQSGPPGJSA-HXUWFJFHSA-N 2 2 365.566 0.500 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(C(=O)C1([NH+](C)C)CC1)CC2 ZINC001272907695 1260526165 /nfs/dbraw/zinc/52/61/65/1260526165.db2.gz GNJWPHYZKFNNQS-HNNXBMFYSA-N 2 2 359.474 0.759 20 0 FCADLP O=C(C[NH+]1CCC1)N1CCC2(CCC(=O)N(CCn3cc[nH+]c3)C2)CC1 ZINC001273253750 1260636564 /nfs/dbraw/zinc/63/65/64/1260636564.db2.gz FOTVSLQKIQPMEN-UHFFFAOYSA-N 2 2 359.474 0.820 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccnc(F)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278727452 1260721428 /nfs/dbraw/zinc/72/14/28/1260721428.db2.gz WGVBHVNOOUGCAS-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccnc(F)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278727452 1260721434 /nfs/dbraw/zinc/72/14/34/1260721434.db2.gz WGVBHVNOOUGCAS-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@H+](Cc4c[nH]c5ncncc45)C[C@H]32)c[nH+]1 ZINC001278887720 1260751056 /nfs/dbraw/zinc/75/10/56/1260751056.db2.gz FPGWYEFHWIROAB-SJORKVTESA-N 2 2 353.430 0.691 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](Cc4c[nH]c5ncncc45)C[C@H]32)c[nH+]1 ZINC001278887720 1260751060 /nfs/dbraw/zinc/75/10/60/1260751060.db2.gz FPGWYEFHWIROAB-SJORKVTESA-N 2 2 353.430 0.691 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001279353369 1260847116 /nfs/dbraw/zinc/84/71/16/1260847116.db2.gz DCDRFBSCIWEQKL-IRXDYDNUSA-N 2 2 354.458 0.950 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]12 ZINC001279353369 1260847125 /nfs/dbraw/zinc/84/71/25/1260847125.db2.gz DCDRFBSCIWEQKL-IRXDYDNUSA-N 2 2 354.458 0.950 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@H]3CCCO3)C2)N1 ZINC001279467094 1260874563 /nfs/dbraw/zinc/87/45/63/1260874563.db2.gz HOVFDYSMXNUHGY-IEBWSBKVSA-N 2 2 361.490 0.719 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@H]3CCCO3)C2)N1 ZINC001279467094 1260874564 /nfs/dbraw/zinc/87/45/64/1260874564.db2.gz HOVFDYSMXNUHGY-IEBWSBKVSA-N 2 2 361.490 0.719 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCC3(C[NH+](CCCC4OCCO4)C3)O2)CC1 ZINC001279784740 1260935354 /nfs/dbraw/zinc/93/53/54/1260935354.db2.gz JFZNQQIAGRAJBA-INIZCTEOSA-N 2 2 367.490 0.583 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001280070727 1260989036 /nfs/dbraw/zinc/98/90/36/1260989036.db2.gz YLIFUBMCVUNUOX-SFHVURJKSA-N 2 2 362.478 0.216 20 0 FCADLP Cn1ncnc1C(=O)N1CCO[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001280070727 1260989039 /nfs/dbraw/zinc/98/90/39/1260989039.db2.gz YLIFUBMCVUNUOX-SFHVURJKSA-N 2 2 362.478 0.216 20 0 FCADLP NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2O1 ZINC001280288617 1261047441 /nfs/dbraw/zinc/04/74/41/1261047441.db2.gz RLFBAGZLJUONDD-QYZOEREBSA-N 2 2 359.470 0.984 20 0 FCADLP NC(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2O1 ZINC001280288617 1261047446 /nfs/dbraw/zinc/04/74/46/1261047446.db2.gz RLFBAGZLJUONDD-QYZOEREBSA-N 2 2 359.470 0.984 20 0 FCADLP C[NH+]1CCN(C(=O)N2CC3(CCN3C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280303541 1261052691 /nfs/dbraw/zinc/05/26/91/1261052691.db2.gz WTNJGPJKAOJAFS-MRXNPFEDSA-N 2 2 361.490 0.125 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@H+](Cc4cnc[nH]4)C[C@@H]3O2)CC1 ZINC001280341985 1261059540 /nfs/dbraw/zinc/05/95/40/1261059540.db2.gz SMGCYYATUIJRON-OLMNPRSZSA-N 2 2 361.490 0.942 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C[C@H]2C[C@@H]3C[N@@H+](Cc4cnc[nH]4)C[C@@H]3O2)CC1 ZINC001280341985 1261059544 /nfs/dbraw/zinc/05/95/44/1261059544.db2.gz SMGCYYATUIJRON-OLMNPRSZSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001281791763 1261198560 /nfs/dbraw/zinc/19/85/60/1261198560.db2.gz ATCADYNVCMUQBY-OIISXLGYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001281791763 1261198564 /nfs/dbraw/zinc/19/85/64/1261198564.db2.gz ATCADYNVCMUQBY-OIISXLGYSA-N 2 2 361.490 0.800 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472577796 1261476027 /nfs/dbraw/zinc/47/60/27/1261476027.db2.gz AFADEWJFPYOHCP-MRXNPFEDSA-N 2 2 362.474 0.714 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001283332241 1261678666 /nfs/dbraw/zinc/67/86/66/1261678666.db2.gz UBQCATCJEXBCSG-HZPDHXFCSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001283332241 1261678675 /nfs/dbraw/zinc/67/86/75/1261678675.db2.gz UBQCATCJEXBCSG-HZPDHXFCSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580320700 1278119990 /nfs/dbraw/zinc/11/99/90/1278119990.db2.gz FMIBSYHSRPXUHK-WQVCFCJDSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580320700 1278119994 /nfs/dbraw/zinc/11/99/94/1278119994.db2.gz FMIBSYHSRPXUHK-WQVCFCJDSA-N 2 2 370.461 0.427 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001288989876 1262061006 /nfs/dbraw/zinc/06/10/06/1262061006.db2.gz YZDQDKFAQUCJHR-RRFJBIMHSA-N 2 2 365.453 0.691 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001289119694 1262114763 /nfs/dbraw/zinc/11/47/63/1262114763.db2.gz HFLHLWWFDIKDLC-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001295257206 1262760553 /nfs/dbraw/zinc/76/05/53/1262760553.db2.gz GRDXEVQHXGHDKZ-HLLBOEOZSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001295257206 1262760557 /nfs/dbraw/zinc/76/05/57/1262760557.db2.gz GRDXEVQHXGHDKZ-HLLBOEOZSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001479321465 1263184057 /nfs/dbraw/zinc/18/40/57/1263184057.db2.gz MVRLRKDFSUWGDM-IBEHDNSVSA-N 2 2 361.490 0.923 20 0 FCADLP OC[C@]12COCCN1CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001308110590 1263211452 /nfs/dbraw/zinc/21/14/52/1263211452.db2.gz LFYRPEOMLGRRRS-HXUWFJFHSA-N 2 2 361.486 0.398 20 0 FCADLP OC[C@]12COCCN1CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001308110590 1263211462 /nfs/dbraw/zinc/21/14/62/1263211462.db2.gz LFYRPEOMLGRRRS-HXUWFJFHSA-N 2 2 361.486 0.398 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675141 1263342016 /nfs/dbraw/zinc/34/20/16/1263342016.db2.gz FVJXZHPAOXVIBB-IXDOHACOSA-N 2 2 350.463 0.451 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675141 1263342030 /nfs/dbraw/zinc/34/20/30/1263342030.db2.gz FVJXZHPAOXVIBB-IXDOHACOSA-N 2 2 350.463 0.451 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001484572804 1263480127 /nfs/dbraw/zinc/48/01/27/1263480127.db2.gz SVDBTWJWEFVDBR-WRQOLXDDSA-N 2 2 364.490 0.796 20 0 FCADLP CN(CC(C)(C)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485261424 1263500381 /nfs/dbraw/zinc/50/03/81/1263500381.db2.gz JHQLGANIXVPFFI-ZIAGYGMSSA-N 2 2 359.478 0.927 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318771994 1263608760 /nfs/dbraw/zinc/60/87/60/1263608760.db2.gz LXGLTDPRXPIIDX-DLBZAZTESA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318771994 1263608767 /nfs/dbraw/zinc/60/87/67/1263608767.db2.gz LXGLTDPRXPIIDX-DLBZAZTESA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001318771994 1263608773 /nfs/dbraw/zinc/60/87/73/1263608773.db2.gz LXGLTDPRXPIIDX-DLBZAZTESA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001318771994 1263608777 /nfs/dbraw/zinc/60/87/77/1263608777.db2.gz LXGLTDPRXPIIDX-DLBZAZTESA-N 2 2 359.474 0.360 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC001319665537 1263718937 /nfs/dbraw/zinc/71/89/37/1263718937.db2.gz SKBZZDREZFEDRR-UHFFFAOYSA-N 2 2 362.353 0.970 20 0 FCADLP CCc1ncc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001319995848 1263752103 /nfs/dbraw/zinc/75/21/03/1263752103.db2.gz JMEOOZCOXPQGMQ-UHFFFAOYSA-N 2 2 374.489 0.652 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCOC3)CC2)CC1 ZINC001322012200 1264131144 /nfs/dbraw/zinc/13/11/44/1264131144.db2.gz YUKGDDRYFWRZKK-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C(N)=O)o3)CC2)CC1 ZINC001323606544 1264466520 /nfs/dbraw/zinc/46/65/20/1264466520.db2.gz BQGVUBFDOSXKHS-UHFFFAOYSA-N 2 2 363.462 0.736 20 0 FCADLP CN(Cc1ccccn1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001323716945 1264494217 /nfs/dbraw/zinc/49/42/17/1264494217.db2.gz VNGXZKWVDYGKDU-UHFFFAOYSA-N 2 2 373.501 0.715 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1=CC[N@H+](C)CC1 ZINC001323782001 1264512867 /nfs/dbraw/zinc/51/28/67/1264512867.db2.gz RPLLTWPDSQHDQZ-CVEARBPZSA-N 2 2 373.501 0.968 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1=CC[N@@H+](C)CC1 ZINC001323782001 1264512874 /nfs/dbraw/zinc/51/28/74/1264512874.db2.gz RPLLTWPDSQHDQZ-CVEARBPZSA-N 2 2 373.501 0.968 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccn4c(=O)[nH]nc34)CC2)CC1 ZINC001325077688 1264769091 /nfs/dbraw/zinc/76/90/91/1264769091.db2.gz QNQOQSSEUAASHQ-UHFFFAOYSA-N 2 2 358.446 0.723 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)CC[N@H+](C)C1 ZINC001325277127 1264832259 /nfs/dbraw/zinc/83/22/59/1264832259.db2.gz GJLJFGUPXPATFU-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)CC[N@@H+](C)C1 ZINC001325277127 1264832269 /nfs/dbraw/zinc/83/22/69/1264832269.db2.gz GJLJFGUPXPATFU-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277127 1264832280 /nfs/dbraw/zinc/83/22/80/1264832280.db2.gz GJLJFGUPXPATFU-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277127 1264832287 /nfs/dbraw/zinc/83/22/87/1264832287.db2.gz GJLJFGUPXPATFU-QZTJIDSGSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cc[nH+]c1 ZINC001580407510 1278243727 /nfs/dbraw/zinc/24/37/27/1278243727.db2.gz KJMUTQSYCQIOQS-CYBMUJFWSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1cc[nH+]c1 ZINC001580405819 1278241415 /nfs/dbraw/zinc/24/14/15/1278241415.db2.gz JTEVUCVFXKHJDP-LLVKDONJSA-N 2 2 360.447 0.809 20 0 FCADLP O=C(C(=O)N1CCCC2(CC[NH2+]CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001326474156 1265119437 /nfs/dbraw/zinc/11/94/37/1265119437.db2.gz SWVGLGBXBYTGKL-UHFFFAOYSA-N 2 2 371.485 0.722 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001326590998 1265138166 /nfs/dbraw/zinc/13/81/66/1265138166.db2.gz NQHDOMYKIUVOGV-OWCLPIDISA-N 2 2 359.474 0.766 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC001326623999 1265144894 /nfs/dbraw/zinc/14/48/94/1265144894.db2.gz QBWITPSYFIZQPP-KXBFYZLASA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC001326623999 1265144897 /nfs/dbraw/zinc/14/48/97/1265144897.db2.gz QBWITPSYFIZQPP-KXBFYZLASA-N 2 2 366.506 0.035 20 0 FCADLP C[C@@H](CO)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327366648 1265291819 /nfs/dbraw/zinc/29/18/19/1265291819.db2.gz DJMZWHPHADRWRQ-NVXWUHKLSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@@H](CO)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327366648 1265291830 /nfs/dbraw/zinc/29/18/30/1265291830.db2.gz DJMZWHPHADRWRQ-NVXWUHKLSA-N 2 2 368.522 0.138 20 0 FCADLP CCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001513920717 1265295535 /nfs/dbraw/zinc/29/55/35/1265295535.db2.gz IYNNRIUQIGGLSO-LJQANCHMSA-N 2 2 371.489 0.629 20 0 FCADLP CCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001513920717 1265295537 /nfs/dbraw/zinc/29/55/37/1265295537.db2.gz IYNNRIUQIGGLSO-LJQANCHMSA-N 2 2 371.489 0.629 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001327448043 1265325402 /nfs/dbraw/zinc/32/54/02/1265325402.db2.gz BHLQOMJDJMMYEI-KBMXLJTQSA-N 2 2 360.462 0.581 20 0 FCADLP O=C(c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001332977023 1266514571 /nfs/dbraw/zinc/51/45/71/1266514571.db2.gz VPSXACJEJOUUQH-RYUDHWBXSA-N 2 2 370.404 0.297 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001580417678 1278269007 /nfs/dbraw/zinc/26/90/07/1278269007.db2.gz IALPYVGOJCYMBK-NEPJUHHUSA-N 2 2 367.417 0.059 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C[C@H]2C1 ZINC001333645334 1266664776 /nfs/dbraw/zinc/66/47/76/1266664776.db2.gz GASPEAOLXBVDPG-UXLLHSPISA-N 2 2 354.520 0.397 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C[C@H]2C1 ZINC001333645334 1266664787 /nfs/dbraw/zinc/66/47/87/1266664787.db2.gz GASPEAOLXBVDPG-UXLLHSPISA-N 2 2 354.520 0.397 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[C@H](C[NH3+])C1 ZINC001333652999 1266667309 /nfs/dbraw/zinc/66/73/09/1266667309.db2.gz CLGBQCYTBZQHMG-PMPSAXMXSA-N 2 2 361.490 0.787 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001333720146 1266689699 /nfs/dbraw/zinc/68/96/99/1266689699.db2.gz TXWPOPXKBWITQD-CHWSQXEVSA-N 2 2 354.476 0.606 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001333720146 1266689708 /nfs/dbraw/zinc/68/97/08/1266689708.db2.gz TXWPOPXKBWITQD-CHWSQXEVSA-N 2 2 354.476 0.606 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001527878114 1266932300 /nfs/dbraw/zinc/93/23/00/1266932300.db2.gz MTFLMZPPKAHDBW-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001527878114 1266932306 /nfs/dbraw/zinc/93/23/06/1266932306.db2.gz MTFLMZPPKAHDBW-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1)C2 ZINC001334720865 1267151085 /nfs/dbraw/zinc/15/10/85/1267151085.db2.gz LETXMWUXZLOEKM-FXAWDEMLSA-N 2 2 367.453 0.887 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)N2CCCC2)CC1 ZINC001548395385 1267694933 /nfs/dbraw/zinc/69/49/33/1267694933.db2.gz IBCNEMWGSSNBEW-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](OC)C[C@H]2C(=O)N2CCCC2)CC1 ZINC001548395385 1267694945 /nfs/dbraw/zinc/69/49/45/1267694945.db2.gz IBCNEMWGSSNBEW-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CNC(=O)[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@H]1c1cnn(C)c1 ZINC001548828669 1267760637 /nfs/dbraw/zinc/76/06/37/1267760637.db2.gz GGNZSCWUKZBQPP-GJZGRUSLSA-N 2 2 362.503 0.900 20 0 FCADLP CNC(=O)[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@H]1c1cnn(C)c1 ZINC001548828669 1267760640 /nfs/dbraw/zinc/76/06/40/1267760640.db2.gz GGNZSCWUKZBQPP-GJZGRUSLSA-N 2 2 362.503 0.900 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001549152655 1267830557 /nfs/dbraw/zinc/83/05/57/1267830557.db2.gz FTEICXZRVVFFEC-CFAJVAMVSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001549152374 1267830956 /nfs/dbraw/zinc/83/09/56/1267830956.db2.gz BTYZLOWHVZZIBW-FSZRXZPDSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001549152374 1267830960 /nfs/dbraw/zinc/83/09/60/1267830960.db2.gz BTYZLOWHVZZIBW-FSZRXZPDSA-N 2 2 374.489 0.866 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549153197 1267830998 /nfs/dbraw/zinc/83/09/98/1267830998.db2.gz KSKDWGHNPFNASC-KEYYUXOJSA-N 2 2 362.478 0.912 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549160010 1267839068 /nfs/dbraw/zinc/83/90/68/1267839068.db2.gz LNOOWAJEWOPFEN-WMLDXEAASA-N 2 2 362.478 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001549176366 1267853777 /nfs/dbraw/zinc/85/37/77/1267853777.db2.gz CZXASGSXJIFIIJ-FDQGKXFDSA-N 2 2 360.462 0.525 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001549176500 1267853954 /nfs/dbraw/zinc/85/39/54/1267853954.db2.gz JVKFNBBEZOUBSV-RVKKMQEKSA-N 2 2 374.489 0.771 20 0 FCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549365661 1267910554 /nfs/dbraw/zinc/91/05/54/1267910554.db2.gz QDOIKDCWRNNXSI-IKGGRYGDSA-N 2 2 366.506 0.338 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549365661 1267910557 /nfs/dbraw/zinc/91/05/57/1267910557.db2.gz QDOIKDCWRNNXSI-IKGGRYGDSA-N 2 2 366.506 0.338 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001549553983 1267953287 /nfs/dbraw/zinc/95/32/87/1267953287.db2.gz LJUPPPBBENDEQV-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001549553983 1267953292 /nfs/dbraw/zinc/95/32/92/1267953292.db2.gz LJUPPPBBENDEQV-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP C[NH+](C)[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549559684 1267954814 /nfs/dbraw/zinc/95/48/14/1267954814.db2.gz CKXMQEZUOKPPQY-BZUAXINKSA-N 2 2 372.477 0.268 20 0 FCADLP Cc1cccn2cc(CC(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)[nH+]c12 ZINC001549731448 1267981211 /nfs/dbraw/zinc/98/12/11/1267981211.db2.gz NXPFGPXMHLCWCY-QFBILLFUSA-N 2 2 369.469 0.948 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C[C@H]1n1ccnn1 ZINC001549824680 1268006690 /nfs/dbraw/zinc/00/66/90/1268006690.db2.gz HIYSKFVWIDJVBS-KZNAEPCWSA-N 2 2 369.473 0.961 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001549824680 1268006699 /nfs/dbraw/zinc/00/66/99/1268006699.db2.gz HIYSKFVWIDJVBS-KZNAEPCWSA-N 2 2 369.473 0.961 20 0 FCADLP C[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894682 1268015089 /nfs/dbraw/zinc/01/50/89/1268015089.db2.gz GUNKHCDNXWVYBK-ZWKOTPCHSA-N 2 2 356.470 0.636 20 0 FCADLP C[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894682 1268015098 /nfs/dbraw/zinc/01/50/98/1268015098.db2.gz GUNKHCDNXWVYBK-ZWKOTPCHSA-N 2 2 356.470 0.636 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C[C@H]1n1ccnn1 ZINC001549951222 1268028306 /nfs/dbraw/zinc/02/83/06/1268028306.db2.gz KSBIRIACJIBZDY-JHJVBQTASA-N 2 2 371.367 0.982 20 0 FCADLP CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)CC1 ZINC001550005042 1268044655 /nfs/dbraw/zinc/04/46/55/1268044655.db2.gz RILDLUUTCKDQPO-OTWHNJEPSA-N 2 2 364.534 0.582 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009270 1268047371 /nfs/dbraw/zinc/04/73/71/1268047371.db2.gz YHNAAXIDFBSRNS-UXHICEINSA-N 2 2 372.513 0.736 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009270 1268047385 /nfs/dbraw/zinc/04/73/85/1268047385.db2.gz YHNAAXIDFBSRNS-UXHICEINSA-N 2 2 372.513 0.736 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009272 1268047843 /nfs/dbraw/zinc/04/78/43/1268047843.db2.gz YHNAAXIDFBSRNS-VQTJNVASSA-N 2 2 372.513 0.736 20 0 FCADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC001550009272 1268047855 /nfs/dbraw/zinc/04/78/55/1268047855.db2.gz YHNAAXIDFBSRNS-VQTJNVASSA-N 2 2 372.513 0.736 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nnc2n1CCC2 ZINC001338710857 1268056942 /nfs/dbraw/zinc/05/69/42/1268056942.db2.gz VFDPEROMNZBRGB-CQSZACIVSA-N 2 2 363.510 0.953 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnc2n1CCC2 ZINC001338710857 1268056954 /nfs/dbraw/zinc/05/69/54/1268056954.db2.gz VFDPEROMNZBRGB-CQSZACIVSA-N 2 2 363.510 0.953 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@H](O)[C@@H](Oc4ccccc4)C3)cn2)CC1 ZINC001550126729 1268077552 /nfs/dbraw/zinc/07/75/52/1268077552.db2.gz FTFKMVZFBOQFKA-OALUTQOASA-N 2 2 369.469 0.853 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@H](O)[C@@H](Oc4ccccc4)C3)cn2)CC1 ZINC001550126729 1268077563 /nfs/dbraw/zinc/07/75/63/1268077563.db2.gz FTFKMVZFBOQFKA-OALUTQOASA-N 2 2 369.469 0.853 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[NH2+]CCC12CCC2 ZINC001550268534 1268102248 /nfs/dbraw/zinc/10/22/48/1268102248.db2.gz UUHOOQWKRHQORH-XJKSGUPXSA-N 2 2 360.462 0.667 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001550571209 1268134297 /nfs/dbraw/zinc/13/42/97/1268134297.db2.gz FSXLUSFLLTXGLN-ZHALLVOQSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001550571209 1268134299 /nfs/dbraw/zinc/13/42/99/1268134299.db2.gz FSXLUSFLLTXGLN-ZHALLVOQSA-N 2 2 351.491 0.811 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001550653653 1268146522 /nfs/dbraw/zinc/14/65/22/1268146522.db2.gz CECHJIIDRCWJII-GQGSAGHOSA-N 2 2 360.462 0.333 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001550653653 1268146525 /nfs/dbraw/zinc/14/65/25/1268146525.db2.gz CECHJIIDRCWJII-GQGSAGHOSA-N 2 2 360.462 0.333 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)C2)c1 ZINC001550727994 1268157407 /nfs/dbraw/zinc/15/74/07/1268157407.db2.gz XEKPHKFGKGERMS-YDZRNGNQSA-N 2 2 359.470 0.831 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)C2)c1 ZINC001550727994 1268157412 /nfs/dbraw/zinc/15/74/12/1268157412.db2.gz XEKPHKFGKGERMS-YDZRNGNQSA-N 2 2 359.470 0.831 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+]C[C@@H](O)C3)C2)c1 ZINC001550764722 1268165583 /nfs/dbraw/zinc/16/55/83/1268165583.db2.gz UPSYTVJLTQAFDA-MSOLQXFVSA-N 2 2 362.474 0.172 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+]C[C@@H](O)C3)C2)c1 ZINC001550764722 1268165587 /nfs/dbraw/zinc/16/55/87/1268165587.db2.gz UPSYTVJLTQAFDA-MSOLQXFVSA-N 2 2 362.474 0.172 20 0 FCADLP CC1([NH+]2CCOCC2)CCC(NC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001551498053 1268262295 /nfs/dbraw/zinc/26/22/95/1268262295.db2.gz PDOWUJXDIKJBSI-UHFFFAOYSA-N 3 2 367.538 0.742 20 0 FCADLP C[C@H](NC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC001551568026 1268273831 /nfs/dbraw/zinc/27/38/31/1268273831.db2.gz UECCYCMGKZNCTA-JURCDPSOSA-N 2 2 364.412 0.937 20 0 FCADLP CN(C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC[NH+](C2CC2)CC1 ZINC001551886269 1268306324 /nfs/dbraw/zinc/30/63/24/1268306324.db2.gz HFNOXDRJTDBMLX-QZTJIDSGSA-N 2 2 351.491 0.951 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC[NH+](C2CC2)CC1 ZINC001551886264 1268306343 /nfs/dbraw/zinc/30/63/43/1268306343.db2.gz HFNOXDRJTDBMLX-MSOLQXFVSA-N 2 2 351.491 0.951 20 0 FCADLP CN(C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C1CC[NH+](C2CC2)CC1 ZINC001551886273 1268306588 /nfs/dbraw/zinc/30/65/88/1268306588.db2.gz HFNOXDRJTDBMLX-ZWKOTPCHSA-N 2 2 351.491 0.951 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551938587 1268318197 /nfs/dbraw/zinc/31/81/97/1268318197.db2.gz KKZDBEZJMZZXJU-FPCVCCKLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551938587 1268318206 /nfs/dbraw/zinc/31/82/06/1268318206.db2.gz KKZDBEZJMZZXJU-FPCVCCKLSA-N 2 2 374.489 0.786 20 0 FCADLP CC[NH+]1CCN(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC001339771663 1268324491 /nfs/dbraw/zinc/32/44/91/1268324491.db2.gz MSTXHSOFDSSZID-UHFFFAOYSA-N 3 2 360.506 0.800 20 0 FCADLP Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001339781954 1268330063 /nfs/dbraw/zinc/33/00/63/1268330063.db2.gz ACENDBLWJVONJH-ZDUSSCGKSA-N 2 2 362.459 0.684 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC001552013039 1268351843 /nfs/dbraw/zinc/35/18/43/1268351843.db2.gz XVJOZJVRLQIBMO-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@H]1CCCCN(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111989 1268377854 /nfs/dbraw/zinc/37/78/54/1268377854.db2.gz ZXAPRFYWMCOURU-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@H]1CCCCN(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111989 1268377866 /nfs/dbraw/zinc/37/78/66/1268377866.db2.gz ZXAPRFYWMCOURU-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552149135 1268393122 /nfs/dbraw/zinc/39/31/22/1268393122.db2.gz SFVQWCGOXVBQLX-CABCVRRESA-N 2 2 369.473 0.648 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C3CC[NH2+]CC3)CCO2)CC1 ZINC001552154858 1268395788 /nfs/dbraw/zinc/39/57/88/1268395788.db2.gz URKRLEBMAWGTRW-KZNAEPCWSA-N 2 2 350.507 0.097 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001580499882 1278408193 /nfs/dbraw/zinc/40/81/93/1278408193.db2.gz UTXOOOMUPBLKKO-GASCZTMLSA-N 2 2 366.429 0.878 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC001552276152 1268430711 /nfs/dbraw/zinc/43/07/11/1268430711.db2.gz HFEYSECEWCIZSU-PMACEKPBSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC001552276152 1268430718 /nfs/dbraw/zinc/43/07/18/1268430718.db2.gz HFEYSECEWCIZSU-PMACEKPBSA-N 2 2 359.470 0.950 20 0 FCADLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435278 1268461913 /nfs/dbraw/zinc/46/19/13/1268461913.db2.gz CXTVTEHMIDXUIX-GOEBONIOSA-N 3 2 361.494 0.019 20 0 FCADLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435278 1268461921 /nfs/dbraw/zinc/46/19/21/1268461921.db2.gz CXTVTEHMIDXUIX-GOEBONIOSA-N 3 2 361.494 0.019 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC001340215974 1268473494 /nfs/dbraw/zinc/47/34/94/1268473494.db2.gz ZUJMUMLRZRXMKT-OAHLLOKOSA-N 2 2 373.501 0.934 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC001552797810 1268549733 /nfs/dbraw/zinc/54/97/33/1268549733.db2.gz SHLJEXFBQYMTQO-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC001552797810 1268549744 /nfs/dbraw/zinc/54/97/44/1268549744.db2.gz SHLJEXFBQYMTQO-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC001552797810 1268549749 /nfs/dbraw/zinc/54/97/49/1268549749.db2.gz SHLJEXFBQYMTQO-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC001552797810 1268549753 /nfs/dbraw/zinc/54/97/53/1268549753.db2.gz SHLJEXFBQYMTQO-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001552995622 1268574795 /nfs/dbraw/zinc/57/47/95/1268574795.db2.gz FJPKPYTVTUKUCZ-LFRCEIEQSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@@H](O)C2 ZINC001552995622 1268574801 /nfs/dbraw/zinc/57/48/01/1268574801.db2.gz FJPKPYTVTUKUCZ-LFRCEIEQSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H](O)C2 ZINC001552995622 1268574806 /nfs/dbraw/zinc/57/48/06/1268574806.db2.gz FJPKPYTVTUKUCZ-LFRCEIEQSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H](O)C2 ZINC001552995622 1268574809 /nfs/dbraw/zinc/57/48/09/1268574809.db2.gz FJPKPYTVTUKUCZ-LFRCEIEQSA-N 2 2 354.495 0.096 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1)Nc1ccccc1 ZINC001553405659 1268646031 /nfs/dbraw/zinc/64/60/31/1268646031.db2.gz FUAQBULHGZCTHP-BZSNNMDCSA-N 2 2 372.469 0.725 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@](C[NH3+])(C3CCOCC3)C2)CCO1 ZINC001553438613 1268650522 /nfs/dbraw/zinc/65/05/22/1268650522.db2.gz AOMZKLTVDTUHKF-LJQANCHMSA-N 2 2 368.522 0.884 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@](C[NH3+])(C3CCOCC3)C2)CCO1 ZINC001553438613 1268650528 /nfs/dbraw/zinc/65/05/28/1268650528.db2.gz AOMZKLTVDTUHKF-LJQANCHMSA-N 2 2 368.522 0.884 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553453804 1268653443 /nfs/dbraw/zinc/65/34/43/1268653443.db2.gz ZRIJHRZJDMYCAH-LSDHHAIUSA-N 2 2 372.535 0.136 20 0 FCADLP Cc1cccn2c(CC(=O)N3C[C@@H](n4ccnn4)[C@@H]([NH+](C)C)C3)c[nH+]c12 ZINC001553931880 1268735885 /nfs/dbraw/zinc/73/58/85/1268735885.db2.gz YJNPOWYAHFNYCA-JKSUJKDBSA-N 2 2 353.430 0.790 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001341060672 1268765794 /nfs/dbraw/zinc/76/57/94/1268765794.db2.gz WALGLPYDQIAVLV-MRXNPFEDSA-N 2 2 361.490 0.974 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001341097467 1268782531 /nfs/dbraw/zinc/78/25/31/1268782531.db2.gz LZBJHQARBPCZGT-BRWVUGGUSA-N 2 2 364.494 0.790 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001341097467 1268782539 /nfs/dbraw/zinc/78/25/39/1268782539.db2.gz LZBJHQARBPCZGT-BRWVUGGUSA-N 2 2 364.494 0.790 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001555582330 1268788095 /nfs/dbraw/zinc/78/80/95/1268788095.db2.gz UGAVGCKFYWWAMR-HOTGVXAUSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001555582330 1268788097 /nfs/dbraw/zinc/78/80/97/1268788097.db2.gz UGAVGCKFYWWAMR-HOTGVXAUSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001555582330 1268788102 /nfs/dbraw/zinc/78/81/02/1268788102.db2.gz UGAVGCKFYWWAMR-HOTGVXAUSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001555582330 1268788110 /nfs/dbraw/zinc/78/81/10/1268788110.db2.gz UGAVGCKFYWWAMR-HOTGVXAUSA-N 2 2 366.510 0.464 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001341344763 1268945582 /nfs/dbraw/zinc/94/55/82/1268945582.db2.gz JVDPIIWLMHTESN-HNNXBMFYSA-N 2 2 350.467 0.679 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001341344763 1268945588 /nfs/dbraw/zinc/94/55/88/1268945588.db2.gz JVDPIIWLMHTESN-HNNXBMFYSA-N 2 2 350.467 0.679 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)[NH+](CC)CC ZINC001341642924 1269126845 /nfs/dbraw/zinc/12/68/45/1269126845.db2.gz FHQDIMXGDIZDLG-BZUAXINKSA-N 2 2 365.478 0.082 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001558956726 1269155205 /nfs/dbraw/zinc/15/52/05/1269155205.db2.gz YNKLVYAFMIOSNH-WMLDXEAASA-N 2 2 358.442 0.804 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001558956727 1269155397 /nfs/dbraw/zinc/15/53/97/1269155397.db2.gz YNKLVYAFMIOSNH-YOEHRIQHSA-N 2 2 358.442 0.804 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341959597 1269279693 /nfs/dbraw/zinc/27/96/93/1269279693.db2.gz UCWVWFMLVXUJJP-KBRIMQKVSA-N 2 2 372.473 0.192 20 0 FCADLP C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001562882694 1269354169 /nfs/dbraw/zinc/35/41/69/1269354169.db2.gz OLUHHHOITJYDEG-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137753 1269366248 /nfs/dbraw/zinc/36/62/48/1269366248.db2.gz ZWTRBGVPXGJCNF-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137753 1269366253 /nfs/dbraw/zinc/36/62/53/1269366253.db2.gz ZWTRBGVPXGJCNF-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3COCCO3)CC2)CC1 ZINC001563700833 1269396833 /nfs/dbraw/zinc/39/68/33/1269396833.db2.gz CZETXAPMFNHESC-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3COCCO3)CC2)CC1 ZINC001563700833 1269396837 /nfs/dbraw/zinc/39/68/37/1269396837.db2.gz CZETXAPMFNHESC-QGZVFWFLSA-N 2 2 354.495 0.603 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001565925138 1269520870 /nfs/dbraw/zinc/52/08/70/1269520870.db2.gz UZVOLWNINQLIFS-RRQGHBQHSA-N 2 2 360.462 0.695 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001565925138 1269520874 /nfs/dbraw/zinc/52/08/74/1269520874.db2.gz UZVOLWNINQLIFS-RRQGHBQHSA-N 2 2 360.462 0.695 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)CS(C)(=O)=O ZINC001566049686 1269582238 /nfs/dbraw/zinc/58/22/38/1269582238.db2.gz NAAYFURXEDWQFY-KFWWJZLASA-N 2 2 368.503 0.413 20 0 FCADLP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)CS(C)(=O)=O ZINC001566049686 1269582244 /nfs/dbraw/zinc/58/22/44/1269582244.db2.gz NAAYFURXEDWQFY-KFWWJZLASA-N 2 2 368.503 0.413 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC001568482996 1269734278 /nfs/dbraw/zinc/73/42/78/1269734278.db2.gz DLSWXUKEQHUKRN-UKRRQHHQSA-N 2 2 360.462 0.253 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC001568482996 1269734284 /nfs/dbraw/zinc/73/42/84/1269734284.db2.gz DLSWXUKEQHUKRN-UKRRQHHQSA-N 2 2 360.462 0.253 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC001568482996 1269734289 /nfs/dbraw/zinc/73/42/89/1269734289.db2.gz DLSWXUKEQHUKRN-UKRRQHHQSA-N 2 2 360.462 0.253 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC001568482996 1269734292 /nfs/dbraw/zinc/73/42/92/1269734292.db2.gz DLSWXUKEQHUKRN-UKRRQHHQSA-N 2 2 360.462 0.253 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001343823999 1270022307 /nfs/dbraw/zinc/02/23/07/1270022307.db2.gz VKDOTTRXTOCGIQ-INIZCTEOSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001343823999 1270022319 /nfs/dbraw/zinc/02/23/19/1270022319.db2.gz VKDOTTRXTOCGIQ-INIZCTEOSA-N 2 2 370.457 0.404 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001344741466 1270230790 /nfs/dbraw/zinc/23/07/90/1270230790.db2.gz GCCHIBIPRNWJRI-IRXDYDNUSA-N 2 2 373.501 0.898 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001573143062 1270614894 /nfs/dbraw/zinc/61/48/94/1270614894.db2.gz KNQINWWWXYILBA-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001573143062 1270614901 /nfs/dbraw/zinc/61/49/01/1270614901.db2.gz KNQINWWWXYILBA-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001573143062 1270614904 /nfs/dbraw/zinc/61/49/04/1270614904.db2.gz KNQINWWWXYILBA-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001573143062 1270614907 /nfs/dbraw/zinc/61/49/07/1270614907.db2.gz KNQINWWWXYILBA-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574256116 1271128482 /nfs/dbraw/zinc/12/84/82/1271128482.db2.gz XUAFOWGEXKALCC-STQMWFEESA-N 2 2 356.434 0.391 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574256116 1271128484 /nfs/dbraw/zinc/12/84/84/1271128484.db2.gz XUAFOWGEXKALCC-STQMWFEESA-N 2 2 356.434 0.391 20 0 FCADLP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574366229 1271235043 /nfs/dbraw/zinc/23/50/43/1271235043.db2.gz YDOQZKBSKXPMGG-GDBMZVCRSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574366229 1271235044 /nfs/dbraw/zinc/23/50/44/1271235044.db2.gz YDOQZKBSKXPMGG-GDBMZVCRSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574671059 1271472851 /nfs/dbraw/zinc/47/28/51/1271472851.db2.gz ITLLPBGFJHLGLB-GFCCVEGCSA-N 2 2 355.406 0.277 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873371 1271625222 /nfs/dbraw/zinc/62/52/22/1271625222.db2.gz NEKAKFJGEYCECU-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873371 1271625232 /nfs/dbraw/zinc/62/52/32/1271625232.db2.gz NEKAKFJGEYCECU-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873371 1271625237 /nfs/dbraw/zinc/62/52/37/1271625237.db2.gz NEKAKFJGEYCECU-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873371 1271625248 /nfs/dbraw/zinc/62/52/48/1271625248.db2.gz NEKAKFJGEYCECU-AAEUAGOBSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873372 1271625844 /nfs/dbraw/zinc/62/58/44/1271625844.db2.gz NEKAKFJGEYCECU-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873372 1271625855 /nfs/dbraw/zinc/62/58/55/1271625855.db2.gz NEKAKFJGEYCECU-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873372 1271625867 /nfs/dbraw/zinc/62/58/67/1271625867.db2.gz NEKAKFJGEYCECU-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873372 1271625877 /nfs/dbraw/zinc/62/58/77/1271625877.db2.gz NEKAKFJGEYCECU-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875054 1271628850 /nfs/dbraw/zinc/62/88/50/1271628850.db2.gz VKUOCTUXECGLGA-IUODEOHRSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574875054 1271628866 /nfs/dbraw/zinc/62/88/66/1271628866.db2.gz VKUOCTUXECGLGA-IUODEOHRSA-N 2 2 358.450 0.332 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001575114889 1271727042 /nfs/dbraw/zinc/72/70/42/1271727042.db2.gz KXVRNVZMJSWODZ-CZUORRHYSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001575114889 1271727046 /nfs/dbraw/zinc/72/70/46/1271727046.db2.gz KXVRNVZMJSWODZ-CZUORRHYSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575295729 1271882962 /nfs/dbraw/zinc/88/29/62/1271882962.db2.gz YXJNZIHQEWTWKW-ZDUSSCGKSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575393250 1272040061 /nfs/dbraw/zinc/04/00/61/1272040061.db2.gz VKFGQSMPRZOTHJ-VXGBXAGGSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001575401471 1272051396 /nfs/dbraw/zinc/05/13/96/1272051396.db2.gz QMSSJJXCDWBSPZ-OLZOCXBDSA-N 2 2 368.445 0.826 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421496 1272081489 /nfs/dbraw/zinc/08/14/89/1272081489.db2.gz VKQJKZXPBPLDST-WMZOPIPTSA-N 2 2 364.494 0.511 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001575421496 1272081500 /nfs/dbraw/zinc/08/15/00/1272081500.db2.gz VKQJKZXPBPLDST-WMZOPIPTSA-N 2 2 364.494 0.511 20 0 FCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575818591 1272475103 /nfs/dbraw/zinc/47/51/03/1272475103.db2.gz OKDZVBPFBGHDMN-INIZCTEOSA-N 2 2 353.390 0.243 20 0 FCADLP CC(C)[C@H]1CN(C(=O)[C@@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)CC[N@@H+]1C ZINC001575843607 1272518637 /nfs/dbraw/zinc/51/86/37/1272518637.db2.gz YTHPZXUUCZSOJE-RDTXWAMCSA-N 2 2 355.479 0.485 20 0 FCADLP CC(C)[C@H]1CN(C(=O)[C@@]2(C(=O)OC(C)(C)C)C[NH2+]CCO2)CC[N@H+]1C ZINC001575843607 1272518645 /nfs/dbraw/zinc/51/86/45/1272518645.db2.gz YTHPZXUUCZSOJE-RDTXWAMCSA-N 2 2 355.479 0.485 20 0 FCADLP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001576052792 1272784769 /nfs/dbraw/zinc/78/47/69/1272784769.db2.gz NEYANARYNWYJED-STQMWFEESA-N 2 2 367.417 0.372 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001576062004 1272809073 /nfs/dbraw/zinc/80/90/73/1272809073.db2.gz YATVMOJZMZIIBW-XJKSGUPXSA-N 2 2 366.429 0.821 20 0 FCADLP C[C@@H]([NH3+])C1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001576103901 1272887498 /nfs/dbraw/zinc/88/74/98/1272887498.db2.gz UBWWMOKHUATBCG-CVEARBPZSA-N 2 2 355.479 0.080 20 0 FCADLP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256751 1273039319 /nfs/dbraw/zinc/03/93/19/1273039319.db2.gz SJCQRLAPJZCYLH-BLLLJJGKSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576256751 1273039331 /nfs/dbraw/zinc/03/93/31/1273039331.db2.gz SJCQRLAPJZCYLH-BLLLJJGKSA-N 2 2 370.461 0.427 20 0 FCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257025 1273043453 /nfs/dbraw/zinc/04/34/53/1273043453.db2.gz VMCOKZWTEMVIBE-WFASDCNBSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576259848 1273048971 /nfs/dbraw/zinc/04/89/71/1273048971.db2.gz HBSUMOPDKVZKIF-GXFFZTMASA-N 2 2 372.458 0.831 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576498589 1273358341 /nfs/dbraw/zinc/35/83/41/1273358341.db2.gz LTUUEXQGKUXYRN-JSGCOSHPSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499048 1273359865 /nfs/dbraw/zinc/35/98/65/1273359865.db2.gz HNKVZEFJLGLQMN-GXTWGEPZSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499417 1273361105 /nfs/dbraw/zinc/36/11/05/1273361105.db2.gz KDDOALKYXDDNEM-HOTGVXAUSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)[NH+](C)C ZINC001576499417 1273361109 /nfs/dbraw/zinc/36/11/09/1273361109.db2.gz KDDOALKYXDDNEM-HOTGVXAUSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499522 1273361207 /nfs/dbraw/zinc/36/12/07/1273361207.db2.gz RRDJYKYYTAJNFA-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499522 1273361212 /nfs/dbraw/zinc/36/12/12/1273361212.db2.gz RRDJYKYYTAJNFA-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499413 1273362736 /nfs/dbraw/zinc/36/27/36/1273362736.db2.gz KCZFQKZXUCRESU-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001576499413 1273362742 /nfs/dbraw/zinc/36/27/42/1273362742.db2.gz KCZFQKZXUCRESU-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576511905 1273386613 /nfs/dbraw/zinc/38/66/13/1273386613.db2.gz GDBAGJXUKQDPOU-DSRCVFDASA-N 2 2 370.461 0.828 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CCC([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576558117 1273438618 /nfs/dbraw/zinc/43/86/18/1273438618.db2.gz WAGVMEWDUNKGSQ-PREGVCBESA-N 2 2 364.494 0.427 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CCC([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576558117 1273438621 /nfs/dbraw/zinc/43/86/21/1273438621.db2.gz WAGVMEWDUNKGSQ-PREGVCBESA-N 2 2 364.494 0.427 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CCC([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576558117 1273438624 /nfs/dbraw/zinc/43/86/24/1273438624.db2.gz WAGVMEWDUNKGSQ-PREGVCBESA-N 2 2 364.494 0.427 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CCC([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576558117 1273438629 /nfs/dbraw/zinc/43/86/29/1273438629.db2.gz WAGVMEWDUNKGSQ-PREGVCBESA-N 2 2 364.494 0.427 20 0 FCADLP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC2(CC[NH2+]CC2)O1 ZINC001576781865 1273668469 /nfs/dbraw/zinc/66/84/69/1273668469.db2.gz AWASSCDGMRETAK-BBWFWOEESA-N 2 2 367.490 0.236 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576836002 1273768447 /nfs/dbraw/zinc/76/84/47/1273768447.db2.gz UVMGKRHQZHYUCH-CYBMUJFWSA-N 2 2 369.433 0.504 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576836415 1273770905 /nfs/dbraw/zinc/77/09/05/1273770905.db2.gz NPELOIUXQQUWGR-LBPRGKRZSA-N 2 2 369.433 0.275 20 0 FCADLP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576840805 1273780990 /nfs/dbraw/zinc/78/09/90/1273780990.db2.gz JNEHTXISUZITOP-GFCCVEGCSA-N 2 2 355.406 0.195 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576861268 1273824198 /nfs/dbraw/zinc/82/41/98/1273824198.db2.gz POSYRVHTUQVCCD-BZUAXINKSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001576861268 1273824207 /nfs/dbraw/zinc/82/42/07/1273824207.db2.gz POSYRVHTUQVCCD-BZUAXINKSA-N 2 2 364.494 0.430 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879381 /nfs/dbraw/zinc/87/93/81/1273879381.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879390 /nfs/dbraw/zinc/87/93/90/1273879390.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879395 /nfs/dbraw/zinc/87/93/95/1273879395.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCc2c[nH]nn2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879406 /nfs/dbraw/zinc/87/94/06/1273879406.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879417 /nfs/dbraw/zinc/87/94/17/1273879417.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879424 /nfs/dbraw/zinc/87/94/24/1273879424.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879437 /nfs/dbraw/zinc/87/94/37/1273879437.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCc2cn[nH]n2)[C@@H](c2ccccc2)C1 ZINC001576889374 1273879447 /nfs/dbraw/zinc/87/94/47/1273879447.db2.gz KIPZFLIWPNBVJD-QRVBRYPASA-N 2 2 368.485 0.883 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC001577495992 1274452695 /nfs/dbraw/zinc/45/26/95/1274452695.db2.gz HTVXRNPOZFYWMI-OWCLPIDISA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC001577495992 1274452698 /nfs/dbraw/zinc/45/26/98/1274452698.db2.gz HTVXRNPOZFYWMI-OWCLPIDISA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC001577495992 1274452701 /nfs/dbraw/zinc/45/27/01/1274452701.db2.gz HTVXRNPOZFYWMI-OWCLPIDISA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC001577495992 1274452705 /nfs/dbraw/zinc/45/27/05/1274452705.db2.gz HTVXRNPOZFYWMI-OWCLPIDISA-N 2 2 357.462 0.769 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577560835 1274509581 /nfs/dbraw/zinc/50/95/81/1274509581.db2.gz JDBJIEROSKBCBW-OAHLLOKOSA-N 2 2 372.477 0.935 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577560835 1274509584 /nfs/dbraw/zinc/50/95/84/1274509584.db2.gz JDBJIEROSKBCBW-OAHLLOKOSA-N 2 2 372.477 0.935 20 0 FCADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577563032 1274515639 /nfs/dbraw/zinc/51/56/39/1274515639.db2.gz KQESRDMNZFOFED-UHFFFAOYSA-N 2 2 363.491 0.818 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577563032 1274515644 /nfs/dbraw/zinc/51/56/44/1274515644.db2.gz KQESRDMNZFOFED-UHFFFAOYSA-N 2 2 363.491 0.818 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577563688 1274517998 /nfs/dbraw/zinc/51/79/98/1274517998.db2.gz XGCMDWDVTLAJFD-XMQYKBBCSA-N 2 2 370.461 0.402 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001577563688 1274518008 /nfs/dbraw/zinc/51/80/08/1274518008.db2.gz XGCMDWDVTLAJFD-XMQYKBBCSA-N 2 2 370.461 0.402 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H](CC[NH2+]CCc3cn[nH]n3)C1)CC2 ZINC001577572406 1274535411 /nfs/dbraw/zinc/53/54/11/1274535411.db2.gz UCIWENDABDUJBN-JKSUJKDBSA-N 2 2 371.489 0.943 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H](CC[NH2+]CCc3c[nH]nn3)C1)CC2 ZINC001577572406 1274535418 /nfs/dbraw/zinc/53/54/18/1274535418.db2.gz UCIWENDABDUJBN-JKSUJKDBSA-N 2 2 371.489 0.943 20 0 FCADLP CCCN(CCNC(=O)C[NH+]1CCCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577606823 1274577980 /nfs/dbraw/zinc/57/79/80/1274577980.db2.gz UUZPUOMHGXVJIY-UHFFFAOYSA-N 2 2 358.450 0.690 20 0 FCADLP CCCN(CCNC(=O)[C@H](CC)[NH+](C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577614924 1274591514 /nfs/dbraw/zinc/59/15/14/1274591514.db2.gz NBRRJYRQFXLKLQ-AWEZNQCLSA-N 2 2 360.466 0.935 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001577804778 1274908553 /nfs/dbraw/zinc/90/85/53/1274908553.db2.gz CTGRBBNHGLKUIL-MRXNPFEDSA-N 2 2 364.494 0.635 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577885663 1275088680 /nfs/dbraw/zinc/08/86/80/1275088680.db2.gz JLQXDAPYCLGDJP-UHFFFAOYSA-N 2 2 358.450 0.642 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895384 1275105491 /nfs/dbraw/zinc/10/54/91/1275105491.db2.gz HVQLDBQJZLRYDG-CYBMUJFWSA-N 2 2 358.450 0.689 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577963565 1275188015 /nfs/dbraw/zinc/18/80/15/1275188015.db2.gz NTFJBCNMLHZVLP-LSDHHAIUSA-N 2 2 371.489 0.997 20 0 FCADLP O=C(NCC1CC([NH2+]CCc2c[nH]nn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577998517 1275250705 /nfs/dbraw/zinc/25/07/05/1275250705.db2.gz OJEAOFBEFPQKFV-UHFFFAOYSA-N 2 2 366.429 0.726 20 0 FCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578038996 1275321120 /nfs/dbraw/zinc/32/11/20/1275321120.db2.gz ZWZUXUCQDAHDJK-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001578038996 1275321128 /nfs/dbraw/zinc/32/11/28/1275321128.db2.gz ZWZUXUCQDAHDJK-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578420042 1275789043 /nfs/dbraw/zinc/78/90/43/1275789043.db2.gz UPAPKHFJZXEKEI-OCCSQVGLSA-N 2 2 358.450 0.544 20 0 FCADLP CC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001578420026 1275789303 /nfs/dbraw/zinc/78/93/03/1275789303.db2.gz RJYAXYUHNVVZFG-HNNXBMFYSA-N 2 2 372.477 0.935 20 0 FCADLP CC[C@H](C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578471655 1275884921 /nfs/dbraw/zinc/88/49/21/1275884921.db2.gz XENAUKFUSDIXEZ-TZMCWYRMSA-N 2 2 358.450 0.639 20 0 FCADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](CCO)C2)[C@@H]1c1ccc(F)cc1 ZINC001578525021 1275957278 /nfs/dbraw/zinc/95/72/78/1275957278.db2.gz MKKPSQVPXBTPML-IKGGRYGDSA-N 2 2 350.438 0.937 20 0 FCADLP C[N@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](CCO)C2)[C@@H]1c1ccc(F)cc1 ZINC001578525021 1275957282 /nfs/dbraw/zinc/95/72/82/1275957282.db2.gz MKKPSQVPXBTPML-IKGGRYGDSA-N 2 2 350.438 0.937 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532692 1275964000 /nfs/dbraw/zinc/96/40/00/1275964000.db2.gz SELDKSGBETWEKU-ZIAGYGMSSA-N 2 2 355.483 0.589 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532692 1275964004 /nfs/dbraw/zinc/96/40/04/1275964004.db2.gz SELDKSGBETWEKU-ZIAGYGMSSA-N 2 2 355.483 0.589 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578883237 1276413981 /nfs/dbraw/zinc/41/39/81/1276413981.db2.gz NWWOWDYCMSHHGE-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578883237 1276413985 /nfs/dbraw/zinc/41/39/85/1276413985.db2.gz NWWOWDYCMSHHGE-OAHLLOKOSA-N 2 2 366.429 0.865 20 0 FCADLP C[NH+](C)CC1(C(=O)NC2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001578972385 1276518226 /nfs/dbraw/zinc/51/82/26/1276518226.db2.gz OXMMYWALCOSWJD-UHFFFAOYSA-N 2 2 355.446 0.509 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)C(=O)CC[NH+](C)C ZINC001578973217 1276518860 /nfs/dbraw/zinc/51/88/60/1276518860.db2.gz JISFJAYYMOOTNP-LBPRGKRZSA-N 2 2 363.491 0.913 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)C(=O)CC[NH+](C)C ZINC001578973217 1276518863 /nfs/dbraw/zinc/51/88/63/1276518863.db2.gz JISFJAYYMOOTNP-LBPRGKRZSA-N 2 2 363.491 0.913 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001578980783 1276542466 /nfs/dbraw/zinc/54/24/66/1276542466.db2.gz PPQFUGKIPPBLFE-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001578980783 1276542469 /nfs/dbraw/zinc/54/24/69/1276542469.db2.gz PPQFUGKIPPBLFE-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007702 1276580835 /nfs/dbraw/zinc/58/08/35/1276580835.db2.gz ZTXXMUDPPBQEHR-LBPRGKRZSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007702 1276580837 /nfs/dbraw/zinc/58/08/37/1276580837.db2.gz ZTXXMUDPPBQEHR-LBPRGKRZSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007723 1276580906 /nfs/dbraw/zinc/58/09/06/1276580906.db2.gz AROQHYJSVIPGPF-GFCCVEGCSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007723 1276580913 /nfs/dbraw/zinc/58/09/13/1276580913.db2.gz AROQHYJSVIPGPF-GFCCVEGCSA-N 2 2 356.434 0.441 20 0 FCADLP CN(CCNC(=O)C[N@H+](C)CC(C)(C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579016970 1276592930 /nfs/dbraw/zinc/59/29/30/1276592930.db2.gz ZKJJSKYBCQSPMR-UHFFFAOYSA-N 2 2 360.466 0.792 20 0 FCADLP CN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579016970 1276592941 /nfs/dbraw/zinc/59/29/41/1276592941.db2.gz ZKJJSKYBCQSPMR-UHFFFAOYSA-N 2 2 360.466 0.792 20 0 FCADLP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]cn1C ZINC001579134317 1276831071 /nfs/dbraw/zinc/83/10/71/1276831071.db2.gz SHDAIHQPLRQMDN-UHFFFAOYSA-N 2 2 368.445 0.733 20 0 FCADLP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]cn1C ZINC001579134317 1276831088 /nfs/dbraw/zinc/83/10/88/1276831088.db2.gz SHDAIHQPLRQMDN-UHFFFAOYSA-N 2 2 368.445 0.733 20 0 FCADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579256527 1277052903 /nfs/dbraw/zinc/05/29/03/1277052903.db2.gz ZNWKKQHHIXZPAM-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579256527 1277052905 /nfs/dbraw/zinc/05/29/05/1277052905.db2.gz ZNWKKQHHIXZPAM-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579322890 1277137960 /nfs/dbraw/zinc/13/79/60/1277137960.db2.gz JOVQTNGIOGUCQJ-UHFFFAOYSA-N 2 2 369.473 0.851 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335416 1277175875 /nfs/dbraw/zinc/17/58/75/1277175875.db2.gz QMVREIAFPPJCGA-WFASDCNBSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335416 1277175879 /nfs/dbraw/zinc/17/58/79/1277175879.db2.gz QMVREIAFPPJCGA-WFASDCNBSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335416 1277175881 /nfs/dbraw/zinc/17/58/81/1277175881.db2.gz QMVREIAFPPJCGA-WFASDCNBSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335416 1277175883 /nfs/dbraw/zinc/17/58/83/1277175883.db2.gz QMVREIAFPPJCGA-WFASDCNBSA-N 2 2 373.436 0.648 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC001579349955 1277205101 /nfs/dbraw/zinc/20/51/01/1277205101.db2.gz HUDQFAPEDSPLBE-MRXNPFEDSA-N 2 2 353.488 0.813 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353158 1277212354 /nfs/dbraw/zinc/21/23/54/1277212354.db2.gz FEWHWGWHTHTGKI-MRXNPFEDSA-N 2 2 355.446 0.604 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353158 1277212357 /nfs/dbraw/zinc/21/23/57/1277212357.db2.gz FEWHWGWHTHTGKI-MRXNPFEDSA-N 2 2 355.446 0.604 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355059 1277217732 /nfs/dbraw/zinc/21/77/32/1277217732.db2.gz CNOUUIVKKGQANA-CRAIPNDOSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579355059 1277217734 /nfs/dbraw/zinc/21/77/34/1277217734.db2.gz CNOUUIVKKGQANA-CRAIPNDOSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356764 1277221646 /nfs/dbraw/zinc/22/16/46/1277221646.db2.gz MVBNSBYVXAMWMP-CABCVRRESA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356764 1277221667 /nfs/dbraw/zinc/22/16/67/1277221667.db2.gz MVBNSBYVXAMWMP-CABCVRRESA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358634 1277227694 /nfs/dbraw/zinc/22/76/94/1277227694.db2.gz HAOJKPKQOXURCZ-GJZGRUSLSA-N 2 2 370.461 0.687 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001579358634 1277227695 /nfs/dbraw/zinc/22/76/95/1277227695.db2.gz HAOJKPKQOXURCZ-GJZGRUSLSA-N 2 2 370.461 0.687 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358763 1277229162 /nfs/dbraw/zinc/22/91/62/1277229162.db2.gz JLHPMKNNCZPAAY-GOEBONIOSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358763 1277229164 /nfs/dbraw/zinc/22/91/64/1277229164.db2.gz JLHPMKNNCZPAAY-GOEBONIOSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358763 1277229167 /nfs/dbraw/zinc/22/91/67/1277229167.db2.gz JLHPMKNNCZPAAY-GOEBONIOSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001579358763 1277229169 /nfs/dbraw/zinc/22/91/69/1277229169.db2.gz JLHPMKNNCZPAAY-GOEBONIOSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359200 1277230602 /nfs/dbraw/zinc/23/06/02/1277230602.db2.gz QALYAJDAIYBHNR-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579359200 1277230657 /nfs/dbraw/zinc/23/06/57/1277230657.db2.gz QALYAJDAIYBHNR-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359672 1277233404 /nfs/dbraw/zinc/23/34/04/1277233404.db2.gz ZONGVAIYYGOFFI-INIZCTEOSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359672 1277233405 /nfs/dbraw/zinc/23/34/05/1277233405.db2.gz ZONGVAIYYGOFFI-INIZCTEOSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579360867 1277235102 /nfs/dbraw/zinc/23/51/02/1277235102.db2.gz KHNXHQOAJRYNKE-ZENOOKHLSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579360867 1277235108 /nfs/dbraw/zinc/23/51/08/1277235108.db2.gz KHNXHQOAJRYNKE-ZENOOKHLSA-N 2 2 370.461 0.475 20 0 FCADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361475 1277238923 /nfs/dbraw/zinc/23/89/23/1277238923.db2.gz LJKXAJIRRVTWRC-SEEARECTSA-N 2 2 370.461 0.569 20 0 FCADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579361475 1277238932 /nfs/dbraw/zinc/23/89/32/1277238932.db2.gz LJKXAJIRRVTWRC-SEEARECTSA-N 2 2 370.461 0.569 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579365587 1277243070 /nfs/dbraw/zinc/24/30/70/1277243070.db2.gz IGMHGEUQVUEISV-AWEZNQCLSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579365587 1277243072 /nfs/dbraw/zinc/24/30/72/1277243072.db2.gz IGMHGEUQVUEISV-AWEZNQCLSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579366316 1277247140 /nfs/dbraw/zinc/24/71/40/1277247140.db2.gz RUOGEVYEDRHYPJ-HNNXBMFYSA-N 2 2 356.434 0.395 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579366316 1277247141 /nfs/dbraw/zinc/24/71/41/1277247141.db2.gz RUOGEVYEDRHYPJ-HNNXBMFYSA-N 2 2 356.434 0.395 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001713927412 1287307703 /nfs/dbraw/zinc/30/77/03/1287307703.db2.gz OZIYNLXCTXGBNY-CEUNWQGGSA-N 2 2 357.882 0.809 20 0 FCADLP Cc1nc(N2CCN(c3nnc([C@H]4CCCO4)n3C[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC001579880515 1277947938 /nfs/dbraw/zinc/94/79/38/1277947938.db2.gz LKSRPDSMTUHXKR-UKRRQHHQSA-N 2 2 372.477 0.902 20 0 FCADLP Cn1cc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC[NH3+])cn1 ZINC001579951973 1277978098 /nfs/dbraw/zinc/97/80/98/1277978098.db2.gz WONOOEZQLDWLMT-UHFFFAOYSA-N 2 2 367.461 0.749 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001580270308 1278063105 /nfs/dbraw/zinc/06/31/05/1278063105.db2.gz OYDKVHJDIFBFKY-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CCn1cc[nH+]c1 ZINC001580272661 1278065614 /nfs/dbraw/zinc/06/56/14/1278065614.db2.gz IYKRRRUCMWFNKG-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCc1c[nH+]cn1C ZINC001580278578 1278074425 /nfs/dbraw/zinc/07/44/25/1278074425.db2.gz CNABNQFOFLJXNI-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001580972727 1279173658 /nfs/dbraw/zinc/17/36/58/1279173658.db2.gz BVDXDLCGPDQSSA-LBPRGKRZSA-N 2 2 367.417 0.539 20 0 FCADLP Cc1cc(N[C@@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994239 1279201419 /nfs/dbraw/zinc/20/14/19/1279201419.db2.gz SMIDKEJGFYKXCO-HNNXBMFYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581006367 1279224885 /nfs/dbraw/zinc/22/48/85/1279224885.db2.gz PREKSYDUGYFQEN-ZDUSSCGKSA-N 2 2 367.417 0.210 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007918 1279230220 /nfs/dbraw/zinc/23/02/20/1279230220.db2.gz DEAAYCPZMZNZFS-QMTHXVAHSA-N 2 2 367.417 0.217 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581011697 1279238322 /nfs/dbraw/zinc/23/83/22/1279238322.db2.gz NDCRSYWMVNZMKJ-LBPRGKRZSA-N 2 2 369.433 0.456 20 0 FCADLP Cc1cc(NC[C@H](C)N(C)C(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581012207 1279239078 /nfs/dbraw/zinc/23/90/78/1279239078.db2.gz UFKMORLOTJSEOM-LBPRGKRZSA-N 2 2 369.433 0.227 20 0 FCADLP Cc1cc(NC[C@H](C)NC(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581031921 1279270068 /nfs/dbraw/zinc/27/00/68/1279270068.db2.gz NUAADEONKCXRPD-ZDUSSCGKSA-N 2 2 369.433 0.586 20 0 FCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001603264522 1287343781 /nfs/dbraw/zinc/34/37/81/1287343781.db2.gz IVDQPTRRGTULCF-BBRMVZONSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001603264522 1287343788 /nfs/dbraw/zinc/34/37/88/1287343788.db2.gz IVDQPTRRGTULCF-BBRMVZONSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001603298428 1287348597 /nfs/dbraw/zinc/34/85/97/1287348597.db2.gz OPVVBLQMSPVENE-QGZVFWFLSA-N 2 2 374.489 0.973 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581338339 1279718258 /nfs/dbraw/zinc/71/82/58/1279718258.db2.gz IHGUUAMYSAXJJN-UHFFFAOYSA-N 2 2 366.429 0.620 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581338480 1279718729 /nfs/dbraw/zinc/71/87/29/1279718729.db2.gz MAZJTLFBYZPIQW-HNNXBMFYSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581338480 1279718736 /nfs/dbraw/zinc/71/87/36/1279718736.db2.gz MAZJTLFBYZPIQW-HNNXBMFYSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581340609 1279722131 /nfs/dbraw/zinc/72/21/31/1279722131.db2.gz SHSGWVQTRXBIBO-NSHDSACASA-N 2 2 374.474 0.975 20 0 FCADLP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001716100755 1287372053 /nfs/dbraw/zinc/37/20/53/1287372053.db2.gz UYTZNDUPQSSDNL-USXIJHARSA-N 2 2 358.442 0.799 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC001716695762 1287387541 /nfs/dbraw/zinc/38/75/41/1287387541.db2.gz YZZRBUYOZMUVIA-HUUCEWRRSA-N 2 2 355.442 0.661 20 0 FCADLP CCNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001716888485 1287393232 /nfs/dbraw/zinc/39/32/32/1287393232.db2.gz WBZSOPCEXGNOFD-HUUCEWRRSA-N 2 2 361.490 0.878 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@H]1C ZINC001581563703 1280141289 /nfs/dbraw/zinc/14/12/89/1280141289.db2.gz LILFILDPUDODMF-BXUZGUMPSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581564417 1280142721 /nfs/dbraw/zinc/14/27/21/1280142721.db2.gz QPKNWBIGVVTXGM-OAHLLOKOSA-N 2 2 367.417 0.195 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581816245 1280563225 /nfs/dbraw/zinc/56/32/25/1280563225.db2.gz PLWLVTADCMESSX-UHFFFAOYSA-N 2 2 366.429 0.391 20 0 FCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603614486 1287444523 /nfs/dbraw/zinc/44/45/23/1287444523.db2.gz TXTNJDLULMNYTM-CHWSQXEVSA-N 2 2 369.433 0.666 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582089158 1281043272 /nfs/dbraw/zinc/04/32/72/1281043272.db2.gz WNTSBFKYUULCIQ-UHFFFAOYSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582090309 1281047596 /nfs/dbraw/zinc/04/75/96/1281047596.db2.gz OUAFLRAGMSBADH-HAQNSBGRSA-N 2 2 372.458 0.952 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582100809 1281057927 /nfs/dbraw/zinc/05/79/27/1281057927.db2.gz PFYBTKQWQLVYIN-CQSZACIVSA-N 2 2 370.461 0.690 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582169039 1281134314 /nfs/dbraw/zinc/13/43/14/1281134314.db2.gz APMIQBICKAGYIF-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582183189 1281160587 /nfs/dbraw/zinc/16/05/87/1281160587.db2.gz VNELDJORMZZZHA-OAHLLOKOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001582196331 1281176329 /nfs/dbraw/zinc/17/63/29/1281176329.db2.gz GYOPPERARPGCAQ-UHFFFAOYSA-N 2 2 358.431 0.563 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582196208 1281177017 /nfs/dbraw/zinc/17/70/17/1281177017.db2.gz GIHSBHVFIDEGQK-JSGCOSHPSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582195368 1281177213 /nfs/dbraw/zinc/17/72/13/1281177213.db2.gz WZIGMUUYXXNWPU-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001582196548 1281178057 /nfs/dbraw/zinc/17/80/57/1281178057.db2.gz NFLFPEVWSGDPRP-UHFFFAOYSA-N 2 2 367.417 0.421 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582197522 1281181926 /nfs/dbraw/zinc/18/19/26/1281181926.db2.gz SDDFAVURNWXHAJ-HUUCEWRRSA-N 2 2 367.417 0.420 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C12CC[NH+](CC1)C2 ZINC001582310048 1281308830 /nfs/dbraw/zinc/30/88/30/1281308830.db2.gz HXYUGNKWDKXPCD-MRXNPFEDSA-N 2 2 367.457 0.653 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)C12CC[NH+](CC1)C2 ZINC001582310048 1281308844 /nfs/dbraw/zinc/30/88/44/1281308844.db2.gz HXYUGNKWDKXPCD-MRXNPFEDSA-N 2 2 367.457 0.653 20 0 FCADLP O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001638381333 1282691095 /nfs/dbraw/zinc/69/10/95/1282691095.db2.gz HBGMFOJCKUSFRE-INIZCTEOSA-N 2 2 355.446 0.344 20 0 FCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001589139556 1282804384 /nfs/dbraw/zinc/80/43/84/1282804384.db2.gz WBOJFXLPIKDVEN-INIZCTEOSA-N 2 2 369.473 0.996 20 0 FCADLP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001589814471 1283043778 /nfs/dbraw/zinc/04/37/78/1283043778.db2.gz ODSXMOGFGNVWSO-GFCCVEGCSA-N 2 2 355.406 0.277 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589913099 1283122094 /nfs/dbraw/zinc/12/20/94/1283122094.db2.gz MLUNOMJKCJMTCZ-UONOGXRCSA-N 2 2 372.477 0.820 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590172958 1283273061 /nfs/dbraw/zinc/27/30/61/1283273061.db2.gz AFUDPIUMFKILRB-WBMJQRKESA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001590175075 1283281409 /nfs/dbraw/zinc/28/14/09/1283281409.db2.gz JEMGCRTWHUIBOS-JSGCOSHPSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590292379 1283423633 /nfs/dbraw/zinc/42/36/33/1283423633.db2.gz XGRMLXUIWVGLSL-DOMZBBRYSA-N 2 2 366.429 0.769 20 0 FCADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001591180250 1284280873 /nfs/dbraw/zinc/28/08/73/1284280873.db2.gz HXEKOEQQSAONCB-MRXNPFEDSA-N 2 2 373.461 0.042 20 0 FCADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001591180250 1284280886 /nfs/dbraw/zinc/28/08/86/1284280886.db2.gz HXEKOEQQSAONCB-MRXNPFEDSA-N 2 2 373.461 0.042 20 0 FCADLP C[NH+]1CCC(N2CCC([NH2+]Cc3nc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC001591181580 1284284993 /nfs/dbraw/zinc/28/49/93/1284284993.db2.gz ZSXDPEJMJDIAOC-UHFFFAOYSA-N 2 2 362.507 0.971 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183360 1284289063 /nfs/dbraw/zinc/28/90/63/1284289063.db2.gz DNFHPOPZNUXZTC-SWLSCSKDSA-N 2 2 369.429 0.430 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001591183360 1284289071 /nfs/dbraw/zinc/28/90/71/1284289071.db2.gz DNFHPOPZNUXZTC-SWLSCSKDSA-N 2 2 369.429 0.430 20 0 FCADLP CNC(=O)CC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC001591207853 1284337851 /nfs/dbraw/zinc/33/78/51/1284337851.db2.gz GDJZWVLDTWPREX-UHFFFAOYSA-N 2 2 366.429 0.673 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001591791901 1284903860 /nfs/dbraw/zinc/90/38/60/1284903860.db2.gz XYBHGMAFHSTRSG-NSCUHMNNSA-N 2 2 366.429 0.903 20 0 FCADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC001591950318 1285020874 /nfs/dbraw/zinc/02/08/74/1285020874.db2.gz YWBJYXXUVBCFHD-CYBMUJFWSA-N 2 2 353.430 0.932 20 0 FCADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC[N@H+]3CC[C@@H](O)C3)c2c1 ZINC001591950318 1285020882 /nfs/dbraw/zinc/02/08/82/1285020882.db2.gz YWBJYXXUVBCFHD-CYBMUJFWSA-N 2 2 353.430 0.932 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001604720763 1287755829 /nfs/dbraw/zinc/75/58/29/1287755829.db2.gz YHEYHAZVFVLWPW-KRWDZBQOSA-N 2 2 372.473 0.917 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001604720763 1287755833 /nfs/dbraw/zinc/75/58/33/1287755833.db2.gz YHEYHAZVFVLWPW-KRWDZBQOSA-N 2 2 372.473 0.917 20 0 FCADLP Cc1cc(N(C)CCCNC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996408 1285050917 /nfs/dbraw/zinc/05/09/17/1285050917.db2.gz LBSDYULUJMFERW-UHFFFAOYSA-N 2 2 369.433 0.799 20 0 FCADLP Cc1cc(NCCNC(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049201 1285095025 /nfs/dbraw/zinc/09/50/25/1285095025.db2.gz KLXCPPJMWXMYKY-UHFFFAOYSA-N 2 2 355.406 0.197 20 0 FCADLP Cc1nc(-c2nn[nH]n2)cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001592338602 1285248845 /nfs/dbraw/zinc/24/88/45/1285248845.db2.gz JJUSSTTVUYBXHH-AWEZNQCLSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1nc(-c2nn[nH]n2)cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001592338602 1285248850 /nfs/dbraw/zinc/24/88/50/1285248850.db2.gz JJUSSTTVUYBXHH-AWEZNQCLSA-N 2 2 357.466 0.570 20 0 FCADLP Cc1nc(-c2nn[nH]n2)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001592340730 1285249796 /nfs/dbraw/zinc/24/97/96/1285249796.db2.gz HTPZADYEUUTUPD-YIONKMFJSA-N 2 2 369.477 0.712 20 0 FCADLP Cc1nc(-c2nn[nH]n2)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001592340730 1285249803 /nfs/dbraw/zinc/24/98/03/1285249803.db2.gz HTPZADYEUUTUPD-YIONKMFJSA-N 2 2 369.477 0.712 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592590014 1285522131 /nfs/dbraw/zinc/52/21/31/1285522131.db2.gz DPKHYEXQNAOLNX-VXGBXAGGSA-N 2 2 367.417 0.139 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592860192 1285762557 /nfs/dbraw/zinc/76/25/57/1285762557.db2.gz QQAXLBTUYZPQKV-OWOJBTEDSA-N 2 2 366.429 0.916 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593400583 1286121802 /nfs/dbraw/zinc/12/18/02/1286121802.db2.gz RKJTYEUEWSFPEO-MRXNPFEDSA-N 2 2 355.446 0.305 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001593400583 1286121807 /nfs/dbraw/zinc/12/18/07/1286121807.db2.gz RKJTYEUEWSFPEO-MRXNPFEDSA-N 2 2 355.446 0.305 20 0 FCADLP c1nc(-c2nn[nH]n2)nn1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001593574983 1286203652 /nfs/dbraw/zinc/20/36/52/1286203652.db2.gz HKFMRGVOZCCKAB-UHFFFAOYSA-N 2 2 367.461 0.755 20 0 FCADLP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001704664383 1286277467 /nfs/dbraw/zinc/27/74/67/1286277467.db2.gz MTSZLVSRDOADJD-BZUAXINKSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001707017971 1286433640 /nfs/dbraw/zinc/43/36/40/1286433640.db2.gz QLHAKHUJYVDKGJ-ZIAGYGMSSA-N 2 2 351.499 0.706 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(-c4nn[nH]n4)cc3)CCC2)CC1 ZINC001604862341 1287802723 /nfs/dbraw/zinc/80/27/23/1287802723.db2.gz FJKUIOQKTAKDTE-UHFFFAOYSA-N 2 2 355.446 0.610 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243549 1287935910 /nfs/dbraw/zinc/93/59/10/1287935910.db2.gz AYONKFFTWVSRBA-FVQBIDKESA-N 2 2 365.478 0.272 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243549 1287935915 /nfs/dbraw/zinc/93/59/15/1287935915.db2.gz AYONKFFTWVSRBA-FVQBIDKESA-N 2 2 365.478 0.272 20 0 FCADLP Cc1cc(N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605697558 1288053190 /nfs/dbraw/zinc/05/31/90/1288053190.db2.gz LVZGFBJQXMDVCA-UHFFFAOYSA-N 2 2 367.417 0.575 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@@H](O)C1 ZINC001719297952 1288060810 /nfs/dbraw/zinc/06/08/10/1288060810.db2.gz VRMDNAQNEZDTTM-CVEARBPZSA-N 2 2 362.474 0.650 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)[C@@H](O)C1 ZINC001719297952 1288060812 /nfs/dbraw/zinc/06/08/12/1288060812.db2.gz VRMDNAQNEZDTTM-CVEARBPZSA-N 2 2 362.474 0.650 20 0 FCADLP Cc1cc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605720120 1288060761 /nfs/dbraw/zinc/06/07/61/1288060761.db2.gz FWYKVYYKHGUPMT-UHFFFAOYSA-N 2 2 367.417 0.409 20 0 FCADLP Cc1cc(NC2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605722774 1288061902 /nfs/dbraw/zinc/06/19/02/1288061902.db2.gz KBAOPRCODOLUCD-UHFFFAOYSA-N 2 2 367.417 0.359 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606546054 1288374861 /nfs/dbraw/zinc/37/48/61/1288374861.db2.gz UNXWIYMDXUVGIN-KBPBESRZSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606546057 1288375676 /nfs/dbraw/zinc/37/56/76/1288375676.db2.gz UNXWIYMDXUVGIN-ZIAGYGMSSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001606620965 1288413568 /nfs/dbraw/zinc/41/35/68/1288413568.db2.gz XBRGXLXOJZTTMP-BETUJISGSA-N 2 2 370.392 0.639 20 0 FCADLP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725992500 1288484098 /nfs/dbraw/zinc/48/40/98/1288484098.db2.gz QCFLMIXQUYWARY-NUEKZKHPSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725992500 1288484105 /nfs/dbraw/zinc/48/41/05/1288484105.db2.gz QCFLMIXQUYWARY-NUEKZKHPSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NCc3cccnc3)C2)CC[N@@H+]1C ZINC001732126671 1288576319 /nfs/dbraw/zinc/57/63/19/1288576319.db2.gz GKUAJIBLSISBMW-RHSMWYFYSA-N 2 2 359.474 0.086 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NCc3cccnc3)C2)CC[N@H+]1C ZINC001732126671 1288576320 /nfs/dbraw/zinc/57/63/20/1288576320.db2.gz GKUAJIBLSISBMW-RHSMWYFYSA-N 2 2 359.474 0.086 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@@H](O)Cc3ccccc3)C2)CC[N@@H+]1C ZINC001733498497 1288616157 /nfs/dbraw/zinc/61/61/57/1288616157.db2.gz IDJAZHHGDFSSAB-BPQIPLTHSA-N 2 2 361.486 0.093 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](C[C@@H](O)Cc3ccccc3)C2)CC[N@H+]1C ZINC001733498497 1288616163 /nfs/dbraw/zinc/61/61/63/1288616163.db2.gz IDJAZHHGDFSSAB-BPQIPLTHSA-N 2 2 361.486 0.093 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095758 1288659156 /nfs/dbraw/zinc/65/91/56/1288659156.db2.gz XZRBKUTVSFSCPQ-KFWWJZLASA-N 2 2 374.445 0.059 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095758 1288659159 /nfs/dbraw/zinc/65/91/59/1288659159.db2.gz XZRBKUTVSFSCPQ-KFWWJZLASA-N 2 2 374.445 0.059 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)C[NH+]1CCCCC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC001609524191 1289194124 /nfs/dbraw/zinc/19/41/24/1289194124.db2.gz ZZSZGRDDBSCVON-MRXNPFEDSA-N 2 2 373.461 0.632 20 0 FCADLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCC[NH2+]CCS(C)(=O)=O ZINC001691900386 1289336764 /nfs/dbraw/zinc/33/67/64/1289336764.db2.gz FQUNVPKWQXLBTC-HZPDHXFCSA-N 2 2 370.519 0.925 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001692031848 1289372086 /nfs/dbraw/zinc/37/20/86/1289372086.db2.gz SSPHZXXEMPXAAD-AXAPSJFSSA-N 2 2 359.430 0.503 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](CCO)Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001692037157 1289373660 /nfs/dbraw/zinc/37/36/60/1289373660.db2.gz VMXAVIIQENPXGF-BPQIPLTHSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](CCO)Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001692037157 1289373671 /nfs/dbraw/zinc/37/36/71/1289373671.db2.gz VMXAVIIQENPXGF-BPQIPLTHSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](CCO)Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001692037157 1289373680 /nfs/dbraw/zinc/37/36/80/1289373680.db2.gz VMXAVIIQENPXGF-BPQIPLTHSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](CCO)Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001692037157 1289373690 /nfs/dbraw/zinc/37/36/90/1289373690.db2.gz VMXAVIIQENPXGF-BPQIPLTHSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001692063420 1289381177 /nfs/dbraw/zinc/38/11/77/1289381177.db2.gz ATRZFYZENCEGRQ-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001692063420 1289381188 /nfs/dbraw/zinc/38/11/88/1289381188.db2.gz ATRZFYZENCEGRQ-HYVNUMGLSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)[C@@H]1C ZINC001692181888 1289418166 /nfs/dbraw/zinc/41/81/66/1289418166.db2.gz DUDWEKLLCCLBTQ-CVEARBPZSA-N 2 2 370.519 0.984 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)[C@@H]1C ZINC001692181888 1289418171 /nfs/dbraw/zinc/41/81/71/1289418171.db2.gz DUDWEKLLCCLBTQ-CVEARBPZSA-N 2 2 370.519 0.984 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001692281127 1289440630 /nfs/dbraw/zinc/44/06/30/1289440630.db2.gz RXWIFIFIVXHABG-CABCVRRESA-N 2 2 352.458 0.480 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001692281127 1289440634 /nfs/dbraw/zinc/44/06/34/1289440634.db2.gz RXWIFIFIVXHABG-CABCVRRESA-N 2 2 352.458 0.480 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001692284202 1289442791 /nfs/dbraw/zinc/44/27/91/1289442791.db2.gz JOIWFLCPXFYYHL-OAGGEKHMSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001692284202 1289442796 /nfs/dbraw/zinc/44/27/96/1289442796.db2.gz JOIWFLCPXFYYHL-OAGGEKHMSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[N@@H+]1CC(=O)N(C)C ZINC001692390979 1289456438 /nfs/dbraw/zinc/45/64/38/1289456438.db2.gz NDTQROLMINMAQH-AEFFLSMTSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[N@H+]1CC(=O)N(C)C ZINC001692390979 1289456442 /nfs/dbraw/zinc/45/64/42/1289456442.db2.gz NDTQROLMINMAQH-AEFFLSMTSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[NH+]1CC(=O)N(C)C ZINC001692390979 1289456447 /nfs/dbraw/zinc/45/64/47/1289456447.db2.gz NDTQROLMINMAQH-AEFFLSMTSA-N 2 2 360.502 0.828 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[NH+]1CC(=O)N(C)C ZINC001692390979 1289456453 /nfs/dbraw/zinc/45/64/53/1289456453.db2.gz NDTQROLMINMAQH-AEFFLSMTSA-N 2 2 360.502 0.828 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001698083300 1289524180 /nfs/dbraw/zinc/52/41/80/1289524180.db2.gz ZQUUSDVXCROLOB-MRXNPFEDSA-N 2 2 359.478 0.814 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(=O)NC1CCCC1 ZINC001698761366 1289534846 /nfs/dbraw/zinc/53/48/46/1289534846.db2.gz HRDNJYDRKCWTDW-FVQBIDKESA-N 2 2 361.490 0.924 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCN1CCNC1=O ZINC001698972805 1289540964 /nfs/dbraw/zinc/54/09/64/1289540964.db2.gz UTTXAXYSULYUIN-KFWWJZLASA-N 2 2 362.478 0.279 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCN(C)C(=O)CC3CC3)CC2)CC[N@@H+]1C ZINC001737946096 1289616556 /nfs/dbraw/zinc/61/65/56/1289616556.db2.gz XFBOHGFHZDWJDA-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCN(C)C(=O)CC3CC3)CC2)CC[N@H+]1C ZINC001737946096 1289616563 /nfs/dbraw/zinc/61/65/63/1289616563.db2.gz XFBOHGFHZDWJDA-NVXWUHKLSA-N 2 2 350.507 0.729 20 0 FCADLP CC[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001621641766 1290046698 /nfs/dbraw/zinc/04/66/98/1290046698.db2.gz WXVGOCBKXZVPPM-GOSISDBHSA-N 2 2 366.531 0.905 20 0 FCADLP CC[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001621641766 1290046707 /nfs/dbraw/zinc/04/67/07/1290046707.db2.gz WXVGOCBKXZVPPM-GOSISDBHSA-N 2 2 366.531 0.905 20 0 FCADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001623498912 1290223200 /nfs/dbraw/zinc/22/32/00/1290223200.db2.gz JCHNQBYPDLUQEK-CVEARBPZSA-N 2 2 365.478 0.056 20 0 FCADLP COCCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC001628813975 1290556171 /nfs/dbraw/zinc/55/61/71/1290556171.db2.gz OLEVKXDQGLNCMF-OAHLLOKOSA-N 2 2 350.467 0.165 20 0 FCADLP COCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC001628813975 1290556180 /nfs/dbraw/zinc/55/61/80/1290556180.db2.gz OLEVKXDQGLNCMF-OAHLLOKOSA-N 2 2 350.467 0.165 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CNS(=O)(=O)c1cccnc1 ZINC001629326888 1290592988 /nfs/dbraw/zinc/59/29/88/1290592988.db2.gz CORBKVCHUBMOAT-UHFFFAOYSA-N 2 2 372.410 0.888 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001752739086 1290614462 /nfs/dbraw/zinc/61/44/62/1290614462.db2.gz CAQSCVMGKGECTF-LXTVHRRPSA-N 2 2 368.503 0.963 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001752739086 1290614471 /nfs/dbraw/zinc/61/44/71/1290614471.db2.gz CAQSCVMGKGECTF-LXTVHRRPSA-N 2 2 368.503 0.963 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001754396614 1290629142 /nfs/dbraw/zinc/62/91/42/1290629142.db2.gz VBIWZNFNBKHVBQ-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001631132671 1290715996 /nfs/dbraw/zinc/71/59/96/1290715996.db2.gz GFGWVTRTBILCGZ-MRXNPFEDSA-N 2 2 374.485 0.981 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931301 1291380901 /nfs/dbraw/zinc/38/09/01/1291380901.db2.gz LZLRFCIUIKDCGR-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)C(=O)NCC(=O)OC)CC2)CC1 ZINC001653931301 1291380908 /nfs/dbraw/zinc/38/09/08/1291380908.db2.gz LZLRFCIUIKDCGR-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001656840369 1291566382 /nfs/dbraw/zinc/56/63/82/1291566382.db2.gz XJTKNAOLJRBGRB-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001656840369 1291566387 /nfs/dbraw/zinc/56/63/87/1291566387.db2.gz XJTKNAOLJRBGRB-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001656840369 1291566394 /nfs/dbraw/zinc/56/63/94/1291566394.db2.gz XJTKNAOLJRBGRB-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001656840369 1291566400 /nfs/dbraw/zinc/56/64/00/1291566400.db2.gz XJTKNAOLJRBGRB-CABCVRRESA-N 2 2 361.494 0.630 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678369878 1292264700 /nfs/dbraw/zinc/26/47/00/1292264700.db2.gz HYBREBXNUVEYEC-OAHLLOKOSA-N 2 2 360.524 0.231 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001678369878 1292264707 /nfs/dbraw/zinc/26/47/07/1292264707.db2.gz HYBREBXNUVEYEC-OAHLLOKOSA-N 2 2 360.524 0.231 20 0 FCADLP CON1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001679304653 1292301497 /nfs/dbraw/zinc/30/14/97/1292301497.db2.gz UMYJENWOCMNZGC-OAHLLOKOSA-N 2 2 353.511 0.822 20 0 FCADLP CON1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001679304653 1292301506 /nfs/dbraw/zinc/30/15/06/1292301506.db2.gz UMYJENWOCMNZGC-OAHLLOKOSA-N 2 2 353.511 0.822 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001688186686 1293050834 /nfs/dbraw/zinc/05/08/34/1293050834.db2.gz SKSNQKMMGKGXKH-UAGQMJEPSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001688186686 1293050843 /nfs/dbraw/zinc/05/08/43/1293050843.db2.gz SKSNQKMMGKGXKH-UAGQMJEPSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001689093328 1294612704 /nfs/dbraw/zinc/61/27/04/1294612704.db2.gz ZIXIJNBWPWKOMB-AGIUHOORSA-N 2 2 351.451 0.440 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1)CS(C)(=O)=O ZINC001689100009 1294617252 /nfs/dbraw/zinc/61/72/52/1294617252.db2.gz NQPYLKRIEGTCLM-YCPHGPKFSA-N 2 2 370.519 0.850 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)n1 ZINC001689229840 1294685389 /nfs/dbraw/zinc/68/53/89/1294685389.db2.gz CQTURSGTPXYGSJ-KGLIPLIRSA-N 2 2 351.451 0.448 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)n1 ZINC001689229840 1294685398 /nfs/dbraw/zinc/68/53/98/1294685398.db2.gz CQTURSGTPXYGSJ-KGLIPLIRSA-N 2 2 351.451 0.448 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689234720 1294695939 /nfs/dbraw/zinc/69/59/39/1294695939.db2.gz KPOQAPKVLMVJFJ-CABCVRRESA-N 2 2 368.503 0.178 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCCS(C)(=O)=O)CC[C@@H]2C1 ZINC001689234720 1294695947 /nfs/dbraw/zinc/69/59/47/1294695947.db2.gz KPOQAPKVLMVJFJ-CABCVRRESA-N 2 2 368.503 0.178 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001689236873 1294697671 /nfs/dbraw/zinc/69/76/71/1294697671.db2.gz XEKHHZLEYWNKGJ-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001689236873 1294697689 /nfs/dbraw/zinc/69/76/89/1294697689.db2.gz XEKHHZLEYWNKGJ-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001689236873 1294697705 /nfs/dbraw/zinc/69/77/05/1294697705.db2.gz XEKHHZLEYWNKGJ-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001689236873 1294697714 /nfs/dbraw/zinc/69/77/14/1294697714.db2.gz XEKHHZLEYWNKGJ-CVEARBPZSA-N 2 2 366.485 0.870 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001689599192 1294808034 /nfs/dbraw/zinc/80/80/34/1294808034.db2.gz RRDYXWKNPBNKQV-HUUCEWRRSA-N 2 2 371.485 0.917 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC001690576510 1294872747 /nfs/dbraw/zinc/87/27/47/1294872747.db2.gz BOONLAWRWPPFMB-VHDGCEQUSA-N 2 2 360.462 0.347 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC001690576510 1294872755 /nfs/dbraw/zinc/87/27/55/1294872755.db2.gz BOONLAWRWPPFMB-VHDGCEQUSA-N 2 2 360.462 0.347 20 0 FCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001690657644 1294879043 /nfs/dbraw/zinc/87/90/43/1294879043.db2.gz SAJDJJRFRIFGIX-BZUAXINKSA-N 2 2 359.474 0.868 20 0 FCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001690657644 1294879053 /nfs/dbraw/zinc/87/90/53/1294879053.db2.gz SAJDJJRFRIFGIX-BZUAXINKSA-N 2 2 359.474 0.868 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C[NH2+]CCn2cncn2)C1 ZINC001691823702 1294928662 /nfs/dbraw/zinc/92/86/62/1294928662.db2.gz CJMKWMIGDLPQGR-ZACQAIPSSA-N 2 2 371.489 0.954 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(N)[nH+]1)C2 ZINC001164822293 720440251 /nfs/dbraw/zinc/44/02/51/720440251.db2.gz CKSARLOJDGJVPD-HNNXBMFYSA-N 2 2 372.473 0.850 20 0 FCADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC001164728831 720519125 /nfs/dbraw/zinc/51/91/25/720519125.db2.gz LXAIVHZDGRTYKS-HNNXBMFYSA-N 2 2 357.462 0.708 20 0 FCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929164 721884635 /nfs/dbraw/zinc/88/46/35/721884635.db2.gz AGYPVSHZQWLBHX-IRXDYDNUSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929164 721884637 /nfs/dbraw/zinc/88/46/37/721884637.db2.gz AGYPVSHZQWLBHX-IRXDYDNUSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164929164 721884638 /nfs/dbraw/zinc/88/46/38/721884638.db2.gz AGYPVSHZQWLBHX-IRXDYDNUSA-N 2 2 359.522 0.443 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001065714780 837409928 /nfs/dbraw/zinc/40/99/28/837409928.db2.gz ACSLJKMBFFAXCG-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001070338153 837647497 /nfs/dbraw/zinc/64/74/97/837647497.db2.gz TWHAHQVGCSMJLD-CABCVRRESA-N 2 2 357.443 0.778 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCF)CC1 ZINC001070385051 837651175 /nfs/dbraw/zinc/65/11/75/837651175.db2.gz YPLBDGZICOCSFG-PBHICJAKSA-N 2 2 351.426 0.328 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)[C@@H]2C)CC[N@@H+]1C ZINC001074661967 837821671 /nfs/dbraw/zinc/82/16/71/837821671.db2.gz VDHWSEVVBMNWIU-RQJABVFESA-N 2 2 350.467 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)[C@@H]2C)CC[N@H+]1C ZINC001074661967 837821677 /nfs/dbraw/zinc/82/16/77/837821677.db2.gz VDHWSEVVBMNWIU-RQJABVFESA-N 2 2 350.467 0.555 20 0 FCADLP COc1nscc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074711087 837827245 /nfs/dbraw/zinc/82/72/45/837827245.db2.gz QEUNMZZABAJNKO-PAPYEOQZSA-N 2 2 368.503 0.950 20 0 FCADLP COc1nscc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074711087 837827250 /nfs/dbraw/zinc/82/72/50/837827250.db2.gz QEUNMZZABAJNKO-PAPYEOQZSA-N 2 2 368.503 0.950 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099312771 844017838 /nfs/dbraw/zinc/01/78/38/844017838.db2.gz GJAWDWFNBZKKNA-VXGBXAGGSA-N 2 2 357.340 0.223 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099342914 844035088 /nfs/dbraw/zinc/03/50/88/844035088.db2.gz ACNGDYPRRAGOKF-CHWSQXEVSA-N 2 2 359.396 0.995 20 0 FCADLP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C(F)(F)F)C1=O ZINC001099349517 844039551 /nfs/dbraw/zinc/03/95/51/844039551.db2.gz YHOQEQBSTUYFQY-IJLUTSLNSA-N 2 2 359.352 0.093 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749568612 836371440 /nfs/dbraw/zinc/37/14/40/836371440.db2.gz CUICGCHOJBRDMN-JKSUJKDBSA-N 2 2 374.551 0.667 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644823 837875621 /nfs/dbraw/zinc/87/56/21/837875621.db2.gz CVBGJWGZCPRHGQ-ZNMIVQPWSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644823 837875631 /nfs/dbraw/zinc/87/56/31/837875631.db2.gz CVBGJWGZCPRHGQ-ZNMIVQPWSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644823 837875635 /nfs/dbraw/zinc/87/56/35/837875635.db2.gz CVBGJWGZCPRHGQ-ZNMIVQPWSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644823 837875642 /nfs/dbraw/zinc/87/56/42/837875642.db2.gz CVBGJWGZCPRHGQ-ZNMIVQPWSA-N 2 2 350.488 0.815 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805778 838113743 /nfs/dbraw/zinc/11/37/43/838113743.db2.gz UVZWKAQNRQQNQI-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805778 838113749 /nfs/dbraw/zinc/11/37/49/838113749.db2.gz UVZWKAQNRQQNQI-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805778 838113754 /nfs/dbraw/zinc/11/37/54/838113754.db2.gz UVZWKAQNRQQNQI-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805778 838113761 /nfs/dbraw/zinc/11/37/61/838113761.db2.gz UVZWKAQNRQQNQI-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812446 838116475 /nfs/dbraw/zinc/11/64/75/838116475.db2.gz HIJZHRPFPQWCSJ-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812446 838116481 /nfs/dbraw/zinc/11/64/81/838116481.db2.gz HIJZHRPFPQWCSJ-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812446 838116488 /nfs/dbraw/zinc/11/64/88/838116488.db2.gz HIJZHRPFPQWCSJ-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001076812446 838116491 /nfs/dbraw/zinc/11/64/91/838116491.db2.gz HIJZHRPFPQWCSJ-IXDOHACOSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812897 838117739 /nfs/dbraw/zinc/11/77/39/838117739.db2.gz XFJGHABHQVBNGJ-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812897 838117743 /nfs/dbraw/zinc/11/77/43/838117743.db2.gz XFJGHABHQVBNGJ-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812897 838117747 /nfs/dbraw/zinc/11/77/47/838117747.db2.gz XFJGHABHQVBNGJ-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812897 838117749 /nfs/dbraw/zinc/11/77/49/838117749.db2.gz XFJGHABHQVBNGJ-BRWVUGGUSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838698 838128642 /nfs/dbraw/zinc/12/86/42/838128642.db2.gz IYURGIGHUGSYAU-KFWWJZLASA-N 2 2 361.433 0.304 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838698 838128648 /nfs/dbraw/zinc/12/86/48/838128648.db2.gz IYURGIGHUGSYAU-KFWWJZLASA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838698 838128653 /nfs/dbraw/zinc/12/86/53/838128653.db2.gz IYURGIGHUGSYAU-KFWWJZLASA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@H]2O)C1 ZINC001076838698 838128659 /nfs/dbraw/zinc/12/86/59/838128659.db2.gz IYURGIGHUGSYAU-KFWWJZLASA-N 2 2 361.433 0.304 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926636 844332659 /nfs/dbraw/zinc/33/26/59/844332659.db2.gz IFIGDAIZCZAVBL-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926636 844332667 /nfs/dbraw/zinc/33/26/67/844332667.db2.gz IFIGDAIZCZAVBL-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001101927720 844332926 /nfs/dbraw/zinc/33/29/26/844332926.db2.gz NEDWNFXUNCVSPW-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001101927720 844332938 /nfs/dbraw/zinc/33/29/38/844332938.db2.gz NEDWNFXUNCVSPW-RRFJBIMHSA-N 2 2 370.519 0.707 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)c[nH+]1 ZINC001077218355 838822323 /nfs/dbraw/zinc/82/23/23/838822323.db2.gz WTMDLWHQPZJOFG-HZPDHXFCSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2O)c[nH+]1 ZINC001077218355 838822336 /nfs/dbraw/zinc/82/23/36/838822336.db2.gz WTMDLWHQPZJOFG-HZPDHXFCSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)s1 ZINC001077222709 838827040 /nfs/dbraw/zinc/82/70/40/838827040.db2.gz YWNOPTUDQFENNY-GAEVZRCVSA-N 2 2 367.515 0.745 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)s1 ZINC001077222709 838827061 /nfs/dbraw/zinc/82/70/61/838827061.db2.gz YWNOPTUDQFENNY-GAEVZRCVSA-N 2 2 367.515 0.745 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c(C)s1 ZINC001077222709 838827073 /nfs/dbraw/zinc/82/70/73/838827073.db2.gz YWNOPTUDQFENNY-GAEVZRCVSA-N 2 2 367.515 0.745 20 0 FCADLP 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/nfs/dbraw/zinc/63/50/54/839635054.db2.gz WKEULJLXCYZYSB-RBSFLKMASA-N 2 2 350.463 0.056 20 0 FCADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079965817 839635056 /nfs/dbraw/zinc/63/50/56/839635056.db2.gz WKEULJLXCYZYSB-RBSFLKMASA-N 2 2 350.463 0.056 20 0 FCADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079965817 839635065 /nfs/dbraw/zinc/63/50/65/839635065.db2.gz WKEULJLXCYZYSB-RBSFLKMASA-N 2 2 350.463 0.056 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001080137744 839672929 /nfs/dbraw/zinc/67/29/29/839672929.db2.gz MEIJKMLYVDFKDL-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001080137744 839672935 /nfs/dbraw/zinc/67/29/35/839672935.db2.gz MEIJKMLYVDFKDL-FVQBIDKESA-N 2 2 368.503 0.453 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001080137745 839673170 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0.955 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)[C@H](OC)C2)o1 ZINC001081446049 839931846 /nfs/dbraw/zinc/93/18/46/839931846.db2.gz MWRAUNOLORSCSY-IJEWVQPXSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](OC)C2)o1 ZINC001081446049 839931851 /nfs/dbraw/zinc/93/18/51/839931851.db2.gz MWRAUNOLORSCSY-IJEWVQPXSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H](OC)C2)o1 ZINC001081446049 839931853 /nfs/dbraw/zinc/93/18/53/839931853.db2.gz MWRAUNOLORSCSY-IJEWVQPXSA-N 2 2 350.463 0.955 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133569 840203051 /nfs/dbraw/zinc/20/30/51/840203051.db2.gz HOHRLAUWNYWTGS-NUEKZKHPSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133569 840203059 /nfs/dbraw/zinc/20/30/59/840203059.db2.gz HOHRLAUWNYWTGS-NUEKZKHPSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133569 840203070 /nfs/dbraw/zinc/20/30/70/840203070.db2.gz HOHRLAUWNYWTGS-NUEKZKHPSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133569 840203081 /nfs/dbraw/zinc/20/30/81/840203081.db2.gz HOHRLAUWNYWTGS-NUEKZKHPSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134900 840204686 /nfs/dbraw/zinc/20/46/86/840204686.db2.gz HZONCNHUUDDIDI-XGWLTEMNSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001082134900 840204698 /nfs/dbraw/zinc/20/46/98/840204698.db2.gz HZONCNHUUDDIDI-XGWLTEMNSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001082134900 840204706 /nfs/dbraw/zinc/20/47/06/840204706.db2.gz HZONCNHUUDDIDI-XGWLTEMNSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001082134900 840204720 /nfs/dbraw/zinc/20/47/20/840204720.db2.gz HZONCNHUUDDIDI-XGWLTEMNSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102475253 844515776 /nfs/dbraw/zinc/51/57/76/844515776.db2.gz GEVSUVCVUXUNPN-ZIAGYGMSSA-N 2 2 351.451 0.639 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102475253 844515779 /nfs/dbraw/zinc/51/57/79/844515779.db2.gz GEVSUVCVUXUNPN-ZIAGYGMSSA-N 2 2 351.451 0.639 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082492327 840435984 /nfs/dbraw/zinc/43/59/84/840435984.db2.gz PTKZKGMAKOQEGT-QLFBSQMISA-N 2 2 368.503 0.604 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082807601 840570284 /nfs/dbraw/zinc/57/02/84/840570284.db2.gz RJLGYABIRJGHRO-UMVBOHGHSA-N 2 2 351.451 0.598 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082861608 840586700 /nfs/dbraw/zinc/58/67/00/840586700.db2.gz IEKUQVHACYILGK-HZSPNIEDSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082861608 840586706 /nfs/dbraw/zinc/58/67/06/840586706.db2.gz IEKUQVHACYILGK-HZSPNIEDSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082958037 840620643 /nfs/dbraw/zinc/62/06/43/840620643.db2.gz XDYCXUBWQVFXQY-RBSFLKMASA-N 2 2 354.476 0.144 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001102580786 844574586 /nfs/dbraw/zinc/57/45/86/844574586.db2.gz LMVHMNCPTDDZAW-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001102580786 844574591 /nfs/dbraw/zinc/57/45/91/844574591.db2.gz LMVHMNCPTDDZAW-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001102580785 844574915 /nfs/dbraw/zinc/57/49/15/844574915.db2.gz LMVHMNCPTDDZAW-QLFBSQMISA-N 2 2 367.519 0.691 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001102580785 844574917 /nfs/dbraw/zinc/57/49/17/844574917.db2.gz LMVHMNCPTDDZAW-QLFBSQMISA-N 2 2 367.519 0.691 20 0 FCADLP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276211 840858474 /nfs/dbraw/zinc/85/84/74/840858474.db2.gz RELIBQRQXLVRKE-OKZBNKHCSA-N 2 2 351.491 0.833 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276211 840858484 /nfs/dbraw/zinc/85/84/84/840858484.db2.gz RELIBQRQXLVRKE-OKZBNKHCSA-N 2 2 351.491 0.833 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102601089 844592541 /nfs/dbraw/zinc/59/25/41/844592541.db2.gz KDKGTKXNDLGZIA-ZIAGYGMSSA-N 2 2 351.451 0.637 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102601089 844592544 /nfs/dbraw/zinc/59/25/44/844592544.db2.gz KDKGTKXNDLGZIA-ZIAGYGMSSA-N 2 2 351.451 0.637 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102601089 844592550 /nfs/dbraw/zinc/59/25/50/844592550.db2.gz KDKGTKXNDLGZIA-ZIAGYGMSSA-N 2 2 351.451 0.637 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102601089 844592555 /nfs/dbraw/zinc/59/25/55/844592555.db2.gz KDKGTKXNDLGZIA-ZIAGYGMSSA-N 2 2 351.451 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466367 841038304 /nfs/dbraw/zinc/03/83/04/841038304.db2.gz QZAJWLFTTFXWPJ-OAGGEKHMSA-N 2 2 367.881 0.040 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466367 841038314 /nfs/dbraw/zinc/03/83/14/841038314.db2.gz QZAJWLFTTFXWPJ-OAGGEKHMSA-N 2 2 367.881 0.040 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505203 841091531 /nfs/dbraw/zinc/09/15/31/841091531.db2.gz DEESMHNDKIXYAY-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505203 841091543 /nfs/dbraw/zinc/09/15/43/841091543.db2.gz DEESMHNDKIXYAY-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505203 841091555 /nfs/dbraw/zinc/09/15/55/841091555.db2.gz DEESMHNDKIXYAY-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083505203 841091571 /nfs/dbraw/zinc/09/15/71/841091571.db2.gz DEESMHNDKIXYAY-IKGGRYGDSA-N 2 2 350.463 0.827 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583365 841198988 /nfs/dbraw/zinc/19/89/88/841198988.db2.gz CSSAZTKLHSVPHW-BMFZPTHFSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583365 841198993 /nfs/dbraw/zinc/19/89/93/841198993.db2.gz CSSAZTKLHSVPHW-BMFZPTHFSA-N 2 2 360.483 0.911 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696149 841326665 /nfs/dbraw/zinc/32/66/65/841326665.db2.gz LNEPKWLFAIKOPS-RDBSUJKOSA-N 2 2 361.433 0.446 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696149 841326678 /nfs/dbraw/zinc/32/66/78/841326678.db2.gz LNEPKWLFAIKOPS-RDBSUJKOSA-N 2 2 361.433 0.446 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719390 841353031 /nfs/dbraw/zinc/35/30/31/841353031.db2.gz BRCRJRNNSCHBRW-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719390 841353043 /nfs/dbraw/zinc/35/30/43/841353043.db2.gz BRCRJRNNSCHBRW-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719390 841353055 /nfs/dbraw/zinc/35/30/55/841353055.db2.gz BRCRJRNNSCHBRW-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)C1 ZINC001083719390 841353068 /nfs/dbraw/zinc/35/30/68/841353068.db2.gz BRCRJRNNSCHBRW-UAGQMJEPSA-N 2 2 350.463 0.766 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723536 841359526 /nfs/dbraw/zinc/35/95/26/841359526.db2.gz OKGKZISBUUVWET-FRRDWIJNSA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723536 841359548 /nfs/dbraw/zinc/35/95/48/841359548.db2.gz OKGKZISBUUVWET-FRRDWIJNSA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723536 841359560 /nfs/dbraw/zinc/35/95/60/841359560.db2.gz OKGKZISBUUVWET-FRRDWIJNSA-N 2 2 353.385 0.209 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)C1 ZINC001083723536 841359572 /nfs/dbraw/zinc/35/95/72/841359572.db2.gz OKGKZISBUUVWET-FRRDWIJNSA-N 2 2 353.385 0.209 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778843 841423818 /nfs/dbraw/zinc/42/38/18/841423818.db2.gz ZOOIKKFJFYYZHI-XZJROXQQSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778843 841423822 /nfs/dbraw/zinc/42/38/22/841423822.db2.gz ZOOIKKFJFYYZHI-XZJROXQQSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778843 841423825 /nfs/dbraw/zinc/42/38/25/841423825.db2.gz ZOOIKKFJFYYZHI-XZJROXQQSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778843 841423828 /nfs/dbraw/zinc/42/38/28/841423828.db2.gz ZOOIKKFJFYYZHI-XZJROXQQSA-N 2 2 352.504 0.906 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781608 841430242 /nfs/dbraw/zinc/43/02/42/841430242.db2.gz OOFSJQPSLYTYDH-MAZHCROVSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781608 841430248 /nfs/dbraw/zinc/43/02/48/841430248.db2.gz OOFSJQPSLYTYDH-MAZHCROVSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781608 841430253 /nfs/dbraw/zinc/43/02/53/841430253.db2.gz OOFSJQPSLYTYDH-MAZHCROVSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781608 841430262 /nfs/dbraw/zinc/43/02/62/841430262.db2.gz OOFSJQPSLYTYDH-MAZHCROVSA-N 2 2 350.463 0.549 20 0 FCADLP CC1(C)CO[C@@H](C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782690 841432883 /nfs/dbraw/zinc/43/28/83/841432883.db2.gz HESUKDWZAPYKAT-OAGGEKHMSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CO[C@@H](C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782690 841432889 /nfs/dbraw/zinc/43/28/89/841432889.db2.gz HESUKDWZAPYKAT-OAGGEKHMSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782690 841432894 /nfs/dbraw/zinc/43/28/94/841432894.db2.gz HESUKDWZAPYKAT-OAGGEKHMSA-N 2 2 353.507 0.695 20 0 FCADLP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)C1 ZINC001083782690 841432902 /nfs/dbraw/zinc/43/29/02/841432902.db2.gz HESUKDWZAPYKAT-OAGGEKHMSA-N 2 2 353.507 0.695 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001084058299 841673031 /nfs/dbraw/zinc/67/30/31/841673031.db2.gz UEOGQCOVRQQEMN-MSOLQXFVSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001084058299 841673038 /nfs/dbraw/zinc/67/30/38/841673038.db2.gz UEOGQCOVRQQEMN-MSOLQXFVSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001084059016 841673166 /nfs/dbraw/zinc/67/31/66/841673166.db2.gz VLKZEMSRNNXIFG-ZACQAIPSSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001084059016 841673169 /nfs/dbraw/zinc/67/31/69/841673169.db2.gz VLKZEMSRNNXIFG-ZACQAIPSSA-N 2 2 351.422 0.116 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077946 841688280 /nfs/dbraw/zinc/68/82/80/841688280.db2.gz HXTMGWYNTDIUKT-IKGGRYGDSA-N 2 2 367.515 0.563 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077946 841688285 /nfs/dbraw/zinc/68/82/85/841688285.db2.gz HXTMGWYNTDIUKT-IKGGRYGDSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077946 841688290 /nfs/dbraw/zinc/68/82/90/841688290.db2.gz HXTMGWYNTDIUKT-IKGGRYGDSA-N 2 2 367.515 0.563 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001084077946 841688292 /nfs/dbraw/zinc/68/82/92/841688292.db2.gz HXTMGWYNTDIUKT-IKGGRYGDSA-N 2 2 367.515 0.563 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001084115308 841717401 /nfs/dbraw/zinc/71/74/01/841717401.db2.gz HCZXCBUKUYPMRP-SJORKVTESA-N 2 2 350.463 0.784 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001084115308 841717408 /nfs/dbraw/zinc/71/74/08/841717408.db2.gz HCZXCBUKUYPMRP-SJORKVTESA-N 2 2 350.463 0.784 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275878890 861244235 /nfs/dbraw/zinc/24/42/35/861244235.db2.gz MQFANLMTCKRCPG-KVSKMBFKSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001275878890 861244243 /nfs/dbraw/zinc/24/42/43/861244243.db2.gz MQFANLMTCKRCPG-KVSKMBFKSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001275878890 861244250 /nfs/dbraw/zinc/24/42/50/861244250.db2.gz MQFANLMTCKRCPG-KVSKMBFKSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001275878890 861244261 /nfs/dbraw/zinc/24/42/61/861244261.db2.gz MQFANLMTCKRCPG-KVSKMBFKSA-N 2 2 351.491 0.857 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)COCC23C[NH+](CCC2CC2)C3)CC1 ZINC001275894917 861251807 /nfs/dbraw/zinc/25/18/07/861251807.db2.gz CEJKPNBVJQKBOF-UHFFFAOYSA-N 2 2 350.507 0.337 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853152 841935615 /nfs/dbraw/zinc/93/56/15/841935615.db2.gz NRASDTRMDDDIRI-JFIYKMOQSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCC1 ZINC001084853152 841935617 /nfs/dbraw/zinc/93/56/17/841935617.db2.gz NRASDTRMDDDIRI-JFIYKMOQSA-N 2 2 350.507 0.728 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866352 841937369 /nfs/dbraw/zinc/93/73/69/841937369.db2.gz MQNPFFZPEQZMHM-HUUCEWRRSA-N 2 2 361.471 0.648 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866352 841937384 /nfs/dbraw/zinc/93/73/84/841937384.db2.gz MQNPFFZPEQZMHM-HUUCEWRRSA-N 2 2 361.471 0.648 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001084980739 841980716 /nfs/dbraw/zinc/98/07/16/841980716.db2.gz WGBJFVUXONSMIA-CVEARBPZSA-N 2 2 369.531 0.582 20 0 FCADLP CS(=O)(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001084980739 841980719 /nfs/dbraw/zinc/98/07/19/841980719.db2.gz WGBJFVUXONSMIA-CVEARBPZSA-N 2 2 369.531 0.582 20 0 FCADLP O=C(N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001085047812 841998568 /nfs/dbraw/zinc/99/85/68/841998568.db2.gz OINOJAJCTWOKCV-SJORKVTESA-N 2 2 351.491 0.547 20 0 FCADLP O=C(N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001085047812 841998573 /nfs/dbraw/zinc/99/85/73/841998573.db2.gz OINOJAJCTWOKCV-SJORKVTESA-N 2 2 351.491 0.547 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001085152734 842029105 /nfs/dbraw/zinc/02/91/05/842029105.db2.gz PENLHTCHMVTMRG-MCIONIFRSA-N 2 2 351.451 0.827 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001085152734 842029118 /nfs/dbraw/zinc/02/91/18/842029118.db2.gz PENLHTCHMVTMRG-MCIONIFRSA-N 2 2 351.451 0.827 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1)C(N)=O ZINC001085430843 842103661 /nfs/dbraw/zinc/10/36/61/842103661.db2.gz DYKBMSNLLZFHFO-NWANDNLSSA-N 2 2 364.515 0.997 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1)C(N)=O ZINC001085430843 842103666 /nfs/dbraw/zinc/10/36/66/842103666.db2.gz DYKBMSNLLZFHFO-NWANDNLSSA-N 2 2 364.515 0.997 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC001086090679 842119718 /nfs/dbraw/zinc/11/97/18/842119718.db2.gz MEGYOTKMNZNPMB-YIYPIFLZSA-N 2 2 366.535 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC001086090679 842119720 /nfs/dbraw/zinc/11/97/20/842119720.db2.gz MEGYOTKMNZNPMB-YIYPIFLZSA-N 2 2 366.535 0.929 20 0 FCADLP Cc1noc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086398990 842130524 /nfs/dbraw/zinc/13/05/24/842130524.db2.gz JFBILXBZIVUSDX-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1noc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086398990 842130537 /nfs/dbraw/zinc/13/05/37/842130537.db2.gz JFBILXBZIVUSDX-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086664972 842145813 /nfs/dbraw/zinc/14/58/13/842145813.db2.gz KVDQQOALBZMKBL-LZWOXQAQSA-N 2 2 350.467 0.003 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086664972 842145816 /nfs/dbraw/zinc/14/58/16/842145816.db2.gz KVDQQOALBZMKBL-LZWOXQAQSA-N 2 2 350.467 0.003 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086665028 842146468 /nfs/dbraw/zinc/14/64/68/842146468.db2.gz NTDRSZMKZMXIQA-BFHYXJOUSA-N 2 2 351.451 0.337 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086665028 842146473 /nfs/dbraw/zinc/14/64/73/842146473.db2.gz NTDRSZMKZMXIQA-BFHYXJOUSA-N 2 2 351.451 0.337 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)o1 ZINC001086665934 842147437 /nfs/dbraw/zinc/14/74/37/842147437.db2.gz UMBGKSPLSIQALX-ZMSDIMECSA-N 2 2 350.463 0.997 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)o1 ZINC001086665934 842147442 /nfs/dbraw/zinc/14/74/42/842147442.db2.gz UMBGKSPLSIQALX-ZMSDIMECSA-N 2 2 350.463 0.997 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCCCO1 ZINC001087088114 842280592 /nfs/dbraw/zinc/28/05/92/842280592.db2.gz KJLPFRTXXJPINJ-DJIMGWMZSA-N 2 2 350.463 0.974 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087096797 842286595 /nfs/dbraw/zinc/28/65/95/842286595.db2.gz DWJGZDBOECNFOW-ZMSDIMECSA-N 2 2 350.463 0.452 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087103852 842292716 /nfs/dbraw/zinc/29/27/16/842292716.db2.gz DYBLGLYVXZHELL-CHWSQXEVSA-N 2 2 350.448 0.388 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001087103692 842293018 /nfs/dbraw/zinc/29/30/18/842293018.db2.gz UUKAXHSLTJYVEJ-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001087231162 842321595 /nfs/dbraw/zinc/32/15/95/842321595.db2.gz HMFVFSZLZRJRKP-ILXRZTDVSA-N 2 2 368.503 0.604 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001087847777 842451188 /nfs/dbraw/zinc/45/11/88/842451188.db2.gz QPHPPYZDBKRTJY-HRCADAONSA-N 2 2 368.503 0.677 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001087847777 842451193 /nfs/dbraw/zinc/45/11/93/842451193.db2.gz QPHPPYZDBKRTJY-HRCADAONSA-N 2 2 368.503 0.677 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088120903 842535230 /nfs/dbraw/zinc/53/52/30/842535230.db2.gz FCBIMVIXMADJTQ-ZNMIVQPWSA-N 2 2 366.487 0.167 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088120903 842535232 /nfs/dbraw/zinc/53/52/32/842535232.db2.gz FCBIMVIXMADJTQ-ZNMIVQPWSA-N 2 2 366.487 0.167 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C)o1 ZINC001088505954 842591694 /nfs/dbraw/zinc/59/16/94/842591694.db2.gz BJCHEIDNOJCRQF-IJEWVQPXSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C)o1 ZINC001088505954 842591703 /nfs/dbraw/zinc/59/17/03/842591703.db2.gz BJCHEIDNOJCRQF-IJEWVQPXSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)o1 ZINC001088505954 842591714 /nfs/dbraw/zinc/59/17/14/842591714.db2.gz BJCHEIDNOJCRQF-IJEWVQPXSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)o1 ZINC001088505954 842591724 /nfs/dbraw/zinc/59/17/24/842591724.db2.gz BJCHEIDNOJCRQF-IJEWVQPXSA-N 2 2 350.463 0.955 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506447 842593395 /nfs/dbraw/zinc/59/33/95/842593395.db2.gz VCBSOLPJTKOXLI-ILXRZTDVSA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506447 842593397 /nfs/dbraw/zinc/59/33/97/842593397.db2.gz VCBSOLPJTKOXLI-ILXRZTDVSA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506447 842593403 /nfs/dbraw/zinc/59/34/03/842593403.db2.gz VCBSOLPJTKOXLI-ILXRZTDVSA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506447 842593408 /nfs/dbraw/zinc/59/34/08/842593408.db2.gz VCBSOLPJTKOXLI-ILXRZTDVSA-N 2 2 368.503 0.128 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088666881 842646064 /nfs/dbraw/zinc/64/60/64/842646064.db2.gz SZLHANZKSLNZGX-ILXRZTDVSA-N 2 2 350.463 0.199 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088666881 842646067 /nfs/dbraw/zinc/64/60/67/842646067.db2.gz SZLHANZKSLNZGX-ILXRZTDVSA-N 2 2 350.463 0.199 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088666881 842646074 /nfs/dbraw/zinc/64/60/74/842646074.db2.gz SZLHANZKSLNZGX-ILXRZTDVSA-N 2 2 350.463 0.199 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCN1C(=O)CCC1=O ZINC001088666881 842646079 /nfs/dbraw/zinc/64/60/79/842646079.db2.gz SZLHANZKSLNZGX-ILXRZTDVSA-N 2 2 350.463 0.199 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091096912 842960409 /nfs/dbraw/zinc/96/04/09/842960409.db2.gz FRGCRAYFFRIFQH-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091096912 842960419 /nfs/dbraw/zinc/96/04/19/842960419.db2.gz FRGCRAYFFRIFQH-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCO)C[C@@]2(C)C1 ZINC001091881311 843118948 /nfs/dbraw/zinc/11/89/48/843118948.db2.gz AKVOJCWDHPDRNR-AOIWGVFYSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCO)C[C@@]2(C)C1 ZINC001091881311 843118951 /nfs/dbraw/zinc/11/89/51/843118951.db2.gz AKVOJCWDHPDRNR-AOIWGVFYSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001091881311 843118955 /nfs/dbraw/zinc/11/89/55/843118955.db2.gz AKVOJCWDHPDRNR-AOIWGVFYSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001091881311 843118958 /nfs/dbraw/zinc/11/89/58/843118958.db2.gz AKVOJCWDHPDRNR-AOIWGVFYSA-N 2 2 353.507 0.650 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001091946668 843126803 /nfs/dbraw/zinc/12/68/03/843126803.db2.gz HBJCHYWDNZKXEP-SUMDDJOVSA-N 2 2 351.491 0.402 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091946668 843126808 /nfs/dbraw/zinc/12/68/08/843126808.db2.gz HBJCHYWDNZKXEP-SUMDDJOVSA-N 2 2 351.491 0.402 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091946668 843126812 /nfs/dbraw/zinc/12/68/12/843126812.db2.gz HBJCHYWDNZKXEP-SUMDDJOVSA-N 2 2 351.491 0.402 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091946668 843126819 /nfs/dbraw/zinc/12/68/19/843126819.db2.gz HBJCHYWDNZKXEP-SUMDDJOVSA-N 2 2 351.491 0.402 20 0 FCADLP COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291495 843180492 /nfs/dbraw/zinc/18/04/92/843180492.db2.gz DCWWZDBXDDXRHY-AOIWGVFYSA-N 2 2 351.491 0.524 20 0 FCADLP COCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092291495 843180497 /nfs/dbraw/zinc/18/04/97/843180497.db2.gz DCWWZDBXDDXRHY-AOIWGVFYSA-N 2 2 351.491 0.524 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092503701 843223202 /nfs/dbraw/zinc/22/32/02/843223202.db2.gz CHEZQRBPXMLCOT-MCIONIFRSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092503701 843223206 /nfs/dbraw/zinc/22/32/06/843223206.db2.gz CHEZQRBPXMLCOT-MCIONIFRSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092503701 843223218 /nfs/dbraw/zinc/22/32/18/843223218.db2.gz CHEZQRBPXMLCOT-MCIONIFRSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092503701 843223226 /nfs/dbraw/zinc/22/32/26/843223226.db2.gz CHEZQRBPXMLCOT-MCIONIFRSA-N 2 2 350.467 0.414 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523975 843230019 /nfs/dbraw/zinc/23/00/19/843230019.db2.gz PXIQWLQZFWDXKB-MRVWCRGKSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523975 843230030 /nfs/dbraw/zinc/23/00/30/843230030.db2.gz PXIQWLQZFWDXKB-MRVWCRGKSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523975 843230041 /nfs/dbraw/zinc/23/00/41/843230041.db2.gz PXIQWLQZFWDXKB-MRVWCRGKSA-N 2 2 353.492 0.361 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523975 843230050 /nfs/dbraw/zinc/23/00/50/843230050.db2.gz PXIQWLQZFWDXKB-MRVWCRGKSA-N 2 2 353.492 0.361 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093471004 843440167 /nfs/dbraw/zinc/44/01/67/843440167.db2.gz BMKGCIIYASNOEE-JOCBIADPSA-N 2 2 352.454 0.898 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c(C)o1 ZINC001093691442 843456761 /nfs/dbraw/zinc/45/67/61/843456761.db2.gz WFEBAZNANPNTDV-SRCQZFHVSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c(C)o1 ZINC001093691442 843456773 /nfs/dbraw/zinc/45/67/73/843456773.db2.gz WFEBAZNANPNTDV-SRCQZFHVSA-N 2 2 350.463 0.806 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093742537 843462443 /nfs/dbraw/zinc/46/24/43/843462443.db2.gz AVSLBZJDNGHPPM-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001093857513 843479746 /nfs/dbraw/zinc/47/97/46/843479746.db2.gz JCARUVOPBFTNJV-QHSBEEBCSA-N 2 2 350.467 0.016 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)[nH]1 ZINC001093857513 843479751 /nfs/dbraw/zinc/47/97/51/843479751.db2.gz JCARUVOPBFTNJV-QHSBEEBCSA-N 2 2 350.467 0.016 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001094132549 843519484 /nfs/dbraw/zinc/51/94/84/843519484.db2.gz KMVLVUHQOOUHFH-UKRRQHHQSA-N 2 2 368.503 0.461 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1 ZINC001094224603 843532893 /nfs/dbraw/zinc/53/28/93/843532893.db2.gz TUQOARVWMCCCSK-RBSFLKMASA-N 2 2 367.519 0.691 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOC2CCC2)C3)C1 ZINC001098773855 843935136 /nfs/dbraw/zinc/93/51/36/843935136.db2.gz QJAADEPZGIZEOA-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOC2CCC2)C3)C1 ZINC001098773855 843935141 /nfs/dbraw/zinc/93/51/41/843935141.db2.gz QJAADEPZGIZEOA-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOC2CCC2)C3)C1 ZINC001098773855 843935144 /nfs/dbraw/zinc/93/51/44/843935144.db2.gz QJAADEPZGIZEOA-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOC2CCC2)C3)C1 ZINC001098773855 843935148 /nfs/dbraw/zinc/93/51/48/843935148.db2.gz QJAADEPZGIZEOA-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOC2CCC2)C3)C1 ZINC001098773858 843935172 /nfs/dbraw/zinc/93/51/72/843935172.db2.gz QJAADEPZGIZEOA-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOC2CCC2)C3)C1 ZINC001098773858 843935175 /nfs/dbraw/zinc/93/51/75/843935175.db2.gz QJAADEPZGIZEOA-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOC2CCC2)C3)C1 ZINC001098773858 843935178 /nfs/dbraw/zinc/93/51/78/843935178.db2.gz QJAADEPZGIZEOA-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOC2CCC2)C3)C1 ZINC001098773858 843935180 /nfs/dbraw/zinc/93/51/80/843935180.db2.gz QJAADEPZGIZEOA-WDYCEAGBSA-N 2 2 351.491 0.857 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001099245013 843987330 /nfs/dbraw/zinc/98/73/30/843987330.db2.gz UOYRDGXXNMHFAD-OUAUKWLOSA-N 2 2 359.352 0.210 20 0 FCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001103360712 844742865 /nfs/dbraw/zinc/74/28/65/844742865.db2.gz QYURLGOGOZBGHY-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001103360712 844742867 /nfs/dbraw/zinc/74/28/67/844742867.db2.gz QYURLGOGOZBGHY-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001103360712 844742868 /nfs/dbraw/zinc/74/28/68/844742868.db2.gz QYURLGOGOZBGHY-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001103360712 844742871 /nfs/dbraw/zinc/74/28/71/844742871.db2.gz QYURLGOGOZBGHY-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740408 844813398 /nfs/dbraw/zinc/81/33/98/844813398.db2.gz GRMYIQSBCCFEER-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740408 844813405 /nfs/dbraw/zinc/81/34/05/844813405.db2.gz GRMYIQSBCCFEER-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740408 844813411 /nfs/dbraw/zinc/81/34/11/844813411.db2.gz GRMYIQSBCCFEER-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]2C)C1 ZINC001103740408 844813417 /nfs/dbraw/zinc/81/34/17/844813417.db2.gz GRMYIQSBCCFEER-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740565 844813609 /nfs/dbraw/zinc/81/36/09/844813609.db2.gz MKBOMZZYSSVKOF-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740565 844813612 /nfs/dbraw/zinc/81/36/12/844813612.db2.gz MKBOMZZYSSVKOF-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740565 844813615 /nfs/dbraw/zinc/81/36/15/844813615.db2.gz MKBOMZZYSSVKOF-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001103740565 844813619 /nfs/dbraw/zinc/81/36/19/844813619.db2.gz MKBOMZZYSSVKOF-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276611844 861500782 /nfs/dbraw/zinc/50/07/82/861500782.db2.gz YBBBKOLNJIIIHN-SFHVURJKSA-N 2 2 352.479 0.258 20 0 FCADLP CN(C)C(=O)CCN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276611844 861500789 /nfs/dbraw/zinc/50/07/89/861500789.db2.gz YBBBKOLNJIIIHN-SFHVURJKSA-N 2 2 352.479 0.258 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104034220 844857296 /nfs/dbraw/zinc/85/72/96/844857296.db2.gz YJVZLGSOPAFLIC-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104034220 844857298 /nfs/dbraw/zinc/85/72/98/844857298.db2.gz YJVZLGSOPAFLIC-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1)n1cc[nH+]c1 ZINC001104738029 844937250 /nfs/dbraw/zinc/93/72/50/844937250.db2.gz BXNORLSAMLQDFO-OWCLPIDISA-N 2 2 370.519 0.953 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]CCS(C)(=O)=O ZINC001104967266 844963469 /nfs/dbraw/zinc/96/34/69/844963469.db2.gz OYYGYKBIDUFPJW-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001105101972 844981107 /nfs/dbraw/zinc/98/11/07/844981107.db2.gz SAAZCDKYHPNKFP-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106308959 845151733 /nfs/dbraw/zinc/15/17/33/845151733.db2.gz JGUDKKUEBOCURR-FVQBIDKESA-N 2 2 351.447 0.324 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106309077 845152207 /nfs/dbraw/zinc/15/22/07/845152207.db2.gz ONUDHHIQHFXXCK-GDBMZVCRSA-N 2 2 351.447 0.326 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)Nc1nccs1 ZINC001106704900 845228858 /nfs/dbraw/zinc/22/88/58/845228858.db2.gz HYVGBJWUSFTBAF-VXGBXAGGSA-N 2 2 362.459 0.732 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705045 845229352 /nfs/dbraw/zinc/22/93/52/845229352.db2.gz OUHHZNDEEFXLRA-ZIAGYGMSSA-N 2 2 350.467 0.344 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922470 845286052 /nfs/dbraw/zinc/28/60/52/845286052.db2.gz DYFNIRNWLSFOBB-UKRRQHHQSA-N 2 2 370.519 0.770 20 0 FCADLP CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172716 845334528 /nfs/dbraw/zinc/33/45/28/845334528.db2.gz INPHMYGLFGUVFR-CZUORRHYSA-N 2 2 350.467 0.128 20 0 FCADLP CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172716 845334534 /nfs/dbraw/zinc/33/45/34/845334534.db2.gz INPHMYGLFGUVFR-CZUORRHYSA-N 2 2 350.467 0.128 20 0 FCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001276728637 861559978 /nfs/dbraw/zinc/55/99/78/861559978.db2.gz VYLHHVJOVSUELQ-HNNXBMFYSA-N 2 2 355.479 0.441 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432123 845371108 /nfs/dbraw/zinc/37/11/08/845371108.db2.gz ATHBTZHHLIHEKB-JFIYKMOQSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432123 845371111 /nfs/dbraw/zinc/37/11/11/845371111.db2.gz ATHBTZHHLIHEKB-JFIYKMOQSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432123 845371121 /nfs/dbraw/zinc/37/11/21/845371121.db2.gz ATHBTZHHLIHEKB-JFIYKMOQSA-N 2 2 350.463 0.710 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432123 845371127 /nfs/dbraw/zinc/37/11/27/845371127.db2.gz ATHBTZHHLIHEKB-JFIYKMOQSA-N 2 2 350.463 0.710 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107560705 845397235 /nfs/dbraw/zinc/39/72/35/845397235.db2.gz VXJVUHOFDCSGEU-SJLPKXTDSA-N 2 2 350.463 0.976 20 0 FCADLP COCCOCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107560705 845397240 /nfs/dbraw/zinc/39/72/40/845397240.db2.gz VXJVUHOFDCSGEU-SJLPKXTDSA-N 2 2 350.463 0.976 20 0 FCADLP CC(C)OCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024340 845423006 /nfs/dbraw/zinc/42/30/06/845423006.db2.gz JODVWGROTXWEPK-NUJGCVRESA-N 2 2 357.495 0.338 20 0 FCADLP CC(C)OCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024340 845423012 /nfs/dbraw/zinc/42/30/12/845423012.db2.gz JODVWGROTXWEPK-NUJGCVRESA-N 2 2 357.495 0.338 20 0 FCADLP CC(C)OCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024340 845423017 /nfs/dbraw/zinc/42/30/17/845423017.db2.gz JODVWGROTXWEPK-NUJGCVRESA-N 2 2 357.495 0.338 20 0 FCADLP CC(C)OCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024340 845423021 /nfs/dbraw/zinc/42/30/21/845423021.db2.gz JODVWGROTXWEPK-NUJGCVRESA-N 2 2 357.495 0.338 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068447 845561312 /nfs/dbraw/zinc/56/13/12/845561312.db2.gz WRAFZAXVVQOWAP-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068447 845561314 /nfs/dbraw/zinc/56/13/14/845561314.db2.gz WRAFZAXVVQOWAP-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001109068447 845561319 /nfs/dbraw/zinc/56/13/19/845561319.db2.gz WRAFZAXVVQOWAP-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109068447 845561325 /nfs/dbraw/zinc/56/13/25/845561325.db2.gz WRAFZAXVVQOWAP-UGUYLWEFSA-N 2 2 372.535 0.084 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758941 861585683 /nfs/dbraw/zinc/58/56/83/861585683.db2.gz XTXXMSDIBUVGMR-KBXCAEBGSA-N 2 2 350.463 0.186 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758941 861585685 /nfs/dbraw/zinc/58/56/85/861585685.db2.gz XTXXMSDIBUVGMR-KBXCAEBGSA-N 2 2 350.463 0.186 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293817 845616434 /nfs/dbraw/zinc/61/64/34/845616434.db2.gz HUBFWAQGUZSOBM-QZWWFDLISA-N 2 2 369.531 0.484 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293817 845616438 /nfs/dbraw/zinc/61/64/38/845616438.db2.gz HUBFWAQGUZSOBM-QZWWFDLISA-N 2 2 369.531 0.484 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109646256 845704358 /nfs/dbraw/zinc/70/43/58/845704358.db2.gz OZAXWQLYHYCJGI-PMPSAXMXSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109646256 845704363 /nfs/dbraw/zinc/70/43/63/845704363.db2.gz OZAXWQLYHYCJGI-PMPSAXMXSA-N 2 2 351.447 0.685 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717494 845719121 /nfs/dbraw/zinc/71/91/21/845719121.db2.gz SBSYTRDGNVWUIW-FZKCQIBNSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717494 845719125 /nfs/dbraw/zinc/71/91/25/845719125.db2.gz SBSYTRDGNVWUIW-FZKCQIBNSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717494 845719127 /nfs/dbraw/zinc/71/91/27/845719127.db2.gz SBSYTRDGNVWUIW-FZKCQIBNSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109717494 845719131 /nfs/dbraw/zinc/71/91/31/845719131.db2.gz SBSYTRDGNVWUIW-FZKCQIBNSA-N 2 2 372.535 0.132 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109718367 845719414 /nfs/dbraw/zinc/71/94/14/845719414.db2.gz DYVIUPXKAVAQKZ-WCVJEAGWSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001109718367 845719422 /nfs/dbraw/zinc/71/94/22/845719422.db2.gz DYVIUPXKAVAQKZ-WCVJEAGWSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109718367 845719430 /nfs/dbraw/zinc/71/94/30/845719430.db2.gz DYVIUPXKAVAQKZ-WCVJEAGWSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001109718367 845719442 /nfs/dbraw/zinc/71/94/42/845719442.db2.gz DYVIUPXKAVAQKZ-WCVJEAGWSA-N 2 2 350.507 0.964 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101345 845790245 /nfs/dbraw/zinc/79/02/45/845790245.db2.gz LLCMVQQGZRBSMC-WCVJEAGWSA-N 2 2 350.507 0.822 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101345 845790249 /nfs/dbraw/zinc/79/02/49/845790249.db2.gz LLCMVQQGZRBSMC-WCVJEAGWSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101345 845790255 /nfs/dbraw/zinc/79/02/55/845790255.db2.gz LLCMVQQGZRBSMC-WCVJEAGWSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001110101345 845790261 /nfs/dbraw/zinc/79/02/61/845790261.db2.gz LLCMVQQGZRBSMC-WCVJEAGWSA-N 2 2 350.507 0.822 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794587 861611205 /nfs/dbraw/zinc/61/12/05/861611205.db2.gz NTBLUAYUZISEMT-LXTVHRRPSA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276794587 861611210 /nfs/dbraw/zinc/61/12/10/861611210.db2.gz NTBLUAYUZISEMT-LXTVHRRPSA-N 2 2 354.495 0.065 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673607 845946542 /nfs/dbraw/zinc/94/65/42/845946542.db2.gz JGEPVWPLYGRGIS-DZUCGIPZSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673607 845946547 /nfs/dbraw/zinc/94/65/47/845946547.db2.gz JGEPVWPLYGRGIS-DZUCGIPZSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673607 845946554 /nfs/dbraw/zinc/94/65/54/845946554.db2.gz JGEPVWPLYGRGIS-DZUCGIPZSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673607 845946564 /nfs/dbraw/zinc/94/65/64/845946564.db2.gz JGEPVWPLYGRGIS-DZUCGIPZSA-N 2 2 369.531 0.627 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673578 845946880 /nfs/dbraw/zinc/94/68/80/845946880.db2.gz HLNNLKXDCBSUBU-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673578 845946885 /nfs/dbraw/zinc/94/68/85/845946885.db2.gz HLNNLKXDCBSUBU-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673578 845946890 /nfs/dbraw/zinc/94/68/90/845946890.db2.gz HLNNLKXDCBSUBU-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673578 845946893 /nfs/dbraw/zinc/94/68/93/845946893.db2.gz HLNNLKXDCBSUBU-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001110718987 845955340 /nfs/dbraw/zinc/95/53/40/845955340.db2.gz JCYZPUYAVMVEJY-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001110718987 845955347 /nfs/dbraw/zinc/95/53/47/845955347.db2.gz JCYZPUYAVMVEJY-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2)S(C)(=O)=O ZINC001110718987 845955351 /nfs/dbraw/zinc/95/53/51/845955351.db2.gz JCYZPUYAVMVEJY-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2)S(C)(=O)=O ZINC001110718987 845955360 /nfs/dbraw/zinc/95/53/60/845955360.db2.gz JCYZPUYAVMVEJY-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847559 845981179 /nfs/dbraw/zinc/98/11/79/845981179.db2.gz WMYFNFVXXGJCOE-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847559 845981183 /nfs/dbraw/zinc/98/11/83/845981183.db2.gz WMYFNFVXXGJCOE-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001110956599 846002572 /nfs/dbraw/zinc/00/25/72/846002572.db2.gz PVHGYRQCOVMGBH-JJXSEGSLSA-N 2 2 371.547 0.730 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)CS(C)(=O)=O ZINC001110956599 846002574 /nfs/dbraw/zinc/00/25/74/846002574.db2.gz PVHGYRQCOVMGBH-JJXSEGSLSA-N 2 2 371.547 0.730 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O)[NH+](CC)CC ZINC001111018335 846015798 /nfs/dbraw/zinc/01/57/98/846015798.db2.gz REHPNWYDLLTUFI-WCVJEAGWSA-N 2 2 374.551 0.378 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O)[NH+](CC)CC ZINC001111018335 846015801 /nfs/dbraw/zinc/01/58/01/846015801.db2.gz REHPNWYDLLTUFI-WCVJEAGWSA-N 2 2 374.551 0.378 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021004 846016570 /nfs/dbraw/zinc/01/65/70/846016570.db2.gz OFERMOSXWSBOTK-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021004 846016578 /nfs/dbraw/zinc/01/65/78/846016578.db2.gz OFERMOSXWSBOTK-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021004 846016581 /nfs/dbraw/zinc/01/65/81/846016581.db2.gz OFERMOSXWSBOTK-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111021004 846016589 /nfs/dbraw/zinc/01/65/89/846016589.db2.gz OFERMOSXWSBOTK-VQHPVUNQSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1)[NH+](C)C ZINC001111036321 846019940 /nfs/dbraw/zinc/01/99/40/846019940.db2.gz VYUMSGKWODDSQC-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1)[NH+](C)C ZINC001111036321 846019954 /nfs/dbraw/zinc/01/99/54/846019954.db2.gz VYUMSGKWODDSQC-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001111169215 846054017 /nfs/dbraw/zinc/05/40/17/846054017.db2.gz HTXJDHGIEJMGCR-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001111169215 846054023 /nfs/dbraw/zinc/05/40/23/846054023.db2.gz HTXJDHGIEJMGCR-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276826001 861636121 /nfs/dbraw/zinc/63/61/21/861636121.db2.gz AFPWRMXVOKZSEW-SJLPKXTDSA-N 2 2 350.463 0.451 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276826001 861636127 /nfs/dbraw/zinc/63/61/27/861636127.db2.gz AFPWRMXVOKZSEW-SJLPKXTDSA-N 2 2 350.463 0.451 20 0 FCADLP CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277324 846076420 /nfs/dbraw/zinc/07/64/20/846076420.db2.gz LZMCIDRVVDVPBJ-BMFZPTHFSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277324 846076428 /nfs/dbraw/zinc/07/64/28/846076428.db2.gz LZMCIDRVVDVPBJ-BMFZPTHFSA-N 2 2 350.467 0.098 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001111312814 846084678 /nfs/dbraw/zinc/08/46/78/846084678.db2.gz YZYWFABMSLNGMQ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001111312814 846084682 /nfs/dbraw/zinc/08/46/82/846084682.db2.gz YZYWFABMSLNGMQ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111312814 846084686 /nfs/dbraw/zinc/08/46/86/846084686.db2.gz YZYWFABMSLNGMQ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111312814 846084692 /nfs/dbraw/zinc/08/46/92/846084692.db2.gz YZYWFABMSLNGMQ-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001111463315 846117502 /nfs/dbraw/zinc/11/75/02/846117502.db2.gz JFQYTDDZRQCKOC-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001111463315 846117504 /nfs/dbraw/zinc/11/75/04/846117504.db2.gz JFQYTDDZRQCKOC-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001111463315 846117507 /nfs/dbraw/zinc/11/75/07/846117507.db2.gz JFQYTDDZRQCKOC-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001111463315 846117511 /nfs/dbraw/zinc/11/75/11/846117511.db2.gz JFQYTDDZRQCKOC-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122580 846400292 /nfs/dbraw/zinc/40/02/92/846400292.db2.gz VUFZLWMLKHUTIX-JHJVBQTASA-N 2 2 364.412 0.538 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122580 846400298 /nfs/dbraw/zinc/40/02/98/846400298.db2.gz VUFZLWMLKHUTIX-JHJVBQTASA-N 2 2 364.412 0.538 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112205790 846461277 /nfs/dbraw/zinc/46/12/77/846461277.db2.gz ASIRRVFYNXFOSU-MVWJERBFSA-N 2 2 361.368 0.305 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493269 846508843 /nfs/dbraw/zinc/50/88/43/846508843.db2.gz SEXBHBPNJQZWFR-LNLFQRSKSA-N 2 2 353.507 0.698 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112493269 846508847 /nfs/dbraw/zinc/50/88/47/846508847.db2.gz SEXBHBPNJQZWFR-LNLFQRSKSA-N 2 2 353.507 0.698 20 0 FCADLP CS(=O)(=O)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112500978 846509860 /nfs/dbraw/zinc/50/98/60/846509860.db2.gz BAUHVOLXILIDFW-RDJZCZTQSA-N 2 2 368.503 0.536 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC001116896485 846798995 /nfs/dbraw/zinc/79/89/95/846798995.db2.gz QANIGWORSNPECA-UHFFFAOYSA-N 2 2 361.387 0.058 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CCSCC3)C2)CC1 ZINC001117157266 846915886 /nfs/dbraw/zinc/91/58/86/846915886.db2.gz JFGZMSPXEAXCPX-AWEZNQCLSA-N 2 2 354.520 0.283 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CCSCC3)C2)CC1 ZINC001117157266 846915891 /nfs/dbraw/zinc/91/58/91/846915891.db2.gz JFGZMSPXEAXCPX-AWEZNQCLSA-N 2 2 354.520 0.283 20 0 FCADLP C[C@@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367959 846984361 /nfs/dbraw/zinc/98/43/61/846984361.db2.gz AWENLOBPONSQBA-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367959 846984366 /nfs/dbraw/zinc/98/43/66/846984366.db2.gz AWENLOBPONSQBA-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858682 847187043 /nfs/dbraw/zinc/18/70/43/847187043.db2.gz PPVWYFMJBAFIPG-BFYDXBDKSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC001117858682 847187049 /nfs/dbraw/zinc/18/70/49/847187049.db2.gz PPVWYFMJBAFIPG-BFYDXBDKSA-N 2 2 350.507 0.728 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC001118311354 847376392 /nfs/dbraw/zinc/37/63/92/847376392.db2.gz AEPQCJRYNYQYGN-GJZGRUSLSA-N 2 2 354.520 0.270 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC001118311354 847376402 /nfs/dbraw/zinc/37/64/02/847376402.db2.gz AEPQCJRYNYQYGN-GJZGRUSLSA-N 2 2 354.520 0.270 20 0 FCADLP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020419 848059086 /nfs/dbraw/zinc/05/90/86/848059086.db2.gz RZQCJRDDWJUBPQ-WBVHZDCISA-N 2 2 356.536 0.835 20 0 FCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020419 848059089 /nfs/dbraw/zinc/05/90/89/848059089.db2.gz RZQCJRDDWJUBPQ-WBVHZDCISA-N 2 2 356.536 0.835 20 0 FCADLP Cn1cc([C@@]2(CNC(=O)NCC[NH+]3CCC([NH3+])CC3)CCCO2)cn1 ZINC001120574336 848246291 /nfs/dbraw/zinc/24/62/91/848246291.db2.gz SKZMFEDHJPGUJK-KRWDZBQOSA-N 2 2 350.467 0.148 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[NH+]2CCC(CO)CC2)C[C@H](C)O1 ZINC001120592101 848250576 /nfs/dbraw/zinc/25/05/76/848250576.db2.gz BNPACBFJBBWLMS-JZXOWHBKSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[NH+]2CCC(CO)CC2)C[C@H](C)O1 ZINC001120592101 848250583 /nfs/dbraw/zinc/25/05/83/848250583.db2.gz BNPACBFJBBWLMS-JZXOWHBKSA-N 2 2 353.507 0.791 20 0 FCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)o1 ZINC001127571682 848726859 /nfs/dbraw/zinc/72/68/59/848726859.db2.gz XHRUDFMDIXUJOG-WBVHZDCISA-N 2 2 350.463 0.936 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CCC1 ZINC001129048984 848799808 /nfs/dbraw/zinc/79/98/08/848799808.db2.gz MXGBTFHEZJIIIK-ZVSVUTOMSA-N 2 2 352.870 0.856 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CCC1 ZINC001129048984 848799813 /nfs/dbraw/zinc/79/98/13/848799813.db2.gz MXGBTFHEZJIIIK-ZVSVUTOMSA-N 2 2 352.870 0.856 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129233431 848820646 /nfs/dbraw/zinc/82/06/46/848820646.db2.gz OOPQHTSXGVTICV-JZDAOAOOSA-N 2 2 354.886 0.958 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129233431 848820653 /nfs/dbraw/zinc/82/06/53/848820653.db2.gz OOPQHTSXGVTICV-JZDAOAOOSA-N 2 2 354.886 0.958 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001130079656 848941644 /nfs/dbraw/zinc/94/16/44/848941644.db2.gz UVDJYRWEBKSEJI-KGLIPLIRSA-N 2 2 363.491 0.618 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001130079656 848941650 /nfs/dbraw/zinc/94/16/50/848941650.db2.gz UVDJYRWEBKSEJI-KGLIPLIRSA-N 2 2 363.491 0.618 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nc(C(C)(C)C)no1 ZINC001130184115 848961737 /nfs/dbraw/zinc/96/17/37/848961737.db2.gz AWAAGVHGVXPXOG-JHJVBQTASA-N 2 2 353.467 0.853 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nc(C(C)(C)C)no1 ZINC001130184115 848961740 /nfs/dbraw/zinc/96/17/40/848961740.db2.gz AWAAGVHGVXPXOG-JHJVBQTASA-N 2 2 353.467 0.853 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130215716 848977691 /nfs/dbraw/zinc/97/76/91/848977691.db2.gz CSMIBDSSRYOODG-YDHLFZDLSA-N 2 2 352.483 0.489 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1)[NH+](C)C ZINC001130809223 849047259 /nfs/dbraw/zinc/04/72/59/849047259.db2.gz MUKFTMGAPQOYLU-MELADBBJSA-N 2 2 352.483 0.979 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]C/C=C/Cl ZINC001130945826 849062640 /nfs/dbraw/zinc/06/26/40/849062640.db2.gz CWEFIROUZKKQDO-RBUHOSLGSA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]C/C=C/Cl ZINC001130945826 849062648 /nfs/dbraw/zinc/06/26/48/849062648.db2.gz CWEFIROUZKKQDO-RBUHOSLGSA-N 2 2 367.881 0.387 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131592984 849128455 /nfs/dbraw/zinc/12/84/55/849128455.db2.gz GGZFERMSGSEQOW-AEFFLSMTSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Nc1nccs1 ZINC001134049899 849171257 /nfs/dbraw/zinc/17/12/57/849171257.db2.gz SZLDICZMJGFJMU-IJLUTSLNSA-N 2 2 362.459 0.713 20 0 FCADLP CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136737242 849239000 /nfs/dbraw/zinc/23/90/00/849239000.db2.gz BFSCDLRQBUJTOS-HZPDHXFCSA-N 2 2 374.551 0.187 20 0 FCADLP CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136737242 849239009 /nfs/dbraw/zinc/23/90/09/849239009.db2.gz BFSCDLRQBUJTOS-HZPDHXFCSA-N 2 2 374.551 0.187 20 0 FCADLP COc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)ccc1OCC(N)=O ZINC001138591116 849314710 /nfs/dbraw/zinc/31/47/10/849314710.db2.gz LWKNHLOBQMEYCT-UHFFFAOYSA-N 2 2 350.463 0.239 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[N@H+](C)C(C)C ZINC001142584238 849452219 /nfs/dbraw/zinc/45/22/19/849452219.db2.gz OSICFRBMYKAQDK-CRAIPNDOSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001142584238 849452225 /nfs/dbraw/zinc/45/22/25/849452225.db2.gz OSICFRBMYKAQDK-CRAIPNDOSA-N 2 2 355.479 0.582 20 0 FCADLP CCNC(=O)c1cc(Cl)nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155391472 849850284 /nfs/dbraw/zinc/85/02/84/849850284.db2.gz OHAVYIMZJDWMMB-GFCCVEGCSA-N 2 2 352.870 0.739 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157927621 850005974 /nfs/dbraw/zinc/00/59/74/850005974.db2.gz YKZHKSQDMQZARO-LOWVWBTDSA-N 2 2 352.332 0.544 20 0 FCADLP COC(OC)c1c(CO)ccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158263054 850030145 /nfs/dbraw/zinc/03/01/45/850030145.db2.gz XMICIFJZKRFLNM-CQSZACIVSA-N 2 2 350.463 0.867 20 0 FCADLP COC(OC)c1c(CO)ccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158263054 850030152 /nfs/dbraw/zinc/03/01/52/850030152.db2.gz XMICIFJZKRFLNM-CQSZACIVSA-N 2 2 350.463 0.867 20 0 FCADLP CCNS(=O)(=O)c1cccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260995 850030938 /nfs/dbraw/zinc/03/09/38/850030938.db2.gz JIZNDZVOZXWTQH-CYBMUJFWSA-N 2 2 353.492 0.382 20 0 FCADLP CCNS(=O)(=O)c1cccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158260995 850030943 /nfs/dbraw/zinc/03/09/43/850030943.db2.gz JIZNDZVOZXWTQH-CYBMUJFWSA-N 2 2 353.492 0.382 20 0 FCADLP CCNS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158266550 850032088 /nfs/dbraw/zinc/03/20/88/850032088.db2.gz CJPCTWUXXXXWIQ-CYBMUJFWSA-N 2 2 353.492 0.382 20 0 FCADLP CCNS(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158266550 850032098 /nfs/dbraw/zinc/03/20/98/850032098.db2.gz CJPCTWUXXXXWIQ-CYBMUJFWSA-N 2 2 353.492 0.382 20 0 FCADLP N[C@@H](C[NH3+])C(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001158293537 850034061 /nfs/dbraw/zinc/03/40/61/850034061.db2.gz XYLQZALSTXYGAN-GXSJLCMTSA-N 2 2 368.235 0.283 20 0 FCADLP CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001158791647 850076996 /nfs/dbraw/zinc/07/69/96/850076996.db2.gz ZATIGFSNUNXKRZ-RYUDHWBXSA-N 2 2 365.503 0.099 20 0 FCADLP CC[C@@H]1N(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CCC[C@]12CCC(=O)N2CCOC ZINC001159275470 850105877 /nfs/dbraw/zinc/10/58/77/850105877.db2.gz FTGCMERIYFICQG-XSWJXKHESA-N 2 2 352.479 0.084 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001159480996 850117870 /nfs/dbraw/zinc/11/78/70/850117870.db2.gz GUWIYWHNOJBYCR-SJLPKXTDSA-N 3 2 350.507 0.274 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001159480996 850117880 /nfs/dbraw/zinc/11/78/80/850117880.db2.gz GUWIYWHNOJBYCR-SJLPKXTDSA-N 3 2 350.507 0.274 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159722221 850131331 /nfs/dbraw/zinc/13/13/31/850131331.db2.gz ISGZJFSWRGLAEH-STQMWFEESA-N 2 2 363.487 0.145 20 0 FCADLP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001160327432 850166175 /nfs/dbraw/zinc/16/61/75/850166175.db2.gz ZGKKOXDESIRLDP-GHMZBOCLSA-N 2 2 363.447 0.408 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160383122 850168603 /nfs/dbraw/zinc/16/86/03/850168603.db2.gz ZFYDJHKQMNSVHZ-AWEZNQCLSA-N 3 2 351.499 0.307 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160383122 850168609 /nfs/dbraw/zinc/16/86/09/850168609.db2.gz ZFYDJHKQMNSVHZ-AWEZNQCLSA-N 3 2 351.499 0.307 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611195 850185918 /nfs/dbraw/zinc/18/59/18/850185918.db2.gz SHAPDEWARBWEPJ-HOTGVXAUSA-N 2 2 362.455 0.365 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160688688 850191734 /nfs/dbraw/zinc/19/17/34/850191734.db2.gz FJKDXSBQBQKFFZ-KBPBESRZSA-N 2 2 366.487 0.530 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC001161138039 850233165 /nfs/dbraw/zinc/23/31/65/850233165.db2.gz LJMRBPNZAYXMFL-SMDDNHRTSA-N 2 2 356.220 0.552 20 0 FCADLP O=C([C@@H]1COCC[NH2+]1)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152505 850235075 /nfs/dbraw/zinc/23/50/75/850235075.db2.gz LYFQLURIVFRLLU-NSHDSACASA-N 2 2 359.352 0.569 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277810888 862110337 /nfs/dbraw/zinc/11/03/37/862110337.db2.gz OLQZEDJLIHJVCD-FUHWJXTLSA-N 2 2 350.463 0.595 20 0 FCADLP COC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001277810888 862110347 /nfs/dbraw/zinc/11/03/47/862110347.db2.gz OLQZEDJLIHJVCD-FUHWJXTLSA-N 2 2 350.463 0.595 20 0 FCADLP C[NH+]1CCN(c2ncc(NS(=O)(=O)c3ccc(C[NH3+])cc3)cn2)CC1 ZINC001161752197 850279815 /nfs/dbraw/zinc/27/98/15/850279815.db2.gz PACPRKBOJGWTTM-UHFFFAOYSA-N 2 2 362.459 0.488 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH+](CCO)CC1 ZINC001162492864 850321239 /nfs/dbraw/zinc/32/12/39/850321239.db2.gz OKXIATDQDQIXPV-HUUCEWRRSA-N 2 2 350.463 0.361 20 0 FCADLP CCOCCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163005107 850342177 /nfs/dbraw/zinc/34/21/77/850342177.db2.gz CJWQCEJFCOLCCF-SJORKVTESA-N 2 2 357.495 0.389 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001166961459 850514923 /nfs/dbraw/zinc/51/49/23/850514923.db2.gz PNTLLCNMEFSFAE-GHMZBOCLSA-N 2 2 363.447 0.110 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001166961083 850515507 /nfs/dbraw/zinc/51/55/07/850515507.db2.gz OCBMDKLFGRQPEL-RBSFLKMASA-N 2 2 368.503 0.444 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001166968955 850516747 /nfs/dbraw/zinc/51/67/47/850516747.db2.gz QWJZYBJIJXKPKM-ARFHVFGLSA-N 2 2 350.463 0.815 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 ZINC001168737326 850593215 /nfs/dbraw/zinc/59/32/15/850593215.db2.gz RXIRYMHSGLGYGL-UHFFFAOYSA-N 2 2 365.381 0.947 20 0 FCADLP CS(=O)(=O)N1CC[NH+](CCNc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001169344851 850618178 /nfs/dbraw/zinc/61/81/78/850618178.db2.gz JNAZGCZGYDPBND-UHFFFAOYSA-N 2 2 367.519 0.085 20 0 FCADLP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358068 850683363 /nfs/dbraw/zinc/68/33/63/850683363.db2.gz ADCLCZSIPTUVRA-BFHYXJOUSA-N 2 2 371.507 0.327 20 0 FCADLP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358068 850683365 /nfs/dbraw/zinc/68/33/65/850683365.db2.gz ADCLCZSIPTUVRA-BFHYXJOUSA-N 2 2 371.507 0.327 20 0 FCADLP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358074 850683564 /nfs/dbraw/zinc/68/35/64/850683564.db2.gz ADCLCZSIPTUVRA-MGPQQGTHSA-N 2 2 371.507 0.327 20 0 FCADLP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358074 850683567 /nfs/dbraw/zinc/68/35/67/850683567.db2.gz ADCLCZSIPTUVRA-MGPQQGTHSA-N 2 2 371.507 0.327 20 0 FCADLP CCOCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172421837 850710514 /nfs/dbraw/zinc/71/05/14/850710514.db2.gz QBXUFSVRTVLARG-QEJZJMRPSA-N 2 2 351.451 0.217 20 0 FCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579477 850730030 /nfs/dbraw/zinc/73/00/30/850730030.db2.gz QNWBXRJUKZMIIS-RFBLXINOSA-N 2 2 354.447 0.380 20 0 FCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579477 850730031 /nfs/dbraw/zinc/73/00/31/850730031.db2.gz QNWBXRJUKZMIIS-RFBLXINOSA-N 2 2 354.447 0.380 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579477 850730034 /nfs/dbraw/zinc/73/00/34/850730034.db2.gz QNWBXRJUKZMIIS-RFBLXINOSA-N 2 2 354.447 0.380 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579477 850730035 /nfs/dbraw/zinc/73/00/35/850730035.db2.gz QNWBXRJUKZMIIS-RFBLXINOSA-N 2 2 354.447 0.380 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc(O)c3F)C2)OCC1=O ZINC001278068654 862179196 /nfs/dbraw/zinc/17/91/96/862179196.db2.gz IURNRAYBMCSVAT-SFHVURJKSA-N 2 2 351.422 0.896 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc(O)c3F)C2)OCC1=O ZINC001278068654 862179202 /nfs/dbraw/zinc/17/92/02/862179202.db2.gz IURNRAYBMCSVAT-SFHVURJKSA-N 2 2 351.422 0.896 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=S)NCC[NH+](C)C)C2)C1=O ZINC001278104684 862189705 /nfs/dbraw/zinc/18/97/05/862189705.db2.gz KTJHQXCMMPXJBS-QGZVFWFLSA-N 2 2 364.519 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001180388156 851034478 /nfs/dbraw/zinc/03/44/78/851034478.db2.gz MPXUUBISHUEHNM-GOSISDBHSA-N 2 2 354.495 0.015 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001180388156 851034486 /nfs/dbraw/zinc/03/44/86/851034486.db2.gz MPXUUBISHUEHNM-GOSISDBHSA-N 2 2 354.495 0.015 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181780839 851132295 /nfs/dbraw/zinc/13/22/95/851132295.db2.gz BCFPVHUACWREGE-VFCJXBEMSA-N 2 2 350.463 0.595 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181780839 851132302 /nfs/dbraw/zinc/13/23/02/851132302.db2.gz BCFPVHUACWREGE-VFCJXBEMSA-N 2 2 350.463 0.595 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)NCC[NH2+]CCO)C1 ZINC001182296422 851168170 /nfs/dbraw/zinc/16/81/70/851168170.db2.gz GLNXUEIAIQFYCB-CQSZACIVSA-N 2 2 358.483 0.016 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH2+]CCO)C1 ZINC001182296422 851168174 /nfs/dbraw/zinc/16/81/74/851168174.db2.gz GLNXUEIAIQFYCB-CQSZACIVSA-N 2 2 358.483 0.016 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403588 851246097 /nfs/dbraw/zinc/24/60/97/851246097.db2.gz QONBGUNGAOHFED-RBSFLKMASA-N 2 2 368.503 0.917 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403588 851246102 /nfs/dbraw/zinc/24/61/02/851246102.db2.gz QONBGUNGAOHFED-RBSFLKMASA-N 2 2 368.503 0.917 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188213441 851659160 /nfs/dbraw/zinc/65/91/60/851659160.db2.gz XBDNCECUGBCGBJ-DOTOQJQBSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188213441 851659166 /nfs/dbraw/zinc/65/91/66/851659166.db2.gz XBDNCECUGBCGBJ-DOTOQJQBSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188213441 851659172 /nfs/dbraw/zinc/65/91/72/851659172.db2.gz XBDNCECUGBCGBJ-DOTOQJQBSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188213441 851659181 /nfs/dbraw/zinc/65/91/81/851659181.db2.gz XBDNCECUGBCGBJ-DOTOQJQBSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189470256 851794006 /nfs/dbraw/zinc/79/40/06/851794006.db2.gz DWUOHKCORSGDTM-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001189470256 851794013 /nfs/dbraw/zinc/79/40/13/851794013.db2.gz DWUOHKCORSGDTM-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189898015 851839269 /nfs/dbraw/zinc/83/92/69/851839269.db2.gz AOMHWQMTGWCFDM-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189898015 851839273 /nfs/dbraw/zinc/83/92/73/851839273.db2.gz AOMHWQMTGWCFDM-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189898015 851839284 /nfs/dbraw/zinc/83/92/84/851839284.db2.gz AOMHWQMTGWCFDM-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189898015 851839295 /nfs/dbraw/zinc/83/92/95/851839295.db2.gz AOMHWQMTGWCFDM-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001190597989 851927574 /nfs/dbraw/zinc/92/75/74/851927574.db2.gz CGNXIBSHAHTZPR-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CCCCNC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001190597989 851927580 /nfs/dbraw/zinc/92/75/80/851927580.db2.gz CGNXIBSHAHTZPR-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899371 851979742 /nfs/dbraw/zinc/97/97/42/851979742.db2.gz JEGSMGHZBMWELC-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899371 851979744 /nfs/dbraw/zinc/97/97/44/851979744.db2.gz JEGSMGHZBMWELC-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899371 851979754 /nfs/dbraw/zinc/97/97/54/851979754.db2.gz JEGSMGHZBMWELC-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899371 851979759 /nfs/dbraw/zinc/97/97/59/851979759.db2.gz JEGSMGHZBMWELC-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CCOC(=O)[C@@H](CCSC)NC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001193255953 852398493 /nfs/dbraw/zinc/39/84/93/852398493.db2.gz LTQQIXPZNFYILW-CQSZACIVSA-N 2 2 374.551 0.996 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001193447089 852429258 /nfs/dbraw/zinc/42/92/58/852429258.db2.gz JADWVJCNOQNESC-RBSFLKMASA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001193447089 852429263 /nfs/dbraw/zinc/42/92/63/852429263.db2.gz JADWVJCNOQNESC-RBSFLKMASA-N 2 2 356.442 0.633 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001194063954 852533804 /nfs/dbraw/zinc/53/38/04/852533804.db2.gz UOMXOJCVZMDONR-HZPDHXFCSA-N 2 2 352.479 0.905 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001194063954 852533808 /nfs/dbraw/zinc/53/38/08/852533808.db2.gz UOMXOJCVZMDONR-HZPDHXFCSA-N 2 2 352.479 0.905 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CC1 ZINC001194909125 852670563 /nfs/dbraw/zinc/67/05/63/852670563.db2.gz KGBRFHZMRUXNTF-OAGGEKHMSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CC1 ZINC001194909125 852670566 /nfs/dbraw/zinc/67/05/66/852670566.db2.gz KGBRFHZMRUXNTF-OAGGEKHMSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001195149631 852715448 /nfs/dbraw/zinc/71/54/48/852715448.db2.gz VMMKKJCGDWUEGV-ZACQAIPSSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001195149631 852715452 /nfs/dbraw/zinc/71/54/52/852715452.db2.gz VMMKKJCGDWUEGV-ZACQAIPSSA-N 2 2 350.463 0.640 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594430 852793339 /nfs/dbraw/zinc/79/33/39/852793339.db2.gz MWJXGCUVXFVBFA-BRWVUGGUSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594430 852793347 /nfs/dbraw/zinc/79/33/47/852793347.db2.gz MWJXGCUVXFVBFA-BRWVUGGUSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594430 852793356 /nfs/dbraw/zinc/79/33/56/852793356.db2.gz MWJXGCUVXFVBFA-BRWVUGGUSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594430 852793360 /nfs/dbraw/zinc/79/33/60/852793360.db2.gz MWJXGCUVXFVBFA-BRWVUGGUSA-N 2 2 357.495 0.074 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001195972730 852858059 /nfs/dbraw/zinc/85/80/59/852858059.db2.gz KDPWPQQONSYAIR-BFYDXBDKSA-N 2 2 350.463 0.338 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001195972730 852858060 /nfs/dbraw/zinc/85/80/60/852858060.db2.gz KDPWPQQONSYAIR-BFYDXBDKSA-N 2 2 350.463 0.338 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196252276 852924991 /nfs/dbraw/zinc/92/49/91/852924991.db2.gz WSDKTFFSAISLOA-KCYZZUKISA-N 2 2 350.463 0.502 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196252276 852924993 /nfs/dbraw/zinc/92/49/93/852924993.db2.gz WSDKTFFSAISLOA-KCYZZUKISA-N 2 2 350.463 0.502 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)n1 ZINC001196268334 852928678 /nfs/dbraw/zinc/92/86/78/852928678.db2.gz RQZDVWITKLUHBE-OWCLPIDISA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)n1 ZINC001196268334 852928682 /nfs/dbraw/zinc/92/86/82/852928682.db2.gz RQZDVWITKLUHBE-OWCLPIDISA-N 2 2 350.463 0.482 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308189 852934489 /nfs/dbraw/zinc/93/44/89/852934489.db2.gz YCDKVWVVJMGILG-NUEKZKHPSA-N 2 2 368.503 0.305 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O)[NH+]1CCCC1 ZINC001196308189 852934493 /nfs/dbraw/zinc/93/44/93/852934493.db2.gz YCDKVWVVJMGILG-NUEKZKHPSA-N 2 2 368.503 0.305 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1O ZINC001196918116 853031008 /nfs/dbraw/zinc/03/10/08/853031008.db2.gz BMXSFGBFEJFLCD-HZPDHXFCSA-N 2 2 363.487 0.832 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1O ZINC001196918116 853031013 /nfs/dbraw/zinc/03/10/13/853031013.db2.gz BMXSFGBFEJFLCD-HZPDHXFCSA-N 2 2 363.487 0.832 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197138777 853064455 /nfs/dbraw/zinc/06/44/55/853064455.db2.gz GTHZNWVRZJRWMJ-QZTJIDSGSA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197138777 853064462 /nfs/dbraw/zinc/06/44/62/853064462.db2.gz GTHZNWVRZJRWMJ-QZTJIDSGSA-N 2 2 355.523 0.942 20 0 FCADLP COCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001197187999 853077852 /nfs/dbraw/zinc/07/78/52/853077852.db2.gz QFESCYGJDIFLCI-HZPDHXFCSA-N 2 2 350.463 0.721 20 0 FCADLP COCCOCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001197187999 853077857 /nfs/dbraw/zinc/07/78/57/853077857.db2.gz QFESCYGJDIFLCI-HZPDHXFCSA-N 2 2 350.463 0.721 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925967 853187971 /nfs/dbraw/zinc/18/79/71/853187971.db2.gz AFOASKVMJJOMNV-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925967 853187980 /nfs/dbraw/zinc/18/79/80/853187980.db2.gz AFOASKVMJJOMNV-ARFHVFGLSA-N 2 2 356.511 0.040 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001197948037 853190088 /nfs/dbraw/zinc/19/00/88/853190088.db2.gz DGLQZGYMJUQHAV-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001197948037 853190090 /nfs/dbraw/zinc/19/00/90/853190090.db2.gz DGLQZGYMJUQHAV-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198037996 853209681 /nfs/dbraw/zinc/20/96/81/853209681.db2.gz FIFDRODENGQGPB-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198037996 853209687 /nfs/dbraw/zinc/20/96/87/853209687.db2.gz FIFDRODENGQGPB-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198037996 853209695 /nfs/dbraw/zinc/20/96/95/853209695.db2.gz FIFDRODENGQGPB-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198037996 853209704 /nfs/dbraw/zinc/20/97/04/853209704.db2.gz FIFDRODENGQGPB-BZUAXINKSA-N 2 2 356.511 0.184 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cs1 ZINC001198699618 853303891 /nfs/dbraw/zinc/30/38/91/853303891.db2.gz UQKQIJUUQFXOLL-IAOVAPTHSA-N 2 2 367.515 0.686 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cs1 ZINC001198699618 853303895 /nfs/dbraw/zinc/30/38/95/853303895.db2.gz UQKQIJUUQFXOLL-IAOVAPTHSA-N 2 2 367.515 0.686 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)on1 ZINC001198729171 853307603 /nfs/dbraw/zinc/30/76/03/853307603.db2.gz FFIBBTWVPSMVCG-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)on1 ZINC001198729171 853307609 /nfs/dbraw/zinc/30/76/09/853307609.db2.gz FFIBBTWVPSMVCG-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001199057547 853361347 /nfs/dbraw/zinc/36/13/47/853361347.db2.gz MXKCPFKAPNPMEX-HZPDHXFCSA-N 2 2 369.897 0.574 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001199057547 853361351 /nfs/dbraw/zinc/36/13/51/853361351.db2.gz MXKCPFKAPNPMEX-HZPDHXFCSA-N 2 2 369.897 0.574 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001199097173 853369529 /nfs/dbraw/zinc/36/95/29/853369529.db2.gz WTGMNGRWEFCITJ-KZNAEPCWSA-N 2 2 353.507 0.839 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@H]1O ZINC001199097173 853369532 /nfs/dbraw/zinc/36/95/32/853369532.db2.gz WTGMNGRWEFCITJ-KZNAEPCWSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001199097173 853369536 /nfs/dbraw/zinc/36/95/36/853369536.db2.gz WTGMNGRWEFCITJ-KZNAEPCWSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001199097173 853369539 /nfs/dbraw/zinc/36/95/39/853369539.db2.gz WTGMNGRWEFCITJ-KZNAEPCWSA-N 2 2 353.507 0.839 20 0 FCADLP CN1CC[N@@H+](C)C2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)C1=O ZINC001200421544 853495775 /nfs/dbraw/zinc/49/57/75/853495775.db2.gz LCJOCEKUYGRQLR-UHFFFAOYSA-N 2 2 367.563 0.585 20 0 FCADLP CN1CC[N@H+](C)C2(CCN(C(=S)NCC[NH+]3CCCCC3)CC2)C1=O ZINC001200421544 853495765 /nfs/dbraw/zinc/49/57/65/853495765.db2.gz LCJOCEKUYGRQLR-UHFFFAOYSA-N 2 2 367.563 0.585 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206619849 853703931 /nfs/dbraw/zinc/70/39/31/853703931.db2.gz IMZUXKHFNBSAQY-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206619849 853703940 /nfs/dbraw/zinc/70/39/40/853703940.db2.gz IMZUXKHFNBSAQY-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206619849 853703950 /nfs/dbraw/zinc/70/39/50/853703950.db2.gz IMZUXKHFNBSAQY-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206619849 853703957 /nfs/dbraw/zinc/70/39/57/853703957.db2.gz IMZUXKHFNBSAQY-BZUAXINKSA-N 2 2 359.536 0.730 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)CC)C[C@H]2C)CC[N@@H+]1C ZINC001207001159 853779531 /nfs/dbraw/zinc/77/95/31/853779531.db2.gz RZNSMHCBLFZVLB-YYIAUSFCSA-N 2 2 373.563 0.978 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)CC)C[C@H]2C)CC[N@H+]1C ZINC001207001159 853779533 /nfs/dbraw/zinc/77/95/33/853779533.db2.gz RZNSMHCBLFZVLB-YYIAUSFCSA-N 2 2 373.563 0.978 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCS(=O)(=O)CC)C[C@H]2C)CC[NH+]1C ZINC001207001159 853779536 /nfs/dbraw/zinc/77/95/36/853779536.db2.gz RZNSMHCBLFZVLB-YYIAUSFCSA-N 2 2 373.563 0.978 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCS(=O)(=O)CC)C[C@H]2C)CC[NH+]1C ZINC001207001159 853779540 /nfs/dbraw/zinc/77/95/40/853779540.db2.gz RZNSMHCBLFZVLB-YYIAUSFCSA-N 2 2 373.563 0.978 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)CS(C)(=O)=O ZINC001207540894 853822191 /nfs/dbraw/zinc/82/21/91/853822191.db2.gz KJCJMTDDTSDEBO-RRFJBIMHSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)CS(C)(=O)=O ZINC001207540894 853822197 /nfs/dbraw/zinc/82/21/97/853822197.db2.gz KJCJMTDDTSDEBO-RRFJBIMHSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563344 853826032 /nfs/dbraw/zinc/82/60/32/853826032.db2.gz PYOAAIRETNLFDH-SQWLQELKSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563344 853826035 /nfs/dbraw/zinc/82/60/35/853826035.db2.gz PYOAAIRETNLFDH-SQWLQELKSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563344 853826038 /nfs/dbraw/zinc/82/60/38/853826038.db2.gz PYOAAIRETNLFDH-SQWLQELKSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H](C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1)CS(C)(=O)=O ZINC001207563344 853826040 /nfs/dbraw/zinc/82/60/40/853826040.db2.gz PYOAAIRETNLFDH-SQWLQELKSA-N 2 2 359.536 0.588 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859527 853864299 /nfs/dbraw/zinc/86/42/99/853864299.db2.gz TVWMJDIGQUFZAZ-HZPDHXFCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859527 853864302 /nfs/dbraw/zinc/86/43/02/853864302.db2.gz TVWMJDIGQUFZAZ-HZPDHXFCSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207868272 853865673 /nfs/dbraw/zinc/86/56/73/853865673.db2.gz OXDNEWLGEGPWIG-CZUORRHYSA-N 2 2 364.471 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001207868272 853865677 /nfs/dbraw/zinc/86/56/77/853865677.db2.gz OXDNEWLGEGPWIG-CZUORRHYSA-N 2 2 364.471 0.819 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252875 853907187 /nfs/dbraw/zinc/90/71/87/853907187.db2.gz XRNTWUYIEVKMHE-QLFBSQMISA-N 2 2 354.476 0.144 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252875 853907193 /nfs/dbraw/zinc/90/71/93/853907193.db2.gz XRNTWUYIEVKMHE-QLFBSQMISA-N 2 2 354.476 0.144 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208364302 853922374 /nfs/dbraw/zinc/92/23/74/853922374.db2.gz BONIWWGANUBUOB-BFHYXJOUSA-N 2 2 369.491 0.033 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208364302 853922379 /nfs/dbraw/zinc/92/23/79/853922379.db2.gz BONIWWGANUBUOB-BFHYXJOUSA-N 2 2 369.491 0.033 20 0 FCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441993 853934101 /nfs/dbraw/zinc/93/41/01/853934101.db2.gz YWUCDZSAZVBLPV-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441993 853934105 /nfs/dbraw/zinc/93/41/05/853934105.db2.gz YWUCDZSAZVBLPV-FRRDWIJNSA-N 2 2 366.428 0.832 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208590180 853957243 /nfs/dbraw/zinc/95/72/43/853957243.db2.gz FEXUGMBVCCWYLR-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208590180 853957247 /nfs/dbraw/zinc/95/72/47/853957247.db2.gz FEXUGMBVCCWYLR-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001208590180 853957252 /nfs/dbraw/zinc/95/72/52/853957252.db2.gz FEXUGMBVCCWYLR-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001208590180 853957257 /nfs/dbraw/zinc/95/72/57/853957257.db2.gz FEXUGMBVCCWYLR-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616399 853960543 /nfs/dbraw/zinc/96/05/43/853960543.db2.gz ZBSFNWGAZBTLPK-KZNAEPCWSA-N 3 2 352.523 0.439 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616399 853960546 /nfs/dbraw/zinc/96/05/46/853960546.db2.gz ZBSFNWGAZBTLPK-KZNAEPCWSA-N 3 2 352.523 0.439 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616399 853960551 /nfs/dbraw/zinc/96/05/51/853960551.db2.gz ZBSFNWGAZBTLPK-KZNAEPCWSA-N 3 2 352.523 0.439 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616399 853960558 /nfs/dbraw/zinc/96/05/58/853960558.db2.gz ZBSFNWGAZBTLPK-KZNAEPCWSA-N 3 2 352.523 0.439 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001209635727 854042230 /nfs/dbraw/zinc/04/22/30/854042230.db2.gz WBHGUGVVHJBITL-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC001209635727 854042236 /nfs/dbraw/zinc/04/22/36/854042236.db2.gz WBHGUGVVHJBITL-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835840 854056256 /nfs/dbraw/zinc/05/62/56/854056256.db2.gz BFWPFTQNVNPMLP-IUODEOHRSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835840 854056261 /nfs/dbraw/zinc/05/62/61/854056261.db2.gz BFWPFTQNVNPMLP-IUODEOHRSA-N 2 2 367.519 0.894 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210514128 854115837 /nfs/dbraw/zinc/11/58/37/854115837.db2.gz QZRGOZSUQBFTQN-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210514128 854115840 /nfs/dbraw/zinc/11/58/40/854115840.db2.gz QZRGOZSUQBFTQN-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210514128 854115842 /nfs/dbraw/zinc/11/58/42/854115842.db2.gz QZRGOZSUQBFTQN-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001210514128 854115844 /nfs/dbraw/zinc/11/58/44/854115844.db2.gz QZRGOZSUQBFTQN-HUUCEWRRSA-N 2 2 359.536 0.590 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210604105 854120458 /nfs/dbraw/zinc/12/04/58/854120458.db2.gz LUNXPURUCKWLHZ-IUODEOHRSA-N 2 2 371.507 0.027 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210604105 854120462 /nfs/dbraw/zinc/12/04/62/854120462.db2.gz LUNXPURUCKWLHZ-IUODEOHRSA-N 2 2 371.507 0.027 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001211038649 854149040 /nfs/dbraw/zinc/14/90/40/854149040.db2.gz JUJNUEDWAJXXKK-GZBFAFLISA-N 2 2 356.492 0.309 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001211038649 854149043 /nfs/dbraw/zinc/14/90/43/854149043.db2.gz JUJNUEDWAJXXKK-GZBFAFLISA-N 2 2 356.492 0.309 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001211364721 854181981 /nfs/dbraw/zinc/18/19/81/854181981.db2.gz ORVHAMFPJNOHEY-CHWSQXEVSA-N 2 2 366.428 0.784 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001211364721 854181983 /nfs/dbraw/zinc/18/19/83/854181983.db2.gz ORVHAMFPJNOHEY-CHWSQXEVSA-N 2 2 366.428 0.784 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001211364721 854181984 /nfs/dbraw/zinc/18/19/84/854181984.db2.gz ORVHAMFPJNOHEY-CHWSQXEVSA-N 2 2 366.428 0.784 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001211364721 854181986 /nfs/dbraw/zinc/18/19/86/854181986.db2.gz ORVHAMFPJNOHEY-CHWSQXEVSA-N 2 2 366.428 0.784 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001211450388 854200582 /nfs/dbraw/zinc/20/05/82/854200582.db2.gz XOINAVIBCOBZFM-BZUAXINKSA-N 2 2 370.519 0.781 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001211450388 854200594 /nfs/dbraw/zinc/20/05/94/854200594.db2.gz XOINAVIBCOBZFM-BZUAXINKSA-N 2 2 370.519 0.781 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001212253347 854416881 /nfs/dbraw/zinc/41/68/81/854416881.db2.gz CKMPTKKRQKDZLR-QLFBSQMISA-N 2 2 363.449 0.956 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001212253347 854416883 /nfs/dbraw/zinc/41/68/83/854416883.db2.gz CKMPTKKRQKDZLR-QLFBSQMISA-N 2 2 363.449 0.956 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001212253347 854416884 /nfs/dbraw/zinc/41/68/84/854416884.db2.gz CKMPTKKRQKDZLR-QLFBSQMISA-N 2 2 363.449 0.956 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001212253347 854416886 /nfs/dbraw/zinc/41/68/86/854416886.db2.gz CKMPTKKRQKDZLR-QLFBSQMISA-N 2 2 363.449 0.956 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416239 854469033 /nfs/dbraw/zinc/46/90/33/854469033.db2.gz DUAXGDJUJNSSFT-HZPDHXFCSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416239 854469046 /nfs/dbraw/zinc/46/90/46/854469046.db2.gz DUAXGDJUJNSSFT-HZPDHXFCSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212416239 854469053 /nfs/dbraw/zinc/46/90/53/854469053.db2.gz DUAXGDJUJNSSFT-HZPDHXFCSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416239 854469061 /nfs/dbraw/zinc/46/90/61/854469061.db2.gz DUAXGDJUJNSSFT-HZPDHXFCSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414079 854469683 /nfs/dbraw/zinc/46/96/83/854469683.db2.gz CZRGOSROUVSXCM-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414079 854469684 /nfs/dbraw/zinc/46/96/84/854469684.db2.gz CZRGOSROUVSXCM-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414079 854469686 /nfs/dbraw/zinc/46/96/86/854469686.db2.gz CZRGOSROUVSXCM-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414079 854469688 /nfs/dbraw/zinc/46/96/88/854469688.db2.gz CZRGOSROUVSXCM-HZPDHXFCSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC)[NH+](C)C ZINC001212461197 854488577 /nfs/dbraw/zinc/48/85/77/854488577.db2.gz SAGHGMALQNKQOC-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC)[NH+](C)C ZINC001212461197 854488580 /nfs/dbraw/zinc/48/85/80/854488580.db2.gz SAGHGMALQNKQOC-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204431 854531905 /nfs/dbraw/zinc/53/19/05/854531905.db2.gz KEVDJUCFHBQELQ-HZPDHXFCSA-N 2 2 352.479 0.985 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CC1 ZINC001213243932 854548318 /nfs/dbraw/zinc/54/83/18/854548318.db2.gz QSALNIGLTYXLQN-IXDOHACOSA-N 2 2 350.463 0.904 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1)C1CC1 ZINC001213243932 854548321 /nfs/dbraw/zinc/54/83/21/854548321.db2.gz QSALNIGLTYXLQN-IXDOHACOSA-N 2 2 350.463 0.904 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376957 854594130 /nfs/dbraw/zinc/59/41/30/854594130.db2.gz PURTTWKEKDFHKH-HZPDHXFCSA-N 2 2 356.511 0.399 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213376957 854594133 /nfs/dbraw/zinc/59/41/33/854594133.db2.gz PURTTWKEKDFHKH-HZPDHXFCSA-N 2 2 356.511 0.399 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380198 854596171 /nfs/dbraw/zinc/59/61/71/854596171.db2.gz MQRZOXXMHCCCMB-BFYDXBDKSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213380198 854596173 /nfs/dbraw/zinc/59/61/73/854596173.db2.gz MQRZOXXMHCCCMB-BFYDXBDKSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446441 854619261 /nfs/dbraw/zinc/61/92/61/854619261.db2.gz LAPXBLAOHMZWGE-HUUCEWRRSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446441 854619272 /nfs/dbraw/zinc/61/92/72/854619272.db2.gz LAPXBLAOHMZWGE-HUUCEWRRSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446441 854619284 /nfs/dbraw/zinc/61/92/84/854619284.db2.gz LAPXBLAOHMZWGE-HUUCEWRRSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446441 854619290 /nfs/dbraw/zinc/61/92/90/854619290.db2.gz LAPXBLAOHMZWGE-HUUCEWRRSA-N 2 2 356.511 0.304 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC)[NH+](C)C ZINC001213455906 854624730 /nfs/dbraw/zinc/62/47/30/854624730.db2.gz STPRLWSOTANZFP-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC)[NH+](C)C ZINC001213455906 854624735 /nfs/dbraw/zinc/62/47/35/854624735.db2.gz STPRLWSOTANZFP-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC)[NH+](C)C ZINC001213455770 854625422 /nfs/dbraw/zinc/62/54/22/854625422.db2.gz MTCPGCPIHXKXNE-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC)[NH+](C)C ZINC001213455770 854625425 /nfs/dbraw/zinc/62/54/25/854625425.db2.gz MTCPGCPIHXKXNE-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213598395 854680660 /nfs/dbraw/zinc/68/06/60/854680660.db2.gz FWDDKRPNQBNJDF-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213598395 854680663 /nfs/dbraw/zinc/68/06/63/854680663.db2.gz FWDDKRPNQBNJDF-BZUAXINKSA-N 2 2 356.511 0.399 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213718797 854732318 /nfs/dbraw/zinc/73/23/18/854732318.db2.gz ACPPPVGVJNPWAZ-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213718797 854732328 /nfs/dbraw/zinc/73/23/28/854732328.db2.gz ACPPPVGVJNPWAZ-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001213718797 854732338 /nfs/dbraw/zinc/73/23/38/854732338.db2.gz ACPPPVGVJNPWAZ-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001213718797 854732343 /nfs/dbraw/zinc/73/23/43/854732343.db2.gz ACPPPVGVJNPWAZ-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719036 854734314 /nfs/dbraw/zinc/73/43/14/854734314.db2.gz KSGHOFSLPUGHHU-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719036 854734324 /nfs/dbraw/zinc/73/43/24/854734324.db2.gz KSGHOFSLPUGHHU-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213719036 854734333 /nfs/dbraw/zinc/73/43/33/854734333.db2.gz KSGHOFSLPUGHHU-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213719036 854734341 /nfs/dbraw/zinc/73/43/41/854734341.db2.gz KSGHOFSLPUGHHU-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802618 854774944 /nfs/dbraw/zinc/77/49/44/854774944.db2.gz ZENXQZAENOXKRW-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802618 854774948 /nfs/dbraw/zinc/77/49/48/854774948.db2.gz ZENXQZAENOXKRW-IAGOWNOFSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802195 854775255 /nfs/dbraw/zinc/77/52/55/854775255.db2.gz NPYSPKPXOJRJGV-USXIJHARSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802195 854775260 /nfs/dbraw/zinc/77/52/60/854775260.db2.gz NPYSPKPXOJRJGV-USXIJHARSA-N 2 2 350.463 0.595 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914640 854821803 /nfs/dbraw/zinc/82/18/03/854821803.db2.gz PLQYYBAKRQLZBT-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914640 854821807 /nfs/dbraw/zinc/82/18/07/854821807.db2.gz PLQYYBAKRQLZBT-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001214531245 854963953 /nfs/dbraw/zinc/96/39/53/854963953.db2.gz UQZAPRIRVYDOKY-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001214530688 854964443 /nfs/dbraw/zinc/96/44/43/854964443.db2.gz DPKMRKLQWNFXGN-ZIAGYGMSSA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215006625 855050912 /nfs/dbraw/zinc/05/09/12/855050912.db2.gz YHYKFGNBFOWKNX-RBSFLKMASA-N 2 2 368.503 0.317 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001215008394 855051684 /nfs/dbraw/zinc/05/16/84/855051684.db2.gz NBUNZJJKFGDCCR-RBSFLKMASA-N 2 2 368.503 0.317 20 0 FCADLP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1)[NH+]1CCCC1 ZINC001215598981 855131547 /nfs/dbraw/zinc/13/15/47/855131547.db2.gz MDYOCGQKPFLZQQ-IIAWOOMASA-N 2 2 367.519 0.976 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnns1 ZINC001215934061 855157708 /nfs/dbraw/zinc/15/77/08/855157708.db2.gz DYWZPHXZOCXBBL-GDBMZVCRSA-N 2 2 367.519 0.977 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCOC[C@H]1CCCCO1 ZINC001216064597 855167493 /nfs/dbraw/zinc/16/74/93/855167493.db2.gz CYWLHKRKWWHOHX-BZUAXINKSA-N 2 2 350.463 0.974 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392897 855198623 /nfs/dbraw/zinc/19/86/23/855198623.db2.gz SHDATCDXMJFYEL-UKRRQHHQSA-N 2 2 356.492 0.224 20 0 FCADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216402279 855199568 /nfs/dbraw/zinc/19/95/68/855199568.db2.gz YQEJCKCAHFPHTC-ZIAGYGMSSA-N 2 2 353.467 0.537 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001216564550 855212764 /nfs/dbraw/zinc/21/27/64/855212764.db2.gz AHAIZMORSPBFOA-IUODEOHRSA-N 2 2 368.503 0.522 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218339822 855416055 /nfs/dbraw/zinc/41/60/55/855416055.db2.gz AKUXOLUVFCSQRE-JKSUJKDBSA-N 2 2 350.463 0.691 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001218339822 855416062 /nfs/dbraw/zinc/41/60/62/855416062.db2.gz AKUXOLUVFCSQRE-JKSUJKDBSA-N 2 2 350.463 0.691 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1nc(Br)cn2ccnc12 ZINC001218563762 855440627 /nfs/dbraw/zinc/44/06/27/855440627.db2.gz PYBGALIOUYEPKR-UHFFFAOYSA-N 2 2 353.224 0.772 20 0 FCADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218583129 855444519 /nfs/dbraw/zinc/44/45/19/855444519.db2.gz ZMTKVKODZYYRAG-QWHCGFSZSA-N 2 2 353.385 0.429 20 0 FCADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]21 ZINC001218583129 855444525 /nfs/dbraw/zinc/44/45/25/855444525.db2.gz ZMTKVKODZYYRAG-QWHCGFSZSA-N 2 2 353.385 0.429 20 0 FCADLP COC(=O)c1cc(Br)cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218733526 855472638 /nfs/dbraw/zinc/47/26/38/855472638.db2.gz FUGZXCHZDGEKLP-SECBINFHSA-N 2 2 368.191 0.862 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819799 855482435 /nfs/dbraw/zinc/48/24/35/855482435.db2.gz OXVSIGRZHGDIHZ-OWCLPIDISA-N 2 2 354.495 0.284 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819799 855482437 /nfs/dbraw/zinc/48/24/37/855482437.db2.gz OXVSIGRZHGDIHZ-OWCLPIDISA-N 2 2 354.495 0.284 20 0 FCADLP COC(=O)c1cc(Br)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc1OC ZINC001218865877 855488360 /nfs/dbraw/zinc/48/83/60/855488360.db2.gz NXOWLBLABWMIGR-CPCISQLKSA-N 2 2 372.219 0.872 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218918911 855496054 /nfs/dbraw/zinc/49/60/54/855496054.db2.gz JXJDIEDXOFFICY-DLBZAZTESA-N 2 2 350.463 0.990 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218918911 855496058 /nfs/dbraw/zinc/49/60/58/855496058.db2.gz JXJDIEDXOFFICY-DLBZAZTESA-N 2 2 350.463 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918911 855496061 /nfs/dbraw/zinc/49/60/61/855496061.db2.gz JXJDIEDXOFFICY-DLBZAZTESA-N 2 2 350.463 0.990 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218918911 855496064 /nfs/dbraw/zinc/49/60/64/855496064.db2.gz JXJDIEDXOFFICY-DLBZAZTESA-N 2 2 350.463 0.990 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219002980 855509791 /nfs/dbraw/zinc/50/97/91/855509791.db2.gz MTBVLKKKBYQLFW-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219002980 855509799 /nfs/dbraw/zinc/50/97/99/855509799.db2.gz MTBVLKKKBYQLFW-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219002980 855509805 /nfs/dbraw/zinc/50/98/05/855509805.db2.gz MTBVLKKKBYQLFW-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@@H]21 ZINC001219002980 855509809 /nfs/dbraw/zinc/50/98/09/855509809.db2.gz MTBVLKKKBYQLFW-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004425 855510247 /nfs/dbraw/zinc/51/02/47/855510247.db2.gz JMHOPDFVRVODGH-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004425 855510253 /nfs/dbraw/zinc/51/02/53/855510253.db2.gz JMHOPDFVRVODGH-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004425 855510256 /nfs/dbraw/zinc/51/02/56/855510256.db2.gz JMHOPDFVRVODGH-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]21 ZINC001219004425 855510261 /nfs/dbraw/zinc/51/02/61/855510261.db2.gz JMHOPDFVRVODGH-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-n3cnc(Br)n3)cc2)C1 ZINC001219251869 855602825 /nfs/dbraw/zinc/60/28/25/855602825.db2.gz KHCMHZBNEKEMQZ-KCJUWKMLSA-N 2 2 351.208 0.658 20 0 FCADLP CN(C)C(=O)c1cc(Br)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219278464 855614730 /nfs/dbraw/zinc/61/47/30/855614730.db2.gz PBSTUZKWWSEESQ-SKDRFNHKSA-N 2 2 355.236 0.779 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219565435 855717124 /nfs/dbraw/zinc/71/71/24/855717124.db2.gz HNTLLDYOAOITED-ZDUSSCGKSA-N 2 2 363.853 0.519 20 0 FCADLP O=C(CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cccc(Br)c1 ZINC001219577801 855720642 /nfs/dbraw/zinc/72/06/42/855720642.db2.gz NJIZDRMHHGDKIE-XHDPSFHLSA-N 2 2 352.232 0.700 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001219842187 855842430 /nfs/dbraw/zinc/84/24/30/855842430.db2.gz KDPWPQQONSYAIR-VYDXJSESSA-N 2 2 350.463 0.338 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001219842187 855842437 /nfs/dbraw/zinc/84/24/37/855842437.db2.gz KDPWPQQONSYAIR-VYDXJSESSA-N 2 2 350.463 0.338 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219902383 855872370 /nfs/dbraw/zinc/87/23/70/855872370.db2.gz AKSLBSQLHLYJQD-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219902383 855872373 /nfs/dbraw/zinc/87/23/73/855872373.db2.gz AKSLBSQLHLYJQD-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902383 855872378 /nfs/dbraw/zinc/87/23/78/855872378.db2.gz AKSLBSQLHLYJQD-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902383 855872382 /nfs/dbraw/zinc/87/23/82/855872382.db2.gz AKSLBSQLHLYJQD-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CSCc2ccc(C)cc2)C[NH2+]1 ZINC001219965499 855899471 /nfs/dbraw/zinc/89/94/71/855899471.db2.gz PMAQPFOHFDJCFG-ILXRZTDVSA-N 2 2 351.472 0.575 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CSCc2ccc(OC)cc2)C[NH2+]1 ZINC001219968301 855900900 /nfs/dbraw/zinc/90/09/00/855900900.db2.gz ZCCDGHQMTRGWAM-SNPRPXQTSA-N 2 2 367.471 0.275 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CC1 ZINC001220051646 855933550 /nfs/dbraw/zinc/93/35/50/855933550.db2.gz KGBRFHZMRUXNTF-PMPSAXMXSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CC1 ZINC001220051646 855933553 /nfs/dbraw/zinc/93/35/53/855933553.db2.gz KGBRFHZMRUXNTF-PMPSAXMXSA-N 2 2 350.463 0.329 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)[C@]2(N)CCC[NH2+]C2)cs1 ZINC001220128749 855974064 /nfs/dbraw/zinc/97/40/64/855974064.db2.gz MWSGZOYGNXBCGO-HNNXBMFYSA-N 2 2 357.549 0.635 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)C[C@H]2COCC[NH2+]2)cs1 ZINC001220128530 855974228 /nfs/dbraw/zinc/97/42/28/855974228.db2.gz IRSHPLBEHRLWFA-LBPRGKRZSA-N 2 2 358.533 0.933 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220185303 855997915 /nfs/dbraw/zinc/99/79/15/855997915.db2.gz FKWGNCBTTAKOAW-OLZOCXBDSA-N 2 2 353.417 0.495 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)CC[N@@H+]1C ZINC001220214649 856013853 /nfs/dbraw/zinc/01/38/53/856013853.db2.gz JBKJNIYBWPXOIA-FQUUOJAGSA-N 2 2 367.412 0.457 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)CC[N@H+]1C ZINC001220214649 856013864 /nfs/dbraw/zinc/01/38/64/856013864.db2.gz JBKJNIYBWPXOIA-FQUUOJAGSA-N 2 2 367.412 0.457 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001220214649 856013877 /nfs/dbraw/zinc/01/38/77/856013877.db2.gz JBKJNIYBWPXOIA-FQUUOJAGSA-N 2 2 367.412 0.457 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001220214649 856013888 /nfs/dbraw/zinc/01/38/88/856013888.db2.gz JBKJNIYBWPXOIA-FQUUOJAGSA-N 2 2 367.412 0.457 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220238023 856026185 /nfs/dbraw/zinc/02/61/85/856026185.db2.gz KJYALHMKVXJJCR-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220238023 856026193 /nfs/dbraw/zinc/02/61/93/856026193.db2.gz KJYALHMKVXJJCR-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001220297294 856050699 /nfs/dbraw/zinc/05/06/99/856050699.db2.gz UGPZDOZVRYITGT-OWCLPIDISA-N 2 2 354.520 0.742 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)cs1 ZINC001220297294 856050707 /nfs/dbraw/zinc/05/07/07/856050707.db2.gz UGPZDOZVRYITGT-OWCLPIDISA-N 2 2 354.520 0.742 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1O)C2 ZINC001220355087 856080571 /nfs/dbraw/zinc/08/05/71/856080571.db2.gz CITLLLNCGVAUMM-OIISXLGYSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O)C2 ZINC001220355087 856080578 /nfs/dbraw/zinc/08/05/78/856080578.db2.gz CITLLLNCGVAUMM-OIISXLGYSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001220549781 856180254 /nfs/dbraw/zinc/18/02/54/856180254.db2.gz BMXSFGBFEJFLCD-CVEARBPZSA-N 2 2 363.487 0.832 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001220549781 856180257 /nfs/dbraw/zinc/18/02/57/856180257.db2.gz BMXSFGBFEJFLCD-CVEARBPZSA-N 2 2 363.487 0.832 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220608233 856204945 /nfs/dbraw/zinc/20/49/45/856204945.db2.gz SNCUIOZINWXEBU-KBPBESRZSA-N 3 2 366.263 0.869 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220747040 856277020 /nfs/dbraw/zinc/27/70/20/856277020.db2.gz WTCJMFLEFGCULP-PMPSAXMXSA-N 2 2 356.511 0.314 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001220747040 856277011 /nfs/dbraw/zinc/27/70/11/856277011.db2.gz WTCJMFLEFGCULP-PMPSAXMXSA-N 2 2 356.511 0.314 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001220807560 856310865 /nfs/dbraw/zinc/31/08/65/856310865.db2.gz XDNULOHANDPVTC-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001220807560 856310874 /nfs/dbraw/zinc/31/08/74/856310874.db2.gz XDNULOHANDPVTC-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP COc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3COCC[NH2+]3)CC2)c1 ZINC001220911163 856370013 /nfs/dbraw/zinc/37/00/13/856370013.db2.gz IMOPEPSZVZBLIF-KRWDZBQOSA-N 2 2 351.422 0.903 20 0 FCADLP N[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC001220918765 856374633 /nfs/dbraw/zinc/37/46/33/856374633.db2.gz FUUZVLTTWOWMDU-GOEBONIOSA-N 2 2 367.291 0.830 20 0 FCADLP N[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)CC[NH2+]C1 ZINC001220918765 856374639 /nfs/dbraw/zinc/37/46/39/856374639.db2.gz FUUZVLTTWOWMDU-GOEBONIOSA-N 2 2 367.291 0.830 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[NH2+]CCN1 ZINC001220918669 856374675 /nfs/dbraw/zinc/37/46/75/856374675.db2.gz BCCWRJCAYORQMY-GJZGRUSLSA-N 2 2 367.291 0.701 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@@H]1C[NH2+]CCN1 ZINC001220918669 856374680 /nfs/dbraw/zinc/37/46/80/856374680.db2.gz BCCWRJCAYORQMY-GJZGRUSLSA-N 2 2 367.291 0.701 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001279247116 862789444 /nfs/dbraw/zinc/78/94/44/862789444.db2.gz QVDVALNSOSVLLQ-LJQANCHMSA-N 2 2 352.523 0.585 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001279247116 862789463 /nfs/dbraw/zinc/78/94/63/862789463.db2.gz QVDVALNSOSVLLQ-LJQANCHMSA-N 2 2 352.523 0.585 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001279247116 862789481 /nfs/dbraw/zinc/78/94/81/862789481.db2.gz QVDVALNSOSVLLQ-LJQANCHMSA-N 2 2 352.523 0.585 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001279247116 862789489 /nfs/dbraw/zinc/78/94/89/862789489.db2.gz QVDVALNSOSVLLQ-LJQANCHMSA-N 2 2 352.523 0.585 20 0 FCADLP COCCC1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCS(=O)(=O)CC1 ZINC001221028025 856431757 /nfs/dbraw/zinc/43/17/57/856431757.db2.gz CFVGVLZEQXKVBC-OAHLLOKOSA-N 2 2 369.487 0.359 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)o1 ZINC001221093220 856459453 /nfs/dbraw/zinc/45/94/53/856459453.db2.gz GDWPMZKIOPZAHW-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)o1 ZINC001221093220 856459456 /nfs/dbraw/zinc/45/94/56/856459456.db2.gz GDWPMZKIOPZAHW-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)o1 ZINC001221093220 856459461 /nfs/dbraw/zinc/45/94/61/856459461.db2.gz GDWPMZKIOPZAHW-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)o1 ZINC001221093220 856459467 /nfs/dbraw/zinc/45/94/67/856459467.db2.gz GDWPMZKIOPZAHW-CABCVRRESA-N 2 2 352.479 0.937 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)n1 ZINC001221093165 856459772 /nfs/dbraw/zinc/45/97/72/856459772.db2.gz DPHXLJSMJJKKSL-CVEARBPZSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)n1 ZINC001221093165 856459779 /nfs/dbraw/zinc/45/97/79/856459779.db2.gz DPHXLJSMJJKKSL-CVEARBPZSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)n1 ZINC001221093165 856459783 /nfs/dbraw/zinc/45/97/83/856459783.db2.gz DPHXLJSMJJKKSL-CVEARBPZSA-N 2 2 350.463 0.482 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)n1 ZINC001221093165 856459792 /nfs/dbraw/zinc/45/97/92/856459792.db2.gz DPHXLJSMJJKKSL-CVEARBPZSA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221587686 856612896 /nfs/dbraw/zinc/61/28/96/856612896.db2.gz DIUHYGFGTFXGPN-BZUAXINKSA-N 2 2 356.486 0.724 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221587686 856612902 /nfs/dbraw/zinc/61/29/02/856612902.db2.gz DIUHYGFGTFXGPN-BZUAXINKSA-N 2 2 356.486 0.724 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620469 856626638 /nfs/dbraw/zinc/62/66/38/856626638.db2.gz GQNAFHGQDNRQIK-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620469 856626642 /nfs/dbraw/zinc/62/66/42/856626642.db2.gz GQNAFHGQDNRQIK-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620469 856626648 /nfs/dbraw/zinc/62/66/48/856626648.db2.gz GQNAFHGQDNRQIK-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620469 856626650 /nfs/dbraw/zinc/62/66/50/856626650.db2.gz GQNAFHGQDNRQIK-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647977 856637628 /nfs/dbraw/zinc/63/76/28/856637628.db2.gz IMOAGOHHWFOPJM-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647977 856637633 /nfs/dbraw/zinc/63/76/33/856637633.db2.gz IMOAGOHHWFOPJM-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647977 856637638 /nfs/dbraw/zinc/63/76/38/856637638.db2.gz IMOAGOHHWFOPJM-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647977 856637643 /nfs/dbraw/zinc/63/76/43/856637643.db2.gz IMOAGOHHWFOPJM-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221768269 856677520 /nfs/dbraw/zinc/67/75/20/856677520.db2.gz GXNZRYZMSWOWKQ-GDBMZVCRSA-N 2 2 351.447 0.496 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221768269 856677530 /nfs/dbraw/zinc/67/75/30/856677530.db2.gz GXNZRYZMSWOWKQ-GDBMZVCRSA-N 2 2 351.447 0.496 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[N@H+](CCCF)C[C@H]21 ZINC001221786351 856682422 /nfs/dbraw/zinc/68/24/22/856682422.db2.gz RKGALTRISRGKHP-VNQPRFMTSA-N 2 2 351.426 0.349 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[N@@H+](CCCF)C[C@H]21 ZINC001221786351 856682426 /nfs/dbraw/zinc/68/24/26/856682426.db2.gz RKGALTRISRGKHP-VNQPRFMTSA-N 2 2 351.426 0.349 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[N@H+](CCCF)C[C@H]21 ZINC001221786351 856682428 /nfs/dbraw/zinc/68/24/28/856682428.db2.gz RKGALTRISRGKHP-VNQPRFMTSA-N 2 2 351.426 0.349 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[N@@H+](CCCF)C[C@H]21 ZINC001221786351 856682431 /nfs/dbraw/zinc/68/24/31/856682431.db2.gz RKGALTRISRGKHP-VNQPRFMTSA-N 2 2 351.426 0.349 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946881 856742718 /nfs/dbraw/zinc/74/27/18/856742718.db2.gz HFFUJNKCIXOSJS-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946881 856742719 /nfs/dbraw/zinc/74/27/19/856742719.db2.gz HFFUJNKCIXOSJS-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945671 856742940 /nfs/dbraw/zinc/74/29/40/856742940.db2.gz WAPWBUHQXLLIKH-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945671 856742951 /nfs/dbraw/zinc/74/29/51/856742951.db2.gz WAPWBUHQXLLIKH-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945671 856742960 /nfs/dbraw/zinc/74/29/60/856742960.db2.gz WAPWBUHQXLLIKH-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945671 856742969 /nfs/dbraw/zinc/74/29/69/856742969.db2.gz WAPWBUHQXLLIKH-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018147 856767902 /nfs/dbraw/zinc/76/79/02/856767902.db2.gz PFWKBBSIFQDAIO-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018147 856767914 /nfs/dbraw/zinc/76/79/14/856767914.db2.gz PFWKBBSIFQDAIO-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223165634 856898577 /nfs/dbraw/zinc/89/85/77/856898577.db2.gz LYUWNTIZBQJKNH-CVEARBPZSA-N 2 2 350.463 0.284 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223165634 856898590 /nfs/dbraw/zinc/89/85/90/856898590.db2.gz LYUWNTIZBQJKNH-CVEARBPZSA-N 2 2 350.463 0.284 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911289 856951244 /nfs/dbraw/zinc/95/12/44/856951244.db2.gz CPYKHIHGMJFFQW-WBVHZDCISA-N 2 2 350.463 0.548 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911289 856951248 /nfs/dbraw/zinc/95/12/48/856951248.db2.gz CPYKHIHGMJFFQW-WBVHZDCISA-N 2 2 350.463 0.548 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)CS(C)(=O)=O ZINC001224306471 856977181 /nfs/dbraw/zinc/97/71/81/856977181.db2.gz KHHNTXHTLBDXPY-OAGGEKHMSA-N 2 2 368.503 0.487 20 0 FCADLP C[C@H](C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21)CS(C)(=O)=O ZINC001224306471 856977183 /nfs/dbraw/zinc/97/71/83/856977183.db2.gz KHHNTXHTLBDXPY-OAGGEKHMSA-N 2 2 368.503 0.487 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1)[NH+](CC)CC ZINC001228559267 857215564 /nfs/dbraw/zinc/21/55/64/857215564.db2.gz OTQVREVFJVEKGD-RBSFLKMASA-N 2 2 351.499 0.848 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344383 857327319 /nfs/dbraw/zinc/32/73/19/857327319.db2.gz SALGSOAFWPHYPW-HUUCEWRRSA-N 2 2 356.492 0.725 20 0 FCADLP CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230347672 857327636 /nfs/dbraw/zinc/32/76/36/857327636.db2.gz GUVMVORWJWPUID-HUUCEWRRSA-N 2 2 368.503 0.725 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352916 857328933 /nfs/dbraw/zinc/32/89/33/857328933.db2.gz UYTLVTHKIDDCFP-HUUCEWRRSA-N 2 2 356.492 0.725 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@H+](CCCC[NH3+])C2 ZINC001235555242 857427230 /nfs/dbraw/zinc/42/72/30/857427230.db2.gz QSASSKCEXLPJGM-MRXNPFEDSA-N 3 2 351.495 0.407 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@@H+](CCCC[NH3+])C2 ZINC001235555242 857427237 /nfs/dbraw/zinc/42/72/37/857427237.db2.gz QSASSKCEXLPJGM-MRXNPFEDSA-N 3 2 351.495 0.407 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235723031 857431349 /nfs/dbraw/zinc/43/13/49/857431349.db2.gz NZLZYRUBKXVCPW-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235723031 857431351 /nfs/dbraw/zinc/43/13/51/857431351.db2.gz NZLZYRUBKXVCPW-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235723031 857431353 /nfs/dbraw/zinc/43/13/53/857431353.db2.gz NZLZYRUBKXVCPW-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235723031 857431356 /nfs/dbraw/zinc/43/13/56/857431356.db2.gz NZLZYRUBKXVCPW-BZUAXINKSA-N 2 2 354.495 0.107 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)o1 ZINC001236593318 857441577 /nfs/dbraw/zinc/44/15/77/857441577.db2.gz QNIIULFBCZHCGV-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)o1 ZINC001236593318 857441594 /nfs/dbraw/zinc/44/15/94/857441594.db2.gz QNIIULFBCZHCGV-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)o1 ZINC001236593318 857441598 /nfs/dbraw/zinc/44/15/98/857441598.db2.gz QNIIULFBCZHCGV-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP Cc1nc(C)c(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)o1 ZINC001236593318 857441602 /nfs/dbraw/zinc/44/16/02/857441602.db2.gz QNIIULFBCZHCGV-NVXWUHKLSA-N 2 2 350.463 0.902 20 0 FCADLP COC(=O)c1ccccc1C[NH+]1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001238807148 857480449 /nfs/dbraw/zinc/48/04/49/857480449.db2.gz CSLWXOBCXDGNES-UHFFFAOYSA-N 2 2 355.460 0.316 20 0 FCADLP O=C([C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246259118 857572980 /nfs/dbraw/zinc/57/29/80/857572980.db2.gz ZGDRTCMEUNUWOF-KFWWJZLASA-N 3 2 354.520 0.141 20 0 FCADLP CCOC(=O)CCC(CCC(=O)OCC)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645385 857587548 /nfs/dbraw/zinc/58/75/48/857587548.db2.gz UXGCSTWZHPQKSE-GOSISDBHSA-N 2 2 355.479 0.679 20 0 FCADLP CCOC(=O)CCC(CCC(=O)OCC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645385 857587555 /nfs/dbraw/zinc/58/75/55/857587555.db2.gz UXGCSTWZHPQKSE-GOSISDBHSA-N 2 2 355.479 0.679 20 0 FCADLP C[C@H]1C[C@H]([N@@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703379 857592441 /nfs/dbraw/zinc/59/24/41/857592441.db2.gz IVKUICUWTHSHJQ-HTBDUDNFSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@H]1C[C@H]([N@H+]2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC[NH2+]1 ZINC001246703379 857592444 /nfs/dbraw/zinc/59/24/44/857592444.db2.gz IVKUICUWTHSHJQ-HTBDUDNFSA-N 2 2 351.491 0.998 20 0 FCADLP C[NH+]1CCC(CO)([NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001250955619 857670603 /nfs/dbraw/zinc/67/06/03/857670603.db2.gz MQUQWVNKPRQNMP-UHFFFAOYSA-N 2 2 357.495 0.795 20 0 FCADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014043 857680592 /nfs/dbraw/zinc/68/05/92/857680592.db2.gz MWRJXXMYJPFZLF-OALUTQOASA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014043 857680597 /nfs/dbraw/zinc/68/05/97/857680597.db2.gz MWRJXXMYJPFZLF-OALUTQOASA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014043 857680601 /nfs/dbraw/zinc/68/06/01/857680601.db2.gz MWRJXXMYJPFZLF-OALUTQOASA-N 2 2 355.523 0.502 20 0 FCADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)C1 ZINC001251014043 857680606 /nfs/dbraw/zinc/68/06/06/857680606.db2.gz MWRJXXMYJPFZLF-OALUTQOASA-N 2 2 355.523 0.502 20 0 FCADLP C[NH+](C)Cc1nc(CSCC[NH2+]C[C@H](O)CN2CCOCC2)cs1 ZINC001251036353 857688145 /nfs/dbraw/zinc/68/81/45/857688145.db2.gz GWLWSBUZGQBIPE-HNNXBMFYSA-N 2 2 374.576 0.721 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252023924 857776273 /nfs/dbraw/zinc/77/62/73/857776273.db2.gz JELREGODEGVFIY-INIZCTEOSA-N 2 2 352.479 0.687 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001252023924 857776279 /nfs/dbraw/zinc/77/62/79/857776279.db2.gz JELREGODEGVFIY-INIZCTEOSA-N 2 2 352.479 0.687 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001252023924 857776288 /nfs/dbraw/zinc/77/62/88/857776288.db2.gz JELREGODEGVFIY-INIZCTEOSA-N 2 2 352.479 0.687 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001252023924 857776290 /nfs/dbraw/zinc/77/62/90/857776290.db2.gz JELREGODEGVFIY-INIZCTEOSA-N 2 2 352.479 0.687 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001253184267 857869034 /nfs/dbraw/zinc/86/90/34/857869034.db2.gz CXEMSAXDKGQDIW-BQFCYCMXSA-N 2 2 357.495 0.075 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001253184267 857869042 /nfs/dbraw/zinc/86/90/42/857869042.db2.gz CXEMSAXDKGQDIW-BQFCYCMXSA-N 2 2 357.495 0.075 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616753 862982123 /nfs/dbraw/zinc/98/21/23/862982123.db2.gz HBIDAUHGMZRKDI-MRXNPFEDSA-N 2 2 353.492 0.588 20 0 FCADLP CN(C)S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001279616753 862982129 /nfs/dbraw/zinc/98/21/29/862982129.db2.gz HBIDAUHGMZRKDI-MRXNPFEDSA-N 2 2 353.492 0.588 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C[C@H]1C(=O)OC ZINC001257749898 858159733 /nfs/dbraw/zinc/15/97/33/858159733.db2.gz UCGHRFPFQHTXJB-FVQBIDKESA-N 2 2 353.463 0.049 20 0 FCADLP COCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[NH2+]CC1 ZINC001261456929 858553716 /nfs/dbraw/zinc/55/37/16/858553716.db2.gz QITLCGOLVBTDRO-UHFFFAOYSA-N 3 2 352.523 0.677 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H]1CC[NH3+] ZINC001262565716 859002247 /nfs/dbraw/zinc/00/22/47/859002247.db2.gz UZJZOPYERBRHJY-INMHGKMJSA-N 2 2 356.536 0.821 20 0 FCADLP CC(C)NC(=O)NCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267217772 859500758 /nfs/dbraw/zinc/50/07/58/859500758.db2.gz PKAHNTUHUPDUCE-ZIAGYGMSSA-N 2 2 350.467 0.279 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267217772 859500763 /nfs/dbraw/zinc/50/07/63/859500763.db2.gz PKAHNTUHUPDUCE-ZIAGYGMSSA-N 2 2 350.467 0.279 20 0 FCADLP CC(C)CC[NH+]1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275093519 860931130 /nfs/dbraw/zinc/93/11/30/860931130.db2.gz NYWDYYRSKKPOQK-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP COC(=O)CCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275131034 860941066 /nfs/dbraw/zinc/94/10/66/860941066.db2.gz BNHDTKUGORSGGP-KRWDZBQOSA-N 2 2 350.419 0.177 20 0 FCADLP COC(=O)CCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275131034 860941076 /nfs/dbraw/zinc/94/10/76/860941076.db2.gz BNHDTKUGORSGGP-KRWDZBQOSA-N 2 2 350.419 0.177 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001275172391 860977083 /nfs/dbraw/zinc/97/70/83/860977083.db2.gz WGFYJJAVQLLAGA-OWCLPIDISA-N 2 2 363.531 0.730 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001275172391 860977092 /nfs/dbraw/zinc/97/70/92/860977092.db2.gz WGFYJJAVQLLAGA-OWCLPIDISA-N 2 2 363.531 0.730 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001275172391 860977109 /nfs/dbraw/zinc/97/71/09/860977109.db2.gz WGFYJJAVQLLAGA-OWCLPIDISA-N 2 2 363.531 0.730 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001275172391 860977126 /nfs/dbraw/zinc/97/71/26/860977126.db2.gz WGFYJJAVQLLAGA-OWCLPIDISA-N 2 2 363.531 0.730 20 0 FCADLP Nc1ncc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)s1 ZINC001275734101 861175924 /nfs/dbraw/zinc/17/59/24/861175924.db2.gz WRRCUUHVGNHTQK-INIZCTEOSA-N 2 2 362.459 0.425 20 0 FCADLP Nc1ncc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)s1 ZINC001275734101 861175932 /nfs/dbraw/zinc/17/59/32/861175932.db2.gz WRRCUUHVGNHTQK-INIZCTEOSA-N 2 2 362.459 0.425 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCSC23C[NH+](Cc2cncnc2)C3)CC1 ZINC001279972675 863160609 /nfs/dbraw/zinc/16/06/09/863160609.db2.gz SQVNCSVMQFPVJB-MRXNPFEDSA-N 2 2 361.515 0.995 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)C23CC([NH2+]Cc4csnn4)(C2)C3)cn1 ZINC001280050432 863219377 /nfs/dbraw/zinc/21/93/77/863219377.db2.gz QQCWEYZNPRSXDK-UHFFFAOYSA-N 2 2 361.475 0.947 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262372 863368416 /nfs/dbraw/zinc/36/84/16/863368416.db2.gz ZIPQXBBRZROALX-HZPDHXFCSA-N 2 2 371.547 0.591 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@@H]3C(=O)NCCS(C)(=O)=O)CC2)C1 ZINC001280262372 863368423 /nfs/dbraw/zinc/36/84/23/863368423.db2.gz ZIPQXBBRZROALX-HZPDHXFCSA-N 2 2 371.547 0.591 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC001349881668 866469988 /nfs/dbraw/zinc/46/99/88/866469988.db2.gz QJWRJLYREOUITH-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)N1CC[NH+](C)CC1 ZINC001349881668 866469995 /nfs/dbraw/zinc/46/99/95/866469995.db2.gz QJWRJLYREOUITH-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001351129562 866787653 /nfs/dbraw/zinc/78/76/53/866787653.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001351129562 866787662 /nfs/dbraw/zinc/78/76/62/866787662.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351129562 866787673 /nfs/dbraw/zinc/78/76/73/866787673.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001351129562 866787684 /nfs/dbraw/zinc/78/76/84/866787684.db2.gz KYMQADDWNWLVFX-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCO1 ZINC001353311144 867392884 /nfs/dbraw/zinc/39/28/84/867392884.db2.gz NVIYIOCNYRNUMH-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCO1 ZINC001353311144 867392903 /nfs/dbraw/zinc/39/29/03/867392903.db2.gz NVIYIOCNYRNUMH-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)CN1CC[NH+]1CCOCC1 ZINC001356610969 868033786 /nfs/dbraw/zinc/03/37/86/868033786.db2.gz XTZVCOXTKPDFAK-IRXDYDNUSA-N 2 2 351.422 0.382 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC001320057058 868071968 /nfs/dbraw/zinc/07/19/68/868071968.db2.gz HORBTDQUJAFGTP-LBPRGKRZSA-N 2 2 365.865 0.732 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC001320057058 868071974 /nfs/dbraw/zinc/07/19/74/868071974.db2.gz HORBTDQUJAFGTP-LBPRGKRZSA-N 2 2 365.865 0.732 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC001322576225 868865952 /nfs/dbraw/zinc/86/59/52/868865952.db2.gz RPDJZNXTKOGEOQ-HUUCEWRRSA-N 2 2 350.507 0.776 20 0 FCADLP CC(=O)N1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322746805 868929261 /nfs/dbraw/zinc/92/92/61/868929261.db2.gz IXTXWAVJFPVJQD-GOSISDBHSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322746805 868929270 /nfs/dbraw/zinc/92/92/70/868929270.db2.gz IXTXWAVJFPVJQD-GOSISDBHSA-N 2 2 350.507 0.872 20 0 FCADLP COC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323664971 869300647 /nfs/dbraw/zinc/30/06/47/869300647.db2.gz PVUQIYOBABXGKH-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP COC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323664971 869300655 /nfs/dbraw/zinc/30/06/55/869300655.db2.gz PVUQIYOBABXGKH-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001324387643 869567381 /nfs/dbraw/zinc/56/73/81/869567381.db2.gz UJSLSYCZFGPNNY-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC001324387643 869567387 /nfs/dbraw/zinc/56/73/87/869567387.db2.gz UJSLSYCZFGPNNY-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001324779002 869673885 /nfs/dbraw/zinc/67/38/85/869673885.db2.gz LMFLLOSFSABTAK-UHFFFAOYSA-N 2 2 351.451 0.266 20 0 FCADLP CCN(CC1CCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326623886 870416813 /nfs/dbraw/zinc/41/68/13/870416813.db2.gz OPMIFLGSIUDZJC-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC1CCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326623886 870416825 /nfs/dbraw/zinc/41/68/25/870416825.db2.gz OPMIFLGSIUDZJC-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001326748887 870481705 /nfs/dbraw/zinc/48/17/05/870481705.db2.gz JEBGCIAMNGXOHN-YVSFHVDLSA-N 2 2 356.511 0.846 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001326748887 870481720 /nfs/dbraw/zinc/48/17/20/870481720.db2.gz JEBGCIAMNGXOHN-YVSFHVDLSA-N 2 2 356.511 0.846 20 0 FCADLP CS(=O)(=O)c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001327958786 871157457 /nfs/dbraw/zinc/15/74/57/871157457.db2.gz ZOZHVBAJTCJRRC-SJLPKXTDSA-N 2 2 368.499 0.966 20 0 FCADLP Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)C[C@@H]2CSCC[NH2+]2)cc[nH+]1 ZINC001346238522 871722612 /nfs/dbraw/zinc/72/26/12/871722612.db2.gz DDMHTZAXWYOJGX-HZSPNIEDSA-N 2 2 351.476 0.566 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC001346570174 871911209 /nfs/dbraw/zinc/91/12/09/871911209.db2.gz PMVMTCWQLWGKOX-IRXDYDNUSA-N 3 2 353.511 0.337 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765765 871989996 /nfs/dbraw/zinc/98/99/96/871989996.db2.gz CFYUKZRNBMEMQA-VVLHAWIVSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765765 871990006 /nfs/dbraw/zinc/99/00/06/871990006.db2.gz CFYUKZRNBMEMQA-VVLHAWIVSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)C[C@@H]1C ZINC001346765765 871990029 /nfs/dbraw/zinc/99/00/29/871990029.db2.gz CFYUKZRNBMEMQA-VVLHAWIVSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346763506 871990066 /nfs/dbraw/zinc/99/00/66/871990066.db2.gz UIVKXZUTBOPVOC-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346763506 871990075 /nfs/dbraw/zinc/99/00/75/871990075.db2.gz UIVKXZUTBOPVOC-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056815 872138309 /nfs/dbraw/zinc/13/83/09/872138309.db2.gz TZSCJZJRMILKDF-DOTOQJQBSA-N 2 2 363.531 0.996 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001347056815 872138312 /nfs/dbraw/zinc/13/83/12/872138312.db2.gz TZSCJZJRMILKDF-DOTOQJQBSA-N 2 2 363.531 0.996 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001347184053 872205999 /nfs/dbraw/zinc/20/59/99/872205999.db2.gz DMZUZHDPRQTXCB-HOTGVXAUSA-N 2 2 355.527 0.373 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347184053 872206010 /nfs/dbraw/zinc/20/60/10/872206010.db2.gz DMZUZHDPRQTXCB-HOTGVXAUSA-N 2 2 355.527 0.373 20 0 FCADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC001331848328 873272778 /nfs/dbraw/zinc/27/27/78/873272778.db2.gz YKOPBSPINVNLJY-CVEARBPZSA-N 2 2 362.455 0.517 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC001333421941 873948484 /nfs/dbraw/zinc/94/84/84/873948484.db2.gz FFZWMNZOABAWKG-CYBMUJFWSA-N 2 2 354.401 0.602 20 0 FCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921534 948928740 /nfs/dbraw/zinc/92/87/40/948928740.db2.gz ZQWHCUDEBUDBDG-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926048 948984299 /nfs/dbraw/zinc/98/42/99/948984299.db2.gz HBIMLJLVZIONBB-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926048 948984319 /nfs/dbraw/zinc/98/43/19/948984319.db2.gz HBIMLJLVZIONBB-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574944902 949405505 /nfs/dbraw/zinc/40/55/05/949405505.db2.gz IJQKARWOWXVZBL-LBPRGKRZSA-N 2 2 354.418 0.437 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574948288 949459432 /nfs/dbraw/zinc/45/94/32/949459432.db2.gz HOFIDDNUSPJCIB-NSHDSACASA-N 2 2 358.381 0.497 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948435 949464545 /nfs/dbraw/zinc/46/45/45/949464545.db2.gz IYPJQBMMOLFPFO-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574948435 949464557 /nfs/dbraw/zinc/46/45/57/949464557.db2.gz IYPJQBMMOLFPFO-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP CC(C)(C)[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001573819252 949751432 /nfs/dbraw/zinc/75/14/32/949751432.db2.gz RORAYIJFAKARDC-OAHLLOKOSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574732943 950083617 /nfs/dbraw/zinc/08/36/17/950083617.db2.gz NIHHEDDHFCSODL-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574157797 950256113 /nfs/dbraw/zinc/25/61/13/950256113.db2.gz IVDQPTRRGTULCF-CZUORRHYSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574157797 950256120 /nfs/dbraw/zinc/25/61/20/950256120.db2.gz IVDQPTRRGTULCF-CZUORRHYSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001574159233 950295738 /nfs/dbraw/zinc/29/57/38/950295738.db2.gz UMTGESOXBFLLHA-CQSZACIVSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575906636 950318969 /nfs/dbraw/zinc/31/89/69/950318969.db2.gz KCPFTQWFRGQOCB-BBRMVZONSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575910398 950417355 /nfs/dbraw/zinc/41/73/55/950417355.db2.gz KTDYULSXBLGSQV-CZUORRHYSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576205325 950508801 /nfs/dbraw/zinc/50/88/01/950508801.db2.gz XGHACIWMEGKFMK-QWHCGFSZSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576205325 950508815 /nfs/dbraw/zinc/50/88/15/950508815.db2.gz XGHACIWMEGKFMK-QWHCGFSZSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@H](CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001571033518 951580563 /nfs/dbraw/zinc/58/05/63/951580563.db2.gz YCHAQTWELXEANX-CYBMUJFWSA-N 2 2 367.417 0.758 20 0 FCADLP Cc1cc(N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571037195 951620769 /nfs/dbraw/zinc/62/07/69/951620769.db2.gz HEKNWXQIERJCKB-CYBMUJFWSA-N 2 2 367.417 0.573 20 0 FCADLP Cc1cc(N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039158 951653213 /nfs/dbraw/zinc/65/32/13/951653213.db2.gz YNEJTWCTJHRDID-CYBMUJFWSA-N 2 2 367.417 0.292 20 0 FCADLP O=C(N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C12CC[NH+](CC1)C2 ZINC001571040246 951666595 /nfs/dbraw/zinc/66/65/95/951666595.db2.gz PPHZLCCCZYDAPE-UHFFFAOYSA-N 2 2 367.457 0.607 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575091725 951781602 /nfs/dbraw/zinc/78/16/02/951781602.db2.gz WVTHCAMFERHRRR-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575105151 951889984 /nfs/dbraw/zinc/88/99/84/951889984.db2.gz HCSHSYJAPWEEFW-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575109288 951930452 /nfs/dbraw/zinc/93/04/52/951930452.db2.gz RJHKFVMCHSVDCY-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001575143938 952160205 /nfs/dbraw/zinc/16/02/05/952160205.db2.gz DUEIOMLDCJLLDT-GOSISDBHSA-N 2 2 370.461 0.476 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2COc3ccccc3[C@H]2O)CC1 ZINC000293115593 214146669 /nfs/dbraw/zinc/14/66/69/214146669.db2.gz VBEYBVPJXQZWRX-FUHWJXTLSA-N 2 2 362.474 0.806 20 0 FCADLP Cn1ncc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)n1 ZINC000293684595 214193466 /nfs/dbraw/zinc/19/34/66/214193466.db2.gz VWNDCJLTOXCYHA-UHFFFAOYSA-N 2 2 358.446 0.766 20 0 FCADLP C[NH+](C)CCn1nccc1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000294143870 214227316 /nfs/dbraw/zinc/22/73/16/214227316.db2.gz GUYCUSAHXRICDJ-UHFFFAOYSA-N 2 2 373.461 0.998 20 0 FCADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410546227 529970554 /nfs/dbraw/zinc/97/05/54/529970554.db2.gz LZTAFWGYYRZUPW-GOSISDBHSA-N 2 2 358.486 0.741 20 0 FCADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410546227 529970555 /nfs/dbraw/zinc/97/05/55/529970555.db2.gz LZTAFWGYYRZUPW-GOSISDBHSA-N 2 2 358.486 0.741 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000163235158 530035949 /nfs/dbraw/zinc/03/59/49/530035949.db2.gz OPUJMSQMFHJVOU-CYBMUJFWSA-N 2 2 354.476 0.019 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528674 215009858 /nfs/dbraw/zinc/00/98/58/215009858.db2.gz ONEFSMAJYXLXOD-NXOAAHMSSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528674 215009859 /nfs/dbraw/zinc/00/98/59/215009859.db2.gz ONEFSMAJYXLXOD-NXOAAHMSSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528674 215009862 /nfs/dbraw/zinc/00/98/62/215009862.db2.gz ONEFSMAJYXLXOD-NXOAAHMSSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@H](C)O1 ZINC000331528674 215009865 /nfs/dbraw/zinc/00/98/65/215009865.db2.gz ONEFSMAJYXLXOD-NXOAAHMSSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000331671980 215032331 /nfs/dbraw/zinc/03/23/31/215032331.db2.gz ZSISQEOYCQMAFT-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000331671980 215032334 /nfs/dbraw/zinc/03/23/34/215032334.db2.gz ZSISQEOYCQMAFT-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000331671980 215032336 /nfs/dbraw/zinc/03/23/36/215032336.db2.gz ZSISQEOYCQMAFT-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000331671980 215032340 /nfs/dbraw/zinc/03/23/40/215032340.db2.gz ZSISQEOYCQMAFT-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331816420 215050911 /nfs/dbraw/zinc/05/09/11/215050911.db2.gz GKQJBTOZJSLUIM-HOTGVXAUSA-N 2 2 353.488 0.474 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331816420 215050914 /nfs/dbraw/zinc/05/09/14/215050914.db2.gz GKQJBTOZJSLUIM-HOTGVXAUSA-N 2 2 353.488 0.474 20 0 FCADLP C[C@H]1OCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000332018935 215079823 /nfs/dbraw/zinc/07/98/23/215079823.db2.gz FJGHNTLPJMOAAL-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000332065602 215086237 /nfs/dbraw/zinc/08/62/37/215086237.db2.gz RTQGLAJUWIAJDC-IRXDYDNUSA-N 2 2 366.506 0.035 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000332076360 215087075 /nfs/dbraw/zinc/08/70/75/215087075.db2.gz YSBZIXTUKPTCRX-UONOGXRCSA-N 2 2 374.489 0.387 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(S(C)(=O)=O)o3)CC2)CC1 ZINC000332135510 215099135 /nfs/dbraw/zinc/09/91/35/215099135.db2.gz LWDKYMBKSLSXKR-UHFFFAOYSA-N 2 2 369.487 0.972 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000332141994 215100344 /nfs/dbraw/zinc/10/03/44/215100344.db2.gz NOTOXORWQMBVEC-CQSZACIVSA-N 2 2 360.462 0.117 20 0 FCADLP COc1ncnc(OC)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000264870978 210003403 /nfs/dbraw/zinc/00/34/03/210003403.db2.gz GRESOOVICCXJFY-UHFFFAOYSA-N 2 2 351.451 0.592 20 0 FCADLP COc1ncnc(OC)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000264870978 210003407 /nfs/dbraw/zinc/00/34/07/210003407.db2.gz GRESOOVICCXJFY-UHFFFAOYSA-N 2 2 351.451 0.592 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000287109022 213586683 /nfs/dbraw/zinc/58/66/83/213586683.db2.gz JRYCOGXWFTWDII-BZUAXINKSA-N 2 2 359.474 0.766 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332368718 215137582 /nfs/dbraw/zinc/13/75/82/215137582.db2.gz UURPVIAGTULJQP-NCOADZHNSA-N 2 2 366.506 0.155 20 0 FCADLP CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000332451790 215153761 /nfs/dbraw/zinc/15/37/61/215153761.db2.gz FWTIEDYSYLFYCQ-INIZCTEOSA-N 2 2 364.515 0.993 20 0 FCADLP CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000332451790 215153764 /nfs/dbraw/zinc/15/37/64/215153764.db2.gz FWTIEDYSYLFYCQ-INIZCTEOSA-N 2 2 364.515 0.993 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000332560001 215179263 /nfs/dbraw/zinc/17/92/63/215179263.db2.gz UOZDEZZHJFPQLJ-HNNXBMFYSA-N 2 2 374.489 0.377 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000332611215 215188982 /nfs/dbraw/zinc/18/89/82/215188982.db2.gz BWCYMGYPXCDZQY-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000332845313 215213974 /nfs/dbraw/zinc/21/39/74/215213974.db2.gz GUHURVVDAUBDNC-IKGGRYGDSA-N 2 2 354.495 0.602 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333065406 215230864 /nfs/dbraw/zinc/23/08/64/215230864.db2.gz JHNSNALRUGCWTJ-UHFFFAOYSA-N 2 2 373.505 0.978 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333065406 215230867 /nfs/dbraw/zinc/23/08/67/215230867.db2.gz JHNSNALRUGCWTJ-UHFFFAOYSA-N 2 2 373.505 0.978 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333142979 215240750 /nfs/dbraw/zinc/24/07/50/215240750.db2.gz KQGFMRWEORUKBC-BPQIPLTHSA-N 2 2 368.522 0.726 20 0 FCADLP CN1C(=O)NCC12CC[NH+](Cc1cnc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000333383084 215274088 /nfs/dbraw/zinc/27/40/88/215274088.db2.gz KUOMHTSTQQNUOK-UHFFFAOYSA-N 2 2 359.478 0.218 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc[nH+]1 ZINC000333442244 215282570 /nfs/dbraw/zinc/28/25/70/215282570.db2.gz WHAREIFTUZNFQS-ZNMIVQPWSA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH+]cn1 ZINC000333442244 215282571 /nfs/dbraw/zinc/28/25/71/215282571.db2.gz WHAREIFTUZNFQS-ZNMIVQPWSA-N 2 2 359.478 0.881 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000333609853 215300715 /nfs/dbraw/zinc/30/07/15/215300715.db2.gz GNWCAKCBBRRWGP-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000333609853 215300718 /nfs/dbraw/zinc/30/07/18/215300718.db2.gz GNWCAKCBBRRWGP-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333757176 215316226 /nfs/dbraw/zinc/31/62/26/215316226.db2.gz ZZJLQEUFQCBBEF-HOTGVXAUSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333835781 215322877 /nfs/dbraw/zinc/32/28/77/215322877.db2.gz NKYDVDGNLQHMMN-JKSUJKDBSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333834383 215323348 /nfs/dbraw/zinc/32/33/48/215323348.db2.gz NBGQYLOCQDVNAC-BZUAXINKSA-N 2 2 351.495 0.323 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334018431 215337210 /nfs/dbraw/zinc/33/72/10/215337210.db2.gz BJYVOMKRHRHOLQ-ALOPSCKCSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334018431 215337213 /nfs/dbraw/zinc/33/72/13/215337213.db2.gz BJYVOMKRHRHOLQ-ALOPSCKCSA-N 2 2 365.522 0.807 20 0 FCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000334064229 215339241 /nfs/dbraw/zinc/33/92/41/215339241.db2.gz CMAFKCFGPZFNSQ-LSDHHAIUSA-N 2 2 362.478 0.912 20 0 FCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000334064229 215339242 /nfs/dbraw/zinc/33/92/42/215339242.db2.gz CMAFKCFGPZFNSQ-LSDHHAIUSA-N 2 2 362.478 0.912 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000334117804 215345982 /nfs/dbraw/zinc/34/59/82/215345982.db2.gz IQVAZELIBRUGJA-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000334117803 215346359 /nfs/dbraw/zinc/34/63/59/215346359.db2.gz IQVAZELIBRUGJA-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](C(N)=O)C3)CC2)cc1 ZINC000285686487 213377500 /nfs/dbraw/zinc/37/75/00/213377500.db2.gz APNGRGYWUYUUHS-CRAIPNDOSA-N 2 2 374.485 0.393 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](C(N)=O)C3)CC2)cc1 ZINC000285686487 213377505 /nfs/dbraw/zinc/37/75/05/213377505.db2.gz APNGRGYWUYUUHS-CRAIPNDOSA-N 2 2 374.485 0.393 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000285576625 213361918 /nfs/dbraw/zinc/36/19/18/213361918.db2.gz RUXDJFBWYHBBGI-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000285576625 213361921 /nfs/dbraw/zinc/36/19/21/213361921.db2.gz RUXDJFBWYHBBGI-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP CCOC(=O)N1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000361235150 215386225 /nfs/dbraw/zinc/38/62/25/215386225.db2.gz XPDYYLMWFKMSCV-UHFFFAOYSA-N 2 2 369.510 0.886 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000285173760 213296904 /nfs/dbraw/zinc/29/69/04/213296904.db2.gz PWMSWEMWJWWMMA-UHFFFAOYSA-N 2 2 373.457 0.525 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000284715166 213204485 /nfs/dbraw/zinc/20/44/85/213204485.db2.gz XTYKNIBPCRRQTP-HNNXBMFYSA-N 2 2 361.421 0.937 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284642095 213187769 /nfs/dbraw/zinc/18/77/69/213187769.db2.gz ZJTAYHNLCGLZMP-KRWDZBQOSA-N 2 2 362.474 0.024 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284642095 213187774 /nfs/dbraw/zinc/18/77/74/213187774.db2.gz ZJTAYHNLCGLZMP-KRWDZBQOSA-N 2 2 362.474 0.024 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c[nH+]1 ZINC000284635868 213185086 /nfs/dbraw/zinc/18/50/86/213185086.db2.gz RQQSPPMKQUJXBG-HOTGVXAUSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c[nH+]1 ZINC000284635868 213185090 /nfs/dbraw/zinc/18/50/90/213185090.db2.gz RQQSPPMKQUJXBG-HOTGVXAUSA-N 2 2 359.474 0.707 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000284535811 213163574 /nfs/dbraw/zinc/16/35/74/213163574.db2.gz UPCAUBNXQDTOAH-KKUMJFAQSA-N 2 2 366.462 0.224 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000284401015 213131050 /nfs/dbraw/zinc/13/10/50/213131050.db2.gz RCHUKKLFSAPEOI-HNNXBMFYSA-N 2 2 361.421 0.785 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000284399840 213130411 /nfs/dbraw/zinc/13/04/11/213130411.db2.gz QNWKPRDMSBCISR-UHFFFAOYSA-N 2 2 369.469 0.984 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353623 213118161 /nfs/dbraw/zinc/11/81/61/213118161.db2.gz SGCFKWLPPOLBHT-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353623 213118165 /nfs/dbraw/zinc/11/81/65/213118165.db2.gz SGCFKWLPPOLBHT-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353630 213117285 /nfs/dbraw/zinc/11/72/85/213117285.db2.gz SGCFKWLPPOLBHT-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000284353630 213117290 /nfs/dbraw/zinc/11/72/90/213117290.db2.gz SGCFKWLPPOLBHT-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000284150687 213086186 /nfs/dbraw/zinc/08/61/86/213086186.db2.gz VVVKRKICYYXCQL-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000284161854 213089159 /nfs/dbraw/zinc/08/91/59/213089159.db2.gz YNDUBETXSTYRHV-HDICACEKSA-N 2 2 367.453 0.590 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000284161854 213089163 /nfs/dbraw/zinc/08/91/63/213089163.db2.gz YNDUBETXSTYRHV-HDICACEKSA-N 2 2 367.453 0.590 20 0 FCADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000284127638 213081322 /nfs/dbraw/zinc/08/13/22/213081322.db2.gz UGQAPANOUJTBNW-QGZVFWFLSA-N 2 2 350.463 0.929 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000284108708 213074869 /nfs/dbraw/zinc/07/48/69/213074869.db2.gz CGYBOCOIEHQPBZ-JKSUJKDBSA-N 2 2 372.473 0.177 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000284108708 213074871 /nfs/dbraw/zinc/07/48/71/213074871.db2.gz CGYBOCOIEHQPBZ-JKSUJKDBSA-N 2 2 372.473 0.177 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000284059262 213065433 /nfs/dbraw/zinc/06/54/33/213065433.db2.gz SIXRCBHCMKMNNN-UHFFFAOYSA-N 2 2 370.457 0.938 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000284071478 213068718 /nfs/dbraw/zinc/06/87/18/213068718.db2.gz SYSQAHVQJOFBKE-AWEZNQCLSA-N 2 2 359.430 0.035 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283845377 213017837 /nfs/dbraw/zinc/01/78/37/213017837.db2.gz BVKYHXFQQXYYFS-INIZCTEOSA-N 2 2 355.442 0.817 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000283845377 213017841 /nfs/dbraw/zinc/01/78/41/213017841.db2.gz BVKYHXFQQXYYFS-INIZCTEOSA-N 2 2 355.442 0.817 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000283757431 213004320 /nfs/dbraw/zinc/00/43/20/213004320.db2.gz AWOLHDBKOQRRMC-LSDHHAIUSA-N 2 2 351.451 0.005 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000283757431 213004324 /nfs/dbraw/zinc/00/43/24/213004324.db2.gz AWOLHDBKOQRRMC-LSDHHAIUSA-N 2 2 351.451 0.005 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000411925658 237106305 /nfs/dbraw/zinc/10/63/05/237106305.db2.gz UAHMMDDSBDRCDT-NEWSRXKRSA-N 2 2 361.486 0.973 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000411925658 237106311 /nfs/dbraw/zinc/10/63/11/237106311.db2.gz UAHMMDDSBDRCDT-NEWSRXKRSA-N 2 2 361.486 0.973 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411949342 237120175 /nfs/dbraw/zinc/12/01/75/237120175.db2.gz VNBPOZBSRXMSKN-MRXNPFEDSA-N 2 2 359.474 0.530 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411949342 237120178 /nfs/dbraw/zinc/12/01/78/237120178.db2.gz VNBPOZBSRXMSKN-MRXNPFEDSA-N 2 2 359.474 0.530 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000413274208 237304710 /nfs/dbraw/zinc/30/47/10/237304710.db2.gz WEKWXRQUKFFJRL-UHFFFAOYSA-N 2 2 360.524 0.024 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000366888346 216046361 /nfs/dbraw/zinc/04/63/61/216046361.db2.gz VBXXDDHLTRPPLF-HZPDHXFCSA-N 2 2 357.458 0.331 20 0 FCADLP O=C(CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000366888346 216046363 /nfs/dbraw/zinc/04/63/63/216046363.db2.gz VBXXDDHLTRPPLF-HZPDHXFCSA-N 2 2 357.458 0.331 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032319 216065398 /nfs/dbraw/zinc/06/53/98/216065398.db2.gz YWLWHGVUXMCORP-WBVHZDCISA-N 2 2 359.474 0.313 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c[nH+]2)CCO1 ZINC000367032319 216065399 /nfs/dbraw/zinc/06/53/99/216065399.db2.gz YWLWHGVUXMCORP-WBVHZDCISA-N 2 2 359.474 0.313 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230910 216094383 /nfs/dbraw/zinc/09/43/83/216094383.db2.gz LFEPFYDXPKGENH-SWLSCSKDSA-N 2 2 365.396 0.966 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230910 216094386 /nfs/dbraw/zinc/09/43/86/216094386.db2.gz LFEPFYDXPKGENH-SWLSCSKDSA-N 2 2 365.396 0.966 20 0 FCADLP CN(C(=O)C(C)(C)N1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367343981 216109882 /nfs/dbraw/zinc/10/98/82/216109882.db2.gz RMQHYSUVFOBCLC-QGZVFWFLSA-N 2 2 352.523 0.724 20 0 FCADLP CN(C(=O)C(C)(C)N1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367343981 216109885 /nfs/dbraw/zinc/10/98/85/216109885.db2.gz RMQHYSUVFOBCLC-QGZVFWFLSA-N 2 2 352.523 0.724 20 0 FCADLP C[C@](O)(CNC(=O)NCc1c[nH+]c2n1CCCC2)C[NH+]1CCOCC1 ZINC000367578234 216139639 /nfs/dbraw/zinc/13/96/39/216139639.db2.gz GIIANTQVNGBSSO-KRWDZBQOSA-N 2 2 351.451 0.102 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000246349328 209384491 /nfs/dbraw/zinc/38/44/91/209384491.db2.gz HPAZSJJCGKIXEJ-NVXWUHKLSA-N 2 2 355.504 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000246349328 209384492 /nfs/dbraw/zinc/38/44/92/209384492.db2.gz HPAZSJJCGKIXEJ-NVXWUHKLSA-N 2 2 355.504 0.943 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000246623683 209392528 /nfs/dbraw/zinc/39/25/28/209392528.db2.gz DGDJBLPAMRCPRA-MOPGFXCFSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000246623683 209392532 /nfs/dbraw/zinc/39/25/32/209392532.db2.gz DGDJBLPAMRCPRA-MOPGFXCFSA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245432030 209368198 /nfs/dbraw/zinc/36/81/98/209368198.db2.gz BBYUCUANIVMYQP-CVEARBPZSA-N 2 2 350.507 0.907 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245432030 209368202 /nfs/dbraw/zinc/36/82/02/209368202.db2.gz BBYUCUANIVMYQP-CVEARBPZSA-N 2 2 350.507 0.907 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CCC[NH2+]1 ZINC000246293881 209383762 /nfs/dbraw/zinc/38/37/62/209383762.db2.gz DJGGFOKHBCBNTA-LSDHHAIUSA-N 2 2 360.462 0.150 20 0 FCADLP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CCC[NH2+]1 ZINC000246293881 209383765 /nfs/dbraw/zinc/38/37/65/209383765.db2.gz DJGGFOKHBCBNTA-LSDHHAIUSA-N 2 2 360.462 0.150 20 0 FCADLP O=C(CC1CC[NH2+]CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000238135729 209363819 /nfs/dbraw/zinc/36/38/19/209363819.db2.gz XMAPERBVQGGUGX-UHFFFAOYSA-N 2 2 359.474 0.626 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246167321 209381454 /nfs/dbraw/zinc/38/14/54/209381454.db2.gz PFKXLWAMFCOKQU-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246167321 209381458 /nfs/dbraw/zinc/38/14/58/209381458.db2.gz PFKXLWAMFCOKQU-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246167321 209381461 /nfs/dbraw/zinc/38/14/61/209381461.db2.gz PFKXLWAMFCOKQU-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246167321 209381464 /nfs/dbraw/zinc/38/14/64/209381464.db2.gz PFKXLWAMFCOKQU-KBPBESRZSA-N 2 2 368.503 0.935 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000245904825 209376933 /nfs/dbraw/zinc/37/69/33/209376933.db2.gz SWRBNDVHUHVADF-ULQDDVLXSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000245904825 209376937 /nfs/dbraw/zinc/37/69/37/209376937.db2.gz SWRBNDVHUHVADF-ULQDDVLXSA-N 2 2 356.511 0.440 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn(CC4(C)COC4)nn3)C2)CC1 ZINC000368282373 216227760 /nfs/dbraw/zinc/22/77/60/216227760.db2.gz FFSATCBOYUTPJY-AWEZNQCLSA-N 2 2 362.478 0.213 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn(CC4(C)COC4)nn3)C2)CC1 ZINC000368282373 216227764 /nfs/dbraw/zinc/22/77/64/216227764.db2.gz FFSATCBOYUTPJY-AWEZNQCLSA-N 2 2 362.478 0.213 20 0 FCADLP [NH3+][C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237814699 209358294 /nfs/dbraw/zinc/35/82/94/209358294.db2.gz UOMKMYYSFYATBR-LJQANCHMSA-N 2 2 367.453 0.937 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237816185 209357533 /nfs/dbraw/zinc/35/75/33/209357533.db2.gz MKRCKLVYCPCZRV-GOOCMWNKSA-N 2 2 369.473 0.933 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237735097 209356630 /nfs/dbraw/zinc/35/66/30/209356630.db2.gz WHYDKODOJKMELV-GFCCVEGCSA-N 2 2 361.475 0.107 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1csc(C[NH3+])n1 ZINC000237675329 209355863 /nfs/dbraw/zinc/35/58/63/209355863.db2.gz KSBAUVCSTCGKRR-CYBMUJFWSA-N 2 2 360.487 0.937 20 0 FCADLP C[C@@]1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000237619317 209355067 /nfs/dbraw/zinc/35/50/67/209355067.db2.gz JGFVKLPSVUQELA-LJQANCHMSA-N 2 2 360.458 0.687 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC000237572144 209354125 /nfs/dbraw/zinc/35/41/25/209354125.db2.gz MMJHBSZXZQZYPB-HUUCEWRRSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237431219 209352308 /nfs/dbraw/zinc/35/23/08/209352308.db2.gz AQZDDANYGHIVOP-SJLPKXTDSA-N 2 2 358.486 0.884 20 0 FCADLP C[C@@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000237362001 209350122 /nfs/dbraw/zinc/35/01/22/209350122.db2.gz NYFJJRHHCUTZEJ-INIZCTEOSA-N 2 2 350.507 0.779 20 0 FCADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000236823767 209344535 /nfs/dbraw/zinc/34/45/35/209344535.db2.gz NLLVBRCWOAYRBR-INIZCTEOSA-N 2 2 350.438 0.827 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1=O ZINC000236616358 209341443 /nfs/dbraw/zinc/34/14/43/209341443.db2.gz DGGDIRRTVUCJEM-ROUUACIJSA-N 2 2 369.469 0.927 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)cc2C1 ZINC000193909546 209320726 /nfs/dbraw/zinc/32/07/26/209320726.db2.gz UJJQWRPRIXCBKU-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)cc2C1 ZINC000193909546 209320728 /nfs/dbraw/zinc/32/07/28/209320728.db2.gz UJJQWRPRIXCBKU-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193918159 209320380 /nfs/dbraw/zinc/32/03/80/209320380.db2.gz ZJUZPKREAONAGN-UHFFFAOYSA-N 2 2 373.501 0.714 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193918159 209320383 /nfs/dbraw/zinc/32/03/83/209320383.db2.gz ZJUZPKREAONAGN-UHFFFAOYSA-N 2 2 373.501 0.714 20 0 FCADLP CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193918159 209320385 /nfs/dbraw/zinc/32/03/85/209320385.db2.gz ZJUZPKREAONAGN-UHFFFAOYSA-N 2 2 373.501 0.714 20 0 FCADLP CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193918159 209320389 /nfs/dbraw/zinc/32/03/89/209320389.db2.gz ZJUZPKREAONAGN-UHFFFAOYSA-N 2 2 373.501 0.714 20 0 FCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000193566825 209315366 /nfs/dbraw/zinc/31/53/66/209315366.db2.gz UBBLIEUJMYXWCN-XJKSGUPXSA-N 2 2 350.488 0.507 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)CC1 ZINC000193579092 209315223 /nfs/dbraw/zinc/31/52/23/209315223.db2.gz YOELDIIDQBFLAA-VQIMIIECSA-N 2 2 358.486 0.753 20 0 FCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000193608560 209314873 /nfs/dbraw/zinc/31/48/73/209314873.db2.gz VSMHMDFZIIWDGC-KBXCAEBGSA-N 2 2 360.458 0.572 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000193446060 209313600 /nfs/dbraw/zinc/31/36/00/209313600.db2.gz KCBAITHAMFDNJM-SFHVURJKSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000193446060 209313603 /nfs/dbraw/zinc/31/36/03/209313603.db2.gz KCBAITHAMFDNJM-SFHVURJKSA-N 2 2 352.523 0.772 20 0 FCADLP CC[NH+](CC)CCN(CCOC)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000192742835 209305501 /nfs/dbraw/zinc/30/55/01/209305501.db2.gz JOMVCMCEVFDKCZ-UHFFFAOYSA-N 2 2 364.494 0.550 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000368636687 216273643 /nfs/dbraw/zinc/27/36/43/216273643.db2.gz VVSYWPKIVZVUFP-BZSNNMDCSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699932 216283668 /nfs/dbraw/zinc/28/36/68/216283668.db2.gz KZQPBXPADLBECA-FUHWJXTLSA-N 2 2 352.523 0.487 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699932 216283670 /nfs/dbraw/zinc/28/36/70/216283670.db2.gz KZQPBXPADLBECA-FUHWJXTLSA-N 2 2 352.523 0.487 20 0 FCADLP CN(C)C(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369264050 216372978 /nfs/dbraw/zinc/37/29/78/216372978.db2.gz AGCGBIHECSZYCH-INIZCTEOSA-N 2 2 365.522 0.665 20 0 FCADLP CN(C)C(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369264050 216372980 /nfs/dbraw/zinc/37/29/80/216372980.db2.gz AGCGBIHECSZYCH-INIZCTEOSA-N 2 2 365.522 0.665 20 0 FCADLP CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273953 216373960 /nfs/dbraw/zinc/37/39/60/216373960.db2.gz LFGGIEWPVWYVQG-AEFFLSMTSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273953 216373961 /nfs/dbraw/zinc/37/39/61/216373961.db2.gz LFGGIEWPVWYVQG-AEFFLSMTSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271631 216374421 /nfs/dbraw/zinc/37/44/21/216374421.db2.gz SEONWIWJFHHZBC-KRWDZBQOSA-N 2 2 361.486 0.850 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(-n4cncn4)c3)C2)CC1 ZINC000369274366 216376514 /nfs/dbraw/zinc/37/65/14/216376514.db2.gz OQFPHIGMRMKLAV-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(-n4cncn4)c3)C2)CC1 ZINC000369274366 216376517 /nfs/dbraw/zinc/37/65/17/216376517.db2.gz OQFPHIGMRMKLAV-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275134 216376924 /nfs/dbraw/zinc/37/69/24/216376924.db2.gz VVFSGGFTRXAUGH-JOQOYGCGSA-N 2 2 366.531 0.725 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275134 216376927 /nfs/dbraw/zinc/37/69/27/216376927.db2.gz VVFSGGFTRXAUGH-JOQOYGCGSA-N 2 2 366.531 0.725 20 0 FCADLP CC(=O)N[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273955 216377505 /nfs/dbraw/zinc/37/75/05/216377505.db2.gz LFGGIEWPVWYVQG-SJLPKXTDSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000369273955 216377507 /nfs/dbraw/zinc/37/75/07/216377507.db2.gz LFGGIEWPVWYVQG-SJLPKXTDSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000369371206 216391053 /nfs/dbraw/zinc/39/10/53/216391053.db2.gz UAJUICHVRDKVNG-MRXNPFEDSA-N 2 2 373.505 0.477 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4ncccn4)CC3)C2)CC1 ZINC000369371206 216391055 /nfs/dbraw/zinc/39/10/55/216391055.db2.gz UAJUICHVRDKVNG-MRXNPFEDSA-N 2 2 373.505 0.477 20 0 FCADLP CC(C)COC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375460 216391890 /nfs/dbraw/zinc/39/18/90/216391890.db2.gz XNCNNKKMTDDCRR-DOTOQJQBSA-N 2 2 356.511 0.488 20 0 FCADLP CC(C)COC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375460 216391893 /nfs/dbraw/zinc/39/18/93/216391893.db2.gz XNCNNKKMTDDCRR-DOTOQJQBSA-N 2 2 356.511 0.488 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000369359808 216390072 /nfs/dbraw/zinc/39/00/72/216390072.db2.gz TVUPQMPJUJDVIT-INIZCTEOSA-N 2 2 356.470 0.994 20 0 FCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000369359808 216390075 /nfs/dbraw/zinc/39/00/75/216390075.db2.gz TVUPQMPJUJDVIT-INIZCTEOSA-N 2 2 356.470 0.994 20 0 FCADLP Cc1nn(C)c(-n2cccn2)c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000190097013 209267653 /nfs/dbraw/zinc/26/76/53/209267653.db2.gz JUQHQLWILWHUKL-UHFFFAOYSA-N 2 2 359.478 0.670 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[NH+](C[C@@H](C)O)CC3)CC2)c1 ZINC000189344838 209248502 /nfs/dbraw/zinc/24/85/02/209248502.db2.gz DMOMXPJISFXSML-LJQANCHMSA-N 2 2 374.529 0.638 20 0 FCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000188763426 209239506 /nfs/dbraw/zinc/23/95/06/209239506.db2.gz JOJYQECIVCBFAL-ZMSDIMECSA-N 2 2 351.422 0.271 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1CC(C)(C)O ZINC000188503302 209231467 /nfs/dbraw/zinc/23/14/67/209231467.db2.gz AHARIPWMNAGHRQ-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1CC(C)(C)O ZINC000188503302 209231471 /nfs/dbraw/zinc/23/14/71/209231471.db2.gz AHARIPWMNAGHRQ-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1CC(C)(C)O ZINC000188503302 209231472 /nfs/dbraw/zinc/23/14/72/209231472.db2.gz AHARIPWMNAGHRQ-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1CC(C)(C)O ZINC000188503302 209231474 /nfs/dbraw/zinc/23/14/74/209231474.db2.gz AHARIPWMNAGHRQ-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP Cn1c(=O)cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n(C)c1=O ZINC000188287901 209228504 /nfs/dbraw/zinc/22/85/04/209228504.db2.gz TYBRTIDLOAUNKP-FQEVSTJZSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1c(=O)cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n(C)c1=O ZINC000188287901 209228505 /nfs/dbraw/zinc/22/85/05/209228505.db2.gz TYBRTIDLOAUNKP-FQEVSTJZSA-N 2 2 372.469 0.153 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188325879 209228665 /nfs/dbraw/zinc/22/86/65/209228665.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 2 363.502 0.248 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188325879 209228669 /nfs/dbraw/zinc/22/86/69/209228669.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188325879 209228674 /nfs/dbraw/zinc/22/86/74/209228674.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188325879 209228677 /nfs/dbraw/zinc/22/86/77/209228677.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188325879 209228680 /nfs/dbraw/zinc/22/86/80/209228680.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188325879 209228685 /nfs/dbraw/zinc/22/86/85/209228685.db2.gz YBWNTPALWGLLRF-WOJBJXKFSA-N 2 2 363.502 0.248 20 0 FCADLP Cn1c(=O)cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)n(C)c1=O ZINC000188287901 209228497 /nfs/dbraw/zinc/22/84/97/209228497.db2.gz TYBRTIDLOAUNKP-FQEVSTJZSA-N 2 2 372.469 0.153 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000188358176 209227733 /nfs/dbraw/zinc/22/77/33/209227733.db2.gz HNKSILKQTUZZLT-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000188358176 209227736 /nfs/dbraw/zinc/22/77/36/209227736.db2.gz HNKSILKQTUZZLT-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000188358176 209227740 /nfs/dbraw/zinc/22/77/40/209227740.db2.gz HNKSILKQTUZZLT-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000188358176 209227741 /nfs/dbraw/zinc/22/77/41/209227741.db2.gz HNKSILKQTUZZLT-HNNXBMFYSA-N 2 2 356.511 0.584 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CCN1C ZINC000276520068 212248075 /nfs/dbraw/zinc/24/80/75/212248075.db2.gz CXWSXMCQUSMHJI-INIZCTEOSA-N 2 2 372.473 0.884 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000187304957 209211412 /nfs/dbraw/zinc/21/14/12/209211412.db2.gz DFZPHYOTJVAJPS-SJORKVTESA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000187304957 209211415 /nfs/dbraw/zinc/21/14/15/209211415.db2.gz DFZPHYOTJVAJPS-SJORKVTESA-N 2 2 370.538 0.830 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000186823713 209198205 /nfs/dbraw/zinc/19/82/05/209198205.db2.gz AXUVHVCWMRSJAQ-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000186823713 209198208 /nfs/dbraw/zinc/19/82/08/209198208.db2.gz AXUVHVCWMRSJAQ-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000186856008 209197480 /nfs/dbraw/zinc/19/74/80/209197480.db2.gz GTFVNJJVTNLQSB-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000186856008 209197484 /nfs/dbraw/zinc/19/74/84/209197484.db2.gz GTFVNJJVTNLQSB-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000186288963 209188440 /nfs/dbraw/zinc/18/84/40/209188440.db2.gz WALQTDHFPUSVAU-UHFFFAOYSA-N 2 2 374.485 0.400 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275900963 212115757 /nfs/dbraw/zinc/11/57/57/212115757.db2.gz UFLOMLDDXVXZAI-HNNXBMFYSA-N 2 2 362.474 0.254 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818831 212097281 /nfs/dbraw/zinc/09/72/81/212097281.db2.gz VVEHAZUVNVREFB-CRAIPNDOSA-N 2 2 358.490 0.966 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000275818831 212097284 /nfs/dbraw/zinc/09/72/84/212097284.db2.gz VVEHAZUVNVREFB-CRAIPNDOSA-N 2 2 358.490 0.966 20 0 FCADLP C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185672984 209179730 /nfs/dbraw/zinc/17/97/30/209179730.db2.gz RNYBRBQQPFDHPJ-OLZOCXBDSA-N 2 2 374.489 0.703 20 0 FCADLP C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672984 209179732 /nfs/dbraw/zinc/17/97/32/209179732.db2.gz RNYBRBQQPFDHPJ-OLZOCXBDSA-N 2 2 374.489 0.703 20 0 FCADLP [NH3+]C1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000415241205 245368451 /nfs/dbraw/zinc/36/84/51/245368451.db2.gz RNZXLYQLPYDAQC-UHFFFAOYSA-N 2 2 350.467 0.998 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000415230687 245364950 /nfs/dbraw/zinc/36/49/50/245364950.db2.gz NQSDOGQAHUDKCD-GDBMZVCRSA-N 2 2 360.458 0.666 20 0 FCADLP Cc1nc(N2CCN(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000185006939 209170542 /nfs/dbraw/zinc/17/05/42/209170542.db2.gz LDQHDVGMTXNDES-OAHLLOKOSA-N 2 2 362.478 0.585 20 0 FCADLP Cc1nc(N2CCN(C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000185006956 209170123 /nfs/dbraw/zinc/17/01/23/209170123.db2.gz LDQHDVGMTXNDES-HNNXBMFYSA-N 2 2 362.478 0.585 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415350411 245396848 /nfs/dbraw/zinc/39/68/48/245396848.db2.gz YYGJOPGMJVDUPQ-HNNXBMFYSA-N 2 2 360.458 0.320 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000373709336 217048146 /nfs/dbraw/zinc/04/81/46/217048146.db2.gz UWBKCDFFVUTJFI-YQQAZPJKSA-N 2 2 366.506 0.996 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000373709336 217048149 /nfs/dbraw/zinc/04/81/49/217048149.db2.gz UWBKCDFFVUTJFI-YQQAZPJKSA-N 2 2 366.506 0.996 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000374082327 217094265 /nfs/dbraw/zinc/09/42/65/217094265.db2.gz XGDVSRDXIAFZCX-HYVNUMGLSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000374082327 217094268 /nfs/dbraw/zinc/09/42/68/217094268.db2.gz XGDVSRDXIAFZCX-HYVNUMGLSA-N 2 2 363.506 0.608 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374417478 217127931 /nfs/dbraw/zinc/12/79/31/217127931.db2.gz ASCKTDOSAFLSJA-HRCADAONSA-N 2 2 363.524 0.126 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374417478 217127933 /nfs/dbraw/zinc/12/79/33/217127933.db2.gz ASCKTDOSAFLSJA-HRCADAONSA-N 2 2 363.524 0.126 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374423758 217128442 /nfs/dbraw/zinc/12/84/42/217128442.db2.gz XNSHPUQXPLSLFA-ZQDZILKHSA-N 2 2 356.467 0.031 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374423758 217128445 /nfs/dbraw/zinc/12/84/45/217128445.db2.gz XNSHPUQXPLSLFA-ZQDZILKHSA-N 2 2 356.467 0.031 20 0 FCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374997230 217201475 /nfs/dbraw/zinc/20/14/75/217201475.db2.gz JHOMSOGSEMRIAM-IAGOWNOFSA-N 2 2 353.507 0.935 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000375172655 217225597 /nfs/dbraw/zinc/22/55/97/217225597.db2.gz FUAMMZJBUVNYBV-UHFFFAOYSA-N 2 2 362.478 0.571 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)ccn1 ZINC000183164264 209143094 /nfs/dbraw/zinc/14/30/94/209143094.db2.gz SHZJNEWOPOVSLB-UHFFFAOYSA-N 2 2 350.463 0.863 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)ccn1 ZINC000183164264 209143099 /nfs/dbraw/zinc/14/30/99/209143099.db2.gz SHZJNEWOPOVSLB-UHFFFAOYSA-N 2 2 350.463 0.863 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299386 217246537 /nfs/dbraw/zinc/24/65/37/217246537.db2.gz HRUDYZOJXKSJAH-BEFAXECRSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299386 217246538 /nfs/dbraw/zinc/24/65/38/217246538.db2.gz HRUDYZOJXKSJAH-BEFAXECRSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375299386 217246541 /nfs/dbraw/zinc/24/65/41/217246541.db2.gz HRUDYZOJXKSJAH-BEFAXECRSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375299386 217246543 /nfs/dbraw/zinc/24/65/43/217246543.db2.gz HRUDYZOJXKSJAH-BEFAXECRSA-N 2 2 363.458 0.233 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H](O)CN3CCOCC3)CCC[NH+]2C)cn1 ZINC000375781019 217313266 /nfs/dbraw/zinc/31/32/66/217313266.db2.gz SQGZOPHDTKLMQN-QXAKKESOSA-N 2 2 365.522 0.428 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H](O)CN3CCOCC3)CCC[NH+]2C)cn1 ZINC000375781019 217313270 /nfs/dbraw/zinc/31/32/70/217313270.db2.gz SQGZOPHDTKLMQN-QXAKKESOSA-N 2 2 365.522 0.428 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)CN3CCOCC3)CCC[N@@H+]2C)cn1 ZINC000375781019 217313273 /nfs/dbraw/zinc/31/32/73/217313273.db2.gz SQGZOPHDTKLMQN-QXAKKESOSA-N 2 2 365.522 0.428 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)CN3CCOCC3)CCC[N@H+]2C)cn1 ZINC000375781019 217313277 /nfs/dbraw/zinc/31/32/77/217313277.db2.gz SQGZOPHDTKLMQN-QXAKKESOSA-N 2 2 365.522 0.428 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000376327083 217384321 /nfs/dbraw/zinc/38/43/21/217384321.db2.gz GNGZHVXNMDKLRE-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000376327083 217384323 /nfs/dbraw/zinc/38/43/23/217384323.db2.gz GNGZHVXNMDKLRE-JKSUJKDBSA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376323515 217384730 /nfs/dbraw/zinc/38/47/30/217384730.db2.gz QFTYWZWXAZVYKV-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376323513 217385020 /nfs/dbraw/zinc/38/50/20/217385020.db2.gz QFTYWZWXAZVYKV-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418846720 245863677 /nfs/dbraw/zinc/86/36/77/245863677.db2.gz SPEXFCHUTLNABT-ZFWWWQNUSA-N 2 2 371.441 0.718 20 0 FCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419127356 246000889 /nfs/dbraw/zinc/00/08/89/246000889.db2.gz PUQHPBYYFJHOOQ-DLBZAZTESA-N 2 2 369.469 0.834 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419159362 246024096 /nfs/dbraw/zinc/02/40/96/246024096.db2.gz XITZTBSURKFFTK-HOTGVXAUSA-N 2 2 369.469 0.951 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419133313 246007602 /nfs/dbraw/zinc/00/76/02/246007602.db2.gz FPYDZKFVRSRJCQ-INIZCTEOSA-N 2 2 357.458 0.842 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@H]1C[NH3+] ZINC000419199853 246048056 /nfs/dbraw/zinc/04/80/56/246048056.db2.gz DCHBVGGTWCXSPE-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000419208840 246054611 /nfs/dbraw/zinc/05/46/11/246054611.db2.gz RYOQXRUYTUMHKT-HNNXBMFYSA-N 2 2 359.474 0.885 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)c[nH+]2)CC1 ZINC000419209649 246055047 /nfs/dbraw/zinc/05/50/47/246055047.db2.gz TZNOSJQZXOMLQF-OAHLLOKOSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C[NH2+]1 ZINC000419270781 246083498 /nfs/dbraw/zinc/08/34/98/246083498.db2.gz DMVMRYUQQYMFAZ-CABCVRRESA-N 2 2 355.442 0.756 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000419231289 246072140 /nfs/dbraw/zinc/07/21/40/246072140.db2.gz JTLPGUCLQYVFCC-JTQLQIEISA-N 2 2 360.430 0.321 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000419231289 246072144 /nfs/dbraw/zinc/07/21/44/246072144.db2.gz JTLPGUCLQYVFCC-JTQLQIEISA-N 2 2 360.430 0.321 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)[NH2+]1 ZINC000419268987 246081071 /nfs/dbraw/zinc/08/10/71/246081071.db2.gz AVSGVEGVBXRFKN-GASCZTMLSA-N 2 2 355.442 0.756 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000419308042 246094136 /nfs/dbraw/zinc/09/41/36/246094136.db2.gz OJUVDOSZRGYLDC-HNNXBMFYSA-N 2 2 359.474 0.885 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000419310262 246095141 /nfs/dbraw/zinc/09/51/41/246095141.db2.gz QRSGSPBAAIBKNB-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000419330234 246100520 /nfs/dbraw/zinc/10/05/20/246100520.db2.gz BPCPZWSENOPHFI-UHFFFAOYSA-N 2 2 367.453 0.678 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000419303876 246091321 /nfs/dbraw/zinc/09/13/21/246091321.db2.gz ISMVSCDPLPTMTE-CABCVRRESA-N 2 2 359.474 0.897 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419379966 246125175 /nfs/dbraw/zinc/12/51/75/246125175.db2.gz BFZVZEWHQIFJNA-GJZGRUSLSA-N 2 2 368.865 0.164 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419379966 246125177 /nfs/dbraw/zinc/12/51/77/246125177.db2.gz BFZVZEWHQIFJNA-GJZGRUSLSA-N 2 2 368.865 0.164 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419395825 246133393 /nfs/dbraw/zinc/13/33/93/246133393.db2.gz USAQPFCVBBYFSS-UGFHNGPFSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419395825 246133397 /nfs/dbraw/zinc/13/33/97/246133397.db2.gz USAQPFCVBBYFSS-UGFHNGPFSA-N 2 2 368.865 0.291 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419398199 246134092 /nfs/dbraw/zinc/13/40/92/246134092.db2.gz YZPJYZQBVCZSAD-GJZGRUSLSA-N 2 2 368.865 0.245 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419398199 246134096 /nfs/dbraw/zinc/13/40/96/246134096.db2.gz YZPJYZQBVCZSAD-GJZGRUSLSA-N 2 2 368.865 0.245 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)o1 ZINC000419516784 246187988 /nfs/dbraw/zinc/18/79/88/246187988.db2.gz UXQQYWUNBOPOFA-GFCCVEGCSA-N 2 2 358.389 0.551 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000419699931 246257617 /nfs/dbraw/zinc/25/76/17/246257617.db2.gz AUNFCFQKQPPCDG-MJBXVCDLSA-N 2 2 361.446 0.006 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419808184 246303886 /nfs/dbraw/zinc/30/38/86/246303886.db2.gz UPGOHBYPUQAHPK-HNNXBMFYSA-N 2 2 374.489 0.287 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419808184 246303896 /nfs/dbraw/zinc/30/38/96/246303896.db2.gz UPGOHBYPUQAHPK-HNNXBMFYSA-N 2 2 374.489 0.287 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000419721986 246270992 /nfs/dbraw/zinc/27/09/92/246270992.db2.gz CVKOTRBRTMPBAQ-HOTGVXAUSA-N 2 2 359.474 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419841819 246316448 /nfs/dbraw/zinc/31/64/48/246316448.db2.gz AKOXFGHDPSUKHR-MRXNPFEDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000419841819 246316455 /nfs/dbraw/zinc/31/64/55/246316455.db2.gz AKOXFGHDPSUKHR-MRXNPFEDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000419846268 246318760 /nfs/dbraw/zinc/31/87/60/246318760.db2.gz GWGURUJKQCASRN-ZDUSSCGKSA-N 2 2 350.488 0.822 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419858732 246329177 /nfs/dbraw/zinc/32/91/77/246329177.db2.gz XGTCDDZIWMIXQL-UHFFFAOYSA-N 2 2 374.485 0.598 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419863806 246332195 /nfs/dbraw/zinc/33/21/95/246332195.db2.gz AHFBDYMTMBETGD-OIISXLGYSA-N 2 2 359.474 0.673 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000419912119 246366734 /nfs/dbraw/zinc/36/67/34/246366734.db2.gz KVCXLWHBCDPTNS-SJORKVTESA-N 2 2 354.410 0.878 20 0 FCADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419881593 246347427 /nfs/dbraw/zinc/34/74/27/246347427.db2.gz LIYTZMHWMNNYNL-AWEZNQCLSA-N 2 2 355.442 0.986 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000419881612 246347827 /nfs/dbraw/zinc/34/78/27/246347827.db2.gz BHKNKVWKHMDJET-UHFFFAOYSA-N 2 2 362.478 0.283 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419884690 246349562 /nfs/dbraw/zinc/34/95/62/246349562.db2.gz GMYDXIXGQNFWMI-UKRRQHHQSA-N 2 2 350.488 0.822 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419891815 246354515 /nfs/dbraw/zinc/35/45/15/246354515.db2.gz NPNDMQQZBPMGAV-HUUCEWRRSA-N 2 2 364.515 0.897 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419941462 246380818 /nfs/dbraw/zinc/38/08/18/246380818.db2.gz WXKAXLNIOPOPSI-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422891124 246929909 /nfs/dbraw/zinc/92/99/09/246929909.db2.gz KBJRVWKCLNZXQA-UHFFFAOYSA-N 2 2 361.490 0.954 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375115 247014785 /nfs/dbraw/zinc/01/47/85/247014785.db2.gz ITHTWMKCGJQWSR-XHDPSFHLSA-N 2 2 354.401 0.668 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375115 247014790 /nfs/dbraw/zinc/01/47/90/247014790.db2.gz ITHTWMKCGJQWSR-XHDPSFHLSA-N 2 2 354.401 0.668 20 0 FCADLP [NH3+][C@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CCC1 ZINC000423386892 247019210 /nfs/dbraw/zinc/01/92/10/247019210.db2.gz LNMLSEOWGCCDBK-KRWDZBQOSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423338354 247007520 /nfs/dbraw/zinc/00/75/20/247007520.db2.gz YYMYDEZKUQLAJY-DLBZAZTESA-N 2 2 373.501 0.874 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000423579018 247059938 /nfs/dbraw/zinc/05/99/38/247059938.db2.gz NDCYYCWNEKZCGY-OAHLLOKOSA-N 2 2 359.474 0.875 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000423590063 247064661 /nfs/dbraw/zinc/06/46/61/247064661.db2.gz DENREUSLKBAOIE-JKSUJKDBSA-N 2 2 374.485 0.721 20 0 FCADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000423417159 247024301 /nfs/dbraw/zinc/02/43/01/247024301.db2.gz RWQAPQAFOFKYIO-WMLDXEAASA-N 2 2 360.458 0.369 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423487121 247036152 /nfs/dbraw/zinc/03/61/52/247036152.db2.gz UZVVLXKJHGSNQT-UKRRQHHQSA-N 2 2 366.487 0.139 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423491386 247037774 /nfs/dbraw/zinc/03/77/74/247037774.db2.gz JMBISMUKFYDHHE-RDJZCZTQSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423489996 247037973 /nfs/dbraw/zinc/03/79/73/247037973.db2.gz HDVMPJCSYLWMMQ-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423606865 247071789 /nfs/dbraw/zinc/07/17/89/247071789.db2.gz KKTIIAWZKITTDZ-ZFWWWQNUSA-N 2 2 353.488 0.892 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423606862 247073626 /nfs/dbraw/zinc/07/36/26/247073626.db2.gz KKTIIAWZKITTDZ-DZGCQCFKSA-N 2 2 353.488 0.892 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000423615718 247077633 /nfs/dbraw/zinc/07/76/33/247077633.db2.gz ZGBWDOPKYANCDP-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000423615718 247077637 /nfs/dbraw/zinc/07/76/37/247077637.db2.gz ZGBWDOPKYANCDP-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423780650 247142123 /nfs/dbraw/zinc/14/21/23/247142123.db2.gz WMEQCWNMQAGMCZ-GOSISDBHSA-N 2 2 355.442 0.505 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423820589 247143212 /nfs/dbraw/zinc/14/32/12/247143212.db2.gz PVFWUISRVKCGHD-UKRRQHHQSA-N 2 2 350.488 0.822 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000423812305 247143736 /nfs/dbraw/zinc/14/37/36/247143736.db2.gz QVEKUFGRIRERMX-SFHVURJKSA-N 2 2 363.458 0.597 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423929038 247152325 /nfs/dbraw/zinc/15/23/25/247152325.db2.gz IDIKJOACJMKLSL-BQFCYCMXSA-N 2 2 363.458 0.797 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423929038 247152331 /nfs/dbraw/zinc/15/23/31/247152331.db2.gz IDIKJOACJMKLSL-BQFCYCMXSA-N 2 2 363.458 0.797 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000423710767 247121259 /nfs/dbraw/zinc/12/12/59/247121259.db2.gz YHXVURNKOHUFEY-KURKYZTESA-N 2 2 351.491 0.985 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000423710767 247121263 /nfs/dbraw/zinc/12/12/63/247121263.db2.gz YHXVURNKOHUFEY-KURKYZTESA-N 2 2 351.491 0.985 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423717681 247122747 /nfs/dbraw/zinc/12/27/47/247122747.db2.gz AOOIKHGCOLNPIA-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@H]1c1cccc(F)c1 ZINC000423722375 247125719 /nfs/dbraw/zinc/12/57/19/247125719.db2.gz GAFKKKKFRXMKQW-JKSUJKDBSA-N 2 2 357.389 0.318 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000423739846 247134482 /nfs/dbraw/zinc/13/44/82/247134482.db2.gz WLUAERTZIHALFO-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP O=C(C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423741918 247135194 /nfs/dbraw/zinc/13/51/94/247135194.db2.gz YRCDOCLZOHGEHE-INMHGKMJSA-N 2 2 371.485 0.746 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000424335288 247198296 /nfs/dbraw/zinc/19/82/96/247198296.db2.gz PDVCBSWSJHLAAD-YXAMBPQSSA-N 2 2 368.503 0.759 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000424139930 247171697 /nfs/dbraw/zinc/17/16/97/247171697.db2.gz AQDDFNIAHZXGEV-HZPDHXFCSA-N 2 2 362.478 0.530 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCCCNc1cccc[nH+]1)CC[NH2+]CC2 ZINC000424514737 247245985 /nfs/dbraw/zinc/24/59/85/247245985.db2.gz BBATVWAZISOIIC-OAHLLOKOSA-N 2 2 359.474 0.990 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000425386196 247330436 /nfs/dbraw/zinc/33/04/36/247330436.db2.gz LOVQZSZRPMUWFL-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000425386196 247330439 /nfs/dbraw/zinc/33/04/39/247330439.db2.gz LOVQZSZRPMUWFL-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425405936 247336470 /nfs/dbraw/zinc/33/64/70/247336470.db2.gz RPPXAWXBAKEUGQ-UHFFFAOYSA-N 2 2 370.497 0.885 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425771327 247380658 /nfs/dbraw/zinc/38/06/58/247380658.db2.gz KOMFGAWFTYSHCJ-TZDHZFECSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425771327 247380662 /nfs/dbraw/zinc/38/06/62/247380662.db2.gz KOMFGAWFTYSHCJ-TZDHZFECSA-N 2 2 360.462 0.475 20 0 FCADLP CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611302 248003595 /nfs/dbraw/zinc/00/35/95/248003595.db2.gz AFVQBMGRHRKOMY-CQSZACIVSA-N 2 2 354.476 0.737 20 0 FCADLP CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611302 248003599 /nfs/dbraw/zinc/00/35/99/248003599.db2.gz AFVQBMGRHRKOMY-CQSZACIVSA-N 2 2 354.476 0.737 20 0 FCADLP CCOCCOCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435563299 248000033 /nfs/dbraw/zinc/00/00/33/248000033.db2.gz LPJWWLGOGAHAOI-OAHLLOKOSA-N 2 2 350.463 0.944 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567072 248000854 /nfs/dbraw/zinc/00/08/54/248000854.db2.gz PHCXTZOOTGVVLY-CABCVRRESA-N 2 2 359.474 0.900 20 0 FCADLP C[C@H](C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000435571029 248001613 /nfs/dbraw/zinc/00/16/13/248001613.db2.gz QMBGOKITLXWOJH-HZPDHXFCSA-N 2 2 361.490 0.612 20 0 FCADLP C[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435620798 248004175 /nfs/dbraw/zinc/00/41/75/248004175.db2.gz GBSYWPFBWLNHEU-CQSZACIVSA-N 2 2 366.487 0.297 20 0 FCADLP C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435620798 248004180 /nfs/dbraw/zinc/00/41/80/248004180.db2.gz GBSYWPFBWLNHEU-CQSZACIVSA-N 2 2 366.487 0.297 20 0 FCADLP Cc1ncsc1C[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@@H]1CC[NH2+]C1 ZINC000435737328 248016408 /nfs/dbraw/zinc/01/64/08/248016408.db2.gz HCQVZVRZEQECOJ-CYBMUJFWSA-N 2 2 363.487 0.461 20 0 FCADLP Cc1ncsc1C[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C[C@@H]1CC[NH2+]C1 ZINC000435737328 248016411 /nfs/dbraw/zinc/01/64/11/248016411.db2.gz HCQVZVRZEQECOJ-CYBMUJFWSA-N 2 2 363.487 0.461 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC000435796886 248019970 /nfs/dbraw/zinc/01/99/70/248019970.db2.gz IZCOUUKRBMMECN-MRXNPFEDSA-N 2 2 355.479 0.585 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC000435796886 248019972 /nfs/dbraw/zinc/01/99/72/248019972.db2.gz IZCOUUKRBMMECN-MRXNPFEDSA-N 2 2 355.479 0.585 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000436052668 248028854 /nfs/dbraw/zinc/02/88/54/248028854.db2.gz CUVPAFWLAZGGNQ-NEPJUHHUSA-N 2 2 350.385 0.469 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000436052668 248028857 /nfs/dbraw/zinc/02/88/57/248028857.db2.gz CUVPAFWLAZGGNQ-NEPJUHHUSA-N 2 2 350.385 0.469 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC([N@H+](C)CCO)CC2)c1C ZINC000438101553 248075193 /nfs/dbraw/zinc/07/51/93/248075193.db2.gz UAYXDZITRXHPTI-UHFFFAOYSA-N 2 2 352.479 0.952 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC([N@@H+](C)CCO)CC2)c1C ZINC000438101553 248075196 /nfs/dbraw/zinc/07/51/96/248075196.db2.gz UAYXDZITRXHPTI-UHFFFAOYSA-N 2 2 352.479 0.952 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(CO)CCOCC3)CC2)CC1 ZINC000440088000 248155448 /nfs/dbraw/zinc/15/54/48/248155448.db2.gz MJHCTJSBNSFAJA-UHFFFAOYSA-N 2 2 368.522 0.633 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439277355 248118519 /nfs/dbraw/zinc/11/85/19/248118519.db2.gz QOKZIJOHDMQWJG-UHFFFAOYSA-N 2 2 369.413 0.642 20 0 FCADLP COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000440546496 248195847 /nfs/dbraw/zinc/19/58/47/248195847.db2.gz GZCBQTLNGLKXJD-GOSISDBHSA-N 2 2 367.446 0.482 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442773410 248296875 /nfs/dbraw/zinc/29/68/75/248296875.db2.gz CPORBJMOHSIDTJ-KGLIPLIRSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442773410 248296878 /nfs/dbraw/zinc/29/68/78/248296878.db2.gz CPORBJMOHSIDTJ-KGLIPLIRSA-N 2 2 352.504 0.882 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772074 248297667 /nfs/dbraw/zinc/29/76/67/248297667.db2.gz UTVUYUVABIITKL-UJJTZGENSA-N 3 2 352.523 0.674 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772074 248297669 /nfs/dbraw/zinc/29/76/69/248297669.db2.gz UTVUYUVABIITKL-UJJTZGENSA-N 3 2 352.523 0.674 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772074 248297671 /nfs/dbraw/zinc/29/76/71/248297671.db2.gz UTVUYUVABIITKL-UJJTZGENSA-N 3 2 352.523 0.674 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442772074 248297673 /nfs/dbraw/zinc/29/76/73/248297673.db2.gz UTVUYUVABIITKL-UJJTZGENSA-N 3 2 352.523 0.674 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444628839 248365966 /nfs/dbraw/zinc/36/59/66/248365966.db2.gz ULIKOIWGMZKGDG-GOSISDBHSA-N 2 2 352.523 0.727 20 0 FCADLP CS[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1[NH+](C)C ZINC000270415492 211198499 /nfs/dbraw/zinc/19/84/99/211198499.db2.gz BXVRNHBRWUIIOB-HZPDHXFCSA-N 2 2 363.531 0.708 20 0 FCADLP CS[C@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1[NH+](C)C ZINC000270415480 211197686 /nfs/dbraw/zinc/19/76/86/211197686.db2.gz BXVRNHBRWUIIOB-CVEARBPZSA-N 2 2 363.531 0.708 20 0 FCADLP C[C@]1(n2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881381 250009318 /nfs/dbraw/zinc/00/93/18/250009318.db2.gz QRADTPYZNZQDNS-NXOAAHMSSA-N 2 2 352.504 0.976 20 0 FCADLP C[C@]1(n2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2)CCS(=O)(=O)C1 ZINC000469881381 250009322 /nfs/dbraw/zinc/00/93/22/250009322.db2.gz QRADTPYZNZQDNS-NXOAAHMSSA-N 2 2 352.504 0.976 20 0 FCADLP C[NH+](C)CCOCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000471638297 250111684 /nfs/dbraw/zinc/11/16/84/250111684.db2.gz RIUBBFOSXXMSBL-GOSISDBHSA-N 2 2 364.490 0.937 20 0 FCADLP C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000471659990 250113160 /nfs/dbraw/zinc/11/31/60/250113160.db2.gz UDXQEWHPQKOFJL-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000471659990 250113164 /nfs/dbraw/zinc/11/31/64/250113164.db2.gz UDXQEWHPQKOFJL-INIZCTEOSA-N 3 2 355.527 0.375 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275862 250142938 /nfs/dbraw/zinc/14/29/38/250142938.db2.gz KDAPLHUOLAJDAJ-QZTJIDSGSA-N 3 2 354.539 0.972 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275862 250142943 /nfs/dbraw/zinc/14/29/43/250142943.db2.gz KDAPLHUOLAJDAJ-QZTJIDSGSA-N 3 2 354.539 0.972 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[NH+](C)C2CC2)cn1 ZINC000471924853 250125007 /nfs/dbraw/zinc/12/50/07/250125007.db2.gz OPDJTUQFQBMAJV-HOCLYGCPSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[NH+](C)C2CC2)cn1 ZINC000471924853 250125009 /nfs/dbraw/zinc/12/50/09/250125009.db2.gz OPDJTUQFQBMAJV-HOCLYGCPSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[N@H+](C)C2CC2)cn1 ZINC000471924853 250125012 /nfs/dbraw/zinc/12/50/12/250125012.db2.gz OPDJTUQFQBMAJV-HOCLYGCPSA-N 2 2 352.458 0.726 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[N@@H+](C)C2CC2)cn1 ZINC000471924853 250125014 /nfs/dbraw/zinc/12/50/14/250125014.db2.gz OPDJTUQFQBMAJV-HOCLYGCPSA-N 2 2 352.458 0.726 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000269820342 211088695 /nfs/dbraw/zinc/08/86/95/211088695.db2.gz GHNUYIPKISQEFG-KRWDZBQOSA-N 2 2 351.451 0.030 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000473955807 250258622 /nfs/dbraw/zinc/25/86/22/250258622.db2.gz JKDVIGBHIZDSKJ-HOTGVXAUSA-N 2 2 356.511 0.630 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000480810676 250285810 /nfs/dbraw/zinc/28/58/10/250285810.db2.gz JZQPLWVSRZMSJO-UHFFFAOYSA-N 2 2 366.491 0.847 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481635570 250347922 /nfs/dbraw/zinc/34/79/22/250347922.db2.gz UQRZDDMXURPIMI-NUEKZKHPSA-N 2 2 353.511 0.839 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481635570 250347927 /nfs/dbraw/zinc/34/79/27/250347927.db2.gz UQRZDDMXURPIMI-NUEKZKHPSA-N 2 2 353.511 0.839 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCSC1 ZINC000481785124 250359405 /nfs/dbraw/zinc/35/94/05/250359405.db2.gz UAZWFWOTUCWRND-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CC1C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000481867970 250367590 /nfs/dbraw/zinc/36/75/90/250367590.db2.gz BZBICIFHRMJYSR-XSLAGTTESA-N 2 2 364.534 0.974 20 0 FCADLP CC1C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000481867970 250367595 /nfs/dbraw/zinc/36/75/95/250367595.db2.gz BZBICIFHRMJYSR-XSLAGTTESA-N 2 2 364.534 0.974 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000482011357 250375010 /nfs/dbraw/zinc/37/50/10/250375010.db2.gz AMRHDQDFZVWABB-UHFFFAOYSA-N 2 2 368.503 0.231 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000484284877 250502345 /nfs/dbraw/zinc/50/23/45/250502345.db2.gz QBWDTPLKBTWINZ-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+]1CCSCC1 ZINC000269650000 211032632 /nfs/dbraw/zinc/03/26/32/211032632.db2.gz BKBLMQGRZJGFEO-AWEZNQCLSA-N 2 2 350.488 0.972 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000413065822 532995115 /nfs/dbraw/zinc/99/51/15/532995115.db2.gz CAGOYPFRRNISMV-HZPDHXFCSA-N 2 2 370.494 0.089 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC000413065822 532995123 /nfs/dbraw/zinc/99/51/23/532995123.db2.gz CAGOYPFRRNISMV-HZPDHXFCSA-N 2 2 370.494 0.089 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@H+](C)C1 ZINC000413899449 533001470 /nfs/dbraw/zinc/00/14/70/533001470.db2.gz YDKIBRCOFXWGBZ-CYBMUJFWSA-N 2 2 350.419 0.447 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC[N@@H+](C)C1 ZINC000413899449 533001477 /nfs/dbraw/zinc/00/14/77/533001477.db2.gz YDKIBRCOFXWGBZ-CYBMUJFWSA-N 2 2 350.419 0.447 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499670 533010095 /nfs/dbraw/zinc/01/00/95/533010095.db2.gz NRBKIMCHWCCWCN-HUUCEWRRSA-N 2 2 363.462 0.369 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499670 533010101 /nfs/dbraw/zinc/01/01/01/533010101.db2.gz NRBKIMCHWCCWCN-HUUCEWRRSA-N 2 2 363.462 0.369 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000073000842 208046389 /nfs/dbraw/zinc/04/63/89/208046389.db2.gz LLNWADHQWDAINI-QGZVFWFLSA-N 2 2 374.485 0.867 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000066831050 208020174 /nfs/dbraw/zinc/02/01/74/208020174.db2.gz UCMOEGVJPSPQJK-MRXNPFEDSA-N 2 2 350.438 0.742 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000068414964 208026236 /nfs/dbraw/zinc/02/62/36/208026236.db2.gz SLGWUUHFKZHOQJ-PKOBYXMFSA-N 2 2 360.502 0.812 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069804080 208035095 /nfs/dbraw/zinc/03/50/95/208035095.db2.gz DSFRUMDDXDJSFB-QZTJIDSGSA-N 2 2 352.523 0.583 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000069804080 208035097 /nfs/dbraw/zinc/03/50/97/208035097.db2.gz DSFRUMDDXDJSFB-QZTJIDSGSA-N 2 2 352.523 0.583 20 0 FCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858493 208043301 /nfs/dbraw/zinc/04/33/01/208043301.db2.gz JDTGPTRRSVFXOS-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858493 208043307 /nfs/dbraw/zinc/04/33/07/208043307.db2.gz JDTGPTRRSVFXOS-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858493 208043312 /nfs/dbraw/zinc/04/33/12/208043312.db2.gz JDTGPTRRSVFXOS-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000072858493 208043317 /nfs/dbraw/zinc/04/33/17/208043317.db2.gz JDTGPTRRSVFXOS-INIZCTEOSA-N 2 2 362.474 0.441 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000073046898 208045680 /nfs/dbraw/zinc/04/56/80/208045680.db2.gz OOABHSRRPMCBJC-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000073046898 208045686 /nfs/dbraw/zinc/04/56/86/208045686.db2.gz OOABHSRRPMCBJC-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000074372314 208055243 /nfs/dbraw/zinc/05/52/43/208055243.db2.gz OJRFNNSJEJGFCL-ZWKOTPCHSA-N 2 2 368.522 0.851 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000075836059 208061985 /nfs/dbraw/zinc/06/19/85/208061985.db2.gz YBAPPDQWSKQRSM-KRWDZBQOSA-N 2 2 362.518 0.875 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000075836059 208061991 /nfs/dbraw/zinc/06/19/91/208061991.db2.gz YBAPPDQWSKQRSM-KRWDZBQOSA-N 2 2 362.518 0.875 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091593944 208137893 /nfs/dbraw/zinc/13/78/93/208137893.db2.gz SMKIGMYHLUQWQW-LBPRGKRZSA-N 2 2 350.385 0.293 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091593944 208137898 /nfs/dbraw/zinc/13/78/98/208137898.db2.gz SMKIGMYHLUQWQW-LBPRGKRZSA-N 2 2 350.385 0.293 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000083231737 208104048 /nfs/dbraw/zinc/10/40/48/208104048.db2.gz BIFUQMNZGLAHED-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000083231735 208105673 /nfs/dbraw/zinc/10/56/73/208105673.db2.gz BIFUQMNZGLAHED-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000083691819 208107144 /nfs/dbraw/zinc/10/71/44/208107144.db2.gz BVLHZJYUFVZTBM-OAHLLOKOSA-N 2 2 356.511 0.630 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000093158090 208153644 /nfs/dbraw/zinc/15/36/44/208153644.db2.gz FXETXFXCIMOCJE-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000093158090 208153649 /nfs/dbraw/zinc/15/36/49/208153649.db2.gz FXETXFXCIMOCJE-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP CC1CCN(C(=O)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000093159506 208155631 /nfs/dbraw/zinc/15/56/31/208155631.db2.gz XUBLYETXQUZGDD-UHFFFAOYSA-N 2 2 350.507 0.731 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104887286 208186385 /nfs/dbraw/zinc/18/63/85/208186385.db2.gz POEKDYVQCIFHGZ-LJQANCHMSA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000105177913 208192365 /nfs/dbraw/zinc/19/23/65/208192365.db2.gz COWLNEVMFXWCMA-QGZVFWFLSA-N 2 2 356.536 0.835 20 0 FCADLP CC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000105197781 208193090 /nfs/dbraw/zinc/19/30/90/208193090.db2.gz IYKFOVQPPRUUBC-UHFFFAOYSA-N 2 2 362.478 0.534 20 0 FCADLP CC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000105197781 208193095 /nfs/dbraw/zinc/19/30/95/208193095.db2.gz IYKFOVQPPRUUBC-UHFFFAOYSA-N 2 2 362.478 0.534 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000107369934 208242977 /nfs/dbraw/zinc/24/29/77/208242977.db2.gz WFXYAMWKELKMOK-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)C2)CC1 ZINC000107369934 208242982 /nfs/dbraw/zinc/24/29/82/208242982.db2.gz WFXYAMWKELKMOK-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000106403258 208224785 /nfs/dbraw/zinc/22/47/85/208224785.db2.gz RHQACUGFDOMQGO-PMACEKPBSA-N 2 2 374.529 0.890 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000106530942 208225776 /nfs/dbraw/zinc/22/57/76/208225776.db2.gz ZHLHIDFIBSDELC-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)CC1 ZINC000106479116 208226963 /nfs/dbraw/zinc/22/69/63/208226963.db2.gz ROIWKWBREMGWMX-DLBZAZTESA-N 2 2 360.506 0.654 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000106583711 208229828 /nfs/dbraw/zinc/22/98/28/208229828.db2.gz WORUHLCFVYMSFD-KRWDZBQOSA-N 2 2 360.506 0.545 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000106922027 208237261 /nfs/dbraw/zinc/23/72/61/208237261.db2.gz UTFROAYSFFYOJA-SFHVURJKSA-N 2 2 373.545 0.800 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000106922027 208237268 /nfs/dbraw/zinc/23/72/68/208237268.db2.gz UTFROAYSFFYOJA-SFHVURJKSA-N 2 2 373.545 0.800 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867651 208287493 /nfs/dbraw/zinc/28/74/93/208287493.db2.gz JEUHVLZQWGWKNV-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867651 208287499 /nfs/dbraw/zinc/28/74/99/208287499.db2.gz JEUHVLZQWGWKNV-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000112204977 208289583 /nfs/dbraw/zinc/28/95/83/208289583.db2.gz MOVFIUGAGNRGMH-IAGOWNOFSA-N 2 2 354.495 0.461 20 0 FCADLP Cn1cc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000112506067 208295878 /nfs/dbraw/zinc/29/58/78/208295878.db2.gz SEXBKKOGHHHFLB-INIZCTEOSA-N 2 2 357.462 0.805 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)CC1 ZINC000118834929 208352727 /nfs/dbraw/zinc/35/27/27/208352727.db2.gz AFEVXTXWMXMHOT-KRWDZBQOSA-N 2 2 365.522 0.857 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)CC1 ZINC000118834929 208352728 /nfs/dbraw/zinc/35/27/28/208352728.db2.gz AFEVXTXWMXMHOT-KRWDZBQOSA-N 2 2 365.522 0.857 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000118834579 208352873 /nfs/dbraw/zinc/35/28/73/208352873.db2.gz MLMRPMVZQNBQFV-MAUKXSAKSA-N 2 2 373.501 0.824 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000118834579 208352874 /nfs/dbraw/zinc/35/28/74/208352874.db2.gz MLMRPMVZQNBQFV-MAUKXSAKSA-N 2 2 373.501 0.824 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120192366 208377125 /nfs/dbraw/zinc/37/71/25/208377125.db2.gz HXYVDTHIDJWMOY-IEBWSBKVSA-N 2 2 364.490 0.499 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120192366 208377132 /nfs/dbraw/zinc/37/71/32/208377132.db2.gz HXYVDTHIDJWMOY-IEBWSBKVSA-N 2 2 364.490 0.499 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)C[NH+]1CCOCC1 ZINC000120923413 208394019 /nfs/dbraw/zinc/39/40/19/208394019.db2.gz JZLKRSGZSOCWDM-AWEZNQCLSA-N 2 2 360.458 0.655 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)C[NH+]1CCOCC1 ZINC000120923413 208394022 /nfs/dbraw/zinc/39/40/22/208394022.db2.gz JZLKRSGZSOCWDM-AWEZNQCLSA-N 2 2 360.458 0.655 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000177147356 209017593 /nfs/dbraw/zinc/01/75/93/209017593.db2.gz ZPOUWTUFZHUDIR-OAHLLOKOSA-N 2 2 362.474 0.770 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCN2C(=O)COc3ccccc32)CC1 ZINC000177132688 209018727 /nfs/dbraw/zinc/01/87/27/209018727.db2.gz AHBFMBKFOCAEFI-UHFFFAOYSA-N 2 2 374.485 0.944 20 0 FCADLP COC(=O)CCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259482 209020234 /nfs/dbraw/zinc/02/02/34/209020234.db2.gz QIFKYBQTUVZADG-UHFFFAOYSA-N 2 2 362.474 0.700 20 0 FCADLP COC(=O)CCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259482 209020238 /nfs/dbraw/zinc/02/02/38/209020238.db2.gz QIFKYBQTUVZADG-UHFFFAOYSA-N 2 2 362.474 0.700 20 0 FCADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178788260 209061352 /nfs/dbraw/zinc/06/13/52/209061352.db2.gz QOQWXKJJDQPXRE-RTBURBONSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178788260 209061354 /nfs/dbraw/zinc/06/13/54/209061354.db2.gz QOQWXKJJDQPXRE-RTBURBONSA-N 2 2 358.486 0.394 20 0 FCADLP CCCn1nc(C)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000178904179 209065351 /nfs/dbraw/zinc/06/53/51/209065351.db2.gz FIMCTHXWHBKTRU-KRWDZBQOSA-N 2 2 363.506 0.933 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+](C)C1 ZINC000413038055 533480582 /nfs/dbraw/zinc/48/05/82/533480582.db2.gz DAADOHAULWMWJH-UONOGXRCSA-N 2 2 352.435 0.629 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+](C)C1 ZINC000413038055 533480589 /nfs/dbraw/zinc/48/05/89/533480589.db2.gz DAADOHAULWMWJH-UONOGXRCSA-N 2 2 352.435 0.629 20 0 FCADLP NC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109698985 132374200 /nfs/dbraw/zinc/37/42/00/132374200.db2.gz WCRHSVWQTOICPT-MRXNPFEDSA-N 2 2 359.474 0.850 20 0 FCADLP NC(=O)C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109698985 132374201 /nfs/dbraw/zinc/37/42/01/132374201.db2.gz WCRHSVWQTOICPT-MRXNPFEDSA-N 2 2 359.474 0.850 20 0 FCADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+]1CCSCC1 ZINC000179155315 209074093 /nfs/dbraw/zinc/07/40/93/209074093.db2.gz OGCDJBWHRFMGTH-CQSZACIVSA-N 2 2 350.488 0.972 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000179314101 209075283 /nfs/dbraw/zinc/07/52/83/209075283.db2.gz OGUWRVQMYYHRPW-MRXNPFEDSA-N 2 2 363.510 0.726 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000175736109 229215771 /nfs/dbraw/zinc/21/57/71/229215771.db2.gz VTSBXGYQPPSHEW-GOEBONIOSA-N 2 2 353.467 0.162 20 0 FCADLP C[C@@H]1COCCN1CC[N@@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000192693080 229268105 /nfs/dbraw/zinc/26/81/05/229268105.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000192693080 229268110 /nfs/dbraw/zinc/26/81/10/229268110.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000192693080 229268114 /nfs/dbraw/zinc/26/81/14/229268114.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000192693080 229268117 /nfs/dbraw/zinc/26/81/17/229268117.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCC[NH+]1CCN1CCC[N@@H+](CCN2CCOC[C@@H]2C)CC1 ZINC000192693080 229268121 /nfs/dbraw/zinc/26/81/21/229268121.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCC[NH+]1CCN1CCC[N@H+](CCN2CCOC[C@@H]2C)CC1 ZINC000192693080 229268123 /nfs/dbraw/zinc/26/81/23/229268123.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCN1CCC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000192693080 229268128 /nfs/dbraw/zinc/26/81/28/229268128.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCN1CCC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000192693080 229268131 /nfs/dbraw/zinc/26/81/31/229268131.db2.gz RURRGYXNHAOWFV-KDURUIRLSA-N 2 2 354.539 0.436 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410497910 230102586 /nfs/dbraw/zinc/10/25/86/230102586.db2.gz LMNMRRZZAJNZRV-NVXWUHKLSA-N 2 2 373.501 0.896 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410497910 230102591 /nfs/dbraw/zinc/10/25/91/230102591.db2.gz LMNMRRZZAJNZRV-NVXWUHKLSA-N 2 2 373.501 0.896 20 0 FCADLP C[C@@H]1CSCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410571391 230138404 /nfs/dbraw/zinc/13/84/04/230138404.db2.gz BXNKYCBJQXWYMS-CQSZACIVSA-N 2 2 356.536 0.435 20 0 FCADLP C[C@@H]1CSCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410571391 230138408 /nfs/dbraw/zinc/13/84/08/230138408.db2.gz BXNKYCBJQXWYMS-CQSZACIVSA-N 2 2 356.536 0.435 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000410889971 230292669 /nfs/dbraw/zinc/29/26/69/230292669.db2.gz OTOQOBSCDCCMNB-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410889971 230292672 /nfs/dbraw/zinc/29/26/72/230292672.db2.gz OTOQOBSCDCCMNB-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000410889973 230293128 /nfs/dbraw/zinc/29/31/28/230293128.db2.gz OTOQOBSCDCCMNB-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410889973 230293133 /nfs/dbraw/zinc/29/31/33/230293133.db2.gz OTOQOBSCDCCMNB-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)C1 ZINC000329165742 488976317 /nfs/dbraw/zinc/97/63/17/488976317.db2.gz HISWSBKFQFTMAD-GOSISDBHSA-N 2 2 373.563 0.538 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)C1 ZINC000329165742 488976318 /nfs/dbraw/zinc/97/63/18/488976318.db2.gz HISWSBKFQFTMAD-GOSISDBHSA-N 2 2 373.563 0.538 20 0 FCADLP c1cnc(N2CC[NH+](CCNc3cc[nH+]c(N4CCOCC4)n3)CC2)nc1 ZINC000544678493 484417356 /nfs/dbraw/zinc/41/73/56/484417356.db2.gz MFTRHDCTVHHJKT-UHFFFAOYSA-N 2 2 370.461 0.337 20 0 FCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695528 488874764 /nfs/dbraw/zinc/87/47/64/488874764.db2.gz NQETYCOJYCQEAX-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695528 488874765 /nfs/dbraw/zinc/87/47/65/488874765.db2.gz NQETYCOJYCQEAX-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695528 488874766 /nfs/dbraw/zinc/87/47/66/488874766.db2.gz NQETYCOJYCQEAX-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCNC(=O)C1 ZINC000363695528 488874767 /nfs/dbraw/zinc/87/47/67/488874767.db2.gz NQETYCOJYCQEAX-NRFANRHFSA-N 2 2 370.497 0.933 20 0 FCADLP CC(C)(C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000278581281 488883054 /nfs/dbraw/zinc/88/30/54/488883054.db2.gz BQSJWKDMYPCANW-GOSISDBHSA-N 2 2 361.486 0.980 20 0 FCADLP CC(C)(C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000278581281 488883057 /nfs/dbraw/zinc/88/30/57/488883057.db2.gz BQSJWKDMYPCANW-GOSISDBHSA-N 2 2 361.486 0.980 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323607868 488904049 /nfs/dbraw/zinc/90/40/49/488904049.db2.gz KGRWHSXMZYMGRL-INIZCTEOSA-N 2 2 353.488 0.483 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323607868 488904052 /nfs/dbraw/zinc/90/40/52/488904052.db2.gz KGRWHSXMZYMGRL-INIZCTEOSA-N 2 2 353.488 0.483 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCn3cccc3)CC2)CC1 ZINC000287856628 488914177 /nfs/dbraw/zinc/91/41/77/488914177.db2.gz CRXIUZDGTLIGNR-UHFFFAOYSA-N 2 2 361.490 0.279 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000288128331 488947318 /nfs/dbraw/zinc/94/73/18/488947318.db2.gz YZIXZFKKWSBSSZ-UHFFFAOYSA-N 2 2 365.478 0.315 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000288128331 488947319 /nfs/dbraw/zinc/94/73/19/488947319.db2.gz YZIXZFKKWSBSSZ-UHFFFAOYSA-N 2 2 365.478 0.315 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025508629 487667135 /nfs/dbraw/zinc/66/71/35/487667135.db2.gz KITHECKOJULVQX-GASCZTMLSA-N 2 2 371.489 0.990 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025508629 487667141 /nfs/dbraw/zinc/66/71/41/487667141.db2.gz KITHECKOJULVQX-GASCZTMLSA-N 2 2 371.489 0.990 20 0 FCADLP CC(C)[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000026942968 487688603 /nfs/dbraw/zinc/68/86/03/487688603.db2.gz FSXPOJROOMVWSR-UHFFFAOYSA-N 2 2 357.462 0.885 20 0 FCADLP CC(C)[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000026942968 487688607 /nfs/dbraw/zinc/68/86/07/487688607.db2.gz FSXPOJROOMVWSR-UHFFFAOYSA-N 2 2 357.462 0.885 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3OCC(N)=O)CC2)CC1 ZINC000050800462 488114023 /nfs/dbraw/zinc/11/40/23/488114023.db2.gz XIJHRAQVSFNFTR-UHFFFAOYSA-N 2 2 374.485 0.839 20 0 FCADLP CC(=O)N1CCC[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000050801062 488115234 /nfs/dbraw/zinc/11/52/34/488115234.db2.gz BKZIZEQVDURFAO-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762669 488144618 /nfs/dbraw/zinc/14/46/18/488144618.db2.gz JUNPQJFYIUQEKU-HNNXBMFYSA-N 2 2 364.465 0.579 20 0 FCADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762670 488145256 /nfs/dbraw/zinc/14/52/56/488145256.db2.gz JUNPQJFYIUQEKU-OAHLLOKOSA-N 2 2 364.465 0.579 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000052291462 488162405 /nfs/dbraw/zinc/16/24/05/488162405.db2.gz YGVJLNVZMXUYQR-UHFFFAOYSA-N 2 2 350.467 0.481 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000279810063 488969441 /nfs/dbraw/zinc/96/94/41/488969441.db2.gz XEEPZYGNGAJSJW-UHFFFAOYSA-N 2 2 369.473 0.886 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329126139 488972013 /nfs/dbraw/zinc/97/20/13/488972013.db2.gz UBWBSJDLDMVPQA-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329126139 488972016 /nfs/dbraw/zinc/97/20/16/488972016.db2.gz UBWBSJDLDMVPQA-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)NCCCOC)CC2)CC1 ZINC000056308308 488255644 /nfs/dbraw/zinc/25/56/44/488255644.db2.gz RAWFVZMFECWCGF-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000059320083 488287905 /nfs/dbraw/zinc/28/79/05/488287905.db2.gz FRFIFFVKSMOEKK-UHFFFAOYSA-N 2 2 373.501 0.724 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000061880060 488298300 /nfs/dbraw/zinc/29/83/00/488298300.db2.gz RCJLUDCRMCIGGT-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000061880060 488298303 /nfs/dbraw/zinc/29/83/03/488298303.db2.gz RCJLUDCRMCIGGT-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP [NH3+][C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000562810798 491191421 /nfs/dbraw/zinc/19/14/21/491191421.db2.gz CPLUTKCNSRKHAA-INIZCTEOSA-N 2 2 351.495 0.454 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000562821214 491192452 /nfs/dbraw/zinc/19/24/52/491192452.db2.gz CODDMWWBDDQFKZ-UHFFFAOYSA-N 2 2 352.504 0.727 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000562821214 491192453 /nfs/dbraw/zinc/19/24/53/491192453.db2.gz CODDMWWBDDQFKZ-UHFFFAOYSA-N 2 2 352.504 0.727 20 0 FCADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000073483848 488384889 /nfs/dbraw/zinc/38/48/89/488384889.db2.gz LJLYQCSDJPOWNK-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073664814 488385775 /nfs/dbraw/zinc/38/57/75/488385775.db2.gz BHCXOTHEIXGBHF-HZPDHXFCSA-N 2 2 365.522 0.855 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000073749392 488386076 /nfs/dbraw/zinc/38/60/76/488386076.db2.gz DZNPJASZDVFJDF-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000073749392 488386077 /nfs/dbraw/zinc/38/60/77/488386077.db2.gz DZNPJASZDVFJDF-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[N@H+](C)C1CC1 ZINC000074099711 488387350 /nfs/dbraw/zinc/38/73/50/488387350.db2.gz BZUMGPZOIRJVBQ-KBPBESRZSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[N@@H+](C)C1CC1 ZINC000074099711 488387351 /nfs/dbraw/zinc/38/73/51/488387351.db2.gz BZUMGPZOIRJVBQ-KBPBESRZSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000182710084 488389213 /nfs/dbraw/zinc/38/92/13/488389213.db2.gz YTTCOGZZTSDOPX-IAGOWNOFSA-N 2 2 355.527 0.375 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000074658613 488393502 /nfs/dbraw/zinc/39/35/02/488393502.db2.gz VHGKNAFBNUCLSA-QGZVFWFLSA-N 2 2 351.539 0.997 20 0 FCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000184111989 488395230 /nfs/dbraw/zinc/39/52/30/488395230.db2.gz ACXLVBITPICRIF-HNNXBMFYSA-N 2 2 356.426 0.742 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076240883 488402247 /nfs/dbraw/zinc/40/22/47/488402247.db2.gz DAGYDRWJJOVWSG-UHFFFAOYSA-N 2 2 361.446 0.905 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076240883 488402250 /nfs/dbraw/zinc/40/22/50/488402250.db2.gz DAGYDRWJJOVWSG-UHFFFAOYSA-N 2 2 361.446 0.905 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000185648617 488402489 /nfs/dbraw/zinc/40/24/89/488402489.db2.gz VUZYUYDEZNZHOD-HNNXBMFYSA-N 2 2 362.478 0.524 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000185648617 488402490 /nfs/dbraw/zinc/40/24/90/488402490.db2.gz VUZYUYDEZNZHOD-HNNXBMFYSA-N 2 2 362.478 0.524 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000185648617 488402492 /nfs/dbraw/zinc/40/24/92/488402492.db2.gz VUZYUYDEZNZHOD-HNNXBMFYSA-N 2 2 362.478 0.524 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)C1 ZINC000185648617 488402494 /nfs/dbraw/zinc/40/24/94/488402494.db2.gz VUZYUYDEZNZHOD-HNNXBMFYSA-N 2 2 362.478 0.524 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000186128758 488404675 /nfs/dbraw/zinc/40/46/75/488404675.db2.gz ZZVXOHKOCRGVEG-SJORKVTESA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](CO)O1 ZINC000189183238 488414091 /nfs/dbraw/zinc/41/40/91/488414091.db2.gz UOSQFRMKTFUYEN-RHSMWYFYSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000077876996 488419239 /nfs/dbraw/zinc/41/92/39/488419239.db2.gz YGWQZYIMZLTCMP-CABCVRRESA-N 2 2 362.540 0.477 20 0 FCADLP COCC[NH+]1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000193139507 488426268 /nfs/dbraw/zinc/42/62/68/488426268.db2.gz LBYLZCFRDKOHSA-KRWDZBQOSA-N 2 2 355.527 0.232 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000193421246 488427247 /nfs/dbraw/zinc/42/72/47/488427247.db2.gz MRIZUMYMZWMINI-UHFFFAOYSA-N 2 2 373.501 0.508 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000193421246 488427248 /nfs/dbraw/zinc/42/72/48/488427248.db2.gz MRIZUMYMZWMINI-UHFFFAOYSA-N 2 2 373.501 0.508 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668333200 493332419 /nfs/dbraw/zinc/33/24/19/493332419.db2.gz HMZOXOHTKBCMQD-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1)N1CCCC1 ZINC000079460422 488430079 /nfs/dbraw/zinc/43/00/79/488430079.db2.gz KSUDWIHTBIWSOG-MRXNPFEDSA-N 2 2 363.506 0.420 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1)N1CCCC1 ZINC000079460422 488430081 /nfs/dbraw/zinc/43/00/81/488430081.db2.gz KSUDWIHTBIWSOG-MRXNPFEDSA-N 2 2 363.506 0.420 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000668333200 493332421 /nfs/dbraw/zinc/33/24/21/493332421.db2.gz HMZOXOHTKBCMQD-SFHVURJKSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1)N1CCCC1 ZINC000079551653 488430820 /nfs/dbraw/zinc/43/08/20/488430820.db2.gz UKRCKXYBVXFLBU-IRXDYDNUSA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1)N1CCCC1 ZINC000079551653 488430822 /nfs/dbraw/zinc/43/08/22/488430822.db2.gz UKRCKXYBVXFLBU-IRXDYDNUSA-N 2 2 363.506 0.563 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[NH+](CC2CC2)CC1 ZINC000080022185 488433067 /nfs/dbraw/zinc/43/30/67/488433067.db2.gz ZBIIAHPWPVPJQS-GOSISDBHSA-N 2 2 368.547 0.932 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000080706060 488436946 /nfs/dbraw/zinc/43/69/46/488436946.db2.gz MUMKADUVVXCTQW-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000080706060 488436948 /nfs/dbraw/zinc/43/69/48/488436948.db2.gz MUMKADUVVXCTQW-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000081006154 488438841 /nfs/dbraw/zinc/43/88/41/488438841.db2.gz YZDAUVBIDCUPHU-CYBMUJFWSA-N 2 2 353.385 0.430 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000081006154 488438842 /nfs/dbraw/zinc/43/88/42/488438842.db2.gz YZDAUVBIDCUPHU-CYBMUJFWSA-N 2 2 353.385 0.430 20 0 FCADLP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000081526591 488442495 /nfs/dbraw/zinc/44/24/95/488442495.db2.gz ZVDRXDJPZONJQQ-OAHLLOKOSA-N 2 2 362.474 0.771 20 0 FCADLP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000081526591 488442496 /nfs/dbraw/zinc/44/24/96/488442496.db2.gz ZVDRXDJPZONJQQ-OAHLLOKOSA-N 2 2 362.474 0.771 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000083735942 488448377 /nfs/dbraw/zinc/44/83/77/488448377.db2.gz ZYWYLJLTCIVMAW-ROUUACIJSA-N 2 2 368.522 0.585 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000083735942 488448380 /nfs/dbraw/zinc/44/83/80/488448380.db2.gz ZYWYLJLTCIVMAW-ROUUACIJSA-N 2 2 368.522 0.585 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000083738969 488449446 /nfs/dbraw/zinc/44/94/46/488449446.db2.gz VOOSNVZGXKTHIC-UHFFFAOYSA-N 2 2 357.462 0.909 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268861987 488453642 /nfs/dbraw/zinc/45/36/42/488453642.db2.gz DVYLZQXNZIPRMR-XJKSGUPXSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268861987 488453643 /nfs/dbraw/zinc/45/36/43/488453643.db2.gz DVYLZQXNZIPRMR-XJKSGUPXSA-N 2 2 368.503 0.585 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C1CC1 ZINC000087087276 488454100 /nfs/dbraw/zinc/45/41/00/488454100.db2.gz MRADOZPDIISOMW-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C1CC1 ZINC000087087276 488454103 /nfs/dbraw/zinc/45/41/03/488454103.db2.gz MRADOZPDIISOMW-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236848562 488454124 /nfs/dbraw/zinc/45/41/24/488454124.db2.gz JZOSDWZKONOWAH-LJQANCHMSA-N 2 2 358.486 0.980 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c[nH+]1 ZINC000268894072 488455336 /nfs/dbraw/zinc/45/53/36/488455336.db2.gz JHXSSKFLGCUCRW-MRXNPFEDSA-N 2 2 374.489 0.596 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c[nH+]1 ZINC000268894072 488455338 /nfs/dbraw/zinc/45/53/38/488455338.db2.gz JHXSSKFLGCUCRW-MRXNPFEDSA-N 2 2 374.489 0.596 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237505560 488456204 /nfs/dbraw/zinc/45/62/04/488456204.db2.gz OATIEPVBFGNYJN-HNNXBMFYSA-N 2 2 360.458 0.150 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000238123627 488458840 /nfs/dbraw/zinc/45/88/40/488458840.db2.gz ZIADPDACYWLJPQ-UHFFFAOYSA-N 2 2 371.485 0.589 20 0 FCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926755 488458938 /nfs/dbraw/zinc/45/89/38/488458938.db2.gz CBTHDEVYPJQVAX-JTQLQIEISA-N 2 2 362.356 0.319 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000246870040 488477824 /nfs/dbraw/zinc/47/78/24/488477824.db2.gz VZPAQZZNYODJMN-WSTZPKSXSA-N 2 2 374.529 0.889 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000246870040 488477825 /nfs/dbraw/zinc/47/78/25/488477825.db2.gz VZPAQZZNYODJMN-WSTZPKSXSA-N 2 2 374.529 0.889 20 0 FCADLP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000246970980 488479120 /nfs/dbraw/zinc/47/91/20/488479120.db2.gz ZIHGVZVVWPAHDF-MRXNPFEDSA-N 2 2 363.506 0.968 20 0 FCADLP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000246970980 488479122 /nfs/dbraw/zinc/47/91/22/488479122.db2.gz ZIHGVZVVWPAHDF-MRXNPFEDSA-N 2 2 363.506 0.968 20 0 FCADLP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000246970980 488479123 /nfs/dbraw/zinc/47/91/23/488479123.db2.gz ZIHGVZVVWPAHDF-MRXNPFEDSA-N 2 2 363.506 0.968 20 0 FCADLP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000246970980 488479126 /nfs/dbraw/zinc/47/91/26/488479126.db2.gz ZIHGVZVVWPAHDF-MRXNPFEDSA-N 2 2 363.506 0.968 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000269207106 488479290 /nfs/dbraw/zinc/47/92/90/488479290.db2.gz MKNWZTHBBUBCPV-KRWDZBQOSA-N 2 2 372.469 0.452 20 0 FCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000269253935 488482926 /nfs/dbraw/zinc/48/29/26/488482926.db2.gz QVVNAXXHHARETK-GOSISDBHSA-N 2 2 363.458 0.392 20 0 FCADLP O=C(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000269252568 488483010 /nfs/dbraw/zinc/48/30/10/488483010.db2.gz ZJCNCZJLLHEICR-KRWDZBQOSA-N 2 2 360.458 0.584 20 0 FCADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CC[NH3+])cc2)CC1 ZINC000269265705 488484497 /nfs/dbraw/zinc/48/44/97/488484497.db2.gz YXMJNMUVHHTLKO-UHFFFAOYSA-N 2 2 362.474 0.237 20 0 FCADLP C[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1n1cc[nH+]c1 ZINC000247366782 488484780 /nfs/dbraw/zinc/48/47/80/488484780.db2.gz HNLQLPYDFICKRV-ZIAGYGMSSA-N 2 2 371.445 0.213 20 0 FCADLP C[C@@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1n1cc[nH+]c1 ZINC000247366782 488484782 /nfs/dbraw/zinc/48/47/82/488484782.db2.gz HNLQLPYDFICKRV-ZIAGYGMSSA-N 2 2 371.445 0.213 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000269274330 488485575 /nfs/dbraw/zinc/48/55/75/488485575.db2.gz VTWQSHSARNCBLH-GOSISDBHSA-N 2 2 355.442 0.868 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000248200450 488494255 /nfs/dbraw/zinc/49/42/55/488494255.db2.gz YMZIEUHBOXLKNR-WBVHZDCISA-N 2 2 367.515 0.864 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000248200450 488494256 /nfs/dbraw/zinc/49/42/56/488494256.db2.gz YMZIEUHBOXLKNR-WBVHZDCISA-N 2 2 367.515 0.864 20 0 FCADLP CC(C)[C@H](C(=O)N1CCC[NH+](CC(N)=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248253065 488494681 /nfs/dbraw/zinc/49/46/81/488494681.db2.gz SVYGUHTVHAXIGJ-HLLBOEOZSA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@H](C(=O)N1CCC[NH+](CC(N)=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248253065 488494682 /nfs/dbraw/zinc/49/46/82/488494682.db2.gz SVYGUHTVHAXIGJ-HLLBOEOZSA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248253065 488494683 /nfs/dbraw/zinc/49/46/83/488494683.db2.gz SVYGUHTVHAXIGJ-HLLBOEOZSA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248253065 488494686 /nfs/dbraw/zinc/49/46/86/488494686.db2.gz SVYGUHTVHAXIGJ-HLLBOEOZSA-N 2 2 354.495 0.140 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n2c1 ZINC000269383021 488497937 /nfs/dbraw/zinc/49/79/37/488497937.db2.gz YNOAYEMFCJGGIA-HZPDHXFCSA-N 2 2 364.471 0.230 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000103168831 488500385 /nfs/dbraw/zinc/50/03/85/488500385.db2.gz YANCZJCCHIBTFW-MRXNPFEDSA-N 2 2 351.447 0.397 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248735255 488501906 /nfs/dbraw/zinc/50/19/06/488501906.db2.gz NIXOYOSJXQESFB-DLBZAZTESA-N 2 2 369.473 0.905 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248735255 488501910 /nfs/dbraw/zinc/50/19/10/488501910.db2.gz NIXOYOSJXQESFB-DLBZAZTESA-N 2 2 369.473 0.905 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249115715 488506068 /nfs/dbraw/zinc/50/60/68/488506068.db2.gz YPHDAZRFMQVZNT-OTWHNJEPSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249115715 488506071 /nfs/dbraw/zinc/50/60/71/488506071.db2.gz YPHDAZRFMQVZNT-OTWHNJEPSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249115715 488506073 /nfs/dbraw/zinc/50/60/73/488506073.db2.gz YPHDAZRFMQVZNT-OTWHNJEPSA-N 2 2 354.539 0.434 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105233197 488508721 /nfs/dbraw/zinc/50/87/21/488508721.db2.gz WKHVRZIFRRJJCZ-HZPDHXFCSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249511724 488511271 /nfs/dbraw/zinc/51/12/71/488511271.db2.gz IIDLZBKHXVUURV-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1COCCN1CC[N@@H+]1C[C@@H](C)N(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249511724 488511272 /nfs/dbraw/zinc/51/12/72/488511272.db2.gz IIDLZBKHXVUURV-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1C[C@@H](C)N(CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249511724 488511275 /nfs/dbraw/zinc/51/12/75/488511275.db2.gz IIDLZBKHXVUURV-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1C[C@@H](C)N(CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249511724 488511276 /nfs/dbraw/zinc/51/12/76/488511276.db2.gz IIDLZBKHXVUURV-WCIQWLHISA-N 2 2 368.566 0.822 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249600679 488513180 /nfs/dbraw/zinc/51/31/80/488513180.db2.gz YBWNTPALWGLLRF-UXHICEINSA-N 2 2 363.502 0.248 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249600679 488513181 /nfs/dbraw/zinc/51/31/81/488513181.db2.gz YBWNTPALWGLLRF-UXHICEINSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249600679 488513184 /nfs/dbraw/zinc/51/31/84/488513184.db2.gz YBWNTPALWGLLRF-UXHICEINSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@@H](O)CN1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249600679 488513186 /nfs/dbraw/zinc/51/31/86/488513186.db2.gz YBWNTPALWGLLRF-UXHICEINSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249600679 488513187 /nfs/dbraw/zinc/51/31/87/488513187.db2.gz YBWNTPALWGLLRF-UXHICEINSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249600679 488513188 /nfs/dbraw/zinc/51/31/88/488513188.db2.gz YBWNTPALWGLLRF-UXHICEINSA-N 2 2 363.502 0.248 20 0 FCADLP CC(C)C[C@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106525161 488515180 /nfs/dbraw/zinc/51/51/80/488515180.db2.gz GLDUZNSIRGYIGG-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106525161 488515181 /nfs/dbraw/zinc/51/51/81/488515181.db2.gz GLDUZNSIRGYIGG-QZTJIDSGSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000253356050 488519985 /nfs/dbraw/zinc/51/99/85/488519985.db2.gz XPQWOABVSZADLR-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000253356050 488519987 /nfs/dbraw/zinc/51/99/87/488519987.db2.gz XPQWOABVSZADLR-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000253356050 488519990 /nfs/dbraw/zinc/51/99/90/488519990.db2.gz XPQWOABVSZADLR-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCN3CCO[C@@H](C)C3)C[C@@H]2C)CCO1 ZINC000253356050 488519992 /nfs/dbraw/zinc/51/99/92/488519992.db2.gz XPQWOABVSZADLR-GBESFXJTSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CN3CC[NH+](C)CC3)c2)CCO1 ZINC000109957361 488524772 /nfs/dbraw/zinc/52/47/72/488524772.db2.gz IVPZJJLPJQRMMC-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CN3CC[NH+](C)CC3)c2)CCO1 ZINC000109957361 488524774 /nfs/dbraw/zinc/52/47/74/488524774.db2.gz IVPZJJLPJQRMMC-QGZVFWFLSA-N 2 2 360.502 0.771 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CCOCC1 ZINC000261603845 488526929 /nfs/dbraw/zinc/52/69/29/488526929.db2.gz AIDUIROCUNKJGA-GOSISDBHSA-N 2 2 357.458 0.732 20 0 FCADLP C[N@H+](CCn1cccn1)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000111282607 488529259 /nfs/dbraw/zinc/52/92/59/488529259.db2.gz MGLQIUPJWFFHSJ-UHFFFAOYSA-N 2 2 363.506 0.966 20 0 FCADLP C[N@@H+](CCn1cccn1)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000111282607 488529261 /nfs/dbraw/zinc/52/92/61/488529261.db2.gz MGLQIUPJWFFHSJ-UHFFFAOYSA-N 2 2 363.506 0.966 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000111510044 488529583 /nfs/dbraw/zinc/52/95/83/488529583.db2.gz HEIWCGDOKYNHKF-KRWDZBQOSA-N 2 2 365.522 0.810 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000111510044 488529584 /nfs/dbraw/zinc/52/95/84/488529584.db2.gz HEIWCGDOKYNHKF-KRWDZBQOSA-N 2 2 365.522 0.810 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111559751 488530162 /nfs/dbraw/zinc/53/01/62/488530162.db2.gz MXDANBGFZWOVCC-MRXNPFEDSA-N 2 2 358.486 0.666 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000111559751 488530163 /nfs/dbraw/zinc/53/01/63/488530163.db2.gz MXDANBGFZWOVCC-MRXNPFEDSA-N 2 2 358.486 0.666 20 0 FCADLP C[NH+]1CCN(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000111577630 488530250 /nfs/dbraw/zinc/53/02/50/488530250.db2.gz OSGXNQGNJGMNFP-QGZVFWFLSA-N 2 2 359.474 0.322 20 0 FCADLP C[NH+]1CCN(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000111577630 488530252 /nfs/dbraw/zinc/53/02/52/488530252.db2.gz OSGXNQGNJGMNFP-QGZVFWFLSA-N 2 2 359.474 0.322 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000111813892 488531184 /nfs/dbraw/zinc/53/11/84/488531184.db2.gz LSZSHAJHEIIZDD-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP O=C(CC[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000261788489 488536099 /nfs/dbraw/zinc/53/60/99/488536099.db2.gz KDWQODUQBPNQDG-ZWKOTPCHSA-N 2 2 361.486 0.960 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000113504777 488538244 /nfs/dbraw/zinc/53/82/44/488538244.db2.gz BPNUKGXYYMOCJK-QGZVFWFLSA-N 2 2 362.474 0.961 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902368 488540891 /nfs/dbraw/zinc/54/08/91/488540891.db2.gz RVDVNYNMPDNKHH-UONOGXRCSA-N 2 2 365.503 0.686 20 0 FCADLP CN(C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1nccs1 ZINC000261902368 488540893 /nfs/dbraw/zinc/54/08/93/488540893.db2.gz RVDVNYNMPDNKHH-UONOGXRCSA-N 2 2 365.503 0.686 20 0 FCADLP C[N@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000114463974 488540973 /nfs/dbraw/zinc/54/09/73/488540973.db2.gz VRLBZIPTBNXPQP-UHFFFAOYSA-N 2 2 366.531 0.656 20 0 FCADLP C[N@@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000114463974 488540976 /nfs/dbraw/zinc/54/09/76/488540976.db2.gz VRLBZIPTBNXPQP-UHFFFAOYSA-N 2 2 366.531 0.656 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928219 488542736 /nfs/dbraw/zinc/54/27/36/488542736.db2.gz ZNSQKQBFJOHBEJ-NRFANRHFSA-N 2 2 372.513 0.936 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928219 488542737 /nfs/dbraw/zinc/54/27/37/488542737.db2.gz ZNSQKQBFJOHBEJ-NRFANRHFSA-N 2 2 372.513 0.936 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928219 488542738 /nfs/dbraw/zinc/54/27/38/488542738.db2.gz ZNSQKQBFJOHBEJ-NRFANRHFSA-N 3 2 372.513 0.936 20 0 FCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000261928219 488542740 /nfs/dbraw/zinc/54/27/40/488542740.db2.gz ZNSQKQBFJOHBEJ-NRFANRHFSA-N 3 2 372.513 0.936 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000262079992 488549578 /nfs/dbraw/zinc/54/95/78/488549578.db2.gz CHNNFGWERLNCRJ-QAPCUYQASA-N 2 2 363.458 0.391 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000118001525 488552844 /nfs/dbraw/zinc/55/28/44/488552844.db2.gz WFFKBZDBIOYWDM-IRXDYDNUSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000262266070 488560043 /nfs/dbraw/zinc/56/00/43/488560043.db2.gz YBBTURCZRGEJGK-HOTGVXAUSA-N 2 2 361.421 0.864 20 0 FCADLP COC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000262279360 488560836 /nfs/dbraw/zinc/56/08/36/488560836.db2.gz LLLHGGBVLJPOTC-HNNXBMFYSA-N 2 2 365.865 0.996 20 0 FCADLP COC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000262279360 488560838 /nfs/dbraw/zinc/56/08/38/488560838.db2.gz LLLHGGBVLJPOTC-HNNXBMFYSA-N 2 2 365.865 0.996 20 0 FCADLP CC(C)(C)CC[NH+]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)CC1 ZINC000262314438 488563249 /nfs/dbraw/zinc/56/32/49/488563249.db2.gz DGLOLRXBSANFDQ-UHFFFAOYSA-N 2 2 359.536 0.734 20 0 FCADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000562986146 491206202 /nfs/dbraw/zinc/20/62/02/491206202.db2.gz ADDCOQHCEJDRGU-MRXNPFEDSA-N 2 2 355.504 0.918 20 0 FCADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000562986146 491206204 /nfs/dbraw/zinc/20/62/04/491206204.db2.gz ADDCOQHCEJDRGU-MRXNPFEDSA-N 2 2 355.504 0.918 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cnn(C)c1 ZINC000262371113 488566468 /nfs/dbraw/zinc/56/64/68/488566468.db2.gz LQQBSWGJOMQRPS-KRWDZBQOSA-N 2 2 357.462 0.144 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000262489801 488573183 /nfs/dbraw/zinc/57/31/83/488573183.db2.gz WOWWIXRDBXDALJ-KGLIPLIRSA-N 2 2 368.503 0.222 20 0 FCADLP C[C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000122263822 488576700 /nfs/dbraw/zinc/57/67/00/488576700.db2.gz OTDXRLKDPCXBMN-GOSISDBHSA-N 2 2 373.545 0.686 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000122263822 488576705 /nfs/dbraw/zinc/57/67/05/488576705.db2.gz OTDXRLKDPCXBMN-GOSISDBHSA-N 2 2 373.545 0.686 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH2+]C)c2cnn(C)c2)CC1 ZINC000262617052 488582011 /nfs/dbraw/zinc/58/20/11/488582011.db2.gz ZEPJUBNEVKSFIH-KRWDZBQOSA-N 2 2 364.494 0.083 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH2+]C)c2cnn(C)c2)CC1 ZINC000262617052 488582012 /nfs/dbraw/zinc/58/20/12/488582012.db2.gz ZEPJUBNEVKSFIH-KRWDZBQOSA-N 2 2 364.494 0.083 20 0 FCADLP COC[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000262643047 488584247 /nfs/dbraw/zinc/58/42/47/488584247.db2.gz PWVRKUZBYLYOQF-MSOLQXFVSA-N 2 2 358.442 0.675 20 0 FCADLP COc1cc(OC)cc([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2[nH+]ccn2C)c1 ZINC000262679485 488585948 /nfs/dbraw/zinc/58/59/48/488585948.db2.gz WGDDOCADGLJVMX-HOTGVXAUSA-N 2 2 360.414 0.631 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123619406 488586681 /nfs/dbraw/zinc/58/66/81/488586681.db2.gz STWJRNDDAXNAMX-HOCLYGCPSA-N 2 2 359.536 0.732 20 0 FCADLP CCCCn1c2nc(C[N@H+](C)CCCn3cc[nH+]c3)n(C)c2c(=O)[nH]c1=O ZINC000124301868 488591305 /nfs/dbraw/zinc/59/13/05/488591305.db2.gz HWTHNXWVUWDBAY-UHFFFAOYSA-N 2 2 373.461 0.942 20 0 FCADLP CCCCn1c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)n(C)c2c(=O)[nH]c1=O ZINC000124301868 488591308 /nfs/dbraw/zinc/59/13/08/488591308.db2.gz HWTHNXWVUWDBAY-UHFFFAOYSA-N 2 2 373.461 0.942 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000124362135 488591583 /nfs/dbraw/zinc/59/15/83/488591583.db2.gz AVHABDYZZIWPEO-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C[NH2+]1 ZINC000272610250 488592156 /nfs/dbraw/zinc/59/21/56/488592156.db2.gz WBGNNHWIDOHELP-CVEARBPZSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000272610257 488592225 /nfs/dbraw/zinc/59/22/25/488592225.db2.gz WBGNNHWIDOHELP-JKSUJKDBSA-N 2 2 359.474 0.719 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263052660 488603784 /nfs/dbraw/zinc/60/37/84/488603784.db2.gz URYVVSKQZLEJRF-KSSFIOAISA-N 2 2 357.462 0.920 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125966554 488606025 /nfs/dbraw/zinc/60/60/25/488606025.db2.gz VAPAIPWSZMPWAS-QGZVFWFLSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125966554 488606026 /nfs/dbraw/zinc/60/60/26/488606026.db2.gz VAPAIPWSZMPWAS-QGZVFWFLSA-N 2 2 369.554 0.622 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000263698380 488619804 /nfs/dbraw/zinc/61/98/04/488619804.db2.gz ODRPOMFOWMOLKE-OAHLLOKOSA-N 2 2 362.478 0.735 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000263698380 488619805 /nfs/dbraw/zinc/61/98/05/488619805.db2.gz ODRPOMFOWMOLKE-OAHLLOKOSA-N 2 2 362.478 0.735 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000263712748 488621169 /nfs/dbraw/zinc/62/11/69/488621169.db2.gz DQNPTURICFWQSB-SFHVURJKSA-N 2 2 364.490 0.765 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000263712748 488621170 /nfs/dbraw/zinc/62/11/70/488621170.db2.gz DQNPTURICFWQSB-SFHVURJKSA-N 2 2 364.490 0.765 20 0 FCADLP COCC[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263712748 488621174 /nfs/dbraw/zinc/62/11/74/488621174.db2.gz DQNPTURICFWQSB-SFHVURJKSA-N 2 2 364.490 0.765 20 0 FCADLP COCC[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263712748 488621175 /nfs/dbraw/zinc/62/11/75/488621175.db2.gz DQNPTURICFWQSB-SFHVURJKSA-N 2 2 364.490 0.765 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000130351445 488637056 /nfs/dbraw/zinc/63/70/56/488637056.db2.gz YLKSBHZGLSIACV-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000130351445 488637059 /nfs/dbraw/zinc/63/70/59/488637059.db2.gz YLKSBHZGLSIACV-UHFFFAOYSA-N 2 2 365.459 0.800 20 0 FCADLP Cc1cccn2c(=O)cc(C[NH+]3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)nc12 ZINC000131161481 488643475 /nfs/dbraw/zinc/64/34/75/488643475.db2.gz CNAINOXJGLFEBZ-KRWDZBQOSA-N 2 2 369.469 0.917 20 0 FCADLP Cc1cccn2c(=O)cc(C[NH+]3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)nc12 ZINC000131161481 488643478 /nfs/dbraw/zinc/64/34/78/488643478.db2.gz CNAINOXJGLFEBZ-KRWDZBQOSA-N 2 2 369.469 0.917 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000264076241 488646933 /nfs/dbraw/zinc/64/69/33/488646933.db2.gz NNHXVJLCUOVZGH-HNNXBMFYSA-N 2 2 350.467 0.467 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000264153641 488650759 /nfs/dbraw/zinc/65/07/59/488650759.db2.gz SOFVYVPKAOTZEQ-UHFFFAOYSA-N 2 2 364.490 0.801 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000133109514 488657554 /nfs/dbraw/zinc/65/75/54/488657554.db2.gz JTQWAOZTAHHZSL-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000133109514 488657556 /nfs/dbraw/zinc/65/75/56/488657556.db2.gz JTQWAOZTAHHZSL-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550653 488660392 /nfs/dbraw/zinc/66/03/92/488660392.db2.gz NZWPMWSRIAVFPC-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550653 488660394 /nfs/dbraw/zinc/66/03/94/488660394.db2.gz NZWPMWSRIAVFPC-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102249 491215631 /nfs/dbraw/zinc/21/56/31/491215631.db2.gz ZRIFHMIODRTJRF-DOMZBBRYSA-N 2 2 366.487 0.112 20 0 FCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102249 491215632 /nfs/dbraw/zinc/21/56/32/491215632.db2.gz ZRIFHMIODRTJRF-DOMZBBRYSA-N 2 2 366.487 0.112 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133984891 488663001 /nfs/dbraw/zinc/66/30/01/488663001.db2.gz HBPZSWOOYTZOBY-MJGOQNOKSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133984891 488663003 /nfs/dbraw/zinc/66/30/03/488663003.db2.gz HBPZSWOOYTZOBY-MJGOQNOKSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000570097023 491216204 /nfs/dbraw/zinc/21/62/04/491216204.db2.gz XUWYXOGCWFVZHP-DOTOQJQBSA-N 2 2 358.486 0.758 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000570107495 491216783 /nfs/dbraw/zinc/21/67/83/491216783.db2.gz MIDMFNHYJOZTJN-MSOLQXFVSA-N 2 2 356.470 0.730 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000570107495 491216785 /nfs/dbraw/zinc/21/67/85/491216785.db2.gz MIDMFNHYJOZTJN-MSOLQXFVSA-N 2 2 356.470 0.730 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000274332858 488698912 /nfs/dbraw/zinc/69/89/12/488698912.db2.gz ZLAHSRCYOSFMCB-UHFFFAOYSA-N 2 2 365.459 0.752 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCc3[nH+]ccn3C)c2)CC1 ZINC000274486401 488712825 /nfs/dbraw/zinc/71/28/25/488712825.db2.gz GNDVQLNPNVKJNP-UHFFFAOYSA-N 2 2 370.457 0.817 20 0 FCADLP C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000153470534 488731317 /nfs/dbraw/zinc/73/13/17/488731317.db2.gz RPVAMDRMWFAKDG-KXBFYZLASA-N 2 2 366.481 0.765 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cn2)CC1 ZINC000563136356 491219376 /nfs/dbraw/zinc/21/93/76/491219376.db2.gz ZBGNXLHOGKUURN-QGZVFWFLSA-N 3 2 360.506 0.416 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cn2)CC1 ZINC000563136356 491219378 /nfs/dbraw/zinc/21/93/78/491219378.db2.gz ZBGNXLHOGKUURN-QGZVFWFLSA-N 3 2 360.506 0.416 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000154281446 488740911 /nfs/dbraw/zinc/74/09/11/488740911.db2.gz RCOLYJXUMYHHOQ-UHFFFAOYSA-N 2 2 361.486 0.953 20 0 FCADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCS(C)(=O)=O ZINC000154519022 488743950 /nfs/dbraw/zinc/74/39/50/488743950.db2.gz AWXLLUZBKGAKSS-UHFFFAOYSA-N 2 2 368.503 0.487 20 0 FCADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCS(C)(=O)=O ZINC000154519022 488743952 /nfs/dbraw/zinc/74/39/52/488743952.db2.gz AWXLLUZBKGAKSS-UHFFFAOYSA-N 2 2 368.503 0.487 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000266944683 488746753 /nfs/dbraw/zinc/74/67/53/488746753.db2.gz SCSKFMOWRFBVRM-MRXNPFEDSA-N 2 2 374.441 0.769 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000154765299 488747057 /nfs/dbraw/zinc/74/70/57/488747057.db2.gz AQNSVVYZZNXQGU-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000154765299 488747059 /nfs/dbraw/zinc/74/70/59/488747059.db2.gz AQNSVVYZZNXQGU-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000266954806 488747542 /nfs/dbraw/zinc/74/75/42/488747542.db2.gz VJNOZKKIXPUJLN-UHFFFAOYSA-N 2 2 370.457 0.958 20 0 FCADLP CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000570156669 491220405 /nfs/dbraw/zinc/22/04/05/491220405.db2.gz KAKRRZAKFUZQOO-QKGUJMCYSA-N 2 2 352.479 0.793 20 0 FCADLP CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000570156669 491220410 /nfs/dbraw/zinc/22/04/10/491220410.db2.gz KAKRRZAKFUZQOO-QKGUJMCYSA-N 2 2 352.479 0.793 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)ccn2)CC1 ZINC000155808521 488759302 /nfs/dbraw/zinc/75/93/02/488759302.db2.gz SKNAODRVXICYMG-IAGOWNOFSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)ccn2)CC1 ZINC000155808521 488759304 /nfs/dbraw/zinc/75/93/04/488759304.db2.gz SKNAODRVXICYMG-IAGOWNOFSA-N 2 2 374.489 0.058 20 0 FCADLP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000156277430 488763492 /nfs/dbraw/zinc/76/34/92/488763492.db2.gz WZFZUQQSFPSRHL-MRXNPFEDSA-N 2 2 367.538 0.960 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000156477808 488765347 /nfs/dbraw/zinc/76/53/47/488765347.db2.gz TYYZLNREKIPQJK-SFHVURJKSA-N 2 2 369.554 0.672 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000156477808 488765348 /nfs/dbraw/zinc/76/53/48/488765348.db2.gz TYYZLNREKIPQJK-SFHVURJKSA-N 2 2 369.554 0.672 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cnn(C)c2)CC1 ZINC000275168603 488768204 /nfs/dbraw/zinc/76/82/04/488768204.db2.gz KNJSHWDDTLYDMY-LJQANCHMSA-N 2 2 371.485 0.696 20 0 FCADLP Cn1c2ccccc2n(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1=O ZINC000267196933 488768958 /nfs/dbraw/zinc/76/89/58/488768958.db2.gz CJAUVLUWQNKBKM-UHFFFAOYSA-N 2 2 359.474 0.482 20 0 FCADLP Cn1cc([C@@H](CO)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000275199678 488771704 /nfs/dbraw/zinc/77/17/04/488771704.db2.gz QDHVZOXWBBHQOX-MRXNPFEDSA-N 2 2 358.446 0.177 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CCSC1 ZINC000267254011 488772718 /nfs/dbraw/zinc/77/27/18/488772718.db2.gz BYZDJVIBWXJEDK-QGZVFWFLSA-N 2 2 374.470 0.759 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158063157 488775326 /nfs/dbraw/zinc/77/53/26/488775326.db2.gz HCXMPHNPCGBNOG-KRWDZBQOSA-N 2 2 359.470 0.580 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158063157 488775328 /nfs/dbraw/zinc/77/53/28/488775328.db2.gz HCXMPHNPCGBNOG-KRWDZBQOSA-N 2 2 359.470 0.580 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCN(c4ccccn4)CC3)cn2)CC1 ZINC000158896089 488781471 /nfs/dbraw/zinc/78/14/71/488781471.db2.gz QTUPTNMXYWNZGL-UHFFFAOYSA-N 2 2 353.474 0.946 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000267505919 488792151 /nfs/dbraw/zinc/79/21/51/488792151.db2.gz HCWQEOXLGYFXJS-MRXNPFEDSA-N 2 2 371.441 0.863 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000267505919 488792154 /nfs/dbraw/zinc/79/21/54/488792154.db2.gz HCWQEOXLGYFXJS-MRXNPFEDSA-N 2 2 371.441 0.863 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000267536335 488794941 /nfs/dbraw/zinc/79/49/41/488794941.db2.gz WAEJJWHVHFRSFU-CQSZACIVSA-N 2 2 358.450 0.200 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000267558988 488797764 /nfs/dbraw/zinc/79/77/64/488797764.db2.gz AAWHYUQXSWZCCO-OAHLLOKOSA-N 2 2 351.451 0.218 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C)C[NH2+]C)c2)CC1 ZINC000163583505 488808652 /nfs/dbraw/zinc/80/86/52/488808652.db2.gz AETOOEAXPHUGKR-CQSZACIVSA-N 2 2 368.503 0.807 20 0 FCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168176672 488812500 /nfs/dbraw/zinc/81/25/00/488812500.db2.gz VFBHICKNKIOECH-HUUCEWRRSA-N 2 2 353.488 0.958 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000170921038 488818145 /nfs/dbraw/zinc/81/81/45/488818145.db2.gz ITQXVAYJDHKIDF-MSOLQXFVSA-N 2 2 362.474 0.690 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000170921038 488818146 /nfs/dbraw/zinc/81/81/46/488818146.db2.gz ITQXVAYJDHKIDF-MSOLQXFVSA-N 2 2 362.474 0.690 20 0 FCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574045 488823991 /nfs/dbraw/zinc/82/39/91/488823991.db2.gz XGDQFBRSEKVCEY-GJZGRUSLSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171574045 488823993 /nfs/dbraw/zinc/82/39/93/488823993.db2.gz XGDQFBRSEKVCEY-GJZGRUSLSA-N 2 2 364.515 0.978 20 0 FCADLP CCC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000171678213 488826086 /nfs/dbraw/zinc/82/60/86/488826086.db2.gz NIPPMZNWNDSLID-UHFFFAOYSA-N 2 2 357.462 0.886 20 0 FCADLP CCC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000171678213 488826087 /nfs/dbraw/zinc/82/60/87/488826087.db2.gz NIPPMZNWNDSLID-UHFFFAOYSA-N 2 2 357.462 0.886 20 0 FCADLP CC[C@@H](C)C[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171948871 488829073 /nfs/dbraw/zinc/82/90/73/488829073.db2.gz ARNOMSFFQPMZIS-CQSZACIVSA-N 2 2 359.478 0.990 20 0 FCADLP CC[C@@H](C)C[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000171948871 488829075 /nfs/dbraw/zinc/82/90/75/488829075.db2.gz ARNOMSFFQPMZIS-CQSZACIVSA-N 2 2 359.478 0.990 20 0 FCADLP O=C1OCC[C@@H]1CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000267974349 488831822 /nfs/dbraw/zinc/83/18/22/488831822.db2.gz VQYOTDNGTWXKHA-HNNXBMFYSA-N 2 2 361.446 0.388 20 0 FCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc3[nH+]ccn3c2)cn1 ZINC000172708834 488836796 /nfs/dbraw/zinc/83/67/96/488836796.db2.gz ZEHLYGRSTAKOPW-UHFFFAOYSA-N 2 2 355.402 0.461 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000172815236 488838577 /nfs/dbraw/zinc/83/85/77/488838577.db2.gz BODTVSDOSJZVQX-WMZOPIPTSA-N 2 2 373.501 0.697 20 0 FCADLP CCC(CC)[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC000173074302 488840777 /nfs/dbraw/zinc/84/07/77/488840777.db2.gz MDXYVGGTAOAEES-SFHVURJKSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000173708720 488844813 /nfs/dbraw/zinc/84/48/13/488844813.db2.gz WCNFNMBIBROBOQ-DLBZAZTESA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000173708720 488844814 /nfs/dbraw/zinc/84/48/14/488844814.db2.gz WCNFNMBIBROBOQ-DLBZAZTESA-N 2 2 360.506 0.627 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000174280676 488848332 /nfs/dbraw/zinc/84/83/32/488848332.db2.gz SXEZMYXHZHTZQY-QGZVFWFLSA-N 2 2 356.511 0.707 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000174691372 488850666 /nfs/dbraw/zinc/85/06/66/488850666.db2.gz WHWNEUGODYXJKK-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000174691372 488850667 /nfs/dbraw/zinc/85/06/67/488850667.db2.gz WHWNEUGODYXJKK-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000174691372 488850668 /nfs/dbraw/zinc/85/06/68/488850668.db2.gz WHWNEUGODYXJKK-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000174691372 488850669 /nfs/dbraw/zinc/85/06/69/488850669.db2.gz WHWNEUGODYXJKK-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)c2ccc(F)cc2F)CC1 ZINC000174995695 488852656 /nfs/dbraw/zinc/85/26/56/488852656.db2.gz RAGHYOBMWJVNGC-UHFFFAOYSA-N 2 2 368.428 0.837 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000175650380 488854733 /nfs/dbraw/zinc/85/47/33/488854733.db2.gz FUCXXQOJEUOJLX-SQNIBIBYSA-N 2 2 368.522 0.705 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000175711026 488854921 /nfs/dbraw/zinc/85/49/21/488854921.db2.gz XCEPXWDXGVIDPV-SFHVURJKSA-N 2 2 364.490 0.453 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000175711026 488854922 /nfs/dbraw/zinc/85/49/22/488854922.db2.gz XCEPXWDXGVIDPV-SFHVURJKSA-N 2 2 364.490 0.453 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177769593 488859791 /nfs/dbraw/zinc/85/97/91/488859791.db2.gz QRNYRHYZSUKUQV-UHFFFAOYSA-N 2 2 370.457 0.784 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179319386 488861062 /nfs/dbraw/zinc/86/10/62/488861062.db2.gz LDMYAFWNHMATRC-GOSISDBHSA-N 3 2 369.554 0.765 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC(C)(CO)CO ZINC000179563147 488861511 /nfs/dbraw/zinc/86/15/11/488861511.db2.gz VYPNLPPAHWMIQW-HNNXBMFYSA-N 2 2 350.463 0.041 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC(C)(CO)CO ZINC000179563147 488861512 /nfs/dbraw/zinc/86/15/12/488861512.db2.gz VYPNLPPAHWMIQW-HNNXBMFYSA-N 2 2 350.463 0.041 20 0 FCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936553 488862534 /nfs/dbraw/zinc/86/25/34/488862534.db2.gz WJUOQSQPRLTHJK-UHFFFAOYSA-N 2 2 350.511 0.336 20 0 FCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936553 488862535 /nfs/dbraw/zinc/86/25/35/488862535.db2.gz WJUOQSQPRLTHJK-UHFFFAOYSA-N 2 2 350.511 0.336 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)Cc1cnn(C)c1 ZINC000180936553 488862536 /nfs/dbraw/zinc/86/25/36/488862536.db2.gz WJUOQSQPRLTHJK-UHFFFAOYSA-N 2 2 350.511 0.336 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)Cc1cnn(C)c1 ZINC000180936553 488862537 /nfs/dbraw/zinc/86/25/37/488862537.db2.gz WJUOQSQPRLTHJK-UHFFFAOYSA-N 2 2 350.511 0.336 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000364677952 488985037 /nfs/dbraw/zinc/98/50/37/488985037.db2.gz OYIYIMIQDYDYFT-MOPGFXCFSA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000364677952 488985040 /nfs/dbraw/zinc/98/50/40/488985040.db2.gz OYIYIMIQDYDYFT-MOPGFXCFSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000364677952 488985041 /nfs/dbraw/zinc/98/50/41/488985041.db2.gz OYIYIMIQDYDYFT-MOPGFXCFSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCOC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000364677952 488985045 /nfs/dbraw/zinc/98/50/45/488985045.db2.gz OYIYIMIQDYDYFT-MOPGFXCFSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334822 488994193 /nfs/dbraw/zinc/99/41/93/488994193.db2.gz KXMWMNUGYAGWSO-QAPCUYQASA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000329334822 488994197 /nfs/dbraw/zinc/99/41/97/488994197.db2.gz KXMWMNUGYAGWSO-QAPCUYQASA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329334822 488994200 /nfs/dbraw/zinc/99/42/00/488994200.db2.gz KXMWMNUGYAGWSO-QAPCUYQASA-N 2 2 353.507 0.933 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329334822 488994203 /nfs/dbraw/zinc/99/42/03/488994203.db2.gz KXMWMNUGYAGWSO-QAPCUYQASA-N 2 2 353.507 0.933 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364733050 488994311 /nfs/dbraw/zinc/99/43/11/488994311.db2.gz IGVGRXGIPQWLAU-SJORKVTESA-N 2 2 354.495 0.651 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000364733050 488994312 /nfs/dbraw/zinc/99/43/12/488994312.db2.gz IGVGRXGIPQWLAU-SJORKVTESA-N 2 2 354.495 0.651 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2)c1 ZINC000563203012 491226863 /nfs/dbraw/zinc/22/68/63/491226863.db2.gz QYNGNFNNRFSBPD-IBGZPJMESA-N 3 2 359.518 0.608 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2)c1 ZINC000563203012 491226867 /nfs/dbraw/zinc/22/68/67/491226867.db2.gz QYNGNFNNRFSBPD-IBGZPJMESA-N 3 2 359.518 0.608 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)COC4)C2)CC1 ZINC000364759659 488998990 /nfs/dbraw/zinc/99/89/90/488998990.db2.gz UCEUHDJFGFTICH-KRWDZBQOSA-N 2 2 372.469 0.940 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)COC4)C2)CC1 ZINC000364759659 488998992 /nfs/dbraw/zinc/99/89/92/488998992.db2.gz UCEUHDJFGFTICH-KRWDZBQOSA-N 2 2 372.469 0.940 20 0 FCADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC000329395967 489000682 /nfs/dbraw/zinc/00/06/82/489000682.db2.gz UGLFTATXDDFENG-CVEARBPZSA-N 2 2 359.536 0.337 20 0 FCADLP O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329457091 489005771 /nfs/dbraw/zinc/00/57/71/489005771.db2.gz QMTIOQWKYYXPPA-AWEZNQCLSA-N 2 2 372.429 0.197 20 0 FCADLP O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329457091 489005773 /nfs/dbraw/zinc/00/57/73/489005773.db2.gz QMTIOQWKYYXPPA-AWEZNQCLSA-N 2 2 372.429 0.197 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)CC1 ZINC000364861110 489010977 /nfs/dbraw/zinc/01/09/77/489010977.db2.gz PJTLPEAEQWVNDE-IAGOWNOFSA-N 2 2 360.506 1.284 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509101 489011088 /nfs/dbraw/zinc/01/10/88/489011088.db2.gz JONJWUMCOHVJPL-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509101 489011091 /nfs/dbraw/zinc/01/10/91/489011091.db2.gz JONJWUMCOHVJPL-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509101 489011093 /nfs/dbraw/zinc/01/10/93/489011093.db2.gz JONJWUMCOHVJPL-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1C ZINC000329509101 489011095 /nfs/dbraw/zinc/01/10/95/489011095.db2.gz JONJWUMCOHVJPL-SJORKVTESA-N 2 2 360.506 0.930 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000563215756 491228415 /nfs/dbraw/zinc/22/84/15/491228415.db2.gz SEDLESANKDXTDD-SFHVURJKSA-N 3 2 372.517 0.100 20 0 FCADLP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000563215756 491228416 /nfs/dbraw/zinc/22/84/16/491228416.db2.gz SEDLESANKDXTDD-SFHVURJKSA-N 3 2 372.517 0.100 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000563220881 491228469 /nfs/dbraw/zinc/22/84/69/491228469.db2.gz CXVYFLRNUDHHSI-UHFFFAOYSA-N 2 2 363.487 0.844 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@]1(CO)CCOC1 ZINC000329683956 489026532 /nfs/dbraw/zinc/02/65/32/489026532.db2.gz XWTFQSGBWDTMQR-QGZVFWFLSA-N 2 2 353.488 0.476 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@]1(CO)CCOC1 ZINC000329683956 489026536 /nfs/dbraw/zinc/02/65/36/489026536.db2.gz XWTFQSGBWDTMQR-QGZVFWFLSA-N 2 2 353.488 0.476 20 0 FCADLP C[C@@H]1C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000329910923 489048927 /nfs/dbraw/zinc/04/89/27/489048927.db2.gz AEVMQUBHNXYQHE-CVEARBPZSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329929926 489051717 /nfs/dbraw/zinc/05/17/17/489051717.db2.gz NXTASQMJPQEZJS-KKUMJFAQSA-N 2 2 353.442 0.122 20 0 FCADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329929926 489051719 /nfs/dbraw/zinc/05/17/19/489051719.db2.gz NXTASQMJPQEZJS-KKUMJFAQSA-N 2 2 353.442 0.122 20 0 FCADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)n1cncn1 ZINC000281087443 489052878 /nfs/dbraw/zinc/05/28/78/489052878.db2.gz VACGDOKKSLZUQN-MRXNPFEDSA-N 2 2 358.494 0.994 20 0 FCADLP O=C(C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)N1CCNC(=O)C1 ZINC000289282535 489055794 /nfs/dbraw/zinc/05/57/94/489055794.db2.gz GJJPJHYQRWLWMK-UHFFFAOYSA-N 2 2 353.426 0.315 20 0 FCADLP O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000330042963 489063757 /nfs/dbraw/zinc/06/37/57/489063757.db2.gz ADHWCTDNWLWKST-UHFFFAOYSA-N 2 2 373.482 0.946 20 0 FCADLP O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000330042963 489063760 /nfs/dbraw/zinc/06/37/60/489063760.db2.gz ADHWCTDNWLWKST-UHFFFAOYSA-N 2 2 373.482 0.946 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000365363703 489068381 /nfs/dbraw/zinc/06/83/81/489068381.db2.gz PQVJOSMVBMWBNS-DLBZAZTESA-N 2 2 363.458 0.391 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281351538 489068796 /nfs/dbraw/zinc/06/87/96/489068796.db2.gz ZRDALBFXNYFYGS-LJQANCHMSA-N 2 2 359.474 0.578 20 0 FCADLP CNC(=O)[C@]1(C)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281351538 489068800 /nfs/dbraw/zinc/06/88/00/489068800.db2.gz ZRDALBFXNYFYGS-LJQANCHMSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000330103470 489069105 /nfs/dbraw/zinc/06/91/05/489069105.db2.gz GVNLQQWDQDQGFX-QGZVFWFLSA-N 2 2 369.473 0.443 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000330103470 489069109 /nfs/dbraw/zinc/06/91/09/489069109.db2.gz GVNLQQWDQDQGFX-QGZVFWFLSA-N 2 2 369.473 0.443 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000365380582 489070017 /nfs/dbraw/zinc/07/00/17/489070017.db2.gz NMXJXHQLTMMMMW-NVXWUHKLSA-N 2 2 369.535 0.714 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000365380582 489070020 /nfs/dbraw/zinc/07/00/20/489070020.db2.gz NMXJXHQLTMMMMW-NVXWUHKLSA-N 2 2 369.535 0.714 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)nc1 ZINC000330115060 489070197 /nfs/dbraw/zinc/07/01/97/489070197.db2.gz FKCXCBKURWKOGG-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)nc1 ZINC000330115060 489070201 /nfs/dbraw/zinc/07/02/01/489070201.db2.gz FKCXCBKURWKOGG-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000330115060 489070206 /nfs/dbraw/zinc/07/02/06/489070206.db2.gz FKCXCBKURWKOGG-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000330115060 489070210 /nfs/dbraw/zinc/07/02/10/489070210.db2.gz FKCXCBKURWKOGG-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000289583470 489079108 /nfs/dbraw/zinc/07/91/08/489079108.db2.gz DYAXEMWRDJGRDN-YOEHRIQHSA-N 2 2 353.488 0.758 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365584452 489090487 /nfs/dbraw/zinc/09/04/87/489090487.db2.gz MHCVDRLFJXUPPT-CVEARBPZSA-N 2 2 352.479 0.092 20 0 FCADLP COCC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330458685 489104940 /nfs/dbraw/zinc/10/49/40/489104940.db2.gz PORSOKJZEWZXNP-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CN(C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000330518191 489111118 /nfs/dbraw/zinc/11/11/18/489111118.db2.gz MXDVNLOUPFNVMD-HNNXBMFYSA-N 2 2 360.524 0.183 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000290279467 489127164 /nfs/dbraw/zinc/12/71/64/489127164.db2.gz WZUJYWRAZWFSBT-ZFWWWQNUSA-N 2 2 357.462 0.646 20 0 FCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000290279464 489127168 /nfs/dbraw/zinc/12/71/68/489127168.db2.gz WZUJYWRAZWFSBT-UKRRQHHQSA-N 2 2 357.462 0.646 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000554981837 491234700 /nfs/dbraw/zinc/23/47/00/491234700.db2.gz WSXFDXFEPPCSCN-MRXNPFEDSA-N 2 2 358.446 0.528 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000554981837 491234702 /nfs/dbraw/zinc/23/47/02/491234702.db2.gz WSXFDXFEPPCSCN-MRXNPFEDSA-N 2 2 358.446 0.528 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000570337253 491234870 /nfs/dbraw/zinc/23/48/70/491234870.db2.gz SQQPNNJTWHXUSD-OAHLLOKOSA-N 2 2 358.446 0.921 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)CC1 ZINC000366053849 489139417 /nfs/dbraw/zinc/13/94/17/489139417.db2.gz TUJDDZUPRBOAHM-WOJBJXKFSA-N 2 2 372.513 0.908 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000290473797 489142947 /nfs/dbraw/zinc/14/29/47/489142947.db2.gz NHTSSCCZJKEOPH-HNNXBMFYSA-N 2 2 358.446 0.921 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290474165 489143267 /nfs/dbraw/zinc/14/32/67/489143267.db2.gz LXBMPNSNJCZLQV-MRXNPFEDSA-N 2 2 359.474 0.577 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366120772 489147806 /nfs/dbraw/zinc/14/78/06/489147806.db2.gz UJGZSYXIDBUOLF-MRXNPFEDSA-N 2 2 362.474 0.489 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366120772 489147809 /nfs/dbraw/zinc/14/78/09/489147809.db2.gz UJGZSYXIDBUOLF-MRXNPFEDSA-N 2 2 362.474 0.489 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366373867 489175227 /nfs/dbraw/zinc/17/52/27/489175227.db2.gz NUWDHDYFVQRCPH-MSOLQXFVSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366373867 489175229 /nfs/dbraw/zinc/17/52/29/489175229.db2.gz NUWDHDYFVQRCPH-MSOLQXFVSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCCOC2)O1 ZINC000366480915 489187986 /nfs/dbraw/zinc/18/79/86/489187986.db2.gz FDUIQYRPQHCFGX-APWZRJJASA-N 2 2 361.490 0.998 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@]2(CCCOC2)O1 ZINC000366480915 489187988 /nfs/dbraw/zinc/18/79/88/489187988.db2.gz FDUIQYRPQHCFGX-APWZRJJASA-N 2 2 361.490 0.998 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000331373614 489202991 /nfs/dbraw/zinc/20/29/91/489202991.db2.gz CUJFQGXBULMIAK-QEOTZNIISA-N 2 2 366.506 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H](C)O1 ZINC000331373614 489202996 /nfs/dbraw/zinc/20/29/96/489202996.db2.gz CUJFQGXBULMIAK-QEOTZNIISA-N 2 2 366.506 0.140 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000283063882 489211906 /nfs/dbraw/zinc/21/19/06/489211906.db2.gz BEMZKSZWIKOYEV-GJZGRUSLSA-N 2 2 351.451 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000297592736 489212031 /nfs/dbraw/zinc/21/20/31/489212031.db2.gz CNKKBPQDVXIQIU-IYBDPMFKSA-N 2 2 365.478 0.299 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000297592736 489212035 /nfs/dbraw/zinc/21/20/35/489212035.db2.gz CNKKBPQDVXIQIU-IYBDPMFKSA-N 2 2 365.478 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC([NH+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000563365557 491239793 /nfs/dbraw/zinc/23/97/93/491239793.db2.gz ULELSNYHMFLCSI-IMBTUZDBSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCC([NH+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000563365557 491239796 /nfs/dbraw/zinc/23/97/96/491239796.db2.gz ULELSNYHMFLCSI-IMBTUZDBSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000563365557 491239800 /nfs/dbraw/zinc/23/98/00/491239800.db2.gz ULELSNYHMFLCSI-IMBTUZDBSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000563365557 491239801 /nfs/dbraw/zinc/23/98/01/491239801.db2.gz ULELSNYHMFLCSI-IMBTUZDBSA-N 2 2 355.523 0.642 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)CC2)cc[nH+]1 ZINC000332565568 489221297 /nfs/dbraw/zinc/22/12/97/489221297.db2.gz WYOIPUWBFZJNQL-MRXNPFEDSA-N 2 2 374.489 0.232 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)CC2)cc[nH+]1 ZINC000332565568 489221298 /nfs/dbraw/zinc/22/12/98/489221298.db2.gz WYOIPUWBFZJNQL-MRXNPFEDSA-N 2 2 374.489 0.232 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000332773285 489227962 /nfs/dbraw/zinc/22/79/62/489227962.db2.gz GJHNTVZWHDIWMI-KZNAEPCWSA-N 2 2 353.507 0.837 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000332773285 489227966 /nfs/dbraw/zinc/22/79/66/489227966.db2.gz GJHNTVZWHDIWMI-KZNAEPCWSA-N 2 2 353.507 0.837 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000283224214 489229173 /nfs/dbraw/zinc/22/91/73/489229173.db2.gz BMCINLFSJRDVQK-UHFFFAOYSA-N 2 2 369.469 0.952 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000283224214 489229177 /nfs/dbraw/zinc/22/91/77/489229177.db2.gz BMCINLFSJRDVQK-UHFFFAOYSA-N 2 2 369.469 0.952 20 0 FCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000332780310 489229388 /nfs/dbraw/zinc/22/93/88/489229388.db2.gz FMTLZRGSVORLPT-JKSUJKDBSA-N 2 2 364.515 0.897 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369356840 489230245 /nfs/dbraw/zinc/23/02/45/489230245.db2.gz ZADGKGKRSAREJA-HOTGVXAUSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356840 489230246 /nfs/dbraw/zinc/23/02/46/489230246.db2.gz ZADGKGKRSAREJA-HOTGVXAUSA-N 2 2 353.511 0.569 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233779 489231101 /nfs/dbraw/zinc/23/11/01/489231101.db2.gz CEZJBXAMUCQZHB-HOCLYGCPSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233779 489231102 /nfs/dbraw/zinc/23/11/02/489231102.db2.gz CEZJBXAMUCQZHB-HOCLYGCPSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233772 489231308 /nfs/dbraw/zinc/23/13/08/489231308.db2.gz CEZJBXAMUCQZHB-GOEBONIOSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000283233772 489231311 /nfs/dbraw/zinc/23/13/11/489231311.db2.gz CEZJBXAMUCQZHB-GOEBONIOSA-N 2 2 355.442 0.893 20 0 FCADLP CCc1ccc([C@@H](CNC(=O)C(=O)NCCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000283239602 489232121 /nfs/dbraw/zinc/23/21/21/489232121.db2.gz CPTFDRGCKDJCAG-QGZVFWFLSA-N 2 2 357.458 0.981 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283260039 489234499 /nfs/dbraw/zinc/23/44/99/489234499.db2.gz BSRFEUPSRUDISN-MRXNPFEDSA-N 2 2 355.442 0.769 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283260039 489234500 /nfs/dbraw/zinc/23/45/00/489234500.db2.gz BSRFEUPSRUDISN-MRXNPFEDSA-N 2 2 355.442 0.769 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000283262952 489235377 /nfs/dbraw/zinc/23/53/77/489235377.db2.gz ASLKQFDJYMJNCX-HNNXBMFYSA-N 2 2 359.430 0.854 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000283280107 489238182 /nfs/dbraw/zinc/23/81/82/489238182.db2.gz GNNAAYSMDPIKAT-SFHVURJKSA-N 2 2 369.469 0.680 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000283280107 489238187 /nfs/dbraw/zinc/23/81/87/489238187.db2.gz GNNAAYSMDPIKAT-SFHVURJKSA-N 2 2 369.469 0.680 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283296687 489240598 /nfs/dbraw/zinc/24/05/98/489240598.db2.gz CUSVNZINOMSSHK-UHFFFAOYSA-N 2 2 361.446 0.078 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283296687 489240600 /nfs/dbraw/zinc/24/06/00/489240600.db2.gz CUSVNZINOMSSHK-UHFFFAOYSA-N 2 2 361.446 0.078 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283295987 489240938 /nfs/dbraw/zinc/24/09/38/489240938.db2.gz HQOOAQPAGNASPT-AWEZNQCLSA-N 2 2 361.471 0.966 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369462976 489241235 /nfs/dbraw/zinc/24/12/35/489241235.db2.gz NCGUHZRTZMHYFU-SJORKVTESA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369462976 489241236 /nfs/dbraw/zinc/24/12/36/489241236.db2.gz NCGUHZRTZMHYFU-SJORKVTESA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000297809681 489244639 /nfs/dbraw/zinc/24/46/39/489244639.db2.gz LMGXVDZMJGQGBR-BRWVUGGUSA-N 2 2 357.458 0.765 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCCOC2)O1 ZINC000332971026 489252766 /nfs/dbraw/zinc/25/27/66/489252766.db2.gz CTGDIUPIBNBREZ-HNAYVOBHSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@]2(CCCOC2)O1 ZINC000332971026 489252768 /nfs/dbraw/zinc/25/27/68/489252768.db2.gz CTGDIUPIBNBREZ-HNAYVOBHSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000297861960 489253229 /nfs/dbraw/zinc/25/32/29/489253229.db2.gz VWHFBANXVLLBFR-WBVHZDCISA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208190 489258847 /nfs/dbraw/zinc/25/88/47/489258847.db2.gz BBMLYUCPIHTCMM-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@H+]1C ZINC000333208190 489258851 /nfs/dbraw/zinc/25/88/51/489258851.db2.gz BBMLYUCPIHTCMM-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208190 489258854 /nfs/dbraw/zinc/25/88/54/489258854.db2.gz BBMLYUCPIHTCMM-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208190 489258856 /nfs/dbraw/zinc/25/88/56/489258856.db2.gz BBMLYUCPIHTCMM-KFWWJZLASA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000297932887 489264661 /nfs/dbraw/zinc/26/46/61/489264661.db2.gz DTELJDRHQWLEAV-NCOADZHNSA-N 2 2 359.474 0.988 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000297932887 489264664 /nfs/dbraw/zinc/26/46/64/489264664.db2.gz DTELJDRHQWLEAV-NCOADZHNSA-N 2 2 359.474 0.988 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297934212 489264838 /nfs/dbraw/zinc/26/48/38/489264838.db2.gz SMWZNVVANKZNAV-UHFFFAOYSA-N 2 2 370.457 0.784 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000283492184 489265439 /nfs/dbraw/zinc/26/54/39/489265439.db2.gz JSCSTFSYKFETTJ-UHFFFAOYSA-N 2 2 358.486 0.537 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000297963816 489269705 /nfs/dbraw/zinc/26/97/05/489269705.db2.gz VVBWVGCDFAPJGQ-JTDSTZFVSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000297963816 489269707 /nfs/dbraw/zinc/26/97/07/489269707.db2.gz VVBWVGCDFAPJGQ-JTDSTZFVSA-N 2 2 359.474 0.847 20 0 FCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000563409642 491243135 /nfs/dbraw/zinc/24/31/35/491243135.db2.gz BOFRBUQTJALOPG-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP COCCOC[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790939 489275956 /nfs/dbraw/zinc/27/59/56/489275956.db2.gz PCJKFXOXQKFJJF-DLBZAZTESA-N 2 2 368.522 0.849 20 0 FCADLP COCCOC[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790939 489275957 /nfs/dbraw/zinc/27/59/57/489275957.db2.gz PCJKFXOXQKFJJF-DLBZAZTESA-N 2 2 368.522 0.849 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000570529629 491247901 /nfs/dbraw/zinc/24/79/01/491247901.db2.gz XDLLZAHLWCRMIE-HUUCEWRRSA-N 2 2 354.414 0.863 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184899 489325097 /nfs/dbraw/zinc/32/50/97/489325097.db2.gz OFUQRUZUWCMSLR-CABCVRRESA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000370184899 489325100 /nfs/dbraw/zinc/32/51/00/489325100.db2.gz OFUQRUZUWCMSLR-CABCVRRESA-N 2 2 365.522 0.854 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209889 489328033 /nfs/dbraw/zinc/32/80/33/489328033.db2.gz LNVNCMHQFBRGDS-QAPCUYQASA-N 2 2 357.458 0.859 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209889 489328035 /nfs/dbraw/zinc/32/80/35/489328035.db2.gz LNVNCMHQFBRGDS-QAPCUYQASA-N 2 2 357.458 0.859 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000285918676 489333470 /nfs/dbraw/zinc/33/34/70/489333470.db2.gz KOPLJEHFEPBRHJ-HNNXBMFYSA-N 2 2 365.478 0.651 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000285918676 489333473 /nfs/dbraw/zinc/33/34/73/489333473.db2.gz KOPLJEHFEPBRHJ-HNNXBMFYSA-N 2 2 365.478 0.651 20 0 FCADLP C[NH2+][C@@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000286065310 489352323 /nfs/dbraw/zinc/35/23/23/489352323.db2.gz LZVZOSGOKLHJNH-LJQANCHMSA-N 2 2 370.501 0.961 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000298823108 489370425 /nfs/dbraw/zinc/37/04/25/489370425.db2.gz USGPBTLPMJNWKK-UHFFFAOYSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000298823108 489370427 /nfs/dbraw/zinc/37/04/27/489370427.db2.gz USGPBTLPMJNWKK-UHFFFAOYSA-N 2 2 359.474 0.673 20 0 FCADLP C[N@@H+]1CCN(CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236334 489372017 /nfs/dbraw/zinc/37/20/17/489372017.db2.gz UNWSJFBDSDQLLH-OALUTQOASA-N 2 2 360.502 0.860 20 0 FCADLP C[N@H+]1CCN(CCCNC(=O)C[C@H]2COCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000286236334 489372020 /nfs/dbraw/zinc/37/20/20/489372020.db2.gz UNWSJFBDSDQLLH-OALUTQOASA-N 2 2 360.502 0.860 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCO1 ZINC000563559414 491254793 /nfs/dbraw/zinc/25/47/93/491254793.db2.gz DXSLBFIQSHZRGS-QZTJIDSGSA-N 2 2 362.474 0.819 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000362711394 489393725 /nfs/dbraw/zinc/39/37/25/489393725.db2.gz PPDOJXSCLRKTLQ-CQSZACIVSA-N 2 2 358.442 0.916 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000362711394 489393728 /nfs/dbraw/zinc/39/37/28/489393728.db2.gz PPDOJXSCLRKTLQ-CQSZACIVSA-N 2 2 358.442 0.916 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000362787482 489397475 /nfs/dbraw/zinc/39/74/75/489397475.db2.gz ISSRLTOPSJIZMU-SFHVURJKSA-N 2 2 352.523 0.585 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000362787482 489397478 /nfs/dbraw/zinc/39/74/78/489397478.db2.gz ISSRLTOPSJIZMU-SFHVURJKSA-N 2 2 352.523 0.585 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000362787480 489397748 /nfs/dbraw/zinc/39/77/48/489397748.db2.gz ISSRLTOPSJIZMU-GOSISDBHSA-N 2 2 352.523 0.585 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000362787480 489397754 /nfs/dbraw/zinc/39/77/54/489397754.db2.gz ISSRLTOPSJIZMU-GOSISDBHSA-N 2 2 352.523 0.585 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]CC2(C)COC2)CC1 ZINC000286522657 489400374 /nfs/dbraw/zinc/40/03/74/489400374.db2.gz NHAQWTZBLMBWHZ-UHFFFAOYSA-N 2 2 353.488 0.749 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000362921085 489405150 /nfs/dbraw/zinc/40/51/50/489405150.db2.gz YEJMYBAJPFLWSF-KRWDZBQOSA-N 2 2 354.495 0.143 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+]1CCOCC1 ZINC000362921085 489405152 /nfs/dbraw/zinc/40/51/52/489405152.db2.gz YEJMYBAJPFLWSF-KRWDZBQOSA-N 2 2 354.495 0.143 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370809174 489405727 /nfs/dbraw/zinc/40/57/27/489405727.db2.gz FPJODYQFVQEZOT-GOSISDBHSA-N 2 2 373.501 0.573 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000286591165 489407131 /nfs/dbraw/zinc/40/71/31/489407131.db2.gz HUICYAXURKKWFW-INIZCTEOSA-N 2 2 355.442 0.817 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000286591165 489407134 /nfs/dbraw/zinc/40/71/34/489407134.db2.gz HUICYAXURKKWFW-INIZCTEOSA-N 2 2 355.442 0.817 20 0 FCADLP CN(C(=O)CNC(=O)Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829663 489408586 /nfs/dbraw/zinc/40/85/86/489408586.db2.gz HYPKTUZVFWSNEX-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP CN(C(=O)CNC(=O)Cc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829663 489408587 /nfs/dbraw/zinc/40/85/87/489408587.db2.gz HYPKTUZVFWSNEX-LJQANCHMSA-N 2 2 372.513 0.972 20 0 FCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)cn1 ZINC000363058711 489417582 /nfs/dbraw/zinc/41/75/82/489417582.db2.gz UZIHJNDJRPYZBV-SJLPKXTDSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)cn1 ZINC000363058711 489417583 /nfs/dbraw/zinc/41/75/83/489417583.db2.gz UZIHJNDJRPYZBV-SJLPKXTDSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1cc(N2CCC[C@H]([NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)cn1 ZINC000363058709 489417789 /nfs/dbraw/zinc/41/77/89/489417789.db2.gz UZIHJNDJRPYZBV-AEFFLSMTSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1cc(N2CCC[C@H]([NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)cn1 ZINC000363058709 489417793 /nfs/dbraw/zinc/41/77/93/489417793.db2.gz UZIHJNDJRPYZBV-AEFFLSMTSA-N 2 2 360.506 0.627 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000363109262 489425033 /nfs/dbraw/zinc/42/50/33/489425033.db2.gz OAQAOKGYDGRRKI-RBUKOAKNSA-N 2 2 358.486 0.566 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000363109262 489425035 /nfs/dbraw/zinc/42/50/35/489425035.db2.gz OAQAOKGYDGRRKI-RBUKOAKNSA-N 2 2 358.486 0.566 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000286784062 489428606 /nfs/dbraw/zinc/42/86/06/489428606.db2.gz ZEDNHYGHQGQTPF-PMPSAXMXSA-N 2 2 363.462 0.130 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000286784062 489428609 /nfs/dbraw/zinc/42/86/09/489428609.db2.gz ZEDNHYGHQGQTPF-PMPSAXMXSA-N 2 2 363.462 0.130 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000570697541 491258612 /nfs/dbraw/zinc/25/86/12/491258612.db2.gz UORCBJRGZXRYQW-OAHLLOKOSA-N 2 2 359.474 0.885 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287013384 489452539 /nfs/dbraw/zinc/45/25/39/489452539.db2.gz QTQZFCXVYCKXSO-UHFFFAOYSA-N 2 2 361.450 0.156 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC3C[NH2+]C3)[nH+]c12 ZINC000563620843 491258751 /nfs/dbraw/zinc/25/87/51/491258751.db2.gz BPTAKWABIBZKCE-UHFFFAOYSA-N 2 2 366.219 0.109 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000287064036 489457385 /nfs/dbraw/zinc/45/73/85/489457385.db2.gz XLLSMLOVKQKMKR-UHFFFAOYSA-N 2 2 361.471 0.485 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371221857 489468108 /nfs/dbraw/zinc/46/81/08/489468108.db2.gz ZDCXXENXEOGYDL-SFHVURJKSA-N 2 2 358.486 0.729 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000371221857 489468111 /nfs/dbraw/zinc/46/81/11/489468111.db2.gz ZDCXXENXEOGYDL-SFHVURJKSA-N 2 2 358.486 0.729 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296043 489474502 /nfs/dbraw/zinc/47/45/02/489474502.db2.gz WQONDMGLBLNWMA-GRYCIOLGSA-N 2 2 366.384 0.558 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296043 489474503 /nfs/dbraw/zinc/47/45/03/489474503.db2.gz WQONDMGLBLNWMA-GRYCIOLGSA-N 2 2 366.384 0.558 20 0 FCADLP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469817 489485357 /nfs/dbraw/zinc/48/53/57/489485357.db2.gz GSGNADJVDFAJGO-IPMKNSEASA-N 3 2 374.533 0.912 20 0 FCADLP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469817 489485358 /nfs/dbraw/zinc/48/53/58/489485358.db2.gz GSGNADJVDFAJGO-IPMKNSEASA-N 3 2 374.533 0.912 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423099759 489493422 /nfs/dbraw/zinc/49/34/22/489493422.db2.gz MKIUXQRWKIVWOD-DGCLKSJQSA-N 2 2 363.430 0.600 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000371667318 489494897 /nfs/dbraw/zinc/49/48/97/489494897.db2.gz BZJJPSYRQYSOGF-MRXNPFEDSA-N 2 2 374.489 0.279 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNC(=O)c3cccnc3)C2)CC1 ZINC000371667318 489494901 /nfs/dbraw/zinc/49/49/01/489494901.db2.gz BZJJPSYRQYSOGF-MRXNPFEDSA-N 2 2 374.489 0.279 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1C ZINC000423220605 489504697 /nfs/dbraw/zinc/50/46/97/489504697.db2.gz YKGGHGIGYXEYNY-GJZGRUSLSA-N 2 2 360.458 0.733 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423256781 489507880 /nfs/dbraw/zinc/50/78/80/489507880.db2.gz FYIZWKUUUXYDHE-QGZVFWFLSA-N 2 2 374.485 0.168 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000423260101 489508389 /nfs/dbraw/zinc/50/83/89/489508389.db2.gz PMMJOWVFSOTHNR-OAHLLOKOSA-N 2 2 362.474 0.578 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423297370 489512911 /nfs/dbraw/zinc/51/29/11/489512911.db2.gz KAPZZQCWHUGOSB-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423297370 489512913 /nfs/dbraw/zinc/51/29/13/489512913.db2.gz KAPZZQCWHUGOSB-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)[N@H+]1CCO ZINC000451652319 489514091 /nfs/dbraw/zinc/51/40/91/489514091.db2.gz JPOAKOUWKAMQTQ-CALCHBBNSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000451652319 489514092 /nfs/dbraw/zinc/51/40/92/489514092.db2.gz JPOAKOUWKAMQTQ-CALCHBBNSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000415374013 489516406 /nfs/dbraw/zinc/51/64/06/489516406.db2.gz IIKCFGBZFSSJLD-RHSMWYFYSA-N 2 2 360.458 0.887 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc2)CC1 ZINC000415382923 489517121 /nfs/dbraw/zinc/51/71/21/489517121.db2.gz WZXMVXDGNVQOIE-HNNXBMFYSA-N 2 2 361.490 0.616 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000415416493 489517970 /nfs/dbraw/zinc/51/79/70/489517970.db2.gz NOQPGHJSEYBYGI-HNNXBMFYSA-N 2 2 362.478 0.964 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000415420231 489519306 /nfs/dbraw/zinc/51/93/06/489519306.db2.gz WEYSCXXBBKOVSP-GJZGRUSLSA-N 2 2 362.474 0.990 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000570721189 491260359 /nfs/dbraw/zinc/26/03/59/491260359.db2.gz UOYMOHIRHYGGHI-CABCVRRESA-N 2 2 362.474 0.377 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)c2)CC1 ZINC000415445306 489521773 /nfs/dbraw/zinc/52/17/73/489521773.db2.gz DWGXCTBHFOFCGI-KRWDZBQOSA-N 2 2 359.474 0.226 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000415442905 489522047 /nfs/dbraw/zinc/52/20/47/489522047.db2.gz SYAYAFVIGLDNGJ-GJZGRUSLSA-N 2 2 360.458 0.839 20 0 FCADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000451784173 489523425 /nfs/dbraw/zinc/52/34/25/489523425.db2.gz DDHDLVBYCFEKNM-CABCVRRESA-N 2 2 355.479 0.535 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1)[NH+]1CCOCC1 ZINC000415472360 489523526 /nfs/dbraw/zinc/52/35/26/489523526.db2.gz WMXNVSZMJIQSHO-RHSMWYFYSA-N 2 2 360.458 0.968 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[C@H]1[NH3+] ZINC000415468264 489523954 /nfs/dbraw/zinc/52/39/54/489523954.db2.gz VPEOCUMABSRDFC-MAUKXSAKSA-N 2 2 373.501 0.568 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000415563854 489530620 /nfs/dbraw/zinc/53/06/20/489530620.db2.gz HMJXRNXUMZDGKF-OAHLLOKOSA-N 2 2 361.490 0.616 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000555638857 491261311 /nfs/dbraw/zinc/26/13/11/491261311.db2.gz IUQPMHFAWWIMPF-AWEZNQCLSA-N 2 2 350.467 0.073 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984315 489551501 /nfs/dbraw/zinc/55/15/01/489551501.db2.gz HMDSIGINWIMXJE-GJZGRUSLSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000425984315 489551504 /nfs/dbraw/zinc/55/15/04/489551504.db2.gz HMDSIGINWIMXJE-GJZGRUSLSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426022345 489552678 /nfs/dbraw/zinc/55/26/78/489552678.db2.gz LWMUNQDEKHTMIB-OAGGEKHMSA-N 2 2 367.538 0.944 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C3CC([NH3+])C3)cc2)CC1 ZINC000415782637 489552789 /nfs/dbraw/zinc/55/27/89/489552789.db2.gz BORYELGCASACTN-UHFFFAOYSA-N 2 2 373.501 0.711 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000415833156 489557191 /nfs/dbraw/zinc/55/71/91/489557191.db2.gz SAYQYPMDCHAMDX-CRAIPNDOSA-N 2 2 373.501 0.568 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCO1 ZINC000426371161 489564208 /nfs/dbraw/zinc/56/42/08/489564208.db2.gz JORJRULLVWWLSU-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCO1 ZINC000426371161 489564212 /nfs/dbraw/zinc/56/42/12/489564212.db2.gz JORJRULLVWWLSU-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000426371161 489564215 /nfs/dbraw/zinc/56/42/15/489564215.db2.gz JORJRULLVWWLSU-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000426371161 489564219 /nfs/dbraw/zinc/56/42/19/489564219.db2.gz JORJRULLVWWLSU-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccco1 ZINC000555656454 491263074 /nfs/dbraw/zinc/26/30/74/491263074.db2.gz UMFNMYIAZWEZES-AWEZNQCLSA-N 2 2 374.445 0.066 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CCCCC1 ZINC000555662365 491263365 /nfs/dbraw/zinc/26/33/65/491263365.db2.gz DMTPADJZIRIKGY-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668829 491263815 /nfs/dbraw/zinc/26/38/15/491263815.db2.gz YTOPJSGONLBAAK-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668829 491263817 /nfs/dbraw/zinc/26/38/17/491263817.db2.gz YTOPJSGONLBAAK-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP O=C(CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000570785855 491264394 /nfs/dbraw/zinc/26/43/94/491264394.db2.gz AQBJMORTBSLBDD-QPJJXVBHSA-N 2 2 371.485 0.459 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000555669982 491264702 /nfs/dbraw/zinc/26/47/02/491264702.db2.gz ADHBGDYVKAAEEV-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000372454311 489586391 /nfs/dbraw/zinc/58/63/91/489586391.db2.gz MSDRHCMSEDTMNX-BPQIPLTHSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000372454311 489586392 /nfs/dbraw/zinc/58/63/92/489586392.db2.gz MSDRHCMSEDTMNX-BPQIPLTHSA-N 2 2 361.490 0.782 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000563709634 491264904 /nfs/dbraw/zinc/26/49/04/491264904.db2.gz SLQDGXQZVYBTLZ-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000563709634 491264905 /nfs/dbraw/zinc/26/49/05/491264905.db2.gz SLQDGXQZVYBTLZ-FQEVSTJZSA-N 2 2 374.529 0.983 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](N3CCNC3=O)C2)CC1 ZINC000372574889 489602326 /nfs/dbraw/zinc/60/23/26/489602326.db2.gz WSLJJFNZYBOPNR-INIZCTEOSA-N 2 2 366.510 0.212 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372649740 489615383 /nfs/dbraw/zinc/61/53/83/489615383.db2.gz OMCUKDDZHBOMBT-AQNXPRMDSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372649740 489615384 /nfs/dbraw/zinc/61/53/84/489615384.db2.gz OMCUKDDZHBOMBT-AQNXPRMDSA-N 2 2 373.497 0.945 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1)N1CCCC1 ZINC000570817210 491266864 /nfs/dbraw/zinc/26/68/64/491266864.db2.gz IKABHWXZHCPSFZ-IXDOHACOSA-N 2 2 363.506 0.324 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000416876847 489632492 /nfs/dbraw/zinc/63/24/92/489632492.db2.gz VWXZSKHTYIYBCX-HNNXBMFYSA-N 2 2 358.446 0.863 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000416896786 489633210 /nfs/dbraw/zinc/63/32/10/489633210.db2.gz WOWKFVJGRSIGCB-OAHLLOKOSA-N 2 2 372.473 0.841 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044712 489634165 /nfs/dbraw/zinc/63/41/65/489634165.db2.gz UUEXQWJRGHYEJY-BZUAXINKSA-N 2 2 360.458 0.636 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044712 489634166 /nfs/dbraw/zinc/63/41/66/489634166.db2.gz UUEXQWJRGHYEJY-BZUAXINKSA-N 2 2 360.458 0.636 20 0 FCADLP CN(C)c1ccc(CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c[nH+]1 ZINC000417011895 489638665 /nfs/dbraw/zinc/63/86/65/489638665.db2.gz UHYJAMQAFZOZRR-CYBMUJFWSA-N 2 2 374.411 0.783 20 0 FCADLP C[C@](O)(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000372821076 489640305 /nfs/dbraw/zinc/64/03/05/489640305.db2.gz JMSALXBDBIXLIT-YJBOKZPZSA-N 2 2 363.462 0.043 20 0 FCADLP [NH3+]CC[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(F)F ZINC000417255869 489645726 /nfs/dbraw/zinc/64/57/26/489645726.db2.gz FNNAPWNJOUJUPZ-FZMZJTMJSA-N 2 2 352.451 0.476 20 0 FCADLP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCO1 ZINC000372887859 489647646 /nfs/dbraw/zinc/64/76/46/489647646.db2.gz AKLIUWDDRKEGGU-IBGZPJMESA-N 3 2 368.566 0.874 20 0 FCADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCO1 ZINC000372887859 489647650 /nfs/dbraw/zinc/64/76/50/489647650.db2.gz AKLIUWDDRKEGGU-IBGZPJMESA-N 3 2 368.566 0.874 20 0 FCADLP C[C@H]1C[N@H+](CCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCO1 ZINC000372887859 489647652 /nfs/dbraw/zinc/64/76/52/489647652.db2.gz AKLIUWDDRKEGGU-IBGZPJMESA-N 3 2 368.566 0.874 20 0 FCADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCO1 ZINC000372887859 489647654 /nfs/dbraw/zinc/64/76/54/489647654.db2.gz AKLIUWDDRKEGGU-IBGZPJMESA-N 3 2 368.566 0.874 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000570839913 491268638 /nfs/dbraw/zinc/26/86/38/491268638.db2.gz RMKYYPVEUPGOON-UHFFFAOYSA-N 2 2 360.524 0.055 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000570839913 491268640 /nfs/dbraw/zinc/26/86/40/491268640.db2.gz RMKYYPVEUPGOON-UHFFFAOYSA-N 2 2 360.524 0.055 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417364139 489649527 /nfs/dbraw/zinc/64/95/27/489649527.db2.gz GYGBIRSGBUACCO-UHFFFAOYSA-N 2 2 370.404 0.014 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457588728 489649663 /nfs/dbraw/zinc/64/96/63/489649663.db2.gz CQVSYYQOLPMDKZ-OKZBNKHCSA-N 2 2 368.522 0.896 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCOCC1 ZINC000457588728 489649666 /nfs/dbraw/zinc/64/96/66/489649666.db2.gz CQVSYYQOLPMDKZ-OKZBNKHCSA-N 2 2 368.522 0.896 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417371919 489650473 /nfs/dbraw/zinc/65/04/73/489650473.db2.gz XLRVEAPOYVODJB-HNNXBMFYSA-N 2 2 360.462 0.124 20 0 FCADLP CCC[NH2+]CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417371265 489650542 /nfs/dbraw/zinc/65/05/42/489650542.db2.gz VPIZPFKBOBMXSJ-UHFFFAOYSA-N 2 2 362.478 0.419 20 0 FCADLP CCOC1CC(CNC(=O)N(C)CC[N@@H+](C)C2CC2)([NH+]2CCOCC2)C1 ZINC000372977632 489658160 /nfs/dbraw/zinc/65/81/60/489658160.db2.gz TUWZUWDQTYPEDK-UHFFFAOYSA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH2+]CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417625336 489660132 /nfs/dbraw/zinc/66/01/32/489660132.db2.gz MDKWQPUWWRMTQF-UHFFFAOYSA-N 2 2 353.511 0.620 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000417772182 489665258 /nfs/dbraw/zinc/66/52/58/489665258.db2.gz HHFAXBGEQNFBGC-UONOGXRCSA-N 2 2 363.466 0.165 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2C[NH2+]CCCO2)[nH+]cn1 ZINC000417772182 489665259 /nfs/dbraw/zinc/66/52/59/489665259.db2.gz HHFAXBGEQNFBGC-UONOGXRCSA-N 2 2 363.466 0.165 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCO[C@H](C[NH3+])C2)nc[nH+]1 ZINC000417768560 489665334 /nfs/dbraw/zinc/66/53/34/489665334.db2.gz CQJWNUNOOXRRGP-ZIAGYGMSSA-N 2 2 363.466 0.246 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCCO[C@H](C[NH3+])C2)[nH+]cn1 ZINC000417768560 489665335 /nfs/dbraw/zinc/66/53/35/489665335.db2.gz CQJWNUNOOXRRGP-ZIAGYGMSSA-N 2 2 363.466 0.246 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000373086100 489667262 /nfs/dbraw/zinc/66/72/62/489667262.db2.gz AKXPUQYQKLYMAX-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP [NH3+][C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(F)cccc1F ZINC000417826823 489667326 /nfs/dbraw/zinc/66/73/26/489667326.db2.gz OUEUTLLUYVGXBP-YPMHNXCESA-N 2 2 366.334 0.917 20 0 FCADLP COC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000428988584 489669409 /nfs/dbraw/zinc/66/94/09/489669409.db2.gz BKPMZFCVFPWQTH-IXDOHACOSA-N 2 2 362.474 0.902 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)CC1 ZINC000373131215 489671777 /nfs/dbraw/zinc/67/17/77/489671777.db2.gz CFQSCFFADDLODW-KRWDZBQOSA-N 2 2 365.522 0.273 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)CC1 ZINC000373131216 489671905 /nfs/dbraw/zinc/67/19/05/489671905.db2.gz CFQSCFFADDLODW-QGZVFWFLSA-N 2 2 365.522 0.273 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)N(CC[NH3+])CCO)[nH+]c12 ZINC000418021255 489675921 /nfs/dbraw/zinc/67/59/21/489675921.db2.gz PEEUUUAQKZDRFV-UHFFFAOYSA-N 2 2 370.251 0.868 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000458316394 489676356 /nfs/dbraw/zinc/67/63/56/489676356.db2.gz RDVMSRYMBOOSIJ-SJORKVTESA-N 2 2 369.554 0.811 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000458316394 489676359 /nfs/dbraw/zinc/67/63/59/489676359.db2.gz RDVMSRYMBOOSIJ-SJORKVTESA-N 2 2 369.554 0.811 20 0 FCADLP C[NH2+]CCNC(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000418334073 489692971 /nfs/dbraw/zinc/69/29/71/489692971.db2.gz SVDHGAKXTPOQDE-UHFFFAOYSA-N 2 2 366.462 0.759 20 0 FCADLP CCC[NH2+]CCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000418472635 489700790 /nfs/dbraw/zinc/70/07/90/489700790.db2.gz MKLQXIPEIIVBIA-INIZCTEOSA-N 2 2 353.511 0.714 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418486883 489701787 /nfs/dbraw/zinc/70/17/87/489701787.db2.gz IXPWZQYVDGCYGN-CQSZACIVSA-N 2 2 365.453 0.478 20 0 FCADLP NC(=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000429918131 489709213 /nfs/dbraw/zinc/70/92/13/489709213.db2.gz PFMSRMDKDYPMPR-JZXOWHBKSA-N 2 2 369.469 0.962 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418613485 489710091 /nfs/dbraw/zinc/71/00/91/489710091.db2.gz FUYZYCTZLHMOBJ-WBVHZDCISA-N 2 2 365.522 0.842 20 0 FCADLP CCOC(=O)COCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458957508 489710248 /nfs/dbraw/zinc/71/02/48/489710248.db2.gz BNIRDFQQRCXQHG-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP CCOC(=O)COCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000458957508 489710251 /nfs/dbraw/zinc/71/02/51/489710251.db2.gz BNIRDFQQRCXQHG-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)[C@H]2CC2(C)C)CC1 ZINC000489491861 489714249 /nfs/dbraw/zinc/71/42/49/489714249.db2.gz CXVRABYIYHUVHF-AWEZNQCLSA-N 2 2 357.462 0.742 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)[C@H]2CC2(C)C)CC1 ZINC000489491861 489714251 /nfs/dbraw/zinc/71/42/51/489714251.db2.gz CXVRABYIYHUVHF-AWEZNQCLSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418668361 489717427 /nfs/dbraw/zinc/71/74/27/489717427.db2.gz GKEOGIGPRBRZIC-HZPDHXFCSA-N 2 2 353.511 0.842 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418668362 489717548 /nfs/dbraw/zinc/71/75/48/489717548.db2.gz GKEOGIGPRBRZIC-JKSUJKDBSA-N 2 2 353.511 0.842 20 0 FCADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418689246 489718031 /nfs/dbraw/zinc/71/80/31/489718031.db2.gz FQZIVPHJBDVCGU-CVEARBPZSA-N 2 2 369.510 0.078 20 0 FCADLP CC(C)N1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1=O ZINC000430243136 489727248 /nfs/dbraw/zinc/72/72/48/489727248.db2.gz TYMILUALZWIQPM-MSOLQXFVSA-N 2 2 369.469 0.927 20 0 FCADLP NC(=O)Cn1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)nn1 ZINC000459430106 489731475 /nfs/dbraw/zinc/73/14/75/489731475.db2.gz CXLCRLOLDRPFHE-UHFFFAOYSA-N 2 2 350.467 0.136 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C(=O)N(C)C ZINC000459455020 489733913 /nfs/dbraw/zinc/73/39/13/489733913.db2.gz CAFSWRBKAASXEO-OAHLLOKOSA-N 2 2 369.469 0.950 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCc1ccc(Cl)cc1 ZINC000489908985 489735251 /nfs/dbraw/zinc/73/52/51/489735251.db2.gz OWJXJUVLSCDZLB-QGZVFWFLSA-N 2 2 350.894 0.978 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489953135 489737749 /nfs/dbraw/zinc/73/77/49/489737749.db2.gz BWYXLWUROLLSGU-ROUUACIJSA-N 2 2 360.502 0.858 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489959321 489738001 /nfs/dbraw/zinc/73/80/01/489738001.db2.gz UZQLUFGSDRSGDW-OWCLPIDISA-N 2 2 351.495 0.370 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000418833227 489745492 /nfs/dbraw/zinc/74/54/92/489745492.db2.gz HVWMAGWIZPYCPH-HLLBOEOZSA-N 2 2 374.485 0.767 20 0 FCADLP O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000430571724 489747193 /nfs/dbraw/zinc/74/71/93/489747193.db2.gz MOAPZRQZKXZJNC-UXHICEINSA-N 2 2 372.513 0.961 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418835531 489747320 /nfs/dbraw/zinc/74/73/20/489747320.db2.gz PWYJLPXFYXVHIV-ROUUACIJSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418835531 489747325 /nfs/dbraw/zinc/74/73/25/489747325.db2.gz PWYJLPXFYXVHIV-ROUUACIJSA-N 2 2 374.485 0.119 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430576989 489748233 /nfs/dbraw/zinc/74/82/33/489748233.db2.gz NKRNNHCQNDDBCC-LSDHHAIUSA-N 2 2 362.474 0.963 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430576989 489748238 /nfs/dbraw/zinc/74/82/38/489748238.db2.gz NKRNNHCQNDDBCC-LSDHHAIUSA-N 2 2 362.474 0.963 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000430581534 489748420 /nfs/dbraw/zinc/74/84/20/489748420.db2.gz JJLAKVBBQQFTKI-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430584701 489748585 /nfs/dbraw/zinc/74/85/85/489748585.db2.gz PNWSLCJJKAVRFZ-ZDUSSCGKSA-N 2 2 372.491 0.586 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430584701 489748588 /nfs/dbraw/zinc/74/85/88/489748588.db2.gz PNWSLCJJKAVRFZ-ZDUSSCGKSA-N 2 2 372.491 0.586 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418839330 489749881 /nfs/dbraw/zinc/74/98/81/489749881.db2.gz WLORQWHOAPYGDK-KZNAEPCWSA-N 2 2 374.485 0.247 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418839330 489749882 /nfs/dbraw/zinc/74/98/82/489749882.db2.gz WLORQWHOAPYGDK-KZNAEPCWSA-N 2 2 374.485 0.247 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000418841752 489751509 /nfs/dbraw/zinc/75/15/09/489751509.db2.gz AOSRNSLSPVARCJ-LSDHHAIUSA-N 2 2 352.866 0.912 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607250 489751786 /nfs/dbraw/zinc/75/17/86/489751786.db2.gz BRVMXNWUGWEBJQ-GDBMZVCRSA-N 2 2 360.458 0.379 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607250 489751790 /nfs/dbraw/zinc/75/17/90/489751790.db2.gz BRVMXNWUGWEBJQ-GDBMZVCRSA-N 2 2 360.458 0.379 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608286 489751845 /nfs/dbraw/zinc/75/18/45/489751845.db2.gz FAUVJDLKSUFKCO-CABCVRRESA-N 2 2 362.474 0.625 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608286 489751848 /nfs/dbraw/zinc/75/18/48/489751848.db2.gz FAUVJDLKSUFKCO-CABCVRRESA-N 2 2 362.474 0.625 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607256 489752338 /nfs/dbraw/zinc/75/23/38/489752338.db2.gz BRVMXNWUGWEBJQ-ZBFHGGJFSA-N 2 2 360.458 0.379 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607256 489752341 /nfs/dbraw/zinc/75/23/41/489752341.db2.gz BRVMXNWUGWEBJQ-ZBFHGGJFSA-N 2 2 360.458 0.379 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430613189 489753261 /nfs/dbraw/zinc/75/32/61/489753261.db2.gz VMOYMQUAQNBKKR-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430613189 489753264 /nfs/dbraw/zinc/75/32/64/489753264.db2.gz VMOYMQUAQNBKKR-UHFFFAOYSA-N 2 2 362.474 0.407 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615726 489754941 /nfs/dbraw/zinc/75/49/41/489754941.db2.gz CZYNAIZNJONWJB-WFASDCNBSA-N 2 2 366.412 0.857 20 0 FCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615726 489754943 /nfs/dbraw/zinc/75/49/43/489754943.db2.gz CZYNAIZNJONWJB-WFASDCNBSA-N 2 2 366.412 0.857 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430627004 489757630 /nfs/dbraw/zinc/75/76/30/489757630.db2.gz LQGJDMOGPYMHMH-MRXNPFEDSA-N 3 2 360.502 0.947 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000459816515 489757638 /nfs/dbraw/zinc/75/76/38/489757638.db2.gz OULHLTUZJZKUQF-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000430628840 489757819 /nfs/dbraw/zinc/75/78/19/489757819.db2.gz VQOJWOCVFLFDBH-HNNXBMFYSA-N 2 2 362.540 0.094 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000430628840 489757823 /nfs/dbraw/zinc/75/78/23/489757823.db2.gz VQOJWOCVFLFDBH-HNNXBMFYSA-N 2 2 362.540 0.094 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430631110 489759224 /nfs/dbraw/zinc/75/92/24/489759224.db2.gz TWUXZGQLBHEEFV-OAHLLOKOSA-N 2 2 371.485 0.579 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430631110 489759226 /nfs/dbraw/zinc/75/92/26/489759226.db2.gz TWUXZGQLBHEEFV-OAHLLOKOSA-N 2 2 371.485 0.579 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430635152 489759296 /nfs/dbraw/zinc/75/92/96/489759296.db2.gz FXMMNADTEITOLQ-UHFFFAOYSA-N 2 2 360.502 0.832 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430635152 489759302 /nfs/dbraw/zinc/75/93/02/489759302.db2.gz FXMMNADTEITOLQ-UHFFFAOYSA-N 2 2 360.502 0.832 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000430642296 489760614 /nfs/dbraw/zinc/76/06/14/489760614.db2.gz VFJMINNTAWNTGM-OAHLLOKOSA-N 2 2 350.850 0.809 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000430642296 489760617 /nfs/dbraw/zinc/76/06/17/489760617.db2.gz VFJMINNTAWNTGM-OAHLLOKOSA-N 2 2 350.850 0.809 20 0 FCADLP C[C@H]1C[C@H](C)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459824448 489760999 /nfs/dbraw/zinc/76/09/99/489760999.db2.gz FCXMJTLYVYTLKP-HOTGVXAUSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@H]1C[C@H](C)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459824448 489761004 /nfs/dbraw/zinc/76/10/04/489761004.db2.gz FCXMJTLYVYTLKP-HOTGVXAUSA-N 2 2 352.523 0.975 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000459829017 489762729 /nfs/dbraw/zinc/76/27/29/489762729.db2.gz HSNAIGKKHYCSPB-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000430689408 489765017 /nfs/dbraw/zinc/76/50/17/489765017.db2.gz CPYOADISFJAPMV-UXLLHSPISA-N 2 2 354.495 0.108 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000430689948 489765029 /nfs/dbraw/zinc/76/50/29/489765029.db2.gz BJXGGHZPCFSZBX-GOSISDBHSA-N 2 2 362.474 0.802 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430711790 489766154 /nfs/dbraw/zinc/76/61/54/489766154.db2.gz XNTDTEBRPFXZNB-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430711790 489766157 /nfs/dbraw/zinc/76/61/57/489766157.db2.gz XNTDTEBRPFXZNB-OAQYLSRUSA-N 2 2 370.497 0.933 20 0 FCADLP C[C@@]1(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]C1 ZINC000430732086 489768022 /nfs/dbraw/zinc/76/80/22/489768022.db2.gz YUUSBHGBKGFRRD-LJQANCHMSA-N 2 2 350.507 0.827 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430725346 489768163 /nfs/dbraw/zinc/76/81/63/489768163.db2.gz QQBURYIJYDJAQJ-KRWDZBQOSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430744985 489768330 /nfs/dbraw/zinc/76/83/30/489768330.db2.gz XEHLRUBGMBLBDN-KSZLIROESA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418874608 489770127 /nfs/dbraw/zinc/77/01/27/489770127.db2.gz JIIXLMCLAGSOAW-WFASDCNBSA-N 2 2 368.865 0.164 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418874607 489770261 /nfs/dbraw/zinc/77/02/61/489770261.db2.gz JIIXLMCLAGSOAW-SWLSCSKDSA-N 2 2 368.865 0.164 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459864592 489773775 /nfs/dbraw/zinc/77/37/75/489773775.db2.gz NGSSEQVQTQOXRQ-UHFFFAOYSA-N 2 2 364.515 0.945 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459864592 489773778 /nfs/dbraw/zinc/77/37/78/489773778.db2.gz NGSSEQVQTQOXRQ-UHFFFAOYSA-N 2 2 364.515 0.945 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH+](CC(C)C)CC3)CC2)c1 ZINC000459868608 489774772 /nfs/dbraw/zinc/77/47/72/489774772.db2.gz PHBRMDVVLDAZPG-UHFFFAOYSA-N 2 2 373.501 0.839 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418889067 489777223 /nfs/dbraw/zinc/77/72/23/489777223.db2.gz PICNHJUGMXMXCZ-JKSUJKDBSA-N 2 2 369.469 0.919 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430926079 489777675 /nfs/dbraw/zinc/77/76/75/489777675.db2.gz NDKQWXLELWBYII-QGZVFWFLSA-N 2 2 374.485 0.317 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430926079 489777679 /nfs/dbraw/zinc/77/76/79/489777679.db2.gz NDKQWXLELWBYII-QGZVFWFLSA-N 2 2 374.485 0.317 20 0 FCADLP COCC[N@H+](C)CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000430928198 489778099 /nfs/dbraw/zinc/77/80/99/489778099.db2.gz SVGLAZFPBRIQTO-QGZVFWFLSA-N 2 2 362.474 0.244 20 0 FCADLP COCC[N@@H+](C)CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000430928198 489778101 /nfs/dbraw/zinc/77/81/01/489778101.db2.gz SVGLAZFPBRIQTO-QGZVFWFLSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430929176 489778660 /nfs/dbraw/zinc/77/86/60/489778660.db2.gz WSFQINFRYOWBKB-DVOMOZLQSA-N 2 2 368.503 0.050 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430929176 489778663 /nfs/dbraw/zinc/77/86/63/489778663.db2.gz WSFQINFRYOWBKB-DVOMOZLQSA-N 2 2 368.503 0.050 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418897087 489779716 /nfs/dbraw/zinc/77/97/16/489779716.db2.gz GGHVBOGYLLZIQQ-KRWDZBQOSA-N 2 2 355.442 0.887 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430941135 489780007 /nfs/dbraw/zinc/78/00/07/489780007.db2.gz ULSYBOQDQLOSJC-GXTWGEPZSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430941135 489780011 /nfs/dbraw/zinc/78/00/11/489780011.db2.gz ULSYBOQDQLOSJC-GXTWGEPZSA-N 2 2 351.447 0.998 20 0 FCADLP C[C@H](C[NH3+])[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430951948 489781165 /nfs/dbraw/zinc/78/11/65/489781165.db2.gz NXIRHLYZOPTHGG-CQSZACIVSA-N 2 2 357.476 0.365 20 0 FCADLP C[C@H](C[NH3+])[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430951948 489781169 /nfs/dbraw/zinc/78/11/69/489781169.db2.gz NXIRHLYZOPTHGG-CQSZACIVSA-N 2 2 357.476 0.365 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000430965092 489781811 /nfs/dbraw/zinc/78/18/11/489781811.db2.gz KBJFBERZJAKLRP-WFASDCNBSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000430965092 489781818 /nfs/dbraw/zinc/78/18/18/489781818.db2.gz KBJFBERZJAKLRP-WFASDCNBSA-N 2 2 354.476 0.545 20 0 FCADLP CCc1[nH+]c2cc(CNC(=O)C(=O)N(CC[NH3+])CCO)ccc2n1C1CC1 ZINC000418901276 489781894 /nfs/dbraw/zinc/78/18/94/489781894.db2.gz LDDSVHPJFNLAJV-UHFFFAOYSA-N 2 2 373.457 0.329 20 0 FCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430966996 489782023 /nfs/dbraw/zinc/78/20/23/489782023.db2.gz QVGPFNUTZFOAQS-CYBMUJFWSA-N 2 2 368.503 0.065 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000430970768 489782788 /nfs/dbraw/zinc/78/27/88/489782788.db2.gz IREYJFJANOUCGA-SWLSCSKDSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000430970768 489782791 /nfs/dbraw/zinc/78/27/91/489782791.db2.gz IREYJFJANOUCGA-SWLSCSKDSA-N 2 2 351.447 0.998 20 0 FCADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430967587 489782800 /nfs/dbraw/zinc/78/28/00/489782800.db2.gz UCNGRCBKGKHTDY-CQSZACIVSA-N 2 2 368.503 0.936 20 0 FCADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430967587 489782804 /nfs/dbraw/zinc/78/28/04/489782804.db2.gz UCNGRCBKGKHTDY-CQSZACIVSA-N 2 2 368.503 0.936 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000459912735 489790438 /nfs/dbraw/zinc/79/04/38/489790438.db2.gz BLBCSFPQMHIJRF-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000459912735 489790442 /nfs/dbraw/zinc/79/04/42/489790442.db2.gz BLBCSFPQMHIJRF-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987438 489791515 /nfs/dbraw/zinc/79/15/15/489791515.db2.gz LQDMQIUMZFXZDD-MJGOQNOKSA-N 2 2 372.513 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987438 489791518 /nfs/dbraw/zinc/79/15/18/489791518.db2.gz LQDMQIUMZFXZDD-MJGOQNOKSA-N 2 2 372.513 0.943 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418943126 489798711 /nfs/dbraw/zinc/79/87/11/489798711.db2.gz MIVXJRCHMAWUGV-ZDUSSCGKSA-N 2 2 350.488 0.338 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418943126 489798713 /nfs/dbraw/zinc/79/87/13/489798713.db2.gz MIVXJRCHMAWUGV-ZDUSSCGKSA-N 2 2 350.488 0.338 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418948410 489800096 /nfs/dbraw/zinc/80/00/96/489800096.db2.gz UCMHMBJONXXKHJ-KBPBESRZSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418948410 489800101 /nfs/dbraw/zinc/80/01/01/489800101.db2.gz UCMHMBJONXXKHJ-KBPBESRZSA-N 2 2 364.515 0.808 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555880186 491279549 /nfs/dbraw/zinc/27/95/49/491279549.db2.gz IJEKQQUIDRJMLX-QGZVFWFLSA-N 2 2 365.522 0.970 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000555880186 491279550 /nfs/dbraw/zinc/27/95/50/491279550.db2.gz IJEKQQUIDRJMLX-QGZVFWFLSA-N 2 2 365.522 0.970 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CN1CC[NH+]1CCOCC1 ZINC000376886184 489812028 /nfs/dbraw/zinc/81/20/28/489812028.db2.gz GEYRDDYASZVFAY-HZSPNIEDSA-N 2 2 365.396 0.619 20 0 FCADLP C[C@@](O)(CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C[NH+]1CCOCC1 ZINC000491901533 489813763 /nfs/dbraw/zinc/81/37/63/489813763.db2.gz OAIPELZYBAWSCP-GOSISDBHSA-N 2 2 374.445 0.531 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@H]2[C@H]2CCCO2)CC1 ZINC000376919498 489817633 /nfs/dbraw/zinc/81/76/33/489817633.db2.gz OULISQNUVXHFGW-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000376919377 489818034 /nfs/dbraw/zinc/81/80/34/489818034.db2.gz OAZCDYVFWAGLRF-WMZOPIPTSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[C@H](C)[N@H+]1CCO ZINC000460015701 489818547 /nfs/dbraw/zinc/81/85/47/489818547.db2.gz DMBLFARRUMCGNY-QLFBSQMISA-N 2 2 363.462 0.029 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[C@H](C)[N@@H+]1CCO ZINC000460015701 489818552 /nfs/dbraw/zinc/81/85/52/489818552.db2.gz DMBLFARRUMCGNY-QLFBSQMISA-N 2 2 363.462 0.029 20 0 FCADLP CCN1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1c1ncc[nH]1 ZINC000475348787 489821146 /nfs/dbraw/zinc/82/11/46/489821146.db2.gz MERIAYNDJSEEPP-QGZVFWFLSA-N 2 2 370.505 0.830 20 0 FCADLP CCN1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1c1ncc[nH]1 ZINC000475348787 489821147 /nfs/dbraw/zinc/82/11/47/489821147.db2.gz MERIAYNDJSEEPP-QGZVFWFLSA-N 2 2 370.505 0.830 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000460031192 489824953 /nfs/dbraw/zinc/82/49/53/489824953.db2.gz VQIYGKWGSNOVQA-UHFFFAOYSA-N 2 2 371.485 0.593 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000377010056 489834841 /nfs/dbraw/zinc/83/48/41/489834841.db2.gz PBYHMHVAOSVFKP-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060209 489839461 /nfs/dbraw/zinc/83/94/61/489839461.db2.gz DXFFZEHQTXVDCO-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419060209 489839463 /nfs/dbraw/zinc/83/94/63/489839463.db2.gz DXFFZEHQTXVDCO-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000419060665 489839509 /nfs/dbraw/zinc/83/95/09/489839509.db2.gz FIYWUZWHBRZEPW-TUVASFSCSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000419060665 489839513 /nfs/dbraw/zinc/83/95/13/489839513.db2.gz FIYWUZWHBRZEPW-TUVASFSCSA-N 2 2 354.495 0.199 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000460065381 489840068 /nfs/dbraw/zinc/84/00/68/489840068.db2.gz UMQGORPKUDIZQD-UHFFFAOYSA-N 2 2 364.465 0.880 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)c2cc1C ZINC000492971207 489840405 /nfs/dbraw/zinc/84/04/05/489840405.db2.gz FKACZRVLBBTXSW-CJNGLKHVSA-N 2 2 357.414 0.250 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)c2cc1C ZINC000492971207 489840407 /nfs/dbraw/zinc/84/04/07/489840407.db2.gz FKACZRVLBBTXSW-CJNGLKHVSA-N 2 2 357.414 0.250 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000555910446 491282382 /nfs/dbraw/zinc/28/23/82/491282382.db2.gz ZKVHYPJGSILKPQ-BBWFWOEESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000419110715 489859157 /nfs/dbraw/zinc/85/91/57/489859157.db2.gz CMEYSORJDYIBFO-ARFHVFGLSA-N 2 2 354.495 0.058 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000419112474 489859833 /nfs/dbraw/zinc/85/98/33/489859833.db2.gz FVOZCYLDTZSJKZ-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnnn2C2CCOCC2)CC1 ZINC000432957440 489860545 /nfs/dbraw/zinc/86/05/45/489860545.db2.gz YWGQWPHLEKYOQU-AWEZNQCLSA-N 2 2 352.483 0.549 20 0 FCADLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnnn2C2CCOCC2)CC1 ZINC000432957440 489860550 /nfs/dbraw/zinc/86/05/50/489860550.db2.gz YWGQWPHLEKYOQU-AWEZNQCLSA-N 2 2 352.483 0.549 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419112907 489860993 /nfs/dbraw/zinc/86/09/93/489860993.db2.gz FZXKSFYJOSJXIM-CVEARBPZSA-N 2 2 357.458 0.651 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000419114598 489861233 /nfs/dbraw/zinc/86/12/33/489861233.db2.gz INPOTWCQVLBTBO-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419120535 489865176 /nfs/dbraw/zinc/86/51/76/489865176.db2.gz QPMIIOJHHSELMP-BRWVUGGUSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419121690 489866092 /nfs/dbraw/zinc/86/60/92/489866092.db2.gz SHKZFHMKDAENQG-VVLHAWIVSA-N 2 2 366.506 0.045 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H](C)[N@H+]1CCO ZINC000377198708 489866112 /nfs/dbraw/zinc/86/61/12/489866112.db2.gz QWBFKCXZFGMKGD-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H](C)[N@@H+]1CCO ZINC000377198708 489866116 /nfs/dbraw/zinc/86/61/16/489866116.db2.gz QWBFKCXZFGMKGD-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH+]1CCO ZINC000377198708 489866119 /nfs/dbraw/zinc/86/61/19/489866119.db2.gz QWBFKCXZFGMKGD-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH+]1CCO ZINC000377198708 489866122 /nfs/dbraw/zinc/86/61/22/489866122.db2.gz QWBFKCXZFGMKGD-SCTDSRPQSA-N 2 2 361.486 0.801 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000419122364 489866163 /nfs/dbraw/zinc/86/61/63/489866163.db2.gz TVCNWQFBDCKGJF-HZPDHXFCSA-N 2 2 356.511 0.291 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122034 489866229 /nfs/dbraw/zinc/86/62/29/489866229.db2.gz SXRMVSUMSWKQAA-JYJNAYRXSA-N 2 2 354.495 0.045 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419125079 489868542 /nfs/dbraw/zinc/86/85/42/489868542.db2.gz YVVUGSTVCQOHAG-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166136 489869402 /nfs/dbraw/zinc/86/94/02/489869402.db2.gz DYARIWABPGTYIS-HNNXBMFYSA-N 3 2 365.522 0.001 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000419981575 489872505 /nfs/dbraw/zinc/87/25/05/489872505.db2.gz UAIQNFJBOQUCRM-RDJZCZTQSA-N 2 2 361.490 0.776 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419983427 489873024 /nfs/dbraw/zinc/87/30/24/489873024.db2.gz UQRHRNJTABQNNF-RCMYXZNBSA-N 2 2 358.486 0.816 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433334986 489876640 /nfs/dbraw/zinc/87/66/40/489876640.db2.gz JQIIVYMRRSPVPL-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433334986 489876645 /nfs/dbraw/zinc/87/66/45/489876645.db2.gz JQIIVYMRRSPVPL-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433379311 489879790 /nfs/dbraw/zinc/87/97/90/489879790.db2.gz YDMCYDCEWPUXCF-HNNXBMFYSA-N 2 2 355.446 0.996 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000420036003 489888995 /nfs/dbraw/zinc/88/89/95/489888995.db2.gz ZWXDVHMXDXXXPJ-KBPBESRZSA-N 2 2 361.446 0.125 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000433566358 489891860 /nfs/dbraw/zinc/89/18/60/489891860.db2.gz ZMBPRUMATSKFQJ-KRWDZBQOSA-N 2 2 368.522 0.897 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000433566359 489892197 /nfs/dbraw/zinc/89/21/97/489892197.db2.gz ZMBPRUMATSKFQJ-QGZVFWFLSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420094949 489909988 /nfs/dbraw/zinc/90/99/88/489909988.db2.gz RTKPXMXWBQYQAX-CYBMUJFWSA-N 2 2 350.488 0.951 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420106745 489913722 /nfs/dbraw/zinc/91/37/22/489913722.db2.gz VAZXEAQBRXBYMI-UHFFFAOYSA-N 2 2 374.485 0.475 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420110270 489915369 /nfs/dbraw/zinc/91/53/69/489915369.db2.gz FGBTZXKTPUFPIQ-NUJGCVRESA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420110270 489915373 /nfs/dbraw/zinc/91/53/73/489915373.db2.gz FGBTZXKTPUFPIQ-NUJGCVRESA-N 2 2 358.486 0.834 20 0 FCADLP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494814840 489915362 /nfs/dbraw/zinc/91/53/62/489915362.db2.gz ZIWMYIXMCKMUPC-HOCLYGCPSA-N 2 2 358.446 0.175 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000420112517 489916269 /nfs/dbraw/zinc/91/62/69/489916269.db2.gz BBDJNOXLLHMHRS-RDJZCZTQSA-N 2 2 361.490 0.921 20 0 FCADLP CN(C)CC[N@H+](C)CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000494842485 489916517 /nfs/dbraw/zinc/91/65/17/489916517.db2.gz PRKWNXUQSNAOLS-UHFFFAOYSA-N 2 2 361.494 0.648 20 0 FCADLP CN(C)CC[N@@H+](C)CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000494842485 489916521 /nfs/dbraw/zinc/91/65/21/489916521.db2.gz PRKWNXUQSNAOLS-UHFFFAOYSA-N 2 2 361.494 0.648 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCCN(C)CC[NH+](C)C)n2C ZINC000494842485 489916525 /nfs/dbraw/zinc/91/65/25/489916525.db2.gz PRKWNXUQSNAOLS-UHFFFAOYSA-N 2 2 361.494 0.648 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420127003 489921728 /nfs/dbraw/zinc/92/17/28/489921728.db2.gz OPTWKOLATOQEJW-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP CC[N@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000494979233 489922087 /nfs/dbraw/zinc/92/20/87/489922087.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CC[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C)CCC(F)(F)F ZINC000494979233 489922094 /nfs/dbraw/zinc/92/20/94/489922094.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)CCC(F)(F)F ZINC000494979233 489922096 /nfs/dbraw/zinc/92/20/96/489922096.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CCC(F)(F)F ZINC000494979233 489922099 /nfs/dbraw/zinc/92/20/99/489922099.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CC[N@H+](CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)CCC(F)(F)F ZINC000494979233 489922102 /nfs/dbraw/zinc/92/21/02/489922102.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CC[N@@H+](CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)CCC(F)(F)F ZINC000494979233 489922104 /nfs/dbraw/zinc/92/21/04/489922104.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)CCC(F)(F)F ZINC000494979233 489922108 /nfs/dbraw/zinc/92/21/08/489922108.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CC[NH+](CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)CCC(F)(F)F ZINC000494979233 489922111 /nfs/dbraw/zinc/92/21/11/489922111.db2.gz LUPCMAQERHQIJM-CYBMUJFWSA-N 2 2 353.433 0.806 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000420130015 489922572 /nfs/dbraw/zinc/92/25/72/489922572.db2.gz VQNWMUONXXISEA-UONOGXRCSA-N 2 2 350.467 0.249 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434349328 489923680 /nfs/dbraw/zinc/92/36/80/489923680.db2.gz HIAUGPDJHLCWKV-IRXDYDNUSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434349328 489923686 /nfs/dbraw/zinc/92/36/86/489923686.db2.gz HIAUGPDJHLCWKV-IRXDYDNUSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000377575214 489923838 /nfs/dbraw/zinc/92/38/38/489923838.db2.gz MAJKZEXMBGGPFE-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420155606 489934253 /nfs/dbraw/zinc/93/42/53/489934253.db2.gz ULFSQHBKZYSHGG-UHFFFAOYSA-N 2 2 360.430 0.145 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420176259 489941856 /nfs/dbraw/zinc/94/18/56/489941856.db2.gz PTVZEERYCOTINE-GJZGRUSLSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477100873 489942728 /nfs/dbraw/zinc/94/27/28/489942728.db2.gz PIAMKZNZPJSPNX-OAGGEKHMSA-N 2 2 356.511 0.401 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477100873 489942731 /nfs/dbraw/zinc/94/27/31/489942731.db2.gz PIAMKZNZPJSPNX-OAGGEKHMSA-N 2 2 356.511 0.401 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@H](C[NH3+])C1CC1 ZINC000461900503 489944023 /nfs/dbraw/zinc/94/40/23/489944023.db2.gz SOBBHAWGLUGYCT-LJQANCHMSA-N 2 2 372.513 0.935 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420188965 489946014 /nfs/dbraw/zinc/94/60/14/489946014.db2.gz UIWQEYKMDWFJAY-YVMONPNESA-N 2 2 374.485 0.196 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420192785 489947365 /nfs/dbraw/zinc/94/73/65/489947365.db2.gz IBWCKLKQULNMEP-HIFRSBDPSA-N 2 2 366.487 0.058 20 0 FCADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420196623 489948703 /nfs/dbraw/zinc/94/87/03/489948703.db2.gz AUTNKBFPJBRBGV-GBESFXJTSA-N 2 2 370.497 0.835 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000420313059 489962813 /nfs/dbraw/zinc/96/28/13/489962813.db2.gz TXVQPXZDGYMPQN-CYZMBNFOSA-N 2 2 352.460 0.856 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000420313059 489962816 /nfs/dbraw/zinc/96/28/16/489962816.db2.gz TXVQPXZDGYMPQN-CYZMBNFOSA-N 2 2 352.460 0.856 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420329312 489963580 /nfs/dbraw/zinc/96/35/80/489963580.db2.gz JGPUTJJFCPNLTL-QFWMXSHPSA-N 2 2 352.460 0.033 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420329312 489963584 /nfs/dbraw/zinc/96/35/84/489963584.db2.gz JGPUTJJFCPNLTL-QFWMXSHPSA-N 2 2 352.460 0.033 20 0 FCADLP CCCCN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000420355635 489967429 /nfs/dbraw/zinc/96/74/29/489967429.db2.gz CDCZEWPCRLAEHA-WBTNSWJXSA-N 2 2 359.536 0.778 20 0 FCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420373588 489968193 /nfs/dbraw/zinc/96/81/93/489968193.db2.gz MOIPQAFEJRXDFM-IKGGRYGDSA-N 2 2 355.504 0.319 20 0 FCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420373588 489968197 /nfs/dbraw/zinc/96/81/97/489968197.db2.gz MOIPQAFEJRXDFM-IKGGRYGDSA-N 2 2 355.504 0.319 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420382373 489969746 /nfs/dbraw/zinc/96/97/46/489969746.db2.gz PRPOYTHWFOWBCJ-FZMZJTMJSA-N 2 2 368.503 0.806 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420382373 489969747 /nfs/dbraw/zinc/96/97/47/489969747.db2.gz PRPOYTHWFOWBCJ-FZMZJTMJSA-N 2 2 368.503 0.806 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1C ZINC000420378168 489970050 /nfs/dbraw/zinc/97/00/50/489970050.db2.gz WYQYWUNJLGQWPV-SIMVJXQJSA-N 2 2 368.503 0.865 20 0 FCADLP [NH3+]C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCO1 ZINC000420386696 489970701 /nfs/dbraw/zinc/97/07/01/489970701.db2.gz JJSSGKQQPWDKSE-MRXNPFEDSA-N 2 2 352.504 0.442 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462392656 489973010 /nfs/dbraw/zinc/97/30/10/489973010.db2.gz GCUSUKYIILMIIC-LRDDRELGSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462392656 489973014 /nfs/dbraw/zinc/97/30/14/489973014.db2.gz GCUSUKYIILMIIC-LRDDRELGSA-N 2 2 352.460 0.346 20 0 FCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000462397582 489973073 /nfs/dbraw/zinc/97/30/73/489973073.db2.gz VPWNZXJQPPMKDV-GOSISDBHSA-N 2 2 360.414 0.791 20 0 FCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000462397582 489973077 /nfs/dbraw/zinc/97/30/77/489973077.db2.gz VPWNZXJQPPMKDV-GOSISDBHSA-N 2 2 360.414 0.791 20 0 FCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477660736 489982837 /nfs/dbraw/zinc/98/28/37/489982837.db2.gz LJPFAMVMFOLRRW-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000477684225 489985133 /nfs/dbraw/zinc/98/51/33/489985133.db2.gz XDEJKPFDBNUXLO-CQSZACIVSA-N 2 2 363.462 0.343 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000477684224 489985164 /nfs/dbraw/zinc/98/51/64/489985164.db2.gz XDEJKPFDBNUXLO-AWEZNQCLSA-N 2 2 363.462 0.343 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000377964375 489988229 /nfs/dbraw/zinc/98/82/29/489988229.db2.gz VVYLHFKHSBIDQA-SFHVURJKSA-N 2 2 373.501 0.715 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000377964375 489988232 /nfs/dbraw/zinc/98/82/32/489988232.db2.gz VVYLHFKHSBIDQA-SFHVURJKSA-N 2 2 373.501 0.715 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000571148001 491288410 /nfs/dbraw/zinc/28/84/10/491288410.db2.gz IYRARWHRTCKSJR-INIZCTEOSA-N 2 2 374.489 0.419 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000477935380 489997367 /nfs/dbraw/zinc/99/73/67/489997367.db2.gz JSYTZZQHEFJOTR-DNVCBOLYSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377875 490000207 /nfs/dbraw/zinc/00/02/07/490000207.db2.gz GDKFLCMXFRHBPE-HUUCEWRRSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377875 490000211 /nfs/dbraw/zinc/00/02/11/490000211.db2.gz GDKFLCMXFRHBPE-HUUCEWRRSA-N 2 2 353.488 0.877 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCc3ccncc3)CC2)CC1 ZINC000420612404 490002306 /nfs/dbraw/zinc/00/23/06/490002306.db2.gz OQMQPPJSJYZQFY-UHFFFAOYSA-N 2 2 373.501 0.716 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCc3ccncc3)CC2)CC1 ZINC000420612404 490002310 /nfs/dbraw/zinc/00/23/10/490002310.db2.gz OQMQPPJSJYZQFY-UHFFFAOYSA-N 2 2 373.501 0.716 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000437090934 490019234 /nfs/dbraw/zinc/01/92/34/490019234.db2.gz JCJTWIJCIOAJGY-AAEUAGOBSA-N 2 2 372.457 0.920 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@H+]1C ZINC000437090934 490019236 /nfs/dbraw/zinc/01/92/36/490019236.db2.gz JCJTWIJCIOAJGY-AAEUAGOBSA-N 2 2 372.457 0.920 20 0 FCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)ccn1 ZINC000463487629 490020169 /nfs/dbraw/zinc/02/01/69/490020169.db2.gz YUQDICXAIVKGQE-SFHVURJKSA-N 2 2 370.453 0.738 20 0 FCADLP COc1ccncc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000437453805 490023047 /nfs/dbraw/zinc/02/30/47/490023047.db2.gz XFPBQGVRBGODTI-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COc1ccncc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000437453805 490023050 /nfs/dbraw/zinc/02/30/50/490023050.db2.gz XFPBQGVRBGODTI-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420899502 490029793 /nfs/dbraw/zinc/02/97/93/490029793.db2.gz JPGCRYQJSDCJCG-ODIFPOPNSA-N 2 2 365.522 0.854 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463859913 490031301 /nfs/dbraw/zinc/03/13/01/490031301.db2.gz XCHSNWFMMWXIFH-KRWDZBQOSA-N 2 2 361.552 0.996 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463859913 490031306 /nfs/dbraw/zinc/03/13/06/490031306.db2.gz XCHSNWFMMWXIFH-KRWDZBQOSA-N 2 2 361.552 0.996 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000378236548 490032177 /nfs/dbraw/zinc/03/21/77/490032177.db2.gz FEDOXHVJXIVEDH-HNNXBMFYSA-N 2 2 362.478 0.532 20 0 FCADLP O=C(NCCC[NH+]1CCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438301386 490032757 /nfs/dbraw/zinc/03/27/57/490032757.db2.gz GCOFFSJSYHGRPK-UHFFFAOYSA-N 2 2 350.467 0.823 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000564218356 491295190 /nfs/dbraw/zinc/29/51/90/491295190.db2.gz VCPRTPMELGZKBM-QGZVFWFLSA-N 2 2 354.882 0.867 20 0 FCADLP C[C@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000438331632 490034808 /nfs/dbraw/zinc/03/48/08/490034808.db2.gz OOCAWRSEGVOSPC-LSDHHAIUSA-N 2 2 350.467 0.820 20 0 FCADLP C[C@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000438331632 490034812 /nfs/dbraw/zinc/03/48/12/490034812.db2.gz OOCAWRSEGVOSPC-LSDHHAIUSA-N 2 2 350.467 0.820 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420963549 490035460 /nfs/dbraw/zinc/03/54/60/490035460.db2.gz VOSDRTJNZSHCBV-MRXNPFEDSA-N 2 2 350.488 0.603 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000420963549 490035463 /nfs/dbraw/zinc/03/54/63/490035463.db2.gz VOSDRTJNZSHCBV-MRXNPFEDSA-N 2 2 350.488 0.603 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000478798611 490038212 /nfs/dbraw/zinc/03/82/12/490038212.db2.gz HGGREYPTJVUIQC-CABCVRRESA-N 2 2 362.478 0.215 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000478798611 490038216 /nfs/dbraw/zinc/03/82/16/490038216.db2.gz HGGREYPTJVUIQC-CABCVRRESA-N 2 2 362.478 0.215 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC(=O)NCC(C)C)CC2)CC1 ZINC000421013493 490043017 /nfs/dbraw/zinc/04/30/17/490043017.db2.gz REWIFGPUJZFKIM-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC(=O)NCC(C)C)CC2)CC1 ZINC000421013493 490043025 /nfs/dbraw/zinc/04/30/25/490043025.db2.gz REWIFGPUJZFKIM-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)NC(=O)NCC(C)C)CC2)CC1 ZINC000421013493 490043030 /nfs/dbraw/zinc/04/30/30/490043030.db2.gz REWIFGPUJZFKIM-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)NC(=O)NCC(C)C)CC2)CC1 ZINC000421013493 490043035 /nfs/dbraw/zinc/04/30/35/490043035.db2.gz REWIFGPUJZFKIM-UHFFFAOYSA-N 2 2 367.538 0.960 20 0 FCADLP C[C@@H]1[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000478855385 490043540 /nfs/dbraw/zinc/04/35/40/490043540.db2.gz FVSOSTRMUHURNA-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000478855385 490043544 /nfs/dbraw/zinc/04/35/44/490043544.db2.gz FVSOSTRMUHURNA-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855385 490043547 /nfs/dbraw/zinc/04/35/47/490043547.db2.gz FVSOSTRMUHURNA-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855385 490043551 /nfs/dbraw/zinc/04/35/51/490043551.db2.gz FVSOSTRMUHURNA-UKRRQHHQSA-N 2 2 364.515 0.821 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000556109890 491295674 /nfs/dbraw/zinc/29/56/74/491295674.db2.gz MVKITQQAMRNLRF-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000556109890 491295675 /nfs/dbraw/zinc/29/56/75/491295675.db2.gz MVKITQQAMRNLRF-XHSDSOJGSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@@H+]1C ZINC000478855384 490044460 /nfs/dbraw/zinc/04/44/60/490044460.db2.gz FVSOSTRMUHURNA-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CCC[N@H+]1C ZINC000478855384 490044466 /nfs/dbraw/zinc/04/44/66/490044466.db2.gz FVSOSTRMUHURNA-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855384 490044469 /nfs/dbraw/zinc/04/44/69/490044469.db2.gz FVSOSTRMUHURNA-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CCC[NH+]1C ZINC000478855384 490044471 /nfs/dbraw/zinc/04/44/71/490044471.db2.gz FVSOSTRMUHURNA-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478878292 490047824 /nfs/dbraw/zinc/04/78/24/490047824.db2.gz YWCMUALWYWDRRI-KRWDZBQOSA-N 2 2 358.442 0.827 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000441034555 490050425 /nfs/dbraw/zinc/05/04/25/490050425.db2.gz PQFJJAVZVNQNAU-UHFFFAOYSA-N 2 2 362.526 0.510 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421170652 490051511 /nfs/dbraw/zinc/05/15/11/490051511.db2.gz GRANYURZINZANP-HNNXBMFYSA-N 2 2 357.458 0.841 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421170652 490051515 /nfs/dbraw/zinc/05/15/15/490051515.db2.gz GRANYURZINZANP-HNNXBMFYSA-N 2 2 357.458 0.841 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421173340 490051810 /nfs/dbraw/zinc/05/18/10/490051810.db2.gz NLJIOZDXFMLJKW-INIZCTEOSA-N 2 2 357.458 0.934 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000421173340 490051815 /nfs/dbraw/zinc/05/18/15/490051815.db2.gz NLJIOZDXFMLJKW-INIZCTEOSA-N 2 2 357.458 0.934 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](CO)[C@H](O)C3)CC2)c1 ZINC000564252612 491296441 /nfs/dbraw/zinc/29/64/41/491296441.db2.gz VSHZPMZXSUBHKL-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](CO)[C@H](O)C3)CC2)c1 ZINC000564252612 491296443 /nfs/dbraw/zinc/29/64/43/491296443.db2.gz VSHZPMZXSUBHKL-RTBURBONSA-N 2 2 361.486 0.314 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000464900859 490072770 /nfs/dbraw/zinc/07/27/70/490072770.db2.gz ZKJZWHFUHIIMJZ-JKSUJKDBSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000464900859 490072772 /nfs/dbraw/zinc/07/27/72/490072772.db2.gz ZKJZWHFUHIIMJZ-JKSUJKDBSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000479191462 490073257 /nfs/dbraw/zinc/07/32/57/490073257.db2.gz SHTIXXBZNINZDD-CXAGYDPISA-N 2 2 362.449 0.679 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCSCC1 ZINC000491051494 490074820 /nfs/dbraw/zinc/07/48/20/490074820.db2.gz JPOVJRXUISMXJP-UHFFFAOYSA-N 3 2 357.568 0.703 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCSCC1 ZINC000491051494 490074824 /nfs/dbraw/zinc/07/48/24/490074824.db2.gz JPOVJRXUISMXJP-UHFFFAOYSA-N 3 2 357.568 0.703 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[NH+]1CCOCC1 ZINC000495464227 490078084 /nfs/dbraw/zinc/07/80/84/490078084.db2.gz BOOPAWXLZKZKCC-LSDHHAIUSA-N 2 2 363.524 0.002 20 0 FCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH+](CC(F)F)CC1 ZINC000519768499 490079930 /nfs/dbraw/zinc/07/99/30/490079930.db2.gz LZGVGTITOPUGFJ-GFCCVEGCSA-N 2 2 372.382 0.916 20 0 FCADLP CS(=O)(=O)C1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC[NH2+]CC1 ZINC000519822143 490091222 /nfs/dbraw/zinc/09/12/22/490091222.db2.gz FRWNIEQABIEVHD-UHFFFAOYSA-N 2 2 362.455 0.860 20 0 FCADLP C[N@@H+]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000545207909 490098381 /nfs/dbraw/zinc/09/83/81/490098381.db2.gz MJCISFVKGXONMH-UHFFFAOYSA-N 2 2 359.536 0.989 20 0 FCADLP C[N@H+]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C2(CCCCC2)C1 ZINC000545207909 490098385 /nfs/dbraw/zinc/09/83/85/490098385.db2.gz MJCISFVKGXONMH-UHFFFAOYSA-N 2 2 359.536 0.989 20 0 FCADLP O=C(CC[NH2+]C1CC1)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000571297408 491299186 /nfs/dbraw/zinc/29/91/86/491299186.db2.gz MRBYQQWFJUXEQX-UHFFFAOYSA-N 2 2 362.449 0.842 20 0 FCADLP COCC[NH+](CCOC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000532753419 490107516 /nfs/dbraw/zinc/10/75/16/490107516.db2.gz BRWUIJJKMBMLLN-UHFFFAOYSA-N 2 2 355.504 0.987 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000564311040 491300051 /nfs/dbraw/zinc/30/00/51/491300051.db2.gz JUFXUMXFJDNDQJ-JTQLQIEISA-N 2 2 367.400 0.805 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000479757268 490123731 /nfs/dbraw/zinc/12/37/31/490123731.db2.gz SRDVFGGBTAKFDY-GBOPCIDUSA-N 2 2 366.487 0.051 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000479757268 490123741 /nfs/dbraw/zinc/12/37/41/490123741.db2.gz SRDVFGGBTAKFDY-GBOPCIDUSA-N 2 2 366.487 0.051 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC(O)C1 ZINC000545388023 490127564 /nfs/dbraw/zinc/12/75/64/490127564.db2.gz KWPHHQLNIRZHDW-UHFFFAOYSA-N 2 2 359.470 0.721 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC(O)C1 ZINC000545388023 490127568 /nfs/dbraw/zinc/12/75/68/490127568.db2.gz KWPHHQLNIRZHDW-UHFFFAOYSA-N 2 2 359.470 0.721 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)CC1 ZINC000422025904 490128121 /nfs/dbraw/zinc/12/81/21/490128121.db2.gz SSTUBAXTBNLSIK-SFHVURJKSA-N 3 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)CC1 ZINC000422025904 490128127 /nfs/dbraw/zinc/12/81/27/490128127.db2.gz SSTUBAXTBNLSIK-SFHVURJKSA-N 3 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC000422025904 490128132 /nfs/dbraw/zinc/12/81/32/490128132.db2.gz SSTUBAXTBNLSIK-SFHVURJKSA-N 3 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC000422025904 490128138 /nfs/dbraw/zinc/12/81/38/490128138.db2.gz SSTUBAXTBNLSIK-SFHVURJKSA-N 3 2 352.523 0.726 20 0 FCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000479879885 490132033 /nfs/dbraw/zinc/13/20/33/490132033.db2.gz LLDDACJZMIWBFW-OAHLLOKOSA-N 2 2 352.479 0.942 20 0 FCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000479879885 490132040 /nfs/dbraw/zinc/13/20/40/490132040.db2.gz LLDDACJZMIWBFW-OAHLLOKOSA-N 2 2 352.479 0.942 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497050982 490137807 /nfs/dbraw/zinc/13/78/07/490137807.db2.gz YOOLHVNZXUFEKO-XDNAFOTISA-N 2 2 371.522 0.272 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497050982 490137812 /nfs/dbraw/zinc/13/78/12/490137812.db2.gz YOOLHVNZXUFEKO-XDNAFOTISA-N 2 2 371.522 0.272 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000564347198 491302314 /nfs/dbraw/zinc/30/23/14/491302314.db2.gz GVGYNVOSRBESIS-KBPBESRZSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000564347198 491302316 /nfs/dbraw/zinc/30/23/16/491302316.db2.gz GVGYNVOSRBESIS-KBPBESRZSA-N 2 2 359.430 0.195 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000479976429 490143113 /nfs/dbraw/zinc/14/31/13/490143113.db2.gz FCVLFXXCEWFSFB-JKSUJKDBSA-N 2 2 370.538 0.648 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000465860757 490146134 /nfs/dbraw/zinc/14/61/34/490146134.db2.gz GFGMIMAFHIXFMA-YESZJQIVSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000398144850 490166743 /nfs/dbraw/zinc/16/67/43/490166743.db2.gz NKDZCFARCUKOSO-BMFZPTHFSA-N 2 2 353.488 0.528 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000398144850 490166749 /nfs/dbraw/zinc/16/67/49/490166749.db2.gz NKDZCFARCUKOSO-BMFZPTHFSA-N 2 2 353.488 0.528 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000571386929 491304195 /nfs/dbraw/zinc/30/41/95/491304195.db2.gz CTIRAJGPPXWGMX-CALCHBBNSA-N 2 2 373.505 0.240 20 0 FCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000497570119 490176648 /nfs/dbraw/zinc/17/66/48/490176648.db2.gz ABSMNEIQAJABBM-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556246666 491305727 /nfs/dbraw/zinc/30/57/27/491305727.db2.gz KQROMLUJPJJDQM-OAHLLOKOSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556246666 491305728 /nfs/dbraw/zinc/30/57/28/491305728.db2.gz KQROMLUJPJJDQM-OAHLLOKOSA-N 2 2 362.474 0.201 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000520768706 490187213 /nfs/dbraw/zinc/18/72/13/490187213.db2.gz ZTBSGTISCCTBNO-IXDOHACOSA-N 2 2 373.505 0.286 20 0 FCADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000571418579 491306444 /nfs/dbraw/zinc/30/64/44/491306444.db2.gz YXCGURMHBHLPQI-UHFFFAOYSA-N 2 2 361.895 0.924 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000571422771 491306778 /nfs/dbraw/zinc/30/67/78/491306778.db2.gz QFZNAAONURKFFO-RBSFLKMASA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000571422771 491306780 /nfs/dbraw/zinc/30/67/80/491306780.db2.gz QFZNAAONURKFFO-RBSFLKMASA-N 2 2 366.506 0.343 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000571420536 491307113 /nfs/dbraw/zinc/30/71/13/491307113.db2.gz LARISEWFVNSZNW-OAGGEKHMSA-N 2 2 351.495 0.452 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000533298753 490208731 /nfs/dbraw/zinc/20/87/31/490208731.db2.gz FSUUHAJOPCJICQ-OAHLLOKOSA-N 2 2 369.506 0.565 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000533298753 490208737 /nfs/dbraw/zinc/20/87/37/490208737.db2.gz FSUUHAJOPCJICQ-OAHLLOKOSA-N 2 2 369.506 0.565 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556280791 491307675 /nfs/dbraw/zinc/30/76/75/491307675.db2.gz GARYMZIKTXEONL-UHFFFAOYSA-N 2 2 363.506 0.924 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000520979805 490209646 /nfs/dbraw/zinc/20/96/46/490209646.db2.gz NWHIIFWIIHMYFO-AWEZNQCLSA-N 2 2 350.467 0.514 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000422259686 490212090 /nfs/dbraw/zinc/21/20/90/490212090.db2.gz LYBVKEMTYAEKGK-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000422259686 490212095 /nfs/dbraw/zinc/21/20/95/490212095.db2.gz LYBVKEMTYAEKGK-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000422259686 490212103 /nfs/dbraw/zinc/21/21/03/490212103.db2.gz LYBVKEMTYAEKGK-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000422259686 490212108 /nfs/dbraw/zinc/21/21/08/490212108.db2.gz LYBVKEMTYAEKGK-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000422268675 490218027 /nfs/dbraw/zinc/21/80/27/490218027.db2.gz MINMXIWBXRUWQI-HNNXBMFYSA-N 2 2 364.515 0.775 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000422268675 490218031 /nfs/dbraw/zinc/21/80/31/490218031.db2.gz MINMXIWBXRUWQI-HNNXBMFYSA-N 2 2 364.515 0.775 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000422268675 490218038 /nfs/dbraw/zinc/21/80/38/490218038.db2.gz MINMXIWBXRUWQI-HNNXBMFYSA-N 2 2 364.515 0.775 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000422268675 490218042 /nfs/dbraw/zinc/21/80/42/490218042.db2.gz MINMXIWBXRUWQI-HNNXBMFYSA-N 2 2 364.515 0.775 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@]1(CO)CCOC1 ZINC000546602154 490221845 /nfs/dbraw/zinc/22/18/45/490221845.db2.gz NRKWQJNWFILFRB-KRWDZBQOSA-N 2 2 353.488 0.476 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@]1(CO)CCOC1 ZINC000546602154 490221847 /nfs/dbraw/zinc/22/18/47/490221847.db2.gz NRKWQJNWFILFRB-KRWDZBQOSA-N 2 2 353.488 0.476 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CCOC)CC2)CC1 ZINC000422287543 490231138 /nfs/dbraw/zinc/23/11/38/490231138.db2.gz QINDWQDFVKOWBL-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CCOC)CC2)CC1 ZINC000422287543 490231149 /nfs/dbraw/zinc/23/11/49/490231149.db2.gz QINDWQDFVKOWBL-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP COCC[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCOC1 ZINC000447399365 490231746 /nfs/dbraw/zinc/23/17/46/490231746.db2.gz XJFSMQAKCJEWPO-SFHVURJKSA-N 2 2 351.447 0.709 20 0 FCADLP CSCC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000497945850 490235970 /nfs/dbraw/zinc/23/59/70/490235970.db2.gz DQJIWWIGTYVRGI-CQSZACIVSA-N 2 2 365.503 0.317 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000422294494 490237671 /nfs/dbraw/zinc/23/76/71/490237671.db2.gz LDQQZNJHMSILLE-XHSDSOJGSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000422294494 490237677 /nfs/dbraw/zinc/23/76/77/490237677.db2.gz LDQQZNJHMSILLE-XHSDSOJGSA-N 2 2 354.495 0.153 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000498033684 490247099 /nfs/dbraw/zinc/24/70/99/490247099.db2.gz VSURCDPBZWJXRI-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000498033684 490247108 /nfs/dbraw/zinc/24/71/08/490247108.db2.gz VSURCDPBZWJXRI-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000498033684 490247112 /nfs/dbraw/zinc/24/71/12/490247112.db2.gz VSURCDPBZWJXRI-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000498033684 490247119 /nfs/dbraw/zinc/24/71/19/490247119.db2.gz VSURCDPBZWJXRI-KURKYZTESA-N 2 2 369.554 0.357 20 0 FCADLP C[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC[NH2+]C1 ZINC000498043100 490249579 /nfs/dbraw/zinc/24/95/79/490249579.db2.gz UVWQVLKZOGSRJN-IBGZPJMESA-N 2 2 374.489 0.352 20 0 FCADLP C[C@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC[NH2+]C1 ZINC000498043100 490249585 /nfs/dbraw/zinc/24/95/85/490249585.db2.gz UVWQVLKZOGSRJN-IBGZPJMESA-N 2 2 374.489 0.352 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000571520469 491312877 /nfs/dbraw/zinc/31/28/77/491312877.db2.gz DAQMIRPDLJOSQO-OAHLLOKOSA-N 2 2 373.436 0.957 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000571520469 491312879 /nfs/dbraw/zinc/31/28/79/491312879.db2.gz DAQMIRPDLJOSQO-OAHLLOKOSA-N 2 2 373.436 0.957 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000447901549 490284152 /nfs/dbraw/zinc/28/41/52/490284152.db2.gz CHIOXGLCRBRAOZ-CVEARBPZSA-N 2 2 353.488 0.522 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CSCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000533812089 490286800 /nfs/dbraw/zinc/28/68/00/490286800.db2.gz NTZVWIIPHGWQNM-ZIAGYGMSSA-N 2 2 364.475 0.522 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000422384839 490292162 /nfs/dbraw/zinc/29/21/62/490292162.db2.gz WRYZJAIETUSILB-INIZCTEOSA-N 2 2 362.474 0.932 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000422384839 490292173 /nfs/dbraw/zinc/29/21/73/490292173.db2.gz WRYZJAIETUSILB-INIZCTEOSA-N 2 2 362.474 0.932 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC000521994887 490322865 /nfs/dbraw/zinc/32/28/65/490322865.db2.gz ITZMXVAHIJEGSE-FCEWJHQRSA-N 2 2 363.502 0.991 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC000521994887 490322872 /nfs/dbraw/zinc/32/28/72/490322872.db2.gz ITZMXVAHIJEGSE-FCEWJHQRSA-N 2 2 363.502 0.991 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000467639412 490324595 /nfs/dbraw/zinc/32/45/95/490324595.db2.gz IZXOUWCBMSZXEW-BZUAXINKSA-N 2 2 359.536 0.827 20 0 FCADLP O=C(NC1C[NH2+]C1)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000564643679 491317869 /nfs/dbraw/zinc/31/78/69/491317869.db2.gz QRBAIJHSDVSNAJ-UHFFFAOYSA-N 2 2 361.833 0.653 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000422456901 490330954 /nfs/dbraw/zinc/33/09/54/490330954.db2.gz RTTFLWXHLMDPNQ-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000422456901 490330957 /nfs/dbraw/zinc/33/09/57/490330957.db2.gz RTTFLWXHLMDPNQ-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000483634276 490334083 /nfs/dbraw/zinc/33/40/83/490334083.db2.gz PXQUVSCRRQIUOU-SFHVURJKSA-N 2 2 374.485 0.411 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000483634276 490334091 /nfs/dbraw/zinc/33/40/91/490334091.db2.gz PXQUVSCRRQIUOU-SFHVURJKSA-N 2 2 374.485 0.411 20 0 FCADLP CCN1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1=O ZINC000547647549 490334831 /nfs/dbraw/zinc/33/48/31/490334831.db2.gz ULYXUTYGBKJLIV-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP CCN1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1=O ZINC000547647549 490334836 /nfs/dbraw/zinc/33/48/36/490334836.db2.gz ULYXUTYGBKJLIV-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000522188878 490351464 /nfs/dbraw/zinc/35/14/64/490351464.db2.gz LDWKMDIKUZRLRA-QGZVFWFLSA-N 2 2 350.507 0.779 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000522188878 490351467 /nfs/dbraw/zinc/35/14/67/490351467.db2.gz LDWKMDIKUZRLRA-QGZVFWFLSA-N 2 2 350.507 0.779 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]12CCC(=O)N1CCS2 ZINC000522191764 490352080 /nfs/dbraw/zinc/35/20/80/490352080.db2.gz HCKOYRWJTMVVSO-QGZVFWFLSA-N 2 2 354.520 0.536 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]12CCC(=O)N1CCS2 ZINC000522191764 490352087 /nfs/dbraw/zinc/35/20/87/490352087.db2.gz HCKOYRWJTMVVSO-QGZVFWFLSA-N 2 2 354.520 0.536 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000498858284 490354389 /nfs/dbraw/zinc/35/43/89/490354389.db2.gz KONTUSHOZDWFOE-MRXNPFEDSA-N 2 2 374.489 0.383 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000498858284 490354397 /nfs/dbraw/zinc/35/43/97/490354397.db2.gz KONTUSHOZDWFOE-MRXNPFEDSA-N 2 2 374.489 0.383 20 0 FCADLP C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1CC[NH+](CCO)CC1 ZINC000483954085 490362675 /nfs/dbraw/zinc/36/26/75/490362675.db2.gz XLNQGMVZOOLBJS-UHFFFAOYSA-N 2 2 369.531 0.837 20 0 FCADLP C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1CC[NH+](CCO)CC1 ZINC000483954085 490362680 /nfs/dbraw/zinc/36/26/80/490362680.db2.gz XLNQGMVZOOLBJS-UHFFFAOYSA-N 2 2 369.531 0.837 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000498934267 490365096 /nfs/dbraw/zinc/36/50/96/490365096.db2.gz AGWZHRLQTPTPHS-IAGOWNOFSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000498934267 490365102 /nfs/dbraw/zinc/36/51/02/490365102.db2.gz AGWZHRLQTPTPHS-IAGOWNOFSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000498934267 490365108 /nfs/dbraw/zinc/36/51/08/490365108.db2.gz AGWZHRLQTPTPHS-IAGOWNOFSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1C[C@@H](C)O ZINC000498934267 490365109 /nfs/dbraw/zinc/36/51/09/490365109.db2.gz AGWZHRLQTPTPHS-IAGOWNOFSA-N 2 2 366.506 0.058 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000564729366 491323221 /nfs/dbraw/zinc/32/32/21/491323221.db2.gz OLJRBDLIBOKVAJ-HUUCEWRRSA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000564729366 491323223 /nfs/dbraw/zinc/32/32/23/491323223.db2.gz OLJRBDLIBOKVAJ-HUUCEWRRSA-N 2 2 361.442 0.080 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000498993242 490376945 /nfs/dbraw/zinc/37/69/45/490376945.db2.gz ZTMKYULVHNVPBU-CYBMUJFWSA-N 2 2 350.419 0.502 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000498993242 490376949 /nfs/dbraw/zinc/37/69/49/490376949.db2.gz ZTMKYULVHNVPBU-CYBMUJFWSA-N 2 2 350.419 0.502 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410993014 490377016 /nfs/dbraw/zinc/37/70/16/490377016.db2.gz YCKJGECHTXIRMV-ARFHVFGLSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410993014 490377024 /nfs/dbraw/zinc/37/70/24/490377024.db2.gz YCKJGECHTXIRMV-ARFHVFGLSA-N 2 2 374.489 0.168 20 0 FCADLP O[C@@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)Cn1cccn1 ZINC000564722875 491322744 /nfs/dbraw/zinc/32/27/44/491322744.db2.gz WJSDEMLIICPFLV-SFHVURJKSA-N 2 2 360.458 0.745 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000534665124 490394042 /nfs/dbraw/zinc/39/40/42/490394042.db2.gz MQKORKBOWSMNTQ-MAUKXSAKSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000534665124 490394051 /nfs/dbraw/zinc/39/40/51/490394051.db2.gz MQKORKBOWSMNTQ-MAUKXSAKSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)[C@@H]1CCNC1=O ZINC000534665123 490394738 /nfs/dbraw/zinc/39/47/38/490394738.db2.gz MQKORKBOWSMNTQ-CRAIPNDOSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000534665123 490394743 /nfs/dbraw/zinc/39/47/43/490394743.db2.gz MQKORKBOWSMNTQ-CRAIPNDOSA-N 2 2 358.486 0.976 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547982564 490401380 /nfs/dbraw/zinc/40/13/80/490401380.db2.gz FTEJHALBGLSWRK-MRXNPFEDSA-N 2 2 354.458 0.921 20 0 FCADLP CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000564741819 491324017 /nfs/dbraw/zinc/32/40/17/491324017.db2.gz VXKLAKFFNSINKK-SJORKVTESA-N 2 2 359.474 0.856 20 0 FCADLP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000564741819 491324019 /nfs/dbraw/zinc/32/40/19/491324019.db2.gz VXKLAKFFNSINKK-SJORKVTESA-N 2 2 359.474 0.856 20 0 FCADLP CC[N@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000564741818 491324053 /nfs/dbraw/zinc/32/40/53/491324053.db2.gz VXKLAKFFNSINKK-IRXDYDNUSA-N 2 2 359.474 0.856 20 0 FCADLP CC[N@@H+](CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000564741818 491324055 /nfs/dbraw/zinc/32/40/55/491324055.db2.gz VXKLAKFFNSINKK-IRXDYDNUSA-N 2 2 359.474 0.856 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000571705103 491324112 /nfs/dbraw/zinc/32/41/12/491324112.db2.gz OJIRNBZNVBCYHF-UHFFFAOYSA-N 2 2 361.490 0.867 20 0 FCADLP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000564755685 491325097 /nfs/dbraw/zinc/32/50/97/491325097.db2.gz NLWUQKRXQQWVRN-OAHLLOKOSA-N 2 2 365.478 0.131 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000571744341 491325960 /nfs/dbraw/zinc/32/59/60/491325960.db2.gz JTKOINKHEQYTCM-ZMSDIMECSA-N 2 2 354.520 0.445 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000556673449 491326692 /nfs/dbraw/zinc/32/66/92/491326692.db2.gz NUGIAURIBHOCES-GASCZTMLSA-N 2 2 358.446 0.816 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000556673449 491326693 /nfs/dbraw/zinc/32/66/93/491326693.db2.gz NUGIAURIBHOCES-GASCZTMLSA-N 2 2 358.446 0.816 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000509722064 490455379 /nfs/dbraw/zinc/45/53/79/490455379.db2.gz OUFQPECNUPHZIC-UHFFFAOYSA-N 2 2 365.478 0.262 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000509722064 490455386 /nfs/dbraw/zinc/45/53/86/490455386.db2.gz OUFQPECNUPHZIC-UHFFFAOYSA-N 2 2 365.478 0.262 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000535182225 490463471 /nfs/dbraw/zinc/46/34/71/490463471.db2.gz PKCXDDOXJMXSMQ-HUUCEWRRSA-N 2 2 362.478 0.506 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000535182225 490463477 /nfs/dbraw/zinc/46/34/77/490463477.db2.gz PKCXDDOXJMXSMQ-HUUCEWRRSA-N 2 2 362.478 0.506 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422753093 490470169 /nfs/dbraw/zinc/47/01/69/490470169.db2.gz DOAZYTGTUKBFEV-MRXNPFEDSA-N 2 2 359.474 0.850 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000422771121 490475418 /nfs/dbraw/zinc/47/54/18/490475418.db2.gz XTJLZUGPJQFMID-CQSZACIVSA-N 2 2 353.488 0.751 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966226 490482768 /nfs/dbraw/zinc/48/27/68/490482768.db2.gz AUPFQMLDAQXUOK-SJLPKXTDSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000484966226 490482776 /nfs/dbraw/zinc/48/27/76/490482776.db2.gz AUPFQMLDAQXUOK-SJLPKXTDSA-N 3 2 360.502 0.804 20 0 FCADLP O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000484979191 490484745 /nfs/dbraw/zinc/48/47/45/490484745.db2.gz IDQHYNYRSQBRED-UHFFFAOYSA-N 2 2 372.469 0.835 20 0 FCADLP O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000484979191 490484752 /nfs/dbraw/zinc/48/47/52/490484752.db2.gz IDQHYNYRSQBRED-UHFFFAOYSA-N 2 2 372.469 0.835 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000523805287 490496811 /nfs/dbraw/zinc/49/68/11/490496811.db2.gz XRBJMQCKOQJXKE-UHFFFAOYSA-N 2 2 350.419 0.334 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000523805287 490496820 /nfs/dbraw/zinc/49/68/20/490496820.db2.gz XRBJMQCKOQJXKE-UHFFFAOYSA-N 2 2 350.419 0.334 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000500285353 490499195 /nfs/dbraw/zinc/49/91/95/490499195.db2.gz DMOXTZRRMIPDRP-KRWDZBQOSA-N 2 2 373.457 0.926 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000564861175 491331716 /nfs/dbraw/zinc/33/17/16/491331716.db2.gz YRJYJBFUQHFMIC-RRLIJXGGSA-N 2 2 362.536 0.650 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000564861175 491331718 /nfs/dbraw/zinc/33/17/18/491331718.db2.gz YRJYJBFUQHFMIC-RRLIJXGGSA-N 2 2 362.536 0.650 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000556744382 491332464 /nfs/dbraw/zinc/33/24/64/491332464.db2.gz RICXXGGLCPKTHU-UHFFFAOYSA-N 2 2 372.535 0.216 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c(C)s1 ZINC000423000541 490515012 /nfs/dbraw/zinc/51/50/12/490515012.db2.gz VKDCXSMWISTYQO-FZMZJTMJSA-N 2 2 361.533 1.000 20 0 FCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000423016623 490519524 /nfs/dbraw/zinc/51/95/24/490519524.db2.gz UFGCMNYWPWIQSA-UHFFFAOYSA-N 2 2 358.486 0.886 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000423019499 490521073 /nfs/dbraw/zinc/52/10/73/490521073.db2.gz VYRVOQOPJHSANB-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423019591 490521471 /nfs/dbraw/zinc/52/14/71/490521471.db2.gz WGFWRZCTKFBGMA-QGZVFWFLSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059941 490534067 /nfs/dbraw/zinc/53/40/67/490534067.db2.gz GVVCXWFIPRHBKM-HUUCEWRRSA-N 2 2 352.479 0.988 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000524464400 490540267 /nfs/dbraw/zinc/54/02/67/490540267.db2.gz NCVZECCDHMAIFS-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1CCOC ZINC000500685081 490543328 /nfs/dbraw/zinc/54/33/28/490543328.db2.gz ZGKVSCIMRKEONO-IAGOWNOFSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1CCOC ZINC000500685081 490543331 /nfs/dbraw/zinc/54/33/31/490543331.db2.gz ZGKVSCIMRKEONO-IAGOWNOFSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685081 490543334 /nfs/dbraw/zinc/54/33/34/490543334.db2.gz ZGKVSCIMRKEONO-IAGOWNOFSA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685081 490543336 /nfs/dbraw/zinc/54/33/36/490543336.db2.gz ZGKVSCIMRKEONO-IAGOWNOFSA-N 2 2 355.527 0.375 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000524590809 490545760 /nfs/dbraw/zinc/54/57/60/490545760.db2.gz PETKLPQPUQNYDI-OAHLLOKOSA-N 2 2 350.467 0.550 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000524590809 490545763 /nfs/dbraw/zinc/54/57/63/490545763.db2.gz PETKLPQPUQNYDI-OAHLLOKOSA-N 2 2 350.467 0.550 20 0 FCADLP C[N@H+](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCSC1 ZINC000536072373 490551063 /nfs/dbraw/zinc/55/10/63/490551063.db2.gz NVXPUSMQRWUYTF-ZBFHGGJFSA-N 2 2 359.561 0.748 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCSC1 ZINC000536072373 490551065 /nfs/dbraw/zinc/55/10/65/490551065.db2.gz NVXPUSMQRWUYTF-ZBFHGGJFSA-N 2 2 359.561 0.748 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485791212 490559234 /nfs/dbraw/zinc/55/92/34/490559234.db2.gz WKINVWSCFAZKCT-OAHLLOKOSA-N 2 2 371.445 0.364 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511133830 490565844 /nfs/dbraw/zinc/56/58/44/490565844.db2.gz DXUWOJPEIYWAKE-UHFFFAOYSA-N 2 2 360.458 0.081 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000536393016 490576220 /nfs/dbraw/zinc/57/62/20/490576220.db2.gz JSUHFESCFIDBST-UHFFFAOYSA-N 2 2 362.540 0.190 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000536393016 490576222 /nfs/dbraw/zinc/57/62/22/490576222.db2.gz JSUHFESCFIDBST-UHFFFAOYSA-N 2 2 362.540 0.190 20 0 FCADLP COc1cc(N2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000549477305 490583777 /nfs/dbraw/zinc/58/37/77/490583777.db2.gz QQHOYEFQGCQRAH-UHFFFAOYSA-N 2 2 350.438 0.730 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000486025605 490585312 /nfs/dbraw/zinc/58/53/12/490585312.db2.gz CMMZBFSSULXTHR-GOSISDBHSA-N 2 2 358.486 0.919 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000486025605 490585314 /nfs/dbraw/zinc/58/53/14/490585314.db2.gz CMMZBFSSULXTHR-GOSISDBHSA-N 2 2 358.486 0.919 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000549531196 490587748 /nfs/dbraw/zinc/58/77/48/490587748.db2.gz VWORVEKXYHATPN-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536543384 490589071 /nfs/dbraw/zinc/58/90/71/490589071.db2.gz YCBYMTCKUKPXKH-NVXWUHKLSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536543384 490589074 /nfs/dbraw/zinc/58/90/74/490589074.db2.gz YCBYMTCKUKPXKH-NVXWUHKLSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@]1(F)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@](C)(F)C3)CC2)C1 ZINC000501421920 490602430 /nfs/dbraw/zinc/60/24/30/490602430.db2.gz BKXTWPCLKXMRPD-ROUUACIJSA-N 2 2 372.460 0.525 20 0 FCADLP C[C@]1(F)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(F)C3)CC2)C1 ZINC000501421920 490602432 /nfs/dbraw/zinc/60/24/32/490602432.db2.gz BKXTWPCLKXMRPD-ROUUACIJSA-N 2 2 372.460 0.525 20 0 FCADLP CC[C@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000511554183 490602828 /nfs/dbraw/zinc/60/28/28/490602828.db2.gz LZYKYSXHKDDXRP-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@H](C(=O)OC)N1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000511604605 490607251 /nfs/dbraw/zinc/60/72/51/490607251.db2.gz GPZMTPLZAPGOTJ-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000501527513 490612900 /nfs/dbraw/zinc/61/29/00/490612900.db2.gz JEOOGWBKXSYDDD-RHSMWYFYSA-N 2 2 362.478 0.913 20 0 FCADLP C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@@H+]1C ZINC000525707053 490624711 /nfs/dbraw/zinc/62/47/11/490624711.db2.gz JMYXIVNWDJWSDP-GJZGRUSLSA-N 2 2 367.519 0.912 20 0 FCADLP C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC[N@H+]1C ZINC000525707053 490624715 /nfs/dbraw/zinc/62/47/15/490624715.db2.gz JMYXIVNWDJWSDP-GJZGRUSLSA-N 2 2 367.519 0.912 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCC1CCCCC1 ZINC000486446888 490626332 /nfs/dbraw/zinc/62/63/32/490626332.db2.gz DGRIAJQDJUPMMU-KRWDZBQOSA-N 2 2 350.507 0.969 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCC1CCCCC1 ZINC000486446888 490626334 /nfs/dbraw/zinc/62/63/34/490626334.db2.gz DGRIAJQDJUPMMU-KRWDZBQOSA-N 2 2 350.507 0.969 20 0 FCADLP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449286 490628802 /nfs/dbraw/zinc/62/88/02/490628802.db2.gz INHOPEBIBJKUAP-JSGCOSHPSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486449286 490628805 /nfs/dbraw/zinc/62/88/05/490628805.db2.gz INHOPEBIBJKUAP-JSGCOSHPSA-N 2 2 365.503 0.983 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450677 490629499 /nfs/dbraw/zinc/62/94/99/490629499.db2.gz LKCAVUQQEQYMRH-YOEHRIQHSA-N 2 2 362.449 0.899 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450677 490629505 /nfs/dbraw/zinc/62/95/05/490629505.db2.gz LKCAVUQQEQYMRH-YOEHRIQHSA-N 2 2 362.449 0.899 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000550150427 490631767 /nfs/dbraw/zinc/63/17/67/490631767.db2.gz LLBOZYKFFWWEQF-JKSUJKDBSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000550150427 490631771 /nfs/dbraw/zinc/63/17/71/490631771.db2.gz LLBOZYKFFWWEQF-JKSUJKDBSA-N 2 2 354.495 0.202 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000486460363 490632217 /nfs/dbraw/zinc/63/22/17/490632217.db2.gz MQUHFJBJSKLFRE-AWEZNQCLSA-N 2 2 355.442 0.774 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000486460363 490632222 /nfs/dbraw/zinc/63/22/22/490632222.db2.gz MQUHFJBJSKLFRE-AWEZNQCLSA-N 2 2 355.442 0.774 20 0 FCADLP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460299 490632317 /nfs/dbraw/zinc/63/23/17/490632317.db2.gz MMKJBITWQTXDRN-INIZCTEOSA-N 2 2 362.449 0.680 20 0 FCADLP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460299 490632324 /nfs/dbraw/zinc/63/23/24/490632324.db2.gz MMKJBITWQTXDRN-INIZCTEOSA-N 2 2 362.449 0.680 20 0 FCADLP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459280 490632528 /nfs/dbraw/zinc/63/25/28/490632528.db2.gz KQXJOFDSLOOGFN-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459280 490632538 /nfs/dbraw/zinc/63/25/38/490632538.db2.gz KQXJOFDSLOOGFN-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP CN1CC[NH+]([C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996061 491341709 /nfs/dbraw/zinc/34/17/09/491341709.db2.gz KVAMRTNQYQLRKE-HUUCEWRRSA-N 2 2 352.504 0.531 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCOc1ccccc1 ZINC000486470264 490637216 /nfs/dbraw/zinc/63/72/16/490637216.db2.gz PPRZDVXWGGDWKE-MRXNPFEDSA-N 2 2 360.458 0.078 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCOc1ccccc1 ZINC000486470264 490637223 /nfs/dbraw/zinc/63/72/23/490637223.db2.gz PPRZDVXWGGDWKE-MRXNPFEDSA-N 2 2 360.458 0.078 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486471171 490637585 /nfs/dbraw/zinc/63/75/85/490637585.db2.gz QNEMNNFZLCLTMG-QGZVFWFLSA-N 2 2 374.485 0.386 20 0 FCADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486471171 490637591 /nfs/dbraw/zinc/63/75/91/490637591.db2.gz QNEMNNFZLCLTMG-QGZVFWFLSA-N 2 2 374.485 0.386 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000572001202 491341939 /nfs/dbraw/zinc/34/19/39/491341939.db2.gz BEWWFQKTKXAEDV-RBUKOAKNSA-N 3 2 359.518 0.385 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000550278859 490652368 /nfs/dbraw/zinc/65/23/68/490652368.db2.gz PISVYIRKMIAKNA-QGZVFWFLSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)CSCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000512100209 490657090 /nfs/dbraw/zinc/65/70/90/490657090.db2.gz OSGVNLDHRUTFNU-GEEKYZPCSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)CSCC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000512100209 490657094 /nfs/dbraw/zinc/65/70/94/490657094.db2.gz OSGVNLDHRUTFNU-GEEKYZPCSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CSCC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000512100209 490657100 /nfs/dbraw/zinc/65/71/00/490657100.db2.gz OSGVNLDHRUTFNU-GEEKYZPCSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CSCC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000512100209 490657107 /nfs/dbraw/zinc/65/71/07/490657107.db2.gz OSGVNLDHRUTFNU-GEEKYZPCSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1CN(C(=O)CSCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000512100194 490657135 /nfs/dbraw/zinc/65/71/35/490657135.db2.gz OSGVNLDHRUTFNU-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1CN(C(=O)CSCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000512100194 490657142 /nfs/dbraw/zinc/65/71/42/490657142.db2.gz OSGVNLDHRUTFNU-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1CN(C(=O)CSCC(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@H+]1C ZINC000512100194 490657150 /nfs/dbraw/zinc/65/71/50/490657150.db2.gz OSGVNLDHRUTFNU-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1CN(C(=O)CSCC(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@@H+]1C ZINC000512100194 490657157 /nfs/dbraw/zinc/65/71/57/490657157.db2.gz OSGVNLDHRUTFNU-FZKCQIBNSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)CSCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000512100210 490657465 /nfs/dbraw/zinc/65/74/65/490657465.db2.gz OSGVNLDHRUTFNU-QKPAOTATSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)CSCC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000512100210 490657469 /nfs/dbraw/zinc/65/74/69/490657469.db2.gz OSGVNLDHRUTFNU-QKPAOTATSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)CSCC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000512100210 490657476 /nfs/dbraw/zinc/65/74/76/490657476.db2.gz OSGVNLDHRUTFNU-QKPAOTATSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)CSCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000512100210 490657479 /nfs/dbraw/zinc/65/74/79/490657479.db2.gz OSGVNLDHRUTFNU-QKPAOTATSA-N 2 2 370.563 0.822 20 0 FCADLP Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000501962315 490660955 /nfs/dbraw/zinc/66/09/55/490660955.db2.gz YMDKNCYAUHVMBN-RDJZCZTQSA-N 2 2 364.494 0.575 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564984942 491343532 /nfs/dbraw/zinc/34/35/32/491343532.db2.gz LGEQPFGAXDADJT-SJORKVTESA-N 2 2 350.507 0.633 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564984942 491343534 /nfs/dbraw/zinc/34/35/34/491343534.db2.gz LGEQPFGAXDADJT-SJORKVTESA-N 2 2 350.507 0.633 20 0 FCADLP CN(C)c1nccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537271068 490665019 /nfs/dbraw/zinc/66/50/19/490665019.db2.gz MQIIJSPFVCSFQJ-UHFFFAOYSA-N 2 2 363.510 0.710 20 0 FCADLP CN(C)c1nccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537271068 490665022 /nfs/dbraw/zinc/66/50/22/490665022.db2.gz MQIIJSPFVCSFQJ-UHFFFAOYSA-N 2 2 363.510 0.710 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000512332034 490675071 /nfs/dbraw/zinc/67/50/71/490675071.db2.gz MSJGWNIFXVALBP-UHFFFAOYSA-N 2 2 356.430 0.655 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000512449354 490682215 /nfs/dbraw/zinc/68/22/15/490682215.db2.gz FVPUGKCPUJQZNH-JVSBHGNQSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000512449354 490682219 /nfs/dbraw/zinc/68/22/19/490682219.db2.gz FVPUGKCPUJQZNH-JVSBHGNQSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512449354 490682223 /nfs/dbraw/zinc/68/22/23/490682223.db2.gz FVPUGKCPUJQZNH-JVSBHGNQSA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512449354 490682226 /nfs/dbraw/zinc/68/22/26/490682226.db2.gz FVPUGKCPUJQZNH-JVSBHGNQSA-N 2 2 366.550 0.576 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000502626884 490713284 /nfs/dbraw/zinc/71/32/84/490713284.db2.gz JLWZKEXEVKFDPL-AWEZNQCLSA-N 2 2 362.478 0.579 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008941 491349401 /nfs/dbraw/zinc/34/94/01/491349401.db2.gz GZJRXIUTUIXLQW-AEFFLSMTSA-N 2 2 356.470 0.855 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008941 491349403 /nfs/dbraw/zinc/34/94/03/491349403.db2.gz GZJRXIUTUIXLQW-AEFFLSMTSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008941 491349404 /nfs/dbraw/zinc/34/94/04/491349404.db2.gz GZJRXIUTUIXLQW-AEFFLSMTSA-N 2 2 356.470 0.855 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000557008941 491349406 /nfs/dbraw/zinc/34/94/06/491349406.db2.gz GZJRXIUTUIXLQW-AEFFLSMTSA-N 2 2 356.470 0.855 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000502836653 490723933 /nfs/dbraw/zinc/72/39/33/490723933.db2.gz YNJBZHLFVWNIES-QZTJIDSGSA-N 2 2 374.485 0.962 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513463202 490731001 /nfs/dbraw/zinc/73/10/01/490731001.db2.gz JYSQOCHAMGVPEI-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005274 490740627 /nfs/dbraw/zinc/74/06/27/490740627.db2.gz CMKNXMZIUDWCCZ-MSOLQXFVSA-N 2 2 368.547 0.932 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)C1 ZINC000488005274 490740629 /nfs/dbraw/zinc/74/06/29/490740629.db2.gz CMKNXMZIUDWCCZ-MSOLQXFVSA-N 2 2 368.547 0.932 20 0 FCADLP CO[C@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1OC ZINC000488031354 490742739 /nfs/dbraw/zinc/74/27/39/490742739.db2.gz DEUBZQPJKJZFTF-HOTGVXAUSA-N 2 2 353.488 0.738 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000503282846 490749302 /nfs/dbraw/zinc/74/93/02/490749302.db2.gz BTMRWGWZQIVWSV-UHFFFAOYSA-N 2 2 362.478 0.272 20 0 FCADLP C[C@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000538839705 490753893 /nfs/dbraw/zinc/75/38/93/490753893.db2.gz TZHOVNZDTDUJBO-NVXWUHKLSA-N 2 2 366.506 0.108 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC000527797246 490760055 /nfs/dbraw/zinc/76/00/55/490760055.db2.gz BZVYFFIKALQPFP-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCO1 ZINC000527797246 490760058 /nfs/dbraw/zinc/76/00/58/490760058.db2.gz BZVYFFIKALQPFP-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CNC(=O)C[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488519147 490763056 /nfs/dbraw/zinc/76/30/56/490763056.db2.gz YSOJZYHYBFBIQU-OAHLLOKOSA-N 2 2 362.474 0.201 20 0 FCADLP CNC(=O)C[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488519147 490763059 /nfs/dbraw/zinc/76/30/59/490763059.db2.gz YSOJZYHYBFBIQU-OAHLLOKOSA-N 2 2 362.474 0.201 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488562374 490764589 /nfs/dbraw/zinc/76/45/89/490764589.db2.gz SDUUNZXNMOOQLC-HUUCEWRRSA-N 2 2 362.478 0.440 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488562374 490764591 /nfs/dbraw/zinc/76/45/91/490764591.db2.gz SDUUNZXNMOOQLC-HUUCEWRRSA-N 2 2 362.478 0.440 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1)[NH+]1CCOCC1 ZINC000503667496 490770077 /nfs/dbraw/zinc/77/00/77/490770077.db2.gz RKXRXRXXXLTGFZ-OAHLLOKOSA-N 2 2 360.458 0.840 20 0 FCADLP COC[C@@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000514590813 490772707 /nfs/dbraw/zinc/77/27/07/490772707.db2.gz JATQQIYTXGJTBG-VQIMIIECSA-N 2 2 362.474 0.385 20 0 FCADLP COC[C@@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000514590813 490772710 /nfs/dbraw/zinc/77/27/10/490772710.db2.gz JATQQIYTXGJTBG-VQIMIIECSA-N 2 2 362.474 0.385 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320954 490776461 /nfs/dbraw/zinc/77/64/61/490776461.db2.gz XCMXTTJPYVUTOM-LUKYLMHMSA-N 2 2 357.495 0.026 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000539320954 490776465 /nfs/dbraw/zinc/77/64/65/490776465.db2.gz XCMXTTJPYVUTOM-LUKYLMHMSA-N 2 2 357.495 0.026 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000539377893 490781124 /nfs/dbraw/zinc/78/11/24/490781124.db2.gz RVKFBHWROUHRSV-CYBMUJFWSA-N 2 2 358.402 0.372 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000539377893 490781126 /nfs/dbraw/zinc/78/11/26/490781126.db2.gz RVKFBHWROUHRSV-CYBMUJFWSA-N 2 2 358.402 0.372 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1)N1CCCC1 ZINC000539426220 490782924 /nfs/dbraw/zinc/78/29/24/490782924.db2.gz ONKUHLZSEBIGMN-OAHLLOKOSA-N 2 2 359.474 0.986 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1)N1CCCC1 ZINC000539426220 490782926 /nfs/dbraw/zinc/78/29/26/490782926.db2.gz ONKUHLZSEBIGMN-OAHLLOKOSA-N 2 2 359.474 0.986 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)C[C@@H](C)O1 ZINC000514789512 490788550 /nfs/dbraw/zinc/78/85/50/490788550.db2.gz CIFNXQTULOKPAL-SFFUCWETSA-N 2 2 356.507 0.614 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000557135724 491356045 /nfs/dbraw/zinc/35/60/45/491356045.db2.gz NFEQVUCNTGNTKI-INIZCTEOSA-N 2 2 360.437 0.853 20 0 FCADLP CCOC1CC(CNC(=O)NCCC[NH2+]C(C)C)([NH+]2CCOCC2)C1 ZINC000514850215 490792875 /nfs/dbraw/zinc/79/28/75/490792875.db2.gz NYTYBRODCNWYID-UHFFFAOYSA-N 2 2 356.511 0.944 20 0 FCADLP CC[NH2+]CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557139386 491356527 /nfs/dbraw/zinc/35/65/27/491356527.db2.gz DOKRITQBSHGBKY-UHFFFAOYSA-N 2 2 362.478 0.419 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000515049583 490805217 /nfs/dbraw/zinc/80/52/17/490805217.db2.gz LEPPTEVOSKMKDJ-IKGGRYGDSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091343 490808203 /nfs/dbraw/zinc/80/82/03/490808203.db2.gz FEUXAVDJNRBMTP-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091343 490808206 /nfs/dbraw/zinc/80/82/06/490808206.db2.gz FEUXAVDJNRBMTP-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091343 490808207 /nfs/dbraw/zinc/80/82/07/490808207.db2.gz FEUXAVDJNRBMTP-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[N@H+]1C1CC1 ZINC000515091345 490808328 /nfs/dbraw/zinc/80/83/28/490808328.db2.gz FEUXAVDJNRBMTP-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091345 490808330 /nfs/dbraw/zinc/80/83/30/490808330.db2.gz FEUXAVDJNRBMTP-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[NH+]1C1CC1 ZINC000515091345 490808331 /nfs/dbraw/zinc/80/83/31/490808331.db2.gz FEUXAVDJNRBMTP-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171683 490809097 /nfs/dbraw/zinc/80/90/97/490809097.db2.gz VPJXWIXPDYUVSX-RHSMWYFYSA-N 2 2 372.535 0.100 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000540171683 490809098 /nfs/dbraw/zinc/80/90/98/490809098.db2.gz VPJXWIXPDYUVSX-RHSMWYFYSA-N 2 2 372.535 0.100 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000540265928 490812318 /nfs/dbraw/zinc/81/23/18/490812318.db2.gz SZHCLSUSCYLHSJ-HZPDHXFCSA-N 2 2 368.503 0.691 20 0 FCADLP COCCc1noc(CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000528620991 490814253 /nfs/dbraw/zinc/81/42/53/490814253.db2.gz SHBDTPQICKLHDL-MRXNPFEDSA-N 2 2 352.479 0.968 20 0 FCADLP COCCc1noc(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000528620991 490814257 /nfs/dbraw/zinc/81/42/57/490814257.db2.gz SHBDTPQICKLHDL-MRXNPFEDSA-N 2 2 352.479 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)CC[NH+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322861 490817676 /nfs/dbraw/zinc/81/76/76/490817676.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CN(C)CC[NH+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322861 490817678 /nfs/dbraw/zinc/81/76/78/490817678.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322861 490817681 /nfs/dbraw/zinc/81/76/81/490817681.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322861 490817683 /nfs/dbraw/zinc/81/76/83/490817683.db2.gz ZLDHBDILOZTPKJ-ZIFCJYIRSA-N 3 2 356.555 0.414 20 0 FCADLP [NH3+]Cc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)co1 ZINC000515349957 490821025 /nfs/dbraw/zinc/82/10/25/490821025.db2.gz JAVDMKTWRFUBBV-UHFFFAOYSA-N 2 2 372.429 0.327 20 0 FCADLP [NH3+]Cc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)co1 ZINC000515349957 490821027 /nfs/dbraw/zinc/82/10/27/490821027.db2.gz JAVDMKTWRFUBBV-UHFFFAOYSA-N 2 2 372.429 0.327 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000515350965 490821229 /nfs/dbraw/zinc/82/12/29/490821229.db2.gz NPTOLEKEPWKAAL-YPMHNXCESA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000515350965 490821230 /nfs/dbraw/zinc/82/12/30/490821230.db2.gz NPTOLEKEPWKAAL-YPMHNXCESA-N 2 2 352.385 0.419 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000540469846 490823992 /nfs/dbraw/zinc/82/39/92/490823992.db2.gz NPIAWUSSLQHIEO-SFHVURJKSA-N 3 2 361.490 0.431 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000540469846 490823995 /nfs/dbraw/zinc/82/39/95/490823995.db2.gz NPIAWUSSLQHIEO-SFHVURJKSA-N 3 2 361.490 0.431 20 0 FCADLP COC(=O)c1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000572254942 491358633 /nfs/dbraw/zinc/35/86/33/491358633.db2.gz RDPXKICASDUTIP-KRWDZBQOSA-N 2 2 373.453 0.911 20 0 FCADLP COC(=O)c1cccc2c1CC[N@H+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000572254942 491358635 /nfs/dbraw/zinc/35/86/35/491358635.db2.gz RDPXKICASDUTIP-KRWDZBQOSA-N 2 2 373.453 0.911 20 0 FCADLP CCc1cc(N2CCC(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2)ncn1 ZINC000557190199 491358810 /nfs/dbraw/zinc/35/88/10/491358810.db2.gz LMSIHZFVXSJNPX-INIZCTEOSA-N 2 2 361.494 0.292 20 0 FCADLP CCc1cc(N2CCC(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2)ncn1 ZINC000557190199 491358811 /nfs/dbraw/zinc/35/88/11/491358811.db2.gz LMSIHZFVXSJNPX-INIZCTEOSA-N 2 2 361.494 0.292 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000515858571 490841861 /nfs/dbraw/zinc/84/18/61/490841861.db2.gz VRJCUPGURDDDCY-OAHLLOKOSA-N 2 2 362.478 0.202 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C)C[NH2+]1 ZINC000516027853 490846789 /nfs/dbraw/zinc/84/67/89/490846789.db2.gz ZMENLQQKZVTIKE-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516057194 490847885 /nfs/dbraw/zinc/84/78/85/490847885.db2.gz ZHFVCTPNVJVMHC-KRWDZBQOSA-N 2 2 354.458 0.723 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000572301073 491361449 /nfs/dbraw/zinc/36/14/49/491361449.db2.gz WFWJNIGTCYMFIE-KSZLIROESA-N 2 2 354.539 0.612 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000572301073 491361451 /nfs/dbraw/zinc/36/14/51/491361451.db2.gz WFWJNIGTCYMFIE-KSZLIROESA-N 2 2 354.539 0.612 20 0 FCADLP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000541077320 490849314 /nfs/dbraw/zinc/84/93/14/490849314.db2.gz OOZMFUXFKGCODW-UHFFFAOYSA-N 3 2 368.566 0.608 20 0 FCADLP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000541077320 490849317 /nfs/dbraw/zinc/84/93/17/490849317.db2.gz OOZMFUXFKGCODW-UHFFFAOYSA-N 3 2 368.566 0.608 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@H+]1C)CC2 ZINC000529751882 490872964 /nfs/dbraw/zinc/87/29/64/490872964.db2.gz IUMPVZGASWFIAQ-DNVCBOLYSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@@H+]1C)CC2 ZINC000529751882 490872966 /nfs/dbraw/zinc/87/29/66/490872966.db2.gz IUMPVZGASWFIAQ-DNVCBOLYSA-N 2 2 362.474 0.486 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cn1 ZINC000529752985 490873244 /nfs/dbraw/zinc/87/32/44/490873244.db2.gz PWOSVRZAEOMMAG-IBGZPJMESA-N 2 2 362.474 0.489 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cn1 ZINC000529752985 490873246 /nfs/dbraw/zinc/87/32/46/490873246.db2.gz PWOSVRZAEOMMAG-IBGZPJMESA-N 2 2 362.474 0.489 20 0 FCADLP CN(c1ccccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)C1CC[NH+](C)CC1 ZINC000541852906 490875717 /nfs/dbraw/zinc/87/57/17/490875717.db2.gz UJXQUMAZZOCPCL-GOSISDBHSA-N 2 2 371.485 0.953 20 0 FCADLP CN(c1ccccc1C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)C1CC[NH+](C)CC1 ZINC000541852906 490875718 /nfs/dbraw/zinc/87/57/18/490875718.db2.gz UJXQUMAZZOCPCL-GOSISDBHSA-N 2 2 371.485 0.953 20 0 FCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1N1CCCC1=O ZINC000516743560 490876408 /nfs/dbraw/zinc/87/64/08/490876408.db2.gz UOMOMNUEJGMJSY-AWEZNQCLSA-N 2 2 361.446 0.929 20 0 FCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1N1CCCC1=O ZINC000516743560 490876410 /nfs/dbraw/zinc/87/64/10/490876410.db2.gz UOMOMNUEJGMJSY-AWEZNQCLSA-N 2 2 361.446 0.929 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000517027714 490891881 /nfs/dbraw/zinc/89/18/81/490891881.db2.gz VERVDQYZGWNSAZ-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP CC(C)(CC(N)=O)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000542591942 490900757 /nfs/dbraw/zinc/90/07/57/490900757.db2.gz RNTPTDLWWCIJTA-UHFFFAOYSA-N 2 2 362.474 0.379 20 0 FCADLP CC1(C)CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000517337892 490904548 /nfs/dbraw/zinc/90/45/48/490904548.db2.gz XTBDQQYCBXVNPH-UHFFFAOYSA-N 2 2 374.489 0.514 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C2)CC1 ZINC000530528120 490910518 /nfs/dbraw/zinc/91/05/18/490910518.db2.gz CMCHKGLYLFBONH-SFHVURJKSA-N 2 2 352.523 0.727 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530654410 490917845 /nfs/dbraw/zinc/91/78/45/490917845.db2.gz NSAUBTVZESANOE-NRFANRHFSA-N 3 2 374.529 0.766 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530654410 490917846 /nfs/dbraw/zinc/91/78/46/490917846.db2.gz NSAUBTVZESANOE-NRFANRHFSA-N 3 2 374.529 0.766 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000530817910 490926541 /nfs/dbraw/zinc/92/65/41/490926541.db2.gz UXHCUVCPUAVQHH-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000530817910 490926543 /nfs/dbraw/zinc/92/65/43/490926543.db2.gz UXHCUVCPUAVQHH-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000530817910 490926545 /nfs/dbraw/zinc/92/65/45/490926545.db2.gz UXHCUVCPUAVQHH-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000530817910 490926547 /nfs/dbraw/zinc/92/65/47/490926547.db2.gz UXHCUVCPUAVQHH-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCN1C(=O)CCC1=O ZINC000518004257 490928181 /nfs/dbraw/zinc/92/81/81/490928181.db2.gz DRCLSBXBPWGWGU-UHFFFAOYSA-N 2 2 367.494 0.193 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCN1C(=O)CCC1=O ZINC000518004257 490928183 /nfs/dbraw/zinc/92/81/83/490928183.db2.gz DRCLSBXBPWGWGU-UHFFFAOYSA-N 2 2 367.494 0.193 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000557292659 491365367 /nfs/dbraw/zinc/36/53/67/491365367.db2.gz YWASZWFPGWVCFM-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000557292659 491365368 /nfs/dbraw/zinc/36/53/68/491365368.db2.gz YWASZWFPGWVCFM-SOLBZPMBSA-N 2 2 374.485 0.212 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000531131525 490942707 /nfs/dbraw/zinc/94/27/07/490942707.db2.gz FITXWHDCULXIFJ-QGZVFWFLSA-N 2 2 361.490 0.928 20 0 FCADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000557295928 491365853 /nfs/dbraw/zinc/36/58/53/491365853.db2.gz VPHWTRIPOABBKM-XWTMOSNGSA-N 2 2 363.506 0.814 20 0 FCADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000557295928 491365855 /nfs/dbraw/zinc/36/58/55/491365855.db2.gz VPHWTRIPOABBKM-XWTMOSNGSA-N 2 2 363.506 0.814 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000572383112 491366476 /nfs/dbraw/zinc/36/64/76/491366476.db2.gz UQXSDIMHQQXDDJ-DOTOQJQBSA-N 2 2 362.474 0.242 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000572383112 491366479 /nfs/dbraw/zinc/36/64/79/491366479.db2.gz UQXSDIMHQQXDDJ-DOTOQJQBSA-N 2 2 362.474 0.242 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC[N@@H+]1CCOC ZINC000519183931 490964960 /nfs/dbraw/zinc/96/49/60/490964960.db2.gz ZFASEUREWYVDQY-HNNXBMFYSA-N 2 2 351.451 0.327 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC[N@H+]1CCOC ZINC000519183931 490964963 /nfs/dbraw/zinc/96/49/63/490964963.db2.gz ZFASEUREWYVDQY-HNNXBMFYSA-N 2 2 351.451 0.327 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531678359 490970195 /nfs/dbraw/zinc/97/01/95/490970195.db2.gz CEWYLYOEDVGQES-IXDOHACOSA-N 2 2 353.511 0.175 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531678359 490970196 /nfs/dbraw/zinc/97/01/96/490970196.db2.gz CEWYLYOEDVGQES-IXDOHACOSA-N 2 2 353.511 0.175 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572396912 491367477 /nfs/dbraw/zinc/36/74/77/491367477.db2.gz YPRSXEIRKXUPCS-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572396912 491367480 /nfs/dbraw/zinc/36/74/80/491367480.db2.gz YPRSXEIRKXUPCS-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000531741785 490972457 /nfs/dbraw/zinc/97/24/57/490972457.db2.gz OJBOVBZKRTZATR-UHFFFAOYSA-N 2 2 374.489 0.386 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000519640531 490981160 /nfs/dbraw/zinc/98/11/60/490981160.db2.gz DKESJCPSXQYNIH-NVXWUHKLSA-N 3 2 366.531 0.840 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000519652395 490982433 /nfs/dbraw/zinc/98/24/33/490982433.db2.gz YOCURGNQJBDFBA-CRAIPNDOSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000519748521 490987951 /nfs/dbraw/zinc/98/79/51/490987951.db2.gz RHCQNJZYZABQQV-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000519748521 490987954 /nfs/dbraw/zinc/98/79/54/490987954.db2.gz RHCQNJZYZABQQV-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000532343160 490991365 /nfs/dbraw/zinc/99/13/65/490991365.db2.gz GHRXANXEVBJZGD-ROUUACIJSA-N 2 2 351.539 0.249 20 0 FCADLP O=C(C[NH2+]CC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000565300979 491368129 /nfs/dbraw/zinc/36/81/29/491368129.db2.gz HYGHPBPPMZDELI-INIZCTEOSA-N 2 2 374.489 0.398 20 0 FCADLP O=C(C[NH2+]CC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000565300979 491368130 /nfs/dbraw/zinc/36/81/30/491368130.db2.gz HYGHPBPPMZDELI-INIZCTEOSA-N 2 2 374.489 0.398 20 0 FCADLP CCOC(=O)[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)=O ZINC000597010163 492009578 /nfs/dbraw/zinc/00/95/78/492009578.db2.gz UTPNOUKNMSJVQD-KRWDZBQOSA-N 2 2 367.490 0.820 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000562766908 491187282 /nfs/dbraw/zinc/18/72/82/491187282.db2.gz WOZBZARTDWOCKG-GFCCVEGCSA-N 2 2 369.416 0.908 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)[C@H](C[NH3+])C1 ZINC000562766908 491187283 /nfs/dbraw/zinc/18/72/83/491187283.db2.gz WOZBZARTDWOCKG-GFCCVEGCSA-N 2 2 369.416 0.908 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000565301264 491368350 /nfs/dbraw/zinc/36/83/50/491368350.db2.gz PKBDANIUHBIRFC-QGZVFWFLSA-N 2 2 366.412 0.731 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000572517498 491375642 /nfs/dbraw/zinc/37/56/42/491375642.db2.gz UXHSGNHXXIEUDU-DZGCQCFKSA-N 2 2 357.462 0.920 20 0 FCADLP COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000572612815 491381443 /nfs/dbraw/zinc/38/14/43/491381443.db2.gz HPFMDSAMGSGSFN-LBPRGKRZSA-N 2 2 364.402 0.366 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514000 493338792 /nfs/dbraw/zinc/33/87/92/493338792.db2.gz DZJBFDTXFOMMNL-FGTMMUONSA-N 2 2 353.507 0.791 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)[NH+]1CCOCC1 ZINC000673514000 493338793 /nfs/dbraw/zinc/33/87/93/493338793.db2.gz DZJBFDTXFOMMNL-FGTMMUONSA-N 2 2 353.507 0.791 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000660280926 493339318 /nfs/dbraw/zinc/33/93/18/493339318.db2.gz KQONFYXAHWAAIP-HZPDHXFCSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000660280926 493339321 /nfs/dbraw/zinc/33/93/21/493339321.db2.gz KQONFYXAHWAAIP-HZPDHXFCSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000557705697 491392280 /nfs/dbraw/zinc/39/22/80/491392280.db2.gz QVKWUONCIMULCF-CAOSSQGBSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000557708566 491393457 /nfs/dbraw/zinc/39/34/57/491393457.db2.gz RJTHXLKVACERKN-YESZJQIVSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000557708566 491393460 /nfs/dbraw/zinc/39/34/60/491393460.db2.gz RJTHXLKVACERKN-YESZJQIVSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000668360711 493339944 /nfs/dbraw/zinc/33/99/44/493339944.db2.gz GNIPLXVGMZGBIN-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000565833703 491402260 /nfs/dbraw/zinc/40/22/60/491402260.db2.gz PSJLEMRDQNGQGR-QZTJIDSGSA-N 2 2 356.470 0.541 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CN1CC[NH+]1CCOCC1 ZINC000572990500 491406097 /nfs/dbraw/zinc/40/60/97/491406097.db2.gz CGXANMPRIDOUGI-ZSYWTGECSA-N 3 2 364.534 0.820 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000573074997 491410859 /nfs/dbraw/zinc/41/08/59/491410859.db2.gz VXXSQNZVPJSXSV-YYIAUSFCSA-N 2 2 366.506 0.189 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000565999110 491411751 /nfs/dbraw/zinc/41/17/51/491411751.db2.gz LKXFCPHJTQNJFT-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000565999110 491411753 /nfs/dbraw/zinc/41/17/53/491411753.db2.gz LKXFCPHJTQNJFT-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000573099178 491412378 /nfs/dbraw/zinc/41/23/78/491412378.db2.gz QGIBDNBGUOUDRY-KDOFPFPSSA-N 2 2 373.501 0.537 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000573108125 491413512 /nfs/dbraw/zinc/41/35/12/491413512.db2.gz GZAFBLRFLPPTBN-CQSZACIVSA-N 2 2 350.488 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H](C)[NH2+]1 ZINC000566090217 491416588 /nfs/dbraw/zinc/41/65/88/491416588.db2.gz OKVDDQVDOGOUPH-ZIAGYGMSSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCn2cc(Br)cn2)C[C@@H](C)O1 ZINC000566128333 491419319 /nfs/dbraw/zinc/41/93/19/491419319.db2.gz AHYJPSDFUQKCGH-YRGRVCCFSA-N 2 2 361.284 0.705 20 0 FCADLP COc1ccc(C[C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000573224549 491420415 /nfs/dbraw/zinc/42/04/15/491420415.db2.gz XGVNWFWMSGMURV-DZGCQCFKSA-N 2 2 350.463 0.919 20 0 FCADLP COc1ccc(C[C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000573224549 491420417 /nfs/dbraw/zinc/42/04/17/491420417.db2.gz XGVNWFWMSGMURV-DZGCQCFKSA-N 2 2 350.463 0.919 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000573235030 491421448 /nfs/dbraw/zinc/42/14/48/491421448.db2.gz YJLSNRUGFLXRNY-HOTGVXAUSA-N 2 2 374.489 0.819 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000573235030 491421452 /nfs/dbraw/zinc/42/14/52/491421452.db2.gz YJLSNRUGFLXRNY-HOTGVXAUSA-N 2 2 374.489 0.819 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000566163067 491421931 /nfs/dbraw/zinc/42/19/31/491421931.db2.gz SYXIAYXCZFVZPV-QGZVFWFLSA-N 2 2 374.485 0.598 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566195607 491424316 /nfs/dbraw/zinc/42/43/16/491424316.db2.gz CYYLECXDACNNBZ-AYDFFVQHSA-N 2 2 354.426 0.826 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566195607 491424318 /nfs/dbraw/zinc/42/43/18/491424318.db2.gz CYYLECXDACNNBZ-AYDFFVQHSA-N 2 2 354.426 0.826 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573309386 491425241 /nfs/dbraw/zinc/42/52/41/491425241.db2.gz KXOCTZFTQFADKC-BBWFWOEESA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000566201323 491425460 /nfs/dbraw/zinc/42/54/60/491425460.db2.gz XUPPLCLRJZSOOO-CVEARBPZSA-N 2 2 359.474 0.706 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCC[NH2+]C2)cn1 ZINC000573584095 491442632 /nfs/dbraw/zinc/44/26/32/491442632.db2.gz UUJAGINZCZPAMP-XHSDSOJGSA-N 2 2 352.458 0.774 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCC[NH2+]C2)cn1 ZINC000573584095 491442634 /nfs/dbraw/zinc/44/26/34/491442634.db2.gz UUJAGINZCZPAMP-XHSDSOJGSA-N 2 2 352.458 0.774 20 0 FCADLP COc1ccc([C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c2[nH+]ccn2C)cc1 ZINC000566510813 491450327 /nfs/dbraw/zinc/45/03/27/491450327.db2.gz BXPLOVZCZSDILG-OAHLLOKOSA-N 2 2 359.430 0.442 20 0 FCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000573741279 491451991 /nfs/dbraw/zinc/45/19/91/491451991.db2.gz NNMFHWKOEPVGBD-AWEZNQCLSA-N 2 2 357.414 0.488 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000566556124 491452969 /nfs/dbraw/zinc/45/29/69/491452969.db2.gz AVOZBOVQYVXFSL-SFHVURJKSA-N 2 2 360.458 0.668 20 0 FCADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668377184 493343991 /nfs/dbraw/zinc/34/39/91/493343991.db2.gz YQZMKSJZPDLKPJ-SFHVURJKSA-N 2 2 369.469 0.775 20 0 FCADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668377184 493343994 /nfs/dbraw/zinc/34/39/94/493343994.db2.gz YQZMKSJZPDLKPJ-SFHVURJKSA-N 2 2 369.469 0.775 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000566584928 491454918 /nfs/dbraw/zinc/45/49/18/491454918.db2.gz XZSRBUWZJHMSKS-QLFBSQMISA-N 2 2 359.474 0.927 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000566584928 491454919 /nfs/dbraw/zinc/45/49/19/491454919.db2.gz XZSRBUWZJHMSKS-QLFBSQMISA-N 2 2 359.474 0.927 20 0 FCADLP C[NH+](C)CCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000559154280 491455893 /nfs/dbraw/zinc/45/58/93/491455893.db2.gz RTWCEMPBVXWRQJ-INIZCTEOSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000573843261 491458660 /nfs/dbraw/zinc/45/86/60/491458660.db2.gz KHPSHQUMKYZOGH-KRWDZBQOSA-N 2 2 359.474 0.246 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000573843261 491458661 /nfs/dbraw/zinc/45/86/61/491458661.db2.gz KHPSHQUMKYZOGH-KRWDZBQOSA-N 2 2 359.474 0.246 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccc(OCC(N)=O)c2)C[C@@H](C)O1 ZINC000566673244 491459158 /nfs/dbraw/zinc/45/91/58/491459158.db2.gz FKFCRIVFRYPJBE-IIAWOOMASA-N 2 2 351.447 0.110 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000573920530 491462958 /nfs/dbraw/zinc/46/29/58/491462958.db2.gz PYESWMPWNHDQJR-LSDHHAIUSA-N 2 2 361.490 0.615 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000559360099 491466962 /nfs/dbraw/zinc/46/69/62/491466962.db2.gz XHEHKGMCKGTCCF-CVEARBPZSA-N 2 2 368.522 0.593 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000559364363 491467456 /nfs/dbraw/zinc/46/74/56/491467456.db2.gz NDMQCVDMIZUIIV-KBPBESRZSA-N 2 2 359.430 0.748 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000574023730 491469318 /nfs/dbraw/zinc/46/93/18/491469318.db2.gz MNVLAOAKRIZLQR-ZWKOTPCHSA-N 2 2 362.474 0.737 20 0 FCADLP Cc1nc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])sc1Br ZINC000574024708 491469451 /nfs/dbraw/zinc/46/94/51/491469451.db2.gz MOSFBQIISPXNBS-VIFPVBQESA-N 2 2 362.297 0.998 20 0 FCADLP Cc1nc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])sc1Br ZINC000574024708 491469453 /nfs/dbraw/zinc/46/94/53/491469453.db2.gz MOSFBQIISPXNBS-VIFPVBQESA-N 2 2 362.297 0.998 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000559392923 491470159 /nfs/dbraw/zinc/47/01/59/491470159.db2.gz NXMMIYZFIVOUTJ-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(CC)[C@H](CNC(=O)[C@H]([NH2+]C)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000574077815 491473047 /nfs/dbraw/zinc/47/30/47/491473047.db2.gz AZAFHAPRADOZGG-DLBZAZTESA-N 2 2 351.495 0.934 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC1([NH+]3CCOCC3)CC1)n2C ZINC000574112782 491475375 /nfs/dbraw/zinc/47/53/75/491475375.db2.gz UOILKAQRFRCHKN-UHFFFAOYSA-N 2 2 358.446 0.629 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000559463096 491475471 /nfs/dbraw/zinc/47/54/71/491475471.db2.gz WRARASNXOHBXDT-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000559463096 491475472 /nfs/dbraw/zinc/47/54/72/491475472.db2.gz WRARASNXOHBXDT-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000559551491 491480700 /nfs/dbraw/zinc/48/07/00/491480700.db2.gz IRZCVPRSBSALMB-QGZVFWFLSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000559551491 491480701 /nfs/dbraw/zinc/48/07/01/491480701.db2.gz IRZCVPRSBSALMB-QGZVFWFLSA-N 2 2 368.522 0.450 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000567046972 491482474 /nfs/dbraw/zinc/48/24/74/491482474.db2.gz BMEDATMWIOABLC-CABCVRRESA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000567046972 491482476 /nfs/dbraw/zinc/48/24/76/491482476.db2.gz BMEDATMWIOABLC-CABCVRRESA-N 2 2 363.462 0.422 20 0 FCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051869 491482619 /nfs/dbraw/zinc/48/26/19/491482619.db2.gz BZTUGIIXSDHKAG-UYAOXDASSA-N 2 2 372.513 0.676 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051869 491482622 /nfs/dbraw/zinc/48/26/22/491482622.db2.gz BZTUGIIXSDHKAG-UYAOXDASSA-N 3 2 372.513 0.676 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051869 491482624 /nfs/dbraw/zinc/48/26/24/491482624.db2.gz BZTUGIIXSDHKAG-UYAOXDASSA-N 3 2 372.513 0.676 20 0 FCADLP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051867 491482909 /nfs/dbraw/zinc/48/29/09/491482909.db2.gz BZTUGIIXSDHKAG-ICSRJNTNSA-N 2 2 372.513 0.676 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051867 491482910 /nfs/dbraw/zinc/48/29/10/491482910.db2.gz BZTUGIIXSDHKAG-ICSRJNTNSA-N 3 2 372.513 0.676 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567051867 491482911 /nfs/dbraw/zinc/48/29/11/491482911.db2.gz BZTUGIIXSDHKAG-ICSRJNTNSA-N 3 2 372.513 0.676 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000559670103 491490577 /nfs/dbraw/zinc/49/05/77/491490577.db2.gz FDOBSXHYWPQPCE-GDBMZVCRSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000559670103 491490578 /nfs/dbraw/zinc/49/05/78/491490578.db2.gz FDOBSXHYWPQPCE-GDBMZVCRSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000559670109 491490832 /nfs/dbraw/zinc/49/08/32/491490832.db2.gz FDOBSXHYWPQPCE-GOEBONIOSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000559670109 491490835 /nfs/dbraw/zinc/49/08/35/491490835.db2.gz FDOBSXHYWPQPCE-GOEBONIOSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000574363591 491491971 /nfs/dbraw/zinc/49/19/71/491491971.db2.gz GDLFXDOXGPISEP-JKSUJKDBSA-N 2 2 356.511 0.441 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000574363591 491491973 /nfs/dbraw/zinc/49/19/73/491491973.db2.gz GDLFXDOXGPISEP-JKSUJKDBSA-N 2 2 356.511 0.441 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000559759955 491497031 /nfs/dbraw/zinc/49/70/31/491497031.db2.gz XTTMEJHOOPATFY-OAHLLOKOSA-N 2 2 361.490 0.726 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000559759955 491497032 /nfs/dbraw/zinc/49/70/32/491497032.db2.gz XTTMEJHOOPATFY-OAHLLOKOSA-N 2 2 361.490 0.726 20 0 FCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000559780430 491498646 /nfs/dbraw/zinc/49/86/46/491498646.db2.gz JCHSRSQKBLCVQU-MRXNPFEDSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000559780430 491498647 /nfs/dbraw/zinc/49/86/47/491498647.db2.gz JCHSRSQKBLCVQU-MRXNPFEDSA-N 2 2 368.522 0.402 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000574463123 491498854 /nfs/dbraw/zinc/49/88/54/491498854.db2.gz LZDJCDMNVVEKJV-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000559931279 491510844 /nfs/dbraw/zinc/51/08/44/491510844.db2.gz PDJAEOYPVHAUOK-UHFFFAOYSA-N 2 2 361.490 0.678 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559932540 491510997 /nfs/dbraw/zinc/51/09/97/491510997.db2.gz OOTDRLMKTFUSLZ-SJORKVTESA-N 2 2 373.501 0.963 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559932540 491511000 /nfs/dbraw/zinc/51/10/00/491511000.db2.gz OOTDRLMKTFUSLZ-SJORKVTESA-N 2 2 373.501 0.963 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559932909 491511016 /nfs/dbraw/zinc/51/10/16/491511016.db2.gz VNQBZEIATIGVBF-UHFFFAOYSA-N 2 2 358.446 0.671 20 0 FCADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000574676857 491513088 /nfs/dbraw/zinc/51/30/88/491513088.db2.gz VNKZPAVCTYRYKL-HUUCEWRRSA-N 2 2 370.457 0.764 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000567536886 491513106 /nfs/dbraw/zinc/51/31/06/491513106.db2.gz RQXFSIBUYTYVLY-INIZCTEOSA-N 2 2 353.438 0.708 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560024394 491516108 /nfs/dbraw/zinc/51/61/08/491516108.db2.gz UCWVMPWSJDKODQ-HOTGVXAUSA-N 2 2 359.474 0.921 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560024394 491516110 /nfs/dbraw/zinc/51/61/10/491516110.db2.gz UCWVMPWSJDKODQ-HOTGVXAUSA-N 2 2 359.474 0.921 20 0 FCADLP COCC(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000574749890 491517499 /nfs/dbraw/zinc/51/74/99/491517499.db2.gz KWELNUAWBWKCKF-LJQANCHMSA-N 2 2 361.486 0.633 20 0 FCADLP COCC(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000574749890 491517501 /nfs/dbraw/zinc/51/75/01/491517501.db2.gz KWELNUAWBWKCKF-LJQANCHMSA-N 2 2 361.486 0.633 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000567608790 491517728 /nfs/dbraw/zinc/51/77/28/491517728.db2.gz NPAJKPNHDDTLPS-IAGOWNOFSA-N 2 2 360.458 0.044 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000567608792 491517881 /nfs/dbraw/zinc/51/78/81/491517881.db2.gz NPAJKPNHDDTLPS-SJORKVTESA-N 2 2 360.458 0.044 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)CN1CC[NH+]1CCOCC1 ZINC000567629084 491519231 /nfs/dbraw/zinc/51/92/31/491519231.db2.gz UBBRGTGRYLUBKQ-MSOLQXFVSA-N 2 2 358.486 0.852 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574791792 491520133 /nfs/dbraw/zinc/52/01/33/491520133.db2.gz OTBXMDCESUIXKS-MRXNPFEDSA-N 2 2 355.442 0.675 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574791792 491520134 /nfs/dbraw/zinc/52/01/34/491520134.db2.gz OTBXMDCESUIXKS-MRXNPFEDSA-N 2 2 355.442 0.675 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574875611 491524986 /nfs/dbraw/zinc/52/49/86/491524986.db2.gz WTXNREPJSSZZIX-CVEARBPZSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574875611 491524988 /nfs/dbraw/zinc/52/49/88/491524988.db2.gz WTXNREPJSSZZIX-CVEARBPZSA-N 2 2 354.495 0.188 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000567774264 491528663 /nfs/dbraw/zinc/52/86/63/491528663.db2.gz DQCWSKMBVDQPOJ-OAHLLOKOSA-N 2 2 365.503 0.436 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000567774264 491528664 /nfs/dbraw/zinc/52/86/64/491528664.db2.gz DQCWSKMBVDQPOJ-OAHLLOKOSA-N 2 2 365.503 0.436 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)[NH+]2CCOCC2)cc1 ZINC000567786798 491529973 /nfs/dbraw/zinc/52/99/73/491529973.db2.gz ICVYYSXOPPXJCT-GOSISDBHSA-N 2 2 372.473 0.739 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000574974434 491530897 /nfs/dbraw/zinc/53/08/97/491530897.db2.gz LEOYZWIGRHGUPI-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000567829440 491532470 /nfs/dbraw/zinc/53/24/70/491532470.db2.gz MNSUEXXRHOYHFG-INIZCTEOSA-N 2 2 359.474 0.626 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC(=O)N1C ZINC000560357489 491533749 /nfs/dbraw/zinc/53/37/49/491533749.db2.gz OUSBYFBRCKNOCI-RZLSGREXSA-N 2 2 368.503 0.885 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000575068906 491537311 /nfs/dbraw/zinc/53/73/11/491537311.db2.gz HBNOYNHCBOZAPE-QGZVFWFLSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000575068906 491537312 /nfs/dbraw/zinc/53/73/12/491537312.db2.gz HBNOYNHCBOZAPE-QGZVFWFLSA-N 2 2 364.490 0.980 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000575108463 491539823 /nfs/dbraw/zinc/53/98/23/491539823.db2.gz LRIVWPOTVZVATF-DLBZAZTESA-N 2 2 365.522 0.747 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3c(F)cccc3F)C2)nn1 ZINC000575122259 491540444 /nfs/dbraw/zinc/54/04/44/491540444.db2.gz DVYYBNKEMBQKIG-NHYWBVRUSA-N 2 2 350.373 0.879 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)O1 ZINC000575174433 491543585 /nfs/dbraw/zinc/54/35/85/491543585.db2.gz FFNSRWDYSRUGBY-KURKYZTESA-N 2 2 355.523 0.691 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]([NH3+])C3CCC3)c2)CC1 ZINC000567966685 491543741 /nfs/dbraw/zinc/54/37/41/491543741.db2.gz ZHEDHNUNIDFODV-MRXNPFEDSA-N 2 2 366.487 0.689 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000560525088 491543998 /nfs/dbraw/zinc/54/39/98/491543998.db2.gz HCHGGEQSSYQDOS-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000560525088 491543999 /nfs/dbraw/zinc/54/39/99/491543999.db2.gz HCHGGEQSSYQDOS-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP COc1ccc(CN2C[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000568086173 491552424 /nfs/dbraw/zinc/55/24/24/491552424.db2.gz HSFBGMWBAPYJPB-JKSUJKDBSA-N 2 2 360.458 0.145 20 0 FCADLP COc1ccc(CN2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)cc1 ZINC000568086173 491552425 /nfs/dbraw/zinc/55/24/25/491552425.db2.gz HSFBGMWBAPYJPB-JKSUJKDBSA-N 2 2 360.458 0.145 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000568198272 491558297 /nfs/dbraw/zinc/55/82/97/491558297.db2.gz YMUGFTASTCHHIS-OAHLLOKOSA-N 2 2 359.536 0.686 20 0 FCADLP C[NH+](C)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000568198272 491558299 /nfs/dbraw/zinc/55/82/99/491558299.db2.gz YMUGFTASTCHHIS-OAHLLOKOSA-N 2 2 359.536 0.686 20 0 FCADLP CCSCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560873355 491560949 /nfs/dbraw/zinc/56/09/49/491560949.db2.gz HHRMOIYPNRFUNB-UHFFFAOYSA-N 2 2 370.563 0.921 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000568267163 491564365 /nfs/dbraw/zinc/56/43/65/491564365.db2.gz BSVVHQHFZFNRPG-QZTJIDSGSA-N 2 2 358.486 0.713 20 0 FCADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000568267163 491564369 /nfs/dbraw/zinc/56/43/69/491564369.db2.gz BSVVHQHFZFNRPG-QZTJIDSGSA-N 2 2 358.486 0.713 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418908 493350963 /nfs/dbraw/zinc/35/09/63/493350963.db2.gz PFNDTWVZWIGPRZ-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418908 493350966 /nfs/dbraw/zinc/35/09/66/493350966.db2.gz PFNDTWVZWIGPRZ-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418908 493350969 /nfs/dbraw/zinc/35/09/69/493350969.db2.gz PFNDTWVZWIGPRZ-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000668418908 493350971 /nfs/dbraw/zinc/35/09/71/493350971.db2.gz PFNDTWVZWIGPRZ-XHSDSOJGSA-N 2 2 368.522 0.591 20 0 FCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000575911226 491569837 /nfs/dbraw/zinc/56/98/37/491569837.db2.gz FRZNCXDVGNLFPO-CQSZACIVSA-N 2 2 352.479 0.892 20 0 FCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000575911226 491569840 /nfs/dbraw/zinc/56/98/40/491569840.db2.gz FRZNCXDVGNLFPO-CQSZACIVSA-N 2 2 352.479 0.892 20 0 FCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)C1 ZINC000575925392 491570910 /nfs/dbraw/zinc/57/09/10/491570910.db2.gz MISXKLPMFLOGNL-XJKSGUPXSA-N 2 2 359.474 0.788 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CCC2 ZINC000568436980 491577212 /nfs/dbraw/zinc/57/72/12/491577212.db2.gz KTGFOUIPJOVDOH-GOEBONIOSA-N 2 2 359.474 0.952 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CCC2 ZINC000568436980 491577214 /nfs/dbraw/zinc/57/72/14/491577214.db2.gz KTGFOUIPJOVDOH-GOEBONIOSA-N 2 2 359.474 0.952 20 0 FCADLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1OC ZINC000561137579 491578162 /nfs/dbraw/zinc/57/81/62/491578162.db2.gz IUCQNRJABMOFAB-CYBMUJFWSA-N 2 2 352.435 0.497 20 0 FCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000576058225 491579455 /nfs/dbraw/zinc/57/94/55/491579455.db2.gz DEAIDZNWVOGOOH-FZMZJTMJSA-N 2 2 351.476 0.792 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000561180976 491581039 /nfs/dbraw/zinc/58/10/39/491581039.db2.gz MDYIBILIOFMYHE-IBGZPJMESA-N 2 2 363.506 0.326 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000568508595 491581123 /nfs/dbraw/zinc/58/11/23/491581123.db2.gz ITXMSHONXKJKSQ-ZMSDIMECSA-N 2 2 362.478 0.403 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673637448 493352354 /nfs/dbraw/zinc/35/23/54/493352354.db2.gz LTAWLNBBYAKIOK-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673637448 493352356 /nfs/dbraw/zinc/35/23/56/493352356.db2.gz LTAWLNBBYAKIOK-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447832 493352830 /nfs/dbraw/zinc/35/28/30/493352830.db2.gz OIIVXUMSPLIJOE-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000660447832 493352832 /nfs/dbraw/zinc/35/28/32/493352832.db2.gz OIIVXUMSPLIJOE-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561252423 491589252 /nfs/dbraw/zinc/58/92/52/491589252.db2.gz GMGQIDLPMBSCLC-LZLYRXPVSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561252423 491589256 /nfs/dbraw/zinc/58/92/56/491589256.db2.gz GMGQIDLPMBSCLC-LZLYRXPVSA-N 2 2 374.485 0.212 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000577099493 491589268 /nfs/dbraw/zinc/58/92/68/491589268.db2.gz BLFBVBZNXYRMMD-CQSZACIVSA-N 2 2 354.410 0.966 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000577094545 491589306 /nfs/dbraw/zinc/58/93/06/491589306.db2.gz NNVMBURPJKDXPP-PMACEKPBSA-N 3 2 372.513 0.931 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000561253294 491589657 /nfs/dbraw/zinc/58/96/57/491589657.db2.gz KDNBWQFRUBZZSE-HXUWFJFHSA-N 2 2 373.501 0.122 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000561266360 491590981 /nfs/dbraw/zinc/59/09/81/491590981.db2.gz UIQWGURKAOSQSK-UHFFFAOYSA-N 2 2 361.508 0.418 20 0 FCADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000568616600 491592281 /nfs/dbraw/zinc/59/22/81/491592281.db2.gz TYIJKAGPXHLIRQ-SFHVURJKSA-N 2 2 367.515 0.985 20 0 FCADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000568616600 491592283 /nfs/dbraw/zinc/59/22/83/491592283.db2.gz TYIJKAGPXHLIRQ-SFHVURJKSA-N 2 2 367.515 0.985 20 0 FCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000584477377 491596017 /nfs/dbraw/zinc/59/60/17/491596017.db2.gz BTSWUUMSZVQCOY-UHFFFAOYSA-N 2 2 371.489 0.802 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280335 491600832 /nfs/dbraw/zinc/60/08/32/491600832.db2.gz KDRGUUMKBFZCTM-HZPDHXFCSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280335 491600836 /nfs/dbraw/zinc/60/08/36/491600836.db2.gz KDRGUUMKBFZCTM-HZPDHXFCSA-N 2 2 366.506 0.191 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473433 493354826 /nfs/dbraw/zinc/35/48/26/493354826.db2.gz HJOOIUBZJJFEDX-MSOLQXFVSA-N 2 2 366.506 0.300 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000660473433 493354830 /nfs/dbraw/zinc/35/48/30/493354830.db2.gz HJOOIUBZJJFEDX-MSOLQXFVSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000568762579 491607844 /nfs/dbraw/zinc/60/78/44/491607844.db2.gz GUOKMZJEIVVSEI-OAHLLOKOSA-N 2 2 357.458 0.656 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000576386720 491610338 /nfs/dbraw/zinc/61/03/38/491610338.db2.gz SXNSQNYZAWHAKC-PBHICJAKSA-N 2 2 353.488 0.795 20 0 FCADLP O=C(CC[NH2+]C1CC1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000568881214 491617131 /nfs/dbraw/zinc/61/71/31/491617131.db2.gz MJVMEZHLEOXROK-UHFFFAOYSA-N 2 2 350.507 0.969 20 0 FCADLP COCCO[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000577415665 491620198 /nfs/dbraw/zinc/62/01/98/491620198.db2.gz DBSABPBOGIFWAK-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000577413064 491620575 /nfs/dbraw/zinc/62/05/75/491620575.db2.gz WRLNWVXBEWVLES-UXLLHSPISA-N 2 2 360.458 0.122 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000577413064 491620577 /nfs/dbraw/zinc/62/05/77/491620577.db2.gz WRLNWVXBEWVLES-UXLLHSPISA-N 2 2 360.458 0.122 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522583 491622137 /nfs/dbraw/zinc/62/21/37/491622137.db2.gz SVEMMTZOFNDIIA-HLIPFELVSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000576522583 491622140 /nfs/dbraw/zinc/62/21/40/491622140.db2.gz SVEMMTZOFNDIIA-HLIPFELVSA-N 2 2 374.485 0.999 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569001483 491626016 /nfs/dbraw/zinc/62/60/16/491626016.db2.gz BDCKVXLOQAETHD-KBPBESRZSA-N 2 2 366.849 0.209 20 0 FCADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569001483 491626017 /nfs/dbraw/zinc/62/60/17/491626017.db2.gz BDCKVXLOQAETHD-KBPBESRZSA-N 2 2 366.849 0.209 20 0 FCADLP Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2=O)cc1 ZINC000576611520 491629314 /nfs/dbraw/zinc/62/93/14/491629314.db2.gz GFTMCARCRIAQCR-DLBZAZTESA-N 2 2 359.474 0.380 20 0 FCADLP Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2=O)cc1 ZINC000576611520 491629315 /nfs/dbraw/zinc/62/93/15/491629315.db2.gz GFTMCARCRIAQCR-DLBZAZTESA-N 2 2 359.474 0.380 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)CCC2 ZINC000576627843 491630999 /nfs/dbraw/zinc/63/09/99/491630999.db2.gz FQUJZMYMYKWLTF-CWRNSKLLSA-N 2 2 357.462 0.939 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C1)CCC2 ZINC000576627844 491631146 /nfs/dbraw/zinc/63/11/46/491631146.db2.gz FQUJZMYMYKWLTF-VNQPRFMTSA-N 2 2 357.462 0.939 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000569094750 491633026 /nfs/dbraw/zinc/63/30/26/491633026.db2.gz RTLCDIPCDGTFEI-HIFRSBDPSA-N 2 2 350.488 0.636 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000577580642 491633933 /nfs/dbraw/zinc/63/39/33/491633933.db2.gz YNZRUNZWIVQYGT-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000577580642 491633937 /nfs/dbraw/zinc/63/39/37/491633937.db2.gz YNZRUNZWIVQYGT-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP C[N@H+]1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000569218664 491642891 /nfs/dbraw/zinc/64/28/91/491642891.db2.gz DAMXDESWGMLWBV-KRWDZBQOSA-N 2 2 374.485 0.405 20 0 FCADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1S(=O)(=O)N(C)C ZINC000577708926 491644406 /nfs/dbraw/zinc/64/44/06/491644406.db2.gz JFXVTJRNQDBAQY-CQSZACIVSA-N 2 2 369.491 0.352 20 0 FCADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1S(=O)(=O)N(C)C ZINC000577708926 491644410 /nfs/dbraw/zinc/64/44/10/491644410.db2.gz JFXVTJRNQDBAQY-CQSZACIVSA-N 2 2 369.491 0.352 20 0 FCADLP COCC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000577713114 491644443 /nfs/dbraw/zinc/64/44/43/491644443.db2.gz DGCLBGUNKKARNA-UHFFFAOYSA-N 2 2 361.490 0.925 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000561998067 491644978 /nfs/dbraw/zinc/64/49/78/491644978.db2.gz BVUUUQUTGKADRK-ZBFHGGJFSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000561998067 491644981 /nfs/dbraw/zinc/64/49/81/491644981.db2.gz BVUUUQUTGKADRK-ZBFHGGJFSA-N 2 2 359.474 0.869 20 0 FCADLP C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000576813246 491647277 /nfs/dbraw/zinc/64/72/77/491647277.db2.gz GNADGLQXBOYKMM-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000576813246 491647278 /nfs/dbraw/zinc/64/72/78/491647278.db2.gz GNADGLQXBOYKMM-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000577762105 491650183 /nfs/dbraw/zinc/65/01/83/491650183.db2.gz BJKDZIYRPFWBIT-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000577762105 491650186 /nfs/dbraw/zinc/65/01/86/491650186.db2.gz BJKDZIYRPFWBIT-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000577762105 491650189 /nfs/dbraw/zinc/65/01/89/491650189.db2.gz BJKDZIYRPFWBIT-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000577762105 491650192 /nfs/dbraw/zinc/65/01/92/491650192.db2.gz BJKDZIYRPFWBIT-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000576864200 491651845 /nfs/dbraw/zinc/65/18/45/491651845.db2.gz QQFQWCJQXAGSHV-DOTOQJQBSA-N 2 2 368.522 0.138 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000576864200 491651849 /nfs/dbraw/zinc/65/18/49/491651849.db2.gz QQFQWCJQXAGSHV-DOTOQJQBSA-N 2 2 368.522 0.138 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000576938720 491657945 /nfs/dbraw/zinc/65/79/45/491657945.db2.gz STROCRRMKLRNTA-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000569441978 491661591 /nfs/dbraw/zinc/66/15/91/491661591.db2.gz HQMGAXCOMZWEJG-UHFFFAOYSA-N 2 2 374.485 0.455 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[C@@]1(C)C[NH3+] ZINC000578052130 491668859 /nfs/dbraw/zinc/66/88/59/491668859.db2.gz OAVIJBIBWJMHBY-QWQRMKEZSA-N 2 2 362.478 0.537 20 0 FCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097303 491669929 /nfs/dbraw/zinc/66/99/29/491669929.db2.gz QZTHJEKESQUKSS-JKSUJKDBSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097303 491669930 /nfs/dbraw/zinc/66/99/30/491669930.db2.gz QZTHJEKESQUKSS-JKSUJKDBSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097300 491669970 /nfs/dbraw/zinc/66/99/70/491669970.db2.gz QZTHJEKESQUKSS-CVEARBPZSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000578097300 491669971 /nfs/dbraw/zinc/66/99/71/491669971.db2.gz QZTHJEKESQUKSS-CVEARBPZSA-N 2 2 368.522 0.401 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000578171278 491671462 /nfs/dbraw/zinc/67/14/62/491671462.db2.gz XEUHOVZQSOYECB-LBPRGKRZSA-N 2 2 353.854 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000578171278 491671463 /nfs/dbraw/zinc/67/14/63/491671463.db2.gz XEUHOVZQSOYECB-LBPRGKRZSA-N 2 2 353.854 0.354 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@@H](C[NH3+])C1 ZINC000578744249 491683354 /nfs/dbraw/zinc/68/33/54/491683354.db2.gz WZXSAMMAVOZADQ-XUWVNRHRSA-N 2 2 364.494 0.665 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@@H](C[NH3+])C1 ZINC000578744249 491683355 /nfs/dbraw/zinc/68/33/55/491683355.db2.gz WZXSAMMAVOZADQ-XUWVNRHRSA-N 2 2 364.494 0.665 20 0 FCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000578753144 491683632 /nfs/dbraw/zinc/68/36/32/491683632.db2.gz JVURUZJTIFUWIP-MJGOQNOKSA-N 2 2 358.486 0.429 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@@H](C)O1 ZINC000578792731 491684519 /nfs/dbraw/zinc/68/45/19/491684519.db2.gz LKQMDUCLFQYEOX-ARFHVFGLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@@H](C)O1 ZINC000578792731 491684520 /nfs/dbraw/zinc/68/45/20/491684520.db2.gz LKQMDUCLFQYEOX-ARFHVFGLSA-N 2 2 368.522 0.543 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000578933556 491687471 /nfs/dbraw/zinc/68/74/71/491687471.db2.gz UOQDDUCEGJZOHF-GOEBONIOSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000578933556 491687472 /nfs/dbraw/zinc/68/74/72/491687472.db2.gz UOQDDUCEGJZOHF-GOEBONIOSA-N 2 2 359.474 0.880 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O ZINC000579026243 491689622 /nfs/dbraw/zinc/68/96/22/491689622.db2.gz UEHNANHHMJPESL-BBWFWOEESA-N 2 2 374.510 0.547 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000579216146 491693282 /nfs/dbraw/zinc/69/32/82/491693282.db2.gz OFDAYLWUOMBDKJ-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000579216146 491693283 /nfs/dbraw/zinc/69/32/83/491693283.db2.gz OFDAYLWUOMBDKJ-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000579320594 491695268 /nfs/dbraw/zinc/69/52/68/491695268.db2.gz DRCWWJXQOBQROE-LSDHHAIUSA-N 2 2 360.462 0.839 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000579701758 491703350 /nfs/dbraw/zinc/70/33/50/491703350.db2.gz HQDZTUJCJKHOHY-NJAFHUGGSA-N 2 2 371.485 0.355 20 0 FCADLP COCCOC1(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000579948225 491710435 /nfs/dbraw/zinc/71/04/35/491710435.db2.gz VTBMHUPBIWFDOV-IXDOHACOSA-N 2 2 360.495 0.258 20 0 FCADLP COCCOC1(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000579948225 491710437 /nfs/dbraw/zinc/71/04/37/491710437.db2.gz VTBMHUPBIWFDOV-IXDOHACOSA-N 2 2 360.495 0.258 20 0 FCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000579948622 491710570 /nfs/dbraw/zinc/71/05/70/491710570.db2.gz POGIHVVPLKKRMG-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1(C)C ZINC000584846089 491717012 /nfs/dbraw/zinc/71/70/12/491717012.db2.gz GGUHEEJRBKDAKY-UHFFFAOYSA-N 2 2 363.510 0.263 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1(C)C ZINC000584846089 491717013 /nfs/dbraw/zinc/71/70/13/491717013.db2.gz GGUHEEJRBKDAKY-UHFFFAOYSA-N 2 2 363.510 0.263 20 0 FCADLP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000580188567 491720822 /nfs/dbraw/zinc/72/08/22/491720822.db2.gz NDRLLLOYDTTWAY-INIZCTEOSA-N 2 2 355.446 0.383 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000580299599 491724821 /nfs/dbraw/zinc/72/48/21/491724821.db2.gz PVXAKSCZSTVSRF-OAHLLOKOSA-N 2 2 367.519 0.548 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000580299599 491724822 /nfs/dbraw/zinc/72/48/22/491724822.db2.gz PVXAKSCZSTVSRF-OAHLLOKOSA-N 2 2 367.519 0.548 20 0 FCADLP Cn1ncc2c1nc(N)[nH+]c2NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000580329321 491726717 /nfs/dbraw/zinc/72/67/17/491726717.db2.gz SWRAVHGEEZQKPB-UHFFFAOYSA-N 2 2 374.493 0.984 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)O1 ZINC000580515560 491734323 /nfs/dbraw/zinc/73/43/23/491734323.db2.gz RNQPOVNZQGHNPE-PMPSAXMXSA-N 2 2 368.503 0.689 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000588097895 491738679 /nfs/dbraw/zinc/73/86/79/491738679.db2.gz QKCZNHAFPSCKAQ-OAHLLOKOSA-N 2 2 356.430 0.989 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000588097895 491738681 /nfs/dbraw/zinc/73/86/81/491738681.db2.gz QKCZNHAFPSCKAQ-OAHLLOKOSA-N 2 2 356.430 0.989 20 0 FCADLP NC(=O)C1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000588773299 491748583 /nfs/dbraw/zinc/74/85/83/491748583.db2.gz DFPCFUATYMNUAN-UHFFFAOYSA-N 2 2 366.506 0.335 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000580970306 491754081 /nfs/dbraw/zinc/75/40/81/491754081.db2.gz YEYPQINLIQNJJY-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000580970306 491754082 /nfs/dbraw/zinc/75/40/82/491754082.db2.gz YEYPQINLIQNJJY-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000580970306 491754084 /nfs/dbraw/zinc/75/40/84/491754084.db2.gz YEYPQINLIQNJJY-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000580970306 491754086 /nfs/dbraw/zinc/75/40/86/491754086.db2.gz YEYPQINLIQNJJY-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000581010322 491755274 /nfs/dbraw/zinc/75/52/74/491755274.db2.gz JDCUYAYPTVPEFX-CYBMUJFWSA-N 2 2 355.446 0.600 20 0 FCADLP C[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000581010322 491755275 /nfs/dbraw/zinc/75/52/75/491755275.db2.gz JDCUYAYPTVPEFX-CYBMUJFWSA-N 2 2 355.446 0.600 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+](CCO)CC3)CC2)CC1 ZINC000581080663 491758915 /nfs/dbraw/zinc/75/89/15/491758915.db2.gz UAGSBAKNSXKSGX-UHFFFAOYSA-N 3 2 352.523 0.319 20 0 FCADLP Cc1cccn2cc(CCNC(=O)NCCC(=O)N3CC[NH+](C)CC3)[nH+]c12 ZINC000673768766 493360658 /nfs/dbraw/zinc/36/06/58/493360658.db2.gz JQQMGRZGWDWVNW-UHFFFAOYSA-N 2 2 372.473 0.649 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)CC2 ZINC000581195705 491763424 /nfs/dbraw/zinc/76/34/24/491763424.db2.gz TWYMIVUBBMCFKY-SJLPKXTDSA-N 2 2 362.474 0.704 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000581199880 491763672 /nfs/dbraw/zinc/76/36/72/491763672.db2.gz KMHPJBNXALBVNX-LJQANCHMSA-N 2 2 374.533 0.915 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000581240996 491765340 /nfs/dbraw/zinc/76/53/40/491765340.db2.gz NVQVXSGIICGFON-IRXDYDNUSA-N 2 2 364.490 0.172 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCOc2ncccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000581299876 491767738 /nfs/dbraw/zinc/76/77/38/491767738.db2.gz OCIKYWBBMLPPKR-LLVKDONJSA-N 2 2 361.368 0.764 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCOc2ncccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000581299876 491767741 /nfs/dbraw/zinc/76/77/41/491767741.db2.gz OCIKYWBBMLPPKR-LLVKDONJSA-N 2 2 361.368 0.764 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000581635598 491780964 /nfs/dbraw/zinc/78/09/64/491780964.db2.gz MIJMIOFPJNDUPS-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000581635598 491780965 /nfs/dbraw/zinc/78/09/65/491780965.db2.gz MIJMIOFPJNDUPS-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000581635598 491780966 /nfs/dbraw/zinc/78/09/66/491780966.db2.gz MIJMIOFPJNDUPS-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000581635598 491780967 /nfs/dbraw/zinc/78/09/67/491780967.db2.gz MIJMIOFPJNDUPS-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1C ZINC000581954805 491792085 /nfs/dbraw/zinc/79/20/85/491792085.db2.gz KKZZCVCWFXFGBR-CABCVRRESA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1C ZINC000581954805 491792086 /nfs/dbraw/zinc/79/20/86/491792086.db2.gz KKZZCVCWFXFGBR-CABCVRRESA-N 2 2 359.430 0.195 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582063037 491796471 /nfs/dbraw/zinc/79/64/71/491796471.db2.gz MITRUSSIENLXFF-FRRDWIJNSA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582063037 491796473 /nfs/dbraw/zinc/79/64/73/491796473.db2.gz MITRUSSIENLXFF-FRRDWIJNSA-N 2 2 352.460 0.202 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000582109329 491798207 /nfs/dbraw/zinc/79/82/07/491798207.db2.gz PXHYXBGYFLMPFI-UHFFFAOYSA-N 2 2 362.540 0.336 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000591218176 491799133 /nfs/dbraw/zinc/79/91/33/491799133.db2.gz CHCORNJEAXBJBW-LZWOXQAQSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000591218176 491799135 /nfs/dbraw/zinc/79/91/35/491799135.db2.gz CHCORNJEAXBJBW-LZWOXQAQSA-N 2 2 352.479 0.748 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)[C@H](C)C[NH2+]1 ZINC000582170974 491801021 /nfs/dbraw/zinc/80/10/21/491801021.db2.gz SWNMUOQKGFUCNI-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000668501723 493365287 /nfs/dbraw/zinc/36/52/87/493365287.db2.gz AXIXINNWWZFWPK-HNNXBMFYSA-N 2 2 366.506 0.062 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CCN2C1=O ZINC000582916111 491832379 /nfs/dbraw/zinc/83/23/79/491832379.db2.gz RPLFXOKJGIMLTE-HUUCEWRRSA-N 2 2 354.414 0.326 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185276 491839695 /nfs/dbraw/zinc/83/96/95/491839695.db2.gz SKRVBUDNPALJQU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185276 491839696 /nfs/dbraw/zinc/83/96/96/491839696.db2.gz SKRVBUDNPALJQU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185276 491839697 /nfs/dbraw/zinc/83/96/97/491839697.db2.gz SKRVBUDNPALJQU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)C1 ZINC000583185276 491839698 /nfs/dbraw/zinc/83/96/98/491839698.db2.gz SKRVBUDNPALJQU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP [NH3+]C1CCC(OCC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000583260677 491841060 /nfs/dbraw/zinc/84/10/60/491841060.db2.gz XXUVIUWQHQHSNS-UHFFFAOYSA-N 2 2 366.506 0.333 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000583320660 491842280 /nfs/dbraw/zinc/84/22/80/491842280.db2.gz HGLLMUDJXLJXIQ-HNNXBMFYSA-N 2 2 373.457 0.093 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000583376305 491843579 /nfs/dbraw/zinc/84/35/79/491843579.db2.gz HNVJNFLRCQKKBE-ZNMIVQPWSA-N 2 2 353.438 0.615 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)c2ccccc2F)C[C@H](C)O1 ZINC000583376305 491843580 /nfs/dbraw/zinc/84/35/80/491843580.db2.gz HNVJNFLRCQKKBE-ZNMIVQPWSA-N 2 2 353.438 0.615 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000583493959 491845974 /nfs/dbraw/zinc/84/59/74/491845974.db2.gz UYBFASJKIFSMBN-OALUTQOASA-N 2 2 370.497 0.707 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCCC1 ZINC000583579654 491847955 /nfs/dbraw/zinc/84/79/55/491847955.db2.gz ZONJTSJIQVINQH-NVXWUHKLSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000583753235 491851219 /nfs/dbraw/zinc/85/12/19/491851219.db2.gz SLXIITHCGDOVCZ-IHRRRGAJSA-N 2 2 363.462 0.165 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000583802036 491852155 /nfs/dbraw/zinc/85/21/55/491852155.db2.gz PBDXGBFWBVOGQN-XIRDDKMYSA-N 2 2 366.485 0.974 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000583802036 491852156 /nfs/dbraw/zinc/85/21/56/491852156.db2.gz PBDXGBFWBVOGQN-XIRDDKMYSA-N 2 2 366.485 0.974 20 0 FCADLP COc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000583807609 491852442 /nfs/dbraw/zinc/85/24/42/491852442.db2.gz SFLOKLFVHZIDMC-INMHGKMJSA-N 2 2 365.474 0.485 20 0 FCADLP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000583997284 491856229 /nfs/dbraw/zinc/85/62/29/491856229.db2.gz BMLCLFOXXRIKJX-QGZVFWFLSA-N 2 2 374.485 0.111 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000584002010 491856325 /nfs/dbraw/zinc/85/63/25/491856325.db2.gz IUOKWEOUCHVYBB-DVOMOZLQSA-N 2 2 350.438 0.931 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000584002010 491856326 /nfs/dbraw/zinc/85/63/26/491856326.db2.gz IUOKWEOUCHVYBB-DVOMOZLQSA-N 2 2 350.438 0.931 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000584047474 491857343 /nfs/dbraw/zinc/85/73/43/491857343.db2.gz FTKHDIUVHMAPGH-JQHSSLGASA-N 2 2 371.485 0.640 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCNC(=O)c3ccn[nH]3)c2cc1C ZINC000584168547 491859897 /nfs/dbraw/zinc/85/98/97/491859897.db2.gz OJPYPSCFKXIVCI-CQSZACIVSA-N 2 2 356.430 0.757 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000584172843 491860046 /nfs/dbraw/zinc/86/00/46/491860046.db2.gz HVNAACVKJOJBAT-GJZGRUSLSA-N 2 2 362.474 0.581 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000584285738 491862195 /nfs/dbraw/zinc/86/21/95/491862195.db2.gz JAVLHDZAHGYWNS-XAJHFOFHSA-N 2 2 359.474 0.878 20 0 FCADLP COc1cc(OC)cc(OCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000584340855 491863248 /nfs/dbraw/zinc/86/32/48/491863248.db2.gz RBVCVGIDJZJFMS-ZDUSSCGKSA-N 2 2 352.435 0.367 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000611671920 491866491 /nfs/dbraw/zinc/86/64/91/491866491.db2.gz HDCFPMWLNXCGDB-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000611671920 491866493 /nfs/dbraw/zinc/86/64/93/491866493.db2.gz HDCFPMWLNXCGDB-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000611671920 491866495 /nfs/dbraw/zinc/86/64/95/491866495.db2.gz HDCFPMWLNXCGDB-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000611671920 491866498 /nfs/dbraw/zinc/86/64/98/491866498.db2.gz HDCFPMWLNXCGDB-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000611671921 491866606 /nfs/dbraw/zinc/86/66/06/491866606.db2.gz HDCFPMWLNXCGDB-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000611671921 491866608 /nfs/dbraw/zinc/86/66/08/491866608.db2.gz HDCFPMWLNXCGDB-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000611671921 491866610 /nfs/dbraw/zinc/86/66/10/491866610.db2.gz HDCFPMWLNXCGDB-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611671921 491866612 /nfs/dbraw/zinc/86/66/12/491866612.db2.gz HDCFPMWLNXCGDB-SZMVWBNQSA-N 2 2 374.485 0.212 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875903 491869396 /nfs/dbraw/zinc/86/93/96/491869396.db2.gz NYZIFAXRJNROOM-OFQRWUPVSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875903 491869397 /nfs/dbraw/zinc/86/93/97/491869397.db2.gz NYZIFAXRJNROOM-OFQRWUPVSA-N 2 2 360.458 0.458 20 0 FCADLP c1cc2n(n1)C[C@H](C[NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CN2 ZINC000595143156 491889333 /nfs/dbraw/zinc/88/93/33/491889333.db2.gz SWSUROOEYXVDGV-MRXNPFEDSA-N 2 2 356.478 0.517 20 0 FCADLP C[NH+]1CCN(CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000600992438 491891890 /nfs/dbraw/zinc/89/18/90/491891890.db2.gz RJTLCKBJGMNNRA-LJQANCHMSA-N 2 2 359.518 0.339 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000601045991 491895429 /nfs/dbraw/zinc/89/54/29/491895429.db2.gz ZUOAGKUJKYJACN-UHFFFAOYSA-N 2 2 374.485 0.413 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000612057738 491896173 /nfs/dbraw/zinc/89/61/73/491896173.db2.gz QJFGHUPJVFUTJN-GDBMZVCRSA-N 2 2 368.503 0.413 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)CCN2C1=O ZINC000595265751 491909110 /nfs/dbraw/zinc/90/91/10/491909110.db2.gz CKUHFPYFWGPRKD-CVEARBPZSA-N 2 2 372.473 0.525 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)[nH+]c12 ZINC000595269628 491909849 /nfs/dbraw/zinc/90/98/49/491909849.db2.gz VSDHKMHVYMCGON-HUUCEWRRSA-N 2 2 356.430 0.139 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3coc(S(N)(=O)=O)c3)C2)CC1 ZINC000595337823 491921950 /nfs/dbraw/zinc/92/19/50/491921950.db2.gz LMPXSDFFLLTUKP-OAHLLOKOSA-N 2 2 356.492 0.527 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3coc(S(N)(=O)=O)c3)C2)CC1 ZINC000595337823 491921952 /nfs/dbraw/zinc/92/19/52/491921952.db2.gz LMPXSDFFLLTUKP-OAHLLOKOSA-N 2 2 356.492 0.527 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543558 491931545 /nfs/dbraw/zinc/93/15/45/491931545.db2.gz QSGAQJBKKBYQRS-OALUTQOASA-N 2 2 372.513 0.972 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543558 491931548 /nfs/dbraw/zinc/93/15/48/491931548.db2.gz QSGAQJBKKBYQRS-OALUTQOASA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543558 491931551 /nfs/dbraw/zinc/93/15/51/491931551.db2.gz QSGAQJBKKBYQRS-OALUTQOASA-N 2 2 372.513 0.972 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000612543558 491931554 /nfs/dbraw/zinc/93/15/54/491931554.db2.gz QSGAQJBKKBYQRS-OALUTQOASA-N 2 2 372.513 0.972 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000595464942 491933414 /nfs/dbraw/zinc/93/34/14/491933414.db2.gz JXBZDCGNDRCWNV-CQSZACIVSA-N 2 2 353.467 0.862 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000595464942 491933416 /nfs/dbraw/zinc/93/34/16/491933416.db2.gz JXBZDCGNDRCWNV-CQSZACIVSA-N 2 2 353.467 0.862 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000612549466 491933536 /nfs/dbraw/zinc/93/35/36/491933536.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000612549466 491933538 /nfs/dbraw/zinc/93/35/38/491933538.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000612549466 491933539 /nfs/dbraw/zinc/93/35/39/491933539.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 3 2 367.538 0.071 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000612549466 491933541 /nfs/dbraw/zinc/93/35/41/491933541.db2.gz ZFXKCHNZQRALRU-INIZCTEOSA-N 3 2 367.538 0.071 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758018 491949318 /nfs/dbraw/zinc/94/93/18/491949318.db2.gz CXIVFJOXORGMDS-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758018 491949320 /nfs/dbraw/zinc/94/93/20/491949320.db2.gz CXIVFJOXORGMDS-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758018 491949323 /nfs/dbraw/zinc/94/93/23/491949323.db2.gz CXIVFJOXORGMDS-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758018 491949326 /nfs/dbraw/zinc/94/93/26/491949326.db2.gz CXIVFJOXORGMDS-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777871 491950128 /nfs/dbraw/zinc/95/01/28/491950128.db2.gz QPGAHAZAPWAMBV-UHFFFAOYSA-N 2 2 361.490 0.970 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612778263 491950335 /nfs/dbraw/zinc/95/03/35/491950335.db2.gz YTPSSZAQPPSYTL-KRWDZBQOSA-N 2 2 373.501 0.974 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612875269 491956675 /nfs/dbraw/zinc/95/66/75/491956675.db2.gz JZSVHICZDNDIAL-AWEZNQCLSA-N 2 2 372.477 0.642 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC000602148668 491963257 /nfs/dbraw/zinc/96/32/57/491963257.db2.gz NLPOLZPFRDCURC-UHFFFAOYSA-N 2 2 365.478 0.256 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199290 491967493 /nfs/dbraw/zinc/96/74/93/491967493.db2.gz HPPZWYGVCRCXIP-DYVFJYSZSA-N 2 2 352.504 0.337 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199290 491967494 /nfs/dbraw/zinc/96/74/94/491967494.db2.gz HPPZWYGVCRCXIP-DYVFJYSZSA-N 2 2 352.504 0.337 20 0 FCADLP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595977509 491967767 /nfs/dbraw/zinc/96/77/67/491967767.db2.gz LMMCVCQHBAVWAJ-WBVHZDCISA-N 3 2 374.533 0.960 20 0 FCADLP CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595977509 491967769 /nfs/dbraw/zinc/96/77/69/491967769.db2.gz LMMCVCQHBAVWAJ-WBVHZDCISA-N 3 2 374.533 0.960 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204449 491968086 /nfs/dbraw/zinc/96/80/86/491968086.db2.gz IHACTVNQQBBCJK-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204449 491968088 /nfs/dbraw/zinc/96/80/88/491968088.db2.gz IHACTVNQQBBCJK-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP COC(=O)c1cnc([C@@H]2CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2)s1 ZINC000595995589 491970767 /nfs/dbraw/zinc/97/07/67/491970767.db2.gz PINPPNXVUYOFQC-VXGBXAGGSA-N 2 2 354.476 0.915 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C[C@@H]1C ZINC000602503251 491989848 /nfs/dbraw/zinc/98/98/48/491989848.db2.gz PDJQRPQAOOLGQQ-YOEHRIQHSA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C[C@@H]1C ZINC000602503251 491989851 /nfs/dbraw/zinc/98/98/51/491989851.db2.gz PDJQRPQAOOLGQQ-YOEHRIQHSA-N 2 2 363.458 0.661 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000596604821 491992341 /nfs/dbraw/zinc/99/23/41/491992341.db2.gz ZYFLKFPVHCFIMO-KRWDZBQOSA-N 2 2 372.513 0.902 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000596604821 491992343 /nfs/dbraw/zinc/99/23/43/491992343.db2.gz ZYFLKFPVHCFIMO-KRWDZBQOSA-N 2 2 372.513 0.902 20 0 FCADLP COC(=O)c1cnn(C)c1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000603026170 492012423 /nfs/dbraw/zinc/01/24/23/492012423.db2.gz FFLVUGPIYKXCKA-UHFFFAOYSA-N 2 2 352.439 0.354 20 0 FCADLP COC(=O)c1oc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000597076494 492014846 /nfs/dbraw/zinc/01/48/46/492014846.db2.gz GLOFZOFOTWJTFC-CQSZACIVSA-N 2 2 365.430 0.397 20 0 FCADLP COC(=O)[C@H]([NH3+])Cc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000603253939 492021279 /nfs/dbraw/zinc/02/12/79/492021279.db2.gz GTELFCCJIKFRFK-QGZVFWFLSA-N 2 2 359.430 0.201 20 0 FCADLP CC(C)(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000603814767 492042745 /nfs/dbraw/zinc/04/27/45/492042745.db2.gz CDPGXFCHJBFSFN-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC(C)(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000603814767 492042747 /nfs/dbraw/zinc/04/27/47/492042747.db2.gz CDPGXFCHJBFSFN-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000603815100 492042760 /nfs/dbraw/zinc/04/27/60/492042760.db2.gz PDFWQARLCBYPON-TZIWHRDSSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000603815100 492042762 /nfs/dbraw/zinc/04/27/62/492042762.db2.gz PDFWQARLCBYPON-TZIWHRDSSA-N 2 2 373.497 0.947 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163645 492052302 /nfs/dbraw/zinc/05/23/02/492052302.db2.gz NOCQCZARHSABOA-DOTOQJQBSA-N 2 2 359.474 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163645 492052305 /nfs/dbraw/zinc/05/23/05/492052305.db2.gz NOCQCZARHSABOA-DOTOQJQBSA-N 2 2 359.474 0.681 20 0 FCADLP CN(C(=O)CCC1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000604328453 492056883 /nfs/dbraw/zinc/05/68/83/492056883.db2.gz UBYDMMSXXZWXIY-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)C1 ZINC000604651139 492065716 /nfs/dbraw/zinc/06/57/16/492065716.db2.gz IUGKXJQGGLLABP-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)C1 ZINC000604651139 492065718 /nfs/dbraw/zinc/06/57/18/492065718.db2.gz IUGKXJQGGLLABP-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)C1 ZINC000604651139 492065719 /nfs/dbraw/zinc/06/57/19/492065719.db2.gz IUGKXJQGGLLABP-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)C1 ZINC000604651139 492065721 /nfs/dbraw/zinc/06/57/21/492065721.db2.gz IUGKXJQGGLLABP-QGZVFWFLSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605971354 492109911 /nfs/dbraw/zinc/10/99/11/492109911.db2.gz ZSIIACOUAQKGPL-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605971354 492109912 /nfs/dbraw/zinc/10/99/12/492109912.db2.gz ZSIIACOUAQKGPL-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000606705154 492127789 /nfs/dbraw/zinc/12/77/89/492127789.db2.gz DAQOWHLYGYKRMX-INIZCTEOSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000606705154 492127790 /nfs/dbraw/zinc/12/77/90/492127790.db2.gz DAQOWHLYGYKRMX-INIZCTEOSA-N 2 2 365.522 0.666 20 0 FCADLP C[NH+]1CCN(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000599310025 492158739 /nfs/dbraw/zinc/15/87/39/492158739.db2.gz DAKWXYZBXQKYOY-UHFFFAOYSA-N 2 2 359.518 0.168 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352502 492164462 /nfs/dbraw/zinc/16/44/62/492164462.db2.gz XWIGSSAMHOWAOG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617352502 492164465 /nfs/dbraw/zinc/16/44/65/492164465.db2.gz XWIGSSAMHOWAOG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP COC(=O)c1cnn(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000599446085 492174016 /nfs/dbraw/zinc/17/40/16/492174016.db2.gz ZLNALHJVYMMPOM-MRXNPFEDSA-N 2 2 363.462 0.297 20 0 FCADLP COC(=O)c1cnn(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000599446085 492174017 /nfs/dbraw/zinc/17/40/17/492174017.db2.gz ZLNALHJVYMMPOM-MRXNPFEDSA-N 2 2 363.462 0.297 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[N@@H+]1C ZINC000608649453 492184027 /nfs/dbraw/zinc/18/40/27/492184027.db2.gz BJCHTNOPAMSAGL-INMHGKMJSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[N@H+]1C ZINC000608649453 492184030 /nfs/dbraw/zinc/18/40/30/492184030.db2.gz BJCHTNOPAMSAGL-INMHGKMJSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)[C@H](C)CO1 ZINC000617728746 492185205 /nfs/dbraw/zinc/18/52/05/492185205.db2.gz XRMNHKFJMXERBW-HUUCEWRRSA-N 2 2 350.463 0.861 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)[C@H](C)CO1 ZINC000617728746 492185206 /nfs/dbraw/zinc/18/52/06/492185206.db2.gz XRMNHKFJMXERBW-HUUCEWRRSA-N 2 2 350.463 0.861 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@@H](O)[C@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000608718850 492189294 /nfs/dbraw/zinc/18/92/94/492189294.db2.gz UFPPHQUDVYNQAP-DLBZAZTESA-N 2 2 368.522 0.633 20 0 FCADLP CC[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000618308197 492221839 /nfs/dbraw/zinc/22/18/39/492221839.db2.gz AWYAELQDIADMCE-CVEARBPZSA-N 2 2 356.511 0.354 20 0 FCADLP CC[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000618308197 492221840 /nfs/dbraw/zinc/22/18/40/492221840.db2.gz AWYAELQDIADMCE-CVEARBPZSA-N 2 2 356.511 0.354 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000619016997 492247214 /nfs/dbraw/zinc/24/72/14/492247214.db2.gz ADCYSBKZCXCNTJ-UHFFFAOYSA-N 2 2 373.501 0.933 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995533 492273949 /nfs/dbraw/zinc/27/39/49/492273949.db2.gz WIGAFAIMFUCMKH-PMPSAXMXSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC000610995533 492273951 /nfs/dbraw/zinc/27/39/51/492273951.db2.gz WIGAFAIMFUCMKH-PMPSAXMXSA-N 2 2 352.479 0.938 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225296 492282184 /nfs/dbraw/zinc/28/21/84/492282184.db2.gz WHIJXPKMFJBXPC-ZWKOTPCHSA-N 2 2 350.507 0.336 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225296 492282186 /nfs/dbraw/zinc/28/21/86/492282186.db2.gz WHIJXPKMFJBXPC-ZWKOTPCHSA-N 2 2 350.507 0.336 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3CC[NH+](C)CC3)CC2)CC1 ZINC000654422032 492301123 /nfs/dbraw/zinc/30/11/23/492301123.db2.gz LDVORNPTBPIXSY-UHFFFAOYSA-N 3 2 365.566 0.546 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641761479 492302436 /nfs/dbraw/zinc/30/24/36/492302436.db2.gz SQYVAJAWOKXKTK-IAGOWNOFSA-N 2 2 364.494 0.367 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641761479 492302439 /nfs/dbraw/zinc/30/24/39/492302439.db2.gz SQYVAJAWOKXKTK-IAGOWNOFSA-N 2 2 364.494 0.367 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641761481 492303065 /nfs/dbraw/zinc/30/30/65/492303065.db2.gz SQYVAJAWOKXKTK-SJORKVTESA-N 2 2 364.494 0.367 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641761481 492303068 /nfs/dbraw/zinc/30/30/68/492303068.db2.gz SQYVAJAWOKXKTK-SJORKVTESA-N 2 2 364.494 0.367 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627474855 492312256 /nfs/dbraw/zinc/31/22/56/492312256.db2.gz ZBHLYHOQCDODGL-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627474855 492312260 /nfs/dbraw/zinc/31/22/60/492312260.db2.gz ZBHLYHOQCDODGL-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620479152 492312351 /nfs/dbraw/zinc/31/23/51/492312351.db2.gz OTBXQXZGWMSXRT-MSOLQXFVSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620479152 492312354 /nfs/dbraw/zinc/31/23/54/492312354.db2.gz OTBXQXZGWMSXRT-MSOLQXFVSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620479152 492312359 /nfs/dbraw/zinc/31/23/59/492312359.db2.gz OTBXQXZGWMSXRT-MSOLQXFVSA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000620479152 492312360 /nfs/dbraw/zinc/31/23/60/492312360.db2.gz OTBXQXZGWMSXRT-MSOLQXFVSA-N 2 2 351.491 0.687 20 0 FCADLP CC(=O)N1CCC[C@@](O)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634193045 492324848 /nfs/dbraw/zinc/32/48/48/492324848.db2.gz CVZCHBMDLVBQBV-SFHVURJKSA-N 2 2 361.446 0.145 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(S(C)(=O)=O)CCC3)c2)CC1 ZINC000634194099 492324929 /nfs/dbraw/zinc/32/49/29/492324929.db2.gz POXAPJLZLORJJG-UHFFFAOYSA-N 2 2 352.460 0.739 20 0 FCADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H](C)S(C)(=O)=O ZINC000634194722 492325010 /nfs/dbraw/zinc/32/50/10/492325010.db2.gz WZJZGFGPKSVVAE-STQMWFEESA-N 2 2 354.476 0.841 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@](C)(O)Cn3ccccc3=O)c2)CC1 ZINC000634194704 492325304 /nfs/dbraw/zinc/32/53/04/492325304.db2.gz WTLLFFOTGMICNM-IBGZPJMESA-N 2 2 371.441 0.385 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)[C@@H]1C ZINC000620747172 492332589 /nfs/dbraw/zinc/33/25/89/492332589.db2.gz NKQIPHBOSFAODE-KBPBESRZSA-N 2 2 358.446 0.844 20 0 FCADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)N1CC[NH+](C)CC1 ZINC000634302428 492336221 /nfs/dbraw/zinc/33/62/21/492336221.db2.gz DKKVTBROLURPAE-OAHLLOKOSA-N 2 2 363.531 0.887 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634303433 492336334 /nfs/dbraw/zinc/33/63/34/492336334.db2.gz TUIHCVJCVBFBJQ-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634303433 492336338 /nfs/dbraw/zinc/33/63/38/492336338.db2.gz TUIHCVJCVBFBJQ-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654728809 492343449 /nfs/dbraw/zinc/34/34/49/492343449.db2.gz BGNCNSZXZIEHDV-GJZGRUSLSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654728809 492343453 /nfs/dbraw/zinc/34/34/53/492343453.db2.gz BGNCNSZXZIEHDV-GJZGRUSLSA-N 2 2 351.495 0.594 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642293998 492348628 /nfs/dbraw/zinc/34/86/28/492348628.db2.gz NPKIYVAARIWJDE-BLLLJJGKSA-N 2 2 359.430 0.036 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000642327584 492351130 /nfs/dbraw/zinc/35/11/30/492351130.db2.gz NVNDQZMKZCAKSY-GOSISDBHSA-N 2 2 352.438 0.935 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642329985 492351466 /nfs/dbraw/zinc/35/14/66/492351466.db2.gz AKKDKZDVMDVPJF-CQSZACIVSA-N 2 2 359.405 0.886 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000642337483 492352590 /nfs/dbraw/zinc/35/25/90/492352590.db2.gz NSYABMIZMCMTDZ-XHSDSOJGSA-N 2 2 352.479 0.004 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000642337448 492352778 /nfs/dbraw/zinc/35/27/78/492352778.db2.gz GOUCGGZQTKMOBF-HUUCEWRRSA-N 2 2 352.479 0.086 20 0 FCADLP CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000627619432 492352961 /nfs/dbraw/zinc/35/29/61/492352961.db2.gz GYCHWIUTNPBRSL-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634701277 492360211 /nfs/dbraw/zinc/36/02/11/492360211.db2.gz MZIOHDXNZXUHKO-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634701277 492360214 /nfs/dbraw/zinc/36/02/14/492360214.db2.gz MZIOHDXNZXUHKO-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634701280 492360372 /nfs/dbraw/zinc/36/03/72/492360372.db2.gz MZIOHDXNZXUHKO-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634701280 492360375 /nfs/dbraw/zinc/36/03/75/492360375.db2.gz MZIOHDXNZXUHKO-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708247 492361916 /nfs/dbraw/zinc/36/19/16/492361916.db2.gz RQHJDGMLNOPCLV-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708247 492361918 /nfs/dbraw/zinc/36/19/18/492361918.db2.gz RQHJDGMLNOPCLV-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257874 492364864 /nfs/dbraw/zinc/36/48/64/492364864.db2.gz OVCDATYBVPXBGH-KGLIPLIRSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257874 492364866 /nfs/dbraw/zinc/36/48/66/492364866.db2.gz OVCDATYBVPXBGH-KGLIPLIRSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257874 492364868 /nfs/dbraw/zinc/36/48/68/492364868.db2.gz OVCDATYBVPXBGH-KGLIPLIRSA-N 2 2 359.478 0.917 20 0 FCADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC000621257874 492364871 /nfs/dbraw/zinc/36/48/71/492364871.db2.gz OVCDATYBVPXBGH-KGLIPLIRSA-N 2 2 359.478 0.917 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)S(C)(=O)=O ZINC000647815081 492365323 /nfs/dbraw/zinc/36/53/23/492365323.db2.gz ODWFBXZGOAOSJY-UHFFFAOYSA-N 2 2 374.551 0.379 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)S(C)(=O)=O ZINC000647815081 492365325 /nfs/dbraw/zinc/36/53/25/492365325.db2.gz ODWFBXZGOAOSJY-UHFFFAOYSA-N 2 2 374.551 0.379 20 0 FCADLP Nc1nn2c(nc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2=O)[nH]1 ZINC000621254698 492365498 /nfs/dbraw/zinc/36/54/98/492365498.db2.gz GKTYEFHYXBQZAA-AWEZNQCLSA-N 2 2 359.478 0.918 20 0 FCADLP Nc1nn2c(nc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2=O)[nH]1 ZINC000621254698 492365501 /nfs/dbraw/zinc/36/55/01/492365501.db2.gz GKTYEFHYXBQZAA-AWEZNQCLSA-N 2 2 359.478 0.918 20 0 FCADLP CNS(=O)(=O)CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000621267007 492367752 /nfs/dbraw/zinc/36/77/52/492367752.db2.gz JDPDBEHJNJJSKD-UHFFFAOYSA-N 2 2 370.519 0.298 20 0 FCADLP CCn1c2nnc(C[N@H+](C)CCN3CC[NH2+]CC3)n2c2ccccc2c1=O ZINC000647835379 492368500 /nfs/dbraw/zinc/36/85/00/492368500.db2.gz WEOIFEGKKVSSTL-UHFFFAOYSA-N 2 2 369.473 0.401 20 0 FCADLP CCn1c2nnc(C[N@@H+](C)CCN3CC[NH2+]CC3)n2c2ccccc2c1=O ZINC000647835379 492368503 /nfs/dbraw/zinc/36/85/03/492368503.db2.gz WEOIFEGKKVSSTL-UHFFFAOYSA-N 2 2 369.473 0.401 20 0 FCADLP COc1ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc1S(=O)(=O)N(C)C ZINC000647849492 492371352 /nfs/dbraw/zinc/37/13/52/492371352.db2.gz VOJDXBFINXYMKQ-UHFFFAOYSA-N 2 2 358.464 0.165 20 0 FCADLP COc1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc1S(=O)(=O)N(C)C ZINC000647849492 492371353 /nfs/dbraw/zinc/37/13/53/492371353.db2.gz VOJDXBFINXYMKQ-UHFFFAOYSA-N 2 2 358.464 0.165 20 0 FCADLP CNS(=O)(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000621294472 492371652 /nfs/dbraw/zinc/37/16/52/492371652.db2.gz BZZBCBDAKWCZBF-SFHVURJKSA-N 2 2 366.531 0.428 20 0 FCADLP CNS(=O)(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000621294472 492371655 /nfs/dbraw/zinc/37/16/55/492371655.db2.gz BZZBCBDAKWCZBF-SFHVURJKSA-N 2 2 366.531 0.428 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642705175 492375775 /nfs/dbraw/zinc/37/57/75/492375775.db2.gz COFPSOBPIOSFMT-DLBZAZTESA-N 2 2 371.485 0.899 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000654995194 492389630 /nfs/dbraw/zinc/38/96/30/492389630.db2.gz ZHXYLPRBPOSNOP-IYBDPMFKSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000654995194 492389632 /nfs/dbraw/zinc/38/96/32/492389632.db2.gz ZHXYLPRBPOSNOP-IYBDPMFKSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788789 492391501 /nfs/dbraw/zinc/39/15/01/492391501.db2.gz CQRWVVXZPTWTOU-RCBQFDQVSA-N 2 2 360.458 0.519 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788789 492391502 /nfs/dbraw/zinc/39/15/02/492391502.db2.gz CQRWVVXZPTWTOU-RCBQFDQVSA-N 2 2 360.458 0.519 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788788 492391681 /nfs/dbraw/zinc/39/16/81/492391681.db2.gz CQRWVVXZPTWTOU-MAZHCROVSA-N 2 2 360.458 0.519 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788788 492391686 /nfs/dbraw/zinc/39/16/86/492391686.db2.gz CQRWVVXZPTWTOU-MAZHCROVSA-N 2 2 360.458 0.519 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000642909484 492401537 /nfs/dbraw/zinc/40/15/37/492401537.db2.gz NZQAXZZPJMUICQ-GJZGRUSLSA-N 2 2 362.474 0.581 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000642909484 492401541 /nfs/dbraw/zinc/40/15/41/492401541.db2.gz NZQAXZZPJMUICQ-GJZGRUSLSA-N 2 2 362.474 0.581 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000642910246 492402090 /nfs/dbraw/zinc/40/20/90/492402090.db2.gz BROIFVOSVZIQMQ-BHYGNILZSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000642910246 492402094 /nfs/dbraw/zinc/40/20/94/492402094.db2.gz BROIFVOSVZIQMQ-BHYGNILZSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000642910249 492402252 /nfs/dbraw/zinc/40/22/52/492402252.db2.gz BROIFVOSVZIQMQ-XIRDDKMYSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000642910249 492402254 /nfs/dbraw/zinc/40/22/54/492402254.db2.gz BROIFVOSVZIQMQ-XIRDDKMYSA-N 3 2 367.538 0.245 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000642914466 492402969 /nfs/dbraw/zinc/40/29/69/492402969.db2.gz QOYULKFFRBSLNA-KRWDZBQOSA-N 2 2 374.485 0.516 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000642920669 492405094 /nfs/dbraw/zinc/40/50/94/492405094.db2.gz CHISMOWSTNHOQD-UHFFFAOYSA-N 2 2 352.504 0.897 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000642939805 492405380 /nfs/dbraw/zinc/40/53/80/492405380.db2.gz ABYZOVAKDHBIOH-HNNXBMFYSA-N 2 2 362.474 0.359 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000635166089 492407784 /nfs/dbraw/zinc/40/77/84/492407784.db2.gz YEJFIXWDFRBGOK-UHFFFAOYSA-N 2 2 362.474 0.893 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981931 492410269 /nfs/dbraw/zinc/41/02/69/492410269.db2.gz LNBXITQQEDWINX-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981931 492410272 /nfs/dbraw/zinc/41/02/72/492410272.db2.gz LNBXITQQEDWINX-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642982655 492410975 /nfs/dbraw/zinc/41/09/75/492410975.db2.gz ZLKNSGLSJWWTRN-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000642982655 492410978 /nfs/dbraw/zinc/41/09/78/492410978.db2.gz ZLKNSGLSJWWTRN-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000621838667 492421360 /nfs/dbraw/zinc/42/13/60/492421360.db2.gz HLASFMWNXJFTKE-KUHUBIRLSA-N 2 2 371.416 0.967 20 0 FCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(N3CCCC3)[nH+]c1)C2 ZINC000621841397 492423948 /nfs/dbraw/zinc/42/39/48/492423948.db2.gz VBJASYYLZJSLPC-HNAYVOBHSA-N 2 2 357.458 0.638 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000635359817 492439077 /nfs/dbraw/zinc/43/90/77/492439077.db2.gz QEHYHABZKZERPI-UHFFFAOYSA-N 2 2 357.462 0.735 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622025897 492441821 /nfs/dbraw/zinc/44/18/21/492441821.db2.gz YTHYJCGJGUMZQG-RXVVDRJESA-N 2 2 370.497 0.979 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379215 492444113 /nfs/dbraw/zinc/44/41/13/492444113.db2.gz NFWXASFFIHUINF-ZBFHGGJFSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)CC1 ZINC000643379215 492444116 /nfs/dbraw/zinc/44/41/16/492444116.db2.gz NFWXASFFIHUINF-ZBFHGGJFSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3Cc4cccc(F)c4C3)C2)CC1 ZINC000643397598 492447667 /nfs/dbraw/zinc/44/76/67/492447667.db2.gz CTOWXCOCDXEAAT-HNNXBMFYSA-N 2 2 374.460 0.953 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3Cc4cccc(F)c4C3)C2)CC1 ZINC000643397598 492447669 /nfs/dbraw/zinc/44/76/69/492447669.db2.gz CTOWXCOCDXEAAT-HNNXBMFYSA-N 2 2 374.460 0.953 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000648757424 492451646 /nfs/dbraw/zinc/45/16/46/492451646.db2.gz RISSVLLAXVIULF-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000648757424 492451650 /nfs/dbraw/zinc/45/16/50/492451650.db2.gz RISSVLLAXVIULF-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP O=C(c1ccc(C[NH+]2CCOCC2)cn1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628122755 492471906 /nfs/dbraw/zinc/47/19/06/492471906.db2.gz LOZUVWYJLBJGLT-UHFFFAOYSA-N 2 2 374.485 0.851 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000643476746 492473133 /nfs/dbraw/zinc/47/31/33/492473133.db2.gz PAFHAWAXPIIEAA-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2[nH+]1 ZINC000635573466 492474919 /nfs/dbraw/zinc/47/49/19/492474919.db2.gz VVPQCIGMZLQGQQ-KRWDZBQOSA-N 2 2 357.458 0.779 20 0 FCADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)cc2[nH+]1 ZINC000635573466 492474921 /nfs/dbraw/zinc/47/49/21/492474921.db2.gz VVPQCIGMZLQGQQ-KRWDZBQOSA-N 2 2 357.458 0.779 20 0 FCADLP CCCNC(=O)CN1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655689196 492476093 /nfs/dbraw/zinc/47/60/93/492476093.db2.gz YLAUEISQMCUJSR-SFHVURJKSA-N 2 2 352.523 0.820 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643514606 492487026 /nfs/dbraw/zinc/48/70/26/492487026.db2.gz ZYDDMIWZLSOPKM-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643514606 492487030 /nfs/dbraw/zinc/48/70/30/492487030.db2.gz ZYDDMIWZLSOPKM-NZSAHSFTSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643515256 492487229 /nfs/dbraw/zinc/48/72/29/492487229.db2.gz VKJSNMHZGQTHQD-NUJGCVRESA-N 2 2 374.485 0.294 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000643515256 492487232 /nfs/dbraw/zinc/48/72/32/492487232.db2.gz VKJSNMHZGQTHQD-NUJGCVRESA-N 2 2 374.485 0.294 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000643516437 492487561 /nfs/dbraw/zinc/48/75/61/492487561.db2.gz CPZZQFWKRMILGP-OXJNMPFZSA-N 2 2 371.485 0.499 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643516445 492487682 /nfs/dbraw/zinc/48/76/82/492487682.db2.gz CZHXNRULYKWDAE-NUJGCVRESA-N 2 2 371.485 0.497 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC[C@H]1[NH3+] ZINC000643524413 492489866 /nfs/dbraw/zinc/48/98/66/492489866.db2.gz WWVBSZWPXYZQRM-JKSUJKDBSA-N 2 2 354.495 0.141 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000635684936 492491491 /nfs/dbraw/zinc/49/14/91/492491491.db2.gz ADQMIYDBUUSGLG-INIZCTEOSA-N 2 2 350.463 0.956 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643562998 492498718 /nfs/dbraw/zinc/49/87/18/492498718.db2.gz HNODVSLTGUKJQW-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643562998 492498721 /nfs/dbraw/zinc/49/87/21/492498721.db2.gz HNODVSLTGUKJQW-QRQLOZEOSA-N 2 2 370.497 0.787 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649209868 492510655 /nfs/dbraw/zinc/51/06/55/492510655.db2.gz ZGIMPERKSUDRTG-HNNXBMFYSA-N 2 2 355.446 0.174 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1CC)C(=O)NCC[NH+]1CCOCC1 ZINC000649301037 492526134 /nfs/dbraw/zinc/52/61/34/492526134.db2.gz CCUBYYKCZYVZPI-YVSFHVDLSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)c1ccc(C[NH3+])o1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301074 492526905 /nfs/dbraw/zinc/52/69/05/492526905.db2.gz DRRVDJMJBWWPKV-XJKSGUPXSA-N 2 2 366.462 0.331 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1 ZINC000635959035 492533898 /nfs/dbraw/zinc/53/38/98/492533898.db2.gz AWYPNRVOAAXHEU-HXUWFJFHSA-N 2 2 372.513 0.975 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1 ZINC000635959035 492533902 /nfs/dbraw/zinc/53/39/02/492533902.db2.gz AWYPNRVOAAXHEU-HXUWFJFHSA-N 2 2 372.513 0.975 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1 ZINC000635959035 492533910 /nfs/dbraw/zinc/53/39/10/492533910.db2.gz AWYPNRVOAAXHEU-HXUWFJFHSA-N 2 2 372.513 0.975 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000649335607 492537537 /nfs/dbraw/zinc/53/75/37/492537537.db2.gz NIOZSRHEQUJHCF-RTBURBONSA-N 2 2 358.486 0.224 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000649335607 492537541 /nfs/dbraw/zinc/53/75/41/492537541.db2.gz NIOZSRHEQUJHCF-RTBURBONSA-N 2 2 358.486 0.224 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CCc2ccccc21 ZINC000649335696 492537875 /nfs/dbraw/zinc/53/78/75/492537875.db2.gz STLQJQVTZXIJPL-HKUYNNGSSA-N 2 2 358.486 0.396 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1[NH2+]CCc2ccccc21 ZINC000649335696 492537880 /nfs/dbraw/zinc/53/78/80/492537880.db2.gz STLQJQVTZXIJPL-HKUYNNGSSA-N 2 2 358.486 0.396 20 0 FCADLP COCC[C@@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717573 492540836 /nfs/dbraw/zinc/54/08/36/492540836.db2.gz VXZQRBSHJHLMCV-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP COCC[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717573 492540841 /nfs/dbraw/zinc/54/08/41/492540841.db2.gz VXZQRBSHJHLMCV-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000649410651 492552750 /nfs/dbraw/zinc/55/27/50/492552750.db2.gz LUSYTHFEJVVFAZ-ZBFHGGJFSA-N 2 2 352.504 0.440 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccnn1Cc1cccs1 ZINC000649419534 492553715 /nfs/dbraw/zinc/55/37/15/492553715.db2.gz UMKJKKVEPFNGAW-HNNXBMFYSA-N 2 2 374.514 0.911 20 0 FCADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccnn1Cc1cccs1 ZINC000649419534 492553719 /nfs/dbraw/zinc/55/37/19/492553719.db2.gz UMKJKKVEPFNGAW-HNNXBMFYSA-N 2 2 374.514 0.911 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636181513 492560682 /nfs/dbraw/zinc/56/06/82/492560682.db2.gz DIOOHVKMCVFGRI-UHFFFAOYSA-N 2 2 359.430 0.670 20 0 FCADLP O=C([C@H]1C[NH2+]CCOC1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000643799238 492564593 /nfs/dbraw/zinc/56/45/93/492564593.db2.gz ASQRGYSSWDUKIJ-JKSUJKDBSA-N 2 2 360.458 0.898 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636315557 492580046 /nfs/dbraw/zinc/58/00/46/492580046.db2.gz FOPFXEQZLRRKMP-UHFFFAOYSA-N 2 2 357.414 0.424 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000656307629 492582021 /nfs/dbraw/zinc/58/20/21/492582021.db2.gz SUHUVCADFWXIJB-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)CC2 ZINC000629172461 492582512 /nfs/dbraw/zinc/58/25/12/492582512.db2.gz ALCPSOUZQMFYCS-MRXNPFEDSA-N 2 2 363.458 0.245 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)CC2 ZINC000629172461 492582517 /nfs/dbraw/zinc/58/25/17/492582517.db2.gz ALCPSOUZQMFYCS-MRXNPFEDSA-N 2 2 363.458 0.245 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000629172461 492582523 /nfs/dbraw/zinc/58/25/23/492582523.db2.gz ALCPSOUZQMFYCS-MRXNPFEDSA-N 2 2 363.458 0.245 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)CC2 ZINC000629172461 492582528 /nfs/dbraw/zinc/58/25/28/492582528.db2.gz ALCPSOUZQMFYCS-MRXNPFEDSA-N 2 2 363.458 0.245 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000656312222 492585627 /nfs/dbraw/zinc/58/56/27/492585627.db2.gz LNBOBGUTCKTFLY-UHFFFAOYSA-N 2 2 364.494 0.435 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460141 492591789 /nfs/dbraw/zinc/59/17/89/492591789.db2.gz AJTLPEQKEJRTEU-LSDHHAIUSA-N 2 2 368.503 0.487 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460141 492591791 /nfs/dbraw/zinc/59/17/91/492591791.db2.gz AJTLPEQKEJRTEU-LSDHHAIUSA-N 2 2 368.503 0.487 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000656333808 492599198 /nfs/dbraw/zinc/59/91/98/492599198.db2.gz LGWWQQGXHWIROY-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000656333808 492599202 /nfs/dbraw/zinc/59/92/02/492599202.db2.gz LGWWQQGXHWIROY-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356844 492611292 /nfs/dbraw/zinc/61/12/92/492611292.db2.gz HIYBOQZCHFJROY-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356844 492611296 /nfs/dbraw/zinc/61/12/96/492611296.db2.gz HIYBOQZCHFJROY-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3nc(N)[nH+]c(N)n3)CC2)cs1 ZINC000624026715 492613673 /nfs/dbraw/zinc/61/36/73/492613673.db2.gz REKIUNGYBKDEQG-JTQLQIEISA-N 2 2 364.479 0.573 20 0 FCADLP CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3nc(N)[nH+]c(N)n3)CC2)cs1 ZINC000624026715 492613676 /nfs/dbraw/zinc/61/36/76/492613676.db2.gz REKIUNGYBKDEQG-JTQLQIEISA-N 2 2 364.479 0.573 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000636552692 492620467 /nfs/dbraw/zinc/62/04/67/492620467.db2.gz ZTNIMXMEFTWRTR-XWTMOSNGSA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000636552692 492620468 /nfs/dbraw/zinc/62/04/68/492620468.db2.gz ZTNIMXMEFTWRTR-XWTMOSNGSA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472543 492624306 /nfs/dbraw/zinc/62/43/06/492624306.db2.gz IYOQCYUASYYEQN-STQMWFEESA-N 2 2 360.399 0.434 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578594 492627122 /nfs/dbraw/zinc/62/71/22/492627122.db2.gz MBNSIYUSVDOQDN-WMZOPIPTSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636578594 492627127 /nfs/dbraw/zinc/62/71/27/492627127.db2.gz MBNSIYUSVDOQDN-WMZOPIPTSA-N 2 2 358.490 0.973 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000656694738 492642592 /nfs/dbraw/zinc/64/25/92/492642592.db2.gz QUKGJFCDVFZNFM-QZTJIDSGSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000656694738 492642595 /nfs/dbraw/zinc/64/25/95/492642595.db2.gz QUKGJFCDVFZNFM-QZTJIDSGSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543031 492642696 /nfs/dbraw/zinc/64/26/96/492642696.db2.gz RMKQHXSJUVIKRY-CABCVRRESA-N 2 2 351.495 0.369 20 0 FCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000629543031 492642697 /nfs/dbraw/zinc/64/26/97/492642697.db2.gz RMKQHXSJUVIKRY-CABCVRRESA-N 2 2 351.495 0.369 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559376 492644623 /nfs/dbraw/zinc/64/46/23/492644623.db2.gz BFKVBBIMQZDKGJ-RYUDHWBXSA-N 2 2 361.430 0.401 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559376 492644626 /nfs/dbraw/zinc/64/46/26/492644626.db2.gz BFKVBBIMQZDKGJ-RYUDHWBXSA-N 2 2 361.430 0.401 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629564226 492645279 /nfs/dbraw/zinc/64/52/79/492645279.db2.gz GZFUVJDXHJALSE-FPMFFAJLSA-N 2 2 364.412 0.525 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629564226 492645281 /nfs/dbraw/zinc/64/52/81/492645281.db2.gz GZFUVJDXHJALSE-FPMFFAJLSA-N 2 2 364.412 0.525 20 0 FCADLP COc1cc(NC(=O)CC[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc(OC)c1OC ZINC000629607128 492658381 /nfs/dbraw/zinc/65/83/81/492658381.db2.gz PQERTYMCQDRTMA-CQSZACIVSA-N 2 2 367.446 0.697 20 0 FCADLP COc1cc(NC(=O)CC[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc(OC)c1OC ZINC000629607128 492658386 /nfs/dbraw/zinc/65/83/86/492658386.db2.gz PQERTYMCQDRTMA-CQSZACIVSA-N 2 2 367.446 0.697 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@@]3(O)CCCOC3)CC2)CC1 ZINC000650798855 492669126 /nfs/dbraw/zinc/66/91/26/492669126.db2.gz LIVBXHAGUAMUAX-IBGZPJMESA-N 2 2 368.522 0.776 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629784597 492671042 /nfs/dbraw/zinc/67/10/42/492671042.db2.gz QQMMPUJYBRSFAW-VXGBXAGGSA-N 2 2 350.385 0.136 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000629800458 492678663 /nfs/dbraw/zinc/67/86/63/492678663.db2.gz UMNSJMAGWRNSCU-UHFFFAOYSA-N 2 2 365.478 0.336 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629802960 492680563 /nfs/dbraw/zinc/68/05/63/492680563.db2.gz XSSTWASWDVVXDL-AWEZNQCLSA-N 2 2 351.451 0.390 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000644253564 492683322 /nfs/dbraw/zinc/68/33/22/492683322.db2.gz FNMAGBTYJKLPLW-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000644253564 492683323 /nfs/dbraw/zinc/68/33/23/492683323.db2.gz FNMAGBTYJKLPLW-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@](C)(CO)[C@](C)(CO)C3)C2)CC1 ZINC000636792593 492694583 /nfs/dbraw/zinc/69/45/83/492694583.db2.gz XQIVVNWWKXNHQG-ZYSHUDEJSA-N 2 2 368.522 0.177 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@](C)(CO)[C@](C)(CO)C3)C2)CC1 ZINC000636792593 492694585 /nfs/dbraw/zinc/69/45/85/492694585.db2.gz XQIVVNWWKXNHQG-ZYSHUDEJSA-N 2 2 368.522 0.177 20 0 FCADLP CC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636792192 492694661 /nfs/dbraw/zinc/69/46/61/492694661.db2.gz PZQCQMXPVMNIRY-AEFFLSMTSA-N 2 2 365.522 0.855 20 0 FCADLP CC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636792192 492694665 /nfs/dbraw/zinc/69/46/65/492694665.db2.gz PZQCQMXPVMNIRY-AEFFLSMTSA-N 2 2 365.522 0.855 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636819032 492702494 /nfs/dbraw/zinc/70/24/94/492702494.db2.gz SWPJNRQFAOOHPF-QFBILLFUSA-N 2 2 366.506 0.386 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000636819032 492702498 /nfs/dbraw/zinc/70/24/98/492702498.db2.gz SWPJNRQFAOOHPF-QFBILLFUSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000636819032 492702503 /nfs/dbraw/zinc/70/25/03/492702503.db2.gz SWPJNRQFAOOHPF-QFBILLFUSA-N 2 2 366.506 0.386 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000636819032 492702505 /nfs/dbraw/zinc/70/25/05/492702505.db2.gz SWPJNRQFAOOHPF-QFBILLFUSA-N 2 2 366.506 0.386 20 0 FCADLP CN(C(=O)NCCN1CCCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651305615 492738510 /nfs/dbraw/zinc/73/85/10/492738510.db2.gz QDIRURAABNVOGY-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP CN(C(=O)NCCN1CCCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651305615 492738512 /nfs/dbraw/zinc/73/85/12/492738512.db2.gz QDIRURAABNVOGY-MRXNPFEDSA-N 2 2 351.495 0.419 20 0 FCADLP CCN1C[C@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000651318528 492741918 /nfs/dbraw/zinc/74/19/18/492741918.db2.gz GIDXYJLTTTXIRL-HNNXBMFYSA-N 2 2 353.511 0.522 20 0 FCADLP CCN1C[C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000651318528 492741920 /nfs/dbraw/zinc/74/19/20/492741920.db2.gz GIDXYJLTTTXIRL-HNNXBMFYSA-N 2 2 353.511 0.522 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(n2cnnn2)CCCCC1 ZINC000651332643 492743110 /nfs/dbraw/zinc/74/31/10/492743110.db2.gz CYLOAFXADGSGJE-UHFFFAOYSA-N 2 2 363.510 0.817 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(n2cnnn2)CCCCC1 ZINC000651332643 492743113 /nfs/dbraw/zinc/74/31/13/492743113.db2.gz CYLOAFXADGSGJE-UHFFFAOYSA-N 2 2 363.510 0.817 20 0 FCADLP CN(C(=O)NCC[C@@]1(O)CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651444394 492758715 /nfs/dbraw/zinc/75/87/15/492758715.db2.gz HLTXDPCWSBPXHF-MJGOQNOKSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C(=O)NCC[C@@]1(O)CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651444394 492758716 /nfs/dbraw/zinc/75/87/16/492758716.db2.gz HLTXDPCWSBPXHF-MJGOQNOKSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CCC1 ZINC000637071781 492760370 /nfs/dbraw/zinc/76/03/70/492760370.db2.gz XGNHZTMCBNWQEG-SFHVURJKSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CCC1 ZINC000637071781 492760375 /nfs/dbraw/zinc/76/03/75/492760375.db2.gz XGNHZTMCBNWQEG-SFHVURJKSA-N 2 2 354.495 0.386 20 0 FCADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000657648373 492770751 /nfs/dbraw/zinc/77/07/51/492770751.db2.gz JZLZXBVAXVWEOR-INIZCTEOSA-N 2 2 353.426 0.891 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(CC[NH+](C)C)c3)c[nH+]2)CCO1 ZINC000630747154 492771678 /nfs/dbraw/zinc/77/16/78/492771678.db2.gz MAPDOOMDSCOANS-OAHLLOKOSA-N 2 2 372.473 0.995 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000630747708 492772066 /nfs/dbraw/zinc/77/20/66/492772066.db2.gz VDOVGHBOTZKNLI-KLHDSHLOSA-N 2 2 358.446 0.815 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000644558371 492784721 /nfs/dbraw/zinc/78/47/21/492784721.db2.gz FCPMHEMSHCIZDX-HNNXBMFYSA-N 2 2 353.438 0.708 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743919 492787884 /nfs/dbraw/zinc/78/78/84/492787884.db2.gz DOKZSWHUQMVNPQ-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743919 492787891 /nfs/dbraw/zinc/78/78/91/492787891.db2.gz DOKZSWHUQMVNPQ-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000657744065 492789147 /nfs/dbraw/zinc/78/91/47/492789147.db2.gz HBFQCHUHMUGSHZ-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000657744065 492789149 /nfs/dbraw/zinc/78/91/49/492789149.db2.gz HBFQCHUHMUGSHZ-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000637217445 492791326 /nfs/dbraw/zinc/79/13/26/492791326.db2.gz UTDWQNMLXRPWRL-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000637217445 492791331 /nfs/dbraw/zinc/79/13/31/492791331.db2.gz UTDWQNMLXRPWRL-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637217445 492791335 /nfs/dbraw/zinc/79/13/35/492791335.db2.gz UTDWQNMLXRPWRL-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637217445 492791338 /nfs/dbraw/zinc/79/13/38/492791338.db2.gz UTDWQNMLXRPWRL-APWZRJJASA-N 2 2 368.522 0.633 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)C[C@@H](C)O1 ZINC000644640983 492795312 /nfs/dbraw/zinc/79/53/12/492795312.db2.gz MHAHJFXLSILFJU-BFYDXBDKSA-N 2 2 360.462 0.265 20 0 FCADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000631075279 492797184 /nfs/dbraw/zinc/79/71/84/492797184.db2.gz AILWBOQLJPSCGE-GOSISDBHSA-N 2 2 360.458 0.668 20 0 FCADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)ccn1 ZINC000631100687 492797381 /nfs/dbraw/zinc/79/73/81/492797381.db2.gz CMPHMLFLTHZDHK-MRXNPFEDSA-N 2 2 360.462 0.940 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)NCCF ZINC000631129186 492799412 /nfs/dbraw/zinc/79/94/12/492799412.db2.gz XMZBTNXRGPXKPG-OAHLLOKOSA-N 2 2 353.438 0.961 20 0 FCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637284371 492805264 /nfs/dbraw/zinc/80/52/64/492805264.db2.gz IRPZWNMFHGZHGK-ARFHVFGLSA-N 2 2 352.479 0.260 20 0 FCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000637284371 492805267 /nfs/dbraw/zinc/80/52/67/492805267.db2.gz IRPZWNMFHGZHGK-ARFHVFGLSA-N 2 2 352.479 0.260 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)cc2[nH+]1 ZINC000657867496 492805853 /nfs/dbraw/zinc/80/58/53/492805853.db2.gz MNHMKSBJCSHRBP-AWEZNQCLSA-N 2 2 373.457 0.885 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)cc2[nH+]1 ZINC000657867496 492805854 /nfs/dbraw/zinc/80/58/54/492805854.db2.gz MNHMKSBJCSHRBP-AWEZNQCLSA-N 2 2 373.457 0.885 20 0 FCADLP O=C([C@H]1CC[C@@H]1C(=O)N1CC(n2cc[nH+]c2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000631302013 492810355 /nfs/dbraw/zinc/81/03/55/492810355.db2.gz ZYJYHTZOXREWLD-HOTGVXAUSA-N 2 2 354.414 0.573 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nn1 ZINC000631846450 492860672 /nfs/dbraw/zinc/86/06/72/492860672.db2.gz ZAYLAGQNJOWCHJ-OAHLLOKOSA-N 2 2 350.373 0.578 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nn1 ZINC000631846450 492860675 /nfs/dbraw/zinc/86/06/75/492860675.db2.gz ZAYLAGQNJOWCHJ-OAHLLOKOSA-N 2 2 350.373 0.578 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1 ZINC000652012816 492862555 /nfs/dbraw/zinc/86/25/55/492862555.db2.gz NVXRAFSHEJTWPG-UHFFFAOYSA-N 2 2 373.505 0.673 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1 ZINC000652012816 492862558 /nfs/dbraw/zinc/86/25/58/492862558.db2.gz NVXRAFSHEJTWPG-UHFFFAOYSA-N 2 2 373.505 0.673 20 0 FCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCN(C(=O)c2cccs2)CC1 ZINC000631869030 492866528 /nfs/dbraw/zinc/86/65/28/492866528.db2.gz FBBCFYDBPIGJHE-KDOFPFPSSA-N 2 2 362.499 0.764 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000645135116 492870971 /nfs/dbraw/zinc/87/09/71/492870971.db2.gz DSCRLVHKZXMOJB-UHFFFAOYSA-N 2 2 372.473 0.695 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631909922 492876471 /nfs/dbraw/zinc/87/64/71/492876471.db2.gz SSGHAZSYVUQKLR-CQSZACIVSA-N 2 2 352.460 0.643 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@@H](C)CO1 ZINC000658420149 492880025 /nfs/dbraw/zinc/88/00/25/492880025.db2.gz LDTGQQVWFUBSCN-UONOGXRCSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@@H](C)CO1 ZINC000658420149 492880029 /nfs/dbraw/zinc/88/00/29/492880029.db2.gz LDTGQQVWFUBSCN-UONOGXRCSA-N 2 2 372.429 0.431 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cn1 ZINC000637951327 492883746 /nfs/dbraw/zinc/88/37/46/492883746.db2.gz DVUVYLQTPALNJC-UHFFFAOYSA-N 2 2 361.368 0.662 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000645319142 492892551 /nfs/dbraw/zinc/89/25/51/492892551.db2.gz MPTXQCRCPSYSTN-NVXWUHKLSA-N 2 2 355.442 0.884 20 0 FCADLP CN(CCOCC[NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000625841040 492894136 /nfs/dbraw/zinc/89/41/36/492894136.db2.gz BAMXQLHFYIRVGM-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000652223522 492896468 /nfs/dbraw/zinc/89/64/68/492896468.db2.gz HJRZNTUCZRXAGK-IXDOHACOSA-N 2 2 354.495 0.365 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cn1 ZINC000638112972 492910095 /nfs/dbraw/zinc/91/00/95/492910095.db2.gz OXMVIPVIHXAMAD-QGZVFWFLSA-N 2 2 355.442 0.609 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCc1ccco1 ZINC000658495226 492914251 /nfs/dbraw/zinc/91/42/51/492914251.db2.gz NYIPOBAWMOQCGO-UHFFFAOYSA-N 2 2 364.490 0.813 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCc1ccco1 ZINC000658495226 492914253 /nfs/dbraw/zinc/91/42/53/492914253.db2.gz NYIPOBAWMOQCGO-UHFFFAOYSA-N 2 2 364.490 0.813 20 0 FCADLP C[C@@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000638137396 492914943 /nfs/dbraw/zinc/91/49/43/492914943.db2.gz JVMONMHDSFLRNI-JENIJYKNSA-N 2 2 362.518 0.919 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000652370672 492918676 /nfs/dbraw/zinc/91/86/76/492918676.db2.gz JLDXGQGKNINHSJ-UAGQMJEPSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000652370672 492918679 /nfs/dbraw/zinc/91/86/79/492918679.db2.gz JLDXGQGKNINHSJ-UAGQMJEPSA-N 2 2 363.506 0.608 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174186 492921149 /nfs/dbraw/zinc/92/11/49/492921149.db2.gz OMVUHEFIJYZXQN-SFHVURJKSA-N 2 2 358.486 0.584 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174186 492921150 /nfs/dbraw/zinc/92/11/50/492921150.db2.gz OMVUHEFIJYZXQN-SFHVURJKSA-N 2 2 358.486 0.584 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658514137 492922405 /nfs/dbraw/zinc/92/24/05/492922405.db2.gz HPFDUWAMXJDFCW-NVXWUHKLSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000638185477 492922377 /nfs/dbraw/zinc/92/23/77/492922377.db2.gz WCPRKCDEPVLNJX-PMPSAXMXSA-N 2 2 351.495 0.452 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000658515465 492923135 /nfs/dbraw/zinc/92/31/35/492923135.db2.gz CGBFDPFMFUIBJK-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000638339502 492937139 /nfs/dbraw/zinc/93/71/39/492937139.db2.gz BYGSOZGASOBUKN-XRGAULLZSA-N 2 2 363.462 0.152 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000638442572 492948045 /nfs/dbraw/zinc/94/80/45/492948045.db2.gz XINDBOZHRRHUDE-OWCBBSPXSA-N 2 2 361.446 0.048 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652528096 492961669 /nfs/dbraw/zinc/96/16/69/492961669.db2.gz LOPOXYRZSWHAEK-KRWDZBQOSA-N 2 2 369.469 0.764 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652528096 492961670 /nfs/dbraw/zinc/96/16/70/492961670.db2.gz LOPOXYRZSWHAEK-KRWDZBQOSA-N 2 2 369.469 0.764 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)[C@H](Cc2ccccc2)C1 ZINC000652529258 492962633 /nfs/dbraw/zinc/96/26/33/492962633.db2.gz IZUUPBPWEQBJBF-QGZVFWFLSA-N 2 2 367.453 0.611 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)[C@H](Cc2ccccc2)C1 ZINC000652529258 492962637 /nfs/dbraw/zinc/96/26/37/492962637.db2.gz IZUUPBPWEQBJBF-QGZVFWFLSA-N 2 2 367.453 0.611 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652528286 492963627 /nfs/dbraw/zinc/96/36/27/492963627.db2.gz RAZCRPMAAHYFSK-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652528286 492963633 /nfs/dbraw/zinc/96/36/33/492963633.db2.gz RAZCRPMAAHYFSK-LJQANCHMSA-N 2 2 372.513 0.926 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626332315 492964013 /nfs/dbraw/zinc/96/40/13/492964013.db2.gz NKAAJSHHMQHFGN-XRGAULLZSA-N 2 2 363.462 0.260 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626332315 492964016 /nfs/dbraw/zinc/96/40/16/492964016.db2.gz NKAAJSHHMQHFGN-XRGAULLZSA-N 2 2 363.462 0.260 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[NH2+]1 ZINC000638641943 492969775 /nfs/dbraw/zinc/96/97/75/492969775.db2.gz FRUBFPDFTILMPH-ZIAGYGMSSA-N 2 2 353.488 0.892 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[NH2+]1 ZINC000638641937 492969809 /nfs/dbraw/zinc/96/98/09/492969809.db2.gz FRUBFPDFTILMPH-KBPBESRZSA-N 2 2 353.488 0.892 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000652644241 492977158 /nfs/dbraw/zinc/97/71/58/492977158.db2.gz VLGVPRGMFWBQMQ-UHFFFAOYSA-N 2 2 374.485 0.963 20 0 FCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658617046 492982122 /nfs/dbraw/zinc/98/21/22/492982122.db2.gz RLMJMJHTHJBMSM-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CCO[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000658617046 492982125 /nfs/dbraw/zinc/98/21/25/492982125.db2.gz RLMJMJHTHJBMSM-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000638855697 492982273 /nfs/dbraw/zinc/98/22/73/492982273.db2.gz HUCGKKGWAMJRAH-NVXWUHKLSA-N 2 2 360.458 0.506 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@]12CCCO2 ZINC000638872862 492983420 /nfs/dbraw/zinc/98/34/20/492983420.db2.gz ZERBLRPSYPOERV-IMBTUZDBSA-N 2 2 367.490 0.236 20 0 FCADLP COc1cc(C[C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccn1 ZINC000638871549 492983642 /nfs/dbraw/zinc/98/36/42/492983642.db2.gz MIRDXISTADXDIM-WBVHZDCISA-N 2 2 362.474 0.544 20 0 FCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000645861540 492984401 /nfs/dbraw/zinc/98/44/01/492984401.db2.gz QXZPHZXWFPHVEX-HNNXBMFYSA-N 2 2 363.849 0.620 20 0 FCADLP O=C(CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc[nH+]2)CC1 ZINC000638938663 492989110 /nfs/dbraw/zinc/98/91/10/492989110.db2.gz KNTGYYVZOLJCGN-IYBDPMFKSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000638985500 492990930 /nfs/dbraw/zinc/99/09/30/492990930.db2.gz INUKHGDMEHXOMU-MRXNPFEDSA-N 3 2 355.446 0.865 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1(C)C ZINC000639005717 492991317 /nfs/dbraw/zinc/99/13/17/492991317.db2.gz ZVMNFOHKDZJWNT-VQIMIIECSA-N 2 2 361.490 0.696 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652698725 492994025 /nfs/dbraw/zinc/99/40/25/492994025.db2.gz JCBMHSDYSOFBLO-ZWKOTPCHSA-N 2 2 360.502 0.861 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652698725 492994027 /nfs/dbraw/zinc/99/40/27/492994027.db2.gz JCBMHSDYSOFBLO-ZWKOTPCHSA-N 2 2 360.502 0.861 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000652725794 493004966 /nfs/dbraw/zinc/00/49/66/493004966.db2.gz TZHAHYMUCRPKPX-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP c1ccc(C[N@@H+]2CCO[C@@H](c3nnn(CCN4CC[NH2+]CC4)n3)C2)cc1 ZINC000646066403 493009544 /nfs/dbraw/zinc/00/95/44/493009544.db2.gz MUMWBUFCFQIHNL-QGZVFWFLSA-N 2 2 357.462 0.152 20 0 FCADLP c1ccc(C[N@H+]2CCO[C@@H](c3nnn(CCN4CC[NH2+]CC4)n3)C2)cc1 ZINC000646066403 493009547 /nfs/dbraw/zinc/00/95/47/493009547.db2.gz MUMWBUFCFQIHNL-QGZVFWFLSA-N 2 2 357.462 0.152 20 0 FCADLP c1ccc(C[N@@H+]2CCO[C@H](c3nnn(CCN4CC[NH2+]CC4)n3)C2)cc1 ZINC000646066402 493009570 /nfs/dbraw/zinc/00/95/70/493009570.db2.gz MUMWBUFCFQIHNL-KRWDZBQOSA-N 2 2 357.462 0.152 20 0 FCADLP c1ccc(C[N@H+]2CCO[C@H](c3nnn(CCN4CC[NH2+]CC4)n3)C2)cc1 ZINC000646066402 493009574 /nfs/dbraw/zinc/00/95/74/493009574.db2.gz MUMWBUFCFQIHNL-KRWDZBQOSA-N 2 2 357.462 0.152 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC[C@H]1Cc3ccccc3O1)CCO2 ZINC000646104357 493012798 /nfs/dbraw/zinc/01/27/98/493012798.db2.gz AVMIMXYYGUREJU-QGZVFWFLSA-N 2 2 359.470 0.903 20 0 FCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC[C@H]1Cc3ccccc3O1)CCO2 ZINC000646104357 493012800 /nfs/dbraw/zinc/01/28/00/493012800.db2.gz AVMIMXYYGUREJU-QGZVFWFLSA-N 2 2 359.470 0.903 20 0 FCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500976 493014785 /nfs/dbraw/zinc/01/47/85/493014785.db2.gz RQFUUBZETVCDOZ-INIZCTEOSA-N 2 2 374.551 0.333 20 0 FCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500976 493014788 /nfs/dbraw/zinc/01/47/88/493014788.db2.gz RQFUUBZETVCDOZ-INIZCTEOSA-N 2 2 374.551 0.333 20 0 FCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500976 493014790 /nfs/dbraw/zinc/01/47/90/493014790.db2.gz RQFUUBZETVCDOZ-INIZCTEOSA-N 2 2 374.551 0.333 20 0 FCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639500976 493014792 /nfs/dbraw/zinc/01/47/92/493014792.db2.gz RQFUUBZETVCDOZ-INIZCTEOSA-N 2 2 374.551 0.333 20 0 FCADLP O=C1COc2ccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc2N1 ZINC000646139708 493018271 /nfs/dbraw/zinc/01/82/71/493018271.db2.gz HWIFTQJLOBDNKX-INIZCTEOSA-N 2 2 360.458 0.514 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702173 493033603 /nfs/dbraw/zinc/03/36/03/493033603.db2.gz OEKGIQHEMDEMLV-DOTOQJQBSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)ccn1 ZINC000639702173 493033608 /nfs/dbraw/zinc/03/36/08/493033608.db2.gz OEKGIQHEMDEMLV-DOTOQJQBSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)ccn1 ZINC000639702173 493033612 /nfs/dbraw/zinc/03/36/12/493033612.db2.gz OEKGIQHEMDEMLV-DOTOQJQBSA-N 2 2 362.474 0.740 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)ccn1 ZINC000639702173 493033615 /nfs/dbraw/zinc/03/36/15/493033615.db2.gz OEKGIQHEMDEMLV-DOTOQJQBSA-N 2 2 362.474 0.740 20 0 FCADLP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000632596047 493041444 /nfs/dbraw/zinc/04/14/44/493041444.db2.gz DSCCEXFYKIESMY-UHFFFAOYSA-N 2 2 373.457 0.967 20 0 FCADLP CNC(=O)CC[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639838082 493054702 /nfs/dbraw/zinc/05/47/02/493054702.db2.gz DEGGDAINQRQYOG-UHFFFAOYSA-N 2 2 373.501 0.678 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000653065071 493065145 /nfs/dbraw/zinc/06/51/45/493065145.db2.gz RSQLIVSVVMPKHS-OAHLLOKOSA-N 2 2 352.866 0.903 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653061504 493065160 /nfs/dbraw/zinc/06/51/60/493065160.db2.gz SDDOUMDNKZSRJX-INIZCTEOSA-N 2 2 370.519 0.612 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000653069944 493066240 /nfs/dbraw/zinc/06/62/40/493066240.db2.gz CYQBBIFYPDHVOK-QGZVFWFLSA-N 2 2 364.465 0.960 20 0 FCADLP C[NH2+]CCOCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000626931502 493066678 /nfs/dbraw/zinc/06/66/78/493066678.db2.gz GZMNKSNCMUNGSE-AWEZNQCLSA-N 2 2 351.451 0.342 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626936540 493067378 /nfs/dbraw/zinc/06/73/78/493067378.db2.gz IPRJVRALDFDLOO-KRWDZBQOSA-N 2 2 350.463 0.677 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000653079532 493067805 /nfs/dbraw/zinc/06/78/05/493067805.db2.gz CMUFYAMKTJAPDC-GOSISDBHSA-N 2 2 360.502 0.959 20 0 FCADLP CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079682 493067892 /nfs/dbraw/zinc/06/78/92/493067892.db2.gz JVACOAOZYCKYSD-INIZCTEOSA-N 2 2 371.503 0.596 20 0 FCADLP COc1ccc(NC(=O)Cn2cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn2)cc1 ZINC000653081739 493067963 /nfs/dbraw/zinc/06/79/63/493067963.db2.gz ZEDZWNDQNHRHIE-MRXNPFEDSA-N 2 2 374.445 0.748 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000653080157 493068004 /nfs/dbraw/zinc/06/80/04/493068004.db2.gz ZXYAKHWPWLAVFM-INIZCTEOSA-N 2 2 366.893 0.832 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000653078864 493068121 /nfs/dbraw/zinc/06/81/21/493068121.db2.gz LWOANEWAUBNCFY-CYBMUJFWSA-N 3 2 354.417 0.379 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)cn2c1 ZINC000626945727 493069046 /nfs/dbraw/zinc/06/90/46/493069046.db2.gz XOODRRYPTOEPMX-OAHLLOKOSA-N 2 2 354.418 0.768 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000653106231 493070740 /nfs/dbraw/zinc/07/07/40/493070740.db2.gz YADCTHWPKDVQNY-MRXNPFEDSA-N 2 2 365.453 0.187 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653116575 493072574 /nfs/dbraw/zinc/07/25/74/493072574.db2.gz MBXNSILJUYTJQH-IAGOWNOFSA-N 2 2 371.485 0.930 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123296 493075113 /nfs/dbraw/zinc/07/51/13/493075113.db2.gz UMJJMBMCVLDEBB-CRAIPNDOSA-N 3 2 364.490 0.673 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123296 493075117 /nfs/dbraw/zinc/07/51/17/493075117.db2.gz UMJJMBMCVLDEBB-CRAIPNDOSA-N 3 2 364.490 0.673 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1Cl ZINC000640048756 493079558 /nfs/dbraw/zinc/07/95/58/493079558.db2.gz CVXSXNBRWJRCOM-AWEZNQCLSA-N 2 2 355.866 0.786 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1Cl ZINC000640048756 493079560 /nfs/dbraw/zinc/07/95/60/493079560.db2.gz CVXSXNBRWJRCOM-AWEZNQCLSA-N 2 2 355.866 0.786 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000653160106 493079845 /nfs/dbraw/zinc/07/98/45/493079845.db2.gz YGKKKABEWCFBGR-HUUCEWRRSA-N 2 2 359.430 0.916 20 0 FCADLP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051781 493080917 /nfs/dbraw/zinc/08/09/17/493080917.db2.gz ZSMOTXBKZHAZPY-UHFFFAOYSA-N 2 2 363.487 0.313 20 0 FCADLP Cc1nc2sccn2c(=O)c1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051781 493080921 /nfs/dbraw/zinc/08/09/21/493080921.db2.gz ZSMOTXBKZHAZPY-UHFFFAOYSA-N 2 2 363.487 0.313 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000653275520 493088363 /nfs/dbraw/zinc/08/83/63/493088363.db2.gz HINYXKOSHAMSGT-QGZVFWFLSA-N 2 2 351.447 0.502 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627112041 493089314 /nfs/dbraw/zinc/08/93/14/493089314.db2.gz ZAIGBVXMWVPISV-QVDUIBETSA-N 2 2 360.462 0.381 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000653356133 493098295 /nfs/dbraw/zinc/09/82/95/493098295.db2.gz HYCPUTNMALEHKK-KRWDZBQOSA-N 2 2 355.442 0.385 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000653356133 493098300 /nfs/dbraw/zinc/09/83/00/493098300.db2.gz HYCPUTNMALEHKK-KRWDZBQOSA-N 2 2 355.442 0.385 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC000632998368 493100449 /nfs/dbraw/zinc/10/04/49/493100449.db2.gz NPCIXHDDUWPQTD-OAHLLOKOSA-N 2 2 360.462 0.229 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000627227902 493110771 /nfs/dbraw/zinc/11/07/71/493110771.db2.gz QWDXOASNWFOKAD-KRWDZBQOSA-N 2 2 370.461 0.235 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530342 493113139 /nfs/dbraw/zinc/11/31/39/493113139.db2.gz CKJDCMRBXFDHRQ-JKSUJKDBSA-N 2 2 359.536 0.876 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530342 493113143 /nfs/dbraw/zinc/11/31/43/493113143.db2.gz CKJDCMRBXFDHRQ-JKSUJKDBSA-N 2 2 359.536 0.876 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653391152 493114929 /nfs/dbraw/zinc/11/49/29/493114929.db2.gz WNHSMBNMDWULKN-INIZCTEOSA-N 2 2 355.442 0.422 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000653391152 493114933 /nfs/dbraw/zinc/11/49/33/493114933.db2.gz WNHSMBNMDWULKN-INIZCTEOSA-N 2 2 355.442 0.422 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC000640551316 493116388 /nfs/dbraw/zinc/11/63/88/493116388.db2.gz KDJFAFDWNQROBP-UHFFFAOYSA-N 2 2 357.480 0.442 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640574615 493118537 /nfs/dbraw/zinc/11/85/37/493118537.db2.gz DGBXKGZSEWQODQ-UHFFFAOYSA-N 2 2 365.478 0.956 20 0 FCADLP C[NH+](C)Cc1cc(NC(=O)N(CCO)CC[NH+]2CCOCC2)ccn1 ZINC000640609156 493120578 /nfs/dbraw/zinc/12/05/78/493120578.db2.gz KQRNKGRGSBJFAH-UHFFFAOYSA-N 2 2 351.451 0.302 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640619611 493122581 /nfs/dbraw/zinc/12/25/81/493122581.db2.gz RALASDVTSWZYSW-UHFFFAOYSA-N 2 2 365.478 0.956 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(C[NH+]3CCC(OC)CC3)nn2)CC1 ZINC000640829817 493133406 /nfs/dbraw/zinc/13/34/06/493133406.db2.gz GKUVCEHBUZUDKS-OAHLLOKOSA-N 2 2 364.494 0.614 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000646978093 493138479 /nfs/dbraw/zinc/13/84/79/493138479.db2.gz QGEMJJKSBYEWLW-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000646978093 493138484 /nfs/dbraw/zinc/13/84/84/493138484.db2.gz QGEMJJKSBYEWLW-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH2+][C@H](C)c1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000640873798 493142694 /nfs/dbraw/zinc/14/26/94/493142694.db2.gz AMGXKZHPXITOEO-OAHLLOKOSA-N 2 2 372.473 0.707 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000647028494 493147895 /nfs/dbraw/zinc/14/78/95/493147895.db2.gz SUZDJYCZQSSETG-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647028494 493147897 /nfs/dbraw/zinc/14/78/97/493147897.db2.gz SUZDJYCZQSSETG-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647052334 493153125 /nfs/dbraw/zinc/15/31/25/493153125.db2.gz XWGJNYNZQPFOCU-HZPDHXFCSA-N 2 2 359.474 0.719 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647052334 493153131 /nfs/dbraw/zinc/15/31/31/493153131.db2.gz XWGJNYNZQPFOCU-HZPDHXFCSA-N 2 2 359.474 0.719 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647052335 493153705 /nfs/dbraw/zinc/15/37/05/493153705.db2.gz XWGJNYNZQPFOCU-JKSUJKDBSA-N 2 2 359.474 0.719 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647052335 493153707 /nfs/dbraw/zinc/15/37/07/493153707.db2.gz XWGJNYNZQPFOCU-JKSUJKDBSA-N 2 2 359.474 0.719 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000647057469 493154289 /nfs/dbraw/zinc/15/42/89/493154289.db2.gz QXMOJWSZEFPKSF-GJZGRUSLSA-N 2 2 351.422 0.878 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000647057469 493154291 /nfs/dbraw/zinc/15/42/91/493154291.db2.gz QXMOJWSZEFPKSF-GJZGRUSLSA-N 2 2 351.422 0.878 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C)CCC(F)(F)F ZINC000627336930 493159754 /nfs/dbraw/zinc/15/97/54/493159754.db2.gz OLZIVIYXOCZNJM-CYBMUJFWSA-N 2 2 366.428 0.833 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C)CCC(F)(F)F ZINC000627336930 493159756 /nfs/dbraw/zinc/15/97/56/493159756.db2.gz OLZIVIYXOCZNJM-CYBMUJFWSA-N 2 2 366.428 0.833 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)cn21 ZINC000647098439 493163198 /nfs/dbraw/zinc/16/31/98/493163198.db2.gz PAPMIRHVEAPCKR-CQSZACIVSA-N 2 2 353.430 0.959 20 0 FCADLP COCC[N@H+](C)Cc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641047697 493164139 /nfs/dbraw/zinc/16/41/39/493164139.db2.gz PEHZVCVOIWIRCO-UHFFFAOYSA-N 2 2 352.483 0.345 20 0 FCADLP COCC[N@@H+](C)Cc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641047697 493164145 /nfs/dbraw/zinc/16/41/45/493164145.db2.gz PEHZVCVOIWIRCO-UHFFFAOYSA-N 2 2 352.483 0.345 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681519421 493180673 /nfs/dbraw/zinc/18/06/73/493180673.db2.gz OJNDLQHGAIFFDX-QMCVQRASSA-N 2 2 354.495 0.647 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681519421 493180676 /nfs/dbraw/zinc/18/06/76/493180676.db2.gz OJNDLQHGAIFFDX-QMCVQRASSA-N 2 2 354.495 0.647 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000641209260 493182251 /nfs/dbraw/zinc/18/22/51/493182251.db2.gz WFRDWZYBUGWUPN-OLZOCXBDSA-N 2 2 358.450 0.465 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681603987 493194648 /nfs/dbraw/zinc/19/46/48/493194648.db2.gz HRINQEZSMHGAEV-CVEARBPZSA-N 2 2 355.446 0.657 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000681603987 493194654 /nfs/dbraw/zinc/19/46/54/493194654.db2.gz HRINQEZSMHGAEV-CVEARBPZSA-N 2 2 355.446 0.657 20 0 FCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H]1c1cnn(C)c1 ZINC000659346004 493196816 /nfs/dbraw/zinc/19/68/16/493196816.db2.gz YAEGOPPROAPFRN-HOTGVXAUSA-N 2 2 361.490 0.960 20 0 FCADLP CC[N@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H]1c1cnn(C)c1 ZINC000659346004 493196822 /nfs/dbraw/zinc/19/68/22/493196822.db2.gz YAEGOPPROAPFRN-HOTGVXAUSA-N 2 2 361.490 0.960 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000627390475 493197552 /nfs/dbraw/zinc/19/75/52/493197552.db2.gz NBWXURHBNXIOBN-NWDGAFQWSA-N 2 2 361.368 0.375 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672557378 493205636 /nfs/dbraw/zinc/20/56/36/493205636.db2.gz DSUIQIDCKLQEPW-VQIMIIECSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672557378 493205638 /nfs/dbraw/zinc/20/56/38/493205638.db2.gz DSUIQIDCKLQEPW-VQIMIIECSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)CNC(=O)c1cccc(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681730090 493211354 /nfs/dbraw/zinc/21/13/54/493211354.db2.gz KGYINHGASQQVBO-KRWDZBQOSA-N 2 2 374.485 0.749 20 0 FCADLP CN(C(=O)CNC(=O)c1cccc(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681730090 493211359 /nfs/dbraw/zinc/21/13/59/493211359.db2.gz KGYINHGASQQVBO-KRWDZBQOSA-N 2 2 374.485 0.749 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000672597619 493212942 /nfs/dbraw/zinc/21/29/42/493212942.db2.gz MTJSHCKOXGXJPW-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000672597619 493212944 /nfs/dbraw/zinc/21/29/44/493212944.db2.gz MTJSHCKOXGXJPW-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000659581168 493216203 /nfs/dbraw/zinc/21/62/03/493216203.db2.gz JEKHKHWEAMGMTI-CKEIUWERSA-N 3 2 367.444 0.695 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000659581168 493216207 /nfs/dbraw/zinc/21/62/07/493216207.db2.gz JEKHKHWEAMGMTI-CKEIUWERSA-N 3 2 367.444 0.695 20 0 FCADLP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666692034 493217520 /nfs/dbraw/zinc/21/75/20/493217520.db2.gz WPKSRXRNWABFAG-INIZCTEOSA-N 2 2 372.469 0.594 20 0 FCADLP CC[C@H]1C(=O)N(CC)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681791976 493218077 /nfs/dbraw/zinc/21/80/77/493218077.db2.gz SKTFTYCEDSZOBN-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP CC[C@H]1C(=O)N(CC)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681791976 493218079 /nfs/dbraw/zinc/21/80/79/493218079.db2.gz SKTFTYCEDSZOBN-WBVHZDCISA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H]1CC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672637420 493219946 /nfs/dbraw/zinc/21/99/46/493219946.db2.gz GTFBSZYZBGBTIY-KFWWJZLASA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1CC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672637420 493219951 /nfs/dbraw/zinc/21/99/51/493219951.db2.gz GTFBSZYZBGBTIY-KFWWJZLASA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637652 493220142 /nfs/dbraw/zinc/22/01/42/493220142.db2.gz LSWHMPAHGSPDEF-WBVHZDCISA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637652 493220144 /nfs/dbraw/zinc/22/01/44/493220144.db2.gz LSWHMPAHGSPDEF-WBVHZDCISA-N 2 2 366.506 0.155 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CC(C)(C)C)C2)CC1 ZINC000672638022 493220471 /nfs/dbraw/zinc/22/04/71/493220471.db2.gz QMYGQHJEOSJRHI-HNNXBMFYSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CC(C)(C)C)C2)CC1 ZINC000672638022 493220475 /nfs/dbraw/zinc/22/04/75/493220475.db2.gz QMYGQHJEOSJRHI-HNNXBMFYSA-N 2 2 368.522 0.138 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000672636642 493220654 /nfs/dbraw/zinc/22/06/54/493220654.db2.gz VPDXXGDPBVYQRV-QGZVFWFLSA-N 2 2 374.489 0.028 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000672636642 493220656 /nfs/dbraw/zinc/22/06/56/493220656.db2.gz VPDXXGDPBVYQRV-QGZVFWFLSA-N 2 2 374.489 0.028 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000666734531 493221383 /nfs/dbraw/zinc/22/13/83/493221383.db2.gz VGSCKICACFQFEF-UHFFFAOYSA-N 2 2 374.489 0.101 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000672638682 493222030 /nfs/dbraw/zinc/22/20/30/493222030.db2.gz HDHPJUQSCOKPSN-INIZCTEOSA-N 2 2 362.518 0.824 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000672638682 493222035 /nfs/dbraw/zinc/22/20/35/493222035.db2.gz HDHPJUQSCOKPSN-INIZCTEOSA-N 2 2 362.518 0.824 20 0 FCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640595 493223867 /nfs/dbraw/zinc/22/38/67/493223867.db2.gz YHACNNIKTNNFQE-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640595 493223871 /nfs/dbraw/zinc/22/38/71/493223871.db2.gz YHACNNIKTNNFQE-OWCLPIDISA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672639997 493224350 /nfs/dbraw/zinc/22/43/50/493224350.db2.gz RBXOYLOJJCNLJV-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672639997 493224353 /nfs/dbraw/zinc/22/43/53/493224353.db2.gz RBXOYLOJJCNLJV-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640286 493224518 /nfs/dbraw/zinc/22/45/18/493224518.db2.gz YXWVEDROZOUKDO-BZUAXINKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640286 493224520 /nfs/dbraw/zinc/22/45/20/493224520.db2.gz YXWVEDROZOUKDO-BZUAXINKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640084 493224689 /nfs/dbraw/zinc/22/46/89/493224689.db2.gz RJSJTXNAZASQSI-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000672640084 493224692 /nfs/dbraw/zinc/22/46/92/493224692.db2.gz RJSJTXNAZASQSI-HUUCEWRRSA-N 2 2 366.506 0.297 20 0 FCADLP COCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640372 493224896 /nfs/dbraw/zinc/22/48/96/493224896.db2.gz BUXAUYRUGDIPKG-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP COCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640372 493224898 /nfs/dbraw/zinc/22/48/98/493224898.db2.gz BUXAUYRUGDIPKG-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642110 493225738 /nfs/dbraw/zinc/22/57/38/493225738.db2.gz XXUDLPAODXJKNK-ZBFHGGJFSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642110 493225739 /nfs/dbraw/zinc/22/57/39/493225739.db2.gz XXUDLPAODXJKNK-ZBFHGGJFSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641390 493226456 /nfs/dbraw/zinc/22/64/56/493226456.db2.gz PWFNKZXDOKMARV-HNAYVOBHSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672641390 493226460 /nfs/dbraw/zinc/22/64/60/493226460.db2.gz PWFNKZXDOKMARV-HNAYVOBHSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000672643370 493227485 /nfs/dbraw/zinc/22/74/85/493227485.db2.gz WMUWLCFAFYYRCN-RBSFLKMASA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)S1 ZINC000672643370 493227487 /nfs/dbraw/zinc/22/74/87/493227487.db2.gz WMUWLCFAFYYRCN-RBSFLKMASA-N 2 2 368.547 0.624 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000659646968 493228703 /nfs/dbraw/zinc/22/87/03/493228703.db2.gz RAVWQRYPKHMTCB-CQSZACIVSA-N 2 2 365.453 0.491 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672688065 493232380 /nfs/dbraw/zinc/23/23/80/493232380.db2.gz GTLNRYJFWVXQCA-MRXNPFEDSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672688065 493232386 /nfs/dbraw/zinc/23/23/86/493232386.db2.gz GTLNRYJFWVXQCA-MRXNPFEDSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000672688065 493232390 /nfs/dbraw/zinc/23/23/90/493232390.db2.gz GTLNRYJFWVXQCA-MRXNPFEDSA-N 2 2 356.511 0.441 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672692350 493233898 /nfs/dbraw/zinc/23/38/98/493233898.db2.gz BAPBXUDXFNHSNG-BBWFWOEESA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000672692350 493233903 /nfs/dbraw/zinc/23/39/03/493233903.db2.gz BAPBXUDXFNHSNG-BBWFWOEESA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000666902418 493236660 /nfs/dbraw/zinc/23/66/60/493236660.db2.gz PZFCEQFGWCNKJJ-IRXDYDNUSA-N 2 2 360.458 0.843 20 0 FCADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000666950330 493241477 /nfs/dbraw/zinc/24/14/77/493241477.db2.gz PSCXEZNLXUNWFN-BRWVUGGUSA-N 2 2 364.490 0.090 20 0 FCADLP 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Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000672762564 493246328 /nfs/dbraw/zinc/24/63/28/493246328.db2.gz IAGXAGAGXZYSCP-GJZGRUSLSA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000672762564 493246332 /nfs/dbraw/zinc/24/63/32/493246332.db2.gz IAGXAGAGXZYSCP-GJZGRUSLSA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N(C)CC[NH+]3CCCC3)[nH+]c12 ZINC000672765323 493247332 /nfs/dbraw/zinc/24/73/32/493247332.db2.gz FKSKFZPIWOVCGH-UHFFFAOYSA-N 2 2 357.458 0.856 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)[nH+]c12 ZINC000672766679 493247597 /nfs/dbraw/zinc/24/75/97/493247597.db2.gz VBJGBYJNYGWNJH-DOTOQJQBSA-N 2 2 369.469 0.854 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)[nH+]c12 ZINC000672766679 493247602 /nfs/dbraw/zinc/24/76/02/493247602.db2.gz VBJGBYJNYGWNJH-DOTOQJQBSA-N 2 2 369.469 0.854 20 0 FCADLP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672788149 493250230 /nfs/dbraw/zinc/25/02/30/493250230.db2.gz MONMRZYGLCJWPR-KRWDZBQOSA-N 2 2 361.490 0.268 20 0 FCADLP CN(C(=O)C(=O)NCc1ccn(C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672788149 493250235 /nfs/dbraw/zinc/25/02/35/493250235.db2.gz MONMRZYGLCJWPR-KRWDZBQOSA-N 2 2 361.490 0.268 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000659715870 493268453 /nfs/dbraw/zinc/26/84/53/493268453.db2.gz RPNFXIUGSUWAHI-CABCVRRESA-N 2 2 359.474 0.802 20 0 FCADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000682133186 493272430 /nfs/dbraw/zinc/27/24/30/493272430.db2.gz SYVMNGDTTBFMJR-GOSISDBHSA-N 2 2 372.473 0.782 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682227601 493281024 /nfs/dbraw/zinc/28/10/24/493281024.db2.gz WBZNQMXMZHDVFH-OAHLLOKOSA-N 2 2 362.478 0.294 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000682227601 493281026 /nfs/dbraw/zinc/28/10/26/493281026.db2.gz WBZNQMXMZHDVFH-OAHLLOKOSA-N 2 2 362.478 0.294 20 0 FCADLP COc1ccncc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270458 493285049 /nfs/dbraw/zinc/28/50/49/493285049.db2.gz JKVWKKXAHXBKLW-ZDUSSCGKSA-N 2 2 361.446 0.313 20 0 FCADLP COc1ccncc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270458 493285050 /nfs/dbraw/zinc/28/50/50/493285050.db2.gz JKVWKKXAHXBKLW-ZDUSSCGKSA-N 2 2 361.446 0.313 20 0 FCADLP COc1ccc(CN2CC[C@@H]([NH+]3CCN(C(=O)C[NH+](C)C)CC3)C2=O)cc1 ZINC000659837441 493294225 /nfs/dbraw/zinc/29/42/25/493294225.db2.gz GQKKYVIUTLVUIG-GOSISDBHSA-N 2 2 374.485 0.502 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659876988 493296329 /nfs/dbraw/zinc/29/63/29/493296329.db2.gz ASLSIIYCBRRDJU-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659876983 493296339 /nfs/dbraw/zinc/29/63/39/493296339.db2.gz ASLSIIYCBRRDJU-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659876990 493296344 /nfs/dbraw/zinc/29/63/44/493296344.db2.gz ASLSIIYCBRRDJU-YESZJQIVSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000673219512 493304401 /nfs/dbraw/zinc/30/44/01/493304401.db2.gz KRHUFIHPSGNKPL-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000673219512 493304403 /nfs/dbraw/zinc/30/44/03/493304403.db2.gz KRHUFIHPSGNKPL-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000667993099 493312330 /nfs/dbraw/zinc/31/23/30/493312330.db2.gz OITFLTIHRXPKBX-UHFFFAOYSA-N 2 2 350.444 0.900 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000673301646 493315294 /nfs/dbraw/zinc/31/52/94/493315294.db2.gz LWUGHUROQJLCGJ-OWCLPIDISA-N 2 2 359.474 0.718 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000673301646 493315297 /nfs/dbraw/zinc/31/52/97/493315297.db2.gz LWUGHUROQJLCGJ-OWCLPIDISA-N 2 2 359.474 0.718 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673304185 493315352 /nfs/dbraw/zinc/31/53/52/493315352.db2.gz PSOWPUGQDCYFMZ-IRXDYDNUSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673304183 493315694 /nfs/dbraw/zinc/31/56/94/493315694.db2.gz PSOWPUGQDCYFMZ-DLBZAZTESA-N 2 2 371.485 0.863 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660121727 493327041 /nfs/dbraw/zinc/32/70/41/493327041.db2.gz NUFRRKAQUPHEBZ-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660121727 493327043 /nfs/dbraw/zinc/32/70/43/493327043.db2.gz NUFRRKAQUPHEBZ-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000660163245 493331648 /nfs/dbraw/zinc/33/16/48/493331648.db2.gz BMNBJDOVNBKJNB-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000660163245 493331650 /nfs/dbraw/zinc/33/16/50/493331650.db2.gz BMNBJDOVNBKJNB-ULQDDVLXSA-N 2 2 366.506 0.251 20 0 FCADLP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000668536023 493372248 /nfs/dbraw/zinc/37/22/48/493372248.db2.gz MNQMVUXYOZINIX-SFHVURJKSA-N 2 2 374.485 0.298 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000660694551 493373122 /nfs/dbraw/zinc/37/31/22/493373122.db2.gz DZCLQIWNQQHEAG-CVEARBPZSA-N 2 2 368.522 0.171 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979980 493379639 /nfs/dbraw/zinc/37/96/39/493379639.db2.gz KVDSSHBOEUOVEI-MAUKXSAKSA-N 3 2 369.579 0.891 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979980 493379640 /nfs/dbraw/zinc/37/96/40/493379640.db2.gz KVDSSHBOEUOVEI-MAUKXSAKSA-N 3 2 369.579 0.891 20 0 FCADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000668586131 493381077 /nfs/dbraw/zinc/38/10/77/493381077.db2.gz HDHLAALZYLKCAD-CABCVRRESA-N 2 2 368.503 0.799 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000660846158 493385004 /nfs/dbraw/zinc/38/50/04/493385004.db2.gz HAVWMSOINIYBSD-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000660846158 493385007 /nfs/dbraw/zinc/38/50/07/493385007.db2.gz HAVWMSOINIYBSD-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3sccc3S(N)(=O)=O)C2)CC1 ZINC000668640875 493388305 /nfs/dbraw/zinc/38/83/05/493388305.db2.gz YFPSDQNVZGVMND-LLVKDONJSA-N 2 2 372.516 0.294 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3sccc3S(N)(=O)=O)C2)CC1 ZINC000668640875 493388308 /nfs/dbraw/zinc/38/83/08/493388308.db2.gz YFPSDQNVZGVMND-LLVKDONJSA-N 2 2 372.516 0.294 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000684029888 493388424 /nfs/dbraw/zinc/38/84/24/493388424.db2.gz YFYUXHMMXYKSBA-AWEZNQCLSA-N 2 2 372.429 0.385 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668668724 493393629 /nfs/dbraw/zinc/39/36/29/493393629.db2.gz BRUZQWSYGHROCD-OAHLLOKOSA-N 2 2 357.458 0.651 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000668668724 493393632 /nfs/dbraw/zinc/39/36/32/493393632.db2.gz BRUZQWSYGHROCD-OAHLLOKOSA-N 2 2 357.458 0.651 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000668686560 493396485 /nfs/dbraw/zinc/39/64/85/493396485.db2.gz RGKSYNHYAVPVNP-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036592 493403971 /nfs/dbraw/zinc/40/39/71/493403971.db2.gz KLLUHMMHXKWJLY-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661036592 493403972 /nfs/dbraw/zinc/40/39/72/493403972.db2.gz KLLUHMMHXKWJLY-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668741534 493404436 /nfs/dbraw/zinc/40/44/36/493404436.db2.gz TXNLKKMDHUFNTR-QGZVFWFLSA-N 2 2 363.506 0.596 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668741534 493404438 /nfs/dbraw/zinc/40/44/38/493404438.db2.gz TXNLKKMDHUFNTR-QGZVFWFLSA-N 2 2 363.506 0.596 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000668745341 493404594 /nfs/dbraw/zinc/40/45/94/493404594.db2.gz QPQJPCHABIVLTF-MAUKXSAKSA-N 2 2 362.474 0.776 20 0 FCADLP CC(=O)N1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375528 493409259 /nfs/dbraw/zinc/40/92/59/493409259.db2.gz QENONWQMWDHNIF-DLBZAZTESA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)N1CCC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375528 493409261 /nfs/dbraw/zinc/40/92/61/493409261.db2.gz QENONWQMWDHNIF-DLBZAZTESA-N 2 2 365.522 0.713 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000684458221 493413653 /nfs/dbraw/zinc/41/36/53/493413653.db2.gz QVDQDSASKDUWQJ-OAHLLOKOSA-N 2 2 358.446 0.769 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](CO)[C@@H]3CCOC3)C2)CC1 ZINC000684660994 493427212 /nfs/dbraw/zinc/42/72/12/493427212.db2.gz RKQHDOTVKHEUQO-PMPSAXMXSA-N 2 2 354.495 0.099 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](CO)[C@@H]3CCOC3)C2)CC1 ZINC000684660994 493427215 /nfs/dbraw/zinc/42/72/15/493427215.db2.gz RKQHDOTVKHEUQO-PMPSAXMXSA-N 2 2 354.495 0.099 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000685055365 493445821 /nfs/dbraw/zinc/44/58/21/493445821.db2.gz GEUXXMHSSHTVPY-UHFFFAOYSA-N 2 2 361.421 0.896 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(O)(CO)CC2)CC1 ZINC000661618190 493452916 /nfs/dbraw/zinc/45/29/16/493452916.db2.gz XOTYMSWDQHIMNF-UHFFFAOYSA-N 2 2 361.486 0.458 20 0 FCADLP Cc1[nH+]c(NC[C@@](C)(O)C[NH+](C)C)nc(NC[C@@](C)(O)C[NH+](C)C)c1F ZINC000685273084 493470748 /nfs/dbraw/zinc/47/07/48/493470748.db2.gz PPGSDGCEVRODFX-IAGOWNOFSA-N 3 2 372.489 0.373 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685277272 493471812 /nfs/dbraw/zinc/47/18/12/493471812.db2.gz MQNYQVWAAGRDQM-CVEARBPZSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000685277272 493471815 /nfs/dbraw/zinc/47/18/15/493471815.db2.gz MQNYQVWAAGRDQM-CVEARBPZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000669203351 493475910 /nfs/dbraw/zinc/47/59/10/493475910.db2.gz LONQPGXOUVLHLS-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954778 493479750 /nfs/dbraw/zinc/47/97/50/493479750.db2.gz ZJWANIVPJCAHSX-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954778 493479752 /nfs/dbraw/zinc/47/97/52/493479752.db2.gz ZJWANIVPJCAHSX-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP COc1cccc(CC(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662252978 493500073 /nfs/dbraw/zinc/50/00/73/493500073.db2.gz FLCMQQVPBSILBT-GOSISDBHSA-N 2 2 359.470 0.903 20 0 FCADLP O=C(COc1ccc(F)cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253471 493500521 /nfs/dbraw/zinc/50/05/21/493500521.db2.gz YHSMEKLVWRJEEI-KRWDZBQOSA-N 2 2 363.433 0.870 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264079 493502003 /nfs/dbraw/zinc/50/20/03/493502003.db2.gz PSKJPYQBYFEGRJ-QZTJIDSGSA-N 3 2 352.523 0.234 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662264079 493502005 /nfs/dbraw/zinc/50/20/05/493502005.db2.gz PSKJPYQBYFEGRJ-QZTJIDSGSA-N 3 2 352.523 0.234 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669405571 493502290 /nfs/dbraw/zinc/50/22/90/493502290.db2.gz VHHUPPISYISJAJ-YQQAZPJKSA-N 2 2 354.520 0.588 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000662285689 493502559 /nfs/dbraw/zinc/50/25/59/493502559.db2.gz NOFQOGIVCFYQJJ-UHFFFAOYSA-N 2 2 374.485 0.568 20 0 FCADLP COc1ccc(CCNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1OC ZINC000662286249 493502684 /nfs/dbraw/zinc/50/26/84/493502684.db2.gz OVVBBELSHZGRQV-UHFFFAOYSA-N 2 2 351.447 0.067 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1ccccc1Cn1cccn1 ZINC000662286730 493502730 /nfs/dbraw/zinc/50/27/30/493502730.db2.gz KENUXXHOQXYVRS-UHFFFAOYSA-N 2 2 357.458 0.252 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H](O)CO ZINC000662288946 493503297 /nfs/dbraw/zinc/50/32/97/493503297.db2.gz WAZQIZXACAQRSD-CYBMUJFWSA-N 2 2 360.252 0.392 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H](O)CO ZINC000662288946 493503300 /nfs/dbraw/zinc/50/33/00/493503300.db2.gz WAZQIZXACAQRSD-CYBMUJFWSA-N 2 2 360.252 0.392 20 0 FCADLP COc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000675782256 493503671 /nfs/dbraw/zinc/50/36/71/493503671.db2.gz PJHVTRDGVVHZRT-ZDUSSCGKSA-N 2 2 369.487 0.523 20 0 FCADLP Cn1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000685736196 493511410 /nfs/dbraw/zinc/51/14/10/493511410.db2.gz SIIMISWNGYJYKY-CQSZACIVSA-N 2 2 374.489 0.521 20 0 FCADLP Cn1nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000685736196 493511412 /nfs/dbraw/zinc/51/14/12/493511412.db2.gz SIIMISWNGYJYKY-CQSZACIVSA-N 2 2 374.489 0.521 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662497760 493521028 /nfs/dbraw/zinc/52/10/28/493521028.db2.gz XFJSNPPYPZSSNS-CABCVRRESA-N 2 2 374.489 0.255 20 0 FCADLP C[N@H+](C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911342 493522411 /nfs/dbraw/zinc/52/24/11/493522411.db2.gz HEMWBUFNQGBEMC-MSOLQXFVSA-N 2 2 372.473 0.702 20 0 FCADLP C[N@@H+](C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911342 493522417 /nfs/dbraw/zinc/52/24/17/493522417.db2.gz HEMWBUFNQGBEMC-MSOLQXFVSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911342 493522421 /nfs/dbraw/zinc/52/24/21/493522421.db2.gz HEMWBUFNQGBEMC-MSOLQXFVSA-N 2 2 372.473 0.702 20 0 FCADLP C[NH+](C[C@@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)C1CC1 ZINC000685911342 493522425 /nfs/dbraw/zinc/52/24/25/493522425.db2.gz HEMWBUFNQGBEMC-MSOLQXFVSA-N 2 2 372.473 0.702 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631779 493529007 /nfs/dbraw/zinc/52/90/07/493529007.db2.gz VJZAURVAMVZCSN-OLZOCXBDSA-N 2 2 350.467 0.350 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631779 493529009 /nfs/dbraw/zinc/52/90/09/493529009.db2.gz VJZAURVAMVZCSN-OLZOCXBDSA-N 2 2 350.467 0.350 20 0 FCADLP CN(C[C@H]1COCCO1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000662657107 493530138 /nfs/dbraw/zinc/53/01/38/493530138.db2.gz JJPDBKSONZHCDZ-ROUUACIJSA-N 2 2 358.442 0.675 20 0 FCADLP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662659128 493530415 /nfs/dbraw/zinc/53/04/15/493530415.db2.gz PJMVBQVSCYFKTP-OAHLLOKOSA-N 2 2 355.446 0.950 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000662661975 493530432 /nfs/dbraw/zinc/53/04/32/493530432.db2.gz KSFMSQBTWHEPRO-YJBOKZPZSA-N 2 2 361.442 0.466 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1F ZINC000662666081 493530776 /nfs/dbraw/zinc/53/07/76/493530776.db2.gz NKHPQVINQFFINB-YOEHRIQHSA-N 2 2 351.422 0.842 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cc1F ZINC000662666079 493530805 /nfs/dbraw/zinc/53/08/05/493530805.db2.gz NKHPQVINQFFINB-WMLDXEAASA-N 2 2 351.422 0.842 20 0 FCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662698885 493532423 /nfs/dbraw/zinc/53/24/23/493532423.db2.gz NNHLLDVDBUAITH-QZTJIDSGSA-N 2 2 363.458 0.378 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662694887 493532508 /nfs/dbraw/zinc/53/25/08/493532508.db2.gz CPKXIPFOFMUYPJ-KBPBESRZSA-N 2 2 367.437 0.853 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246425 493534781 /nfs/dbraw/zinc/53/47/81/493534781.db2.gz UBOBXMCZYDUMHZ-ZMSDIMECSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246425 493534783 /nfs/dbraw/zinc/53/47/83/493534783.db2.gz UBOBXMCZYDUMHZ-ZMSDIMECSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676246425 493534784 /nfs/dbraw/zinc/53/47/84/493534784.db2.gz UBOBXMCZYDUMHZ-ZMSDIMECSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246425 493534786 /nfs/dbraw/zinc/53/47/86/493534786.db2.gz UBOBXMCZYDUMHZ-ZMSDIMECSA-N 3 2 353.511 0.173 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733536 493536263 /nfs/dbraw/zinc/53/62/63/493536263.db2.gz LKYDCSTYOYQWPN-RHSMWYFYSA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733536 493536264 /nfs/dbraw/zinc/53/62/64/493536264.db2.gz LKYDCSTYOYQWPN-RHSMWYFYSA-N 2 2 368.428 0.487 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000662752650 493538150 /nfs/dbraw/zinc/53/81/50/493538150.db2.gz SONLELQPHLCTSG-HSMVNMDESA-N 2 2 351.451 0.391 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676278607 493539118 /nfs/dbraw/zinc/53/91/18/493539118.db2.gz IYLRFQJTPYTETJ-GXTWGEPZSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278607 493539120 /nfs/dbraw/zinc/53/91/20/493539120.db2.gz IYLRFQJTPYTETJ-GXTWGEPZSA-N 2 2 358.402 0.041 20 0 FCADLP O=C(N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@@]1(O)CCC[NH2+]C1 ZINC000662810384 493543783 /nfs/dbraw/zinc/54/37/83/493543783.db2.gz QSLGMGYAUOQWKR-DNVCBOLYSA-N 2 2 360.458 0.776 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662831875 493545274 /nfs/dbraw/zinc/54/52/74/493545274.db2.gz GROBDYLXFLCGNZ-UHFFFAOYSA-N 2 2 353.488 0.815 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849751 493547096 /nfs/dbraw/zinc/54/70/96/493547096.db2.gz LDNFKRMRLPCFAO-AOIWGVFYSA-N 2 2 374.485 0.198 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849751 493547098 /nfs/dbraw/zinc/54/70/98/493547098.db2.gz LDNFKRMRLPCFAO-AOIWGVFYSA-N 2 2 374.485 0.198 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000662923216 493554035 /nfs/dbraw/zinc/55/40/35/493554035.db2.gz REPRRGYZIXZEDW-UHFFFAOYSA-N 2 2 362.478 0.364 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662929700 493554900 /nfs/dbraw/zinc/55/49/00/493554900.db2.gz FTMYVGALVSAGGS-UHFFFAOYSA-N 2 2 362.474 0.535 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662932585 493556317 /nfs/dbraw/zinc/55/63/17/493556317.db2.gz LNMHZWSWLVAGLS-XRTORIHISA-N 2 2 356.470 0.669 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662932585 493556318 /nfs/dbraw/zinc/55/63/18/493556318.db2.gz LNMHZWSWLVAGLS-XRTORIHISA-N 2 2 356.470 0.669 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676506776 493556415 /nfs/dbraw/zinc/55/64/15/493556415.db2.gz BVYQYZHSUBURRU-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676506776 493556417 /nfs/dbraw/zinc/55/64/17/493556417.db2.gz BVYQYZHSUBURRU-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676506776 493556419 /nfs/dbraw/zinc/55/64/19/493556419.db2.gz BVYQYZHSUBURRU-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676506776 493556422 /nfs/dbraw/zinc/55/64/22/493556422.db2.gz BVYQYZHSUBURRU-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP O=C(C[N@H+]1CC[C@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574523 493560543 /nfs/dbraw/zinc/56/05/43/493560543.db2.gz PPTYMCKDLHPUQG-ZBFHGGJFSA-N 2 2 353.488 0.067 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000676574523 493560545 /nfs/dbraw/zinc/56/05/45/493560545.db2.gz PPTYMCKDLHPUQG-ZBFHGGJFSA-N 2 2 353.488 0.067 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccccn3)C2)CC1 ZINC000670422064 493564490 /nfs/dbraw/zinc/56/44/90/493564490.db2.gz AJROAANRHGCEIR-INIZCTEOSA-N 2 2 359.474 0.025 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccccn3)C2)CC1 ZINC000670422064 493564491 /nfs/dbraw/zinc/56/44/91/493564491.db2.gz AJROAANRHGCEIR-INIZCTEOSA-N 2 2 359.474 0.025 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](C[NH3+])C1 ZINC000662988313 493565086 /nfs/dbraw/zinc/56/50/86/493565086.db2.gz RXUIAGKYHLPTLG-CABCVRRESA-N 2 2 364.515 0.978 20 0 FCADLP Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670425851 493565337 /nfs/dbraw/zinc/56/53/37/493565337.db2.gz QQUMLWGBFXFUCB-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000670425851 493565338 /nfs/dbraw/zinc/56/53/38/493565338.db2.gz QQUMLWGBFXFUCB-ZDUSSCGKSA-N 2 2 365.503 0.352 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670502263 493574957 /nfs/dbraw/zinc/57/49/57/493574957.db2.gz OWFZFJXCJQWZIZ-QGZVFWFLSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)OCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670502263 493574959 /nfs/dbraw/zinc/57/49/59/493574959.db2.gz OWFZFJXCJQWZIZ-QGZVFWFLSA-N 2 2 368.522 0.545 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000663217640 493577737 /nfs/dbraw/zinc/57/77/37/493577737.db2.gz OSZPZHKIZCBORB-KHYOSLBOSA-N 3 2 359.474 0.127 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537306 493578126 /nfs/dbraw/zinc/57/81/26/493578126.db2.gz XLKDJDLTUYTOCD-OAHLLOKOSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547182 493579924 /nfs/dbraw/zinc/57/99/24/493579924.db2.gz XQAWRCPOISMIGB-NVXWUHKLSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670547182 493579926 /nfs/dbraw/zinc/57/99/26/493579926.db2.gz XQAWRCPOISMIGB-NVXWUHKLSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000663304827 493583875 /nfs/dbraw/zinc/58/38/75/493583875.db2.gz STQSJADXIUXVLN-CXAGYDPISA-N 2 2 360.458 0.955 20 0 FCADLP C[C@@H]1C[NH+](CCNc2cnc(NCC[N@@H+]3CCO[C@@H](C)C3)cn2)CCO1 ZINC000663518598 493593739 /nfs/dbraw/zinc/59/37/39/493593739.db2.gz TWMUCMYQEYRXAY-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1C[NH+](CCNc2cnc(NCC[N@H+]3CCO[C@@H](C)C3)cn2)CCO1 ZINC000663518598 493593741 /nfs/dbraw/zinc/59/37/41/493593741.db2.gz TWMUCMYQEYRXAY-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1C[N@H+](CCNc2cnc(NCC[NH+]3CCO[C@@H](C)C3)cn2)CCO1 ZINC000663518598 493593742 /nfs/dbraw/zinc/59/37/42/493593742.db2.gz TWMUCMYQEYRXAY-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1C[N@@H+](CCNc2cnc(NCC[NH+]3CCO[C@@H](C)C3)cn2)CCO1 ZINC000663518598 493593744 /nfs/dbraw/zinc/59/37/44/493593744.db2.gz TWMUCMYQEYRXAY-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNc1cnc(NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000663545974 493596118 /nfs/dbraw/zinc/59/61/18/493596118.db2.gz DIJDXVJNAAXZLZ-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNc1cnc(NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000663545974 493596119 /nfs/dbraw/zinc/59/61/19/493596119.db2.gz DIJDXVJNAAXZLZ-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNc1cnc(NCC[NH+]2CCOC[C@@H]2C)cn1 ZINC000663545974 493596120 /nfs/dbraw/zinc/59/61/20/493596120.db2.gz DIJDXVJNAAXZLZ-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNc1cnc(NCC[NH+]2CCOC[C@@H]2C)cn1 ZINC000663545974 493596121 /nfs/dbraw/zinc/59/61/21/493596121.db2.gz DIJDXVJNAAXZLZ-IYBDPMFKSA-N 2 2 364.494 0.742 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813281 493599701 /nfs/dbraw/zinc/59/97/01/493599701.db2.gz GJEZDKIXVRJINX-IAGOWNOFSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000670813281 493599703 /nfs/dbraw/zinc/59/97/03/493599703.db2.gz GJEZDKIXVRJINX-IAGOWNOFSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000670814398 493599715 /nfs/dbraw/zinc/59/97/15/493599715.db2.gz YZXOOMVTDZJQOI-DOTOQJQBSA-N 2 2 368.522 0.306 20 0 FCADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000677416207 493600431 /nfs/dbraw/zinc/60/04/31/493600431.db2.gz IZGAUZQFIAODCG-CQSZACIVSA-N 2 2 353.488 0.905 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000670861491 493607599 /nfs/dbraw/zinc/60/75/99/493607599.db2.gz PJLSDXKHPRYHIV-AWEZNQCLSA-N 2 2 364.515 0.957 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000670861491 493607601 /nfs/dbraw/zinc/60/76/01/493607601.db2.gz PJLSDXKHPRYHIV-AWEZNQCLSA-N 2 2 364.515 0.957 20 0 FCADLP COCC1(O)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000677571360 493608869 /nfs/dbraw/zinc/60/88/69/493608869.db2.gz BYOUDFFBFYTNBK-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP COCC1(O)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000677571360 493608871 /nfs/dbraw/zinc/60/88/71/493608871.db2.gz BYOUDFFBFYTNBK-HNNXBMFYSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1c(NC[C@](C)(O)C[NH+](C)C)nc[nH+]c1NC[C@](C)(O)C[NH+](C)C ZINC000663741721 493615802 /nfs/dbraw/zinc/61/58/02/493615802.db2.gz OJBGFPNFISNZAO-IRXDYDNUSA-N 3 2 354.499 0.234 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000670983960 493620197 /nfs/dbraw/zinc/62/01/97/493620197.db2.gz FOGFDMVKKJTILH-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000670983960 493620200 /nfs/dbraw/zinc/62/02/00/493620200.db2.gz FOGFDMVKKJTILH-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000663970531 493628369 /nfs/dbraw/zinc/62/83/69/493628369.db2.gz OTTMGNDQZSHUFT-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000663970531 493628370 /nfs/dbraw/zinc/62/83/70/493628370.db2.gz OTTMGNDQZSHUFT-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663970531 493628372 /nfs/dbraw/zinc/62/83/72/493628372.db2.gz OTTMGNDQZSHUFT-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663970531 493628374 /nfs/dbraw/zinc/62/83/74/493628374.db2.gz OTTMGNDQZSHUFT-INIZCTEOSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000671105670 493635083 /nfs/dbraw/zinc/63/50/83/493635083.db2.gz NSPBQDLABYNVKW-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000671105670 493635085 /nfs/dbraw/zinc/63/50/85/493635085.db2.gz NSPBQDLABYNVKW-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671107088 493635605 /nfs/dbraw/zinc/63/56/05/493635605.db2.gz FZMWZIALOFCHOP-OWCLPIDISA-N 2 2 357.458 0.520 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671107088 493635606 /nfs/dbraw/zinc/63/56/06/493635606.db2.gz FZMWZIALOFCHOP-OWCLPIDISA-N 2 2 357.458 0.520 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671134644 493642078 /nfs/dbraw/zinc/64/20/78/493642078.db2.gz GFMDFVSDDGGXHF-HNNXBMFYSA-N 2 2 351.451 0.131 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671134644 493642080 /nfs/dbraw/zinc/64/20/80/493642080.db2.gz GFMDFVSDDGGXHF-HNNXBMFYSA-N 2 2 351.451 0.131 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000664181567 493642650 /nfs/dbraw/zinc/64/26/50/493642650.db2.gz KNTIRTRQWRIYRN-ZIAGYGMSSA-N 2 2 353.467 0.500 20 0 FCADLP C[C@@H](CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)[NH+](C)C ZINC000664244580 493647312 /nfs/dbraw/zinc/64/73/12/493647312.db2.gz RPVGAARDOMNVON-AWEZNQCLSA-N 2 2 355.508 0.770 20 0 FCADLP O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000678625770 493652305 /nfs/dbraw/zinc/65/23/05/493652305.db2.gz CUOZQKBECGKOAE-HXUWFJFHSA-N 2 2 372.513 0.737 20 0 FCADLP Cc1nccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671361340 493659802 /nfs/dbraw/zinc/65/98/02/493659802.db2.gz AVPOUXASAOEIMU-QGZVFWFLSA-N 2 2 374.489 0.028 20 0 FCADLP Cc1nccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671361340 493659804 /nfs/dbraw/zinc/65/98/04/493659804.db2.gz AVPOUXASAOEIMU-QGZVFWFLSA-N 2 2 374.489 0.028 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671395048 493664600 /nfs/dbraw/zinc/66/46/00/493664600.db2.gz RQNWPIKHZDSPMX-GOSISDBHSA-N 2 2 356.470 0.719 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671395048 493664602 /nfs/dbraw/zinc/66/46/02/493664602.db2.gz RQNWPIKHZDSPMX-GOSISDBHSA-N 2 2 356.470 0.719 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+]1C ZINC000671398386 493665081 /nfs/dbraw/zinc/66/50/81/493665081.db2.gz HFMYFQHMWCHKHH-GOSISDBHSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+]1C ZINC000671398386 493665082 /nfs/dbraw/zinc/66/50/82/493665082.db2.gz HFMYFQHMWCHKHH-GOSISDBHSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000671398096 493665550 /nfs/dbraw/zinc/66/55/50/493665550.db2.gz BRVVELLVEZYVFP-HNNXBMFYSA-N 2 2 356.470 0.885 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000671398096 493665552 /nfs/dbraw/zinc/66/55/52/493665552.db2.gz BRVVELLVEZYVFP-HNNXBMFYSA-N 2 2 356.470 0.885 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH+](C(C)(C)CO)CC3)cc2)CC1 ZINC000679315084 493675118 /nfs/dbraw/zinc/67/51/18/493675118.db2.gz OOHUEJRXDWGAFS-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[NH+](C(C)(C)CO)CC3)cc2)CC1 ZINC000679315084 493675123 /nfs/dbraw/zinc/67/51/23/493675123.db2.gz OOHUEJRXDWGAFS-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000679379797 493678005 /nfs/dbraw/zinc/67/80/05/493678005.db2.gz PRJFRPPDCBEUPO-UHFFFAOYSA-N 2 2 368.503 0.143 20 0 FCADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000679379797 493678006 /nfs/dbraw/zinc/67/80/06/493678006.db2.gz PRJFRPPDCBEUPO-UHFFFAOYSA-N 2 2 368.503 0.143 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000679509884 493684857 /nfs/dbraw/zinc/68/48/57/493684857.db2.gz CDWDNADTPHBBEO-JSGCOSHPSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000679509884 493684859 /nfs/dbraw/zinc/68/48/59/493684859.db2.gz CDWDNADTPHBBEO-JSGCOSHPSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H]1C[N@H+](C)CCO1 ZINC000679509888 493685469 /nfs/dbraw/zinc/68/54/69/493685469.db2.gz CDWDNADTPHBBEO-TZMCWYRMSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000679509888 493685472 /nfs/dbraw/zinc/68/54/72/493685472.db2.gz CDWDNADTPHBBEO-TZMCWYRMSA-N 2 2 358.402 0.041 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)C3CCOCC3)C2)CC1 ZINC000679869876 493698467 /nfs/dbraw/zinc/69/84/67/493698467.db2.gz JWZHOUZXNVCQMN-RDJZCZTQSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)C3CCOCC3)C2)CC1 ZINC000679869876 493698470 /nfs/dbraw/zinc/69/84/70/493698470.db2.gz JWZHOUZXNVCQMN-RDJZCZTQSA-N 2 2 354.495 0.242 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000671676895 493702498 /nfs/dbraw/zinc/70/24/98/493702498.db2.gz ZCJGBFBIRQUGEV-UHFFFAOYSA-N 2 2 373.545 0.905 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960469 493718582 /nfs/dbraw/zinc/71/85/82/493718582.db2.gz WSBZCKAPXWKUOD-MAUKXSAKSA-N 2 2 374.485 0.374 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000671960469 493718583 /nfs/dbraw/zinc/71/85/83/493718583.db2.gz WSBZCKAPXWKUOD-MAUKXSAKSA-N 2 2 374.485 0.374 20 0 FCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672030292 493726232 /nfs/dbraw/zinc/72/62/32/493726232.db2.gz XDHSTHFEQIDKAG-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672030292 493726235 /nfs/dbraw/zinc/72/62/35/493726235.db2.gz XDHSTHFEQIDKAG-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP COCC[NH+](CCOC)C1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665719119 493731337 /nfs/dbraw/zinc/73/13/37/493731337.db2.gz BONUQCINQLDYNQ-UHFFFAOYSA-N 2 2 351.451 0.845 20 0 FCADLP COCC[NH+](CCOC)C1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665719119 493731338 /nfs/dbraw/zinc/73/13/38/493731338.db2.gz BONUQCINQLDYNQ-UHFFFAOYSA-N 2 2 351.451 0.845 20 0 FCADLP COCC(COC)[NH+]1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000665742754 493732556 /nfs/dbraw/zinc/73/25/56/493732556.db2.gz BQLAGDUYGKWUJA-UHFFFAOYSA-N 2 2 351.451 0.097 20 0 FCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)CN1CC[NH+](C)CC1 ZINC000672160863 493738998 /nfs/dbraw/zinc/73/89/98/493738998.db2.gz FJDJHHOHKYAQAR-UHFFFAOYSA-N 2 2 373.545 0.510 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000681189033 493749437 /nfs/dbraw/zinc/74/94/37/493749437.db2.gz ZAZCMJZALVRZOM-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000681189033 493749438 /nfs/dbraw/zinc/74/94/38/493749438.db2.gz ZAZCMJZALVRZOM-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000681189033 493749440 /nfs/dbraw/zinc/74/94/40/493749440.db2.gz ZAZCMJZALVRZOM-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000681189033 493749443 /nfs/dbraw/zinc/74/94/43/493749443.db2.gz ZAZCMJZALVRZOM-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP 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HWCZVPDJPBYBAZ-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441401556 534695438 /nfs/dbraw/zinc/69/54/38/534695438.db2.gz HWCZVPDJPBYBAZ-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441401556 534695442 /nfs/dbraw/zinc/69/54/42/534695442.db2.gz HWCZVPDJPBYBAZ-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410701451 527843193 /nfs/dbraw/zinc/84/31/93/527843193.db2.gz VGXGMGGIBKGAOV-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410701451 527843202 /nfs/dbraw/zinc/84/32/02/527843202.db2.gz VGXGMGGIBKGAOV-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410701451 527843205 /nfs/dbraw/zinc/84/32/05/527843205.db2.gz VGXGMGGIBKGAOV-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410701451 527843212 /nfs/dbraw/zinc/84/32/12/527843212.db2.gz VGXGMGGIBKGAOV-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000410719654 527954564 /nfs/dbraw/zinc/95/45/64/527954564.db2.gz ZIUIMRIBOVIAMH-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000410719654 527954567 /nfs/dbraw/zinc/95/45/67/527954567.db2.gz ZIUIMRIBOVIAMH-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410776809 528101123 /nfs/dbraw/zinc/10/11/23/528101123.db2.gz SBEVLKAOROLTEH-QGZVFWFLSA-N 2 2 368.522 0.500 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)CC[N@@H+]1C ZINC000410699330 528718646 /nfs/dbraw/zinc/71/86/46/528718646.db2.gz POWZDFVYVCYXRO-ZACQAIPSSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)CC[N@H+]1C ZINC000410699330 528718649 /nfs/dbraw/zinc/71/86/49/528718649.db2.gz POWZDFVYVCYXRO-ZACQAIPSSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)CC[NH+]1C ZINC000410699330 528718652 /nfs/dbraw/zinc/71/86/52/528718652.db2.gz POWZDFVYVCYXRO-ZACQAIPSSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)CC[NH+]1C ZINC000410699330 528718655 /nfs/dbraw/zinc/71/86/55/528718655.db2.gz POWZDFVYVCYXRO-ZACQAIPSSA-N 2 2 350.507 0.870 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410499476 529113276 /nfs/dbraw/zinc/11/32/76/529113276.db2.gz SOROOBCKQGYSJC-HZPDHXFCSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410499476 529113281 /nfs/dbraw/zinc/11/32/81/529113281.db2.gz SOROOBCKQGYSJC-HZPDHXFCSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410677151 529120092 /nfs/dbraw/zinc/12/00/92/529120092.db2.gz QSIFXIIRHBDZAN-RRFJBIMHSA-N 2 2 362.478 0.023 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967768 529132710 /nfs/dbraw/zinc/13/27/10/529132710.db2.gz NNFYQJUOADPAQX-JXFKEZNVSA-N 2 2 358.486 0.668 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967768 529132712 /nfs/dbraw/zinc/13/27/12/529132712.db2.gz NNFYQJUOADPAQX-JXFKEZNVSA-N 2 2 358.486 0.668 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000419388139 535084373 /nfs/dbraw/zinc/08/43/73/535084373.db2.gz GISOXPUSOYUBTO-UHFFFAOYSA-N 2 2 368.428 0.650 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000419388139 535084377 /nfs/dbraw/zinc/08/43/77/535084377.db2.gz GISOXPUSOYUBTO-UHFFFAOYSA-N 2 2 368.428 0.650 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@@H+]1CCOC ZINC000423532119 535425495 /nfs/dbraw/zinc/42/54/95/535425495.db2.gz USEHJNVLJIGMOD-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[N@H+]1CCOC ZINC000423532119 535425496 /nfs/dbraw/zinc/42/54/96/535425496.db2.gz USEHJNVLJIGMOD-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425402005 535558668 /nfs/dbraw/zinc/55/86/68/535558668.db2.gz MNJSHKGALMOKQK-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000423701490 535603331 /nfs/dbraw/zinc/60/33/31/535603331.db2.gz WQWVQOKYTBSIJN-KFWWJZLASA-N 2 2 362.478 0.343 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000415194589 535853372 /nfs/dbraw/zinc/85/33/72/535853372.db2.gz ZAXDMGOBWFOFQP-QGZVFWFLSA-N 2 2 360.458 0.498 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000415194589 535853380 /nfs/dbraw/zinc/85/33/80/535853380.db2.gz ZAXDMGOBWFOFQP-QGZVFWFLSA-N 2 2 360.458 0.498 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000415194587 536144109 /nfs/dbraw/zinc/14/41/09/536144109.db2.gz ZAXDMGOBWFOFQP-KRWDZBQOSA-N 2 2 360.458 0.498 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000415194587 536144116 /nfs/dbraw/zinc/14/41/16/536144116.db2.gz ZAXDMGOBWFOFQP-KRWDZBQOSA-N 2 2 360.458 0.498 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415355296 536356154 /nfs/dbraw/zinc/35/61/54/536356154.db2.gz GCQZJZZPWPSCMV-GOSISDBHSA-N 2 2 373.501 0.583 20 0 FCADLP C[NH2+][C@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)c1cnn(C)c1 ZINC000423927864 536380199 /nfs/dbraw/zinc/38/01/99/536380199.db2.gz JRKHSKBROQQPJX-ZBFHGGJFSA-N 2 2 358.446 0.822 20 0 FCADLP C[NH+]1CCN(CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000081935185 546571222 /nfs/dbraw/zinc/57/12/22/546571222.db2.gz YEVFKTUMQYWXLU-UHFFFAOYSA-N 2 2 352.523 0.633 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1C ZINC000083738214 546576890 /nfs/dbraw/zinc/57/68/90/546576890.db2.gz FXJMAXXAKNFDRG-OAHLLOKOSA-N 2 2 350.467 0.492 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000592472031 546651327 /nfs/dbraw/zinc/65/13/27/546651327.db2.gz DQUKHGRQBIDYHW-UHFFFAOYSA-N 2 2 369.491 0.024 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000592472031 546651330 /nfs/dbraw/zinc/65/13/30/546651330.db2.gz DQUKHGRQBIDYHW-UHFFFAOYSA-N 2 2 369.491 0.024 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1=O ZINC000593908617 546767541 /nfs/dbraw/zinc/76/75/41/546767541.db2.gz BHFGKDPNCMFKHE-VXGBXAGGSA-N 2 2 368.459 0.035 20 0 FCADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000332790098 546854687 /nfs/dbraw/zinc/85/46/87/546854687.db2.gz UJBMWPHKOVDDCF-JKSUJKDBSA-N 2 2 357.520 0.013 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000332979680 546859302 /nfs/dbraw/zinc/85/93/02/546859302.db2.gz KXRYRXAYZIRZBI-PVAVHDDUSA-N 2 2 354.495 0.384 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940311 546872589 /nfs/dbraw/zinc/87/25/89/546872589.db2.gz STGFSVXQZJLKCR-ZBFHGGJFSA-N 2 2 368.503 0.052 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940311 546872592 /nfs/dbraw/zinc/87/25/92/546872592.db2.gz STGFSVXQZJLKCR-ZBFHGGJFSA-N 2 2 368.503 0.052 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000248764037 546887758 /nfs/dbraw/zinc/88/77/58/546887758.db2.gz NHZAYHMKPXMRGD-DOTOQJQBSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000248764037 546887764 /nfs/dbraw/zinc/88/77/64/546887764.db2.gz NHZAYHMKPXMRGD-DOTOQJQBSA-N 2 2 350.507 0.777 20 0 FCADLP CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377636951 546901064 /nfs/dbraw/zinc/90/10/64/546901064.db2.gz MJQBJSDXCCSIAM-JKSUJKDBSA-N 2 2 353.511 0.840 20 0 FCADLP CCCC[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377636951 546901067 /nfs/dbraw/zinc/90/10/67/546901067.db2.gz MJQBJSDXCCSIAM-JKSUJKDBSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000152573028 546920048 /nfs/dbraw/zinc/92/00/48/546920048.db2.gz CZNWBSBOSMFXQQ-DOTOQJQBSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000152573028 546920053 /nfs/dbraw/zinc/92/00/53/546920053.db2.gz CZNWBSBOSMFXQQ-DOTOQJQBSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152573028 546920056 /nfs/dbraw/zinc/92/00/56/546920056.db2.gz CZNWBSBOSMFXQQ-DOTOQJQBSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152573028 546920061 /nfs/dbraw/zinc/92/00/61/546920061.db2.gz CZNWBSBOSMFXQQ-DOTOQJQBSA-N 3 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000152644173 546920369 /nfs/dbraw/zinc/92/03/69/546920369.db2.gz ZEDIQESSVCKHBR-BBWFWOEESA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152644173 546920373 /nfs/dbraw/zinc/92/03/73/546920373.db2.gz ZEDIQESSVCKHBR-BBWFWOEESA-N 2 2 354.495 0.459 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000459989257 546930547 /nfs/dbraw/zinc/93/05/47/546930547.db2.gz KDCRIOIYWVHIGB-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000459989257 546930551 /nfs/dbraw/zinc/93/05/51/546930551.db2.gz KDCRIOIYWVHIGB-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[S@](=O)C2)([NH+]2CCCCC2)CC1 ZINC000475114683 546937684 /nfs/dbraw/zinc/93/76/84/546937684.db2.gz WWZBKXHTCJXRME-MYYSRTQBSA-N 2 2 356.536 0.757 20 0 FCADLP CN(C)C(=O)N1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000550650474 547094356 /nfs/dbraw/zinc/09/43/56/547094356.db2.gz GSMAAYBWSRBDTE-UHFFFAOYSA-N 2 2 354.499 0.021 20 0 FCADLP CCC(CC)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000552309679 547200464 /nfs/dbraw/zinc/20/04/64/547200464.db2.gz RNLGWPVLCJMIBV-ZBFHGGJFSA-N 2 2 356.511 0.306 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCS3)CC2)CC1 ZINC000552520996 547214338 /nfs/dbraw/zinc/21/43/38/547214338.db2.gz PMNCYRURFVQIQX-MRXNPFEDSA-N 2 2 368.547 0.673 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000552906456 547239586 /nfs/dbraw/zinc/23/95/86/547239586.db2.gz FFVGJFAYSGQQRN-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000552906456 547239592 /nfs/dbraw/zinc/23/95/92/547239592.db2.gz FFVGJFAYSGQQRN-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000552906456 547239594 /nfs/dbraw/zinc/23/95/94/547239594.db2.gz FFVGJFAYSGQQRN-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000552906456 547239599 /nfs/dbraw/zinc/23/95/99/547239599.db2.gz FFVGJFAYSGQQRN-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000553599106 547293132 /nfs/dbraw/zinc/29/31/32/547293132.db2.gz KDLLVOKGVDRAJS-BFYDXBDKSA-N 2 2 356.536 0.928 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000281204168 547396611 /nfs/dbraw/zinc/39/66/11/547396611.db2.gz NJEANXBHDQNKHI-OAHLLOKOSA-N 2 2 356.492 0.700 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000281204168 547396615 /nfs/dbraw/zinc/39/66/15/547396615.db2.gz NJEANXBHDQNKHI-OAHLLOKOSA-N 2 2 356.492 0.700 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401810 598837139 /nfs/dbraw/zinc/83/71/39/598837139.db2.gz YMGDOVMMNJVWQZ-KBPBESRZSA-N 2 2 359.482 0.959 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736401810 598837141 /nfs/dbraw/zinc/83/71/41/598837141.db2.gz YMGDOVMMNJVWQZ-KBPBESRZSA-N 2 2 359.482 0.959 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851451 598742927 /nfs/dbraw/zinc/74/29/27/598742927.db2.gz IDKZHTSYEUVNQL-HNNXBMFYSA-N 2 2 370.461 0.502 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851451 598742928 /nfs/dbraw/zinc/74/29/28/598742928.db2.gz IDKZHTSYEUVNQL-HNNXBMFYSA-N 2 2 370.461 0.502 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC000821586377 599697879 /nfs/dbraw/zinc/69/78/79/599697879.db2.gz VKAOIMUYNKGLNS-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC000956569147 674526494 /nfs/dbraw/zinc/52/64/94/674526494.db2.gz ZPSUXLGBQDUCFL-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC000956569147 674526496 /nfs/dbraw/zinc/52/64/96/674526496.db2.gz ZPSUXLGBQDUCFL-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000956581827 674527123 /nfs/dbraw/zinc/52/71/23/674527123.db2.gz UEDRYVKXMQYCFY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000956581827 674527125 /nfs/dbraw/zinc/52/71/25/674527125.db2.gz UEDRYVKXMQYCFY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969703717 663190144 /nfs/dbraw/zinc/19/01/44/663190144.db2.gz IRRFWPWPWIMPNW-JJRVBVJISA-N 2 2 350.507 0.822 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969703717 663190146 /nfs/dbraw/zinc/19/01/46/663190146.db2.gz IRRFWPWPWIMPNW-JJRVBVJISA-N 2 2 350.507 0.822 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891412051 663385629 /nfs/dbraw/zinc/38/56/29/663385629.db2.gz UQZTWRPSTAFPBU-ZMSDIMECSA-N 2 2 354.520 0.730 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891537639 663412815 /nfs/dbraw/zinc/41/28/15/663412815.db2.gz MFCHRFIPJFWERP-AWEZNQCLSA-N 2 2 360.524 0.408 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891538215 663412963 /nfs/dbraw/zinc/41/29/63/663412963.db2.gz UDESDOAAQQHHOP-UHFFFAOYSA-N 2 2 358.508 0.161 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559637 663415447 /nfs/dbraw/zinc/41/54/47/663415447.db2.gz GSYOXMXGXLXXMB-KBPBESRZSA-N 3 2 359.465 0.699 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559637 663415450 /nfs/dbraw/zinc/41/54/50/663415450.db2.gz GSYOXMXGXLXXMB-KBPBESRZSA-N 3 2 359.465 0.699 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022274977 663428678 /nfs/dbraw/zinc/42/86/78/663428678.db2.gz GLZQOZVCRCZTKR-GPXIKIIXSA-N 2 2 353.492 0.863 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022274977 663428683 /nfs/dbraw/zinc/42/86/83/663428683.db2.gz GLZQOZVCRCZTKR-GPXIKIIXSA-N 2 2 353.492 0.863 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC001022275691 663428735 /nfs/dbraw/zinc/42/87/35/663428735.db2.gz QRAFYFRCDXDSCZ-RUZUBIRVSA-N 2 2 365.503 0.871 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)s3)C2)O1 ZINC001022275691 663428737 /nfs/dbraw/zinc/42/87/37/663428737.db2.gz QRAFYFRCDXDSCZ-RUZUBIRVSA-N 2 2 365.503 0.871 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001022275170 663428801 /nfs/dbraw/zinc/42/88/01/663428801.db2.gz ILWLTYPNNGOAOE-XHJNMGKDSA-N 2 2 351.451 0.649 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001022275170 663428804 /nfs/dbraw/zinc/42/88/04/663428804.db2.gz ILWLTYPNNGOAOE-XHJNMGKDSA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001022276324 663429245 /nfs/dbraw/zinc/42/92/45/663429245.db2.gz GOVHSHCOCAPTRE-YIYPIFLZSA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001022276324 663429247 /nfs/dbraw/zinc/42/92/47/663429247.db2.gz GOVHSHCOCAPTRE-YIYPIFLZSA-N 2 2 351.451 0.649 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000179026951 663637419 /nfs/dbraw/zinc/63/74/19/663637419.db2.gz WEASKNYYANYNBT-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000179026951 663637422 /nfs/dbraw/zinc/63/74/22/663637422.db2.gz WEASKNYYANYNBT-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000179026951 663637423 /nfs/dbraw/zinc/63/74/23/663637423.db2.gz WEASKNYYANYNBT-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000179026951 663637425 /nfs/dbraw/zinc/63/74/25/663637425.db2.gz WEASKNYYANYNBT-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP [NH3+]CC1(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCOCC1 ZINC000892513554 663993683 /nfs/dbraw/zinc/99/36/83/663993683.db2.gz CQCQZDZYEQUYEQ-UHFFFAOYSA-N 2 2 365.503 0.942 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892514223 663996124 /nfs/dbraw/zinc/99/61/24/663996124.db2.gz YYALZHOKAVSEFD-UHFFFAOYSA-N 2 2 353.492 0.752 20 0 FCADLP CC(=O)OC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892594663 664045499 /nfs/dbraw/zinc/04/54/99/664045499.db2.gz NQNFEJXFEGCURW-CQSZACIVSA-N 2 2 370.475 0.075 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CCO1 ZINC000892606089 664047375 /nfs/dbraw/zinc/04/73/75/664047375.db2.gz XKPBQSFOGRAQAU-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CCO1 ZINC000892606089 664047380 /nfs/dbraw/zinc/04/73/80/664047380.db2.gz XKPBQSFOGRAQAU-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892606089 664047385 /nfs/dbraw/zinc/04/73/85/664047385.db2.gz XKPBQSFOGRAQAU-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCO1 ZINC000892606089 664047388 /nfs/dbraw/zinc/04/73/88/664047388.db2.gz XKPBQSFOGRAQAU-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(CC[NH3+])CCO)C2)c1 ZINC000892608825 664048134 /nfs/dbraw/zinc/04/81/34/664048134.db2.gz IMCFGLIMRMXQND-QGZVFWFLSA-N 2 2 350.463 0.158 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(CC[NH3+])CCO)C2)c1 ZINC000892608825 664048138 /nfs/dbraw/zinc/04/81/38/664048138.db2.gz IMCFGLIMRMXQND-QGZVFWFLSA-N 2 2 350.463 0.158 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[C@H](C)[NH+]1CCOCC1 ZINC000892837531 664149003 /nfs/dbraw/zinc/14/90/03/664149003.db2.gz CTOUOGCLXLAOCL-NXOAAHMSSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892930102 664155660 /nfs/dbraw/zinc/15/56/60/664155660.db2.gz QVCCYBDIJGGBJH-CQSZACIVSA-N 2 2 360.524 0.279 20 0 FCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892930102 664155661 /nfs/dbraw/zinc/15/56/61/664155661.db2.gz QVCCYBDIJGGBJH-CQSZACIVSA-N 2 2 360.524 0.279 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000892930097 664155755 /nfs/dbraw/zinc/15/57/55/664155755.db2.gz QPIVXHQKSADOHO-AWEZNQCLSA-N 2 2 360.524 0.136 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000892930097 664155756 /nfs/dbraw/zinc/15/57/56/664155756.db2.gz QPIVXHQKSADOHO-AWEZNQCLSA-N 2 2 360.524 0.136 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(=O)O1 ZINC000893267995 664224678 /nfs/dbraw/zinc/22/46/78/664224678.db2.gz QGDCGKCEUMVYLA-CABCVRRESA-N 2 2 352.479 0.940 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000925611601 664235806 /nfs/dbraw/zinc/23/58/06/664235806.db2.gz NDQHBLQVJILZTA-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP Cc1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001026514444 664239461 /nfs/dbraw/zinc/23/94/61/664239461.db2.gz DIWLTLUZBWDRGY-GALLPEHLSA-N 2 2 350.467 0.349 20 0 FCADLP Cc1nnc(C[NH2+]C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001026514444 664239463 /nfs/dbraw/zinc/23/94/63/664239463.db2.gz DIWLTLUZBWDRGY-GALLPEHLSA-N 2 2 350.467 0.349 20 0 FCADLP C[NH+]1CCC(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)CC1 ZINC000893381944 664269862 /nfs/dbraw/zinc/26/98/62/664269862.db2.gz CPYFQXWUFXQFIE-UHFFFAOYSA-N 2 2 367.519 0.917 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978323347 664434886 /nfs/dbraw/zinc/43/48/86/664434886.db2.gz UVNNWIBQSLWVEI-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978323347 664434888 /nfs/dbraw/zinc/43/48/88/664434888.db2.gz UVNNWIBQSLWVEI-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978323347 664434890 /nfs/dbraw/zinc/43/48/90/664434890.db2.gz UVNNWIBQSLWVEI-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)s1 ZINC000978323347 664434891 /nfs/dbraw/zinc/43/48/91/664434891.db2.gz UVNNWIBQSLWVEI-DVLUHMITSA-N 2 2 365.503 0.360 20 0 FCADLP Cc1csc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978345535 664435396 /nfs/dbraw/zinc/43/53/96/664435396.db2.gz APORVRNYTITKBE-DGXTUMSLSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1csc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978345535 664435399 /nfs/dbraw/zinc/43/53/99/664435399.db2.gz APORVRNYTITKBE-DGXTUMSLSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1csc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978345535 664435402 /nfs/dbraw/zinc/43/54/02/664435402.db2.gz APORVRNYTITKBE-DGXTUMSLSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1csc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978345535 664435406 /nfs/dbraw/zinc/43/54/06/664435406.db2.gz APORVRNYTITKBE-DGXTUMSLSA-N 2 2 364.515 0.965 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043278 664816579 /nfs/dbraw/zinc/81/65/79/664816579.db2.gz KOWGYQIYRFGPDZ-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+]1CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043278 664816582 /nfs/dbraw/zinc/81/65/82/664816582.db2.gz KOWGYQIYRFGPDZ-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP COC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000726587718 664921469 /nfs/dbraw/zinc/92/14/69/664921469.db2.gz BALNPUDINHUIMV-ZDUSSCGKSA-N 2 2 352.435 0.378 20 0 FCADLP COC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000726587718 664921470 /nfs/dbraw/zinc/92/14/70/664921470.db2.gz BALNPUDINHUIMV-ZDUSSCGKSA-N 2 2 352.435 0.378 20 0 FCADLP CCc1cnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630130 664931226 /nfs/dbraw/zinc/93/12/26/664931226.db2.gz YEUVOAGMDVQMSG-IIAWOOMASA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001028630130 664931227 /nfs/dbraw/zinc/93/12/27/664931227.db2.gz YEUVOAGMDVQMSG-IIAWOOMASA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630130 664931229 /nfs/dbraw/zinc/93/12/29/664931229.db2.gz YEUVOAGMDVQMSG-IIAWOOMASA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001028630130 664931230 /nfs/dbraw/zinc/93/12/30/664931230.db2.gz YEUVOAGMDVQMSG-IIAWOOMASA-N 2 2 350.463 0.894 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000984017073 665013971 /nfs/dbraw/zinc/01/39/71/665013971.db2.gz XNEUBRCVWDQTAM-FMKGYKFTSA-N 2 2 353.492 0.550 20 0 FCADLP Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000984017073 665013977 /nfs/dbraw/zinc/01/39/77/665013977.db2.gz XNEUBRCVWDQTAM-FMKGYKFTSA-N 2 2 353.492 0.550 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC000960528992 674678091 /nfs/dbraw/zinc/67/80/91/674678091.db2.gz SMBJRXMOVCUQGS-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1ncc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC000960528992 674678095 /nfs/dbraw/zinc/67/80/95/674678095.db2.gz SMBJRXMOVCUQGS-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)s1 ZINC000960528992 674678097 /nfs/dbraw/zinc/67/80/97/674678097.db2.gz SMBJRXMOVCUQGS-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)s1 ZINC000960528992 674678102 /nfs/dbraw/zinc/67/81/02/674678102.db2.gz SMBJRXMOVCUQGS-IRHMCKRBSA-N 2 2 350.488 0.717 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000896569001 665094423 /nfs/dbraw/zinc/09/44/23/665094423.db2.gz RBNYEWYEUSQIIM-DZVNLGKHSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000896569001 665094425 /nfs/dbraw/zinc/09/44/25/665094425.db2.gz RBNYEWYEUSQIIM-DZVNLGKHSA-N 2 2 354.539 0.871 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001029767599 665171282 /nfs/dbraw/zinc/17/12/82/665171282.db2.gz VRSFJAVLEHJJGL-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001029767599 665171284 /nfs/dbraw/zinc/17/12/84/665171284.db2.gz VRSFJAVLEHJJGL-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001029767599 665171286 /nfs/dbraw/zinc/17/12/86/665171286.db2.gz VRSFJAVLEHJJGL-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP Cc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001029767599 665171287 /nfs/dbraw/zinc/17/12/87/665171287.db2.gz VRSFJAVLEHJJGL-BPLDGKMQSA-N 2 2 367.519 0.846 20 0 FCADLP C[N@H+](CCF)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985546963 665174433 /nfs/dbraw/zinc/17/44/33/665174433.db2.gz BVSMYBBFUAVBTI-SJORKVTESA-N 2 2 357.470 0.759 20 0 FCADLP C[N@@H+](CCF)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985546963 665174435 /nfs/dbraw/zinc/17/44/35/665174435.db2.gz BVSMYBBFUAVBTI-SJORKVTESA-N 2 2 357.470 0.759 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCCS(C)(=O)=O ZINC000729159455 665235937 /nfs/dbraw/zinc/23/59/37/665235937.db2.gz QRDODNIKDGYOLZ-CQSZACIVSA-N 2 2 364.581 0.253 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCCS(C)(=O)=O ZINC000729159455 665235939 /nfs/dbraw/zinc/23/59/39/665235939.db2.gz QRDODNIKDGYOLZ-CQSZACIVSA-N 2 2 364.581 0.253 20 0 FCADLP CC(C)C[C@H]1NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000054518736 665342640 /nfs/dbraw/zinc/34/26/40/665342640.db2.gz ROLVUIRUVTUGHX-MRXNPFEDSA-N 2 2 352.479 0.955 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906620189 666059089 /nfs/dbraw/zinc/05/90/89/666059089.db2.gz XWMNZUMGQVYPHB-INIZCTEOSA-N 2 2 350.463 0.271 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906620189 666059093 /nfs/dbraw/zinc/05/90/93/666059093.db2.gz XWMNZUMGQVYPHB-INIZCTEOSA-N 2 2 350.463 0.271 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000908146314 666186979 /nfs/dbraw/zinc/18/69/79/666186979.db2.gz SJQVMLQSCRURAB-ROUUACIJSA-N 2 2 352.523 0.724 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000909032510 666223881 /nfs/dbraw/zinc/22/38/81/666223881.db2.gz JBCVJZDAUTXMSF-HDICACEKSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000909032510 666223884 /nfs/dbraw/zinc/22/38/84/666223884.db2.gz JBCVJZDAUTXMSF-HDICACEKSA-N 2 2 354.539 0.706 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069110949 666496253 /nfs/dbraw/zinc/49/62/53/666496253.db2.gz LUCOMLUEWXJCHQ-CQSZACIVSA-N 2 2 362.540 0.525 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069110949 666496257 /nfs/dbraw/zinc/49/62/57/666496257.db2.gz LUCOMLUEWXJCHQ-CQSZACIVSA-N 2 2 362.540 0.525 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000913117168 666501162 /nfs/dbraw/zinc/50/11/62/666501162.db2.gz YWXBXIJDHCSZSZ-ROUUACIJSA-N 2 2 352.523 0.462 20 0 FCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069440049 666512996 /nfs/dbraw/zinc/51/29/96/666512996.db2.gz GEXHNDCNYNQADS-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069440049 666512998 /nfs/dbraw/zinc/51/29/98/666512998.db2.gz GEXHNDCNYNQADS-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174716576 666633981 /nfs/dbraw/zinc/63/39/81/666633981.db2.gz RRJQDZPHPPCEEJ-CYBMUJFWSA-N 2 2 367.519 0.743 20 0 FCADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174716576 666633983 /nfs/dbraw/zinc/63/39/83/666633983.db2.gz RRJQDZPHPPCEEJ-CYBMUJFWSA-N 2 2 367.519 0.743 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000731756913 666837636 /nfs/dbraw/zinc/83/76/36/666837636.db2.gz LUYRVEWDBAOOCJ-UHFFFAOYSA-N 2 2 360.524 0.281 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCO[C@H]3CCOC3)CC2)CC1 ZINC000915501056 666873053 /nfs/dbraw/zinc/87/30/53/666873053.db2.gz YIPVBTREKUCSRD-KRWDZBQOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)O1 ZINC000995957789 666897007 /nfs/dbraw/zinc/89/70/07/666897007.db2.gz LPEJSNCIFOJMHI-MRVWCRGKSA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)O1 ZINC000995957789 666897010 /nfs/dbraw/zinc/89/70/10/666897010.db2.gz LPEJSNCIFOJMHI-MRVWCRGKSA-N 2 2 353.492 0.584 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993582845 666918262 /nfs/dbraw/zinc/91/82/62/666918262.db2.gz BYRMDRRCWWWWDG-MGPQQGTHSA-N 2 2 365.503 0.145 20 0 FCADLP CSCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993582845 666918264 /nfs/dbraw/zinc/91/82/64/666918264.db2.gz BYRMDRRCWWWWDG-MGPQQGTHSA-N 2 2 365.503 0.145 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996715095 666965242 /nfs/dbraw/zinc/96/52/42/666965242.db2.gz CYKJPOYYXWRIAB-TYNCELHUSA-N 2 2 351.451 0.739 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996715095 666965245 /nfs/dbraw/zinc/96/52/45/666965245.db2.gz CYKJPOYYXWRIAB-TYNCELHUSA-N 2 2 351.451 0.739 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000917224706 667064387 /nfs/dbraw/zinc/06/43/87/667064387.db2.gz SRMYHDLISKNARC-DOTOQJQBSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000917224706 667064389 /nfs/dbraw/zinc/06/43/89/667064389.db2.gz SRMYHDLISKNARC-DOTOQJQBSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](C4OCCO4)C3)C2)CC1 ZINC000918906301 667140268 /nfs/dbraw/zinc/14/02/68/667140268.db2.gz MLNOSDXFQSEQEO-LSDHHAIUSA-N 2 2 352.479 0.559 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](C4OCCO4)C3)C2)CC1 ZINC000918906301 667140270 /nfs/dbraw/zinc/14/02/70/667140270.db2.gz MLNOSDXFQSEQEO-LSDHHAIUSA-N 2 2 352.479 0.559 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001032534132 667172283 /nfs/dbraw/zinc/17/22/83/667172283.db2.gz ORGANISLQHFGEE-FJIDUMEYSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001032534132 667172285 /nfs/dbraw/zinc/17/22/85/667172285.db2.gz ORGANISLQHFGEE-FJIDUMEYSA-N 2 2 351.491 0.807 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000998982628 667224812 /nfs/dbraw/zinc/22/48/12/667224812.db2.gz FWVJBWLCYYWYRG-BLYZHGLHSA-N 2 2 367.519 0.899 20 0 FCADLP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000998982628 667224814 /nfs/dbraw/zinc/22/48/14/667224814.db2.gz FWVJBWLCYYWYRG-BLYZHGLHSA-N 2 2 367.519 0.899 20 0 FCADLP CCn1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000998983643 667225046 /nfs/dbraw/zinc/22/50/46/667225046.db2.gz OUKFBHDHOAHCNI-FKFRUQKQSA-N 2 2 350.467 0.096 20 0 FCADLP CCn1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000998983643 667225049 /nfs/dbraw/zinc/22/50/49/667225049.db2.gz OUKFBHDHOAHCNI-FKFRUQKQSA-N 2 2 350.467 0.096 20 0 FCADLP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998985518 667225522 /nfs/dbraw/zinc/22/55/22/667225522.db2.gz YYBHKJXVHBMNOM-FKFRUQKQSA-N 2 2 350.467 0.096 20 0 FCADLP CCn1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998985518 667225525 /nfs/dbraw/zinc/22/55/25/667225525.db2.gz YYBHKJXVHBMNOM-FKFRUQKQSA-N 2 2 350.467 0.096 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000999188482 667230121 /nfs/dbraw/zinc/23/01/21/667230121.db2.gz AYGHFEWLRMEUCM-HZSPNIEDSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000999188482 667230123 /nfs/dbraw/zinc/23/01/23/667230123.db2.gz AYGHFEWLRMEUCM-HZSPNIEDSA-N 2 2 350.467 0.556 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCCCC3)C2)CC[N@@H+]1C ZINC001031684510 667267367 /nfs/dbraw/zinc/26/73/67/667267367.db2.gz QRQVIXYMCSKIOD-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCCCC3)C2)CC[N@H+]1C ZINC001031684510 667267370 /nfs/dbraw/zinc/26/73/70/667267370.db2.gz QRQVIXYMCSKIOD-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP Cc1ccc(NCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)[nH+]c1 ZINC000921873269 667528482 /nfs/dbraw/zinc/52/84/82/667528482.db2.gz QXXAZOMWAGLEQF-UHFFFAOYSA-N 2 2 355.508 0.359 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185358 667713508 /nfs/dbraw/zinc/71/35/08/667713508.db2.gz OLQXBQGJYXOACC-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033185358 667713512 /nfs/dbraw/zinc/71/35/12/667713512.db2.gz OLQXBQGJYXOACC-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033185358 667713514 /nfs/dbraw/zinc/71/35/14/667713514.db2.gz OLQXBQGJYXOACC-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033185358 667713515 /nfs/dbraw/zinc/71/35/15/667713515.db2.gz OLQXBQGJYXOACC-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033292239 667727055 /nfs/dbraw/zinc/72/70/55/667727055.db2.gz RUCIEJJTCOIQGM-BBWFWOEESA-N 2 2 355.479 0.045 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074098229 667773040 /nfs/dbraw/zinc/77/30/40/667773040.db2.gz LMYHLHUUSIDIHG-BRWVUGGUSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074098229 667773042 /nfs/dbraw/zinc/77/30/42/667773042.db2.gz LMYHLHUUSIDIHG-BRWVUGGUSA-N 2 2 352.479 0.356 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOC3CCC3)CCO2)O1 ZINC001035422975 667779710 /nfs/dbraw/zinc/77/97/10/667779710.db2.gz NXPHZHOPQCJDTF-HYVNUMGLSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](CCOC3CCC3)CCO2)O1 ZINC001035422975 667779713 /nfs/dbraw/zinc/77/97/13/667779713.db2.gz NXPHZHOPQCJDTF-HYVNUMGLSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](CCOC3CCC3)CCO2)O1 ZINC001035422975 667779717 /nfs/dbraw/zinc/77/97/17/667779717.db2.gz NXPHZHOPQCJDTF-HYVNUMGLSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](CCOC3CCC3)CCO2)O1 ZINC001035422975 667779721 /nfs/dbraw/zinc/77/97/21/667779721.db2.gz NXPHZHOPQCJDTF-HYVNUMGLSA-N 2 2 355.479 0.092 20 0 FCADLP CCc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961987741 674852929 /nfs/dbraw/zinc/85/29/29/674852929.db2.gz DGCLUHPMUDKMFQ-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CCc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961987741 674852931 /nfs/dbraw/zinc/85/29/31/674852931.db2.gz DGCLUHPMUDKMFQ-BLYZHGLHSA-N 2 2 351.451 0.336 20 0 FCADLP CCN1C(=O)CN(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000760283560 667843391 /nfs/dbraw/zinc/84/33/91/667843391.db2.gz CTYBLZYZYXITRF-UHFFFAOYSA-N 2 2 351.495 0.718 20 0 FCADLP COC(=O)N1CC[NH+](CCCCC[NH+]2CCN(C(=O)OC)CC2)CC1 ZINC000740875060 668007605 /nfs/dbraw/zinc/00/76/05/668007605.db2.gz AXVPFVURWJNABW-UHFFFAOYSA-N 2 2 356.467 0.925 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](OCC3CC3)C1)C2=O ZINC000777554557 668329828 /nfs/dbraw/zinc/32/98/28/668329828.db2.gz IVTDMLRDFYELDW-HNNXBMFYSA-N 2 2 350.463 0.851 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](OCC3CC3)C1)C2=O ZINC000777554557 668329830 /nfs/dbraw/zinc/32/98/30/668329830.db2.gz IVTDMLRDFYELDW-HNNXBMFYSA-N 2 2 350.463 0.851 20 0 FCADLP CCS(=O)(=O)CC[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000818989348 668968635 /nfs/dbraw/zinc/96/86/35/668968635.db2.gz LVPGSCCMMVQZBX-UHFFFAOYSA-N 2 2 354.476 0.145 20 0 FCADLP CS(=O)(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819040410 668973254 /nfs/dbraw/zinc/97/32/54/668973254.db2.gz KLUOOQNQRYVYBL-INIZCTEOSA-N 2 2 353.488 0.518 20 0 FCADLP CS(=O)(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819040410 668973258 /nfs/dbraw/zinc/97/32/58/668973258.db2.gz KLUOOQNQRYVYBL-INIZCTEOSA-N 2 2 353.488 0.518 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000819078510 668977013 /nfs/dbraw/zinc/97/70/13/668977013.db2.gz WWHUFXJXMZKMGV-QAPCUYQASA-N 2 2 355.429 0.994 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000827460323 669570266 /nfs/dbraw/zinc/57/02/66/669570266.db2.gz XLVSQDRPIJTPJC-KSZLIROESA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000827460323 669570268 /nfs/dbraw/zinc/57/02/68/669570268.db2.gz XLVSQDRPIJTPJC-KSZLIROESA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000812030840 669784692 /nfs/dbraw/zinc/78/46/92/669784692.db2.gz LMYHLHUUSIDIHG-BBWFWOEESA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000812030840 669784696 /nfs/dbraw/zinc/78/46/96/669784696.db2.gz LMYHLHUUSIDIHG-BBWFWOEESA-N 2 2 352.479 0.356 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888464 670047060 /nfs/dbraw/zinc/04/70/60/670047060.db2.gz GFQRFPROHSWDKW-WCQYABFASA-N 2 2 373.441 0.905 20 0 FCADLP Cn1nc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047026 670770499 /nfs/dbraw/zinc/77/04/99/670770499.db2.gz LHJRKJIPAZACBL-GFCCVEGCSA-N 2 2 370.295 0.826 20 0 FCADLP Cn1nc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047026 670770505 /nfs/dbraw/zinc/77/05/05/670770505.db2.gz LHJRKJIPAZACBL-GFCCVEGCSA-N 2 2 370.295 0.826 20 0 FCADLP COCCOCC[NH+]1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000844595560 670930789 /nfs/dbraw/zinc/93/07/89/670930789.db2.gz ASYNGVNCPXSXGM-UHFFFAOYSA-N 2 2 358.552 0.483 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821859 671151594 /nfs/dbraw/zinc/15/15/94/671151594.db2.gz WJUUZWVIJKZAFJ-CVEARBPZSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821859 671151597 /nfs/dbraw/zinc/15/15/97/671151597.db2.gz WJUUZWVIJKZAFJ-CVEARBPZSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821859 671151601 /nfs/dbraw/zinc/15/16/01/671151601.db2.gz WJUUZWVIJKZAFJ-CVEARBPZSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821859 671151606 /nfs/dbraw/zinc/15/16/06/671151606.db2.gz WJUUZWVIJKZAFJ-CVEARBPZSA-N 2 2 350.463 0.671 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000848063171 671247207 /nfs/dbraw/zinc/24/72/07/671247207.db2.gz DMDJMGOYXXWDFM-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848658301 671288912 /nfs/dbraw/zinc/28/89/12/671288912.db2.gz FBYXGMFCHSSBMK-QGZVFWFLSA-N 2 2 370.563 0.770 20 0 FCADLP CC(C)[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000849111297 671318431 /nfs/dbraw/zinc/31/84/31/671318431.db2.gz YTMDTQFTDDEEAO-AWEZNQCLSA-N 2 2 357.499 0.982 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCOCC[NH+](C)C)c1C ZINC000803668051 675955120 /nfs/dbraw/zinc/95/51/20/675955120.db2.gz FXZDKJRXHLEWQC-UHFFFAOYSA-N 2 2 352.435 0.018 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)[C@@H](C)CO1 ZINC000864804741 672211407 /nfs/dbraw/zinc/21/14/07/672211407.db2.gz ULNPUJSJQJWXAA-KNCOVGOOSA-N 2 2 350.467 0.560 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)[C@@H](C)CO1 ZINC000864804741 672211409 /nfs/dbraw/zinc/21/14/09/672211409.db2.gz ULNPUJSJQJWXAA-KNCOVGOOSA-N 2 2 350.467 0.560 20 0 FCADLP CN(C(=O)/C=C/CN1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728543 672249344 /nfs/dbraw/zinc/24/93/44/672249344.db2.gz WOYCUZNGENVQNK-WHLIDYPQSA-N 2 2 350.507 0.502 20 0 FCADLP CN(C(=O)/C=C/CN1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728543 672249346 /nfs/dbraw/zinc/24/93/46/672249346.db2.gz WOYCUZNGENVQNK-WHLIDYPQSA-N 2 2 350.507 0.502 20 0 FCADLP O=C1COC[C@@]2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)COCCN12 ZINC000865795506 672251666 /nfs/dbraw/zinc/25/16/66/672251666.db2.gz IMTFPUJLHOZBID-OAHLLOKOSA-N 2 2 365.396 0.621 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2COC3(C[NH+](CC4CCCC4)C3)C2)O1 ZINC001053846023 675999227 /nfs/dbraw/zinc/99/92/27/675999227.db2.gz WOVDBRBGRPIXJM-DJIMGWMZSA-N 2 2 351.491 0.855 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2COC3(C[NH+](CC4CCCC4)C3)C2)O1 ZINC001053846023 675999228 /nfs/dbraw/zinc/99/92/28/675999228.db2.gz WOVDBRBGRPIXJM-DJIMGWMZSA-N 2 2 351.491 0.855 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNS(=O)(=O)N3CC[NH2+]CC3)CC2)oc1C ZINC000923610658 672431928 /nfs/dbraw/zinc/43/19/28/672431928.db2.gz UTUJIDBTQUPCHD-UHFFFAOYSA-N 2 2 371.507 0.243 20 0 FCADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870065100 672465548 /nfs/dbraw/zinc/46/55/48/672465548.db2.gz KAWMLJKWSYGWOS-ZWKOTPCHSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870065100 672465551 /nfs/dbraw/zinc/46/55/51/672465551.db2.gz KAWMLJKWSYGWOS-ZWKOTPCHSA-N 2 2 351.491 0.953 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3CC4(COC4)CC3=O)CC2)CC1 ZINC000872595410 672642510 /nfs/dbraw/zinc/64/25/10/672642510.db2.gz FAXQVZWSHZDNEK-UHFFFAOYSA-N 2 2 350.507 0.683 20 0 FCADLP CC(C)(CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000874430546 672783386 /nfs/dbraw/zinc/78/33/86/672783386.db2.gz FSUVPHXNDDRTSJ-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000874981394 672813314 /nfs/dbraw/zinc/81/33/14/672813314.db2.gz NHFDKCQQNASMCJ-UHFFFAOYSA-N 2 2 353.511 0.130 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000875312969 672866525 /nfs/dbraw/zinc/86/65/25/672866525.db2.gz KORJDVZGQGDNHS-IAGOWNOFSA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000875312969 672866530 /nfs/dbraw/zinc/86/65/30/672866530.db2.gz KORJDVZGQGDNHS-IAGOWNOFSA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000875559302 672892818 /nfs/dbraw/zinc/89/28/18/672892818.db2.gz RVLNCGSQPYEWQC-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000875559302 672892821 /nfs/dbraw/zinc/89/28/21/672892821.db2.gz RVLNCGSQPYEWQC-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000875559302 672892826 /nfs/dbraw/zinc/89/28/26/672892826.db2.gz RVLNCGSQPYEWQC-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000875559302 672892828 /nfs/dbraw/zinc/89/28/28/672892828.db2.gz RVLNCGSQPYEWQC-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876996230 672992359 /nfs/dbraw/zinc/99/23/59/672992359.db2.gz PZROUHUIPJKWFW-INIZCTEOSA-N 2 2 368.503 0.366 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876996230 672992360 /nfs/dbraw/zinc/99/23/60/672992360.db2.gz PZROUHUIPJKWFW-INIZCTEOSA-N 2 2 368.503 0.366 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000877329425 673008294 /nfs/dbraw/zinc/00/82/94/673008294.db2.gz RECULKMQKNPTJB-IRXDYDNUSA-N 2 2 351.491 0.905 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000877329425 673008304 /nfs/dbraw/zinc/00/83/04/673008304.db2.gz RECULKMQKNPTJB-IRXDYDNUSA-N 2 2 351.491 0.905 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000877443049 673014247 /nfs/dbraw/zinc/01/42/47/673014247.db2.gz BQYAHWQRJAOUGE-HLLBOEOZSA-N 2 2 350.507 0.953 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292830 673053355 /nfs/dbraw/zinc/05/33/55/673053355.db2.gz RJQLZQLGLSQRKN-DLBZAZTESA-N 2 2 351.491 0.986 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878292830 673053358 /nfs/dbraw/zinc/05/33/58/673053358.db2.gz RJQLZQLGLSQRKN-DLBZAZTESA-N 2 2 351.491 0.986 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490573 676124801 /nfs/dbraw/zinc/12/48/01/676124801.db2.gz VLOZKZHENLSCDN-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490573 676124802 /nfs/dbraw/zinc/12/48/02/676124802.db2.gz VLOZKZHENLSCDN-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490573 676124803 /nfs/dbraw/zinc/12/48/03/676124803.db2.gz VLOZKZHENLSCDN-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490573 676124804 /nfs/dbraw/zinc/12/48/04/676124804.db2.gz VLOZKZHENLSCDN-BPLDGKMQSA-N 2 2 351.451 0.568 20 0 FCADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000881844619 673249647 /nfs/dbraw/zinc/24/96/47/673249647.db2.gz ZKGQZQXCYXQFNN-CVEARBPZSA-N 2 2 365.499 0.816 20 0 FCADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000881844619 673249649 /nfs/dbraw/zinc/24/96/49/673249649.db2.gz ZKGQZQXCYXQFNN-CVEARBPZSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000881844619 673249650 /nfs/dbraw/zinc/24/96/50/673249650.db2.gz ZKGQZQXCYXQFNN-CVEARBPZSA-N 2 2 365.499 0.816 20 0 FCADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000881844619 673249652 /nfs/dbraw/zinc/24/96/52/673249652.db2.gz ZKGQZQXCYXQFNN-CVEARBPZSA-N 2 2 365.499 0.816 20 0 FCADLP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1 ZINC000884278936 673443276 /nfs/dbraw/zinc/44/32/76/673443276.db2.gz XFMBHRCHRCELIK-JKSUJKDBSA-N 2 2 353.488 0.484 20 0 FCADLP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000884318112 673446528 /nfs/dbraw/zinc/44/65/28/673446528.db2.gz NMEFNQWOZXIDPU-QGZVFWFLSA-N 2 2 351.447 0.582 20 0 FCADLP COCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000884318111 673446589 /nfs/dbraw/zinc/44/65/89/673446589.db2.gz NMEFNQWOZXIDPU-KRWDZBQOSA-N 2 2 351.447 0.582 20 0 FCADLP C[NH2+]CCOc1cccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000884427318 673452791 /nfs/dbraw/zinc/45/27/91/673452791.db2.gz RGZHBHXHNMCYRA-MRXNPFEDSA-N 2 2 351.447 0.050 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884627308 673467245 /nfs/dbraw/zinc/46/72/45/673467245.db2.gz LPEJZMHAPWFLEH-LBPRGKRZSA-N 2 2 355.389 0.361 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000884684747 673472353 /nfs/dbraw/zinc/47/23/53/673472353.db2.gz OLUHVOFASFTMMJ-BBRMVZONSA-N 2 2 350.438 0.884 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000884704894 673474991 /nfs/dbraw/zinc/47/49/91/673474991.db2.gz YAYORQCYMVSQGG-CZUORRHYSA-N 2 2 350.438 0.884 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C2)cc1 ZINC000884722242 673477108 /nfs/dbraw/zinc/47/71/08/673477108.db2.gz NWGIKQDZVNOYGO-AWEZNQCLSA-N 2 2 354.401 0.396 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C2)cc1 ZINC000884722242 673477111 /nfs/dbraw/zinc/47/71/11/673477111.db2.gz NWGIKQDZVNOYGO-AWEZNQCLSA-N 2 2 354.401 0.396 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000884976917 673495237 /nfs/dbraw/zinc/49/52/37/673495237.db2.gz DJQIPMQIEVMLEV-AWEZNQCLSA-N 2 2 363.487 0.201 20 0 FCADLP CN(CCC[NH3+])C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884976770 673495322 /nfs/dbraw/zinc/49/53/22/673495322.db2.gz AADHQDPMQRRJSL-UHFFFAOYSA-N 2 2 351.476 0.058 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000884977397 673495479 /nfs/dbraw/zinc/49/54/79/673495479.db2.gz QYXIFWQNAZYIHJ-AWEZNQCLSA-N 2 2 363.487 0.071 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)c(N(C)C)[nH+]1 ZINC000887034120 673616393 /nfs/dbraw/zinc/61/63/93/673616393.db2.gz ITRXACMUERAIKT-LLVKDONJSA-N 2 2 355.389 0.756 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132787 673622703 /nfs/dbraw/zinc/62/27/03/673622703.db2.gz MXEHKTJMVAINPN-OAHLLOKOSA-N 2 2 356.492 0.548 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132787 673622705 /nfs/dbraw/zinc/62/27/05/673622705.db2.gz MXEHKTJMVAINPN-OAHLLOKOSA-N 2 2 356.492 0.548 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCC12OCCO2 ZINC000889514151 673678580 /nfs/dbraw/zinc/67/85/80/673678580.db2.gz IIXAVSOZCSJLTB-MRXNPFEDSA-N 2 2 354.495 0.949 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCC12OCCO2 ZINC000889514151 673678582 /nfs/dbraw/zinc/67/85/82/673678582.db2.gz IIXAVSOZCSJLTB-MRXNPFEDSA-N 2 2 354.495 0.949 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755274 673685924 /nfs/dbraw/zinc/68/59/24/673685924.db2.gz FIPIIJDIWYBNRI-KSZLIROESA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755274 673685926 /nfs/dbraw/zinc/68/59/26/673685926.db2.gz FIPIIJDIWYBNRI-KSZLIROESA-N 2 2 351.491 0.687 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000889755274 673685928 /nfs/dbraw/zinc/68/59/28/673685928.db2.gz FIPIIJDIWYBNRI-KSZLIROESA-N 2 2 351.491 0.687 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000925600644 673796038 /nfs/dbraw/zinc/79/60/38/673796038.db2.gz HQXTWMVUBXKQKR-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP CC[C@]1(COC)NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000927414975 673861722 /nfs/dbraw/zinc/86/17/22/673861722.db2.gz QTOUUPAJOXQINN-GOSISDBHSA-N 2 2 352.479 0.892 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922719 675392997 /nfs/dbraw/zinc/39/29/97/675392997.db2.gz DSPGNRZULPBMPH-IVMMDQJWSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922719 675393000 /nfs/dbraw/zinc/39/30/00/675393000.db2.gz DSPGNRZULPBMPH-IVMMDQJWSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922719 675393005 /nfs/dbraw/zinc/39/30/05/675393005.db2.gz DSPGNRZULPBMPH-IVMMDQJWSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001014922719 675393006 /nfs/dbraw/zinc/39/30/06/675393006.db2.gz DSPGNRZULPBMPH-IVMMDQJWSA-N 2 2 352.504 0.904 20 0 FCADLP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001017758382 675415424 /nfs/dbraw/zinc/41/54/24/675415424.db2.gz UTANAHRTIASBGJ-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001017758382 675415432 /nfs/dbraw/zinc/41/54/32/675415432.db2.gz UTANAHRTIASBGJ-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020255477 675438850 /nfs/dbraw/zinc/43/88/50/675438850.db2.gz QAQKROBAOODFGF-KJWHEZOQSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020255477 675438855 /nfs/dbraw/zinc/43/88/55/675438855.db2.gz QAQKROBAOODFGF-KJWHEZOQSA-N 2 2 366.487 0.575 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC(C)CC2)CC[N@@H+]1C ZINC001038266133 675443070 /nfs/dbraw/zinc/44/30/70/675443070.db2.gz PNCBGELATLWIHK-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC(C)CC2)CC[N@H+]1C ZINC001038266133 675443071 /nfs/dbraw/zinc/44/30/71/675443071.db2.gz PNCBGELATLWIHK-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCC(C)CC2)CC[NH+]1C ZINC001038266133 675443072 /nfs/dbraw/zinc/44/30/72/675443072.db2.gz PNCBGELATLWIHK-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCC(C)CC2)CC[NH+]1C ZINC001038266133 675443073 /nfs/dbraw/zinc/44/30/73/675443073.db2.gz PNCBGELATLWIHK-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001045090925 675650367 /nfs/dbraw/zinc/65/03/67/675650367.db2.gz KIYUEASHHGNIFR-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001045090925 675650368 /nfs/dbraw/zinc/65/03/68/675650368.db2.gz KIYUEASHHGNIFR-VNHYZAJKSA-N 2 2 352.435 0.483 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC001045091432 675650512 /nfs/dbraw/zinc/65/05/12/675650512.db2.gz VTSNSRCGYHXFAT-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC001045091432 675650514 /nfs/dbraw/zinc/65/05/14/675650514.db2.gz VTSNSRCGYHXFAT-KWCYVHTRSA-N 2 2 353.492 0.646 20 0 FCADLP C/C(Cl)=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900605325 675699144 /nfs/dbraw/zinc/69/91/44/675699144.db2.gz JBRXWOGJMZJQTC-OWBHPGMISA-N 2 2 356.898 0.826 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900653519 675704004 /nfs/dbraw/zinc/70/40/04/675704004.db2.gz XODSYXFKAHXRBU-MRXNPFEDSA-N 2 2 355.479 0.442 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900653519 675704008 /nfs/dbraw/zinc/70/40/08/675704008.db2.gz XODSYXFKAHXRBU-MRXNPFEDSA-N 2 2 355.479 0.442 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000900978728 675736594 /nfs/dbraw/zinc/73/65/94/675736594.db2.gz LEDQCHLDWDROCL-HNNXBMFYSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCC(OC)CC2)C1 ZINC000900978728 675736596 /nfs/dbraw/zinc/73/65/96/675736596.db2.gz LEDQCHLDWDROCL-HNNXBMFYSA-N 2 2 355.479 0.489 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901200751 675769398 /nfs/dbraw/zinc/76/93/98/675769398.db2.gz JCMXWTRILOUGDR-HZMVEIRTSA-N 2 2 350.507 0.903 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901200751 675769399 /nfs/dbraw/zinc/76/93/99/675769399.db2.gz JCMXWTRILOUGDR-HZMVEIRTSA-N 2 2 350.507 0.903 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC001075906441 1192180085 /nfs/dbraw/zinc/18/00/85/1192180085.db2.gz KPUVQOAVTNPZFY-RRFJBIMHSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[NH+]4C)[C@@H]3C2)nc1=O ZINC001075906441 1192180096 /nfs/dbraw/zinc/18/00/96/1192180096.db2.gz KPUVQOAVTNPZFY-RRFJBIMHSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@@H+]4C)[C@@H]3C2)nc1=O ZINC001075906441 1192180105 /nfs/dbraw/zinc/18/01/05/1192180105.db2.gz KPUVQOAVTNPZFY-RRFJBIMHSA-N 2 2 362.478 0.016 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCN(C(=O)CC[C@H]4CCC[N@H+]4C)[C@@H]3C2)nc1=O ZINC001075906441 1192180116 /nfs/dbraw/zinc/18/01/16/1192180116.db2.gz KPUVQOAVTNPZFY-RRFJBIMHSA-N 2 2 362.478 0.016 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000988514201 1192246538 /nfs/dbraw/zinc/24/65/38/1192246538.db2.gz LJKXREPICOMWII-PVAVHDDUSA-N 2 2 361.490 0.943 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000988514201 1192246550 /nfs/dbraw/zinc/24/65/50/1192246550.db2.gz LJKXREPICOMWII-PVAVHDDUSA-N 2 2 361.490 0.943 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2O)c(C)[nH+]1 ZINC000969600716 1168023288 /nfs/dbraw/zinc/02/32/88/1168023288.db2.gz GFCVWAPBMCNJOV-VQHPVUNQSA-N 2 2 374.485 0.649 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2O)c(C)[nH+]1 ZINC000969600716 1168023300 /nfs/dbraw/zinc/02/33/00/1168023300.db2.gz GFCVWAPBMCNJOV-VQHPVUNQSA-N 2 2 374.485 0.649 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001020604023 1168149253 /nfs/dbraw/zinc/14/92/53/1168149253.db2.gz SXKJXSWDJWRXCJ-KLHDSHLOSA-N 2 2 359.474 0.773 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192482 1168156633 /nfs/dbraw/zinc/15/66/33/1168156633.db2.gz CXVYNVZHBHZSRL-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2C[NH+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192482 1168156643 /nfs/dbraw/zinc/15/66/43/1168156643.db2.gz CXVYNVZHBHZSRL-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192482 1168156649 /nfs/dbraw/zinc/15/66/49/1168156649.db2.gz CXVYNVZHBHZSRL-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1CCO[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]21 ZINC001083192482 1168156656 /nfs/dbraw/zinc/15/66/56/1168156656.db2.gz CXVYNVZHBHZSRL-YESZJQIVSA-N 2 2 364.490 0.005 20 0 FCADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001020614416 1168161599 /nfs/dbraw/zinc/16/15/99/1168161599.db2.gz YZOGXROHFCUFNK-VQHPVUNQSA-N 2 2 369.473 0.292 20 0 FCADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)C2)n1 ZINC001020614416 1168161606 /nfs/dbraw/zinc/16/16/06/1168161606.db2.gz YZOGXROHFCUFNK-VQHPVUNQSA-N 2 2 369.473 0.292 20 0 FCADLP COc1ccc(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969958145 1168235148 /nfs/dbraw/zinc/23/51/48/1168235148.db2.gz IZPHGBDYSKCAPA-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000969958145 1168235154 /nfs/dbraw/zinc/23/51/54/1168235154.db2.gz IZPHGBDYSKCAPA-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000969956969 1168236803 /nfs/dbraw/zinc/23/68/03/1168236803.db2.gz BTLIUKJGBRNLRK-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP COc1cc(C[NH+]2CC([C@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000969956969 1168236809 /nfs/dbraw/zinc/23/68/09/1168236809.db2.gz BTLIUKJGBRNLRK-JKIFEVAISA-N 2 2 362.474 0.746 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001719580335 1168432589 /nfs/dbraw/zinc/43/25/89/1168432589.db2.gz CPAGXTUPYFDYME-CVEARBPZSA-N 2 2 361.490 0.909 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]Cc2cnn(C)n2)CC1 ZINC001167271505 1168482070 /nfs/dbraw/zinc/48/20/70/1168482070.db2.gz UTPXZLDPPBEYFI-HUUCEWRRSA-N 2 2 357.462 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104273980 1168891151 /nfs/dbraw/zinc/89/11/51/1168891151.db2.gz CBHVQGKQQXNIMZ-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104273980 1168891154 /nfs/dbraw/zinc/89/11/54/1168891154.db2.gz CBHVQGKQQXNIMZ-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486148 1169060914 /nfs/dbraw/zinc/06/09/14/1169060914.db2.gz BPZLCDVDAYEDTA-VCBZYWHSSA-N 2 2 361.490 0.706 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001691770543 1169182192 /nfs/dbraw/zinc/18/21/92/1169182192.db2.gz YUVHCAZYVXMKHP-HUUCEWRRSA-N 2 2 363.462 0.028 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2O)C1 ZINC000970649476 1169257671 /nfs/dbraw/zinc/25/76/71/1169257671.db2.gz RKEDPWOHJRRSHJ-VUCTXSBTSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2O)C1 ZINC000970649476 1169257681 /nfs/dbraw/zinc/25/76/81/1169257681.db2.gz RKEDPWOHJRRSHJ-VUCTXSBTSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cc3c[nH+]cn3C)CCCC2)CC[N@@H+]1C ZINC001746232980 1192355147 /nfs/dbraw/zinc/35/51/47/1192355147.db2.gz NXGSXGSRDUAROU-GDBMZVCRSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cc3c[nH+]cn3C)CCCC2)CC[N@H+]1C ZINC001746232980 1192355151 /nfs/dbraw/zinc/35/51/51/1192355151.db2.gz NXGSXGSRDUAROU-GDBMZVCRSA-N 2 2 361.490 0.848 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021490835 1169471421 /nfs/dbraw/zinc/47/14/21/1169471421.db2.gz RYZDEZUIVOJUIU-LSDHHAIUSA-N 2 2 357.458 0.497 20 0 FCADLP CC[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CC1 ZINC001272096391 1192365749 /nfs/dbraw/zinc/36/57/49/1192365749.db2.gz OTIMGZAQBVUDTM-MSOLQXFVSA-N 2 2 361.490 0.527 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]21 ZINC001021708685 1169907135 /nfs/dbraw/zinc/90/71/35/1169907135.db2.gz HUSPTRQYABXJKI-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104315719 1169907650 /nfs/dbraw/zinc/90/76/50/1169907650.db2.gz ZCIFLQIASDQELW-RRCSTGOVSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104315719 1169907656 /nfs/dbraw/zinc/90/76/56/1169907656.db2.gz ZCIFLQIASDQELW-RRCSTGOVSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)n1cc[nH+]c1 ZINC001021708986 1169908121 /nfs/dbraw/zinc/90/81/21/1169908121.db2.gz NNNONIAVNWZKCA-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001691774394 1169961685 /nfs/dbraw/zinc/96/16/85/1169961685.db2.gz SFIFZGGUPIWZFI-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001087141724 1170009341 /nfs/dbraw/zinc/00/93/41/1170009341.db2.gz UPTSTFBHRVWILT-JLSDUUJJSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001087141724 1170009346 /nfs/dbraw/zinc/00/93/46/1170009346.db2.gz UPTSTFBHRVWILT-JLSDUUJJSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)ncn1 ZINC001087141261 1170009918 /nfs/dbraw/zinc/00/99/18/1170009918.db2.gz GSLCVTJNVWJMQT-FHLIZLRMSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC001087141261 1170009921 /nfs/dbraw/zinc/00/99/21/1170009921.db2.gz GSLCVTJNVWJMQT-FHLIZLRMSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083215103 1170069655 /nfs/dbraw/zinc/06/96/55/1170069655.db2.gz IGJLOIVHCDGVCQ-BHYGNILZSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083215103 1170069662 /nfs/dbraw/zinc/06/96/62/1170069662.db2.gz IGJLOIVHCDGVCQ-BHYGNILZSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@@H+]1C ZINC001021806386 1170081718 /nfs/dbraw/zinc/08/17/18/1170081718.db2.gz QCZUFUFJQINPEQ-DZJNRPSUSA-N 2 2 373.501 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@H+]1C ZINC001021806386 1170081725 /nfs/dbraw/zinc/08/17/25/1170081725.db2.gz QCZUFUFJQINPEQ-DZJNRPSUSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1 ZINC001021938396 1170326168 /nfs/dbraw/zinc/32/61/68/1170326168.db2.gz RWBNMFOYWSLYKY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1 ZINC001021938396 1170326175 /nfs/dbraw/zinc/32/61/75/1170326175.db2.gz RWBNMFOYWSLYKY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC001021938396 1170326181 /nfs/dbraw/zinc/32/61/81/1170326181.db2.gz RWBNMFOYWSLYKY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC001021938396 1170326190 /nfs/dbraw/zinc/32/61/90/1170326190.db2.gz RWBNMFOYWSLYKY-YQQAZPJKSA-N 2 2 359.474 0.743 20 0 FCADLP CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276221566 1170360280 /nfs/dbraw/zinc/36/02/80/1170360280.db2.gz DNZQEEIUSRVKDI-LSDHHAIUSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276221566 1170360287 /nfs/dbraw/zinc/36/02/87/1170360287.db2.gz DNZQEEIUSRVKDI-LSDHHAIUSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc(=O)[nH]1 ZINC000276221566 1170360293 /nfs/dbraw/zinc/36/02/93/1170360293.db2.gz DNZQEEIUSRVKDI-LSDHHAIUSA-N 2 2 362.478 0.375 20 0 FCADLP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc(=O)[nH]1 ZINC000276221566 1170360303 /nfs/dbraw/zinc/36/03/03/1170360303.db2.gz DNZQEEIUSRVKDI-LSDHHAIUSA-N 2 2 362.478 0.375 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001087158238 1170407000 /nfs/dbraw/zinc/40/70/00/1170407000.db2.gz SOOYHUSOSIKKJI-HZSPNIEDSA-N 2 2 361.446 0.364 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219860 1170429263 /nfs/dbraw/zinc/42/92/63/1170429263.db2.gz RBDBJIHTYHKCFD-JCGIZDLHSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219860 1170429271 /nfs/dbraw/zinc/42/92/71/1170429271.db2.gz RBDBJIHTYHKCFD-JCGIZDLHSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219860 1170429275 /nfs/dbraw/zinc/42/92/75/1170429275.db2.gz RBDBJIHTYHKCFD-JCGIZDLHSA-N 2 2 362.474 0.927 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083219860 1170429288 /nfs/dbraw/zinc/42/92/88/1170429288.db2.gz RBDBJIHTYHKCFD-JCGIZDLHSA-N 2 2 362.474 0.927 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221207 1170591810 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C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CN(Cc2c[nH+]cn2C)CCO3)CC[N@@H+]1C ZINC000972389404 1172071724 /nfs/dbraw/zinc/07/17/24/1172071724.db2.gz MPBCSEBGSHGSAO-SZVBFZGTSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CN(Cc2c[nH+]cn2C)CCO3)CC[N@H+]1C ZINC000972389404 1172071737 /nfs/dbraw/zinc/07/17/37/1172071737.db2.gz MPBCSEBGSHGSAO-SZVBFZGTSA-N 2 2 361.490 0.564 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000947243657 1172073801 /nfs/dbraw/zinc/07/38/01/1172073801.db2.gz PACFYEWKPCHYBV-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000947243657 1172073811 /nfs/dbraw/zinc/07/38/11/1172073811.db2.gz PACFYEWKPCHYBV-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000947243657 1172073824 /nfs/dbraw/zinc/07/38/24/1172073824.db2.gz PACFYEWKPCHYBV-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000947243657 1172073833 /nfs/dbraw/zinc/07/38/33/1172073833.db2.gz PACFYEWKPCHYBV-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]3O)ccn12 ZINC001083461115 1192501073 /nfs/dbraw/zinc/50/10/73/1192501073.db2.gz NOZDKEKRTUQULQ-SJORKVTESA-N 2 2 368.441 0.394 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]3O)ccn12 ZINC001083461115 1192501077 /nfs/dbraw/zinc/50/10/77/1192501077.db2.gz NOZDKEKRTUQULQ-SJORKVTESA-N 2 2 368.441 0.394 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC[N@@H+]1C ZINC000972434471 1172137025 /nfs/dbraw/zinc/13/70/25/1172137025.db2.gz SYIPHRHUKZBHRZ-XLNGHYISSA-N 2 2 359.474 0.742 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC[N@H+]1C ZINC000972434471 1172137029 /nfs/dbraw/zinc/13/70/29/1172137029.db2.gz SYIPHRHUKZBHRZ-XLNGHYISSA-N 2 2 359.474 0.742 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]3O)ccn12 ZINC001083460911 1192505530 /nfs/dbraw/zinc/50/55/30/1192505530.db2.gz DZELNUWVPDXBBN-SJORKVTESA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCOC4CCC4)C[C@@H]3O)ccn12 ZINC001083460911 1192505536 /nfs/dbraw/zinc/50/55/36/1192505536.db2.gz DZELNUWVPDXBBN-SJORKVTESA-N 2 2 358.442 0.987 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000989066077 1192669820 /nfs/dbraw/zinc/66/98/20/1192669820.db2.gz COFYKZMEAWRGNT-CJNGLKHVSA-N 2 2 370.457 0.843 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001088658137 1192803040 /nfs/dbraw/zinc/80/30/40/1192803040.db2.gz KRASIKZDQBNAMD-TXCZRRACSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CC(=O)NC1CCCC1 ZINC001088658137 1192803042 /nfs/dbraw/zinc/80/30/42/1192803042.db2.gz KRASIKZDQBNAMD-TXCZRRACSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088658137 1192803045 /nfs/dbraw/zinc/80/30/45/1192803045.db2.gz KRASIKZDQBNAMD-TXCZRRACSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CC(=O)NC1CCCC1 ZINC001088658137 1192803046 /nfs/dbraw/zinc/80/30/46/1192803046.db2.gz KRASIKZDQBNAMD-TXCZRRACSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001088658261 1192803234 /nfs/dbraw/zinc/80/32/34/1192803234.db2.gz QRTCFJDGJHKQDC-KJWYOANISA-N 2 2 374.485 0.584 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001088658261 1192803237 /nfs/dbraw/zinc/80/32/37/1192803237.db2.gz QRTCFJDGJHKQDC-KJWYOANISA-N 2 2 374.485 0.584 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001088658261 1192803240 /nfs/dbraw/zinc/80/32/40/1192803240.db2.gz QRTCFJDGJHKQDC-KJWYOANISA-N 2 2 374.485 0.584 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001088658261 1192803241 /nfs/dbraw/zinc/80/32/41/1192803241.db2.gz QRTCFJDGJHKQDC-KJWYOANISA-N 2 2 374.485 0.584 20 0 FCADLP Cc1ccnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450445 1179752545 /nfs/dbraw/zinc/75/25/45/1179752545.db2.gz GAWQMQFIZVAUFW-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ccnc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450445 1179752555 /nfs/dbraw/zinc/75/25/55/1179752555.db2.gz GAWQMQFIZVAUFW-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ccnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450445 1179752561 /nfs/dbraw/zinc/75/25/61/1179752561.db2.gz GAWQMQFIZVAUFW-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ccnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450445 1179752570 /nfs/dbraw/zinc/75/25/70/1179752570.db2.gz GAWQMQFIZVAUFW-IXDOHACOSA-N 2 2 361.490 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023601771 1179911963 /nfs/dbraw/zinc/91/19/63/1179911963.db2.gz STTHLNNWXSITED-BZUAXINKSA-N 2 2 357.462 0.644 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023601771 1179911972 /nfs/dbraw/zinc/91/19/72/1179911972.db2.gz STTHLNNWXSITED-BZUAXINKSA-N 2 2 357.462 0.644 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691449172 1179995608 /nfs/dbraw/zinc/99/56/08/1179995608.db2.gz XDACXLUKIXOCIO-IAOVAPTHSA-N 2 2 364.465 0.925 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691449172 1179995615 /nfs/dbraw/zinc/99/56/15/1179995615.db2.gz XDACXLUKIXOCIO-IAOVAPTHSA-N 2 2 364.465 0.925 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CCC1 ZINC000972639215 1180096014 /nfs/dbraw/zinc/09/60/14/1180096014.db2.gz WLZFXOOQCVLWMR-GDBMZVCRSA-N 2 2 359.474 0.886 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC000972644003 1180162558 /nfs/dbraw/zinc/16/25/58/1180162558.db2.gz KHLPRQWHBAHRTA-KYJSFNMBSA-N 2 2 359.474 0.362 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000972828774 1180868260 /nfs/dbraw/zinc/86/82/60/1180868260.db2.gz UTZHCSWPKVMXIL-BRWVUGGUSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000972855637 1180899232 /nfs/dbraw/zinc/89/92/32/1180899232.db2.gz WWWFKVCYFWRGGM-IAGOWNOFSA-N 2 2 371.485 0.818 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001024165371 1180933938 /nfs/dbraw/zinc/93/39/38/1180933938.db2.gz OQDVBNTVSIAFPZ-RRFJBIMHSA-N 2 2 357.462 0.681 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)[NH+](C)C ZINC001024493018 1181240950 /nfs/dbraw/zinc/24/09/50/1181240950.db2.gz MCNATKQZHFIJNN-OWCLPIDISA-N 2 2 359.430 0.205 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782636734 1181458280 /nfs/dbraw/zinc/45/82/80/1181458280.db2.gz YFKIHYNGQIVAOF-LKUPVBHCSA-N 2 2 373.497 0.838 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782636734 1181458283 /nfs/dbraw/zinc/45/82/83/1181458283.db2.gz YFKIHYNGQIVAOF-LKUPVBHCSA-N 2 2 373.497 0.838 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CC(=O)N(C)CC ZINC001691485261 1181688760 /nfs/dbraw/zinc/68/87/60/1181688760.db2.gz CRTQBIHOTHPGIO-HYVNUMGLSA-N 2 2 361.490 0.893 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CC(=O)N(C)CC ZINC001691485261 1181688767 /nfs/dbraw/zinc/68/87/67/1181688767.db2.gz CRTQBIHOTHPGIO-HYVNUMGLSA-N 2 2 361.490 0.893 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083275408 1181848925 /nfs/dbraw/zinc/84/89/25/1181848925.db2.gz BQBJAZNFNXCIFU-RBUKOAKNSA-N 2 2 359.470 0.686 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083275408 1181848928 /nfs/dbraw/zinc/84/89/28/1181848928.db2.gz BQBJAZNFNXCIFU-RBUKOAKNSA-N 2 2 359.470 0.686 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994479 1181865427 /nfs/dbraw/zinc/86/54/27/1181865427.db2.gz LAGLWOPDHIFSJI-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994479 1181865428 /nfs/dbraw/zinc/86/54/28/1181865428.db2.gz LAGLWOPDHIFSJI-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276193 1181868382 /nfs/dbraw/zinc/86/83/82/1181868382.db2.gz QJQNNJWNZCBZAX-DLBZAZTESA-N 2 2 359.430 0.908 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276193 1181868384 /nfs/dbraw/zinc/86/83/84/1181868384.db2.gz QJQNNJWNZCBZAX-DLBZAZTESA-N 2 2 359.430 0.908 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000892613424 1181931157 /nfs/dbraw/zinc/93/11/57/1181931157.db2.gz FEUUVJGISGOTGH-DOTOQJQBSA-N 2 2 359.474 0.670 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000892613424 1181931168 /nfs/dbraw/zinc/93/11/68/1181931168.db2.gz FEUUVJGISGOTGH-DOTOQJQBSA-N 2 2 359.474 0.670 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001745328622 1181992204 /nfs/dbraw/zinc/99/22/04/1181992204.db2.gz SNUPOIBUGFUUAK-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001745328622 1181992211 /nfs/dbraw/zinc/99/22/11/1181992211.db2.gz SNUPOIBUGFUUAK-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001104619562 1182287046 /nfs/dbraw/zinc/28/70/46/1182287046.db2.gz DWQHFQZRVHLFMF-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001104619562 1182287049 /nfs/dbraw/zinc/28/70/49/1182287049.db2.gz DWQHFQZRVHLFMF-UNEWFSDZSA-N 2 2 365.478 0.178 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104665169 1182346492 /nfs/dbraw/zinc/34/64/92/1182346492.db2.gz OQOXNORVPDTPMZ-KFWWJZLASA-N 2 2 361.490 0.992 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729620 1182401692 /nfs/dbraw/zinc/40/16/92/1182401692.db2.gz XCEIHNZUKHLGIE-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000892757736 1182478986 /nfs/dbraw/zinc/47/89/86/1182478986.db2.gz GRWCEORKNIWESL-IRXDYDNUSA-N 2 2 366.506 0.651 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284196 1182517527 /nfs/dbraw/zinc/51/75/27/1182517527.db2.gz WJZRMNKOYWUMBB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284196 1182517535 /nfs/dbraw/zinc/51/75/35/1182517535.db2.gz WJZRMNKOYWUMBB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CC(=O)OC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000892885884 1182561146 /nfs/dbraw/zinc/56/11/46/1182561146.db2.gz KDFOEPMDJLPWRV-ZBFHGGJFSA-N 2 2 363.462 0.823 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815055 1182859307 /nfs/dbraw/zinc/85/93/07/1182859307.db2.gz JKWMGFIMYWZEJU-QQURXWMSSA-N 2 2 371.485 0.959 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001025815055 1182859310 /nfs/dbraw/zinc/85/93/10/1182859310.db2.gz JKWMGFIMYWZEJU-QQURXWMSSA-N 2 2 371.485 0.959 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815055 1182859311 /nfs/dbraw/zinc/85/93/11/1182859311.db2.gz JKWMGFIMYWZEJU-QQURXWMSSA-N 2 2 371.485 0.959 20 0 FCADLP CC(C)(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1=O ZINC001025815055 1182859313 /nfs/dbraw/zinc/85/93/13/1182859313.db2.gz JKWMGFIMYWZEJU-QQURXWMSSA-N 2 2 371.485 0.959 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104776028 1182915191 /nfs/dbraw/zinc/91/51/91/1182915191.db2.gz VNGFCDLASVQOQO-RBSFLKMASA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104776028 1182915200 /nfs/dbraw/zinc/91/52/00/1182915200.db2.gz VNGFCDLASVQOQO-RBSFLKMASA-N 2 2 361.490 0.941 20 0 FCADLP COCCOC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836293 1182943141 /nfs/dbraw/zinc/94/31/41/1182943141.db2.gz FFHGHTGPWCDUEO-OAGGEKHMSA-N 2 2 368.478 0.050 20 0 FCADLP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)c1nncn1C ZINC001104908182 1182990800 /nfs/dbraw/zinc/99/08/00/1182990800.db2.gz MMXGCPIVQJEGOZ-RBSFLKMASA-N 2 2 359.478 0.927 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104908790 1182990936 /nfs/dbraw/zinc/99/09/36/1182990936.db2.gz KWFXZQDEEYABNU-CHWSQXEVSA-N 2 2 360.466 0.485 20 0 FCADLP CCOCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101406 1183122055 /nfs/dbraw/zinc/12/20/55/1183122055.db2.gz KCOJHBZOYSVXEP-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP CCCn1nnnc1C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105102050 1183122209 /nfs/dbraw/zinc/12/22/09/1183122209.db2.gz WUOCGFYWIXPUEW-HUUCEWRRSA-N 2 2 360.466 0.554 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)NCC[NH+]1CCCCC1 ZINC000909327747 1183216936 /nfs/dbraw/zinc/21/69/36/1183216936.db2.gz XRTQHCLGCKYREV-SFHVURJKSA-N 2 2 373.501 0.764 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)NCC[NH+]1CCCCC1 ZINC000909327747 1183216949 /nfs/dbraw/zinc/21/69/49/1183216949.db2.gz XRTQHCLGCKYREV-SFHVURJKSA-N 2 2 373.501 0.764 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1 ZINC000974587606 1183354461 /nfs/dbraw/zinc/35/44/61/1183354461.db2.gz PJJQIWJLNBXJDX-BFYDXBDKSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1 ZINC000974587606 1183354468 /nfs/dbraw/zinc/35/44/68/1183354468.db2.gz PJJQIWJLNBXJDX-BFYDXBDKSA-N 2 2 359.474 0.364 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)CC2(C)C)CC[N@@H+]1C ZINC000974599591 1183377659 /nfs/dbraw/zinc/37/76/59/1183377659.db2.gz OFAIQFJXULHLMT-BFHYXJOUSA-N 2 2 364.494 0.165 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3nc(=O)n(C)[nH]3)CC2(C)C)CC[N@H+]1C ZINC000974599591 1183377669 /nfs/dbraw/zinc/37/76/69/1183377669.db2.gz OFAIQFJXULHLMT-BFHYXJOUSA-N 2 2 364.494 0.165 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC2(C)C)CC[NH+]1C ZINC000974599591 1183377674 /nfs/dbraw/zinc/37/76/74/1183377674.db2.gz OFAIQFJXULHLMT-BFHYXJOUSA-N 2 2 364.494 0.165 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2(C)C)CC[NH+]1C ZINC000974599591 1183377681 /nfs/dbraw/zinc/37/76/81/1183377681.db2.gz OFAIQFJXULHLMT-BFHYXJOUSA-N 2 2 364.494 0.165 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001691490803 1183386932 /nfs/dbraw/zinc/38/69/32/1183386932.db2.gz ICBRTPUYZPMSNJ-YESZJQIVSA-N 2 2 360.462 0.500 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC001691490803 1183386941 /nfs/dbraw/zinc/38/69/41/1183386941.db2.gz ICBRTPUYZPMSNJ-YESZJQIVSA-N 2 2 360.462 0.500 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000974624942 1183389367 /nfs/dbraw/zinc/38/93/67/1183389367.db2.gz BMFLDGWAJFUJJX-HZPDHXFCSA-N 2 2 357.458 0.428 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000974692857 1183451061 /nfs/dbraw/zinc/45/10/61/1183451061.db2.gz KMDLCBVKIKKHKX-YSVLISHTSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21 ZINC000974692857 1183451079 /nfs/dbraw/zinc/45/10/79/1183451079.db2.gz KMDLCBVKIKKHKX-YSVLISHTSA-N 2 2 359.474 0.662 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975417842 1183861858 /nfs/dbraw/zinc/86/18/58/1183861858.db2.gz MFHNRIFHEGOMOI-CZUORRHYSA-N 2 2 371.441 0.980 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425307 1183866704 /nfs/dbraw/zinc/86/67/04/1183866704.db2.gz SLVWLOUTCROEBP-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975425307 1183866705 /nfs/dbraw/zinc/86/67/05/1183866705.db2.gz SLVWLOUTCROEBP-DJIMGWMZSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975683468 1184038667 /nfs/dbraw/zinc/03/86/67/1184038667.db2.gz LQSVVKCMHLLDKQ-HOTGVXAUSA-N 2 2 359.474 0.888 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000975815495 1185808488 /nfs/dbraw/zinc/80/84/88/1185808488.db2.gz FHBXRVIFMFFJTM-RDJZCZTQSA-N 2 2 370.457 0.617 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC000975843089 1185824528 /nfs/dbraw/zinc/82/45/28/1185824528.db2.gz YGYLEFRCCKMLDR-RDJZCZTQSA-N 2 2 359.474 0.806 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000978705405 1185993373 /nfs/dbraw/zinc/99/33/73/1185993373.db2.gz BGTGYTZOBJDDEF-HHARLNAUSA-N 2 2 354.458 0.714 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000978705405 1185993378 /nfs/dbraw/zinc/99/33/78/1185993378.db2.gz BGTGYTZOBJDDEF-HHARLNAUSA-N 2 2 354.458 0.714 20 0 FCADLP COc1nccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966996 1186243438 /nfs/dbraw/zinc/24/34/38/1186243438.db2.gz ZLEXPARRHCDYHY-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1nccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966996 1186243444 /nfs/dbraw/zinc/24/34/44/1186243444.db2.gz ZLEXPARRHCDYHY-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1nccc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027966996 1186243450 /nfs/dbraw/zinc/24/34/50/1186243450.db2.gz ZLEXPARRHCDYHY-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1nccc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027966996 1186243457 /nfs/dbraw/zinc/24/34/57/1186243457.db2.gz ZLEXPARRHCDYHY-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435387 1186416979 /nfs/dbraw/zinc/41/69/79/1186416979.db2.gz GMYSQNIOYPSGQB-RHSMWYFYSA-N 2 2 364.494 0.148 20 0 FCADLP Cc1nc(C)n(CC[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435387 1186416985 /nfs/dbraw/zinc/41/69/85/1186416985.db2.gz GMYSQNIOYPSGQB-RHSMWYFYSA-N 2 2 364.494 0.148 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435387 1186416991 /nfs/dbraw/zinc/41/69/91/1186416991.db2.gz GMYSQNIOYPSGQB-RHSMWYFYSA-N 2 2 364.494 0.148 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000981435387 1186416994 /nfs/dbraw/zinc/41/69/94/1186416994.db2.gz GMYSQNIOYPSGQB-RHSMWYFYSA-N 2 2 364.494 0.148 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCCC1 ZINC001028146165 1186553782 /nfs/dbraw/zinc/55/37/82/1186553782.db2.gz XPYCXAPSLMVKRB-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)N1CCCC1 ZINC001028146165 1186553785 /nfs/dbraw/zinc/55/37/85/1186553785.db2.gz XPYCXAPSLMVKRB-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007103 1186621900 /nfs/dbraw/zinc/62/19/00/1186621900.db2.gz UPXBKVDBOFOLKV-NXHRZFHOSA-N 2 2 358.486 0.740 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007103 1186621907 /nfs/dbraw/zinc/62/19/07/1186621907.db2.gz UPXBKVDBOFOLKV-NXHRZFHOSA-N 2 2 358.486 0.740 20 0 FCADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007103 1186621911 /nfs/dbraw/zinc/62/19/11/1186621911.db2.gz UPXBKVDBOFOLKV-NXHRZFHOSA-N 2 2 358.486 0.740 20 0 FCADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007103 1186621916 /nfs/dbraw/zinc/62/19/16/1186621916.db2.gz UPXBKVDBOFOLKV-NXHRZFHOSA-N 2 2 358.486 0.740 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCn1cncn1)C2 ZINC000982022087 1186630386 /nfs/dbraw/zinc/63/03/86/1186630386.db2.gz PFUJHFCUGYVYEW-HZPDHXFCSA-N 2 2 369.473 0.740 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCn1cncn1)C2 ZINC000982022087 1186630389 /nfs/dbraw/zinc/63/03/89/1186630389.db2.gz PFUJHFCUGYVYEW-HZPDHXFCSA-N 2 2 369.473 0.740 20 0 FCADLP CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@H+](C)CC1 ZINC000893699480 1186665043 /nfs/dbraw/zinc/66/50/43/1186665043.db2.gz NAHDMLWDYDKDHP-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[N@@H+](C)CC1 ZINC000893699480 1186665047 /nfs/dbraw/zinc/66/50/47/1186665047.db2.gz NAHDMLWDYDKDHP-QZTJIDSGSA-N 2 2 367.538 0.519 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000549787337 1187525956 /nfs/dbraw/zinc/52/59/56/1187525956.db2.gz WOGOZZTWKUJVEU-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)o1 ZINC001075643695 1187566362 /nfs/dbraw/zinc/56/63/62/1187566362.db2.gz IECFOULNRKRDQH-UXLLHSPISA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)o1 ZINC001075643695 1187566369 /nfs/dbraw/zinc/56/63/69/1187566369.db2.gz IECFOULNRKRDQH-UXLLHSPISA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)o1 ZINC001075643695 1187566374 /nfs/dbraw/zinc/56/63/74/1187566374.db2.gz IECFOULNRKRDQH-UXLLHSPISA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)o1 ZINC001075643695 1187566377 /nfs/dbraw/zinc/56/63/77/1187566377.db2.gz IECFOULNRKRDQH-UXLLHSPISA-N 2 2 362.474 0.909 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372842 1187693487 /nfs/dbraw/zinc/69/34/87/1187693487.db2.gz HKEBRZIZENOOBG-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372842 1187693491 /nfs/dbraw/zinc/69/34/91/1187693491.db2.gz HKEBRZIZENOOBG-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372842 1187693494 /nfs/dbraw/zinc/69/34/94/1187693494.db2.gz HKEBRZIZENOOBG-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372842 1187693496 /nfs/dbraw/zinc/69/34/96/1187693496.db2.gz HKEBRZIZENOOBG-SQNIBIBYSA-N 2 2 361.486 0.938 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373031 1187695347 /nfs/dbraw/zinc/69/53/47/1187695347.db2.gz OXLDQJNEIPNCFG-QYZOEREBSA-N 2 2 359.470 0.515 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373031 1187695355 /nfs/dbraw/zinc/69/53/55/1187695355.db2.gz OXLDQJNEIPNCFG-QYZOEREBSA-N 2 2 359.470 0.515 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373031 1187695361 /nfs/dbraw/zinc/69/53/61/1187695361.db2.gz OXLDQJNEIPNCFG-QYZOEREBSA-N 2 2 359.470 0.515 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001083373031 1187695366 /nfs/dbraw/zinc/69/53/66/1187695366.db2.gz OXLDQJNEIPNCFG-QYZOEREBSA-N 2 2 359.470 0.515 20 0 FCADLP CCCn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628893 1187757549 /nfs/dbraw/zinc/75/75/49/1187757549.db2.gz BESBIIYYIDKSTJ-BZUAXINKSA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028628893 1187757556 /nfs/dbraw/zinc/75/75/56/1187757556.db2.gz BESBIIYYIDKSTJ-BZUAXINKSA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028628893 1187757564 /nfs/dbraw/zinc/75/75/64/1187757564.db2.gz BESBIIYYIDKSTJ-BZUAXINKSA-N 2 2 364.494 0.345 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628893 1187757570 /nfs/dbraw/zinc/75/75/70/1187757570.db2.gz BESBIIYYIDKSTJ-BZUAXINKSA-N 2 2 364.494 0.345 20 0 FCADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001269494216 1187852782 /nfs/dbraw/zinc/85/27/82/1187852782.db2.gz URBQMEQEWCFZHZ-SJORKVTESA-N 2 2 368.485 0.899 20 0 FCADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001269494216 1187852784 /nfs/dbraw/zinc/85/27/84/1187852784.db2.gz URBQMEQEWCFZHZ-SJORKVTESA-N 2 2 368.485 0.899 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810914 1187907614 /nfs/dbraw/zinc/90/76/14/1187907614.db2.gz FJANGUWMTIUWBV-FVQBIDKESA-N 2 2 357.462 0.773 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810914 1187907618 /nfs/dbraw/zinc/90/76/18/1187907618.db2.gz FJANGUWMTIUWBV-FVQBIDKESA-N 2 2 357.462 0.773 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028810906 1187907837 /nfs/dbraw/zinc/90/78/37/1187907837.db2.gz DWSGZKLBEWJJIX-BRWVUGGUSA-N 2 2 371.489 0.870 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028810906 1187907838 /nfs/dbraw/zinc/90/78/38/1187907838.db2.gz DWSGZKLBEWJJIX-BRWVUGGUSA-N 2 2 371.489 0.870 20 0 FCADLP CC[N@H+](C)CC(=O)N1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001270175184 1188040734 /nfs/dbraw/zinc/04/07/34/1188040734.db2.gz CAJFNUAWULQXGX-SFHVURJKSA-N 2 2 361.446 0.203 20 0 FCADLP CC[N@@H+](C)CC(=O)N1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001270175184 1188040737 /nfs/dbraw/zinc/04/07/37/1188040737.db2.gz CAJFNUAWULQXGX-SFHVURJKSA-N 2 2 361.446 0.203 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)cc1=O ZINC001075744523 1188061065 /nfs/dbraw/zinc/06/10/65/1188061065.db2.gz UFFIBROVZZSDCN-JKSUJKDBSA-N 2 2 355.442 0.774 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)cc1=O ZINC001075744523 1188061074 /nfs/dbraw/zinc/06/10/74/1188061074.db2.gz UFFIBROVZZSDCN-JKSUJKDBSA-N 2 2 355.442 0.774 20 0 FCADLP C[NH+](C)CCN1C[C@@H]2CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C[C@H](C1)O2 ZINC001270272730 1188073780 /nfs/dbraw/zinc/07/37/80/1188073780.db2.gz RWQLKUMLARFFDC-OKILXGFUSA-N 2 2 358.446 0.232 20 0 FCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4c[nH]c5cc[nH+]cc45)CC3)[C@@H]2C1 ZINC001270286611 1188080993 /nfs/dbraw/zinc/08/09/93/1188080993.db2.gz SCLGXFJXEGXPRF-HUUCEWRRSA-N 2 2 353.426 0.845 20 0 FCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4c[nH]c5cc[nH+]cc45)CC3)[C@@H]2C1 ZINC001270286611 1188080997 /nfs/dbraw/zinc/08/09/97/1188080997.db2.gz SCLGXFJXEGXPRF-HUUCEWRRSA-N 2 2 353.426 0.845 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001270329755 1188097903 /nfs/dbraw/zinc/09/79/03/1188097903.db2.gz RGSXLOKOHJWTBO-AUUYWEPGSA-N 2 2 359.474 0.842 20 0 FCADLP C[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332495 1188100361 /nfs/dbraw/zinc/10/03/61/1188100361.db2.gz KIGYLVLBAFLVSN-VQIMIIECSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332495 1188100366 /nfs/dbraw/zinc/10/03/66/1188100366.db2.gz KIGYLVLBAFLVSN-VQIMIIECSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H](C(=O)N1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1)[NH+]1CCCC1 ZINC001270488326 1188170626 /nfs/dbraw/zinc/17/06/26/1188170626.db2.gz BQHZXUONMICIIE-HNAYVOBHSA-N 2 2 359.474 0.855 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O)[NH+]1CCCC1 ZINC001270490757 1188171047 /nfs/dbraw/zinc/17/10/47/1188171047.db2.gz RBMBGYSDTINTBK-HNAYVOBHSA-N 2 2 359.474 0.998 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CCN(CCn4cc[nH+]c4)C3=O)CC2)C1 ZINC001270491151 1188172591 /nfs/dbraw/zinc/17/25/91/1188172591.db2.gz VHHQNMVBQDFMIQ-MRXNPFEDSA-N 2 2 359.474 0.676 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC3(CCN(CCn4cc[nH+]c4)C3=O)CC2)C1 ZINC001270491151 1188172594 /nfs/dbraw/zinc/17/25/94/1188172594.db2.gz VHHQNMVBQDFMIQ-MRXNPFEDSA-N 2 2 359.474 0.676 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1)[NH+]1CCCC1 ZINC001270490555 1188174379 /nfs/dbraw/zinc/17/43/79/1188174379.db2.gz NDCHGQXXUXCWKZ-LPHOPBHVSA-N 2 2 359.474 0.818 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)([NH+]2CCOCC2)C1 ZINC000894465266 1188220955 /nfs/dbraw/zinc/22/09/55/1188220955.db2.gz JWWSRXUMSCNPNQ-MUYFXNHWSA-N 2 2 368.522 0.897 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@H+]2CC[C@H](C)C2)([NH+]2CCOCC2)C1 ZINC000894465266 1188220960 /nfs/dbraw/zinc/22/09/60/1188220960.db2.gz JWWSRXUMSCNPNQ-MUYFXNHWSA-N 2 2 368.522 0.897 20 0 FCADLP CN(C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2)C1CC1 ZINC001112536225 1188354585 /nfs/dbraw/zinc/35/45/85/1188354585.db2.gz XWVCROIGQMXURV-LIRRHRJNSA-N 2 2 359.474 0.791 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000550407834 1188354912 /nfs/dbraw/zinc/35/49/12/1188354912.db2.gz JIVLYWJPSLFCTM-QGZVFWFLSA-N 2 2 362.474 0.578 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(OC)ccn1 ZINC001087529111 1189383412 /nfs/dbraw/zinc/38/34/12/1189383412.db2.gz QGENFKAOWREUJN-RCCFBDPRSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(OC)ccn1 ZINC001087529111 1189383413 /nfs/dbraw/zinc/38/34/13/1189383413.db2.gz QGENFKAOWREUJN-RCCFBDPRSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(OC)ccn1 ZINC001087529111 1189383419 /nfs/dbraw/zinc/38/34/19/1189383419.db2.gz QGENFKAOWREUJN-RCCFBDPRSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(OC)ccn1 ZINC001087529111 1189383424 /nfs/dbraw/zinc/38/34/24/1189383424.db2.gz QGENFKAOWREUJN-RCCFBDPRSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001087528786 1189383589 /nfs/dbraw/zinc/38/35/89/1189383589.db2.gz AHOALIFIPOKADW-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001087528786 1189383595 /nfs/dbraw/zinc/38/35/95/1189383595.db2.gz AHOALIFIPOKADW-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087528786 1189383602 /nfs/dbraw/zinc/38/36/02/1189383602.db2.gz AHOALIFIPOKADW-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001087528786 1189383603 /nfs/dbraw/zinc/38/36/03/1189383603.db2.gz AHOALIFIPOKADW-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccnc1OC ZINC001087529894 1189385332 /nfs/dbraw/zinc/38/53/32/1189385332.db2.gz YDJAFXJKKRTDDQ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccnc1OC ZINC001087529894 1189385337 /nfs/dbraw/zinc/38/53/37/1189385337.db2.gz YDJAFXJKKRTDDQ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccnc1OC ZINC001087529894 1189385342 /nfs/dbraw/zinc/38/53/42/1189385342.db2.gz YDJAFXJKKRTDDQ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccnc1OC ZINC001087529894 1189385347 /nfs/dbraw/zinc/38/53/47/1189385347.db2.gz YDJAFXJKKRTDDQ-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCN(C(=O)CC[NH+]3CCCC3)C2)C1=O ZINC001271061380 1189546275 /nfs/dbraw/zinc/54/62/75/1189546275.db2.gz MPPRFSHYXKSKBS-LJQANCHMSA-N 2 2 359.474 0.857 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)CC[NH+]2CCCC2)C1=O ZINC001271061435 1189547152 /nfs/dbraw/zinc/54/71/52/1189547152.db2.gz OKXQRMOAHOIJRJ-LJQANCHMSA-N 2 2 359.474 1.000 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCn1cncn1 ZINC001087730218 1189805809 /nfs/dbraw/zinc/80/58/09/1189805809.db2.gz UDTPTPZLNOGGJC-LVQVYYBASA-N 2 2 357.462 0.784 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCn1cncn1 ZINC001087730218 1189805810 /nfs/dbraw/zinc/80/58/10/1189805810.db2.gz UDTPTPZLNOGGJC-LVQVYYBASA-N 2 2 357.462 0.784 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCN1CCNC1=O ZINC001087731980 1189805985 /nfs/dbraw/zinc/80/59/85/1189805985.db2.gz UUOAKZQNJOXKCI-LVQVYYBASA-N 2 2 374.489 0.518 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCN1CCNC1=O ZINC001087731980 1189805986 /nfs/dbraw/zinc/80/59/86/1189805986.db2.gz UUOAKZQNJOXKCI-LVQVYYBASA-N 2 2 374.489 0.518 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@H]1CCNC(=O)CC1 ZINC001087797857 1189828500 /nfs/dbraw/zinc/82/85/00/1189828500.db2.gz MDKTZWHCWLPYBX-HYVNUMGLSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@H]1CCNC(=O)CC1 ZINC001087797857 1189828501 /nfs/dbraw/zinc/82/85/01/1189828501.db2.gz MDKTZWHCWLPYBX-HYVNUMGLSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1nc(CCOC)no1 ZINC001087828602 1189841753 /nfs/dbraw/zinc/84/17/53/1189841753.db2.gz PSGBFERKFOVGDE-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1nc(CCOC)no1 ZINC001087828602 1189841755 /nfs/dbraw/zinc/84/17/55/1189841755.db2.gz PSGBFERKFOVGDE-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1nc(CCOC)no1 ZINC001087828602 1189841756 /nfs/dbraw/zinc/84/17/56/1189841756.db2.gz PSGBFERKFOVGDE-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1nc(CCOC)no1 ZINC001087828602 1189841762 /nfs/dbraw/zinc/84/17/62/1189841762.db2.gz PSGBFERKFOVGDE-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087950459 1189980106 /nfs/dbraw/zinc/98/01/06/1189980106.db2.gz TYBDZHXDIFEVIF-OWCLPIDISA-N 2 2 369.473 0.902 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001087950459 1189980112 /nfs/dbraw/zinc/98/01/12/1189980112.db2.gz TYBDZHXDIFEVIF-OWCLPIDISA-N 2 2 369.473 0.902 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001087973205 1190033710 /nfs/dbraw/zinc/03/37/10/1190033710.db2.gz OLJCTAOWBLKIMW-ZNMIVQPWSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001087973205 1190033718 /nfs/dbraw/zinc/03/37/18/1190033718.db2.gz OLJCTAOWBLKIMW-ZNMIVQPWSA-N 2 2 359.474 0.416 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994954 1190148697 /nfs/dbraw/zinc/14/86/97/1190148697.db2.gz LSKCXWJQTVXQAT-ZNMIVQPWSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994954 1190148699 /nfs/dbraw/zinc/14/86/99/1190148699.db2.gz LSKCXWJQTVXQAT-ZNMIVQPWSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994954 1190148702 /nfs/dbraw/zinc/14/87/02/1190148702.db2.gz LSKCXWJQTVXQAT-ZNMIVQPWSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@@H](c1nnnn1C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994954 1190148705 /nfs/dbraw/zinc/14/87/05/1190148705.db2.gz LSKCXWJQTVXQAT-ZNMIVQPWSA-N 2 2 361.494 0.536 20 0 FCADLP CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000984824318 1190162927 /nfs/dbraw/zinc/16/29/27/1190162927.db2.gz KNQXSQLKSPRMCU-RRCSTGOVSA-N 2 2 357.462 0.820 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999738 1190170713 /nfs/dbraw/zinc/17/07/13/1190170713.db2.gz XZMMRVDFXLMZJZ-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999738 1190170715 /nfs/dbraw/zinc/17/07/15/1190170715.db2.gz XZMMRVDFXLMZJZ-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999738 1190170718 /nfs/dbraw/zinc/17/07/18/1190170718.db2.gz XZMMRVDFXLMZJZ-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999738 1190170719 /nfs/dbraw/zinc/17/07/19/1190170719.db2.gz XZMMRVDFXLMZJZ-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(COC)no3)CC[C@@H]2C1)[NH+](C)C ZINC001088011120 1190209764 /nfs/dbraw/zinc/20/97/64/1190209764.db2.gz YXGBSGHZYUTPEZ-QLFBSQMISA-N 2 2 365.478 0.837 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nc(COC)no3)CC[C@@H]2C1)[NH+](C)C ZINC001088011120 1190209770 /nfs/dbraw/zinc/20/97/70/1190209770.db2.gz YXGBSGHZYUTPEZ-QLFBSQMISA-N 2 2 365.478 0.837 20 0 FCADLP Cc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012016 1190210459 /nfs/dbraw/zinc/21/04/59/1190210459.db2.gz OOBKUOGOEKHTOG-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012016 1190210466 /nfs/dbraw/zinc/21/04/66/1190210466.db2.gz OOBKUOGOEKHTOG-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012016 1190210471 /nfs/dbraw/zinc/21/04/71/1190210471.db2.gz OOBKUOGOEKHTOG-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012016 1190210473 /nfs/dbraw/zinc/21/04/73/1190210473.db2.gz OOBKUOGOEKHTOG-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nc1 ZINC001088011826 1190211081 /nfs/dbraw/zinc/21/10/81/1190211081.db2.gz FYHZDGXUVBTHRV-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nc1 ZINC001088011826 1190211087 /nfs/dbraw/zinc/21/10/87/1190211087.db2.gz FYHZDGXUVBTHRV-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nc1 ZINC001088011826 1190211095 /nfs/dbraw/zinc/21/10/95/1190211095.db2.gz FYHZDGXUVBTHRV-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)nc1 ZINC001088011826 1190211101 /nfs/dbraw/zinc/21/11/01/1190211101.db2.gz FYHZDGXUVBTHRV-ZJPYXAASSA-N 2 2 373.501 0.784 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088019071 1190232534 /nfs/dbraw/zinc/23/25/34/1190232534.db2.gz VUUJNDIUGKSDAG-IKGGRYGDSA-N 2 2 369.473 0.518 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088019071 1190232539 /nfs/dbraw/zinc/23/25/39/1190232539.db2.gz VUUJNDIUGKSDAG-IKGGRYGDSA-N 2 2 369.473 0.518 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088102061 1190583961 /nfs/dbraw/zinc/58/39/61/1190583961.db2.gz NBEFGOCFHFQCTL-OWCLPIDISA-N 2 2 369.473 0.902 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088102061 1190583966 /nfs/dbraw/zinc/58/39/66/1190583966.db2.gz NBEFGOCFHFQCTL-OWCLPIDISA-N 2 2 369.473 0.902 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)NC1CC1 ZINC001088102230 1190585528 /nfs/dbraw/zinc/58/55/28/1190585528.db2.gz VIHBSHDBEMEDNL-IJEWVQPXSA-N 2 2 371.485 0.889 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)NC1CC1 ZINC001088102230 1190585539 /nfs/dbraw/zinc/58/55/39/1190585539.db2.gz VIHBSHDBEMEDNL-IJEWVQPXSA-N 2 2 371.485 0.889 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121283 1190614588 /nfs/dbraw/zinc/61/45/88/1190614588.db2.gz XXXZOBKJXOHRCP-CABCVRRESA-N 2 2 357.462 0.853 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121283 1190614595 /nfs/dbraw/zinc/61/45/95/1190614595.db2.gz XXXZOBKJXOHRCP-CABCVRRESA-N 2 2 357.462 0.853 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124432 1190617194 /nfs/dbraw/zinc/61/71/94/1190617194.db2.gz MAOCMSSJETZYND-XHSDSOJGSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124432 1190617197 /nfs/dbraw/zinc/61/71/97/1190617197.db2.gz MAOCMSSJETZYND-XHSDSOJGSA-N 2 2 359.474 0.893 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000985578254 1190715589 /nfs/dbraw/zinc/71/55/89/1190715589.db2.gz DRJPDBRQVJHIHQ-YESZJQIVSA-N 2 2 359.474 0.790 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075866773 1190718219 /nfs/dbraw/zinc/71/82/19/1190718219.db2.gz RCPZRMHHMTXCJG-BHYGNILZSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075866773 1190718221 /nfs/dbraw/zinc/71/82/21/1190718221.db2.gz RCPZRMHHMTXCJG-BHYGNILZSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075866773 1190718225 /nfs/dbraw/zinc/71/82/25/1190718225.db2.gz RCPZRMHHMTXCJG-BHYGNILZSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075866773 1190718230 /nfs/dbraw/zinc/71/82/30/1190718230.db2.gz RCPZRMHHMTXCJG-BHYGNILZSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001075866864 1190720021 /nfs/dbraw/zinc/72/00/21/1190720021.db2.gz VUQPIVDTLBFRPI-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001075866864 1190720024 /nfs/dbraw/zinc/72/00/24/1190720024.db2.gz VUQPIVDTLBFRPI-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001075866864 1190720028 /nfs/dbraw/zinc/72/00/28/1190720028.db2.gz VUQPIVDTLBFRPI-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001075866864 1190720031 /nfs/dbraw/zinc/72/00/31/1190720031.db2.gz VUQPIVDTLBFRPI-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)CC(=O)N2CCC2)CC1 ZINC000985667350 1190760148 /nfs/dbraw/zinc/76/01/48/1190760148.db2.gz QBKOMWBKDWNMFE-HZPDHXFCSA-N 2 2 359.474 0.679 20 0 FCADLP Cn1cnnc1CN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756558 1224112237 /nfs/dbraw/zinc/11/22/37/1224112237.db2.gz VMSHNHXFGKYWJS-GOSISDBHSA-N 2 2 360.462 0.250 20 0 FCADLP Cn1cnnc1CN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276756558 1224112239 /nfs/dbraw/zinc/11/22/39/1224112239.db2.gz VMSHNHXFGKYWJS-GOSISDBHSA-N 2 2 360.462 0.250 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986021655 1190866643 /nfs/dbraw/zinc/86/66/43/1190866643.db2.gz XFGOAUKLHJMSKX-CVEARBPZSA-N 2 2 370.457 0.854 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000986019365 1190867305 /nfs/dbraw/zinc/86/73/05/1190867305.db2.gz DJQUJTBSDPOVTF-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)CC[N@@H+]1C ZINC000986193791 1190918604 /nfs/dbraw/zinc/91/86/04/1190918604.db2.gz MAQLBFSZRTVJNF-ZJPYXAASSA-N 2 2 373.501 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]3C2)CC[N@H+]1C ZINC000986193791 1190918606 /nfs/dbraw/zinc/91/86/06/1190918606.db2.gz MAQLBFSZRTVJNF-ZJPYXAASSA-N 2 2 373.501 0.920 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)Cn2cc[nH+]c2)CC3)CC1 ZINC001272021923 1190949823 /nfs/dbraw/zinc/94/98/23/1190949823.db2.gz KXXMTIMWSNTIIU-INIZCTEOSA-N 2 2 359.474 0.722 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)CC[C@@H]3C2)CC1 ZINC000986331981 1190958216 /nfs/dbraw/zinc/95/82/16/1190958216.db2.gz CRSHJFCPPBDEBR-SJORKVTESA-N 2 2 359.474 0.532 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986339422 1190960007 /nfs/dbraw/zinc/96/00/07/1190960007.db2.gz PFSSINXOMWXFBM-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986339422 1190960012 /nfs/dbraw/zinc/96/00/12/1190960012.db2.gz PFSSINXOMWXFBM-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986576868 1191044523 /nfs/dbraw/zinc/04/45/23/1191044523.db2.gz KYSYUMRUFJJXLN-XHSDSOJGSA-N 2 2 359.474 0.743 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)N1CCCC1 ZINC001075883277 1191065290 /nfs/dbraw/zinc/06/52/90/1191065290.db2.gz WHOHPBPQQMQHPO-YESZJQIVSA-N 2 2 371.485 0.916 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)N1CCCC1 ZINC001075883277 1191065292 /nfs/dbraw/zinc/06/52/92/1191065292.db2.gz WHOHPBPQQMQHPO-YESZJQIVSA-N 2 2 371.485 0.916 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)C1CC1 ZINC000986764183 1191095048 /nfs/dbraw/zinc/09/50/48/1191095048.db2.gz FCANKCDMSLAFJV-RVKKMQEKSA-N 2 2 359.474 0.599 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000988110519 1191150640 /nfs/dbraw/zinc/15/06/40/1191150640.db2.gz RCUHYHHMRMHLLJ-KMFMINBZSA-N 2 2 370.457 0.756 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000988155882 1191151803 /nfs/dbraw/zinc/15/18/03/1191151803.db2.gz BZILMIHWXLAXIQ-IXDOHACOSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000988155882 1191151804 /nfs/dbraw/zinc/15/18/04/1191151804.db2.gz BZILMIHWXLAXIQ-IXDOHACOSA-N 2 2 361.490 0.920 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC000988199014 1191161673 /nfs/dbraw/zinc/16/16/73/1191161673.db2.gz VCMIYNCOCIWHNS-BMFZPTHFSA-N 2 2 359.474 0.708 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000988316610 1191177480 /nfs/dbraw/zinc/17/74/80/1191177480.db2.gz QTUSPNSQSUSVDJ-FPCVCCKLSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000988316610 1191177483 /nfs/dbraw/zinc/17/74/83/1191177483.db2.gz QTUSPNSQSUSVDJ-FPCVCCKLSA-N 2 2 361.490 0.799 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218195679 1224146617 /nfs/dbraw/zinc/14/66/17/1224146617.db2.gz INQIWLHPURDQCP-RYQLBKOJSA-N 2 2 362.474 0.782 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218195679 1224146618 /nfs/dbraw/zinc/14/66/18/1224146618.db2.gz INQIWLHPURDQCP-RYQLBKOJSA-N 2 2 362.474 0.782 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363470 1224156080 /nfs/dbraw/zinc/15/60/80/1224156080.db2.gz USNZBKYJSMZVNL-HRCADAONSA-N 2 2 366.506 0.297 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363470 1224156081 /nfs/dbraw/zinc/15/60/81/1224156081.db2.gz USNZBKYJSMZVNL-HRCADAONSA-N 2 2 366.506 0.297 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363623 1224156393 /nfs/dbraw/zinc/15/63/93/1224156393.db2.gz XULMKSFULKTNPK-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363623 1224156401 /nfs/dbraw/zinc/15/64/01/1224156401.db2.gz XULMKSFULKTNPK-JKSUJKDBSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001691586925 1193744623 /nfs/dbraw/zinc/74/46/23/1193744623.db2.gz UJECBXTYFTWALQ-SJORKVTESA-N 2 2 359.474 0.532 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001691586925 1193744628 /nfs/dbraw/zinc/74/46/28/1193744628.db2.gz UJECBXTYFTWALQ-SJORKVTESA-N 2 2 359.474 0.532 20 0 FCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncnc1[C@H]1CN(Cc2ccccc2)CCO1 ZINC001218536830 1224169681 /nfs/dbraw/zinc/16/96/81/1224169681.db2.gz OYBPTCWUDYEFIA-DOTOQJQBSA-N 2 2 370.457 0.665 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550900187 1193819290 /nfs/dbraw/zinc/81/92/90/1193819290.db2.gz LRSURRMQTYIXAX-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550900187 1193819292 /nfs/dbraw/zinc/81/92/92/1193819292.db2.gz LRSURRMQTYIXAX-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550900187 1193819294 /nfs/dbraw/zinc/81/92/94/1193819294.db2.gz LRSURRMQTYIXAX-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550900187 1193819295 /nfs/dbraw/zinc/81/92/95/1193819295.db2.gz LRSURRMQTYIXAX-XHSDSOJGSA-N 2 2 366.506 0.155 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)o1 ZINC001083466202 1193819428 /nfs/dbraw/zinc/81/94/28/1193819428.db2.gz KPBHHAZWPUVQTO-XHSDSOJGSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)o1 ZINC001083466202 1193819430 /nfs/dbraw/zinc/81/94/30/1193819430.db2.gz KPBHHAZWPUVQTO-XHSDSOJGSA-N 2 2 362.474 0.549 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550900186 1193819534 /nfs/dbraw/zinc/81/95/34/1193819534.db2.gz LRSURRMQTYIXAX-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550900186 1193819535 /nfs/dbraw/zinc/81/95/35/1193819535.db2.gz LRSURRMQTYIXAX-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550900186 1193819537 /nfs/dbraw/zinc/81/95/37/1193819537.db2.gz LRSURRMQTYIXAX-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550900186 1193819538 /nfs/dbraw/zinc/81/95/38/1193819538.db2.gz LRSURRMQTYIXAX-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000551171617 1193837491 /nfs/dbraw/zinc/83/74/91/1193837491.db2.gz ARWGGBFFCBWDBJ-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000551171617 1193837492 /nfs/dbraw/zinc/83/74/92/1193837492.db2.gz ARWGGBFFCBWDBJ-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000551493429 1193860317 /nfs/dbraw/zinc/86/03/17/1193860317.db2.gz GHHNRWNAJUZFDM-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000551493429 1193860319 /nfs/dbraw/zinc/86/03/19/1193860319.db2.gz GHHNRWNAJUZFDM-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551493429 1193860320 /nfs/dbraw/zinc/86/03/20/1193860320.db2.gz GHHNRWNAJUZFDM-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551493429 1193860323 /nfs/dbraw/zinc/86/03/23/1193860323.db2.gz GHHNRWNAJUZFDM-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105661692 1193877426 /nfs/dbraw/zinc/87/74/26/1193877426.db2.gz KWZBCXUJKUEIPP-VVWQDTPRSA-N 2 2 364.490 0.955 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075966250 1193885910 /nfs/dbraw/zinc/88/59/10/1193885910.db2.gz VAJUGDYWMZGSEG-GVDBMIGSSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075966250 1193885911 /nfs/dbraw/zinc/88/59/11/1193885911.db2.gz VAJUGDYWMZGSEG-GVDBMIGSSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001075966997 1193885995 /nfs/dbraw/zinc/88/59/95/1193885995.db2.gz BNIJAMLHWAHJCZ-IXDOHACOSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075966997 1193885997 /nfs/dbraw/zinc/88/59/97/1193885997.db2.gz BNIJAMLHWAHJCZ-IXDOHACOSA-N 2 2 354.458 0.875 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967962 1193886631 /nfs/dbraw/zinc/88/66/31/1193886631.db2.gz YHYDPXIXWSGRPP-YQVWRLOYSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967962 1193886632 /nfs/dbraw/zinc/88/66/32/1193886632.db2.gz YHYDPXIXWSGRPP-YQVWRLOYSA-N 2 2 368.485 0.954 20 0 FCADLP Cc1conc1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757147 1193891582 /nfs/dbraw/zinc/89/15/82/1193891582.db2.gz KWYKTVCPTBQEEL-JTWJYDLWSA-N 2 2 360.458 0.925 20 0 FCADLP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757147 1193891585 /nfs/dbraw/zinc/89/15/85/1193891585.db2.gz KWYKTVCPTBQEEL-JTWJYDLWSA-N 2 2 360.458 0.925 20 0 FCADLP Cc1conc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757147 1193891586 /nfs/dbraw/zinc/89/15/86/1193891586.db2.gz KWYKTVCPTBQEEL-JTWJYDLWSA-N 2 2 360.458 0.925 20 0 FCADLP Cc1conc1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757147 1193891588 /nfs/dbraw/zinc/89/15/88/1193891588.db2.gz KWYKTVCPTBQEEL-JTWJYDLWSA-N 2 2 360.458 0.925 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105667796 1193942362 /nfs/dbraw/zinc/94/23/62/1193942362.db2.gz TXSYYLNLEGXHBB-LTDCPUDJSA-N 2 2 364.490 0.955 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218603188 1224179872 /nfs/dbraw/zinc/17/98/72/1224179872.db2.gz MMKQWQXMHDFXRB-HNNXBMFYSA-N 2 2 356.430 0.538 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]21)[NH+](CC)CC ZINC001218624919 1224185773 /nfs/dbraw/zinc/18/57/73/1224185773.db2.gz YGKVRYXDUHHZDN-IXDOHACOSA-N 2 2 364.494 0.310 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]21)[NH+](CC)CC ZINC001218624919 1224185775 /nfs/dbraw/zinc/18/57/75/1224185775.db2.gz YGKVRYXDUHHZDN-IXDOHACOSA-N 2 2 364.494 0.310 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000842194358 1194087288 /nfs/dbraw/zinc/08/72/88/1194087288.db2.gz FYBFMONPVZIRFJ-HNNXBMFYSA-N 2 2 373.501 0.658 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000842194559 1194087355 /nfs/dbraw/zinc/08/73/55/1194087355.db2.gz OGQUEQCMGIOVLV-UHFFFAOYSA-N 2 2 361.490 0.691 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000842194371 1194087469 /nfs/dbraw/zinc/08/74/69/1194087469.db2.gz GTTQFPYDCLMWOL-HNNXBMFYSA-N 2 2 373.501 0.787 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000842194479 1194087730 /nfs/dbraw/zinc/08/77/30/1194087730.db2.gz KKRGTZNMXZWCAA-MRXNPFEDSA-N 2 2 373.501 0.658 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231782 1194123477 /nfs/dbraw/zinc/12/34/77/1194123477.db2.gz YJOXITZOSHXYIR-QGZVFWFLSA-N 2 2 363.506 0.919 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231782 1194123483 /nfs/dbraw/zinc/12/34/83/1194123483.db2.gz YJOXITZOSHXYIR-QGZVFWFLSA-N 2 2 363.506 0.919 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524024 1194155237 /nfs/dbraw/zinc/15/52/37/1194155237.db2.gz DMLGNGZRORDPJR-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524024 1194155241 /nfs/dbraw/zinc/15/52/41/1194155241.db2.gz DMLGNGZRORDPJR-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524024 1194155243 /nfs/dbraw/zinc/15/52/43/1194155243.db2.gz DMLGNGZRORDPJR-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)cn1 ZINC001083524024 1194155245 /nfs/dbraw/zinc/15/52/45/1194155245.db2.gz DMLGNGZRORDPJR-KSZLIROESA-N 2 2 361.490 0.709 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161452 1194335834 /nfs/dbraw/zinc/33/58/34/1194335834.db2.gz NWSZAQBIRXAIAA-LZLYRXPVSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161452 1194335840 /nfs/dbraw/zinc/33/58/40/1194335840.db2.gz NWSZAQBIRXAIAA-LZLYRXPVSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161452 1194335845 /nfs/dbraw/zinc/33/58/45/1194335845.db2.gz NWSZAQBIRXAIAA-LZLYRXPVSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)C1 ZINC001076161452 1194335851 /nfs/dbraw/zinc/33/58/51/1194335851.db2.gz NWSZAQBIRXAIAA-LZLYRXPVSA-N 2 2 360.506 0.970 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001076174580 1194337794 /nfs/dbraw/zinc/33/77/94/1194337794.db2.gz RMTGPUUKJFZACZ-KSZLIROESA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001076174580 1194337798 /nfs/dbraw/zinc/33/77/98/1194337798.db2.gz RMTGPUUKJFZACZ-KSZLIROESA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001076174580 1194337801 /nfs/dbraw/zinc/33/78/01/1194337801.db2.gz RMTGPUUKJFZACZ-KSZLIROESA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076294481 1194386693 /nfs/dbraw/zinc/38/66/93/1194386693.db2.gz NIQLRMCCADCMLU-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076294481 1194386699 /nfs/dbraw/zinc/38/66/99/1194386699.db2.gz NIQLRMCCADCMLU-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC001076294545 1194387258 /nfs/dbraw/zinc/38/72/58/1194387258.db2.gz QHUDOTLZVUSKTC-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC001076294545 1194387261 /nfs/dbraw/zinc/38/72/61/1194387261.db2.gz QHUDOTLZVUSKTC-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP COC(=O)c1cc(-c2ccn(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c(=N)c2N)ccc1C ZINC001218771837 1224217946 /nfs/dbraw/zinc/21/79/46/1224217946.db2.gz WTPBUTAMKAAWAF-DOMZBBRYSA-N 2 2 369.425 0.641 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276795498 1224218411 /nfs/dbraw/zinc/21/84/11/1224218411.db2.gz LGIXMJFMPXOYLE-APWZRJJASA-N 3 2 363.506 0.557 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276795498 1224218426 /nfs/dbraw/zinc/21/84/26/1224218426.db2.gz LGIXMJFMPXOYLE-APWZRJJASA-N 3 2 363.506 0.557 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001076461290 1194505821 /nfs/dbraw/zinc/50/58/21/1194505821.db2.gz ZORHYKSHLCUJES-GOEBONIOSA-N 2 2 358.446 0.820 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)n1 ZINC001076461290 1194505825 /nfs/dbraw/zinc/50/58/25/1194505825.db2.gz ZORHYKSHLCUJES-GOEBONIOSA-N 2 2 358.446 0.820 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076517610 1194533110 /nfs/dbraw/zinc/53/31/10/1194533110.db2.gz OTFFMCOQATYCSV-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076517610 1194533118 /nfs/dbraw/zinc/53/31/18/1194533118.db2.gz OTFFMCOQATYCSV-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP COC(C)(C)CN1C[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276795565 1224224791 /nfs/dbraw/zinc/22/47/91/1224224791.db2.gz MDZGWCDCOKKLRB-DNVCBOLYSA-N 2 2 371.522 0.464 20 0 FCADLP COC(C)(C)CN1C[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276795565 1224224801 /nfs/dbraw/zinc/22/48/01/1224224801.db2.gz MDZGWCDCOKKLRB-DNVCBOLYSA-N 2 2 371.522 0.464 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568852 1194574736 /nfs/dbraw/zinc/57/47/36/1194574736.db2.gz APKUBOFQMZFVSH-JJRVBVJISA-N 2 2 360.458 0.732 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568852 1194574738 /nfs/dbraw/zinc/57/47/38/1194574738.db2.gz APKUBOFQMZFVSH-JJRVBVJISA-N 2 2 360.458 0.732 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568852 1194574742 /nfs/dbraw/zinc/57/47/42/1194574742.db2.gz APKUBOFQMZFVSH-JJRVBVJISA-N 2 2 360.458 0.732 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4noc5c4COCC5)C[C@H]32)C1 ZINC001076568852 1194574744 /nfs/dbraw/zinc/57/47/44/1194574744.db2.gz APKUBOFQMZFVSH-JJRVBVJISA-N 2 2 360.458 0.732 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576421 1194582600 /nfs/dbraw/zinc/58/26/00/1194582600.db2.gz KCURIWLZTOJBNX-HYVNUMGLSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576421 1194582603 /nfs/dbraw/zinc/58/26/03/1194582603.db2.gz KCURIWLZTOJBNX-HYVNUMGLSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)co1 ZINC001076576765 1194583337 /nfs/dbraw/zinc/58/33/37/1194583337.db2.gz ZVHFHOFFRDPVJO-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)co1 ZINC001076576765 1194583340 /nfs/dbraw/zinc/58/33/40/1194583340.db2.gz ZVHFHOFFRDPVJO-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594796 1194588030 /nfs/dbraw/zinc/58/80/30/1194588030.db2.gz SEUVMZDYEKHHLQ-JQHSSLGASA-N 2 2 361.490 0.482 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594796 1194588034 /nfs/dbraw/zinc/58/80/34/1194588034.db2.gz SEUVMZDYEKHHLQ-JQHSSLGASA-N 2 2 361.490 0.482 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594796 1194588037 /nfs/dbraw/zinc/58/80/37/1194588037.db2.gz SEUVMZDYEKHHLQ-JQHSSLGASA-N 2 2 361.490 0.482 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(C)nc4C)C[C@H]32)C1 ZINC001076594796 1194588042 /nfs/dbraw/zinc/58/80/42/1194588042.db2.gz SEUVMZDYEKHHLQ-JQHSSLGASA-N 2 2 361.490 0.482 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)cc2)CC1 ZINC001218845710 1224239594 /nfs/dbraw/zinc/23/95/94/1224239594.db2.gz INGMEVVPXULFRC-WIYYLYMNSA-N 3 2 371.529 0.962 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834132 1195042773 /nfs/dbraw/zinc/04/27/73/1195042773.db2.gz FUADPXFZDPEJSI-KZNAEPCWSA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834132 1195042775 /nfs/dbraw/zinc/04/27/75/1195042775.db2.gz FUADPXFZDPEJSI-KZNAEPCWSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834132 1195042779 /nfs/dbraw/zinc/04/27/79/1195042779.db2.gz FUADPXFZDPEJSI-KZNAEPCWSA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834132 1195042782 /nfs/dbraw/zinc/04/27/82/1195042782.db2.gz FUADPXFZDPEJSI-KZNAEPCWSA-N 2 2 370.453 0.227 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)c1 ZINC001083559773 1195149622 /nfs/dbraw/zinc/14/96/22/1195149622.db2.gz BOOHYHIHZDYQQN-MSOLQXFVSA-N 2 2 358.486 0.927 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)c1 ZINC001083559773 1195149631 /nfs/dbraw/zinc/14/96/31/1195149631.db2.gz BOOHYHIHZDYQQN-MSOLQXFVSA-N 2 2 358.486 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@H]2O)CC[N@@H+]1C ZINC001077026713 1195157887 /nfs/dbraw/zinc/15/78/87/1195157887.db2.gz GXGHCIUNHCTCEA-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@H]2O)CC[N@H+]1C ZINC001077026713 1195157895 /nfs/dbraw/zinc/15/78/95/1195157895.db2.gz GXGHCIUNHCTCEA-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2O)CC[NH+]1C ZINC001077026713 1195157904 /nfs/dbraw/zinc/15/79/04/1195157904.db2.gz GXGHCIUNHCTCEA-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]2O)CC[NH+]1C ZINC001077026713 1195157909 /nfs/dbraw/zinc/15/79/09/1195157909.db2.gz GXGHCIUNHCTCEA-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CCC1 ZINC001083563359 1195221075 /nfs/dbraw/zinc/22/10/75/1195221075.db2.gz LKVVZVWXZFKIIL-IKGGRYGDSA-N 2 2 364.490 0.903 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CCC1 ZINC001083563359 1195221077 /nfs/dbraw/zinc/22/10/77/1195221077.db2.gz LKVVZVWXZFKIIL-IKGGRYGDSA-N 2 2 364.490 0.903 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)ncn1 ZINC001077218991 1195327612 /nfs/dbraw/zinc/32/76/12/1195327612.db2.gz DXEIKWCYSVJDRU-IAGOWNOFSA-N 2 2 359.474 0.322 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)ncn1 ZINC001077218991 1195327613 /nfs/dbraw/zinc/32/76/13/1195327613.db2.gz DXEIKWCYSVJDRU-IAGOWNOFSA-N 2 2 359.474 0.322 20 0 FCADLP CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800468 1224275147 /nfs/dbraw/zinc/27/51/47/1224275147.db2.gz SGFPWNPOGQWKBJ-QFBILLFUSA-N 2 2 364.490 0.984 20 0 FCADLP CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276800468 1224275151 /nfs/dbraw/zinc/27/51/51/1224275151.db2.gz SGFPWNPOGQWKBJ-QFBILLFUSA-N 2 2 364.490 0.984 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cn1 ZINC001077309061 1195410530 /nfs/dbraw/zinc/41/05/30/1195410530.db2.gz ZGSVFSOKYKUADH-IAGOWNOFSA-N 2 2 354.414 0.085 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cn1 ZINC001077309061 1195410540 /nfs/dbraw/zinc/41/05/40/1195410540.db2.gz ZGSVFSOKYKUADH-IAGOWNOFSA-N 2 2 354.414 0.085 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077308750 1195410973 /nfs/dbraw/zinc/41/09/73/1195410973.db2.gz KIEFCNDNCYRNMD-IAGOWNOFSA-N 2 2 354.414 0.085 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077308750 1195410980 /nfs/dbraw/zinc/41/09/80/1195410980.db2.gz KIEFCNDNCYRNMD-IAGOWNOFSA-N 2 2 354.414 0.085 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083572597 1195418403 /nfs/dbraw/zinc/41/84/03/1195418403.db2.gz YNSUXAZKPFLRFH-QRVBRYPASA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083572597 1195418409 /nfs/dbraw/zinc/41/84/09/1195418409.db2.gz YNSUXAZKPFLRFH-QRVBRYPASA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)cc1 ZINC001083572597 1195418412 /nfs/dbraw/zinc/41/84/12/1195418412.db2.gz YNSUXAZKPFLRFH-QRVBRYPASA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)cc1 ZINC001083572597 1195418415 /nfs/dbraw/zinc/41/84/15/1195418415.db2.gz YNSUXAZKPFLRFH-QRVBRYPASA-N 2 2 361.486 0.883 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573681 1195438292 /nfs/dbraw/zinc/43/82/92/1195438292.db2.gz RAILWBISXDBPQT-QYZOEREBSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)c1 ZINC001083573681 1195438298 /nfs/dbraw/zinc/43/82/98/1195438298.db2.gz RAILWBISXDBPQT-QYZOEREBSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083573681 1195438301 /nfs/dbraw/zinc/43/83/01/1195438301.db2.gz RAILWBISXDBPQT-QYZOEREBSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083573681 1195438307 /nfs/dbraw/zinc/43/83/07/1195438307.db2.gz RAILWBISXDBPQT-QYZOEREBSA-N 2 2 360.502 0.898 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001077395003 1195491684 /nfs/dbraw/zinc/49/16/84/1195491684.db2.gz OFVHAGANVSCKJE-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001077395003 1195491689 /nfs/dbraw/zinc/49/16/89/1195491689.db2.gz OFVHAGANVSCKJE-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001219003035 1224284837 /nfs/dbraw/zinc/28/48/37/1224284837.db2.gz PNHPOQLVARJHJP-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001219003035 1224284843 /nfs/dbraw/zinc/28/48/43/1224284843.db2.gz PNHPOQLVARJHJP-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001219003035 1224284854 /nfs/dbraw/zinc/28/48/54/1224284854.db2.gz PNHPOQLVARJHJP-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001219003035 1224284863 /nfs/dbraw/zinc/28/48/63/1224284863.db2.gz PNHPOQLVARJHJP-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP Cn1ccc(-n2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nn2)n1 ZINC000906260917 1195621008 /nfs/dbraw/zinc/62/10/08/1195621008.db2.gz BSSSYUYDGJWDJJ-UHFFFAOYSA-N 2 2 359.478 0.935 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccn1CC[NH+]1CCOCC1 ZINC000906459105 1195631310 /nfs/dbraw/zinc/63/13/10/1195631310.db2.gz JNPIPIRVQSEDCT-SJORKVTESA-N 2 2 362.474 0.413 20 0 FCADLP C[C@H](CNC(=O)c1cccn1CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000906683950 1195645772 /nfs/dbraw/zinc/64/57/72/1195645772.db2.gz SALXIDDGGKDTCU-QGZVFWFLSA-N 2 2 363.506 0.186 20 0 FCADLP C[NH+](C)C1(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CCOCC1 ZINC000906698007 1195645937 /nfs/dbraw/zinc/64/59/37/1195645937.db2.gz RDAWPYXIOMAXGP-UHFFFAOYSA-N 2 2 364.490 0.661 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607233 1195683753 /nfs/dbraw/zinc/68/37/53/1195683753.db2.gz MPQIWINAFGTZNN-QRVBRYPASA-N 2 2 366.421 0.843 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607233 1195683756 /nfs/dbraw/zinc/68/37/56/1195683756.db2.gz MPQIWINAFGTZNN-QRVBRYPASA-N 2 2 366.421 0.843 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C)C1 ZINC000910289177 1195811040 /nfs/dbraw/zinc/81/10/40/1195811040.db2.gz QCYUNKGNOXMICG-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H](C)C1 ZINC000910289177 1195811043 /nfs/dbraw/zinc/81/10/43/1195811043.db2.gz QCYUNKGNOXMICG-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC[N@H+](C)C1 ZINC000910412757 1195814727 /nfs/dbraw/zinc/81/47/27/1195814727.db2.gz CKQYVMRNLVFQQQ-KRWDZBQOSA-N 2 2 368.522 0.356 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC[N@@H+](C)C1 ZINC000910412757 1195814729 /nfs/dbraw/zinc/81/47/29/1195814729.db2.gz CKQYVMRNLVFQQQ-KRWDZBQOSA-N 2 2 368.522 0.356 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000911069358 1195885541 /nfs/dbraw/zinc/88/55/41/1195885541.db2.gz SPQIWSLUJMSRHM-HNNXBMFYSA-N 2 2 359.474 0.885 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043840 1224314782 /nfs/dbraw/zinc/31/47/82/1224314782.db2.gz KTLAGXKCOPTJCV-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001219043840 1224314792 /nfs/dbraw/zinc/31/47/92/1224314792.db2.gz KTLAGXKCOPTJCV-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001219043840 1224314802 /nfs/dbraw/zinc/31/48/02/1224314802.db2.gz KTLAGXKCOPTJCV-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001219043840 1224314813 /nfs/dbraw/zinc/31/48/13/1224314813.db2.gz KTLAGXKCOPTJCV-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219065925 1224334199 /nfs/dbraw/zinc/33/41/99/1224334199.db2.gz SNXURLHXZHAGBL-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219065925 1224334202 /nfs/dbraw/zinc/33/42/02/1224334202.db2.gz SNXURLHXZHAGBL-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083647497 1196315485 /nfs/dbraw/zinc/31/54/85/1196315485.db2.gz GKBFVWSEWGWVFB-AEFFLSMTSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083647497 1196315490 /nfs/dbraw/zinc/31/54/90/1196315490.db2.gz GKBFVWSEWGWVFB-AEFFLSMTSA-N 2 2 362.474 0.492 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363416 1196325835 /nfs/dbraw/zinc/32/58/35/1196325835.db2.gz XCRIIQIBFDEECI-RGPZOAQRSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(=O)NC2CC2)CC3)O1 ZINC000991363416 1196325837 /nfs/dbraw/zinc/32/58/37/1196325837.db2.gz XCRIIQIBFDEECI-RGPZOAQRSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363416 1196325842 /nfs/dbraw/zinc/32/58/42/1196325842.db2.gz XCRIIQIBFDEECI-RGPZOAQRSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC2CC2)CC3)O1 ZINC000991363416 1196325845 /nfs/dbraw/zinc/32/58/45/1196325845.db2.gz XCRIIQIBFDEECI-RGPZOAQRSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363927 1196327531 /nfs/dbraw/zinc/32/75/31/1196327531.db2.gz ZXIUKJSIFAEEFR-JEWRLFTDSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CC(=O)N2CCC2)CC3)O1 ZINC000991363927 1196327534 /nfs/dbraw/zinc/32/75/34/1196327534.db2.gz ZXIUKJSIFAEEFR-JEWRLFTDSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363927 1196327537 /nfs/dbraw/zinc/32/75/37/1196327537.db2.gz ZXIUKJSIFAEEFR-JEWRLFTDSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)N2CCC2)CC3)O1 ZINC000991363927 1196327539 /nfs/dbraw/zinc/32/75/39/1196327539.db2.gz ZXIUKJSIFAEEFR-JEWRLFTDSA-N 2 2 364.490 0.051 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467567 1196438747 /nfs/dbraw/zinc/43/87/47/1196438747.db2.gz IXZNWTDVRBOGBP-ICSRJNTNSA-N 2 2 369.469 0.530 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467567 1196438754 /nfs/dbraw/zinc/43/87/54/1196438754.db2.gz IXZNWTDVRBOGBP-ICSRJNTNSA-N 2 2 369.469 0.530 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@H](C4CCOCC4)C3=O)CC2)CC1 ZINC000349349702 1196484479 /nfs/dbraw/zinc/48/44/79/1196484479.db2.gz VKKVXWQHBWKWJP-QGZVFWFLSA-N 2 2 364.490 0.892 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@H]([C@H]4CCCOC4)C3=O)CC2)CC1 ZINC000349394904 1196491509 /nfs/dbraw/zinc/49/15/09/1196491509.db2.gz WQFIKZCZKPACTB-WMLDXEAASA-N 2 2 364.490 0.892 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000591644080 1196522138 /nfs/dbraw/zinc/52/21/38/1196522138.db2.gz PRIGNXXPNVZKBR-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000591644080 1196522141 /nfs/dbraw/zinc/52/21/41/1196522141.db2.gz PRIGNXXPNVZKBR-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1=O ZINC000591644080 1196522148 /nfs/dbraw/zinc/52/21/48/1196522148.db2.gz PRIGNXXPNVZKBR-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1=O ZINC000591644080 1196522151 /nfs/dbraw/zinc/52/21/51/1196522151.db2.gz PRIGNXXPNVZKBR-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000592564076 1196569068 /nfs/dbraw/zinc/56/90/68/1196569068.db2.gz DZPILUIWNWLTQC-HLLBOEOZSA-N 2 2 361.490 0.902 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000593350861 1196625827 /nfs/dbraw/zinc/62/58/27/1196625827.db2.gz XQMPYLJIMCTNOG-DZKIICNBSA-N 2 2 368.478 0.127 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000593350861 1196625832 /nfs/dbraw/zinc/62/58/32/1196625832.db2.gz XQMPYLJIMCTNOG-DZKIICNBSA-N 2 2 368.478 0.127 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320292 1196676442 /nfs/dbraw/zinc/67/64/42/1196676442.db2.gz PMJSMQSBDFDSJG-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106061758 1196819974 /nfs/dbraw/zinc/81/99/74/1196819974.db2.gz LETQFDLGONNZDE-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106061512 1196820108 /nfs/dbraw/zinc/82/01/08/1196820108.db2.gz GOYXSEZZCUQYEX-GDBMZVCRSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106062315 1196820512 /nfs/dbraw/zinc/82/05/12/1196820512.db2.gz SVGIRTVHHINCHF-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039228 1196872743 /nfs/dbraw/zinc/87/27/43/1196872743.db2.gz AYXDHIJTZHFEHI-KEYYUXOJSA-N 2 2 360.458 0.861 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039228 1196872745 /nfs/dbraw/zinc/87/27/45/1196872745.db2.gz AYXDHIJTZHFEHI-KEYYUXOJSA-N 2 2 360.458 0.861 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039228 1196872746 /nfs/dbraw/zinc/87/27/46/1196872746.db2.gz AYXDHIJTZHFEHI-KEYYUXOJSA-N 2 2 360.458 0.861 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)Nc1ccc(O)cc1 ZINC001089039228 1196872747 /nfs/dbraw/zinc/87/27/47/1196872747.db2.gz AYXDHIJTZHFEHI-KEYYUXOJSA-N 2 2 360.458 0.861 20 0 FCADLP COC(=O)c1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(OC)c(OC(C)=O)c1 ZINC001219164223 1224372779 /nfs/dbraw/zinc/37/27/79/1224372779.db2.gz VPFNEACREWZQBL-UHFFFAOYSA-N 2 2 365.386 0.427 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053479 1196876606 /nfs/dbraw/zinc/87/66/06/1196876606.db2.gz YIDRBBAGZIZWRM-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053479 1196876607 /nfs/dbraw/zinc/87/66/07/1196876607.db2.gz YIDRBBAGZIZWRM-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053479 1196876609 /nfs/dbraw/zinc/87/66/09/1196876609.db2.gz YIDRBBAGZIZWRM-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)[C@@H]2C)C1 ZINC001089053479 1196876611 /nfs/dbraw/zinc/87/66/11/1196876611.db2.gz YIDRBBAGZIZWRM-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219193592 1224382586 /nfs/dbraw/zinc/38/25/86/1224382586.db2.gz GVJSMPQDWJRLOR-GJZGRUSLSA-N 3 2 371.407 0.596 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC[N@@H+]1C ZINC000992402464 1197089756 /nfs/dbraw/zinc/08/97/56/1197089756.db2.gz XZZFTLFZCKBQML-JKSUJKDBSA-N 2 2 361.490 0.984 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC[N@H+]1C ZINC000992402464 1197089761 /nfs/dbraw/zinc/08/97/61/1197089761.db2.gz XZZFTLFZCKBQML-JKSUJKDBSA-N 2 2 361.490 0.984 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106130995 1197097448 /nfs/dbraw/zinc/09/74/48/1197097448.db2.gz IOXLUOPDQOHSTG-XYPHTWIQSA-N 2 2 360.458 0.948 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001746921825 1197098330 /nfs/dbraw/zinc/09/83/30/1197098330.db2.gz BTTFKKLYVLVXJG-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CO)n1cc[nH+]c1)CC2 ZINC001272468242 1197105486 /nfs/dbraw/zinc/10/54/86/1197105486.db2.gz WDAZHYSBUKPUDQ-INIZCTEOSA-N 2 2 366.462 0.352 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CO)n1cc[nH+]c1)CC2 ZINC001272468242 1197105488 /nfs/dbraw/zinc/10/54/88/1197105488.db2.gz WDAZHYSBUKPUDQ-INIZCTEOSA-N 2 2 366.462 0.352 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CO)n1cc[nH+]c1)CC2 ZINC001272468244 1197105961 /nfs/dbraw/zinc/10/59/61/1197105961.db2.gz WDAZHYSBUKPUDQ-MRXNPFEDSA-N 2 2 366.462 0.352 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CO)n1cc[nH+]c1)CC2 ZINC001272468244 1197105964 /nfs/dbraw/zinc/10/59/64/1197105964.db2.gz WDAZHYSBUKPUDQ-MRXNPFEDSA-N 2 2 366.462 0.352 20 0 FCADLP CO[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000913787431 1197130190 /nfs/dbraw/zinc/13/01/90/1197130190.db2.gz AYSFWWUOHXXFQY-GJZGRUSLSA-N 2 2 374.489 0.348 20 0 FCADLP CO[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC000913787431 1197130196 /nfs/dbraw/zinc/13/01/96/1197130196.db2.gz AYSFWWUOHXXFQY-GJZGRUSLSA-N 2 2 374.489 0.348 20 0 FCADLP C[C@H]1C[NH+](CCCNS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C[C@H](C)O1 ZINC000913881630 1197149109 /nfs/dbraw/zinc/14/91/09/1197149109.db2.gz DNNFREFRSKYFDC-ULQDDVLXSA-N 2 2 359.536 0.891 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1[C@@H]2C[C@H]1CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272541443 1197280751 /nfs/dbraw/zinc/28/07/51/1197280751.db2.gz ZDEHHYKCSOTLGF-OWCLPIDISA-N 2 2 357.458 0.638 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106143729 1197308012 /nfs/dbraw/zinc/30/80/12/1197308012.db2.gz LGIKIRXAPSHKTC-KLHDSHLOSA-N 2 2 359.474 0.323 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280125 1224412363 /nfs/dbraw/zinc/41/23/63/1224412363.db2.gz ADAUINZPSICWLS-HNNXBMFYSA-N 3 2 360.437 0.796 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000992941100 1197620434 /nfs/dbraw/zinc/62/04/34/1197620434.db2.gz LAQXYQNNEZRLJP-FCEWJHQRSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000992941100 1197620444 /nfs/dbraw/zinc/62/04/44/1197620444.db2.gz LAQXYQNNEZRLJP-FCEWJHQRSA-N 2 2 359.474 0.532 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719520 1197651781 /nfs/dbraw/zinc/65/17/81/1197651781.db2.gz HVZNHYCKAGSKEQ-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719520 1197651787 /nfs/dbraw/zinc/65/17/87/1197651787.db2.gz HVZNHYCKAGSKEQ-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719520 1197651800 /nfs/dbraw/zinc/65/18/00/1197651800.db2.gz HVZNHYCKAGSKEQ-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719520 1197651809 /nfs/dbraw/zinc/65/18/09/1197651809.db2.gz HVZNHYCKAGSKEQ-JQHSSLGASA-N 2 2 361.490 0.568 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)CC1 ZINC000734270137 1197741046 /nfs/dbraw/zinc/74/10/46/1197741046.db2.gz PBMJPZMMDUZGIB-KRWDZBQOSA-N 2 2 373.501 0.771 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)CC1 ZINC000734270137 1197741050 /nfs/dbraw/zinc/74/10/50/1197741050.db2.gz PBMJPZMMDUZGIB-KRWDZBQOSA-N 2 2 373.501 0.771 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1)N1CCC1 ZINC001085249553 1197747459 /nfs/dbraw/zinc/74/74/59/1197747459.db2.gz IXEDLAPGFGWDLL-BZUAXINKSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)C1CC1 ZINC001106225690 1197749504 /nfs/dbraw/zinc/74/95/04/1197749504.db2.gz BVTDBOTULFJVEV-IIAWOOMASA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)C1CC1 ZINC001106225690 1197749513 /nfs/dbraw/zinc/74/95/13/1197749513.db2.gz BVTDBOTULFJVEV-IIAWOOMASA-N 2 2 361.490 0.941 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1)C1CC1 ZINC000993079928 1197803220 /nfs/dbraw/zinc/80/32/20/1197803220.db2.gz DQECQVDYVZLARW-VDZJLULYSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993079577 1197805124 /nfs/dbraw/zinc/80/51/24/1197805124.db2.gz CPYFUUXWYRRRJA-MDZRGWNJSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993079577 1197805126 /nfs/dbraw/zinc/80/51/26/1197805126.db2.gz CPYFUUXWYRRRJA-MDZRGWNJSA-N 2 2 359.474 0.532 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[nH]1 ZINC001085308666 1197810167 /nfs/dbraw/zinc/81/01/67/1197810167.db2.gz CEFQRFQJGFEEDT-OAGGEKHMSA-N 2 2 364.494 0.739 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[nH]1 ZINC001085308666 1197810168 /nfs/dbraw/zinc/81/01/68/1197810168.db2.gz CEFQRFQJGFEEDT-OAGGEKHMSA-N 2 2 364.494 0.739 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727107 1197830868 /nfs/dbraw/zinc/83/08/68/1197830868.db2.gz LIFKQPOHBWYKJH-HNKHHVNMSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727107 1197830869 /nfs/dbraw/zinc/83/08/69/1197830869.db2.gz LIFKQPOHBWYKJH-HNKHHVNMSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727107 1197830874 /nfs/dbraw/zinc/83/08/74/1197830874.db2.gz LIFKQPOHBWYKJH-HNKHHVNMSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083727107 1197830876 /nfs/dbraw/zinc/83/08/76/1197830876.db2.gz LIFKQPOHBWYKJH-HNKHHVNMSA-N 2 2 364.490 0.937 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106312847 1197862594 /nfs/dbraw/zinc/86/25/94/1197862594.db2.gz QFVCWIDSZLCFAS-GDBMZVCRSA-N 2 2 362.474 0.795 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106342740 1197870995 /nfs/dbraw/zinc/87/09/95/1197870995.db2.gz BWGASADYEXWBLL-RBSFLKMASA-N 2 2 359.474 0.408 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000993156823 1197899960 /nfs/dbraw/zinc/89/99/60/1197899960.db2.gz NZUQHBWOFVJTNO-ZRGWGRIASA-N 2 2 359.474 0.221 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000993156823 1197899964 /nfs/dbraw/zinc/89/99/64/1197899964.db2.gz NZUQHBWOFVJTNO-ZRGWGRIASA-N 2 2 359.474 0.221 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1)[NH+](C)C ZINC000993175991 1197938538 /nfs/dbraw/zinc/93/85/38/1197938538.db2.gz QQXHTBQVUDNNIA-FRQCXROJSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000993177010 1197941281 /nfs/dbraw/zinc/94/12/81/1197941281.db2.gz YCYSTGUNVQSUBD-AXVVYFOYSA-N 2 2 373.501 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)CC[N@H+]1C ZINC000993177010 1197941297 /nfs/dbraw/zinc/94/12/97/1197941297.db2.gz YCYSTGUNVQSUBD-AXVVYFOYSA-N 2 2 373.501 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001085604067 1197957369 /nfs/dbraw/zinc/95/73/69/1197957369.db2.gz WIPQAQAYZYPPIH-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001085604067 1197957390 /nfs/dbraw/zinc/95/73/90/1197957390.db2.gz WIPQAQAYZYPPIH-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001085604067 1197957394 /nfs/dbraw/zinc/95/73/94/1197957394.db2.gz WIPQAQAYZYPPIH-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001085604067 1197957398 /nfs/dbraw/zinc/95/73/98/1197957398.db2.gz WIPQAQAYZYPPIH-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N(C)CC1CC1 ZINC001106498817 1197979106 /nfs/dbraw/zinc/97/91/06/1197979106.db2.gz QPDZFFWZZIKBLG-NVXWUHKLSA-N 2 2 361.490 0.826 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411632 1224457458 /nfs/dbraw/zinc/45/74/58/1224457458.db2.gz QWDYUVXPKSCWKJ-PIZCUVFISA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411632 1224457462 /nfs/dbraw/zinc/45/74/62/1224457462.db2.gz QWDYUVXPKSCWKJ-PIZCUVFISA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411632 1224457464 /nfs/dbraw/zinc/45/74/64/1224457464.db2.gz QWDYUVXPKSCWKJ-PIZCUVFISA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001219411632 1224457467 /nfs/dbraw/zinc/45/74/67/1224457467.db2.gz QWDYUVXPKSCWKJ-PIZCUVFISA-N 2 2 359.470 0.582 20 0 FCADLP COC(=O)[C@@H]1CCc2cc(NC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)ccc21 ZINC001219425811 1224463222 /nfs/dbraw/zinc/46/32/22/1224463222.db2.gz VUWUVUMJROZORO-IAGOWNOFSA-N 2 2 360.458 0.578 20 0 FCADLP COC(=O)[C@H]1CCc2cc(NC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)ccc21 ZINC001219425810 1224463860 /nfs/dbraw/zinc/46/38/60/1224463860.db2.gz VUWUVUMJROZORO-DLBZAZTESA-N 2 2 360.458 0.578 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001006285538 1198184911 /nfs/dbraw/zinc/18/49/11/1198184911.db2.gz IXNZYBZRNQKJBM-ABFRBSLYSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]cn1C ZINC001006285538 1198184921 /nfs/dbraw/zinc/18/49/21/1198184921.db2.gz IXNZYBZRNQKJBM-ABFRBSLYSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086368391 1198328974 /nfs/dbraw/zinc/32/89/74/1198328974.db2.gz CLOMGOFKFSTESG-HHARLNAUSA-N 2 2 371.485 0.527 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219543650 1224505266 /nfs/dbraw/zinc/50/52/66/1224505266.db2.gz OTKRUKAJXHJOKG-BBWFWOEESA-N 2 2 358.442 0.107 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001219543650 1224505271 /nfs/dbraw/zinc/50/52/71/1224505271.db2.gz OTKRUKAJXHJOKG-BBWFWOEESA-N 2 2 358.442 0.107 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001219552652 1224506187 /nfs/dbraw/zinc/50/61/87/1224506187.db2.gz GABIDWJKISZTLL-OAGGEKHMSA-N 2 2 366.462 0.089 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001219552652 1224506190 /nfs/dbraw/zinc/50/61/90/1224506190.db2.gz GABIDWJKISZTLL-OAGGEKHMSA-N 2 2 366.462 0.089 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001219567226 1224513042 /nfs/dbraw/zinc/51/30/42/1224513042.db2.gz BRDDOCJPGUNOML-SFHVURJKSA-N 3 2 364.490 0.470 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006323976 1198980237 /nfs/dbraw/zinc/98/02/37/1198980237.db2.gz BTVFTTOEOOVHIB-BPLDGKMQSA-N 2 2 357.458 0.572 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006323976 1198980246 /nfs/dbraw/zinc/98/02/46/1198980246.db2.gz BTVFTTOEOOVHIB-BPLDGKMQSA-N 2 2 357.458 0.572 20 0 FCADLP CCOC(=O)C1(Nc2nccnc2N2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC001169491263 1199070468 /nfs/dbraw/zinc/07/04/68/1199070468.db2.gz JQFJZEXSLOWLCA-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP CCOC(=O)N1CCC[C@@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001169694778 1199085230 /nfs/dbraw/zinc/08/52/30/1199085230.db2.gz QWYGIWWUDHYRSK-GOSISDBHSA-N 2 2 368.522 0.947 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])c1 ZINC001219634082 1224539633 /nfs/dbraw/zinc/53/96/33/1224539633.db2.gz MXUVYQLYSBTEBV-KRWDZBQOSA-N 2 2 368.441 0.246 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665593 1224549111 /nfs/dbraw/zinc/54/91/11/1224549111.db2.gz PVYAAWMGNTUPJR-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665593 1224549117 /nfs/dbraw/zinc/54/91/17/1224549117.db2.gz PVYAAWMGNTUPJR-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665593 1224549123 /nfs/dbraw/zinc/54/91/23/1224549123.db2.gz PVYAAWMGNTUPJR-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP COCCCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665593 1224549136 /nfs/dbraw/zinc/54/91/36/1224549136.db2.gz PVYAAWMGNTUPJR-ZACQAIPSSA-N 2 2 365.478 0.378 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665806 1224551072 /nfs/dbraw/zinc/55/10/72/1224551072.db2.gz XVMUEOUBIDLMAA-ZACQAIPSSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665806 1224551083 /nfs/dbraw/zinc/55/10/83/1224551083.db2.gz XVMUEOUBIDLMAA-ZACQAIPSSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665806 1224551089 /nfs/dbraw/zinc/55/10/89/1224551089.db2.gz XVMUEOUBIDLMAA-ZACQAIPSSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001219665806 1224551095 /nfs/dbraw/zinc/55/10/95/1224551095.db2.gz XVMUEOUBIDLMAA-ZACQAIPSSA-N 2 2 365.478 0.376 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001109224998 1200121303 /nfs/dbraw/zinc/12/13/03/1200121303.db2.gz UOOCXGNRYIZLBV-RDBSUJKOSA-N 2 2 374.445 0.006 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001109224998 1200121309 /nfs/dbraw/zinc/12/13/09/1200121309.db2.gz UOOCXGNRYIZLBV-RDBSUJKOSA-N 2 2 374.445 0.006 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449397 1200288323 /nfs/dbraw/zinc/28/83/23/1200288323.db2.gz SSJOMKPUOMPRMB-FZKCQIBNSA-N 2 2 366.506 0.201 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449397 1200288328 /nfs/dbraw/zinc/28/83/28/1200288328.db2.gz SSJOMKPUOMPRMB-FZKCQIBNSA-N 2 2 366.506 0.201 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109445911 1200290883 /nfs/dbraw/zinc/29/08/83/1200290883.db2.gz FOCBYPRMFFSFAE-BARDWOONSA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109445911 1200290887 /nfs/dbraw/zinc/29/08/87/1200290887.db2.gz FOCBYPRMFFSFAE-BARDWOONSA-N 2 2 367.494 0.284 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109466260 1200305522 /nfs/dbraw/zinc/30/55/22/1200305522.db2.gz SANGRGKQXHCILZ-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001109466260 1200305531 /nfs/dbraw/zinc/30/55/31/1200305531.db2.gz SANGRGKQXHCILZ-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001109466260 1200305540 /nfs/dbraw/zinc/30/55/40/1200305540.db2.gz SANGRGKQXHCILZ-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001109466260 1200305545 /nfs/dbraw/zinc/30/55/45/1200305545.db2.gz SANGRGKQXHCILZ-PMPSAXMXSA-N 2 2 368.522 0.591 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001109461163 1200307849 /nfs/dbraw/zinc/30/78/49/1200307849.db2.gz QKAAMMRPFNQHFA-MVJTYMMSSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2)C1CC1 ZINC001109461163 1200307857 /nfs/dbraw/zinc/30/78/57/1200307857.db2.gz QKAAMMRPFNQHFA-MVJTYMMSSA-N 2 2 371.485 0.693 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489140 1200331842 /nfs/dbraw/zinc/33/18/42/1200331842.db2.gz HZFUUUFWBRTOMD-DWZYQQQCSA-N 2 2 370.413 0.253 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489140 1200331846 /nfs/dbraw/zinc/33/18/46/1200331846.db2.gz HZFUUUFWBRTOMD-DWZYQQQCSA-N 2 2 370.413 0.253 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001109635876 1200433402 /nfs/dbraw/zinc/43/34/02/1200433402.db2.gz XJVDELNRFNVJRF-XGUBFFRZSA-N 2 2 365.478 0.025 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001109635876 1200433405 /nfs/dbraw/zinc/43/34/05/1200433405.db2.gz XJVDELNRFNVJRF-XGUBFFRZSA-N 2 2 365.478 0.025 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001109635876 1200433411 /nfs/dbraw/zinc/43/34/11/1200433411.db2.gz XJVDELNRFNVJRF-XGUBFFRZSA-N 2 2 365.478 0.025 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001109635876 1200433414 /nfs/dbraw/zinc/43/34/14/1200433414.db2.gz XJVDELNRFNVJRF-XGUBFFRZSA-N 2 2 365.478 0.025 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001109653597 1200445252 /nfs/dbraw/zinc/44/52/52/1200445252.db2.gz YXWMJTULYRQYLT-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001109653597 1200445258 /nfs/dbraw/zinc/44/52/58/1200445258.db2.gz YXWMJTULYRQYLT-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCNc2[nH+]cnc3c2cnn3C)O1 ZINC001109660421 1200453815 /nfs/dbraw/zinc/45/38/15/1200453815.db2.gz NJNTUKMOIOEMIH-TZMCWYRMSA-N 2 2 361.450 0.343 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCNc2[nH+]cnc3c2cnn3C)O1 ZINC001109660421 1200453824 /nfs/dbraw/zinc/45/38/24/1200453824.db2.gz NJNTUKMOIOEMIH-TZMCWYRMSA-N 2 2 361.450 0.343 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001109671443 1200457860 /nfs/dbraw/zinc/45/78/60/1200457860.db2.gz JGCWJZNBAXYVMC-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109671443 1200457867 /nfs/dbraw/zinc/45/78/67/1200457867.db2.gz JGCWJZNBAXYVMC-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001109671443 1200457875 /nfs/dbraw/zinc/45/78/75/1200457875.db2.gz JGCWJZNBAXYVMC-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109671443 1200457880 /nfs/dbraw/zinc/45/78/80/1200457880.db2.gz JGCWJZNBAXYVMC-OWSLCNJRSA-N 2 2 359.474 0.979 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109723216 1200481087 /nfs/dbraw/zinc/48/10/87/1200481087.db2.gz ZWKPYALTTVNIFF-MVJTYMMSSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109723216 1200481091 /nfs/dbraw/zinc/48/10/91/1200481091.db2.gz ZWKPYALTTVNIFF-MVJTYMMSSA-N 2 2 373.501 0.954 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733066 1200493934 /nfs/dbraw/zinc/49/39/34/1200493934.db2.gz FOCBYPRMFFSFAE-QPSCCSFWSA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733066 1200493942 /nfs/dbraw/zinc/49/39/42/1200493942.db2.gz FOCBYPRMFFSFAE-QPSCCSFWSA-N 2 2 367.494 0.284 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798130 1224618087 /nfs/dbraw/zinc/61/80/87/1224618087.db2.gz FTXFWXJBACDABG-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798130 1224618091 /nfs/dbraw/zinc/61/80/91/1224618091.db2.gz FTXFWXJBACDABG-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109846585 1200559763 /nfs/dbraw/zinc/55/97/63/1200559763.db2.gz QJAZYOOGBHOMJB-PMPSAXMXSA-N 2 2 366.506 0.345 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109846585 1200559770 /nfs/dbraw/zinc/55/97/70/1200559770.db2.gz QJAZYOOGBHOMJB-PMPSAXMXSA-N 2 2 366.506 0.345 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798629 1224618443 /nfs/dbraw/zinc/61/84/43/1224618443.db2.gz PEVCVTCVXUYHFD-KFWWJZLASA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798629 1224618450 /nfs/dbraw/zinc/61/84/50/1224618450.db2.gz PEVCVTCVXUYHFD-KFWWJZLASA-N 2 2 368.522 0.325 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109858196 1200569308 /nfs/dbraw/zinc/56/93/08/1200569308.db2.gz YNYDDVRSJWADCS-ILXRZTDVSA-N 2 2 367.494 0.415 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001109858196 1200569316 /nfs/dbraw/zinc/56/93/16/1200569316.db2.gz YNYDDVRSJWADCS-ILXRZTDVSA-N 2 2 367.494 0.415 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001109858196 1200569322 /nfs/dbraw/zinc/56/93/22/1200569322.db2.gz YNYDDVRSJWADCS-ILXRZTDVSA-N 2 2 367.494 0.415 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001109858196 1200569329 /nfs/dbraw/zinc/56/93/29/1200569329.db2.gz YNYDDVRSJWADCS-ILXRZTDVSA-N 2 2 367.494 0.415 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001219799908 1224620265 /nfs/dbraw/zinc/62/02/65/1224620265.db2.gz BYZXMBMGIQXCFB-SQNIBIBYSA-N 2 2 357.458 0.175 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001219799908 1224620270 /nfs/dbraw/zinc/62/02/70/1224620270.db2.gz BYZXMBMGIQXCFB-SQNIBIBYSA-N 2 2 357.458 0.175 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)ccn1 ZINC001219801991 1224621623 /nfs/dbraw/zinc/62/16/23/1224621623.db2.gz BVVJPJMBWROVFC-CVEARBPZSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)ccn1 ZINC001219801991 1224621632 /nfs/dbraw/zinc/62/16/32/1224621632.db2.gz BVVJPJMBWROVFC-CVEARBPZSA-N 2 2 361.490 0.293 20 0 FCADLP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800725 1224621838 /nfs/dbraw/zinc/62/18/38/1224621838.db2.gz VIDPCEIMROTCBD-IGUGLUJZSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800725 1224621844 /nfs/dbraw/zinc/62/18/44/1224621844.db2.gz VIDPCEIMROTCBD-IGUGLUJZSA-N 2 2 363.506 0.721 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001219804254 1224624175 /nfs/dbraw/zinc/62/41/75/1224624175.db2.gz QQAWDVSCDMNNHD-RYRKJORJSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1)C(C)C ZINC001219804254 1224624181 /nfs/dbraw/zinc/62/41/81/1224624181.db2.gz QQAWDVSCDMNNHD-RYRKJORJSA-N 2 2 368.522 0.133 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112571662 1200803787 /nfs/dbraw/zinc/80/37/87/1200803787.db2.gz IAEVQPZASNMHBD-LPHOPBHVSA-N 2 2 364.490 0.580 20 0 FCADLP COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001112582873 1200820659 /nfs/dbraw/zinc/82/06/59/1200820659.db2.gz SPKPTDJLEDLLKO-NSHGMRRFSA-N 2 2 365.518 0.962 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000789021628 1200985849 /nfs/dbraw/zinc/98/58/49/1200985849.db2.gz MPXZSMDTGCBQNQ-AEFFLSMTSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361498 1201068487 /nfs/dbraw/zinc/06/84/87/1201068487.db2.gz BYPBUTJLAAJGFB-QWHCGFSZSA-N 2 2 362.482 0.537 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361498 1201068495 /nfs/dbraw/zinc/06/84/95/1201068495.db2.gz BYPBUTJLAAJGFB-QWHCGFSZSA-N 2 2 362.482 0.537 20 0 FCADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368672 1201074386 /nfs/dbraw/zinc/07/43/86/1201074386.db2.gz OGWZXLAJIFPTGM-LPHOPBHVSA-N 2 2 364.490 0.515 20 0 FCADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@@H](CN3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000790368672 1201074399 /nfs/dbraw/zinc/07/43/99/1201074399.db2.gz OGWZXLAJIFPTGM-LPHOPBHVSA-N 2 2 364.490 0.515 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)nc(C2CC2)[nH+]1 ZINC001090460207 1201177552 /nfs/dbraw/zinc/17/75/52/1201177552.db2.gz SSPSXQIXYRDYSW-INMHGKMJSA-N 2 2 361.490 0.914 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCC1 ZINC000793712169 1201254896 /nfs/dbraw/zinc/25/48/96/1201254896.db2.gz ZSAUUFRDZUJQAS-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000793700024 1201259579 /nfs/dbraw/zinc/25/95/79/1201259579.db2.gz OBYDHXWAHWVAQF-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129411657 1201298057 /nfs/dbraw/zinc/29/80/57/1201298057.db2.gz AYAHPLGFVUTNEO-BMFZPTHFSA-N 2 2 361.450 0.021 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129411657 1201298060 /nfs/dbraw/zinc/29/80/60/1201298060.db2.gz AYAHPLGFVUTNEO-BMFZPTHFSA-N 2 2 361.450 0.021 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433880 1201314725 /nfs/dbraw/zinc/31/47/25/1201314725.db2.gz XGQQEJDGBJLMHQ-SJORKVTESA-N 2 2 364.494 0.388 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433880 1201314734 /nfs/dbraw/zinc/31/47/34/1201314734.db2.gz XGQQEJDGBJLMHQ-SJORKVTESA-N 2 2 364.494 0.388 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]([NH2+]CCCF)[C@@H](n3ccnn3)C2)c[nH+]1 ZINC001129910344 1201423485 /nfs/dbraw/zinc/42/34/85/1201423485.db2.gz OZTPLDYORORCHF-CABCVRRESA-N 2 2 363.441 0.919 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900810 1201433620 /nfs/dbraw/zinc/43/36/20/1201433620.db2.gz KIJLAEGNMZBXDT-BZUAXINKSA-N 2 2 358.442 0.967 20 0 FCADLP Cc1ccccc1OC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129900810 1201433622 /nfs/dbraw/zinc/43/36/22/1201433622.db2.gz KIJLAEGNMZBXDT-BZUAXINKSA-N 2 2 358.442 0.967 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941401 1201439957 /nfs/dbraw/zinc/43/99/57/1201439957.db2.gz YXVKLTUZCNTJTC-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930351 1201445830 /nfs/dbraw/zinc/44/58/30/1201445830.db2.gz FAUNGNDBHHCNFG-FMKPAKJESA-N 2 2 369.429 0.616 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129930411 1201446083 /nfs/dbraw/zinc/44/60/83/1201446083.db2.gz GJBJYPWBFNZCIB-FMKPAKJESA-N 2 2 369.429 0.616 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130085994 1201494151 /nfs/dbraw/zinc/49/41/51/1201494151.db2.gz GSXLOOOQVHIEPQ-MCIONIFRSA-N 2 2 361.450 0.355 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2nocc2C)[C@@H](n2ccnn2)C1 ZINC001130107221 1201502385 /nfs/dbraw/zinc/50/23/85/1201502385.db2.gz JWISPJWZBLWCLF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2nocc2C)[C@@H](n2ccnn2)C1 ZINC001130107221 1201502386 /nfs/dbraw/zinc/50/23/86/1201502386.db2.gz JWISPJWZBLWCLF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001130192948 1201530138 /nfs/dbraw/zinc/53/01/38/1201530138.db2.gz BYPDMJZNZXTYGL-ZNMIVQPWSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001130192948 1201530141 /nfs/dbraw/zinc/53/01/41/1201530141.db2.gz BYPDMJZNZXTYGL-ZNMIVQPWSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001130192948 1201530145 /nfs/dbraw/zinc/53/01/45/1201530145.db2.gz BYPDMJZNZXTYGL-ZNMIVQPWSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001130192948 1201530148 /nfs/dbraw/zinc/53/01/48/1201530148.db2.gz BYPDMJZNZXTYGL-ZNMIVQPWSA-N 2 2 364.494 0.633 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nc(-c2ccco2)no1 ZINC001130184390 1201536899 /nfs/dbraw/zinc/53/68/99/1201536899.db2.gz OJHUHDWURCXRTF-MBNYWOFBSA-N 2 2 363.418 0.816 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nc(-c2ccco2)no1 ZINC001130184390 1201536905 /nfs/dbraw/zinc/53/69/05/1201536905.db2.gz OJHUHDWURCXRTF-MBNYWOFBSA-N 2 2 363.418 0.816 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130249125 1201568979 /nfs/dbraw/zinc/56/89/79/1201568979.db2.gz KXUTZIGLBPUSPW-GJZGRUSLSA-N 2 2 362.478 0.389 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)[nH]1 ZINC001130249125 1201568983 /nfs/dbraw/zinc/56/89/83/1201568983.db2.gz KXUTZIGLBPUSPW-GJZGRUSLSA-N 2 2 362.478 0.389 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940911 1224692809 /nfs/dbraw/zinc/69/28/09/1224692809.db2.gz IDBRGILUCGKQKH-UYAOXDASSA-N 3 2 373.545 0.765 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940911 1224692812 /nfs/dbraw/zinc/69/28/12/1224692812.db2.gz IDBRGILUCGKQKH-UYAOXDASSA-N 3 2 373.545 0.765 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219943977 1224693765 /nfs/dbraw/zinc/69/37/65/1224693765.db2.gz IJQOEAAWQXIYSX-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219943977 1224693767 /nfs/dbraw/zinc/69/37/67/1224693767.db2.gz IJQOEAAWQXIYSX-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999270 1224722728 /nfs/dbraw/zinc/72/27/28/1224722728.db2.gz OLUCFBRJPLBNJO-RBUKOAKNSA-N 3 2 359.518 0.690 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011631 1224727500 /nfs/dbraw/zinc/72/75/00/1224727500.db2.gz YHIHOZYPXPTZES-KFWWJZLASA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011631 1224727504 /nfs/dbraw/zinc/72/75/04/1224727504.db2.gz YHIHOZYPXPTZES-KFWWJZLASA-N 2 2 365.478 0.046 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130638055 1202740608 /nfs/dbraw/zinc/74/06/08/1202740608.db2.gz ZMUIPAKRLAHFDI-YQQAZPJKSA-N 2 2 360.462 0.626 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000806501607 1202743156 /nfs/dbraw/zinc/74/31/56/1202743156.db2.gz ADLMWMAYKCNQIX-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130683038 1202755845 /nfs/dbraw/zinc/75/58/45/1202755845.db2.gz VMBHOMGXBBXWBU-YQQAZPJKSA-N 2 2 360.462 0.798 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1)OC ZINC001130698907 1202757991 /nfs/dbraw/zinc/75/79/91/1202757991.db2.gz WJACKWWZSMZZDH-IJEWVQPXSA-N 2 2 360.462 0.695 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130790337 1202798873 /nfs/dbraw/zinc/79/88/73/1202798873.db2.gz VBCITWAUTYUDJI-MELADBBJSA-N 2 2 368.457 0.684 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130790337 1202798878 /nfs/dbraw/zinc/79/88/78/1202798878.db2.gz VBCITWAUTYUDJI-MELADBBJSA-N 2 2 368.457 0.684 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130815890 1202806819 /nfs/dbraw/zinc/80/68/19/1202806819.db2.gz FHVNCXKONVVJJW-UONOGXRCSA-N 2 2 368.482 0.219 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130815890 1202806821 /nfs/dbraw/zinc/80/68/21/1202806821.db2.gz FHVNCXKONVVJJW-UONOGXRCSA-N 2 2 368.482 0.219 20 0 FCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807280768 1202816447 /nfs/dbraw/zinc/81/64/47/1202816447.db2.gz KTSICCYHHXYOCY-DLBZAZTESA-N 2 2 371.441 0.848 20 0 FCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000807280768 1202816449 /nfs/dbraw/zinc/81/64/49/1202816449.db2.gz KTSICCYHHXYOCY-DLBZAZTESA-N 2 2 371.441 0.848 20 0 FCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000807280771 1202816479 /nfs/dbraw/zinc/81/64/79/1202816479.db2.gz KTSICCYHHXYOCY-SJORKVTESA-N 2 2 371.441 0.848 20 0 FCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000807280771 1202816482 /nfs/dbraw/zinc/81/64/82/1202816482.db2.gz KTSICCYHHXYOCY-SJORKVTESA-N 2 2 371.441 0.848 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501679 1202849151 /nfs/dbraw/zinc/84/91/51/1202849151.db2.gz ULBIAIGFPYFQLU-KFWWJZLASA-N 2 2 362.478 0.702 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501679 1202849152 /nfs/dbraw/zinc/84/91/52/1202849152.db2.gz ULBIAIGFPYFQLU-KFWWJZLASA-N 2 2 362.478 0.702 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C)OC ZINC001131079692 1202860017 /nfs/dbraw/zinc/86/00/17/1202860017.db2.gz PBZUYBFSRYWETA-ARFHVFGLSA-N 2 2 360.462 0.695 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131079302 1202860135 /nfs/dbraw/zinc/86/01/35/1202860135.db2.gz KAUCYFHOAQCKAJ-ARFHVFGLSA-N 2 2 360.462 0.798 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130604 1202869081 /nfs/dbraw/zinc/86/90/81/1202869081.db2.gz VKLQBYHTLHPSKR-BZUAXINKSA-N 2 2 360.462 0.362 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC001086659937 1202872873 /nfs/dbraw/zinc/87/28/73/1202872873.db2.gz QYZCLMBGGIJTHE-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)no1 ZINC001086659937 1202872875 /nfs/dbraw/zinc/87/28/75/1202872875.db2.gz QYZCLMBGGIJTHE-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664835 1202887064 /nfs/dbraw/zinc/88/70/64/1202887064.db2.gz GGIXDZZZNPONLZ-XHSDSOJGSA-N 2 2 364.494 0.393 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664835 1202887065 /nfs/dbraw/zinc/88/70/65/1202887065.db2.gz GGIXDZZZNPONLZ-XHSDSOJGSA-N 2 2 364.494 0.393 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001086665699 1202888460 /nfs/dbraw/zinc/88/84/60/1202888460.db2.gz LQPQOCXALUGSGW-CFVMTHIKSA-N 2 2 362.478 0.387 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001086665699 1202888461 /nfs/dbraw/zinc/88/84/61/1202888461.db2.gz LQPQOCXALUGSGW-CFVMTHIKSA-N 2 2 362.478 0.387 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131516996 1202908049 /nfs/dbraw/zinc/90/80/49/1202908049.db2.gz FCHULMCFSBRVKD-KONPQCLYSA-N 2 2 362.474 0.881 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131516996 1202908051 /nfs/dbraw/zinc/90/80/51/1202908051.db2.gz FCHULMCFSBRVKD-KONPQCLYSA-N 2 2 362.474 0.881 20 0 FCADLP CC1(C)CO[C@H](C[NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001131613920 1202921684 /nfs/dbraw/zinc/92/16/84/1202921684.db2.gz RYRPHCBMEPBKJF-IKGGRYGDSA-N 2 2 369.506 0.387 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCC=CO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000805502502 1203003352 /nfs/dbraw/zinc/00/33/52/1203003352.db2.gz IVXFFCGGESVLBK-SJORKVTESA-N 2 2 364.490 0.422 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CCC=CO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000805502502 1203003354 /nfs/dbraw/zinc/00/33/54/1203003354.db2.gz IVXFFCGGESVLBK-SJORKVTESA-N 2 2 364.490 0.422 20 0 FCADLP CN(Cc1ccccc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134042938 1203011029 /nfs/dbraw/zinc/01/10/29/1203011029.db2.gz NTFROQBPFRLTPY-IAGOWNOFSA-N 2 2 369.469 0.888 20 0 FCADLP CC1CCC(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001134045777 1203011349 /nfs/dbraw/zinc/01/13/49/1203011349.db2.gz QEKIGKNTCQKPBA-QDIHITRGSA-N 2 2 361.490 0.924 20 0 FCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]cn1 ZINC001170779780 1203032542 /nfs/dbraw/zinc/03/25/42/1203032542.db2.gz QXEGMXNKZZENOX-WMLDXEAASA-N 2 2 372.448 0.935 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086732078 1203056744 /nfs/dbraw/zinc/05/67/44/1203056744.db2.gz UDWDCDQUKSKHLC-LXTVHRRPSA-N 2 2 365.478 0.726 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1=O ZINC001086733105 1203059191 /nfs/dbraw/zinc/05/91/91/1203059191.db2.gz TYZLUHQDKDHHOD-WCQYABFASA-N 2 2 369.429 0.673 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+]([C@H]1CCCOCC1)CC2 ZINC001170812353 1203060256 /nfs/dbraw/zinc/06/02/56/1203060256.db2.gz SUXUMOWENOUPDA-HNNXBMFYSA-N 2 2 361.490 0.735 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+]([C@H]1CCCOCC1)CC2 ZINC001170812353 1203060258 /nfs/dbraw/zinc/06/02/58/1203060258.db2.gz SUXUMOWENOUPDA-HNNXBMFYSA-N 2 2 361.490 0.735 20 0 FCADLP CN(C)C(=O)OC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000816655891 1203074717 /nfs/dbraw/zinc/07/47/17/1203074717.db2.gz WTJNMLLZFFAOPN-UHFFFAOYSA-N 2 2 362.478 0.891 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1cccc2[nH+]ccn21 ZINC001086756525 1203079987 /nfs/dbraw/zinc/07/99/87/1203079987.db2.gz CXCMBJJPQVPERG-MJBXVCDLSA-N 2 2 369.425 0.628 20 0 FCADLP Cc1c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(=O)n(-c2ccccc2)n1C ZINC001220111555 1224770719 /nfs/dbraw/zinc/77/07/19/1224770719.db2.gz UTGRWXXWHIBQHL-HNNXBMFYSA-N 2 2 354.414 0.726 20 0 FCADLP O=C(CCc1nc(N2CC[NH2+]CC2)no1)N1CCN(c2cccc[nH+]2)CC1 ZINC000823309940 1203255489 /nfs/dbraw/zinc/25/54/89/1203255489.db2.gz QCACZWGFNMAJBW-UHFFFAOYSA-N 2 2 371.445 0.156 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCF)cc1 ZINC001090867774 1203320340 /nfs/dbraw/zinc/32/03/40/1203320340.db2.gz XXFKEYXBYUUCDT-RCCFBDPRSA-N 2 2 365.449 0.879 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCF)cc1 ZINC001090867774 1203320342 /nfs/dbraw/zinc/32/03/42/1203320342.db2.gz XXFKEYXBYUUCDT-RCCFBDPRSA-N 2 2 365.449 0.879 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]CC(N)=O)cc1 ZINC001090881619 1203329268 /nfs/dbraw/zinc/32/92/68/1203329268.db2.gz IWWUKWOVSILSET-JKSUJKDBSA-N 2 2 357.414 0.030 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]C[C@H](C)O)cc1 ZINC001090885247 1203331690 /nfs/dbraw/zinc/33/16/90/1203331690.db2.gz XGVJKOHUQPBBOI-RRQGHBQHSA-N 2 2 358.442 0.926 20 0 FCADLP CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001090892546 1203334590 /nfs/dbraw/zinc/33/45/90/1203334590.db2.gz UGCPBQRMROMUJI-ZIAGYGMSSA-N 2 2 361.450 0.023 20 0 FCADLP CO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001090892546 1203334592 /nfs/dbraw/zinc/33/45/92/1203334592.db2.gz UGCPBQRMROMUJI-ZIAGYGMSSA-N 2 2 361.450 0.023 20 0 FCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233977 1224811609 /nfs/dbraw/zinc/81/16/09/1224811609.db2.gz OGEOLXAQFRLGFN-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233977 1224811611 /nfs/dbraw/zinc/81/16/11/1224811611.db2.gz OGEOLXAQFRLGFN-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273121 1224818166 /nfs/dbraw/zinc/81/81/66/1224818166.db2.gz CLBKPJIXBGZTJG-UAGQMJEPSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273121 1224818168 /nfs/dbraw/zinc/81/81/68/1224818168.db2.gz CLBKPJIXBGZTJG-UAGQMJEPSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220271695 1224818191 /nfs/dbraw/zinc/81/81/91/1224818191.db2.gz DJIYDSRYCAWZDT-SJORKVTESA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CCCC1 ZINC001220271695 1224818193 /nfs/dbraw/zinc/81/81/93/1224818193.db2.gz DJIYDSRYCAWZDT-SJORKVTESA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H]1O ZINC001220275025 1224818514 /nfs/dbraw/zinc/81/85/14/1224818514.db2.gz MHWYJQXPKGDIHP-PMPSAXMXSA-N 2 2 368.522 0.137 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H]1O ZINC001220275025 1224818516 /nfs/dbraw/zinc/81/85/16/1224818516.db2.gz MHWYJQXPKGDIHP-PMPSAXMXSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1OC ZINC001090911908 1204386859 /nfs/dbraw/zinc/38/68/59/1204386859.db2.gz GHCYQUSFZOSZQY-ZIAGYGMSSA-N 2 2 361.450 0.025 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1OC ZINC001090911908 1204386865 /nfs/dbraw/zinc/38/68/65/1204386865.db2.gz GHCYQUSFZOSZQY-ZIAGYGMSSA-N 2 2 361.450 0.025 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH+]1 ZINC001090989325 1204422452 /nfs/dbraw/zinc/42/24/52/1204422452.db2.gz XBDPGVVGTJORAO-TZMCWYRMSA-N 2 2 365.482 0.083 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)[nH+]1 ZINC001091016950 1204440201 /nfs/dbraw/zinc/44/02/01/1204440201.db2.gz LWGXFRYYIOCYGT-TZMCWYRMSA-N 2 2 361.494 0.847 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440567 1204500616 /nfs/dbraw/zinc/50/06/16/1204500616.db2.gz LLEJRGLLUVELDD-LSDHHAIUSA-N 2 2 372.510 0.668 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440567 1204500620 /nfs/dbraw/zinc/50/06/20/1204500620.db2.gz LLEJRGLLUVELDD-LSDHHAIUSA-N 2 2 372.510 0.668 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440561 1204500967 /nfs/dbraw/zinc/50/09/67/1204500967.db2.gz LLEJRGLLUVELDD-GJZGRUSLSA-N 2 2 372.510 0.668 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440561 1204500970 /nfs/dbraw/zinc/50/09/70/1204500970.db2.gz LLEJRGLLUVELDD-GJZGRUSLSA-N 2 2 372.510 0.668 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001091117982 1204518726 /nfs/dbraw/zinc/51/87/26/1204518726.db2.gz VZWKMSWDYBCFFL-SJORKVTESA-N 2 2 361.490 0.670 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001091117982 1204518730 /nfs/dbraw/zinc/51/87/30/1204518730.db2.gz VZWKMSWDYBCFFL-SJORKVTESA-N 2 2 361.490 0.670 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358123 1224842653 /nfs/dbraw/zinc/84/26/53/1224842653.db2.gz ZRYPFOACJSEKFE-XKQJLSEDSA-N 2 2 366.462 0.206 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220358123 1224842655 /nfs/dbraw/zinc/84/26/55/1224842655.db2.gz ZRYPFOACJSEKFE-XKQJLSEDSA-N 2 2 366.462 0.206 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846831001 1204667360 /nfs/dbraw/zinc/66/73/60/1204667360.db2.gz GJRRKZJTRHUBBF-GOSISDBHSA-N 2 2 365.478 0.914 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000846878383 1204670350 /nfs/dbraw/zinc/67/03/50/1204670350.db2.gz PXDSHJCUCAQFDI-HNNXBMFYSA-N 2 2 360.414 0.758 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359512 1224843456 /nfs/dbraw/zinc/84/34/56/1224843456.db2.gz PIOHFQNSGDTKRP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359512 1224843459 /nfs/dbraw/zinc/84/34/59/1224843459.db2.gz PIOHFQNSGDTKRP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359512 1224843464 /nfs/dbraw/zinc/84/34/64/1224843464.db2.gz PIOHFQNSGDTKRP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359512 1224843467 /nfs/dbraw/zinc/84/34/67/1224843467.db2.gz PIOHFQNSGDTKRP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543941 1204707463 /nfs/dbraw/zinc/70/74/63/1204707463.db2.gz RAQGPHZLGBJKBW-SUMDDJOVSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091543941 1204707466 /nfs/dbraw/zinc/70/74/66/1204707466.db2.gz RAQGPHZLGBJKBW-SUMDDJOVSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091543941 1204707468 /nfs/dbraw/zinc/70/74/68/1204707468.db2.gz RAQGPHZLGBJKBW-SUMDDJOVSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091543941 1204707474 /nfs/dbraw/zinc/70/74/74/1204707474.db2.gz RAQGPHZLGBJKBW-SUMDDJOVSA-N 2 2 360.506 0.981 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543756 1204708753 /nfs/dbraw/zinc/70/87/53/1204708753.db2.gz OLDMJSKPKYLFJD-XUWXXGDYSA-N 2 2 359.478 0.383 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543756 1204708757 /nfs/dbraw/zinc/70/87/57/1204708757.db2.gz OLDMJSKPKYLFJD-XUWXXGDYSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543756 1204708760 /nfs/dbraw/zinc/70/87/60/1204708760.db2.gz OLDMJSKPKYLFJD-XUWXXGDYSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@]2(C)C1 ZINC001091543756 1204708762 /nfs/dbraw/zinc/70/87/62/1204708762.db2.gz OLDMJSKPKYLFJD-XUWXXGDYSA-N 2 2 359.478 0.383 20 0 FCADLP CCO[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091668469 1204813406 /nfs/dbraw/zinc/81/34/06/1204813406.db2.gz OFEHHEXCNVYVOL-HZPDHXFCSA-N 2 2 365.478 0.639 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738417 1204837802 /nfs/dbraw/zinc/83/78/02/1204837802.db2.gz XIECCZOLNGYBGM-SUMDDJOVSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738417 1204837804 /nfs/dbraw/zinc/83/78/04/1204837804.db2.gz XIECCZOLNGYBGM-SUMDDJOVSA-N 2 2 360.506 0.919 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754176 1204844036 /nfs/dbraw/zinc/84/40/36/1204844036.db2.gz HMJAATYXUCZJGS-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754176 1204844037 /nfs/dbraw/zinc/84/40/37/1204844037.db2.gz HMJAATYXUCZJGS-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754176 1204844039 /nfs/dbraw/zinc/84/40/39/1204844039.db2.gz HMJAATYXUCZJGS-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754176 1204844041 /nfs/dbraw/zinc/84/40/41/1204844041.db2.gz HMJAATYXUCZJGS-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091754534 1204844391 /nfs/dbraw/zinc/84/43/91/1204844391.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 2 355.446 0.585 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091754534 1204844393 /nfs/dbraw/zinc/84/43/93/1204844393.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 2 355.446 0.585 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091754534 1204844395 /nfs/dbraw/zinc/84/43/95/1204844395.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 2 355.446 0.585 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091754534 1204844396 /nfs/dbraw/zinc/84/43/96/1204844396.db2.gz TWPKKMFMDVFBEF-ADAWSYLGSA-N 2 2 355.446 0.585 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C(=O)OC)cc2)CC1 ZINC001149004886 1204845843 /nfs/dbraw/zinc/84/58/43/1204845843.db2.gz LRBCUNHGVNIJAI-SFHVURJKSA-N 2 2 374.485 0.758 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C(=O)OC)cc2)CC1 ZINC001149004886 1204845844 /nfs/dbraw/zinc/84/58/44/1204845844.db2.gz LRBCUNHGVNIJAI-SFHVURJKSA-N 2 2 374.485 0.758 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087038378 1204916215 /nfs/dbraw/zinc/91/62/15/1204916215.db2.gz DFGIMGXJBDQNEI-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087038378 1204916223 /nfs/dbraw/zinc/91/62/23/1204916223.db2.gz DFGIMGXJBDQNEI-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087038671 1204917108 /nfs/dbraw/zinc/91/71/08/1204917108.db2.gz SFFOILYQZXYEDS-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC001087038671 1204917112 /nfs/dbraw/zinc/91/71/12/1204917112.db2.gz SFFOILYQZXYEDS-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087034650 1204923856 /nfs/dbraw/zinc/92/38/56/1204923856.db2.gz PPPSDURNLXQIHF-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087034650 1204923860 /nfs/dbraw/zinc/92/38/60/1204923860.db2.gz PPPSDURNLXQIHF-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087066808 1204954327 /nfs/dbraw/zinc/95/43/27/1204954327.db2.gz WFVAXEVBNLBOQX-IJEWVQPXSA-N 2 2 371.441 0.290 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087066900 1204955585 /nfs/dbraw/zinc/95/55/85/1204955585.db2.gz AKPGNYAAFLAIMB-HUUCEWRRSA-N 2 2 362.434 0.536 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087059108 1204966343 /nfs/dbraw/zinc/96/63/43/1204966343.db2.gz RFMNTZVHJSBMQB-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001087059108 1204966347 /nfs/dbraw/zinc/96/63/47/1204966347.db2.gz RFMNTZVHJSBMQB-FVQBIDKESA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087093930 1204986815 /nfs/dbraw/zinc/98/68/15/1204986815.db2.gz KCXMOLJDWSGZFK-UKRRQHHQSA-N 2 2 361.450 0.217 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087098587 1204992812 /nfs/dbraw/zinc/99/28/12/1204992812.db2.gz CETNLTCPOUNXRR-CZUORRHYSA-N 2 2 361.450 0.042 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087098823 1204994953 /nfs/dbraw/zinc/99/49/53/1204994953.db2.gz PHKFMCGQRVQYSS-RHSMWYFYSA-N 2 2 360.462 0.647 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091795256 1205015469 /nfs/dbraw/zinc/01/54/69/1205015469.db2.gz PPFXZGVXOJZAEZ-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091795256 1205015471 /nfs/dbraw/zinc/01/54/71/1205015471.db2.gz PPFXZGVXOJZAEZ-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819042 1205041489 /nfs/dbraw/zinc/04/14/89/1205041489.db2.gz OHDWQZQBPSPBRE-PBHICJAKSA-N 2 2 359.478 0.119 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819042 1205041493 /nfs/dbraw/zinc/04/14/93/1205041493.db2.gz OHDWQZQBPSPBRE-PBHICJAKSA-N 2 2 359.478 0.119 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092026539 1205122330 /nfs/dbraw/zinc/12/23/30/1205122330.db2.gz RMWIEGJDOGCSDI-ZIGSKRJUSA-N 2 2 369.473 0.633 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092026539 1205122331 /nfs/dbraw/zinc/12/23/31/1205122331.db2.gz RMWIEGJDOGCSDI-ZIGSKRJUSA-N 2 2 369.473 0.633 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056501 1205127174 /nfs/dbraw/zinc/12/71/74/1205127174.db2.gz GVCZWNWMXNNLKU-CLCXKQKWSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092056501 1205127180 /nfs/dbraw/zinc/12/71/80/1205127180.db2.gz GVCZWNWMXNNLKU-CLCXKQKWSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049343 1205140119 /nfs/dbraw/zinc/14/01/19/1205140119.db2.gz AFBYTJBFRVYEGM-LIVBEALHSA-N 2 2 371.485 0.886 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092049343 1205140121 /nfs/dbraw/zinc/14/01/21/1205140121.db2.gz AFBYTJBFRVYEGM-LIVBEALHSA-N 2 2 371.485 0.886 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC1 ZINC001092130265 1205169385 /nfs/dbraw/zinc/16/93/85/1205169385.db2.gz UIBCQYDAFRATJF-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](Cc4ncnn4C)C[C@@]3(C)C2)CC1 ZINC001092130265 1205169388 /nfs/dbraw/zinc/16/93/88/1205169388.db2.gz UIBCQYDAFRATJF-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092131101 1205169607 /nfs/dbraw/zinc/16/96/07/1205169607.db2.gz OHUYRSQVAODRKY-CLCXKQKWSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092131101 1205169611 /nfs/dbraw/zinc/16/96/11/1205169611.db2.gz OHUYRSQVAODRKY-CLCXKQKWSA-N 2 2 359.474 0.742 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC001220440661 1224872366 /nfs/dbraw/zinc/87/23/66/1224872366.db2.gz GHYHXTSPCLBXCO-BZSNNMDCSA-N 2 2 358.486 0.710 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H](O)C2)cn1 ZINC001220442101 1224872954 /nfs/dbraw/zinc/87/29/54/1224872954.db2.gz XPAQFKMFSCMJNK-OIISXLGYSA-N 2 2 360.462 0.455 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H](O)C2)cn1 ZINC001220442101 1224872958 /nfs/dbraw/zinc/87/29/58/1224872958.db2.gz XPAQFKMFSCMJNK-OIISXLGYSA-N 2 2 360.462 0.455 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092195496 1205189918 /nfs/dbraw/zinc/18/99/18/1205189918.db2.gz QRHLDZLWGHVVOE-KSMMKXTCSA-N 2 2 368.441 0.535 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092195496 1205189921 /nfs/dbraw/zinc/18/99/21/1205189921.db2.gz QRHLDZLWGHVVOE-KSMMKXTCSA-N 2 2 368.441 0.535 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092242497 1205210182 /nfs/dbraw/zinc/21/01/82/1205210182.db2.gz MYSVFEDSAVNGLT-KDOFPFPSSA-N 2 2 357.462 0.462 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092242497 1205210187 /nfs/dbraw/zinc/21/01/87/1205210187.db2.gz MYSVFEDSAVNGLT-KDOFPFPSSA-N 2 2 357.462 0.462 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001092314240 1205243994 /nfs/dbraw/zinc/24/39/94/1205243994.db2.gz BYGZJXUAKANUTL-HUUCEWRRSA-N 2 2 357.462 0.958 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001092314240 1205243996 /nfs/dbraw/zinc/24/39/96/1205243996.db2.gz BYGZJXUAKANUTL-HUUCEWRRSA-N 2 2 357.462 0.958 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001092314534 1205244434 /nfs/dbraw/zinc/24/44/34/1205244434.db2.gz MYNFKHBEKXASCO-HUUCEWRRSA-N 2 2 357.462 0.958 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](Cc1ccc(C(N)=O)cc1)C2 ZINC001092317220 1205246228 /nfs/dbraw/zinc/24/62/28/1205246228.db2.gz LMEKWHLIFCIIMK-XLIONFOSSA-N 2 2 367.453 0.963 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1)C2 ZINC001092317220 1205246232 /nfs/dbraw/zinc/24/62/32/1205246232.db2.gz LMEKWHLIFCIIMK-XLIONFOSSA-N 2 2 367.453 0.963 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)cc1=O ZINC001092317200 1205246679 /nfs/dbraw/zinc/24/66/79/1205246679.db2.gz JSCPTTIDHLFXQD-APWZRJJASA-N 2 2 355.442 0.562 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)cc1=O ZINC001092317200 1205246682 /nfs/dbraw/zinc/24/66/82/1205246682.db2.gz JSCPTTIDHLFXQD-APWZRJJASA-N 2 2 355.442 0.562 20 0 FCADLP CC(C)n1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523646 1205303176 /nfs/dbraw/zinc/30/31/76/1205303176.db2.gz LHCROXASJBWYAC-NUJGCVRESA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523646 1205303181 /nfs/dbraw/zinc/30/31/81/1205303181.db2.gz LHCROXASJBWYAC-NUJGCVRESA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523646 1205303184 /nfs/dbraw/zinc/30/31/84/1205303184.db2.gz LHCROXASJBWYAC-NUJGCVRESA-N 2 2 363.506 0.979 20 0 FCADLP CC(C)n1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523646 1205303187 /nfs/dbraw/zinc/30/31/87/1205303187.db2.gz LHCROXASJBWYAC-NUJGCVRESA-N 2 2 363.506 0.979 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001092740103 1205349362 /nfs/dbraw/zinc/34/93/62/1205349362.db2.gz INTRHPVPDLGLHA-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001092740103 1205349363 /nfs/dbraw/zinc/34/93/63/1205349363.db2.gz INTRHPVPDLGLHA-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092742514 1205350000 /nfs/dbraw/zinc/35/00/00/1205350000.db2.gz USMQGJDYIFNDQJ-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092742514 1205350003 /nfs/dbraw/zinc/35/00/03/1205350003.db2.gz USMQGJDYIFNDQJ-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753252 1205351553 /nfs/dbraw/zinc/35/15/53/1205351553.db2.gz CYQBXVPUIJFBCS-XJKCOSOUSA-N 2 2 363.462 0.265 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753252 1205351555 /nfs/dbraw/zinc/35/15/55/1205351555.db2.gz CYQBXVPUIJFBCS-XJKCOSOUSA-N 2 2 363.462 0.265 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092825137 1205359164 /nfs/dbraw/zinc/35/91/64/1205359164.db2.gz NXZNOXRQTVMOKZ-IIAWOOMASA-N 2 2 355.442 0.863 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092825137 1205359166 /nfs/dbraw/zinc/35/91/66/1205359166.db2.gz NXZNOXRQTVMOKZ-IIAWOOMASA-N 2 2 355.442 0.863 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092980263 1205965809 /nfs/dbraw/zinc/96/58/09/1205965809.db2.gz WLSISKUVZQSNGV-KLHDSHLOSA-N 2 2 359.474 0.440 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092980263 1205965816 /nfs/dbraw/zinc/96/58/16/1205965816.db2.gz WLSISKUVZQSNGV-KLHDSHLOSA-N 2 2 359.474 0.440 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C)[NH+](C)C ZINC001092991807 1205974869 /nfs/dbraw/zinc/97/48/69/1205974869.db2.gz AZMBGZSZUWMLIB-RZFFKMDDSA-N 2 2 357.462 0.929 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001093006846 1205979332 /nfs/dbraw/zinc/97/93/32/1205979332.db2.gz WMZKCVDVLJCEAR-YUELXQCFSA-N 2 2 357.462 0.931 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001093006846 1205979338 /nfs/dbraw/zinc/97/93/38/1205979338.db2.gz WMZKCVDVLJCEAR-YUELXQCFSA-N 2 2 357.462 0.931 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220547784 1224921991 /nfs/dbraw/zinc/92/19/91/1224921991.db2.gz HILUAARMGZEJDU-SJORKVTESA-N 2 2 361.446 0.884 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220547784 1224921997 /nfs/dbraw/zinc/92/19/97/1224921997.db2.gz HILUAARMGZEJDU-SJORKVTESA-N 2 2 361.446 0.884 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208729 1206056653 /nfs/dbraw/zinc/05/66/53/1206056653.db2.gz CYSVDTACKAUJHM-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208729 1206056658 /nfs/dbraw/zinc/05/66/58/1206056658.db2.gz CYSVDTACKAUJHM-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208729 1206056661 /nfs/dbraw/zinc/05/66/61/1206056661.db2.gz CYSVDTACKAUJHM-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H](C)C2)nn1 ZINC001093208729 1206056664 /nfs/dbraw/zinc/05/66/64/1206056664.db2.gz CYSVDTACKAUJHM-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001093274681 1206069299 /nfs/dbraw/zinc/06/92/99/1206069299.db2.gz RVALIMUWSPDSCS-MCIONIFRSA-N 2 2 361.446 0.222 20 0 FCADLP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093281939 1206072017 /nfs/dbraw/zinc/07/20/17/1206072017.db2.gz WMQFAMLPPWLWSI-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093871650 1206138349 /nfs/dbraw/zinc/13/83/49/1206138349.db2.gz TYUQSUXECPHBHX-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093871493 1206138429 /nfs/dbraw/zinc/13/84/29/1206138429.db2.gz NPFPMSPIKQJWQR-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093873073 1206139212 /nfs/dbraw/zinc/13/92/12/1206139212.db2.gz HPMVEFHALUONLP-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093873039 1206139322 /nfs/dbraw/zinc/13/93/22/1206139322.db2.gz HACYPTPYSSNTKA-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001093857128 1206146032 /nfs/dbraw/zinc/14/60/32/1206146032.db2.gz QSDJUEJMCYWLQU-FVQBIDKESA-N 2 2 360.458 0.595 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+][C@H]3CCCNC3=O)[C@H](C)C2)c[nH+]1 ZINC001093856895 1206146324 /nfs/dbraw/zinc/14/63/24/1206146324.db2.gz KHIHTQCPBDYULQ-BMFZPTHFSA-N 2 2 361.490 0.889 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)n1 ZINC001093934203 1206161679 /nfs/dbraw/zinc/16/16/79/1206161679.db2.gz IAEOZUXLBMVPGP-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)C1=O ZINC001093933936 1206161865 /nfs/dbraw/zinc/16/18/65/1206161865.db2.gz CVUOMSHUDJKWTG-BZUAXINKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094033843 1206173024 /nfs/dbraw/zinc/17/30/24/1206173024.db2.gz CQZUJUMXHYLHPW-NFAWXSAZSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)c1nnnn1C1CC1 ZINC001094074516 1206179835 /nfs/dbraw/zinc/17/98/35/1206179835.db2.gz FGDIEWVJYXZHOM-JHJVBQTASA-N 2 2 358.450 0.719 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001094133172 1206190125 /nfs/dbraw/zinc/19/01/25/1206190125.db2.gz XYMBRCLSVUOJJD-IIAWOOMASA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001094133171 1206190210 /nfs/dbraw/zinc/19/02/10/1206190210.db2.gz XYMBRCLSVUOJJD-FMKPAKJESA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001094166610 1206197765 /nfs/dbraw/zinc/19/77/65/1206197765.db2.gz HARFTNBGLHOHLL-BZUAXINKSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001094167232 1206198305 /nfs/dbraw/zinc/19/83/05/1206198305.db2.gz ZSGTXUFHTMMXFZ-RHSMWYFYSA-N 2 2 369.469 0.946 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cn(CC2CC2)nn1 ZINC001094167153 1206198418 /nfs/dbraw/zinc/19/84/18/1206198418.db2.gz XDOMOLAOCBXMKJ-GDBMZVCRSA-N 2 2 371.489 0.848 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC001094189890 1206205109 /nfs/dbraw/zinc/20/51/09/1206205109.db2.gz RJTYZXOYFLUMFG-TZMCWYRMSA-N 2 2 360.466 0.712 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)no1 ZINC001094232223 1206208352 /nfs/dbraw/zinc/20/83/52/1206208352.db2.gz PUWPRNVVCHNSAB-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)no1 ZINC001094232223 1206208353 /nfs/dbraw/zinc/20/83/53/1206208353.db2.gz PUWPRNVVCHNSAB-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094244382 1206210156 /nfs/dbraw/zinc/21/01/56/1206210156.db2.gz QFVSNMLYKSDGHQ-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094244383 1206210269 /nfs/dbraw/zinc/21/02/69/1206210269.db2.gz QFVSNMLYKSDGHQ-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384894 1206222386 /nfs/dbraw/zinc/22/23/86/1206222386.db2.gz PTODHTQJOKWRGM-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384894 1206222387 /nfs/dbraw/zinc/22/23/87/1206222387.db2.gz PTODHTQJOKWRGM-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@H+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384894 1206222389 /nfs/dbraw/zinc/22/23/89/1206222389.db2.gz PTODHTQJOKWRGM-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)nn1 ZINC001094384894 1206222390 /nfs/dbraw/zinc/22/23/90/1206222390.db2.gz PTODHTQJOKWRGM-LZLYRXPVSA-N 2 2 362.478 0.007 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384951 1206222502 /nfs/dbraw/zinc/22/25/02/1206222502.db2.gz SVHZLGHNIGQVRN-LZLYRXPVSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nonc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384951 1206222504 /nfs/dbraw/zinc/22/25/04/1206222504.db2.gz SVHZLGHNIGQVRN-LZLYRXPVSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nonc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384951 1206222507 /nfs/dbraw/zinc/22/25/07/1206222507.db2.gz SVHZLGHNIGQVRN-LZLYRXPVSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nonc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384951 1206222510 /nfs/dbraw/zinc/22/25/10/1206222510.db2.gz SVHZLGHNIGQVRN-LZLYRXPVSA-N 2 2 363.462 0.569 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450582 1206228435 /nfs/dbraw/zinc/22/84/35/1206228435.db2.gz VGCLPVKLMXVVRJ-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450582 1206228436 /nfs/dbraw/zinc/22/84/36/1206228436.db2.gz VGCLPVKLMXVVRJ-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450582 1206228437 /nfs/dbraw/zinc/22/84/37/1206228437.db2.gz VGCLPVKLMXVVRJ-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450582 1206228438 /nfs/dbraw/zinc/22/84/38/1206228438.db2.gz VGCLPVKLMXVVRJ-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1=O ZINC001172041625 1206255832 /nfs/dbraw/zinc/25/58/32/1206255832.db2.gz SVQLGQXNRJVXJD-INIZCTEOSA-N 2 2 370.457 0.705 20 0 FCADLP CCN1CC[C@H]([N@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1=O ZINC001172041625 1206255839 /nfs/dbraw/zinc/25/58/39/1206255839.db2.gz SVQLGQXNRJVXJD-INIZCTEOSA-N 2 2 370.457 0.705 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001220568632 1224940369 /nfs/dbraw/zinc/94/03/69/1224940369.db2.gz WVFXXJCMMYBCJM-SJORKVTESA-N 2 2 370.538 0.527 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001220568632 1224940379 /nfs/dbraw/zinc/94/03/79/1224940379.db2.gz WVFXXJCMMYBCJM-SJORKVTESA-N 2 2 370.538 0.527 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001220568632 1224940388 /nfs/dbraw/zinc/94/03/88/1224940388.db2.gz WVFXXJCMMYBCJM-SJORKVTESA-N 2 2 370.538 0.527 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001220568632 1224940392 /nfs/dbraw/zinc/94/03/92/1224940392.db2.gz WVFXXJCMMYBCJM-SJORKVTESA-N 2 2 370.538 0.527 20 0 FCADLP c1cn(Cc2nnn3c2C[N@@H+]([C@H]2CCC[C@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752213 1206287509 /nfs/dbraw/zinc/28/75/09/1206287509.db2.gz KQCTZYQFZWVJHU-GJZGRUSLSA-N 2 2 368.449 0.899 20 0 FCADLP c1cn(Cc2nnn3c2C[N@H+]([C@H]2CCC[C@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752213 1206287511 /nfs/dbraw/zinc/28/75/11/1206287511.db2.gz KQCTZYQFZWVJHU-GJZGRUSLSA-N 2 2 368.449 0.899 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001178692888 1206362638 /nfs/dbraw/zinc/36/26/38/1206362638.db2.gz UWROWXFEVOJNIV-APWZRJJASA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001178692888 1206362643 /nfs/dbraw/zinc/36/26/43/1206362643.db2.gz UWROWXFEVOJNIV-APWZRJJASA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001178692888 1206362646 /nfs/dbraw/zinc/36/26/46/1206362646.db2.gz UWROWXFEVOJNIV-APWZRJJASA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001178692888 1206362649 /nfs/dbraw/zinc/36/26/49/1206362649.db2.gz UWROWXFEVOJNIV-APWZRJJASA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001180759801 1206399180 /nfs/dbraw/zinc/39/91/80/1206399180.db2.gz RISOADRIONXJEB-QIIPPGSGSA-N 2 2 364.421 0.405 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001180759801 1206399181 /nfs/dbraw/zinc/39/91/81/1206399181.db2.gz RISOADRIONXJEB-QIIPPGSGSA-N 2 2 364.421 0.405 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760771 1206399277 /nfs/dbraw/zinc/39/92/77/1206399277.db2.gz VFYUPADNKILOLJ-JQHSSLGASA-N 2 2 363.433 0.820 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760771 1206399279 /nfs/dbraw/zinc/39/92/79/1206399279.db2.gz VFYUPADNKILOLJ-JQHSSLGASA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760771 1206399281 /nfs/dbraw/zinc/39/92/81/1206399281.db2.gz VFYUPADNKILOLJ-JQHSSLGASA-N 2 2 363.433 0.820 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001180760771 1206399285 /nfs/dbraw/zinc/39/92/85/1206399285.db2.gz VFYUPADNKILOLJ-JQHSSLGASA-N 2 2 363.433 0.820 20 0 FCADLP CCOC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181151290 1206405574 /nfs/dbraw/zinc/40/55/74/1206405574.db2.gz QGVDOGVXIFZFOH-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CCOC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181151290 1206405577 /nfs/dbraw/zinc/40/55/77/1206405577.db2.gz QGVDOGVXIFZFOH-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CC(=O)NC1CC1 ZINC001181781154 1206414756 /nfs/dbraw/zinc/41/47/56/1206414756.db2.gz IBIRBAALNFAZKP-QEPJRFBGSA-N 2 2 359.474 0.866 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CC(=O)NC1CC1 ZINC001181781154 1206414758 /nfs/dbraw/zinc/41/47/58/1206414758.db2.gz IBIRBAALNFAZKP-QEPJRFBGSA-N 2 2 359.474 0.866 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183402378 1206452738 /nfs/dbraw/zinc/45/27/38/1206452738.db2.gz GRHWKJACIUBHPJ-FVQBIDKESA-N 2 2 371.441 0.955 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]3(C)CCOC3)CC2)C1=O ZINC001184382650 1206469616 /nfs/dbraw/zinc/46/96/16/1206469616.db2.gz JPNUKULJZAJBEC-SFHVURJKSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]3(C)CCOC3)CC2)C1=O ZINC001184382650 1206469619 /nfs/dbraw/zinc/46/96/19/1206469619.db2.gz JPNUKULJZAJBEC-SFHVURJKSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H]2C[NH+](CC3CC3)C[C@H](C1)O2 ZINC001185225182 1206475984 /nfs/dbraw/zinc/47/59/84/1206475984.db2.gz BUTYMRPZEYBLIO-ZCNNSNEGSA-N 2 2 373.497 0.801 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H]2C[NH+](CC3CC3)C[C@H](C1)O2 ZINC001185225182 1206475986 /nfs/dbraw/zinc/47/59/86/1206475986.db2.gz BUTYMRPZEYBLIO-ZCNNSNEGSA-N 2 2 373.497 0.801 20 0 FCADLP C[NH+](Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001185225182 1206475988 /nfs/dbraw/zinc/47/59/88/1206475988.db2.gz BUTYMRPZEYBLIO-ZCNNSNEGSA-N 2 2 373.497 0.801 20 0 FCADLP C[NH+](Cc1ccccc1)[C@@H](CO)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001185225182 1206475990 /nfs/dbraw/zinc/47/59/90/1206475990.db2.gz BUTYMRPZEYBLIO-ZCNNSNEGSA-N 2 2 373.497 0.801 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2ccncc2F)C2CC[NH2+]CC2)C1 ZINC001186107447 1206493486 /nfs/dbraw/zinc/49/34/86/1206493486.db2.gz QAMNDFBBANZCDT-ZDUSSCGKSA-N 2 2 364.421 0.801 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2ccncc2F)C2CC[NH2+]CC2)C1 ZINC001186107447 1206493487 /nfs/dbraw/zinc/49/34/87/1206493487.db2.gz QAMNDFBBANZCDT-ZDUSSCGKSA-N 2 2 364.421 0.801 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186354089 1206495894 /nfs/dbraw/zinc/49/58/94/1206495894.db2.gz VZPWNSRHHVLXRE-TXPKVOOTSA-N 2 2 367.490 0.583 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186354089 1206495895 /nfs/dbraw/zinc/49/58/95/1206495895.db2.gz VZPWNSRHHVLXRE-TXPKVOOTSA-N 2 2 367.490 0.583 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)CCc4[nH]cc[nH+]4)(C2)C3)CC1 ZINC001273544095 1207377762 /nfs/dbraw/zinc/37/77/62/1207377762.db2.gz NEZUAZBGFAWLMU-UHFFFAOYSA-N 2 2 359.474 0.934 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001273544631 1207379250 /nfs/dbraw/zinc/37/92/50/1207379250.db2.gz RXTSFUXCQZKUNT-HNNXBMFYSA-N 2 2 361.490 0.991 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158772 1207432908 /nfs/dbraw/zinc/43/29/08/1207432908.db2.gz OVJAFCIKJSOGFF-RYQLBKOJSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158772 1207432911 /nfs/dbraw/zinc/43/29/11/1207432911.db2.gz OVJAFCIKJSOGFF-RYQLBKOJSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158772 1207432912 /nfs/dbraw/zinc/43/29/12/1207432912.db2.gz OVJAFCIKJSOGFF-RYQLBKOJSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158772 1207432914 /nfs/dbraw/zinc/43/29/14/1207432914.db2.gz OVJAFCIKJSOGFF-RYQLBKOJSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323619 1207443911 /nfs/dbraw/zinc/44/39/11/1207443911.db2.gz XBKGQZGVNLUGNH-YYIAUSFCSA-N 2 2 366.506 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323619 1207443915 /nfs/dbraw/zinc/44/39/15/1207443915.db2.gz XBKGQZGVNLUGNH-YYIAUSFCSA-N 2 2 366.506 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323619 1207443919 /nfs/dbraw/zinc/44/39/19/1207443919.db2.gz XBKGQZGVNLUGNH-YYIAUSFCSA-N 2 2 366.506 0.105 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323619 1207443923 /nfs/dbraw/zinc/44/39/23/1207443923.db2.gz XBKGQZGVNLUGNH-YYIAUSFCSA-N 2 2 366.506 0.105 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126430 1207509482 /nfs/dbraw/zinc/50/94/82/1207509482.db2.gz IAXUCZIOTVLRGK-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126430 1207509484 /nfs/dbraw/zinc/50/94/84/1207509484.db2.gz IAXUCZIOTVLRGK-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126430 1207509486 /nfs/dbraw/zinc/50/94/86/1207509486.db2.gz IAXUCZIOTVLRGK-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189126430 1207509487 /nfs/dbraw/zinc/50/94/87/1207509487.db2.gz IAXUCZIOTVLRGK-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167653 1207520812 /nfs/dbraw/zinc/52/08/12/1207520812.db2.gz ZBWNCFHMKVFIJO-BVIKNXMNSA-N 2 2 373.501 0.925 20 0 FCADLP CCc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189820101 1207605407 /nfs/dbraw/zinc/60/54/07/1207605407.db2.gz PGDGXVZRDHGABT-QLFBSQMISA-N 2 2 365.478 0.804 20 0 FCADLP CCc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)o1 ZINC001189820101 1207605416 /nfs/dbraw/zinc/60/54/16/1207605416.db2.gz PGDGXVZRDHGABT-QLFBSQMISA-N 2 2 365.478 0.804 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189998790 1207634592 /nfs/dbraw/zinc/63/45/92/1207634592.db2.gz GMXVSPADAXQFJX-YQQAZPJKSA-N 2 2 361.490 0.800 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189998790 1207634596 /nfs/dbraw/zinc/63/45/96/1207634596.db2.gz GMXVSPADAXQFJX-YQQAZPJKSA-N 2 2 361.490 0.800 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190184532 1207653365 /nfs/dbraw/zinc/65/33/65/1207653365.db2.gz GAZTZRUUTNIVBH-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190184532 1207653367 /nfs/dbraw/zinc/65/33/67/1207653367.db2.gz GAZTZRUUTNIVBH-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001190363684 1207680767 /nfs/dbraw/zinc/68/07/67/1207680767.db2.gz WVMXAVIAUFDZMD-DOTOQJQBSA-N 2 2 362.474 0.769 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001190363684 1207680773 /nfs/dbraw/zinc/68/07/73/1207680773.db2.gz WVMXAVIAUFDZMD-DOTOQJQBSA-N 2 2 362.474 0.769 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001190363684 1207680779 /nfs/dbraw/zinc/68/07/79/1207680779.db2.gz WVMXAVIAUFDZMD-DOTOQJQBSA-N 2 2 362.474 0.769 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001190363684 1207680783 /nfs/dbraw/zinc/68/07/83/1207680783.db2.gz WVMXAVIAUFDZMD-DOTOQJQBSA-N 2 2 362.474 0.769 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001190370595 1207682965 /nfs/dbraw/zinc/68/29/65/1207682965.db2.gz GLPYRWLVYLSSFW-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001190370595 1207682969 /nfs/dbraw/zinc/68/29/69/1207682969.db2.gz GLPYRWLVYLSSFW-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001190370595 1207682976 /nfs/dbraw/zinc/68/29/76/1207682976.db2.gz GLPYRWLVYLSSFW-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001190370595 1207682980 /nfs/dbraw/zinc/68/29/80/1207682980.db2.gz GLPYRWLVYLSSFW-YESZJQIVSA-N 2 2 366.506 0.012 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901382 1207731531 /nfs/dbraw/zinc/73/15/31/1207731531.db2.gz XVZFMXOVKPZNED-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901382 1207731538 /nfs/dbraw/zinc/73/15/38/1207731538.db2.gz XVZFMXOVKPZNED-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901382 1207731543 /nfs/dbraw/zinc/73/15/43/1207731543.db2.gz XVZFMXOVKPZNED-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901382 1207731549 /nfs/dbraw/zinc/73/15/49/1207731549.db2.gz XVZFMXOVKPZNED-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCNC(=O)C2CC2)C1 ZINC001192426248 1207830869 /nfs/dbraw/zinc/83/08/69/1207830869.db2.gz OPZDSZZHZORYEZ-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCNC(=O)C2CC2)C1 ZINC001192426248 1207830870 /nfs/dbraw/zinc/83/08/70/1207830870.db2.gz OPZDSZZHZORYEZ-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001192632969 1207841159 /nfs/dbraw/zinc/84/11/59/1207841159.db2.gz OTKRUKAJXHJOKG-BRWVUGGUSA-N 2 2 358.442 0.107 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001192632969 1207841160 /nfs/dbraw/zinc/84/11/60/1207841160.db2.gz OTKRUKAJXHJOKG-BRWVUGGUSA-N 2 2 358.442 0.107 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193085299 1207857730 /nfs/dbraw/zinc/85/77/30/1207857730.db2.gz IKKCLDGJEJLZKQ-QBPKDAKJSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193085299 1207857732 /nfs/dbraw/zinc/85/77/32/1207857732.db2.gz IKKCLDGJEJLZKQ-QBPKDAKJSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193085299 1207857733 /nfs/dbraw/zinc/85/77/33/1207857733.db2.gz IKKCLDGJEJLZKQ-QBPKDAKJSA-N 2 2 368.522 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193085299 1207857735 /nfs/dbraw/zinc/85/77/35/1207857735.db2.gz IKKCLDGJEJLZKQ-QBPKDAKJSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132055 1207860858 /nfs/dbraw/zinc/86/08/58/1207860858.db2.gz XVMUEOUBIDLMAA-BRWVUGGUSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132055 1207860860 /nfs/dbraw/zinc/86/08/60/1207860860.db2.gz XVMUEOUBIDLMAA-BRWVUGGUSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001193132055 1207860861 /nfs/dbraw/zinc/86/08/61/1207860861.db2.gz XVMUEOUBIDLMAA-BRWVUGGUSA-N 2 2 365.478 0.376 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001193132055 1207860864 /nfs/dbraw/zinc/86/08/64/1207860864.db2.gz XVMUEOUBIDLMAA-BRWVUGGUSA-N 2 2 365.478 0.376 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774011 1207887837 /nfs/dbraw/zinc/88/78/37/1207887837.db2.gz FTXFWXJBACDABG-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791892 1207889175 /nfs/dbraw/zinc/88/91/75/1207889175.db2.gz SMMRVVLZBNXQBO-KURKYZTESA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791892 1207889177 /nfs/dbraw/zinc/88/91/77/1207889177.db2.gz SMMRVVLZBNXQBO-KURKYZTESA-N 2 2 363.506 0.774 20 0 FCADLP Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756505 1207890256 /nfs/dbraw/zinc/89/02/56/1207890256.db2.gz SEMXPEUZRXKKST-CEXWTWQISA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756505 1207890258 /nfs/dbraw/zinc/89/02/58/1207890258.db2.gz SEMXPEUZRXKKST-CEXWTWQISA-N 2 2 371.485 0.483 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001193954065 1207901551 /nfs/dbraw/zinc/90/15/51/1207901551.db2.gz POWUCXCTLFEMHD-NUJGCVRESA-N 2 2 363.506 0.395 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001193954065 1207901557 /nfs/dbraw/zinc/90/15/57/1207901557.db2.gz POWUCXCTLFEMHD-NUJGCVRESA-N 2 2 363.506 0.395 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193954607 1207901650 /nfs/dbraw/zinc/90/16/50/1207901650.db2.gz YEWATEDDTNUNTD-NUJGCVRESA-N 2 2 364.490 0.728 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001193954607 1207901653 /nfs/dbraw/zinc/90/16/53/1207901653.db2.gz YEWATEDDTNUNTD-NUJGCVRESA-N 2 2 364.490 0.728 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)cn1 ZINC001194989246 1207987385 /nfs/dbraw/zinc/98/73/85/1207987385.db2.gz XYGHPLNCLFWRTK-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C2)cn1 ZINC001194989246 1207987387 /nfs/dbraw/zinc/98/73/87/1207987387.db2.gz XYGHPLNCLFWRTK-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C2)cn1 ZINC001194989246 1207987389 /nfs/dbraw/zinc/98/73/89/1207987389.db2.gz XYGHPLNCLFWRTK-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)C2)cn1 ZINC001194989246 1207987391 /nfs/dbraw/zinc/98/73/91/1207987391.db2.gz XYGHPLNCLFWRTK-QZTJIDSGSA-N 2 2 363.506 0.736 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CCCC1 ZINC001194997968 1207988260 /nfs/dbraw/zinc/98/82/60/1207988260.db2.gz VJROWMRLGMTXOC-HUUCEWRRSA-N 2 2 368.522 0.327 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)CCCC1 ZINC001194997968 1207988264 /nfs/dbraw/zinc/98/82/64/1207988264.db2.gz VJROWMRLGMTXOC-HUUCEWRRSA-N 2 2 368.522 0.327 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)cn1 ZINC001195007157 1207989454 /nfs/dbraw/zinc/98/94/54/1207989454.db2.gz YWMBUHBBHYYSDN-IAGOWNOFSA-N 2 2 361.490 0.711 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3([NH+](C)C)CCCC3)C2)cn1 ZINC001195007157 1207989456 /nfs/dbraw/zinc/98/94/56/1207989456.db2.gz YWMBUHBBHYYSDN-IAGOWNOFSA-N 2 2 361.490 0.711 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001195594434 1208026913 /nfs/dbraw/zinc/02/69/13/1208026913.db2.gz NCICWBHIYPUADN-KURKYZTESA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001195594434 1208026916 /nfs/dbraw/zinc/02/69/16/1208026916.db2.gz NCICWBHIYPUADN-KURKYZTESA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001195594434 1208026919 /nfs/dbraw/zinc/02/69/19/1208026919.db2.gz NCICWBHIYPUADN-KURKYZTESA-N 2 2 369.506 0.074 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001195661336 1208033855 /nfs/dbraw/zinc/03/38/55/1208033855.db2.gz MGBHJLGQFLCZAS-HZPDHXFCSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001195661336 1208033859 /nfs/dbraw/zinc/03/38/59/1208033859.db2.gz MGBHJLGQFLCZAS-HZPDHXFCSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1coc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)n1 ZINC001195753461 1208038633 /nfs/dbraw/zinc/03/86/33/1208038633.db2.gz MYHBHLDRIXVUHM-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP Cc1coc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)n1 ZINC001195753461 1208038637 /nfs/dbraw/zinc/03/86/37/1208038637.db2.gz MYHBHLDRIXVUHM-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1O ZINC001195822103 1208041985 /nfs/dbraw/zinc/04/19/85/1208041985.db2.gz XMNGPYDABGGQMB-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1O ZINC001195822103 1208041986 /nfs/dbraw/zinc/04/19/86/1208041986.db2.gz XMNGPYDABGGQMB-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1O ZINC001195822103 1208041992 /nfs/dbraw/zinc/04/19/92/1208041992.db2.gz XMNGPYDABGGQMB-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1O ZINC001195822103 1208041996 /nfs/dbraw/zinc/04/19/96/1208041996.db2.gz XMNGPYDABGGQMB-GVDBMIGSSA-N 2 2 365.478 0.054 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)NCCCOC)CC2)CC[N@@H+]1C ZINC001195894112 1208043422 /nfs/dbraw/zinc/04/34/22/1208043422.db2.gz RISJCMQLCHBGCE-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(=O)NCCCOC)CC2)CC[N@H+]1C ZINC001195894112 1208043427 /nfs/dbraw/zinc/04/34/27/1208043427.db2.gz RISJCMQLCHBGCE-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CC(=O)NCCCOC)CC2)CC[NH+]1C ZINC001195894112 1208043430 /nfs/dbraw/zinc/04/34/30/1208043430.db2.gz RISJCMQLCHBGCE-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CC(=O)NCCCOC)CC2)CC[NH+]1C ZINC001195894112 1208043433 /nfs/dbraw/zinc/04/34/33/1208043433.db2.gz RISJCMQLCHBGCE-DLBZAZTESA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869403 1208045010 /nfs/dbraw/zinc/04/50/10/1208045010.db2.gz CLBKPJIXBGZTJG-USXIJHARSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869403 1208045013 /nfs/dbraw/zinc/04/50/13/1208045013.db2.gz CLBKPJIXBGZTJG-USXIJHARSA-N 2 2 368.522 0.184 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1O)CC(C)(C)C ZINC001196199418 1208064403 /nfs/dbraw/zinc/06/44/03/1208064403.db2.gz GBONUXOCFYBROX-HZPDHXFCSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O)CC(C)(C)C ZINC001196199418 1208064409 /nfs/dbraw/zinc/06/44/09/1208064409.db2.gz GBONUXOCFYBROX-HZPDHXFCSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O)CC(C)(C)C ZINC001196199418 1208064411 /nfs/dbraw/zinc/06/44/11/1208064411.db2.gz GBONUXOCFYBROX-HZPDHXFCSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCOC[C@@H]3CCCO3)CC2)O1 ZINC001196269311 1208069953 /nfs/dbraw/zinc/06/99/53/1208069953.db2.gz SKXNAYTXXMYPOB-FGTMMUONSA-N 2 2 369.506 0.435 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCOC[C@@H]3CCCO3)CC2)O1 ZINC001196269311 1208069956 /nfs/dbraw/zinc/06/99/56/1208069956.db2.gz SKXNAYTXXMYPOB-FGTMMUONSA-N 2 2 369.506 0.435 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCOC[C@@H]3CCCO3)CC2)O1 ZINC001196269311 1208069962 /nfs/dbraw/zinc/06/99/62/1208069962.db2.gz SKXNAYTXXMYPOB-FGTMMUONSA-N 2 2 369.506 0.435 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638099 1208098561 /nfs/dbraw/zinc/09/85/61/1208098561.db2.gz PYYILPRHRBVXAT-DJIMGWMZSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638099 1208098562 /nfs/dbraw/zinc/09/85/62/1208098562.db2.gz PYYILPRHRBVXAT-DJIMGWMZSA-N 2 2 368.522 0.040 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197049621 1208130657 /nfs/dbraw/zinc/13/06/57/1208130657.db2.gz OKCCVLKOFAMBNL-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197049621 1208130662 /nfs/dbraw/zinc/13/06/62/1208130662.db2.gz OKCCVLKOFAMBNL-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001198017795 1208211449 /nfs/dbraw/zinc/21/14/49/1208211449.db2.gz MBBJFVSKMUAPPF-OALUTQOASA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001198017795 1208211450 /nfs/dbraw/zinc/21/14/50/1208211450.db2.gz MBBJFVSKMUAPPF-OALUTQOASA-N 2 2 363.502 0.885 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110511470 1208261868 /nfs/dbraw/zinc/26/18/68/1208261868.db2.gz FRPPZCQPTWBWFV-FPCVCCKLSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001110511470 1208261870 /nfs/dbraw/zinc/26/18/70/1208261870.db2.gz FRPPZCQPTWBWFV-FPCVCCKLSA-N 2 2 359.474 0.980 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198689600 1208278087 /nfs/dbraw/zinc/27/80/87/1208278087.db2.gz ODRVTOYYTZJGDC-CGTJXYLNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198689600 1208278089 /nfs/dbraw/zinc/27/80/89/1208278089.db2.gz ODRVTOYYTZJGDC-CGTJXYLNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC001198688410 1208283488 /nfs/dbraw/zinc/28/34/88/1208283488.db2.gz FFWZAKBNXLRNPM-BHIYHBOVSA-N 2 2 361.486 0.625 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC001198688410 1208283490 /nfs/dbraw/zinc/28/34/90/1208283490.db2.gz FFWZAKBNXLRNPM-BHIYHBOVSA-N 2 2 361.486 0.625 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744486 1208285835 /nfs/dbraw/zinc/28/58/35/1208285835.db2.gz TUPRKWPYCKBWDZ-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744486 1208285838 /nfs/dbraw/zinc/28/58/38/1208285838.db2.gz TUPRKWPYCKBWDZ-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064499 1208315210 /nfs/dbraw/zinc/31/52/10/1208315210.db2.gz KTRKAXPGTBLWGY-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064499 1208315211 /nfs/dbraw/zinc/31/52/11/1208315211.db2.gz KTRKAXPGTBLWGY-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071159 1208316032 /nfs/dbraw/zinc/31/60/32/1208316032.db2.gz LTPBBRJDCKGKOK-NVXWUHKLSA-N 2 2 364.494 0.144 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071159 1208316034 /nfs/dbraw/zinc/31/60/34/1208316034.db2.gz LTPBBRJDCKGKOK-NVXWUHKLSA-N 2 2 364.494 0.144 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O)Cc1ccccc1 ZINC001199384901 1208345281 /nfs/dbraw/zinc/34/52/81/1208345281.db2.gz QMCUTNUMKJWAIH-RTBURBONSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1O)Cc1ccccc1 ZINC001199384901 1208345284 /nfs/dbraw/zinc/34/52/84/1208345284.db2.gz QMCUTNUMKJWAIH-RTBURBONSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O)Cc1ccccc1 ZINC001199384901 1208345287 /nfs/dbraw/zinc/34/52/87/1208345287.db2.gz QMCUTNUMKJWAIH-RTBURBONSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1O)Cc1ccccc1 ZINC001199384901 1208345289 /nfs/dbraw/zinc/34/52/89/1208345289.db2.gz QMCUTNUMKJWAIH-RTBURBONSA-N 2 2 361.486 0.849 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125260 1208447694 /nfs/dbraw/zinc/44/76/94/1208447694.db2.gz OQJVDCUPFHLICG-HUUCEWRRSA-N 2 2 362.478 0.801 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125260 1208447696 /nfs/dbraw/zinc/44/76/96/1208447696.db2.gz OQJVDCUPFHLICG-HUUCEWRRSA-N 2 2 362.478 0.801 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569068 1208461309 /nfs/dbraw/zinc/46/13/09/1208461309.db2.gz BWLCTGMTFVFJTP-TVFCKZIOSA-N 2 2 362.518 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569068 1208461313 /nfs/dbraw/zinc/46/13/13/1208461313.db2.gz BWLCTGMTFVFJTP-TVFCKZIOSA-N 2 2 362.518 0.966 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1 ZINC001220772844 1225066230 /nfs/dbraw/zinc/06/62/30/1225066230.db2.gz SKYFMVINPQYVPM-QAPCUYQASA-N 2 2 362.405 0.720 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C[NH2+]C2 ZINC001220786310 1225071966 /nfs/dbraw/zinc/07/19/66/1225071966.db2.gz USSMLBBGTLWJAL-FMKPAKJESA-N 2 2 355.446 0.347 20 0 FCADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001489192808 1208656975 /nfs/dbraw/zinc/65/69/75/1208656975.db2.gz FQBDATHLVPTIHZ-YPMHNXCESA-N 2 2 370.413 0.152 20 0 FCADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001489192808 1208656981 /nfs/dbraw/zinc/65/69/81/1208656981.db2.gz FQBDATHLVPTIHZ-YPMHNXCESA-N 2 2 370.413 0.152 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001489205088 1208667794 /nfs/dbraw/zinc/66/77/94/1208667794.db2.gz CXHVJSLJPHRCEY-CVEARBPZSA-N 2 2 359.474 0.269 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]2C1 ZINC001489205088 1208667795 /nfs/dbraw/zinc/66/77/95/1208667795.db2.gz CXHVJSLJPHRCEY-CVEARBPZSA-N 2 2 359.474 0.269 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802325 1225081416 /nfs/dbraw/zinc/08/14/16/1225081416.db2.gz VFRFMVJBAKZEHG-BBWFWOEESA-N 2 2 370.538 0.430 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802325 1225081422 /nfs/dbraw/zinc/08/14/22/1225081422.db2.gz VFRFMVJBAKZEHG-BBWFWOEESA-N 2 2 370.538 0.430 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209742 1208675025 /nfs/dbraw/zinc/67/50/25/1208675025.db2.gz YZYCDDHTHPXVAO-BBWFWOEESA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209742 1208675027 /nfs/dbraw/zinc/67/50/27/1208675027.db2.gz YZYCDDHTHPXVAO-BBWFWOEESA-N 2 2 361.490 0.920 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220831038 1225095260 /nfs/dbraw/zinc/09/52/60/1225095260.db2.gz NTIQSUVRZRTTDV-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220831038 1225095271 /nfs/dbraw/zinc/09/52/71/1225095271.db2.gz NTIQSUVRZRTTDV-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220831038 1225095281 /nfs/dbraw/zinc/09/52/81/1225095281.db2.gz NTIQSUVRZRTTDV-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220831038 1225095289 /nfs/dbraw/zinc/09/52/89/1225095289.db2.gz NTIQSUVRZRTTDV-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001489608034 1208963645 /nfs/dbraw/zinc/96/36/45/1208963645.db2.gz UFYGMNCNHRLPQI-OAGGEKHMSA-N 2 2 365.478 0.254 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001489608034 1208963662 /nfs/dbraw/zinc/96/36/62/1208963662.db2.gz UFYGMNCNHRLPQI-OAGGEKHMSA-N 2 2 365.478 0.254 20 0 FCADLP CCOC(=O)[C@@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001220875919 1225120271 /nfs/dbraw/zinc/12/02/71/1225120271.db2.gz BGDKUAIMJDGKRA-IRXDYDNUSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128496 1209533966 /nfs/dbraw/zinc/53/39/66/1209533966.db2.gz PTWUIRJGDPQZQI-GDBMZVCRSA-N 2 2 365.478 0.391 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128496 1209533971 /nfs/dbraw/zinc/53/39/71/1209533971.db2.gz PTWUIRJGDPQZQI-GDBMZVCRSA-N 2 2 365.478 0.391 20 0 FCADLP C[C@H](CC[NH+]1CC[C@H](N2CCOC2=O)C1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437493 1209549094 /nfs/dbraw/zinc/54/90/94/1209549094.db2.gz YKYDBGALGBLKLQ-PMPSAXMXSA-N 2 2 366.462 0.818 20 0 FCADLP C[C@H](CC[NH+]1CC[C@H](N2CCOC2=O)C1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437493 1209549100 /nfs/dbraw/zinc/54/91/00/1209549100.db2.gz YKYDBGALGBLKLQ-PMPSAXMXSA-N 2 2 366.462 0.818 20 0 FCADLP O=C(CC[NH2+]C[C@@H](O)c1ccccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000853099749 1209583513 /nfs/dbraw/zinc/58/35/13/1209583513.db2.gz YQWLVUOXRURCLU-QGZVFWFLSA-N 2 2 355.442 0.839 20 0 FCADLP [NH3+]CCn1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000854146032 1209616969 /nfs/dbraw/zinc/61/69/69/1209616969.db2.gz ASEFDUCQSLQYBM-OAHLLOKOSA-N 2 2 355.402 0.860 20 0 FCADLP [NH3+]CCn1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)nn1 ZINC000854146032 1209616972 /nfs/dbraw/zinc/61/69/72/1209616972.db2.gz ASEFDUCQSLQYBM-OAHLLOKOSA-N 2 2 355.402 0.860 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001110714679 1209734175 /nfs/dbraw/zinc/73/41/75/1209734175.db2.gz CALARJFQOZLNFT-TVFCKZIOSA-N 2 2 373.501 0.760 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001110714679 1209734181 /nfs/dbraw/zinc/73/41/81/1209734181.db2.gz CALARJFQOZLNFT-TVFCKZIOSA-N 2 2 373.501 0.760 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000861736276 1209878126 /nfs/dbraw/zinc/87/81/26/1209878126.db2.gz XTVMRLZICIUBMR-MRXNPFEDSA-N 2 2 370.457 0.648 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110817256 1209910344 /nfs/dbraw/zinc/91/03/44/1209910344.db2.gz UWCMSVYBCDYJLC-DZUCGIPZSA-N 2 2 359.474 0.828 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110817256 1209910346 /nfs/dbraw/zinc/91/03/46/1209910346.db2.gz UWCMSVYBCDYJLC-DZUCGIPZSA-N 2 2 359.474 0.828 20 0 FCADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)/C=C\C[NH+]3CCOCC3)cc21 ZINC000865054304 1209969568 /nfs/dbraw/zinc/96/95/68/1209969568.db2.gz VZLJMNHCZBQXDZ-ARJAWSKDSA-N 2 2 374.441 0.983 20 0 FCADLP COc1ccnc(C2(CNC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)CCOCC2)c1 ZINC001220990797 1225178083 /nfs/dbraw/zinc/17/80/83/1225178083.db2.gz ZKZPGPYGBIKTNW-CLCXKQKWSA-N 2 2 360.458 0.476 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000866215242 1209994183 /nfs/dbraw/zinc/99/41/83/1209994183.db2.gz HVJTZEIKVUBLLF-PDGUBNMISA-N 2 2 359.470 0.628 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000866215242 1209994189 /nfs/dbraw/zinc/99/41/89/1209994189.db2.gz HVJTZEIKVUBLLF-PDGUBNMISA-N 2 2 359.470 0.628 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000868310542 1210051800 /nfs/dbraw/zinc/05/18/00/1210051800.db2.gz VEXVILDJOUHTFO-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063046 1225205200 /nfs/dbraw/zinc/20/52/00/1225205200.db2.gz KAFFHOTYTDTMSG-OALUTQOASA-N 3 2 359.518 0.518 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063046 1225205203 /nfs/dbraw/zinc/20/52/03/1225205203.db2.gz KAFFHOTYTDTMSG-OALUTQOASA-N 3 2 359.518 0.518 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703785 1210318124 /nfs/dbraw/zinc/31/81/24/1210318124.db2.gz XUCHWZJXDXYJNM-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703785 1210318127 /nfs/dbraw/zinc/31/81/27/1210318127.db2.gz XUCHWZJXDXYJNM-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874703785 1210318130 /nfs/dbraw/zinc/31/81/30/1210318130.db2.gz XUCHWZJXDXYJNM-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000874703785 1210318133 /nfs/dbraw/zinc/31/81/33/1210318133.db2.gz XUCHWZJXDXYJNM-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000875193426 1210349064 /nfs/dbraw/zinc/34/90/64/1210349064.db2.gz AOSZNBPEEJFBQE-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000875193426 1210349067 /nfs/dbraw/zinc/34/90/67/1210349067.db2.gz AOSZNBPEEJFBQE-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000875394639 1210370992 /nfs/dbraw/zinc/37/09/92/1210370992.db2.gz TXNXHUWHMBNYHZ-KURKYZTESA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000875394639 1210370997 /nfs/dbraw/zinc/37/09/97/1210370997.db2.gz TXNXHUWHMBNYHZ-KURKYZTESA-N 2 2 368.522 0.774 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221073531 1225210913 /nfs/dbraw/zinc/21/09/13/1225210913.db2.gz ZRWZGZKQYNOJOW-NXHRZFHOSA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221073531 1225210919 /nfs/dbraw/zinc/21/09/19/1225210919.db2.gz ZRWZGZKQYNOJOW-NXHRZFHOSA-N 2 2 361.490 0.883 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201786 1210439287 /nfs/dbraw/zinc/43/92/87/1210439287.db2.gz QQNMJRWSBJWDOE-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP CC(C)C[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)n1cc[nH+]c1 ZINC000877260294 1210441390 /nfs/dbraw/zinc/44/13/90/1210441390.db2.gz XJHILWXFZPIRQA-JJXSEGSLSA-N 2 2 361.446 0.864 20 0 FCADLP CN1CC[NH+](CC2CC[NH+](Cc3cn(C[C@H]4CCCO4)nn3)CC2)CC1 ZINC000877524945 1210447122 /nfs/dbraw/zinc/44/71/22/1210447122.db2.gz LOKBUEXYMNDLQV-LJQANCHMSA-N 2 2 362.522 0.917 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221081217 1225213421 /nfs/dbraw/zinc/21/34/21/1225213421.db2.gz GMBCLODKPPBYLV-JQHSSLGASA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221081217 1225213426 /nfs/dbraw/zinc/21/34/26/1225213426.db2.gz GMBCLODKPPBYLV-JQHSSLGASA-N 2 2 361.490 0.883 20 0 FCADLP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(=O)NC1CC1 ZINC001202552693 1210651404 /nfs/dbraw/zinc/65/14/04/1210651404.db2.gz PDHMSFNPYKBSFK-DAXOMENPSA-N 2 2 359.474 0.771 20 0 FCADLP CC(=O)N1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@@H]2C1 ZINC000883416635 1210666177 /nfs/dbraw/zinc/66/61/77/1210666177.db2.gz ACRHMCUPVFNUMS-IXDOHACOSA-N 2 2 363.506 0.275 20 0 FCADLP CC(=O)N1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@@H]2C1 ZINC000883416635 1210666178 /nfs/dbraw/zinc/66/61/78/1210666178.db2.gz ACRHMCUPVFNUMS-IXDOHACOSA-N 2 2 363.506 0.275 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883436870 1210667632 /nfs/dbraw/zinc/66/76/32/1210667632.db2.gz CYVLHPFMGXJBOD-QGZVFWFLSA-N 2 2 366.506 0.605 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000883640631 1210677580 /nfs/dbraw/zinc/67/75/80/1210677580.db2.gz UYJNBAKALBCWLY-GOSISDBHSA-N 2 2 374.485 0.079 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[NH+]1CCCC1 ZINC001006378183 1210701433 /nfs/dbraw/zinc/70/14/33/1210701433.db2.gz BSLZPZOIPWWISX-HHARLNAUSA-N 2 2 371.485 0.868 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221586 1210724079 /nfs/dbraw/zinc/72/40/79/1210724079.db2.gz VNNLDTVNEVHLLL-KRWDZBQOSA-N 3 2 372.517 0.390 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221586 1210724082 /nfs/dbraw/zinc/72/40/82/1210724082.db2.gz VNNLDTVNEVHLLL-KRWDZBQOSA-N 3 2 372.517 0.390 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884528087 1210745650 /nfs/dbraw/zinc/74/56/50/1210745650.db2.gz GFHGOUYWISVSOM-UHFFFAOYSA-N 2 2 363.421 0.913 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1C(F)(F)F ZINC000884527966 1210745727 /nfs/dbraw/zinc/74/57/27/1210745727.db2.gz DEXJZMOESKZNCR-NWDGAFQWSA-N 2 2 369.347 0.546 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000884643446 1210771534 /nfs/dbraw/zinc/77/15/34/1210771534.db2.gz HYKDYMKJTFICIU-HUUCEWRRSA-N 2 2 359.474 0.671 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884644347 1210771782 /nfs/dbraw/zinc/77/17/82/1210771782.db2.gz LZKJYTNAPNYHPW-STQMWFEESA-N 2 2 367.400 0.138 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884682672 1210780126 /nfs/dbraw/zinc/78/01/26/1210780126.db2.gz HWBBWJDLZWLCHI-DLBZAZTESA-N 2 2 355.442 0.999 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001221151543 1225240591 /nfs/dbraw/zinc/24/05/91/1225240591.db2.gz IFGROYZHZBFCEO-INIZCTEOSA-N 2 2 370.457 0.908 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC[NH2+]1 ZINC000884718697 1210787844 /nfs/dbraw/zinc/78/78/44/1210787844.db2.gz NAFPMWIBRNGPBW-PVAVHDDUSA-N 2 2 355.442 0.997 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000884926504 1210804333 /nfs/dbraw/zinc/80/43/33/1210804333.db2.gz YEZZZNSXBWZWBJ-BRWVUGGUSA-N 2 2 366.506 0.333 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000884984320 1210806994 /nfs/dbraw/zinc/80/69/94/1210806994.db2.gz WKHZVUYCPDTCOB-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000884984320 1210806997 /nfs/dbraw/zinc/80/69/97/1210806997.db2.gz WKHZVUYCPDTCOB-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)cc1 ZINC000885020457 1210809203 /nfs/dbraw/zinc/80/92/03/1210809203.db2.gz KBUVCIJGZWXKFI-RDJZCZTQSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)cc1 ZINC000885020457 1210809206 /nfs/dbraw/zinc/80/92/06/1210809206.db2.gz KBUVCIJGZWXKFI-RDJZCZTQSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)cc1 ZINC000885020453 1210809277 /nfs/dbraw/zinc/80/92/77/1210809277.db2.gz KBUVCIJGZWXKFI-DOTOQJQBSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C2)cc1 ZINC000885020453 1210809281 /nfs/dbraw/zinc/80/92/81/1210809281.db2.gz KBUVCIJGZWXKFI-DOTOQJQBSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000885020458 1210809531 /nfs/dbraw/zinc/80/95/31/1210809531.db2.gz KBUVCIJGZWXKFI-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000885020458 1210809533 /nfs/dbraw/zinc/80/95/33/1210809533.db2.gz KBUVCIJGZWXKFI-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001221154129 1225242218 /nfs/dbraw/zinc/24/22/18/1225242218.db2.gz CEFHUCOCMNKOMM-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001221154129 1225242222 /nfs/dbraw/zinc/24/22/22/1225242222.db2.gz CEFHUCOCMNKOMM-SJORKVTESA-N 2 2 366.506 0.036 20 0 FCADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000885155790 1210813633 /nfs/dbraw/zinc/81/36/33/1210813633.db2.gz BHXKNKMZVDPZDE-DLBZAZTESA-N 2 2 367.453 0.946 20 0 FCADLP CO[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946976190 1210833495 /nfs/dbraw/zinc/83/34/95/1210833495.db2.gz XYEOWJKJBKILPS-HZPDHXFCSA-N 2 2 363.462 0.026 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221155006 1225242969 /nfs/dbraw/zinc/24/29/69/1225242969.db2.gz YFGACCNQBUPHSZ-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221155006 1225242974 /nfs/dbraw/zinc/24/29/74/1225242974.db2.gz YFGACCNQBUPHSZ-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCCNC3=O)nc2)cc1 ZINC001221155116 1225243070 /nfs/dbraw/zinc/24/30/70/1225243070.db2.gz GZWBMWCPCVCRAE-MRXNPFEDSA-N 2 2 368.441 0.890 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756680 1210948323 /nfs/dbraw/zinc/94/83/23/1210948323.db2.gz OEODFXFNVRAUBO-CVEARBPZSA-N 2 2 372.473 0.894 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001110877677 1211007599 /nfs/dbraw/zinc/00/75/99/1211007599.db2.gz YWAUMVBHDYMRRN-QXSJWSMHSA-N 2 2 355.446 0.774 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001110877677 1211007602 /nfs/dbraw/zinc/00/76/02/1211007602.db2.gz YWAUMVBHDYMRRN-QXSJWSMHSA-N 2 2 355.446 0.774 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274410006 1211046692 /nfs/dbraw/zinc/04/66/92/1211046692.db2.gz YXPGJQYCYPKFNY-SQNIBIBYSA-N 2 2 361.490 0.669 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274410006 1211046697 /nfs/dbraw/zinc/04/66/97/1211046697.db2.gz YXPGJQYCYPKFNY-SQNIBIBYSA-N 2 2 361.490 0.669 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274422129 1211051285 /nfs/dbraw/zinc/05/12/85/1211051285.db2.gz PWBITELIDDLKIP-HDICACEKSA-N 2 2 361.490 0.671 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3COCC[NH+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694050 1211103593 /nfs/dbraw/zinc/10/35/93/1211103593.db2.gz HMFNFSCYCBRCLZ-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3COCC[NH+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694050 1211103595 /nfs/dbraw/zinc/10/35/95/1211103595.db2.gz HMFNFSCYCBRCLZ-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3COCC[N@@H+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694050 1211103600 /nfs/dbraw/zinc/10/36/00/1211103600.db2.gz HMFNFSCYCBRCLZ-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3COCC[N@H+]3Cc3ccccc3)C[C@@H](C1)O2 ZINC001274694050 1211103602 /nfs/dbraw/zinc/10/36/02/1211103602.db2.gz HMFNFSCYCBRCLZ-QRVBRYPASA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+](C)CCN1CCO[C@@]2(CCCN(C(=O)Cc3cc[nH+]c(N)c3)C2)C1 ZINC001274947266 1211150257 /nfs/dbraw/zinc/15/02/57/1211150257.db2.gz MIYZDEYQOGCTFM-IBGZPJMESA-N 2 2 361.490 0.461 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201106 1225267398 /nfs/dbraw/zinc/26/73/98/1225267398.db2.gz BMZJDPIXABPBBK-LSDHHAIUSA-N 2 2 361.425 0.456 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cn2c(n1)COCC2 ZINC001275148265 1211180306 /nfs/dbraw/zinc/18/03/06/1211180306.db2.gz JEINGSIXBQUVGI-LJQANCHMSA-N 2 2 361.490 0.932 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cn2c(n1)COCC2 ZINC001275148265 1211180309 /nfs/dbraw/zinc/18/03/09/1211180309.db2.gz JEINGSIXBQUVGI-LJQANCHMSA-N 2 2 361.490 0.932 20 0 FCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149223 1211181610 /nfs/dbraw/zinc/18/16/10/1211181610.db2.gz VCVSIEQDTWBWJH-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149223 1211181613 /nfs/dbraw/zinc/18/16/13/1211181613.db2.gz VCVSIEQDTWBWJH-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)[nH]n1 ZINC001275165923 1211186698 /nfs/dbraw/zinc/18/66/98/1211186698.db2.gz WYWHTZGIHYNSNR-GOSISDBHSA-N 2 2 356.430 0.956 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)[nH]n1 ZINC001275165923 1211186699 /nfs/dbraw/zinc/18/66/99/1211186699.db2.gz WYWHTZGIHYNSNR-GOSISDBHSA-N 2 2 356.430 0.956 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275176158 1211189363 /nfs/dbraw/zinc/18/93/63/1211189363.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 2 2 365.566 0.498 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275176158 1211189368 /nfs/dbraw/zinc/18/93/68/1211189368.db2.gz HGRQGDHCRJPPHL-UYAOXDASSA-N 2 2 365.566 0.498 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275176154 1211189580 /nfs/dbraw/zinc/18/95/80/1211189580.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 2 2 365.566 0.498 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275176154 1211189586 /nfs/dbraw/zinc/18/95/86/1211189586.db2.gz HGRQGDHCRJPPHL-ICSRJNTNSA-N 2 2 365.566 0.498 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275262012 1211205107 /nfs/dbraw/zinc/20/51/07/1211205107.db2.gz VWJBBWSTQSQGCD-SFHVURJKSA-N 2 2 356.430 0.843 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275262012 1211205109 /nfs/dbraw/zinc/20/51/09/1211205109.db2.gz VWJBBWSTQSQGCD-SFHVURJKSA-N 2 2 356.430 0.843 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275391928 1211229674 /nfs/dbraw/zinc/22/96/74/1211229674.db2.gz BTCLJBLFCOQAKD-GOSISDBHSA-N 2 2 361.446 0.206 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O ZINC001275391928 1211229676 /nfs/dbraw/zinc/22/96/76/1211229676.db2.gz BTCLJBLFCOQAKD-GOSISDBHSA-N 2 2 361.446 0.206 20 0 FCADLP Cn1cnnc1CNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275455374 1211242194 /nfs/dbraw/zinc/24/21/94/1211242194.db2.gz JCVXSUZSZVCVHG-AWEZNQCLSA-N 2 2 355.446 0.541 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275456245 1211242428 /nfs/dbraw/zinc/24/24/28/1211242428.db2.gz XOPTXKAEZHIYSE-GOSISDBHSA-N 2 2 354.414 0.288 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@@]2(C1)CN(Cc1ncccn1)C(=O)CO2 ZINC001275456245 1211242431 /nfs/dbraw/zinc/24/24/31/1211242431.db2.gz XOPTXKAEZHIYSE-GOSISDBHSA-N 2 2 354.414 0.288 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cn4ccccc4n3)C2)OCC1=O ZINC001275476497 1211248059 /nfs/dbraw/zinc/24/80/59/1211248059.db2.gz BDGNUKWEVXDGBC-LJQANCHMSA-N 2 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cn4ccccc4n3)C2)OCC1=O ZINC001275476497 1211248061 /nfs/dbraw/zinc/24/80/61/1211248061.db2.gz BDGNUKWEVXDGBC-LJQANCHMSA-N 2 2 357.458 0.699 20 0 FCADLP Cc1cccn2c(CN3CC4(C3)COCC(=O)N4CC[NH+](C)C)c[nH+]c12 ZINC001275488930 1211249972 /nfs/dbraw/zinc/24/99/72/1211249972.db2.gz XGMIEVCGIYODSR-UHFFFAOYSA-N 2 2 357.458 0.618 20 0 FCADLP Nc1ncc(C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)s1 ZINC001275732528 1211277320 /nfs/dbraw/zinc/27/73/20/1211277320.db2.gz GXKUJCRGCDCBEW-KRWDZBQOSA-N 2 2 374.470 0.963 20 0 FCADLP Nc1ncc(C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)s1 ZINC001275732528 1211277323 /nfs/dbraw/zinc/27/73/23/1211277323.db2.gz GXKUJCRGCDCBEW-KRWDZBQOSA-N 2 2 374.470 0.963 20 0 FCADLP C[NH+]1CCC(CC[NH+]2CC3(C2)CN(Cc2ncccn2)C(=O)CO3)CC1 ZINC001275742665 1211279648 /nfs/dbraw/zinc/27/96/48/1211279648.db2.gz GHOBSAXGHYLEDS-UHFFFAOYSA-N 2 2 359.474 0.622 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](Cc3ccncc3O)C2)OCC1=O ZINC001275812377 1211289737 /nfs/dbraw/zinc/28/97/37/1211289737.db2.gz XSVZGWPVGPAQGU-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](Cc3ccncc3O)C2)OCC1=O ZINC001275812377 1211289738 /nfs/dbraw/zinc/28/97/38/1211289738.db2.gz XSVZGWPVGPAQGU-GOSISDBHSA-N 2 2 357.414 0.524 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3OCC[NH+](C4CCCC4)[C@H]3C2)C1 ZINC001275816896 1211289936 /nfs/dbraw/zinc/28/99/36/1211289936.db2.gz BBCDLMUEPHUDAC-XIRDDKMYSA-N 2 2 365.474 0.336 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3OCC[NH+](C4CCCC4)[C@H]3C2)C1 ZINC001275816896 1211289940 /nfs/dbraw/zinc/28/99/40/1211289940.db2.gz BBCDLMUEPHUDAC-XIRDDKMYSA-N 2 2 365.474 0.336 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)C1 ZINC001275816896 1211289944 /nfs/dbraw/zinc/28/99/44/1211289944.db2.gz BBCDLMUEPHUDAC-XIRDDKMYSA-N 2 2 365.474 0.336 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)C1 ZINC001275816896 1211289947 /nfs/dbraw/zinc/28/99/47/1211289947.db2.gz BBCDLMUEPHUDAC-XIRDDKMYSA-N 2 2 365.474 0.336 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2Cc2cnc3c(c2)OCCO3)C1=O ZINC001275967311 1211318888 /nfs/dbraw/zinc/31/88/88/1211318888.db2.gz RSJJPFNOWFCORR-LJQANCHMSA-N 2 2 360.458 0.981 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2cnc3c(c2)OCCO3)C1=O ZINC001275967311 1211318892 /nfs/dbraw/zinc/31/88/92/1211318892.db2.gz RSJJPFNOWFCORR-LJQANCHMSA-N 2 2 360.458 0.981 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](Cc3cccnn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276036731 1211328525 /nfs/dbraw/zinc/32/85/25/1211328525.db2.gz ANBDEEDEMMKSRL-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](Cc3cccnn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276036731 1211328527 /nfs/dbraw/zinc/32/85/27/1211328527.db2.gz ANBDEEDEMMKSRL-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP Nc1ncc(C[NH+]2CCC3(C[C@H]3C(=O)NCCn3cc[nH+]c3)CC2)cn1 ZINC001276089315 1211350813 /nfs/dbraw/zinc/35/08/13/1211350813.db2.gz MGOKHZQIFCYRNR-HNNXBMFYSA-N 2 2 355.446 0.674 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000545175819 1211413786 /nfs/dbraw/zinc/41/37/86/1211413786.db2.gz XMSHUJRKUWSRAU-PKOBYXMFSA-N 2 2 362.474 0.253 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000545175819 1211413789 /nfs/dbraw/zinc/41/37/89/1211413789.db2.gz XMSHUJRKUWSRAU-PKOBYXMFSA-N 2 2 362.474 0.253 20 0 FCADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000545175819 1211413791 /nfs/dbraw/zinc/41/37/91/1211413791.db2.gz XMSHUJRKUWSRAU-PKOBYXMFSA-N 2 2 362.474 0.253 20 0 FCADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000545175819 1211413796 /nfs/dbraw/zinc/41/37/96/1211413796.db2.gz XMSHUJRKUWSRAU-PKOBYXMFSA-N 2 2 362.474 0.253 20 0 FCADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)ncn1 ZINC001095611267 1211426302 /nfs/dbraw/zinc/42/63/02/1211426302.db2.gz MSGBZJQKKSLWOI-FWEDZOCSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C3)ncn1 ZINC001095611267 1211426303 /nfs/dbraw/zinc/42/63/03/1211426303.db2.gz MSGBZJQKKSLWOI-FWEDZOCSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C3)ncn1 ZINC001095611267 1211426306 /nfs/dbraw/zinc/42/63/06/1211426306.db2.gz MSGBZJQKKSLWOI-FWEDZOCSSA-N 2 2 359.474 0.726 20 0 FCADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C3)ncn1 ZINC001095611267 1211426309 /nfs/dbraw/zinc/42/63/09/1211426309.db2.gz MSGBZJQKKSLWOI-FWEDZOCSSA-N 2 2 359.474 0.726 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001095625002 1211429401 /nfs/dbraw/zinc/42/94/01/1211429401.db2.gz WBAHUKHWVDZFTP-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001095625002 1211429403 /nfs/dbraw/zinc/42/94/03/1211429403.db2.gz WBAHUKHWVDZFTP-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001095625002 1211429405 /nfs/dbraw/zinc/42/94/05/1211429405.db2.gz WBAHUKHWVDZFTP-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001095625002 1211429407 /nfs/dbraw/zinc/42/94/07/1211429407.db2.gz WBAHUKHWVDZFTP-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP CN1CC[N@H+](CCCN2C(=O)N[C@@H](C[NH+](C)C)C2=O)[C@@H](c2ccccc2)C1 ZINC000924472328 1211470912 /nfs/dbraw/zinc/47/09/12/1211470912.db2.gz DIEHLAUMRZBJHO-ZWKOTPCHSA-N 2 2 373.501 0.847 20 0 FCADLP CN1CC[N@@H+](CCCN2C(=O)N[C@@H](C[NH+](C)C)C2=O)[C@@H](c2ccccc2)C1 ZINC000924472328 1211470913 /nfs/dbraw/zinc/47/09/13/1211470913.db2.gz DIEHLAUMRZBJHO-ZWKOTPCHSA-N 2 2 373.501 0.847 20 0 FCADLP [NH3+]CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000925568432 1211502547 /nfs/dbraw/zinc/50/25/47/1211502547.db2.gz ARKXKKQCQAGYKA-RTBURBONSA-N 3 2 360.502 0.989 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000925612978 1211504656 /nfs/dbraw/zinc/50/46/56/1211504656.db2.gz PDESXJGABWENNS-MSOLQXFVSA-N 2 2 368.522 0.994 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000925612979 1211504925 /nfs/dbraw/zinc/50/49/25/1211504925.db2.gz PDESXJGABWENNS-QZTJIDSGSA-N 2 2 368.522 0.994 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000926389275 1211543724 /nfs/dbraw/zinc/54/37/24/1211543724.db2.gz PBVSXBZQORDUCI-ZWKOTPCHSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000926389275 1211543735 /nfs/dbraw/zinc/54/37/35/1211543735.db2.gz PBVSXBZQORDUCI-ZWKOTPCHSA-N 2 2 358.486 0.569 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001221389882 1225305399 /nfs/dbraw/zinc/30/53/99/1225305399.db2.gz NHOXGEDSIXYVMS-MRXNPFEDSA-N 3 2 372.473 0.613 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(OC)c1 ZINC000931282436 1211749642 /nfs/dbraw/zinc/74/96/42/1211749642.db2.gz AVWABBZVSTVSHC-BSXFFOKHSA-N 2 2 364.442 0.713 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(OC)c1 ZINC000931282436 1211749645 /nfs/dbraw/zinc/74/96/45/1211749645.db2.gz AVWABBZVSTVSHC-BSXFFOKHSA-N 2 2 364.442 0.713 20 0 FCADLP Cc1occc(=O)c1OCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932576227 1211813399 /nfs/dbraw/zinc/81/33/99/1211813399.db2.gz LRTXRADGTCQLSA-INIZCTEOSA-N 2 2 363.458 0.954 20 0 FCADLP Cc1occc(=O)c1OCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932576227 1211813400 /nfs/dbraw/zinc/81/34/00/1211813400.db2.gz LRTXRADGTCQLSA-INIZCTEOSA-N 2 2 363.458 0.954 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001111035574 1211813451 /nfs/dbraw/zinc/81/34/51/1211813451.db2.gz HXAAZVBJBJORAX-KBXIAJHMSA-N 2 2 365.478 0.036 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001111035574 1211813452 /nfs/dbraw/zinc/81/34/52/1211813452.db2.gz HXAAZVBJBJORAX-KBXIAJHMSA-N 2 2 365.478 0.036 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001111169214 1211909905 /nfs/dbraw/zinc/90/99/05/1211909905.db2.gz HPBMPCJMZFZTMV-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001111169214 1211909908 /nfs/dbraw/zinc/90/99/08/1211909908.db2.gz HPBMPCJMZFZTMV-ZACQAIPSSA-N 2 2 366.506 0.345 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC001111222245 1211932199 /nfs/dbraw/zinc/93/21/99/1211932199.db2.gz XQYHRIZDIPTCPE-NUJGCVRESA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC001111222245 1211932206 /nfs/dbraw/zinc/93/22/06/1211932206.db2.gz XQYHRIZDIPTCPE-NUJGCVRESA-N 2 2 371.441 0.611 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@@H+]1C ZINC000968738186 1212106646 /nfs/dbraw/zinc/10/66/46/1212106646.db2.gz QREZUXLWNGTXBO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(CCOC)no3)C2)CC[N@H+]1C ZINC000968738186 1212106653 /nfs/dbraw/zinc/10/66/53/1212106653.db2.gz QREZUXLWNGTXBO-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccn(C)n3)CC2)O1 ZINC000948542785 1212198213 /nfs/dbraw/zinc/19/82/13/1212198213.db2.gz VFRWXACMPQSRHV-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccn(C)n3)CC2)O1 ZINC000948542785 1212198216 /nfs/dbraw/zinc/19/82/16/1212198216.db2.gz VFRWXACMPQSRHV-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccn(C)n3)CC2)O1 ZINC000948542785 1212198220 /nfs/dbraw/zinc/19/82/20/1212198220.db2.gz VFRWXACMPQSRHV-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccn(C)n3)CC2)O1 ZINC000948542785 1212198227 /nfs/dbraw/zinc/19/82/27/1212198227.db2.gz VFRWXACMPQSRHV-BPQIPLTHSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC000969072097 1212254749 /nfs/dbraw/zinc/25/47/49/1212254749.db2.gz WYDDARQRZVKJIC-IIDMSEBBSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)O1 ZINC000969072097 1212254755 /nfs/dbraw/zinc/25/47/55/1212254755.db2.gz WYDDARQRZVKJIC-IIDMSEBBSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H](O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC000949193886 1212319009 /nfs/dbraw/zinc/31/90/09/1212319009.db2.gz COVPJZKHCQPBGU-BZUAXINKSA-N 2 2 362.474 0.598 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000949208198 1212324502 /nfs/dbraw/zinc/32/45/02/1212324502.db2.gz HWIRABADRURHPC-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221563567 1225370067 /nfs/dbraw/zinc/37/00/67/1225370067.db2.gz XFCZZNHPGCRJHZ-NVXWUHKLSA-N 2 2 362.474 0.304 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221563567 1225370074 /nfs/dbraw/zinc/37/00/74/1225370074.db2.gz XFCZZNHPGCRJHZ-NVXWUHKLSA-N 2 2 362.474 0.304 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221585224 1225381757 /nfs/dbraw/zinc/38/17/57/1225381757.db2.gz ZBPICCCLANFXPK-DJIMGWMZSA-N 2 2 368.497 0.820 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001221585224 1225381760 /nfs/dbraw/zinc/38/17/60/1225381760.db2.gz ZBPICCCLANFXPK-DJIMGWMZSA-N 2 2 368.497 0.820 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001008158818 1212646295 /nfs/dbraw/zinc/64/62/95/1212646295.db2.gz BKHLUQXSLLMOJJ-KSSFIOAISA-N 2 2 359.474 0.934 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001008167805 1212648965 /nfs/dbraw/zinc/64/89/65/1212648965.db2.gz PVHYBNGDXYQIIJ-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001008167805 1212648968 /nfs/dbraw/zinc/64/89/68/1212648968.db2.gz PVHYBNGDXYQIIJ-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000950803215 1212680027 /nfs/dbraw/zinc/68/00/27/1212680027.db2.gz RMTHDTOAPWBVPF-KYJSFNMBSA-N 2 2 359.474 0.721 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950825234 1212686790 /nfs/dbraw/zinc/68/67/90/1212686790.db2.gz QQAKUZHSNVADQF-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001008495958 1212709277 /nfs/dbraw/zinc/70/92/77/1212709277.db2.gz HATCSLICXVRBSR-DOXZYTNZSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001008495958 1212709283 /nfs/dbraw/zinc/70/92/83/1212709283.db2.gz HATCSLICXVRBSR-DOXZYTNZSA-N 2 2 359.474 0.791 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001111337891 1212712119 /nfs/dbraw/zinc/71/21/19/1212712119.db2.gz CDJIAZWWFDCVQM-SPUZQDLCSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001111337891 1212712124 /nfs/dbraw/zinc/71/21/24/1212712124.db2.gz CDJIAZWWFDCVQM-SPUZQDLCSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000951194437 1212784883 /nfs/dbraw/zinc/78/48/83/1212784883.db2.gz KZBNAYLQMFRTMR-ARFHVFGLSA-N 2 2 371.485 0.869 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)O1 ZINC000951459674 1212829983 /nfs/dbraw/zinc/82/99/83/1212829983.db2.gz XNLQVVFNZHBQCQ-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)O1 ZINC000951459674 1212829985 /nfs/dbraw/zinc/82/99/85/1212829985.db2.gz XNLQVVFNZHBQCQ-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407269 1212993040 /nfs/dbraw/zinc/99/30/40/1212993040.db2.gz PQYPQGCMUFBZLY-IDCNUPLLSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407269 1212993041 /nfs/dbraw/zinc/99/30/41/1212993041.db2.gz PQYPQGCMUFBZLY-IDCNUPLLSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407269 1212993048 /nfs/dbraw/zinc/99/30/48/1212993048.db2.gz PQYPQGCMUFBZLY-IDCNUPLLSA-N 2 2 374.485 0.911 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407269 1212993052 /nfs/dbraw/zinc/99/30/52/1212993052.db2.gz PQYPQGCMUFBZLY-IDCNUPLLSA-N 2 2 374.485 0.911 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652084 1225418362 /nfs/dbraw/zinc/41/83/62/1225418362.db2.gz ACUPTIIENGRIPE-LZLYRXPVSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652084 1225418366 /nfs/dbraw/zinc/41/83/66/1225418366.db2.gz ACUPTIIENGRIPE-LZLYRXPVSA-N 2 2 362.474 0.641 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221657156 1225421652 /nfs/dbraw/zinc/42/16/52/1225421652.db2.gz MGONSWLWNLELNK-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221657156 1225421657 /nfs/dbraw/zinc/42/16/57/1225421657.db2.gz MGONSWLWNLELNK-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221657156 1225421660 /nfs/dbraw/zinc/42/16/60/1225421660.db2.gz MGONSWLWNLELNK-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221657156 1225421663 /nfs/dbraw/zinc/42/16/63/1225421663.db2.gz MGONSWLWNLELNK-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000954665698 1213099707 /nfs/dbraw/zinc/09/97/07/1213099707.db2.gz XTPUGTDFCBJEHV-HZPDHXFCSA-N 2 2 359.474 0.535 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC000954702315 1213102679 /nfs/dbraw/zinc/10/26/79/1213102679.db2.gz MBTKNIRUVWECBQ-SJKOYZFVSA-N 2 2 371.441 0.565 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC000954702315 1213102682 /nfs/dbraw/zinc/10/26/82/1213102682.db2.gz MBTKNIRUVWECBQ-SJKOYZFVSA-N 2 2 371.441 0.565 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC000955364168 1213149761 /nfs/dbraw/zinc/14/97/61/1213149761.db2.gz XSLVJZQQTRECPB-INMHGKMJSA-N 2 2 361.490 0.779 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000956144871 1213176160 /nfs/dbraw/zinc/17/61/60/1213176160.db2.gz BTFJLCFJXPWHHJ-OWCLPIDISA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC000956144871 1213176162 /nfs/dbraw/zinc/17/61/62/1213176162.db2.gz BTFJLCFJXPWHHJ-OWCLPIDISA-N 2 2 361.490 0.800 20 0 FCADLP CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000641788196 1213216308 /nfs/dbraw/zinc/21/63/08/1213216308.db2.gz MBPNSIJCCHOVHB-KRWDZBQOSA-N 2 2 363.506 0.603 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000957086120 1213248131 /nfs/dbraw/zinc/24/81/31/1213248131.db2.gz RQJARGRNZKEOQG-BZUAXINKSA-N 2 2 371.485 0.504 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000957160401 1213268073 /nfs/dbraw/zinc/26/80/73/1213268073.db2.gz QYUUEIFBNZCDDL-SPYBWZPUSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000957160401 1213268078 /nfs/dbraw/zinc/26/80/78/1213268078.db2.gz QYUUEIFBNZCDDL-SPYBWZPUSA-N 2 2 359.474 0.962 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000957163675 1213271011 /nfs/dbraw/zinc/27/10/11/1213271011.db2.gz ZTVZLUDWHZBTAM-SIIHOXLZSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000957163675 1213271020 /nfs/dbraw/zinc/27/10/20/1213271020.db2.gz ZTVZLUDWHZBTAM-SIIHOXLZSA-N 2 2 363.462 0.018 20 0 FCADLP 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GRPBYSIYMJIGIS-CKEIUWERSA-N 2 2 358.490 0.357 20 0 FCADLP CCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916223 1225746826 /nfs/dbraw/zinc/74/68/26/1225746826.db2.gz BAXNOXOUHJJJRS-CABCVRRESA-N 2 2 365.478 0.633 20 0 FCADLP CCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)n1 ZINC001223916223 1225746829 /nfs/dbraw/zinc/74/68/29/1225746829.db2.gz BAXNOXOUHJJJRS-CABCVRRESA-N 2 2 365.478 0.633 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001043204429 1217589324 /nfs/dbraw/zinc/58/93/24/1217589324.db2.gz BEGQXVBKUCVWJC-JKIFEVAISA-N 2 2 358.490 0.675 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001043204429 1217589330 /nfs/dbraw/zinc/58/93/30/1217589330.db2.gz BEGQXVBKUCVWJC-JKIFEVAISA-N 2 2 358.490 0.675 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043204429 1217589336 /nfs/dbraw/zinc/58/93/36/1217589336.db2.gz BEGQXVBKUCVWJC-JKIFEVAISA-N 2 2 358.490 0.675 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043204429 1217589340 /nfs/dbraw/zinc/58/93/40/1217589340.db2.gz BEGQXVBKUCVWJC-JKIFEVAISA-N 2 2 358.490 0.675 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043726741 1217719264 /nfs/dbraw/zinc/71/92/64/1217719264.db2.gz GOQROCWYQSPZCE-HYVNUMGLSA-N 2 2 359.474 0.715 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)nc(C)[nH+]1 ZINC001043726741 1217719269 /nfs/dbraw/zinc/71/92/69/1217719269.db2.gz GOQROCWYQSPZCE-HYVNUMGLSA-N 2 2 359.474 0.715 20 0 FCADLP Cc1nc(N2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043735965 1217724135 /nfs/dbraw/zinc/72/41/35/1217724135.db2.gz DJFUJKZSGAUSIK-DLBZAZTESA-N 2 2 371.485 0.914 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]32)n1 ZINC001224246097 1225768302 /nfs/dbraw/zinc/76/83/02/1225768302.db2.gz UZHCOUZBIXIVOL-CABCVRRESA-N 2 2 365.478 0.979 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]32)n1 ZINC001224246097 1225768305 /nfs/dbraw/zinc/76/83/05/1225768305.db2.gz UZHCOUZBIXIVOL-CABCVRRESA-N 2 2 365.478 0.979 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]32)n1 ZINC001224246097 1225768306 /nfs/dbraw/zinc/76/83/06/1225768306.db2.gz UZHCOUZBIXIVOL-CABCVRRESA-N 2 2 365.478 0.979 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]32)n1 ZINC001224246097 1225768310 /nfs/dbraw/zinc/76/83/10/1225768310.db2.gz UZHCOUZBIXIVOL-CABCVRRESA-N 2 2 365.478 0.979 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044058786 1217799214 /nfs/dbraw/zinc/79/92/14/1217799214.db2.gz FXZAJRNKHLNWPZ-WBVHZDCISA-N 2 2 370.457 0.842 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044063247 1217800464 /nfs/dbraw/zinc/80/04/64/1217800464.db2.gz ZLBWXIZFZZNZFH-XHSDSOJGSA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044063247 1217800466 /nfs/dbraw/zinc/80/04/66/1217800466.db2.gz ZLBWXIZFZZNZFH-XHSDSOJGSA-N 2 2 361.490 0.916 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224298078 1225770985 /nfs/dbraw/zinc/77/09/85/1225770985.db2.gz MFHSYRFOUYHVLE-SJORKVTESA-N 2 2 359.474 0.674 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224298078 1225770990 /nfs/dbraw/zinc/77/09/90/1225770990.db2.gz MFHSYRFOUYHVLE-SJORKVTESA-N 2 2 359.474 0.674 20 0 FCADLP CCn1nncc1C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045476792 1217932766 /nfs/dbraw/zinc/93/27/66/1217932766.db2.gz DFJIJPCSZPTMJP-GDBMZVCRSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045476792 1217932769 /nfs/dbraw/zinc/93/27/69/1217932769.db2.gz DFJIJPCSZPTMJP-GDBMZVCRSA-N 2 2 364.494 0.488 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001096030918 1217934190 /nfs/dbraw/zinc/93/41/90/1217934190.db2.gz VMUHJFKAUCPPJP-SUJAAXHWSA-N 2 2 355.446 0.537 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001096030918 1217934198 /nfs/dbraw/zinc/93/41/98/1217934198.db2.gz VMUHJFKAUCPPJP-SUJAAXHWSA-N 2 2 355.446 0.537 20 0 FCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056930 1217958397 /nfs/dbraw/zinc/95/83/97/1217958397.db2.gz AOORJTQYNYWLDO-XLIONFOSSA-N 2 2 374.485 0.661 20 0 FCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056930 1217958399 /nfs/dbraw/zinc/95/83/99/1217958399.db2.gz AOORJTQYNYWLDO-XLIONFOSSA-N 2 2 374.485 0.661 20 0 FCADLP COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062789 1217993174 /nfs/dbraw/zinc/99/31/74/1217993174.db2.gz JQAGPSDQSAJUST-BRWVUGGUSA-N 2 2 361.490 0.389 20 0 FCADLP COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062789 1217993175 /nfs/dbraw/zinc/99/31/75/1217993175.db2.gz JQAGPSDQSAJUST-BRWVUGGUSA-N 2 2 361.490 0.389 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900688419 1218024927 /nfs/dbraw/zinc/02/49/27/1218024927.db2.gz ICIQNQPVIGIFBO-UHFFFAOYSA-N 2 2 367.582 0.936 20 0 FCADLP COc1ncccc1C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420171 1218034519 /nfs/dbraw/zinc/03/45/19/1218034519.db2.gz CRPXLJKURVMZSY-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420171 1218034523 /nfs/dbraw/zinc/03/45/23/1218034523.db2.gz CRPXLJKURVMZSY-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046420171 1218034529 /nfs/dbraw/zinc/03/45/29/1218034529.db2.gz CRPXLJKURVMZSY-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046420171 1218034535 /nfs/dbraw/zinc/03/45/35/1218034535.db2.gz CRPXLJKURVMZSY-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800082 1218038658 /nfs/dbraw/zinc/03/86/58/1218038658.db2.gz BBRPYOCJVNGTAH-WBVHZDCISA-N 2 2 360.506 0.198 20 0 FCADLP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800082 1218038663 /nfs/dbraw/zinc/03/86/63/1218038663.db2.gz BBRPYOCJVNGTAH-WBVHZDCISA-N 2 2 360.506 0.198 20 0 FCADLP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1C[N@H+](C)CCN1C ZINC000900800799 1218038897 /nfs/dbraw/zinc/03/88/97/1218038897.db2.gz AYNHFXOQWKFNKO-WFASDCNBSA-N 2 2 359.478 0.398 20 0 FCADLP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800799 1218038898 /nfs/dbraw/zinc/03/88/98/1218038898.db2.gz AYNHFXOQWKFNKO-WFASDCNBSA-N 2 2 359.478 0.398 20 0 FCADLP 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CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3cc(C)ncn3)CC2)CC[N@H+]1C ZINC001096307878 1218233952 /nfs/dbraw/zinc/23/39/52/1218233952.db2.gz OQKYMBJZMWBIDC-DLBZAZTESA-N 2 2 360.506 0.754 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001096350111 1218258716 /nfs/dbraw/zinc/25/87/16/1218258716.db2.gz VCGOACZYMFYAKF-PVAVHDDUSA-N 2 2 359.474 0.697 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001096350111 1218258723 /nfs/dbraw/zinc/25/87/23/1218258723.db2.gz VCGOACZYMFYAKF-PVAVHDDUSA-N 2 2 359.474 0.697 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001048873770 1218332746 /nfs/dbraw/zinc/33/27/46/1218332746.db2.gz WSBOPIFOQFCFCG-QKPAOTATSA-N 2 2 357.458 0.526 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001048873770 1218332751 /nfs/dbraw/zinc/33/27/51/1218332751.db2.gz WSBOPIFOQFCFCG-QKPAOTATSA-N 2 2 357.458 0.526 20 0 FCADLP 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FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CC(=O)NC2CC2)O1 ZINC001049547472 1218485298 /nfs/dbraw/zinc/48/52/98/1218485298.db2.gz FHRVKWRLCODZFL-XLNGHYISSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC2CC2)O1 ZINC001049547472 1218485305 /nfs/dbraw/zinc/48/53/05/1218485305.db2.gz FHRVKWRLCODZFL-XLNGHYISSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC2CC2)O1 ZINC001049547472 1218485308 /nfs/dbraw/zinc/48/53/08/1218485308.db2.gz FHRVKWRLCODZFL-XLNGHYISSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2cncn2C)O1 ZINC001049547724 1218485515 /nfs/dbraw/zinc/48/55/15/1218485515.db2.gz FOEJGFYEYKCQOY-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2cncn2C)O1 ZINC001049547724 1218485525 /nfs/dbraw/zinc/48/55/25/1218485525.db2.gz FOEJGFYEYKCQOY-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cncn2C)O1 ZINC001049547724 1218485528 /nfs/dbraw/zinc/48/55/28/1218485528.db2.gz FOEJGFYEYKCQOY-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cncn2C)O1 ZINC001049547724 1218485537 /nfs/dbraw/zinc/48/55/37/1218485537.db2.gz FOEJGFYEYKCQOY-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCC1 ZINC001049735802 1218540576 /nfs/dbraw/zinc/54/05/76/1218540576.db2.gz JVEZMZZGFFZHJV-QBPKDAKJSA-N 2 2 371.485 0.821 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CCC1 ZINC001049735802 1218540582 /nfs/dbraw/zinc/54/05/82/1218540582.db2.gz JVEZMZZGFFZHJV-QBPKDAKJSA-N 2 2 371.485 0.821 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444771 1218806382 /nfs/dbraw/zinc/80/63/82/1218806382.db2.gz GYDNKAZNYJULIH-OJLVUWQFSA-N 2 2 367.409 0.475 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444771 1218806383 /nfs/dbraw/zinc/80/63/83/1218806383.db2.gz GYDNKAZNYJULIH-OJLVUWQFSA-N 2 2 367.409 0.475 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508146 1218813505 /nfs/dbraw/zinc/81/35/05/1218813505.db2.gz WRXHGABUHORYEN-BMFZPTHFSA-N 2 2 354.414 0.348 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508146 1218813508 /nfs/dbraw/zinc/81/35/08/1218813508.db2.gz WRXHGABUHORYEN-BMFZPTHFSA-N 2 2 354.414 0.348 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001097824547 1218850187 /nfs/dbraw/zinc/85/01/87/1218850187.db2.gz YAJDYSVOAFPYFS-CLWVCHIJSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001097824547 1218850190 /nfs/dbraw/zinc/85/01/90/1218850190.db2.gz YAJDYSVOAFPYFS-CLWVCHIJSA-N 2 2 355.446 0.843 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)ncn1 ZINC001052736528 1218862033 /nfs/dbraw/zinc/86/20/33/1218862033.db2.gz JJOWNESICWGSIE-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)ncn1 ZINC001052736528 1218862034 /nfs/dbraw/zinc/86/20/34/1218862034.db2.gz JJOWNESICWGSIE-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001052736963 1218862429 /nfs/dbraw/zinc/86/24/29/1218862429.db2.gz VZGZUBASASYDNH-HUUCEWRRSA-N 2 2 366.429 0.822 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1Nc1ncccn1 ZINC001052741057 1218862555 /nfs/dbraw/zinc/86/25/55/1218862555.db2.gz BZMJSIMKNGFXOJ-BFYDXBDKSA-N 2 2 369.473 0.957 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001226679216 1225851342 /nfs/dbraw/zinc/85/13/42/1225851342.db2.gz GMJSOPMHOQJRBC-HZPDHXFCSA-N 2 2 363.462 0.218 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001226679216 1225851346 /nfs/dbraw/zinc/85/13/46/1225851346.db2.gz GMJSOPMHOQJRBC-HZPDHXFCSA-N 2 2 363.462 0.218 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@@H+]2Cc1c[nH]c(=O)[nH]c1=O ZINC001277146426 1225851852 /nfs/dbraw/zinc/85/18/52/1225851852.db2.gz IWRURELMGWWORS-KRWDZBQOSA-N 2 2 358.402 0.351 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CCC[N@H+]2Cc1c[nH]c(=O)[nH]c1=O ZINC001277146426 1225851855 /nfs/dbraw/zinc/85/18/55/1225851855.db2.gz IWRURELMGWWORS-KRWDZBQOSA-N 2 2 358.402 0.351 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1 ZINC001226781824 1225854076 /nfs/dbraw/zinc/85/40/76/1225854076.db2.gz BSVLGVBVQGLDEE-OAGGEKHMSA-N 2 2 361.450 0.414 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001055595940 1219094378 /nfs/dbraw/zinc/09/43/78/1219094378.db2.gz LEIGRSCOPXSNAQ-DLBZAZTESA-N 2 2 359.474 0.626 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052998 1219105549 /nfs/dbraw/zinc/10/55/49/1219105549.db2.gz GTRDUQKUSLBHGH-JKSUJKDBSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052998 1219105554 /nfs/dbraw/zinc/10/55/54/1219105554.db2.gz GTRDUQKUSLBHGH-JKSUJKDBSA-N 2 2 361.446 0.026 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804054311 1219109179 /nfs/dbraw/zinc/10/91/79/1219109179.db2.gz REDDYQDUPHBKEW-XYJFISCASA-N 2 2 372.469 0.269 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804054311 1219109184 /nfs/dbraw/zinc/10/91/84/1219109184.db2.gz REDDYQDUPHBKEW-XYJFISCASA-N 2 2 372.469 0.269 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804054311 1219109191 /nfs/dbraw/zinc/10/91/91/1219109191.db2.gz REDDYQDUPHBKEW-XYJFISCASA-N 2 2 372.469 0.269 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070075826 1219144664 /nfs/dbraw/zinc/14/46/64/1219144664.db2.gz DKTJEZFMZPQHHG-SJORKVTESA-N 2 2 367.457 0.311 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070075826 1219144665 /nfs/dbraw/zinc/14/46/65/1219144665.db2.gz DKTJEZFMZPQHHG-SJORKVTESA-N 2 2 367.457 0.311 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100240 1219174201 /nfs/dbraw/zinc/17/42/01/1219174201.db2.gz LJJJMOWIKKVBDZ-IXDOHACOSA-N 2 2 362.478 0.307 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100240 1219174207 /nfs/dbraw/zinc/17/42/07/1219174207.db2.gz LJJJMOWIKKVBDZ-IXDOHACOSA-N 2 2 362.478 0.307 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100240 1219174219 /nfs/dbraw/zinc/17/42/19/1219174219.db2.gz LJJJMOWIKKVBDZ-IXDOHACOSA-N 2 2 362.478 0.307 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2n2ccnn2)C1 ZINC001070100240 1219174224 /nfs/dbraw/zinc/17/42/24/1219174224.db2.gz LJJJMOWIKKVBDZ-IXDOHACOSA-N 2 2 362.478 0.307 20 0 FCADLP CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](n3ccnn3)C2)C1 ZINC001070109221 1219184138 /nfs/dbraw/zinc/18/41/38/1219184138.db2.gz MAEOWRUYQSAYKL-CVEARBPZSA-N 2 2 357.462 0.953 20 0 FCADLP CC1(C)CC(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](n3ccnn3)C2)C1 ZINC001070109221 1219184141 /nfs/dbraw/zinc/18/41/41/1219184141.db2.gz MAEOWRUYQSAYKL-CVEARBPZSA-N 2 2 357.462 0.953 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158620 1219246546 /nfs/dbraw/zinc/24/65/46/1219246546.db2.gz SFSBZOFJUNDLSX-ILXRZTDVSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158620 1219246550 /nfs/dbraw/zinc/24/65/50/1219246550.db2.gz SFSBZOFJUNDLSX-ILXRZTDVSA-N 2 2 359.434 0.210 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220274 1219302425 /nfs/dbraw/zinc/30/24/25/1219302425.db2.gz FDBPWGBWUIGJKH-XHSDSOJGSA-N 2 2 355.446 0.489 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001070222042 1219303235 /nfs/dbraw/zinc/30/32/35/1219303235.db2.gz DSGQBCBVYHCLHZ-LYRGGWFBSA-N 2 2 355.402 0.191 20 0 FCADLP COc1cnc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001277239138 1225884794 /nfs/dbraw/zinc/88/47/94/1225884794.db2.gz KXIHWDXJDGQBPT-SFHVURJKSA-N 2 2 363.462 0.098 20 0 FCADLP COc1cnc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001277239138 1225884796 /nfs/dbraw/zinc/88/47/96/1225884796.db2.gz KXIHWDXJDGQBPT-SFHVURJKSA-N 2 2 363.462 0.098 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070302653 1219361156 /nfs/dbraw/zinc/36/11/56/1219361156.db2.gz CWFIMLNPOLJJGH-SJORKVTESA-N 2 2 365.441 0.828 20 0 FCADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070328312 1219379318 /nfs/dbraw/zinc/37/93/18/1219379318.db2.gz WKWYZFLQMKOKCO-CABCVRRESA-N 2 2 370.417 0.321 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070337933 1219386142 /nfs/dbraw/zinc/38/61/42/1219386142.db2.gz NADWXOKMFZHSPA-OAGGEKHMSA-N 2 2 359.434 0.085 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070475029 1219425325 /nfs/dbraw/zinc/42/53/25/1219425325.db2.gz ADXRLMZPUMHODG-USXIJHARSA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070475029 1219425330 /nfs/dbraw/zinc/42/53/30/1219425330.db2.gz ADXRLMZPUMHODG-USXIJHARSA-N 2 2 369.473 0.389 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953808 1225891510 /nfs/dbraw/zinc/89/15/10/1225891510.db2.gz LEKOGBAGDQIIFJ-BFYDXBDKSA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953808 1225891512 /nfs/dbraw/zinc/89/15/12/1225891512.db2.gz LEKOGBAGDQIIFJ-BFYDXBDKSA-N 2 2 368.522 0.541 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001227954342 1225891843 /nfs/dbraw/zinc/89/18/43/1225891843.db2.gz TXXCDXUUPCNZMW-CKEIUWERSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)C1CC1 ZINC001227954342 1225891845 /nfs/dbraw/zinc/89/18/45/1225891845.db2.gz TXXCDXUUPCNZMW-CKEIUWERSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953197 1225891925 /nfs/dbraw/zinc/89/19/25/1225891925.db2.gz DDIKOKMSVNKEHF-HLLBOEOZSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953197 1225891929 /nfs/dbraw/zinc/89/19/29/1225891929.db2.gz DDIKOKMSVNKEHF-HLLBOEOZSA-N 2 2 368.522 0.447 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001228157933 1225897555 /nfs/dbraw/zinc/89/75/55/1225897555.db2.gz JOTLMEDQOGZARF-ZACQAIPSSA-N 2 2 366.506 0.393 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001228157933 1225897556 /nfs/dbraw/zinc/89/75/56/1225897556.db2.gz JOTLMEDQOGZARF-ZACQAIPSSA-N 2 2 366.506 0.393 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]C[C@@H]2CCOC2)c1 ZINC001070541305 1219459948 /nfs/dbraw/zinc/45/99/48/1219459948.db2.gz VCULCAGFNNUUMH-JLJPHGGASA-N 2 2 358.446 0.306 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070563921 1219470580 /nfs/dbraw/zinc/47/05/80/1219470580.db2.gz LSNJIBCGVFLVJE-YQQAZPJKSA-N 2 2 369.473 0.246 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070563921 1219470585 /nfs/dbraw/zinc/47/05/85/1219470585.db2.gz LSNJIBCGVFLVJE-YQQAZPJKSA-N 2 2 369.473 0.246 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070629859 1219494539 /nfs/dbraw/zinc/49/45/39/1219494539.db2.gz UQPHSUDSZXIMOZ-OAGGEKHMSA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070629859 1219494541 /nfs/dbraw/zinc/49/45/41/1219494541.db2.gz UQPHSUDSZXIMOZ-OAGGEKHMSA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070629858 1219494678 /nfs/dbraw/zinc/49/46/78/1219494678.db2.gz UQPHSUDSZXIMOZ-BZUAXINKSA-N 2 2 369.473 0.389 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ncccn1 ZINC001070629858 1219494681 /nfs/dbraw/zinc/49/46/81/1219494681.db2.gz UQPHSUDSZXIMOZ-BZUAXINKSA-N 2 2 369.473 0.389 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC001070659333 1219512428 /nfs/dbraw/zinc/51/24/28/1219512428.db2.gz HQKKVWDIRIEZHY-HUUCEWRRSA-N 2 2 360.462 0.237 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001070805567 1219547169 /nfs/dbraw/zinc/54/71/69/1219547169.db2.gz DUMMFRCWDRNBFR-BZUAXINKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001070805567 1219547175 /nfs/dbraw/zinc/54/71/75/1219547175.db2.gz DUMMFRCWDRNBFR-BZUAXINKSA-N 2 2 361.490 0.800 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001070865025 1219549744 /nfs/dbraw/zinc/54/97/44/1219549744.db2.gz CUOBETUPWJLRFD-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001070865025 1219549745 /nfs/dbraw/zinc/54/97/45/1219549745.db2.gz CUOBETUPWJLRFD-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911488 1219563101 /nfs/dbraw/zinc/56/31/01/1219563101.db2.gz BAZMCOBEWJJARM-ZNMIVQPWSA-N 2 2 361.446 0.857 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911488 1219563104 /nfs/dbraw/zinc/56/31/04/1219563104.db2.gz BAZMCOBEWJJARM-ZNMIVQPWSA-N 2 2 361.446 0.857 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)c2nnnn2C)C3)CC[N@@H+]1C ZINC001072754927 1219621463 /nfs/dbraw/zinc/62/14/63/1219621463.db2.gz KUDHJWIGNNYRDM-SOUVJXGZSA-N 2 2 361.494 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H](C)c2nnnn2C)C3)CC[N@H+]1C ZINC001072754927 1219621464 /nfs/dbraw/zinc/62/14/64/1219621464.db2.gz KUDHJWIGNNYRDM-SOUVJXGZSA-N 2 2 361.494 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)c2nnnn2C)C3)CC[NH+]1C ZINC001072754927 1219621465 /nfs/dbraw/zinc/62/14/65/1219621465.db2.gz KUDHJWIGNNYRDM-SOUVJXGZSA-N 2 2 361.494 0.536 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)c2nnnn2C)C3)CC[NH+]1C ZINC001072754927 1219621466 /nfs/dbraw/zinc/62/14/66/1219621466.db2.gz KUDHJWIGNNYRDM-SOUVJXGZSA-N 2 2 361.494 0.536 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001072828540 1219623289 /nfs/dbraw/zinc/62/32/89/1219623289.db2.gz DPNXPEKMJHATMW-BZUAXINKSA-N 2 2 371.485 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001072828540 1219623290 /nfs/dbraw/zinc/62/32/90/1219623290.db2.gz DPNXPEKMJHATMW-BZUAXINKSA-N 2 2 371.485 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001072828540 1219623294 /nfs/dbraw/zinc/62/32/94/1219623294.db2.gz DPNXPEKMJHATMW-BZUAXINKSA-N 2 2 371.485 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](C[C@H]1CCNC(=O)CC1)C2 ZINC001072828540 1219623297 /nfs/dbraw/zinc/62/32/97/1219623297.db2.gz DPNXPEKMJHATMW-BZUAXINKSA-N 2 2 371.485 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001072828621 1219623924 /nfs/dbraw/zinc/62/39/24/1219623924.db2.gz JBMQIDXNVPRLJL-BZUAXINKSA-N 2 2 370.457 0.305 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001072828621 1219623927 /nfs/dbraw/zinc/62/39/27/1219623927.db2.gz JBMQIDXNVPRLJL-BZUAXINKSA-N 2 2 370.457 0.305 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001072828621 1219623928 /nfs/dbraw/zinc/62/39/28/1219623928.db2.gz JBMQIDXNVPRLJL-BZUAXINKSA-N 2 2 370.457 0.305 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001072828621 1219623931 /nfs/dbraw/zinc/62/39/31/1219623931.db2.gz JBMQIDXNVPRLJL-BZUAXINKSA-N 2 2 370.457 0.305 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)ncn1 ZINC001072850090 1219624654 /nfs/dbraw/zinc/62/46/54/1219624654.db2.gz QMMBACRELGEOGI-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)ncn1 ZINC001072850090 1219624656 /nfs/dbraw/zinc/62/46/56/1219624656.db2.gz QMMBACRELGEOGI-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)ncn1 ZINC001072850090 1219624659 /nfs/dbraw/zinc/62/46/59/1219624659.db2.gz QMMBACRELGEOGI-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)ncn1 ZINC001072850090 1219624661 /nfs/dbraw/zinc/62/46/61/1219624661.db2.gz QMMBACRELGEOGI-NVXWUHKLSA-N 2 2 359.474 0.538 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)n3)CCCO2)CC[N@@H+]1C ZINC001073605079 1219671107 /nfs/dbraw/zinc/67/11/07/1219671107.db2.gz AFGIIKVZQGLAFJ-FGTMMUONSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccn(C)n3)CCCO2)CC[N@H+]1C ZINC001073605079 1219671110 /nfs/dbraw/zinc/67/11/10/1219671110.db2.gz AFGIIKVZQGLAFJ-FGTMMUONSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)n3)CCCO2)CC[NH+]1C ZINC001073605079 1219671113 /nfs/dbraw/zinc/67/11/13/1219671113.db2.gz AFGIIKVZQGLAFJ-FGTMMUONSA-N 2 2 363.506 0.858 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(C)n3)CCCO2)CC[NH+]1C ZINC001073605079 1219671119 /nfs/dbraw/zinc/67/11/19/1219671119.db2.gz AFGIIKVZQGLAFJ-FGTMMUONSA-N 2 2 363.506 0.858 20 0 FCADLP CCn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C)nn1 ZINC001074895645 1219729402 /nfs/dbraw/zinc/72/94/02/1219729402.db2.gz DOORCIYZBPYGCA-XZDPQHSOSA-N 2 2 357.462 0.914 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001098223407 1219743520 /nfs/dbraw/zinc/74/35/20/1219743520.db2.gz KBHVASZXVZTYSD-OAGGEKHMSA-N 2 2 357.458 0.803 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001098223407 1219743523 /nfs/dbraw/zinc/74/35/23/1219743523.db2.gz KBHVASZXVZTYSD-OAGGEKHMSA-N 2 2 357.458 0.803 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001098230479 1219744770 /nfs/dbraw/zinc/74/47/70/1219744770.db2.gz HQMCMJOWDDCHBX-QIJZBDPFSA-N 2 2 357.458 0.713 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001098230479 1219744772 /nfs/dbraw/zinc/74/47/72/1219744772.db2.gz HQMCMJOWDDCHBX-QIJZBDPFSA-N 2 2 357.458 0.713 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C3)n1 ZINC001098286696 1219752117 /nfs/dbraw/zinc/75/21/17/1219752117.db2.gz MTQOXZQPMSKSQZ-OIISXLGYSA-N 2 2 357.462 0.891 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C3)n1 ZINC001098286696 1219752121 /nfs/dbraw/zinc/75/21/21/1219752121.db2.gz MTQOXZQPMSKSQZ-OIISXLGYSA-N 2 2 357.462 0.891 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([N@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098398319 1219773063 /nfs/dbraw/zinc/77/30/63/1219773063.db2.gz OLBGTZRNVRWPFL-USXIJHARSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098398319 1219773065 /nfs/dbraw/zinc/77/30/65/1219773065.db2.gz OLBGTZRNVRWPFL-USXIJHARSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([N@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098398319 1219773067 /nfs/dbraw/zinc/77/30/67/1219773067.db2.gz OLBGTZRNVRWPFL-USXIJHARSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([N@@H+](CCO)C[C@@H]2CCOC2)CC1 ZINC001098398319 1219773070 /nfs/dbraw/zinc/77/30/70/1219773070.db2.gz OLBGTZRNVRWPFL-USXIJHARSA-N 2 2 362.474 0.835 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001098773660 1219823934 /nfs/dbraw/zinc/82/39/34/1219823934.db2.gz LSAKLHQUILSSIQ-SCTDSRPQSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001098773660 1219823936 /nfs/dbraw/zinc/82/39/36/1219823936.db2.gz LSAKLHQUILSSIQ-SCTDSRPQSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773660 1219823940 /nfs/dbraw/zinc/82/39/40/1219823940.db2.gz LSAKLHQUILSSIQ-SCTDSRPQSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773660 1219823941 /nfs/dbraw/zinc/82/39/41/1219823941.db2.gz LSAKLHQUILSSIQ-SCTDSRPQSA-N 2 2 359.474 0.586 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001098886011 1219852075 /nfs/dbraw/zinc/85/20/75/1219852075.db2.gz SUYAUCCMBJXYMD-BORJPKMPSA-N 2 2 355.446 0.776 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001098886011 1219852080 /nfs/dbraw/zinc/85/20/80/1219852080.db2.gz SUYAUCCMBJXYMD-BORJPKMPSA-N 2 2 355.446 0.776 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001098886011 1219852082 /nfs/dbraw/zinc/85/20/82/1219852082.db2.gz SUYAUCCMBJXYMD-BORJPKMPSA-N 2 2 355.446 0.776 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001098886011 1219852086 /nfs/dbraw/zinc/85/20/86/1219852086.db2.gz SUYAUCCMBJXYMD-BORJPKMPSA-N 2 2 355.446 0.776 20 0 FCADLP 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c1nnc(C2CC[NH+](CCOCC[NH+]3CCC(c4nc[nH]n4)CC3)CC2)[nH]1 ZINC000751500323 1220037442 /nfs/dbraw/zinc/03/74/42/1220037442.db2.gz WWWMJEAAKXVZJH-UHFFFAOYSA-N 2 2 374.493 0.998 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001228669833 1225941269 /nfs/dbraw/zinc/94/12/69/1225941269.db2.gz VBLGOEPHWKZKGK-KLHDSHLOSA-N 2 2 359.474 0.819 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101278763 1220264547 /nfs/dbraw/zinc/26/45/47/1220264547.db2.gz ZPTMNNRAQBAAGO-XIKOKIGWSA-N 2 2 370.413 0.152 20 0 FCADLP C[C@]12CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]1C[N@@H+](CC(=O)NC(N)=O)C2 ZINC001101278763 1220264552 /nfs/dbraw/zinc/26/45/52/1220264552.db2.gz ZPTMNNRAQBAAGO-XIKOKIGWSA-N 2 2 370.413 0.152 20 0 FCADLP C[C@]12CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101297222 1220274700 /nfs/dbraw/zinc/27/47/00/1220274700.db2.gz VLKFCTMZMBJZII-BEFAXECRSA-N 2 2 358.442 0.737 20 0 FCADLP 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CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001104213843 1221022542 /nfs/dbraw/zinc/02/25/42/1221022542.db2.gz TWARMVCFZUBEST-LVQVYYBASA-N 2 2 363.510 0.515 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnn(C)n3)C2)CC[N@H+]1C ZINC001104213843 1221022546 /nfs/dbraw/zinc/02/25/46/1221022546.db2.gz TWARMVCFZUBEST-LVQVYYBASA-N 2 2 363.510 0.515 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111732042 1221079973 /nfs/dbraw/zinc/07/99/73/1221079973.db2.gz YZPWHXTUPBHPDN-KHYOSLBOSA-N 2 2 359.474 0.934 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001111732042 1221079976 /nfs/dbraw/zinc/07/99/76/1221079976.db2.gz YZPWHXTUPBHPDN-KHYOSLBOSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001111773827 1221102349 /nfs/dbraw/zinc/10/23/49/1221102349.db2.gz QAFSJWCVCGDWHN-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001111773827 1221102350 /nfs/dbraw/zinc/10/23/50/1221102350.db2.gz QAFSJWCVCGDWHN-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001111773827 1221102353 /nfs/dbraw/zinc/10/23/53/1221102353.db2.gz QAFSJWCVCGDWHN-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001111773827 1221102355 /nfs/dbraw/zinc/10/23/55/1221102355.db2.gz QAFSJWCVCGDWHN-GMBSWORKSA-N 2 2 359.474 0.934 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1)C1CC1 ZINC001111824866 1221126793 /nfs/dbraw/zinc/12/67/93/1221126793.db2.gz AFOHNNDMSQTGBL-KXBFYZLASA-N 2 2 359.474 0.865 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1)C1CC1 ZINC001111824866 1221126796 /nfs/dbraw/zinc/12/67/96/1221126796.db2.gz AFOHNNDMSQTGBL-KXBFYZLASA-N 2 2 359.474 0.865 20 0 FCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)n1 ZINC001111861455 1221140299 /nfs/dbraw/zinc/14/02/99/1221140299.db2.gz OBKIPKKUCYARLG-KSSFIOAISA-N 2 2 365.478 0.681 20 0 FCADLP COCCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+](C)C)C2)n1 ZINC001111861455 1221140302 /nfs/dbraw/zinc/14/03/02/1221140302.db2.gz OBKIPKKUCYARLG-KSSFIOAISA-N 2 2 365.478 0.681 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001111902472 1221158632 /nfs/dbraw/zinc/15/86/32/1221158632.db2.gz DHNRNQNQXARUAL-LPHOPBHVSA-N 2 2 361.490 0.613 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001111902472 1221158636 /nfs/dbraw/zinc/15/86/36/1221158636.db2.gz DHNRNQNQXARUAL-LPHOPBHVSA-N 2 2 361.490 0.613 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(N(C)C)no1)C2 ZINC001111908550 1221162338 /nfs/dbraw/zinc/16/23/38/1221162338.db2.gz FSHHILUITHCIIR-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(N(C)C)no1)C2 ZINC001111908550 1221162339 /nfs/dbraw/zinc/16/23/39/1221162339.db2.gz FSHHILUITHCIIR-KSSFIOAISA-N 2 2 364.494 0.948 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnon2)C3)CC1 ZINC001111917297 1221167663 /nfs/dbraw/zinc/16/76/63/1221167663.db2.gz VCZVCSONBRPNDU-KSSFIOAISA-N 2 2 363.462 0.651 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnon2)C3)CC1 ZINC001111917297 1221167665 /nfs/dbraw/zinc/16/76/65/1221167665.db2.gz VCZVCSONBRPNDU-KSSFIOAISA-N 2 2 363.462 0.651 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001111964039 1221188301 /nfs/dbraw/zinc/18/83/01/1221188301.db2.gz GNDKQSIEPKBDDS-YJBOKZPZSA-N 2 2 357.462 0.615 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001111964039 1221188304 /nfs/dbraw/zinc/18/83/04/1221188304.db2.gz GNDKQSIEPKBDDS-YJBOKZPZSA-N 2 2 357.462 0.615 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111986284 1221194445 /nfs/dbraw/zinc/19/44/45/1221194445.db2.gz KDYPYVWLAIVLPI-VKJFTORMSA-N 2 2 363.462 0.509 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001111986284 1221194446 /nfs/dbraw/zinc/19/44/46/1221194446.db2.gz KDYPYVWLAIVLPI-VKJFTORMSA-N 2 2 363.462 0.509 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001112021274 1221203394 /nfs/dbraw/zinc/20/33/94/1221203394.db2.gz DIGXTLYCCKHZDK-WMZOPIPTSA-N 2 2 357.462 0.926 20 0 FCADLP CCc1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277408660 1226026069 /nfs/dbraw/zinc/02/60/69/1226026069.db2.gz RNPTVNZMHREFDP-GOSISDBHSA-N 2 2 358.446 0.672 20 0 FCADLP CCc1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001277408660 1226026076 /nfs/dbraw/zinc/02/60/76/1226026076.db2.gz RNPTVNZMHREFDP-GOSISDBHSA-N 2 2 358.446 0.672 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112331270 1221239558 /nfs/dbraw/zinc/23/95/58/1221239558.db2.gz HCAFJZQSJZIOIO-YJBOKZPZSA-N 2 2 357.462 0.852 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001112410662 1221254388 /nfs/dbraw/zinc/25/43/88/1221254388.db2.gz JWGYTIMZUFQHPA-HRLGVUPISA-N 2 2 359.474 0.820 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001112410662 1221254393 /nfs/dbraw/zinc/25/43/93/1221254393.db2.gz JWGYTIMZUFQHPA-HRLGVUPISA-N 2 2 359.474 0.820 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001112432238 1221258175 /nfs/dbraw/zinc/25/81/75/1221258175.db2.gz AJNLDHXGBMROMT-VCBZYWHSSA-N 2 2 359.474 0.410 20 0 FCADLP CCCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000784805056 1221260175 /nfs/dbraw/zinc/26/01/75/1221260175.db2.gz YKXWOROFYFXMPN-CQSZACIVSA-N 2 2 362.478 0.516 20 0 FCADLP CCCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000784805056 1221260177 /nfs/dbraw/zinc/26/01/77/1221260177.db2.gz YKXWOROFYFXMPN-CQSZACIVSA-N 2 2 362.478 0.516 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccnn3CC3CC3)C2)CC1 ZINC000784803102 1221260358 /nfs/dbraw/zinc/26/03/58/1221260358.db2.gz MBLVMZHMYNQNIK-HNNXBMFYSA-N 2 2 374.489 0.516 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccnn3CC3CC3)C2)CC1 ZINC000784803102 1221260364 /nfs/dbraw/zinc/26/03/64/1221260364.db2.gz MBLVMZHMYNQNIK-HNNXBMFYSA-N 2 2 374.489 0.516 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3ncnn3C)CCCCC2)O1 ZINC001115594036 1221317280 /nfs/dbraw/zinc/31/72/80/1221317280.db2.gz VTENJNMVGZNIGO-HUUCEWRRSA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2([NH2+]Cc3ncnn3C)CCCCC2)O1 ZINC001115594036 1221317285 /nfs/dbraw/zinc/31/72/85/1221317285.db2.gz VTENJNMVGZNIGO-HUUCEWRRSA-N 2 2 364.494 0.443 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C)c1nnnn1C ZINC001230019444 1226046266 /nfs/dbraw/zinc/04/62/66/1226046266.db2.gz ZFCGCCKSAXQISK-NWANDNLSSA-N 2 2 360.466 0.654 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149851 1226059434 /nfs/dbraw/zinc/05/94/34/1226059434.db2.gz SOYQXDHYXAOXLZ-FVQBIDKESA-N 2 2 365.478 0.863 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1 ZINC001230149610 1226059099 /nfs/dbraw/zinc/05/90/99/1226059099.db2.gz OKDFNLZMVDVKRE-BRWVUGGUSA-N 2 2 361.490 0.962 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC001230149498 1226059423 /nfs/dbraw/zinc/05/94/23/1226059423.db2.gz LUCNMSBSRUVYGA-FVQBIDKESA-N 2 2 365.478 0.863 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791166 1222212055 /nfs/dbraw/zinc/21/20/55/1222212055.db2.gz JMCZGWDJKDFCQC-WDEIXPSFSA-N 2 2 359.474 0.675 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)N1CC[NH2+]CC1 ZINC001121810740 1222213763 /nfs/dbraw/zinc/21/37/63/1222213763.db2.gz OIJGPLQTZCMMEA-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)N1CC[NH2+]CC1 ZINC001121810740 1222213771 /nfs/dbraw/zinc/21/37/71/1222213771.db2.gz OIJGPLQTZCMMEA-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001121939154 1222226588 /nfs/dbraw/zinc/22/65/88/1222226588.db2.gz ZMSZZKCSYMQXKA-OFLPRAFFSA-N 2 2 361.490 0.784 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510811 1222336166 /nfs/dbraw/zinc/33/61/66/1222336166.db2.gz WMYAFVQYUAPWKO-YJBOKZPZSA-N 2 2 371.485 0.401 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510811 1222336172 /nfs/dbraw/zinc/33/61/72/1222336172.db2.gz WMYAFVQYUAPWKO-YJBOKZPZSA-N 2 2 371.485 0.401 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831252291 1222493882 /nfs/dbraw/zinc/49/38/82/1222493882.db2.gz FQPREDSQENJUAI-UHFFFAOYSA-N 2 2 360.466 0.714 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cc(F)ccn3)CC2)C1=O ZINC001232493555 1226154210 /nfs/dbraw/zinc/15/42/10/1226154210.db2.gz HYUIJKVGYLZBTD-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cc(F)ccn3)CC2)C1=O ZINC001232493555 1226154213 /nfs/dbraw/zinc/15/42/13/1226154213.db2.gz HYUIJKVGYLZBTD-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)n2C ZINC001142251017 1222818845 /nfs/dbraw/zinc/81/88/45/1222818845.db2.gz TYACWKMNDRTBHR-CQSZACIVSA-N 2 2 372.473 0.829 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142344728 1222825273 /nfs/dbraw/zinc/82/52/73/1222825273.db2.gz MTMHXOVOGZWCEN-KRWDZBQOSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC001142344728 1222825274 /nfs/dbraw/zinc/82/52/74/1222825274.db2.gz MTMHXOVOGZWCEN-KRWDZBQOSA-N 2 2 360.458 0.609 20 0 FCADLP CC1(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000842058860 1222834111 /nfs/dbraw/zinc/83/41/11/1222834111.db2.gz ZFSRJWWZEUJKHH-UHFFFAOYSA-N 2 2 355.442 0.994 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1C ZINC000842147129 1222837232 /nfs/dbraw/zinc/83/72/32/1222837232.db2.gz BKDXIJKMJYRWDH-JSGCOSHPSA-N 2 2 364.446 0.552 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000842195331 1222840084 /nfs/dbraw/zinc/84/00/84/1222840084.db2.gz MTUNPLIGRNUZDK-INIZCTEOSA-N 2 2 373.501 0.706 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000842195648 1222840226 /nfs/dbraw/zinc/84/02/26/1222840226.db2.gz PRIIMSVFQWWDPG-UHFFFAOYSA-N 2 2 373.501 0.706 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@@H]1C ZINC000843251378 1222864758 /nfs/dbraw/zinc/86/47/58/1222864758.db2.gz FEPGXXRSSBRDHU-IXDOHACOSA-N 2 2 364.490 0.027 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@@H]1C ZINC000843251378 1222864759 /nfs/dbraw/zinc/86/47/59/1222864759.db2.gz FEPGXXRSSBRDHU-IXDOHACOSA-N 2 2 364.490 0.027 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143306610 1222876904 /nfs/dbraw/zinc/87/69/04/1222876904.db2.gz FZFDHSLBLGXOEX-APWZRJJASA-N 2 2 367.490 0.583 20 0 FCADLP CCc1cc(N2CCC([C@@H]([NH3+])C(=O)OC)CC2)nc(N2CCOCC2)[nH+]1 ZINC001155160430 1223027470 /nfs/dbraw/zinc/02/74/70/1223027470.db2.gz UUNUBMBPQDPERW-MRXNPFEDSA-N 2 2 363.462 0.592 20 0 FCADLP C1CCN(c2nc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc(N3CCCC3)[nH+]2)C1 ZINC001155627412 1223040215 /nfs/dbraw/zinc/04/02/15/1223040215.db2.gz ZWARILSJYGMFKW-HNAYVOBHSA-N 2 2 373.505 0.817 20 0 FCADLP COc1cc2c(cc1OC)[C@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001157423267 1223076572 /nfs/dbraw/zinc/07/65/72/1223076572.db2.gz QDZJBRLAEWXMES-XJKSGUPXSA-N 2 2 362.474 0.210 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)N2CCC2)O1 ZINC001158124931 1223089889 /nfs/dbraw/zinc/08/98/89/1223089889.db2.gz YPJPTSSUZDOHLH-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)N2CCC2)O1 ZINC001158124931 1223089892 /nfs/dbraw/zinc/08/98/92/1223089892.db2.gz YPJPTSSUZDOHLH-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)N2CCC2)O1 ZINC001158124931 1223089894 /nfs/dbraw/zinc/08/98/94/1223089894.db2.gz YPJPTSSUZDOHLH-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)N2CCC2)O1 ZINC001158124931 1223089896 /nfs/dbraw/zinc/08/98/96/1223089896.db2.gz YPJPTSSUZDOHLH-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP [NH3+][C@H](CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C(=O)OCc1ccccc1 ZINC001158567137 1223102251 /nfs/dbraw/zinc/10/22/51/1223102251.db2.gz DTTAHAQLSJLLCF-BZUAXINKSA-N 2 2 363.433 0.983 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001158672289 1223105039 /nfs/dbraw/zinc/10/50/39/1223105039.db2.gz PJGRDDBQWMRHCV-XMTFNYHQSA-N 2 2 371.441 0.650 20 0 FCADLP [NH3+][C@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC12COC2 ZINC001158769494 1223107957 /nfs/dbraw/zinc/10/79/57/1223107957.db2.gz QORNVHBPQOUCSG-KRWDZBQOSA-N 2 2 366.469 0.967 20 0 FCADLP Cn1ncc2c1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C[C@H]2COc1cccnc1 ZINC001158855516 1223111524 /nfs/dbraw/zinc/11/15/24/1223111524.db2.gz GRPUVRQDENQNGA-XEZPLFJOSA-N 2 2 356.430 0.009 20 0 FCADLP [NH3+]C1(C(=O)N2C[C@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)CC[NH2+]CC1 ZINC001158904462 1223112098 /nfs/dbraw/zinc/11/20/98/1223112098.db2.gz TWBCRFPAMOGXPA-FVQBIDKESA-N 2 2 373.457 0.107 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CC[NH2+]CC1 ZINC001159028443 1223115836 /nfs/dbraw/zinc/11/58/36/1223115836.db2.gz AMDNGUOGEJDSQP-UHFFFAOYSA-N 2 2 371.485 0.504 20 0 FCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C[C@@H]21 ZINC001159048137 1223116244 /nfs/dbraw/zinc/11/62/44/1223116244.db2.gz OHGIWGHCZYZXLC-ZJPYXAASSA-N 2 2 374.485 0.601 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001159075738 1223116649 /nfs/dbraw/zinc/11/66/49/1223116649.db2.gz GIZWXLMGURHSES-VQIMIIECSA-N 2 2 365.474 0.551 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001159074404 1223116703 /nfs/dbraw/zinc/11/67/03/1223116703.db2.gz AVGUNHPLEUVFTQ-JEWRLFTDSA-N 2 2 367.490 0.629 20 0 FCADLP NC(=[NH2+])NCCCCC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159191518 1223119948 /nfs/dbraw/zinc/11/99/48/1223119948.db2.gz HRUWZPZETUBOTE-HNNXBMFYSA-N 2 2 362.478 0.921 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159282694 1223122588 /nfs/dbraw/zinc/12/25/88/1223122588.db2.gz GVAYBVGTVAXGCI-INIZCTEOSA-N 2 2 370.457 0.221 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159472575 1223127754 /nfs/dbraw/zinc/12/77/54/1223127754.db2.gz WHRCQDKOFZNPFL-CUDHKJQZSA-N 3 2 362.518 0.145 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159472575 1223127755 /nfs/dbraw/zinc/12/77/55/1223127755.db2.gz WHRCQDKOFZNPFL-CUDHKJQZSA-N 3 2 362.518 0.145 20 0 FCADLP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514580 1223129520 /nfs/dbraw/zinc/12/95/20/1223129520.db2.gz HIMFMIZDFAVUFP-AWEZNQCLSA-N 2 2 371.470 0.887 20 0 FCADLP O=C(N1Cc2nccn2C[C@H](COCC2CC2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159585242 1223130306 /nfs/dbraw/zinc/13/03/06/1223130306.db2.gz NNNXYIMTPYRPAW-FRQCXROJSA-N 2 2 359.474 0.220 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)cc1 ZINC001159609620 1223131415 /nfs/dbraw/zinc/13/14/15/1223131415.db2.gz OCXPERHXXYWKAB-BRSBDYLESA-N 2 2 372.469 0.401 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667138 1223133178 /nfs/dbraw/zinc/13/31/78/1223133178.db2.gz SUXGMRIIRUDJKO-OALUTQOASA-N 3 2 373.501 0.225 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667138 1223133180 /nfs/dbraw/zinc/13/31/80/1223133180.db2.gz SUXGMRIIRUDJKO-OALUTQOASA-N 3 2 373.501 0.225 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001159695752 1223133937 /nfs/dbraw/zinc/13/39/37/1223133937.db2.gz GCCOCBDRDYNRFE-MXASKKJJSA-N 2 2 371.441 0.760 20 0 FCADLP C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159696012 1223134033 /nfs/dbraw/zinc/13/40/33/1223134033.db2.gz HLRRLEMCKGRILF-WTANOLMUSA-N 2 2 359.474 0.664 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159745756 1223135497 /nfs/dbraw/zinc/13/54/97/1223135497.db2.gz AXDGHUHWEXXBLI-ARFHVFGLSA-N 2 2 373.388 0.061 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)cc1 ZINC001159769038 1223136192 /nfs/dbraw/zinc/13/61/92/1223136192.db2.gz HEPZWTZKYGQHML-TVFCKZIOSA-N 2 2 372.469 0.543 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)C1 ZINC001159965292 1223140914 /nfs/dbraw/zinc/14/09/14/1223140914.db2.gz BFUCYROHYYVBMQ-PNYFIKQUSA-N 2 2 374.485 0.685 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)C1 ZINC001159965288 1223140991 /nfs/dbraw/zinc/14/09/91/1223140991.db2.gz BFUCYROHYYVBMQ-DOADOZAASA-N 2 2 374.485 0.685 20 0 FCADLP O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159970452 1223141432 /nfs/dbraw/zinc/14/14/32/1223141432.db2.gz ZRQMOVWNTQFRSU-HMPASCQOSA-N 2 2 372.444 0.450 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160086036 1223144747 /nfs/dbraw/zinc/14/47/47/1223144747.db2.gz QNHBGFPNWAYACK-MDZRGWNJSA-N 2 2 368.441 0.230 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NCc1ccco1 ZINC001160337252 1223155689 /nfs/dbraw/zinc/15/56/89/1223155689.db2.gz XXOJHPAAJYHBNG-BPLDGKMQSA-N 2 2 359.430 0.907 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)NCc1ccco1 ZINC001160337252 1223155693 /nfs/dbraw/zinc/15/56/93/1223155693.db2.gz XXOJHPAAJYHBNG-BPLDGKMQSA-N 2 2 359.430 0.907 20 0 FCADLP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336755 1223155816 /nfs/dbraw/zinc/15/58/16/1223155816.db2.gz LIBWPEXCIMSYKS-CHWSQXEVSA-N 2 2 359.434 0.588 20 0 FCADLP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336755 1223155817 /nfs/dbraw/zinc/15/58/17/1223155817.db2.gz LIBWPEXCIMSYKS-CHWSQXEVSA-N 2 2 359.434 0.588 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160381820 1223156769 /nfs/dbraw/zinc/15/67/69/1223156769.db2.gz DUEPJWSEEOPTJB-QGZVFWFLSA-N 3 2 363.510 0.178 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001160381820 1223156774 /nfs/dbraw/zinc/15/67/74/1223156774.db2.gz DUEPJWSEEOPTJB-QGZVFWFLSA-N 3 2 363.510 0.178 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160483529 1223162617 /nfs/dbraw/zinc/16/26/17/1223162617.db2.gz SEEXNIRCSNGAJU-KRWDZBQOSA-N 2 2 361.490 0.258 20 0 FCADLP CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cn1 ZINC001160490459 1223162769 /nfs/dbraw/zinc/16/27/69/1223162769.db2.gz RKJXXZQSKXRJNJ-RDJZCZTQSA-N 2 2 359.478 0.471 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160621027 1223166684 /nfs/dbraw/zinc/16/66/84/1223166684.db2.gz ITQNCUPVPIVKCZ-HNNXBMFYSA-N 2 2 369.404 0.643 20 0 FCADLP CN(C(=O)CN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1)c1ccccc1 ZINC001160895699 1223179910 /nfs/dbraw/zinc/17/99/10/1223179910.db2.gz YYWMWENWDJBZHO-HLIPFELVSA-N 2 2 371.485 0.015 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001160905515 1223180273 /nfs/dbraw/zinc/18/02/73/1223180273.db2.gz OJJGQBXCJWNBML-DLBZAZTESA-N 2 2 363.458 0.799 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1)c1ccccc1 ZINC001160906834 1223180623 /nfs/dbraw/zinc/18/06/23/1223180623.db2.gz PVAPQCRBYNYELK-ZWKOTPCHSA-N 2 2 374.485 0.468 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1)c1ccccc1 ZINC001160905250 1223180680 /nfs/dbraw/zinc/18/06/80/1223180680.db2.gz LGRAAKCEBMAZCM-INDMIFKZSA-N 2 2 358.486 0.468 20 0 FCADLP O=C1C[NH2+]CCN1CCNc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001161019969 1223183591 /nfs/dbraw/zinc/18/35/91/1223183591.db2.gz VZFOXHDSLCFXEK-UHFFFAOYSA-N 2 2 366.469 0.879 20 0 FCADLP O=C1C[NH2+]CCN1CCNc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001161019969 1223183595 /nfs/dbraw/zinc/18/35/95/1223183595.db2.gz VZFOXHDSLCFXEK-UHFFFAOYSA-N 2 2 366.469 0.879 20 0 FCADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161146239 1223186835 /nfs/dbraw/zinc/18/68/35/1223186835.db2.gz NWXBKNAGGXQMIQ-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161146239 1223186839 /nfs/dbraw/zinc/18/68/39/1223186839.db2.gz NWXBKNAGGXQMIQ-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C1 ZINC001161138631 1223187083 /nfs/dbraw/zinc/18/70/83/1223187083.db2.gz CCOMSOBQGNCPTM-YLJYHZDGSA-N 2 2 374.485 0.562 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CC2(c3ccccc3F)CC[NH2+]CC2)C1 ZINC001161138464 1223187124 /nfs/dbraw/zinc/18/71/24/1223187124.db2.gz AUKBWBKIERQCDG-LJQANCHMSA-N 2 2 363.433 0.940 20 0 FCADLP Nc1cc[nH+]cc1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161200429 1223189459 /nfs/dbraw/zinc/18/94/59/1223189459.db2.gz DQODDESFEPFTKL-UHFFFAOYSA-N 3 2 361.490 0.658 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239209 1223191304 /nfs/dbraw/zinc/19/13/04/1223191304.db2.gz YEHSGGRDEPLHBK-DOTOQJQBSA-N 2 2 356.426 0.420 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001161239209 1223191307 /nfs/dbraw/zinc/19/13/07/1223191307.db2.gz YEHSGGRDEPLHBK-DOTOQJQBSA-N 2 2 356.426 0.420 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161248584 1223191904 /nfs/dbraw/zinc/19/19/04/1223191904.db2.gz CUGYCNXYMYGUGO-BZUAXINKSA-N 2 2 359.474 0.926 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161248584 1223191909 /nfs/dbraw/zinc/19/19/09/1223191909.db2.gz CUGYCNXYMYGUGO-BZUAXINKSA-N 2 2 359.474 0.926 20 0 FCADLP CCn1c2ccccc2nc1N1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001161297033 1223194067 /nfs/dbraw/zinc/19/40/67/1223194067.db2.gz PZIWRFBHDCQNHX-UHFFFAOYSA-N 2 2 356.474 0.786 20 0 FCADLP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423613 1223199200 /nfs/dbraw/zinc/19/92/00/1223199200.db2.gz HAKOFHVAHZULIV-CJNGLKHVSA-N 2 2 357.410 0.675 20 0 FCADLP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423613 1223199203 /nfs/dbraw/zinc/19/92/03/1223199203.db2.gz HAKOFHVAHZULIV-CJNGLKHVSA-N 2 2 357.410 0.675 20 0 FCADLP O=C(CCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1)c1ccc(F)cc1 ZINC001161516635 1223203685 /nfs/dbraw/zinc/20/36/85/1223203685.db2.gz FWNMMLQJTDHVLH-KRWDZBQOSA-N 2 2 362.449 0.494 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2NCN[C@H]21 ZINC001162437287 1223215831 /nfs/dbraw/zinc/21/58/31/1223215831.db2.gz BENUJVVYYDKBKW-ZCNNSNEGSA-N 2 2 365.485 0.137 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2NCN[C@H]21 ZINC001162437287 1223215834 /nfs/dbraw/zinc/21/58/34/1223215834.db2.gz BENUJVVYYDKBKW-ZCNNSNEGSA-N 2 2 365.485 0.137 20 0 FCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cc2[nH]ccc2c[nH+]1 ZINC001162842691 1223220901 /nfs/dbraw/zinc/22/09/01/1223220901.db2.gz SWFNDHLNKRTOAQ-ZFWWWQNUSA-N 2 2 367.413 0.095 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccnc(NCc3nnn4c3C[NH2+]CCC4)c2)CC1 ZINC001162973760 1223222510 /nfs/dbraw/zinc/22/25/10/1223222510.db2.gz ZCYNCMCZDZLPKV-UHFFFAOYSA-N 2 2 370.461 0.166 20 0 FCADLP C[NH+]1CCN(c2nccc(N3CC([C@H]([NH3+])C(=O)OC(C)(C)C)C3)n2)CC1 ZINC001163123391 1223226832 /nfs/dbraw/zinc/22/68/32/1223226832.db2.gz FRQAERDHFVBYAZ-HNNXBMFYSA-N 2 2 362.478 0.334 20 0 FCADLP COC(=O)C1CCN(c2cc(NC[C@]34C[NH2+]C[C@H]3COC4)[nH+]cn2)CC1 ZINC001163147824 1223227196 /nfs/dbraw/zinc/22/71/96/1223227196.db2.gz NSDWYOVIIBZNKV-KSSFIOAISA-N 2 2 361.446 0.514 20 0 FCADLP COC(=O)C1CCN(c2cc(NC[C@]34C[NH2+]C[C@H]3COC4)nc[nH+]2)CC1 ZINC001163147824 1223227198 /nfs/dbraw/zinc/22/71/98/1223227198.db2.gz NSDWYOVIIBZNKV-KSSFIOAISA-N 2 2 361.446 0.514 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1 ZINC001163280291 1223228541 /nfs/dbraw/zinc/22/85/41/1223228541.db2.gz SEZUHLMQSAHYEF-IFXJQAMLSA-N 2 2 374.489 0.749 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1 ZINC001163280291 1223228543 /nfs/dbraw/zinc/22/85/43/1223228543.db2.gz SEZUHLMQSAHYEF-IFXJQAMLSA-N 2 2 374.489 0.749 20 0 FCADLP CN1CCN(c2cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1=O ZINC001163278833 1223228582 /nfs/dbraw/zinc/22/85/82/1223228582.db2.gz KONVREVUEATVLX-KDOFPFPSSA-N 2 2 360.462 0.326 20 0 FCADLP CN1CCN(c2cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1=O ZINC001163278833 1223228584 /nfs/dbraw/zinc/22/85/84/1223228584.db2.gz KONVREVUEATVLX-KDOFPFPSSA-N 2 2 360.462 0.326 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1 ZINC001163280290 1223228631 /nfs/dbraw/zinc/22/86/31/1223228631.db2.gz SEZUHLMQSAHYEF-AUUYWEPGSA-N 2 2 374.489 0.749 20 0 FCADLP NC(=O)C1CCN(c2cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1 ZINC001163280290 1223228635 /nfs/dbraw/zinc/22/86/35/1223228635.db2.gz SEZUHLMQSAHYEF-AUUYWEPGSA-N 2 2 374.489 0.749 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]cn2)CC1 ZINC001163309167 1223229348 /nfs/dbraw/zinc/22/93/48/1223229348.db2.gz GLRCZXGXMAWEEW-RDTXWAMCSA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc[nH+]2)CC1 ZINC001163309167 1223229349 /nfs/dbraw/zinc/22/93/49/1223229349.db2.gz GLRCZXGXMAWEEW-RDTXWAMCSA-N 2 2 360.462 0.501 20 0 FCADLP O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)NCC1CC1 ZINC001165594325 1223249829 /nfs/dbraw/zinc/24/98/29/1223249829.db2.gz ZQLCJNMVZPIZAP-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)NCC1CC1 ZINC001165594325 1223249830 /nfs/dbraw/zinc/24/98/30/1223249830.db2.gz ZQLCJNMVZPIZAP-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001165727622 1223255736 /nfs/dbraw/zinc/25/57/36/1223255736.db2.gz DVWGWMKYENKFQL-VNHYZAJKSA-N 2 2 364.494 0.769 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001165727622 1223255739 /nfs/dbraw/zinc/25/57/39/1223255739.db2.gz DVWGWMKYENKFQL-VNHYZAJKSA-N 2 2 364.494 0.769 20 0 FCADLP CN(C)C1=[NH+]OC2(C1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001166033449 1223265529 /nfs/dbraw/zinc/26/55/29/1223265529.db2.gz XFIPBZZVNSLLLM-UHFFFAOYSA-N 2 2 372.473 0.761 20 0 FCADLP O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2ccc(N3CC[NH2+]CC3)c[nH+]2)O1 ZINC001166071387 1223266202 /nfs/dbraw/zinc/26/62/02/1223266202.db2.gz JROPIZODAREVQI-KURKYZTESA-N 2 2 371.485 0.754 20 0 FCADLP [NH3+]C[C@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CCO1 ZINC001166939854 1223289797 /nfs/dbraw/zinc/28/97/97/1223289797.db2.gz PNPHSPXGOYLKLL-KRWDZBQOSA-N 2 2 354.458 0.967 20 0 FCADLP [NH3+]C[C@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)CCO1 ZINC001166939854 1223289801 /nfs/dbraw/zinc/28/98/01/1223289801.db2.gz PNPHSPXGOYLKLL-KRWDZBQOSA-N 2 2 354.458 0.967 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]Cc1nc(C2CC2)nn1C ZINC001166961595 1223290249 /nfs/dbraw/zinc/29/02/49/1223290249.db2.gz SNGMFADNPZZGCH-ZIAGYGMSSA-N 2 2 357.462 0.826 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977916271 1248671260 /nfs/dbraw/zinc/67/12/60/1248671260.db2.gz IHOXPPZUKTWYKD-ARFHVFGLSA-N 2 2 359.474 0.914 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977916271 1248671268 /nfs/dbraw/zinc/67/12/68/1248671268.db2.gz IHOXPPZUKTWYKD-ARFHVFGLSA-N 2 2 359.474 0.914 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205446072 1223323796 /nfs/dbraw/zinc/32/37/96/1223323796.db2.gz SYXXEQUVMXXRHH-LSDHHAIUSA-N 2 2 359.405 0.422 20 0 FCADLP O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)NCC1CC1 ZINC001205487735 1223327539 /nfs/dbraw/zinc/32/75/39/1223327539.db2.gz KGDYCCSORXPQFQ-HZPDHXFCSA-N 2 2 359.474 0.868 20 0 FCADLP O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)NCC1CC1 ZINC001205487735 1223327543 /nfs/dbraw/zinc/32/75/43/1223327543.db2.gz KGDYCCSORXPQFQ-HZPDHXFCSA-N 2 2 359.474 0.868 20 0 FCADLP CCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325165 1223355196 /nfs/dbraw/zinc/35/51/96/1223355196.db2.gz FOWGTIPJWZNGAP-HZPDHXFCSA-N 2 2 361.490 0.878 20 0 FCADLP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(=O)N(C)C ZINC001206319229 1223355441 /nfs/dbraw/zinc/35/54/41/1223355441.db2.gz AQWKOXZGDNMZHC-FVQBIDKESA-N 2 2 361.490 0.829 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206619410 1223362951 /nfs/dbraw/zinc/36/29/51/1223362951.db2.gz AKHAMSVJHFIBOY-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206619410 1223362955 /nfs/dbraw/zinc/36/29/55/1223362955.db2.gz AKHAMSVJHFIBOY-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206619410 1223362959 /nfs/dbraw/zinc/36/29/59/1223362959.db2.gz AKHAMSVJHFIBOY-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206619410 1223362964 /nfs/dbraw/zinc/36/29/64/1223362964.db2.gz AKHAMSVJHFIBOY-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206992739 1223402308 /nfs/dbraw/zinc/40/23/08/1223402308.db2.gz FISLUCLFVQFBTG-MUIFIZLQSA-N 2 2 362.474 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206992739 1223402312 /nfs/dbraw/zinc/40/23/12/1223402312.db2.gz FISLUCLFVQFBTG-MUIFIZLQSA-N 2 2 362.474 0.673 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206992739 1223402316 /nfs/dbraw/zinc/40/23/16/1223402316.db2.gz FISLUCLFVQFBTG-MUIFIZLQSA-N 2 2 362.474 0.673 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206992739 1223402318 /nfs/dbraw/zinc/40/23/18/1223402318.db2.gz FISLUCLFVQFBTG-MUIFIZLQSA-N 2 2 362.474 0.673 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336207 1223438569 /nfs/dbraw/zinc/43/85/69/1223438569.db2.gz GAFYSANDBLEERL-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336207 1223438574 /nfs/dbraw/zinc/43/85/74/1223438574.db2.gz GAFYSANDBLEERL-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336207 1223438579 /nfs/dbraw/zinc/43/85/79/1223438579.db2.gz GAFYSANDBLEERL-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336207 1223438581 /nfs/dbraw/zinc/43/85/81/1223438581.db2.gz GAFYSANDBLEERL-ZACQAIPSSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703334 1223472378 /nfs/dbraw/zinc/47/23/78/1223472378.db2.gz YJONWMMWHFGZTR-GPCCPHFNSA-N 2 2 358.402 0.196 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703334 1223472379 /nfs/dbraw/zinc/47/23/79/1223472379.db2.gz YJONWMMWHFGZTR-GPCCPHFNSA-N 2 2 358.402 0.196 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208008513 1223505168 /nfs/dbraw/zinc/50/51/68/1223505168.db2.gz WEDATYUKAMJONB-FVQBIDKESA-N 2 2 365.478 0.169 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208008513 1223505171 /nfs/dbraw/zinc/50/51/71/1223505171.db2.gz WEDATYUKAMJONB-FVQBIDKESA-N 2 2 365.478 0.169 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057151 1223510161 /nfs/dbraw/zinc/51/01/61/1223510161.db2.gz HQDSZAYEXLMAHV-BRWVUGGUSA-N 2 2 366.506 0.823 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057151 1223510162 /nfs/dbraw/zinc/51/01/62/1223510162.db2.gz HQDSZAYEXLMAHV-BRWVUGGUSA-N 2 2 366.506 0.823 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208056868 1223510933 /nfs/dbraw/zinc/51/09/33/1223510933.db2.gz BRZKRRHASVLDJP-OWCLPIDISA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208056868 1223510942 /nfs/dbraw/zinc/51/09/42/1223510942.db2.gz BRZKRRHASVLDJP-OWCLPIDISA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062025 1223511401 /nfs/dbraw/zinc/51/14/01/1223511401.db2.gz WGILYWIYUHOQRY-RBSFLKMASA-N 2 2 357.462 0.568 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208062025 1223511406 /nfs/dbraw/zinc/51/14/06/1223511406.db2.gz WGILYWIYUHOQRY-RBSFLKMASA-N 2 2 357.462 0.568 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061850 1223511865 /nfs/dbraw/zinc/51/18/65/1223511865.db2.gz QLIULQUQWJHGNK-HUUCEWRRSA-N 2 2 364.494 0.497 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061850 1223511869 /nfs/dbraw/zinc/51/18/69/1223511869.db2.gz QLIULQUQWJHGNK-HUUCEWRRSA-N 2 2 364.494 0.497 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001208722806 1223573129 /nfs/dbraw/zinc/57/31/29/1223573129.db2.gz YTJMZVOSBVJTEA-DTZQCDIJSA-N 2 2 359.474 0.486 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001208722806 1223573133 /nfs/dbraw/zinc/57/31/33/1223573133.db2.gz YTJMZVOSBVJTEA-DTZQCDIJSA-N 2 2 359.474 0.486 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nn[nH]c1C(=O)NC ZINC001208742560 1223574735 /nfs/dbraw/zinc/57/47/35/1223574735.db2.gz AGFYEDITFFIILW-LBPRGKRZSA-N 2 2 366.470 0.044 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nn[nH]c1C(=O)NC ZINC001208742560 1223574739 /nfs/dbraw/zinc/57/47/39/1223574739.db2.gz AGFYEDITFFIILW-LBPRGKRZSA-N 2 2 366.470 0.044 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942468 1223586456 /nfs/dbraw/zinc/58/64/56/1223586456.db2.gz DOHRMGFKCOJRJJ-ZCNNSNEGSA-N 2 2 372.513 0.640 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942468 1223586457 /nfs/dbraw/zinc/58/64/57/1223586457.db2.gz DOHRMGFKCOJRJJ-ZCNNSNEGSA-N 2 2 372.513 0.640 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942468 1223586458 /nfs/dbraw/zinc/58/64/58/1223586458.db2.gz DOHRMGFKCOJRJJ-ZCNNSNEGSA-N 2 2 372.513 0.640 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208942468 1223586459 /nfs/dbraw/zinc/58/64/59/1223586459.db2.gz DOHRMGFKCOJRJJ-ZCNNSNEGSA-N 2 2 372.513 0.640 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609316 1223593459 /nfs/dbraw/zinc/59/34/59/1223593459.db2.gz IZXOYRLCGSSIRY-DNVCBOLYSA-N 2 2 367.490 0.931 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CC(=O)N(C[C@@H]3COC(C)(C)O3)C2=O)C1 ZINC001276609316 1223593463 /nfs/dbraw/zinc/59/34/63/1223593463.db2.gz IZXOYRLCGSSIRY-DNVCBOLYSA-N 2 2 367.490 0.931 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477578 1223622846 /nfs/dbraw/zinc/62/28/46/1223622846.db2.gz GKZFGNZHEOSCLT-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477578 1223622848 /nfs/dbraw/zinc/62/28/48/1223622848.db2.gz GKZFGNZHEOSCLT-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001209477177 1223622863 /nfs/dbraw/zinc/62/28/63/1223622863.db2.gz ABHANOLLWWLYMC-SJLPKXTDSA-N 2 2 363.506 0.859 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001209634878 1223635458 /nfs/dbraw/zinc/63/54/58/1223635458.db2.gz KJGSPLNYZAUITM-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001209634878 1223635461 /nfs/dbraw/zinc/63/54/61/1223635461.db2.gz KJGSPLNYZAUITM-QLFBSQMISA-N 2 2 362.478 0.582 20 0 FCADLP CN(C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001209690208 1223641425 /nfs/dbraw/zinc/64/14/25/1223641425.db2.gz PUSNCIVQNLTKMC-NUEKZKHPSA-N 2 2 359.474 0.725 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001209698432 1223641948 /nfs/dbraw/zinc/64/19/48/1223641948.db2.gz BWHDZRPPKJTTOJ-ARFHVFGLSA-N 2 2 361.490 0.971 20 0 FCADLP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001209730233 1223644767 /nfs/dbraw/zinc/64/47/67/1223644767.db2.gz IHQHZIHNCIXEMO-UHFFFAOYSA-N 3 2 360.506 0.164 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001209731031 1223645367 /nfs/dbraw/zinc/64/53/67/1223645367.db2.gz SSKDJNXWRXIYKE-APWZRJJASA-N 2 2 360.458 0.867 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001209731031 1223645374 /nfs/dbraw/zinc/64/53/74/1223645374.db2.gz SSKDJNXWRXIYKE-APWZRJJASA-N 2 2 360.458 0.867 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)C12CC[NH+](CC1)C2 ZINC000978050617 1248695366 /nfs/dbraw/zinc/69/53/66/1248695366.db2.gz FEPQOHVKZZVXND-RRFJBIMHSA-N 2 2 357.458 0.668 20 0 FCADLP CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC000978050617 1248695373 /nfs/dbraw/zinc/69/53/73/1248695373.db2.gz FEPQOHVKZZVXND-RRFJBIMHSA-N 2 2 357.458 0.668 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209836935 1223652860 /nfs/dbraw/zinc/65/28/60/1223652860.db2.gz SHKAHKHQTLGMPH-RHSMWYFYSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209836935 1223652864 /nfs/dbraw/zinc/65/28/64/1223652864.db2.gz SHKAHKHQTLGMPH-RHSMWYFYSA-N 2 2 361.490 0.832 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209835910 1223653001 /nfs/dbraw/zinc/65/30/01/1223653001.db2.gz FQPAUIJKHLBEIK-CRAIPNDOSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)n1 ZINC001209835910 1223653003 /nfs/dbraw/zinc/65/30/03/1223653003.db2.gz FQPAUIJKHLBEIK-CRAIPNDOSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001210336900 1223683632 /nfs/dbraw/zinc/68/36/32/1223683632.db2.gz IWHGWIMDCKHBEG-CZUORRHYSA-N 2 2 359.474 0.724 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001210336900 1223683636 /nfs/dbraw/zinc/68/36/36/1223683636.db2.gz IWHGWIMDCKHBEG-CZUORRHYSA-N 2 2 359.474 0.724 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CC1 ZINC001210717702 1223704578 /nfs/dbraw/zinc/70/45/78/1223704578.db2.gz KHINVQRMPAKLQJ-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CC1 ZINC001210717702 1223704581 /nfs/dbraw/zinc/70/45/81/1223704581.db2.gz KHINVQRMPAKLQJ-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211047076 1223721244 /nfs/dbraw/zinc/72/12/44/1223721244.db2.gz YUSKOKLPKFDPQP-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211047076 1223721249 /nfs/dbraw/zinc/72/12/49/1223721249.db2.gz YUSKOKLPKFDPQP-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447655 1223742717 /nfs/dbraw/zinc/74/27/17/1223742717.db2.gz AMTDZNCBCZXDQI-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447655 1223742720 /nfs/dbraw/zinc/74/27/20/1223742720.db2.gz AMTDZNCBCZXDQI-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211447655 1223742723 /nfs/dbraw/zinc/74/27/23/1223742723.db2.gz AMTDZNCBCZXDQI-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211447655 1223742724 /nfs/dbraw/zinc/74/27/24/1223742724.db2.gz AMTDZNCBCZXDQI-KBAYOESNSA-N 2 2 358.486 0.834 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219446 1223770597 /nfs/dbraw/zinc/77/05/97/1223770597.db2.gz SNIJYIBOKSSGHV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219446 1223770599 /nfs/dbraw/zinc/77/05/99/1223770599.db2.gz SNIJYIBOKSSGHV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219446 1223770602 /nfs/dbraw/zinc/77/06/02/1223770602.db2.gz SNIJYIBOKSSGHV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219446 1223770605 /nfs/dbraw/zinc/77/06/05/1223770605.db2.gz SNIJYIBOKSSGHV-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001213252018 1223778741 /nfs/dbraw/zinc/77/87/41/1223778741.db2.gz BIVXYMPIFPWAST-HZPDHXFCSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001213252018 1223778744 /nfs/dbraw/zinc/77/87/44/1223778744.db2.gz BIVXYMPIFPWAST-HZPDHXFCSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342107 1223788305 /nfs/dbraw/zinc/78/83/05/1223788305.db2.gz HGFNRFZREREMOM-BZUAXINKSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342107 1223788307 /nfs/dbraw/zinc/78/83/07/1223788307.db2.gz HGFNRFZREREMOM-BZUAXINKSA-N 2 2 366.506 0.153 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346406 1223788988 /nfs/dbraw/zinc/78/89/88/1223788988.db2.gz LNEKRLCXISLIKJ-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346406 1223788990 /nfs/dbraw/zinc/78/89/90/1223788990.db2.gz LNEKRLCXISLIKJ-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348856 1223789304 /nfs/dbraw/zinc/78/93/04/1223789304.db2.gz XJXSZWXSLOSBIT-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348856 1223789306 /nfs/dbraw/zinc/78/93/06/1223789306.db2.gz XJXSZWXSLOSBIT-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348849 1223789546 /nfs/dbraw/zinc/78/95/46/1223789546.db2.gz XDIVWHDBNUCNRI-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348849 1223789549 /nfs/dbraw/zinc/78/95/49/1223789549.db2.gz XDIVWHDBNUCNRI-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369407 1223791231 /nfs/dbraw/zinc/79/12/31/1223791231.db2.gz SGYUMAYZISPFPQ-DJIMGWMZSA-N 2 2 368.522 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369407 1223791234 /nfs/dbraw/zinc/79/12/34/1223791234.db2.gz SGYUMAYZISPFPQ-DJIMGWMZSA-N 2 2 368.522 0.304 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701349 1223792880 /nfs/dbraw/zinc/79/28/80/1223792880.db2.gz GZXDCTIVZBLDLZ-KBXCAEBGSA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701349 1223792882 /nfs/dbraw/zinc/79/28/82/1223792882.db2.gz GZXDCTIVZBLDLZ-KBXCAEBGSA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701352 1223793029 /nfs/dbraw/zinc/79/30/29/1223793029.db2.gz GZXDCTIVZBLDLZ-RDTXWAMCSA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701352 1223793032 /nfs/dbraw/zinc/79/30/32/1223793032.db2.gz GZXDCTIVZBLDLZ-RDTXWAMCSA-N 2 2 362.430 0.676 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446357 1223800294 /nfs/dbraw/zinc/80/02/94/1223800294.db2.gz JPIZABJUGWKFSF-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446357 1223800297 /nfs/dbraw/zinc/80/02/97/1223800297.db2.gz JPIZABJUGWKFSF-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446357 1223800298 /nfs/dbraw/zinc/80/02/98/1223800298.db2.gz JPIZABJUGWKFSF-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001213446357 1223800299 /nfs/dbraw/zinc/80/02/99/1223800299.db2.gz JPIZABJUGWKFSF-BZUAXINKSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213576597 1223817109 /nfs/dbraw/zinc/81/71/09/1223817109.db2.gz SONMDUUHODWYGB-IAGOWNOFSA-N 2 2 360.462 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213576597 1223817111 /nfs/dbraw/zinc/81/71/11/1223817111.db2.gz SONMDUUHODWYGB-IAGOWNOFSA-N 2 2 360.462 0.721 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578004 1223817144 /nfs/dbraw/zinc/81/71/44/1223817144.db2.gz BKAHJLRWLPJHIR-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578004 1223817145 /nfs/dbraw/zinc/81/71/45/1223817145.db2.gz BKAHJLRWLPJHIR-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728382 1223839601 /nfs/dbraw/zinc/83/96/01/1223839601.db2.gz INSVJTQCGKYPLR-ARFHVFGLSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728382 1223839604 /nfs/dbraw/zinc/83/96/04/1223839604.db2.gz INSVJTQCGKYPLR-ARFHVFGLSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747518 1223843097 /nfs/dbraw/zinc/84/30/97/1223843097.db2.gz LHEBKXQKEDRFBW-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747518 1223843098 /nfs/dbraw/zinc/84/30/98/1223843098.db2.gz LHEBKXQKEDRFBW-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747368 1223843196 /nfs/dbraw/zinc/84/31/96/1223843196.db2.gz HVCQISDBALWINV-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747368 1223843197 /nfs/dbraw/zinc/84/31/97/1223843197.db2.gz HVCQISDBALWINV-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759364 1223845322 /nfs/dbraw/zinc/84/53/22/1223845322.db2.gz HSGMNNJFLMOUQI-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759364 1223845324 /nfs/dbraw/zinc/84/53/24/1223845324.db2.gz HSGMNNJFLMOUQI-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759364 1223845327 /nfs/dbraw/zinc/84/53/27/1223845327.db2.gz HSGMNNJFLMOUQI-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213764967 1223845826 /nfs/dbraw/zinc/84/58/26/1223845826.db2.gz MQPTWYKNIVKQFD-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213764967 1223845828 /nfs/dbraw/zinc/84/58/28/1223845828.db2.gz MQPTWYKNIVKQFD-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213764967 1223845831 /nfs/dbraw/zinc/84/58/31/1223845831.db2.gz MQPTWYKNIVKQFD-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001213764967 1223845833 /nfs/dbraw/zinc/84/58/33/1223845833.db2.gz MQPTWYKNIVKQFD-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213767065 1223847103 /nfs/dbraw/zinc/84/71/03/1223847103.db2.gz FSMSWVUCPCIJRS-HUUCEWRRSA-N 2 2 371.526 0.241 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213767065 1223847106 /nfs/dbraw/zinc/84/71/06/1223847106.db2.gz FSMSWVUCPCIJRS-HUUCEWRRSA-N 2 2 371.526 0.241 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213767065 1223847107 /nfs/dbraw/zinc/84/71/07/1223847107.db2.gz FSMSWVUCPCIJRS-HUUCEWRRSA-N 2 2 371.526 0.241 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001213767065 1223847108 /nfs/dbraw/zinc/84/71/08/1223847108.db2.gz FSMSWVUCPCIJRS-HUUCEWRRSA-N 2 2 371.526 0.241 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863585 1223863869 /nfs/dbraw/zinc/86/38/69/1223863869.db2.gz OPDOYDRNKBUKGQ-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863585 1223863871 /nfs/dbraw/zinc/86/38/71/1223863871.db2.gz OPDOYDRNKBUKGQ-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868274 1223864748 /nfs/dbraw/zinc/86/47/48/1223864748.db2.gz LVVZUKSRNMDWOD-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868274 1223864750 /nfs/dbraw/zinc/86/47/50/1223864750.db2.gz LVVZUKSRNMDWOD-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927569 1223874207 /nfs/dbraw/zinc/87/42/07/1223874207.db2.gz QHWQEUGYSLIVLV-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927569 1223874209 /nfs/dbraw/zinc/87/42/09/1223874209.db2.gz QHWQEUGYSLIVLV-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927569 1223874212 /nfs/dbraw/zinc/87/42/12/1223874212.db2.gz QHWQEUGYSLIVLV-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927569 1223874215 /nfs/dbraw/zinc/87/42/15/1223874215.db2.gz QHWQEUGYSLIVLV-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929664 1223874340 /nfs/dbraw/zinc/87/43/40/1223874340.db2.gz GINXGYIFVWWASC-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929664 1223874341 /nfs/dbraw/zinc/87/43/41/1223874341.db2.gz GINXGYIFVWWASC-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929664 1223874344 /nfs/dbraw/zinc/87/43/44/1223874344.db2.gz GINXGYIFVWWASC-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929664 1223874346 /nfs/dbraw/zinc/87/43/46/1223874346.db2.gz GINXGYIFVWWASC-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001213931108 1223874897 /nfs/dbraw/zinc/87/48/97/1223874897.db2.gz DFTCMOFRQWQOIG-KURKYZTESA-N 2 2 365.474 0.114 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001213931108 1223874903 /nfs/dbraw/zinc/87/49/03/1223874903.db2.gz DFTCMOFRQWQOIG-KURKYZTESA-N 2 2 365.474 0.114 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930020 1223874981 /nfs/dbraw/zinc/87/49/81/1223874981.db2.gz WBVKMLFGULTCIA-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930020 1223874983 /nfs/dbraw/zinc/87/49/83/1223874983.db2.gz WBVKMLFGULTCIA-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930020 1223874985 /nfs/dbraw/zinc/87/49/85/1223874985.db2.gz WBVKMLFGULTCIA-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930020 1223874987 /nfs/dbraw/zinc/87/49/87/1223874987.db2.gz WBVKMLFGULTCIA-GVDBMIGSSA-N 2 2 368.522 0.543 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)no1 ZINC001214531234 1223918762 /nfs/dbraw/zinc/91/87/62/1223918762.db2.gz TZFGDBWJZGCGRI-DGCLKSJQSA-N 2 2 360.418 0.714 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001214531185 1223918785 /nfs/dbraw/zinc/91/87/85/1223918785.db2.gz REXMNKBOCNQTJG-MGPQQGTHSA-N 2 2 371.445 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214812149 1223944866 /nfs/dbraw/zinc/94/48/66/1223944866.db2.gz UZOWOAVKSZJTGG-CZUORRHYSA-N 2 2 359.430 0.688 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC001214812149 1223944867 /nfs/dbraw/zinc/94/48/67/1223944867.db2.gz UZOWOAVKSZJTGG-CZUORRHYSA-N 2 2 359.430 0.688 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214892638 1223952435 /nfs/dbraw/zinc/95/24/35/1223952435.db2.gz QPHPAZPDSSXURV-IXYNUQLISA-N 2 2 363.462 0.102 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215006158 1223963333 /nfs/dbraw/zinc/96/33/33/1223963333.db2.gz UFERUIHBVSFEAO-IIAWOOMASA-N 2 2 359.474 0.503 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)C2 ZINC001215006704 1223963632 /nfs/dbraw/zinc/96/36/32/1223963632.db2.gz ZTKAPPUYNBNZSV-HACGYAERSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)CC2 ZINC001215006704 1223963635 /nfs/dbraw/zinc/96/36/35/1223963635.db2.gz ZTKAPPUYNBNZSV-HACGYAERSA-N 2 2 361.490 0.784 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215008424 1223963735 /nfs/dbraw/zinc/96/37/35/1223963735.db2.gz NOCXAWBTHPYWJY-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024447 1223964770 /nfs/dbraw/zinc/96/47/70/1223964770.db2.gz KPEZNGGZQQFCFK-CZUORRHYSA-N 2 2 365.478 0.655 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001215227066 1223983988 /nfs/dbraw/zinc/98/39/88/1223983988.db2.gz XVWMKRRFGASCBY-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215384971 1223995221 /nfs/dbraw/zinc/99/52/21/1223995221.db2.gz JACXDJBDGPSLNV-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215384971 1223995224 /nfs/dbraw/zinc/99/52/24/1223995224.db2.gz JACXDJBDGPSLNV-DJIMGWMZSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)OCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215684817 1224012573 /nfs/dbraw/zinc/01/25/73/1224012573.db2.gz DNWUZNODWLSUFV-GDBMZVCRSA-N 2 2 365.478 0.320 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001215743223 1224015113 /nfs/dbraw/zinc/01/51/13/1224015113.db2.gz YZLPZOJKAOYVIC-BZUAXINKSA-N 2 2 366.506 0.202 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215854391 1224020556 /nfs/dbraw/zinc/02/05/56/1224020556.db2.gz DFBOCCXLAVPCOS-CKEIUWERSA-N 2 2 365.478 0.178 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215854391 1224020558 /nfs/dbraw/zinc/02/05/58/1224020558.db2.gz DFBOCCXLAVPCOS-CKEIUWERSA-N 2 2 365.478 0.178 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001215934305 1224025052 /nfs/dbraw/zinc/02/50/52/1224025052.db2.gz NKCMFPKHOXOOEA-NVXWUHKLSA-N 2 2 364.494 0.254 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001216061646 1224032150 /nfs/dbraw/zinc/03/21/50/1224032150.db2.gz MXZOUYKBVCLPFX-JHJVBQTASA-N 2 2 357.418 0.206 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216361831 1224046649 /nfs/dbraw/zinc/04/66/49/1224046649.db2.gz NAEKTHWTNFACJT-CZUORRHYSA-N 2 2 356.430 0.454 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(=O)N(C)C ZINC001216366868 1224046808 /nfs/dbraw/zinc/04/68/08/1224046808.db2.gz UJVUYEGFXYTQGC-CKEIUWERSA-N 2 2 370.457 0.794 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216401322 1224048500 /nfs/dbraw/zinc/04/85/00/1224048500.db2.gz JZPMXVXXSMOEFD-HZSPNIEDSA-N 2 2 369.466 0.292 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216804594 1224074134 /nfs/dbraw/zinc/07/41/34/1224074134.db2.gz IWLNAMLCZNLRNF-KBAYOESNSA-N 2 2 369.506 0.197 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859358 1224079548 /nfs/dbraw/zinc/07/95/48/1224079548.db2.gz OWSGKMMGIDCNGQ-QGPMSJSTSA-N 2 2 361.490 0.645 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993632 1224083172 /nfs/dbraw/zinc/08/31/72/1224083172.db2.gz MUYNVFJGFCOCJQ-BRWVUGGUSA-N 2 2 368.478 0.124 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993665 1224083788 /nfs/dbraw/zinc/08/37/88/1224083788.db2.gz OKLAWZIDRAKTOX-NVXWUHKLSA-N 2 2 365.478 0.253 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719188 1226171783 /nfs/dbraw/zinc/17/17/83/1226171783.db2.gz LBTBLTQHWOEKBX-YJBOKZPZSA-N 2 2 364.446 0.159 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719188 1226171786 /nfs/dbraw/zinc/17/17/86/1226171786.db2.gz LBTBLTQHWOEKBX-YJBOKZPZSA-N 2 2 364.446 0.159 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000978325607 1248728441 /nfs/dbraw/zinc/72/84/41/1248728441.db2.gz ROPCYQLOIIEUDT-HHARLNAUSA-N 2 2 371.485 0.820 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000978325607 1248728448 /nfs/dbraw/zinc/72/84/48/1248728448.db2.gz ROPCYQLOIIEUDT-HHARLNAUSA-N 2 2 371.485 0.820 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000978325607 1248728456 /nfs/dbraw/zinc/72/84/56/1248728456.db2.gz ROPCYQLOIIEUDT-HHARLNAUSA-N 2 2 371.485 0.820 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000978325607 1248728465 /nfs/dbraw/zinc/72/84/65/1248728465.db2.gz ROPCYQLOIIEUDT-HHARLNAUSA-N 2 2 371.485 0.820 20 0 FCADLP CCc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978343941 1248730081 /nfs/dbraw/zinc/73/00/81/1248730081.db2.gz YEAHMPLHNOBVAL-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CCc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978343941 1248730088 /nfs/dbraw/zinc/73/00/88/1248730088.db2.gz YEAHMPLHNOBVAL-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978343941 1248730091 /nfs/dbraw/zinc/73/00/91/1248730091.db2.gz YEAHMPLHNOBVAL-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CCc1noc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978343941 1248730098 /nfs/dbraw/zinc/73/00/98/1248730098.db2.gz YEAHMPLHNOBVAL-ARILJUKYSA-N 2 2 363.462 0.145 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978351638 1248731477 /nfs/dbraw/zinc/73/14/77/1248731477.db2.gz IMEYWLLUUKIRJA-OVYGPGRDSA-N 2 2 361.490 0.416 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978351638 1248731481 /nfs/dbraw/zinc/73/14/81/1248731481.db2.gz IMEYWLLUUKIRJA-OVYGPGRDSA-N 2 2 361.490 0.416 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978351638 1248731486 /nfs/dbraw/zinc/73/14/86/1248731486.db2.gz IMEYWLLUUKIRJA-OVYGPGRDSA-N 2 2 361.490 0.416 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978351638 1248731491 /nfs/dbraw/zinc/73/14/91/1248731491.db2.gz IMEYWLLUUKIRJA-OVYGPGRDSA-N 2 2 361.490 0.416 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000985344573 1248884786 /nfs/dbraw/zinc/88/47/86/1248884786.db2.gz GMGNLZBKPQFCBG-OWCLPIDISA-N 2 2 359.474 0.790 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986134620 1248982581 /nfs/dbraw/zinc/98/25/81/1248982581.db2.gz QCDAUXXEIKNYFD-PMPSAXMXSA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986134620 1248982593 /nfs/dbraw/zinc/98/25/93/1248982593.db2.gz QCDAUXXEIKNYFD-PMPSAXMXSA-N 2 2 359.474 0.519 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000987510213 1249064364 /nfs/dbraw/zinc/06/43/64/1249064364.db2.gz LYJPTEAWZKSHHY-COXVUDFISA-N 2 2 371.441 0.384 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000987510213 1249064372 /nfs/dbraw/zinc/06/43/72/1249064372.db2.gz LYJPTEAWZKSHHY-COXVUDFISA-N 2 2 371.441 0.384 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000988093431 1249338193 /nfs/dbraw/zinc/33/81/93/1249338193.db2.gz CGOHGMVGGDKYFZ-YESZJQIVSA-N 2 2 361.490 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000988093431 1249338205 /nfs/dbraw/zinc/33/82/05/1249338205.db2.gz CGOHGMVGGDKYFZ-YESZJQIVSA-N 2 2 361.490 0.920 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000993202804 1249375091 /nfs/dbraw/zinc/37/50/91/1249375091.db2.gz VMONULPXPKNAHK-HNAYVOBHSA-N 2 2 370.457 0.773 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1)C1CC1 ZINC000993314911 1249459372 /nfs/dbraw/zinc/45/93/72/1249459372.db2.gz BGXMCRUTCPQIOC-UCLAIMLFSA-N 2 2 359.474 0.599 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000993571161 1249711889 /nfs/dbraw/zinc/71/18/89/1249711889.db2.gz NQTZDQLGEKCERW-HZPDHXFCSA-N 2 2 352.398 0.812 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000993573540 1249717162 /nfs/dbraw/zinc/71/71/62/1249717162.db2.gz URGDBACTHXPCHC-HZPDHXFCSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000993585575 1249741395 /nfs/dbraw/zinc/74/13/95/1249741395.db2.gz CRUAAUUTDKMNPT-FVQBIDKESA-N 2 2 371.441 0.689 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000993585575 1249741411 /nfs/dbraw/zinc/74/14/11/1249741411.db2.gz CRUAAUUTDKMNPT-FVQBIDKESA-N 2 2 371.441 0.689 20 0 FCADLP CC(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000993589598 1249747354 /nfs/dbraw/zinc/74/73/54/1249747354.db2.gz XJEOLHKYZPRCFA-BZUAXINKSA-N 2 2 361.490 0.829 20 0 FCADLP CC(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000993589598 1249747365 /nfs/dbraw/zinc/74/73/65/1249747365.db2.gz XJEOLHKYZPRCFA-BZUAXINKSA-N 2 2 361.490 0.829 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993602554 1249782243 /nfs/dbraw/zinc/78/22/43/1249782243.db2.gz CMNCCNHWRAUZGT-WCKKIIIDSA-N 2 2 371.485 0.749 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993602554 1249782252 /nfs/dbraw/zinc/78/22/52/1249782252.db2.gz CMNCCNHWRAUZGT-WCKKIIIDSA-N 2 2 371.485 0.749 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C1=CCCC1 ZINC000993608878 1249804974 /nfs/dbraw/zinc/80/49/74/1249804974.db2.gz ZAZZMBXBLYCLDU-GVDBMIGSSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C1=CCCC1 ZINC000993608878 1249804992 /nfs/dbraw/zinc/80/49/92/1249804992.db2.gz ZAZZMBXBLYCLDU-GVDBMIGSSA-N 2 2 371.485 0.893 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC2)C1)[NH+](C)C ZINC000993609581 1249806658 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C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC1 ZINC001005517176 1253570307 /nfs/dbraw/zinc/57/03/07/1253570307.db2.gz JYYWENWMIQRJOL-OAGGEKHMSA-N 2 2 359.474 0.932 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001519642208 1265742134 /nfs/dbraw/zinc/74/21/34/1265742134.db2.gz OZBAYDMCPYGLIR-INIZCTEOSA-N 2 2 370.494 0.187 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001519642208 1265742141 /nfs/dbraw/zinc/74/21/41/1265742141.db2.gz OZBAYDMCPYGLIR-INIZCTEOSA-N 2 2 370.494 0.187 20 0 FCADLP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001008280090 1253747573 /nfs/dbraw/zinc/74/75/73/1253747573.db2.gz RXTXFEHOHIRQKP-IIAWOOMASA-N 2 2 371.485 0.962 20 0 FCADLP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001008280090 1253747582 /nfs/dbraw/zinc/74/75/82/1253747582.db2.gz RXTXFEHOHIRQKP-IIAWOOMASA-N 2 2 371.485 0.962 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022037095 1253761502 /nfs/dbraw/zinc/76/15/02/1253761502.db2.gz YOBJEBBDRKHUJH-YESZJQIVSA-N 2 2 357.458 0.284 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001026916710 1253848220 /nfs/dbraw/zinc/84/82/20/1253848220.db2.gz MQVRPYRQFKLMBA-QLFBSQMISA-N 2 2 364.494 0.585 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001026916710 1253848224 /nfs/dbraw/zinc/84/82/24/1253848224.db2.gz MQVRPYRQFKLMBA-QLFBSQMISA-N 2 2 364.494 0.585 20 0 FCADLP CC(C)n1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029740900 1253868373 /nfs/dbraw/zinc/86/83/73/1253868373.db2.gz CXLSDMQTSHGXGR-BZUAXINKSA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001029740900 1253868386 /nfs/dbraw/zinc/86/83/86/1253868386.db2.gz CXLSDMQTSHGXGR-BZUAXINKSA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029740900 1253868396 /nfs/dbraw/zinc/86/83/96/1253868396.db2.gz CXLSDMQTSHGXGR-BZUAXINKSA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029740900 1253868400 /nfs/dbraw/zinc/86/84/00/1253868400.db2.gz CXLSDMQTSHGXGR-BZUAXINKSA-N 2 2 363.510 0.875 20 0 FCADLP CCn1ccnc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766825 1253869517 /nfs/dbraw/zinc/86/95/17/1253869517.db2.gz HILGBQZHALYAMB-BRWVUGGUSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccnc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766825 1253869524 /nfs/dbraw/zinc/86/95/24/1253869524.db2.gz HILGBQZHALYAMB-BRWVUGGUSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766825 1253869532 /nfs/dbraw/zinc/86/95/32/1253869532.db2.gz HILGBQZHALYAMB-BRWVUGGUSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccnc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766825 1253869540 /nfs/dbraw/zinc/86/95/40/1253869540.db2.gz HILGBQZHALYAMB-BRWVUGGUSA-N 2 2 363.506 0.902 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766879 1253872600 /nfs/dbraw/zinc/87/26/00/1253872600.db2.gz IDWKITNDDODDBR-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766879 1253872605 /nfs/dbraw/zinc/87/26/05/1253872605.db2.gz IDWKITNDDODDBR-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1cnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766879 1253872613 /nfs/dbraw/zinc/87/26/13/1253872613.db2.gz IDWKITNDDODDBR-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1cnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001029766879 1253872616 /nfs/dbraw/zinc/87/26/16/1253872616.db2.gz IDWKITNDDODDBR-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001032473238 1253924690 /nfs/dbraw/zinc/92/46/90/1253924690.db2.gz GPLDRNZOXGWFLZ-SYAUCNOPSA-N 2 2 363.462 0.315 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001032473238 1253924702 /nfs/dbraw/zinc/92/47/02/1253924702.db2.gz GPLDRNZOXGWFLZ-SYAUCNOPSA-N 2 2 363.462 0.315 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001032473238 1253924704 /nfs/dbraw/zinc/92/47/04/1253924704.db2.gz GPLDRNZOXGWFLZ-SYAUCNOPSA-N 2 2 363.462 0.315 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001032473238 1253924713 /nfs/dbraw/zinc/92/47/13/1253924713.db2.gz GPLDRNZOXGWFLZ-SYAUCNOPSA-N 2 2 363.462 0.315 20 0 FCADLP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033185267 1253949457 /nfs/dbraw/zinc/94/94/57/1253949457.db2.gz MUQHWDTUTIKZOP-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033185267 1253949473 /nfs/dbraw/zinc/94/94/73/1253949473.db2.gz MUQHWDTUTIKZOP-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033185267 1253949485 /nfs/dbraw/zinc/94/94/85/1253949485.db2.gz MUQHWDTUTIKZOP-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033185267 1253949496 /nfs/dbraw/zinc/94/94/96/1253949496.db2.gz MUQHWDTUTIKZOP-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033907654 1253970404 /nfs/dbraw/zinc/97/04/04/1253970404.db2.gz DYUNPAMXSLUGPC-KSZLIROESA-N 2 2 369.506 0.171 20 0 FCADLP CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033907654 1253970415 /nfs/dbraw/zinc/97/04/15/1253970415.db2.gz DYUNPAMXSLUGPC-KSZLIROESA-N 2 2 369.506 0.171 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274906 1253986573 /nfs/dbraw/zinc/98/65/73/1253986573.db2.gz VOJMQSXYPFSELJ-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274906 1253986584 /nfs/dbraw/zinc/98/65/84/1253986584.db2.gz VOJMQSXYPFSELJ-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274906 1253986594 /nfs/dbraw/zinc/98/65/94/1253986594.db2.gz VOJMQSXYPFSELJ-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034274906 1253986606 /nfs/dbraw/zinc/98/66/06/1253986606.db2.gz VOJMQSXYPFSELJ-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001034975560 1254014115 /nfs/dbraw/zinc/01/41/15/1254014115.db2.gz TZNPXUKBGZTGHL-FRFSOERESA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001034975560 1254014124 /nfs/dbraw/zinc/01/41/24/1254014124.db2.gz TZNPXUKBGZTGHL-FRFSOERESA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001061012935 1254151130 /nfs/dbraw/zinc/15/11/30/1254151130.db2.gz NSKVFIUVRPKECS-BPLDGKMQSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001061012935 1254151133 /nfs/dbraw/zinc/15/11/33/1254151133.db2.gz NSKVFIUVRPKECS-BPLDGKMQSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001061012936 1254151346 /nfs/dbraw/zinc/15/13/46/1254151346.db2.gz NSKVFIUVRPKECS-VHDGCEQUSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001061012936 1254151349 /nfs/dbraw/zinc/15/13/49/1254151349.db2.gz NSKVFIUVRPKECS-VHDGCEQUSA-N 2 2 361.494 0.847 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001062186951 1254246488 /nfs/dbraw/zinc/24/64/88/1254246488.db2.gz RDIZKYGKRQCQIP-RBSFLKMASA-N 2 2 371.489 0.988 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001062186951 1254246494 /nfs/dbraw/zinc/24/64/94/1254246494.db2.gz RDIZKYGKRQCQIP-RBSFLKMASA-N 2 2 371.489 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)Cc3c[nH+]cn3C)CCC2)CC[N@@H+]1C ZINC001063726940 1254382701 /nfs/dbraw/zinc/38/27/01/1254382701.db2.gz PMJUAQGOYLXXSZ-JKSUJKDBSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)Cc3c[nH+]cn3C)CCC2)CC[N@H+]1C ZINC001063726940 1254382711 /nfs/dbraw/zinc/38/27/11/1254382711.db2.gz PMJUAQGOYLXXSZ-JKSUJKDBSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001065712868 1254582343 /nfs/dbraw/zinc/58/23/43/1254582343.db2.gz GYECUVFOVBMAIJ-RYRKJORJSA-N 2 2 366.506 0.108 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075962624 1254657887 /nfs/dbraw/zinc/65/78/87/1254657887.db2.gz OLNRGEQSUYVIQT-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075962624 1254657896 /nfs/dbraw/zinc/65/78/96/1254657896.db2.gz OLNRGEQSUYVIQT-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077565289 1254695439 /nfs/dbraw/zinc/69/54/39/1254695439.db2.gz BFORUDFHRAKBFL-MZTNWIODSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077565289 1254695447 /nfs/dbraw/zinc/69/54/47/1254695447.db2.gz BFORUDFHRAKBFL-MZTNWIODSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077565289 1254695461 /nfs/dbraw/zinc/69/54/61/1254695461.db2.gz BFORUDFHRAKBFL-MZTNWIODSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077565289 1254695472 /nfs/dbraw/zinc/69/54/72/1254695472.db2.gz BFORUDFHRAKBFL-MZTNWIODSA-N 2 2 364.490 0.937 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566741 1254702462 /nfs/dbraw/zinc/70/24/62/1254702462.db2.gz MNRSAVIMULRXJA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566741 1254702478 /nfs/dbraw/zinc/70/24/78/1254702478.db2.gz MNRSAVIMULRXJA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566741 1254702491 /nfs/dbraw/zinc/70/24/91/1254702491.db2.gz MNRSAVIMULRXJA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566741 1254702508 /nfs/dbraw/zinc/70/25/08/1254702508.db2.gz MNRSAVIMULRXJA-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC1 ZINC001077618290 1254782206 /nfs/dbraw/zinc/78/22/06/1254782206.db2.gz FPHGSXRDWXQVLO-IAGOWNOFSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC1 ZINC001077618290 1254782224 /nfs/dbraw/zinc/78/22/24/1254782224.db2.gz FPHGSXRDWXQVLO-IAGOWNOFSA-N 2 2 363.506 0.641 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679171 1254863104 /nfs/dbraw/zinc/86/31/04/1254863104.db2.gz IYTJVNCARZWRAG-JCURWCKSSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679171 1254863111 /nfs/dbraw/zinc/86/31/11/1254863111.db2.gz IYTJVNCARZWRAG-JCURWCKSSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679171 1254863124 /nfs/dbraw/zinc/86/31/24/1254863124.db2.gz IYTJVNCARZWRAG-JCURWCKSSA-N 2 2 359.430 0.226 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]2O)C1 ZINC001077679171 1254863137 /nfs/dbraw/zinc/86/31/37/1254863137.db2.gz IYTJVNCARZWRAG-JCURWCKSSA-N 2 2 359.430 0.226 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@H]1O)C2 ZINC001077682702 1254873234 /nfs/dbraw/zinc/87/32/34/1254873234.db2.gz GBEZLQHZQVHOHR-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@H]1O)C2 ZINC001077682702 1254873244 /nfs/dbraw/zinc/87/32/44/1254873244.db2.gz GBEZLQHZQVHOHR-KFKAGJAMSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001077697841 1254900076 /nfs/dbraw/zinc/90/00/76/1254900076.db2.gz CJCWOFXNNGHNLY-YFHUEUNASA-N 2 2 372.473 0.198 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001077697841 1254900088 /nfs/dbraw/zinc/90/00/88/1254900088.db2.gz CJCWOFXNNGHNLY-YFHUEUNASA-N 2 2 372.473 0.198 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006337 1255161235 /nfs/dbraw/zinc/16/12/35/1255161235.db2.gz ZWQHTGCITOSUIH-FSPWUOQZSA-N 2 2 365.449 0.321 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006337 1255161241 /nfs/dbraw/zinc/16/12/41/1255161241.db2.gz ZWQHTGCITOSUIH-FSPWUOQZSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006337 1255161245 /nfs/dbraw/zinc/16/12/45/1255161245.db2.gz ZWQHTGCITOSUIH-FSPWUOQZSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006337 1255161249 /nfs/dbraw/zinc/16/12/49/1255161249.db2.gz ZWQHTGCITOSUIH-FSPWUOQZSA-N 2 2 365.449 0.321 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001078005540 1255162013 /nfs/dbraw/zinc/16/20/13/1255162013.db2.gz DIQJXHMRTHRUII-BZUAXINKSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001078005540 1255162014 /nfs/dbraw/zinc/16/20/14/1255162014.db2.gz DIQJXHMRTHRUII-BZUAXINKSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001078005540 1255162016 /nfs/dbraw/zinc/16/20/16/1255162016.db2.gz DIQJXHMRTHRUII-BZUAXINKSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001078005540 1255162018 /nfs/dbraw/zinc/16/20/18/1255162018.db2.gz DIQJXHMRTHRUII-BZUAXINKSA-N 2 2 364.490 0.939 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078018222 1255174751 /nfs/dbraw/zinc/17/47/51/1255174751.db2.gz UCKBWZRDSFXFDE-IEBWSBKVSA-N 2 2 370.453 0.615 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078018222 1255174753 /nfs/dbraw/zinc/17/47/53/1255174753.db2.gz UCKBWZRDSFXFDE-IEBWSBKVSA-N 2 2 370.453 0.615 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cc1 ZINC001078083147 1255216105 /nfs/dbraw/zinc/21/61/05/1255216105.db2.gz JQBPFSVUAROAKT-QZTJIDSGSA-N 2 2 358.442 0.673 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cc1 ZINC001078083147 1255216114 /nfs/dbraw/zinc/21/61/14/1255216114.db2.gz JQBPFSVUAROAKT-QZTJIDSGSA-N 2 2 358.442 0.673 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)c1ccccc1 ZINC001078183548 1255297351 /nfs/dbraw/zinc/29/73/51/1255297351.db2.gz WXGZCMAFRRYIFM-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1)c1ccccc1 ZINC001078183548 1255297357 /nfs/dbraw/zinc/29/73/57/1255297357.db2.gz WXGZCMAFRRYIFM-KZNAEPCWSA-N 2 2 358.442 0.741 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001078183370 1255298460 /nfs/dbraw/zinc/29/84/60/1255298460.db2.gz NSMCTKGDCWMKBM-QZTJIDSGSA-N 2 2 371.441 0.511 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001078183370 1255298465 /nfs/dbraw/zinc/29/84/65/1255298465.db2.gz NSMCTKGDCWMKBM-QZTJIDSGSA-N 2 2 371.441 0.511 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001079212021 1255472875 /nfs/dbraw/zinc/47/28/75/1255472875.db2.gz FTCZQLIPNQMMSB-GVDBMIGSSA-N 2 2 371.416 0.495 20 0 FCADLP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254588 1255488688 /nfs/dbraw/zinc/48/86/88/1255488688.db2.gz KBZNHOFLLGMPSF-IXDOHACOSA-N 2 2 362.474 0.593 20 0 FCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)C1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079696298 1255577006 /nfs/dbraw/zinc/57/70/06/1255577006.db2.gz LJEBWCKUFONKGP-UKRRQHHQSA-N 2 2 363.462 0.121 20 0 FCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)C1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079696298 1255577012 /nfs/dbraw/zinc/57/70/12/1255577012.db2.gz LJEBWCKUFONKGP-UKRRQHHQSA-N 2 2 363.462 0.121 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cn1 ZINC001079717429 1255585657 /nfs/dbraw/zinc/58/56/57/1255585657.db2.gz IHSAZPRREQDFTF-RDTXWAMCSA-N 2 2 371.489 0.793 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cn1 ZINC001079717429 1255585661 /nfs/dbraw/zinc/58/56/61/1255585661.db2.gz IHSAZPRREQDFTF-RDTXWAMCSA-N 2 2 371.489 0.793 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001079846696 1255632355 /nfs/dbraw/zinc/63/23/55/1255632355.db2.gz YUZCAEPAAAMMJH-BZUAXINKSA-N 2 2 359.474 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001079846696 1255632359 /nfs/dbraw/zinc/63/23/59/1255632359.db2.gz YUZCAEPAAAMMJH-BZUAXINKSA-N 2 2 359.474 0.819 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951318 1255678838 /nfs/dbraw/zinc/67/88/38/1255678838.db2.gz GWUYTKTVZKQDGH-DTTOXWODSA-N 2 2 374.485 0.441 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951318 1255678846 /nfs/dbraw/zinc/67/88/46/1255678846.db2.gz GWUYTKTVZKQDGH-DTTOXWODSA-N 2 2 374.485 0.441 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951318 1255678854 /nfs/dbraw/zinc/67/88/54/1255678854.db2.gz GWUYTKTVZKQDGH-DTTOXWODSA-N 2 2 374.485 0.441 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951318 1255678860 /nfs/dbraw/zinc/67/88/60/1255678860.db2.gz GWUYTKTVZKQDGH-DTTOXWODSA-N 2 2 374.485 0.441 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962410 1255683287 /nfs/dbraw/zinc/68/32/87/1255683287.db2.gz HPWVBRDHHOIZDV-CXAGYDPISA-N 2 2 371.441 0.472 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962410 1255683292 /nfs/dbraw/zinc/68/32/92/1255683292.db2.gz HPWVBRDHHOIZDV-CXAGYDPISA-N 2 2 371.441 0.472 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079981938 1255691511 /nfs/dbraw/zinc/69/15/11/1255691511.db2.gz HURUPFNVTQKUBO-JKIFEVAISA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079981938 1255691518 /nfs/dbraw/zinc/69/15/18/1255691518.db2.gz HURUPFNVTQKUBO-JKIFEVAISA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991404 1255696345 /nfs/dbraw/zinc/69/63/45/1255696345.db2.gz GYWQDCDWWLFSNC-RVKKMQEKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991404 1255696351 /nfs/dbraw/zinc/69/63/51/1255696351.db2.gz GYWQDCDWWLFSNC-RVKKMQEKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991643 1255696751 /nfs/dbraw/zinc/69/67/51/1255696751.db2.gz OGFJADVDJJSYEU-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991643 1255696756 /nfs/dbraw/zinc/69/67/56/1255696756.db2.gz OGFJADVDJJSYEU-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991804 1255697727 /nfs/dbraw/zinc/69/77/27/1255697727.db2.gz SMSDFQHANRTDBG-HYVNUMGLSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991804 1255697728 /nfs/dbraw/zinc/69/77/28/1255697728.db2.gz SMSDFQHANRTDBG-HYVNUMGLSA-N 2 2 369.469 0.781 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164634 1255767461 /nfs/dbraw/zinc/76/74/61/1255767461.db2.gz KPGYZSQTTBTKGR-WOKQFXJHSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164634 1255767469 /nfs/dbraw/zinc/76/74/69/1255767469.db2.gz KPGYZSQTTBTKGR-WOKQFXJHSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164634 1255767474 /nfs/dbraw/zinc/76/74/74/1255767474.db2.gz KPGYZSQTTBTKGR-WOKQFXJHSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)o1 ZINC001080164634 1255767483 /nfs/dbraw/zinc/76/74/83/1255767483.db2.gz KPGYZSQTTBTKGR-WOKQFXJHSA-N 2 2 360.458 0.783 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164746 1255768432 /nfs/dbraw/zinc/76/84/32/1255768432.db2.gz RAUGPJMCBLEYSR-PWRQTXRISA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164746 1255768437 /nfs/dbraw/zinc/76/84/37/1255768437.db2.gz RAUGPJMCBLEYSR-PWRQTXRISA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164746 1255768442 /nfs/dbraw/zinc/76/84/42/1255768442.db2.gz RAUGPJMCBLEYSR-PWRQTXRISA-N 2 2 359.474 0.220 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccn(C)n2)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164746 1255768448 /nfs/dbraw/zinc/76/84/48/1255768448.db2.gz RAUGPJMCBLEYSR-PWRQTXRISA-N 2 2 359.474 0.220 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001080383551 1255867340 /nfs/dbraw/zinc/86/73/40/1255867340.db2.gz JQSWKCZPAXZRMN-CZUORRHYSA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001080383551 1255867349 /nfs/dbraw/zinc/86/73/49/1255867349.db2.gz JQSWKCZPAXZRMN-CZUORRHYSA-N 2 2 363.458 0.927 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001080419353 1255876888 /nfs/dbraw/zinc/87/68/88/1255876888.db2.gz TZAWHNVFYBIFFN-VNHYZAJKSA-N 2 2 360.462 0.291 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001080419353 1255876894 /nfs/dbraw/zinc/87/68/94/1255876894.db2.gz TZAWHNVFYBIFFN-VNHYZAJKSA-N 2 2 360.462 0.291 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979110 1256122941 /nfs/dbraw/zinc/12/29/41/1256122941.db2.gz CBSOLUIIRMFOLV-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979110 1256122946 /nfs/dbraw/zinc/12/29/46/1256122946.db2.gz CBSOLUIIRMFOLV-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979110 1256122952 /nfs/dbraw/zinc/12/29/52/1256122952.db2.gz CBSOLUIIRMFOLV-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]2C)C1 ZINC001080979110 1256122960 /nfs/dbraw/zinc/12/29/60/1256122960.db2.gz CBSOLUIIRMFOLV-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037021 1256156983 /nfs/dbraw/zinc/15/69/83/1256156983.db2.gz OIJBREQCJBVEDK-IUODEOHRSA-N 2 2 356.430 0.893 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037021 1256156984 /nfs/dbraw/zinc/15/69/84/1256156984.db2.gz OIJBREQCJBVEDK-IUODEOHRSA-N 2 2 356.430 0.893 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1)C(N)=O ZINC001081152086 1256192396 /nfs/dbraw/zinc/19/23/96/1256192396.db2.gz ZOADSXOWVPNVNP-HYVNUMGLSA-N 2 2 369.469 0.811 20 0 FCADLP CN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2c2ccccc2)C1=O ZINC001081205815 1256206221 /nfs/dbraw/zinc/20/62/21/1256206221.db2.gz ZHKMLPOYTLSHRJ-YESZJQIVSA-N 2 2 367.453 0.767 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446342 1256260142 /nfs/dbraw/zinc/26/01/42/1256260142.db2.gz WZURJMUHKQDJMG-IXDOHACOSA-N 2 2 359.430 0.632 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446342 1256260146 /nfs/dbraw/zinc/26/01/46/1256260146.db2.gz WZURJMUHKQDJMG-IXDOHACOSA-N 2 2 359.430 0.632 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081446342 1256260152 /nfs/dbraw/zinc/26/01/52/1256260152.db2.gz WZURJMUHKQDJMG-IXDOHACOSA-N 2 2 359.430 0.632 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081446342 1256260156 /nfs/dbraw/zinc/26/01/56/1256260156.db2.gz WZURJMUHKQDJMG-IXDOHACOSA-N 2 2 359.430 0.632 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481468 1256270140 /nfs/dbraw/zinc/27/01/40/1256270140.db2.gz JMKQLSGWXAYIGZ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481468 1256270145 /nfs/dbraw/zinc/27/01/45/1256270145.db2.gz JMKQLSGWXAYIGZ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481468 1256270156 /nfs/dbraw/zinc/27/01/56/1256270156.db2.gz JMKQLSGWXAYIGZ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481468 1256270161 /nfs/dbraw/zinc/27/01/61/1256270161.db2.gz JMKQLSGWXAYIGZ-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081658968 1256323633 /nfs/dbraw/zinc/32/36/33/1256323633.db2.gz HMUVXIXXGCTXJC-KZNAEPCWSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001081658968 1256323637 /nfs/dbraw/zinc/32/36/37/1256323637.db2.gz HMUVXIXXGCTXJC-KZNAEPCWSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001081658968 1256323640 /nfs/dbraw/zinc/32/36/40/1256323640.db2.gz HMUVXIXXGCTXJC-KZNAEPCWSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001081658968 1256323643 /nfs/dbraw/zinc/32/36/43/1256323643.db2.gz HMUVXIXXGCTXJC-KZNAEPCWSA-N 2 2 363.506 0.917 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672669 1256328950 /nfs/dbraw/zinc/32/89/50/1256328950.db2.gz FBRMRGLYDBIXDS-RCCFBDPRSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081672669 1256328957 /nfs/dbraw/zinc/32/89/57/1256328957.db2.gz FBRMRGLYDBIXDS-RCCFBDPRSA-N 2 2 359.474 0.442 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081843247 1256407365 /nfs/dbraw/zinc/40/73/65/1256407365.db2.gz RFITVRBBGRLMPU-IAGOWNOFSA-N 2 2 361.490 0.612 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001081843247 1256407368 /nfs/dbraw/zinc/40/73/68/1256407368.db2.gz RFITVRBBGRLMPU-IAGOWNOFSA-N 2 2 361.490 0.612 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001081870795 1256422920 /nfs/dbraw/zinc/42/29/20/1256422920.db2.gz MXWCXGYTSACBEN-ZTFGCOKTSA-N 2 2 362.474 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001081870795 1256422922 /nfs/dbraw/zinc/42/29/22/1256422922.db2.gz MXWCXGYTSACBEN-ZTFGCOKTSA-N 2 2 362.474 0.830 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948321 1256467587 /nfs/dbraw/zinc/46/75/87/1256467587.db2.gz UKXKOZHZIUYVKL-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001081948321 1256467590 /nfs/dbraw/zinc/46/75/90/1256467590.db2.gz UKXKOZHZIUYVKL-BRWVUGGUSA-N 2 2 371.441 0.384 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052533 1256511528 /nfs/dbraw/zinc/51/15/28/1256511528.db2.gz FTJPKSAMFBGFFU-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052533 1256511530 /nfs/dbraw/zinc/51/15/30/1256511530.db2.gz FTJPKSAMFBGFFU-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052533 1256511532 /nfs/dbraw/zinc/51/15/32/1256511532.db2.gz FTJPKSAMFBGFFU-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncn3C)C[C@H]2OC)C1 ZINC001082052533 1256511534 /nfs/dbraw/zinc/51/15/34/1256511534.db2.gz FTJPKSAMFBGFFU-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]2OC)C1 ZINC001082052533 1256511536 /nfs/dbraw/zinc/51/15/36/1256511536.db2.gz FTJPKSAMFBGFFU-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]2OC)C1 ZINC001082052533 1256511537 /nfs/dbraw/zinc/51/15/37/1256511537.db2.gz FTJPKSAMFBGFFU-CGTJXYLNSA-N 2 2 363.506 0.858 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137814 1256554799 /nfs/dbraw/zinc/55/47/99/1256554799.db2.gz BLINJLUQSGMUPD-IAGOWNOFSA-N 2 2 363.506 0.776 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137814 1256554801 /nfs/dbraw/zinc/55/48/01/1256554801.db2.gz BLINJLUQSGMUPD-IAGOWNOFSA-N 2 2 363.506 0.776 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137814 1256554806 /nfs/dbraw/zinc/55/48/06/1256554806.db2.gz BLINJLUQSGMUPD-IAGOWNOFSA-N 2 2 363.506 0.776 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137814 1256554810 /nfs/dbraw/zinc/55/48/10/1256554810.db2.gz BLINJLUQSGMUPD-IAGOWNOFSA-N 2 2 363.506 0.776 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138243 1256554845 /nfs/dbraw/zinc/55/48/45/1256554845.db2.gz VHBQNHSZHWFZKQ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138243 1256554850 /nfs/dbraw/zinc/55/48/50/1256554850.db2.gz VHBQNHSZHWFZKQ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138243 1256554852 /nfs/dbraw/zinc/55/48/52/1256554852.db2.gz VHBQNHSZHWFZKQ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@H](OC)C2)C1=O ZINC001082138243 1256554855 /nfs/dbraw/zinc/55/48/55/1256554855.db2.gz VHBQNHSZHWFZKQ-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279063 1256628808 /nfs/dbraw/zinc/62/88/08/1256628808.db2.gz LFLQWGGNCVJCKB-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279063 1256628817 /nfs/dbraw/zinc/62/88/17/1256628817.db2.gz LFLQWGGNCVJCKB-IAOVAPTHSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001082323255 1256661130 /nfs/dbraw/zinc/66/11/30/1256661130.db2.gz LRQLXNPJFBTGNI-BMGDILEWSA-N 2 2 371.441 0.733 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001082323255 1256661135 /nfs/dbraw/zinc/66/11/35/1256661135.db2.gz LRQLXNPJFBTGNI-BMGDILEWSA-N 2 2 371.441 0.733 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982038 1266055513 /nfs/dbraw/zinc/05/55/13/1266055513.db2.gz PMBMAPSILCINSI-YZGWKJHDSA-N 2 2 372.513 0.434 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001520982038 1266055522 /nfs/dbraw/zinc/05/55/22/1266055522.db2.gz PMBMAPSILCINSI-YZGWKJHDSA-N 2 2 372.513 0.434 20 0 FCADLP CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327048 1256668316 /nfs/dbraw/zinc/66/83/16/1256668316.db2.gz ACJGLXOUKBXEAC-QZTJIDSGSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327048 1256668324 /nfs/dbraw/zinc/66/83/24/1256668324.db2.gz ACJGLXOUKBXEAC-QZTJIDSGSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001082329995 1256671981 /nfs/dbraw/zinc/67/19/81/1256671981.db2.gz WUKXFMRVWVTMKO-XNRPHZJLSA-N 2 2 363.462 0.053 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001082329995 1256671986 /nfs/dbraw/zinc/67/19/86/1256671986.db2.gz WUKXFMRVWVTMKO-XNRPHZJLSA-N 2 2 363.462 0.053 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)cn1 ZINC001082371655 1256720951 /nfs/dbraw/zinc/72/09/51/1256720951.db2.gz UMKJDCYSEPFPKM-IAGOWNOFSA-N 2 2 360.462 0.466 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](OC)C2)cn1 ZINC001082371655 1256720958 /nfs/dbraw/zinc/72/09/58/1256720958.db2.gz UMKJDCYSEPFPKM-IAGOWNOFSA-N 2 2 360.462 0.466 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1C ZINC001082458313 1256770148 /nfs/dbraw/zinc/77/01/48/1256770148.db2.gz HRTPOECUMZSLQS-RBSFLKMASA-N 2 2 364.494 0.206 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1C ZINC001082458313 1256770154 /nfs/dbraw/zinc/77/01/54/1256770154.db2.gz HRTPOECUMZSLQS-RBSFLKMASA-N 2 2 364.494 0.206 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1C ZINC001082458312 1256770602 /nfs/dbraw/zinc/77/06/02/1256770602.db2.gz HRTPOECUMZSLQS-KFWWJZLASA-N 2 2 364.494 0.206 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1C ZINC001082458312 1256770608 /nfs/dbraw/zinc/77/06/08/1256770608.db2.gz HRTPOECUMZSLQS-KFWWJZLASA-N 2 2 364.494 0.206 20 0 FCADLP COc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c(C)n1 ZINC001082458474 1256770940 /nfs/dbraw/zinc/77/09/40/1256770940.db2.gz QJFRCLSLPZNXGY-DAXOMENPSA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c(C)n1 ZINC001082458474 1256770944 /nfs/dbraw/zinc/77/09/44/1256770944.db2.gz QJFRCLSLPZNXGY-DAXOMENPSA-N 2 2 363.462 0.061 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001082601248 1256912045 /nfs/dbraw/zinc/91/20/45/1256912045.db2.gz RUXSKZBXPSIIHN-MZMPZRCHSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082601027 1256912322 /nfs/dbraw/zinc/91/23/22/1256912322.db2.gz JKSFZUZGOHDEIC-UWWQBHOKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082602929 1256913733 /nfs/dbraw/zinc/91/37/33/1256913733.db2.gz BGQDGSQDZFKZHI-BFYDXBDKSA-N 2 2 356.474 0.858 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001082604248 1256914368 /nfs/dbraw/zinc/91/43/68/1256914368.db2.gz JEJLFBNRONILDO-CKEIUWERSA-N 2 2 370.457 0.881 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cn(C)nn3)C1)C2 ZINC001082743039 1257024262 /nfs/dbraw/zinc/02/42/62/1257024262.db2.gz DDCOJPRBVGWLFK-HACGYAERSA-N 2 2 357.462 0.519 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082783556 1257047612 /nfs/dbraw/zinc/04/76/12/1257047612.db2.gz AOFKWXKODGHGIS-UKRRQHHQSA-N 2 2 365.478 0.884 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082783072 1257048619 /nfs/dbraw/zinc/04/86/19/1257048619.db2.gz YWHIERFJEJWKKP-KFWWJZLASA-N 2 2 364.494 0.308 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001082783072 1257048628 /nfs/dbraw/zinc/04/86/28/1257048628.db2.gz YWHIERFJEJWKKP-KFWWJZLASA-N 2 2 364.494 0.308 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082856602 1257106520 /nfs/dbraw/zinc/10/65/20/1257106520.db2.gz WQOCZOCZHWDRDQ-RHSMWYFYSA-N 2 2 366.429 0.609 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001082884420 1257122774 /nfs/dbraw/zinc/12/27/74/1257122774.db2.gz SNDRRGPUMFTNFA-ISTRZQFTSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC001082884959 1257123291 /nfs/dbraw/zinc/12/32/91/1257123291.db2.gz VBZFDLRZEQHQRO-IUODEOHRSA-N 2 2 357.462 0.825 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001082893122 1257128995 /nfs/dbraw/zinc/12/89/95/1257128995.db2.gz NJNYVVKIJQUJEV-CZUORRHYSA-N 2 2 358.446 0.788 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2nnnn2C2CC2)C1 ZINC001082922011 1257145479 /nfs/dbraw/zinc/14/54/79/1257145479.db2.gz CODNAXPYENHTPE-TYNCELHUSA-N 2 2 358.450 0.711 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)on1 ZINC001082923372 1257146132 /nfs/dbraw/zinc/14/61/32/1257146132.db2.gz GVPBSUZTZFAGKK-IIAWOOMASA-N 2 2 366.462 0.588 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)n1 ZINC001083024721 1257214149 /nfs/dbraw/zinc/21/41/49/1257214149.db2.gz XEQQZBMPKCOKSP-OWCLPIDISA-N 2 2 363.462 0.316 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)n1 ZINC001083024721 1257214153 /nfs/dbraw/zinc/21/41/53/1257214153.db2.gz XEQQZBMPKCOKSP-OWCLPIDISA-N 2 2 363.462 0.316 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024721 1257214157 /nfs/dbraw/zinc/21/41/57/1257214157.db2.gz XEQQZBMPKCOKSP-OWCLPIDISA-N 2 2 363.462 0.316 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)n1 ZINC001083024721 1257214162 /nfs/dbraw/zinc/21/41/62/1257214162.db2.gz XEQQZBMPKCOKSP-OWCLPIDISA-N 2 2 363.462 0.316 20 0 FCADLP Cc1ccccc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083034526 1257227439 /nfs/dbraw/zinc/22/74/39/1257227439.db2.gz FRIUOPMKJNVRMS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccccc1C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083034526 1257227442 /nfs/dbraw/zinc/22/74/42/1257227442.db2.gz FRIUOPMKJNVRMS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccccc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034526 1257227451 /nfs/dbraw/zinc/22/74/51/1257227451.db2.gz FRIUOPMKJNVRMS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccccc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034526 1257227455 /nfs/dbraw/zinc/22/74/55/1257227455.db2.gz FRIUOPMKJNVRMS-OTWHNJEPSA-N 2 2 359.470 0.737 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035092 1257228341 /nfs/dbraw/zinc/22/83/41/1257228341.db2.gz DPHBWLRTXAGJNN-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035092 1257228346 /nfs/dbraw/zinc/22/83/46/1257228346.db2.gz DPHBWLRTXAGJNN-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035092 1257228352 /nfs/dbraw/zinc/22/83/52/1257228352.db2.gz DPHBWLRTXAGJNN-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCOCC4)C[C@@H]32)C1 ZINC001083035092 1257228357 /nfs/dbraw/zinc/22/83/57/1257228357.db2.gz DPHBWLRTXAGJNN-KSZLIROESA-N 2 2 367.490 0.045 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)ncn1 ZINC001083085929 1257287843 /nfs/dbraw/zinc/28/78/43/1257287843.db2.gz UOFCLKBRIRHOIX-NRSFXHEJSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)ncn1 ZINC001083085929 1257287846 /nfs/dbraw/zinc/28/78/46/1257287846.db2.gz UOFCLKBRIRHOIX-NRSFXHEJSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)ncn1 ZINC001083085929 1257287850 /nfs/dbraw/zinc/28/78/50/1257287850.db2.gz UOFCLKBRIRHOIX-NRSFXHEJSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)ncn1 ZINC001083085929 1257287853 /nfs/dbraw/zinc/28/78/53/1257287853.db2.gz UOFCLKBRIRHOIX-NRSFXHEJSA-N 2 2 359.474 0.537 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110669 1257335274 /nfs/dbraw/zinc/33/52/74/1257335274.db2.gz OHWBFSKDAPBEMP-RYQLBKOJSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110669 1257335281 /nfs/dbraw/zinc/33/52/81/1257335281.db2.gz OHWBFSKDAPBEMP-RYQLBKOJSA-N 2 2 361.490 0.706 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001330830878 1266106939 /nfs/dbraw/zinc/10/69/39/1266106939.db2.gz HFKPOKUMNWXRPB-SJORKVTESA-N 2 2 358.486 0.960 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286708 1266108042 /nfs/dbraw/zinc/10/80/42/1266108042.db2.gz NNUROIWQADXYAO-PKOBYXMFSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[N@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286708 1266108047 /nfs/dbraw/zinc/10/80/47/1266108047.db2.gz NNUROIWQADXYAO-PKOBYXMFSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286708 1266108049 /nfs/dbraw/zinc/10/80/49/1266108049.db2.gz NNUROIWQADXYAO-PKOBYXMFSA-N 2 2 363.550 0.392 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3C[N@H+]4CCN3C[C@@H]4C)CC2)CC1 ZINC001521286708 1266108051 /nfs/dbraw/zinc/10/80/51/1266108051.db2.gz NNUROIWQADXYAO-PKOBYXMFSA-N 2 2 363.550 0.392 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c[nH+]1 ZINC001330876683 1266110667 /nfs/dbraw/zinc/11/06/67/1266110667.db2.gz NDLULTZDXKDAOK-JKSUJKDBSA-N 2 2 374.489 0.673 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083144195 1257398863 /nfs/dbraw/zinc/39/88/63/1257398863.db2.gz UDBZQCMRLNCFCP-YESZJQIVSA-N 2 2 362.474 0.918 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]21 ZINC001083144195 1257398869 /nfs/dbraw/zinc/39/88/69/1257398869.db2.gz UDBZQCMRLNCFCP-YESZJQIVSA-N 2 2 362.474 0.918 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144410 1257399261 /nfs/dbraw/zinc/39/92/61/1257399261.db2.gz FSQJHGOQLZQRDY-HRCADAONSA-N 2 2 357.414 0.123 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144410 1257399270 /nfs/dbraw/zinc/39/92/70/1257399270.db2.gz FSQJHGOQLZQRDY-HRCADAONSA-N 2 2 357.414 0.123 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144698 1257399422 /nfs/dbraw/zinc/39/94/22/1257399422.db2.gz UUJLIQAXIPKELY-RRQGHBQHSA-N 2 2 371.441 0.336 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144698 1257399430 /nfs/dbraw/zinc/39/94/30/1257399430.db2.gz UUJLIQAXIPKELY-RRQGHBQHSA-N 2 2 371.441 0.336 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083151599 1257407205 /nfs/dbraw/zinc/40/72/05/1257407205.db2.gz HWHHUHVSDGDMLT-YESZJQIVSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]21 ZINC001083151599 1257407209 /nfs/dbraw/zinc/40/72/09/1257407209.db2.gz HWHHUHVSDGDMLT-YESZJQIVSA-N 2 2 362.474 0.833 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083645097 1257462549 /nfs/dbraw/zinc/46/25/49/1257462549.db2.gz KXHVTVRHSCGOOO-SJORKVTESA-N 2 2 354.414 0.351 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083645097 1257462551 /nfs/dbraw/zinc/46/25/51/1257462551.db2.gz KXHVTVRHSCGOOO-SJORKVTESA-N 2 2 354.414 0.351 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)c1ccccc1 ZINC001083645232 1257463892 /nfs/dbraw/zinc/46/38/92/1257463892.db2.gz QSJNUBFPLLNZFV-SQNIBIBYSA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1)c1ccccc1 ZINC001083645232 1257463896 /nfs/dbraw/zinc/46/38/96/1257463896.db2.gz QSJNUBFPLLNZFV-SQNIBIBYSA-N 2 2 358.442 0.741 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781820 1257526842 /nfs/dbraw/zinc/52/68/42/1257526842.db2.gz WSIIPZXOMBEKSD-VKJFTORMSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781820 1257526847 /nfs/dbraw/zinc/52/68/47/1257526847.db2.gz WSIIPZXOMBEKSD-VKJFTORMSA-N 2 2 367.469 0.294 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)n1 ZINC001083887796 1257660321 /nfs/dbraw/zinc/66/03/21/1257660321.db2.gz LRAJOXRPANGRCP-CVEARBPZSA-N 2 2 365.478 0.204 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)n1 ZINC001083887796 1257660325 /nfs/dbraw/zinc/66/03/25/1257660325.db2.gz LRAJOXRPANGRCP-CVEARBPZSA-N 2 2 365.478 0.204 20 0 FCADLP Cn1nccc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937046 1257723552 /nfs/dbraw/zinc/72/35/52/1257723552.db2.gz JYEDESPTDVTZPO-MSOLQXFVSA-N 2 2 361.490 0.203 20 0 FCADLP Cn1nccc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937046 1257723556 /nfs/dbraw/zinc/72/35/56/1257723556.db2.gz JYEDESPTDVTZPO-MSOLQXFVSA-N 2 2 361.490 0.203 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)c1ccccc1 ZINC001083954330 1257742275 /nfs/dbraw/zinc/74/22/75/1257742275.db2.gz UYNWQRFLUQZJFD-FGTMMUONSA-N 2 2 358.442 0.512 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1)c1ccccc1 ZINC001083954330 1257742279 /nfs/dbraw/zinc/74/22/79/1257742279.db2.gz UYNWQRFLUQZJFD-FGTMMUONSA-N 2 2 358.442 0.512 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954788 1257744068 /nfs/dbraw/zinc/74/40/68/1257744068.db2.gz IWPCTXYMVDMTPW-MSOLQXFVSA-N 2 2 358.442 0.471 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)c1 ZINC001083954788 1257744074 /nfs/dbraw/zinc/74/40/74/1257744074.db2.gz IWPCTXYMVDMTPW-MSOLQXFVSA-N 2 2 358.442 0.471 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)o1 ZINC001083958408 1257748724 /nfs/dbraw/zinc/74/87/24/1257748724.db2.gz DQUBFPJOKBVFET-CABCVRRESA-N 2 2 362.474 0.693 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)o1 ZINC001083958408 1257748726 /nfs/dbraw/zinc/74/87/26/1257748726.db2.gz DQUBFPJOKBVFET-CABCVRRESA-N 2 2 362.474 0.693 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077044 1257903299 /nfs/dbraw/zinc/90/32/99/1257903299.db2.gz CWLDWDLNFAKRIM-GGUMXTIFSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077044 1257903302 /nfs/dbraw/zinc/90/33/02/1257903302.db2.gz CWLDWDLNFAKRIM-GGUMXTIFSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077044 1257903304 /nfs/dbraw/zinc/90/33/04/1257903304.db2.gz CWLDWDLNFAKRIM-GGUMXTIFSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@@H]2O)C1 ZINC001084077044 1257903308 /nfs/dbraw/zinc/90/33/08/1257903308.db2.gz CWLDWDLNFAKRIM-GGUMXTIFSA-N 2 2 359.470 0.582 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078098 1257905207 /nfs/dbraw/zinc/90/52/07/1257905207.db2.gz NBYHYTJPUUOKBZ-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078098 1257905210 /nfs/dbraw/zinc/90/52/10/1257905210.db2.gz NBYHYTJPUUOKBZ-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078098 1257905212 /nfs/dbraw/zinc/90/52/12/1257905212.db2.gz NBYHYTJPUUOKBZ-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H](O)C2)c1 ZINC001084078098 1257905215 /nfs/dbraw/zinc/90/52/15/1257905215.db2.gz NBYHYTJPUUOKBZ-CEXWTWQISA-N 2 2 361.486 0.631 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)[C@@H](O)C2)cn1 ZINC001084087524 1257912432 /nfs/dbraw/zinc/91/24/32/1257912432.db2.gz QVDFGEZMTAEADF-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)[C@@H](O)C2)cn1 ZINC001084087524 1257912434 /nfs/dbraw/zinc/91/24/34/1257912434.db2.gz QVDFGEZMTAEADF-MSOLQXFVSA-N 2 2 357.458 0.457 20 0 FCADLP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114724 1257932727 /nfs/dbraw/zinc/93/27/27/1257932727.db2.gz BHUKIUDFZPXXRK-KSZLIROESA-N 2 2 358.442 0.302 20 0 FCADLP CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114724 1257932735 /nfs/dbraw/zinc/93/27/35/1257932735.db2.gz BHUKIUDFZPXXRK-KSZLIROESA-N 2 2 358.442 0.302 20 0 FCADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115396 1257934447 /nfs/dbraw/zinc/93/44/47/1257934447.db2.gz NLJIWWZXJGRMKK-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115396 1257934450 /nfs/dbraw/zinc/93/44/50/1257934450.db2.gz NLJIWWZXJGRMKK-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251319 1257988765 /nfs/dbraw/zinc/98/87/65/1257988765.db2.gz JOOYFWBCFBWMHH-GUDVDZBRSA-N 2 2 359.470 0.542 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251319 1257988770 /nfs/dbraw/zinc/98/87/70/1257988770.db2.gz JOOYFWBCFBWMHH-GUDVDZBRSA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251319 1257988774 /nfs/dbraw/zinc/98/87/74/1257988774.db2.gz JOOYFWBCFBWMHH-GUDVDZBRSA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001084251319 1257988779 /nfs/dbraw/zinc/98/87/79/1257988779.db2.gz JOOYFWBCFBWMHH-GUDVDZBRSA-N 2 2 359.470 0.542 20 0 FCADLP CCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC001331133826 1266154798 /nfs/dbraw/zinc/15/47/98/1266154798.db2.gz JXIFMMWLILJAKR-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001084663902 1258226608 /nfs/dbraw/zinc/22/66/08/1258226608.db2.gz VHQALLCBSKXFMP-ZMSDIMECSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001084663902 1258226612 /nfs/dbraw/zinc/22/66/12/1258226612.db2.gz VHQALLCBSKXFMP-ZMSDIMECSA-N 2 2 359.474 0.375 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001084739017 1258280379 /nfs/dbraw/zinc/28/03/79/1258280379.db2.gz NUNLWTPMWSLVSD-KZNAEPCWSA-N 2 2 362.518 0.872 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)CC4)[C@@H]3C2)C1=O ZINC001084739017 1258280383 /nfs/dbraw/zinc/28/03/83/1258280383.db2.gz NUNLWTPMWSLVSD-KZNAEPCWSA-N 2 2 362.518 0.872 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001084773242 1258313641 /nfs/dbraw/zinc/31/36/41/1258313641.db2.gz JAJWWEYJSYNFSH-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)nn1 ZINC001084773242 1258313646 /nfs/dbraw/zinc/31/36/46/1258313646.db2.gz JAJWWEYJSYNFSH-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)nn1 ZINC001084773242 1258313655 /nfs/dbraw/zinc/31/36/55/1258313655.db2.gz JAJWWEYJSYNFSH-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)nn1 ZINC001084773242 1258313664 /nfs/dbraw/zinc/31/36/64/1258313664.db2.gz JAJWWEYJSYNFSH-BFYDXBDKSA-N 2 2 359.474 0.860 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084776437 1258318142 /nfs/dbraw/zinc/31/81/42/1258318142.db2.gz ZOUWRZPRUVXXAY-NVXWUHKLSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084776437 1258318152 /nfs/dbraw/zinc/31/81/52/1258318152.db2.gz ZOUWRZPRUVXXAY-NVXWUHKLSA-N 2 2 359.474 0.508 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NC1CCCC1 ZINC001084777586 1258320255 /nfs/dbraw/zinc/32/02/55/1258320255.db2.gz FHGLQTFFZNMTCE-NVXWUHKLSA-N 2 2 360.502 0.674 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NC1CCCC1 ZINC001084777586 1258320261 /nfs/dbraw/zinc/32/02/61/1258320261.db2.gz FHGLQTFFZNMTCE-NVXWUHKLSA-N 2 2 360.502 0.674 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084779423 1258322898 /nfs/dbraw/zinc/32/28/98/1258322898.db2.gz IFMFHPACGOFJSM-CRAIPNDOSA-N 2 2 371.485 0.916 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001084779423 1258322905 /nfs/dbraw/zinc/32/29/05/1258322905.db2.gz IFMFHPACGOFJSM-CRAIPNDOSA-N 2 2 371.485 0.916 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084832868 1258379979 /nfs/dbraw/zinc/37/99/79/1258379979.db2.gz BZZLQJNRNLJKKB-KBAYOESNSA-N 2 2 371.485 0.878 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084832868 1258379990 /nfs/dbraw/zinc/37/99/90/1258379990.db2.gz BZZLQJNRNLJKKB-KBAYOESNSA-N 2 2 371.485 0.878 20 0 FCADLP Cc1oncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834130 1258382339 /nfs/dbraw/zinc/38/23/39/1258382339.db2.gz MYMZOZMTWMQGEY-QGPMSJSTSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1oncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834130 1258382346 /nfs/dbraw/zinc/38/23/46/1258382346.db2.gz MYMZOZMTWMQGEY-QGPMSJSTSA-N 2 2 362.474 0.984 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cn(C)nn4)[C@H]3C2)CC[N@@H+]1C ZINC001084944872 1258457911 /nfs/dbraw/zinc/45/79/11/1258457911.db2.gz TUYTUTNKKFHVDW-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cn(C)nn4)[C@H]3C2)CC[N@H+]1C ZINC001084944872 1258457914 /nfs/dbraw/zinc/45/79/14/1258457914.db2.gz TUYTUTNKKFHVDW-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(C)nn4)[C@H]3C2)CC[NH+]1C ZINC001084944872 1258457915 /nfs/dbraw/zinc/45/79/15/1258457915.db2.gz TUYTUTNKKFHVDW-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(C)nn4)[C@H]3C2)CC[NH+]1C ZINC001084944872 1258457920 /nfs/dbraw/zinc/45/79/20/1258457920.db2.gz TUYTUTNKKFHVDW-SPUZQDLCSA-N 2 2 360.506 0.968 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001331293338 1266185283 /nfs/dbraw/zinc/18/52/83/1266185283.db2.gz ZGEVUHMKTZHLSU-FCEWJHQRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001331293338 1266185289 /nfs/dbraw/zinc/18/52/89/1266185289.db2.gz ZGEVUHMKTZHLSU-FCEWJHQRSA-N 2 2 368.522 0.774 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]32)nn1 ZINC001084980651 1258492984 /nfs/dbraw/zinc/49/29/84/1258492984.db2.gz OGLOTESYLYOFOZ-WBVHZDCISA-N 2 2 358.490 0.866 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@@H]32)nn1 ZINC001084980651 1258492989 /nfs/dbraw/zinc/49/29/89/1258492989.db2.gz OGLOTESYLYOFOZ-WBVHZDCISA-N 2 2 358.490 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001085037225 1258540310 /nfs/dbraw/zinc/54/03/10/1258540310.db2.gz PXLUKLMJFPPKTH-IIVZCXTMSA-N 2 2 371.485 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001085037225 1258540313 /nfs/dbraw/zinc/54/03/13/1258540313.db2.gz PXLUKLMJFPPKTH-IIVZCXTMSA-N 2 2 371.485 0.725 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1)n1cc[nH+]c1 ZINC001085045786 1258543360 /nfs/dbraw/zinc/54/33/60/1258543360.db2.gz LBPPCIHGUPMCGI-BBWFWOEESA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1)n1cc[nH+]c1 ZINC001085045786 1258543366 /nfs/dbraw/zinc/54/33/66/1258543366.db2.gz LBPPCIHGUPMCGI-BBWFWOEESA-N 2 2 359.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001085083330 1258576731 /nfs/dbraw/zinc/57/67/31/1258576731.db2.gz RLYOYABKRQQBBM-WBVHZDCISA-N 2 2 359.474 0.806 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@H]2C1 ZINC001085083330 1258576735 /nfs/dbraw/zinc/57/67/35/1258576735.db2.gz RLYOYABKRQQBBM-WBVHZDCISA-N 2 2 359.474 0.806 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccnn4C)[C@H]3C2)C1 ZINC001085098431 1258592096 /nfs/dbraw/zinc/59/20/96/1258592096.db2.gz QUCPLVIGZZMXAP-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccnn4C)[C@H]3C2)C1 ZINC001085098431 1258592102 /nfs/dbraw/zinc/59/21/02/1258592102.db2.gz QUCPLVIGZZMXAP-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccnn4C)[C@H]3C2)C1 ZINC001085098431 1258592108 /nfs/dbraw/zinc/59/21/08/1258592108.db2.gz QUCPLVIGZZMXAP-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccnn4C)[C@H]3C2)C1 ZINC001085098431 1258592113 /nfs/dbraw/zinc/59/21/13/1258592113.db2.gz QUCPLVIGZZMXAP-BPQIPLTHSA-N 2 2 361.490 0.564 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001085105855 1258599451 /nfs/dbraw/zinc/59/94/51/1258599451.db2.gz KLFNSEBGADZTNQ-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001085105855 1258599457 /nfs/dbraw/zinc/59/94/57/1258599457.db2.gz KLFNSEBGADZTNQ-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001085149118 1258610207 /nfs/dbraw/zinc/61/02/07/1258610207.db2.gz CTWPKNBTZJMICO-KFWWJZLASA-N 2 2 365.478 0.870 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001085149118 1258610213 /nfs/dbraw/zinc/61/02/13/1258610213.db2.gz CTWPKNBTZJMICO-KFWWJZLASA-N 2 2 365.478 0.870 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001085159245 1258611689 /nfs/dbraw/zinc/61/16/89/1258611689.db2.gz MLMLCUJOKMVUJN-KZNAEPCWSA-N 2 2 361.490 0.677 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001085159245 1258611696 /nfs/dbraw/zinc/61/16/96/1258611696.db2.gz MLMLCUJOKMVUJN-KZNAEPCWSA-N 2 2 361.490 0.677 20 0 FCADLP CCCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199954 1258721148 /nfs/dbraw/zinc/72/11/48/1258721148.db2.gz JWTJUUHEKWACHA-IKGGRYGDSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199954 1258721153 /nfs/dbraw/zinc/72/11/53/1258721153.db2.gz JWTJUUHEKWACHA-IKGGRYGDSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199954 1258721158 /nfs/dbraw/zinc/72/11/58/1258721158.db2.gz JWTJUUHEKWACHA-IKGGRYGDSA-N 2 2 360.506 0.920 20 0 FCADLP CCCn1ncnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199954 1258721164 /nfs/dbraw/zinc/72/11/64/1258721164.db2.gz JWTJUUHEKWACHA-IKGGRYGDSA-N 2 2 360.506 0.920 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccon3)CC[C@@H]2C1 ZINC001088202025 1258724854 /nfs/dbraw/zinc/72/48/54/1258724854.db2.gz HACFCUASNWZMQA-ZACQAIPSSA-N 2 2 362.474 0.923 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccon3)CC[C@@H]2C1 ZINC001088202025 1258724857 /nfs/dbraw/zinc/72/48/57/1258724857.db2.gz HACFCUASNWZMQA-ZACQAIPSSA-N 2 2 362.474 0.923 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1)NC1CCCC1 ZINC001088219535 1258740660 /nfs/dbraw/zinc/74/06/60/1258740660.db2.gz HUHGUQRUOPOQCE-CVEARBPZSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1)NC1CCCC1 ZINC001088219535 1258740668 /nfs/dbraw/zinc/74/06/68/1258740668.db2.gz HUHGUQRUOPOQCE-CVEARBPZSA-N 2 2 359.474 0.722 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C2)nc(C)[nH+]1 ZINC001091152675 1258792009 /nfs/dbraw/zinc/79/20/09/1258792009.db2.gz BUKSINYSUNBAAH-OAGGEKHMSA-N 2 2 367.469 0.693 20 0 FCADLP CCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686250 1258913675 /nfs/dbraw/zinc/91/36/75/1258913675.db2.gz BAMBNSQGFTVBIQ-QDIHITRGSA-N 2 2 361.490 0.924 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001100686943 1258913877 /nfs/dbraw/zinc/91/38/77/1258913877.db2.gz ZVIWORMOCXQMKA-QDIHITRGSA-N 2 2 359.474 0.534 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104388328 1258916954 /nfs/dbraw/zinc/91/69/54/1258916954.db2.gz RARHJMSGRONYGX-UKRRQHHQSA-N 2 2 368.445 0.746 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106655374 1258933711 /nfs/dbraw/zinc/93/37/11/1258933711.db2.gz MGRBZEHYCNUHER-UMVBOHGHSA-N 2 2 359.474 0.792 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705005 1258943632 /nfs/dbraw/zinc/94/36/32/1258943632.db2.gz NAGAJYVHWAQETM-RBSFLKMASA-N 2 2 365.478 0.178 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001106799094 1258965349 /nfs/dbraw/zinc/96/53/49/1258965349.db2.gz BDNMRHZFQHJLSU-ZIAGYGMSSA-N 2 2 364.494 0.734 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001106828857 1258972611 /nfs/dbraw/zinc/97/26/11/1258972611.db2.gz OXOYDKYTAHLEMI-GDBMZVCRSA-N 2 2 355.442 0.916 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCOC[C@H]1CCCO1 ZINC001106876856 1258984894 /nfs/dbraw/zinc/98/48/94/1258984894.db2.gz AHILMKKVFGVAAP-JFIYKMOQSA-N 2 2 364.490 0.842 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874849 1258985125 /nfs/dbraw/zinc/98/51/25/1258985125.db2.gz VKWDOSUKXHCACP-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C1CC1 ZINC001106877280 1258986824 /nfs/dbraw/zinc/98/68/24/1258986824.db2.gz VPYQKMKPTQPTPY-IJEWVQPXSA-N 2 2 361.490 0.561 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COCC(C)C)[C@H](C)C1 ZINC001106922973 1258996929 /nfs/dbraw/zinc/99/69/29/1258996929.db2.gz VQTALIFEZUCODM-DJIMGWMZSA-N 2 2 366.506 0.978 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001107078969 1259029526 /nfs/dbraw/zinc/02/95/26/1259029526.db2.gz QXFXOFYMOAKFRT-QLFBSQMISA-N 2 2 371.445 0.384 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481414 1259100866 /nfs/dbraw/zinc/10/08/66/1259100866.db2.gz YCQAPIPVKHFDIZ-GPMSIDNRSA-N 2 2 364.490 0.721 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001107481414 1259100870 /nfs/dbraw/zinc/10/08/70/1259100870.db2.gz YCQAPIPVKHFDIZ-GPMSIDNRSA-N 2 2 364.490 0.721 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCN1CCNC1=O)CC2 ZINC001107588606 1259126063 /nfs/dbraw/zinc/12/60/63/1259126063.db2.gz NZEIXVDLDCCBLU-RDTXWAMCSA-N 2 2 360.462 0.338 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCNC1=O)CC2 ZINC001107588606 1259126071 /nfs/dbraw/zinc/12/60/71/1259126071.db2.gz NZEIXVDLDCCBLU-RDTXWAMCSA-N 2 2 360.462 0.338 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609335 1259131739 /nfs/dbraw/zinc/13/17/39/1259131739.db2.gz NYYRIRXWHZWNAL-CRAIPNDOSA-N 2 2 364.494 0.254 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609335 1259131741 /nfs/dbraw/zinc/13/17/41/1259131741.db2.gz NYYRIRXWHZWNAL-CRAIPNDOSA-N 2 2 364.494 0.254 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107621011 1259135506 /nfs/dbraw/zinc/13/55/06/1259135506.db2.gz HARBQRLPBREBBI-SJLPKXTDSA-N 2 2 357.462 0.913 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107621011 1259135510 /nfs/dbraw/zinc/13/55/10/1259135510.db2.gz HARBQRLPBREBBI-SJLPKXTDSA-N 2 2 357.462 0.913 20 0 FCADLP CC(C)[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090260 1259154729 /nfs/dbraw/zinc/15/47/29/1259154729.db2.gz QLVUWRZYNRUOKV-ZIFCJYIRSA-N 2 2 369.506 0.482 20 0 FCADLP CC(C)[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090260 1259154731 /nfs/dbraw/zinc/15/47/31/1259154731.db2.gz QLVUWRZYNRUOKV-ZIFCJYIRSA-N 2 2 369.506 0.482 20 0 FCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)nc1 ZINC001127570695 1259180485 /nfs/dbraw/zinc/18/04/85/1259180485.db2.gz CMTAPNQVOHFCNZ-AEFFLSMTSA-N 2 2 361.490 0.738 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204485 1259344441 /nfs/dbraw/zinc/34/44/41/1259344441.db2.gz FZYRQGPMJBVHHV-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204485 1259344448 /nfs/dbraw/zinc/34/44/48/1259344448.db2.gz FZYRQGPMJBVHHV-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129272118 1259362077 /nfs/dbraw/zinc/36/20/77/1259362077.db2.gz YDDWUJFCDRKQLL-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129272118 1259362083 /nfs/dbraw/zinc/36/20/83/1259362083.db2.gz YDDWUJFCDRKQLL-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001154679624 1259383453 /nfs/dbraw/zinc/38/34/53/1259383453.db2.gz RFQIQCFXCOZWQC-GOSISDBHSA-N 2 2 360.502 0.830 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642764 1259402937 /nfs/dbraw/zinc/40/29/37/1259402937.db2.gz HZRZQPMNDQCULD-SCTDSRPQSA-N 2 2 362.518 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642764 1259402941 /nfs/dbraw/zinc/40/29/41/1259402941.db2.gz HZRZQPMNDQCULD-SCTDSRPQSA-N 2 2 362.518 0.920 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001212314844 1259462654 /nfs/dbraw/zinc/46/26/54/1259462654.db2.gz KYFAPIMGRIZBHY-MRXNPFEDSA-N 2 2 372.473 0.996 20 0 FCADLP CO[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406478 1259492170 /nfs/dbraw/zinc/49/21/70/1259492170.db2.gz UQBZDYSNADYHBP-BRWVUGGUSA-N 2 2 369.485 0.769 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406478 1259492174 /nfs/dbraw/zinc/49/21/74/1259492174.db2.gz UQBZDYSNADYHBP-BRWVUGGUSA-N 2 2 369.485 0.769 20 0 FCADLP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405952 1259492219 /nfs/dbraw/zinc/49/22/19/1259492219.db2.gz GEKUKNSHNSBVAX-BFQLNGAHSA-N 2 2 363.506 0.985 20 0 FCADLP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405952 1259492223 /nfs/dbraw/zinc/49/22/23/1259492223.db2.gz GEKUKNSHNSBVAX-BFQLNGAHSA-N 2 2 363.506 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408154 1259493709 /nfs/dbraw/zinc/49/37/09/1259493709.db2.gz MZFASUKOLLLMMP-RBSFLKMASA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408154 1259493712 /nfs/dbraw/zinc/49/37/12/1259493712.db2.gz MZFASUKOLLLMMP-RBSFLKMASA-N 2 2 368.522 0.589 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483786 1259520189 /nfs/dbraw/zinc/52/01/89/1259520189.db2.gz SNNKMSHNJLOUEQ-RRFJBIMHSA-N 2 2 370.538 0.835 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483786 1259520192 /nfs/dbraw/zinc/52/01/92/1259520192.db2.gz SNNKMSHNJLOUEQ-RRFJBIMHSA-N 2 2 370.538 0.835 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483786 1259520194 /nfs/dbraw/zinc/52/01/94/1259520194.db2.gz SNNKMSHNJLOUEQ-RRFJBIMHSA-N 2 2 370.538 0.835 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212483786 1259520195 /nfs/dbraw/zinc/52/01/95/1259520195.db2.gz SNNKMSHNJLOUEQ-RRFJBIMHSA-N 2 2 370.538 0.835 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495682 1259524982 /nfs/dbraw/zinc/52/49/82/1259524982.db2.gz NMKJRKXMWWHGLU-IAGOWNOFSA-N 2 2 368.478 0.982 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495682 1259524987 /nfs/dbraw/zinc/52/49/87/1259524987.db2.gz NMKJRKXMWWHGLU-IAGOWNOFSA-N 2 2 368.478 0.982 20 0 FCADLP Cc1cnc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001237806125 1259608608 /nfs/dbraw/zinc/60/86/08/1259608608.db2.gz GNMJURYTQKKBGZ-UHFFFAOYSA-N 2 2 361.490 0.788 20 0 FCADLP Cc1cnc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001237806125 1259608617 /nfs/dbraw/zinc/60/86/17/1259608617.db2.gz GNMJURYTQKKBGZ-UHFFFAOYSA-N 2 2 361.490 0.788 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(N3CCOCC3)n2)CCC1=O ZINC001237851405 1259613516 /nfs/dbraw/zinc/61/35/16/1259613516.db2.gz PRKGUCVWPUBPOK-UHFFFAOYSA-N 2 2 361.490 0.514 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(N3CCOCC3)n2)CCC1=O ZINC001237851405 1259613523 /nfs/dbraw/zinc/61/35/23/1259613523.db2.gz PRKGUCVWPUBPOK-UHFFFAOYSA-N 2 2 361.490 0.514 20 0 FCADLP COc1cccc(C2([NH2+]C[C@@H](O)CC3(O)CC[NH2+]CC3)CC[NH2+]CC2)c1 ZINC001246009182 1259644666 /nfs/dbraw/zinc/64/46/66/1259644666.db2.gz SWFOQXFFDVSGIP-KRWDZBQOSA-N 3 2 363.502 0.729 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001246070494 1259648520 /nfs/dbraw/zinc/64/85/20/1259648520.db2.gz OBAAPAKEEMJIQB-NZSAHSFTSA-N 3 2 368.472 0.693 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001246070494 1259648528 /nfs/dbraw/zinc/64/85/28/1259648528.db2.gz OBAAPAKEEMJIQB-NZSAHSFTSA-N 3 2 368.472 0.693 20 0 FCADLP Cc1nc(C)n(C[C@@H]2Cn3ccnc3C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707647 1259667256 /nfs/dbraw/zinc/66/72/56/1259667256.db2.gz ZUOGIJFPJFEKRY-SJORKVTESA-N 2 2 370.505 0.317 20 0 FCADLP Cc1nc(C)n(C[C@@H]2Cn3ccnc3C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707647 1259667265 /nfs/dbraw/zinc/66/72/65/1259667265.db2.gz ZUOGIJFPJFEKRY-SJORKVTESA-N 2 2 370.505 0.317 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C[NH2+]1 ZINC001246746005 1259677353 /nfs/dbraw/zinc/67/73/53/1259677353.db2.gz QOILJMSSGZHOPG-WBVHZDCISA-N 2 2 361.490 0.631 20 0 FCADLP COc1cnc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c(C)c1 ZINC001247332190 1259698961 /nfs/dbraw/zinc/69/89/61/1259698961.db2.gz CWYSHWKOVCCQFV-LBPRGKRZSA-N 2 2 357.374 0.358 20 0 FCADLP CN(C)c1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cc1 ZINC001247332174 1259700551 /nfs/dbraw/zinc/70/05/51/1259700551.db2.gz JOWKOTBGARPRRN-AWEZNQCLSA-N 2 2 355.402 0.712 20 0 FCADLP CC(C)Oc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cn1 ZINC001247333294 1259701016 /nfs/dbraw/zinc/70/10/16/1259701016.db2.gz GZKMIGFNQOHXCZ-ZDUSSCGKSA-N 2 2 371.401 0.828 20 0 FCADLP O[C@@H](CN1CC[N@@H+]2C[C@@H](Oc3ccccc3)C[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251017526 1259731529 /nfs/dbraw/zinc/73/15/29/1259731529.db2.gz SBUBCEYIYJTQOU-GGPKGHCWSA-N 2 2 361.486 0.517 20 0 FCADLP O[C@@H](CN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251017526 1259731531 /nfs/dbraw/zinc/73/15/31/1259731531.db2.gz SBUBCEYIYJTQOU-GGPKGHCWSA-N 2 2 361.486 0.517 20 0 FCADLP COc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC001251035816 1259734053 /nfs/dbraw/zinc/73/40/53/1259734053.db2.gz OHIIKDJSRIOMDC-IBGZPJMESA-N 2 2 363.502 0.942 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335629936 1259752305 /nfs/dbraw/zinc/75/23/05/1259752305.db2.gz ONCJTBLRMUVDTJ-CVEARBPZSA-N 2 2 354.495 0.555 20 0 FCADLP COCC(=O)N[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001252934552 1259813055 /nfs/dbraw/zinc/81/30/55/1259813055.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)N[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001252934552 1259813063 /nfs/dbraw/zinc/81/30/63/1259813063.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)N[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252934552 1259813066 /nfs/dbraw/zinc/81/30/66/1259813066.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)N[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252934552 1259813072 /nfs/dbraw/zinc/81/30/72/1259813072.db2.gz VEXDNIHWHMGEFZ-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001253055281 1259818706 /nfs/dbraw/zinc/81/87/06/1259818706.db2.gz MJMMNOYADCTPQY-IBGZPJMESA-N 2 2 363.502 0.547 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001253388709 1259838185 /nfs/dbraw/zinc/83/81/85/1259838185.db2.gz MIHORVZVZCHTBG-YLFCFFPRSA-N 2 2 369.506 0.769 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001253388709 1259838191 /nfs/dbraw/zinc/83/81/91/1259838191.db2.gz MIHORVZVZCHTBG-YLFCFFPRSA-N 2 2 369.506 0.769 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001253391430 1259838457 /nfs/dbraw/zinc/83/84/57/1259838457.db2.gz MKNXGYMDXXVHBO-MRXNPFEDSA-N 2 2 364.538 0.871 20 0 FCADLP CC(C)[C@@H](O)C[N@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001253760872 1259853724 /nfs/dbraw/zinc/85/37/24/1259853724.db2.gz JBXWSTLFCXZONT-WMZOPIPTSA-N 2 2 366.506 0.685 20 0 FCADLP CC(C)[C@@H](O)C[N@@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001253760872 1259853729 /nfs/dbraw/zinc/85/37/29/1259853729.db2.gz JBXWSTLFCXZONT-WMZOPIPTSA-N 2 2 366.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H](C)O1 ZINC001331834700 1266292931 /nfs/dbraw/zinc/29/29/31/1266292931.db2.gz NNZMERIOSNRFSD-OAGGEKHMSA-N 2 2 366.506 0.297 20 0 FCADLP COCCN1CCN(C)C2(CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)C1=O ZINC001256075095 1259933391 /nfs/dbraw/zinc/93/33/91/1259933391.db2.gz CVJKTGWISSQQPM-UHFFFAOYSA-N 2 2 364.534 0.868 20 0 FCADLP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CN1C(=O)OC(C)(C)C ZINC001256257243 1259941023 /nfs/dbraw/zinc/94/10/23/1259941023.db2.gz XAMIYBWJDATGHX-LSDHHAIUSA-N 2 2 371.478 0.584 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001336014951 1259944681 /nfs/dbraw/zinc/94/46/81/1259944681.db2.gz AXWWCHFDKCAKSH-INIZCTEOSA-N 2 2 358.508 0.033 20 0 FCADLP CCOC(=O)C1(C(=O)OCC)CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001256994885 1259985471 /nfs/dbraw/zinc/98/54/71/1259985471.db2.gz CSDIVVQOAIMIRE-UHFFFAOYSA-N 2 2 368.478 0.813 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001336193323 1260036074 /nfs/dbraw/zinc/03/60/74/1260036074.db2.gz QIKKKJHPUOMPOM-UHFFFAOYSA-N 3 2 367.538 0.600 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001261524602 1260154755 /nfs/dbraw/zinc/15/47/55/1260154755.db2.gz FLJQVFXAVZSSPJ-LPHOPBHVSA-N 2 2 366.506 0.143 20 0 FCADLP O=C(CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccccc1 ZINC001336771376 1260219157 /nfs/dbraw/zinc/21/91/57/1260219157.db2.gz SCSKUBCGASXHMB-QGZVFWFLSA-N 2 2 360.458 0.538 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262062072 1260253780 /nfs/dbraw/zinc/25/37/80/1260253780.db2.gz QWMUZGMTVYZMDJ-HDICACEKSA-N 2 2 372.469 0.098 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@H]1C[NH+](C)CCO1 ZINC001262578072 1260329966 /nfs/dbraw/zinc/32/99/66/1260329966.db2.gz HNPUKPKEBPOTOF-NRSFXHEJSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@H]1C[NH+](C)CCO1 ZINC001262578072 1260329972 /nfs/dbraw/zinc/32/99/72/1260329972.db2.gz HNPUKPKEBPOTOF-NRSFXHEJSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@H]1C[N@H+](C)CCO1 ZINC001262578072 1260329976 /nfs/dbraw/zinc/32/99/76/1260329976.db2.gz HNPUKPKEBPOTOF-NRSFXHEJSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001262578072 1260329985 /nfs/dbraw/zinc/32/99/85/1260329985.db2.gz HNPUKPKEBPOTOF-NRSFXHEJSA-N 3 2 365.522 0.316 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc([C@H](O)COC)n3C)CC2)CC1 ZINC001262840741 1260332535 /nfs/dbraw/zinc/33/25/35/1260332535.db2.gz JNIAEGDABOWAGL-MRXNPFEDSA-N 2 2 366.510 0.491 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc([C@H](O)COC)n3C)CC2)CC1 ZINC001262840741 1260332542 /nfs/dbraw/zinc/33/25/42/1260332542.db2.gz JNIAEGDABOWAGL-MRXNPFEDSA-N 2 2 366.510 0.491 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001264646245 1260388953 /nfs/dbraw/zinc/38/89/53/1260388953.db2.gz HLEQWWXHKRDAOQ-KGLIPLIRSA-N 2 2 363.462 0.266 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001264646245 1260388958 /nfs/dbraw/zinc/38/89/58/1260388958.db2.gz HLEQWWXHKRDAOQ-KGLIPLIRSA-N 2 2 363.462 0.266 20 0 FCADLP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC001337531743 1260423753 /nfs/dbraw/zinc/42/37/53/1260423753.db2.gz PFOSIJSOJIWVTP-CTYIDZIISA-N 2 2 359.474 0.779 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1)[NH+](C)C ZINC001271634170 1260442586 /nfs/dbraw/zinc/44/25/86/1260442586.db2.gz IOAGUHLFAPZGPI-UGSOOPFHSA-N 2 2 361.446 0.238 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)CCn2cc[nH+]c2)CC1 ZINC001272994287 1260556678 /nfs/dbraw/zinc/55/66/78/1260556678.db2.gz WPUQKGNRJYUKGI-HNAYVOBHSA-N 2 2 359.474 0.817 20 0 FCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)C1 ZINC001273192506 1260620083 /nfs/dbraw/zinc/62/00/83/1260620083.db2.gz QRQOYPVXQBETQN-YYIAUSFCSA-N 2 2 359.474 0.815 20 0 FCADLP CCCCOC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777777 1260668425 /nfs/dbraw/zinc/66/84/25/1260668425.db2.gz HMCPWAUMVRKDOX-IEBWSBKVSA-N 2 2 364.490 0.985 20 0 FCADLP CCCCOC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777777 1260668431 /nfs/dbraw/zinc/66/84/31/1260668431.db2.gz HMCPWAUMVRKDOX-IEBWSBKVSA-N 2 2 364.490 0.985 20 0 FCADLP CCN(C)c1nc(N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH+]cc1C ZINC001277921221 1260677652 /nfs/dbraw/zinc/67/76/52/1260677652.db2.gz IDYDEPNXFJLSAS-UHFFFAOYSA-N 2 2 362.478 0.220 20 0 FCADLP Cc1ncc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)n1C ZINC001279399479 1260860646 /nfs/dbraw/zinc/86/06/46/1260860646.db2.gz DXTOMKPMUSOQRS-LJQANCHMSA-N 2 2 362.522 0.447 20 0 FCADLP Cc1ncc(C[N@H+]2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)n1C ZINC001279399479 1260860654 /nfs/dbraw/zinc/86/06/54/1260860654.db2.gz DXTOMKPMUSOQRS-LJQANCHMSA-N 2 2 362.522 0.447 20 0 FCADLP Cc1[nH+]cc(CN2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)n1C ZINC001279399479 1260860660 /nfs/dbraw/zinc/86/06/60/1260860660.db2.gz DXTOMKPMUSOQRS-LJQANCHMSA-N 2 2 362.522 0.447 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001279427977 1260867839 /nfs/dbraw/zinc/86/78/39/1260867839.db2.gz NJQDSRATFOGKPS-UHFFFAOYSA-N 2 2 362.522 0.244 20 0 FCADLP CC(=O)N1CCC(C[N@@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)CC1 ZINC001279509016 1260882150 /nfs/dbraw/zinc/88/21/50/1260882150.db2.gz UDCHMZVHHUBSII-OALUTQOASA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC(C[N@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)CC1 ZINC001279509016 1260882156 /nfs/dbraw/zinc/88/21/56/1260882156.db2.gz UDCHMZVHHUBSII-OALUTQOASA-N 2 2 361.490 0.527 20 0 FCADLP CC(C)NC(=O)N[C@@]12CC[C@@]([NH2+]CC(=O)N3CC[NH+](C)CC3)(C1)CCC2 ZINC001280075246 1260991559 /nfs/dbraw/zinc/99/15/59/1260991559.db2.gz SDQLWXNDFYOLOS-MOPGFXCFSA-N 2 2 365.522 0.903 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001280291125 1261050314 /nfs/dbraw/zinc/05/03/14/1261050314.db2.gz KMRKYYMPZXDYGG-JKSUJKDBSA-N 2 2 360.462 0.159 20 0 FCADLP CS(=O)(=O)c1cccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC001473995984 1261504016 /nfs/dbraw/zinc/50/40/16/1261504016.db2.gz NCZZUEJOAXHZBR-KRWDZBQOSA-N 2 2 367.515 0.586 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cn1 ZINC001345167857 1261645906 /nfs/dbraw/zinc/64/59/06/1261645906.db2.gz GOLVCSKFLMGTNN-UHFFFAOYSA-N 2 2 356.430 0.402 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC001345454968 1261712051 /nfs/dbraw/zinc/71/20/51/1261712051.db2.gz SHLAKMJOCKJDKP-UHFFFAOYSA-N 2 2 368.522 0.502 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001345536814 1261733397 /nfs/dbraw/zinc/73/33/97/1261733397.db2.gz OOESTVQQGPHNPI-ROUUACIJSA-N 2 2 368.570 0.338 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001345536814 1261733405 /nfs/dbraw/zinc/73/34/05/1261733405.db2.gz OOESTVQQGPHNPI-ROUUACIJSA-N 2 2 368.570 0.338 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001288989878 1262060956 /nfs/dbraw/zinc/06/09/56/1262060956.db2.gz YZDQDKFAQUCJHR-SOUVJXGZSA-N 2 2 365.453 0.691 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290880048 1262527048 /nfs/dbraw/zinc/52/70/48/1262527048.db2.gz ATMFFWQEYCASMG-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001290880048 1262527053 /nfs/dbraw/zinc/52/70/53/1262527053.db2.gz ATMFFWQEYCASMG-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001290880048 1262527055 /nfs/dbraw/zinc/52/70/55/1262527055.db2.gz ATMFFWQEYCASMG-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001290880048 1262527057 /nfs/dbraw/zinc/52/70/57/1262527057.db2.gz ATMFFWQEYCASMG-MRXNPFEDSA-N 2 2 364.494 0.218 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001295054852 1262755184 /nfs/dbraw/zinc/75/51/84/1262755184.db2.gz HXSNXSOUUFHTRN-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001295054852 1262755188 /nfs/dbraw/zinc/75/51/88/1262755188.db2.gz HXSNXSOUUFHTRN-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP [NH3+]Cc1nc2ccccc2n1CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001580355295 1278157725 /nfs/dbraw/zinc/15/77/25/1278157725.db2.gz BNOQZUZMBYSTFZ-HNNXBMFYSA-N 2 2 357.458 0.818 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580374321 1278184433 /nfs/dbraw/zinc/18/44/33/1278184433.db2.gz BJAFTXVZUJPUFZ-INWMFGNUSA-N 2 2 370.461 0.829 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580374321 1278184444 /nfs/dbraw/zinc/18/44/44/1278184444.db2.gz BJAFTXVZUJPUFZ-INWMFGNUSA-N 2 2 370.461 0.829 20 0 FCADLP NC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nn1 ZINC001308344370 1263216763 /nfs/dbraw/zinc/21/67/63/1263216763.db2.gz HEEIWQAAQCEVNE-KRWDZBQOSA-N 2 2 358.446 0.010 20 0 FCADLP NC(=O)Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nn1 ZINC001308344370 1263216769 /nfs/dbraw/zinc/21/67/69/1263216769.db2.gz HEEIWQAAQCEVNE-KRWDZBQOSA-N 2 2 358.446 0.010 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001479502227 1263226847 /nfs/dbraw/zinc/22/68/47/1263226847.db2.gz KQXPHONLNKKIOF-XOKHGSTOSA-N 2 2 360.462 0.695 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001479502227 1263226860 /nfs/dbraw/zinc/22/68/60/1263226860.db2.gz KQXPHONLNKKIOF-XOKHGSTOSA-N 2 2 360.462 0.695 20 0 FCADLP C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)CS(C)(=O)=O ZINC001480158025 1263425321 /nfs/dbraw/zinc/42/53/21/1263425321.db2.gz HXMXZLVDVAPJGX-KJWHEZOQSA-N 2 2 368.503 0.441 20 0 FCADLP Cc1nccnc1CN1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001316962347 1263495972 /nfs/dbraw/zinc/49/59/72/1263495972.db2.gz AUSMVKSZDCPFHZ-IAGOWNOFSA-N 2 2 360.506 0.359 20 0 FCADLP Cc1nccnc1CN1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001316962347 1263495977 /nfs/dbraw/zinc/49/59/77/1263495977.db2.gz AUSMVKSZDCPFHZ-IAGOWNOFSA-N 2 2 360.506 0.359 20 0 FCADLP Cc1nccnc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001316962347 1263495982 /nfs/dbraw/zinc/49/59/82/1263495982.db2.gz AUSMVKSZDCPFHZ-IAGOWNOFSA-N 2 2 360.506 0.359 20 0 FCADLP Cc1nccnc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001316962347 1263495986 /nfs/dbraw/zinc/49/59/86/1263495986.db2.gz AUSMVKSZDCPFHZ-IAGOWNOFSA-N 2 2 360.506 0.359 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001318313094 1263561026 /nfs/dbraw/zinc/56/10/26/1263561026.db2.gz KCLHIXUBJALTIP-GOSISDBHSA-N 2 2 373.501 0.763 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001318313094 1263561038 /nfs/dbraw/zinc/56/10/38/1263561038.db2.gz KCLHIXUBJALTIP-GOSISDBHSA-N 2 2 373.501 0.763 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001318313095 1263561886 /nfs/dbraw/zinc/56/18/86/1263561886.db2.gz KCLHIXUBJALTIP-SFHVURJKSA-N 2 2 373.501 0.763 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001318313095 1263561892 /nfs/dbraw/zinc/56/18/92/1263561892.db2.gz KCLHIXUBJALTIP-SFHVURJKSA-N 2 2 373.501 0.763 20 0 FCADLP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318533936 1263583472 /nfs/dbraw/zinc/58/34/72/1263583472.db2.gz HWOGOOCBSGTSPQ-AWEZNQCLSA-N 2 2 372.473 0.158 20 0 FCADLP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318533936 1263583478 /nfs/dbraw/zinc/58/34/78/1263583478.db2.gz HWOGOOCBSGTSPQ-AWEZNQCLSA-N 2 2 372.473 0.158 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001320951084 1263885879 /nfs/dbraw/zinc/88/58/79/1263885879.db2.gz BPMKZDPQSDMAGT-CYBMUJFWSA-N 2 2 359.434 0.490 20 0 FCADLP CN(CC[N@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496786909 1263898034 /nfs/dbraw/zinc/89/80/34/1263898034.db2.gz VUWWKPQVJMJFAT-HZPDHXFCSA-N 2 2 357.458 0.813 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496786909 1263898047 /nfs/dbraw/zinc/89/80/47/1263898047.db2.gz VUWWKPQVJMJFAT-HZPDHXFCSA-N 2 2 357.458 0.813 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001321174066 1263918223 /nfs/dbraw/zinc/91/82/23/1263918223.db2.gz GZMNILOZNFPMFV-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001321174066 1263918231 /nfs/dbraw/zinc/91/82/31/1263918231.db2.gz GZMNILOZNFPMFV-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP O=C(NC1CC1)[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440477 1263963541 /nfs/dbraw/zinc/96/35/41/1263963541.db2.gz NKSJWMWBIKSOHM-IFXJQAMLSA-N 2 2 362.474 0.851 20 0 FCADLP O=C(NC1CC1)[C@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440477 1263963547 /nfs/dbraw/zinc/96/35/47/1263963547.db2.gz NKSJWMWBIKSOHM-IFXJQAMLSA-N 2 2 362.474 0.851 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CC1 ZINC001322170753 1264159385 /nfs/dbraw/zinc/15/93/85/1264159385.db2.gz COUSPLATYCJZCX-HNNXBMFYSA-N 2 2 361.490 0.802 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CC1 ZINC001322170753 1264159388 /nfs/dbraw/zinc/15/93/88/1264159388.db2.gz COUSPLATYCJZCX-HNNXBMFYSA-N 2 2 361.490 0.802 20 0 FCADLP COCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322725608 1264249831 /nfs/dbraw/zinc/24/98/31/1264249831.db2.gz VSDKSPPAFJAZCJ-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP COCC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001322725608 1264249833 /nfs/dbraw/zinc/24/98/33/1264249833.db2.gz VSDKSPPAFJAZCJ-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC001322743143 1264253743 /nfs/dbraw/zinc/25/37/43/1264253743.db2.gz JVXJPYOCPKAOFE-HNNXBMFYSA-N 2 2 363.462 0.145 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC001322743143 1264253754 /nfs/dbraw/zinc/25/37/54/1264253754.db2.gz JVXJPYOCPKAOFE-HNNXBMFYSA-N 2 2 363.462 0.145 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001580402609 1278229301 /nfs/dbraw/zinc/22/93/01/1278229301.db2.gz CHYKHFHFIOSHKP-SNVBAGLBSA-N 2 2 358.381 0.566 20 0 FCADLP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001510744074 1264510902 /nfs/dbraw/zinc/51/09/02/1264510902.db2.gz QGDRXCXMMKVCPW-RBSFLKMASA-N 2 2 361.490 0.829 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC001324907604 1264733395 /nfs/dbraw/zinc/73/33/95/1264733395.db2.gz SPRHKNCKBWJTST-ZACQAIPSSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC001324907604 1264733404 /nfs/dbraw/zinc/73/34/04/1264733404.db2.gz SPRHKNCKBWJTST-ZACQAIPSSA-N 2 2 359.474 0.989 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1Cc2ccccc2CO1 ZINC001325478983 1264902325 /nfs/dbraw/zinc/90/23/25/1264902325.db2.gz VXLMKSDUKZQECC-UHFFFAOYSA-N 2 2 374.485 0.945 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1Cc2ccccc2CO1 ZINC001325478983 1264902333 /nfs/dbraw/zinc/90/23/33/1264902333.db2.gz VXLMKSDUKZQECC-UHFFFAOYSA-N 2 2 374.485 0.945 20 0 FCADLP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532335 1264920233 /nfs/dbraw/zinc/92/02/33/1264920233.db2.gz XAJFJTFOALNFDI-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325532335 1264920237 /nfs/dbraw/zinc/92/02/37/1264920237.db2.gz XAJFJTFOALNFDI-HYVNUMGLSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001325652983 1264959477 /nfs/dbraw/zinc/95/94/77/1264959477.db2.gz TUTFYDCAPLXNSE-HZPDHXFCSA-N 2 2 361.490 0.867 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001513404995 1265105576 /nfs/dbraw/zinc/10/55/76/1265105576.db2.gz VDEVARYPZSWUPX-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001513404995 1265105581 /nfs/dbraw/zinc/10/55/81/1265105581.db2.gz VDEVARYPZSWUPX-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)NCCCn3cc[nH+]c3)C2)C1 ZINC001326549272 1265132615 /nfs/dbraw/zinc/13/26/15/1265132615.db2.gz IJBWQCRNHBSGRM-XHSDSOJGSA-N 2 2 363.462 0.134 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC001326563326 1265135884 /nfs/dbraw/zinc/13/58/84/1265135884.db2.gz ZYWCQQJUDRQCOG-MRXNPFEDSA-N 2 2 361.490 0.789 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC001326563324 1265136033 /nfs/dbraw/zinc/13/60/33/1265136033.db2.gz ZYWCQQJUDRQCOG-INIZCTEOSA-N 2 2 361.490 0.789 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(N3CCCC3=O)CC1)C2=O ZINC001326711872 1265156550 /nfs/dbraw/zinc/15/65/50/1265156550.db2.gz RCNHUHLXRPPQGR-UHFFFAOYSA-N 2 2 363.462 0.047 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001327324023 1265285495 /nfs/dbraw/zinc/28/54/95/1265285495.db2.gz LWKYMAROOCNKEG-VSZNYVQBSA-N 2 2 367.538 0.550 20 0 FCADLP C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001522452422 1266558295 /nfs/dbraw/zinc/55/82/95/1266558295.db2.gz CWBJFAKGSSGVMB-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001522452422 1266558297 /nfs/dbraw/zinc/55/82/97/1266558297.db2.gz CWBJFAKGSSGVMB-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC001333425748 1266599294 /nfs/dbraw/zinc/59/92/94/1266599294.db2.gz PHVROVZKDMEVGN-FUHWJXTLSA-N 2 2 374.485 0.387 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001580417727 1278270460 /nfs/dbraw/zinc/27/04/60/1278270460.db2.gz JUKNZXJMWUPZOP-NEPJUHHUSA-N 2 2 367.417 0.059 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575032 1266636318 /nfs/dbraw/zinc/63/63/18/1266636318.db2.gz RBDDXEWBODYEDN-OAGGEKHMSA-N 2 2 350.463 0.597 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@H]2C1 ZINC001333575032 1266636323 /nfs/dbraw/zinc/63/63/23/1266636323.db2.gz RBDDXEWBODYEDN-OAGGEKHMSA-N 2 2 350.463 0.597 20 0 FCADLP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001333885353 1266738597 /nfs/dbraw/zinc/73/85/97/1266738597.db2.gz SRFJNPBXDRRDTJ-MRXNPFEDSA-N 2 2 362.474 0.247 20 0 FCADLP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001333885353 1266738606 /nfs/dbraw/zinc/73/86/06/1266738606.db2.gz SRFJNPBXDRRDTJ-MRXNPFEDSA-N 2 2 362.474 0.247 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001527877763 1266931057 /nfs/dbraw/zinc/93/10/57/1266931057.db2.gz IJPPJGIAAYMMOS-UHFFFAOYSA-N 2 2 351.451 0.720 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001527877763 1266931063 /nfs/dbraw/zinc/93/10/63/1266931063.db2.gz IJPPJGIAAYMMOS-UHFFFAOYSA-N 2 2 351.451 0.720 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001527877733 1266931133 /nfs/dbraw/zinc/93/11/33/1266931133.db2.gz HVUMAGYHXVVQFZ-QGZVFWFLSA-N 2 2 366.506 0.809 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001527877733 1266931137 /nfs/dbraw/zinc/93/11/37/1266931137.db2.gz HVUMAGYHXVVQFZ-QGZVFWFLSA-N 2 2 366.506 0.809 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001527877733 1266931141 /nfs/dbraw/zinc/93/11/41/1266931141.db2.gz HVUMAGYHXVVQFZ-QGZVFWFLSA-N 2 2 366.506 0.809 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001527877733 1266931147 /nfs/dbraw/zinc/93/11/47/1266931147.db2.gz HVUMAGYHXVVQFZ-QGZVFWFLSA-N 2 2 366.506 0.809 20 0 FCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001580446851 1278310441 /nfs/dbraw/zinc/31/04/41/1278310441.db2.gz MRNGFMHBDSHIEN-BBRMVZONSA-N 2 2 369.473 0.897 20 0 FCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001580446851 1278310451 /nfs/dbraw/zinc/31/04/51/1278310451.db2.gz MRNGFMHBDSHIEN-BBRMVZONSA-N 2 2 369.473 0.897 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334873128 1267212525 /nfs/dbraw/zinc/21/25/25/1267212525.db2.gz HKCBOQOPUKOEIP-OAHLLOKOSA-N 2 2 350.467 0.821 20 0 FCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001334873128 1267212535 /nfs/dbraw/zinc/21/25/35/1267212535.db2.gz HKCBOQOPUKOEIP-OAHLLOKOSA-N 2 2 350.467 0.821 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001335141184 1267360036 /nfs/dbraw/zinc/36/00/36/1267360036.db2.gz IBRCJQCCZHMHTM-PYUISTEWSA-N 2 2 374.485 0.706 20 0 FCADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001335141184 1267360042 /nfs/dbraw/zinc/36/00/42/1267360042.db2.gz IBRCJQCCZHMHTM-PYUISTEWSA-N 2 2 374.485 0.706 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152942 1267829716 /nfs/dbraw/zinc/82/97/16/1267829716.db2.gz HDJSJYAQKUEONA-KEYYUXOJSA-N 2 2 362.478 0.913 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549152942 1267829720 /nfs/dbraw/zinc/82/97/20/1267829720.db2.gz HDJSJYAQKUEONA-KEYYUXOJSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001549152373 1267830132 /nfs/dbraw/zinc/83/01/32/1267830132.db2.gz BTYZLOWHVZZIBW-BASYENTBSA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001549152373 1267830143 /nfs/dbraw/zinc/83/01/43/1267830143.db2.gz BTYZLOWHVZZIBW-BASYENTBSA-N 2 2 374.489 0.866 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153398 1267831149 /nfs/dbraw/zinc/83/11/49/1267831149.db2.gz OZNGRPUTRPJSHH-YOEHRIQHSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001549152479 1267831437 /nfs/dbraw/zinc/83/14/37/1267831437.db2.gz DJSIRPRCUPGOKS-QDEZUTFSSA-N 2 2 362.478 0.912 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549154708 1267833273 /nfs/dbraw/zinc/83/32/73/1267833273.db2.gz HSOCBIJVNMJMLN-CJNGLKHVSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001549157718 1267836523 /nfs/dbraw/zinc/83/65/23/1267836523.db2.gz ZAUAXFKGFYWMPY-YJBOKZPZSA-N 2 2 374.489 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC001549159534 1267836932 /nfs/dbraw/zinc/83/69/32/1267836932.db2.gz YBQVBJWMOLZNET-XJKSGUPXSA-N 2 2 362.478 0.913 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549158077 1267838160 /nfs/dbraw/zinc/83/81/60/1267838160.db2.gz FTNVYYFUDQEDDI-WMLDXEAASA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC001549158496 1267839477 /nfs/dbraw/zinc/83/94/77/1267839477.db2.gz LVCLFNRATDHIRR-PBHICJAKSA-N 2 2 360.462 0.477 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549160008 1267839563 /nfs/dbraw/zinc/83/95/63/1267839563.db2.gz LNOOWAJEWOPFEN-PBHICJAKSA-N 2 2 362.478 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001549163304 1267844281 /nfs/dbraw/zinc/84/42/81/1267844281.db2.gz VKQJGFZFOJXCGE-XCRHUMRWSA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001549163304 1267844290 /nfs/dbraw/zinc/84/42/90/1267844290.db2.gz VKQJGFZFOJXCGE-XCRHUMRWSA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001549176331 1267853458 /nfs/dbraw/zinc/85/34/58/1267853458.db2.gz BZOIIHYPBICIRP-FDQGKXFDSA-N 2 2 360.462 0.525 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001549176354 1267853798 /nfs/dbraw/zinc/85/37/98/1267853798.db2.gz CXCKNIVTWPWNEF-GMIGGYDBSA-N 2 2 360.462 0.509 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(-c4cn[nH]n4)n3C)CC2)CC1 ZINC001338309760 1267905196 /nfs/dbraw/zinc/90/51/96/1267905196.db2.gz GAKZCIIATLAXAC-UHFFFAOYSA-N 2 2 359.482 0.597 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(-c4cn[nH]n4)n3C)CC2)CC1 ZINC001338309760 1267905204 /nfs/dbraw/zinc/90/52/04/1267905204.db2.gz GAKZCIIATLAXAC-UHFFFAOYSA-N 2 2 359.482 0.597 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@@H]([NH+](C)C)[C@@H](n4ccnn4)C3)nc[nH+]2)C1 ZINC001549560559 1267955948 /nfs/dbraw/zinc/95/59/48/1267955948.db2.gz UWVDADSBFJXCLH-JJXSEGSLSA-N 2 2 372.477 0.267 20 0 FCADLP O=C(NCc1cnn2c1C[NH2+]CC2)N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2 ZINC001549739958 1267985360 /nfs/dbraw/zinc/98/53/60/1267985360.db2.gz IYNDRZSHJAOEJH-SJORKVTESA-N 2 2 374.489 0.429 20 0 FCADLP CN1CC[NH+]([C@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC001549999241 1268042826 /nfs/dbraw/zinc/04/28/26/1268042826.db2.gz CJYWKLKULRRXSI-SFHVURJKSA-N 2 2 364.534 0.870 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2)CC1 ZINC001550006528 1268046680 /nfs/dbraw/zinc/04/66/80/1268046680.db2.gz DXAJFVUDNVPPTB-RTBURBONSA-N 2 2 357.502 0.894 20 0 FCADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2)CC1 ZINC001550006528 1268046694 /nfs/dbraw/zinc/04/66/94/1268046694.db2.gz DXAJFVUDNVPPTB-RTBURBONSA-N 2 2 357.502 0.894 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)C[C@@H]1C ZINC001338704155 1268051085 /nfs/dbraw/zinc/05/10/85/1268051085.db2.gz QYANGBIEAVRCCW-KBPBESRZSA-N 2 2 363.510 0.431 20 0 FCADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542018 1268129966 /nfs/dbraw/zinc/12/99/66/1268129966.db2.gz JAZROGUVNMTMTK-QWHCGFSZSA-N 2 2 366.412 0.903 20 0 FCADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542018 1268129968 /nfs/dbraw/zinc/12/99/68/1268129968.db2.gz JAZROGUVNMTMTK-QWHCGFSZSA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542018 1268129972 /nfs/dbraw/zinc/12/99/72/1268129972.db2.gz JAZROGUVNMTMTK-QWHCGFSZSA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542018 1268129975 /nfs/dbraw/zinc/12/99/75/1268129975.db2.gz JAZROGUVNMTMTK-QWHCGFSZSA-N 2 2 366.412 0.903 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001550607813 1268140849 /nfs/dbraw/zinc/14/08/49/1268140849.db2.gz XLVSQDRPIJTPJC-RCCFBDPRSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001550607813 1268140856 /nfs/dbraw/zinc/14/08/56/1268140856.db2.gz XLVSQDRPIJTPJC-RCCFBDPRSA-N 2 2 351.491 0.999 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3COCC[C@H]3[NH3+])C2)c1 ZINC001550760237 1268164741 /nfs/dbraw/zinc/16/47/41/1268164741.db2.gz IFAKZMDLTZPLEQ-KZNAEPCWSA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3COCC[C@H]3[NH3+])C2)c1 ZINC001550760237 1268164743 /nfs/dbraw/zinc/16/47/43/1268164743.db2.gz IFAKZMDLTZPLEQ-KZNAEPCWSA-N 2 2 362.474 0.611 20 0 FCADLP CC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001339112204 1268170353 /nfs/dbraw/zinc/17/03/53/1268170353.db2.gz PRSKIYUDIZXQDT-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP CC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001339112204 1268170356 /nfs/dbraw/zinc/17/03/56/1268170356.db2.gz PRSKIYUDIZXQDT-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCC[C@H]3S(C)(=O)=O)c2)CC1 ZINC001550877594 1268179370 /nfs/dbraw/zinc/17/93/70/1268179370.db2.gz ZFLAGAKPASOACE-HUUCEWRRSA-N 2 2 366.487 0.985 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@H]1[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001551387254 1268230368 /nfs/dbraw/zinc/23/03/68/1268230368.db2.gz JAOROQLYJROFTR-MSOLQXFVSA-N 2 2 374.485 0.858 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551558941 1268270070 /nfs/dbraw/zinc/27/00/70/1268270070.db2.gz IJBKSTFCNFEZSI-GJZGRUSLSA-N 2 2 364.412 0.938 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CCO1 ZINC001551558941 1268270077 /nfs/dbraw/zinc/27/00/77/1268270077.db2.gz IJBKSTFCNFEZSI-GJZGRUSLSA-N 2 2 364.412 0.938 20 0 FCADLP Cn1nccc1[C@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001551587565 1268280025 /nfs/dbraw/zinc/28/00/25/1268280025.db2.gz PMCIXXHGMVUXIO-BBRMVZONSA-N 2 2 350.467 0.220 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936292 1268312298 /nfs/dbraw/zinc/31/22/98/1268312298.db2.gz GLFILKLPUYEIGU-MCIONIFRSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)N(c2cc(N)[nH+]cn2)C1 ZINC001551936292 1268312309 /nfs/dbraw/zinc/31/23/09/1268312309.db2.gz GLFILKLPUYEIGU-MCIONIFRSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934864 1268313302 /nfs/dbraw/zinc/31/33/02/1268313302.db2.gz CSRZDMUIJPKLAC-JJXSEGSLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934864 1268313316 /nfs/dbraw/zinc/31/33/16/1268313316.db2.gz CSRZDMUIJPKLAC-JJXSEGSLSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551941643 1268320014 /nfs/dbraw/zinc/32/00/14/1268320014.db2.gz UNVNGVCBNGQDKV-GJZGRUSLSA-N 2 2 362.478 0.501 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC001552008553 1268350901 /nfs/dbraw/zinc/35/09/01/1268350901.db2.gz BDFQRFXRHKLNHT-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC001552008556 1268350932 /nfs/dbraw/zinc/35/09/32/1268350932.db2.gz BDFQRFXRHKLNHT-XMTFNYHQSA-N 2 2 368.522 0.990 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)CCO1 ZINC001552112270 1268379274 /nfs/dbraw/zinc/37/92/74/1268379274.db2.gz ZGDVSMLKIDVJHJ-BZUAXINKSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@H]2[NH+]2CC[C@@H](O)C2)CCO1 ZINC001552112270 1268379288 /nfs/dbraw/zinc/37/92/88/1268379288.db2.gz ZGDVSMLKIDVJHJ-BZUAXINKSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC001552112270 1268379299 /nfs/dbraw/zinc/37/92/99/1268379299.db2.gz ZGDVSMLKIDVJHJ-BZUAXINKSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)CCO1 ZINC001552112270 1268379309 /nfs/dbraw/zinc/37/93/09/1268379309.db2.gz ZGDVSMLKIDVJHJ-BZUAXINKSA-N 2 2 354.495 0.384 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC001552167120 1268399556 /nfs/dbraw/zinc/39/95/56/1268399556.db2.gz MRUKMLAKAHJGEM-VNHYZAJKSA-N 2 2 359.434 0.109 20 0 FCADLP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001552215768 1268412538 /nfs/dbraw/zinc/41/25/38/1268412538.db2.gz LUHZENYHFGGHRM-HZPDHXFCSA-N 3 2 361.494 0.053 20 0 FCADLP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001552215768 1268412540 /nfs/dbraw/zinc/41/25/40/1268412540.db2.gz LUHZENYHFGGHRM-HZPDHXFCSA-N 3 2 361.494 0.053 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC001552245539 1268420297 /nfs/dbraw/zinc/42/02/97/1268420297.db2.gz GSGYHCBROMDDMN-MCIONIFRSA-N 2 2 356.467 0.948 20 0 FCADLP O=C(NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1)NC[C@@H]1COCC[NH2+]1 ZINC001552245539 1268420302 /nfs/dbraw/zinc/42/03/02/1268420302.db2.gz GSGYHCBROMDDMN-MCIONIFRSA-N 2 2 356.467 0.948 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)n1 ZINC001552310498 1268438273 /nfs/dbraw/zinc/43/82/73/1268438273.db2.gz CNYIKQALBFXHQT-RRFJBIMHSA-N 2 2 367.519 0.992 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)n1 ZINC001552310498 1268438279 /nfs/dbraw/zinc/43/82/79/1268438279.db2.gz CNYIKQALBFXHQT-RRFJBIMHSA-N 2 2 367.519 0.992 20 0 FCADLP CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001552335911 1268443434 /nfs/dbraw/zinc/44/34/34/1268443434.db2.gz AGYKIRXYZDMVID-GVDBMIGSSA-N 2 2 354.495 0.635 20 0 FCADLP CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001552335917 1268443593 /nfs/dbraw/zinc/44/35/93/1268443593.db2.gz AGYKIRXYZDMVID-YESZJQIVSA-N 2 2 354.495 0.635 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001580499864 1278409841 /nfs/dbraw/zinc/40/98/41/1278409841.db2.gz UGNXVHOPPNNFQR-JTQLQIEISA-N 2 2 372.408 0.874 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580499939 1278409936 /nfs/dbraw/zinc/40/99/36/1278409936.db2.gz XIPKYBABCPUIPD-NSHDSACASA-N 2 2 354.418 0.735 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001552367460 1268450479 /nfs/dbraw/zinc/45/04/79/1268450479.db2.gz MKHMXKMJJBEAPU-BBRMVZONSA-N 2 2 374.449 0.320 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001340150018 1268450465 /nfs/dbraw/zinc/45/04/65/1268450465.db2.gz FPBONSCQKFDYET-INIZCTEOSA-N 2 2 352.504 0.882 20 0 FCADLP Cc1c(C(=O)N(C)CC[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552427378 1268460212 /nfs/dbraw/zinc/46/02/12/1268460212.db2.gz CKQLNGYFFQYTKR-YDHLFZDLSA-N 2 2 350.467 0.302 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001580502213 1278412979 /nfs/dbraw/zinc/41/29/79/1278412979.db2.gz SBOWUQYNGCYQDM-SNVBAGLBSA-N 2 2 372.408 0.874 20 0 FCADLP CC(C)(CNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC001552690298 1268522056 /nfs/dbraw/zinc/52/20/56/1268522056.db2.gz DHGXATCLBWBKFN-UKRRQHHQSA-N 2 2 350.467 0.561 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](CCCF)CC2)n1 ZINC001552711955 1268530725 /nfs/dbraw/zinc/53/07/25/1268530725.db2.gz LZZYBZYOVSMPMH-OAHLLOKOSA-N 2 2 353.442 0.104 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](CCCF)CC2)n1 ZINC001552711955 1268530726 /nfs/dbraw/zinc/53/07/26/1268530726.db2.gz LZZYBZYOVSMPMH-OAHLLOKOSA-N 2 2 353.442 0.104 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813735 1268553969 /nfs/dbraw/zinc/55/39/69/1268553969.db2.gz SARABVXYFVBLIS-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP C[N@H+]1CCC[C@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC001552813735 1268553976 /nfs/dbraw/zinc/55/39/76/1268553976.db2.gz SARABVXYFVBLIS-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001552813735 1268553983 /nfs/dbraw/zinc/55/39/83/1268553983.db2.gz SARABVXYFVBLIS-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC[C@H]1CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001552813735 1268553988 /nfs/dbraw/zinc/55/39/88/1268553988.db2.gz SARABVXYFVBLIS-MAUKXSAKSA-N 2 2 354.495 0.386 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552838398 1268556575 /nfs/dbraw/zinc/55/65/75/1268556575.db2.gz MCJBLENUJDUALN-JGVFFNPUSA-N 2 2 350.320 0.477 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552855327 1268560610 /nfs/dbraw/zinc/56/06/10/1268560610.db2.gz WPKZPSNFWPFFQQ-IIAWOOMASA-N 2 2 350.467 0.561 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552855327 1268560615 /nfs/dbraw/zinc/56/06/15/1268560615.db2.gz WPKZPSNFWPFFQQ-IIAWOOMASA-N 2 2 350.467 0.561 20 0 FCADLP C[C@H]1C[NH+](CCN(C)C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC001552912139 1268565226 /nfs/dbraw/zinc/56/52/26/1268565226.db2.gz YRBZRHBLAWVOTQ-HOTGVXAUSA-N 2 2 361.490 0.672 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001553056978 1268586899 /nfs/dbraw/zinc/58/68/99/1268586899.db2.gz JTUGZZWYGLZXSF-ROUUACIJSA-N 2 2 360.458 0.610 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553117448 1268593591 /nfs/dbraw/zinc/59/35/91/1268593591.db2.gz VAZVNXSBSJZBBZ-BRSBDYLESA-N 2 2 351.491 0.951 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553117448 1268593594 /nfs/dbraw/zinc/59/35/94/1268593594.db2.gz VAZVNXSBSJZBBZ-BRSBDYLESA-N 2 2 351.491 0.951 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC001553140892 1268597740 /nfs/dbraw/zinc/59/77/40/1268597740.db2.gz RLUUSEODIDCSJC-DLBZAZTESA-N 2 2 368.522 0.008 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC001553140892 1268597743 /nfs/dbraw/zinc/59/77/43/1268597743.db2.gz RLUUSEODIDCSJC-DLBZAZTESA-N 2 2 368.522 0.008 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[C@@H]2n2cc[nH+]c2)n1 ZINC001553171641 1268603161 /nfs/dbraw/zinc/60/31/61/1268603161.db2.gz JZZATFWYFIAINV-JYJNAYRXSA-N 2 2 358.446 0.707 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N[C@H]2CCC[C@@H]2n2cc[nH+]c2)n1 ZINC001553171641 1268603171 /nfs/dbraw/zinc/60/31/71/1268603171.db2.gz JZZATFWYFIAINV-JYJNAYRXSA-N 2 2 358.446 0.707 20 0 FCADLP C[N@@H+]1CC[C@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368422 1268639116 /nfs/dbraw/zinc/63/91/16/1268639116.db2.gz GSMLDZOJIHQKEZ-XLIONFOSSA-N 3 2 364.534 0.679 20 0 FCADLP C[N@H+]1CC[C@]2(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[NH2+]C[C@@H]2C1 ZINC001553368422 1268639118 /nfs/dbraw/zinc/63/91/18/1268639118.db2.gz GSMLDZOJIHQKEZ-XLIONFOSSA-N 3 2 364.534 0.679 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)cc2)CC1 ZINC001553403745 1268645819 /nfs/dbraw/zinc/64/58/19/1268645819.db2.gz ALZLEJZLLYVVSB-GBESFXJTSA-N 2 2 372.469 0.809 20 0 FCADLP O=C(C[C@]1(O)CCC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001340766317 1268649000 /nfs/dbraw/zinc/64/90/00/1268649000.db2.gz AFIDGZUPTBJJLN-QGZVFWFLSA-N 2 2 350.488 0.756 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)nc[nH+]1 ZINC001553455677 1268654026 /nfs/dbraw/zinc/65/40/26/1268654026.db2.gz BUWJEXHTFLPTKT-PMUMKWKESA-N 2 2 359.478 0.928 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)[nH+]cn1 ZINC001553455677 1268654036 /nfs/dbraw/zinc/65/40/36/1268654036.db2.gz BUWJEXHTFLPTKT-PMUMKWKESA-N 2 2 359.478 0.928 20 0 FCADLP O=C(NC[C@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553529264 1268663699 /nfs/dbraw/zinc/66/36/99/1268663699.db2.gz JSOLGYRTDGBYJU-PKOBYXMFSA-N 2 2 358.490 0.879 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001340803987 1268664100 /nfs/dbraw/zinc/66/41/00/1268664100.db2.gz YHNNNEPTFJBMLA-LSDHHAIUSA-N 2 2 365.478 0.028 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)n1 ZINC001553533186 1268666224 /nfs/dbraw/zinc/66/62/24/1268666224.db2.gz ZZKQFBLKSCJTHR-CYBMUJFWSA-N 2 2 353.492 0.854 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C(F)(F)F ZINC001340822465 1268669526 /nfs/dbraw/zinc/66/95/26/1268669526.db2.gz JBBHPCJGPOSOGK-DGAVXFQQSA-N 2 2 365.396 0.462 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001341117937 1268792109 /nfs/dbraw/zinc/79/21/09/1268792109.db2.gz WONCWGAFBSPYQR-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC(C)(O)CC3)CC2)CC1 ZINC001341148696 1268809001 /nfs/dbraw/zinc/80/90/01/1268809001.db2.gz UFGDACKNJWDHCK-UHFFFAOYSA-N 2 2 366.506 0.035 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001341731982 1269175798 /nfs/dbraw/zinc/17/57/98/1269175798.db2.gz GWEGRAJIGNKQGA-ZJIFWQFVSA-N 2 2 359.474 0.630 20 0 FCADLP CCOC(=O)c1cnn2cc(C[NH2+]C3(CCO)CC[NH+](C)CC3)cnc12 ZINC001560739889 1269206558 /nfs/dbraw/zinc/20/65/58/1269206558.db2.gz WMIKQUAKMGIQET-UHFFFAOYSA-N 2 2 361.446 0.842 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001565881566 1269500074 /nfs/dbraw/zinc/50/00/74/1269500074.db2.gz XNUQEUFVVDMZIB-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001565881566 1269500082 /nfs/dbraw/zinc/50/00/82/1269500082.db2.gz XNUQEUFVVDMZIB-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001565881566 1269500085 /nfs/dbraw/zinc/50/00/85/1269500085.db2.gz XNUQEUFVVDMZIB-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001565881566 1269500092 /nfs/dbraw/zinc/50/00/92/1269500092.db2.gz XNUQEUFVVDMZIB-RCCFBDPRSA-N 2 2 358.486 0.801 20 0 FCADLP CN(CC[N@H+](C)CCCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568496462 1269735961 /nfs/dbraw/zinc/73/59/61/1269735961.db2.gz VPCNSLNMULWRPT-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP CN(CC[N@@H+](C)CCCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568496462 1269735968 /nfs/dbraw/zinc/73/59/68/1269735968.db2.gz VPCNSLNMULWRPT-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001343070817 1269756806 /nfs/dbraw/zinc/75/68/06/1269756806.db2.gz UISNVUMPFMNPQS-INIZCTEOSA-N 2 2 374.485 0.746 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC001580584213 1278525429 /nfs/dbraw/zinc/52/54/29/1278525429.db2.gz XERMUYIKHFNAMQ-MRXNPFEDSA-N 2 2 352.479 0.705 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001344162763 1270106105 /nfs/dbraw/zinc/10/61/05/1270106105.db2.gz YWDIKQYGLGPRPY-BZUAXINKSA-N 2 2 370.457 0.788 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001344741458 1270230241 /nfs/dbraw/zinc/23/02/41/1270230241.db2.gz GCCHIBIPRNWJRI-DLBZAZTESA-N 2 2 373.501 0.898 20 0 FCADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574039164 1271021968 /nfs/dbraw/zinc/02/19/68/1271021968.db2.gz RMTGZBIMJLYFJZ-MRXNPFEDSA-N 2 2 368.445 0.994 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574255363 1271125435 /nfs/dbraw/zinc/12/54/35/1271125435.db2.gz PPGLRGZTJAZSQC-OKILXGFUSA-N 2 2 370.461 0.497 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001574255363 1271125439 /nfs/dbraw/zinc/12/54/39/1271125439.db2.gz PPGLRGZTJAZSQC-OKILXGFUSA-N 2 2 370.461 0.497 20 0 FCADLP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574612424 1271419318 /nfs/dbraw/zinc/41/93/18/1271419318.db2.gz OLVYNPOYICHGAT-LBPRGKRZSA-N 2 2 369.433 0.357 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574671434 1271473473 /nfs/dbraw/zinc/47/34/73/1271473473.db2.gz OAVPSJXOTOBPLH-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574671434 1271473477 /nfs/dbraw/zinc/47/34/77/1271473477.db2.gz OAVPSJXOTOBPLH-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CCCC1 ZINC001574781894 1271517017 /nfs/dbraw/zinc/51/70/17/1271517017.db2.gz PKQIGXYJFRPBIR-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)C[NH+]1CCCC1 ZINC001574781894 1271517028 /nfs/dbraw/zinc/51/70/28/1271517028.db2.gz PKQIGXYJFRPBIR-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cc[nH+]c1 ZINC001574782031 1271517902 /nfs/dbraw/zinc/51/79/02/1271517902.db2.gz RZRQMRYZFOVVOC-LLVKDONJSA-N 2 2 360.447 0.761 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cc[nH+]c1 ZINC001574782031 1271517908 /nfs/dbraw/zinc/51/79/08/1271517908.db2.gz RZRQMRYZFOVVOC-LLVKDONJSA-N 2 2 360.447 0.761 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574805440 1271546933 /nfs/dbraw/zinc/54/69/33/1271546933.db2.gz SMXLCSQXMDEWAZ-SWLSCSKDSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574805440 1271546938 /nfs/dbraw/zinc/54/69/38/1271546938.db2.gz SMXLCSQXMDEWAZ-SWLSCSKDSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)(C)OC(=O)[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]CCO1 ZINC001575148399 1271749192 /nfs/dbraw/zinc/74/91/92/1271749192.db2.gz GZQKJUVAEHXXFP-KDOFPFPSSA-N 2 2 353.463 0.383 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001575233692 1271836133 /nfs/dbraw/zinc/83/61/33/1271836133.db2.gz VJNJMAYYKVTGKT-CQSZACIVSA-N 2 2 355.483 0.718 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCc2cn[nH]n2)C1 ZINC001575295945 1271884424 /nfs/dbraw/zinc/88/44/24/1271884424.db2.gz MXYZSKNFVDBXOY-MRXNPFEDSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575295945 1271884436 /nfs/dbraw/zinc/88/44/36/1271884436.db2.gz MXYZSKNFVDBXOY-MRXNPFEDSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC001575295945 1271884452 /nfs/dbraw/zinc/88/44/52/1271884452.db2.gz MXYZSKNFVDBXOY-MRXNPFEDSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575295945 1271884458 /nfs/dbraw/zinc/88/44/58/1271884458.db2.gz MXYZSKNFVDBXOY-MRXNPFEDSA-N 2 2 364.494 0.286 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@](CO)([NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001575423030 1272086169 /nfs/dbraw/zinc/08/61/69/1272086169.db2.gz ZEKLJAAEBMDZHD-GOSISDBHSA-N 2 2 364.494 0.368 20 0 FCADLP C[C@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@H+](CCc2cn[nH]n2)C1 ZINC001575997917 1272676019 /nfs/dbraw/zinc/67/60/19/1272676019.db2.gz DDAXMJXAOJPUDU-SFHVURJKSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@@H+](CCc2cn[nH]n2)C1 ZINC001575997917 1272676030 /nfs/dbraw/zinc/67/60/30/1272676030.db2.gz DDAXMJXAOJPUDU-SFHVURJKSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@H+](CCc2c[nH]nn2)C1 ZINC001575997917 1272676038 /nfs/dbraw/zinc/67/60/38/1272676038.db2.gz DDAXMJXAOJPUDU-SFHVURJKSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@]1(NC(=O)CCCC[NH+]2CCOCC2)CC[N@@H+](CCc2c[nH]nn2)C1 ZINC001575997917 1272676049 /nfs/dbraw/zinc/67/60/49/1272676049.db2.gz DDAXMJXAOJPUDU-SFHVURJKSA-N 2 2 364.494 0.430 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576019820 1272720023 /nfs/dbraw/zinc/72/00/23/1272720023.db2.gz QHCASAQXLGTLJM-NWDGAFQWSA-N 2 2 372.458 0.904 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021108 1272723184 /nfs/dbraw/zinc/72/31/84/1272723184.db2.gz XAMYPDHPJHXLFP-LRDDRELGSA-N 2 2 366.429 0.912 20 0 FCADLP CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC001576321990 1273131813 /nfs/dbraw/zinc/13/18/13/1273131813.db2.gz TUJJSJPNDYQFQO-ZBFHGGJFSA-N 2 2 350.467 0.244 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001576479835 1273319410 /nfs/dbraw/zinc/31/94/10/1273319410.db2.gz LPWGOFCWTPMDDQ-KRWDZBQOSA-N 2 2 363.510 0.255 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001576479835 1273319417 /nfs/dbraw/zinc/31/94/17/1273319417.db2.gz LPWGOFCWTPMDDQ-KRWDZBQOSA-N 2 2 363.510 0.255 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499051 1273359257 /nfs/dbraw/zinc/35/92/57/1273359257.db2.gz HNKVZEFJLGLQMN-TZMCWYRMSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@H](C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001576500607 1273365084 /nfs/dbraw/zinc/36/50/84/1273365084.db2.gz ZAECODKKMQEYAH-CQSZACIVSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C)[NH+](C)C ZINC001576500533 1273365288 /nfs/dbraw/zinc/36/52/88/1273365288.db2.gz YERFTVHZZGXGAE-ZFWWWQNUSA-N 2 2 372.477 0.933 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501097 1273365425 /nfs/dbraw/zinc/36/54/25/1273365425.db2.gz UUMPWHFCHMQNEF-ZFWWWQNUSA-N 2 2 372.477 0.935 20 0 FCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576507116 1273377999 /nfs/dbraw/zinc/37/79/99/1273377999.db2.gz VWJAFNISWXKTLU-HNNXBMFYSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)[NH+](C)C ZINC001576507116 1273378005 /nfs/dbraw/zinc/37/80/05/1273378005.db2.gz VWJAFNISWXKTLU-HNNXBMFYSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001576512059 1273387803 /nfs/dbraw/zinc/38/78/03/1273387803.db2.gz JYTVVGNNELRKSB-COMQUAJESA-N 2 2 356.434 0.153 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557711 1273436160 /nfs/dbraw/zinc/43/61/60/1273436160.db2.gz SVAFHPXPQDDIJM-WBVHZDCISA-N 2 2 350.467 0.122 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576557711 1273436163 /nfs/dbraw/zinc/43/61/63/1273436163.db2.gz SVAFHPXPQDDIJM-WBVHZDCISA-N 2 2 350.467 0.122 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558037 1273439428 /nfs/dbraw/zinc/43/94/28/1273439428.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCc2cn[nH]n2)C1 ZINC001576558037 1273439431 /nfs/dbraw/zinc/43/94/31/1273439431.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCc2cn[nH]n2)C1 ZINC001576558037 1273439436 /nfs/dbraw/zinc/43/94/36/1273439436.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCc2cn[nH]n2)C1 ZINC001576558037 1273439442 /nfs/dbraw/zinc/43/94/42/1273439442.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558037 1273439445 /nfs/dbraw/zinc/43/94/45/1273439445.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCc2c[nH]nn2)C1 ZINC001576558037 1273439448 /nfs/dbraw/zinc/43/94/48/1273439448.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCc2c[nH]nn2)C1 ZINC001576558037 1273439450 /nfs/dbraw/zinc/43/94/50/1273439450.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCc2c[nH]nn2)C1 ZINC001576558037 1273439459 /nfs/dbraw/zinc/43/94/59/1273439459.db2.gz VHJQVGYYXRSMED-ZACQAIPSSA-N 2 2 362.478 0.133 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580718447 1278790938 /nfs/dbraw/zinc/79/09/38/1278790938.db2.gz JGAHLONXVVOCEP-UHFFFAOYSA-N 2 2 354.458 0.730 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1)CC(C)(C)C ZINC001576763128 1273638416 /nfs/dbraw/zinc/63/84/16/1273638416.db2.gz ZYMWUVACBVORSR-HNNXBMFYSA-N 2 2 364.494 0.285 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1)CC(C)(C)C ZINC001576763128 1273638428 /nfs/dbraw/zinc/63/84/28/1273638428.db2.gz ZYMWUVACBVORSR-HNNXBMFYSA-N 2 2 364.494 0.285 20 0 FCADLP CN(CC(C)(C)C[NH2+]CCc1c[nH]nn1)C(=O)CC[NH+]1CCOCC1 ZINC001576764604 1273640871 /nfs/dbraw/zinc/64/08/71/1273640871.db2.gz OPWWMKNEYKWYLR-UHFFFAOYSA-N 2 2 352.483 0.144 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@H](C)O1 ZINC001576798871 1273705486 /nfs/dbraw/zinc/70/54/86/1273705486.db2.gz XTYAGRKKESYZHG-STQMWFEESA-N 2 2 350.467 0.996 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc3n(n2)CC[NH2+]C3)C[C@@H](C)O1 ZINC001576798870 1273706029 /nfs/dbraw/zinc/70/60/29/1273706029.db2.gz XTYAGRKKESYZHG-CHWSQXEVSA-N 2 2 350.467 0.996 20 0 FCADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576812124 1273724411 /nfs/dbraw/zinc/72/44/11/1273724411.db2.gz IOEVITZYYKDLGD-CYBMUJFWSA-N 2 2 369.433 0.586 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576834358 1273762616 /nfs/dbraw/zinc/76/26/16/1273762616.db2.gz DUDIQCBQUVQNGN-GFCCVEGCSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCSCC1 ZINC001576862845 1273826487 /nfs/dbraw/zinc/82/64/87/1273826487.db2.gz WJNMEPVATSLCBZ-CABCVRRESA-N 2 2 366.535 0.977 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCSCC1 ZINC001576862845 1273826500 /nfs/dbraw/zinc/82/65/00/1273826500.db2.gz WJNMEPVATSLCBZ-CABCVRRESA-N 2 2 366.535 0.977 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1cnn[nH]1 ZINC001577165640 1274210957 /nfs/dbraw/zinc/21/09/57/1274210957.db2.gz IPNXFQGOHXCEGL-MLGOLLRUSA-N 2 2 352.402 0.636 20 0 FCADLP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCCC1 ZINC001577476745 1274432814 /nfs/dbraw/zinc/43/28/14/1274432814.db2.gz BTLYWZUGJVFSMW-CQSZACIVSA-N 2 2 372.477 0.866 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577550444 1274489875 /nfs/dbraw/zinc/48/98/75/1274489875.db2.gz GNUNUDYIJYILGA-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001577550444 1274489878 /nfs/dbraw/zinc/48/98/78/1274489878.db2.gz GNUNUDYIJYILGA-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562963 1274516324 /nfs/dbraw/zinc/51/63/24/1274516324.db2.gz IYHGUJKCKKCLBS-HNNXBMFYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562963 1274516328 /nfs/dbraw/zinc/51/63/28/1274516328.db2.gz IYHGUJKCKKCLBS-HNNXBMFYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562963 1274516334 /nfs/dbraw/zinc/51/63/34/1274516334.db2.gz IYHGUJKCKKCLBS-HNNXBMFYSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001577562963 1274516336 /nfs/dbraw/zinc/51/63/36/1274516336.db2.gz IYHGUJKCKKCLBS-HNNXBMFYSA-N 2 2 357.462 0.899 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@H+](CCc4c[nH]nn4)C[C@H]31)CC2 ZINC001577571695 1274536918 /nfs/dbraw/zinc/53/69/18/1274536918.db2.gz HVTRIVFVWSBZLK-IIDMSEBBSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@@H+](CCc4c[nH]nn4)C[C@H]31)CC2 ZINC001577571695 1274536922 /nfs/dbraw/zinc/53/69/22/1274536922.db2.gz HVTRIVFVWSBZLK-IIDMSEBBSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@H+](CCc4cn[nH]n4)C[C@H]31)CC2 ZINC001577571695 1274536930 /nfs/dbraw/zinc/53/69/30/1274536930.db2.gz HVTRIVFVWSBZLK-IIDMSEBBSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@H]3CC[N@@H+](CCc4cn[nH]n4)C[C@H]31)CC2 ZINC001577571695 1274536933 /nfs/dbraw/zinc/53/69/33/1274536933.db2.gz HVTRIVFVWSBZLK-IIDMSEBBSA-N 2 2 369.473 0.647 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1cn[nH]n1 ZINC001577872858 1275063117 /nfs/dbraw/zinc/06/31/17/1275063117.db2.gz OJCBBPJVQTVMBT-IAGOWNOFSA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1cn[nH]n1 ZINC001577872858 1275063122 /nfs/dbraw/zinc/06/31/22/1275063122.db2.gz OJCBBPJVQTVMBT-IAGOWNOFSA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1c[nH]nn1 ZINC001577872858 1275063130 /nfs/dbraw/zinc/06/31/30/1275063130.db2.gz OJCBBPJVQTVMBT-IAGOWNOFSA-N 2 2 362.478 0.135 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1c[nH]nn1 ZINC001577872858 1275063137 /nfs/dbraw/zinc/06/31/37/1275063137.db2.gz OJCBBPJVQTVMBT-IAGOWNOFSA-N 2 2 362.478 0.135 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888740 1275097389 /nfs/dbraw/zinc/09/73/89/1275097389.db2.gz VEMQKLGSSZXHGY-QGZVFWFLSA-N 2 2 358.450 0.689 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@@H](C[NH2+]CCc2cn[nH]n2)C1 ZINC001577963563 1275187974 /nfs/dbraw/zinc/18/79/74/1275187974.db2.gz NTFJBCNMLHZVLP-HUUCEWRRSA-N 2 2 371.489 0.997 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001578027090 1275300151 /nfs/dbraw/zinc/30/01/51/1275300151.db2.gz BOYPZWXVOSWGKE-OAHLLOKOSA-N 2 2 373.461 0.825 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H]1C[NH2+]CCc1c[nH]nn1 ZINC001578027090 1275300157 /nfs/dbraw/zinc/30/01/57/1275300157.db2.gz BOYPZWXVOSWGKE-OAHLLOKOSA-N 2 2 373.461 0.825 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)([NH+]2CCOCC2)C1 ZINC001578087829 1275390684 /nfs/dbraw/zinc/39/06/84/1275390684.db2.gz UHYDLWIJALRQHO-KGFUMZNHSA-N 2 2 352.479 0.021 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1C ZINC001578109760 1275410520 /nfs/dbraw/zinc/41/05/20/1275410520.db2.gz HCTHJKPLRJTCJO-UHFFFAOYSA-N 2 2 369.433 0.458 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)CCn1cc[nH+]c1 ZINC001578110046 1275411999 /nfs/dbraw/zinc/41/19/99/1275411999.db2.gz SQPKQHVGMCWSIJ-UHFFFAOYSA-N 2 2 369.433 0.539 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)Cc1[nH]c[nH+]c1C ZINC001578136656 1275436353 /nfs/dbraw/zinc/43/63/53/1275436353.db2.gz UTSNYXUDDOGQFV-UHFFFAOYSA-N 2 2 355.406 0.218 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219673 1275516255 /nfs/dbraw/zinc/51/62/55/1275516255.db2.gz OTAXYWVIZLHYIJ-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219673 1275516259 /nfs/dbraw/zinc/51/62/59/1275516259.db2.gz OTAXYWVIZLHYIJ-WFASDCNBSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219671 1275516479 /nfs/dbraw/zinc/51/64/79/1275516479.db2.gz OTAXYWVIZLHYIJ-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219671 1275516485 /nfs/dbraw/zinc/51/64/85/1275516485.db2.gz OTAXYWVIZLHYIJ-IUODEOHRSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219672 1275517063 /nfs/dbraw/zinc/51/70/63/1275517063.db2.gz OTAXYWVIZLHYIJ-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578219672 1275517069 /nfs/dbraw/zinc/51/70/69/1275517069.db2.gz OTAXYWVIZLHYIJ-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578471578 1275883824 /nfs/dbraw/zinc/88/38/24/1275883824.db2.gz UPAPKHFJZXEKEI-GXTWGEPZSA-N 2 2 358.450 0.544 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001578616906 1276053030 /nfs/dbraw/zinc/05/30/30/1276053030.db2.gz XQMZBBNKRKWQPU-HRCADAONSA-N 2 2 364.494 0.301 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001578616906 1276053037 /nfs/dbraw/zinc/05/30/37/1276053037.db2.gz XQMZBBNKRKWQPU-HRCADAONSA-N 2 2 364.494 0.301 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001578686641 1276143093 /nfs/dbraw/zinc/14/30/93/1276143093.db2.gz WYDCIVFDQDVQES-GFCCVEGCSA-N 2 2 369.433 0.622 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578882947 1276413280 /nfs/dbraw/zinc/41/32/80/1276413280.db2.gz KETQQJQMFGRBIB-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578882947 1276413282 /nfs/dbraw/zinc/41/32/82/1276413282.db2.gz KETQQJQMFGRBIB-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)C(=O)CC[NH+](C)C ZINC001578973215 1276519369 /nfs/dbraw/zinc/51/93/69/1276519369.db2.gz JISFJAYYMOOTNP-GFCCVEGCSA-N 2 2 363.491 0.913 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)C(=O)CC[NH+](C)C ZINC001578973215 1276519373 /nfs/dbraw/zinc/51/93/73/1276519373.db2.gz JISFJAYYMOOTNP-GFCCVEGCSA-N 2 2 363.491 0.913 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001578983129 1276547775 /nfs/dbraw/zinc/54/77/75/1276547775.db2.gz CHDFTZZTLAKFTP-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578986998 1276554861 /nfs/dbraw/zinc/55/48/61/1276554861.db2.gz BTPKXOQRPURFHS-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001578986998 1276554865 /nfs/dbraw/zinc/55/48/65/1276554865.db2.gz BTPKXOQRPURFHS-GFCCVEGCSA-N 2 2 363.491 0.961 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001579059246 1276665228 /nfs/dbraw/zinc/66/52/28/1276665228.db2.gz QJMUCGLSVFUWKC-CABCVRRESA-N 2 2 358.483 0.090 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579089040 1276722547 /nfs/dbraw/zinc/72/25/47/1276722547.db2.gz NMNQHOWRCOYIAT-ZDUSSCGKSA-N 2 2 367.417 0.443 20 0 FCADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579255947 1277051229 /nfs/dbraw/zinc/05/12/29/1277051229.db2.gz LGBZTUULUKMKHT-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579255947 1277051230 /nfs/dbraw/zinc/05/12/30/1277051230.db2.gz LGBZTUULUKMKHT-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001579341174 1277189359 /nfs/dbraw/zinc/18/93/59/1277189359.db2.gz YJFMVKMVOIDOLR-AWEZNQCLSA-N 2 2 350.444 0.428 20 0 FCADLP C[S@@](=O)C1(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001579354637 1277217373 /nfs/dbraw/zinc/21/73/73/1277217373.db2.gz LMUQVBRIXJMVRJ-OYLFLEFRSA-N 2 2 353.463 0.799 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355963 1277219514 /nfs/dbraw/zinc/21/95/14/1277219514.db2.gz GRHWTMQBLHUZPE-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355963 1277219520 /nfs/dbraw/zinc/21/95/20/1277219520.db2.gz GRHWTMQBLHUZPE-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355963 1277219527 /nfs/dbraw/zinc/21/95/27/1277219527.db2.gz GRHWTMQBLHUZPE-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579355963 1277219531 /nfs/dbraw/zinc/21/95/31/1277219531.db2.gz GRHWTMQBLHUZPE-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356766 1277222574 /nfs/dbraw/zinc/22/25/74/1277222574.db2.gz MVBNSBYVXAMWMP-HUUCEWRRSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356766 1277222575 /nfs/dbraw/zinc/22/25/75/1277222575.db2.gz MVBNSBYVXAMWMP-HUUCEWRRSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358885 1277228708 /nfs/dbraw/zinc/22/87/08/1277228708.db2.gz LEVLWRZPQRILFR-XJKSGUPXSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358885 1277228710 /nfs/dbraw/zinc/22/87/10/1277228710.db2.gz LEVLWRZPQRILFR-XJKSGUPXSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359673 1277232810 /nfs/dbraw/zinc/23/28/10/1277232810.db2.gz ZONGVAIYYGOFFI-MRXNPFEDSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359673 1277232813 /nfs/dbraw/zinc/23/28/13/1277232813.db2.gz ZONGVAIYYGOFFI-MRXNPFEDSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361012 1277235307 /nfs/dbraw/zinc/23/53/07/1277235307.db2.gz LJBNEQSUGFXLIO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361012 1277235308 /nfs/dbraw/zinc/23/53/08/1277235308.db2.gz LJBNEQSUGFXLIO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361012 1277235312 /nfs/dbraw/zinc/23/53/12/1277235312.db2.gz LJBNEQSUGFXLIO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361012 1277235313 /nfs/dbraw/zinc/23/53/13/1277235313.db2.gz LJBNEQSUGFXLIO-XJKSGUPXSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366035 1277246527 /nfs/dbraw/zinc/24/65/27/1277246527.db2.gz NCZNWQJZDWALLJ-IUODEOHRSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366035 1277246531 /nfs/dbraw/zinc/24/65/31/1277246531.db2.gz NCZNWQJZDWALLJ-IUODEOHRSA-N 2 2 356.434 0.441 20 0 FCADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001579613804 1277654685 /nfs/dbraw/zinc/65/46/85/1277654685.db2.gz MYNYQIXBTXMENB-KRWDZBQOSA-N 2 2 350.438 0.810 20 0 FCADLP Cc1cccc(CCCn2c([C@@H]3CCC[NH2+]3)nnc2N2CCNC(=O)C2)[nH+]1 ZINC001579759334 1277877095 /nfs/dbraw/zinc/87/70/95/1277877095.db2.gz DPXOBDULRCOQJA-INIZCTEOSA-N 2 2 369.473 0.975 20 0 FCADLP Cc1noc(C[C@@H]2CCCN(C(=O)NCC[NH+]3CCC([NH3+])CC3)C2)n1 ZINC001579920585 1277961822 /nfs/dbraw/zinc/96/18/22/1277961822.db2.gz BSYRBRWJJMIPLK-AWEZNQCLSA-N 2 2 350.467 0.765 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001580270871 1278064095 /nfs/dbraw/zinc/06/40/95/1278064095.db2.gz WOTQYBPVRSJXNR-NSHDSACASA-N 2 2 358.381 0.497 20 0 FCADLP Cc1cc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@H]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970888 1279171118 /nfs/dbraw/zinc/17/11/18/1279171118.db2.gz JNKYJXLIRHCVMQ-JSGCOSHPSA-N 2 2 370.461 0.464 20 0 FCADLP Cc1cc(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970420 1279171878 /nfs/dbraw/zinc/17/18/78/1279171878.db2.gz OQYWFWFCLWLCFS-UHFFFAOYSA-N 2 2 367.417 0.506 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581006366 1279225368 /nfs/dbraw/zinc/22/53/68/1279225368.db2.gz PREKSYDUGYFQEN-CYBMUJFWSA-N 2 2 367.417 0.210 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001581012235 1279238901 /nfs/dbraw/zinc/23/89/01/1279238901.db2.gz RFWWJTLMTKTCBM-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001581012235 1279238904 /nfs/dbraw/zinc/23/89/04/1279238904.db2.gz RFWWJTLMTKTCBM-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1cc(NC[C@H](C)CNC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013492 1279240342 /nfs/dbraw/zinc/24/03/42/1279240342.db2.gz QJHTYLQVOKQITN-NSHDSACASA-N 2 2 355.406 0.053 20 0 FCADLP Cc1cc(NC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015744 1279243517 /nfs/dbraw/zinc/24/35/17/1279243517.db2.gz CNFYSUWGSCCQCX-AWEZNQCLSA-N 2 2 367.417 0.265 20 0 FCADLP Cc1cc(NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022241 1279253096 /nfs/dbraw/zinc/25/30/96/1279253096.db2.gz XUJBXEFLXOCFAY-CYBMUJFWSA-N 2 2 367.417 0.361 20 0 FCADLP Cc1cc(N[C@H]2C[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039091 1279276573 /nfs/dbraw/zinc/27/65/73/1279276573.db2.gz JCAWJALGCWLADQ-HAQNSBGRSA-N 2 2 367.417 0.265 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581338271 1279718351 /nfs/dbraw/zinc/71/83/51/1279718351.db2.gz GBOZGCNTLJOACA-LLVKDONJSA-N 2 2 372.408 0.805 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001581444415 1279971860 /nfs/dbraw/zinc/97/18/60/1279971860.db2.gz GTRFFJYPLVAHHX-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001581444415 1279971864 /nfs/dbraw/zinc/97/18/64/1279971864.db2.gz GTRFFJYPLVAHHX-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603500966 1287392718 /nfs/dbraw/zinc/39/27/18/1287392718.db2.gz GHZBIMPIEXRGNO-LBPRGKRZSA-N 2 2 369.433 0.309 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581563493 1280139896 /nfs/dbraw/zinc/13/98/96/1280139896.db2.gz NYUIAKMGDDKWNX-LBPRGKRZSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581563493 1280139900 /nfs/dbraw/zinc/13/99/00/1280139900.db2.gz NYUIAKMGDDKWNX-LBPRGKRZSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581565458 1280145337 /nfs/dbraw/zinc/14/53/37/1280145337.db2.gz RVPXTODKZVHRTB-JOCQHMNTSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581565872 1280148527 /nfs/dbraw/zinc/14/85/27/1280148527.db2.gz APYKSZWXBLEKNZ-GFCCVEGCSA-N 2 2 369.433 0.586 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581815236 1280559603 /nfs/dbraw/zinc/55/96/03/1280559603.db2.gz ZDGYIBPBROFYFJ-XYPYZODXSA-N 2 2 372.458 0.641 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581817195 1280563253 /nfs/dbraw/zinc/56/32/53/1280563253.db2.gz YJRDYTIYZBIMSR-UHFFFAOYSA-N 2 2 366.429 0.581 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001582097253 1281052109 /nfs/dbraw/zinc/05/21/09/1281052109.db2.gz AYXQXCRQOGQIRU-XJKSGUPXSA-N 2 2 368.445 0.395 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1=CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582099353 1281055841 /nfs/dbraw/zinc/05/58/41/1281055841.db2.gz PSCFQBOBOPBBBY-UHFFFAOYSA-N 2 2 368.445 0.610 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099695 1281056729 /nfs/dbraw/zinc/05/67/29/1281056729.db2.gz YPPPJHOBKBBFJJ-CQSZACIVSA-N 2 2 370.461 0.833 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001582169049 1281133836 /nfs/dbraw/zinc/13/38/36/1281133836.db2.gz AZRDHWPJWMPRTN-GFCCVEGCSA-N 2 2 372.458 0.975 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582169037 1281134335 /nfs/dbraw/zinc/13/43/35/1281134335.db2.gz AKKGTTGDGJWZBA-OAHLLOKOSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582170625 1281137951 /nfs/dbraw/zinc/13/79/51/1281137951.db2.gz WIFRWDHCLRWVLB-UHFFFAOYSA-N 2 2 352.402 0.571 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582170072 1281138371 /nfs/dbraw/zinc/13/83/71/1281138371.db2.gz MRXVWPXXOCNTPP-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582183236 1281161085 /nfs/dbraw/zinc/16/10/85/1281161085.db2.gz YAOQFQMCORWDQK-CQSZACIVSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183926 1281163554 /nfs/dbraw/zinc/16/35/54/1281163554.db2.gz PAGQXAKQBCSLSR-CYBMUJFWSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183926 1281163557 /nfs/dbraw/zinc/16/35/57/1281163557.db2.gz PAGQXAKQBCSLSR-CYBMUJFWSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582183934 1281163630 /nfs/dbraw/zinc/16/36/30/1281163630.db2.gz PKMBXKPUXMGDPV-OKILXGFUSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582195109 1281174702 /nfs/dbraw/zinc/17/47/02/1281174702.db2.gz KWINDPKWYXNKID-CQSZACIVSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582196347 1281176785 /nfs/dbraw/zinc/17/67/85/1281176785.db2.gz HJXFPNGMGPBKLU-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582196347 1281176788 /nfs/dbraw/zinc/17/67/88/1281176788.db2.gz HJXFPNGMGPBKLU-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197071 1281180791 /nfs/dbraw/zinc/18/07/91/1281180791.db2.gz CQOZEFDETKYHLX-OAHLLOKOSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197071 1281180794 /nfs/dbraw/zinc/18/07/94/1281180794.db2.gz CQOZEFDETKYHLX-OAHLLOKOSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197394 1281181848 /nfs/dbraw/zinc/18/18/48/1281181848.db2.gz NOGIAHAOPQZUMJ-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582197394 1281181849 /nfs/dbraw/zinc/18/18/49/1281181849.db2.gz NOGIAHAOPQZUMJ-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582198110 1281184069 /nfs/dbraw/zinc/18/40/69/1281184069.db2.gz MNUJCRCHBMJLBW-BETUJISGSA-N 2 2 370.392 0.639 20 0 FCADLP CO[C@H]1COCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001635475462 1282410541 /nfs/dbraw/zinc/41/05/41/1282410541.db2.gz BPZMQDWVHWLRRZ-WBVHZDCISA-N 2 2 356.511 0.705 20 0 FCADLP CO[C@H]1COCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001635475462 1282410543 /nfs/dbraw/zinc/41/05/43/1282410543.db2.gz BPZMQDWVHWLRRZ-WBVHZDCISA-N 2 2 356.511 0.705 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001638122235 1282662118 /nfs/dbraw/zinc/66/21/18/1282662118.db2.gz MBJBNXZNSHSAJV-JKSUJKDBSA-N 2 2 365.478 0.056 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001638122235 1282662135 /nfs/dbraw/zinc/66/21/35/1282662135.db2.gz MBJBNXZNSHSAJV-JKSUJKDBSA-N 2 2 365.478 0.056 20 0 FCADLP CC(C)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589533907 1282902593 /nfs/dbraw/zinc/90/25/93/1282902593.db2.gz MWFDETRFHRVMSY-UHFFFAOYSA-N 2 2 372.477 0.936 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001589828142 1283066911 /nfs/dbraw/zinc/06/69/11/1283066911.db2.gz ALHSIQMPDXEKRR-CYBMUJFWSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590172496 1283273249 /nfs/dbraw/zinc/27/32/49/1283273249.db2.gz ASVXHGPAKPLSDV-DOMZBBRYSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590173020 1283274054 /nfs/dbraw/zinc/27/40/54/1283274054.db2.gz CCJBCOIDTHWLQS-LRDDRELGSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590174120 1283277942 /nfs/dbraw/zinc/27/79/42/1283277942.db2.gz PLUSFLQNVRFANU-SWLSCSKDSA-N 2 2 366.429 0.912 20 0 FCADLP CN(C(=O)NC[C@@]1(C)CCC(=O)N1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001681805313 1283510108 /nfs/dbraw/zinc/51/01/08/1283510108.db2.gz YVXCKDOUALFTPA-MAUKXSAKSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@@]1(C)CCC(=O)N1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001681805313 1283510115 /nfs/dbraw/zinc/51/01/15/1283510115.db2.gz YVXCKDOUALFTPA-MAUKXSAKSA-N 2 2 351.495 0.465 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001682725283 1283760789 /nfs/dbraw/zinc/76/07/89/1283760789.db2.gz JACBWVKPKLIHFM-RYQLBKOJSA-N 2 2 368.522 0.848 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001682725283 1283760800 /nfs/dbraw/zinc/76/08/00/1283760800.db2.gz JACBWVKPKLIHFM-RYQLBKOJSA-N 2 2 368.522 0.848 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCCNc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001591006240 1284068518 /nfs/dbraw/zinc/06/85/18/1284068518.db2.gz OXMHCJVGYLAECR-INIZCTEOSA-N 2 2 366.429 0.515 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001683751034 1284104047 /nfs/dbraw/zinc/10/40/47/1284104047.db2.gz GETAEZNVOGVRHI-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001683751034 1284104052 /nfs/dbraw/zinc/10/40/52/1284104052.db2.gz GETAEZNVOGVRHI-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP CN(CCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001591078528 1284146942 /nfs/dbraw/zinc/14/69/42/1284146942.db2.gz KNSBXZASJPSOAQ-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]cn1C ZINC001591083640 1284153333 /nfs/dbraw/zinc/15/33/33/1284153333.db2.gz FFMNKJJYFPIBIR-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP CN(CCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCCn1cc[nH+]c1 ZINC001591089983 1284161550 /nfs/dbraw/zinc/16/15/50/1284161550.db2.gz XKPJTDSCXUJWGD-UHFFFAOYSA-N 2 2 369.433 0.621 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001604686664 1287734146 /nfs/dbraw/zinc/73/41/46/1287734146.db2.gz TUFWYLSSALRVGN-UHFFFAOYSA-N 2 2 367.404 0.758 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001604686664 1287734155 /nfs/dbraw/zinc/73/41/55/1287734155.db2.gz TUFWYLSSALRVGN-UHFFFAOYSA-N 2 2 367.404 0.758 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001591791913 1284903842 /nfs/dbraw/zinc/90/38/42/1284903842.db2.gz YZWSNNGBLDBLOW-UHFFFAOYSA-N 2 2 360.447 0.798 20 0 FCADLP Cc1cc(NCCCN(C)C(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001592047537 1285090577 /nfs/dbraw/zinc/09/05/77/1285090577.db2.gz OMZHNLFYFNLPPD-UHFFFAOYSA-N 2 2 369.433 0.229 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592419103 1285343474 /nfs/dbraw/zinc/34/34/74/1285343474.db2.gz BJCURHZGNLTKKU-NSCUHMNNSA-N 2 2 372.458 0.895 20 0 FCADLP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@@H]1O ZINC001593538544 1286199088 /nfs/dbraw/zinc/19/90/88/1286199088.db2.gz RGXWORPTYZVVCA-BJWYYQGGSA-N 2 2 358.446 0.305 20 0 FCADLP c1nn2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cnc2c1-c1nn[nH]n1 ZINC001593590777 1286206420 /nfs/dbraw/zinc/20/64/20/1286206420.db2.gz COXKDZSWZRXZIY-CYBMUJFWSA-N 2 2 353.434 0.827 20 0 FCADLP c1nn2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cnc2c1-c1nn[nH]n1 ZINC001593590777 1286206427 /nfs/dbraw/zinc/20/64/27/1286206427.db2.gz COXKDZSWZRXZIY-CYBMUJFWSA-N 2 2 353.434 0.827 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001707218294 1287055484 /nfs/dbraw/zinc/05/54/84/1287055484.db2.gz DTEIXKUFVXBOKZ-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001707218294 1287055497 /nfs/dbraw/zinc/05/54/97/1287055497.db2.gz DTEIXKUFVXBOKZ-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001604854127 1287800477 /nfs/dbraw/zinc/80/04/77/1287800477.db2.gz NKKAHXFJXGZSQI-UHFFFAOYSA-N 2 2 371.489 0.894 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001604854127 1287800481 /nfs/dbraw/zinc/80/04/81/1287800481.db2.gz NKKAHXFJXGZSQI-UHFFFAOYSA-N 2 2 371.489 0.894 20 0 FCADLP Cc1nn(C)c(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1-c1nn[nH]n1 ZINC001606110004 1288168812 /nfs/dbraw/zinc/16/88/12/1288168812.db2.gz GYWOFVLETGITQE-UHFFFAOYSA-N 2 2 370.465 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)Cc3c[nH+]c[nH]3)CC2)CC[N@@H+]1C ZINC001721316281 1288330201 /nfs/dbraw/zinc/33/02/01/1288330201.db2.gz KLFJZDKLTYKZQK-RHSMWYFYSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)Cc3c[nH+]c[nH]3)CC2)CC[N@H+]1C ZINC001721316281 1288330206 /nfs/dbraw/zinc/33/02/06/1288330206.db2.gz KLFJZDKLTYKZQK-RHSMWYFYSA-N 2 2 361.490 0.989 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095760 1288660023 /nfs/dbraw/zinc/66/00/23/1288660023.db2.gz XZRBKUTVSFSCPQ-RBSFLKMASA-N 2 2 374.445 0.059 20 0 FCADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccccc1-c1nn[nH]n1 ZINC001607095760 1288660027 /nfs/dbraw/zinc/66/00/27/1288660027.db2.gz XZRBKUTVSFSCPQ-RBSFLKMASA-N 2 2 374.445 0.059 20 0 FCADLP O[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C[N@@H+]1CCc2ccccc2C1 ZINC001607109213 1288666812 /nfs/dbraw/zinc/66/68/12/1288666812.db2.gz BTGLEKXQBWOYBI-OAHLLOKOSA-N 2 2 351.414 0.515 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001609109983 1288924834 /nfs/dbraw/zinc/92/48/34/1288924834.db2.gz MGMDWXRXIOXDRK-ZDUSSCGKSA-N 2 2 358.450 0.431 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001609227400 1288998868 /nfs/dbraw/zinc/99/88/68/1288998868.db2.gz UFGFZBXXWVCJCF-CQSZACIVSA-N 2 2 357.462 0.851 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001609227400 1288998869 /nfs/dbraw/zinc/99/88/69/1288998869.db2.gz UFGFZBXXWVCJCF-CQSZACIVSA-N 2 2 357.462 0.851 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001609227399 1288999672 /nfs/dbraw/zinc/99/96/72/1288999672.db2.gz UFGFZBXXWVCJCF-AWEZNQCLSA-N 2 2 357.462 0.851 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001609227399 1288999678 /nfs/dbraw/zinc/99/96/78/1288999678.db2.gz UFGFZBXXWVCJCF-AWEZNQCLSA-N 2 2 357.462 0.851 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(-c2nn[nH]n2)c1 ZINC001609591826 1289249062 /nfs/dbraw/zinc/24/90/62/1289249062.db2.gz BLTWVRXNLLWKDG-CYBMUJFWSA-N 2 2 373.442 0.442 20 0 FCADLP c1cnc(N2CC[NH+](CCCNc3cc[nH+]cc3-c3nn[nH]n3)CC2)nc1 ZINC001609619152 1289264070 /nfs/dbraw/zinc/26/40/70/1289264070.db2.gz HJAMYQRONQNIRE-UHFFFAOYSA-N 2 2 366.433 0.098 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001691978448 1289354401 /nfs/dbraw/zinc/35/44/01/1289354401.db2.gz GYGSFZYZBZDGCO-XOKHGSTOSA-N 2 2 360.462 0.315 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001691978365 1289355814 /nfs/dbraw/zinc/35/58/14/1289355814.db2.gz CRVPFJOTAMVARW-JKSUJKDBSA-N 2 2 361.450 0.229 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001691978365 1289355827 /nfs/dbraw/zinc/35/58/27/1289355827.db2.gz CRVPFJOTAMVARW-JKSUJKDBSA-N 2 2 361.450 0.229 20 0 FCADLP CCO[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001692042316 1289375018 /nfs/dbraw/zinc/37/50/18/1289375018.db2.gz OPLKXWWISZFWDL-BZUAXINKSA-N 2 2 365.478 0.376 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)CC[C@@H]2C1 ZINC001692086557 1289392178 /nfs/dbraw/zinc/39/21/78/1289392178.db2.gz DETCGSOHROVWMN-FGTMMUONSA-N 2 2 362.474 0.859 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)CC[C@@H]2C1 ZINC001692086557 1289392185 /nfs/dbraw/zinc/39/21/85/1289392185.db2.gz DETCGSOHROVWMN-FGTMMUONSA-N 2 2 362.474 0.859 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([N@H+](CCO)CCCO)C1 ZINC001692242448 1289436057 /nfs/dbraw/zinc/43/60/57/1289436057.db2.gz UNHBFXDLUATFME-BZUAXINKSA-N 2 2 350.463 0.191 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1 ZINC001692242448 1289436059 /nfs/dbraw/zinc/43/60/59/1289436059.db2.gz UNHBFXDLUATFME-BZUAXINKSA-N 2 2 350.463 0.191 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(CO)cc1 ZINC001699067374 1289546803 /nfs/dbraw/zinc/54/68/03/1289546803.db2.gz SOBFVVUYFUILNB-GVDBMIGSSA-N 2 2 358.442 0.283 20 0 FCADLP Cc1csc(=O)n1CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699422216 1289553937 /nfs/dbraw/zinc/55/39/37/1289553937.db2.gz IIPPPEWGFVHHBL-IACUBPJLSA-N 2 2 363.487 0.850 20 0 FCADLP Fc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1-n1cncn1 ZINC001620787649 1290022329 /nfs/dbraw/zinc/02/23/29/1290022329.db2.gz FWXPTLJROOJAQE-QGZVFWFLSA-N 2 2 374.464 0.903 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001627690095 1290477555 /nfs/dbraw/zinc/47/75/55/1290477555.db2.gz VYHPSQQNLOPQBU-QGZVFWFLSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001627690095 1290477558 /nfs/dbraw/zinc/47/75/58/1290477558.db2.gz VYHPSQQNLOPQBU-QGZVFWFLSA-N 2 2 370.457 0.404 20 0 FCADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1C(N)=O ZINC001628813716 1290556741 /nfs/dbraw/zinc/55/67/41/1290556741.db2.gz HLTJSNRGDQGWAA-HNNXBMFYSA-N 2 2 359.474 0.729 20 0 FCADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1C(N)=O ZINC001628813716 1290556742 /nfs/dbraw/zinc/55/67/42/1290556742.db2.gz HLTJSNRGDQGWAA-HNNXBMFYSA-N 2 2 359.474 0.729 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(C(N)=O)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001754242245 1290627225 /nfs/dbraw/zinc/62/72/25/1290627225.db2.gz KZAHQEXXPUNEPL-DAXOMENPSA-N 2 2 355.442 0.917 20 0 FCADLP CN(CC(C)(C)C[NH2+]CCF)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001755282804 1290643613 /nfs/dbraw/zinc/64/36/13/1290643613.db2.gz HBTQZMPBKHMOMN-CVEARBPZSA-N 2 2 359.486 0.910 20 0 FCADLP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001757082592 1290712625 /nfs/dbraw/zinc/71/26/25/1290712625.db2.gz PYHGABVMVIXXAC-IXYNUQLISA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001757082592 1290712630 /nfs/dbraw/zinc/71/26/30/1290712630.db2.gz PYHGABVMVIXXAC-IXYNUQLISA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)CC[N@@H+]1C ZINC001759900984 1290871370 /nfs/dbraw/zinc/87/13/70/1290871370.db2.gz SBALNGRGFGJXER-IJEWVQPXSA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)CC[N@H+]1C ZINC001759900984 1290871371 /nfs/dbraw/zinc/87/13/71/1290871371.db2.gz SBALNGRGFGJXER-IJEWVQPXSA-N 2 2 359.474 0.551 20 0 FCADLP COc1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001667893173 1291948940 /nfs/dbraw/zinc/94/89/40/1291948940.db2.gz CQGRVKWVHZWQAQ-RBSFLKMASA-N 2 2 359.430 0.194 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)s1 ZINC001667894560 1291948960 /nfs/dbraw/zinc/94/89/60/1291948960.db2.gz UCZCKCUYLOPUOR-MGPQQGTHSA-N 2 2 363.487 0.864 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC001668542275 1291968421 /nfs/dbraw/zinc/96/84/21/1291968421.db2.gz FKSUBCAWCBPAAI-UHFFFAOYSA-N 2 2 368.482 0.256 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)[C@@H]3CCOC3)CC2)CC1 ZINC001676422620 1292202823 /nfs/dbraw/zinc/20/28/23/1292202823.db2.gz XRHKYKIBYUXODQ-RHSMWYFYSA-N 2 2 354.495 0.242 20 0 FCADLP CC[N@@H+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC001678668649 1292277738 /nfs/dbraw/zinc/27/77/38/1292277738.db2.gz UBNRDRPDQBCLBN-AWEZNQCLSA-N 2 2 360.524 0.231 20 0 FCADLP CC[N@H+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC001678668649 1292277745 /nfs/dbraw/zinc/27/77/45/1292277745.db2.gz UBNRDRPDQBCLBN-AWEZNQCLSA-N 2 2 360.524 0.231 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001688026853 1293037357 /nfs/dbraw/zinc/03/73/57/1293037357.db2.gz MMCADSFBZYNHCD-DRXUAVOGSA-N 2 2 361.490 0.873 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001689017108 1294567806 /nfs/dbraw/zinc/56/78/06/1294567806.db2.gz CJFZUMAMQLLSQF-LSDHHAIUSA-N 2 2 362.478 0.252 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001689019460 1294569540 /nfs/dbraw/zinc/56/95/40/1294569540.db2.gz VHZYPANEDAXIMD-CWRNSKLLSA-N 2 2 365.478 0.721 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001689077291 1294597719 /nfs/dbraw/zinc/59/77/19/1294597719.db2.gz DLDVACSNMDGSQW-BZUAXINKSA-N 2 2 363.462 0.005 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001689099685 1294617785 /nfs/dbraw/zinc/61/77/85/1294617785.db2.gz ATPYQHKIPGPSIM-OAGGEKHMSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001689099685 1294617789 /nfs/dbraw/zinc/61/77/89/1294617789.db2.gz ATPYQHKIPGPSIM-OAGGEKHMSA-N 2 2 359.536 0.590 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC(=O)NCCCOC ZINC001689178624 1294646728 /nfs/dbraw/zinc/64/67/28/1294646728.db2.gz MMKLURPDAFTLSM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC(=O)NCCCOC ZINC001689178624 1294646739 /nfs/dbraw/zinc/64/67/39/1294646739.db2.gz MMKLURPDAFTLSM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001689178624 1294646749 /nfs/dbraw/zinc/64/67/49/1294646749.db2.gz MMKLURPDAFTLSM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC(=O)NCCCOC ZINC001689178624 1294646758 /nfs/dbraw/zinc/64/67/58/1294646758.db2.gz MMKLURPDAFTLSM-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001689239662 1294701641 /nfs/dbraw/zinc/70/16/41/1294701641.db2.gz WLALGFLHOCDLIR-BBWFWOEESA-N 2 2 361.490 0.824 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001689239662 1294701647 /nfs/dbraw/zinc/70/16/47/1294701647.db2.gz WLALGFLHOCDLIR-BBWFWOEESA-N 2 2 361.490 0.824 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001689315051 1294741692 /nfs/dbraw/zinc/74/16/92/1294741692.db2.gz XMLGQCXHRRLQDT-ZBFHGGJFSA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001689315051 1294741700 /nfs/dbraw/zinc/74/17/00/1294741700.db2.gz XMLGQCXHRRLQDT-ZBFHGGJFSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC001689350315 1294768205 /nfs/dbraw/zinc/76/82/05/1294768205.db2.gz ZTQZSDCAKMOUAN-ZMTZJXIWSA-N 2 2 359.474 0.574 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC001689350315 1294768211 /nfs/dbraw/zinc/76/82/11/1294768211.db2.gz ZTQZSDCAKMOUAN-ZMTZJXIWSA-N 2 2 359.474 0.574 20 0 FCADLP Cn1nnc2c1CCN(c1cc(N)[nH+]cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714728 720195478 /nfs/dbraw/zinc/19/54/78/720195478.db2.gz HRDSUGMDENISDY-AWEZNQCLSA-N 2 2 358.450 0.404 20 0 FCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927070 721850493 /nfs/dbraw/zinc/85/04/93/721850493.db2.gz JISDKOWVSBVPAE-DLBZAZTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927070 721850494 /nfs/dbraw/zinc/85/04/94/721850494.db2.gz JISDKOWVSBVPAE-DLBZAZTESA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927070 721850495 /nfs/dbraw/zinc/85/04/95/721850495.db2.gz JISDKOWVSBVPAE-DLBZAZTESA-N 2 2 359.522 0.443 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902911 837555746 /nfs/dbraw/zinc/55/57/46/837555746.db2.gz VHBJKAWKWKDCBI-OAGGEKHMSA-N 2 2 360.487 0.976 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902911 837555752 /nfs/dbraw/zinc/55/57/52/837555752.db2.gz VHBJKAWKWKDCBI-OAGGEKHMSA-N 2 2 360.487 0.976 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902911 837555759 /nfs/dbraw/zinc/55/57/59/837555759.db2.gz VHBJKAWKWKDCBI-OAGGEKHMSA-N 2 2 360.487 0.976 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001069902911 837555765 /nfs/dbraw/zinc/55/57/65/837555765.db2.gz VHBJKAWKWKDCBI-OAGGEKHMSA-N 2 2 360.487 0.976 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077840 837614560 /nfs/dbraw/zinc/61/45/60/837614560.db2.gz NDDSYJKNAUOHCJ-IGLYHPTJSA-N 2 2 350.854 0.468 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070077840 837614562 /nfs/dbraw/zinc/61/45/62/837614562.db2.gz NDDSYJKNAUOHCJ-IGLYHPTJSA-N 2 2 350.854 0.468 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097185 837617145 /nfs/dbraw/zinc/61/71/45/837617145.db2.gz GGWPATDZKASRRC-CFVMTHIKSA-N 2 2 361.475 0.228 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097185 837617148 /nfs/dbraw/zinc/61/71/48/837617148.db2.gz GGWPATDZKASRRC-CFVMTHIKSA-N 2 2 361.475 0.228 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097185 837617152 /nfs/dbraw/zinc/61/71/52/837617152.db2.gz GGWPATDZKASRRC-CFVMTHIKSA-N 2 2 361.475 0.228 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2n2ccnn2)C1 ZINC001070097185 837617155 /nfs/dbraw/zinc/61/71/55/837617155.db2.gz GGWPATDZKASRRC-CFVMTHIKSA-N 2 2 361.475 0.228 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cscn3)[C@@H](n3ccnn3)C2)C1 ZINC001070326919 837646636 /nfs/dbraw/zinc/64/66/36/837646636.db2.gz JHWCEWKDVLXYQD-CFVMTHIKSA-N 2 2 361.475 0.228 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cscn3)[C@@H](n3ccnn3)C2)C1 ZINC001070326919 837646639 /nfs/dbraw/zinc/64/66/39/837646639.db2.gz JHWCEWKDVLXYQD-CFVMTHIKSA-N 2 2 361.475 0.228 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001071076859 837725617 /nfs/dbraw/zinc/72/56/17/837725617.db2.gz KLQGAQVPCMJOIH-KYJSFNMBSA-N 2 2 350.463 0.640 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N3CC[NH+](CC)CC3=O)C2)CC[N@@H+]1C ZINC001071265484 837737343 /nfs/dbraw/zinc/73/73/43/837737343.db2.gz JWPGJWKZXREJMA-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N3CC[NH+](CC)CC3=O)C2)CC[N@H+]1C ZINC001071265484 837737346 /nfs/dbraw/zinc/73/73/46/837737346.db2.gz JWPGJWKZXREJMA-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N3CC[N@H+](CC)CC3=O)C2)CC[NH+]1C ZINC001071265484 837737352 /nfs/dbraw/zinc/73/73/52/837737352.db2.gz JWPGJWKZXREJMA-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N3CC[N@@H+](CC)CC3=O)C2)CC[NH+]1C ZINC001071265484 837737356 /nfs/dbraw/zinc/73/73/56/837737356.db2.gz JWPGJWKZXREJMA-YESZJQIVSA-N 2 2 350.507 0.872 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341663 844033514 /nfs/dbraw/zinc/03/35/14/844033514.db2.gz OCRUEUSVVAQOPO-QJPTWQEYSA-N 2 2 360.384 0.246 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341663 844033524 /nfs/dbraw/zinc/03/35/24/844033524.db2.gz OCRUEUSVVAQOPO-QJPTWQEYSA-N 2 2 360.384 0.246 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F)N1CCC1 ZINC001099350828 844039478 /nfs/dbraw/zinc/03/94/78/844039478.db2.gz VUPHAPDXBARHOV-VXGBXAGGSA-N 2 2 359.352 0.094 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@@]2(C)C1 ZINC001101351230 844155356 /nfs/dbraw/zinc/15/53/56/844155356.db2.gz YXZKIIVRWDKWCV-DYVFJYSZSA-N 2 2 365.503 0.814 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@@]2(C)C1 ZINC001101351230 844155362 /nfs/dbraw/zinc/15/53/62/844155362.db2.gz YXZKIIVRWDKWCV-DYVFJYSZSA-N 2 2 365.503 0.814 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000823806408 836518363 /nfs/dbraw/zinc/51/83/63/836518363.db2.gz XSUIDEHLZWUISA-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000823806408 836518373 /nfs/dbraw/zinc/51/83/73/836518373.db2.gz XSUIDEHLZWUISA-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000823806408 836518382 /nfs/dbraw/zinc/51/83/82/836518382.db2.gz XSUIDEHLZWUISA-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000823806408 836518389 /nfs/dbraw/zinc/51/83/89/836518389.db2.gz XSUIDEHLZWUISA-KGLIPLIRSA-N 2 2 366.487 0.464 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448576 844189321 /nfs/dbraw/zinc/18/93/21/844189321.db2.gz BLEUQEUZENJBGH-HFTRVMKXSA-N 2 2 350.463 0.140 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101448576 844189325 /nfs/dbraw/zinc/18/93/25/844189325.db2.gz BLEUQEUZENJBGH-HFTRVMKXSA-N 2 2 350.463 0.140 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001075643915 837877101 /nfs/dbraw/zinc/87/71/01/837877101.db2.gz PEUIYXJTVURAHO-NUEKZKHPSA-N 2 2 350.488 0.549 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCc4ccns4)C[C@H]32)C1 ZINC001075643915 837877110 /nfs/dbraw/zinc/87/71/10/837877110.db2.gz PEUIYXJTVURAHO-NUEKZKHPSA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCc4ccns4)C[C@H]32)C1 ZINC001075643915 837877121 /nfs/dbraw/zinc/87/71/21/837877121.db2.gz PEUIYXJTVURAHO-NUEKZKHPSA-N 2 2 350.488 0.549 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCc4ccns4)C[C@H]32)C1 ZINC001075643915 837877128 /nfs/dbraw/zinc/87/71/28/837877128.db2.gz PEUIYXJTVURAHO-NUEKZKHPSA-N 2 2 350.488 0.549 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836814 838127174 /nfs/dbraw/zinc/12/71/74/838127174.db2.gz AJSRPNWUCRAGFW-BZUAXINKSA-N 2 2 353.488 0.173 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836814 838127180 /nfs/dbraw/zinc/12/71/80/838127180.db2.gz AJSRPNWUCRAGFW-BZUAXINKSA-N 2 2 353.488 0.173 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836814 838127187 /nfs/dbraw/zinc/12/71/87/838127187.db2.gz AJSRPNWUCRAGFW-BZUAXINKSA-N 2 2 353.488 0.173 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]2O)C1 ZINC001076836814 838127191 /nfs/dbraw/zinc/12/71/91/838127191.db2.gz AJSRPNWUCRAGFW-BZUAXINKSA-N 2 2 353.488 0.173 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001101927719 844331353 /nfs/dbraw/zinc/33/13/53/844331353.db2.gz NEDWNFXUNCVSPW-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1)CS(C)(=O)=O ZINC001101927719 844331362 /nfs/dbraw/zinc/33/13/62/844331362.db2.gz NEDWNFXUNCVSPW-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001102015590 844372788 /nfs/dbraw/zinc/37/27/88/844372788.db2.gz LLJWRCIAXXEFCL-YUELXQCFSA-N 2 2 354.474 0.977 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC001102015590 844372796 /nfs/dbraw/zinc/37/27/96/844372796.db2.gz LLJWRCIAXXEFCL-YUELXQCFSA-N 2 2 354.474 0.977 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444227 838969509 /nfs/dbraw/zinc/96/95/09/838969509.db2.gz QDONQECKKSKHMY-INMHGKMJSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444227 838969522 /nfs/dbraw/zinc/96/95/22/838969522.db2.gz QDONQECKKSKHMY-INMHGKMJSA-N 2 2 364.515 0.987 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)o1 ZINC001077675407 839101594 /nfs/dbraw/zinc/10/15/94/839101594.db2.gz MRKAIQHQBSWQDT-NWANDNLSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)o1 ZINC001077675407 839101603 /nfs/dbraw/zinc/10/16/03/839101603.db2.gz MRKAIQHQBSWQDT-NWANDNLSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)o1 ZINC001077675407 839101612 /nfs/dbraw/zinc/10/16/12/839101612.db2.gz MRKAIQHQBSWQDT-NWANDNLSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)o1 ZINC001077675407 839101622 /nfs/dbraw/zinc/10/16/22/839101622.db2.gz MRKAIQHQBSWQDT-NWANDNLSSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685281 839111729 /nfs/dbraw/zinc/11/17/29/839111729.db2.gz IYXIOLITRMAOBV-ZIAGYGMSSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685281 839111736 /nfs/dbraw/zinc/11/17/36/839111736.db2.gz IYXIOLITRMAOBV-ZIAGYGMSSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685281 839111740 /nfs/dbraw/zinc/11/17/40/839111740.db2.gz IYXIOLITRMAOBV-ZIAGYGMSSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685281 839111744 /nfs/dbraw/zinc/11/17/44/839111744.db2.gz IYXIOLITRMAOBV-ZIAGYGMSSA-N 2 2 352.504 0.845 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077685578 839112778 /nfs/dbraw/zinc/11/27/78/839112778.db2.gz WYDIPBIPMGAUFB-HUUCEWRRSA-N 2 2 352.504 0.579 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2O)C1 ZINC001077685578 839112786 /nfs/dbraw/zinc/11/27/86/839112786.db2.gz WYDIPBIPMGAUFB-HUUCEWRRSA-N 2 2 352.504 0.579 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077685578 839112790 /nfs/dbraw/zinc/11/27/90/839112790.db2.gz WYDIPBIPMGAUFB-HUUCEWRRSA-N 2 2 352.504 0.579 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)C1 ZINC001077685578 839112797 /nfs/dbraw/zinc/11/27/97/839112797.db2.gz WYDIPBIPMGAUFB-HUUCEWRRSA-N 2 2 352.504 0.579 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077697813 839119688 /nfs/dbraw/zinc/11/96/88/839119688.db2.gz AUUIGFFPMUYNNY-RGCMKSIDSA-N 2 2 354.401 0.730 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077697813 839119692 /nfs/dbraw/zinc/11/96/92/839119692.db2.gz AUUIGFFPMUYNNY-RGCMKSIDSA-N 2 2 354.401 0.730 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001077778751 839153573 /nfs/dbraw/zinc/15/35/73/839153573.db2.gz ZWYCJLBMHCTPPA-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001077778751 839153577 /nfs/dbraw/zinc/15/35/77/839153577.db2.gz ZWYCJLBMHCTPPA-HZPDHXFCSA-N 2 2 350.463 0.685 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109699 844418177 /nfs/dbraw/zinc/41/81/77/844418177.db2.gz YABYRRDGJZDOHK-CHWSQXEVSA-N 2 2 351.451 0.170 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109699 844418181 /nfs/dbraw/zinc/41/81/81/844418181.db2.gz YABYRRDGJZDOHK-CHWSQXEVSA-N 2 2 351.451 0.170 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978761 839266555 /nfs/dbraw/zinc/26/65/55/839266555.db2.gz NXTVEEZHZOFHLO-IAGOWNOFSA-N 2 2 364.515 0.926 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978761 839266568 /nfs/dbraw/zinc/26/65/68/839266568.db2.gz NXTVEEZHZOFHLO-IAGOWNOFSA-N 2 2 364.515 0.926 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001078080721 839323729 /nfs/dbraw/zinc/32/37/29/839323729.db2.gz BITXJBDUXKWAAD-IXDOHACOSA-N 2 2 350.463 0.363 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001078080721 839323747 /nfs/dbraw/zinc/32/37/47/839323747.db2.gz BITXJBDUXKWAAD-IXDOHACOSA-N 2 2 350.463 0.363 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079495046 839536942 /nfs/dbraw/zinc/53/69/42/839536942.db2.gz WTTVQVCPELVSJL-BMFZPTHFSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079495046 839536954 /nfs/dbraw/zinc/53/69/54/839536954.db2.gz WTTVQVCPELVSJL-BMFZPTHFSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079495046 839536963 /nfs/dbraw/zinc/53/69/63/839536963.db2.gz WTTVQVCPELVSJL-BMFZPTHFSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079495046 839536972 /nfs/dbraw/zinc/53/69/72/839536972.db2.gz WTTVQVCPELVSJL-BMFZPTHFSA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292705 844459468 /nfs/dbraw/zinc/45/94/68/844459468.db2.gz ZEDHEBCBHUAPAL-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292705 844459473 /nfs/dbraw/zinc/45/94/73/844459473.db2.gz ZEDHEBCBHUAPAL-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164689 839675689 /nfs/dbraw/zinc/67/56/89/839675689.db2.gz NMHZCMJPZFBGJW-ILLDSPSKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001080164689 839675693 /nfs/dbraw/zinc/67/56/93/839675693.db2.gz NMHZCMJPZFBGJW-ILLDSPSKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@@H]1C[NH+](Cc2nccs2)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080164689 839675698 /nfs/dbraw/zinc/67/56/98/839675698.db2.gz NMHZCMJPZFBGJW-ILLDSPSKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@@H]1C[NH+](Cc2nccs2)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080164689 839675701 /nfs/dbraw/zinc/67/57/01/839675701.db2.gz NMHZCMJPZFBGJW-ILLDSPSKSA-N 2 2 362.499 0.943 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345803 839707197 /nfs/dbraw/zinc/70/71/97/839707197.db2.gz ADHIIBNMOCWICR-UMVBOHGHSA-N 2 2 350.463 0.868 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345803 839707207 /nfs/dbraw/zinc/70/72/07/839707207.db2.gz ADHIIBNMOCWICR-UMVBOHGHSA-N 2 2 350.463 0.868 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557458 839747070 /nfs/dbraw/zinc/74/70/70/839747070.db2.gz VRUDKPKCVGGFOT-DJIMGWMZSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557458 839747080 /nfs/dbraw/zinc/74/70/80/839747080.db2.gz VRUDKPKCVGGFOT-DJIMGWMZSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557458 839747091 /nfs/dbraw/zinc/74/70/91/839747091.db2.gz VRUDKPKCVGGFOT-DJIMGWMZSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557458 839747100 /nfs/dbraw/zinc/74/71/00/839747100.db2.gz VRUDKPKCVGGFOT-DJIMGWMZSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943174 839839951 /nfs/dbraw/zinc/83/99/51/839839951.db2.gz TXQBRKLZUGFTOI-BZUAXINKSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943174 839839961 /nfs/dbraw/zinc/83/99/61/839839961.db2.gz TXQBRKLZUGFTOI-BZUAXINKSA-N 2 2 357.520 0.344 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947662 839840122 /nfs/dbraw/zinc/84/01/22/839840122.db2.gz HKCPQZAHCNLXQN-VHDGCEQUSA-N 2 2 354.476 0.063 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001080947662 839840135 /nfs/dbraw/zinc/84/01/35/839840135.db2.gz HKCPQZAHCNLXQN-VHDGCEQUSA-N 2 2 354.476 0.063 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976591 839852359 /nfs/dbraw/zinc/85/23/59/839852359.db2.gz CHOVTTMIFUDXLA-JLZZUVOBSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976591 839852362 /nfs/dbraw/zinc/85/23/62/839852362.db2.gz CHOVTTMIFUDXLA-JLZZUVOBSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976591 839852367 /nfs/dbraw/zinc/85/23/67/839852367.db2.gz CHOVTTMIFUDXLA-JLZZUVOBSA-N 2 2 350.463 0.949 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2C)C1 ZINC001080976591 839852370 /nfs/dbraw/zinc/85/23/70/839852370.db2.gz CHOVTTMIFUDXLA-JLZZUVOBSA-N 2 2 350.463 0.949 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001080998615 839858289 /nfs/dbraw/zinc/85/82/89/839858289.db2.gz GBDFZZQHDOHKGU-RHSMWYFYSA-N 2 2 367.515 0.843 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001080998615 839858294 /nfs/dbraw/zinc/85/82/94/839858294.db2.gz GBDFZZQHDOHKGU-RHSMWYFYSA-N 2 2 367.515 0.843 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445954 839932654 /nfs/dbraw/zinc/93/26/54/839932654.db2.gz IAEKRYZKFKJSGT-RBSFLKMASA-N 2 2 355.870 0.446 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081445954 839932662 /nfs/dbraw/zinc/93/26/62/839932662.db2.gz IAEKRYZKFKJSGT-RBSFLKMASA-N 2 2 355.870 0.446 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081445954 839932670 /nfs/dbraw/zinc/93/26/70/839932670.db2.gz IAEKRYZKFKJSGT-RBSFLKMASA-N 2 2 355.870 0.446 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081445954 839932681 /nfs/dbraw/zinc/93/26/81/839932681.db2.gz IAEKRYZKFKJSGT-RBSFLKMASA-N 2 2 355.870 0.446 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847014 840062762 /nfs/dbraw/zinc/06/27/62/840062762.db2.gz PNALFMPSJOCVMD-NMFUWQPSSA-N 2 2 368.503 0.486 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847014 840062768 /nfs/dbraw/zinc/06/27/68/840062768.db2.gz PNALFMPSJOCVMD-NMFUWQPSSA-N 2 2 368.503 0.486 20 0 FCADLP CO[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847014 840062775 /nfs/dbraw/zinc/06/27/75/840062775.db2.gz PNALFMPSJOCVMD-NMFUWQPSSA-N 2 2 368.503 0.486 20 0 FCADLP CO[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847014 840062783 /nfs/dbraw/zinc/06/27/83/840062783.db2.gz PNALFMPSJOCVMD-NMFUWQPSSA-N 2 2 368.503 0.486 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856932 840072381 /nfs/dbraw/zinc/07/23/81/840072381.db2.gz QUNSRXTUPMVRCR-BZUAXINKSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856932 840072391 /nfs/dbraw/zinc/07/23/91/840072391.db2.gz QUNSRXTUPMVRCR-BZUAXINKSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081856932 840072403 /nfs/dbraw/zinc/07/24/03/840072403.db2.gz QUNSRXTUPMVRCR-BZUAXINKSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081856932 840072412 /nfs/dbraw/zinc/07/24/12/840072412.db2.gz QUNSRXTUPMVRCR-BZUAXINKSA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081951807 840121312 /nfs/dbraw/zinc/12/13/12/840121312.db2.gz FEUYKJWUMOCUBU-FRFSOERESA-N 2 2 350.463 0.612 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](OC)C1 ZINC001081951807 840121318 /nfs/dbraw/zinc/12/13/18/840121318.db2.gz FEUYKJWUMOCUBU-FRFSOERESA-N 2 2 350.463 0.612 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482998 844521280 /nfs/dbraw/zinc/52/12/80/844521280.db2.gz SHIFZMKEHODPMG-HZSPNIEDSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482998 844521284 /nfs/dbraw/zinc/52/12/84/844521284.db2.gz SHIFZMKEHODPMG-HZSPNIEDSA-N 2 2 354.476 0.071 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346086 840329683 /nfs/dbraw/zinc/32/96/83/840329683.db2.gz PDIDOSFZHAVUHC-FVQBIDKESA-N 2 2 350.463 0.891 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346086 840329693 /nfs/dbraw/zinc/32/96/93/840329693.db2.gz PDIDOSFZHAVUHC-FVQBIDKESA-N 2 2 350.463 0.891 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C)c1nncn1C ZINC001082807499 840570014 /nfs/dbraw/zinc/57/00/14/840570014.db2.gz LMEYBOJVPISMDL-RBSFLKMASA-N 2 2 350.467 0.035 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082861181 840586346 /nfs/dbraw/zinc/58/63/46/840586346.db2.gz MQZOHFURBZXFHG-IJEWVQPXSA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082892699 840593859 /nfs/dbraw/zinc/59/38/59/840593859.db2.gz QBXOQPQLHVWIPN-IJEWVQPXSA-N 2 2 368.503 0.224 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)no1 ZINC001082923263 840603394 /nfs/dbraw/zinc/60/33/94/840603394.db2.gz AMBYXNBWZUJINI-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082938711 840614447 /nfs/dbraw/zinc/61/44/47/840614447.db2.gz GWPQHLLZTXBLDQ-MBNYWOFBSA-N 2 2 350.488 0.417 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001082938711 840614451 /nfs/dbraw/zinc/61/44/51/840614451.db2.gz GWPQHLLZTXBLDQ-MBNYWOFBSA-N 2 2 350.488 0.417 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082940211 840615964 /nfs/dbraw/zinc/61/59/64/840615964.db2.gz JQIBUHKLTVHUSM-VHDGCEQUSA-N 2 2 362.499 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082940211 840615973 /nfs/dbraw/zinc/61/59/73/840615973.db2.gz JQIBUHKLTVHUSM-VHDGCEQUSA-N 2 2 362.499 0.431 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035386 840667914 /nfs/dbraw/zinc/66/79/14/840667914.db2.gz PEBCVCCPCMPGGY-ZNMIVQPWSA-N 2 2 359.417 0.274 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035386 840667917 /nfs/dbraw/zinc/66/79/17/840667917.db2.gz PEBCVCCPCMPGGY-ZNMIVQPWSA-N 2 2 359.417 0.274 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035386 840667922 /nfs/dbraw/zinc/66/79/22/840667922.db2.gz PEBCVCCPCMPGGY-ZNMIVQPWSA-N 2 2 359.417 0.274 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC(F)(F)C4)C[C@@H]32)C1 ZINC001083035386 840667926 /nfs/dbraw/zinc/66/79/26/840667926.db2.gz PEBCVCCPCMPGGY-ZNMIVQPWSA-N 2 2 359.417 0.274 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC001083224578 840813336 /nfs/dbraw/zinc/81/33/36/840813336.db2.gz FWYNHPLAZPBUNS-DLBZAZTESA-N 2 2 365.499 0.882 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC001083224578 840813346 /nfs/dbraw/zinc/81/33/46/840813346.db2.gz FWYNHPLAZPBUNS-DLBZAZTESA-N 2 2 365.499 0.882 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@H+](C/C=C/Cl)C[C@@H]32)CC1 ZINC001083236343 840821022 /nfs/dbraw/zinc/82/10/22/840821022.db2.gz XAYDLGHHOLFLBS-ILUPXTIESA-N 2 2 357.882 0.761 20 0 FCADLP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@@H+](C/C=C/Cl)C[C@@H]32)CC1 ZINC001083236343 840821032 /nfs/dbraw/zinc/82/10/32/840821032.db2.gz XAYDLGHHOLFLBS-ILUPXTIESA-N 2 2 357.882 0.761 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248089 840831931 /nfs/dbraw/zinc/83/19/31/840831931.db2.gz RFWUYNMGRZODSD-CWRNSKLLSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248089 840831944 /nfs/dbraw/zinc/83/19/44/840831944.db2.gz RFWUYNMGRZODSD-CWRNSKLLSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248089 840831952 /nfs/dbraw/zinc/83/19/52/840831952.db2.gz RFWUYNMGRZODSD-CWRNSKLLSA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4cncs4)C[C@@H]32)C1 ZINC001083248089 840831961 /nfs/dbraw/zinc/83/19/61/840831961.db2.gz RFWUYNMGRZODSD-CWRNSKLLSA-N 2 2 350.488 0.897 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373169 840945297 /nfs/dbraw/zinc/94/52/97/840945297.db2.gz UVZWKAQNRQQNQI-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373169 840945302 /nfs/dbraw/zinc/94/53/02/840945302.db2.gz UVZWKAQNRQQNQI-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373169 840945310 /nfs/dbraw/zinc/94/53/10/840945310.db2.gz UVZWKAQNRQQNQI-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083373169 840945322 /nfs/dbraw/zinc/94/53/22/840945322.db2.gz UVZWKAQNRQQNQI-ZACQAIPSSA-N 2 2 351.422 0.460 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385613 840957371 /nfs/dbraw/zinc/95/73/71/840957371.db2.gz TXKCPJJNYDQUSU-OWCLPIDISA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385613 840957379 /nfs/dbraw/zinc/95/73/79/840957379.db2.gz TXKCPJJNYDQUSU-OWCLPIDISA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385613 840957385 /nfs/dbraw/zinc/95/73/85/840957385.db2.gz TXKCPJJNYDQUSU-OWCLPIDISA-N 2 2 353.488 0.357 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)c(C)s1 ZINC001083385613 840957389 /nfs/dbraw/zinc/95/73/89/840957389.db2.gz TXKCPJJNYDQUSU-OWCLPIDISA-N 2 2 353.488 0.357 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616884 844604759 /nfs/dbraw/zinc/60/47/59/844604759.db2.gz WRHUQLMGJAHFJV-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616884 844604767 /nfs/dbraw/zinc/60/47/67/844604767.db2.gz WRHUQLMGJAHFJV-BRWVUGGUSA-N 2 2 350.463 0.763 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518897 841114533 /nfs/dbraw/zinc/11/45/33/841114533.db2.gz VWBOINLUAAXNMF-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518897 841114540 /nfs/dbraw/zinc/11/45/40/841114540.db2.gz VWBOINLUAAXNMF-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518897 841114545 /nfs/dbraw/zinc/11/45/45/841114545.db2.gz VWBOINLUAAXNMF-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518897 841114550 /nfs/dbraw/zinc/11/45/50/841114550.db2.gz VWBOINLUAAXNMF-UAGQMJEPSA-N 2 2 350.463 0.622 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001083826320 841468492 /nfs/dbraw/zinc/46/84/92/841468492.db2.gz MEJXSYPYGNQNRS-CVEARBPZSA-N 2 2 350.463 0.737 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001083826320 841468500 /nfs/dbraw/zinc/46/85/00/841468500.db2.gz MEJXSYPYGNQNRS-CVEARBPZSA-N 2 2 350.463 0.737 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)sn1 ZINC001083833051 841477452 /nfs/dbraw/zinc/47/74/52/841477452.db2.gz HDMBEIWAJNMPKZ-CVEARBPZSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)sn1 ZINC001083833051 841477459 /nfs/dbraw/zinc/47/74/59/841477459.db2.gz HDMBEIWAJNMPKZ-CVEARBPZSA-N 2 2 352.504 0.845 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)cn1 ZINC001083851188 841500683 /nfs/dbraw/zinc/50/06/83/841500683.db2.gz RNGFFXVCSFTCQR-OLZOCXBDSA-N 2 2 363.384 0.172 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)cn1 ZINC001083851188 841500697 /nfs/dbraw/zinc/50/06/97/841500697.db2.gz RNGFFXVCSFTCQR-OLZOCXBDSA-N 2 2 363.384 0.172 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)[C@@H](O)C2)o1 ZINC001083908431 841555325 /nfs/dbraw/zinc/55/53/25/841555325.db2.gz CSGXXKXMJSKQIY-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)[C@@H](O)C2)o1 ZINC001083908431 841555331 /nfs/dbraw/zinc/55/53/31/841555331.db2.gz CSGXXKXMJSKQIY-SJORKVTESA-N 2 2 350.463 0.765 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083953993 841601264 /nfs/dbraw/zinc/60/12/64/841601264.db2.gz GJKUFNBFEAOPNA-SJORKVTESA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001083953993 841601271 /nfs/dbraw/zinc/60/12/71/841601271.db2.gz GJKUFNBFEAOPNA-SJORKVTESA-N 2 2 350.463 0.331 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877366 861240542 /nfs/dbraw/zinc/24/05/42/861240542.db2.gz AZSLYKDCILGPKX-LPHOPBHVSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275877366 861240557 /nfs/dbraw/zinc/24/05/57/861240557.db2.gz AZSLYKDCILGPKX-LPHOPBHVSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275877366 861240573 /nfs/dbraw/zinc/24/05/73/861240573.db2.gz AZSLYKDCILGPKX-LPHOPBHVSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275877366 861240588 /nfs/dbraw/zinc/24/05/88/861240588.db2.gz AZSLYKDCILGPKX-LPHOPBHVSA-N 3 2 350.507 0.731 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001084951199 841966024 /nfs/dbraw/zinc/96/60/24/841966024.db2.gz HDWFMMCFNPCIKF-OCCSQVGLSA-N 2 2 350.488 0.831 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001084951199 841966028 /nfs/dbraw/zinc/96/60/28/841966028.db2.gz HDWFMMCFNPCIKF-OCCSQVGLSA-N 2 2 350.488 0.831 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001085152735 842028150 /nfs/dbraw/zinc/02/81/50/842028150.db2.gz PENLHTCHMVTMRG-MGPQQGTHSA-N 2 2 351.451 0.827 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001085152735 842028160 /nfs/dbraw/zinc/02/81/60/842028160.db2.gz PENLHTCHMVTMRG-MGPQQGTHSA-N 2 2 351.451 0.827 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001085158937 842029648 /nfs/dbraw/zinc/02/96/48/842029648.db2.gz BSERSMIDBKNFAG-KFWWJZLASA-N 2 2 352.435 0.531 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001085158937 842029656 /nfs/dbraw/zinc/02/96/56/842029656.db2.gz BSERSMIDBKNFAG-KFWWJZLASA-N 2 2 352.435 0.531 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085158953 842030013 /nfs/dbraw/zinc/03/00/13/842030013.db2.gz CGBHRRNIHMXZRJ-BZUAXINKSA-N 2 2 350.467 0.146 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085158953 842030023 /nfs/dbraw/zinc/03/00/23/842030023.db2.gz CGBHRRNIHMXZRJ-BZUAXINKSA-N 2 2 350.467 0.146 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001085307648 842072999 /nfs/dbraw/zinc/07/29/99/842072999.db2.gz JHNDGHYCOOBPBL-BZUAXINKSA-N 2 2 352.479 0.132 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001085307648 842073006 /nfs/dbraw/zinc/07/30/06/842073006.db2.gz JHNDGHYCOOBPBL-BZUAXINKSA-N 2 2 352.479 0.132 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001085345643 842081120 /nfs/dbraw/zinc/08/11/20/842081120.db2.gz ISUQIMKOCBKLRR-FVQBIDKESA-N 2 2 368.503 0.794 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001085438601 842105973 /nfs/dbraw/zinc/10/59/73/842105973.db2.gz VWYYTSUIDYIBFZ-HZPDHXFCSA-N 2 2 368.503 0.725 20 0 FCADLP CCc1cnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400512 842131044 /nfs/dbraw/zinc/13/10/44/842131044.db2.gz KFAOGEPNWFZKCN-IXYNUQLISA-N 2 2 350.463 0.941 20 0 FCADLP CCc1cnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400512 842131045 /nfs/dbraw/zinc/13/10/45/842131045.db2.gz KFAOGEPNWFZKCN-IXYNUQLISA-N 2 2 350.463 0.941 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086664777 842146251 /nfs/dbraw/zinc/14/62/51/842146251.db2.gz DBNQCWQNAZBIFK-SQWLQELKSA-N 2 2 350.463 0.942 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086664777 842146262 /nfs/dbraw/zinc/14/62/62/842146262.db2.gz DBNQCWQNAZBIFK-SQWLQELKSA-N 2 2 350.463 0.942 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087049734 842245520 /nfs/dbraw/zinc/24/55/20/842245520.db2.gz XEHCTPXCHVOZDG-TZMCWYRMSA-N 2 2 364.475 0.847 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087066744 842262183 /nfs/dbraw/zinc/26/21/83/842262183.db2.gz SBORYZAUXPZVOE-UKRRQHHQSA-N 2 2 364.475 0.696 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087088446 842280513 /nfs/dbraw/zinc/28/05/13/842280513.db2.gz YSVPHBFVSYVQTR-BXUZGUMPSA-N 2 2 350.448 0.457 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087093940 842284134 /nfs/dbraw/zinc/28/41/34/842284134.db2.gz KVLISXJTLNDNBH-HZPDHXFCSA-N 2 2 350.463 0.832 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087101509 842290961 /nfs/dbraw/zinc/29/09/61/842290961.db2.gz NZGLIUAYMBHEBJ-UKRRQHHQSA-N 2 2 364.475 0.696 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2cnns2)C1 ZINC001087226311 842320198 /nfs/dbraw/zinc/32/01/98/842320198.db2.gz OCZNLRGROBHYEO-CABCVRRESA-N 2 2 367.519 0.977 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC001087829594 842443293 /nfs/dbraw/zinc/44/32/93/842443293.db2.gz MLAAOMVFMXMSFP-DLBZAZTESA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC001087829594 842443308 /nfs/dbraw/zinc/44/33/08/842443308.db2.gz MLAAOMVFMXMSFP-DLBZAZTESA-N 2 2 371.547 0.876 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088120902 842534592 /nfs/dbraw/zinc/53/45/92/842534592.db2.gz FCBIMVIXMADJTQ-KFWWJZLASA-N 2 2 366.487 0.167 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)CC[C@@H]2C1 ZINC001088120902 842534604 /nfs/dbraw/zinc/53/46/04/842534604.db2.gz FCBIMVIXMADJTQ-KFWWJZLASA-N 2 2 366.487 0.167 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565267 843041340 /nfs/dbraw/zinc/04/13/40/843041340.db2.gz JBLWHOFFTMJUGO-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565267 843041352 /nfs/dbraw/zinc/04/13/52/843041352.db2.gz JBLWHOFFTMJUGO-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565267 843041361 /nfs/dbraw/zinc/04/13/61/843041361.db2.gz JBLWHOFFTMJUGO-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cncs4)C[C@@]3(C)C2)C1 ZINC001091565267 843041374 /nfs/dbraw/zinc/04/13/74/843041374.db2.gz JBLWHOFFTMJUGO-UNEWFSDZSA-N 2 2 350.488 0.754 20 0 FCADLP COCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092910834 843337236 /nfs/dbraw/zinc/33/72/36/843337236.db2.gz JYUIZXCPMADHTP-NUJGCVRESA-N 2 2 353.507 0.960 20 0 FCADLP COCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092910834 843337248 /nfs/dbraw/zinc/33/72/48/843337248.db2.gz JYUIZXCPMADHTP-NUJGCVRESA-N 2 2 353.507 0.960 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092910834 843337257 /nfs/dbraw/zinc/33/72/57/843337257.db2.gz JYUIZXCPMADHTP-NUJGCVRESA-N 2 2 353.507 0.960 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092910834 843337267 /nfs/dbraw/zinc/33/72/67/843337267.db2.gz JYUIZXCPMADHTP-NUJGCVRESA-N 2 2 353.507 0.960 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208687 843407707 /nfs/dbraw/zinc/40/77/07/843407707.db2.gz AYLOHSALJPLEPW-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208687 843407710 /nfs/dbraw/zinc/40/77/10/843407710.db2.gz AYLOHSALJPLEPW-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208687 843407713 /nfs/dbraw/zinc/40/77/13/843407713.db2.gz AYLOHSALJPLEPW-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C)s3)C[C@H]2C)C1 ZINC001093208687 843407716 /nfs/dbraw/zinc/40/77/16/843407716.db2.gz AYLOHSALJPLEPW-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213279 843410236 /nfs/dbraw/zinc/41/02/36/843410236.db2.gz YOKKYZGYMUOKHB-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213279 843410242 /nfs/dbraw/zinc/41/02/42/843410242.db2.gz YOKKYZGYMUOKHB-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213279 843410249 /nfs/dbraw/zinc/41/02/49/843410249.db2.gz YOKKYZGYMUOKHB-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001093213279 843410252 /nfs/dbraw/zinc/41/02/52/843410252.db2.gz YOKKYZGYMUOKHB-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093446863 843433017 /nfs/dbraw/zinc/43/30/17/843433017.db2.gz NKZYUVODDDTOJN-DTTOXWODSA-N 2 2 350.463 0.301 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCF)C2 ZINC001093471006 843439682 /nfs/dbraw/zinc/43/96/82/843439682.db2.gz BMKGCIIYASNOEE-XYVMCAHJSA-N 2 2 352.454 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001093472937 843441151 /nfs/dbraw/zinc/44/11/51/843441151.db2.gz LUUWIKMFNMCKJD-LMSBXDPUSA-N 2 2 350.463 0.219 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001093690898 843457037 /nfs/dbraw/zinc/45/70/37/843457037.db2.gz IIIWCGHRGAYTAK-MGPQQGTHSA-N 2 2 369.897 0.588 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001093690898 843457042 /nfs/dbraw/zinc/45/70/42/843457042.db2.gz IIIWCGHRGAYTAK-MGPQQGTHSA-N 2 2 369.897 0.588 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691259 843457230 /nfs/dbraw/zinc/45/72/30/843457230.db2.gz NZROTAHXAOBOQG-MCIONIFRSA-N 2 2 367.519 0.615 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691259 843457233 /nfs/dbraw/zinc/45/72/33/843457233.db2.gz NZROTAHXAOBOQG-MCIONIFRSA-N 2 2 367.519 0.615 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@@H+]1C ZINC001098676798 843928125 /nfs/dbraw/zinc/92/81/25/843928125.db2.gz WNEJOCINNPDIPL-OWCLPIDISA-N 2 2 352.458 0.841 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@H+]1C ZINC001098676798 843928131 /nfs/dbraw/zinc/92/81/31/843928131.db2.gz WNEJOCINNPDIPL-OWCLPIDISA-N 2 2 352.458 0.841 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)no1 ZINC001099272266 843998478 /nfs/dbraw/zinc/99/84/78/843998478.db2.gz GJYQYWMTAUADPB-ZYHUDNBSSA-N 2 2 350.341 0.321 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170816 844714449 /nfs/dbraw/zinc/71/44/49/844714449.db2.gz JNLNDFNOWNWVEI-JHJVBQTASA-N 2 2 351.451 0.298 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170816 844714456 /nfs/dbraw/zinc/71/44/56/844714456.db2.gz JNLNDFNOWNWVEI-JHJVBQTASA-N 2 2 351.451 0.298 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473700 844763559 /nfs/dbraw/zinc/76/35/59/844763559.db2.gz NUCTUVYXKDIQHE-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473700 844763564 /nfs/dbraw/zinc/76/35/64/844763564.db2.gz NUCTUVYXKDIQHE-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610412 861497500 /nfs/dbraw/zinc/49/75/00/861497500.db2.gz QKEPRBBSPLGFAT-RDTXWAMCSA-N 2 2 353.463 0.731 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610412 861497505 /nfs/dbraw/zinc/49/75/05/861497505.db2.gz QKEPRBBSPLGFAT-RDTXWAMCSA-N 2 2 353.463 0.731 20 0 FCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001103742643 844813659 /nfs/dbraw/zinc/81/36/59/844813659.db2.gz PFOUVRSJVCUNOX-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001103742643 844813663 /nfs/dbraw/zinc/81/36/63/844813663.db2.gz PFOUVRSJVCUNOX-NXHRZFHOSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103774602 844820433 /nfs/dbraw/zinc/82/04/33/844820433.db2.gz IKOVERXOGJYTEI-IAGOWNOFSA-N 2 2 352.479 0.746 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103774602 844820441 /nfs/dbraw/zinc/82/04/41/844820441.db2.gz IKOVERXOGJYTEI-IAGOWNOFSA-N 2 2 352.479 0.746 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774718 844820634 /nfs/dbraw/zinc/82/06/34/844820634.db2.gz OCTGLIMGIIWCBT-BRWVUGGUSA-N 2 2 352.479 0.745 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774718 844820640 /nfs/dbraw/zinc/82/06/40/844820640.db2.gz OCTGLIMGIIWCBT-BRWVUGGUSA-N 2 2 352.479 0.745 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001103779707 844822833 /nfs/dbraw/zinc/82/28/33/844822833.db2.gz FEUIWOPAXYQOCM-BZUAXINKSA-N 2 2 370.519 0.638 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001103779707 844822844 /nfs/dbraw/zinc/82/28/44/844822844.db2.gz FEUIWOPAXYQOCM-BZUAXINKSA-N 2 2 370.519 0.638 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)no1 ZINC001104033761 844855769 /nfs/dbraw/zinc/85/57/69/844855769.db2.gz GOYCXSWYTLDMQD-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)no1 ZINC001104033761 844855776 /nfs/dbraw/zinc/85/57/76/844855776.db2.gz GOYCXSWYTLDMQD-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104033657 844856848 /nfs/dbraw/zinc/85/68/48/844856848.db2.gz BKKUKINPKXKMEM-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1cnns1 ZINC001104033657 844856852 /nfs/dbraw/zinc/85/68/52/844856852.db2.gz BKKUKINPKXKMEM-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104839834 844950144 /nfs/dbraw/zinc/95/01/44/844950144.db2.gz NKLAVTZHFDKGBM-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104932769 844960476 /nfs/dbraw/zinc/96/04/76/844960476.db2.gz NACFGWWTDIUBNA-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104932769 844960484 /nfs/dbraw/zinc/96/04/84/844960484.db2.gz NACFGWWTDIUBNA-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC001104955008 844961655 /nfs/dbraw/zinc/96/16/55/844961655.db2.gz DKSMCODYIYLTII-UKRRQHHQSA-N 2 2 370.519 0.770 20 0 FCADLP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966899 844963633 /nfs/dbraw/zinc/96/36/33/844963633.db2.gz KCOMOLPPVOWTJQ-BFYDXBDKSA-N 2 2 352.479 0.434 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnon3)C2)C1 ZINC001105042299 844973815 /nfs/dbraw/zinc/97/38/15/844973815.db2.gz VMSFHHWWJUINSR-FMKPAKJESA-N 2 2 351.451 0.365 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnon3)C2)C1 ZINC001105042299 844973819 /nfs/dbraw/zinc/97/38/19/844973819.db2.gz VMSFHHWWJUINSR-FMKPAKJESA-N 2 2 351.451 0.365 20 0 FCADLP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106461157 845178023 /nfs/dbraw/zinc/17/80/23/845178023.db2.gz NNXBATAIXWSKGK-TVFCKZIOSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705038 845229227 /nfs/dbraw/zinc/22/92/27/845229227.db2.gz OPCCZKJQUFDAHJ-BFYDXBDKSA-N 2 2 352.479 0.670 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001107025002 845311440 /nfs/dbraw/zinc/31/14/40/845311440.db2.gz IEOUUVMCONSJTI-UMVBOHGHSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C)C(N)=O ZINC001107025002 845311445 /nfs/dbraw/zinc/31/14/45/845311445.db2.gz IEOUUVMCONSJTI-UMVBOHGHSA-N 2 2 364.515 0.664 20 0 FCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001276728644 861559169 /nfs/dbraw/zinc/55/91/69/861559169.db2.gz VYLHHVJOVSUELQ-OAHLLOKOSA-N 2 2 355.479 0.441 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758270 861585186 /nfs/dbraw/zinc/58/51/86/861585186.db2.gz VWRHLTSGSZSSCN-GOSISDBHSA-N 2 2 350.463 0.058 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758270 861585196 /nfs/dbraw/zinc/58/51/96/861585196.db2.gz VWRHLTSGSZSSCN-GOSISDBHSA-N 2 2 350.463 0.058 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758193 861584839 /nfs/dbraw/zinc/58/48/39/861584839.db2.gz VHRXYXLFTJURBS-GOSISDBHSA-N 2 2 353.463 0.542 20 0 FCADLP COCCOCN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758193 861584845 /nfs/dbraw/zinc/58/48/45/861584845.db2.gz VHRXYXLFTJURBS-GOSISDBHSA-N 2 2 353.463 0.542 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC001276761352 861587001 /nfs/dbraw/zinc/58/70/01/861587001.db2.gz DPJIUIFHFBSLAU-HNNXBMFYSA-N 2 2 362.396 0.247 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC001276761352 861587013 /nfs/dbraw/zinc/58/70/13/861587013.db2.gz DPJIUIFHFBSLAU-HNNXBMFYSA-N 2 2 362.396 0.247 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109405975 845644981 /nfs/dbraw/zinc/64/49/81/845644981.db2.gz JGJHWUIHQXTBGV-MUQADHOPSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109405975 845644987 /nfs/dbraw/zinc/64/49/87/845644987.db2.gz JGJHWUIHQXTBGV-MUQADHOPSA-N 2 2 350.507 0.820 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001109402433 845645670 /nfs/dbraw/zinc/64/56/70/845645670.db2.gz QMRFBZFOIGVKDI-WBTNSWJXSA-N 2 2 350.507 0.963 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)C)C1CC1 ZINC001109402433 845645676 /nfs/dbraw/zinc/64/56/76/845645676.db2.gz QMRFBZFOIGVKDI-WBTNSWJXSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)CNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276764839 861589708 /nfs/dbraw/zinc/58/97/08/861589708.db2.gz JCMRMSOECVIZNU-INIZCTEOSA-N 2 2 350.507 0.635 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC1 ZINC001109651078 845704518 /nfs/dbraw/zinc/70/45/18/845704518.db2.gz HTZLZGZTUIXXMA-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC1 ZINC001109651078 845704527 /nfs/dbraw/zinc/70/45/27/845704527.db2.gz HTZLZGZTUIXXMA-ILXRZTDVSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109720107 845721413 /nfs/dbraw/zinc/72/14/13/845721413.db2.gz UUPZEDNGWUHJOK-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109720107 845721425 /nfs/dbraw/zinc/72/14/25/845721425.db2.gz UUPZEDNGWUHJOK-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109720107 845721432 /nfs/dbraw/zinc/72/14/32/845721432.db2.gz UUPZEDNGWUHJOK-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109720107 845721438 /nfs/dbraw/zinc/72/14/38/845721438.db2.gz UUPZEDNGWUHJOK-PMPSAXMXSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109880055 845752462 /nfs/dbraw/zinc/75/24/62/845752462.db2.gz YZPCIYDOQJAFSC-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109880055 845752467 /nfs/dbraw/zinc/75/24/67/845752467.db2.gz YZPCIYDOQJAFSC-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977507 845771128 /nfs/dbraw/zinc/77/11/28/845771128.db2.gz LZMCIDRVVDVPBJ-KBMXLJTQSA-N 2 2 350.467 0.098 20 0 FCADLP CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977507 845771130 /nfs/dbraw/zinc/77/11/30/845771130.db2.gz LZMCIDRVVDVPBJ-KBMXLJTQSA-N 2 2 350.467 0.098 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110159404 845808011 /nfs/dbraw/zinc/80/80/11/845808011.db2.gz OUBCRFQKTJKRIE-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110159404 845808014 /nfs/dbraw/zinc/80/80/14/845808014.db2.gz OUBCRFQKTJKRIE-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110159404 845808019 /nfs/dbraw/zinc/80/80/19/845808019.db2.gz OUBCRFQKTJKRIE-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001110159404 845808020 /nfs/dbraw/zinc/80/80/20/845808020.db2.gz OUBCRFQKTJKRIE-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110159776 845809149 /nfs/dbraw/zinc/80/91/49/845809149.db2.gz VZTDJPFLARPWKL-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110159776 845809154 /nfs/dbraw/zinc/80/91/54/845809154.db2.gz VZTDJPFLARPWKL-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110159776 845809157 /nfs/dbraw/zinc/80/91/57/845809157.db2.gz VZTDJPFLARPWKL-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001110159776 845809160 /nfs/dbraw/zinc/80/91/60/845809160.db2.gz VZTDJPFLARPWKL-YVSFHVDLSA-N 2 2 371.547 0.873 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110626648 845939199 /nfs/dbraw/zinc/93/91/99/845939199.db2.gz KHKBTSLHDMOYOL-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001110626648 845939208 /nfs/dbraw/zinc/93/92/08/845939208.db2.gz KHKBTSLHDMOYOL-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001110626648 845939211 /nfs/dbraw/zinc/93/92/11/845939211.db2.gz KHKBTSLHDMOYOL-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001110626648 845939219 /nfs/dbraw/zinc/93/92/19/845939219.db2.gz KHKBTSLHDMOYOL-WCVJEAGWSA-N 2 2 372.535 0.132 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021003 846016704 /nfs/dbraw/zinc/01/67/04/846016704.db2.gz OFERMOSXWSBOTK-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021003 846016711 /nfs/dbraw/zinc/01/67/11/846016711.db2.gz OFERMOSXWSBOTK-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021003 846016720 /nfs/dbraw/zinc/01/67/20/846016720.db2.gz OFERMOSXWSBOTK-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111021003 846016723 /nfs/dbraw/zinc/01/67/23/846016723.db2.gz OFERMOSXWSBOTK-HZMVEIRTSA-N 2 2 350.507 0.966 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020952 846017428 /nfs/dbraw/zinc/01/74/28/846017428.db2.gz MCSOWDGPAYHCDE-HZMVEIRTSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020952 846017431 /nfs/dbraw/zinc/01/74/31/846017431.db2.gz MCSOWDGPAYHCDE-HZMVEIRTSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111020952 846017436 /nfs/dbraw/zinc/01/74/36/846017436.db2.gz MCSOWDGPAYHCDE-HZMVEIRTSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111020952 846017439 /nfs/dbraw/zinc/01/74/39/846017439.db2.gz MCSOWDGPAYHCDE-HZMVEIRTSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)C ZINC001111277101 846076053 /nfs/dbraw/zinc/07/60/53/846076053.db2.gz AFJNRXUHEROFOC-KFWWJZLASA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)C ZINC001111277101 846076061 /nfs/dbraw/zinc/07/60/61/846076061.db2.gz AFJNRXUHEROFOC-KFWWJZLASA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001111312306 846084540 /nfs/dbraw/zinc/08/45/40/846084540.db2.gz ADGOLTVCPGTZOX-JJXSEGSLSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001111312306 846084545 /nfs/dbraw/zinc/08/45/45/846084545.db2.gz ADGOLTVCPGTZOX-JJXSEGSLSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111312306 846084551 /nfs/dbraw/zinc/08/45/51/846084551.db2.gz ADGOLTVCPGTZOX-JJXSEGSLSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111312306 846084555 /nfs/dbraw/zinc/08/45/55/846084555.db2.gz ADGOLTVCPGTZOX-JJXSEGSLSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)CS(C)(=O)=O ZINC001111408350 846099690 /nfs/dbraw/zinc/09/96/90/846099690.db2.gz UTDQADCMHBYFJT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2)CS(C)(=O)=O ZINC001111408350 846099699 /nfs/dbraw/zinc/09/96/99/846099699.db2.gz UTDQADCMHBYFJT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111467446 846117522 /nfs/dbraw/zinc/11/75/22/846117522.db2.gz JDSHPSKBIUYOCV-XLMAVXFVSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C)[NH+]1CCCC1 ZINC001111467446 846117526 /nfs/dbraw/zinc/11/75/26/846117526.db2.gz JDSHPSKBIUYOCV-XLMAVXFVSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111466444 846118654 /nfs/dbraw/zinc/11/86/54/846118654.db2.gz VZTDJPFLARPWKL-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111466444 846118655 /nfs/dbraw/zinc/11/86/55/846118655.db2.gz VZTDJPFLARPWKL-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111466444 846118658 /nfs/dbraw/zinc/11/86/58/846118658.db2.gz VZTDJPFLARPWKL-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001111466444 846118662 /nfs/dbraw/zinc/11/86/62/846118662.db2.gz VZTDJPFLARPWKL-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(C)(C)C)C2 ZINC001111658465 846167010 /nfs/dbraw/zinc/16/70/10/846167010.db2.gz BFYGOQDVQLPYDC-DOXZYTNZSA-N 2 2 350.507 0.966 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NC(C)(C)C)C2 ZINC001111658465 846167018 /nfs/dbraw/zinc/16/70/18/846167018.db2.gz BFYGOQDVQLPYDC-DOXZYTNZSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C2 ZINC001111658465 846167026 /nfs/dbraw/zinc/16/70/26/846167026.db2.gz BFYGOQDVQLPYDC-DOXZYTNZSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C2 ZINC001111658465 846167033 /nfs/dbraw/zinc/16/70/33/846167033.db2.gz BFYGOQDVQLPYDC-DOXZYTNZSA-N 2 2 350.507 0.966 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCC(F)F)C3)C1 ZINC001111678419 846173624 /nfs/dbraw/zinc/17/36/24/846173624.db2.gz CXBOZUWTYJFZBX-VBQJREDUSA-N 2 2 361.433 0.569 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCC(F)F)C3)C1 ZINC001111678419 846173630 /nfs/dbraw/zinc/17/36/30/846173630.db2.gz CXBOZUWTYJFZBX-VBQJREDUSA-N 2 2 361.433 0.569 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCC(F)F)C3)C1 ZINC001111678419 846173636 /nfs/dbraw/zinc/17/36/36/846173636.db2.gz CXBOZUWTYJFZBX-VBQJREDUSA-N 2 2 361.433 0.569 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCC(F)F)C3)C1 ZINC001111678419 846173642 /nfs/dbraw/zinc/17/36/42/846173642.db2.gz CXBOZUWTYJFZBX-VBQJREDUSA-N 2 2 361.433 0.569 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815988 846220721 /nfs/dbraw/zinc/22/07/21/846220721.db2.gz IBMCHECVXQDDDM-MPGHIAIKSA-N 2 2 350.463 0.331 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001111815988 846220725 /nfs/dbraw/zinc/22/07/25/846220725.db2.gz IBMCHECVXQDDDM-MPGHIAIKSA-N 2 2 350.463 0.331 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C2 ZINC001111861496 846235582 /nfs/dbraw/zinc/23/55/82/846235582.db2.gz QHWDPOSOLOKAIP-WFASDCNBSA-N 2 2 364.412 0.587 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C2 ZINC001111861496 846235589 /nfs/dbraw/zinc/23/55/89/846235589.db2.gz QHWDPOSOLOKAIP-WFASDCNBSA-N 2 2 364.412 0.587 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938036 846268418 /nfs/dbraw/zinc/26/84/18/846268418.db2.gz IOZMTOCMEPQKDB-YOEHRIQHSA-N 2 2 351.451 0.427 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938036 846268432 /nfs/dbraw/zinc/26/84/32/846268432.db2.gz IOZMTOCMEPQKDB-YOEHRIQHSA-N 2 2 351.451 0.427 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112140983 846412717 /nfs/dbraw/zinc/41/27/17/846412717.db2.gz BPDVFZJKXAQSQW-IJLUTSLNSA-N 2 2 361.368 0.387 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCOCCNC(C)=O)CC2)CC[N@@H+]1C ZINC001112865911 846537460 /nfs/dbraw/zinc/53/74/60/846537460.db2.gz GSUBSSXAZCWEFW-DLBZAZTESA-N 2 2 354.495 0.014 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCOCCNC(C)=O)CC2)CC[N@H+]1C ZINC001112865911 846537472 /nfs/dbraw/zinc/53/74/72/846537472.db2.gz GSUBSSXAZCWEFW-DLBZAZTESA-N 2 2 354.495 0.014 20 0 FCADLP Cc1cnc(F)c(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001276945849 861700176 /nfs/dbraw/zinc/70/01/76/861700176.db2.gz USUKMFCRXVMLTA-GOSISDBHSA-N 2 2 350.438 0.894 20 0 FCADLP Cc1cnc(F)c(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001276945849 861700185 /nfs/dbraw/zinc/70/01/85/861700185.db2.gz USUKMFCRXVMLTA-GOSISDBHSA-N 2 2 350.438 0.894 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@H](C)C1 ZINC001116723646 846747775 /nfs/dbraw/zinc/74/77/75/846747775.db2.gz HNAAXPPVONIYLJ-HZPDHXFCSA-N 2 2 362.536 0.653 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)[C@H](C)C1 ZINC001116723646 846747782 /nfs/dbraw/zinc/74/77/82/846747782.db2.gz HNAAXPPVONIYLJ-HZPDHXFCSA-N 2 2 362.536 0.653 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144818 846909938 /nfs/dbraw/zinc/90/99/38/846909938.db2.gz KXQVFRVZQOWROV-YOEHRIQHSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC001117144818 846909944 /nfs/dbraw/zinc/90/99/44/846909944.db2.gz KXQVFRVZQOWROV-YOEHRIQHSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3F)C2)CC1 ZINC001118073600 847270644 /nfs/dbraw/zinc/27/06/44/847270644.db2.gz GHEFVVIDGRUWAD-NUEKZKHPSA-N 2 2 354.470 0.668 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3F)C2)CC1 ZINC001118073600 847270653 /nfs/dbraw/zinc/27/06/53/847270653.db2.gz GHEFVVIDGRUWAD-NUEKZKHPSA-N 2 2 354.470 0.668 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC001118507298 847454115 /nfs/dbraw/zinc/45/41/15/847454115.db2.gz XUMSXDNHYXIFAE-UHFFFAOYSA-N 2 2 351.472 0.529 20 0 FCADLP CN(C(=O)C(=O)N1CCC(F)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001120439009 848202597 /nfs/dbraw/zinc/20/25/97/848202597.db2.gz MGLLUEMVRLUTKX-INIZCTEOSA-N 2 2 354.470 0.574 20 0 FCADLP CN(C(=O)C(=O)N1CCC(F)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001120439009 848202605 /nfs/dbraw/zinc/20/26/05/848202605.db2.gz MGLLUEMVRLUTKX-INIZCTEOSA-N 2 2 354.470 0.574 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CN1CC[NH+]1CCOCC1 ZINC001120496195 848221148 /nfs/dbraw/zinc/22/11/48/848221148.db2.gz XPWVSHOQZFJDMR-IRXDYDNUSA-N 2 2 367.877 0.896 20 0 FCADLP C[C@H](NC(=O)N1CC[NH2+]CCC12CCOCC2)[C@H](C)[NH+]1CCOCC1 ZINC001120556201 848240680 /nfs/dbraw/zinc/24/06/80/848240680.db2.gz RBYMJQCTWYTYDO-HOTGVXAUSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C[NH+]2CCC(CO)CC2)C[C@@H](C)O1 ZINC001120592100 848250607 /nfs/dbraw/zinc/25/06/07/848250607.db2.gz BNPACBFJBBWLMS-JFIYKMOQSA-N 2 2 353.507 0.791 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C2 ZINC001122119003 848450874 /nfs/dbraw/zinc/45/08/74/848450874.db2.gz AYUHENXROZVQDD-ABAIWWIYSA-N 2 2 360.380 0.699 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001123885039 848649695 /nfs/dbraw/zinc/64/96/95/848649695.db2.gz AGIFACQNXIHWEQ-INIZCTEOSA-N 2 2 355.527 0.157 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]Cc2csnn2)CC1 ZINC001127571681 848727229 /nfs/dbraw/zinc/72/72/29/848727229.db2.gz XGFRWXCDGMUKKY-CABCVRRESA-N 2 2 353.492 0.491 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COCc1cccs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900472 848911808 /nfs/dbraw/zinc/91/18/08/848911808.db2.gz FTAZFJZFEFNCGF-BPLDGKMQSA-N 2 2 364.471 0.858 20 0 FCADLP O=C(NCC[NH2+]C[C@@H](O)COCc1cccs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129900472 848911813 /nfs/dbraw/zinc/91/18/13/848911813.db2.gz FTAZFJZFEFNCGF-BPLDGKMQSA-N 2 2 364.471 0.858 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130057236 848937583 /nfs/dbraw/zinc/93/75/83/848937583.db2.gz PRJJKNCMHUWFEK-MNOVXSKESA-N 2 2 357.340 0.538 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130107020 848945936 /nfs/dbraw/zinc/94/59/36/848945936.db2.gz DRIAMWGXGJDCFU-KGLIPLIRSA-N 2 2 364.479 0.013 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130107020 848945938 /nfs/dbraw/zinc/94/59/38/848945938.db2.gz DRIAMWGXGJDCFU-KGLIPLIRSA-N 2 2 364.479 0.013 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nc(C(C)(C)C)no1 ZINC001130184114 848961588 /nfs/dbraw/zinc/96/15/88/848961588.db2.gz AWAAGVHGVXPXOG-FRRDWIJNSA-N 2 2 353.467 0.853 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nc(C(C)(C)C)no1 ZINC001130184114 848961590 /nfs/dbraw/zinc/96/15/90/848961590.db2.gz AWAAGVHGVXPXOG-FRRDWIJNSA-N 2 2 353.467 0.853 20 0 FCADLP CC[C@@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C(C)C)n1)[NH+](C)C ZINC001130238191 848984283 /nfs/dbraw/zinc/98/42/83/848984283.db2.gz YFFXTGRUTFLUPA-IHRRRGAJSA-N 2 2 352.483 0.632 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]C/C=C\Cl)c1 ZINC001130555807 849012901 /nfs/dbraw/zinc/01/29/01/849012901.db2.gz LRPRYVWLEGGYHV-ILVQXXJFSA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]C/C=C\Cl)c1 ZINC001130555807 849012911 /nfs/dbraw/zinc/01/29/11/849012911.db2.gz LRPRYVWLEGGYHV-ILVQXXJFSA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2cnsn2)c1 ZINC001130669268 849024966 /nfs/dbraw/zinc/02/49/66/849024966.db2.gz CZEHAPGSXBNHGQ-DZGCQCFKSA-N 2 2 363.491 0.308 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC001130811879 849047142 /nfs/dbraw/zinc/04/71/42/849047142.db2.gz PYYXBXHXYBRFDP-UONOGXRCSA-N 2 2 352.483 0.981 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131538554 849120136 /nfs/dbraw/zinc/12/01/36/849120136.db2.gz OVPSFJVDMNHTDD-AEFFLSMTSA-N 2 2 350.463 0.641 20 0 FCADLP O=C1CO[C@@]2(CC[N@@H+](C[C@H](O)C(F)(F)F)C2)CN1CCn1cc[nH+]c1 ZINC001277697648 862007801 /nfs/dbraw/zinc/00/78/01/862007801.db2.gz LGCUZYPWMUKJQW-GXTWGEPZSA-N 2 2 362.352 0.110 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](C[C@H](O)C(F)(F)F)C2)CN1CCn1cc[nH+]c1 ZINC001277697648 862007817 /nfs/dbraw/zinc/00/78/17/862007817.db2.gz LGCUZYPWMUKJQW-GXTWGEPZSA-N 2 2 362.352 0.110 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC001142467797 849445077 /nfs/dbraw/zinc/44/50/77/849445077.db2.gz BKAAGQZSSVPNAP-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC001142467797 849445080 /nfs/dbraw/zinc/44/50/80/849445080.db2.gz BKAAGQZSSVPNAP-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001142767443 849460601 /nfs/dbraw/zinc/46/06/01/849460601.db2.gz HXHCPNOLFRLVJA-MRXNPFEDSA-N 2 2 374.551 0.235 20 0 FCADLP COC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001143319586 849483314 /nfs/dbraw/zinc/48/33/14/849483314.db2.gz PKXTYEDDQRWYKF-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP COC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001143319586 849483317 /nfs/dbraw/zinc/48/33/17/849483317.db2.gz PKXTYEDDQRWYKF-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1OCCO ZINC001144204070 849512239 /nfs/dbraw/zinc/51/22/39/849512239.db2.gz JAERWVFFOQHFHQ-UHFFFAOYSA-N 2 2 350.463 0.551 20 0 FCADLP CCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735026 862049917 /nfs/dbraw/zinc/04/99/17/862049917.db2.gz OHWYNKDHQPNXJP-FUHWJXTLSA-N 2 2 350.463 0.775 20 0 FCADLP CCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735026 862049931 /nfs/dbraw/zinc/04/99/31/862049931.db2.gz OHWYNKDHQPNXJP-FUHWJXTLSA-N 2 2 350.463 0.775 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC001157999094 850011405 /nfs/dbraw/zinc/01/14/05/850011405.db2.gz OFLVFDXMHACVET-QWHCGFSZSA-N 2 2 370.247 0.812 20 0 FCADLP CCC(C)(C)NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158209210 850023210 /nfs/dbraw/zinc/02/32/10/850023210.db2.gz LITVSHKITAIZBS-GFCCVEGCSA-N 2 2 367.475 0.596 20 0 FCADLP CCNC(=O)c1cc(Cl)nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158267667 850032147 /nfs/dbraw/zinc/03/21/47/850032147.db2.gz UDWXDNKIUQFNPU-NSHDSACASA-N 2 2 352.870 0.882 20 0 FCADLP CCNC(=O)c1cc(Cl)nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158267667 850032154 /nfs/dbraw/zinc/03/21/54/850032154.db2.gz UDWXDNKIUQFNPU-NSHDSACASA-N 2 2 352.870 0.882 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001159077689 850095209 /nfs/dbraw/zinc/09/52/09/850095209.db2.gz SBTDUVWBLJWGOC-RLFYNMQTSA-N 2 2 353.463 0.383 20 0 FCADLP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160568 850098529 /nfs/dbraw/zinc/09/85/29/850098529.db2.gz LMEBJNOFSCOCNU-VCBZYWHSSA-N 3 2 350.507 0.476 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C1 ZINC001159220736 850102129 /nfs/dbraw/zinc/10/21/29/850102129.db2.gz OAPDUFNKHKBPHG-MPGHIAIKSA-N 2 2 362.499 0.892 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)C1 ZINC001159910112 850145307 /nfs/dbraw/zinc/14/53/07/850145307.db2.gz OCYXKIBXLISZSP-USRAEIGSSA-N 2 2 366.487 0.355 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506848 850178241 /nfs/dbraw/zinc/17/82/41/850178241.db2.gz SEHPPTGOVGVNCJ-LBPRGKRZSA-N 2 2 350.810 0.793 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160694477 850193044 /nfs/dbraw/zinc/19/30/44/850193044.db2.gz VUTVRHZAEQXJNE-STQMWFEESA-N 2 2 351.451 0.374 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C(F)F)s2)O1 ZINC001160850986 850204181 /nfs/dbraw/zinc/20/41/81/850204181.db2.gz LNCCNEHWQQANEP-NXEZZACHSA-N 2 2 363.434 0.791 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(C(F)F)s2)O1 ZINC001160850986 850204188 /nfs/dbraw/zinc/20/41/88/850204188.db2.gz LNCCNEHWQQANEP-NXEZZACHSA-N 2 2 363.434 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(C(C)(C)C)no2)O1 ZINC001160862214 850209437 /nfs/dbraw/zinc/20/94/37/850209437.db2.gz HCDTWFMAGNOAEY-CHWSQXEVSA-N 2 2 353.467 0.682 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(C(C)(C)C)no2)O1 ZINC001160862214 850209441 /nfs/dbraw/zinc/20/94/41/850209441.db2.gz HCDTWFMAGNOAEY-CHWSQXEVSA-N 2 2 353.467 0.682 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160911539 850212460 /nfs/dbraw/zinc/21/24/60/850212460.db2.gz GVBUUGUJONZOTE-GFCCVEGCSA-N 2 2 350.810 0.793 20 0 FCADLP CCC[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800436 862104219 /nfs/dbraw/zinc/10/42/19/862104219.db2.gz GVGWKDWCYFANSA-FUHWJXTLSA-N 2 2 350.463 0.595 20 0 FCADLP CCC[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800436 862104223 /nfs/dbraw/zinc/10/42/23/862104223.db2.gz GVGWKDWCYFANSA-FUHWJXTLSA-N 2 2 350.463 0.595 20 0 FCADLP CCC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800435 862104485 /nfs/dbraw/zinc/10/44/85/862104485.db2.gz GVGWKDWCYFANSA-AEFFLSMTSA-N 2 2 350.463 0.595 20 0 FCADLP CCC[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001277800435 862104489 /nfs/dbraw/zinc/10/44/89/862104489.db2.gz GVGWKDWCYFANSA-AEFFLSMTSA-N 2 2 350.463 0.595 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001161139175 850232703 /nfs/dbraw/zinc/23/27/03/850232703.db2.gz MKLZIIIDWATXPU-SUMWQHHRSA-N 2 2 364.833 0.794 20 0 FCADLP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)C1=O ZINC001161472295 850262639 /nfs/dbraw/zinc/26/26/39/850262639.db2.gz WRAYTRDNGBFOIA-KBPBESRZSA-N 2 2 358.433 0.658 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520399 850266183 /nfs/dbraw/zinc/26/61/83/850266183.db2.gz MTXQBIPJUMGDDZ-NEPJUHHUSA-N 2 2 353.224 0.712 20 0 FCADLP CC[C@H](C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)OC ZINC001162996025 850342336 /nfs/dbraw/zinc/34/23/36/850342336.db2.gz JSUURHBUWDCIGH-ZACQAIPSSA-N 2 2 357.495 0.387 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCOC)CC1 ZINC001277833075 862120906 /nfs/dbraw/zinc/12/09/06/862120906.db2.gz BBARZAJCZSNKSO-SJORKVTESA-N 2 2 355.523 0.944 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837093 862124536 /nfs/dbraw/zinc/12/45/36/862124536.db2.gz UQCJOQWONLMOQA-DZGCQCFKSA-N 2 2 367.412 0.555 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837093 862124538 /nfs/dbraw/zinc/12/45/38/862124538.db2.gz UQCJOQWONLMOQA-DZGCQCFKSA-N 2 2 367.412 0.555 20 0 FCADLP CCOCCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2 ZINC001277836941 862124637 /nfs/dbraw/zinc/12/46/37/862124637.db2.gz SRZODBVDMKRERT-SJORKVTESA-N 2 2 355.523 0.944 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836894 862124906 /nfs/dbraw/zinc/12/49/06/862124906.db2.gz RKXWVVVUZRZLRU-PKOBYXMFSA-N 2 2 355.523 0.896 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC001277836894 862124917 /nfs/dbraw/zinc/12/49/17/862124917.db2.gz RKXWVVVUZRZLRU-PKOBYXMFSA-N 2 2 355.523 0.896 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2c3c(ncc2Br)NC(=O)C3)CC1 ZINC001168746088 850592410 /nfs/dbraw/zinc/59/24/10/850592410.db2.gz BARADIHLNORSLL-UHFFFAOYSA-N 2 2 353.224 0.933 20 0 FCADLP COc1nc(OC)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1Br ZINC001169072990 850604175 /nfs/dbraw/zinc/60/41/75/850604175.db2.gz XKGOFVJLPUGEOC-MRVPVSSYSA-N 2 2 357.208 0.909 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(S(=O)(=O)c2ccccc2)nn1 ZINC001169071394 850604261 /nfs/dbraw/zinc/60/42/61/850604261.db2.gz BUXWSUSQEOITBL-GFCCVEGCSA-N 2 2 359.411 0.357 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169369658 850619483 /nfs/dbraw/zinc/61/94/83/850619483.db2.gz HTDIXNATPVEFJI-XUXIUFHCSA-N 2 2 357.451 0.633 20 0 FCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001169659075 850633377 /nfs/dbraw/zinc/63/33/77/850633377.db2.gz ANMGDBMYTWTION-MRXNPFEDSA-N 2 2 368.503 0.459 20 0 FCADLP C[N@H+]1CCOC[C@H]1CNc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001169659075 850633380 /nfs/dbraw/zinc/63/33/80/850633380.db2.gz ANMGDBMYTWTION-MRXNPFEDSA-N 2 2 368.503 0.459 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)C1 ZINC001172116362 850703786 /nfs/dbraw/zinc/70/37/86/850703786.db2.gz KQPFSTKATMQDTG-YDZRNGNQSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)C1 ZINC001172116362 850703799 /nfs/dbraw/zinc/70/37/99/850703799.db2.gz KQPFSTKATMQDTG-YDZRNGNQSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116362 850703805 /nfs/dbraw/zinc/70/38/05/850703805.db2.gz KQPFSTKATMQDTG-YDZRNGNQSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@]2(C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116362 850703817 /nfs/dbraw/zinc/70/38/17/850703817.db2.gz KQPFSTKATMQDTG-YDZRNGNQSA-N 2 2 351.491 0.951 20 0 FCADLP COCCC[NH+]1CCC(N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC001172255234 850709918 /nfs/dbraw/zinc/70/99/18/850709918.db2.gz KMUWBOLVBNDGHR-UHFFFAOYSA-N 2 2 352.523 0.727 20 0 FCADLP C[C@H](C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)n1cc[nH+]c1 ZINC001177929833 850877108 /nfs/dbraw/zinc/87/71/08/850877108.db2.gz SJYFBGIPKWHMFY-CYBMUJFWSA-N 2 2 363.443 0.390 20 0 FCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001179191596 850961552 /nfs/dbraw/zinc/96/15/52/850961552.db2.gz YNHQZGBBINXJOU-YVSFHVDLSA-N 2 2 355.479 0.092 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)CC2)C1=O ZINC001181657828 851125842 /nfs/dbraw/zinc/12/58/42/851125842.db2.gz CRYXGULJBHBEJX-GUYCJALGSA-N 2 2 374.888 0.608 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)CC2)C1=O ZINC001181657828 851125860 /nfs/dbraw/zinc/12/58/60/851125860.db2.gz CRYXGULJBHBEJX-GUYCJALGSA-N 2 2 374.888 0.608 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037733 851406732 /nfs/dbraw/zinc/40/67/32/851406732.db2.gz KWCJDYJZFKBKDL-QLFBSQMISA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037733 851406742 /nfs/dbraw/zinc/40/67/42/851406742.db2.gz KWCJDYJZFKBKDL-QLFBSQMISA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186037733 851406746 /nfs/dbraw/zinc/40/67/46/851406746.db2.gz KWCJDYJZFKBKDL-QLFBSQMISA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001186037733 851406751 /nfs/dbraw/zinc/40/67/51/851406751.db2.gz KWCJDYJZFKBKDL-QLFBSQMISA-N 2 2 350.488 0.633 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](O)C3)cc2F)CC1 ZINC001186046508 851408017 /nfs/dbraw/zinc/40/80/17/851408017.db2.gz FLUCAILWCPERRR-HNNXBMFYSA-N 2 2 350.438 0.973 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](O)C3)cc2F)CC1 ZINC001186046508 851408022 /nfs/dbraw/zinc/40/80/22/851408022.db2.gz FLUCAILWCPERRR-HNNXBMFYSA-N 2 2 350.438 0.973 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189472002 851794470 /nfs/dbraw/zinc/79/44/70/851794470.db2.gz ZTPOXZNTYFPQOL-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001189472002 851794475 /nfs/dbraw/zinc/79/44/75/851794475.db2.gz ZTPOXZNTYFPQOL-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189912586 851840289 /nfs/dbraw/zinc/84/02/89/851840289.db2.gz BHTIGOATNJFKMN-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189912586 851840302 /nfs/dbraw/zinc/84/03/02/851840302.db2.gz BHTIGOATNJFKMN-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189912586 851840313 /nfs/dbraw/zinc/84/03/13/851840313.db2.gz BHTIGOATNJFKMN-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001189912586 851840326 /nfs/dbraw/zinc/84/03/26/851840326.db2.gz BHTIGOATNJFKMN-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001190239650 851882397 /nfs/dbraw/zinc/88/23/97/851882397.db2.gz WWTGTXMIXBBWNX-MGPQQGTHSA-N 2 2 365.503 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001190239650 851882399 /nfs/dbraw/zinc/88/23/99/851882399.db2.gz WWTGTXMIXBBWNX-MGPQQGTHSA-N 2 2 365.503 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001190239650 851882402 /nfs/dbraw/zinc/88/24/02/851882402.db2.gz WWTGTXMIXBBWNX-MGPQQGTHSA-N 2 2 365.503 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001190239650 851882405 /nfs/dbraw/zinc/88/24/05/851882405.db2.gz WWTGTXMIXBBWNX-MGPQQGTHSA-N 2 2 365.503 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001190239648 851882486 /nfs/dbraw/zinc/88/24/86/851882486.db2.gz WWTGTXMIXBBWNX-HZSPNIEDSA-N 2 2 365.503 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001190239648 851882494 /nfs/dbraw/zinc/88/24/94/851882494.db2.gz WWTGTXMIXBBWNX-HZSPNIEDSA-N 2 2 365.503 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001190239648 851882499 /nfs/dbraw/zinc/88/24/99/851882499.db2.gz WWTGTXMIXBBWNX-HZSPNIEDSA-N 2 2 365.503 0.955 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001190239648 851882507 /nfs/dbraw/zinc/88/25/07/851882507.db2.gz WWTGTXMIXBBWNX-HZSPNIEDSA-N 2 2 365.503 0.955 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001192640473 852269215 /nfs/dbraw/zinc/26/92/15/852269215.db2.gz ZMEKFDBILWDTKC-HZPDHXFCSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001192640473 852269228 /nfs/dbraw/zinc/26/92/28/852269228.db2.gz ZMEKFDBILWDTKC-HZPDHXFCSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001193024270 852339251 /nfs/dbraw/zinc/33/92/51/852339251.db2.gz JBRPWAGHIQQBAV-MGPQQGTHSA-N 2 2 365.396 0.068 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001193024270 852339257 /nfs/dbraw/zinc/33/92/57/852339257.db2.gz JBRPWAGHIQQBAV-MGPQQGTHSA-N 2 2 365.396 0.068 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1O ZINC001193112425 852358142 /nfs/dbraw/zinc/35/81/42/852358142.db2.gz TYJMKNHCGSYCGF-ARFHVFGLSA-N 2 2 352.479 0.983 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1O ZINC001193112425 852358152 /nfs/dbraw/zinc/35/81/52/852358152.db2.gz TYJMKNHCGSYCGF-ARFHVFGLSA-N 2 2 352.479 0.983 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384922 852418375 /nfs/dbraw/zinc/41/83/75/852418375.db2.gz WPUBCNHUWWOMAO-BPLDGKMQSA-N 2 2 355.504 0.746 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384922 852418380 /nfs/dbraw/zinc/41/83/80/852418380.db2.gz WPUBCNHUWWOMAO-BPLDGKMQSA-N 2 2 355.504 0.746 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001193447023 852429213 /nfs/dbraw/zinc/42/92/13/852429213.db2.gz HJPUKEMMRKRJLE-ARFHVFGLSA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001193447023 852429219 /nfs/dbraw/zinc/42/92/19/852429219.db2.gz HJPUKEMMRKRJLE-ARFHVFGLSA-N 2 2 356.442 0.633 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001194095857 852536068 /nfs/dbraw/zinc/53/60/68/852536068.db2.gz SWWCDZHTZWKLLY-BZUAXINKSA-N 2 2 351.495 0.640 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O)[NH+](C)C ZINC001194095857 852536073 /nfs/dbraw/zinc/53/60/73/852536073.db2.gz SWWCDZHTZWKLLY-BZUAXINKSA-N 2 2 351.495 0.640 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192530 852555367 /nfs/dbraw/zinc/55/53/67/852555367.db2.gz XBIXPCWULZYKQT-USXIJHARSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192530 852555369 /nfs/dbraw/zinc/55/53/69/852555369.db2.gz XBIXPCWULZYKQT-USXIJHARSA-N 2 2 350.463 0.279 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001194908812 852670350 /nfs/dbraw/zinc/67/03/50/852670350.db2.gz IHRLEFKRWFMMNZ-BFHYXJOUSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001194908812 852670360 /nfs/dbraw/zinc/67/03/60/852670360.db2.gz IHRLEFKRWFMMNZ-BFHYXJOUSA-N 2 2 356.417 0.949 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCC1 ZINC001194909483 852671698 /nfs/dbraw/zinc/67/16/98/852671698.db2.gz OZRYKTSJCHVXSV-BZUAXINKSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1)C1CCC1 ZINC001194909483 852671701 /nfs/dbraw/zinc/67/17/01/852671701.db2.gz OZRYKTSJCHVXSV-BZUAXINKSA-N 2 2 350.463 0.329 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006382 852691023 /nfs/dbraw/zinc/69/10/23/852691023.db2.gz HJHUSGOYYSWVBQ-HUUCEWRRSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006382 852691027 /nfs/dbraw/zinc/69/10/27/852691027.db2.gz HJHUSGOYYSWVBQ-HUUCEWRRSA-N 2 2 350.463 0.909 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)CC[N@@H+]1C ZINC001195893244 852843708 /nfs/dbraw/zinc/84/37/08/852843708.db2.gz CDXUGDMLWFQQPU-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)CC[N@H+]1C ZINC001195893244 852843712 /nfs/dbraw/zinc/84/37/12/852843712.db2.gz CDXUGDMLWFQQPU-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC3(CS(C)(=O)=O)CC3)CC2)CC[NH+]1C ZINC001195893244 852843717 /nfs/dbraw/zinc/84/37/17/852843717.db2.gz CDXUGDMLWFQQPU-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC3(CS(C)(=O)=O)CC3)CC2)CC[NH+]1C ZINC001195893244 852843720 /nfs/dbraw/zinc/84/37/20/852843720.db2.gz CDXUGDMLWFQQPU-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001196269289 852929467 /nfs/dbraw/zinc/92/94/67/852929467.db2.gz SBBFHASOBDLERN-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001196269289 852929474 /nfs/dbraw/zinc/92/94/74/852929474.db2.gz SBBFHASOBDLERN-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001196269289 852929478 /nfs/dbraw/zinc/92/94/78/852929478.db2.gz SBBFHASOBDLERN-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](C[C@@H](O)CC(F)(F)F)CC2)O1 ZINC001196269289 852929486 /nfs/dbraw/zinc/92/94/86/852929486.db2.gz SBBFHASOBDLERN-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519941 852970873 /nfs/dbraw/zinc/97/08/73/852970873.db2.gz XPXWSKZGGZVHKP-HZPDHXFCSA-N 2 2 352.479 0.985 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519941 852970879 /nfs/dbraw/zinc/97/08/79/852970879.db2.gz XPXWSKZGGZVHKP-HZPDHXFCSA-N 2 2 352.479 0.985 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196526151 852971923 /nfs/dbraw/zinc/97/19/23/852971923.db2.gz DEDLLACBBSDWCK-HZPDHXFCSA-N 2 2 352.479 0.840 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196526151 852971928 /nfs/dbraw/zinc/97/19/28/852971928.db2.gz DEDLLACBBSDWCK-HZPDHXFCSA-N 2 2 352.479 0.840 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1O ZINC001196925896 853032673 /nfs/dbraw/zinc/03/26/73/853032673.db2.gz QVIFULUFNAFPEA-IAGOWNOFSA-N 2 2 352.479 0.806 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1O ZINC001196925896 853032678 /nfs/dbraw/zinc/03/26/78/853032678.db2.gz QVIFULUFNAFPEA-IAGOWNOFSA-N 2 2 352.479 0.806 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001196945411 853036858 /nfs/dbraw/zinc/03/68/58/853036858.db2.gz BYXADRNWYPGUKB-IAGOWNOFSA-N 2 2 351.422 0.209 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001196945411 853036865 /nfs/dbraw/zinc/03/68/65/853036865.db2.gz BYXADRNWYPGUKB-IAGOWNOFSA-N 2 2 351.422 0.209 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cs1 ZINC001196953979 853038853 /nfs/dbraw/zinc/03/88/53/853038853.db2.gz LXDZQHHOMZDPTI-HZPDHXFCSA-N 2 2 353.488 0.440 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cs1 ZINC001196953979 853038861 /nfs/dbraw/zinc/03/88/61/853038861.db2.gz LXDZQHHOMZDPTI-HZPDHXFCSA-N 2 2 353.488 0.440 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001197723325 853153513 /nfs/dbraw/zinc/15/35/13/853153513.db2.gz FXBZUENSNHBDGL-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001197723325 853153521 /nfs/dbraw/zinc/15/35/21/853153521.db2.gz FXBZUENSNHBDGL-HZPDHXFCSA-N 2 2 356.511 0.138 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046362 853210717 /nfs/dbraw/zinc/21/07/17/853210717.db2.gz BCVWVNYFOJTMNQ-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046362 853210726 /nfs/dbraw/zinc/21/07/26/853210726.db2.gz BCVWVNYFOJTMNQ-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046362 853210729 /nfs/dbraw/zinc/21/07/29/853210729.db2.gz BCVWVNYFOJTMNQ-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001198046362 853210738 /nfs/dbraw/zinc/21/07/38/853210738.db2.gz BCVWVNYFOJTMNQ-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001199094898 853367738 /nfs/dbraw/zinc/36/77/38/853367738.db2.gz AZQUHQQFVUYBDS-HZPDHXFCSA-N 2 2 353.438 0.706 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O ZINC001199094898 853367744 /nfs/dbraw/zinc/36/77/44/853367744.db2.gz AZQUHQQFVUYBDS-HZPDHXFCSA-N 2 2 353.438 0.706 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001199094898 853367746 /nfs/dbraw/zinc/36/77/46/853367746.db2.gz AZQUHQQFVUYBDS-HZPDHXFCSA-N 2 2 353.438 0.706 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001199094898 853367749 /nfs/dbraw/zinc/36/77/49/853367749.db2.gz AZQUHQQFVUYBDS-HZPDHXFCSA-N 2 2 353.438 0.706 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104805 853371556 /nfs/dbraw/zinc/37/15/56/853371556.db2.gz UBKUPDPNXIUNRD-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104805 853371562 /nfs/dbraw/zinc/37/15/62/853371562.db2.gz UBKUPDPNXIUNRD-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104805 853371563 /nfs/dbraw/zinc/37/15/63/853371563.db2.gz UBKUPDPNXIUNRD-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104805 853371574 /nfs/dbraw/zinc/37/15/74/853371574.db2.gz UBKUPDPNXIUNRD-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1F ZINC001199119818 853373674 /nfs/dbraw/zinc/37/36/74/853373674.db2.gz WSCPVYPQDBKMMZ-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1F ZINC001199119818 853373685 /nfs/dbraw/zinc/37/36/85/853373685.db2.gz WSCPVYPQDBKMMZ-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1F ZINC001199119818 853373695 /nfs/dbraw/zinc/37/36/95/853373695.db2.gz WSCPVYPQDBKMMZ-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1F ZINC001199119818 853373702 /nfs/dbraw/zinc/37/37/02/853373702.db2.gz WSCPVYPQDBKMMZ-HZPDHXFCSA-N 2 2 353.438 0.836 20 0 FCADLP FC1(F)CC[NH+](CCNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC001199954373 853467852 /nfs/dbraw/zinc/46/78/52/853467852.db2.gz GBXYXLPXAHSYFG-UHFFFAOYSA-N 2 2 350.479 0.904 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=S)NCC[NH+]1CCCCC1 ZINC001200443860 853498652 /nfs/dbraw/zinc/49/86/52/853498652.db2.gz APABOMHBSHJUPQ-CQSZACIVSA-N 2 2 353.492 0.454 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922390 853753431 /nfs/dbraw/zinc/75/34/31/853753431.db2.gz KQGCJYAVRDZZQP-HZSPNIEDSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922390 853753438 /nfs/dbraw/zinc/75/34/38/853753438.db2.gz KQGCJYAVRDZZQP-HZSPNIEDSA-N 2 2 354.476 0.214 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955211 853764382 /nfs/dbraw/zinc/76/43/82/853764382.db2.gz NNQLMIKJKIDYLL-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955211 853764387 /nfs/dbraw/zinc/76/43/87/853764387.db2.gz NNQLMIKJKIDYLL-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955211 853764393 /nfs/dbraw/zinc/76/43/93/853764393.db2.gz NNQLMIKJKIDYLL-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001206955211 853764398 /nfs/dbraw/zinc/76/43/98/853764398.db2.gz NNQLMIKJKIDYLL-OIISXLGYSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437638 853813217 /nfs/dbraw/zinc/81/32/17/853813217.db2.gz CIEXDTUVLFXNJW-DJIMGWMZSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437638 853813225 /nfs/dbraw/zinc/81/32/25/853813225.db2.gz CIEXDTUVLFXNJW-DJIMGWMZSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437638 853813229 /nfs/dbraw/zinc/81/32/29/853813229.db2.gz CIEXDTUVLFXNJW-DJIMGWMZSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437638 853813238 /nfs/dbraw/zinc/81/32/38/853813238.db2.gz CIEXDTUVLFXNJW-DJIMGWMZSA-N 2 2 352.479 0.812 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](CC3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC001207452371 853816142 /nfs/dbraw/zinc/81/61/42/853816142.db2.gz XCGXJOGXOFTTOM-UHFFFAOYSA-N 2 2 368.503 0.884 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545381 853822637 /nfs/dbraw/zinc/82/26/37/853822637.db2.gz SGRPSMZFWXVMDS-QLFBSQMISA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545381 853822641 /nfs/dbraw/zinc/82/26/41/853822641.db2.gz SGRPSMZFWXVMDS-QLFBSQMISA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551238 853823960 /nfs/dbraw/zinc/82/39/60/853823960.db2.gz YFWMJTVGYXCBEY-BMFZPTHFSA-N 2 2 371.547 0.588 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207551238 853823966 /nfs/dbraw/zinc/82/39/66/853823966.db2.gz YFWMJTVGYXCBEY-BMFZPTHFSA-N 2 2 371.547 0.588 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001208008634 853883078 /nfs/dbraw/zinc/88/30/78/853883078.db2.gz YTCYOCRQBVBJLG-UMVBOHGHSA-N 2 2 356.492 0.309 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001208008634 853883080 /nfs/dbraw/zinc/88/30/80/853883080.db2.gz YTCYOCRQBVBJLG-UMVBOHGHSA-N 2 2 356.492 0.309 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074513 853892733 /nfs/dbraw/zinc/89/27/33/853892733.db2.gz XGXQUEXHZLVAOK-KYJSFNMBSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208074513 853892738 /nfs/dbraw/zinc/89/27/38/853892738.db2.gz XGXQUEXHZLVAOK-KYJSFNMBSA-N 2 2 350.507 0.822 20 0 FCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252821 853907755 /nfs/dbraw/zinc/90/77/55/853907755.db2.gz WJLZYVDGQCNAKF-HUUCEWRRSA-N 2 2 371.507 0.039 20 0 FCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252821 853907759 /nfs/dbraw/zinc/90/77/59/853907759.db2.gz WJLZYVDGQCNAKF-HUUCEWRRSA-N 2 2 371.507 0.039 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422329 853932328 /nfs/dbraw/zinc/93/23/28/853932328.db2.gz LHPMCXKPMNMLJZ-UKRRQHHQSA-N 2 2 350.463 0.918 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422329 853932332 /nfs/dbraw/zinc/93/23/32/853932332.db2.gz LHPMCXKPMNMLJZ-UKRRQHHQSA-N 2 2 350.463 0.918 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496454 853943218 /nfs/dbraw/zinc/94/32/18/853943218.db2.gz SSPGSHUNIRRJEN-JHJVBQTASA-N 2 2 364.412 0.538 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496454 853943223 /nfs/dbraw/zinc/94/32/23/853943223.db2.gz SSPGSHUNIRRJEN-JHJVBQTASA-N 2 2 364.412 0.538 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001209635908 854042041 /nfs/dbraw/zinc/04/20/41/854042041.db2.gz ZGIDDWYGEUQCQN-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1C ZINC001209635908 854042048 /nfs/dbraw/zinc/04/20/48/854042048.db2.gz ZGIDDWYGEUQCQN-GDBMZVCRSA-N 2 2 350.463 0.674 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001209699013 854046890 /nfs/dbraw/zinc/04/68/90/854046890.db2.gz GPIRIUPKNQYNAS-RBSFLKMASA-N 2 2 368.503 0.539 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211032247 854147902 /nfs/dbraw/zinc/14/79/02/854147902.db2.gz WRMWRYAUNBLERC-JHJVBQTASA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211032247 854147903 /nfs/dbraw/zinc/14/79/03/854147903.db2.gz WRMWRYAUNBLERC-JHJVBQTASA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211032247 854147904 /nfs/dbraw/zinc/14/79/04/854147904.db2.gz WRMWRYAUNBLERC-JHJVBQTASA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211032247 854147905 /nfs/dbraw/zinc/14/79/05/854147905.db2.gz WRMWRYAUNBLERC-JHJVBQTASA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211032244 854148061 /nfs/dbraw/zinc/14/80/61/854148061.db2.gz WRMWRYAUNBLERC-FRRDWIJNSA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211032244 854148064 /nfs/dbraw/zinc/14/80/64/854148064.db2.gz WRMWRYAUNBLERC-FRRDWIJNSA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211032244 854148067 /nfs/dbraw/zinc/14/80/67/854148067.db2.gz WRMWRYAUNBLERC-FRRDWIJNSA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211032244 854148069 /nfs/dbraw/zinc/14/80/69/854148069.db2.gz WRMWRYAUNBLERC-FRRDWIJNSA-N 2 2 364.412 0.395 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211450414 854201491 /nfs/dbraw/zinc/20/14/91/854201491.db2.gz YNERSYIRTWMUPZ-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211450414 854201499 /nfs/dbraw/zinc/20/14/99/854201499.db2.gz YNERSYIRTWMUPZ-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001212368276 854454932 /nfs/dbraw/zinc/45/49/32/854454932.db2.gz JSOFBYBTXDKTEI-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001212368276 854454933 /nfs/dbraw/zinc/45/49/33/854454933.db2.gz JSOFBYBTXDKTEI-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001212368276 854454934 /nfs/dbraw/zinc/45/49/34/854454934.db2.gz JSOFBYBTXDKTEI-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001212368276 854454935 /nfs/dbraw/zinc/45/49/35/854454935.db2.gz JSOFBYBTXDKTEI-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC)[NH+](C)C ZINC001212460289 854488490 /nfs/dbraw/zinc/48/84/90/854488490.db2.gz FUFHDWSRITVBAF-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC)[NH+](C)C ZINC001212460289 854488492 /nfs/dbraw/zinc/48/84/92/854488492.db2.gz FUFHDWSRITVBAF-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC)[NH+](C)C ZINC001212463075 854489997 /nfs/dbraw/zinc/48/99/97/854489997.db2.gz QQNAZUQQKOKVEW-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC)[NH+](C)C ZINC001212463075 854490002 /nfs/dbraw/zinc/49/00/02/854490002.db2.gz QQNAZUQQKOKVEW-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001212483707 854497255 /nfs/dbraw/zinc/49/72/55/854497255.db2.gz OWHFBCMKGHUAMD-HUUCEWRRSA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001212483707 854497258 /nfs/dbraw/zinc/49/72/58/854497258.db2.gz OWHFBCMKGHUAMD-HUUCEWRRSA-N 2 2 354.495 0.153 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001212483707 854497262 /nfs/dbraw/zinc/49/72/62/854497262.db2.gz OWHFBCMKGHUAMD-HUUCEWRRSA-N 2 2 354.495 0.153 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1OC ZINC001212483707 854497264 /nfs/dbraw/zinc/49/72/64/854497264.db2.gz OWHFBCMKGHUAMD-HUUCEWRRSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369598 854591236 /nfs/dbraw/zinc/59/12/36/854591236.db2.gz XTPURTAHJSTRFR-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369598 854591242 /nfs/dbraw/zinc/59/12/42/854591242.db2.gz XTPURTAHJSTRFR-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399848 854602480 /nfs/dbraw/zinc/60/24/80/854602480.db2.gz NXWZCLBYWVLMKS-BFYDXBDKSA-N 2 2 356.511 0.256 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399848 854602488 /nfs/dbraw/zinc/60/24/88/854602488.db2.gz NXWZCLBYWVLMKS-BFYDXBDKSA-N 2 2 356.511 0.256 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434821 854614486 /nfs/dbraw/zinc/61/44/86/854614486.db2.gz MKAIELBCJMIEJG-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434821 854614492 /nfs/dbraw/zinc/61/44/92/854614492.db2.gz MKAIELBCJMIEJG-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449373 854621789 /nfs/dbraw/zinc/62/17/89/854621789.db2.gz MKDQIXGKFJMTMC-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213449373 854621790 /nfs/dbraw/zinc/62/17/90/854621790.db2.gz MKDQIXGKFJMTMC-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213449373 854621792 /nfs/dbraw/zinc/62/17/92/854621792.db2.gz MKDQIXGKFJMTMC-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213449373 854621793 /nfs/dbraw/zinc/62/17/93/854621793.db2.gz MKDQIXGKFJMTMC-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC)[NH+](C)C ZINC001213460489 854626784 /nfs/dbraw/zinc/62/67/84/854626784.db2.gz QQNAZUQQKOKVEW-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC)[NH+](C)C ZINC001213460489 854626800 /nfs/dbraw/zinc/62/68/00/854626800.db2.gz QQNAZUQQKOKVEW-OWCLPIDISA-N 2 2 354.495 0.153 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593305 854678606 /nfs/dbraw/zinc/67/86/06/854678606.db2.gz TXVXPPDANVEXEC-BFYDXBDKSA-N 2 2 356.511 0.304 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593305 854678610 /nfs/dbraw/zinc/67/86/10/854678610.db2.gz TXVXPPDANVEXEC-BFYDXBDKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671912 854709525 /nfs/dbraw/zinc/70/95/25/854709525.db2.gz VVNKCZVJTCMTNB-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671912 854709529 /nfs/dbraw/zinc/70/95/29/854709529.db2.gz VVNKCZVJTCMTNB-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671912 854709535 /nfs/dbraw/zinc/70/95/35/854709535.db2.gz VVNKCZVJTCMTNB-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213671912 854709538 /nfs/dbraw/zinc/70/95/38/854709538.db2.gz VVNKCZVJTCMTNB-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001213718896 854734277 /nfs/dbraw/zinc/73/42/77/854734277.db2.gz FNEWNVXKHSSYAL-IAGOWNOFSA-N 2 2 352.479 0.841 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001213718896 854734285 /nfs/dbraw/zinc/73/42/85/854734285.db2.gz FNEWNVXKHSSYAL-IAGOWNOFSA-N 2 2 352.479 0.841 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754105 854751150 /nfs/dbraw/zinc/75/11/50/854751150.db2.gz UFNNDGSZWIFXOQ-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754105 854751156 /nfs/dbraw/zinc/75/11/56/854751156.db2.gz UFNNDGSZWIFXOQ-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759534 854755009 /nfs/dbraw/zinc/75/50/09/854755009.db2.gz PRWBDEKTDOEFEM-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759534 854755012 /nfs/dbraw/zinc/75/50/12/854755012.db2.gz PRWBDEKTDOEFEM-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213759534 854755021 /nfs/dbraw/zinc/75/50/21/854755021.db2.gz PRWBDEKTDOEFEM-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769366 854760715 /nfs/dbraw/zinc/76/07/15/854760715.db2.gz RSFZMVIZMLMGCG-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213769366 854760719 /nfs/dbraw/zinc/76/07/19/854760719.db2.gz RSFZMVIZMLMGCG-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213769366 854760723 /nfs/dbraw/zinc/76/07/23/854760723.db2.gz RSFZMVIZMLMGCG-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213769366 854760726 /nfs/dbraw/zinc/76/07/26/854760726.db2.gz RSFZMVIZMLMGCG-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863328 854797412 /nfs/dbraw/zinc/79/74/12/854797412.db2.gz KDOYLEAFLXIYJE-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863328 854797417 /nfs/dbraw/zinc/79/74/17/854797417.db2.gz KDOYLEAFLXIYJE-BFHYXJOUSA-N 2 2 367.412 0.723 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001213925880 854827776 /nfs/dbraw/zinc/82/77/76/854827776.db2.gz UQTKHUFYAGEJIC-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001213925880 854827779 /nfs/dbraw/zinc/82/77/79/854827779.db2.gz UQTKHUFYAGEJIC-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001213925880 854827783 /nfs/dbraw/zinc/82/77/83/854827783.db2.gz UQTKHUFYAGEJIC-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001213925880 854827788 /nfs/dbraw/zinc/82/77/88/854827788.db2.gz UQTKHUFYAGEJIC-QLFBSQMISA-N 2 2 363.449 0.958 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001214531101 854964227 /nfs/dbraw/zinc/96/42/27/854964227.db2.gz OGRWHZCMJBNACS-BFHYXJOUSA-N 2 2 356.492 0.460 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214530940 854964402 /nfs/dbraw/zinc/96/44/02/854964402.db2.gz JMONTYANRQPJHE-ZIAGYGMSSA-N 2 2 350.467 0.486 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001215680689 855135725 /nfs/dbraw/zinc/13/57/25/855135725.db2.gz JETIMGQMZPHZDW-ZYHUDNBSSA-N 2 2 361.368 0.457 20 0 FCADLP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215681012 855135737 /nfs/dbraw/zinc/13/57/37/855135737.db2.gz PNGGMVZPGCQITJ-GDBMZVCRSA-N 2 2 370.519 0.994 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630266 855219886 /nfs/dbraw/zinc/21/98/86/855219886.db2.gz AJFVHQMWKAQJAX-GDBMZVCRSA-N 2 2 370.519 0.614 20 0 FCADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001279102979 862657905 /nfs/dbraw/zinc/65/79/05/862657905.db2.gz ZJYUZVFEMRODCO-CHWSQXEVSA-N 2 2 364.881 0.814 20 0 FCADLP CNc1nc(Cl)ncc1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001279102979 862657909 /nfs/dbraw/zinc/65/79/09/862657909.db2.gz ZJYUZVFEMRODCO-CHWSQXEVSA-N 2 2 364.881 0.814 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]21)[NH+](C)C ZINC001218645989 855457416 /nfs/dbraw/zinc/45/74/16/855457416.db2.gz MWQRWRSMZNSXJH-HRCADAONSA-N 2 2 354.495 0.105 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]21)[NH+](C)C ZINC001218645989 855457420 /nfs/dbraw/zinc/45/74/20/855457420.db2.gz MWQRWRSMZNSXJH-HRCADAONSA-N 2 2 354.495 0.105 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646520 855457730 /nfs/dbraw/zinc/45/77/30/855457730.db2.gz SQPYIWGNSXHVNV-SOUVJXGZSA-N 2 2 354.495 0.010 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646520 855457732 /nfs/dbraw/zinc/45/77/32/855457732.db2.gz SQPYIWGNSXHVNV-SOUVJXGZSA-N 2 2 354.495 0.010 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646520 855457738 /nfs/dbraw/zinc/45/77/38/855457738.db2.gz SQPYIWGNSXHVNV-SOUVJXGZSA-N 2 2 354.495 0.010 20 0 FCADLP CNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646520 855457740 /nfs/dbraw/zinc/45/77/40/855457740.db2.gz SQPYIWGNSXHVNV-SOUVJXGZSA-N 2 2 354.495 0.010 20 0 FCADLP Nc1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(I)c1 ZINC001218680462 855463805 /nfs/dbraw/zinc/46/38/05/855463805.db2.gz YTCRVEUCLXPCRM-LNLATYFQSA-N 2 2 373.198 0.429 20 0 FCADLP CSc1nc(Br)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)n2ccnc12 ZINC001218687743 855464680 /nfs/dbraw/zinc/46/46/80/855464680.db2.gz ARTXPGVTCVMODQ-BQBZGAKWSA-N 2 2 371.264 0.841 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1 ZINC001218698530 855466573 /nfs/dbraw/zinc/46/65/73/855466573.db2.gz IXUQJVNMARDCFO-LBPRGKRZSA-N 2 2 350.810 0.803 20 0 FCADLP C[S@@](=O)c1nc(Cl)c(Br)c(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218802395 855480365 /nfs/dbraw/zinc/48/03/65/855480365.db2.gz MMHAEUIIYHINQQ-BKZONFQCSA-N 2 2 370.660 0.245 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819879 855482136 /nfs/dbraw/zinc/48/21/36/855482136.db2.gz QDZMANBJEFBQFJ-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819879 855482140 /nfs/dbraw/zinc/48/21/40/855482140.db2.gz QDZMANBJEFBQFJ-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218848195 855485801 /nfs/dbraw/zinc/48/58/01/855485801.db2.gz OFRAYPXFWRLQLZ-UHFFFAOYSA-N 2 2 351.432 0.090 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc2)CC1 ZINC001218845422 855485826 /nfs/dbraw/zinc/48/58/26/855485826.db2.gz AAFASKUQGSTMGL-KRWDZBQOSA-N 3 2 365.547 0.782 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006631 855510532 /nfs/dbraw/zinc/51/05/32/855510532.db2.gz PPUKVQXQBBQTKQ-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006631 855510535 /nfs/dbraw/zinc/51/05/35/855510535.db2.gz PPUKVQXQBBQTKQ-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006631 855510541 /nfs/dbraw/zinc/51/05/41/855510541.db2.gz PPUKVQXQBBQTKQ-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006631 855510551 /nfs/dbraw/zinc/51/05/51/855510551.db2.gz PPUKVQXQBBQTKQ-HZSPNIEDSA-N 2 2 367.412 0.553 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219006171 855511046 /nfs/dbraw/zinc/51/10/46/855511046.db2.gz BENGYJITJVWEIK-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219006171 855511051 /nfs/dbraw/zinc/51/10/51/855511051.db2.gz BENGYJITJVWEIK-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219006171 855511057 /nfs/dbraw/zinc/51/10/57/855511057.db2.gz BENGYJITJVWEIK-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]21 ZINC001219006171 855511061 /nfs/dbraw/zinc/51/10/61/855511061.db2.gz BENGYJITJVWEIK-JKSUJKDBSA-N 2 2 369.897 0.790 20 0 FCADLP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219460207 855678448 /nfs/dbraw/zinc/67/84/48/855678448.db2.gz QCWMNMJAONBIQZ-CABCVRRESA-N 2 2 354.401 0.905 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001219732486 855791042 /nfs/dbraw/zinc/79/10/42/855791042.db2.gz VVRLLAGMLBISLG-BBWFWOEESA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001219732486 855791044 /nfs/dbraw/zinc/79/10/44/855791044.db2.gz VVRLLAGMLBISLG-BBWFWOEESA-N 2 2 352.454 0.731 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802535 855820193 /nfs/dbraw/zinc/82/01/93/855820193.db2.gz SLKDHRRSIURYKV-CABCVRRESA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802535 855820195 /nfs/dbraw/zinc/82/01/95/855820195.db2.gz SLKDHRRSIURYKV-CABCVRRESA-N 2 2 352.504 0.906 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803680 855821762 /nfs/dbraw/zinc/82/17/62/855821762.db2.gz CYMPWOYUUTUJJU-IKGGRYGDSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803680 855821767 /nfs/dbraw/zinc/82/17/67/855821767.db2.gz CYMPWOYUUTUJJU-IKGGRYGDSA-N 2 2 350.463 0.547 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804292 855822428 /nfs/dbraw/zinc/82/24/28/855822428.db2.gz RKFOYTQMHSMQRE-PMPSAXMXSA-N 2 2 350.463 0.739 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219804292 855822435 /nfs/dbraw/zinc/82/24/35/855822435.db2.gz RKFOYTQMHSMQRE-PMPSAXMXSA-N 2 2 350.463 0.739 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001219842738 855842147 /nfs/dbraw/zinc/84/21/47/855842147.db2.gz WCVWATINHDVHDC-VYDXJSESSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001219842738 855842150 /nfs/dbraw/zinc/84/21/50/855842150.db2.gz WCVWATINHDVHDC-VYDXJSESSA-N 2 2 350.463 0.338 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894268 855866883 /nfs/dbraw/zinc/86/68/83/855866883.db2.gz XWAWVZYBABGCEV-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894268 855866888 /nfs/dbraw/zinc/86/68/88/855866888.db2.gz XWAWVZYBABGCEV-UAGQMJEPSA-N 2 2 350.463 0.424 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893939 855867010 /nfs/dbraw/zinc/86/70/10/855867010.db2.gz REQJVDGEKLWMKO-UAGQMJEPSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893939 855867011 /nfs/dbraw/zinc/86/70/11/855867011.db2.gz REQJVDGEKLWMKO-UAGQMJEPSA-N 2 2 350.463 0.422 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908337 855874762 /nfs/dbraw/zinc/87/47/62/855874762.db2.gz BHTYRQWXPZFHIN-XHSDSOJGSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908337 855874764 /nfs/dbraw/zinc/87/47/64/855874764.db2.gz BHTYRQWXPZFHIN-XHSDSOJGSA-N 2 2 350.463 0.424 20 0 FCADLP COc1cc(CCNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc(OC)c1 ZINC001219907944 855874810 /nfs/dbraw/zinc/87/48/10/855874810.db2.gz KOZBWEJZYFFIFT-QGZVFWFLSA-N 2 2 350.463 0.113 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908591 855875408 /nfs/dbraw/zinc/87/54/08/855875408.db2.gz LPKVCLFALXXGKQ-XHSDSOJGSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908591 855875415 /nfs/dbraw/zinc/87/54/15/855875415.db2.gz LPKVCLFALXXGKQ-XHSDSOJGSA-N 2 2 350.463 0.422 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216516 856015286 /nfs/dbraw/zinc/01/52/86/856015286.db2.gz MWJXGCUVXFVBFA-IXDOHACOSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216516 856015291 /nfs/dbraw/zinc/01/52/91/856015291.db2.gz MWJXGCUVXFVBFA-IXDOHACOSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216516 856015294 /nfs/dbraw/zinc/01/52/94/856015294.db2.gz MWJXGCUVXFVBFA-IXDOHACOSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216516 856015299 /nfs/dbraw/zinc/01/52/99/856015299.db2.gz MWJXGCUVXFVBFA-IXDOHACOSA-N 2 2 357.495 0.074 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1O)CC2 ZINC001220224507 856018801 /nfs/dbraw/zinc/01/88/01/856018801.db2.gz QMZKKSYBVXKSFO-OIISXLGYSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O)CC2 ZINC001220224507 856018806 /nfs/dbraw/zinc/01/88/06/856018806.db2.gz QMZKKSYBVXKSFO-OIISXLGYSA-N 2 2 350.463 0.340 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](C)C ZINC001220299264 856051250 /nfs/dbraw/zinc/05/12/50/856051250.db2.gz XFIORGSOQOSREZ-QLFBSQMISA-N 2 2 357.886 0.284 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](C)C ZINC001220299264 856051257 /nfs/dbraw/zinc/05/12/57/856051257.db2.gz XFIORGSOQOSREZ-QLFBSQMISA-N 2 2 357.886 0.284 20 0 FCADLP CC(C)([NH3+])CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC001220535670 856171376 /nfs/dbraw/zinc/17/13/76/856171376.db2.gz IRWRGMHZDRZWQP-OAHLLOKOSA-N 3 2 368.503 0.268 20 0 FCADLP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220568118 856189110 /nfs/dbraw/zinc/18/91/10/856189110.db2.gz XAQZMZADTCTYIJ-KSSFIOAISA-N 2 2 353.463 0.527 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680983 856238359 /nfs/dbraw/zinc/23/83/59/856238359.db2.gz CRDMWTLFDUZODK-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680983 856238367 /nfs/dbraw/zinc/23/83/67/856238367.db2.gz CRDMWTLFDUZODK-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680983 856238375 /nfs/dbraw/zinc/23/83/75/856238375.db2.gz CRDMWTLFDUZODK-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680983 856238384 /nfs/dbraw/zinc/23/83/84/856238384.db2.gz CRDMWTLFDUZODK-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(Br)c1 ZINC001220846731 856335626 /nfs/dbraw/zinc/33/56/26/856335626.db2.gz IEWFSHPJOBLPDE-JQWIXIFHSA-N 2 2 356.220 0.541 20 0 FCADLP COCCC1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCS(=O)(=O)CC1 ZINC001221028024 856430573 /nfs/dbraw/zinc/43/05/73/856430573.db2.gz CFVGVLZEQXKVBC-HNNXBMFYSA-N 2 2 369.487 0.359 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001221073076 856448912 /nfs/dbraw/zinc/44/89/12/856448912.db2.gz FJWVTQIVIOTQTA-CVEARBPZSA-N 2 2 369.897 0.574 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001221073076 856448917 /nfs/dbraw/zinc/44/89/17/856448917.db2.gz FJWVTQIVIOTQTA-CVEARBPZSA-N 2 2 369.897 0.574 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)s1 ZINC001221079009 856451027 /nfs/dbraw/zinc/45/10/27/856451027.db2.gz CPPIQQVTQCZXDM-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)s1 ZINC001221079009 856451035 /nfs/dbraw/zinc/45/10/35/856451035.db2.gz CPPIQQVTQCZXDM-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091713 856459558 /nfs/dbraw/zinc/45/95/58/856459558.db2.gz VFQOLUFJOJBDNX-ZNMIVQPWSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091713 856459565 /nfs/dbraw/zinc/45/95/65/856459565.db2.gz VFQOLUFJOJBDNX-ZNMIVQPWSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091713 856459569 /nfs/dbraw/zinc/45/95/69/856459569.db2.gz VFQOLUFJOJBDNX-ZNMIVQPWSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091713 856459571 /nfs/dbraw/zinc/45/95/71/856459571.db2.gz VFQOLUFJOJBDNX-ZNMIVQPWSA-N 2 2 356.511 0.181 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221161412 856491674 /nfs/dbraw/zinc/49/16/74/856491674.db2.gz KXNBITKUDZCZKJ-BBWFWOEESA-N 2 2 350.463 0.784 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001221161412 856491679 /nfs/dbraw/zinc/49/16/79/856491679.db2.gz KXNBITKUDZCZKJ-BBWFWOEESA-N 2 2 350.463 0.784 20 0 FCADLP CC(C)CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461607 856576199 /nfs/dbraw/zinc/57/61/99/856576199.db2.gz QVOTWQFZSSUJRY-KZNAEPCWSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461607 856576203 /nfs/dbraw/zinc/57/62/03/856576203.db2.gz QVOTWQFZSSUJRY-KZNAEPCWSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001221461607 856576205 /nfs/dbraw/zinc/57/62/05/856576205.db2.gz QVOTWQFZSSUJRY-KZNAEPCWSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001221461607 856576209 /nfs/dbraw/zinc/57/62/09/856576209.db2.gz QVOTWQFZSSUJRY-KZNAEPCWSA-N 2 2 353.507 0.912 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001221560910 856606103 /nfs/dbraw/zinc/60/61/03/856606103.db2.gz OSWUORWFATXRFF-YYIAUSFCSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001221560910 856606106 /nfs/dbraw/zinc/60/61/06/856606106.db2.gz OSWUORWFATXRFF-YYIAUSFCSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560910 856606110 /nfs/dbraw/zinc/60/61/10/856606110.db2.gz OSWUORWFATXRFF-YYIAUSFCSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCCS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001221560910 856606113 /nfs/dbraw/zinc/60/61/13/856606113.db2.gz OSWUORWFATXRFF-YYIAUSFCSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616781 856625558 /nfs/dbraw/zinc/62/55/58/856625558.db2.gz UWYURDQFEHMXNQ-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616781 856625565 /nfs/dbraw/zinc/62/55/65/856625565.db2.gz UWYURDQFEHMXNQ-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640312 856634727 /nfs/dbraw/zinc/63/47/27/856634727.db2.gz LOSATOQJVMMCDD-BZUAXINKSA-N 2 2 350.463 0.467 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640312 856634729 /nfs/dbraw/zinc/63/47/29/856634729.db2.gz LOSATOQJVMMCDD-BZUAXINKSA-N 2 2 350.463 0.467 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221729336 856666961 /nfs/dbraw/zinc/66/69/61/856666961.db2.gz IZNPWQMQOGHILR-HZPDHXFCSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221729336 856666965 /nfs/dbraw/zinc/66/69/65/856666965.db2.gz IZNPWQMQOGHILR-HZPDHXFCSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813334 856695488 /nfs/dbraw/zinc/69/54/88/856695488.db2.gz GNNXRDIRTMXYLD-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813334 856695489 /nfs/dbraw/zinc/69/54/89/856695489.db2.gz GNNXRDIRTMXYLD-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813334 856695491 /nfs/dbraw/zinc/69/54/91/856695491.db2.gz GNNXRDIRTMXYLD-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813334 856695494 /nfs/dbraw/zinc/69/54/94/856695494.db2.gz GNNXRDIRTMXYLD-GVDBMIGSSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848321 856708036 /nfs/dbraw/zinc/70/80/36/856708036.db2.gz KIAPLIYYRUDGNU-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848321 856708043 /nfs/dbraw/zinc/70/80/43/856708043.db2.gz KIAPLIYYRUDGNU-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221878204 856720947 /nfs/dbraw/zinc/72/09/47/856720947.db2.gz GXLPQSBCRHIVIG-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221878204 856720953 /nfs/dbraw/zinc/72/09/53/856720953.db2.gz GXLPQSBCRHIVIG-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946894 856742851 /nfs/dbraw/zinc/74/28/51/856742851.db2.gz HYGODFICKRKNHW-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946894 856742853 /nfs/dbraw/zinc/74/28/53/856742853.db2.gz HYGODFICKRKNHW-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1nnsc1C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950572 856746252 /nfs/dbraw/zinc/74/62/52/856746252.db2.gz NWHUAZXPESEOTP-ZIAGYGMSSA-N 2 2 353.492 0.457 20 0 FCADLP Cc1nnsc1C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950572 856746258 /nfs/dbraw/zinc/74/62/58/856746258.db2.gz NWHUAZXPESEOTP-ZIAGYGMSSA-N 2 2 353.492 0.457 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018278 856769997 /nfs/dbraw/zinc/76/99/97/856769997.db2.gz VPGZHQCUSPIAIR-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222018278 856770007 /nfs/dbraw/zinc/77/00/07/856770007.db2.gz VPGZHQCUSPIAIR-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222051517 856785558 /nfs/dbraw/zinc/78/55/58/856785558.db2.gz YZSCLXYFBYEWRW-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222051517 856785561 /nfs/dbraw/zinc/78/55/61/856785561.db2.gz YZSCLXYFBYEWRW-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001222051517 856785565 /nfs/dbraw/zinc/78/55/65/856785565.db2.gz YZSCLXYFBYEWRW-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001222051517 856785567 /nfs/dbraw/zinc/78/55/67/856785567.db2.gz YZSCLXYFBYEWRW-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570109 856925831 /nfs/dbraw/zinc/92/58/31/856925831.db2.gz JHJJYPBCWGGQGI-GDBMZVCRSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001226565243 857110862 /nfs/dbraw/zinc/11/08/62/857110862.db2.gz XXCYNOXNVWYPID-BFHYXJOUSA-N 2 2 355.462 0.407 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001227840106 857179438 /nfs/dbraw/zinc/17/94/38/857179438.db2.gz YTWIABQUNVFUPD-BZUAXINKSA-N 2 2 368.503 0.725 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227848661 857180629 /nfs/dbraw/zinc/18/06/29/857180629.db2.gz RZRGTAWGQDXEBL-HUUCEWRRSA-N 2 2 356.492 0.725 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001234392857 857402984 /nfs/dbraw/zinc/40/29/84/857402984.db2.gz QAVUBEIWHZMLNP-DJIMGWMZSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001234392857 857402992 /nfs/dbraw/zinc/40/29/92/857402992.db2.gz QAVUBEIWHZMLNP-DJIMGWMZSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001234392857 857402995 /nfs/dbraw/zinc/40/29/95/857402995.db2.gz QAVUBEIWHZMLNP-DJIMGWMZSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001234392857 857402997 /nfs/dbraw/zinc/40/29/97/857402997.db2.gz QAVUBEIWHZMLNP-DJIMGWMZSA-N 2 2 350.507 0.728 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)O1 ZINC001235468065 857424933 /nfs/dbraw/zinc/42/49/33/857424933.db2.gz IGCCFHYFJBYVPM-CAOSSQGBSA-N 2 2 353.463 0.744 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)O1 ZINC001235468065 857424937 /nfs/dbraw/zinc/42/49/37/857424937.db2.gz IGCCFHYFJBYVPM-CAOSSQGBSA-N 2 2 353.463 0.744 20 0 FCADLP [NH3+]CCS(=O)(=O)Nc1cc(I)c2[nH+]ccn2c1 ZINC001237528794 857454207 /nfs/dbraw/zinc/45/42/07/857454207.db2.gz HCZXTFDISZESRS-UHFFFAOYSA-N 2 2 366.184 0.639 20 0 FCADLP S=C(NCc1ccc(Cl)cc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239437689 857528774 /nfs/dbraw/zinc/52/87/74/857528774.db2.gz CDWITEMZDKAWFJ-UHFFFAOYSA-N 2 2 355.939 0.799 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC001246102233 857568820 /nfs/dbraw/zinc/56/88/20/857568820.db2.gz SHFTVGGTWGCBLJ-ROUUACIJSA-N 3 2 366.531 0.174 20 0 FCADLP CCOC1(OCC)CC[NH2+]C[C@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246121741 857569191 /nfs/dbraw/zinc/56/91/91/857569191.db2.gz SFVSTINKPRNULY-QLFBSQMISA-N 2 2 357.495 0.779 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC001246102231 857569337 /nfs/dbraw/zinc/56/93/37/857569337.db2.gz SHFTVGGTWGCBLJ-MSOLQXFVSA-N 3 2 366.531 0.174 20 0 FCADLP CCOC(=O)[C@@H]1CN([C@H]2C[NH2+][C@](CC)(C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247007263 857608933 /nfs/dbraw/zinc/60/89/33/857608933.db2.gz KBJZTCVMWSVUGH-GLJUWKHASA-N 2 2 353.463 0.145 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=S)NCC[NH+](C)C ZINC001249835038 857652153 /nfs/dbraw/zinc/65/21/53/857652153.db2.gz USNWJSWXKPGGLX-RHSMWYFYSA-N 2 2 372.535 0.151 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])NCC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001250950401 857670768 /nfs/dbraw/zinc/67/07/68/857670768.db2.gz PRTHTRZEHZFAHY-UHFFFAOYSA-N 2 2 355.483 0.520 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])NC[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251340496 857717861 /nfs/dbraw/zinc/71/78/61/857717861.db2.gz ZAOMGJAXNKYJOA-QGZVFWFLSA-N 2 2 355.483 0.520 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C(=O)OC)CC2)cc1 ZINC001252445600 857808394 /nfs/dbraw/zinc/80/83/94/857808394.db2.gz VSLTWDVPAQGBQZ-INIZCTEOSA-N 2 2 350.415 0.561 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccns2)C[C@]2(CCCC(=O)N2)C1 ZINC001279556076 862956144 /nfs/dbraw/zinc/95/61/44/862956144.db2.gz LLINMFVJVBBAHD-KRWDZBQOSA-N 2 2 351.520 0.861 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccns2)C[C@]2(CCCC(=O)N2)C1 ZINC001279556076 862956156 /nfs/dbraw/zinc/95/61/56/862956156.db2.gz LLINMFVJVBBAHD-KRWDZBQOSA-N 2 2 351.520 0.861 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001253185101 857870210 /nfs/dbraw/zinc/87/02/10/857870210.db2.gz CDIMSRFJFCZHSG-KRWDZBQOSA-N 2 2 353.507 0.793 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001253411889 857887442 /nfs/dbraw/zinc/88/74/42/857887442.db2.gz YFNLMRXWVNQXKK-HNNXBMFYSA-N 2 2 370.519 0.155 20 0 FCADLP CC(C)[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001253762002 857910634 /nfs/dbraw/zinc/91/06/34/857910634.db2.gz ZEBCQJRMWQHQDU-IRXDYDNUSA-N 2 2 351.495 0.844 20 0 FCADLP CC(C)[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001253762002 857910637 /nfs/dbraw/zinc/91/06/37/857910637.db2.gz ZEBCQJRMWQHQDU-IRXDYDNUSA-N 2 2 351.495 0.844 20 0 FCADLP COC(C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2)OC ZINC001279585635 862969378 /nfs/dbraw/zinc/96/93/78/862969378.db2.gz NIYNWMVCGXNOAS-OWCLPIDISA-N 2 2 353.463 0.001 20 0 FCADLP COC(C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2)OC ZINC001279585635 862969385 /nfs/dbraw/zinc/96/93/85/862969385.db2.gz NIYNWMVCGXNOAS-OWCLPIDISA-N 2 2 353.463 0.001 20 0 FCADLP COC(C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2)OC ZINC001279586989 862969397 /nfs/dbraw/zinc/96/93/97/862969397.db2.gz ZZBLJCJLCYOPEZ-XHSDSOJGSA-N 2 2 353.463 0.001 20 0 FCADLP COC(C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2)OC ZINC001279586989 862969403 /nfs/dbraw/zinc/96/94/03/862969403.db2.gz ZZBLJCJLCYOPEZ-XHSDSOJGSA-N 2 2 353.463 0.001 20 0 FCADLP CS(=O)(=O)N1CCOCC2(CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)C1 ZINC001256078373 858053151 /nfs/dbraw/zinc/05/31/51/858053151.db2.gz LQDIOAKRBDSLSM-UHFFFAOYSA-N 2 2 371.547 0.987 20 0 FCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257721586 858157451 /nfs/dbraw/zinc/15/74/51/858157451.db2.gz YOAPVYBYBJMCPB-DGAVXFQQSA-N 2 2 358.435 0.378 20 0 FCADLP CN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258414255 858197266 /nfs/dbraw/zinc/19/72/66/858197266.db2.gz RPOXBSDLTGJUGF-CQSZACIVSA-N 2 2 364.515 0.991 20 0 FCADLP CN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258414255 858197271 /nfs/dbraw/zinc/19/72/71/858197271.db2.gz RPOXBSDLTGJUGF-CQSZACIVSA-N 2 2 364.515 0.991 20 0 FCADLP Cc1nn(C)c(C)c1S(=O)(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001260110058 858333283 /nfs/dbraw/zinc/33/32/83/858333283.db2.gz XAWFYACNJBOTDJ-UHFFFAOYSA-N 2 2 369.535 0.685 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCC(C)(C)F)CC2)CC1 ZINC001261691067 858632739 /nfs/dbraw/zinc/63/27/39/858632739.db2.gz CZSRBUXOZAOOKY-UHFFFAOYSA-N 2 2 356.486 0.916 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC001262059716 858768584 /nfs/dbraw/zinc/76/85/84/858768584.db2.gz HQEMQFQRBZIWDE-ZOWXZIJZSA-N 2 2 352.866 0.912 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@@H+]1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262378994 858894835 /nfs/dbraw/zinc/89/48/35/858894835.db2.gz PTVIIVJIHMSWBQ-RBSFLKMASA-N 2 2 355.508 0.700 20 0 FCADLP CN(C)S(=O)(=O)n1ccnc1C[N@H+]1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262378994 858894841 /nfs/dbraw/zinc/89/48/41/858894841.db2.gz PTVIIVJIHMSWBQ-RBSFLKMASA-N 2 2 355.508 0.700 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267218069 859501002 /nfs/dbraw/zinc/50/10/02/859501002.db2.gz XKULUYYRSZNRTD-ZIAGYGMSSA-N 2 2 363.487 0.803 20 0 FCADLP Cc1csc(=O)n1CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267218069 859501006 /nfs/dbraw/zinc/50/10/06/859501006.db2.gz XKULUYYRSZNRTD-ZIAGYGMSSA-N 2 2 363.487 0.803 20 0 FCADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001272466628 860160167 /nfs/dbraw/zinc/16/01/67/860160167.db2.gz DWYNXVGXVGFSOD-WTXIUTQJSA-N 2 2 352.435 0.149 20 0 FCADLP CC[N@@H+]1CCC[C@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001273249574 860426364 /nfs/dbraw/zinc/42/63/64/860426364.db2.gz WRYSSSSUTXJESX-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP CC[N@H+]1CCC[C@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001273249574 860426374 /nfs/dbraw/zinc/42/63/74/860426374.db2.gz WRYSSSSUTXJESX-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)CC1 ZINC001273848446 860617269 /nfs/dbraw/zinc/61/72/69/860617269.db2.gz QVKZUUHYBWKFNX-ROUUACIJSA-N 2 2 351.539 0.249 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)CC1 ZINC001273848446 860617272 /nfs/dbraw/zinc/61/72/72/860617272.db2.gz QVKZUUHYBWKFNX-ROUUACIJSA-N 2 2 351.539 0.249 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(C(=O)C1(C)CC[NH+](C)CC1)C2 ZINC001274402680 860743835 /nfs/dbraw/zinc/74/38/35/860743835.db2.gz WMQBKZFCEOQEJF-UHFFFAOYSA-N 2 2 350.507 0.731 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2CN(C(=O)N3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280303551 863397847 /nfs/dbraw/zinc/39/78/47/863397847.db2.gz XCNLZCGNHYHDIY-CALCHBBNSA-N 2 2 354.495 0.618 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)N3CC[NH+](C)CC3)C[C@H]2CC1 ZINC001280303551 863397860 /nfs/dbraw/zinc/39/78/60/863397860.db2.gz XCNLZCGNHYHDIY-CALCHBBNSA-N 2 2 354.495 0.618 20 0 FCADLP C[NH+](C)CCN(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C1CCCC1 ZINC001349063757 866222317 /nfs/dbraw/zinc/22/23/17/866222317.db2.gz AVVZUPQJZLSSQX-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP C[NH+](C)CCN(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)C1CCCC1 ZINC001349063757 866222322 /nfs/dbraw/zinc/22/23/22/866222322.db2.gz AVVZUPQJZLSSQX-UHFFFAOYSA-N 2 2 354.495 0.951 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001350051892 866499274 /nfs/dbraw/zinc/49/92/74/866499274.db2.gz IVPZRNVCUJAKBP-MRXNPFEDSA-N 2 2 350.467 0.821 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001350051892 866499279 /nfs/dbraw/zinc/49/92/79/866499279.db2.gz IVPZRNVCUJAKBP-MRXNPFEDSA-N 2 2 350.467 0.821 20 0 FCADLP Cc1nn(CCO)c(C)c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001308245654 866711368 /nfs/dbraw/zinc/71/13/68/866711368.db2.gz AZJLSKSMJLSIKO-UHFFFAOYSA-N 2 2 351.495 0.525 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC001351129561 866787136 /nfs/dbraw/zinc/78/71/36/866787136.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC001351129561 866787144 /nfs/dbraw/zinc/78/71/44/866787144.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001351129561 866787158 /nfs/dbraw/zinc/78/71/58/866787158.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001351129561 866787164 /nfs/dbraw/zinc/78/71/64/866787164.db2.gz KYMQADDWNWLVFX-BRWVUGGUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001351786632 866967971 /nfs/dbraw/zinc/96/79/71/866967971.db2.gz GNCUKLCBYMIHFI-CGTJXYLNSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001351786632 866967978 /nfs/dbraw/zinc/96/79/78/866967978.db2.gz GNCUKLCBYMIHFI-CGTJXYLNSA-N 2 2 351.539 0.994 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCO1 ZINC001353311137 867392497 /nfs/dbraw/zinc/39/24/97/867392497.db2.gz NVIYIOCNYRNUMH-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCO1 ZINC001353311137 867392513 /nfs/dbraw/zinc/39/25/13/867392513.db2.gz NVIYIOCNYRNUMH-HNNXBMFYSA-N 2 2 354.495 0.555 20 0 FCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001318439969 867667323 /nfs/dbraw/zinc/66/73/23/867667323.db2.gz QHXJVQLRZDAHTE-HOTGVXAUSA-N 2 2 374.551 0.667 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001318439970 867667336 /nfs/dbraw/zinc/66/73/36/867667336.db2.gz QHXJVQLRZDAHTE-HZPDHXFCSA-N 2 2 374.551 0.667 20 0 FCADLP CN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[N@H+](C)C1 ZINC001355226824 867749506 /nfs/dbraw/zinc/74/95/06/867749506.db2.gz QZVYUGUQDNEQPO-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP CN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001355226824 867749520 /nfs/dbraw/zinc/74/95/20/867749520.db2.gz QZVYUGUQDNEQPO-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP COCCOC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC001318894000 867771955 /nfs/dbraw/zinc/77/19/55/867771955.db2.gz UWLZALOLIFKINT-UHFFFAOYSA-N 2 2 354.451 0.088 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001321683184 868570698 /nfs/dbraw/zinc/57/06/98/868570698.db2.gz XZAUHJWLZJYJHW-HZPDHXFCSA-N 2 2 372.535 0.421 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001321683184 868570706 /nfs/dbraw/zinc/57/07/06/868570706.db2.gz XZAUHJWLZJYJHW-HZPDHXFCSA-N 2 2 372.535 0.421 20 0 FCADLP NC(=O)CCS(=O)(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC001322059661 868724903 /nfs/dbraw/zinc/72/49/03/868724903.db2.gz XTFFPABYZOHBOG-UHFFFAOYSA-N 2 2 359.536 0.865 20 0 FCADLP CCOCCN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001322202254 868762265 /nfs/dbraw/zinc/76/22/65/868762265.db2.gz NCQNWZSKNZAZNK-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP COc1nc(Cl)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1C ZINC001323737523 869332151 /nfs/dbraw/zinc/33/21/51/869332151.db2.gz QVCUFQBRXYJNJM-UHFFFAOYSA-N 2 2 357.886 0.972 20 0 FCADLP [NH3+]C1(C[NH2+]CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001326584765 870396067 /nfs/dbraw/zinc/39/60/67/870396067.db2.gz ZCAGBWKLCUKQDH-CYBMUJFWSA-N 2 2 371.528 0.735 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001328495299 871462713 /nfs/dbraw/zinc/46/27/13/871462713.db2.gz VHYYCAOBBAEOHX-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606089 871928757 /nfs/dbraw/zinc/92/87/57/871928757.db2.gz JVJZUVIIEIDBCV-YVSFHVDLSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001346606089 871928769 /nfs/dbraw/zinc/92/87/69/871928769.db2.gz JVJZUVIIEIDBCV-YVSFHVDLSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001346606089 871928782 /nfs/dbraw/zinc/92/87/82/871928782.db2.gz JVJZUVIIEIDBCV-YVSFHVDLSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001346606089 871928788 /nfs/dbraw/zinc/92/87/88/871928788.db2.gz JVJZUVIIEIDBCV-YVSFHVDLSA-N 2 2 355.527 0.371 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001329410538 872009175 /nfs/dbraw/zinc/00/91/75/872009175.db2.gz OJNKCHFFHZVHEH-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001329410538 872009188 /nfs/dbraw/zinc/00/91/88/872009188.db2.gz OJNKCHFFHZVHEH-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491446 872065791 /nfs/dbraw/zinc/06/57/91/872065791.db2.gz SFKUWFQJVOUWBO-CABCVRRESA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491446 872065804 /nfs/dbraw/zinc/06/58/04/872065804.db2.gz SFKUWFQJVOUWBO-CABCVRRESA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1CN(C)CC[N@@H+]1C ZINC001347186439 872210178 /nfs/dbraw/zinc/21/01/78/872210178.db2.gz NEAKXFPMBNEYFG-YESZJQIVSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1CN(C)CC[N@H+]1C ZINC001347186439 872210200 /nfs/dbraw/zinc/21/02/00/872210200.db2.gz NEAKXFPMBNEYFG-YESZJQIVSA-N 2 2 355.527 0.373 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001348664102 872756104 /nfs/dbraw/zinc/75/61/04/872756104.db2.gz LSONFUUICSWWDB-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC001331690411 873197981 /nfs/dbraw/zinc/19/79/81/873197981.db2.gz USDVBTZNOZCEPE-CYBMUJFWSA-N 2 2 366.487 0.896 20 0 FCADLP C[S@@](=O)C1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]CC1 ZINC001332974996 873742119 /nfs/dbraw/zinc/74/21/19/873742119.db2.gz GSWUGKQEBNIROE-XMMPIXPASA-N 2 2 357.520 0.058 20 0 FCADLP C[NH+]1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)([NH+]2CCCCC2)CC1 ZINC000826021628 947407303 /nfs/dbraw/zinc/40/73/03/947407303.db2.gz AYNVGCKHBGVYAZ-UHFFFAOYSA-N 2 2 372.477 0.875 20 0 FCADLP O=C1NCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826482650 948396865 /nfs/dbraw/zinc/39/68/65/948396865.db2.gz MAFNTTIEXDKPAZ-MRXNPFEDSA-N 2 2 355.446 0.699 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574923651 948956417 /nfs/dbraw/zinc/95/64/17/948956417.db2.gz QINQMGSPDAHTDQ-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574942071 949333209 /nfs/dbraw/zinc/33/32/09/949333209.db2.gz JWYZVVDTSDYOPV-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574942071 949333231 /nfs/dbraw/zinc/33/32/31/949333231.db2.gz JWYZVVDTSDYOPV-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574728462 949984186 /nfs/dbraw/zinc/98/41/86/949984186.db2.gz ASGVBACEVHVUMG-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907937 950347482 /nfs/dbraw/zinc/34/74/82/950347482.db2.gz RLOSOGXVPCZNAJ-GXFFZTMASA-N 2 2 372.458 0.973 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576204603 950466809 /nfs/dbraw/zinc/46/68/09/950466809.db2.gz QNJMEYPEPDYTJM-AWEZNQCLSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205437 950518486 /nfs/dbraw/zinc/51/84/86/950518486.db2.gz IYAQSBGRCMNIHE-HOCLYGCPSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205437 950518504 /nfs/dbraw/zinc/51/85/04/950518504.db2.gz IYAQSBGRCMNIHE-HOCLYGCPSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205437 950518520 /nfs/dbraw/zinc/51/85/20/950518520.db2.gz IYAQSBGRCMNIHE-HOCLYGCPSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205437 950518541 /nfs/dbraw/zinc/51/85/41/950518541.db2.gz IYAQSBGRCMNIHE-HOCLYGCPSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576205663 950534068 /nfs/dbraw/zinc/53/40/68/950534068.db2.gz MCJPWJPXIYMUHO-AWEZNQCLSA-N 2 2 372.477 0.722 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026151 951472684 /nfs/dbraw/zinc/47/26/84/951472684.db2.gz TVCIUDFZWSWBHZ-HNNXBMFYSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026151 951472689 /nfs/dbraw/zinc/47/26/89/951472689.db2.gz TVCIUDFZWSWBHZ-HNNXBMFYSA-N 2 2 366.429 0.762 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571028563 951516528 /nfs/dbraw/zinc/51/65/28/951516528.db2.gz VVVIGMZQLFKXGX-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001571038227 951640781 /nfs/dbraw/zinc/64/07/81/951640781.db2.gz REDGLFMQZTVVIF-YPMHNXCESA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039128 951650970 /nfs/dbraw/zinc/65/09/70/951650970.db2.gz YEUAVWIVFORLFM-FZMZJTMJSA-N 2 2 367.417 0.359 20 0 FCADLP Cc1cc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039132 951650992 /nfs/dbraw/zinc/65/09/92/951650992.db2.gz YEUAVWIVFORLFM-SMDDNHRTSA-N 2 2 367.417 0.359 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571051741 951812249 /nfs/dbraw/zinc/81/22/49/951812249.db2.gz HVAGVHHDOUULGE-DVOMOZLQSA-N 2 2 368.445 0.251 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571051741 951812255 /nfs/dbraw/zinc/81/22/55/951812255.db2.gz HVAGVHHDOUULGE-DVOMOZLQSA-N 2 2 368.445 0.251 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575103393 951875408 /nfs/dbraw/zinc/87/54/08/951875408.db2.gz SYXOBGWCBMJVRS-NSHDSACASA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106242 951903540 /nfs/dbraw/zinc/90/35/40/951903540.db2.gz RJPGGSTZGJIJTH-ZDUSSCGKSA-N 2 2 354.418 0.605 20 0 FCADLP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC001571077089 952117879 /nfs/dbraw/zinc/11/78/79/952117879.db2.gz YEPREVVMXAGVOP-OLZOCXBDSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571077089 952117884 /nfs/dbraw/zinc/11/78/84/952117884.db2.gz YEPREVVMXAGVOP-OLZOCXBDSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575147421 952199679 /nfs/dbraw/zinc/19/96/79/952199679.db2.gz SWMROIRXIUICDM-LBPRGKRZSA-N 2 2 355.406 0.229 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571114710 952459255 /nfs/dbraw/zinc/45/92/55/952459255.db2.gz MNNNWPZDVPQVDN-KRWDZBQOSA-N 2 2 374.489 0.973 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001593775414 954603904 /nfs/dbraw/zinc/60/39/04/954603904.db2.gz OLQMAFUQUSIBIG-UHFFFAOYSA-N 2 2 369.510 0.203 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001593775414 954603907 /nfs/dbraw/zinc/60/39/07/954603907.db2.gz OLQMAFUQUSIBIG-UHFFFAOYSA-N 2 2 369.510 0.203 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3CCn4c[nH+]cc4C3)ccn2)CC1 ZINC000292293836 214091208 /nfs/dbraw/zinc/09/12/08/214091208.db2.gz HMHGPAIAHFTMDT-UHFFFAOYSA-N 2 2 355.446 0.755 20 0 FCADLP CN(CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237776 214286919 /nfs/dbraw/zinc/28/69/19/214286919.db2.gz PAKHZSAEWLKFSP-INIZCTEOSA-N 2 2 370.519 0.157 20 0 FCADLP CN(CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237776 214286922 /nfs/dbraw/zinc/28/69/22/214286922.db2.gz PAKHZSAEWLKFSP-INIZCTEOSA-N 2 2 370.519 0.157 20 0 FCADLP CN(CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237776 214286925 /nfs/dbraw/zinc/28/69/25/214286925.db2.gz PAKHZSAEWLKFSP-INIZCTEOSA-N 2 2 370.519 0.157 20 0 FCADLP CN(CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000295237776 214286928 /nfs/dbraw/zinc/28/69/28/214286928.db2.gz PAKHZSAEWLKFSP-INIZCTEOSA-N 2 2 370.519 0.157 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410626202 529408858 /nfs/dbraw/zinc/40/88/58/529408858.db2.gz YREQMNUSTRTZLN-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410626202 529408861 /nfs/dbraw/zinc/40/88/61/529408861.db2.gz YREQMNUSTRTZLN-IXDOHACOSA-N 2 2 364.490 0.005 20 0 FCADLP CC[C@]1(CO)CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410716469 529427199 /nfs/dbraw/zinc/42/71/99/529427199.db2.gz HMSCQPDNGGOWBS-LJQANCHMSA-N 2 2 368.522 0.234 20 0 FCADLP CC[C@]1(CO)CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410716469 529427204 /nfs/dbraw/zinc/42/72/04/529427204.db2.gz HMSCQPDNGGOWBS-LJQANCHMSA-N 2 2 368.522 0.234 20 0 FCADLP CC[C@H](C(=O)N[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC)[NH+](C)C ZINC000413428149 529612030 /nfs/dbraw/zinc/61/20/30/529612030.db2.gz PLQTZELQOAOEGV-ARFHVFGLSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000290932085 214003609 /nfs/dbraw/zinc/00/36/09/214003609.db2.gz VIQXVHAQPCTGMN-RDTXWAMCSA-N 2 2 372.469 0.892 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000290932085 214003612 /nfs/dbraw/zinc/00/36/12/214003612.db2.gz VIQXVHAQPCTGMN-RDTXWAMCSA-N 2 2 372.469 0.892 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000265630952 210183309 /nfs/dbraw/zinc/18/33/09/210183309.db2.gz RWCUKSBRZBOFAF-MRXNPFEDSA-N 2 2 363.462 0.438 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000265630952 210183313 /nfs/dbraw/zinc/18/33/13/210183313.db2.gz RWCUKSBRZBOFAF-MRXNPFEDSA-N 2 2 363.462 0.438 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000410745723 529903244 /nfs/dbraw/zinc/90/32/44/529903244.db2.gz OZVZOVFURPBBDD-QGZVFWFLSA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000410745723 529903246 /nfs/dbraw/zinc/90/32/46/529903246.db2.gz OZVZOVFURPBBDD-QGZVFWFLSA-N 2 2 366.506 0.108 20 0 FCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000331506353 215007853 /nfs/dbraw/zinc/00/78/53/215007853.db2.gz ZQQDMTZTWXDQRY-HLLBOEOZSA-N 2 2 374.485 0.719 20 0 FCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000331506353 215007858 /nfs/dbraw/zinc/00/78/58/215007858.db2.gz ZQQDMTZTWXDQRY-HLLBOEOZSA-N 2 2 374.485 0.719 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000331671979 215033101 /nfs/dbraw/zinc/03/31/01/215033101.db2.gz ZSISQEOYCQMAFT-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000331671979 215033102 /nfs/dbraw/zinc/03/31/02/215033102.db2.gz ZSISQEOYCQMAFT-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000331671979 215033105 /nfs/dbraw/zinc/03/31/05/215033105.db2.gz ZSISQEOYCQMAFT-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000331671979 215033108 /nfs/dbraw/zinc/03/31/08/215033108.db2.gz ZSISQEOYCQMAFT-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP NC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331812285 215050144 /nfs/dbraw/zinc/05/01/44/215050144.db2.gz FMVDLEUDWJKDMM-AWEZNQCLSA-N 2 2 351.476 0.135 20 0 FCADLP NC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000331812285 215050147 /nfs/dbraw/zinc/05/01/47/215050147.db2.gz FMVDLEUDWJKDMM-AWEZNQCLSA-N 2 2 351.476 0.135 20 0 FCADLP O=[S@](CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000332007746 215078248 /nfs/dbraw/zinc/07/82/48/215078248.db2.gz SHIHOQGYJGXVNN-XMMPIXPASA-N 2 2 352.500 0.953 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000332522513 215167758 /nfs/dbraw/zinc/16/77/58/215167758.db2.gz CTAMNKUIQKYLKU-GOSISDBHSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000332522513 215167761 /nfs/dbraw/zinc/16/77/61/215167761.db2.gz CTAMNKUIQKYLKU-GOSISDBHSA-N 2 2 373.501 0.837 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)C[C@@H]1C ZINC000332596273 215186436 /nfs/dbraw/zinc/18/64/36/215186436.db2.gz KZLCJWXNGPVYEW-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)C[C@@H]1C ZINC000332596273 215186438 /nfs/dbraw/zinc/18/64/38/215186438.db2.gz KZLCJWXNGPVYEW-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)C[C@@H]1C ZINC000332596273 215186442 /nfs/dbraw/zinc/18/64/42/215186442.db2.gz KZLCJWXNGPVYEW-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)C[C@@H]1C ZINC000332596273 215186445 /nfs/dbraw/zinc/18/64/45/215186445.db2.gz KZLCJWXNGPVYEW-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000332661684 215200237 /nfs/dbraw/zinc/20/02/37/215200237.db2.gz ODAZVMFDXUBIOK-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332699748 215204857 /nfs/dbraw/zinc/20/48/57/215204857.db2.gz VVWXORDWFDLPNW-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000332816458 215212502 /nfs/dbraw/zinc/21/25/02/215212502.db2.gz GXDWOZQLYSLIEV-IKGGRYGDSA-N 2 2 353.511 0.127 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000333005413 215223740 /nfs/dbraw/zinc/22/37/40/215223740.db2.gz NSMQBXMLOJCIPX-RCCFBDPRSA-N 2 2 367.538 0.375 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068138 215231858 /nfs/dbraw/zinc/23/18/58/215231858.db2.gz JMMKWRHBLDRPDD-WBVHZDCISA-N 2 2 357.520 0.440 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068138 215231860 /nfs/dbraw/zinc/23/18/60/215231860.db2.gz JMMKWRHBLDRPDD-WBVHZDCISA-N 2 2 357.520 0.440 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000333172896 215245270 /nfs/dbraw/zinc/24/52/70/215245270.db2.gz QGOJJJCTJOZTEL-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000333172896 215245274 /nfs/dbraw/zinc/24/52/74/215245274.db2.gz QGOJJJCTJOZTEL-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)nc[nH+]1 ZINC000333442241 215282030 /nfs/dbraw/zinc/28/20/30/215282030.db2.gz WHAREIFTUZNFQS-RRFJBIMHSA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)[nH+]cn1 ZINC000333442241 215282031 /nfs/dbraw/zinc/28/20/31/215282031.db2.gz WHAREIFTUZNFQS-RRFJBIMHSA-N 2 2 359.478 0.881 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000333488112 215287974 /nfs/dbraw/zinc/28/79/74/215287974.db2.gz CDESMZNWRGGLNV-MHAAMQRSSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H](C)[N@H+]1C ZINC000333543069 215295021 /nfs/dbraw/zinc/29/50/21/215295021.db2.gz AUENLKAJIROJTI-IYBDPMFKSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H](C)[N@@H+]1C ZINC000333543069 215295024 /nfs/dbraw/zinc/29/50/24/215295024.db2.gz AUENLKAJIROJTI-IYBDPMFKSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333686059 215308701 /nfs/dbraw/zinc/30/87/01/215308701.db2.gz PHIRQLVRBMNWHO-ULQDDVLXSA-N 2 2 365.522 0.713 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1C ZINC000333714747 215312415 /nfs/dbraw/zinc/31/24/15/215312415.db2.gz SVRZWFKRSPJFHC-WWDZGPRUSA-N 2 2 367.538 0.565 20 0 FCADLP COCC[N@H+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1C ZINC000333714747 215312417 /nfs/dbraw/zinc/31/24/17/215312417.db2.gz SVRZWFKRSPJFHC-WWDZGPRUSA-N 2 2 367.538 0.565 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333714747 215312421 /nfs/dbraw/zinc/31/24/21/215312421.db2.gz SVRZWFKRSPJFHC-WWDZGPRUSA-N 2 2 367.538 0.565 20 0 FCADLP COCC[N@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000333714747 215312424 /nfs/dbraw/zinc/31/24/24/215312424.db2.gz SVRZWFKRSPJFHC-WWDZGPRUSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000333810946 215321337 /nfs/dbraw/zinc/32/13/37/215321337.db2.gz JHIUUPYIKMAUDC-ZACQAIPSSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000333840678 215324837 /nfs/dbraw/zinc/32/48/37/215324837.db2.gz ODZPBAPNPAAWLI-OWCLPIDISA-N 2 2 351.495 0.465 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333886082 215328781 /nfs/dbraw/zinc/32/87/81/215328781.db2.gz XEOTZULJSLFUIA-UHFFFAOYSA-N 2 2 372.477 0.585 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000285755222 213390126 /nfs/dbraw/zinc/39/01/26/213390126.db2.gz YZUQRZAILNEYCL-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000285755222 213390128 /nfs/dbraw/zinc/39/01/28/213390128.db2.gz YZUQRZAILNEYCL-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000285755222 213390132 /nfs/dbraw/zinc/39/01/32/213390132.db2.gz YZUQRZAILNEYCL-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3COC[C@H]3O)CC2)cc1 ZINC000285755222 213390134 /nfs/dbraw/zinc/39/01/34/213390134.db2.gz YZUQRZAILNEYCL-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285652592 213373311 /nfs/dbraw/zinc/37/33/11/213373311.db2.gz OKEZXOGHBKCYBX-UHFFFAOYSA-N 2 2 359.474 0.851 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285652592 213373315 /nfs/dbraw/zinc/37/33/15/213373315.db2.gz OKEZXOGHBKCYBX-UHFFFAOYSA-N 2 2 359.474 0.851 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1nccs1 ZINC000285631661 213370273 /nfs/dbraw/zinc/37/02/73/213370273.db2.gz UQLMXKJXKQZYKE-UHFFFAOYSA-N 2 2 367.519 0.286 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1nccs1 ZINC000285631661 213370274 /nfs/dbraw/zinc/37/02/74/213370274.db2.gz UQLMXKJXKQZYKE-UHFFFAOYSA-N 2 2 367.519 0.286 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(S(N)(=O)=O)CC3)c2cc1C ZINC000360604546 215365019 /nfs/dbraw/zinc/36/50/19/215365019.db2.gz NMYKITYDNNRELO-AWEZNQCLSA-N 2 2 366.487 0.767 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285545929 213356487 /nfs/dbraw/zinc/35/64/87/213356487.db2.gz IFEONXSMHZRTJB-RHSMWYFYSA-N 2 2 371.485 0.897 20 0 FCADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000361503249 215396518 /nfs/dbraw/zinc/39/65/18/215396518.db2.gz FJJDPRGLVBYUBF-INIZCTEOSA-N 2 2 369.473 0.564 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000285316689 213322996 /nfs/dbraw/zinc/32/29/96/213322996.db2.gz DQFPXCPACTZEGV-UHFFFAOYSA-N 2 2 370.457 0.746 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000285316689 213323000 /nfs/dbraw/zinc/32/30/00/213323000.db2.gz DQFPXCPACTZEGV-UHFFFAOYSA-N 2 2 370.457 0.746 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285079170 213278984 /nfs/dbraw/zinc/27/89/84/213278984.db2.gz JNJTVHISSVJGGJ-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285079170 213278987 /nfs/dbraw/zinc/27/89/87/213278987.db2.gz JNJTVHISSVJGGJ-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000284833433 213230760 /nfs/dbraw/zinc/23/07/60/213230760.db2.gz MRQRLIACVTXWOH-HNNXBMFYSA-N 2 2 359.474 0.497 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000284800852 213224302 /nfs/dbraw/zinc/22/43/02/213224302.db2.gz KZNGBNUQDOVSHG-INIZCTEOSA-N 2 2 359.474 0.766 20 0 FCADLP C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000284513684 213158536 /nfs/dbraw/zinc/15/85/36/213158536.db2.gz STHOWDWIWSBQQK-CABCVRRESA-N 2 2 366.462 0.083 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000284495560 213153562 /nfs/dbraw/zinc/15/35/62/213153562.db2.gz IJSPRTWFHSTAIK-UHFFFAOYSA-N 2 2 369.469 0.989 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000284495560 213153565 /nfs/dbraw/zinc/15/35/65/213153565.db2.gz IJSPRTWFHSTAIK-UHFFFAOYSA-N 2 2 369.469 0.989 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000284409312 213132809 /nfs/dbraw/zinc/13/28/09/213132809.db2.gz BKNCXBQSVXVGBN-HNNXBMFYSA-N 2 2 359.474 0.497 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000284409312 213132810 /nfs/dbraw/zinc/13/28/10/213132810.db2.gz BKNCXBQSVXVGBN-HNNXBMFYSA-N 2 2 359.474 0.497 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000284341117 213114727 /nfs/dbraw/zinc/11/47/27/213114727.db2.gz RFAFYTJGGXARNH-UHFFFAOYSA-N 2 2 354.414 0.970 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCSC1 ZINC000284187451 213094136 /nfs/dbraw/zinc/09/41/36/213094136.db2.gz UOAFPHUGFOKNED-QGZVFWFLSA-N 2 2 361.471 0.504 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000284150698 213085556 /nfs/dbraw/zinc/08/55/56/213085556.db2.gz YYPUNGBAQNZLIA-AWEZNQCLSA-N 2 2 361.421 0.775 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000284150698 213085560 /nfs/dbraw/zinc/08/55/60/213085560.db2.gz YYPUNGBAQNZLIA-AWEZNQCLSA-N 2 2 361.421 0.775 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000284090984 213072157 /nfs/dbraw/zinc/07/21/57/213072157.db2.gz NYPRODVEAFXSBD-HOTGVXAUSA-N 2 2 365.478 0.377 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000284090984 213072160 /nfs/dbraw/zinc/07/21/60/213072160.db2.gz NYPRODVEAFXSBD-HOTGVXAUSA-N 2 2 365.478 0.377 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000284024236 213057727 /nfs/dbraw/zinc/05/77/27/213057727.db2.gz KPERVAKQUQKBNE-UHFFFAOYSA-N 2 2 355.442 0.949 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283988948 213050122 /nfs/dbraw/zinc/05/01/22/213050122.db2.gz PQHVVJMFKHYUFC-DOTOQJQBSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988948 213050125 /nfs/dbraw/zinc/05/01/25/213050125.db2.gz PQHVVJMFKHYUFC-DOTOQJQBSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000283991959 213049744 /nfs/dbraw/zinc/04/97/44/213049744.db2.gz OQZSNZHJYGCXHZ-NVXWUHKLSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000283964280 213043823 /nfs/dbraw/zinc/04/38/23/213043823.db2.gz NLUFJJXTCVMZTB-HNNXBMFYSA-N 2 2 355.442 0.562 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000283964280 213043824 /nfs/dbraw/zinc/04/38/24/213043824.db2.gz NLUFJJXTCVMZTB-HNNXBMFYSA-N 2 2 355.442 0.562 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881411 213026996 /nfs/dbraw/zinc/02/69/96/213026996.db2.gz KBJKOVFTNWVOHJ-DOTOQJQBSA-N 2 2 355.442 0.636 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881411 213027000 /nfs/dbraw/zinc/02/70/00/213027000.db2.gz KBJKOVFTNWVOHJ-DOTOQJQBSA-N 2 2 355.442 0.636 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000283857136 213021071 /nfs/dbraw/zinc/02/10/71/213021071.db2.gz FZEZIARDPKELDI-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000283757430 213004599 /nfs/dbraw/zinc/00/45/99/213004599.db2.gz AWOLHDBKOQRRMC-HUUCEWRRSA-N 2 2 351.451 0.005 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000283757430 213004601 /nfs/dbraw/zinc/00/46/01/213004601.db2.gz AWOLHDBKOQRRMC-HUUCEWRRSA-N 2 2 351.451 0.005 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000411926255 237111355 /nfs/dbraw/zinc/11/13/55/237111355.db2.gz VBUGNNBIEPWRMX-GJZGRUSLSA-N 2 2 353.488 0.474 20 0 FCADLP COC[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000411926255 237111361 /nfs/dbraw/zinc/11/13/61/237111361.db2.gz VBUGNNBIEPWRMX-GJZGRUSLSA-N 2 2 353.488 0.474 20 0 FCADLP O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000411986259 237132193 /nfs/dbraw/zinc/13/21/93/237132193.db2.gz FKBIHEKHESBFNA-RTBURBONSA-N 2 2 361.486 0.708 20 0 FCADLP O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411997949 237136341 /nfs/dbraw/zinc/13/63/41/237136341.db2.gz VMBMONCNZKNHRR-IRXDYDNUSA-N 2 2 367.515 0.769 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000413208990 237291736 /nfs/dbraw/zinc/29/17/36/237291736.db2.gz UEIHOVMLJOKOGI-HNNXBMFYSA-N 2 2 367.494 0.816 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791780 216031626 /nfs/dbraw/zinc/03/16/26/216031626.db2.gz DAGNRBXKCLVTEF-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791780 216031628 /nfs/dbraw/zinc/03/16/28/216031628.db2.gz DAGNRBXKCLVTEF-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000413208995 237295342 /nfs/dbraw/zinc/29/53/42/237295342.db2.gz UEIHOVMLJOKOGI-OAHLLOKOSA-N 2 2 367.494 0.816 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000366809450 216036038 /nfs/dbraw/zinc/03/60/38/216036038.db2.gz VSZQFIDZXSHADT-KRWDZBQOSA-N 2 2 359.474 0.683 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000366809450 216036041 /nfs/dbraw/zinc/03/60/41/216036041.db2.gz VSZQFIDZXSHADT-KRWDZBQOSA-N 2 2 359.474 0.683 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)CN1CC[NH+]1CCOCC1 ZINC000367085617 216072332 /nfs/dbraw/zinc/07/23/32/216072332.db2.gz QQUDHBFIQIKRNC-IRXDYDNUSA-N 2 2 351.491 0.858 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000367295940 216103793 /nfs/dbraw/zinc/10/37/93/216103793.db2.gz MZPBJGMMGYAZBA-NVXWUHKLSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000367295940 216103796 /nfs/dbraw/zinc/10/37/96/216103796.db2.gz MZPBJGMMGYAZBA-NVXWUHKLSA-N 2 2 365.449 0.980 20 0 FCADLP Cc1nnc(COCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000367585134 216139234 /nfs/dbraw/zinc/13/92/34/216139234.db2.gz LTKSHVYICRWMIU-HNNXBMFYSA-N 2 2 367.519 0.990 20 0 FCADLP Cc1nnc(COCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000367585134 216139237 /nfs/dbraw/zinc/13/92/37/216139237.db2.gz LTKSHVYICRWMIU-HNNXBMFYSA-N 2 2 367.519 0.990 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000367719243 216153982 /nfs/dbraw/zinc/15/39/82/216153982.db2.gz HVQAMDJKSIHLNQ-IBGZPJMESA-N 2 2 361.486 0.980 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000367719243 216153984 /nfs/dbraw/zinc/15/39/84/216153984.db2.gz HVQAMDJKSIHLNQ-IBGZPJMESA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000367732465 216155497 /nfs/dbraw/zinc/15/54/97/216155497.db2.gz ZOQRBDFMWXHVRT-WMZOPIPTSA-N 2 2 373.501 0.769 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367643145 216145890 /nfs/dbraw/zinc/14/58/90/216145890.db2.gz LWIXFXKBTXZBDZ-ABSDTBQOSA-N 2 2 362.518 0.921 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000367953441 216182098 /nfs/dbraw/zinc/18/20/98/216182098.db2.gz UJGWCMMGLMAJFS-HNNXBMFYSA-N 2 2 351.451 0.152 20 0 FCADLP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000367953441 216182102 /nfs/dbraw/zinc/18/21/02/216182102.db2.gz UJGWCMMGLMAJFS-HNNXBMFYSA-N 2 2 351.451 0.152 20 0 FCADLP C[C@H]1CC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1n1cc[nH+]c1 ZINC000245579287 209370317 /nfs/dbraw/zinc/37/03/17/209370317.db2.gz BVUGRZWYCPTULF-NWDGAFQWSA-N 2 2 357.418 0.240 20 0 FCADLP C[C@H]1CC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@H]1n1cc[nH+]c1 ZINC000245579287 209370320 /nfs/dbraw/zinc/37/03/20/209370320.db2.gz BVUGRZWYCPTULF-NWDGAFQWSA-N 2 2 357.418 0.240 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000245439370 209367436 /nfs/dbraw/zinc/36/74/36/209367436.db2.gz SUFGYBSGCNAJDA-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000245439370 209367439 /nfs/dbraw/zinc/36/74/39/209367439.db2.gz SUFGYBSGCNAJDA-MSOLQXFVSA-N 2 2 374.529 0.961 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000236805486 209344548 /nfs/dbraw/zinc/34/45/48/209344548.db2.gz PPWJAMMTOQHKGL-HNNXBMFYSA-N 2 2 354.476 0.545 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH+](CC)CC2)([NH+]2CCOCC2)C1 ZINC000194991077 209331710 /nfs/dbraw/zinc/33/17/10/209331710.db2.gz DXXREXDDWOBVFZ-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP [NH3+]CCc1nc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000194831474 209329987 /nfs/dbraw/zinc/32/99/87/209329987.db2.gz GERLYOZVVVRGOU-OAHLLOKOSA-N 2 2 356.517 0.582 20 0 FCADLP C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000368634400 216273049 /nfs/dbraw/zinc/27/30/49/216273049.db2.gz UXMGCQSOVRHKLL-JKSUJKDBSA-N 2 2 356.492 0.818 20 0 FCADLP O=C1[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCN1c1ccccc1 ZINC000368681652 216281727 /nfs/dbraw/zinc/28/17/27/216281727.db2.gz ZRBCUBUJSVUZGH-GOSISDBHSA-N 2 2 359.470 0.951 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000368960875 216324986 /nfs/dbraw/zinc/32/49/86/216324986.db2.gz RNOLQICKABPZNQ-MRXNPFEDSA-N 2 2 355.442 0.818 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000368960875 216324989 /nfs/dbraw/zinc/32/49/89/216324989.db2.gz RNOLQICKABPZNQ-MRXNPFEDSA-N 2 2 355.442 0.818 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2nccn2-c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000191135772 209282898 /nfs/dbraw/zinc/28/28/98/209282898.db2.gz ZRNLVCALRLXHSD-KRWDZBQOSA-N 2 2 369.469 0.895 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000369264850 216371831 /nfs/dbraw/zinc/37/18/31/216371831.db2.gz CQRJDAIRJBVIHD-AWEZNQCLSA-N 2 2 370.453 0.567 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000369264850 216371835 /nfs/dbraw/zinc/37/18/35/216371835.db2.gz CQRJDAIRJBVIHD-AWEZNQCLSA-N 2 2 370.453 0.567 20 0 FCADLP CN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2C1=O ZINC000369266204 216372284 /nfs/dbraw/zinc/37/22/84/216372284.db2.gz KOZUAXQSOIJHRH-AWEZNQCLSA-N 2 2 370.453 0.811 20 0 FCADLP CN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2C1=O ZINC000369266204 216372285 /nfs/dbraw/zinc/37/22/85/216372285.db2.gz KOZUAXQSOIJHRH-AWEZNQCLSA-N 2 2 370.453 0.811 20 0 FCADLP CN(CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ncnc2nc[nH]c21 ZINC000369272340 216374497 /nfs/dbraw/zinc/37/44/97/216374497.db2.gz BBWPCOZJXKKPBA-CYBMUJFWSA-N 2 2 372.477 0.074 20 0 FCADLP CN(CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ncnc2nc[nH]c21 ZINC000369272340 216374500 /nfs/dbraw/zinc/37/45/00/216374500.db2.gz BBWPCOZJXKKPBA-CYBMUJFWSA-N 2 2 372.477 0.074 20 0 FCADLP CN(CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ncnc2[nH]cnc21 ZINC000369272340 216374502 /nfs/dbraw/zinc/37/45/02/216374502.db2.gz BBWPCOZJXKKPBA-CYBMUJFWSA-N 2 2 372.477 0.074 20 0 FCADLP CN(CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ncnc2[nH]cnc21 ZINC000369272340 216374504 /nfs/dbraw/zinc/37/45/04/216374504.db2.gz BBWPCOZJXKKPBA-CYBMUJFWSA-N 2 2 372.477 0.074 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(N4CCCC4)nn3)C2)CC1 ZINC000369273834 216375279 /nfs/dbraw/zinc/37/52/79/216375279.db2.gz JXXHIDGGDJAYIN-OAHLLOKOSA-N 2 2 358.490 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(N4CCCC4)nn3)C2)CC1 ZINC000369273834 216375283 /nfs/dbraw/zinc/37/52/83/216375283.db2.gz JXXHIDGGDJAYIN-OAHLLOKOSA-N 2 2 358.490 0.975 20 0 FCADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374177 216391588 /nfs/dbraw/zinc/39/15/88/216391588.db2.gz RBQPRGFJORSVAK-KGLIPLIRSA-N 2 2 353.511 0.757 20 0 FCADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374177 216391593 /nfs/dbraw/zinc/39/15/93/216391593.db2.gz RBQPRGFJORSVAK-KGLIPLIRSA-N 2 2 353.511 0.757 20 0 FCADLP C[C@H]1C[N@H+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCCO1 ZINC000277765613 212395642 /nfs/dbraw/zinc/39/56/42/212395642.db2.gz KVDRKTDHRPLBAO-HNNXBMFYSA-N 2 2 362.478 0.668 20 0 FCADLP C[C@H]1C[N@@H+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCCO1 ZINC000277765613 212395644 /nfs/dbraw/zinc/39/56/44/212395644.db2.gz KVDRKTDHRPLBAO-HNNXBMFYSA-N 2 2 362.478 0.668 20 0 FCADLP C[C@H]1C[N@H+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCCO1 ZINC000277765613 212395648 /nfs/dbraw/zinc/39/56/48/212395648.db2.gz KVDRKTDHRPLBAO-HNNXBMFYSA-N 2 2 362.478 0.668 20 0 FCADLP C[C@H]1C[N@@H+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCCO1 ZINC000277765613 212395650 /nfs/dbraw/zinc/39/56/50/212395650.db2.gz KVDRKTDHRPLBAO-HNNXBMFYSA-N 2 2 362.478 0.668 20 0 FCADLP CCc1onc(C)c1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188959000 209243057 /nfs/dbraw/zinc/24/30/57/209243057.db2.gz XEWHYMTVZFKNJV-UHFFFAOYSA-N 2 2 365.478 0.968 20 0 FCADLP CCc1onc(C)c1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188959000 209243060 /nfs/dbraw/zinc/24/30/60/209243060.db2.gz XEWHYMTVZFKNJV-UHFFFAOYSA-N 2 2 365.478 0.968 20 0 FCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188699648 209236826 /nfs/dbraw/zinc/23/68/26/209236826.db2.gz LIXFGQGMYMBAKE-KRWDZBQOSA-N 2 2 355.442 0.859 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@]1=O ZINC000277406219 212357123 /nfs/dbraw/zinc/35/71/23/212357123.db2.gz ZSWFSKQHYSBLGQ-PUAOIOHZSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@]1=O ZINC000277406219 212357127 /nfs/dbraw/zinc/35/71/27/212357127.db2.gz ZSWFSKQHYSBLGQ-PUAOIOHZSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188292075 209229330 /nfs/dbraw/zinc/22/93/30/209229330.db2.gz JVWUWSDJDOVTHS-MGPUTAFESA-N 2 2 374.485 0.932 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188292075 209229340 /nfs/dbraw/zinc/22/93/40/209229340.db2.gz JVWUWSDJDOVTHS-MGPUTAFESA-N 2 2 374.485 0.932 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188292075 209229343 /nfs/dbraw/zinc/22/93/43/209229343.db2.gz JVWUWSDJDOVTHS-MGPUTAFESA-N 2 2 374.485 0.932 20 0 FCADLP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326218 209228829 /nfs/dbraw/zinc/22/88/29/209228829.db2.gz JDEFQMBYEHTFEH-HXUWFJFHSA-N 2 2 374.485 0.886 20 0 FCADLP C[NH+](CCN1C(=O)NC(C)(C)C1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188326218 209228837 /nfs/dbraw/zinc/22/88/37/209228837.db2.gz JDEFQMBYEHTFEH-HXUWFJFHSA-N 2 2 374.485 0.886 20 0 FCADLP C[NH+](CCN1C(=O)NC(C)(C)C1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326218 209228843 /nfs/dbraw/zinc/22/88/43/209228843.db2.gz JDEFQMBYEHTFEH-HXUWFJFHSA-N 2 2 374.485 0.886 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000187684613 209216487 /nfs/dbraw/zinc/21/64/87/209216487.db2.gz DXWFHMUVXXMIOK-LJQANCHMSA-N 2 2 374.529 0.638 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000187684613 209216492 /nfs/dbraw/zinc/21/64/92/209216492.db2.gz DXWFHMUVXXMIOK-LJQANCHMSA-N 2 2 374.529 0.638 20 0 FCADLP COC[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000187492572 209212938 /nfs/dbraw/zinc/21/29/38/209212938.db2.gz KUWRERRRCKKFKT-CRAIPNDOSA-N 2 2 368.522 0.990 20 0 FCADLP COC[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000187492622 209212316 /nfs/dbraw/zinc/21/23/16/209212316.db2.gz KUWRERRRCKKFKT-YJBOKZPZSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000186940539 209201283 /nfs/dbraw/zinc/20/12/83/209201283.db2.gz FMVDTKOJGXIREL-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000186940539 209201291 /nfs/dbraw/zinc/20/12/91/209201291.db2.gz FMVDTKOJGXIREL-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000372586930 216907093 /nfs/dbraw/zinc/90/70/93/216907093.db2.gz UKJUGLOQXHMXOY-KRWDZBQOSA-N 2 2 359.536 0.989 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)N1CC[NH+](C)CC1 ZINC000275574627 212053833 /nfs/dbraw/zinc/05/38/33/212053833.db2.gz JBLVRSQTBSRTRA-JKSUJKDBSA-N 2 2 361.490 0.763 20 0 FCADLP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000414696878 245310323 /nfs/dbraw/zinc/31/03/23/245310323.db2.gz BOYYEBPNTAMTFR-UHFFFAOYSA-N 2 2 369.425 0.706 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1OCC(=O)N1CCOCC1 ZINC000414853329 245326562 /nfs/dbraw/zinc/32/65/62/245326562.db2.gz XMFOLXQEPHOKHP-INIZCTEOSA-N 2 2 363.458 0.774 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415188143 245357143 /nfs/dbraw/zinc/35/71/43/245357143.db2.gz AFDOCOOZEPOEPK-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000415188143 245357150 /nfs/dbraw/zinc/35/71/50/245357150.db2.gz AFDOCOOZEPOEPK-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000415241158 245368912 /nfs/dbraw/zinc/36/89/12/245368912.db2.gz RJSGWRQZJDTNCS-RHSMWYFYSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@]2(CCOC2)O1 ZINC000373394463 217014120 /nfs/dbraw/zinc/01/41/20/217014120.db2.gz NYSOADWVRIZKHK-YJBOKZPZSA-N 2 2 354.495 0.602 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000415273750 245374314 /nfs/dbraw/zinc/37/43/14/245374314.db2.gz SNRLZTXYFOMHHM-KRWDZBQOSA-N 2 2 373.501 0.712 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415339060 245392960 /nfs/dbraw/zinc/39/29/60/245392960.db2.gz AXKPTNOKXCSJQY-HNNXBMFYSA-N 2 2 359.474 0.193 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491375 217023669 /nfs/dbraw/zinc/02/36/69/217023669.db2.gz YMKRBNOULBIZGH-ZWKOTPCHSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491375 217023673 /nfs/dbraw/zinc/02/36/73/217023673.db2.gz YMKRBNOULBIZGH-ZWKOTPCHSA-N 2 2 353.507 0.960 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000275334822 212007988 /nfs/dbraw/zinc/00/79/88/212007988.db2.gz WNYKYEWOCXRPAN-UHFFFAOYSA-N 2 2 362.449 0.748 20 0 FCADLP CC1=C(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)n2ncnc2N1C ZINC000374232267 217111105 /nfs/dbraw/zinc/11/11/05/217111105.db2.gz RWNAFKSWFAXMPF-CABCVRRESA-N 2 2 373.505 0.848 20 0 FCADLP CC1=C(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)n2ncnc2N1C ZINC000374232267 217111108 /nfs/dbraw/zinc/11/11/08/217111108.db2.gz RWNAFKSWFAXMPF-CABCVRRESA-N 2 2 373.505 0.848 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374423757 217128943 /nfs/dbraw/zinc/12/89/43/217128943.db2.gz XNSHPUQXPLSLFA-LJISPDSOSA-N 2 2 356.467 0.031 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374423757 217128944 /nfs/dbraw/zinc/12/89/44/217128944.db2.gz XNSHPUQXPLSLFA-LJISPDSOSA-N 2 2 356.467 0.031 20 0 FCADLP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000375000405 217202375 /nfs/dbraw/zinc/20/23/75/217202375.db2.gz WKUJSVYYKQKJRQ-MRXNPFEDSA-N 2 2 365.518 0.935 20 0 FCADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000375251499 217240349 /nfs/dbraw/zinc/24/03/49/217240349.db2.gz WDAYNJXQLVQLKB-XKGZKEIXSA-N 2 2 359.470 0.570 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000182662243 209135139 /nfs/dbraw/zinc/13/51/39/209135139.db2.gz BZCHUIAUVPRSRF-OAHLLOKOSA-N 2 2 356.488 0.920 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nn1 ZINC000375304473 217247534 /nfs/dbraw/zinc/24/75/34/217247534.db2.gz TUJOBCDKKXJUJY-ZBFHGGJFSA-N 2 2 358.446 0.960 20 0 FCADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nn1 ZINC000375304473 217247539 /nfs/dbraw/zinc/24/75/39/217247539.db2.gz TUJOBCDKKXJUJY-ZBFHGGJFSA-N 2 2 358.446 0.960 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC000375315765 217249024 /nfs/dbraw/zinc/24/90/24/217249024.db2.gz UEIOSTQYNHINJH-UHFFFAOYSA-N 2 2 353.854 0.747 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000181858485 209123682 /nfs/dbraw/zinc/12/36/82/209123682.db2.gz AVCBEJGKZREQCY-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000181858485 209123686 /nfs/dbraw/zinc/12/36/86/209123686.db2.gz AVCBEJGKZREQCY-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(N4CCOCC4)ccn3)C2)CC1 ZINC000375534215 217280511 /nfs/dbraw/zinc/28/05/11/217280511.db2.gz NRWRADCUQIQXPC-MRXNPFEDSA-N 2 2 373.501 0.817 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(N4CCOCC4)ccn3)C2)CC1 ZINC000375534215 217280512 /nfs/dbraw/zinc/28/05/12/217280512.db2.gz NRWRADCUQIQXPC-MRXNPFEDSA-N 2 2 373.501 0.817 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc(OC)c1 ZINC000375834581 217323840 /nfs/dbraw/zinc/32/38/40/217323840.db2.gz NPSANTMTRQRSAQ-INIZCTEOSA-N 2 2 363.458 0.727 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000376193794 217367494 /nfs/dbraw/zinc/36/74/94/217367494.db2.gz GAQNAQUHQUUJMF-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376254082 217375884 /nfs/dbraw/zinc/37/58/84/217375884.db2.gz JLXPMGJVKVKQBF-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000376434745 217399536 /nfs/dbraw/zinc/39/95/36/217399536.db2.gz JGUCBDZDYNCVLJ-DLBZAZTESA-N 2 2 367.538 0.517 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419118904 245992576 /nfs/dbraw/zinc/99/25/76/245992576.db2.gz OIQGMMONLBUCNE-DLBZAZTESA-N 2 2 371.485 0.756 20 0 FCADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419158534 246024989 /nfs/dbraw/zinc/02/49/89/246024989.db2.gz WKHNWEKYAWEKTM-SJORKVTESA-N 2 2 367.453 0.562 20 0 FCADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419131972 246006948 /nfs/dbraw/zinc/00/69/48/246006948.db2.gz DFRZRGOABSCSKO-UHFFFAOYSA-N 2 2 369.469 0.954 20 0 FCADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419132390 246007115 /nfs/dbraw/zinc/00/71/15/246007115.db2.gz DTADLXBBDNGPDK-OAHLLOKOSA-N 2 2 357.458 0.938 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419160555 246027016 /nfs/dbraw/zinc/02/70/16/246027016.db2.gz ZKDKDJOICFZVMB-DOTOQJQBSA-N 2 2 369.469 0.938 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000419315238 246095974 /nfs/dbraw/zinc/09/59/74/246095974.db2.gz VLTNMLIPLUGBLR-UHFFFAOYSA-N 2 2 369.416 0.788 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000419836086 246311779 /nfs/dbraw/zinc/31/17/79/246311779.db2.gz XBNNVHIRSGKVFG-UHFFFAOYSA-N 2 2 362.478 0.412 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419846039 246317585 /nfs/dbraw/zinc/31/75/85/246317585.db2.gz QUMPCBLPVFWRBI-KRZKXXONSA-N 2 2 356.470 0.712 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419846038 246319294 /nfs/dbraw/zinc/31/92/94/246319294.db2.gz QUMPCBLPVFWRBI-GNJLHFKMSA-N 2 2 356.470 0.712 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419851231 246322690 /nfs/dbraw/zinc/32/26/90/246322690.db2.gz IPCDEXLSBLMEOD-UHFFFAOYSA-N 2 2 350.488 0.651 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419860574 246330327 /nfs/dbraw/zinc/33/03/27/246330327.db2.gz ONLFAHOUPXVNIG-SFHVURJKSA-N 2 2 358.486 0.755 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419912667 246366219 /nfs/dbraw/zinc/36/62/19/246366219.db2.gz LQJWQJWTFZLLMB-CQSZACIVSA-N 2 2 350.488 0.508 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419923472 246371229 /nfs/dbraw/zinc/37/12/29/246371229.db2.gz BDFDSCBFVZZWLE-OAHLLOKOSA-N 2 2 364.515 0.898 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419928881 246372761 /nfs/dbraw/zinc/37/27/61/246372761.db2.gz UJVKVGNHJQEGES-MRXNPFEDSA-N 2 2 374.485 0.072 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000419926361 246373589 /nfs/dbraw/zinc/37/35/89/246373589.db2.gz BELQOCARMXVWKW-GJZGRUSLSA-N 2 2 361.490 0.897 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419880896 246349072 /nfs/dbraw/zinc/34/90/72/246349072.db2.gz VLQHCSCEOUGKNA-UHFFFAOYSA-N 2 2 350.438 0.586 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419880896 246349078 /nfs/dbraw/zinc/34/90/78/246349078.db2.gz VLQHCSCEOUGKNA-UHFFFAOYSA-N 2 2 350.438 0.586 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419885584 246349722 /nfs/dbraw/zinc/34/97/22/246349722.db2.gz HOTKQSHIUBOEOE-NVXWUHKLSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419889330 246351464 /nfs/dbraw/zinc/35/14/64/246351464.db2.gz SCBDSAVMKJUHFN-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419891811 246354695 /nfs/dbraw/zinc/35/46/95/246354695.db2.gz NPNDMQQZBPMGAV-CABCVRRESA-N 2 2 364.515 0.897 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000419948725 246383237 /nfs/dbraw/zinc/38/32/37/246383237.db2.gz KNSNQJJKDZHXTK-INIZCTEOSA-N 3 2 367.538 0.025 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000419957494 246387837 /nfs/dbraw/zinc/38/78/37/246387837.db2.gz PNNIOZSCBOLKIL-CYBMUJFWSA-N 2 2 362.478 0.268 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972074 246395665 /nfs/dbraw/zinc/39/56/65/246395665.db2.gz XUAFRWSIRBMSLD-ZBFHGGJFSA-N 2 2 354.495 0.189 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000419981571 246399455 /nfs/dbraw/zinc/39/94/55/246399455.db2.gz UAIQNFJBOQUCRM-DOTOQJQBSA-N 2 2 361.490 0.776 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000419937669 246379184 /nfs/dbraw/zinc/37/91/84/246379184.db2.gz GKHJEEXCUJTRDE-HNNXBMFYSA-N 2 2 362.474 0.441 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000423357835 247012147 /nfs/dbraw/zinc/01/21/47/247012147.db2.gz BABLGFOCSGTDDI-BBWFWOEESA-N 2 2 366.506 0.141 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)[NH3+] ZINC000423372038 247013547 /nfs/dbraw/zinc/01/35/47/247013547.db2.gz QWIXANPXMZBDJO-CRAIPNDOSA-N 2 2 361.490 0.856 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000423373792 247016513 /nfs/dbraw/zinc/01/65/13/247016513.db2.gz SGLZDBZHTVVEKR-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP O=C(COC1CC[NH2+]CC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000423382538 247017882 /nfs/dbraw/zinc/01/78/82/247017882.db2.gz GIGVALRJTKKVAZ-GOSISDBHSA-N 2 2 361.486 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@H]1C[NH3+] ZINC000423399472 247020381 /nfs/dbraw/zinc/02/03/81/247020381.db2.gz WFNQKYUZAWEVAN-OWCLPIDISA-N 2 2 361.490 0.645 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1c(F)cccc1F ZINC000423409634 247022107 /nfs/dbraw/zinc/02/21/07/247022107.db2.gz CARHQTZGCPYUTH-CQSZACIVSA-N 2 2 352.389 0.938 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423307537 247000771 /nfs/dbraw/zinc/00/07/71/247000771.db2.gz HABFSCYONFOLPC-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423307537 247000778 /nfs/dbraw/zinc/00/07/78/247000778.db2.gz HABFSCYONFOLPC-BHIYHBOVSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000423310672 247001969 /nfs/dbraw/zinc/00/19/69/247001969.db2.gz AQJDJQAKWMOGRJ-XYJFISCASA-N 2 2 373.501 0.873 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326328 247004415 /nfs/dbraw/zinc/00/44/15/247004415.db2.gz MQBJZMDXGGYWIM-XUWVNRHRSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423326328 247004418 /nfs/dbraw/zinc/00/44/18/247004418.db2.gz MQBJZMDXGGYWIM-XUWVNRHRSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423490088 247038446 /nfs/dbraw/zinc/03/84/46/247038446.db2.gz HMINLUZTLUHNHW-NVXWUHKLSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685613 247108073 /nfs/dbraw/zinc/10/80/73/247108073.db2.gz SMQZKXNXMODNIP-XUWVNRHRSA-N 2 2 354.495 0.282 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423685613 247108079 /nfs/dbraw/zinc/10/80/79/247108079.db2.gz SMQZKXNXMODNIP-XUWVNRHRSA-N 2 2 354.495 0.282 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423688434 247110419 /nfs/dbraw/zinc/11/04/19/247110419.db2.gz WUYUNNVHDONQPN-RDJZCZTQSA-N 3 2 367.538 0.199 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423688434 247110422 /nfs/dbraw/zinc/11/04/22/247110422.db2.gz WUYUNNVHDONQPN-RDJZCZTQSA-N 3 2 367.538 0.199 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423688692 247111507 /nfs/dbraw/zinc/11/15/07/247111507.db2.gz XJTCJBSRAUAIPW-HOTGVXAUSA-N 2 2 354.495 0.284 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000423614205 247077066 /nfs/dbraw/zinc/07/70/66/247077066.db2.gz WXFPTKPMVGVRJR-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423615061 247077895 /nfs/dbraw/zinc/07/78/95/247077895.db2.gz QXARHMXIHUDCIF-JKSUJKDBSA-N 2 2 359.474 0.767 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423626156 247080818 /nfs/dbraw/zinc/08/08/18/247080818.db2.gz GVBDYGKSSUBFGP-HZPDHXFCSA-N 2 2 374.485 0.548 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000423641942 247087552 /nfs/dbraw/zinc/08/75/52/247087552.db2.gz JOKNHGJKLGVKDI-AWEZNQCLSA-N 2 2 359.474 0.746 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423646900 247091088 /nfs/dbraw/zinc/09/10/88/247091088.db2.gz ZUNPZIIJOBPKCD-DLBZAZTESA-N 2 2 374.485 0.418 20 0 FCADLP CC(C)(C[NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000423755118 247140703 /nfs/dbraw/zinc/14/07/03/247140703.db2.gz HAOYTRNEBWHUGB-AWEZNQCLSA-N 2 2 362.478 0.383 20 0 FCADLP CC(C)(C[NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000423755118 247140708 /nfs/dbraw/zinc/14/07/08/247140708.db2.gz HAOYTRNEBWHUGB-AWEZNQCLSA-N 2 2 362.478 0.383 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCC1 ZINC000423751866 247140722 /nfs/dbraw/zinc/14/07/22/247140722.db2.gz BTZBBNGZZRQMRS-CRAIPNDOSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCC1 ZINC000423751866 247140728 /nfs/dbraw/zinc/14/07/28/247140728.db2.gz BTZBBNGZZRQMRS-CRAIPNDOSA-N 2 2 374.489 0.526 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000423775279 247141472 /nfs/dbraw/zinc/14/14/72/247141472.db2.gz OPOBANFBBVRMHL-HNNXBMFYSA-N 2 2 360.462 0.104 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000423775279 247141476 /nfs/dbraw/zinc/14/14/76/247141476.db2.gz OPOBANFBBVRMHL-HNNXBMFYSA-N 2 2 360.462 0.104 20 0 FCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000423863396 247145479 /nfs/dbraw/zinc/14/54/79/247145479.db2.gz HZAOJEVVGUXAQA-DLBZAZTESA-N 2 2 361.490 0.990 20 0 FCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000423863396 247145496 /nfs/dbraw/zinc/14/54/96/247145496.db2.gz HZAOJEVVGUXAQA-DLBZAZTESA-N 2 2 361.490 0.990 20 0 FCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CC1 ZINC000423902060 247148328 /nfs/dbraw/zinc/14/83/28/247148328.db2.gz OQRUBNMDJDIOMS-KRWDZBQOSA-N 2 2 356.470 0.813 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000423725017 247125832 /nfs/dbraw/zinc/12/58/32/247125832.db2.gz SDLVUZQQJYQAAL-CQSZACIVSA-N 2 2 362.478 0.363 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000423724468 247127129 /nfs/dbraw/zinc/12/71/29/247127129.db2.gz HGXASAPVUYCOGE-QRQLOZEOSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[C@H]1C[NH3+] ZINC000423724468 247127136 /nfs/dbraw/zinc/12/71/36/247127136.db2.gz HGXASAPVUYCOGE-QRQLOZEOSA-N 2 2 372.513 0.958 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000423732184 247130086 /nfs/dbraw/zinc/13/00/86/247130086.db2.gz ZWICZADANIHBAN-CABCVRRESA-N 2 2 362.478 0.215 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424012537 247160261 /nfs/dbraw/zinc/16/02/61/247160261.db2.gz PLERQAKCBHNEFM-JKSUJKDBSA-N 2 2 350.438 0.535 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424012537 247160266 /nfs/dbraw/zinc/16/02/66/247160266.db2.gz PLERQAKCBHNEFM-JKSUJKDBSA-N 2 2 350.438 0.535 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340248 247197605 /nfs/dbraw/zinc/19/76/05/247197605.db2.gz XPCHEVMORRFOFI-NILFDRSVSA-N 2 2 366.487 0.471 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3([NH3+])CCOCC3)c2)CC1 ZINC000424176288 247176647 /nfs/dbraw/zinc/17/66/47/247176647.db2.gz RSTOTAGVLUFLIT-UHFFFAOYSA-N 2 2 360.458 0.797 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424170994 247176840 /nfs/dbraw/zinc/17/68/40/247176840.db2.gz BNXGXFZSDIMSML-CQSZACIVSA-N 2 2 355.433 0.993 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424495694 247239750 /nfs/dbraw/zinc/23/97/50/247239750.db2.gz REXGUBNXAJRLSQ-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424455671 247224503 /nfs/dbraw/zinc/22/45/03/247224503.db2.gz SVHSXWITXWUYIH-HZPDHXFCSA-N 2 2 374.489 0.689 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424474677 247231280 /nfs/dbraw/zinc/23/12/80/247231280.db2.gz YFXSYVSGECDBTQ-ZDUSSCGKSA-N 2 2 361.437 0.037 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NCCc1cn3ccccc3[nH+]1)CC[NH2+]CC2 ZINC000424551549 247262772 /nfs/dbraw/zinc/26/27/72/247262772.db2.gz OXKYXWLHCQEBLI-OAHLLOKOSA-N 2 2 369.469 0.984 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000425379183 247328535 /nfs/dbraw/zinc/32/85/35/247328535.db2.gz ABVQGAGYODPEKI-IBGZPJMESA-N 2 2 368.481 0.804 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425386202 247331306 /nfs/dbraw/zinc/33/13/06/247331306.db2.gz LQEKSKPRDHRTEH-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425386202 247331310 /nfs/dbraw/zinc/33/13/10/247331310.db2.gz LQEKSKPRDHRTEH-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000425393728 247331721 /nfs/dbraw/zinc/33/17/21/247331721.db2.gz DRJJTBIRQLAPMQ-YYIAUSFCSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000425393728 247331724 /nfs/dbraw/zinc/33/17/24/247331724.db2.gz DRJJTBIRQLAPMQ-YYIAUSFCSA-N 2 2 359.474 0.845 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425467245 247341624 /nfs/dbraw/zinc/34/16/24/247341624.db2.gz PWHIHQYEIBAPCI-UHFFFAOYSA-N 2 2 352.483 0.738 20 0 FCADLP CC(=O)N1CCC[C@@H]1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435556273 248000637 /nfs/dbraw/zinc/00/06/37/248000637.db2.gz KZJQKWBHKKWRJP-HZPDHXFCSA-N 2 2 359.474 0.902 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435622015 248004128 /nfs/dbraw/zinc/00/41/28/248004128.db2.gz BGJSPOBHVSYTQQ-OAHLLOKOSA-N 2 2 362.540 0.237 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000435622015 248004131 /nfs/dbraw/zinc/00/41/31/248004131.db2.gz BGJSPOBHVSYTQQ-OAHLLOKOSA-N 2 2 362.540 0.237 20 0 FCADLP Cn1cc[nH+]c1CN(CC(=O)NC(=O)NC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692190 248010528 /nfs/dbraw/zinc/01/05/28/248010528.db2.gz FSDZRLCBWRATRJ-AWEZNQCLSA-N 2 2 360.462 0.352 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000436052682 248030101 /nfs/dbraw/zinc/03/01/01/248030101.db2.gz CUVPAFWLAZGGNQ-RYUDHWBXSA-N 2 2 350.385 0.469 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000436052682 248030104 /nfs/dbraw/zinc/03/01/04/248030104.db2.gz CUVPAFWLAZGGNQ-RYUDHWBXSA-N 2 2 350.385 0.469 20 0 FCADLP C[C@H]1[NH2+]CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H]1C ZINC000436060854 248031092 /nfs/dbraw/zinc/03/10/92/248031092.db2.gz GOEIAEHJNLMIOI-IAGOWNOFSA-N 2 2 372.513 0.948 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1F ZINC000436062254 248031215 /nfs/dbraw/zinc/03/12/15/248031215.db2.gz VOQUVBFEHBCAHT-OAHLLOKOSA-N 2 2 350.438 0.761 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1F ZINC000436062254 248031219 /nfs/dbraw/zinc/03/12/19/248031219.db2.gz VOQUVBFEHBCAHT-OAHLLOKOSA-N 2 2 350.438 0.761 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441259306 248244986 /nfs/dbraw/zinc/24/49/86/248244986.db2.gz VEBUVGOUSRQYRS-IXDOHACOSA-N 2 2 367.490 0.582 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000441259306 248244989 /nfs/dbraw/zinc/24/49/89/248244989.db2.gz VEBUVGOUSRQYRS-IXDOHACOSA-N 2 2 367.490 0.582 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253162 248245129 /nfs/dbraw/zinc/24/51/29/248245129.db2.gz AKXJDFIVTYXRNM-KZNAEPCWSA-N 3 2 352.523 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000441253162 248245131 /nfs/dbraw/zinc/24/51/31/248245131.db2.gz AKXJDFIVTYXRNM-KZNAEPCWSA-N 3 2 352.523 0.770 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761977 248295603 /nfs/dbraw/zinc/29/56/03/248295603.db2.gz ZIXQSIAIMRIXSS-PBWFPOADSA-N 2 2 352.460 0.487 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761977 248295607 /nfs/dbraw/zinc/29/56/07/248295607.db2.gz ZIXQSIAIMRIXSS-PBWFPOADSA-N 2 2 352.460 0.487 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763214 248296025 /nfs/dbraw/zinc/29/60/25/248296025.db2.gz IHDFQZCUEQKQQQ-DLBZAZTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000442763214 248296028 /nfs/dbraw/zinc/29/60/28/248296028.db2.gz IHDFQZCUEQKQQQ-DLBZAZTESA-N 3 2 352.523 0.807 20 0 FCADLP C[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756425 248296143 /nfs/dbraw/zinc/29/61/43/248296143.db2.gz KGNPVNUQTKIEBD-ONXXMXGDSA-N 2 2 359.409 0.955 20 0 FCADLP C[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756425 248296146 /nfs/dbraw/zinc/29/61/46/248296146.db2.gz KGNPVNUQTKIEBD-ONXXMXGDSA-N 2 2 359.409 0.955 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442822915 248298268 /nfs/dbraw/zinc/29/82/68/248298268.db2.gz YFOIZKZVKXZUNP-BEFAXECRSA-N 2 2 369.506 0.877 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000444179768 248349401 /nfs/dbraw/zinc/34/94/01/248349401.db2.gz FTZPAPGNQNGMFX-YLJYHZDGSA-N 2 2 372.469 0.687 20 0 FCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000444168581 248350084 /nfs/dbraw/zinc/35/00/84/248350084.db2.gz PHYSVJDCWZQDTG-YJBOKZPZSA-N 2 2 365.478 0.686 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445983675 248381041 /nfs/dbraw/zinc/38/10/41/248381041.db2.gz RKBVCWSVROVLSI-AWEZNQCLSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)n2C ZINC000452800321 249332278 /nfs/dbraw/zinc/33/22/78/249332278.db2.gz VMGHYDKOKBZIDL-ZDUSSCGKSA-N 2 2 360.462 0.611 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)n2C ZINC000452800321 249332283 /nfs/dbraw/zinc/33/22/83/249332283.db2.gz VMGHYDKOKBZIDL-ZDUSSCGKSA-N 2 2 360.462 0.611 20 0 FCADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCO3)ccc21 ZINC000453646725 249349522 /nfs/dbraw/zinc/34/95/22/249349522.db2.gz QZLFCVUCHKBRHC-DOTOQJQBSA-N 2 2 360.458 0.621 20 0 FCADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc21 ZINC000453646725 249349528 /nfs/dbraw/zinc/34/95/28/249349528.db2.gz QZLFCVUCHKBRHC-DOTOQJQBSA-N 2 2 360.458 0.621 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)CC1 ZINC000271321615 211380600 /nfs/dbraw/zinc/38/06/00/211380600.db2.gz OXSCXUUHVYYULO-UHFFFAOYSA-N 2 2 370.461 0.235 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000271019223 211317852 /nfs/dbraw/zinc/31/78/52/211317852.db2.gz BFBQMGBCZNCAFD-QGZVFWFLSA-N 2 2 374.489 0.249 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000271019223 211317856 /nfs/dbraw/zinc/31/78/56/211317856.db2.gz BFBQMGBCZNCAFD-QGZVFWFLSA-N 2 2 374.489 0.249 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000270993440 211314288 /nfs/dbraw/zinc/31/42/88/211314288.db2.gz DRZOIIMJOHGMNW-HNNXBMFYSA-N 2 2 356.492 0.631 20 0 FCADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000270707807 211251979 /nfs/dbraw/zinc/25/19/79/211251979.db2.gz KNVPGZIPLWXZIX-IEBWSBKVSA-N 2 2 373.497 0.960 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000270509742 211212767 /nfs/dbraw/zinc/21/27/67/211212767.db2.gz QSMLXMOQMLMYSI-DLBZAZTESA-N 2 2 372.425 0.511 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000270509742 211212772 /nfs/dbraw/zinc/21/27/72/211212772.db2.gz QSMLXMOQMLMYSI-DLBZAZTESA-N 2 2 372.425 0.511 20 0 FCADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000471795362 250121183 /nfs/dbraw/zinc/12/11/83/250121183.db2.gz ZWUAXKLRPQGDRJ-ROUUACIJSA-N 2 2 358.486 0.617 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594683 250163708 /nfs/dbraw/zinc/16/37/08/250163708.db2.gz CSSSSUFKTHDXTB-CRAIPNDOSA-N 2 2 369.506 0.875 20 0 FCADLP CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000481146238 250316669 /nfs/dbraw/zinc/31/66/69/250316669.db2.gz QJXVYKBLVLUZJS-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481635568 250347535 /nfs/dbraw/zinc/34/75/35/250347535.db2.gz UQRZDDMXURPIMI-CWRNSKLLSA-N 2 2 353.511 0.839 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481635568 250347540 /nfs/dbraw/zinc/34/75/40/250347540.db2.gz UQRZDDMXURPIMI-CWRNSKLLSA-N 2 2 353.511 0.839 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853884 250368286 /nfs/dbraw/zinc/36/82/86/250368286.db2.gz DRWIVJHFBMKPRO-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853884 250368290 /nfs/dbraw/zinc/36/82/90/250368290.db2.gz DRWIVJHFBMKPRO-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000482157620 250378667 /nfs/dbraw/zinc/37/86/67/250378667.db2.gz MIGQHESXQGSOTB-SJORKVTESA-N 2 2 368.522 0.452 20 0 FCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@H](C)C1 ZINC000482157620 250378670 /nfs/dbraw/zinc/37/86/70/250378670.db2.gz MIGQHESXQGSOTB-SJORKVTESA-N 2 2 368.522 0.452 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCC1 ZINC000163574030 532970529 /nfs/dbraw/zinc/97/05/29/532970529.db2.gz ZBNMXSLSJMUZGR-MRXNPFEDSA-N 2 2 360.458 0.380 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073667623 208048891 /nfs/dbraw/zinc/04/88/91/208048891.db2.gz JQPHWPSDIBELQM-IAGOWNOFSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073652479 208050764 /nfs/dbraw/zinc/05/07/64/208050764.db2.gz FORMQHXECBRJQK-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP NC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000061758063 208012243 /nfs/dbraw/zinc/01/22/43/208012243.db2.gz XGGKBIWFISVKFO-UHFFFAOYSA-N 2 2 350.488 0.590 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCNS(=O)(=O)CC)CC2)CC1 ZINC000068830632 208029692 /nfs/dbraw/zinc/02/96/92/208029692.db2.gz CUWPDHSMMRAGQH-UHFFFAOYSA-N 2 2 374.551 0.192 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000073046896 208046120 /nfs/dbraw/zinc/04/61/20/208046120.db2.gz OOABHSRRPMCBJC-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000073046896 208046126 /nfs/dbraw/zinc/04/61/26/208046126.db2.gz OOABHSRRPMCBJC-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP C[C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCN(C)CC1 ZINC000074655818 208058541 /nfs/dbraw/zinc/05/85/41/208058541.db2.gz XQCHJNOFTZFSDT-KRWDZBQOSA-N 2 2 360.506 0.797 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCS(C)(=O)=O ZINC000076304881 208067869 /nfs/dbraw/zinc/06/78/69/208067869.db2.gz OHZYKTDAXFOMOL-UHFFFAOYSA-N 2 2 354.476 0.097 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCS(C)(=O)=O ZINC000076304881 208067874 /nfs/dbraw/zinc/06/78/74/208067874.db2.gz OHZYKTDAXFOMOL-UHFFFAOYSA-N 2 2 354.476 0.097 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077622161 208072150 /nfs/dbraw/zinc/07/21/50/208072150.db2.gz XYXPHBYGWNLKGY-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)oc1C ZINC000081043677 208096154 /nfs/dbraw/zinc/09/61/54/208096154.db2.gz BEBCAGPNTPUYNU-INIZCTEOSA-N 2 2 350.463 0.950 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)oc1C ZINC000081043677 208096161 /nfs/dbraw/zinc/09/61/61/208096161.db2.gz BEBCAGPNTPUYNU-INIZCTEOSA-N 2 2 350.463 0.950 20 0 FCADLP COC(=O)CNC(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969143 208097142 /nfs/dbraw/zinc/09/71/42/208097142.db2.gz YLEYLXKCECTDEU-UHFFFAOYSA-N 2 2 362.474 0.700 20 0 FCADLP COC(=O)CNC(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969143 208097146 /nfs/dbraw/zinc/09/71/46/208097146.db2.gz YLEYLXKCECTDEU-UHFFFAOYSA-N 2 2 362.474 0.700 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000083692772 208107856 /nfs/dbraw/zinc/10/78/56/208107856.db2.gz CJOPNBWKNLGNCO-QZTJIDSGSA-N 2 2 364.490 0.624 20 0 FCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000085796683 208112094 /nfs/dbraw/zinc/11/20/94/208112094.db2.gz MTNJUTVEOKHUKS-IAGOWNOFSA-N 2 2 359.536 0.702 20 0 FCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000085796683 208112101 /nfs/dbraw/zinc/11/21/01/208112101.db2.gz MTNJUTVEOKHUKS-IAGOWNOFSA-N 2 2 359.536 0.702 20 0 FCADLP Cc1nn(C)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1Br ZINC000089235978 208120962 /nfs/dbraw/zinc/12/09/62/208120962.db2.gz SEYQIJJYCBFJMJ-LLVKDONJSA-N 2 2 358.284 0.778 20 0 FCADLP Cc1nn(C)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1Br ZINC000089235978 208120966 /nfs/dbraw/zinc/12/09/66/208120966.db2.gz SEYQIJJYCBFJMJ-LLVKDONJSA-N 2 2 358.284 0.778 20 0 FCADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)CS(C)(=O)=O ZINC000093390951 208158266 /nfs/dbraw/zinc/15/82/66/208158266.db2.gz BHTKVTQTSOAHQU-AWEZNQCLSA-N 2 2 355.508 0.483 20 0 FCADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)CS(C)(=O)=O ZINC000093390951 208158272 /nfs/dbraw/zinc/15/82/72/208158272.db2.gz BHTKVTQTSOAHQU-AWEZNQCLSA-N 2 2 355.508 0.483 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000105162863 208193285 /nfs/dbraw/zinc/19/32/85/208193285.db2.gz GZOQUEDXMAJYBO-MRXNPFEDSA-N 2 2 361.494 0.334 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000105168781 208194717 /nfs/dbraw/zinc/19/47/17/208194717.db2.gz JPHYPSUTVUBYRA-IAGOWNOFSA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000105168781 208194726 /nfs/dbraw/zinc/19/47/26/208194726.db2.gz JPHYPSUTVUBYRA-IAGOWNOFSA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000105168781 208194733 /nfs/dbraw/zinc/19/47/33/208194733.db2.gz JPHYPSUTVUBYRA-IAGOWNOFSA-N 2 2 369.506 0.735 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000105168781 208194739 /nfs/dbraw/zinc/19/47/39/208194739.db2.gz JPHYPSUTVUBYRA-IAGOWNOFSA-N 2 2 369.506 0.735 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000105131421 208195210 /nfs/dbraw/zinc/19/52/10/208195210.db2.gz FBPCHCMAVJAUAN-UHFFFAOYSA-N 2 2 361.490 0.953 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000105131421 208195217 /nfs/dbraw/zinc/19/52/17/208195217.db2.gz FBPCHCMAVJAUAN-UHFFFAOYSA-N 2 2 361.490 0.953 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000110607870 208268819 /nfs/dbraw/zinc/26/88/19/208268819.db2.gz FKHWKEVDCIVRSR-HXUWFJFHSA-N 2 2 373.545 0.729 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000110607870 208268823 /nfs/dbraw/zinc/26/88/23/208268823.db2.gz FKHWKEVDCIVRSR-HXUWFJFHSA-N 2 2 373.545 0.729 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000112201025 208290023 /nfs/dbraw/zinc/29/00/23/208290023.db2.gz WTODSCSGOKSZFI-OAHLLOKOSA-N 2 2 352.479 0.751 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000112201025 208290026 /nfs/dbraw/zinc/29/00/26/208290026.db2.gz WTODSCSGOKSZFI-OAHLLOKOSA-N 2 2 352.479 0.751 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843181 208352369 /nfs/dbraw/zinc/35/23/69/208352369.db2.gz RAFCQIKRSDLVJK-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843181 208352371 /nfs/dbraw/zinc/35/23/71/208352371.db2.gz RAFCQIKRSDLVJK-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843181 208352374 /nfs/dbraw/zinc/35/23/74/208352374.db2.gz RAFCQIKRSDLVJK-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843181 208352375 /nfs/dbraw/zinc/35/23/75/208352375.db2.gz RAFCQIKRSDLVJK-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CS(=O)(=O)C(C)(C)C)CC2)CC1 ZINC000120048914 208372644 /nfs/dbraw/zinc/37/26/44/208372644.db2.gz MFEHUHIIIGUQOT-UHFFFAOYSA-N 2 2 359.536 0.875 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477478 210342790 /nfs/dbraw/zinc/34/27/90/210342790.db2.gz UKTYKVOFAFFGMA-RTBURBONSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477478 210342795 /nfs/dbraw/zinc/34/27/95/210342795.db2.gz UKTYKVOFAFFGMA-RTBURBONSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266477478 210342799 /nfs/dbraw/zinc/34/27/99/210342799.db2.gz UKTYKVOFAFFGMA-RTBURBONSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266477478 210342800 /nfs/dbraw/zinc/34/28/00/210342800.db2.gz UKTYKVOFAFFGMA-RTBURBONSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@@H+]1C ZINC000180886181 209103459 /nfs/dbraw/zinc/10/34/59/209103459.db2.gz JTEYLCTUGDIFCW-GOEBONIOSA-N 2 2 355.504 0.872 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000180886181 209103463 /nfs/dbraw/zinc/10/34/63/209103463.db2.gz JTEYLCTUGDIFCW-GOEBONIOSA-N 2 2 355.504 0.872 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000176410090 209001517 /nfs/dbraw/zinc/00/15/17/209001517.db2.gz PYKVKSXITLLEKH-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413567947 533186635 /nfs/dbraw/zinc/18/66/35/533186635.db2.gz BUFBMISKDXQMSM-FZKCQIBNSA-N 2 2 359.536 0.825 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413567947 533186641 /nfs/dbraw/zinc/18/66/41/533186641.db2.gz BUFBMISKDXQMSM-FZKCQIBNSA-N 2 2 359.536 0.825 20 0 FCADLP COCCO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000189667366 533196460 /nfs/dbraw/zinc/19/64/60/533196460.db2.gz ZFYCYTWXMJKVGM-KRWDZBQOSA-N 2 2 351.447 0.661 20 0 FCADLP COCCO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000189667366 533196464 /nfs/dbraw/zinc/19/64/64/533196464.db2.gz ZFYCYTWXMJKVGM-KRWDZBQOSA-N 2 2 351.447 0.661 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC1(O)CCOCC1 ZINC000189780717 533208962 /nfs/dbraw/zinc/20/89/62/533208962.db2.gz BNNJMEFHPQOWFF-INIZCTEOSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189780717 533208964 /nfs/dbraw/zinc/20/89/64/533208964.db2.gz BNNJMEFHPQOWFF-INIZCTEOSA-N 2 2 362.474 0.592 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178076203 209041753 /nfs/dbraw/zinc/04/17/53/209041753.db2.gz AHCVBXVKDNLYJU-SFHVURJKSA-N 2 2 373.501 0.384 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000178788477 209061508 /nfs/dbraw/zinc/06/15/08/209061508.db2.gz SOMAOXSBFQDIAN-OAHLLOKOSA-N 2 2 360.462 0.124 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)c2ccccc2)CC1 ZINC000178732551 209059546 /nfs/dbraw/zinc/05/95/46/209059546.db2.gz DHHGQPKDJWGSBI-OALUTQOASA-N 2 2 357.502 0.091 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)[NH+]1CCOCC1 ZINC000178870072 209063039 /nfs/dbraw/zinc/06/30/39/209063039.db2.gz TZZRSDYCCGZRBD-INIZCTEOSA-N 2 2 364.494 0.217 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1)[NH+]1CCOCC1 ZINC000178870072 209063043 /nfs/dbraw/zinc/06/30/43/209063043.db2.gz TZZRSDYCCGZRBD-INIZCTEOSA-N 2 2 364.494 0.217 20 0 FCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1COCC[NH2+]1 ZINC000178892131 209063587 /nfs/dbraw/zinc/06/35/87/209063587.db2.gz JYIRXARTSVXWHH-MRXNPFEDSA-N 2 2 352.866 0.567 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000179822084 209087050 /nfs/dbraw/zinc/08/70/50/209087050.db2.gz YUULCXAZHWZDSG-UHFFFAOYSA-N 2 2 362.478 0.643 20 0 FCADLP C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000071952074 221390021 /nfs/dbraw/zinc/39/00/21/221390021.db2.gz RVFSERWQYZKTEQ-INIZCTEOSA-N 2 2 352.504 0.857 20 0 FCADLP CNC(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000179013748 209070653 /nfs/dbraw/zinc/07/06/53/209070653.db2.gz VHDLKCSFBSRTIL-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP CNC(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000179013748 209070657 /nfs/dbraw/zinc/07/06/57/209070657.db2.gz VHDLKCSFBSRTIL-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000413797558 533517764 /nfs/dbraw/zinc/51/77/64/533517764.db2.gz XZOCQMQIGYDRPK-SOUVJXGZSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000413797558 533517769 /nfs/dbraw/zinc/51/77/69/533517769.db2.gz XZOCQMQIGYDRPK-SOUVJXGZSA-N 2 2 352.479 0.748 20 0 FCADLP C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000163289202 229201445 /nfs/dbraw/zinc/20/14/45/229201445.db2.gz KFZDJYWGZVABTM-ZFWWWQNUSA-N 2 2 352.464 0.478 20 0 FCADLP C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cnn(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000163289202 229201447 /nfs/dbraw/zinc/20/14/47/229201447.db2.gz KFZDJYWGZVABTM-ZFWWWQNUSA-N 2 2 352.464 0.478 20 0 FCADLP C[C@@H]1CC[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1n1cc[nH+]c1 ZINC000163288367 229202605 /nfs/dbraw/zinc/20/26/05/229202605.db2.gz BVUGRZWYCPTULF-NEPJUHHUSA-N 2 2 357.418 0.240 20 0 FCADLP C[C@@H]1CC[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C[C@@H]1n1cc[nH+]c1 ZINC000163288367 229202608 /nfs/dbraw/zinc/20/26/08/229202608.db2.gz BVUGRZWYCPTULF-NEPJUHHUSA-N 2 2 357.418 0.240 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000194992449 229271527 /nfs/dbraw/zinc/27/15/27/229271527.db2.gz XCIHVRQAAKCWPB-KURKYZTESA-N 2 2 369.554 0.621 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000194992449 229271530 /nfs/dbraw/zinc/27/15/30/229271530.db2.gz XCIHVRQAAKCWPB-KURKYZTESA-N 2 2 369.554 0.621 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000194992449 229271535 /nfs/dbraw/zinc/27/15/35/229271535.db2.gz XCIHVRQAAKCWPB-KURKYZTESA-N 2 2 369.554 0.621 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000194992449 229271541 /nfs/dbraw/zinc/27/15/41/229271541.db2.gz XCIHVRQAAKCWPB-KURKYZTESA-N 2 2 369.554 0.621 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410468349 230091760 /nfs/dbraw/zinc/09/17/60/230091760.db2.gz LYHXIJRYAXOGOJ-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410468349 230091762 /nfs/dbraw/zinc/09/17/62/230091762.db2.gz LYHXIJRYAXOGOJ-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000410474417 230093520 /nfs/dbraw/zinc/09/35/20/230093520.db2.gz XIUPRDGOMKKTIM-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000410474417 230093522 /nfs/dbraw/zinc/09/35/22/230093522.db2.gz XIUPRDGOMKKTIM-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000410474416 230094094 /nfs/dbraw/zinc/09/40/94/230094094.db2.gz XIUPRDGOMKKTIM-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000410474416 230094097 /nfs/dbraw/zinc/09/40/97/230094097.db2.gz XIUPRDGOMKKTIM-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000410476283 230094854 /nfs/dbraw/zinc/09/48/54/230094854.db2.gz PBKKXGFWJQAFOW-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000410476283 230094858 /nfs/dbraw/zinc/09/48/58/230094858.db2.gz PBKKXGFWJQAFOW-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000410476283 230094860 /nfs/dbraw/zinc/09/48/60/230094860.db2.gz PBKKXGFWJQAFOW-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000410476283 230094864 /nfs/dbraw/zinc/09/48/64/230094864.db2.gz PBKKXGFWJQAFOW-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410889455 230290546 /nfs/dbraw/zinc/29/05/46/230290546.db2.gz NLMJTMUTISRTOV-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC[C@@H]21 ZINC000934890649 674301527 /nfs/dbraw/zinc/30/15/27/674301527.db2.gz OMWZFDWCLRAVNR-BDXSIMOUSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC[C@@H]21 ZINC000934890649 674301532 /nfs/dbraw/zinc/30/15/32/674301532.db2.gz OMWZFDWCLRAVNR-BDXSIMOUSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000299681124 488866677 /nfs/dbraw/zinc/86/66/77/488866677.db2.gz RMSDZVMXMGTYIG-HOTGVXAUSA-N 2 2 361.490 0.559 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)[NH+]3CCOCC3)cn2)CC1 ZINC000278522203 488880100 /nfs/dbraw/zinc/88/01/00/488880100.db2.gz CSGPYMKZCNZDSF-UHFFFAOYSA-N 2 2 361.490 0.560 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CC[C@H](C[NH+]4CCOCC4)C3)nc[nH+]2)C1 ZINC000301475786 488881009 /nfs/dbraw/zinc/88/10/09/488881009.db2.gz WHKITBUIHPUFGE-SJORKVTESA-N 2 2 361.490 0.844 20 0 FCADLP C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000302469480 488889559 /nfs/dbraw/zinc/88/95/59/488889559.db2.gz CIYFSAKFGUZZPP-HOTGVXAUSA-N 2 2 363.506 0.967 20 0 FCADLP C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000302469480 488889563 /nfs/dbraw/zinc/88/95/63/488889563.db2.gz CIYFSAKFGUZZPP-HOTGVXAUSA-N 2 2 363.506 0.967 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363824831 488889935 /nfs/dbraw/zinc/88/99/35/488889935.db2.gz PNHJEZBRCIAVSD-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363824831 488889937 /nfs/dbraw/zinc/88/99/37/488889937.db2.gz PNHJEZBRCIAVSD-RDJZCZTQSA-N 2 2 365.522 0.807 20 0 FCADLP O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000278720587 488891812 /nfs/dbraw/zinc/89/18/12/488891812.db2.gz KQTQWTRURAMKCI-WOJBJXKFSA-N 2 2 369.465 0.521 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660969 488892731 /nfs/dbraw/zinc/89/27/31/488892731.db2.gz CLHCBENGRMVFKZ-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660969 488892734 /nfs/dbraw/zinc/89/27/34/488892734.db2.gz CLHCBENGRMVFKZ-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1)N1CCCC1 ZINC000363913135 488899895 /nfs/dbraw/zinc/89/98/95/488899895.db2.gz FZTKCFJUIKOVOL-IAGOWNOFSA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)N1CCCC1 ZINC000363913135 488899899 /nfs/dbraw/zinc/89/98/99/488899899.db2.gz FZTKCFJUIKOVOL-IAGOWNOFSA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1)N1CCCC1 ZINC000363913136 488900071 /nfs/dbraw/zinc/90/00/71/488900071.db2.gz FZTKCFJUIKOVOL-IRXDYDNUSA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1)N1CCCC1 ZINC000363913136 488900072 /nfs/dbraw/zinc/90/00/72/488900072.db2.gz FZTKCFJUIKOVOL-IRXDYDNUSA-N 2 2 363.506 0.563 20 0 FCADLP O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000278807703 488897185 /nfs/dbraw/zinc/89/71/85/488897185.db2.gz OZQJODJVWWDHCR-YESZJQIVSA-N 2 2 367.877 0.631 20 0 FCADLP O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000278807703 488897187 /nfs/dbraw/zinc/89/71/87/488897187.db2.gz OZQJODJVWWDHCR-YESZJQIVSA-N 2 2 367.877 0.631 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995696 488909188 /nfs/dbraw/zinc/90/91/88/488909188.db2.gz CBICPGNRZGKINQ-BEFAXECRSA-N 2 2 373.457 0.080 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)c1ccccc1 ZINC000278995696 488909190 /nfs/dbraw/zinc/90/91/90/488909190.db2.gz CBICPGNRZGKINQ-BEFAXECRSA-N 2 2 373.457 0.080 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258118 488909314 /nfs/dbraw/zinc/90/93/14/488909314.db2.gz MVGQLAFQOYCZRL-CHWSQXEVSA-N 2 2 351.476 0.662 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1nccs1 ZINC000325258118 488909319 /nfs/dbraw/zinc/90/93/19/488909319.db2.gz MVGQLAFQOYCZRL-CHWSQXEVSA-N 2 2 351.476 0.662 20 0 FCADLP COC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000278997056 488909722 /nfs/dbraw/zinc/90/97/22/488909722.db2.gz CFHCJTLAZLNEOV-SJORKVTESA-N 2 2 362.474 0.904 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000287840339 488912392 /nfs/dbraw/zinc/91/23/92/488912392.db2.gz LVCLFNRATDHIRR-RHSMWYFYSA-N 2 2 360.462 0.477 20 0 FCADLP Cc1nn(C)c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1Br ZINC000279201634 488924482 /nfs/dbraw/zinc/92/44/82/488924482.db2.gz UZQWMNPSAGXANG-UHFFFAOYSA-N 2 2 358.284 0.745 20 0 FCADLP CCOCCOCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364064356 488920136 /nfs/dbraw/zinc/92/01/36/488920136.db2.gz VEFYLHBCCOOOLE-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP CCOCCOCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364064356 488920139 /nfs/dbraw/zinc/92/01/39/488920139.db2.gz VEFYLHBCCOOOLE-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)Nc1nc(CCNC(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC000279159850 488921551 /nfs/dbraw/zinc/92/15/51/488921551.db2.gz FVIUCFXJAJTIGH-ZIAGYGMSSA-N 2 2 365.503 0.929 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)Nc1nc(CCNC(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC000279159850 488921552 /nfs/dbraw/zinc/92/15/52/488921552.db2.gz FVIUCFXJAJTIGH-ZIAGYGMSSA-N 2 2 365.503 0.929 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NCCc1csc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000279159850 488921554 /nfs/dbraw/zinc/92/15/54/488921554.db2.gz FVIUCFXJAJTIGH-ZIAGYGMSSA-N 2 2 365.503 0.929 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NCCc1csc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000279159850 488921556 /nfs/dbraw/zinc/92/15/56/488921556.db2.gz FVIUCFXJAJTIGH-ZIAGYGMSSA-N 2 2 365.503 0.929 20 0 FCADLP Cc1ccn(C[C@](C)(O)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(=O)c1 ZINC000279310069 488931872 /nfs/dbraw/zinc/93/18/72/488931872.db2.gz OGRSZKJFHALFTN-IBGZPJMESA-N 2 2 364.490 0.050 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCO1 ZINC000364203926 488935164 /nfs/dbraw/zinc/93/51/64/488935164.db2.gz ZMGYUFKBQCYHQD-MRXNPFEDSA-N 2 2 357.414 0.712 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364274720 488943076 /nfs/dbraw/zinc/94/30/76/488943076.db2.gz UVRKOEMVZMXCNP-ROUUACIJSA-N 2 2 351.491 0.668 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364274720 488943077 /nfs/dbraw/zinc/94/30/77/488943077.db2.gz UVRKOEMVZMXCNP-ROUUACIJSA-N 2 2 351.491 0.668 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364343368 488950217 /nfs/dbraw/zinc/95/02/17/488950217.db2.gz JFBUNSZUDXDYOQ-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364343368 488950221 /nfs/dbraw/zinc/95/02/21/488950221.db2.gz JFBUNSZUDXDYOQ-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC000328966075 488956356 /nfs/dbraw/zinc/95/63/56/488956356.db2.gz MRQLORNLAJPWHN-SJORKVTESA-N 2 2 359.474 0.135 20 0 FCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC000328966075 488956359 /nfs/dbraw/zinc/95/63/59/488956359.db2.gz MRQLORNLAJPWHN-SJORKVTESA-N 2 2 359.474 0.135 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000364411225 488957516 /nfs/dbraw/zinc/95/75/16/488957516.db2.gz XBFBZIYDQLAZKU-MRXNPFEDSA-N 2 2 368.547 0.830 20 0 FCADLP CN(C)C(=O)N1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000029926353 487734863 /nfs/dbraw/zinc/73/48/63/487734863.db2.gz FRYROCRLWWKHMF-UHFFFAOYSA-N 2 2 374.489 0.420 20 0 FCADLP CC(C)[C@H](C)[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000030150295 487740418 /nfs/dbraw/zinc/74/04/18/487740418.db2.gz OQVZRIRJQAJNLC-AWEZNQCLSA-N 2 2 359.478 0.988 20 0 FCADLP CC(C)[C@H](C)[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000030150295 487740421 /nfs/dbraw/zinc/74/04/21/487740421.db2.gz OQVZRIRJQAJNLC-AWEZNQCLSA-N 2 2 359.478 0.988 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)C2CCCC2)CC1 ZINC000042541127 487867442 /nfs/dbraw/zinc/86/74/42/487867442.db2.gz VTVMQKDWTHBCAV-UHFFFAOYSA-N 2 2 357.462 0.886 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)C2CCCC2)CC1 ZINC000042541127 487867448 /nfs/dbraw/zinc/86/74/48/487867448.db2.gz VTVMQKDWTHBCAV-UHFFFAOYSA-N 2 2 357.462 0.886 20 0 FCADLP NC(=O)CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000048026424 488055953 /nfs/dbraw/zinc/05/59/53/488055953.db2.gz GGRUSPAHHUJOPJ-UHFFFAOYSA-N 2 2 358.486 0.918 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000048549255 488073107 /nfs/dbraw/zinc/07/31/07/488073107.db2.gz VYGDHCGWVSDVDJ-INIZCTEOSA-N 2 2 372.477 0.573 20 0 FCADLP Cc1ccnc2nc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)nn21 ZINC000050799418 488114188 /nfs/dbraw/zinc/11/41/88/488114188.db2.gz WEYTVJQPFUXBFA-UHFFFAOYSA-N 2 2 357.462 0.721 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000052297866 488164078 /nfs/dbraw/zinc/16/40/78/488164078.db2.gz HVLDBOXRIXYRFN-UHFFFAOYSA-N 2 2 357.462 0.838 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000056493519 488257276 /nfs/dbraw/zinc/25/72/76/488257276.db2.gz NJSJBBYZERLUEX-UHFFFAOYSA-N 2 2 364.515 0.729 20 0 FCADLP CCC[NH+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000067949133 488358801 /nfs/dbraw/zinc/35/88/01/488358801.db2.gz RAMUXFQJRBIOOD-UHFFFAOYSA-N 2 2 367.519 0.550 20 0 FCADLP O=C(C[NH2+]C1(CO)CCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000069247184 488371678 /nfs/dbraw/zinc/37/16/78/488371678.db2.gz NTPJULCSIZWRIT-UHFFFAOYSA-N 2 2 363.458 0.588 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802059 488382725 /nfs/dbraw/zinc/38/27/25/488382725.db2.gz BAXDLCWQNOJGPF-QGZVFWFLSA-N 2 2 360.458 0.085 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072802059 488382726 /nfs/dbraw/zinc/38/27/26/488382726.db2.gz BAXDLCWQNOJGPF-QGZVFWFLSA-N 2 2 360.458 0.085 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccccc1 ZINC000073440795 488384658 /nfs/dbraw/zinc/38/46/58/488384658.db2.gz MWTKNCYRKWDLSG-MJGOQNOKSA-N 2 2 364.490 0.672 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134029 488387512 /nfs/dbraw/zinc/38/75/12/488387512.db2.gz IQENFMOXISUJDR-MSOLQXFVSA-N 2 2 368.570 0.195 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134029 488387513 /nfs/dbraw/zinc/38/75/13/488387513.db2.gz IQENFMOXISUJDR-MSOLQXFVSA-N 2 2 368.570 0.195 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134030 488387697 /nfs/dbraw/zinc/38/76/97/488387697.db2.gz IQENFMOXISUJDR-ZWKOTPCHSA-N 2 2 368.570 0.195 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074134030 488387698 /nfs/dbraw/zinc/38/76/98/488387698.db2.gz IQENFMOXISUJDR-ZWKOTPCHSA-N 2 2 368.570 0.195 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000182592292 488388593 /nfs/dbraw/zinc/38/85/93/488388593.db2.gz KOJWATXCCUOHFV-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000182592292 488388599 /nfs/dbraw/zinc/38/85/99/488388599.db2.gz KOJWATXCCUOHFV-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000182592292 488388602 /nfs/dbraw/zinc/38/86/02/488388602.db2.gz KOJWATXCCUOHFV-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000074201712 488389078 /nfs/dbraw/zinc/38/90/78/488389078.db2.gz RRCJOQAGXLTCTB-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000074201712 488389080 /nfs/dbraw/zinc/38/90/80/488389080.db2.gz RRCJOQAGXLTCTB-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000074286239 488389484 /nfs/dbraw/zinc/38/94/84/488389484.db2.gz DEJHVFSGRNMGHZ-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000185815447 488403261 /nfs/dbraw/zinc/40/32/61/488403261.db2.gz REDGZZPOCQSILC-MSOLQXFVSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@H](CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000185815447 488403263 /nfs/dbraw/zinc/40/32/63/488403263.db2.gz REDGZZPOCQSILC-MSOLQXFVSA-N 2 2 368.570 0.195 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(Cn2cncn2)CC1)[NH+]1CCOCC1 ZINC000186220018 488405201 /nfs/dbraw/zinc/40/52/01/488405201.db2.gz PHXPLIHDJOBZDS-UHFFFAOYSA-N 2 2 364.494 0.217 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000186615725 488407200 /nfs/dbraw/zinc/40/72/00/488407200.db2.gz QWWNAMPGJPBOHJ-UHFFFAOYSA-N 2 2 369.535 0.778 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000186611110 488407225 /nfs/dbraw/zinc/40/72/25/488407225.db2.gz HBASWUZFMQOLOB-UHFFFAOYSA-N 2 2 357.524 0.776 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](CO)O1 ZINC000189183275 488414304 /nfs/dbraw/zinc/41/43/04/488414304.db2.gz UOSQFRMKTFUYEN-PBHICJAKSA-N 2 2 354.495 0.336 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000077876997 488419292 /nfs/dbraw/zinc/41/92/92/488419292.db2.gz YGWQZYIMZLTCMP-GJZGRUSLSA-N 2 2 362.540 0.477 20 0 FCADLP O=C(C[NH2+][C@@H](CO)C1CCOCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000569842453 491197237 /nfs/dbraw/zinc/19/72/37/491197237.db2.gz IKFWZJQQTQGWCZ-KRWDZBQOSA-N 2 2 367.515 0.769 20 0 FCADLP NC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000079466492 488429922 /nfs/dbraw/zinc/42/99/22/488429922.db2.gz PSOYOYDTJZYISP-UHFFFAOYSA-N 2 2 359.474 0.464 20 0 FCADLP NC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000079465580 488430229 /nfs/dbraw/zinc/43/02/29/488430229.db2.gz SFPFMYULXAGJTK-UHFFFAOYSA-N 2 2 365.503 0.525 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000079796836 488431482 /nfs/dbraw/zinc/43/14/82/488431482.db2.gz PTHSHECPSSPJST-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000083693115 488447881 /nfs/dbraw/zinc/44/78/81/488447881.db2.gz MMPGTJUJYBMTKR-MRXNPFEDSA-N 2 2 356.511 0.585 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000083694062 488447952 /nfs/dbraw/zinc/44/79/52/488447952.db2.gz MJBNSGRCACWGQJ-MRXNPFEDSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268783677 488449380 /nfs/dbraw/zinc/44/93/80/488449380.db2.gz VCLHJXHXKIVCCL-MRXNPFEDSA-N 2 2 370.457 0.912 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000236680010 488453093 /nfs/dbraw/zinc/45/30/93/488453093.db2.gz RVEDQJVWPFRUKH-INIZCTEOSA-N 2 2 364.494 0.679 20 0 FCADLP C[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC[NH2+]C1 ZINC000237375765 488455662 /nfs/dbraw/zinc/45/56/62/488455662.db2.gz UVWQVLKZOGSRJN-LJQANCHMSA-N 2 2 374.489 0.352 20 0 FCADLP C[C@@]1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC[NH2+]C1 ZINC000237375765 488455664 /nfs/dbraw/zinc/45/56/64/488455664.db2.gz UVWQVLKZOGSRJN-LJQANCHMSA-N 2 2 374.489 0.352 20 0 FCADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237489203 488455787 /nfs/dbraw/zinc/45/57/87/488455787.db2.gz SCADAAHTEQPMBA-AWEZNQCLSA-N 2 2 364.877 0.977 20 0 FCADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000237816122 488457097 /nfs/dbraw/zinc/45/70/97/488457097.db2.gz NKOIWQMPUJAXHU-QGZVFWFLSA-N 2 2 354.458 0.805 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269038703 488464737 /nfs/dbraw/zinc/46/47/37/488464737.db2.gz VTQZNQMEOQDNPB-INIZCTEOSA-N 2 2 364.494 0.857 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269038703 488464741 /nfs/dbraw/zinc/46/47/41/488464741.db2.gz VTQZNQMEOQDNPB-INIZCTEOSA-N 2 2 364.494 0.857 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC000245944820 488467351 /nfs/dbraw/zinc/46/73/51/488467351.db2.gz WGZRHUCCJHAYBB-CEXWTWQISA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC000245944820 488467353 /nfs/dbraw/zinc/46/73/53/488467353.db2.gz WGZRHUCCJHAYBB-CEXWTWQISA-N 2 2 364.534 0.868 20 0 FCADLP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000245941772 488467712 /nfs/dbraw/zinc/46/77/12/488467712.db2.gz RBHPQTREKGGGAW-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000245941772 488467714 /nfs/dbraw/zinc/46/77/14/488467714.db2.gz RBHPQTREKGGGAW-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP CC1(C)[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]2CCCO[C@H]21 ZINC000245953112 488468307 /nfs/dbraw/zinc/46/83/07/488468307.db2.gz WUWQCNKYHFHIPV-JOCBIADPSA-N 2 2 351.491 0.713 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246074586 488469645 /nfs/dbraw/zinc/46/96/45/488469645.db2.gz CXLAPNMEDSNIDM-XMTFNYHQSA-N 2 2 370.538 0.687 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246074586 488469648 /nfs/dbraw/zinc/46/96/48/488469648.db2.gz CXLAPNMEDSNIDM-XMTFNYHQSA-N 2 2 370.538 0.687 20 0 FCADLP Cc1cccc(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000091811736 488469944 /nfs/dbraw/zinc/46/99/44/488469944.db2.gz RCUVMIMUDAPVHK-UHFFFAOYSA-N 2 2 366.531 0.913 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246151444 488470040 /nfs/dbraw/zinc/47/00/40/488470040.db2.gz PDYWVCGXGIXSAJ-DLBZAZTESA-N 2 2 356.511 0.585 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246151444 488470042 /nfs/dbraw/zinc/47/00/42/488470042.db2.gz PDYWVCGXGIXSAJ-DLBZAZTESA-N 2 2 356.511 0.585 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000269123621 488471563 /nfs/dbraw/zinc/47/15/63/488471563.db2.gz AFHNNCCOJDBIAS-UHFFFAOYSA-N 2 2 359.430 0.386 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000269123621 488471564 /nfs/dbraw/zinc/47/15/64/488471564.db2.gz AFHNNCCOJDBIAS-UHFFFAOYSA-N 2 2 359.430 0.386 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000246449852 488472990 /nfs/dbraw/zinc/47/29/90/488472990.db2.gz ONYPOTPPHJHONV-SQNIBIBYSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000246449852 488472992 /nfs/dbraw/zinc/47/29/92/488472992.db2.gz ONYPOTPPHJHONV-SQNIBIBYSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246529703 488473387 /nfs/dbraw/zinc/47/33/87/488473387.db2.gz WJPBEUAWMPTDCX-IXDOHACOSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246529703 488473390 /nfs/dbraw/zinc/47/33/90/488473390.db2.gz WJPBEUAWMPTDCX-IXDOHACOSA-N 2 2 356.511 0.752 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000093199735 488478569 /nfs/dbraw/zinc/47/85/69/488478569.db2.gz JMRHLCJJPYJXJY-INIZCTEOSA-N 2 2 372.391 0.770 20 0 FCADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)CS(=O)(=O)CC ZINC000093414089 488479441 /nfs/dbraw/zinc/47/94/41/488479441.db2.gz WHFUFJZNGFAGRP-OAHLLOKOSA-N 2 2 369.535 0.874 20 0 FCADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)CS(=O)(=O)CC ZINC000093414089 488479442 /nfs/dbraw/zinc/47/94/42/488479442.db2.gz WHFUFJZNGFAGRP-OAHLLOKOSA-N 2 2 369.535 0.874 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000246979502 488479434 /nfs/dbraw/zinc/47/94/34/488479434.db2.gz PSIRWUIVNMQASO-FMKPAKJESA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000246979502 488479436 /nfs/dbraw/zinc/47/94/36/488479436.db2.gz PSIRWUIVNMQASO-FMKPAKJESA-N 2 2 363.506 0.606 20 0 FCADLP O=C(C[C@H]1C[NH2+]CCO1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000269230279 488480593 /nfs/dbraw/zinc/48/05/93/488480593.db2.gz CGLAVUIGDBTUHV-KRWDZBQOSA-N 2 2 363.458 0.392 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)[NH+]1CCOCC1 ZINC000269233354 488481087 /nfs/dbraw/zinc/48/10/87/488481087.db2.gz KFXLADVMQUGGJT-LPHOPBHVSA-N 2 2 371.485 0.638 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000269270423 488485054 /nfs/dbraw/zinc/48/50/54/488485054.db2.gz LIGROWXHBDEXMC-UHFFFAOYSA-N 2 2 363.462 0.623 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000247556016 488487718 /nfs/dbraw/zinc/48/77/18/488487718.db2.gz QVMWPQJVQAEKHB-WBVHZDCISA-N 2 2 365.522 0.855 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000247556016 488487721 /nfs/dbraw/zinc/48/77/21/488487721.db2.gz QVMWPQJVQAEKHB-WBVHZDCISA-N 2 2 365.522 0.855 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(CO)CO ZINC000269327112 488492439 /nfs/dbraw/zinc/49/24/39/488492439.db2.gz UKKAVNOMETYRMN-UHFFFAOYSA-N 2 2 365.474 0.380 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(CO)CO ZINC000269327112 488492440 /nfs/dbraw/zinc/49/24/40/488492440.db2.gz UKKAVNOMETYRMN-UHFFFAOYSA-N 2 2 365.474 0.380 20 0 FCADLP CC(C)[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248253060 488494575 /nfs/dbraw/zinc/49/45/75/488494575.db2.gz SVYGUHTVHAXIGJ-BFYDXBDKSA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248253060 488494577 /nfs/dbraw/zinc/49/45/77/488494577.db2.gz SVYGUHTVHAXIGJ-BFYDXBDKSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248668638 488500556 /nfs/dbraw/zinc/50/05/56/488500556.db2.gz AISLZHUUTDVMMV-SQNIBIBYSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248668638 488500558 /nfs/dbraw/zinc/50/05/58/488500558.db2.gz AISLZHUUTDVMMV-SQNIBIBYSA-N 2 2 369.554 0.811 20 0 FCADLP CN(C(=O)Nc1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106449194 488514848 /nfs/dbraw/zinc/51/48/48/488514848.db2.gz UIFSSUOLKURPPT-UHFFFAOYSA-N 2 2 374.489 0.784 20 0 FCADLP CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000251786413 488517187 /nfs/dbraw/zinc/51/71/87/488517187.db2.gz WRLVATVYLRALSG-JFIYKMOQSA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000271444209 488520605 /nfs/dbraw/zinc/52/06/05/488520605.db2.gz DTLZAVNDKZFCDI-GOEBONIOSA-N 2 2 361.442 0.999 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000569991719 491208874 /nfs/dbraw/zinc/20/88/74/491208874.db2.gz DPRIERHIMRGWOK-OLZOCXBDSA-N 2 2 361.471 0.795 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000569991718 491208884 /nfs/dbraw/zinc/20/88/84/491208884.db2.gz DPRIERHIMRGWOK-CHWSQXEVSA-N 2 2 361.471 0.795 20 0 FCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261760977 488534624 /nfs/dbraw/zinc/53/46/24/488534624.db2.gz XSTZJOKSPQZDPN-INIZCTEOSA-N 2 2 363.487 0.817 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261758702 488534671 /nfs/dbraw/zinc/53/46/71/488534671.db2.gz VOBKYBYQBZGIOY-MRXNPFEDSA-N 2 2 352.504 0.416 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000112466266 488535005 /nfs/dbraw/zinc/53/50/05/488535005.db2.gz LKNIYYPTCPKMPK-UHFFFAOYSA-N 2 2 374.493 0.927 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000112466266 488535007 /nfs/dbraw/zinc/53/50/07/488535007.db2.gz LKNIYYPTCPKMPK-UHFFFAOYSA-N 2 2 374.493 0.927 20 0 FCADLP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000261788487 488536077 /nfs/dbraw/zinc/53/60/77/488536077.db2.gz KDWQODUQBPNQDG-QZTJIDSGSA-N 2 2 361.486 0.960 20 0 FCADLP CC[N@H+](CCCC1CC[NH+](Cc2nc(=O)[nH][nH]2)CC1)Cc1nc(=O)[nH][nH]1 ZINC000271699151 488539582 /nfs/dbraw/zinc/53/95/82/488539582.db2.gz NDVRNPCOTOGIDV-UHFFFAOYSA-N 2 2 364.454 0.024 20 0 FCADLP CC[N@@H+](CCCC1CC[NH+](Cc2nc(=O)[nH][nH]2)CC1)Cc1nc(=O)[nH][nH]1 ZINC000271699151 488539585 /nfs/dbraw/zinc/53/95/85/488539585.db2.gz NDVRNPCOTOGIDV-UHFFFAOYSA-N 2 2 364.454 0.024 20 0 FCADLP Cc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)s1 ZINC000262003342 488545384 /nfs/dbraw/zinc/54/53/84/488545384.db2.gz DSDYUFGKQFTNIA-UHFFFAOYSA-N 2 2 350.488 0.636 20 0 FCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000262092816 488549817 /nfs/dbraw/zinc/54/98/17/488549817.db2.gz DFECNTBYJGLRBP-QAPCUYQASA-N 2 2 363.458 0.391 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000271848963 488549939 /nfs/dbraw/zinc/54/99/39/488549939.db2.gz VQAARSMFNDVTML-MRXNPFEDSA-N 2 2 363.462 0.533 20 0 FCADLP O=C(NCC(=O)N1CC[NH2+]CC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000569948352 491205485 /nfs/dbraw/zinc/20/54/85/491205485.db2.gz YQZKBPOYRZPJII-UHFFFAOYSA-N 2 2 360.393 0.242 20 0 FCADLP Cc1cc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000262216582 488557615 /nfs/dbraw/zinc/55/76/15/488557615.db2.gz UEBDRRJDVJZPFY-UHFFFAOYSA-N 3 2 360.506 0.852 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000272000824 488557899 /nfs/dbraw/zinc/55/78/99/488557899.db2.gz VOWHTXCHIKKCDE-ZDUSSCGKSA-N 2 2 351.403 0.089 20 0 FCADLP Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262307290 488563046 /nfs/dbraw/zinc/56/30/46/488563046.db2.gz YLXLRJQXDLKZDG-KBPBESRZSA-N 2 2 365.503 0.970 20 0 FCADLP Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262307290 488563048 /nfs/dbraw/zinc/56/30/48/488563048.db2.gz YLXLRJQXDLKZDG-KBPBESRZSA-N 2 2 365.503 0.970 20 0 FCADLP O=C(C[C@H]1COCC[NH2+]1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000262317641 488563996 /nfs/dbraw/zinc/56/39/96/488563996.db2.gz DRUHIPZLDWAKHD-KRWDZBQOSA-N 2 2 363.458 0.392 20 0 FCADLP COCC1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[NH2+]CC1 ZINC000262418262 488569390 /nfs/dbraw/zinc/56/93/90/488569390.db2.gz UPHJKLQRMOXPFN-SFHVURJKSA-N 2 2 361.486 0.880 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC[NH2+]1 ZINC000262448327 488570459 /nfs/dbraw/zinc/57/04/59/488570459.db2.gz ZAKJVLNEWKKFCL-OKZBNKHCSA-N 2 2 361.486 0.959 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000121994871 488573695 /nfs/dbraw/zinc/57/36/95/488573695.db2.gz BCKJHCHRQYRAIQ-UHFFFAOYSA-N 2 2 373.501 0.554 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000121994871 488573697 /nfs/dbraw/zinc/57/36/97/488573697.db2.gz BCKJHCHRQYRAIQ-UHFFFAOYSA-N 2 2 373.501 0.554 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000562993526 491206831 /nfs/dbraw/zinc/20/68/31/491206831.db2.gz IJVYTZVIRLQVHX-UHFFFAOYSA-N 2 2 367.515 0.993 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC000122166918 488576057 /nfs/dbraw/zinc/57/60/57/488576057.db2.gz MTNXJYZDRVQMMW-IRXDYDNUSA-N 2 2 369.554 0.811 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC[NH+]1CCOCC1 ZINC000262648992 488584502 /nfs/dbraw/zinc/58/45/02/488584502.db2.gz QDOBDCPYKXTYIH-SFHVURJKSA-N 2 2 357.458 0.250 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000123944517 488589076 /nfs/dbraw/zinc/58/90/76/488589076.db2.gz PZHSRMKTPMDHSJ-QGZVFWFLSA-N 2 2 374.485 0.915 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124306164 488591185 /nfs/dbraw/zinc/59/11/85/488591185.db2.gz PHNZCOCWUHONMI-INIZCTEOSA-N 2 2 357.462 0.732 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124306164 488591187 /nfs/dbraw/zinc/59/11/87/488591187.db2.gz PHNZCOCWUHONMI-INIZCTEOSA-N 2 2 357.462 0.732 20 0 FCADLP CC(C)N1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000272608431 488591917 /nfs/dbraw/zinc/59/19/17/488591917.db2.gz RYXAPPDIDJKOMA-UHFFFAOYSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)N1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000272608431 488591920 /nfs/dbraw/zinc/59/19/20/488591920.db2.gz RYXAPPDIDJKOMA-UHFFFAOYSA-N 2 2 359.474 0.673 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000124948094 488597130 /nfs/dbraw/zinc/59/71/30/488597130.db2.gz COMFZZBMZMIKNA-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000124948094 488597132 /nfs/dbraw/zinc/59/71/32/488597132.db2.gz COMFZZBMZMIKNA-SFHVURJKSA-N 2 2 374.485 0.214 20 0 FCADLP Cc1ncc(C[NH+]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)s1 ZINC000263247034 488607423 /nfs/dbraw/zinc/60/74/23/488607423.db2.gz NGKAOYLOZVBBKX-HNNXBMFYSA-N 2 2 353.492 0.195 20 0 FCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000127163655 488614618 /nfs/dbraw/zinc/61/46/18/488614618.db2.gz XXXSJKYCHWACLH-CVEARBPZSA-N 2 2 368.503 0.548 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000263697250 488619577 /nfs/dbraw/zinc/61/95/77/488619577.db2.gz NUYLEWCQBUQGLC-UHFFFAOYSA-N 2 2 355.442 0.825 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000128129279 488622617 /nfs/dbraw/zinc/62/26/17/488622617.db2.gz IZPMUPPNDAWNEG-UHFFFAOYSA-N 2 2 364.498 0.096 20 0 FCADLP C[C@@H](CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000129657531 488632846 /nfs/dbraw/zinc/63/28/46/488632846.db2.gz VODYBEPFMPIEQT-SFHVURJKSA-N 2 2 373.545 0.800 20 0 FCADLP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000129657531 488632847 /nfs/dbraw/zinc/63/28/47/488632847.db2.gz VODYBEPFMPIEQT-SFHVURJKSA-N 2 2 373.545 0.800 20 0 FCADLP C[C@H](CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000129657729 488633145 /nfs/dbraw/zinc/63/31/45/488633145.db2.gz VODYBEPFMPIEQT-GOSISDBHSA-N 2 2 373.545 0.800 20 0 FCADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000129657729 488633150 /nfs/dbraw/zinc/63/31/50/488633150.db2.gz VODYBEPFMPIEQT-GOSISDBHSA-N 2 2 373.545 0.800 20 0 FCADLP Cc1cccn2c(=O)cc(C[NH+]3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)nc12 ZINC000131161279 488643381 /nfs/dbraw/zinc/64/33/81/488643381.db2.gz CNAINOXJGLFEBZ-QGZVFWFLSA-N 2 2 369.469 0.917 20 0 FCADLP Cc1cccn2c(=O)cc(C[NH+]3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)nc12 ZINC000131161279 488643384 /nfs/dbraw/zinc/64/33/84/488643384.db2.gz CNAINOXJGLFEBZ-QGZVFWFLSA-N 2 2 369.469 0.917 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000131355375 488645135 /nfs/dbraw/zinc/64/51/35/488645135.db2.gz FIVPMRGKUGQFKG-RBUKOAKNSA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000131355375 488645137 /nfs/dbraw/zinc/64/51/37/488645137.db2.gz FIVPMRGKUGQFKG-RBUKOAKNSA-N 2 2 361.486 0.803 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264114681 488648555 /nfs/dbraw/zinc/64/85/55/488648555.db2.gz GTZGFCKAIRRDIJ-UHFFFAOYSA-N 3 2 357.462 0.827 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000133032030 488657351 /nfs/dbraw/zinc/65/73/51/488657351.db2.gz PAUNXYDGSPVSPA-MRXNPFEDSA-N 2 2 370.563 0.826 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000133032030 488657354 /nfs/dbraw/zinc/65/73/54/488657354.db2.gz PAUNXYDGSPVSPA-MRXNPFEDSA-N 2 2 370.563 0.826 20 0 FCADLP C[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+]1CCSCC1 ZINC000133143484 488657726 /nfs/dbraw/zinc/65/77/26/488657726.db2.gz BGKFJFSNDRNQDP-HNNXBMFYSA-N 2 2 363.531 0.887 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133984710 488663185 /nfs/dbraw/zinc/66/31/85/488663185.db2.gz HBPZSWOOYTZOBY-HKUYNNGSSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C[NH+]1CCOCC1 ZINC000133984710 488663188 /nfs/dbraw/zinc/66/31/88/488663188.db2.gz HBPZSWOOYTZOBY-HKUYNNGSSA-N 2 2 361.486 0.972 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134878144 488669639 /nfs/dbraw/zinc/66/96/39/488669639.db2.gz BMQMQCGGNYEUEH-SQWLQELKSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134878144 488669641 /nfs/dbraw/zinc/66/96/41/488669641.db2.gz BMQMQCGGNYEUEH-SQWLQELKSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134878144 488669643 /nfs/dbraw/zinc/66/96/43/488669643.db2.gz BMQMQCGGNYEUEH-SQWLQELKSA-N 2 2 352.479 0.796 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134878144 488669644 /nfs/dbraw/zinc/66/96/44/488669644.db2.gz BMQMQCGGNYEUEH-SQWLQELKSA-N 2 2 352.479 0.796 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000137793446 488681138 /nfs/dbraw/zinc/68/11/38/488681138.db2.gz GHCXCLPCJXLSFN-IRXDYDNUSA-N 2 2 374.489 0.787 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000137793446 488681139 /nfs/dbraw/zinc/68/11/39/488681139.db2.gz GHCXCLPCJXLSFN-IRXDYDNUSA-N 2 2 374.489 0.787 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)CC2)nc(C)[nH+]1 ZINC000137793353 488681495 /nfs/dbraw/zinc/68/14/95/488681495.db2.gz GHCXCLPCJXLSFN-SJORKVTESA-N 2 2 374.489 0.787 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)CC2)nc(C)[nH+]1 ZINC000137793353 488681497 /nfs/dbraw/zinc/68/14/97/488681497.db2.gz GHCXCLPCJXLSFN-SJORKVTESA-N 2 2 374.489 0.787 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000264574612 488686457 /nfs/dbraw/zinc/68/64/57/488686457.db2.gz IISFLYOSRFSJPZ-INIZCTEOSA-N 2 2 363.462 0.438 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000264574612 488686459 /nfs/dbraw/zinc/68/64/59/488686459.db2.gz IISFLYOSRFSJPZ-INIZCTEOSA-N 2 2 363.462 0.438 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](CCO)CCCO)CC2)cc1 ZINC000264616462 488691028 /nfs/dbraw/zinc/69/10/28/488691028.db2.gz MCLMKNVJILBLSY-UHFFFAOYSA-N 2 2 365.474 0.016 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](CCO)CCCO)CC2)cc1 ZINC000264616462 488691030 /nfs/dbraw/zinc/69/10/30/488691030.db2.gz MCLMKNVJILBLSY-UHFFFAOYSA-N 2 2 365.474 0.016 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000150811526 488700091 /nfs/dbraw/zinc/70/00/91/488700091.db2.gz YCTBQQLTZBZRJG-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000150811526 488700093 /nfs/dbraw/zinc/70/00/93/488700093.db2.gz YCTBQQLTZBZRJG-INIZCTEOSA-N 2 2 352.479 0.705 20 0 FCADLP COc1ncnc(OC)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000264722750 488703142 /nfs/dbraw/zinc/70/31/42/488703142.db2.gz YBIBQZIDLBZQDL-UHFFFAOYSA-N 2 2 363.462 0.782 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000264737178 488705279 /nfs/dbraw/zinc/70/52/79/488705279.db2.gz OCQWCTOILGLRMO-SFHVURJKSA-N 2 2 356.474 0.976 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000264737178 488705280 /nfs/dbraw/zinc/70/52/80/488705280.db2.gz OCQWCTOILGLRMO-SFHVURJKSA-N 2 2 356.474 0.976 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264776397 488710654 /nfs/dbraw/zinc/71/06/54/488710654.db2.gz UGTGIVMMPALUNQ-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000264776397 488710655 /nfs/dbraw/zinc/71/06/55/488710655.db2.gz UGTGIVMMPALUNQ-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776397 488710656 /nfs/dbraw/zinc/71/06/56/488710656.db2.gz UGTGIVMMPALUNQ-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000264776397 488710657 /nfs/dbraw/zinc/71/06/57/488710657.db2.gz UGTGIVMMPALUNQ-IRXDYDNUSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796232 488713020 /nfs/dbraw/zinc/71/30/20/488713020.db2.gz VLMRUXZKICXYDH-RBUKOAKNSA-N 2 2 359.518 0.337 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796232 488713023 /nfs/dbraw/zinc/71/30/23/488713023.db2.gz VLMRUXZKICXYDH-RBUKOAKNSA-N 2 2 359.518 0.337 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000152291232 488715638 /nfs/dbraw/zinc/71/56/38/488715638.db2.gz QPPIDLNQNBFHCD-GOEBONIOSA-N 2 2 362.478 0.686 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc[nH+]1 ZINC000152872324 488723942 /nfs/dbraw/zinc/72/39/42/488723942.db2.gz PWDCBDCRYNOKSI-AWEZNQCLSA-N 2 2 355.446 0.650 20 0 FCADLP CC[N@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000152866358 488724235 /nfs/dbraw/zinc/72/42/35/488724235.db2.gz KRZUVUBDKVBGDX-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000152866358 488724237 /nfs/dbraw/zinc/72/42/37/488724237.db2.gz KRZUVUBDKVBGDX-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP CC[N@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000152866358 488724239 /nfs/dbraw/zinc/72/42/39/488724239.db2.gz KRZUVUBDKVBGDX-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000152866358 488724240 /nfs/dbraw/zinc/72/42/40/488724240.db2.gz KRZUVUBDKVBGDX-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP C[C@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798243 488735471 /nfs/dbraw/zinc/73/54/71/488735471.db2.gz RFYCWLMTBANJCU-QAPCUYQASA-N 2 2 363.527 0.959 20 0 FCADLP C[C@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000153798243 488735473 /nfs/dbraw/zinc/73/54/73/488735473.db2.gz RFYCWLMTBANJCU-QAPCUYQASA-N 2 2 363.527 0.959 20 0 FCADLP CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000153996683 488736935 /nfs/dbraw/zinc/73/69/35/488736935.db2.gz GRTUWUBJLPVDEB-MRXNPFEDSA-N 2 2 362.478 0.939 20 0 FCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000153996683 488736937 /nfs/dbraw/zinc/73/69/37/488736937.db2.gz GRTUWUBJLPVDEB-MRXNPFEDSA-N 2 2 362.478 0.939 20 0 FCADLP C[N@H+](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCSC1 ZINC000154604387 488745363 /nfs/dbraw/zinc/74/53/63/488745363.db2.gz BFPVDPXHVNQXGA-OAHLLOKOSA-N 2 2 364.519 0.152 20 0 FCADLP C[N@@H+](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCSC1 ZINC000154604387 488745366 /nfs/dbraw/zinc/74/53/66/488745366.db2.gz BFPVDPXHVNQXGA-OAHLLOKOSA-N 2 2 364.519 0.152 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000154733759 488747026 /nfs/dbraw/zinc/74/70/26/488747026.db2.gz MADSHBRRXUSAGJ-UHFFFAOYSA-N 2 2 359.474 0.877 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)C1 ZINC000155105601 488751258 /nfs/dbraw/zinc/75/12/58/488751258.db2.gz VYTWUPHIFPUJHD-ZWKOTPCHSA-N 2 2 357.539 0.889 20 0 FCADLP CN(C)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000267230189 488771005 /nfs/dbraw/zinc/77/10/05/488771005.db2.gz KSSIOXWRTYNJLW-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275208690 488772759 /nfs/dbraw/zinc/77/27/59/488772759.db2.gz RTUWJKNPNRYADV-IPELMVKDSA-N 2 2 371.485 0.822 20 0 FCADLP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275208690 488772761 /nfs/dbraw/zinc/77/27/61/488772761.db2.gz RTUWJKNPNRYADV-IPELMVKDSA-N 2 2 371.485 0.822 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCN(c4cnccn4)CC3)cn2)CC1 ZINC000157923847 488774706 /nfs/dbraw/zinc/77/47/06/488774706.db2.gz KOTUELCHYZVVRV-UHFFFAOYSA-N 2 2 354.462 0.341 20 0 FCADLP CSC[C@@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000158199186 488776557 /nfs/dbraw/zinc/77/65/57/488776557.db2.gz YYRYCEKJIDSVDX-KRWDZBQOSA-N 2 2 358.552 0.958 20 0 FCADLP C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000162057460 488800183 /nfs/dbraw/zinc/80/01/83/488800183.db2.gz WKPATRPJQKJPQK-UHFFFAOYSA-N 2 2 374.485 0.664 20 0 FCADLP C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000162057460 488800184 /nfs/dbraw/zinc/80/01/84/488800184.db2.gz WKPATRPJQKJPQK-UHFFFAOYSA-N 2 2 374.485 0.664 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000162326210 488801920 /nfs/dbraw/zinc/80/19/20/488801920.db2.gz UFICXRZSKDVMSG-ZDUSSCGKSA-N 2 2 369.263 0.280 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000162326210 488801922 /nfs/dbraw/zinc/80/19/22/488801922.db2.gz UFICXRZSKDVMSG-ZDUSSCGKSA-N 2 2 369.263 0.280 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000162371343 488802060 /nfs/dbraw/zinc/80/20/60/488802060.db2.gz GUORRLOWKXRGKR-AWEZNQCLSA-N 2 2 353.854 0.241 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000162371343 488802062 /nfs/dbraw/zinc/80/20/62/488802062.db2.gz GUORRLOWKXRGKR-AWEZNQCLSA-N 2 2 353.854 0.241 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)[C@H](C[NH3+])C1 ZINC000162408093 488802594 /nfs/dbraw/zinc/80/25/94/488802594.db2.gz CEVFOBXLRWMKCQ-OAHLLOKOSA-N 2 2 360.458 0.832 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)[C@H](C[NH3+])C1 ZINC000162408093 488802596 /nfs/dbraw/zinc/80/25/96/488802596.db2.gz CEVFOBXLRWMKCQ-OAHLLOKOSA-N 2 2 360.458 0.832 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c(OCC[NH+](C)C)c1 ZINC000164220867 488810188 /nfs/dbraw/zinc/81/01/88/488810188.db2.gz HWMFHFOJXILOKG-UHFFFAOYSA-N 2 2 359.430 0.887 20 0 FCADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000168551121 488812806 /nfs/dbraw/zinc/81/28/06/488812806.db2.gz NGMGDACZEQRECC-KRWDZBQOSA-N 2 2 362.474 0.697 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171004794 488818804 /nfs/dbraw/zinc/81/88/04/488818804.db2.gz LXUQXHUBTUESRA-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171004794 488818805 /nfs/dbraw/zinc/81/88/05/488818805.db2.gz LXUQXHUBTUESRA-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000171004794 488818806 /nfs/dbraw/zinc/81/88/06/488818806.db2.gz LXUQXHUBTUESRA-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000171004794 488818807 /nfs/dbraw/zinc/81/88/07/488818807.db2.gz LXUQXHUBTUESRA-INIZCTEOSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000171098795 488819668 /nfs/dbraw/zinc/81/96/68/488819668.db2.gz ZVBFKFDFVOMKOB-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000171098795 488819669 /nfs/dbraw/zinc/81/96/69/488819669.db2.gz ZVBFKFDFVOMKOB-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000171190279 488820939 /nfs/dbraw/zinc/82/09/39/488820939.db2.gz MQDXUCOXNSLTEX-OAHLLOKOSA-N 2 2 370.519 0.999 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000171190279 488820941 /nfs/dbraw/zinc/82/09/41/488820941.db2.gz MQDXUCOXNSLTEX-OAHLLOKOSA-N 2 2 370.519 0.999 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000171378981 488822610 /nfs/dbraw/zinc/82/26/10/488822610.db2.gz AVHPRQIJWRGZNP-UHFFFAOYSA-N 2 2 373.501 0.726 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000171378981 488822612 /nfs/dbraw/zinc/82/26/12/488822612.db2.gz AVHPRQIJWRGZNP-UHFFFAOYSA-N 2 2 373.501 0.726 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)on1 ZINC000171657265 488825437 /nfs/dbraw/zinc/82/54/37/488825437.db2.gz NXTCDVIAUMQEOB-ZDUSSCGKSA-N 2 2 351.451 0.700 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157616 491223423 /nfs/dbraw/zinc/22/34/23/491223423.db2.gz JEJDKKOFVLQVNH-INIZCTEOSA-N 3 2 361.490 0.752 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000172815232 488838607 /nfs/dbraw/zinc/83/86/07/488838607.db2.gz BODTVSDOSJZVQX-SJLPKXTDSA-N 2 2 373.501 0.697 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000173163791 488841175 /nfs/dbraw/zinc/84/11/75/488841175.db2.gz LFSJZMQICMAILG-KRWDZBQOSA-N 2 2 361.490 0.119 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000173367723 488842385 /nfs/dbraw/zinc/84/23/85/488842385.db2.gz NBZOJASDHVUMDZ-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173592802 488843798 /nfs/dbraw/zinc/84/37/98/488843798.db2.gz JKKJHCURPJMYPV-FUHWJXTLSA-N 2 2 354.539 0.876 20 0 FCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645450 488843994 /nfs/dbraw/zinc/84/39/94/488843994.db2.gz ISNIWUAPZXFJIM-KRWDZBQOSA-N 2 2 360.506 0.931 20 0 FCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645450 488843995 /nfs/dbraw/zinc/84/39/95/488843995.db2.gz ISNIWUAPZXFJIM-KRWDZBQOSA-N 2 2 360.506 0.931 20 0 FCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645450 488843996 /nfs/dbraw/zinc/84/39/96/488843996.db2.gz ISNIWUAPZXFJIM-KRWDZBQOSA-N 2 2 360.506 0.931 20 0 FCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000173645450 488843997 /nfs/dbraw/zinc/84/39/97/488843997.db2.gz ISNIWUAPZXFJIM-KRWDZBQOSA-N 2 2 360.506 0.931 20 0 FCADLP COCC[NH+]1CCC([NH2+]Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000173641714 488844041 /nfs/dbraw/zinc/84/40/41/488844041.db2.gz BHIOMYFJXXDDSE-UHFFFAOYSA-N 2 2 370.457 0.782 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000174260771 488848028 /nfs/dbraw/zinc/84/80/28/488848028.db2.gz VILQZEXGZICRLG-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000174260771 488848029 /nfs/dbraw/zinc/84/80/29/488848029.db2.gz VILQZEXGZICRLG-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000174546934 488849663 /nfs/dbraw/zinc/84/96/63/488849663.db2.gz FCEBBIBITDJTLX-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000174546934 488849664 /nfs/dbraw/zinc/84/96/64/488849664.db2.gz FCEBBIBITDJTLX-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000174546934 488849665 /nfs/dbraw/zinc/84/96/65/488849665.db2.gz FCEBBIBITDJTLX-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000174546934 488849666 /nfs/dbraw/zinc/84/96/66/488849666.db2.gz FCEBBIBITDJTLX-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000570207075 491224514 /nfs/dbraw/zinc/22/45/14/491224514.db2.gz FOEGTELWVVJXQQ-JKSUJKDBSA-N 2 2 374.485 0.711 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000174760366 488851126 /nfs/dbraw/zinc/85/11/26/488851126.db2.gz GUHURVVDAUBDNC-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000175617919 488854614 /nfs/dbraw/zinc/85/46/14/488854614.db2.gz RVJWSBBUHXVRHD-LSDHHAIUSA-N 2 2 354.451 0.217 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000175617900 488854654 /nfs/dbraw/zinc/85/46/54/488854654.db2.gz RVJWSBBUHXVRHD-GJZGRUSLSA-N 2 2 354.451 0.217 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000175817381 488855976 /nfs/dbraw/zinc/85/59/76/488855976.db2.gz DTTUGIHMGBXKJO-SQNIBIBYSA-N 2 2 367.538 0.232 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000175817381 488855977 /nfs/dbraw/zinc/85/59/77/488855977.db2.gz DTTUGIHMGBXKJO-SQNIBIBYSA-N 2 2 367.538 0.232 20 0 FCADLP CN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000176290787 488858219 /nfs/dbraw/zinc/85/82/19/488858219.db2.gz DHIBJHUXPQZDJL-UHFFFAOYSA-N 2 2 362.478 0.323 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000178531000 488860469 /nfs/dbraw/zinc/86/04/69/488860469.db2.gz IKHDRXGDIQMFJY-UHFFFAOYSA-N 3 2 351.495 0.740 20 0 FCADLP CN(C)C(=O)CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000182187442 488864087 /nfs/dbraw/zinc/86/40/87/488864087.db2.gz WMIUTJGXSWVFIB-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000182234241 488864294 /nfs/dbraw/zinc/86/42/94/488864294.db2.gz BURXLQAOPSDDBX-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000182234241 488864295 /nfs/dbraw/zinc/86/42/95/488864295.db2.gz BURXLQAOPSDDBX-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000182234241 488864296 /nfs/dbraw/zinc/86/42/96/488864296.db2.gz BURXLQAOPSDDBX-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000182234241 488864297 /nfs/dbraw/zinc/86/42/97/488864297.db2.gz BURXLQAOPSDDBX-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364721612 488991796 /nfs/dbraw/zinc/99/17/96/488991796.db2.gz AYSXUNWGYZWMSY-UHFFFAOYSA-N 2 2 366.466 0.059 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364721612 488991801 /nfs/dbraw/zinc/99/18/01/488991801.db2.gz AYSXUNWGYZWMSY-UHFFFAOYSA-N 2 2 366.466 0.059 20 0 FCADLP O=C1[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCN1CC(F)(F)F ZINC000364734895 488994069 /nfs/dbraw/zinc/99/40/69/488994069.db2.gz ABEVRODCGJCDRK-ZDUSSCGKSA-N 2 2 365.396 0.309 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1C[C@H](C)O ZINC000329480392 489008343 /nfs/dbraw/zinc/00/83/43/489008343.db2.gz CYCIFJAJAMCVNC-JZXOWHBKSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1C[C@H](C)O ZINC000329480392 489008347 /nfs/dbraw/zinc/00/83/47/489008347.db2.gz CYCIFJAJAMCVNC-JZXOWHBKSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1C[C@H](C)O ZINC000329480392 489008348 /nfs/dbraw/zinc/00/83/48/489008348.db2.gz CYCIFJAJAMCVNC-JZXOWHBKSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1C[C@H](C)O ZINC000329480393 489008592 /nfs/dbraw/zinc/00/85/92/489008592.db2.gz CYCIFJAJAMCVNC-LZLYRXPVSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1C[C@H](C)O ZINC000329480393 489008595 /nfs/dbraw/zinc/00/85/95/489008595.db2.gz CYCIFJAJAMCVNC-LZLYRXPVSA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1C[C@H](C)O ZINC000329480393 489008598 /nfs/dbraw/zinc/00/85/98/489008598.db2.gz CYCIFJAJAMCVNC-LZLYRXPVSA-N 2 2 353.507 0.933 20 0 FCADLP CCN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000364877852 489013447 /nfs/dbraw/zinc/01/34/47/489013447.db2.gz AGJHMRQUQIUNFW-UHFFFAOYSA-N 2 2 351.495 0.419 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000280510082 489014739 /nfs/dbraw/zinc/01/47/39/489014739.db2.gz SCJHVUXSIWSZKP-UHFFFAOYSA-N 2 2 373.457 0.543 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280510082 489014742 /nfs/dbraw/zinc/01/47/42/489014742.db2.gz SCJHVUXSIWSZKP-UHFFFAOYSA-N 2 2 373.457 0.543 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCCCO3)CC2)CC1 ZINC000329571680 489017036 /nfs/dbraw/zinc/01/70/36/489017036.db2.gz IZVXRIZGMJNKGE-INIZCTEOSA-N 2 2 360.524 0.055 20 0 FCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)C(=O)N1CC[NH+](CC)CC1)CC2 ZINC000329595082 489019231 /nfs/dbraw/zinc/01/92/31/489019231.db2.gz VEYOAVCSQPTGMV-IXDOHACOSA-N 2 2 353.507 0.791 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000280695642 489025362 /nfs/dbraw/zinc/02/53/62/489025362.db2.gz GPUFFOSAALFACZ-FQEVSTJZSA-N 2 2 358.486 0.789 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000280695642 489025364 /nfs/dbraw/zinc/02/53/64/489025364.db2.gz GPUFFOSAALFACZ-FQEVSTJZSA-N 2 2 358.486 0.789 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000288916525 489028087 /nfs/dbraw/zinc/02/80/87/489028087.db2.gz WGCCRKUURFKWDY-UHFFFAOYSA-N 2 2 357.458 0.762 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H](C)[N@H+]1C ZINC000329715509 489029965 /nfs/dbraw/zinc/02/99/65/489029965.db2.gz VBRHPGQZCKFCMT-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H](C)[N@@H+]1C ZINC000329715509 489029969 /nfs/dbraw/zinc/02/99/69/489029969.db2.gz VBRHPGQZCKFCMT-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1(C)C ZINC000289033200 489037306 /nfs/dbraw/zinc/03/73/06/489037306.db2.gz JTJXTJXIDYPUGK-UHFFFAOYSA-N 2 2 372.473 0.093 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1(C)C ZINC000289033200 489037307 /nfs/dbraw/zinc/03/73/07/489037307.db2.gz JTJXTJXIDYPUGK-UHFFFAOYSA-N 2 2 372.473 0.093 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100971 489038531 /nfs/dbraw/zinc/03/85/31/489038531.db2.gz RJHRFDLTFZDALO-WMZOPIPTSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100971 489038532 /nfs/dbraw/zinc/03/85/32/489038532.db2.gz RJHRFDLTFZDALO-WMZOPIPTSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100971 489038533 /nfs/dbraw/zinc/03/85/33/489038533.db2.gz RJHRFDLTFZDALO-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100971 489038534 /nfs/dbraw/zinc/03/85/34/489038534.db2.gz RJHRFDLTFZDALO-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000289075116 489039999 /nfs/dbraw/zinc/03/99/99/489039999.db2.gz OBWXLJVAHHQMNW-FSDCSDTHSA-N 2 2 359.474 0.892 20 0 FCADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cnn1 ZINC000329857993 489042870 /nfs/dbraw/zinc/04/28/70/489042870.db2.gz ZSVOMAOEQCZYCU-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3C[C@H](OC)C[NH2+]3)CC2)cc(OC)c1 ZINC000365155271 489044093 /nfs/dbraw/zinc/04/40/93/489044093.db2.gz IYKQOJGSURTKNV-ZWKOTPCHSA-N 2 2 363.458 0.725 20 0 FCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329984788 489058281 /nfs/dbraw/zinc/05/82/81/489058281.db2.gz CPTHJYZOEUUVHL-CVEARBPZSA-N 2 2 368.503 0.548 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281351533 489069163 /nfs/dbraw/zinc/06/91/63/489069163.db2.gz ZRDALBFXNYFYGS-IBGZPJMESA-N 2 2 359.474 0.578 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281351533 489069166 /nfs/dbraw/zinc/06/91/66/489069166.db2.gz ZRDALBFXNYFYGS-IBGZPJMESA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)S1=O ZINC000330104879 489069894 /nfs/dbraw/zinc/06/98/94/489069894.db2.gz HXEGXMLHVNPIDT-HOTGVXAUSA-N 2 2 364.515 0.962 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000330122771 489071046 /nfs/dbraw/zinc/07/10/46/489071046.db2.gz KKZKRUFSDZRFHL-OAHLLOKOSA-N 2 2 350.467 0.631 20 0 FCADLP CN(C)[C@@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH+]cn1C ZINC000281376275 489071401 /nfs/dbraw/zinc/07/14/01/489071401.db2.gz WWHOBUXZFLUNEG-IEBWSBKVSA-N 2 2 371.485 0.558 20 0 FCADLP CN(C)[C@@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH+]cn1C ZINC000281376275 489071404 /nfs/dbraw/zinc/07/14/04/489071404.db2.gz WWHOBUXZFLUNEG-IEBWSBKVSA-N 2 2 371.485 0.558 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)CC1 ZINC000365468844 489078929 /nfs/dbraw/zinc/07/89/29/489078929.db2.gz FUDZVDHXCPGJEG-INIZCTEOSA-N 2 2 365.522 0.319 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)CC1 ZINC000365468844 489078931 /nfs/dbraw/zinc/07/89/31/489078931.db2.gz FUDZVDHXCPGJEG-INIZCTEOSA-N 2 2 365.522 0.319 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3([NH+]4CCOCC4)CC3)C2)CC1 ZINC000365468844 489078933 /nfs/dbraw/zinc/07/89/33/489078933.db2.gz FUDZVDHXCPGJEG-INIZCTEOSA-N 3 2 365.522 0.319 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3([NH+]4CCOCC4)CC3)C2)CC1 ZINC000365468844 489078935 /nfs/dbraw/zinc/07/89/35/489078935.db2.gz FUDZVDHXCPGJEG-INIZCTEOSA-N 3 2 365.522 0.319 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000289689065 489086553 /nfs/dbraw/zinc/08/65/53/489086553.db2.gz DXDAANWXXVBBOM-SJORKVTESA-N 2 2 363.458 0.765 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330311769 489090375 /nfs/dbraw/zinc/09/03/75/489090375.db2.gz VZOMTNMLGNGIFG-QWHCGFSZSA-N 2 2 360.462 0.750 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330311769 489090378 /nfs/dbraw/zinc/09/03/78/489090378.db2.gz VZOMTNMLGNGIFG-QWHCGFSZSA-N 2 2 360.462 0.750 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329757 489091345 /nfs/dbraw/zinc/09/13/45/489091345.db2.gz MWBNITLWYAJTDS-OAHLLOKOSA-N 2 2 360.524 0.185 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N1CCS(=O)(=O)CC1 ZINC000330329757 489091347 /nfs/dbraw/zinc/09/13/47/489091347.db2.gz MWBNITLWYAJTDS-OAHLLOKOSA-N 2 2 360.524 0.185 20 0 FCADLP C[C@@H]1OCC[C@@]12C[N@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666782 489097888 /nfs/dbraw/zinc/09/78/88/489097888.db2.gz AEIQPMHLTKZRLR-JTDSTZFVSA-N 2 2 361.490 0.997 20 0 FCADLP C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C[C@@H](C)O2 ZINC000365666782 489097893 /nfs/dbraw/zinc/09/78/93/489097893.db2.gz AEIQPMHLTKZRLR-JTDSTZFVSA-N 2 2 361.490 0.997 20 0 FCADLP CN1CCC2(CC[NH+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)CC2)C1=O ZINC000365708010 489102811 /nfs/dbraw/zinc/10/28/11/489102811.db2.gz UTENYAAWFWDACG-UHFFFAOYSA-N 2 2 374.485 0.868 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H](C[NH3+])OC)CC2)cc(OC)c1OC ZINC000290069357 489111959 /nfs/dbraw/zinc/11/19/59/489111959.db2.gz IFJHMJCNPVQZBC-MRXNPFEDSA-N 2 2 367.446 0.330 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000554943985 491233889 /nfs/dbraw/zinc/23/38/89/491233889.db2.gz GBRQWUDQQAKWLA-INIZCTEOSA-N 2 2 365.478 0.322 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000554943985 491233892 /nfs/dbraw/zinc/23/38/92/491233892.db2.gz GBRQWUDQQAKWLA-INIZCTEOSA-N 2 2 365.478 0.322 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940401 491233978 /nfs/dbraw/zinc/23/39/78/491233978.db2.gz JTVABSQFLJMGGJ-GDBMZVCRSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940401 491233980 /nfs/dbraw/zinc/23/39/80/491233980.db2.gz JTVABSQFLJMGGJ-GDBMZVCRSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000554940401 491233984 /nfs/dbraw/zinc/23/39/84/491233984.db2.gz JTVABSQFLJMGGJ-GDBMZVCRSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000554940401 491233986 /nfs/dbraw/zinc/23/39/86/491233986.db2.gz JTVABSQFLJMGGJ-GDBMZVCRSA-N 2 2 367.494 0.740 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270947 489126548 /nfs/dbraw/zinc/12/65/48/489126548.db2.gz AEYIOSRCTOXCHD-IIAWOOMASA-N 2 2 357.458 0.375 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290270947 489126550 /nfs/dbraw/zinc/12/65/50/489126550.db2.gz AEYIOSRCTOXCHD-IIAWOOMASA-N 2 2 357.458 0.375 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000570332976 491234543 /nfs/dbraw/zinc/23/45/43/491234543.db2.gz GBUBFHAAOWVBPR-INIZCTEOSA-N 2 2 374.441 0.308 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000570332976 491234544 /nfs/dbraw/zinc/23/45/44/491234544.db2.gz GBUBFHAAOWVBPR-INIZCTEOSA-N 2 2 374.441 0.308 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1(C)C ZINC000282207814 489145180 /nfs/dbraw/zinc/14/51/80/489145180.db2.gz MDPPUHUDFRNZTC-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1(C)C ZINC000282207814 489145184 /nfs/dbraw/zinc/14/51/84/489145184.db2.gz MDPPUHUDFRNZTC-UHFFFAOYSA-N 2 2 374.533 0.935 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183426 489155781 /nfs/dbraw/zinc/15/57/81/489155781.db2.gz HTSRDBJUYWWGIH-DLBZAZTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183426 489155784 /nfs/dbraw/zinc/15/57/84/489155784.db2.gz HTSRDBJUYWWGIH-DLBZAZTESA-N 2 2 354.495 0.506 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000290665243 489156784 /nfs/dbraw/zinc/15/67/84/489156784.db2.gz UUPDSHYLPSGLCU-INIZCTEOSA-N 2 2 371.485 0.863 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200471 489157238 /nfs/dbraw/zinc/15/72/38/489157238.db2.gz YOCDMYPLHRTIPD-QZTJIDSGSA-N 2 2 367.538 0.421 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCN(C)CC1 ZINC000366200471 489157240 /nfs/dbraw/zinc/15/72/40/489157240.db2.gz YOCDMYPLHRTIPD-QZTJIDSGSA-N 2 2 367.538 0.421 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366267558 489164627 /nfs/dbraw/zinc/16/46/27/489164627.db2.gz PVMHVHPDLADAOC-SJORKVTESA-N 2 2 354.495 0.651 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366449884 489183090 /nfs/dbraw/zinc/18/30/90/489183090.db2.gz HOCBIKXFDZRFDC-DLBZAZTESA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579444 489196712 /nfs/dbraw/zinc/19/67/12/489196712.db2.gz AICXDKWFFOKGMG-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366579444 489196714 /nfs/dbraw/zinc/19/67/14/489196714.db2.gz AICXDKWFFOKGMG-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579444 489196717 /nfs/dbraw/zinc/19/67/17/489196717.db2.gz AICXDKWFFOKGMG-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366579444 489196720 /nfs/dbraw/zinc/19/67/20/489196720.db2.gz AICXDKWFFOKGMG-RDJZCZTQSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579445 489196741 /nfs/dbraw/zinc/19/67/41/489196741.db2.gz AICXDKWFFOKGMG-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366579445 489196743 /nfs/dbraw/zinc/19/67/43/489196743.db2.gz AICXDKWFFOKGMG-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366579445 489196747 /nfs/dbraw/zinc/19/67/47/489196747.db2.gz AICXDKWFFOKGMG-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366579445 489196748 /nfs/dbraw/zinc/19/67/48/489196748.db2.gz AICXDKWFFOKGMG-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000297521473 489205681 /nfs/dbraw/zinc/20/56/81/489205681.db2.gz ONEXLORFACFLPO-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000297521473 489205684 /nfs/dbraw/zinc/20/56/84/489205684.db2.gz ONEXLORFACFLPO-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438380 489211273 /nfs/dbraw/zinc/21/12/73/489211273.db2.gz XBAPVIMNVCHSCA-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438380 489211276 /nfs/dbraw/zinc/21/12/76/489211276.db2.gz XBAPVIMNVCHSCA-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438380 489211279 /nfs/dbraw/zinc/21/12/79/489211279.db2.gz XBAPVIMNVCHSCA-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000331438380 489211281 /nfs/dbraw/zinc/21/12/81/489211281.db2.gz XBAPVIMNVCHSCA-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000283102269 489215457 /nfs/dbraw/zinc/21/54/57/489215457.db2.gz AVINBVNKFQXZJH-INIZCTEOSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000283102269 489215459 /nfs/dbraw/zinc/21/54/59/489215459.db2.gz AVINBVNKFQXZJH-INIZCTEOSA-N 2 2 369.469 0.952 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283128148 489218233 /nfs/dbraw/zinc/21/82/33/489218233.db2.gz ZKESUWHIEVSZEY-WMZOPIPTSA-N 2 2 355.442 0.848 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283128148 489218236 /nfs/dbraw/zinc/21/82/36/489218236.db2.gz ZKESUWHIEVSZEY-WMZOPIPTSA-N 2 2 355.442 0.848 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283128148 489218238 /nfs/dbraw/zinc/21/82/38/489218238.db2.gz ZKESUWHIEVSZEY-WMZOPIPTSA-N 2 2 355.442 0.848 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283128148 489218240 /nfs/dbraw/zinc/21/82/40/489218240.db2.gz ZKESUWHIEVSZEY-WMZOPIPTSA-N 2 2 355.442 0.848 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000332562073 489220170 /nfs/dbraw/zinc/22/01/70/489220170.db2.gz XCARNLLXHKTUSR-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690144 489224764 /nfs/dbraw/zinc/22/47/64/489224764.db2.gz FERKQZXRVYQHEN-YOEHRIQHSA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000297690144 489224768 /nfs/dbraw/zinc/22/47/68/489224768.db2.gz FERKQZXRVYQHEN-YOEHRIQHSA-N 2 2 357.458 0.701 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000297700860 489225830 /nfs/dbraw/zinc/22/58/30/489225830.db2.gz FWQNYHWQOJYDQB-LTIDMASMSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000297700860 489225832 /nfs/dbraw/zinc/22/58/32/489225832.db2.gz FWQNYHWQOJYDQB-LTIDMASMSA-N 2 2 359.474 0.845 20 0 FCADLP O=C(C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000332774405 489228628 /nfs/dbraw/zinc/22/86/28/489228628.db2.gz IHEGYXIKBZHBLP-KZNAEPCWSA-N 2 2 351.491 0.591 20 0 FCADLP O=C(C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000332774405 489228630 /nfs/dbraw/zinc/22/86/30/489228630.db2.gz IHEGYXIKBZHBLP-KZNAEPCWSA-N 2 2 351.491 0.591 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000297715187 489228957 /nfs/dbraw/zinc/22/89/57/489228957.db2.gz CTJGVKBYLOFLJG-QGZVFWFLSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000332786628 489230579 /nfs/dbraw/zinc/23/05/79/489230579.db2.gz HCLFCTXBZNLYEL-DOTOQJQBSA-N 2 2 357.520 0.279 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000297734575 489232215 /nfs/dbraw/zinc/23/22/15/489232215.db2.gz HLNHUVYMDDLUDF-HOTGVXAUSA-N 2 2 363.462 0.083 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000283274644 489236943 /nfs/dbraw/zinc/23/69/43/489236943.db2.gz NPZKPURCPOJOCI-UHFFFAOYSA-N 2 2 361.421 0.777 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000283274644 489236947 /nfs/dbraw/zinc/23/69/47/489236947.db2.gz NPZKPURCPOJOCI-UHFFFAOYSA-N 2 2 361.421 0.777 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000283272668 489237080 /nfs/dbraw/zinc/23/70/80/489237080.db2.gz FZYSIXOZPBGSTA-QGZVFWFLSA-N 2 2 355.442 0.953 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283275171 489237338 /nfs/dbraw/zinc/23/73/38/489237338.db2.gz BAEDJSZOVQUYSX-INIZCTEOSA-N 2 2 357.458 0.936 20 0 FCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH2+]C)c3cnn(C)c3)CC2)cn1 ZINC000570447926 491241089 /nfs/dbraw/zinc/24/10/89/491241089.db2.gz DIJVAOFZUCYAMI-QGZVFWFLSA-N 2 2 359.478 0.632 20 0 FCADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH2+]C)c3cnn(C)c3)CC2)cn1 ZINC000570447926 491241093 /nfs/dbraw/zinc/24/10/93/491241093.db2.gz DIJVAOFZUCYAMI-QGZVFWFLSA-N 2 2 359.478 0.632 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000283287734 489239370 /nfs/dbraw/zinc/23/93/70/489239370.db2.gz HCDZQSWBUDBHAU-QGZVFWFLSA-N 2 2 355.442 0.780 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000283287734 489239372 /nfs/dbraw/zinc/23/93/72/489239372.db2.gz HCDZQSWBUDBHAU-QGZVFWFLSA-N 2 2 355.442 0.780 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000297809686 489244272 /nfs/dbraw/zinc/24/42/72/489244272.db2.gz LMGXVDZMJGQGBR-IKGGRYGDSA-N 2 2 357.458 0.765 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]21 ZINC000332948401 489249617 /nfs/dbraw/zinc/24/96/17/489249617.db2.gz YKVJRPAFTIOCIJ-SJORKVTESA-N 2 2 366.506 0.746 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]21 ZINC000332948401 489249620 /nfs/dbraw/zinc/24/96/20/489249620.db2.gz YKVJRPAFTIOCIJ-SJORKVTESA-N 2 2 366.506 0.746 20 0 FCADLP CCN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332958211 489250520 /nfs/dbraw/zinc/25/05/20/489250520.db2.gz OSDMPLNMKFACIK-HZPDHXFCSA-N 2 2 364.494 0.766 20 0 FCADLP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)ccn1 ZINC000283387978 489253111 /nfs/dbraw/zinc/25/31/11/489253111.db2.gz WXZRCVMZSGBGCK-UHFFFAOYSA-N 2 2 374.445 0.041 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC000297862563 489253518 /nfs/dbraw/zinc/25/35/18/489253518.db2.gz NDVZOJRHJRJTOA-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)CC[C@@H]21 ZINC000297862563 489253520 /nfs/dbraw/zinc/25/35/20/489253520.db2.gz NDVZOJRHJRJTOA-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)NCC[N@@H+]3CCOC(C)(C)C3)n2)CC1 ZINC000369679550 489262988 /nfs/dbraw/zinc/26/29/88/489262988.db2.gz DBJKGJTZVPSPED-UHFFFAOYSA-N 2 2 364.494 1.382 20 0 FCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297950002 489267538 /nfs/dbraw/zinc/26/75/38/489267538.db2.gz UIZYXZUKXPANSU-UHFFFAOYSA-N 2 2 366.510 0.074 20 0 FCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297950002 489267540 /nfs/dbraw/zinc/26/75/40/489267540.db2.gz UIZYXZUKXPANSU-UHFFFAOYSA-N 2 2 366.510 0.074 20 0 FCADLP CN(CCCN(C)C(=O)C(=O)N(C)CCCn1cc[nH+]c1)CC[NH+](C)C ZINC000297950002 489267541 /nfs/dbraw/zinc/26/75/41/489267541.db2.gz UIZYXZUKXPANSU-UHFFFAOYSA-N 2 2 366.510 0.074 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NCCCn2cc[nH+]c2)[NH+](C)C)c1 ZINC000283517442 489268972 /nfs/dbraw/zinc/26/89/72/489268972.db2.gz QMKVPKDPWZTHDP-KRWDZBQOSA-N 2 2 373.457 0.817 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)CCCO1 ZINC000283557300 489274896 /nfs/dbraw/zinc/27/48/96/489274896.db2.gz LRCLITAHENXAHS-OAHLLOKOSA-N 2 2 351.451 0.007 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)CCCO1 ZINC000283557300 489274897 /nfs/dbraw/zinc/27/48/97/489274897.db2.gz LRCLITAHENXAHS-OAHLLOKOSA-N 2 2 351.451 0.007 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(O)cc1 ZINC000283564098 489275788 /nfs/dbraw/zinc/27/57/88/489275788.db2.gz NMWPLSVZBWKRDG-UHFFFAOYSA-N 2 2 362.474 0.493 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(O)cc1 ZINC000283564098 489275791 /nfs/dbraw/zinc/27/57/91/489275791.db2.gz NMWPLSVZBWKRDG-UHFFFAOYSA-N 2 2 362.474 0.493 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000283579167 489277670 /nfs/dbraw/zinc/27/76/70/489277670.db2.gz SKISPXTZSIPQQL-OAHLLOKOSA-N 2 2 373.457 0.298 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000283579167 489277672 /nfs/dbraw/zinc/27/76/72/489277672.db2.gz SKISPXTZSIPQQL-OAHLLOKOSA-N 2 2 373.457 0.298 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284242772 489304405 /nfs/dbraw/zinc/30/44/05/489304405.db2.gz FTTOGFKULWROGH-RDJZCZTQSA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284242772 489304407 /nfs/dbraw/zinc/30/44/07/489304407.db2.gz FTTOGFKULWROGH-RDJZCZTQSA-N 2 2 369.469 0.936 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000284254984 489307158 /nfs/dbraw/zinc/30/71/58/489307158.db2.gz LTAPPIPZJHZUNA-UHFFFAOYSA-N 2 2 355.442 0.601 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000284254984 489307161 /nfs/dbraw/zinc/30/71/61/489307161.db2.gz LTAPPIPZJHZUNA-UHFFFAOYSA-N 2 2 355.442 0.601 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000298394795 489322490 /nfs/dbraw/zinc/32/24/90/489322490.db2.gz VMHCBZLRPFAILJ-OAHLLOKOSA-N 2 2 364.494 0.650 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000298394795 489322494 /nfs/dbraw/zinc/32/24/94/489322494.db2.gz VMHCBZLRPFAILJ-OAHLLOKOSA-N 2 2 364.494 0.650 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285860771 489327863 /nfs/dbraw/zinc/32/78/63/489327863.db2.gz YJZCCJVMSOKGHL-CQSZACIVSA-N 2 2 354.451 0.894 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285860771 489327864 /nfs/dbraw/zinc/32/78/64/489327864.db2.gz YJZCCJVMSOKGHL-CQSZACIVSA-N 2 2 354.451 0.894 20 0 FCADLP COC[C@@H](C)NC(=O)NC(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285860771 489327866 /nfs/dbraw/zinc/32/78/66/489327866.db2.gz YJZCCJVMSOKGHL-CQSZACIVSA-N 2 2 354.451 0.894 20 0 FCADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2cc[nH]c2)CC3)CC1 ZINC000370230687 489331967 /nfs/dbraw/zinc/33/19/67/489331967.db2.gz NWOINUDXJSPFAK-OAHLLOKOSA-N 2 2 356.474 0.951 20 0 FCADLP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000350681114 489345083 /nfs/dbraw/zinc/34/50/83/489345083.db2.gz QBOFJFDCTAUEFV-ZIAGYGMSSA-N 2 2 351.451 0.433 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1CC(C)(C)O ZINC000298650413 489349252 /nfs/dbraw/zinc/34/92/52/489349252.db2.gz QGUKXKQWZBWJGT-ZDUSSCGKSA-N 2 2 359.430 0.576 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1CC(C)(C)O ZINC000298650413 489349256 /nfs/dbraw/zinc/34/92/56/489349256.db2.gz QGUKXKQWZBWJGT-ZDUSSCGKSA-N 2 2 359.430 0.576 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000298705536 489354760 /nfs/dbraw/zinc/35/47/60/489354760.db2.gz IMZDMQLHBHXXNK-INIZCTEOSA-N 2 2 369.893 0.923 20 0 FCADLP CS(=O)(=O)NCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286151961 489361135 /nfs/dbraw/zinc/36/11/35/489361135.db2.gz VYSOVIRTHHROCO-GOSISDBHSA-N 2 2 366.531 0.428 20 0 FCADLP CS(=O)(=O)NCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286151961 489361136 /nfs/dbraw/zinc/36/11/36/489361136.db2.gz VYSOVIRTHHROCO-GOSISDBHSA-N 2 2 366.531 0.428 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000298791948 489365721 /nfs/dbraw/zinc/36/57/21/489365721.db2.gz YEAWRKRAASVNNI-UHFFFAOYSA-N 2 2 355.442 0.825 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000286240995 489372952 /nfs/dbraw/zinc/37/29/52/489372952.db2.gz UUCCBLYMKJESGF-AWEZNQCLSA-N 2 2 355.442 0.599 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000286240995 489372955 /nfs/dbraw/zinc/37/29/55/489372955.db2.gz UUCCBLYMKJESGF-AWEZNQCLSA-N 2 2 355.442 0.599 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370560042 489374998 /nfs/dbraw/zinc/37/49/98/489374998.db2.gz WVYJDRZJEYAEDD-FGTMMUONSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370560042 489375002 /nfs/dbraw/zinc/37/50/02/489375002.db2.gz WVYJDRZJEYAEDD-FGTMMUONSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000362394471 489385676 /nfs/dbraw/zinc/38/56/76/489385676.db2.gz DKLJKHYSNMKCAF-MWDXBVQZSA-N 2 2 354.495 0.336 20 0 FCADLP CCc1cnc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000370655579 489386035 /nfs/dbraw/zinc/38/60/35/489386035.db2.gz GSKUQIJGMFITSO-LBPRGKRZSA-N 2 2 365.503 0.929 20 0 FCADLP CCc1cnc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000370655579 489386037 /nfs/dbraw/zinc/38/60/37/489386037.db2.gz GSKUQIJGMFITSO-LBPRGKRZSA-N 2 2 365.503 0.929 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000362672847 489391756 /nfs/dbraw/zinc/39/17/56/489391756.db2.gz KVRUPUORSAQJDL-ZWKOTPCHSA-N 3 2 367.538 0.253 20 0 FCADLP Cc1sc(=O)n(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000362708003 489393105 /nfs/dbraw/zinc/39/31/05/489393105.db2.gz ALGXZZADIFIEIG-CQSZACIVSA-N 2 2 352.504 0.811 20 0 FCADLP Cc1sc(=O)n(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000362708003 489393107 /nfs/dbraw/zinc/39/31/07/489393107.db2.gz ALGXZZADIFIEIG-CQSZACIVSA-N 2 2 352.504 0.811 20 0 FCADLP C[C@@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc[nH+]1 ZINC000299064971 489401266 /nfs/dbraw/zinc/40/12/66/489401266.db2.gz VDMQWNVKGPRXSZ-FFHGMXDLSA-N 2 2 362.478 0.765 20 0 FCADLP C[C@@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc[nH+]1 ZINC000299064971 489401270 /nfs/dbraw/zinc/40/12/70/489401270.db2.gz VDMQWNVKGPRXSZ-FFHGMXDLSA-N 2 2 362.478 0.765 20 0 FCADLP C[C@@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]cn1 ZINC000299064971 489401271 /nfs/dbraw/zinc/40/12/71/489401271.db2.gz VDMQWNVKGPRXSZ-FFHGMXDLSA-N 2 2 362.478 0.765 20 0 FCADLP C[C@@H](O)CNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]cn1 ZINC000299064971 489401275 /nfs/dbraw/zinc/40/12/75/489401275.db2.gz VDMQWNVKGPRXSZ-FFHGMXDLSA-N 2 2 362.478 0.765 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000362896045 489403809 /nfs/dbraw/zinc/40/38/09/489403809.db2.gz GTSVCESKVJSVKE-KURKYZTESA-N 2 2 367.538 0.111 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC000370805953 489405028 /nfs/dbraw/zinc/40/50/28/489405028.db2.gz LDIJYFGREOBFEB-FQEVSTJZSA-N 2 2 372.513 0.981 20 0 FCADLP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[NH+](C)C ZINC000299179734 489414062 /nfs/dbraw/zinc/41/40/62/489414062.db2.gz ULOKDWREOVJOHW-HNNXBMFYSA-N 2 2 361.490 0.439 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@]3(OC)CCOC3)CC2)CC1 ZINC000570624251 491254041 /nfs/dbraw/zinc/25/40/41/491254041.db2.gz MEVPWPCYCPXBAV-IBGZPJMESA-N 2 2 368.522 0.994 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@]3(OC)CCOC3)CC2)CC1 ZINC000570624251 491254043 /nfs/dbraw/zinc/25/40/43/491254043.db2.gz MEVPWPCYCPXBAV-IBGZPJMESA-N 2 2 368.522 0.994 20 0 FCADLP Cc1ncc2c(n1)CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C2 ZINC000363131318 489427836 /nfs/dbraw/zinc/42/78/36/489427836.db2.gz JXCZARJFDHERSF-INIZCTEOSA-N 2 2 360.506 0.968 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000286784061 489428550 /nfs/dbraw/zinc/42/85/50/489428550.db2.gz ZEDNHYGHQGQTPF-OWCLPIDISA-N 2 2 363.462 0.130 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000286784061 489428552 /nfs/dbraw/zinc/42/85/52/489428552.db2.gz ZEDNHYGHQGQTPF-OWCLPIDISA-N 2 2 363.462 0.130 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021574 489439273 /nfs/dbraw/zinc/43/92/73/489439273.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021574 489439275 /nfs/dbraw/zinc/43/92/75/489439275.db2.gz ZZATUXUKTZRGSW-HOTGVXAUSA-N 3 2 353.511 0.175 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363226593 489441334 /nfs/dbraw/zinc/44/13/34/489441334.db2.gz XQYYKALMQDQIDO-HNNXBMFYSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363226593 489441336 /nfs/dbraw/zinc/44/13/36/489441336.db2.gz XQYYKALMQDQIDO-HNNXBMFYSA-N 2 2 360.458 0.918 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000570697540 491258331 /nfs/dbraw/zinc/25/83/31/491258331.db2.gz UORCBJRGZXRYQW-HNNXBMFYSA-N 2 2 359.474 0.885 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000287022421 489452804 /nfs/dbraw/zinc/45/28/04/489452804.db2.gz IIESJGMLBGXFKP-HNNXBMFYSA-N 2 2 363.462 0.126 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000287024453 489453021 /nfs/dbraw/zinc/45/30/21/489453021.db2.gz DQJSRVPGCOMHND-HOTGVXAUSA-N 2 2 359.474 0.719 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1C ZINC000287062557 489456845 /nfs/dbraw/zinc/45/68/45/489456845.db2.gz TZUIEVYWRLCWAC-CYBMUJFWSA-N 2 2 359.434 0.579 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000287100886 489461218 /nfs/dbraw/zinc/46/12/18/489461218.db2.gz NEKLNPHXIZJPHG-OAHLLOKOSA-N 2 2 363.462 0.126 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000570699403 491258919 /nfs/dbraw/zinc/25/89/19/491258919.db2.gz WBELMEWPPBRKPE-KBPBESRZSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000570699403 491258921 /nfs/dbraw/zinc/25/89/21/491258921.db2.gz WBELMEWPPBRKPE-KBPBESRZSA-N 2 2 359.430 0.195 20 0 FCADLP COc1cc(OC)c(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000563578801 491255740 /nfs/dbraw/zinc/25/57/40/491255740.db2.gz NJFDWBAVZLDYIU-ZDUSSCGKSA-N 2 2 366.462 0.539 20 0 FCADLP COc1cc(OC)c(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000563578801 491255743 /nfs/dbraw/zinc/25/57/43/491255743.db2.gz NJFDWBAVZLDYIU-ZDUSSCGKSA-N 2 2 366.462 0.539 20 0 FCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000287321950 489477607 /nfs/dbraw/zinc/47/76/07/489477607.db2.gz MFMAOZNLKDPJOI-RDJZCZTQSA-N 2 2 362.474 0.957 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(=O)N1c2ccccc2C[C@H]1C ZINC000570667215 491256692 /nfs/dbraw/zinc/25/66/92/491256692.db2.gz PYIMHQMTUWONCO-YCPHGPKFSA-N 2 2 359.474 0.637 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(=O)N1c2ccccc2C[C@H]1C ZINC000570667215 491256695 /nfs/dbraw/zinc/25/66/95/491256695.db2.gz PYIMHQMTUWONCO-YCPHGPKFSA-N 2 2 359.474 0.637 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)s1 ZINC000423250648 489506970 /nfs/dbraw/zinc/50/69/70/489506970.db2.gz QPFAZHLCHARSKK-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000423260339 489508473 /nfs/dbraw/zinc/50/84/73/489508473.db2.gz QBFQIEZDMWQYDR-RDJZCZTQSA-N 2 2 374.485 0.850 20 0 FCADLP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H]1CC ZINC000423270966 489509901 /nfs/dbraw/zinc/50/99/01/489509901.db2.gz HFBUGROCIVUSOZ-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H]1CC ZINC000423270966 489509904 /nfs/dbraw/zinc/50/99/04/489509904.db2.gz HFBUGROCIVUSOZ-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]1C[NH3+] ZINC000415188368 489513302 /nfs/dbraw/zinc/51/33/02/489513302.db2.gz OBBCXIYVXKGPIO-GJZGRUSLSA-N 2 2 350.467 0.806 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000371831619 489515713 /nfs/dbraw/zinc/51/57/13/489515713.db2.gz ZMFOTKBMLRMXRV-OAHLLOKOSA-N 2 2 366.466 0.058 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000371831619 489515716 /nfs/dbraw/zinc/51/57/16/489515716.db2.gz ZMFOTKBMLRMXRV-OAHLLOKOSA-N 2 2 366.466 0.058 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000415374015 489516470 /nfs/dbraw/zinc/51/64/70/489516470.db2.gz IIKCFGBZFSSJLD-WMLDXEAASA-N 2 2 360.458 0.887 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000415374011 489516573 /nfs/dbraw/zinc/51/65/73/489516573.db2.gz IIKCFGBZFSSJLD-PBHICJAKSA-N 2 2 360.458 0.887 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415417875 489518242 /nfs/dbraw/zinc/51/82/42/489518242.db2.gz WNBLGLNHZCGGHF-OAHLLOKOSA-N 2 2 361.490 0.344 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(F)(F)C[NH3+])ccn2)CC1 ZINC000415415866 489518310 /nfs/dbraw/zinc/51/83/10/489518310.db2.gz MGAUOQNDWIBHMX-UHFFFAOYSA-N 2 2 356.377 0.185 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000415448300 489521989 /nfs/dbraw/zinc/52/19/89/489521989.db2.gz XVKOHKCRKDDWDM-MRXNPFEDSA-N 2 2 373.501 0.583 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000451764103 489522359 /nfs/dbraw/zinc/52/23/59/489522359.db2.gz RBMJPPFOOUGPOX-QZTJIDSGSA-N 2 2 363.458 0.031 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000451764103 489522361 /nfs/dbraw/zinc/52/23/61/489522361.db2.gz RBMJPPFOOUGPOX-QZTJIDSGSA-N 2 2 363.458 0.031 20 0 FCADLP CNc1nnc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000371895037 489522798 /nfs/dbraw/zinc/52/27/98/489522798.db2.gz WHYLDIIBWHFCTL-ZDUSSCGKSA-N 2 2 352.508 0.749 20 0 FCADLP CNc1nnc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000371895037 489522800 /nfs/dbraw/zinc/52/28/00/489522800.db2.gz WHYLDIIBWHFCTL-ZDUSSCGKSA-N 2 2 352.508 0.749 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415478750 489524603 /nfs/dbraw/zinc/52/46/03/489524603.db2.gz ZLFBOMGKOVGBKJ-SJORKVTESA-N 2 2 372.469 0.810 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000415517316 489526829 /nfs/dbraw/zinc/52/68/29/489526829.db2.gz JMABENSQMFCKBJ-UHFFFAOYSA-N 2 2 361.490 0.488 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415582252 489533084 /nfs/dbraw/zinc/53/30/84/489533084.db2.gz UECHGMFDJXAMET-DOTOQJQBSA-N 2 2 373.501 0.568 20 0 FCADLP COC[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451941125 489533227 /nfs/dbraw/zinc/53/32/27/489533227.db2.gz ZGFCFHNVJPOLDY-GOSISDBHSA-N 2 2 367.515 0.723 20 0 FCADLP COC[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451941125 489533229 /nfs/dbraw/zinc/53/32/29/489533229.db2.gz ZGFCFHNVJPOLDY-GOSISDBHSA-N 2 2 367.515 0.723 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091959 489543756 /nfs/dbraw/zinc/54/37/56/489543756.db2.gz MITUGIOAJUOGKZ-KRWDZBQOSA-N 2 2 373.501 0.876 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCNC(=O)c3cccnc3)C2)CC1 ZINC000372091959 489543759 /nfs/dbraw/zinc/54/37/59/489543759.db2.gz MITUGIOAJUOGKZ-KRWDZBQOSA-N 2 2 373.501 0.876 20 0 FCADLP NC(=O)C[C@@H]1COCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000452079951 489543909 /nfs/dbraw/zinc/54/39/09/489543909.db2.gz GPBNKHAMZFVLQZ-GOSISDBHSA-N 2 2 374.485 0.475 20 0 FCADLP NC(=O)C[C@@H]1COCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000452079951 489543913 /nfs/dbraw/zinc/54/39/13/489543913.db2.gz GPBNKHAMZFVLQZ-GOSISDBHSA-N 2 2 374.485 0.475 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N(C)C2C[NH2+]C2)C[C@@H](C)O1 ZINC000415734436 489548245 /nfs/dbraw/zinc/54/82/45/489548245.db2.gz JKKBDGXALWCTIW-ZIAGYGMSSA-N 2 2 360.458 0.665 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415747369 489549623 /nfs/dbraw/zinc/54/96/23/489549623.db2.gz OOMOPCAJBFIEHJ-RDJZCZTQSA-N 2 2 372.469 0.525 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426017812 489552974 /nfs/dbraw/zinc/55/29/74/489552974.db2.gz DJUCIQDHNXQLKH-UHFFFAOYSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000415786496 489553324 /nfs/dbraw/zinc/55/33/24/489553324.db2.gz IIUGRGLASPQUPL-BZOOQXSSSA-N 2 2 360.458 0.966 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000426029380 489553774 /nfs/dbraw/zinc/55/37/74/489553774.db2.gz KFGSQPAFQLHGNQ-GJZGRUSLSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[N@H+]1CCCC[C@@H]1C ZINC000426029380 489553776 /nfs/dbraw/zinc/55/37/76/489553776.db2.gz KFGSQPAFQLHGNQ-GJZGRUSLSA-N 2 2 353.511 0.840 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000563673201 491262586 /nfs/dbraw/zinc/26/25/86/491262586.db2.gz LKEUJVQWUAFTIY-LYYZXLFJSA-N 2 2 359.536 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000426226578 489559718 /nfs/dbraw/zinc/55/97/18/489559718.db2.gz IJILEHBCTOHRBD-GASCZTMLSA-N 2 2 369.510 0.077 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000426226578 489559720 /nfs/dbraw/zinc/55/97/20/489559720.db2.gz IJILEHBCTOHRBD-GASCZTMLSA-N 2 2 369.510 0.077 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC[NH2+]C3CC3)c2)CC1 ZINC000415863539 489561226 /nfs/dbraw/zinc/56/12/26/489561226.db2.gz UMQXMIOKKPFILF-UHFFFAOYSA-N 2 2 373.501 0.631 20 0 FCADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C(F)(F)F ZINC000415996011 489567343 /nfs/dbraw/zinc/56/73/43/489567343.db2.gz OEMMLFLLNQPHBV-LBPRGKRZSA-N 2 2 365.400 0.216 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000555669259 491264639 /nfs/dbraw/zinc/26/46/39/491264639.db2.gz LULCIZBYCCYLQJ-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CN(C(=O)C1(C)CCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000426745199 489582080 /nfs/dbraw/zinc/58/20/80/489582080.db2.gz ZKPGLZPFYCNNSZ-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000555676119 491265509 /nfs/dbraw/zinc/26/55/09/491265509.db2.gz WKXQUOLNHSJWQA-UHFFFAOYSA-N 2 2 355.442 0.758 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](OCCO)C3)C2)CC1 ZINC000372591720 489604664 /nfs/dbraw/zinc/60/46/64/489604664.db2.gz OJWXUVUHPUTQCX-WBVHZDCISA-N 2 2 354.495 0.338 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](OCCO)C3)C2)CC1 ZINC000372591720 489604667 /nfs/dbraw/zinc/60/46/67/489604667.db2.gz OJWXUVUHPUTQCX-WBVHZDCISA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000456217649 489611094 /nfs/dbraw/zinc/61/10/94/489611094.db2.gz XUULITMMGHBHIY-HDICACEKSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000456217649 489611097 /nfs/dbraw/zinc/61/10/97/489611097.db2.gz XUULITMMGHBHIY-HDICACEKSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000456217649 489611100 /nfs/dbraw/zinc/61/11/00/489611100.db2.gz XUULITMMGHBHIY-HDICACEKSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000456217649 489611102 /nfs/dbraw/zinc/61/11/02/489611102.db2.gz XUULITMMGHBHIY-HDICACEKSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000427494869 489611751 /nfs/dbraw/zinc/61/17/51/489611751.db2.gz LNNVNXQVERFPGP-OAHLLOKOSA-N 2 2 369.506 0.972 20 0 FCADLP C[C@H](C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000427494869 489611753 /nfs/dbraw/zinc/61/17/53/489611753.db2.gz LNNVNXQVERFPGP-OAHLLOKOSA-N 2 2 369.506 0.972 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000372738289 489631910 /nfs/dbraw/zinc/63/19/10/489631910.db2.gz GFIFKRXMALZVBX-QZTJIDSGSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000372738291 489631982 /nfs/dbraw/zinc/63/19/82/489631982.db2.gz GFIFKRXMALZVBX-ROUUACIJSA-N 2 2 367.538 0.517 20 0 FCADLP CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457085265 489634928 /nfs/dbraw/zinc/63/49/28/489634928.db2.gz ZHLZYJBCEKWWIT-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457085265 489634930 /nfs/dbraw/zinc/63/49/30/489634930.db2.gz ZHLZYJBCEKWWIT-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC(F)(F)C[NH3+])cc2)CC1 ZINC000416974971 489637245 /nfs/dbraw/zinc/63/72/45/489637245.db2.gz MZHOXMAOILKWOX-UHFFFAOYSA-N 2 2 369.416 0.467 20 0 FCADLP Cc1cccc([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCOCC2)c1 ZINC000417004304 489638169 /nfs/dbraw/zinc/63/81/69/489638169.db2.gz WRJVSNHOLNIMLN-ROUUACIJSA-N 2 2 362.474 0.737 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257104 489645651 /nfs/dbraw/zinc/64/56/51/489645651.db2.gz GTQGOAQJRJIDIS-NVXWUHKLSA-N 2 2 356.536 0.835 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[C@@H](C[NH3+])C1 ZINC000417269167 489646065 /nfs/dbraw/zinc/64/60/65/489646065.db2.gz MEWUBBMVXCWXGC-BFYDXBDKSA-N 2 2 356.536 0.963 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@H](C[NH3+])C1 ZINC000417269170 489646288 /nfs/dbraw/zinc/64/62/88/489646288.db2.gz MEWUBBMVXCWXGC-VYDXJSESSA-N 2 2 356.536 0.963 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000457439585 489646475 /nfs/dbraw/zinc/64/64/75/489646475.db2.gz NTYHHMXQKYAEIP-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000457439585 489646478 /nfs/dbraw/zinc/64/64/78/489646478.db2.gz NTYHHMXQKYAEIP-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCO1 ZINC000372887860 489647870 /nfs/dbraw/zinc/64/78/70/489647870.db2.gz AKLIUWDDRKEGGU-LJQANCHMSA-N 3 2 368.566 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCO1 ZINC000372887860 489647874 /nfs/dbraw/zinc/64/78/74/489647874.db2.gz AKLIUWDDRKEGGU-LJQANCHMSA-N 3 2 368.566 0.874 20 0 FCADLP C[C@@H]1C[N@H+](CCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCO1 ZINC000372887860 489647876 /nfs/dbraw/zinc/64/78/76/489647876.db2.gz AKLIUWDDRKEGGU-LJQANCHMSA-N 3 2 368.566 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCO1 ZINC000372887860 489647878 /nfs/dbraw/zinc/64/78/78/489647878.db2.gz AKLIUWDDRKEGGU-LJQANCHMSA-N 3 2 368.566 0.874 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000457514891 489647884 /nfs/dbraw/zinc/64/78/84/489647884.db2.gz NCOMFDCDOJWDOK-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000457514891 489647888 /nfs/dbraw/zinc/64/78/88/489647888.db2.gz NCOMFDCDOJWDOK-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000457514891 489647890 /nfs/dbraw/zinc/64/78/90/489647890.db2.gz NCOMFDCDOJWDOK-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000457514891 489647893 /nfs/dbraw/zinc/64/78/93/489647893.db2.gz NCOMFDCDOJWDOK-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP [NH3+][C@@H](CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000417370506 489650652 /nfs/dbraw/zinc/65/06/52/489650652.db2.gz SXHHQCZEDREKDY-HNNXBMFYSA-N 2 2 360.462 0.157 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C2)CC1 ZINC000372944605 489654592 /nfs/dbraw/zinc/65/45/92/489654592.db2.gz XVLSGMGQDACABO-LLVKDONJSA-N 2 2 364.412 0.728 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)NC(=O)C(F)(F)F)C2)CC1 ZINC000372944605 489654595 /nfs/dbraw/zinc/65/45/95/489654595.db2.gz XVLSGMGQDACABO-LLVKDONJSA-N 2 2 364.412 0.728 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372985134 489658502 /nfs/dbraw/zinc/65/85/02/489658502.db2.gz VWEXQCFFZQCMPQ-SJORKVTESA-N 2 2 366.506 0.794 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000417772183 489665121 /nfs/dbraw/zinc/66/51/21/489665121.db2.gz HHFAXBGEQNFBGC-ZIAGYGMSSA-N 2 2 363.466 0.165 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H]2C[NH2+]CCCO2)[nH+]cn1 ZINC000417772183 489665123 /nfs/dbraw/zinc/66/51/23/489665123.db2.gz HHFAXBGEQNFBGC-ZIAGYGMSSA-N 2 2 363.466 0.165 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805740 491269983 /nfs/dbraw/zinc/26/99/83/491269983.db2.gz KBLXQBASGPKMBZ-KBRIMQKVSA-N 2 2 358.442 0.937 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805740 491269985 /nfs/dbraw/zinc/26/99/85/491269985.db2.gz KBLXQBASGPKMBZ-KBRIMQKVSA-N 2 2 358.442 0.937 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000458316392 489676461 /nfs/dbraw/zinc/67/64/61/489676461.db2.gz RDVMSRYMBOOSIJ-IAGOWNOFSA-N 2 2 369.554 0.811 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000458316392 489676462 /nfs/dbraw/zinc/67/64/62/489676462.db2.gz RDVMSRYMBOOSIJ-IAGOWNOFSA-N 2 2 369.554 0.811 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000458316391 489676728 /nfs/dbraw/zinc/67/67/28/489676728.db2.gz RDVMSRYMBOOSIJ-DLBZAZTESA-N 2 2 369.554 0.811 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000458316391 489676730 /nfs/dbraw/zinc/67/67/30/489676730.db2.gz RDVMSRYMBOOSIJ-DLBZAZTESA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418284677 489688013 /nfs/dbraw/zinc/68/80/13/489688013.db2.gz CLVFRLXTXPLKII-QGZVFWFLSA-N 2 2 360.506 0.765 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000418315320 489691180 /nfs/dbraw/zinc/69/11/80/489691180.db2.gz UVHUXHBLRKLGIS-CVEARBPZSA-N 2 2 353.511 0.570 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418408028 489696467 /nfs/dbraw/zinc/69/64/67/489696467.db2.gz MFMRMAFMUNXBSV-HZPDHXFCSA-N 2 2 353.511 0.700 20 0 FCADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418704034 489719029 /nfs/dbraw/zinc/71/90/29/489719029.db2.gz FTPHVBPIGDDZFY-AWEZNQCLSA-N 2 2 365.453 0.620 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000570923981 491273871 /nfs/dbraw/zinc/27/38/71/491273871.db2.gz PJZCSFBAYUQZQY-UHFFFAOYSA-N 2 2 369.473 0.864 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000459193232 489722464 /nfs/dbraw/zinc/72/24/64/489722464.db2.gz ZZPKWSSIGWZEFT-MSOLQXFVSA-N 2 2 357.458 0.897 20 0 FCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000459193232 489722469 /nfs/dbraw/zinc/72/24/69/489722469.db2.gz ZZPKWSSIGWZEFT-MSOLQXFVSA-N 2 2 357.458 0.897 20 0 FCADLP COC(=O)[C@H]([NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1(OC)CCC1 ZINC000459367366 489728880 /nfs/dbraw/zinc/72/88/80/489728880.db2.gz DOXZBCHHRODEOP-HNNXBMFYSA-N 2 2 356.463 0.256 20 0 FCADLP CN(C)C(=O)CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000430296160 489729182 /nfs/dbraw/zinc/72/91/82/489729182.db2.gz FIDVDSINUFJICL-KRWDZBQOSA-N 2 2 357.458 0.786 20 0 FCADLP CCN(C(=O)C[N@H+](CCC[NH3+])CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000489860536 489731723 /nfs/dbraw/zinc/73/17/23/489731723.db2.gz SLRLIUFATXRNGM-MRXNPFEDSA-N 2 2 359.536 0.863 20 0 FCADLP CCN(C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000489860536 489731728 /nfs/dbraw/zinc/73/17/28/489731728.db2.gz SLRLIUFATXRNGM-MRXNPFEDSA-N 2 2 359.536 0.863 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418807232 489731798 /nfs/dbraw/zinc/73/17/98/489731798.db2.gz PPRXVNXNHFTPBC-CQSZACIVSA-N 2 2 370.856 0.895 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418807232 489731801 /nfs/dbraw/zinc/73/18/01/489731801.db2.gz PPRXVNXNHFTPBC-CQSZACIVSA-N 2 2 370.856 0.895 20 0 FCADLP C[C@@H]1NC(=O)N(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434855 489732392 /nfs/dbraw/zinc/73/23/92/489732392.db2.gz VDOYMBYHSPCTDS-HNAYVOBHSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000459434855 489732393 /nfs/dbraw/zinc/73/23/93/489732393.db2.gz VDOYMBYHSPCTDS-HNAYVOBHSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000459434855 489732394 /nfs/dbraw/zinc/73/23/94/489732394.db2.gz VDOYMBYHSPCTDS-HNAYVOBHSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1NC(=O)N(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000459434855 489732395 /nfs/dbraw/zinc/73/23/95/489732395.db2.gz VDOYMBYHSPCTDS-HNAYVOBHSA-N 2 2 360.458 0.496 20 0 FCADLP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418809399 489733825 /nfs/dbraw/zinc/73/38/25/489733825.db2.gz SOQOIONBYWGURK-ZDUSSCGKSA-N 2 2 356.829 0.635 20 0 FCADLP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418809399 489733827 /nfs/dbraw/zinc/73/38/27/489733827.db2.gz SOQOIONBYWGURK-ZDUSSCGKSA-N 2 2 356.829 0.635 20 0 FCADLP CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000459564068 489739156 /nfs/dbraw/zinc/73/91/56/489739156.db2.gz QYHAREOOZWGOGY-UHFFFAOYSA-N 2 2 362.474 0.962 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824199 489740033 /nfs/dbraw/zinc/74/00/33/489740033.db2.gz CWZPMBFPAKEQEK-KRWDZBQOSA-N 2 2 362.474 0.072 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824199 489740038 /nfs/dbraw/zinc/74/00/38/489740038.db2.gz CWZPMBFPAKEQEK-KRWDZBQOSA-N 2 2 362.474 0.072 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000418828490 489742572 /nfs/dbraw/zinc/74/25/72/489742572.db2.gz FNBIKSZYNJDWIL-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418833329 489745856 /nfs/dbraw/zinc/74/58/56/489745856.db2.gz NDOFQUZYJFCMEB-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418833329 489745857 /nfs/dbraw/zinc/74/58/57/489745857.db2.gz NDOFQUZYJFCMEB-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+](C)C ZINC000418833228 489745866 /nfs/dbraw/zinc/74/58/66/489745866.db2.gz HVWMAGWIZPYCPH-UXLLHSPISA-N 2 2 374.485 0.767 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000430560059 489746263 /nfs/dbraw/zinc/74/62/63/489746263.db2.gz YQZDVSORGZICEF-OCCSQVGLSA-N 2 2 352.460 0.489 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000430560059 489746267 /nfs/dbraw/zinc/74/62/67/489746267.db2.gz YQZDVSORGZICEF-OCCSQVGLSA-N 2 2 352.460 0.489 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430560962 489746323 /nfs/dbraw/zinc/74/63/23/489746323.db2.gz JGNDCBUAZROKAG-KZULUSFZSA-N 2 2 350.438 0.836 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418835532 489746964 /nfs/dbraw/zinc/74/69/64/489746964.db2.gz PWYJLPXFYXVHIV-ZWKOTPCHSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418835532 489746969 /nfs/dbraw/zinc/74/69/69/489746969.db2.gz PWYJLPXFYXVHIV-ZWKOTPCHSA-N 2 2 374.485 0.119 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430576256 489748269 /nfs/dbraw/zinc/74/82/69/489748269.db2.gz SBBBIPLLSZDBCO-SFHVURJKSA-N 2 2 350.463 0.867 20 0 FCADLP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000563904489 491276603 /nfs/dbraw/zinc/27/66/03/491276603.db2.gz BAPHKIRMWWWOCR-QGZVFWFLSA-N 2 2 374.485 0.867 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000474298216 489751725 /nfs/dbraw/zinc/75/17/25/489751725.db2.gz HOSHUCLRXNTPIJ-HNNXBMFYSA-N 2 2 370.497 0.800 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430607422 489751904 /nfs/dbraw/zinc/75/19/04/489751904.db2.gz CFJYVBMKMZVGPZ-UHFFFAOYSA-N 2 2 362.474 0.454 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430607422 489751908 /nfs/dbraw/zinc/75/19/08/489751908.db2.gz CFJYVBMKMZVGPZ-UHFFFAOYSA-N 2 2 362.474 0.454 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000418842364 489752193 /nfs/dbraw/zinc/75/21/93/489752193.db2.gz ZVWUJWCTHZTNFR-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000418842364 489752197 /nfs/dbraw/zinc/75/21/97/489752197.db2.gz ZVWUJWCTHZTNFR-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430614194 489753828 /nfs/dbraw/zinc/75/38/28/489753828.db2.gz YQSFYIYMRPZNLH-UHFFFAOYSA-N 2 2 350.438 0.538 20 0 FCADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430614194 489753829 /nfs/dbraw/zinc/75/38/29/489753829.db2.gz YQSFYIYMRPZNLH-UHFFFAOYSA-N 2 2 350.438 0.538 20 0 FCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612883 489753988 /nfs/dbraw/zinc/75/39/88/489753988.db2.gz UOWQEHIIWQVMPH-CVEARBPZSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612883 489753990 /nfs/dbraw/zinc/75/39/90/489753990.db2.gz UOWQEHIIWQVMPH-CVEARBPZSA-N 2 2 354.495 0.062 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615724 489755225 /nfs/dbraw/zinc/75/52/25/489755225.db2.gz CZYNAIZNJONWJB-IUODEOHRSA-N 2 2 366.412 0.857 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000430615724 489755231 /nfs/dbraw/zinc/75/52/31/489755231.db2.gz CZYNAIZNJONWJB-IUODEOHRSA-N 2 2 366.412 0.857 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1Cl ZINC000418850156 489755275 /nfs/dbraw/zinc/75/52/75/489755275.db2.gz DQRXKCPOIVKLGI-DVOMOZLQSA-N 2 2 364.877 0.737 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000459817207 489757162 /nfs/dbraw/zinc/75/71/62/489757162.db2.gz OYTHJMUQKBOZBG-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430631302 489758697 /nfs/dbraw/zinc/75/86/97/489758697.db2.gz ULHBJXMTPMDDAF-MRXNPFEDSA-N 2 2 362.474 0.242 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430631302 489758702 /nfs/dbraw/zinc/75/87/02/489758702.db2.gz ULHBJXMTPMDDAF-MRXNPFEDSA-N 2 2 362.474 0.242 20 0 FCADLP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632378 489758864 /nfs/dbraw/zinc/75/88/64/489758864.db2.gz XFQBLZULVSJFDS-AWEZNQCLSA-N 2 2 362.499 0.877 20 0 FCADLP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632378 489758867 /nfs/dbraw/zinc/75/88/67/489758867.db2.gz XFQBLZULVSJFDS-AWEZNQCLSA-N 2 2 362.499 0.877 20 0 FCADLP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638932 489760140 /nfs/dbraw/zinc/76/01/40/489760140.db2.gz GQMWRHJRDQRFTA-KGLIPLIRSA-N 2 2 351.451 0.811 20 0 FCADLP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430638932 489760145 /nfs/dbraw/zinc/76/01/45/489760145.db2.gz GQMWRHJRDQRFTA-KGLIPLIRSA-N 2 2 351.451 0.811 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000570972972 491277224 /nfs/dbraw/zinc/27/72/24/491277224.db2.gz VGOBNZDGMYVOFV-INIZCTEOSA-N 2 2 366.506 0.322 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000570972972 491277225 /nfs/dbraw/zinc/27/72/25/491277225.db2.gz VGOBNZDGMYVOFV-INIZCTEOSA-N 2 2 366.506 0.322 20 0 FCADLP C[N@H+](CC(=O)NCCOc1cccc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430648485 489761656 /nfs/dbraw/zinc/76/16/56/489761656.db2.gz RCKRJWVPZFDRNE-UHFFFAOYSA-N 2 2 368.865 0.199 20 0 FCADLP C[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430648485 489761663 /nfs/dbraw/zinc/76/16/63/489761663.db2.gz RCKRJWVPZFDRNE-UHFFFAOYSA-N 2 2 368.865 0.199 20 0 FCADLP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000459836345 489763364 /nfs/dbraw/zinc/76/33/64/489763364.db2.gz RGDVTQIHNDRLPY-UHFFFAOYSA-N 2 2 359.474 0.530 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000430727529 489767902 /nfs/dbraw/zinc/76/79/02/489767902.db2.gz YCDAVBMOYWQEQR-MRXNPFEDSA-N 2 2 350.438 0.683 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459854128 489769393 /nfs/dbraw/zinc/76/93/93/489769393.db2.gz HHMQQIPDVZSOPA-UHFFFAOYSA-N 2 2 370.497 0.946 20 0 FCADLP CCN1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474581031 489770970 /nfs/dbraw/zinc/77/09/70/489770970.db2.gz MPAYIHQONNYDIN-LSDHHAIUSA-N 2 2 350.467 0.519 20 0 FCADLP CCN1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474581031 489770973 /nfs/dbraw/zinc/77/09/73/489770973.db2.gz MPAYIHQONNYDIN-LSDHHAIUSA-N 2 2 350.467 0.519 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NCC[NH+]2CCC2)CCC(=O)N1C1CC1 ZINC000563927697 491277725 /nfs/dbraw/zinc/27/77/25/491277725.db2.gz ULBYMVAORUIUFD-RHSMWYFYSA-N 2 2 360.462 0.620 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1cccs1 ZINC000430808290 489772147 /nfs/dbraw/zinc/77/21/47/489772147.db2.gz APGOFROQDPFLPT-DYVFJYSZSA-N 2 2 350.488 0.679 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1cccs1 ZINC000430808290 489772152 /nfs/dbraw/zinc/77/21/52/489772152.db2.gz APGOFROQDPFLPT-DYVFJYSZSA-N 2 2 350.488 0.679 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418888116 489776259 /nfs/dbraw/zinc/77/62/59/489776259.db2.gz BRVHNPPZXXODNI-MSOLQXFVSA-N 2 2 367.453 0.901 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418889066 489777066 /nfs/dbraw/zinc/77/70/66/489777066.db2.gz PICNHJUGMXMXCZ-HZPDHXFCSA-N 2 2 369.469 0.919 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430926077 489777786 /nfs/dbraw/zinc/77/77/86/489777786.db2.gz NDKQWXLELWBYII-KRWDZBQOSA-N 2 2 374.485 0.317 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430926077 489777789 /nfs/dbraw/zinc/77/77/89/489777789.db2.gz NDKQWXLELWBYII-KRWDZBQOSA-N 2 2 374.485 0.317 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418892301 489777967 /nfs/dbraw/zinc/77/79/67/489777967.db2.gz FONNCHATURKHPV-UHFFFAOYSA-N 2 2 355.442 0.943 20 0 FCADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000430934774 489779419 /nfs/dbraw/zinc/77/94/19/489779419.db2.gz NSXOSVZJQNOUQW-JTQLQIEISA-N 2 2 374.894 0.985 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H](C)[NH2+]1 ZINC000430949399 489781052 /nfs/dbraw/zinc/78/10/52/489781052.db2.gz CSJVHLXLPNNUAN-CALCHBBNSA-N 2 2 372.513 0.948 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000430964187 489782394 /nfs/dbraw/zinc/78/23/94/489782394.db2.gz CWUDISTUJQNFFQ-CALCHBBNSA-N 2 2 360.502 0.817 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430972369 489783033 /nfs/dbraw/zinc/78/30/33/489783033.db2.gz RZQGHRJRHPTQHH-CYBMUJFWSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430972369 489783035 /nfs/dbraw/zinc/78/30/35/489783035.db2.gz RZQGHRJRHPTQHH-CYBMUJFWSA-N 2 2 351.447 0.870 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000431011886 489784452 /nfs/dbraw/zinc/78/44/52/489784452.db2.gz CLUSFRAFAQAGFW-CABCVRRESA-N 2 2 357.520 0.486 20 0 FCADLP COCC[C@@]1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[NH2+]C1 ZINC000431051460 489786692 /nfs/dbraw/zinc/78/66/92/489786692.db2.gz PDDHPTCEKOYJNU-IBGZPJMESA-N 3 2 352.523 0.677 20 0 FCADLP COCC[C@]1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[NH2+]C1 ZINC000431051463 489787100 /nfs/dbraw/zinc/78/71/00/489787100.db2.gz PDDHPTCEKOYJNU-LJQANCHMSA-N 3 2 352.523 0.677 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H](C)[NH2+]1 ZINC000418932731 489795043 /nfs/dbraw/zinc/79/50/43/489795043.db2.gz ADZLMLCBMQAJHF-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H](C)[NH2+]1 ZINC000418932731 489795045 /nfs/dbraw/zinc/79/50/45/489795045.db2.gz ADZLMLCBMQAJHF-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418936438 489795998 /nfs/dbraw/zinc/79/59/98/489795998.db2.gz DXLCKDMXZJTFJM-AWEZNQCLSA-N 2 2 350.488 0.433 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418936438 489796001 /nfs/dbraw/zinc/79/60/01/489796001.db2.gz DXLCKDMXZJTFJM-AWEZNQCLSA-N 2 2 350.488 0.433 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418936589 489796659 /nfs/dbraw/zinc/79/66/59/489796659.db2.gz FGOFVRGMEAEJMY-JSGCOSHPSA-N 2 2 350.488 0.466 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418936589 489796662 /nfs/dbraw/zinc/79/66/62/489796662.db2.gz FGOFVRGMEAEJMY-JSGCOSHPSA-N 2 2 350.488 0.466 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418942842 489797944 /nfs/dbraw/zinc/79/79/44/489797944.db2.gz MATJSXLEUDFZRG-ZFWWWQNUSA-N 2 2 364.515 0.856 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418942842 489797948 /nfs/dbraw/zinc/79/79/48/489797948.db2.gz MATJSXLEUDFZRG-ZFWWWQNUSA-N 2 2 364.515 0.856 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)[C@H]1CCSC1 ZINC000459931455 489798259 /nfs/dbraw/zinc/79/82/59/489798259.db2.gz BYJRXETWTGSNBA-HNNXBMFYSA-N 2 2 356.536 0.435 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)[C@H]1CCSC1 ZINC000459931455 489798263 /nfs/dbraw/zinc/79/82/63/489798263.db2.gz BYJRXETWTGSNBA-HNNXBMFYSA-N 2 2 356.536 0.435 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459938306 489800394 /nfs/dbraw/zinc/80/03/94/489800394.db2.gz VGSWHHHHXHZRMX-UHFFFAOYSA-N 2 2 359.474 0.508 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000475041530 489803641 /nfs/dbraw/zinc/80/36/41/489803641.db2.gz ZVTKCFMJXJONCX-LJQANCHMSA-N 3 2 362.518 0.794 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000475041530 489803645 /nfs/dbraw/zinc/80/36/45/489803645.db2.gz ZVTKCFMJXJONCX-LJQANCHMSA-N 3 2 362.518 0.794 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459992663 489810025 /nfs/dbraw/zinc/81/00/25/489810025.db2.gz QQGYHCVNOSMPSM-UHFFFAOYSA-N 2 2 358.552 0.682 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459992663 489810027 /nfs/dbraw/zinc/81/00/27/489810027.db2.gz QQGYHCVNOSMPSM-UHFFFAOYSA-N 2 2 358.552 0.682 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000459991480 489810575 /nfs/dbraw/zinc/81/05/75/489810575.db2.gz OOOJFZPGFYRCOP-RDJZCZTQSA-N 2 2 359.474 0.847 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419001245 489814560 /nfs/dbraw/zinc/81/45/60/489814560.db2.gz SILLRAKOBYNEGW-HIFRSBDPSA-N 2 2 357.458 0.904 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419001244 489814604 /nfs/dbraw/zinc/81/46/04/489814604.db2.gz SILLRAKOBYNEGW-DZGCQCFKSA-N 2 2 357.458 0.904 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000376919371 489818112 /nfs/dbraw/zinc/81/81/12/489818112.db2.gz OAZCDYVFWAGLRF-AEFFLSMTSA-N 2 2 367.538 0.517 20 0 FCADLP O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492143190 489819182 /nfs/dbraw/zinc/81/91/82/489819182.db2.gz LSUMTTKPXCOZGP-HNNXBMFYSA-N 2 2 360.418 0.141 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@@H]1[NH3+] ZINC000419016905 489819307 /nfs/dbraw/zinc/81/93/07/489819307.db2.gz AHTKUHIORPEGQQ-DOMZBBRYSA-N 2 2 359.405 0.823 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000475397610 489823745 /nfs/dbraw/zinc/82/37/45/489823745.db2.gz WZKQVMHPQULFNX-LSDHHAIUSA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000475397610 489823751 /nfs/dbraw/zinc/82/37/51/489823751.db2.gz WZKQVMHPQULFNX-LSDHHAIUSA-N 2 2 355.479 0.344 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419030247 489825809 /nfs/dbraw/zinc/82/58/09/489825809.db2.gz STPFSOBZBZPCRW-UHFFFAOYSA-N 2 2 355.320 0.338 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419069118 489843637 /nfs/dbraw/zinc/84/36/37/489843637.db2.gz FVRQHGUZKKEGIC-HNNXBMFYSA-N 2 2 361.421 0.881 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377056059 489844446 /nfs/dbraw/zinc/84/44/46/489844446.db2.gz JEGZFMKBXFXSFS-IAGOWNOFSA-N 2 2 360.506 0.775 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419073745 489846729 /nfs/dbraw/zinc/84/67/29/489846729.db2.gz LFJCYKNVRMOQTO-OAHLLOKOSA-N 2 2 361.421 0.881 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000419081620 489849493 /nfs/dbraw/zinc/84/94/93/489849493.db2.gz OLWLLOTWASGHHL-CABCVRRESA-N 2 2 359.405 0.715 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000377094596 489850829 /nfs/dbraw/zinc/85/08/29/489850829.db2.gz ORGYUAYLZPSZIF-DOTOQJQBSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000377094596 489850832 /nfs/dbraw/zinc/85/08/32/489850832.db2.gz ORGYUAYLZPSZIF-DOTOQJQBSA-N 2 2 367.490 0.726 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)C[C@H]21 ZINC000419106140 489856942 /nfs/dbraw/zinc/85/69/42/489856942.db2.gz COBDKMJOXSVLRY-FVQBIDKESA-N 2 2 355.442 0.579 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493871696 489859658 /nfs/dbraw/zinc/85/96/58/489859658.db2.gz IQWCBAQAHFRLHU-IRXDYDNUSA-N 2 2 354.495 0.242 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493871696 489859663 /nfs/dbraw/zinc/85/96/63/489859663.db2.gz IQWCBAQAHFRLHU-IRXDYDNUSA-N 2 2 354.495 0.242 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419115539 489861262 /nfs/dbraw/zinc/86/12/62/489861262.db2.gz JTYVBHXIUWEAJT-SJORKVTESA-N 2 2 370.538 0.681 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1C[NH3+] ZINC000419114984 489861630 /nfs/dbraw/zinc/86/16/30/489861630.db2.gz IPDGRRLNBXUQNY-HOCLYGCPSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000419119310 489864592 /nfs/dbraw/zinc/86/45/92/489864592.db2.gz OURXMHCXAMRVHM-OAHLLOKOSA-N 2 2 356.511 0.293 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119806 489864678 /nfs/dbraw/zinc/86/46/78/489864678.db2.gz PGCHLHUHGVKCKJ-BBWFWOEESA-N 2 2 368.522 0.435 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@H]1[NH3+] ZINC000419124501 489868352 /nfs/dbraw/zinc/86/83/52/489868352.db2.gz XKLOELRVPVUQEU-GDBMZVCRSA-N 2 2 359.474 0.884 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000433163007 489870043 /nfs/dbraw/zinc/87/00/43/489870043.db2.gz WRZHDVNNNGWPCO-GOSISDBHSA-N 3 2 352.523 0.903 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419981056 489872171 /nfs/dbraw/zinc/87/21/71/489872171.db2.gz RRPZXZDCSHQOLC-UONOGXRCSA-N 2 2 363.462 0.227 20 0 FCADLP CNC(=O)NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377268767 489877640 /nfs/dbraw/zinc/87/76/40/489877640.db2.gz UYCMYGHVKSXBFI-UHFFFAOYSA-N 3 2 353.511 0.570 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377268767 489877644 /nfs/dbraw/zinc/87/76/44/489877644.db2.gz UYCMYGHVKSXBFI-UHFFFAOYSA-N 3 2 353.511 0.570 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000476460644 489891039 /nfs/dbraw/zinc/89/10/39/489891039.db2.gz PRFBDSPZQMFEBV-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000420060192 489897877 /nfs/dbraw/zinc/89/78/77/489897877.db2.gz POAJYZWQTTWXNF-GJZGRUSLSA-N 2 2 362.478 0.249 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(CC)CC2)CCO1 ZINC000494656108 489902535 /nfs/dbraw/zinc/90/25/35/489902535.db2.gz NCDXGBDTSACVLA-SFHVURJKSA-N 2 2 369.554 0.814 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(CC)CC2)CCO1 ZINC000494656108 489902539 /nfs/dbraw/zinc/90/25/39/489902539.db2.gz NCDXGBDTSACVLA-SFHVURJKSA-N 2 2 369.554 0.814 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCCN2CC[NH+](CC)CC2)CCO1 ZINC000494656108 489902544 /nfs/dbraw/zinc/90/25/44/489902544.db2.gz NCDXGBDTSACVLA-SFHVURJKSA-N 2 2 369.554 0.814 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCCN2CC[NH+](CC)CC2)CCO1 ZINC000494656108 489902545 /nfs/dbraw/zinc/90/25/45/489902545.db2.gz NCDXGBDTSACVLA-SFHVURJKSA-N 2 2 369.554 0.814 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420091228 489908190 /nfs/dbraw/zinc/90/81/90/489908190.db2.gz MRMHXZXBQOANGK-GOSISDBHSA-N 2 2 366.421 0.981 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420089060 489908490 /nfs/dbraw/zinc/90/84/90/489908490.db2.gz IYUPPJJIPATVJI-UHFFFAOYSA-N 2 2 355.442 0.887 20 0 FCADLP CC(C)[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000433987269 489908593 /nfs/dbraw/zinc/90/85/93/489908593.db2.gz CUDUZPBDCXFXON-IAGOWNOFSA-N 2 2 356.511 0.705 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000433996169 489909658 /nfs/dbraw/zinc/90/96/58/489909658.db2.gz YHUUSMVKRXXWJK-IAGOWNOFSA-N 2 2 356.511 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000433996169 489909662 /nfs/dbraw/zinc/90/96/62/489909662.db2.gz YHUUSMVKRXXWJK-IAGOWNOFSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420107691 489914907 /nfs/dbraw/zinc/91/49/07/489914907.db2.gz SYBUFOPPVVHJRW-OXQOHEQNSA-N 2 2 373.501 0.793 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000420130013 489922782 /nfs/dbraw/zinc/92/27/82/489922782.db2.gz VQNWMUONXXISEA-KGLIPLIRSA-N 2 2 350.467 0.249 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000420131796 489924144 /nfs/dbraw/zinc/92/41/44/489924144.db2.gz XNFFQKARXVOBPK-CABCVRRESA-N 2 2 362.478 0.143 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000420131796 489924147 /nfs/dbraw/zinc/92/41/47/489924147.db2.gz XNFFQKARXVOBPK-CABCVRRESA-N 2 2 362.478 0.143 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420137697 489926543 /nfs/dbraw/zinc/92/65/43/489926543.db2.gz LYBNQWOXIXYVRY-UHFFFAOYSA-N 2 2 372.469 0.375 20 0 FCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420143320 489928274 /nfs/dbraw/zinc/92/82/74/489928274.db2.gz XAUFFURDDOSZLG-UHFFFAOYSA-N 2 2 372.469 0.246 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000420145603 489930203 /nfs/dbraw/zinc/93/02/03/489930203.db2.gz PJALHYYUVNGTKW-SJLPKXTDSA-N 2 2 358.486 0.753 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000420148353 489931525 /nfs/dbraw/zinc/93/15/25/489931525.db2.gz UIPRGTGLZPPJSP-AEFFLSMTSA-N 2 2 374.485 0.324 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000477034355 489934444 /nfs/dbraw/zinc/93/44/44/489934444.db2.gz OZSVPKQYSVCGPL-MRXNPFEDSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154875 489934492 /nfs/dbraw/zinc/93/44/92/489934492.db2.gz SRLDCMHIQUJEMO-NSHDSACASA-N 2 2 360.430 0.664 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420184618 489944543 /nfs/dbraw/zinc/94/45/43/489944543.db2.gz AVWRFYZTQLYMPG-FUHWJXTLSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CCO)C2CCOCC2)CC1 ZINC000461938791 489945717 /nfs/dbraw/zinc/94/57/17/489945717.db2.gz UQDBUBFTJKPGMO-QGZVFWFLSA-N 2 2 356.511 0.489 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420192784 489947844 /nfs/dbraw/zinc/94/78/44/489947844.db2.gz IBWCKLKQULNMEP-DZGCQCFKSA-N 2 2 366.487 0.058 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000461991472 489948777 /nfs/dbraw/zinc/94/87/77/489948777.db2.gz DLWNWGKUBNFBSP-KRWDZBQOSA-N 2 2 372.473 0.508 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000420209989 489952942 /nfs/dbraw/zinc/95/29/42/489952942.db2.gz RVAFVVKDXPZBHZ-SJORKVTESA-N 2 2 374.485 0.453 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000571179792 491290733 /nfs/dbraw/zinc/29/07/33/491290733.db2.gz BFHSBQOAUVJZML-GJZGRUSLSA-N 2 2 350.467 0.854 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)CC2 ZINC000462069474 489955314 /nfs/dbraw/zinc/95/53/14/489955314.db2.gz HOMQITGNRSROPZ-AWEZNQCLSA-N 2 2 351.472 0.841 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]1CSC[NH2+]1)CC2 ZINC000462069474 489955318 /nfs/dbraw/zinc/95/53/18/489955318.db2.gz HOMQITGNRSROPZ-AWEZNQCLSA-N 2 2 351.472 0.841 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420217318 489955541 /nfs/dbraw/zinc/95/55/41/489955541.db2.gz XNAMFIDLZBSFAT-KBAYOESNSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420217318 489955545 /nfs/dbraw/zinc/95/55/45/489955545.db2.gz XNAMFIDLZBSFAT-KBAYOESNSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571183951 491291033 /nfs/dbraw/zinc/29/10/33/491291033.db2.gz KNFVWWHZJBLCRL-CQSZACIVSA-N 2 2 365.503 0.568 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)nc2)CC1 ZINC000420237976 489956784 /nfs/dbraw/zinc/95/67/84/489956784.db2.gz MVSQYJGXSDQMFA-KBPBESRZSA-N 2 2 353.492 0.700 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377777211 489957070 /nfs/dbraw/zinc/95/70/70/489957070.db2.gz DIUFVLGEYQZEPH-IRXDYDNUSA-N 2 2 359.474 0.183 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377777211 489957075 /nfs/dbraw/zinc/95/70/75/489957075.db2.gz DIUFVLGEYQZEPH-IRXDYDNUSA-N 2 2 359.474 0.183 20 0 FCADLP Cc1c(-c2cc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)on2)cnn1C ZINC000420315656 489962506 /nfs/dbraw/zinc/96/25/06/489962506.db2.gz XBXCCIJEVONXHA-CQSZACIVSA-N 2 2 358.446 0.780 20 0 FCADLP Cc1c(-c2cc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)on2)cnn1C ZINC000420315656 489962508 /nfs/dbraw/zinc/96/25/08/489962508.db2.gz XBXCCIJEVONXHA-CQSZACIVSA-N 2 2 358.446 0.780 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c(=O)[nH]c1=O ZINC000420313898 489962784 /nfs/dbraw/zinc/96/27/84/489962784.db2.gz QEVSSTFKUQMJSW-GFCCVEGCSA-N 2 2 351.451 0.588 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)c(=O)[nH]c1=O ZINC000420313898 489962787 /nfs/dbraw/zinc/96/27/87/489962787.db2.gz QEVSSTFKUQMJSW-GFCCVEGCSA-N 2 2 351.451 0.588 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420316531 489962999 /nfs/dbraw/zinc/96/29/99/489962999.db2.gz SXIXAIOTLHDUFW-ZDUSSCGKSA-N 2 2 351.451 0.999 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420316531 489963000 /nfs/dbraw/zinc/96/30/00/489963000.db2.gz SXIXAIOTLHDUFW-ZDUSSCGKSA-N 2 2 351.451 0.999 20 0 FCADLP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000420351984 489966625 /nfs/dbraw/zinc/96/66/25/489966625.db2.gz LLBFLBCREPRVJB-XJKSGUPXSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000420351984 489966628 /nfs/dbraw/zinc/96/66/28/489966628.db2.gz LLBFLBCREPRVJB-XJKSGUPXSA-N 2 2 351.447 0.619 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000420356561 489967212 /nfs/dbraw/zinc/96/72/12/489967212.db2.gz CTNRNPFHLBXHQD-RLFDGXBXSA-N 2 2 354.401 0.996 20 0 FCADLP COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420383154 489969768 /nfs/dbraw/zinc/96/97/68/489969768.db2.gz FERDZYCGJIGEBT-ZBFHGGJFSA-N 2 2 365.474 0.801 20 0 FCADLP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1OC ZINC000420383154 489969770 /nfs/dbraw/zinc/96/97/70/489969770.db2.gz FERDZYCGJIGEBT-ZBFHGGJFSA-N 2 2 365.474 0.801 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420380296 489969800 /nfs/dbraw/zinc/96/98/00/489969800.db2.gz NSCIZECVVGMQCK-AWEZNQCLSA-N 2 2 374.445 0.988 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000420380296 489969802 /nfs/dbraw/zinc/96/98/02/489969802.db2.gz NSCIZECVVGMQCK-AWEZNQCLSA-N 2 2 374.445 0.988 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385162 489969871 /nfs/dbraw/zinc/96/98/71/489969871.db2.gz UOSGYGPHQCKFGM-LPHOPBHVSA-N 2 2 358.490 0.589 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385162 489969874 /nfs/dbraw/zinc/96/98/74/489969874.db2.gz UOSGYGPHQCKFGM-LPHOPBHVSA-N 2 2 358.490 0.589 20 0 FCADLP [NH3+]C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCO1 ZINC000420389016 489970537 /nfs/dbraw/zinc/97/05/37/489970537.db2.gz LUXYDDAIHPSHCS-HNNXBMFYSA-N 2 2 352.504 0.442 20 0 FCADLP C[N@H+](CC[NH3+])CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000420388631 489970825 /nfs/dbraw/zinc/97/08/25/489970825.db2.gz XEHINDUQXYQYGI-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP C[N@@H+](CC[NH3+])CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000420388631 489970829 /nfs/dbraw/zinc/97/08/29/489970829.db2.gz XEHINDUQXYQYGI-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000420410614 489972623 /nfs/dbraw/zinc/97/26/23/489972623.db2.gz YDMTUKDFXLXEGV-IAGOWNOFSA-N 2 2 360.502 0.817 20 0 FCADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000420410615 489972645 /nfs/dbraw/zinc/97/26/45/489972645.db2.gz YDMTUKDFXLXEGV-IRXDYDNUSA-N 2 2 360.502 0.817 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462405258 489973706 /nfs/dbraw/zinc/97/37/06/489973706.db2.gz CKLDQWKKALCZEE-GOSISDBHSA-N 2 2 364.515 0.898 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462405258 489973709 /nfs/dbraw/zinc/97/37/09/489973709.db2.gz CKLDQWKKALCZEE-GOSISDBHSA-N 2 2 364.515 0.898 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000462786112 489992191 /nfs/dbraw/zinc/99/21/91/489992191.db2.gz UUCLGRRRMJFQHL-QGZVFWFLSA-N 3 2 354.539 0.877 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378001945 489994422 /nfs/dbraw/zinc/99/44/22/489994422.db2.gz KVJWVJPLBPZWCC-OAHLLOKOSA-N 3 2 367.538 0.959 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCCOCC3)CC2)CC1 ZINC000463081816 490001140 /nfs/dbraw/zinc/00/11/40/490001140.db2.gz GLFXKCFFTQQKHU-UHFFFAOYSA-N 2 2 352.523 0.585 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CCN(CC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000463081816 490001143 /nfs/dbraw/zinc/00/11/43/490001143.db2.gz GLFXKCFFTQQKHU-UHFFFAOYSA-N 2 2 352.523 0.585 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CCN(CC[N@H+]3CCCOCC3)CC2)CC1 ZINC000463081816 490001146 /nfs/dbraw/zinc/00/11/46/490001146.db2.gz GLFXKCFFTQQKHU-UHFFFAOYSA-N 2 2 352.523 0.585 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[NH+]2CCN1CCC2 ZINC000478067477 490003747 /nfs/dbraw/zinc/00/37/47/490003747.db2.gz ZIZPWHZGXPCQBA-RBUKOAKNSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000478067477 490003749 /nfs/dbraw/zinc/00/37/49/490003749.db2.gz ZIZPWHZGXPCQBA-RBUKOAKNSA-N 2 2 358.486 0.394 20 0 FCADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000478067477 490003755 /nfs/dbraw/zinc/00/37/55/490003755.db2.gz ZIZPWHZGXPCQBA-RBUKOAKNSA-N 2 2 358.486 0.394 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478184445 490008897 /nfs/dbraw/zinc/00/88/97/490008897.db2.gz VIVDLACMQBMPGW-IAGOWNOFSA-N 2 2 356.511 0.441 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478199504 490009176 /nfs/dbraw/zinc/00/91/76/490009176.db2.gz RNQYGJTWQWWLIP-SJLPKXTDSA-N 2 2 370.538 0.831 20 0 FCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099236 490019013 /nfs/dbraw/zinc/01/90/13/490019013.db2.gz UCZKMQJTPAKZOC-YPMHNXCESA-N 2 2 372.457 0.777 20 0 FCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437099236 490019016 /nfs/dbraw/zinc/01/90/16/490019016.db2.gz UCZKMQJTPAKZOC-YPMHNXCESA-N 2 2 372.457 0.777 20 0 FCADLP Cc1cccc2ncc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n21 ZINC000378200408 490028058 /nfs/dbraw/zinc/02/80/58/490028058.db2.gz GEJUCZRUXAPCNZ-INIZCTEOSA-N 2 2 357.458 0.665 20 0 FCADLP [NH3+]C1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)Cc2ccccc2C1 ZINC000378206239 490028938 /nfs/dbraw/zinc/02/89/38/490028938.db2.gz ATZNOILPVVISJN-SFHVURJKSA-N 2 2 361.511 0.807 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463859915 490031102 /nfs/dbraw/zinc/03/11/02/490031102.db2.gz XCHSNWFMMWXIFH-QGZVFWFLSA-N 2 2 361.552 0.996 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463859915 490031104 /nfs/dbraw/zinc/03/11/04/490031104.db2.gz XCHSNWFMMWXIFH-QGZVFWFLSA-N 2 2 361.552 0.996 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1S(C)(=O)=O ZINC000420938628 490033552 /nfs/dbraw/zinc/03/35/52/490033552.db2.gz MQVXNZKVAYHVMM-INIZCTEOSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1S(C)(=O)=O ZINC000420938628 490033556 /nfs/dbraw/zinc/03/35/56/490033556.db2.gz MQVXNZKVAYHVMM-INIZCTEOSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000421134121 490048478 /nfs/dbraw/zinc/04/84/78/490048478.db2.gz XCLSYBXILRPXSX-OAGGEKHMSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000421134121 490048482 /nfs/dbraw/zinc/04/84/82/490048482.db2.gz XCLSYBXILRPXSX-OAGGEKHMSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H](C)[N@H+]1CCO ZINC000378345438 490052617 /nfs/dbraw/zinc/05/26/17/490052617.db2.gz KKHQBWFUWVHENC-OKILXGFUSA-N 2 2 360.458 0.484 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H](C)[N@@H+]1CCO ZINC000378345438 490052620 /nfs/dbraw/zinc/05/26/20/490052620.db2.gz KKHQBWFUWVHENC-OKILXGFUSA-N 2 2 360.458 0.484 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@H](C)[NH+]1CCO ZINC000378345438 490052623 /nfs/dbraw/zinc/05/26/23/490052623.db2.gz KKHQBWFUWVHENC-OKILXGFUSA-N 2 2 360.458 0.484 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@H](C)[NH+]1CCO ZINC000378345438 490052625 /nfs/dbraw/zinc/05/26/25/490052625.db2.gz KKHQBWFUWVHENC-OKILXGFUSA-N 2 2 360.458 0.484 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000478913646 490053904 /nfs/dbraw/zinc/05/39/04/490053904.db2.gz ZMGGWCKBBNABOH-UHFFFAOYSA-N 2 2 364.515 0.775 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000478913646 490053910 /nfs/dbraw/zinc/05/39/10/490053910.db2.gz ZMGGWCKBBNABOH-UHFFFAOYSA-N 2 2 364.515 0.775 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478913646 490053914 /nfs/dbraw/zinc/05/39/14/490053914.db2.gz ZMGGWCKBBNABOH-UHFFFAOYSA-N 2 2 364.515 0.775 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478913646 490053919 /nfs/dbraw/zinc/05/39/19/490053919.db2.gz ZMGGWCKBBNABOH-UHFFFAOYSA-N 2 2 364.515 0.775 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000421208367 490057019 /nfs/dbraw/zinc/05/70/19/490057019.db2.gz XRFZEISWUPGHII-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000421208367 490057024 /nfs/dbraw/zinc/05/70/24/490057024.db2.gz XRFZEISWUPGHII-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228637 490060117 /nfs/dbraw/zinc/06/01/17/490060117.db2.gz RWEKCDZLHJOURQ-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000421228637 490060122 /nfs/dbraw/zinc/06/01/22/490060122.db2.gz RWEKCDZLHJOURQ-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP COCCOC[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000464730189 490064709 /nfs/dbraw/zinc/06/47/09/490064709.db2.gz KFWHLWBACWLKNX-INIZCTEOSA-N 2 2 357.495 0.198 20 0 FCADLP COCCOC[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000464730189 490064713 /nfs/dbraw/zinc/06/47/13/490064713.db2.gz KFWHLWBACWLKNX-INIZCTEOSA-N 2 2 357.495 0.198 20 0 FCADLP CCCCN(C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059292 490065813 /nfs/dbraw/zinc/06/58/13/490065813.db2.gz MHRHZQUVQGZMLK-HOTGVXAUSA-N 2 2 359.536 0.863 20 0 FCADLP CCCCN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059292 490065815 /nfs/dbraw/zinc/06/58/15/490065815.db2.gz MHRHZQUVQGZMLK-HOTGVXAUSA-N 2 2 359.536 0.863 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000479104000 490066497 /nfs/dbraw/zinc/06/64/97/490066497.db2.gz XEPHUDYGCGOAKZ-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000479104000 490066502 /nfs/dbraw/zinc/06/65/02/490066502.db2.gz XEPHUDYGCGOAKZ-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479104000 490066506 /nfs/dbraw/zinc/06/65/06/490066506.db2.gz XEPHUDYGCGOAKZ-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479104000 490066508 /nfs/dbraw/zinc/06/65/08/490066508.db2.gz XEPHUDYGCGOAKZ-ZFWWWQNUSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000479103995 490066979 /nfs/dbraw/zinc/06/69/79/490066979.db2.gz XEPHUDYGCGOAKZ-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000479103995 490066983 /nfs/dbraw/zinc/06/69/83/490066983.db2.gz XEPHUDYGCGOAKZ-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479103995 490066987 /nfs/dbraw/zinc/06/69/87/490066987.db2.gz XEPHUDYGCGOAKZ-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000479103995 490066990 /nfs/dbraw/zinc/06/69/90/490066990.db2.gz XEPHUDYGCGOAKZ-HIFRSBDPSA-N 2 2 364.515 0.821 20 0 FCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CC[NH+](CC(F)F)CC1 ZINC000519768515 490080439 /nfs/dbraw/zinc/08/04/39/490080439.db2.gz LZGVGTITOPUGFJ-LBPRGKRZSA-N 2 2 372.382 0.916 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000532654842 490090864 /nfs/dbraw/zinc/09/08/64/490090864.db2.gz SLPLYIGVKKQWOK-NJAFHUGGSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000532654842 490090865 /nfs/dbraw/zinc/09/08/65/490090865.db2.gz SLPLYIGVKKQWOK-NJAFHUGGSA-N 2 2 368.522 0.774 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000479650906 490112613 /nfs/dbraw/zinc/11/26/13/490112613.db2.gz VKDXUBZQOFSABG-QGZVFWFLSA-N 2 2 355.527 0.112 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000479650906 490112622 /nfs/dbraw/zinc/11/26/22/490112622.db2.gz VKDXUBZQOFSABG-QGZVFWFLSA-N 2 2 355.527 0.112 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000479670465 490114406 /nfs/dbraw/zinc/11/44/06/490114406.db2.gz CPIINDOHMIZWLV-ZWKOTPCHSA-N 2 2 369.554 0.501 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000479670465 490114415 /nfs/dbraw/zinc/11/44/15/490114415.db2.gz CPIINDOHMIZWLV-ZWKOTPCHSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000479670465 490114425 /nfs/dbraw/zinc/11/44/25/490114425.db2.gz CPIINDOHMIZWLV-ZWKOTPCHSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000479670465 490114432 /nfs/dbraw/zinc/11/44/32/490114432.db2.gz CPIINDOHMIZWLV-ZWKOTPCHSA-N 2 2 369.554 0.501 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000479774000 490122715 /nfs/dbraw/zinc/12/27/15/490122715.db2.gz KWFHDRSSCQHIFC-HDICACEKSA-N 2 2 356.470 0.576 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000479774000 490122724 /nfs/dbraw/zinc/12/27/24/490122724.db2.gz KWFHDRSSCQHIFC-HDICACEKSA-N 2 2 356.470 0.576 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479778858 490124866 /nfs/dbraw/zinc/12/48/66/490124866.db2.gz QVOKREQCPGBXNF-MCIONIFRSA-N 2 2 366.487 0.415 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479778858 490124870 /nfs/dbraw/zinc/12/48/70/490124870.db2.gz QVOKREQCPGBXNF-MCIONIFRSA-N 2 2 366.487 0.415 20 0 FCADLP C[C@]1(CO)CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000545398429 490129281 /nfs/dbraw/zinc/12/92/81/490129281.db2.gz NUWOIJZMSOKNNF-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@]1(CO)CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000545398429 490129284 /nfs/dbraw/zinc/12/92/84/490129284.db2.gz NUWOIJZMSOKNNF-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341687 491301591 /nfs/dbraw/zinc/30/15/91/491301591.db2.gz PSEWXEQTZZDNKE-PKOBYXMFSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341687 491301598 /nfs/dbraw/zinc/30/15/98/491301598.db2.gz PSEWXEQTZZDNKE-PKOBYXMFSA-N 2 2 350.459 0.742 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000571341687 491301599 /nfs/dbraw/zinc/30/15/99/491301599.db2.gz PSEWXEQTZZDNKE-PKOBYXMFSA-N 2 2 350.459 0.742 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520378337 490140975 /nfs/dbraw/zinc/14/09/75/490140975.db2.gz VMRJFJYHFGWIRA-KRWDZBQOSA-N 2 2 373.501 0.041 20 0 FCADLP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000465858722 490147359 /nfs/dbraw/zinc/14/73/59/490147359.db2.gz JJSUMHCDSVQPOU-IKGGRYGDSA-N 2 2 355.527 0.278 20 0 FCADLP COC[C@@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000446054954 490150328 /nfs/dbraw/zinc/15/03/28/490150328.db2.gz QMRICJJKXYPYCN-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422099794 490151412 /nfs/dbraw/zinc/15/14/12/490151412.db2.gz CTTLYFQPKIGEAY-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422099794 490151417 /nfs/dbraw/zinc/15/14/17/490151417.db2.gz CTTLYFQPKIGEAY-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422099794 490151423 /nfs/dbraw/zinc/15/14/23/490151423.db2.gz CTTLYFQPKIGEAY-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422099794 490151428 /nfs/dbraw/zinc/15/14/28/490151428.db2.gz CTTLYFQPKIGEAY-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000520583429 490165659 /nfs/dbraw/zinc/16/56/59/490165659.db2.gz QPILXDPFZOSGIG-GFCCVEGCSA-N 2 2 374.894 0.110 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000520583429 490165666 /nfs/dbraw/zinc/16/56/66/490165666.db2.gz QPILXDPFZOSGIG-GFCCVEGCSA-N 2 2 374.894 0.110 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556240667 491305257 /nfs/dbraw/zinc/30/52/57/491305257.db2.gz GACKHCYCVLNUIF-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556240667 491305258 /nfs/dbraw/zinc/30/52/58/491305258.db2.gz GACKHCYCVLNUIF-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000520812899 490193230 /nfs/dbraw/zinc/19/32/30/490193230.db2.gz IRXBHSCVGSTXTR-MELADBBJSA-N 2 2 363.462 0.369 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000497689797 490195233 /nfs/dbraw/zinc/19/52/33/490195233.db2.gz SPEQYLWWLPCLDO-HOTGVXAUSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000497689797 490195234 /nfs/dbraw/zinc/19/52/34/490195234.db2.gz SPEQYLWWLPCLDO-HOTGVXAUSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000497689797 490195239 /nfs/dbraw/zinc/19/52/39/490195239.db2.gz SPEQYLWWLPCLDO-HOTGVXAUSA-N 2 2 352.479 0.086 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000497689797 490195244 /nfs/dbraw/zinc/19/52/44/490195244.db2.gz SPEQYLWWLPCLDO-HOTGVXAUSA-N 2 2 352.479 0.086 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H](COC)OC)CC2)CC1 ZINC000422170215 490198094 /nfs/dbraw/zinc/19/80/94/490198094.db2.gz AXRXIHWCUJWMMK-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H](COC)OC)CC2)CC1 ZINC000422170215 490198101 /nfs/dbraw/zinc/19/81/01/490198101.db2.gz AXRXIHWCUJWMMK-KRWDZBQOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000571422769 491306819 /nfs/dbraw/zinc/30/68/19/491306819.db2.gz QFZNAAONURKFFO-KFWWJZLASA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000571422769 491306821 /nfs/dbraw/zinc/30/68/21/491306821.db2.gz QFZNAAONURKFFO-KFWWJZLASA-N 2 2 366.506 0.343 20 0 FCADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000480491873 490201345 /nfs/dbraw/zinc/20/13/45/490201345.db2.gz KWBHNBKIEZIQCT-IBGZPJMESA-N 2 2 358.442 0.994 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794648 490212683 /nfs/dbraw/zinc/21/26/83/490212683.db2.gz XIHQXZTWXMUNIN-JKIFEVAISA-N 2 2 363.506 0.463 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556297295 491308147 /nfs/dbraw/zinc/30/81/47/491308147.db2.gz AEJWXZVAOGLSPB-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556297295 491308148 /nfs/dbraw/zinc/30/81/48/491308148.db2.gz AEJWXZVAOGLSPB-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000521175801 490232328 /nfs/dbraw/zinc/23/23/28/490232328.db2.gz WPUMWBCUSROGIS-LJQANCHMSA-N 2 2 359.518 0.980 20 0 FCADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000521175801 490232329 /nfs/dbraw/zinc/23/23/29/490232329.db2.gz WPUMWBCUSROGIS-LJQANCHMSA-N 2 2 359.518 0.980 20 0 FCADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000521175801 490232332 /nfs/dbraw/zinc/23/23/32/490232332.db2.gz WPUMWBCUSROGIS-LJQANCHMSA-N 2 2 359.518 0.980 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201651 490235662 /nfs/dbraw/zinc/23/56/62/490235662.db2.gz NQGCWUWDMRCZMF-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521201651 490235665 /nfs/dbraw/zinc/23/56/65/490235665.db2.gz NQGCWUWDMRCZMF-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)COc1cccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000521228141 490238456 /nfs/dbraw/zinc/23/84/56/490238456.db2.gz MCFZRNFYHXQMRJ-UXLLHSPISA-N 2 2 366.458 0.798 20 0 FCADLP COC(=O)COc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000521228141 490238464 /nfs/dbraw/zinc/23/84/64/490238464.db2.gz MCFZRNFYHXQMRJ-UXLLHSPISA-N 2 2 366.458 0.798 20 0 FCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000571504452 491312095 /nfs/dbraw/zinc/31/20/95/491312095.db2.gz CMVMEZYGTAAJOV-KWOWKCNFSA-N 2 2 362.478 0.853 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813482 490286041 /nfs/dbraw/zinc/28/60/41/490286041.db2.gz NDSGOKQDFKIHKS-MRXNPFEDSA-N 2 2 361.494 0.334 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813482 490286047 /nfs/dbraw/zinc/28/60/47/490286047.db2.gz NDSGOKQDFKIHKS-MRXNPFEDSA-N 2 2 361.494 0.334 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498383963 490289994 /nfs/dbraw/zinc/28/99/94/490289994.db2.gz CODXFEKDGNRSRB-IAGOWNOFSA-N 2 2 361.490 0.429 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498383963 490290003 /nfs/dbraw/zinc/29/00/03/490290003.db2.gz CODXFEKDGNRSRB-IAGOWNOFSA-N 2 2 361.490 0.429 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447912532 490291056 /nfs/dbraw/zinc/29/10/56/490291056.db2.gz GWLAHYNJMCXHDG-MOPGFXCFSA-N 2 2 361.486 0.769 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000564578137 491314941 /nfs/dbraw/zinc/31/49/41/491314941.db2.gz VFGIKCHUEABJPL-HNNXBMFYSA-N 2 2 351.451 0.083 20 0 FCADLP CC(C)[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000498392778 490292187 /nfs/dbraw/zinc/29/21/87/490292187.db2.gz URSYQEHQROQEBX-INIZCTEOSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467489245 490298972 /nfs/dbraw/zinc/29/89/72/490298972.db2.gz DANHRAXXGJSLHM-ZMMAXQRCSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467489245 490298981 /nfs/dbraw/zinc/29/89/81/490298981.db2.gz DANHRAXXGJSLHM-ZMMAXQRCSA-N 2 2 371.522 0.320 20 0 FCADLP COCCn1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000508112432 490299164 /nfs/dbraw/zinc/29/91/64/490299164.db2.gz YDXNPADZTGDWKR-UHFFFAOYSA-N 2 2 366.510 0.697 20 0 FCADLP COCCn1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000508112432 490299166 /nfs/dbraw/zinc/29/91/66/490299166.db2.gz YDXNPADZTGDWKR-UHFFFAOYSA-N 2 2 366.510 0.697 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000467641637 490324370 /nfs/dbraw/zinc/32/43/70/490324370.db2.gz SNLITTIDCPJJBL-HNNXBMFYSA-N 2 2 370.519 0.974 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCCCC1 ZINC000467650592 490327269 /nfs/dbraw/zinc/32/72/69/490327269.db2.gz OGHVNGSUDOIXIK-CVEARBPZSA-N 2 2 359.536 0.828 20 0 FCADLP O=C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556517373 491318033 /nfs/dbraw/zinc/31/80/33/491318033.db2.gz BDQCSYSMYPDDJB-GHTZIAJQSA-N 2 2 370.497 0.978 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467688743 490330515 /nfs/dbraw/zinc/33/05/15/490330515.db2.gz NJJIUPDASOZNOJ-KRWWSPQJSA-N 2 2 367.515 0.125 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000422459239 490332940 /nfs/dbraw/zinc/33/29/40/490332940.db2.gz XWAOBCKORBRTIS-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000422459239 490332944 /nfs/dbraw/zinc/33/29/44/490332944.db2.gz XWAOBCKORBRTIS-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000522050286 490333600 /nfs/dbraw/zinc/33/36/00/490333600.db2.gz GDJBWBPOUZFKSD-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000522050286 490333607 /nfs/dbraw/zinc/33/36/07/490333607.db2.gz GDJBWBPOUZFKSD-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000467708694 490333856 /nfs/dbraw/zinc/33/38/56/490333856.db2.gz JWOMFNJGTNXRTQ-SFHVURJKSA-N 2 2 374.485 0.155 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659035 490338304 /nfs/dbraw/zinc/33/83/04/490338304.db2.gz OKFMNAJYSYDTPS-ARFHVFGLSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659035 490338307 /nfs/dbraw/zinc/33/83/07/490338307.db2.gz OKFMNAJYSYDTPS-ARFHVFGLSA-N 2 2 359.474 0.647 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000483803365 490345842 /nfs/dbraw/zinc/34/58/42/490345842.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 2 351.470 0.803 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000483803365 490345854 /nfs/dbraw/zinc/34/58/54/490345854.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 2 351.470 0.803 20 0 FCADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000483803365 490345862 /nfs/dbraw/zinc/34/58/62/490345862.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 2 351.470 0.803 20 0 FCADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000483803365 490345868 /nfs/dbraw/zinc/34/58/68/490345868.db2.gz VRVXTAXLORJXAF-QGZVFWFLSA-N 2 2 351.470 0.803 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000522147547 490347028 /nfs/dbraw/zinc/34/70/28/490347028.db2.gz PFXQSNRVBVZMTR-INIZCTEOSA-N 2 2 360.458 0.639 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000522147547 490347032 /nfs/dbraw/zinc/34/70/32/490347032.db2.gz PFXQSNRVBVZMTR-INIZCTEOSA-N 2 2 360.458 0.639 20 0 FCADLP c1c(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)nc2n1CCS2 ZINC000468044527 490358030 /nfs/dbraw/zinc/35/80/30/490358030.db2.gz JBFWEPJBXHLQMZ-UHFFFAOYSA-N 2 2 365.547 0.918 20 0 FCADLP c1c(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)nc2n1CCS2 ZINC000468044527 490358039 /nfs/dbraw/zinc/35/80/39/490358039.db2.gz JBFWEPJBXHLQMZ-UHFFFAOYSA-N 2 2 365.547 0.918 20 0 FCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000508868911 490367551 /nfs/dbraw/zinc/36/75/51/490367551.db2.gz WMUUQLWWGUTBFV-OKILXGFUSA-N 2 2 358.446 0.957 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507869 490368321 /nfs/dbraw/zinc/36/83/21/490368321.db2.gz IQPGHWOMTKCQHR-KGLIPLIRSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000422507869 490368324 /nfs/dbraw/zinc/36/83/24/490368324.db2.gz IQPGHWOMTKCQHR-KGLIPLIRSA-N 2 2 356.536 0.481 20 0 FCADLP CN(C(=O)CSC1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000448922794 490388518 /nfs/dbraw/zinc/38/85/18/490388518.db2.gz RVSKKVHBUQADQK-UHFFFAOYSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000484196032 490396063 /nfs/dbraw/zinc/39/60/63/490396063.db2.gz BPCKJFOQVHKBKU-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CCN2C1=O ZINC000564739802 491324204 /nfs/dbraw/zinc/32/42/04/491324204.db2.gz HCEKSUWCSFHQLD-LSDHHAIUSA-N 2 2 358.446 0.135 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)ccc1C[NH+](C)C ZINC000411228124 490409276 /nfs/dbraw/zinc/40/92/76/490409276.db2.gz OGNOPUGHLKLWRU-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)ccc1C[NH+](C)C ZINC000411228124 490409280 /nfs/dbraw/zinc/40/92/80/490409280.db2.gz OGNOPUGHLKLWRU-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845768 490415628 /nfs/dbraw/zinc/41/56/28/490415628.db2.gz FSVMWHDSAQQMRK-KZNAEPCWSA-N 2 2 362.474 0.252 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845768 490415634 /nfs/dbraw/zinc/41/56/34/490415634.db2.gz FSVMWHDSAQQMRK-KZNAEPCWSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000534845768 490415641 /nfs/dbraw/zinc/41/56/41/490415641.db2.gz FSVMWHDSAQQMRK-KZNAEPCWSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534845768 490415650 /nfs/dbraw/zinc/41/56/50/490415650.db2.gz FSVMWHDSAQQMRK-KZNAEPCWSA-N 2 2 362.474 0.252 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc(C)[nH+]1 ZINC000422595202 490419848 /nfs/dbraw/zinc/41/98/48/490419848.db2.gz YIUCRJKJEFCMBT-UHFFFAOYSA-N 2 2 374.485 0.885 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc(C)[nH+]1 ZINC000422595692 490421614 /nfs/dbraw/zinc/42/16/14/490421614.db2.gz ZTWBMWOWQYGZJO-OAHLLOKOSA-N 2 2 362.474 0.618 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc(C)[nH+]1 ZINC000422595692 490421619 /nfs/dbraw/zinc/42/16/19/490421619.db2.gz ZTWBMWOWQYGZJO-OAHLLOKOSA-N 2 2 362.474 0.618 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]1 ZINC000571744545 491325845 /nfs/dbraw/zinc/32/58/45/491325845.db2.gz VOGSXPQHKZBECS-GDBMZVCRSA-N 2 2 351.495 0.370 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000422626107 490433544 /nfs/dbraw/zinc/43/35/44/490433544.db2.gz IUJWWAKSODSRAG-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000422626107 490433554 /nfs/dbraw/zinc/43/35/54/490433554.db2.gz IUJWWAKSODSRAG-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+]1CCN(C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787481 491326451 /nfs/dbraw/zinc/32/64/51/491326451.db2.gz YCEOMZCOVGFUGJ-OALUTQOASA-N 3 2 374.533 0.259 20 0 FCADLP C[NH+]1CCN(C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787481 491326453 /nfs/dbraw/zinc/32/64/53/491326453.db2.gz YCEOMZCOVGFUGJ-OALUTQOASA-N 3 2 374.533 0.259 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)ccc1C[NH+](C)C ZINC000411400602 490449523 /nfs/dbraw/zinc/44/95/23/490449523.db2.gz VERXIJHZQMFWHY-UHFFFAOYSA-N 2 2 362.474 0.786 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564824999 491329081 /nfs/dbraw/zinc/32/90/81/491329081.db2.gz OKNQVNLNOANLSF-HIFRSBDPSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564824998 491329133 /nfs/dbraw/zinc/32/91/33/491329133.db2.gz OKNQVNLNOANLSF-DZGCQCFKSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000564827768 491329332 /nfs/dbraw/zinc/32/93/32/491329332.db2.gz BZRBEVGIGAZSKT-YOEHRIQHSA-N 2 2 352.504 0.781 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998312 490483654 /nfs/dbraw/zinc/48/36/54/490483654.db2.gz UTJOJCMGIKULIA-RDTXWAMCSA-N 2 2 355.479 0.629 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998312 490483658 /nfs/dbraw/zinc/48/36/58/490483658.db2.gz UTJOJCMGIKULIA-RDTXWAMCSA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843316 490485584 /nfs/dbraw/zinc/48/55/84/490485584.db2.gz HVIUIAJPOVOKAB-MSOLQXFVSA-N 3 2 361.490 0.477 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990325 490487790 /nfs/dbraw/zinc/48/77/90/490487790.db2.gz SZBJTPJVYCNXAV-YDHLFZDLSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000484990325 490487801 /nfs/dbraw/zinc/48/78/01/490487801.db2.gz SZBJTPJVYCNXAV-YDHLFZDLSA-N 2 2 350.438 0.788 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996973 490489193 /nfs/dbraw/zinc/48/91/93/490489193.db2.gz QTNDGKPUZPHAMP-UONOGXRCSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000484996973 490489199 /nfs/dbraw/zinc/48/91/99/490489199.db2.gz QTNDGKPUZPHAMP-UONOGXRCSA-N 2 2 368.503 0.853 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209613 490497739 /nfs/dbraw/zinc/49/77/39/490497739.db2.gz OAKLBSMGIKQGBI-XIRDDKMYSA-N 2 2 357.458 1.317 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209613 490497745 /nfs/dbraw/zinc/49/77/45/490497745.db2.gz OAKLBSMGIKQGBI-XIRDDKMYSA-N 2 2 357.458 1.317 20 0 FCADLP CCOC1CC(CNc2cc(NC[C@H](C)O)[nH+]cn2)([NH+]2CCOCC2)C1 ZINC000413257590 490498879 /nfs/dbraw/zinc/49/88/79/490498879.db2.gz CRDWBKCTLQQXAS-SYJJWHGVSA-N 2 2 365.478 0.951 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985280 490511643 /nfs/dbraw/zinc/51/16/43/490511643.db2.gz CYJQHDHAZCMYAP-IXDOHACOSA-N 3 2 360.506 0.870 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985280 490511646 /nfs/dbraw/zinc/51/16/46/490511646.db2.gz CYJQHDHAZCMYAP-IXDOHACOSA-N 2 2 360.506 0.870 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413908694 490512837 /nfs/dbraw/zinc/51/28/37/490512837.db2.gz UZWMMUKXRSGDKH-OAGGEKHMSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000413908694 490512842 /nfs/dbraw/zinc/51/28/42/490512842.db2.gz UZWMMUKXRSGDKH-OAGGEKHMSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908694 490512845 /nfs/dbraw/zinc/51/28/45/490512845.db2.gz UZWMMUKXRSGDKH-OAGGEKHMSA-N 2 2 355.479 0.439 20 0 FCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000413908694 490512848 /nfs/dbraw/zinc/51/28/48/490512848.db2.gz UZWMMUKXRSGDKH-OAGGEKHMSA-N 2 2 355.479 0.439 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423012271 490517458 /nfs/dbraw/zinc/51/74/58/490517458.db2.gz CRBQMVGOKNATCF-LSDHHAIUSA-N 2 2 362.499 0.460 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)c1 ZINC000423011513 490517913 /nfs/dbraw/zinc/51/79/13/490517913.db2.gz IYJZSVZOJUCDCH-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC1 ZINC000500454610 490519868 /nfs/dbraw/zinc/51/98/68/490519868.db2.gz DOXLUSFUEJZCNM-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000524153418 490522241 /nfs/dbraw/zinc/52/22/41/490522241.db2.gz GPPWJGGDHFBFMB-UHFFFAOYSA-N 2 2 369.429 0.043 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423030371 490524692 /nfs/dbraw/zinc/52/46/92/490524692.db2.gz BPUDPECHZMVCBO-IAGOWNOFSA-N 2 2 358.486 0.582 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423041256 490528342 /nfs/dbraw/zinc/52/83/42/490528342.db2.gz WRGZCIHEVHEFAD-MRXNPFEDSA-N 2 2 360.458 0.289 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423049504 490530119 /nfs/dbraw/zinc/53/01/19/490530119.db2.gz JWFYMULDDHHKII-KRWDZBQOSA-N 2 2 362.449 0.680 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000423049504 490530126 /nfs/dbraw/zinc/53/01/26/490530126.db2.gz JWFYMULDDHHKII-KRWDZBQOSA-N 2 2 362.449 0.680 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000564891798 491334061 /nfs/dbraw/zinc/33/40/61/491334061.db2.gz HWNKRTCCLBMYKH-KRWDZBQOSA-N 2 2 360.458 0.003 20 0 FCADLP O=C(C[NH+]1CCC(OCCO)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536006977 490546175 /nfs/dbraw/zinc/54/61/75/490546175.db2.gz HNEYNBIXSBVIGA-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000501012762 490568152 /nfs/dbraw/zinc/56/81/52/490568152.db2.gz XNCIYNUMIBFEEU-DLBZAZTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000501012762 490568155 /nfs/dbraw/zinc/56/81/55/490568155.db2.gz XNCIYNUMIBFEEU-DLBZAZTESA-N 2 2 369.506 0.829 20 0 FCADLP C[C@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013601 490568383 /nfs/dbraw/zinc/56/83/83/490568383.db2.gz FWIJNUUDHNVVBK-OALUTQOASA-N 2 2 368.566 0.824 20 0 FCADLP C[C@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013601 490568386 /nfs/dbraw/zinc/56/83/86/490568386.db2.gz FWIJNUUDHNVVBK-OALUTQOASA-N 2 2 368.566 0.824 20 0 FCADLP C[C@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013601 490568389 /nfs/dbraw/zinc/56/83/89/490568389.db2.gz FWIJNUUDHNVVBK-OALUTQOASA-N 2 2 368.566 0.824 20 0 FCADLP C[C@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)C(C)(C)C2)CCO1 ZINC000501013601 490568390 /nfs/dbraw/zinc/56/83/90/490568390.db2.gz FWIJNUUDHNVVBK-OALUTQOASA-N 2 2 368.566 0.824 20 0 FCADLP COc1ccccc1CCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000536352052 490570933 /nfs/dbraw/zinc/57/09/33/490570933.db2.gz ACGFEECGCWRDDT-UHFFFAOYSA-N 2 2 357.458 0.910 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000571902093 491336647 /nfs/dbraw/zinc/33/66/47/491336647.db2.gz IWUBMOOPVIQNLM-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000571902093 491336649 /nfs/dbraw/zinc/33/66/49/491336649.db2.gz IWUBMOOPVIQNLM-BBWFWOEESA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000556796316 491337236 /nfs/dbraw/zinc/33/72/36/491337236.db2.gz CFEYTHQZHYSOSS-UHFFFAOYSA-N 2 2 371.489 0.611 20 0 FCADLP Cc1ccncc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000525167279 490580497 /nfs/dbraw/zinc/58/04/97/490580497.db2.gz OQUWSKZNBHWVMX-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051615 490588050 /nfs/dbraw/zinc/58/80/50/490588050.db2.gz HSIMXKWTBNOMGF-HZPDHXFCSA-N 2 2 359.474 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486051615 490588054 /nfs/dbraw/zinc/58/80/54/490588054.db2.gz HSIMXKWTBNOMGF-HZPDHXFCSA-N 2 2 359.474 0.434 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114325 490591255 /nfs/dbraw/zinc/59/12/55/490591255.db2.gz ALNKOPMDQBNQSA-XJKSGUPXSA-N 2 2 359.474 0.597 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000486114325 490591262 /nfs/dbraw/zinc/59/12/62/490591262.db2.gz ALNKOPMDQBNQSA-XJKSGUPXSA-N 2 2 359.474 0.597 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000571943554 491338957 /nfs/dbraw/zinc/33/89/57/491338957.db2.gz ZNOHQNPUTYICLL-QGZVFWFLSA-N 2 2 357.458 0.679 20 0 FCADLP C[C@@]1(F)CC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@](C)(F)C3)CC2)C1 ZINC000501421856 490602595 /nfs/dbraw/zinc/60/25/95/490602595.db2.gz BKXTWPCLKXMRPD-HDICACEKSA-N 2 2 372.460 0.525 20 0 FCADLP C[C@@]1(F)CC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CC[C@](C)(F)C3)CC2)C1 ZINC000501421856 490602596 /nfs/dbraw/zinc/60/25/96/490602596.db2.gz BKXTWPCLKXMRPD-HDICACEKSA-N 2 2 372.460 0.525 20 0 FCADLP C[C@@]1(F)CC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@](C)(F)C3)CC2)C1 ZINC000501421856 490602598 /nfs/dbraw/zinc/60/25/98/490602598.db2.gz BKXTWPCLKXMRPD-HDICACEKSA-N 2 2 372.460 0.525 20 0 FCADLP C[C@@]1(F)CC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CC[C@](C)(F)C3)CC2)C1 ZINC000501421856 490602600 /nfs/dbraw/zinc/60/26/00/490602600.db2.gz BKXTWPCLKXMRPD-HDICACEKSA-N 2 2 372.460 0.525 20 0 FCADLP CN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000511589018 490604170 /nfs/dbraw/zinc/60/41/70/490604170.db2.gz ULXMDBOGLDJOSS-GOSISDBHSA-N 2 2 374.485 0.298 20 0 FCADLP CN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000511589018 490604172 /nfs/dbraw/zinc/60/41/72/490604172.db2.gz ULXMDBOGLDJOSS-GOSISDBHSA-N 2 2 374.485 0.298 20 0 FCADLP COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000525625211 490615490 /nfs/dbraw/zinc/61/54/90/490615490.db2.gz DZFMLIOKJOQXPW-UHFFFAOYSA-N 2 2 350.419 0.234 20 0 FCADLP CCC[C@H]1CN(C(=O)CC[NH+]2CCN(CC)CC2)CC[N@@H+]1CCOC ZINC000501607182 490622947 /nfs/dbraw/zinc/62/29/47/490622947.db2.gz ZQWMGVYQPMJKIJ-SFHVURJKSA-N 2 2 354.539 0.973 20 0 FCADLP CCC[C@H]1CN(C(=O)CC[NH+]2CCN(CC)CC2)CC[N@H+]1CCOC ZINC000501607182 490622952 /nfs/dbraw/zinc/62/29/52/490622952.db2.gz ZQWMGVYQPMJKIJ-SFHVURJKSA-N 2 2 354.539 0.973 20 0 FCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453330 490628851 /nfs/dbraw/zinc/62/88/51/490628851.db2.gz DXMMIQVDHDZUTH-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453330 490628855 /nfs/dbraw/zinc/62/88/55/490628855.db2.gz DXMMIQVDHDZUTH-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450675 490628879 /nfs/dbraw/zinc/62/88/79/490628879.db2.gz LKCAVUQQEQYMRH-WMLDXEAASA-N 2 2 362.449 0.899 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450675 490628884 /nfs/dbraw/zinc/62/88/84/490628884.db2.gz LKCAVUQQEQYMRH-WMLDXEAASA-N 2 2 362.449 0.899 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511825340 490630478 /nfs/dbraw/zinc/63/04/78/490630478.db2.gz XMABYOILHALWHJ-MRXNPFEDSA-N 2 2 361.490 0.580 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511825340 490630480 /nfs/dbraw/zinc/63/04/80/490630480.db2.gz XMABYOILHALWHJ-MRXNPFEDSA-N 2 2 361.490 0.580 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501649594 490631597 /nfs/dbraw/zinc/63/15/97/490631597.db2.gz UCEAOBALTJMZPF-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501649594 490631601 /nfs/dbraw/zinc/63/16/01/490631601.db2.gz UCEAOBALTJMZPF-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCCc1ccccc1 ZINC000486460487 490633311 /nfs/dbraw/zinc/63/33/11/490633311.db2.gz NFDHIGGQOHMNQQ-SFHVURJKSA-N 2 2 358.486 0.632 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCCCc1ccccc1 ZINC000486460487 490633318 /nfs/dbraw/zinc/63/33/18/490633318.db2.gz NFDHIGGQOHMNQQ-SFHVURJKSA-N 2 2 358.486 0.632 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000486460716 490633699 /nfs/dbraw/zinc/63/36/99/490633699.db2.gz AZYYKPQECICMFQ-INIZCTEOSA-N 2 2 365.499 0.747 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000486460716 490633703 /nfs/dbraw/zinc/63/37/03/490633703.db2.gz AZYYKPQECICMFQ-INIZCTEOSA-N 2 2 365.499 0.747 20 0 FCADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486464408 490634784 /nfs/dbraw/zinc/63/47/84/490634784.db2.gz GDRGEPSIBHEHEX-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486464408 490634789 /nfs/dbraw/zinc/63/47/89/490634789.db2.gz GDRGEPSIBHEHEX-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486464410 490635774 /nfs/dbraw/zinc/63/57/74/490635774.db2.gz GDRGEPSIBHEHEX-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486464410 490635777 /nfs/dbraw/zinc/63/57/77/490635777.db2.gz GDRGEPSIBHEHEX-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000486469893 490636322 /nfs/dbraw/zinc/63/63/22/490636322.db2.gz ONRWPRRKUQWMAA-CQSZACIVSA-N 2 2 364.515 0.823 20 0 FCADLP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000486469893 490636325 /nfs/dbraw/zinc/63/63/25/490636325.db2.gz ONRWPRRKUQWMAA-CQSZACIVSA-N 2 2 364.515 0.823 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)[C@@H]1C ZINC000486472347 490636609 /nfs/dbraw/zinc/63/66/09/490636609.db2.gz SWCSPRZWMDQZPY-NCOADZHNSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)[C@@H]1C ZINC000486472347 490636613 /nfs/dbraw/zinc/63/66/13/490636613.db2.gz SWCSPRZWMDQZPY-NCOADZHNSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)[C@H]1C ZINC000486472349 490636887 /nfs/dbraw/zinc/63/68/87/490636887.db2.gz SWCSPRZWMDQZPY-QZWWFDLISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)[C@H]1C ZINC000486472349 490636891 /nfs/dbraw/zinc/63/68/91/490636891.db2.gz SWCSPRZWMDQZPY-QZWWFDLISA-N 2 2 350.507 0.824 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccccc1F ZINC000550228875 490644744 /nfs/dbraw/zinc/64/47/44/490644744.db2.gz QFPCXDIVGIXCBW-MRXNPFEDSA-N 2 2 373.432 0.975 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550360509 490664786 /nfs/dbraw/zinc/66/47/86/490664786.db2.gz VGUFWZQSSTYPJM-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP CS[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1[NH+](C)C ZINC000537290186 490666850 /nfs/dbraw/zinc/66/68/50/490666850.db2.gz IIAUZKWEHRMMSX-SJORKVTESA-N 2 2 366.531 0.901 20 0 FCADLP CN(C(=O)[C@H]1CC1(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000502023563 490669094 /nfs/dbraw/zinc/66/90/94/490669094.db2.gz LKRHREIOFBSQEE-MRXNPFEDSA-N 2 2 350.507 0.729 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCOCC3)CCN2C1=O ZINC000572060673 491346293 /nfs/dbraw/zinc/34/62/93/491346293.db2.gz RVNGTURSHONWLA-CVEARBPZSA-N 2 2 373.457 0.295 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000565032815 491346813 /nfs/dbraw/zinc/34/68/13/491346813.db2.gz UOXOGFSIOUXACU-SQWLQELKSA-N 2 2 354.495 0.106 20 0 FCADLP O=C(NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000565038452 491346893 /nfs/dbraw/zinc/34/68/93/491346893.db2.gz NCYTUSOFWASPLS-ZWKOTPCHSA-N 2 2 352.438 0.983 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000512881443 490703095 /nfs/dbraw/zinc/70/30/95/490703095.db2.gz KZNDRROVEWPREO-INMHGKMJSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000512881443 490703098 /nfs/dbraw/zinc/70/30/98/490703098.db2.gz KZNDRROVEWPREO-INMHGKMJSA-N 2 2 354.495 0.058 20 0 FCADLP CN(C)c1nc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc[nH+]1 ZINC000565047739 491348099 /nfs/dbraw/zinc/34/80/99/491348099.db2.gz PGORZTBIMHUXOJ-ROUUACIJSA-N 3 2 370.501 0.596 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502515098 490708189 /nfs/dbraw/zinc/70/81/89/490708189.db2.gz AMYPQFZVGBWCHK-DLBZAZTESA-N 2 2 369.506 0.972 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502515098 490708194 /nfs/dbraw/zinc/70/81/94/490708194.db2.gz AMYPQFZVGBWCHK-DLBZAZTESA-N 2 2 369.506 0.972 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502570783 490710897 /nfs/dbraw/zinc/71/08/97/490710897.db2.gz ICXBQQHTJYABKD-CVEARBPZSA-N 2 2 365.522 0.983 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502570783 490710900 /nfs/dbraw/zinc/71/09/00/490710900.db2.gz ICXBQQHTJYABKD-CVEARBPZSA-N 2 2 365.522 0.983 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305411 490716077 /nfs/dbraw/zinc/71/60/77/490716077.db2.gz DNQSWPRWCCPUFU-BJLQDIEVSA-N 2 2 370.497 0.917 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305411 490716078 /nfs/dbraw/zinc/71/60/78/490716078.db2.gz DNQSWPRWCCPUFU-BJLQDIEVSA-N 2 2 370.497 0.917 20 0 FCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@H]2C1 ZINC000502704134 490717164 /nfs/dbraw/zinc/71/71/64/490717164.db2.gz XOUABRUSRPWRJY-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@H]2C1 ZINC000502704134 490717168 /nfs/dbraw/zinc/71/71/68/490717168.db2.gz XOUABRUSRPWRJY-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)[C@H]2C1 ZINC000502704134 490717171 /nfs/dbraw/zinc/71/71/71/490717171.db2.gz XOUABRUSRPWRJY-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)[C@H]2C1 ZINC000502704134 490717172 /nfs/dbraw/zinc/71/71/72/490717172.db2.gz XOUABRUSRPWRJY-OKZBNKHCSA-N 2 2 351.491 0.809 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000557014586 491349668 /nfs/dbraw/zinc/34/96/68/491349668.db2.gz IEODBNIXXFBYMR-ZIAGYGMSSA-N 2 2 350.467 0.071 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000513457012 490730580 /nfs/dbraw/zinc/73/05/80/490730580.db2.gz HJFZWNACLXCVSH-AWEZNQCLSA-N 2 2 364.494 0.146 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000513463756 490731041 /nfs/dbraw/zinc/73/10/41/490731041.db2.gz PVSXBSGWCNZLTL-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469039 490731708 /nfs/dbraw/zinc/73/17/08/490731708.db2.gz MIWMIIZOEUNPMX-XHSDSOJGSA-N 2 2 370.538 0.647 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000513469039 490731709 /nfs/dbraw/zinc/73/17/09/490731709.db2.gz MIWMIIZOEUNPMX-XHSDSOJGSA-N 2 2 370.538 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000565070508 491350578 /nfs/dbraw/zinc/35/05/78/491350578.db2.gz JSJRNBIMWSSFFT-MRXNPFEDSA-N 2 2 369.473 0.482 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000503063695 490737374 /nfs/dbraw/zinc/73/73/74/490737374.db2.gz USDXSIXWYIZXLX-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000503063695 490737377 /nfs/dbraw/zinc/73/73/77/490737377.db2.gz USDXSIXWYIZXLX-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1OC ZINC000487963031 490738968 /nfs/dbraw/zinc/73/89/68/490738968.db2.gz ZQELVDVQFFXVMM-IAGOWNOFSA-N 2 2 369.506 0.483 20 0 FCADLP CO[C@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1OC ZINC000487995881 490740687 /nfs/dbraw/zinc/74/06/87/490740687.db2.gz BEANEZXNUPEPQO-OALUTQOASA-N 2 2 361.486 0.985 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000503158381 490741603 /nfs/dbraw/zinc/74/16/03/490741603.db2.gz FFGVZPVUEFAUNF-TZDHZFECSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000503158381 490741606 /nfs/dbraw/zinc/74/16/06/490741606.db2.gz FFGVZPVUEFAUNF-TZDHZFECSA-N 2 2 360.462 0.475 20 0 FCADLP C[C@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C[NH+]1CCOCC1 ZINC000538682569 490744232 /nfs/dbraw/zinc/74/42/32/490744232.db2.gz UEAFGXBNELBQJQ-CYBMUJFWSA-N 2 2 360.462 0.732 20 0 FCADLP CC(C)(C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000513832017 490750853 /nfs/dbraw/zinc/75/08/53/490750853.db2.gz BRCNGPAKNPXSFW-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000513832017 490750855 /nfs/dbraw/zinc/75/08/55/490750855.db2.gz BRCNGPAKNPXSFW-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000503356376 490752642 /nfs/dbraw/zinc/75/26/42/490752642.db2.gz FTPTUMGGZHJLEO-INIZCTEOSA-N 2 2 368.478 0.128 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527806783 490760788 /nfs/dbraw/zinc/76/07/88/490760788.db2.gz MMSDKPDAHPUTCS-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP COC[C@@]1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000514590812 490772576 /nfs/dbraw/zinc/77/25/76/490772576.db2.gz JATQQIYTXGJTBG-QFBILLFUSA-N 2 2 362.474 0.385 20 0 FCADLP COC[C@@]1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000514590812 490772578 /nfs/dbraw/zinc/77/25/78/490772578.db2.gz JATQQIYTXGJTBG-QFBILLFUSA-N 2 2 362.474 0.385 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000557120325 491354502 /nfs/dbraw/zinc/35/45/02/491354502.db2.gz CSKVGJXPNJQLEY-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000557120325 491354505 /nfs/dbraw/zinc/35/45/05/491354505.db2.gz CSKVGJXPNJQLEY-MRXNPFEDSA-N 2 2 368.522 0.450 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671717 490780768 /nfs/dbraw/zinc/78/07/68/490780768.db2.gz APCODHDWRQWSEI-RDJZCZTQSA-N 2 2 351.491 0.844 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671717 490780770 /nfs/dbraw/zinc/78/07/70/490780770.db2.gz APCODHDWRQWSEI-RDJZCZTQSA-N 2 2 351.491 0.844 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1=CC[N@H+](C)CC1 ZINC000514677315 490781555 /nfs/dbraw/zinc/78/15/55/490781555.db2.gz UEORFAFEBARUBH-CQSZACIVSA-N 2 2 359.474 0.645 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1=CC[N@@H+](C)CC1 ZINC000514677315 490781559 /nfs/dbraw/zinc/78/15/59/490781559.db2.gz UEORFAFEBARUBH-CQSZACIVSA-N 2 2 359.474 0.645 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514678825 490781650 /nfs/dbraw/zinc/78/16/50/490781650.db2.gz VUBHKONTLBUXSF-GRIAEXQCSA-N 2 2 374.529 0.905 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514678825 490781653 /nfs/dbraw/zinc/78/16/53/490781653.db2.gz VUBHKONTLBUXSF-GRIAEXQCSA-N 2 2 374.529 0.905 20 0 FCADLP CN1CCN(c2cc(N3CCC(C)([NH+]4CCOCC4)CC3)nc[nH+]2)CC1=O ZINC000528189211 490782242 /nfs/dbraw/zinc/78/22/42/490782242.db2.gz KGDSLENLGPLDFE-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000539464989 490784654 /nfs/dbraw/zinc/78/46/54/490784654.db2.gz DGEYCJNYQCVTEE-UHFFFAOYSA-N 2 2 373.457 0.543 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000539464989 490784658 /nfs/dbraw/zinc/78/46/58/490784658.db2.gz DGEYCJNYQCVTEE-UHFFFAOYSA-N 2 2 373.457 0.543 20 0 FCADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000514863250 490794149 /nfs/dbraw/zinc/79/41/49/490794149.db2.gz RKZSIKDDWNAHON-UHFFFAOYSA-N 2 2 367.393 0.386 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000572226968 491356592 /nfs/dbraw/zinc/35/65/92/491356592.db2.gz VIBQTDRZSDOBLZ-YQQAZPJKSA-N 2 2 354.520 0.588 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514947259 490799698 /nfs/dbraw/zinc/79/96/98/490799698.db2.gz SSXTZRJKJQURDX-GOSISDBHSA-N 3 2 356.555 0.275 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514947259 490799700 /nfs/dbraw/zinc/79/97/00/490799700.db2.gz SSXTZRJKJQURDX-GOSISDBHSA-N 3 2 356.555 0.275 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000515058828 490805752 /nfs/dbraw/zinc/80/57/52/490805752.db2.gz CJSOADMHXSQZMK-MRXNPFEDSA-N 2 2 359.474 0.626 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000515405085 490824679 /nfs/dbraw/zinc/82/46/79/490824679.db2.gz ZWMOVBIIEVEKAO-CQSZACIVSA-N 2 2 369.491 0.480 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000515405085 490824684 /nfs/dbraw/zinc/82/46/84/490824684.db2.gz ZWMOVBIIEVEKAO-CQSZACIVSA-N 2 2 369.491 0.480 20 0 FCADLP COC[C@](C)(CNC(=O)[C@H](C)[NH+]1CC(C)C1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000565186551 491358384 /nfs/dbraw/zinc/35/83/84/491358384.db2.gz XESYTXMHVJQBSD-BXWFABGCSA-N 2 2 368.522 0.304 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000565187564 491358431 /nfs/dbraw/zinc/35/84/31/491358431.db2.gz CRTVHIDQRZVCAT-MRXNPFEDSA-N 2 2 374.489 0.302 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+]1CC(C)C1 ZINC000565187564 491358432 /nfs/dbraw/zinc/35/84/32/491358432.db2.gz CRTVHIDQRZVCAT-MRXNPFEDSA-N 2 2 374.489 0.302 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)ccc1C[NH+](C)C ZINC000515610012 490833186 /nfs/dbraw/zinc/83/31/86/490833186.db2.gz RJOMUOOSDVBDKQ-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)ccc1C[NH+](C)C ZINC000515610012 490833189 /nfs/dbraw/zinc/83/31/89/490833189.db2.gz RJOMUOOSDVBDKQ-OAHLLOKOSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1ccc([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000515642554 490834376 /nfs/dbraw/zinc/83/43/76/490834376.db2.gz LDPBNNXDPYDDST-MSOLQXFVSA-N 2 2 374.485 0.353 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000515832286 490839847 /nfs/dbraw/zinc/83/98/47/490839847.db2.gz PWDFFFDGKULQAX-QAPCUYQASA-N 2 2 365.474 0.943 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000557240972 491361333 /nfs/dbraw/zinc/36/13/33/491361333.db2.gz KZNNBQGHQOAURG-QGZVFWFLSA-N 2 2 356.474 0.976 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529290900 490848159 /nfs/dbraw/zinc/84/81/59/490848159.db2.gz FTJMXDJVKKTCJT-NVXWUHKLSA-N 2 2 354.495 0.507 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000516099375 490850774 /nfs/dbraw/zinc/85/07/74/490850774.db2.gz IBWUVUJXKVLGEM-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182093 490854980 /nfs/dbraw/zinc/85/49/80/490854980.db2.gz ISBQOZHGSDHVOE-QZTJIDSGSA-N 2 2 370.497 0.949 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000516182093 490854982 /nfs/dbraw/zinc/85/49/82/490854982.db2.gz ISBQOZHGSDHVOE-QZTJIDSGSA-N 2 2 370.497 0.949 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000529373924 490857508 /nfs/dbraw/zinc/85/75/08/490857508.db2.gz KOCQAFRLAFTGCK-KRWDZBQOSA-N 2 2 362.474 0.901 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1F ZINC000529376407 490857752 /nfs/dbraw/zinc/85/77/52/490857752.db2.gz VHKJDUNVVIVNCW-OAHLLOKOSA-N 2 2 366.437 0.650 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@H+]1C)C2 ZINC000529755187 490874291 /nfs/dbraw/zinc/87/42/91/490874291.db2.gz ZLFLXRHNRWJZNQ-KXBFYZLASA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@]1(CO)COCC3(CCC3)[N@@H+]1C)C2 ZINC000529755187 490874292 /nfs/dbraw/zinc/87/42/92/490874292.db2.gz ZLFLXRHNRWJZNQ-KXBFYZLASA-N 2 2 362.474 0.486 20 0 FCADLP COc1ccccc1[C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000541980891 490881527 /nfs/dbraw/zinc/88/15/27/490881527.db2.gz MVLYQSVAAHQRKZ-INIZCTEOSA-N 2 2 365.474 0.545 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030229 490891914 /nfs/dbraw/zinc/89/19/14/490891914.db2.gz KLPUZAMHIUHINQ-OLZOCXBDSA-N 2 2 360.414 0.647 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030229 490891915 /nfs/dbraw/zinc/89/19/15/490891915.db2.gz KLPUZAMHIUHINQ-OLZOCXBDSA-N 2 2 360.414 0.647 20 0 FCADLP CC[N@H+](Cc1coc(S(C)(=O)=O)c1)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC000530230024 490894721 /nfs/dbraw/zinc/89/47/21/490894721.db2.gz CLPGGWYEHPFVEN-ZDUSSCGKSA-N 2 2 357.476 0.715 20 0 FCADLP CC[N@@H+](Cc1coc(S(C)(=O)=O)c1)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC000530230024 490894722 /nfs/dbraw/zinc/89/47/22/490894722.db2.gz CLPGGWYEHPFVEN-ZDUSSCGKSA-N 2 2 357.476 0.715 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000517140570 490896485 /nfs/dbraw/zinc/89/64/85/490896485.db2.gz RVWCQURUWQCUKW-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000517140570 490896487 /nfs/dbraw/zinc/89/64/87/490896487.db2.gz RVWCQURUWQCUKW-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cs1 ZINC000517540503 490911027 /nfs/dbraw/zinc/91/10/27/490911027.db2.gz ZGXOULFMNKAQIT-INIZCTEOSA-N 2 2 366.535 0.572 20 0 FCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cs1 ZINC000517540503 490911029 /nfs/dbraw/zinc/91/10/29/490911029.db2.gz ZGXOULFMNKAQIT-INIZCTEOSA-N 2 2 366.535 0.572 20 0 FCADLP COCCOc1ccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000517556995 490911377 /nfs/dbraw/zinc/91/13/77/490911377.db2.gz SYASLEGWSSXPCB-UXLLHSPISA-N 2 2 353.463 0.667 20 0 FCADLP COCCOc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000517556995 490911380 /nfs/dbraw/zinc/91/13/80/490911380.db2.gz SYASLEGWSSXPCB-UXLLHSPISA-N 2 2 353.463 0.667 20 0 FCADLP COCCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000517556993 490911408 /nfs/dbraw/zinc/91/14/08/490911408.db2.gz SYASLEGWSSXPCB-INMHGKMJSA-N 2 2 353.463 0.667 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000517718314 490917656 /nfs/dbraw/zinc/91/76/56/490917656.db2.gz HRMJZLXHWKXHIY-INIZCTEOSA-N 2 2 361.494 0.369 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)CC1 ZINC000543012083 490918796 /nfs/dbraw/zinc/91/87/96/490918796.db2.gz SQOCHHGFDBMSMK-KRWDZBQOSA-N 2 2 350.507 0.480 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1=O ZINC000543050606 490920164 /nfs/dbraw/zinc/92/01/64/490920164.db2.gz KNTSDTWVAOCEBG-OAGGEKHMSA-N 2 2 374.489 0.647 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000543050606 490920165 /nfs/dbraw/zinc/92/01/65/490920165.db2.gz KNTSDTWVAOCEBG-OAGGEKHMSA-N 2 2 374.489 0.647 20 0 FCADLP O=c1ccc(Br)cn1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000518360171 490937911 /nfs/dbraw/zinc/93/79/11/490937911.db2.gz RBSIFJGYWAFPBM-DZGCQCFKSA-N 2 2 356.264 0.967 20 0 FCADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)C2)nn1 ZINC000557295927 491365830 /nfs/dbraw/zinc/36/58/30/491365830.db2.gz VPHWTRIPOABBKM-XSLAGTTESA-N 2 2 363.506 0.814 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000557297317 491365884 /nfs/dbraw/zinc/36/58/84/491365884.db2.gz LELSVLSNCKHHET-INIZCTEOSA-N 2 2 361.490 0.791 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000543841001 490949487 /nfs/dbraw/zinc/94/94/87/490949487.db2.gz ZIFCRKBVYFTTOC-CQSZACIVSA-N 2 2 356.264 0.846 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301115 490951234 /nfs/dbraw/zinc/95/12/34/490951234.db2.gz XGVRNQXQWCIEIO-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000531301115 490951235 /nfs/dbraw/zinc/95/12/35/490951235.db2.gz XGVRNQXQWCIEIO-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000572399212 491367532 /nfs/dbraw/zinc/36/75/32/491367532.db2.gz XRZQDNMZGRVJDN-DLBZAZTESA-N 2 2 360.458 0.044 20 0 FCADLP CC[NH+](CC)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000544592215 490973121 /nfs/dbraw/zinc/97/31/21/490973121.db2.gz XFUZRNAPOGWDML-UHFFFAOYSA-N 2 2 362.478 0.933 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519532708 490974398 /nfs/dbraw/zinc/97/43/98/490974398.db2.gz DZHRCYNZZRCCHF-BZUAXINKSA-N 2 2 357.458 0.235 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000531837948 490976289 /nfs/dbraw/zinc/97/62/89/490976289.db2.gz GHWQKQLPRSAFTJ-SJORKVTESA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000531837948 490976291 /nfs/dbraw/zinc/97/62/91/490976291.db2.gz GHWQKQLPRSAFTJ-SJORKVTESA-N 2 2 353.511 0.127 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000519586883 490977696 /nfs/dbraw/zinc/97/76/96/490977696.db2.gz BPOPSDPPFBAZRF-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000519586883 490977698 /nfs/dbraw/zinc/97/76/98/490977698.db2.gz BPOPSDPPFBAZRF-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000519640539 490981230 /nfs/dbraw/zinc/98/12/30/490981230.db2.gz DKESJCPSXQYNIH-RDJZCZTQSA-N 3 2 366.531 0.840 20 0 FCADLP C[C@]1(CNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC[NH2+]C1 ZINC000519754221 490988079 /nfs/dbraw/zinc/98/80/79/490988079.db2.gz HVKHKHNSQZAKSK-SFHVURJKSA-N 2 2 364.515 0.898 20 0 FCADLP Cc1noc(C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccccc2)n1 ZINC000519756036 490988150 /nfs/dbraw/zinc/98/81/50/490988150.db2.gz OIHFWCYGEPPJSX-HOTGVXAUSA-N 2 2 358.446 0.946 20 0 FCADLP Cc1noc(C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccccc2)n1 ZINC000519756036 490988151 /nfs/dbraw/zinc/98/81/51/490988151.db2.gz OIHFWCYGEPPJSX-HOTGVXAUSA-N 2 2 358.446 0.946 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000595311648 491916534 /nfs/dbraw/zinc/91/65/34/491916534.db2.gz IQDXGXNQKUOMLC-QGZVFWFLSA-N 2 2 366.531 0.807 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000595311648 491916536 /nfs/dbraw/zinc/91/65/36/491916536.db2.gz IQDXGXNQKUOMLC-QGZVFWFLSA-N 2 2 366.531 0.807 20 0 FCADLP CC(C)NC(=O)CN(C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478634 491926019 /nfs/dbraw/zinc/92/60/19/491926019.db2.gz QTOMDUSTNFFIAR-KRWDZBQOSA-N 2 2 367.538 0.070 20 0 FCADLP CC(C)NC(=O)CN(C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478634 491926021 /nfs/dbraw/zinc/92/60/21/491926021.db2.gz QTOMDUSTNFFIAR-KRWDZBQOSA-N 2 2 367.538 0.070 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000569692459 491182056 /nfs/dbraw/zinc/18/20/56/491182056.db2.gz AVFWLZZTOVVHDH-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000557597953 491386435 /nfs/dbraw/zinc/38/64/35/491386435.db2.gz OOXODYNPQABHFC-INIZCTEOSA-N 2 2 364.494 1.019 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000557597953 491386438 /nfs/dbraw/zinc/38/64/38/491386438.db2.gz OOXODYNPQABHFC-INIZCTEOSA-N 2 2 364.494 1.019 20 0 FCADLP C[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H](C)[NH+]1CC(C)C1)[NH+]1CC(C)C1 ZINC000557594248 491386455 /nfs/dbraw/zinc/38/64/55/491386455.db2.gz WIXUIXSPATXUKW-HZPDHXFCSA-N 2 2 352.523 0.925 20 0 FCADLP COCCC(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000565594747 491387558 /nfs/dbraw/zinc/38/75/58/491387558.db2.gz WTQSPAODQGKDHL-INMHGKMJSA-N 2 2 357.495 0.074 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)C[C@@H](C)O1 ZINC000572763376 491392133 /nfs/dbraw/zinc/39/21/33/491392133.db2.gz WTCURRDBFBQHEV-PNBKFKSVSA-N 2 2 371.909 0.946 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000557704730 491392283 /nfs/dbraw/zinc/39/22/83/491392283.db2.gz JVVVEULLLMBTSE-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000557706755 491392630 /nfs/dbraw/zinc/39/26/30/491392630.db2.gz OZUSSHBGZYYNNH-PMPSAXMXSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000557706755 491392632 /nfs/dbraw/zinc/39/26/32/491392632.db2.gz OZUSSHBGZYYNNH-PMPSAXMXSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000557707068 491392932 /nfs/dbraw/zinc/39/29/32/491392932.db2.gz YMOOVMNMYWFIOU-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000572857694 491398106 /nfs/dbraw/zinc/39/81/06/491398106.db2.gz PPQLPTFJFWIFAT-UHFFFAOYSA-N 2 2 363.437 0.085 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000565823300 491401387 /nfs/dbraw/zinc/40/13/87/491401387.db2.gz KFAGUVHQGXGHFK-HNNXBMFYSA-N 3 2 355.552 0.632 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000565823300 491401389 /nfs/dbraw/zinc/40/13/89/491401389.db2.gz KFAGUVHQGXGHFK-HNNXBMFYSA-N 3 2 355.552 0.632 20 0 FCADLP CC[C@H]1C[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000557920055 491405002 /nfs/dbraw/zinc/40/50/02/491405002.db2.gz NBCOBVIAKUOJBO-HOTGVXAUSA-N 2 2 370.563 0.825 20 0 FCADLP CC[C@H]1C[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000557920055 491405005 /nfs/dbraw/zinc/40/50/05/491405005.db2.gz NBCOBVIAKUOJBO-HOTGVXAUSA-N 2 2 370.563 0.825 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@]3(C)CCC[NH2+]C3)ccn2)CC1 ZINC000565880263 491405125 /nfs/dbraw/zinc/40/51/25/491405125.db2.gz HOKPSPALHICGPZ-LJQANCHMSA-N 2 2 374.489 0.980 20 0 FCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000557920057 491405219 /nfs/dbraw/zinc/40/52/19/491405219.db2.gz NBCOBVIAKUOJBO-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)CSCC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000557920057 491405216 /nfs/dbraw/zinc/40/52/16/491405216.db2.gz NBCOBVIAKUOJBO-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000557920057 491405222 /nfs/dbraw/zinc/40/52/22/491405222.db2.gz NBCOBVIAKUOJBO-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CSCC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000557920057 491405225 /nfs/dbraw/zinc/40/52/25/491405225.db2.gz NBCOBVIAKUOJBO-IYBDPMFKSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573088602 491411593 /nfs/dbraw/zinc/41/15/93/491411593.db2.gz RYLJGPKFSQGDAB-GDBMZVCRSA-N 2 2 372.469 0.592 20 0 FCADLP CCc1cc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000558102390 491414216 /nfs/dbraw/zinc/41/42/16/491414216.db2.gz ALZIKTHVDMWVPX-UHFFFAOYSA-N 2 2 365.478 0.338 20 0 FCADLP CCc1cc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000558102390 491414217 /nfs/dbraw/zinc/41/42/17/491414217.db2.gz ALZIKTHVDMWVPX-UHFFFAOYSA-N 2 2 365.478 0.338 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CC1 ZINC000573235031 491421218 /nfs/dbraw/zinc/42/12/18/491421218.db2.gz YJLSNRUGFLXRNY-HZPDHXFCSA-N 2 2 374.489 0.819 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CC1 ZINC000573235031 491421219 /nfs/dbraw/zinc/42/12/19/491421219.db2.gz YJLSNRUGFLXRNY-HZPDHXFCSA-N 2 2 374.489 0.819 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000573280658 491423953 /nfs/dbraw/zinc/42/39/53/491423953.db2.gz MZWGSWISVIEXNU-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000573280658 491423954 /nfs/dbraw/zinc/42/39/54/491423954.db2.gz MZWGSWISVIEXNU-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(I)c2)[C@@H](C[NH3+])C1 ZINC000566200670 491425011 /nfs/dbraw/zinc/42/50/11/491425011.db2.gz WFUFSWBIAWNZTH-ZDUSSCGKSA-N 2 2 373.238 0.935 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2cccc(I)c2)[C@@H](C[NH3+])C1 ZINC000566200670 491425013 /nfs/dbraw/zinc/42/50/13/491425013.db2.gz WFUFSWBIAWNZTH-ZDUSSCGKSA-N 2 2 373.238 0.935 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000573307907 491425249 /nfs/dbraw/zinc/42/52/49/491425249.db2.gz ZBYSHWCLLHBFPM-IRXDYDNUSA-N 2 2 359.474 0.634 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000573307907 491425251 /nfs/dbraw/zinc/42/52/51/491425251.db2.gz ZBYSHWCLLHBFPM-IRXDYDNUSA-N 2 2 359.474 0.634 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000573307908 491425408 /nfs/dbraw/zinc/42/54/08/491425408.db2.gz ZBYSHWCLLHBFPM-SJORKVTESA-N 2 2 359.474 0.634 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000573307908 491425410 /nfs/dbraw/zinc/42/54/10/491425410.db2.gz ZBYSHWCLLHBFPM-SJORKVTESA-N 2 2 359.474 0.634 20 0 FCADLP [NH3+]Cc1ccc(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000566227106 491427526 /nfs/dbraw/zinc/42/75/26/491427526.db2.gz SZVXIENTEXFFCX-UHFFFAOYSA-N 2 2 358.446 0.996 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000566242793 491429546 /nfs/dbraw/zinc/42/95/46/491429546.db2.gz JDVCEPBZLXPIQB-MSOLQXFVSA-N 2 2 364.534 0.929 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000566242793 491429548 /nfs/dbraw/zinc/42/95/48/491429548.db2.gz JDVCEPBZLXPIQB-MSOLQXFVSA-N 2 2 364.534 0.929 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000566242795 491429714 /nfs/dbraw/zinc/42/97/14/491429714.db2.gz JDVCEPBZLXPIQB-ROUUACIJSA-N 2 2 364.534 0.929 20 0 FCADLP CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000566242795 491429715 /nfs/dbraw/zinc/42/97/15/491429715.db2.gz JDVCEPBZLXPIQB-ROUUACIJSA-N 2 2 364.534 0.929 20 0 FCADLP CC1C[C@H](C(=O)NCc2c[nH+]cn2C)[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000573494868 491436839 /nfs/dbraw/zinc/43/68/39/491436839.db2.gz KXOUBAZYRZBQRO-HOTGVXAUSA-N 2 2 358.446 0.749 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000566371825 491440098 /nfs/dbraw/zinc/44/00/98/491440098.db2.gz HRKSJNNTOYFCQL-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000566371825 491440099 /nfs/dbraw/zinc/44/00/99/491440099.db2.gz HRKSJNNTOYFCQL-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000566371825 491440101 /nfs/dbraw/zinc/44/01/01/491440101.db2.gz HRKSJNNTOYFCQL-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000566371825 491440102 /nfs/dbraw/zinc/44/01/02/491440102.db2.gz HRKSJNNTOYFCQL-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)C[C@@H](C)O1 ZINC000573835039 491457810 /nfs/dbraw/zinc/45/78/10/491457810.db2.gz OJRYMAORLJDFRK-TUVASFSCSA-N 2 2 369.428 0.309 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000573854924 491459117 /nfs/dbraw/zinc/45/91/17/491459117.db2.gz VRSYMYZEELUCSF-OALUTQOASA-N 2 2 360.502 0.157 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000573904452 491461987 /nfs/dbraw/zinc/46/19/87/491461987.db2.gz CXZRTYXAUIIKOD-ZWKOTPCHSA-N 2 2 361.490 0.263 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000573920523 491462945 /nfs/dbraw/zinc/46/29/45/491462945.db2.gz PYESWMPWNHDQJR-CABCVRRESA-N 2 2 361.490 0.615 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000559359114 491467015 /nfs/dbraw/zinc/46/70/15/491467015.db2.gz OHTUVZNLEHIMIG-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+]1C ZINC000559360642 491467079 /nfs/dbraw/zinc/46/70/79/491467079.db2.gz MKIHDHOUSYUMDZ-LSDHHAIUSA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000559360642 491467082 /nfs/dbraw/zinc/46/70/82/491467082.db2.gz MKIHDHOUSYUMDZ-LSDHHAIUSA-N 2 2 350.463 0.797 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000559379064 491468582 /nfs/dbraw/zinc/46/85/82/491468582.db2.gz MQUMGXHEIZINQO-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000574023727 491469286 /nfs/dbraw/zinc/46/92/86/491469286.db2.gz MNVLAOAKRIZLQR-MSOLQXFVSA-N 2 2 362.474 0.737 20 0 FCADLP C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000574024077 491469596 /nfs/dbraw/zinc/46/95/96/491469596.db2.gz OXHDMXAPRNAMGH-INIZCTEOSA-N 2 2 362.474 0.901 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000559411091 491470642 /nfs/dbraw/zinc/47/06/42/491470642.db2.gz HPBBVNFAJSWWJI-IRXDYDNUSA-N 2 2 369.469 0.603 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000566846123 491470878 /nfs/dbraw/zinc/47/08/78/491470878.db2.gz NQKFUKLZHRQXSF-QGZVFWFLSA-N 2 2 373.501 0.183 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000566874042 491472804 /nfs/dbraw/zinc/47/28/04/491472804.db2.gz XWZNJDSQEDVXBK-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000566874042 491472806 /nfs/dbraw/zinc/47/28/06/491472806.db2.gz XWZNJDSQEDVXBK-ARFHVFGLSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000559462761 491475671 /nfs/dbraw/zinc/47/56/71/491475671.db2.gz MJTOXUKVCDFXFL-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660345952 493345288 /nfs/dbraw/zinc/34/52/88/493345288.db2.gz RSLHIZUOOUQFJO-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000559561200 491481808 /nfs/dbraw/zinc/48/18/08/491481808.db2.gz DMQJIJPTMOLCDE-MRXNPFEDSA-N 2 2 357.458 0.792 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000559561200 491481809 /nfs/dbraw/zinc/48/18/09/491481809.db2.gz DMQJIJPTMOLCDE-MRXNPFEDSA-N 2 2 357.458 0.792 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000567046225 491482461 /nfs/dbraw/zinc/48/24/61/491482461.db2.gz VTYSYTJRWPIBNT-ROUUACIJSA-N 2 2 374.485 0.434 20 0 FCADLP CCN1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000559579295 491482584 /nfs/dbraw/zinc/48/25/84/491482584.db2.gz YNNCKSOTLIHBAQ-INIZCTEOSA-N 2 2 374.489 0.358 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000559636009 491488399 /nfs/dbraw/zinc/48/83/99/491488399.db2.gz DTZDXSQJIIEPEW-GDBMZVCRSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000559641422 491488785 /nfs/dbraw/zinc/48/87/85/491488785.db2.gz XDGQKCOALDWKIP-SFHVURJKSA-N 2 2 360.502 0.506 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000559641422 491488787 /nfs/dbraw/zinc/48/87/87/491488787.db2.gz XDGQKCOALDWKIP-SFHVURJKSA-N 2 2 360.502 0.506 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000567260268 491495389 /nfs/dbraw/zinc/49/53/89/491495389.db2.gz BAHMVFCDVRELSC-OAHLLOKOSA-N 2 2 364.515 0.850 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000559780648 491499212 /nfs/dbraw/zinc/49/92/12/491499212.db2.gz PXNBKCHPCFDEHD-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000559780648 491499215 /nfs/dbraw/zinc/49/92/15/491499215.db2.gz PXNBKCHPCFDEHD-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000559780646 491499421 /nfs/dbraw/zinc/49/94/21/491499421.db2.gz PXNBKCHPCFDEHD-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000559780646 491499424 /nfs/dbraw/zinc/49/94/24/491499424.db2.gz PXNBKCHPCFDEHD-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499027 491500581 /nfs/dbraw/zinc/50/05/81/491500581.db2.gz VPWIDOYIAOHUGO-GDBMZVCRSA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499027 491500583 /nfs/dbraw/zinc/50/05/83/491500583.db2.gz VPWIDOYIAOHUGO-GDBMZVCRSA-N 2 2 357.458 0.701 20 0 FCADLP Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000574512661 491502113 /nfs/dbraw/zinc/50/21/13/491502113.db2.gz ZCAAZDMRGCYUQY-INMHGKMJSA-N 2 2 367.465 0.924 20 0 FCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000559884625 491507806 /nfs/dbraw/zinc/50/78/06/491507806.db2.gz LKXCMGRVAUDZCP-SFHVURJKSA-N 2 2 367.453 0.854 20 0 FCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000559884625 491507808 /nfs/dbraw/zinc/50/78/08/491507808.db2.gz LKXCMGRVAUDZCP-SFHVURJKSA-N 2 2 367.453 0.854 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567471936 491508236 /nfs/dbraw/zinc/50/82/36/491508236.db2.gz ALJJKLKPQNDLSY-LSDHHAIUSA-N 2 2 364.515 0.754 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567471936 491508237 /nfs/dbraw/zinc/50/82/37/491508237.db2.gz ALJJKLKPQNDLSY-LSDHHAIUSA-N 2 2 364.515 0.754 20 0 FCADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000567487719 491509010 /nfs/dbraw/zinc/50/90/10/491509010.db2.gz XYVRHXAIXWRTDE-LMMKCTJWSA-N 2 2 356.470 0.806 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000559928249 491511143 /nfs/dbraw/zinc/51/11/43/491511143.db2.gz BQFLRQQCCFVVAO-UHFFFAOYSA-N 2 2 365.478 0.262 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000559928249 491511144 /nfs/dbraw/zinc/51/11/44/491511144.db2.gz BQFLRQQCCFVVAO-UHFFFAOYSA-N 2 2 365.478 0.262 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528111 491512293 /nfs/dbraw/zinc/51/22/93/491512293.db2.gz KKFVDLPIZKCISE-WBVHZDCISA-N 2 2 366.506 0.226 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528111 491512294 /nfs/dbraw/zinc/51/22/94/491512294.db2.gz KKFVDLPIZKCISE-WBVHZDCISA-N 2 2 366.506 0.226 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571486 491514668 /nfs/dbraw/zinc/51/46/68/491514668.db2.gz HZPIFTFYZGJQFV-SJORKVTESA-N 3 2 355.527 0.408 20 0 FCADLP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571486 491514670 /nfs/dbraw/zinc/51/46/70/491514670.db2.gz HZPIFTFYZGJQFV-SJORKVTESA-N 3 2 355.527 0.408 20 0 FCADLP COCC(=O)N1CCC([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000574749889 491517649 /nfs/dbraw/zinc/51/76/49/491517649.db2.gz KWELNUAWBWKCKF-IBGZPJMESA-N 2 2 361.486 0.633 20 0 FCADLP COCC(=O)N1CCC([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000574749889 491517650 /nfs/dbraw/zinc/51/76/50/491517650.db2.gz KWELNUAWBWKCKF-IBGZPJMESA-N 2 2 361.486 0.633 20 0 FCADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000567663138 491521304 /nfs/dbraw/zinc/52/13/04/491521304.db2.gz AXDMVKQTMYIVPQ-DLBZAZTESA-N 2 2 370.457 0.563 20 0 FCADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000567663138 491521306 /nfs/dbraw/zinc/52/13/06/491521306.db2.gz AXDMVKQTMYIVPQ-DLBZAZTESA-N 2 2 370.457 0.563 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)CCC2 ZINC000560302983 491529679 /nfs/dbraw/zinc/52/96/79/491529679.db2.gz WKRJUZMRSHVURS-OAHLLOKOSA-N 2 2 358.446 0.978 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000560300624 491529742 /nfs/dbraw/zinc/52/97/42/491529742.db2.gz GIOAYJKCBMGRLA-UHFFFAOYSA-N 2 2 351.451 0.007 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000560300624 491529743 /nfs/dbraw/zinc/52/97/43/491529743.db2.gz GIOAYJKCBMGRLA-UHFFFAOYSA-N 2 2 351.451 0.007 20 0 FCADLP C[C@H](C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000574982693 491531847 /nfs/dbraw/zinc/53/18/47/491531847.db2.gz HSSCQCYRSGBYOB-HUUCEWRRSA-N 2 2 361.442 0.201 20 0 FCADLP COCc1noc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000567891107 491538601 /nfs/dbraw/zinc/53/86/01/491538601.db2.gz CVXJOPPWVWRGBI-MJBXVCDLSA-N 2 2 351.451 0.857 20 0 FCADLP COCc1noc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000567891107 491538603 /nfs/dbraw/zinc/53/86/03/491538603.db2.gz CVXJOPPWVWRGBI-MJBXVCDLSA-N 2 2 351.451 0.857 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000567893390 491538898 /nfs/dbraw/zinc/53/88/98/491538898.db2.gz MDZWECJSJLJTRQ-KRWDZBQOSA-N 2 2 369.473 0.365 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000567893390 491538901 /nfs/dbraw/zinc/53/89/01/491538901.db2.gz MDZWECJSJLJTRQ-KRWDZBQOSA-N 2 2 369.473 0.365 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000560432680 491539569 /nfs/dbraw/zinc/53/95/69/491539569.db2.gz FZSOJHLEPZOSJN-LNRIEFBSSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000560432680 491539570 /nfs/dbraw/zinc/53/95/70/491539570.db2.gz FZSOJHLEPZOSJN-LNRIEFBSSA-N 2 2 363.506 0.606 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567904596 491540033 /nfs/dbraw/zinc/54/00/33/491540033.db2.gz FQSDWVWUFQLHCF-IRXDYDNUSA-N 2 2 364.515 0.455 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)CC1 ZINC000575178430 491543654 /nfs/dbraw/zinc/54/36/54/491543654.db2.gz ZJCOFDHOUMLHIJ-MRXNPFEDSA-N 2 2 365.503 0.546 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000575174431 491543768 /nfs/dbraw/zinc/54/37/68/491543768.db2.gz FFNSRWDYSRUGBY-FGTMMUONSA-N 2 2 355.523 0.691 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000575174431 491543769 /nfs/dbraw/zinc/54/37/69/491543769.db2.gz FFNSRWDYSRUGBY-FGTMMUONSA-N 2 2 355.523 0.691 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000560558439 491544992 /nfs/dbraw/zinc/54/49/92/491544992.db2.gz KBLGDDCAUVBNEO-IRXDYDNUSA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000560558439 491544995 /nfs/dbraw/zinc/54/49/95/491544995.db2.gz KBLGDDCAUVBNEO-IRXDYDNUSA-N 2 2 365.522 0.807 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000575365033 491550832 /nfs/dbraw/zinc/55/08/32/491550832.db2.gz NYZAPSYEFZUGQZ-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000575365033 491550834 /nfs/dbraw/zinc/55/08/34/491550834.db2.gz NYZAPSYEFZUGQZ-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP NC(=O)NC(=O)CC[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000575377606 491551772 /nfs/dbraw/zinc/55/17/72/491551772.db2.gz YMYTWRBORINKIM-UHFFFAOYSA-N 2 2 350.419 0.072 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000568101423 491553229 /nfs/dbraw/zinc/55/32/29/491553229.db2.gz XBIMGZILUALBJW-UHFFFAOYSA-N 2 2 372.513 0.961 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000568101423 491553230 /nfs/dbraw/zinc/55/32/30/491553230.db2.gz XBIMGZILUALBJW-UHFFFAOYSA-N 2 2 372.513 0.961 20 0 FCADLP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000568192499 491558383 /nfs/dbraw/zinc/55/83/83/491558383.db2.gz MQHFLSICTQILOZ-KRWDZBQOSA-N 3 2 361.490 0.431 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000575790375 491561165 /nfs/dbraw/zinc/56/11/65/491561165.db2.gz IXEVTJIBLWFJKK-CQSZACIVSA-N 2 2 351.451 0.616 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000575790375 491561168 /nfs/dbraw/zinc/56/11/68/491561168.db2.gz IXEVTJIBLWFJKK-CQSZACIVSA-N 2 2 351.451 0.616 20 0 FCADLP CS[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560874115 491561447 /nfs/dbraw/zinc/56/14/47/491561447.db2.gz HTZMQTWMVYMAEI-ZDUSSCGKSA-N 2 2 356.536 0.529 20 0 FCADLP Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000568264692 491563966 /nfs/dbraw/zinc/56/39/66/491563966.db2.gz SSBBTXXWNRFPEI-OAHLLOKOSA-N 2 2 368.503 0.025 20 0 FCADLP Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000568264692 491563967 /nfs/dbraw/zinc/56/39/67/491563967.db2.gz SSBBTXXWNRFPEI-OAHLLOKOSA-N 2 2 368.503 0.025 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000575852649 491564935 /nfs/dbraw/zinc/56/49/35/491564935.db2.gz JVNFUIGLFWEOGO-MSOLQXFVSA-N 2 2 361.490 0.263 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568270262 491565436 /nfs/dbraw/zinc/56/54/36/491565436.db2.gz YTTPRFCYRPPDMQ-BRWVUGGUSA-N 2 2 358.486 0.971 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568270262 491565438 /nfs/dbraw/zinc/56/54/38/491565438.db2.gz YTTPRFCYRPPDMQ-BRWVUGGUSA-N 2 2 358.486 0.971 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+]([C@@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928122 491570704 /nfs/dbraw/zinc/57/07/04/491570704.db2.gz BFRXLSXKDCFNHY-WMLDXEAASA-N 2 2 359.474 0.565 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000561016446 491570920 /nfs/dbraw/zinc/57/09/20/491570920.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000561016446 491570922 /nfs/dbraw/zinc/57/09/22/491570922.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000561016446 491570924 /nfs/dbraw/zinc/57/09/24/491570924.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000561016446 491570926 /nfs/dbraw/zinc/57/09/26/491570926.db2.gz SDQXCKLZFIABMG-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383512 491573281 /nfs/dbraw/zinc/57/32/81/491573281.db2.gz QBVYKFXIZWOEIU-OAHLLOKOSA-N 2 2 371.478 0.910 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CC1 ZINC000568383512 491573283 /nfs/dbraw/zinc/57/32/83/491573283.db2.gz QBVYKFXIZWOEIU-OAHLLOKOSA-N 2 2 371.478 0.910 20 0 FCADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668426600 493351860 /nfs/dbraw/zinc/35/18/60/493351860.db2.gz RLBWQHFJSJEXSL-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000568508592 491581187 /nfs/dbraw/zinc/58/11/87/491581187.db2.gz ITXMSHONXKJKSQ-INMHGKMJSA-N 2 2 362.478 0.403 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000576100549 491581647 /nfs/dbraw/zinc/58/16/47/491581647.db2.gz PRAKYNBHWRVCAF-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1C ZINC000576100549 491581648 /nfs/dbraw/zinc/58/16/48/491581648.db2.gz PRAKYNBHWRVCAF-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c[nH+]1 ZINC000576133160 491583721 /nfs/dbraw/zinc/58/37/21/491583721.db2.gz VGDVPUMGADBUOG-MRXNPFEDSA-N 2 2 374.489 0.501 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000584400491 491586064 /nfs/dbraw/zinc/58/60/64/491586064.db2.gz OPXBVCBLXMKYEU-IAGOWNOFSA-N 2 2 365.522 0.857 20 0 FCADLP COC(=O)c1ccc(OCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000584427562 491590448 /nfs/dbraw/zinc/59/04/48/491590448.db2.gz BLIJTUCGRYQZJD-INMHGKMJSA-N 2 2 366.458 0.912 20 0 FCADLP CN(CCC[NH3+])C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000568649458 491596985 /nfs/dbraw/zinc/59/69/85/491596985.db2.gz RWYMZWPHAYWHHD-UHFFFAOYSA-N 2 2 357.458 0.939 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000561367829 491602481 /nfs/dbraw/zinc/60/24/81/491602481.db2.gz UAYBGWDCILKVHP-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000576357450 491608026 /nfs/dbraw/zinc/60/80/26/491608026.db2.gz OTQUUJLYHSTQMA-GFCCVEGCSA-N 2 2 370.392 0.963 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000576357450 491608028 /nfs/dbraw/zinc/60/80/28/491608028.db2.gz OTQUUJLYHSTQMA-GFCCVEGCSA-N 2 2 370.392 0.963 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000577269947 491608668 /nfs/dbraw/zinc/60/86/68/491608668.db2.gz YGUJWYGZLGYIDS-FGTMMUONSA-N 2 2 374.485 0.562 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000568852771 491614158 /nfs/dbraw/zinc/61/41/58/491614158.db2.gz RDKHAWHZKNYUKP-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000568852771 491614159 /nfs/dbraw/zinc/61/41/59/491614159.db2.gz RDKHAWHZKNYUKP-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000577373056 491616540 /nfs/dbraw/zinc/61/65/40/491616540.db2.gz GQZBYLRRNUQFPZ-ZWKOTPCHSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000577382238 491617539 /nfs/dbraw/zinc/61/75/39/491617539.db2.gz HBRWYGFVOKWOQU-QGZVFWFLSA-N 2 2 371.485 0.721 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2=O)c1 ZINC000577389189 491618060 /nfs/dbraw/zinc/61/80/60/491618060.db2.gz UBOVYQFAZBGSPG-XKQJLSEDSA-N 2 2 374.441 0.053 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2=O)c1 ZINC000577389189 491618063 /nfs/dbraw/zinc/61/80/63/491618063.db2.gz UBOVYQFAZBGSPG-XKQJLSEDSA-N 2 2 374.441 0.053 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2=O)c1 ZINC000577389191 491618125 /nfs/dbraw/zinc/61/81/25/491618125.db2.gz UBOVYQFAZBGSPG-XYPHTWIQSA-N 2 2 374.441 0.053 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2=O)c1 ZINC000577389191 491618128 /nfs/dbraw/zinc/61/81/28/491618128.db2.gz UBOVYQFAZBGSPG-XYPHTWIQSA-N 2 2 374.441 0.053 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568902176 491618464 /nfs/dbraw/zinc/61/84/64/491618464.db2.gz XPOFJWVNZQYUJJ-XHDPSFHLSA-N 2 2 368.840 0.681 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568902176 491618467 /nfs/dbraw/zinc/61/84/67/491618467.db2.gz XPOFJWVNZQYUJJ-XHDPSFHLSA-N 2 2 368.840 0.681 20 0 FCADLP [NH3+][C@H](CCC(=O)NCC(=O)NCC[NH+]1CCOCC1)CC1CCCCC1 ZINC000576516211 491621619 /nfs/dbraw/zinc/62/16/19/491621619.db2.gz LCAHTDJRZPICTM-QGZVFWFLSA-N 2 2 368.522 0.629 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)C1 ZINC000577445448 491623159 /nfs/dbraw/zinc/62/31/59/491623159.db2.gz YYBNPOUVONBPRO-AOIWGVFYSA-N 2 2 366.550 0.754 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C1 ZINC000577445448 491623162 /nfs/dbraw/zinc/62/31/62/491623162.db2.gz YYBNPOUVONBPRO-AOIWGVFYSA-N 2 2 366.550 0.754 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCOCC1 ZINC000577477983 491624811 /nfs/dbraw/zinc/62/48/11/491624811.db2.gz CBXVQDSOPSYGAO-XHSDSOJGSA-N 2 2 370.538 0.694 20 0 FCADLP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000576578727 491626362 /nfs/dbraw/zinc/62/63/62/491626362.db2.gz KNSWKCOTZHOYTK-ORPDJEOSSA-N 2 2 365.474 0.980 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC[N@H+]3CC=CCC3)ccn2)CC1 ZINC000577571101 491633299 /nfs/dbraw/zinc/63/32/99/491633299.db2.gz RTVUPSGCHMHAIO-UHFFFAOYSA-N 2 2 372.473 0.853 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC[N@@H+]3CC=CCC3)ccn2)CC1 ZINC000577571101 491633300 /nfs/dbraw/zinc/63/33/00/491633300.db2.gz RTVUPSGCHMHAIO-UHFFFAOYSA-N 2 2 372.473 0.853 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000577632663 491638290 /nfs/dbraw/zinc/63/82/90/491638290.db2.gz XUWCUVZGRHYCBS-HZPDHXFCSA-N 2 2 359.474 0.754 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577637703 491638947 /nfs/dbraw/zinc/63/89/47/491638947.db2.gz BGLCPDRTGFIYBS-AOIWGVFYSA-N 3 2 353.470 0.869 20 0 FCADLP OC[C@@H]1CSCC[NH+]1Cc1cncc(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000577706425 491644071 /nfs/dbraw/zinc/64/40/71/491644071.db2.gz RPMKKMRLHCQBKH-IAGOWNOFSA-N 2 2 369.556 0.901 20 0 FCADLP OC[C@@H]1CSCC[NH+]1Cc1cncc(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000577706425 491644075 /nfs/dbraw/zinc/64/40/75/491644075.db2.gz RPMKKMRLHCQBKH-IAGOWNOFSA-N 2 2 369.556 0.901 20 0 FCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000577724425 491645640 /nfs/dbraw/zinc/64/56/40/491645640.db2.gz RHLKLJSMRIVYKP-MSOLQXFVSA-N 2 2 362.474 0.738 20 0 FCADLP C[C@@]1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC[NH2+]C1 ZINC000577740951 491648133 /nfs/dbraw/zinc/64/81/33/491648133.db2.gz IVSWGASVKGDNQL-HNAYVOBHSA-N 2 2 374.489 0.398 20 0 FCADLP C[C@@]1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC[NH2+]C1 ZINC000577740951 491648135 /nfs/dbraw/zinc/64/81/35/491648135.db2.gz IVSWGASVKGDNQL-HNAYVOBHSA-N 2 2 374.489 0.398 20 0 FCADLP [NH3+]CC[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)F ZINC000576872672 491652337 /nfs/dbraw/zinc/65/23/37/491652337.db2.gz MZJJNXRSFKNPHO-ZDUSSCGKSA-N 2 2 369.416 0.609 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000562192564 491658325 /nfs/dbraw/zinc/65/83/25/491658325.db2.gz MITJXEGXYUAIDT-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000562192564 491658327 /nfs/dbraw/zinc/65/83/27/491658327.db2.gz MITJXEGXYUAIDT-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000562192564 491658330 /nfs/dbraw/zinc/65/83/30/491658330.db2.gz MITJXEGXYUAIDT-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000562192564 491658331 /nfs/dbraw/zinc/65/83/31/491658331.db2.gz MITJXEGXYUAIDT-HZPDHXFCSA-N 2 2 354.495 0.204 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(F)cc1 ZINC000577867171 491658793 /nfs/dbraw/zinc/65/87/93/491658793.db2.gz QMLQCZUYLXMHRM-JZXOWHBKSA-N 2 2 362.449 0.883 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc(F)cc1 ZINC000577867171 491658797 /nfs/dbraw/zinc/65/87/97/491658797.db2.gz QMLQCZUYLXMHRM-JZXOWHBKSA-N 2 2 362.449 0.883 20 0 FCADLP C[C@@]([NH3+])(C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000576988902 491662948 /nfs/dbraw/zinc/66/29/48/491662948.db2.gz GOKAPHFFEODEFB-IBGZPJMESA-N 2 2 354.458 0.961 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000578062762 491668975 /nfs/dbraw/zinc/66/89/75/491668975.db2.gz WVEUKKFGIFVZOW-GBESFXJTSA-N 2 2 370.497 0.835 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000578108228 491670099 /nfs/dbraw/zinc/67/00/99/491670099.db2.gz QIYSZORRSMXGLE-INIZCTEOSA-N 2 2 362.478 0.611 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000578108228 491670100 /nfs/dbraw/zinc/67/01/00/491670100.db2.gz QIYSZORRSMXGLE-INIZCTEOSA-N 2 2 362.478 0.611 20 0 FCADLP COCCCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000578334964 491674917 /nfs/dbraw/zinc/67/49/17/491674917.db2.gz CNZVTPIGONZUHD-MRXNPFEDSA-N 2 2 350.463 0.886 20 0 FCADLP COCCCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000578334964 491674918 /nfs/dbraw/zinc/67/49/18/491674918.db2.gz CNZVTPIGONZUHD-MRXNPFEDSA-N 2 2 350.463 0.886 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000578459807 491677671 /nfs/dbraw/zinc/67/76/71/491677671.db2.gz GEYCWXFSYPBSSX-CVEARBPZSA-N 2 2 363.462 0.101 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000578459807 491677672 /nfs/dbraw/zinc/67/76/72/491677672.db2.gz GEYCWXFSYPBSSX-CVEARBPZSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NC[C@H]1CCCn3cc[nH+]c31)CC[NH2+]CC2 ZINC000578498598 491678474 /nfs/dbraw/zinc/67/84/74/491678474.db2.gz AJPZEROBBGIHHQ-LSDHHAIUSA-N 2 2 359.474 0.867 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000578624349 491680985 /nfs/dbraw/zinc/68/09/85/491680985.db2.gz ADXPBDWBVVATPX-OAHLLOKOSA-N 2 2 352.866 0.951 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000578624349 491680986 /nfs/dbraw/zinc/68/09/86/491680986.db2.gz ADXPBDWBVVATPX-OAHLLOKOSA-N 2 2 352.866 0.951 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@@H](C[NH3+])C1 ZINC000579004723 491688927 /nfs/dbraw/zinc/68/89/27/491688927.db2.gz OKNFMQMVSFNKHT-WFASDCNBSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)[C@@H](C[NH3+])C1 ZINC000579004723 491688928 /nfs/dbraw/zinc/68/89/28/491688928.db2.gz OKNFMQMVSFNKHT-WFASDCNBSA-N 2 2 350.850 0.794 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000579021022 491689501 /nfs/dbraw/zinc/68/95/01/491689501.db2.gz SLAXAPCYZPNYFC-MRXNPFEDSA-N 2 2 371.441 0.325 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000579021022 491689502 /nfs/dbraw/zinc/68/95/02/491689502.db2.gz SLAXAPCYZPNYFC-MRXNPFEDSA-N 2 2 371.441 0.325 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)[C@@H](C[NH3+])C1 ZINC000579091464 491690601 /nfs/dbraw/zinc/69/06/01/491690601.db2.gz UUVPLCYLGMNBDO-ROUUACIJSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)[C@@H](C[NH3+])C1 ZINC000579091464 491690602 /nfs/dbraw/zinc/69/06/02/491690602.db2.gz UUVPLCYLGMNBDO-ROUUACIJSA-N 2 2 373.501 0.504 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@]3(CC[NH2+]C3)C1)C2 ZINC000579220597 491693296 /nfs/dbraw/zinc/69/32/96/491693296.db2.gz KGYQJJRMIJXTLF-IBGZPJMESA-N 2 2 359.474 0.640 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000579231007 491693607 /nfs/dbraw/zinc/69/36/07/491693607.db2.gz KVOKYDCTRRTZAR-STQMWFEESA-N 2 2 354.476 0.043 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccsc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000579342222 491695727 /nfs/dbraw/zinc/69/57/27/491695727.db2.gz XUQPKYBCMWFJJG-HZPDHXFCSA-N 2 2 362.499 0.460 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000579597996 491701272 /nfs/dbraw/zinc/70/12/72/491701272.db2.gz MNNWOHIIRLWTIQ-IYBDPMFKSA-N 2 2 360.458 0.307 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000579667929 491702575 /nfs/dbraw/zinc/70/25/75/491702575.db2.gz PRHRHLXFTVEDKR-UHFFFAOYSA-N 2 2 369.554 0.766 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000579667929 491702576 /nfs/dbraw/zinc/70/25/76/491702576.db2.gz PRHRHLXFTVEDKR-UHFFFAOYSA-N 2 2 369.554 0.766 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000579667929 491702577 /nfs/dbraw/zinc/70/25/77/491702577.db2.gz PRHRHLXFTVEDKR-UHFFFAOYSA-N 2 2 369.554 0.766 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000579667929 491702578 /nfs/dbraw/zinc/70/25/78/491702578.db2.gz PRHRHLXFTVEDKR-UHFFFAOYSA-N 2 2 369.554 0.766 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000579691607 491702951 /nfs/dbraw/zinc/70/29/51/491702951.db2.gz SRPNCKQHVNBHNR-CYBMUJFWSA-N 2 2 370.379 0.970 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000579701759 491703336 /nfs/dbraw/zinc/70/33/36/491703336.db2.gz HQDZTUJCJKHOHY-NXHRZFHOSA-N 2 2 371.485 0.355 20 0 FCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000579843845 491706581 /nfs/dbraw/zinc/70/65/81/491706581.db2.gz XYSVRZDHXPIOGK-INIZCTEOSA-N 3 2 360.502 0.995 20 0 FCADLP C[C@H](NCC1([NH3+])CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000579843845 491706582 /nfs/dbraw/zinc/70/65/82/491706582.db2.gz XYSVRZDHXPIOGK-INIZCTEOSA-N 2 2 360.502 0.995 20 0 FCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000579843846 491706648 /nfs/dbraw/zinc/70/66/48/491706648.db2.gz XYSVRZDHXPIOGK-MRXNPFEDSA-N 3 2 360.502 0.995 20 0 FCADLP C[C@@H](NCC1([NH3+])CCC1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000579843846 491706649 /nfs/dbraw/zinc/70/66/49/491706649.db2.gz XYSVRZDHXPIOGK-MRXNPFEDSA-N 2 2 360.502 0.995 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715402 /nfs/dbraw/zinc/71/54/02/491715402.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715403 /nfs/dbraw/zinc/71/54/03/491715403.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715405 /nfs/dbraw/zinc/71/54/05/491715405.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715407 /nfs/dbraw/zinc/71/54/07/491715407.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715409 /nfs/dbraw/zinc/71/54/09/491715409.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000584807888 491715411 /nfs/dbraw/zinc/71/54/11/491715411.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000584807888 491715413 /nfs/dbraw/zinc/71/54/13/491715413.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584807888 491715414 /nfs/dbraw/zinc/71/54/14/491715414.db2.gz SWQSRIQMVCXYGN-WOUAJJJCSA-N 3 2 368.566 0.291 20 0 FCADLP O[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580276600 491723814 /nfs/dbraw/zinc/72/38/14/491723814.db2.gz RFWBHEPEAIJBMF-SJORKVTESA-N 2 2 361.490 0.986 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCOCC2)cc1 ZINC000580347989 491727651 /nfs/dbraw/zinc/72/76/51/491727651.db2.gz VXIVEFUBRBGFLD-QGZVFWFLSA-N 2 2 358.446 0.349 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000588236799 491742904 /nfs/dbraw/zinc/74/29/04/491742904.db2.gz COYQIUAKRQRCFB-CYBMUJFWSA-N 2 2 354.520 0.283 20 0 FCADLP CSC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000588236799 491742905 /nfs/dbraw/zinc/74/29/05/491742905.db2.gz COYQIUAKRQRCFB-CYBMUJFWSA-N 2 2 354.520 0.283 20 0 FCADLP Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000580774769 491745331 /nfs/dbraw/zinc/74/53/31/491745331.db2.gz NZSHKFACYRZHFR-SFHVURJKSA-N 2 2 360.502 0.812 20 0 FCADLP CSC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588686090 491746107 /nfs/dbraw/zinc/74/61/07/491746107.db2.gz FQVKGYOJDNCEAC-HIFRSBDPSA-N 2 2 356.536 0.481 20 0 FCADLP CSC[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588686090 491746108 /nfs/dbraw/zinc/74/61/08/491746108.db2.gz FQVKGYOJDNCEAC-HIFRSBDPSA-N 2 2 356.536 0.481 20 0 FCADLP COCC[N@H+](C)CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000588982787 491752943 /nfs/dbraw/zinc/75/29/43/491752943.db2.gz QBFACFNJHBNNAZ-UHFFFAOYSA-N 2 2 364.490 0.971 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000588982787 491752944 /nfs/dbraw/zinc/75/29/44/491752944.db2.gz QBFACFNJHBNNAZ-UHFFFAOYSA-N 2 2 364.490 0.971 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])N2CCOCC2)o1 ZINC000581001059 491754913 /nfs/dbraw/zinc/75/49/13/491754913.db2.gz YVQUNVBYJLQSAS-HOTGVXAUSA-N 2 2 365.478 0.246 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])N2CCOCC2)o1 ZINC000581001059 491754914 /nfs/dbraw/zinc/75/49/14/491754914.db2.gz YVQUNVBYJLQSAS-HOTGVXAUSA-N 2 2 365.478 0.246 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000581034576 491756634 /nfs/dbraw/zinc/75/66/34/491756634.db2.gz HPTFNEBBBPWVHO-HNNXBMFYSA-N 2 2 365.478 0.222 20 0 FCADLP C[NH+]1CCC(CNC(=O)N2CCOC[C@@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000581236285 491765148 /nfs/dbraw/zinc/76/51/48/491765148.db2.gz VTGSTZYMDGJZOD-INIZCTEOSA-N 2 2 354.495 0.339 20 0 FCADLP CC1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000581241149 491765280 /nfs/dbraw/zinc/76/52/80/491765280.db2.gz SYXCEXDHJHTODS-HZPDHXFCSA-N 2 2 366.506 0.252 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000581247643 491765574 /nfs/dbraw/zinc/76/55/74/491765574.db2.gz MDULYWJZIUGCDK-INIZCTEOSA-N 2 2 358.446 0.258 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000581247643 491765575 /nfs/dbraw/zinc/76/55/75/491765575.db2.gz MDULYWJZIUGCDK-INIZCTEOSA-N 2 2 358.446 0.258 20 0 FCADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000581479510 491774711 /nfs/dbraw/zinc/77/47/11/491774711.db2.gz FXKWITYUGAFPAJ-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000581479510 491774713 /nfs/dbraw/zinc/77/47/13/491774713.db2.gz FXKWITYUGAFPAJ-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000590869278 491788021 /nfs/dbraw/zinc/78/80/21/491788021.db2.gz ODYADJOHZWDAJS-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000590869278 491788023 /nfs/dbraw/zinc/78/80/23/491788023.db2.gz ODYADJOHZWDAJS-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@@H](C)O1 ZINC000581880245 491788478 /nfs/dbraw/zinc/78/84/78/491788478.db2.gz YYZLSNDPHPCOSK-UHOVARLQSA-N 2 2 351.447 0.677 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000582016066 491794419 /nfs/dbraw/zinc/79/44/19/491794419.db2.gz DBJQZAZWMODYQF-HNNXBMFYSA-N 2 2 358.446 0.840 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000582116354 491798492 /nfs/dbraw/zinc/79/84/92/491798492.db2.gz YQPMFRREKMRHTL-KSZLIROESA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000582116354 491798494 /nfs/dbraw/zinc/79/84/94/491798494.db2.gz YQPMFRREKMRHTL-KSZLIROESA-N 2 2 356.470 0.570 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+](C)C1 ZINC000591224736 491799109 /nfs/dbraw/zinc/79/91/09/491799109.db2.gz FKSQHBISPKDKSS-NVXWUHKLSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+](C)C1 ZINC000591224736 491799112 /nfs/dbraw/zinc/79/91/12/491799112.db2.gz FKSQHBISPKDKSS-NVXWUHKLSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224736 491799113 /nfs/dbraw/zinc/79/91/13/491799113.db2.gz FKSQHBISPKDKSS-NVXWUHKLSA-N 2 2 360.458 0.609 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+](C)C1 ZINC000591224736 491799115 /nfs/dbraw/zinc/79/91/15/491799115.db2.gz FKSQHBISPKDKSS-NVXWUHKLSA-N 2 2 360.458 0.609 20 0 FCADLP CC[N@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1Cl ZINC000582312389 491806972 /nfs/dbraw/zinc/80/69/72/491806972.db2.gz WIFQONICKXMBAQ-GOEBONIOSA-N 2 2 364.877 0.932 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)Cc1ccccc1Cl ZINC000582312389 491806973 /nfs/dbraw/zinc/80/69/73/491806973.db2.gz WIFQONICKXMBAQ-GOEBONIOSA-N 2 2 364.877 0.932 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000582535972 491816584 /nfs/dbraw/zinc/81/65/84/491816584.db2.gz JWVGLWLHJZWNOK-INIZCTEOSA-N 2 2 359.474 0.465 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000582543578 491817010 /nfs/dbraw/zinc/81/70/10/491817010.db2.gz CHJFJGAZJMYMTO-MRXNPFEDSA-N 2 2 355.442 0.458 20 0 FCADLP CCNc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000582743210 491824883 /nfs/dbraw/zinc/82/48/83/491824883.db2.gz XEBHVQDPNXHJCV-UHFFFAOYSA-N 2 2 364.498 0.146 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CCN2C1=O ZINC000582856218 491829828 /nfs/dbraw/zinc/82/98/28/491829828.db2.gz FKVBNCPPAAKTFS-SJORKVTESA-N 2 2 368.441 0.385 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC000582866366 491830090 /nfs/dbraw/zinc/83/00/90/491830090.db2.gz WUJCMDGUWZAJMC-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](CCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCCCC1 ZINC000582866366 491830091 /nfs/dbraw/zinc/83/00/91/491830091.db2.gz WUJCMDGUWZAJMC-CVEARBPZSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC000582983515 491835372 /nfs/dbraw/zinc/83/53/72/491835372.db2.gz CSPDFGUISLNZIU-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCOc2cccc(C(F)(F)F)n2)[C@H](C[NH3+])C1 ZINC000583252324 491840830 /nfs/dbraw/zinc/84/08/30/491840830.db2.gz BPCRDOSBCMOIOC-LLVKDONJSA-N 2 2 361.368 0.764 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCOc2cccc(C(F)(F)F)n2)[C@H](C[NH3+])C1 ZINC000583252324 491840831 /nfs/dbraw/zinc/84/08/31/491840831.db2.gz BPCRDOSBCMOIOC-LLVKDONJSA-N 2 2 361.368 0.764 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839130 493366188 /nfs/dbraw/zinc/36/61/88/493366188.db2.gz WXEWVFKXEOJMHA-NVXWUHKLSA-N 2 2 358.490 0.730 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839130 493366191 /nfs/dbraw/zinc/36/61/91/493366191.db2.gz WXEWVFKXEOJMHA-NVXWUHKLSA-N 2 2 358.490 0.730 20 0 FCADLP [NH3+]CC1(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000583559451 491847514 /nfs/dbraw/zinc/84/75/14/491847514.db2.gz PJRIRAOMCQHUNR-UHFFFAOYSA-N 2 2 360.462 0.091 20 0 FCADLP [NH3+]CC1(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000583559451 491847515 /nfs/dbraw/zinc/84/75/15/491847515.db2.gz PJRIRAOMCQHUNR-UHFFFAOYSA-N 2 2 360.462 0.091 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000583587591 491848100 /nfs/dbraw/zinc/84/81/00/491848100.db2.gz SWKKPWITNJGABU-HZPDHXFCSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000583587591 491848101 /nfs/dbraw/zinc/84/81/01/491848101.db2.gz SWKKPWITNJGABU-HZPDHXFCSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583867639 491853541 /nfs/dbraw/zinc/85/35/41/491853541.db2.gz WXJMFCLSWWEPOP-FMKPAKJESA-N 2 2 371.503 0.202 20 0 FCADLP COC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C(=O)OC ZINC000583982473 491855847 /nfs/dbraw/zinc/85/58/47/491855847.db2.gz XEMRLKVMLCKTEU-LBPRGKRZSA-N 2 2 364.402 0.366 20 0 FCADLP COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C(=O)OC ZINC000583982473 491855848 /nfs/dbraw/zinc/85/58/48/491855848.db2.gz XEMRLKVMLCKTEU-LBPRGKRZSA-N 2 2 364.402 0.366 20 0 FCADLP O=C(CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000583988737 491856055 /nfs/dbraw/zinc/85/60/55/491856055.db2.gz ZLWBTQKYFXAHCJ-DLBZAZTESA-N 2 2 371.485 0.721 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000584021893 491856859 /nfs/dbraw/zinc/85/68/59/491856859.db2.gz ONXLMWOGIRJIFG-UHFFFAOYSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651605 491865798 /nfs/dbraw/zinc/86/57/98/491865798.db2.gz WPVGMVJOVCKXSO-PBHICJAKSA-N 2 2 371.485 0.897 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651605 491865799 /nfs/dbraw/zinc/86/57/99/491865799.db2.gz WPVGMVJOVCKXSO-PBHICJAKSA-N 2 2 371.485 0.897 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611692747 491868866 /nfs/dbraw/zinc/86/88/66/491868866.db2.gz WVLRAWBGOAFUDZ-HUUCEWRRSA-N 2 2 359.474 0.837 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611692747 491868868 /nfs/dbraw/zinc/86/88/68/491868868.db2.gz WVLRAWBGOAFUDZ-HUUCEWRRSA-N 2 2 359.474 0.837 20 0 FCADLP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611690150 491868936 /nfs/dbraw/zinc/86/89/36/491868936.db2.gz GXSRKGKCGAGVPQ-INIZCTEOSA-N 2 2 359.474 0.552 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874724 491869575 /nfs/dbraw/zinc/86/95/75/491869575.db2.gz QWZFWXZKKCGEHZ-SCDSUCTJSA-N 2 2 368.384 0.859 20 0 FCADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874724 491869576 /nfs/dbraw/zinc/86/95/76/491869576.db2.gz QWZFWXZKKCGEHZ-SCDSUCTJSA-N 2 2 368.384 0.859 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611838139 491877303 /nfs/dbraw/zinc/87/73/03/491877303.db2.gz GGZLZVJLKMIELI-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611838139 491877305 /nfs/dbraw/zinc/87/73/05/491877305.db2.gz GGZLZVJLKMIELI-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000600726352 491879229 /nfs/dbraw/zinc/87/92/29/491879229.db2.gz FOOMYXJAQIQFLS-OCCSQVGLSA-N 2 2 367.471 0.686 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000601293936 491902321 /nfs/dbraw/zinc/90/23/21/491902321.db2.gz MGWRXJQUONSLJK-JKQORVJESA-N 2 2 362.474 0.948 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000601293936 491902322 /nfs/dbraw/zinc/90/23/22/491902322.db2.gz MGWRXJQUONSLJK-JKQORVJESA-N 2 2 362.474 0.948 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442910 491917984 /nfs/dbraw/zinc/91/79/84/491917984.db2.gz CCYYLEHNJMKVEG-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442910 491917987 /nfs/dbraw/zinc/91/79/87/491917987.db2.gz CCYYLEHNJMKVEG-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612442910 491917989 /nfs/dbraw/zinc/91/79/89/491917989.db2.gz CCYYLEHNJMKVEG-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612442910 491917991 /nfs/dbraw/zinc/91/79/91/491917991.db2.gz CCYYLEHNJMKVEG-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000612484535 491924397 /nfs/dbraw/zinc/92/43/97/491924397.db2.gz GWDIVDMYQVBOKJ-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000612484535 491924400 /nfs/dbraw/zinc/92/44/00/491924400.db2.gz GWDIVDMYQVBOKJ-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000612484546 491924584 /nfs/dbraw/zinc/92/45/84/491924584.db2.gz GWDIVDMYQVBOKJ-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000612484546 491924587 /nfs/dbraw/zinc/92/45/87/491924587.db2.gz GWDIVDMYQVBOKJ-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000612550957 491933071 /nfs/dbraw/zinc/93/30/71/491933071.db2.gz BSSSIULXOVMACG-IBGZPJMESA-N 2 2 372.513 0.974 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000612550957 491933073 /nfs/dbraw/zinc/93/30/73/491933073.db2.gz BSSSIULXOVMACG-IBGZPJMESA-N 2 2 372.513 0.974 20 0 FCADLP COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nn1 ZINC000595471067 491934837 /nfs/dbraw/zinc/93/48/37/491934837.db2.gz VZRAZUHCCLTMIP-MRXNPFEDSA-N 2 2 351.451 0.180 20 0 FCADLP COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nn1 ZINC000595471067 491934838 /nfs/dbraw/zinc/93/48/38/491934838.db2.gz VZRAZUHCCLTMIP-MRXNPFEDSA-N 2 2 351.451 0.180 20 0 FCADLP COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)nn1 ZINC000595471066 491934875 /nfs/dbraw/zinc/93/48/75/491934875.db2.gz VZRAZUHCCLTMIP-INIZCTEOSA-N 2 2 351.451 0.180 20 0 FCADLP COC(=O)Cn1cc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)nn1 ZINC000595471066 491934876 /nfs/dbraw/zinc/93/48/76/491934876.db2.gz VZRAZUHCCLTMIP-INIZCTEOSA-N 2 2 351.451 0.180 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000612778264 491950202 /nfs/dbraw/zinc/95/02/02/491950202.db2.gz YTPSSZAQPPSYTL-QGZVFWFLSA-N 2 2 373.501 0.974 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612875270 491956384 /nfs/dbraw/zinc/95/63/84/491956384.db2.gz JZSVHICZDNDIAL-CQSZACIVSA-N 2 2 372.477 0.642 20 0 FCADLP C[C@@]1(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000612876873 491956710 /nfs/dbraw/zinc/95/67/10/491956710.db2.gz ZMZWXIYRZRQBFZ-GOSISDBHSA-N 2 2 360.462 0.172 20 0 FCADLP CC(C)CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200265 491967475 /nfs/dbraw/zinc/96/74/75/491967475.db2.gz IXNYZTZKEYYMPC-HOTGVXAUSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000602200265 491967476 /nfs/dbraw/zinc/96/74/76/491967476.db2.gz IXNYZTZKEYYMPC-HOTGVXAUSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204446 491967888 /nfs/dbraw/zinc/96/78/88/491967888.db2.gz IHACTVNQQBBCJK-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204446 491967890 /nfs/dbraw/zinc/96/78/90/491967890.db2.gz IHACTVNQQBBCJK-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)C2)CC1 ZINC000602372819 491981801 /nfs/dbraw/zinc/98/18/01/491981801.db2.gz PABLHTMQXUCXEK-IRXDYDNUSA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)C2)CC1 ZINC000602372819 491981802 /nfs/dbraw/zinc/98/18/02/491981802.db2.gz PABLHTMQXUCXEK-IRXDYDNUSA-N 2 2 353.511 0.127 20 0 FCADLP O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000613553303 491985767 /nfs/dbraw/zinc/98/57/67/491985767.db2.gz XZRGRTZKPBGYQS-OALUTQOASA-N 2 2 358.486 0.286 20 0 FCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000613553303 491985768 /nfs/dbraw/zinc/98/57/68/491985768.db2.gz XZRGRTZKPBGYQS-OALUTQOASA-N 3 2 358.486 0.286 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000602486071 491989234 /nfs/dbraw/zinc/98/92/34/491989234.db2.gz SCMWDPATNOHJIE-MJGOQNOKSA-N 2 2 362.522 0.915 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C[C@H]4CCOC4)nn3)C2)CC1 ZINC000602486071 491989235 /nfs/dbraw/zinc/98/92/35/491989235.db2.gz SCMWDPATNOHJIE-MJGOQNOKSA-N 2 2 362.522 0.915 20 0 FCADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000602593091 491993523 /nfs/dbraw/zinc/99/35/23/491993523.db2.gz IEILWQZTQBKHQE-HNNXBMFYSA-N 2 2 364.446 0.214 20 0 FCADLP O=C(NCC[NH+]1CC=CCC1)c1cc(C(=O)NCC[N@H+]2CC=CCC2)[nH]n1 ZINC000614260441 492021640 /nfs/dbraw/zinc/02/16/40/492021640.db2.gz WXAUJCZKTFJLHT-UHFFFAOYSA-N 2 2 372.473 0.393 20 0 FCADLP O=C(NCC[NH+]1CC=CCC1)c1cc(C(=O)NCC[N@@H+]2CC=CCC2)[nH]n1 ZINC000614260441 492021643 /nfs/dbraw/zinc/02/16/43/492021643.db2.gz WXAUJCZKTFJLHT-UHFFFAOYSA-N 2 2 372.473 0.393 20 0 FCADLP O=C(NCC[N@H+]1CC=CCC1)c1cc(C(=O)NCC[NH+]2CC=CCC2)[nH]n1 ZINC000614260441 492021646 /nfs/dbraw/zinc/02/16/46/492021646.db2.gz WXAUJCZKTFJLHT-UHFFFAOYSA-N 2 2 372.473 0.393 20 0 FCADLP O=C(NCC[N@@H+]1CC=CCC1)c1cc(C(=O)NCC[NH+]2CC=CCC2)[nH]n1 ZINC000614260441 492021648 /nfs/dbraw/zinc/02/16/48/492021648.db2.gz WXAUJCZKTFJLHT-UHFFFAOYSA-N 2 2 372.473 0.393 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H](O)C[N@H+](C)C3CC3)nn2)CC1 ZINC000603258753 492022543 /nfs/dbraw/zinc/02/25/43/492022543.db2.gz KKIRUEKUGVQGCX-QGZVFWFLSA-N 2 2 365.478 0.508 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H](O)C[N@@H+](C)C3CC3)nn2)CC1 ZINC000603258753 492022544 /nfs/dbraw/zinc/02/25/44/492022544.db2.gz KKIRUEKUGVQGCX-QGZVFWFLSA-N 2 2 365.478 0.508 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215719 492022679 /nfs/dbraw/zinc/02/26/79/492022679.db2.gz MJNOFHFQVRWOCN-GOEBONIOSA-N 2 2 353.463 0.430 20 0 FCADLP CCOC(=O)[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)=O ZINC000597215719 492022681 /nfs/dbraw/zinc/02/26/81/492022681.db2.gz MJNOFHFQVRWOCN-GOEBONIOSA-N 2 2 353.463 0.430 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000603291000 492024942 /nfs/dbraw/zinc/02/49/42/492024942.db2.gz DYRYSWZFGWWHSR-MRXNPFEDSA-N 2 2 355.508 0.313 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614440729 492030292 /nfs/dbraw/zinc/03/02/92/492030292.db2.gz PMBFLOHUIVARHI-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614440729 492030294 /nfs/dbraw/zinc/03/02/94/492030294.db2.gz PMBFLOHUIVARHI-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604180375 492052902 /nfs/dbraw/zinc/05/29/02/492052902.db2.gz IBPKLIHUVAHXQR-RHSMWYFYSA-N 2 2 354.520 0.730 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604180375 492052905 /nfs/dbraw/zinc/05/29/05/492052905.db2.gz IBPKLIHUVAHXQR-RHSMWYFYSA-N 2 2 354.520 0.730 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604180376 492053017 /nfs/dbraw/zinc/05/30/17/492053017.db2.gz IBPKLIHUVAHXQR-WMLDXEAASA-N 2 2 354.520 0.730 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604180376 492053018 /nfs/dbraw/zinc/05/30/18/492053018.db2.gz IBPKLIHUVAHXQR-WMLDXEAASA-N 2 2 354.520 0.730 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616134765 492118190 /nfs/dbraw/zinc/11/81/90/492118190.db2.gz BPEDSRZPOONMSE-UHFFFAOYSA-N 2 2 361.494 0.334 20 0 FCADLP C[C@H](NC(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700704 492127272 /nfs/dbraw/zinc/12/72/72/492127272.db2.gz OXDLDLKBCXZXEO-FUHWJXTLSA-N 2 2 367.538 0.375 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607245339 492142138 /nfs/dbraw/zinc/14/21/38/492142138.db2.gz LDZGLVJVDVOZKR-QGZVFWFLSA-N 4 2 368.570 0.290 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607245339 492142141 /nfs/dbraw/zinc/14/21/41/492142141.db2.gz LDZGLVJVDVOZKR-QGZVFWFLSA-N 4 2 368.570 0.290 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000616781645 492143539 /nfs/dbraw/zinc/14/35/39/492143539.db2.gz RGVQKHHUCSMJCN-HZPDHXFCSA-N 2 2 358.446 0.940 20 0 FCADLP CN1CC[N@H+](CCCNC(=O)CN2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000599307903 492158040 /nfs/dbraw/zinc/15/80/40/492158040.db2.gz IFVCEVMBIGLWJC-FQEVSTJZSA-N 2 2 373.545 0.729 20 0 FCADLP CN1CC[N@@H+](CCCNC(=O)CN2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000599307903 492158044 /nfs/dbraw/zinc/15/80/44/492158044.db2.gz IFVCEVMBIGLWJC-FQEVSTJZSA-N 2 2 373.545 0.729 20 0 FCADLP C[NH+]1CCN(CC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000599307903 492158046 /nfs/dbraw/zinc/15/80/46/492158046.db2.gz IFVCEVMBIGLWJC-FQEVSTJZSA-N 2 2 373.545 0.729 20 0 FCADLP C[NH+]1CCN(CC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000599307903 492158048 /nfs/dbraw/zinc/15/80/48/492158048.db2.gz IFVCEVMBIGLWJC-FQEVSTJZSA-N 2 2 373.545 0.729 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000608693573 492188113 /nfs/dbraw/zinc/18/81/13/492188113.db2.gz SZJDOZKPTJQVLV-HUUCEWRRSA-N 2 2 365.522 0.711 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000608704396 492188710 /nfs/dbraw/zinc/18/87/10/492188710.db2.gz PSYBSYDERRACCO-IJEWVQPXSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000608704396 492188714 /nfs/dbraw/zinc/18/87/14/492188714.db2.gz PSYBSYDERRACCO-IJEWVQPXSA-N 2 2 351.495 0.463 20 0 FCADLP Cc1ccnc2nc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)nn21 ZINC000619176523 492252391 /nfs/dbraw/zinc/25/23/91/492252391.db2.gz BWWHADMXMPATSW-UHFFFAOYSA-N 2 2 352.402 0.832 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488183 492274089 /nfs/dbraw/zinc/27/40/89/492274089.db2.gz GFDLPLGOSMANGF-DOTOQJQBSA-N 2 2 356.511 0.306 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000600488183 492274091 /nfs/dbraw/zinc/27/40/91/492274091.db2.gz GFDLPLGOSMANGF-DOTOQJQBSA-N 2 2 356.511 0.306 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000611088314 492277998 /nfs/dbraw/zinc/27/79/98/492277998.db2.gz PELZIOMHXNLZDS-HZPDHXFCSA-N 2 2 370.563 0.825 20 0 FCADLP CC[NH+]1CCN(C(=O)CSCC(=O)N2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000611088314 492277999 /nfs/dbraw/zinc/27/79/99/492277999.db2.gz PELZIOMHXNLZDS-HZPDHXFCSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453961 492301417 /nfs/dbraw/zinc/30/14/17/492301417.db2.gz CNMFGCZLCHUVIQ-MRXNPFEDSA-N 2 2 374.485 0.343 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453961 492301419 /nfs/dbraw/zinc/30/14/19/492301419.db2.gz CNMFGCZLCHUVIQ-MRXNPFEDSA-N 2 2 374.485 0.343 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641761480 492303090 /nfs/dbraw/zinc/30/30/90/492303090.db2.gz SQYVAJAWOKXKTK-IRXDYDNUSA-N 2 2 364.494 0.367 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641761480 492303092 /nfs/dbraw/zinc/30/30/92/492303092.db2.gz SQYVAJAWOKXKTK-IRXDYDNUSA-N 2 2 364.494 0.367 20 0 FCADLP c1nc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc2c1OCCO2 ZINC000641787685 492305042 /nfs/dbraw/zinc/30/50/42/492305042.db2.gz XXDLDANIYGFWIB-INIZCTEOSA-N 2 2 362.474 0.739 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C(C)(C)n1cncn1 ZINC000641786680 492305358 /nfs/dbraw/zinc/30/53/58/492305358.db2.gz QXMJELCFEPTAKT-SJORKVTESA-N 2 2 350.511 0.788 20 0 FCADLP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627463617 492306507 /nfs/dbraw/zinc/30/65/07/492306507.db2.gz CTFKHVWJOGDQHE-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627463617 492306512 /nfs/dbraw/zinc/30/65/12/492306512.db2.gz CTFKHVWJOGDQHE-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000654476341 492309998 /nfs/dbraw/zinc/30/99/98/492309998.db2.gz JVBISZFEKDKTPK-UHFFFAOYSA-N 2 2 370.501 0.997 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3cccn4c(=O)[nH]nc34)c2)CC1 ZINC000634193129 492324734 /nfs/dbraw/zinc/32/47/34/492324734.db2.gz COHRBGLFXYXBNC-UHFFFAOYSA-N 2 2 353.386 0.834 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCN3S(C)(=O)=O)c2)CC1 ZINC000634197784 492325951 /nfs/dbraw/zinc/32/59/51/492325951.db2.gz KJHNYWCFRZARLT-CQSZACIVSA-N 2 2 367.475 0.196 20 0 FCADLP C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194921 492326263 /nfs/dbraw/zinc/32/62/63/492326263.db2.gz YUOMFMDBFVPTPJ-MLGOLLRUSA-N 2 2 361.446 0.048 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)Nc1cc(N3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC000634195532 492326369 /nfs/dbraw/zinc/32/63/69/492326369.db2.gz CECBRNSAHRZCGH-CQSZACIVSA-N 2 2 355.446 0.934 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3ccc4n[nH]c(=O)n4c3)c2)CC1 ZINC000634196113 492326521 /nfs/dbraw/zinc/32/65/21/492326521.db2.gz LNLZRSBVGDASHX-UHFFFAOYSA-N 2 2 353.386 0.834 20 0 FCADLP CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194856 492326920 /nfs/dbraw/zinc/32/69/20/492326920.db2.gz WZXSFDBCTHUBDO-LBPRGKRZSA-N 2 2 355.464 0.100 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000642079114 492332145 /nfs/dbraw/zinc/33/21/45/492332145.db2.gz UYXYWAFFAVNALS-KRWDZBQOSA-N 2 2 374.485 0.343 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000642079114 492332150 /nfs/dbraw/zinc/33/21/50/492332150.db2.gz UYXYWAFFAVNALS-KRWDZBQOSA-N 2 2 374.485 0.343 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654728810 492344017 /nfs/dbraw/zinc/34/40/17/492344017.db2.gz BGNCNSZXZIEHDV-HUUCEWRRSA-N 2 2 351.495 0.594 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654728810 492344020 /nfs/dbraw/zinc/34/40/20/492344020.db2.gz BGNCNSZXZIEHDV-HUUCEWRRSA-N 2 2 351.495 0.594 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642257008 492346622 /nfs/dbraw/zinc/34/66/22/492346622.db2.gz GEPSVUJDWZGYPM-CQSZACIVSA-N 2 2 350.488 0.481 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642257008 492346624 /nfs/dbraw/zinc/34/66/24/492346624.db2.gz GEPSVUJDWZGYPM-CQSZACIVSA-N 2 2 350.488 0.481 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642293999 492348926 /nfs/dbraw/zinc/34/89/26/492348926.db2.gz NPKIYVAARIWJDE-LRDDRELGSA-N 2 2 359.430 0.036 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[NH2+]1 ZINC000642337440 492351949 /nfs/dbraw/zinc/35/19/49/492351949.db2.gz CKYACYWLVDMOMJ-GVDBMIGSSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000642337503 492353123 /nfs/dbraw/zinc/35/31/23/492353123.db2.gz RRTJDGCCBAZQRY-BRWVUGGUSA-N 2 2 368.522 0.578 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703077 492360235 /nfs/dbraw/zinc/36/02/35/492360235.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703077 492360240 /nfs/dbraw/zinc/36/02/40/492360240.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703077 492360243 /nfs/dbraw/zinc/36/02/43/492360243.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+](CCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703077 492360246 /nfs/dbraw/zinc/36/02/46/492360246.db2.gz PIQBBPHVKLFSMF-CTNGQTDRSA-N 3 2 374.529 0.800 20 0 FCADLP CNS(=O)(=O)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000621261884 492366571 /nfs/dbraw/zinc/36/65/71/492366571.db2.gz HVARCYRLKQRSOL-UHFFFAOYSA-N 3 2 360.568 0.664 20 0 FCADLP CNS(=O)(=O)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000621261884 492366577 /nfs/dbraw/zinc/36/65/77/492366577.db2.gz HVARCYRLKQRSOL-UHFFFAOYSA-N 3 2 360.568 0.664 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)[nH+]c12 ZINC000642638848 492368255 /nfs/dbraw/zinc/36/82/55/492368255.db2.gz KAMLKMCRSVAUAR-HIFRSBDPSA-N 2 2 373.457 0.531 20 0 FCADLP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000654928323 492381104 /nfs/dbraw/zinc/38/11/04/492381104.db2.gz KSNUVTZJYSJEJH-KRWDZBQOSA-N 2 2 371.547 0.357 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ncnn2CC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000647905672 492381124 /nfs/dbraw/zinc/38/11/24/492381124.db2.gz MNFJABIOBKNFAI-OLZOCXBDSA-N 2 2 356.421 0.623 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](Cc2ncnn2CC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000647905672 492381126 /nfs/dbraw/zinc/38/11/26/492381126.db2.gz MNFJABIOBKNFAI-OLZOCXBDSA-N 2 2 356.421 0.623 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926642 492383713 /nfs/dbraw/zinc/38/37/13/492383713.db2.gz HUEDGXOFYYIHNE-LBPRGKRZSA-N 2 2 366.487 0.425 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@@H]1[NH3+] ZINC000647938533 492385396 /nfs/dbraw/zinc/38/53/96/492385396.db2.gz OZXFSTFBFBJXJT-GJZGRUSLSA-N 2 2 362.474 0.963 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@@H]1[NH3+] ZINC000647938533 492385398 /nfs/dbraw/zinc/38/53/98/492385398.db2.gz OZXFSTFBFBJXJT-GJZGRUSLSA-N 2 2 362.474 0.963 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000642754803 492387117 /nfs/dbraw/zinc/38/71/17/492387117.db2.gz QOOMETUQSJXQPD-SJORKVTESA-N 2 2 373.501 0.311 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000642778921 492389582 /nfs/dbraw/zinc/38/95/82/492389582.db2.gz QFVNFEXRSWIWON-GJZGRUSLSA-N 2 2 359.474 0.815 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000642789159 492392481 /nfs/dbraw/zinc/39/24/81/492392481.db2.gz TXRXLPXTGHCLBC-GFOCRRMGSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000642789159 492392484 /nfs/dbraw/zinc/39/24/84/492392484.db2.gz TXRXLPXTGHCLBC-GFOCRRMGSA-N 2 2 356.470 0.794 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000642789297 492392857 /nfs/dbraw/zinc/39/28/57/492392857.db2.gz ZQSIXOTZZQNGOY-LEUOFYLZSA-N 2 2 356.470 0.875 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000642789297 492392858 /nfs/dbraw/zinc/39/28/58/492392858.db2.gz ZQSIXOTZZQNGOY-LEUOFYLZSA-N 2 2 356.470 0.875 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000642902152 492398956 /nfs/dbraw/zinc/39/89/56/492398956.db2.gz LLEGZSGFPCYGOZ-CQSZACIVSA-N 2 2 350.488 0.651 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642905281 492400482 /nfs/dbraw/zinc/40/04/82/492400482.db2.gz JQDPMMQZNDZRPE-RDJZCZTQSA-N 2 2 359.474 0.545 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642905280 492400817 /nfs/dbraw/zinc/40/08/17/492400817.db2.gz JQDPMMQZNDZRPE-NVXWUHKLSA-N 2 2 359.474 0.545 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000642910247 492402345 /nfs/dbraw/zinc/40/23/45/492402345.db2.gz BROIFVOSVZIQMQ-UAGQMJEPSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000642910247 492402348 /nfs/dbraw/zinc/40/23/48/492402348.db2.gz BROIFVOSVZIQMQ-UAGQMJEPSA-N 3 2 367.538 0.245 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642980443 492410193 /nfs/dbraw/zinc/41/01/93/492410193.db2.gz DKEUWGOYGUUFJP-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000622025475 492442121 /nfs/dbraw/zinc/44/21/21/492442121.db2.gz QRAJZZOKOOZBJG-YJBOKZPZSA-N 2 2 362.499 0.732 20 0 FCADLP O=C(CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000655446601 492443075 /nfs/dbraw/zinc/44/30/75/492443075.db2.gz XQYXKOVICXIRPR-UZLBHIALSA-N 2 2 371.485 0.626 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000643397663 492448032 /nfs/dbraw/zinc/44/80/32/492448032.db2.gz HNCWOCFQLLPFGA-IAGOWNOFSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000643397663 492448034 /nfs/dbraw/zinc/44/80/34/492448034.db2.gz HNCWOCFQLLPFGA-IAGOWNOFSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3Cc4cccc(F)c4C3)C2)CC1 ZINC000643397599 492448383 /nfs/dbraw/zinc/44/83/83/492448383.db2.gz CTOWXCOCDXEAAT-OAHLLOKOSA-N 2 2 374.460 0.953 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3Cc4cccc(F)c4C3)C2)CC1 ZINC000643397599 492448386 /nfs/dbraw/zinc/44/83/86/492448386.db2.gz CTOWXCOCDXEAAT-OAHLLOKOSA-N 2 2 374.460 0.953 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc2[nH]c1=O ZINC000635454552 492450532 /nfs/dbraw/zinc/45/05/32/492450532.db2.gz YSVAPIFOEHGWLJ-CQSZACIVSA-N 2 2 361.446 0.364 20 0 FCADLP C[NH+](C)CCn1c2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc2[nH]c1=O ZINC000635454552 492450534 /nfs/dbraw/zinc/45/05/34/492450534.db2.gz YSVAPIFOEHGWLJ-CQSZACIVSA-N 2 2 361.446 0.364 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552412 492456261 /nfs/dbraw/zinc/45/62/61/492456261.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552412 492456266 /nfs/dbraw/zinc/45/62/66/492456266.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552412 492456270 /nfs/dbraw/zinc/45/62/70/492456270.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552412 492456273 /nfs/dbraw/zinc/45/62/73/492456273.db2.gz XXVNDVILUJYISE-FUHWJXTLSA-N 3 2 367.538 0.301 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635544432 492467725 /nfs/dbraw/zinc/46/77/25/492467725.db2.gz RQNXXHNDLSFJGZ-UHFFFAOYSA-N 2 2 360.502 0.830 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635544432 492467730 /nfs/dbraw/zinc/46/77/30/492467730.db2.gz RQNXXHNDLSFJGZ-UHFFFAOYSA-N 2 2 360.502 0.830 20 0 FCADLP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551053 492468512 /nfs/dbraw/zinc/46/85/12/492468512.db2.gz JUYPEKGADWPSPG-GOSISDBHSA-N 3 2 366.550 0.972 20 0 FCADLP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551053 492468513 /nfs/dbraw/zinc/46/85/13/492468513.db2.gz JUYPEKGADWPSPG-GOSISDBHSA-N 3 2 366.550 0.972 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000643476975 492474319 /nfs/dbraw/zinc/47/43/19/492474319.db2.gz KVORILUBMHBNFS-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000643478738 492475551 /nfs/dbraw/zinc/47/55/51/492475551.db2.gz ACHQKZGLXCQQCQ-MRXNPFEDSA-N 2 2 374.485 0.468 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479291 492475588 /nfs/dbraw/zinc/47/55/88/492475588.db2.gz NINMOXWFFXFPJW-HZPDHXFCSA-N 2 2 362.499 0.460 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC[NH2+]1 ZINC000643516440 492487537 /nfs/dbraw/zinc/48/75/37/492487537.db2.gz CQAQVMBYJQFYMT-FUHWJXTLSA-N 2 2 373.501 0.743 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000643519215 492489100 /nfs/dbraw/zinc/48/91/00/492489100.db2.gz HDEGNMIYZFYPES-QXSJWSMHSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000643519215 492489104 /nfs/dbraw/zinc/48/91/04/492489104.db2.gz HDEGNMIYZFYPES-QXSJWSMHSA-N 2 2 354.495 0.140 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000643591614 492501657 /nfs/dbraw/zinc/50/16/57/492501657.db2.gz UOLNYLQZGSRIBI-MOPGFXCFSA-N 2 2 370.497 0.992 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649209869 492510961 /nfs/dbraw/zinc/51/09/61/492510961.db2.gz ZGIMPERKSUDRTG-OAHLLOKOSA-N 2 2 355.446 0.174 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(=O)NC1CCCC1 ZINC000649275145 492517519 /nfs/dbraw/zinc/51/75/19/492517519.db2.gz HZYTYULSQMFQKM-SFHVURJKSA-N 2 2 369.469 0.976 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCOC[C@H]1CCOC1 ZINC000649275135 492517888 /nfs/dbraw/zinc/51/78/88/492517888.db2.gz GUZFSRKOASZISN-HKUYNNGSSA-N 2 2 372.469 0.971 20 0 FCADLP CC[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000628585309 492525200 /nfs/dbraw/zinc/52/52/00/492525200.db2.gz XHBFXWWMNJGJMD-XHSDSOJGSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCO[C@@H](CC)C1 ZINC000628585309 492525204 /nfs/dbraw/zinc/52/52/04/492525204.db2.gz XHBFXWWMNJGJMD-XHSDSOJGSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@@H](CC)C1 ZINC000628585309 492525208 /nfs/dbraw/zinc/52/52/08/492525208.db2.gz XHBFXWWMNJGJMD-XHSDSOJGSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@@H](CC)C1 ZINC000628585309 492525211 /nfs/dbraw/zinc/52/52/11/492525211.db2.gz XHBFXWWMNJGJMD-XHSDSOJGSA-N 2 2 354.495 0.332 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC000635914747 492526257 /nfs/dbraw/zinc/52/62/57/492526257.db2.gz OEVWVOSLUAVPNR-HNNXBMFYSA-N 2 2 364.490 0.516 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccn1C1CC[NH2+]CC1 ZINC000649330723 492536783 /nfs/dbraw/zinc/53/67/83/492536783.db2.gz STSOSKQASBHVAV-UHFFFAOYSA-N 2 2 372.473 1.194 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000656075652 492536782 /nfs/dbraw/zinc/53/67/82/492536782.db2.gz QPDFIAUNIPJBCG-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000656075652 492536785 /nfs/dbraw/zinc/53/67/85/492536785.db2.gz QPDFIAUNIPJBCG-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075652 492536789 /nfs/dbraw/zinc/53/67/89/492536789.db2.gz QPDFIAUNIPJBCG-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000656075652 492536791 /nfs/dbraw/zinc/53/67/91/492536791.db2.gz QPDFIAUNIPJBCG-WCXIOVBPSA-N 2 2 368.522 0.399 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077854 492538960 /nfs/dbraw/zinc/53/89/60/492538960.db2.gz XRMGFYVKMNAEEW-QUSNUVHPSA-N 2 2 368.522 0.541 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077854 492538963 /nfs/dbraw/zinc/53/89/63/492538963.db2.gz XRMGFYVKMNAEEW-QUSNUVHPSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077854 492538967 /nfs/dbraw/zinc/53/89/67/492538967.db2.gz XRMGFYVKMNAEEW-QUSNUVHPSA-N 2 2 368.522 0.541 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000656077854 492538971 /nfs/dbraw/zinc/53/89/71/492538971.db2.gz XRMGFYVKMNAEEW-QUSNUVHPSA-N 2 2 368.522 0.541 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000636022752 492539746 /nfs/dbraw/zinc/53/97/46/492539746.db2.gz QNMRNFVBXQRHAM-UHFFFAOYSA-N 2 2 363.502 0.967 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000636022752 492539750 /nfs/dbraw/zinc/53/97/50/492539750.db2.gz QNMRNFVBXQRHAM-UHFFFAOYSA-N 2 2 363.502 0.967 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(F)(F)[C@@H](CO)C3)C2)CC1 ZINC000643717529 492540815 /nfs/dbraw/zinc/54/08/15/492540815.db2.gz QDRGJYHRHVZAGD-KGLIPLIRSA-N 2 2 360.449 0.814 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(F)(F)[C@@H](CO)C3)C2)CC1 ZINC000643717529 492540817 /nfs/dbraw/zinc/54/08/17/492540817.db2.gz QDRGJYHRHVZAGD-KGLIPLIRSA-N 2 2 360.449 0.814 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346734 492541395 /nfs/dbraw/zinc/54/13/95/492541395.db2.gz DYLCLUVAKWXVPV-UONOGXRCSA-N 2 2 358.433 0.386 20 0 FCADLP Fc1ccc(-n2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)nn2)cc1 ZINC000623420903 492552860 /nfs/dbraw/zinc/55/28/60/492552860.db2.gz RWYGKUAUMXXKPU-QGZVFWFLSA-N 2 2 374.464 0.903 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)NC2CC[NH+](CC)CC2)[C@@H]1c1[nH+]ccn1C ZINC000623543187 492565185 /nfs/dbraw/zinc/56/51/85/492565185.db2.gz BVWWKQJUEWBKKA-HZPDHXFCSA-N 2 2 363.462 0.309 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000636296097 492577999 /nfs/dbraw/zinc/57/79/99/492577999.db2.gz CPFXLCSPECNWLV-UHFFFAOYSA-N 2 2 359.518 0.796 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000636296097 492578003 /nfs/dbraw/zinc/57/80/03/492578003.db2.gz CPFXLCSPECNWLV-UHFFFAOYSA-N 2 2 359.518 0.796 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649763702 492581556 /nfs/dbraw/zinc/58/15/56/492581556.db2.gz AAWOHDVOXAHYTB-HZPDHXFCSA-N 2 2 353.488 0.474 20 0 FCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649763702 492581559 /nfs/dbraw/zinc/58/15/59/492581559.db2.gz AAWOHDVOXAHYTB-HZPDHXFCSA-N 2 2 353.488 0.474 20 0 FCADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629173047 492581979 /nfs/dbraw/zinc/58/19/79/492581979.db2.gz ATFSNSCDDALGOZ-CRAIPNDOSA-N 2 2 364.465 0.519 20 0 FCADLP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000629173047 492581983 /nfs/dbraw/zinc/58/19/83/492581983.db2.gz ATFSNSCDDALGOZ-CRAIPNDOSA-N 2 2 364.465 0.519 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[NH+](C)C)c1 ZINC000636463880 492592833 /nfs/dbraw/zinc/59/28/33/492592833.db2.gz NAWWFCQSIXUPTC-OAHLLOKOSA-N 2 2 359.430 0.796 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CCCC1 ZINC000636466033 492594028 /nfs/dbraw/zinc/59/40/28/492594028.db2.gz TZFMGJDQKPOBMT-IBGZPJMESA-N 2 2 368.522 0.776 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CCCC1 ZINC000636466033 492594034 /nfs/dbraw/zinc/59/40/34/492594034.db2.gz TZFMGJDQKPOBMT-IBGZPJMESA-N 2 2 368.522 0.776 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497901 492600718 /nfs/dbraw/zinc/60/07/18/492600718.db2.gz AXVDTPCSVVMUTP-QZTJIDSGSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000636497901 492600722 /nfs/dbraw/zinc/60/07/22/492600722.db2.gz AXVDTPCSVVMUTP-QZTJIDSGSA-N 2 2 362.474 0.426 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656357753 492612266 /nfs/dbraw/zinc/61/22/66/492612266.db2.gz HCGHDDJIEBFOOY-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656357753 492612269 /nfs/dbraw/zinc/61/22/69/492612269.db2.gz HCGHDDJIEBFOOY-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)c[nH+]2)CCO1 ZINC000636540512 492615115 /nfs/dbraw/zinc/61/51/15/492615115.db2.gz VVJMODZFOVQLOE-GOEBONIOSA-N 2 2 363.462 0.173 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)c[nH+]2)CCO1 ZINC000636540512 492615117 /nfs/dbraw/zinc/61/51/17/492615117.db2.gz VVJMODZFOVQLOE-GOEBONIOSA-N 2 2 363.462 0.173 20 0 FCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624228641 492628963 /nfs/dbraw/zinc/62/89/63/492628963.db2.gz XWLNHMUXFLBTDQ-WMLDXEAASA-N 2 2 353.488 0.944 20 0 FCADLP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623819 492641588 /nfs/dbraw/zinc/64/15/88/492641588.db2.gz GBQZNSHHDHHRBD-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000636623819 492641591 /nfs/dbraw/zinc/64/15/91/492641591.db2.gz GBQZNSHHDHHRBD-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000636623819 492641595 /nfs/dbraw/zinc/64/15/95/492641595.db2.gz GBQZNSHHDHHRBD-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP CC[NH+]1CCC[C@@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000636623819 492641598 /nfs/dbraw/zinc/64/15/98/492641598.db2.gz GBQZNSHHDHHRBD-QAPCUYQASA-N 2 2 354.495 0.386 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559369 492644437 /nfs/dbraw/zinc/64/44/37/492644437.db2.gz BFKVBBIMQZDKGJ-NEPJUHHUSA-N 2 2 361.430 0.401 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559369 492644439 /nfs/dbraw/zinc/64/44/39/492644439.db2.gz BFKVBBIMQZDKGJ-NEPJUHHUSA-N 2 2 361.430 0.401 20 0 FCADLP O[C@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629558669 492644530 /nfs/dbraw/zinc/64/45/30/492644530.db2.gz LSPKAMAUSBKRGX-LJQANCHMSA-N 3 2 363.502 0.944 20 0 FCADLP O[C@H](C[NH2+]Cc1cccc(OCCN2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629558669 492644533 /nfs/dbraw/zinc/64/45/33/492644533.db2.gz LSPKAMAUSBKRGX-LJQANCHMSA-N 2 2 363.502 0.944 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563485 492645412 /nfs/dbraw/zinc/64/54/12/492645412.db2.gz QXXYBSWZBNPQHO-MJBXVCDLSA-N 3 2 350.429 0.998 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629563485 492645414 /nfs/dbraw/zinc/64/54/14/492645414.db2.gz QXXYBSWZBNPQHO-MJBXVCDLSA-N 3 2 350.429 0.998 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563470 492645589 /nfs/dbraw/zinc/64/55/89/492645589.db2.gz QOVDIWJUFKEXGB-MROQNXINSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563470 492645593 /nfs/dbraw/zinc/64/55/93/492645593.db2.gz QOVDIWJUFKEXGB-MROQNXINSA-N 2 2 364.412 0.558 20 0 FCADLP O=S(=O)(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000629570914 492648688 /nfs/dbraw/zinc/64/86/88/492648688.db2.gz DQJXJVOCJPXJPR-NSHDSACASA-N 2 2 367.924 0.726 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C[C@H](C)O1 ZINC000650601220 492653683 /nfs/dbraw/zinc/65/36/83/492653683.db2.gz FBCVYYXSXHRYRJ-IJEWVQPXSA-N 2 2 354.495 0.335 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C[C@H](C)O1 ZINC000650601220 492653686 /nfs/dbraw/zinc/65/36/86/492653686.db2.gz FBCVYYXSXHRYRJ-IJEWVQPXSA-N 2 2 354.495 0.335 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C[C@H](C)O1 ZINC000650601220 492653690 /nfs/dbraw/zinc/65/36/90/492653690.db2.gz FBCVYYXSXHRYRJ-IJEWVQPXSA-N 2 2 354.495 0.335 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C[C@H](C)O1 ZINC000650601220 492653693 /nfs/dbraw/zinc/65/36/93/492653693.db2.gz FBCVYYXSXHRYRJ-IJEWVQPXSA-N 2 2 354.495 0.335 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000650697282 492662466 /nfs/dbraw/zinc/66/24/66/492662466.db2.gz YDJWFQZLFOLXBN-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636706928 492666741 /nfs/dbraw/zinc/66/67/41/492666741.db2.gz HDXRSFPGEXFNPS-OAHLLOKOSA-N 2 2 368.522 0.281 20 0 FCADLP CCC(O)(CC)CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636706928 492666745 /nfs/dbraw/zinc/66/67/45/492666745.db2.gz HDXRSFPGEXFNPS-OAHLLOKOSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707296 492667729 /nfs/dbraw/zinc/66/77/29/492667729.db2.gz KZLVERIVGZPNKT-NVXWUHKLSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000636707296 492667732 /nfs/dbraw/zinc/66/77/32/492667732.db2.gz KZLVERIVGZPNKT-NVXWUHKLSA-N 2 2 368.522 0.593 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000650812344 492669608 /nfs/dbraw/zinc/66/96/08/492669608.db2.gz CBZAHCQJPRXCCR-UHFFFAOYSA-N 2 2 372.510 0.087 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000650812344 492669613 /nfs/dbraw/zinc/66/96/13/492669613.db2.gz CBZAHCQJPRXCCR-UHFFFAOYSA-N 2 2 372.510 0.087 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000629795718 492675584 /nfs/dbraw/zinc/67/55/84/492675584.db2.gz LPZUDKNLDKUFJF-HNNXBMFYSA-N 2 2 362.474 0.708 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636747481 492681001 /nfs/dbraw/zinc/68/10/01/492681001.db2.gz PLRCCZFOSFQAKP-OAHLLOKOSA-N 2 2 363.510 0.907 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000629811176 492684433 /nfs/dbraw/zinc/68/44/33/492684433.db2.gz FJFDIWNHPXDTOQ-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000629811176 492684435 /nfs/dbraw/zinc/68/44/35/492684435.db2.gz FJFDIWNHPXDTOQ-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)CC2)c1 ZINC000629812556 492684939 /nfs/dbraw/zinc/68/49/39/492684939.db2.gz POCGCDYNEVCBLA-INIZCTEOSA-N 2 2 359.474 0.495 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793816 492695198 /nfs/dbraw/zinc/69/51/98/492695198.db2.gz GZKWEINQQKVCJG-DOMZBBRYSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1c(F)cccc1F ZINC000636793816 492695199 /nfs/dbraw/zinc/69/51/99/492695199.db2.gz GZKWEINQQKVCJG-DOMZBBRYSA-N 2 2 356.417 0.933 20 0 FCADLP C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000636813878 492701458 /nfs/dbraw/zinc/70/14/58/492701458.db2.gz JAOFHLFGRMLSBQ-KXBFYZLASA-N 2 2 368.522 0.632 20 0 FCADLP C[C@H](NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC[NH+](C)CC1 ZINC000636813878 492701462 /nfs/dbraw/zinc/70/14/62/492701462.db2.gz JAOFHLFGRMLSBQ-KXBFYZLASA-N 2 2 368.522 0.632 20 0 FCADLP CCC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636851106 492709714 /nfs/dbraw/zinc/70/97/14/492709714.db2.gz ZNYDUHKXJNFTPN-LJQANCHMSA-N 2 2 368.522 0.776 20 0 FCADLP CCC[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636851106 492709716 /nfs/dbraw/zinc/70/97/16/492709716.db2.gz ZNYDUHKXJNFTPN-LJQANCHMSA-N 2 2 368.522 0.776 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000651142479 492714261 /nfs/dbraw/zinc/71/42/61/492714261.db2.gz MYPQEVKZECLEMZ-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP COc1cc(OC)cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657090863 492714395 /nfs/dbraw/zinc/71/43/95/492714395.db2.gz JBBHVXDPMRUPLI-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP COc1cc(OC)cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657090863 492714396 /nfs/dbraw/zinc/71/43/96/492714396.db2.gz JBBHVXDPMRUPLI-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000630021929 492718673 /nfs/dbraw/zinc/71/86/73/492718673.db2.gz ZQTRWWVETVKRKW-VQIMIIECSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000630021929 492718677 /nfs/dbraw/zinc/71/86/77/492718677.db2.gz ZQTRWWVETVKRKW-VQIMIIECSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630021929 492718681 /nfs/dbraw/zinc/71/86/81/492718681.db2.gz ZQTRWWVETVKRKW-VQIMIIECSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630021929 492718684 /nfs/dbraw/zinc/71/86/84/492718684.db2.gz ZQTRWWVETVKRKW-VQIMIIECSA-N 2 2 353.507 0.983 20 0 FCADLP CCN1C[C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313488 492740303 /nfs/dbraw/zinc/74/03/03/492740303.db2.gz DFIOQUNFEWWIPL-WBVHZDCISA-N 2 2 365.522 0.665 20 0 FCADLP CCN1C[C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313488 492740307 /nfs/dbraw/zinc/74/03/07/492740307.db2.gz DFIOQUNFEWWIPL-WBVHZDCISA-N 2 2 365.522 0.665 20 0 FCADLP CC(=O)NC[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636987195 492743597 /nfs/dbraw/zinc/74/35/97/492743597.db2.gz MAVPKNGADPDKHA-QGZVFWFLSA-N 2 2 353.511 0.713 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630394603 492745657 /nfs/dbraw/zinc/74/56/57/492745657.db2.gz JAHJZBGAPAIQRR-RHSMWYFYSA-N 2 2 351.451 0.187 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630394603 492745662 /nfs/dbraw/zinc/74/56/62/492745662.db2.gz JAHJZBGAPAIQRR-RHSMWYFYSA-N 2 2 351.451 0.187 20 0 FCADLP C[NH+]1CCC(C[NH2+]Cc2nnn(C(C)(C)C)n2)(N2CCOCC2)CC1 ZINC000657490307 492752390 /nfs/dbraw/zinc/75/23/90/492752390.db2.gz INKOVKRSXPLDAC-UHFFFAOYSA-N 2 2 351.499 0.314 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000657529066 492758074 /nfs/dbraw/zinc/75/80/74/492758074.db2.gz HLOHSQYRRMEONG-MRXNPFEDSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000630747706 492771741 /nfs/dbraw/zinc/77/17/41/492771741.db2.gz VDOVGHBOTZKNLI-FPCVCCKLSA-N 2 2 358.446 0.815 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528524 492782865 /nfs/dbraw/zinc/78/28/65/492782865.db2.gz GLYNVFHKXCNIIK-IRXDYDNUSA-N 2 2 355.504 0.493 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528524 492782868 /nfs/dbraw/zinc/78/28/68/492782868.db2.gz GLYNVFHKXCNIIK-IRXDYDNUSA-N 2 2 355.504 0.493 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1cccs1 ZINC000644569125 492786024 /nfs/dbraw/zinc/78/60/24/492786024.db2.gz JXLRCGGKVXVTBY-DLBZAZTESA-N 2 2 369.531 0.622 20 0 FCADLP Cc1nocc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000630943376 492787907 /nfs/dbraw/zinc/78/79/07/492787907.db2.gz QLPLOOHBBULIFA-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000657745117 492788929 /nfs/dbraw/zinc/78/89/29/492788929.db2.gz NOFKRYZNVZLOGF-QGZVFWFLSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750181 492789655 /nfs/dbraw/zinc/78/96/55/492789655.db2.gz CIWZBFUYAVXCIM-KRWDZBQOSA-N 2 2 363.506 0.908 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610943 492791282 /nfs/dbraw/zinc/79/12/82/492791282.db2.gz AEFGFURJCAYXJY-JZXOWHBKSA-N 3 2 366.506 0.582 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610943 492791284 /nfs/dbraw/zinc/79/12/84/492791284.db2.gz AEFGFURJCAYXJY-JZXOWHBKSA-N 3 2 366.506 0.582 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)C[C@H](C)O1 ZINC000644640984 492795408 /nfs/dbraw/zinc/79/54/08/492795408.db2.gz MHAHJFXLSILFJU-HLLBOEOZSA-N 2 2 360.462 0.265 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)C[C@H](C)O1 ZINC000644640984 492795409 /nfs/dbraw/zinc/79/54/09/492795409.db2.gz MHAHJFXLSILFJU-HLLBOEOZSA-N 2 2 360.462 0.265 20 0 FCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631099773 492797789 /nfs/dbraw/zinc/79/77/89/492797789.db2.gz LDGXKQYVNDFXHR-IBGZPJMESA-N 3 2 351.491 0.800 20 0 FCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000631099773 492797794 /nfs/dbraw/zinc/79/77/94/492797794.db2.gz LDGXKQYVNDFXHR-IBGZPJMESA-N 2 2 351.491 0.800 20 0 FCADLP CC[NH+]1CCC(NC(=O)CN2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)CC1 ZINC000625501088 492802620 /nfs/dbraw/zinc/80/26/20/492802620.db2.gz CMTUDKULVIUGHK-LJQANCHMSA-N 2 2 371.489 0.691 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](n4ccnn4)C3)C2)CC1 ZINC000644936021 492830574 /nfs/dbraw/zinc/83/05/74/492830574.db2.gz ZKZQJRFMVGQJGA-DOTOQJQBSA-N 2 2 361.494 0.793 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H](n4ccnn4)C3)C2)CC1 ZINC000644936021 492830576 /nfs/dbraw/zinc/83/05/76/492830576.db2.gz ZKZQJRFMVGQJGA-DOTOQJQBSA-N 2 2 361.494 0.793 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000644954247 492833381 /nfs/dbraw/zinc/83/33/81/492833381.db2.gz NQYGHWUXIDUMIY-GJZGRUSLSA-N 2 2 355.446 0.726 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000644954247 492833385 /nfs/dbraw/zinc/83/33/85/492833385.db2.gz NQYGHWUXIDUMIY-GJZGRUSLSA-N 2 2 355.446 0.726 20 0 FCADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000631785327 492851921 /nfs/dbraw/zinc/85/19/21/492851921.db2.gz FZYOIWNBUFRHKH-HNNXBMFYSA-N 2 2 363.549 0.208 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000637861189 492871159 /nfs/dbraw/zinc/87/11/59/492871159.db2.gz GPBBFWBEDRMQQJ-KBPBESRZSA-N 2 2 351.451 0.152 20 0 FCADLP NC(=O)CN1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637880888 492873703 /nfs/dbraw/zinc/87/37/03/492873703.db2.gz AUUFUFXKXUECEW-UHFFFAOYSA-N 2 2 362.474 0.001 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@H](C)CO1 ZINC000658420150 492879876 /nfs/dbraw/zinc/87/98/76/492879876.db2.gz LDTGQQVWFUBSCN-ZIAGYGMSSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)[C@H](C)CO1 ZINC000658420150 492879878 /nfs/dbraw/zinc/87/98/78/492879878.db2.gz LDTGQQVWFUBSCN-ZIAGYGMSSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000658427082 492885439 /nfs/dbraw/zinc/88/54/39/492885439.db2.gz XXZZDUPHHPFAMA-LSDHHAIUSA-N 2 2 362.474 0.912 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000658427082 492885441 /nfs/dbraw/zinc/88/54/41/492885441.db2.gz XXZZDUPHHPFAMA-LSDHHAIUSA-N 2 2 362.474 0.912 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000658439799 492890990 /nfs/dbraw/zinc/89/09/90/492890990.db2.gz UBJKWTLZYHGQLH-INIZCTEOSA-N 2 2 355.442 0.769 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000658439799 492890992 /nfs/dbraw/zinc/89/09/92/492890992.db2.gz UBJKWTLZYHGQLH-INIZCTEOSA-N 2 2 355.442 0.769 20 0 FCADLP CCN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000625852461 492894856 /nfs/dbraw/zinc/89/48/56/492894856.db2.gz HRRUAXQNCVACDC-UHFFFAOYSA-N 2 2 369.491 0.435 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nn1 ZINC000645359146 492898501 /nfs/dbraw/zinc/89/85/01/492898501.db2.gz SCGVUXNOAYIANY-SFHVURJKSA-N 2 2 372.473 0.820 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)cc1F ZINC000638082222 492902333 /nfs/dbraw/zinc/90/23/33/492902333.db2.gz GHYTYGSOSMUKEW-GFCCVEGCSA-N 2 2 359.405 0.756 20 0 FCADLP C[C@H]([C@H](C)NC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)[NH+]1CCOCC1 ZINC000638101229 492905403 /nfs/dbraw/zinc/90/54/03/492905403.db2.gz OTYNQWGLEPNNCX-QJPTWQEYSA-N 2 2 372.420 0.589 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652314031 492909374 /nfs/dbraw/zinc/90/93/74/492909374.db2.gz RDLFIPAPGDEMMS-AWEZNQCLSA-N 2 2 351.495 0.370 20 0 FCADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1CC[NH3+] ZINC000652353498 492914399 /nfs/dbraw/zinc/91/43/99/492914399.db2.gz LYKOJXLNYCIHQP-SWLSCSKDSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1CC[NH3+] ZINC000652353498 492914401 /nfs/dbraw/zinc/91/44/01/492914401.db2.gz LYKOJXLNYCIHQP-SWLSCSKDSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350962 492914944 /nfs/dbraw/zinc/91/49/44/492914944.db2.gz BGOPGEDUMPOYSE-IGCXYCKISA-N 2 2 366.487 0.722 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350962 492914951 /nfs/dbraw/zinc/91/49/51/492914951.db2.gz BGOPGEDUMPOYSE-IGCXYCKISA-N 2 2 366.487 0.722 20 0 FCADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181182 492922435 /nfs/dbraw/zinc/92/24/35/492922435.db2.gz XJUDZKPIIHPKTB-QFBILLFUSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638181182 492922440 /nfs/dbraw/zinc/92/24/40/492922440.db2.gz XJUDZKPIIHPKTB-QFBILLFUSA-N 2 2 350.459 0.979 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000652391761 492922466 /nfs/dbraw/zinc/92/24/66/492922466.db2.gz KPFQMLFSIYCBEA-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000638216222 492923128 /nfs/dbraw/zinc/92/31/28/492923128.db2.gz GUOYINOOYAIAAV-BPUTZDHNSA-N 2 2 363.462 0.296 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)N1CC[NH2+]CC1=O ZINC000638296111 492929683 /nfs/dbraw/zinc/92/96/83/492929683.db2.gz GBLUPJRERKTHAM-KBPBESRZSA-N 2 2 350.488 0.774 20 0 FCADLP CCC[C@H](C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000638370203 492940828 /nfs/dbraw/zinc/94/08/28/492940828.db2.gz JONBWOXHWOTOEJ-MRXNPFEDSA-N 2 2 370.519 0.938 20 0 FCADLP Cc1cccn2cc(CNS(=O)(=O)CCCN3CC[NH+](C)CC3)[nH+]c12 ZINC000632166352 492942811 /nfs/dbraw/zinc/94/28/11/492942811.db2.gz LMAVNOPSYQGCND-UHFFFAOYSA-N 2 2 365.503 0.700 20 0 FCADLP C[NH+]1CCN(c2ccc(NCc3ccc(S(N)(=O)=O)cc3)[nH+]c2)CC1 ZINC000638399259 492943014 /nfs/dbraw/zinc/94/30/14/492943014.db2.gz PVQCFHMWKIBQKE-UHFFFAOYSA-N 2 2 361.471 1.093 20 0 FCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000638446942 492948895 /nfs/dbraw/zinc/94/88/95/492948895.db2.gz XDIOWBJXMRXLGS-CGTJXYLNSA-N 2 2 365.474 0.071 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638480832 492952758 /nfs/dbraw/zinc/95/27/58/492952758.db2.gz BBNPOKLVAHBURE-INIZCTEOSA-N 2 2 368.503 0.366 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638480832 492952760 /nfs/dbraw/zinc/95/27/60/492952760.db2.gz BBNPOKLVAHBURE-INIZCTEOSA-N 2 2 368.503 0.366 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645692118 492960719 /nfs/dbraw/zinc/96/07/19/492960719.db2.gz ODLHXWYKTWEYPF-JZXOWHBKSA-N 2 2 353.532 0.946 20 0 FCADLP C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638615953 492965757 /nfs/dbraw/zinc/96/57/57/492965757.db2.gz KCMDMSXDWAVNDY-HOCLYGCPSA-N 2 2 350.438 0.441 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658626221 492986287 /nfs/dbraw/zinc/98/62/87/492986287.db2.gz MUABJWOLHNWDTN-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658626221 492986289 /nfs/dbraw/zinc/98/62/89/492986289.db2.gz MUABJWOLHNWDTN-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906453 492986364 /nfs/dbraw/zinc/98/63/64/492986364.db2.gz TUFZZWHWRQGZAU-ZWKOTPCHSA-N 2 2 370.457 0.411 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)nn1 ZINC000638906453 492986366 /nfs/dbraw/zinc/98/63/66/492986366.db2.gz TUFZZWHWRQGZAU-ZWKOTPCHSA-N 2 2 370.457 0.411 20 0 FCADLP CNC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000638977885 492989695 /nfs/dbraw/zinc/98/96/95/492989695.db2.gz XXBOTCMCGNYJGV-SFHVURJKSA-N 2 2 363.458 0.344 20 0 FCADLP CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000638977885 492989698 /nfs/dbraw/zinc/98/96/98/492989698.db2.gz XXBOTCMCGNYJGV-SFHVURJKSA-N 2 2 363.458 0.344 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000652696207 492992975 /nfs/dbraw/zinc/99/29/75/492992975.db2.gz IHRXLIISBGUIHO-ROUUACIJSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](Cc2ccccc2)C1 ZINC000652696207 492992976 /nfs/dbraw/zinc/99/29/76/492992976.db2.gz IHRXLIISBGUIHO-ROUUACIJSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000632458038 493002110 /nfs/dbraw/zinc/00/21/10/493002110.db2.gz UVTFMLKAMUGEFA-QLFBSQMISA-N 2 2 363.462 0.468 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000632458038 493002113 /nfs/dbraw/zinc/00/21/13/493002113.db2.gz UVTFMLKAMUGEFA-QLFBSQMISA-N 2 2 363.462 0.468 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537193 493018358 /nfs/dbraw/zinc/01/83/58/493018358.db2.gz XRTHWABWCTYZPR-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537193 493018362 /nfs/dbraw/zinc/01/83/62/493018362.db2.gz XRTHWABWCTYZPR-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639537193 493018365 /nfs/dbraw/zinc/01/83/65/493018365.db2.gz XRTHWABWCTYZPR-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639537193 493018369 /nfs/dbraw/zinc/01/83/69/493018369.db2.gz XRTHWABWCTYZPR-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)CC2 ZINC000646211982 493028715 /nfs/dbraw/zinc/02/87/15/493028715.db2.gz IWIYYQSKFMBKOB-OAHLLOKOSA-N 2 2 351.447 0.101 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)CC2 ZINC000646211982 493028719 /nfs/dbraw/zinc/02/87/19/493028719.db2.gz IWIYYQSKFMBKOB-OAHLLOKOSA-N 2 2 351.447 0.101 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703083 493035525 /nfs/dbraw/zinc/03/55/25/493035525.db2.gz XSVGEKCILHRULG-GOEBONIOSA-N 2 2 350.463 0.597 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703083 493035530 /nfs/dbraw/zinc/03/55/30/493035530.db2.gz XSVGEKCILHRULG-GOEBONIOSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703083 493035533 /nfs/dbraw/zinc/03/55/33/493035533.db2.gz XSVGEKCILHRULG-GOEBONIOSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703083 493035535 /nfs/dbraw/zinc/03/55/35/493035535.db2.gz XSVGEKCILHRULG-GOEBONIOSA-N 2 2 350.463 0.597 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703085 493035751 /nfs/dbraw/zinc/03/57/51/493035751.db2.gz XSVGEKCILHRULG-ZBFHGGJFSA-N 2 2 350.463 0.597 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703085 493035753 /nfs/dbraw/zinc/03/57/53/493035753.db2.gz XSVGEKCILHRULG-ZBFHGGJFSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703085 493035756 /nfs/dbraw/zinc/03/57/56/493035756.db2.gz XSVGEKCILHRULG-ZBFHGGJFSA-N 2 2 350.463 0.597 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000639703085 493035758 /nfs/dbraw/zinc/03/57/58/493035758.db2.gz XSVGEKCILHRULG-ZBFHGGJFSA-N 2 2 350.463 0.597 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000639806294 493052382 /nfs/dbraw/zinc/05/23/82/493052382.db2.gz YTHCIHVHVSNIEN-INIZCTEOSA-N 2 2 364.490 0.939 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000639806294 493052386 /nfs/dbraw/zinc/05/23/86/493052386.db2.gz YTHCIHVHVSNIEN-INIZCTEOSA-N 2 2 364.490 0.939 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639850026 493055535 /nfs/dbraw/zinc/05/55/35/493055535.db2.gz AMSIWQFYOZPJIO-UYAOXDASSA-N 2 2 361.486 0.457 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639850026 493055537 /nfs/dbraw/zinc/05/55/37/493055537.db2.gz AMSIWQFYOZPJIO-UYAOXDASSA-N 2 2 361.486 0.457 20 0 FCADLP CN(CCOCC[NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626924625 493063611 /nfs/dbraw/zinc/06/36/11/493063611.db2.gz BHOPXAOGMFZCCI-KRWDZBQOSA-N 2 2 350.463 0.677 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000626922251 493064126 /nfs/dbraw/zinc/06/41/26/493064126.db2.gz SILCOZFRTQLQIQ-HUUCEWRRSA-N 2 2 367.519 0.324 20 0 FCADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1OCC(=O)N(C)C ZINC000653069252 493066226 /nfs/dbraw/zinc/06/62/26/493066226.db2.gz HUXHBACZFAQWGA-HZPDHXFCSA-N 2 2 364.490 1.000 20 0 FCADLP CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653067724 493066361 /nfs/dbraw/zinc/06/63/61/493066361.db2.gz JOJFVDJGLLUYKC-INIZCTEOSA-N 2 2 362.474 0.649 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000653080919 493067855 /nfs/dbraw/zinc/06/78/55/493067855.db2.gz ZIMKBVSJEJICJC-INIZCTEOSA-N 2 2 350.438 0.318 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000653080775 493067918 /nfs/dbraw/zinc/06/79/18/493067918.db2.gz SKBQAQZJQUWJFA-CQSZACIVSA-N 2 2 354.401 0.528 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000653085720 493068725 /nfs/dbraw/zinc/06/87/25/493068725.db2.gz VTLOGSKZIRBUDW-OAHLLOKOSA-N 2 2 354.401 0.528 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000653084881 493068862 /nfs/dbraw/zinc/06/88/62/493068862.db2.gz WBHSDRXOYDOSAS-OAHLLOKOSA-N 2 2 357.458 0.731 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000653088018 493068908 /nfs/dbraw/zinc/06/89/08/493068908.db2.gz OKGOCEBNTCJQFJ-SFHVURJKSA-N 2 2 360.502 0.863 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000653089308 493068936 /nfs/dbraw/zinc/06/89/36/493068936.db2.gz FCZHKEWXFTVOOE-MSOLQXFVSA-N 2 2 373.501 0.215 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000653089309 493069064 /nfs/dbraw/zinc/06/90/64/493069064.db2.gz FCZHKEWXFTVOOE-QZTJIDSGSA-N 2 2 373.501 0.215 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2=O)c1 ZINC000653100756 493069767 /nfs/dbraw/zinc/06/97/67/493069767.db2.gz XRTZNUFWDKMULO-CVEARBPZSA-N 2 2 364.446 0.204 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000653104996 493070608 /nfs/dbraw/zinc/07/06/08/493070608.db2.gz AJJXQOZPZBVJBU-DLBZAZTESA-N 2 2 352.454 0.594 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000653112200 493071884 /nfs/dbraw/zinc/07/18/84/493071884.db2.gz PUAJZDBNGAANGA-QGZVFWFLSA-N 3 2 361.490 0.221 20 0 FCADLP C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)C1 ZINC000653116756 493073055 /nfs/dbraw/zinc/07/30/55/493073055.db2.gz QZTOIGQGUKTYTF-ZACQAIPSSA-N 2 2 367.538 0.105 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115087 493073185 /nfs/dbraw/zinc/07/31/85/493073185.db2.gz CBHFQZBVPFIANI-WBVHZDCISA-N 3 2 361.490 0.601 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000653115087 493073189 /nfs/dbraw/zinc/07/31/89/493073189.db2.gz CBHFQZBVPFIANI-WBVHZDCISA-N 3 2 361.490 0.601 20 0 FCADLP CCN(CC[NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000626977129 493073440 /nfs/dbraw/zinc/07/34/40/493073440.db2.gz VTRBWVLICQHGHV-UHFFFAOYSA-N 2 2 353.511 0.701 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000653117884 493073810 /nfs/dbraw/zinc/07/38/10/493073810.db2.gz YLBMQWYWVWGRAR-IBGZPJMESA-N 3 2 361.534 0.542 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000653117884 493073815 /nfs/dbraw/zinc/07/38/15/493073815.db2.gz YLBMQWYWVWGRAR-IBGZPJMESA-N 3 2 361.534 0.542 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653117555 493074327 /nfs/dbraw/zinc/07/43/27/493074327.db2.gz OYVSWXBSFUIKNQ-HRCADAONSA-N 2 2 354.495 0.189 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653124278 493075374 /nfs/dbraw/zinc/07/53/74/493075374.db2.gz WNOGJLCPFUJBHC-GUYCJALGSA-N 2 2 350.463 0.678 20 0 FCADLP COCCOc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653153509 493078194 /nfs/dbraw/zinc/07/81/94/493078194.db2.gz RAGJBGCGXCFGLC-MRXNPFEDSA-N 2 2 364.490 0.639 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000627005351 493079518 /nfs/dbraw/zinc/07/95/18/493079518.db2.gz XTWKRSNUIBMYOL-UKRRQHHQSA-N 2 2 356.434 0.286 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000653274237 493087926 /nfs/dbraw/zinc/08/79/26/493087926.db2.gz AUKYDKNLSYZZFM-FQEVSTJZSA-N 2 2 361.486 0.725 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)cn21 ZINC000627107726 493088449 /nfs/dbraw/zinc/08/84/49/493088449.db2.gz BMMLRISPCKEAQD-MRXNPFEDSA-N 2 2 368.445 0.811 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126139 493091403 /nfs/dbraw/zinc/09/14/03/493091403.db2.gz BPFQMQFJEHUHEZ-IAGOWNOFSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126139 493091406 /nfs/dbraw/zinc/09/14/06/493091406.db2.gz BPFQMQFJEHUHEZ-IAGOWNOFSA-N 2 2 359.474 0.866 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627184825 493103495 /nfs/dbraw/zinc/10/34/95/493103495.db2.gz YICWMUMEIZNVEY-KRWDZBQOSA-N 2 2 362.474 0.819 20 0 FCADLP CC[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633037569 493108573 /nfs/dbraw/zinc/10/85/73/493108573.db2.gz REHIVBXAFYWEHN-QGZVFWFLSA-N 2 2 362.478 0.067 20 0 FCADLP CC[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000633037569 493108576 /nfs/dbraw/zinc/10/85/76/493108576.db2.gz REHIVBXAFYWEHN-QGZVFWFLSA-N 2 2 362.478 0.067 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833754 493108862 /nfs/dbraw/zinc/10/88/62/493108862.db2.gz QJYMGEQIQKCSKH-BBRMVZONSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833754 493108866 /nfs/dbraw/zinc/10/88/66/493108866.db2.gz QJYMGEQIQKCSKH-BBRMVZONSA-N 2 2 354.401 0.633 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224923 493109887 /nfs/dbraw/zinc/10/98/87/493109887.db2.gz QLTGHITXVLXQHQ-DLBZAZTESA-N 2 2 363.462 0.042 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224923 493109889 /nfs/dbraw/zinc/10/98/89/493109889.db2.gz QLTGHITXVLXQHQ-DLBZAZTESA-N 2 2 363.462 0.042 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000627226289 493110524 /nfs/dbraw/zinc/11/05/24/493110524.db2.gz QGOFTSXWOOWXBS-QGZVFWFLSA-N 2 2 370.461 0.235 20 0 FCADLP CC1(C)[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000640520370 493111100 /nfs/dbraw/zinc/11/11/00/493111100.db2.gz QYGDPXFBWLTEIC-HOTGVXAUSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000646876242 493116936 /nfs/dbraw/zinc/11/69/36/493116936.db2.gz WHPHPFSCAYXDDQ-HZPDHXFCSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)CC[N@@H+]1C ZINC000653397176 493118664 /nfs/dbraw/zinc/11/86/64/493118664.db2.gz NUUIUKAZKUAHLR-BHIYHBOVSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)CC[N@H+]1C ZINC000653397176 493118668 /nfs/dbraw/zinc/11/86/68/493118668.db2.gz NUUIUKAZKUAHLR-BHIYHBOVSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397176 493118669 /nfs/dbraw/zinc/11/86/69/493118669.db2.gz NUUIUKAZKUAHLR-BHIYHBOVSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC[NH+]1C ZINC000653397176 493118672 /nfs/dbraw/zinc/11/86/72/493118672.db2.gz NUUIUKAZKUAHLR-BHIYHBOVSA-N 2 2 372.513 0.971 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633115293 493131822 /nfs/dbraw/zinc/13/18/22/493131822.db2.gz JAIATIUZVIRXKQ-WBVHZDCISA-N 2 2 374.485 0.596 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000633138417 493136000 /nfs/dbraw/zinc/13/60/00/493136000.db2.gz BQVBFKSCBIDFQM-GOEBONIOSA-N 2 2 355.442 0.838 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633147597 493136508 /nfs/dbraw/zinc/13/65/08/493136508.db2.gz SUVXAEWTYCXEEZ-GZBFAFLISA-N 2 2 350.488 0.901 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653443947 493141991 /nfs/dbraw/zinc/14/19/91/493141991.db2.gz BOZLHEZXNFQBKC-HZMVEIRTSA-N 2 2 364.490 0.049 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653443947 493141994 /nfs/dbraw/zinc/14/19/94/493141994.db2.gz BOZLHEZXNFQBKC-HZMVEIRTSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000659094442 493149434 /nfs/dbraw/zinc/14/94/34/493149434.db2.gz MDJVYGMQMAORAN-KGLIPLIRSA-N 2 2 364.446 0.188 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000659094442 493149439 /nfs/dbraw/zinc/14/94/39/493149439.db2.gz MDJVYGMQMAORAN-KGLIPLIRSA-N 2 2 364.446 0.188 20 0 FCADLP C[NH+](C)CCc1cn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000640954570 493153395 /nfs/dbraw/zinc/15/33/95/493153395.db2.gz UWNBYPGPHUJEQI-UHFFFAOYSA-N 2 2 362.503 0.788 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055371 493154365 /nfs/dbraw/zinc/15/43/65/493154365.db2.gz XCFFNZGTHLJBMT-INIZCTEOSA-N 2 2 371.485 0.769 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc2)CC1 ZINC000659113767 493160041 /nfs/dbraw/zinc/16/00/41/493160041.db2.gz HAQUKUFHKIRHCH-OAHLLOKOSA-N 2 2 361.490 0.487 20 0 FCADLP Cc1[nH+]ccn1Cc1cn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000641031474 493163505 /nfs/dbraw/zinc/16/35/05/493163505.db2.gz MXTNXCRABQULIL-UHFFFAOYSA-N 2 2 369.429 0.769 20 0 FCADLP O=C(Cn1cc(C2CC[NH2+]CC2)nn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000641031680 493163751 /nfs/dbraw/zinc/16/37/51/493163751.db2.gz WKUIDJSASWYFDF-UHFFFAOYSA-N 2 2 358.446 0.683 20 0 FCADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC000641112528 493169383 /nfs/dbraw/zinc/16/93/83/493169383.db2.gz NTWZPMNJNFSSIZ-UHFFFAOYSA-N 2 2 371.489 0.675 20 0 FCADLP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659284251 493183756 /nfs/dbraw/zinc/18/37/56/493183756.db2.gz CTKDDFBRXUJOJY-YOEHRIQHSA-N 2 2 358.446 0.256 20 0 FCADLP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659284251 493183764 /nfs/dbraw/zinc/18/37/64/493183764.db2.gz CTKDDFBRXUJOJY-YOEHRIQHSA-N 2 2 358.446 0.256 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1)N1CCCC1 ZINC000659284344 493184073 /nfs/dbraw/zinc/18/40/73/493184073.db2.gz IFOBVIKWKCGRNT-GOSISDBHSA-N 2 2 356.470 0.988 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000666450273 493185125 /nfs/dbraw/zinc/18/51/25/493185125.db2.gz NNOYBWFWIOFXNX-STQMWFEESA-N 2 2 370.417 0.440 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672531848 493194924 /nfs/dbraw/zinc/19/49/24/493194924.db2.gz WFZILNYDACWXMH-DZGCQCFKSA-N 2 2 354.520 0.235 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672531848 493194930 /nfs/dbraw/zinc/19/49/30/493194930.db2.gz WFZILNYDACWXMH-DZGCQCFKSA-N 2 2 354.520 0.235 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536839 493197042 /nfs/dbraw/zinc/19/70/42/493197042.db2.gz GQHBYHHURPSSBG-SJLPKXTDSA-N 2 2 373.501 0.934 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000672536839 493197045 /nfs/dbraw/zinc/19/70/45/493197045.db2.gz GQHBYHHURPSSBG-SJLPKXTDSA-N 2 2 373.501 0.934 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672557377 493205487 /nfs/dbraw/zinc/20/54/87/493205487.db2.gz DSUIQIDCKLQEPW-QFBILLFUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672557377 493205489 /nfs/dbraw/zinc/20/54/89/493205489.db2.gz DSUIQIDCKLQEPW-QFBILLFUSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664316 493212078 /nfs/dbraw/zinc/21/20/78/493212078.db2.gz ZPYWFZOMTJKUQR-SJLPKXTDSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664316 493212083 /nfs/dbraw/zinc/21/20/83/493212083.db2.gz ZPYWFZOMTJKUQR-SJLPKXTDSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666691975 493216395 /nfs/dbraw/zinc/21/63/95/493216395.db2.gz DDCDDCAYZSQIMU-MRXNPFEDSA-N 2 2 360.458 0.668 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666692049 493217709 /nfs/dbraw/zinc/21/77/09/493217709.db2.gz YPGQKMHMKPQWKH-YOEHRIQHSA-N 2 2 360.458 0.968 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000672637344 493219866 /nfs/dbraw/zinc/21/98/66/493219866.db2.gz FGEDJYCSDDRWCG-OAHLLOKOSA-N 2 2 368.522 0.186 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000672637344 493219871 /nfs/dbraw/zinc/21/98/71/493219871.db2.gz FGEDJYCSDDRWCG-OAHLLOKOSA-N 2 2 368.522 0.186 20 0 FCADLP CC(C)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639035 493221701 /nfs/dbraw/zinc/22/17/01/493221701.db2.gz XWGBXCASRIZXON-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639035 493221703 /nfs/dbraw/zinc/22/17/03/493221703.db2.gz XWGBXCASRIZXON-WBVHZDCISA-N 2 2 350.507 0.918 20 0 FCADLP CCN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638197 493222014 /nfs/dbraw/zinc/22/20/14/493222014.db2.gz BFHZRAUCFTUXAQ-KRWDZBQOSA-N 2 2 373.501 0.715 20 0 FCADLP CCN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638197 493222016 /nfs/dbraw/zinc/22/20/16/493222016.db2.gz BFHZRAUCFTUXAQ-KRWDZBQOSA-N 2 2 373.501 0.715 20 0 FCADLP CCCCCN(CCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638440 493222336 /nfs/dbraw/zinc/22/23/36/493222336.db2.gz SMQJJKIMIUEJSM-INIZCTEOSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCN(CCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638440 493222338 /nfs/dbraw/zinc/22/23/38/493222338.db2.gz SMQJJKIMIUEJSM-INIZCTEOSA-N 2 2 368.522 0.282 20 0 FCADLP CN(Cc1cccnc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638390 493222415 /nfs/dbraw/zinc/22/24/15/493222415.db2.gz GMIKAPADASJROH-INIZCTEOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(Cc1cccnc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638390 493222420 /nfs/dbraw/zinc/22/24/20/493222420.db2.gz GMIKAPADASJROH-INIZCTEOSA-N 2 2 359.474 0.325 20 0 FCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640157 493223357 /nfs/dbraw/zinc/22/33/57/493223357.db2.gz RZRZKPASTPIIIO-FVQBIDKESA-N 2 2 366.506 0.201 20 0 FCADLP CO[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000672640157 493223361 /nfs/dbraw/zinc/22/33/61/493223361.db2.gz RZRZKPASTPIIIO-FVQBIDKESA-N 2 2 366.506 0.201 20 0 FCADLP CCO[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640767 493223379 /nfs/dbraw/zinc/22/33/79/493223379.db2.gz ZNECWNDOCLEBNL-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CCO[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640767 493223382 /nfs/dbraw/zinc/22/33/82/493223382.db2.gz ZNECWNDOCLEBNL-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CCOC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641486 493225879 /nfs/dbraw/zinc/22/58/79/493225879.db2.gz SEZPRCYFZGTCBB-DOTOQJQBSA-N 2 2 368.522 0.448 20 0 FCADLP CCOC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641486 493225882 /nfs/dbraw/zinc/22/58/82/493225882.db2.gz SEZPRCYFZGTCBB-DOTOQJQBSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642107 493225896 /nfs/dbraw/zinc/22/58/96/493225896.db2.gz XXUDLPAODXJKNK-GDBMZVCRSA-N 2 2 368.547 0.625 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672642107 493225898 /nfs/dbraw/zinc/22/58/98/493225898.db2.gz XXUDLPAODXJKNK-GDBMZVCRSA-N 2 2 368.547 0.625 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642354 493226929 /nfs/dbraw/zinc/22/69/29/493226929.db2.gz HMGJITPATHDUIH-HUUCEWRRSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642354 493226930 /nfs/dbraw/zinc/22/69/30/493226930.db2.gz HMGJITPATHDUIH-HUUCEWRRSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC(=O)N1C ZINC000659639604 493227007 /nfs/dbraw/zinc/22/70/07/493227007.db2.gz BXBRVIWQTFLNCW-YXWQFLTLSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC(=O)N1C ZINC000659639595 493227373 /nfs/dbraw/zinc/22/73/73/493227373.db2.gz BXBRVIWQTFLNCW-HOSILWTGSA-N 2 2 360.462 0.475 20 0 FCADLP CCN(CCC1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643068 493227930 /nfs/dbraw/zinc/22/79/30/493227930.db2.gz OBJZFPVFNQDSBZ-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CCC1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643068 493227933 /nfs/dbraw/zinc/22/79/33/493227933.db2.gz OBJZFPVFNQDSBZ-INIZCTEOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643015 493228426 /nfs/dbraw/zinc/22/84/26/493228426.db2.gz MRULCQPPPKIILL-ILXRZTDVSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643015 493228427 /nfs/dbraw/zinc/22/84/27/493228427.db2.gz MRULCQPPPKIILL-ILXRZTDVSA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@@H](C)O1 ZINC000672706466 493237569 /nfs/dbraw/zinc/23/75/69/493237569.db2.gz BVNASSIABNHKPK-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@@H](C)O1 ZINC000672706466 493237573 /nfs/dbraw/zinc/23/75/73/493237573.db2.gz BVNASSIABNHKPK-HZPDHXFCSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666976627 493244101 /nfs/dbraw/zinc/24/41/01/493244101.db2.gz LZHRXASSUHRJAZ-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666976626 493244117 /nfs/dbraw/zinc/24/41/17/493244117.db2.gz LZHRXASSUHRJAZ-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659674875 493245238 /nfs/dbraw/zinc/24/52/38/493245238.db2.gz WRMJXSUIJITPHK-INIZCTEOSA-N 2 2 362.474 0.199 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659674875 493245241 /nfs/dbraw/zinc/24/52/41/493245241.db2.gz WRMJXSUIJITPHK-INIZCTEOSA-N 2 2 362.474 0.199 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCC[NH+]3CCOCC3)[nH+]c12 ZINC000672761096 493245423 /nfs/dbraw/zinc/24/54/23/493245423.db2.gz JAYOJZXOBBZOAY-UHFFFAOYSA-N 2 2 373.457 0.140 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672765376 493247872 /nfs/dbraw/zinc/24/78/72/493247872.db2.gz JEUIKZNUNYJKQQ-MRXNPFEDSA-N 2 2 373.457 0.138 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672765376 493247874 /nfs/dbraw/zinc/24/78/74/493247874.db2.gz JEUIKZNUNYJKQQ-MRXNPFEDSA-N 2 2 373.457 0.138 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000659680632 493248281 /nfs/dbraw/zinc/24/82/81/493248281.db2.gz OXLDTAZNJKEADV-UHFFFAOYSA-N 2 2 374.485 0.523 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659681865 493248837 /nfs/dbraw/zinc/24/88/37/493248837.db2.gz CKOYAUSKDUWHCG-LTIDMASMSA-N 2 2 366.506 0.332 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCC1 ZINC000659682228 493248984 /nfs/dbraw/zinc/24/89/84/493248984.db2.gz HUTZUEJTXFUNOD-GJZGRUSLSA-N 2 2 352.479 0.134 20 0 FCADLP CC1(C)CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000682009643 493262034 /nfs/dbraw/zinc/26/20/34/493262034.db2.gz CKDPRWWDNINKEZ-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP CC1(C)CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000682009643 493262039 /nfs/dbraw/zinc/26/20/39/493262039.db2.gz CKDPRWWDNINKEZ-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP CC1(C)CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000682009643 493262041 /nfs/dbraw/zinc/26/20/41/493262041.db2.gz CKDPRWWDNINKEZ-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP CC1(C)CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000682009643 493262044 /nfs/dbraw/zinc/26/20/44/493262044.db2.gz CKDPRWWDNINKEZ-GOSISDBHSA-N 2 2 361.486 0.803 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672956250 493270062 /nfs/dbraw/zinc/27/00/62/493270062.db2.gz QAHYBNHWVXCJNR-INIZCTEOSA-N 2 2 371.441 0.274 20 0 FCADLP COc1ccc([C@H](CCn2cncn2)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000682133188 493272373 /nfs/dbraw/zinc/27/23/73/493272373.db2.gz SYVMNGDTTBFMJR-SFHVURJKSA-N 2 2 372.473 0.782 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000682144076 493272513 /nfs/dbraw/zinc/27/25/13/493272513.db2.gz IURAQTJHZDCFOP-UHFFFAOYSA-N 2 2 374.489 0.777 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000682144076 493272516 /nfs/dbraw/zinc/27/25/16/493272516.db2.gz IURAQTJHZDCFOP-UHFFFAOYSA-N 2 2 374.489 0.777 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)N2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000667365641 493278787 /nfs/dbraw/zinc/27/87/87/493278787.db2.gz NGZCAURYHNUTQY-WMLDXEAASA-N 2 2 374.489 0.819 20 0 FCADLP Cc1cncc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000682229122 493281000 /nfs/dbraw/zinc/28/10/00/493281000.db2.gz JTRNWUBCDRPIMH-KRWDZBQOSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1cncc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000682229122 493281003 /nfs/dbraw/zinc/28/10/03/493281003.db2.gz JTRNWUBCDRPIMH-KRWDZBQOSA-N 2 2 359.474 0.955 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCO1 ZINC000667404576 493283580 /nfs/dbraw/zinc/28/35/80/493283580.db2.gz RQJAQMXGXMWMPU-BZNIZROVSA-N 2 2 371.441 0.964 20 0 FCADLP Cn1nc2c(c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000682269916 493283692 /nfs/dbraw/zinc/28/36/92/493283692.db2.gz DYQBVMYZUBYNGT-CYBMUJFWSA-N 2 2 374.489 0.132 20 0 FCADLP Cn1nc2c(c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCC2 ZINC000682269916 493283694 /nfs/dbraw/zinc/28/36/94/493283694.db2.gz DYQBVMYZUBYNGT-CYBMUJFWSA-N 2 2 374.489 0.132 20 0 FCADLP CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673143924 493295072 /nfs/dbraw/zinc/29/50/72/493295072.db2.gz XPVWZPFXJBSROY-QGZVFWFLSA-N 2 2 368.522 0.728 20 0 FCADLP CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673143924 493295076 /nfs/dbraw/zinc/29/50/76/493295076.db2.gz XPVWZPFXJBSROY-QGZVFWFLSA-N 2 2 368.522 0.728 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659878227 493297206 /nfs/dbraw/zinc/29/72/06/493297206.db2.gz JSEGSYUXFSOWDM-BZSNNMDCSA-N 2 2 370.538 0.254 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000673275033 493309681 /nfs/dbraw/zinc/30/96/81/493309681.db2.gz AGFWWHANBAKRBA-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282545 493311351 /nfs/dbraw/zinc/31/13/51/493311351.db2.gz FNTPSNXHJHGQQU-ZBFHGGJFSA-N 2 2 353.426 0.617 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282545 493311354 /nfs/dbraw/zinc/31/13/54/493311354.db2.gz FNTPSNXHJHGQQU-ZBFHGGJFSA-N 2 2 353.426 0.617 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000673290113 493313071 /nfs/dbraw/zinc/31/30/71/493313071.db2.gz ZLHHMHOHKXVIIE-ZTFGCOKTSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000673290113 493313075 /nfs/dbraw/zinc/31/30/75/493313075.db2.gz ZLHHMHOHKXVIIE-ZTFGCOKTSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)[C@@H]2C1 ZINC000673290113 493313078 /nfs/dbraw/zinc/31/30/78/493313078.db2.gz ZLHHMHOHKXVIIE-ZTFGCOKTSA-N 2 2 356.470 0.842 20 0 FCADLP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)[C@@H]2C1 ZINC000673290113 493313081 /nfs/dbraw/zinc/31/30/81/493313081.db2.gz ZLHHMHOHKXVIIE-ZTFGCOKTSA-N 2 2 356.470 0.842 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660121723 493327503 /nfs/dbraw/zinc/32/75/03/493327503.db2.gz NUFRRKAQUPHEBZ-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000660121723 493327504 /nfs/dbraw/zinc/32/75/04/493327504.db2.gz NUFRRKAQUPHEBZ-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660133547 493329081 /nfs/dbraw/zinc/32/90/81/493329081.db2.gz ZLMLOOHBQQCHKE-SFHVURJKSA-N 2 2 367.515 0.903 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000660133547 493329083 /nfs/dbraw/zinc/32/90/83/493329083.db2.gz ZLMLOOHBQQCHKE-SFHVURJKSA-N 2 2 367.515 0.903 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000660152346 493330846 /nfs/dbraw/zinc/33/08/46/493330846.db2.gz ZJRZFMXKYXWOQN-UHFFFAOYSA-N 2 2 359.536 0.750 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000660694656 493373396 /nfs/dbraw/zinc/37/33/96/493373396.db2.gz FBTDIPMKBOZAEO-MRXNPFEDSA-N 2 2 361.552 0.731 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000684029889 493388655 /nfs/dbraw/zinc/38/86/55/493388655.db2.gz YFYUXHMMXYKSBA-CQSZACIVSA-N 2 2 372.429 0.385 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036597 493404144 /nfs/dbraw/zinc/40/41/44/493404144.db2.gz KLLUHMMHXKWJLY-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661036597 493404146 /nfs/dbraw/zinc/40/41/46/493404146.db2.gz KLLUHMMHXKWJLY-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661068804 493406309 /nfs/dbraw/zinc/40/63/09/493406309.db2.gz DUABIFJXACTMCG-MRXNPFEDSA-N 2 2 352.479 0.404 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661068802 493406467 /nfs/dbraw/zinc/40/64/67/493406467.db2.gz DUABIFJXACTMCG-INIZCTEOSA-N 2 2 352.479 0.404 20 0 FCADLP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)o1 ZINC000674368392 493410702 /nfs/dbraw/zinc/41/07/02/493410702.db2.gz MZFQXKJHMUMIAW-HNNXBMFYSA-N 2 2 353.463 0.887 20 0 FCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000684552063 493418614 /nfs/dbraw/zinc/41/86/14/493418614.db2.gz ILFPFCMGMWNPKZ-CQSZACIVSA-N 2 2 368.503 0.375 20 0 FCADLP CN1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000668849430 493421349 /nfs/dbraw/zinc/42/13/49/493421349.db2.gz AJRSPOXKDFAVMN-ZWKOTPCHSA-N 2 2 361.490 0.344 20 0 FCADLP CN1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000668849428 493421483 /nfs/dbraw/zinc/42/14/83/493421483.db2.gz AJRSPOXKDFAVMN-QZTJIDSGSA-N 2 2 361.490 0.344 20 0 FCADLP CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000685131250 493450376 /nfs/dbraw/zinc/45/03/76/493450376.db2.gz GDSGBIFVVWIYPE-UHFFFAOYSA-N 2 2 373.461 0.206 20 0 FCADLP CN(C)CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000685131250 493450378 /nfs/dbraw/zinc/45/03/78/493450378.db2.gz GDSGBIFVVWIYPE-UHFFFAOYSA-N 2 2 373.461 0.206 20 0 FCADLP CN(CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)CC[NH+](C)C ZINC000685131250 493450380 /nfs/dbraw/zinc/45/03/80/493450380.db2.gz GDSGBIFVVWIYPE-UHFFFAOYSA-N 2 2 373.461 0.206 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618404 493453294 /nfs/dbraw/zinc/45/32/94/493453294.db2.gz AUMJLHCZGGERKM-WMZOPIPTSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618404 493453296 /nfs/dbraw/zinc/45/32/96/493453296.db2.gz AUMJLHCZGGERKM-WMZOPIPTSA-N 2 2 361.486 0.585 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)C2)CC1 ZINC000674928104 493460169 /nfs/dbraw/zinc/46/01/69/493460169.db2.gz UXZFUZYEWUYNFC-SZMVWBNQSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)C2)CC1 ZINC000674928104 493460172 /nfs/dbraw/zinc/46/01/72/493460172.db2.gz UXZFUZYEWUYNFC-SZMVWBNQSA-N 2 2 366.506 0.744 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000661721419 493462324 /nfs/dbraw/zinc/46/23/24/493462324.db2.gz BNHDCIQQUXRVAE-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000661721419 493462326 /nfs/dbraw/zinc/46/23/26/493462326.db2.gz BNHDCIQQUXRVAE-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCCS1 ZINC000685192615 493464813 /nfs/dbraw/zinc/46/48/13/493464813.db2.gz HHVFBDDBXOYGJD-INIZCTEOSA-N 2 2 370.563 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCCS1 ZINC000685192615 493464816 /nfs/dbraw/zinc/46/48/16/493464816.db2.gz HHVFBDDBXOYGJD-INIZCTEOSA-N 2 2 370.563 0.873 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000669182349 493473569 /nfs/dbraw/zinc/47/35/69/493473569.db2.gz GFPZJKICBRJVCT-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336261 493477473 /nfs/dbraw/zinc/47/74/73/493477473.db2.gz PREXMXZWEWIZMV-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336261 493477475 /nfs/dbraw/zinc/47/74/75/493477475.db2.gz PREXMXZWEWIZMV-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000685358899 493485358 /nfs/dbraw/zinc/48/53/58/493485358.db2.gz GXYFXLXYJCBMFY-AWEZNQCLSA-N 2 2 354.414 0.058 20 0 FCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000669397193 493502231 /nfs/dbraw/zinc/50/22/31/493502231.db2.gz AUZNTPWOGBFIOS-CVEARBPZSA-N 2 2 361.494 0.225 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000669405498 493502426 /nfs/dbraw/zinc/50/24/26/493502426.db2.gz FDOGCHNEVFSEMH-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP O=C(CNC1(CO)CC[NH2+]CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662286873 493502495 /nfs/dbraw/zinc/50/24/95/493502495.db2.gz NKUQQHMDLYWJRO-UHFFFAOYSA-N 2 2 362.474 0.161 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662286873 493502499 /nfs/dbraw/zinc/50/24/99/493502499.db2.gz NKUQQHMDLYWJRO-UHFFFAOYSA-N 3 2 362.474 0.161 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000669467865 493505163 /nfs/dbraw/zinc/50/51/63/493505163.db2.gz COYWRIDRYJDWEX-ZIAGYGMSSA-N 2 2 353.417 0.828 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C[NH3+])C1 ZINC000669467865 493505165 /nfs/dbraw/zinc/50/51/65/493505165.db2.gz COYWRIDRYJDWEX-ZIAGYGMSSA-N 2 2 353.417 0.828 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)Nc1ccon1 ZINC000662335931 493507496 /nfs/dbraw/zinc/50/74/96/493507496.db2.gz UPPTVBZXNISBCG-ZDUSSCGKSA-N 2 2 359.434 0.625 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)Nc1ccon1 ZINC000662335931 493507499 /nfs/dbraw/zinc/50/74/99/493507499.db2.gz UPPTVBZXNISBCG-ZDUSSCGKSA-N 2 2 359.434 0.625 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669542749 493510593 /nfs/dbraw/zinc/51/05/93/493510593.db2.gz CJMBIFKWCYQXKT-CABCVRRESA-N 2 2 360.462 0.157 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@@H]2CCCC[NH2+]2)([NH+]2CCOCC2)C1 ZINC000669571485 493511463 /nfs/dbraw/zinc/51/14/63/493511463.db2.gz PNXNLSOKHCSLOD-HJOIGYKYSA-N 2 2 354.495 0.698 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000662445377 493515748 /nfs/dbraw/zinc/51/57/48/493515748.db2.gz OHOACRHLJNKEDF-AWEZNQCLSA-N 2 2 358.446 0.764 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)c3cc4c(s3)CC[NH2+]C4)CCO2)CC1 ZINC000662447572 493515907 /nfs/dbraw/zinc/51/59/07/493515907.db2.gz ABFLUHLDUFMRCX-HNNXBMFYSA-N 2 2 364.515 0.482 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cnn1C ZINC000662448039 493516264 /nfs/dbraw/zinc/51/62/64/493516264.db2.gz FIVSXHPVJMOZMI-ZWKOTPCHSA-N 2 2 371.489 0.109 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669657695 493519212 /nfs/dbraw/zinc/51/92/12/493519212.db2.gz ZEDIQESSVCKHBR-ULQDDVLXSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669657695 493519214 /nfs/dbraw/zinc/51/92/14/493519214.db2.gz ZEDIQESSVCKHBR-ULQDDVLXSA-N 2 2 354.495 0.459 20 0 FCADLP Cc1c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)nnn1[C@@H]1CC[NH2+]C1 ZINC000662504630 493521838 /nfs/dbraw/zinc/52/18/38/493521838.db2.gz KJSHSJJOESQQCO-CQSZACIVSA-N 2 2 371.445 0.913 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665231 493530676 /nfs/dbraw/zinc/53/06/76/493530676.db2.gz JIWBGXMEJKRQBW-JKSUJKDBSA-N 2 2 362.478 0.530 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662690076 493532040 /nfs/dbraw/zinc/53/20/40/493532040.db2.gz ZFEQVRFCRMOBJY-HOTGVXAUSA-N 2 2 362.478 0.530 20 0 FCADLP CC(C)[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000662752654 493538131 /nfs/dbraw/zinc/53/81/31/493538131.db2.gz SONLELQPHLCTSG-XHBSWPGZSA-N 2 2 351.451 0.391 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899142 493550231 /nfs/dbraw/zinc/55/02/31/493550231.db2.gz BXDLGWOZWFSPSQ-GDBMZVCRSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899142 493550233 /nfs/dbraw/zinc/55/02/33/493550233.db2.gz BXDLGWOZWFSPSQ-GDBMZVCRSA-N 3 2 360.506 0.727 20 0 FCADLP Nc1c(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000676477739 493554351 /nfs/dbraw/zinc/55/43/51/493554351.db2.gz KLRPADZHEZELCQ-GFCCVEGCSA-N 2 2 358.402 0.582 20 0 FCADLP Nc1c(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000676477739 493554353 /nfs/dbraw/zinc/55/43/53/493554353.db2.gz KLRPADZHEZELCQ-GFCCVEGCSA-N 2 2 358.402 0.582 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676506775 493556475 /nfs/dbraw/zinc/55/64/75/493556475.db2.gz BVYQYZHSUBURRU-RDJZCZTQSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676506775 493556476 /nfs/dbraw/zinc/55/64/76/493556476.db2.gz BVYQYZHSUBURRU-RDJZCZTQSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676506775 493556477 /nfs/dbraw/zinc/55/64/77/493556477.db2.gz BVYQYZHSUBURRU-RDJZCZTQSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676506775 493556479 /nfs/dbraw/zinc/55/64/79/493556479.db2.gz BVYQYZHSUBURRU-RDJZCZTQSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccccc3)C2)CC1 ZINC000670476781 493571856 /nfs/dbraw/zinc/57/18/56/493571856.db2.gz SFHMLKRRIGZXOG-KRWDZBQOSA-N 2 2 358.486 0.630 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3ccccc3)C2)CC1 ZINC000670476781 493571857 /nfs/dbraw/zinc/57/18/57/493571857.db2.gz SFHMLKRRIGZXOG-KRWDZBQOSA-N 2 2 358.486 0.630 20 0 FCADLP O=C1NC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1=O ZINC000663119765 493572804 /nfs/dbraw/zinc/57/28/04/493572804.db2.gz LWLYUWGCYXTSKN-GOSISDBHSA-N 2 2 356.470 0.815 20 0 FCADLP O=C1NC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1=O ZINC000663119765 493572808 /nfs/dbraw/zinc/57/28/08/493572808.db2.gz LWLYUWGCYXTSKN-GOSISDBHSA-N 2 2 356.470 0.815 20 0 FCADLP COc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670493802 493574419 /nfs/dbraw/zinc/57/44/19/493574419.db2.gz GAIMFUQILNIFPD-INIZCTEOSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670493802 493574420 /nfs/dbraw/zinc/57/44/20/493574420.db2.gz GAIMFUQILNIFPD-INIZCTEOSA-N 2 2 374.485 0.596 20 0 FCADLP CCCCOCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670498522 493574575 /nfs/dbraw/zinc/57/45/75/493574575.db2.gz UZMMYBBSWWTSDY-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CCCCOCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670498522 493574578 /nfs/dbraw/zinc/57/45/78/493574578.db2.gz UZMMYBBSWWTSDY-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000670629975 493581993 /nfs/dbraw/zinc/58/19/93/493581993.db2.gz BFNXULGQVQCYIP-IRXDYDNUSA-N 2 2 366.506 0.347 20 0 FCADLP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000677183952 493588717 /nfs/dbraw/zinc/58/87/17/493588717.db2.gz VMMMXBPQVBPSOC-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677183952 493588718 /nfs/dbraw/zinc/58/87/18/493588718.db2.gz VMMMXBPQVBPSOC-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)COCC(=O)N2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677183952 493588719 /nfs/dbraw/zinc/58/87/19/493588719.db2.gz VMMMXBPQVBPSOC-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1O ZINC000663438685 493589649 /nfs/dbraw/zinc/58/96/49/493589649.db2.gz VNRHTAGRVKGIHB-SQNIBIBYSA-N 2 2 362.474 0.204 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1O ZINC000663438685 493589650 /nfs/dbraw/zinc/58/96/50/493589650.db2.gz VNRHTAGRVKGIHB-SQNIBIBYSA-N 2 2 362.474 0.204 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000663480155 493591614 /nfs/dbraw/zinc/59/16/14/493591614.db2.gz NGBOMROLASQMDC-IRXDYDNUSA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000663480155 493591615 /nfs/dbraw/zinc/59/16/15/493591615.db2.gz NGBOMROLASQMDC-IRXDYDNUSA-N 2 2 354.495 0.459 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C[C@@H]1O ZINC000663516142 493593512 /nfs/dbraw/zinc/59/35/12/493593512.db2.gz OZFTZGKCISOZTA-SQNIBIBYSA-N 2 2 362.474 0.376 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000670787634 493597324 /nfs/dbraw/zinc/59/73/24/493597324.db2.gz JYMKXOHJPQBVAX-OAHLLOKOSA-N 2 2 357.458 0.982 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000663578587 493601259 /nfs/dbraw/zinc/60/12/59/493601259.db2.gz GSQCJEHSFQUAOX-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000663578587 493601262 /nfs/dbraw/zinc/60/12/62/493601262.db2.gz GSQCJEHSFQUAOX-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)CO1 ZINC000663578587 493601265 /nfs/dbraw/zinc/60/12/65/493601265.db2.gz GSQCJEHSFQUAOX-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)CO1 ZINC000663578587 493601268 /nfs/dbraw/zinc/60/12/68/493601268.db2.gz GSQCJEHSFQUAOX-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000663578584 493601462 /nfs/dbraw/zinc/60/14/62/493601462.db2.gz GSQCJEHSFQUAOX-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000663578584 493601465 /nfs/dbraw/zinc/60/14/65/493601465.db2.gz GSQCJEHSFQUAOX-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000663578584 493601466 /nfs/dbraw/zinc/60/14/66/493601466.db2.gz GSQCJEHSFQUAOX-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000663578584 493601468 /nfs/dbraw/zinc/60/14/68/493601468.db2.gz GSQCJEHSFQUAOX-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP CC[C@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670849449 493606206 /nfs/dbraw/zinc/60/62/06/493606206.db2.gz NRISJMSNSOXPDD-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@H](COC)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670849449 493606209 /nfs/dbraw/zinc/60/62/09/493606209.db2.gz NRISJMSNSOXPDD-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000670983078 493619251 /nfs/dbraw/zinc/61/92/51/493619251.db2.gz CPIFZQHATCEEFO-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000670984688 493619718 /nfs/dbraw/zinc/61/97/18/493619718.db2.gz UOPQZJJOWLRQPX-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000670984688 493619719 /nfs/dbraw/zinc/61/97/19/493619719.db2.gz UOPQZJJOWLRQPX-INIZCTEOSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670997057 493622255 /nfs/dbraw/zinc/62/22/55/493622255.db2.gz UNPSVTDOOPHJDT-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP COCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671030720 493624269 /nfs/dbraw/zinc/62/42/69/493624269.db2.gz OALSGLZDXYQGPW-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP COCCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671030720 493624271 /nfs/dbraw/zinc/62/42/71/493624271.db2.gz OALSGLZDXYQGPW-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000671070326 493628835 /nfs/dbraw/zinc/62/88/35/493628835.db2.gz BVXDWSMGFRIGFD-MRXNPFEDSA-N 2 2 363.462 0.226 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000671070326 493628837 /nfs/dbraw/zinc/62/88/37/493628837.db2.gz BVXDWSMGFRIGFD-MRXNPFEDSA-N 2 2 363.462 0.226 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663993414 493628974 /nfs/dbraw/zinc/62/89/74/493628974.db2.gz IPYJWLPUQIRDFF-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663993414 493628976 /nfs/dbraw/zinc/62/89/76/493628976.db2.gz IPYJWLPUQIRDFF-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671100424 493632958 /nfs/dbraw/zinc/63/29/58/493632958.db2.gz IAHVDUMVMZBQPH-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000671100424 493632959 /nfs/dbraw/zinc/63/29/59/493632959.db2.gz IAHVDUMVMZBQPH-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cn21 ZINC000664061063 493633134 /nfs/dbraw/zinc/63/31/34/493633134.db2.gz NUNAAQYFMIPUKI-UHFFFAOYSA-N 2 2 360.462 0.804 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671103851 493634206 /nfs/dbraw/zinc/63/42/06/493634206.db2.gz PRECJYRJBHKSSB-ROUUACIJSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671103851 493634208 /nfs/dbraw/zinc/63/42/08/493634208.db2.gz PRECJYRJBHKSSB-ROUUACIJSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107293 493635816 /nfs/dbraw/zinc/63/58/16/493635816.db2.gz CCFCHGYFFXFHRZ-YQQAZPJKSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107293 493635820 /nfs/dbraw/zinc/63/58/20/493635820.db2.gz CCFCHGYFFXFHRZ-YQQAZPJKSA-N 2 2 358.442 0.804 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000671126696 493639975 /nfs/dbraw/zinc/63/99/75/493639975.db2.gz DEKWRMSJOKDFDL-HNNXBMFYSA-N 2 2 361.490 0.867 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000671170795 493645023 /nfs/dbraw/zinc/64/50/23/493645023.db2.gz FESXBVAKAFBGEH-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000678631212 493652929 /nfs/dbraw/zinc/65/29/29/493652929.db2.gz ZRGUUZPNPHTGKX-KRWDZBQOSA-N 2 2 362.474 0.330 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394494 493664331 /nfs/dbraw/zinc/66/43/31/493664331.db2.gz LPNWISBOSHEEAP-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000671394494 493664335 /nfs/dbraw/zinc/66/43/35/493664335.db2.gz LPNWISBOSHEEAP-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000671396076 493664624 /nfs/dbraw/zinc/66/46/24/493664624.db2.gz CDPGPHDFCZWFRI-HNNXBMFYSA-N 2 2 358.486 0.965 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395831 493664736 /nfs/dbraw/zinc/66/47/36/493664736.db2.gz DINQUOCZNIAMHG-INIZCTEOSA-N 2 2 358.486 0.919 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395831 493664738 /nfs/dbraw/zinc/66/47/38/493664738.db2.gz DINQUOCZNIAMHG-INIZCTEOSA-N 2 2 358.486 0.919 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000664518502 493664863 /nfs/dbraw/zinc/66/48/63/493664863.db2.gz CKECQYIXHBLNLR-HNNXBMFYSA-N 2 2 362.478 0.322 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396912 493665119 /nfs/dbraw/zinc/66/51/19/493665119.db2.gz VAWTWAKDBLYVCZ-KBXCAEBGSA-N 2 2 356.470 0.717 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671396912 493665120 /nfs/dbraw/zinc/66/51/20/493665120.db2.gz VAWTWAKDBLYVCZ-KBXCAEBGSA-N 2 2 356.470 0.717 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000671397048 493665275 /nfs/dbraw/zinc/66/52/75/493665275.db2.gz PZYNWBKPQHNSNX-PBHICJAKSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000671397048 493665279 /nfs/dbraw/zinc/66/52/79/493665279.db2.gz PZYNWBKPQHNSNX-PBHICJAKSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000671398097 493665339 /nfs/dbraw/zinc/66/53/39/493665339.db2.gz BRVVELLVEZYVFP-OAHLLOKOSA-N 2 2 356.470 0.885 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000671398097 493665341 /nfs/dbraw/zinc/66/53/41/493665341.db2.gz BRVVELLVEZYVFP-OAHLLOKOSA-N 2 2 356.470 0.885 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC000664537474 493666819 /nfs/dbraw/zinc/66/68/19/493666819.db2.gz MDQULACRTCQCPW-HOCLYGCPSA-N 2 2 351.495 0.323 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000671507067 493679233 /nfs/dbraw/zinc/67/92/33/493679233.db2.gz IQEQSOJWJSCQAX-MRXNPFEDSA-N 2 2 362.474 0.901 20 0 FCADLP NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000671507067 493679235 /nfs/dbraw/zinc/67/92/35/493679235.db2.gz IQEQSOJWJSCQAX-MRXNPFEDSA-N 2 2 362.474 0.901 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000679506875 493683784 /nfs/dbraw/zinc/68/37/84/493683784.db2.gz NFCVKQSWEVYYHH-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000679506875 493683786 /nfs/dbraw/zinc/68/37/86/493683786.db2.gz NFCVKQSWEVYYHH-UHFFFAOYSA-N 2 2 372.429 0.433 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(C)(C)CO ZINC000664957499 493691752 /nfs/dbraw/zinc/69/17/52/493691752.db2.gz FWAZUVBQUNFGRF-AWEZNQCLSA-N 2 2 353.467 0.501 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(C)(C)CO ZINC000664957499 493691754 /nfs/dbraw/zinc/69/17/54/493691754.db2.gz FWAZUVBQUNFGRF-AWEZNQCLSA-N 2 2 353.467 0.501 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671820343 493707620 /nfs/dbraw/zinc/70/76/20/493707620.db2.gz MECLEGDNRPZESH-AWEZNQCLSA-N 2 2 352.504 0.849 20 0 FCADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000665290503 493707811 /nfs/dbraw/zinc/70/78/11/493707811.db2.gz BNJOIZBXWZZHAW-NSHDSACASA-N 2 2 365.459 0.742 20 0 FCADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665292892 493708038 /nfs/dbraw/zinc/70/80/38/493708038.db2.gz LNDURYBJAFTRJR-LBPRGKRZSA-N 2 2 350.444 0.901 20 0 FCADLP CCCN1C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368050 493712458 /nfs/dbraw/zinc/71/24/58/493712458.db2.gz CEDWORJGMIEBKQ-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368050 493712459 /nfs/dbraw/zinc/71/24/59/493712459.db2.gz CEDWORJGMIEBKQ-WBVHZDCISA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CCSCC3)C2)CC1 ZINC000671913419 493714055 /nfs/dbraw/zinc/71/40/55/493714055.db2.gz ZDFJMOLVZSNNFF-OAHLLOKOSA-N 2 2 368.547 0.531 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3CCSCC3)C2)CC1 ZINC000671913419 493714057 /nfs/dbraw/zinc/71/40/57/493714057.db2.gz ZDFJMOLVZSNNFF-OAHLLOKOSA-N 2 2 368.547 0.531 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672002416 493723131 /nfs/dbraw/zinc/72/31/31/493723131.db2.gz JUQBQEYDAXUEKO-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000672002416 493723133 /nfs/dbraw/zinc/72/31/33/493723133.db2.gz JUQBQEYDAXUEKO-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672010680 493724213 /nfs/dbraw/zinc/72/42/13/493724213.db2.gz XQFUUXZKOBNDBV-INIZCTEOSA-N 2 2 373.501 0.885 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000672013793 493724751 /nfs/dbraw/zinc/72/47/51/493724751.db2.gz GYGHAFZRDXUPSM-OAHLLOKOSA-N 2 2 359.474 0.577 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000665694730 493730124 /nfs/dbraw/zinc/73/01/24/493730124.db2.gz HVDGJNFRZHHBSI-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000665694730 493730125 /nfs/dbraw/zinc/73/01/25/493730125.db2.gz HVDGJNFRZHHBSI-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000665688890 493730492 /nfs/dbraw/zinc/73/04/92/493730492.db2.gz XGUBWRQAYXGKAZ-BBWFWOEESA-N 2 2 361.490 0.985 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099058 493735007 /nfs/dbraw/zinc/73/50/07/493735007.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099058 493735009 /nfs/dbraw/zinc/73/50/09/493735009.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672099058 493735011 /nfs/dbraw/zinc/73/50/11/493735011.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672099058 493735013 /nfs/dbraw/zinc/73/50/13/493735013.db2.gz ZGKUWJPAWXEUTO-HZPDHXFCSA-N 3 2 367.538 0.118 20 0 FCADLP C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000680993210 493740478 /nfs/dbraw/zinc/74/04/78/493740478.db2.gz VQLMFLWEKZLDID-AEFFLSMTSA-N 2 2 363.502 0.968 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217528 493750844 /nfs/dbraw/zinc/75/08/44/493750844.db2.gz QFLOPDUDFVGGGT-AWEZNQCLSA-N 2 2 363.462 0.688 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217528 493750845 /nfs/dbraw/zinc/75/08/45/493750845.db2.gz QFLOPDUDFVGGGT-AWEZNQCLSA-N 2 2 363.462 0.688 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000681216639 493750950 /nfs/dbraw/zinc/75/09/50/493750950.db2.gz IFQNZCVTBIXCDD-SZMVWBNQSA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000681216639 493750953 /nfs/dbraw/zinc/75/09/53/493750953.db2.gz IFQNZCVTBIXCDD-SZMVWBNQSA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000681216639 493750954 /nfs/dbraw/zinc/75/09/54/493750954.db2.gz IFQNZCVTBIXCDD-SZMVWBNQSA-N 3 2 367.538 0.515 20 0 FCADLP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000681216639 493750955 /nfs/dbraw/zinc/75/09/55/493750955.db2.gz IFQNZCVTBIXCDD-SZMVWBNQSA-N 3 2 367.538 0.515 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672306708 493753069 /nfs/dbraw/zinc/75/30/69/493753069.db2.gz VJSSICDNGLQMCC-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672306708 493753071 /nfs/dbraw/zinc/75/30/71/493753071.db2.gz VJSSICDNGLQMCC-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000672329615 493757709 /nfs/dbraw/zinc/75/77/09/493757709.db2.gz IUSJENKLOJUQAJ-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000672329615 493757710 /nfs/dbraw/zinc/75/77/10/493757710.db2.gz IUSJENKLOJUQAJ-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000158586976 674348434 /nfs/dbraw/zinc/34/84/34/674348434.db2.gz DOVNQFDCSSHHOL-UHFFFAOYSA-N 2 2 362.540 0.477 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc[nH+]1 ZINC000192331275 534396508 /nfs/dbraw/zinc/39/65/08/534396508.db2.gz ZPJVHEGRAPCXPX-DLBZAZTESA-N 2 2 361.490 0.986 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000410714105 527805471 /nfs/dbraw/zinc/80/54/71/527805471.db2.gz LRGVFDXBBSDVFG-KRWDZBQOSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000410714105 527805479 /nfs/dbraw/zinc/80/54/79/527805479.db2.gz LRGVFDXBBSDVFG-KRWDZBQOSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700087 527961053 /nfs/dbraw/zinc/96/10/53/527961053.db2.gz JDTBOVOZOCCFHY-TWMKSMIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700087 527961056 /nfs/dbraw/zinc/96/10/56/527961056.db2.gz JDTBOVOZOCCFHY-TWMKSMIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700087 527961061 /nfs/dbraw/zinc/96/10/61/527961061.db2.gz JDTBOVOZOCCFHY-TWMKSMIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000410700087 527961065 /nfs/dbraw/zinc/96/10/65/527961065.db2.gz JDTBOVOZOCCFHY-TWMKSMIVSA-N 2 2 368.522 0.495 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000410926358 528387605 /nfs/dbraw/zinc/38/76/05/528387605.db2.gz PKATYNQCINXACA-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC000410926358 528387612 /nfs/dbraw/zinc/38/76/12/528387612.db2.gz PKATYNQCINXACA-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000410632228 528709942 /nfs/dbraw/zinc/70/99/42/528709942.db2.gz PNRRIDCSGVOYFU-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000410632228 528709947 /nfs/dbraw/zinc/70/99/47/528709947.db2.gz PNRRIDCSGVOYFU-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000410632228 528709949 /nfs/dbraw/zinc/70/99/49/528709949.db2.gz PNRRIDCSGVOYFU-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000410632228 528709958 /nfs/dbraw/zinc/70/99/58/528709958.db2.gz PNRRIDCSGVOYFU-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410701449 528739117 /nfs/dbraw/zinc/73/91/17/528739117.db2.gz VGXGMGGIBKGAOV-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410701449 528739118 /nfs/dbraw/zinc/73/91/18/528739118.db2.gz VGXGMGGIBKGAOV-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410701449 528739122 /nfs/dbraw/zinc/73/91/22/528739122.db2.gz VGXGMGGIBKGAOV-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410701449 528739125 /nfs/dbraw/zinc/73/91/25/528739125.db2.gz VGXGMGGIBKGAOV-INIZCTEOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410704102 528739719 /nfs/dbraw/zinc/73/97/19/528739719.db2.gz YUAZEKGAQGMSDA-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000410704102 528739721 /nfs/dbraw/zinc/73/97/21/528739721.db2.gz YUAZEKGAQGMSDA-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410704102 528739723 /nfs/dbraw/zinc/73/97/23/528739723.db2.gz YUAZEKGAQGMSDA-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410704102 528739729 /nfs/dbraw/zinc/73/97/29/528739729.db2.gz YUAZEKGAQGMSDA-HOTGVXAUSA-N 2 2 368.522 0.089 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410918307 529109985 /nfs/dbraw/zinc/10/99/85/529109985.db2.gz YTFACSSTPGBCPG-OAHLLOKOSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410918307 529109988 /nfs/dbraw/zinc/10/99/88/529109988.db2.gz YTFACSSTPGBCPG-OAHLLOKOSA-N 2 2 362.478 0.168 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000410712560 529351544 /nfs/dbraw/zinc/35/15/44/529351544.db2.gz FDOTZIQTWQPGBF-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419116283 534993523 /nfs/dbraw/zinc/99/35/23/534993523.db2.gz LJBHSOCZPFQTBE-JYJNAYRXSA-N 2 2 354.495 0.188 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423998122 535274003 /nfs/dbraw/zinc/27/40/03/535274003.db2.gz AMUYYBPYPKJMCB-CVEARBPZSA-N 2 2 350.467 0.401 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423998122 535274006 /nfs/dbraw/zinc/27/40/06/535274006.db2.gz AMUYYBPYPKJMCB-CVEARBPZSA-N 2 2 350.467 0.401 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000423563481 535602958 /nfs/dbraw/zinc/60/29/58/535602958.db2.gz OVUONBQXIXNRKK-CYBMUJFWSA-N 2 2 350.467 0.058 20 0 FCADLP CCOCCNC(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435697460 535612226 /nfs/dbraw/zinc/61/22/26/535612226.db2.gz XWZJRUJGLOEIMK-INIZCTEOSA-N 2 2 363.506 1.000 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423585467 535919380 /nfs/dbraw/zinc/91/93/80/535919380.db2.gz WZRIJBLTQYIMDJ-CQSZACIVSA-N 2 2 353.488 0.894 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CC1(C[NH3+])CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000423349372 535957164 /nfs/dbraw/zinc/95/71/64/535957164.db2.gz WJQLGQGXOGGHGA-HOCLYGCPSA-N 2 2 354.495 0.095 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)c1coc(C[NH3+])c1)C(=O)NCC[NH+]1CCOCC1 ZINC000444166127 535974976 /nfs/dbraw/zinc/97/49/76/535974976.db2.gz JPYMAHHVGJREIL-BBRMVZONSA-N 2 2 366.462 0.331 20 0 FCADLP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1Cl ZINC000439843903 535991087 /nfs/dbraw/zinc/99/10/87/535991087.db2.gz SNEGPSWRMUJCLS-UHFFFAOYSA-N 2 2 368.865 0.477 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)n1C ZINC000425359281 536160604 /nfs/dbraw/zinc/16/06/04/536160604.db2.gz RTTQTHZWRVQKNV-UHFFFAOYSA-N 2 2 372.477 0.105 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419351810 537108185 /nfs/dbraw/zinc/10/81/85/537108185.db2.gz JUWKRBRYTOBMKU-KRWDZBQOSA-N 2 2 374.485 0.770 20 0 FCADLP CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831197 546534177 /nfs/dbraw/zinc/53/41/77/546534177.db2.gz SNNATFNEWGPOFO-AEFFLSMTSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831197 546534189 /nfs/dbraw/zinc/53/41/89/546534189.db2.gz SNNATFNEWGPOFO-AEFFLSMTSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000129110805 546567903 /nfs/dbraw/zinc/56/79/03/546567903.db2.gz NLBBJFZSRKFOSC-ULQDDVLXSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000129110805 546567906 /nfs/dbraw/zinc/56/79/06/546567906.db2.gz NLBBJFZSRKFOSC-ULQDDVLXSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000129110805 546567909 /nfs/dbraw/zinc/56/79/09/546567909.db2.gz NLBBJFZSRKFOSC-ULQDDVLXSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000129110805 546567913 /nfs/dbraw/zinc/56/79/13/546567913.db2.gz NLBBJFZSRKFOSC-ULQDDVLXSA-N 2 2 355.527 0.277 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000549978378 547075122 /nfs/dbraw/zinc/07/51/22/547075122.db2.gz ZUFXYDZEWXVDCW-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000549978378 547075126 /nfs/dbraw/zinc/07/51/26/547075126.db2.gz ZUFXYDZEWXVDCW-CABCVRRESA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000550134892 547079138 /nfs/dbraw/zinc/07/91/38/547079138.db2.gz HXKWNYILPVGMMR-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000550645971 547092580 /nfs/dbraw/zinc/09/25/80/547092580.db2.gz QWUJIMPTSGKKLL-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000550645971 547092586 /nfs/dbraw/zinc/09/25/86/547092586.db2.gz QWUJIMPTSGKKLL-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000550687155 547097697 /nfs/dbraw/zinc/09/76/97/547097697.db2.gz RQGSDQPSFQUALB-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000550687155 547097702 /nfs/dbraw/zinc/09/77/02/547097702.db2.gz RQGSDQPSFQUALB-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000553092445 547252890 /nfs/dbraw/zinc/25/28/90/547252890.db2.gz FZXBSMJQXXBZDB-NVXWUHKLSA-N 2 2 354.564 0.956 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2)CC1 ZINC000553255495 547263250 /nfs/dbraw/zinc/26/32/50/547263250.db2.gz HMRIRQVOOUUIKA-SFHVURJKSA-N 2 2 371.547 0.876 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553615226 547293654 /nfs/dbraw/zinc/29/36/54/547293654.db2.gz GBTWPKXZIGCIOW-CVEARBPZSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000553618544 547294843 /nfs/dbraw/zinc/29/48/43/547294843.db2.gz UFLCTSCTBSQGKV-WCVJEAGWSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000553618544 547294846 /nfs/dbraw/zinc/29/48/46/547294846.db2.gz UFLCTSCTBSQGKV-WCVJEAGWSA-N 2 2 354.495 0.010 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH+](CC2CCC2)CC1 ZINC000949416912 674404155 /nfs/dbraw/zinc/40/41/55/674404155.db2.gz KJBVCFSVGYOXED-MSOLQXFVSA-N 2 2 351.491 0.811 20 0 FCADLP c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738410338 599102338 /nfs/dbraw/zinc/10/23/38/599102338.db2.gz JYQBADIHLYQMOS-KRWDZBQOSA-N 2 2 357.462 0.363 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000738412050 599102604 /nfs/dbraw/zinc/10/26/04/599102604.db2.gz FIKXDJDCNZDCLV-QGZVFWFLSA-N 2 2 357.462 0.363 20 0 FCADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570248 598509324 /nfs/dbraw/zinc/50/93/24/598509324.db2.gz XCZRGKLWYVVONV-GOSISDBHSA-N 2 2 371.489 0.705 20 0 FCADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570248 598509325 /nfs/dbraw/zinc/50/93/25/598509325.db2.gz XCZRGKLWYVVONV-GOSISDBHSA-N 2 2 371.489 0.705 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091555641 674523732 /nfs/dbraw/zinc/52/37/32/674523732.db2.gz LOSUCADAIOGIJE-UHFFFAOYSA-N 2 2 350.385 0.295 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000956933974 674531460 /nfs/dbraw/zinc/53/14/60/674531460.db2.gz ZQWQZIBIVAPWMO-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000956933974 674531463 /nfs/dbraw/zinc/53/14/63/674531463.db2.gz ZQWQZIBIVAPWMO-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)CC1 ZINC000821621723 606265303 /nfs/dbraw/zinc/26/53/03/606265303.db2.gz CYJHEIOLYYPOLB-UHFFFAOYSA-N 2 2 358.450 0.483 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821622263 606321762 /nfs/dbraw/zinc/32/17/62/606321762.db2.gz XWJZEZQNTYBLJB-AWEZNQCLSA-N 2 2 358.450 0.435 20 0 FCADLP CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821622263 606321760 /nfs/dbraw/zinc/32/17/60/606321760.db2.gz XWJZEZQNTYBLJB-AWEZNQCLSA-N 2 2 358.450 0.435 20 0 FCADLP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000823748419 606421307 /nfs/dbraw/zinc/42/13/07/606421307.db2.gz WNYVRMZCDHGQBX-CYBMUJFWSA-N 2 2 363.491 0.424 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cn2)CC1 ZINC000821628267 606794666 /nfs/dbraw/zinc/79/46/66/606794666.db2.gz DUQAGUVORBAMEL-UHFFFAOYSA-N 2 2 365.445 0.698 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000822190769 607035444 /nfs/dbraw/zinc/03/54/44/607035444.db2.gz AFNYVMXGIJIYRZ-AWEZNQCLSA-N 2 2 370.461 0.621 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000822190769 607035445 /nfs/dbraw/zinc/03/54/45/607035445.db2.gz AFNYVMXGIJIYRZ-AWEZNQCLSA-N 2 2 370.461 0.621 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625670 607073855 /nfs/dbraw/zinc/07/38/55/607073855.db2.gz UATMLHNZZOQKCG-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625670 607073857 /nfs/dbraw/zinc/07/38/57/607073857.db2.gz UATMLHNZZOQKCG-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625670 607073859 /nfs/dbraw/zinc/07/38/59/607073859.db2.gz UATMLHNZZOQKCG-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625670 607073860 /nfs/dbraw/zinc/07/38/60/607073860.db2.gz UATMLHNZZOQKCG-IAGOWNOFSA-N 2 2 369.473 0.899 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625560 607105018 /nfs/dbraw/zinc/10/50/18/607105018.db2.gz QNZGHVPHJCGWPW-PMPSAXMXSA-N 2 2 355.446 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625560 607105020 /nfs/dbraw/zinc/10/50/20/607105020.db2.gz QNZGHVPHJCGWPW-PMPSAXMXSA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625560 607105022 /nfs/dbraw/zinc/10/50/22/607105022.db2.gz QNZGHVPHJCGWPW-PMPSAXMXSA-N 2 2 355.446 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625560 607105024 /nfs/dbraw/zinc/10/50/24/607105024.db2.gz QNZGHVPHJCGWPW-PMPSAXMXSA-N 2 2 355.446 0.809 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826331214 608105098 /nfs/dbraw/zinc/10/50/98/608105098.db2.gz ZCDSJAAERFXFDP-UHFFFAOYSA-N 2 2 353.434 0.979 20 0 FCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584971 609141355 /nfs/dbraw/zinc/14/13/55/609141355.db2.gz KOEGUNOUALZFEX-LBPRGKRZSA-N 2 2 361.425 0.821 20 0 FCADLP Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825856164 609342812 /nfs/dbraw/zinc/34/28/12/609342812.db2.gz PXTKMRDSFLCRPJ-SFHVURJKSA-N 2 2 370.461 0.669 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[NH2+]C1 ZINC000891538359 663413004 /nfs/dbraw/zinc/41/30/04/663413004.db2.gz VSUVQNLUXJTZQP-HNNXBMFYSA-N 2 2 374.551 0.573 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782365 663428540 /nfs/dbraw/zinc/42/85/40/663428540.db2.gz UTPAZBFUFYXHTB-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782365 663428542 /nfs/dbraw/zinc/42/85/42/663428542.db2.gz UTPAZBFUFYXHTB-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782365 663428543 /nfs/dbraw/zinc/42/85/43/663428543.db2.gz UTPAZBFUFYXHTB-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(F)cn3)C2)O1 ZINC000971782365 663428544 /nfs/dbraw/zinc/42/85/44/663428544.db2.gz UTPAZBFUFYXHTB-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039117 663868068 /nfs/dbraw/zinc/86/80/68/663868068.db2.gz OYRUEFWOWOPNAL-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039117 663868070 /nfs/dbraw/zinc/86/80/70/663868070.db2.gz OYRUEFWOWOPNAL-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880116 664152992 /nfs/dbraw/zinc/15/29/92/664152992.db2.gz ZWPTWUULJVCHNW-OLZOCXBDSA-N 2 2 365.503 0.875 20 0 FCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000892879797 664153114 /nfs/dbraw/zinc/15/31/14/664153114.db2.gz TVWMZLHZQDYCAW-TXEJJXNPSA-N 2 2 351.476 0.533 20 0 FCADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000892879797 664153115 /nfs/dbraw/zinc/15/31/15/664153115.db2.gz TVWMZLHZQDYCAW-TXEJJXNPSA-N 2 2 351.476 0.533 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000892926586 664155136 /nfs/dbraw/zinc/15/51/36/664155136.db2.gz LIZUWNLIVMEVJO-UHFFFAOYSA-N 2 2 357.252 0.803 20 0 FCADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929854 664155468 /nfs/dbraw/zinc/15/54/68/664155468.db2.gz MBFPLUXARARZBS-CVEARBPZSA-N 2 2 372.535 0.374 20 0 FCADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929854 664155470 /nfs/dbraw/zinc/15/54/70/664155470.db2.gz MBFPLUXARARZBS-CVEARBPZSA-N 2 2 372.535 0.374 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001027965873 664479489 /nfs/dbraw/zinc/47/94/89/664479489.db2.gz HFVAIYFRXLODJR-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001027965873 664479492 /nfs/dbraw/zinc/47/94/92/664479492.db2.gz HFVAIYFRXLODJR-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCn2cc(Cl)cn2)O1 ZINC001027965873 664479494 /nfs/dbraw/zinc/47/94/94/664479494.db2.gz HFVAIYFRXLODJR-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCn2cc(Cl)cn2)O1 ZINC001027965873 664479497 /nfs/dbraw/zinc/47/94/97/664479497.db2.gz HFVAIYFRXLODJR-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028549950 664901774 /nfs/dbraw/zinc/90/17/74/664901774.db2.gz CPCKULCHLVMVLD-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028549950 664901775 /nfs/dbraw/zinc/90/17/75/664901775.db2.gz CPCKULCHLVMVLD-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001028549950 664901776 /nfs/dbraw/zinc/90/17/76/664901776.db2.gz CPCKULCHLVMVLD-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001028549950 664901779 /nfs/dbraw/zinc/90/17/79/664901779.db2.gz CPCKULCHLVMVLD-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP Cc1conc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766755 665171363 /nfs/dbraw/zinc/17/13/63/665171363.db2.gz FZTWFPPGYQMSFU-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1conc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766755 665171365 /nfs/dbraw/zinc/17/13/65/665171365.db2.gz FZTWFPPGYQMSFU-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1conc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766755 665171366 /nfs/dbraw/zinc/17/13/66/665171366.db2.gz FZTWFPPGYQMSFU-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1conc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766755 665171367 /nfs/dbraw/zinc/17/13/67/665171367.db2.gz FZTWFPPGYQMSFU-HLLBOEOZSA-N 2 2 350.463 0.982 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897466000 665290030 /nfs/dbraw/zinc/29/00/30/665290030.db2.gz MENUZPHZRRFCSZ-MAUKXSAKSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897466000 665290031 /nfs/dbraw/zinc/29/00/31/665290031.db2.gz MENUZPHZRRFCSZ-MAUKXSAKSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@H]1CC[NH+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000897466000 665290033 /nfs/dbraw/zinc/29/00/33/665290033.db2.gz MENUZPHZRRFCSZ-MAUKXSAKSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@H]1CC[NH+](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000897466000 665290035 /nfs/dbraw/zinc/29/00/35/665290035.db2.gz MENUZPHZRRFCSZ-MAUKXSAKSA-N 2 2 354.495 0.243 20 0 FCADLP O=S(=O)(CC1CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000905331202 666019224 /nfs/dbraw/zinc/01/92/24/666019224.db2.gz LBKWEDAVINKMSO-UHFFFAOYSA-N 2 2 359.536 0.941 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000905664489 666033252 /nfs/dbraw/zinc/03/32/52/666033252.db2.gz MFWYMLQEUKJIFA-QGZVFWFLSA-N 2 2 355.504 0.495 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000905664489 666033257 /nfs/dbraw/zinc/03/32/57/666033257.db2.gz MFWYMLQEUKJIFA-QGZVFWFLSA-N 2 2 355.504 0.495 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CONC(=O)OC(C)(C)C ZINC000906676415 666062259 /nfs/dbraw/zinc/06/22/59/666062259.db2.gz DIWHFTVQLVQFRT-UHFFFAOYSA-N 2 2 358.483 0.927 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CONC(=O)OC(C)(C)C ZINC000906676415 666062261 /nfs/dbraw/zinc/06/22/61/666062261.db2.gz DIWHFTVQLVQFRT-UHFFFAOYSA-N 2 2 358.483 0.927 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000907595144 666146077 /nfs/dbraw/zinc/14/60/77/666146077.db2.gz UVDQEIZKPDERSF-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000907595144 666146079 /nfs/dbraw/zinc/14/60/79/666146079.db2.gz UVDQEIZKPDERSF-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000907595144 666146081 /nfs/dbraw/zinc/14/60/81/666146081.db2.gz UVDQEIZKPDERSF-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000907595144 666146082 /nfs/dbraw/zinc/14/60/82/666146082.db2.gz UVDQEIZKPDERSF-HNNXBMFYSA-N 2 2 355.479 0.177 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000907837698 666165340 /nfs/dbraw/zinc/16/53/40/666165340.db2.gz VOWWBJGJSYHAEN-UHFFFAOYSA-N 2 2 354.539 0.972 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000907837698 666165342 /nfs/dbraw/zinc/16/53/42/666165342.db2.gz VOWWBJGJSYHAEN-UHFFFAOYSA-N 2 2 354.539 0.972 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000907835907 666165384 /nfs/dbraw/zinc/16/53/84/666165384.db2.gz KWASTAAZQUUSNA-SFHVURJKSA-N 2 2 354.539 0.972 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181070105 666499130 /nfs/dbraw/zinc/49/91/30/666499130.db2.gz UMROPYDGKVCXEC-OAHLLOKOSA-N 2 2 351.451 0.894 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181070105 666499132 /nfs/dbraw/zinc/49/91/32/666499132.db2.gz UMROPYDGKVCXEC-OAHLLOKOSA-N 2 2 351.451 0.894 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000069475354 666514171 /nfs/dbraw/zinc/51/41/71/666514171.db2.gz KPDKOBDOQPMSQM-INIZCTEOSA-N 2 2 372.535 0.279 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000069475354 666514173 /nfs/dbraw/zinc/51/41/73/666514173.db2.gz KPDKOBDOQPMSQM-INIZCTEOSA-N 2 2 372.535 0.279 20 0 FCADLP CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991974159 666611115 /nfs/dbraw/zinc/61/11/15/666611115.db2.gz LEKPEZRONXNCHJ-VUHPKUFZSA-N 2 2 351.491 0.999 20 0 FCADLP CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991974159 666611118 /nfs/dbraw/zinc/61/11/18/666611118.db2.gz LEKPEZRONXNCHJ-VUHPKUFZSA-N 2 2 351.491 0.999 20 0 FCADLP CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991974150 666611164 /nfs/dbraw/zinc/61/11/64/666611164.db2.gz LEKPEZRONXNCHJ-DFEOGRTESA-N 2 2 351.491 0.999 20 0 FCADLP CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CCC[C@H]12 ZINC000991974150 666611165 /nfs/dbraw/zinc/61/11/65/666611165.db2.gz LEKPEZRONXNCHJ-DFEOGRTESA-N 2 2 351.491 0.999 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731752743 666837645 /nfs/dbraw/zinc/83/76/45/666837645.db2.gz OAUXJKZOKNMTGJ-HNNXBMFYSA-N 2 2 374.551 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731752743 666837649 /nfs/dbraw/zinc/83/76/49/666837649.db2.gz OAUXJKZOKNMTGJ-HNNXBMFYSA-N 2 2 374.551 0.525 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759423 666838325 /nfs/dbraw/zinc/83/83/25/666838325.db2.gz NRDKYIXNBWKEIZ-CQSZACIVSA-N 2 2 362.540 0.525 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000996685612 666958288 /nfs/dbraw/zinc/95/82/88/666958288.db2.gz SXIDWDRQNVGAHM-BPLDGKMQSA-N 2 2 366.487 0.529 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000996685612 666958291 /nfs/dbraw/zinc/95/82/91/666958291.db2.gz SXIDWDRQNVGAHM-BPLDGKMQSA-N 2 2 366.487 0.529 20 0 FCADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918914476 667141216 /nfs/dbraw/zinc/14/12/16/667141216.db2.gz TTZMHXUAGBAUEB-XGUBFFRZSA-N 2 2 351.495 0.462 20 0 FCADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918914476 667141219 /nfs/dbraw/zinc/14/12/19/667141219.db2.gz TTZMHXUAGBAUEB-XGUBFFRZSA-N 2 2 351.495 0.462 20 0 FCADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000997859752 667177849 /nfs/dbraw/zinc/17/78/49/667177849.db2.gz LYYSOSIPGXSEBR-IUODEOHRSA-N 2 2 350.467 0.160 20 0 FCADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000997859752 667177851 /nfs/dbraw/zinc/17/78/51/667177851.db2.gz LYYSOSIPGXSEBR-IUODEOHRSA-N 2 2 350.467 0.160 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC000999188491 667230107 /nfs/dbraw/zinc/23/01/07/667230107.db2.gz AYGHFEWLRMEUCM-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC000999188491 667230111 /nfs/dbraw/zinc/23/01/11/667230111.db2.gz AYGHFEWLRMEUCM-MGPQQGTHSA-N 2 2 350.467 0.556 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000999495947 667242040 /nfs/dbraw/zinc/24/20/40/667242040.db2.gz MSRMKSYIQNDVKW-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000999495947 667242042 /nfs/dbraw/zinc/24/20/42/667242042.db2.gz MSRMKSYIQNDVKW-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923334732 667826206 /nfs/dbraw/zinc/82/62/06/667826206.db2.gz XOVUOXYUCGCAPZ-LSDHHAIUSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000923334732 667826210 /nfs/dbraw/zinc/82/62/10/667826210.db2.gz XOVUOXYUCGCAPZ-LSDHHAIUSA-N 2 2 351.422 0.462 20 0 FCADLP CCCN1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@H]1COC ZINC000761306306 667886139 /nfs/dbraw/zinc/88/61/39/667886139.db2.gz VGKXMEAJIAQDPI-HZPDHXFCSA-N 2 2 352.479 0.844 20 0 FCADLP CCCN1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@H]1COC ZINC000761306306 667886146 /nfs/dbraw/zinc/88/61/46/667886146.db2.gz VGKXMEAJIAQDPI-HZPDHXFCSA-N 2 2 352.479 0.844 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763130314 667944198 /nfs/dbraw/zinc/94/41/98/667944198.db2.gz POEAKVVVBTXOBF-SJORKVTESA-N 2 2 370.563 0.816 20 0 FCADLP CC[NH+](CC)CCN(C(=S)NCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000839415975 668003404 /nfs/dbraw/zinc/00/34/04/668003404.db2.gz FGDDEOVKPULTBW-AWEZNQCLSA-N 2 2 364.581 0.253 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741863657 668024248 /nfs/dbraw/zinc/02/42/48/668024248.db2.gz MNTSABSVDMMEFT-INIZCTEOSA-N 2 2 356.536 0.237 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511551 668154126 /nfs/dbraw/zinc/15/41/26/668154126.db2.gz TUUAEAQOAWSZNZ-GOEBONIOSA-N 2 2 350.463 0.080 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC=CO3)C2)CC1 ZINC000805511551 668154129 /nfs/dbraw/zinc/15/41/29/668154129.db2.gz TUUAEAQOAWSZNZ-GOEBONIOSA-N 2 2 350.463 0.080 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC000821025407 669150922 /nfs/dbraw/zinc/15/09/22/669150922.db2.gz FSXLUSFLLTXGLN-ZIFCJYIRSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC000821025407 669150924 /nfs/dbraw/zinc/15/09/24/669150924.db2.gz FSXLUSFLLTXGLN-ZIFCJYIRSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000821968867 669235244 /nfs/dbraw/zinc/23/52/44/669235244.db2.gz PWNTXJWVQFQIHQ-UHFFFAOYSA-N 2 2 354.476 0.561 20 0 FCADLP CS[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209740 669398641 /nfs/dbraw/zinc/39/86/41/669398641.db2.gz ARDKEQBHADFPIU-IIAWOOMASA-N 2 2 368.547 0.671 20 0 FCADLP CS[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000806209740 669398648 /nfs/dbraw/zinc/39/86/48/669398648.db2.gz ARDKEQBHADFPIU-IIAWOOMASA-N 2 2 368.547 0.671 20 0 FCADLP C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@]2(C)C1 ZINC000827597983 669582625 /nfs/dbraw/zinc/58/26/25/669582625.db2.gz IDWNDSOEDFBNOL-UKBAYJJMSA-N 2 2 351.491 0.666 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000829115388 669684412 /nfs/dbraw/zinc/68/44/12/669684412.db2.gz FOGGWUXDXVVLFQ-MRXNPFEDSA-N 2 2 353.488 0.702 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000817287128 670006339 /nfs/dbraw/zinc/00/63/39/670006339.db2.gz KLWPIEUREKOELL-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000817287128 670006344 /nfs/dbraw/zinc/00/63/44/670006344.db2.gz KLWPIEUREKOELL-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000817287128 670006347 /nfs/dbraw/zinc/00/63/47/670006347.db2.gz KLWPIEUREKOELL-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000817287128 670006349 /nfs/dbraw/zinc/00/63/49/670006349.db2.gz KLWPIEUREKOELL-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)NCC(=O)NC(C)C)CC2)CC1 ZINC000817566222 670018083 /nfs/dbraw/zinc/01/80/83/670018083.db2.gz LOKCYQXLNMUSIL-UHFFFAOYSA-N 2 2 369.579 0.878 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)NCC(=O)NC(C)C)CC2)CC1 ZINC000817566222 670018087 /nfs/dbraw/zinc/01/80/87/670018087.db2.gz LOKCYQXLNMUSIL-UHFFFAOYSA-N 2 2 369.579 0.878 20 0 FCADLP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817891531 670047105 /nfs/dbraw/zinc/04/71/05/670047105.db2.gz CLJMEHYYEJFUHS-DLBZAZTESA-N 2 2 353.488 0.463 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000844184374 670907069 /nfs/dbraw/zinc/90/70/69/670907069.db2.gz LDKXGTJEQSLESD-UHFFFAOYSA-N 2 2 365.499 0.108 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000845047599 670960921 /nfs/dbraw/zinc/96/09/21/670960921.db2.gz OCSAXUXWPUKKSB-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000845047599 670960923 /nfs/dbraw/zinc/96/09/23/670960923.db2.gz OCSAXUXWPUKKSB-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000851889949 671477154 /nfs/dbraw/zinc/47/71/54/671477154.db2.gz HZQUMYIZRDEAGI-CQSZACIVSA-N 2 2 350.463 0.725 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000851889949 671477156 /nfs/dbraw/zinc/47/71/56/671477156.db2.gz HZQUMYIZRDEAGI-CQSZACIVSA-N 2 2 350.463 0.725 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000851889948 671477269 /nfs/dbraw/zinc/47/72/69/671477269.db2.gz HZQUMYIZRDEAGI-AWEZNQCLSA-N 2 2 350.463 0.725 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000851889948 671477270 /nfs/dbraw/zinc/47/72/70/671477270.db2.gz HZQUMYIZRDEAGI-AWEZNQCLSA-N 2 2 350.463 0.725 20 0 FCADLP C[C@H]([NH3+])CN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000861565087 671972712 /nfs/dbraw/zinc/97/27/12/671972712.db2.gz FOTRLGPFVIADNC-HNNXBMFYSA-N 2 2 350.463 0.886 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\CN3CCOCC3)CC2)CC1 ZINC000865064568 672223578 /nfs/dbraw/zinc/22/35/78/672223578.db2.gz WLTJHLSLRJZXOY-IHWYPQMZSA-N 2 2 350.507 0.550 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)CC1 ZINC000868923956 672414901 /nfs/dbraw/zinc/41/49/01/672414901.db2.gz UHMAAWHSJZJZDA-IBGZPJMESA-N 2 2 350.507 0.921 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)CC1 ZINC000868923956 672414902 /nfs/dbraw/zinc/41/49/02/672414902.db2.gz UHMAAWHSJZJZDA-IBGZPJMESA-N 2 2 350.507 0.921 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000875056867 672825029 /nfs/dbraw/zinc/82/50/29/672825029.db2.gz UMYZTWAFOXFTGQ-QGZVFWFLSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000875056867 672825035 /nfs/dbraw/zinc/82/50/35/672825035.db2.gz UMYZTWAFOXFTGQ-QGZVFWFLSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000875312971 672866815 /nfs/dbraw/zinc/86/68/15/672866815.db2.gz KORJDVZGQGDNHS-SJORKVTESA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000875312971 672866821 /nfs/dbraw/zinc/86/68/21/672866821.db2.gz KORJDVZGQGDNHS-SJORKVTESA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000875401040 672877915 /nfs/dbraw/zinc/87/79/15/672877915.db2.gz ULWDPPCBJVBNLM-HOTGVXAUSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000875401040 672877919 /nfs/dbraw/zinc/87/79/19/672877919.db2.gz ULWDPPCBJVBNLM-HOTGVXAUSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000877443047 673014197 /nfs/dbraw/zinc/01/41/97/673014197.db2.gz BQYAHWQRJAOUGE-BFYDXBDKSA-N 2 2 350.507 0.953 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000877443051 673014460 /nfs/dbraw/zinc/01/44/60/673014460.db2.gz BQYAHWQRJAOUGE-INMHGKMJSA-N 2 2 350.507 0.953 20 0 FCADLP OC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000877763508 673026524 /nfs/dbraw/zinc/02/65/24/673026524.db2.gz AJLWLQJFHIXOEC-HDICACEKSA-N 2 2 350.459 0.430 20 0 FCADLP OC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000877763508 673026530 /nfs/dbraw/zinc/02/65/30/673026530.db2.gz AJLWLQJFHIXOEC-HDICACEKSA-N 2 2 350.459 0.430 20 0 FCADLP COCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000879705731 673138111 /nfs/dbraw/zinc/13/81/11/673138111.db2.gz IVRKQMRYVPIAKF-UHFFFAOYSA-N 2 2 357.495 0.341 20 0 FCADLP COCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000879705731 673138117 /nfs/dbraw/zinc/13/81/17/673138117.db2.gz IVRKQMRYVPIAKF-UHFFFAOYSA-N 2 2 357.495 0.341 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nccs2)C1 ZINC001051834699 676112066 /nfs/dbraw/zinc/11/20/66/676112066.db2.gz USNNHWRTYSCXKM-MGPQQGTHSA-N 2 2 361.471 0.997 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cnns3)CC2)O1 ZINC001052489334 676124333 /nfs/dbraw/zinc/12/43/33/676124333.db2.gz OFUJLLGMDVKKNK-VNHYZAJKSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cnns3)CC2)O1 ZINC001052489334 676124336 /nfs/dbraw/zinc/12/43/36/676124336.db2.gz OFUJLLGMDVKKNK-VNHYZAJKSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cnns3)CC2)O1 ZINC001052489334 676124339 /nfs/dbraw/zinc/12/43/39/676124339.db2.gz OFUJLLGMDVKKNK-VNHYZAJKSA-N 2 2 353.492 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cnns3)CC2)O1 ZINC001052489334 676124341 /nfs/dbraw/zinc/12/43/41/676124341.db2.gz OFUJLLGMDVKKNK-VNHYZAJKSA-N 2 2 353.492 0.728 20 0 FCADLP CC(=O)NC1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000883371015 673372136 /nfs/dbraw/zinc/37/21/36/673372136.db2.gz XCAQBHYDCYQBSE-CTWPCTMYSA-N 2 2 352.523 0.820 20 0 FCADLP CO[C@@H]1COCC[C@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000883417139 673374427 /nfs/dbraw/zinc/37/44/27/673374427.db2.gz OMRHVLVOYSRSGN-DJIMGWMZSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1COCC[C@H]1N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000883417139 673374429 /nfs/dbraw/zinc/37/44/29/673374429.db2.gz OMRHVLVOYSRSGN-DJIMGWMZSA-N 2 2 354.495 0.600 20 0 FCADLP 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355.870 0.446 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001014923297 675393693 /nfs/dbraw/zinc/39/36/93/675393693.db2.gz HTPDMLPYEQEEOP-BPLDGKMQSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001014923297 675393697 /nfs/dbraw/zinc/39/36/97/675393697.db2.gz HTPDMLPYEQEEOP-BPLDGKMQSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001014923297 675393700 /nfs/dbraw/zinc/39/37/00/675393700.db2.gz HTPDMLPYEQEEOP-BPLDGKMQSA-N 2 2 355.870 0.446 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019030958 675420194 /nfs/dbraw/zinc/42/01/94/675420194.db2.gz BVWZKHMMPJVKHB-VHDGCEQUSA-N 2 2 350.467 0.016 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019030958 675420198 /nfs/dbraw/zinc/42/01/98/675420198.db2.gz BVWZKHMMPJVKHB-VHDGCEQUSA-N 2 2 350.467 0.016 20 0 FCADLP 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1167985688 /nfs/dbraw/zinc/98/56/88/1167985688.db2.gz WZPQSOCRTBFXEG-DJIMGWMZSA-N 2 2 363.506 0.998 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001020604127 1168149554 /nfs/dbraw/zinc/14/95/54/1168149554.db2.gz YQCQLZWNFDQDMH-HBJVGIJOSA-N 2 2 356.434 0.282 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C1CC1 ZINC001020603980 1168150071 /nfs/dbraw/zinc/15/00/71/1168150071.db2.gz QYSHTFFFLLDAEK-JQPXUNLUSA-N 2 2 370.461 0.843 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001167271327 1168481715 /nfs/dbraw/zinc/48/17/15/1168481715.db2.gz LVAZUVNGUTXDFE-HUUCEWRRSA-N 2 2 359.474 0.678 20 0 FCADLP CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167270855 1168482283 /nfs/dbraw/zinc/48/22/83/1168482283.db2.gz BSQQZLHCNKMERK-HUUCEWRRSA-N 2 2 361.490 0.878 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001021235608 1168848042 /nfs/dbraw/zinc/84/80/42/1168848042.db2.gz KABQJVWMYZASND-RRFJBIMHSA-N 2 2 359.474 0.841 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001021235608 1168848043 /nfs/dbraw/zinc/84/80/43/1168848043.db2.gz KABQJVWMYZASND-RRFJBIMHSA-N 2 2 359.474 0.841 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CNc1[nH+]cnc2c1cnn2C ZINC001104268928 1168875792 /nfs/dbraw/zinc/87/57/92/1168875792.db2.gz VYCZELJPUVFEIK-YRGRVCCFSA-N 2 2 361.450 0.247 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CNc1[nH+]cnc2c1cnn2C ZINC001104268928 1168875793 /nfs/dbraw/zinc/87/57/93/1168875793.db2.gz VYCZELJPUVFEIK-YRGRVCCFSA-N 2 2 361.450 0.247 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000970639222 1169227673 /nfs/dbraw/zinc/22/76/73/1169227673.db2.gz YIKBESGTUGYMQY-JLZZUVOBSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000970639222 1169227683 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/nfs/dbraw/zinc/89/31/91/1169893191.db2.gz HQNOUAWGFDQNLL-SOUVJXGZSA-N 2 2 359.474 0.698 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751569 1169979480 /nfs/dbraw/zinc/97/94/80/1169979480.db2.gz ICZOQQSPEQVOBD-RYQLBKOJSA-N 2 2 371.485 0.364 20 0 FCADLP CCn1ccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141101 1170008888 /nfs/dbraw/zinc/00/88/88/1170008888.db2.gz BLYQOXZAKRYROU-IKGGRYGDSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141101 1170008896 /nfs/dbraw/zinc/00/88/96/1170008896.db2.gz BLYQOXZAKRYROU-IKGGRYGDSA-N 2 2 363.506 0.950 20 0 FCADLP CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C)C(N)=O ZINC001104345216 1170124143 /nfs/dbraw/zinc/12/41/43/1170124143.db2.gz DSWNVLUWSIUFDY-FMKPAKJESA-N 2 2 362.474 0.971 20 0 FCADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000123984497 1170216029 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/nfs/dbraw/zinc/76/64/69/1170766469.db2.gz RPVJLOBFPBJIOB-HLLBOEOZSA-N 2 2 371.485 0.743 20 0 FCADLP COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC000971781382 1170822938 /nfs/dbraw/zinc/82/29/38/1170822938.db2.gz IVJLZSSOCSRGPH-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC000971781382 1170822939 /nfs/dbraw/zinc/82/29/39/1170822939.db2.gz IVJLZSSOCSRGPH-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000971781382 1170822940 /nfs/dbraw/zinc/82/29/40/1170822940.db2.gz IVJLZSSOCSRGPH-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC000971781382 1170822941 /nfs/dbraw/zinc/82/29/41/1170822941.db2.gz IVJLZSSOCSRGPH-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001691240304 1170880100 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/nfs/dbraw/zinc/60/26/31/1171602631.db2.gz AEKWKOQEZBYKEV-HYVNUMGLSA-N 2 2 366.506 0.153 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083237862 1171602644 /nfs/dbraw/zinc/60/26/44/1171602644.db2.gz AEKWKOQEZBYKEV-HYVNUMGLSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC001022723763 1171817713 /nfs/dbraw/zinc/81/77/13/1171817713.db2.gz FKQDKZGAUAWMHK-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]21 ZINC000972252269 1171888459 /nfs/dbraw/zinc/88/84/59/1171888459.db2.gz DCDSPOUOJUHGJB-JFIYKMOQSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000972254145 1171890313 /nfs/dbraw/zinc/89/03/13/1171890313.db2.gz VOGXAGDESMACAX-GDBMZVCRSA-N 2 2 356.430 0.227 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248221 1172003831 /nfs/dbraw/zinc/00/38/31/1172003831.db2.gz XFSYWHTXAZHUAF-RYQLBKOJSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248221 1172003835 /nfs/dbraw/zinc/00/38/35/1172003835.db2.gz XFSYWHTXAZHUAF-RYQLBKOJSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248221 1172003846 /nfs/dbraw/zinc/00/38/46/1172003846.db2.gz XFSYWHTXAZHUAF-RYQLBKOJSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248221 1172003851 /nfs/dbraw/zinc/00/38/51/1172003851.db2.gz XFSYWHTXAZHUAF-RYQLBKOJSA-N 2 2 361.490 0.482 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC000972375882 1172031916 /nfs/dbraw/zinc/03/19/16/1172031916.db2.gz QVFAQLHFUXXFSC-ARFHVFGLSA-N 2 2 359.474 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC000972375882 1172031925 /nfs/dbraw/zinc/03/19/25/1172031925.db2.gz QVFAQLHFUXXFSC-ARFHVFGLSA-N 2 2 359.474 0.679 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1 ZINC000988989108 1192616727 /nfs/dbraw/zinc/61/67/27/1192616727.db2.gz OUTBFIXGRKSXKI-OWCLPIDISA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1 ZINC000988989108 1192616733 /nfs/dbraw/zinc/61/67/33/1192616733.db2.gz OUTBFIXGRKSXKI-OWCLPIDISA-N 2 2 363.462 0.018 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989054423 1192663670 /nfs/dbraw/zinc/66/36/70/1192663670.db2.gz QYTZOBJIRRCFBB-ZBFHGGJFSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000989061819 1192667204 /nfs/dbraw/zinc/66/72/04/1192667204.db2.gz RCSRDMPVUPRPIB-VYDXJSESSA-N 2 2 371.485 0.647 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@H]2C)n1 ZINC001088678425 1192817293 /nfs/dbraw/zinc/81/72/93/1192817293.db2.gz UCFDVKLTLWTAOH-COXVUDFISA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@H]2C)n1 ZINC001088678425 1192817295 /nfs/dbraw/zinc/81/72/95/1192817295.db2.gz UCFDVKLTLWTAOH-COXVUDFISA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C)n1 ZINC001088679293 1192818521 /nfs/dbraw/zinc/81/85/21/1192818521.db2.gz LMIFISSHRILPHO-QBIMZIAESA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C)n1 ZINC001088679293 1192818522 /nfs/dbraw/zinc/81/85/22/1192818522.db2.gz LMIFISSHRILPHO-QBIMZIAESA-N 2 2 371.489 0.933 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000898017165 1192854943 /nfs/dbraw/zinc/85/49/43/1192854943.db2.gz KDSYNFAFFUBFSB-GJZGRUSLSA-N 2 2 368.441 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000989538746 1192884042 /nfs/dbraw/zinc/88/40/42/1192884042.db2.gz OMVCWQYOAKKLSK-HIFRSBDPSA-N 2 2 359.430 0.957 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)C1CC1 ZINC001691572903 1192889013 /nfs/dbraw/zinc/88/90/13/1192889013.db2.gz FHIDKCGZDYWEPD-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)C1CC1 ZINC001691572903 1192889014 /nfs/dbraw/zinc/88/90/14/1192889014.db2.gz FHIDKCGZDYWEPD-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001087236051 1179038920 /nfs/dbraw/zinc/03/89/20/1179038920.db2.gz FYCRLRIPSUQYFK-PVAVHDDUSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001087236543 1179063966 /nfs/dbraw/zinc/06/39/66/1179063966.db2.gz ZSIVLTKRFILAPK-INMHGKMJSA-N 2 2 371.489 0.958 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCN1CCNC1=O ZINC001104468860 1179077577 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/nfs/dbraw/zinc/68/87/74/1180688774.db2.gz IEVQADJIDPZKQD-BFYDXBDKSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2O)CC1 ZINC001024411625 1181168064 /nfs/dbraw/zinc/16/80/64/1181168064.db2.gz PQSNRGQEKNKEAM-IAGOWNOFSA-N 2 2 371.441 0.206 20 0 FCADLP COc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001024506845 1181261470 /nfs/dbraw/zinc/26/14/70/1181261470.db2.gz PLORQVVUWNWIDY-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)on1 ZINC001024506845 1181261479 /nfs/dbraw/zinc/26/14/79/1181261479.db2.gz PLORQVVUWNWIDY-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001024506845 1181261487 /nfs/dbraw/zinc/26/14/87/1181261487.db2.gz PLORQVVUWNWIDY-IIAWOOMASA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001024506845 1181261502 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/nfs/dbraw/zinc/92/74/62/1181927462.db2.gz NRPBPQVXMASQNI-ROUUACIJSA-N 2 2 362.474 0.565 20 0 FCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256412 1182105426 /nfs/dbraw/zinc/10/54/26/1182105426.db2.gz PTRWAEJAXODKSG-LPHOPBHVSA-N 2 2 359.474 0.991 20 0 FCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256412 1182105430 /nfs/dbraw/zinc/10/54/30/1182105430.db2.gz PTRWAEJAXODKSG-LPHOPBHVSA-N 2 2 359.474 0.991 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025305101 1182207637 /nfs/dbraw/zinc/20/76/37/1182207637.db2.gz CCMWILJDNPGJRH-HZPDHXFCSA-N 2 2 371.441 0.016 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC[N@@H+]1C ZINC000973330451 1182239554 /nfs/dbraw/zinc/23/95/54/1182239554.db2.gz MVCXUATUNLMNCG-YIDVYQOGSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC[N@H+]1C ZINC000973330451 1182239561 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20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)NC3CCOCC3)CC2)CC[NH+]1C ZINC000981194500 1186347250 /nfs/dbraw/zinc/34/72/50/1186347250.db2.gz SGTNIYAIXAMBNI-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC3CCOCC3)CC2)CC[NH+]1C ZINC000981194500 1186347257 /nfs/dbraw/zinc/34/72/57/1186347257.db2.gz SGTNIYAIXAMBNI-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000981412174 1186415712 /nfs/dbraw/zinc/41/57/12/1186415712.db2.gz JEVYEBKLMSGGNM-LXZKKBNFSA-N 2 2 359.474 0.695 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000981478087 1186425952 /nfs/dbraw/zinc/42/59/52/1186425952.db2.gz YRVIRPJLCVAIFP-ARFHVFGLSA-N 2 2 363.462 0.005 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000981478087 1186425953 /nfs/dbraw/zinc/42/59/53/1186425953.db2.gz YRVIRPJLCVAIFP-ARFHVFGLSA-N 2 2 363.462 0.005 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cnn(C)c2)C3)O1 ZINC000981842740 1186545093 /nfs/dbraw/zinc/54/50/93/1186545093.db2.gz JWNAPNJJBGAPCI-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2cnn(C)c2)C3)O1 ZINC000981842740 1186545096 /nfs/dbraw/zinc/54/50/96/1186545096.db2.gz JWNAPNJJBGAPCI-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)O1 ZINC000981842740 1186545103 /nfs/dbraw/zinc/54/51/03/1186545103.db2.gz JWNAPNJJBGAPCI-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)O1 ZINC000981842740 1186545106 /nfs/dbraw/zinc/54/51/06/1186545106.db2.gz JWNAPNJJBGAPCI-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000981992791 1186613566 /nfs/dbraw/zinc/61/35/66/1186613566.db2.gz IPELMLGAOPQCTR-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000981992791 1186613570 /nfs/dbraw/zinc/61/35/70/1186613570.db2.gz IPELMLGAOPQCTR-BZUAXINKSA-N 2 2 359.474 0.679 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982022484 1186629966 /nfs/dbraw/zinc/62/99/66/1186629966.db2.gz ZGQUQUOSQVNRJB-RBSFLKMASA-N 2 2 359.474 0.712 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000982022484 1186629969 /nfs/dbraw/zinc/62/99/69/1186629969.db2.gz ZGQUQUOSQVNRJB-RBSFLKMASA-N 2 2 359.474 0.712 20 0 FCADLP CN1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+](C)CC1 ZINC000893699481 1186665416 /nfs/dbraw/zinc/66/54/16/1186665416.db2.gz NAHDMLWDYDKDHP-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+](C)CC1 ZINC000893699481 1186665419 /nfs/dbraw/zinc/66/54/19/1186665419.db2.gz NAHDMLWDYDKDHP-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443655 1187520823 /nfs/dbraw/zinc/52/08/23/1187520823.db2.gz YEPHEUKBFTWKIK-KBAYOESNSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443655 1187520826 /nfs/dbraw/zinc/52/08/26/1187520826.db2.gz YEPHEUKBFTWKIK-KBAYOESNSA-N 2 2 358.486 0.930 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645009 1187583165 /nfs/dbraw/zinc/58/31/65/1187583165.db2.gz KYSSYEDVEQOQAO-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645009 1187583169 /nfs/dbraw/zinc/58/31/69/1187583169.db2.gz KYSSYEDVEQOQAO-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645009 1187583173 /nfs/dbraw/zinc/58/31/73/1187583173.db2.gz KYSSYEDVEQOQAO-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)ccn1 ZINC001075645009 1187583177 /nfs/dbraw/zinc/58/31/77/1187583177.db2.gz KYSSYEDVEQOQAO-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nnnn3C(C)C)C2)CC[N@@H+]1C ZINC001028551380 1187601953 /nfs/dbraw/zinc/60/19/53/1187601953.db2.gz NQYCBCFPLVVYBU-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nnnn3C(C)C)C2)CC[N@H+]1C ZINC001028551380 1187601958 /nfs/dbraw/zinc/60/19/58/1187601958.db2.gz NQYCBCFPLVVYBU-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C(C)C)C2)CC[NH+]1C ZINC001028551380 1187601963 /nfs/dbraw/zinc/60/19/63/1187601963.db2.gz NQYCBCFPLVVYBU-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C(C)C)C2)CC[NH+]1C ZINC001028551380 1187601964 /nfs/dbraw/zinc/60/19/64/1187601964.db2.gz NQYCBCFPLVVYBU-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP COCCc1noc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028550775 1187601978 /nfs/dbraw/zinc/60/19/78/1187601978.db2.gz TVVQXAOYRJDAMF-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028550775 1187601984 /nfs/dbraw/zinc/60/19/84/1187601984.db2.gz TVVQXAOYRJDAMF-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001028550775 1187601989 /nfs/dbraw/zinc/60/19/89/1187601989.db2.gz TVVQXAOYRJDAMF-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001028550775 1187601993 /nfs/dbraw/zinc/60/19/93/1187601993.db2.gz TVVQXAOYRJDAMF-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001028551030 1187602546 /nfs/dbraw/zinc/60/25/46/1187602546.db2.gz XUCCPRNGXSJZLW-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001028551030 1187602549 /nfs/dbraw/zinc/60/25/49/1187602549.db2.gz XUCCPRNGXSJZLW-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001028551030 1187602553 /nfs/dbraw/zinc/60/25/53/1187602553.db2.gz XUCCPRNGXSJZLW-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001028551030 1187602555 /nfs/dbraw/zinc/60/25/55/1187602555.db2.gz XUCCPRNGXSJZLW-RBSFLKMASA-N 2 2 363.462 0.700 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001028810746 1187907862 /nfs/dbraw/zinc/90/78/62/1187907862.db2.gz CDIMAHTUFXUHPW-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028810746 1187907864 /nfs/dbraw/zinc/90/78/64/1187907864.db2.gz CDIMAHTUFXUHPW-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001028811071 1187909871 /nfs/dbraw/zinc/90/98/71/1187909871.db2.gz HKFLPVJCCCXOGV-FVQBIDKESA-N 2 2 370.457 0.961 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001028811071 1187909874 /nfs/dbraw/zinc/90/98/74/1187909874.db2.gz HKFLPVJCCCXOGV-FVQBIDKESA-N 2 2 370.457 0.961 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001270155694 1188033981 /nfs/dbraw/zinc/03/39/81/1188033981.db2.gz QGHWOFRFFBQPGL-QFBILLFUSA-N 2 2 359.474 0.998 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075744335 1188060558 /nfs/dbraw/zinc/06/05/58/1188060558.db2.gz KRNYGOYDVXEDBI-SOUVJXGZSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075744335 1188060560 /nfs/dbraw/zinc/06/05/60/1188060560.db2.gz KRNYGOYDVXEDBI-SOUVJXGZSA-N 2 2 355.446 0.654 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C[C@@H]21 ZINC001270273638 1188074174 /nfs/dbraw/zinc/07/41/74/1188074174.db2.gz YZGLJYSCHXDCCJ-HOTGVXAUSA-N 2 2 358.446 0.232 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001270329757 1188097304 /nfs/dbraw/zinc/09/73/04/1188097304.db2.gz RGSXLOKOHJWTBO-KUHUBIRLSA-N 2 2 359.474 0.842 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O)[NH+]1CCCC1 ZINC001270488180 1188169435 /nfs/dbraw/zinc/16/94/35/1188169435.db2.gz AJEXQTXTZNADGN-QFBILLFUSA-N 2 2 359.474 0.961 20 0 FCADLP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000550136467 1188233180 /nfs/dbraw/zinc/23/31/80/1188233180.db2.gz FSECUTPZWKJHST-KRWDZBQOSA-N 2 2 369.469 0.952 20 0 FCADLP C[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000550136467 1188233182 /nfs/dbraw/zinc/23/31/82/1188233182.db2.gz FSECUTPZWKJHST-KRWDZBQOSA-N 2 2 369.469 0.952 20 0 FCADLP CCOC(=O)Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894581341 1188234752 /nfs/dbraw/zinc/23/47/52/1188234752.db2.gz OZEBQCIACUYNPY-IYBDPMFKSA-N 2 2 372.473 0.840 20 0 FCADLP CCOC(=O)Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894581341 1188234754 /nfs/dbraw/zinc/23/47/54/1188234754.db2.gz OZEBQCIACUYNPY-IYBDPMFKSA-N 2 2 372.473 0.840 20 0 FCADLP CCOC(=O)Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894581341 1188234759 /nfs/dbraw/zinc/23/47/59/1188234759.db2.gz OZEBQCIACUYNPY-IYBDPMFKSA-N 2 2 372.473 0.840 20 0 FCADLP CCOC(=O)Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(-c2cnn(C)c2)n1 ZINC000894581341 1188234761 /nfs/dbraw/zinc/23/47/61/1188234761.db2.gz OZEBQCIACUYNPY-IYBDPMFKSA-N 2 2 372.473 0.840 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075798578 1188422619 /nfs/dbraw/zinc/42/26/19/1188422619.db2.gz GVNUCBCHMRBSMZ-CGTJXYLNSA-N 2 2 358.490 0.673 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)nn1 ZINC001075798578 1188422620 /nfs/dbraw/zinc/42/26/20/1188422620.db2.gz GVNUCBCHMRBSMZ-CGTJXYLNSA-N 2 2 358.490 0.673 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000984123963 1189481593 /nfs/dbraw/zinc/48/15/93/1189481593.db2.gz UPGMQFCGGFZUMV-ZBFHGGJFSA-N 2 2 359.474 0.791 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087628895 1189671774 /nfs/dbraw/zinc/67/17/74/1189671774.db2.gz RDZRLJBWJKQIGC-XOKHGSTOSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087628895 1189671783 /nfs/dbraw/zinc/67/17/83/1189671783.db2.gz RDZRLJBWJKQIGC-XOKHGSTOSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@@H+]1Cc1ncccn1 ZINC001087665369 1189718923 /nfs/dbraw/zinc/71/89/23/1189718923.db2.gz LQLKPOSGCXNZTA-XKDHDKOLSA-N 2 2 371.485 0.809 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC[N@H+]1Cc1ncccn1 ZINC001087665369 1189718936 /nfs/dbraw/zinc/71/89/36/1189718936.db2.gz LQLKPOSGCXNZTA-XKDHDKOLSA-N 2 2 371.485 0.809 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC[NH+]1Cc1ncccn1 ZINC001087665369 1189718946 /nfs/dbraw/zinc/71/89/46/1189718946.db2.gz LQLKPOSGCXNZTA-XKDHDKOLSA-N 2 2 371.485 0.809 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1Cc1ccn(C)n1 ZINC001087700090 1189775181 /nfs/dbraw/zinc/77/51/81/1189775181.db2.gz AQQKAISPTHKNRP-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1Cc1ccn(C)n1 ZINC001087700090 1189775195 /nfs/dbraw/zinc/77/51/95/1189775195.db2.gz AQQKAISPTHKNRP-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1Cc1ccn(C)n1 ZINC001087700090 1189775209 /nfs/dbraw/zinc/77/52/09/1189775209.db2.gz AQQKAISPTHKNRP-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1Cc1ccn(C)n1 ZINC001087700090 1189775221 /nfs/dbraw/zinc/77/52/21/1189775221.db2.gz AQQKAISPTHKNRP-RCCFBDPRSA-N 2 2 363.506 0.998 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765662 1189838839 /nfs/dbraw/zinc/83/88/39/1189838839.db2.gz UBIXTTUSMDRUEG-PVAVHDDUSA-N 2 2 350.507 0.966 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765662 1189838840 /nfs/dbraw/zinc/83/88/40/1189838840.db2.gz UBIXTTUSMDRUEG-PVAVHDDUSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765662 1189838841 /nfs/dbraw/zinc/83/88/41/1189838841.db2.gz UBIXTTUSMDRUEG-PVAVHDDUSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765662 1189838842 /nfs/dbraw/zinc/83/88/42/1189838842.db2.gz UBIXTTUSMDRUEG-PVAVHDDUSA-N 2 2 350.507 0.966 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895463699 1189859177 /nfs/dbraw/zinc/85/91/77/1189859177.db2.gz ANESIKBLOAQPNC-RTBURBONSA-N 2 2 359.470 0.724 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895463699 1189859179 /nfs/dbraw/zinc/85/91/79/1189859179.db2.gz ANESIKBLOAQPNC-RTBURBONSA-N 2 2 359.470 0.724 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)on1 ZINC000895684151 1189875269 /nfs/dbraw/zinc/87/52/69/1189875269.db2.gz ADRXGPIXLNCOLN-HNNXBMFYSA-N 2 2 366.462 0.738 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000895849811 1189888225 /nfs/dbraw/zinc/88/82/25/1189888225.db2.gz ZSWFLJKMDNJIKS-QZTJIDSGSA-N 2 2 372.469 0.796 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000895849811 1189888228 /nfs/dbraw/zinc/88/82/28/1189888228.db2.gz ZSWFLJKMDNJIKS-QZTJIDSGSA-N 2 2 372.469 0.796 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1C ZINC001087908789 1189894274 /nfs/dbraw/zinc/89/42/74/1189894274.db2.gz NIEJWVQAJTWXSE-OWCLPIDISA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1C ZINC001087908789 1189894278 /nfs/dbraw/zinc/89/42/78/1189894278.db2.gz NIEJWVQAJTWXSE-OWCLPIDISA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1C ZINC001087908789 1189894282 /nfs/dbraw/zinc/89/42/82/1189894282.db2.gz NIEJWVQAJTWXSE-OWCLPIDISA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1C ZINC001087908789 1189894284 /nfs/dbraw/zinc/89/42/84/1189894284.db2.gz NIEJWVQAJTWXSE-OWCLPIDISA-N 2 2 360.506 0.752 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964300 1190010003 /nfs/dbraw/zinc/01/00/03/1190010003.db2.gz GAWRSLXPPZLXBV-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964300 1190010012 /nfs/dbraw/zinc/01/00/12/1190010012.db2.gz GAWRSLXPPZLXBV-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964300 1190010018 /nfs/dbraw/zinc/01/00/18/1190010018.db2.gz GAWRSLXPPZLXBV-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964300 1190010024 /nfs/dbraw/zinc/01/00/24/1190010024.db2.gz GAWRSLXPPZLXBV-IKGGRYGDSA-N 2 2 360.506 0.968 20 0 FCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000896233608 1190016742 /nfs/dbraw/zinc/01/67/42/1190016742.db2.gz YIGCEUKKQXSOBG-UHFFFAOYSA-N 2 2 356.430 0.460 20 0 FCADLP C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896567238 1190094905 /nfs/dbraw/zinc/09/49/05/1190094905.db2.gz FJNMGTUUTKQUJQ-YLJYHZDGSA-N 2 2 373.545 0.798 20 0 FCADLP C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896567238 1190094907 /nfs/dbraw/zinc/09/49/07/1190094907.db2.gz FJNMGTUUTKQUJQ-YLJYHZDGSA-N 2 2 373.545 0.798 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)NC1CC1 ZINC001087994226 1190147336 /nfs/dbraw/zinc/14/73/36/1190147336.db2.gz XJHOUHIAMGCHEN-VYDXJSESSA-N 2 2 371.485 0.819 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)NC1CC1 ZINC001087994226 1190147339 /nfs/dbraw/zinc/14/73/39/1190147339.db2.gz XJHOUHIAMGCHEN-VYDXJSESSA-N 2 2 371.485 0.819 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000984818448 1190158699 /nfs/dbraw/zinc/15/86/99/1190158699.db2.gz HIGYPMQIWSMECP-RFBLXINOSA-N 2 2 369.473 0.787 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)CC[C@@H]3C2)c[nH+]1 ZINC001088009661 1190204614 /nfs/dbraw/zinc/20/46/14/1190204614.db2.gz PDGBOHQDDPGNGK-CVEARBPZSA-N 2 2 361.490 0.795 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c[nH+]1 ZINC001088009661 1190204619 /nfs/dbraw/zinc/20/46/19/1190204619.db2.gz PDGBOHQDDPGNGK-CVEARBPZSA-N 2 2 361.490 0.795 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012025 1190211237 /nfs/dbraw/zinc/21/12/37/1190211237.db2.gz OWBMMPIKODIIKU-DQEVTTJGSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012025 1190211240 /nfs/dbraw/zinc/21/12/40/1190211240.db2.gz OWBMMPIKODIIKU-DQEVTTJGSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012025 1190211245 /nfs/dbraw/zinc/21/12/45/1190211245.db2.gz OWBMMPIKODIIKU-DQEVTTJGSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012025 1190211252 /nfs/dbraw/zinc/21/12/52/1190211252.db2.gz OWBMMPIKODIIKU-DQEVTTJGSA-N 2 2 373.501 0.784 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088013700 1190214706 /nfs/dbraw/zinc/21/47/06/1190214706.db2.gz PDTYZHHWMRIQLA-IFIJOSMWSA-N 2 2 353.426 0.845 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC[C@@H]2C1 ZINC001088013700 1190214714 /nfs/dbraw/zinc/21/47/14/1190214714.db2.gz PDTYZHHWMRIQLA-IFIJOSMWSA-N 2 2 353.426 0.845 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1)NC1CC1 ZINC001088017207 1190226171 /nfs/dbraw/zinc/22/61/71/1190226171.db2.gz QGMIGDANOZMCKP-OAGGEKHMSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1)NC1CC1 ZINC001088017207 1190226177 /nfs/dbraw/zinc/22/61/77/1190226177.db2.gz QGMIGDANOZMCKP-OAGGEKHMSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1)N1CCC1 ZINC001088018609 1190230329 /nfs/dbraw/zinc/23/03/29/1190230329.db2.gz DTJKUIOJLVMYRL-ZACQAIPSSA-N 2 2 371.485 0.458 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1)N1CCC1 ZINC001088018609 1190230344 /nfs/dbraw/zinc/23/03/44/1190230344.db2.gz DTJKUIOJLVMYRL-ZACQAIPSSA-N 2 2 371.485 0.458 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088019161 1190232248 /nfs/dbraw/zinc/23/22/48/1190232248.db2.gz ZIYHAFMQMQZGFH-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088019161 1190232263 /nfs/dbraw/zinc/23/22/63/1190232263.db2.gz ZIYHAFMQMQZGFH-OAGGEKHMSA-N 2 2 359.474 0.314 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)n1C ZINC001088042251 1190299927 /nfs/dbraw/zinc/29/99/27/1190299927.db2.gz FNSIKGJLPCRTLQ-CVEARBPZSA-N 2 2 371.489 0.863 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)n1C ZINC001088042251 1190299930 /nfs/dbraw/zinc/29/99/30/1190299930.db2.gz FNSIKGJLPCRTLQ-CVEARBPZSA-N 2 2 371.489 0.863 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088059012 1190328259 /nfs/dbraw/zinc/32/82/59/1190328259.db2.gz FCWYFRXSUPMUMO-IKGGRYGDSA-N 2 2 369.473 0.833 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088059012 1190328266 /nfs/dbraw/zinc/32/82/66/1190328266.db2.gz FCWYFRXSUPMUMO-IKGGRYGDSA-N 2 2 369.473 0.833 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088059329 1190329791 /nfs/dbraw/zinc/32/97/91/1190329791.db2.gz UVEZBVROQIACOK-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088059329 1190329796 /nfs/dbraw/zinc/32/97/96/1190329796.db2.gz UVEZBVROQIACOK-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)NC1CC1 ZINC001088102231 1190584656 /nfs/dbraw/zinc/58/46/56/1190584656.db2.gz VIHBSHDBEMEDNL-YCPHGPKFSA-N 2 2 371.485 0.889 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)NC1CC1 ZINC001088102231 1190584663 /nfs/dbraw/zinc/58/46/63/1190584663.db2.gz VIHBSHDBEMEDNL-YCPHGPKFSA-N 2 2 371.485 0.889 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088121700 1190615462 /nfs/dbraw/zinc/61/54/62/1190615462.db2.gz SEYZVVBNHGVBRB-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000897342555 1190714653 /nfs/dbraw/zinc/71/46/53/1190714653.db2.gz VEAMDKFIEINFPH-QGZVFWFLSA-N 2 2 355.442 0.951 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088351841 1190772401 /nfs/dbraw/zinc/77/24/01/1190772401.db2.gz MZEYUKRYLDWUHJ-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088351842 1190772513 /nfs/dbraw/zinc/77/25/13/1190772513.db2.gz MZEYUKRYLDWUHJ-KURKYZTESA-N 2 2 369.506 0.219 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000985830127 1190827922 /nfs/dbraw/zinc/82/79/22/1190827922.db2.gz AFJUFZRZOQTAPL-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000985830127 1190827925 /nfs/dbraw/zinc/82/79/25/1190827925.db2.gz AFJUFZRZOQTAPL-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@@H+]2C1CC[NH+](C)CC1 ZINC001276756382 1224111357 /nfs/dbraw/zinc/11/13/57/1224111357.db2.gz OOJZQQYWMJMNCR-LPHOPBHVSA-N 2 2 367.490 0.726 20 0 FCADLP COC[C@@H](C(=O)OC)N1C[C@@]2(CC1=O)CCCC[N@H+]2C1CC[NH+](C)CC1 ZINC001276756382 1224111358 /nfs/dbraw/zinc/11/13/58/1224111358.db2.gz OOJZQQYWMJMNCR-LPHOPBHVSA-N 2 2 367.490 0.726 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1)[NH+](C)C ZINC000986021402 1190866901 /nfs/dbraw/zinc/86/69/01/1190866901.db2.gz UMAFYAXEVBXVLV-PMPSAXMXSA-N 2 2 361.490 0.989 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276756964 1224113604 /nfs/dbraw/zinc/11/36/04/1224113604.db2.gz KHRQAPSGVHHMIH-HNAYVOBHSA-N 2 2 367.490 0.441 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276756964 1224113605 /nfs/dbraw/zinc/11/36/05/1224113605.db2.gz KHRQAPSGVHHMIH-HNAYVOBHSA-N 2 2 367.490 0.441 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000986132501 1190902518 /nfs/dbraw/zinc/90/25/18/1190902518.db2.gz AAPYYOURUFQIOC-CVEARBPZSA-N 2 2 370.457 0.773 20 0 FCADLP CCN(CC)C(=O)CN1C[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276757447 1224116220 /nfs/dbraw/zinc/11/62/20/1224116220.db2.gz RFVQPNNAPFBNRE-LJQANCHMSA-N 2 2 366.506 0.252 20 0 FCADLP CCN(CC)C(=O)CN1C[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276757447 1224116222 /nfs/dbraw/zinc/11/62/22/1224116222.db2.gz RFVQPNNAPFBNRE-LJQANCHMSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986193055 1190918639 /nfs/dbraw/zinc/91/86/39/1190918639.db2.gz FYNKZJYBAGPKCL-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]3C2)CC[N@H+]1C ZINC000986193055 1190918641 /nfs/dbraw/zinc/91/86/41/1190918641.db2.gz FYNKZJYBAGPKCL-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986193055 1190918643 /nfs/dbraw/zinc/91/86/43/1190918643.db2.gz FYNKZJYBAGPKCL-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@H+]1C ZINC000986193055 1190918644 /nfs/dbraw/zinc/91/86/44/1190918644.db2.gz FYNKZJYBAGPKCL-XLMAVXFVSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986196509 1190919274 /nfs/dbraw/zinc/91/92/74/1190919274.db2.gz SYLAPUCNEBFJDF-PNBKFKSVSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@H+]1C ZINC000986196509 1190919281 /nfs/dbraw/zinc/91/92/81/1190919281.db2.gz SYLAPUCNEBFJDF-PNBKFKSVSA-N 2 2 359.474 0.599 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1)C1CC1 ZINC000986259266 1190935925 /nfs/dbraw/zinc/93/59/25/1190935925.db2.gz PAJYFQKXGKKZLT-SOLBZPMBSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cn(C)nn3)CC2)O1 ZINC001029973785 1191057422 /nfs/dbraw/zinc/05/74/22/1191057422.db2.gz NZFPQYCFGWIRCK-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cn(C)nn3)CC2)O1 ZINC001029973785 1191057425 /nfs/dbraw/zinc/05/74/25/1191057425.db2.gz NZFPQYCFGWIRCK-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cn(C)nn3)CC2)O1 ZINC001029973785 1191057430 /nfs/dbraw/zinc/05/74/30/1191057430.db2.gz NZFPQYCFGWIRCK-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)C1 ZINC000986683070 1191086352 /nfs/dbraw/zinc/08/63/52/1191086352.db2.gz KSJBATSZCBKHIR-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)C1 ZINC000986683070 1191086356 /nfs/dbraw/zinc/08/63/56/1191086356.db2.gz KSJBATSZCBKHIR-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)CCn1cc[nH+]c1 ZINC000988191622 1191157961 /nfs/dbraw/zinc/15/79/61/1191157961.db2.gz VYAMGPCHNBXSOO-OIISXLGYSA-N 2 2 359.474 0.721 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)CC1 ZINC001276765347 1224132774 /nfs/dbraw/zinc/13/27/74/1224132774.db2.gz RSXPRXNTAIYEEV-SFHVURJKSA-N 2 2 372.460 0.730 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218187094 1224146952 /nfs/dbraw/zinc/14/69/52/1224146952.db2.gz DBIGNUWAXGEJPJ-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC001218187094 1224146954 /nfs/dbraw/zinc/14/69/54/1224146954.db2.gz DBIGNUWAXGEJPJ-IXDOHACOSA-N 2 2 362.474 0.784 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000550664611 1193728545 /nfs/dbraw/zinc/72/85/45/1193728545.db2.gz VJYCDXCFWHPKJZ-KRWDZBQOSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000550756402 1193761004 /nfs/dbraw/zinc/76/10/04/1193761004.db2.gz KTVHNRTTZHHAPB-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000550756402 1193761007 /nfs/dbraw/zinc/76/10/07/1193761007.db2.gz KTVHNRTTZHHAPB-IRXDYDNUSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001060001933 1193762642 /nfs/dbraw/zinc/76/26/42/1193762642.db2.gz JRTZQZYYFINXSL-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001060001933 1193762645 /nfs/dbraw/zinc/76/26/45/1193762645.db2.gz JRTZQZYYFINXSL-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000551036245 1193828798 /nfs/dbraw/zinc/82/87/98/1193828798.db2.gz UCDMWJVDCMKFLL-DOTOQJQBSA-N 2 2 357.458 0.677 20 0 FCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165820 1193838250 /nfs/dbraw/zinc/83/82/50/1193838250.db2.gz IINQEDGWFONTSU-JKSUJKDBSA-N 2 2 361.490 0.942 20 0 FCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000551165820 1193838252 /nfs/dbraw/zinc/83/82/52/1193838252.db2.gz IINQEDGWFONTSU-JKSUJKDBSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)CC2)c1 ZINC000551851322 1193873721 /nfs/dbraw/zinc/87/37/21/1193873721.db2.gz NUMUGOGSWTXAJT-UHFFFAOYSA-N 2 2 370.457 0.832 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582836 1224177827 /nfs/dbraw/zinc/17/78/27/1224177827.db2.gz VARQXGPGOQHEJJ-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582836 1224177831 /nfs/dbraw/zinc/17/78/31/1224177831.db2.gz VARQXGPGOQHEJJ-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(-c2ccccc2)nn1CCO ZINC001218595173 1224178690 /nfs/dbraw/zinc/17/86/90/1224178690.db2.gz HVOSRRLNPCDXPA-HNNXBMFYSA-N 2 2 354.414 0.784 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105672892 1194077519 /nfs/dbraw/zinc/07/75/19/1194077519.db2.gz DNAULVNTJPMWSP-ZAWLATJESA-N 2 2 364.490 0.886 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCCn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105674418 1194088573 /nfs/dbraw/zinc/08/85/73/1194088573.db2.gz WWQVWIFVSMRKAK-FPAYPSAMSA-N 2 2 364.490 0.622 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000899057579 1194099588 /nfs/dbraw/zinc/09/95/88/1194099588.db2.gz RWNRCZJYUDHKHT-GOSISDBHSA-N 2 2 374.485 0.859 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000899057579 1194099592 /nfs/dbraw/zinc/09/95/92/1194099592.db2.gz RWNRCZJYUDHKHT-GOSISDBHSA-N 2 2 374.485 0.859 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000899057579 1194099597 /nfs/dbraw/zinc/09/95/97/1194099597.db2.gz RWNRCZJYUDHKHT-GOSISDBHSA-N 2 2 374.485 0.859 20 0 FCADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000899057579 1194099601 /nfs/dbraw/zinc/09/96/01/1194099601.db2.gz RWNRCZJYUDHKHT-GOSISDBHSA-N 2 2 374.485 0.859 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521733 1194136638 /nfs/dbraw/zinc/13/66/38/1194136638.db2.gz FNMBGTIFBTUNJT-JQHSSLGASA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521733 1194136639 /nfs/dbraw/zinc/13/66/39/1194136639.db2.gz FNMBGTIFBTUNJT-JQHSSLGASA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521733 1194136640 /nfs/dbraw/zinc/13/66/40/1194136640.db2.gz FNMBGTIFBTUNJT-JQHSSLGASA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521733 1194136642 /nfs/dbraw/zinc/13/66/42/1194136642.db2.gz FNMBGTIFBTUNJT-JQHSSLGASA-N 2 2 364.490 0.931 20 0 FCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076078312 1194291883 /nfs/dbraw/zinc/29/18/83/1194291883.db2.gz WVYQVNIOMFHBST-MLHJIOFPSA-N 2 2 367.490 0.045 20 0 FCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076078312 1194291888 /nfs/dbraw/zinc/29/18/88/1194291888.db2.gz WVYQVNIOMFHBST-MLHJIOFPSA-N 2 2 367.490 0.045 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001076097719 1194306341 /nfs/dbraw/zinc/30/63/41/1194306341.db2.gz XFMWNMQBENEUQO-RYQLBKOJSA-N 2 2 365.437 0.907 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2nnc(C3CCOCC3)n2c1 ZINC001218745009 1224210718 /nfs/dbraw/zinc/21/07/18/1224210718.db2.gz PVDNXTHBPWPMMA-CQSZACIVSA-N 2 2 355.402 0.855 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406554 1194451714 /nfs/dbraw/zinc/45/17/14/1194451714.db2.gz QRLAGDDSAZVUAH-GRDNDAEWSA-N 2 2 368.441 0.548 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406554 1194451718 /nfs/dbraw/zinc/45/17/18/1194451718.db2.gz QRLAGDDSAZVUAH-GRDNDAEWSA-N 2 2 368.441 0.548 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462448 1194507609 /nfs/dbraw/zinc/50/76/09/1194507609.db2.gz VBGWYJHOMLCCSO-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462448 1194507617 /nfs/dbraw/zinc/50/76/17/1194507617.db2.gz VBGWYJHOMLCCSO-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462448 1194507623 /nfs/dbraw/zinc/50/76/23/1194507623.db2.gz VBGWYJHOMLCCSO-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462448 1194507632 /nfs/dbraw/zinc/50/76/32/1194507632.db2.gz VBGWYJHOMLCCSO-SOLBZPMBSA-N 2 2 360.506 0.981 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076462476 1194508532 /nfs/dbraw/zinc/50/85/32/1194508532.db2.gz WNZSURQUOLDBJU-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001076462476 1194508538 /nfs/dbraw/zinc/50/85/38/1194508538.db2.gz WNZSURQUOLDBJU-DOTOQJQBSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001076516794 1194531411 /nfs/dbraw/zinc/53/14/11/1194531411.db2.gz CUVMWYFOLKVAPJ-FUHWJXTLSA-N 2 2 356.474 0.862 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001076516794 1194531414 /nfs/dbraw/zinc/53/14/14/1194531414.db2.gz CUVMWYFOLKVAPJ-FUHWJXTLSA-N 2 2 356.474 0.862 20 0 FCADLP COC(C)(C)CN1C[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276795563 1224222741 /nfs/dbraw/zinc/22/27/41/1224222741.db2.gz MDZGWCDCOKKLRB-BEFAXECRSA-N 2 2 371.522 0.464 20 0 FCADLP COC(C)(C)CN1C[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276795563 1224222746 /nfs/dbraw/zinc/22/27/46/1224222746.db2.gz MDZGWCDCOKKLRB-BEFAXECRSA-N 2 2 371.522 0.464 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001076573245 1194569905 /nfs/dbraw/zinc/56/99/05/1194569905.db2.gz PFAAJLOMTUAFHY-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)n1 ZINC001076573245 1194569909 /nfs/dbraw/zinc/56/99/09/1194569909.db2.gz PFAAJLOMTUAFHY-GOEBONIOSA-N 2 2 356.430 0.723 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076569365 1194575565 /nfs/dbraw/zinc/57/55/65/1194575565.db2.gz UBSGFYJDYSDJAV-SQWLQELKSA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1=O ZINC001076569365 1194575569 /nfs/dbraw/zinc/57/55/69/1194575569.db2.gz UBSGFYJDYSDJAV-SQWLQELKSA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076569365 1194575574 /nfs/dbraw/zinc/57/55/74/1194575574.db2.gz UBSGFYJDYSDJAV-SQWLQELKSA-N 2 2 361.442 0.633 20 0 FCADLP COc1coc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1=O ZINC001076569365 1194575579 /nfs/dbraw/zinc/57/55/79/1194575579.db2.gz UBSGFYJDYSDJAV-SQWLQELKSA-N 2 2 361.442 0.633 20 0 FCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001076632622 1194606776 /nfs/dbraw/zinc/60/67/76/1194606776.db2.gz WZZWZAXHANUMDS-ZWKOTPCHSA-N 2 2 367.453 0.976 20 0 FCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001076632622 1194606779 /nfs/dbraw/zinc/60/67/79/1194606779.db2.gz WZZWZAXHANUMDS-ZWKOTPCHSA-N 2 2 367.453 0.976 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632568 1194607043 /nfs/dbraw/zinc/60/70/43/1194607043.db2.gz KSAXCJPZROTDBI-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632568 1194607045 /nfs/dbraw/zinc/60/70/45/1194607045.db2.gz KSAXCJPZROTDBI-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905709 1224253034 /nfs/dbraw/zinc/25/30/34/1224253034.db2.gz WWNACCMRTAHBCW-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905709 1224253036 /nfs/dbraw/zinc/25/30/36/1224253036.db2.gz WWNACCMRTAHBCW-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905709 1224253043 /nfs/dbraw/zinc/25/30/43/1224253043.db2.gz WWNACCMRTAHBCW-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905709 1224253050 /nfs/dbraw/zinc/25/30/50/1224253050.db2.gz WWNACCMRTAHBCW-YESZJQIVSA-N 2 2 368.522 0.545 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1=O ZINC001076999526 1195127376 /nfs/dbraw/zinc/12/73/76/1195127376.db2.gz VMGFFNDYIXPCOR-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1=O ZINC001076999526 1195127381 /nfs/dbraw/zinc/12/73/81/1195127381.db2.gz VMGFFNDYIXPCOR-BZUAXINKSA-N 2 2 366.506 0.033 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077023556 1195159970 /nfs/dbraw/zinc/15/99/70/1195159970.db2.gz GPSPFWVQPAWCNZ-BNEJOLLZSA-N 2 2 374.485 0.048 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC001077023556 1195159979 /nfs/dbraw/zinc/15/99/79/1195159979.db2.gz GPSPFWVQPAWCNZ-BNEJOLLZSA-N 2 2 374.485 0.048 20 0 FCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001077023556 1195159987 /nfs/dbraw/zinc/15/99/87/1195159987.db2.gz GPSPFWVQPAWCNZ-BNEJOLLZSA-N 2 2 374.485 0.048 20 0 FCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001077023556 1195159996 /nfs/dbraw/zinc/15/99/96/1195159996.db2.gz GPSPFWVQPAWCNZ-BNEJOLLZSA-N 2 2 374.485 0.048 20 0 FCADLP COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218932987 1224264232 /nfs/dbraw/zinc/26/42/32/1224264232.db2.gz VEYXRWKJALAFSC-ZDUSSCGKSA-N 2 2 360.370 0.502 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2O)c[nH+]1 ZINC001083563572 1195222424 /nfs/dbraw/zinc/22/24/24/1195222424.db2.gz WBVUGIBKTUJXKY-CVEARBPZSA-N 2 2 360.462 0.064 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2O)c[nH+]1 ZINC001083563572 1195222426 /nfs/dbraw/zinc/22/24/26/1195222426.db2.gz WBVUGIBKTUJXKY-CVEARBPZSA-N 2 2 360.462 0.064 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H](O)C2)C1 ZINC001083563672 1195223824 /nfs/dbraw/zinc/22/38/24/1195223824.db2.gz ZXOBYASUKDTWPK-BACDZXNISA-N 2 2 364.490 0.903 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H](O)C2)C1 ZINC001083563672 1195223831 /nfs/dbraw/zinc/22/38/31/1195223831.db2.gz ZXOBYASUKDTWPK-BACDZXNISA-N 2 2 364.490 0.903 20 0 FCADLP C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218943750 1224268731 /nfs/dbraw/zinc/26/87/31/1224268731.db2.gz ACEMGDODJGDCGB-BLLLJJGKSA-N 2 2 372.473 0.236 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220280 1195329609 /nfs/dbraw/zinc/32/96/09/1195329609.db2.gz ILGVXCZJEUXUMO-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220280 1195329616 /nfs/dbraw/zinc/32/96/16/1195329616.db2.gz ILGVXCZJEUXUMO-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220280 1195329621 /nfs/dbraw/zinc/32/96/21/1195329621.db2.gz ILGVXCZJEUXUMO-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220280 1195329626 /nfs/dbraw/zinc/32/96/26/1195329626.db2.gz ILGVXCZJEUXUMO-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001077222575 1195331951 /nfs/dbraw/zinc/33/19/51/1195331951.db2.gz RSUIWWSSUXIIRF-YTCRMAKCSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001077222575 1195331956 /nfs/dbraw/zinc/33/19/56/1195331956.db2.gz RSUIWWSSUXIIRF-YTCRMAKCSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001077222575 1195331961 /nfs/dbraw/zinc/33/19/61/1195331961.db2.gz RSUIWWSSUXIIRF-YTCRMAKCSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]2O)O1 ZINC001077222575 1195331965 /nfs/dbraw/zinc/33/19/65/1195331965.db2.gz RSUIWWSSUXIIRF-YTCRMAKCSA-N 2 2 359.470 0.580 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237893 1195339644 /nfs/dbraw/zinc/33/96/44/1195339644.db2.gz UEKXMPCIQBXKJH-BHIYHBOVSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237893 1195339649 /nfs/dbraw/zinc/33/96/49/1195339649.db2.gz UEKXMPCIQBXKJH-BHIYHBOVSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077237893 1195339655 /nfs/dbraw/zinc/33/96/55/1195339655.db2.gz UEKXMPCIQBXKJH-BHIYHBOVSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)ccn1 ZINC001077237920 1195340611 /nfs/dbraw/zinc/34/06/11/1195340611.db2.gz VDOMSSRYQMKVDG-IXDOHACOSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)ccn1 ZINC001077237920 1195340615 /nfs/dbraw/zinc/34/06/15/1195340615.db2.gz VDOMSSRYQMKVDG-IXDOHACOSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001077237920 1195340620 /nfs/dbraw/zinc/34/06/20/1195340620.db2.gz VDOMSSRYQMKVDG-IXDOHACOSA-N 2 2 361.490 0.293 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251893 1195357420 /nfs/dbraw/zinc/35/74/20/1195357420.db2.gz UINPORQTDCSDCN-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251893 1195357425 /nfs/dbraw/zinc/35/74/25/1195357425.db2.gz UINPORQTDCSDCN-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260364 1195365356 /nfs/dbraw/zinc/36/53/56/1195365356.db2.gz DDMRZORJRWWEED-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260364 1195365359 /nfs/dbraw/zinc/36/53/59/1195365359.db2.gz DDMRZORJRWWEED-CGTJXYLNSA-N 2 2 362.474 0.424 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)no1 ZINC001077275094 1195375589 /nfs/dbraw/zinc/37/55/89/1195375589.db2.gz RMOBBFNNGXDILC-IAOVAPTHSA-N 2 2 366.462 0.328 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]2O)no1 ZINC001077275094 1195375593 /nfs/dbraw/zinc/37/55/93/1195375593.db2.gz RMOBBFNNGXDILC-IAOVAPTHSA-N 2 2 366.462 0.328 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580089 1195528258 /nfs/dbraw/zinc/52/82/58/1195528258.db2.gz PNWYIROTRXIPDO-QRQLOZEOSA-N 2 2 354.454 0.850 20 0 FCADLP c1nc(Cn2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nn2)no1 ZINC000906262659 1195622054 /nfs/dbraw/zinc/62/20/54/1195622054.db2.gz UVJMJJPZJHZQFL-UHFFFAOYSA-N 2 2 361.450 0.644 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785105 1195664441 /nfs/dbraw/zinc/66/44/41/1195664441.db2.gz DVBSIIVRXWGARN-FXAWDEMLSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785105 1195664445 /nfs/dbraw/zinc/66/44/45/1195664445.db2.gz DVBSIIVRXWGARN-FXAWDEMLSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000906785105 1195664450 /nfs/dbraw/zinc/66/44/50/1195664450.db2.gz DVBSIIVRXWGARN-FXAWDEMLSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000906785105 1195664453 /nfs/dbraw/zinc/66/44/53/1195664453.db2.gz DVBSIIVRXWGARN-FXAWDEMLSA-N 2 2 374.529 0.886 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455403 1195696846 /nfs/dbraw/zinc/69/68/46/1195696846.db2.gz IEXCTXGALJKYJW-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455403 1195696854 /nfs/dbraw/zinc/69/68/54/1195696854.db2.gz IEXCTXGALJKYJW-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455403 1195696861 /nfs/dbraw/zinc/69/68/61/1195696861.db2.gz IEXCTXGALJKYJW-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455403 1195696863 /nfs/dbraw/zinc/69/68/63/1195696863.db2.gz IEXCTXGALJKYJW-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000910401647 1195813346 /nfs/dbraw/zinc/81/33/46/1195813346.db2.gz AVUJRXIWBUCQGP-UHFFFAOYSA-N 2 2 370.538 0.208 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001083645025 1195952994 /nfs/dbraw/zinc/95/29/94/1195952994.db2.gz HAGIGHXYYHHBKK-SJORKVTESA-N 2 2 360.462 0.639 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001083645025 1195952995 /nfs/dbraw/zinc/95/29/95/1195952995.db2.gz HAGIGHXYYHHBKK-SJORKVTESA-N 2 2 360.462 0.639 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@@H]([C@@H]4CCCOC4)C3=O)CC2)CC1 ZINC000349394897 1196491649 /nfs/dbraw/zinc/49/16/49/1196491649.db2.gz WQFIKZCZKPACTB-PBHICJAKSA-N 2 2 364.490 0.892 20 0 FCADLP CCO[C@H]1C[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592082995 1196538730 /nfs/dbraw/zinc/53/87/30/1196538730.db2.gz YNVLCQYSMTVJLL-SJORKVTESA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203948 1196547502 /nfs/dbraw/zinc/54/75/02/1196547502.db2.gz HZMCODZTASGEOF-IXDOHACOSA-N 2 2 363.458 0.261 20 0 FCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000592203948 1196547504 /nfs/dbraw/zinc/54/75/04/1196547504.db2.gz HZMCODZTASGEOF-IXDOHACOSA-N 2 2 363.458 0.261 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC2)cc[nH+]1 ZINC000592562040 1196569106 /nfs/dbraw/zinc/56/91/06/1196569106.db2.gz LHPFGSUZYKVUFN-AWEZNQCLSA-N 2 2 355.446 0.780 20 0 FCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592564486 1196569485 /nfs/dbraw/zinc/56/94/85/1196569485.db2.gz MEJSLSGNDHTIEY-CVEARBPZSA-N 2 2 361.490 0.902 20 0 FCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592564486 1196569488 /nfs/dbraw/zinc/56/94/88/1196569488.db2.gz MEJSLSGNDHTIEY-CVEARBPZSA-N 2 2 361.490 0.902 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000592885332 1196586883 /nfs/dbraw/zinc/58/68/83/1196586883.db2.gz QAVSEVYSBZJGNB-NVXWUHKLSA-N 2 2 366.506 0.014 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000594104842 1196688517 /nfs/dbraw/zinc/68/85/17/1196688517.db2.gz MOMYWYWOIVHAPJ-MRXNPFEDSA-N 2 2 374.489 0.689 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000594104842 1196688520 /nfs/dbraw/zinc/68/85/20/1196688520.db2.gz MOMYWYWOIVHAPJ-MRXNPFEDSA-N 2 2 374.489 0.689 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219132837 1224363884 /nfs/dbraw/zinc/36/38/84/1224363884.db2.gz OGPRBJACLNKXLC-LBPRGKRZSA-N 2 2 363.397 0.226 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N3CCC3)[C@@H]1C)C2 ZINC001088857255 1196803893 /nfs/dbraw/zinc/80/38/93/1196803893.db2.gz IBCTXWNLDHXPEF-UNEWFSDZSA-N 2 2 359.474 0.565 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N3CCC3)[C@@H]1C)C2 ZINC001088857255 1196803896 /nfs/dbraw/zinc/80/38/96/1196803896.db2.gz IBCTXWNLDHXPEF-UNEWFSDZSA-N 2 2 359.474 0.565 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C)cn1 ZINC001088912809 1196834151 /nfs/dbraw/zinc/83/41/51/1196834151.db2.gz SASJYVDOZAILLA-QAPCUYQASA-N 2 2 371.489 0.936 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C)cn1 ZINC001088912809 1196834153 /nfs/dbraw/zinc/83/41/53/1196834153.db2.gz SASJYVDOZAILLA-QAPCUYQASA-N 2 2 371.489 0.936 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053174 1196876863 /nfs/dbraw/zinc/87/68/63/1196876863.db2.gz MMOQTUMXUAPQDC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053174 1196876866 /nfs/dbraw/zinc/87/68/66/1196876866.db2.gz MMOQTUMXUAPQDC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053174 1196876869 /nfs/dbraw/zinc/87/68/69/1196876869.db2.gz MMOQTUMXUAPQDC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nc3)[C@@H]2C)C1 ZINC001089053174 1196876870 /nfs/dbraw/zinc/87/68/70/1196876870.db2.gz MMOQTUMXUAPQDC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC000992243131 1197030674 /nfs/dbraw/zinc/03/06/74/1197030674.db2.gz UWHONIKQEBYZMH-YVTWGWGSSA-N 2 2 371.485 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992243131 1197030678 /nfs/dbraw/zinc/03/06/78/1197030678.db2.gz UWHONIKQEBYZMH-YVTWGWGSSA-N 2 2 371.485 0.915 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3C[NH+](C4CCOCC4)C3)c2)CC1 ZINC000913665344 1197101351 /nfs/dbraw/zinc/10/13/51/1197101351.db2.gz VJQPWCLQYPCTFL-UHFFFAOYSA-N 3 2 359.474 0.883 20 0 FCADLP CN(C)CC[N@@H+]1CCCC2(CCN(C(=O)[C@H](CO)n3cc[nH+]c3)CC2)C1 ZINC001272467131 1197103207 /nfs/dbraw/zinc/10/32/07/1197103207.db2.gz LFZSLYAKDVBEHZ-KRWDZBQOSA-N 2 2 363.506 0.683 20 0 FCADLP CN(C)CC[N@H+]1CCCC2(CCN(C(=O)[C@H](CO)n3cc[nH+]c3)CC2)C1 ZINC001272467131 1197103211 /nfs/dbraw/zinc/10/32/11/1197103211.db2.gz LFZSLYAKDVBEHZ-KRWDZBQOSA-N 2 2 363.506 0.683 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000913735743 1197119732 /nfs/dbraw/zinc/11/97/32/1197119732.db2.gz CQFJQTTWDFYHEO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000913735743 1197119738 /nfs/dbraw/zinc/11/97/38/1197119738.db2.gz CQFJQTTWDFYHEO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000913735743 1197119741 /nfs/dbraw/zinc/11/97/41/1197119741.db2.gz CQFJQTTWDFYHEO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000913735743 1197119745 /nfs/dbraw/zinc/11/97/45/1197119745.db2.gz CQFJQTTWDFYHEO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP COC(=O)c1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(NC(C)=O)cc1OC ZINC001219225800 1224394092 /nfs/dbraw/zinc/39/40/92/1224394092.db2.gz MGXKDIDKICSRCH-UHFFFAOYSA-N 2 2 364.402 0.460 20 0 FCADLP C[C@@H](NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000174719953 1197178562 /nfs/dbraw/zinc/17/85/62/1197178562.db2.gz DTNBBEOUOHGPCM-QGZVFWFLSA-N 2 2 367.538 0.073 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC000174719953 1197178572 /nfs/dbraw/zinc/17/85/72/1197178572.db2.gz DTNBBEOUOHGPCM-QGZVFWFLSA-N 2 2 367.538 0.073 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085225482 1197702235 /nfs/dbraw/zinc/70/22/35/1197702235.db2.gz YLZUQCJTMGDUHR-MGPQQGTHSA-N 2 2 358.450 0.501 20 0 FCADLP C[N@H+](CC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1)C1CCC1 ZINC000993041005 1197723801 /nfs/dbraw/zinc/72/38/01/1197723801.db2.gz QOVLZWAWLQTGTE-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1)C1CCC1 ZINC000993041005 1197723811 /nfs/dbraw/zinc/72/38/11/1197723811.db2.gz QOVLZWAWLQTGTE-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001085241607 1197729385 /nfs/dbraw/zinc/72/93/85/1197729385.db2.gz FTTGYBPQDPRPHI-HUUCEWRRSA-N 2 2 361.494 0.603 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085250547 1197749521 /nfs/dbraw/zinc/74/95/21/1197749521.db2.gz YODUIVZGZBFKKB-FVQBIDKESA-N 2 2 357.462 0.791 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001085252800 1197751405 /nfs/dbraw/zinc/75/14/05/1197751405.db2.gz HZWYSMXYTKYTJQ-HUUCEWRRSA-N 2 2 361.450 0.696 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723532 1197753093 /nfs/dbraw/zinc/75/30/93/1197753093.db2.gz OHEGNSBDJYMKSS-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723532 1197753114 /nfs/dbraw/zinc/75/31/14/1197753114.db2.gz OHEGNSBDJYMKSS-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723532 1197753136 /nfs/dbraw/zinc/75/31/36/1197753136.db2.gz OHEGNSBDJYMKSS-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723532 1197753152 /nfs/dbraw/zinc/75/31/52/1197753152.db2.gz OHEGNSBDJYMKSS-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085255095 1197759307 /nfs/dbraw/zinc/75/93/07/1197759307.db2.gz NITSRKJPDLJRPZ-OAGGEKHMSA-N 2 2 363.510 0.848 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085255095 1197759317 /nfs/dbraw/zinc/75/93/17/1197759317.db2.gz NITSRKJPDLJRPZ-OAGGEKHMSA-N 2 2 363.510 0.848 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)n1 ZINC001085284958 1197794462 /nfs/dbraw/zinc/79/44/62/1197794462.db2.gz UVYUQWPCXTXSEZ-INMHGKMJSA-N 2 2 361.494 0.602 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201258 1197841332 /nfs/dbraw/zinc/84/13/32/1197841332.db2.gz XWLPXUQMTICHDL-HUUCEWRRSA-N 2 2 359.430 0.057 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201258 1197841336 /nfs/dbraw/zinc/84/13/36/1197841336.db2.gz XWLPXUQMTICHDL-HUUCEWRRSA-N 2 2 359.430 0.057 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993133969 1197854362 /nfs/dbraw/zinc/85/43/62/1197854362.db2.gz IATWUHMXSHUZOR-QAPCUYQASA-N 2 2 356.430 0.395 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)[C@H](C)C1 ZINC001106308845 1197861330 /nfs/dbraw/zinc/86/13/30/1197861330.db2.gz DRAIFEGUSJVNDD-IIAWOOMASA-N 2 2 362.474 0.794 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001085394570 1197862991 /nfs/dbraw/zinc/86/29/91/1197862991.db2.gz SAUXAAVQNZKHRW-DJIMGWMZSA-N 2 2 361.490 0.896 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342942 1197872267 /nfs/dbraw/zinc/87/22/67/1197872267.db2.gz JTSZTVVGPCPJJJ-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2C)n1 ZINC001085424529 1197889286 /nfs/dbraw/zinc/88/92/86/1197889286.db2.gz UJQSXSRTUDKLRV-ZIAGYGMSSA-N 2 2 362.434 0.938 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000993155202 1197895165 /nfs/dbraw/zinc/89/51/65/1197895165.db2.gz IRAKVVHWOXYMER-BEFAXECRSA-N 2 2 371.485 0.365 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC000993158242 1197902682 /nfs/dbraw/zinc/90/26/82/1197902682.db2.gz TZSJBRRQTDVDHU-HNAYVOBHSA-N 2 2 370.457 0.475 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)C(=O)NC1CC1 ZINC001106464047 1197945290 /nfs/dbraw/zinc/94/52/90/1197945290.db2.gz BQIMMMQBAZVJRI-RBSFLKMASA-N 2 2 361.490 0.704 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601686 1197952047 /nfs/dbraw/zinc/95/20/47/1197952047.db2.gz DNKCCNYFHBPHNZ-JZXOWHBKSA-N 2 2 366.506 0.012 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001085601686 1197952052 /nfs/dbraw/zinc/95/20/52/1197952052.db2.gz DNKCCNYFHBPHNZ-JZXOWHBKSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305022 1197974066 /nfs/dbraw/zinc/97/40/66/1197974066.db2.gz WULNYGOCXWILMU-BZUAXINKSA-N 2 2 367.538 0.957 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305022 1197974070 /nfs/dbraw/zinc/97/40/70/1197974070.db2.gz WULNYGOCXWILMU-BZUAXINKSA-N 2 2 367.538 0.957 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCN1CCCC1=O ZINC001106499404 1197977220 /nfs/dbraw/zinc/97/72/20/1197977220.db2.gz INAFKCAOPPMELW-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP COCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498559 1197978056 /nfs/dbraw/zinc/97/80/56/1197978056.db2.gz CXMHFIBCHYCEOR-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993194115 1197998720 /nfs/dbraw/zinc/99/87/20/1197998720.db2.gz ATRKDVNYQDIYTP-BJZITVGISA-N 2 2 361.490 0.845 20 0 FCADLP C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000738882345 1198004846 /nfs/dbraw/zinc/00/48/46/1198004846.db2.gz QLKSBZTTWUNSLK-KRWDZBQOSA-N 2 2 370.538 0.928 20 0 FCADLP C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000738882345 1198004857 /nfs/dbraw/zinc/00/48/57/1198004857.db2.gz QLKSBZTTWUNSLK-KRWDZBQOSA-N 2 2 370.538 0.928 20 0 FCADLP O=C(NC[C@@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086111857 1198174476 /nfs/dbraw/zinc/17/44/76/1198174476.db2.gz FZQBKPXJBJILGT-IBEHDNSVSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(NC[C@@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086111857 1198174493 /nfs/dbraw/zinc/17/44/93/1198174493.db2.gz FZQBKPXJBJILGT-IBEHDNSVSA-N 2 2 359.474 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086201196 1198248757 /nfs/dbraw/zinc/24/87/57/1198248757.db2.gz NDDZJNOQQMYMCA-LXTVHRRPSA-N 2 2 360.462 0.033 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cn1 ZINC000743943092 1198292667 /nfs/dbraw/zinc/29/26/67/1198292667.db2.gz VKILYSQTQIEICH-MRXNPFEDSA-N 2 2 366.425 0.987 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn1 ZINC000743943091 1198293397 /nfs/dbraw/zinc/29/33/97/1198293397.db2.gz VKILYSQTQIEICH-INIZCTEOSA-N 2 2 366.425 0.987 20 0 FCADLP O=C(Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219453742 1224476335 /nfs/dbraw/zinc/47/63/35/1224476335.db2.gz NTCGYPOPNKTHKE-MJBXVCDLSA-N 2 2 366.368 0.975 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400591 1198356234 /nfs/dbraw/zinc/35/62/34/1198356234.db2.gz OEEHFTYDHVGNMX-KLHDSHLOSA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400591 1198356244 /nfs/dbraw/zinc/35/62/44/1198356244.db2.gz OEEHFTYDHVGNMX-KLHDSHLOSA-N 2 2 364.494 0.563 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001219552682 1224506782 /nfs/dbraw/zinc/50/67/82/1224506782.db2.gz HGUFXTPGCNNEGE-SJORKVTESA-N 2 2 370.453 0.681 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC001219552682 1224506789 /nfs/dbraw/zinc/50/67/89/1224506789.db2.gz HGUFXTPGCNNEGE-SJORKVTESA-N 2 2 370.453 0.681 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001219553055 1224507608 /nfs/dbraw/zinc/50/76/08/1224507608.db2.gz QYVBPQGUFKNFMN-CVEARBPZSA-N 2 2 362.405 0.722 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001219553055 1224507612 /nfs/dbraw/zinc/50/76/12/1224507612.db2.gz QYVBPQGUFKNFMN-CVEARBPZSA-N 2 2 362.405 0.722 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086482595 1198955797 /nfs/dbraw/zinc/95/57/97/1198955797.db2.gz NDDZJNOQQMYMCA-KBUPBQIOSA-N 2 2 360.462 0.033 20 0 FCADLP CCn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nn1 ZINC001086482843 1198956330 /nfs/dbraw/zinc/95/63/30/1198956330.db2.gz ZJBXTENUBJJLAF-RRCSTGOVSA-N 2 2 357.462 0.820 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086482134 1198956622 /nfs/dbraw/zinc/95/66/22/1198956622.db2.gz PDRVUVXAOILICO-KLHDSHLOSA-N 2 2 359.474 0.630 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1nnn2Cc1ccccc1 ZINC001169067284 1199045005 /nfs/dbraw/zinc/04/50/05/1199045005.db2.gz OXVZHCZYBBGIKV-CYBMUJFWSA-N 2 2 350.386 0.317 20 0 FCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H](C)C[NH+](C)C ZINC001169161277 1199050040 /nfs/dbraw/zinc/05/00/40/1199050040.db2.gz AVVYAOWUYNINTI-ZIAGYGMSSA-N 2 2 364.494 0.532 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001219659038 1224547053 /nfs/dbraw/zinc/54/70/53/1224547053.db2.gz WGQZEYGMZWVALK-XHSDSOJGSA-N 2 2 360.462 0.455 20 0 FCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001219659038 1224547059 /nfs/dbraw/zinc/54/70/59/1224547059.db2.gz WGQZEYGMZWVALK-XHSDSOJGSA-N 2 2 360.462 0.455 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449454 1200288633 /nfs/dbraw/zinc/28/86/33/1200288633.db2.gz WDJRSPQSTXIHTB-QZWWFDLISA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449454 1200288638 /nfs/dbraw/zinc/28/86/38/1200288638.db2.gz WDJRSPQSTXIHTB-QZWWFDLISA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109449454 1200288644 /nfs/dbraw/zinc/28/86/44/1200288644.db2.gz WDJRSPQSTXIHTB-QZWWFDLISA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449454 1200288650 /nfs/dbraw/zinc/28/86/50/1200288650.db2.gz WDJRSPQSTXIHTB-QZWWFDLISA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581337 1200401594 /nfs/dbraw/zinc/40/15/94/1200401594.db2.gz UUTSSNHWKFAROV-PMPSAXMXSA-N 2 2 362.478 0.702 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581337 1200401597 /nfs/dbraw/zinc/40/15/97/1200401597.db2.gz UUTSSNHWKFAROV-PMPSAXMXSA-N 2 2 362.478 0.702 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581444 1200401835 /nfs/dbraw/zinc/40/18/35/1200401835.db2.gz ZPFNKYPETADEJI-QZWWFDLISA-N 2 2 366.462 0.019 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581444 1200401838 /nfs/dbraw/zinc/40/18/38/1200401838.db2.gz ZPFNKYPETADEJI-QZWWFDLISA-N 2 2 366.462 0.019 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639690 1200429524 /nfs/dbraw/zinc/42/95/24/1200429524.db2.gz ZCIMUYQLXBUENR-LTIDMASMSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639690 1200429526 /nfs/dbraw/zinc/42/95/26/1200429526.db2.gz ZCIMUYQLXBUENR-LTIDMASMSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639690 1200429528 /nfs/dbraw/zinc/42/95/28/1200429528.db2.gz ZCIMUYQLXBUENR-LTIDMASMSA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639690 1200429532 /nfs/dbraw/zinc/42/95/32/1200429532.db2.gz ZCIMUYQLXBUENR-LTIDMASMSA-N 2 2 366.506 0.295 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724203 1200483170 /nfs/dbraw/zinc/48/31/70/1200483170.db2.gz HETJFBABGWJJSZ-RDBSUJKOSA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724203 1200483172 /nfs/dbraw/zinc/48/31/72/1200483172.db2.gz HETJFBABGWJJSZ-RDBSUJKOSA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724203 1200483175 /nfs/dbraw/zinc/48/31/75/1200483175.db2.gz HETJFBABGWJJSZ-RDBSUJKOSA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724203 1200483180 /nfs/dbraw/zinc/48/31/80/1200483180.db2.gz HETJFBABGWJJSZ-RDBSUJKOSA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797898 1224617413 /nfs/dbraw/zinc/61/74/13/1224617413.db2.gz AHMDKJXTMAPPQI-OAGGEKHMSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219797898 1224617414 /nfs/dbraw/zinc/61/74/14/1224617414.db2.gz AHMDKJXTMAPPQI-OAGGEKHMSA-N 2 2 368.522 0.183 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843644 1200558061 /nfs/dbraw/zinc/55/80/61/1200558061.db2.gz VXJCQJIRCAWQIU-QZWWFDLISA-N 2 2 366.506 0.474 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843644 1200558066 /nfs/dbraw/zinc/55/80/66/1200558066.db2.gz VXJCQJIRCAWQIU-QZWWFDLISA-N 2 2 366.506 0.474 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@H]1CC1(F)F ZINC001109847893 1200559200 /nfs/dbraw/zinc/55/92/00/1200559200.db2.gz MRAUFKCHJOPNKY-UGUYLWEFSA-N 2 2 373.444 0.854 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@H]1CC1(F)F ZINC001109847893 1200559205 /nfs/dbraw/zinc/55/92/05/1200559205.db2.gz MRAUFKCHJOPNKY-UGUYLWEFSA-N 2 2 373.444 0.854 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849500 1200561192 /nfs/dbraw/zinc/56/11/92/1200561192.db2.gz VBMDCTYPHABFTM-ORQFMDKSSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849500 1200561201 /nfs/dbraw/zinc/56/12/01/1200561201.db2.gz VBMDCTYPHABFTM-ORQFMDKSSA-N 2 2 364.490 0.097 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849280 1200562069 /nfs/dbraw/zinc/56/20/69/1200562069.db2.gz LGNYPGALHLIRSY-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109849280 1200562073 /nfs/dbraw/zinc/56/20/73/1200562073.db2.gz LGNYPGALHLIRSY-YVSFHVDLSA-N 2 2 366.506 0.345 20 0 FCADLP CCOC(=O)N1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771384794 1200574046 /nfs/dbraw/zinc/57/40/46/1200574046.db2.gz YSQWFBDUIRYJMF-OAHLLOKOSA-N 2 2 369.510 0.885 20 0 FCADLP CCOC(=O)N1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000771384794 1200574054 /nfs/dbraw/zinc/57/40/54/1200574054.db2.gz YSQWFBDUIRYJMF-OAHLLOKOSA-N 2 2 369.510 0.885 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001219800863 1224621103 /nfs/dbraw/zinc/62/11/03/1224621103.db2.gz WVCUORASFRHQKR-KURKYZTESA-N 2 2 363.506 0.555 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O ZINC001219800863 1224621107 /nfs/dbraw/zinc/62/11/07/1224621107.db2.gz WVCUORASFRHQKR-KURKYZTESA-N 2 2 363.506 0.555 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803837 1224622441 /nfs/dbraw/zinc/62/24/41/1224622441.db2.gz GORDIXGXXDQWIP-VKJFTORMSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803837 1224622452 /nfs/dbraw/zinc/62/24/52/1224622452.db2.gz GORDIXGXXDQWIP-VKJFTORMSA-N 2 2 364.490 0.937 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001109997077 1200685355 /nfs/dbraw/zinc/68/53/55/1200685355.db2.gz DFYPAVAZXQBZFT-DFBGVHRSSA-N 2 2 361.494 0.893 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)[nH+]1 ZINC001109997077 1200685359 /nfs/dbraw/zinc/68/53/59/1200685359.db2.gz DFYPAVAZXQBZFT-DFBGVHRSSA-N 2 2 361.494 0.893 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001110052410 1200737644 /nfs/dbraw/zinc/73/76/44/1200737644.db2.gz PUSJKHBQXMMHMG-PVAVHDDUSA-N 2 2 359.474 0.697 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001110052410 1200737650 /nfs/dbraw/zinc/73/76/50/1200737650.db2.gz PUSJKHBQXMMHMG-PVAVHDDUSA-N 2 2 359.474 0.697 20 0 FCADLP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053597 1200738832 /nfs/dbraw/zinc/73/88/32/1200738832.db2.gz NNHZSOVRODWLPJ-IWCQGFGOSA-N 2 2 359.474 0.695 20 0 FCADLP CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053597 1200738835 /nfs/dbraw/zinc/73/88/35/1200738835.db2.gz NNHZSOVRODWLPJ-IWCQGFGOSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2)C(=O)NC1CC1 ZINC001112552114 1200779966 /nfs/dbraw/zinc/77/99/66/1200779966.db2.gz GWLIEKODURXMLK-NJSLBKSFSA-N 2 2 359.474 0.838 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2)C(=O)NC1CC1 ZINC001112552115 1200780288 /nfs/dbraw/zinc/78/02/88/1200780288.db2.gz GWLIEKODURXMLK-TYILLQQXSA-N 2 2 359.474 0.838 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660953 1200785398 /nfs/dbraw/zinc/78/53/98/1200785398.db2.gz LKYHCZPHMUMXGF-SJORKVTESA-N 2 2 367.490 0.585 20 0 FCADLP C[N@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660953 1200785406 /nfs/dbraw/zinc/78/54/06/1200785406.db2.gz LKYHCZPHMUMXGF-SJORKVTESA-N 2 2 367.490 0.585 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816079 1224633597 /nfs/dbraw/zinc/63/35/97/1224633597.db2.gz XVAGCHZOAQMXPU-OIISXLGYSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816079 1224633602 /nfs/dbraw/zinc/63/36/02/1224633602.db2.gz XVAGCHZOAQMXPU-OIISXLGYSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816079 1224633606 /nfs/dbraw/zinc/63/36/06/1224633606.db2.gz XVAGCHZOAQMXPU-OIISXLGYSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816079 1224633611 /nfs/dbraw/zinc/63/36/11/1224633611.db2.gz XVAGCHZOAQMXPU-OIISXLGYSA-N 2 2 368.522 0.183 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)N1CCCC1 ZINC001112590674 1200830238 /nfs/dbraw/zinc/83/02/38/1200830238.db2.gz JWLMVHMSSOYTTC-LPHOPBHVSA-N 2 2 359.474 0.724 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000788801721 1200974756 /nfs/dbraw/zinc/97/47/56/1200974756.db2.gz BSCRUAUSVZUXQH-AWEZNQCLSA-N 2 2 360.458 0.924 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000788801721 1200974767 /nfs/dbraw/zinc/97/47/67/1200974767.db2.gz BSCRUAUSVZUXQH-AWEZNQCLSA-N 2 2 360.458 0.924 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000789021633 1200986936 /nfs/dbraw/zinc/98/69/36/1200986936.db2.gz MPXZSMDTGCBQNQ-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)nn1 ZINC001086579158 1201023023 /nfs/dbraw/zinc/02/30/23/1201023023.db2.gz PAVZIYDBTLHZCT-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)nn1 ZINC001086579158 1201023029 /nfs/dbraw/zinc/02/30/29/1201023029.db2.gz PAVZIYDBTLHZCT-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001086579158 1201023037 /nfs/dbraw/zinc/02/30/37/1201023037.db2.gz PAVZIYDBTLHZCT-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001086579158 1201023045 /nfs/dbraw/zinc/02/30/45/1201023045.db2.gz PAVZIYDBTLHZCT-IPMKNSEASA-N 2 2 368.485 0.994 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001086579159 1201023692 /nfs/dbraw/zinc/02/36/92/1201023692.db2.gz PAVZIYDBTLHZCT-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001086579159 1201023701 /nfs/dbraw/zinc/02/37/01/1201023701.db2.gz PAVZIYDBTLHZCT-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001086579159 1201023712 /nfs/dbraw/zinc/02/37/12/1201023712.db2.gz PAVZIYDBTLHZCT-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001086579159 1201023723 /nfs/dbraw/zinc/02/37/23/1201023723.db2.gz PAVZIYDBTLHZCT-OTWHNJEPSA-N 2 2 368.485 0.994 20 0 FCADLP O=C1CCCN1[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361055 1201068297 /nfs/dbraw/zinc/06/82/97/1201068297.db2.gz BCQYNXFLPGMCIN-QFBILLFUSA-N 2 2 362.474 0.947 20 0 FCADLP O=C1CCCN1[C@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361055 1201068305 /nfs/dbraw/zinc/06/83/05/1201068305.db2.gz BCQYNXFLPGMCIN-QFBILLFUSA-N 2 2 362.474 0.947 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001219847850 1224652585 /nfs/dbraw/zinc/65/25/85/1224652585.db2.gz ATHHIKCWEMEREW-RYRKJORJSA-N 2 2 367.465 0.952 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001219847850 1224652592 /nfs/dbraw/zinc/65/25/92/1224652592.db2.gz ATHHIKCWEMEREW-RYRKJORJSA-N 2 2 367.465 0.952 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129460748 1201327722 /nfs/dbraw/zinc/32/77/22/1201327722.db2.gz NUGYMKMLRUXNSB-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129460748 1201327731 /nfs/dbraw/zinc/32/77/31/1201327731.db2.gz NUGYMKMLRUXNSB-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129460748 1201327739 /nfs/dbraw/zinc/32/77/39/1201327739.db2.gz NUGYMKMLRUXNSB-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129460748 1201327743 /nfs/dbraw/zinc/32/77/43/1201327743.db2.gz NUGYMKMLRUXNSB-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n3ccnn3)C2)on1 ZINC001129460738 1201328069 /nfs/dbraw/zinc/32/80/69/1201328069.db2.gz NIKINVBDXDLLEQ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n3ccnn3)C2)on1 ZINC001129460738 1201328074 /nfs/dbraw/zinc/32/80/74/1201328074.db2.gz NIKINVBDXDLLEQ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n3ccnn3)C2)on1 ZINC001129460738 1201328079 /nfs/dbraw/zinc/32/80/79/1201328079.db2.gz NIKINVBDXDLLEQ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n3ccnn3)C2)on1 ZINC001129460738 1201328087 /nfs/dbraw/zinc/32/80/87/1201328087.db2.gz NIKINVBDXDLLEQ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086624291 1201360745 /nfs/dbraw/zinc/36/07/45/1201360745.db2.gz XGIRKLSRDVCBHE-RBUKOAKNSA-N 2 2 368.485 0.995 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086624291 1201360747 /nfs/dbraw/zinc/36/07/47/1201360747.db2.gz XGIRKLSRDVCBHE-RBUKOAKNSA-N 2 2 368.485 0.995 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896769 1224672450 /nfs/dbraw/zinc/67/24/50/1224672450.db2.gz ISHLEDGTISEZHE-IKGGRYGDSA-N 2 2 367.465 0.751 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896769 1224672453 /nfs/dbraw/zinc/67/24/53/1224672453.db2.gz ISHLEDGTISEZHE-IKGGRYGDSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896769 1224672455 /nfs/dbraw/zinc/67/24/55/1224672455.db2.gz ISHLEDGTISEZHE-IKGGRYGDSA-N 2 2 367.465 0.751 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@@H]1O ZINC001219896769 1224672458 /nfs/dbraw/zinc/67/24/58/1224672458.db2.gz ISHLEDGTISEZHE-IKGGRYGDSA-N 2 2 367.465 0.751 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129917252 1201427605 /nfs/dbraw/zinc/42/76/05/1201427605.db2.gz OVFXPMIZXMAWQE-KFWWJZLASA-N 2 2 361.425 0.438 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001129900186 1201432827 /nfs/dbraw/zinc/43/28/27/1201432827.db2.gz AFMYWIWKQGBDGG-DJIMGWMZSA-N 2 2 358.442 0.967 20 0 FCADLP Cc1cccc(OC[C@H](O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001129900186 1201432833 /nfs/dbraw/zinc/43/28/33/1201432833.db2.gz AFMYWIWKQGBDGG-DJIMGWMZSA-N 2 2 358.442 0.967 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952104 1201448402 /nfs/dbraw/zinc/44/84/02/1201448402.db2.gz HVOFJBNJZPZNLG-XHSDSOJGSA-N 2 2 361.450 0.067 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130011860 1201471398 /nfs/dbraw/zinc/47/13/98/1201471398.db2.gz AQVOYUHFEZXKAK-ANQUJSFKSA-N 2 2 357.462 0.957 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1)OC ZINC001130086210 1201494097 /nfs/dbraw/zinc/49/40/97/1201494097.db2.gz PSOPEJXTRLJBHJ-XHSDSOJGSA-N 2 2 361.450 0.021 20 0 FCADLP CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130109548 1201503155 /nfs/dbraw/zinc/50/31/55/1201503155.db2.gz ALFKEJXRHJDMNU-IMJJTQAJSA-N 2 2 363.441 0.734 20 0 FCADLP CC(C)COCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151209 1201517326 /nfs/dbraw/zinc/51/73/26/1201517326.db2.gz JGCZCGZYWJCZOX-CVEARBPZSA-N 2 2 361.450 0.189 20 0 FCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc2ccccc12 ZINC001130182380 1201526048 /nfs/dbraw/zinc/52/60/48/1201526048.db2.gz FJHPLQYCZXWWBQ-CXAGYDPISA-N 2 2 357.458 0.863 20 0 FCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc2ccccc12 ZINC001130182380 1201526056 /nfs/dbraw/zinc/52/60/56/1201526056.db2.gz FJHPLQYCZXWWBQ-CXAGYDPISA-N 2 2 357.458 0.863 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)[NH+](C)C ZINC001130215924 1201547261 /nfs/dbraw/zinc/54/72/61/1201547261.db2.gz IDVOCCMQEFVEFP-YDHLFZDLSA-N 2 2 370.473 0.439 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922800 1224682593 /nfs/dbraw/zinc/68/25/93/1224682593.db2.gz HQPUICDNPQWQFC-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922800 1224682597 /nfs/dbraw/zinc/68/25/97/1224682597.db2.gz HQPUICDNPQWQFC-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922800 1224682599 /nfs/dbraw/zinc/68/25/99/1224682599.db2.gz HQPUICDNPQWQFC-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H](O)C2)C1=O ZINC001219922800 1224682603 /nfs/dbraw/zinc/68/26/03/1224682603.db2.gz HQPUICDNPQWQFC-OAGGEKHMSA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCC(C)CC2)n1 ZINC001130245225 1201565199 /nfs/dbraw/zinc/56/51/99/1201565199.db2.gz WCYAPMFSDOMOHI-GJZGRUSLSA-N 2 2 364.494 0.635 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCC(C)CC2)[nH]1 ZINC001130245225 1201565205 /nfs/dbraw/zinc/56/52/05/1201565205.db2.gz WCYAPMFSDOMOHI-GJZGRUSLSA-N 2 2 364.494 0.635 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522690 1202749417 /nfs/dbraw/zinc/74/94/17/1202749417.db2.gz LTLROLQJOCYAGZ-ZBFHGGJFSA-N 2 2 361.490 0.819 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000806522690 1202749422 /nfs/dbraw/zinc/74/94/22/1202749422.db2.gz LTLROLQJOCYAGZ-ZBFHGGJFSA-N 2 2 361.490 0.819 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698363 1202757982 /nfs/dbraw/zinc/75/79/82/1202757982.db2.gz IHPLFQBKNUYEEE-GOEBONIOSA-N 2 2 360.462 0.695 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072232 1224745087 /nfs/dbraw/zinc/74/50/87/1224745087.db2.gz LUFHGVALMTUOQP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072232 1224745091 /nfs/dbraw/zinc/74/50/91/1224745091.db2.gz LUFHGVALMTUOQP-OAGGEKHMSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCc3[nH]cc[nH+]3)n2)O1 ZINC001130781130 1202793110 /nfs/dbraw/zinc/79/31/10/1202793110.db2.gz POPKEEBOJYVAFR-QWHCGFSZSA-N 2 2 361.450 0.995 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)[C@@H](O)C2)cn1 ZINC001220074134 1224746034 /nfs/dbraw/zinc/74/60/34/1224746034.db2.gz XYGHPLNCLFWRTK-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)[C@@H](O)C2)cn1 ZINC001220074134 1224746039 /nfs/dbraw/zinc/74/60/39/1224746039.db2.gz XYGHPLNCLFWRTK-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)[C@@H](O)C2)cn1 ZINC001220074134 1224746045 /nfs/dbraw/zinc/74/60/45/1224746045.db2.gz XYGHPLNCLFWRTK-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)[C@@H](O)C2)cn1 ZINC001220074134 1224746047 /nfs/dbraw/zinc/74/60/47/1224746047.db2.gz XYGHPLNCLFWRTK-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130809353 1202802335 /nfs/dbraw/zinc/80/23/35/1202802335.db2.gz TVBQXCBDDYIKFN-MELADBBJSA-N 2 2 368.457 0.684 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130809353 1202802337 /nfs/dbraw/zinc/80/23/37/1202802337.db2.gz TVBQXCBDDYIKFN-MELADBBJSA-N 2 2 368.457 0.684 20 0 FCADLP CC[NH+](CC)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130812010 1202804955 /nfs/dbraw/zinc/80/49/55/1202804955.db2.gz WPUZBWPSEURXRZ-UONOGXRCSA-N 2 2 370.473 0.932 20 0 FCADLP CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3)n2)O1 ZINC001130820035 1202809172 /nfs/dbraw/zinc/80/91/72/1202809172.db2.gz LDKLUFAJFNOSLI-UONOGXRCSA-N 2 2 361.450 0.927 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001130972797 1202832580 /nfs/dbraw/zinc/83/25/80/1202832580.db2.gz AQDWOGDVFLZGEM-HUUCEWRRSA-N 2 2 360.462 0.697 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078744 1224749061 /nfs/dbraw/zinc/74/90/61/1224749061.db2.gz ZYIXMHDHKDEEQS-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078744 1224749063 /nfs/dbraw/zinc/74/90/63/1224749063.db2.gz ZYIXMHDHKDEEQS-CVEARBPZSA-N 2 2 368.522 0.281 20 0 FCADLP Cc1nnc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2c[nH+]cn2C)o1 ZINC001131062022 1202854202 /nfs/dbraw/zinc/85/42/02/1202854202.db2.gz RZGIREMQIBOPOP-ZIAGYGMSSA-N 2 2 361.450 0.147 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)o1 ZINC001131062022 1202854203 /nfs/dbraw/zinc/85/42/03/1202854203.db2.gz RZGIREMQIBOPOP-ZIAGYGMSSA-N 2 2 361.450 0.147 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C)OC ZINC001131079693 1202860125 /nfs/dbraw/zinc/86/01/25/1202860125.db2.gz PBZUYBFSRYWETA-BZUAXINKSA-N 2 2 360.462 0.695 20 0 FCADLP Cn1cnc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000808388459 1202880978 /nfs/dbraw/zinc/88/09/78/1202880978.db2.gz HTZGTDKERYWUPF-OAHLLOKOSA-N 2 2 357.462 0.805 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131577756 1202916463 /nfs/dbraw/zinc/91/64/63/1202916463.db2.gz FZSIBAQLXVZEDX-OLMNPRSZSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131577756 1202916467 /nfs/dbraw/zinc/91/64/67/1202916467.db2.gz FZSIBAQLXVZEDX-OLMNPRSZSA-N 2 2 364.490 0.956 20 0 FCADLP Cc1cncc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001131610694 1202921045 /nfs/dbraw/zinc/92/10/45/1202921045.db2.gz DFWNDFSYXFGGPX-MSOLQXFVSA-N 2 2 362.474 0.476 20 0 FCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)o1 ZINC001131613481 1202921830 /nfs/dbraw/zinc/92/18/30/1202921830.db2.gz CGXOSBMMXKWLHI-CVEARBPZSA-N 2 2 366.462 0.377 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3c[nH+]cn3C)cc2)CC1 ZINC000810432435 1202947371 /nfs/dbraw/zinc/94/73/71/1202947371.db2.gz YKNLLEGPGLSROW-UHFFFAOYSA-N 2 2 370.457 0.817 20 0 FCADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccco1 ZINC001134042895 1203010827 /nfs/dbraw/zinc/01/08/27/1203010827.db2.gz MZHPHFPQZHGKLL-BFHYXJOUSA-N 2 2 359.430 0.700 20 0 FCADLP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045586 1203010944 /nfs/dbraw/zinc/01/09/44/1203010944.db2.gz MQOFWAJYHJKBSY-HUUCEWRRSA-N 2 2 365.478 0.161 20 0 FCADLP COc1cccc([C@@H](O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001134045534 1203010983 /nfs/dbraw/zinc/01/09/83/1203010983.db2.gz KNFLOWVKCGWHEE-NUJGCVRESA-N 2 2 358.442 0.972 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736169 1203062016 /nfs/dbraw/zinc/06/20/16/1203062016.db2.gz FLEBEMCLPJTVJS-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737729 1203062459 /nfs/dbraw/zinc/06/24/59/1203062459.db2.gz VGDDOOKNHLOXRJ-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C)[NH+](C)C ZINC001090750296 1203285229 /nfs/dbraw/zinc/28/52/29/1203285229.db2.gz GJVUTNBVBARTFX-BPLDGKMQSA-N 2 2 359.478 0.890 20 0 FCADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)ncn1 ZINC001110107857 1203289272 /nfs/dbraw/zinc/28/92/72/1203289272.db2.gz XNLSVWWGJWXNDZ-VLQPXKRTSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C3)ncn1 ZINC001110107857 1203289274 /nfs/dbraw/zinc/28/92/74/1203289274.db2.gz XNLSVWWGJWXNDZ-VLQPXKRTSA-N 2 2 373.501 0.975 20 0 FCADLP CCn1nc(C)c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000824713775 1203302367 /nfs/dbraw/zinc/30/23/67/1203302367.db2.gz VVQQBLYHPQOXSH-MRXNPFEDSA-N 2 2 363.510 0.916 20 0 FCADLP CCn1nc(C)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000824713775 1203302368 /nfs/dbraw/zinc/30/23/68/1203302368.db2.gz VVQQBLYHPQOXSH-MRXNPFEDSA-N 2 2 363.510 0.916 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220224626 1224808119 /nfs/dbraw/zinc/80/81/19/1224808119.db2.gz VKQQGEONRJHHGR-SJORKVTESA-N 2 2 365.474 0.933 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220224626 1224808122 /nfs/dbraw/zinc/80/81/22/1224808122.db2.gz VKQQGEONRJHHGR-SJORKVTESA-N 2 2 365.474 0.933 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220237776 1224812347 /nfs/dbraw/zinc/81/23/47/1224812347.db2.gz DWPQGBSNVNZGOT-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220237776 1224812349 /nfs/dbraw/zinc/81/23/49/1224812349.db2.gz DWPQGBSNVNZGOT-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374593 1204496852 /nfs/dbraw/zinc/49/68/52/1204496852.db2.gz ARKULJJHGCKLDD-HUUCEWRRSA-N 2 2 372.510 0.668 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000845374593 1204496854 /nfs/dbraw/zinc/49/68/54/1204496854.db2.gz ARKULJJHGCKLDD-HUUCEWRRSA-N 2 2 372.510 0.668 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091133701 1204540632 /nfs/dbraw/zinc/54/06/32/1204540632.db2.gz SSPSXQIXYRDYSW-VYDXJSESSA-N 2 2 361.490 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCc2ccnn2C)C1 ZINC001091239683 1204630968 /nfs/dbraw/zinc/63/09/68/1204630968.db2.gz DNDFNTKDCWELTP-GMGZGELVSA-N 2 2 356.474 0.984 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905265 1204674100 /nfs/dbraw/zinc/67/41/00/1204674100.db2.gz ZRYAQNWTKCOULY-DLBZAZTESA-N 2 2 370.538 0.926 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905265 1204674103 /nfs/dbraw/zinc/67/41/03/1204674103.db2.gz ZRYAQNWTKCOULY-DLBZAZTESA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905265 1204674105 /nfs/dbraw/zinc/67/41/05/1204674105.db2.gz ZRYAQNWTKCOULY-DLBZAZTESA-N 2 2 370.538 0.926 20 0 FCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000846905265 1204674109 /nfs/dbraw/zinc/67/41/09/1204674109.db2.gz ZRYAQNWTKCOULY-DLBZAZTESA-N 2 2 370.538 0.926 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543963 1204708087 /nfs/dbraw/zinc/70/80/87/1204708087.db2.gz SBFNBMASKRCXOL-MDZRGWNJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543963 1204708091 /nfs/dbraw/zinc/70/80/91/1204708091.db2.gz SBFNBMASKRCXOL-MDZRGWNJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543963 1204708094 /nfs/dbraw/zinc/70/80/94/1204708094.db2.gz SBFNBMASKRCXOL-MDZRGWNJSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543963 1204708100 /nfs/dbraw/zinc/70/81/00/1204708100.db2.gz SBFNBMASKRCXOL-MDZRGWNJSA-N 2 2 360.506 0.981 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678026 1204818016 /nfs/dbraw/zinc/81/80/16/1204818016.db2.gz XGZSEKBUWSAFFG-GJYPPUQNSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091678026 1204818017 /nfs/dbraw/zinc/81/80/17/1204818017.db2.gz XGZSEKBUWSAFFG-GJYPPUQNSA-N 2 2 358.490 0.437 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387375 1224853278 /nfs/dbraw/zinc/85/32/78/1224853278.db2.gz IXLVPFJROMWANL-XKQJLSEDSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387375 1224853283 /nfs/dbraw/zinc/85/32/83/1224853283.db2.gz IXLVPFJROMWANL-XKQJLSEDSA-N 2 2 366.462 0.145 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716190 1204831234 /nfs/dbraw/zinc/83/12/34/1204831234.db2.gz MZHGAVWTOHVMFD-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716190 1204831236 /nfs/dbraw/zinc/83/12/36/1204831236.db2.gz MZHGAVWTOHVMFD-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716190 1204831238 /nfs/dbraw/zinc/83/12/38/1204831238.db2.gz MZHGAVWTOHVMFD-VKJFTORMSA-N 2 2 361.494 0.365 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735866 1204836753 /nfs/dbraw/zinc/83/67/53/1204836753.db2.gz ZCVIQXCNGNSQOP-CPUCHLNUSA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735866 1204836754 /nfs/dbraw/zinc/83/67/54/1204836754.db2.gz ZCVIQXCNGNSQOP-CPUCHLNUSA-N 2 2 361.494 0.536 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC)C1 ZINC001086989886 1204882706 /nfs/dbraw/zinc/88/27/06/1204882706.db2.gz YOPRWOYKRQMINC-RCCFBDPRSA-N 2 2 363.506 0.825 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC)C1 ZINC001086989886 1204882708 /nfs/dbraw/zinc/88/27/08/1204882708.db2.gz YOPRWOYKRQMINC-RCCFBDPRSA-N 2 2 363.506 0.825 20 0 FCADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086999334 1204888721 /nfs/dbraw/zinc/88/87/21/1204888721.db2.gz BFOYXGKAXICWGG-DLBZAZTESA-N 2 2 369.429 0.767 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001087003854 1204891700 /nfs/dbraw/zinc/89/17/00/1204891700.db2.gz SXGCXCVIKWFKHH-JKSUJKDBSA-N 2 2 368.445 0.167 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cnn(C)c1 ZINC001087007884 1204896033 /nfs/dbraw/zinc/89/60/33/1204896033.db2.gz AMXSDRDYUIKHGH-XOKHGSTOSA-N 2 2 360.462 0.051 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087049500 1204925183 /nfs/dbraw/zinc/92/51/83/1204925183.db2.gz KPDOCPFGIVCPGN-GDBMZVCRSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087049582 1204926500 /nfs/dbraw/zinc/92/65/00/1204926500.db2.gz OGXBFZDBXPOBSR-GDBMZVCRSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001087071087 1204960181 /nfs/dbraw/zinc/96/01/81/1204960181.db2.gz ZHGBGCPVYLHLDW-HZPDHXFCSA-N 2 2 360.462 0.660 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001087088337 1204976280 /nfs/dbraw/zinc/97/62/80/1204976280.db2.gz UMKPNOKMSAAKDC-NJZAAPMLSA-N 2 2 362.434 0.858 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001087087964 1204976943 /nfs/dbraw/zinc/97/69/43/1204976943.db2.gz CUWVXEHABBWVSM-CZUORRHYSA-N 2 2 361.450 0.217 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1ncccn1 ZINC001087101277 1204999496 /nfs/dbraw/zinc/99/94/96/1204999496.db2.gz BVZNCHANRJYTAW-HZPDHXFCSA-N 2 2 358.446 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)c1nncn1C ZINC001087103622 1205000417 /nfs/dbraw/zinc/00/04/17/1205000417.db2.gz QPBYLHMSXOLSGZ-RRFJBIMHSA-N 2 2 361.450 0.226 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nccn1CC ZINC001087103409 1205000752 /nfs/dbraw/zinc/00/07/52/1205000752.db2.gz DWHFWLUIYXWIPH-HZPDHXFCSA-N 2 2 360.462 0.753 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001087103743 1205001749 /nfs/dbraw/zinc/00/17/49/1205001749.db2.gz XZWHIIFHJJQQCT-IAGOWNOFSA-N 2 2 358.446 0.635 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091795277 1205015368 /nfs/dbraw/zinc/01/53/68/1205015368.db2.gz QLFRSSUJTAOGNI-MDOVXXIYSA-N 2 2 371.485 0.504 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091795277 1205015373 /nfs/dbraw/zinc/01/53/73/1205015373.db2.gz QLFRSSUJTAOGNI-MDOVXXIYSA-N 2 2 371.485 0.504 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091797006 1205016138 /nfs/dbraw/zinc/01/61/38/1205016138.db2.gz DFSRZQVPNLUKIG-CLCXKQKWSA-N 2 2 369.473 0.555 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091797006 1205016143 /nfs/dbraw/zinc/01/61/43/1205016143.db2.gz DFSRZQVPNLUKIG-CLCXKQKWSA-N 2 2 369.473 0.555 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001091910299 1205069174 /nfs/dbraw/zinc/06/91/74/1205069174.db2.gz QSIWXKYECIZZGH-BEFAXECRSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001091910299 1205069177 /nfs/dbraw/zinc/06/91/77/1205069177.db2.gz QSIWXKYECIZZGH-BEFAXECRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001091898901 1205077239 /nfs/dbraw/zinc/07/72/39/1205077239.db2.gz XXCPESFEKOHUKR-QAPCUYQASA-N 2 2 360.462 0.079 20 0 FCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC001091898901 1205077244 /nfs/dbraw/zinc/07/72/44/1205077244.db2.gz XXCPESFEKOHUKR-QAPCUYQASA-N 2 2 360.462 0.079 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022368 1205120681 /nfs/dbraw/zinc/12/06/81/1205120681.db2.gz UIPXWLHUMXYVBK-GLJUWKHASA-N 2 2 363.462 0.734 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@]2(C)C1)[NH+](C)C ZINC001092022368 1205120685 /nfs/dbraw/zinc/12/06/85/1205120685.db2.gz UIPXWLHUMXYVBK-GLJUWKHASA-N 2 2 363.462 0.734 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071320 1205134850 /nfs/dbraw/zinc/13/48/50/1205134850.db2.gz QKLUBCKCRWTWLR-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071320 1205134851 /nfs/dbraw/zinc/13/48/51/1205134851.db2.gz QKLUBCKCRWTWLR-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)C1 ZINC001220440872 1224872156 /nfs/dbraw/zinc/87/21/56/1224872156.db2.gz LEZJYFIGFKRPAA-NJAFHUGGSA-N 2 2 358.486 0.852 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)C1 ZINC001220440873 1224872474 /nfs/dbraw/zinc/87/24/74/1224872474.db2.gz LEZJYFIGFKRPAA-SZMVWBNQSA-N 2 2 358.486 0.852 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092200097 1205195446 /nfs/dbraw/zinc/19/54/46/1205195446.db2.gz DNBPXMDILXUMGT-LPMFXHHGSA-N 2 2 359.474 0.746 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092200097 1205195448 /nfs/dbraw/zinc/19/54/48/1205195448.db2.gz DNBPXMDILXUMGT-LPMFXHHGSA-N 2 2 359.474 0.746 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273829 1205220930 /nfs/dbraw/zinc/22/09/30/1205220930.db2.gz SYKPWAGSHFOUEE-DAYGRLMNSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273829 1205220933 /nfs/dbraw/zinc/22/09/33/1205220933.db2.gz SYKPWAGSHFOUEE-DAYGRLMNSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273829 1205220936 /nfs/dbraw/zinc/22/09/36/1205220936.db2.gz SYKPWAGSHFOUEE-DAYGRLMNSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273829 1205220938 /nfs/dbraw/zinc/22/09/38/1205220938.db2.gz SYKPWAGSHFOUEE-DAYGRLMNSA-N 2 2 361.494 0.486 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273867 1205221419 /nfs/dbraw/zinc/22/14/19/1205221419.db2.gz UTCXSVKZXKTGCD-DAYGRLMNSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273867 1205221423 /nfs/dbraw/zinc/22/14/23/1205221423.db2.gz UTCXSVKZXKTGCD-DAYGRLMNSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273867 1205221427 /nfs/dbraw/zinc/22/14/27/1205221427.db2.gz UTCXSVKZXKTGCD-DAYGRLMNSA-N 2 2 361.494 0.315 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273867 1205221438 /nfs/dbraw/zinc/22/14/38/1205221438.db2.gz UTCXSVKZXKTGCD-DAYGRLMNSA-N 2 2 361.494 0.315 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092318473 1205246468 /nfs/dbraw/zinc/24/64/68/1205246468.db2.gz AKPVSXWXMTURHW-SYNHAJSKSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092318473 1205246474 /nfs/dbraw/zinc/24/64/74/1205246474.db2.gz AKPVSXWXMTURHW-SYNHAJSKSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001092519962 1205301875 /nfs/dbraw/zinc/30/18/75/1205301875.db2.gz OOVHQUPRMFITJX-RBSFLKMASA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001092519962 1205301878 /nfs/dbraw/zinc/30/18/78/1205301878.db2.gz OOVHQUPRMFITJX-RBSFLKMASA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978217 1205965569 /nfs/dbraw/zinc/96/55/69/1205965569.db2.gz FPEIKQCDCPICKE-QBPKDAKJSA-N 2 2 373.501 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978217 1205965573 /nfs/dbraw/zinc/96/55/73/1205965573.db2.gz FPEIKQCDCPICKE-QBPKDAKJSA-N 2 2 373.501 0.830 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092980976 1205966112 /nfs/dbraw/zinc/96/61/12/1205966112.db2.gz XJMVUGYWYGVLRP-YUELXQCFSA-N 2 2 357.462 0.931 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093103218 1206018580 /nfs/dbraw/zinc/01/85/80/1206018580.db2.gz XXUAKGGEZDOEJI-CPUCHLNUSA-N 2 2 370.457 0.829 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093103218 1206018587 /nfs/dbraw/zinc/01/85/87/1206018587.db2.gz XXUAKGGEZDOEJI-CPUCHLNUSA-N 2 2 370.457 0.829 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001093125329 1206028500 /nfs/dbraw/zinc/02/85/00/1206028500.db2.gz NBYTXLAYSQTLCA-HUUCEWRRSA-N 2 2 370.457 0.653 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001093125329 1206028507 /nfs/dbraw/zinc/02/85/07/1206028507.db2.gz NBYTXLAYSQTLCA-HUUCEWRRSA-N 2 2 370.457 0.653 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@H]1O ZINC001220552145 1224924522 /nfs/dbraw/zinc/92/45/22/1224924522.db2.gz PTNUDWHGFMSGKU-AXHCFYFUSA-N 2 2 359.470 0.583 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@H]1O ZINC001220552145 1224924526 /nfs/dbraw/zinc/92/45/26/1224924526.db2.gz PTNUDWHGFMSGKU-AXHCFYFUSA-N 2 2 359.470 0.583 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213065 1206060370 /nfs/dbraw/zinc/06/03/70/1206060370.db2.gz UOUZKPDARDPOSF-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213065 1206060373 /nfs/dbraw/zinc/06/03/73/1206060373.db2.gz UOUZKPDARDPOSF-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213065 1206060376 /nfs/dbraw/zinc/06/03/76/1206060376.db2.gz UOUZKPDARDPOSF-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]2C)C1 ZINC001093213065 1206060378 /nfs/dbraw/zinc/06/03/78/1206060378.db2.gz UOUZKPDARDPOSF-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001093289770 1206073888 /nfs/dbraw/zinc/07/38/88/1206073888.db2.gz ZNXUXXRJZBAWQQ-BMFZPTHFSA-N 2 2 361.490 0.956 20 0 FCADLP CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001093289621 1206073919 /nfs/dbraw/zinc/07/39/19/1206073919.db2.gz VPMVAUBKLYDWHC-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2[nH+]ccn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093454461 1206088042 /nfs/dbraw/zinc/08/80/42/1206088042.db2.gz FJRLQSBONBKJIM-RGCFKVTRSA-N 2 2 364.490 0.311 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001093861247 1206136321 /nfs/dbraw/zinc/13/63/21/1206136321.db2.gz LSYVTJVBGDUOPU-UXIGCNINSA-N 2 2 369.425 0.666 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)c[nH+]1 ZINC001093857273 1206145826 /nfs/dbraw/zinc/14/58/26/1206145826.db2.gz YDDDSIOMZHNQHM-TZMCWYRMSA-N 2 2 360.466 0.334 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093913918 1206147923 /nfs/dbraw/zinc/14/79/23/1206147923.db2.gz KRRSXOGPYQNEOP-ZIAGYGMSSA-N 2 2 353.430 0.961 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)nn1 ZINC001093951449 1206157334 /nfs/dbraw/zinc/15/73/34/1206157334.db2.gz JRXBHGYBVGVUEG-HUUCEWRRSA-N 2 2 358.446 0.956 20 0 FCADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)no1 ZINC001094110624 1206185510 /nfs/dbraw/zinc/18/55/10/1206185510.db2.gz JNRJWXXWFBKECE-IIAWOOMASA-N 2 2 365.478 0.845 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094167216 1206198514 /nfs/dbraw/zinc/19/85/14/1206198514.db2.gz ZABJOBIWJSHHKN-UKRRQHHQSA-N 2 2 371.489 0.853 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)[C@H](C)C1 ZINC001094189555 1206204944 /nfs/dbraw/zinc/20/49/44/1206204944.db2.gz AOKHJYAIXCLCML-FVQBIDKESA-N 2 2 361.490 0.861 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)[C@H](C)C1 ZINC001094190055 1206205012 /nfs/dbraw/zinc/20/50/12/1206205012.db2.gz WXBYUDLMODQTOB-BPLDGKMQSA-N 2 2 357.462 0.724 20 0 FCADLP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC001094189610 1206205051 /nfs/dbraw/zinc/20/50/51/1206205051.db2.gz CZPRKJFDMCXALC-TZMCWYRMSA-N 2 2 358.446 0.944 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1C ZINC001094189681 1206205087 /nfs/dbraw/zinc/20/50/87/1206205087.db2.gz FRHYOEBXRRUQAW-TZMCWYRMSA-N 2 2 359.478 0.836 20 0 FCADLP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001094189718 1206205172 /nfs/dbraw/zinc/20/51/72/1206205172.db2.gz ISZGABLGTJUURG-TZMCWYRMSA-N 2 2 360.466 0.541 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)c1nncn1C ZINC001094196677 1206206298 /nfs/dbraw/zinc/20/62/98/1206206298.db2.gz QFDZYBARPDMHQY-RBSFLKMASA-N 2 2 359.478 0.927 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094244378 1206210046 /nfs/dbraw/zinc/21/00/46/1206210046.db2.gz PYZAWCBTFPKWAK-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094244530 1206210292 /nfs/dbraw/zinc/21/02/92/1206210292.db2.gz XPNHAEDIFBKVCT-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094449938 1206227919 /nfs/dbraw/zinc/22/79/19/1206227919.db2.gz AMRYUZNZVSYNGD-IDHHARJASA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094449938 1206227921 /nfs/dbraw/zinc/22/79/21/1206227921.db2.gz AMRYUZNZVSYNGD-IDHHARJASA-N 2 2 359.474 0.552 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094783758 1206247094 /nfs/dbraw/zinc/24/70/94/1206247094.db2.gz WTBGHRIFKAUTSI-FVQBIDKESA-N 2 2 357.458 0.335 20 0 FCADLP O=C1CC[C@@H]2C[C@@H]([N@@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176116 1206259522 /nfs/dbraw/zinc/25/95/22/1206259522.db2.gz WFKCLRVYBBZEBL-LSDHHAIUSA-N 2 2 355.446 0.882 20 0 FCADLP O=C1CC[C@@H]2C[C@@H]([N@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)CCN12 ZINC001172176116 1206259525 /nfs/dbraw/zinc/25/95/25/1206259525.db2.gz WFKCLRVYBBZEBL-LSDHHAIUSA-N 2 2 355.446 0.882 20 0 FCADLP COc1ccc(CN2CC[C@@H]([N@@H+]3CCO[C@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026846 1206265312 /nfs/dbraw/zinc/26/53/12/1206265312.db2.gz QAQZEABGBHCIJZ-NVXWUHKLSA-N 2 2 363.458 0.854 20 0 FCADLP COc1ccc(CN2CC[C@@H]([N@H+]3CCO[C@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026846 1206265316 /nfs/dbraw/zinc/26/53/16/1206265316.db2.gz QAQZEABGBHCIJZ-NVXWUHKLSA-N 2 2 363.458 0.854 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110190613 1206308479 /nfs/dbraw/zinc/30/84/79/1206308479.db2.gz GVNVFMTYMOQHHF-OWSLCNJRSA-N 2 2 372.473 0.642 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110190613 1206308483 /nfs/dbraw/zinc/30/84/83/1206308483.db2.gz GVNVFMTYMOQHHF-OWSLCNJRSA-N 2 2 372.473 0.642 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC001178103629 1206352399 /nfs/dbraw/zinc/35/23/99/1206352399.db2.gz VXDOSLNRYNUVSU-IXDOHACOSA-N 2 2 362.474 0.641 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC001178103629 1206352401 /nfs/dbraw/zinc/35/24/01/1206352401.db2.gz VXDOSLNRYNUVSU-IXDOHACOSA-N 2 2 362.474 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220584884 1224949239 /nfs/dbraw/zinc/94/92/39/1224949239.db2.gz NNVAFOIOYYFQET-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C[C@@H]1O ZINC001220584884 1224949245 /nfs/dbraw/zinc/94/92/45/1224949245.db2.gz NNVAFOIOYYFQET-ZACQAIPSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220584906 1224949544 /nfs/dbraw/zinc/94/95/44/1224949544.db2.gz ODAFUYABHRRZNC-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220584906 1224949554 /nfs/dbraw/zinc/94/95/54/1224949554.db2.gz ODAFUYABHRRZNC-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP O=CN1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000774236170 1206429318 /nfs/dbraw/zinc/42/93/18/1206429318.db2.gz JBVGMWXPJDQUKB-QGZVFWFLSA-N 2 2 374.489 0.492 20 0 FCADLP CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403144 1206452761 /nfs/dbraw/zinc/45/27/61/1206452761.db2.gz OGUUVUJESQFKCA-MGPQQGTHSA-N 2 2 362.478 0.801 20 0 FCADLP CC(C)(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403144 1206452762 /nfs/dbraw/zinc/45/27/62/1206452762.db2.gz OGUUVUJESQFKCA-MGPQQGTHSA-N 2 2 362.478 0.801 20 0 FCADLP Cc1cncc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001203167676 1206460557 /nfs/dbraw/zinc/46/05/57/1206460557.db2.gz JWFQQWDAKVWLCQ-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP Cc1cncc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001203167676 1206460559 /nfs/dbraw/zinc/46/05/59/1206460559.db2.gz JWFQQWDAKVWLCQ-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)C1CC1 ZINC001188205394 1207434771 /nfs/dbraw/zinc/43/47/71/1207434771.db2.gz KLZUKXASAOXSPG-GVDBMIGSSA-N 2 2 371.485 0.819 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)C1CC1 ZINC001188205394 1207434773 /nfs/dbraw/zinc/43/47/73/1207434773.db2.gz KLZUKXASAOXSPG-GVDBMIGSSA-N 2 2 371.485 0.819 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2ccccc2CN2CC[NH+](C)CC2)CC1 ZINC001188346489 1207446181 /nfs/dbraw/zinc/44/61/81/1207446181.db2.gz AJIPVYHCPPBXPA-UHFFFAOYSA-N 2 2 360.502 0.838 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350058 1207450489 /nfs/dbraw/zinc/45/04/89/1207450489.db2.gz UBHRPCQCAWMYFX-ZIBATOQPSA-N 2 2 370.413 0.293 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188350058 1207450491 /nfs/dbraw/zinc/45/04/91/1207450491.db2.gz UBHRPCQCAWMYFX-ZIBATOQPSA-N 2 2 370.413 0.293 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560267 1207454725 /nfs/dbraw/zinc/45/47/25/1207454725.db2.gz LPULKVJKXLWWPR-FVQBIDKESA-N 2 2 361.490 0.971 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273560267 1207454726 /nfs/dbraw/zinc/45/47/26/1207454726.db2.gz LPULKVJKXLWWPR-FVQBIDKESA-N 2 2 361.490 0.971 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1)C1CC1 ZINC001188561365 1207463150 /nfs/dbraw/zinc/46/31/50/1207463150.db2.gz BKORFUYPCOLZRD-DOTOQJQBSA-N 2 2 359.474 0.735 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1)C1CC1 ZINC001188561365 1207463152 /nfs/dbraw/zinc/46/31/52/1207463152.db2.gz BKORFUYPCOLZRD-DOTOQJQBSA-N 2 2 359.474 0.735 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561370 1207463588 /nfs/dbraw/zinc/46/35/88/1207463588.db2.gz BMSDCLDNEHSTNB-YESZJQIVSA-N 2 2 361.490 0.981 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188561370 1207463591 /nfs/dbraw/zinc/46/35/91/1207463591.db2.gz BMSDCLDNEHSTNB-YESZJQIVSA-N 2 2 361.490 0.981 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001188562895 1207464377 /nfs/dbraw/zinc/46/43/77/1207464377.db2.gz VLDMTRLRVXATSY-IXDOHACOSA-N 2 2 361.490 0.980 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]21 ZINC001188562895 1207464378 /nfs/dbraw/zinc/46/43/78/1207464378.db2.gz VLDMTRLRVXATSY-IXDOHACOSA-N 2 2 361.490 0.980 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)n(C)n1 ZINC001189026559 1207500468 /nfs/dbraw/zinc/50/04/68/1207500468.db2.gz PROWAHYWPWYKIE-LSDHHAIUSA-N 2 2 362.478 0.151 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)n(C)n1 ZINC001189026559 1207500472 /nfs/dbraw/zinc/50/04/72/1207500472.db2.gz PROWAHYWPWYKIE-LSDHHAIUSA-N 2 2 362.478 0.151 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189424993 1207547969 /nfs/dbraw/zinc/54/79/69/1207547969.db2.gz IABDGSRFEXPWOE-DLBZAZTESA-N 2 2 361.490 0.983 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189899098 1207623466 /nfs/dbraw/zinc/62/34/66/1207623466.db2.gz XYHOGKHNMKTLBO-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189899098 1207623476 /nfs/dbraw/zinc/62/34/76/1207623476.db2.gz XYHOGKHNMKTLBO-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189899098 1207623482 /nfs/dbraw/zinc/62/34/82/1207623482.db2.gz XYHOGKHNMKTLBO-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001189899098 1207623484 /nfs/dbraw/zinc/62/34/84/1207623484.db2.gz XYHOGKHNMKTLBO-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189998789 1207634709 /nfs/dbraw/zinc/63/47/09/1207634709.db2.gz GMXVSPADAXQFJX-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189998789 1207634714 /nfs/dbraw/zinc/63/47/14/1207634714.db2.gz GMXVSPADAXQFJX-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901381 1207731955 /nfs/dbraw/zinc/73/19/55/1207731955.db2.gz XVZFMXOVKPZNED-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901381 1207731962 /nfs/dbraw/zinc/73/19/62/1207731962.db2.gz XVZFMXOVKPZNED-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901381 1207731964 /nfs/dbraw/zinc/73/19/64/1207731964.db2.gz XVZFMXOVKPZNED-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901381 1207731966 /nfs/dbraw/zinc/73/19/66/1207731966.db2.gz XVZFMXOVKPZNED-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(C(=O)NCC[NH+]3CC4(COC4)C3)cc2)CC1 ZINC001190866657 1207733565 /nfs/dbraw/zinc/73/35/65/1207733565.db2.gz SYSQVNUBOFIFCN-UHFFFAOYSA-N 2 2 372.513 0.886 20 0 FCADLP CCC(CC)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899090 1207736564 /nfs/dbraw/zinc/73/65/64/1207736564.db2.gz HBLHLWNYGHVULF-HYVNUMGLSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899090 1207736571 /nfs/dbraw/zinc/73/65/71/1207736571.db2.gz HBLHLWNYGHVULF-HYVNUMGLSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899090 1207736578 /nfs/dbraw/zinc/73/65/78/1207736578.db2.gz HBLHLWNYGHVULF-HYVNUMGLSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899090 1207736581 /nfs/dbraw/zinc/73/65/81/1207736581.db2.gz HBLHLWNYGHVULF-HYVNUMGLSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897971 1207736805 /nfs/dbraw/zinc/73/68/05/1207736805.db2.gz AEIBUQNVLLJCOB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897971 1207736815 /nfs/dbraw/zinc/73/68/15/1207736815.db2.gz AEIBUQNVLLJCOB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897971 1207736823 /nfs/dbraw/zinc/73/68/23/1207736823.db2.gz AEIBUQNVLLJCOB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC3CCC3)C2)O1 ZINC001190897971 1207736830 /nfs/dbraw/zinc/73/68/30/1207736830.db2.gz AEIBUQNVLLJCOB-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001192632067 1207840814 /nfs/dbraw/zinc/84/08/14/1207840814.db2.gz BMBFMRQDQVQVPS-IAGOWNOFSA-N 2 2 357.458 0.770 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001192632067 1207840816 /nfs/dbraw/zinc/84/08/16/1207840816.db2.gz BMBFMRQDQVQVPS-IAGOWNOFSA-N 2 2 357.458 0.770 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192632951 1207841181 /nfs/dbraw/zinc/84/11/81/1207841181.db2.gz ONKSJCDYRYGQHW-IAGOWNOFSA-N 2 2 358.442 0.850 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC001192632951 1207841183 /nfs/dbraw/zinc/84/11/83/1207841183.db2.gz ONKSJCDYRYGQHW-IAGOWNOFSA-N 2 2 358.442 0.850 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2)o1 ZINC001193447113 1207873444 /nfs/dbraw/zinc/87/34/44/1207873444.db2.gz JNCZWIMLQGFNAO-RBSFLKMASA-N 2 2 370.469 0.887 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2)o1 ZINC001193447113 1207873446 /nfs/dbraw/zinc/87/34/46/1207873446.db2.gz JNCZWIMLQGFNAO-RBSFLKMASA-N 2 2 370.469 0.887 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O ZINC001193737531 1207886098 /nfs/dbraw/zinc/88/60/98/1207886098.db2.gz AJCKXTXHQNZBNP-KZNAEPCWSA-N 2 2 361.490 0.475 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O ZINC001193737531 1207886099 /nfs/dbraw/zinc/88/60/99/1207886099.db2.gz AJCKXTXHQNZBNP-KZNAEPCWSA-N 2 2 361.490 0.475 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773612 1207888046 /nfs/dbraw/zinc/88/80/46/1207888046.db2.gz AHMDKJXTMAPPQI-ARFHVFGLSA-N 2 2 368.522 0.183 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1F ZINC001193746803 1207889838 /nfs/dbraw/zinc/88/98/38/1207889838.db2.gz REBSZSQCLAGSKH-HZPDHXFCSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1F ZINC001193746803 1207889839 /nfs/dbraw/zinc/88/98/39/1207889839.db2.gz REBSZSQCLAGSKH-HZPDHXFCSA-N 2 2 365.449 0.980 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001194235507 1207925996 /nfs/dbraw/zinc/92/59/96/1207925996.db2.gz KXFKKEYIYKTFEZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001194235507 1207925999 /nfs/dbraw/zinc/92/59/99/1207925999.db2.gz KXFKKEYIYKTFEZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001194235507 1207926003 /nfs/dbraw/zinc/92/60/03/1207926003.db2.gz KXFKKEYIYKTFEZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1O ZINC001194235507 1207926005 /nfs/dbraw/zinc/92/60/05/1207926005.db2.gz KXFKKEYIYKTFEZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194250894 1207927228 /nfs/dbraw/zinc/92/72/28/1207927228.db2.gz IORKQCNXYFKBAC-KBAYOESNSA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194250894 1207927232 /nfs/dbraw/zinc/92/72/32/1207927232.db2.gz IORKQCNXYFKBAC-KBAYOESNSA-N 2 2 364.490 0.670 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265277 1207928213 /nfs/dbraw/zinc/92/82/13/1207928213.db2.gz OVSSHLXIIVZQPH-ARFHVFGLSA-N 2 2 370.538 0.429 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265277 1207928220 /nfs/dbraw/zinc/92/82/20/1207928220.db2.gz OVSSHLXIIVZQPH-ARFHVFGLSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265277 1207928224 /nfs/dbraw/zinc/92/82/24/1207928224.db2.gz OVSSHLXIIVZQPH-ARFHVFGLSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1O ZINC001194265277 1207928230 /nfs/dbraw/zinc/92/82/30/1207928230.db2.gz OVSSHLXIIVZQPH-ARFHVFGLSA-N 2 2 370.538 0.429 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)cn1 ZINC001194321503 1207932247 /nfs/dbraw/zinc/93/22/47/1207932247.db2.gz YRWDAPTXMOBEDI-IAGOWNOFSA-N 2 2 363.506 0.734 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)cn1 ZINC001194321503 1207932250 /nfs/dbraw/zinc/93/22/50/1207932250.db2.gz YRWDAPTXMOBEDI-IAGOWNOFSA-N 2 2 363.506 0.734 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)cn1 ZINC001194321503 1207932253 /nfs/dbraw/zinc/93/22/53/1207932253.db2.gz YRWDAPTXMOBEDI-IAGOWNOFSA-N 2 2 363.506 0.734 20 0 FCADLP Cn1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)cn1 ZINC001194321503 1207932256 /nfs/dbraw/zinc/93/22/56/1207932256.db2.gz YRWDAPTXMOBEDI-IAGOWNOFSA-N 2 2 363.506 0.734 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001194431270 1207950721 /nfs/dbraw/zinc/95/07/21/1207950721.db2.gz YLQFKUNKEMAKBN-QZTJIDSGSA-N 2 2 358.442 0.926 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001194431270 1207950730 /nfs/dbraw/zinc/95/07/30/1207950730.db2.gz YLQFKUNKEMAKBN-QZTJIDSGSA-N 2 2 358.442 0.926 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996826 1207987959 /nfs/dbraw/zinc/98/79/59/1207987959.db2.gz IUYOYPLMDWZRFR-IXDOHACOSA-N 2 2 366.506 0.081 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996826 1207987961 /nfs/dbraw/zinc/98/79/61/1207987961.db2.gz IUYOYPLMDWZRFR-IXDOHACOSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996826 1207987963 /nfs/dbraw/zinc/98/79/63/1207987963.db2.gz IUYOYPLMDWZRFR-IXDOHACOSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996826 1207987964 /nfs/dbraw/zinc/98/79/64/1207987964.db2.gz IUYOYPLMDWZRFR-IXDOHACOSA-N 2 2 366.506 0.081 20 0 FCADLP Cc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001195127893 1208000691 /nfs/dbraw/zinc/00/06/91/1208000691.db2.gz BQZNBDKEDCVHRX-QZTJIDSGSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001195127893 1208000696 /nfs/dbraw/zinc/00/06/96/1208000696.db2.gz BQZNBDKEDCVHRX-QZTJIDSGSA-N 2 2 358.442 0.822 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195139597 1208001949 /nfs/dbraw/zinc/00/19/49/1208001949.db2.gz VYYULPKAWLNRKT-QZTJIDSGSA-N 2 2 358.442 0.781 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001195139597 1208001952 /nfs/dbraw/zinc/00/19/52/1208001952.db2.gz VYYULPKAWLNRKT-QZTJIDSGSA-N 2 2 358.442 0.781 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O)[NH+](C)C ZINC001195980886 1208049306 /nfs/dbraw/zinc/04/93/06/1208049306.db2.gz JPKYZGUTIATEED-BRWVUGGUSA-N 2 2 362.474 0.033 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1O)[NH+](CC)CC ZINC001196115353 1208058412 /nfs/dbraw/zinc/05/84/12/1208058412.db2.gz MLYAVPIFGBNTSJ-IXDOHACOSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1O)[NH+](CC)CC ZINC001196115353 1208058414 /nfs/dbraw/zinc/05/84/14/1208058414.db2.gz MLYAVPIFGBNTSJ-IXDOHACOSA-N 2 2 364.490 0.872 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196185521 1208059756 /nfs/dbraw/zinc/05/97/56/1208059756.db2.gz XJHQNBKSHHWLBG-ARFHVFGLSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196185521 1208059760 /nfs/dbraw/zinc/05/97/60/1208059760.db2.gz XJHQNBKSHHWLBG-ARFHVFGLSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196185521 1208059763 /nfs/dbraw/zinc/05/97/63/1208059763.db2.gz XJHQNBKSHHWLBG-ARFHVFGLSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196185521 1208059767 /nfs/dbraw/zinc/05/97/67/1208059767.db2.gz XJHQNBKSHHWLBG-ARFHVFGLSA-N 2 2 368.522 0.135 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196199769 1208065418 /nfs/dbraw/zinc/06/54/18/1208065418.db2.gz MASSGHMUWRVMNI-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)n1 ZINC001196199769 1208065421 /nfs/dbraw/zinc/06/54/21/1208065421.db2.gz MASSGHMUWRVMNI-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)n1 ZINC001196199769 1208065424 /nfs/dbraw/zinc/06/54/24/1208065424.db2.gz MASSGHMUWRVMNI-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)n1 ZINC001196199769 1208065426 /nfs/dbraw/zinc/06/54/26/1208065426.db2.gz MASSGHMUWRVMNI-HZPDHXFCSA-N 2 2 364.490 0.729 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222224 1208067231 /nfs/dbraw/zinc/06/72/31/1208067231.db2.gz KIPQUFSJFXTAPH-ARFHVFGLSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222224 1208067235 /nfs/dbraw/zinc/06/72/35/1208067235.db2.gz KIPQUFSJFXTAPH-ARFHVFGLSA-N 2 2 370.538 0.430 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222224 1208067240 /nfs/dbraw/zinc/06/72/40/1208067240.db2.gz KIPQUFSJFXTAPH-ARFHVFGLSA-N 2 2 370.538 0.430 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222315 1208067332 /nfs/dbraw/zinc/06/73/32/1208067332.db2.gz KORYUFNAYPLZAP-ARFHVFGLSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222315 1208067337 /nfs/dbraw/zinc/06/73/37/1208067337.db2.gz KORYUFNAYPLZAP-ARFHVFGLSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222315 1208067340 /nfs/dbraw/zinc/06/73/40/1208067340.db2.gz KORYUFNAYPLZAP-ARFHVFGLSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CC1 ZINC001196221986 1208067508 /nfs/dbraw/zinc/06/75/08/1208067508.db2.gz DDJJYCNXIVYMOU-HZPDHXFCSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1)C1CC1 ZINC001196221986 1208067512 /nfs/dbraw/zinc/06/75/12/1208067512.db2.gz DDJJYCNXIVYMOU-HZPDHXFCSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C1CC1 ZINC001196221986 1208067514 /nfs/dbraw/zinc/06/75/14/1208067514.db2.gz DDJJYCNXIVYMOU-HZPDHXFCSA-N 2 2 368.522 0.137 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1O ZINC001196222661 1208068631 /nfs/dbraw/zinc/06/86/31/1208068631.db2.gz WOXJTBRINODFRI-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1O ZINC001196222661 1208068636 /nfs/dbraw/zinc/06/86/36/1208068636.db2.gz WOXJTBRINODFRI-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001196222661 1208068640 /nfs/dbraw/zinc/06/86/40/1208068640.db2.gz WOXJTBRINODFRI-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001196222661 1208068643 /nfs/dbraw/zinc/06/86/43/1208068643.db2.gz WOXJTBRINODFRI-WOJBJXKFSA-N 2 2 368.481 0.917 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196925013 1208119444 /nfs/dbraw/zinc/11/94/44/1208119444.db2.gz HILUAARMGZEJDU-IAGOWNOFSA-N 2 2 361.446 0.884 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196925013 1208119447 /nfs/dbraw/zinc/11/94/47/1208119447.db2.gz HILUAARMGZEJDU-IAGOWNOFSA-N 2 2 361.446 0.884 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O)C(C)C ZINC001197017367 1208128386 /nfs/dbraw/zinc/12/83/86/1208128386.db2.gz DAZZYNMLFLYYOJ-JFIYKMOQSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O)C(C)C ZINC001197017367 1208128391 /nfs/dbraw/zinc/12/83/91/1208128391.db2.gz DAZZYNMLFLYYOJ-JFIYKMOQSA-N 2 2 368.522 0.137 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1O ZINC001197001255 1208128793 /nfs/dbraw/zinc/12/87/93/1208128793.db2.gz WVFXXJCMMYBCJM-IAGOWNOFSA-N 2 2 370.538 0.527 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1O ZINC001197001255 1208128797 /nfs/dbraw/zinc/12/87/97/1208128797.db2.gz WVFXXJCMMYBCJM-IAGOWNOFSA-N 2 2 370.538 0.527 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1O ZINC001197001255 1208128800 /nfs/dbraw/zinc/12/88/00/1208128800.db2.gz WVFXXJCMMYBCJM-IAGOWNOFSA-N 2 2 370.538 0.527 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1O ZINC001197001255 1208128805 /nfs/dbraw/zinc/12/88/05/1208128805.db2.gz WVFXXJCMMYBCJM-IAGOWNOFSA-N 2 2 370.538 0.527 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220740388 1225047289 /nfs/dbraw/zinc/04/72/89/1225047289.db2.gz HOOMNMLXQGCWOP-BBWFWOEESA-N 2 2 370.538 0.527 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001220740388 1225047296 /nfs/dbraw/zinc/04/72/96/1225047296.db2.gz HOOMNMLXQGCWOP-BBWFWOEESA-N 2 2 370.538 0.527 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001197049352 1208130925 /nfs/dbraw/zinc/13/09/25/1208130925.db2.gz MOPBNPUCPZMZPI-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001197049352 1208130928 /nfs/dbraw/zinc/13/09/28/1208130928.db2.gz MOPBNPUCPZMZPI-RTBURBONSA-N 2 2 371.485 0.875 20 0 FCADLP C[N@@H+]1CCCN(Cc2cccc(C(=O)NCC[NH+]3CC4(COC4)C3)c2)CC1 ZINC001197520147 1208170064 /nfs/dbraw/zinc/17/00/64/1208170064.db2.gz AXTLNOGVWDBHKY-UHFFFAOYSA-N 2 2 372.513 0.886 20 0 FCADLP C[N@H+]1CCCN(Cc2cccc(C(=O)NCC[NH+]3CC4(COC4)C3)c2)CC1 ZINC001197520147 1208170067 /nfs/dbraw/zinc/17/00/67/1208170067.db2.gz AXTLNOGVWDBHKY-UHFFFAOYSA-N 2 2 372.513 0.886 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220740361 1225047393 /nfs/dbraw/zinc/04/73/93/1225047393.db2.gz GGQOPGPKWOVOLZ-IKGGRYGDSA-N 2 2 368.522 0.329 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220740361 1225047400 /nfs/dbraw/zinc/04/74/00/1225047400.db2.gz GGQOPGPKWOVOLZ-IKGGRYGDSA-N 2 2 368.522 0.329 20 0 FCADLP C[NH+]1CCN(c2cnccc2C(=O)NCC2([NH+]3CCCC3)COC2)CC1 ZINC001198153114 1208224409 /nfs/dbraw/zinc/22/44/09/1208224409.db2.gz MIQKEHAGKFTJFN-UHFFFAOYSA-N 2 2 359.474 0.428 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198286797 1208234687 /nfs/dbraw/zinc/23/46/87/1208234687.db2.gz YZFSJQKXBXEYAD-IEBWSBKVSA-N 2 2 371.485 0.780 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198286797 1208234689 /nfs/dbraw/zinc/23/46/89/1208234689.db2.gz YZFSJQKXBXEYAD-IEBWSBKVSA-N 2 2 371.485 0.780 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O ZINC001198689752 1208278335 /nfs/dbraw/zinc/27/83/35/1208278335.db2.gz RMZVSUBORDMKRK-BMGDILEWSA-N 2 2 365.449 0.455 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O ZINC001198689752 1208278337 /nfs/dbraw/zinc/27/83/37/1208278337.db2.gz RMZVSUBORDMKRK-BMGDILEWSA-N 2 2 365.449 0.455 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198679912 1208282495 /nfs/dbraw/zinc/28/24/95/1208282495.db2.gz LJHKWEJWUPOZRR-BPLDGKMQSA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198679912 1208282501 /nfs/dbraw/zinc/28/25/01/1208282501.db2.gz LJHKWEJWUPOZRR-BPLDGKMQSA-N 2 2 365.478 0.046 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198688572 1208283284 /nfs/dbraw/zinc/28/32/84/1208283284.db2.gz HWPOMYCCLUJTGA-KBAYOESNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198688572 1208283286 /nfs/dbraw/zinc/28/32/86/1208283286.db2.gz HWPOMYCCLUJTGA-KBAYOESNSA-N 2 2 362.474 0.020 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057019 1208314766 /nfs/dbraw/zinc/31/47/66/1208314766.db2.gz CMWLEISFNVTLSG-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057019 1208314767 /nfs/dbraw/zinc/31/47/67/1208314767.db2.gz CMWLEISFNVTLSG-ARFHVFGLSA-N 2 2 368.522 0.327 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119490 1208322572 /nfs/dbraw/zinc/32/25/72/1208322572.db2.gz HGSIZKAWGHRNRH-NUJGCVRESA-N 2 2 358.442 0.947 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119490 1208322574 /nfs/dbraw/zinc/32/25/74/1208322574.db2.gz HGSIZKAWGHRNRH-NUJGCVRESA-N 2 2 358.442 0.947 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1O)Cc1ccccc1 ZINC001199377942 1208344522 /nfs/dbraw/zinc/34/45/22/1208344522.db2.gz RNSKQDXEUVFAQX-RTBURBONSA-N 2 2 354.454 0.875 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1O)Cc1ccccc1 ZINC001199377942 1208344524 /nfs/dbraw/zinc/34/45/24/1208344524.db2.gz RNSKQDXEUVFAQX-RTBURBONSA-N 2 2 354.454 0.875 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O)Cc1ccccc1 ZINC001199377942 1208344525 /nfs/dbraw/zinc/34/45/25/1208344525.db2.gz RNSKQDXEUVFAQX-RTBURBONSA-N 2 2 354.454 0.875 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)Cc1ccccc1 ZINC001199377942 1208344528 /nfs/dbraw/zinc/34/45/28/1208344528.db2.gz RNSKQDXEUVFAQX-RTBURBONSA-N 2 2 354.454 0.875 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001199415727 1208345653 /nfs/dbraw/zinc/34/56/53/1208345653.db2.gz YWFIMMIJQQGGBQ-IAGOWNOFSA-N 2 2 362.405 0.653 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001199415727 1208345657 /nfs/dbraw/zinc/34/56/57/1208345657.db2.gz YWFIMMIJQQGGBQ-IAGOWNOFSA-N 2 2 362.405 0.653 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001199405769 1208349633 /nfs/dbraw/zinc/34/96/33/1208349633.db2.gz KUEGUYQVMICZFM-KZNAEPCWSA-N 2 2 358.442 0.038 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1O ZINC001199405769 1208349637 /nfs/dbraw/zinc/34/96/37/1208349637.db2.gz KUEGUYQVMICZFM-KZNAEPCWSA-N 2 2 358.442 0.038 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764754 1225060089 /nfs/dbraw/zinc/06/00/89/1225060089.db2.gz VOAMHAHTJUOMIB-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764754 1225060098 /nfs/dbraw/zinc/06/00/98/1225060098.db2.gz VOAMHAHTJUOMIB-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764754 1225060107 /nfs/dbraw/zinc/06/01/07/1225060107.db2.gz VOAMHAHTJUOMIB-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1)C(C)C ZINC001220764754 1225060116 /nfs/dbraw/zinc/06/01/16/1225060116.db2.gz VOAMHAHTJUOMIB-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)NCC1CCC1 ZINC001691708966 1208446078 /nfs/dbraw/zinc/44/60/78/1208446078.db2.gz KOHWOKAWKVHSIU-QKPAOTATSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)NCC1CCC1 ZINC001691708966 1208446079 /nfs/dbraw/zinc/44/60/79/1208446079.db2.gz KOHWOKAWKVHSIU-QKPAOTATSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110578478 1208487440 /nfs/dbraw/zinc/48/74/40/1208487440.db2.gz IUXLLCXUBUUSQO-ZACQAIPSSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110578478 1208487442 /nfs/dbraw/zinc/48/74/42/1208487442.db2.gz IUXLLCXUBUUSQO-ZACQAIPSSA-N 2 2 362.474 0.492 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220809231 1225082332 /nfs/dbraw/zinc/08/23/32/1225082332.db2.gz OUXMFGFFXUZYFN-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001220809231 1225082340 /nfs/dbraw/zinc/08/23/40/1225082340.db2.gz OUXMFGFFXUZYFN-OAGGEKHMSA-N 2 2 368.522 0.279 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806711 1225082673 /nfs/dbraw/zinc/08/26/73/1225082673.db2.gz KPHUAXNSNHLRKW-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806711 1225082675 /nfs/dbraw/zinc/08/26/75/1225082675.db2.gz KPHUAXNSNHLRKW-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220826153 1225090750 /nfs/dbraw/zinc/09/07/50/1225090750.db2.gz PFKDVASUHBJKPQ-SJORKVTESA-N 2 2 364.490 0.874 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220826153 1225090758 /nfs/dbraw/zinc/09/07/58/1225090758.db2.gz PFKDVASUHBJKPQ-SJORKVTESA-N 2 2 364.490 0.874 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220826153 1225090766 /nfs/dbraw/zinc/09/07/66/1225090766.db2.gz PFKDVASUHBJKPQ-SJORKVTESA-N 2 2 364.490 0.874 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220826153 1225090777 /nfs/dbraw/zinc/09/07/77/1225090777.db2.gz PFKDVASUHBJKPQ-SJORKVTESA-N 2 2 364.490 0.874 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001220823873 1225089273 /nfs/dbraw/zinc/08/92/73/1225089273.db2.gz HGNCUWIHHGHLMA-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001220823873 1225089276 /nfs/dbraw/zinc/08/92/76/1225089276.db2.gz HGNCUWIHHGHLMA-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001220823873 1225089281 /nfs/dbraw/zinc/08/92/81/1225089281.db2.gz HGNCUWIHHGHLMA-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1O ZINC001220823873 1225089288 /nfs/dbraw/zinc/08/92/88/1225089288.db2.gz HGNCUWIHHGHLMA-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001489545302 1208906908 /nfs/dbraw/zinc/90/69/08/1208906908.db2.gz MSPTXAWINLEUIK-BZUAXINKSA-N 2 2 365.478 0.518 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001489545302 1208906921 /nfs/dbraw/zinc/90/69/21/1208906921.db2.gz MSPTXAWINLEUIK-BZUAXINKSA-N 2 2 365.478 0.518 20 0 FCADLP CCOC(=O)[C@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001220875920 1225119759 /nfs/dbraw/zinc/11/97/59/1225119759.db2.gz BGDKUAIMJDGKRA-SJORKVTESA-N 2 2 362.474 0.200 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@@H]1O ZINC001220888139 1225124366 /nfs/dbraw/zinc/12/43/66/1225124366.db2.gz BIGTUMRYAPARGK-MSOLQXFVSA-N 2 2 360.433 0.896 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@@H]1O ZINC001220888139 1225124370 /nfs/dbraw/zinc/12/43/70/1225124370.db2.gz BIGTUMRYAPARGK-MSOLQXFVSA-N 2 2 360.433 0.896 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@H+](C[C@H]1CCOC1)C2 ZINC001202484843 1209519604 /nfs/dbraw/zinc/51/96/04/1209519604.db2.gz FCCYKTGWKWOPIH-IAGOWNOFSA-N 2 2 364.490 0.705 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@@H+](C[C@H]1CCOC1)C2 ZINC001202484843 1209519607 /nfs/dbraw/zinc/51/96/07/1209519607.db2.gz FCCYKTGWKWOPIH-IAGOWNOFSA-N 2 2 364.490 0.705 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001110644607 1209539223 /nfs/dbraw/zinc/53/92/23/1209539223.db2.gz SSNADZYKVCILAS-FPCVCCKLSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001110644607 1209539230 /nfs/dbraw/zinc/53/92/30/1209539230.db2.gz SSNADZYKVCILAS-FPCVCCKLSA-N 2 2 355.446 0.843 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852890150 1209573904 /nfs/dbraw/zinc/57/39/04/1209573904.db2.gz RYQKFVSDUJYSLV-INIZCTEOSA-N 2 2 359.430 0.393 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664833 1209589761 /nfs/dbraw/zinc/58/97/61/1209589761.db2.gz ZPGKTOSCKIMRKV-OAGGEKHMSA-N 2 2 366.506 0.345 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664833 1209589767 /nfs/dbraw/zinc/58/97/67/1209589767.db2.gz ZPGKTOSCKIMRKV-OAGGEKHMSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001110748923 1209794251 /nfs/dbraw/zinc/79/42/51/1209794251.db2.gz XZEFQOHJKPYBBA-DFBGVHRSSA-N 2 2 370.413 0.173 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001110748923 1209794255 /nfs/dbraw/zinc/79/42/55/1209794255.db2.gz XZEFQOHJKPYBBA-DFBGVHRSSA-N 2 2 370.413 0.173 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000859358896 1209819180 /nfs/dbraw/zinc/81/91/80/1209819180.db2.gz FQUKGZGVYFGOBR-OAHLLOKOSA-N 2 2 372.510 0.356 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000859358896 1209819182 /nfs/dbraw/zinc/81/91/82/1209819182.db2.gz FQUKGZGVYFGOBR-OAHLLOKOSA-N 2 2 372.510 0.356 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981379 1225172745 /nfs/dbraw/zinc/17/27/45/1225172745.db2.gz UDSJKQLDCCOCCL-KURKYZTESA-N 2 2 371.522 0.179 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981379 1225172750 /nfs/dbraw/zinc/17/27/50/1225172750.db2.gz UDSJKQLDCCOCCL-KURKYZTESA-N 2 2 371.522 0.179 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000861736275 1209878206 /nfs/dbraw/zinc/87/82/06/1209878206.db2.gz XTVMRLZICIUBMR-INIZCTEOSA-N 2 2 370.457 0.648 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001111496899 1209912030 /nfs/dbraw/zinc/91/20/30/1209912030.db2.gz KFDOXKVVUPXAKV-OAGGEKHMSA-N 2 2 360.462 0.410 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111496899 1209912034 /nfs/dbraw/zinc/91/20/34/1209912034.db2.gz KFDOXKVVUPXAKV-OAGGEKHMSA-N 2 2 360.462 0.410 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000866215241 1209994292 /nfs/dbraw/zinc/99/42/92/1209994292.db2.gz HVJTZEIKVUBLLF-FDIFFNORSA-N 2 2 359.470 0.628 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000866215241 1209994294 /nfs/dbraw/zinc/99/42/94/1209994294.db2.gz HVJTZEIKVUBLLF-FDIFFNORSA-N 2 2 359.470 0.628 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000866556345 1209998740 /nfs/dbraw/zinc/99/87/40/1209998740.db2.gz RYWYNWSEHIGFCB-POAQFYNOSA-N 2 2 374.485 0.509 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000866556345 1209998743 /nfs/dbraw/zinc/99/87/43/1209998743.db2.gz RYWYNWSEHIGFCB-POAQFYNOSA-N 2 2 374.485 0.509 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@H]2CCC[N@@H+]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001221060641 1225203935 /nfs/dbraw/zinc/20/39/35/1225203935.db2.gz INUKHHVUDWEKLY-DLBZAZTESA-N 2 2 374.485 0.502 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C3)C2)c1 ZINC001221060641 1225203940 /nfs/dbraw/zinc/20/39/40/1225203940.db2.gz INUKHHVUDWEKLY-DLBZAZTESA-N 2 2 374.485 0.502 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703784 1210318353 /nfs/dbraw/zinc/31/83/53/1210318353.db2.gz XUCHWZJXDXYJNM-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703784 1210318358 /nfs/dbraw/zinc/31/83/58/1210318358.db2.gz XUCHWZJXDXYJNM-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874703784 1210318365 /nfs/dbraw/zinc/31/83/65/1210318365.db2.gz XUCHWZJXDXYJNM-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000874703784 1210318368 /nfs/dbraw/zinc/31/83/68/1210318368.db2.gz XUCHWZJXDXYJNM-ICSRJNTNSA-N 2 2 361.486 0.850 20 0 FCADLP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000875337307 1210367282 /nfs/dbraw/zinc/36/72/82/1210367282.db2.gz NTXLQDOSXXNVQT-INIZCTEOSA-N 2 2 361.490 0.941 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073196 1225209309 /nfs/dbraw/zinc/20/93/09/1225209309.db2.gz KTRKAXPGTBLWGY-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073196 1225209313 /nfs/dbraw/zinc/20/93/13/1225209313.db2.gz KTRKAXPGTBLWGY-BBWFWOEESA-N 2 2 368.522 0.329 20 0 FCADLP O=C(CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000877278630 1210442194 /nfs/dbraw/zinc/44/21/94/1210442194.db2.gz VIPSKBUABYZHTI-DLBZAZTESA-N 2 2 371.485 0.863 20 0 FCADLP C[N@H+](CCCON1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879355761 1210479206 /nfs/dbraw/zinc/47/92/06/1210479206.db2.gz MKXQMFAXJAQDJH-UHFFFAOYSA-N 2 2 374.441 0.310 20 0 FCADLP C[N@@H+](CCCON1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879355761 1210479209 /nfs/dbraw/zinc/47/92/09/1210479209.db2.gz MKXQMFAXJAQDJH-UHFFFAOYSA-N 2 2 374.441 0.310 20 0 FCADLP CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000880309451 1210526727 /nfs/dbraw/zinc/52/67/27/1210526727.db2.gz WXRSIUVYVHNCJB-BGYRXZFFSA-N 2 2 370.497 0.741 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](CC(N)=O)C1CCOCC1)c1ccccc1 ZINC000880394412 1210534131 /nfs/dbraw/zinc/53/41/31/1210534131.db2.gz AXXDDEPGGOJZJW-KRWDZBQOSA-N 2 2 362.474 0.372 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](CC(N)=O)C1CCOCC1)c1ccccc1 ZINC000880394412 1210534139 /nfs/dbraw/zinc/53/41/39/1210534139.db2.gz AXXDDEPGGOJZJW-KRWDZBQOSA-N 2 2 362.474 0.372 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091128 1225217364 /nfs/dbraw/zinc/21/73/64/1225217364.db2.gz CUMNMDHXUKLAGE-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091128 1225217368 /nfs/dbraw/zinc/21/73/68/1225217368.db2.gz CUMNMDHXUKLAGE-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091128 1225217373 /nfs/dbraw/zinc/21/73/73/1225217373.db2.gz CUMNMDHXUKLAGE-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001221091128 1225217377 /nfs/dbraw/zinc/21/73/77/1225217377.db2.gz CUMNMDHXUKLAGE-BBWFWOEESA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(CCC[NH+]3CCOCC3)nn2)CC1 ZINC000881019944 1210562946 /nfs/dbraw/zinc/56/29/46/1210562946.db2.gz QINNCLCTFPHCDN-MRXNPFEDSA-N 2 2 364.494 0.268 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(CCC[NH+]3CCOCC3)nn2)CC1 ZINC000881019943 1210563167 /nfs/dbraw/zinc/56/31/67/1210563167.db2.gz QINNCLCTFPHCDN-INIZCTEOSA-N 2 2 364.494 0.268 20 0 FCADLP CCOC(=O)N1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000883371041 1210663219 /nfs/dbraw/zinc/66/32/19/1210663219.db2.gz XSSOTGJREHIQQL-GOSISDBHSA-N 2 2 368.522 0.994 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1(C[NH3+])CCCCC1 ZINC000883652401 1210680430 /nfs/dbraw/zinc/68/04/30/1210680430.db2.gz NEORBPBMQDCPHX-MRXNPFEDSA-N 2 2 366.506 0.430 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884188249 1210720778 /nfs/dbraw/zinc/72/07/78/1210720778.db2.gz CHFFJIRDOMIERQ-INIZCTEOSA-N 2 2 358.442 0.583 20 0 FCADLP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884197051 1210721525 /nfs/dbraw/zinc/72/15/25/1210721525.db2.gz JBLAZSXDBIQNAR-QGZVFWFLSA-N 2 2 359.474 0.428 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)[nH+]c12 ZINC000884492106 1210738975 /nfs/dbraw/zinc/73/89/75/1210738975.db2.gz MUDPNVCHUDEIJO-IFXJQAMLSA-N 2 2 355.442 0.369 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000884492107 1210739318 /nfs/dbraw/zinc/73/93/18/1210739318.db2.gz MXPVXLHIGWXGML-MRXNPFEDSA-N 2 2 357.458 0.902 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884627202 1210765859 /nfs/dbraw/zinc/76/58/59/1210765859.db2.gz HNZVHYIUWXZYPC-UHFFFAOYSA-N 2 2 367.453 0.962 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884643579 1210771577 /nfs/dbraw/zinc/77/15/77/1210771577.db2.gz LSPOFWQQQKGFOK-HNNXBMFYSA-N 2 2 357.458 0.521 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000884643445 1210771819 /nfs/dbraw/zinc/77/18/19/1210771819.db2.gz HYKDYMKJTFICIU-GJZGRUSLSA-N 2 2 359.474 0.671 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000884678505 1210778543 /nfs/dbraw/zinc/77/85/43/1210778543.db2.gz DKKYUVYSFLOHMM-ROUUACIJSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000884678505 1210778549 /nfs/dbraw/zinc/77/85/49/1210778549.db2.gz DKKYUVYSFLOHMM-ROUUACIJSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706599 1210784313 /nfs/dbraw/zinc/78/43/13/1210784313.db2.gz IHNBHGPAWWLVMU-ZWKOTPCHSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706599 1210784318 /nfs/dbraw/zinc/78/43/18/1210784318.db2.gz IHNBHGPAWWLVMU-ZWKOTPCHSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C[NH2+]1 ZINC000884818037 1210799017 /nfs/dbraw/zinc/79/90/17/1210799017.db2.gz WCZDPMWMYJHMOH-DJIMGWMZSA-N 2 2 355.442 0.997 20 0 FCADLP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221152453 1225241742 /nfs/dbraw/zinc/24/17/42/1225241742.db2.gz YLGJHPCLXVPNCI-KXBFYZLASA-N 2 2 357.458 0.556 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001221152488 1225241841 /nfs/dbraw/zinc/24/18/41/1225241841.db2.gz ZIYAZNFJFGFOJW-OAHLLOKOSA-N 2 2 356.430 0.898 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000885021063 1210809235 /nfs/dbraw/zinc/80/92/35/1210809235.db2.gz TYQLALBWJAGWOP-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000885021063 1210809238 /nfs/dbraw/zinc/80/92/38/1210809238.db2.gz TYQLALBWJAGWOP-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)cc1 ZINC000885019923 1210809497 /nfs/dbraw/zinc/80/94/97/1210809497.db2.gz AYXBGLGFLLKKSZ-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)cc1 ZINC000885019923 1210809498 /nfs/dbraw/zinc/80/94/98/1210809498.db2.gz AYXBGLGFLLKKSZ-KRWDZBQOSA-N 2 2 362.474 0.119 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227575 1210816148 /nfs/dbraw/zinc/81/61/48/1210816148.db2.gz KJKWADSBXHGNMB-XIRDDKMYSA-N 2 2 355.442 0.936 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227572 1210816230 /nfs/dbraw/zinc/81/62/30/1210816230.db2.gz KJKWADSBXHGNMB-UAGQMJEPSA-N 2 2 355.442 0.936 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H]1C[NH3+] ZINC000885228402 1210816360 /nfs/dbraw/zinc/81/63/60/1210816360.db2.gz ULBHYDTWDXDEMO-DJIMGWMZSA-N 2 2 355.442 0.794 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000885895682 1210821698 /nfs/dbraw/zinc/82/16/98/1210821698.db2.gz KJGUAOAVQLBMNX-KURKYZTESA-N 2 2 367.490 0.236 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000885895682 1210821701 /nfs/dbraw/zinc/82/17/01/1210821701.db2.gz KJGUAOAVQLBMNX-KURKYZTESA-N 2 2 367.490 0.236 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000886581773 1210832599 /nfs/dbraw/zinc/83/25/99/1210832599.db2.gz ORNHDWYMGPMOBA-HSALFYBXSA-N 2 2 373.497 0.838 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000886581773 1210832601 /nfs/dbraw/zinc/83/26/01/1210832601.db2.gz ORNHDWYMGPMOBA-HSALFYBXSA-N 2 2 373.497 0.838 20 0 FCADLP O=C(C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000887079455 1210846023 /nfs/dbraw/zinc/84/60/23/1210846023.db2.gz RZRQUEYRSIFEEQ-FQEVSTJZSA-N 2 2 371.485 0.722 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158589 1225243996 /nfs/dbraw/zinc/24/39/96/1225243996.db2.gz NPBRNGKRQKFOHD-OIISXLGYSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158589 1225244000 /nfs/dbraw/zinc/24/40/00/1225244000.db2.gz NPBRNGKRQKFOHD-OIISXLGYSA-N 2 2 366.506 0.081 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@@H]1O ZINC001221166353 1225249709 /nfs/dbraw/zinc/24/97/09/1225249709.db2.gz QWEHPHLAYDVQDE-MSOLQXFVSA-N 2 2 358.442 0.904 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@@H]1O ZINC001221166353 1225249712 /nfs/dbraw/zinc/24/97/12/1225249712.db2.gz QWEHPHLAYDVQDE-MSOLQXFVSA-N 2 2 358.442 0.904 20 0 FCADLP C[N@@H+]1CCC12CN(C(=O)C1C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001274709033 1211105895 /nfs/dbraw/zinc/10/58/95/1211105895.db2.gz SBACPUPDGRTLBW-OAHLLOKOSA-N 2 2 364.490 0.844 20 0 FCADLP C[N@H+]1CCC12CN(C(=O)C1C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001274709033 1211105898 /nfs/dbraw/zinc/10/58/98/1211105898.db2.gz SBACPUPDGRTLBW-OAHLLOKOSA-N 2 2 364.490 0.844 20 0 FCADLP CCOC(=O)CCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275305457 1211213023 /nfs/dbraw/zinc/21/30/23/1211213023.db2.gz XIJGKMUDDMWPHJ-UHFFFAOYSA-N 2 2 369.506 0.975 20 0 FCADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275383160 1211227504 /nfs/dbraw/zinc/22/75/04/1211227504.db2.gz NDJWTKKWIXAMBJ-GOSISDBHSA-N 2 2 356.430 0.956 20 0 FCADLP Cc1n[nH]cc1C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275383160 1211227508 /nfs/dbraw/zinc/22/75/08/1211227508.db2.gz NDJWTKKWIXAMBJ-GOSISDBHSA-N 2 2 356.430 0.956 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001275442150 1211238236 /nfs/dbraw/zinc/23/82/36/1211238236.db2.gz CJNLQDFHAZHUSM-SFHVURJKSA-N 2 2 364.446 0.166 20 0 FCADLP COCCOCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001275442150 1211238238 /nfs/dbraw/zinc/23/82/38/1211238238.db2.gz CJNLQDFHAZHUSM-SFHVURJKSA-N 2 2 364.446 0.166 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443291 1211238308 /nfs/dbraw/zinc/23/83/08/1211238308.db2.gz ONQKNWWYCNXZAG-ACJLOTCBSA-N 2 2 362.430 0.249 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275443291 1211238312 /nfs/dbraw/zinc/23/83/12/1211238312.db2.gz ONQKNWWYCNXZAG-ACJLOTCBSA-N 2 2 362.430 0.249 20 0 FCADLP CCN(CC)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH+]ccc1N ZINC001275444436 1211239109 /nfs/dbraw/zinc/23/91/09/1211239109.db2.gz YBODVBATHIMHBW-IAGOWNOFSA-N 2 2 359.474 0.928 20 0 FCADLP CCN(CC)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001275444436 1211239111 /nfs/dbraw/zinc/23/91/11/1211239111.db2.gz YBODVBATHIMHBW-IAGOWNOFSA-N 2 2 359.474 0.928 20 0 FCADLP CN(C)C(=O)CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275455821 1211241923 /nfs/dbraw/zinc/24/19/23/1211241923.db2.gz QEUFCAXCHOXBOK-HNNXBMFYSA-N 2 2 359.474 0.691 20 0 FCADLP CN(C)C(=O)CCNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275455822 1211242133 /nfs/dbraw/zinc/24/21/33/1211242133.db2.gz QEUFCAXCHOXBOK-OAHLLOKOSA-N 2 2 359.474 0.691 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)CC1 ZINC001275556905 1211256423 /nfs/dbraw/zinc/25/64/23/1211256423.db2.gz QBTRLVJAFCRYFQ-LJQANCHMSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)CC1 ZINC001275556905 1211256425 /nfs/dbraw/zinc/25/64/25/1211256425.db2.gz QBTRLVJAFCRYFQ-LJQANCHMSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4c[nH]cn4)C3)C2=O)CC1 ZINC001275733814 1211278033 /nfs/dbraw/zinc/27/80/33/1211278033.db2.gz ROJIHJNISBGENT-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4c[nH]cn4)C3)C2=O)CC1 ZINC001275733814 1211278036 /nfs/dbraw/zinc/27/80/36/1211278036.db2.gz ROJIHJNISBGENT-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2=O)CC1 ZINC001275733814 1211278041 /nfs/dbraw/zinc/27/80/41/1211278041.db2.gz ROJIHJNISBGENT-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2=O)CC1 ZINC001275733814 1211278045 /nfs/dbraw/zinc/27/80/45/1211278045.db2.gz ROJIHJNISBGENT-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001275738038 1211279144 /nfs/dbraw/zinc/27/91/44/1211279144.db2.gz SCGBHINZJISFJA-IBGZPJMESA-N 3 2 361.490 0.471 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001275738038 1211279146 /nfs/dbraw/zinc/27/91/46/1211279146.db2.gz SCGBHINZJISFJA-IBGZPJMESA-N 3 2 361.490 0.471 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275743383 1211280239 /nfs/dbraw/zinc/28/02/39/1211280239.db2.gz QBHCLWPGERYMNL-ZWKOTPCHSA-N 2 2 372.460 0.429 20 0 FCADLP CCNC(=O)CN1C[C@@]2(F)C[N@@H+](CCC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275743383 1211280241 /nfs/dbraw/zinc/28/02/41/1211280241.db2.gz QBHCLWPGERYMNL-ZWKOTPCHSA-N 2 2 372.460 0.429 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCCOC1)C2 ZINC001275743773 1211280339 /nfs/dbraw/zinc/28/03/39/1211280339.db2.gz XLKVFZOKKFJEAK-LPHOPBHVSA-N 2 2 362.474 0.898 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001275743773 1211280340 /nfs/dbraw/zinc/28/03/40/1211280340.db2.gz XLKVFZOKKFJEAK-LPHOPBHVSA-N 2 2 362.474 0.898 20 0 FCADLP COCCOC[N@@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800855 1211285733 /nfs/dbraw/zinc/28/57/33/1211285733.db2.gz IHHQCYJCTCBFCZ-PKOBYXMFSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[N@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800855 1211285735 /nfs/dbraw/zinc/28/57/35/1211285735.db2.gz IHHQCYJCTCBFCZ-PKOBYXMFSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800855 1211285737 /nfs/dbraw/zinc/28/57/37/1211285737.db2.gz IHHQCYJCTCBFCZ-PKOBYXMFSA-N 2 2 369.506 0.378 20 0 FCADLP COCCOC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800855 1211285739 /nfs/dbraw/zinc/28/57/39/1211285739.db2.gz IHHQCYJCTCBFCZ-PKOBYXMFSA-N 2 2 369.506 0.378 20 0 FCADLP CC[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CCn2cc[nH+]c2)CC1 ZINC001275877611 1211303598 /nfs/dbraw/zinc/30/35/98/1211303598.db2.gz DQYMVJIVZXJCNH-UHFFFAOYSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H]1COC3(CCCCC3)O1)C2 ZINC001275881713 1211305693 /nfs/dbraw/zinc/30/56/93/1211305693.db2.gz WRNYIRLIWPDZHN-INIZCTEOSA-N 2 2 367.490 0.537 20 0 FCADLP Nc1nccnc1C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001276049200 1211339937 /nfs/dbraw/zinc/33/99/37/1211339937.db2.gz MICPRDPPNRKFJK-AWEZNQCLSA-N 2 2 355.446 0.674 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531442 1211398147 /nfs/dbraw/zinc/39/81/47/1211398147.db2.gz FHZBBGQXWRTZNM-QZWWFDLISA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001095531442 1211398150 /nfs/dbraw/zinc/39/81/50/1211398150.db2.gz FHZBBGQXWRTZNM-QZWWFDLISA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001095531442 1211398151 /nfs/dbraw/zinc/39/81/51/1211398151.db2.gz FHZBBGQXWRTZNM-QZWWFDLISA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001095531442 1211398154 /nfs/dbraw/zinc/39/81/54/1211398154.db2.gz FHZBBGQXWRTZNM-QZWWFDLISA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)O1 ZINC001095611067 1211426242 /nfs/dbraw/zinc/42/62/42/1211426242.db2.gz BNPKJEOEAYFNSC-UHDSXZAQSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)O1 ZINC001095611067 1211426245 /nfs/dbraw/zinc/42/62/45/1211426245.db2.gz BNPKJEOEAYFNSC-UHDSXZAQSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)O1 ZINC001095611067 1211426246 /nfs/dbraw/zinc/42/62/46/1211426246.db2.gz BNPKJEOEAYFNSC-UHDSXZAQSA-N 2 2 364.490 0.049 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001095645912 1211434558 /nfs/dbraw/zinc/43/45/58/1211434558.db2.gz LJASROBXGSQJMX-MVJTYMMSSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001095645912 1211434561 /nfs/dbraw/zinc/43/45/61/1211434561.db2.gz LJASROBXGSQJMX-MVJTYMMSSA-N 2 2 371.485 0.789 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046938 1211489443 /nfs/dbraw/zinc/48/94/43/1211489443.db2.gz UAHXCIIPTVJJCQ-IRXDYDNUSA-N 2 2 360.458 0.678 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CN3C(=O)N[C@@H](C[NH+](C)C)C3=O)C2)c1 ZINC000925046938 1211489446 /nfs/dbraw/zinc/48/94/46/1211489446.db2.gz UAHXCIIPTVJJCQ-IRXDYDNUSA-N 2 2 360.458 0.678 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000925593452 1211503166 /nfs/dbraw/zinc/50/31/66/1211503166.db2.gz ARYQBFTWFBZLCB-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000925593452 1211503170 /nfs/dbraw/zinc/50/31/70/1211503170.db2.gz ARYQBFTWFBZLCB-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000925598224 1211504106 /nfs/dbraw/zinc/50/41/06/1211504106.db2.gz JYLKBPKEVKCDLH-ROUUACIJSA-N 2 2 368.522 0.851 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1=O ZINC000927091220 1211564286 /nfs/dbraw/zinc/56/42/86/1211564286.db2.gz HPTCEBVECUQERY-OAHLLOKOSA-N 2 2 359.474 0.895 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636849 1211576795 /nfs/dbraw/zinc/57/67/95/1211576795.db2.gz LCYAKPBQBKAESP-KBAYOESNSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927636849 1211576797 /nfs/dbraw/zinc/57/67/97/1211576797.db2.gz LCYAKPBQBKAESP-KBAYOESNSA-N 2 2 366.506 0.744 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1nnc(C)o1 ZINC001221338729 1225300615 /nfs/dbraw/zinc/30/06/15/1225300615.db2.gz VGYFEIWUVTVVDQ-HIFRSBDPSA-N 2 2 356.386 0.885 20 0 FCADLP COc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C)c(C(=O)NC[C@H]2CC[NH+]2C)c1 ZINC000928570580 1211604883 /nfs/dbraw/zinc/60/48/83/1211604883.db2.gz FKVIAWYBPGAWQK-HZPDHXFCSA-N 2 2 374.485 0.492 20 0 FCADLP COc1ccc(CC(=O)NC[C@H]2CC[N@H+]2C)c(C(=O)NC[C@H]2CC[NH+]2C)c1 ZINC000928570580 1211604890 /nfs/dbraw/zinc/60/48/90/1211604890.db2.gz FKVIAWYBPGAWQK-HZPDHXFCSA-N 2 2 374.485 0.492 20 0 FCADLP COc1ccc(CC(=O)NC[C@H]2CC[NH+]2C)c(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000928570580 1211604891 /nfs/dbraw/zinc/60/48/91/1211604891.db2.gz FKVIAWYBPGAWQK-HZPDHXFCSA-N 2 2 374.485 0.492 20 0 FCADLP COc1ccc(CC(=O)NC[C@H]2CC[NH+]2C)c(C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928570580 1211604895 /nfs/dbraw/zinc/60/48/95/1211604895.db2.gz FKVIAWYBPGAWQK-HZPDHXFCSA-N 2 2 374.485 0.492 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000928642966 1211607623 /nfs/dbraw/zinc/60/76/23/1211607623.db2.gz XLFPKELMKMQLCX-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000928642966 1211607624 /nfs/dbraw/zinc/60/76/24/1211607624.db2.gz XLFPKELMKMQLCX-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001110956659 1211615056 /nfs/dbraw/zinc/61/50/56/1211615056.db2.gz SMDAQVZAEHRGNN-DZUCGIPZSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001110956659 1211615057 /nfs/dbraw/zinc/61/50/57/1211615057.db2.gz SMDAQVZAEHRGNN-DZUCGIPZSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001110959726 1211615386 /nfs/dbraw/zinc/61/53/86/1211615386.db2.gz YXWMJTULYRQYLT-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001110959726 1211615388 /nfs/dbraw/zinc/61/53/88/1211615388.db2.gz YXWMJTULYRQYLT-KURKYZTESA-N 2 2 373.501 0.761 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110961696 1211617451 /nfs/dbraw/zinc/61/74/51/1211617451.db2.gz DXDPWHAIZFVFGC-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110961696 1211617452 /nfs/dbraw/zinc/61/74/52/1211617452.db2.gz DXDPWHAIZFVFGC-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000929398256 1211635610 /nfs/dbraw/zinc/63/56/10/1211635610.db2.gz JMJUUTYHUCWSLH-KRWDZBQOSA-N 2 2 358.486 0.760 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000929398256 1211635611 /nfs/dbraw/zinc/63/56/11/1211635611.db2.gz JMJUUTYHUCWSLH-KRWDZBQOSA-N 2 2 358.486 0.760 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000929398256 1211635612 /nfs/dbraw/zinc/63/56/12/1211635612.db2.gz JMJUUTYHUCWSLH-KRWDZBQOSA-N 2 2 358.486 0.760 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000929398256 1211635613 /nfs/dbraw/zinc/63/56/13/1211635613.db2.gz JMJUUTYHUCWSLH-KRWDZBQOSA-N 2 2 358.486 0.760 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000929671816 1211654039 /nfs/dbraw/zinc/65/40/39/1211654039.db2.gz DZKOJEQVCFOWIQ-HNNXBMFYSA-N 2 2 357.462 0.885 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000929671816 1211654041 /nfs/dbraw/zinc/65/40/41/1211654041.db2.gz DZKOJEQVCFOWIQ-HNNXBMFYSA-N 2 2 357.462 0.885 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000929863598 1211665895 /nfs/dbraw/zinc/66/58/95/1211665895.db2.gz NLCPSNRHWJVISA-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000929863598 1211665896 /nfs/dbraw/zinc/66/58/96/1211665896.db2.gz NLCPSNRHWJVISA-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000931663610 1211769836 /nfs/dbraw/zinc/76/98/36/1211769836.db2.gz SZJHGVKXCMSMNB-GOSISDBHSA-N 2 2 358.486 0.753 20 0 FCADLP CCc1noc(COCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578220 1211813570 /nfs/dbraw/zinc/81/35/70/1211813570.db2.gz UTTRKZIFCTZHEL-HNNXBMFYSA-N 2 2 365.478 0.776 20 0 FCADLP CCc1noc(COCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578220 1211813571 /nfs/dbraw/zinc/81/35/71/1211813571.db2.gz UTTRKZIFCTZHEL-HNNXBMFYSA-N 2 2 365.478 0.776 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146882 1211899919 /nfs/dbraw/zinc/89/99/19/1211899919.db2.gz DCAZGYTVXNUAHU-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146882 1211899920 /nfs/dbraw/zinc/89/99/20/1211899920.db2.gz DCAZGYTVXNUAHU-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001111152191 1211901719 /nfs/dbraw/zinc/90/17/19/1211901719.db2.gz RLBJSAAOMJXQRG-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001111152191 1211901722 /nfs/dbraw/zinc/90/17/22/1211901722.db2.gz RLBJSAAOMJXQRG-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000947278549 1212013590 /nfs/dbraw/zinc/01/35/90/1212013590.db2.gz CPQDJMULFWPHBK-HZPDHXFCSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000947278549 1212013595 /nfs/dbraw/zinc/01/35/95/1212013595.db2.gz CPQDJMULFWPHBK-HZPDHXFCSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155631 1212045346 /nfs/dbraw/zinc/04/53/46/1212045346.db2.gz ZKKJTMUTXCXNDG-BFYDXBDKSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155631 1212045351 /nfs/dbraw/zinc/04/53/51/1212045351.db2.gz ZKKJTMUTXCXNDG-BFYDXBDKSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155631 1212045358 /nfs/dbraw/zinc/04/53/58/1212045358.db2.gz ZKKJTMUTXCXNDG-BFYDXBDKSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3cnn(C)n3)C2)O1 ZINC001017155631 1212045363 /nfs/dbraw/zinc/04/53/63/1212045363.db2.gz ZKKJTMUTXCXNDG-BFYDXBDKSA-N 2 2 364.494 0.205 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001017155628 1212045416 /nfs/dbraw/zinc/04/54/16/1212045416.db2.gz ZJYRVMNRTCDRJT-UKPHBRMFSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001017155628 1212045421 /nfs/dbraw/zinc/04/54/21/1212045421.db2.gz ZJYRVMNRTCDRJT-UKPHBRMFSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001017155628 1212045422 /nfs/dbraw/zinc/04/54/22/1212045422.db2.gz ZJYRVMNRTCDRJT-UKPHBRMFSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001017155628 1212045430 /nfs/dbraw/zinc/04/54/30/1212045430.db2.gz ZJYRVMNRTCDRJT-UKPHBRMFSA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001017155625 1212045597 /nfs/dbraw/zinc/04/55/97/1212045597.db2.gz ZJYRVMNRTCDRJT-FRFSOERESA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001017155625 1212045607 /nfs/dbraw/zinc/04/56/07/1212045607.db2.gz ZJYRVMNRTCDRJT-FRFSOERESA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001017155625 1212045614 /nfs/dbraw/zinc/04/56/14/1212045614.db2.gz ZJYRVMNRTCDRJT-FRFSOERESA-N 2 2 365.478 0.768 20 0 FCADLP Cc1nonc1C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001017155625 1212045620 /nfs/dbraw/zinc/04/56/20/1212045620.db2.gz ZJYRVMNRTCDRJT-FRFSOERESA-N 2 2 365.478 0.768 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC000948467055 1212184946 /nfs/dbraw/zinc/18/49/46/1212184946.db2.gz NSSGUHIXIQXZSI-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC000948467055 1212184949 /nfs/dbraw/zinc/18/49/49/1212184949.db2.gz NSSGUHIXIQXZSI-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948638887 1212214037 /nfs/dbraw/zinc/21/40/37/1212214037.db2.gz JDIGNUXMFMLVON-KURKYZTESA-N 2 2 369.506 0.171 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948638887 1212214044 /nfs/dbraw/zinc/21/40/44/1212214044.db2.gz JDIGNUXMFMLVON-KURKYZTESA-N 2 2 369.506 0.171 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)NCC1CCC1 ZINC001111281424 1212233455 /nfs/dbraw/zinc/23/34/55/1212233455.db2.gz RMBNSZLMUFYBHP-ZACQAIPSSA-N 2 2 360.502 0.720 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)NCC1CCC1 ZINC001111281424 1212233457 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/nfs/dbraw/zinc/07/54/57/1214075457.db2.gz ZZCDALJVFWIOSP-OWCLPIDISA-N 2 2 363.510 0.611 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3nnnn3C)C2)CC[NH+]1C ZINC001017131184 1214075462 /nfs/dbraw/zinc/07/54/62/1214075462.db2.gz ZZCDALJVFWIOSP-OWCLPIDISA-N 2 2 363.510 0.611 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001017131183 1214075533 /nfs/dbraw/zinc/07/55/33/1214075533.db2.gz ZZCDALJVFWIOSP-HRCADAONSA-N 2 2 363.510 0.611 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nnnn3C)C2)CC[N@H+]1C ZINC001017131183 1214075537 /nfs/dbraw/zinc/07/55/37/1214075537.db2.gz ZZCDALJVFWIOSP-HRCADAONSA-N 2 2 363.510 0.611 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3nnnn3C)C2)CC[NH+]1C ZINC001017131183 1214075542 /nfs/dbraw/zinc/07/55/42/1214075542.db2.gz ZZCDALJVFWIOSP-HRCADAONSA-N 2 2 363.510 0.611 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3nnnn3C)C2)CC[NH+]1C ZINC001017131183 1214075546 /nfs/dbraw/zinc/07/55/46/1214075546.db2.gz ZZCDALJVFWIOSP-HRCADAONSA-N 2 2 363.510 0.611 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC[N@@H+]1C ZINC001017487287 1214102262 /nfs/dbraw/zinc/10/22/62/1214102262.db2.gz LILRSOAVBYCNOU-GDBMZVCRSA-N 2 2 359.474 0.957 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC[N@H+]1C ZINC001017487287 1214102269 /nfs/dbraw/zinc/10/22/69/1214102269.db2.gz LILRSOAVBYCNOU-GDBMZVCRSA-N 2 2 359.474 0.957 20 0 FCADLP O=C(NCC1=CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001017543168 1214112540 /nfs/dbraw/zinc/11/25/40/1214112540.db2.gz XIDPNDRJYYMSKE-HZPDHXFCSA-N 2 2 369.469 0.884 20 0 FCADLP O=C(NCC1=CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001017543168 1214112546 /nfs/dbraw/zinc/11/25/46/1214112546.db2.gz XIDPNDRJYYMSKE-HZPDHXFCSA-N 2 2 369.469 0.884 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001017546950 1214115761 /nfs/dbraw/zinc/11/57/61/1214115761.db2.gz YZTZLZSOPASGAA-ARFHVFGLSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001017546950 1214115767 /nfs/dbraw/zinc/11/57/67/1214115767.db2.gz YZTZLZSOPASGAA-ARFHVFGLSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001017546950 1214115771 /nfs/dbraw/zinc/11/57/71/1214115771.db2.gz YZTZLZSOPASGAA-ARFHVFGLSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001017546950 1214115775 /nfs/dbraw/zinc/11/57/75/1214115775.db2.gz YZTZLZSOPASGAA-ARFHVFGLSA-N 2 2 357.458 0.740 20 0 FCADLP CC1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001018994222 1214176551 /nfs/dbraw/zinc/17/65/51/1214176551.db2.gz LMARAIFKNSVFMZ-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001019040677 1214183191 /nfs/dbraw/zinc/18/31/91/1214183191.db2.gz KNQOBPHNZNXBIQ-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961599507 1214239124 /nfs/dbraw/zinc/23/91/24/1214239124.db2.gz KZXOLVAMMALKIV-AALSBFMBSA-N 2 2 357.458 0.382 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961599507 1214239129 /nfs/dbraw/zinc/23/91/29/1214239129.db2.gz KZXOLVAMMALKIV-AALSBFMBSA-N 2 2 357.458 0.382 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000961599507 1214239133 /nfs/dbraw/zinc/23/91/33/1214239133.db2.gz KZXOLVAMMALKIV-AALSBFMBSA-N 2 2 357.458 0.382 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000961599507 1214239137 /nfs/dbraw/zinc/23/91/37/1214239137.db2.gz KZXOLVAMMALKIV-AALSBFMBSA-N 2 2 357.458 0.382 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC001019455131 1214249462 /nfs/dbraw/zinc/24/94/62/1214249462.db2.gz HLBIJAYCVJVHBI-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001019455145 1214249681 /nfs/dbraw/zinc/24/96/81/1214249681.db2.gz HYPXANZXCKUGQX-BZUAXINKSA-N 2 2 371.485 0.536 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001019455145 1214249686 /nfs/dbraw/zinc/24/96/86/1214249686.db2.gz HYPXANZXCKUGQX-BZUAXINKSA-N 2 2 371.485 0.536 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc4c3COCC4)C2)O1 ZINC001020286722 1214327774 /nfs/dbraw/zinc/32/77/74/1214327774.db2.gz KPIJHRCRSXQLQK-HPTBWKMGSA-N 2 2 364.446 0.203 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc4c3COCC4)C2)O1 ZINC001020286722 1214327783 /nfs/dbraw/zinc/32/77/83/1214327783.db2.gz KPIJHRCRSXQLQK-HPTBWKMGSA-N 2 2 364.446 0.203 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCN1CCCC1=O ZINC001038716599 1214366951 /nfs/dbraw/zinc/36/69/51/1214366951.db2.gz NVAKKNANZXHJLS-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001038716599 1214366955 /nfs/dbraw/zinc/36/69/55/1214366955.db2.gz NVAKKNANZXHJLS-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039606699 1214406068 /nfs/dbraw/zinc/40/60/68/1214406068.db2.gz KVQZUSZMIGQNDL-CABCVRRESA-N 2 2 356.434 0.336 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095916153 1214412829 /nfs/dbraw/zinc/41/28/29/1214412829.db2.gz VMKKNVDIOXBOCB-LTIDMASMSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095916153 1214412835 /nfs/dbraw/zinc/41/28/35/1214412835.db2.gz VMKKNVDIOXBOCB-LTIDMASMSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001095916153 1214412838 /nfs/dbraw/zinc/41/28/38/1214412838.db2.gz VMKKNVDIOXBOCB-LTIDMASMSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001095916153 1214412847 /nfs/dbraw/zinc/41/28/47/1214412847.db2.gz VMKKNVDIOXBOCB-LTIDMASMSA-N 2 2 364.490 0.049 20 0 FCADLP C[N@@H+]1CCc2ncnc(N3C[C@@H]4CCN(C(=O)C[NH+]5CCCC5)[C@@H]4C3)c2C1 ZINC001040639455 1214548694 /nfs/dbraw/zinc/54/86/94/1214548694.db2.gz BAJUBPPSFORBML-MAUKXSAKSA-N 2 2 370.501 0.597 20 0 FCADLP C[N@H+]1CCc2ncnc(N3C[C@@H]4CCN(C(=O)C[NH+]5CCCC5)[C@@H]4C3)c2C1 ZINC001040639455 1214548701 /nfs/dbraw/zinc/54/87/01/1214548701.db2.gz BAJUBPPSFORBML-MAUKXSAKSA-N 2 2 370.501 0.597 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001040675541 1214561074 /nfs/dbraw/zinc/56/10/74/1214561074.db2.gz HKBZTWMHVIEQFT-DZGCQCFKSA-N 2 2 367.457 0.496 20 0 FCADLP Cc1nc(N2C[C@@H]3CCN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)cc[nH+]1 ZINC001040691697 1214564700 /nfs/dbraw/zinc/56/47/00/1214564700.db2.gz PGIGHSSRRMOMME-DOTOQJQBSA-N 2 2 359.474 0.933 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952208 1225550209 /nfs/dbraw/zinc/55/02/09/1225550209.db2.gz SDPMUMASPLXARX-RHSMWYFYSA-N 2 2 359.474 0.819 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952208 1225550214 /nfs/dbraw/zinc/55/02/14/1225550214.db2.gz SDPMUMASPLXARX-RHSMWYFYSA-N 2 2 359.474 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC[N@@H+]1C ZINC000963773950 1214848940 /nfs/dbraw/zinc/84/89/40/1214848940.db2.gz VYFQEUOPCMMBPX-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC[N@H+]1C ZINC000963773950 1214848942 /nfs/dbraw/zinc/84/89/42/1214848942.db2.gz VYFQEUOPCMMBPX-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000963815672 1214856625 /nfs/dbraw/zinc/85/66/25/1214856625.db2.gz KBFUCOHEITZUHC-MQXRDVEGSA-N 2 2 371.485 0.656 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@@H+]1C ZINC000963822009 1214858993 /nfs/dbraw/zinc/85/89/93/1214858993.db2.gz SMWCWPMINNTGGT-QKPAOTATSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)CC[N@H+]1C ZINC000963822009 1214858997 /nfs/dbraw/zinc/85/89/97/1214858997.db2.gz SMWCWPMINNTGGT-QKPAOTATSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@@H+]1C ZINC000963861524 1214865071 /nfs/dbraw/zinc/86/50/71/1214865071.db2.gz NEYPYOIJRSRMQR-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)CC[N@H+]1C ZINC000963861524 1214865072 /nfs/dbraw/zinc/86/50/72/1214865072.db2.gz NEYPYOIJRSRMQR-YALNPMBYSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)Cn2cc[nH+]c2)CC3)CC[N@@H+]1C ZINC000963925586 1214875931 /nfs/dbraw/zinc/87/59/31/1214875931.db2.gz RDHVABMQTZLCLJ-BZUAXINKSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC23CCN(C(=O)Cn2cc[nH+]c2)CC3)CC[N@H+]1C ZINC000963925586 1214875933 /nfs/dbraw/zinc/87/59/33/1214875933.db2.gz RDHVABMQTZLCLJ-BZUAXINKSA-N 2 2 359.474 0.721 20 0 FCADLP CN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)C1=O ZINC000964016597 1214887160 /nfs/dbraw/zinc/88/71/60/1214887160.db2.gz MQIKJERCRDKFIU-BCEGUSRUSA-N 2 2 357.458 0.761 20 0 FCADLP CN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C3)C2)C1=O ZINC000964016597 1214887162 /nfs/dbraw/zinc/88/71/62/1214887162.db2.gz MQIKJERCRDKFIU-BCEGUSRUSA-N 2 2 357.458 0.761 20 0 FCADLP O=C(NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000964016579 1214887167 /nfs/dbraw/zinc/88/71/67/1214887167.db2.gz LUJOMFBAYMPDKQ-VIGHMNKUSA-N 2 2 371.441 0.335 20 0 FCADLP O=C(NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000964016579 1214887169 /nfs/dbraw/zinc/88/71/69/1214887169.db2.gz LUJOMFBAYMPDKQ-VIGHMNKUSA-N 2 2 371.441 0.335 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221979382 1225560547 /nfs/dbraw/zinc/56/05/47/1225560547.db2.gz AEMGLEDAVCMKQG-SOLBZPMBSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221979382 1225560552 /nfs/dbraw/zinc/56/05/52/1225560552.db2.gz AEMGLEDAVCMKQG-SOLBZPMBSA-N 2 2 362.474 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC000965037751 1215017707 /nfs/dbraw/zinc/01/77/07/1215017707.db2.gz ZJLWEFDOAQEARE-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC000965037751 1215017710 /nfs/dbraw/zinc/01/77/10/1215017710.db2.gz ZJLWEFDOAQEARE-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP Cn1cc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C3)C2)nn1 ZINC000965160596 1215026450 /nfs/dbraw/zinc/02/64/50/1215026450.db2.gz LGKDTBVCVDFAFN-AMUHYVEISA-N 2 2 369.473 0.869 20 0 FCADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000967979771 1215267984 /nfs/dbraw/zinc/26/79/84/1215267984.db2.gz RDNIZVQUYUEUIA-NUEKZKHPSA-N 2 2 359.474 0.535 20 0 FCADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000967979771 1215267986 /nfs/dbraw/zinc/26/79/86/1215267986.db2.gz RDNIZVQUYUEUIA-NUEKZKHPSA-N 2 2 359.474 0.535 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000967979770 1215268106 /nfs/dbraw/zinc/26/81/06/1215268106.db2.gz RDNIZVQUYUEUIA-FVQBIDKESA-N 2 2 359.474 0.535 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000967979770 1215268109 /nfs/dbraw/zinc/26/81/09/1215268109.db2.gz RDNIZVQUYUEUIA-FVQBIDKESA-N 2 2 359.474 0.535 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222093469 1225598008 /nfs/dbraw/zinc/59/80/08/1225598008.db2.gz CATHDHFPIOULNR-IAGOWNOFSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001222093469 1225598012 /nfs/dbraw/zinc/59/80/12/1225598012.db2.gz CATHDHFPIOULNR-IAGOWNOFSA-N 2 2 359.474 0.722 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001000470297 1216066002 /nfs/dbraw/zinc/06/60/02/1216066002.db2.gz WMERBQPMNHUVBK-YVVXQTMVSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001000470297 1216066010 /nfs/dbraw/zinc/06/60/10/1216066010.db2.gz WMERBQPMNHUVBK-YVVXQTMVSA-N 2 2 359.474 0.993 20 0 FCADLP CN1CC2(C[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)OCC1=O ZINC001276844395 1225658498 /nfs/dbraw/zinc/65/84/98/1225658498.db2.gz ODZSLIFVSQMQLR-UHFFFAOYSA-N 2 2 359.470 0.557 20 0 FCADLP 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C[NH+]1CCN(c2ncc(C[NH+]3CCC(N4CCOC4=O)CC3)cn2)CC1 ZINC000827741581 1216645865 /nfs/dbraw/zinc/64/58/65/1216645865.db2.gz VQVBNLQYBCDNEB-UHFFFAOYSA-N 2 2 360.462 0.645 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001098096710 1216793889 /nfs/dbraw/zinc/79/38/89/1216793889.db2.gz BXZRFGNKMANXHU-WCVJEAGWSA-N 2 2 362.474 0.245 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001098096710 1216793895 /nfs/dbraw/zinc/79/38/95/1216793895.db2.gz BXZRFGNKMANXHU-WCVJEAGWSA-N 2 2 362.474 0.245 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001069980237 1216881730 /nfs/dbraw/zinc/88/17/30/1216881730.db2.gz JQZIAIPWVKRYJJ-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001069980237 1216881732 /nfs/dbraw/zinc/88/17/32/1216881732.db2.gz JQZIAIPWVKRYJJ-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001070026996 1216905992 /nfs/dbraw/zinc/90/59/92/1216905992.db2.gz MWACSNOXQNSPMW-KONPQCLYSA-N 2 2 369.473 0.957 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1 ZINC001070026996 1216905995 /nfs/dbraw/zinc/90/59/95/1216905995.db2.gz MWACSNOXQNSPMW-KONPQCLYSA-N 2 2 369.473 0.957 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223430703 1225705431 /nfs/dbraw/zinc/70/54/31/1225705431.db2.gz PAXVNDFNLVSDSL-CVEARBPZSA-N 2 2 360.506 0.989 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)[C@H]2C1 ZINC001223430703 1225705438 /nfs/dbraw/zinc/70/54/38/1225705438.db2.gz PAXVNDFNLVSDSL-CVEARBPZSA-N 2 2 360.506 0.989 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnnn3C(C)(C)C)[C@H]2C1 ZINC001223430486 1225706172 /nfs/dbraw/zinc/70/61/72/1225706172.db2.gz LNDRLVCYYLPUQR-CABCVRRESA-N 2 2 363.510 0.803 20 0 FCADLP 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C[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001045511239 1217935500 /nfs/dbraw/zinc/93/55/00/1217935500.db2.gz HJEJYGIINRHHAO-BBWFWOEESA-N 2 2 369.506 0.218 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH+](CC(=O)NC2CC2)CC1 ZINC001045563460 1217941600 /nfs/dbraw/zinc/94/16/00/1217941600.db2.gz GKHLKRWJTDOAQH-HUUCEWRRSA-N 2 2 359.474 0.773 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001045781097 1217953188 /nfs/dbraw/zinc/95/31/88/1217953188.db2.gz WBHANXLAQPUKEN-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001045781097 1217953193 /nfs/dbraw/zinc/95/31/93/1217953193.db2.gz WBHANXLAQPUKEN-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001045781097 1217953197 /nfs/dbraw/zinc/95/31/97/1217953197.db2.gz WBHANXLAQPUKEN-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001045781097 1217953200 /nfs/dbraw/zinc/95/32/00/1217953200.db2.gz WBHANXLAQPUKEN-APIJFGDWSA-N 2 2 362.478 0.014 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCN2CC[NH+](CC)CC2)C1 ZINC000900193104 1217970205 /nfs/dbraw/zinc/97/02/05/1217970205.db2.gz ZRULFUSDSBBKKG-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCN2CC[NH+](CC)CC2)C1 ZINC000900193104 1217970209 /nfs/dbraw/zinc/97/02/09/1217970209.db2.gz ZRULFUSDSBBKKG-KRWDZBQOSA-N 2 2 368.522 0.405 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)c2)CCO1 ZINC000900368763 1217983187 /nfs/dbraw/zinc/98/31/87/1217983187.db2.gz MDKCYJYOKOIEAQ-MOXGXCLJSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)c2)CCO1 ZINC000900368763 1217983197 /nfs/dbraw/zinc/98/31/97/1217983197.db2.gz MDKCYJYOKOIEAQ-MOXGXCLJSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)c2)CCO1 ZINC000900368763 1217983199 /nfs/dbraw/zinc/98/31/99/1217983199.db2.gz MDKCYJYOKOIEAQ-MOXGXCLJSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)c2)CCO1 ZINC000900368763 1217983202 /nfs/dbraw/zinc/98/32/02/1217983202.db2.gz MDKCYJYOKOIEAQ-MOXGXCLJSA-N 2 2 361.486 0.979 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046062433 1217991910 /nfs/dbraw/zinc/99/19/10/1217991910.db2.gz GWKGRTYIZJCZHY-BRWVUGGUSA-N 2 2 361.490 0.125 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046062433 1217991913 /nfs/dbraw/zinc/99/19/13/1217991913.db2.gz GWKGRTYIZJCZHY-BRWVUGGUSA-N 2 2 361.490 0.125 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000900647064 1218017659 /nfs/dbraw/zinc/01/76/59/1218017659.db2.gz MHZOPKNUFAPPJB-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000900647064 1218017667 /nfs/dbraw/zinc/01/76/67/1218017667.db2.gz MHZOPKNUFAPPJB-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000900647064 1218017673 /nfs/dbraw/zinc/01/76/73/1218017673.db2.gz MHZOPKNUFAPPJB-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000900647064 1218017679 /nfs/dbraw/zinc/01/76/79/1218017679.db2.gz MHZOPKNUFAPPJB-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP C[C@@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000900693457 1218024965 /nfs/dbraw/zinc/02/49/65/1218024965.db2.gz SQRZCAGQKBRPEB-VIQWUECVSA-N 2 2 366.550 0.877 20 0 FCADLP Cn1nccc1[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800859490 1218028766 /nfs/dbraw/zinc/02/87/66/1218028766.db2.gz JSDAKECKRXAXIU-AWEZNQCLSA-N 2 2 360.462 0.573 20 0 FCADLP Cn1nccc1[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000800859490 1218028772 /nfs/dbraw/zinc/02/87/72/1218028772.db2.gz JSDAKECKRXAXIU-AWEZNQCLSA-N 2 2 360.462 0.573 20 0 FCADLP COc1ncccc1C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420170 1218035210 /nfs/dbraw/zinc/03/52/10/1218035210.db2.gz CRPXLJKURVMZSY-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420170 1218035215 /nfs/dbraw/zinc/03/52/15/1218035215.db2.gz CRPXLJKURVMZSY-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046420170 1218035220 /nfs/dbraw/zinc/03/52/20/1218035220.db2.gz CRPXLJKURVMZSY-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046420170 1218035226 /nfs/dbraw/zinc/03/52/26/1218035226.db2.gz CRPXLJKURVMZSY-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420848 1218035549 /nfs/dbraw/zinc/03/55/49/1218035549.db2.gz LUBBECDOVPGTEP-MZMPZRCHSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420848 1218035553 /nfs/dbraw/zinc/03/55/53/1218035553.db2.gz LUBBECDOVPGTEP-MZMPZRCHSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046420848 1218035555 /nfs/dbraw/zinc/03/55/55/1218035555.db2.gz LUBBECDOVPGTEP-MZMPZRCHSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046420848 1218035557 /nfs/dbraw/zinc/03/55/57/1218035557.db2.gz LUBBECDOVPGTEP-MZMPZRCHSA-N 2 2 364.494 0.406 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276982552 1225785941 /nfs/dbraw/zinc/78/59/41/1225785941.db2.gz WCYYGYKERYENMC-LJQANCHMSA-N 2 2 353.426 0.656 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276982552 1225785943 /nfs/dbraw/zinc/78/59/43/1225785943.db2.gz WCYYGYKERYENMC-LJQANCHMSA-N 2 2 353.426 0.656 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cncc(F)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386178 1218138041 /nfs/dbraw/zinc/13/80/41/1218138041.db2.gz NJRDZDPRHPRGON-MHORFTMASA-N 2 2 364.465 0.955 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cncc(F)c3)C[C@@H]2O)CC[N@H+]1C ZINC001047386178 1218138045 /nfs/dbraw/zinc/13/80/45/1218138045.db2.gz NJRDZDPRHPRGON-MHORFTMASA-N 2 2 364.465 0.955 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cncc(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001047386178 1218138050 /nfs/dbraw/zinc/13/80/50/1218138050.db2.gz NJRDZDPRHPRGON-MHORFTMASA-N 2 2 364.465 0.955 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cncc(F)c3)C[C@@H]2O)CC[NH+]1C ZINC001047386178 1218138056 /nfs/dbraw/zinc/13/80/56/1218138056.db2.gz NJRDZDPRHPRGON-MHORFTMASA-N 2 2 364.465 0.955 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386461 1218138801 /nfs/dbraw/zinc/13/88/01/1218138801.db2.gz ULMSQTXEIHLHJS-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]2O)CC[N@H+]1C ZINC001047386461 1218138805 /nfs/dbraw/zinc/13/88/05/1218138805.db2.gz ULMSQTXEIHLHJS-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cc(C)ncn3)C[C@@H]2O)CC[NH+]1C ZINC001047386461 1218138807 /nfs/dbraw/zinc/13/88/07/1218138807.db2.gz ULMSQTXEIHLHJS-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@H]2O)CC[NH+]1C ZINC001047386461 1218138811 /nfs/dbraw/zinc/13/88/11/1218138811.db2.gz ULMSQTXEIHLHJS-MHORFTMASA-N 2 2 361.490 0.519 20 0 FCADLP Cc1cncc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001047426766 1218142486 /nfs/dbraw/zinc/14/24/86/1218142486.db2.gz IRTDCGBSMPTJFQ-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1cncc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001047426766 1218142489 /nfs/dbraw/zinc/14/24/89/1218142489.db2.gz IRTDCGBSMPTJFQ-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001047426766 1218142490 /nfs/dbraw/zinc/14/24/90/1218142490.db2.gz IRTDCGBSMPTJFQ-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001047426766 1218142493 /nfs/dbraw/zinc/14/24/93/1218142493.db2.gz IRTDCGBSMPTJFQ-LAVFITLUSA-N 2 2 362.474 0.113 20 0 FCADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1=O ZINC000902205418 1218224925 /nfs/dbraw/zinc/22/49/25/1218224925.db2.gz YZPJEULGJJOKDZ-YOEHRIQHSA-N 2 2 364.490 0.334 20 0 FCADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1=O ZINC000902205418 1218224931 /nfs/dbraw/zinc/22/49/31/1218224931.db2.gz YZPJEULGJJOKDZ-YOEHRIQHSA-N 2 2 364.490 0.334 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1c1[nH+]cnc2c1cnn2C ZINC001048586804 1218293170 /nfs/dbraw/zinc/29/31/70/1218293170.db2.gz CJYQXWVJGMNKDX-RRFJBIMHSA-N 2 2 357.462 0.931 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1[nH+]cnc2c1cnn2C ZINC001048586804 1218293174 /nfs/dbraw/zinc/29/31/74/1218293174.db2.gz CJYQXWVJGMNKDX-RRFJBIMHSA-N 2 2 357.462 0.931 20 0 FCADLP Cc1nnc([C@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048892019 1218336383 /nfs/dbraw/zinc/33/63/83/1218336383.db2.gz ZFFYIGGYTHCYLV-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048892019 1218336388 /nfs/dbraw/zinc/33/63/88/1218336388.db2.gz ZFFYIGGYTHCYLV-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1nnc([C@H](C)[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048892019 1218336393 /nfs/dbraw/zinc/33/63/93/1218336393.db2.gz ZFFYIGGYTHCYLV-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1nnc([C@H](C)[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)o1 ZINC001048892019 1218336397 /nfs/dbraw/zinc/33/63/97/1218336397.db2.gz ZFFYIGGYTHCYLV-XHXGSEDSSA-N 2 2 363.462 0.548 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550065 1218487512 /nfs/dbraw/zinc/48/75/12/1218487512.db2.gz VWJAYSSDJLLZDJ-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550065 1218487515 /nfs/dbraw/zinc/48/75/15/1218487515.db2.gz VWJAYSSDJLLZDJ-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cnn(C)c2)O1 ZINC001049550065 1218487520 /nfs/dbraw/zinc/48/75/20/1218487520.db2.gz VWJAYSSDJLLZDJ-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)O1 ZINC001049550065 1218487528 /nfs/dbraw/zinc/48/75/28/1218487528.db2.gz VWJAYSSDJLLZDJ-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903782923 1218525176 /nfs/dbraw/zinc/52/51/76/1218525176.db2.gz UICVIJXZMYCWJZ-KRWDZBQOSA-N 3 2 364.534 0.951 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001096914208 1218639858 /nfs/dbraw/zinc/63/98/58/1218639858.db2.gz KWIMFFITDGGDOL-AKHDSKFASA-N 2 2 359.470 0.731 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001096914208 1218639861 /nfs/dbraw/zinc/63/98/61/1218639861.db2.gz KWIMFFITDGGDOL-AKHDSKFASA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CO)cc2)C1 ZINC001096914208 1218639867 /nfs/dbraw/zinc/63/98/67/1218639867.db2.gz KWIMFFITDGGDOL-AKHDSKFASA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(CO)cc2)C1 ZINC001096914208 1218639871 /nfs/dbraw/zinc/63/98/71/1218639871.db2.gz KWIMFFITDGGDOL-AKHDSKFASA-N 2 2 359.470 0.731 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226347724 1225841019 /nfs/dbraw/zinc/84/10/19/1225841019.db2.gz CGTRAXAXLICWNO-HZPDHXFCSA-N 2 2 361.490 0.867 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001097363328 1218798282 /nfs/dbraw/zinc/79/82/82/1218798282.db2.gz MHNILTQBAVZQPP-SRABZTEZSA-N 2 2 372.473 0.192 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001097363328 1218798293 /nfs/dbraw/zinc/79/82/93/1218798293.db2.gz MHNILTQBAVZQPP-SRABZTEZSA-N 2 2 372.473 0.192 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)n1 ZINC001097553355 1218817997 /nfs/dbraw/zinc/81/79/97/1218817997.db2.gz WVFWWOJTQMQTIE-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]cc2C)C3)n1 ZINC001097553355 1218817999 /nfs/dbraw/zinc/81/79/99/1218817999.db2.gz WVFWWOJTQMQTIE-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097713400 1218839939 /nfs/dbraw/zinc/83/99/39/1218839939.db2.gz VMKKNVDIOXBOCB-WCXIOVBPSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001097713400 1218839941 /nfs/dbraw/zinc/83/99/41/1218839941.db2.gz VMKKNVDIOXBOCB-WCXIOVBPSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001097713400 1218839942 /nfs/dbraw/zinc/83/99/42/1218839942.db2.gz VMKKNVDIOXBOCB-WCXIOVBPSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001097713400 1218839943 /nfs/dbraw/zinc/83/99/43/1218839943.db2.gz VMKKNVDIOXBOCB-WCXIOVBPSA-N 2 2 364.490 0.049 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1)[NH+](C)C ZINC001052741647 1218863145 /nfs/dbraw/zinc/86/31/45/1218863145.db2.gz WGZDMVYTBLFSTN-KFWWJZLASA-N 2 2 357.462 0.957 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001097878967 1218869278 /nfs/dbraw/zinc/86/92/78/1218869278.db2.gz VMUHJFKAUCPPJP-QCODTGAPSA-N 2 2 355.446 0.537 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001097878967 1218869280 /nfs/dbraw/zinc/86/92/80/1218869280.db2.gz VMUHJFKAUCPPJP-QCODTGAPSA-N 2 2 355.446 0.537 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)[nH+]1 ZINC001053652898 1218889604 /nfs/dbraw/zinc/88/96/04/1218889604.db2.gz BIWWETAUQIQBON-YUELXQCFSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)[nH+]1 ZINC001053652898 1218889605 /nfs/dbraw/zinc/88/96/05/1218889605.db2.gz BIWWETAUQIQBON-YUELXQCFSA-N 2 2 361.494 0.847 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@@H+]1C ZINC001054134802 1218898973 /nfs/dbraw/zinc/89/89/73/1218898973.db2.gz NXXQSTOYAFARTG-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@H+]1C ZINC001054134802 1218898975 /nfs/dbraw/zinc/89/89/75/1218898975.db2.gz NXXQSTOYAFARTG-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001054134802 1218898977 /nfs/dbraw/zinc/89/89/77/1218898977.db2.gz NXXQSTOYAFARTG-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001054134802 1218898978 /nfs/dbraw/zinc/89/89/78/1218898978.db2.gz NXXQSTOYAFARTG-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001054427372 1218923078 /nfs/dbraw/zinc/92/30/78/1218923078.db2.gz IENVDEVASYLAMK-ZIAGYGMSSA-N 2 2 369.473 0.966 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001055034195 1218979715 /nfs/dbraw/zinc/97/97/15/1218979715.db2.gz GNMKBYJSGCCKGQ-UXOAXIEHSA-N 2 2 355.446 0.541 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001055034195 1218979718 /nfs/dbraw/zinc/97/97/18/1218979718.db2.gz GNMKBYJSGCCKGQ-UXOAXIEHSA-N 2 2 355.446 0.541 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1)NC1CC1 ZINC001227164442 1225864952 /nfs/dbraw/zinc/86/49/52/1225864952.db2.gz BVAADZZHAAKZOR-FVQBIDKESA-N 2 2 359.474 0.741 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3CCC3)CC2)O1 ZINC001055490284 1219059086 /nfs/dbraw/zinc/05/90/86/1219059086.db2.gz LKWMWDVMBYUJEF-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCNC(=O)C3CCC3)CC2)O1 ZINC001055490284 1219059089 /nfs/dbraw/zinc/05/90/89/1219059089.db2.gz LKWMWDVMBYUJEF-RHSMWYFYSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227128659 1225864175 /nfs/dbraw/zinc/86/41/75/1225864175.db2.gz VVMLKRXCSDQTFG-USXIJHARSA-N 2 2 361.490 0.987 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075721 1219143422 /nfs/dbraw/zinc/14/34/22/1219143422.db2.gz BIJBLUIZGRNIOG-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075721 1219143429 /nfs/dbraw/zinc/14/34/29/1219143429.db2.gz BIJBLUIZGRNIOG-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075721 1219143433 /nfs/dbraw/zinc/14/34/33/1219143433.db2.gz BIJBLUIZGRNIOG-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)C1 ZINC001070075721 1219143442 /nfs/dbraw/zinc/14/34/42/1219143442.db2.gz BIJBLUIZGRNIOG-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1n1ccnn1 ZINC001070084534 1219153281 /nfs/dbraw/zinc/15/32/81/1219153281.db2.gz IDDRWHQERUDSRJ-BLMDWJLWSA-N 2 2 357.462 0.940 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)C[C@@H]1n1ccnn1 ZINC001070084534 1219153284 /nfs/dbraw/zinc/15/32/84/1219153284.db2.gz IDDRWHQERUDSRJ-BLMDWJLWSA-N 2 2 357.462 0.940 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NCc3ccco3)CC2)CC[N@@H+]1C ZINC001227443930 1225874924 /nfs/dbraw/zinc/87/49/24/1225874924.db2.gz MILKWTXFCUXUPZ-RHSMWYFYSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)NCc3ccco3)CC2)CC[N@H+]1C ZINC001227443930 1225874925 /nfs/dbraw/zinc/87/49/25/1225874925.db2.gz MILKWTXFCUXUPZ-RHSMWYFYSA-N 2 2 362.474 0.817 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070185473 1219278536 /nfs/dbraw/zinc/27/85/36/1219278536.db2.gz XPAQSSULVGYKAS-CVEARBPZSA-N 2 2 366.429 0.571 20 0 FCADLP CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2[nH+]ccn2C)C1=O ZINC001227681097 1225881921 /nfs/dbraw/zinc/88/19/21/1225881921.db2.gz QBMIKFWYCNBQFQ-OAGGEKHMSA-N 2 2 361.490 0.991 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2([NH+](C)C)CCCC2)n1 ZINC001227742081 1225883749 /nfs/dbraw/zinc/88/37/49/1225883749.db2.gz KNXIBJRLDOABHU-HUUCEWRRSA-N 2 2 363.510 0.992 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276978 1219344242 /nfs/dbraw/zinc/34/42/42/1219344242.db2.gz CCTHUWIGKLXLBF-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070282501 1219347117 /nfs/dbraw/zinc/34/71/17/1219347117.db2.gz JKOZNFPXPIAUGI-KONPQCLYSA-N 2 2 369.473 0.957 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070283143 1219347624 /nfs/dbraw/zinc/34/76/24/1219347624.db2.gz ZTTVGAVOWMZEGL-ANQUJSFKSA-N 2 2 357.462 0.813 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070312449 1219369626 /nfs/dbraw/zinc/36/96/26/1219369626.db2.gz SCSLKMWPGGJSCQ-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CC2CC(C)C2)[C@@H](n2ccnn2)C1 ZINC001070317406 1219372145 /nfs/dbraw/zinc/37/21/45/1219372145.db2.gz PFYBOSPXVCIRGV-BLMDWJLWSA-N 2 2 357.462 0.940 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001227840053 1225888288 /nfs/dbraw/zinc/88/82/88/1225888288.db2.gz WCYHLKRQMOXNHQ-HZPDHXFCSA-N 2 2 363.462 0.149 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070475240 1219426153 /nfs/dbraw/zinc/42/61/53/1219426153.db2.gz JRIUHKLCWAJEAT-USXIJHARSA-N 2 2 358.446 0.587 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]Cc2ccon2)c1 ZINC001070475240 1219426154 /nfs/dbraw/zinc/42/61/54/1219426154.db2.gz JRIUHKLCWAJEAT-USXIJHARSA-N 2 2 358.446 0.587 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954816 1225891727 /nfs/dbraw/zinc/89/17/27/1225891727.db2.gz YQFGEXWJVTWMNV-BFYDXBDKSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954816 1225891728 /nfs/dbraw/zinc/89/17/28/1225891728.db2.gz YQFGEXWJVTWMNV-BFYDXBDKSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954818 1225892283 /nfs/dbraw/zinc/89/22/83/1225892283.db2.gz YQFGEXWJVTWMNV-ZMSDIMECSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954818 1225892285 /nfs/dbraw/zinc/89/22/85/1225892285.db2.gz YQFGEXWJVTWMNV-ZMSDIMECSA-N 2 2 368.522 0.591 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2[NH2+]CCF)c1 ZINC001070506697 1219444442 /nfs/dbraw/zinc/44/44/42/1219444442.db2.gz MTXFHGQUJNTJKI-JLJPHGGASA-N 2 2 360.437 0.733 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2cn(C)cn2)on1 ZINC001070570478 1219474678 /nfs/dbraw/zinc/47/46/78/1219474678.db2.gz QYOZKKVDPCBJKK-DOTOQJQBSA-N 2 2 369.429 0.697 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCO ZINC001070659689 1219512493 /nfs/dbraw/zinc/51/24/93/1219512493.db2.gz YCBNITRNQSKMGZ-CZUORRHYSA-N 2 2 354.414 0.487 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCF ZINC001070661706 1219512907 /nfs/dbraw/zinc/51/29/07/1219512907.db2.gz BOIKJIHUUCBVGY-NUEKZKHPSA-N 2 2 360.437 0.733 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915291 1219569951 /nfs/dbraw/zinc/56/99/51/1219569951.db2.gz USNWEWGLTGEXSL-XHSDSOJGSA-N 2 2 361.446 0.707 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001070915291 1219569955 /nfs/dbraw/zinc/56/99/55/1219569955.db2.gz USNWEWGLTGEXSL-XHSDSOJGSA-N 2 2 361.446 0.707 20 0 FCADLP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916814 1219572215 /nfs/dbraw/zinc/57/22/15/1219572215.db2.gz YHDSOUVERFJRKN-XHSDSOJGSA-N 2 2 361.446 0.788 20 0 FCADLP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001070916814 1219572218 /nfs/dbraw/zinc/57/22/18/1219572218.db2.gz YHDSOUVERFJRKN-XHSDSOJGSA-N 2 2 361.446 0.788 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)O1 ZINC001070926941 1219583242 /nfs/dbraw/zinc/58/32/42/1219583242.db2.gz SAGYDOKRGOXGCL-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)O1 ZINC001070926941 1219583244 /nfs/dbraw/zinc/58/32/44/1219583244.db2.gz SAGYDOKRGOXGCL-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001277283063 1225906766 /nfs/dbraw/zinc/90/67/66/1225906766.db2.gz OZEUGYLXIUSXOB-OAHLLOKOSA-N 2 2 356.430 0.834 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001071061211 1219597337 /nfs/dbraw/zinc/59/73/37/1219597337.db2.gz SDCVATBJMIXPNG-MJEQTWJJSA-N 2 2 363.462 0.202 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C(N)=O ZINC001071061211 1219597344 /nfs/dbraw/zinc/59/73/44/1219597344.db2.gz SDCVATBJMIXPNG-MJEQTWJJSA-N 2 2 363.462 0.202 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)n1 ZINC001072828644 1219623517 /nfs/dbraw/zinc/62/35/17/1219623517.db2.gz KJSSFQWYRIRLGX-HZPDHXFCSA-N 2 2 369.473 0.956 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)n1 ZINC001072828644 1219623522 /nfs/dbraw/zinc/62/35/22/1219623522.db2.gz KJSSFQWYRIRLGX-HZPDHXFCSA-N 2 2 369.473 0.956 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001072828484 1219623852 /nfs/dbraw/zinc/62/38/52/1219623852.db2.gz BJEIPJXIHHEKAQ-ZIAGYGMSSA-N 2 2 358.446 0.073 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](CCN1CCNC1=O)C2 ZINC001072828484 1219623855 /nfs/dbraw/zinc/62/38/55/1219623855.db2.gz BJEIPJXIHHEKAQ-ZIAGYGMSSA-N 2 2 358.446 0.073 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC001072994919 1219631012 /nfs/dbraw/zinc/63/10/12/1219631012.db2.gz ZQIXRZZBLTXHIH-KFWWJZLASA-N 2 2 357.458 0.289 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC001072994919 1219631016 /nfs/dbraw/zinc/63/10/16/1219631016.db2.gz ZQIXRZZBLTXHIH-KFWWJZLASA-N 2 2 357.458 0.289 20 0 FCADLP CN(C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1)C1CC1 ZINC001072994835 1219631042 /nfs/dbraw/zinc/63/10/42/1219631042.db2.gz UVKYDUFKQYRYSN-HZPDHXFCSA-N 2 2 371.485 0.679 20 0 FCADLP CN(C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1)C1CC1 ZINC001072994835 1219631046 /nfs/dbraw/zinc/63/10/46/1219631046.db2.gz UVKYDUFKQYRYSN-HZPDHXFCSA-N 2 2 371.485 0.679 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001073125209 1219639054 /nfs/dbraw/zinc/63/90/54/1219639054.db2.gz PEQBEYZVSFLMQR-HUUCEWRRSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001073125209 1219639058 /nfs/dbraw/zinc/63/90/58/1219639058.db2.gz PEQBEYZVSFLMQR-HUUCEWRRSA-N 2 2 363.462 0.100 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709860 1219717694 /nfs/dbraw/zinc/71/76/94/1219717694.db2.gz UAHNXIXPWKHONO-FXUDXRNXSA-N 2 2 364.494 0.486 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709860 1219717697 /nfs/dbraw/zinc/71/76/97/1219717697.db2.gz UAHNXIXPWKHONO-FXUDXRNXSA-N 2 2 364.494 0.486 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074710983 1219717903 /nfs/dbraw/zinc/71/79/03/1219717903.db2.gz LQFPJDGPLMLBOX-PAPYEOQZSA-N 2 2 362.478 0.480 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074710983 1219717907 /nfs/dbraw/zinc/71/79/07/1219717907.db2.gz LQFPJDGPLMLBOX-PAPYEOQZSA-N 2 2 362.478 0.480 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)nn1 ZINC001098223357 1219743451 /nfs/dbraw/zinc/74/34/51/1219743451.db2.gz IEKJSPADGHBGLX-OAGGEKHMSA-N 2 2 357.458 0.803 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)nn1 ZINC001098223357 1219743453 /nfs/dbraw/zinc/74/34/53/1219743453.db2.gz IEKJSPADGHBGLX-OAGGEKHMSA-N 2 2 357.458 0.803 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001098285923 1219752248 /nfs/dbraw/zinc/75/22/48/1219752248.db2.gz UDWFKYUHYPESKP-WTTBNOFXSA-N 2 2 358.446 0.240 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001098285923 1219752250 /nfs/dbraw/zinc/75/22/50/1219752250.db2.gz UDWFKYUHYPESKP-WTTBNOFXSA-N 2 2 358.446 0.240 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001098439749 1219780743 /nfs/dbraw/zinc/78/07/43/1219780743.db2.gz IKEXHPLYPHTGRE-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCCC2=O)C1 ZINC001098439749 1219780745 /nfs/dbraw/zinc/78/07/45/1219780745.db2.gz IKEXHPLYPHTGRE-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCCC2=O)C1 ZINC001098439749 1219780750 /nfs/dbraw/zinc/78/07/50/1219780750.db2.gz IKEXHPLYPHTGRE-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)C1 ZINC001098439749 1219780752 /nfs/dbraw/zinc/78/07/52/1219780752.db2.gz IKEXHPLYPHTGRE-WCXIOVBPSA-N 2 2 364.490 0.051 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000749732154 1219807936 /nfs/dbraw/zinc/80/79/36/1219807936.db2.gz OAXKNRCOWIPGOL-KRWDZBQOSA-N 2 2 359.474 0.313 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000749732154 1219807938 /nfs/dbraw/zinc/80/79/38/1219807938.db2.gz OAXKNRCOWIPGOL-KRWDZBQOSA-N 2 2 359.474 0.313 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000749732154 1219807940 /nfs/dbraw/zinc/80/79/40/1219807940.db2.gz OAXKNRCOWIPGOL-KRWDZBQOSA-N 2 2 359.474 0.313 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000749732154 1219807945 /nfs/dbraw/zinc/80/79/45/1219807945.db2.gz OAXKNRCOWIPGOL-KRWDZBQOSA-N 2 2 359.474 0.313 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001098841287 1219838170 /nfs/dbraw/zinc/83/81/70/1219838170.db2.gz GPTVAAQTUUCCOG-BXWFABGCSA-N 2 2 358.490 0.926 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)[nH]1 ZINC001098841287 1219838172 /nfs/dbraw/zinc/83/81/72/1219838172.db2.gz GPTVAAQTUUCCOG-BXWFABGCSA-N 2 2 358.490 0.926 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCNC2=O)C3)no1 ZINC001098914893 1219861699 /nfs/dbraw/zinc/86/16/99/1219861699.db2.gz YDCRBRMDUATJOW-QITLCBANSA-N 2 2 361.446 0.209 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCNC2=O)C3)no1 ZINC001098914893 1219861700 /nfs/dbraw/zinc/86/17/00/1219861700.db2.gz YDCRBRMDUATJOW-QITLCBANSA-N 2 2 361.446 0.209 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946205 1219871578 /nfs/dbraw/zinc/87/15/78/1219871578.db2.gz GTFURDOYUDVQPP-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946205 1219871581 /nfs/dbraw/zinc/87/15/81/1219871581.db2.gz GTFURDOYUDVQPP-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098945531 1219871632 /nfs/dbraw/zinc/87/16/32/1219871632.db2.gz BJFKMETVWFFGKF-TYILLQQXSA-N 2 2 359.474 0.606 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001098945531 1219871633 /nfs/dbraw/zinc/87/16/33/1219871633.db2.gz BJFKMETVWFFGKF-TYILLQQXSA-N 2 2 359.474 0.606 20 0 FCADLP NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001099030262 1219892704 /nfs/dbraw/zinc/89/27/04/1219892704.db2.gz DDGFKVZNBHJVJF-UGSOOPFHSA-N 2 2 361.446 0.340 20 0 FCADLP NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001099030262 1219892706 /nfs/dbraw/zinc/89/27/06/1219892706.db2.gz DDGFKVZNBHJVJF-UGSOOPFHSA-N 2 2 361.446 0.340 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001111465241 1219898397 /nfs/dbraw/zinc/89/83/97/1219898397.db2.gz KZHYVBCTOLIIET-ZACQAIPSSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001111465241 1219898398 /nfs/dbraw/zinc/89/83/98/1219898398.db2.gz KZHYVBCTOLIIET-ZACQAIPSSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001111465241 1219898400 /nfs/dbraw/zinc/89/84/00/1219898400.db2.gz KZHYVBCTOLIIET-ZACQAIPSSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001111465241 1219898405 /nfs/dbraw/zinc/89/84/05/1219898405.db2.gz KZHYVBCTOLIIET-ZACQAIPSSA-N 2 2 366.506 0.343 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001099121342 1219921246 /nfs/dbraw/zinc/92/12/46/1219921246.db2.gz WMIZMJXRYSUCLK-QOKNQOGYSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001099121342 1219921251 /nfs/dbraw/zinc/92/12/51/1219921251.db2.gz WMIZMJXRYSUCLK-QOKNQOGYSA-N 2 2 359.474 0.554 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001099138150 1219925429 /nfs/dbraw/zinc/92/54/29/1219925429.db2.gz UFPGQGXDBWTKEP-QOKNQOGYSA-N 2 2 359.474 0.852 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCN(C)C1=O)C2 ZINC001099138150 1219925433 /nfs/dbraw/zinc/92/54/33/1219925433.db2.gz UFPGQGXDBWTKEP-QOKNQOGYSA-N 2 2 359.474 0.852 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1C ZINC001099159664 1219935049 /nfs/dbraw/zinc/93/50/49/1219935049.db2.gz HRCVSDBITZUKCL-VCBZYWHSSA-N 2 2 360.506 0.800 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1C ZINC001099159664 1219935053 /nfs/dbraw/zinc/93/50/53/1219935053.db2.gz HRCVSDBITZUKCL-VCBZYWHSSA-N 2 2 360.506 0.800 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1C ZINC001099159664 1219935060 /nfs/dbraw/zinc/93/50/60/1219935060.db2.gz HRCVSDBITZUKCL-VCBZYWHSSA-N 2 2 360.506 0.800 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1C ZINC001099159664 1219935065 /nfs/dbraw/zinc/93/50/65/1219935065.db2.gz HRCVSDBITZUKCL-VCBZYWHSSA-N 2 2 360.506 0.800 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001099184197 1219943873 /nfs/dbraw/zinc/94/38/73/1219943873.db2.gz DKNDORWHMBFVJO-FCEWJHQRSA-N 2 2 359.474 0.863 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001099184197 1219943878 /nfs/dbraw/zinc/94/38/78/1219943878.db2.gz DKNDORWHMBFVJO-FCEWJHQRSA-N 2 2 359.474 0.863 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001099183596 1219943963 /nfs/dbraw/zinc/94/39/63/1219943963.db2.gz JCPYVXNXQYTMQR-BXWFABGCSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001099183596 1219943966 /nfs/dbraw/zinc/94/39/66/1219943966.db2.gz JCPYVXNXQYTMQR-BXWFABGCSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099184484 1219944318 /nfs/dbraw/zinc/94/43/18/1219944318.db2.gz RNKPWJQYMWRSKN-DAYGRLMNSA-N 2 2 355.446 0.633 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001099184484 1219944321 /nfs/dbraw/zinc/94/43/21/1219944321.db2.gz RNKPWJQYMWRSKN-DAYGRLMNSA-N 2 2 355.446 0.633 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C(F)(F)F)[nH]1 ZINC001099254558 1219957924 /nfs/dbraw/zinc/95/79/24/1219957924.db2.gz LSFFTGCDRQXWCB-OJAKKHQRSA-N 2 2 374.411 0.932 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C(F)(F)F)[nH]1 ZINC001099254558 1219957927 /nfs/dbraw/zinc/95/79/27/1219957927.db2.gz LSFFTGCDRQXWCB-OJAKKHQRSA-N 2 2 374.411 0.932 20 0 FCADLP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2[nH+]ccn2C)C3)nn1 ZINC001099470165 1220006927 /nfs/dbraw/zinc/00/69/27/1220006927.db2.gz RAUXIMOKKCGHCC-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP Cn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCn2cc[nH+]c2)C3)nn1 ZINC001099472844 1220007839 /nfs/dbraw/zinc/00/78/39/1220007839.db2.gz KLQJJYPHLJVKOD-YJBOKZPZSA-N 2 2 357.462 0.820 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)NC[C@@H]1CCCO1 ZINC001228801333 1225951479 /nfs/dbraw/zinc/95/14/79/1225951479.db2.gz XRPLOAOPMNBHHX-ARFHVFGLSA-N 2 2 363.462 0.264 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)Cc2cc[nH+]c(N)c2)C3)CC1 ZINC001277331678 1225953586 /nfs/dbraw/zinc/95/35/86/1225953586.db2.gz ONXVVDRBJVNMAS-HNNXBMFYSA-N 2 2 357.458 0.265 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300341 1220276932 /nfs/dbraw/zinc/27/69/32/1220276932.db2.gz UJNCTLSYJRIPNR-OGWOLHLISA-N 2 2 361.490 0.887 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300341 1220276939 /nfs/dbraw/zinc/27/69/39/1220276939.db2.gz UJNCTLSYJRIPNR-OGWOLHLISA-N 2 2 361.490 0.887 20 0 FCADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000759145266 1220293058 /nfs/dbraw/zinc/29/30/58/1220293058.db2.gz FKFZLFKXAQULBV-HNNXBMFYSA-N 2 2 360.462 0.839 20 0 FCADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000759145266 1220293061 /nfs/dbraw/zinc/29/30/61/1220293061.db2.gz FKFZLFKXAQULBV-HNNXBMFYSA-N 2 2 360.462 0.839 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001101360643 1220301081 /nfs/dbraw/zinc/30/10/81/1220301081.db2.gz CCUANAKJJSMMQA-TYILLQQXSA-N 2 2 359.474 0.746 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001101360643 1220301086 /nfs/dbraw/zinc/30/10/86/1220301086.db2.gz CCUANAKJJSMMQA-TYILLQQXSA-N 2 2 359.474 0.746 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444810 1220347640 /nfs/dbraw/zinc/34/76/40/1220347640.db2.gz LPWDJAUWYQBLCI-BEFAXECRSA-N 2 2 361.490 0.957 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444810 1220347644 /nfs/dbraw/zinc/34/76/44/1220347644.db2.gz LPWDJAUWYQBLCI-BEFAXECRSA-N 2 2 361.490 0.957 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444978 1220348375 /nfs/dbraw/zinc/34/83/75/1220348375.db2.gz UWSGWFMAAQQBCV-MUKKUYKPSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444978 1220348378 /nfs/dbraw/zinc/34/83/78/1220348378.db2.gz UWSGWFMAAQQBCV-MUKKUYKPSA-N 2 2 361.490 0.956 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488067 1220371556 /nfs/dbraw/zinc/37/15/56/1220371556.db2.gz KHEXAVAGNHUGEE-MDZRGWNJSA-N 2 2 361.490 0.824 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488067 1220371562 /nfs/dbraw/zinc/37/15/62/1220371562.db2.gz KHEXAVAGNHUGEE-MDZRGWNJSA-N 2 2 361.490 0.824 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@@H+](CCOCCO)C[C@H]3C)ccn12 ZINC001101971056 1220447875 /nfs/dbraw/zinc/44/78/75/1220447875.db2.gz DCKZZAPATAMFJK-RHSMWYFYSA-N 2 2 360.458 0.949 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@H+](CCOCCO)C[C@H]3C)ccn12 ZINC001101971056 1220447878 /nfs/dbraw/zinc/44/78/78/1220447878.db2.gz DCKZZAPATAMFJK-RHSMWYFYSA-N 2 2 360.458 0.949 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986978 1220453587 /nfs/dbraw/zinc/45/35/87/1220453587.db2.gz SPPGHHCWHGTCKE-HUUCEWRRSA-N 2 2 361.490 0.582 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986978 1220453589 /nfs/dbraw/zinc/45/35/89/1220453589.db2.gz SPPGHHCWHGTCKE-HUUCEWRRSA-N 2 2 361.490 0.582 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031037 1220471326 /nfs/dbraw/zinc/47/13/26/1220471326.db2.gz OZRQBPMXKSUSOA-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031037 1220471328 /nfs/dbraw/zinc/47/13/28/1220471328.db2.gz OZRQBPMXKSUSOA-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031037 1220471331 /nfs/dbraw/zinc/47/13/31/1220471331.db2.gz OZRQBPMXKSUSOA-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031037 1220471334 /nfs/dbraw/zinc/47/13/34/1220471334.db2.gz OZRQBPMXKSUSOA-HUUCEWRRSA-N 2 2 364.494 0.734 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102045273 1220475585 /nfs/dbraw/zinc/47/55/85/1220475585.db2.gz ZLRGFBHDKNMEFC-IIAWOOMASA-N 2 2 361.450 0.081 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnon2)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102045273 1220475591 /nfs/dbraw/zinc/47/55/91/1220475591.db2.gz ZLRGFBHDKNMEFC-IIAWOOMASA-N 2 2 361.450 0.081 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105227 1220497229 /nfs/dbraw/zinc/49/72/29/1220497229.db2.gz JZUCAGNIOVQRFZ-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105227 1220497231 /nfs/dbraw/zinc/49/72/31/1220497231.db2.gz JZUCAGNIOVQRFZ-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104251 1220497912 /nfs/dbraw/zinc/49/79/12/1220497912.db2.gz MPBNDALRXMUPQB-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104251 1220497915 /nfs/dbraw/zinc/49/79/15/1220497915.db2.gz MPBNDALRXMUPQB-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174512 1220535178 /nfs/dbraw/zinc/53/51/78/1220535178.db2.gz XLTRPRFNWLXESJ-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174512 1220535184 /nfs/dbraw/zinc/53/51/84/1220535184.db2.gz XLTRPRFNWLXESJ-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205208 1220550149 /nfs/dbraw/zinc/55/01/49/1220550149.db2.gz QKQLUDUQNFGKLE-BRWVUGGUSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205208 1220550154 /nfs/dbraw/zinc/55/01/54/1220550154.db2.gz QKQLUDUQNFGKLE-BRWVUGGUSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369899 1220595837 /nfs/dbraw/zinc/59/58/37/1220595837.db2.gz JWIHBTMULNAJMA-ARFHVFGLSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369899 1220595843 /nfs/dbraw/zinc/59/58/43/1220595843.db2.gz JWIHBTMULNAJMA-ARFHVFGLSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369899 1220595850 /nfs/dbraw/zinc/59/58/50/1220595850.db2.gz JWIHBTMULNAJMA-ARFHVFGLSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ncnn3CCF)C[C@H]2C)C1 ZINC001102369899 1220595855 /nfs/dbraw/zinc/59/58/55/1220595855.db2.gz JWIHBTMULNAJMA-ARFHVFGLSA-N 2 2 366.485 0.774 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380580 1220601998 /nfs/dbraw/zinc/60/19/98/1220601998.db2.gz NKDKQXOUOFNBHY-KLHDSHLOSA-N 2 2 361.490 0.734 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380580 1220602000 /nfs/dbraw/zinc/60/20/00/1220602000.db2.gz NKDKQXOUOFNBHY-KLHDSHLOSA-N 2 2 361.490 0.734 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)[nH]1 ZINC001229142479 1225983069 /nfs/dbraw/zinc/98/30/69/1225983069.db2.gz VBSDTXQZSNCGLH-FVQBIDKESA-N 2 2 364.494 0.913 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)on1 ZINC001229142710 1225983290 /nfs/dbraw/zinc/98/32/90/1225983290.db2.gz ZYNAHOGMPXXDAV-HZPDHXFCSA-N 2 2 366.462 0.923 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)C1=O ZINC001102513213 1220671900 /nfs/dbraw/zinc/67/19/00/1220671900.db2.gz AHDOOUCYZAKFNK-INMHGKMJSA-N 2 2 361.490 0.656 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)C1=O ZINC001102513213 1220671902 /nfs/dbraw/zinc/67/19/02/1220671902.db2.gz AHDOOUCYZAKFNK-INMHGKMJSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513907 1220673495 /nfs/dbraw/zinc/67/34/95/1220673495.db2.gz GGANHUPEYYGUPL-OWCLPIDISA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102513907 1220673498 /nfs/dbraw/zinc/67/34/98/1220673498.db2.gz GGANHUPEYYGUPL-OWCLPIDISA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102513907 1220673500 /nfs/dbraw/zinc/67/35/00/1220673500.db2.gz GGANHUPEYYGUPL-OWCLPIDISA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102513907 1220673504 /nfs/dbraw/zinc/67/35/04/1220673504.db2.gz GGANHUPEYYGUPL-OWCLPIDISA-N 2 2 366.485 0.774 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514636 1220673678 /nfs/dbraw/zinc/67/36/78/1220673678.db2.gz GURHXSFMQUBVFI-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514636 1220673681 /nfs/dbraw/zinc/67/36/81/1220673681.db2.gz GURHXSFMQUBVFI-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540517 1220688316 /nfs/dbraw/zinc/68/83/16/1220688316.db2.gz ONKHBFDWUAQGNI-HZPDHXFCSA-N 2 2 363.506 0.809 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540517 1220688320 /nfs/dbraw/zinc/68/83/20/1220688320.db2.gz ONKHBFDWUAQGNI-HZPDHXFCSA-N 2 2 363.506 0.809 20 0 FCADLP CCCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102580102 1220702496 /nfs/dbraw/zinc/70/24/96/1220702496.db2.gz GGFRKVKZKXJNCY-HZPDHXFCSA-N 2 2 363.510 0.753 20 0 FCADLP 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CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819593 1220790617 /nfs/dbraw/zinc/79/06/17/1220790617.db2.gz WMWVOKFTJPZCMX-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819593 1220790618 /nfs/dbraw/zinc/79/06/18/1220790618.db2.gz WMWVOKFTJPZCMX-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819593 1220790619 /nfs/dbraw/zinc/79/06/19/1220790619.db2.gz WMWVOKFTJPZCMX-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819593 1220790620 /nfs/dbraw/zinc/79/06/20/1220790620.db2.gz WMWVOKFTJPZCMX-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001102996781 1220818149 /nfs/dbraw/zinc/81/81/49/1220818149.db2.gz KXBFYSBAHXNHNJ-QBPKDAKJSA-N 2 2 373.501 0.713 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001102996781 1220818153 /nfs/dbraw/zinc/81/81/53/1220818153.db2.gz KXBFYSBAHXNHNJ-QBPKDAKJSA-N 2 2 373.501 0.713 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103138559 1220839048 /nfs/dbraw/zinc/83/90/48/1220839048.db2.gz RFGTXQPSIASGTR-IIAWOOMASA-N 2 2 360.458 0.595 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103138559 1220839053 /nfs/dbraw/zinc/83/90/53/1220839053.db2.gz RFGTXQPSIASGTR-IIAWOOMASA-N 2 2 360.458 0.595 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159765 1220841619 /nfs/dbraw/zinc/84/16/19/1220841619.db2.gz YNXSYGDMYMMCBK-BRWVUGGUSA-N 2 2 371.489 0.811 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001103159765 1220841620 /nfs/dbraw/zinc/84/16/20/1220841620.db2.gz YNXSYGDMYMMCBK-BRWVUGGUSA-N 2 2 371.489 0.811 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001103159499 1220841829 /nfs/dbraw/zinc/84/18/29/1220841829.db2.gz LYJHQNVCJRUQDW-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001103159499 1220841830 /nfs/dbraw/zinc/84/18/30/1220841830.db2.gz LYJHQNVCJRUQDW-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001103162963 1220842366 /nfs/dbraw/zinc/84/23/66/1220842366.db2.gz RQHJUSRIRILDML-BRWVUGGUSA-N 2 2 371.489 0.811 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001103162963 1220842370 /nfs/dbraw/zinc/84/23/70/1220842370.db2.gz RQHJUSRIRILDML-BRWVUGGUSA-N 2 2 371.489 0.811 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162663 1220842519 /nfs/dbraw/zinc/84/25/19/1220842519.db2.gz FMFCJYANEAKHLN-OAGGEKHMSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162663 1220842520 /nfs/dbraw/zinc/84/25/20/1220842520.db2.gz FMFCJYANEAKHLN-OAGGEKHMSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cccc2[nH+]ccn21 ZINC001103224213 1220853495 /nfs/dbraw/zinc/85/34/95/1220853495.db2.gz PMACYSPXDUWYFL-KFWWJZLASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)c1cccc2[nH+]ccn21 ZINC001103224213 1220853498 /nfs/dbraw/zinc/85/34/98/1220853498.db2.gz PMACYSPXDUWYFL-KFWWJZLASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103260184 1220857240 /nfs/dbraw/zinc/85/72/40/1220857240.db2.gz FCUAYYHNGWWQBX-HZPDHXFCSA-N 2 2 359.478 0.719 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)CCc1[nH+]ccn1C ZINC001103260184 1220857243 /nfs/dbraw/zinc/85/72/43/1220857243.db2.gz FCUAYYHNGWWQBX-HZPDHXFCSA-N 2 2 359.478 0.719 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290332 1220861155 /nfs/dbraw/zinc/86/11/55/1220861155.db2.gz KCJOVVYBAUDPTQ-HZPDHXFCSA-N 2 2 362.478 0.373 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290332 1220861159 /nfs/dbraw/zinc/86/11/59/1220861159.db2.gz KCJOVVYBAUDPTQ-HZPDHXFCSA-N 2 2 362.478 0.373 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103517553 1220894022 /nfs/dbraw/zinc/89/40/22/1220894022.db2.gz SEEZGDNXIUKKIU-RRFJBIMHSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103517553 1220894023 /nfs/dbraw/zinc/89/40/23/1220894023.db2.gz SEEZGDNXIUKKIU-RRFJBIMHSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103517553 1220894028 /nfs/dbraw/zinc/89/40/28/1220894028.db2.gz SEEZGDNXIUKKIU-RRFJBIMHSA-N 2 2 361.490 0.941 20 0 FCADLP 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CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]2C)C1 ZINC001103740331 1220958818 /nfs/dbraw/zinc/95/88/18/1220958818.db2.gz DCFHFKVTIXRNPE-BMFZPTHFSA-N 2 2 365.478 0.673 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2cnccn2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779277 1220971440 /nfs/dbraw/zinc/97/14/40/1220971440.db2.gz VHXKBRZEJSDARU-HUUCEWRRSA-N 2 2 371.445 0.386 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cnccn2)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779277 1220971445 /nfs/dbraw/zinc/97/14/45/1220971445.db2.gz VHXKBRZEJSDARU-HUUCEWRRSA-N 2 2 371.445 0.386 20 0 FCADLP CCn1ccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033677 1221001686 /nfs/dbraw/zinc/00/16/86/1221001686.db2.gz BYPAWZPLRXLKTM-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033677 1221001688 /nfs/dbraw/zinc/00/16/88/1221001688.db2.gz BYPAWZPLRXLKTM-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnnn1C)C2 ZINC001111766809 1221097072 /nfs/dbraw/zinc/09/70/72/1221097072.db2.gz CRBXEJQEFZOOBX-ZVZYQTTQSA-N 2 2 366.485 0.966 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnnn1C)C2 ZINC001111766809 1221097073 /nfs/dbraw/zinc/09/70/73/1221097073.db2.gz CRBXEJQEFZOOBX-ZVZYQTTQSA-N 2 2 366.485 0.966 20 0 FCADLP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000782274005 1221140270 /nfs/dbraw/zinc/14/02/70/1221140270.db2.gz QXJUFYKTJKGRRU-INIZCTEOSA-N 2 2 366.506 0.456 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111938217 1221178821 /nfs/dbraw/zinc/17/88/21/1221178821.db2.gz QTNKIRDGJISFEB-KSSFIOAISA-N 2 2 365.478 0.681 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)o1 ZINC001111938217 1221178822 /nfs/dbraw/zinc/17/88/22/1221178822.db2.gz QTNKIRDGJISFEB-KSSFIOAISA-N 2 2 365.478 0.681 20 0 FCADLP Cc1noc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939879 1221180037 /nfs/dbraw/zinc/18/00/37/1221180037.db2.gz XOMYMCNBZODCGQ-YEWWUXTCSA-N 2 2 365.478 0.988 20 0 FCADLP Cc1noc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939879 1221180040 /nfs/dbraw/zinc/18/00/40/1221180040.db2.gz XOMYMCNBZODCGQ-YEWWUXTCSA-N 2 2 365.478 0.988 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001111962633 1221187103 /nfs/dbraw/zinc/18/71/03/1221187103.db2.gz IJTSBPCEZLMMHB-KXBFYZLASA-N 2 2 359.474 0.556 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111962633 1221187108 /nfs/dbraw/zinc/18/71/08/1221187108.db2.gz IJTSBPCEZLMMHB-KXBFYZLASA-N 2 2 359.474 0.556 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000783995370 1221227621 /nfs/dbraw/zinc/22/76/21/1221227621.db2.gz NGBNNJHREKYTQB-KONPQCLYSA-N 2 2 361.490 0.877 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCOCC3(CCOCC3)C1)C2=O ZINC000784042334 1221229477 /nfs/dbraw/zinc/22/94/77/1221229477.db2.gz BJCZOUDPQXCKJL-UHFFFAOYSA-N 2 2 366.462 0.089 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCOCC3(CCOCC3)C1)C2=O ZINC000784042334 1221229481 /nfs/dbraw/zinc/22/94/81/1221229481.db2.gz BJCZOUDPQXCKJL-UHFFFAOYSA-N 2 2 366.462 0.089 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229692171 1226028079 /nfs/dbraw/zinc/02/80/79/1226028079.db2.gz FQMWUKLIDXWBCS-ZIAGYGMSSA-N 2 2 360.418 0.606 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001116314033 1221352757 /nfs/dbraw/zinc/35/27/57/1221352757.db2.gz OAGZNUDDFFSYBL-AWEZNQCLSA-N 2 2 361.446 0.233 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001116314033 1221352760 /nfs/dbraw/zinc/35/27/60/1221352760.db2.gz OAGZNUDDFFSYBL-AWEZNQCLSA-N 2 2 361.446 0.233 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001230018625 1226045786 /nfs/dbraw/zinc/04/57/86/1226045786.db2.gz FBHTXOMQTWUUSU-BRWVUGGUSA-N 2 2 361.490 0.991 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1 ZINC001230149611 1226059519 /nfs/dbraw/zinc/05/95/19/1226059519.db2.gz OKDFNLZMVDVKRE-GVDBMIGSSA-N 2 2 361.490 0.962 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[C@@H]1C(F)(F)F ZINC001118867279 1221837458 /nfs/dbraw/zinc/83/74/58/1221837458.db2.gz JQAFBVFMWSKGPV-UTUOFQBUSA-N 2 2 373.379 0.300 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119145395 1221877604 /nfs/dbraw/zinc/87/76/04/1221877604.db2.gz VJCAOIFHTAKMLZ-AEFFLSMTSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119145395 1221877607 /nfs/dbraw/zinc/87/76/07/1221877607.db2.gz VJCAOIFHTAKMLZ-AEFFLSMTSA-N 2 2 368.522 0.897 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001119353005 1221904196 /nfs/dbraw/zinc/90/41/96/1221904196.db2.gz VXZRKBSKZUOKPH-GBEXYDAJSA-N 2 2 356.470 0.765 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001119427042 1221915854 /nfs/dbraw/zinc/91/58/54/1221915854.db2.gz CVJQFZRNIINKDX-NXOAAHMSSA-N 2 2 373.501 0.848 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001120589379 1222107488 /nfs/dbraw/zinc/10/74/88/1222107488.db2.gz CNKMLGQRPVPRRJ-OWCLPIDISA-N 2 2 372.473 0.312 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(Cc4nnc[nH]4)n3C)CC2)CC1 ZINC001121375999 1222170703 /nfs/dbraw/zinc/17/07/03/1222170703.db2.gz FIOUQMSUDGJUSI-UHFFFAOYSA-N 2 2 373.509 0.520 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(Cc4nnc[nH]4)n3C)CC2)CC1 ZINC001121375999 1222170705 /nfs/dbraw/zinc/17/07/05/1222170705.db2.gz FIOUQMSUDGJUSI-UHFFFAOYSA-N 2 2 373.509 0.520 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001121905763 1222222573 /nfs/dbraw/zinc/22/25/73/1222222573.db2.gz PUTZMWRUCRIYHD-IBGZPJMESA-N 2 2 360.458 0.517 20 0 FCADLP Cc1ccc(O)c(C[N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001231672284 1226116730 /nfs/dbraw/zinc/11/67/30/1226116730.db2.gz PRXJCLYHBCXWDP-UHFFFAOYSA-N 2 2 359.430 0.933 20 0 FCADLP Cc1ccc(O)c(C[N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001231672284 1226116733 /nfs/dbraw/zinc/11/67/33/1226116733.db2.gz PRXJCLYHBCXWDP-UHFFFAOYSA-N 2 2 359.430 0.933 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3nnnn3C)CC2)CC1 ZINC001123670432 1222348659 /nfs/dbraw/zinc/34/86/59/1222348659.db2.gz CPXDBZRQHVSHSA-AWEZNQCLSA-N 2 2 364.498 0.473 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3nnnn3C)CC2)CC1 ZINC001123670432 1222348662 /nfs/dbraw/zinc/34/86/62/1222348662.db2.gz CPXDBZRQHVSHSA-AWEZNQCLSA-N 2 2 364.498 0.473 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452071 1222473545 /nfs/dbraw/zinc/47/35/45/1222473545.db2.gz XGGGFOJLVRKMOS-HUUCEWRRSA-N 2 2 372.510 0.356 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452071 1222473551 /nfs/dbraw/zinc/47/35/51/1222473551.db2.gz XGGGFOJLVRKMOS-HUUCEWRRSA-N 2 2 372.510 0.356 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452068 1222473659 /nfs/dbraw/zinc/47/36/59/1222473659.db2.gz XGGGFOJLVRKMOS-CABCVRRESA-N 2 2 372.510 0.356 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000830452068 1222473667 /nfs/dbraw/zinc/47/36/67/1222473667.db2.gz XGGGFOJLVRKMOS-CABCVRRESA-N 2 2 372.510 0.356 20 0 FCADLP CC(C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920695 1222485824 /nfs/dbraw/zinc/48/58/24/1222485824.db2.gz CFLUKQSGBNFJAE-WCVJEAGWSA-N 2 2 366.462 0.483 20 0 FCADLP CC(C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920695 1222485827 /nfs/dbraw/zinc/48/58/27/1222485827.db2.gz CFLUKQSGBNFJAE-WCVJEAGWSA-N 2 2 366.462 0.483 20 0 FCADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000839238988 1222707439 /nfs/dbraw/zinc/70/74/39/1222707439.db2.gz KKMCUXQQBZODDL-UHFFFAOYSA-N 2 2 372.513 0.926 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3cccnc3)CC2)C1=O ZINC001142144894 1222812064 /nfs/dbraw/zinc/81/20/64/1222812064.db2.gz JIRPZUJZQSRHDN-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3cccnc3)CC2)C1=O ZINC001142144894 1222812066 /nfs/dbraw/zinc/81/20/66/1222812066.db2.gz JIRPZUJZQSRHDN-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000842058853 1222834345 /nfs/dbraw/zinc/83/43/45/1222834345.db2.gz ZBPFSTZJBGOFAI-LJQANCHMSA-N 2 2 353.426 0.701 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001142628507 1222845532 /nfs/dbraw/zinc/84/55/32/1222845532.db2.gz JKANUXYCKLYJCQ-XLAORIBOSA-N 2 2 371.485 0.918 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000842832632 1222853374 /nfs/dbraw/zinc/85/33/74/1222853374.db2.gz FMXCRYMYINZKOK-QGZVFWFLSA-N 2 2 360.458 0.761 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C[C@@H]1C ZINC000843246874 1222862579 /nfs/dbraw/zinc/86/25/79/1222862579.db2.gz BUQMZHJDVQFJMT-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C[C@@H]1C ZINC000843246874 1222862580 /nfs/dbraw/zinc/86/25/80/1222862580.db2.gz BUQMZHJDVQFJMT-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C[C@@H]1C ZINC000843246874 1222862581 /nfs/dbraw/zinc/86/25/81/1222862581.db2.gz BUQMZHJDVQFJMT-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C[C@@H]1C ZINC000843246874 1222862582 /nfs/dbraw/zinc/86/25/82/1222862582.db2.gz BUQMZHJDVQFJMT-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CN(C(=O)c1ccc(N)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000843489166 1222878767 /nfs/dbraw/zinc/87/87/67/1222878767.db2.gz HIADVJYNKVBFIR-UHFFFAOYSA-N 2 2 373.501 0.579 20 0 FCADLP CCOC(=O)c1c[nH]c2nc[nH+]c(NCc3nnc4n3CCC[NH2+]C4)c12 ZINC001155424609 1223035209 /nfs/dbraw/zinc/03/52/09/1223035209.db2.gz KCHPGDCVYYMLKO-UHFFFAOYSA-N 2 2 356.390 0.832 20 0 FCADLP O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)N3c2ccc(N3CC[NH2+]CC3)c[nH+]2)N1 ZINC001157519710 1223078217 /nfs/dbraw/zinc/07/82/17/1223078217.db2.gz AECZSULGZLGKKF-NCNPBXTDSA-N 2 2 356.430 0.201 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001157999327 1223086251 /nfs/dbraw/zinc/08/62/51/1223086251.db2.gz QPZBRUKRNBQMMV-MRXNPFEDSA-N 2 2 360.458 0.357 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC001157998999 1223086564 /nfs/dbraw/zinc/08/65/64/1223086564.db2.gz MBDPAYVRYUYUKQ-ZIAGYGMSSA-N 2 2 373.375 0.939 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001157999757 1223086630 /nfs/dbraw/zinc/08/66/30/1223086630.db2.gz UDUJNXFEBVYQQI-SJORKVTESA-N 2 2 373.453 0.700 20 0 FCADLP COC(=O)[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CCN1C(C)=O ZINC001158013507 1223086921 /nfs/dbraw/zinc/08/69/21/1223086921.db2.gz FBFQKPRPFXDKLU-OAHLLOKOSA-N 2 2 361.446 0.044 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001158143623 1223090030 /nfs/dbraw/zinc/09/00/30/1223090030.db2.gz XSNFIDDCHRFTNF-QYZOEREBSA-N 3 2 372.513 0.863 20 0 FCADLP CCOC(=O)C1CCN(c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nn2)CC1 ZINC001158206637 1223090823 /nfs/dbraw/zinc/09/08/23/1223090823.db2.gz WQGCCIRYSPWZTG-CQSZACIVSA-N 2 2 374.445 0.304 20 0 FCADLP COc1ccnc(O[C@H]2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)n1 ZINC001158438071 1223097776 /nfs/dbraw/zinc/09/77/76/1223097776.db2.gz AVRWQGZTQMGONZ-HNNXBMFYSA-N 2 2 356.430 0.948 20 0 FCADLP CCOC(=O)c1nc2n(n1)CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001158431258 1223097871 /nfs/dbraw/zinc/09/78/71/1223097871.db2.gz OUHZIIFQKYGYPU-ZDUSSCGKSA-N 2 2 358.402 0.069 20 0 FCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158855932 1223111441 /nfs/dbraw/zinc/11/14/41/1223111441.db2.gz LXAHRHUTWLBMGG-INIZCTEOSA-N 2 2 362.478 0.084 20 0 FCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001158855932 1223111443 /nfs/dbraw/zinc/11/14/43/1223111443.db2.gz LXAHRHUTWLBMGG-INIZCTEOSA-N 2 2 362.478 0.084 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)CC2 ZINC001158890920 1223112388 /nfs/dbraw/zinc/11/23/88/1223112388.db2.gz QJGSVWKHSUSJEO-KRWDZBQOSA-N 3 2 373.501 0.462 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)CC2 ZINC001158890920 1223112391 /nfs/dbraw/zinc/11/23/91/1223112391.db2.gz QJGSVWKHSUSJEO-KRWDZBQOSA-N 3 2 373.501 0.462 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)cc1 ZINC001158968031 1223114185 /nfs/dbraw/zinc/11/41/85/1223114185.db2.gz JYGJTSNFKZBPCN-BBWFWOEESA-N 2 2 368.441 0.165 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159036149 1223116198 /nfs/dbraw/zinc/11/61/98/1223116198.db2.gz DRCRYBYWIKWGHA-QGZVFWFLSA-N 2 2 363.458 0.852 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159036149 1223116200 /nfs/dbraw/zinc/11/62/00/1223116200.db2.gz DRCRYBYWIKWGHA-QGZVFWFLSA-N 2 2 363.458 0.852 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001159075254 1223116692 /nfs/dbraw/zinc/11/66/92/1223116692.db2.gz FLCCGPDNPQMVAP-FCEWJHQRSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001159075181 1223116697 /nfs/dbraw/zinc/11/66/97/1223116697.db2.gz DNSMEACHDSQPKS-JEWRLFTDSA-N 2 2 367.490 0.629 20 0 FCADLP Cc1cccc(N2CCC[C@]3(CN(C(=O)[C@@H]4C[C@@H]([NH3+])C[NH2+]4)CCO3)C2)c1 ZINC001159291112 1223123093 /nfs/dbraw/zinc/12/30/93/1223123093.db2.gz KUTKSVWPEKUDIG-IMFGXOCKSA-N 2 2 358.486 0.882 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159284492 1223123236 /nfs/dbraw/zinc/12/32/36/1223123236.db2.gz YWXMOIABPACERW-YJBOKZPZSA-N 3 2 372.473 0.772 20 0 FCADLP Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001159376155 1223125652 /nfs/dbraw/zinc/12/56/52/1223125652.db2.gz VIAWTNBUENQFSU-XIRDDKMYSA-N 2 2 370.457 0.147 20 0 FCADLP [NH3+][C@H](C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C1CCC(O)CC1 ZINC001159514386 1223129498 /nfs/dbraw/zinc/12/94/98/1223129498.db2.gz DILOERAUBIUSSW-KVULBXGLSA-N 2 2 373.461 0.134 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001159586716 1223130332 /nfs/dbraw/zinc/13/03/32/1223130332.db2.gz WYHYABKMGKCGJA-WBVHZDCISA-N 2 2 372.473 0.572 20 0 FCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159632859 1223131687 /nfs/dbraw/zinc/13/16/87/1223131687.db2.gz BKUFXUIOQQHQQV-INIZCTEOSA-N 2 2 372.473 0.855 20 0 FCADLP O=C(C1CC[NH2+]CC1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634353 1223131834 /nfs/dbraw/zinc/13/18/34/1223131834.db2.gz XRLYBASOVOHVEO-UHFFFAOYSA-N 2 2 356.430 0.220 20 0 FCADLP [NH3+]C1(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)CC[NH2+]CC1 ZINC001159746590 1223135486 /nfs/dbraw/zinc/13/54/86/1223135486.db2.gz HCJFPDHBYYLBQX-DLBZAZTESA-N 2 2 372.469 0.067 20 0 FCADLP O=C(N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159905139 1223139597 /nfs/dbraw/zinc/13/95/97/1223139597.db2.gz KEVPBGFUCOXTKK-QNDJGXFYSA-N 2 2 358.442 0.172 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]12 ZINC001159990867 1223141955 /nfs/dbraw/zinc/14/19/55/1223141955.db2.gz IQMTWQHAFOCFCP-PNYFIKQUSA-N 2 2 356.470 0.324 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001160156234 1223147434 /nfs/dbraw/zinc/14/74/34/1223147434.db2.gz OLWLHDKGORESBW-QGZVFWFLSA-N 2 2 367.453 0.761 20 0 FCADLP Cn1cc(N2C[C@@H]3CN(C(=O)c4ccc([C@@H]([NH3+])C[NH3+])cc4)C[C@@H]3C2=O)cn1 ZINC001160219261 1223150321 /nfs/dbraw/zinc/15/03/21/1223150321.db2.gz VUXIOZVLHHNFKZ-XIRDDKMYSA-N 2 2 368.441 0.114 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)C1 ZINC001160231623 1223150824 /nfs/dbraw/zinc/15/08/24/1223150824.db2.gz SIZGIPFQCRDFEH-WWGRRREGSA-N 2 2 366.416 0.230 20 0 FCADLP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)[C@@H]2C1 ZINC001160300276 1223153576 /nfs/dbraw/zinc/15/35/76/1223153576.db2.gz NQHLJPQQDSISQL-WNRNVDISSA-N 2 2 374.485 0.789 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001160424384 1223159273 /nfs/dbraw/zinc/15/92/73/1223159273.db2.gz SKVVLPSXUDZSMX-VINWQNLFSA-N 3 2 357.502 0.687 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001160424384 1223159276 /nfs/dbraw/zinc/15/92/76/1223159276.db2.gz SKVVLPSXUDZSMX-VINWQNLFSA-N 3 2 357.502 0.687 20 0 FCADLP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160434826 1223159614 /nfs/dbraw/zinc/15/96/14/1223159614.db2.gz HOFBYRSJFGDLML-KXBFYZLASA-N 2 2 368.441 0.789 20 0 FCADLP COC(=O)c1ccc(CN2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)cc1 ZINC001160569894 1223165281 /nfs/dbraw/zinc/16/52/81/1223165281.db2.gz XOXXRWIJVNORQP-FXAWDEMLSA-N 2 2 372.469 0.069 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cccc(N2CC[NH+](C)CC2)n1 ZINC001160695836 1223168613 /nfs/dbraw/zinc/16/86/13/1223168613.db2.gz IHGPHLFNUHRYBB-OAHLLOKOSA-N 2 2 358.446 0.763 20 0 FCADLP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160709651 1223169165 /nfs/dbraw/zinc/16/91/65/1223169165.db2.gz HRMITOHLYKRTHZ-NQIIRXRSSA-N 3 2 354.498 0.987 20 0 FCADLP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160709651 1223169168 /nfs/dbraw/zinc/16/91/68/1223169168.db2.gz HRMITOHLYKRTHZ-NQIIRXRSSA-N 3 2 354.498 0.987 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH2+]1 ZINC001160780451 1223171809 /nfs/dbraw/zinc/17/18/09/1223171809.db2.gz RWAKZRAEWLTYQA-FORWCCJISA-N 2 2 357.454 0.527 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C[C@H]1C2 ZINC001160800238 1223173840 /nfs/dbraw/zinc/17/38/40/1223173840.db2.gz RJLSSABPKPZLDQ-JZBZHOAESA-N 3 2 372.469 0.116 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC001160940146 1223181025 /nfs/dbraw/zinc/18/10/25/1223181025.db2.gz JXIWVNIUGHOSNT-KRWDZBQOSA-N 2 2 353.426 0.638 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001161274289 1223193687 /nfs/dbraw/zinc/19/36/87/1223193687.db2.gz QGQRSCHEQHFJDA-IKGGRYGDSA-N 2 2 360.458 0.703 20 0 FCADLP O=C(N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161316440 1223195692 /nfs/dbraw/zinc/19/56/92/1223195692.db2.gz KSVGXPKBRCNUCB-ARGWCVDVSA-N 2 2 372.444 0.724 20 0 FCADLP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161328942 1223195698 /nfs/dbraw/zinc/19/56/98/1223195698.db2.gz OIEPAGZSSIGZTF-UZLBHIALSA-N 2 2 356.470 0.701 20 0 FCADLP CS(=O)(=O)c1nc2c(c(NC3CN(c4cccc[nH+]4)C3)n1)CC[NH2+]CC2 ZINC001161319094 1223195941 /nfs/dbraw/zinc/19/59/41/1223195941.db2.gz KFJAGFDPLCHXCU-UHFFFAOYSA-N 2 2 374.470 0.264 20 0 FCADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378737 1223197069 /nfs/dbraw/zinc/19/70/69/1223197069.db2.gz MIBXFUOXUOZMPF-ROUUACIJSA-N 3 2 374.485 0.471 20 0 FCADLP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377885 1223197176 /nfs/dbraw/zinc/19/71/76/1223197176.db2.gz JCJTUSLMBBRTAA-RDJZCZTQSA-N 3 2 366.506 0.604 20 0 FCADLP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377887 1223197272 /nfs/dbraw/zinc/19/72/72/1223197272.db2.gz JCJTUSLMBBRTAA-WBVHZDCISA-N 3 2 366.506 0.604 20 0 FCADLP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)cc1 ZINC001161379816 1223197938 /nfs/dbraw/zinc/19/79/38/1223197938.db2.gz QRKAZNAHPZWTER-MJGOQNOKSA-N 3 2 360.502 0.979 20 0 FCADLP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380835 1223198106 /nfs/dbraw/zinc/19/81/06/1223198106.db2.gz VYNKJAOKYJRWNC-LPHOPBHVSA-N 3 2 358.486 0.906 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161573753 1223204932 /nfs/dbraw/zinc/20/49/32/1223204932.db2.gz CMYOXSOLRXLXNM-ULQDDVLXSA-N 2 2 369.473 0.440 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161573753 1223204933 /nfs/dbraw/zinc/20/49/33/1223204933.db2.gz CMYOXSOLRXLXNM-ULQDDVLXSA-N 2 2 369.473 0.440 20 0 FCADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1cc(-n2cc[nH+]c2)ccn1 ZINC001165500754 1223246927 /nfs/dbraw/zinc/24/69/27/1223246927.db2.gz GNFBKNPKDXPDCF-UHFFFAOYSA-N 2 2 374.426 0.867 20 0 FCADLP c1cn(Cc2noc3c2CN(c2cncc(N4CC[NH2+]CC4)n2)CC3)c[nH+]1 ZINC001165548659 1223248597 /nfs/dbraw/zinc/24/85/97/1223248597.db2.gz AYDYNIPYAGVNOU-UHFFFAOYSA-N 2 2 366.429 0.682 20 0 FCADLP c1cn(Cc2nnn3c2CN(c2ccc4c(n2)CC[NH2+]C4)CCC3)c[nH+]1 ZINC001165881198 1223260643 /nfs/dbraw/zinc/26/06/43/1223260643.db2.gz DDNSQPMCXGFGMX-UHFFFAOYSA-N 2 2 350.430 0.974 20 0 FCADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC4CC3(C(=O)N3CCCC3)C4)n2)CC1 ZINC001165995129 1223264736 /nfs/dbraw/zinc/26/47/36/1223264736.db2.gz AFNJNTWHVXCZGJ-UHFFFAOYSA-N 2 2 356.474 0.995 20 0 FCADLP COCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001166315630 1223272350 /nfs/dbraw/zinc/27/23/50/1223272350.db2.gz NPLBFETYJSQEME-SJORKVTESA-N 2 2 369.506 0.389 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001205226629 1223318784 /nfs/dbraw/zinc/31/87/84/1223318784.db2.gz ZNVIVOOPTWXUHC-CGTJXYLNSA-N 2 2 358.442 0.338 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001205226629 1223318787 /nfs/dbraw/zinc/31/87/87/1223318787.db2.gz ZNVIVOOPTWXUHC-CGTJXYLNSA-N 2 2 358.442 0.338 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205519312 1223330315 /nfs/dbraw/zinc/33/03/15/1223330315.db2.gz GDDFEQCZQNOVSJ-DLBZAZTESA-N 2 2 362.474 0.595 20 0 FCADLP Cn1cnc(C[N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)c1 ZINC001206221603 1223350238 /nfs/dbraw/zinc/35/02/38/1223350238.db2.gz KXXDIRIZJCITOZ-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1cnc(C[N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)c1 ZINC001206221603 1223350240 /nfs/dbraw/zinc/35/02/40/1223350240.db2.gz KXXDIRIZJCITOZ-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)n1C ZINC001206794038 1223371354 /nfs/dbraw/zinc/37/13/54/1223371354.db2.gz UHLIVJUBMWDOCX-NXHRZFHOSA-N 2 2 362.474 0.814 20 0 FCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCOCC3)C2)n1C ZINC001206794038 1223371357 /nfs/dbraw/zinc/37/13/57/1223371357.db2.gz UHLIVJUBMWDOCX-NXHRZFHOSA-N 2 2 362.474 0.814 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000977922127 1248675992 /nfs/dbraw/zinc/67/59/92/1248675992.db2.gz DFKOCOYHISRLKW-IVMMDQJWSA-N 2 2 363.462 0.039 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000977922127 1248676005 /nfs/dbraw/zinc/67/60/05/1248676005.db2.gz DFKOCOYHISRLKW-IVMMDQJWSA-N 2 2 363.462 0.039 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955042 1223394411 /nfs/dbraw/zinc/39/44/11/1223394411.db2.gz HURXPBKGJWZQIV-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955042 1223394413 /nfs/dbraw/zinc/39/44/13/1223394413.db2.gz HURXPBKGJWZQIV-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955042 1223394415 /nfs/dbraw/zinc/39/44/15/1223394415.db2.gz HURXPBKGJWZQIV-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955042 1223394416 /nfs/dbraw/zinc/39/44/16/1223394416.db2.gz HURXPBKGJWZQIV-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545456 1223454493 /nfs/dbraw/zinc/45/44/93/1223454493.db2.gz WNMITHUWHOKDCN-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545456 1223454496 /nfs/dbraw/zinc/45/44/96/1223454496.db2.gz WNMITHUWHOKDCN-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547422 1223454827 /nfs/dbraw/zinc/45/48/27/1223454827.db2.gz WBCYRONCQDDBLE-NXHRZFHOSA-N 2 2 363.506 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547422 1223454830 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FEPQOHVKZZVXND-RBSFLKMASA-N 2 2 357.458 0.668 20 0 FCADLP CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)C12CC[NH+](CC1)C2 ZINC000978050614 1248695501 /nfs/dbraw/zinc/69/55/01/1248695501.db2.gz FEPQOHVKZZVXND-RBSFLKMASA-N 2 2 357.458 0.668 20 0 FCADLP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000166795811 1223650925 /nfs/dbraw/zinc/65/09/25/1223650925.db2.gz FJGYUCAJBGZKBM-JKSUJKDBSA-N 2 2 359.474 0.754 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977577 1223660552 /nfs/dbraw/zinc/66/05/52/1223660552.db2.gz MCRUZYINFLLKQE-UKPHBRMFSA-N 2 2 359.430 0.325 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977577 1223660557 /nfs/dbraw/zinc/66/05/57/1223660557.db2.gz MCRUZYINFLLKQE-UKPHBRMFSA-N 2 2 359.430 0.325 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179054 1223673127 /nfs/dbraw/zinc/67/31/27/1223673127.db2.gz GZWYNQZQLRIHOX-RBSFLKMASA-N 2 2 367.494 0.272 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179054 1223673132 /nfs/dbraw/zinc/67/31/32/1223673132.db2.gz GZWYNQZQLRIHOX-RBSFLKMASA-N 2 2 367.494 0.272 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179054 1223673135 /nfs/dbraw/zinc/67/31/35/1223673135.db2.gz GZWYNQZQLRIHOX-RBSFLKMASA-N 2 2 367.494 0.272 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001210179054 1223673138 /nfs/dbraw/zinc/67/31/38/1223673138.db2.gz GZWYNQZQLRIHOX-RBSFLKMASA-N 2 2 367.494 0.272 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717685 1223704599 /nfs/dbraw/zinc/70/45/99/1223704599.db2.gz JTCCZBZVRFBOMX-HYVNUMGLSA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717685 1223704603 /nfs/dbraw/zinc/70/46/03/1223704603.db2.gz JTCCZBZVRFBOMX-HYVNUMGLSA-N 2 2 360.462 0.047 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1)c1ccco1 ZINC001211031890 1223719857 /nfs/dbraw/zinc/71/98/57/1223719857.db2.gz PKUNHVLVUDXFBP-BZUAXINKSA-N 2 2 362.474 0.989 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1)c1ccco1 ZINC001211031890 1223719860 /nfs/dbraw/zinc/71/98/60/1223719860.db2.gz PKUNHVLVUDXFBP-BZUAXINKSA-N 2 2 362.474 0.989 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001211046799 1223721340 /nfs/dbraw/zinc/72/13/40/1223721340.db2.gz VRRVREAEJZZTAO-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)n1 ZINC001211046799 1223721343 /nfs/dbraw/zinc/72/13/43/1223721343.db2.gz VRRVREAEJZZTAO-JFIYKMOQSA-N 2 2 363.506 0.808 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211047082 1223721597 /nfs/dbraw/zinc/72/15/97/1223721597.db2.gz YUSKOKLPKFDPQP-IJEWVQPXSA-N 2 2 366.462 0.588 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)on1 ZINC001211047082 1223721598 /nfs/dbraw/zinc/72/15/98/1223721598.db2.gz YUSKOKLPKFDPQP-IJEWVQPXSA-N 2 2 366.462 0.588 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211045778 1223722066 /nfs/dbraw/zinc/72/20/66/1223722066.db2.gz ASKZTFSUVLOJED-IIDMSEBBSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cn1 ZINC001211045778 1223722069 /nfs/dbraw/zinc/72/20/69/1223722069.db2.gz ASKZTFSUVLOJED-IIDMSEBBSA-N 2 2 361.490 0.690 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276693906 1223723217 /nfs/dbraw/zinc/72/32/17/1223723217.db2.gz OUMQNBBOJVPQKE-MAUKXSAKSA-N 2 2 362.430 0.177 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276693906 1223723220 /nfs/dbraw/zinc/72/32/20/1223723220.db2.gz OUMQNBBOJVPQKE-MAUKXSAKSA-N 2 2 362.430 0.177 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367171 1223737846 /nfs/dbraw/zinc/73/78/46/1223737846.db2.gz OUFSCAHHQCXXBP-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367171 1223737851 /nfs/dbraw/zinc/73/78/51/1223737851.db2.gz OUFSCAHHQCXXBP-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211367171 1223737853 /nfs/dbraw/zinc/73/78/53/1223737853.db2.gz OUFSCAHHQCXXBP-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211367171 1223737856 /nfs/dbraw/zinc/73/78/56/1223737856.db2.gz OUFSCAHHQCXXBP-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447691 1223742282 /nfs/dbraw/zinc/74/22/82/1223742282.db2.gz BQMVKUKTIHSTJN-NXHRZFHOSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC001211447691 1223742285 /nfs/dbraw/zinc/74/22/85/1223742285.db2.gz BQMVKUKTIHSTJN-NXHRZFHOSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211447691 1223742287 /nfs/dbraw/zinc/74/22/87/1223742287.db2.gz BQMVKUKTIHSTJN-NXHRZFHOSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]1C[NH+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211447691 1223742290 /nfs/dbraw/zinc/74/22/90/1223742290.db2.gz BQMVKUKTIHSTJN-NXHRZFHOSA-N 2 2 358.486 0.786 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329001 1223785331 /nfs/dbraw/zinc/78/53/31/1223785331.db2.gz MHCFJNUQZHNSEV-KURKYZTESA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329001 1223785334 /nfs/dbraw/zinc/78/53/34/1223785334.db2.gz MHCFJNUQZHNSEV-KURKYZTESA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329001 1223785337 /nfs/dbraw/zinc/78/53/37/1223785337.db2.gz MHCFJNUQZHNSEV-KURKYZTESA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001213329001 1223785340 /nfs/dbraw/zinc/78/53/40/1223785340.db2.gz MHCFJNUQZHNSEV-KURKYZTESA-N 2 2 371.522 0.584 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)c1 ZINC001213337780 1223787684 /nfs/dbraw/zinc/78/76/84/1223787684.db2.gz AXBBMWHGRQSTNC-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](OC)C2)c1 ZINC001213337780 1223787686 /nfs/dbraw/zinc/78/76/86/1223787686.db2.gz AXBBMWHGRQSTNC-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346407 1223788643 /nfs/dbraw/zinc/78/86/43/1223788643.db2.gz LNEKRLCXISLIKJ-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346407 1223788646 /nfs/dbraw/zinc/78/86/46/1223788646.db2.gz LNEKRLCXISLIKJ-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348698 1223789143 /nfs/dbraw/zinc/78/91/43/1223789143.db2.gz RZCJNTFKEIHHRD-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348698 1223789147 /nfs/dbraw/zinc/78/91/47/1223789147.db2.gz RZCJNTFKEIHHRD-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001213371113 1223790993 /nfs/dbraw/zinc/79/09/93/1223790993.db2.gz SDLCQLTZYFLEPF-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001213371113 1223790995 /nfs/dbraw/zinc/79/09/95/1223790995.db2.gz SDLCQLTZYFLEPF-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001213371113 1223790997 /nfs/dbraw/zinc/79/09/97/1223790997.db2.gz SDLCQLTZYFLEPF-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001213371113 1223791000 /nfs/dbraw/zinc/79/10/00/1223791000.db2.gz SDLCQLTZYFLEPF-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC)[NH+](C)C ZINC001213458393 1223801594 /nfs/dbraw/zinc/80/15/94/1223801594.db2.gz WHSPGSPLUUYASA-IXDOHACOSA-N 2 2 370.538 0.787 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC)[NH+](C)C ZINC001213458393 1223801596 /nfs/dbraw/zinc/80/15/96/1223801596.db2.gz WHSPGSPLUUYASA-IXDOHACOSA-N 2 2 370.538 0.787 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001213499838 1223806020 /nfs/dbraw/zinc/80/60/20/1223806020.db2.gz CRXVWLOJCORGIZ-DJIMGWMZSA-N 2 2 360.462 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001213499838 1223806022 /nfs/dbraw/zinc/80/60/22/1223806022.db2.gz CRXVWLOJCORGIZ-DJIMGWMZSA-N 2 2 360.462 0.626 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213598494 1223820403 /nfs/dbraw/zinc/82/04/03/1223820403.db2.gz HNGHOCJXHBUPOL-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1OC ZINC001213598494 1223820404 /nfs/dbraw/zinc/82/04/04/1223820404.db2.gz HNGHOCJXHBUPOL-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213718951 1223838880 /nfs/dbraw/zinc/83/88/80/1223838880.db2.gz HPDBFGGLCZXZFO-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213718951 1223838881 /nfs/dbraw/zinc/83/88/81/1223838881.db2.gz HPDBFGGLCZXZFO-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213718951 1223838883 /nfs/dbraw/zinc/83/88/83/1223838883.db2.gz HPDBFGGLCZXZFO-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213718951 1223838885 /nfs/dbraw/zinc/83/88/85/1223838885.db2.gz HPDBFGGLCZXZFO-DJIMGWMZSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747517 1223843414 /nfs/dbraw/zinc/84/34/14/1223843414.db2.gz LHEBKXQKEDRFBW-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213747517 1223843416 /nfs/dbraw/zinc/84/34/16/1223843416.db2.gz LHEBKXQKEDRFBW-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802232 1223852452 /nfs/dbraw/zinc/85/24/52/1223852452.db2.gz OHFRDYGBYHWFRB-QZTJIDSGSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802232 1223852454 /nfs/dbraw/zinc/85/24/54/1223852454.db2.gz OHFRDYGBYHWFRB-QZTJIDSGSA-N 2 2 364.490 0.985 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887949 1223868165 /nfs/dbraw/zinc/86/81/65/1223868165.db2.gz IOJVOGPZKMOQNA-KZNAEPCWSA-N 2 2 369.506 0.339 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887949 1223868167 /nfs/dbraw/zinc/86/81/67/1223868167.db2.gz IOJVOGPZKMOQNA-KZNAEPCWSA-N 2 2 369.506 0.339 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887949 1223868169 /nfs/dbraw/zinc/86/81/69/1223868169.db2.gz IOJVOGPZKMOQNA-KZNAEPCWSA-N 2 2 369.506 0.339 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2OC)C1 ZINC001213887949 1223868172 /nfs/dbraw/zinc/86/81/72/1223868172.db2.gz IOJVOGPZKMOQNA-KZNAEPCWSA-N 2 2 369.506 0.339 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916833 1223871812 /nfs/dbraw/zinc/87/18/12/1223871812.db2.gz MMRIREPGRYLWFJ-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916833 1223871815 /nfs/dbraw/zinc/87/18/15/1223871815.db2.gz MMRIREPGRYLWFJ-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927503 1223874101 /nfs/dbraw/zinc/87/41/01/1223874101.db2.gz MZAWVOBWTFWJMM-IAGOWNOFSA-N 2 2 370.538 0.787 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927503 1223874103 /nfs/dbraw/zinc/87/41/03/1223874103.db2.gz MZAWVOBWTFWJMM-IAGOWNOFSA-N 2 2 370.538 0.787 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927503 1223874105 /nfs/dbraw/zinc/87/41/05/1223874105.db2.gz MZAWVOBWTFWJMM-IAGOWNOFSA-N 2 2 370.538 0.787 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927503 1223874106 /nfs/dbraw/zinc/87/41/06/1223874106.db2.gz MZAWVOBWTFWJMM-IAGOWNOFSA-N 2 2 370.538 0.787 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929703 1223875135 /nfs/dbraw/zinc/87/51/35/1223875135.db2.gz HSVBKQQAMXFPDM-GVDBMIGSSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929703 1223875136 /nfs/dbraw/zinc/87/51/36/1223875136.db2.gz HSVBKQQAMXFPDM-GVDBMIGSSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929703 1223875139 /nfs/dbraw/zinc/87/51/39/1223875139.db2.gz HSVBKQQAMXFPDM-GVDBMIGSSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929703 1223875140 /nfs/dbraw/zinc/87/51/40/1223875140.db2.gz HSVBKQQAMXFPDM-GVDBMIGSSA-N 2 2 370.538 0.693 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929794 1223875231 /nfs/dbraw/zinc/87/52/31/1223875231.db2.gz LMGDUWPSEXKQBR-IAGOWNOFSA-N 2 2 362.474 0.441 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929794 1223875232 /nfs/dbraw/zinc/87/52/32/1223875232.db2.gz LMGDUWPSEXKQBR-IAGOWNOFSA-N 2 2 362.474 0.441 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929794 1223875234 /nfs/dbraw/zinc/87/52/34/1223875234.db2.gz LMGDUWPSEXKQBR-IAGOWNOFSA-N 2 2 362.474 0.441 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929794 1223875235 /nfs/dbraw/zinc/87/52/35/1223875235.db2.gz LMGDUWPSEXKQBR-IAGOWNOFSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975276 1223880037 /nfs/dbraw/zinc/88/00/37/1223880037.db2.gz AAWAUUWGFDGZOS-IXDOHACOSA-N 2 2 362.474 0.198 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975276 1223880040 /nfs/dbraw/zinc/88/00/40/1223880040.db2.gz AAWAUUWGFDGZOS-IXDOHACOSA-N 2 2 362.474 0.198 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975276 1223880042 /nfs/dbraw/zinc/88/00/42/1223880042.db2.gz AAWAUUWGFDGZOS-IXDOHACOSA-N 2 2 362.474 0.198 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975276 1223880043 /nfs/dbraw/zinc/88/00/43/1223880043.db2.gz AAWAUUWGFDGZOS-IXDOHACOSA-N 2 2 362.474 0.198 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C)C(=O)N(C)C ZINC001214672255 1223930691 /nfs/dbraw/zinc/93/06/91/1223930691.db2.gz GVPMPXSYBWKJRN-IJEWVQPXSA-N 2 2 361.490 0.675 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672713 1223931062 /nfs/dbraw/zinc/93/10/62/1223931062.db2.gz UMDKWHCZUWTQQJ-GDBMZVCRSA-N 2 2 361.490 0.723 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001214949857 1223958400 /nfs/dbraw/zinc/95/84/00/1223958400.db2.gz DDIQRVNMOXYPNZ-CZUORRHYSA-N 2 2 360.458 0.595 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(=O)NC1CC1 ZINC001215024687 1223965075 /nfs/dbraw/zinc/96/50/75/1223965075.db2.gz OUDOSEUJZGEJDY-XHBSWPGZSA-N 2 2 363.462 0.453 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215251039 1223985718 /nfs/dbraw/zinc/98/57/18/1223985718.db2.gz LAZNXZFIABONEA-IUODEOHRSA-N 2 2 370.413 0.117 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215269313 1223987416 /nfs/dbraw/zinc/98/74/16/1223987416.db2.gz VKLFJALWFVJUIL-ZIAGYGMSSA-N 2 2 357.418 0.138 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001215585690 1224007691 /nfs/dbraw/zinc/00/76/91/1224007691.db2.gz KZMKNQUQPNXXJV-KLHDSHLOSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001215586247 1224007799 /nfs/dbraw/zinc/00/77/99/1224007799.db2.gz YSQWHIITEBNEAY-MWQQHZPXSA-N 2 2 373.501 0.829 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC001215681350 1224012393 /nfs/dbraw/zinc/01/23/93/1224012393.db2.gz WBLIDCISODSBSD-CRAIPNDOSA-N 2 2 369.469 0.748 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001215684749 1224012700 /nfs/dbraw/zinc/01/27/00/1224012700.db2.gz AMCYZESXNTWLKT-DVOMOZLQSA-N 2 2 359.430 0.687 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001216061872 1224031983 /nfs/dbraw/zinc/03/19/83/1224031983.db2.gz QSZHWRYBRJOKQE-UKRRQHHQSA-N 2 2 356.430 0.100 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216184938 1224037940 /nfs/dbraw/zinc/03/79/40/1224037940.db2.gz FEFHMLKRSIEZSB-CZUORRHYSA-N 2 2 356.430 0.406 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216362721 1224046517 /nfs/dbraw/zinc/04/65/17/1224046517.db2.gz ZWZLEOSVOUHABV-CXAGYDPISA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001216988341 1224083037 /nfs/dbraw/zinc/08/30/37/1224083037.db2.gz QITHENMOYLJWQV-CRAIPNDOSA-N 2 2 356.474 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001216988341 1224083040 /nfs/dbraw/zinc/08/30/40/1224083040.db2.gz QITHENMOYLJWQV-CRAIPNDOSA-N 2 2 356.474 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1nncn1C ZINC001216980021 1224083481 /nfs/dbraw/zinc/08/34/81/1224083481.db2.gz FQXJMCHULAZAER-NVXWUHKLSA-N 2 2 356.474 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]Cc1nncn1C ZINC001216980021 1224083484 /nfs/dbraw/zinc/08/34/84/1224083484.db2.gz FQXJMCHULAZAER-NVXWUHKLSA-N 2 2 356.474 0.884 20 0 FCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719177 1226171670 /nfs/dbraw/zinc/17/16/70/1226171670.db2.gz LBTBLTQHWOEKBX-CRAIPNDOSA-N 2 2 364.446 0.159 20 0 FCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277719177 1226171672 /nfs/dbraw/zinc/17/16/72/1226171672.db2.gz LBTBLTQHWOEKBX-CRAIPNDOSA-N 2 2 364.446 0.159 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978297177 1248725440 /nfs/dbraw/zinc/72/54/40/1248725440.db2.gz WMHQFEYZAVQQQN-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978297177 1248725447 /nfs/dbraw/zinc/72/54/47/1248725447.db2.gz WMHQFEYZAVQQQN-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978297177 1248725457 /nfs/dbraw/zinc/72/54/57/1248725457.db2.gz WMHQFEYZAVQQQN-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978297177 1248725468 /nfs/dbraw/zinc/72/54/68/1248725468.db2.gz WMHQFEYZAVQQQN-HHARLNAUSA-N 2 2 354.458 0.783 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)on1 ZINC000978320092 1248728991 /nfs/dbraw/zinc/72/89/91/1248728991.db2.gz LICHXTDQOFZKHS-CSOUEMRRSA-N 2 2 364.446 0.196 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)on1 ZINC000978320092 1248729002 /nfs/dbraw/zinc/72/90/02/1248729002.db2.gz LICHXTDQOFZKHS-CSOUEMRRSA-N 2 2 364.446 0.196 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)on1 ZINC000978320092 1248729007 /nfs/dbraw/zinc/72/90/07/1248729007.db2.gz LICHXTDQOFZKHS-CSOUEMRRSA-N 2 2 364.446 0.196 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)on1 ZINC000978320092 1248729014 /nfs/dbraw/zinc/72/90/14/1248729014.db2.gz LICHXTDQOFZKHS-CSOUEMRRSA-N 2 2 364.446 0.196 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)nn1C ZINC000978353150 1248731700 /nfs/dbraw/zinc/73/17/00/1248731700.db2.gz KVGSVSBEBVSUNG-FXXCCUJSSA-N 2 2 361.490 0.242 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)nn1C ZINC000978353150 1248731706 /nfs/dbraw/zinc/73/17/06/1248731706.db2.gz KVGSVSBEBVSUNG-FXXCCUJSSA-N 2 2 361.490 0.242 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)nn1C ZINC000978353150 1248731712 /nfs/dbraw/zinc/73/17/12/1248731712.db2.gz KVGSVSBEBVSUNG-FXXCCUJSSA-N 2 2 361.490 0.242 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)nn1C ZINC000978353150 1248731717 /nfs/dbraw/zinc/73/17/17/1248731717.db2.gz KVGSVSBEBVSUNG-FXXCCUJSSA-N 2 2 361.490 0.242 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000978507989 1248766890 /nfs/dbraw/zinc/76/68/90/1248766890.db2.gz KEQZTJJXCZINHW-DZVNLGKHSA-N 2 2 369.481 0.520 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000978507989 1248766901 /nfs/dbraw/zinc/76/69/01/1248766901.db2.gz KEQZTJJXCZINHW-DZVNLGKHSA-N 2 2 369.481 0.520 20 0 FCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000983942830 1248791406 /nfs/dbraw/zinc/79/14/06/1248791406.db2.gz VOWDDLZARBBEDT-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000983942830 1248791412 /nfs/dbraw/zinc/79/14/12/1248791412.db2.gz VOWDDLZARBBEDT-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985436546 1248920852 /nfs/dbraw/zinc/92/08/52/1248920852.db2.gz CVTSXDPJWIVGRY-GDBMZVCRSA-N 2 2 359.474 0.562 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985436546 1248920863 /nfs/dbraw/zinc/92/08/63/1248920863.db2.gz CVTSXDPJWIVGRY-GDBMZVCRSA-N 2 2 359.474 0.562 20 0 FCADLP Cc1nnc([C@@H](C)[N@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494346 1248942406 /nfs/dbraw/zinc/94/24/06/1248942406.db2.gz DWFOMOCBDJKYJL-XJKCOSOUSA-N 2 2 364.494 0.816 20 0 FCADLP Cc1nnc([C@@H](C)[N@@H+](C)C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494346 1248942420 /nfs/dbraw/zinc/94/24/20/1248942420.db2.gz DWFOMOCBDJKYJL-XJKCOSOUSA-N 2 2 364.494 0.816 20 0 FCADLP Cc1nnc([C@@H](C)[NH+](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494346 1248942429 /nfs/dbraw/zinc/94/24/29/1248942429.db2.gz DWFOMOCBDJKYJL-XJKCOSOUSA-N 2 2 364.494 0.816 20 0 FCADLP Cc1nnc([C@@H](C)[NH+](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC000985494346 1248942438 /nfs/dbraw/zinc/94/24/38/1248942438.db2.gz DWFOMOCBDJKYJL-XJKCOSOUSA-N 2 2 364.494 0.816 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)CCC1 ZINC000993318000 1249461881 /nfs/dbraw/zinc/46/18/81/1249461881.db2.gz SSGJILWQFDVDOE-KBXCAEBGSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)CC1 ZINC000993317983 1249462763 /nfs/dbraw/zinc/46/27/63/1249462763.db2.gz YDTCTBZPLSZBQP-HNAYVOBHSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000993492811 1249586306 /nfs/dbraw/zinc/58/63/06/1249586306.db2.gz SAEPRHPIHPESLJ-RIFZZMRRSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993500190 1249592580 /nfs/dbraw/zinc/59/25/80/1249592580.db2.gz FELXYESDQHWOPR-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1 ZINC000993500190 1249592588 /nfs/dbraw/zinc/59/25/88/1249592588.db2.gz FELXYESDQHWOPR-ZRGWGRIASA-N 2 2 359.474 0.601 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000993571873 1249713597 /nfs/dbraw/zinc/71/35/97/1249713597.db2.gz KFXBZJRLCCCVHK-YLFCFFPRSA-N 2 2 373.501 0.971 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000993571873 1249713602 /nfs/dbraw/zinc/71/36/02/1249713602.db2.gz KFXBZJRLCCCVHK-YLFCFFPRSA-N 2 2 373.501 0.971 20 0 FCADLP CC(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000993586674 1249743284 /nfs/dbraw/zinc/74/32/84/1249743284.db2.gz KDPONANSLKIICL-ARFHVFGLSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000993586674 1249743293 /nfs/dbraw/zinc/74/32/93/1249743293.db2.gz KDPONANSLKIICL-ARFHVFGLSA-N 2 2 361.490 0.971 20 0 FCADLP CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000993585997 1249743494 /nfs/dbraw/zinc/74/34/94/1249743494.db2.gz BFJPIEGGKHXKDQ-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993585997 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ZINC001003862099 1253127894 /nfs/dbraw/zinc/12/78/94/1253127894.db2.gz HNEKVTQOXPPTMI-SIXLDLHFSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001003862099 1253127897 /nfs/dbraw/zinc/12/78/97/1253127897.db2.gz HNEKVTQOXPPTMI-SIXLDLHFSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004393239 1253312489 /nfs/dbraw/zinc/31/24/89/1253312489.db2.gz XYUQSDXBDHGTLD-BMFZPTHFSA-N 2 2 357.458 0.307 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001005358432 1253531043 /nfs/dbraw/zinc/53/10/43/1253531043.db2.gz UFYXCARFQZQNMY-DTJSUFBGSA-N 2 2 373.501 0.941 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001005358432 1253531047 /nfs/dbraw/zinc/53/10/47/1253531047.db2.gz UFYXCARFQZQNMY-DTJSUFBGSA-N 2 2 373.501 0.941 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)CC1 ZINC001005491326 1253565980 /nfs/dbraw/zinc/56/59/80/1253565980.db2.gz HWAGAEUIQZQWRU-NXHRZFHOSA-N 2 2 373.501 0.943 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001027418735 1253852179 /nfs/dbraw/zinc/85/21/79/1253852179.db2.gz IOJJCRJOGNLUEL-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@H+]1C ZINC001027418735 1253852185 /nfs/dbraw/zinc/85/21/85/1253852185.db2.gz IOJJCRJOGNLUEL-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001027418735 1253852189 /nfs/dbraw/zinc/85/21/89/1253852189.db2.gz IOJJCRJOGNLUEL-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC[NH+]1C ZINC001027418735 1253852200 /nfs/dbraw/zinc/85/22/00/1253852200.db2.gz IOJJCRJOGNLUEL-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP Cc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463682 1253856141 /nfs/dbraw/zinc/85/61/41/1253856141.db2.gz GTFCHVPTJIOYIV-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463682 1253856149 /nfs/dbraw/zinc/85/61/49/1253856149.db2.gz GTFCHVPTJIOYIV-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463682 1253856155 /nfs/dbraw/zinc/85/61/55/1253856155.db2.gz GTFCHVPTJIOYIV-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463682 1253856162 /nfs/dbraw/zinc/85/61/62/1253856162.db2.gz GTFCHVPTJIOYIV-KBAYOESNSA-N 2 2 361.490 0.927 20 0 FCADLP COc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001027463863 1253857102 /nfs/dbraw/zinc/85/71/02/1253857102.db2.gz ISLYYUODGYIEKH-IJEWVQPXSA-N 2 2 366.462 0.825 20 0 FCADLP COc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001027463863 1253857110 /nfs/dbraw/zinc/85/71/10/1253857110.db2.gz ISLYYUODGYIEKH-IJEWVQPXSA-N 2 2 366.462 0.825 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001027463863 1253857114 /nfs/dbraw/zinc/85/71/14/1253857114.db2.gz ISLYYUODGYIEKH-IJEWVQPXSA-N 2 2 366.462 0.825 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001027463863 1253857117 /nfs/dbraw/zinc/85/71/17/1253857117.db2.gz ISLYYUODGYIEKH-IJEWVQPXSA-N 2 2 366.462 0.825 20 0 FCADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994103 1253913687 /nfs/dbraw/zinc/91/36/87/1253913687.db2.gz LTPPLVUPHQEZLG-MSOLQXFVSA-N 2 2 358.486 0.468 20 0 FCADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994103 1253913698 /nfs/dbraw/zinc/91/36/98/1253913698.db2.gz LTPPLVUPHQEZLG-MSOLQXFVSA-N 2 2 358.486 0.468 20 0 FCADLP Cn1c(C2CC[NH+](CCO)CC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001519841681 1265782632 /nfs/dbraw/zinc/78/26/32/1265782632.db2.gz UDZFOCMBMNICBO-UHFFFAOYSA-N 2 2 371.489 0.708 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180729 1253946348 /nfs/dbraw/zinc/94/63/48/1253946348.db2.gz BQYHEYSLBIROIK-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180729 1253946358 /nfs/dbraw/zinc/94/63/58/1253946358.db2.gz BQYHEYSLBIROIK-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180729 1253946366 /nfs/dbraw/zinc/94/63/66/1253946366.db2.gz BQYHEYSLBIROIK-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180729 1253946380 /nfs/dbraw/zinc/94/63/80/1253946380.db2.gz BQYHEYSLBIROIK-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180730 1253948508 /nfs/dbraw/zinc/94/85/08/1253948508.db2.gz BQYHEYSLBIROIK-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180730 1253948514 /nfs/dbraw/zinc/94/85/14/1253948514.db2.gz BQYHEYSLBIROIK-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180730 1253948520 /nfs/dbraw/zinc/94/85/20/1253948520.db2.gz BQYHEYSLBIROIK-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001033180730 1253948524 /nfs/dbraw/zinc/94/85/24/1253948524.db2.gz BQYHEYSLBIROIK-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001033429451 1253966333 /nfs/dbraw/zinc/96/63/33/1253966333.db2.gz IOXXQMAXNGEYMK-ARFHVFGLSA-N 2 2 359.474 0.679 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001033429451 1253966346 /nfs/dbraw/zinc/96/63/46/1253966346.db2.gz IOXXQMAXNGEYMK-ARFHVFGLSA-N 2 2 359.474 0.679 20 0 FCADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270785 1253984583 /nfs/dbraw/zinc/98/45/83/1253984583.db2.gz DBCMFUZCQKFEKY-ZTFGCOKTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270785 1253984595 /nfs/dbraw/zinc/98/45/95/1253984595.db2.gz DBCMFUZCQKFEKY-ZTFGCOKTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270785 1253984610 /nfs/dbraw/zinc/98/46/10/1253984610.db2.gz DBCMFUZCQKFEKY-ZTFGCOKTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001034270785 1253984615 /nfs/dbraw/zinc/98/46/15/1253984615.db2.gz DBCMFUZCQKFEKY-ZTFGCOKTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034273307 1253986084 /nfs/dbraw/zinc/98/60/84/1253986084.db2.gz PSGIVYKMUPYPQR-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034273307 1253986094 /nfs/dbraw/zinc/98/60/94/1253986094.db2.gz PSGIVYKMUPYPQR-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034273307 1253986095 /nfs/dbraw/zinc/98/60/95/1253986095.db2.gz PSGIVYKMUPYPQR-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034273307 1253986102 /nfs/dbraw/zinc/98/61/02/1253986102.db2.gz PSGIVYKMUPYPQR-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001034675644 1254000696 /nfs/dbraw/zinc/00/06/96/1254000696.db2.gz SBEGBYSOXRJQFU-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001034675644 1254000704 /nfs/dbraw/zinc/00/07/04/1254000704.db2.gz SBEGBYSOXRJQFU-KBUPBQIOSA-N 2 2 365.478 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034738368 1254004121 /nfs/dbraw/zinc/00/41/21/1254004121.db2.gz WSDCBZYMMCNLJX-RRCSTGOVSA-N 2 2 357.462 0.869 20 0 FCADLP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001519902862 1265795187 /nfs/dbraw/zinc/79/51/87/1265795187.db2.gz VJUQWUVTCSXBQA-RDJZCZTQSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001519902862 1265795197 /nfs/dbraw/zinc/79/51/97/1265795197.db2.gz VJUQWUVTCSXBQA-RDJZCZTQSA-N 2 2 355.527 0.373 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1C ZINC001034971902 1254012582 /nfs/dbraw/zinc/01/25/82/1254012582.db2.gz YYSADBITZDRNRZ-RBSFLKMASA-N 2 2 364.494 0.177 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1C ZINC001034971902 1254012587 /nfs/dbraw/zinc/01/25/87/1254012587.db2.gz YYSADBITZDRNRZ-RBSFLKMASA-N 2 2 364.494 0.177 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1=O ZINC001034963085 1254013759 /nfs/dbraw/zinc/01/37/59/1254013759.db2.gz BXBJJMWZCSEXMN-BZUAXINKSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1=O ZINC001034963085 1254013765 /nfs/dbraw/zinc/01/37/65/1254013765.db2.gz BXBJJMWZCSEXMN-BZUAXINKSA-N 2 2 355.442 0.993 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC3(CC[NH+](Cc4cnon4)C3)CC2)O1 ZINC001035200852 1254017391 /nfs/dbraw/zinc/01/73/91/1254017391.db2.gz RUMGQNADWGPOSB-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC3(CC[NH+](Cc4cnon4)C3)CC2)O1 ZINC001035200852 1254017406 /nfs/dbraw/zinc/01/74/06/1254017406.db2.gz RUMGQNADWGPOSB-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC[N@H+](Cc4cnon4)C3)CC2)O1 ZINC001035200852 1254017418 /nfs/dbraw/zinc/01/74/18/1254017418.db2.gz RUMGQNADWGPOSB-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4cnon4)C3)CC2)O1 ZINC001035200852 1254017425 /nfs/dbraw/zinc/01/74/25/1254017425.db2.gz RUMGQNADWGPOSB-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228702 1254022382 /nfs/dbraw/zinc/02/23/82/1254022382.db2.gz BWVZKJRTGWEQBT-RBSFLKMASA-N 2 2 359.474 0.712 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228702 1254022386 /nfs/dbraw/zinc/02/23/86/1254022386.db2.gz BWVZKJRTGWEQBT-RBSFLKMASA-N 2 2 359.474 0.712 20 0 FCADLP CCn1cc(CC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001035374903 1254028639 /nfs/dbraw/zinc/02/86/39/1254028639.db2.gz DWNMUEGGCBNVRR-BPQIPLTHSA-N 2 2 363.506 0.603 20 0 FCADLP CCn1cc(CC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001035374903 1254028647 /nfs/dbraw/zinc/02/86/47/1254028647.db2.gz DWNMUEGGCBNVRR-BPQIPLTHSA-N 2 2 363.506 0.603 20 0 FCADLP CCn1cc(CC[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001035374903 1254028660 /nfs/dbraw/zinc/02/86/60/1254028660.db2.gz DWNMUEGGCBNVRR-BPQIPLTHSA-N 2 2 363.506 0.603 20 0 FCADLP CCn1cc(CC[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001035374903 1254028675 /nfs/dbraw/zinc/02/86/75/1254028675.db2.gz DWNMUEGGCBNVRR-BPQIPLTHSA-N 2 2 363.506 0.603 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001062713187 1254277970 /nfs/dbraw/zinc/27/79/70/1254277970.db2.gz LSBDISGUGGWVRC-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001062713187 1254277983 /nfs/dbraw/zinc/27/79/83/1254277983.db2.gz LSBDISGUGGWVRC-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCc3[nH]cc[nH+]3)CCC2)O1 ZINC001063494500 1254348684 /nfs/dbraw/zinc/34/86/84/1254348684.db2.gz SSRUZBYCQSFFRY-ZIAGYGMSSA-N 2 2 363.462 0.217 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCc3[nH]cc[nH+]3)CCC2)O1 ZINC001063494500 1254348696 /nfs/dbraw/zinc/34/86/96/1254348696.db2.gz SSRUZBYCQSFFRY-ZIAGYGMSSA-N 2 2 363.462 0.217 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCn3cc[nH+]c3)CCC2)O1 ZINC001063497622 1254353089 /nfs/dbraw/zinc/35/30/89/1254353089.db2.gz XZHOIVYRMPHYRP-HUUCEWRRSA-N 2 2 363.462 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(NC(=O)CCn3cc[nH+]c3)CCC2)O1 ZINC001063497622 1254353101 /nfs/dbraw/zinc/35/31/01/1254353101.db2.gz XZHOIVYRMPHYRP-HUUCEWRRSA-N 2 2 363.462 0.147 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(c4ncccn4)C3)CC2)CC[N@@H+]1C ZINC001065199949 1254485064 /nfs/dbraw/zinc/48/50/64/1254485064.db2.gz FFRHLSFTEVWOBZ-IXDOHACOSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(c4ncccn4)C3)CC2)CC[N@H+]1C ZINC001065199949 1254485079 /nfs/dbraw/zinc/48/50/79/1254485079.db2.gz FFRHLSFTEVWOBZ-IXDOHACOSA-N 2 2 358.490 0.540 20 0 FCADLP CCOCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001065705233 1254578528 /nfs/dbraw/zinc/57/85/28/1254578528.db2.gz XIJYKPLZWWDEPC-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CCOCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001065705233 1254578543 /nfs/dbraw/zinc/57/85/43/1254578543.db2.gz XIJYKPLZWWDEPC-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075962030 1254654817 /nfs/dbraw/zinc/65/48/17/1254654817.db2.gz CAUCZEOFERFJLJ-JENIJYKNSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCn5c[nH+]cc5C4)[C@@H]3C2)cn1 ZINC001075962030 1254654826 /nfs/dbraw/zinc/65/48/26/1254654826.db2.gz CAUCZEOFERFJLJ-JENIJYKNSA-N 2 2 368.485 0.954 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC001329941116 1265901597 /nfs/dbraw/zinc/90/15/97/1265901597.db2.gz CVWZMQGUNYYQJH-UHFFFAOYSA-N 2 2 355.442 0.758 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1F ZINC001077612568 1254775587 /nfs/dbraw/zinc/77/55/87/1254775587.db2.gz LFWGCLOROCUKMR-IAGOWNOFSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1F ZINC001077612568 1254775598 /nfs/dbraw/zinc/77/55/98/1254775598.db2.gz LFWGCLOROCUKMR-IAGOWNOFSA-N 2 2 365.449 0.837 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CC1 ZINC001077618816 1254787470 /nfs/dbraw/zinc/78/74/70/1254787470.db2.gz UKNKQJWBAVWDDJ-QZTJIDSGSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CC1 ZINC001077618816 1254787490 /nfs/dbraw/zinc/78/74/90/1254787490.db2.gz UKNKQJWBAVWDDJ-QZTJIDSGSA-N 2 2 365.449 0.321 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778615 1254980283 /nfs/dbraw/zinc/98/02/83/1254980283.db2.gz STBRETQOUBSSBA-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778615 1254980301 /nfs/dbraw/zinc/98/03/01/1254980301.db2.gz STBRETQOUBSSBA-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC1 ZINC001077888761 1255074571 /nfs/dbraw/zinc/07/45/71/1255074571.db2.gz UEQRQBKOEHOYAM-RTBURBONSA-N 2 2 361.486 0.572 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC1 ZINC001077888761 1255074581 /nfs/dbraw/zinc/07/45/81/1255074581.db2.gz UEQRQBKOEHOYAM-RTBURBONSA-N 2 2 361.486 0.572 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001078006193 1255161717 /nfs/dbraw/zinc/16/17/17/1255161717.db2.gz VLFDHUONXOUVFF-DJIMGWMZSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001078006193 1255161722 /nfs/dbraw/zinc/16/17/22/1255161722.db2.gz VLFDHUONXOUVFF-DJIMGWMZSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001078006193 1255161726 /nfs/dbraw/zinc/16/17/26/1255161726.db2.gz VLFDHUONXOUVFF-DJIMGWMZSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006193 1255161731 /nfs/dbraw/zinc/16/17/31/1255161731.db2.gz VLFDHUONXOUVFF-DJIMGWMZSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007700 1255164142 /nfs/dbraw/zinc/16/41/42/1255164142.db2.gz XINIIWOBVYKLIB-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078007700 1255164146 /nfs/dbraw/zinc/16/41/46/1255164146.db2.gz XINIIWOBVYKLIB-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001078007700 1255164149 /nfs/dbraw/zinc/16/41/49/1255164149.db2.gz XINIIWOBVYKLIB-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078007700 1255164152 /nfs/dbraw/zinc/16/41/52/1255164152.db2.gz XINIIWOBVYKLIB-KBAYOESNSA-N 2 2 363.506 0.776 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001078007423 1255164571 /nfs/dbraw/zinc/16/45/71/1255164571.db2.gz RCBSKNDNYFBNMP-IAGOWNOFSA-N 2 2 362.405 0.342 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001078007423 1255164577 /nfs/dbraw/zinc/16/45/77/1255164577.db2.gz RCBSKNDNYFBNMP-IAGOWNOFSA-N 2 2 362.405 0.342 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078009889 1255166114 /nfs/dbraw/zinc/16/61/14/1255166114.db2.gz XBEYXJHTVAZZQY-CDHQVMDDSA-N 2 2 368.481 0.929 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078009889 1255166121 /nfs/dbraw/zinc/16/61/21/1255166121.db2.gz XBEYXJHTVAZZQY-CDHQVMDDSA-N 2 2 368.481 0.929 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011864 1255167600 /nfs/dbraw/zinc/16/76/00/1255167600.db2.gz LPPWZQQYIDVWNU-IAGOWNOFSA-N 2 2 365.424 0.764 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011864 1255167604 /nfs/dbraw/zinc/16/76/04/1255167604.db2.gz LPPWZQQYIDVWNU-IAGOWNOFSA-N 2 2 365.424 0.764 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078179079 1255293258 /nfs/dbraw/zinc/29/32/58/1255293258.db2.gz QXHYGMXQRCPCCD-QZTJIDSGSA-N 2 2 360.458 0.402 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078179079 1255293260 /nfs/dbraw/zinc/29/32/60/1255293260.db2.gz QXHYGMXQRCPCCD-QZTJIDSGSA-N 2 2 360.458 0.402 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001078182043 1255296998 /nfs/dbraw/zinc/29/69/98/1255296998.db2.gz CINOPUTWZWEAON-HZPDHXFCSA-N 2 2 362.405 0.571 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001078182043 1255297000 /nfs/dbraw/zinc/29/70/00/1255297000.db2.gz CINOPUTWZWEAON-HZPDHXFCSA-N 2 2 362.405 0.571 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209848 1255323651 /nfs/dbraw/zinc/32/36/51/1255323651.db2.gz MJPVHOJGFPONIH-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209848 1255323661 /nfs/dbraw/zinc/32/36/61/1255323661.db2.gz MJPVHOJGFPONIH-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209848 1255323670 /nfs/dbraw/zinc/32/36/70/1255323670.db2.gz MJPVHOJGFPONIH-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@H]2O)C1 ZINC001078209848 1255323680 /nfs/dbraw/zinc/32/36/80/1255323680.db2.gz MJPVHOJGFPONIH-GUDVDZBRSA-N 2 2 361.486 0.685 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210205 1255323860 /nfs/dbraw/zinc/32/38/60/1255323860.db2.gz ZBXXWTMJSUWFKJ-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210205 1255323870 /nfs/dbraw/zinc/32/38/70/1255323870.db2.gz ZBXXWTMJSUWFKJ-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210205 1255323879 /nfs/dbraw/zinc/32/38/79/1255323879.db2.gz ZBXXWTMJSUWFKJ-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)C[C@H]2O)C1 ZINC001078210205 1255323890 /nfs/dbraw/zinc/32/38/90/1255323890.db2.gz ZBXXWTMJSUWFKJ-KZNAEPCWSA-N 2 2 363.458 0.077 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209950 1255325051 /nfs/dbraw/zinc/32/50/51/1255325051.db2.gz OKWMFAVAJJPBIU-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209950 1255325061 /nfs/dbraw/zinc/32/50/61/1255325061.db2.gz OKWMFAVAJJPBIU-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209950 1255325067 /nfs/dbraw/zinc/32/50/67/1255325067.db2.gz OKWMFAVAJJPBIU-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@H]2O)C1 ZINC001078209950 1255325079 /nfs/dbraw/zinc/32/50/79/1255325079.db2.gz OKWMFAVAJJPBIU-KURKYZTESA-N 2 2 365.449 0.516 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078270684 1255377160 /nfs/dbraw/zinc/37/71/60/1255377160.db2.gz IZNJKAIQOFCUTD-KFKAGJAMSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078270684 1255377170 /nfs/dbraw/zinc/37/71/70/1255377170.db2.gz IZNJKAIQOFCUTD-KFKAGJAMSA-N 2 2 354.454 0.850 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405411 1255408542 /nfs/dbraw/zinc/40/85/42/1255408542.db2.gz MOVABYMNTOPPQA-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCCO2)o1 ZINC001078405411 1255408546 /nfs/dbraw/zinc/40/85/46/1255408546.db2.gz MOVABYMNTOPPQA-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)COCC[NH+](C)C ZINC001078522550 1255426234 /nfs/dbraw/zinc/42/62/34/1255426234.db2.gz SHUUYUXYUYVGGM-RRFJBIMHSA-N 2 2 365.478 0.113 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001079160527 1255463090 /nfs/dbraw/zinc/46/30/90/1255463090.db2.gz ZAFPDKIPCAAASY-LSDHHAIUSA-N 2 2 359.405 0.551 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001079204782 1255472193 /nfs/dbraw/zinc/47/21/93/1255472193.db2.gz LYNXMVHPFVFHTO-ARFHVFGLSA-N 2 2 371.416 0.564 20 0 FCADLP C[C@H](O)C[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254589 1255488746 /nfs/dbraw/zinc/48/87/46/1255488746.db2.gz KBZNHOFLLGMPSF-YESZJQIVSA-N 2 2 362.474 0.593 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F)C(N)=O ZINC001079311756 1255506110 /nfs/dbraw/zinc/50/61/10/1255506110.db2.gz ANRZUUYAYBSOOG-HZUKXOBISA-N 2 2 359.405 0.549 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526898 1255535052 /nfs/dbraw/zinc/53/50/52/1255535052.db2.gz WIMGTRAUNYBRMC-CSMYWGQOSA-N 2 2 359.430 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526898 1255535062 /nfs/dbraw/zinc/53/50/62/1255535062.db2.gz WIMGTRAUNYBRMC-CSMYWGQOSA-N 2 2 359.430 0.490 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526898 1255535069 /nfs/dbraw/zinc/53/50/69/1255535069.db2.gz WIMGTRAUNYBRMC-CSMYWGQOSA-N 2 2 359.430 0.490 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526898 1255535075 /nfs/dbraw/zinc/53/50/75/1255535075.db2.gz WIMGTRAUNYBRMC-CSMYWGQOSA-N 2 2 359.430 0.490 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001079948214 1255676810 /nfs/dbraw/zinc/67/68/10/1255676810.db2.gz YMIJLVHDOOQGIU-BMFZPTHFSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)c[nH+]1 ZINC001079948214 1255676818 /nfs/dbraw/zinc/67/68/18/1255676818.db2.gz YMIJLVHDOOQGIU-BMFZPTHFSA-N 2 2 361.490 0.984 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079990551 1255696446 /nfs/dbraw/zinc/69/64/46/1255696446.db2.gz HJLIDMAJUKJGEQ-HLLBOEOZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079990551 1255696450 /nfs/dbraw/zinc/69/64/50/1255696450.db2.gz HJLIDMAJUKJGEQ-HLLBOEOZSA-N 2 2 356.474 0.858 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)cn1 ZINC001080324893 1255840942 /nfs/dbraw/zinc/84/09/42/1255840942.db2.gz ITAKBUBTGKXWKT-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)cn1 ZINC001080324893 1255840958 /nfs/dbraw/zinc/84/09/58/1255840958.db2.gz ITAKBUBTGKXWKT-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324893 1255840969 /nfs/dbraw/zinc/84/09/69/1255840969.db2.gz ITAKBUBTGKXWKT-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)cn1 ZINC001080324893 1255840978 /nfs/dbraw/zinc/84/09/78/1255840978.db2.gz ITAKBUBTGKXWKT-OLMNPRSZSA-N 2 2 361.490 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001080345905 1255856855 /nfs/dbraw/zinc/85/68/55/1255856855.db2.gz DXCXGQIYKUZTMU-UKRRQHHQSA-N 2 2 363.462 0.417 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001080345905 1255856863 /nfs/dbraw/zinc/85/68/63/1255856863.db2.gz DXCXGQIYKUZTMU-UKRRQHHQSA-N 2 2 363.462 0.417 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080441727 1255891218 /nfs/dbraw/zinc/89/12/18/1255891218.db2.gz XENKNWSEFGSZOS-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080441727 1255891229 /nfs/dbraw/zinc/89/12/29/1255891229.db2.gz XENKNWSEFGSZOS-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080441727 1255891235 /nfs/dbraw/zinc/89/12/35/1255891235.db2.gz XENKNWSEFGSZOS-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080441727 1255891243 /nfs/dbraw/zinc/89/12/43/1255891243.db2.gz XENKNWSEFGSZOS-HLLBOEOZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080470907 1255905305 /nfs/dbraw/zinc/90/53/05/1255905305.db2.gz CUHHCAYYBZNRFX-DTZQCDIJSA-N 2 2 359.474 0.581 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080470907 1255905307 /nfs/dbraw/zinc/90/53/07/1255905307.db2.gz CUHHCAYYBZNRFX-DTZQCDIJSA-N 2 2 359.474 0.581 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593013 1255947101 /nfs/dbraw/zinc/94/71/01/1255947101.db2.gz DDZVSJQTDWKDFA-RHSMWYFYSA-N 2 2 359.478 0.429 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593013 1255947106 /nfs/dbraw/zinc/94/71/06/1255947106.db2.gz DDZVSJQTDWKDFA-RHSMWYFYSA-N 2 2 359.478 0.429 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679430 1255981433 /nfs/dbraw/zinc/98/14/33/1255981433.db2.gz DPGJFFSODDXKHZ-WQVCFCJDSA-N 2 2 356.430 0.581 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679430 1255981441 /nfs/dbraw/zinc/98/14/41/1255981441.db2.gz DPGJFFSODDXKHZ-WQVCFCJDSA-N 2 2 356.430 0.581 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782240 1256037160 /nfs/dbraw/zinc/03/71/60/1256037160.db2.gz BRFLKIQKTHXVPQ-CXAGYDPISA-N 2 2 355.442 0.698 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782240 1256037173 /nfs/dbraw/zinc/03/71/73/1256037173.db2.gz BRFLKIQKTHXVPQ-CXAGYDPISA-N 2 2 355.442 0.698 20 0 FCADLP C[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789216 1256040621 /nfs/dbraw/zinc/04/06/21/1256040621.db2.gz VQJRGZPXPGFDTE-UKRRQHHQSA-N 2 2 360.458 0.780 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080789216 1256040631 /nfs/dbraw/zinc/04/06/31/1256040631.db2.gz VQJRGZPXPGFDTE-UKRRQHHQSA-N 2 2 360.458 0.780 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080947825 1256108362 /nfs/dbraw/zinc/10/83/62/1256108362.db2.gz OQOSYMNIUAJJNH-XYPHTWIQSA-N 2 2 359.474 0.781 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C ZINC001080947825 1256108368 /nfs/dbraw/zinc/10/83/68/1256108368.db2.gz OQOSYMNIUAJJNH-XYPHTWIQSA-N 2 2 359.474 0.781 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979631 1256122826 /nfs/dbraw/zinc/12/28/26/1256122826.db2.gz VWLLKEXEQPTEQM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979631 1256122835 /nfs/dbraw/zinc/12/28/35/1256122835.db2.gz VWLLKEXEQPTEQM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979631 1256122840 /nfs/dbraw/zinc/12/28/40/1256122840.db2.gz VWLLKEXEQPTEQM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2C)C1 ZINC001080979631 1256122843 /nfs/dbraw/zinc/12/28/43/1256122843.db2.gz VWLLKEXEQPTEQM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081151373 1256192683 /nfs/dbraw/zinc/19/26/83/1256192683.db2.gz HFZQDKIQBBQKGS-JKSUJKDBSA-N 2 2 355.442 0.422 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001081203484 1256205475 /nfs/dbraw/zinc/20/54/75/1256205475.db2.gz MULBAZQNKFNXHV-HRCADAONSA-N 2 2 353.426 0.425 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081219461 1256210353 /nfs/dbraw/zinc/21/03/53/1256210353.db2.gz CWGUYDFRGXCQRA-DLBZAZTESA-N 2 2 355.442 0.422 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001081219329 1256210402 /nfs/dbraw/zinc/21/04/02/1256210402.db2.gz WUKGGXQJCYBMFF-JLJPHGGASA-N 2 2 355.442 0.719 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001081234077 1256214628 /nfs/dbraw/zinc/21/46/28/1256214628.db2.gz UQNCWFNWPSDORN-OKZBNKHCSA-N 2 2 367.453 0.746 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699389 1256337720 /nfs/dbraw/zinc/33/77/20/1256337720.db2.gz UAYQNYLYEGCMJZ-YLFCFFPRSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]2OC)CC[N@H+]1C ZINC001081699389 1256337726 /nfs/dbraw/zinc/33/77/26/1256337726.db2.gz UAYQNYLYEGCMJZ-YLFCFFPRSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2OC)CC[NH+]1C ZINC001081699389 1256337732 /nfs/dbraw/zinc/33/77/32/1256337732.db2.gz UAYQNYLYEGCMJZ-YLFCFFPRSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2OC)CC[NH+]1C ZINC001081699389 1256337740 /nfs/dbraw/zinc/33/77/40/1256337740.db2.gz UAYQNYLYEGCMJZ-YLFCFFPRSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001081870648 1256421417 /nfs/dbraw/zinc/42/14/17/1256421417.db2.gz HHVMGMOGCCPVQA-DJIMGWMZSA-N 2 2 358.446 0.158 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001081870648 1256421419 /nfs/dbraw/zinc/42/14/19/1256421419.db2.gz HHVMGMOGCCPVQA-DJIMGWMZSA-N 2 2 358.446 0.158 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081879885 1256427372 /nfs/dbraw/zinc/42/73/72/1256427372.db2.gz DIRWPLWHRVCDGI-IAOVAPTHSA-N 2 2 366.462 0.592 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081879885 1256427374 /nfs/dbraw/zinc/42/73/74/1256427374.db2.gz DIRWPLWHRVCDGI-IAOVAPTHSA-N 2 2 366.462 0.592 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932694 1256458931 /nfs/dbraw/zinc/45/89/31/1256458931.db2.gz SFYOGRPRMBOURN-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932694 1256458937 /nfs/dbraw/zinc/45/89/37/1256458937.db2.gz SFYOGRPRMBOURN-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001081980697 1256481285 /nfs/dbraw/zinc/48/12/85/1256481285.db2.gz ZEMWVNFMQJJDKV-KZNAEPCWSA-N 2 2 361.490 0.610 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)cn1 ZINC001082092574 1256531318 /nfs/dbraw/zinc/53/13/18/1256531318.db2.gz FPSRUPKOXIYYME-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)cn1 ZINC001082092574 1256531325 /nfs/dbraw/zinc/53/13/25/1256531325.db2.gz FPSRUPKOXIYYME-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458224 1256771018 /nfs/dbraw/zinc/77/10/18/1256771018.db2.gz CTDDMFFKRVSSNF-BZUAXINKSA-N 2 2 364.494 0.201 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458224 1256771024 /nfs/dbraw/zinc/77/10/24/1256771024.db2.gz CTDDMFFKRVSSNF-BZUAXINKSA-N 2 2 364.494 0.201 20 0 FCADLP COc1coc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)cc1=O ZINC001082492123 1256785876 /nfs/dbraw/zinc/78/58/76/1256785876.db2.gz GRLYADHPICFVJA-TZMCWYRMSA-N 2 2 360.414 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082520301 1256803031 /nfs/dbraw/zinc/80/30/31/1256803031.db2.gz NWXQHJGMZIUGNT-KBUPBQIOSA-N 2 2 363.510 0.705 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082520301 1256803043 /nfs/dbraw/zinc/80/30/43/1256803043.db2.gz NWXQHJGMZIUGNT-KBUPBQIOSA-N 2 2 363.510 0.705 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558006 1256853678 /nfs/dbraw/zinc/85/36/78/1256853678.db2.gz UUXHTIYWKNYGJN-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001082590722 1256904214 /nfs/dbraw/zinc/90/42/14/1256904214.db2.gz LDDJPQLTBWDYCA-RHSMWYFYSA-N 2 2 370.453 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001082590074 1256904237 /nfs/dbraw/zinc/90/42/37/1256904237.db2.gz APKMDMPBJGLPEX-QHSBEEBCSA-N 2 2 362.478 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001082590074 1256904240 /nfs/dbraw/zinc/90/42/40/1256904240.db2.gz APKMDMPBJGLPEX-QHSBEEBCSA-N 2 2 362.478 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082595019 1256908554 /nfs/dbraw/zinc/90/85/54/1256908554.db2.gz SMNYZNHEIBTFDQ-RIEGTJTDSA-N 2 2 355.398 0.418 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082601206 1256911838 /nfs/dbraw/zinc/91/18/38/1256911838.db2.gz PZPGUILROJRHAL-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001082601246 1256911901 /nfs/dbraw/zinc/91/19/01/1256911901.db2.gz RUCVUEKUSUYNTD-CKEIUWERSA-N 2 2 370.457 0.881 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604253 1256914990 /nfs/dbraw/zinc/91/49/90/1256914990.db2.gz JGWJMFQDBFQINT-IIAWOOMASA-N 2 2 357.462 0.694 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604357 1256916162 /nfs/dbraw/zinc/91/61/62/1256916162.db2.gz MGADLACPRACLDG-CKEIUWERSA-N 2 2 357.462 0.694 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082620833 1256931212 /nfs/dbraw/zinc/93/12/12/1256931212.db2.gz ZONOTBLGGJQVRE-MLGOLLRUSA-N 2 2 366.429 0.906 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082637280 1256944235 /nfs/dbraw/zinc/94/42/35/1256944235.db2.gz WTUBILVBPXKFQT-CZUORRHYSA-N 2 2 366.429 0.646 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001082646768 1256952745 /nfs/dbraw/zinc/95/27/45/1256952745.db2.gz RFUOQABTHTXJBP-KWCYVHTRSA-N 2 2 362.434 0.919 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001082673881 1256973040 /nfs/dbraw/zinc/97/30/40/1256973040.db2.gz UMZQRONZMCKQQS-HYVNUMGLSA-N 2 2 359.474 0.863 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cn(C)nn3)C1)CC2 ZINC001082708803 1257001228 /nfs/dbraw/zinc/00/12/28/1257001228.db2.gz ONQMATKGAZYFSH-HACGYAERSA-N 2 2 357.462 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3nncn3C)C1)C2 ZINC001082743433 1257022209 /nfs/dbraw/zinc/02/22/09/1257022209.db2.gz ZSTAKASMUJBKDW-XNRPHZJLSA-N 2 2 357.462 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C)C1)C2 ZINC001082743044 1257023229 /nfs/dbraw/zinc/02/32/29/1257023229.db2.gz DQXPJOSALFTDQT-XNRPHZJLSA-N 2 2 357.462 0.519 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082807340 1257064524 /nfs/dbraw/zinc/06/45/24/1257064524.db2.gz BWNFZJCRWNYERH-RHSMWYFYSA-N 2 2 364.494 0.265 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001082807942 1257067753 /nfs/dbraw/zinc/06/77/53/1257067753.db2.gz LRBUUNJHEKIMHZ-HUUCEWRRSA-N 2 2 364.494 0.587 20 0 FCADLP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082826731 1257084824 /nfs/dbraw/zinc/08/48/24/1257084824.db2.gz FXJNYCJCZVRGDR-CXAGYDPISA-N 2 2 366.429 0.646 20 0 FCADLP NC(=O)C1CCN(C(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC001330750498 1266088849 /nfs/dbraw/zinc/08/88/49/1266088849.db2.gz WESHSCKADQBNED-KRWDZBQOSA-N 2 2 355.442 0.938 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082838644 1257093300 /nfs/dbraw/zinc/09/33/00/1257093300.db2.gz GMLSTJOMJQPSMW-IVMMDQJWSA-N 2 2 354.414 0.206 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082838672 1257093682 /nfs/dbraw/zinc/09/36/82/1257093682.db2.gz IDKDJGJSNDIBSL-FRFSOERESA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001082861195 1257112328 /nfs/dbraw/zinc/11/23/28/1257112328.db2.gz NQOKSQGSMHWGLI-KBRIMQKVSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC001082860744 1257112801 /nfs/dbraw/zinc/11/28/01/1257112801.db2.gz JXFGHBUGOLMGCW-HZSPNIEDSA-N 2 2 357.462 0.903 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001082861277 1257112901 /nfs/dbraw/zinc/11/29/01/1257112901.db2.gz UEDSALMLALTQJN-ZMSDIMECSA-N 2 2 361.490 0.658 20 0 FCADLP CO[C@@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001082863193 1257113636 /nfs/dbraw/zinc/11/36/36/1257113636.db2.gz RQSOGQXTWCJHQD-HZSPNIEDSA-N 2 2 363.462 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082863684 1257113749 /nfs/dbraw/zinc/11/37/49/1257113749.db2.gz SFQUTTFPGCGRLV-ZIAGYGMSSA-N 2 2 361.494 0.460 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001082893183 1257128837 /nfs/dbraw/zinc/12/88/37/1257128837.db2.gz SEBHVJAVHGOWTB-CXAGYDPISA-N 2 2 359.478 0.698 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082893289 1257129761 /nfs/dbraw/zinc/12/97/61/1257129761.db2.gz ZODZECPSYLYBMZ-RHSMWYFYSA-N 2 2 357.458 0.688 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1C ZINC001082933950 1257154741 /nfs/dbraw/zinc/15/47/41/1257154741.db2.gz QDDKMNZXNITGOX-RBSFLKMASA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1C ZINC001082933950 1257154744 /nfs/dbraw/zinc/15/47/44/1257154744.db2.gz QDDKMNZXNITGOX-RBSFLKMASA-N 2 2 364.494 0.035 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC001083083573 1257283886 /nfs/dbraw/zinc/28/38/86/1257283886.db2.gz AGZKWRLORBNEPI-CEXWTWQISA-N 2 2 356.470 0.835 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC001083083573 1257283893 /nfs/dbraw/zinc/28/38/93/1257283893.db2.gz AGZKWRLORBNEPI-CEXWTWQISA-N 2 2 356.470 0.835 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)on1 ZINC001083083955 1257284136 /nfs/dbraw/zinc/28/41/36/1257284136.db2.gz SOUHUYJVKOLATA-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)on1 ZINC001083083955 1257284142 /nfs/dbraw/zinc/28/41/42/1257284142.db2.gz SOUHUYJVKOLATA-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3CN(Cc4c[nH+]cn4C)C[C@@H]32)CC[N@@H+]1C ZINC001083087321 1257288043 /nfs/dbraw/zinc/28/80/43/1257288043.db2.gz BZVLIOSTMZJCNH-XWTMOSNGSA-N 2 2 361.490 0.562 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3CN(Cc4c[nH+]cn4C)C[C@@H]32)CC[N@H+]1C ZINC001083087321 1257288045 /nfs/dbraw/zinc/28/80/45/1257288045.db2.gz BZVLIOSTMZJCNH-XWTMOSNGSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105335 1257319403 /nfs/dbraw/zinc/31/94/03/1257319403.db2.gz VKRSBFOLCQSWTL-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105335 1257319412 /nfs/dbraw/zinc/31/94/12/1257319412.db2.gz VKRSBFOLCQSWTL-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105335 1257319422 /nfs/dbraw/zinc/31/94/22/1257319422.db2.gz VKRSBFOLCQSWTL-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]21 ZINC001083105335 1257319431 /nfs/dbraw/zinc/31/94/31/1257319431.db2.gz VKRSBFOLCQSWTL-YESZJQIVSA-N 2 2 366.506 0.249 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083121656 1257354640 /nfs/dbraw/zinc/35/46/40/1257354640.db2.gz WRTNMVUCLJMNEO-ZWKOTPCHSA-N 2 2 366.425 0.985 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083121656 1257354650 /nfs/dbraw/zinc/35/46/50/1257354650.db2.gz WRTNMVUCLJMNEO-ZWKOTPCHSA-N 2 2 366.425 0.985 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083125254 1257364110 /nfs/dbraw/zinc/36/41/10/1257364110.db2.gz LDYZYMLCRJQUMW-RYQLBKOJSA-N 2 2 370.457 0.254 20 0 FCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083125254 1257364119 /nfs/dbraw/zinc/36/41/19/1257364119.db2.gz LDYZYMLCRJQUMW-RYQLBKOJSA-N 2 2 370.457 0.254 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001083645429 1257464450 /nfs/dbraw/zinc/46/44/50/1257464450.db2.gz ZYZIUBSJDHKHGT-IKGGRYGDSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1O ZINC001083645429 1257464453 /nfs/dbraw/zinc/46/44/53/1257464453.db2.gz ZYZIUBSJDHKHGT-IKGGRYGDSA-N 2 2 362.405 0.226 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1F ZINC001083749171 1257488222 /nfs/dbraw/zinc/48/82/22/1257488222.db2.gz LFWGCLOROCUKMR-SJORKVTESA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1F ZINC001083749171 1257488225 /nfs/dbraw/zinc/48/82/25/1257488225.db2.gz LFWGCLOROCUKMR-SJORKVTESA-N 2 2 365.449 0.837 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780887 1257523218 /nfs/dbraw/zinc/52/32/18/1257523218.db2.gz NVZBWIPPDLPHKS-ZMYBRWDISA-N 2 2 359.470 0.720 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780887 1257523222 /nfs/dbraw/zinc/52/32/22/1257523222.db2.gz NVZBWIPPDLPHKS-ZMYBRWDISA-N 2 2 359.470 0.720 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780887 1257523226 /nfs/dbraw/zinc/52/32/26/1257523226.db2.gz NVZBWIPPDLPHKS-ZMYBRWDISA-N 2 2 359.470 0.720 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2O)C1 ZINC001083780887 1257523230 /nfs/dbraw/zinc/52/32/30/1257523230.db2.gz NVZBWIPPDLPHKS-ZMYBRWDISA-N 2 2 359.470 0.720 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083780711 1257524143 /nfs/dbraw/zinc/52/41/43/1257524143.db2.gz HSYYWJJZQZRWBC-BMFZPTHFSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083780711 1257524148 /nfs/dbraw/zinc/52/41/48/1257524148.db2.gz HSYYWJJZQZRWBC-BMFZPTHFSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083780711 1257524150 /nfs/dbraw/zinc/52/41/50/1257524150.db2.gz HSYYWJJZQZRWBC-BMFZPTHFSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)o1 ZINC001083780711 1257524154 /nfs/dbraw/zinc/52/41/54/1257524154.db2.gz HSYYWJJZQZRWBC-BMFZPTHFSA-N 2 2 364.490 0.939 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001083789467 1257539397 /nfs/dbraw/zinc/53/93/97/1257539397.db2.gz CJCWOFXNNGHNLY-KONPQCLYSA-N 2 2 372.473 0.198 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001083789467 1257539401 /nfs/dbraw/zinc/53/94/01/1257539401.db2.gz CJCWOFXNNGHNLY-KONPQCLYSA-N 2 2 372.473 0.198 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833126 1257587420 /nfs/dbraw/zinc/58/74/20/1257587420.db2.gz KHFMUTLJSCSTCK-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833126 1257587424 /nfs/dbraw/zinc/58/74/24/1257587424.db2.gz KHFMUTLJSCSTCK-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864236 1257627330 /nfs/dbraw/zinc/62/73/30/1257627330.db2.gz FDESOXZVNBEHRH-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864236 1257627336 /nfs/dbraw/zinc/62/73/36/1257627336.db2.gz FDESOXZVNBEHRH-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083953018 1257740175 /nfs/dbraw/zinc/74/01/75/1257740175.db2.gz DIQJXHMRTHRUII-OAGGEKHMSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)o1 ZINC001083953018 1257740181 /nfs/dbraw/zinc/74/01/81/1257740181.db2.gz DIQJXHMRTHRUII-OAGGEKHMSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)o1 ZINC001083953018 1257740184 /nfs/dbraw/zinc/74/01/84/1257740184.db2.gz DIQJXHMRTHRUII-OAGGEKHMSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)o1 ZINC001083953018 1257740189 /nfs/dbraw/zinc/74/01/89/1257740189.db2.gz DIQJXHMRTHRUII-OAGGEKHMSA-N 2 2 364.490 0.939 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001083954384 1257741570 /nfs/dbraw/zinc/74/15/70/1257741570.db2.gz XODZBIRLGFTKNY-SQNIBIBYSA-N 2 2 358.417 0.951 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@@H]1O ZINC001083954384 1257741575 /nfs/dbraw/zinc/74/15/75/1257741575.db2.gz XODZBIRLGFTKNY-SQNIBIBYSA-N 2 2 358.417 0.951 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962035 1257753231 /nfs/dbraw/zinc/75/32/31/1257753231.db2.gz SKOJPYXSQKBVHV-UNEWFSDZSA-N 2 2 362.474 0.738 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083962035 1257753238 /nfs/dbraw/zinc/75/32/38/1257753238.db2.gz SKOJPYXSQKBVHV-UNEWFSDZSA-N 2 2 362.474 0.738 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053700 1257865703 /nfs/dbraw/zinc/86/57/03/1257865703.db2.gz HWWGKBQTGKCQIW-OAGGEKHMSA-N 2 2 361.442 0.071 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053700 1257865713 /nfs/dbraw/zinc/86/57/13/1257865713.db2.gz HWWGKBQTGKCQIW-OAGGEKHMSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053700 1257865720 /nfs/dbraw/zinc/86/57/20/1257865720.db2.gz HWWGKBQTGKCQIW-OAGGEKHMSA-N 2 2 361.442 0.071 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]2O)C1 ZINC001084053700 1257865729 /nfs/dbraw/zinc/86/57/29/1257865729.db2.gz HWWGKBQTGKCQIW-OAGGEKHMSA-N 2 2 361.442 0.071 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077043 1257903451 /nfs/dbraw/zinc/90/34/51/1257903451.db2.gz CWLDWDLNFAKRIM-CVSNNLQWSA-N 2 2 359.470 0.582 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077043 1257903460 /nfs/dbraw/zinc/90/34/60/1257903460.db2.gz CWLDWDLNFAKRIM-CVSNNLQWSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077043 1257903470 /nfs/dbraw/zinc/90/34/70/1257903470.db2.gz CWLDWDLNFAKRIM-CVSNNLQWSA-N 2 2 359.470 0.582 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2O)C1 ZINC001084077043 1257903477 /nfs/dbraw/zinc/90/34/77/1257903477.db2.gz CWLDWDLNFAKRIM-CVSNNLQWSA-N 2 2 359.470 0.582 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)c3ccccc3C[NH+](C)C)[C@@H](O)C2)ncn1 ZINC001084090903 1257915944 /nfs/dbraw/zinc/91/59/44/1257915944.db2.gz NRUQIFAJEBJMOY-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccccc3C[NH+](C)C)[C@@H](O)C2)ncn1 ZINC001084090903 1257915949 /nfs/dbraw/zinc/91/59/49/1257915949.db2.gz NRUQIFAJEBJMOY-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084312631 1258016173 /nfs/dbraw/zinc/01/61/73/1258016173.db2.gz ZNXWKGNLCXBFLY-ZIAGYGMSSA-N 2 2 359.430 0.024 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001084312631 1258016180 /nfs/dbraw/zinc/01/61/80/1258016180.db2.gz ZNXWKGNLCXBFLY-ZIAGYGMSSA-N 2 2 359.430 0.024 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355853 1258045797 /nfs/dbraw/zinc/04/57/97/1258045797.db2.gz LJEQAMPBXCWMGN-YFHUEUNASA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355853 1258045804 /nfs/dbraw/zinc/04/58/04/1258045804.db2.gz LJEQAMPBXCWMGN-YFHUEUNASA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355853 1258045810 /nfs/dbraw/zinc/04/58/10/1258045810.db2.gz LJEQAMPBXCWMGN-YFHUEUNASA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355853 1258045819 /nfs/dbraw/zinc/04/58/19/1258045819.db2.gz LJEQAMPBXCWMGN-YFHUEUNASA-N 2 2 360.506 0.979 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084361472 1258047945 /nfs/dbraw/zinc/04/79/45/1258047945.db2.gz KQPTVCJJTMZMNE-NVXWUHKLSA-N 2 2 369.473 0.586 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084361472 1258047951 /nfs/dbraw/zinc/04/79/51/1258047951.db2.gz KQPTVCJJTMZMNE-NVXWUHKLSA-N 2 2 369.473 0.586 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406292 1258086213 /nfs/dbraw/zinc/08/62/13/1258086213.db2.gz LRQLKNYSTKBDJH-NXHRZFHOSA-N 2 2 360.506 0.979 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406292 1258086224 /nfs/dbraw/zinc/08/62/24/1258086224.db2.gz LRQLKNYSTKBDJH-NXHRZFHOSA-N 2 2 360.506 0.979 20 0 FCADLP COc1ncccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446775 1258116987 /nfs/dbraw/zinc/11/69/87/1258116987.db2.gz NZNKOYFXDDLGIH-JOCBIADPSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ncccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446775 1258116991 /nfs/dbraw/zinc/11/69/91/1258116991.db2.gz NZNKOYFXDDLGIH-JOCBIADPSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446775 1258116993 /nfs/dbraw/zinc/11/69/93/1258116993.db2.gz NZNKOYFXDDLGIH-JOCBIADPSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ncccc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446775 1258116995 /nfs/dbraw/zinc/11/69/95/1258116995.db2.gz NZNKOYFXDDLGIH-JOCBIADPSA-N 2 2 374.485 0.842 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484394 1258128755 /nfs/dbraw/zinc/12/87/55/1258128755.db2.gz SWVZXWMLUYOWDJ-BRWVUGGUSA-N 2 2 360.502 0.768 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CCC[NH+]4CCC5)[C@@H]3C2)C1=O ZINC001084484394 1258128760 /nfs/dbraw/zinc/12/87/60/1258128760.db2.gz SWVZXWMLUYOWDJ-BRWVUGGUSA-N 2 2 360.502 0.768 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084522909 1258149932 /nfs/dbraw/zinc/14/99/32/1258149932.db2.gz OEPPDGQKFPYPOD-BPQIPLTHSA-N 2 2 371.485 0.878 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084522909 1258149937 /nfs/dbraw/zinc/14/99/37/1258149937.db2.gz OEPPDGQKFPYPOD-BPQIPLTHSA-N 2 2 371.485 0.878 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084524689 1258151076 /nfs/dbraw/zinc/15/10/76/1258151076.db2.gz GZRGFJMFGJUPGG-CRAIPNDOSA-N 2 2 369.473 0.586 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084524689 1258151079 /nfs/dbraw/zinc/15/10/79/1258151079.db2.gz GZRGFJMFGJUPGG-CRAIPNDOSA-N 2 2 369.473 0.586 20 0 FCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538900 1258159784 /nfs/dbraw/zinc/15/97/84/1258159784.db2.gz WKRCSLCPTTZTOK-TVFCKZIOSA-N 2 2 367.490 0.045 20 0 FCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538900 1258159787 /nfs/dbraw/zinc/15/97/87/1258159787.db2.gz WKRCSLCPTTZTOK-TVFCKZIOSA-N 2 2 367.490 0.045 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[NH+]1CCCC1 ZINC001084571707 1258179073 /nfs/dbraw/zinc/17/90/73/1258179073.db2.gz AKGBKUHLWSPPLN-QLFBSQMISA-N 2 2 362.474 0.199 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[NH+]1CCCC1 ZINC001084571707 1258179075 /nfs/dbraw/zinc/17/90/75/1258179075.db2.gz AKGBKUHLWSPPLN-QLFBSQMISA-N 2 2 362.474 0.199 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084598930 1258191645 /nfs/dbraw/zinc/19/16/45/1258191645.db2.gz LUQOGTCDIAJYRO-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084598930 1258191648 /nfs/dbraw/zinc/19/16/48/1258191648.db2.gz LUQOGTCDIAJYRO-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084598930 1258191653 /nfs/dbraw/zinc/19/16/53/1258191653.db2.gz LUQOGTCDIAJYRO-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC4CC4)C[C@H]32)C1 ZINC001084598930 1258191656 /nfs/dbraw/zinc/19/16/56/1258191656.db2.gz LUQOGTCDIAJYRO-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084614518 1258201251 /nfs/dbraw/zinc/20/12/51/1258201251.db2.gz ZWGPMXXMUPGFPC-GDBMZVCRSA-N 2 2 360.458 0.720 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001084614518 1258201254 /nfs/dbraw/zinc/20/12/54/1258201254.db2.gz ZWGPMXXMUPGFPC-GDBMZVCRSA-N 2 2 360.458 0.720 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662384 1258225191 /nfs/dbraw/zinc/22/51/91/1258225191.db2.gz HWRRAQKUAKDEFS-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662384 1258225195 /nfs/dbraw/zinc/22/51/95/1258225195.db2.gz HWRRAQKUAKDEFS-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662384 1258225202 /nfs/dbraw/zinc/22/52/02/1258225202.db2.gz HWRRAQKUAKDEFS-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP COc1nccc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)n1 ZINC001084662384 1258225206 /nfs/dbraw/zinc/22/52/06/1258225206.db2.gz HWRRAQKUAKDEFS-ZMSDIMECSA-N 2 2 359.474 0.860 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738771 1258280192 /nfs/dbraw/zinc/28/01/92/1258280192.db2.gz BKEMVWXMEIGLHW-JFIYKMOQSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738771 1258280194 /nfs/dbraw/zinc/28/01/94/1258280194.db2.gz BKEMVWXMEIGLHW-JFIYKMOQSA-N 2 2 362.518 0.918 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084743913 1258282772 /nfs/dbraw/zinc/28/27/72/1258282772.db2.gz LPFOSKKKJZKPKL-CZUORRHYSA-N 2 2 354.414 0.160 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084743913 1258282776 /nfs/dbraw/zinc/28/27/76/1258282776.db2.gz LPFOSKKKJZKPKL-CZUORRHYSA-N 2 2 354.414 0.160 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084744123 1258284449 /nfs/dbraw/zinc/28/44/49/1258284449.db2.gz WDWRFSMHFYADLL-WOSRLPQWSA-N 2 2 354.414 0.287 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084744123 1258284453 /nfs/dbraw/zinc/28/44/53/1258284453.db2.gz WDWRFSMHFYADLL-WOSRLPQWSA-N 2 2 354.414 0.287 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(C)n1 ZINC001084832705 1258377136 /nfs/dbraw/zinc/37/71/36/1258377136.db2.gz UAFBVIPOLPAPMH-NVXWUHKLSA-N 2 2 359.474 0.922 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)c(C)n1 ZINC001084832705 1258377144 /nfs/dbraw/zinc/37/71/44/1258377144.db2.gz UAFBVIPOLPAPMH-NVXWUHKLSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833975 1258379946 /nfs/dbraw/zinc/37/99/46/1258379946.db2.gz FGMSJUGKQZLXKO-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP Cc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833975 1258379953 /nfs/dbraw/zinc/37/99/53/1258379953.db2.gz FGMSJUGKQZLXKO-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncoc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833992 1258382535 /nfs/dbraw/zinc/38/25/35/1258382535.db2.gz GCCILZVCNARHLW-USXIJHARSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncoc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833992 1258382542 /nfs/dbraw/zinc/38/25/42/1258382542.db2.gz GCCILZVCNARHLW-USXIJHARSA-N 2 2 362.474 0.984 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844488 1258393834 /nfs/dbraw/zinc/39/38/34/1258393834.db2.gz VQNFPWUHQVIYJP-OLMNPRSZSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844488 1258393840 /nfs/dbraw/zinc/39/38/40/1258393840.db2.gz VQNFPWUHQVIYJP-OLMNPRSZSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844488 1258393845 /nfs/dbraw/zinc/39/38/45/1258393845.db2.gz VQNFPWUHQVIYJP-OLMNPRSZSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844488 1258393851 /nfs/dbraw/zinc/39/38/51/1258393851.db2.gz VQNFPWUHQVIYJP-OLMNPRSZSA-N 2 2 362.474 0.990 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC001084849755 1258400315 /nfs/dbraw/zinc/40/03/15/1258400315.db2.gz SAOKNKWCSRCFEO-FGTMMUONSA-N 2 2 356.470 0.783 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCNC4=O)C[C@H]32)c1 ZINC001084849755 1258400316 /nfs/dbraw/zinc/40/03/16/1258400316.db2.gz SAOKNKWCSRCFEO-FGTMMUONSA-N 2 2 356.470 0.783 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]32)[nH]1 ZINC001084941585 1258454606 /nfs/dbraw/zinc/45/46/06/1258454606.db2.gz RDDLHWRQVMOKLZ-ZACQAIPSSA-N 2 2 358.490 0.878 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]32)[nH]1 ZINC001084941585 1258454609 /nfs/dbraw/zinc/45/46/09/1258454609.db2.gz RDDLHWRQVMOKLZ-ZACQAIPSSA-N 2 2 358.490 0.878 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970193 1258483311 /nfs/dbraw/zinc/48/33/11/1258483311.db2.gz STYNQCVLLRGUNI-SKWUIDRYSA-N 2 2 373.501 0.927 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970193 1258483316 /nfs/dbraw/zinc/48/33/16/1258483316.db2.gz STYNQCVLLRGUNI-SKWUIDRYSA-N 2 2 373.501 0.927 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970193 1258483319 /nfs/dbraw/zinc/48/33/19/1258483319.db2.gz STYNQCVLLRGUNI-SKWUIDRYSA-N 2 2 373.501 0.927 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970193 1258483322 /nfs/dbraw/zinc/48/33/22/1258483322.db2.gz STYNQCVLLRGUNI-SKWUIDRYSA-N 2 2 373.501 0.927 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21)NC1CC1 ZINC001084975797 1258487396 /nfs/dbraw/zinc/48/73/96/1258487396.db2.gz UEBAAVGFJZRUIO-VKJFTORMSA-N 2 2 371.485 0.647 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21)NC1CC1 ZINC001084975797 1258487400 /nfs/dbraw/zinc/48/74/00/1258487400.db2.gz UEBAAVGFJZRUIO-VKJFTORMSA-N 2 2 371.485 0.647 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975453 1258487940 /nfs/dbraw/zinc/48/79/40/1258487940.db2.gz FVGFUEQVHDESNP-ZACQAIPSSA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975453 1258487943 /nfs/dbraw/zinc/48/79/43/1258487943.db2.gz FVGFUEQVHDESNP-ZACQAIPSSA-N 2 2 369.473 0.660 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001084990310 1258501695 /nfs/dbraw/zinc/50/16/95/1258501695.db2.gz OVLSRCLPRSMHIL-WBVHZDCISA-N 2 2 359.474 0.735 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@H]2C1 ZINC001084990310 1258501698 /nfs/dbraw/zinc/50/16/98/1258501698.db2.gz OVLSRCLPRSMHIL-WBVHZDCISA-N 2 2 359.474 0.735 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@@H]32)nn1 ZINC001084990137 1258501743 /nfs/dbraw/zinc/50/17/43/1258501743.db2.gz BEAYQACHUGXVEZ-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@@H]32)nn1 ZINC001084990137 1258501751 /nfs/dbraw/zinc/50/17/51/1258501751.db2.gz BEAYQACHUGXVEZ-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@H+](Cc4cnnn4C)[C@H]3C2)CC1 ZINC001085062552 1258557003 /nfs/dbraw/zinc/55/70/03/1258557003.db2.gz CWWGMVUWGGSGTE-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP CC1CC[NH+](CC(=O)N2CC[C@H]3CC[N@@H+](Cc4cnnn4C)[C@H]3C2)CC1 ZINC001085062552 1258557007 /nfs/dbraw/zinc/55/70/07/1258557007.db2.gz CWWGMVUWGGSGTE-AEFFLSMTSA-N 2 2 360.506 0.970 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001085076247 1258572034 /nfs/dbraw/zinc/57/20/34/1258572034.db2.gz UBRJLLFXMXELAT-KDOFPFPSSA-N 2 2 371.485 0.963 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@H]2C1 ZINC001085076247 1258572039 /nfs/dbraw/zinc/57/20/39/1258572039.db2.gz UBRJLLFXMXELAT-KDOFPFPSSA-N 2 2 371.485 0.963 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001087519560 1258639430 /nfs/dbraw/zinc/63/94/30/1258639430.db2.gz SPBXYYBJRBGFNG-GVDBMIGSSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087519560 1258639437 /nfs/dbraw/zinc/63/94/37/1258639437.db2.gz SPBXYYBJRBGFNG-GVDBMIGSSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087519560 1258639446 /nfs/dbraw/zinc/63/94/46/1258639446.db2.gz SPBXYYBJRBGFNG-GVDBMIGSSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087519560 1258639451 /nfs/dbraw/zinc/63/94/51/1258639451.db2.gz SPBXYYBJRBGFNG-GVDBMIGSSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088123699 1258650488 /nfs/dbraw/zinc/65/04/88/1258650488.db2.gz BOMVNPDILFIMBZ-ZACQAIPSSA-N 2 2 359.474 0.847 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088123699 1258650493 /nfs/dbraw/zinc/65/04/93/1258650493.db2.gz BOMVNPDILFIMBZ-ZACQAIPSSA-N 2 2 359.474 0.847 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088171076 1258689071 /nfs/dbraw/zinc/68/90/71/1258689071.db2.gz WROVHUIGEDPBML-ILXRZTDVSA-N 2 2 359.474 0.746 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088171076 1258689079 /nfs/dbraw/zinc/68/90/79/1258689079.db2.gz WROVHUIGEDPBML-ILXRZTDVSA-N 2 2 359.474 0.746 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)C1=O ZINC001088170774 1258691479 /nfs/dbraw/zinc/69/14/79/1258691479.db2.gz FXQXBFZYTIGWQT-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)C1=O ZINC001088170774 1258691488 /nfs/dbraw/zinc/69/14/88/1258691488.db2.gz FXQXBFZYTIGWQT-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170989 1258691560 /nfs/dbraw/zinc/69/15/60/1258691560.db2.gz RBWXHHSXLRBHRG-CVEARBPZSA-N 2 2 371.489 0.863 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170989 1258691578 /nfs/dbraw/zinc/69/15/78/1258691578.db2.gz RBWXHHSXLRBHRG-CVEARBPZSA-N 2 2 371.489 0.863 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187251 1258708819 /nfs/dbraw/zinc/70/88/19/1258708819.db2.gz NWSIOJKDKYPPAK-OAGGEKHMSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187251 1258708823 /nfs/dbraw/zinc/70/88/23/1258708823.db2.gz NWSIOJKDKYPPAK-OAGGEKHMSA-N 2 2 361.490 0.610 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200280 1258721384 /nfs/dbraw/zinc/72/13/84/1258721384.db2.gz WGVSBWYPGRKEKK-KFWWJZLASA-N 2 2 359.478 0.240 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200280 1258721386 /nfs/dbraw/zinc/72/13/86/1258721386.db2.gz WGVSBWYPGRKEKK-KFWWJZLASA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200280 1258721393 /nfs/dbraw/zinc/72/13/93/1258721393.db2.gz WGVSBWYPGRKEKK-KFWWJZLASA-N 2 2 359.478 0.240 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C4CC4)CC[C@@H]3C2)C1 ZINC001088200280 1258721396 /nfs/dbraw/zinc/72/13/96/1258721396.db2.gz WGVSBWYPGRKEKK-KFWWJZLASA-N 2 2 359.478 0.240 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088202257 1258723296 /nfs/dbraw/zinc/72/32/96/1258723296.db2.gz RDKJSTDKPTZIHI-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)n1 ZINC001088202257 1258723303 /nfs/dbraw/zinc/72/33/03/1258723303.db2.gz RDKJSTDKPTZIHI-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)nn1 ZINC001092724463 1258819335 /nfs/dbraw/zinc/81/93/35/1258819335.db2.gz NDUBRXHIDFZYCE-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)nn1 ZINC001092724463 1258819343 /nfs/dbraw/zinc/81/93/43/1258819343.db2.gz NDUBRXHIDFZYCE-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)nn1 ZINC001092724463 1258819350 /nfs/dbraw/zinc/81/93/50/1258819350.db2.gz NDUBRXHIDFZYCE-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)nn1 ZINC001092724463 1258819358 /nfs/dbraw/zinc/81/93/58/1258819358.db2.gz NDUBRXHIDFZYCE-KCYZZUKISA-N 2 2 364.494 0.201 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092748002 1258823854 /nfs/dbraw/zinc/82/38/54/1258823854.db2.gz MBMNHYRVYCOGMW-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092748002 1258823861 /nfs/dbraw/zinc/82/38/61/1258823861.db2.gz MBMNHYRVYCOGMW-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734834 1258824817 /nfs/dbraw/zinc/82/48/17/1258824817.db2.gz KARVYGYSVNBWAR-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092734834 1258824823 /nfs/dbraw/zinc/82/48/23/1258824823.db2.gz KARVYGYSVNBWAR-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092734834 1258824832 /nfs/dbraw/zinc/82/48/32/1258824832.db2.gz KARVYGYSVNBWAR-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092734834 1258824838 /nfs/dbraw/zinc/82/48/38/1258824838.db2.gz KARVYGYSVNBWAR-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820589 1258856584 /nfs/dbraw/zinc/85/65/84/1258856584.db2.gz JAHNIFKKVWEHEO-RBSFLKMASA-N 2 2 355.442 0.911 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092820589 1258856591 /nfs/dbraw/zinc/85/65/91/1258856591.db2.gz JAHNIFKKVWEHEO-RBSFLKMASA-N 2 2 355.442 0.911 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092874297 1258876452 /nfs/dbraw/zinc/87/64/52/1258876452.db2.gz WMZKCVDVLJCEAR-SNPRPXQTSA-N 2 2 357.462 0.931 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092874297 1258876461 /nfs/dbraw/zinc/87/64/61/1258876461.db2.gz WMZKCVDVLJCEAR-SNPRPXQTSA-N 2 2 357.462 0.931 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686710 1258913417 /nfs/dbraw/zinc/91/34/17/1258913417.db2.gz OCSPWUDLGXCXMX-QDIHITRGSA-N 2 2 361.490 0.875 20 0 FCADLP CCN(CC)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001100686221 1258914248 /nfs/dbraw/zinc/91/42/48/1258914248.db2.gz AJEPMYAKZKMNAV-QDIHITRGSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104364060 1258916082 /nfs/dbraw/zinc/91/60/82/1258916082.db2.gz VHLPGTUKGYFTAX-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001331472274 1266221065 /nfs/dbraw/zinc/22/10/65/1266221065.db2.gz AIAIAQVHPFIQFZ-QZTJIDSGSA-N 2 2 374.485 0.521 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705004 1258943742 /nfs/dbraw/zinc/94/37/42/1258943742.db2.gz NAGAJYVHWAQETM-QLFBSQMISA-N 2 2 365.478 0.178 20 0 FCADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C3)[nH+]c12 ZINC001106763961 1258957704 /nfs/dbraw/zinc/95/77/04/1258957704.db2.gz ZZFLYPMRVSBBQM-HZPDHXFCSA-N 2 2 371.485 0.958 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C)C(N)=O ZINC001106830537 1258972526 /nfs/dbraw/zinc/97/25/26/1258972526.db2.gz SNTMAVVZYQRQTJ-MGPQQGTHSA-N 2 2 356.430 0.439 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830640 1258973142 /nfs/dbraw/zinc/97/31/42/1258973142.db2.gz UNIVTDZYTUOPTI-RBSFLKMASA-N 2 2 370.457 0.700 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NCC(C)(C)C ZINC001106876955 1258985454 /nfs/dbraw/zinc/98/54/54/1258985454.db2.gz GMINYJVINWPBIM-HUUCEWRRSA-N 2 2 363.506 0.809 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876972 1258985590 /nfs/dbraw/zinc/98/55/90/1258985590.db2.gz HCAUYVIIGQJLHN-OWCLPIDISA-N 2 2 363.506 0.807 20 0 FCADLP CCN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937350 1258999874 /nfs/dbraw/zinc/99/98/74/1258999874.db2.gz VGLIPCSZBUUKSQ-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001107491552 1259101858 /nfs/dbraw/zinc/10/18/58/1259101858.db2.gz FMITYVJYYWNXHO-SJLPKXTDSA-N 2 2 357.462 0.926 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001107491552 1259101862 /nfs/dbraw/zinc/10/18/62/1259101862.db2.gz FMITYVJYYWNXHO-SJLPKXTDSA-N 2 2 357.462 0.926 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107546657 1259113062 /nfs/dbraw/zinc/11/30/62/1259113062.db2.gz KVHZFIOBURMZPE-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](Cc1nnnn1C)CC2 ZINC001107546657 1259113066 /nfs/dbraw/zinc/11/30/66/1259113066.db2.gz KVHZFIOBURMZPE-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107546657 1259113071 /nfs/dbraw/zinc/11/30/71/1259113071.db2.gz KVHZFIOBURMZPE-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107546657 1259113073 /nfs/dbraw/zinc/11/30/73/1259113073.db2.gz KVHZFIOBURMZPE-IIDMSEBBSA-N 2 2 361.494 0.555 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2 ZINC001107561648 1259118025 /nfs/dbraw/zinc/11/80/25/1259118025.db2.gz OCEBWCVKGHJGHR-VQIMIIECSA-N 2 2 359.474 0.935 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCN1CCCC1=O)CC2 ZINC001107561648 1259118028 /nfs/dbraw/zinc/11/80/28/1259118028.db2.gz OCEBWCVKGHJGHR-VQIMIIECSA-N 2 2 359.474 0.935 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC001107560601 1259118748 /nfs/dbraw/zinc/11/87/48/1259118748.db2.gz RIQFHDHZAWEHJX-VQIMIIECSA-N 2 2 359.474 0.935 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC001107560601 1259118751 /nfs/dbraw/zinc/11/87/51/1259118751.db2.gz RIQFHDHZAWEHJX-VQIMIIECSA-N 2 2 359.474 0.935 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[NH+](CCOCCOC)CCO2)CC[N@@H+]1C ZINC001107953174 1259147659 /nfs/dbraw/zinc/14/76/59/1259147659.db2.gz TZVFXTQTRMUPGH-YQVWRLOYSA-N 2 2 371.522 0.587 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[NH+](CCOCCOC)CCO2)CC[N@H+]1C ZINC001107953174 1259147663 /nfs/dbraw/zinc/14/76/63/1259147663.db2.gz TZVFXTQTRMUPGH-YQVWRLOYSA-N 2 2 371.522 0.587 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCOCCOC)CCO2)CC[NH+]1C ZINC001107953174 1259147667 /nfs/dbraw/zinc/14/76/67/1259147667.db2.gz TZVFXTQTRMUPGH-YQVWRLOYSA-N 2 2 371.522 0.587 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCOCCOC)CCO2)CC[NH+]1C ZINC001107953174 1259147672 /nfs/dbraw/zinc/14/76/72/1259147672.db2.gz TZVFXTQTRMUPGH-YQVWRLOYSA-N 2 2 371.522 0.587 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCOC3CCC3)CCO2)O1 ZINC001108024980 1259152957 /nfs/dbraw/zinc/15/29/57/1259152957.db2.gz RVTGSTJLVBUNBY-SZVBFZGTSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@]2(C)C[NH+](CCOC3CCC3)CCO2)O1 ZINC001108024980 1259152963 /nfs/dbraw/zinc/15/29/63/1259152963.db2.gz RVTGSTJLVBUNBY-SZVBFZGTSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@H+](CCOC3CCC3)CCO2)O1 ZINC001108024980 1259152968 /nfs/dbraw/zinc/15/29/68/1259152968.db2.gz RVTGSTJLVBUNBY-SZVBFZGTSA-N 2 2 369.506 0.482 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCOC3CCC3)CCO2)O1 ZINC001108024980 1259152972 /nfs/dbraw/zinc/15/29/72/1259152972.db2.gz RVTGSTJLVBUNBY-SZVBFZGTSA-N 2 2 369.506 0.482 20 0 FCADLP CCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108553675 1259158405 /nfs/dbraw/zinc/15/84/05/1259158405.db2.gz SPTKSPYPKNWLJH-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP CCCCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001108553675 1259158410 /nfs/dbraw/zinc/15/84/10/1259158410.db2.gz SPTKSPYPKNWLJH-BFYDXBDKSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129059846 1259300791 /nfs/dbraw/zinc/30/07/91/1259300791.db2.gz GCKGMMXZSZADED-SQNIBIBYSA-N 2 2 371.489 0.801 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129059846 1259300798 /nfs/dbraw/zinc/30/07/98/1259300798.db2.gz GCKGMMXZSZADED-SQNIBIBYSA-N 2 2 371.489 0.801 20 0 FCADLP COC(=O)C1CCN(c2cc(NC(=[NH2+])N3CC[NH+](C)CC3)ncn2)CC1 ZINC001168736153 1259390606 /nfs/dbraw/zinc/39/06/06/1259390606.db2.gz ZGGVPHSGYBIPIS-UHFFFAOYSA-N 2 2 361.450 0.460 20 0 FCADLP NC(=O)C1CC[NH+](CCC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001180610202 1259395825 /nfs/dbraw/zinc/39/58/25/1259395825.db2.gz FWLCNVYCZBGQHV-OAHLLOKOSA-N 2 2 372.460 0.906 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297377 1259456624 /nfs/dbraw/zinc/45/66/24/1259456624.db2.gz BIAPLCAQOYLDTA-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297377 1259456630 /nfs/dbraw/zinc/45/66/30/1259456630.db2.gz BIAPLCAQOYLDTA-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297377 1259456634 /nfs/dbraw/zinc/45/66/34/1259456634.db2.gz BIAPLCAQOYLDTA-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297377 1259456644 /nfs/dbraw/zinc/45/66/44/1259456644.db2.gz BIAPLCAQOYLDTA-KLHDSHLOSA-N 2 2 368.522 0.447 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001212315070 1259462400 /nfs/dbraw/zinc/46/24/00/1259462400.db2.gz QSCYWSLZWXTSFL-QGZVFWFLSA-N 2 2 372.473 0.996 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)c1 ZINC001212410846 1259494732 /nfs/dbraw/zinc/49/47/32/1259494732.db2.gz WXMNGTGKNOJZGA-KZNAEPCWSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@H](OC)C2)c1 ZINC001212410846 1259494735 /nfs/dbraw/zinc/49/47/35/1259494735.db2.gz WXMNGTGKNOJZGA-KZNAEPCWSA-N 2 2 362.474 0.746 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414548 1259495597 /nfs/dbraw/zinc/49/55/97/1259495597.db2.gz NGJQRPKWVMZHOU-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414548 1259495599 /nfs/dbraw/zinc/49/55/99/1259495599.db2.gz NGJQRPKWVMZHOU-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414548 1259495602 /nfs/dbraw/zinc/49/56/02/1259495602.db2.gz NGJQRPKWVMZHOU-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414548 1259495603 /nfs/dbraw/zinc/49/56/03/1259495603.db2.gz NGJQRPKWVMZHOU-IAGOWNOFSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418479 1259496984 /nfs/dbraw/zinc/49/69/84/1259496984.db2.gz ICMKLHFFAKLTMW-DJIMGWMZSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418479 1259496997 /nfs/dbraw/zinc/49/69/97/1259496997.db2.gz ICMKLHFFAKLTMW-DJIMGWMZSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418479 1259497000 /nfs/dbraw/zinc/49/70/00/1259497000.db2.gz ICMKLHFFAKLTMW-DJIMGWMZSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418479 1259497003 /nfs/dbraw/zinc/49/70/03/1259497003.db2.gz ICMKLHFFAKLTMW-DJIMGWMZSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001212442570 1259507903 /nfs/dbraw/zinc/50/79/03/1259507903.db2.gz PNRPUHHXRSARGX-IXDOHACOSA-N 2 2 368.478 0.295 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001212442570 1259507906 /nfs/dbraw/zinc/50/79/06/1259507906.db2.gz PNRPUHHXRSARGX-IXDOHACOSA-N 2 2 368.478 0.295 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212483685 1259520174 /nfs/dbraw/zinc/52/01/74/1259520174.db2.gz NVENLQCOCYHASS-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212483685 1259520177 /nfs/dbraw/zinc/52/01/77/1259520177.db2.gz NVENLQCOCYHASS-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212483685 1259520179 /nfs/dbraw/zinc/52/01/79/1259520179.db2.gz NVENLQCOCYHASS-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1OC ZINC001212483685 1259520182 /nfs/dbraw/zinc/52/01/82/1259520182.db2.gz NVENLQCOCYHASS-HUUCEWRRSA-N 2 2 371.526 0.240 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212496119 1259526095 /nfs/dbraw/zinc/52/60/95/1259526095.db2.gz ZSNHRPFFLJGAGO-OWCLPIDISA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001212496119 1259526098 /nfs/dbraw/zinc/52/60/98/1259526098.db2.gz ZSNHRPFFLJGAGO-OWCLPIDISA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001212496119 1259526105 /nfs/dbraw/zinc/52/61/05/1259526105.db2.gz ZSNHRPFFLJGAGO-OWCLPIDISA-N 2 2 366.506 0.343 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001212496119 1259526107 /nfs/dbraw/zinc/52/61/07/1259526107.db2.gz ZSNHRPFFLJGAGO-OWCLPIDISA-N 2 2 366.506 0.343 20 0 FCADLP CNC(=O)[C@]12C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@H]1N(c1ncccn1)CCC2 ZINC001235573918 1259577860 /nfs/dbraw/zinc/57/78/60/1259577860.db2.gz WUGKBFSPYKVDCV-QMTMVMCOSA-N 2 2 374.489 0.218 20 0 FCADLP CNC(=O)[C@]12C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@H]1N(c1ncccn1)CCC2 ZINC001235573918 1259577862 /nfs/dbraw/zinc/57/78/62/1259577862.db2.gz WUGKBFSPYKVDCV-QMTMVMCOSA-N 2 2 374.489 0.218 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CCN1C(C)=O ZINC001236896809 1259593011 /nfs/dbraw/zinc/59/30/11/1259593011.db2.gz ZJVQEFVUNRKHOB-IBGZPJMESA-N 2 2 374.485 0.644 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CCN1C(C)=O ZINC001236896809 1259593017 /nfs/dbraw/zinc/59/30/17/1259593017.db2.gz ZJVQEFVUNRKHOB-IBGZPJMESA-N 2 2 374.485 0.644 20 0 FCADLP O=C(NCc1ccc(C(F)(F)F)cc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286471 1259624521 /nfs/dbraw/zinc/62/45/21/1259624521.db2.gz KOIDXPGETCUETD-UHFFFAOYSA-N 2 2 373.423 0.999 20 0 FCADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CN[C@H](C(=O)OC)C3)cc2)CC1 ZINC001246237978 1259651492 /nfs/dbraw/zinc/65/14/92/1259651492.db2.gz USNMPMNSZPXZNI-OALUTQOASA-N 2 2 360.502 0.817 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564948 1259655156 /nfs/dbraw/zinc/65/51/56/1259655156.db2.gz GVUNMFREISFZKF-WCXIOVBPSA-N 2 2 361.442 0.227 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001246564948 1259655161 /nfs/dbraw/zinc/65/51/61/1259655161.db2.gz GVUNMFREISFZKF-WCXIOVBPSA-N 2 2 361.442 0.227 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C[NH2+]1 ZINC001246746004 1259678050 /nfs/dbraw/zinc/67/80/50/1259678050.db2.gz QOILJMSSGZHOPG-RDJZCZTQSA-N 2 2 361.490 0.631 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335505559 1259689581 /nfs/dbraw/zinc/68/95/81/1259689581.db2.gz KGYDYHZSFPERSY-GOEBONIOSA-N 2 2 354.470 0.431 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](CF)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335505559 1259689590 /nfs/dbraw/zinc/68/95/90/1259689590.db2.gz KGYDYHZSFPERSY-GOEBONIOSA-N 2 2 354.470 0.431 20 0 FCADLP CCn1nnc2c1[C@@H](c1nc(-c3ccc4c(n3)CC[NH2+]C4)no1)C[NH2+]C2 ZINC001247132485 1259699905 /nfs/dbraw/zinc/69/99/05/1259699905.db2.gz BYLLTRYUQJPEDU-NSHDSACASA-N 2 2 352.402 0.624 20 0 FCADLP O[C@H](CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251014729 1259729581 /nfs/dbraw/zinc/72/95/81/1259729581.db2.gz GABULNYAEJRBJB-SLFFLAALSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@H](CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251014729 1259729590 /nfs/dbraw/zinc/72/95/90/1259729590.db2.gz GABULNYAEJRBJB-SLFFLAALSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014729 1259729598 /nfs/dbraw/zinc/72/95/98/1259729598.db2.gz GABULNYAEJRBJB-SLFFLAALSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@@H](CN1CCOCC1)C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014729 1259729606 /nfs/dbraw/zinc/72/96/06/1259729606.db2.gz GABULNYAEJRBJB-SLFFLAALSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014729 1259729612 /nfs/dbraw/zinc/72/96/12/1259729612.db2.gz GABULNYAEJRBJB-SLFFLAALSA-N 2 2 367.534 0.502 20 0 FCADLP O[C@@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001251014729 1259729618 /nfs/dbraw/zinc/72/96/18/1259729618.db2.gz GABULNYAEJRBJB-SLFFLAALSA-N 2 2 367.534 0.502 20 0 FCADLP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001335604417 1259738884 /nfs/dbraw/zinc/73/88/84/1259738884.db2.gz NUTOERXHBSFVRR-HOTGVXAUSA-N 2 2 352.479 0.261 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335631594 1259752906 /nfs/dbraw/zinc/75/29/06/1259752906.db2.gz ZQUMMFZPRRKVKT-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001251751917 1259758472 /nfs/dbraw/zinc/75/84/72/1259758472.db2.gz RALLOYTVVXWJFA-GOSISDBHSA-N 2 2 373.501 0.763 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001251751917 1259758479 /nfs/dbraw/zinc/75/84/79/1259758479.db2.gz RALLOYTVVXWJFA-GOSISDBHSA-N 2 2 373.501 0.763 20 0 FCADLP CCCCOC[C@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001252502456 1259793686 /nfs/dbraw/zinc/79/36/86/1259793686.db2.gz WOEVYVZXJPGQOA-MRXNPFEDSA-N 2 2 367.494 0.489 20 0 FCADLP CCCCOC[C@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252508623 1259794391 /nfs/dbraw/zinc/79/43/91/1259794391.db2.gz WFTMVIKUCAPGPD-CQSZACIVSA-N 2 2 368.478 0.502 20 0 FCADLP CCCCOC[C@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252508623 1259794393 /nfs/dbraw/zinc/79/43/93/1259794393.db2.gz WFTMVIKUCAPGPD-CQSZACIVSA-N 2 2 368.478 0.502 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926514 1259813648 /nfs/dbraw/zinc/81/36/48/1259813648.db2.gz RNEUSIUTYDNGCJ-BNDYYXHWSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926514 1259813655 /nfs/dbraw/zinc/81/36/55/1259813655.db2.gz RNEUSIUTYDNGCJ-BNDYYXHWSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC001252926514 1259813663 /nfs/dbraw/zinc/81/36/63/1259813663.db2.gz RNEUSIUTYDNGCJ-BNDYYXHWSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001252926514 1259813668 /nfs/dbraw/zinc/81/36/68/1259813668.db2.gz RNEUSIUTYDNGCJ-BNDYYXHWSA-N 2 2 373.497 0.943 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001253185916 1259829441 /nfs/dbraw/zinc/82/94/41/1259829441.db2.gz UXWDWEJIMRBYQV-LMMKCTJWSA-N 2 2 368.522 0.443 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001253185916 1259829451 /nfs/dbraw/zinc/82/94/51/1259829451.db2.gz UXWDWEJIMRBYQV-LMMKCTJWSA-N 2 2 368.522 0.443 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001253204057 1259831012 /nfs/dbraw/zinc/83/10/12/1259831012.db2.gz PENDVXCPAWBGMI-KKUMJFAQSA-N 2 2 373.494 0.830 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H]1CCC[N@H+](C)C1)CC2 ZINC001255487403 1259916628 /nfs/dbraw/zinc/91/66/28/1259916628.db2.gz BYMLZWGARRYFOE-OAHLLOKOSA-N 2 2 360.506 0.260 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001255487403 1259916634 /nfs/dbraw/zinc/91/66/34/1259916634.db2.gz BYMLZWGARRYFOE-OAHLLOKOSA-N 2 2 360.506 0.260 20 0 FCADLP C[NH+]1CCC([NH+]2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC1 ZINC001256207777 1259938063 /nfs/dbraw/zinc/93/80/63/1259938063.db2.gz QIGZEDGJVMTGGF-UHFFFAOYSA-N 2 2 359.474 0.878 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001522012404 1266298849 /nfs/dbraw/zinc/29/88/49/1266298849.db2.gz ZBIBTZUFLMMHCR-AEFFLSMTSA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001522012404 1266298851 /nfs/dbraw/zinc/29/88/51/1266298851.db2.gz ZBIBTZUFLMMHCR-AEFFLSMTSA-N 3 2 367.538 0.103 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001256956649 1259984051 /nfs/dbraw/zinc/98/40/51/1259984051.db2.gz UWSNWQLQJOVQJT-QGZVFWFLSA-N 2 2 371.485 0.995 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001256956649 1259984056 /nfs/dbraw/zinc/98/40/56/1259984056.db2.gz UWSNWQLQJOVQJT-QGZVFWFLSA-N 2 2 371.485 0.995 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC001258414383 1260049719 /nfs/dbraw/zinc/04/97/19/1260049719.db2.gz UWQWOVQBDHZEOV-HNNXBMFYSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC001258414383 1260049728 /nfs/dbraw/zinc/04/97/28/1260049728.db2.gz UWQWOVQBDHZEOV-HNNXBMFYSA-N 2 2 364.490 0.053 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261524193 1260154371 /nfs/dbraw/zinc/15/43/71/1260154371.db2.gz SAUHRFKZYQLOOI-UGUYLWEFSA-N 2 2 363.462 0.133 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)c2ccccc2F)CN1CC[NH+]1CCOCC1 ZINC001336784335 1260223463 /nfs/dbraw/zinc/22/34/63/1260223463.db2.gz FUMOFIDGIYPWPG-PBHICJAKSA-N 2 2 351.422 0.382 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001336926787 1260256185 /nfs/dbraw/zinc/25/61/85/1260256185.db2.gz PRJJZKHUBZJMFE-SJORKVTESA-N 2 2 366.506 0.651 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cnn(C)c1)OC ZINC001263944321 1260358786 /nfs/dbraw/zinc/35/87/86/1260358786.db2.gz ZDQDJNYGHYWYSY-HRCADAONSA-N 2 2 360.462 0.695 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001264646283 1260388892 /nfs/dbraw/zinc/38/88/92/1260388892.db2.gz ILRDPTCAQKDZLZ-KBMXLJTQSA-N 2 2 358.442 0.964 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001264646283 1260388898 /nfs/dbraw/zinc/38/88/98/1260388898.db2.gz ILRDPTCAQKDZLZ-KBMXLJTQSA-N 2 2 358.442 0.964 20 0 FCADLP CN1CC[NH+](CC2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)CC1 ZINC001337804120 1260488704 /nfs/dbraw/zinc/48/87/04/1260488704.db2.gz XUPXOLVQFIQPJI-UHFFFAOYSA-N 2 2 360.506 0.777 20 0 FCADLP CN1C[C@@H](C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)CC1=O ZINC001273119087 1260594168 /nfs/dbraw/zinc/59/41/68/1260594168.db2.gz HKSRUKNQYQNRDP-IPELMVKDSA-N 2 2 359.474 0.913 20 0 FCADLP Cc1noc(CN2C(=O)C[C@]3(CCC[N@@H+](Cc4c[nH+]c(C)[nH]4)C3)C2=O)n1 ZINC001277732724 1260665017 /nfs/dbraw/zinc/66/50/17/1260665017.db2.gz IHUZETPGESEKMB-KRWDZBQOSA-N 2 2 358.402 0.951 20 0 FCADLP Cc1noc(CN2C(=O)C[C@]3(CCC[N@H+](Cc4c[nH+]c(C)[nH]4)C3)C2=O)n1 ZINC001277732724 1260665022 /nfs/dbraw/zinc/66/50/22/1260665022.db2.gz IHUZETPGESEKMB-KRWDZBQOSA-N 2 2 358.402 0.951 20 0 FCADLP Cc1[nH]c(C[N@@H+]2CCC[C@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732443 1260665940 /nfs/dbraw/zinc/66/59/40/1260665940.db2.gz CQVUCVMFNWLTRL-ACJLOTCBSA-N 2 2 359.430 0.338 20 0 FCADLP Cc1[nH]c(C[N@H+]2CCC[C@]3(CC(=O)N(C[C@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732443 1260665950 /nfs/dbraw/zinc/66/59/50/1260665950.db2.gz CQVUCVMFNWLTRL-ACJLOTCBSA-N 2 2 359.430 0.338 20 0 FCADLP COC(=O)[C@@H](O)C[NH+]1CCC2(CCC(=O)N(Cc3c[nH+]cn3C)C2)CC1 ZINC001277777785 1260668278 /nfs/dbraw/zinc/66/82/78/1260668278.db2.gz YQPDHJZNJZUGIM-HNNXBMFYSA-N 2 2 364.446 0.159 20 0 FCADLP Cc1c[nH+]c(N2CC3(C2)CN(CC[NH+](C)C)C(=O)CO3)nc1NC(C)C ZINC001277921051 1260677606 /nfs/dbraw/zinc/67/76/06/1260677606.db2.gz GVNQWYAINNKCMA-UHFFFAOYSA-N 2 2 362.478 0.585 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC2(C1)C[NH+](CC1C(=O)N=CNC1=O)C2 ZINC001278560993 1260708559 /nfs/dbraw/zinc/70/85/59/1260708559.db2.gz QLEBBJODUSOCIY-AWEZNQCLSA-N 2 2 359.430 0.016 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc(O)c1OC ZINC001278749316 1260723700 /nfs/dbraw/zinc/72/37/00/1260723700.db2.gz JDYYKHVKNIFCAU-IYBDPMFKSA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc(O)c1OC ZINC001278749316 1260723703 /nfs/dbraw/zinc/72/37/03/1260723703.db2.gz JDYYKHVKNIFCAU-IYBDPMFKSA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001279313007 1260835776 /nfs/dbraw/zinc/83/57/76/1260835776.db2.gz ISXYKOJHRHTXAC-APWZRJJASA-N 2 2 365.474 0.856 20 0 FCADLP COc1cc(O)cc(OC)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001279313007 1260835783 /nfs/dbraw/zinc/83/57/83/1260835783.db2.gz ISXYKOJHRHTXAC-APWZRJJASA-N 2 2 365.474 0.856 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCN(C)C)C[C@H]23)no1 ZINC001279402340 1260861868 /nfs/dbraw/zinc/86/18/68/1260861868.db2.gz BMDWBSFNEQCITC-IAGOWNOFSA-N 2 2 361.490 0.557 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCN(C)C)C[C@H]23)no1 ZINC001279402340 1260861871 /nfs/dbraw/zinc/86/18/71/1260861871.db2.gz BMDWBSFNEQCITC-IAGOWNOFSA-N 2 2 361.490 0.557 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@H]3CCCO3)C2)N1 ZINC001279467095 1260875059 /nfs/dbraw/zinc/87/50/59/1260875059.db2.gz HOVFDYSMXNUHGY-MJGOQNOKSA-N 2 2 361.490 0.719 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@H]3CCCO3)C2)N1 ZINC001279467095 1260875060 /nfs/dbraw/zinc/87/50/60/1260875060.db2.gz HOVFDYSMXNUHGY-MJGOQNOKSA-N 2 2 361.490 0.719 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502006 1260881437 /nfs/dbraw/zinc/88/14/37/1260881437.db2.gz MALBWWVDFJDNJH-SOUVJXGZSA-N 2 2 361.446 0.049 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502006 1260881439 /nfs/dbraw/zinc/88/14/39/1260881439.db2.gz MALBWWVDFJDNJH-SOUVJXGZSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502006 1260881441 /nfs/dbraw/zinc/88/14/41/1260881441.db2.gz MALBWWVDFJDNJH-SOUVJXGZSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279502006 1260881442 /nfs/dbraw/zinc/88/14/42/1260881442.db2.gz MALBWWVDFJDNJH-SOUVJXGZSA-N 2 2 361.446 0.049 20 0 FCADLP CC(=O)N1CCC(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CC1 ZINC001279509014 1260882216 /nfs/dbraw/zinc/88/22/16/1260882216.db2.gz UDCHMZVHHUBSII-MOPGFXCFSA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CC1 ZINC001279509014 1260882218 /nfs/dbraw/zinc/88/22/18/1260882218.db2.gz UDCHMZVHHUBSII-MOPGFXCFSA-N 2 2 361.490 0.527 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CCCC2(CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001279617009 1260900043 /nfs/dbraw/zinc/90/00/43/1260900043.db2.gz UPBCQXLGUNSZKY-UHFFFAOYSA-N 2 2 354.414 0.728 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CCCC2(CN(C(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001279617009 1260900049 /nfs/dbraw/zinc/90/00/49/1260900049.db2.gz UPBCQXLGUNSZKY-UHFFFAOYSA-N 2 2 354.414 0.728 20 0 FCADLP COCC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CC(O)C4)C3)CC2)CC1 ZINC001279722187 1260921997 /nfs/dbraw/zinc/92/19/97/1260921997.db2.gz LGNZFPKDRIRYKN-UHFFFAOYSA-N 2 2 365.518 0.793 20 0 FCADLP Cn1cnnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001280071744 1260990968 /nfs/dbraw/zinc/99/09/68/1260990968.db2.gz SCLXEXKXVKQWRY-INIZCTEOSA-N 2 2 358.490 0.724 20 0 FCADLP C[NH+]1CCC(CC[N@@H+]2CCc3c([nH]nc3C(=O)NCC3COC3)C2)CC1 ZINC001280140396 1261014111 /nfs/dbraw/zinc/01/41/11/1261014111.db2.gz KKEIDOBHGUPQOK-UHFFFAOYSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+]1CCC(CC[N@H+]2CCc3c([nH]nc3C(=O)NCC3COC3)C2)CC1 ZINC001280140396 1261014115 /nfs/dbraw/zinc/01/41/15/1261014115.db2.gz KKEIDOBHGUPQOK-UHFFFAOYSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+]1CCC(C)(C[NH+]2CC3(C2)CC[C@@H](C(=O)NCc2c[nH]cn2)O3)CC1 ZINC001280210904 1261033817 /nfs/dbraw/zinc/03/38/17/1261033817.db2.gz JKYHIGMERQUQFQ-INIZCTEOSA-N 2 2 361.490 0.991 20 0 FCADLP Cc1c[nH]c(C[N@H+]2C[C@H]3C[C@H](CC(=O)NC4CC[NH+](C)CC4)O[C@H]3C2)n1 ZINC001280218207 1261037079 /nfs/dbraw/zinc/03/70/79/1261037079.db2.gz SNZHXNXKEBJXIC-OIISXLGYSA-N 2 2 361.490 0.908 20 0 FCADLP Cc1c[nH]c(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NC4CC[NH+](C)CC4)O[C@H]3C2)n1 ZINC001280218207 1261037082 /nfs/dbraw/zinc/03/70/82/1261037082.db2.gz SNZHXNXKEBJXIC-OIISXLGYSA-N 2 2 361.490 0.908 20 0 FCADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CCCC1 ZINC001280238449 1261041273 /nfs/dbraw/zinc/04/12/73/1261041273.db2.gz ZRPSOYZGVBLPGL-JKSUJKDBSA-N 2 2 364.490 0.558 20 0 FCADLP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CCCC1 ZINC001280238449 1261041276 /nfs/dbraw/zinc/04/12/76/1261041276.db2.gz ZRPSOYZGVBLPGL-JKSUJKDBSA-N 2 2 364.490 0.558 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259418 1261043775 /nfs/dbraw/zinc/04/37/75/1261043775.db2.gz OMLRYFJMEYMBPV-WBVHZDCISA-N 2 2 361.490 0.706 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259418 1261043777 /nfs/dbraw/zinc/04/37/77/1261043777.db2.gz OMLRYFJMEYMBPV-WBVHZDCISA-N 2 2 361.490 0.706 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001282299005 1261407694 /nfs/dbraw/zinc/40/76/94/1261407694.db2.gz KOWQJRADAWIOBJ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001282299005 1261407698 /nfs/dbraw/zinc/40/76/98/1261407698.db2.gz KOWQJRADAWIOBJ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP Cn1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(-c2cccnc2)n1 ZINC001473995576 1261504657 /nfs/dbraw/zinc/50/46/57/1261504657.db2.gz ILRKLKXPXVTSAV-IBGZPJMESA-N 2 2 370.501 0.978 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001580290388 1278096961 /nfs/dbraw/zinc/09/69/61/1278096961.db2.gz IALPYVGOJCYMBK-RYUDHWBXSA-N 2 2 367.417 0.059 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526512 1261730921 /nfs/dbraw/zinc/73/09/21/1261730921.db2.gz LZXGHGXOKREBAD-FGTMMUONSA-N 2 2 368.570 0.192 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526512 1261730929 /nfs/dbraw/zinc/73/09/29/1261730929.db2.gz LZXGHGXOKREBAD-FGTMMUONSA-N 2 2 368.570 0.192 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001580291766 1278101386 /nfs/dbraw/zinc/10/13/86/1278101386.db2.gz JYPJZOAAHOGYOP-QJPTWQEYSA-N 2 2 367.417 0.137 20 0 FCADLP CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001285384358 1261837424 /nfs/dbraw/zinc/83/74/24/1261837424.db2.gz NIKFNSCZBNCYBU-HUUCEWRRSA-N 2 2 361.490 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC001289991069 1262373687 /nfs/dbraw/zinc/37/36/87/1262373687.db2.gz JMNDHLFKWTYBRN-OWCLPIDISA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]2CN(C)C(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC001289991069 1262373692 /nfs/dbraw/zinc/37/36/92/1262373692.db2.gz JMNDHLFKWTYBRN-OWCLPIDISA-N 2 2 361.490 0.752 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001290534585 1262466097 /nfs/dbraw/zinc/46/60/97/1262466097.db2.gz VOBBRTKXBFSDIH-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nnn1-c1cnn(C)c1 ZINC001292958380 1262706875 /nfs/dbraw/zinc/70/68/75/1262706875.db2.gz JYONOEQWGIBBRN-UHFFFAOYSA-N 2 2 374.493 0.407 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nnn1-c1cnn(C)c1 ZINC001292958380 1262706880 /nfs/dbraw/zinc/70/68/80/1262706880.db2.gz JYONOEQWGIBBRN-UHFFFAOYSA-N 2 2 374.493 0.407 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001293785092 1262721198 /nfs/dbraw/zinc/72/11/98/1262721198.db2.gz OHIYSAXAYQBSCX-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001293785092 1262721200 /nfs/dbraw/zinc/72/12/00/1262721200.db2.gz OHIYSAXAYQBSCX-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479425520 1263195473 /nfs/dbraw/zinc/19/54/73/1263195473.db2.gz FKAPEBPMBPEPQW-JCGIZDLHSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479425520 1263195475 /nfs/dbraw/zinc/19/54/75/1263195475.db2.gz FKAPEBPMBPEPQW-JCGIZDLHSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479425520 1263195477 /nfs/dbraw/zinc/19/54/77/1263195477.db2.gz FKAPEBPMBPEPQW-JCGIZDLHSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479425520 1263195479 /nfs/dbraw/zinc/19/54/79/1263195479.db2.gz FKAPEBPMBPEPQW-JCGIZDLHSA-N 2 2 358.486 0.929 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)C2)CC1 ZINC001312015875 1263270150 /nfs/dbraw/zinc/27/01/50/1263270150.db2.gz OMVFJIDLDKIEHF-SQWLQELKSA-N 2 2 365.478 0.295 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)C2)CC1 ZINC001312015875 1263270155 /nfs/dbraw/zinc/27/01/55/1263270155.db2.gz OMVFJIDLDKIEHF-SQWLQELKSA-N 2 2 365.478 0.295 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001482596637 1263444277 /nfs/dbraw/zinc/44/42/77/1263444277.db2.gz AMFPTHWSIHMREG-NVXWUHKLSA-N 2 2 361.490 0.428 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NCc2cccnc2)CC[N@H+]1C ZINC001482596637 1263444282 /nfs/dbraw/zinc/44/42/82/1263444282.db2.gz AMFPTHWSIHMREG-NVXWUHKLSA-N 2 2 361.490 0.428 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001482596637 1263444284 /nfs/dbraw/zinc/44/42/84/1263444284.db2.gz AMFPTHWSIHMREG-NVXWUHKLSA-N 2 2 361.490 0.428 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001482596637 1263444290 /nfs/dbraw/zinc/44/42/90/1263444290.db2.gz AMFPTHWSIHMREG-NVXWUHKLSA-N 2 2 361.490 0.428 20 0 FCADLP CN(Cc1nnc2n1CCC2)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001318857538 1263617075 /nfs/dbraw/zinc/61/70/75/1263617075.db2.gz QBXPLFAVUFNSBX-CQSZACIVSA-N 2 2 361.494 0.534 20 0 FCADLP CN(Cc1nnc2n1CCC2)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001318857538 1263617081 /nfs/dbraw/zinc/61/70/81/1263617081.db2.gz QBXPLFAVUFNSBX-CQSZACIVSA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cccnc3)CC2)CC[N@@H+]1C ZINC001494092495 1263752502 /nfs/dbraw/zinc/75/25/02/1263752502.db2.gz PAZFNVIOMLCNGO-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cccnc3)CC2)CC[N@H+]1C ZINC001494092495 1263752507 /nfs/dbraw/zinc/75/25/07/1263752507.db2.gz PAZFNVIOMLCNGO-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1C ZINC001494092495 1263752516 /nfs/dbraw/zinc/75/25/16/1263752516.db2.gz PAZFNVIOMLCNGO-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1C ZINC001494092495 1263752521 /nfs/dbraw/zinc/75/25/21/1263752521.db2.gz PAZFNVIOMLCNGO-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001320030047 1263756034 /nfs/dbraw/zinc/75/60/34/1263756034.db2.gz GKUWPYLLDOHAPP-DLBZAZTESA-N 2 2 360.506 0.405 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001320030047 1263756042 /nfs/dbraw/zinc/75/60/42/1263756042.db2.gz GKUWPYLLDOHAPP-DLBZAZTESA-N 2 2 360.506 0.405 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001496707285 1263887874 /nfs/dbraw/zinc/88/78/74/1263887874.db2.gz OFXHGZXTRXGKMW-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001496707285 1263887881 /nfs/dbraw/zinc/88/78/81/1263887881.db2.gz OFXHGZXTRXGKMW-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001496707285 1263887888 /nfs/dbraw/zinc/88/78/88/1263887888.db2.gz OFXHGZXTRXGKMW-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC(F)(F)F)CC[NH+]1C ZINC001496707285 1263887896 /nfs/dbraw/zinc/88/78/96/1263887896.db2.gz OFXHGZXTRXGKMW-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC001321174045 1263918251 /nfs/dbraw/zinc/91/82/51/1263918251.db2.gz GZMNILOZNFPMFV-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC001321174045 1263918256 /nfs/dbraw/zinc/91/82/56/1263918256.db2.gz GZMNILOZNFPMFV-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP Cc1noc([C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC001322045242 1264137183 /nfs/dbraw/zinc/13/71/83/1264137183.db2.gz OFADVONYJAIJQO-GFCCVEGCSA-N 2 2 366.466 0.040 20 0 FCADLP Cc1noc([C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC001322045242 1264137189 /nfs/dbraw/zinc/13/71/89/1264137189.db2.gz OFADVONYJAIJQO-GFCCVEGCSA-N 2 2 366.466 0.040 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001322689966 1264243741 /nfs/dbraw/zinc/24/37/41/1264243741.db2.gz XCYJTLRITFZXPS-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322956308 1264302372 /nfs/dbraw/zinc/30/23/72/1264302372.db2.gz JFOKMEOTRSFXPR-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322956308 1264302382 /nfs/dbraw/zinc/30/23/82/1264302382.db2.gz JFOKMEOTRSFXPR-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001323962717 1264548695 /nfs/dbraw/zinc/54/86/95/1264548695.db2.gz CUFQLUQIOOGWJZ-HOTGVXAUSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001323962717 1264548701 /nfs/dbraw/zinc/54/87/01/1264548701.db2.gz CUFQLUQIOOGWJZ-HOTGVXAUSA-N 2 2 357.458 0.473 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324934335 1264738406 /nfs/dbraw/zinc/73/84/06/1264738406.db2.gz MXHQGKJSPNXWCB-MRXNPFEDSA-N 2 2 368.522 0.497 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324934335 1264738413 /nfs/dbraw/zinc/73/84/13/1264738413.db2.gz MXHQGKJSPNXWCB-MRXNPFEDSA-N 2 2 368.522 0.497 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325338299 1264849754 /nfs/dbraw/zinc/84/97/54/1264849754.db2.gz JLGCCARIACGSCG-DOTOQJQBSA-N 2 2 362.474 0.118 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325338299 1264849765 /nfs/dbraw/zinc/84/97/65/1264849765.db2.gz JLGCCARIACGSCG-DOTOQJQBSA-N 2 2 362.474 0.118 20 0 FCADLP C[NH2+][C@H](C)Cc1noc(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001326486326 1265121834 /nfs/dbraw/zinc/12/18/34/1265121834.db2.gz OESVAUGNIVXQOQ-CQSZACIVSA-N 2 2 358.446 0.896 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001513998363 1265313375 /nfs/dbraw/zinc/31/33/75/1265313375.db2.gz WDUOUHMFOHJQEI-GDBMZVCRSA-N 2 2 359.474 0.364 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327453012 1265327157 /nfs/dbraw/zinc/32/71/57/1265327157.db2.gz LKMUIEBHIMJSQO-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327453012 1265327169 /nfs/dbraw/zinc/32/71/69/1265327169.db2.gz LKMUIEBHIMJSQO-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327453010 1265327766 /nfs/dbraw/zinc/32/77/66/1265327766.db2.gz LKMUIEBHIMJSQO-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327453010 1265327777 /nfs/dbraw/zinc/32/77/77/1265327777.db2.gz LKMUIEBHIMJSQO-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP O=C(NCC[NH+]1CC=CC1)c1ccc(C(=O)NCC[NH+]2CC=CC2)nc1 ZINC001327666819 1265390959 /nfs/dbraw/zinc/39/09/59/1265390959.db2.gz VCIIWTOZYXBJGP-UHFFFAOYSA-N 2 2 355.442 0.285 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001327676337 1265393369 /nfs/dbraw/zinc/39/33/69/1265393369.db2.gz VNEPZHRVVIYQMR-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001524747051 1266725489 /nfs/dbraw/zinc/72/54/89/1266725489.db2.gz XBKLKRVBMGFOCL-RRFJBIMHSA-N 2 2 359.474 0.583 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473166 1266902202 /nfs/dbraw/zinc/90/22/02/1266902202.db2.gz FRJUFEOUWMVJPW-SCLBCKFNSA-N 2 2 352.479 0.938 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@]3(C)CC(C)(C)OC3=O)C2)CC1 ZINC001527473166 1266902212 /nfs/dbraw/zinc/90/22/12/1266902212.db2.gz FRJUFEOUWMVJPW-SCLBCKFNSA-N 2 2 352.479 0.938 20 0 FCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001334257414 1266913571 /nfs/dbraw/zinc/91/35/71/1266913571.db2.gz ZJXROAANSSZNCF-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001334257414 1266913580 /nfs/dbraw/zinc/91/35/80/1266913580.db2.gz ZJXROAANSSZNCF-RDJZCZTQSA-N 2 2 356.536 0.978 20 0 FCADLP CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001528930723 1267012470 /nfs/dbraw/zinc/01/24/70/1267012470.db2.gz JRKIEGYXJXRAFE-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001529663727 1267069859 /nfs/dbraw/zinc/06/98/59/1267069859.db2.gz BMVHBJHMRYSARR-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CCCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001529663727 1267069870 /nfs/dbraw/zinc/06/98/70/1267069870.db2.gz BMVHBJHMRYSARR-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001535536987 1267299682 /nfs/dbraw/zinc/29/96/82/1267299682.db2.gz OQGQSEGRCGHKEE-ZIAGYGMSSA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001549152473 1267829624 /nfs/dbraw/zinc/82/96/24/1267829624.db2.gz DJSIRPRCUPGOKS-CFAJVAMVSA-N 2 2 362.478 0.912 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549153054 1267829935 /nfs/dbraw/zinc/82/99/35/1267829935.db2.gz JEOOGWBKXSYDDD-WMLDXEAASA-N 2 2 362.478 0.913 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153322 1267831201 /nfs/dbraw/zinc/83/12/01/1267831201.db2.gz NOUBBXOAUJWCJK-WBOJAVRRSA-N 2 2 360.462 0.618 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549153322 1267831216 /nfs/dbraw/zinc/83/12/16/1267831216.db2.gz NOUBBXOAUJWCJK-WBOJAVRRSA-N 2 2 360.462 0.618 20 0 FCADLP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549156663 1267835257 /nfs/dbraw/zinc/83/52/57/1267835257.db2.gz SPJFWNBLMQTGCT-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549156663 1267835265 /nfs/dbraw/zinc/83/52/65/1267835265.db2.gz SPJFWNBLMQTGCT-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001549157951 1267837789 /nfs/dbraw/zinc/83/77/89/1267837789.db2.gz DIBJBMBAXIHQSP-QAPCUYQASA-N 2 2 374.489 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001549161836 1267840327 /nfs/dbraw/zinc/84/03/27/1267840327.db2.gz LUVUJZJSUQKWNG-XJKSGUPXSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001549163303 1267843714 /nfs/dbraw/zinc/84/37/14/1267843714.db2.gz VKQJGFZFOJXCGE-SKDZVZGDSA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001549163303 1267843726 /nfs/dbraw/zinc/84/37/26/1267843726.db2.gz VKQJGFZFOJXCGE-SKDZVZGDSA-N 2 2 360.462 0.477 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549163310 1267844319 /nfs/dbraw/zinc/84/43/19/1267844319.db2.gz VNXONTZVRKWNGI-ZQIUZPCESA-N 2 2 362.478 0.864 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549163310 1267844331 /nfs/dbraw/zinc/84/43/31/1267844331.db2.gz VNXONTZVRKWNGI-ZQIUZPCESA-N 2 2 362.478 0.864 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001549176640 1267853017 /nfs/dbraw/zinc/85/30/17/1267853017.db2.gz QUHXEHPKUPXAPM-WMLDXEAASA-N 2 2 374.489 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC001549176480 1267854150 /nfs/dbraw/zinc/85/41/50/1267854150.db2.gz IFFGZVIEQKWYSS-JJRVBVJISA-N 2 2 362.478 0.947 20 0 FCADLP CCN(C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CC)C1 ZINC001549336050 1267902655 /nfs/dbraw/zinc/90/26/55/1267902655.db2.gz DQXWLZXHZOKXQV-GRDNDAEWSA-N 2 2 362.478 0.866 20 0 FCADLP CCN(C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CC)C1 ZINC001549336050 1267902660 /nfs/dbraw/zinc/90/26/60/1267902660.db2.gz DQXWLZXHZOKXQV-GRDNDAEWSA-N 2 2 362.478 0.866 20 0 FCADLP CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC001549336328 1267902974 /nfs/dbraw/zinc/90/29/74/1267902974.db2.gz HUSXKXXPBNPTPI-HDMKZQKVSA-N 2 2 374.489 0.960 20 0 FCADLP CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC001549336328 1267902981 /nfs/dbraw/zinc/90/29/81/1267902981.db2.gz HUSXKXXPBNPTPI-HDMKZQKVSA-N 2 2 374.489 0.960 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549357230 1267907307 /nfs/dbraw/zinc/90/73/07/1267907307.db2.gz HAOHBCXTLOTIQV-BBWFWOEESA-N 2 2 366.506 0.338 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549357232 1267907322 /nfs/dbraw/zinc/90/73/22/1267907322.db2.gz HAOHBCXTLOTIQV-ULQDDVLXSA-N 2 2 366.506 0.338 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001549553988 1267953845 /nfs/dbraw/zinc/95/38/45/1267953845.db2.gz LJUPPPBBENDEQV-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001549553988 1267953857 /nfs/dbraw/zinc/95/38/57/1267953857.db2.gz LJUPPPBBENDEQV-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001549916116 1268020744 /nfs/dbraw/zinc/02/07/44/1268020744.db2.gz OVTFFCQSILFOMO-HNNXBMFYSA-N 2 2 358.494 0.926 20 0 FCADLP CC(C)Nc1ncnc2c1ncn2C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001549916116 1268020758 /nfs/dbraw/zinc/02/07/58/1268020758.db2.gz OVTFFCQSILFOMO-HNNXBMFYSA-N 2 2 358.494 0.926 20 0 FCADLP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H](N4CC[NH+](C)CC4)C3)n2)CC1 ZINC001550002710 1268042253 /nfs/dbraw/zinc/04/22/53/1268042253.db2.gz UKPOWMKLKYFWMI-QGZVFWFLSA-N 2 2 372.517 0.295 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC001550007691 1268047552 /nfs/dbraw/zinc/04/75/52/1268047552.db2.gz KWYYKOUWYRCEET-RTBURBONSA-N 2 2 366.550 0.972 20 0 FCADLP O=C(CCN1C[C@H]2CCC[N@H+]2C[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC001550143642 1268081612 /nfs/dbraw/zinc/08/16/12/1268081612.db2.gz DVKZYJKTLNQUFI-QZTJIDSGSA-N 2 2 373.501 0.261 20 0 FCADLP O=C(CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC001550143642 1268081625 /nfs/dbraw/zinc/08/16/25/1268081625.db2.gz DVKZYJKTLNQUFI-QZTJIDSGSA-N 2 2 373.501 0.261 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550565041 1268134046 /nfs/dbraw/zinc/13/40/46/1268134046.db2.gz WQXLQKUUVQQYNU-VSZNYVQBSA-N 2 2 351.491 0.951 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550607808 1268140640 /nfs/dbraw/zinc/14/06/40/1268140640.db2.gz XLVSQDRPIJTPJC-OKZBNKHCSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550607808 1268140646 /nfs/dbraw/zinc/14/06/46/1268140646.db2.gz XLVSQDRPIJTPJC-OKZBNKHCSA-N 2 2 351.491 0.999 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3C[NH2+]C[C@@H]3F)C2)c1 ZINC001550765672 1268166071 /nfs/dbraw/zinc/16/60/71/1268166071.db2.gz VNHGHKDZSIRUFC-IXDOHACOSA-N 2 2 350.438 0.805 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3C[NH2+]C[C@@H]3F)C2)c1 ZINC001550765672 1268166074 /nfs/dbraw/zinc/16/60/74/1268166074.db2.gz VNHGHKDZSIRUFC-IXDOHACOSA-N 2 2 350.438 0.805 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC001339142018 1268175062 /nfs/dbraw/zinc/17/50/62/1268175062.db2.gz QATKUZPDCPMXMT-QGZVFWFLSA-N 2 2 371.485 0.721 20 0 FCADLP Cn1nccc1[C@@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001551587570 1268279391 /nfs/dbraw/zinc/27/93/91/1268279391.db2.gz PMCIXXHGMVUXIO-CZUORRHYSA-N 2 2 350.467 0.220 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934870 1268312478 /nfs/dbraw/zinc/31/24/78/1268312478.db2.gz CSRZDMUIJPKLAC-KLHDSHLOSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)N(c2cc(N)nc[nH+]2)C1 ZINC001551934870 1268312491 /nfs/dbraw/zinc/31/24/91/1268312491.db2.gz CSRZDMUIJPKLAC-KLHDSHLOSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939652 1268316490 /nfs/dbraw/zinc/31/64/90/1268316490.db2.gz SDWXDIDHEAEUFF-RRFJBIMHSA-N 2 2 362.478 0.347 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551939652 1268316498 /nfs/dbraw/zinc/31/64/98/1268316498.db2.gz SDWXDIDHEAEUFF-RRFJBIMHSA-N 2 2 362.478 0.347 20 0 FCADLP CO[C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)nc[nH+]2)C1 ZINC001551942846 1268319001 /nfs/dbraw/zinc/31/90/01/1268319001.db2.gz YTCQIBSXJKNSCW-GJZGRUSLSA-N 2 2 374.489 0.645 20 0 FCADLP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001339790137 1268331765 /nfs/dbraw/zinc/33/17/65/1268331765.db2.gz RILKGNLVYLOCRN-GFCCVEGCSA-N 2 2 362.459 0.684 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001552008993 1268350452 /nfs/dbraw/zinc/35/04/52/1268350452.db2.gz CSZPPVUKLQPCHM-RCCFBDPRSA-N 2 2 367.538 0.517 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC001552015278 1268352084 /nfs/dbraw/zinc/35/20/84/1268352084.db2.gz ZWFMMAGCQRESSV-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC001552015278 1268352094 /nfs/dbraw/zinc/35/20/94/1268352094.db2.gz ZWFMMAGCQRESSV-GVDBMIGSSA-N 2 2 354.495 0.602 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552188244 1268406006 /nfs/dbraw/zinc/40/60/06/1268406006.db2.gz UWZPRFXLNGHYPV-RHSMWYFYSA-N 2 2 372.535 0.266 20 0 FCADLP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC001552190587 1268406359 /nfs/dbraw/zinc/40/63/59/1268406359.db2.gz DLQBTVBAMNPQBV-QAPCUYQASA-N 2 2 362.478 0.808 20 0 FCADLP [NH3+]CCc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001340153874 1268453250 /nfs/dbraw/zinc/45/32/50/1268453250.db2.gz DQFPMDTYRBCHPF-UHFFFAOYSA-N 2 2 358.486 0.958 20 0 FCADLP [NH3+]CCc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001340153874 1268453251 /nfs/dbraw/zinc/45/32/51/1268453251.db2.gz DQFPMDTYRBCHPF-UHFFFAOYSA-N 2 2 358.486 0.958 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001552372596 1268455771 /nfs/dbraw/zinc/45/57/71/1268455771.db2.gz YAKBZOWVQUESOU-YOEHRIQHSA-N 2 2 372.429 0.899 20 0 FCADLP Cc1c(C(=O)NC[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552431089 1268460874 /nfs/dbraw/zinc/46/08/74/1268460874.db2.gz OQULHFMONANTSE-PWNZVWSESA-N 2 2 350.467 0.348 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2cnnn2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC001552427751 1268461138 /nfs/dbraw/zinc/46/11/38/1268461138.db2.gz UCLFBPJPGJUJQE-ZIAGYGMSSA-N 2 2 350.467 0.384 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793435 1268547879 /nfs/dbraw/zinc/54/78/79/1268547879.db2.gz REXXTQSBJJFBNL-QZTJIDSGSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793435 1268547883 /nfs/dbraw/zinc/54/78/83/1268547883.db2.gz REXXTQSBJJFBNL-QZTJIDSGSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793435 1268547891 /nfs/dbraw/zinc/54/78/91/1268547891.db2.gz REXXTQSBJJFBNL-QZTJIDSGSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793435 1268547894 /nfs/dbraw/zinc/54/78/94/1268547894.db2.gz REXXTQSBJJFBNL-QZTJIDSGSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793434 1268548023 /nfs/dbraw/zinc/54/80/23/1268548023.db2.gz REXXTQSBJJFBNL-MSOLQXFVSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC001552793434 1268548028 /nfs/dbraw/zinc/54/80/28/1268548028.db2.gz REXXTQSBJJFBNL-MSOLQXFVSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793434 1268548035 /nfs/dbraw/zinc/54/80/35/1268548035.db2.gz REXXTQSBJJFBNL-MSOLQXFVSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)C1 ZINC001552793434 1268548040 /nfs/dbraw/zinc/54/80/40/1268548040.db2.gz REXXTQSBJJFBNL-MSOLQXFVSA-N 2 2 367.538 0.375 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)c1C ZINC001552799393 1268549182 /nfs/dbraw/zinc/54/91/82/1268549182.db2.gz OBDRVJMUMVQAGJ-HOTGVXAUSA-N 2 2 373.461 0.995 20 0 FCADLP C[C@H](CNC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[NH+]1CCOCC1 ZINC001553425997 1268649166 /nfs/dbraw/zinc/64/91/66/1268649166.db2.gz HMMLZXYNWCRUTQ-QAPCUYQASA-N 2 2 354.495 0.494 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)nc[nH+]1 ZINC001553455670 1268654675 /nfs/dbraw/zinc/65/46/75/1268654675.db2.gz BUWJEXHTFLPTKT-IYOUNJFTSA-N 2 2 359.478 0.928 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)[nH+]cn1 ZINC001553455670 1268654680 /nfs/dbraw/zinc/65/46/80/1268654680.db2.gz BUWJEXHTFLPTKT-IYOUNJFTSA-N 2 2 359.478 0.928 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]2[NH3+])c1 ZINC001553467554 1268656262 /nfs/dbraw/zinc/65/62/62/1268656262.db2.gz RGFLIMUSFSIHIG-KFWWJZLASA-N 2 2 355.446 0.530 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)([NH+]2CCOCC2)C1 ZINC001553482495 1268658246 /nfs/dbraw/zinc/65/82/46/1268658246.db2.gz XNGWMILOBKTOTN-VSVYTNTFSA-N 2 2 352.479 0.389 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)([NH+]2CCOCC2)C1 ZINC001553482491 1268658591 /nfs/dbraw/zinc/65/85/91/1268658591.db2.gz XNGWMILOBKTOTN-HRSCSKTISA-N 2 2 352.479 0.389 20 0 FCADLP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553548146 1268668392 /nfs/dbraw/zinc/66/83/92/1268668392.db2.gz IILXATFVDUBSBV-ZWKOTPCHSA-N 2 2 358.490 0.734 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@@H]1C(F)(F)F ZINC001340822461 1268670136 /nfs/dbraw/zinc/67/01/36/1268670136.db2.gz JBBHPCJGPOSOGK-CRWXNKLISA-N 2 2 365.396 0.462 20 0 FCADLP CCn1c(C2CC[NH+](CCO)CC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001340974177 1268730773 /nfs/dbraw/zinc/73/07/73/1268730773.db2.gz KVBYHKRDCCTMDX-UHFFFAOYSA-N 2 2 366.510 0.238 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1 ZINC001554035580 1268745187 /nfs/dbraw/zinc/74/51/87/1268745187.db2.gz HYNFWHULGBCHIJ-NVXWUHKLSA-N 2 2 367.413 0.804 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001558163725 1269041689 /nfs/dbraw/zinc/04/16/89/1269041689.db2.gz VVTRCYDJJDMJGX-RDJZCZTQSA-N 2 2 370.457 0.490 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001558163725 1269041698 /nfs/dbraw/zinc/04/16/98/1269041698.db2.gz VVTRCYDJJDMJGX-RDJZCZTQSA-N 2 2 370.457 0.490 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001558163725 1269041708 /nfs/dbraw/zinc/04/17/08/1269041708.db2.gz VVTRCYDJJDMJGX-RDJZCZTQSA-N 2 2 370.457 0.490 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001558163725 1269041716 /nfs/dbraw/zinc/04/17/16/1269041716.db2.gz VVTRCYDJJDMJGX-RDJZCZTQSA-N 2 2 370.457 0.490 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001341691760 1269152210 /nfs/dbraw/zinc/15/22/10/1269152210.db2.gz MFIUGWFISNPRGD-OALUTQOASA-N 2 2 353.507 0.711 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001559969637 1269183290 /nfs/dbraw/zinc/18/32/90/1269183290.db2.gz LRIMIBXBFIZMGK-JKSUJKDBSA-N 2 2 373.457 0.551 20 0 FCADLP O=C(CC[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001559969637 1269183292 /nfs/dbraw/zinc/18/32/92/1269183292.db2.gz LRIMIBXBFIZMGK-JKSUJKDBSA-N 2 2 373.457 0.551 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O)CC(C)(C)C ZINC001341813396 1269223098 /nfs/dbraw/zinc/22/30/98/1269223098.db2.gz FGZXZTFFLTYMPY-HUUCEWRRSA-N 2 2 365.478 0.008 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O)CC(C)(C)C ZINC001341813396 1269223103 /nfs/dbraw/zinc/22/31/03/1269223103.db2.gz FGZXZTFFLTYMPY-HUUCEWRRSA-N 2 2 365.478 0.008 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341959599 1269279624 /nfs/dbraw/zinc/27/96/24/1269279624.db2.gz UCWVWFMLVXUJJP-XYPHTWIQSA-N 2 2 372.473 0.192 20 0 FCADLP CN(C)C(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076864 1269407365 /nfs/dbraw/zinc/40/73/65/1269407365.db2.gz IGMBGRYIYYJAJD-CABCVRRESA-N 2 2 351.495 0.275 20 0 FCADLP CN(C)C(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076864 1269407368 /nfs/dbraw/zinc/40/73/68/1269407368.db2.gz IGMBGRYIYYJAJD-CABCVRRESA-N 2 2 351.495 0.275 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001566045673 1269576861 /nfs/dbraw/zinc/57/68/61/1269576861.db2.gz ILRDPTCAQKDZLZ-VNQPRFMTSA-N 2 2 358.442 0.964 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C1 ZINC001566045673 1269576864 /nfs/dbraw/zinc/57/68/64/1269576864.db2.gz ILRDPTCAQKDZLZ-VNQPRFMTSA-N 2 2 358.442 0.964 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053097 1269586370 /nfs/dbraw/zinc/58/63/70/1269586370.db2.gz SEPCBMJQJBWQNN-CVEARBPZSA-N 2 2 361.490 0.659 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053097 1269586375 /nfs/dbraw/zinc/58/63/75/1269586375.db2.gz SEPCBMJQJBWQNN-CVEARBPZSA-N 2 2 361.490 0.659 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574260547 1271132126 /nfs/dbraw/zinc/13/21/26/1271132126.db2.gz LVQMSHLFBHGEGU-UHFFFAOYSA-N 2 2 363.491 0.816 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574260547 1271132128 /nfs/dbraw/zinc/13/21/28/1271132128.db2.gz LVQMSHLFBHGEGU-UHFFFAOYSA-N 2 2 363.491 0.816 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001574653885 1271453701 /nfs/dbraw/zinc/45/37/01/1271453701.db2.gz PHHSREFBVAFZHY-CZUORRHYSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001574653885 1271453706 /nfs/dbraw/zinc/45/37/06/1271453706.db2.gz PHHSREFBVAFZHY-CZUORRHYSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574805439 1271546051 /nfs/dbraw/zinc/54/60/51/1271546051.db2.gz SMXLCSQXMDEWAZ-IUODEOHRSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574805439 1271546057 /nfs/dbraw/zinc/54/60/57/1271546057.db2.gz SMXLCSQXMDEWAZ-IUODEOHRSA-N 2 2 358.450 0.687 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873373 1271623955 /nfs/dbraw/zinc/62/39/55/1271623955.db2.gz NEKAKFJGEYCECU-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873373 1271623963 /nfs/dbraw/zinc/62/39/63/1271623963.db2.gz NEKAKFJGEYCECU-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873373 1271623972 /nfs/dbraw/zinc/62/39/72/1271623972.db2.gz NEKAKFJGEYCECU-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574873373 1271623976 /nfs/dbraw/zinc/62/39/76/1271623976.db2.gz NEKAKFJGEYCECU-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001575214755 1271793999 /nfs/dbraw/zinc/79/39/99/1271793999.db2.gz FTIRXWUXRMNRAA-KBPBESRZSA-N 2 2 358.458 0.792 20 0 FCADLP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575696053 1272316206 /nfs/dbraw/zinc/31/62/06/1272316206.db2.gz AVMTYFBSBOHYOV-HNNXBMFYSA-N 2 2 370.461 0.428 20 0 FCADLP C[C@@]1(NC(=O)C[NH+]2CCCC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575815347 1272472607 /nfs/dbraw/zinc/47/26/07/1272472607.db2.gz YMOYAISPCDTDIJ-QGZVFWFLSA-N 2 2 356.434 0.443 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575994588 1272664671 /nfs/dbraw/zinc/66/46/71/1272664671.db2.gz YHLKDXPOHDNCPJ-UONOGXRCSA-N 2 2 370.461 0.831 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576017851 1272717804 /nfs/dbraw/zinc/71/78/04/1272717804.db2.gz CPZXYWFYDBUUET-CMPLNLGQSA-N 2 2 372.458 0.973 20 0 FCADLP C[C@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576083638 1272856425 /nfs/dbraw/zinc/85/64/25/1272856425.db2.gz FDZBLOQCOWZOKO-GXTWGEPZSA-N 2 2 370.461 0.332 20 0 FCADLP C[C@H]([NH2+]Cc1cnn[nH]1)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001576103413 1272890153 /nfs/dbraw/zinc/89/01/53/1272890153.db2.gz BZXJRGQKFMSRNU-GOEBONIOSA-N 2 2 350.467 0.242 20 0 FCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576259376 1273047438 /nfs/dbraw/zinc/04/74/38/1273047438.db2.gz FZQZJHUFINSREP-BLLLJJGKSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576271374 1273071889 /nfs/dbraw/zinc/07/18/89/1273071889.db2.gz RLIVAWFEFGUDHZ-XJKSGUPXSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576271580 1273072103 /nfs/dbraw/zinc/07/21/03/1273072103.db2.gz SJJCEWLEQOZCPE-WCQYABFASA-N 2 2 372.458 0.761 20 0 FCADLP CCC1([NH2+]CCc2cn[nH]n2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001576306600 1273119148 /nfs/dbraw/zinc/11/91/48/1273119148.db2.gz XJPQZCLDZZFWLD-UHFFFAOYSA-N 2 2 364.494 0.430 20 0 FCADLP CCC1([NH2+]CCc2c[nH]nn2)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001576306600 1273119153 /nfs/dbraw/zinc/11/91/53/1273119153.db2.gz XJPQZCLDZZFWLD-UHFFFAOYSA-N 2 2 364.494 0.430 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576513044 1273392332 /nfs/dbraw/zinc/39/23/32/1273392332.db2.gz AKTPCJQCKAKRBM-OBJOEFQTSA-N 2 2 356.434 0.391 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576513045 1273392510 /nfs/dbraw/zinc/39/25/10/1273392510.db2.gz AKTPCJQCKAKRBM-SGMGOOAPSA-N 2 2 356.434 0.391 20 0 FCADLP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576822703 1273744562 /nfs/dbraw/zinc/74/45/62/1273744562.db2.gz JWFOIPULSGONJO-CQSZACIVSA-N 2 2 372.477 0.722 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576835997 1273768323 /nfs/dbraw/zinc/76/83/23/1273768323.db2.gz UUHQMPXKKGQNJN-ZDUSSCGKSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([NH3+])C1 ZINC001576862837 1273826373 /nfs/dbraw/zinc/82/63/73/1273826373.db2.gz WGYHFFLCQUUUCM-QLFBSQMISA-N 2 2 350.467 0.388 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([NH3+])C1 ZINC001576862837 1273826380 /nfs/dbraw/zinc/82/63/80/1273826380.db2.gz WGYHFFLCQUUUCM-QLFBSQMISA-N 2 2 350.467 0.388 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901751 1273907473 /nfs/dbraw/zinc/90/74/73/1273907473.db2.gz BDTZAEFXUJOWQI-DOTOQJQBSA-N 2 2 350.467 0.122 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901751 1273907478 /nfs/dbraw/zinc/90/74/78/1273907478.db2.gz BDTZAEFXUJOWQI-DOTOQJQBSA-N 2 2 350.467 0.122 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577553547 1274492274 /nfs/dbraw/zinc/49/22/74/1274492274.db2.gz BVADOQIJOSXYJI-CQSZACIVSA-N 2 2 372.477 0.888 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577553547 1274492283 /nfs/dbraw/zinc/49/22/83/1274492283.db2.gz BVADOQIJOSXYJI-CQSZACIVSA-N 2 2 372.477 0.888 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560395 1274507598 /nfs/dbraw/zinc/50/75/98/1274507598.db2.gz DJRUKMPKMMDSRP-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560395 1274507604 /nfs/dbraw/zinc/50/76/04/1274507604.db2.gz DJRUKMPKMMDSRP-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560395 1274507613 /nfs/dbraw/zinc/50/76/13/1274507613.db2.gz DJRUKMPKMMDSRP-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001577560395 1274507622 /nfs/dbraw/zinc/50/76/22/1274507622.db2.gz DJRUKMPKMMDSRP-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc3cn[nH]n3)C1)CC2 ZINC001577571548 1274535977 /nfs/dbraw/zinc/53/59/77/1274535977.db2.gz GORSLMYPQUBMPO-IIAWOOMASA-N 2 2 357.462 0.599 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc3c[nH]nn3)C1)CC2 ZINC001577571548 1274535982 /nfs/dbraw/zinc/53/59/82/1274535982.db2.gz GORSLMYPQUBMPO-IIAWOOMASA-N 2 2 357.462 0.599 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](CCc3cn[nH]n3)CC1)C2 ZINC001577572171 1274536051 /nfs/dbraw/zinc/53/60/51/1274536051.db2.gz PXYGPABTDXAAPU-CQSZACIVSA-N 2 2 357.462 0.695 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](CCc3c[nH]nn3)CC1)C2 ZINC001577572171 1274536055 /nfs/dbraw/zinc/53/60/55/1274536055.db2.gz PXYGPABTDXAAPU-CQSZACIVSA-N 2 2 357.462 0.695 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1cn[nH]n1)CC2 ZINC001577577752 1274545549 /nfs/dbraw/zinc/54/55/49/1274545549.db2.gz DXQNWCZPMFKUPF-INIZCTEOSA-N 2 2 373.461 0.497 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC2(CO1)CC[NH+](Cc1c[nH]nn1)CC2 ZINC001577577752 1274545554 /nfs/dbraw/zinc/54/55/54/1274545554.db2.gz DXQNWCZPMFKUPF-INIZCTEOSA-N 2 2 373.461 0.497 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)N3CC[NH2+]CC3=O)c2)CC1 ZINC001577782238 1274875357 /nfs/dbraw/zinc/87/53/57/1274875357.db2.gz XRGZWCLEROUOIP-HNNXBMFYSA-N 2 2 359.474 0.587 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001577880975 1275079214 /nfs/dbraw/zinc/07/92/14/1275079214.db2.gz AFVUBBCVHZCPIR-ZIAGYGMSSA-N 2 2 357.499 0.835 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001577880975 1275079218 /nfs/dbraw/zinc/07/92/18/1275079218.db2.gz AFVUBBCVHZCPIR-ZIAGYGMSSA-N 2 2 357.499 0.835 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001577880974 1275079538 /nfs/dbraw/zinc/07/95/38/1275079538.db2.gz AFVUBBCVHZCPIR-KGLIPLIRSA-N 2 2 357.499 0.835 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001577880974 1275079548 /nfs/dbraw/zinc/07/95/48/1275079548.db2.gz AFVUBBCVHZCPIR-KGLIPLIRSA-N 2 2 357.499 0.835 20 0 FCADLP CCN(CCNC(=O)Cc1c[nH+]cn1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578029174 1275303315 /nfs/dbraw/zinc/30/33/15/1275303315.db2.gz GPMCZHSWCDILLI-UHFFFAOYSA-N 2 2 369.433 0.489 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)Cc1c[nH+]cn1C ZINC001578109774 1275412734 /nfs/dbraw/zinc/41/27/34/1275412734.db2.gz HUISCMZOPBPMJW-UHFFFAOYSA-N 2 2 369.433 0.229 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578524253 1275958288 /nfs/dbraw/zinc/95/82/88/1275958288.db2.gz CANAKPXTURPFKE-RCCFBDPRSA-N 3 2 352.523 0.770 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578524253 1275958296 /nfs/dbraw/zinc/95/82/96/1275958296.db2.gz CANAKPXTURPFKE-RCCFBDPRSA-N 3 2 352.523 0.770 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798370 1276289105 /nfs/dbraw/zinc/28/91/05/1276289105.db2.gz YLZZOYSLWMRUHL-GDBMZVCRSA-N 2 2 359.426 0.602 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798370 1276289107 /nfs/dbraw/zinc/28/91/07/1276289107.db2.gz YLZZOYSLWMRUHL-GDBMZVCRSA-N 2 2 359.426 0.602 20 0 FCADLP COC(=O)Nc1ccc(CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC001578827348 1276334299 /nfs/dbraw/zinc/33/42/99/1276334299.db2.gz JCGMYEWXTLQMLK-UHFFFAOYSA-N 2 2 350.419 0.185 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001578886987 1276420910 /nfs/dbraw/zinc/42/09/10/1276420910.db2.gz OLVXLNGQPMEVNU-UHFFFAOYSA-N 2 2 366.429 0.842 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC001578961363 1276504311 /nfs/dbraw/zinc/50/43/11/1276504311.db2.gz ISTCKCAEAFULKE-SFYZZRBRSA-N 2 2 353.507 0.946 20 0 FCADLP C[NH+](C)C1(C(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001578966252 1276511521 /nfs/dbraw/zinc/51/15/21/1276511521.db2.gz MWJDVXIOOPDKCE-ZDUSSCGKSA-N 2 2 370.461 0.831 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[NH+]1CCCC1 ZINC001579098703 1276750537 /nfs/dbraw/zinc/75/05/37/1276750537.db2.gz PFNGTPFODFQDLB-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C[NH+]1CCCC1 ZINC001579098703 1276750544 /nfs/dbraw/zinc/75/05/44/1276750544.db2.gz PFNGTPFODFQDLB-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001579116786 1276788627 /nfs/dbraw/zinc/78/86/27/1276788627.db2.gz GYGGPHKNHDCBOH-HNNXBMFYSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001579116786 1276788634 /nfs/dbraw/zinc/78/86/34/1276788634.db2.gz GYGGPHKNHDCBOH-HNNXBMFYSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001579126818 1276804090 /nfs/dbraw/zinc/80/40/90/1276804090.db2.gz DMODVCXHERVLBG-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)CCn1cc[nH+]c1 ZINC001579151128 1276886265 /nfs/dbraw/zinc/88/62/65/1276886265.db2.gz RDFPVDRSCZHALP-UHFFFAOYSA-N 2 2 355.406 0.443 20 0 FCADLP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001579215135 1277011073 /nfs/dbraw/zinc/01/10/73/1277011073.db2.gz ZBRLSIJFZSCYDT-GFCCVEGCSA-N 2 2 367.417 0.013 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001579281795 1277097874 /nfs/dbraw/zinc/09/78/74/1277097874.db2.gz NAYFSPGVLSACBX-UHFFFAOYSA-N 2 2 370.461 0.785 20 0 FCADLP COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([NH3+])CC1 ZINC001579319374 1277135751 /nfs/dbraw/zinc/13/57/51/1277135751.db2.gz ORXRHYHDWAMNMT-CQSZACIVSA-N 2 2 371.445 0.609 20 0 FCADLP COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579318928 1277135765 /nfs/dbraw/zinc/13/57/65/1277135765.db2.gz GAEJWZRGHWEMLN-KGLIPLIRSA-N 2 2 371.445 0.609 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579340797 1277186979 /nfs/dbraw/zinc/18/69/79/1277186979.db2.gz BXQUAPUFLRKBLJ-INIZCTEOSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579340797 1277186981 /nfs/dbraw/zinc/18/69/81/1277186981.db2.gz BXQUAPUFLRKBLJ-INIZCTEOSA-N 2 2 369.473 0.853 20 0 FCADLP C[NH+]1CCC(CC(=O)NC2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC001579345861 1277196740 /nfs/dbraw/zinc/19/67/40/1277196740.db2.gz XTBCVAZBUCDIAD-UHFFFAOYSA-N 2 2 369.473 0.899 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350419 1277205811 /nfs/dbraw/zinc/20/58/11/1277205811.db2.gz DPEJZYCNGHFJPB-JKSUJKDBSA-N 2 2 370.461 0.427 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579350419 1277205814 /nfs/dbraw/zinc/20/58/14/1277205814.db2.gz DPEJZYCNGHFJPB-JKSUJKDBSA-N 2 2 370.461 0.427 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001579353156 1277212403 /nfs/dbraw/zinc/21/24/03/1277212403.db2.gz FDTZDNUJQSEFBS-WFASDCNBSA-N 2 2 356.434 0.393 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001579353156 1277212405 /nfs/dbraw/zinc/21/24/05/1277212405.db2.gz FDTZDNUJQSEFBS-WFASDCNBSA-N 2 2 356.434 0.393 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356481 1277219759 /nfs/dbraw/zinc/21/97/59/1277219759.db2.gz KUBSJSWEYLMPLN-RHSMWYFYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356481 1277219769 /nfs/dbraw/zinc/21/97/69/1277219769.db2.gz KUBSJSWEYLMPLN-RHSMWYFYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356483 1277220341 /nfs/dbraw/zinc/22/03/41/1277220341.db2.gz KUBSJSWEYLMPLN-YOEHRIQHSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356483 1277220348 /nfs/dbraw/zinc/22/03/48/1277220348.db2.gz KUBSJSWEYLMPLN-YOEHRIQHSA-N 2 2 356.434 0.441 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001713169138 1287269050 /nfs/dbraw/zinc/26/90/50/1287269050.db2.gz JHVRFIPGVFWTJY-KLHDSHLOSA-N 2 2 359.474 0.677 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356067 1277220643 /nfs/dbraw/zinc/22/06/43/1277220643.db2.gz IZXRWKKBAJPZIA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356067 1277220648 /nfs/dbraw/zinc/22/06/48/1277220648.db2.gz IZXRWKKBAJPZIA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356067 1277220651 /nfs/dbraw/zinc/22/06/51/1277220651.db2.gz IZXRWKKBAJPZIA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356067 1277220653 /nfs/dbraw/zinc/22/06/53/1277220653.db2.gz IZXRWKKBAJPZIA-GOEBONIOSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356767 1277222606 /nfs/dbraw/zinc/22/26/06/1277222606.db2.gz MVBNSBYVXAMWMP-LSDHHAIUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579356767 1277222607 /nfs/dbraw/zinc/22/26/07/1277222607.db2.gz MVBNSBYVXAMWMP-LSDHHAIUSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579358665 1277227154 /nfs/dbraw/zinc/22/71/54/1277227154.db2.gz HOFVBMRYPGWWQP-AWEZNQCLSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001579358665 1277227155 /nfs/dbraw/zinc/22/71/55/1277227155.db2.gz HOFVBMRYPGWWQP-AWEZNQCLSA-N 2 2 356.434 0.229 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579363168 1277241604 /nfs/dbraw/zinc/24/16/04/1277241604.db2.gz WNCJNUCZBQJSIW-OAGGEKHMSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579363168 1277241608 /nfs/dbraw/zinc/24/16/08/1277241608.db2.gz WNCJNUCZBQJSIW-OAGGEKHMSA-N 2 2 370.461 0.617 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001579365646 1277246427 /nfs/dbraw/zinc/24/64/27/1277246427.db2.gz JJNOHCXPMAZMKC-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001579365646 1277246430 /nfs/dbraw/zinc/24/64/30/1277246430.db2.gz JJNOHCXPMAZMKC-CJNGLKHVSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579366317 1277247209 /nfs/dbraw/zinc/24/72/09/1277247209.db2.gz RUOGEVYEDRHYPJ-OAHLLOKOSA-N 2 2 356.434 0.395 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579366317 1277247211 /nfs/dbraw/zinc/24/72/11/1277247211.db2.gz RUOGEVYEDRHYPJ-OAHLLOKOSA-N 2 2 356.434 0.395 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366806 1277247325 /nfs/dbraw/zinc/24/73/25/1277247325.db2.gz HLOKMQOVBFJHFK-BBRMVZONSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366806 1277247326 /nfs/dbraw/zinc/24/73/26/1277247326.db2.gz HLOKMQOVBFJHFK-BBRMVZONSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366567 1277247650 /nfs/dbraw/zinc/24/76/50/1277247650.db2.gz YYTISFQTCZMSDY-HEHGZKQESA-N 2 2 368.445 0.536 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579366567 1277247653 /nfs/dbraw/zinc/24/76/53/1277247653.db2.gz YYTISFQTCZMSDY-HEHGZKQESA-N 2 2 368.445 0.536 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367388 1277250221 /nfs/dbraw/zinc/25/02/21/1277250221.db2.gz SXEFOOQXZCGNSI-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367388 1277250226 /nfs/dbraw/zinc/25/02/26/1277250226.db2.gz SXEFOOQXZCGNSI-BBRMVZONSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368818 1277250359 /nfs/dbraw/zinc/25/03/59/1277250359.db2.gz LCBNCKQIJWIHAE-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579368818 1277250360 /nfs/dbraw/zinc/25/03/60/1277250360.db2.gz LCBNCKQIJWIHAE-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367423 1277250606 /nfs/dbraw/zinc/25/06/06/1277250606.db2.gz VHOJUHGYIAZXTF-ZUEPYMLJSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579367423 1277250607 /nfs/dbraw/zinc/25/06/07/1277250607.db2.gz VHOJUHGYIAZXTF-ZUEPYMLJSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369133 1277251569 /nfs/dbraw/zinc/25/15/69/1277251569.db2.gz SXEFOOQXZCGNSI-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579369133 1277251573 /nfs/dbraw/zinc/25/15/73/1277251573.db2.gz SXEFOOQXZCGNSI-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579369352 1277251876 /nfs/dbraw/zinc/25/18/76/1277251876.db2.gz ZFWWFWLICMWOCE-INIZCTEOSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579369352 1277251877 /nfs/dbraw/zinc/25/18/77/1277251877.db2.gz ZFWWFWLICMWOCE-INIZCTEOSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001579372272 1277255698 /nfs/dbraw/zinc/25/56/98/1277255698.db2.gz MSCDTQGOESQLKJ-CABCVRRESA-N 2 2 372.477 0.721 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C(C)(C)C ZINC001579372272 1277255703 /nfs/dbraw/zinc/25/57/03/1277255703.db2.gz MSCDTQGOESQLKJ-CABCVRRESA-N 2 2 372.477 0.721 20 0 FCADLP COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC001580027596 1277994236 /nfs/dbraw/zinc/99/42/36/1277994236.db2.gz FCDWGCYWMAZBDH-LBPRGKRZSA-N 2 2 370.417 0.366 20 0 FCADLP COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1-c1nn[nH]n1 ZINC001580028279 1277996415 /nfs/dbraw/zinc/99/64/15/1277996415.db2.gz JZZDUERWJMAHPV-NSHDSACASA-N 2 2 370.417 0.435 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580941891 1279150397 /nfs/dbraw/zinc/15/03/97/1279150397.db2.gz UOJGZYYGLNTPLI-GFCCVEGCSA-N 2 2 369.433 0.716 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580987794 1279187311 /nfs/dbraw/zinc/18/73/11/1279187311.db2.gz DTBXROOJLWBBJO-STQMWFEESA-N 2 2 369.433 0.502 20 0 FCADLP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989117 1279189910 /nfs/dbraw/zinc/18/99/10/1279189910.db2.gz MPRSXVVQQNASHZ-QWRGUYRKSA-N 2 2 355.406 0.263 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580995092 1279205833 /nfs/dbraw/zinc/20/58/33/1279205833.db2.gz XDEFMQUVLUHWCL-LBPRGKRZSA-N 2 2 369.433 0.456 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580996065 1279207844 /nfs/dbraw/zinc/20/78/44/1279207844.db2.gz VLNAAGXSQBULKW-LLVKDONJSA-N 2 2 355.406 0.114 20 0 FCADLP Cc1cc(N[C@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002685 1279219076 /nfs/dbraw/zinc/21/90/76/1279219076.db2.gz VFHCOYJQCZFNTF-AAEUAGOBSA-N 2 2 367.417 0.359 20 0 FCADLP Cc1cc(NC[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011741 1279238446 /nfs/dbraw/zinc/23/84/46/1279238446.db2.gz NYOHFIZJIQBHBW-GFCCVEGCSA-N 2 2 355.406 0.148 20 0 FCADLP Cc1cc(NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581021210 1279252074 /nfs/dbraw/zinc/25/20/74/1279252074.db2.gz JSTNIZCJZLODCP-GFCCVEGCSA-N 2 2 367.417 0.361 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581025855 1279258002 /nfs/dbraw/zinc/25/80/02/1279258002.db2.gz HDGLJEHNBPIFQW-SNVBAGLBSA-N 2 2 369.433 0.573 20 0 FCADLP Cc1cc(NCCCNC(=O)CCc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027311 1279260862 /nfs/dbraw/zinc/26/08/62/1279260862.db2.gz PKWFUODACYGWNZ-UHFFFAOYSA-N 2 2 369.433 0.277 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001715522131 1287353886 /nfs/dbraw/zinc/35/38/86/1287353886.db2.gz VSJGPBYQFRFWQN-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001715522131 1287353888 /nfs/dbraw/zinc/35/38/88/1287353888.db2.gz VSJGPBYQFRFWQN-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC001715522131 1287353889 /nfs/dbraw/zinc/35/38/89/1287353889.db2.gz VSJGPBYQFRFWQN-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC001715522131 1287353890 /nfs/dbraw/zinc/35/38/90/1287353890.db2.gz VSJGPBYQFRFWQN-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581338326 1279717430 /nfs/dbraw/zinc/71/74/30/1279717430.db2.gz HYYWLZFFJXBSIU-LLVKDONJSA-N 2 2 372.408 0.805 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581338141 1279717660 /nfs/dbraw/zinc/71/76/60/1279717660.db2.gz DOMRWKMYLIMJDQ-IYBDPMFKSA-N 2 2 366.429 0.809 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001581338237 1279717690 /nfs/dbraw/zinc/71/76/90/1279717690.db2.gz FNWZLQIRURSOKC-OCCSQVGLSA-N 2 2 367.417 0.550 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339373 1279719561 /nfs/dbraw/zinc/71/95/61/1279719561.db2.gz DSYSSTBYVDYNDD-NWDGAFQWSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001581338968 1279720184 /nfs/dbraw/zinc/72/01/84/1279720184.db2.gz XJZIQTQLURSQQB-UHFFFAOYSA-N 2 2 360.447 0.681 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001581338968 1279720195 /nfs/dbraw/zinc/72/01/95/1279720195.db2.gz XJZIQTQLURSQQB-UHFFFAOYSA-N 2 2 360.447 0.681 20 0 FCADLP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001603458606 1287378717 /nfs/dbraw/zinc/37/87/17/1287378717.db2.gz PGUCSLIFLBTDPW-RYUDHWBXSA-N 2 2 369.433 0.355 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563001 1280139935 /nfs/dbraw/zinc/13/99/35/1280139935.db2.gz FHOUCCNJRIUIST-MNOVXSKESA-N 2 2 355.406 0.194 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581563677 1280141695 /nfs/dbraw/zinc/14/16/95/1280141695.db2.gz PPJMVMRFGSMBEV-LLVKDONJSA-N 2 2 372.408 0.805 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001581564542 1280143576 /nfs/dbraw/zinc/14/35/76/1280143576.db2.gz ZXTKMIHSRRDLGY-OAHLLOKOSA-N 2 2 369.433 0.441 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001581815501 1280560740 /nfs/dbraw/zinc/56/07/40/1280560740.db2.gz IQEWCJUSJCITHD-UHFFFAOYSA-N 2 2 367.417 0.111 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581817407 1280562735 /nfs/dbraw/zinc/56/27/35/1280562735.db2.gz AFLLCZBOWLOHGY-UHFFFAOYSA-N 2 2 367.417 0.111 20 0 FCADLP O=C(CCCn1cc[nH+]c1)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582051062 1280976640 /nfs/dbraw/zinc/97/66/40/1280976640.db2.gz NPBSKHINAZNDRK-UHFFFAOYSA-N 2 2 367.417 0.421 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582059002 1280986080 /nfs/dbraw/zinc/98/60/80/1280986080.db2.gz PQIYXOGMVLDIED-WKILWMFISA-N 2 2 366.429 0.959 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001582097457 1281052545 /nfs/dbraw/zinc/05/25/45/1281052545.db2.gz GGBJFOYXXVZAER-OKILXGFUSA-N 2 2 368.445 0.252 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099542 1281055411 /nfs/dbraw/zinc/05/54/11/1281055411.db2.gz UQNSUPFKVNFLJP-UKRRQHHQSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582099322 1281055739 /nfs/dbraw/zinc/05/57/39/1281055739.db2.gz OUKOCUTXTMPPHS-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582099322 1281055743 /nfs/dbraw/zinc/05/57/43/1281055743.db2.gz OUKOCUTXTMPPHS-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582169224 1281135936 /nfs/dbraw/zinc/13/59/36/1281135936.db2.gz IZAYIVOFBGJUNH-CYBMUJFWSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582169527 1281136745 /nfs/dbraw/zinc/13/67/45/1281136745.db2.gz WQYKDPBOTITTHZ-SNVBAGLBSA-N 2 2 358.431 0.585 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001582182752 1281159290 /nfs/dbraw/zinc/15/92/90/1281159290.db2.gz KFENRRGUKHDQCC-UHFFFAOYSA-N 2 2 366.429 0.961 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001582183235 1281160304 /nfs/dbraw/zinc/16/03/04/1281160304.db2.gz YAOQFQMCORWDQK-AWEZNQCLSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582183199 1281161498 /nfs/dbraw/zinc/16/14/98/1281161498.db2.gz WFBCDBOVCVXESU-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582183759 1281162014 /nfs/dbraw/zinc/16/20/14/1281162014.db2.gz GVTUVZURODDLMJ-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582183759 1281162015 /nfs/dbraw/zinc/16/20/15/1281162015.db2.gz GVTUVZURODDLMJ-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582183746 1281162414 /nfs/dbraw/zinc/16/24/14/1281162414.db2.gz GAMPBAYYRJNSIT-BETUJISGSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582183850 1281163596 /nfs/dbraw/zinc/16/35/96/1281163596.db2.gz LGKGZJZXNPWKFS-TXEJJXNPSA-N 2 2 370.392 0.708 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582183977 1281163777 /nfs/dbraw/zinc/16/37/77/1281163777.db2.gz RSKWCDHJZTUVJB-UPHRSURJSA-N 2 2 352.402 0.595 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582196368 1281176625 /nfs/dbraw/zinc/17/66/25/1281176625.db2.gz HSASFEZSZUGUQF-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582196896 1281178443 /nfs/dbraw/zinc/17/84/43/1281178443.db2.gz XGDVKBXHXVSCMS-HOTGVXAUSA-N 2 2 364.413 0.549 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582196896 1281178444 /nfs/dbraw/zinc/17/84/44/1281178444.db2.gz XGDVKBXHXVSCMS-HOTGVXAUSA-N 2 2 364.413 0.549 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197094 1281180142 /nfs/dbraw/zinc/18/01/42/1281180142.db2.gz DOXHTABYOZCMFU-GFCCVEGCSA-N 2 2 372.458 0.763 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197094 1281180146 /nfs/dbraw/zinc/18/01/46/1281180146.db2.gz DOXHTABYOZCMFU-GFCCVEGCSA-N 2 2 372.458 0.763 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197370 1281182270 /nfs/dbraw/zinc/18/22/70/1281182270.db2.gz MLPKTKSFQROTQH-AWEZNQCLSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197370 1281182273 /nfs/dbraw/zinc/18/22/73/1281182273.db2.gz MLPKTKSFQROTQH-AWEZNQCLSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001582198022 1281184182 /nfs/dbraw/zinc/18/41/82/1281184182.db2.gz JSILRFLNCDUYRL-HDJSIYSDSA-N 2 2 370.392 0.639 20 0 FCADLP Cc1cc(C)n(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)n1 ZINC001583984515 1282127812 /nfs/dbraw/zinc/12/78/12/1282127812.db2.gz FYPARNIRUKFWCY-UHFFFAOYSA-N 2 2 361.490 0.535 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001638122233 1282661463 /nfs/dbraw/zinc/66/14/63/1282661463.db2.gz MBJBNXZNSHSAJV-HOTGVXAUSA-N 2 2 365.478 0.056 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001638122233 1282661476 /nfs/dbraw/zinc/66/14/76/1282661476.db2.gz MBJBNXZNSHSAJV-HOTGVXAUSA-N 2 2 365.478 0.056 20 0 FCADLP C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001589963509 1283149399 /nfs/dbraw/zinc/14/93/99/1283149399.db2.gz XSAKEORAWIWGNY-CZUORRHYSA-N 2 2 372.477 0.419 20 0 FCADLP C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001589963509 1283149403 /nfs/dbraw/zinc/14/94/03/1283149403.db2.gz XSAKEORAWIWGNY-CZUORRHYSA-N 2 2 372.477 0.419 20 0 FCADLP C[C@H](O)[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC001589994599 1283162146 /nfs/dbraw/zinc/16/21/46/1283162146.db2.gz GVNXIMVPFHEJRB-BLLLJJGKSA-N 2 2 369.429 0.279 20 0 FCADLP CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001590068534 1283198415 /nfs/dbraw/zinc/19/84/15/1283198415.db2.gz YVRDASMKBNJBHP-UHFFFAOYSA-N 2 2 370.461 0.690 20 0 FCADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2-c2nn[nH]n2)C1(C)C ZINC001591010238 1284069493 /nfs/dbraw/zinc/06/94/93/1284069493.db2.gz UJBPJMMOBAAGNH-UHOFOFEASA-N 2 2 360.462 0.925 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175720 1284264636 /nfs/dbraw/zinc/26/46/36/1284264636.db2.gz SOWYHHVQTGIYKM-CABCVRRESA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175720 1284264648 /nfs/dbraw/zinc/26/46/48/1284264648.db2.gz SOWYHHVQTGIYKM-CABCVRRESA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175720 1284264661 /nfs/dbraw/zinc/26/46/61/1284264661.db2.gz SOWYHHVQTGIYKM-CABCVRRESA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175720 1284264666 /nfs/dbraw/zinc/26/46/66/1284264666.db2.gz SOWYHHVQTGIYKM-CABCVRRESA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNc1nc2c(cc1-c1nn[nH]n1)COCC2 ZINC001604686976 1287732950 /nfs/dbraw/zinc/73/29/50/1287732950.db2.gz VVCTVABFMSIFPZ-UHFFFAOYSA-N 2 2 360.466 0.630 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc2c(cc1-c1nn[nH]n1)COCC2 ZINC001604686976 1287732957 /nfs/dbraw/zinc/73/29/57/1287732957.db2.gz VVCTVABFMSIFPZ-UHFFFAOYSA-N 2 2 360.466 0.630 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001604687045 1287733879 /nfs/dbraw/zinc/73/38/79/1287733879.db2.gz WWYMYJMRNCEDON-MDZDMXLPSA-N 2 2 357.462 0.880 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001604687045 1287733888 /nfs/dbraw/zinc/73/38/88/1287733888.db2.gz WWYMYJMRNCEDON-MDZDMXLPSA-N 2 2 357.462 0.880 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001604697545 1287736636 /nfs/dbraw/zinc/73/66/36/1287736636.db2.gz UFZFJAQJTHAJFK-HZPDHXFCSA-N 2 2 357.462 0.886 20 0 FCADLP CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001604697545 1287736644 /nfs/dbraw/zinc/73/66/44/1287736644.db2.gz UFZFJAQJTHAJFK-HZPDHXFCSA-N 2 2 357.462 0.886 20 0 FCADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cncc(-c3nn[nH]n3)c2)CC1 ZINC001591659093 1284787609 /nfs/dbraw/zinc/78/76/09/1284787609.db2.gz MXLAYUBISJNESS-UHFFFAOYSA-N 2 2 352.402 0.988 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001591752925 1284879575 /nfs/dbraw/zinc/87/95/75/1284879575.db2.gz BGVAHPDARAQMJE-ZIAGYGMSSA-N 2 2 370.461 0.546 20 0 FCADLP Cc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1-c1nn[nH]n1 ZINC001591966664 1285032664 /nfs/dbraw/zinc/03/26/64/1285032664.db2.gz BCXMBURXONLHCE-KRWDZBQOSA-N 2 2 371.489 0.671 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001592301408 1285221889 /nfs/dbraw/zinc/22/18/89/1285221889.db2.gz BFFZSEDTGDEWIJ-UHFFFAOYSA-N 2 2 355.406 0.409 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)c2ccc3c(-c4nn[nH]n4)c[nH]c3c2)CC1 ZINC001592741535 1285659166 /nfs/dbraw/zinc/65/91/66/1285659166.db2.gz OECYTWCVUOGFLN-UHFFFAOYSA-N 2 2 354.418 0.501 20 0 FCADLP O=C(C[NH+]1CCCC1)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001592863939 1285768345 /nfs/dbraw/zinc/76/83/45/1285768345.db2.gz HJOAJNKDIDROGA-UHFFFAOYSA-N 2 2 356.434 0.443 20 0 FCADLP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001593076185 1285972296 /nfs/dbraw/zinc/97/22/96/1285972296.db2.gz MGUXVADTVANINH-GFCCVEGCSA-N 2 2 367.417 0.061 20 0 FCADLP O[C@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001593538363 1286197756 /nfs/dbraw/zinc/19/77/56/1286197756.db2.gz IBDPLIYEGIMEPK-SFHVURJKSA-N 2 2 371.489 0.487 20 0 FCADLP O[C@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001593538363 1286197760 /nfs/dbraw/zinc/19/77/60/1286197760.db2.gz IBDPLIYEGIMEPK-SFHVURJKSA-N 2 2 371.489 0.487 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001707227028 1287075629 /nfs/dbraw/zinc/07/56/29/1287075629.db2.gz HJXLBSJOROZYHL-OAGGEKHMSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001707227028 1287075636 /nfs/dbraw/zinc/07/56/36/1287075636.db2.gz HJXLBSJOROZYHL-OAGGEKHMSA-N 2 2 361.490 0.658 20 0 FCADLP Cc1cc(-c2nn[nH]n2)cnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001609389757 1289134732 /nfs/dbraw/zinc/13/47/32/1289134732.db2.gz VTQSZERZCHJQDG-UHFFFAOYSA-N 2 2 372.477 0.668 20 0 FCADLP Cc1cc(-c2nn[nH]n2)cnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001609389757 1289134734 /nfs/dbraw/zinc/13/47/34/1289134734.db2.gz VTQSZERZCHJQDG-UHFFFAOYSA-N 2 2 372.477 0.668 20 0 FCADLP Cc1cc(NC2(CNC(=O)Cc3c[nH+]cn3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605720042 1288060566 /nfs/dbraw/zinc/06/05/66/1288060566.db2.gz BCXYZJYSQMGSJG-UHFFFAOYSA-N 2 2 367.417 0.029 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001606097153 1288162632 /nfs/dbraw/zinc/16/26/32/1288162632.db2.gz ILZXNKIATAQXCN-UHFFFAOYSA-N 2 2 367.417 0.506 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001606437718 1288318617 /nfs/dbraw/zinc/31/86/17/1288318617.db2.gz NUUMKNDKTRSJNS-NSWWBONSSA-N 2 2 358.446 0.810 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001606437718 1288318626 /nfs/dbraw/zinc/31/86/26/1288318626.db2.gz NUUMKNDKTRSJNS-NSWWBONSSA-N 2 2 358.446 0.810 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[N@H+](C)C1CCC1 ZINC001721710575 1288371647 /nfs/dbraw/zinc/37/16/47/1288371647.db2.gz IGMSYGKFMXWCFP-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C[N@@H+](C)C1CCC1 ZINC001721710575 1288371651 /nfs/dbraw/zinc/37/16/51/1288371651.db2.gz IGMSYGKFMXWCFP-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCc3cccs3)C2)CC[N@@H+]1C ZINC001732154025 1288578036 /nfs/dbraw/zinc/57/80/36/1288578036.db2.gz JOMKJGMBUXJEJE-IIAWOOMASA-N 2 2 364.515 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCc3cccs3)C2)CC[N@H+]1C ZINC001732154025 1288578040 /nfs/dbraw/zinc/57/80/40/1288578040.db2.gz JOMKJGMBUXJEJE-IIAWOOMASA-N 2 2 364.515 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCc3cccs3)C2)CC[NH+]1C ZINC001732154025 1288578047 /nfs/dbraw/zinc/57/80/47/1288578047.db2.gz JOMKJGMBUXJEJE-IIAWOOMASA-N 2 2 364.515 0.895 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCc3cccs3)C2)CC[NH+]1C ZINC001732154025 1288578052 /nfs/dbraw/zinc/57/80/52/1288578052.db2.gz JOMKJGMBUXJEJE-IIAWOOMASA-N 2 2 364.515 0.895 20 0 FCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001609606134 1289261439 /nfs/dbraw/zinc/26/14/39/1289261439.db2.gz WJIOZLDQSUMDAC-HNNXBMFYSA-N 2 2 357.418 0.873 20 0 FCADLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1CCC[NH2+][C@H]1CCNC1=O ZINC001691899382 1289336159 /nfs/dbraw/zinc/33/61/59/1289336159.db2.gz VWLOEMMYXPWOJM-HYVNUMGLSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1)OC ZINC001691978328 1289355863 /nfs/dbraw/zinc/35/58/63/1289355863.db2.gz BHICKLMOHXZENC-YESZJQIVSA-N 2 2 360.462 0.695 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001692031849 1289372242 /nfs/dbraw/zinc/37/22/42/1289372242.db2.gz SSPHZXXEMPXAAD-NORZTCDRSA-N 2 2 359.430 0.503 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001692082811 1289387667 /nfs/dbraw/zinc/38/76/67/1289387667.db2.gz IQAZOESEIGGDOE-CABCVRRESA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)CC[C@@H]2C1 ZINC001692082811 1289387671 /nfs/dbraw/zinc/38/76/71/1289387671.db2.gz IQAZOESEIGGDOE-CABCVRRESA-N 2 2 361.490 0.956 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001698736035 1289534754 /nfs/dbraw/zinc/53/47/54/1289534754.db2.gz PQSOTRFIFKEZRG-ARFHVFGLSA-N 2 2 362.474 0.835 20 0 FCADLP COC[C@@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001698736035 1289534758 /nfs/dbraw/zinc/53/47/58/1289534758.db2.gz PQSOTRFIFKEZRG-ARFHVFGLSA-N 2 2 362.474 0.835 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001698736035 1289534763 /nfs/dbraw/zinc/53/47/63/1289534763.db2.gz PQSOTRFIFKEZRG-ARFHVFGLSA-N 2 2 362.474 0.835 20 0 FCADLP COC[C@@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001698736035 1289534766 /nfs/dbraw/zinc/53/47/66/1289534766.db2.gz PQSOTRFIFKEZRG-ARFHVFGLSA-N 2 2 362.474 0.835 20 0 FCADLP COc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)n1 ZINC001699422904 1289553851 /nfs/dbraw/zinc/55/38/51/1289553851.db2.gz QUGSOVZIGBTOLY-NILFDRSVSA-N 2 2 358.446 0.925 20 0 FCADLP CN(CCC[N@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700192627 1289585794 /nfs/dbraw/zinc/58/57/94/1289585794.db2.gz YVHAJKVVWWYLFR-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCC[N@@H+](C)[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700192627 1289585803 /nfs/dbraw/zinc/58/58/03/1289585803.db2.gz YVHAJKVVWWYLFR-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)CC1CC[NH+](C)CC1 ZINC001737780039 1289586345 /nfs/dbraw/zinc/58/63/45/1289586345.db2.gz RDFQCRUUFOVYNT-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O)[NH+](C)C ZINC001702367295 1290142837 /nfs/dbraw/zinc/14/28/37/1290142837.db2.gz QNQOMMHCJSZPBA-OAGGEKHMSA-N 2 2 359.430 0.205 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC001627473678 1290466518 /nfs/dbraw/zinc/46/65/18/1290466518.db2.gz AJUXQRBTMPXQRP-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC001627473678 1290466521 /nfs/dbraw/zinc/46/65/21/1290466521.db2.gz AJUXQRBTMPXQRP-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001627473678 1290466522 /nfs/dbraw/zinc/46/65/22/1290466522.db2.gz AJUXQRBTMPXQRP-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001627473678 1290466525 /nfs/dbraw/zinc/46/65/25/1290466525.db2.gz AJUXQRBTMPXQRP-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCN1CCCC1=O)C1CC1 ZINC001754452212 1290629919 /nfs/dbraw/zinc/62/99/19/1290629919.db2.gz YTBBAUWBJKJOEI-OAGGEKHMSA-N 2 2 359.474 0.630 20 0 FCADLP COC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693131 1291041285 /nfs/dbraw/zinc/04/12/85/1291041285.db2.gz NGGCFOYZELLIKA-VQIMIIECSA-N 2 2 362.474 0.450 20 0 FCADLP COC[C@]1(CO)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693131 1291041295 /nfs/dbraw/zinc/04/12/95/1291041295.db2.gz NGGCFOYZELLIKA-VQIMIIECSA-N 2 2 362.474 0.450 20 0 FCADLP COc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(C)(=O)=O ZINC001650815253 1291180025 /nfs/dbraw/zinc/18/00/25/1291180025.db2.gz YCTKHJQFJRIFSE-UHFFFAOYSA-N 2 2 371.503 0.664 20 0 FCADLP COc1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001667893174 1291948725 /nfs/dbraw/zinc/94/87/25/1291948725.db2.gz CQGRVKWVHZWQAQ-RRFJBIMHSA-N 2 2 359.430 0.194 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]CCCO ZINC001689065393 1294588907 /nfs/dbraw/zinc/58/89/07/1294588907.db2.gz KWCHJBGGHSHKMC-NVXWUHKLSA-N 2 2 364.490 0.597 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001689100421 1294616784 /nfs/dbraw/zinc/61/67/84/1294616784.db2.gz XENKJNYIYJOOEA-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001689178785 1294645954 /nfs/dbraw/zinc/64/59/54/1294645954.db2.gz SSGHDFVEZOLVEC-BHYGNILZSA-N 2 2 361.490 0.941 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001689178785 1294645961 /nfs/dbraw/zinc/64/59/61/1294645961.db2.gz SSGHDFVEZOLVEC-BHYGNILZSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NCc1ccccc1 ZINC001689282307 1294711315 /nfs/dbraw/zinc/71/13/15/1294711315.db2.gz BOSDGUKDEUDDEK-NJAFHUGGSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NCc1ccccc1 ZINC001689282307 1294711323 /nfs/dbraw/zinc/71/13/23/1294711323.db2.gz BOSDGUKDEUDDEK-NJAFHUGGSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NCc1ccccc1 ZINC001689282307 1294711327 /nfs/dbraw/zinc/71/13/27/1294711327.db2.gz BOSDGUKDEUDDEK-NJAFHUGGSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NCc1ccccc1 ZINC001689282307 1294711333 /nfs/dbraw/zinc/71/13/33/1294711333.db2.gz BOSDGUKDEUDDEK-NJAFHUGGSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCOCC(F)(F)F ZINC001689284704 1294713309 /nfs/dbraw/zinc/71/33/09/1294713309.db2.gz GJHQPFCVVXSHRD-AGIUHOORSA-N 2 2 353.385 0.475 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCOCC(F)(F)F ZINC001689284704 1294713318 /nfs/dbraw/zinc/71/33/18/1294713318.db2.gz GJHQPFCVVXSHRD-AGIUHOORSA-N 2 2 353.385 0.475 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCOCC(F)(F)F ZINC001689284704 1294713330 /nfs/dbraw/zinc/71/33/30/1294713330.db2.gz GJHQPFCVVXSHRD-AGIUHOORSA-N 2 2 353.385 0.475 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCOCC(F)(F)F ZINC001689284704 1294713339 /nfs/dbraw/zinc/71/33/39/1294713339.db2.gz GJHQPFCVVXSHRD-AGIUHOORSA-N 2 2 353.385 0.475 20 0 FCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001690657643 1294878399 /nfs/dbraw/zinc/87/83/99/1294878399.db2.gz SAJDJJRFRIFGIX-ARFHVFGLSA-N 2 2 359.474 0.868 20 0 FCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001690657643 1294878412 /nfs/dbraw/zinc/87/84/12/1294878412.db2.gz SAJDJJRFRIFGIX-ARFHVFGLSA-N 2 2 359.474 0.868 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)on1 ZINC001690846627 1294887228 /nfs/dbraw/zinc/88/72/28/1294887228.db2.gz MKBZZJKWDIMRMU-CYZMBNFOSA-N 2 2 360.418 0.933 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001691757100 1294918889 /nfs/dbraw/zinc/91/88/89/1294918889.db2.gz CPADFMCSEITKLI-CABCVRRESA-N 2 2 367.494 0.143 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001691757100 1294918900 /nfs/dbraw/zinc/91/89/00/1294918900.db2.gz CPADFMCSEITKLI-CABCVRRESA-N 2 2 367.494 0.143 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001691759753 1294920495 /nfs/dbraw/zinc/92/04/95/1294920495.db2.gz WDYMTBFHBIATFR-ARFHVFGLSA-N 2 2 365.478 0.203 20 0 FCADLP CC(C)C[NH+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001164652628 719329135 /nfs/dbraw/zinc/32/91/35/719329135.db2.gz NOJMHGKKEFHARH-UHFFFAOYSA-N 2 2 367.519 0.346 20 0 FCADLP Cc1noc([C@@]23COC[C@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)n1 ZINC001164800538 720058460 /nfs/dbraw/zinc/05/84/60/720058460.db2.gz FACTXGFULPZBDI-BEFAXECRSA-N 2 2 370.457 0.929 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(N)cc[nH+]1)C2 ZINC001164824229 720428553 /nfs/dbraw/zinc/42/85/53/720428553.db2.gz KAWWXCUSAUWMAG-HNNXBMFYSA-N 2 2 372.473 0.850 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001070098619 837617181 /nfs/dbraw/zinc/61/71/81/837617181.db2.gz IZQYSBKQYVXGTB-CVEARBPZSA-N 2 2 360.487 0.977 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1n1ccnn1 ZINC001070098619 837617184 /nfs/dbraw/zinc/61/71/84/837617184.db2.gz IZQYSBKQYVXGTB-CVEARBPZSA-N 2 2 360.487 0.977 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccns3)CCCO2)O1 ZINC001073660995 837783443 /nfs/dbraw/zinc/78/34/43/837783443.db2.gz UBNUKRHVOKYNED-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccns3)CCCO2)O1 ZINC001073660995 837783449 /nfs/dbraw/zinc/78/34/49/837783449.db2.gz UBNUKRHVOKYNED-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccns3)CCCO2)O1 ZINC001073660995 837783457 /nfs/dbraw/zinc/78/34/57/837783457.db2.gz UBNUKRHVOKYNED-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccns3)CCCO2)O1 ZINC001073660995 837783464 /nfs/dbraw/zinc/78/34/64/837783464.db2.gz UBNUKRHVOKYNED-IJEWVQPXSA-N 2 2 368.503 0.569 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)s1 ZINC001074709890 837827062 /nfs/dbraw/zinc/82/70/62/837827062.db2.gz VDDLWLBXPGUNHC-UVLXDEKHSA-N 2 2 353.492 0.645 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)s1 ZINC001074709890 837827068 /nfs/dbraw/zinc/82/70/68/837827068.db2.gz VDDLWLBXPGUNHC-UVLXDEKHSA-N 2 2 353.492 0.645 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)nn1 ZINC001099341479 844033802 /nfs/dbraw/zinc/03/38/02/844033802.db2.gz FOKGFJIPPDYHAN-CYZMBNFOSA-N 2 2 360.384 0.246 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)nn1 ZINC001099341479 844033810 /nfs/dbraw/zinc/03/38/10/844033810.db2.gz FOKGFJIPPDYHAN-CYZMBNFOSA-N 2 2 360.384 0.246 20 0 FCADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099346936 844037195 /nfs/dbraw/zinc/03/71/95/844037195.db2.gz WLVOIZZLKIYKBW-MGPQQGTHSA-N 2 2 365.396 0.068 20 0 FCADLP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001099350773 844039109 /nfs/dbraw/zinc/03/91/09/844039109.db2.gz UJARKWRSTVCWLV-CHWSQXEVSA-N 2 2 356.352 0.796 20 0 FCADLP C[C@H](O)CN1CC[N@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249202480 836026114 /nfs/dbraw/zinc/02/61/14/836026114.db2.gz AHDBKXCERXAOMJ-YRXWBPOGSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[N@@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249202480 836026126 /nfs/dbraw/zinc/02/61/26/836026126.db2.gz AHDBKXCERXAOMJ-YRXWBPOGSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249202480 836026139 /nfs/dbraw/zinc/02/61/39/836026139.db2.gz AHDBKXCERXAOMJ-YRXWBPOGSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000249202480 836026152 /nfs/dbraw/zinc/02/61/52/836026152.db2.gz AHDBKXCERXAOMJ-YRXWBPOGSA-N 2 2 356.555 0.150 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001101260608 844125398 /nfs/dbraw/zinc/12/53/98/844125398.db2.gz DGSIMXCRURDDBX-QAPCUYQASA-N 2 2 350.463 0.786 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001101260608 844125403 /nfs/dbraw/zinc/12/54/03/844125403.db2.gz DGSIMXCRURDDBX-QAPCUYQASA-N 2 2 350.463 0.786 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101260608 844125407 /nfs/dbraw/zinc/12/54/07/844125407.db2.gz DGSIMXCRURDDBX-QAPCUYQASA-N 2 2 350.463 0.786 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101260608 844125411 /nfs/dbraw/zinc/12/54/11/844125411.db2.gz DGSIMXCRURDDBX-QAPCUYQASA-N 2 2 350.463 0.786 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101375216 844164516 /nfs/dbraw/zinc/16/45/16/844164516.db2.gz HRRCHYDTYYLKLH-CPUCHLNUSA-N 2 2 368.503 0.413 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)CS(C)(=O)=O ZINC001101375216 844164521 /nfs/dbraw/zinc/16/45/21/844164521.db2.gz HRRCHYDTYYLKLH-CPUCHLNUSA-N 2 2 368.503 0.413 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161640 837963943 /nfs/dbraw/zinc/96/39/43/837963943.db2.gz RSAICIXGPSRLTB-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161640 837963946 /nfs/dbraw/zinc/96/39/46/837963946.db2.gz RSAICIXGPSRLTB-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161640 837963951 /nfs/dbraw/zinc/96/39/51/837963951.db2.gz RSAICIXGPSRLTB-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)C1 ZINC001076161640 837963955 /nfs/dbraw/zinc/96/39/55/837963955.db2.gz RSAICIXGPSRLTB-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001077131750 838759318 /nfs/dbraw/zinc/75/93/18/838759318.db2.gz JLSHBOAZPBOPNF-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC001077131750 838759323 /nfs/dbraw/zinc/75/93/23/838759323.db2.gz JLSHBOAZPBOPNF-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001077131750 838759327 /nfs/dbraw/zinc/75/93/27/838759327.db2.gz JLSHBOAZPBOPNF-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001077131750 838759333 /nfs/dbraw/zinc/75/93/33/838759333.db2.gz JLSHBOAZPBOPNF-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236956 838840378 /nfs/dbraw/zinc/84/03/78/838840378.db2.gz UJXUFIQUJFWEPV-OWCLPIDISA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236956 838840403 /nfs/dbraw/zinc/84/04/03/838840403.db2.gz UJXUFIQUJFWEPV-OWCLPIDISA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077236956 838840412 /nfs/dbraw/zinc/84/04/12/838840412.db2.gz UJXUFIQUJFWEPV-OWCLPIDISA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077236956 838840418 /nfs/dbraw/zinc/84/04/18/838840418.db2.gz UJXUFIQUJFWEPV-OWCLPIDISA-N 2 2 350.463 0.691 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001077399368 838949193 /nfs/dbraw/zinc/94/91/93/838949193.db2.gz GWTMYMAMAGVNEN-YSVLISHTSA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1)OC ZINC001077399368 838949197 /nfs/dbraw/zinc/94/91/97/838949197.db2.gz GWTMYMAMAGVNEN-YSVLISHTSA-N 2 2 350.463 0.348 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444226 838969215 /nfs/dbraw/zinc/96/92/15/838969215.db2.gz QDONQECKKSKHMY-BFYDXBDKSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444226 838969222 /nfs/dbraw/zinc/96/92/22/838969222.db2.gz QDONQECKKSKHMY-BFYDXBDKSA-N 2 2 364.515 0.987 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001077685280 839111878 /nfs/dbraw/zinc/11/18/78/839111878.db2.gz IXRMCCSKUNBTPE-HUUCEWRRSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001077685280 839111885 /nfs/dbraw/zinc/11/18/85/839111885.db2.gz IXRMCCSKUNBTPE-HUUCEWRRSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC001077685280 839111893 /nfs/dbraw/zinc/11/18/93/839111893.db2.gz IXRMCCSKUNBTPE-HUUCEWRRSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC001077685280 839111901 /nfs/dbraw/zinc/11/19/01/839111901.db2.gz IXRMCCSKUNBTPE-HUUCEWRRSA-N 2 2 350.463 0.685 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077892748 839211629 /nfs/dbraw/zinc/21/16/29/839211629.db2.gz ICLGUBIOQDYRSE-GVDBMIGSSA-N 2 2 353.507 0.695 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001077892748 839211638 /nfs/dbraw/zinc/21/16/38/839211638.db2.gz ICLGUBIOQDYRSE-GVDBMIGSSA-N 2 2 353.507 0.695 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)o1 ZINC001077923771 839233343 /nfs/dbraw/zinc/23/33/43/839233343.db2.gz CSGXXKXMJSKQIY-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)o1 ZINC001077923771 839233355 /nfs/dbraw/zinc/23/33/55/839233355.db2.gz CSGXXKXMJSKQIY-IAGOWNOFSA-N 2 2 350.463 0.765 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001078179844 839384450 /nfs/dbraw/zinc/38/44/50/839384450.db2.gz AOFZXUAHGOJTBH-IAGOWNOFSA-N 2 2 353.413 0.764 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001078179844 839384460 /nfs/dbraw/zinc/38/44/60/839384460.db2.gz AOFZXUAHGOJTBH-IAGOWNOFSA-N 2 2 353.413 0.764 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210006 839407016 /nfs/dbraw/zinc/40/70/16/839407016.db2.gz QZXYFQASCBIIAG-BZUAXINKSA-N 2 2 353.488 0.439 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210006 839407021 /nfs/dbraw/zinc/40/70/21/839407021.db2.gz QZXYFQASCBIIAG-BZUAXINKSA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210006 839407032 /nfs/dbraw/zinc/40/70/32/839407032.db2.gz QZXYFQASCBIIAG-BZUAXINKSA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)c3)C[C@H]2O)C1 ZINC001078210006 839407042 /nfs/dbraw/zinc/40/70/42/839407042.db2.gz QZXYFQASCBIIAG-BZUAXINKSA-N 2 2 353.488 0.439 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001078405292 839458068 /nfs/dbraw/zinc/45/80/68/839458068.db2.gz JXVLXNWCGLPQAL-VHDGCEQUSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001078405292 839458072 /nfs/dbraw/zinc/45/80/72/839458072.db2.gz JXVLXNWCGLPQAL-VHDGCEQUSA-N 2 2 353.492 0.585 20 0 FCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC001078434567 839461750 /nfs/dbraw/zinc/46/17/50/839461750.db2.gz LOGUQOLITBKDFI-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP CC(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001079152834 839488444 /nfs/dbraw/zinc/48/84/44/839488444.db2.gz GMRZYFNKHZESNB-NVXWUHKLSA-N 2 2 354.495 0.156 20 0 FCADLP CC(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001079152834 839488450 /nfs/dbraw/zinc/48/84/50/839488450.db2.gz GMRZYFNKHZESNB-NVXWUHKLSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949119 839628388 /nfs/dbraw/zinc/62/83/88/839628388.db2.gz PXKTWMFDHICOOX-HUUCEWRRSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949119 839628400 /nfs/dbraw/zinc/62/84/00/839628400.db2.gz PXKTWMFDHICOOX-HUUCEWRRSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667400 839774318 /nfs/dbraw/zinc/77/43/18/839774318.db2.gz BUQCRYWRBLOKFP-IXDOHACOSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667400 839774327 /nfs/dbraw/zinc/77/43/27/839774327.db2.gz BUQCRYWRBLOKFP-IXDOHACOSA-N 2 2 371.547 0.590 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081434890 839926940 /nfs/dbraw/zinc/92/69/40/839926940.db2.gz DQJOGYWICATOJK-BRWVUGGUSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081434890 839926949 /nfs/dbraw/zinc/92/69/49/839926949.db2.gz DQJOGYWICATOJK-BRWVUGGUSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081434890 839926955 /nfs/dbraw/zinc/92/69/55/839926955.db2.gz DQJOGYWICATOJK-BRWVUGGUSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081434890 839926963 /nfs/dbraw/zinc/92/69/63/839926963.db2.gz DQJOGYWICATOJK-BRWVUGGUSA-N 2 2 350.463 0.955 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481352 839940613 /nfs/dbraw/zinc/94/06/13/839940613.db2.gz FGXIKBGKPPQCRS-BZUAXINKSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481352 839940621 /nfs/dbraw/zinc/94/06/21/839940621.db2.gz FGXIKBGKPPQCRS-BZUAXINKSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[NH+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481352 839940628 /nfs/dbraw/zinc/94/06/28/839940628.db2.gz FGXIKBGKPPQCRS-BZUAXINKSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[NH+](CCc2cccs2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481352 839940633 /nfs/dbraw/zinc/94/06/33/839940633.db2.gz FGXIKBGKPPQCRS-BZUAXINKSA-N 2 2 353.488 0.437 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481319 839940886 /nfs/dbraw/zinc/94/08/86/839940886.db2.gz DMKCHZHUQDQZAU-RBSFLKMASA-N 2 2 368.503 0.140 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481319 839940888 /nfs/dbraw/zinc/94/08/88/839940888.db2.gz DMKCHZHUQDQZAU-RBSFLKMASA-N 2 2 368.503 0.140 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481319 839940891 /nfs/dbraw/zinc/94/08/91/839940891.db2.gz DMKCHZHUQDQZAU-RBSFLKMASA-N 2 2 368.503 0.140 20 0 FCADLP CO[C@@H]1C[NH+](CCc2scnc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481319 839940896 /nfs/dbraw/zinc/94/08/96/839940896.db2.gz DMKCHZHUQDQZAU-RBSFLKMASA-N 2 2 368.503 0.140 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406438 844488484 /nfs/dbraw/zinc/48/84/84/844488484.db2.gz SPUDKVSPEMXBFM-HZSPNIEDSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406438 844488490 /nfs/dbraw/zinc/48/84/90/844488490.db2.gz SPUDKVSPEMXBFM-HZSPNIEDSA-N 2 2 354.476 0.071 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419816 844491178 /nfs/dbraw/zinc/49/11/78/844491178.db2.gz WBLYARTWPYRRIM-BRWVUGGUSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419816 844491183 /nfs/dbraw/zinc/49/11/83/844491183.db2.gz WBLYARTWPYRRIM-BRWVUGGUSA-N 2 2 353.507 0.696 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)co1 ZINC001102468485 844509470 /nfs/dbraw/zinc/50/94/70/844509470.db2.gz KQYBIALGBHBGSS-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)co1 ZINC001102468485 844509480 /nfs/dbraw/zinc/50/94/80/844509480.db2.gz KQYBIALGBHBGSS-GDBMZVCRSA-N 2 2 350.463 0.889 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483118 844521525 /nfs/dbraw/zinc/52/15/25/844521525.db2.gz YYFYGWZQMHWDIG-BZUAXINKSA-N 2 2 352.479 0.670 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483118 844521528 /nfs/dbraw/zinc/52/15/28/844521528.db2.gz YYFYGWZQMHWDIG-BZUAXINKSA-N 2 2 352.479 0.670 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326802 840310450 /nfs/dbraw/zinc/31/04/50/840310450.db2.gz QPIKYCNKWVUQSV-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326802 840310463 /nfs/dbraw/zinc/31/04/63/840310463.db2.gz QPIKYCNKWVUQSV-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326802 840310475 /nfs/dbraw/zinc/31/04/75/840310475.db2.gz QPIKYCNKWVUQSV-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326802 840310488 /nfs/dbraw/zinc/31/04/88/840310488.db2.gz QPIKYCNKWVUQSV-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082459230 840421601 /nfs/dbraw/zinc/42/16/01/840421601.db2.gz UDEXQWWMKGZWIQ-SRCQZFHVSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082459230 840421608 /nfs/dbraw/zinc/42/16/08/840421608.db2.gz UDEXQWWMKGZWIQ-SRCQZFHVSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001082459216 840421975 /nfs/dbraw/zinc/42/19/75/840421975.db2.gz SGAJKCVYTXZRNN-XPKDYRNWSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001082459216 840421980 /nfs/dbraw/zinc/42/19/80/840421980.db2.gz SGAJKCVYTXZRNN-XPKDYRNWSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001082590422 840479031 /nfs/dbraw/zinc/47/90/31/840479031.db2.gz VYWGGNFGXYOCAL-AAVRWANBSA-N 2 2 367.519 0.756 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)s1 ZINC001082590422 840479039 /nfs/dbraw/zinc/47/90/39/840479039.db2.gz VYWGGNFGXYOCAL-AAVRWANBSA-N 2 2 367.519 0.756 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590343 840479436 /nfs/dbraw/zinc/47/94/36/840479436.db2.gz QQTPOKGFMKGBLQ-AAVRWANBSA-N 2 2 351.451 0.288 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590343 840479439 /nfs/dbraw/zinc/47/94/39/840479439.db2.gz QQTPOKGFMKGBLQ-AAVRWANBSA-N 2 2 351.451 0.288 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513511 844544612 /nfs/dbraw/zinc/54/46/12/844544612.db2.gz NKWOZHOGYLQHCV-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513511 844544616 /nfs/dbraw/zinc/54/46/16/844544616.db2.gz NKWOZHOGYLQHCV-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(COC)no2)C[C@H]1C ZINC001102525199 844553192 /nfs/dbraw/zinc/55/31/92/844553192.db2.gz POGSQEQLSJMPDZ-ZIAGYGMSSA-N 2 2 353.467 0.742 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(COC)no2)C[C@H]1C ZINC001102525199 844553201 /nfs/dbraw/zinc/55/32/01/844553201.db2.gz POGSQEQLSJMPDZ-ZIAGYGMSSA-N 2 2 353.467 0.742 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(COC)no2)C[C@H]1C ZINC001102525199 844553206 /nfs/dbraw/zinc/55/32/06/844553206.db2.gz POGSQEQLSJMPDZ-ZIAGYGMSSA-N 2 2 353.467 0.742 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(COC)no2)C[C@H]1C ZINC001102525199 844553215 /nfs/dbraw/zinc/55/32/15/844553215.db2.gz POGSQEQLSJMPDZ-ZIAGYGMSSA-N 2 2 353.467 0.742 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]CC1CC1 ZINC001082656898 840512904 /nfs/dbraw/zinc/51/29/04/840512904.db2.gz AMQVTVBMELARNQ-DDBAPUKQSA-N 2 2 351.491 0.713 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001082703341 840529783 /nfs/dbraw/zinc/52/97/83/840529783.db2.gz MTVIYLGHOLFPNA-MCIONIFRSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001082703341 840529792 /nfs/dbraw/zinc/52/97/92/840529792.db2.gz MTVIYLGHOLFPNA-MCIONIFRSA-N 2 2 353.492 0.584 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082807602 840570249 /nfs/dbraw/zinc/57/02/49/840570249.db2.gz RJLGYABIRJGHRO-VNHYZAJKSA-N 2 2 351.451 0.598 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC001082861222 840587303 /nfs/dbraw/zinc/58/73/03/840587303.db2.gz PINVDUQPARKYBB-IUODEOHRSA-N 2 2 350.854 0.949 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)co1 ZINC001082923745 840604721 /nfs/dbraw/zinc/60/47/21/840604721.db2.gz ZRVWKTYDICPSNB-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538768 844559556 /nfs/dbraw/zinc/55/95/56/844559556.db2.gz UJTSQCYANLCERR-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102538768 844559563 /nfs/dbraw/zinc/55/95/63/844559563.db2.gz UJTSQCYANLCERR-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174823 840772871 /nfs/dbraw/zinc/77/28/71/840772871.db2.gz ZXJOSRBRAZTKKI-RCCFBDPRSA-N 2 2 351.491 0.973 20 0 FCADLP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174823 840772875 /nfs/dbraw/zinc/77/28/75/840772875.db2.gz ZXJOSRBRAZTKKI-RCCFBDPRSA-N 2 2 351.491 0.973 20 0 FCADLP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174823 840772880 /nfs/dbraw/zinc/77/28/80/840772880.db2.gz ZXJOSRBRAZTKKI-RCCFBDPRSA-N 2 2 351.491 0.973 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174823 840772883 /nfs/dbraw/zinc/77/28/83/840772883.db2.gz ZXJOSRBRAZTKKI-RCCFBDPRSA-N 2 2 351.491 0.973 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579515 844575050 /nfs/dbraw/zinc/57/50/50/844575050.db2.gz BGAKVKRLENDNLF-HUUCEWRRSA-N 2 2 352.458 0.528 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579515 844575057 /nfs/dbraw/zinc/57/50/57/844575057.db2.gz BGAKVKRLENDNLF-HUUCEWRRSA-N 2 2 352.458 0.528 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210442 840797916 /nfs/dbraw/zinc/79/79/16/840797916.db2.gz CFGAUNAPHVMTOU-HRCADAONSA-N 2 2 350.463 0.953 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210442 840797925 /nfs/dbraw/zinc/79/79/25/840797925.db2.gz CFGAUNAPHVMTOU-HRCADAONSA-N 2 2 350.463 0.953 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001083275967 840858219 /nfs/dbraw/zinc/85/82/19/840858219.db2.gz GIEXJRXNXOOCBG-UZZNXUKWSA-N 2 2 357.882 0.619 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001083275967 840858225 /nfs/dbraw/zinc/85/82/25/840858225.db2.gz GIEXJRXNXOOCBG-UZZNXUKWSA-N 2 2 357.882 0.619 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385155 840955086 /nfs/dbraw/zinc/95/50/86/840955086.db2.gz FMXIYWRYSLKHLD-IXDOHACOSA-N 2 2 351.422 0.148 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385155 840955089 /nfs/dbraw/zinc/95/50/89/840955089.db2.gz FMXIYWRYSLKHLD-IXDOHACOSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385155 840955095 /nfs/dbraw/zinc/95/50/95/840955095.db2.gz FMXIYWRYSLKHLD-IXDOHACOSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@@H]2O)C1 ZINC001083385155 840955102 /nfs/dbraw/zinc/95/51/02/840955102.db2.gz FMXIYWRYSLKHLD-IXDOHACOSA-N 2 2 351.422 0.148 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001083470081 841043314 /nfs/dbraw/zinc/04/33/14/841043314.db2.gz YDMYTBFOCHNROU-DTJDELGGSA-N 2 2 371.909 0.647 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001083470081 841043324 /nfs/dbraw/zinc/04/33/24/841043324.db2.gz YDMYTBFOCHNROU-DTJDELGGSA-N 2 2 371.909 0.647 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001083475050 841049747 /nfs/dbraw/zinc/04/97/47/841049747.db2.gz OSTFXYZETVKJEU-JJXSEGSLSA-N 2 2 369.897 0.428 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001083475050 841049759 /nfs/dbraw/zinc/04/97/59/841049759.db2.gz OSTFXYZETVKJEU-JJXSEGSLSA-N 2 2 369.897 0.428 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001083475050 841049771 /nfs/dbraw/zinc/04/97/71/841049771.db2.gz OSTFXYZETVKJEU-JJXSEGSLSA-N 2 2 369.897 0.428 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001083475050 841049777 /nfs/dbraw/zinc/04/97/77/841049777.db2.gz OSTFXYZETVKJEU-JJXSEGSLSA-N 2 2 369.897 0.428 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563669 841173924 /nfs/dbraw/zinc/17/39/24/841173924.db2.gz ZVLQQSSUIJQZNG-OAGGEKHMSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563669 841173928 /nfs/dbraw/zinc/17/39/28/841173928.db2.gz ZVLQQSSUIJQZNG-OAGGEKHMSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)cs1 ZINC001083573480 841187362 /nfs/dbraw/zinc/18/73/62/841187362.db2.gz KLNSXIPFGMPMCG-PMPSAXMXSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)cs1 ZINC001083573480 841187365 /nfs/dbraw/zinc/18/73/65/841187365.db2.gz KLNSXIPFGMPMCG-PMPSAXMXSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)cs1 ZINC001083573480 841187368 /nfs/dbraw/zinc/18/73/68/841187368.db2.gz KLNSXIPFGMPMCG-PMPSAXMXSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)cs1 ZINC001083573480 841187370 /nfs/dbraw/zinc/18/73/70/841187370.db2.gz KLNSXIPFGMPMCG-PMPSAXMXSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573271 841187641 /nfs/dbraw/zinc/18/76/41/841187641.db2.gz DKMVQCWARYYSIQ-OAGGEKHMSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573271 841187645 /nfs/dbraw/zinc/18/76/45/841187645.db2.gz DKMVQCWARYYSIQ-OAGGEKHMSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573271 841187651 /nfs/dbraw/zinc/18/76/51/841187651.db2.gz DKMVQCWARYYSIQ-OAGGEKHMSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573271 841187657 /nfs/dbraw/zinc/18/76/57/841187657.db2.gz DKMVQCWARYYSIQ-OAGGEKHMSA-N 2 2 352.504 0.906 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196705 /nfs/dbraw/zinc/19/67/05/861196705.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196718 /nfs/dbraw/zinc/19/67/18/861196718.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196727 /nfs/dbraw/zinc/19/67/27/861196727.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196740 /nfs/dbraw/zinc/19/67/40/861196740.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196750 /nfs/dbraw/zinc/19/67/50/861196750.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800422 861196763 /nfs/dbraw/zinc/19/67/63/861196763.db2.gz CYQHNJZXVQMLTP-MJGOQNOKSA-N 2 2 352.523 0.319 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083781618 841430188 /nfs/dbraw/zinc/43/01/88/841430188.db2.gz OXYPYOGETXSDRR-CFVMTHIKSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083781618 841430195 /nfs/dbraw/zinc/43/01/95/841430195.db2.gz OXYPYOGETXSDRR-CFVMTHIKSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083781618 841430205 /nfs/dbraw/zinc/43/02/05/841430205.db2.gz OXYPYOGETXSDRR-CFVMTHIKSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)o1 ZINC001083781618 841430209 /nfs/dbraw/zinc/43/02/09/841430209.db2.gz OXYPYOGETXSDRR-CFVMTHIKSA-N 2 2 350.463 0.549 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937133 841582231 /nfs/dbraw/zinc/58/22/31/841582231.db2.gz NXTVEEZHZOFHLO-SJORKVTESA-N 2 2 364.515 0.926 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937133 841582238 /nfs/dbraw/zinc/58/22/38/841582238.db2.gz NXTVEEZHZOFHLO-SJORKVTESA-N 2 2 364.515 0.926 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079010 841690015 /nfs/dbraw/zinc/69/00/15/841690015.db2.gz QZXYFQASCBIIAG-PMPSAXMXSA-N 2 2 353.488 0.439 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079010 841690023 /nfs/dbraw/zinc/69/00/23/841690023.db2.gz QZXYFQASCBIIAG-PMPSAXMXSA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079010 841690032 /nfs/dbraw/zinc/69/00/32/841690032.db2.gz QZXYFQASCBIIAG-PMPSAXMXSA-N 2 2 353.488 0.439 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)c3)C[C@@H]2O)C1 ZINC001084079010 841690036 /nfs/dbraw/zinc/69/00/36/841690036.db2.gz QZXYFQASCBIIAG-PMPSAXMXSA-N 2 2 353.488 0.439 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084701774 841890363 /nfs/dbraw/zinc/89/03/63/841890363.db2.gz RHUZFQULBYNEBH-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084701774 841890366 /nfs/dbraw/zinc/89/03/66/841890366.db2.gz RHUZFQULBYNEBH-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084701774 841890375 /nfs/dbraw/zinc/89/03/75/841890375.db2.gz RHUZFQULBYNEBH-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084701774 841890385 /nfs/dbraw/zinc/89/03/85/841890385.db2.gz RHUZFQULBYNEBH-IXDOHACOSA-N 2 2 350.507 0.870 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001085014984 841991020 /nfs/dbraw/zinc/99/10/20/841991020.db2.gz PFSJPZLYGKSHAB-BPQIPLTHSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085014984 841991026 /nfs/dbraw/zinc/99/10/26/841991026.db2.gz PFSJPZLYGKSHAB-BPQIPLTHSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001085014984 841991032 /nfs/dbraw/zinc/99/10/32/841991032.db2.gz PFSJPZLYGKSHAB-BPQIPLTHSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001085014984 841991039 /nfs/dbraw/zinc/99/10/39/841991039.db2.gz PFSJPZLYGKSHAB-BPQIPLTHSA-N 2 2 351.491 0.545 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001085605985 842108414 /nfs/dbraw/zinc/10/84/14/842108414.db2.gz ZNSDOKJXMMZXPC-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001085605985 842108418 /nfs/dbraw/zinc/10/84/18/842108418.db2.gz ZNSDOKJXMMZXPC-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001085605985 842108425 /nfs/dbraw/zinc/10/84/25/842108425.db2.gz ZNSDOKJXMMZXPC-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001085605985 842108432 /nfs/dbraw/zinc/10/84/32/842108432.db2.gz ZNSDOKJXMMZXPC-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120332 842122709 /nfs/dbraw/zinc/12/27/09/842122709.db2.gz VHJARWITMCKJLU-SOMZYNEFSA-N 2 2 350.467 0.378 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120332 842122717 /nfs/dbraw/zinc/12/27/17/842122717.db2.gz VHJARWITMCKJLU-SOMZYNEFSA-N 2 2 350.467 0.378 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001086400597 842130763 /nfs/dbraw/zinc/13/07/63/842130763.db2.gz OIVLWPAPLJULJE-BNGXUDDSSA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c(C)o1 ZINC001086400597 842130777 /nfs/dbraw/zinc/13/07/77/842130777.db2.gz OIVLWPAPLJULJE-BNGXUDDSSA-N 2 2 350.463 0.995 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400759 842131178 /nfs/dbraw/zinc/13/11/78/842131178.db2.gz WMZJVCAWRZDPLZ-KBUPBQIOSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400759 842131180 /nfs/dbraw/zinc/13/11/80/842131180.db2.gz WMZJVCAWRZDPLZ-KBUPBQIOSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400663 842131191 /nfs/dbraw/zinc/13/11/91/842131191.db2.gz RCXFDAAQPUCSNK-IXYNUQLISA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400663 842131193 /nfs/dbraw/zinc/13/11/93/842131193.db2.gz RCXFDAAQPUCSNK-IXYNUQLISA-N 2 2 350.467 0.002 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001086764724 842168565 /nfs/dbraw/zinc/16/85/65/842168565.db2.gz DETSZEKSOXROLP-HZMVEIRTSA-N 2 2 357.470 0.710 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)s1 ZINC001275980451 861279020 /nfs/dbraw/zinc/27/90/20/861279020.db2.gz QPEXYMSGCPEGQS-MRXNPFEDSA-N 2 2 354.476 0.517 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)s1 ZINC001275980451 861279026 /nfs/dbraw/zinc/27/90/26/861279026.db2.gz QPEXYMSGCPEGQS-MRXNPFEDSA-N 2 2 354.476 0.517 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001086880352 842189924 /nfs/dbraw/zinc/18/99/24/842189924.db2.gz VMZIMRRAWJMYLC-ZNMIVQPWSA-N 2 2 350.467 0.208 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001086880352 842189929 /nfs/dbraw/zinc/18/99/29/842189929.db2.gz VMZIMRRAWJMYLC-ZNMIVQPWSA-N 2 2 350.467 0.208 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC001086880835 842190880 /nfs/dbraw/zinc/19/08/80/842190880.db2.gz QZLBNKAIECLCKF-RRFJBIMHSA-N 2 2 351.451 0.473 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC001086880835 842190884 /nfs/dbraw/zinc/19/08/84/842190884.db2.gz QZLBNKAIECLCKF-RRFJBIMHSA-N 2 2 351.451 0.473 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cscn1 ZINC001087038729 842236080 /nfs/dbraw/zinc/23/60/80/842236080.db2.gz WGEOHHLBWSJWAR-FVQBIDKESA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cscn1 ZINC001087038729 842236086 /nfs/dbraw/zinc/23/60/86/842236086.db2.gz WGEOHHLBWSJWAR-FVQBIDKESA-N 2 2 368.503 0.427 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087088330 842280907 /nfs/dbraw/zinc/28/09/07/842280907.db2.gz UFUFIRJECTXQDD-BXUZGUMPSA-N 2 2 350.448 0.457 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@@H+]1CC(=O)N(C)C ZINC001087700499 842408957 /nfs/dbraw/zinc/40/89/57/842408957.db2.gz OBFUCTHMKMSGKZ-XHSDSOJGSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC[N@H+]1CC(=O)N(C)C ZINC001087700499 842408967 /nfs/dbraw/zinc/40/89/67/842408967.db2.gz OBFUCTHMKMSGKZ-XHSDSOJGSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N(C)C ZINC001087700499 842408972 /nfs/dbraw/zinc/40/89/72/842408972.db2.gz OBFUCTHMKMSGKZ-XHSDSOJGSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC[NH+]1CC(=O)N(C)C ZINC001087700499 842408977 /nfs/dbraw/zinc/40/89/77/842408977.db2.gz OBFUCTHMKMSGKZ-XHSDSOJGSA-N 2 2 354.495 0.153 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087727997 842416438 /nfs/dbraw/zinc/41/64/38/842416438.db2.gz WXMIGSNZOLVCBY-JKSUJKDBSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087727997 842416446 /nfs/dbraw/zinc/41/64/46/842416446.db2.gz WXMIGSNZOLVCBY-JKSUJKDBSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)NC1CC1 ZINC001087727997 842416457 /nfs/dbraw/zinc/41/64/57/842416457.db2.gz WXMIGSNZOLVCBY-JKSUJKDBSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)NC1CC1 ZINC001087727997 842416463 /nfs/dbraw/zinc/41/64/63/842416463.db2.gz WXMIGSNZOLVCBY-JKSUJKDBSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001087847809 842451402 /nfs/dbraw/zinc/45/14/02/842451402.db2.gz SBMOIGQSFYLZDF-OWCLPIDISA-N 2 2 368.503 0.677 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001087847809 842451405 /nfs/dbraw/zinc/45/14/05/842451405.db2.gz SBMOIGQSFYLZDF-OWCLPIDISA-N 2 2 368.503 0.677 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506040 842593236 /nfs/dbraw/zinc/59/32/36/842593236.db2.gz FMHFDQULFFAMTR-KMFMINBZSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506040 842593239 /nfs/dbraw/zinc/59/32/39/842593239.db2.gz FMHFDQULFFAMTR-KMFMINBZSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506040 842593241 /nfs/dbraw/zinc/59/32/41/842593241.db2.gz FMHFDQULFFAMTR-KMFMINBZSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506040 842593244 /nfs/dbraw/zinc/59/32/44/842593244.db2.gz FMHFDQULFFAMTR-KMFMINBZSA-N 2 2 350.463 0.955 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052959 842761408 /nfs/dbraw/zinc/76/14/08/842761408.db2.gz FXIGVWYOZONZMF-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052959 842761412 /nfs/dbraw/zinc/76/14/12/842761412.db2.gz FXIGVWYOZONZMF-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052959 842761421 /nfs/dbraw/zinc/76/14/21/842761421.db2.gz FXIGVWYOZONZMF-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)[C@@H]2C)C1 ZINC001089052959 842761428 /nfs/dbraw/zinc/76/14/28/842761428.db2.gz FXIGVWYOZONZMF-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCS(C)(=O)=O ZINC001089058827 842762554 /nfs/dbraw/zinc/76/25/54/842762554.db2.gz KTYDBDMDJRARQM-PBHICJAKSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCS(C)(=O)=O ZINC001089058827 842762556 /nfs/dbraw/zinc/76/25/56/842762556.db2.gz KTYDBDMDJRARQM-PBHICJAKSA-N 2 2 367.515 0.985 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccnc1F)C2 ZINC001276224325 861358738 /nfs/dbraw/zinc/35/87/38/861358738.db2.gz GJEKFLGKLJXLBW-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccnc1F)C2 ZINC001276224325 861358755 /nfs/dbraw/zinc/35/87/55/861358755.db2.gz GJEKFLGKLJXLBW-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP CCn1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001091096867 842960641 /nfs/dbraw/zinc/96/06/41/842960641.db2.gz CGYVZMDJWKVQKB-UWLZSVRSSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001091096867 842960652 /nfs/dbraw/zinc/96/06/52/842960652.db2.gz CGYVZMDJWKVQKB-UWLZSVRSSA-N 2 2 350.467 0.002 20 0 FCADLP C[C@]12CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001092292149 843180361 /nfs/dbraw/zinc/18/03/61/843180361.db2.gz OWHDUTPDWQFVLQ-LMMKCTJWSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092292149 843180368 /nfs/dbraw/zinc/18/03/68/843180368.db2.gz OWHDUTPDWQFVLQ-LMMKCTJWSA-N 2 2 351.491 0.260 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521666 843226540 /nfs/dbraw/zinc/22/65/40/843226540.db2.gz AVJGHGMPKHCBDR-WQVCFCJDSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521666 843226543 /nfs/dbraw/zinc/22/65/43/843226543.db2.gz AVJGHGMPKHCBDR-WQVCFCJDSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521666 843226551 /nfs/dbraw/zinc/22/65/51/843226551.db2.gz AVJGHGMPKHCBDR-WQVCFCJDSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)oc1C ZINC001092521666 843226564 /nfs/dbraw/zinc/22/65/64/843226564.db2.gz AVJGHGMPKHCBDR-WQVCFCJDSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725232 843286457 /nfs/dbraw/zinc/28/64/57/843286457.db2.gz CLKUVJNWSQSQPE-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725232 843286460 /nfs/dbraw/zinc/28/64/60/843286460.db2.gz CLKUVJNWSQSQPE-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725232 843286468 /nfs/dbraw/zinc/28/64/68/843286468.db2.gz CLKUVJNWSQSQPE-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)n1 ZINC001092725232 843286477 /nfs/dbraw/zinc/28/64/77/843286477.db2.gz CLKUVJNWSQSQPE-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782272 843300544 /nfs/dbraw/zinc/30/05/44/843300544.db2.gz KPAKCPATQMEXMD-UKRRQHHQSA-N 2 2 364.471 0.677 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782272 843300558 /nfs/dbraw/zinc/30/05/58/843300558.db2.gz KPAKCPATQMEXMD-UKRRQHHQSA-N 2 2 364.471 0.677 20 0 FCADLP COCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855708 843322125 /nfs/dbraw/zinc/32/21/25/843322125.db2.gz ROYXYXGFQCEZBS-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)[C@H](C)C1 ZINC001092855708 843322135 /nfs/dbraw/zinc/32/21/35/843322135.db2.gz ROYXYXGFQCEZBS-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855708 843322144 /nfs/dbraw/zinc/32/21/44/843322144.db2.gz ROYXYXGFQCEZBS-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[NH+]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)[C@H](C)C1 ZINC001092855708 843322156 /nfs/dbraw/zinc/32/21/56/843322156.db2.gz ROYXYXGFQCEZBS-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@H]1C(C)C ZINC001093472934 843441202 /nfs/dbraw/zinc/44/12/02/843441202.db2.gz LUUWIKMFNMCKJD-AHCXZYCDSA-N 2 2 350.463 0.219 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)C1 ZINC001094232312 843537072 /nfs/dbraw/zinc/53/70/72/843537072.db2.gz RAEQAJFEUOJQJV-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nc(C)no3)[C@H](C)C2)C1 ZINC001094232312 843537079 /nfs/dbraw/zinc/53/70/79/843537079.db2.gz RAEQAJFEUOJQJV-YUELXQCFSA-N 2 2 351.451 0.283 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001095668480 843746226 /nfs/dbraw/zinc/74/62/26/843746226.db2.gz PORUSDUQSHBNAE-LTIDMASMSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)C ZINC001095668480 843746236 /nfs/dbraw/zinc/74/62/36/843746236.db2.gz PORUSDUQSHBNAE-LTIDMASMSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)C ZINC001095668480 843746242 /nfs/dbraw/zinc/74/62/42/843746242.db2.gz PORUSDUQSHBNAE-LTIDMASMSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)C ZINC001095668480 843746249 /nfs/dbraw/zinc/74/62/49/843746249.db2.gz PORUSDUQSHBNAE-LTIDMASMSA-N 2 2 350.507 0.917 20 0 FCADLP CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398426 843914691 /nfs/dbraw/zinc/91/46/91/843914691.db2.gz UHWVGVPPBSOZCQ-FVQBIDKESA-N 2 2 350.463 0.833 20 0 FCADLP CO[C@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398426 843914698 /nfs/dbraw/zinc/91/46/98/843914698.db2.gz UHWVGVPPBSOZCQ-FVQBIDKESA-N 2 2 350.463 0.833 20 0 FCADLP CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398426 843914705 /nfs/dbraw/zinc/91/47/05/843914705.db2.gz UHWVGVPPBSOZCQ-FVQBIDKESA-N 2 2 350.463 0.833 20 0 FCADLP CO[C@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398426 843914710 /nfs/dbraw/zinc/91/47/10/843914710.db2.gz UHWVGVPPBSOZCQ-FVQBIDKESA-N 2 2 350.463 0.833 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099029387 843956621 /nfs/dbraw/zinc/95/66/21/843956621.db2.gz BDEPCBSPUYVHHG-KKXDTOCCSA-N 2 2 354.470 0.655 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[NH+](CC(N)=O)C3)C1 ZINC001099029387 843956627 /nfs/dbraw/zinc/95/66/27/843956627.db2.gz BDEPCBSPUYVHHG-KKXDTOCCSA-N 2 2 354.470 0.655 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(N)=O)C3)C1 ZINC001099029387 843956632 /nfs/dbraw/zinc/95/66/32/843956632.db2.gz BDEPCBSPUYVHHG-KKXDTOCCSA-N 2 2 354.470 0.655 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(N)=O)C3)C1 ZINC001099029387 843956638 /nfs/dbraw/zinc/95/66/38/843956638.db2.gz BDEPCBSPUYVHHG-KKXDTOCCSA-N 2 2 354.470 0.655 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C(F)(F)F ZINC001099271944 843998486 /nfs/dbraw/zinc/99/84/86/843998486.db2.gz BMCNAHDMMXTLAS-IRUJWGPZSA-N 2 2 364.368 0.710 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258489 844727572 /nfs/dbraw/zinc/72/75/72/844727572.db2.gz CFEVSFLBJSNNHM-OAGGEKHMSA-N 2 2 352.479 0.434 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103258489 844727574 /nfs/dbraw/zinc/72/75/74/844727574.db2.gz CFEVSFLBJSNNHM-OAGGEKHMSA-N 2 2 352.479 0.434 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472211 844763655 /nfs/dbraw/zinc/76/36/55/844763655.db2.gz IROQRUKWMBORMK-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472211 844763662 /nfs/dbraw/zinc/76/36/62/844763662.db2.gz IROQRUKWMBORMK-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@H](CC(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001103479578 844764885 /nfs/dbraw/zinc/76/48/85/844764885.db2.gz PGLDLRCYPPGBPF-BRWVUGGUSA-N 2 2 352.479 0.917 20 0 FCADLP C[C@H](CC(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001103479578 844764891 /nfs/dbraw/zinc/76/48/91/844764891.db2.gz PGLDLRCYPPGBPF-BRWVUGGUSA-N 2 2 352.479 0.917 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574410 844782866 /nfs/dbraw/zinc/78/28/66/844782866.db2.gz OHPMDQILJZBTSV-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574410 844782870 /nfs/dbraw/zinc/78/28/70/844782870.db2.gz OHPMDQILJZBTSV-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609955 861497602 /nfs/dbraw/zinc/49/76/02/861497602.db2.gz NSFCWVXDULWRDZ-KBXCAEBGSA-N 2 2 353.463 0.588 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609955 861497609 /nfs/dbraw/zinc/49/76/09/861497609.db2.gz NSFCWVXDULWRDZ-KBXCAEBGSA-N 2 2 353.463 0.588 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)C[C@@]2(F)CN(CC[NH+]3CCCC3)C[C@@]12F ZINC001276611312 861499637 /nfs/dbraw/zinc/49/96/37/861499637.db2.gz LCSNQYPZMRXJTK-DLBZAZTESA-N 2 2 353.417 0.553 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276611836 861500562 /nfs/dbraw/zinc/50/05/62/861500562.db2.gz YAFMVJYPIFJGTL-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276611836 861500570 /nfs/dbraw/zinc/50/05/70/861500570.db2.gz YAFMVJYPIFJGTL-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033894 844856403 /nfs/dbraw/zinc/85/64/03/844856403.db2.gz KRZILRJFQZFNDE-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104033894 844856405 /nfs/dbraw/zinc/85/64/05/844856405.db2.gz KRZILRJFQZFNDE-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC[NH2+]Cc1cnsn1 ZINC001104795711 844944565 /nfs/dbraw/zinc/94/45/65/844944565.db2.gz VLEABRYZZICQNA-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[C@H](C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001104839511 844950044 /nfs/dbraw/zinc/95/00/44/844950044.db2.gz DBMBIPIIAYWLOA-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097165 844979806 /nfs/dbraw/zinc/97/98/06/844979806.db2.gz MRJNUWIFXUGCLN-BRWVUGGUSA-N 2 2 352.479 0.745 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106343189 845160403 /nfs/dbraw/zinc/16/04/03/845160403.db2.gz UBZPCLBXANUIDH-QLFBSQMISA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CCOCCO ZINC001106343187 845160530 /nfs/dbraw/zinc/16/05/30/845160530.db2.gz TXCNEXPVFIQALO-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001106705217 845229079 /nfs/dbraw/zinc/22/90/79/845229079.db2.gz XCESDKXQSXZCKO-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCO[C@H]1CCOC1 ZINC001106705172 845229382 /nfs/dbraw/zinc/22/93/82/845229382.db2.gz UYRSASGTPWLUJE-INMHGKMJSA-N 2 2 350.463 0.832 20 0 FCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011492 845309714 /nfs/dbraw/zinc/30/97/14/845309714.db2.gz DITXMMAQUQUQGU-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001107078698 845327042 /nfs/dbraw/zinc/32/70/42/845327042.db2.gz JLQPHTSUJOSISH-RRFJBIMHSA-N 2 2 356.492 0.248 20 0 FCADLP CCOCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023948 845423379 /nfs/dbraw/zinc/42/33/79/845423379.db2.gz GPURRGLTQJCLHF-JFIYKMOQSA-N 2 2 357.495 0.339 20 0 FCADLP CCOCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023948 845423385 /nfs/dbraw/zinc/42/33/85/845423385.db2.gz GPURRGLTQJCLHF-JFIYKMOQSA-N 2 2 357.495 0.339 20 0 FCADLP CCOCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108023948 845423389 /nfs/dbraw/zinc/42/33/89/845423389.db2.gz GPURRGLTQJCLHF-JFIYKMOQSA-N 2 2 357.495 0.339 20 0 FCADLP CCOCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108023948 845423395 /nfs/dbraw/zinc/42/33/95/845423395.db2.gz GPURRGLTQJCLHF-JFIYKMOQSA-N 2 2 357.495 0.339 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)C ZINC001109363266 845630317 /nfs/dbraw/zinc/63/03/17/845630317.db2.gz STPQBZKEGQOCEH-UGUYLWEFSA-N 2 2 356.486 0.912 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)C ZINC001109363266 845630322 /nfs/dbraw/zinc/63/03/22/845630322.db2.gz STPQBZKEGQOCEH-UGUYLWEFSA-N 2 2 356.486 0.912 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411681 845647493 /nfs/dbraw/zinc/64/74/93/845647493.db2.gz HLNNLKXDCBSUBU-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411681 845647498 /nfs/dbraw/zinc/64/74/98/845647498.db2.gz HLNNLKXDCBSUBU-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109411681 845647502 /nfs/dbraw/zinc/64/75/02/845647502.db2.gz HLNNLKXDCBSUBU-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109411681 845647506 /nfs/dbraw/zinc/64/75/06/845647506.db2.gz HLNNLKXDCBSUBU-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001109864965 845750532 /nfs/dbraw/zinc/75/05/32/845750532.db2.gz DECGWNMQIAHASM-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001109864965 845750534 /nfs/dbraw/zinc/75/05/34/845750534.db2.gz DECGWNMQIAHASM-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001109934263 845763027 /nfs/dbraw/zinc/76/30/27/845763027.db2.gz XEUHSXSLDOIBGT-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001109934263 845763034 /nfs/dbraw/zinc/76/30/34/845763034.db2.gz XEUHSXSLDOIBGT-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109934263 845763040 /nfs/dbraw/zinc/76/30/40/845763040.db2.gz XEUHSXSLDOIBGT-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109934263 845763046 /nfs/dbraw/zinc/76/30/46/845763046.db2.gz XEUHSXSLDOIBGT-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101984 845790205 /nfs/dbraw/zinc/79/02/05/845790205.db2.gz NWLLTCIATHQDRZ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101984 845790209 /nfs/dbraw/zinc/79/02/09/845790209.db2.gz NWLLTCIATHQDRZ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101984 845790213 /nfs/dbraw/zinc/79/02/13/845790213.db2.gz NWLLTCIATHQDRZ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101984 845790222 /nfs/dbraw/zinc/79/02/22/845790222.db2.gz NWLLTCIATHQDRZ-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101173 845790721 /nfs/dbraw/zinc/79/07/21/845790721.db2.gz BRNVJEBRPXROFM-FZKCQIBNSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101173 845790728 /nfs/dbraw/zinc/79/07/28/845790728.db2.gz BRNVJEBRPXROFM-FZKCQIBNSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101173 845790736 /nfs/dbraw/zinc/79/07/36/845790736.db2.gz BRNVJEBRPXROFM-FZKCQIBNSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101173 845790740 /nfs/dbraw/zinc/79/07/40/845790740.db2.gz BRNVJEBRPXROFM-FZKCQIBNSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103385 845792116 /nfs/dbraw/zinc/79/21/16/845792116.db2.gz RKKQRMMDFIQGSI-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103385 845792118 /nfs/dbraw/zinc/79/21/18/845792118.db2.gz RKKQRMMDFIQGSI-YVSFHVDLSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001110159398 845807905 /nfs/dbraw/zinc/80/79/05/845807905.db2.gz ONCVXIXFLJPZTG-PMPSAXMXSA-N 2 2 372.535 0.084 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1CCCS1(=O)=O ZINC001110159398 845807910 /nfs/dbraw/zinc/80/79/10/845807910.db2.gz ONCVXIXFLJPZTG-PMPSAXMXSA-N 2 2 372.535 0.084 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001110159398 845807913 /nfs/dbraw/zinc/80/79/13/845807913.db2.gz ONCVXIXFLJPZTG-PMPSAXMXSA-N 2 2 372.535 0.084 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O ZINC001110159398 845807919 /nfs/dbraw/zinc/80/79/19/845807919.db2.gz ONCVXIXFLJPZTG-PMPSAXMXSA-N 2 2 372.535 0.084 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001110664773 845943370 /nfs/dbraw/zinc/94/33/70/845943370.db2.gz XFSVUNCBVBRVNX-FPCVCCKLSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001110664773 845943374 /nfs/dbraw/zinc/94/33/74/845943374.db2.gz XFSVUNCBVBRVNX-FPCVCCKLSA-N 2 2 369.531 0.627 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667756 845945094 /nfs/dbraw/zinc/94/50/94/845945094.db2.gz JGJHWUIHQXTBGV-CBZIJGRNSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667756 845945101 /nfs/dbraw/zinc/94/51/01/845945101.db2.gz JGJHWUIHQXTBGV-CBZIJGRNSA-N 2 2 350.507 0.820 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666506 845945433 /nfs/dbraw/zinc/94/54/33/845945433.db2.gz NVCLVKGWOKIALL-CBZIJGRNSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666506 845945439 /nfs/dbraw/zinc/94/54/39/845945439.db2.gz NVCLVKGWOKIALL-CBZIJGRNSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111171541 846053854 /nfs/dbraw/zinc/05/38/54/846053854.db2.gz IMUFUPKTUALCQF-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001111171541 846053859 /nfs/dbraw/zinc/05/38/59/846053859.db2.gz IMUFUPKTUALCQF-VQHPVUNQSA-N 2 2 371.547 0.875 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001111465474 846117978 /nfs/dbraw/zinc/11/79/78/846117978.db2.gz XBTNOTYCTPQIRY-ZACQAIPSSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N(C)CC1CC1 ZINC001111465474 846117983 /nfs/dbraw/zinc/11/79/83/846117983.db2.gz XBTNOTYCTPQIRY-ZACQAIPSSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001111465474 846117989 /nfs/dbraw/zinc/11/79/89/846117989.db2.gz XBTNOTYCTPQIRY-ZACQAIPSSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001111465474 846117996 /nfs/dbraw/zinc/11/79/96/846117996.db2.gz XBTNOTYCTPQIRY-ZACQAIPSSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111464101 846118035 /nfs/dbraw/zinc/11/80/35/846118035.db2.gz HZJSAPRZFLIEAT-SVGFKBNWSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111464101 846118039 /nfs/dbraw/zinc/11/80/39/846118039.db2.gz HZJSAPRZFLIEAT-SVGFKBNWSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111464101 846118041 /nfs/dbraw/zinc/11/80/41/846118041.db2.gz HZJSAPRZFLIEAT-SVGFKBNWSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001111464101 846118043 /nfs/dbraw/zinc/11/80/43/846118043.db2.gz HZJSAPRZFLIEAT-SVGFKBNWSA-N 2 2 350.507 0.963 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731246 846184503 /nfs/dbraw/zinc/18/45/03/846184503.db2.gz QTLHWTQJRKYAHP-YJBOKZPZSA-N 2 2 350.463 0.976 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731246 846184508 /nfs/dbraw/zinc/18/45/08/846184508.db2.gz QTLHWTQJRKYAHP-YJBOKZPZSA-N 2 2 350.463 0.976 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111961069 846277262 /nfs/dbraw/zinc/27/72/62/846277262.db2.gz HBSOAIKBSXFUFU-YJBOKZPZSA-N 2 2 350.463 0.332 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111961069 846277271 /nfs/dbraw/zinc/27/72/71/846277271.db2.gz HBSOAIKBSXFUFU-YJBOKZPZSA-N 2 2 350.463 0.332 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984673 846283286 /nfs/dbraw/zinc/28/32/86/846283286.db2.gz JDTSYXVLPMYDBD-LPHOPBHVSA-N 2 2 350.507 0.921 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984673 846283288 /nfs/dbraw/zinc/28/32/88/846283288.db2.gz JDTSYXVLPMYDBD-LPHOPBHVSA-N 2 2 350.507 0.921 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984934 846283530 /nfs/dbraw/zinc/28/35/30/846283530.db2.gz VEOTTXISYRTNHQ-RDJZCZTQSA-N 2 2 357.520 0.488 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984934 846283537 /nfs/dbraw/zinc/28/35/37/846283537.db2.gz VEOTTXISYRTNHQ-RDJZCZTQSA-N 2 2 357.520 0.488 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112123417 846401266 /nfs/dbraw/zinc/40/12/66/846401266.db2.gz IUSGVGXOXSHPJK-YNEHKIRRSA-N 2 2 360.380 0.807 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)c1nncn1C ZINC001112159953 846426074 /nfs/dbraw/zinc/42/60/74/846426074.db2.gz JGERFIQRKXCCKJ-QJPTWQEYSA-N 2 2 362.400 0.807 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F)NC1CC1 ZINC001112217703 846472874 /nfs/dbraw/zinc/47/28/74/846472874.db2.gz UFVQZKSDGYUARA-VXGBXAGGSA-N 2 2 359.352 0.141 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386597 846499878 /nfs/dbraw/zinc/49/98/78/846499878.db2.gz BNVZCWYDKXCSPV-ZVZYQTTQSA-N 2 2 350.463 0.568 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386597 846499881 /nfs/dbraw/zinc/49/98/81/846499881.db2.gz BNVZCWYDKXCSPV-ZVZYQTTQSA-N 2 2 350.463 0.568 20 0 FCADLP C[NH+]1CCN(CCCN2CC3(C[NH+](C4CCCC4)C3)OCC2=O)CC1 ZINC001276939112 861698471 /nfs/dbraw/zinc/69/84/71/861698471.db2.gz DPWGUNQJPKIGON-UHFFFAOYSA-N 2 2 350.507 0.480 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001118106420 847281530 /nfs/dbraw/zinc/28/15/30/847281530.db2.gz DCTVRZQFAZNYHW-PVAVHDDUSA-N 2 2 350.507 0.776 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001118106420 847281538 /nfs/dbraw/zinc/28/15/38/847281538.db2.gz DCTVRZQFAZNYHW-PVAVHDDUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001119345637 847816695 /nfs/dbraw/zinc/81/66/95/847816695.db2.gz YORACZWWAAJRRX-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001119345637 847816700 /nfs/dbraw/zinc/81/67/00/847816700.db2.gz YORACZWWAAJRRX-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CF)C3)C2)CC1 ZINC001119474909 847855708 /nfs/dbraw/zinc/85/57/08/847855708.db2.gz PPXSXOYSIWHLQQ-LSDHHAIUSA-N 2 2 354.470 0.479 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CF)C3)C2)CC1 ZINC001119474909 847855715 /nfs/dbraw/zinc/85/57/15/847855715.db2.gz PPXSXOYSIWHLQQ-LSDHHAIUSA-N 2 2 354.470 0.479 20 0 FCADLP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1CC[NH+](C2CCCC2)CC1 ZINC001121983390 848429803 /nfs/dbraw/zinc/42/98/03/848429803.db2.gz YGKYXLRMTHGDNL-FVQBIDKESA-N 2 2 355.504 0.096 20 0 FCADLP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001122386436 848501802 /nfs/dbraw/zinc/50/18/02/848501802.db2.gz JWOSSAQKMSZBTI-UHFFFAOYSA-N 2 2 350.467 0.001 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H]2CN(C)CC[NH+]2C)C1 ZINC001123475481 848595752 /nfs/dbraw/zinc/59/57/52/848595752.db2.gz ISJIHJFOXUNYML-BRWVUGGUSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC001123475481 848595728 /nfs/dbraw/zinc/59/57/28/848595728.db2.gz ISJIHJFOXUNYML-BRWVUGGUSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC001123475481 848595732 /nfs/dbraw/zinc/59/57/32/848595732.db2.gz ISJIHJFOXUNYML-BRWVUGGUSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001123475481 848595738 /nfs/dbraw/zinc/59/57/38/848595738.db2.gz ISJIHJFOXUNYML-BRWVUGGUSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001123475481 848595742 /nfs/dbraw/zinc/59/57/42/848595742.db2.gz ISJIHJFOXUNYML-BRWVUGGUSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001123475481 848595755 /nfs/dbraw/zinc/59/57/55/848595755.db2.gz ISJIHJFOXUNYML-BRWVUGGUSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001123475481 848595760 /nfs/dbraw/zinc/59/57/60/848595760.db2.gz ISJIHJFOXUNYML-BRWVUGGUSA-N 2 2 355.527 0.277 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053126 848800717 /nfs/dbraw/zinc/80/07/17/848800717.db2.gz RYNGCIALZSJECW-LOSLYSQWSA-N 2 2 352.870 0.712 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)C1CC1 ZINC001129053126 848800727 /nfs/dbraw/zinc/80/07/27/848800727.db2.gz RYNGCIALZSJECW-LOSLYSQWSA-N 2 2 352.870 0.712 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220488 848819657 /nfs/dbraw/zinc/81/96/57/848819657.db2.gz XJZPDKXFIVZEEA-ZNMIVQPWSA-N 2 2 352.458 0.710 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220488 848819661 /nfs/dbraw/zinc/81/96/61/848819661.db2.gz XJZPDKXFIVZEEA-ZNMIVQPWSA-N 2 2 352.458 0.710 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130081406 848941457 /nfs/dbraw/zinc/94/14/57/848941457.db2.gz MWLWTQUCRDJZJT-KGLIPLIRSA-N 2 2 364.479 0.013 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130081406 848941462 /nfs/dbraw/zinc/94/14/62/848941462.db2.gz MWLWTQUCRDJZJT-KGLIPLIRSA-N 2 2 364.479 0.013 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772665 849039839 /nfs/dbraw/zinc/03/98/39/849039839.db2.gz WYRPZKDNAFTARH-MELADBBJSA-N 2 2 350.467 0.735 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCC[N@H+]3C)n2)O1 ZINC001130772665 849039842 /nfs/dbraw/zinc/03/98/42/849039842.db2.gz WYRPZKDNAFTARH-MELADBBJSA-N 2 2 350.467 0.735 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809229 849047609 /nfs/dbraw/zinc/04/76/09/849047609.db2.gz MYTXMLQLTIHVGZ-HZSPNIEDSA-N 2 2 350.467 0.592 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@@H](C)C3)n2)O1 ZINC001130809229 849047610 /nfs/dbraw/zinc/04/76/10/849047610.db2.gz MYTXMLQLTIHVGZ-HZSPNIEDSA-N 2 2 350.467 0.592 20 0 FCADLP CCC[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130816103 849048209 /nfs/dbraw/zinc/04/82/09/849048209.db2.gz KVFIHLJIMRXVGG-QWHCGFSZSA-N 2 2 356.446 0.542 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1 ZINC001130816103 849048211 /nfs/dbraw/zinc/04/82/11/849048211.db2.gz KVFIHLJIMRXVGG-QWHCGFSZSA-N 2 2 356.446 0.542 20 0 FCADLP Cc1ncsc1C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131611076 849131140 /nfs/dbraw/zinc/13/11/40/849131140.db2.gz VAOAOJYIOIUHDR-CABCVRRESA-N 2 2 368.503 0.537 20 0 FCADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142629643 849456646 /nfs/dbraw/zinc/45/66/46/849456646.db2.gz UGYDRYIZLPJCFW-CQSZACIVSA-N 2 2 368.459 0.093 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](C[C@H](C)O)CC1 ZINC001151167290 849679876 /nfs/dbraw/zinc/67/98/76/849679876.db2.gz CPFJPVCYMQZPDD-RRFJBIMHSA-N 2 2 350.463 0.881 20 0 FCADLP COCCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](C[C@H](C)O)CC1 ZINC001151167290 849679879 /nfs/dbraw/zinc/67/98/79/849679879.db2.gz CPFJPVCYMQZPDD-RRFJBIMHSA-N 2 2 350.463 0.881 20 0 FCADLP CC[N@H+](CC(=O)NCC(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020149 849775199 /nfs/dbraw/zinc/77/51/99/849775199.db2.gz ASAITDOHWRYDTL-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[N@@H+](CC(=O)NCC(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020149 849775203 /nfs/dbraw/zinc/77/52/03/849775203.db2.gz ASAITDOHWRYDTL-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](CC(=O)NCC(C)C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001154020149 849775209 /nfs/dbraw/zinc/77/52/09/849775209.db2.gz ASAITDOHWRYDTL-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@@H+]2C1 ZINC001154930692 849822280 /nfs/dbraw/zinc/82/22/80/849822280.db2.gz AONMYCHAGQWURI-IKGGRYGDSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@H+]2C1 ZINC001154930692 849822288 /nfs/dbraw/zinc/82/22/88/849822288.db2.gz AONMYCHAGQWURI-IKGGRYGDSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC[N@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930692 849822293 /nfs/dbraw/zinc/82/22/93/849822293.db2.gz AONMYCHAGQWURI-IKGGRYGDSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC[N@@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930692 849822299 /nfs/dbraw/zinc/82/22/99/849822299.db2.gz AONMYCHAGQWURI-IKGGRYGDSA-N 2 2 350.507 0.729 20 0 FCADLP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001155228330 849839696 /nfs/dbraw/zinc/83/96/96/849839696.db2.gz ZLFIXYQLWBRZIH-AWEZNQCLSA-N 2 2 351.451 0.856 20 0 FCADLP COC(=O)Cc1c(Cl)ncnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155374530 849848999 /nfs/dbraw/zinc/84/89/99/849848999.db2.gz ZKBNHTPGKORHQI-LBPRGKRZSA-N 2 2 353.854 0.705 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157082675 849945079 /nfs/dbraw/zinc/94/50/79/849945079.db2.gz NFZAUCPDDLKPDR-RDBSUJKOSA-N 2 2 352.435 0.546 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157082675 849945084 /nfs/dbraw/zinc/94/50/84/849945084.db2.gz NFZAUCPDDLKPDR-RDBSUJKOSA-N 2 2 352.435 0.546 20 0 FCADLP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157626980 849985775 /nfs/dbraw/zinc/98/57/75/849985775.db2.gz KQAWWENEKZQXGP-IEBWSBKVSA-N 3 2 350.507 0.289 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001158000740 850010824 /nfs/dbraw/zinc/01/08/24/850010824.db2.gz ZGEQKMKUPSMWTC-STQMWFEESA-N 2 2 357.451 0.189 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(=O)OC(C)(CC)CC ZINC001158000502 850010924 /nfs/dbraw/zinc/01/09/24/850010924.db2.gz YNBQVDBAUSAEHQ-STQMWFEESA-N 2 2 357.451 0.189 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001157999015 850011302 /nfs/dbraw/zinc/01/13/02/850011302.db2.gz MPEPFSPBQUZVGY-WFASDCNBSA-N 2 2 355.385 0.588 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159219451 850101899 /nfs/dbraw/zinc/10/18/99/850101899.db2.gz HZDDZPBGJQQDGG-RLFYNMQTSA-N 2 2 362.499 0.750 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)C1 ZINC001160078080 850153161 /nfs/dbraw/zinc/15/31/61/850153161.db2.gz YNFWKMBZWONZEF-MFGQWXODSA-N 2 2 350.394 0.047 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1Cc2cc(Br)cnc2C1 ZINC001160664687 850190286 /nfs/dbraw/zinc/19/02/86/850190286.db2.gz TXVXAEPFHYNBQG-LBPRGKRZSA-N 2 2 350.220 0.990 20 0 FCADLP CCOC(=O)CN(Cc1ccsc1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160770877 850197221 /nfs/dbraw/zinc/19/72/21/850197221.db2.gz XWNVITLEQORFPJ-AWEZNQCLSA-N 2 2 350.444 0.943 20 0 FCADLP Nc1ccc(Br)c2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160846826 850202890 /nfs/dbraw/zinc/20/28/90/850202890.db2.gz OTDFVIGOEJBAJM-HWPZZCPQSA-N 2 2 365.275 0.868 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(CC3CC3)no2)O1 ZINC001160850639 850204277 /nfs/dbraw/zinc/20/42/77/850204277.db2.gz DDOVWOLZQAIVGI-TZMCWYRMSA-N 2 2 351.451 0.337 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc(CC3CC3)no2)O1 ZINC001160850639 850204287 /nfs/dbraw/zinc/20/42/87/850204287.db2.gz DDOVWOLZQAIVGI-TZMCWYRMSA-N 2 2 351.451 0.337 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)C1 ZINC001161138589 850232386 /nfs/dbraw/zinc/23/23/86/850232386.db2.gz WQKNBTQDNKUGHS-CPUCHLNUSA-N 2 2 366.487 0.315 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001161238048 850242909 /nfs/dbraw/zinc/24/29/09/850242909.db2.gz RBAZGGHXJHGDMF-HIFRSBDPSA-N 2 2 351.472 0.812 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001161238048 850242918 /nfs/dbraw/zinc/24/29/18/850242918.db2.gz RBAZGGHXJHGDMF-HIFRSBDPSA-N 2 2 351.472 0.812 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001161733687 850279180 /nfs/dbraw/zinc/27/91/80/850279180.db2.gz MZZWQSNZOHDHRF-UHFFFAOYSA-N 2 2 357.495 0.295 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCN([C@H](C)C(C)=O)C2=O)CC1 ZINC001277837505 862124937 /nfs/dbraw/zinc/12/49/37/862124937.db2.gz YUZVMFLUQUSQKL-WBVHZDCISA-N 2 2 353.507 0.981 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCCO[C@H]1CCOC1 ZINC001166968102 850516803 /nfs/dbraw/zinc/51/68/03/850516803.db2.gz MCPJNOFJPGKJCS-ARFHVFGLSA-N 2 2 350.463 0.815 20 0 FCADLP NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1C(F)(F)F ZINC001169073173 850604511 /nfs/dbraw/zinc/60/45/11/850604511.db2.gz BHTGSWMEISKOAF-MRVPVSSYSA-N 2 2 364.349 0.401 20 0 FCADLP NC(=O)c1c(F)c(Br)ccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072401 850604719 /nfs/dbraw/zinc/60/47/19/850604719.db2.gz NJYOKHQQLNWWFH-SSDOTTSWSA-N 2 2 357.183 0.735 20 0 FCADLP CC(=O)N1CC[C@H]([NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)C1 ZINC001169544192 850629066 /nfs/dbraw/zinc/62/90/66/850629066.db2.gz AYBBREUJNHOLQB-SFHVURJKSA-N 2 2 350.507 0.872 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001171499000 850686689 /nfs/dbraw/zinc/68/66/89/850686689.db2.gz DWBMOBZNYYOPIA-GZBFAFLISA-N 2 2 352.483 0.597 20 0 FCADLP Cc1nnc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001171499000 850686694 /nfs/dbraw/zinc/68/66/94/850686694.db2.gz DWBMOBZNYYOPIA-GZBFAFLISA-N 2 2 352.483 0.597 20 0 FCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171878386 850699037 /nfs/dbraw/zinc/69/90/37/850699037.db2.gz JZISIVRANXRERH-BBWFWOEESA-N 2 2 357.495 0.123 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(=N)SCC[NH3+] ZINC001177088533 850823640 /nfs/dbraw/zinc/82/36/40/850823640.db2.gz OIANFKMEPBSBIJ-SNVBAGLBSA-N 2 2 356.452 0.588 20 0 FCADLP CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(=N)SCC[NH3+] ZINC001177088533 850823645 /nfs/dbraw/zinc/82/36/45/850823645.db2.gz OIANFKMEPBSBIJ-SNVBAGLBSA-N 2 2 356.452 0.588 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001178691410 850917125 /nfs/dbraw/zinc/91/71/25/850917125.db2.gz DZFAERXREKPMDE-ZDUSSCGKSA-N 2 2 356.448 0.093 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001178691410 850917129 /nfs/dbraw/zinc/91/71/29/850917129.db2.gz DZFAERXREKPMDE-ZDUSSCGKSA-N 2 2 356.448 0.093 20 0 FCADLP C[N@H+](CCNC(=O)Cc1cc[nH+]c(N)c1)CCNC(=O)OC(C)(C)C ZINC001181278883 851099820 /nfs/dbraw/zinc/09/98/20/851099820.db2.gz BPZYQNMIGWXSLH-UHFFFAOYSA-N 2 2 351.451 0.779 20 0 FCADLP C[N@@H+](CCNC(=O)Cc1cc[nH+]c(N)c1)CCNC(=O)OC(C)(C)C ZINC001181278883 851099827 /nfs/dbraw/zinc/09/98/27/851099827.db2.gz BPZYQNMIGWXSLH-UHFFFAOYSA-N 2 2 351.451 0.779 20 0 FCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037734 851406116 /nfs/dbraw/zinc/40/61/16/851406116.db2.gz KWCJDYJZFKBKDL-SOUVJXGZSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001186037734 851406132 /nfs/dbraw/zinc/40/61/32/851406132.db2.gz KWCJDYJZFKBKDL-SOUVJXGZSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001186037734 851406144 /nfs/dbraw/zinc/40/61/44/851406144.db2.gz KWCJDYJZFKBKDL-SOUVJXGZSA-N 2 2 350.488 0.633 20 0 FCADLP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001186037734 851406153 /nfs/dbraw/zinc/40/61/53/851406153.db2.gz KWCJDYJZFKBKDL-SOUVJXGZSA-N 2 2 350.488 0.633 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001188724652 851723437 /nfs/dbraw/zinc/72/34/37/851723437.db2.gz ZCHLBCCTHZFGMQ-OWCLPIDISA-N 2 2 368.503 0.487 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001188724652 851723440 /nfs/dbraw/zinc/72/34/40/851723440.db2.gz ZCHLBCCTHZFGMQ-OWCLPIDISA-N 2 2 368.503 0.487 20 0 FCADLP COCc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)n1 ZINC001189055444 851746279 /nfs/dbraw/zinc/74/62/79/851746279.db2.gz USZFTCWQEWLVKL-HZSPNIEDSA-N 2 2 351.451 0.761 20 0 FCADLP COCc1noc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)n1 ZINC001189055444 851746289 /nfs/dbraw/zinc/74/62/89/851746289.db2.gz USZFTCWQEWLVKL-HZSPNIEDSA-N 2 2 351.451 0.761 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190177549 851870106 /nfs/dbraw/zinc/87/01/06/851870106.db2.gz OMAYWTFUABVFEE-VNQPRFMTSA-N 2 2 368.503 0.405 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001190177549 851870115 /nfs/dbraw/zinc/87/01/15/851870115.db2.gz OMAYWTFUABVFEE-VNQPRFMTSA-N 2 2 368.503 0.405 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176151 851870665 /nfs/dbraw/zinc/87/06/65/851870665.db2.gz CMPJCTVASJLDQT-JKSUJKDBSA-N 2 2 357.520 0.440 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176151 851870670 /nfs/dbraw/zinc/87/06/70/851870670.db2.gz CMPJCTVASJLDQT-JKSUJKDBSA-N 2 2 357.520 0.440 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262839 851885929 /nfs/dbraw/zinc/88/59/29/851885929.db2.gz IVLDQUQGIMAFLY-ZNMIVQPWSA-N 2 2 361.433 0.522 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262839 851885936 /nfs/dbraw/zinc/88/59/36/851885936.db2.gz IVLDQUQGIMAFLY-ZNMIVQPWSA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262839 851885942 /nfs/dbraw/zinc/88/59/42/851885942.db2.gz IVLDQUQGIMAFLY-ZNMIVQPWSA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262839 851885948 /nfs/dbraw/zinc/88/59/48/851885948.db2.gz IVLDQUQGIMAFLY-ZNMIVQPWSA-N 2 2 361.433 0.522 20 0 FCADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278394533 862312261 /nfs/dbraw/zinc/31/22/61/862312261.db2.gz DYIRLNCGUXYHRG-IYBDPMFKSA-N 2 2 350.463 0.638 20 0 FCADLP CCOC(=O)c1[nH]ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278394533 862312279 /nfs/dbraw/zinc/31/22/79/862312279.db2.gz DYIRLNCGUXYHRG-IYBDPMFKSA-N 2 2 350.463 0.638 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785107 852137077 /nfs/dbraw/zinc/13/70/77/852137077.db2.gz OBHFLGWSVSFHGN-GRYCIOLGSA-N 2 2 371.375 0.159 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785107 852137083 /nfs/dbraw/zinc/13/70/83/852137083.db2.gz OBHFLGWSVSFHGN-GRYCIOLGSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785107 852137095 /nfs/dbraw/zinc/13/70/95/852137095.db2.gz OBHFLGWSVSFHGN-GRYCIOLGSA-N 2 2 371.375 0.159 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1O ZINC001191785107 852137103 /nfs/dbraw/zinc/13/71/03/852137103.db2.gz OBHFLGWSVSFHGN-GRYCIOLGSA-N 2 2 371.375 0.159 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)CC[N@@H+]1C ZINC001193086108 852352311 /nfs/dbraw/zinc/35/23/11/852352311.db2.gz SNQNOMISJMZDCM-REWJHTLYSA-N 2 2 367.412 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)CC[N@H+]1C ZINC001193086108 852352315 /nfs/dbraw/zinc/35/23/15/852352315.db2.gz SNQNOMISJMZDCM-REWJHTLYSA-N 2 2 367.412 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001193086108 852352320 /nfs/dbraw/zinc/35/23/20/852352320.db2.gz SNQNOMISJMZDCM-REWJHTLYSA-N 2 2 367.412 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001193086108 852352326 /nfs/dbraw/zinc/35/23/26/852352326.db2.gz SNQNOMISJMZDCM-REWJHTLYSA-N 2 2 367.412 0.457 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193790984 852489534 /nfs/dbraw/zinc/48/95/34/852489534.db2.gz ACPZEJUVLNIUKA-CPUCHLNUSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193790984 852489537 /nfs/dbraw/zinc/48/95/37/852489537.db2.gz ACPZEJUVLNIUKA-CPUCHLNUSA-N 2 2 350.463 0.547 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001193929224 852509596 /nfs/dbraw/zinc/50/95/96/852509596.db2.gz HDDGVINVSUJKTH-UPJWGTAASA-N 2 2 355.401 0.313 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)[NH+](C)C ZINC001193929224 852509605 /nfs/dbraw/zinc/50/96/05/852509605.db2.gz HDDGVINVSUJKTH-UPJWGTAASA-N 2 2 355.401 0.313 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC001194258547 852567611 /nfs/dbraw/zinc/56/76/11/852567611.db2.gz DXACMRWAYKVPQY-UHFFFAOYSA-N 2 2 370.475 0.776 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001194264755 852568895 /nfs/dbraw/zinc/56/88/95/852568895.db2.gz FTUSNDMNPAISDI-VXGBXAGGSA-N 2 2 355.401 0.457 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001194264755 852568903 /nfs/dbraw/zinc/56/89/03/852568903.db2.gz FTUSNDMNPAISDI-VXGBXAGGSA-N 2 2 355.401 0.457 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001194264755 852568911 /nfs/dbraw/zinc/56/89/11/852568911.db2.gz FTUSNDMNPAISDI-VXGBXAGGSA-N 2 2 355.401 0.457 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194299164 852575186 /nfs/dbraw/zinc/57/51/86/852575186.db2.gz RLDZVSSLOFWMEX-QLFBSQMISA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194299164 852575189 /nfs/dbraw/zinc/57/51/89/852575189.db2.gz RLDZVSSLOFWMEX-QLFBSQMISA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194299164 852575192 /nfs/dbraw/zinc/57/51/92/852575192.db2.gz RLDZVSSLOFWMEX-QLFBSQMISA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194299164 852575196 /nfs/dbraw/zinc/57/51/96/852575196.db2.gz RLDZVSSLOFWMEX-QLFBSQMISA-N 2 2 354.495 0.065 20 0 FCADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)s1 ZINC001278584160 862379523 /nfs/dbraw/zinc/37/95/23/862379523.db2.gz RRLSGFPEZLNKEP-OKILXGFUSA-N 2 2 353.488 0.981 20 0 FCADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)s1 ZINC001278584160 862379504 /nfs/dbraw/zinc/37/95/04/862379504.db2.gz RRLSGFPEZLNKEP-OKILXGFUSA-N 2 2 353.488 0.981 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007154 852692024 /nfs/dbraw/zinc/69/20/24/852692024.db2.gz YPMBYAAUUOPZFU-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007154 852692031 /nfs/dbraw/zinc/69/20/31/852692031.db2.gz YPMBYAAUUOPZFU-HZPDHXFCSA-N 2 2 350.463 0.909 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196115203 852893197 /nfs/dbraw/zinc/89/31/97/852893197.db2.gz LKFRVMLSUYBQFU-BZUAXINKSA-N 2 2 356.511 0.135 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196115203 852893205 /nfs/dbraw/zinc/89/32/05/852893205.db2.gz LKFRVMLSUYBQFU-BZUAXINKSA-N 2 2 356.511 0.135 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196222158 852919663 /nfs/dbraw/zinc/91/96/63/852919663.db2.gz HSUJQEGCMZRXHL-CHWSQXEVSA-N 2 2 369.428 0.705 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196222158 852919666 /nfs/dbraw/zinc/91/96/66/852919666.db2.gz HSUJQEGCMZRXHL-CHWSQXEVSA-N 2 2 369.428 0.705 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)CC(C)(C)C ZINC001196222158 852919668 /nfs/dbraw/zinc/91/96/68/852919668.db2.gz HSUJQEGCMZRXHL-CHWSQXEVSA-N 2 2 369.428 0.705 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222501 852920871 /nfs/dbraw/zinc/92/08/71/852920871.db2.gz PUHLLATWWDYTRY-QLFBSQMISA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222501 852920877 /nfs/dbraw/zinc/92/08/77/852920877.db2.gz PUHLLATWWDYTRY-QLFBSQMISA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222501 852920884 /nfs/dbraw/zinc/92/08/84/852920884.db2.gz PUHLLATWWDYTRY-QLFBSQMISA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222501 852920886 /nfs/dbraw/zinc/92/08/86/852920886.db2.gz PUHLLATWWDYTRY-QLFBSQMISA-N 2 2 356.511 0.170 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826723 853016163 /nfs/dbraw/zinc/01/61/63/853016163.db2.gz HJWWRLWORTXQTA-KBRIMQKVSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826723 853016171 /nfs/dbraw/zinc/01/61/71/853016171.db2.gz HJWWRLWORTXQTA-KBRIMQKVSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826723 853016178 /nfs/dbraw/zinc/01/61/78/853016178.db2.gz HJWWRLWORTXQTA-KBRIMQKVSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001196826723 853016189 /nfs/dbraw/zinc/01/61/89/853016189.db2.gz HJWWRLWORTXQTA-KBRIMQKVSA-N 2 2 350.463 0.566 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001197926225 853187707 /nfs/dbraw/zinc/18/77/07/853187707.db2.gz GOZKWGLSDLADDT-CHWSQXEVSA-N 2 2 355.401 0.459 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001197926225 853187710 /nfs/dbraw/zinc/18/77/10/853187710.db2.gz GOZKWGLSDLADDT-CHWSQXEVSA-N 2 2 355.401 0.459 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001198048460 853211044 /nfs/dbraw/zinc/21/10/44/853211044.db2.gz VLBKPGWXAMNDRT-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001198048460 853211052 /nfs/dbraw/zinc/21/10/52/853211052.db2.gz VLBKPGWXAMNDRT-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001198048460 853211057 /nfs/dbraw/zinc/21/10/57/853211057.db2.gz VLBKPGWXAMNDRT-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1O ZINC001198048460 853211064 /nfs/dbraw/zinc/21/10/64/853211064.db2.gz VLBKPGWXAMNDRT-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198048645 853211158 /nfs/dbraw/zinc/21/11/58/853211158.db2.gz YBIYHHWSUUSUIX-IXDOHACOSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198048645 853211167 /nfs/dbraw/zinc/21/11/67/853211167.db2.gz YBIYHHWSUUSUIX-IXDOHACOSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198048645 853211171 /nfs/dbraw/zinc/21/11/71/853211171.db2.gz YBIYHHWSUUSUIX-IXDOHACOSA-N 2 2 353.438 0.362 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)C[C@H]1O ZINC001198048645 853211180 /nfs/dbraw/zinc/21/11/80/853211180.db2.gz YBIYHHWSUUSUIX-IXDOHACOSA-N 2 2 353.438 0.362 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001198292846 853246809 /nfs/dbraw/zinc/24/68/09/853246809.db2.gz SWFJRLDLHMGPRX-USXIJHARSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001198292846 853246813 /nfs/dbraw/zinc/24/68/13/853246813.db2.gz SWFJRLDLHMGPRX-USXIJHARSA-N 2 2 350.463 0.331 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198687958 853301363 /nfs/dbraw/zinc/30/13/63/853301363.db2.gz CBZQYXZVUHDLQW-BPLDGKMQSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198687958 853301367 /nfs/dbraw/zinc/30/13/67/853301367.db2.gz CBZQYXZVUHDLQW-BPLDGKMQSA-N 2 2 368.503 0.081 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001199111838 853371729 /nfs/dbraw/zinc/37/17/29/853371729.db2.gz OOLMGXUWBLBHIB-IAGOWNOFSA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001199111838 853371736 /nfs/dbraw/zinc/37/17/36/853371736.db2.gz OOLMGXUWBLBHIB-IAGOWNOFSA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001199111838 853371749 /nfs/dbraw/zinc/37/17/49/853371749.db2.gz OOLMGXUWBLBHIB-IAGOWNOFSA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001199111838 853371760 /nfs/dbraw/zinc/37/17/60/853371760.db2.gz OOLMGXUWBLBHIB-IAGOWNOFSA-N 2 2 353.438 0.320 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001199398273 853418873 /nfs/dbraw/zinc/41/88/73/853418873.db2.gz MDQNYMYLEARSRS-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001199398273 853418880 /nfs/dbraw/zinc/41/88/80/853418880.db2.gz MDQNYMYLEARSRS-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125383 853517434 /nfs/dbraw/zinc/51/74/34/853517434.db2.gz USIVIASTNWXEOC-ZIAGYGMSSA-N 2 2 354.476 0.529 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125383 853517438 /nfs/dbraw/zinc/51/74/38/853517438.db2.gz USIVIASTNWXEOC-ZIAGYGMSSA-N 2 2 354.476 0.529 20 0 FCADLP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125178 853517646 /nfs/dbraw/zinc/51/76/46/853517646.db2.gz KIUQFLWYGJLMHD-ZIAGYGMSSA-N 2 2 369.491 0.033 20 0 FCADLP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125178 853517654 /nfs/dbraw/zinc/51/76/54/853517654.db2.gz KIUQFLWYGJLMHD-ZIAGYGMSSA-N 2 2 369.491 0.033 20 0 FCADLP C[NH+]1CCN(c2cc(NS(=O)(=O)c3ccc(N)c(N)c3)cc[nH+]2)CC1 ZINC001201667147 853537393 /nfs/dbraw/zinc/53/73/93/853537393.db2.gz MEKYGFFQSLICKI-UHFFFAOYSA-N 2 2 362.459 0.799 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC(C[NH2+]CCF)CC1 ZINC001205742092 853631873 /nfs/dbraw/zinc/63/18/73/853631873.db2.gz VJIDIWJFWDGLKM-SJORKVTESA-N 2 2 357.470 0.664 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586104 853701995 /nfs/dbraw/zinc/70/19/95/853701995.db2.gz NTLVCEHNSUHXRF-RBSFLKMASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206586104 853702000 /nfs/dbraw/zinc/70/20/00/853702000.db2.gz NTLVCEHNSUHXRF-RBSFLKMASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206586104 853702006 /nfs/dbraw/zinc/70/20/06/853702006.db2.gz NTLVCEHNSUHXRF-RBSFLKMASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206586104 853702009 /nfs/dbraw/zinc/70/20/09/853702009.db2.gz NTLVCEHNSUHXRF-RBSFLKMASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922391 853753493 /nfs/dbraw/zinc/75/34/93/853753493.db2.gz KQGCJYAVRDZZQP-MGPQQGTHSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922391 853753498 /nfs/dbraw/zinc/75/34/98/853753498.db2.gz KQGCJYAVRDZZQP-MGPQQGTHSA-N 2 2 354.476 0.214 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232691 853792866 /nfs/dbraw/zinc/79/28/66/853792866.db2.gz XNAKPJDCGZCSFM-TZMCWYRMSA-N 2 2 352.504 0.996 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232691 853792869 /nfs/dbraw/zinc/79/28/69/853792869.db2.gz XNAKPJDCGZCSFM-TZMCWYRMSA-N 2 2 352.504 0.996 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545351 853822105 /nfs/dbraw/zinc/82/21/05/853822105.db2.gz QXNSQHSVOPSJEF-HUUCEWRRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545351 853822113 /nfs/dbraw/zinc/82/21/13/853822113.db2.gz QXNSQHSVOPSJEF-HUUCEWRRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545382 853822149 /nfs/dbraw/zinc/82/21/49/853822149.db2.gz SGRPSMZFWXVMDS-RBSFLKMASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545382 853822154 /nfs/dbraw/zinc/82/21/54/853822154.db2.gz SGRPSMZFWXVMDS-RBSFLKMASA-N 2 2 357.520 0.342 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750055 853854420 /nfs/dbraw/zinc/85/44/20/853854420.db2.gz JKRUHYQBBAAGCS-RRFJBIMHSA-N 2 2 361.552 0.834 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750055 853854427 /nfs/dbraw/zinc/85/44/27/853854427.db2.gz JKRUHYQBBAAGCS-RRFJBIMHSA-N 2 2 361.552 0.834 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750055 853854429 /nfs/dbraw/zinc/85/44/29/853854429.db2.gz JKRUHYQBBAAGCS-RRFJBIMHSA-N 2 2 361.552 0.834 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750055 853854438 /nfs/dbraw/zinc/85/44/38/853854438.db2.gz JKRUHYQBBAAGCS-RRFJBIMHSA-N 2 2 361.552 0.834 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(CC[NH+](C)C)C2 ZINC001208127855 853898654 /nfs/dbraw/zinc/89/86/54/853898654.db2.gz XZWNAIJQTQELNX-MRXNPFEDSA-N 2 2 351.495 0.230 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252023 853907509 /nfs/dbraw/zinc/90/75/09/853907509.db2.gz AVIUMSCXTXRXBH-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252023 853907512 /nfs/dbraw/zinc/90/75/12/853907512.db2.gz AVIUMSCXTXRXBH-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252083 853907621 /nfs/dbraw/zinc/90/76/21/853907621.db2.gz CNDLCRWCPWYHJH-HUUCEWRRSA-N 2 2 350.467 0.417 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252083 853907625 /nfs/dbraw/zinc/90/76/25/853907625.db2.gz CNDLCRWCPWYHJH-HUUCEWRRSA-N 2 2 350.467 0.417 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405341 853927734 /nfs/dbraw/zinc/92/77/34/853927734.db2.gz SNOSEMWNOYUYKY-KFWWJZLASA-N 2 2 363.449 0.814 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405341 853927736 /nfs/dbraw/zinc/92/77/36/853927736.db2.gz SNOSEMWNOYUYKY-KFWWJZLASA-N 2 2 363.449 0.814 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405341 853927739 /nfs/dbraw/zinc/92/77/39/853927739.db2.gz SNOSEMWNOYUYKY-KFWWJZLASA-N 2 2 363.449 0.814 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@H]2C)C1 ZINC001208405341 853927740 /nfs/dbraw/zinc/92/77/40/853927740.db2.gz SNOSEMWNOYUYKY-KFWWJZLASA-N 2 2 363.449 0.814 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495883 853942916 /nfs/dbraw/zinc/94/29/16/853942916.db2.gz BMVLVHHKOANMMD-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208495883 853942921 /nfs/dbraw/zinc/94/29/21/853942921.db2.gz BMVLVHHKOANMMD-VXGBXAGGSA-N 2 2 352.401 0.395 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575305 853955201 /nfs/dbraw/zinc/95/52/01/853955201.db2.gz MXLLZCDQATWWQG-KFWWJZLASA-N 2 2 362.540 0.093 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575305 853955203 /nfs/dbraw/zinc/95/52/03/853955203.db2.gz MXLLZCDQATWWQG-KFWWJZLASA-N 2 2 362.540 0.093 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198589 854401680 /nfs/dbraw/zinc/40/16/80/854401680.db2.gz HPZUKUFCGGVKSA-RBSFLKMASA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198589 854401685 /nfs/dbraw/zinc/40/16/85/854401685.db2.gz HPZUKUFCGGVKSA-RBSFLKMASA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001212350863 854447457 /nfs/dbraw/zinc/44/74/57/854447457.db2.gz IUHHIOWVLXOZLY-HUUCEWRRSA-N 2 2 371.503 0.248 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001212350863 854447460 /nfs/dbraw/zinc/44/74/60/854447460.db2.gz IUHHIOWVLXOZLY-HUUCEWRRSA-N 2 2 371.503 0.248 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403763 854465178 /nfs/dbraw/zinc/46/51/78/854465178.db2.gz UTLGFFGFQSNLHQ-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403763 854465179 /nfs/dbraw/zinc/46/51/79/854465179.db2.gz UTLGFFGFQSNLHQ-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403763 854465181 /nfs/dbraw/zinc/46/51/81/854465181.db2.gz UTLGFFGFQSNLHQ-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403763 854465182 /nfs/dbraw/zinc/46/51/82/854465182.db2.gz UTLGFFGFQSNLHQ-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403655 854465224 /nfs/dbraw/zinc/46/52/24/854465224.db2.gz QIPKBBZPXIOPMB-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403655 854465226 /nfs/dbraw/zinc/46/52/26/854465226.db2.gz QIPKBBZPXIOPMB-ZIAGYGMSSA-N 2 2 354.495 0.201 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406295 854466341 /nfs/dbraw/zinc/46/63/41/854466341.db2.gz NTXXOMPOJFRXHQ-BRWVUGGUSA-N 2 2 351.495 0.819 20 0 FCADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406295 854466348 /nfs/dbraw/zinc/46/63/48/854466348.db2.gz NTXXOMPOJFRXHQ-BRWVUGGUSA-N 2 2 351.495 0.819 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409510 854467177 /nfs/dbraw/zinc/46/71/77/854467177.db2.gz HCJWDIOCHTVESI-ZACQAIPSSA-N 2 2 350.463 0.947 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409510 854467182 /nfs/dbraw/zinc/46/71/82/854467182.db2.gz HCJWDIOCHTVESI-ZACQAIPSSA-N 2 2 350.463 0.947 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430425 854475155 /nfs/dbraw/zinc/47/51/55/854475155.db2.gz MXQCLUNFVHVYPK-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430425 854475157 /nfs/dbraw/zinc/47/51/57/854475157.db2.gz MXQCLUNFVHVYPK-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430425 854475161 /nfs/dbraw/zinc/47/51/61/854475161.db2.gz MXQCLUNFVHVYPK-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430425 854475165 /nfs/dbraw/zinc/47/51/65/854475165.db2.gz MXQCLUNFVHVYPK-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC)[NH+](C)C ZINC001212460767 854488791 /nfs/dbraw/zinc/48/87/91/854488791.db2.gz MTCPGCPIHXKXNE-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC)[NH+](C)C ZINC001212460767 854488802 /nfs/dbraw/zinc/48/88/02/854488802.db2.gz MTCPGCPIHXKXNE-BZUAXINKSA-N 2 2 350.463 0.746 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212477122 854495280 /nfs/dbraw/zinc/49/52/80/854495280.db2.gz UALZEPMHXKRGJF-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001212477122 854495284 /nfs/dbraw/zinc/49/52/84/854495284.db2.gz UALZEPMHXKRGJF-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483124 854497058 /nfs/dbraw/zinc/49/70/58/854497058.db2.gz CBXFCADVRZGDEH-RBSFLKMASA-N 2 2 356.511 0.576 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483124 854497060 /nfs/dbraw/zinc/49/70/60/854497060.db2.gz CBXFCADVRZGDEH-RBSFLKMASA-N 2 2 356.511 0.576 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483124 854497064 /nfs/dbraw/zinc/49/70/64/854497064.db2.gz CBXFCADVRZGDEH-RBSFLKMASA-N 2 2 356.511 0.576 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483124 854497068 /nfs/dbraw/zinc/49/70/68/854497068.db2.gz CBXFCADVRZGDEH-RBSFLKMASA-N 2 2 356.511 0.576 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485009 854497193 /nfs/dbraw/zinc/49/71/93/854497193.db2.gz NXZJPVHICXSWFF-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485009 854497194 /nfs/dbraw/zinc/49/71/94/854497194.db2.gz NXZJPVHICXSWFF-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212487012 854499303 /nfs/dbraw/zinc/49/93/03/854499303.db2.gz OJDOECJNEQRQNV-HZPDHXFCSA-N 2 2 351.495 0.774 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212487012 854499310 /nfs/dbraw/zinc/49/93/10/854499310.db2.gz OJDOECJNEQRQNV-HZPDHXFCSA-N 2 2 351.495 0.774 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212487012 854499314 /nfs/dbraw/zinc/49/93/14/854499314.db2.gz OJDOECJNEQRQNV-HZPDHXFCSA-N 2 2 351.495 0.774 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212487012 854499320 /nfs/dbraw/zinc/49/93/20/854499320.db2.gz OJDOECJNEQRQNV-HZPDHXFCSA-N 2 2 351.495 0.774 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204374 854532118 /nfs/dbraw/zinc/53/21/18/854532118.db2.gz HCGBBNDJRKQRGC-HZPDHXFCSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204374 854532122 /nfs/dbraw/zinc/53/21/22/854532122.db2.gz HCGBBNDJRKQRGC-HZPDHXFCSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241665 854546629 /nfs/dbraw/zinc/54/66/29/854546629.db2.gz IEJYOSMTNLZLNI-JHJVBQTASA-N 2 2 364.368 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241665 854546632 /nfs/dbraw/zinc/54/66/32/854546632.db2.gz IEJYOSMTNLZLNI-JHJVBQTASA-N 2 2 364.368 0.402 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335370 854579004 /nfs/dbraw/zinc/57/90/04/854579004.db2.gz CCYOBTRSVYPADS-USXIJHARSA-N 2 2 350.463 0.606 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335370 854579013 /nfs/dbraw/zinc/57/90/13/854579013.db2.gz CCYOBTRSVYPADS-USXIJHARSA-N 2 2 350.463 0.606 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339913 854580265 /nfs/dbraw/zinc/58/02/65/854580265.db2.gz GYMRLOSDCHDJLG-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339913 854580274 /nfs/dbraw/zinc/58/02/74/854580274.db2.gz GYMRLOSDCHDJLG-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346527 854582967 /nfs/dbraw/zinc/58/29/67/854582967.db2.gz QXEVULATVHQVOW-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346527 854582977 /nfs/dbraw/zinc/58/29/77/854582977.db2.gz QXEVULATVHQVOW-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213598394 854680693 /nfs/dbraw/zinc/68/06/93/854680693.db2.gz FWDDKRPNQBNJDF-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1OC ZINC001213598394 854680695 /nfs/dbraw/zinc/68/06/95/854680695.db2.gz FWDDKRPNQBNJDF-ARFHVFGLSA-N 2 2 356.511 0.399 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638625 854694818 /nfs/dbraw/zinc/69/48/18/854694818.db2.gz XMMVNQMPRLMMJR-HZPDHXFCSA-N 2 2 368.503 0.569 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638625 854694819 /nfs/dbraw/zinc/69/48/19/854694819.db2.gz XMMVNQMPRLMMJR-HZPDHXFCSA-N 2 2 368.503 0.569 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728204 854738353 /nfs/dbraw/zinc/73/83/53/854738353.db2.gz FHJDRVDEGJJXTR-CHWSQXEVSA-N 2 2 365.396 0.477 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728204 854738364 /nfs/dbraw/zinc/73/83/64/854738364.db2.gz FHJDRVDEGJJXTR-CHWSQXEVSA-N 2 2 365.396 0.477 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765043 854758181 /nfs/dbraw/zinc/75/81/81/854758181.db2.gz RNOGLGUUNXHSJK-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765043 854758187 /nfs/dbraw/zinc/75/81/87/854758187.db2.gz RNOGLGUUNXHSJK-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765043 854758197 /nfs/dbraw/zinc/75/81/97/854758197.db2.gz RNOGLGUUNXHSJK-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765043 854758205 /nfs/dbraw/zinc/75/82/05/854758205.db2.gz RNOGLGUUNXHSJK-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927613 854828955 /nfs/dbraw/zinc/82/89/55/854828955.db2.gz RZMKLDDBKPCXKB-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927613 854828961 /nfs/dbraw/zinc/82/89/61/854828961.db2.gz RZMKLDDBKPCXKB-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927613 854828967 /nfs/dbraw/zinc/82/89/67/854828967.db2.gz RZMKLDDBKPCXKB-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927613 854828974 /nfs/dbraw/zinc/82/89/74/854828974.db2.gz RZMKLDDBKPCXKB-HZPDHXFCSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001214530805 854964031 /nfs/dbraw/zinc/96/40/31/854964031.db2.gz FKKQXRCQMUDBKX-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814112 855017529 /nfs/dbraw/zinc/01/75/29/855017529.db2.gz GTWFEEKQGFBJLE-DJIMGWMZSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814112 855017539 /nfs/dbraw/zinc/01/75/39/855017539.db2.gz GTWFEEKQGFBJLE-DJIMGWMZSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268957 855092247 /nfs/dbraw/zinc/09/22/47/855092247.db2.gz FLEBUVOOKTZHTH-HZPDHXFCSA-N 2 2 370.519 0.923 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269361 855092450 /nfs/dbraw/zinc/09/24/50/855092450.db2.gz XRRFLOVRUAEFIS-HUUCEWRRSA-N 2 2 350.467 0.417 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001215681419 855135401 /nfs/dbraw/zinc/13/54/01/855135401.db2.gz YHKJXXHMAJSXIA-RAIGVLPGSA-N 2 2 364.368 0.329 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216630481 855220232 /nfs/dbraw/zinc/22/02/32/855220232.db2.gz GYAREHLLCDETEQ-UKRRQHHQSA-N 2 2 356.492 0.224 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830076 855252710 /nfs/dbraw/zinc/25/27/10/855252710.db2.gz JWEOQSWRPDQBKP-VNQPRFMTSA-N 2 2 367.515 0.550 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830076 855252717 /nfs/dbraw/zinc/25/27/17/855252717.db2.gz JWEOQSWRPDQBKP-VNQPRFMTSA-N 2 2 367.515 0.550 20 0 FCADLP COC(=O)c1nc(Br)cnc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218522685 855432878 /nfs/dbraw/zinc/43/28/78/855432878.db2.gz AIVOKJGKFIGDSZ-SSDOTTSWSA-N 2 2 369.179 0.257 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218567806 855441222 /nfs/dbraw/zinc/44/12/22/855441222.db2.gz UOYKPKUXCZVJOF-VIFPVBQESA-N 2 2 364.207 0.156 20 0 FCADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669799 855460815 /nfs/dbraw/zinc/46/08/15/855460815.db2.gz WTBDGZRBLJINLD-UKRRQHHQSA-N 2 2 353.467 0.685 20 0 FCADLP CSc1nc(Br)c(NC(=O)[C@@H]([NH3+])CC[NH3+])n2ccnc12 ZINC001218688226 855464476 /nfs/dbraw/zinc/46/44/76/855464476.db2.gz JYPKWUFULDFKME-LURJTMIESA-N 2 2 359.253 0.828 20 0 FCADLP [NH3+]Cc1ncc(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)s1 ZINC001218874239 855489490 /nfs/dbraw/zinc/48/94/90/855489490.db2.gz RASSVHHQPQQRIH-UHFFFAOYSA-N 2 2 361.471 0.968 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)s1 ZINC001218971452 855505530 /nfs/dbraw/zinc/50/55/30/855505530.db2.gz ZNPNFRAHPZOWNA-JKSUJKDBSA-N 2 2 368.503 0.441 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)s1 ZINC001218971452 855505532 /nfs/dbraw/zinc/50/55/32/855505532.db2.gz ZNPNFRAHPZOWNA-JKSUJKDBSA-N 2 2 368.503 0.441 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@@H]21 ZINC001219003103 855509879 /nfs/dbraw/zinc/50/98/79/855509879.db2.gz UGHCBDHQRLSWFX-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)CC)C[C@@H]21 ZINC001219003103 855509883 /nfs/dbraw/zinc/50/98/83/855509883.db2.gz UGHCBDHQRLSWFX-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@@H]21 ZINC001219003103 855509887 /nfs/dbraw/zinc/50/98/87/855509887.db2.gz UGHCBDHQRLSWFX-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@H]21 ZINC001219003103 855509891 /nfs/dbraw/zinc/50/98/91/855509891.db2.gz UGHCBDHQRLSWFX-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219055057 855530295 /nfs/dbraw/zinc/53/02/95/855530295.db2.gz ULCURKHUJZNZIQ-ZNMIVQPWSA-N 2 2 361.433 0.662 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219055057 855530297 /nfs/dbraw/zinc/53/02/97/855530297.db2.gz ULCURKHUJZNZIQ-ZNMIVQPWSA-N 2 2 361.433 0.662 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219055057 855530302 /nfs/dbraw/zinc/53/03/02/855530302.db2.gz ULCURKHUJZNZIQ-ZNMIVQPWSA-N 2 2 361.433 0.662 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219055057 855530307 /nfs/dbraw/zinc/53/03/07/855530307.db2.gz ULCURKHUJZNZIQ-ZNMIVQPWSA-N 2 2 361.433 0.662 20 0 FCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001219190620 855579635 /nfs/dbraw/zinc/57/96/35/855579635.db2.gz UDILLTAEALLFJJ-AWEZNQCLSA-N 3 2 359.396 0.725 20 0 FCADLP COC(=O)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)c1cc(Cl)ccc1N ZINC001219511830 855699359 /nfs/dbraw/zinc/69/93/59/855699359.db2.gz KUJXKDDQTMGWSY-UHFFFAOYSA-N 2 2 354.838 0.899 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694990 855774966 /nfs/dbraw/zinc/77/49/66/855774966.db2.gz PBTKYSVKRKKNLW-AJNGGQMLSA-N 2 2 374.551 0.045 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694990 855774974 /nfs/dbraw/zinc/77/49/74/855774974.db2.gz PBTKYSVKRKKNLW-AJNGGQMLSA-N 2 2 374.551 0.045 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219732150 855790322 /nfs/dbraw/zinc/79/03/22/855790322.db2.gz PACGKEZHGRZBPW-UPJWGTAASA-N 2 2 355.401 0.109 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219732150 855790332 /nfs/dbraw/zinc/79/03/32/855790332.db2.gz PACGKEZHGRZBPW-UPJWGTAASA-N 2 2 355.401 0.109 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](C)C ZINC001219847167 855844143 /nfs/dbraw/zinc/84/41/43/855844143.db2.gz XFIORGSOQOSREZ-ILXRZTDVSA-N 2 2 357.886 0.284 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[NH+](C)C ZINC001219847167 855844149 /nfs/dbraw/zinc/84/41/49/855844149.db2.gz XFIORGSOQOSREZ-ILXRZTDVSA-N 2 2 357.886 0.284 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908966 855875903 /nfs/dbraw/zinc/87/59/03/855875903.db2.gz XWPSZMMUOJAZJO-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001219908966 855875911 /nfs/dbraw/zinc/87/59/11/855875911.db2.gz XWPSZMMUOJAZJO-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908966 855875918 /nfs/dbraw/zinc/87/59/18/855875918.db2.gz XWPSZMMUOJAZJO-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001219908966 855875924 /nfs/dbraw/zinc/87/59/24/855875924.db2.gz XWPSZMMUOJAZJO-XKQJLSEDSA-N 2 2 350.463 0.411 20 0 FCADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939312 855888517 /nfs/dbraw/zinc/88/85/17/855888517.db2.gz ZVWBLWCVZOKICS-HNNXBMFYSA-N 3 2 356.492 0.497 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001220129001 855973921 /nfs/dbraw/zinc/97/39/21/855973921.db2.gz SPFZNPOQPXYPHC-LBPRGKRZSA-N 2 2 360.505 0.445 20 0 FCADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220185251 855998061 /nfs/dbraw/zinc/99/80/61/855998061.db2.gz DIBMGRWFZFDQAX-KGLIPLIRSA-N 2 2 355.385 0.808 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220232102 856023430 /nfs/dbraw/zinc/02/34/30/856023430.db2.gz DHYIIZZUIBLDPD-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220232102 856023433 /nfs/dbraw/zinc/02/34/33/856023433.db2.gz DHYIIZZUIBLDPD-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231021 856023698 /nfs/dbraw/zinc/02/36/98/856023698.db2.gz XAWPXKFNGLHCFX-CABCVRRESA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220231021 856023703 /nfs/dbraw/zinc/02/37/03/856023703.db2.gz XAWPXKFNGLHCFX-CABCVRRESA-N 2 2 350.463 0.549 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220599487 856199900 /nfs/dbraw/zinc/19/99/00/856199900.db2.gz BELHLMWCQXXIDG-MJBXVCDLSA-N 2 2 367.412 0.193 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2O)CC1 ZINC001220599487 856199902 /nfs/dbraw/zinc/19/99/02/856199902.db2.gz BELHLMWCQXXIDG-MJBXVCDLSA-N 2 2 367.412 0.193 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220688895 856241337 /nfs/dbraw/zinc/24/13/37/856241337.db2.gz UUMNRTAPRXEOKE-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220688895 856241348 /nfs/dbraw/zinc/24/13/48/856241348.db2.gz UUMNRTAPRXEOKE-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220688895 856241354 /nfs/dbraw/zinc/24/13/54/856241354.db2.gz UUMNRTAPRXEOKE-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220688895 856241362 /nfs/dbraw/zinc/24/13/62/856241362.db2.gz UUMNRTAPRXEOKE-SJORKVTESA-N 2 2 351.495 0.776 20 0 FCADLP CS(=O)(=O)c1cccc([C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c2ccccc2)c1 ZINC001220700692 856247308 /nfs/dbraw/zinc/24/73/08/856247308.db2.gz MTLSBBIGGJITJT-DLBZAZTESA-N 2 2 361.467 0.972 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220919147 856373977 /nfs/dbraw/zinc/37/39/77/856373977.db2.gz VPJNAWLVNRGKHZ-KKUMJFAQSA-N 2 2 368.275 0.862 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220919147 856373988 /nfs/dbraw/zinc/37/39/88/856373988.db2.gz VPJNAWLVNRGKHZ-KKUMJFAQSA-N 2 2 368.275 0.862 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[NH2+]CCN1 ZINC001220918670 856374208 /nfs/dbraw/zinc/37/42/08/856374208.db2.gz BCCWRJCAYORQMY-LSDHHAIUSA-N 2 2 367.291 0.701 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1)[C@H]1C[NH2+]CCN1 ZINC001220918670 856374211 /nfs/dbraw/zinc/37/42/11/856374211.db2.gz BCCWRJCAYORQMY-LSDHHAIUSA-N 2 2 367.291 0.701 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001220978244 856405167 /nfs/dbraw/zinc/40/51/67/856405167.db2.gz TZZWKYBRMMJAAV-NEPJUHHUSA-N 2 2 371.375 0.161 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC001220978244 856405169 /nfs/dbraw/zinc/40/51/69/856405169.db2.gz TZZWKYBRMMJAAV-NEPJUHHUSA-N 2 2 371.375 0.161 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985708 856407634 /nfs/dbraw/zinc/40/76/34/856407634.db2.gz CBZQYXZVUHDLQW-YUELXQCFSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985708 856407638 /nfs/dbraw/zinc/40/76/38/856407638.db2.gz CBZQYXZVUHDLQW-YUELXQCFSA-N 2 2 368.503 0.081 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001221089808 856455950 /nfs/dbraw/zinc/45/59/50/856455950.db2.gz QMZZNUYYGORKRP-ZACQAIPSSA-N 2 2 369.893 0.875 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001221089808 856455958 /nfs/dbraw/zinc/45/59/58/856455958.db2.gz QMZZNUYYGORKRP-ZACQAIPSSA-N 2 2 369.893 0.875 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001221089808 856455961 /nfs/dbraw/zinc/45/59/61/856455961.db2.gz QMZZNUYYGORKRP-ZACQAIPSSA-N 2 2 369.893 0.875 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1O ZINC001221089808 856455965 /nfs/dbraw/zinc/45/59/65/856455965.db2.gz QMZZNUYYGORKRP-ZACQAIPSSA-N 2 2 369.893 0.875 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091681 856459267 /nfs/dbraw/zinc/45/92/67/856459267.db2.gz UBKUPDPNXIUNRD-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091681 856459271 /nfs/dbraw/zinc/45/92/71/856459271.db2.gz UBKUPDPNXIUNRD-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091681 856459276 /nfs/dbraw/zinc/45/92/76/856459276.db2.gz UBKUPDPNXIUNRD-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091681 856459281 /nfs/dbraw/zinc/45/92/81/856459281.db2.gz UBKUPDPNXIUNRD-CVEARBPZSA-N 2 2 353.438 0.836 20 0 FCADLP CC1(C)CO[C@@H](C[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001221161251 856491322 /nfs/dbraw/zinc/49/13/22/856491322.db2.gz CRFOVVJAGFHMRO-OAGGEKHMSA-N 2 2 350.463 0.640 20 0 FCADLP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001221161251 856491327 /nfs/dbraw/zinc/49/13/27/856491327.db2.gz CRFOVVJAGFHMRO-OAGGEKHMSA-N 2 2 350.463 0.640 20 0 FCADLP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H]([NH3+])CCC[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221260139 856532427 /nfs/dbraw/zinc/53/24/27/856532427.db2.gz IUSKYGPGYFWNBD-PRHODGIISA-N 3 2 364.418 0.343 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221587687 856613213 /nfs/dbraw/zinc/61/32/13/856613213.db2.gz DIUHYGFGTFXGPN-OWCLPIDISA-N 2 2 356.486 0.724 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001221587687 856613214 /nfs/dbraw/zinc/61/32/14/856613214.db2.gz DIUHYGFGTFXGPN-OWCLPIDISA-N 2 2 356.486 0.724 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587853 856613926 /nfs/dbraw/zinc/61/39/26/856613926.db2.gz KVOFDDNKBDZSQX-BZUAXINKSA-N 2 2 356.486 0.725 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587853 856613928 /nfs/dbraw/zinc/61/39/28/856613928.db2.gz KVOFDDNKBDZSQX-BZUAXINKSA-N 2 2 356.486 0.725 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615454 856624341 /nfs/dbraw/zinc/62/43/41/856624341.db2.gz JGPHYENJTWHJGN-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001221615454 856624348 /nfs/dbraw/zinc/62/43/48/856624348.db2.gz JGPHYENJTWHJGN-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615454 856624353 /nfs/dbraw/zinc/62/43/53/856624353.db2.gz JGPHYENJTWHJGN-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001221615454 856624358 /nfs/dbraw/zinc/62/43/58/856624358.db2.gz JGPHYENJTWHJGN-IXDOHACOSA-N 2 2 350.507 0.633 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001221811943 856693562 /nfs/dbraw/zinc/69/35/62/856693562.db2.gz PXXNDAZKTGAPKR-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21)[NH+](CC)CC ZINC001221811943 856693571 /nfs/dbraw/zinc/69/35/71/856693571.db2.gz PXXNDAZKTGAPKR-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813241 856695027 /nfs/dbraw/zinc/69/50/27/856695027.db2.gz CGRPJKMFSGZWFI-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813241 856695037 /nfs/dbraw/zinc/69/50/37/856695037.db2.gz CGRPJKMFSGZWFI-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813241 856695043 /nfs/dbraw/zinc/69/50/43/856695043.db2.gz CGRPJKMFSGZWFI-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221813241 856695050 /nfs/dbraw/zinc/69/50/50/856695050.db2.gz CGRPJKMFSGZWFI-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001221816539 856697342 /nfs/dbraw/zinc/69/73/42/856697342.db2.gz ZZSXAZYUTMJTCL-HYVNUMGLSA-N 2 2 350.507 0.870 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(CC)C3CC3)C[C@H]21)[NH+](C)C ZINC001221816539 856697345 /nfs/dbraw/zinc/69/73/45/856697345.db2.gz ZZSXAZYUTMJTCL-HYVNUMGLSA-N 2 2 350.507 0.870 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221878162 856719669 /nfs/dbraw/zinc/71/96/69/856719669.db2.gz DWXPSMZUZVDEPW-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001221878162 856719672 /nfs/dbraw/zinc/71/96/72/856719672.db2.gz DWXPSMZUZVDEPW-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001222049987 856784286 /nfs/dbraw/zinc/78/42/86/856784286.db2.gz QEUWXMSVWQBPJK-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001222049987 856784293 /nfs/dbraw/zinc/78/42/93/856784293.db2.gz QEUWXMSVWQBPJK-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001222049987 856784298 /nfs/dbraw/zinc/78/42/98/856784298.db2.gz QEUWXMSVWQBPJK-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001222049987 856784302 /nfs/dbraw/zinc/78/43/02/856784302.db2.gz QEUWXMSVWQBPJK-NVXWUHKLSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)s2)CC1 ZINC001222091070 856799075 /nfs/dbraw/zinc/79/90/75/856799075.db2.gz OGZUMFPYDQKRKG-UHFFFAOYSA-N 3 2 350.536 0.422 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)s2)CC1 ZINC001222091070 856799081 /nfs/dbraw/zinc/79/90/81/856799081.db2.gz OGZUMFPYDQKRKG-UHFFFAOYSA-N 3 2 350.536 0.422 20 0 FCADLP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4nccs4)CC3)[C@@H]2C1 ZINC001279350122 862839760 /nfs/dbraw/zinc/83/97/60/862839760.db2.gz ONOFTMRPVOICHC-HUUCEWRRSA-N 2 2 363.531 0.717 20 0 FCADLP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4nccs4)CC3)[C@@H]2C1 ZINC001279350122 862839773 /nfs/dbraw/zinc/83/97/73/862839773.db2.gz ONOFTMRPVOICHC-HUUCEWRRSA-N 2 2 363.531 0.717 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)CS(C)(=O)=O ZINC001223572726 856927489 /nfs/dbraw/zinc/92/74/89/856927489.db2.gz QJHBNTSHTGHSIJ-FMKPAKJESA-N 2 2 368.503 0.556 20 0 FCADLP C[C@H](C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)CS(C)(=O)=O ZINC001223572726 856927497 /nfs/dbraw/zinc/92/74/97/856927497.db2.gz QJHBNTSHTGHSIJ-FMKPAKJESA-N 2 2 368.503 0.556 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961148 857073892 /nfs/dbraw/zinc/07/38/92/857073892.db2.gz LUUXTDQTIFJAAM-ZIAGYGMSSA-N 2 2 356.492 0.794 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128739 857144684 /nfs/dbraw/zinc/14/46/84/857144684.db2.gz XSNURZQRUZKHBU-DJIMGWMZSA-N 2 2 350.463 0.471 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529939 857214498 /nfs/dbraw/zinc/21/44/98/857214498.db2.gz ZPDZAHQAZZFGDY-RRFJBIMHSA-N 2 2 350.463 0.856 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)n1cc[nH+]c1 ZINC001228851713 857232215 /nfs/dbraw/zinc/23/22/15/857232215.db2.gz BCJQFBUIJGHNLI-JHJVBQTASA-N 2 2 350.423 0.046 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csnn1 ZINC001229141674 857252818 /nfs/dbraw/zinc/25/28/18/857252818.db2.gz HNXVIPDXXQNNJV-HUUCEWRRSA-N 2 2 353.492 0.777 20 0 FCADLP COCCOCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001229262846 857261250 /nfs/dbraw/zinc/26/12/50/857261250.db2.gz XUMXXWCBTWOLNZ-HZPDHXFCSA-N 2 2 350.463 0.767 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)Nc1nncs1 ZINC001229300933 857264557 /nfs/dbraw/zinc/26/45/57/857264557.db2.gz FRFOFKSSJALRSQ-GHMZBOCLSA-N 2 2 363.447 0.459 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C)CS(C)(=O)=O ZINC001229692837 857281862 /nfs/dbraw/zinc/28/18/62/857281862.db2.gz KPMZSZYPBYOBQM-NUEKZKHPSA-N 2 2 370.519 0.660 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(F)ccn3)CC[C@@H]2C1 ZINC001232494100 857372919 /nfs/dbraw/zinc/37/29/19/857372919.db2.gz NYMIJHMEKFEBMW-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(F)ccn3)CC[C@@H]2C1 ZINC001232494100 857372924 /nfs/dbraw/zinc/37/29/24/857372924.db2.gz NYMIJHMEKFEBMW-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(F)ccn3)CC[C@@H]2C1 ZINC001232494100 857372930 /nfs/dbraw/zinc/37/29/30/857372930.db2.gz NYMIJHMEKFEBMW-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(F)ccn3)CC[C@@H]2C1 ZINC001232494100 857372935 /nfs/dbraw/zinc/37/29/35/857372935.db2.gz NYMIJHMEKFEBMW-RHSMWYFYSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)N[C@H]1COCCC12CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235555598 857427149 /nfs/dbraw/zinc/42/71/49/857427149.db2.gz UUYWEZYJVQAUID-GJZGRUSLSA-N 2 2 354.495 0.853 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOCC(F)(F)F)O1 ZINC001235799068 857432571 /nfs/dbraw/zinc/43/25/71/857432571.db2.gz VKESCAVWYPRABH-HZSPNIEDSA-N 2 2 367.412 0.817 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOCC(F)(F)F)O1 ZINC001235799068 857432577 /nfs/dbraw/zinc/43/25/77/857432577.db2.gz VKESCAVWYPRABH-HZSPNIEDSA-N 2 2 367.412 0.817 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOCC(F)(F)F)O1 ZINC001235799068 857432585 /nfs/dbraw/zinc/43/25/85/857432585.db2.gz VKESCAVWYPRABH-HZSPNIEDSA-N 2 2 367.412 0.817 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCOCC(F)(F)F)O1 ZINC001235799068 857432590 /nfs/dbraw/zinc/43/25/90/857432590.db2.gz VKESCAVWYPRABH-HZSPNIEDSA-N 2 2 367.412 0.817 20 0 FCADLP COc1ccc(CC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001236309916 857437761 /nfs/dbraw/zinc/43/77/61/857437761.db2.gz PMHLVDGRRGDICJ-UHFFFAOYSA-N 3 2 352.479 0.362 20 0 FCADLP COc1ccc(CC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1OC ZINC001236309916 857437768 /nfs/dbraw/zinc/43/77/68/857437768.db2.gz PMHLVDGRRGDICJ-UHFFFAOYSA-N 3 2 352.479 0.362 20 0 FCADLP [NH3+][C@@H]1NC(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385761 857440891 /nfs/dbraw/zinc/44/08/91/857440891.db2.gz FZGFSKRVWRAMEY-QGZVFWFLSA-N 3 2 355.552 0.430 20 0 FCADLP [NH3+][C@@H]1NC(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385761 857440898 /nfs/dbraw/zinc/44/08/98/857440898.db2.gz FZGFSKRVWRAMEY-QGZVFWFLSA-N 3 2 355.552 0.430 20 0 FCADLP CN(C)C(=O)CN1[C@H]2COC[C@@H]1C[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001279491029 862912859 /nfs/dbraw/zinc/91/28/59/862912859.db2.gz ARARKGCNULFJQV-CALCHBBNSA-N 2 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)CN1[C@H]2COC[C@@H]1C[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001279491029 862912865 /nfs/dbraw/zinc/91/28/65/862912865.db2.gz ARARKGCNULFJQV-CALCHBBNSA-N 2 2 352.523 0.582 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001238838169 857482652 /nfs/dbraw/zinc/48/26/52/857482652.db2.gz FWAICJIRKMCWLB-UHFFFAOYSA-N 2 2 357.661 0.324 20 0 FCADLP [NH3+]CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001239083889 857511679 /nfs/dbraw/zinc/51/16/79/857511679.db2.gz NUZMAXLZCAGMMB-CYBMUJFWSA-N 2 2 351.432 0.077 20 0 FCADLP O=C([C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)C[NH2+]1)N1CCSC1 ZINC001246143199 857569557 /nfs/dbraw/zinc/56/95/57/857569557.db2.gz UVFVBBLGMXJLQP-VYDXJSESSA-N 3 2 363.531 0.451 20 0 FCADLP C[C@H]1CC[C@@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698618 857591018 /nfs/dbraw/zinc/59/10/18/857591018.db2.gz CCVUWHBNJQUHPF-ATIFRJIPSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@H]1CC[C@@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698618 857591010 /nfs/dbraw/zinc/59/10/10/857591010.db2.gz CCVUWHBNJQUHPF-ATIFRJIPSA-N 2 2 351.491 0.998 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740857 857595309 /nfs/dbraw/zinc/59/53/09/857595309.db2.gz HXRJRSUQPCJFIY-CBBWQLFWSA-N 2 2 350.488 0.943 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740857 857595319 /nfs/dbraw/zinc/59/53/19/857595319.db2.gz HXRJRSUQPCJFIY-CBBWQLFWSA-N 2 2 350.488 0.943 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740858 857595855 /nfs/dbraw/zinc/59/58/55/857595855.db2.gz HXRJRSUQPCJFIY-QPSCCSFWSA-N 2 2 350.488 0.943 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740858 857595861 /nfs/dbraw/zinc/59/58/61/857595861.db2.gz HXRJRSUQPCJFIY-QPSCCSFWSA-N 2 2 350.488 0.943 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246926419 857606730 /nfs/dbraw/zinc/60/67/30/857606730.db2.gz SOSOSGYJQPXCLD-HNNXBMFYSA-N 3 2 354.445 0.938 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246926419 857606733 /nfs/dbraw/zinc/60/67/33/857606733.db2.gz SOSOSGYJQPXCLD-HNNXBMFYSA-N 3 2 354.445 0.938 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])NC[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251340495 857717763 /nfs/dbraw/zinc/71/77/63/857717763.db2.gz ZAOMGJAXNKYJOA-KRWDZBQOSA-N 2 2 355.483 0.520 20 0 FCADLP CCOC[C@@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252026806 857778066 /nfs/dbraw/zinc/77/80/66/857778066.db2.gz OSFWJIIGMKPIDZ-INIZCTEOSA-N 2 2 350.463 0.442 20 0 FCADLP CCOC[C@@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252026806 857778073 /nfs/dbraw/zinc/77/80/73/857778073.db2.gz OSFWJIIGMKPIDZ-INIZCTEOSA-N 2 2 350.463 0.442 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@H+](CC(C)(C)O)C2 ZINC001252351395 857795785 /nfs/dbraw/zinc/79/57/85/857795785.db2.gz HHXYORBXYUYDKA-HNNXBMFYSA-N 2 2 352.479 0.439 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@@H+](CC(C)(C)O)C2 ZINC001252351395 857795787 /nfs/dbraw/zinc/79/57/87/857795787.db2.gz HHXYORBXYUYDKA-HNNXBMFYSA-N 2 2 352.479 0.439 20 0 FCADLP COCCc1ccc(OC[C@@H](O)C[NH2+]C2(CO)CC[NH+](C)CC2)cc1 ZINC001253077948 857858114 /nfs/dbraw/zinc/85/81/14/857858114.db2.gz BIWWHSLSDBIMHP-KRWDZBQOSA-N 2 2 352.475 0.662 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185529 857870273 /nfs/dbraw/zinc/87/02/73/857870273.db2.gz GXPAXAHQIDSQEF-IRXDYDNUSA-N 2 2 361.552 0.969 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185529 857870275 /nfs/dbraw/zinc/87/02/75/857870275.db2.gz GXPAXAHQIDSQEF-IRXDYDNUSA-N 2 2 361.552 0.969 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001253795309 857913254 /nfs/dbraw/zinc/91/32/54/857913254.db2.gz NXJIYFMRQMRMDC-FUHWJXTLSA-N 2 2 358.479 0.361 20 0 FCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001253795309 857913257 /nfs/dbraw/zinc/91/32/57/857913257.db2.gz NXJIYFMRQMRMDC-FUHWJXTLSA-N 2 2 358.479 0.361 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253795309 857913262 /nfs/dbraw/zinc/91/32/62/857913262.db2.gz NXJIYFMRQMRMDC-FUHWJXTLSA-N 2 2 358.479 0.361 20 0 FCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253795309 857913263 /nfs/dbraw/zinc/91/32/63/857913263.db2.gz NXJIYFMRQMRMDC-FUHWJXTLSA-N 2 2 358.479 0.361 20 0 FCADLP CC(C)Oc1ccccc1OC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001254017927 857933703 /nfs/dbraw/zinc/93/37/03/857933703.db2.gz CBRAVRQYSDRZCZ-HNNXBMFYSA-N 2 2 350.463 0.985 20 0 FCADLP C[N@H+](C1CCOCC1)C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257240475 858131965 /nfs/dbraw/zinc/13/19/65/858131965.db2.gz WGDGDBJABUELHO-UHFFFAOYSA-N 2 2 359.536 0.986 20 0 FCADLP C[N@@H+](C1CCOCC1)C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257240475 858131968 /nfs/dbraw/zinc/13/19/68/858131968.db2.gz WGDGDBJABUELHO-UHFFFAOYSA-N 2 2 359.536 0.986 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)nc1OC ZINC001279676574 863005346 /nfs/dbraw/zinc/00/53/46/863005346.db2.gz HQURLLBPJXRHKE-WBVHZDCISA-N 2 2 350.463 0.545 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)nc1OC ZINC001279676574 863005365 /nfs/dbraw/zinc/00/53/65/863005365.db2.gz HQURLLBPJXRHKE-WBVHZDCISA-N 2 2 350.463 0.545 20 0 FCADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001270175986 859677278 /nfs/dbraw/zinc/67/72/78/859677278.db2.gz RAXWJWMFANPHEM-OKZBNKHCSA-N 2 2 355.523 0.775 20 0 FCADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001270175986 859677283 /nfs/dbraw/zinc/67/72/83/859677283.db2.gz RAXWJWMFANPHEM-OKZBNKHCSA-N 2 2 355.523 0.775 20 0 FCADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001270175611 859677456 /nfs/dbraw/zinc/67/74/56/859677456.db2.gz IETHOZKURDIREM-KBPBESRZSA-N 2 2 367.412 0.291 20 0 FCADLP O=C(C[NH+](CCO)CCO)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001270175611 859677460 /nfs/dbraw/zinc/67/74/60/859677460.db2.gz IETHOZKURDIREM-KBPBESRZSA-N 2 2 367.412 0.291 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273218298 860412516 /nfs/dbraw/zinc/41/25/16/860412516.db2.gz SPPKEEKAKKHBJN-BBWFWOEESA-N 2 2 355.479 0.108 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@H]2CC1 ZINC001273218298 860412523 /nfs/dbraw/zinc/41/25/23/860412523.db2.gz SPPKEEKAKKHBJN-BBWFWOEESA-N 2 2 355.479 0.108 20 0 FCADLP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2CC1 ZINC001273218298 860412526 /nfs/dbraw/zinc/41/25/26/860412526.db2.gz SPPKEEKAKKHBJN-BBWFWOEESA-N 2 2 355.479 0.108 20 0 FCADLP COCCOC[NH+]1CC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2CC1 ZINC001273218298 860412535 /nfs/dbraw/zinc/41/25/35/860412535.db2.gz SPPKEEKAKKHBJN-BBWFWOEESA-N 2 2 355.479 0.108 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218893 860412619 /nfs/dbraw/zinc/41/26/19/860412619.db2.gz YMPTUGDZZSXSSM-MJGOQNOKSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218893 860412624 /nfs/dbraw/zinc/41/26/24/860412624.db2.gz YMPTUGDZZSXSSM-MJGOQNOKSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)C1 ZINC001273218893 860412630 /nfs/dbraw/zinc/41/26/30/860412630.db2.gz YMPTUGDZZSXSSM-MJGOQNOKSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)C1 ZINC001273218893 860412637 /nfs/dbraw/zinc/41/26/37/860412637.db2.gz YMPTUGDZZSXSSM-MJGOQNOKSA-N 2 2 351.491 0.953 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273510655 860512517 /nfs/dbraw/zinc/51/25/17/860512517.db2.gz HFZFRFSTKWSXHV-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273510655 860512528 /nfs/dbraw/zinc/51/25/28/860512528.db2.gz HFZFRFSTKWSXHV-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001273510655 860512540 /nfs/dbraw/zinc/51/25/40/860512540.db2.gz HFZFRFSTKWSXHV-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001273510655 860512548 /nfs/dbraw/zinc/51/25/48/860512548.db2.gz HFZFRFSTKWSXHV-KFWWJZLASA-N 2 2 350.488 0.815 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001274396320 860742292 /nfs/dbraw/zinc/74/22/92/860742292.db2.gz DLZMLAXVTDZZFR-INIZCTEOSA-N 2 2 350.507 0.729 20 0 FCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2CCCC3(C[NH+](CC(=O)N(C)C)C3)C2)C1 ZINC001274396320 860742295 /nfs/dbraw/zinc/74/22/95/860742295.db2.gz DLZMLAXVTDZZFR-INIZCTEOSA-N 2 2 350.507 0.729 20 0 FCADLP CC[C@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275068595 860928373 /nfs/dbraw/zinc/92/83/73/860928373.db2.gz ITAAQTBANHRWJG-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP C[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)Cn2cc(Cl)cn2)CC1 ZINC001280070373 863239600 /nfs/dbraw/zinc/23/96/00/863239600.db2.gz TVIPTLFJPKXQQF-CVEARBPZSA-N 2 2 367.881 0.542 20 0 FCADLP C[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)Cn2cc(Cl)cn2)CC1 ZINC001280070373 863239613 /nfs/dbraw/zinc/23/96/13/863239613.db2.gz TVIPTLFJPKXQQF-CVEARBPZSA-N 2 2 367.881 0.542 20 0 FCADLP CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001280074646 863246751 /nfs/dbraw/zinc/24/67/51/863246751.db2.gz NJOZWSGINGUAPL-MQVJKMGUSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001280074646 863246760 /nfs/dbraw/zinc/24/67/60/863246760.db2.gz NJOZWSGINGUAPL-MQVJKMGUSA-N 2 2 351.495 0.463 20 0 FCADLP CCOC(=O)C[N@@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280130771 863280593 /nfs/dbraw/zinc/28/05/93/863280593.db2.gz LFMFZDHUBCOPHH-KBMXLJTQSA-N 2 2 353.463 0.239 20 0 FCADLP CCOC(=O)C[N@H+]1C[C@H]2C[C@@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280130771 863280609 /nfs/dbraw/zinc/28/06/09/863280609.db2.gz LFMFZDHUBCOPHH-KBMXLJTQSA-N 2 2 353.463 0.239 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001289499552 865100866 /nfs/dbraw/zinc/10/08/66/865100866.db2.gz JGFBCMFTQFZQIR-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001289499552 865100874 /nfs/dbraw/zinc/10/08/74/865100874.db2.gz JGFBCMFTQFZQIR-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC001349420789 866336375 /nfs/dbraw/zinc/33/63/75/866336375.db2.gz OQIIFSPNZLTQRI-CQSZACIVSA-N 2 2 368.503 0.368 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC001349643916 866401872 /nfs/dbraw/zinc/40/18/72/866401872.db2.gz JAVUYJNSDADBCW-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814912 866697423 /nfs/dbraw/zinc/69/74/23/866697423.db2.gz MZLWXSBDCWOMFW-IKGGRYGDSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814912 866697429 /nfs/dbraw/zinc/69/74/29/866697429.db2.gz MZLWXSBDCWOMFW-IKGGRYGDSA-N 2 2 355.527 0.277 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001318439971 867666934 /nfs/dbraw/zinc/66/69/34/867666934.db2.gz QHXJVQLRZDAHTE-JKSUJKDBSA-N 2 2 374.551 0.667 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001318895074 867771999 /nfs/dbraw/zinc/77/19/99/867771999.db2.gz TXVYZMXVPKVSOX-HIFRSBDPSA-N 2 2 360.524 0.277 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001318895074 867772003 /nfs/dbraw/zinc/77/20/03/867772003.db2.gz TXVYZMXVPKVSOX-HIFRSBDPSA-N 2 2 360.524 0.277 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001319772985 867997116 /nfs/dbraw/zinc/99/71/16/867997116.db2.gz RKQPVWVAJWJLKS-GJZGRUSLSA-N 2 2 356.492 0.802 20 0 FCADLP CC(C)(CNC(=O)N1CC[NH2+]CCC12CCOCC2)[NH+]1CCOCC1 ZINC001356535289 868019608 /nfs/dbraw/zinc/01/96/08/868019608.db2.gz TZCKDMBRFYQERC-UHFFFAOYSA-N 2 2 354.495 0.651 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001357209251 868087205 /nfs/dbraw/zinc/08/72/05/868087205.db2.gz FWNGDRRUMJVNPK-KSZLIROESA-N 3 2 354.539 0.610 20 0 FCADLP C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322802799 868951600 /nfs/dbraw/zinc/95/16/00/868951600.db2.gz RERAXFHPTPQDEZ-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322802799 868951601 /nfs/dbraw/zinc/95/16/01/868951601.db2.gz RERAXFHPTPQDEZ-HYVNUMGLSA-N 2 2 350.507 0.918 20 0 FCADLP COC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323664974 869300135 /nfs/dbraw/zinc/30/01/35/869300135.db2.gz PVUQIYOBABXGKH-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP COC(C)(C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323664974 869300139 /nfs/dbraw/zinc/30/01/39/869300139.db2.gz PVUQIYOBABXGKH-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]1C1CC1 ZINC001324891357 869707140 /nfs/dbraw/zinc/70/71/40/869707140.db2.gz YPVFEBLVMTUPCP-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]1C1CC1 ZINC001324891357 869707146 /nfs/dbraw/zinc/70/71/46/869707146.db2.gz YPVFEBLVMTUPCP-KRWDZBQOSA-N 2 2 350.507 0.872 20 0 FCADLP CN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326623160 870416956 /nfs/dbraw/zinc/41/69/56/870416956.db2.gz IVCZZWWEGSFPSM-HNNXBMFYSA-N 2 2 364.515 0.991 20 0 FCADLP CN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326623160 870416962 /nfs/dbraw/zinc/41/69/62/870416962.db2.gz IVCZZWWEGSFPSM-HNNXBMFYSA-N 2 2 364.515 0.991 20 0 FCADLP Cc1ncsc1CCS(=O)(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001345944509 871572365 /nfs/dbraw/zinc/57/23/65/871572365.db2.gz NXFJUVRXJKYIKR-AWEZNQCLSA-N 2 2 358.533 0.821 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346290926 871753086 /nfs/dbraw/zinc/75/30/86/871753086.db2.gz DMMIQDNZHLGGMV-JYJNAYRXSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001346290926 871753104 /nfs/dbraw/zinc/75/31/04/871753104.db2.gz DMMIQDNZHLGGMV-JYJNAYRXSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001329221412 871898924 /nfs/dbraw/zinc/89/89/24/871898924.db2.gz FBDCYNTVCKVVLL-KGYLQXTDSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001329221412 871898943 /nfs/dbraw/zinc/89/89/43/871898943.db2.gz FBDCYNTVCKVVLL-KGYLQXTDSA-N 2 2 364.412 0.558 20 0 FCADLP COc1ccc([C@H](CCO)NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001346569524 871910023 /nfs/dbraw/zinc/91/00/23/871910023.db2.gz JTOQMRYCEVBTDK-KRWDZBQOSA-N 2 2 350.463 0.841 20 0 FCADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC001331848329 873272634 /nfs/dbraw/zinc/27/26/34/873272634.db2.gz YKOPBSPINVNLJY-HOTGVXAUSA-N 2 2 362.455 0.517 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001332301586 873445538 /nfs/dbraw/zinc/44/55/38/873445538.db2.gz GIAJXTXLTYZTCV-UHFFFAOYSA-N 2 2 365.503 0.367 20 0 FCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920190 948891638 /nfs/dbraw/zinc/89/16/38/948891638.db2.gz FOGDNULFDICXDD-LLVKDONJSA-N 2 2 374.474 0.889 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574923247 948941642 /nfs/dbraw/zinc/94/16/42/948941642.db2.gz IFSNTUCOVRQLPP-CYBMUJFWSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574923880 948958329 /nfs/dbraw/zinc/95/83/29/948958329.db2.gz SYTBVBFDIPVGSP-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574924260 948968036 /nfs/dbraw/zinc/96/80/36/948968036.db2.gz XVBCTGRFOXSLSU-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001575276737 949725122 /nfs/dbraw/zinc/72/51/22/949725122.db2.gz KVXWNAIDXQHONJ-NEPJUHHUSA-N 2 2 369.433 0.355 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574480277 949750260 /nfs/dbraw/zinc/75/02/60/949750260.db2.gz IEEIGRWCPBPQOT-QWHCGFSZSA-N 2 2 367.417 0.544 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574728584 949995424 /nfs/dbraw/zinc/99/54/24/949995424.db2.gz DPAJWONRIZVHSS-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574729560 950020096 /nfs/dbraw/zinc/02/00/96/950020096.db2.gz OGXAOLNHMDPHIY-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574731956 950057084 /nfs/dbraw/zinc/05/70/84/950057084.db2.gz YSYYXJHJDSVZBT-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576192662 950257193 /nfs/dbraw/zinc/25/71/93/950257193.db2.gz ONLIWXRRXHSSNX-CQSZACIVSA-N 2 2 372.477 0.674 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907938 950348107 /nfs/dbraw/zinc/34/81/07/950348107.db2.gz RLOSOGXVPCZNAJ-MFKMUULPSA-N 2 2 372.458 0.973 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576202540 950428766 /nfs/dbraw/zinc/42/87/66/950428766.db2.gz APIDZQWQUQQNTB-CQSZACIVSA-N 2 2 372.477 0.935 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576204042 950453628 /nfs/dbraw/zinc/45/36/28/950453628.db2.gz KEMRFEBBCLIUAK-ZIAGYGMSSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576204516 950463839 /nfs/dbraw/zinc/46/38/39/950463839.db2.gz PTJFKKKSDUYRFL-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576204516 950463854 /nfs/dbraw/zinc/46/38/54/950463854.db2.gz PTJFKKKSDUYRFL-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576204515 950464059 /nfs/dbraw/zinc/46/40/59/950464059.db2.gz PTJFKKKSDUYRFL-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001576204515 950464075 /nfs/dbraw/zinc/46/40/75/950464075.db2.gz PTJFKKKSDUYRFL-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574509180 950498740 /nfs/dbraw/zinc/49/87/40/950498740.db2.gz RSNANQWXIVBCOQ-RYUDHWBXSA-N 2 2 355.406 0.448 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205435 950520998 /nfs/dbraw/zinc/52/09/98/950520998.db2.gz IYAQSBGRCMNIHE-GDBMZVCRSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205435 950521013 /nfs/dbraw/zinc/52/10/13/950521013.db2.gz IYAQSBGRCMNIHE-GDBMZVCRSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205435 950521018 /nfs/dbraw/zinc/52/10/18/950521018.db2.gz IYAQSBGRCMNIHE-GDBMZVCRSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205435 950521033 /nfs/dbraw/zinc/52/10/33/950521033.db2.gz IYAQSBGRCMNIHE-GDBMZVCRSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574513514 950608504 /nfs/dbraw/zinc/60/85/04/950608504.db2.gz RSNANQWXIVBCOQ-NEPJUHHUSA-N 2 2 355.406 0.448 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001570993583 950948684 /nfs/dbraw/zinc/94/86/84/950948684.db2.gz KAIIYLUJQSSEDL-UHFFFAOYSA-N 2 2 358.450 0.360 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2nn[nH]n2)ccn1 ZINC001570993583 950948702 /nfs/dbraw/zinc/94/87/02/950948702.db2.gz KAIIYLUJQSSEDL-UHFFFAOYSA-N 2 2 358.450 0.360 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571015997 951310073 /nfs/dbraw/zinc/31/00/73/951310073.db2.gz BDGITBDBZCXZLT-STQMWFEESA-N 2 2 365.401 0.338 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026224 951474720 /nfs/dbraw/zinc/47/47/20/951474720.db2.gz VZVSRYJPTFELCX-CQSZACIVSA-N 2 2 366.429 0.831 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026224 951474727 /nfs/dbraw/zinc/47/47/27/951474727.db2.gz VZVSRYJPTFELCX-CQSZACIVSA-N 2 2 366.429 0.831 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575078875 951686292 /nfs/dbraw/zinc/68/62/92/951686292.db2.gz NRAZOUQVMGPFCQ-GFCCVEGCSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079943 951700674 /nfs/dbraw/zinc/70/06/74/951700674.db2.gz TZDRTFQALHWONF-NSHDSACASA-N 2 2 372.408 0.814 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571078872 952134733 /nfs/dbraw/zinc/13/47/33/952134733.db2.gz VYXDTSJTKBXSSH-HUUCEWRRSA-N 2 2 370.461 0.427 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571078872 952134739 /nfs/dbraw/zinc/13/47/39/952134739.db2.gz VYXDTSJTKBXSSH-HUUCEWRRSA-N 2 2 370.461 0.427 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000292958101 214134332 /nfs/dbraw/zinc/13/43/32/214134332.db2.gz HKCQQVFRDVVVSX-OAHLLOKOSA-N 2 2 363.462 0.832 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000292958101 214134335 /nfs/dbraw/zinc/13/43/35/214134335.db2.gz HKCQQVFRDVVVSX-OAHLLOKOSA-N 2 2 363.462 0.832 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000293134182 214149692 /nfs/dbraw/zinc/14/96/92/214149692.db2.gz GAJVKFADVMGLAP-GOSISDBHSA-N 2 2 354.414 0.760 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000293134182 214149694 /nfs/dbraw/zinc/14/96/94/214149694.db2.gz GAJVKFADVMGLAP-GOSISDBHSA-N 2 2 354.414 0.760 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293289564 214161447 /nfs/dbraw/zinc/16/14/47/214161447.db2.gz FYSCCKSEYKPZFM-ZIAGYGMSSA-N 2 2 359.430 0.807 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293289549 214161584 /nfs/dbraw/zinc/16/15/84/214161584.db2.gz FYSCCKSEYKPZFM-KGLIPLIRSA-N 2 2 359.430 0.807 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CN1CC[NH+]1CCOCC1 ZINC000293645766 214190097 /nfs/dbraw/zinc/19/00/97/214190097.db2.gz OHBRRGZCZAPLKY-OAHLLOKOSA-N 2 2 374.441 0.040 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000294124873 214224364 /nfs/dbraw/zinc/22/43/64/214224364.db2.gz KYIVEQSYSBVDPN-CQSZACIVSA-N 2 2 359.430 0.760 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000295215744 214285335 /nfs/dbraw/zinc/28/53/35/214285335.db2.gz QMULGTBCHHQXJR-YJBOKZPZSA-N 2 2 360.458 0.044 20 0 FCADLP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000295429309 214296760 /nfs/dbraw/zinc/29/67/60/214296760.db2.gz QAENEKWIOAORJW-FHWLQOOXSA-N 2 2 359.470 0.819 20 0 FCADLP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000295429309 214296764 /nfs/dbraw/zinc/29/67/64/214296764.db2.gz QAENEKWIOAORJW-FHWLQOOXSA-N 2 2 359.470 0.819 20 0 FCADLP CC[C@@]1(CO)CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410716467 529555700 /nfs/dbraw/zinc/55/57/00/529555700.db2.gz HMSCQPDNGGOWBS-IBGZPJMESA-N 2 2 368.522 0.234 20 0 FCADLP CC[C@@]1(CO)CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410716467 529555703 /nfs/dbraw/zinc/55/57/03/529555703.db2.gz HMSCQPDNGGOWBS-IBGZPJMESA-N 2 2 368.522 0.234 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CN1CC[NH+]1CCOCC1 ZINC000265826506 210230056 /nfs/dbraw/zinc/23/00/56/210230056.db2.gz ARPXJQGPWQGTNX-INIZCTEOSA-N 2 2 361.442 0.481 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410847472 529696861 /nfs/dbraw/zinc/69/68/61/529696861.db2.gz LFQXTIUUOKZOJE-HOTGVXAUSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000410847472 529696863 /nfs/dbraw/zinc/69/68/63/529696863.db2.gz LFQXTIUUOKZOJE-HOTGVXAUSA-N 2 2 368.522 0.233 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000265691935 210197927 /nfs/dbraw/zinc/19/79/27/210197927.db2.gz WLFYGSGYDAWYLL-SFHVURJKSA-N 2 2 374.485 0.411 20 0 FCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)C1 ZINC000410794525 529810603 /nfs/dbraw/zinc/81/06/03/529810603.db2.gz TZWBZWLOXIGXFW-APWZRJJASA-N 2 2 358.442 0.616 20 0 FCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2)C1 ZINC000410794525 529810604 /nfs/dbraw/zinc/81/06/04/529810604.db2.gz TZWBZWLOXIGXFW-APWZRJJASA-N 2 2 358.442 0.616 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000265526237 210158501 /nfs/dbraw/zinc/15/85/01/210158501.db2.gz IRPVEJIAZMUBDB-HNNXBMFYSA-N 2 2 362.478 0.913 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000265526237 210158505 /nfs/dbraw/zinc/15/85/05/210158505.db2.gz IRPVEJIAZMUBDB-HNNXBMFYSA-N 2 2 362.478 0.913 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000265401633 210122723 /nfs/dbraw/zinc/12/27/23/210122723.db2.gz POCFIJWPOHSTHK-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000265401633 210122730 /nfs/dbraw/zinc/12/27/30/210122730.db2.gz POCFIJWPOHSTHK-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2)CC1 ZINC000265401633 210122738 /nfs/dbraw/zinc/12/27/38/210122738.db2.gz POCFIJWPOHSTHK-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)c2)CC1 ZINC000265401633 210122743 /nfs/dbraw/zinc/12/27/43/210122743.db2.gz POCFIJWPOHSTHK-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000331529128 215010594 /nfs/dbraw/zinc/01/05/94/215010594.db2.gz GSCAIPOHADRUTI-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000331529128 215010598 /nfs/dbraw/zinc/01/05/98/215010598.db2.gz GSCAIPOHADRUTI-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000331572127 215017532 /nfs/dbraw/zinc/01/75/32/215017532.db2.gz LSZXODZTWPWTNX-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000331572127 215017533 /nfs/dbraw/zinc/01/75/33/215017533.db2.gz LSZXODZTWPWTNX-HOTGVXAUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000331591741 215019359 /nfs/dbraw/zinc/01/93/59/215019359.db2.gz HDPICVNWLPMUCV-BRWVUGGUSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@@H+]1C ZINC000331611996 215022789 /nfs/dbraw/zinc/02/27/89/215022789.db2.gz KCIMGJFUTFRUEK-HZPDHXFCSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[N@H+]1C ZINC000331611996 215022792 /nfs/dbraw/zinc/02/27/92/215022792.db2.gz KCIMGJFUTFRUEK-HZPDHXFCSA-N 2 2 351.495 0.419 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000331659289 215030024 /nfs/dbraw/zinc/03/00/24/215030024.db2.gz XXCMJSVXNHDICB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000331659289 215030026 /nfs/dbraw/zinc/03/00/26/215030026.db2.gz XXCMJSVXNHDICB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331659289 215030028 /nfs/dbraw/zinc/03/00/28/215030028.db2.gz XXCMJSVXNHDICB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331659289 215030030 /nfs/dbraw/zinc/03/00/30/215030030.db2.gz XXCMJSVXNHDICB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CN(C)c1[nH+]cc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C ZINC000331670796 215030928 /nfs/dbraw/zinc/03/09/28/215030928.db2.gz OFTVTZWFIROHCI-UHFFFAOYSA-N 2 2 359.478 0.862 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000331765576 215043997 /nfs/dbraw/zinc/04/39/97/215043997.db2.gz CQTQQBXSCINMIX-JZXOWHBKSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000331765576 215043998 /nfs/dbraw/zinc/04/39/98/215043998.db2.gz CQTQQBXSCINMIX-JZXOWHBKSA-N 2 2 358.486 0.581 20 0 FCADLP CC[C@@H]1COCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332033261 215081216 /nfs/dbraw/zinc/08/12/16/215081216.db2.gz HXYDREMCMNKIQH-MRXNPFEDSA-N 2 2 366.506 0.299 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264975237 210030026 /nfs/dbraw/zinc/03/00/26/210030026.db2.gz ZCLOKTOTNDDJBH-LJQANCHMSA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264975237 210030033 /nfs/dbraw/zinc/03/00/33/210030033.db2.gz ZCLOKTOTNDDJBH-LJQANCHMSA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC000264975237 210030039 /nfs/dbraw/zinc/03/00/39/210030039.db2.gz ZCLOKTOTNDDJBH-LJQANCHMSA-N 2 2 359.518 0.410 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC000264975237 210030044 /nfs/dbraw/zinc/03/00/44/210030044.db2.gz ZCLOKTOTNDDJBH-LJQANCHMSA-N 2 2 359.518 0.410 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000264901804 210010327 /nfs/dbraw/zinc/01/03/27/210010327.db2.gz UZLHTZHSHACOCL-UHFFFAOYSA-N 2 2 358.450 0.289 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000264901804 210010331 /nfs/dbraw/zinc/01/03/31/210010331.db2.gz UZLHTZHSHACOCL-UHFFFAOYSA-N 2 2 358.450 0.289 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000264848891 210001322 /nfs/dbraw/zinc/00/13/22/210001322.db2.gz MQXWRNFEHQWULS-IBGZPJMESA-N 2 2 359.518 0.802 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000264848891 210001326 /nfs/dbraw/zinc/00/13/26/210001326.db2.gz MQXWRNFEHQWULS-IBGZPJMESA-N 2 2 359.518 0.802 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000332255800 215117252 /nfs/dbraw/zinc/11/72/52/215117252.db2.gz CMQYCOQMGKKVSQ-CQSZACIVSA-N 2 2 364.450 0.597 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000332255800 215117253 /nfs/dbraw/zinc/11/72/53/215117253.db2.gz CMQYCOQMGKKVSQ-CQSZACIVSA-N 2 2 364.450 0.597 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000332305709 215126733 /nfs/dbraw/zinc/12/67/33/215126733.db2.gz MSHWLLLTJAYWGZ-UHFFFAOYSA-N 2 2 362.478 0.782 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000332300657 215125508 /nfs/dbraw/zinc/12/55/08/215125508.db2.gz PRCSFJRPGVMLDE-SFHVURJKSA-N 2 2 373.501 0.643 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000332300657 215125512 /nfs/dbraw/zinc/12/55/12/215125512.db2.gz PRCSFJRPGVMLDE-SFHVURJKSA-N 2 2 373.501 0.643 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000332543721 215174742 /nfs/dbraw/zinc/17/47/42/215174742.db2.gz YQXNSEQAOYFLQK-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000332543721 215174745 /nfs/dbraw/zinc/17/47/45/215174745.db2.gz YQXNSEQAOYFLQK-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nnnn3C(C)(C)C)CC2)CC1 ZINC000332532339 215171537 /nfs/dbraw/zinc/17/15/37/215171537.db2.gz YTOPSRTWCAFQTP-UHFFFAOYSA-N 2 2 363.510 0.804 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[N@H+]1C ZINC000332536636 215171987 /nfs/dbraw/zinc/17/19/87/215171987.db2.gz UTOXDHIJFILUDT-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[N@@H+]1C ZINC000332536636 215171991 /nfs/dbraw/zinc/17/19/91/215171991.db2.gz UTOXDHIJFILUDT-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000332539439 215174451 /nfs/dbraw/zinc/17/44/51/215174451.db2.gz JYQNBJLWMUBXDG-IAGOWNOFSA-N 2 2 358.486 0.848 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332997911 215221812 /nfs/dbraw/zinc/22/18/12/215221812.db2.gz QTXWNQZIKCHSOQ-BBWFWOEESA-N 2 2 354.495 0.459 20 0 FCADLP CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000333006799 215223074 /nfs/dbraw/zinc/22/30/74/215223074.db2.gz OWEJRIREAKATRQ-BRSBDYLESA-N 2 2 368.522 0.848 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000333007088 215223285 /nfs/dbraw/zinc/22/32/85/215223285.db2.gz AHQAIBFPHZHQQJ-IRXDYDNUSA-N 2 2 369.554 0.499 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)CC1 ZINC000333012209 215223645 /nfs/dbraw/zinc/22/36/45/215223645.db2.gz GCPWTBFPVSSMLM-UHFFFAOYSA-N 2 2 367.538 0.519 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333054005 215230440 /nfs/dbraw/zinc/23/04/40/215230440.db2.gz QZQFGJYTJNJPJC-DLBZAZTESA-N 2 2 366.506 0.528 20 0 FCADLP O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333073478 215230767 /nfs/dbraw/zinc/23/07/67/215230767.db2.gz VHAAXQOQMFBMHU-SFHVURJKSA-N 2 2 362.499 0.604 20 0 FCADLP O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000333073478 215230770 /nfs/dbraw/zinc/23/07/70/215230770.db2.gz VHAAXQOQMFBMHU-SFHVURJKSA-N 2 2 362.499 0.604 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068135 215231109 /nfs/dbraw/zinc/23/11/09/215231109.db2.gz JMMKWRHBLDRPDD-DOTOQJQBSA-N 2 2 357.520 0.440 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068135 215231112 /nfs/dbraw/zinc/23/11/12/215231112.db2.gz JMMKWRHBLDRPDD-DOTOQJQBSA-N 2 2 357.520 0.440 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1c(F)cccc1F ZINC000333145599 215242720 /nfs/dbraw/zinc/24/27/20/215242720.db2.gz DPJDLJJZJKXIGW-BDJLRTHQSA-N 2 2 352.385 0.387 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000333164856 215244756 /nfs/dbraw/zinc/24/47/56/215244756.db2.gz HCGYLTLBJJVLEH-QLFBSQMISA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH+]cn1 ZINC000333164856 215244759 /nfs/dbraw/zinc/24/47/59/215244759.db2.gz HCGYLTLBJJVLEH-QLFBSQMISA-N 2 2 359.478 0.738 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000333531497 215294695 /nfs/dbraw/zinc/29/46/95/215294695.db2.gz YDEZKOQGSVCIJO-CQSZACIVSA-N 2 2 373.505 0.978 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000333641336 215303022 /nfs/dbraw/zinc/30/30/22/215303022.db2.gz XIQCHEJZAKAQLG-ARFHVFGLSA-N 2 2 357.520 0.804 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333655864 215305921 /nfs/dbraw/zinc/30/59/21/215305921.db2.gz KQUPBQXTFJRPLV-JSGCOSHPSA-N 2 2 358.450 0.335 20 0 FCADLP C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[NH+]1CCSCC1 ZINC000333734780 215313502 /nfs/dbraw/zinc/31/35/02/215313502.db2.gz KLXTZEWDTRAJLT-OAHLLOKOSA-N 2 2 357.520 0.421 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)CC[NH2+]1 ZINC000333810944 215322306 /nfs/dbraw/zinc/32/23/06/215322306.db2.gz JHIUUPYIKMAUDC-IKGGRYGDSA-N 2 2 365.522 0.855 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)cn2c1 ZINC000333839912 215324740 /nfs/dbraw/zinc/32/47/40/215324740.db2.gz UWHUEWRRYNAYQO-INIZCTEOSA-N 2 2 370.457 0.749 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000333869269 215325943 /nfs/dbraw/zinc/32/59/43/215325943.db2.gz BKUJXGXXTXIQFO-OAHLLOKOSA-N 2 2 359.474 0.578 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333882336 215326927 /nfs/dbraw/zinc/32/69/27/215326927.db2.gz DVWDBHXITRQZHM-QGZVFWFLSA-N 2 2 358.490 0.871 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333899649 215329620 /nfs/dbraw/zinc/32/96/20/215329620.db2.gz ZPOSINZWINZQCZ-JKSUJKDBSA-N 2 2 351.495 0.467 20 0 FCADLP Cc1ccn2cc(CNC(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)[nH+]c2c1 ZINC000333938692 215333052 /nfs/dbraw/zinc/33/30/52/215333052.db2.gz MRMAJQMVNIQCGH-MRXNPFEDSA-N 2 2 370.457 0.749 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000333952147 215333772 /nfs/dbraw/zinc/33/37/72/215333772.db2.gz ZRZCRNYLTHSWPV-HNNXBMFYSA-N 2 2 355.508 0.863 20 0 FCADLP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)C1 ZINC000333952147 215333773 /nfs/dbraw/zinc/33/37/73/215333773.db2.gz ZRZCRNYLTHSWPV-HNNXBMFYSA-N 2 2 355.508 0.863 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000285787196 213394571 /nfs/dbraw/zinc/39/45/71/213394571.db2.gz CJQUQGOPEHWZEJ-CQSZACIVSA-N 2 2 363.462 0.757 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285683900 213377647 /nfs/dbraw/zinc/37/76/47/213377647.db2.gz QFQMIXAWTXHBQA-UHFFFAOYSA-N 2 2 356.430 0.619 20 0 FCADLP CCOCCNC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285582022 213363516 /nfs/dbraw/zinc/36/35/16/213363516.db2.gz WZSHNGOMCYWEEO-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP CCOCCNC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285582022 213363519 /nfs/dbraw/zinc/36/35/19/213363519.db2.gz WZSHNGOMCYWEEO-UHFFFAOYSA-N 2 2 362.518 0.889 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000285576633 213361628 /nfs/dbraw/zinc/36/16/28/213361628.db2.gz RUXDJFBWYHBBGI-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000285576633 213361632 /nfs/dbraw/zinc/36/16/32/213361632.db2.gz RUXDJFBWYHBBGI-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000285391878 213334697 /nfs/dbraw/zinc/33/46/97/213334697.db2.gz WUEQZDVBAFYPBG-UHFFFAOYSA-N 2 2 359.474 0.990 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363269637 215504481 /nfs/dbraw/zinc/50/44/81/215504481.db2.gz JNFKMBVNTUDGEZ-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c[nH+]1 ZINC000284739663 213210457 /nfs/dbraw/zinc/21/04/57/213210457.db2.gz ZWEVSHPNRISNFZ-HZPDHXFCSA-N 2 2 359.474 0.707 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c[nH+]1 ZINC000284739663 213210461 /nfs/dbraw/zinc/21/04/61/213210461.db2.gz ZWEVSHPNRISNFZ-HZPDHXFCSA-N 2 2 359.474 0.707 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000284541087 213164770 /nfs/dbraw/zinc/16/47/70/213164770.db2.gz UTLBAKDKSQHIKX-AWEZNQCLSA-N 2 2 366.462 0.226 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c[nH+]1 ZINC000284485367 213151235 /nfs/dbraw/zinc/15/12/35/213151235.db2.gz HQVHNWMFKPWBMP-UHFFFAOYSA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000284463409 213145333 /nfs/dbraw/zinc/14/53/33/213145333.db2.gz QOTVYKVRIJRGDW-UHFFFAOYSA-N 2 2 365.478 0.267 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000284396812 213127866 /nfs/dbraw/zinc/12/78/66/213127866.db2.gz WBRYRQGQGDSIST-UHFFFAOYSA-N 2 2 365.478 0.267 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284284253 213103336 /nfs/dbraw/zinc/10/33/36/213103336.db2.gz IKEJLEGGXGVXTI-RDJZCZTQSA-N 2 2 369.469 0.936 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000284284253 213103338 /nfs/dbraw/zinc/10/33/38/213103338.db2.gz IKEJLEGGXGVXTI-RDJZCZTQSA-N 2 2 369.469 0.936 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000284150679 213085017 /nfs/dbraw/zinc/08/50/17/213085017.db2.gz VVVKRKICYYXCQL-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000284162234 213089112 /nfs/dbraw/zinc/08/91/12/213089112.db2.gz ZNXYKJIYPYBFNS-GJZGRUSLSA-N 2 2 359.430 0.934 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000284043467 213062018 /nfs/dbraw/zinc/06/20/18/213062018.db2.gz SIXILVSXQIIUKX-BFYDXBDKSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000284043467 213062021 /nfs/dbraw/zinc/06/20/21/213062021.db2.gz SIXILVSXQIIUKX-BFYDXBDKSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283988962 213049782 /nfs/dbraw/zinc/04/97/82/213049782.db2.gz PQHVVJMFKHYUFC-RDJZCZTQSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283988962 213049784 /nfs/dbraw/zinc/04/97/84/213049784.db2.gz PQHVVJMFKHYUFC-RDJZCZTQSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000283933131 213037680 /nfs/dbraw/zinc/03/76/80/213037680.db2.gz NIDRPYTWHLBWPO-CJNGLKHVSA-N 2 2 361.421 0.946 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283913254 213033317 /nfs/dbraw/zinc/03/33/17/213033317.db2.gz MPILSJCTGCEMLI-AWEZNQCLSA-N 2 2 356.430 0.699 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881428 213026448 /nfs/dbraw/zinc/02/64/48/213026448.db2.gz KBJKOVFTNWVOHJ-WBVHZDCISA-N 2 2 355.442 0.636 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283881428 213026451 /nfs/dbraw/zinc/02/64/51/213026451.db2.gz KBJKOVFTNWVOHJ-WBVHZDCISA-N 2 2 355.442 0.636 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000283806339 213011049 /nfs/dbraw/zinc/01/10/49/213011049.db2.gz IHUBRCHZILPJFI-RBSFLKMASA-N 2 2 365.478 0.392 20 0 FCADLP Cn1nnc2c1nccc2C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000283545715 212969353 /nfs/dbraw/zinc/96/93/53/212969353.db2.gz IQDLQYOCGQONLW-UHFFFAOYSA-N 2 2 357.462 0.652 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC000412104712 237170586 /nfs/dbraw/zinc/17/05/86/237170586.db2.gz OCOLHGVDEQYQFD-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC000412104712 237170596 /nfs/dbraw/zinc/17/05/96/237170596.db2.gz OCOLHGVDEQYQFD-RBUKOAKNSA-N 2 2 361.486 0.314 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000412438494 237211870 /nfs/dbraw/zinc/21/18/70/237211870.db2.gz UAQBRADNMZUHOL-SFHVURJKSA-N 2 2 369.506 0.435 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000412438494 237211871 /nfs/dbraw/zinc/21/18/71/237211871.db2.gz UAQBRADNMZUHOL-SFHVURJKSA-N 2 2 369.506 0.435 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CS(N)(=O)=O)CC1 ZINC000931229699 674102353 /nfs/dbraw/zinc/10/23/53/674102353.db2.gz VSTKTGLCFVZTGF-HNNXBMFYSA-N 2 2 360.524 0.118 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CS(N)(=O)=O)CC1 ZINC000931229699 674102354 /nfs/dbraw/zinc/10/23/54/674102354.db2.gz VSTKTGLCFVZTGF-HNNXBMFYSA-N 2 2 360.524 0.118 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791779 216032309 /nfs/dbraw/zinc/03/23/09/216032309.db2.gz DAGNRBXKCLVTEF-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000366791779 216032312 /nfs/dbraw/zinc/03/23/12/216032312.db2.gz DAGNRBXKCLVTEF-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000413036831 237265606 /nfs/dbraw/zinc/26/56/06/237265606.db2.gz BUTOLOVNOSTRCA-MRXNPFEDSA-N 2 2 368.478 0.871 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885893 216046345 /nfs/dbraw/zinc/04/63/45/216046345.db2.gz QBHZMZKHKSRZMW-HZPDHXFCSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885893 216046348 /nfs/dbraw/zinc/04/63/48/216046348.db2.gz QBHZMZKHKSRZMW-HZPDHXFCSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030318 216065517 /nfs/dbraw/zinc/06/55/17/216065517.db2.gz PYLPXXVQDJZHCM-HZPDHXFCSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030318 216065519 /nfs/dbraw/zinc/06/55/19/216065519.db2.gz PYLPXXVQDJZHCM-HZPDHXFCSA-N 2 2 365.522 0.665 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000367275577 216101600 /nfs/dbraw/zinc/10/16/00/216101600.db2.gz WRJDKMQLEURWOY-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000367275577 216101602 /nfs/dbraw/zinc/10/16/02/216101602.db2.gz WRJDKMQLEURWOY-OAHLLOKOSA-N 2 2 370.494 0.376 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000246482939 209388849 /nfs/dbraw/zinc/38/88/49/209388849.db2.gz VVSYWPKIVZVUFP-KURKYZTESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000245413228 209367355 /nfs/dbraw/zinc/36/73/55/209367355.db2.gz BEZZFIKESRMFKB-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000245413228 209367362 /nfs/dbraw/zinc/36/73/62/209367362.db2.gz BEZZFIKESRMFKB-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H]1C ZINC000245413228 209367366 /nfs/dbraw/zinc/36/73/66/209367366.db2.gz BEZZFIKESRMFKB-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H]1C ZINC000245413228 209367367 /nfs/dbraw/zinc/36/73/67/209367367.db2.gz BEZZFIKESRMFKB-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000246152885 209379544 /nfs/dbraw/zinc/37/95/44/209379544.db2.gz MLMRPMVZQNBQFV-CRAIPNDOSA-N 2 2 373.501 0.824 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000246152885 209379548 /nfs/dbraw/zinc/37/95/48/209379548.db2.gz MLMRPMVZQNBQFV-CRAIPNDOSA-N 2 2 373.501 0.824 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000237267783 209349740 /nfs/dbraw/zinc/34/97/40/209349740.db2.gz BFZCTTCBMVVLJL-CYBMUJFWSA-N 2 2 354.476 0.417 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000237171542 209349308 /nfs/dbraw/zinc/34/93/08/209349308.db2.gz FBWPRVBUKBZKEQ-OAHLLOKOSA-N 2 2 362.474 0.425 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000237270969 209348848 /nfs/dbraw/zinc/34/88/48/209348848.db2.gz ZQZPQLPWZCVMFM-INIZCTEOSA-N 2 2 360.458 0.525 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000194954879 209330703 /nfs/dbraw/zinc/33/07/03/209330703.db2.gz XMSFNOGENADONR-YYIAUSFCSA-N 2 2 356.511 0.846 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000194954879 209330704 /nfs/dbraw/zinc/33/07/04/209330704.db2.gz XMSFNOGENADONR-YYIAUSFCSA-N 2 2 356.511 0.846 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000193579139 209314835 /nfs/dbraw/zinc/31/48/35/209314835.db2.gz YOELDIIDQBFLAA-LPHOPBHVSA-N 2 2 358.486 0.753 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000368486349 216252192 /nfs/dbraw/zinc/25/21/92/216252192.db2.gz ZNYRIJDQGCXQGV-KRWDZBQOSA-N 2 2 352.523 0.724 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n(C)c1C ZINC000368692516 216282018 /nfs/dbraw/zinc/28/20/18/216282018.db2.gz NYLKFIDVGCNWRU-MRXNPFEDSA-N 2 2 364.490 0.616 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699934 216284128 /nfs/dbraw/zinc/28/41/28/216284128.db2.gz KZQPBXPADLBECA-WMZOPIPTSA-N 2 2 352.523 0.487 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C[NH+]1CCN(C)CC1 ZINC000368699934 216284130 /nfs/dbraw/zinc/28/41/30/216284130.db2.gz KZQPBXPADLBECA-WMZOPIPTSA-N 2 2 352.523 0.487 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@]34CCOC4=O)C2)CC1 ZINC000368726982 216288233 /nfs/dbraw/zinc/28/82/33/216288233.db2.gz JBMGTZMBKGGJBZ-RDTXWAMCSA-N 2 2 350.463 0.646 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@]34CCOC4=O)C2)CC1 ZINC000368726982 216288236 /nfs/dbraw/zinc/28/82/36/216288236.db2.gz JBMGTZMBKGGJBZ-RDTXWAMCSA-N 2 2 350.463 0.646 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(N2CCCC2=O)CC1)[NH+]1CCOCC1 ZINC000369025864 216333034 /nfs/dbraw/zinc/33/30/34/216333034.db2.gz FOQMRWMIDNOXPF-UHFFFAOYSA-N 2 2 366.506 0.300 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@]4(CCOC4)OC(C)(C)C3)cn2)CC1 ZINC000369134912 216353171 /nfs/dbraw/zinc/35/31/71/216353171.db2.gz QYPQQKHMICPVBG-IBGZPJMESA-N 2 2 361.490 0.998 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@]4(CCOC4)OC(C)(C)C3)cn2)CC1 ZINC000369134912 216353173 /nfs/dbraw/zinc/35/31/73/216353173.db2.gz QYPQQKHMICPVBG-IBGZPJMESA-N 2 2 361.490 0.998 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000369116331 216350806 /nfs/dbraw/zinc/35/08/06/216350806.db2.gz KHDBWXFUORYRIR-UHFFFAOYSA-N 2 2 354.458 0.951 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000369116331 216350809 /nfs/dbraw/zinc/35/08/09/216350809.db2.gz KHDBWXFUORYRIR-UHFFFAOYSA-N 2 2 354.458 0.951 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000369255369 216370128 /nfs/dbraw/zinc/37/01/28/216370128.db2.gz MOOYPXRYWCLBPT-CYBMUJFWSA-N 2 2 356.426 0.469 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000369255369 216370132 /nfs/dbraw/zinc/37/01/32/216370132.db2.gz MOOYPXRYWCLBPT-CYBMUJFWSA-N 2 2 356.426 0.469 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000369264851 216373037 /nfs/dbraw/zinc/37/30/37/216373037.db2.gz CQRJDAIRJBVIHD-CQSZACIVSA-N 2 2 370.453 0.567 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000369264851 216373042 /nfs/dbraw/zinc/37/30/42/216373042.db2.gz CQRJDAIRJBVIHD-CQSZACIVSA-N 2 2 370.453 0.567 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275133 216375659 /nfs/dbraw/zinc/37/56/59/216375659.db2.gz VVFSGGFTRXAUGH-JCKWVBRZSA-N 2 2 366.531 0.725 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275133 216375661 /nfs/dbraw/zinc/37/56/61/216375661.db2.gz VVFSGGFTRXAUGH-JCKWVBRZSA-N 2 2 366.531 0.725 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000369274345 216376904 /nfs/dbraw/zinc/37/69/04/216376904.db2.gz OKRFZNKGQBZMIO-MRXNPFEDSA-N 2 2 369.473 0.625 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000369274345 216376908 /nfs/dbraw/zinc/37/69/08/216376908.db2.gz OKRFZNKGQBZMIO-MRXNPFEDSA-N 2 2 369.473 0.625 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000369274344 216377064 /nfs/dbraw/zinc/37/70/64/216377064.db2.gz OKRFZNKGQBZMIO-INIZCTEOSA-N 2 2 369.473 0.625 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3nnc(-c4ccccc4)n3)C2)CC1 ZINC000369274344 216377068 /nfs/dbraw/zinc/37/70/68/216377068.db2.gz OKRFZNKGQBZMIO-INIZCTEOSA-N 2 2 369.473 0.625 20 0 FCADLP COC(=O)CSCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372881 216390715 /nfs/dbraw/zinc/39/07/15/216390715.db2.gz MRBRMIGREBGYEX-ZDUSSCGKSA-N 2 2 358.508 0.360 20 0 FCADLP COC(=O)CSCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372881 216390719 /nfs/dbraw/zinc/39/07/19/216390719.db2.gz MRBRMIGREBGYEX-ZDUSSCGKSA-N 2 2 358.508 0.360 20 0 FCADLP COCCCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374550 216392166 /nfs/dbraw/zinc/39/21/66/216392166.db2.gz SNXFCWPTZZLYLB-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP COCCCN(CCOC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374550 216392169 /nfs/dbraw/zinc/39/21/69/216392169.db2.gz SNXFCWPTZZLYLB-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342491 216387588 /nfs/dbraw/zinc/38/75/88/216387588.db2.gz IXDPKZXFGPUMQW-CPJLOUKISA-N 2 2 364.515 0.963 20 0 FCADLP C[C@@H]1CC[S@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342491 216387590 /nfs/dbraw/zinc/38/75/90/216387590.db2.gz IXDPKZXFGPUMQW-CPJLOUKISA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342492 216387997 /nfs/dbraw/zinc/38/79/97/216387997.db2.gz IXDPKZXFGPUMQW-IVCQMTBJSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342492 216388001 /nfs/dbraw/zinc/38/80/01/216388001.db2.gz IXDPKZXFGPUMQW-IVCQMTBJSA-N 2 2 364.515 0.963 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC(=O)N3CCCCC3)C2)CC1 ZINC000369392655 216395186 /nfs/dbraw/zinc/39/51/86/216395186.db2.gz ISMROBJSFVTBCV-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC(=O)N3CCCCC3)C2)CC1 ZINC000369392655 216395188 /nfs/dbraw/zinc/39/51/88/216395188.db2.gz ISMROBJSFVTBCV-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369402158 216396300 /nfs/dbraw/zinc/39/63/00/216396300.db2.gz PSIISAQFCDSTKZ-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402158 216396303 /nfs/dbraw/zinc/39/63/03/216396303.db2.gz PSIISAQFCDSTKZ-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369402968 216398780 /nfs/dbraw/zinc/39/87/80/216398780.db2.gz SXRYYGCTCNBOHD-MSOLQXFVSA-N 2 2 366.554 0.044 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402968 216398784 /nfs/dbraw/zinc/39/87/84/216398784.db2.gz SXRYYGCTCNBOHD-MSOLQXFVSA-N 2 2 366.554 0.044 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369402970 216399300 /nfs/dbraw/zinc/39/93/00/216399300.db2.gz SXRYYGCTCNBOHD-ROUUACIJSA-N 2 2 366.554 0.044 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402970 216399303 /nfs/dbraw/zinc/39/93/03/216399303.db2.gz SXRYYGCTCNBOHD-ROUUACIJSA-N 2 2 366.554 0.044 20 0 FCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000189846116 209262127 /nfs/dbraw/zinc/26/21/27/209262127.db2.gz IXRPMGIQFYKKMW-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000189846116 209262129 /nfs/dbraw/zinc/26/21/29/209262129.db2.gz IXRPMGIQFYKKMW-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188796959 209238771 /nfs/dbraw/zinc/23/87/71/209238771.db2.gz PWOYCKJFBLTGBZ-UHFFFAOYSA-N 2 2 372.448 0.747 20 0 FCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)co1 ZINC000188190945 209225888 /nfs/dbraw/zinc/22/58/88/209225888.db2.gz LDWBGYBERJIDBW-INIZCTEOSA-N 2 2 359.426 0.936 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1OC ZINC000276857422 212298886 /nfs/dbraw/zinc/29/88/86/212298886.db2.gz JUKJLHLGHDHBAI-HDICACEKSA-N 2 2 363.458 0.803 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1OC ZINC000276857422 212298891 /nfs/dbraw/zinc/29/88/91/212298891.db2.gz JUKJLHLGHDHBAI-HDICACEKSA-N 2 2 363.458 0.803 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1CCO ZINC000187301934 209210499 /nfs/dbraw/zinc/21/04/99/209210499.db2.gz LGIDXWNFLWXNQY-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1CCO ZINC000187301934 209210503 /nfs/dbraw/zinc/21/05/03/209210503.db2.gz LGIDXWNFLWXNQY-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+]1CCO ZINC000187301934 209210509 /nfs/dbraw/zinc/21/05/09/209210509.db2.gz LGIDXWNFLWXNQY-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+]1CCO ZINC000187301934 209210512 /nfs/dbraw/zinc/21/05/12/209210512.db2.gz LGIDXWNFLWXNQY-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1CCO ZINC000187276265 209209392 /nfs/dbraw/zinc/20/93/92/209209392.db2.gz DAEYPVAEAPXMEB-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1CCO ZINC000187276265 209209394 /nfs/dbraw/zinc/20/93/94/209209394.db2.gz DAEYPVAEAPXMEB-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1O ZINC000186909319 209199920 /nfs/dbraw/zinc/19/99/20/209199920.db2.gz YSWOVRRDAUDDGO-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1O ZINC000186909319 209199926 /nfs/dbraw/zinc/19/99/26/209199926.db2.gz YSWOVRRDAUDDGO-IRXDYDNUSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000186832505 209199156 /nfs/dbraw/zinc/19/91/56/209199156.db2.gz IWUVHUSJPITPCJ-QGZVFWFLSA-N 2 2 360.502 0.573 20 0 FCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000186578295 209191782 /nfs/dbraw/zinc/19/17/82/209191782.db2.gz WMWFLSPIYRFQQS-UHFFFAOYSA-N 2 2 373.523 0.083 20 0 FCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000186578295 209191786 /nfs/dbraw/zinc/19/17/86/209191786.db2.gz WMWFLSPIYRFQQS-UHFFFAOYSA-N 2 2 373.523 0.083 20 0 FCADLP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1C ZINC000931484835 674117218 /nfs/dbraw/zinc/11/72/18/674117218.db2.gz YBXQABVVIQRDKU-UHFFFAOYSA-N 2 2 351.447 0.989 20 0 FCADLP C[NH2+]CCCNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415018152 245341913 /nfs/dbraw/zinc/34/19/13/245341913.db2.gz GMWUKHMSYIJXNI-UHFFFAOYSA-N 2 2 369.491 0.354 20 0 FCADLP O=S(=O)(c1ccccc1C[NH2+]CCC[NH2+]C1CC1)N1CCOCC1 ZINC000415072559 245347156 /nfs/dbraw/zinc/34/71/56/245347156.db2.gz WRJDZCLDOREDSQ-UHFFFAOYSA-N 2 2 353.488 0.939 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000415235844 245364406 /nfs/dbraw/zinc/36/44/06/245364406.db2.gz XEHOFZNEGIUORX-RHSMWYFYSA-N 2 2 360.458 0.666 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000415226489 245365650 /nfs/dbraw/zinc/36/56/50/245365650.db2.gz IZPWXORNICFIEO-WMLDXEAASA-N 2 2 360.458 0.666 20 0 FCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184994629 209170216 /nfs/dbraw/zinc/17/02/16/209170216.db2.gz ZLQPOUCHYGRDMQ-INIZCTEOSA-N 2 2 362.478 0.727 20 0 FCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184994629 209170218 /nfs/dbraw/zinc/17/02/18/209170218.db2.gz ZLQPOUCHYGRDMQ-INIZCTEOSA-N 2 2 362.478 0.727 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509328 217026151 /nfs/dbraw/zinc/02/61/51/217026151.db2.gz OHGYVTPHVKDVFD-VQIMIIECSA-N 2 2 364.534 0.915 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509328 217026153 /nfs/dbraw/zinc/02/61/53/217026153.db2.gz OHGYVTPHVKDVFD-VQIMIIECSA-N 2 2 364.534 0.915 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000374076418 217093101 /nfs/dbraw/zinc/09/31/01/217093101.db2.gz CSOKSAHLAWGXPE-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000374076418 217093104 /nfs/dbraw/zinc/09/31/04/217093104.db2.gz CSOKSAHLAWGXPE-SJORKVTESA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000374076417 217093589 /nfs/dbraw/zinc/09/35/89/217093589.db2.gz CSOKSAHLAWGXPE-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000374076417 217093593 /nfs/dbraw/zinc/09/35/93/217093593.db2.gz CSOKSAHLAWGXPE-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000374082330 217094104 /nfs/dbraw/zinc/09/41/04/217094104.db2.gz XGDVSRDXIAFZCX-PVAVHDDUSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000374082330 217094109 /nfs/dbraw/zinc/09/41/09/217094109.db2.gz XGDVSRDXIAFZCX-PVAVHDDUSA-N 2 2 363.506 0.608 20 0 FCADLP COC[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000183441680 209145683 /nfs/dbraw/zinc/14/56/83/209145683.db2.gz JEOKCNALMXDMAQ-HNNXBMFYSA-N 2 2 373.461 0.027 20 0 FCADLP Cc1ccncc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375546427 217283258 /nfs/dbraw/zinc/28/32/58/217283258.db2.gz PBZMTMFJOXWVJI-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP Cc1ccncc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375546427 217283262 /nfs/dbraw/zinc/28/32/62/217283262.db2.gz PBZMTMFJOXWVJI-MRXNPFEDSA-N 2 2 359.474 0.955 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418847603 245863452 /nfs/dbraw/zinc/86/34/52/245863452.db2.gz VQTVIBWUSYYPQC-OAHLLOKOSA-N 2 2 355.442 0.994 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419040079 245953839 /nfs/dbraw/zinc/95/38/39/245953839.db2.gz LSIGUJCQHJPJIH-JKSUJKDBSA-N 2 2 353.426 0.556 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419116833 245989876 /nfs/dbraw/zinc/98/98/76/245989876.db2.gz LNMRUQIODONURB-IXDOHACOSA-N 2 2 366.506 0.202 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000419119811 245992467 /nfs/dbraw/zinc/99/24/67/245992467.db2.gz PGFLDGUCFSJWHR-QGZVFWFLSA-N 2 2 368.522 0.308 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181111933 209107476 /nfs/dbraw/zinc/10/74/76/209107476.db2.gz OPWZNFMVFLROHY-UHFFFAOYSA-N 2 2 351.451 0.942 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419125072 246000047 /nfs/dbraw/zinc/00/00/47/246000047.db2.gz YVSWRSAVZIXVFI-BBWFWOEESA-N 2 2 368.522 0.483 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000419151897 246020038 /nfs/dbraw/zinc/02/00/38/246020038.db2.gz MSKIZCNARLVCFK-MRXNPFEDSA-N 2 2 355.442 0.692 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000419159361 246023100 /nfs/dbraw/zinc/02/31/00/246023100.db2.gz XITZTBSURKFFTK-CVEARBPZSA-N 2 2 369.469 0.951 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@H]21 ZINC000419212193 246057476 /nfs/dbraw/zinc/05/74/76/246057476.db2.gz ZKPBKVHKEJFRLR-BRWVUGGUSA-N 2 2 371.485 0.884 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)c[nH+]2)CC1 ZINC000419206020 246052532 /nfs/dbraw/zinc/05/25/32/246052532.db2.gz MDRYJRGVXRIWAK-INIZCTEOSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419242884 246073267 /nfs/dbraw/zinc/07/32/67/246073267.db2.gz RZXYSRBGMXLXTD-UHFFFAOYSA-N 2 2 355.442 0.941 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000419395823 246133519 /nfs/dbraw/zinc/13/35/19/246133519.db2.gz USAQPFCVBBYFSS-NILFDRSVSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000419395823 246133523 /nfs/dbraw/zinc/13/35/23/246133523.db2.gz USAQPFCVBBYFSS-NILFDRSVSA-N 2 2 368.865 0.291 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c[nH+]1 ZINC000419398722 246135412 /nfs/dbraw/zinc/13/54/12/246135412.db2.gz XUHDBAZNXHZLBI-DLBZAZTESA-N 2 2 367.453 0.717 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCNc2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000419651975 246231966 /nfs/dbraw/zinc/23/19/66/246231966.db2.gz PUIZGCITTQPGRQ-DLBZAZTESA-N 2 2 367.453 0.953 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419681714 246246053 /nfs/dbraw/zinc/24/60/53/246246053.db2.gz IWWQHCQVKLXVEY-IVMMDQJWSA-N 2 2 359.405 0.480 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419681713 246246254 /nfs/dbraw/zinc/24/62/54/246246254.db2.gz IWWQHCQVKLXVEY-DUVNUKRYSA-N 2 2 359.405 0.480 20 0 FCADLP C[C@H](NC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000419688631 246252771 /nfs/dbraw/zinc/25/27/71/246252771.db2.gz RIIGRFXHQNKDPN-UOVPBQLFSA-N 2 2 374.485 0.165 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000419810533 246303724 /nfs/dbraw/zinc/30/37/24/246303724.db2.gz XGICSMZSKVNZLD-AWEZNQCLSA-N 2 2 362.478 0.393 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000419828654 246307309 /nfs/dbraw/zinc/30/73/09/246307309.db2.gz SGODSFVNWZNLPK-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419842016 246315621 /nfs/dbraw/zinc/31/56/21/246315621.db2.gz LBDDJUJSUQQIHX-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419842016 246315626 /nfs/dbraw/zinc/31/56/26/246315626.db2.gz LBDDJUJSUQQIHX-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419844751 246318562 /nfs/dbraw/zinc/31/85/62/246318562.db2.gz OISMLCNRODLXNP-WBVHZDCISA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)c1 ZINC000419850619 246322470 /nfs/dbraw/zinc/32/24/70/246322470.db2.gz LZTIDJRKWKEGFH-OAHLLOKOSA-N 2 2 374.485 0.769 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000419855557 246326308 /nfs/dbraw/zinc/32/63/08/246326308.db2.gz CYUGNKXATMVFBK-UKTKYZJWSA-N 2 2 356.470 0.698 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858033 246328169 /nfs/dbraw/zinc/32/81/69/246328169.db2.gz KXUJRPXPHLVXBK-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419858033 246328174 /nfs/dbraw/zinc/32/81/74/246328174.db2.gz KXUJRPXPHLVXBK-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419862248 246333573 /nfs/dbraw/zinc/33/35/73/246333573.db2.gz QDNPFMGTHCGQGT-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419862248 246333578 /nfs/dbraw/zinc/33/35/78/246333578.db2.gz QDNPFMGTHCGQGT-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000419877224 246344155 /nfs/dbraw/zinc/34/41/55/246344155.db2.gz YAWARDQVRMMDTP-KRWDZBQOSA-N 2 2 360.458 0.063 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419879208 246346415 /nfs/dbraw/zinc/34/64/15/246346415.db2.gz RFCOLOASIDHTRH-SJORKVTESA-N 2 2 374.485 0.726 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419881628 246348449 /nfs/dbraw/zinc/34/84/49/246348449.db2.gz BIAGFMDJMJNCCO-MRXNPFEDSA-N 2 2 360.458 0.078 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000419885586 246350102 /nfs/dbraw/zinc/35/01/02/246350102.db2.gz HOTKQSHIUBOEOE-RDJZCZTQSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000419885588 246350388 /nfs/dbraw/zinc/35/03/88/246350388.db2.gz HOTKQSHIUBOEOE-WBVHZDCISA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419885582 246350942 /nfs/dbraw/zinc/35/09/42/246350942.db2.gz HOTKQSHIUBOEOE-DOTOQJQBSA-N 2 2 374.485 0.769 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887087 246351830 /nfs/dbraw/zinc/35/18/30/246351830.db2.gz QFWXQWYYERTCNR-HUUCEWRRSA-N 2 2 355.442 0.814 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419904832 246361781 /nfs/dbraw/zinc/36/17/81/246361781.db2.gz XYDRAHJZMZKQNL-UHFFFAOYSA-N 2 2 352.866 0.710 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000419904832 246361786 /nfs/dbraw/zinc/36/17/86/246361786.db2.gz XYDRAHJZMZKQNL-UHFFFAOYSA-N 2 2 352.866 0.710 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000422594792 246888777 /nfs/dbraw/zinc/88/87/77/246888777.db2.gz XFNJXQLXGGJRST-HOTGVXAUSA-N 2 2 362.474 0.930 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000423338344 247007817 /nfs/dbraw/zinc/00/78/17/247007817.db2.gz YWLKVHQUWWTVQH-CVEARBPZSA-N 2 2 373.501 0.873 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)CC1(C[NH3+])CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000423349373 247009366 /nfs/dbraw/zinc/00/93/66/247009366.db2.gz WJQLGQGXOGGHGA-ZBFHGGJFSA-N 2 2 354.495 0.095 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[C@@]1(C)C[NH3+] ZINC000423371720 247012622 /nfs/dbraw/zinc/01/26/22/247012622.db2.gz ARWMBWXNFPZUNW-ZRGWGRIASA-N 2 2 361.490 0.645 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1 ZINC000423380063 247015468 /nfs/dbraw/zinc/01/54/68/247015468.db2.gz GUMHETKVXZMYEX-ZIFCJYIRSA-N 2 2 361.486 0.959 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375111 247016310 /nfs/dbraw/zinc/01/63/10/247016310.db2.gz ITHTWMKCGJQWSR-IAQYHMDHSA-N 2 2 354.401 0.668 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375111 247016313 /nfs/dbraw/zinc/01/63/13/247016313.db2.gz ITHTWMKCGJQWSR-IAQYHMDHSA-N 2 2 354.401 0.668 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423397584 247021117 /nfs/dbraw/zinc/02/11/17/247021117.db2.gz TYBGCSCHISCGPZ-ULQDDVLXSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423397584 247021121 /nfs/dbraw/zinc/02/11/21/247021121.db2.gz TYBGCSCHISCGPZ-ULQDDVLXSA-N 2 2 358.486 0.928 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000423530549 247045125 /nfs/dbraw/zinc/04/51/25/247045125.db2.gz PPSHROWYMNRVNV-IAGOWNOFSA-N 3 2 367.538 0.199 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423530549 247045131 /nfs/dbraw/zinc/04/51/31/247045131.db2.gz PPSHROWYMNRVNV-IAGOWNOFSA-N 3 2 367.538 0.199 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423547048 247048367 /nfs/dbraw/zinc/04/83/67/247048367.db2.gz CEIJZTQHUNFUQE-CVEARBPZSA-N 2 2 359.474 0.625 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423550967 247048394 /nfs/dbraw/zinc/04/83/94/247048394.db2.gz IVYLGMUEGGCHHQ-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423550967 247048397 /nfs/dbraw/zinc/04/83/97/247048397.db2.gz IVYLGMUEGGCHHQ-INIZCTEOSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423588913 247064992 /nfs/dbraw/zinc/06/49/92/247064992.db2.gz BMDDOVSPZMJIQN-INIZCTEOSA-N 2 2 360.458 0.030 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423589944 247065200 /nfs/dbraw/zinc/06/52/00/247065200.db2.gz ANTVEKMGOWXTTR-AWEZNQCLSA-N 2 2 350.488 0.603 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000423688694 247112272 /nfs/dbraw/zinc/11/22/72/247112272.db2.gz XJTCJBSRAUAIPW-HZPDHXFCSA-N 2 2 354.495 0.284 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000423623429 247082471 /nfs/dbraw/zinc/08/24/71/247082471.db2.gz BYBMKALRNHSCRX-IAGOWNOFSA-N 2 2 358.486 0.582 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000423693752 247114455 /nfs/dbraw/zinc/11/44/55/247114455.db2.gz ACIPKEHRRBNQOO-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP COCC[NH2+]CC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000423809127 247141508 /nfs/dbraw/zinc/14/15/08/247141508.db2.gz LXXYBNADYRHVCZ-UHFFFAOYSA-N 2 2 351.447 0.454 20 0 FCADLP C[NH2+]CCC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423901210 247148600 /nfs/dbraw/zinc/14/86/00/247148600.db2.gz NHQFAFICVVEVBI-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423922621 247150978 /nfs/dbraw/zinc/15/09/78/247150978.db2.gz JYLYYXNZURRYEB-MELADBBJSA-N 2 2 356.467 0.811 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423922621 247150981 /nfs/dbraw/zinc/15/09/81/247150981.db2.gz JYLYYXNZURRYEB-MELADBBJSA-N 2 2 356.467 0.811 20 0 FCADLP C[NH2+][C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)c1cnn(C)c1 ZINC000423927860 247152658 /nfs/dbraw/zinc/15/26/58/247152658.db2.gz JRKHSKBROQQPJX-GOEBONIOSA-N 2 2 358.446 0.822 20 0 FCADLP C[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000423996713 247158877 /nfs/dbraw/zinc/15/88/77/247158877.db2.gz KPXGONFSGGRGNZ-IRXDYDNUSA-N 2 2 373.501 0.954 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000423742970 247134077 /nfs/dbraw/zinc/13/40/77/247134077.db2.gz LLMHVCDANNOOGO-FUHWJXTLSA-N 2 2 373.501 0.887 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423739849 247134774 /nfs/dbraw/zinc/13/47/74/247134774.db2.gz WLUAERTZIHALFO-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1C[NH3+] ZINC000423746555 247136775 /nfs/dbraw/zinc/13/67/75/247136775.db2.gz YBRAEGVPLPOSFL-GDBMZVCRSA-N 2 2 364.515 0.978 20 0 FCADLP C[NH2+]CC1CC[NH+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000424267925 247193921 /nfs/dbraw/zinc/19/39/21/247193921.db2.gz KTVFSCRWGYCDIG-UHFFFAOYSA-N 2 2 353.488 0.638 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000424340290 247197443 /nfs/dbraw/zinc/19/74/43/247197443.db2.gz XXIUTTCKUQCMFR-ZIAGYGMSSA-N 2 2 354.476 0.749 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424332050 247198029 /nfs/dbraw/zinc/19/80/29/247198029.db2.gz KLMGMLMAMBSASG-ZIAGYGMSSA-N 2 2 352.460 0.083 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424509283 247244740 /nfs/dbraw/zinc/24/47/40/247244740.db2.gz QCNKMRUCZZIBPG-AAEUAGOBSA-N 2 2 357.405 0.305 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000424484098 247235247 /nfs/dbraw/zinc/23/52/47/247235247.db2.gz ZQIYSFYAZJCPDO-NFAWXSAZSA-N 2 2 373.448 0.177 20 0 FCADLP CN(C(=O)[C@@]1(C)C[C@H]1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000424657381 247268057 /nfs/dbraw/zinc/26/80/57/247268057.db2.gz ZYMCNZUOXBIJEU-QAPCUYQASA-N 2 2 354.470 0.431 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000425393866 247331649 /nfs/dbraw/zinc/33/16/49/247331649.db2.gz VMOFOXNKFVXQGG-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425394129 247331925 /nfs/dbraw/zinc/33/19/25/247331925.db2.gz FNWLOSQOIXUGEB-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425394129 247331928 /nfs/dbraw/zinc/33/19/28/247331928.db2.gz FNWLOSQOIXUGEB-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP COc1ccnc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000425838235 247399750 /nfs/dbraw/zinc/39/97/50/247399750.db2.gz IKRIGCAMYARYHP-UHFFFAOYSA-N 2 2 350.467 0.653 20 0 FCADLP COc1ccnc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000425838235 247399755 /nfs/dbraw/zinc/39/97/55/247399755.db2.gz IKRIGCAMYARYHP-UHFFFAOYSA-N 2 2 350.467 0.653 20 0 FCADLP Cn1c(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000435626606 248003904 /nfs/dbraw/zinc/00/39/04/248003904.db2.gz LAXUMEAVTNRLRB-MRXNPFEDSA-N 2 2 357.458 0.623 20 0 FCADLP Cn1c(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000435626606 248003907 /nfs/dbraw/zinc/00/39/07/248003907.db2.gz LAXUMEAVTNRLRB-MRXNPFEDSA-N 2 2 357.458 0.623 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1C ZINC000435625506 248002937 /nfs/dbraw/zinc/00/29/37/248002937.db2.gz LXHBJNPZVAWBHX-HNNXBMFYSA-N 2 2 368.503 0.916 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1C ZINC000435625506 248002942 /nfs/dbraw/zinc/00/29/42/248002942.db2.gz LXHBJNPZVAWBHX-HNNXBMFYSA-N 2 2 368.503 0.916 20 0 FCADLP Cn1cc[nH+]c1CN(CC(=O)Nc1ccncc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695727 248009190 /nfs/dbraw/zinc/00/91/90/248009190.db2.gz SKBYDZXNKNDECU-MRXNPFEDSA-N 2 2 354.458 0.820 20 0 FCADLP CNS(=O)(=O)CCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435696643 248009983 /nfs/dbraw/zinc/00/99/83/248009983.db2.gz UUZFPPIGADWXBS-AWEZNQCLSA-N 2 2 355.508 0.304 20 0 FCADLP CNS(=O)(=O)CCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435696643 248009988 /nfs/dbraw/zinc/00/99/88/248009988.db2.gz UUZFPPIGADWXBS-AWEZNQCLSA-N 2 2 355.508 0.304 20 0 FCADLP CCn1cc[nH+]c1CN(CCNS(C)(=O)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435680497 248010853 /nfs/dbraw/zinc/01/08/53/248010853.db2.gz GJDPSJHCAOUVDS-AWEZNQCLSA-N 2 2 355.508 0.396 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000436059103 248030807 /nfs/dbraw/zinc/03/08/07/248030807.db2.gz JVXVQRVOWFDDIU-SJORKVTESA-N 2 2 374.485 0.426 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000436059103 248030810 /nfs/dbraw/zinc/03/08/10/248030810.db2.gz JVXVQRVOWFDDIU-SJORKVTESA-N 2 2 374.485 0.426 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000436056826 248031485 /nfs/dbraw/zinc/03/14/85/248031485.db2.gz DOOFSLQNEZKZKT-MRXNPFEDSA-N 2 2 368.428 0.901 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000436056826 248031488 /nfs/dbraw/zinc/03/14/88/248031488.db2.gz DOOFSLQNEZKZKT-MRXNPFEDSA-N 2 2 368.428 0.901 20 0 FCADLP O=S(=O)(CC[NH2+]CC[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000438077082 248074133 /nfs/dbraw/zinc/07/41/33/248074133.db2.gz GKEJSXRFMZMFMT-MRXNPFEDSA-N 2 2 368.503 0.550 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000438214919 248078260 /nfs/dbraw/zinc/07/82/60/248078260.db2.gz MOEGPLTZIYFISC-MRXNPFEDSA-N 2 2 352.479 0.999 20 0 FCADLP O=C(C[N@@H+](CCO)C1CCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000439287024 248118756 /nfs/dbraw/zinc/11/87/56/248118756.db2.gz TZOHLUGHUUOBPM-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@H+](CCO)C1CCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000439287024 248118760 /nfs/dbraw/zinc/11/87/60/248118760.db2.gz TZOHLUGHUUOBPM-UHFFFAOYSA-N 2 2 361.486 0.982 20 0 FCADLP COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000440546497 248196280 /nfs/dbraw/zinc/19/62/80/248196280.db2.gz GZCBQTLNGLKXJD-SFHVURJKSA-N 2 2 367.446 0.482 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789295 248296582 /nfs/dbraw/zinc/29/65/82/248296582.db2.gz JXSDTOSKYPCFRA-KBPBESRZSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789295 248296587 /nfs/dbraw/zinc/29/65/87/248296587.db2.gz JXSDTOSKYPCFRA-KBPBESRZSA-N 2 2 368.503 0.853 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771849 248297139 /nfs/dbraw/zinc/29/71/39/248297139.db2.gz UNNRKVGBGSDXJG-AEFFLSMTSA-N 3 2 372.513 0.935 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771849 248297143 /nfs/dbraw/zinc/29/71/43/248297143.db2.gz UNNRKVGBGSDXJG-AEFFLSMTSA-N 3 2 372.513 0.935 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000270509743 211212274 /nfs/dbraw/zinc/21/22/74/211212274.db2.gz QSMLXMOQMLMYSI-IRXDYDNUSA-N 2 2 372.425 0.511 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000270509743 211212279 /nfs/dbraw/zinc/21/22/79/211212279.db2.gz QSMLXMOQMLMYSI-IRXDYDNUSA-N 2 2 372.425 0.511 20 0 FCADLP COCCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000469997195 250017848 /nfs/dbraw/zinc/01/78/48/250017848.db2.gz WSEIVXWPFVKBDV-UHFFFAOYSA-N 2 2 351.447 0.584 20 0 FCADLP COCCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000469997195 250017852 /nfs/dbraw/zinc/01/78/52/250017852.db2.gz WSEIVXWPFVKBDV-UHFFFAOYSA-N 2 2 351.447 0.584 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000469995903 250019462 /nfs/dbraw/zinc/01/94/62/250019462.db2.gz GVXOAZRSRDNIRQ-UHFFFAOYSA-N 2 2 357.357 0.880 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000469995903 250019466 /nfs/dbraw/zinc/01/94/66/250019466.db2.gz GVXOAZRSRDNIRQ-UHFFFAOYSA-N 2 2 357.357 0.880 20 0 FCADLP CCOc1c(OC)cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000470016048 250021269 /nfs/dbraw/zinc/02/12/69/250021269.db2.gz DNPUQNDCEZOJQS-UHFFFAOYSA-N 2 2 351.447 0.966 20 0 FCADLP CCOc1c(OC)cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000470016048 250021271 /nfs/dbraw/zinc/02/12/71/250021271.db2.gz DNPUQNDCEZOJQS-UHFFFAOYSA-N 2 2 351.447 0.966 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000469763917 250003295 /nfs/dbraw/zinc/00/32/95/250003295.db2.gz MLVPYDZALLBTAY-RBSFLKMASA-N 2 2 352.483 0.861 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000469796103 250006099 /nfs/dbraw/zinc/00/60/99/250006099.db2.gz CRAPMAKHNJZXNL-BZUAXINKSA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000469796103 250006101 /nfs/dbraw/zinc/00/61/01/250006101.db2.gz CRAPMAKHNJZXNL-BZUAXINKSA-N 2 2 350.507 0.905 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000470732553 250058646 /nfs/dbraw/zinc/05/86/46/250058646.db2.gz JTZNVZSFYIORIJ-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000470732553 250058650 /nfs/dbraw/zinc/05/86/50/250058650.db2.gz JTZNVZSFYIORIJ-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000471653474 250114223 /nfs/dbraw/zinc/11/42/23/250114223.db2.gz OLZBYUHEPTVIBT-MRXNPFEDSA-N 2 2 360.524 0.072 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275864 250143818 /nfs/dbraw/zinc/14/38/18/250143818.db2.gz KDAPLHUOLAJDAJ-ZWKOTPCHSA-N 3 2 354.539 0.972 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275864 250143821 /nfs/dbraw/zinc/14/38/21/250143821.db2.gz KDAPLHUOLAJDAJ-ZWKOTPCHSA-N 3 2 354.539 0.972 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472750548 250179928 /nfs/dbraw/zinc/17/99/28/250179928.db2.gz LFHMGBYJPVRTLF-MSOLQXFVSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472750548 250179933 /nfs/dbraw/zinc/17/99/33/250179933.db2.gz LFHMGBYJPVRTLF-MSOLQXFVSA-N 2 2 352.523 0.726 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817819 211088192 /nfs/dbraw/zinc/08/81/92/211088192.db2.gz BEAGTHXDVCUPFV-HUUCEWRRSA-N 2 2 360.462 0.299 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817819 211088196 /nfs/dbraw/zinc/08/81/96/211088196.db2.gz BEAGTHXDVCUPFV-HUUCEWRRSA-N 2 2 360.462 0.299 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnnn1CC1CC1 ZINC000474089059 250269292 /nfs/dbraw/zinc/26/92/92/250269292.db2.gz PZFVDGCJELUHRF-UHFFFAOYSA-N 2 2 364.498 0.251 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nnnn1CC1CC1 ZINC000474089059 250269295 /nfs/dbraw/zinc/26/92/95/250269295.db2.gz PZFVDGCJELUHRF-UHFFFAOYSA-N 2 2 364.498 0.251 20 0 FCADLP CO[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480905963 250294804 /nfs/dbraw/zinc/29/48/04/250294804.db2.gz JZTKWCHZGNNCHA-GJZGRUSLSA-N 2 2 356.492 0.546 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000480917875 250296353 /nfs/dbraw/zinc/29/63/53/250296353.db2.gz PTJZYWWHVIDNMY-OAGGEKHMSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+](C)CC1CC[NH+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000481012018 250306879 /nfs/dbraw/zinc/30/68/79/250306879.db2.gz KRLCNDUEWSMRJK-UHFFFAOYSA-N 2 2 367.515 0.980 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783774 250360400 /nfs/dbraw/zinc/36/04/00/250360400.db2.gz RWICOSOBYAVOGY-WMZOPIPTSA-N 2 2 369.579 0.845 20 0 FCADLP CCC(=O)N[C@H](CCSC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000481993278 250372662 /nfs/dbraw/zinc/37/26/62/250372662.db2.gz NTUZWZQQZYWZJL-OAHLLOKOSA-N 2 2 358.552 0.777 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000484196035 250494441 /nfs/dbraw/zinc/49/44/41/250494441.db2.gz BPCKJFOQVHKBKU-PMPSAXMXSA-N 2 2 354.495 0.155 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000055016762 208004080 /nfs/dbraw/zinc/00/40/80/208004080.db2.gz PVDWBEGWVRUFFG-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000055016762 208004086 /nfs/dbraw/zinc/00/40/86/208004086.db2.gz PVDWBEGWVRUFFG-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000067358395 208022694 /nfs/dbraw/zinc/02/26/94/208022694.db2.gz LWIZMDDUEVSRFJ-UHFFFAOYSA-N 2 2 358.446 0.674 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719305 208038725 /nfs/dbraw/zinc/03/87/25/208038725.db2.gz BBYUCUANIVMYQP-JKSUJKDBSA-N 2 2 350.507 0.907 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719305 208038732 /nfs/dbraw/zinc/03/87/32/208038732.db2.gz BBYUCUANIVMYQP-JKSUJKDBSA-N 2 2 350.507 0.907 20 0 FCADLP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000081556033 208102161 /nfs/dbraw/zinc/10/21/61/208102161.db2.gz COFINGUUXSVPGZ-QGZVFWFLSA-N 2 2 360.502 0.953 20 0 FCADLP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000081556033 208102165 /nfs/dbraw/zinc/10/21/65/208102165.db2.gz COFINGUUXSVPGZ-QGZVFWFLSA-N 2 2 360.502 0.953 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000077593819 208073571 /nfs/dbraw/zinc/07/35/71/208073571.db2.gz CDTJLAAKZJWEHA-DLBZAZTESA-N 2 2 368.522 0.849 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000079236042 208087435 /nfs/dbraw/zinc/08/74/35/208087435.db2.gz FNBQOBDZBBRIJW-SFHVURJKSA-N 2 2 373.501 0.849 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000079236042 208087441 /nfs/dbraw/zinc/08/74/41/208087441.db2.gz FNBQOBDZBBRIJW-SFHVURJKSA-N 2 2 373.501 0.849 20 0 FCADLP Cn1c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2[nH+]c1C1CC1 ZINC000089953026 208124740 /nfs/dbraw/zinc/12/47/40/208124740.db2.gz SJAUSGIRCDQCLZ-LJQANCHMSA-N 2 2 373.457 0.818 20 0 FCADLP Cc1ccsc1C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000091811768 208137440 /nfs/dbraw/zinc/13/74/40/208137440.db2.gz NIVJNZOJTYOILQ-UHFFFAOYSA-N 2 2 358.533 0.666 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000083231736 208106239 /nfs/dbraw/zinc/10/62/39/208106239.db2.gz BIFUQMNZGLAHED-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000085796686 208113493 /nfs/dbraw/zinc/11/34/93/208113493.db2.gz MTNJUTVEOKHUKS-SJORKVTESA-N 2 2 359.536 0.702 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000085796686 208113498 /nfs/dbraw/zinc/11/34/98/208113498.db2.gz MTNJUTVEOKHUKS-SJORKVTESA-N 2 2 359.536 0.702 20 0 FCADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC000097359529 208159311 /nfs/dbraw/zinc/15/93/11/208159311.db2.gz NRGZFXGAWOZJQO-BZUAXINKSA-N 2 2 356.511 0.894 20 0 FCADLP Cc1cc(C(=O)NC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000093171405 208152985 /nfs/dbraw/zinc/15/29/85/208152985.db2.gz PONKYXNHGRLUQH-UHFFFAOYSA-N 2 2 362.474 0.865 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC3CCOCC3)CC2)C1 ZINC000106120323 208208375 /nfs/dbraw/zinc/20/83/75/208208375.db2.gz GCCSGTMOOVLXKE-SFHVURJKSA-N 2 2 368.522 0.008 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC3CCOCC3)CC2)C1 ZINC000106120323 208208381 /nfs/dbraw/zinc/20/83/81/208208381.db2.gz GCCSGTMOOVLXKE-SFHVURJKSA-N 2 2 368.522 0.008 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000106403370 208224028 /nfs/dbraw/zinc/22/40/28/208224028.db2.gz AFAPAVYCPLTGAZ-HXUWFJFHSA-N 2 2 374.529 0.963 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000106403370 208224035 /nfs/dbraw/zinc/22/40/35/208224035.db2.gz AFAPAVYCPLTGAZ-HXUWFJFHSA-N 2 2 374.529 0.963 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000112215887 208293130 /nfs/dbraw/zinc/29/31/30/208293130.db2.gz GCDDGAGFIUZFLN-FGTMMUONSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000114789165 208317118 /nfs/dbraw/zinc/31/71/18/208317118.db2.gz SQSGYRYJTLLGAL-KRWDZBQOSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@]1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCC[NH2+]C1 ZINC000120289663 208379477 /nfs/dbraw/zinc/37/94/77/208379477.db2.gz KYCJRCKDAUQBOO-XLIONFOSSA-N 2 2 361.486 0.960 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655346 208387564 /nfs/dbraw/zinc/38/75/64/208387564.db2.gz JKMLIPWPCQDMGT-MRXNPFEDSA-N 2 2 360.506 0.958 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000120655346 208387567 /nfs/dbraw/zinc/38/75/67/208387567.db2.gz JKMLIPWPCQDMGT-MRXNPFEDSA-N 2 2 360.506 0.958 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1)[NH+]1CCOCC1 ZINC000120780797 208390218 /nfs/dbraw/zinc/39/02/18/208390218.db2.gz FOJVDCCEYOBCKR-OAHLLOKOSA-N 2 2 360.458 0.792 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000266536697 210352114 /nfs/dbraw/zinc/35/21/14/210352114.db2.gz DAXCHTXYJISKIX-HNNXBMFYSA-N 2 2 357.414 0.648 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000266536697 210352118 /nfs/dbraw/zinc/35/21/18/210352118.db2.gz DAXCHTXYJISKIX-HNNXBMFYSA-N 2 2 357.414 0.648 20 0 FCADLP CC(C)OC(=O)CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000266501183 210346077 /nfs/dbraw/zinc/34/60/77/210346077.db2.gz AOAVJRMYAKEJNG-UHFFFAOYSA-N 2 2 363.462 0.777 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000176339298 209003385 /nfs/dbraw/zinc/00/33/85/209003385.db2.gz KGHPCKZYVQQGEA-MSOLQXFVSA-N 2 2 367.538 0.234 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000176047316 208994966 /nfs/dbraw/zinc/99/49/66/208994966.db2.gz GMLUXBGXHDZZPD-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177025356 209012881 /nfs/dbraw/zinc/01/28/81/209012881.db2.gz BZXAVLIAJNAKNU-UHFFFAOYSA-N 2 2 359.430 0.720 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177025356 209012885 /nfs/dbraw/zinc/01/28/85/209012885.db2.gz BZXAVLIAJNAKNU-UHFFFAOYSA-N 2 2 359.430 0.720 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000177559531 209028091 /nfs/dbraw/zinc/02/80/91/209028091.db2.gz OZLGCFONTQMVCC-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177530040 209028553 /nfs/dbraw/zinc/02/85/53/209028553.db2.gz NFZISKSBPKBKOM-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000177530040 209028555 /nfs/dbraw/zinc/02/85/55/209028555.db2.gz NFZISKSBPKBKOM-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP Cc1ccc2ncc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2c1 ZINC000178907475 209065203 /nfs/dbraw/zinc/06/52/03/209065203.db2.gz JNKDWXHKGSRIRJ-MRXNPFEDSA-N 2 2 357.458 0.665 20 0 FCADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179093006 209070878 /nfs/dbraw/zinc/07/08/78/209070878.db2.gz HHMRMOOEFJVHOI-HNNXBMFYSA-N 2 2 363.506 0.568 20 0 FCADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179092992 209071757 /nfs/dbraw/zinc/07/17/57/209071757.db2.gz HHMRMOOEFJVHOI-OAHLLOKOSA-N 2 2 363.506 0.568 20 0 FCADLP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C(=O)NCC[NH+]1CCCCC1 ZINC000412317324 533278146 /nfs/dbraw/zinc/27/81/46/533278146.db2.gz DRAUPRGGNRODOU-CYBMUJFWSA-N 2 2 351.451 0.457 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499593 533490489 /nfs/dbraw/zinc/49/04/89/533490489.db2.gz NLPGVDABCRMTBT-GJZGRUSLSA-N 2 2 363.462 0.226 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499593 533490492 /nfs/dbraw/zinc/49/04/92/533490492.db2.gz NLPGVDABCRMTBT-GJZGRUSLSA-N 2 2 363.462 0.226 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499668 533491504 /nfs/dbraw/zinc/49/15/04/533491504.db2.gz NRBKIMCHWCCWCN-GJZGRUSLSA-N 2 2 363.462 0.369 20 0 FCADLP COC(=O)[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499668 533491508 /nfs/dbraw/zinc/49/15/08/533491508.db2.gz NRBKIMCHWCCWCN-GJZGRUSLSA-N 2 2 363.462 0.369 20 0 FCADLP COC(=O)[C@]1(C)CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000413402605 533578458 /nfs/dbraw/zinc/57/84/58/533578458.db2.gz MQNYCBNAGJFRKF-GOSISDBHSA-N 2 2 354.495 0.997 20 0 FCADLP Cn1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C(C)(C)C)n1 ZINC000179427271 209079151 /nfs/dbraw/zinc/07/91/51/209079151.db2.gz DVMUDICPIDUEFH-INIZCTEOSA-N 2 2 363.506 0.740 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000167572663 229203922 /nfs/dbraw/zinc/20/39/22/229203922.db2.gz SAPKVGXLEMOEDM-OAHLLOKOSA-N 2 2 352.479 0.040 20 0 FCADLP C[NH+](C)Cc1nc(C2(NC(=O)C[NH2+]C[C@@H]3CCCO3)CCCC2)no1 ZINC000166106099 229204797 /nfs/dbraw/zinc/20/47/97/229204797.db2.gz BMYAXJIGPMAJCK-ZDUSSCGKSA-N 2 2 351.451 0.785 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410441850 230081809 /nfs/dbraw/zinc/08/18/09/230081809.db2.gz YSODDZCPQMARGP-MRXNPFEDSA-N 2 2 365.478 0.301 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000410467815 230090846 /nfs/dbraw/zinc/09/08/46/230090846.db2.gz ADJFUGVXCIZJAK-MRXNPFEDSA-N 2 2 359.474 0.591 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410467815 230090850 /nfs/dbraw/zinc/09/08/50/230090850.db2.gz ADJFUGVXCIZJAK-MRXNPFEDSA-N 2 2 359.474 0.591 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000410476156 230095957 /nfs/dbraw/zinc/09/59/57/230095957.db2.gz KMYBOIGSPYHPKR-UHFFFAOYSA-N 2 2 368.522 0.357 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410498037 230103640 /nfs/dbraw/zinc/10/36/40/230103640.db2.gz MGIRVTUHDSTBBY-NVXWUHKLSA-N 2 2 358.442 0.756 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410498037 230103644 /nfs/dbraw/zinc/10/36/44/230103644.db2.gz MGIRVTUHDSTBBY-NVXWUHKLSA-N 2 2 358.442 0.756 20 0 FCADLP C[C@@H]1CCSCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410653218 230172432 /nfs/dbraw/zinc/17/24/32/230172432.db2.gz DCIXIFZRFLDYMX-OAHLLOKOSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1CCSCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410653218 230172435 /nfs/dbraw/zinc/17/24/35/230172435.db2.gz DCIXIFZRFLDYMX-OAHLLOKOSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@H]1COC(C)(C)CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000411000359 230344500 /nfs/dbraw/zinc/34/45/00/230344500.db2.gz CLHZRJCQAPWGRU-HNNXBMFYSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@H]1COC(C)(C)CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000411000359 230344505 /nfs/dbraw/zinc/34/45/05/230344505.db2.gz CLHZRJCQAPWGRU-HNNXBMFYSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)n1nnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000933462303 674258269 /nfs/dbraw/zinc/25/82/69/674258269.db2.gz VWEFSSYJLIYKPH-UHFFFAOYSA-N 2 2 350.471 0.934 20 0 FCADLP CC[N@H+](CCC(=O)NC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000933869149 674278112 /nfs/dbraw/zinc/27/81/12/674278112.db2.gz OHHFSMAQJBGTHZ-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP CC[N@@H+](CCC(=O)NC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000933869149 674278114 /nfs/dbraw/zinc/27/81/14/674278114.db2.gz OHHFSMAQJBGTHZ-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1 ZINC000934054823 674284364 /nfs/dbraw/zinc/28/43/64/674284364.db2.gz UJNYAQJLYKBYRO-MRXNPFEDSA-N 2 2 357.495 0.077 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N2CCOCC2)CCCCC1 ZINC000934054823 674284367 /nfs/dbraw/zinc/28/43/67/674284367.db2.gz UJNYAQJLYKBYRO-MRXNPFEDSA-N 2 2 357.495 0.077 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000189398267 533701838 /nfs/dbraw/zinc/70/18/38/533701838.db2.gz VQPMZGOUWHTNKA-QGZVFWFLSA-N 2 2 361.490 0.119 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934953159 674302923 /nfs/dbraw/zinc/30/29/23/674302923.db2.gz XHGLPQOIVFMUCB-TVFCKZIOSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000934953159 674302928 /nfs/dbraw/zinc/30/29/28/674302928.db2.gz XHGLPQOIVFMUCB-TVFCKZIOSA-N 2 2 351.491 0.809 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000299679185 488867073 /nfs/dbraw/zinc/86/70/73/488867073.db2.gz WVCVJLKUBRXXEJ-UHFFFAOYSA-N 2 2 369.433 0.400 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000299693992 488868198 /nfs/dbraw/zinc/86/81/98/488868198.db2.gz OAGMCPBVXSLRJR-OAHLLOKOSA-N 2 2 363.462 0.344 20 0 FCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000302033794 488886711 /nfs/dbraw/zinc/88/67/11/488886711.db2.gz OFNJVFUPQUKSRH-UHFFFAOYSA-N 2 2 370.438 0.572 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)C1 ZINC000302038011 488886757 /nfs/dbraw/zinc/88/67/57/488886757.db2.gz QFLIDQAJEQPPDB-HUUCEWRRSA-N 2 2 359.474 0.807 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000287734641 488899419 /nfs/dbraw/zinc/89/94/19/488899419.db2.gz KQSXFGPZNRXBLX-INIZCTEOSA-N 2 2 373.501 0.887 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000287937751 488923625 /nfs/dbraw/zinc/92/36/25/488923625.db2.gz SBDCOFAYQRENNQ-ATNYBXOESA-N 2 2 374.489 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000287937751 488923628 /nfs/dbraw/zinc/92/36/28/488923628.db2.gz SBDCOFAYQRENNQ-ATNYBXOESA-N 2 2 374.489 0.866 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000288205989 488956400 /nfs/dbraw/zinc/95/64/00/488956400.db2.gz OIYZYKUXEXWWGG-UHFFFAOYSA-N 2 2 361.421 0.766 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000288205989 488956401 /nfs/dbraw/zinc/95/64/01/488956401.db2.gz OIYZYKUXEXWWGG-UHFFFAOYSA-N 2 2 361.421 0.766 20 0 FCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025498590 487666852 /nfs/dbraw/zinc/66/68/52/487666852.db2.gz VQWXXLPOXUDBTA-CQSZACIVSA-N 2 2 357.462 0.744 20 0 FCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025498590 487666859 /nfs/dbraw/zinc/66/68/59/487666859.db2.gz VQWXXLPOXUDBTA-CQSZACIVSA-N 2 2 357.462 0.744 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000043311029 487897627 /nfs/dbraw/zinc/89/76/27/487897627.db2.gz SISRIKQNOHATNJ-UHFFFAOYSA-N 2 2 370.457 0.770 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000048549257 488072603 /nfs/dbraw/zinc/07/26/03/488072603.db2.gz VYGDHCGWVSDVDJ-MRXNPFEDSA-N 2 2 372.477 0.573 20 0 FCADLP CC(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000050990771 488119584 /nfs/dbraw/zinc/11/95/84/488119584.db2.gz WTHAABUZUVKHBN-HNNXBMFYSA-N 2 2 359.474 0.719 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763088 488145193 /nfs/dbraw/zinc/14/51/93/488145193.db2.gz GKZLRUXJOPDSPV-QGZVFWFLSA-N 2 2 360.502 0.748 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055086741 488235814 /nfs/dbraw/zinc/23/58/14/488235814.db2.gz NEJIBFZCUVYROK-UHFFFAOYSA-N 2 2 352.504 0.950 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)CC1 ZINC000068279050 488363085 /nfs/dbraw/zinc/36/30/85/488363085.db2.gz LDNCWBAUSSQUHH-UHFFFAOYSA-N 2 2 355.442 0.961 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000069142120 488371322 /nfs/dbraw/zinc/37/13/22/488371322.db2.gz DIJWEBFURCLLKV-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000069142120 488371323 /nfs/dbraw/zinc/37/13/23/488371323.db2.gz DIJWEBFURCLLKV-DLBZAZTESA-N 2 2 366.506 0.015 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859173 488374220 /nfs/dbraw/zinc/37/42/20/488374220.db2.gz RDSUJJHUFZQPNQ-BRWVUGGUSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859173 488374221 /nfs/dbraw/zinc/37/42/21/488374221.db2.gz RDSUJJHUFZQPNQ-BRWVUGGUSA-N 2 2 366.506 0.143 20 0 FCADLP COCCNC(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000070703448 488375328 /nfs/dbraw/zinc/37/53/28/488375328.db2.gz XAPWNAXNDVPDEY-UHFFFAOYSA-N 2 2 357.458 0.753 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000073664810 488385605 /nfs/dbraw/zinc/38/56/05/488385605.db2.gz BHCXOTHEIXGBHF-JKSUJKDBSA-N 2 2 365.522 0.855 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccsc1 ZINC000073658645 488385633 /nfs/dbraw/zinc/38/56/33/488385633.db2.gz JPNFOXQPCWGICH-WBVHZDCISA-N 2 2 370.519 0.733 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073664801 488385793 /nfs/dbraw/zinc/38/57/93/488385793.db2.gz BHCXOTHEIXGBHF-HOTGVXAUSA-N 2 2 365.522 0.855 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1=O ZINC000073733549 488386166 /nfs/dbraw/zinc/38/61/66/488386166.db2.gz ZPDARYAXLRTWCU-INIZCTEOSA-N 2 2 355.442 0.899 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000182685186 488388990 /nfs/dbraw/zinc/38/89/90/488388990.db2.gz SGZGOSOTWJCYAV-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000182685186 488388993 /nfs/dbraw/zinc/38/89/93/488388993.db2.gz SGZGOSOTWJCYAV-UHFFFAOYSA-N 2 2 355.527 0.376 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1=O ZINC000074256439 488389627 /nfs/dbraw/zinc/38/96/27/488389627.db2.gz RYFUDXCKNBBLPC-SFHVURJKSA-N 2 2 369.469 0.958 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074877868 488394419 /nfs/dbraw/zinc/39/44/19/488394419.db2.gz JJFYCEVCCZMPAG-FUHWJXTLSA-N 2 2 351.539 0.996 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877868 488394420 /nfs/dbraw/zinc/39/44/20/488394420.db2.gz JJFYCEVCCZMPAG-FUHWJXTLSA-N 2 2 351.539 0.996 20 0 FCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000184111970 488395200 /nfs/dbraw/zinc/39/52/00/488395200.db2.gz ACXLVBITPICRIF-OAHLLOKOSA-N 2 2 356.426 0.742 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000185355800 488400895 /nfs/dbraw/zinc/40/08/95/488400895.db2.gz YHSNIMZADIVFHC-IRXDYDNUSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000185355800 488400898 /nfs/dbraw/zinc/40/08/98/488400898.db2.gz YHSNIMZADIVFHC-IRXDYDNUSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000185826057 488403066 /nfs/dbraw/zinc/40/30/66/488403066.db2.gz LOIAFEXITRWDNF-IAGOWNOFSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000185826057 488403069 /nfs/dbraw/zinc/40/30/69/488403069.db2.gz LOIAFEXITRWDNF-IAGOWNOFSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076820865 488407541 /nfs/dbraw/zinc/40/75/41/488407541.db2.gz XFFNPAZILNVIEO-WHEFHEQHSA-N 2 2 364.515 0.962 20 0 FCADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076820865 488407542 /nfs/dbraw/zinc/40/75/42/488407542.db2.gz XFFNPAZILNVIEO-WHEFHEQHSA-N 2 2 364.515 0.962 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000192496795 488422884 /nfs/dbraw/zinc/42/28/84/488422884.db2.gz ZIQIHVDXIVNBAY-LRYGQEGESA-N 2 2 368.522 0.897 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)([NH+]2CCOCC2)C1 ZINC000192496795 488422887 /nfs/dbraw/zinc/42/28/87/488422887.db2.gz ZIQIHVDXIVNBAY-LRYGQEGESA-N 2 2 368.522 0.897 20 0 FCADLP CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000193348630 488426533 /nfs/dbraw/zinc/42/65/33/488426533.db2.gz COAMHYYOMXNONC-HNNXBMFYSA-N 2 2 359.474 0.577 20 0 FCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000193618987 488428433 /nfs/dbraw/zinc/42/84/33/488428433.db2.gz CFTKKWWKQOJWIS-DOTOQJQBSA-N 2 2 366.506 0.252 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569851224 491198784 /nfs/dbraw/zinc/19/87/84/491198784.db2.gz OQBQOVIWBQZTCL-PBHICJAKSA-N 2 2 350.488 0.770 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)NCC(F)(F)F ZINC000083212989 488446901 /nfs/dbraw/zinc/44/69/01/488446901.db2.gz RCOOCLLYJVOUMI-LBPRGKRZSA-N 2 2 366.384 0.419 20 0 FCADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)NCC(F)(F)F ZINC000083212989 488446902 /nfs/dbraw/zinc/44/69/02/488446902.db2.gz RCOOCLLYJVOUMI-LBPRGKRZSA-N 2 2 366.384 0.419 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)n1C ZINC000083738442 488449205 /nfs/dbraw/zinc/44/92/05/488449205.db2.gz KZHYXFXLKBYATQ-UHFFFAOYSA-N 2 2 350.467 0.492 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000236620964 488453249 /nfs/dbraw/zinc/45/32/49/488453249.db2.gz QGWWKPBEVDOLCT-UHFFFAOYSA-N 2 2 358.486 0.588 20 0 FCADLP CC(C)C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000236632427 488453437 /nfs/dbraw/zinc/45/34/37/488453437.db2.gz RVEDQJVWPFRUKH-MRXNPFEDSA-N 2 2 364.494 0.679 20 0 FCADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH2+]CC1=O ZINC000236903458 488454176 /nfs/dbraw/zinc/45/41/76/488454176.db2.gz MQKSLEHVNGTGKO-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH2+]CC1=O ZINC000236903458 488454178 /nfs/dbraw/zinc/45/41/78/488454178.db2.gz MQKSLEHVNGTGKO-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c[nH+]1 ZINC000268894067 488455325 /nfs/dbraw/zinc/45/53/25/488455325.db2.gz JHXSSKFLGCUCRW-INIZCTEOSA-N 2 2 374.489 0.596 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c[nH+]1 ZINC000268894067 488455327 /nfs/dbraw/zinc/45/53/27/488455327.db2.gz JHXSSKFLGCUCRW-INIZCTEOSA-N 2 2 374.489 0.596 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237499265 488455370 /nfs/dbraw/zinc/45/53/70/488455370.db2.gz PCAHUJJQGPWSOF-DOTOQJQBSA-N 2 2 360.458 0.078 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237431960 488455565 /nfs/dbraw/zinc/45/55/65/488455565.db2.gz PCAHUJJQGPWSOF-NVXWUHKLSA-N 2 2 360.458 0.078 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237420209 488455727 /nfs/dbraw/zinc/45/57/27/488455727.db2.gz KJPDWMFNTVNODB-SJLPKXTDSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237472089 488455771 /nfs/dbraw/zinc/45/57/71/488455771.db2.gz OUYFYLRMHFIGFP-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237472089 488455774 /nfs/dbraw/zinc/45/57/74/488455774.db2.gz OUYFYLRMHFIGFP-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP Cn1c2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2[nH+]c1C1CC1 ZINC000089941087 488458615 /nfs/dbraw/zinc/45/86/15/488458615.db2.gz MLRVGLJALKRNPK-ZDUSSCGKSA-N 2 2 359.430 0.428 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000238094935 488458851 /nfs/dbraw/zinc/45/88/51/488458851.db2.gz DVAOISWYPDMQBG-GOSISDBHSA-N 2 2 366.469 0.602 20 0 FCADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000090027038 488459803 /nfs/dbraw/zinc/45/98/03/488459803.db2.gz AEUVRJDOZIPAQY-HOCLYGCPSA-N 2 2 372.535 0.243 20 0 FCADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000090027038 488459807 /nfs/dbraw/zinc/45/98/07/488459807.db2.gz AEUVRJDOZIPAQY-HOCLYGCPSA-N 2 2 372.535 0.243 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000245598718 488465539 /nfs/dbraw/zinc/46/55/39/488465539.db2.gz LZDKDMYBIYQLBZ-ZFWWWQNUSA-N 2 2 356.492 0.547 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000245598718 488465540 /nfs/dbraw/zinc/46/55/40/488465540.db2.gz LZDKDMYBIYQLBZ-ZFWWWQNUSA-N 2 2 356.492 0.547 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091633587 488467088 /nfs/dbraw/zinc/46/70/88/488467088.db2.gz YJSKBDRQSCZPFK-GFCCVEGCSA-N 2 2 350.385 0.469 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091633587 488467090 /nfs/dbraw/zinc/46/70/90/488467090.db2.gz YJSKBDRQSCZPFK-GFCCVEGCSA-N 2 2 350.385 0.469 20 0 FCADLP CC1(C)[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]2CCCO[C@H]21 ZINC000245953107 488468583 /nfs/dbraw/zinc/46/85/83/488468583.db2.gz WUWQCNKYHFHIPV-CYGHRXIMSA-N 2 2 351.491 0.713 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246442033 488472721 /nfs/dbraw/zinc/47/27/21/488472721.db2.gz NWZUENUQUNHEHA-YYIAUSFCSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246442033 488472723 /nfs/dbraw/zinc/47/27/23/488472723.db2.gz NWZUENUQUNHEHA-YYIAUSFCSA-N 2 2 356.511 0.894 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000246473650 488473111 /nfs/dbraw/zinc/47/31/11/488473111.db2.gz QXJZZQXFSWASIW-ULQDDVLXSA-N 2 2 356.511 0.752 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000269207107 488479151 /nfs/dbraw/zinc/47/91/51/488479151.db2.gz MKNWZTHBBUBCPV-QGZVFWFLSA-N 2 2 372.469 0.452 20 0 FCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000269230282 488480809 /nfs/dbraw/zinc/48/08/09/488480809.db2.gz CGLAVUIGDBTUHV-QGZVFWFLSA-N 2 2 363.458 0.392 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247076590 488481141 /nfs/dbraw/zinc/48/11/41/488481141.db2.gz HYIRRZUFVUURGF-RDJZCZTQSA-N 2 2 356.536 0.835 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247076590 488481144 /nfs/dbraw/zinc/48/11/44/488481144.db2.gz HYIRRZUFVUURGF-RDJZCZTQSA-N 2 2 356.536 0.835 20 0 FCADLP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269257701 488483221 /nfs/dbraw/zinc/48/32/21/488483221.db2.gz ULCSMGOFKNLXMS-SFHVURJKSA-N 3 2 359.474 0.496 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269257701 488483224 /nfs/dbraw/zinc/48/32/24/488483224.db2.gz ULCSMGOFKNLXMS-SFHVURJKSA-N 3 2 359.474 0.496 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H]1C ZINC000248367864 488495548 /nfs/dbraw/zinc/49/55/48/488495548.db2.gz UNXYBPPTEAJIIE-KGLIPLIRSA-N 2 2 357.462 0.742 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000103168818 488499956 /nfs/dbraw/zinc/49/99/56/488499956.db2.gz VYUIYXSDGBGKKC-INIZCTEOSA-N 2 2 367.515 0.866 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248747471 488502278 /nfs/dbraw/zinc/50/22/78/488502278.db2.gz DTXXARQLQJZFHD-BZUAXINKSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000103508118 488502499 /nfs/dbraw/zinc/50/24/99/488502499.db2.gz MPTSXBYGAAGQMP-CQSZACIVSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1O ZINC000249602494 488512938 /nfs/dbraw/zinc/51/29/38/488512938.db2.gz YSWOVRRDAUDDGO-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1O ZINC000249602494 488512941 /nfs/dbraw/zinc/51/29/41/488512941.db2.gz YSWOVRRDAUDDGO-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106524993 488515281 /nfs/dbraw/zinc/51/52/81/488515281.db2.gz DUFWVISHORERIY-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106524993 488515282 /nfs/dbraw/zinc/51/52/82/488515282.db2.gz DUFWVISHORERIY-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP COC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000251938348 488517476 /nfs/dbraw/zinc/51/74/76/488517476.db2.gz ULOUMVQATPFJHI-SJORKVTESA-N 2 2 362.474 0.856 20 0 FCADLP COC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000251938348 488517479 /nfs/dbraw/zinc/51/74/79/488517479.db2.gz ULOUMVQATPFJHI-SJORKVTESA-N 2 2 362.474 0.856 20 0 FCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000253550785 488521654 /nfs/dbraw/zinc/52/16/54/488521654.db2.gz XWIZNJKLHSMMPV-NXHRZFHOSA-N 2 2 353.507 0.959 20 0 FCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000261777834 488535733 /nfs/dbraw/zinc/53/57/33/488535733.db2.gz SALRCTLENAQMGG-MRXNPFEDSA-N 2 2 369.473 0.354 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1C ZINC000261813447 488537202 /nfs/dbraw/zinc/53/72/02/488537202.db2.gz XCYOSWWWZTXUHB-INIZCTEOSA-N 2 2 354.476 0.512 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1C ZINC000261813447 488537205 /nfs/dbraw/zinc/53/72/05/488537205.db2.gz XCYOSWWWZTXUHB-INIZCTEOSA-N 2 2 354.476 0.512 20 0 FCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000114368265 488539719 /nfs/dbraw/zinc/53/97/19/488539719.db2.gz BTWVLGNLKCNIST-MRXNPFEDSA-N 2 2 361.490 0.674 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261939043 488542694 /nfs/dbraw/zinc/54/26/94/488542694.db2.gz ZYUUPXAQWUSSAL-HZPDHXFCSA-N 2 2 354.495 0.062 20 0 FCADLP Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261965423 488543973 /nfs/dbraw/zinc/54/39/73/488543973.db2.gz PSIWWZYIQFISBC-GFCCVEGCSA-N 2 2 370.295 0.826 20 0 FCADLP Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261965423 488543974 /nfs/dbraw/zinc/54/39/74/488543974.db2.gz PSIWWZYIQFISBC-GFCCVEGCSA-N 2 2 370.295 0.826 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271780006 488546007 /nfs/dbraw/zinc/54/60/07/488546007.db2.gz LLAOZVPVZBDHCW-AWEZNQCLSA-N 2 2 350.467 0.504 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271780006 488546010 /nfs/dbraw/zinc/54/60/10/488546010.db2.gz LLAOZVPVZBDHCW-AWEZNQCLSA-N 2 2 350.467 0.504 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000118897677 488555025 /nfs/dbraw/zinc/55/50/25/488555025.db2.gz SQAYYBAEIILIDB-MRXNPFEDSA-N 2 2 374.485 0.915 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000118897677 488555027 /nfs/dbraw/zinc/55/50/27/488555027.db2.gz SQAYYBAEIILIDB-MRXNPFEDSA-N 2 2 374.485 0.915 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569942803 491205680 /nfs/dbraw/zinc/20/56/80/491205680.db2.gz XTEAMUYMDFFGNJ-QZTJIDSGSA-N 2 2 374.485 0.473 20 0 FCADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569942803 491205682 /nfs/dbraw/zinc/20/56/82/491205682.db2.gz XTEAMUYMDFFGNJ-QZTJIDSGSA-N 2 2 374.485 0.473 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000271979295 488556804 /nfs/dbraw/zinc/55/68/04/488556804.db2.gz MHPVRFRRRUSNMY-KRWDZBQOSA-N 2 2 361.442 0.496 20 0 FCADLP CC(C)(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)NS(C)(=O)=O ZINC000119428751 488557072 /nfs/dbraw/zinc/55/70/72/488557072.db2.gz WHTZPDCKJWZNES-UHFFFAOYSA-N 2 2 361.431 0.950 20 0 FCADLP C[C@@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000120360686 488561255 /nfs/dbraw/zinc/56/12/55/488561255.db2.gz SFECUAUMZQDISX-LSDHHAIUSA-N 2 2 354.476 0.300 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000121225120 488565830 /nfs/dbraw/zinc/56/58/30/488565830.db2.gz IJXDCNNLDHTGHC-QGZVFWFLSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nnc[nH]1 ZINC000272299993 488571810 /nfs/dbraw/zinc/57/18/10/488571810.db2.gz CXPLYVYKDYLMTG-AWEZNQCLSA-N 2 2 358.450 0.772 20 0 FCADLP Cc1cc(C[NH+]2CCN(Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)on1 ZINC000122381584 488577776 /nfs/dbraw/zinc/57/77/76/488577776.db2.gz BEVFQVQVCLHOSS-UHFFFAOYSA-N 2 2 371.489 0.843 20 0 FCADLP C[NH2+][C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(C)c1 ZINC000262594835 488579490 /nfs/dbraw/zinc/57/94/90/488579490.db2.gz WWEPKVMFYAZDLB-SFHVURJKSA-N 2 2 357.458 0.829 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000262682786 488585851 /nfs/dbraw/zinc/58/58/51/488585851.db2.gz WRGVYDSOPMVTNW-QGZVFWFLSA-N 2 2 354.458 0.723 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262702090 488587137 /nfs/dbraw/zinc/58/71/37/488587137.db2.gz CKYBGYMFMSTIDB-MRXNPFEDSA-N 2 2 370.457 0.969 20 0 FCADLP C[C@@]1(O)CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000124847793 488596247 /nfs/dbraw/zinc/59/62/47/488596247.db2.gz APQPVQBTMPQUTE-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@@]1(O)CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000124847793 488596249 /nfs/dbraw/zinc/59/62/49/488596249.db2.gz APQPVQBTMPQUTE-HXUWFJFHSA-N 2 2 361.486 0.982 20 0 FCADLP CC[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000262853314 488597010 /nfs/dbraw/zinc/59/70/10/488597010.db2.gz XKPDTGXXPJTOQW-SJORKVTESA-N 2 2 367.515 0.702 20 0 FCADLP CC[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000262853314 488597012 /nfs/dbraw/zinc/59/70/12/488597012.db2.gz XKPDTGXXPJTOQW-SJORKVTESA-N 2 2 367.515 0.702 20 0 FCADLP C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000125194385 488598754 /nfs/dbraw/zinc/59/87/54/488598754.db2.gz HYIOWORCCIXWHR-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)c1 ZINC000262948553 488600377 /nfs/dbraw/zinc/60/03/77/488600377.db2.gz VFRSTSWJMCJRBK-INIZCTEOSA-N 2 2 351.447 0.712 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263294142 488609345 /nfs/dbraw/zinc/60/93/45/488609345.db2.gz XMGCSQCVRMYWJL-ZACQAIPSSA-N 2 2 358.490 0.636 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263297866 488609364 /nfs/dbraw/zinc/60/93/64/488609364.db2.gz WQLPCATXNRBFRR-MDZRGWNJSA-N 2 2 366.506 0.286 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)CC1 ZINC000563066416 491212029 /nfs/dbraw/zinc/21/20/29/491212029.db2.gz OUWOYMUEXIBDGF-UHFFFAOYSA-N 2 2 369.506 0.973 20 0 FCADLP CC(=O)N1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000127915635 488620541 /nfs/dbraw/zinc/62/05/41/488620541.db2.gz XDXGMEWQHQMYKI-XNHLSEOASA-N 2 2 363.506 0.560 20 0 FCADLP CC(=O)N1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000127915635 488620543 /nfs/dbraw/zinc/62/05/43/488620543.db2.gz XDXGMEWQHQMYKI-XNHLSEOASA-N 2 2 363.506 0.560 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c[nH+]1 ZINC000128735819 488626569 /nfs/dbraw/zinc/62/65/69/488626569.db2.gz RPZYSBXAHJQDFC-MRXNPFEDSA-N 2 2 361.490 0.954 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000273052590 488627935 /nfs/dbraw/zinc/62/79/35/488627935.db2.gz HYGTWTNLVNUFCE-KRWDZBQOSA-N 2 2 371.485 0.947 20 0 FCADLP CCN(C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000130644219 488639491 /nfs/dbraw/zinc/63/94/91/488639491.db2.gz XQPBSCVPNRZWIC-HOCLYGCPSA-N 2 2 370.519 0.938 20 0 FCADLP CCN(C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000130644219 488639492 /nfs/dbraw/zinc/63/94/92/488639492.db2.gz XQPBSCVPNRZWIC-HOCLYGCPSA-N 2 2 370.519 0.938 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000264189708 488653448 /nfs/dbraw/zinc/65/34/48/488653448.db2.gz FDOQRKCHLYVEDN-BZUAXINKSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000264189708 488653450 /nfs/dbraw/zinc/65/34/50/488653450.db2.gz FDOQRKCHLYVEDN-BZUAXINKSA-N 2 2 359.474 0.928 20 0 FCADLP CC[C@@](C)([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(N)=O ZINC000133240537 488658446 /nfs/dbraw/zinc/65/84/46/488658446.db2.gz XPWWXSPLRCVNGL-LJQANCHMSA-N 2 2 362.474 0.379 20 0 FCADLP C[NH+](C)CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000133535429 488660699 /nfs/dbraw/zinc/66/06/99/488660699.db2.gz ACXVCAPMXFVUHR-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP O=C(C[C@H]1CSCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000133846289 488662408 /nfs/dbraw/zinc/66/24/08/488662408.db2.gz HBQZTVKSEOQSKT-HNNXBMFYSA-N 2 2 354.520 0.142 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC12CCOCC2 ZINC000570093230 491216143 /nfs/dbraw/zinc/21/61/43/491216143.db2.gz LJGBFYHXRLBAOK-CQSZACIVSA-N 2 2 358.442 0.659 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC12CCOCC2 ZINC000570093230 491216146 /nfs/dbraw/zinc/21/61/46/491216146.db2.gz LJGBFYHXRLBAOK-CQSZACIVSA-N 2 2 358.442 0.659 20 0 FCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000134314676 488666503 /nfs/dbraw/zinc/66/65/03/488666503.db2.gz KNPQSFVWSXSSGQ-MRXNPFEDSA-N 2 2 372.535 0.132 20 0 FCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000134314676 488666505 /nfs/dbraw/zinc/66/65/05/488666505.db2.gz KNPQSFVWSXSSGQ-MRXNPFEDSA-N 2 2 372.535 0.132 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](NC(=O)NC4CC4)C3)cn2)CC1 ZINC000273718734 488668673 /nfs/dbraw/zinc/66/86/73/488668673.db2.gz HTHUFCICUDSFEG-INIZCTEOSA-N 2 2 359.478 0.264 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](NC(=O)NC4CC4)C3)cn2)CC1 ZINC000273718734 488668675 /nfs/dbraw/zinc/66/86/75/488668675.db2.gz HTHUFCICUDSFEG-INIZCTEOSA-N 2 2 359.478 0.264 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000264485531 488678421 /nfs/dbraw/zinc/67/84/21/488678421.db2.gz OJVONXKKGYODEU-KRWDZBQOSA-N 2 2 374.489 0.249 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000264485531 488678422 /nfs/dbraw/zinc/67/84/22/488678422.db2.gz OJVONXKKGYODEU-KRWDZBQOSA-N 2 2 374.489 0.249 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000137109477 488680208 /nfs/dbraw/zinc/68/02/08/488680208.db2.gz JETMVJGRZGBAOZ-NJAFHUGGSA-N 2 2 368.522 0.774 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000264522518 488681889 /nfs/dbraw/zinc/68/18/89/488681889.db2.gz WKHRUZKODMGMGE-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000264522518 488681891 /nfs/dbraw/zinc/68/18/91/488681891.db2.gz WKHRUZKODMGMGE-IBGZPJMESA-N 2 2 360.502 0.885 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1)c1ccccc1F ZINC000570108234 491217050 /nfs/dbraw/zinc/21/70/50/491217050.db2.gz SASQGPFLEWCLME-AWEZNQCLSA-N 2 2 363.437 0.245 20 0 FCADLP O=C(C[N@@H+](CCO)CCCO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000264623084 488691512 /nfs/dbraw/zinc/69/15/12/488691512.db2.gz OLMQSDSIOFHMRA-UHFFFAOYSA-N 2 2 367.515 0.851 20 0 FCADLP O=C(C[N@H+](CCO)CCCO)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000264623084 488691514 /nfs/dbraw/zinc/69/15/14/488691514.db2.gz OLMQSDSIOFHMRA-UHFFFAOYSA-N 2 2 367.515 0.851 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000152291164 488716201 /nfs/dbraw/zinc/71/62/01/488716201.db2.gz QPPIDLNQNBFHCD-GDBMZVCRSA-N 2 2 362.478 0.686 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842954 488718379 /nfs/dbraw/zinc/71/83/79/488718379.db2.gz LJYGMUWIHYXKNG-SJORKVTESA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842954 488718381 /nfs/dbraw/zinc/71/83/81/488718381.db2.gz LJYGMUWIHYXKNG-SJORKVTESA-N 2 2 351.470 0.973 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CN1CC[NH2+]CC1=O ZINC000563090645 491214999 /nfs/dbraw/zinc/21/49/99/491214999.db2.gz SVTYPFYTCXTNSX-UHFFFAOYSA-N 2 2 354.401 0.287 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000152874459 488724144 /nfs/dbraw/zinc/72/41/44/488724144.db2.gz JJDIGTBJZQDABL-GJZGRUSLSA-N 2 2 369.473 0.744 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153601584 488733015 /nfs/dbraw/zinc/73/30/15/488733015.db2.gz FWAMWGJMIIGORX-FUHWJXTLSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153601584 488733017 /nfs/dbraw/zinc/73/30/17/488733017.db2.gz FWAMWGJMIIGORX-FUHWJXTLSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601584 488733019 /nfs/dbraw/zinc/73/30/19/488733019.db2.gz FWAMWGJMIIGORX-FUHWJXTLSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601584 488733020 /nfs/dbraw/zinc/73/30/20/488733020.db2.gz FWAMWGJMIIGORX-FUHWJXTLSA-N 2 2 373.501 0.852 20 0 FCADLP CN1CCN(c2cc(N3CC[NH+](C4CCOCC4)CC3)nc[nH+]2)CC1=O ZINC000274858688 488738348 /nfs/dbraw/zinc/73/83/48/488738348.db2.gz CKXYWOXZBKTZGH-UHFFFAOYSA-N 2 2 360.462 0.056 20 0 FCADLP CCn1cc([C@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000570156673 491220219 /nfs/dbraw/zinc/22/02/19/491220219.db2.gz KAKRRZAKFUZQOO-YECZKDOJSA-N 2 2 352.479 0.793 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000155366481 488754843 /nfs/dbraw/zinc/75/48/43/488754843.db2.gz YNKRKARVIFCXHY-OAHLLOKOSA-N 2 2 360.458 0.613 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000155929161 488760357 /nfs/dbraw/zinc/76/03/57/488760357.db2.gz WPTHOAKGZZPHTM-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)ccn2)CC1 ZINC000156131579 488762677 /nfs/dbraw/zinc/76/26/77/488762677.db2.gz DMFJDKLWGSXKEI-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP Cn1cc([C@H](CO)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000275178639 488769520 /nfs/dbraw/zinc/76/95/20/488769520.db2.gz MPDIIUBJVLTLKV-INIZCTEOSA-N 2 2 363.487 0.449 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000275186120 488770373 /nfs/dbraw/zinc/77/03/73/488770373.db2.gz BXCQSCVJYOBQNS-UHFFFAOYSA-N 2 2 350.488 0.670 20 0 FCADLP CC(C)(O)CN1CC[NH+](CCCCN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000157815558 488774205 /nfs/dbraw/zinc/77/42/05/488774205.db2.gz UQBQEUNAASWUPY-UHFFFAOYSA-N 2 2 370.582 0.544 20 0 FCADLP O=C(CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1)N1CC[NH2+]CC1 ZINC000159338507 488784908 /nfs/dbraw/zinc/78/49/08/488784908.db2.gz FDGQLAXQMDLHJK-UHFFFAOYSA-N 2 2 366.487 0.850 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000563150982 491221973 /nfs/dbraw/zinc/22/19/73/491221973.db2.gz JZZCIXYBXCLKQR-MRXNPFEDSA-N 2 2 374.441 0.308 20 0 FCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000563150982 491221976 /nfs/dbraw/zinc/22/19/76/491221976.db2.gz JZZCIXYBXCLKQR-MRXNPFEDSA-N 2 2 374.441 0.308 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000162216527 488801393 /nfs/dbraw/zinc/80/13/93/488801393.db2.gz HNCYWFMOEUYUSQ-HKUYNNGSSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162216527 488801396 /nfs/dbraw/zinc/80/13/96/488801396.db2.gz HNCYWFMOEUYUSQ-HKUYNNGSSA-N 2 2 361.486 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000162285616 488801467 /nfs/dbraw/zinc/80/14/67/488801467.db2.gz DWOAGKNPUYIBAR-SJORKVTESA-N 2 2 374.485 0.405 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000162285616 488801469 /nfs/dbraw/zinc/80/14/69/488801469.db2.gz DWOAGKNPUYIBAR-SJORKVTESA-N 2 2 374.485 0.405 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C[NH+]1CCOCC1 ZINC000163539984 488807944 /nfs/dbraw/zinc/80/79/44/488807944.db2.gz QJSGCTAPFWWJOF-QGZVFWFLSA-N 2 2 361.490 0.877 20 0 FCADLP CO[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000170819023 488816576 /nfs/dbraw/zinc/81/65/76/488816576.db2.gz KAXSNBIHANMMOW-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000170819023 488816578 /nfs/dbraw/zinc/81/65/78/488816578.db2.gz KAXSNBIHANMMOW-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP CO[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000170819021 488816629 /nfs/dbraw/zinc/81/66/29/488816629.db2.gz KAXSNBIHANMMOW-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP CO[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000170819021 488816631 /nfs/dbraw/zinc/81/66/31/488816631.db2.gz KAXSNBIHANMMOW-AWEZNQCLSA-N 2 2 373.461 0.123 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170900622 488817822 /nfs/dbraw/zinc/81/78/22/488817822.db2.gz LTCMHSHAFLVLRN-HNNXBMFYSA-N 2 2 357.462 0.886 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000170900622 488817824 /nfs/dbraw/zinc/81/78/24/488817824.db2.gz LTCMHSHAFLVLRN-HNNXBMFYSA-N 2 2 357.462 0.886 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000171224558 488821104 /nfs/dbraw/zinc/82/11/04/488821104.db2.gz BFORIIKQKMGGJQ-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000171224558 488821106 /nfs/dbraw/zinc/82/11/06/488821106.db2.gz BFORIIKQKMGGJQ-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CC[N@H+](CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000171251687 488821636 /nfs/dbraw/zinc/82/16/36/488821636.db2.gz SFBPBZLQUVPYJO-UHFFFAOYSA-N 2 2 372.477 0.679 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000171251687 488821637 /nfs/dbraw/zinc/82/16/37/488821637.db2.gz SFBPBZLQUVPYJO-UHFFFAOYSA-N 2 2 372.477 0.679 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000171898721 488828361 /nfs/dbraw/zinc/82/83/61/488828361.db2.gz DMHZHXSCJMTVQS-QGZVFWFLSA-N 2 2 356.511 0.707 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000171898721 488828362 /nfs/dbraw/zinc/82/83/62/488828362.db2.gz DMHZHXSCJMTVQS-QGZVFWFLSA-N 2 2 356.511 0.707 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)CC2CCC2)CC1 ZINC000171970958 488829050 /nfs/dbraw/zinc/82/90/50/488829050.db2.gz BVSLJJZPIBVJSN-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)CC2CCC2)CC1 ZINC000171970958 488829052 /nfs/dbraw/zinc/82/90/52/488829052.db2.gz BVSLJJZPIBVJSN-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000172181364 488830784 /nfs/dbraw/zinc/83/07/84/488830784.db2.gz SRGHJYSMAIIFQL-IAGOWNOFSA-N 2 2 360.458 0.851 20 0 FCADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000172181364 488830785 /nfs/dbraw/zinc/83/07/85/488830785.db2.gz SRGHJYSMAIIFQL-IAGOWNOFSA-N 2 2 360.458 0.851 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000172295272 488832288 /nfs/dbraw/zinc/83/22/88/488832288.db2.gz PPWKNNYNUALDGB-INIZCTEOSA-N 2 2 351.447 0.397 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000172295272 488832289 /nfs/dbraw/zinc/83/22/89/488832289.db2.gz PPWKNNYNUALDGB-INIZCTEOSA-N 2 2 351.447 0.397 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037612 488835686 /nfs/dbraw/zinc/83/56/86/488835686.db2.gz NTQFBYQSVDQYEY-YJBOKZPZSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037612 488835688 /nfs/dbraw/zinc/83/56/88/488835688.db2.gz NTQFBYQSVDQYEY-YJBOKZPZSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037612 488835689 /nfs/dbraw/zinc/83/56/89/488835689.db2.gz NTQFBYQSVDQYEY-YJBOKZPZSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037612 488835690 /nfs/dbraw/zinc/83/56/90/488835690.db2.gz NTQFBYQSVDQYEY-YJBOKZPZSA-N 2 2 363.458 0.725 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CN1CC[NH+]1CCOCC1 ZINC000172697160 488836689 /nfs/dbraw/zinc/83/66/89/488836689.db2.gz OWXVMMUMRHHSMC-GOSISDBHSA-N 2 2 369.469 0.895 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000172815238 488838677 /nfs/dbraw/zinc/83/86/77/488838677.db2.gz BODTVSDOSJZVQX-AEFFLSMTSA-N 2 2 373.501 0.697 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173864119 488845970 /nfs/dbraw/zinc/84/59/70/488845970.db2.gz LQGIBLRBDHSLNA-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CCN(CC)S(=O)(=O)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000174404419 488848933 /nfs/dbraw/zinc/84/89/33/488848933.db2.gz USYFQHVUKGMZPX-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000174501626 488849553 /nfs/dbraw/zinc/84/95/53/488849553.db2.gz MVMWYPOFLKXGFD-PBHICJAKSA-N 2 2 353.467 0.210 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000175050434 488852998 /nfs/dbraw/zinc/85/29/98/488852998.db2.gz MTOIVLNCYBEOIG-UHFFFAOYSA-N 2 2 374.489 0.655 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000175573090 488854383 /nfs/dbraw/zinc/85/43/83/488854383.db2.gz GNLZDOSQGYQCSE-IRXDYDNUSA-N 3 2 369.554 0.811 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000175555354 488854480 /nfs/dbraw/zinc/85/44/80/488854480.db2.gz AHGZEKHOBKZIRS-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000175555354 488854481 /nfs/dbraw/zinc/85/44/81/488854481.db2.gz AHGZEKHOBKZIRS-JKSUJKDBSA-N 2 2 365.522 0.713 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000175555375 488854517 /nfs/dbraw/zinc/85/45/17/488854517.db2.gz AHGZEKHOBKZIRS-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000175555375 488854518 /nfs/dbraw/zinc/85/45/18/488854518.db2.gz AHGZEKHOBKZIRS-HOTGVXAUSA-N 2 2 365.522 0.713 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCNC(=O)c2cccs2)CC1 ZINC000175623373 488854553 /nfs/dbraw/zinc/85/45/53/488854553.db2.gz AFQGPEFTAPFRBH-UHFFFAOYSA-N 2 2 367.519 0.803 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000175633080 488854808 /nfs/dbraw/zinc/85/48/08/488854808.db2.gz FOAZWTDNTCODCZ-KZNAEPCWSA-N 2 2 368.522 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000175633080 488854809 /nfs/dbraw/zinc/85/48/09/488854809.db2.gz FOAZWTDNTCODCZ-KZNAEPCWSA-N 2 2 368.522 0.705 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000175817414 488856078 /nfs/dbraw/zinc/85/60/78/488856078.db2.gz DTTUGIHMGBXKJO-FGTMMUONSA-N 2 2 367.538 0.232 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)CN1CC[NH+](C)CC1 ZINC000175817414 488856079 /nfs/dbraw/zinc/85/60/79/488856079.db2.gz DTTUGIHMGBXKJO-FGTMMUONSA-N 2 2 367.538 0.232 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000176598422 488858514 /nfs/dbraw/zinc/85/85/14/488858514.db2.gz WECKHFGXKPKJIW-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000177491341 488859450 /nfs/dbraw/zinc/85/94/50/488859450.db2.gz OVFGFUOCIJWRDW-INIZCTEOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(N)=O ZINC000177572692 488859506 /nfs/dbraw/zinc/85/95/06/488859506.db2.gz QSZKPJUQBVICDD-HXUWFJFHSA-N 2 2 374.485 0.509 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179319376 488861015 /nfs/dbraw/zinc/86/10/15/488861015.db2.gz LDMYAFWNHMATRC-SFHVURJKSA-N 3 2 369.554 0.765 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179281522 488861088 /nfs/dbraw/zinc/86/10/88/488861088.db2.gz RWOOYEZIYUEZJB-HNNXBMFYSA-N 2 2 354.495 0.997 20 0 FCADLP Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181069220 488862882 /nfs/dbraw/zinc/86/28/82/488862882.db2.gz BSAORXBWLPYPMT-UHFFFAOYSA-N 2 2 357.524 0.683 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000181098708 488862950 /nfs/dbraw/zinc/86/29/50/488862950.db2.gz KLXYKLJLYLVBGS-UHFFFAOYSA-N 2 2 357.462 0.734 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000181098708 488862951 /nfs/dbraw/zinc/86/29/51/488862951.db2.gz KLXYKLJLYLVBGS-UHFFFAOYSA-N 2 2 357.462 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136284 488972990 /nfs/dbraw/zinc/97/29/90/488972990.db2.gz CPCBBRROHKTZOJ-CXAGYDPISA-N 2 2 367.519 0.646 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136284 488972994 /nfs/dbraw/zinc/97/29/94/488972994.db2.gz CPCBBRROHKTZOJ-CXAGYDPISA-N 2 2 367.519 0.646 20 0 FCADLP C[C@@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCOCC1 ZINC000329217123 488981372 /nfs/dbraw/zinc/98/13/72/488981372.db2.gz PQBDLUBNSXOATA-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000364706085 488989766 /nfs/dbraw/zinc/98/97/66/488989766.db2.gz NIXWKZSDAFHWFM-KRWDZBQOSA-N 2 2 367.453 0.889 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364721413 488991774 /nfs/dbraw/zinc/99/17/74/488991774.db2.gz HMSBEUVRQWIVLO-KRWDZBQOSA-N 2 2 353.507 0.793 20 0 FCADLP CN(C(=O)Cc1ccncc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329385401 489000149 /nfs/dbraw/zinc/00/01/49/489000149.db2.gz PXCIHRXVFMGMAF-UHFFFAOYSA-N 2 2 373.501 0.321 20 0 FCADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC000329395971 489000703 /nfs/dbraw/zinc/00/07/03/489000703.db2.gz UGLFTATXDDFENG-HZPDHXFCSA-N 2 2 359.536 0.337 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000329459182 489006837 /nfs/dbraw/zinc/00/68/37/489006837.db2.gz RNEBHLAPIHGHRH-JKSUJKDBSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000329459182 489006839 /nfs/dbraw/zinc/00/68/39/489006839.db2.gz RNEBHLAPIHGHRH-JKSUJKDBSA-N 2 2 362.478 0.773 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000280507059 489014515 /nfs/dbraw/zinc/01/45/15/489014515.db2.gz LNXNSICMHQPWHO-GFCCVEGCSA-N 2 2 351.401 0.985 20 0 FCADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000280507059 489014518 /nfs/dbraw/zinc/01/45/18/489014518.db2.gz LNXNSICMHQPWHO-GFCCVEGCSA-N 2 2 351.401 0.985 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899823 489015971 /nfs/dbraw/zinc/01/59/71/489015971.db2.gz YUQFZKOJNVILFB-HOTGVXAUSA-N 2 2 368.503 0.158 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000364899823 489015974 /nfs/dbraw/zinc/01/59/74/489015974.db2.gz YUQFZKOJNVILFB-HOTGVXAUSA-N 2 2 368.503 0.158 20 0 FCADLP O=C([C@@H]1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1)N1CCn2c[nH+]cc2C1 ZINC000329636257 489022568 /nfs/dbraw/zinc/02/25/68/489022568.db2.gz YAYXDNGVERXYCO-IAGOWNOFSA-N 2 2 368.441 0.881 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000288954981 489032020 /nfs/dbraw/zinc/03/20/20/489032020.db2.gz PERRHYQKDQWJRU-CABCVRRESA-N 2 2 357.458 0.472 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000288954981 489032022 /nfs/dbraw/zinc/03/20/22/489032022.db2.gz PERRHYQKDQWJRU-CABCVRRESA-N 2 2 357.458 0.472 20 0 FCADLP C[C@H](NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000570271615 491229325 /nfs/dbraw/zinc/22/93/25/491229325.db2.gz DCDWQMMTOJALAP-HOTGVXAUSA-N 2 2 367.519 0.264 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000280875658 489037611 /nfs/dbraw/zinc/03/76/11/489037611.db2.gz OPDZWBDVCFZBJF-FZKQIMNGSA-N 2 2 355.446 0.402 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000289075125 489040029 /nfs/dbraw/zinc/04/00/29/489040029.db2.gz OBWXLJVAHHQMNW-HDEZJCGLSA-N 2 2 359.474 0.892 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[NH+](C)C[C@@H]2C)c1 ZINC000329874675 489043750 /nfs/dbraw/zinc/04/37/50/489043750.db2.gz FWYAVDPXKUULPB-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[NH+](C)C[C@@H]2C)c1 ZINC000329874675 489043752 /nfs/dbraw/zinc/04/37/52/489043752.db2.gz FWYAVDPXKUULPB-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000329874675 489043754 /nfs/dbraw/zinc/04/37/54/489043754.db2.gz FWYAVDPXKUULPB-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)c1ccnc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000329874675 489043756 /nfs/dbraw/zinc/04/37/56/489043756.db2.gz FWYAVDPXKUULPB-CABCVRRESA-N 2 2 359.474 0.634 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183472 489047116 /nfs/dbraw/zinc/04/71/16/489047116.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365183472 489047119 /nfs/dbraw/zinc/04/71/19/489047119.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365183472 489047122 /nfs/dbraw/zinc/04/71/22/489047122.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 3 2 367.538 0.517 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365183472 489047124 /nfs/dbraw/zinc/04/71/24/489047124.db2.gz HUSFWXDVLZTYQN-ZWKOTPCHSA-N 3 2 367.538 0.517 20 0 FCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000289241379 489051763 /nfs/dbraw/zinc/05/17/63/489051763.db2.gz PKAIIGIRNKUHLX-JKSUJKDBSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000289241379 489051764 /nfs/dbraw/zinc/05/17/64/489051764.db2.gz PKAIIGIRNKUHLX-JKSUJKDBSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281011 489055516 /nfs/dbraw/zinc/05/55/16/489055516.db2.gz SRARVKZZMJIXAT-CVEARBPZSA-N 2 2 355.442 0.893 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000289281011 489055519 /nfs/dbraw/zinc/05/55/19/489055519.db2.gz SRARVKZZMJIXAT-CVEARBPZSA-N 2 2 355.442 0.893 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000563245050 491231202 /nfs/dbraw/zinc/23/12/02/491231202.db2.gz JFGMTTTWYGENOQ-GDBMZVCRSA-N 2 2 368.503 0.331 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454526 489068154 /nfs/dbraw/zinc/06/81/54/489068154.db2.gz XRELTTLWAYVIAN-UONOGXRCSA-N 2 2 361.446 0.979 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289454526 489068157 /nfs/dbraw/zinc/06/81/57/489068157.db2.gz XRELTTLWAYVIAN-UONOGXRCSA-N 2 2 361.446 0.979 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)ccc1=O ZINC000281371419 489070705 /nfs/dbraw/zinc/07/07/05/489070705.db2.gz XURYNVYMJYIJQF-QGZVFWFLSA-N 2 2 362.474 0.992 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)ccc1=O ZINC000281371419 489070707 /nfs/dbraw/zinc/07/07/07/489070707.db2.gz XURYNVYMJYIJQF-QGZVFWFLSA-N 2 2 362.474 0.992 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@@H]1CCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330176608 489076335 /nfs/dbraw/zinc/07/63/35/489076335.db2.gz KCTYTXNIGIIMAS-HNNXBMFYSA-N 2 2 370.544 0.876 20 0 FCADLP Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000365528039 489084121 /nfs/dbraw/zinc/08/41/21/489084121.db2.gz JSRHPEAOYVYKKW-CYBMUJFWSA-N 2 2 365.503 0.983 20 0 FCADLP Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc1C ZINC000365528039 489084124 /nfs/dbraw/zinc/08/41/24/489084124.db2.gz JSRHPEAOYVYKKW-CYBMUJFWSA-N 2 2 365.503 0.983 20 0 FCADLP CN1CCN(c2cc(NCCN3CC[N@H+](C)C(C)(C)C3)nc[nH+]2)CC1=O ZINC000281562648 489086736 /nfs/dbraw/zinc/08/67/36/489086736.db2.gz DFBCQOIAEQDTOE-UHFFFAOYSA-N 2 2 361.494 0.193 20 0 FCADLP CN1CCN(c2cc(NCCN3CC[N@@H+](C)C(C)(C)C3)nc[nH+]2)CC1=O ZINC000281562648 489086740 /nfs/dbraw/zinc/08/67/40/489086740.db2.gz DFBCQOIAEQDTOE-UHFFFAOYSA-N 2 2 361.494 0.193 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000289718250 489088570 /nfs/dbraw/zinc/08/85/70/489088570.db2.gz GARWIGFFNNLNJO-KBPBESRZSA-N 2 2 369.487 0.860 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000289905785 489101197 /nfs/dbraw/zinc/10/11/97/489101197.db2.gz NEQLEKCELGNABY-AWEZNQCLSA-N 2 2 354.476 0.766 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000289905785 489101201 /nfs/dbraw/zinc/10/12/01/489101201.db2.gz NEQLEKCELGNABY-AWEZNQCLSA-N 2 2 354.476 0.766 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000365743284 489108025 /nfs/dbraw/zinc/10/80/25/489108025.db2.gz KMFSNTHAPGUYIS-ROUUACIJSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCO1 ZINC000365743284 489108027 /nfs/dbraw/zinc/10/80/27/489108027.db2.gz KMFSNTHAPGUYIS-ROUUACIJSA-N 2 2 368.522 0.994 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940403 491233915 /nfs/dbraw/zinc/23/39/15/491233915.db2.gz JTVABSQFLJMGGJ-HOCLYGCPSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000554940403 491233919 /nfs/dbraw/zinc/23/39/19/491233919.db2.gz JTVABSQFLJMGGJ-HOCLYGCPSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000554940403 491233921 /nfs/dbraw/zinc/23/39/21/491233921.db2.gz JTVABSQFLJMGGJ-HOCLYGCPSA-N 2 2 367.494 0.740 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000554940403 491233924 /nfs/dbraw/zinc/23/39/24/491233924.db2.gz JTVABSQFLJMGGJ-HOCLYGCPSA-N 2 2 367.494 0.740 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000570322278 491234099 /nfs/dbraw/zinc/23/40/99/491234099.db2.gz GODRKNAORQTPCB-CVEARBPZSA-N 2 2 351.447 0.048 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000570322278 491234101 /nfs/dbraw/zinc/23/41/01/491234101.db2.gz GODRKNAORQTPCB-CVEARBPZSA-N 2 2 351.447 0.048 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000282008266 489124475 /nfs/dbraw/zinc/12/44/75/489124475.db2.gz JJHKRBKFUZECKQ-OALUTQOASA-N 2 2 374.529 0.718 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000282008266 489124477 /nfs/dbraw/zinc/12/44/77/489124477.db2.gz JJHKRBKFUZECKQ-OALUTQOASA-N 2 2 374.529 0.718 20 0 FCADLP C[C@@H](O)c1ncc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000290292184 489128556 /nfs/dbraw/zinc/12/85/56/489128556.db2.gz HCODAVNMTHCYHV-OLZOCXBDSA-N 2 2 354.476 0.219 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@]3(CO)CCOc4ccccc43)cn2)CC1 ZINC000282056777 489128859 /nfs/dbraw/zinc/12/88/59/489128859.db2.gz BGZNETMZSGQADI-FQEVSTJZSA-N 2 2 369.469 0.988 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CCS(=O)(=O)C1 ZINC000365994941 489133463 /nfs/dbraw/zinc/13/34/63/489133463.db2.gz GKUFYBJJCSSQOR-KBPBESRZSA-N 2 2 354.476 0.338 20 0 FCADLP CN(C(=O)COC(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330729608 489137809 /nfs/dbraw/zinc/13/78/09/489137809.db2.gz HNBSNQGQVYSTIZ-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000570368176 491236693 /nfs/dbraw/zinc/23/66/93/491236693.db2.gz XCKDMCKXVXYGFY-INIZCTEOSA-N 2 2 373.501 0.967 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000570368176 491236695 /nfs/dbraw/zinc/23/66/95/491236695.db2.gz XCKDMCKXVXYGFY-INIZCTEOSA-N 2 2 373.501 0.967 20 0 FCADLP CC[N@H+](CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C(C)C ZINC000555134403 491239755 /nfs/dbraw/zinc/23/97/55/491239755.db2.gz GOFUPPJBTBHLHF-UHFFFAOYSA-N 2 2 369.535 1.160 20 0 FCADLP CC[N@@H+](CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C(C)C ZINC000555134403 491239758 /nfs/dbraw/zinc/23/97/58/491239758.db2.gz GOFUPPJBTBHLHF-UHFFFAOYSA-N 2 2 369.535 1.160 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000332565406 489221343 /nfs/dbraw/zinc/22/13/43/489221343.db2.gz ZEHULYTXYRXUPA-CALCHBBNSA-N 2 2 358.486 0.848 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccs1 ZINC000283163282 489221707 /nfs/dbraw/zinc/22/17/07/489221707.db2.gz CYBGPBPNABZWPR-UHFFFAOYSA-N 2 2 352.504 0.849 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccs1 ZINC000283163282 489221710 /nfs/dbraw/zinc/22/17/10/489221710.db2.gz CYBGPBPNABZWPR-UHFFFAOYSA-N 2 2 352.504 0.849 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)c[nH+]1 ZINC000283192559 489225574 /nfs/dbraw/zinc/22/55/74/489225574.db2.gz HXQPMBRYWHRJBK-UHFFFAOYSA-N 2 2 358.446 0.947 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297715190 489228760 /nfs/dbraw/zinc/22/87/60/489228760.db2.gz CTKBTBGXMQZRDY-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332780540 489229122 /nfs/dbraw/zinc/22/91/22/489229122.db2.gz SUPWMMDGPUVARA-IRXDYDNUSA-N 2 2 365.522 0.759 20 0 FCADLP O=C1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CN1CC[NH+]1CCOCC1 ZINC000297734470 489231924 /nfs/dbraw/zinc/23/19/24/489231924.db2.gz SOORGZZBWFFITQ-SFHVURJKSA-N 3 2 373.501 0.573 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000283261229 489234633 /nfs/dbraw/zinc/23/46/33/489234633.db2.gz MQGZBIVZMOEFGU-UHFFFAOYSA-N 2 2 363.462 0.151 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@H+]1CCO ZINC000369463749 489241101 /nfs/dbraw/zinc/24/11/01/489241101.db2.gz OYUHGJSKSZYGJI-IXDOHACOSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000369463749 489241104 /nfs/dbraw/zinc/24/11/04/489241104.db2.gz OYUHGJSKSZYGJI-IXDOHACOSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)[NH+]1CCO ZINC000369463749 489241107 /nfs/dbraw/zinc/24/11/07/489241107.db2.gz OYUHGJSKSZYGJI-IXDOHACOSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)[NH+]1CCO ZINC000369463749 489241110 /nfs/dbraw/zinc/24/11/10/489241110.db2.gz OYUHGJSKSZYGJI-IXDOHACOSA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000332898192 489244488 /nfs/dbraw/zinc/24/44/88/489244488.db2.gz YVLNPCQAIZJDQR-HUUCEWRRSA-N 2 2 363.506 0.631 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000332898192 489244490 /nfs/dbraw/zinc/24/44/90/489244490.db2.gz YVLNPCQAIZJDQR-HUUCEWRRSA-N 2 2 363.506 0.631 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283393774 489253669 /nfs/dbraw/zinc/25/36/69/489253669.db2.gz JRNSMGUUCKLIPF-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283393774 489253670 /nfs/dbraw/zinc/25/36/70/489253670.db2.gz JRNSMGUUCKLIPF-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccnc1 ZINC000283422164 489257295 /nfs/dbraw/zinc/25/72/95/489257295.db2.gz BRSMLWPYAMHZBJ-UHFFFAOYSA-N 2 2 361.490 0.225 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccnc1 ZINC000283422164 489257297 /nfs/dbraw/zinc/25/72/97/489257297.db2.gz BRSMLWPYAMHZBJ-UHFFFAOYSA-N 2 2 361.490 0.225 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613535 489257936 /nfs/dbraw/zinc/25/79/36/489257936.db2.gz MABOPDAILIJPHD-IRXDYDNUSA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000369613535 489257939 /nfs/dbraw/zinc/25/79/39/489257939.db2.gz MABOPDAILIJPHD-IRXDYDNUSA-N 2 2 367.490 0.442 20 0 FCADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@@H+]1C ZINC000333417430 489260781 /nfs/dbraw/zinc/26/07/81/489260781.db2.gz HMIJAWKQRIECKU-CVEARBPZSA-N 2 2 364.494 1.162 20 0 FCADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[N@H+]1C ZINC000333417430 489260782 /nfs/dbraw/zinc/26/07/82/489260782.db2.gz HMIJAWKQRIECKU-CVEARBPZSA-N 2 2 364.494 1.162 20 0 FCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000348614969 489275767 /nfs/dbraw/zinc/27/57/67/489275767.db2.gz JLEZRVSJEOIONR-IRXDYDNUSA-N 2 2 369.425 0.639 20 0 FCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000348614969 489275770 /nfs/dbraw/zinc/27/57/70/489275770.db2.gz JLEZRVSJEOIONR-IRXDYDNUSA-N 2 2 369.425 0.639 20 0 FCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000348614969 489275771 /nfs/dbraw/zinc/27/57/71/489275771.db2.gz JLEZRVSJEOIONR-IRXDYDNUSA-N 2 2 369.425 0.639 20 0 FCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000348614969 489275774 /nfs/dbraw/zinc/27/57/74/489275774.db2.gz JLEZRVSJEOIONR-IRXDYDNUSA-N 2 2 369.425 0.639 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000298002727 489276723 /nfs/dbraw/zinc/27/67/23/489276723.db2.gz ZCYHHSZBXWTHGW-UHFFFAOYSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C=O)CC1 ZINC000298029021 489280297 /nfs/dbraw/zinc/28/02/97/489280297.db2.gz FSBVLGDXPLCHSV-HKUYNNGSSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C=O)CC1 ZINC000298029021 489280299 /nfs/dbraw/zinc/28/02/99/489280299.db2.gz FSBVLGDXPLCHSV-HKUYNNGSSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029021 489280301 /nfs/dbraw/zinc/28/03/01/489280301.db2.gz FSBVLGDXPLCHSV-HKUYNNGSSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C=O)CC1 ZINC000298029021 489280302 /nfs/dbraw/zinc/28/03/02/489280302.db2.gz FSBVLGDXPLCHSV-HKUYNNGSSA-N 2 2 358.486 0.930 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000283626593 489283125 /nfs/dbraw/zinc/28/31/25/489283125.db2.gz VMZWLTOZWSPWJH-INIZCTEOSA-N 2 2 374.489 0.304 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000369973021 489299001 /nfs/dbraw/zinc/29/90/01/489299001.db2.gz JPLABTCAXYCUOA-INIZCTEOSA-N 2 2 359.474 0.932 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)CCSC1 ZINC000284268632 489308762 /nfs/dbraw/zinc/30/87/62/489308762.db2.gz VUICULNSZNOHFR-KRWDZBQOSA-N 2 2 365.503 0.553 20 0 FCADLP CC[N@H+](CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000370065210 489312180 /nfs/dbraw/zinc/31/21/80/489312180.db2.gz MSIJILWTLLDZFQ-UHFFFAOYSA-N 2 2 350.467 0.821 20 0 FCADLP CC[N@@H+](CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000370065210 489312182 /nfs/dbraw/zinc/31/21/82/489312182.db2.gz MSIJILWTLLDZFQ-UHFFFAOYSA-N 2 2 350.467 0.821 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000285867734 489328258 /nfs/dbraw/zinc/32/82/58/489328258.db2.gz KTLSQHNTXVNBIH-HUUCEWRRSA-N 2 2 363.462 0.548 20 0 FCADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000285918683 489333552 /nfs/dbraw/zinc/33/35/52/489333552.db2.gz KOPLJEHFEPBRHJ-OAHLLOKOSA-N 2 2 365.478 0.651 20 0 FCADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000285918683 489333555 /nfs/dbraw/zinc/33/35/55/489333555.db2.gz KOPLJEHFEPBRHJ-OAHLLOKOSA-N 2 2 365.478 0.651 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370282610 489339354 /nfs/dbraw/zinc/33/93/54/489339354.db2.gz XMXLCJQISQWQMW-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370282610 489339356 /nfs/dbraw/zinc/33/93/56/489339356.db2.gz XMXLCJQISQWQMW-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP CC1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000370500804 489367622 /nfs/dbraw/zinc/36/76/22/489367622.db2.gz UEEVDTUHGZJCNF-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511895 489369231 /nfs/dbraw/zinc/36/92/31/489369231.db2.gz BQFRABNKWOEORH-LSDHHAIUSA-N 2 2 351.495 0.465 20 0 FCADLP CCC(=O)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370511895 489369233 /nfs/dbraw/zinc/36/92/33/489369233.db2.gz BQFRABNKWOEORH-LSDHHAIUSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000362394472 489385607 /nfs/dbraw/zinc/38/56/07/489385607.db2.gz DKLJKHYSNMKCAF-NXOAAHMSSA-N 2 2 354.495 0.336 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1C ZINC000286709269 489419972 /nfs/dbraw/zinc/41/99/72/489419972.db2.gz CXRKUHUDMVKBDF-LBPRGKRZSA-N 2 2 359.434 0.232 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638597497 492964063 /nfs/dbraw/zinc/96/40/63/492964063.db2.gz YAWUMNVXIUEWMH-ZDUSSCGKSA-N 2 2 353.268 0.827 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638597497 492964065 /nfs/dbraw/zinc/96/40/65/492964065.db2.gz YAWUMNVXIUEWMH-ZDUSSCGKSA-N 2 2 353.268 0.827 20 0 FCADLP Cc1nc(SCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000363350354 489455705 /nfs/dbraw/zinc/45/57/05/489455705.db2.gz XEHMUXVMGWTEBT-CQSZACIVSA-N 2 2 352.508 0.832 20 0 FCADLP Cc1nc(SCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000363350354 489455709 /nfs/dbraw/zinc/45/57/09/489455709.db2.gz XEHMUXVMGWTEBT-CQSZACIVSA-N 2 2 352.508 0.832 20 0 FCADLP Cc1nnc(SCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000363350354 489455712 /nfs/dbraw/zinc/45/57/12/489455712.db2.gz XEHMUXVMGWTEBT-CQSZACIVSA-N 2 2 352.508 0.832 20 0 FCADLP Cc1nnc(SCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000363350354 489455715 /nfs/dbraw/zinc/45/57/15/489455715.db2.gz XEHMUXVMGWTEBT-CQSZACIVSA-N 2 2 352.508 0.832 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000563559781 491254954 /nfs/dbraw/zinc/25/49/54/491254954.db2.gz AJUXWISVWXLTIZ-INIZCTEOSA-N 2 2 360.437 0.853 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000287109032 489461876 /nfs/dbraw/zinc/46/18/76/489461876.db2.gz JRYCOGXWFTWDII-OWCLPIDISA-N 2 2 359.474 0.766 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000299639031 489465854 /nfs/dbraw/zinc/46/58/54/489465854.db2.gz MWZWWZVWSHJCLO-UHFFFAOYSA-N 2 2 364.494 0.777 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000299639031 489465855 /nfs/dbraw/zinc/46/58/55/489465855.db2.gz MWZWWZVWSHJCLO-UHFFFAOYSA-N 2 2 364.494 0.777 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000299639784 489466293 /nfs/dbraw/zinc/46/62/93/489466293.db2.gz KIVYPSRIOHIZBP-UHFFFAOYSA-N 2 2 374.533 0.477 20 0 FCADLP CCN1CC[NH+](CCC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000299639784 489466297 /nfs/dbraw/zinc/46/62/97/489466297.db2.gz KIVYPSRIOHIZBP-UHFFFAOYSA-N 2 2 374.533 0.477 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563577855 491255616 /nfs/dbraw/zinc/25/56/16/491255616.db2.gz HREDYHDEFNSWEX-OLZOCXBDSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563577855 491255618 /nfs/dbraw/zinc/25/56/18/491255618.db2.gz HREDYHDEFNSWEX-OLZOCXBDSA-N 2 2 365.865 0.730 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3[C@@H](CO)CC[C@@H]3CO)CC2)c1 ZINC000287285590 489475210 /nfs/dbraw/zinc/47/52/10/489475210.db2.gz IHODIQIWIAAABP-RTBURBONSA-N 2 2 361.486 0.457 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000371481610 489485502 /nfs/dbraw/zinc/48/55/02/489485502.db2.gz DIJWEBFURCLLKV-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000371481610 489485503 /nfs/dbraw/zinc/48/55/03/489485503.db2.gz DIJWEBFURCLLKV-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000371605684 489490299 /nfs/dbraw/zinc/49/02/99/489490299.db2.gz AVUAUBRLOSKQCX-KRWDZBQOSA-N 2 2 370.457 0.919 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000371605684 489490300 /nfs/dbraw/zinc/49/03/00/489490300.db2.gz AVUAUBRLOSKQCX-KRWDZBQOSA-N 2 2 370.457 0.919 20 0 FCADLP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000371676597 489496465 /nfs/dbraw/zinc/49/64/65/489496465.db2.gz ZCTFNBBIKYETTO-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000371676597 489496467 /nfs/dbraw/zinc/49/64/67/489496467.db2.gz ZCTFNBBIKYETTO-INIZCTEOSA-N 3 2 367.538 0.565 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563626886 491259355 /nfs/dbraw/zinc/25/93/55/491259355.db2.gz WYDLAPCSNZPAOX-YJBOKZPZSA-N 3 2 367.538 0.057 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000423209272 489502689 /nfs/dbraw/zinc/50/26/89/489502689.db2.gz IVRILVBJINPFJM-IBGZPJMESA-N 2 2 360.458 0.877 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423255206 489507766 /nfs/dbraw/zinc/50/77/66/489507766.db2.gz BENMRNJCGXVHMK-ZBFHGGJFSA-N 2 2 360.458 0.460 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000423255340 489508068 /nfs/dbraw/zinc/50/80/68/489508068.db2.gz BSCIDWCKFGRXMU-JKSUJKDBSA-N 2 2 374.485 0.708 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423259852 489508726 /nfs/dbraw/zinc/50/87/26/489508726.db2.gz PFZDUACIODIFIS-AEFFLSMTSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423294048 489512133 /nfs/dbraw/zinc/51/21/33/489512133.db2.gz BBBXYJREIHTUTF-XYJFISCASA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423294048 489512134 /nfs/dbraw/zinc/51/21/34/489512134.db2.gz BBBXYJREIHTUTF-XYJFISCASA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423300604 489512943 /nfs/dbraw/zinc/51/29/43/489512943.db2.gz SAGARTZKABCJQY-UZLBHIALSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423300604 489512946 /nfs/dbraw/zinc/51/29/46/489512946.db2.gz SAGARTZKABCJQY-UZLBHIALSA-N 2 2 358.486 0.917 20 0 FCADLP [NH3+]C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCC1 ZINC000415188396 489513137 /nfs/dbraw/zinc/51/31/37/489513137.db2.gz OILQTBHVPPYTRW-HNNXBMFYSA-N 2 2 350.467 0.854 20 0 FCADLP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)[nH+]c1 ZINC000424551334 489516082 /nfs/dbraw/zinc/51/60/82/489516082.db2.gz OLPVOVOQCKIFSS-CYBMUJFWSA-N 2 2 369.416 0.669 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000415416205 489518205 /nfs/dbraw/zinc/51/82/05/489518205.db2.gz NAOYVPKRECCWHP-HUUCEWRRSA-N 2 2 360.458 0.839 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415480965 489524546 /nfs/dbraw/zinc/52/45/46/489524546.db2.gz AJVMJBYDDXKOQI-MRXNPFEDSA-N 2 2 360.458 0.668 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371994883 489533107 /nfs/dbraw/zinc/53/31/07/489533107.db2.gz YYIHHZPFTKZEPU-ROUUACIJSA-N 2 2 352.523 0.774 20 0 FCADLP CCN1CC[NH+](CCC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371994883 489533109 /nfs/dbraw/zinc/53/31/09/489533109.db2.gz YYIHHZPFTKZEPU-ROUUACIJSA-N 2 2 352.523 0.774 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC[NH+](CC)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000555638858 491261352 /nfs/dbraw/zinc/26/13/52/491261352.db2.gz IUQPMHFAWWIMPF-CQSZACIVSA-N 2 2 350.467 0.073 20 0 FCADLP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372110414 489545529 /nfs/dbraw/zinc/54/55/29/489545529.db2.gz DEERNGQKSOKETB-QGZVFWFLSA-N 2 2 351.491 0.955 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CCCCC1 ZINC000555643173 491261957 /nfs/dbraw/zinc/26/19/57/491261957.db2.gz XGLMNTXBQUCSKW-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CCCCC1 ZINC000555643173 491261959 /nfs/dbraw/zinc/26/19/59/491261959.db2.gz XGLMNTXBQUCSKW-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000563673203 491262474 /nfs/dbraw/zinc/26/24/74/491262474.db2.gz LKEUJVQWUAFTIY-RBGFHDKUSA-N 2 2 359.536 0.777 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000555656413 491262678 /nfs/dbraw/zinc/26/26/78/491262678.db2.gz RZLFBGJIKKENCD-LSDHHAIUSA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000555656413 491262680 /nfs/dbraw/zinc/26/26/80/491262680.db2.gz RZLFBGJIKKENCD-LSDHHAIUSA-N 2 2 350.463 0.797 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H]1CCO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000426265993 489561767 /nfs/dbraw/zinc/56/17/67/489561767.db2.gz XEXPQVDEVJYHBE-LJQANCHMSA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H]1CCO)NCc1ccccc1C[NH+]1CCOCC1 ZINC000426265993 489561770 /nfs/dbraw/zinc/56/17/70/489561770.db2.gz XEXPQVDEVJYHBE-LJQANCHMSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+]1CCC(C)CC1 ZINC000426313212 489562670 /nfs/dbraw/zinc/56/26/70/489562670.db2.gz LVLLHWJFIRXGFH-HNNXBMFYSA-N 2 2 353.511 0.698 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371160 489564439 /nfs/dbraw/zinc/56/44/39/489564439.db2.gz JORJRULLVWWLSU-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371160 489564440 /nfs/dbraw/zinc/56/44/40/489564440.db2.gz JORJRULLVWWLSU-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371160 489564441 /nfs/dbraw/zinc/56/44/41/489564441.db2.gz JORJRULLVWWLSU-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000426371160 489564443 /nfs/dbraw/zinc/56/44/43/489564443.db2.gz JORJRULLVWWLSU-IRXDYDNUSA-N 2 2 356.511 0.897 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000372294198 489567839 /nfs/dbraw/zinc/56/78/39/489567839.db2.gz MEJVJDIVVVYIEU-AEFFLSMTSA-N 2 2 362.474 0.508 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000372294198 489567841 /nfs/dbraw/zinc/56/78/41/489567841.db2.gz MEJVJDIVVVYIEU-AEFFLSMTSA-N 2 2 362.474 0.508 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372306403 489568856 /nfs/dbraw/zinc/56/88/56/489568856.db2.gz CYHDWZBVKMQGRG-HNNXBMFYSA-N 2 2 353.511 0.616 20 0 FCADLP CC(C)C(=O)NCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372306403 489568858 /nfs/dbraw/zinc/56/88/58/489568858.db2.gz CYHDWZBVKMQGRG-HNNXBMFYSA-N 2 2 353.511 0.616 20 0 FCADLP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427048483 489592307 /nfs/dbraw/zinc/59/23/07/489592307.db2.gz FZDNXISINJVWGE-OAHLLOKOSA-N 2 2 371.441 0.893 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000555673399 491265187 /nfs/dbraw/zinc/26/51/87/491265187.db2.gz KVITUUNFNHDOLO-KRWDZBQOSA-N 2 2 368.522 0.448 20 0 FCADLP CCOC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)([NH+]2CCOCC2)C1 ZINC000427447920 489608870 /nfs/dbraw/zinc/60/88/70/489608870.db2.gz CGUNVRABSGNSJH-TVRKMHQQSA-N 2 2 351.491 0.999 20 0 FCADLP CCOC1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)([NH+]2CCOCC2)C1 ZINC000427447920 489608871 /nfs/dbraw/zinc/60/88/71/489608871.db2.gz CGUNVRABSGNSJH-TVRKMHQQSA-N 2 2 351.491 0.999 20 0 FCADLP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372656045 489617110 /nfs/dbraw/zinc/61/71/10/489617110.db2.gz QVJWZZHGOSMEIM-RRFJBIMHSA-N 2 2 353.511 0.757 20 0 FCADLP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372656045 489617111 /nfs/dbraw/zinc/61/71/11/489617111.db2.gz QVJWZZHGOSMEIM-RRFJBIMHSA-N 2 2 353.511 0.757 20 0 FCADLP CN(C(=O)CC1(CS(C)(=O)=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372715999 489628110 /nfs/dbraw/zinc/62/81/10/489628110.db2.gz OCJIJTUKWBBGFS-MRXNPFEDSA-N 2 2 371.547 0.828 20 0 FCADLP CN(C(=O)CC1(CS(C)(=O)=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372715999 489628113 /nfs/dbraw/zinc/62/81/13/489628113.db2.gz OCJIJTUKWBBGFS-MRXNPFEDSA-N 2 2 371.547 0.828 20 0 FCADLP CC(C)(CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416833986 489631443 /nfs/dbraw/zinc/63/14/43/489631443.db2.gz WBGGWYCJZVARIP-HNNXBMFYSA-N 2 2 369.510 0.126 20 0 FCADLP [NH3+][C@H](CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000417149260 489643848 /nfs/dbraw/zinc/64/38/48/489643848.db2.gz DGZDTSMVVRFEKX-QGZVFWFLSA-N 2 2 369.473 0.598 20 0 FCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@H]1C[NH2+]CCO1 ZINC000417229658 489645745 /nfs/dbraw/zinc/64/57/45/489645745.db2.gz XYDLJGAGMGRYBX-GFCCVEGCSA-N 2 2 368.235 0.884 20 0 FCADLP [NH3+][C@@H](CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000417303799 489647394 /nfs/dbraw/zinc/64/73/94/489647394.db2.gz YITIXFXDGZPRRQ-SFHVURJKSA-N 2 2 362.474 0.934 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000417319100 489647936 /nfs/dbraw/zinc/64/79/36/489647936.db2.gz NAZYMHFUUAYTRR-QGZVFWFLSA-N 2 2 362.474 0.949 20 0 FCADLP C[C@@H](CC[NH3+])NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417322428 489648333 /nfs/dbraw/zinc/64/83/33/489648333.db2.gz VUFVROLHAMZISP-HNNXBMFYSA-N 2 2 350.463 0.934 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000417367432 489649311 /nfs/dbraw/zinc/64/93/11/489649311.db2.gz MLARAKULXKAYFZ-INIZCTEOSA-N 2 2 374.489 0.419 20 0 FCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417369301 489650432 /nfs/dbraw/zinc/65/04/32/489650432.db2.gz QPBLQRCBZLSQDO-JKSUJKDBSA-N 2 2 374.489 0.689 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000372985129 489658491 /nfs/dbraw/zinc/65/84/91/489658491.db2.gz VWEXQCFFZQCMPQ-IAGOWNOFSA-N 2 2 366.506 0.794 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604723 489659482 /nfs/dbraw/zinc/65/94/82/489659482.db2.gz VGOCVNTTYNWYSO-ROUUACIJSA-N 2 2 362.474 0.218 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)NCCCN3CC[NH2+]CC3)CC2)[nH+]c1 ZINC000417731991 489663321 /nfs/dbraw/zinc/66/33/21/489663321.db2.gz OLTXYRXNDZGESF-UHFFFAOYSA-N 2 2 360.506 0.953 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000417772181 489665072 /nfs/dbraw/zinc/66/50/72/489665072.db2.gz HHFAXBGEQNFBGC-KGLIPLIRSA-N 2 2 363.466 0.165 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[nH+]cn1 ZINC000417772181 489665075 /nfs/dbraw/zinc/66/50/75/489665075.db2.gz HHFAXBGEQNFBGC-KGLIPLIRSA-N 2 2 363.466 0.165 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000417772180 489665239 /nfs/dbraw/zinc/66/52/39/489665239.db2.gz HHFAXBGEQNFBGC-KBPBESRZSA-N 2 2 363.466 0.165 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[nH+]cn1 ZINC000417772180 489665241 /nfs/dbraw/zinc/66/52/41/489665241.db2.gz HHFAXBGEQNFBGC-KBPBESRZSA-N 2 2 363.466 0.165 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805743 491269879 /nfs/dbraw/zinc/26/98/79/491269879.db2.gz KBLXQBASGPKMBZ-XYPHTWIQSA-N 2 2 358.442 0.937 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805743 491269881 /nfs/dbraw/zinc/26/98/81/491269881.db2.gz KBLXQBASGPKMBZ-XYPHTWIQSA-N 2 2 358.442 0.937 20 0 FCADLP [NH3+][C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(F)cccc1F ZINC000417826821 489667432 /nfs/dbraw/zinc/66/74/32/489667432.db2.gz OUEUTLLUYVGXBP-WCQYABFASA-N 2 2 366.334 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805742 491270013 /nfs/dbraw/zinc/27/00/13/491270013.db2.gz KBLXQBASGPKMBZ-XOKHGSTOSA-N 2 2 358.442 0.937 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000563805742 491270016 /nfs/dbraw/zinc/27/00/16/491270016.db2.gz KBLXQBASGPKMBZ-XOKHGSTOSA-N 2 2 358.442 0.937 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418303243 489690270 /nfs/dbraw/zinc/69/02/70/489690270.db2.gz MZTKOZZLUQFCFB-UHFFFAOYSA-N 2 2 365.478 0.029 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000418315331 489690575 /nfs/dbraw/zinc/69/05/75/489690575.db2.gz UVHUXHBLRKLGIS-HZPDHXFCSA-N 2 2 353.511 0.570 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[C@H]2CC[NH2+]C2)cn1 ZINC000418351655 489693575 /nfs/dbraw/zinc/69/35/75/489693575.db2.gz ZVYJNQKRMUUYEL-KBMXLJTQSA-N 2 2 352.458 0.631 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC[C@H]2CC[NH2+]C2)cn1 ZINC000418351655 489693577 /nfs/dbraw/zinc/69/35/77/489693577.db2.gz ZVYJNQKRMUUYEL-KBMXLJTQSA-N 2 2 352.458 0.631 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418388986 489695765 /nfs/dbraw/zinc/69/57/65/489695765.db2.gz SWJPFPGSAIHQEE-WMLDXEAASA-N 2 2 365.522 0.888 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429682566 489696222 /nfs/dbraw/zinc/69/62/22/489696222.db2.gz ZBDPPUWRUFHLBJ-KDURUIRLSA-N 3 2 365.566 0.641 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429682566 489696228 /nfs/dbraw/zinc/69/62/28/489696228.db2.gz ZBDPPUWRUFHLBJ-KDURUIRLSA-N 3 2 365.566 0.641 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418524346 489704277 /nfs/dbraw/zinc/70/42/77/489704277.db2.gz MTPVXUHFNUBDHQ-UHFFFAOYSA-N 2 2 362.343 0.877 20 0 FCADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000418656499 489716651 /nfs/dbraw/zinc/71/66/51/489716651.db2.gz SNCLRAHLZATQOY-FUHWJXTLSA-N 2 2 364.490 0.583 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H](CC[NH3+])C(F)F)cn1 ZINC000418701546 489718955 /nfs/dbraw/zinc/71/89/55/489718955.db2.gz AKBRSKPEGZWFRB-RWMBFGLXSA-N 2 2 362.400 0.614 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H](CC[NH3+])C(F)F)cn1 ZINC000418701546 489718956 /nfs/dbraw/zinc/71/89/56/489718956.db2.gz AKBRSKPEGZWFRB-RWMBFGLXSA-N 2 2 362.400 0.614 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418707614 489719396 /nfs/dbraw/zinc/71/93/96/489719396.db2.gz BRQROSMTEGBYLK-RBSFLKMASA-N 2 2 351.495 0.498 20 0 FCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563874783 491274059 /nfs/dbraw/zinc/27/40/59/491274059.db2.gz JRPWWCAJWHEFIQ-JKSUJKDBSA-N 2 2 374.489 0.512 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn21 ZINC000418785698 489726599 /nfs/dbraw/zinc/72/65/99/489726599.db2.gz DKZPOLYWPMVPTK-CWRNSKLLSA-N 2 2 355.442 0.845 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489803265 489728736 /nfs/dbraw/zinc/72/87/36/489728736.db2.gz UHYLTLGPJOCTOU-HOCLYGCPSA-N 2 2 351.495 0.513 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418797530 489729437 /nfs/dbraw/zinc/72/94/37/489729437.db2.gz GBGIFWYMVAJEBD-AWEZNQCLSA-N 2 2 370.856 0.977 20 0 FCADLP CCN(C[C@@H](O)C(F)(F)F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000430310648 489730206 /nfs/dbraw/zinc/73/02/06/489730206.db2.gz CPYJPEUNDOFKGU-CYBMUJFWSA-N 2 2 354.417 0.967 20 0 FCADLP CC[C@H]1C(=O)N(CC)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000430311879 489730421 /nfs/dbraw/zinc/73/04/21/489730421.db2.gz MCXDSJGLIUKMFK-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1SC ZINC000459459825 489733212 /nfs/dbraw/zinc/73/32/12/489733212.db2.gz ICPFPHYNXUGQAU-JYYAWHABSA-N 2 2 357.520 0.418 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489940575 489737016 /nfs/dbraw/zinc/73/70/16/489737016.db2.gz IZYALXMVJSWDLY-KBXCAEBGSA-N 2 2 359.474 0.952 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489942447 489737031 /nfs/dbraw/zinc/73/70/31/489737031.db2.gz OUJIOTMKNUIAGF-RYRKJORJSA-N 2 2 358.486 0.994 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489953133 489737562 /nfs/dbraw/zinc/73/75/62/489737562.db2.gz BWYXLWUROLLSGU-QZTJIDSGSA-N 2 2 360.502 0.858 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546613 489744509 /nfs/dbraw/zinc/74/45/09/489744509.db2.gz SDQMBYOWZNOGSQ-JSGCOSHPSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546613 489744512 /nfs/dbraw/zinc/74/45/12/489744512.db2.gz SDQMBYOWZNOGSQ-JSGCOSHPSA-N 2 2 366.487 0.282 20 0 FCADLP Cc1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1S(=O)(=O)N(C)C ZINC000430549085 489745120 /nfs/dbraw/zinc/74/51/20/489745120.db2.gz CZVFFZASYZNORQ-KRWDZBQOSA-N 2 2 368.503 0.901 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000430573109 489746824 /nfs/dbraw/zinc/74/68/24/489746824.db2.gz PUTNCMGMMKIYPJ-SJCJKPOMSA-N 2 2 368.503 0.575 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430588988 489749403 /nfs/dbraw/zinc/74/94/03/489749403.db2.gz GQFQZVPDWDYXAP-KRWDZBQOSA-N 2 2 352.504 0.930 20 0 FCADLP Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602139 489750466 /nfs/dbraw/zinc/75/04/66/489750466.db2.gz GKGWRPURGACZBS-CYBMUJFWSA-N 2 2 351.476 0.534 20 0 FCADLP Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430602139 489750471 /nfs/dbraw/zinc/75/04/71/489750471.db2.gz GKGWRPURGACZBS-CYBMUJFWSA-N 2 2 351.476 0.534 20 0 FCADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612886 489753274 /nfs/dbraw/zinc/75/32/74/489753274.db2.gz UOWQEHIIWQVMPH-JKSUJKDBSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612886 489753277 /nfs/dbraw/zinc/75/32/77/489753277.db2.gz UOWQEHIIWQVMPH-JKSUJKDBSA-N 2 2 354.495 0.062 20 0 FCADLP [NH3+][C@H]1CCC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430619096 489755054 /nfs/dbraw/zinc/75/50/54/489755054.db2.gz ZAUUOSRVUXMSOY-HNNXBMFYSA-N 2 2 369.487 0.509 20 0 FCADLP [NH3+][C@H]1CCC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430619096 489755058 /nfs/dbraw/zinc/75/50/58/489755058.db2.gz ZAUUOSRVUXMSOY-HNNXBMFYSA-N 2 2 369.487 0.509 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430618051 489755197 /nfs/dbraw/zinc/75/51/97/489755197.db2.gz QWAWZHGUIZIPER-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430618051 489755201 /nfs/dbraw/zinc/75/52/01/489755201.db2.gz QWAWZHGUIZIPER-AWEZNQCLSA-N 2 2 368.503 0.855 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430624757 489757943 /nfs/dbraw/zinc/75/79/43/489757943.db2.gz PNAIRDDABJOWTD-KBPBESRZSA-N 2 2 350.438 0.755 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430624757 489757946 /nfs/dbraw/zinc/75/79/46/489757946.db2.gz PNAIRDDABJOWTD-KBPBESRZSA-N 2 2 350.438 0.755 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430635122 489759480 /nfs/dbraw/zinc/75/94/80/489759480.db2.gz ULDQXLWFXHLJIO-KRWDZBQOSA-N 3 2 360.502 0.806 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430635122 489759483 /nfs/dbraw/zinc/75/94/83/489759483.db2.gz ULDQXLWFXHLJIO-KRWDZBQOSA-N 3 2 360.502 0.806 20 0 FCADLP [NH3+]C[C@@H]1CCCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000430635122 489759486 /nfs/dbraw/zinc/75/94/86/489759486.db2.gz ULDQXLWFXHLJIO-KRWDZBQOSA-N 2 2 360.502 0.806 20 0 FCADLP C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC[NH2+]CC1 ZINC000430637588 489760079 /nfs/dbraw/zinc/76/00/79/489760079.db2.gz CRJPBACDMCKCTL-UHFFFAOYSA-N 2 2 360.867 0.610 20 0 FCADLP C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC[NH2+]CC1 ZINC000430637588 489760084 /nfs/dbraw/zinc/76/00/84/489760084.db2.gz CRJPBACDMCKCTL-UHFFFAOYSA-N 2 2 360.867 0.610 20 0 FCADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430666391 489763966 /nfs/dbraw/zinc/76/39/66/489763966.db2.gz NZVUCLDMZMEJPB-CYBMUJFWSA-N 2 2 350.488 0.385 20 0 FCADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430666391 489763970 /nfs/dbraw/zinc/76/39/70/489763970.db2.gz NZVUCLDMZMEJPB-CYBMUJFWSA-N 2 2 350.488 0.385 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000430689409 489764988 /nfs/dbraw/zinc/76/49/88/489764988.db2.gz CPYOADISFJAPMV-YQQAZPJKSA-N 2 2 354.495 0.108 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430709551 489765475 /nfs/dbraw/zinc/76/54/75/489765475.db2.gz NVPACUUDQDWUAD-UHFFFAOYSA-N 2 2 360.458 0.209 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430736128 489767525 /nfs/dbraw/zinc/76/75/25/489767525.db2.gz ZXYOJVWVYDQYHV-HZPDHXFCSA-N 2 2 366.506 0.062 20 0 FCADLP COCC[C@@]1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]C1 ZINC000430732857 489767551 /nfs/dbraw/zinc/76/75/51/489767551.db2.gz CFAAFLKRZRRIPJ-IBGZPJMESA-N 2 2 366.506 0.063 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000430732112 489767628 /nfs/dbraw/zinc/76/76/28/489767628.db2.gz YYTLJDPQPBOUMM-KRWDZBQOSA-N 2 2 350.507 0.827 20 0 FCADLP COCC[NH2+]CC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430727611 489767967 /nfs/dbraw/zinc/76/79/67/489767967.db2.gz YZZNYMLKCPBLFZ-UHFFFAOYSA-N 2 2 354.495 0.063 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)c1ccccc1Cl ZINC000418875838 489769726 /nfs/dbraw/zinc/76/97/26/489769726.db2.gz LAVSPOPRDRAJTA-HNNXBMFYSA-N 2 2 352.866 0.927 20 0 FCADLP CCN1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474574401 489770400 /nfs/dbraw/zinc/77/04/00/489770400.db2.gz HVFZTPWXTQPTEF-HNNXBMFYSA-N 2 2 364.494 0.909 20 0 FCADLP CCN1CCN(C(=O)NCC[N@H+](C)CCCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474579333 489770926 /nfs/dbraw/zinc/77/09/26/489770926.db2.gz QMIIMFZWIMBJED-HNNXBMFYSA-N 2 2 352.483 0.766 20 0 FCADLP CCN1CCN(C(=O)NCC[N@@H+](C)CCCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474579333 489770927 /nfs/dbraw/zinc/77/09/27/489770927.db2.gz QMIIMFZWIMBJED-HNNXBMFYSA-N 2 2 352.483 0.766 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1Cl ZINC000418877907 489771263 /nfs/dbraw/zinc/77/12/63/489771263.db2.gz PXJVTSOWDAVQEB-OAHLLOKOSA-N 2 2 352.866 0.881 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1Cl ZINC000418881256 489773664 /nfs/dbraw/zinc/77/36/64/489773664.db2.gz WXOGOAUIEJRPRF-GFCCVEGCSA-N 2 2 362.808 0.769 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC000459868597 489774524 /nfs/dbraw/zinc/77/45/24/489774524.db2.gz AZNKULZDUCKRFF-FGTMMUONSA-N 2 2 356.470 0.664 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC000459868597 489774529 /nfs/dbraw/zinc/77/45/29/489774529.db2.gz AZNKULZDUCKRFF-FGTMMUONSA-N 2 2 356.470 0.664 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC000459868597 489774535 /nfs/dbraw/zinc/77/45/35/489774535.db2.gz AZNKULZDUCKRFF-FGTMMUONSA-N 2 2 356.470 0.664 20 0 FCADLP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000430878100 489774539 /nfs/dbraw/zinc/77/45/39/489774539.db2.gz HCCBMFRCUILOLA-INIZCTEOSA-N 2 2 362.478 0.530 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000418883519 489774883 /nfs/dbraw/zinc/77/48/83/489774883.db2.gz CLMJJYKTFWEIJD-OAHLLOKOSA-N 2 2 357.458 0.919 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000430910720 489776742 /nfs/dbraw/zinc/77/67/42/489776742.db2.gz XEYJFCJQYRCSOY-OAHLLOKOSA-N 2 2 360.458 0.332 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418889064 489777593 /nfs/dbraw/zinc/77/75/93/489777593.db2.gz PICNHJUGMXMXCZ-CVEARBPZSA-N 2 2 369.469 0.919 20 0 FCADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000430931006 489778357 /nfs/dbraw/zinc/77/83/57/489778357.db2.gz BYEXBNDFPAHUOP-VQIMIIECSA-N 2 2 360.502 0.804 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000430931006 489778363 /nfs/dbraw/zinc/77/83/63/489778363.db2.gz BYEXBNDFPAHUOP-VQIMIIECSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000430931006 489778369 /nfs/dbraw/zinc/77/83/69/489778369.db2.gz BYEXBNDFPAHUOP-VQIMIIECSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430929178 489778418 /nfs/dbraw/zinc/77/84/18/489778418.db2.gz WSFQINFRYOWBKB-WWGRRREGSA-N 2 2 368.503 0.050 20 0 FCADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430929178 489778423 /nfs/dbraw/zinc/77/84/23/489778423.db2.gz WSFQINFRYOWBKB-WWGRRREGSA-N 2 2 368.503 0.050 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430928273 489778769 /nfs/dbraw/zinc/77/87/69/489778769.db2.gz LACGCSJLGZYZMT-CQSZACIVSA-N 2 2 352.504 0.754 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430928273 489778770 /nfs/dbraw/zinc/77/87/70/489778770.db2.gz LACGCSJLGZYZMT-CQSZACIVSA-N 2 2 352.504 0.754 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000430930367 489778873 /nfs/dbraw/zinc/77/88/73/489778873.db2.gz SRIMIJAOVASXBE-HNNXBMFYSA-N 2 2 350.467 0.563 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000459880477 489779227 /nfs/dbraw/zinc/77/92/27/489779227.db2.gz AHYOTXQITFIFDP-UHFFFAOYSA-N 2 2 356.511 0.354 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430936214 489780017 /nfs/dbraw/zinc/78/00/17/489780017.db2.gz XXJIJVTUEBPIOG-HOCLYGCPSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H](C)[NH2+]1 ZINC000430949400 489780502 /nfs/dbraw/zinc/78/05/02/489780502.db2.gz CSJVHLXLPNNUAN-IAGOWNOFSA-N 2 2 372.513 0.948 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430951776 489780705 /nfs/dbraw/zinc/78/07/05/489780705.db2.gz NDTRXLRSVSADNR-QWHCGFSZSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430951776 489780708 /nfs/dbraw/zinc/78/07/08/489780708.db2.gz NDTRXLRSVSADNR-QWHCGFSZSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430947524 489781273 /nfs/dbraw/zinc/78/12/73/489781273.db2.gz BKRUBFFMUHYZTF-VQIMIIECSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430947524 489781279 /nfs/dbraw/zinc/78/12/79/489781279.db2.gz BKRUBFFMUHYZTF-VQIMIIECSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947521 489781319 /nfs/dbraw/zinc/78/13/19/489781319.db2.gz BKRUBFFMUHYZTF-APWZRJJASA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430947521 489781327 /nfs/dbraw/zinc/78/13/27/489781327.db2.gz BKRUBFFMUHYZTF-APWZRJJASA-N 3 2 360.502 0.804 20 0 FCADLP Cn1cc(-c2ncc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cn2)cn1 ZINC000474708354 489782289 /nfs/dbraw/zinc/78/22/89/489782289.db2.gz FNRFESFGVLHOHA-OAHLLOKOSA-N 2 2 357.462 0.554 20 0 FCADLP Cn1cc(-c2ncc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)cn2)cn1 ZINC000474708354 489782293 /nfs/dbraw/zinc/78/22/93/489782293.db2.gz FNRFESFGVLHOHA-OAHLLOKOSA-N 2 2 357.462 0.554 20 0 FCADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430967586 489782965 /nfs/dbraw/zinc/78/29/65/489782965.db2.gz UCNGRCBKGKHTDY-AWEZNQCLSA-N 2 2 368.503 0.936 20 0 FCADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430967586 489782968 /nfs/dbraw/zinc/78/29/68/489782968.db2.gz UCNGRCBKGKHTDY-AWEZNQCLSA-N 2 2 368.503 0.936 20 0 FCADLP O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@@H]1C[NH2+]CCO1 ZINC000431012135 489785813 /nfs/dbraw/zinc/78/58/13/489785813.db2.gz WBWBRWNECAGDKQ-INIZCTEOSA-N 2 2 359.430 0.365 20 0 FCADLP O=C(Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)[C@@H]1C[NH2+]CCO1 ZINC000431012135 489785816 /nfs/dbraw/zinc/78/58/16/489785816.db2.gz WBWBRWNECAGDKQ-INIZCTEOSA-N 2 2 359.430 0.365 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000431034033 489786784 /nfs/dbraw/zinc/78/67/84/489786784.db2.gz SQQBARXNXRZGFW-HZPDHXFCSA-N 2 2 371.547 0.876 20 0 FCADLP NC(=O)[C@@H]([NH2+]CC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000431089122 489789005 /nfs/dbraw/zinc/78/90/05/489789005.db2.gz ZAWOMXPIJFPAEX-KRWDZBQOSA-N 2 2 350.438 0.934 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000459912799 489789458 /nfs/dbraw/zinc/78/94/58/489789458.db2.gz BVPSNHYTEUFJNZ-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3ccnn3CC[NH+](C)C)C2)CC1 ZINC000555877648 491278908 /nfs/dbraw/zinc/27/89/08/491278908.db2.gz UTLRQGRSSQRCIX-INIZCTEOSA-N 2 2 363.510 0.688 20 0 FCADLP CCOC(=O)c1coc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000474870158 489791795 /nfs/dbraw/zinc/79/17/95/489791795.db2.gz SILOKAZZBYKYTB-HNNXBMFYSA-N 2 2 365.430 0.479 20 0 FCADLP CC1CC[NH+](CC(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000474945099 489795292 /nfs/dbraw/zinc/79/52/92/489795292.db2.gz JRPJWMSXRZVJDL-MRXNPFEDSA-N 2 2 359.536 0.686 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000459925837 489795989 /nfs/dbraw/zinc/79/59/89/489795989.db2.gz UVAUTIFMVCANGW-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418940426 489797153 /nfs/dbraw/zinc/79/71/53/489797153.db2.gz JHFLXZYBLVUDGP-UHFFFAOYSA-N 2 2 362.499 0.648 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418940426 489797159 /nfs/dbraw/zinc/79/71/59/489797159.db2.gz JHFLXZYBLVUDGP-UHFFFAOYSA-N 2 2 362.499 0.648 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000418983984 489810225 /nfs/dbraw/zinc/81/02/25/489810225.db2.gz DMQAPWMGQPMTLM-DOMZBBRYSA-N 2 2 373.457 0.690 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000459992638 489810669 /nfs/dbraw/zinc/81/06/69/489810669.db2.gz QHZMRDOLKUEBRU-MRXNPFEDSA-N 2 2 374.489 0.169 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CN1CC[NH+]1CCOCC1 ZINC000376886186 489811804 /nfs/dbraw/zinc/81/18/04/489811804.db2.gz GEYRDDYASZVFAY-MELADBBJSA-N 2 2 365.396 0.619 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418997185 489813043 /nfs/dbraw/zinc/81/30/43/489813043.db2.gz OLJQPRRTVSVHSE-UHFFFAOYSA-N 2 2 355.442 0.887 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418997136 489813272 /nfs/dbraw/zinc/81/32/72/489813272.db2.gz OGCYRZLOOMJKOA-ZFWWWQNUSA-N 2 2 357.458 0.965 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000491952375 489814947 /nfs/dbraw/zinc/81/49/47/489814947.db2.gz BBECLPGNEGUTHO-IRXDYDNUSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000491952375 489814950 /nfs/dbraw/zinc/81/49/50/489814950.db2.gz BBECLPGNEGUTHO-IRXDYDNUSA-N 2 2 368.522 0.327 20 0 FCADLP COC(=O)CN1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000475306962 489819530 /nfs/dbraw/zinc/81/95/30/489819530.db2.gz WVBPCCIBCDSWEX-QGZVFWFLSA-N 2 2 362.474 0.196 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000431954291 489824943 /nfs/dbraw/zinc/82/49/43/489824943.db2.gz PSGAXPAJWMIBJR-ZDUSSCGKSA-N 2 2 363.462 0.622 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000431987281 489825743 /nfs/dbraw/zinc/82/57/43/489825743.db2.gz QGIXCGDVCCMREO-UHFFFAOYSA-N 2 2 361.446 0.376 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000431987281 489825747 /nfs/dbraw/zinc/82/57/47/489825747.db2.gz QGIXCGDVCCMREO-UHFFFAOYSA-N 2 2 361.446 0.376 20 0 FCADLP CC1(CNC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]CC1 ZINC000419034178 489827364 /nfs/dbraw/zinc/82/73/64/489827364.db2.gz DCNMPFIBPUYEQS-UHFFFAOYSA-N 2 2 355.442 0.994 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000460049024 489831892 /nfs/dbraw/zinc/83/18/92/489831892.db2.gz ARXPKUKWVJYORJ-INIZCTEOSA-N 2 2 368.522 0.356 20 0 FCADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000460052082 489833568 /nfs/dbraw/zinc/83/35/68/489833568.db2.gz DEFCYUAZIQRCJU-QGZVFWFLSA-N 2 2 350.507 0.731 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000492727689 489835718 /nfs/dbraw/zinc/83/57/18/489835718.db2.gz KKPCQAKDUJEVHD-UHFFFAOYSA-N 2 2 362.434 0.837 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000492727689 489835724 /nfs/dbraw/zinc/83/57/24/489835724.db2.gz KKPCQAKDUJEVHD-UHFFFAOYSA-N 2 2 362.434 0.837 20 0 FCADLP C[C@H]1C[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000475578416 489837211 /nfs/dbraw/zinc/83/72/11/489837211.db2.gz AYSODOCUNCHCBK-LSDHHAIUSA-N 2 2 350.467 0.820 20 0 FCADLP C[C@H]1C[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000475578416 489837216 /nfs/dbraw/zinc/83/72/16/489837216.db2.gz AYSODOCUNCHCBK-LSDHHAIUSA-N 2 2 350.467 0.820 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475578361 489837325 /nfs/dbraw/zinc/83/73/25/489837325.db2.gz AJBANQAGLVMENO-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419060207 489839400 /nfs/dbraw/zinc/83/94/00/489839400.db2.gz DXFFZEHQTXVDCO-HRCADAONSA-N 2 2 368.522 0.591 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[NH2+]1 ZINC000419070089 489844567 /nfs/dbraw/zinc/84/45/67/489844567.db2.gz GSGYRGZGQQYVAB-DOMZBBRYSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C[C@@H](C)[NH2+]1 ZINC000419071772 489845386 /nfs/dbraw/zinc/84/53/86/489845386.db2.gz IZAWPRGAUNEVOK-XJKCOSOUSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C[C@H](C)[NH2+]1 ZINC000419071768 489845666 /nfs/dbraw/zinc/84/56/66/489845666.db2.gz IZAWPRGAUNEVOK-DVOMOZLQSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000419081392 489849470 /nfs/dbraw/zinc/84/94/70/489849470.db2.gz YPZQJPCZSURZBF-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000419081392 489849475 /nfs/dbraw/zinc/84/94/75/489849475.db2.gz YPZQJPCZSURZBF-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419083421 489850395 /nfs/dbraw/zinc/85/03/95/489850395.db2.gz RDWBVCFMDPZWOY-SWLSCSKDSA-N 2 2 359.405 0.585 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCCS1(=O)=O ZINC000475912962 489857556 /nfs/dbraw/zinc/85/75/56/489857556.db2.gz UHPICYKKGBAWEB-JKSUJKDBSA-N 2 2 359.536 0.828 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCCS1(=O)=O ZINC000475912962 489857559 /nfs/dbraw/zinc/85/75/59/489857559.db2.gz UHPICYKKGBAWEB-JKSUJKDBSA-N 2 2 359.536 0.828 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419111580 489859972 /nfs/dbraw/zinc/85/99/72/489859972.db2.gz DRLAZYVKQRXYEC-RYUDHWBXSA-N 2 2 361.833 0.672 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000419114576 489861448 /nfs/dbraw/zinc/86/14/48/489861448.db2.gz IJRAEAJCVNDJLA-GOSISDBHSA-N 2 2 374.485 0.379 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[NH2+]C1 ZINC000419115600 489861908 /nfs/dbraw/zinc/86/19/08/489861908.db2.gz KBUYNKWVUUUFOU-LJQANCHMSA-N 2 2 359.474 0.804 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419117110 489862762 /nfs/dbraw/zinc/86/27/62/489862762.db2.gz LYKTYRTVSMENLT-VQIMIIECSA-N 2 2 366.506 0.062 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000564020038 491284062 /nfs/dbraw/zinc/28/40/62/491284062.db2.gz WHAGLQSIWIQKJU-HNNXBMFYSA-N 2 2 365.478 0.651 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119809 489864603 /nfs/dbraw/zinc/86/46/03/489864603.db2.gz PGCHLHUHGVKCKJ-ZACQAIPSSA-N 2 2 368.522 0.435 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419121353 489865217 /nfs/dbraw/zinc/86/52/17/489865217.db2.gz DGMXNOZDFSANIM-RDJZCZTQSA-N 2 2 369.469 0.704 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419121352 489865445 /nfs/dbraw/zinc/86/54/45/489865445.db2.gz DGMXNOZDFSANIM-NVXWUHKLSA-N 2 2 369.469 0.704 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419121058 489865484 /nfs/dbraw/zinc/86/54/84/489865484.db2.gz RMQQMTTWYGODFX-UXLLHSPISA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419123109 489866998 /nfs/dbraw/zinc/86/69/98/489866998.db2.gz VDRFPWPLZMDNJK-QAPCUYQASA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419125074 489868776 /nfs/dbraw/zinc/86/87/76/489868776.db2.gz YVSWRSAVZIXVFI-GVDBMIGSSA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419981057 489872009 /nfs/dbraw/zinc/87/20/09/489872009.db2.gz RRPZXZDCSHQOLC-ZIAGYGMSSA-N 2 2 363.462 0.227 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494206941 489875414 /nfs/dbraw/zinc/87/54/14/489875414.db2.gz AFNREVYQDVVHDO-QGZVFWFLSA-N 2 2 367.538 0.565 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494206941 489875416 /nfs/dbraw/zinc/87/54/16/489875416.db2.gz AFNREVYQDVVHDO-QGZVFWFLSA-N 2 2 367.538 0.565 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494206941 489875421 /nfs/dbraw/zinc/87/54/21/489875421.db2.gz AFNREVYQDVVHDO-QGZVFWFLSA-N 2 2 367.538 0.565 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494206941 489875426 /nfs/dbraw/zinc/87/54/26/489875426.db2.gz AFNREVYQDVVHDO-QGZVFWFLSA-N 2 2 367.538 0.565 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420020013 489882650 /nfs/dbraw/zinc/88/26/50/489882650.db2.gz RLHTVGARMBBFTB-JKSUJKDBSA-N 2 2 354.495 0.189 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCO1 ZINC000433448160 489884403 /nfs/dbraw/zinc/88/44/03/489884403.db2.gz UOWUVDPGHSNRDA-MRXNPFEDSA-N 2 2 364.494 0.738 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCO1 ZINC000433448160 489884407 /nfs/dbraw/zinc/88/44/07/489884407.db2.gz UOWUVDPGHSNRDA-MRXNPFEDSA-N 2 2 364.494 0.738 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420026220 489884884 /nfs/dbraw/zinc/88/48/84/489884884.db2.gz ZXDAUMISLZTCQQ-XIRDDKMYSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420026220 489884886 /nfs/dbraw/zinc/88/48/86/489884886.db2.gz ZXDAUMISLZTCQQ-XIRDDKMYSA-N 3 2 367.538 0.245 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000420029974 489886433 /nfs/dbraw/zinc/88/64/33/489886433.db2.gz FZPXJBRXUZLYIL-INIZCTEOSA-N 2 2 359.474 0.779 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420033393 489887539 /nfs/dbraw/zinc/88/75/39/489887539.db2.gz AYJFDNAUXACDJT-OAHLLOKOSA-N 2 2 354.495 0.252 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420033393 489887542 /nfs/dbraw/zinc/88/75/42/489887542.db2.gz AYJFDNAUXACDJT-OAHLLOKOSA-N 2 2 354.495 0.252 20 0 FCADLP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000420042340 489891042 /nfs/dbraw/zinc/89/10/42/489891042.db2.gz NMIZCLKHLKWDOI-QGZVFWFLSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420044743 489891836 /nfs/dbraw/zinc/89/18/36/489891836.db2.gz UBPYNJVRPZZUMU-DOTOQJQBSA-N 2 2 374.485 0.560 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000420047935 489892630 /nfs/dbraw/zinc/89/26/30/489892630.db2.gz WOXPLQWPFJCEDM-HNNXBMFYSA-N 2 2 374.489 0.411 20 0 FCADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(CC(=O)NC)no2)CC1 ZINC000494566788 489896158 /nfs/dbraw/zinc/89/61/58/489896158.db2.gz WYVMEOPFKRYJPW-UHFFFAOYSA-N 2 2 353.467 0.681 20 0 FCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000476526317 489897260 /nfs/dbraw/zinc/89/72/60/489897260.db2.gz SOSYHAIEKOZBJM-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494639746 489901689 /nfs/dbraw/zinc/90/16/89/489901689.db2.gz WMDVFKHVTHQQBJ-INIZCTEOSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420074811 489903258 /nfs/dbraw/zinc/90/32/58/489903258.db2.gz ZXIWBVDOAQQKBY-NUJGCVRESA-N 2 2 373.501 0.921 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433940976 489905712 /nfs/dbraw/zinc/90/57/12/489905712.db2.gz NWWVKDXFJYSJLP-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000434171160 489914633 /nfs/dbraw/zinc/91/46/33/489914633.db2.gz XTSCISNBQGHUFU-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000434171160 489914639 /nfs/dbraw/zinc/91/46/39/489914639.db2.gz XTSCISNBQGHUFU-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCCOC)CC2)CCO1 ZINC000494878655 489917710 /nfs/dbraw/zinc/91/77/10/489917710.db2.gz PFMULMRERSZQTF-QGZVFWFLSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCCOC)CC2)CCO1 ZINC000494878655 489917713 /nfs/dbraw/zinc/91/77/13/489917713.db2.gz PFMULMRERSZQTF-QGZVFWFLSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H](CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000434414392 489926492 /nfs/dbraw/zinc/92/64/92/489926492.db2.gz XOBPGDZTJCJOTC-IAGOWNOFSA-N 2 2 355.527 0.232 20 0 FCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477026491 489932145 /nfs/dbraw/zinc/93/21/45/489932145.db2.gz RQNLDCFXMKCULA-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000477080041 489939606 /nfs/dbraw/zinc/93/96/06/489939606.db2.gz GGPUZLOUAFVEFX-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000477080041 489939610 /nfs/dbraw/zinc/93/96/10/489939610.db2.gz GGPUZLOUAFVEFX-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420203340 489951642 /nfs/dbraw/zinc/95/16/42/489951642.db2.gz ODZLMTSGSAQGAO-DOTOQJQBSA-N 2 2 374.485 0.583 20 0 FCADLP C[C@@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@H](C[NH3+])C1 ZINC000420258165 489958439 /nfs/dbraw/zinc/95/84/39/489958439.db2.gz JQXCVYRENNRLSJ-CABCVRRESA-N 2 2 367.519 0.581 20 0 FCADLP Cn1c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nnc1-c1ccccc1 ZINC000420312990 489962279 /nfs/dbraw/zinc/96/22/79/489962279.db2.gz SXOMXOLEVCDKMU-MRXNPFEDSA-N 2 2 354.458 0.878 20 0 FCADLP Cn1c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nnc1-c1ccccc1 ZINC000420312990 489962282 /nfs/dbraw/zinc/96/22/82/489962282.db2.gz SXOMXOLEVCDKMU-MRXNPFEDSA-N 2 2 354.458 0.878 20 0 FCADLP C[C@](O)(CNC(=O)c1cc(C[NH+]2CCCC2)on1)C[NH+]1CCOCC1 ZINC000462195448 489962949 /nfs/dbraw/zinc/96/29/49/489962949.db2.gz ZMGUAPSCJYCUFK-KRWDZBQOSA-N 2 2 352.435 0.083 20 0 FCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346721 489965244 /nfs/dbraw/zinc/96/52/44/489965244.db2.gz DJFNHRMGLPCJRG-LSDHHAIUSA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346721 489965246 /nfs/dbraw/zinc/96/52/46/489965246.db2.gz DJFNHRMGLPCJRG-LSDHHAIUSA-N 2 2 367.291 0.955 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000420353294 489966555 /nfs/dbraw/zinc/96/65/55/489966555.db2.gz AINQKEHRWLAFFA-FCHSOHFDSA-N 2 2 374.894 0.902 20 0 FCADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359310 489967544 /nfs/dbraw/zinc/96/75/44/489967544.db2.gz VONLSMRIEPCNJU-JTQLQIEISA-N 2 2 350.282 0.720 20 0 FCADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359310 489967547 /nfs/dbraw/zinc/96/75/47/489967547.db2.gz VONLSMRIEPCNJU-JTQLQIEISA-N 2 2 350.282 0.720 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000420364653 489967773 /nfs/dbraw/zinc/96/77/73/489967773.db2.gz KJMQGTGVTNEFTP-OXJKWZBOSA-N 2 2 354.476 0.637 20 0 FCADLP CCCCN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000420355629 489967799 /nfs/dbraw/zinc/96/77/99/489967799.db2.gz CDCZEWPCRLAEHA-JYYAWHABSA-N 2 2 359.536 0.778 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CCCO1 ZINC000420379032 489969250 /nfs/dbraw/zinc/96/92/50/489969250.db2.gz AFTWAMYVEPTKAG-HNNXBMFYSA-N 2 2 357.401 0.996 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CCCO1 ZINC000420379032 489969252 /nfs/dbraw/zinc/96/92/52/489969252.db2.gz AFTWAMYVEPTKAG-HNNXBMFYSA-N 2 2 357.401 0.996 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420383471 489969672 /nfs/dbraw/zinc/96/96/72/489969672.db2.gz QPYKCDHKYLZTHV-HUUCEWRRSA-N 2 2 362.474 0.975 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420383471 489969675 /nfs/dbraw/zinc/96/96/75/489969675.db2.gz QPYKCDHKYLZTHV-HUUCEWRRSA-N 2 2 362.474 0.975 20 0 FCADLP COc1ccc(CCNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420379079 489969817 /nfs/dbraw/zinc/96/98/17/489969817.db2.gz AOGCZCKGGYYBDE-OAHLLOKOSA-N 2 2 351.447 0.412 20 0 FCADLP COc1ccc(CCNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1OC ZINC000420379079 489969818 /nfs/dbraw/zinc/96/98/18/489969818.db2.gz AOGCZCKGGYYBDE-OAHLLOKOSA-N 2 2 351.447 0.412 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CCCO1 ZINC000420387557 489970520 /nfs/dbraw/zinc/97/05/20/489970520.db2.gz KILVVTIYXLVMLS-GOSISDBHSA-N 2 2 357.458 0.581 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CCCO1 ZINC000420387557 489970523 /nfs/dbraw/zinc/97/05/23/489970523.db2.gz KILVVTIYXLVMLS-GOSISDBHSA-N 2 2 357.458 0.581 20 0 FCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420388961 489970633 /nfs/dbraw/zinc/97/06/33/489970633.db2.gz MYXSQRZZYUXVJZ-UHFFFAOYSA-N 2 2 368.503 0.061 20 0 FCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420388961 489970635 /nfs/dbraw/zinc/97/06/35/489970635.db2.gz MYXSQRZZYUXVJZ-UHFFFAOYSA-N 2 2 368.503 0.061 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000420389950 489970770 /nfs/dbraw/zinc/97/07/70/489970770.db2.gz MRLRNZCXNRCJTN-IBGZPJMESA-N 3 2 360.502 0.948 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000420389950 489970775 /nfs/dbraw/zinc/97/07/75/489970775.db2.gz MRLRNZCXNRCJTN-IBGZPJMESA-N 3 2 360.502 0.948 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000462385272 489972937 /nfs/dbraw/zinc/97/29/37/489972937.db2.gz UVGCOGONEUTIRW-LJQANCHMSA-N 2 2 350.507 0.777 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000462385272 489972939 /nfs/dbraw/zinc/97/29/39/489972939.db2.gz UVGCOGONEUTIRW-LJQANCHMSA-N 2 2 350.507 0.777 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000462385271 489973375 /nfs/dbraw/zinc/97/33/75/489973375.db2.gz UVGCOGONEUTIRW-IBGZPJMESA-N 2 2 350.507 0.777 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000462385271 489973377 /nfs/dbraw/zinc/97/33/77/489973377.db2.gz UVGCOGONEUTIRW-IBGZPJMESA-N 2 2 350.507 0.777 20 0 FCADLP Cc1nc(SCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000377955902 489986663 /nfs/dbraw/zinc/98/66/63/489986663.db2.gz NEWQQJNOYLSMMT-UHFFFAOYSA-N 2 2 352.508 0.880 20 0 FCADLP Cc1nnc(SCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000377955902 489986667 /nfs/dbraw/zinc/98/66/67/489986667.db2.gz NEWQQJNOYLSMMT-UHFFFAOYSA-N 2 2 352.508 0.880 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378001943 489994280 /nfs/dbraw/zinc/99/42/80/489994280.db2.gz KVJWVJPLBPZWCC-HNNXBMFYSA-N 3 2 367.538 0.959 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000477995751 489999192 /nfs/dbraw/zinc/99/91/92/489999192.db2.gz VZQYHSIPDYONFT-GJYPPUQNSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000477995751 489999196 /nfs/dbraw/zinc/99/91/96/489999196.db2.gz VZQYHSIPDYONFT-GJYPPUQNSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000435373463 490000063 /nfs/dbraw/zinc/00/00/63/490000063.db2.gz NLPNLHMLOGYGJH-ZBFHGGJFSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000435373463 490000065 /nfs/dbraw/zinc/00/00/65/490000065.db2.gz NLPNLHMLOGYGJH-ZBFHGGJFSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371767 490000247 /nfs/dbraw/zinc/00/02/47/490000247.db2.gz OMGFEEQTXABUHU-GJZGRUSLSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371767 490000249 /nfs/dbraw/zinc/00/02/49/490000249.db2.gz OMGFEEQTXABUHU-GJZGRUSLSA-N 2 2 353.488 0.877 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000435397719 490001066 /nfs/dbraw/zinc/00/10/66/490001066.db2.gz JRYGBEJJFANURS-CYBMUJFWSA-N 2 2 351.447 0.999 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000435397719 490001067 /nfs/dbraw/zinc/00/10/67/490001067.db2.gz JRYGBEJJFANURS-CYBMUJFWSA-N 2 2 351.447 0.999 20 0 FCADLP C[NH+](C)[C@]1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCSC1 ZINC000463425759 490017553 /nfs/dbraw/zinc/01/75/53/490017553.db2.gz VHKQDOWHDHIMFL-AWEZNQCLSA-N 2 2 351.538 0.065 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478421942 490018762 /nfs/dbraw/zinc/01/87/62/490018762.db2.gz QKHNPLRYPSOIHN-MRXNPFEDSA-N 2 2 356.511 0.443 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000420814573 490024193 /nfs/dbraw/zinc/02/41/93/490024193.db2.gz HVMWYPRUTFCEEE-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000420814573 490024197 /nfs/dbraw/zinc/02/41/97/490024197.db2.gz HVMWYPRUTFCEEE-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420908467 490031162 /nfs/dbraw/zinc/03/11/62/490031162.db2.gz WPJBZZAYBMCRFE-KRWDZBQOSA-N 2 2 362.474 0.788 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420908467 490031165 /nfs/dbraw/zinc/03/11/65/490031165.db2.gz WPJBZZAYBMCRFE-KRWDZBQOSA-N 2 2 362.474 0.788 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946749 490034205 /nfs/dbraw/zinc/03/42/05/490034205.db2.gz OARCCIABPUISKM-KRWDZBQOSA-N 2 2 353.488 0.772 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420946749 490034207 /nfs/dbraw/zinc/03/42/07/490034207.db2.gz OARCCIABPUISKM-KRWDZBQOSA-N 2 2 353.488 0.772 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438347035 490034761 /nfs/dbraw/zinc/03/47/61/490034761.db2.gz RIFTWBOKQQEXOB-UHFFFAOYSA-N 2 2 352.483 1.069 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](NC(C)=O)C3)CC2)cc1 ZINC000420956056 490035861 /nfs/dbraw/zinc/03/58/61/490035861.db2.gz MNRBNNMXLPLCSP-SFHVURJKSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](NC(C)=O)C3)CC2)cc1 ZINC000420956056 490035864 /nfs/dbraw/zinc/03/58/64/490035864.db2.gz MNRBNNMXLPLCSP-SFHVURJKSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000556111524 491295485 /nfs/dbraw/zinc/29/54/85/491295485.db2.gz HZBULJLZWSTGFZ-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000556111524 491295488 /nfs/dbraw/zinc/29/54/88/491295488.db2.gz HZBULJLZWSTGFZ-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000441076994 490050767 /nfs/dbraw/zinc/05/07/67/490050767.db2.gz FYKXXWYVSMGKSM-UONOGXRCSA-N 2 2 356.430 1.147 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000441076994 490050770 /nfs/dbraw/zinc/05/07/70/490050770.db2.gz FYKXXWYVSMGKSM-UONOGXRCSA-N 2 2 356.430 1.147 20 0 FCADLP COCCOC[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000464730190 490064302 /nfs/dbraw/zinc/06/43/02/490064302.db2.gz KFWHLWBACWLKNX-MRXNPFEDSA-N 2 2 357.495 0.198 20 0 FCADLP COCCOC[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000464730190 490064303 /nfs/dbraw/zinc/06/43/03/490064303.db2.gz KFWHLWBACWLKNX-MRXNPFEDSA-N 2 2 357.495 0.198 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@@H]1[NH+](C)C ZINC000465181483 490091003 /nfs/dbraw/zinc/09/10/03/490091003.db2.gz DOLDFISBVDJMKR-RDJZCZTQSA-N 2 2 365.522 0.522 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000519823149 490093105 /nfs/dbraw/zinc/09/31/05/490093105.db2.gz RSLXSMBAOQXHRW-SFHVURJKSA-N 2 2 373.501 0.977 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000519823149 490093108 /nfs/dbraw/zinc/09/31/08/490093108.db2.gz RSLXSMBAOQXHRW-SFHVURJKSA-N 2 2 373.501 0.977 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000519824124 490093209 /nfs/dbraw/zinc/09/32/09/490093209.db2.gz SDESJRWVKVGCBM-AWEZNQCLSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000506455658 490093740 /nfs/dbraw/zinc/09/37/40/490093740.db2.gz SGJVBQIROXEHMH-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000506455658 490093745 /nfs/dbraw/zinc/09/37/45/490093745.db2.gz SGJVBQIROXEHMH-MRXNPFEDSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564310596 491299898 /nfs/dbraw/zinc/29/98/98/491299898.db2.gz WKIZYYDVXVMDAR-XHSDSOJGSA-N 2 2 366.506 0.321 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000564310596 491299900 /nfs/dbraw/zinc/29/99/00/491299900.db2.gz WKIZYYDVXVMDAR-XHSDSOJGSA-N 2 2 366.506 0.321 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000564310596 491299902 /nfs/dbraw/zinc/29/99/02/491299902.db2.gz WKIZYYDVXVMDAR-XHSDSOJGSA-N 2 2 366.506 0.321 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000564310596 491299906 /nfs/dbraw/zinc/29/99/06/491299906.db2.gz WKIZYYDVXVMDAR-XHSDSOJGSA-N 2 2 366.506 0.321 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000556169749 491300135 /nfs/dbraw/zinc/30/01/35/491300135.db2.gz BURVAQKGXGUQLS-IAGOWNOFSA-N 2 2 367.538 0.071 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000556169749 491300136 /nfs/dbraw/zinc/30/01/36/491300136.db2.gz BURVAQKGXGUQLS-IAGOWNOFSA-N 2 2 367.538 0.071 20 0 FCADLP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479749376 490121162 /nfs/dbraw/zinc/12/11/62/490121162.db2.gz FDZLDAQLCHHRMQ-GARJFASQSA-N 2 2 370.375 0.698 20 0 FCADLP C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479749376 490121166 /nfs/dbraw/zinc/12/11/66/490121166.db2.gz FDZLDAQLCHHRMQ-GARJFASQSA-N 2 2 370.375 0.698 20 0 FCADLP CCN1CCOC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028200 490128784 /nfs/dbraw/zinc/12/87/84/490128784.db2.gz XLPQICJFJVZXOI-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP CCN1CCOC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028200 490128790 /nfs/dbraw/zinc/12/87/90/490128790.db2.gz XLPQICJFJVZXOI-SFHVURJKSA-N 2 2 352.523 0.726 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000479888774 490134598 /nfs/dbraw/zinc/13/45/98/490134598.db2.gz MLCHTZBNZVSHCJ-OAHLLOKOSA-N 2 2 370.538 0.696 20 0 FCADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000479888774 490134604 /nfs/dbraw/zinc/13/46/04/490134604.db2.gz MLCHTZBNZVSHCJ-OAHLLOKOSA-N 2 2 370.538 0.696 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000392071220 490146851 /nfs/dbraw/zinc/14/68/51/490146851.db2.gz HZOJEBBCFDYBJH-JKSUJKDBSA-N 2 2 353.488 0.702 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000520475975 490152865 /nfs/dbraw/zinc/15/28/65/490152865.db2.gz GLXOZPDNGMUYMK-UHFFFAOYSA-N 2 2 364.494 0.859 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCS(C)(=O)=O ZINC000465918294 490153833 /nfs/dbraw/zinc/15/38/33/490153833.db2.gz MACRDXKWJGRANG-HNNXBMFYSA-N 2 2 362.540 0.479 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCS(C)(=O)=O ZINC000465918294 490153841 /nfs/dbraw/zinc/15/38/41/490153841.db2.gz MACRDXKWJGRANG-HNNXBMFYSA-N 2 2 362.540 0.479 20 0 FCADLP NC(=O)c1c[nH+]ccc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000545864802 490158942 /nfs/dbraw/zinc/15/89/42/490158942.db2.gz CCAHHGOCJUYTBL-UHFFFAOYSA-N 2 2 359.474 0.739 20 0 FCADLP C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864059 490159397 /nfs/dbraw/zinc/15/93/97/490159397.db2.gz NWWKYDCRDZGAAR-HNAYVOBHSA-N 2 2 364.465 0.519 20 0 FCADLP C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000545864059 490159402 /nfs/dbraw/zinc/15/94/02/490159402.db2.gz NWWKYDCRDZGAAR-HNAYVOBHSA-N 2 2 364.465 0.519 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000446703182 490161967 /nfs/dbraw/zinc/16/19/67/490161967.db2.gz VLMFZWMAAVZUMW-UHFFFAOYSA-N 2 2 367.413 1.208 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000497510387 490170262 /nfs/dbraw/zinc/17/02/62/490170262.db2.gz ZGRVUDBRCDFYAJ-YCPHGPKFSA-N 2 2 354.401 0.808 20 0 FCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000497510387 490170263 /nfs/dbraw/zinc/17/02/63/490170263.db2.gz ZGRVUDBRCDFYAJ-YCPHGPKFSA-N 2 2 354.401 0.808 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000571405047 491305662 /nfs/dbraw/zinc/30/56/62/491305662.db2.gz KEROLTWQQNYPCK-GDBMZVCRSA-N 2 2 365.499 0.846 20 0 FCADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000480491875 490201318 /nfs/dbraw/zinc/20/13/18/490201318.db2.gz KWBHNBKIEZIQCT-LJQANCHMSA-N 2 2 358.442 0.994 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721107 490203092 /nfs/dbraw/zinc/20/30/92/490203092.db2.gz RDQKBCFLBOBYDS-FVQBIDKESA-N 2 2 353.488 0.700 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000497721107 490203102 /nfs/dbraw/zinc/20/31/02/490203102.db2.gz RDQKBCFLBOBYDS-FVQBIDKESA-N 2 2 353.488 0.700 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556282215 491307624 /nfs/dbraw/zinc/30/76/24/491307624.db2.gz WNCVFENXHGYTBG-HNNXBMFYSA-N 2 2 361.490 0.678 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000556282215 491307626 /nfs/dbraw/zinc/30/76/26/491307626.db2.gz WNCVFENXHGYTBG-HNNXBMFYSA-N 2 2 361.490 0.678 20 0 FCADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308689 490210576 /nfs/dbraw/zinc/21/05/76/490210576.db2.gz VMDUUROIOLVYJA-MJGOQNOKSA-N 2 2 352.523 0.817 20 0 FCADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308689 490210583 /nfs/dbraw/zinc/21/05/83/490210583.db2.gz VMDUUROIOLVYJA-MJGOQNOKSA-N 2 2 352.523 0.817 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000497777355 490213421 /nfs/dbraw/zinc/21/34/21/490213421.db2.gz YOIPYCFFIFWJSG-MRXNPFEDSA-N 2 2 353.488 0.313 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000497777355 490213430 /nfs/dbraw/zinc/21/34/30/490213430.db2.gz YOIPYCFFIFWJSG-MRXNPFEDSA-N 2 2 353.488 0.313 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000447370479 490224915 /nfs/dbraw/zinc/22/49/15/490224915.db2.gz BGDSDNAAXJQFHZ-MRXNPFEDSA-N 2 2 357.495 0.029 20 0 FCADLP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000507483338 490227748 /nfs/dbraw/zinc/22/77/48/490227748.db2.gz RHPDLLAMQBCHEQ-RHSMWYFYSA-N 2 2 362.478 0.818 20 0 FCADLP COCCn1cc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000507497152 490228492 /nfs/dbraw/zinc/22/84/92/490228492.db2.gz JSUCUXOYCQEUBV-UHFFFAOYSA-N 2 2 352.483 0.355 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000556359769 491311409 /nfs/dbraw/zinc/31/14/09/491311409.db2.gz HFBPHGLRWSWFDT-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000556359769 491311410 /nfs/dbraw/zinc/31/14/10/491311410.db2.gz HFBPHGLRWSWFDT-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP O=C(CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[NH2+]CC1 ZINC000521361717 490252684 /nfs/dbraw/zinc/25/26/84/490252684.db2.gz OKQPUBPUPNOKOZ-UHFFFAOYSA-N 2 2 374.489 0.693 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000408147765 490257912 /nfs/dbraw/zinc/25/79/12/490257912.db2.gz CFSGDZRZHLJDKB-UHFFFAOYSA-N 2 2 359.536 0.989 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000498195499 490269424 /nfs/dbraw/zinc/26/94/24/490269424.db2.gz KNYJEIOFTHAYIK-CQSZACIVSA-N 2 2 360.449 0.810 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000498197169 490269546 /nfs/dbraw/zinc/26/95/46/490269546.db2.gz XHTOBMNVMJOVIY-CQSZACIVSA-N 2 2 372.391 0.682 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000533643864 490271716 /nfs/dbraw/zinc/27/17/16/490271716.db2.gz VANLSIBLWCSLDS-GJZGRUSLSA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000533643864 490271719 /nfs/dbraw/zinc/27/17/19/490271719.db2.gz VANLSIBLWCSLDS-GJZGRUSLSA-N 2 2 362.540 0.477 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000422360232 490276705 /nfs/dbraw/zinc/27/67/05/490276705.db2.gz FKSJYLUPPVFAHP-OAHLLOKOSA-N 2 2 359.474 0.767 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000422360232 490276717 /nfs/dbraw/zinc/27/67/17/490276717.db2.gz FKSJYLUPPVFAHP-OAHLLOKOSA-N 2 2 359.474 0.767 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000483090578 490281353 /nfs/dbraw/zinc/28/13/53/490281353.db2.gz PMYKFOVTYNWZDE-ZDUSSCGKSA-N 2 2 361.364 0.982 20 0 FCADLP CN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533813127 490286526 /nfs/dbraw/zinc/28/65/26/490286526.db2.gz XSODKZJLXBAKLP-KRWDZBQOSA-N 2 2 373.505 0.477 20 0 FCADLP CN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000533813127 490286533 /nfs/dbraw/zinc/28/65/33/490286533.db2.gz XSODKZJLXBAKLP-KRWDZBQOSA-N 2 2 373.505 0.477 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866181 490293578 /nfs/dbraw/zinc/29/35/78/490293578.db2.gz RIDCAYRBJHZASK-DOTOQJQBSA-N 2 2 355.442 0.813 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000533866181 490293584 /nfs/dbraw/zinc/29/35/84/490293584.db2.gz RIDCAYRBJHZASK-DOTOQJQBSA-N 2 2 355.442 0.813 20 0 FCADLP CC(=O)N[C@H](C)C1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000483227223 490295785 /nfs/dbraw/zinc/29/57/85/490295785.db2.gz KZDXAUKSIHWNIS-OAHLLOKOSA-N 2 2 367.538 0.959 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000564585231 491315391 /nfs/dbraw/zinc/31/53/91/491315391.db2.gz KQRPRBNZLDYNIU-GDBMZVCRSA-N 2 2 370.519 0.946 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000564585231 491315392 /nfs/dbraw/zinc/31/53/92/491315392.db2.gz KQRPRBNZLDYNIU-GDBMZVCRSA-N 2 2 370.519 0.946 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)[C@@H]3CCCO3)CC2)CC1 ZINC000447983764 490306530 /nfs/dbraw/zinc/30/65/30/490306530.db2.gz UCBXXOFLZLPPPL-SJORKVTESA-N 2 2 354.495 0.384 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)ccn12 ZINC000521896216 490308964 /nfs/dbraw/zinc/30/89/64/490308964.db2.gz NDESJWVKLMMWGA-UHFFFAOYSA-N 2 2 358.442 0.942 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000564609766 491316703 /nfs/dbraw/zinc/31/67/03/491316703.db2.gz GPGXLLZDQKMICD-HOTGVXAUSA-N 2 2 373.432 0.872 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000448258443 490323623 /nfs/dbraw/zinc/32/36/23/490323623.db2.gz WLWIROQXHSIZFA-CQSZACIVSA-N 2 2 353.511 0.698 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000448258443 490323628 /nfs/dbraw/zinc/32/36/28/490323628.db2.gz WLWIROQXHSIZFA-CQSZACIVSA-N 2 2 353.511 0.698 20 0 FCADLP CS[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000534216216 490331706 /nfs/dbraw/zinc/33/17/06/490331706.db2.gz IJNVRSRFBGWAGL-GJZGRUSLSA-N 2 2 358.552 0.191 20 0 FCADLP CC(C)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527713 490335669 /nfs/dbraw/zinc/33/56/69/490335669.db2.gz ILWTXSRSGQVJJG-KSZLIROESA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527713 490335674 /nfs/dbraw/zinc/33/56/74/490335674.db2.gz ILWTXSRSGQVJJG-KSZLIROESA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527713 490335678 /nfs/dbraw/zinc/33/56/78/490335678.db2.gz ILWTXSRSGQVJJG-KSZLIROESA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000508527713 490335683 /nfs/dbraw/zinc/33/56/83/490335683.db2.gz ILWTXSRSGQVJJG-KSZLIROESA-N 2 2 354.539 0.874 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000422491051 490357333 /nfs/dbraw/zinc/35/73/33/490357333.db2.gz NJUDNWSTLUENLX-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000422491051 490357339 /nfs/dbraw/zinc/35/73/39/490357339.db2.gz NJUDNWSTLUENLX-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498870870 490360349 /nfs/dbraw/zinc/36/03/49/490360349.db2.gz AASVDTRYFIFGRY-ZACQAIPSSA-N 2 2 361.552 0.995 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1C ZINC000498966764 490373948 /nfs/dbraw/zinc/37/39/48/490373948.db2.gz FKOMTHUODDTRIO-QZTJIDSGSA-N 2 2 369.554 0.501 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1C ZINC000498966764 490373952 /nfs/dbraw/zinc/37/39/52/490373952.db2.gz FKOMTHUODDTRIO-QZTJIDSGSA-N 2 2 369.554 0.501 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529650 490377565 /nfs/dbraw/zinc/37/75/65/490377565.db2.gz QRXYXBSVQKSPAG-WBVHZDCISA-N 2 2 373.505 0.381 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534529650 490377574 /nfs/dbraw/zinc/37/75/74/490377574.db2.gz QRXYXBSVQKSPAG-WBVHZDCISA-N 2 2 373.505 0.381 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000571659415 491321791 /nfs/dbraw/zinc/32/17/91/491321791.db2.gz SCBPGCNWRCXPJC-JTDSTZFVSA-N 2 2 365.522 0.652 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000484184839 490394295 /nfs/dbraw/zinc/39/42/95/490394295.db2.gz BRXYMOKAFZJZMW-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000484184839 490394305 /nfs/dbraw/zinc/39/43/05/490394305.db2.gz BRXYMOKAFZJZMW-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000449339971 490409710 /nfs/dbraw/zinc/40/97/10/490409710.db2.gz ZRTTWJINZRTJFS-RHSMWYFYSA-N 2 2 360.458 0.543 20 0 FCADLP C[C@H]1CN(C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000548032946 490410119 /nfs/dbraw/zinc/41/01/19/490410119.db2.gz LQWMPSNMXRRRNB-KRWDZBQOSA-N 2 2 369.554 0.501 20 0 FCADLP C[C@H]1CN(C(=O)NCCCCN2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000548032946 490410124 /nfs/dbraw/zinc/41/01/24/490410124.db2.gz LQWMPSNMXRRRNB-KRWDZBQOSA-N 2 2 369.554 0.501 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC(C)C ZINC000422576206 490411931 /nfs/dbraw/zinc/41/19/31/490411931.db2.gz QMNNNDDYXOSILP-KRWDZBQOSA-N 2 2 370.538 0.648 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC(C)C ZINC000422576206 490411941 /nfs/dbraw/zinc/41/19/41/490411941.db2.gz QMNNNDDYXOSILP-KRWDZBQOSA-N 2 2 370.538 0.648 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340575 490414758 /nfs/dbraw/zinc/41/47/58/490414758.db2.gz HBPZLAUQLGLQDC-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340575 490414761 /nfs/dbraw/zinc/41/47/61/490414761.db2.gz HBPZLAUQLGLQDC-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000556656923 491325743 /nfs/dbraw/zinc/32/57/43/491325743.db2.gz WBTDVYJCIKCAGP-INIZCTEOSA-N 2 2 363.462 0.103 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634157 490436591 /nfs/dbraw/zinc/43/65/91/490436591.db2.gz JFSANZSEKYGQAT-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634157 490436596 /nfs/dbraw/zinc/43/65/96/490436596.db2.gz JFSANZSEKYGQAT-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000422633593 490436952 /nfs/dbraw/zinc/43/69/52/490436952.db2.gz IODPJAKIBQLIJX-XWTMOSNGSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000422633593 490436961 /nfs/dbraw/zinc/43/69/61/490436961.db2.gz IODPJAKIBQLIJX-XWTMOSNGSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000422633593 490436968 /nfs/dbraw/zinc/43/69/68/490436968.db2.gz IODPJAKIBQLIJX-XWTMOSNGSA-N 3 2 354.539 0.765 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000422633593 490436976 /nfs/dbraw/zinc/43/69/76/490436976.db2.gz IODPJAKIBQLIJX-XWTMOSNGSA-N 3 2 354.539 0.765 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000523211353 490449313 /nfs/dbraw/zinc/44/93/13/490449313.db2.gz OEABJZZIMRVNDO-INIZCTEOSA-N 2 2 364.494 0.905 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000523211353 490449320 /nfs/dbraw/zinc/44/93/20/490449320.db2.gz OEABJZZIMRVNDO-INIZCTEOSA-N 2 2 364.494 0.905 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000523305536 490455538 /nfs/dbraw/zinc/45/55/38/490455538.db2.gz AQXZEDRHSBZUPH-MRXNPFEDSA-N 2 2 353.492 0.699 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000509718478 490455609 /nfs/dbraw/zinc/45/56/09/490455609.db2.gz YGTDTOLTDQDHAL-HZPDHXFCSA-N 2 2 365.478 0.377 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000509718478 490455619 /nfs/dbraw/zinc/45/56/19/490455619.db2.gz YGTDTOLTDQDHAL-HZPDHXFCSA-N 2 2 365.478 0.377 20 0 FCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422708281 490462999 /nfs/dbraw/zinc/46/29/99/490462999.db2.gz IUTHDQUOVCPURZ-CABCVRRESA-N 3 2 355.508 0.249 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422709175 490463144 /nfs/dbraw/zinc/46/31/44/490463144.db2.gz JXFDLAGHTVSXBA-RBUKOAKNSA-N 2 2 360.502 0.817 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(c3nc[nH+]c(N)c3OC)CC2)CC1 ZINC000571775795 491328322 /nfs/dbraw/zinc/32/83/22/491328322.db2.gz IKUBBLMHXJHNRE-UHFFFAOYSA-N 2 2 362.478 0.838 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(c3[nH+]cnc(N)c3OC)CC2)CC1 ZINC000571775795 491328323 /nfs/dbraw/zinc/32/83/23/491328323.db2.gz IKUBBLMHXJHNRE-UHFFFAOYSA-N 2 2 362.478 0.838 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000535263566 490471855 /nfs/dbraw/zinc/47/18/55/490471855.db2.gz AEBPHIBVNYPUNS-CVEARBPZSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000535263566 490471859 /nfs/dbraw/zinc/47/18/59/490471859.db2.gz AEBPHIBVNYPUNS-CVEARBPZSA-N 2 2 361.494 0.381 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000422771117 490474471 /nfs/dbraw/zinc/47/44/71/490474471.db2.gz XTJLZUGPJQFMID-AWEZNQCLSA-N 2 2 353.488 0.751 20 0 FCADLP COc1cc2[nH+]c(NC[C@@H]3CCC[N@@H+]3CCCO)nc(N)c2cc1OC ZINC000450598780 490476951 /nfs/dbraw/zinc/47/69/51/490476951.db2.gz REDCVHTYLUPCHK-LBPRGKRZSA-N 2 2 361.446 0.910 20 0 FCADLP COc1cc2[nH+]c(NC[C@@H]3CCC[N@H+]3CCCO)nc(N)c2cc1OC ZINC000450598780 490476957 /nfs/dbraw/zinc/47/69/57/490476957.db2.gz REDCVHTYLUPCHK-LBPRGKRZSA-N 2 2 361.446 0.910 20 0 FCADLP CC(C)S(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500033285 490479935 /nfs/dbraw/zinc/47/99/35/490479935.db2.gz VSFTUIDYNCNCPB-UHFFFAOYSA-N 2 2 368.503 0.533 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484934130 490480957 /nfs/dbraw/zinc/48/09/57/490480957.db2.gz HLONFWHYQYSSQR-MJBXVCDLSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484934130 490480963 /nfs/dbraw/zinc/48/09/63/490480963.db2.gz HLONFWHYQYSSQR-MJBXVCDLSA-N 2 2 368.503 0.933 20 0 FCADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCSC1 ZINC000564847500 491330873 /nfs/dbraw/zinc/33/08/73/491330873.db2.gz CNIIJWMWDAVCFY-UGSOOPFHSA-N 2 2 363.483 0.670 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209607 490497909 /nfs/dbraw/zinc/49/79/09/490497909.db2.gz OAKLBSMGIKQGBI-UAGQMJEPSA-N 2 2 357.458 1.317 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209607 490497915 /nfs/dbraw/zinc/49/79/15/490497915.db2.gz OAKLBSMGIKQGBI-UAGQMJEPSA-N 2 2 357.458 1.317 20 0 FCADLP C[C@@H](O)CNc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc[nH+]1 ZINC000413072225 490499566 /nfs/dbraw/zinc/49/95/66/490499566.db2.gz MQIRDQLHRPULHX-CZUORRHYSA-N 2 2 353.492 0.889 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422932002 490500429 /nfs/dbraw/zinc/50/04/29/490500429.db2.gz DNKZGNQCGFRDCS-GDBMZVCRSA-N 2 2 371.503 0.468 20 0 FCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000535578418 490503270 /nfs/dbraw/zinc/50/32/70/490503270.db2.gz DHPFGWRKYZYVRX-ZIAGYGMSSA-N 2 2 358.446 0.957 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000422984759 490511890 /nfs/dbraw/zinc/51/18/90/490511890.db2.gz ZCGSTXIIWCUHER-MRXNPFEDSA-N 2 2 366.506 0.204 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C)C1 ZINC000413906586 490512866 /nfs/dbraw/zinc/51/28/66/490512866.db2.gz RWMHTESQNVZHTK-ZBFHGGJFSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C)C1 ZINC000413906586 490512867 /nfs/dbraw/zinc/51/28/67/490512867.db2.gz RWMHTESQNVZHTK-ZBFHGGJFSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906586 490512871 /nfs/dbraw/zinc/51/28/71/490512871.db2.gz RWMHTESQNVZHTK-ZBFHGGJFSA-N 2 2 353.463 0.193 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C)C1 ZINC000413906586 490512873 /nfs/dbraw/zinc/51/28/73/490512873.db2.gz RWMHTESQNVZHTK-ZBFHGGJFSA-N 2 2 353.463 0.193 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000423013026 490519481 /nfs/dbraw/zinc/51/94/81/490519481.db2.gz LWVKOKMOGRMKBY-FQEVSTJZSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423012826 490519894 /nfs/dbraw/zinc/51/98/94/490519894.db2.gz DPYQYXSEJJZXIN-SFHVURJKSA-N 2 2 362.499 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000423025342 490523426 /nfs/dbraw/zinc/52/34/26/490523426.db2.gz LJETVOOJHSUVJZ-WRWLIDTKSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000423025342 490523432 /nfs/dbraw/zinc/52/34/32/490523432.db2.gz LJETVOOJHSUVJZ-WRWLIDTKSA-N 2 2 358.486 0.945 20 0 FCADLP CCN1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000548673963 490526232 /nfs/dbraw/zinc/52/62/32/490526232.db2.gz KVAZJEPPDJRLNX-AWEZNQCLSA-N 2 2 360.466 0.798 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000423041255 490529080 /nfs/dbraw/zinc/52/90/80/490529080.db2.gz WRGZCIHEVHEFAD-INIZCTEOSA-N 2 2 360.458 0.289 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423051573 490529781 /nfs/dbraw/zinc/52/97/81/490529781.db2.gz OPMAANLVJFQWTI-BHIYHBOVSA-N 2 2 361.486 0.813 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423058214 490532075 /nfs/dbraw/zinc/53/20/75/490532075.db2.gz BPZPDXYNEDOQSL-HOTGVXAUSA-N 2 2 364.490 0.988 20 0 FCADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000414073843 490536249 /nfs/dbraw/zinc/53/62/49/490536249.db2.gz GASNGMVPMXIHLR-RDJZCZTQSA-N 2 2 362.474 0.544 20 0 FCADLP O=C(CSCC(=O)N1CC(n2cc[nH+]c2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000536016763 490545954 /nfs/dbraw/zinc/54/59/54/490545954.db2.gz FSLDQIWCKOPELT-UHFFFAOYSA-N 2 2 360.443 0.280 20 0 FCADLP COCCOCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000510888787 490546679 /nfs/dbraw/zinc/54/66/79/490546679.db2.gz YEBKPBJGKRJUOO-UHFFFAOYSA-N 2 2 351.451 0.098 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCOCC1 ZINC000485808494 490560555 /nfs/dbraw/zinc/56/05/55/490560555.db2.gz AHEHILWDRBRSKI-CVEARBPZSA-N 2 2 364.494 0.679 20 0 FCADLP Cn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(-c2ccncc2)n1 ZINC000486014714 490583882 /nfs/dbraw/zinc/58/38/82/490583882.db2.gz CQMIABUKYMGJQL-QGZVFWFLSA-N 2 2 354.458 0.878 20 0 FCADLP Cn1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(-c2ccncc2)n1 ZINC000486014714 490583886 /nfs/dbraw/zinc/58/38/86/490583886.db2.gz CQMIABUKYMGJQL-QGZVFWFLSA-N 2 2 354.458 0.878 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000564944020 491338537 /nfs/dbraw/zinc/33/85/37/491338537.db2.gz DWOAGKNPUYIBAR-IRXDYDNUSA-N 2 2 374.485 0.405 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000564944020 491338539 /nfs/dbraw/zinc/33/85/39/491338539.db2.gz DWOAGKNPUYIBAR-IRXDYDNUSA-N 2 2 374.485 0.405 20 0 FCADLP CC[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000549770240 490602863 /nfs/dbraw/zinc/60/28/63/490602863.db2.gz SWZYOIAZARUXSB-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000549770240 490602865 /nfs/dbraw/zinc/60/28/65/490602865.db2.gz SWZYOIAZARUXSB-CVEARBPZSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511580308 490604703 /nfs/dbraw/zinc/60/47/03/490604703.db2.gz WVDOYRLLFGMHMJ-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000511580308 490604709 /nfs/dbraw/zinc/60/47/09/490604709.db2.gz WVDOYRLLFGMHMJ-WMZOPIPTSA-N 2 2 358.486 0.787 20 0 FCADLP C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000571950120 491339415 /nfs/dbraw/zinc/33/94/15/491339415.db2.gz GVAAFCSTQKMXMT-MRXNPFEDSA-N 2 2 359.536 0.845 20 0 FCADLP C[C@H]1CN(S(=O)(=O)CCC[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000571950120 491339417 /nfs/dbraw/zinc/33/94/17/491339417.db2.gz GVAAFCSTQKMXMT-MRXNPFEDSA-N 2 2 359.536 0.845 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000486401229 490619463 /nfs/dbraw/zinc/61/94/63/490619463.db2.gz WVVBXDMAZWDHFI-LMMKCTJWSA-N 2 2 361.486 0.768 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000486401229 490619471 /nfs/dbraw/zinc/61/94/71/490619471.db2.gz WVVBXDMAZWDHFI-LMMKCTJWSA-N 2 2 361.486 0.768 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCc1ccc(F)cc1 ZINC000486434807 490624327 /nfs/dbraw/zinc/62/43/27/490624327.db2.gz JINXGTUBLDEBGV-QGZVFWFLSA-N 2 2 362.449 0.381 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCCc1ccc(F)cc1 ZINC000486434807 490624334 /nfs/dbraw/zinc/62/43/34/490624334.db2.gz JINXGTUBLDEBGV-QGZVFWFLSA-N 2 2 362.449 0.381 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000550100460 490624762 /nfs/dbraw/zinc/62/47/62/490624762.db2.gz CWKIKHHWKAERIR-UHFFFAOYSA-N 2 2 361.490 0.619 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000550100460 490624766 /nfs/dbraw/zinc/62/47/66/490624766.db2.gz CWKIKHHWKAERIR-UHFFFAOYSA-N 2 2 361.490 0.619 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450670 490628127 /nfs/dbraw/zinc/62/81/27/490628127.db2.gz LKCAVUQQEQYMRH-PBHICJAKSA-N 2 2 362.449 0.899 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450670 490628133 /nfs/dbraw/zinc/62/81/33/490628133.db2.gz LKCAVUQQEQYMRH-PBHICJAKSA-N 2 2 362.449 0.899 20 0 FCADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CCC1 ZINC000571984599 491341255 /nfs/dbraw/zinc/34/12/55/491341255.db2.gz ATMMLDQTYKPIMH-UHFFFAOYSA-N 2 2 365.522 0.892 20 0 FCADLP COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486447864 490628543 /nfs/dbraw/zinc/62/85/43/490628543.db2.gz FTCWVPYNHRPVLF-OAHLLOKOSA-N 2 2 360.458 0.838 20 0 FCADLP COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486447864 490628549 /nfs/dbraw/zinc/62/85/49/490628549.db2.gz FTCWVPYNHRPVLF-OAHLLOKOSA-N 2 2 360.458 0.838 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511825332 490630296 /nfs/dbraw/zinc/63/02/96/490630296.db2.gz XMABYOILHALWHJ-INIZCTEOSA-N 2 2 361.490 0.580 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511825332 490630300 /nfs/dbraw/zinc/63/03/00/490630300.db2.gz XMABYOILHALWHJ-INIZCTEOSA-N 2 2 361.490 0.580 20 0 FCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459153 490630961 /nfs/dbraw/zinc/63/09/61/490630961.db2.gz KAZWSWDZVDOSHL-TWMKSMIVSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486459153 490630969 /nfs/dbraw/zinc/63/09/69/490630969.db2.gz KAZWSWDZVDOSHL-TWMKSMIVSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460026 490633032 /nfs/dbraw/zinc/63/30/32/490633032.db2.gz AGQMVRCUGIBQKY-PBHICJAKSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486460026 490633036 /nfs/dbraw/zinc/63/30/36/490633036.db2.gz AGQMVRCUGIBQKY-PBHICJAKSA-N 2 2 362.449 0.727 20 0 FCADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC(=O)NC1CC1 ZINC000511870928 490633129 /nfs/dbraw/zinc/63/31/29/490633129.db2.gz GTSJXYLUFQAERL-UHFFFAOYSA-N 2 2 373.501 0.724 20 0 FCADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC(=O)NC1CC1 ZINC000511870928 490633137 /nfs/dbraw/zinc/63/31/37/490633137.db2.gz GTSJXYLUFQAERL-UHFFFAOYSA-N 2 2 373.501 0.724 20 0 FCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459161 490633401 /nfs/dbraw/zinc/63/34/01/490633401.db2.gz KAZWSWDZVDOSHL-YYIAUSFCSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459161 490633403 /nfs/dbraw/zinc/63/34/03/490633403.db2.gz KAZWSWDZVDOSHL-YYIAUSFCSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021035 490638442 /nfs/dbraw/zinc/63/84/42/490638442.db2.gz ZGFFZBRHHJBCNT-JKSUJKDBSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537021035 490638450 /nfs/dbraw/zinc/63/84/50/490638450.db2.gz ZGFFZBRHHJBCNT-JKSUJKDBSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000537021035 490638456 /nfs/dbraw/zinc/63/84/56/490638456.db2.gz ZGFFZBRHHJBCNT-JKSUJKDBSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000537021035 490638461 /nfs/dbraw/zinc/63/84/61/490638461.db2.gz ZGFFZBRHHJBCNT-JKSUJKDBSA-N 2 2 367.538 0.057 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000550361610 490664428 /nfs/dbraw/zinc/66/44/28/490664428.db2.gz VOQXNKTWNCDTLF-CQSZACIVSA-N 2 2 356.511 0.306 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000512207870 490665369 /nfs/dbraw/zinc/66/53/69/490665369.db2.gz WWOBUYFSPLJLHN-CQSZACIVSA-N 2 2 362.478 0.576 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000550441443 490670347 /nfs/dbraw/zinc/67/03/47/490670347.db2.gz CKZCSTHTBKXSCR-MRXNPFEDSA-N 2 2 373.457 0.520 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(C(=O)OC)c1 ZINC000556942035 491344883 /nfs/dbraw/zinc/34/48/83/491344883.db2.gz BSIWLKSQEVLOIZ-CQSZACIVSA-N 2 2 364.402 0.366 20 0 FCADLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(C(=O)OC)c1 ZINC000556942035 491344885 /nfs/dbraw/zinc/34/48/85/491344885.db2.gz BSIWLKSQEVLOIZ-CQSZACIVSA-N 2 2 364.402 0.366 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000502094328 490676241 /nfs/dbraw/zinc/67/62/41/490676241.db2.gz CTTUYWMBEIXDSZ-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000502094328 490676244 /nfs/dbraw/zinc/67/62/44/490676244.db2.gz CTTUYWMBEIXDSZ-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000512370391 490677533 /nfs/dbraw/zinc/67/75/33/490677533.db2.gz QDUSIISHALBISM-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000512370391 490677540 /nfs/dbraw/zinc/67/75/40/490677540.db2.gz QDUSIISHALBISM-RTBURBONSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000572048240 491345546 /nfs/dbraw/zinc/34/55/46/491345546.db2.gz GRIYGJAYIQOCDF-INIZCTEOSA-N 2 2 374.489 0.187 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000572048240 491345547 /nfs/dbraw/zinc/34/55/47/491345547.db2.gz GRIYGJAYIQOCDF-INIZCTEOSA-N 2 2 374.489 0.187 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)C)[NH+](C)C)c1 ZINC000512483935 490685188 /nfs/dbraw/zinc/68/51/88/490685188.db2.gz MFWDRGLXNNAPMH-QGZVFWFLSA-N 2 2 364.490 0.871 20 0 FCADLP COc1cccc([C@@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)[NH+](C)C)c1 ZINC000512483935 490685190 /nfs/dbraw/zinc/68/51/90/490685190.db2.gz MFWDRGLXNNAPMH-QGZVFWFLSA-N 2 2 364.490 0.871 20 0 FCADLP COc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000572059092 491345892 /nfs/dbraw/zinc/34/58/92/491345892.db2.gz KFXZCQNETFHOFN-SJLPKXTDSA-N 2 2 372.469 0.430 20 0 FCADLP COc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000572059092 491345893 /nfs/dbraw/zinc/34/58/93/491345893.db2.gz KFXZCQNETFHOFN-SJLPKXTDSA-N 2 2 372.469 0.430 20 0 FCADLP CC1CCC([NH+]2CCN(C(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)CC2)CC1 ZINC000565042127 491347408 /nfs/dbraw/zinc/34/74/08/491347408.db2.gz VOUFWNKGIGSTSE-UHFFFAOYSA-N 2 2 371.547 0.876 20 0 FCADLP CC(C)(CNC(=O)C[NH+]1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC000502507229 490707032 /nfs/dbraw/zinc/70/70/32/490707032.db2.gz SZTQAASWYJKGNF-UHFFFAOYSA-N 2 2 354.495 0.191 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538328039 490726465 /nfs/dbraw/zinc/72/64/65/490726465.db2.gz IOGOELVZZRNROF-MRXNPFEDSA-N 2 2 368.503 0.550 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C[C@@H](C)O1 ZINC000502919418 490730072 /nfs/dbraw/zinc/73/00/72/490730072.db2.gz OVPPASWWLHXBDR-HZPDHXFCSA-N 2 2 364.494 0.736 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(c3cc[nH+]c(N(C)C)n3)CC1)CC2 ZINC000565069231 491350342 /nfs/dbraw/zinc/35/03/42/491350342.db2.gz GLUKKUMZPYKEEF-HNNXBMFYSA-N 2 2 369.473 0.959 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000513457013 490730398 /nfs/dbraw/zinc/73/03/98/490730398.db2.gz HJFZWNACLXCVSH-CQSZACIVSA-N 2 2 364.494 0.146 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513499126 490735633 /nfs/dbraw/zinc/73/56/33/490735633.db2.gz LDHVNUKNKLYHJW-CABCVRRESA-N 2 2 356.511 0.258 20 0 FCADLP CC[N@H+](CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)CCC(F)(F)F ZINC000503109118 490738832 /nfs/dbraw/zinc/73/88/32/490738832.db2.gz IKYQGQMIRPHOLC-CYBMUJFWSA-N 2 2 354.417 0.969 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)CCC(F)(F)F ZINC000503109118 490738835 /nfs/dbraw/zinc/73/88/35/490738835.db2.gz IKYQGQMIRPHOLC-CYBMUJFWSA-N 2 2 354.417 0.969 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1OC ZINC000488031364 490742704 /nfs/dbraw/zinc/74/27/04/490742704.db2.gz DEUBZQPJKJZFTF-IYBDPMFKSA-N 2 2 353.488 0.738 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1OC ZINC000488031364 490742708 /nfs/dbraw/zinc/74/27/08/490742708.db2.gz DEUBZQPJKJZFTF-IYBDPMFKSA-N 2 2 353.488 0.738 20 0 FCADLP C[N@H+](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCSC1 ZINC000488156538 490747668 /nfs/dbraw/zinc/74/76/68/490747668.db2.gz JFPNUPFRHWYYNS-AWEZNQCLSA-N 2 2 353.492 0.591 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCSC1 ZINC000488156538 490747672 /nfs/dbraw/zinc/74/76/72/490747672.db2.gz JFPNUPFRHWYYNS-AWEZNQCLSA-N 2 2 353.492 0.591 20 0 FCADLP CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000572148929 491352154 /nfs/dbraw/zinc/35/21/54/491352154.db2.gz KDOSPIMTNRKUKH-QKPAOTATSA-N 2 2 351.495 0.776 20 0 FCADLP CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000572148929 491352156 /nfs/dbraw/zinc/35/21/56/491352156.db2.gz KDOSPIMTNRKUKH-QKPAOTATSA-N 2 2 351.495 0.776 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000572155940 491352845 /nfs/dbraw/zinc/35/28/45/491352845.db2.gz XVDXEMOSZNLORA-ZBFHGGJFSA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000572155940 491352847 /nfs/dbraw/zinc/35/28/47/491352847.db2.gz XVDXEMOSZNLORA-ZBFHGGJFSA-N 2 2 363.462 0.422 20 0 FCADLP O=C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565093476 491352930 /nfs/dbraw/zinc/35/29/30/491352930.db2.gz RSCIPIYDQIVUTF-RTBURBONSA-N 2 2 374.485 0.520 20 0 FCADLP O=C1Nc2ccccc2C[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000527997429 490771127 /nfs/dbraw/zinc/77/11/27/490771127.db2.gz GLSWTSGJCZLIRW-IBGZPJMESA-N 2 2 358.486 0.936 20 0 FCADLP O=C1Nc2ccccc2C[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000527997429 490771129 /nfs/dbraw/zinc/77/11/29/490771129.db2.gz GLSWTSGJCZLIRW-IBGZPJMESA-N 2 2 358.486 0.936 20 0 FCADLP Cc1cc(C)n(-c2ccc(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cn2)n1 ZINC000557115939 491354273 /nfs/dbraw/zinc/35/42/73/491354273.db2.gz DJNSSAVLBKGSRD-MRXNPFEDSA-N 2 2 357.462 0.668 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851632 490778995 /nfs/dbraw/zinc/77/89/95/490778995.db2.gz JIZKLBNKFNMNQP-WNRNVDISSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488851632 490778997 /nfs/dbraw/zinc/77/89/97/490778997.db2.gz JIZKLBNKFNMNQP-WNRNVDISSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000514669141 490779954 /nfs/dbraw/zinc/77/99/54/490779954.db2.gz UIOCMJSJFBIPJN-IXDOHACOSA-N 2 2 365.522 0.997 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCc2nnc3n2CCCCC3)C[C@H](C)O1 ZINC000514669141 490779955 /nfs/dbraw/zinc/77/99/55/490779955.db2.gz UIOCMJSJFBIPJN-IXDOHACOSA-N 2 2 365.522 0.997 20 0 FCADLP C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000514805127 490789585 /nfs/dbraw/zinc/78/95/85/490789585.db2.gz LCDFAQPOCIBMPK-WBAXXEDZSA-N 2 2 364.465 0.470 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000565162276 491356722 /nfs/dbraw/zinc/35/67/22/491356722.db2.gz HMORZLVTKNMJCF-CYBMUJFWSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000565162276 491356725 /nfs/dbraw/zinc/35/67/25/491356725.db2.gz HMORZLVTKNMJCF-CYBMUJFWSA-N 2 2 355.401 0.316 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000515049587 490805438 /nfs/dbraw/zinc/80/54/38/490805438.db2.gz LEPPTEVOSKMKDJ-ZACQAIPSSA-N 2 2 366.506 0.347 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000515145832 490810142 /nfs/dbraw/zinc/81/01/42/490810142.db2.gz DUMKCJVUWNIPMY-DLBZAZTESA-N 2 2 373.501 0.168 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000557168248 491357406 /nfs/dbraw/zinc/35/74/06/491357406.db2.gz SZLIQAGBHORTKV-GOEBONIOSA-N 2 2 351.495 0.357 20 0 FCADLP CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528617143 490813433 /nfs/dbraw/zinc/81/34/33/490813433.db2.gz AGQMXZINODQEMW-SFHVURJKSA-N 2 2 362.474 0.649 20 0 FCADLP CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528617143 490813434 /nfs/dbraw/zinc/81/34/34/490813434.db2.gz AGQMXZINODQEMW-SFHVURJKSA-N 2 2 362.474 0.649 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000515223197 490814387 /nfs/dbraw/zinc/81/43/87/490814387.db2.gz KLFSDULLNSZZNS-RRFJBIMHSA-N 2 2 351.495 0.369 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322860 490817361 /nfs/dbraw/zinc/81/73/61/490817361.db2.gz ZLDHBDILOZTPKJ-ZHALLVOQSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000540322860 490817363 /nfs/dbraw/zinc/81/73/63/490817363.db2.gz ZLDHBDILOZTPKJ-ZHALLVOQSA-N 3 2 356.555 0.414 20 0 FCADLP C[N@H+](CCc1cccc(NC(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)c1)C1CC1 ZINC000540372715 490819947 /nfs/dbraw/zinc/81/99/47/490819947.db2.gz LRKBTVHAKTZFEV-SFHVURJKSA-N 2 2 374.485 0.709 20 0 FCADLP C[N@@H+](CCc1cccc(NC(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)c1)C1CC1 ZINC000540372715 490819951 /nfs/dbraw/zinc/81/99/51/490819951.db2.gz LRKBTVHAKTZFEV-SFHVURJKSA-N 2 2 374.485 0.709 20 0 FCADLP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)c1)C1CC1 ZINC000540372715 490819954 /nfs/dbraw/zinc/81/99/54/490819954.db2.gz LRKBTVHAKTZFEV-SFHVURJKSA-N 2 2 374.485 0.709 20 0 FCADLP C[NH+](CCc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1)C1CC1 ZINC000540372715 490819957 /nfs/dbraw/zinc/81/99/57/490819957.db2.gz LRKBTVHAKTZFEV-SFHVURJKSA-N 2 2 374.485 0.709 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000515350962 490821205 /nfs/dbraw/zinc/82/12/05/490821205.db2.gz NPTOLEKEPWKAAL-AAEUAGOBSA-N 2 2 352.385 0.419 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)[C@@H](C[NH3+])C1 ZINC000515350962 490821207 /nfs/dbraw/zinc/82/12/07/490821207.db2.gz NPTOLEKEPWKAAL-AAEUAGOBSA-N 2 2 352.385 0.419 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000528728551 490823292 /nfs/dbraw/zinc/82/32/92/490823292.db2.gz CHMYETTXLVMSMW-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000528728551 490823294 /nfs/dbraw/zinc/82/32/94/490823294.db2.gz CHMYETTXLVMSMW-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000540460172 490824099 /nfs/dbraw/zinc/82/40/99/490824099.db2.gz CZABIHNHULBPSO-QGZVFWFLSA-N 2 2 361.490 0.513 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000540460172 490824101 /nfs/dbraw/zinc/82/41/01/490824101.db2.gz CZABIHNHULBPSO-QGZVFWFLSA-N 2 2 361.490 0.513 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000572264706 491359027 /nfs/dbraw/zinc/35/90/27/491359027.db2.gz JIOAVFNJWXJKNA-OAHLLOKOSA-N 2 2 355.442 0.836 20 0 FCADLP COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000572254943 491358709 /nfs/dbraw/zinc/35/87/09/491358709.db2.gz RDPXKICASDUTIP-QGZVFWFLSA-N 2 2 373.453 0.911 20 0 FCADLP COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000572254943 491358711 /nfs/dbraw/zinc/35/87/11/491358711.db2.gz RDPXKICASDUTIP-QGZVFWFLSA-N 2 2 373.453 0.911 20 0 FCADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(=O)N1CCOCC1 ZINC000515686410 490835738 /nfs/dbraw/zinc/83/57/38/490835738.db2.gz VFUWZIOKWJJYMY-INIZCTEOSA-N 2 2 355.479 0.631 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000515832287 490839906 /nfs/dbraw/zinc/83/99/06/490839906.db2.gz PWDFFFDGKULQAX-YJBOKZPZSA-N 2 2 365.474 0.943 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000515842082 490840519 /nfs/dbraw/zinc/84/05/19/490840519.db2.gz LXBPXKSUFZREFI-AWEZNQCLSA-N 2 2 350.488 0.514 20 0 FCADLP C[N@H+]1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000515842082 490840521 /nfs/dbraw/zinc/84/05/21/490840521.db2.gz LXBPXKSUFZREFI-AWEZNQCLSA-N 2 2 350.488 0.514 20 0 FCADLP C[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[NH+]1CCN(C)CC1 ZINC000572301302 491361169 /nfs/dbraw/zinc/36/11/69/491361169.db2.gz AULPDKLKBVXWPZ-WBVHZDCISA-N 2 2 354.564 0.956 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529290899 490847269 /nfs/dbraw/zinc/84/72/69/490847269.db2.gz FTJMXDJVKKTCJT-DOTOQJQBSA-N 2 2 354.495 0.507 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000529305362 490849192 /nfs/dbraw/zinc/84/91/92/490849192.db2.gz KFJQGKIMCYNNHT-HNNXBMFYSA-N 2 2 360.524 0.135 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000516175620 490854387 /nfs/dbraw/zinc/85/43/87/490854387.db2.gz QPVRNZGWLINEMM-CKEIUWERSA-N 2 2 353.438 0.615 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529357463 490856178 /nfs/dbraw/zinc/85/61/78/490856178.db2.gz RBFYGMOWJBVICR-ZIAGYGMSSA-N 2 2 359.478 0.559 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529357463 490856181 /nfs/dbraw/zinc/85/61/81/490856181.db2.gz RBFYGMOWJBVICR-ZIAGYGMSSA-N 2 2 359.478 0.559 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000516900166 490883678 /nfs/dbraw/zinc/88/36/78/490883678.db2.gz ASCAOTJGXKEHME-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000516900166 490883680 /nfs/dbraw/zinc/88/36/80/490883680.db2.gz ASCAOTJGXKEHME-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP C[NH+]1CCC(CNC(=O)c2ccc3[nH+]ccn3c2)(N2CCOCC2)CC1 ZINC000517222091 490899702 /nfs/dbraw/zinc/89/97/02/490899702.db2.gz HWJHOUMFPYRTNR-UHFFFAOYSA-N 2 2 357.458 0.861 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000565238281 491363613 /nfs/dbraw/zinc/36/36/13/491363613.db2.gz GCDWMKIVEZMSFN-MSOLQXFVSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000565238281 491363614 /nfs/dbraw/zinc/36/36/14/491363614.db2.gz GCDWMKIVEZMSFN-MSOLQXFVSA-N 2 2 374.485 0.472 20 0 FCADLP CCC[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000517684313 490916591 /nfs/dbraw/zinc/91/65/91/490916591.db2.gz ZTMYEUQHRBRETE-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759965 490920290 /nfs/dbraw/zinc/92/02/90/490920290.db2.gz XOGVSFVHJBVLAH-OCCSQVGLSA-N 2 2 368.384 0.148 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000517759965 490920293 /nfs/dbraw/zinc/92/02/93/490920293.db2.gz XOGVSFVHJBVLAH-OCCSQVGLSA-N 2 2 368.384 0.148 20 0 FCADLP Cc1noc(CCCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000517911979 490924366 /nfs/dbraw/zinc/92/43/66/490924366.db2.gz JHFUBKNONGLXNX-UHFFFAOYSA-N 2 2 352.483 0.978 20 0 FCADLP Cc1noc(CCCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000517911979 490924367 /nfs/dbraw/zinc/92/43/67/490924367.db2.gz JHFUBKNONGLXNX-UHFFFAOYSA-N 2 2 352.483 0.978 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000517964577 490926624 /nfs/dbraw/zinc/92/66/24/490926624.db2.gz GRYPDSIRGIHIEF-ZIAGYGMSSA-N 2 2 374.445 0.002 20 0 FCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905605 490931168 /nfs/dbraw/zinc/93/11/68/490931168.db2.gz PGVKFODBFCAYLZ-HUUCEWRRSA-N 2 2 362.540 0.189 20 0 FCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905605 490931170 /nfs/dbraw/zinc/93/11/70/490931170.db2.gz PGVKFODBFCAYLZ-HUUCEWRRSA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905605 490931172 /nfs/dbraw/zinc/93/11/72/490931172.db2.gz PGVKFODBFCAYLZ-HUUCEWRRSA-N 2 2 362.540 0.189 20 0 FCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1C ZINC000530905605 490931175 /nfs/dbraw/zinc/93/11/75/490931175.db2.gz PGVKFODBFCAYLZ-HUUCEWRRSA-N 2 2 362.540 0.189 20 0 FCADLP O=c1ccc(Br)cn1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000518360173 490937816 /nfs/dbraw/zinc/93/78/16/490937816.db2.gz RBSIFJGYWAFPBM-HIFRSBDPSA-N 2 2 356.264 0.967 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543614862 490938648 /nfs/dbraw/zinc/93/86/48/490938648.db2.gz YZHYWTTYVOFXAC-AWEZNQCLSA-N 2 2 371.445 0.876 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000518380828 490938818 /nfs/dbraw/zinc/93/88/18/490938818.db2.gz AZHLSNQBMZMUOT-FQEVSTJZSA-N 3 2 371.529 0.310 20 0 FCADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000518380828 490938820 /nfs/dbraw/zinc/93/88/20/490938820.db2.gz AZHLSNQBMZMUOT-FQEVSTJZSA-N 3 2 371.529 0.310 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000531073581 490939381 /nfs/dbraw/zinc/93/93/81/490939381.db2.gz YYMPNNJLMOAHOJ-CYBMUJFWSA-N 2 2 358.402 0.372 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000518575262 490945959 /nfs/dbraw/zinc/94/59/59/490945959.db2.gz OOASCZBUXZELSL-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000518575262 490945960 /nfs/dbraw/zinc/94/59/60/490945960.db2.gz OOASCZBUXZELSL-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246095 490947809 /nfs/dbraw/zinc/94/78/09/490947809.db2.gz GGQRYDZDILSXSK-HOTGVXAUSA-N 2 2 365.522 0.711 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)C1 ZINC000531246095 490947811 /nfs/dbraw/zinc/94/78/11/490947811.db2.gz GGQRYDZDILSXSK-HOTGVXAUSA-N 2 2 365.522 0.711 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000518796804 490951718 /nfs/dbraw/zinc/95/17/18/490951718.db2.gz ALSFDKXOXGMFKT-DLBZAZTESA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000518796804 490951721 /nfs/dbraw/zinc/95/17/21/490951721.db2.gz ALSFDKXOXGMFKT-DLBZAZTESA-N 2 2 360.458 0.083 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000519175465 490964209 /nfs/dbraw/zinc/96/42/09/490964209.db2.gz BMWSCKYSOMXRRY-DYEKYZERSA-N 2 2 366.487 0.423 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000519175465 490964210 /nfs/dbraw/zinc/96/42/10/490964210.db2.gz BMWSCKYSOMXRRY-DYEKYZERSA-N 2 2 366.487 0.423 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H](C)C[NH2+]1 ZINC000519407318 490971326 /nfs/dbraw/zinc/97/13/26/490971326.db2.gz GHUXRXINHIXANN-IAGOWNOFSA-N 2 2 372.513 0.948 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544585135 490972986 /nfs/dbraw/zinc/97/29/86/490972986.db2.gz NNFHOZVJEQPPMD-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544585135 490972987 /nfs/dbraw/zinc/97/29/87/490972987.db2.gz NNFHOZVJEQPPMD-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519532714 490974182 /nfs/dbraw/zinc/97/41/82/490974182.db2.gz DZHRCYNZZRCCHF-OWCLPIDISA-N 2 2 357.458 0.235 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000565290435 491367835 /nfs/dbraw/zinc/36/78/35/491367835.db2.gz ULPQTCVFMQTNPP-MHORFTMASA-N 2 2 366.506 0.792 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000565290435 491367836 /nfs/dbraw/zinc/36/78/36/491367836.db2.gz ULPQTCVFMQTNPP-MHORFTMASA-N 2 2 366.506 0.792 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000519673800 490983458 /nfs/dbraw/zinc/98/34/58/490983458.db2.gz VJZNVOMMMFTAOH-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744591 490987901 /nfs/dbraw/zinc/98/79/01/490987901.db2.gz NCCWHHXDBUZRTI-LZLYRXPVSA-N 2 2 366.506 0.296 20 0 FCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C(C)C ZINC000519744591 490987903 /nfs/dbraw/zinc/98/79/03/490987903.db2.gz NCCWHHXDBUZRTI-LZLYRXPVSA-N 2 2 366.506 0.296 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1C ZINC000532171994 490989266 /nfs/dbraw/zinc/98/92/66/490989266.db2.gz YUDCGADPMHKJQR-CVEARBPZSA-N 2 2 364.494 0.929 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000532372761 490991884 /nfs/dbraw/zinc/99/18/84/490991884.db2.gz RGUJERMFZJHQBV-IKGGRYGDSA-N 2 2 354.495 0.458 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000532372761 490991885 /nfs/dbraw/zinc/99/18/85/490991885.db2.gz RGUJERMFZJHQBV-IKGGRYGDSA-N 2 2 354.495 0.458 20 0 FCADLP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000602003189 491957075 /nfs/dbraw/zinc/95/70/75/491957075.db2.gz FZIZIUFOEQXSNZ-UHFFFAOYSA-N 2 2 372.473 0.904 20 0 FCADLP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000565360431 491371669 /nfs/dbraw/zinc/37/16/69/491371669.db2.gz HNPJWYWXUKQTAN-QGZVFWFLSA-N 2 2 373.482 0.604 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000557452660 491375273 /nfs/dbraw/zinc/37/52/73/491375273.db2.gz UOTAHDLJSIJCIL-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000557452660 491375274 /nfs/dbraw/zinc/37/52/74/491375274.db2.gz UOTAHDLJSIJCIL-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000660279093 493338298 /nfs/dbraw/zinc/33/82/98/493338298.db2.gz ONJOPRRUNINGRX-TWMKSMIVSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000660279093 493338302 /nfs/dbraw/zinc/33/83/02/493338302.db2.gz ONJOPRRUNINGRX-TWMKSMIVSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000660279093 493338304 /nfs/dbraw/zinc/33/83/04/493338304.db2.gz ONJOPRRUNINGRX-TWMKSMIVSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000660279093 493338307 /nfs/dbraw/zinc/33/83/07/493338307.db2.gz ONJOPRRUNINGRX-TWMKSMIVSA-N 2 2 366.506 0.249 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592990 491387492 /nfs/dbraw/zinc/38/74/92/491387492.db2.gz BAWOIOUCRTZCKR-KGLIPLIRSA-N 2 2 368.432 0.937 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592990 491387494 /nfs/dbraw/zinc/38/74/94/491387494.db2.gz BAWOIOUCRTZCKR-KGLIPLIRSA-N 2 2 368.432 0.937 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000660281334 493339381 /nfs/dbraw/zinc/33/93/81/493339381.db2.gz VTUQDBYZOUMJBV-HOTGVXAUSA-N 2 2 361.490 0.703 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000660281334 493339384 /nfs/dbraw/zinc/33/93/84/493339384.db2.gz VTUQDBYZOUMJBV-HOTGVXAUSA-N 2 2 361.490 0.703 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000557665660 491390105 /nfs/dbraw/zinc/39/01/05/491390105.db2.gz UXAVICRQMSADAF-UHFFFAOYSA-N 2 2 351.495 0.467 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000557665660 491390107 /nfs/dbraw/zinc/39/01/07/491390107.db2.gz UXAVICRQMSADAF-UHFFFAOYSA-N 2 2 351.495 0.467 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000557665660 491390108 /nfs/dbraw/zinc/39/01/08/491390108.db2.gz UXAVICRQMSADAF-UHFFFAOYSA-N 2 2 351.495 0.467 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000557665660 491390110 /nfs/dbraw/zinc/39/01/10/491390110.db2.gz UXAVICRQMSADAF-UHFFFAOYSA-N 2 2 351.495 0.467 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000572738194 491390211 /nfs/dbraw/zinc/39/02/11/491390211.db2.gz ITHHKJULQMGNCE-INIZCTEOSA-N 2 2 370.457 0.688 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000557705698 491392165 /nfs/dbraw/zinc/39/21/65/491392165.db2.gz QVKWUONCIMULCF-JJXSEGSLSA-N 2 2 354.495 0.201 20 0 FCADLP CN1C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725561 491395649 /nfs/dbraw/zinc/39/56/49/491395649.db2.gz ZXKCTORUWLPRPD-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CN1C[C@H]([NH+](C)CC2(C[N@H+](C)[C@@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725561 491395651 /nfs/dbraw/zinc/39/56/51/491395651.db2.gz ZXKCTORUWLPRPD-HZPDHXFCSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000572956525 491403496 /nfs/dbraw/zinc/40/34/96/491403496.db2.gz NINGMYZSLCTZGO-KURKYZTESA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000572956525 491403500 /nfs/dbraw/zinc/40/35/00/491403500.db2.gz NINGMYZSLCTZGO-KURKYZTESA-N 2 2 368.522 0.774 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC000557900894 491404073 /nfs/dbraw/zinc/40/40/73/491404073.db2.gz VPSNXRYXIXLRFR-MRXNPFEDSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)C ZINC000557900894 491404075 /nfs/dbraw/zinc/40/40/75/491404075.db2.gz VPSNXRYXIXLRFR-MRXNPFEDSA-N 2 2 356.511 0.448 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000565963048 491409795 /nfs/dbraw/zinc/40/97/95/491409795.db2.gz ZWXYDZXUOPMFHM-OAHLLOKOSA-N 2 2 356.430 0.847 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000573082322 491411002 /nfs/dbraw/zinc/41/10/02/491411002.db2.gz NQRDXIMKYNILHF-HDICACEKSA-N 2 2 356.470 0.317 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@]12CCNC2=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573105568 491413144 /nfs/dbraw/zinc/41/31/44/491413144.db2.gz MDRBQGSQHWMZJZ-FQEVSTJZSA-N 2 2 372.469 0.812 20 0 FCADLP O=C(C[N@H+]1CCC[C@@]12CCNC2=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573105568 491413146 /nfs/dbraw/zinc/41/31/46/491413146.db2.gz MDRBQGSQHWMZJZ-FQEVSTJZSA-N 2 2 372.469 0.812 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000573157827 491416458 /nfs/dbraw/zinc/41/64/58/491416458.db2.gz APNRXPWUTJUCER-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000558199184 491418969 /nfs/dbraw/zinc/41/89/69/491418969.db2.gz ZSEWRVPPUGAJGP-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000558199184 491418971 /nfs/dbraw/zinc/41/89/71/491418971.db2.gz ZSEWRVPPUGAJGP-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000573345364 491427743 /nfs/dbraw/zinc/42/77/43/491427743.db2.gz NJTGIFACHMJIOB-HNNXBMFYSA-N 2 2 365.522 0.700 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1cc[nH+]c1 ZINC000558374459 491428259 /nfs/dbraw/zinc/42/82/59/491428259.db2.gz ZSTJNMRJENFACO-KFWWJZLASA-N 2 2 356.430 0.620 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000566497215 491449080 /nfs/dbraw/zinc/44/90/80/491449080.db2.gz YAKRVVNSPSQLFK-KKUMJFAQSA-N 2 2 373.457 0.584 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000566497215 491449082 /nfs/dbraw/zinc/44/90/82/491449082.db2.gz YAKRVVNSPSQLFK-KKUMJFAQSA-N 2 2 373.457 0.584 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000566559827 491453321 /nfs/dbraw/zinc/45/33/21/491453321.db2.gz ZFCOTPYTWQCNCA-IXDOHACOSA-N 2 2 366.506 0.286 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@H](O)C[N@H+](C)CC)CC2)c1N ZINC000566569100 491453931 /nfs/dbraw/zinc/45/39/31/491453931.db2.gz ICRRARDPGQHFJW-CQSZACIVSA-N 2 2 353.467 0.592 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC2)c1N ZINC000566569100 491453933 /nfs/dbraw/zinc/45/39/33/491453933.db2.gz ICRRARDPGQHFJW-CQSZACIVSA-N 2 2 353.467 0.592 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000566569515 491454120 /nfs/dbraw/zinc/45/41/20/491454120.db2.gz VPGJSUBKGSXIJM-OAQYLSRUSA-N 2 2 370.497 0.994 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000566569515 491454121 /nfs/dbraw/zinc/45/41/21/491454121.db2.gz VPGJSUBKGSXIJM-OAQYLSRUSA-N 2 2 370.497 0.994 20 0 FCADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000573803126 491456164 /nfs/dbraw/zinc/45/61/64/491456164.db2.gz MKBQNUFRECONCC-UHFFFAOYSA-N 2 2 353.488 0.457 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCc1cccc2cccnc21 ZINC000566620358 491456671 /nfs/dbraw/zinc/45/66/71/491456671.db2.gz AJUUAACUWDVDRO-IBGZPJMESA-N 2 2 367.497 0.873 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000573847483 491458694 /nfs/dbraw/zinc/45/86/94/491458694.db2.gz PUMRWYPGOIUVGW-AEFFLSMTSA-N 2 2 358.486 0.774 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000573867761 491459973 /nfs/dbraw/zinc/45/99/73/491459973.db2.gz SJVWEVDTEJGWEX-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CSc1cccc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2=O)c1 ZINC000573918353 491462472 /nfs/dbraw/zinc/46/24/72/491462472.db2.gz CCQVQYPMNSESLI-DZGCQCFKSA-N 2 2 362.499 0.863 20 0 FCADLP CSc1cccc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2=O)c1 ZINC000573918353 491462475 /nfs/dbraw/zinc/46/24/75/491462475.db2.gz CCQVQYPMNSESLI-DZGCQCFKSA-N 2 2 362.499 0.863 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000566728227 491462969 /nfs/dbraw/zinc/46/29/69/491462969.db2.gz QVNIRQMWOVMMEC-HZPDHXFCSA-N 2 2 351.495 0.594 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)[C@H](C[NH3+])C1 ZINC000566728227 491462971 /nfs/dbraw/zinc/46/29/71/491462971.db2.gz QVNIRQMWOVMMEC-HZPDHXFCSA-N 2 2 351.495 0.594 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000559360105 491467185 /nfs/dbraw/zinc/46/71/85/491467185.db2.gz XHEHKGMCKGTCCF-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000559376706 491468423 /nfs/dbraw/zinc/46/84/23/491468423.db2.gz OBWPJBUAXWLYLK-CALCHBBNSA-N 2 2 370.538 0.789 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000559376706 491468425 /nfs/dbraw/zinc/46/84/25/491468425.db2.gz OBWPJBUAXWLYLK-CALCHBBNSA-N 2 2 370.538 0.789 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000559385151 491469348 /nfs/dbraw/zinc/46/93/48/491469348.db2.gz BDPUNMLYBSYMRB-HNNXBMFYSA-N 2 2 373.457 0.806 20 0 FCADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000559389278 491469648 /nfs/dbraw/zinc/46/96/48/491469648.db2.gz TVIRLMIPPFUQAG-HUUCEWRRSA-N 2 2 371.441 0.860 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000559397877 491469908 /nfs/dbraw/zinc/46/99/08/491469908.db2.gz SJDQZZOJZSCIEZ-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000566874044 491472524 /nfs/dbraw/zinc/47/25/24/491472524.db2.gz XWZNJDSQEDVXBK-JYJNAYRXSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000566874044 491472526 /nfs/dbraw/zinc/47/25/26/491472526.db2.gz XWZNJDSQEDVXBK-JYJNAYRXSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000559439997 491473430 /nfs/dbraw/zinc/47/34/30/491473430.db2.gz DWXOIIHCWLEBED-DLBZAZTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000559439997 491473431 /nfs/dbraw/zinc/47/34/31/491473431.db2.gz DWXOIIHCWLEBED-DLBZAZTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000559439997 491473432 /nfs/dbraw/zinc/47/34/32/491473432.db2.gz DWXOIIHCWLEBED-DLBZAZTESA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000559439997 491473433 /nfs/dbraw/zinc/47/34/33/491473433.db2.gz DWXOIIHCWLEBED-DLBZAZTESA-N 2 2 368.522 0.258 20 0 FCADLP [NH3+]CC1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCC1 ZINC000566968447 491477838 /nfs/dbraw/zinc/47/78/38/491477838.db2.gz PZHXQQGNPHZEON-UHFFFAOYSA-N 2 2 374.489 0.481 20 0 FCADLP [NH3+]CC1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCC1 ZINC000566968447 491477841 /nfs/dbraw/zinc/47/78/41/491477841.db2.gz PZHXQQGNPHZEON-UHFFFAOYSA-N 2 2 374.489 0.481 20 0 FCADLP C[C@]1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCC[NH2+]C1 ZINC000574178931 491479023 /nfs/dbraw/zinc/47/90/23/491479023.db2.gz MTQVIYCWSJNRSH-IBGZPJMESA-N 2 2 365.522 0.620 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574286281 491486625 /nfs/dbraw/zinc/48/66/25/491486625.db2.gz FPGSXPAPLNJCSF-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574286281 491486629 /nfs/dbraw/zinc/48/66/29/491486629.db2.gz FPGSXPAPLNJCSF-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@@H]1C ZINC000574286281 491486630 /nfs/dbraw/zinc/48/66/30/491486630.db2.gz FPGSXPAPLNJCSF-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000574286281 491486633 /nfs/dbraw/zinc/48/66/33/491486633.db2.gz FPGSXPAPLNJCSF-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cn2cc[nH+]c12 ZINC000559627297 491487853 /nfs/dbraw/zinc/48/78/53/491487853.db2.gz FHXJQIQMOOWCKZ-UHFFFAOYSA-N 2 2 367.413 0.649 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000567163814 491489653 /nfs/dbraw/zinc/48/96/53/491489653.db2.gz CDMIMMCIMHJYEU-QAPCUYQASA-N 2 2 374.485 0.567 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000559756583 491495970 /nfs/dbraw/zinc/49/59/70/491495970.db2.gz WWXJFCKSEQWEDM-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000559756583 491495972 /nfs/dbraw/zinc/49/59/72/491495972.db2.gz WWXJFCKSEQWEDM-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463589 491498716 /nfs/dbraw/zinc/49/87/16/491498716.db2.gz ZHSXNNQNKDHFIF-IRXDYDNUSA-N 3 2 352.523 0.949 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463589 491498718 /nfs/dbraw/zinc/49/87/18/491498718.db2.gz ZHSXNNQNKDHFIF-IRXDYDNUSA-N 3 2 352.523 0.949 20 0 FCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000559780428 491498733 /nfs/dbraw/zinc/49/87/33/491498733.db2.gz JCHSRSQKBLCVQU-INIZCTEOSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000559780428 491498734 /nfs/dbraw/zinc/49/87/34/491498734.db2.gz JCHSRSQKBLCVQU-INIZCTEOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000567337090 491500404 /nfs/dbraw/zinc/50/04/04/491500404.db2.gz SUCNYYOXXHITDB-SYAUCNOPSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000567337090 491500407 /nfs/dbraw/zinc/50/04/07/491500407.db2.gz SUCNYYOXXHITDB-SYAUCNOPSA-N 2 2 352.458 0.630 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000559810072 491501435 /nfs/dbraw/zinc/50/14/35/491501435.db2.gz RYYWUGGCKHVFBA-QGZVFWFLSA-N 2 2 368.522 0.452 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000559810072 491501436 /nfs/dbraw/zinc/50/14/36/491501436.db2.gz RYYWUGGCKHVFBA-QGZVFWFLSA-N 2 2 368.522 0.452 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCO1 ZINC000559854288 491505260 /nfs/dbraw/zinc/50/52/60/491505260.db2.gz SPJZRLRLPGPBFB-HNNXBMFYSA-N 2 2 359.430 0.808 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCO1 ZINC000559854288 491505261 /nfs/dbraw/zinc/50/52/61/491505261.db2.gz SPJZRLRLPGPBFB-HNNXBMFYSA-N 2 2 359.430 0.808 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572267 491505898 /nfs/dbraw/zinc/50/58/98/491505898.db2.gz MBPIDYHOKSNZTD-HOTGVXAUSA-N 2 2 363.458 0.356 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000574572267 491505901 /nfs/dbraw/zinc/50/59/01/491505901.db2.gz MBPIDYHOKSNZTD-HOTGVXAUSA-N 2 2 363.458 0.356 20 0 FCADLP CC[NH+](CC)CCN(C(=O)c1coc(C[NH3+])c1)[C@H]1CCS(=O)(=O)C1 ZINC000567472576 491508190 /nfs/dbraw/zinc/50/81/90/491508190.db2.gz IIIKVOFHCOSRFI-AWEZNQCLSA-N 2 2 357.476 0.709 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559940066 491511626 /nfs/dbraw/zinc/51/16/26/491511626.db2.gz SLKSFHPWFZSTJW-UHFFFAOYSA-N 2 2 361.490 0.821 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)CCC2 ZINC000574699115 491514487 /nfs/dbraw/zinc/51/44/87/491514487.db2.gz PZHGIUGQLVYXRX-ZDUSSCGKSA-N 2 2 373.461 0.301 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560024393 491516149 /nfs/dbraw/zinc/51/61/49/491516149.db2.gz UCWVMPWSJDKODQ-CVEARBPZSA-N 2 2 359.474 0.921 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000560024393 491516152 /nfs/dbraw/zinc/51/61/52/491516152.db2.gz UCWVMPWSJDKODQ-CVEARBPZSA-N 2 2 359.474 0.921 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574875613 491525414 /nfs/dbraw/zinc/52/54/14/491525414.db2.gz WTXNREPJSSZZIX-HZPDHXFCSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574875613 491525415 /nfs/dbraw/zinc/52/54/15/491525415.db2.gz WTXNREPJSSZZIX-HZPDHXFCSA-N 2 2 354.495 0.188 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736093 491526359 /nfs/dbraw/zinc/52/63/59/491526359.db2.gz HHXGZXSFGHKSFV-QWHCGFSZSA-N 2 2 364.412 0.859 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736093 491526360 /nfs/dbraw/zinc/52/63/60/491526360.db2.gz HHXGZXSFGHKSFV-QWHCGFSZSA-N 2 2 364.412 0.859 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660404769 493348803 /nfs/dbraw/zinc/34/88/03/493348803.db2.gz OJZNHMATYQBXRZ-SFHVURJKSA-N 2 2 367.538 0.520 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567889259 491538539 /nfs/dbraw/zinc/53/85/39/491538539.db2.gz GENFPTIFRKKESR-UKRRQHHQSA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567889259 491538541 /nfs/dbraw/zinc/53/85/41/491538541.db2.gz GENFPTIFRKKESR-UKRRQHHQSA-N 2 2 363.458 0.870 20 0 FCADLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1C[NH+]1CCOCC1 ZINC000560506522 491543165 /nfs/dbraw/zinc/54/31/65/491543165.db2.gz FMDWZVSRRZLJRB-HXUWFJFHSA-N 2 2 359.470 0.705 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000575165037 491543414 /nfs/dbraw/zinc/54/34/14/491543414.db2.gz SVHDTCOAAYFGCD-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000575165037 491543416 /nfs/dbraw/zinc/54/34/16/491543416.db2.gz SVHDTCOAAYFGCD-OAHLLOKOSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000560509336 491543566 /nfs/dbraw/zinc/54/35/66/491543566.db2.gz CGDIWTXCQBJZAD-IIDMSEBBSA-N 2 2 370.515 0.791 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@]12CCNC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192600 491544419 /nfs/dbraw/zinc/54/44/19/491544419.db2.gz HOJCXWNRPWOLIG-IBGZPJMESA-N 2 2 357.458 0.475 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@]12CCNC2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000575192600 491544421 /nfs/dbraw/zinc/54/44/21/491544421.db2.gz HOJCXWNRPWOLIG-IBGZPJMESA-N 2 2 357.458 0.475 20 0 FCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000560546434 491544536 /nfs/dbraw/zinc/54/45/36/491544536.db2.gz ZIWAAEJIMNQWBW-UHFFFAOYSA-N 2 2 365.478 0.679 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575331077 491549288 /nfs/dbraw/zinc/54/92/88/491549288.db2.gz KHGQJKKTAHCVOK-NVXWUHKLSA-N 2 2 360.458 0.335 20 0 FCADLP CCCOc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000575331077 491549290 /nfs/dbraw/zinc/54/92/90/491549290.db2.gz KHGQJKKTAHCVOK-NVXWUHKLSA-N 2 2 360.458 0.335 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000568061274 491551295 /nfs/dbraw/zinc/55/12/95/491551295.db2.gz ZWPCOYRBRSVCEE-IRXDYDNUSA-N 2 2 373.501 0.121 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000575766297 491559576 /nfs/dbraw/zinc/55/95/76/491559576.db2.gz PXNLFIPLDIVVHK-YESZJQIVSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000560874022 491560996 /nfs/dbraw/zinc/56/09/96/491560996.db2.gz GJBQZYGOSPVOBT-QGZVFWFLSA-N 2 2 368.522 0.448 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000568249424 491562097 /nfs/dbraw/zinc/56/20/97/491562097.db2.gz QDEQYGOYJZOFPK-CVEARBPZSA-N 3 2 367.519 0.393 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000575811728 491562877 /nfs/dbraw/zinc/56/28/77/491562877.db2.gz AXFBIPMNQALZJC-CKEIUWERSA-N 2 2 360.462 0.620 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000560973401 491568091 /nfs/dbraw/zinc/56/80/91/491568091.db2.gz HMWBCRQXDNRWRI-IYBDPMFKSA-N 2 2 350.463 1.000 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000560973401 491568093 /nfs/dbraw/zinc/56/80/93/491568093.db2.gz HMWBCRQXDNRWRI-IYBDPMFKSA-N 2 2 350.463 1.000 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561010754 491569824 /nfs/dbraw/zinc/56/98/24/491569824.db2.gz JBMFDYLDZLUPEU-BBWFWOEESA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561010754 491569826 /nfs/dbraw/zinc/56/98/26/491569826.db2.gz JBMFDYLDZLUPEU-BBWFWOEESA-N 2 2 368.522 0.593 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2CCN(CC(F)(F)F)CC2)[C@@H](C[NH3+])C1 ZINC000568371754 491572391 /nfs/dbraw/zinc/57/23/91/491572391.db2.gz TTYVQZNVGWFPCJ-ZDUSSCGKSA-N 2 2 351.417 0.545 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2CCN(CC(F)(F)F)CC2)[C@@H](C[NH3+])C1 ZINC000568371754 491572393 /nfs/dbraw/zinc/57/23/93/491572393.db2.gz TTYVQZNVGWFPCJ-ZDUSSCGKSA-N 2 2 351.417 0.545 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)cn2)CC1 ZINC000561101857 491574591 /nfs/dbraw/zinc/57/45/91/491574591.db2.gz RETQXSIRKAWMBL-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000576029837 491577046 /nfs/dbraw/zinc/57/70/46/491577046.db2.gz COFUBRIMKOTSSI-RVKKMQEKSA-N 2 2 367.465 0.544 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)Cc2cccc(F)c2)C[C@H](C)O1 ZINC000576029837 491577047 /nfs/dbraw/zinc/57/70/47/491577047.db2.gz COFUBRIMKOTSSI-RVKKMQEKSA-N 2 2 367.465 0.544 20 0 FCADLP C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C[NH2+]1 ZINC000561151763 491579238 /nfs/dbraw/zinc/57/92/38/491579238.db2.gz TZFCHJLOEYBDFY-HZPDHXFCSA-N 2 2 374.489 0.512 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561151764 491579306 /nfs/dbraw/zinc/57/93/06/491579306.db2.gz TZFCHJLOEYBDFY-JKSUJKDBSA-N 2 2 374.489 0.512 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000561180716 491580744 /nfs/dbraw/zinc/58/07/44/491580744.db2.gz AXQQZWFQFZYFCD-RDJZCZTQSA-N 2 2 365.522 0.700 20 0 FCADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000576099302 491581186 /nfs/dbraw/zinc/58/11/86/491581186.db2.gz ADDMAXUXGHXXKP-WMLDXEAASA-N 2 2 353.488 0.938 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000576130808 491583970 /nfs/dbraw/zinc/58/39/70/491583970.db2.gz XHJYADKBLAOFGY-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000577062655 491585662 /nfs/dbraw/zinc/58/56/62/491585662.db2.gz VBPQHHDLNXJANL-AWEZNQCLSA-N 2 2 355.280 0.813 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000577062655 491585666 /nfs/dbraw/zinc/58/56/66/491585666.db2.gz VBPQHHDLNXJANL-AWEZNQCLSA-N 2 2 355.280 0.813 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577076747 491587000 /nfs/dbraw/zinc/58/70/00/491587000.db2.gz CWJQWUWATPGZTN-SFKVYAFYSA-N 2 2 360.502 0.704 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577076747 491587005 /nfs/dbraw/zinc/58/70/05/491587005.db2.gz CWJQWUWATPGZTN-SFKVYAFYSA-N 2 2 360.502 0.704 20 0 FCADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445788 491591694 /nfs/dbraw/zinc/59/16/94/491591694.db2.gz SPGPSNAMSNJRHO-JYJNAYRXSA-N 2 2 358.490 0.922 20 0 FCADLP C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445788 491591696 /nfs/dbraw/zinc/59/16/96/491591696.db2.gz SPGPSNAMSNJRHO-JYJNAYRXSA-N 2 2 358.490 0.922 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000576220077 491593699 /nfs/dbraw/zinc/59/36/99/491593699.db2.gz CBDXPOYSFUJJDX-HLLBOEOZSA-N 2 2 365.474 0.944 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000576220077 491593702 /nfs/dbraw/zinc/59/37/02/491593702.db2.gz CBDXPOYSFUJJDX-HLLBOEOZSA-N 2 2 365.474 0.944 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000584540783 491602005 /nfs/dbraw/zinc/60/20/05/491602005.db2.gz KSYHNEWOLNGPPY-ROUUACIJSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000584540783 491602007 /nfs/dbraw/zinc/60/20/07/491602007.db2.gz KSYHNEWOLNGPPY-ROUUACIJSA-N 2 2 374.485 0.472 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584540601 491602126 /nfs/dbraw/zinc/60/21/26/491602126.db2.gz FWEXOHQZSSNXAU-NFAWXSAZSA-N 2 2 353.426 0.806 20 0 FCADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584540601 491602130 /nfs/dbraw/zinc/60/21/30/491602130.db2.gz FWEXOHQZSSNXAU-NFAWXSAZSA-N 2 2 353.426 0.806 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000576331665 491605704 /nfs/dbraw/zinc/60/57/04/491605704.db2.gz YPYPVGOQOWKCJZ-YVSFHVDLSA-N 2 2 366.506 0.332 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000576402560 491611900 /nfs/dbraw/zinc/61/19/00/491611900.db2.gz IXGWCQBTNFPXKX-HNNXBMFYSA-N 2 2 357.414 0.769 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)cc[nH+]1 ZINC000576463642 491616760 /nfs/dbraw/zinc/61/67/60/491616760.db2.gz QSXVLYSRIXDVFP-AWEZNQCLSA-N 2 2 356.434 0.091 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1=O ZINC000568894109 491617977 /nfs/dbraw/zinc/61/79/77/491617977.db2.gz LOQMVMOFENIJDH-GJZGRUSLSA-N 2 2 351.451 0.130 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1=O ZINC000568894109 491617981 /nfs/dbraw/zinc/61/79/81/491617981.db2.gz LOQMVMOFENIJDH-GJZGRUSLSA-N 2 2 351.451 0.130 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000577413067 491620536 /nfs/dbraw/zinc/62/05/36/491620536.db2.gz WRLNWVXBEWVLES-ZMSDIMECSA-N 2 2 360.458 0.122 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000577413067 491620539 /nfs/dbraw/zinc/62/05/39/491620539.db2.gz WRLNWVXBEWVLES-ZMSDIMECSA-N 2 2 360.458 0.122 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000577499456 491627171 /nfs/dbraw/zinc/62/71/71/491627171.db2.gz LIKUCGXISDHLEK-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000577499456 491627173 /nfs/dbraw/zinc/62/71/73/491627173.db2.gz LIKUCGXISDHLEK-SJLPKXTDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000576626683 491631013 /nfs/dbraw/zinc/63/10/13/491631013.db2.gz FGIKPDHTQGDDGE-KBAYOESNSA-N 2 2 371.485 0.497 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000576686116 491635150 /nfs/dbraw/zinc/63/51/50/491635150.db2.gz ZJPAXIIUQKXSIT-CQSZACIVSA-N 2 2 356.434 0.893 20 0 FCADLP CCc1nncn1CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000576707167 491638145 /nfs/dbraw/zinc/63/81/45/491638145.db2.gz KYZKFPHFYHKBNB-KRWDZBQOSA-N 2 2 367.457 0.772 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)C[C@H](C)O1 ZINC000577742595 491647785 /nfs/dbraw/zinc/64/77/85/491647785.db2.gz ZSPZLLHPLCDHBF-ORDFZIBCSA-N 2 2 352.479 0.700 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)C[C@H](C)O1 ZINC000577742595 491647788 /nfs/dbraw/zinc/64/77/88/491647788.db2.gz ZSPZLLHPLCDHBF-ORDFZIBCSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000562029141 491648754 /nfs/dbraw/zinc/64/87/54/491648754.db2.gz BGOSNRLAIHQORV-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000562034084 491649355 /nfs/dbraw/zinc/64/93/55/491649355.db2.gz NZJKFQVXFYQEBG-QGZVFWFLSA-N 2 2 367.515 0.884 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC000562034084 491649359 /nfs/dbraw/zinc/64/93/59/491649359.db2.gz NZJKFQVXFYQEBG-QGZVFWFLSA-N 2 2 367.515 0.884 20 0 FCADLP CC1(CNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]CC1 ZINC000569441942 491661817 /nfs/dbraw/zinc/66/18/17/491661817.db2.gz AYBFYIMDBJYEBZ-UHFFFAOYSA-N 2 2 364.515 0.898 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577942102 491664276 /nfs/dbraw/zinc/66/42/76/491664276.db2.gz SPGDXDLAEMPJHM-HYVNUMGLSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577942102 491664278 /nfs/dbraw/zinc/66/42/78/491664278.db2.gz SPGDXDLAEMPJHM-HYVNUMGLSA-N 2 2 354.495 0.635 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000578067239 491669131 /nfs/dbraw/zinc/66/91/31/491669131.db2.gz BOVVGLIJSLQLGH-KRWDZBQOSA-N 2 2 372.473 0.739 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578227561 491672684 /nfs/dbraw/zinc/67/26/84/491672684.db2.gz SLZNAIAFLCIVFT-AWEZNQCLSA-N 2 2 359.474 0.479 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578227561 491672685 /nfs/dbraw/zinc/67/26/85/491672685.db2.gz SLZNAIAFLCIVFT-AWEZNQCLSA-N 2 2 359.474 0.479 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCSCC1 ZINC000578286928 491673975 /nfs/dbraw/zinc/67/39/75/491673975.db2.gz OUHPMIKQNIWFDZ-OAHLLOKOSA-N 2 2 367.519 0.648 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000578286928 491673976 /nfs/dbraw/zinc/67/39/76/491673976.db2.gz OUHPMIKQNIWFDZ-OAHLLOKOSA-N 2 2 367.519 0.648 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454057 491677571 /nfs/dbraw/zinc/67/75/71/491677571.db2.gz OKQJFUYADUWMJR-ZFWWWQNUSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454057 491677572 /nfs/dbraw/zinc/67/75/72/491677572.db2.gz OKQJFUYADUWMJR-ZFWWWQNUSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454055 491677626 /nfs/dbraw/zinc/67/76/26/491677626.db2.gz OKQJFUYADUWMJR-HIFRSBDPSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454055 491677627 /nfs/dbraw/zinc/67/76/27/491677627.db2.gz OKQJFUYADUWMJR-HIFRSBDPSA-N 2 2 366.849 0.079 20 0 FCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000578459809 491677738 /nfs/dbraw/zinc/67/77/38/491677738.db2.gz GEYCWXFSYPBSSX-HZPDHXFCSA-N 2 2 363.462 0.101 20 0 FCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000578459809 491677739 /nfs/dbraw/zinc/67/77/39/491677739.db2.gz GEYCWXFSYPBSSX-HZPDHXFCSA-N 2 2 363.462 0.101 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@H]1CCCn3cc[nH+]c31)CC[NH2+]CC2 ZINC000578498597 491678467 /nfs/dbraw/zinc/67/84/67/491678467.db2.gz AJPZEROBBGIHHQ-HUUCEWRRSA-N 2 2 359.474 0.867 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763316 491683846 /nfs/dbraw/zinc/68/38/46/491683846.db2.gz TWZGQTXFVIAVRS-ZWKOTPCHSA-N 2 2 361.486 0.911 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000578931288 491687232 /nfs/dbraw/zinc/68/72/32/491687232.db2.gz YRIWJXQHZNJVNI-HNNXBMFYSA-N 2 2 361.490 0.974 20 0 FCADLP [NH3+][C@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1cscn1 ZINC000579002463 491688816 /nfs/dbraw/zinc/68/88/16/491688816.db2.gz WDGYYILESAXFPS-AWEZNQCLSA-N 2 2 361.475 0.261 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000579110571 491691100 /nfs/dbraw/zinc/69/11/00/491691100.db2.gz BPRJSEWBTGDIRD-OCCSQVGLSA-N 2 2 367.471 0.685 20 0 FCADLP COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000579110571 491691101 /nfs/dbraw/zinc/69/11/01/491691101.db2.gz BPRJSEWBTGDIRD-OCCSQVGLSA-N 2 2 367.471 0.685 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000579349867 491696039 /nfs/dbraw/zinc/69/60/39/491696039.db2.gz YQHKRNWAVQJGDS-KRWDZBQOSA-N 2 2 373.461 0.589 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000579382811 491696932 /nfs/dbraw/zinc/69/69/32/491696932.db2.gz SRWBATXWDCBPBX-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000579382811 491696933 /nfs/dbraw/zinc/69/69/33/491696933.db2.gz SRWBATXWDCBPBX-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP COC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@@H](OC)C1 ZINC000579479802 491698718 /nfs/dbraw/zinc/69/87/18/491698718.db2.gz DHSLAJRHOUULDY-ZMSDIMECSA-N 2 2 355.479 0.487 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000579701756 491703301 /nfs/dbraw/zinc/70/33/01/491703301.db2.gz HQDZTUJCJKHOHY-KBAYOESNSA-N 2 2 371.485 0.355 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000579740226 491704601 /nfs/dbraw/zinc/70/46/01/491704601.db2.gz WKWZOTWFZKSGAY-CVEARBPZSA-N 2 2 356.511 0.447 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000579764857 491705034 /nfs/dbraw/zinc/70/50/34/491705034.db2.gz HYUUCMDGYGHOTR-OAHLLOKOSA-N 2 2 359.474 0.727 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000579868485 491707309 /nfs/dbraw/zinc/70/73/09/491707309.db2.gz RMZFLYWOIHGCFO-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP CN(C)c1ncn(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000584578520 491708136 /nfs/dbraw/zinc/70/81/36/491708136.db2.gz ICCVWJLGNXJNSJ-OAHLLOKOSA-N 2 2 358.450 0.440 20 0 FCADLP CN(C)c1ncn(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000584578520 491708139 /nfs/dbraw/zinc/70/81/39/491708139.db2.gz ICCVWJLGNXJNSJ-OAHLLOKOSA-N 2 2 358.450 0.440 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000580046200 491714632 /nfs/dbraw/zinc/71/46/32/491714632.db2.gz DQSNQKCDPKXRCI-DLBZAZTESA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000580046200 491714633 /nfs/dbraw/zinc/71/46/33/491714633.db2.gz DQSNQKCDPKXRCI-DLBZAZTESA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000580046200 491714634 /nfs/dbraw/zinc/71/46/34/491714634.db2.gz DQSNQKCDPKXRCI-DLBZAZTESA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nn1 ZINC000580046200 491714635 /nfs/dbraw/zinc/71/46/35/491714635.db2.gz DQSNQKCDPKXRCI-DLBZAZTESA-N 2 2 354.458 0.717 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000580062321 491715342 /nfs/dbraw/zinc/71/53/42/491715342.db2.gz GESCNXNJDFJYAU-HIFRSBDPSA-N 2 2 350.488 0.588 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H]1Cc1ccccc1 ZINC000580062647 491715717 /nfs/dbraw/zinc/71/57/17/491715717.db2.gz NTZGWHFLCRELBE-OTWHNJEPSA-N 2 2 370.497 0.725 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H]1Cc1ccccc1 ZINC000580062647 491715718 /nfs/dbraw/zinc/71/57/18/491715718.db2.gz NTZGWHFLCRELBE-OTWHNJEPSA-N 2 2 370.497 0.725 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000580088317 491717127 /nfs/dbraw/zinc/71/71/27/491717127.db2.gz QAOMZQRESKXUIL-GUYCJALGSA-N 2 2 365.503 0.290 20 0 FCADLP O=C(CN1CCn2c[nH+]cc2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000660573420 493362134 /nfs/dbraw/zinc/36/21/34/493362134.db2.gz DIJGQPLLVWSUPD-UHFFFAOYSA-N 2 2 361.490 0.850 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cc[nH+]c(N(C)C)n3)CC1)C2 ZINC000580263421 491723612 /nfs/dbraw/zinc/72/36/12/491723612.db2.gz NFWHKJDEFBFWCE-OAHLLOKOSA-N 2 2 369.473 0.959 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000580414352 491730071 /nfs/dbraw/zinc/73/00/71/491730071.db2.gz PGHGZLVFOJRKDG-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000580414352 491730073 /nfs/dbraw/zinc/73/00/73/491730073.db2.gz PGHGZLVFOJRKDG-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000580431068 491731230 /nfs/dbraw/zinc/73/12/30/491731230.db2.gz BWCYNLHAVZDBIE-HUUCEWRRSA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000580431068 491731231 /nfs/dbraw/zinc/73/12/31/491731231.db2.gz BWCYNLHAVZDBIE-HUUCEWRRSA-N 2 2 361.442 0.080 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000580532830 491734691 /nfs/dbraw/zinc/73/46/91/491734691.db2.gz IUNXSILVXGYVJQ-QZTJIDSGSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000580532830 491734693 /nfs/dbraw/zinc/73/46/93/491734693.db2.gz IUNXSILVXGYVJQ-QZTJIDSGSA-N 2 2 373.501 0.504 20 0 FCADLP CO[C@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000580565146 491736509 /nfs/dbraw/zinc/73/65/09/491736509.db2.gz WLQRZZOHDJKLGP-HOCLYGCPSA-N 2 2 371.503 0.754 20 0 FCADLP CO[C@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000580565146 491736510 /nfs/dbraw/zinc/73/65/10/491736510.db2.gz WLQRZZOHDJKLGP-HOCLYGCPSA-N 2 2 371.503 0.754 20 0 FCADLP CSC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236439 491742777 /nfs/dbraw/zinc/74/27/77/491742777.db2.gz TYOBMFYWIOYNCH-ZBFHGGJFSA-N 2 2 368.547 0.625 20 0 FCADLP CSC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236439 491742778 /nfs/dbraw/zinc/74/27/78/491742778.db2.gz TYOBMFYWIOYNCH-ZBFHGGJFSA-N 2 2 368.547 0.625 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000668469525 493360118 /nfs/dbraw/zinc/36/01/18/493360118.db2.gz IRKFCHWTLJIYAI-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000668469525 493360119 /nfs/dbraw/zinc/36/01/19/493360119.db2.gz IRKFCHWTLJIYAI-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000580970308 491754092 /nfs/dbraw/zinc/75/40/92/491754092.db2.gz YEYPQINLIQNJJY-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000580970308 491754093 /nfs/dbraw/zinc/75/40/93/491754093.db2.gz YEYPQINLIQNJJY-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000580970308 491754095 /nfs/dbraw/zinc/75/40/95/491754095.db2.gz YEYPQINLIQNJJY-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000580970308 491754097 /nfs/dbraw/zinc/75/40/97/491754097.db2.gz YEYPQINLIQNJJY-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)CC1 ZINC000580989061 491754609 /nfs/dbraw/zinc/75/46/09/491754609.db2.gz UIDZANIYXDCYSM-SJORKVTESA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000581010323 491755154 /nfs/dbraw/zinc/75/51/54/491755154.db2.gz JDCUYAYPTVPEFX-ZDUSSCGKSA-N 2 2 355.446 0.600 20 0 FCADLP C[C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000581010323 491755156 /nfs/dbraw/zinc/75/51/56/491755156.db2.gz JDCUYAYPTVPEFX-ZDUSSCGKSA-N 2 2 355.446 0.600 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000581016771 491755785 /nfs/dbraw/zinc/75/57/85/491755785.db2.gz DYXHYBNJVWQXKI-GFCCVEGCSA-N 2 2 361.430 0.245 20 0 FCADLP COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000581130542 491760594 /nfs/dbraw/zinc/76/05/94/491760594.db2.gz QIPJVZYJLFVRMS-HUUCEWRRSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccc(C)cc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000581130542 491760596 /nfs/dbraw/zinc/76/05/96/491760596.db2.gz QIPJVZYJLFVRMS-HUUCEWRRSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000581130545 491760699 /nfs/dbraw/zinc/76/06/99/491760699.db2.gz QIPJVZYJLFVRMS-LSDHHAIUSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000581130545 491760700 /nfs/dbraw/zinc/76/07/00/491760700.db2.gz QIPJVZYJLFVRMS-LSDHHAIUSA-N 2 2 360.458 0.458 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000581240989 491765381 /nfs/dbraw/zinc/76/53/81/491765381.db2.gz NVQVXSGIICGFON-DLBZAZTESA-N 2 2 364.490 0.172 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000581248789 491765714 /nfs/dbraw/zinc/76/57/14/491765714.db2.gz ONZOJDQOKXDZFF-KRWDZBQOSA-N 2 2 362.474 0.331 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2C1 ZINC000673782361 493361111 /nfs/dbraw/zinc/36/11/11/493361111.db2.gz BPKZDIFHJIAJDA-SFHVURJKSA-N 2 2 372.469 0.894 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2C1 ZINC000673782361 493361113 /nfs/dbraw/zinc/36/11/13/493361113.db2.gz BPKZDIFHJIAJDA-SFHVURJKSA-N 2 2 372.469 0.894 20 0 FCADLP O=C(C[N@@H+]1CCC[C@]12CCNC2=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000581437204 491772963 /nfs/dbraw/zinc/77/29/63/491772963.db2.gz DVQOLISEWOOYTF-GOSISDBHSA-N 2 2 362.499 0.747 20 0 FCADLP O=C(C[N@H+]1CCC[C@]12CCNC2=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000581437204 491772965 /nfs/dbraw/zinc/77/29/65/491772965.db2.gz DVQOLISEWOOYTF-GOSISDBHSA-N 2 2 362.499 0.747 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581479322 491774539 /nfs/dbraw/zinc/77/45/39/491774539.db2.gz RLLOHAPPCQLAPD-OAHLLOKOSA-N 2 2 357.458 0.651 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000581479322 491774541 /nfs/dbraw/zinc/77/45/41/491774541.db2.gz RLLOHAPPCQLAPD-OAHLLOKOSA-N 2 2 357.458 0.651 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cn2c1 ZINC000581582044 491778800 /nfs/dbraw/zinc/77/88/00/491778800.db2.gz RCQWKOCANCYCIC-SFHVURJKSA-N 2 2 361.446 0.525 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000581635595 491780928 /nfs/dbraw/zinc/78/09/28/491780928.db2.gz MIJMIOFPJNDUPS-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000581635595 491780929 /nfs/dbraw/zinc/78/09/29/491780929.db2.gz MIJMIOFPJNDUPS-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000581635595 491780930 /nfs/dbraw/zinc/78/09/30/491780930.db2.gz MIJMIOFPJNDUPS-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000581635595 491780931 /nfs/dbraw/zinc/78/09/31/491780931.db2.gz MIJMIOFPJNDUPS-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000581723538 491784105 /nfs/dbraw/zinc/78/41/05/491784105.db2.gz HRGPZOASDSEDOQ-SFHVURJKSA-N 2 2 366.469 0.602 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000581874605 491788171 /nfs/dbraw/zinc/78/81/71/491788171.db2.gz WKZVWVDBNDBZAZ-HZMVEIRTSA-N 2 2 366.506 0.250 20 0 FCADLP CNC(=O)C(C)(C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000581887546 491789202 /nfs/dbraw/zinc/78/92/02/491789202.db2.gz UYXCXFWZFOWQGX-INIZCTEOSA-N 2 2 357.458 0.690 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000581992182 491793272 /nfs/dbraw/zinc/79/32/72/491793272.db2.gz FPXREOOKSXWWCD-INIZCTEOSA-N 2 2 359.478 0.135 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)[C@@H](C)C1 ZINC000591285733 491800952 /nfs/dbraw/zinc/80/09/52/491800952.db2.gz DDDANDZCFFVQNJ-ZDUSSCGKSA-N 2 2 362.430 0.180 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)[C@@H](C)C1 ZINC000591285733 491800953 /nfs/dbraw/zinc/80/09/53/491800953.db2.gz DDDANDZCFFVQNJ-ZDUSSCGKSA-N 2 2 362.430 0.180 20 0 FCADLP Cn1c2ncn(CC[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291789 491805949 /nfs/dbraw/zinc/80/59/49/491805949.db2.gz VMRYVWYORHWMCH-KGLIPLIRSA-N 2 2 360.462 0.040 20 0 FCADLP Cn1c2ncn(CC[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2c(=O)n(C)c1=O ZINC000582291789 491805951 /nfs/dbraw/zinc/80/59/51/491805951.db2.gz VMRYVWYORHWMCH-KGLIPLIRSA-N 2 2 360.462 0.040 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000582298758 491806369 /nfs/dbraw/zinc/80/63/69/491806369.db2.gz BSHUAVDHBXBPCH-HOCLYGCPSA-N 2 2 359.405 0.633 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)CCC2 ZINC000582383257 491810147 /nfs/dbraw/zinc/81/01/47/491810147.db2.gz SSVVLVTUFUGWAF-JKSUJKDBSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)CCC2 ZINC000582383257 491810149 /nfs/dbraw/zinc/81/01/49/491810149.db2.gz SSVVLVTUFUGWAF-JKSUJKDBSA-N 2 2 361.490 0.984 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1C[NH3+] ZINC000582779456 491826316 /nfs/dbraw/zinc/82/63/16/491826316.db2.gz CKGDWWUWMLSIME-ZBFHGGJFSA-N 2 2 364.515 0.836 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000583013944 491836086 /nfs/dbraw/zinc/83/60/86/491836086.db2.gz ABIOWAARGJLGMU-CVEARBPZSA-N 2 2 360.462 0.577 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000583013944 491836087 /nfs/dbraw/zinc/83/60/87/491836087.db2.gz ABIOWAARGJLGMU-CVEARBPZSA-N 2 2 360.462 0.577 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000583154514 491839108 /nfs/dbraw/zinc/83/91/08/491839108.db2.gz DAAPZBFRDFOVRF-GJZGRUSLSA-N 2 2 358.446 0.004 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCOc2cccc(C(F)(F)F)n2)[C@@H](C[NH3+])C1 ZINC000583252326 491840913 /nfs/dbraw/zinc/84/09/13/491840913.db2.gz BPCRDOSBCMOIOC-NSHDSACASA-N 2 2 361.368 0.764 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCOc2cccc(C(F)(F)F)n2)[C@@H](C[NH3+])C1 ZINC000583252326 491840914 /nfs/dbraw/zinc/84/09/14/491840914.db2.gz BPCRDOSBCMOIOC-NSHDSACASA-N 2 2 361.368 0.764 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000583392538 491844167 /nfs/dbraw/zinc/84/41/67/491844167.db2.gz JHCHPZZSGOFWPF-HRCADAONSA-N 2 2 368.441 0.463 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839248 493366397 /nfs/dbraw/zinc/36/63/97/493366397.db2.gz WXEWVFKXEOJMHA-WBVHZDCISA-N 2 2 358.490 0.730 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3c3ncccn3)C2)CC1 ZINC000673839248 493366398 /nfs/dbraw/zinc/36/63/98/493366398.db2.gz WXEWVFKXEOJMHA-WBVHZDCISA-N 2 2 358.490 0.730 20 0 FCADLP CC[NH+]1CCC(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000583543868 491847124 /nfs/dbraw/zinc/84/71/24/491847124.db2.gz WJYHJAGTNJDREK-UHFFFAOYSA-N 2 2 364.494 1.069 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CCC2 ZINC000583587589 491848130 /nfs/dbraw/zinc/84/81/30/491848130.db2.gz SWKKPWITNJGABU-CVEARBPZSA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C)CCC2 ZINC000583587589 491848131 /nfs/dbraw/zinc/84/81/31/491848131.db2.gz SWKKPWITNJGABU-CVEARBPZSA-N 2 2 361.490 0.984 20 0 FCADLP C[C@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583628942 491848855 /nfs/dbraw/zinc/84/88/55/491848855.db2.gz FOXMWKBYWNUCAA-MAUKXSAKSA-N 2 2 372.473 0.646 20 0 FCADLP C[C@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583628942 491848856 /nfs/dbraw/zinc/84/88/56/491848856.db2.gz FOXMWKBYWNUCAA-MAUKXSAKSA-N 2 2 372.473 0.646 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H](C)[NH2+]1 ZINC000583742859 491851038 /nfs/dbraw/zinc/85/10/38/491851038.db2.gz MJCZVJDXHVLRBW-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP Cc1[nH+]cc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1C ZINC000583764263 491851640 /nfs/dbraw/zinc/85/16/40/491851640.db2.gz CTNNFYGOZQGPEA-UHFFFAOYSA-N 2 2 352.464 0.405 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000583992164 491856092 /nfs/dbraw/zinc/85/60/92/491856092.db2.gz UIAOHMLTYSVDBG-CVEARBPZSA-N 2 2 364.494 0.679 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584107417 491858705 /nfs/dbraw/zinc/85/87/05/491858705.db2.gz YGCYKLLPEOHYQW-ZBFHGGJFSA-N 2 2 369.487 0.347 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC000584126512 491859113 /nfs/dbraw/zinc/85/91/13/491859113.db2.gz KJUMHAGGGADVCE-ILXRZTDVSA-N 2 2 350.463 0.940 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC000584126512 491859114 /nfs/dbraw/zinc/85/91/14/491859114.db2.gz KJUMHAGGGADVCE-ILXRZTDVSA-N 2 2 350.463 0.940 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611692743 491868876 /nfs/dbraw/zinc/86/88/76/491868876.db2.gz WVLRAWBGOAFUDZ-CABCVRRESA-N 2 2 359.474 0.837 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611692743 491868878 /nfs/dbraw/zinc/86/88/78/491868878.db2.gz WVLRAWBGOAFUDZ-CABCVRRESA-N 2 2 359.474 0.837 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875484 491869430 /nfs/dbraw/zinc/86/94/30/491869430.db2.gz ILQYKASCHNKQGE-RCCFBDPRSA-N 2 2 356.470 0.984 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CCN2C1=O ZINC000594875484 491869432 /nfs/dbraw/zinc/86/94/32/491869432.db2.gz ILQYKASCHNKQGE-RCCFBDPRSA-N 2 2 356.470 0.984 20 0 FCADLP COC(=O)[C@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886072 491888092 /nfs/dbraw/zinc/88/80/92/491888092.db2.gz KRGGLWODZHAFCQ-IRXDYDNUSA-N 2 2 373.453 0.838 20 0 FCADLP COC(=O)[C@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)Cc2ccccc21 ZINC000600886072 491888095 /nfs/dbraw/zinc/88/80/95/491888095.db2.gz KRGGLWODZHAFCQ-IRXDYDNUSA-N 2 2 373.453 0.838 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)CCN2C1=O ZINC000600947395 491889624 /nfs/dbraw/zinc/88/96/24/491889624.db2.gz LLSVDQWSRJHKMR-CVEARBPZSA-N 2 2 350.426 0.745 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c[nH+]1 ZINC000595266475 491909141 /nfs/dbraw/zinc/90/91/41/491909141.db2.gz WHLFJPLPJQNMCX-GJZGRUSLSA-N 2 2 360.462 0.381 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC000612324958 491909949 /nfs/dbraw/zinc/90/99/49/491909949.db2.gz LNRMEYXBCHPOAQ-MSOLQXFVSA-N 2 2 368.522 0.849 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000612413094 491915428 /nfs/dbraw/zinc/91/54/28/491915428.db2.gz QLMBJIBBDQORKS-PKOBYXMFSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000612413094 491915429 /nfs/dbraw/zinc/91/54/29/491915429.db2.gz QLMBJIBBDQORKS-PKOBYXMFSA-N 2 2 354.454 0.981 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472935 491924980 /nfs/dbraw/zinc/92/49/80/491924980.db2.gz AJSULZAVEYCUBU-ZFWWWQNUSA-N 2 2 350.463 0.151 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1C(=O)CCC1=O ZINC000601472935 491924982 /nfs/dbraw/zinc/92/49/82/491924982.db2.gz AJSULZAVEYCUBU-ZFWWWQNUSA-N 2 2 350.463 0.151 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000612489693 491925557 /nfs/dbraw/zinc/92/55/57/491925557.db2.gz YCTISLNGVHUCCX-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478102 491935411 /nfs/dbraw/zinc/93/54/11/491935411.db2.gz ZJORPIOLTFRYOW-CVEARBPZSA-N 2 2 353.463 0.195 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000595478102 491935412 /nfs/dbraw/zinc/93/54/12/491935412.db2.gz ZJORPIOLTFRYOW-CVEARBPZSA-N 2 2 353.463 0.195 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612962945 491959892 /nfs/dbraw/zinc/95/98/92/491959892.db2.gz KKMFIBWYQUMDPN-CQSZACIVSA-N 2 2 370.461 0.337 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)([NH+]2CCOCC2)C1 ZINC000612987946 491961264 /nfs/dbraw/zinc/96/12/64/491961264.db2.gz ZTXLXXNWNNAKPR-KOHRHEQBSA-N 2 2 366.506 0.698 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203557 491967907 /nfs/dbraw/zinc/96/79/07/491967907.db2.gz XPVOZHLIGWBZQR-GDBMZVCRSA-N 2 2 372.535 0.085 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000602203557 491967908 /nfs/dbraw/zinc/96/79/08/491967908.db2.gz XPVOZHLIGWBZQR-GDBMZVCRSA-N 2 2 372.535 0.085 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000602400884 491984889 /nfs/dbraw/zinc/98/48/89/491984889.db2.gz WEGFOUKHYCGKTB-UHFFFAOYSA-N 2 2 365.503 0.766 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000602514680 491990922 /nfs/dbraw/zinc/99/09/22/491990922.db2.gz UMKKHOFEBYAJIR-WMLDXEAASA-N 2 2 363.458 0.661 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000602514680 491990924 /nfs/dbraw/zinc/99/09/24/491990924.db2.gz UMKKHOFEBYAJIR-WMLDXEAASA-N 2 2 363.458 0.661 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)on1 ZINC000602531202 491992313 /nfs/dbraw/zinc/99/23/13/491992313.db2.gz ZUUPQXGHANPBTH-OAHLLOKOSA-N 2 2 352.435 0.884 20 0 FCADLP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)on1 ZINC000602531202 491992314 /nfs/dbraw/zinc/99/23/14/491992314.db2.gz ZUUPQXGHANPBTH-OAHLLOKOSA-N 2 2 352.435 0.884 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613996226 492008985 /nfs/dbraw/zinc/00/89/85/492008985.db2.gz QVOKREQCPGBXNF-MGPQQGTHSA-N 2 2 366.487 0.415 20 0 FCADLP O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000613996168 492009020 /nfs/dbraw/zinc/00/90/20/492009020.db2.gz QJWNSJIAKXOYFY-RTBURBONSA-N 2 2 370.497 0.417 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000613996759 492009043 /nfs/dbraw/zinc/00/90/43/492009043.db2.gz SRDVFGGBTAKFDY-JURCDPSOSA-N 2 2 366.487 0.051 20 0 FCADLP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664841 492046880 /nfs/dbraw/zinc/04/68/80/492046880.db2.gz ZBTMQLDLSLRXRD-KGLIPLIRSA-N 2 2 353.492 0.835 20 0 FCADLP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664841 492046882 /nfs/dbraw/zinc/04/68/82/492046882.db2.gz ZBTMQLDLSLRXRD-KGLIPLIRSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664841 492046884 /nfs/dbraw/zinc/04/68/84/492046884.db2.gz ZBTMQLDLSLRXRD-KGLIPLIRSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[C@H]1CCSC1 ZINC000614664841 492046885 /nfs/dbraw/zinc/04/68/85/492046885.db2.gz ZBTMQLDLSLRXRD-KGLIPLIRSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCN3CCCCC3=O)C2)CC1 ZINC000604194303 492053449 /nfs/dbraw/zinc/05/34/49/492053449.db2.gz HPPUGAUERKEFAI-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCN3CCCCC3=O)C2)CC1 ZINC000604194303 492053450 /nfs/dbraw/zinc/05/34/50/492053450.db2.gz HPPUGAUERKEFAI-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP COCCOCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604190058 492053813 /nfs/dbraw/zinc/05/38/13/492053813.db2.gz RPZHWTHLDJPZKJ-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP COCCOCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604190058 492053814 /nfs/dbraw/zinc/05/38/14/492053814.db2.gz RPZHWTHLDJPZKJ-INIZCTEOSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604194187 492053914 /nfs/dbraw/zinc/05/39/14/492053914.db2.gz FSOYBPMISDDBDC-IAGOWNOFSA-N 3 2 366.554 0.090 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604194187 492053915 /nfs/dbraw/zinc/05/39/15/492053915.db2.gz FSOYBPMISDDBDC-IAGOWNOFSA-N 3 2 366.554 0.090 20 0 FCADLP CN(CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000604196899 492054252 /nfs/dbraw/zinc/05/42/52/492054252.db2.gz KPYYCQPCKKUXPM-ZDUSSCGKSA-N 2 2 365.444 0.948 20 0 FCADLP CN(CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000604196899 492054253 /nfs/dbraw/zinc/05/42/53/492054253.db2.gz KPYYCQPCKKUXPM-ZDUSSCGKSA-N 2 2 365.444 0.948 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604633731 492065210 /nfs/dbraw/zinc/06/52/10/492065210.db2.gz CQZRDXIEILBVCS-MRXNPFEDSA-N 2 2 362.478 0.199 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604633731 492065211 /nfs/dbraw/zinc/06/52/11/492065211.db2.gz CQZRDXIEILBVCS-MRXNPFEDSA-N 2 2 362.478 0.199 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000607154185 492139591 /nfs/dbraw/zinc/13/95/91/492139591.db2.gz CKKCUHPKHRSEIS-ZIAGYGMSSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000607154185 492139593 /nfs/dbraw/zinc/13/95/93/492139593.db2.gz CKKCUHPKHRSEIS-ZIAGYGMSSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CN1CC[NH+](C)CC1 ZINC000608387687 492175001 /nfs/dbraw/zinc/17/50/01/492175001.db2.gz XCOANXVXTFSGJC-GOSISDBHSA-N 2 2 359.518 0.561 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@@H+]1C ZINC000608649452 492183634 /nfs/dbraw/zinc/18/36/34/492183634.db2.gz BJCHTNOPAMSAGL-HLLBOEOZSA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@H+]1C ZINC000608649452 492183635 /nfs/dbraw/zinc/18/36/35/492183635.db2.gz BJCHTNOPAMSAGL-HLLBOEOZSA-N 2 2 356.536 0.976 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000608691711 492187589 /nfs/dbraw/zinc/18/75/89/492187589.db2.gz AXGYUBMVZGKGBW-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000608691711 492187590 /nfs/dbraw/zinc/18/75/90/492187590.db2.gz AXGYUBMVZGKGBW-QGZVFWFLSA-N 2 2 365.522 0.666 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000618401251 492227974 /nfs/dbraw/zinc/22/79/74/492227974.db2.gz PDFHLFQUHCUGFM-INIZCTEOSA-N 2 2 374.551 0.285 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000618401251 492227976 /nfs/dbraw/zinc/22/79/76/492227976.db2.gz PDFHLFQUHCUGFM-INIZCTEOSA-N 2 2 374.551 0.285 20 0 FCADLP COCCn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1=O ZINC000618401807 492228077 /nfs/dbraw/zinc/22/80/77/492228077.db2.gz WXLHGDHWEHMFPO-UHFFFAOYSA-N 2 2 364.490 0.593 20 0 FCADLP COCCn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1=O ZINC000618401807 492228079 /nfs/dbraw/zinc/22/80/79/492228079.db2.gz WXLHGDHWEHMFPO-UHFFFAOYSA-N 2 2 364.490 0.593 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600013982 492230105 /nfs/dbraw/zinc/23/01/05/492230105.db2.gz CRYUJOMWAGTRIK-HZPDHXFCSA-N 2 2 363.462 0.101 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250182 492239193 /nfs/dbraw/zinc/23/91/93/492239193.db2.gz DBOVBXCLIYFZFT-INIZCTEOSA-N 2 2 353.511 0.713 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250182 492239196 /nfs/dbraw/zinc/23/91/96/492239196.db2.gz DBOVBXCLIYFZFT-INIZCTEOSA-N 2 2 353.511 0.713 20 0 FCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000618903279 492242733 /nfs/dbraw/zinc/24/27/33/492242733.db2.gz QRWRYQNFBJYUFO-UHFFFAOYSA-N 2 2 372.385 0.609 20 0 FCADLP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000647510235 492301257 /nfs/dbraw/zinc/30/12/57/492301257.db2.gz AXGJLEIYEYUMQZ-QZTJIDSGSA-N 2 2 356.470 0.541 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000647510246 492301633 /nfs/dbraw/zinc/30/16/33/492301633.db2.gz HRRRWASHVQCWHA-INIZCTEOSA-N 2 2 358.486 0.917 20 0 FCADLP CN(C)C(=O)N1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641786134 492305678 /nfs/dbraw/zinc/30/56/78/492305678.db2.gz OKOVGTLPDIYDIM-SFHVURJKSA-N 2 2 367.538 0.519 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547606 492319305 /nfs/dbraw/zinc/31/93/05/492319305.db2.gz HMJGTWPIMWLZNS-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547606 492319310 /nfs/dbraw/zinc/31/93/10/492319310.db2.gz HMJGTWPIMWLZNS-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486216 492319565 /nfs/dbraw/zinc/31/95/65/492319565.db2.gz UZKSSALRUXTVNW-MRXNPFEDSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486216 492319570 /nfs/dbraw/zinc/31/95/70/492319570.db2.gz UZKSSALRUXTVNW-MRXNPFEDSA-N 2 2 362.474 0.201 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3COCCN3CC(F)F)c2)CC1 ZINC000634194764 492325044 /nfs/dbraw/zinc/32/50/44/492325044.db2.gz YRFHITGRIFPNMC-AWEZNQCLSA-N 2 2 369.416 0.738 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3nc4ncccn4n3)c2)CC1 ZINC000634193863 492325317 /nfs/dbraw/zinc/32/53/17/492325317.db2.gz FBELLHFESUKDJJ-UHFFFAOYSA-N 2 2 352.402 0.452 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000642015646 492327982 /nfs/dbraw/zinc/32/79/82/492327982.db2.gz DLYKNSOMMGAJQH-KRWDZBQOSA-N 2 2 362.474 0.819 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642079097 492332215 /nfs/dbraw/zinc/33/22/15/492332215.db2.gz LSVAYBQGAGRJQZ-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642079097 492332219 /nfs/dbraw/zinc/33/22/19/492332219.db2.gz LSVAYBQGAGRJQZ-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000642079115 492332386 /nfs/dbraw/zinc/33/23/86/492332386.db2.gz UYXYWAFFAVNALS-QGZVFWFLSA-N 2 2 374.485 0.343 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000642079115 492332389 /nfs/dbraw/zinc/33/23/89/492332389.db2.gz UYXYWAFFAVNALS-QGZVFWFLSA-N 2 2 374.485 0.343 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655072 492333571 /nfs/dbraw/zinc/33/35/71/492333571.db2.gz CKGJTCFIUJXCFE-ZOFXXKQRSA-N 2 2 354.495 0.647 20 0 FCADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655072 492333573 /nfs/dbraw/zinc/33/35/73/492333573.db2.gz CKGJTCFIUJXCFE-ZOFXXKQRSA-N 2 2 354.495 0.647 20 0 FCADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655072 492333575 /nfs/dbraw/zinc/33/35/75/492333575.db2.gz CKGJTCFIUJXCFE-ZOFXXKQRSA-N 2 2 354.495 0.647 20 0 FCADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655072 492333577 /nfs/dbraw/zinc/33/35/77/492333577.db2.gz CKGJTCFIUJXCFE-ZOFXXKQRSA-N 2 2 354.495 0.647 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000642257068 492346532 /nfs/dbraw/zinc/34/65/32/492346532.db2.gz OMIUEZPFWGFYSZ-ZFWWWQNUSA-N 2 2 364.515 0.808 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000642257068 492346534 /nfs/dbraw/zinc/34/65/34/492346534.db2.gz OMIUEZPFWGFYSZ-ZFWWWQNUSA-N 2 2 364.515 0.808 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000642257131 492346951 /nfs/dbraw/zinc/34/69/51/492346951.db2.gz WVCDGIAVKSEJBU-OAHLLOKOSA-N 2 2 364.515 0.679 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000642257131 492346954 /nfs/dbraw/zinc/34/69/54/492346954.db2.gz WVCDGIAVKSEJBU-OAHLLOKOSA-N 2 2 364.515 0.679 20 0 FCADLP CN(C(=O)Cn1nnc2c1CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773888 492349698 /nfs/dbraw/zinc/34/96/98/492349698.db2.gz LQTYHPRPRUMKBD-MRXNPFEDSA-N 2 2 360.506 0.784 20 0 FCADLP CN(C(=O)Cn1nnc2c1CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773888 492349701 /nfs/dbraw/zinc/34/97/01/492349701.db2.gz LQTYHPRPRUMKBD-MRXNPFEDSA-N 2 2 360.506 0.784 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642329996 492351351 /nfs/dbraw/zinc/35/13/51/492351351.db2.gz CVTLXGVWKDYWNM-HOCLYGCPSA-N 2 2 371.416 0.838 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327573 492351442 /nfs/dbraw/zinc/35/14/42/492351442.db2.gz NBOZGZCXCBCCML-CJNGLKHVSA-N 2 2 360.458 0.348 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC[NH2+]1 ZINC000642337439 492352229 /nfs/dbraw/zinc/35/22/29/492352229.db2.gz CKYACYWLVDMOMJ-BRWVUGGUSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000642337454 492353057 /nfs/dbraw/zinc/35/30/57/492353057.db2.gz JFYHVMMOOZXICS-NCOADZHNSA-N 2 2 366.506 0.332 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000642337512 492353098 /nfs/dbraw/zinc/35/30/98/492353098.db2.gz VSUOMYKVRLPHOV-IXDOHACOSA-N 2 2 366.506 0.380 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642519159 492360928 /nfs/dbraw/zinc/36/09/28/492360928.db2.gz SXFWVBMYRWAMQA-JKSUJKDBSA-N 2 2 357.458 0.508 20 0 FCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715549 492363055 /nfs/dbraw/zinc/36/30/55/492363055.db2.gz FSZUNRWYBMAAQK-DLBZAZTESA-N 2 2 355.504 0.541 20 0 FCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715549 492363057 /nfs/dbraw/zinc/36/30/57/492363057.db2.gz FSZUNRWYBMAAQK-DLBZAZTESA-N 2 2 355.504 0.541 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH+](C)CC1 ZINC000621252809 492365531 /nfs/dbraw/zinc/36/55/31/492365531.db2.gz DRVYGSTYLAPYBA-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)[nH+]c12 ZINC000642638802 492367951 /nfs/dbraw/zinc/36/79/51/492367951.db2.gz DTTFKBULEORUFV-INIZCTEOSA-N 2 2 357.458 0.935 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000642638974 492368192 /nfs/dbraw/zinc/36/81/92/492368192.db2.gz ZYZQZLDQSLTLGU-INIZCTEOSA-N 2 2 357.458 0.902 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000647835036 492368395 /nfs/dbraw/zinc/36/83/95/492368395.db2.gz KBHDESBQYBUGKS-UHFFFAOYSA-N 2 2 359.474 0.354 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000647835036 492368399 /nfs/dbraw/zinc/36/83/99/492368399.db2.gz KBHDESBQYBUGKS-UHFFFAOYSA-N 2 2 359.474 0.354 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000647850174 492371345 /nfs/dbraw/zinc/37/13/45/492371345.db2.gz VYDVGFWITPDRQO-UHFFFAOYSA-N 2 2 356.492 0.936 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000647850174 492371347 /nfs/dbraw/zinc/37/13/47/492371347.db2.gz VYDVGFWITPDRQO-UHFFFAOYSA-N 2 2 356.492 0.936 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642705176 492375353 /nfs/dbraw/zinc/37/53/53/492375353.db2.gz COFPSOBPIOSFMT-IAGOWNOFSA-N 2 2 371.485 0.899 20 0 FCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000647926870 492383837 /nfs/dbraw/zinc/38/38/37/492383837.db2.gz POQJJEFHADCEIS-UHFFFAOYSA-N 2 2 352.460 0.036 20 0 FCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925756 492383857 /nfs/dbraw/zinc/38/38/57/492383857.db2.gz WEOZAIRMGWEQTC-QWHCGFSZSA-N 2 2 368.503 0.713 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000647960163 492388091 /nfs/dbraw/zinc/38/80/91/492388091.db2.gz JKHCBBYOWLJNPZ-IBGZPJMESA-N 2 2 374.529 0.894 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000647960163 492388094 /nfs/dbraw/zinc/38/80/94/492388094.db2.gz JKHCBBYOWLJNPZ-IBGZPJMESA-N 2 2 374.529 0.894 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000647994446 492392509 /nfs/dbraw/zinc/39/25/09/492392509.db2.gz HIDJEWSRMZLRQW-ROUUACIJSA-N 2 2 362.474 0.335 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000621580652 492393993 /nfs/dbraw/zinc/39/39/93/492393993.db2.gz PIZLRBMMPHNQTN-WBVHZDCISA-N 2 2 351.495 0.417 20 0 FCADLP CC(=O)N1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000621580652 492393995 /nfs/dbraw/zinc/39/39/95/492393995.db2.gz PIZLRBMMPHNQTN-WBVHZDCISA-N 2 2 351.495 0.417 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000642910248 492402116 /nfs/dbraw/zinc/40/21/16/492402116.db2.gz BROIFVOSVZIQMQ-USXIJHARSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000642910248 492402120 /nfs/dbraw/zinc/40/21/20/492402120.db2.gz BROIFVOSVZIQMQ-USXIJHARSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621651853 492402212 /nfs/dbraw/zinc/40/22/12/492402212.db2.gz RJVQQHXGCADNPR-DLBZAZTESA-N 2 2 350.507 0.921 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000642910424 492402372 /nfs/dbraw/zinc/40/23/72/492402372.db2.gz FZKHIGGWJUFGFL-GFCCVEGCSA-N 2 2 372.391 0.813 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000648123775 492402725 /nfs/dbraw/zinc/40/27/25/492402725.db2.gz IFIBSAKXGOVOBN-ZBFHGGJFSA-N 2 2 365.499 0.846 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648120264 492402964 /nfs/dbraw/zinc/40/29/64/492402964.db2.gz VPOFZPDBBXGOPB-AWEZNQCLSA-N 2 2 353.488 0.894 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000642939806 492405906 /nfs/dbraw/zinc/40/59/06/492405906.db2.gz ABYZOVAKDHBIOH-OAHLLOKOSA-N 2 2 362.474 0.359 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)O1 ZINC000621720930 492406746 /nfs/dbraw/zinc/40/67/46/492406746.db2.gz VZPNHKKDOYHQEB-ZIAGYGMSSA-N 2 2 367.412 0.819 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)O1 ZINC000621720930 492406750 /nfs/dbraw/zinc/40/67/50/492406750.db2.gz VZPNHKKDOYHQEB-ZIAGYGMSSA-N 2 2 367.412 0.819 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000648149153 492408497 /nfs/dbraw/zinc/40/84/97/492408497.db2.gz QMRJJTRYRGFTTD-GOSISDBHSA-N 2 2 362.474 0.511 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648153558 492409845 /nfs/dbraw/zinc/40/98/45/492409845.db2.gz CMXMWAQOVACETB-FPCVCCKLSA-N 2 2 372.473 0.149 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648153558 492409848 /nfs/dbraw/zinc/40/98/48/492409848.db2.gz CMXMWAQOVACETB-FPCVCCKLSA-N 2 2 372.473 0.149 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)cn21 ZINC000648211741 492414530 /nfs/dbraw/zinc/41/45/30/492414530.db2.gz ZDNHTRMTVPTBNP-UHFFFAOYSA-N 2 2 364.471 0.468 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)NC3CC([NH+]4CCOCC4)C3)ccn2)CC1 ZINC000627931537 492423085 /nfs/dbraw/zinc/42/30/85/492423085.db2.gz RQERQGZNCPQDGG-UHFFFAOYSA-N 2 2 359.474 0.426 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c[nH+]1 ZINC000621841584 492423971 /nfs/dbraw/zinc/42/39/71/492423971.db2.gz XBVSOQPNOPEQPG-HNAYVOBHSA-N 2 2 359.474 0.884 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635262759 492424836 /nfs/dbraw/zinc/42/48/36/492424836.db2.gz BBMMDICLXGRMHZ-UHFFFAOYSA-N 2 2 357.414 0.424 20 0 FCADLP CN(C)C(=O)CN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643249574 492434590 /nfs/dbraw/zinc/43/45/90/492434590.db2.gz HSBUGXWSGYWXGH-UHFFFAOYSA-N 2 2 360.502 0.725 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655444512 492442922 /nfs/dbraw/zinc/44/29/22/492442922.db2.gz GBNADTXUDAYNGM-UWVAXJGDSA-N 2 2 362.518 0.921 20 0 FCADLP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000655447712 492443882 /nfs/dbraw/zinc/44/38/82/492443882.db2.gz CZYXTMJILMJMPF-LMNJBCLMSA-N 2 2 373.497 0.960 20 0 FCADLP CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643397557 492448537 /nfs/dbraw/zinc/44/85/37/492448537.db2.gz ASKXEPICTKKQNB-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643397557 492448539 /nfs/dbraw/zinc/44/85/39/492448539.db2.gz ASKXEPICTKKQNB-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000643416844 492453506 /nfs/dbraw/zinc/45/35/06/492453506.db2.gz JTPUWGJKURZFER-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000643416844 492453509 /nfs/dbraw/zinc/45/35/09/492453509.db2.gz JTPUWGJKURZFER-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC[N@@H+]1C ZINC000648787917 492457634 /nfs/dbraw/zinc/45/76/34/492457634.db2.gz KQVDEQSVUBGHRK-ZIFCJYIRSA-N 2 2 361.486 0.911 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CC[N@H+]1C ZINC000648787917 492457637 /nfs/dbraw/zinc/45/76/37/492457637.db2.gz KQVDEQSVUBGHRK-ZIFCJYIRSA-N 2 2 361.486 0.911 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[NH+](C)C ZINC000635497693 492459389 /nfs/dbraw/zinc/45/93/89/492459389.db2.gz SKZAFNNVGGZPMI-CQSZACIVSA-N 2 2 368.503 0.901 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[NH+](C)C ZINC000635497693 492459391 /nfs/dbraw/zinc/45/93/91/492459391.db2.gz SKZAFNNVGGZPMI-CQSZACIVSA-N 2 2 368.503 0.901 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000643440559 492462571 /nfs/dbraw/zinc/46/25/71/492462571.db2.gz ITRUIRDBVNKXSJ-JCYILVPMSA-N 2 2 366.506 0.299 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512574 492462862 /nfs/dbraw/zinc/46/28/62/492462862.db2.gz OAHIQUKEALONEW-ZWKOTPCHSA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512574 492462863 /nfs/dbraw/zinc/46/28/63/492462863.db2.gz OAHIQUKEALONEW-ZWKOTPCHSA-N 2 2 350.507 0.478 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000643477001 492474374 /nfs/dbraw/zinc/47/43/74/492474374.db2.gz MTMFBWCQMCWCTQ-GOSISDBHSA-N 2 2 358.486 0.837 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000643478923 492474992 /nfs/dbraw/zinc/47/49/92/492474992.db2.gz QHPUSAUOIQUQDF-KRWDZBQOSA-N 2 2 374.485 0.598 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000635576686 492476435 /nfs/dbraw/zinc/47/64/35/492476435.db2.gz LNLAPLBGJSVPTM-HNNXBMFYSA-N 2 2 363.462 0.056 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655704622 492477282 /nfs/dbraw/zinc/47/72/82/492477282.db2.gz GYLBODCFOYJOBR-QZTJIDSGSA-N 3 2 352.523 0.772 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655704622 492477284 /nfs/dbraw/zinc/47/72/84/492477284.db2.gz GYLBODCFOYJOBR-QZTJIDSGSA-N 3 2 352.523 0.772 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655716251 492478177 /nfs/dbraw/zinc/47/81/77/492478177.db2.gz RHVJONGFBUOOFC-VQTJNVASSA-N 3 2 366.550 0.626 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655716253 492478642 /nfs/dbraw/zinc/47/86/42/492478642.db2.gz RHVJONGFBUOOFC-WOJBJXKFSA-N 3 2 366.550 0.626 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000643503195 492483662 /nfs/dbraw/zinc/48/36/62/492483662.db2.gz VJQQRGYAPYJNSI-UKRRQHHQSA-N 2 2 364.446 0.240 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643514486 492487448 /nfs/dbraw/zinc/48/74/48/492487448.db2.gz FVVHAPQOFSMVEM-LAUBAEHRSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643514486 492487451 /nfs/dbraw/zinc/48/74/51/492487451.db2.gz FVVHAPQOFSMVEM-LAUBAEHRSA-N 2 2 370.497 0.931 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC[C@@H]1[NH3+] ZINC000643532353 492491811 /nfs/dbraw/zinc/49/18/11/492491811.db2.gz IBGMJFWEZTYTCA-GJZGRUSLSA-N 2 2 360.462 0.019 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000643576764 492499796 /nfs/dbraw/zinc/49/97/96/492499796.db2.gz PDQJDCBRAGADJJ-MRXNPFEDSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H](C)C[NH2+]1 ZINC000643581077 492499993 /nfs/dbraw/zinc/49/99/93/492499993.db2.gz IORIRDBHAOIKLH-ZIAGYGMSSA-N 2 2 350.488 0.601 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000655968818 492500159 /nfs/dbraw/zinc/50/01/59/492500159.db2.gz GZXSBYPWUPKSTC-RHSMWYFYSA-N 2 2 374.420 0.837 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cn21 ZINC000649207198 492511105 /nfs/dbraw/zinc/51/11/05/492511105.db2.gz VUXQGONQKYYLRA-HNNXBMFYSA-N 2 2 357.458 0.712 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000649275136 492517434 /nfs/dbraw/zinc/51/74/34/492517434.db2.gz GUZFSRKOASZISN-MJGOQNOKSA-N 2 2 372.469 0.971 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656059795 492524893 /nfs/dbraw/zinc/52/48/93/492524893.db2.gz FZBGWZLLKWHXOF-ZACQAIPSSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656059795 492524898 /nfs/dbraw/zinc/52/48/98/492524898.db2.gz FZBGWZLLKWHXOF-ZACQAIPSSA-N 2 2 368.522 0.401 20 0 FCADLP Nc1ncc2c(n1)C[NH+](C/C=C/C[N@H+]1CCc3cnc(N)nc3C1)CC2 ZINC000623291790 492538848 /nfs/dbraw/zinc/53/88/48/492538848.db2.gz SQZVBBQIGPUJJR-OWOJBTEDSA-N 2 2 352.446 0.064 20 0 FCADLP Nc1ncc2c(n1)C[NH+](C/C=C/C[N@@H+]1CCc3cnc(N)nc3C1)CC2 ZINC000623291790 492538855 /nfs/dbraw/zinc/53/88/55/492538855.db2.gz SQZVBBQIGPUJJR-OWOJBTEDSA-N 2 2 352.446 0.064 20 0 FCADLP C[C@@H](CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000623414720 492552167 /nfs/dbraw/zinc/55/21/67/492552167.db2.gz NQBQDPFIXMSNKU-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000649419533 492553637 /nfs/dbraw/zinc/55/36/37/492553637.db2.gz UKDJKBMDGBKGEW-YLJYHZDGSA-N 2 2 372.513 0.819 20 0 FCADLP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000643780306 492555428 /nfs/dbraw/zinc/55/54/28/492555428.db2.gz CIEKWHPRZFORKE-SFHVURJKSA-N 2 2 369.469 0.753 20 0 FCADLP Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[NH+]2CCOCC2)s1 ZINC000643778069 492555750 /nfs/dbraw/zinc/55/57/50/492555750.db2.gz DQJIXBXPZOVLNY-GJZGRUSLSA-N 2 2 353.488 0.782 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643797111 492562799 /nfs/dbraw/zinc/56/27/99/492562799.db2.gz KGNDRLSDFPNJFZ-JYJNAYRXSA-N 2 2 353.442 0.027 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643797111 492562801 /nfs/dbraw/zinc/56/28/01/492562801.db2.gz KGNDRLSDFPNJFZ-JYJNAYRXSA-N 2 2 353.442 0.027 20 0 FCADLP CC[N@@H+]1CCO[C@H](CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000623636601 492577361 /nfs/dbraw/zinc/57/73/61/492577361.db2.gz WFWZQUCLMFKBJT-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC[N@H+]1CCO[C@H](CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000623636601 492577365 /nfs/dbraw/zinc/57/73/65/492577365.db2.gz WFWZQUCLMFKBJT-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656310948 492584358 /nfs/dbraw/zinc/58/43/58/492584358.db2.gz GZQMVPCFURZJFV-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000656310948 492584360 /nfs/dbraw/zinc/58/43/60/492584360.db2.gz GZQMVPCFURZJFV-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636469062 492594909 /nfs/dbraw/zinc/59/49/09/492594909.db2.gz ZUUUIULRLMNAJJ-LJQANCHMSA-N 2 2 368.522 0.774 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636469062 492594914 /nfs/dbraw/zinc/59/49/14/492594914.db2.gz ZUUUIULRLMNAJJ-LJQANCHMSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000623782790 492595207 /nfs/dbraw/zinc/59/52/07/492595207.db2.gz AQLNIZHAVBHSDT-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000623782790 492595210 /nfs/dbraw/zinc/59/52/10/492595210.db2.gz AQLNIZHAVBHSDT-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000643884424 492599947 /nfs/dbraw/zinc/59/99/47/492599947.db2.gz WZZAQJZHJKWJBS-IGCXYCKISA-N 2 2 353.488 0.682 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000650045755 492608264 /nfs/dbraw/zinc/60/82/64/492608264.db2.gz NGGVRGKVSFPDTQ-UHFFFAOYSA-N 2 2 364.494 1.165 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656358933 492613367 /nfs/dbraw/zinc/61/33/67/492613367.db2.gz NIDVXMPDRFWLHY-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656358933 492613372 /nfs/dbraw/zinc/61/33/72/492613372.db2.gz NIDVXMPDRFWLHY-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656358933 492613374 /nfs/dbraw/zinc/61/33/74/492613374.db2.gz NIDVXMPDRFWLHY-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656358933 492613379 /nfs/dbraw/zinc/61/33/79/492613379.db2.gz NIDVXMPDRFWLHY-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CCO1 ZINC000656359874 492613552 /nfs/dbraw/zinc/61/35/52/492613552.db2.gz QUWKWSLZEQTBOQ-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CCO1 ZINC000656359874 492613554 /nfs/dbraw/zinc/61/35/54/492613554.db2.gz QUWKWSLZEQTBOQ-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000656359874 492613557 /nfs/dbraw/zinc/61/35/57/492613557.db2.gz QUWKWSLZEQTBOQ-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000656359874 492613558 /nfs/dbraw/zinc/61/35/58/492613558.db2.gz QUWKWSLZEQTBOQ-HOTGVXAUSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000656694739 492642208 /nfs/dbraw/zinc/64/22/08/492642208.db2.gz QUKGJFCDVFZNFM-ROUUACIJSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000656694739 492642214 /nfs/dbraw/zinc/64/22/14/492642214.db2.gz QUKGJFCDVFZNFM-ROUUACIJSA-N 2 2 354.539 0.706 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563471 492645457 /nfs/dbraw/zinc/64/54/57/492645457.db2.gz QOVDIWJUFKEXGB-VOAKCMCISA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563471 492645460 /nfs/dbraw/zinc/64/54/60/492645460.db2.gz QOVDIWJUFKEXGB-VOAKCMCISA-N 2 2 364.412 0.558 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000629607448 492658607 /nfs/dbraw/zinc/65/86/07/492658607.db2.gz UJOPEGDXOKSEPJ-INIZCTEOSA-N 2 2 350.463 0.178 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(F)(F)F ZINC000636792595 492694638 /nfs/dbraw/zinc/69/46/38/492694638.db2.gz XUWTWLBVXRRFAO-GMXVVIOVSA-N 2 2 352.401 0.766 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(F)(F)F ZINC000636792595 492694641 /nfs/dbraw/zinc/69/46/41/492694641.db2.gz XUWTWLBVXRRFAO-GMXVVIOVSA-N 2 2 352.401 0.766 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000651087906 492705630 /nfs/dbraw/zinc/70/56/30/492705630.db2.gz NCIFOJKJGPGITP-UHFFFAOYSA-N 2 2 365.478 0.710 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000651116457 492710868 /nfs/dbraw/zinc/71/08/68/492710868.db2.gz XRMSWUXTCXCOMI-UHFFFAOYSA-N 2 2 352.435 0.580 20 0 FCADLP CNC(=O)c1ccc(CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657092245 492715202 /nfs/dbraw/zinc/71/52/02/492715202.db2.gz RYCKKDOCZJSNFR-UHFFFAOYSA-N 2 2 370.519 0.349 20 0 FCADLP CNC(=O)c1ccc(CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657092245 492715204 /nfs/dbraw/zinc/71/52/04/492715204.db2.gz RYCKKDOCZJSNFR-UHFFFAOYSA-N 2 2 370.519 0.349 20 0 FCADLP COc1ccc(OC)c(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657093243 492716172 /nfs/dbraw/zinc/71/61/72/492716172.db2.gz SOTNUEFYNAGKII-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP COc1ccc(OC)c(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657093243 492716175 /nfs/dbraw/zinc/71/61/75/492716175.db2.gz SOTNUEFYNAGKII-UHFFFAOYSA-N 2 2 359.492 0.866 20 0 FCADLP CC[N@H+]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](C)C1 ZINC000636911740 492727099 /nfs/dbraw/zinc/72/70/99/492727099.db2.gz BUTDXYBPEBPYCH-RLFYNMQTSA-N 2 2 354.495 0.242 20 0 FCADLP CC[N@@H+]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)[C@@H](C)C1 ZINC000636911740 492727101 /nfs/dbraw/zinc/72/71/01/492727101.db2.gz BUTDXYBPEBPYCH-RLFYNMQTSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@@H](C)C1 ZINC000636911740 492727103 /nfs/dbraw/zinc/72/71/03/492727103.db2.gz BUTDXYBPEBPYCH-RLFYNMQTSA-N 2 2 354.495 0.242 20 0 FCADLP CC[NH+]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)[C@@H](C)C1 ZINC000636911740 492727106 /nfs/dbraw/zinc/72/71/06/492727106.db2.gz BUTDXYBPEBPYCH-RLFYNMQTSA-N 2 2 354.495 0.242 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000644371411 492727406 /nfs/dbraw/zinc/72/74/06/492727406.db2.gz ZXPDGMBTOXSRBG-NNXHMXCWSA-N 2 2 354.495 0.383 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000644371411 492727408 /nfs/dbraw/zinc/72/74/08/492727408.db2.gz ZXPDGMBTOXSRBG-NNXHMXCWSA-N 2 2 354.495 0.383 20 0 FCADLP COCc1csc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000657368430 492749413 /nfs/dbraw/zinc/74/94/13/492749413.db2.gz WOHVWBARHYOAGZ-HNNXBMFYSA-N 2 2 353.488 0.917 20 0 FCADLP O=C(CC[NH2+]Cc1c[nH+]c2n1CCC2)N1CCN(c2ncccn2)CC1 ZINC000657342271 492750268 /nfs/dbraw/zinc/75/02/68/492750268.db2.gz IWZPLRDVBVWVQM-UHFFFAOYSA-N 2 2 355.446 0.448 20 0 FCADLP CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657521045 492756165 /nfs/dbraw/zinc/75/61/65/492756165.db2.gz AXAIVDGEVMYJBK-OAHLLOKOSA-N 2 2 372.473 0.723 20 0 FCADLP [NH3+]C1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCCCC1 ZINC000637138124 492779927 /nfs/dbraw/zinc/77/99/27/492779927.db2.gz UCBCQESJFCXDPT-UHFFFAOYSA-N 2 2 351.495 0.598 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H](C)O1 ZINC000644515745 492780322 /nfs/dbraw/zinc/78/03/22/492780322.db2.gz YSYIVBWBESWCEL-RVKKMQEKSA-N 2 2 365.474 0.944 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H](C)O1 ZINC000644515745 492780325 /nfs/dbraw/zinc/78/03/25/492780325.db2.gz YSYIVBWBESWCEL-RVKKMQEKSA-N 2 2 365.474 0.944 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccccc2)C1 ZINC000644539417 492783750 /nfs/dbraw/zinc/78/37/50/492783750.db2.gz IQYLUERTQZJXNF-OAHLLOKOSA-N 2 2 353.488 0.637 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000644558372 492784883 /nfs/dbraw/zinc/78/48/83/492784883.db2.gz FCPMHEMSHCIZDX-OAHLLOKOSA-N 2 2 353.438 0.708 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657743470 492787274 /nfs/dbraw/zinc/78/72/74/492787274.db2.gz BWNRTTAENSUVML-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657743470 492787275 /nfs/dbraw/zinc/78/72/75/492787275.db2.gz BWNRTTAENSUVML-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579336 492787470 /nfs/dbraw/zinc/78/74/70/492787470.db2.gz XBIUZQXWVWIISH-MSOLQXFVSA-N 2 2 371.485 0.916 20 0 FCADLP Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n(C)n1 ZINC000644579336 492787473 /nfs/dbraw/zinc/78/74/73/492787473.db2.gz XBIUZQXWVWIISH-MSOLQXFVSA-N 2 2 371.485 0.916 20 0 FCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000657745439 492788746 /nfs/dbraw/zinc/78/87/46/492788746.db2.gz QPEKUQWNNOZPKW-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000644610930 492790908 /nfs/dbraw/zinc/79/09/08/492790908.db2.gz AEFGFURJCAYXJY-JFIYKMOQSA-N 3 2 366.506 0.582 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)C1CC1 ZINC000644622469 492792331 /nfs/dbraw/zinc/79/23/31/492792331.db2.gz FATXAIMMGZIMFZ-QGZVFWFLSA-N 2 2 353.488 0.771 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)C1CC1 ZINC000644622469 492792334 /nfs/dbraw/zinc/79/23/34/492792334.db2.gz FATXAIMMGZIMFZ-QGZVFWFLSA-N 2 2 353.488 0.771 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccccc1S(N)(=O)=O ZINC000644647475 492796474 /nfs/dbraw/zinc/79/64/74/492796474.db2.gz ONHWXWSOLAINPG-QGZVFWFLSA-N 2 2 363.483 0.917 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccccc1S(N)(=O)=O ZINC000644647475 492796476 /nfs/dbraw/zinc/79/64/76/492796476.db2.gz ONHWXWSOLAINPG-QGZVFWFLSA-N 2 2 363.483 0.917 20 0 FCADLP O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000644715216 492801095 /nfs/dbraw/zinc/80/10/95/492801095.db2.gz YDLNBOANIBHPHC-BWTSREIZSA-N 2 2 371.481 0.436 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000644715216 492801097 /nfs/dbraw/zinc/80/10/97/492801097.db2.gz YDLNBOANIBHPHC-BWTSREIZSA-N 2 2 371.481 0.436 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715337 492801188 /nfs/dbraw/zinc/80/11/88/492801188.db2.gz PSQROTSWKVZBFR-KCUHQSDYSA-N 2 2 373.497 0.694 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715337 492801192 /nfs/dbraw/zinc/80/11/92/492801192.db2.gz PSQROTSWKVZBFR-KCUHQSDYSA-N 2 2 373.497 0.694 20 0 FCADLP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247577 492806349 /nfs/dbraw/zinc/80/63/49/492806349.db2.gz YYFDOCHKBQEDHN-SFHVURJKSA-N 3 2 362.522 0.685 20 0 FCADLP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247577 492806353 /nfs/dbraw/zinc/80/63/53/492806353.db2.gz YYFDOCHKBQEDHN-SFHVURJKSA-N 3 2 362.522 0.685 20 0 FCADLP CCn1nncc1CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000637297029 492807308 /nfs/dbraw/zinc/80/73/08/492807308.db2.gz WCHJEEYAWMHIJW-UHFFFAOYSA-N 2 2 363.510 1.000 20 0 FCADLP CCn1nncc1CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000637297029 492807311 /nfs/dbraw/zinc/80/73/11/492807311.db2.gz WCHJEEYAWMHIJW-UHFFFAOYSA-N 2 2 363.510 1.000 20 0 FCADLP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000637375540 492814791 /nfs/dbraw/zinc/81/47/91/492814791.db2.gz MKYBBDHOPAAGGA-PMPSAXMXSA-N 2 2 362.478 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000637375540 492814794 /nfs/dbraw/zinc/81/47/94/492814794.db2.gz MKYBBDHOPAAGGA-PMPSAXMXSA-N 2 2 362.478 0.815 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625551545 492818831 /nfs/dbraw/zinc/81/88/31/492818831.db2.gz HZLBVKQQEZYPNB-MRXNPFEDSA-N 2 2 373.453 0.440 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000631646015 492829178 /nfs/dbraw/zinc/82/91/78/492829178.db2.gz ISEXEWDZAVDXKG-GOSISDBHSA-N 2 2 368.547 0.846 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658089759 492836175 /nfs/dbraw/zinc/83/61/75/492836175.db2.gz BXQOHKJSXAVJOV-QGZVFWFLSA-N 2 2 368.522 0.356 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000631701582 492838514 /nfs/dbraw/zinc/83/85/14/492838514.db2.gz XQLABEZNFUFTNY-UHFFFAOYSA-N 2 2 365.503 0.434 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000631852880 492863592 /nfs/dbraw/zinc/86/35/92/492863592.db2.gz IGHJANCWTYQRPY-HDICACEKSA-N 2 2 358.486 0.776 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000631910808 492876886 /nfs/dbraw/zinc/87/68/86/492876886.db2.gz NXFDMPSNFLXIQC-UHFFFAOYSA-N 2 2 353.492 0.128 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@@H](C)CO1 ZINC000658419564 492878863 /nfs/dbraw/zinc/87/88/63/492878863.db2.gz GUKYVVQYOMYTJB-KBPBESRZSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@@H](C)CO1 ZINC000658419564 492878865 /nfs/dbraw/zinc/87/88/65/492878865.db2.gz GUKYVVQYOMYTJB-KBPBESRZSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)[C@@H](C)CO1 ZINC000658419564 492878866 /nfs/dbraw/zinc/87/88/66/492878866.db2.gz GUKYVVQYOMYTJB-KBPBESRZSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)[C@@H](C)CO1 ZINC000658419564 492878868 /nfs/dbraw/zinc/87/88/68/492878868.db2.gz GUKYVVQYOMYTJB-KBPBESRZSA-N 2 2 360.458 0.796 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658422745 492882661 /nfs/dbraw/zinc/88/26/61/492882661.db2.gz GBTWMXCMPYGUMX-ZDUSSCGKSA-N 2 2 363.462 0.622 20 0 FCADLP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000645265532 492885586 /nfs/dbraw/zinc/88/55/86/492885586.db2.gz KLZKZNIMFUZJTB-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145877 492886005 /nfs/dbraw/zinc/88/60/05/492886005.db2.gz BIPTTZMVTHYUEZ-QZWWFDLISA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145877 492886008 /nfs/dbraw/zinc/88/60/08/492886008.db2.gz BIPTTZMVTHYUEZ-QZWWFDLISA-N 2 2 354.495 0.635 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000625870246 492896892 /nfs/dbraw/zinc/89/68/92/492896892.db2.gz JWTDVNDDTCWTBH-SFHVURJKSA-N 2 2 374.485 0.679 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000625870246 492896896 /nfs/dbraw/zinc/89/68/96/492896896.db2.gz JWTDVNDDTCWTBH-SFHVURJKSA-N 2 2 374.485 0.679 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000625870246 492896901 /nfs/dbraw/zinc/89/69/01/492896901.db2.gz JWTDVNDDTCWTBH-SFHVURJKSA-N 2 2 374.485 0.679 20 0 FCADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000625870246 492896904 /nfs/dbraw/zinc/89/69/04/492896904.db2.gz JWTDVNDDTCWTBH-SFHVURJKSA-N 2 2 374.485 0.679 20 0 FCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000638056871 492897561 /nfs/dbraw/zinc/89/75/61/492897561.db2.gz MBCSBHVCRBUWDW-VQIMIIECSA-N 2 2 357.458 0.746 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638063946 492898677 /nfs/dbraw/zinc/89/86/77/492898677.db2.gz YBAFCDRCCURINF-YJBOKZPZSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638063946 492898679 /nfs/dbraw/zinc/89/86/79/492898679.db2.gz YBAFCDRCCURINF-YJBOKZPZSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000638104410 492906805 /nfs/dbraw/zinc/90/68/05/492906805.db2.gz ZKKNBFIUNFSJTH-GDAAHCPNSA-N 2 2 361.486 0.977 20 0 FCADLP CC(C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000632032065 492915169 /nfs/dbraw/zinc/91/51/69/492915169.db2.gz SAEFJPSRXBBWIV-QGZVFWFLSA-N 2 2 360.568 0.664 20 0 FCADLP C[C@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000638137398 492915716 /nfs/dbraw/zinc/91/57/16/492915716.db2.gz JVMONMHDSFLRNI-ZIFCJYIRSA-N 2 2 362.518 0.919 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(CC)[C@H]2c2[nH+]ccn2C)CC[C@@H]1[NH3+] ZINC000638207149 492922420 /nfs/dbraw/zinc/92/24/20/492922420.db2.gz MWLCYUPZFWGBMD-OCVGTWLNSA-N 2 2 363.462 0.294 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000626087649 492928840 /nfs/dbraw/zinc/92/88/40/492928840.db2.gz VWNJUQAQTNMHLX-UHFFFAOYSA-N 2 2 350.463 0.161 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000658537622 492935753 /nfs/dbraw/zinc/93/57/53/492935753.db2.gz RAEZGOFSWILFEB-QGZVFWFLSA-N 2 2 360.458 0.620 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000658537620 492936092 /nfs/dbraw/zinc/93/60/92/492936092.db2.gz RAEZGOFSWILFEB-KRWDZBQOSA-N 2 2 360.458 0.620 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)[C@@H](C)CO1 ZINC000638407140 492944786 /nfs/dbraw/zinc/94/47/86/492944786.db2.gz UOAXHPZWWBSAMN-QJPTWQEYSA-N 2 2 372.420 0.589 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)[C@@H](C)CO1 ZINC000638407140 492944788 /nfs/dbraw/zinc/94/47/88/492944788.db2.gz UOAXHPZWWBSAMN-QJPTWQEYSA-N 2 2 372.420 0.589 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638481734 492954393 /nfs/dbraw/zinc/95/43/93/492954393.db2.gz NEIATALEPPBQGW-QGZVFWFLSA-N 2 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638481734 492954381 /nfs/dbraw/zinc/95/43/81/492954381.db2.gz NEIATALEPPBQGW-QGZVFWFLSA-N 3 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638481734 492954385 /nfs/dbraw/zinc/95/43/85/492954385.db2.gz NEIATALEPPBQGW-QGZVFWFLSA-N 3 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638481734 492954388 /nfs/dbraw/zinc/95/43/88/492954388.db2.gz NEIATALEPPBQGW-QGZVFWFLSA-N 2 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638481734 492954390 /nfs/dbraw/zinc/95/43/90/492954390.db2.gz NEIATALEPPBQGW-QGZVFWFLSA-N 2 2 354.539 0.754 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652528588 492962533 /nfs/dbraw/zinc/96/25/33/492962533.db2.gz XSESYVATXDWRAF-GOSISDBHSA-N 2 2 358.486 0.536 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652528588 492962537 /nfs/dbraw/zinc/96/25/37/492962537.db2.gz XSESYVATXDWRAF-GOSISDBHSA-N 2 2 358.486 0.536 20 0 FCADLP CC(C)[C@@H](C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000638753351 492976857 /nfs/dbraw/zinc/97/68/57/492976857.db2.gz VZDYLFWADSHUTF-SRABZTEZSA-N 2 2 364.494 0.563 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]([NH3+])c3c(F)cccc3F)CC2)C1=O ZINC000638856745 492982751 /nfs/dbraw/zinc/98/27/51/492982751.db2.gz SSMXSBOZDKDNNW-HOCLYGCPSA-N 2 2 366.412 0.776 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC(CC[NH3+])CC3)[nH+]c12 ZINC000652676607 492986040 /nfs/dbraw/zinc/98/60/40/492986040.db2.gz BMUWPNZSLOPLFZ-UHFFFAOYSA-N 2 2 357.458 0.889 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1(C)C ZINC000639005712 492991641 /nfs/dbraw/zinc/99/16/41/492991641.db2.gz ZVMNFOHKDZJWNT-APWZRJJASA-N 2 2 361.490 0.696 20 0 FCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1(C)C ZINC000639005714 492991813 /nfs/dbraw/zinc/99/18/13/492991813.db2.gz ZVMNFOHKDZJWNT-LPHOPBHVSA-N 2 2 361.490 0.696 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000645955980 492992572 /nfs/dbraw/zinc/99/25/72/492992572.db2.gz QUKAAUSIDIUTRK-SJLPKXTDSA-N 2 2 374.485 0.386 20 0 FCADLP OCC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000639314613 493005500 /nfs/dbraw/zinc/00/55/00/493005500.db2.gz MJBGBNFATXOJCR-UHFFFAOYSA-N 2 2 350.459 0.717 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652736284 493012444 /nfs/dbraw/zinc/01/24/44/493012444.db2.gz CEZVFWHKZWNMSK-GOSISDBHSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)[C@H](Cc2ccccc2)C1 ZINC000652736284 493012448 /nfs/dbraw/zinc/01/24/48/493012448.db2.gz CEZVFWHKZWNMSK-GOSISDBHSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000646106232 493012792 /nfs/dbraw/zinc/01/27/92/493012792.db2.gz SQSJBOJWZPPUHM-CVEARBPZSA-N 2 2 353.488 0.481 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000646106232 493012793 /nfs/dbraw/zinc/01/27/93/493012793.db2.gz SQSJBOJWZPPUHM-CVEARBPZSA-N 2 2 353.488 0.481 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701661 493034256 /nfs/dbraw/zinc/03/42/56/493034256.db2.gz HUIXSQIWCFOAIQ-WBVHZDCISA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701661 493034258 /nfs/dbraw/zinc/03/42/58/493034258.db2.gz HUIXSQIWCFOAIQ-WBVHZDCISA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000639701661 493034262 /nfs/dbraw/zinc/03/42/62/493034262.db2.gz HUIXSQIWCFOAIQ-WBVHZDCISA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000639701661 493034267 /nfs/dbraw/zinc/03/42/67/493034267.db2.gz HUIXSQIWCFOAIQ-WBVHZDCISA-N 2 2 364.490 0.986 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000632585985 493036924 /nfs/dbraw/zinc/03/69/24/493036924.db2.gz HMKWNTNCGZOSTP-AWEZNQCLSA-N 2 2 351.451 0.327 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658785185 493054521 /nfs/dbraw/zinc/05/45/21/493054521.db2.gz LVFVFAYMMZNPMH-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639850024 493056135 /nfs/dbraw/zinc/05/61/35/493056135.db2.gz AMSIWQFYOZPJIO-QUCCMNQESA-N 2 2 361.486 0.457 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639850024 493056134 /nfs/dbraw/zinc/05/61/34/493056134.db2.gz AMSIWQFYOZPJIO-QUCCMNQESA-N 2 2 361.486 0.457 20 0 FCADLP Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1C ZINC000653061623 493065250 /nfs/dbraw/zinc/06/52/50/493065250.db2.gz WYJMWCJSOHWBEP-AWEZNQCLSA-N 2 2 356.492 0.771 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000653066090 493065283 /nfs/dbraw/zinc/06/52/83/493065283.db2.gz DKPDWCUCMLIFRU-INIZCTEOSA-N 2 2 350.438 0.826 20 0 FCADLP Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1F ZINC000653066062 493065599 /nfs/dbraw/zinc/06/55/99/493065599.db2.gz CDTWWWRHABMOEA-INIZCTEOSA-N 2 2 350.438 0.698 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000653066473 493066288 /nfs/dbraw/zinc/06/62/88/493066288.db2.gz UHRCFXRXJJJIJC-INIZCTEOSA-N 2 2 350.438 0.779 20 0 FCADLP C[C@@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000626933897 493066464 /nfs/dbraw/zinc/06/64/64/493066464.db2.gz PLPGSBRPYYSCSM-DOTOQJQBSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000653075757 493067263 /nfs/dbraw/zinc/06/72/63/493067263.db2.gz ZRJFFOBWUXMWGI-DOMZBBRYSA-N 2 2 356.492 0.393 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000653078865 493067879 /nfs/dbraw/zinc/06/78/79/493067879.db2.gz LWOANEWAUBNCFY-ZDUSSCGKSA-N 3 2 354.417 0.379 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000653079246 493068090 /nfs/dbraw/zinc/06/80/90/493068090.db2.gz XVCNMGYDXWIHKO-TZMCWYRMSA-N 2 2 363.380 0.840 20 0 FCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000653085096 493068779 /nfs/dbraw/zinc/06/87/79/493068779.db2.gz CQNGUBGVJKXYQB-IUODEOHRSA-N 2 2 356.492 0.393 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653109516 493071725 /nfs/dbraw/zinc/07/17/25/493071725.db2.gz DHOXNPNVJYJKFH-SJORKVTESA-N 2 2 350.507 0.921 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000653111365 493071924 /nfs/dbraw/zinc/07/19/24/493071924.db2.gz NIPOXLSKXCYROT-CUSZFKRNSA-N 2 2 368.522 0.483 20 0 FCADLP C[NH+](C)CC[C@H](N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000653107626 493071996 /nfs/dbraw/zinc/07/19/96/493071996.db2.gz QTYZUNSIRJAOLK-KRWDZBQOSA-N 2 2 361.490 0.485 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000653107626 493071999 /nfs/dbraw/zinc/07/19/99/493071999.db2.gz QTYZUNSIRJAOLK-KRWDZBQOSA-N 3 2 361.490 0.485 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000653113866 493072406 /nfs/dbraw/zinc/07/24/06/493072406.db2.gz QMHBKLTZGBCQCG-SJORKVTESA-N 2 2 352.454 0.594 20 0 FCADLP Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000639962653 493072632 /nfs/dbraw/zinc/07/26/32/493072632.db2.gz YHGKIMGDBOXGOK-UHFFFAOYSA-N 2 2 358.486 0.963 20 0 FCADLP CC1CCC(NC(=O)CN2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)CC1 ZINC000653116636 493072937 /nfs/dbraw/zinc/07/29/37/493072937.db2.gz NSCVBRIRGMAFQQ-OFLPRAFFSA-N 2 2 367.538 0.105 20 0 FCADLP CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116295 493073213 /nfs/dbraw/zinc/07/32/13/493073213.db2.gz BCNRIIUKWUEJLN-LLVKDONJSA-N 2 2 372.267 0.520 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653117556 493074217 /nfs/dbraw/zinc/07/42/17/493074217.db2.gz OYVSWXBSFUIKNQ-OWCLPIDISA-N 2 2 354.495 0.189 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000653124441 493074720 /nfs/dbraw/zinc/07/47/20/493074720.db2.gz YSSRBAZKOYZZDP-HUUCEWRRSA-N 3 2 353.536 0.432 20 0 FCADLP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000653124881 493076106 /nfs/dbraw/zinc/07/61/06/493076106.db2.gz KMDXUZDMFPSAEO-HNNXBMFYSA-N 2 2 374.489 0.655 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000653125633 493076308 /nfs/dbraw/zinc/07/63/08/493076308.db2.gz LEFUJOAWPNWGCO-KRWDZBQOSA-N 3 2 367.925 0.857 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000640051120 493079942 /nfs/dbraw/zinc/07/99/42/493079942.db2.gz IFYLBCLKASWNQU-KRWDZBQOSA-N 2 2 358.486 0.855 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000640051120 493079947 /nfs/dbraw/zinc/07/99/47/493079947.db2.gz IFYLBCLKASWNQU-KRWDZBQOSA-N 2 2 358.486 0.855 20 0 FCADLP CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2 ZINC000653161150 493080207 /nfs/dbraw/zinc/08/02/07/493080207.db2.gz FLPKLHJZGJJZBS-HNNXBMFYSA-N 2 2 368.503 0.101 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653184649 493081569 /nfs/dbraw/zinc/08/15/69/493081569.db2.gz RQLUECIQWQEBOP-ARFHVFGLSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653184649 493081577 /nfs/dbraw/zinc/08/15/77/493081577.db2.gz RQLUECIQWQEBOP-ARFHVFGLSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1CC[NH3+] ZINC000653239612 493084618 /nfs/dbraw/zinc/08/46/18/493084618.db2.gz CIQJQVCGONSCNQ-IXDOHACOSA-N 2 2 366.506 0.143 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627150859 493097517 /nfs/dbraw/zinc/09/75/17/493097517.db2.gz VPOQDLSAJSTUHU-KBPBESRZSA-N 2 2 368.457 0.140 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000646801515 493098430 /nfs/dbraw/zinc/09/84/30/493098430.db2.gz VBUVCFSMOXJUGI-UHFFFAOYSA-N 2 2 352.402 0.711 20 0 FCADLP CN1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)[C@@H](C[NH3+])C1 ZINC000646833702 493108431 /nfs/dbraw/zinc/10/84/31/493108431.db2.gz BLNPHUCGUZJZQQ-KRWDZBQOSA-N 2 2 370.457 0.627 20 0 FCADLP CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653398818 493120226 /nfs/dbraw/zinc/12/02/26/493120226.db2.gz RROUHWONNYREBH-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653398818 493120231 /nfs/dbraw/zinc/12/02/31/493120231.db2.gz RROUHWONNYREBH-DJIMGWMZSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C[NH3+])C1 ZINC000658995157 493122449 /nfs/dbraw/zinc/12/24/49/493122449.db2.gz BIRPINNYMJQRON-CABCVRRESA-N 2 2 350.467 0.806 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109211 493130859 /nfs/dbraw/zinc/13/08/59/493130859.db2.gz NEIXHMMBUIRUDF-QAPCUYQASA-N 2 2 358.490 0.829 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633109211 493130860 /nfs/dbraw/zinc/13/08/60/493130860.db2.gz NEIXHMMBUIRUDF-QAPCUYQASA-N 2 2 358.490 0.829 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000633115502 493132616 /nfs/dbraw/zinc/13/26/16/493132616.db2.gz LDTDKXKPUVPOOM-HZPDHXFCSA-N 2 2 360.458 0.158 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000633115500 493132687 /nfs/dbraw/zinc/13/26/87/493132687.db2.gz LDTDKXKPUVPOOM-CVEARBPZSA-N 2 2 360.458 0.158 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633147598 493136599 /nfs/dbraw/zinc/13/65/99/493136599.db2.gz SUVXAEWTYCXEEZ-NFAWXSAZSA-N 2 2 350.488 0.901 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+](C)C1 ZINC000647052333 493153823 /nfs/dbraw/zinc/15/38/23/493153823.db2.gz XWGJNYNZQPFOCU-HOTGVXAUSA-N 2 2 359.474 0.719 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647052333 493153825 /nfs/dbraw/zinc/15/38/25/493153825.db2.gz XWGJNYNZQPFOCU-HOTGVXAUSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641053448 493164764 /nfs/dbraw/zinc/16/47/64/493164764.db2.gz SYQIIPFYQDMWHX-IRXDYDNUSA-N 2 2 365.522 0.857 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000641209261 493180962 /nfs/dbraw/zinc/18/09/62/493180962.db2.gz WFRDWZYBUGWUPN-QWHCGFSZSA-N 2 2 358.450 0.465 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681571292 493188047 /nfs/dbraw/zinc/18/80/47/493188047.db2.gz OJXBAVVWIBEDQK-XMTFNYHQSA-N 2 2 368.522 0.989 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681571292 493188056 /nfs/dbraw/zinc/18/80/56/493188056.db2.gz OJXBAVVWIBEDQK-XMTFNYHQSA-N 2 2 368.522 0.989 20 0 FCADLP CCOC1CC(CNC(=O)NCC2([NH3+])CCCC2)([NH+]2CCOCC2)C1 ZINC000659487044 493192087 /nfs/dbraw/zinc/19/20/87/493192087.db2.gz OJZBUTLXPQMUIJ-UHFFFAOYSA-N 2 2 354.495 0.827 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534507 493196260 /nfs/dbraw/zinc/19/62/60/493196260.db2.gz NZXYJDJSYSYERW-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000672534507 493196267 /nfs/dbraw/zinc/19/62/67/493196267.db2.gz NZXYJDJSYSYERW-QGZVFWFLSA-N 2 2 373.501 0.333 20 0 FCADLP COC[C@@]1(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC[NH2+]1 ZINC000659542048 493209385 /nfs/dbraw/zinc/20/93/85/493209385.db2.gz NDHGMSOGIHWHDZ-SFHVURJKSA-N 2 2 354.495 0.509 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637712 493219998 /nfs/dbraw/zinc/21/99/98/493219998.db2.gz NIUOTYGLAVNWKE-ZBFHGGJFSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000672637712 493220000 /nfs/dbraw/zinc/22/00/00/493220000.db2.gz NIUOTYGLAVNWKE-ZBFHGGJFSA-N 2 2 366.506 0.202 20 0 FCADLP CCCCN(CCCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638100 493220120 /nfs/dbraw/zinc/22/01/20/493220120.db2.gz JTDZEFRRUGXTQT-INIZCTEOSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCN(CCCO)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638100 493220123 /nfs/dbraw/zinc/22/01/23/493220123.db2.gz JTDZEFRRUGXTQT-INIZCTEOSA-N 2 2 368.522 0.282 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000672637561 493220207 /nfs/dbraw/zinc/22/02/07/493220207.db2.gz JSTHAOSOALNGCF-KSSFIOAISA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000672637561 493220209 /nfs/dbraw/zinc/22/02/09/493220209.db2.gz JSTHAOSOALNGCF-KSSFIOAISA-N 2 2 368.547 0.673 20 0 FCADLP CCCC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638072 493220220 /nfs/dbraw/zinc/22/02/20/493220220.db2.gz DCPKHCNPZUDADB-CVEARBPZSA-N 2 2 368.522 0.593 20 0 FCADLP CCCC[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638072 493220223 /nfs/dbraw/zinc/22/02/23/493220223.db2.gz DCPKHCNPZUDADB-CVEARBPZSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]1CC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672637422 493220253 /nfs/dbraw/zinc/22/02/53/493220253.db2.gz GTFBSZYZBGBTIY-RBSFLKMASA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1CC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672637422 493220256 /nfs/dbraw/zinc/22/02/56/493220256.db2.gz GTFBSZYZBGBTIY-RBSFLKMASA-N 2 2 366.506 0.343 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659620087 493221906 /nfs/dbraw/zinc/22/19/06/493221906.db2.gz GYDHLBNMXGSCOO-LYGPFTKASA-N 2 2 363.506 0.467 20 0 FCADLP CC[C@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641199 493225115 /nfs/dbraw/zinc/22/51/15/493225115.db2.gz NEXSCAZJBRPZOX-DNVCBOLYSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641199 493225117 /nfs/dbraw/zinc/22/51/17/493225117.db2.gz NEXSCAZJBRPZOX-DNVCBOLYSA-N 2 2 366.506 0.299 20 0 FCADLP CCOC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641497 493225644 /nfs/dbraw/zinc/22/56/44/493225644.db2.gz SEZPRCYFZGTCBB-RDJZCZTQSA-N 2 2 368.522 0.448 20 0 FCADLP CCOC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672641497 493225647 /nfs/dbraw/zinc/22/56/47/493225647.db2.gz SEZPRCYFZGTCBB-RDJZCZTQSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](c1ccncc1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641610 493225911 /nfs/dbraw/zinc/22/59/11/493225911.db2.gz UNJZVLXOJIGFJR-WBVHZDCISA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1ccncc1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641610 493225915 /nfs/dbraw/zinc/22/59/15/493225915.db2.gz UNJZVLXOJIGFJR-WBVHZDCISA-N 2 2 373.501 0.886 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCSC3)C2)CC1 ZINC000672641773 493226266 /nfs/dbraw/zinc/22/62/66/493226266.db2.gz TVSZEYKVSJLODJ-UONOGXRCSA-N 2 2 354.520 0.140 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCSC3)C2)CC1 ZINC000672641773 493226270 /nfs/dbraw/zinc/22/62/70/493226270.db2.gz TVSZEYKVSJLODJ-UONOGXRCSA-N 2 2 354.520 0.140 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641960 493226808 /nfs/dbraw/zinc/22/68/08/493226808.db2.gz UUNVEVSZOFYAME-KBPBESRZSA-N 2 2 372.460 0.823 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641960 493226811 /nfs/dbraw/zinc/22/68/11/493226811.db2.gz UUNVEVSZOFYAME-KBPBESRZSA-N 2 2 372.460 0.823 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000659642327 493227207 /nfs/dbraw/zinc/22/72/07/493227207.db2.gz WHUZASYWGVRDJK-TZMCWYRMSA-N 2 2 350.467 0.708 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](CC[NH3+])C2)CCC(=O)N1C ZINC000659641085 493227257 /nfs/dbraw/zinc/22/72/57/493227257.db2.gz LEYJJSHYQRQLEF-DZKIICNBSA-N 2 2 362.478 0.852 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC(=O)N1C ZINC000659641405 493227340 /nfs/dbraw/zinc/22/73/40/493227340.db2.gz OAJUDOZPNDBHHM-YEWWUXTCSA-N 2 2 360.462 0.477 20 0 FCADLP C[C@@H]1c2cccn2CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643372 493227704 /nfs/dbraw/zinc/22/77/04/493227704.db2.gz WNCAQGBBKZDFPU-CVEARBPZSA-N 2 2 373.501 0.676 20 0 FCADLP C[C@@H]1c2cccn2CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643372 493227708 /nfs/dbraw/zinc/22/77/08/493227708.db2.gz WNCAQGBBKZDFPU-CVEARBPZSA-N 2 2 373.501 0.676 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672692599 493233566 /nfs/dbraw/zinc/23/35/66/493233566.db2.gz GIQGTRPKVIEZMC-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976625 493243906 /nfs/dbraw/zinc/24/39/06/493243906.db2.gz LZHRXASSUHRJAZ-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672761963 493245815 /nfs/dbraw/zinc/24/58/15/493245815.db2.gz KBHNTRRTRZXVHS-UHFFFAOYSA-N 2 2 357.458 0.856 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000672761963 493245816 /nfs/dbraw/zinc/24/58/16/493245816.db2.gz KBHNTRRTRZXVHS-UHFFFAOYSA-N 2 2 357.458 0.856 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)[nH+]c12 ZINC000672765252 493247122 /nfs/dbraw/zinc/24/71/22/493247122.db2.gz GMGRKSHRPXFYDL-RHSMWYFYSA-N 2 2 369.469 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH+]c12 ZINC000672765252 493247123 /nfs/dbraw/zinc/24/71/23/493247123.db2.gz GMGRKSHRPXFYDL-RHSMWYFYSA-N 2 2 369.469 0.900 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672766100 493247261 /nfs/dbraw/zinc/24/72/61/493247261.db2.gz YMIAPWVHJBZLEZ-MRXNPFEDSA-N 2 2 357.458 0.902 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672766100 493247265 /nfs/dbraw/zinc/24/72/65/493247265.db2.gz YMIAPWVHJBZLEZ-MRXNPFEDSA-N 2 2 357.458 0.902 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)[nH+]c12 ZINC000672766400 493247471 /nfs/dbraw/zinc/24/74/71/493247471.db2.gz ZHIPEDHMXRJJFX-CQSZACIVSA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)[nH+]c12 ZINC000672766400 493247475 /nfs/dbraw/zinc/24/74/75/493247475.db2.gz ZHIPEDHMXRJJFX-CQSZACIVSA-N 2 2 357.458 0.900 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672765373 493247739 /nfs/dbraw/zinc/24/77/39/493247739.db2.gz JEUIKZNUNYJKQQ-INIZCTEOSA-N 2 2 373.457 0.138 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000672765373 493247742 /nfs/dbraw/zinc/24/77/42/493247742.db2.gz JEUIKZNUNYJKQQ-INIZCTEOSA-N 2 2 373.457 0.138 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000672848966 493258033 /nfs/dbraw/zinc/25/80/33/493258033.db2.gz FJLCEJXMIIPRLZ-LRDDRELGSA-N 2 2 358.446 0.775 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659696805 493258671 /nfs/dbraw/zinc/25/86/71/493258671.db2.gz NPSWFPUBGIJZSF-CVEARBPZSA-N 2 2 359.474 0.552 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659699596 493260048 /nfs/dbraw/zinc/26/00/48/493260048.db2.gz YUBQXFVZOIGSJA-WBVHZDCISA-N 2 2 366.506 0.062 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[N@H+](CCO)C(C)(C)C1)n2C ZINC000682010593 493261818 /nfs/dbraw/zinc/26/18/18/493261818.db2.gz NAKXKOYDTHIRFT-UHFFFAOYSA-N 2 2 360.462 0.563 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)n2C ZINC000682010593 493261819 /nfs/dbraw/zinc/26/18/19/493261819.db2.gz NAKXKOYDTHIRFT-UHFFFAOYSA-N 2 2 360.462 0.563 20 0 FCADLP CC1(C)CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1CCO ZINC000682032444 493264434 /nfs/dbraw/zinc/26/44/34/493264434.db2.gz HDICTXWCHMTYTM-UHFFFAOYSA-N 2 2 374.529 0.719 20 0 FCADLP CC1(C)CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1CCO ZINC000682032444 493264437 /nfs/dbraw/zinc/26/44/37/493264437.db2.gz HDICTXWCHMTYTM-UHFFFAOYSA-N 2 2 374.529 0.719 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000667262944 493270464 /nfs/dbraw/zinc/27/04/64/493270464.db2.gz QTSZXIBVPVTLMZ-INIZCTEOSA-N 2 2 360.458 0.716 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CCC[NH2+]C1 ZINC000659723167 493272922 /nfs/dbraw/zinc/27/29/22/493272922.db2.gz KTNPBEGAFLWISS-IBGZPJMESA-N 2 2 359.474 0.804 20 0 FCADLP COc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672969698 493273133 /nfs/dbraw/zinc/27/31/33/493273133.db2.gz AEKOFNSAXHEXMA-AWEZNQCLSA-N 2 2 361.446 0.313 20 0 FCADLP COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000672969698 493273137 /nfs/dbraw/zinc/27/31/37/493273137.db2.gz AEKOFNSAXHEXMA-AWEZNQCLSA-N 2 2 361.446 0.313 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sn1 ZINC000672969793 493273377 /nfs/dbraw/zinc/27/33/77/493273377.db2.gz OBHYFUYUDRHQCO-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sn1 ZINC000672969793 493273379 /nfs/dbraw/zinc/27/33/79/493273379.db2.gz OBHYFUYUDRHQCO-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000641667618 493274032 /nfs/dbraw/zinc/27/40/32/493274032.db2.gz HEAZXCLSNUXETR-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000641667618 493274034 /nfs/dbraw/zinc/27/40/34/493274034.db2.gz HEAZXCLSNUXETR-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732904 493277993 /nfs/dbraw/zinc/27/79/93/493277993.db2.gz AKSNVXOAYHCJSC-UHFFFAOYSA-N 2 2 374.485 0.727 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)[C@H](Cc2ccccc2)C1 ZINC000659736382 493279436 /nfs/dbraw/zinc/27/94/36/493279436.db2.gz ZWWOWUMCIJFQTQ-QGZVFWFLSA-N 2 2 358.486 0.759 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)[C@H](Cc2ccccc2)C1 ZINC000659736382 493279439 /nfs/dbraw/zinc/27/94/39/493279439.db2.gz ZWWOWUMCIJFQTQ-QGZVFWFLSA-N 2 2 358.486 0.759 20 0 FCADLP Cc1nn(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682270254 493284419 /nfs/dbraw/zinc/28/44/19/493284419.db2.gz IAOZOOITDSWILO-CQSZACIVSA-N 2 2 362.478 0.260 20 0 FCADLP Cc1nn(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682270254 493284421 /nfs/dbraw/zinc/28/44/21/493284421.db2.gz IAOZOOITDSWILO-CQSZACIVSA-N 2 2 362.478 0.260 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000659751662 493286088 /nfs/dbraw/zinc/28/60/88/493286088.db2.gz IKNQLUYOCRBZHM-AWEZNQCLSA-N 2 2 350.438 0.584 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000659751662 493286089 /nfs/dbraw/zinc/28/60/89/493286089.db2.gz IKNQLUYOCRBZHM-AWEZNQCLSA-N 2 2 350.438 0.584 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540585 493289295 /nfs/dbraw/zinc/28/92/95/493289295.db2.gz OMTIMNHFMZVBTA-QAPCUYQASA-N 2 2 372.469 0.668 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000673285338 493312767 /nfs/dbraw/zinc/31/27/67/493312767.db2.gz NVCJUSNHEBRQHW-SFHVURJKSA-N 2 2 356.470 0.844 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000673285338 493312770 /nfs/dbraw/zinc/31/27/70/493312770.db2.gz NVCJUSNHEBRQHW-SFHVURJKSA-N 2 2 356.470 0.844 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673301257 493314789 /nfs/dbraw/zinc/31/47/89/493314789.db2.gz IQIBHUQSXNFVEF-MRXNPFEDSA-N 2 2 361.490 0.823 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000673351325 493320246 /nfs/dbraw/zinc/32/02/46/493320246.db2.gz VWKHZMOZILEYCC-UHFFFAOYSA-N 2 2 368.503 0.087 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660655959 493370340 /nfs/dbraw/zinc/37/03/40/493370340.db2.gz FXDYDSZQZUDKFF-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673031 493371557 /nfs/dbraw/zinc/37/15/57/493371557.db2.gz ZINYQHJFFTXLOS-INIZCTEOSA-N 2 2 372.535 0.403 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673031 493371558 /nfs/dbraw/zinc/37/15/58/493371558.db2.gz ZINYQHJFFTXLOS-INIZCTEOSA-N 2 2 372.535 0.403 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673031 493371559 /nfs/dbraw/zinc/37/15/59/493371559.db2.gz ZINYQHJFFTXLOS-INIZCTEOSA-N 2 2 372.535 0.403 20 0 FCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000660673031 493371561 /nfs/dbraw/zinc/37/15/61/493371561.db2.gz ZINYQHJFFTXLOS-INIZCTEOSA-N 2 2 372.535 0.403 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000683813865 493371719 /nfs/dbraw/zinc/37/17/19/493371719.db2.gz SYVFCTBMXRZHME-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000683813865 493371721 /nfs/dbraw/zinc/37/17/21/493371721.db2.gz SYVFCTBMXRZHME-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000673993858 493380539 /nfs/dbraw/zinc/38/05/39/493380539.db2.gz SNNWHRYYIBHQFT-HZPDHXFCSA-N 2 2 358.446 0.961 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000674000416 493381317 /nfs/dbraw/zinc/38/13/17/493381317.db2.gz JWZWPENLTIBRDP-UHFFFAOYSA-N 2 2 373.457 0.646 20 0 FCADLP COCCn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1=O ZINC000674001790 493381772 /nfs/dbraw/zinc/38/17/72/493381772.db2.gz WKLRYYAXSMUCPL-UHFFFAOYSA-N 2 2 350.463 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000683972971 493383588 /nfs/dbraw/zinc/38/35/88/493383588.db2.gz WIWCJZJDSSSWBJ-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000683972971 493383590 /nfs/dbraw/zinc/38/35/90/493383590.db2.gz WIWCJZJDSSSWBJ-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000683972971 493383593 /nfs/dbraw/zinc/38/35/93/493383593.db2.gz WIWCJZJDSSSWBJ-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H](C)O1 ZINC000683972971 493383594 /nfs/dbraw/zinc/38/35/94/493383594.db2.gz WIWCJZJDSSSWBJ-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000683982392 493384180 /nfs/dbraw/zinc/38/41/80/493384180.db2.gz ZWHZVBAEACAMPL-HNNXBMFYSA-N 2 2 351.495 0.513 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000674061600 493385507 /nfs/dbraw/zinc/38/55/07/493385507.db2.gz BEVJFAMRNXPFCF-IAGOWNOFSA-N 2 2 361.490 0.986 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638901 493388855 /nfs/dbraw/zinc/38/88/55/493388855.db2.gz CJPNCNLCFLAFOY-UTKZUKDTSA-N 2 2 370.497 0.729 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638901 493388858 /nfs/dbraw/zinc/38/88/58/493388858.db2.gz CJPNCNLCFLAFOY-UTKZUKDTSA-N 2 2 370.497 0.729 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000674237917 493403237 /nfs/dbraw/zinc/40/32/37/493403237.db2.gz OFSVYPQWHGUVFM-UHFFFAOYSA-N 2 2 374.485 0.455 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000661029841 493403365 /nfs/dbraw/zinc/40/33/65/493403365.db2.gz NXIBPJOIJDTGRE-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[NH+](C)C ZINC000674289317 493405256 /nfs/dbraw/zinc/40/52/56/493405256.db2.gz DOVUZTHNAQWPQK-LSDHHAIUSA-N 2 2 362.478 0.348 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[NH+](C)C ZINC000674289317 493405259 /nfs/dbraw/zinc/40/52/59/493405259.db2.gz DOVUZTHNAQWPQK-LSDHHAIUSA-N 2 2 362.478 0.348 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000684478735 493414747 /nfs/dbraw/zinc/41/47/47/493414747.db2.gz JNVAIGTZYMPXSW-CQSZACIVSA-N 2 2 373.505 0.978 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000684478735 493414749 /nfs/dbraw/zinc/41/47/49/493414749.db2.gz JNVAIGTZYMPXSW-CQSZACIVSA-N 2 2 373.505 0.978 20 0 FCADLP CC(C)n1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684640585 493425141 /nfs/dbraw/zinc/42/51/41/493425141.db2.gz WSZJFVVYRGXNPD-CQSZACIVSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000684640585 493425143 /nfs/dbraw/zinc/42/51/43/493425143.db2.gz WSZJFVVYRGXNPD-CQSZACIVSA-N 2 2 362.478 0.687 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1F ZINC000668889109 493429139 /nfs/dbraw/zinc/42/91/39/493429139.db2.gz RXZQAYGRWNCAMI-BBRMVZONSA-N 2 2 360.437 0.851 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000684966692 493439993 /nfs/dbraw/zinc/43/99/93/493439993.db2.gz MAODJRMZANZCKV-AWEZNQCLSA-N 2 2 373.494 0.940 20 0 FCADLP C[NH+](C)CCN1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1=O ZINC000661550802 493446586 /nfs/dbraw/zinc/44/65/86/493446586.db2.gz LCYVIVQGNKARFF-UHFFFAOYSA-N 2 2 374.489 0.597 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)C2)CC1 ZINC000674928101 493459960 /nfs/dbraw/zinc/45/99/60/493459960.db2.gz UXZFUZYEWUYNFC-CGTJXYLNSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)C2)CC1 ZINC000674928101 493459963 /nfs/dbraw/zinc/45/99/63/493459963.db2.gz UXZFUZYEWUYNFC-CGTJXYLNSA-N 2 2 366.506 0.744 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199562 493476142 /nfs/dbraw/zinc/47/61/42/493476142.db2.gz ZGDJUVRMNSWXSX-HUUCEWRRSA-N 2 2 359.474 0.766 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669199562 493476144 /nfs/dbraw/zinc/47/61/44/493476144.db2.gz ZGDJUVRMNSWXSX-HUUCEWRRSA-N 2 2 359.474 0.766 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685338999 493479548 /nfs/dbraw/zinc/47/95/48/493479548.db2.gz BPWCXOJJPOXEIM-FUHWJXTLSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338999 493479550 /nfs/dbraw/zinc/47/95/50/493479550.db2.gz BPWCXOJJPOXEIM-FUHWJXTLSA-N 2 2 374.485 0.166 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661983033 493479968 /nfs/dbraw/zinc/47/99/68/493479968.db2.gz CXCLFNPDZXSZCK-DLBZAZTESA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661983036 493480142 /nfs/dbraw/zinc/48/01/42/493480142.db2.gz CXCLFNPDZXSZCK-IRXDYDNUSA-N 2 2 352.479 0.356 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444018 493492424 /nfs/dbraw/zinc/49/24/24/493492424.db2.gz PHJZUJSVYZPMLJ-DOTOQJQBSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444018 493492427 /nfs/dbraw/zinc/49/24/27/493492427.db2.gz PHJZUJSVYZPMLJ-DOTOQJQBSA-N 2 2 364.490 0.076 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662156287 493493356 /nfs/dbraw/zinc/49/33/56/493493356.db2.gz LIEWXFCFUANMRY-OAHLLOKOSA-N 2 2 350.463 0.382 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662156287 493493357 /nfs/dbraw/zinc/49/33/57/493493357.db2.gz LIEWXFCFUANMRY-OAHLLOKOSA-N 2 2 350.463 0.382 20 0 FCADLP C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290813 493503713 /nfs/dbraw/zinc/50/37/13/493503713.db2.gz KVMMIIGCOJOPEO-PVAVHDDUSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292350 493503908 /nfs/dbraw/zinc/50/39/08/493503908.db2.gz DXPVGSGRLKDXMW-BMFZPTHFSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292350 493503910 /nfs/dbraw/zinc/50/39/10/493503910.db2.gz DXPVGSGRLKDXMW-BMFZPTHFSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292353 493503960 /nfs/dbraw/zinc/50/39/60/493503960.db2.gz DXPVGSGRLKDXMW-KBMXLJTQSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292353 493503962 /nfs/dbraw/zinc/50/39/62/493503962.db2.gz DXPVGSGRLKDXMW-KBMXLJTQSA-N 2 2 357.520 0.390 20 0 FCADLP C[NH+](C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568536 493504099 /nfs/dbraw/zinc/50/40/99/493504099.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568536 493504101 /nfs/dbraw/zinc/50/41/01/493504101.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568536 493504103 /nfs/dbraw/zinc/50/41/03/493504103.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568536 493504105 /nfs/dbraw/zinc/50/41/05/493504105.db2.gz HPJOCEIUWDFVSN-MOPGFXCFSA-N 3 2 368.566 0.293 20 0 FCADLP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N1CCNC(=O)C1 ZINC000662326986 493506794 /nfs/dbraw/zinc/50/67/94/493506794.db2.gz CFDMCLNLRLFBEI-UHFFFAOYSA-N 2 2 374.489 0.015 20 0 FCADLP [NH3+]C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000669479597 493506961 /nfs/dbraw/zinc/50/69/61/493506961.db2.gz ZYVAMUQQJKYFSW-INIZCTEOSA-N 2 2 365.522 0.701 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCN2c3ccccc3OCC2=O)[C@H](C[NH3+])C1 ZINC000669498126 493508557 /nfs/dbraw/zinc/50/85/57/493508557.db2.gz ODXIJUDAGBXXSY-CQSZACIVSA-N 2 2 361.446 0.086 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCN2c3ccccc3OCC2=O)[C@H](C[NH3+])C1 ZINC000669498126 493508561 /nfs/dbraw/zinc/50/85/61/493508561.db2.gz ODXIJUDAGBXXSY-CQSZACIVSA-N 2 2 361.446 0.086 20 0 FCADLP Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662368300 493510524 /nfs/dbraw/zinc/51/05/24/493510524.db2.gz NWMIRXRRKOVOAY-LSDHHAIUSA-N 2 2 350.467 0.208 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685786084 493515101 /nfs/dbraw/zinc/51/51/01/493515101.db2.gz XHDWEMPVUCMTEF-GDBMZVCRSA-N 2 2 360.506 0.547 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685786084 493515104 /nfs/dbraw/zinc/51/51/04/493515104.db2.gz XHDWEMPVUCMTEF-GDBMZVCRSA-N 2 2 360.506 0.547 20 0 FCADLP [NH3+]CCn1cc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)nn1 ZINC000662545756 493525379 /nfs/dbraw/zinc/52/53/79/493525379.db2.gz IZIGMEFODDRZJS-AWEZNQCLSA-N 2 2 371.445 0.526 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000662757366 493539388 /nfs/dbraw/zinc/53/93/88/493539388.db2.gz LMEVCXUDQQQPDA-KRWDZBQOSA-N 2 2 358.486 0.421 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306896 493544752 /nfs/dbraw/zinc/54/47/52/493544752.db2.gz WUYMCRYSFPPHHY-DZVNLGKHSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306896 493544754 /nfs/dbraw/zinc/54/47/54/493544754.db2.gz WUYMCRYSFPPHHY-DZVNLGKHSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676306902 493544817 /nfs/dbraw/zinc/54/48/17/493544817.db2.gz WUYMCRYSFPPHHY-WKULXVSPSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676306902 493544818 /nfs/dbraw/zinc/54/48/18/493544818.db2.gz WUYMCRYSFPPHHY-WKULXVSPSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306902 493544820 /nfs/dbraw/zinc/54/48/20/493544820.db2.gz WUYMCRYSFPPHHY-WKULXVSPSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306902 493544821 /nfs/dbraw/zinc/54/48/21/493544821.db2.gz WUYMCRYSFPPHHY-WKULXVSPSA-N 2 2 368.522 0.989 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nn1 ZINC000662851068 493546956 /nfs/dbraw/zinc/54/69/56/493546956.db2.gz VYGDQFGETMVRQI-MSOLQXFVSA-N 2 2 370.457 0.352 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nn1 ZINC000662851068 493546959 /nfs/dbraw/zinc/54/69/59/493546959.db2.gz VYGDQFGETMVRQI-MSOLQXFVSA-N 2 2 370.457 0.352 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662928406 493554705 /nfs/dbraw/zinc/55/47/05/493554705.db2.gz OUNBGABPBZAOGF-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP CN(C(=O)C(=O)NCc1ccncc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670421188 493564455 /nfs/dbraw/zinc/56/44/55/493564455.db2.gz XJDKLMNODQLXFM-QGZVFWFLSA-N 2 2 359.474 0.325 20 0 FCADLP CN(C(=O)C(=O)NCc1ccncc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670421188 493564457 /nfs/dbraw/zinc/56/44/57/493564457.db2.gz XJDKLMNODQLXFM-QGZVFWFLSA-N 2 2 359.474 0.325 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(CO)CCOCC3)C2)CC1 ZINC000676690304 493566840 /nfs/dbraw/zinc/56/68/40/493566840.db2.gz HUZQTFLVVGITPF-HNNXBMFYSA-N 2 2 354.495 0.243 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(CO)CCOCC3)C2)CC1 ZINC000676690304 493566841 /nfs/dbraw/zinc/56/68/41/493566841.db2.gz HUZQTFLVVGITPF-HNNXBMFYSA-N 2 2 354.495 0.243 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccco1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670640921 493584387 /nfs/dbraw/zinc/58/43/87/493584387.db2.gz PYBCDGZMTNSIRX-MRXNPFEDSA-N 2 2 362.474 0.565 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccco1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670640921 493584389 /nfs/dbraw/zinc/58/43/89/493584389.db2.gz PYBCDGZMTNSIRX-MRXNPFEDSA-N 2 2 362.474 0.565 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCOCC1 ZINC000663552227 493597102 /nfs/dbraw/zinc/59/71/02/493597102.db2.gz DLWFHCJCROEBIA-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCOCC1 ZINC000663552227 493597104 /nfs/dbraw/zinc/59/71/04/493597104.db2.gz DLWFHCJCROEBIA-BRWVUGGUSA-N 2 2 356.511 0.752 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000677577119 493609332 /nfs/dbraw/zinc/60/93/32/493609332.db2.gz CWNCGKQXLPDWAJ-SFHVURJKSA-N 3 2 367.538 0.519 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000670978573 493617476 /nfs/dbraw/zinc/61/74/76/493617476.db2.gz BUGLIOQMWLDBPN-UHFFFAOYSA-N 2 2 368.441 0.508 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000670983422 493619049 /nfs/dbraw/zinc/61/90/49/493619049.db2.gz OZCJBGWOSCXKIQ-INIZCTEOSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000670985266 493620617 /nfs/dbraw/zinc/62/06/17/493620617.db2.gz LKVSAGKJAYOYPH-DOTOQJQBSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000670985266 493620619 /nfs/dbraw/zinc/62/06/19/493620619.db2.gz LKVSAGKJAYOYPH-DOTOQJQBSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@H]1CN(c2nc(N3CCOCC3)cc[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677884653 493621261 /nfs/dbraw/zinc/62/12/61/493621261.db2.gz NYDSYSRUHRXAOW-IRXDYDNUSA-N 2 2 360.506 0.775 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065182 493628853 /nfs/dbraw/zinc/62/88/53/493628853.db2.gz DWSJPSFKRWYBLT-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065182 493628856 /nfs/dbraw/zinc/62/88/56/493628856.db2.gz DWSJPSFKRWYBLT-MRXNPFEDSA-N 2 2 359.474 0.291 20 0 FCADLP CN(C(=O)C(=O)NCC1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671072071 493629957 /nfs/dbraw/zinc/62/99/57/493629957.db2.gz CWVUIDNCHDSTHO-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NCC1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671072071 493629960 /nfs/dbraw/zinc/62/99/60/493629960.db2.gz CWVUIDNCHDSTHO-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664027286 493631020 /nfs/dbraw/zinc/63/10/20/493631020.db2.gz YPOBYWKFULTHDR-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)cn1 ZINC000678061421 493632321 /nfs/dbraw/zinc/63/23/21/493632321.db2.gz UOXLVHAQCDIMHI-QGZVFWFLSA-N 2 2 363.506 0.906 20 0 FCADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)cn1 ZINC000678061421 493632323 /nfs/dbraw/zinc/63/23/23/493632323.db2.gz UOXLVHAQCDIMHI-QGZVFWFLSA-N 2 2 363.506 0.906 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104724 493634760 /nfs/dbraw/zinc/63/47/60/493634760.db2.gz KJDLQWVYTVVUKC-HOTGVXAUSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104724 493634763 /nfs/dbraw/zinc/63/47/63/493634763.db2.gz KJDLQWVYTVVUKC-HOTGVXAUSA-N 2 2 357.458 0.473 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107249 493635907 /nfs/dbraw/zinc/63/59/07/493635907.db2.gz MPTNSTJPXBMLNZ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107249 493635910 /nfs/dbraw/zinc/63/59/10/493635910.db2.gz MPTNSTJPXBMLNZ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107249 493635912 /nfs/dbraw/zinc/63/59/12/493635912.db2.gz MPTNSTJPXBMLNZ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000671107249 493635915 /nfs/dbraw/zinc/63/59/15/493635915.db2.gz MPTNSTJPXBMLNZ-TWMKSMIVSA-N 2 2 366.506 0.297 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+]1CCSCC1)C(C)(C)CO ZINC000664094546 493636500 /nfs/dbraw/zinc/63/65/00/493636500.db2.gz CUFGXYHHEPIOHP-CYBMUJFWSA-N 2 2 355.508 0.828 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000664175180 493641862 /nfs/dbraw/zinc/64/18/62/493641862.db2.gz XQOOUWBQCZSKLL-GVDBMIGSSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C)CO1 ZINC000664175180 493641866 /nfs/dbraw/zinc/64/18/66/493641866.db2.gz XQOOUWBQCZSKLL-GVDBMIGSSA-N 2 2 368.522 0.896 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000678446378 493644689 /nfs/dbraw/zinc/64/46/89/493644689.db2.gz HYDBWVQJYYVPDL-MAUKXSAKSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221822 493645730 /nfs/dbraw/zinc/64/57/30/493645730.db2.gz QUARQFPSIVTMAH-ZACQAIPSSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221822 493645735 /nfs/dbraw/zinc/64/57/35/493645735.db2.gz QUARQFPSIVTMAH-ZACQAIPSSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000671348512 493658511 /nfs/dbraw/zinc/65/85/11/493658511.db2.gz DYQCQOOZMYCNHI-OAHLLOKOSA-N 2 2 365.478 0.083 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000671348512 493658513 /nfs/dbraw/zinc/65/85/13/493658513.db2.gz DYQCQOOZMYCNHI-OAHLLOKOSA-N 2 2 365.478 0.083 20 0 FCADLP CCCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671353891 493659038 /nfs/dbraw/zinc/65/90/38/493659038.db2.gz HPLCBVVWOLQAIO-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CCCCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671353891 493659040 /nfs/dbraw/zinc/65/90/40/493659040.db2.gz HPLCBVVWOLQAIO-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2nc(C(N)=O)cs2)CC1 ZINC000664538563 493666825 /nfs/dbraw/zinc/66/68/25/493666825.db2.gz GQBYQWPDIDSRBE-UHFFFAOYSA-N 2 2 354.480 0.067 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000678990507 493667026 /nfs/dbraw/zinc/66/70/26/493667026.db2.gz MHYZMWRONUDUEI-FXAWDEMLSA-N 2 2 360.502 0.812 20 0 FCADLP C[C@@H](CCCCO)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000679333057 493676266 /nfs/dbraw/zinc/67/62/66/493676266.db2.gz DVYHWAZUFUIPFW-INIZCTEOSA-N 2 2 370.519 0.674 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000679389544 493677953 /nfs/dbraw/zinc/67/79/53/493677953.db2.gz HRBUTCZKVVTMIP-UHFFFAOYSA-N 2 2 354.476 0.256 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664758725 493681448 /nfs/dbraw/zinc/68/14/48/493681448.db2.gz FPAATGGTIJIGDV-MRXNPFEDSA-N 2 2 352.479 0.092 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664758725 493681450 /nfs/dbraw/zinc/68/14/50/493681450.db2.gz FPAATGGTIJIGDV-MRXNPFEDSA-N 2 2 352.479 0.092 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664760792 493682329 /nfs/dbraw/zinc/68/23/29/493682329.db2.gz XFJFWFUPMARENZ-QGZVFWFLSA-N 2 2 366.506 0.748 20 0 FCADLP Cc1nc([C@@H]2COCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)no1 ZINC000679617578 493689094 /nfs/dbraw/zinc/68/90/94/493689094.db2.gz UAHZBGGNEQCALN-HNNXBMFYSA-N 2 2 366.466 0.487 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](CC(N)=O)CC2)CC1 ZINC000671609303 493696621 /nfs/dbraw/zinc/69/66/21/493696621.db2.gz BVDJKINUPLHNLR-HNNXBMFYSA-N 2 2 353.511 0.700 20 0 FCADLP O=C(C[NH2+][C@H](CO)C1CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000679872103 493698425 /nfs/dbraw/zinc/69/84/25/493698425.db2.gz KQLLDAPITXFQLS-QGZVFWFLSA-N 2 2 367.515 0.769 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236321 493706484 /nfs/dbraw/zinc/70/64/84/493706484.db2.gz KGVOUJWFZGAWRM-WCQYABFASA-N 2 2 371.279 0.931 20 0 FCADLP CCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CC)C1 ZINC000665261503 493707479 /nfs/dbraw/zinc/70/74/79/493707479.db2.gz DQXWLZXHZOKXQV-JJRVBVJISA-N 2 2 362.478 0.866 20 0 FCADLP CCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CC)C1 ZINC000665261503 493707480 /nfs/dbraw/zinc/70/74/80/493707480.db2.gz DQXWLZXHZOKXQV-JJRVBVJISA-N 2 2 362.478 0.866 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671963919 493719619 /nfs/dbraw/zinc/71/96/19/493719619.db2.gz PRDUVAZZPWUEAQ-KRWDZBQOSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671963919 493719620 /nfs/dbraw/zinc/71/96/20/493719620.db2.gz PRDUVAZZPWUEAQ-KRWDZBQOSA-N 2 2 373.501 0.633 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008481 493723542 /nfs/dbraw/zinc/72/35/42/493723542.db2.gz SMRSSPPTXKIRCB-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008481 493723544 /nfs/dbraw/zinc/72/35/44/493723544.db2.gz SMRSSPPTXKIRCB-OWCLPIDISA-N 2 2 368.522 0.401 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000672014085 493724879 /nfs/dbraw/zinc/72/48/79/493724879.db2.gz KCMLRAPODVTRKX-KKUMJFAQSA-N 2 2 354.495 0.058 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc[nH+]2)C1 ZINC000665688892 493730467 /nfs/dbraw/zinc/73/04/67/493730467.db2.gz XGUBWRQAYXGKAZ-ULQDDVLXSA-N 2 2 361.490 0.985 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000665934448 493745424 /nfs/dbraw/zinc/74/54/24/493745424.db2.gz KZICTXAFPGSTLC-HZPDHXFCSA-N 2 2 369.473 0.642 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216410 493750827 /nfs/dbraw/zinc/75/08/27/493750827.db2.gz ZZRNJUCTHDSSQL-SJLPKXTDSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216410 493750828 /nfs/dbraw/zinc/75/08/28/493750828.db2.gz ZZRNJUCTHDSSQL-SJLPKXTDSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681216410 493750829 /nfs/dbraw/zinc/75/08/29/493750829.db2.gz ZZRNJUCTHDSSQL-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681216410 493750830 /nfs/dbraw/zinc/75/08/30/493750830.db2.gz ZZRNJUCTHDSSQL-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216410 493750831 /nfs/dbraw/zinc/75/08/31/493750831.db2.gz ZZRNJUCTHDSSQL-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216410 493750832 /nfs/dbraw/zinc/75/08/32/493750832.db2.gz ZZRNJUCTHDSSQL-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP CN(C(=O)NCc1nnnn1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219540 493752171 /nfs/dbraw/zinc/75/21/71/493752171.db2.gz YQTBAUSFYXIUQG-HNNXBMFYSA-N 2 2 362.482 0.318 20 0 FCADLP CN(C(=O)NCc1nnnn1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219540 493752174 /nfs/dbraw/zinc/75/21/74/493752174.db2.gz YQTBAUSFYXIUQG-HNNXBMFYSA-N 2 2 362.482 0.318 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000935941196 674335104 /nfs/dbraw/zinc/33/51/04/674335104.db2.gz DNGACDKYYZJRDP-CIQAELJKSA-N 2 2 351.491 0.950 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000935941196 674335106 /nfs/dbraw/zinc/33/51/06/674335106.db2.gz DNGACDKYYZJRDP-CIQAELJKSA-N 2 2 351.491 0.950 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000410925216 527772945 /nfs/dbraw/zinc/77/29/45/527772945.db2.gz LRSQUKDRXKLQET-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)CC[N@H+]1CCOC ZINC000410925216 527772947 /nfs/dbraw/zinc/77/29/47/527772947.db2.gz LRSQUKDRXKLQET-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000410925216 527772949 /nfs/dbraw/zinc/77/29/49/527772949.db2.gz LRSQUKDRXKLQET-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[NH+]1CCOC ZINC000410925216 527772951 /nfs/dbraw/zinc/77/29/51/527772951.db2.gz LRSQUKDRXKLQET-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000410719705 527956708 /nfs/dbraw/zinc/95/67/08/527956708.db2.gz ZPVDDTRXEJOMBQ-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410705787 527963385 /nfs/dbraw/zinc/96/33/85/527963385.db2.gz WLPRJNOLAHKVEE-JYJNAYRXSA-N 2 2 368.522 0.231 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410705787 527963388 /nfs/dbraw/zinc/96/33/88/527963388.db2.gz WLPRJNOLAHKVEE-JYJNAYRXSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410705787 527963393 /nfs/dbraw/zinc/96/33/93/527963393.db2.gz WLPRJNOLAHKVEE-JYJNAYRXSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410705787 527963398 /nfs/dbraw/zinc/96/33/98/527963398.db2.gz WLPRJNOLAHKVEE-JYJNAYRXSA-N 2 2 368.522 0.231 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410938135 527990190 /nfs/dbraw/zinc/99/01/90/527990190.db2.gz NFGPXXAJWFJYDX-MRXNPFEDSA-N 2 2 368.522 0.090 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410938135 527990200 /nfs/dbraw/zinc/99/02/00/527990200.db2.gz NFGPXXAJWFJYDX-MRXNPFEDSA-N 2 2 368.522 0.090 20 0 FCADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410766222 528074433 /nfs/dbraw/zinc/07/44/33/528074433.db2.gz IYDLJRCZNDIXEI-QGZVFWFLSA-N 2 2 368.522 0.500 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000410603399 528281864 /nfs/dbraw/zinc/28/18/64/528281864.db2.gz BAZIRBLOPZDRNH-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000410885806 528282210 /nfs/dbraw/zinc/28/22/10/528282210.db2.gz DZUSTXKWFDHCON-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC[N@@H+]1C ZINC000410728962 528713792 /nfs/dbraw/zinc/71/37/92/528713792.db2.gz GSWXANKQFUTEED-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC[N@H+]1C ZINC000410728962 528713796 /nfs/dbraw/zinc/71/37/96/528713796.db2.gz GSWXANKQFUTEED-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000410728962 528713800 /nfs/dbraw/zinc/71/38/00/528713800.db2.gz GSWXANKQFUTEED-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1C ZINC000410728962 528713803 /nfs/dbraw/zinc/71/38/03/528713803.db2.gz GSWXANKQFUTEED-CVEARBPZSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)CC[N@@H+]1C ZINC000410699329 528716218 /nfs/dbraw/zinc/71/62/18/528716218.db2.gz POWZDFVYVCYXRO-ULQDDVLXSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)CC[N@H+]1C ZINC000410699329 528716226 /nfs/dbraw/zinc/71/62/26/528716226.db2.gz POWZDFVYVCYXRO-ULQDDVLXSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)CC[NH+]1C ZINC000410699329 528716232 /nfs/dbraw/zinc/71/62/32/528716232.db2.gz POWZDFVYVCYXRO-ULQDDVLXSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)CC[NH+]1C ZINC000410699329 528716236 /nfs/dbraw/zinc/71/62/36/528716236.db2.gz POWZDFVYVCYXRO-ULQDDVLXSA-N 2 2 350.507 0.870 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000410736796 528729281 /nfs/dbraw/zinc/72/92/81/528729281.db2.gz PLTBECBYEUYPNC-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000410736796 528729286 /nfs/dbraw/zinc/72/92/86/528729286.db2.gz PLTBECBYEUYPNC-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000410694448 528739398 /nfs/dbraw/zinc/73/93/98/528739398.db2.gz CBQWGPVIZGYIEA-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000410694448 528739401 /nfs/dbraw/zinc/73/94/01/528739401.db2.gz CBQWGPVIZGYIEA-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000410694448 528739402 /nfs/dbraw/zinc/73/94/02/528739402.db2.gz CBQWGPVIZGYIEA-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000410694448 528739404 /nfs/dbraw/zinc/73/94/04/528739404.db2.gz CBQWGPVIZGYIEA-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410694448 528739407 /nfs/dbraw/zinc/73/94/07/528739407.db2.gz CBQWGPVIZGYIEA-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000410694448 528739408 /nfs/dbraw/zinc/73/94/08/528739408.db2.gz CBQWGPVIZGYIEA-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410568751 529116415 /nfs/dbraw/zinc/11/64/15/529116415.db2.gz CRHCPODXJPZTHO-MRXNPFEDSA-N 2 2 374.489 0.312 20 0 FCADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613059 529305872 /nfs/dbraw/zinc/30/58/72/529305872.db2.gz CROSPPPGTQTYDS-HOTGVXAUSA-N 2 2 374.489 0.139 20 0 FCADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410613059 529305874 /nfs/dbraw/zinc/30/58/74/529305874.db2.gz CROSPPPGTQTYDS-HOTGVXAUSA-N 2 2 374.489 0.139 20 0 FCADLP CC(C)S(=O)(=O)CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435567919 535087191 /nfs/dbraw/zinc/08/71/91/535087191.db2.gz FLAQTENQEYNONQ-AWEZNQCLSA-N 2 2 368.503 0.714 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000415200151 535479548 /nfs/dbraw/zinc/47/95/48/535479548.db2.gz ZPRBXBLXZYPRCN-OAHLLOKOSA-N 2 2 362.474 0.914 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423058097 535590734 /nfs/dbraw/zinc/59/07/34/535590734.db2.gz IVCQKQNCWFNDMY-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000423558856 535602871 /nfs/dbraw/zinc/60/28/71/535602871.db2.gz LMURRUKZNLEGQF-CABCVRRESA-N 2 2 364.494 0.447 20 0 FCADLP CN(C)c1[nH+]cc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)n1C ZINC000425383922 536158450 /nfs/dbraw/zinc/15/84/50/536158450.db2.gz PRKGZSSFNWIGMX-UHFFFAOYSA-N 2 2 367.475 0.644 20 0 FCADLP CN(C)c1[nH+]cc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)n1C ZINC000425383922 536158452 /nfs/dbraw/zinc/15/84/52/536158452.db2.gz PRKGZSSFNWIGMX-UHFFFAOYSA-N 2 2 367.475 0.644 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)CC1 ZINC000328622737 546513314 /nfs/dbraw/zinc/51/33/14/546513314.db2.gz YKDCJMCMKONLAL-UHFFFAOYSA-N 2 2 351.495 0.276 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000129111193 546567309 /nfs/dbraw/zinc/56/73/09/546567309.db2.gz NLBBJFZSRKFOSC-IKGGRYGDSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000129111193 546567314 /nfs/dbraw/zinc/56/73/14/546567314.db2.gz NLBBJFZSRKFOSC-IKGGRYGDSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000129111193 546567320 /nfs/dbraw/zinc/56/73/20/546567320.db2.gz NLBBJFZSRKFOSC-IKGGRYGDSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000129111193 546567322 /nfs/dbraw/zinc/56/73/22/546567322.db2.gz NLBBJFZSRKFOSC-IKGGRYGDSA-N 2 2 355.527 0.277 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000586876900 546571728 /nfs/dbraw/zinc/57/17/28/546571728.db2.gz LPWAQNMLLFVJFZ-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000586876900 546571733 /nfs/dbraw/zinc/57/17/33/546571733.db2.gz LPWAQNMLLFVJFZ-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371304975 546894049 /nfs/dbraw/zinc/89/40/49/546894049.db2.gz WKGSCZWAUCRUDX-CABCVRRESA-N 2 2 353.511 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371304975 546894050 /nfs/dbraw/zinc/89/40/50/546894050.db2.gz WKGSCZWAUCRUDX-CABCVRRESA-N 2 2 353.511 0.569 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371304978 546894556 /nfs/dbraw/zinc/89/45/56/546894556.db2.gz WKGSCZWAUCRUDX-LSDHHAIUSA-N 2 2 353.511 0.569 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371304978 546894559 /nfs/dbraw/zinc/89/45/59/546894559.db2.gz WKGSCZWAUCRUDX-LSDHHAIUSA-N 2 2 353.511 0.569 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420159499 546909848 /nfs/dbraw/zinc/90/98/48/546909848.db2.gz CVZANAHPCHMBDT-UHFFFAOYSA-N 2 2 362.499 0.818 20 0 FCADLP COC1([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000641788335 546957401 /nfs/dbraw/zinc/95/74/01/546957401.db2.gz YJRXTFSKRGNKLA-MSOLQXFVSA-N 2 2 355.523 0.957 20 0 FCADLP C[NH+](C)Cc1cccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000545913169 547035000 /nfs/dbraw/zinc/03/50/00/547035000.db2.gz ZVOAFHFIWRBBCV-UHFFFAOYSA-N 2 2 355.504 0.890 20 0 FCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049306 547058756 /nfs/dbraw/zinc/05/87/56/547058756.db2.gz QZELSNRKPXDKHV-CRAIPNDOSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049306 547058759 /nfs/dbraw/zinc/05/87/59/547058759.db2.gz QZELSNRKPXDKHV-CRAIPNDOSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000548049306 547058762 /nfs/dbraw/zinc/05/87/62/547058762.db2.gz QZELSNRKPXDKHV-CRAIPNDOSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000548049306 547058766 /nfs/dbraw/zinc/05/87/66/547058766.db2.gz QZELSNRKPXDKHV-CRAIPNDOSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049308 547058825 /nfs/dbraw/zinc/05/88/25/547058825.db2.gz QZELSNRKPXDKHV-QAPCUYQASA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000548049308 547058828 /nfs/dbraw/zinc/05/88/28/547058828.db2.gz QZELSNRKPXDKHV-QAPCUYQASA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000548049308 547058831 /nfs/dbraw/zinc/05/88/31/547058831.db2.gz QZELSNRKPXDKHV-QAPCUYQASA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000548049308 547058835 /nfs/dbraw/zinc/05/88/35/547058835.db2.gz QZELSNRKPXDKHV-QAPCUYQASA-N 2 2 353.507 0.791 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000550352454 547084217 /nfs/dbraw/zinc/08/42/17/547084217.db2.gz CDJYDXUUFHBNCQ-INIZCTEOSA-N 2 2 356.511 0.401 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000550656582 547094039 /nfs/dbraw/zinc/09/40/39/547094039.db2.gz HGKLWXIDOWYMRH-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000550656582 547094044 /nfs/dbraw/zinc/09/40/44/547094044.db2.gz HGKLWXIDOWYMRH-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000551048349 547122240 /nfs/dbraw/zinc/12/22/40/547122240.db2.gz ALBVOEOZCKKYKH-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000551048349 547122242 /nfs/dbraw/zinc/12/22/42/547122242.db2.gz ALBVOEOZCKKYKH-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553024995 547247861 /nfs/dbraw/zinc/24/78/61/547247861.db2.gz PHUZAPPHMDRBMY-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553024995 547247864 /nfs/dbraw/zinc/24/78/64/547247864.db2.gz PHUZAPPHMDRBMY-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC000553369935 547273044 /nfs/dbraw/zinc/27/30/44/547273044.db2.gz HQBWITCNQYCHSG-AWEZNQCLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC000553369935 547273049 /nfs/dbraw/zinc/27/30/49/547273049.db2.gz HQBWITCNQYCHSG-AWEZNQCLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC000553369935 547273052 /nfs/dbraw/zinc/27/30/52/547273052.db2.gz HQBWITCNQYCHSG-AWEZNQCLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000553369935 547273055 /nfs/dbraw/zinc/27/30/55/547273055.db2.gz HQBWITCNQYCHSG-AWEZNQCLSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553619654 547295059 /nfs/dbraw/zinc/29/50/59/547295059.db2.gz ZBAPBCJRJPMGMX-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000431934009 568396275 /nfs/dbraw/zinc/39/62/75/568396275.db2.gz CRCXSHOEFWMXKK-XFSNIEAJSA-N 2 2 366.506 0.927 20 0 FCADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000431934009 568396276 /nfs/dbraw/zinc/39/62/76/568396276.db2.gz CRCXSHOEFWMXKK-XFSNIEAJSA-N 2 2 366.506 0.927 20 0 FCADLP CC(C)(C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCCCC1 ZINC000735670682 598517260 /nfs/dbraw/zinc/51/72/60/598517260.db2.gz ULPRECOGMZPOIG-CYBMUJFWSA-N 2 2 359.482 0.959 20 0 FCADLP C[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736275324 598527367 /nfs/dbraw/zinc/52/73/67/598527367.db2.gz BVMXHQNTFDRKFG-KBPBESRZSA-N 2 2 359.482 0.815 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCCC(=O)[O-] ZINC000830924032 601156528 /nfs/dbraw/zinc/15/65/28/601156528.db2.gz ZHUBNXHXXVVZCY-UHFFFAOYSA-N 2 2 368.522 0.705 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCCC(=O)[O-] ZINC000830924032 601156530 /nfs/dbraw/zinc/15/65/30/601156530.db2.gz ZHUBNXHXXVVZCY-UHFFFAOYSA-N 2 2 368.522 0.705 20 0 FCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625671 607073750 /nfs/dbraw/zinc/07/37/50/607073750.db2.gz UATMLHNZZOQKCG-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625671 607073752 /nfs/dbraw/zinc/07/37/52/607073752.db2.gz UATMLHNZZOQKCG-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625671 607073754 /nfs/dbraw/zinc/07/37/54/607073754.db2.gz UATMLHNZZOQKCG-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625671 607073756 /nfs/dbraw/zinc/07/37/56/607073756.db2.gz UATMLHNZZOQKCG-IRXDYDNUSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824992333 608171100 /nfs/dbraw/zinc/17/11/00/608171100.db2.gz MFFKHTGZBCTWQM-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824992333 608171102 /nfs/dbraw/zinc/17/11/02/608171102.db2.gz MFFKHTGZBCTWQM-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C[C@@H]4CCCO4)C3=O)C2)CC1 ZINC000924633267 665856520 /nfs/dbraw/zinc/85/65/20/665856520.db2.gz HPSINDRJKYTVBY-HRCADAONSA-N 2 2 350.463 0.644 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C[C@@H]4CCCO4)C3=O)C2)CC1 ZINC000924633267 665856522 /nfs/dbraw/zinc/85/65/22/665856522.db2.gz HPSINDRJKYTVBY-HRCADAONSA-N 2 2 350.463 0.644 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)CCO1 ZINC000891471105 663408222 /nfs/dbraw/zinc/40/82/22/663408222.db2.gz GYGHGFDHQAMMNA-UHFFFAOYSA-N 2 2 353.492 0.780 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)CCO1 ZINC000891471105 663408223 /nfs/dbraw/zinc/40/82/23/663408223.db2.gz GYGHGFDHQAMMNA-UHFFFAOYSA-N 2 2 353.492 0.780 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891537640 663412829 /nfs/dbraw/zinc/41/28/29/663412829.db2.gz MFCHRFIPJFWERP-CQSZACIVSA-N 2 2 360.524 0.408 20 0 FCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000891536696 663412975 /nfs/dbraw/zinc/41/29/75/663412975.db2.gz GGHZRTGZPXUCAB-OAHLLOKOSA-N 2 2 374.551 0.573 20 0 FCADLP CCOc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022276569 663429277 /nfs/dbraw/zinc/42/92/77/663429277.db2.gz NILQHZNVSLADNY-FVCCEPFGSA-N 2 2 369.491 0.393 20 0 FCADLP CCOc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022276569 663429279 /nfs/dbraw/zinc/42/92/79/663429279.db2.gz NILQHZNVSLADNY-FVCCEPFGSA-N 2 2 369.491 0.393 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001022474109 663455269 /nfs/dbraw/zinc/45/52/69/663455269.db2.gz XSTQHNARAXCTPK-XDNAFOTISA-N 2 2 351.491 0.903 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023451531 663628600 /nfs/dbraw/zinc/62/86/00/663628600.db2.gz OYAKLSSTXBLTDC-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023451531 663628602 /nfs/dbraw/zinc/62/86/02/663628602.db2.gz OYAKLSSTXBLTDC-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023451531 663628604 /nfs/dbraw/zinc/62/86/04/663628604.db2.gz OYAKLSSTXBLTDC-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023451531 663628607 /nfs/dbraw/zinc/62/86/07/663628607.db2.gz OYAKLSSTXBLTDC-VHDGCEQUSA-N 2 2 351.451 0.425 20 0 FCADLP O=C(NC[C@H]1CCCCC[NH2+]1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000904360706 665987512 /nfs/dbraw/zinc/98/75/12/665987512.db2.gz OMSSPZZRFNOMFJ-OAHLLOKOSA-N 2 2 350.467 0.869 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766774 664140169 /nfs/dbraw/zinc/14/01/69/664140169.db2.gz OFDXYGMQTHJBSG-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CCOCC1 ZINC000892837528 664148983 /nfs/dbraw/zinc/14/89/83/664148983.db2.gz CTOUOGCLXLAOCL-HZMVEIRTSA-N 2 2 354.495 0.336 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3nncs3)CC2)O1 ZINC001026514359 664239550 /nfs/dbraw/zinc/23/95/50/664239550.db2.gz BLEWPEPEEUVKNI-BLYZHGLHSA-N 2 2 353.492 0.774 20 0 FCADLP C[C@]1(Br)C[C@@H]1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000893355451 664249232 /nfs/dbraw/zinc/24/92/32/664249232.db2.gz ZILRXJLOMGXWSE-NFAWXSAZSA-N 2 2 360.296 0.683 20 0 FCADLP CCc1cnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916571 664277313 /nfs/dbraw/zinc/27/73/13/664277313.db2.gz KLFCWPHSYZOHLQ-IIAWOOMASA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916571 664277317 /nfs/dbraw/zinc/27/73/17/664277317.db2.gz KLFCWPHSYZOHLQ-IIAWOOMASA-N 2 2 350.463 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnn(C)n2)O1 ZINC000960048247 674614534 /nfs/dbraw/zinc/61/45/34/674614534.db2.gz UGQBOBKFGHQRQB-VNQPRFMTSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnn(C)n2)O1 ZINC000960048247 674614537 /nfs/dbraw/zinc/61/45/37/674614537.db2.gz UGQBOBKFGHQRQB-VNQPRFMTSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001027965874 664479518 /nfs/dbraw/zinc/47/95/18/664479518.db2.gz HFVAIYFRXLODJR-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001027965874 664479520 /nfs/dbraw/zinc/47/95/20/664479520.db2.gz HFVAIYFRXLODJR-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCn2cc(Cl)cn2)O1 ZINC001027965874 664479522 /nfs/dbraw/zinc/47/95/22/664479522.db2.gz HFVAIYFRXLODJR-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCn2cc(Cl)cn2)O1 ZINC001027965874 664479524 /nfs/dbraw/zinc/47/95/24/664479524.db2.gz HFVAIYFRXLODJR-VNQPRFMTSA-N 2 2 369.897 0.836 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+]1CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043087 664816426 /nfs/dbraw/zinc/81/64/26/664816426.db2.gz GENYIVWZLSATCR-BBWFWOEESA-N 2 2 357.470 0.806 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028043087 664816434 /nfs/dbraw/zinc/81/64/34/664816434.db2.gz GENYIVWZLSATCR-BBWFWOEESA-N 2 2 357.470 0.806 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC3CCCC3)CC2)CC[N@@H+]1C ZINC000981194253 664817093 /nfs/dbraw/zinc/81/70/93/664817093.db2.gz OMQRMZQKMVJUFO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)NC3CCCC3)CC2)CC[N@H+]1C ZINC000981194253 664817097 /nfs/dbraw/zinc/81/70/97/664817097.db2.gz OMQRMZQKMVJUFO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)NC3CCCC3)CC2)CC[NH+]1C ZINC000981194253 664817100 /nfs/dbraw/zinc/81/71/00/664817100.db2.gz OMQRMZQKMVJUFO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)NC3CCCC3)CC2)CC[NH+]1C ZINC000981194253 664817102 /nfs/dbraw/zinc/81/71/02/664817102.db2.gz OMQRMZQKMVJUFO-NVXWUHKLSA-N 2 2 350.507 0.920 20 0 FCADLP CCc1nocc1C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435456 664826972 /nfs/dbraw/zinc/82/69/72/664826972.db2.gz JSQCMDYTWZTDFN-RHSMWYFYSA-N 2 2 350.463 0.990 20 0 FCADLP CCc1nocc1C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435456 664826977 /nfs/dbraw/zinc/82/69/77/664826977.db2.gz JSQCMDYTWZTDFN-RHSMWYFYSA-N 2 2 350.463 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981435456 664826981 /nfs/dbraw/zinc/82/69/81/664826981.db2.gz JSQCMDYTWZTDFN-RHSMWYFYSA-N 2 2 350.463 0.990 20 0 FCADLP CCc1nocc1C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981435456 664826985 /nfs/dbraw/zinc/82/69/85/664826985.db2.gz JSQCMDYTWZTDFN-RHSMWYFYSA-N 2 2 350.463 0.990 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCO[C@@H]3CC3(F)F)CC2)O1 ZINC000981439546 664827488 /nfs/dbraw/zinc/82/74/88/664827488.db2.gz DWROCPYJDXRPNO-RBSFLKMASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCO[C@@H]3CC3(F)F)CC2)O1 ZINC000981439546 664827490 /nfs/dbraw/zinc/82/74/90/664827490.db2.gz DWROCPYJDXRPNO-RBSFLKMASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCO[C@@H]3CC3(F)F)CC2)O1 ZINC000981439546 664827493 /nfs/dbraw/zinc/82/74/93/664827493.db2.gz DWROCPYJDXRPNO-RBSFLKMASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCO[C@@H]3CC3(F)F)CC2)O1 ZINC000981439546 664827497 /nfs/dbraw/zinc/82/74/97/664827497.db2.gz DWROCPYJDXRPNO-RBSFLKMASA-N 2 2 361.433 0.664 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001028550128 664901761 /nfs/dbraw/zinc/90/17/61/664901761.db2.gz HXOHXROIRQOGCK-HZSPNIEDSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001028550128 664901762 /nfs/dbraw/zinc/90/17/62/664901762.db2.gz HXOHXROIRQOGCK-HZSPNIEDSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550128 664901764 /nfs/dbraw/zinc/90/17/64/664901764.db2.gz HXOHXROIRQOGCK-HZSPNIEDSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001028550128 664901765 /nfs/dbraw/zinc/90/17/65/664901765.db2.gz HXOHXROIRQOGCK-HZSPNIEDSA-N 2 2 350.467 0.414 20 0 FCADLP CCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629796 664930739 /nfs/dbraw/zinc/93/07/39/664930739.db2.gz SUDXYXAPHUZHHJ-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001028629796 664930740 /nfs/dbraw/zinc/93/07/40/664930740.db2.gz SUDXYXAPHUZHHJ-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629796 664930743 /nfs/dbraw/zinc/93/07/43/664930743.db2.gz SUDXYXAPHUZHHJ-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001028629796 664930744 /nfs/dbraw/zinc/93/07/44/664930744.db2.gz SUDXYXAPHUZHHJ-HZSPNIEDSA-N 2 2 351.451 0.289 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709280 664944413 /nfs/dbraw/zinc/94/44/13/664944413.db2.gz IKADVGAHYSOJAJ-KSZLIROESA-N 2 2 351.491 0.714 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001028709280 664944414 /nfs/dbraw/zinc/94/44/14/664944414.db2.gz IKADVGAHYSOJAJ-KSZLIROESA-N 2 2 351.491 0.714 20 0 FCADLP CC(C)NC(=O)CNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000727278423 665030833 /nfs/dbraw/zinc/03/08/33/665030833.db2.gz VDSGPGLYTRLBKJ-UHFFFAOYSA-N 2 2 355.552 0.534 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000896367544 665082374 /nfs/dbraw/zinc/08/23/74/665082374.db2.gz UNWXIIVGZYZEGY-GOEBONIOSA-N 2 2 352.479 0.892 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000896367544 665082376 /nfs/dbraw/zinc/08/23/76/665082376.db2.gz UNWXIIVGZYZEGY-GOEBONIOSA-N 2 2 352.479 0.892 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CONC(=O)OC(C)(C)C)C2)CC1 ZINC000906661168 666062971 /nfs/dbraw/zinc/06/29/71/666062971.db2.gz OHYLPGPDTZRORZ-ZDUSSCGKSA-N 2 2 356.467 0.727 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CONC(=O)OC(C)(C)C)C2)CC1 ZINC000906661168 666062973 /nfs/dbraw/zinc/06/29/73/666062973.db2.gz OHYLPGPDTZRORZ-ZDUSSCGKSA-N 2 2 356.467 0.727 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000907519132 666141614 /nfs/dbraw/zinc/14/16/14/666141614.db2.gz OVCOYTNOUVGTDE-VYMRPNJYSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000907519132 666141615 /nfs/dbraw/zinc/14/16/15/666141615.db2.gz OVCOYTNOUVGTDE-VYMRPNJYSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000913117167 666501013 /nfs/dbraw/zinc/50/10/13/666501013.db2.gz YWXBXIJDHCSZSZ-QZTJIDSGSA-N 2 2 352.523 0.462 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000069376377 666507251 /nfs/dbraw/zinc/50/72/51/666507251.db2.gz MYLJJRHOJVQAJB-UHFFFAOYSA-N 2 2 360.524 0.281 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000069475326 666514121 /nfs/dbraw/zinc/51/41/21/666514121.db2.gz XTBZTJCJIDWKBV-UHFFFAOYSA-N 2 2 372.535 0.233 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000731760796 666838631 /nfs/dbraw/zinc/83/86/31/666838631.db2.gz ANCFQBFFNMSTCF-INIZCTEOSA-N 2 2 372.535 0.375 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993608124 666921051 /nfs/dbraw/zinc/92/10/51/666921051.db2.gz UPWYUSODOGZZOC-IJLUTSLNSA-N 2 2 355.389 0.048 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NC(=O)C(F)F ZINC000993608124 666921053 /nfs/dbraw/zinc/92/10/53/666921053.db2.gz UPWYUSODOGZZOC-IJLUTSLNSA-N 2 2 355.389 0.048 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000996685614 666958152 /nfs/dbraw/zinc/95/81/52/666958152.db2.gz SXIDWDRQNVGAHM-NWANDNLSSA-N 2 2 366.487 0.529 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000996685614 666958156 /nfs/dbraw/zinc/95/81/56/666958156.db2.gz SXIDWDRQNVGAHM-NWANDNLSSA-N 2 2 366.487 0.529 20 0 FCADLP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996711674 666963073 /nfs/dbraw/zinc/96/30/73/666963073.db2.gz KGLGPDNQNSLWJD-TZMCWYRMSA-N 2 2 351.451 0.432 20 0 FCADLP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC000996711674 666963074 /nfs/dbraw/zinc/96/30/74/666963074.db2.gz KGLGPDNQNSLWJD-TZMCWYRMSA-N 2 2 351.451 0.432 20 0 FCADLP CCOC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905982 667140309 /nfs/dbraw/zinc/14/03/09/667140309.db2.gz KLHGZDIMZNLDDJ-CABCVRRESA-N 2 2 352.479 0.750 20 0 FCADLP CCOC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905982 667140311 /nfs/dbraw/zinc/14/03/11/667140311.db2.gz KLHGZDIMZNLDDJ-CABCVRRESA-N 2 2 352.479 0.750 20 0 FCADLP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000997855081 667177988 /nfs/dbraw/zinc/17/79/88/667177988.db2.gz KITJUCQKYHCEAM-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000997855081 667177991 /nfs/dbraw/zinc/17/79/91/667177991.db2.gz KITJUCQKYHCEAM-IUODEOHRSA-N 2 2 351.451 0.425 20 0 FCADLP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984221 667225081 /nfs/dbraw/zinc/22/50/81/667225081.db2.gz QWFBQFNQQFDCKT-BLYZHGLHSA-N 2 2 351.451 0.430 20 0 FCADLP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998984221 667225085 /nfs/dbraw/zinc/22/50/85/667225085.db2.gz QWFBQFNQQFDCKT-BLYZHGLHSA-N 2 2 351.451 0.430 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC([NH2+]CC2CC2)C1 ZINC000999160369 667229216 /nfs/dbraw/zinc/22/92/16/667229216.db2.gz JILINRGOFBEXAH-HIEASXQVSA-N 2 2 351.491 0.855 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999492436 667241509 /nfs/dbraw/zinc/24/15/09/667241509.db2.gz BANNQVNTCIBQHE-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999492436 667241514 /nfs/dbraw/zinc/24/15/14/667241514.db2.gz BANNQVNTCIBQHE-MRVWCRGKSA-N 2 2 353.492 0.646 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCn3cc(Cl)cn3)CC2)O1 ZINC001003137321 667598559 /nfs/dbraw/zinc/59/85/59/667598559.db2.gz ITSLCKJACFLWAQ-CZUORRHYSA-N 2 2 369.897 0.836 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CCn3cc(Cl)cn3)CC2)O1 ZINC001003137321 667598560 /nfs/dbraw/zinc/59/85/60/667598560.db2.gz ITSLCKJACFLWAQ-CZUORRHYSA-N 2 2 369.897 0.836 20 0 FCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001003357477 667606687 /nfs/dbraw/zinc/60/66/87/667606687.db2.gz ZYSIVQUIRQOSRF-MSOLQXFVSA-N 2 2 351.491 0.857 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000922203886 667616350 /nfs/dbraw/zinc/61/63/50/667616350.db2.gz XUXZRJLGJHMTNY-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000922203886 667616353 /nfs/dbraw/zinc/61/63/53/667616353.db2.gz XUXZRJLGJHMTNY-DLBZAZTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000922203889 667616417 /nfs/dbraw/zinc/61/64/17/667616417.db2.gz XUXZRJLGJHMTNY-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000922203889 667616420 /nfs/dbraw/zinc/61/64/20/667616420.db2.gz XUXZRJLGJHMTNY-SJORKVTESA-N 2 2 356.511 0.897 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033288482 667727176 /nfs/dbraw/zinc/72/71/76/667727176.db2.gz BWBWILDSOLIQRC-KURKYZTESA-N 2 2 351.491 0.809 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033288482 667727178 /nfs/dbraw/zinc/72/71/78/667727178.db2.gz BWBWILDSOLIQRC-KURKYZTESA-N 2 2 351.491 0.809 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001034999736 667773712 /nfs/dbraw/zinc/77/37/12/667773712.db2.gz NORVDGYLSVSDDT-KURKYZTESA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@H+](C)CC(F)F)CC2)CC1=O ZINC000074128989 667800724 /nfs/dbraw/zinc/80/07/24/667800724.db2.gz MASGGSXXJBICFX-CYBMUJFWSA-N 2 2 360.449 0.584 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CC1=O ZINC000074128989 667800730 /nfs/dbraw/zinc/80/07/30/667800730.db2.gz MASGGSXXJBICFX-CYBMUJFWSA-N 2 2 360.449 0.584 20 0 FCADLP C[NH+]1CCC(CNC(=S)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000760484427 667851202 /nfs/dbraw/zinc/85/12/02/667851202.db2.gz JTPHQXAMCPWRDC-INIZCTEOSA-N 3 2 353.580 0.961 20 0 FCADLP C[NH+]1CCC(CNC(=S)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000760484427 667851207 /nfs/dbraw/zinc/85/12/07/667851207.db2.gz JTPHQXAMCPWRDC-INIZCTEOSA-N 3 2 353.580 0.961 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742608582 668038562 /nfs/dbraw/zinc/03/85/62/668038562.db2.gz FTQZBEZSWZSHJP-QWHCGFSZSA-N 2 2 355.508 0.417 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742608582 668038564 /nfs/dbraw/zinc/03/85/64/668038564.db2.gz FTQZBEZSWZSHJP-QWHCGFSZSA-N 2 2 355.508 0.417 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511553 668153936 /nfs/dbraw/zinc/15/39/36/668153936.db2.gz TUUAEAQOAWSZNZ-HOCLYGCPSA-N 2 2 350.463 0.080 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC=CO3)C2)CC1 ZINC000805511553 668153938 /nfs/dbraw/zinc/15/39/38/668153938.db2.gz TUUAEAQOAWSZNZ-HOCLYGCPSA-N 2 2 350.463 0.080 20 0 FCADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982312 668402475 /nfs/dbraw/zinc/40/24/75/668402475.db2.gz KLVFPSCGNHJMPO-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982312 668402476 /nfs/dbraw/zinc/40/24/76/668402476.db2.gz KLVFPSCGNHJMPO-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000779035307 668404176 /nfs/dbraw/zinc/40/41/76/668404176.db2.gz DSXICSDBHUAQQB-LSDHHAIUSA-N 2 2 354.495 0.996 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372874 668875759 /nfs/dbraw/zinc/87/57/59/668875759.db2.gz UJRVELZCBXPKTE-QAPCUYQASA-N 2 2 350.463 0.709 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790372874 668875761 /nfs/dbraw/zinc/87/57/61/668875761.db2.gz UJRVELZCBXPKTE-QAPCUYQASA-N 2 2 350.463 0.709 20 0 FCADLP CS(=O)(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819040412 668973147 /nfs/dbraw/zinc/97/31/47/668973147.db2.gz KLUOOQNQRYVYBL-MRXNPFEDSA-N 2 2 353.488 0.518 20 0 FCADLP CS(=O)(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819040412 668973149 /nfs/dbraw/zinc/97/31/49/668973149.db2.gz KLUOOQNQRYVYBL-MRXNPFEDSA-N 2 2 353.488 0.518 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000820739196 669120662 /nfs/dbraw/zinc/12/06/62/669120662.db2.gz HJZJQSJKLDCTPZ-AWEZNQCLSA-N 2 2 354.495 0.996 20 0 FCADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000820739196 669120666 /nfs/dbraw/zinc/12/06/66/669120666.db2.gz HJZJQSJKLDCTPZ-AWEZNQCLSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC[NH2+]CC1 ZINC000829116666 669684385 /nfs/dbraw/zinc/68/43/85/669684385.db2.gz UKQZUEXGKRCRPL-AWEZNQCLSA-N 2 2 359.536 0.637 20 0 FCADLP CC(C)(C)OC(=O)NC1(CO)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000829259048 669692868 /nfs/dbraw/zinc/69/28/68/669692868.db2.gz OTGRWOKQXNTWBG-OAHLLOKOSA-N 2 2 357.495 0.795 20 0 FCADLP CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)C1 ZINC000964487968 675065932 /nfs/dbraw/zinc/06/59/32/675065932.db2.gz RPLYKHDCTFECDI-VIIJNVHASA-N 2 2 351.491 0.903 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCNC(=O)OC)CC2)CC1 ZINC000817785908 670032482 /nfs/dbraw/zinc/03/24/82/670032482.db2.gz PCOYBQOYEQPYRE-UHFFFAOYSA-N 2 2 355.483 0.544 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCNC(=O)OC)CC2)CC1 ZINC000817785908 670032486 /nfs/dbraw/zinc/03/24/86/670032486.db2.gz PCOYBQOYEQPYRE-UHFFFAOYSA-N 2 2 355.483 0.544 20 0 FCADLP COCCOCC[NH+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000844595581 670930730 /nfs/dbraw/zinc/93/07/30/670930730.db2.gz BGVUEWFYGKSKHA-UHFFFAOYSA-N 2 2 360.568 0.729 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000845021552 670959631 /nfs/dbraw/zinc/95/96/31/670959631.db2.gz KQFWBKGJDIFTJY-SJORKVTESA-N 2 2 356.511 0.849 20 0 FCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845933549 671053402 /nfs/dbraw/zinc/05/34/02/671053402.db2.gz IHIJEPYGXVLBCQ-CQSZACIVSA-N 2 2 353.467 0.924 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912060 671157656 /nfs/dbraw/zinc/15/76/56/671157656.db2.gz VKGPAMYWIAZSFU-STQMWFEESA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912060 671157658 /nfs/dbraw/zinc/15/76/58/671157658.db2.gz VKGPAMYWIAZSFU-STQMWFEESA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912060 671157662 /nfs/dbraw/zinc/15/76/62/671157662.db2.gz VKGPAMYWIAZSFU-STQMWFEESA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846912060 671157664 /nfs/dbraw/zinc/15/76/64/671157664.db2.gz VKGPAMYWIAZSFU-STQMWFEESA-N 2 2 355.401 0.316 20 0 FCADLP O=C1OCCN1[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852435857 671507212 /nfs/dbraw/zinc/50/72/12/671507212.db2.gz CGIAIGQNLFTWOT-GASCZTMLSA-N 2 2 352.435 0.430 20 0 FCADLP O=C1OCCN1[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852435857 671507215 /nfs/dbraw/zinc/50/72/15/671507215.db2.gz CGIAIGQNLFTWOT-GASCZTMLSA-N 2 2 352.435 0.430 20 0 FCADLP O=C1OCCN1[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852435857 671507220 /nfs/dbraw/zinc/50/72/20/671507220.db2.gz CGIAIGQNLFTWOT-GASCZTMLSA-N 2 2 352.435 0.430 20 0 FCADLP O=C1OCCN1[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852435857 671507224 /nfs/dbraw/zinc/50/72/24/671507224.db2.gz CGIAIGQNLFTWOT-GASCZTMLSA-N 2 2 352.435 0.430 20 0 FCADLP Cc1cn2c(nc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc2=O)s1 ZINC000903450482 675930815 /nfs/dbraw/zinc/93/08/15/675930815.db2.gz XCGUHKFLYDNOSS-CQSZACIVSA-N 2 2 363.487 0.884 20 0 FCADLP Cc1cn2c(nc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc2=O)s1 ZINC000903450482 675930816 /nfs/dbraw/zinc/93/08/16/675930816.db2.gz XCGUHKFLYDNOSS-CQSZACIVSA-N 2 2 363.487 0.884 20 0 FCADLP C[N@@H+]1CCCC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000858208450 671753083 /nfs/dbraw/zinc/75/30/83/671753083.db2.gz DJIYQRXTRIYYAH-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP C[N@H+]1CCCC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000858208450 671753086 /nfs/dbraw/zinc/75/30/86/671753086.db2.gz 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C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC000988563974 1192294946 /nfs/dbraw/zinc/29/49/46/1192294946.db2.gz MKXGAHXOUCCMHW-NVXWUHKLSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC000988563974 1192294957 /nfs/dbraw/zinc/29/49/57/1192294957.db2.gz MKXGAHXOUCCMHW-NVXWUHKLSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000121571581 1168882621 /nfs/dbraw/zinc/88/26/21/1168882621.db2.gz OJUBYCRMHZWVKS-CVEARBPZSA-N 2 2 373.505 0.523 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000121571581 1168882624 /nfs/dbraw/zinc/88/26/24/1168882624.db2.gz OJUBYCRMHZWVKS-CVEARBPZSA-N 2 2 373.505 0.523 20 0 FCADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212020445 1192335498 /nfs/dbraw/zinc/33/54/98/1192335498.db2.gz HTTKSGXRDRTSOC-GWCFXTLKSA-N 2 2 369.385 0.302 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCN3CCNC3=O)CC2)CC1 ZINC000891067343 1169159608 /nfs/dbraw/zinc/15/96/08/1169159608.db2.gz JAJZZGZQKLIZRO-UHFFFAOYSA-N 2 2 366.510 0.213 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCN3CCNC3=O)CC2)CC1 ZINC000891067343 1169159615 /nfs/dbraw/zinc/15/96/15/1169159615.db2.gz JAJZZGZQKLIZRO-UHFFFAOYSA-N 2 2 366.510 0.213 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnnn1C ZINC001021384944 1169191488 /nfs/dbraw/zinc/19/14/88/1169191488.db2.gz HVJMXSYLCYOWFE-KGJWKZNZSA-N 2 2 369.473 0.964 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnnn1C ZINC001021384944 1169191494 /nfs/dbraw/zinc/19/14/94/1169191494.db2.gz HVJMXSYLCYOWFE-KGJWKZNZSA-N 2 2 369.473 0.964 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489700 1169466636 /nfs/dbraw/zinc/46/66/36/1169466636.db2.gz CPNARYQWQLDNOK-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021489700 1169466640 /nfs/dbraw/zinc/46/66/40/1169466640.db2.gz CPNARYQWQLDNOK-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H](CC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21)n1cc[nH+]c1 ZINC001083209335 1169853241 /nfs/dbraw/zinc/85/32/41/1169853241.db2.gz BIDGMNICRFZFQP-YESZJQIVSA-N 2 2 358.446 0.643 20 0 FCADLP C[C@@H](CC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21)n1cc[nH+]c1 ZINC001083209335 1169853244 /nfs/dbraw/zinc/85/32/44/1169853244.db2.gz BIDGMNICRFZFQP-YESZJQIVSA-N 2 2 358.446 0.643 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001021643281 1169860331 /nfs/dbraw/zinc/86/03/31/1169860331.db2.gz QWIRCPCAIVXREL-HRCADAONSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001021643281 1169860333 /nfs/dbraw/zinc/86/03/33/1169860333.db2.gz QWIRCPCAIVXREL-HRCADAONSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]21 ZINC001021709998 1169911947 /nfs/dbraw/zinc/91/19/47/1169911947.db2.gz XFHOFZPOSDUUIJ-XYJFISCASA-N 2 2 371.485 0.601 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021751775 1169978916 /nfs/dbraw/zinc/97/89/16/1169978916.db2.gz KXJWLAMGDMILQE-BHYGNILZSA-N 2 2 357.458 0.353 20 0 FCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141283 1170007960 /nfs/dbraw/zinc/00/79/60/1170007960.db2.gz HJSQOVXIIRFGQX-JLSDUUJJSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141283 1170007966 /nfs/dbraw/zinc/00/79/66/1170007966.db2.gz HJSQOVXIIRFGQX-JLSDUUJJSA-N 2 2 363.506 0.776 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141455 1170009961 /nfs/dbraw/zinc/00/99/61/1170009961.db2.gz MUKLVTRZHNHMET-OWCLPIDISA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141455 1170009962 /nfs/dbraw/zinc/00/99/62/1170009962.db2.gz MUKLVTRZHNHMET-OWCLPIDISA-N 2 2 364.494 0.345 20 0 FCADLP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345611 1170127033 /nfs/dbraw/zinc/12/70/33/1170127033.db2.gz KJFPLEGTVADNFE-GKLJAUDBSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345611 1170127042 /nfs/dbraw/zinc/12/70/42/1170127042.db2.gz KJFPLEGTVADNFE-GKLJAUDBSA-N 2 2 365.478 0.671 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022036107 1170444065 /nfs/dbraw/zinc/44/40/65/1170444065.db2.gz IIYYYBDDDDOFHL-WMLDXEAASA-N 2 2 368.441 0.717 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022037761 1170459742 /nfs/dbraw/zinc/45/97/42/1170459742.db2.gz CUAPCOZBCCBOHV-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022037761 1170459748 /nfs/dbraw/zinc/45/97/48/1170459748.db2.gz CUAPCOZBCCBOHV-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001022039307 1170462510 /nfs/dbraw/zinc/46/25/10/1170462510.db2.gz OWUCQYOOKILUKV-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001022039307 1170462511 /nfs/dbraw/zinc/46/25/11/1170462511.db2.gz OWUCQYOOKILUKV-JKSUJKDBSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000076318248 1170475809 /nfs/dbraw/zinc/47/58/09/1170475809.db2.gz WPAUVBHNBAEHSJ-AWEZNQCLSA-N 2 2 354.414 0.867 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000076318248 1170475812 /nfs/dbraw/zinc/47/58/12/1170475812.db2.gz WPAUVBHNBAEHSJ-AWEZNQCLSA-N 2 2 354.414 0.867 20 0 FCADLP 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C[C@@H](CC(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)n1cc[nH+]c1 ZINC001022219352 1170767932 /nfs/dbraw/zinc/76/79/32/1170767932.db2.gz RSUPNMSEPQAOEM-YESZJQIVSA-N 2 2 371.485 0.989 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)[NH+](C)C ZINC001022251801 1170805202 /nfs/dbraw/zinc/80/52/02/1170805202.db2.gz RXWPHCAMHSIDRO-JZXOWHBKSA-N 2 2 361.490 0.919 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691104815 1170808416 /nfs/dbraw/zinc/80/84/16/1170808416.db2.gz GQWMFBZNFRNBMN-TWMKSMIVSA-N 2 2 357.470 0.710 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@H+](C)CC2)C[C@H](C)O1 ZINC000891698821 1170825474 /nfs/dbraw/zinc/82/54/74/1170825474.db2.gz KXZUAKWPHCQIJN-IRXDYDNUSA-N 2 2 369.554 0.763 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000891698821 1170825476 /nfs/dbraw/zinc/82/54/76/1170825476.db2.gz KXZUAKWPHCQIJN-IRXDYDNUSA-N 2 2 369.554 0.763 20 0 FCADLP 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C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C[NH2+]CCn2cncn2)C1 ZINC001691360779 1171202325 /nfs/dbraw/zinc/20/23/25/1171202325.db2.gz LRPXKEORABXNDX-IKGGRYGDSA-N 2 2 371.489 0.954 20 0 FCADLP COCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001691421789 1171290096 /nfs/dbraw/zinc/29/00/96/1171290096.db2.gz OGDVMSOWLWCTME-CHWSQXEVSA-N 2 2 360.418 0.072 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000891970844 1171355929 /nfs/dbraw/zinc/35/59/29/1171355929.db2.gz PQPQMDFEWIBQMP-UHFFFAOYSA-N 2 2 373.501 0.508 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022524609 1171364862 /nfs/dbraw/zinc/36/48/62/1171364862.db2.gz YXALDTLKPUHCGH-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022524609 1171364872 /nfs/dbraw/zinc/36/48/72/1171364872.db2.gz YXALDTLKPUHCGH-ARFHVFGLSA-N 2 2 359.474 0.886 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)[NH+](C)C ZINC000971960039 1171462637 /nfs/dbraw/zinc/46/26/37/1171462637.db2.gz IGXPVRXQFSOBDJ-IIDMSEBBSA-N 2 2 361.490 0.988 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971963366 1171465313 /nfs/dbraw/zinc/46/53/13/1171465313.db2.gz DHQQNKMSKLHHRO-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971963366 1171465314 /nfs/dbraw/zinc/46/53/14/1171465314.db2.gz DHQQNKMSKLHHRO-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971965821 1171467467 /nfs/dbraw/zinc/46/74/67/1171467467.db2.gz GXOYTKBGRSTSKR-HUUCEWRRSA-N 2 2 356.430 0.607 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1 ZINC000988773902 1192465723 /nfs/dbraw/zinc/46/57/23/1192465723.db2.gz AGPUEYHXSHPSJB-IKGGRYGDSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1 ZINC000988773902 1192465729 /nfs/dbraw/zinc/46/57/29/1192465729.db2.gz AGPUEYHXSHPSJB-IKGGRYGDSA-N 2 2 361.490 0.967 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235156 1171510391 /nfs/dbraw/zinc/51/03/91/1171510391.db2.gz PQFSYALBPHWOII-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235156 1171510402 /nfs/dbraw/zinc/51/04/02/1171510402.db2.gz PQFSYALBPHWOII-FHLIZLRMSA-N 2 2 371.441 0.827 20 0 FCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262048763 1171661953 /nfs/dbraw/zinc/66/19/53/1171661953.db2.gz ZIYXFHULXUIMKZ-CQSZACIVSA-N 2 2 356.426 0.179 20 0 FCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262048763 1171661955 /nfs/dbraw/zinc/66/19/55/1171661955.db2.gz ZIYXFHULXUIMKZ-CQSZACIVSA-N 2 2 356.426 0.179 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000892183922 1171698714 /nfs/dbraw/zinc/69/87/14/1171698714.db2.gz MXGFTVDYZOSILV-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000892183922 1171698723 /nfs/dbraw/zinc/69/87/23/1171698723.db2.gz MXGFTVDYZOSILV-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001022717693 1171808607 /nfs/dbraw/zinc/80/86/07/1171808607.db2.gz ILKIHGWCPQPRQT-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001022717693 1171808608 /nfs/dbraw/zinc/80/86/08/1171808608.db2.gz ILKIHGWCPQPRQT-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001022717890 1171809337 /nfs/dbraw/zinc/80/93/37/1171809337.db2.gz NXADKGOEVMGEFV-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001022717890 1171809343 /nfs/dbraw/zinc/80/93/43/1171809343.db2.gz NXADKGOEVMGEFV-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000972254636 1171890112 /nfs/dbraw/zinc/89/01/12/1171890112.db2.gz YUEXQISCNUELQT-HUUCEWRRSA-N 2 2 356.430 0.607 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000972310477 1171952763 /nfs/dbraw/zinc/95/27/63/1171952763.db2.gz CDRINQILRPKTAX-BZUAXINKSA-N 2 2 357.458 0.353 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249404 1172022514 /nfs/dbraw/zinc/02/25/14/1172022514.db2.gz COLHEQSEBCBAFG-DLBZAZTESA-N 2 2 359.474 0.236 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249404 1172022522 /nfs/dbraw/zinc/02/25/22/1172022522.db2.gz COLHEQSEBCBAFG-DLBZAZTESA-N 2 2 359.474 0.236 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972378652 1172034765 /nfs/dbraw/zinc/03/47/65/1172034765.db2.gz MLHHLUCYIQDARB-BFYDXBDKSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972378652 1172034775 /nfs/dbraw/zinc/03/47/75/1172034775.db2.gz MLHHLUCYIQDARB-BFYDXBDKSA-N 2 2 371.485 0.743 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC000548765296 1172061291 /nfs/dbraw/zinc/06/12/91/1172061291.db2.gz MLLZXQCMVDPJFM-HNNXBMFYSA-N 2 2 364.494 0.740 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000947243654 1172074259 /nfs/dbraw/zinc/07/42/59/1172074259.db2.gz PACFYEWKPCHYBV-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000947243654 1172074268 /nfs/dbraw/zinc/07/42/68/1172074268.db2.gz PACFYEWKPCHYBV-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000947243654 1172074275 /nfs/dbraw/zinc/07/42/75/1172074275.db2.gz PACFYEWKPCHYBV-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000947243654 1172074279 /nfs/dbraw/zinc/07/42/79/1172074279.db2.gz PACFYEWKPCHYBV-FVQBIDKESA-N 2 2 359.474 0.962 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]3O)ccn12 ZINC001083461023 1192500866 /nfs/dbraw/zinc/50/08/66/1192500866.db2.gz JDDMRHJXNYJNGF-UAGQMJEPSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@@H]3O)ccn12 ZINC001083461023 1192500870 /nfs/dbraw/zinc/50/08/70/1192500870.db2.gz JDDMRHJXNYJNGF-UAGQMJEPSA-N 2 2 358.442 0.844 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@@H+]1C ZINC000972431246 1172129798 /nfs/dbraw/zinc/12/97/98/1172129798.db2.gz XINMMGXSZRTCAC-BZZMCLGOSA-N 2 2 373.501 0.752 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@H+]1C ZINC000972431246 1172129811 /nfs/dbraw/zinc/12/98/11/1172129811.db2.gz XINMMGXSZRTCAC-BZZMCLGOSA-N 2 2 373.501 0.752 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621782 1192694127 /nfs/dbraw/zinc/69/41/27/1192694127.db2.gz TUQHYVVSXFIXIR-ILXRZTDVSA-N 2 2 364.494 0.450 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621782 1192694130 /nfs/dbraw/zinc/69/41/30/1192694130.db2.gz TUQHYVVSXFIXIR-ILXRZTDVSA-N 2 2 364.494 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621782 1192694134 /nfs/dbraw/zinc/69/41/34/1192694134.db2.gz TUQHYVVSXFIXIR-ILXRZTDVSA-N 2 2 364.494 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088621782 1192694138 /nfs/dbraw/zinc/69/41/38/1192694138.db2.gz TUQHYVVSXFIXIR-ILXRZTDVSA-N 2 2 364.494 0.450 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897559176 1192809111 /nfs/dbraw/zinc/80/91/11/1192809111.db2.gz SGULAOQOSMLBJU-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897559176 1192809112 /nfs/dbraw/zinc/80/91/12/1192809112.db2.gz SGULAOQOSMLBJU-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897559176 1192809114 /nfs/dbraw/zinc/80/91/14/1192809114.db2.gz SGULAOQOSMLBJU-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897559176 1192809117 /nfs/dbraw/zinc/80/91/17/1192809117.db2.gz SGULAOQOSMLBJU-QFBILLFUSA-N 2 2 368.522 0.633 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088678098 1192816650 /nfs/dbraw/zinc/81/66/50/1192816650.db2.gz GMNVFSYUNWPLFY-OAGGEKHMSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCN1CCCC1=O ZINC001088678098 1192816651 /nfs/dbraw/zinc/81/66/51/1192816651.db2.gz GMNVFSYUNWPLFY-OAGGEKHMSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088674822 1192816660 /nfs/dbraw/zinc/81/66/60/1192816660.db2.gz YXRFMPOFGVEOKA-FMKPAKJESA-N 2 2 360.462 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCN1CCNC1=O ZINC001088674822 1192816661 /nfs/dbraw/zinc/81/66/61/1192816661.db2.gz YXRFMPOFGVEOKA-FMKPAKJESA-N 2 2 360.462 0.050 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)CC2)C1=O ZINC000897756581 1192844536 /nfs/dbraw/zinc/84/45/36/1192844536.db2.gz OADMEOBPEJYIEW-DLBZAZTESA-N 2 2 374.489 0.601 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)CC2)C1=O ZINC000897756581 1192844537 /nfs/dbraw/zinc/84/45/37/1192844537.db2.gz OADMEOBPEJYIEW-DLBZAZTESA-N 2 2 374.489 0.601 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104440657 1178868066 /nfs/dbraw/zinc/86/80/66/1178868066.db2.gz QVMMFXUXEFAZGA-HUUCEWRRSA-N 2 2 361.490 0.706 20 0 FCADLP O=C1NC[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000091867016 1178871581 /nfs/dbraw/zinc/87/15/81/1178871581.db2.gz BGBUGRYEXTZVMW-QGZVFWFLSA-N 2 2 372.469 0.304 20 0 FCADLP O=C1NC[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000091867016 1178871582 /nfs/dbraw/zinc/87/15/82/1178871582.db2.gz BGBUGRYEXTZVMW-QGZVFWFLSA-N 2 2 372.469 0.304 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083259478 1179316191 /nfs/dbraw/zinc/31/61/91/1179316191.db2.gz CLRROFSDHHOIBF-ZWKOTPCHSA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]21 ZINC001083259478 1179316199 /nfs/dbraw/zinc/31/61/99/1179316199.db2.gz CLRROFSDHHOIBF-ZWKOTPCHSA-N 2 2 362.474 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@@H+]1C ZINC001023380392 1179510326 /nfs/dbraw/zinc/51/03/26/1179510326.db2.gz XRLNITGSZLQSIF-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3nc(N(C)C)no3)C2)CC[N@H+]1C ZINC001023380392 1179510348 /nfs/dbraw/zinc/51/03/48/1179510348.db2.gz XRLNITGSZLQSIF-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001023380392 1179510361 /nfs/dbraw/zinc/51/03/61/1179510361.db2.gz XRLNITGSZLQSIF-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(N(C)C)no3)C2)CC[NH+]1C ZINC001023380392 1179510372 /nfs/dbraw/zinc/51/03/72/1179510372.db2.gz XRLNITGSZLQSIF-QLFBSQMISA-N 2 2 364.494 0.804 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001087241108 1179595438 /nfs/dbraw/zinc/59/54/38/1179595438.db2.gz IBOQKGMNBVSUBB-ZBFHGGJFSA-N 2 2 359.478 0.898 20 0 FCADLP CCn1ccnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451003 1179753596 /nfs/dbraw/zinc/75/35/96/1179753596.db2.gz LNIGFPUVBHUYCR-IXDOHACOSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451003 1179753608 /nfs/dbraw/zinc/75/36/08/1179753608.db2.gz LNIGFPUVBHUYCR-IXDOHACOSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451003 1179753617 /nfs/dbraw/zinc/75/36/17/1179753617.db2.gz LNIGFPUVBHUYCR-IXDOHACOSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451003 1179753622 /nfs/dbraw/zinc/75/36/22/1179753622.db2.gz LNIGFPUVBHUYCR-IXDOHACOSA-N 2 2 363.506 0.950 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451564 1179758684 /nfs/dbraw/zinc/75/86/84/1179758684.db2.gz QGJGIYYBTJIYBO-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451564 1179758697 /nfs/dbraw/zinc/75/86/97/1179758697.db2.gz QGJGIYYBTJIYBO-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451564 1179758705 /nfs/dbraw/zinc/75/87/05/1179758705.db2.gz QGJGIYYBTJIYBO-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nc1 ZINC001023451564 1179758720 /nfs/dbraw/zinc/75/87/20/1179758720.db2.gz QGJGIYYBTJIYBO-BRWVUGGUSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451866 1179760535 /nfs/dbraw/zinc/76/05/35/1179760535.db2.gz UPTMLGVKRPQWFR-JFIYKMOQSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451866 1179760544 /nfs/dbraw/zinc/76/05/44/1179760544.db2.gz UPTMLGVKRPQWFR-JFIYKMOQSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451866 1179760548 /nfs/dbraw/zinc/76/05/48/1179760548.db2.gz UPTMLGVKRPQWFR-JFIYKMOQSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001023451866 1179760556 /nfs/dbraw/zinc/76/05/56/1179760556.db2.gz UPTMLGVKRPQWFR-JFIYKMOQSA-N 2 2 361.490 0.832 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972611027 1179976845 /nfs/dbraw/zinc/97/68/45/1179976845.db2.gz AZRCSFSVVYDEQK-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972611027 1179976851 /nfs/dbraw/zinc/97/68/51/1179976851.db2.gz AZRCSFSVVYDEQK-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972611026 1179977613 /nfs/dbraw/zinc/97/76/13/1179977613.db2.gz AZRCSFSVVYDEQK-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972611026 1179977622 /nfs/dbraw/zinc/97/76/22/1179977622.db2.gz AZRCSFSVVYDEQK-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691449173 1179996330 /nfs/dbraw/zinc/99/63/30/1179996330.db2.gz XDACXLUKIXOCIO-KBRIMQKVSA-N 2 2 364.465 0.925 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691449173 1179996335 /nfs/dbraw/zinc/99/63/35/1179996335.db2.gz XDACXLUKIXOCIO-KBRIMQKVSA-N 2 2 364.465 0.925 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ncccn2)C1 ZINC001087248143 1180009122 /nfs/dbraw/zinc/00/91/22/1180009122.db2.gz QFTVHJXYZRSMGW-IXDOHACOSA-N 2 2 361.490 0.914 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ncccn2)C1 ZINC001087248143 1180009128 /nfs/dbraw/zinc/00/91/28/1180009128.db2.gz QFTVHJXYZRSMGW-IXDOHACOSA-N 2 2 361.490 0.914 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CCC1 ZINC000972638275 1180089986 /nfs/dbraw/zinc/08/99/86/1180089986.db2.gz JBAUESXZQVGUPI-HUUCEWRRSA-N 2 2 359.474 0.886 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001058573648 1180994261 /nfs/dbraw/zinc/99/42/61/1180994261.db2.gz SQTOOUCPDDYAKJ-KCQAQPDRSA-N 2 2 357.462 0.789 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001058573648 1180994268 /nfs/dbraw/zinc/99/42/68/1180994268.db2.gz SQTOOUCPDDYAKJ-KCQAQPDRSA-N 2 2 357.462 0.789 20 0 FCADLP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000892455469 1181060328 /nfs/dbraw/zinc/06/03/28/1181060328.db2.gz CJPBAQGAHUTCME-UHFFFAOYSA-N 2 2 359.478 0.636 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506445 1181260459 /nfs/dbraw/zinc/26/04/59/1181260459.db2.gz MADKPUYWSZNENX-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506445 1181260464 /nfs/dbraw/zinc/26/04/64/1181260464.db2.gz MADKPUYWSZNENX-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506445 1181260471 /nfs/dbraw/zinc/26/04/71/1181260471.db2.gz MADKPUYWSZNENX-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506445 1181260477 /nfs/dbraw/zinc/26/04/77/1181260477.db2.gz MADKPUYWSZNENX-UWWQBHOKSA-N 2 2 361.490 0.975 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972989765 1181851359 /nfs/dbraw/zinc/85/13/59/1181851359.db2.gz KNXSCBKBFUEQTE-BRWVUGGUSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972989765 1181851362 /nfs/dbraw/zinc/85/13/62/1181851362.db2.gz KNXSCBKBFUEQTE-BRWVUGGUSA-N 2 2 359.474 0.815 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC000972992727 1181859954 /nfs/dbraw/zinc/85/99/54/1181859954.db2.gz RFPRFEPNMVWIRH-NVXWUHKLSA-N 2 2 364.409 0.904 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC[N@@H+]1C ZINC000972994083 1181862491 /nfs/dbraw/zinc/86/24/91/1181862491.db2.gz GPERMBNJHFWJBA-MWDXBVQZSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC[N@H+]1C ZINC000972994083 1181862496 /nfs/dbraw/zinc/86/24/96/1181862496.db2.gz GPERMBNJHFWJBA-MWDXBVQZSA-N 2 2 359.474 0.673 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256413 1182105947 /nfs/dbraw/zinc/10/59/47/1182105947.db2.gz PTRWAEJAXODKSG-QFBILLFUSA-N 2 2 359.474 0.991 20 0 FCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2)C1 ZINC000659256413 1182105952 /nfs/dbraw/zinc/10/59/52/1182105952.db2.gz PTRWAEJAXODKSG-QFBILLFUSA-N 2 2 359.474 0.991 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000973310931 1182223666 /nfs/dbraw/zinc/22/36/66/1182223666.db2.gz GRYNLRHHXZFTFK-WRQOLXDDSA-N 2 2 371.485 0.629 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211645307 1182274418 /nfs/dbraw/zinc/27/44/18/1182274418.db2.gz YHLFSFITGXPTEX-DLBZAZTESA-N 2 2 355.442 0.603 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)Nc1ccon1)C2 ZINC001112009424 1182319934 /nfs/dbraw/zinc/31/99/34/1182319934.db2.gz BWTWFXDTTDTKFR-KSSFIOAISA-N 2 2 363.462 0.924 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccon1)C2 ZINC001112009424 1182319938 /nfs/dbraw/zinc/31/99/38/1182319938.db2.gz BWTWFXDTTDTKFR-KSSFIOAISA-N 2 2 363.462 0.924 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccon1)C2 ZINC001112009424 1182319945 /nfs/dbraw/zinc/31/99/45/1182319945.db2.gz BWTWFXDTTDTKFR-KSSFIOAISA-N 2 2 363.462 0.924 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000973467196 1182322571 /nfs/dbraw/zinc/32/25/71/1182322571.db2.gz GQCVPDKMAKYRCN-KBUPBQIOSA-N 2 2 357.458 0.383 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104682264 1182365019 /nfs/dbraw/zinc/36/50/19/1182365019.db2.gz JSBPXFPJQSJTHG-HUUCEWRRSA-N 2 2 365.526 0.762 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104682264 1182365021 /nfs/dbraw/zinc/36/50/21/1182365021.db2.gz JSBPXFPJQSJTHG-HUUCEWRRSA-N 2 2 365.526 0.762 20 0 FCADLP C[C@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919045 1182868057 /nfs/dbraw/zinc/86/80/57/1182868057.db2.gz CWNABVANONHZMO-OXODIDRGSA-N 2 2 369.481 0.661 20 0 FCADLP C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001025919045 1182868058 /nfs/dbraw/zinc/86/80/58/1182868058.db2.gz CWNABVANONHZMO-OXODIDRGSA-N 2 2 369.481 0.661 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2CCCC2=O)C1 ZINC001104955437 1183018202 /nfs/dbraw/zinc/01/82/02/1183018202.db2.gz ZIYKBYNXNOLMKT-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP CCN(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104967566 1183026227 /nfs/dbraw/zinc/02/62/27/1183026227.db2.gz WDEHSSRYBADMIE-HZPDHXFCSA-N 2 2 363.506 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]CC(=O)NC1CC1 ZINC001104967561 1183026526 /nfs/dbraw/zinc/02/65/26/1183026526.db2.gz VMNUFRCGQAURDQ-HUUCEWRRSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001105101413 1183122312 /nfs/dbraw/zinc/12/23/12/1183122312.db2.gz KGFDIEVNFIZAHP-HUUCEWRRSA-N 2 2 363.441 0.719 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21)[NH+](C)C ZINC000974689802 1183447802 /nfs/dbraw/zinc/44/78/02/1183447802.db2.gz LSURQDXOMSJKRB-QGPMSJSTSA-N 2 2 361.490 0.608 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000975318590 1183825903 /nfs/dbraw/zinc/82/59/03/1183825903.db2.gz KDPFYKHWNQPILV-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000975318590 1183825905 /nfs/dbraw/zinc/82/59/05/1183825905.db2.gz KDPFYKHWNQPILV-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC000975424815 1183865698 /nfs/dbraw/zinc/86/56/98/1183865698.db2.gz UGFIXQZMXJHLDN-SUMDDJOVSA-N 2 2 371.485 0.886 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000975425192 1183866975 /nfs/dbraw/zinc/86/69/75/1183866975.db2.gz WBZBISMFWASAHD-CXAGYDPISA-N 2 2 364.409 0.973 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975682643 1184036842 /nfs/dbraw/zinc/03/68/42/1184036842.db2.gz AJEURIJMBKNCAK-JYJNAYRXSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975682643 1184036848 /nfs/dbraw/zinc/03/68/48/1184036848.db2.gz AJEURIJMBKNCAK-JYJNAYRXSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)C1 ZINC000975931304 1185854360 /nfs/dbraw/zinc/85/43/60/1185854360.db2.gz SZORMSZAXZBYKG-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)C1 ZINC000975931304 1185854362 /nfs/dbraw/zinc/85/43/62/1185854362.db2.gz SZORMSZAXZBYKG-PMPSAXMXSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000979859656 1186126697 /nfs/dbraw/zinc/12/66/97/1186126697.db2.gz FZDBUYAKRFQEPL-HDKMNVHJSA-N 2 2 373.501 0.875 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000979859656 1186126700 /nfs/dbraw/zinc/12/67/00/1186126700.db2.gz FZDBUYAKRFQEPL-HDKMNVHJSA-N 2 2 373.501 0.875 20 0 FCADLP COc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966213 1186241797 /nfs/dbraw/zinc/24/17/97/1186241797.db2.gz MCRNHDFGRLUKCA-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001027966213 1186241802 /nfs/dbraw/zinc/24/18/02/1186241802.db2.gz MCRNHDFGRLUKCA-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001027966213 1186241807 /nfs/dbraw/zinc/24/18/07/1186241807.db2.gz MCRNHDFGRLUKCA-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001027966213 1186241811 /nfs/dbraw/zinc/24/18/11/1186241811.db2.gz MCRNHDFGRLUKCA-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184733 1186340553 /nfs/dbraw/zinc/34/05/53/1186340553.db2.gz LUCBQULZLKUTPC-AEFFLSMTSA-N 2 2 366.506 0.014 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981184733 1186340556 /nfs/dbraw/zinc/34/05/56/1186340556.db2.gz LUCBQULZLKUTPC-AEFFLSMTSA-N 2 2 366.506 0.014 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000981769716 1186520246 /nfs/dbraw/zinc/52/02/46/1186520246.db2.gz GPXVTLBWHBQRCW-LSDHHAIUSA-N 2 2 359.474 0.982 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441962 1187512420 /nfs/dbraw/zinc/51/24/20/1187512420.db2.gz JPBXOQIAYUZIPS-CGTJXYLNSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087441962 1187512424 /nfs/dbraw/zinc/51/24/24/1187512424.db2.gz JPBXOQIAYUZIPS-CGTJXYLNSA-N 2 2 370.497 0.930 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001087443595 1187521396 /nfs/dbraw/zinc/52/13/96/1187521396.db2.gz VBSHEXHGZZPLJI-QRVBRYPASA-N 2 2 370.497 0.945 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1c1ccccc1 ZINC001087443595 1187521398 /nfs/dbraw/zinc/52/13/98/1187521398.db2.gz VBSHEXHGZZPLJI-QRVBRYPASA-N 2 2 370.497 0.945 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc(C4CC4)n3C)C2)CC[N@@H+]1C ZINC001028550190 1187602105 /nfs/dbraw/zinc/60/21/05/1187602105.db2.gz KFICXEQHJLGUPG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc(C4CC4)n3C)C2)CC[N@H+]1C ZINC001028550190 1187602106 /nfs/dbraw/zinc/60/21/06/1187602106.db2.gz KFICXEQHJLGUPG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)C2)CC[NH+]1C ZINC001028550190 1187602111 /nfs/dbraw/zinc/60/21/11/1187602111.db2.gz KFICXEQHJLGUPG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)C2)CC[NH+]1C ZINC001028550190 1187602114 /nfs/dbraw/zinc/60/21/14/1187602114.db2.gz KFICXEQHJLGUPG-IJEWVQPXSA-N 2 2 360.506 0.971 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001028550686 1187602238 /nfs/dbraw/zinc/60/22/38/1187602238.db2.gz GNBNEUIRCPYDCX-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001028550686 1187602243 /nfs/dbraw/zinc/60/22/43/1187602243.db2.gz GNBNEUIRCPYDCX-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3nc(COC)no3)C2)CC[NH+]1C ZINC001028550686 1187602247 /nfs/dbraw/zinc/60/22/47/1187602247.db2.gz GNBNEUIRCPYDCX-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nc(COC)no3)C2)CC[NH+]1C ZINC001028550686 1187602252 /nfs/dbraw/zinc/60/22/52/1187602252.db2.gz GNBNEUIRCPYDCX-QLFBSQMISA-N 2 2 365.478 0.884 20 0 FCADLP COCCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028550774 1187602459 /nfs/dbraw/zinc/60/24/59/1187602459.db2.gz TVVQXAOYRJDAMF-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001028550774 1187602460 /nfs/dbraw/zinc/60/24/60/1187602460.db2.gz TVVQXAOYRJDAMF-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001028550774 1187602462 /nfs/dbraw/zinc/60/24/62/1187602462.db2.gz TVVQXAOYRJDAMF-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001028550774 1187602467 /nfs/dbraw/zinc/60/24/67/1187602467.db2.gz TVVQXAOYRJDAMF-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000982779263 1187643723 /nfs/dbraw/zinc/64/37/23/1187643723.db2.gz QEZBRWDUJBYRCV-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372273 1187692609 /nfs/dbraw/zinc/69/26/09/1187692609.db2.gz JAHIONVKEABFSY-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372273 1187692611 /nfs/dbraw/zinc/69/26/11/1187692611.db2.gz JAHIONVKEABFSY-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372273 1187692613 /nfs/dbraw/zinc/69/26/13/1187692613.db2.gz JAHIONVKEABFSY-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1O ZINC001083372273 1187692616 /nfs/dbraw/zinc/69/26/16/1187692616.db2.gz JAHIONVKEABFSY-QRVBRYPASA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000982919161 1187789422 /nfs/dbraw/zinc/78/94/22/1187789422.db2.gz AOIJZDJIAFDJFW-NUEKZKHPSA-N 2 2 359.474 0.820 20 0 FCADLP C[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000982919161 1187789426 /nfs/dbraw/zinc/78/94/26/1187789426.db2.gz AOIJZDJIAFDJFW-NUEKZKHPSA-N 2 2 359.474 0.820 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@@H+]1C ZINC000983062710 1187825389 /nfs/dbraw/zinc/82/53/89/1187825389.db2.gz WIJBWVPYFCQTII-HLLBOEOZSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC[N@H+]1C ZINC000983062710 1187825390 /nfs/dbraw/zinc/82/53/90/1187825390.db2.gz WIJBWVPYFCQTII-HLLBOEOZSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001691505211 1187846720 /nfs/dbraw/zinc/84/67/20/1187846720.db2.gz ZBTILKYMEIEXCS-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1CC ZINC001691505211 1187846721 /nfs/dbraw/zinc/84/67/21/1187846721.db2.gz ZBTILKYMEIEXCS-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000549988772 1188044992 /nfs/dbraw/zinc/04/49/92/1188044992.db2.gz WKHDSJLPUHLUMZ-UHFFFAOYSA-N 2 2 373.501 0.135 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075742406 1188056745 /nfs/dbraw/zinc/05/67/45/1188056745.db2.gz YBKWOGJHXNYDNV-HRCADAONSA-N 2 2 358.446 0.133 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001075742406 1188056749 /nfs/dbraw/zinc/05/67/49/1188056749.db2.gz YBKWOGJHXNYDNV-HRCADAONSA-N 2 2 358.446 0.133 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)[C@@H]2C1 ZINC001270272701 1188073824 /nfs/dbraw/zinc/07/38/24/1188073824.db2.gz QUJCNLPXGXFESO-SWLSCSKDSA-N 2 2 356.430 0.380 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)[C@@H]2C1 ZINC001270272701 1188073830 /nfs/dbraw/zinc/07/38/30/1188073830.db2.gz QUJCNLPXGXFESO-SWLSCSKDSA-N 2 2 356.430 0.380 20 0 FCADLP C[N@@H+]1CCC[C@H](C(=O)N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332494 1188099844 /nfs/dbraw/zinc/09/98/44/1188099844.db2.gz KIGYLVLBAFLVSN-QFBILLFUSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CCC[C@H](C(=O)N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)C1 ZINC001270332494 1188099850 /nfs/dbraw/zinc/09/98/50/1188099850.db2.gz KIGYLVLBAFLVSN-QFBILLFUSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469622 1188212177 /nfs/dbraw/zinc/21/21/77/1188212177.db2.gz NKIIFECLXXHARI-USXIJHARSA-N 2 2 362.449 0.537 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469622 1188212180 /nfs/dbraw/zinc/21/21/80/1188212180.db2.gz NKIIFECLXXHARI-USXIJHARSA-N 2 2 362.449 0.537 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469622 1188212181 /nfs/dbraw/zinc/21/21/81/1188212181.db2.gz NKIIFECLXXHARI-USXIJHARSA-N 2 2 362.449 0.537 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2c2ccc(F)cc2)C1 ZINC001087469622 1188212184 /nfs/dbraw/zinc/21/21/84/1188212184.db2.gz NKIIFECLXXHARI-USXIJHARSA-N 2 2 362.449 0.537 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC000894464802 1188220927 /nfs/dbraw/zinc/22/09/27/1188220927.db2.gz GOAPSCVADGSOCP-GIOYIUAESA-N 2 2 366.506 0.459 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC000894464802 1188220933 /nfs/dbraw/zinc/22/09/33/1188220933.db2.gz GOAPSCVADGSOCP-GIOYIUAESA-N 2 2 366.506 0.459 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087727530 1189804392 /nfs/dbraw/zinc/80/43/92/1189804392.db2.gz BIOCEKUQTICGBX-UONOGXRCSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087727530 1189804393 /nfs/dbraw/zinc/80/43/93/1189804393.db2.gz BIOCEKUQTICGBX-UONOGXRCSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087727530 1189804394 /nfs/dbraw/zinc/80/43/94/1189804394.db2.gz BIOCEKUQTICGBX-UONOGXRCSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087727530 1189804395 /nfs/dbraw/zinc/80/43/95/1189804395.db2.gz BIOCEKUQTICGBX-UONOGXRCSA-N 2 2 364.494 0.309 20 0 FCADLP COCCN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1cc(C)[nH+]c(C)n1 ZINC001126549716 1189832161 /nfs/dbraw/zinc/83/21/61/1189832161.db2.gz WBCQXBOAEWGMEA-GDBMZVCRSA-N 2 2 365.478 0.382 20 0 FCADLP COCCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1cc(C)[nH+]c(C)n1 ZINC001126549716 1189832163 /nfs/dbraw/zinc/83/21/63/1189832163.db2.gz WBCQXBOAEWGMEA-GDBMZVCRSA-N 2 2 365.478 0.382 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909016 1189895019 /nfs/dbraw/zinc/89/50/19/1189895019.db2.gz VNBMNCMYTPRKDA-QLFBSQMISA-N 2 2 361.446 0.488 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909016 1189895020 /nfs/dbraw/zinc/89/50/20/1189895020.db2.gz VNBMNCMYTPRKDA-QLFBSQMISA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909016 1189895026 /nfs/dbraw/zinc/89/50/26/1189895026.db2.gz VNBMNCMYTPRKDA-QLFBSQMISA-N 2 2 361.446 0.488 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909016 1189895028 /nfs/dbraw/zinc/89/50/28/1189895028.db2.gz VNBMNCMYTPRKDA-QLFBSQMISA-N 2 2 361.446 0.488 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000896230672 1190014980 /nfs/dbraw/zinc/01/49/80/1190014980.db2.gz RUGPBQNQHTWGRP-MRXNPFEDSA-N 2 2 374.489 0.266 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984697433 1190074548 /nfs/dbraw/zinc/07/45/48/1190074548.db2.gz URHOIJIEFRNNKX-XHSDSOJGSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984697433 1190074553 /nfs/dbraw/zinc/07/45/53/1190074553.db2.gz URHOIJIEFRNNKX-XHSDSOJGSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896563293 1190093293 /nfs/dbraw/zinc/09/32/93/1190093293.db2.gz JWMYYJNVTYOICT-DBVUQKKJSA-N 2 2 374.529 0.935 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896563293 1190093297 /nfs/dbraw/zinc/09/32/97/1190093297.db2.gz JWMYYJNVTYOICT-DBVUQKKJSA-N 2 2 374.529 0.935 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986314 1190114860 /nfs/dbraw/zinc/11/48/60/1190114860.db2.gz FYZFJDQAFCCHEU-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986314 1190114864 /nfs/dbraw/zinc/11/48/64/1190114864.db2.gz FYZFJDQAFCCHEU-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986314 1190114866 /nfs/dbraw/zinc/11/48/66/1190114866.db2.gz FYZFJDQAFCCHEU-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986314 1190114869 /nfs/dbraw/zinc/11/48/69/1190114869.db2.gz FYZFJDQAFCCHEU-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993760 1190145073 /nfs/dbraw/zinc/14/50/73/1190145073.db2.gz BDOZCMRNOCSSKZ-VYDXJSESSA-N 2 2 369.473 0.870 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993760 1190145077 /nfs/dbraw/zinc/14/50/77/1190145077.db2.gz BDOZCMRNOCSSKZ-VYDXJSESSA-N 2 2 369.473 0.870 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1)N1CCC1 ZINC001088017405 1190226593 /nfs/dbraw/zinc/22/65/93/1190226593.db2.gz ZNBYXWRXXSOAJZ-BBWFWOEESA-N 2 2 371.485 0.458 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1)N1CCC1 ZINC001088017405 1190226600 /nfs/dbraw/zinc/22/66/00/1190226600.db2.gz ZNBYXWRXXSOAJZ-BBWFWOEESA-N 2 2 371.485 0.458 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018624 1190231031 /nfs/dbraw/zinc/23/10/31/1190231031.db2.gz FGBFABWETZHMGH-ZACQAIPSSA-N 2 2 371.485 0.458 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1)N1CCC1 ZINC001088018624 1190231035 /nfs/dbraw/zinc/23/10/35/1190231035.db2.gz FGBFABWETZHMGH-ZACQAIPSSA-N 2 2 371.485 0.458 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)n1 ZINC001088042382 1190300495 /nfs/dbraw/zinc/30/04/95/1190300495.db2.gz LXHCGPFOGGGUEP-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)n1 ZINC001088042382 1190300500 /nfs/dbraw/zinc/30/05/00/1190300500.db2.gz LXHCGPFOGGGUEP-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)n1 ZINC001088043061 1190302526 /nfs/dbraw/zinc/30/25/26/1190302526.db2.gz WJSQRUXDSHSSJF-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)n1 ZINC001088043061 1190302532 /nfs/dbraw/zinc/30/25/32/1190302532.db2.gz WJSQRUXDSHSSJF-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088050783 1190311384 /nfs/dbraw/zinc/31/13/84/1190311384.db2.gz VRNPIIXMMUMFOR-OWCLPIDISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088050783 1190311390 /nfs/dbraw/zinc/31/13/90/1190311390.db2.gz VRNPIIXMMUMFOR-OWCLPIDISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088063926 1190339553 /nfs/dbraw/zinc/33/95/53/1190339553.db2.gz CNZYCLSLJNOHNQ-CVEARBPZSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088063926 1190339557 /nfs/dbraw/zinc/33/95/57/1190339557.db2.gz CNZYCLSLJNOHNQ-CVEARBPZSA-N 2 2 360.506 0.970 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101977 1190583464 /nfs/dbraw/zinc/58/34/64/1190583464.db2.gz JXMAIUBHTHJOCU-ILXRZTDVSA-N 2 2 359.474 0.698 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1 ZINC001088101977 1190583467 /nfs/dbraw/zinc/58/34/67/1190583467.db2.gz JXMAIUBHTHJOCU-ILXRZTDVSA-N 2 2 359.474 0.698 20 0 FCADLP CN(C)C(=O)CCN1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276756173 1224108792 /nfs/dbraw/zinc/10/87/92/1224108792.db2.gz JNMVFJGGMHCKIR-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)CCN1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276756173 1224108794 /nfs/dbraw/zinc/10/87/94/1224108794.db2.gz JNMVFJGGMHCKIR-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000986139669 1190903795 /nfs/dbraw/zinc/90/37/95/1190903795.db2.gz GLOPVQOTSLVHKE-SJORKVTESA-N 2 2 370.457 0.785 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC000986157950 1190909402 /nfs/dbraw/zinc/90/94/02/1190909402.db2.gz UYFZVLGCDYWOJV-SQNIBIBYSA-N 2 2 371.485 0.532 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC000986159158 1190910261 /nfs/dbraw/zinc/91/02/61/1190910261.db2.gz PJNKZCCGPNPWQO-RYRKJORJSA-N 2 2 371.485 0.601 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1)C1CC1 ZINC000986262504 1190938102 /nfs/dbraw/zinc/93/81/02/1190938102.db2.gz UWIMCEGYMCSGFQ-RVKKMQEKSA-N 2 2 359.474 0.599 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)CC1 ZINC000986338185 1190959228 /nfs/dbraw/zinc/95/92/28/1190959228.db2.gz VGVAHAWHUPYNDY-SJORKVTESA-N 2 2 359.474 0.532 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000986366328 1190970577 /nfs/dbraw/zinc/97/05/77/1190970577.db2.gz GZSLBXDUIWCCAL-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000986366328 1190970580 /nfs/dbraw/zinc/97/05/80/1190970580.db2.gz GZSLBXDUIWCCAL-HLLBOEOZSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986403746 1190974588 /nfs/dbraw/zinc/97/45/88/1190974588.db2.gz OZPFZNOQVRACJP-CVEARBPZSA-N 2 2 356.430 0.395 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1)[NH+](C)C ZINC000986418157 1190983717 /nfs/dbraw/zinc/98/37/17/1190983717.db2.gz HWQSDJFAQQEGCR-VYDXJSESSA-N 2 2 361.490 0.610 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1)[NH+](C)C ZINC000986425318 1190986973 /nfs/dbraw/zinc/98/69/73/1190986973.db2.gz NSLQRYAMNLDIPO-VYDXJSESSA-N 2 2 361.490 0.610 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986428880 1190988033 /nfs/dbraw/zinc/98/80/33/1190988033.db2.gz SUDQVAHANLVNHG-SJORKVTESA-N 2 2 371.485 0.676 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986438375 1190994713 /nfs/dbraw/zinc/99/47/13/1190994713.db2.gz VTODCXILCDOIMW-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986438375 1190994716 /nfs/dbraw/zinc/99/47/16/1190994716.db2.gz VTODCXILCDOIMW-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986578323 1191045589 /nfs/dbraw/zinc/04/55/89/1191045589.db2.gz YMLJVPOULXELSH-LTIDMASMSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)CC[N@H+]1C ZINC000986578323 1191045592 /nfs/dbraw/zinc/04/55/92/1191045592.db2.gz YMLJVPOULXELSH-LTIDMASMSA-N 2 2 373.501 0.989 20 0 FCADLP C[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@@H]1CCCNC1=O ZINC001029970530 1191052271 /nfs/dbraw/zinc/05/22/71/1191052271.db2.gz FFSSCPRXHRIPBK-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@@H]1CCCNC1=O ZINC001029970530 1191052274 /nfs/dbraw/zinc/05/22/74/1191052274.db2.gz FFSSCPRXHRIPBK-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@@H]1CCCNC1=O ZINC001029970530 1191052278 /nfs/dbraw/zinc/05/22/78/1191052278.db2.gz FFSSCPRXHRIPBK-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@@H]1CCCNC1=O ZINC001029970530 1191052280 /nfs/dbraw/zinc/05/22/80/1191052280.db2.gz FFSSCPRXHRIPBK-BFYDXBDKSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001088506085 1191063089 /nfs/dbraw/zinc/06/30/89/1191063089.db2.gz HDYNOSIYRSTXQQ-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001088506085 1191063092 /nfs/dbraw/zinc/06/30/92/1191063092.db2.gz HDYNOSIYRSTXQQ-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001088506085 1191063095 /nfs/dbraw/zinc/06/30/95/1191063095.db2.gz HDYNOSIYRSTXQQ-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001088506085 1191063098 /nfs/dbraw/zinc/06/30/98/1191063098.db2.gz HDYNOSIYRSTXQQ-COXVUDFISA-N 2 2 360.458 0.195 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986685091 1191080099 /nfs/dbraw/zinc/08/00/99/1191080099.db2.gz XQLRDSGLFHVELF-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986685091 1191080101 /nfs/dbraw/zinc/08/01/01/1191080101.db2.gz XQLRDSGLFHVELF-XHSDSOJGSA-N 2 2 359.474 0.601 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109346 1224140856 /nfs/dbraw/zinc/14/08/56/1224140856.db2.gz NNNYOTZHUOARGU-YESZJQIVSA-N 2 2 366.506 0.426 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109346 1224140859 /nfs/dbraw/zinc/14/08/59/1224140859.db2.gz NNNYOTZHUOARGU-YESZJQIVSA-N 2 2 366.506 0.426 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218109346 1224140862 /nfs/dbraw/zinc/14/08/62/1224140862.db2.gz NNNYOTZHUOARGU-YESZJQIVSA-N 2 2 366.506 0.426 20 0 FCADLP CCCC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218109346 1224140864 /nfs/dbraw/zinc/14/08/64/1224140864.db2.gz NNNYOTZHUOARGU-YESZJQIVSA-N 2 2 366.506 0.426 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550644234 1193721869 /nfs/dbraw/zinc/72/18/69/1193721869.db2.gz CAZQQFAVCALJTJ-HOTGVXAUSA-N 2 2 369.473 0.737 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550644234 1193721874 /nfs/dbraw/zinc/72/18/74/1193721874.db2.gz CAZQQFAVCALJTJ-HOTGVXAUSA-N 2 2 369.473 0.737 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000550655987 1193726713 /nfs/dbraw/zinc/72/67/13/1193726713.db2.gz AUEDWTJLLZEFEQ-YESZJQIVSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000550655987 1193726717 /nfs/dbraw/zinc/72/67/17/1193726717.db2.gz AUEDWTJLLZEFEQ-YESZJQIVSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000550655987 1193726722 /nfs/dbraw/zinc/72/67/22/1193726722.db2.gz AUEDWTJLLZEFEQ-YESZJQIVSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000550655987 1193726727 /nfs/dbraw/zinc/72/67/27/1193726727.db2.gz AUEDWTJLLZEFEQ-YESZJQIVSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550663924 1193728876 /nfs/dbraw/zinc/72/88/76/1193728876.db2.gz OJQWTPPASMCTGD-ULQDDVLXSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550663923 1193728926 /nfs/dbraw/zinc/72/89/26/1193728926.db2.gz OJQWTPPASMCTGD-IKGGRYGDSA-N 2 2 368.522 0.448 20 0 FCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)cc1 ZINC001218510493 1224165520 /nfs/dbraw/zinc/16/55/20/1224165520.db2.gz MKIDDJKVIBVDEG-MRXNPFEDSA-N 2 2 369.425 0.765 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550756816 1193761445 /nfs/dbraw/zinc/76/14/45/1193761445.db2.gz KSOYJHXPNJZMRJ-DLBZAZTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000550758556 1193761732 /nfs/dbraw/zinc/76/17/32/1193761732.db2.gz WBEAKXYMUHBLJE-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000550758556 1193761737 /nfs/dbraw/zinc/76/17/37/1193761737.db2.gz WBEAKXYMUHBLJE-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000989996703 1193775851 /nfs/dbraw/zinc/77/58/51/1193775851.db2.gz IJXVMNSMDGLNNY-OAGGEKHMSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000989996703 1193775855 /nfs/dbraw/zinc/77/58/55/1193775855.db2.gz IJXVMNSMDGLNNY-OAGGEKHMSA-N 2 2 361.490 0.943 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550955180 1193822150 /nfs/dbraw/zinc/82/21/50/1193822150.db2.gz BULNZBLGXQUUOI-NVXWUHKLSA-N 2 2 373.501 0.821 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000550955180 1193822151 /nfs/dbraw/zinc/82/21/51/1193822151.db2.gz BULNZBLGXQUUOI-NVXWUHKLSA-N 2 2 373.501 0.821 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105622888 1193841516 /nfs/dbraw/zinc/84/15/16/1193841516.db2.gz JSYUOJJXCXYEGB-RGCFKVTRSA-N 2 2 364.490 0.691 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000990438510 1193855603 /nfs/dbraw/zinc/85/56/03/1193855603.db2.gz VJZFDHIHEVADKI-CJNGLKHVSA-N 2 2 363.462 0.169 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557862 1224172818 /nfs/dbraw/zinc/17/28/18/1224172818.db2.gz MEGMJSYOKSBBOU-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557862 1224172819 /nfs/dbraw/zinc/17/28/19/1224172819.db2.gz MEGMJSYOKSBBOU-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557975 1224173134 /nfs/dbraw/zinc/17/31/34/1224173134.db2.gz OIOOMYKEXNCCDV-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557975 1224173137 /nfs/dbraw/zinc/17/31/37/1224173137.db2.gz OIOOMYKEXNCCDV-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCc5[nH+]ccn5C4)[C@@H]3C2)cn1 ZINC001075965717 1193885587 /nfs/dbraw/zinc/88/55/87/1193885587.db2.gz AQOWBDNTNJGLCK-RCCFBDPRSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCc5[nH+]ccn5C4)[C@@H]3C2)cn1 ZINC001075965717 1193885588 /nfs/dbraw/zinc/88/55/88/1193885588.db2.gz AQOWBDNTNJGLCK-RCCFBDPRSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967012 1193885843 /nfs/dbraw/zinc/88/58/43/1193885843.db2.gz CFRKZMKGYAXCOX-XYJFISCASA-N 2 2 354.458 0.912 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCc5c[nH+]cn5C4)[C@@H]3C2)cn1 ZINC001075967012 1193885845 /nfs/dbraw/zinc/88/58/45/1193885845.db2.gz CFRKZMKGYAXCOX-XYJFISCASA-N 2 2 354.458 0.912 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075967917 1193886378 /nfs/dbraw/zinc/88/63/78/1193886378.db2.gz XAYMZCPQOBPKQO-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001075967917 1193886380 /nfs/dbraw/zinc/88/63/80/1193886380.db2.gz XAYMZCPQOBPKQO-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473291 1193902515 /nfs/dbraw/zinc/90/25/15/1193902515.db2.gz SXWVLJWVCFZOSM-DDBAPUKQSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473291 1193902525 /nfs/dbraw/zinc/90/25/25/1193902525.db2.gz SXWVLJWVCFZOSM-DDBAPUKQSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473291 1193902530 /nfs/dbraw/zinc/90/25/30/1193902530.db2.gz SXWVLJWVCFZOSM-DDBAPUKQSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473291 1193902534 /nfs/dbraw/zinc/90/25/34/1193902534.db2.gz SXWVLJWVCFZOSM-DDBAPUKQSA-N 2 2 363.506 0.774 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473156 1193903106 /nfs/dbraw/zinc/90/31/06/1193903106.db2.gz LIVNQKNOTUCXMB-DZUCGIPZSA-N 2 2 363.506 0.640 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083473156 1193903110 /nfs/dbraw/zinc/90/31/10/1193903110.db2.gz LIVNQKNOTUCXMB-DZUCGIPZSA-N 2 2 363.506 0.640 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC[NH+]1C ZINC001083473156 1193903115 /nfs/dbraw/zinc/90/31/15/1193903115.db2.gz LIVNQKNOTUCXMB-DZUCGIPZSA-N 2 2 363.506 0.640 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@@H]2O)CC[NH+]1C ZINC001083473156 1193903118 /nfs/dbraw/zinc/90/31/18/1193903118.db2.gz LIVNQKNOTUCXMB-DZUCGIPZSA-N 2 2 363.506 0.640 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083477713 1193924349 /nfs/dbraw/zinc/92/43/49/1193924349.db2.gz ADSJWNLDPLPPAO-OIISXLGYSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001083477713 1193924353 /nfs/dbraw/zinc/92/43/53/1193924353.db2.gz ADSJWNLDPLPPAO-OIISXLGYSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083477869 1193925083 /nfs/dbraw/zinc/92/50/83/1193925083.db2.gz JFYVRKAMCLUZSI-ZACQAIPSSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001083477869 1193925084 /nfs/dbraw/zinc/92/50/84/1193925084.db2.gz JFYVRKAMCLUZSI-ZACQAIPSSA-N 2 2 362.474 0.492 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748836 1193949831 /nfs/dbraw/zinc/94/98/31/1193949831.db2.gz KKSAYLSRXKMXMH-IAGOWNOFSA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748836 1193949832 /nfs/dbraw/zinc/94/98/32/1193949832.db2.gz KKSAYLSRXKMXMH-IAGOWNOFSA-N 2 2 366.506 0.347 20 0 FCADLP O=C(NCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553177792 1193977984 /nfs/dbraw/zinc/97/79/84/1193977984.db2.gz QIERIQXHHOKDEZ-AWEZNQCLSA-N 2 2 359.474 0.969 20 0 FCADLP O=C(NCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000553177792 1193977988 /nfs/dbraw/zinc/97/79/88/1193977988.db2.gz QIERIQXHHOKDEZ-AWEZNQCLSA-N 2 2 359.474 0.969 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c[nH+]1 ZINC000938185921 1194020978 /nfs/dbraw/zinc/02/09/78/1194020978.db2.gz VDFMZHUORVFFFM-OWCLPIDISA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c[nH+]1 ZINC000938185921 1194020981 /nfs/dbraw/zinc/02/09/81/1194020981.db2.gz VDFMZHUORVFFFM-OWCLPIDISA-N 2 2 361.490 0.984 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000842194359 1194087767 /nfs/dbraw/zinc/08/77/67/1194087767.db2.gz FYBFMONPVZIRFJ-OAHLLOKOSA-N 2 2 373.501 0.658 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814772 1194092331 /nfs/dbraw/zinc/09/23/31/1194092331.db2.gz IYCYRJSIMPMRAW-PVAVHDDUSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814772 1194092334 /nfs/dbraw/zinc/09/23/34/1194092334.db2.gz IYCYRJSIMPMRAW-PVAVHDDUSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814772 1194092337 /nfs/dbraw/zinc/09/23/37/1194092337.db2.gz IYCYRJSIMPMRAW-PVAVHDDUSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)C1 ZINC001088814772 1194092342 /nfs/dbraw/zinc/09/23/42/1194092342.db2.gz IYCYRJSIMPMRAW-PVAVHDDUSA-N 2 2 366.506 0.295 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815285 1194106976 /nfs/dbraw/zinc/10/69/76/1194106976.db2.gz HSEJHIYEFHVVGG-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815285 1194106981 /nfs/dbraw/zinc/10/69/81/1194106981.db2.gz HSEJHIYEFHVVGG-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815285 1194106986 /nfs/dbraw/zinc/10/69/86/1194106986.db2.gz HSEJHIYEFHVVGG-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815285 1194106991 /nfs/dbraw/zinc/10/69/91/1194106991.db2.gz HSEJHIYEFHVVGG-BPQIPLTHSA-N 2 2 363.506 0.917 20 0 FCADLP C[NH2+][C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](C)OC(C)(C)C ZINC001218668694 1224193885 /nfs/dbraw/zinc/19/38/85/1224193885.db2.gz GPYHJOGOTNGNLL-ZBFHGGJFSA-N 2 2 367.494 0.945 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521702 1194136599 /nfs/dbraw/zinc/13/65/99/1194136599.db2.gz DPJNBIWMKLPGHG-OLMNPRSZSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521702 1194136600 /nfs/dbraw/zinc/13/66/00/1194136600.db2.gz DPJNBIWMKLPGHG-OLMNPRSZSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521702 1194136601 /nfs/dbraw/zinc/13/66/01/1194136601.db2.gz DPJNBIWMKLPGHG-OLMNPRSZSA-N 2 2 364.490 0.876 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521702 1194136602 /nfs/dbraw/zinc/13/66/02/1194136602.db2.gz DPJNBIWMKLPGHG-OLMNPRSZSA-N 2 2 364.490 0.876 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC3CC3)[C@@H]1C)CC2 ZINC001088821920 1194152729 /nfs/dbraw/zinc/15/27/29/1194152729.db2.gz SWVQGDAWRKQEOF-IFIJOSMWSA-N 2 2 359.474 0.612 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC3CC3)[C@@H]1C)CC2 ZINC001088821920 1194152733 /nfs/dbraw/zinc/15/27/33/1194152733.db2.gz SWVQGDAWRKQEOF-IFIJOSMWSA-N 2 2 359.474 0.612 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524226 1194156343 /nfs/dbraw/zinc/15/63/43/1194156343.db2.gz MTEUIQPJYSEAFY-ZACQAIPSSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524226 1194156351 /nfs/dbraw/zinc/15/63/51/1194156351.db2.gz MTEUIQPJYSEAFY-ZACQAIPSSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524226 1194156354 /nfs/dbraw/zinc/15/63/54/1194156354.db2.gz MTEUIQPJYSEAFY-ZACQAIPSSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083524226 1194156360 /nfs/dbraw/zinc/15/63/60/1194156360.db2.gz MTEUIQPJYSEAFY-ZACQAIPSSA-N 2 2 366.506 0.031 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1)NC1CC1 ZINC001076053196 1194271098 /nfs/dbraw/zinc/27/10/98/1194271098.db2.gz UHCRUEAUNUOPEW-KBXCAEBGSA-N 2 2 371.485 0.573 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1)NC1CC1 ZINC001076053196 1194271105 /nfs/dbraw/zinc/27/11/05/1194271105.db2.gz UHCRUEAUNUOPEW-KBXCAEBGSA-N 2 2 371.485 0.573 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076079204 1194300775 /nfs/dbraw/zinc/30/07/75/1194300775.db2.gz JQRVEFSAVCATEP-HRCADAONSA-N 2 2 359.474 0.506 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)C1=O ZINC001076079204 1194300779 /nfs/dbraw/zinc/30/07/79/1194300779.db2.gz JQRVEFSAVCATEP-HRCADAONSA-N 2 2 359.474 0.506 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)nn1 ZINC001076242580 1194369674 /nfs/dbraw/zinc/36/96/74/1194369674.db2.gz KIEWSOPZBXMLGU-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@@H](C)C4)[C@@H]3C2)nn1 ZINC001076242580 1194369678 /nfs/dbraw/zinc/36/96/78/1194369678.db2.gz KIEWSOPZBXMLGU-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@@H](C)C4)[C@@H]3C2)nn1 ZINC001076242580 1194369681 /nfs/dbraw/zinc/36/96/81/1194369681.db2.gz KIEWSOPZBXMLGU-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)[C@@H]3C2)nn1 ZINC001076242580 1194369684 /nfs/dbraw/zinc/36/96/84/1194369684.db2.gz KIEWSOPZBXMLGU-HLLBOEOZSA-N 2 2 359.474 0.860 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303372 1194386792 /nfs/dbraw/zinc/38/67/92/1194386792.db2.gz SWGPZTBQDGUDFE-YESZJQIVSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303372 1194386796 /nfs/dbraw/zinc/38/67/96/1194386796.db2.gz SWGPZTBQDGUDFE-YESZJQIVSA-N 2 2 359.474 0.989 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(c1ccc(N)cn1)[C@H]1CC[C@H](O)CC1 ZINC001218753401 1224213165 /nfs/dbraw/zinc/21/31/65/1224213165.db2.gz NTIZLMLJXYPTJB-BPUTZDHNSA-N 2 2 358.446 0.604 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462449 1194508271 /nfs/dbraw/zinc/50/82/71/1194508271.db2.gz VBGWYJHOMLCCSO-XYJFISCASA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[NH+](C)C4)[C@@H]3C2)n1 ZINC001076462449 1194508283 /nfs/dbraw/zinc/50/82/83/1194508283.db2.gz VBGWYJHOMLCCSO-XYJFISCASA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)n1 ZINC001076462449 1194508292 /nfs/dbraw/zinc/50/82/92/1194508292.db2.gz VBGWYJHOMLCCSO-XYJFISCASA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CCN(C(=O)C[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)n1 ZINC001076462449 1194508300 /nfs/dbraw/zinc/50/83/00/1194508300.db2.gz VBGWYJHOMLCCSO-XYJFISCASA-N 2 2 360.506 0.981 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC001076576692 1194583490 /nfs/dbraw/zinc/58/34/90/1194583490.db2.gz WGKNOUMMSRYTFP-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC001076576692 1194583494 /nfs/dbraw/zinc/58/34/94/1194583494.db2.gz WGKNOUMMSRYTFP-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593896 1194587023 /nfs/dbraw/zinc/58/70/23/1194587023.db2.gz BSABDCBAISLZTF-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593896 1194587028 /nfs/dbraw/zinc/58/70/28/1194587028.db2.gz BSABDCBAISLZTF-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593896 1194587033 /nfs/dbraw/zinc/58/70/33/1194587033.db2.gz BSABDCBAISLZTF-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@H]32)C1 ZINC001076593896 1194587038 /nfs/dbraw/zinc/58/70/38/1194587038.db2.gz BSABDCBAISLZTF-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633605 1194607481 /nfs/dbraw/zinc/60/74/81/1194607481.db2.gz WMPANQLBIKEROO-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633605 1194607483 /nfs/dbraw/zinc/60/74/83/1194607483.db2.gz WMPANQLBIKEROO-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819927 1224232799 /nfs/dbraw/zinc/23/27/99/1224232799.db2.gz SBPQWGBMGCFGSB-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819927 1224232807 /nfs/dbraw/zinc/23/28/07/1224232807.db2.gz SBPQWGBMGCFGSB-IXDOHACOSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904085 1224252718 /nfs/dbraw/zinc/25/27/18/1224252718.db2.gz ATHVBZOGQIKWBT-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904085 1224252725 /nfs/dbraw/zinc/25/27/25/1224252725.db2.gz ATHVBZOGQIKWBT-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904085 1224252735 /nfs/dbraw/zinc/25/27/35/1224252735.db2.gz ATHVBZOGQIKWBT-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]21 ZINC001218904085 1224252741 /nfs/dbraw/zinc/25/27/41/1224252741.db2.gz ATHVBZOGQIKWBT-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076837427 1195043896 /nfs/dbraw/zinc/04/38/96/1195043896.db2.gz ZKXQOFNVLIZTBP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076837427 1195043901 /nfs/dbraw/zinc/04/39/01/1195043901.db2.gz ZKXQOFNVLIZTBP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076837427 1195043904 /nfs/dbraw/zinc/04/39/04/1195043904.db2.gz ZKXQOFNVLIZTBP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076837427 1195043906 /nfs/dbraw/zinc/04/39/06/1195043906.db2.gz ZKXQOFNVLIZTBP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@H]2O)CC[N@@H+]1C ZINC001077023670 1195159510 /nfs/dbraw/zinc/15/95/10/1195159510.db2.gz MRKXGTIUWLANCV-DGCUDZEOSA-N 2 2 365.449 0.320 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@H]2O)CC[N@H+]1C ZINC001077023670 1195159516 /nfs/dbraw/zinc/15/95/16/1195159516.db2.gz MRKXGTIUWLANCV-DGCUDZEOSA-N 2 2 365.449 0.320 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CC[NH+]1C ZINC001077023670 1195159524 /nfs/dbraw/zinc/15/95/24/1195159524.db2.gz MRKXGTIUWLANCV-DGCUDZEOSA-N 2 2 365.449 0.320 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]2O)CC[NH+]1C ZINC001077023670 1195159538 /nfs/dbraw/zinc/15/95/38/1195159538.db2.gz MRKXGTIUWLANCV-DGCUDZEOSA-N 2 2 365.449 0.320 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001077146635 1195260856 /nfs/dbraw/zinc/26/08/56/1195260856.db2.gz VRQCFUHKMCJSMU-SQWLQELKSA-N 2 2 362.474 0.984 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077146635 1195260865 /nfs/dbraw/zinc/26/08/65/1195260865.db2.gz VRQCFUHKMCJSMU-SQWLQELKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1C ZINC001083566614 1195299328 /nfs/dbraw/zinc/29/93/28/1195299328.db2.gz TUONIDLWFMRXQJ-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1C ZINC001083566614 1195299335 /nfs/dbraw/zinc/29/93/35/1195299335.db2.gz TUONIDLWFMRXQJ-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1C ZINC001083566614 1195299339 /nfs/dbraw/zinc/29/93/39/1195299339.db2.gz TUONIDLWFMRXQJ-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1C ZINC001083566614 1195299344 /nfs/dbraw/zinc/29/93/44/1195299344.db2.gz TUONIDLWFMRXQJ-OQIJWPOYSA-N 2 2 361.486 0.684 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077218993 1195327551 /nfs/dbraw/zinc/32/75/51/1195327551.db2.gz FBLAJUMMACJPJJ-IAGOWNOFSA-N 2 2 361.490 0.266 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077218993 1195327554 /nfs/dbraw/zinc/32/75/54/1195327554.db2.gz FBLAJUMMACJPJJ-IAGOWNOFSA-N 2 2 361.490 0.266 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220772 1195329780 /nfs/dbraw/zinc/32/97/80/1195329780.db2.gz USGWQLAAKAHZHN-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001077220772 1195329784 /nfs/dbraw/zinc/32/97/84/1195329784.db2.gz USGWQLAAKAHZHN-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220772 1195329790 /nfs/dbraw/zinc/32/97/90/1195329790.db2.gz USGWQLAAKAHZHN-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001077220772 1195329795 /nfs/dbraw/zinc/32/97/95/1195329795.db2.gz USGWQLAAKAHZHN-BNEJOLLZSA-N 2 2 363.458 0.076 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001077237762 1195339297 /nfs/dbraw/zinc/33/92/97/1195339297.db2.gz RAILWBISXDBPQT-CEXWTWQISA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001077237762 1195339303 /nfs/dbraw/zinc/33/93/03/1195339303.db2.gz RAILWBISXDBPQT-CEXWTWQISA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001077237762 1195339307 /nfs/dbraw/zinc/33/93/07/1195339307.db2.gz RAILWBISXDBPQT-CEXWTWQISA-N 2 2 360.502 0.898 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276081 1195376373 /nfs/dbraw/zinc/37/63/73/1195376373.db2.gz LDBWBIZZLLKNAW-IAGOWNOFSA-N 2 2 371.441 0.040 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276081 1195376377 /nfs/dbraw/zinc/37/63/77/1195376377.db2.gz LDBWBIZZLLKNAW-IAGOWNOFSA-N 2 2 371.441 0.040 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1=O ZINC001077310833 1195412400 /nfs/dbraw/zinc/41/24/00/1195412400.db2.gz DKVVUNKNWBVJEG-IAGOWNOFSA-N 2 2 367.409 0.008 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cc1=O ZINC001077310833 1195412409 /nfs/dbraw/zinc/41/24/09/1195412409.db2.gz DKVVUNKNWBVJEG-IAGOWNOFSA-N 2 2 367.409 0.008 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083573715 1195449078 /nfs/dbraw/zinc/44/90/78/1195449078.db2.gz SDTASPWENMMIBF-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083573715 1195449084 /nfs/dbraw/zinc/44/90/84/1195449084.db2.gz SDTASPWENMMIBF-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)cc1 ZINC001083573715 1195449089 /nfs/dbraw/zinc/44/90/89/1195449089.db2.gz SDTASPWENMMIBF-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)cc1 ZINC001083573715 1195449092 /nfs/dbraw/zinc/44/90/92/1195449092.db2.gz SDTASPWENMMIBF-QRVBRYPASA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002782 1224283526 /nfs/dbraw/zinc/28/35/26/1224283526.db2.gz BTUDZKCPWSRDDR-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002782 1224283535 /nfs/dbraw/zinc/28/35/35/1224283535.db2.gz BTUDZKCPWSRDDR-BHYGNILZSA-N 2 2 366.506 0.297 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1F ZINC001077394858 1195491361 /nfs/dbraw/zinc/49/13/61/1195491361.db2.gz HJHAUCQQYLNESZ-HZPDHXFCSA-N 2 2 362.405 0.701 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1F ZINC001077394858 1195491365 /nfs/dbraw/zinc/49/13/65/1195491365.db2.gz HJHAUCQQYLNESZ-HZPDHXFCSA-N 2 2 362.405 0.701 20 0 FCADLP C[C@@]1(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC[NH2+]C1 ZINC000904341886 1195532249 /nfs/dbraw/zinc/53/22/49/1195532249.db2.gz YTCWDXGHROCBEB-LJQANCHMSA-N 2 2 360.506 0.825 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)C1CC1 ZINC001219010221 1224288540 /nfs/dbraw/zinc/28/85/40/1224288540.db2.gz GYNBGVCTVMOUJY-OKZBNKHCSA-N 2 2 362.474 0.987 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083590919 1195587098 /nfs/dbraw/zinc/58/70/98/1195587098.db2.gz BNOQFUDEUQFKLF-MSOLQXFVSA-N 2 2 368.441 0.660 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083590919 1195587100 /nfs/dbraw/zinc/58/71/00/1195587100.db2.gz BNOQFUDEUQFKLF-MSOLQXFVSA-N 2 2 368.441 0.660 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000906375500 1195625769 /nfs/dbraw/zinc/62/57/69/1195625769.db2.gz GDSQTNRSEMDZTC-GOSISDBHSA-N 2 2 373.501 0.568 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000906375500 1195625772 /nfs/dbraw/zinc/62/57/72/1195625772.db2.gz GDSQTNRSEMDZTC-GOSISDBHSA-N 2 2 373.501 0.568 20 0 FCADLP CN1CC[NH+](C)CC(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000906375500 1195625780 /nfs/dbraw/zinc/62/57/80/1195625780.db2.gz GDSQTNRSEMDZTC-GOSISDBHSA-N 2 2 373.501 0.568 20 0 FCADLP CN1CC[NH+](C)CC(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000906375500 1195625789 /nfs/dbraw/zinc/62/57/89/1195625789.db2.gz GDSQTNRSEMDZTC-GOSISDBHSA-N 2 2 373.501 0.568 20 0 FCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906596176 1195641286 /nfs/dbraw/zinc/64/12/86/1195641286.db2.gz CIBDTPYEKJCOIV-QGZVFWFLSA-N 2 2 364.490 0.661 20 0 FCADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906596176 1195641292 /nfs/dbraw/zinc/64/12/92/1195641292.db2.gz CIBDTPYEKJCOIV-QGZVFWFLSA-N 2 2 364.490 0.661 20 0 FCADLP COc1cc(OC)nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906656453 1195642343 /nfs/dbraw/zinc/64/23/43/1195642343.db2.gz SAHDBUCMOPIGFK-CQSZACIVSA-N 2 2 363.462 0.734 20 0 FCADLP COc1cc(OC)nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906656453 1195642347 /nfs/dbraw/zinc/64/23/47/1195642347.db2.gz SAHDBUCMOPIGFK-CQSZACIVSA-N 2 2 363.462 0.734 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455404 1195696897 /nfs/dbraw/zinc/69/68/97/1195696897.db2.gz IEXCTXGALJKYJW-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000907455404 1195696902 /nfs/dbraw/zinc/69/69/02/1195696902.db2.gz IEXCTXGALJKYJW-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455404 1195696907 /nfs/dbraw/zinc/69/69/07/1195696907.db2.gz IEXCTXGALJKYJW-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000907455404 1195696914 /nfs/dbraw/zinc/69/69/14/1195696914.db2.gz IEXCTXGALJKYJW-SJORKVTESA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccn1CC[NH+]1CCOCC1 ZINC000908527367 1195751663 /nfs/dbraw/zinc/75/16/63/1195751663.db2.gz SHRIIZAWOITKKS-QGZVFWFLSA-N 2 2 364.490 0.397 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccn1CC[NH+]1CCOCC1 ZINC000908527367 1195751667 /nfs/dbraw/zinc/75/16/67/1195751667.db2.gz SHRIIZAWOITKKS-QGZVFWFLSA-N 2 2 364.490 0.397 20 0 FCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)[nH]n1 ZINC000909315272 1195793229 /nfs/dbraw/zinc/79/32/29/1195793229.db2.gz GVTVUBMMRRPKDZ-MRXNPFEDSA-N 2 2 362.478 0.508 20 0 FCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)[nH]n1 ZINC000909315272 1195793230 /nfs/dbraw/zinc/79/32/30/1195793230.db2.gz GVTVUBMMRRPKDZ-MRXNPFEDSA-N 2 2 362.478 0.508 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910677893 1195831671 /nfs/dbraw/zinc/83/16/71/1195831671.db2.gz HOGOMAMASDSQFD-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910677893 1195831674 /nfs/dbraw/zinc/83/16/74/1195831674.db2.gz HOGOMAMASDSQFD-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001219033248 1224306523 /nfs/dbraw/zinc/30/65/23/1224306523.db2.gz GCXMZMDQXHVZNR-FGTMMUONSA-N 2 2 367.490 0.189 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@@H]21 ZINC001219033248 1224306530 /nfs/dbraw/zinc/30/65/30/1224306530.db2.gz GCXMZMDQXHVZNR-FGTMMUONSA-N 2 2 367.490 0.189 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037629 1224310236 /nfs/dbraw/zinc/31/02/36/1224310236.db2.gz UQLNKNPFIRFFOX-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037629 1224310241 /nfs/dbraw/zinc/31/02/41/1224310241.db2.gz UQLNKNPFIRFFOX-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000911227209 1195923756 /nfs/dbraw/zinc/92/37/56/1195923756.db2.gz AQBYALOZEAMESV-MRXNPFEDSA-N 2 2 369.469 0.907 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052087 1224320301 /nfs/dbraw/zinc/32/03/01/1224320301.db2.gz DYBKCVDXOKJYCC-YESZJQIVSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052087 1224320308 /nfs/dbraw/zinc/32/03/08/1224320308.db2.gz DYBKCVDXOKJYCC-YESZJQIVSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052087 1224320315 /nfs/dbraw/zinc/32/03/15/1224320315.db2.gz DYBKCVDXOKJYCC-YESZJQIVSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052087 1224320322 /nfs/dbraw/zinc/32/03/22/1224320322.db2.gz DYBKCVDXOKJYCC-YESZJQIVSA-N 2 2 368.522 0.399 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083647804 1196317392 /nfs/dbraw/zinc/31/73/92/1196317392.db2.gz UGRIOQMLHOMPMS-KYJSFNMBSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083647804 1196317395 /nfs/dbraw/zinc/31/73/95/1196317395.db2.gz UGRIOQMLHOMPMS-KYJSFNMBSA-N 2 2 362.474 0.492 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358244 1196319402 /nfs/dbraw/zinc/31/94/02/1196319402.db2.gz IAQRTIZPBLDCMF-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2cncn2C)CC3)O1 ZINC000991358244 1196319409 /nfs/dbraw/zinc/31/94/09/1196319409.db2.gz IAQRTIZPBLDCMF-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2cncn2C)CC3)O1 ZINC000991358244 1196319414 /nfs/dbraw/zinc/31/94/14/1196319414.db2.gz IAQRTIZPBLDCMF-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cncn2C)CC3)O1 ZINC000991358244 1196319417 /nfs/dbraw/zinc/31/94/17/1196319417.db2.gz IAQRTIZPBLDCMF-NWGLXNPWSA-N 2 2 361.490 0.752 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000912723464 1196360713 /nfs/dbraw/zinc/36/07/13/1196360713.db2.gz HITPTLKHVSHGMQ-FQEVSTJZSA-N 2 2 373.545 0.412 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000912723464 1196360718 /nfs/dbraw/zinc/36/07/18/1196360718.db2.gz HITPTLKHVSHGMQ-FQEVSTJZSA-N 2 2 373.545 0.412 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1=O ZINC000591650849 1196523851 /nfs/dbraw/zinc/52/38/51/1196523851.db2.gz MFRFZIVJOVZOOM-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1=O ZINC000591650849 1196523854 /nfs/dbraw/zinc/52/38/54/1196523854.db2.gz MFRFZIVJOVZOOM-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC000591650849 1196523857 /nfs/dbraw/zinc/52/38/57/1196523857.db2.gz MFRFZIVJOVZOOM-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC000591650849 1196523860 /nfs/dbraw/zinc/52/38/60/1196523860.db2.gz MFRFZIVJOVZOOM-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592564488 1196569448 /nfs/dbraw/zinc/56/94/48/1196569448.db2.gz MEJSLSGNDHTIEY-HZPDHXFCSA-N 2 2 361.490 0.902 20 0 FCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592564488 1196569449 /nfs/dbraw/zinc/56/94/49/1196569449.db2.gz MEJSLSGNDHTIEY-HZPDHXFCSA-N 2 2 361.490 0.902 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCN1CCNC1=O ZINC001088868347 1196814125 /nfs/dbraw/zinc/81/41/25/1196814125.db2.gz YBVNXWUUCLORLR-TUVASFSCSA-N 2 2 360.462 0.128 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCN1CCNC1=O ZINC001088868347 1196814126 /nfs/dbraw/zinc/81/41/26/1196814126.db2.gz YBVNXWUUCLORLR-TUVASFSCSA-N 2 2 360.462 0.128 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)Nc1ccon1 ZINC001106069018 1196823083 /nfs/dbraw/zinc/82/30/83/1196823083.db2.gz VHNBEFSANZDKRI-CHWSQXEVSA-N 2 2 360.418 0.653 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000991892552 1196831897 /nfs/dbraw/zinc/83/18/97/1196831897.db2.gz FRSHSFNNCRPNNL-BZUAXINKSA-N 2 2 357.458 0.192 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089074723 1196885578 /nfs/dbraw/zinc/88/55/78/1196885578.db2.gz UNOQURXNNGBOJV-KGLIPLIRSA-N 2 2 360.466 0.446 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCc1nnn(C(C)(C)C)n1 ZINC001089074723 1196885579 /nfs/dbraw/zinc/88/55/79/1196885579.db2.gz UNOQURXNNGBOJV-KGLIPLIRSA-N 2 2 360.466 0.446 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000992157287 1196977346 /nfs/dbraw/zinc/97/73/46/1196977346.db2.gz NTWLSVDKBVSEER-YQEWQEHLSA-N 2 2 361.490 0.704 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2CC(NC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000992157287 1196977354 /nfs/dbraw/zinc/97/73/54/1196977354.db2.gz NTWLSVDKBVSEER-YQEWQEHLSA-N 2 2 361.490 0.704 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992238209 1197029607 /nfs/dbraw/zinc/02/96/07/1197029607.db2.gz DBNZKEVVPNETRF-UMHPPVOVSA-N 2 2 359.474 0.725 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC000992238209 1197029611 /nfs/dbraw/zinc/02/96/11/1197029611.db2.gz DBNZKEVVPNETRF-UMHPPVOVSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C3CN(C)CC[N@H+](C)C3)C2)c1 ZINC000913757313 1197124595 /nfs/dbraw/zinc/12/45/95/1197124595.db2.gz NWNMPHRQHDYLLO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C3CN(C)CC[N@@H+](C)C3)C2)c1 ZINC000913757313 1197124606 /nfs/dbraw/zinc/12/46/06/1197124606.db2.gz NWNMPHRQHDYLLO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3CN(C)CC[NH+](C)C3)C2)c1 ZINC000913757313 1197124614 /nfs/dbraw/zinc/12/46/14/1197124614.db2.gz NWNMPHRQHDYLLO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3CN(C)CC[NH+](C)C3)C2)c1 ZINC000913757313 1197124623 /nfs/dbraw/zinc/12/46/23/1197124623.db2.gz NWNMPHRQHDYLLO-HXUWFJFHSA-N 2 2 374.529 0.805 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000914028997 1197207654 /nfs/dbraw/zinc/20/76/54/1197207654.db2.gz IXHJVGWWDCJVJH-QGZVFWFLSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000914028997 1197207666 /nfs/dbraw/zinc/20/76/66/1197207666.db2.gz IXHJVGWWDCJVJH-QGZVFWFLSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000992685450 1197300817 /nfs/dbraw/zinc/30/08/17/1197300817.db2.gz CAKCMLBMTJVORZ-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000992685450 1197300821 /nfs/dbraw/zinc/30/08/21/1197300821.db2.gz CAKCMLBMTJVORZ-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199295 1197648257 /nfs/dbraw/zinc/64/82/57/1197648257.db2.gz TXIWTOZSZCVFGR-ARFHVFGLSA-N 2 2 368.478 0.191 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199295 1197648261 /nfs/dbraw/zinc/64/82/61/1197648261.db2.gz TXIWTOZSZCVFGR-ARFHVFGLSA-N 2 2 368.478 0.191 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992991542 1197650671 /nfs/dbraw/zinc/65/06/71/1197650671.db2.gz VOAHKONBBIMUCH-YVTWGWGSSA-N 2 2 373.501 0.610 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992991542 1197650680 /nfs/dbraw/zinc/65/06/80/1197650680.db2.gz VOAHKONBBIMUCH-YVTWGWGSSA-N 2 2 373.501 0.610 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)CCC1 ZINC000993031747 1197704713 /nfs/dbraw/zinc/70/47/13/1197704713.db2.gz JNUFRFGWBDTDAJ-QAPCUYQASA-N 2 2 359.474 0.674 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085249768 1197747291 /nfs/dbraw/zinc/74/72/91/1197747291.db2.gz QPAJVESSLMVISQ-FVQBIDKESA-N 2 2 357.462 0.791 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993080204 1197802952 /nfs/dbraw/zinc/80/29/52/1197802952.db2.gz GRNKLFHUIRCVBU-TXPKVOOTSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993080204 1197802953 /nfs/dbraw/zinc/80/29/53/1197802953.db2.gz GRNKLFHUIRCVBU-TXPKVOOTSA-N 2 2 359.474 0.674 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)CCC1 ZINC000993080876 1197803964 /nfs/dbraw/zinc/80/39/64/1197803964.db2.gz JNUFRFGWBDTDAJ-MAUKXSAKSA-N 2 2 359.474 0.674 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)CC1 ZINC000993087840 1197812208 /nfs/dbraw/zinc/81/22/08/1197812208.db2.gz WBCALNNCUHRBAH-BEFAXECRSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1)C(N)=O ZINC001085351075 1197838823 /nfs/dbraw/zinc/83/88/23/1197838823.db2.gz OFZXWCGVEXNBKK-BZUAXINKSA-N 2 2 366.506 0.522 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201268 1197840843 /nfs/dbraw/zinc/84/08/43/1197840843.db2.gz YHTFPMDJDDXFEP-BRWVUGGUSA-N 2 2 358.442 0.891 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201268 1197840848 /nfs/dbraw/zinc/84/08/48/1197840848.db2.gz YHTFPMDJDDXFEP-BRWVUGGUSA-N 2 2 358.442 0.891 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000993137205 1197858108 /nfs/dbraw/zinc/85/81/08/1197858108.db2.gz TZSJBRRQTDVDHU-BEFAXECRSA-N 2 2 370.457 0.475 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085394477 1197863006 /nfs/dbraw/zinc/86/30/06/1197863006.db2.gz NBVDMXIERQBYEM-HUUCEWRRSA-N 2 2 363.441 0.741 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343233 1197871882 /nfs/dbraw/zinc/87/18/82/1197871882.db2.gz VJBOBSYKDQZBCB-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106343060 1197872341 /nfs/dbraw/zinc/87/23/41/1197872341.db2.gz OGDFFQMKBLTOKM-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1CCF ZINC001085424253 1197888819 /nfs/dbraw/zinc/88/88/19/1197888819.db2.gz FQKRTNZGFYJDBX-HUUCEWRRSA-N 2 2 363.441 0.970 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000993153770 1197893448 /nfs/dbraw/zinc/89/34/48/1197893448.db2.gz CGPNJASCMVRLCK-HNAYVOBHSA-N 2 2 359.474 0.365 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)o1 ZINC001085429421 1197896077 /nfs/dbraw/zinc/89/60/77/1197896077.db2.gz RNLZWLLKYKZDMA-KFWWJZLASA-N 2 2 365.478 0.870 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)o1 ZINC001085429421 1197896085 /nfs/dbraw/zinc/89/60/85/1197896085.db2.gz RNLZWLLKYKZDMA-KFWWJZLASA-N 2 2 365.478 0.870 20 0 FCADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736152977 1197921552 /nfs/dbraw/zinc/92/15/52/1197921552.db2.gz NMSSERXLVHWGER-QGZVFWFLSA-N 2 2 366.506 0.302 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498509 1197978419 /nfs/dbraw/zinc/97/84/19/1197978419.db2.gz AAMRSYKAGUCWFT-KZNAEPCWSA-N 2 2 366.506 0.991 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001086090719 1198157990 /nfs/dbraw/zinc/15/79/90/1198157990.db2.gz NSTQZMBHGOUSAH-APIJFGDWSA-N 2 2 365.478 0.583 20 0 FCADLP COCCc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001086090719 1198157993 /nfs/dbraw/zinc/15/79/93/1198157993.db2.gz NSTQZMBHGOUSAH-APIJFGDWSA-N 2 2 365.478 0.583 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]cn2C)C1 ZINC001006286146 1198190340 /nfs/dbraw/zinc/19/03/40/1198190340.db2.gz DRXDANSLVNSUMW-AHCXZYCDSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2c[nH+]cn2C)C1 ZINC001006286146 1198190363 /nfs/dbraw/zinc/19/03/63/1198190363.db2.gz DRXDANSLVNSUMW-AHCXZYCDSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001086201012 1198249066 /nfs/dbraw/zinc/24/90/66/1198249066.db2.gz DNDFNTKDCWELTP-YALNPMBYSA-N 2 2 356.474 0.984 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086202167 1198250856 /nfs/dbraw/zinc/25/08/56/1198250856.db2.gz KSCCAXKXZRAEPJ-AYRXBEOTSA-N 2 2 370.461 0.530 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001086202125 1198251562 /nfs/dbraw/zinc/25/15/62/1198251562.db2.gz IYWHIUKYIPSQBB-OCVGTWLNSA-N 2 2 357.462 0.820 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC001086202138 1198252011 /nfs/dbraw/zinc/25/20/11/1198252011.db2.gz JICNEEJSFMWXHT-LXTVHRRPSA-N 2 2 371.489 0.899 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]cn2C)C1 ZINC001006289153 1198252462 /nfs/dbraw/zinc/25/24/62/1198252462.db2.gz PWUGZWSNSNKKFS-SRABZTEZSA-N 2 2 359.474 0.553 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001086202315 1198253115 /nfs/dbraw/zinc/25/31/15/1198253115.db2.gz SQJVVRDCBNANOK-YYIAUSFCSA-N 2 2 369.469 0.907 20 0 FCADLP NC(=O)CC[C@H]([NH3+])CC(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219456190 1224475554 /nfs/dbraw/zinc/47/55/54/1224475554.db2.gz JXKXGKWPXUUSST-FZMZJTMJSA-N 2 2 370.400 0.984 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219454845 1224475670 /nfs/dbraw/zinc/47/56/70/1224475670.db2.gz ZKEKSAXDFRRCCL-DANNLKNASA-N 2 2 366.412 0.951 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400841 1198357822 /nfs/dbraw/zinc/35/78/22/1198357822.db2.gz ZJZXXCBXZSUXJF-XLWJZTARSA-N 2 2 364.494 0.632 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400841 1198357831 /nfs/dbraw/zinc/35/78/31/1198357831.db2.gz ZJZXXCBXZSUXJF-XLWJZTARSA-N 2 2 364.494 0.632 20 0 FCADLP C[C@H](C(=O)N1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1)n1cc[nH+]c1 ZINC001273429930 1198365480 /nfs/dbraw/zinc/36/54/80/1198365480.db2.gz VVQHJCSEWVBFLV-GDBMZVCRSA-N 2 2 359.474 0.845 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219568045 1224512211 /nfs/dbraw/zinc/51/22/11/1224512211.db2.gz XCHIQHGMALUXIU-ROUUACIJSA-N 2 2 365.449 0.961 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001066547456 1198952203 /nfs/dbraw/zinc/95/22/03/1198952203.db2.gz DREJSXMJPFDRJF-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1csc2c1nc(-n1c[nH+]cc1C[C@@H]([NH3+])CO)nc2N1CCOCC1 ZINC001169070866 1199044311 /nfs/dbraw/zinc/04/43/11/1199044311.db2.gz DWJYMLMVUYDEBG-GFCCVEGCSA-N 2 2 374.470 0.884 20 0 FCADLP CCOC(=O)c1cnc2ccc(OC)nc2c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073754 1199044875 /nfs/dbraw/zinc/04/48/75/1199044875.db2.gz BUOHEUZTHTVIHG-LLVKDONJSA-N 2 2 371.397 0.863 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001169124739 1199046258 /nfs/dbraw/zinc/04/62/58/1199046258.db2.gz SOXWXYYKCZPYRP-JFMONLCZSA-N 2 2 358.486 0.803 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001169124739 1199046264 /nfs/dbraw/zinc/04/62/64/1199046264.db2.gz SOXWXYYKCZPYRP-JFMONLCZSA-N 2 2 358.486 0.803 20 0 FCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H](C)C[NH+](C)C ZINC001169161274 1199050299 /nfs/dbraw/zinc/05/02/99/1199050299.db2.gz AVVYAOWUYNINTI-KBPBESRZSA-N 2 2 364.494 0.532 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1 ZINC001169253915 1199058641 /nfs/dbraw/zinc/05/86/41/1199058641.db2.gz NLEWUHNIOORCAZ-UHFFFAOYSA-N 3 2 365.566 0.641 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CO1 ZINC001169410369 1199064882 /nfs/dbraw/zinc/06/48/82/1199064882.db2.gz MUBYECLWHMGFGO-SJORKVTESA-N 2 2 367.490 0.759 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129337703 1199079814 /nfs/dbraw/zinc/07/98/14/1199079814.db2.gz VBCUESSAAWBWKD-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129337703 1199079819 /nfs/dbraw/zinc/07/98/19/1199079819.db2.gz VBCUESSAAWBWKD-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)CC[NH+]1CCOCC1 ZINC000804345440 1199108988 /nfs/dbraw/zinc/10/89/88/1199108988.db2.gz NJNHTGHGUIUGPC-UHFFFAOYSA-N 2 2 374.529 0.985 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC001219694817 1224564233 /nfs/dbraw/zinc/56/42/33/1224564233.db2.gz MZQWQWLXSGYKCB-HOTGVXAUSA-N 2 2 363.458 0.648 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC001219694817 1224564239 /nfs/dbraw/zinc/56/42/39/1224564239.db2.gz MZQWQWLXSGYKCB-HOTGVXAUSA-N 2 2 363.458 0.648 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729165 1224581468 /nfs/dbraw/zinc/58/14/68/1224581468.db2.gz PSTXJPINYPGCBP-FHWLQOOXSA-N 4 2 371.529 0.151 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219729165 1224581477 /nfs/dbraw/zinc/58/14/77/1224581477.db2.gz PSTXJPINYPGCBP-FHWLQOOXSA-N 4 2 371.529 0.151 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1O ZINC001090425836 1200265487 /nfs/dbraw/zinc/26/54/87/1200265487.db2.gz AXQGYHZOPUMSNZ-IAGOWNOFSA-N 2 2 361.490 0.671 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109446060 1200292002 /nfs/dbraw/zinc/29/20/02/1200292002.db2.gz HXAAZVBJBJORAX-BARDWOONSA-N 2 2 365.478 0.036 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001109446060 1200292011 /nfs/dbraw/zinc/29/20/11/1200292011.db2.gz HXAAZVBJBJORAX-BARDWOONSA-N 2 2 365.478 0.036 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001109461110 1200307209 /nfs/dbraw/zinc/30/72/09/1200307209.db2.gz ORTVWOJRFQHPHS-LMSBXDPUSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001109461110 1200307217 /nfs/dbraw/zinc/30/72/17/1200307217.db2.gz ORTVWOJRFQHPHS-LMSBXDPUSA-N 2 2 362.474 0.830 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001109547391 1200373232 /nfs/dbraw/zinc/37/32/32/1200373232.db2.gz XWICTOLOXJKSML-QZWWFDLISA-N 2 2 372.473 0.332 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001109547391 1200373237 /nfs/dbraw/zinc/37/32/37/1200373237.db2.gz XWICTOLOXJKSML-QZWWFDLISA-N 2 2 372.473 0.332 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001109549184 1200375311 /nfs/dbraw/zinc/37/53/11/1200375311.db2.gz ORNVTICZTXLCBW-ILXRZTDVSA-N 2 2 360.462 0.099 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001109549184 1200375317 /nfs/dbraw/zinc/37/53/17/1200375317.db2.gz ORNVTICZTXLCBW-ILXRZTDVSA-N 2 2 360.462 0.099 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639691 1200428493 /nfs/dbraw/zinc/42/84/93/1200428493.db2.gz ZCIMUYQLXBUENR-QZWWFDLISA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639691 1200428501 /nfs/dbraw/zinc/42/85/01/1200428501.db2.gz ZCIMUYQLXBUENR-QZWWFDLISA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639691 1200428505 /nfs/dbraw/zinc/42/85/05/1200428505.db2.gz ZCIMUYQLXBUENR-QZWWFDLISA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639691 1200428512 /nfs/dbraw/zinc/42/85/12/1200428512.db2.gz ZCIMUYQLXBUENR-QZWWFDLISA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109651407 1200444123 /nfs/dbraw/zinc/44/41/23/1200444123.db2.gz ZGCJKVPAAADSIK-MVJTYMMSSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109651407 1200444128 /nfs/dbraw/zinc/44/41/28/1200444128.db2.gz ZGCJKVPAAADSIK-MVJTYMMSSA-N 2 2 373.501 0.954 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109653167 1200445891 /nfs/dbraw/zinc/44/58/91/1200445891.db2.gz PUQIYDYYIVOZLI-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109653167 1200445897 /nfs/dbraw/zinc/44/58/97/1200445897.db2.gz PUQIYDYYIVOZLI-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001109669190 1200458273 /nfs/dbraw/zinc/45/82/73/1200458273.db2.gz RMLKSTOYCXJXCH-ZSGPHXLJSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2)C1CC1 ZINC001109669190 1200458280 /nfs/dbraw/zinc/45/82/80/1200458280.db2.gz RMLKSTOYCXJXCH-ZSGPHXLJSA-N 2 2 362.518 0.964 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@@H]2O)CCC1 ZINC001219798182 1224618134 /nfs/dbraw/zinc/61/81/34/1224618134.db2.gz HJPNTIWNQVIMIC-ZACQAIPSSA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@@H]2O)CCC1 ZINC001219798182 1224618137 /nfs/dbraw/zinc/61/81/37/1224618137.db2.gz HJPNTIWNQVIMIC-ZACQAIPSSA-N 2 2 365.449 0.505 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001109865433 1200576877 /nfs/dbraw/zinc/57/68/77/1200576877.db2.gz PNGSODMMFIZUNK-PMPSAXMXSA-N 2 2 372.473 0.586 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001109865433 1200576881 /nfs/dbraw/zinc/57/68/81/1200576881.db2.gz PNGSODMMFIZUNK-PMPSAXMXSA-N 2 2 372.473 0.586 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)C1CC1 ZINC001219803732 1224622183 /nfs/dbraw/zinc/62/21/83/1224622183.db2.gz DWRVQDOHIWHOLP-FGTMMUONSA-N 2 2 365.449 0.320 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)C1CC1 ZINC001219803732 1224622188 /nfs/dbraw/zinc/62/21/88/1224622188.db2.gz DWRVQDOHIWHOLP-FGTMMUONSA-N 2 2 365.449 0.320 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219803663 1224622348 /nfs/dbraw/zinc/62/23/48/1224622348.db2.gz CNGGBWVMYGECRX-SOLBZPMBSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)n1 ZINC001219803663 1224622358 /nfs/dbraw/zinc/62/23/58/1224622358.db2.gz CNGGBWVMYGECRX-SOLBZPMBSA-N 2 2 362.474 0.482 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001109975909 1200657548 /nfs/dbraw/zinc/65/75/48/1200657548.db2.gz JJDOEIIOCNAHQI-UBDQQSCGSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1 ZINC001109975909 1200657555 /nfs/dbraw/zinc/65/75/55/1200657555.db2.gz JJDOEIIOCNAHQI-UBDQQSCGSA-N 2 2 362.474 0.880 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109977266 1200660574 /nfs/dbraw/zinc/66/05/74/1200660574.db2.gz ATSWSGVZPJRRKJ-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109977266 1200660578 /nfs/dbraw/zinc/66/05/78/1200660578.db2.gz ATSWSGVZPJRRKJ-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053596 1200739483 /nfs/dbraw/zinc/73/94/83/1200739483.db2.gz NNHZSOVRODWLPJ-BSWAZPDLSA-N 2 2 359.474 0.695 20 0 FCADLP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH+]cn2C)C3)C1=O ZINC001110053596 1200739485 /nfs/dbraw/zinc/73/94/85/1200739485.db2.gz NNHZSOVRODWLPJ-BSWAZPDLSA-N 2 2 359.474 0.695 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cc1F ZINC001219812100 1224628744 /nfs/dbraw/zinc/62/87/44/1224628744.db2.gz MKQZMVXUKPROJB-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cc1F ZINC001219812100 1224628752 /nfs/dbraw/zinc/62/87/52/1224628752.db2.gz MKQZMVXUKPROJB-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)cc1F ZINC001219812100 1224628759 /nfs/dbraw/zinc/62/87/59/1224628759.db2.gz MKQZMVXUKPROJB-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)cc1F ZINC001219812100 1224628762 /nfs/dbraw/zinc/62/87/62/1224628762.db2.gz MKQZMVXUKPROJB-SJORKVTESA-N 2 2 365.449 0.980 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CCC1 ZINC001219813817 1224630375 /nfs/dbraw/zinc/63/03/75/1224630375.db2.gz GVBMWMDTXJQQPU-SJORKVTESA-N 2 2 363.506 0.784 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CCC1 ZINC001219813817 1224630380 /nfs/dbraw/zinc/63/03/80/1224630380.db2.gz GVBMWMDTXJQQPU-SJORKVTESA-N 2 2 363.506 0.784 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1O)C1CCC1 ZINC001219813817 1224630384 /nfs/dbraw/zinc/63/03/84/1224630384.db2.gz GVBMWMDTXJQQPU-SJORKVTESA-N 2 2 363.506 0.784 20 0 FCADLP COC[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563395 1200796613 /nfs/dbraw/zinc/79/66/13/1200796613.db2.gz TXKMRNJTQFSIRL-KHYOSLBOSA-N 2 2 364.490 0.913 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001112590067 1200829251 /nfs/dbraw/zinc/82/92/51/1200829251.db2.gz AXTJBQTVMRXGMI-FCEWJHQRSA-N 2 2 359.474 0.770 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNC(=O)C2CC2)C1 ZINC001112590787 1200830044 /nfs/dbraw/zinc/83/00/44/1200830044.db2.gz QFWMSBHTFHUEMJ-LPHOPBHVSA-N 2 2 359.474 0.628 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000788564108 1200966238 /nfs/dbraw/zinc/96/62/38/1200966238.db2.gz PHYWEHPEOCSXNM-BZUAXINKSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000788564108 1200966244 /nfs/dbraw/zinc/96/62/44/1200966244.db2.gz PHYWEHPEOCSXNM-BZUAXINKSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000790273229 1201064429 /nfs/dbraw/zinc/06/44/29/1201064429.db2.gz CRKGYZBQSSBUTR-OWCLPIDISA-N 2 2 359.474 0.869 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000790273229 1201064433 /nfs/dbraw/zinc/06/44/33/1201064433.db2.gz CRKGYZBQSSBUTR-OWCLPIDISA-N 2 2 359.474 0.869 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC001086589238 1201098527 /nfs/dbraw/zinc/09/85/27/1201098527.db2.gz OJQZHESAILKIGS-WNRNVDISSA-N 2 2 358.486 0.786 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001086589238 1201098533 /nfs/dbraw/zinc/09/85/33/1201098533.db2.gz OJQZHESAILKIGS-WNRNVDISSA-N 2 2 358.486 0.786 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086589238 1201098537 /nfs/dbraw/zinc/09/85/37/1201098537.db2.gz OJQZHESAILKIGS-WNRNVDISSA-N 2 2 358.486 0.786 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086589238 1201098542 /nfs/dbraw/zinc/09/85/42/1201098542.db2.gz OJQZHESAILKIGS-WNRNVDISSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1nnnn1C1CC1)c1nnnn1C1CC1 ZINC000792472195 1201195604 /nfs/dbraw/zinc/19/56/04/1201195604.db2.gz CRAUEXCZNZKPSA-XVGAQQEPSA-N 2 2 358.454 0.887 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609543 1201217038 /nfs/dbraw/zinc/21/70/38/1201217038.db2.gz LPMDIVAXOHMAAG-BPQIPLTHSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609543 1201217040 /nfs/dbraw/zinc/21/70/40/1201217040.db2.gz LPMDIVAXOHMAAG-BPQIPLTHSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001086609543 1201217045 /nfs/dbraw/zinc/21/70/45/1201217045.db2.gz LPMDIVAXOHMAAG-BPQIPLTHSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001086609543 1201217056 /nfs/dbraw/zinc/21/70/56/1201217056.db2.gz LPMDIVAXOHMAAG-BPQIPLTHSA-N 2 2 358.486 0.801 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001219869969 1224663502 /nfs/dbraw/zinc/66/35/02/1224663502.db2.gz WEVSPSLDBWELES-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001219869969 1224663505 /nfs/dbraw/zinc/66/35/05/1224663505.db2.gz WEVSPSLDBWELES-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412398 1201301046 /nfs/dbraw/zinc/30/10/46/1201301046.db2.gz QBQQOMFHAWLPRQ-BMFZPTHFSA-N 2 2 363.441 0.734 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129403745 1201307956 /nfs/dbraw/zinc/30/79/56/1201307956.db2.gz HJTKWBBPLUJSDB-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129403745 1201307961 /nfs/dbraw/zinc/30/79/61/1201307961.db2.gz HJTKWBBPLUJSDB-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129403745 1201307965 /nfs/dbraw/zinc/30/79/65/1201307965.db2.gz HJTKWBBPLUJSDB-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001129403745 1201307971 /nfs/dbraw/zinc/30/79/71/1201307971.db2.gz HJTKWBBPLUJSDB-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129403748 1201308061 /nfs/dbraw/zinc/30/80/61/1201308061.db2.gz HLZVSFJYRNKGJF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129403748 1201308064 /nfs/dbraw/zinc/30/80/64/1201308064.db2.gz HLZVSFJYRNKGJF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129403748 1201308069 /nfs/dbraw/zinc/30/80/69/1201308069.db2.gz HLZVSFJYRNKGJF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129403748 1201308071 /nfs/dbraw/zinc/30/80/71/1201308071.db2.gz HLZVSFJYRNKGJF-MSOLQXFVSA-N 2 2 371.489 0.865 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129403617 1201308304 /nfs/dbraw/zinc/30/83/04/1201308304.db2.gz FJTPLHGDWKVNGL-WQVCFCJDSA-N 2 2 361.450 0.055 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129403617 1201308308 /nfs/dbraw/zinc/30/83/08/1201308308.db2.gz FJTPLHGDWKVNGL-WQVCFCJDSA-N 2 2 361.450 0.055 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460763 1201327844 /nfs/dbraw/zinc/32/78/44/1201327844.db2.gz NWZLAPDDXSVFGL-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460763 1201327849 /nfs/dbraw/zinc/32/78/49/1201327849.db2.gz NWZLAPDDXSVFGL-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460763 1201327854 /nfs/dbraw/zinc/32/78/54/1201327854.db2.gz NWZLAPDDXSVFGL-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460763 1201327858 /nfs/dbraw/zinc/32/78/58/1201327858.db2.gz NWZLAPDDXSVFGL-MSOLQXFVSA-N 2 2 371.489 0.863 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086623459 1201348510 /nfs/dbraw/zinc/34/85/10/1201348510.db2.gz FEQRJMUNQAAPCA-OTWHNJEPSA-N 2 2 370.497 0.945 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1c1ccccc1 ZINC001086623459 1201348517 /nfs/dbraw/zinc/34/85/17/1201348517.db2.gz FEQRJMUNQAAPCA-OTWHNJEPSA-N 2 2 370.497 0.945 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)NC(=O)NC(C)(C)C ZINC001129891094 1201415001 /nfs/dbraw/zinc/41/50/01/1201415001.db2.gz BRXISCUBKHRZFP-IJLUTSLNSA-N 2 2 364.450 0.232 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001129907144 1201421878 /nfs/dbraw/zinc/42/18/78/1201421878.db2.gz STOSTUTYYZHZKX-CABCVRRESA-N 2 2 362.409 0.626 20 0 FCADLP [NH3+]C1(C(=O)NC[C@H]2Cn3nnc(-c4cccc(F)c4)c3CO2)CC[NH2+]CC1 ZINC001219901057 1224675322 /nfs/dbraw/zinc/67/53/22/1224675322.db2.gz BVWPHTSJWQLCNZ-AWEZNQCLSA-N 2 2 374.420 0.180 20 0 FCADLP CCCCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001130057014 1201484382 /nfs/dbraw/zinc/48/43/82/1201484382.db2.gz DYTUWHLSDJGKMH-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP Cc1ccoc1-c1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001130182709 1201535104 /nfs/dbraw/zinc/53/51/04/1201535104.db2.gz UJLFZCJFTNWMSM-CHWSQXEVSA-N 2 2 363.418 0.563 20 0 FCADLP Cc1ccoc1-c1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001130182709 1201535107 /nfs/dbraw/zinc/53/51/07/1201535107.db2.gz UJLFZCJFTNWMSM-CHWSQXEVSA-N 2 2 363.418 0.563 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 ZINC001130222776 1201551784 /nfs/dbraw/zinc/55/17/84/1201551784.db2.gz FJENMIJHYZVTHG-KBPBESRZSA-N 2 2 361.450 0.497 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]C(C)C)[nH]1 ZINC001130222776 1201551787 /nfs/dbraw/zinc/55/17/87/1201551787.db2.gz FJENMIJHYZVTHG-KBPBESRZSA-N 2 2 361.450 0.497 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)ncn1 ZINC001219920022 1224681742 /nfs/dbraw/zinc/68/17/42/1224681742.db2.gz XRTDLDIWBSVDNM-MSOLQXFVSA-N 2 2 370.457 0.368 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)ncn1 ZINC001219920022 1224681746 /nfs/dbraw/zinc/68/17/46/1224681746.db2.gz XRTDLDIWBSVDNM-MSOLQXFVSA-N 2 2 370.457 0.368 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130248978 1201568634 /nfs/dbraw/zinc/56/86/34/1201568634.db2.gz CZONMKAOOBDHLU-GJZGRUSLSA-N 2 2 364.494 0.635 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130248978 1201568636 /nfs/dbraw/zinc/56/86/36/1201568636.db2.gz CZONMKAOOBDHLU-GJZGRUSLSA-N 2 2 364.494 0.635 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001219959465 1224701182 /nfs/dbraw/zinc/70/11/82/1224701182.db2.gz WFAAOKWVNMIZHC-SFHVURJKSA-N 3 2 356.474 0.358 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])Cc2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC001219965747 1224704444 /nfs/dbraw/zinc/70/44/44/1224704444.db2.gz ZHWRERAXBRKTGK-MCIONIFRSA-N 2 2 373.375 0.985 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C2=CC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]1 ZINC001219965508 1224704503 /nfs/dbraw/zinc/70/45/03/1224704503.db2.gz PZKONCRIRRZICA-DYVFJYSZSA-N 2 2 355.438 0.725 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130721430 1202766559 /nfs/dbraw/zinc/76/65/59/1202766559.db2.gz HFECJKOOXRGWTG-DOTOQJQBSA-N 2 2 360.462 0.317 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1)C1CC1 ZINC001220072192 1224745342 /nfs/dbraw/zinc/74/53/42/1224745342.db2.gz JUUOSKMERFNCAA-CVEARBPZSA-N 2 2 366.506 0.033 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1)C1CC1 ZINC001220072192 1224745346 /nfs/dbraw/zinc/74/53/46/1224745346.db2.gz JUUOSKMERFNCAA-CVEARBPZSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809130 1202802460 /nfs/dbraw/zinc/80/24/60/1202802460.db2.gz IHZUGJDQJKKOEP-SOUVJXGZSA-N 2 2 364.494 0.982 20 0 FCADLP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809130 1202802462 /nfs/dbraw/zinc/80/24/62/1202802462.db2.gz IHZUGJDQJKKOEP-SOUVJXGZSA-N 2 2 364.494 0.982 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131038464 1202849668 /nfs/dbraw/zinc/84/96/68/1202849668.db2.gz SXXJMIAFBSXKQJ-BZUAXINKSA-N 2 2 360.462 0.626 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001131079462 1202860092 /nfs/dbraw/zinc/86/00/92/1202860092.db2.gz MQFKEWQFMFSPHJ-BZUAXINKSA-N 2 2 360.462 0.534 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131117807 1202865047 /nfs/dbraw/zinc/86/50/47/1202865047.db2.gz SZUKOFVPGDRLFG-HZPDHXFCSA-N 2 2 360.462 0.317 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001131130595 1202869280 /nfs/dbraw/zinc/86/92/80/1202869280.db2.gz UYJPQISMSVIYBB-HUUCEWRRSA-N 2 2 361.450 0.228 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001131130595 1202869282 /nfs/dbraw/zinc/86/92/82/1202869282.db2.gz UYJPQISMSVIYBB-HUUCEWRRSA-N 2 2 361.450 0.228 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000747471786 1202877562 /nfs/dbraw/zinc/87/75/62/1202877562.db2.gz VQKFPZXEINWLBB-OAHLLOKOSA-N 2 2 368.478 0.823 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)C1 ZINC000747471786 1202877563 /nfs/dbraw/zinc/87/75/63/1202877563.db2.gz VQKFPZXEINWLBB-OAHLLOKOSA-N 2 2 368.478 0.823 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664711 1202887053 /nfs/dbraw/zinc/88/70/53/1202887053.db2.gz BCXXOCCZVDLHBO-ARFHVFGLSA-N 2 2 364.494 0.312 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664711 1202887055 /nfs/dbraw/zinc/88/70/55/1202887055.db2.gz BCXXOCCZVDLHBO-ARFHVFGLSA-N 2 2 364.494 0.312 20 0 FCADLP O=C(NCC[NH2+]Cc1cncc(F)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610646 1202921231 /nfs/dbraw/zinc/92/12/31/1202921231.db2.gz AVHMVQHNHOQHAA-SJORKVTESA-N 2 2 366.437 0.306 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1cnccn1 ZINC001131613735 1202921558 /nfs/dbraw/zinc/92/15/58/1202921558.db2.gz LUXFJRIDQTXEAM-UXLLHSPISA-N 2 2 363.462 0.123 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001134043013 1203010936 /nfs/dbraw/zinc/01/09/36/1203010936.db2.gz QGIIOQNJSQYGDL-ZIAGYGMSSA-N 2 2 356.430 0.803 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1)N1CCC1 ZINC001086736551 1203062272 /nfs/dbraw/zinc/06/22/72/1203062272.db2.gz UTPGLIJPPHXRQW-HRCADAONSA-N 2 2 359.474 0.552 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736662 1203062625 /nfs/dbraw/zinc/06/26/25/1203062625.db2.gz YWKUUBNDXABBFR-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736325 1203062658 /nfs/dbraw/zinc/06/26/58/1203062658.db2.gz LRGZQAMUHBFUAO-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000817426450 1203105926 /nfs/dbraw/zinc/10/59/26/1203105926.db2.gz BAEQFCUIFBWCAS-INIZCTEOSA-N 2 2 370.457 0.745 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cn1 ZINC000817426450 1203105930 /nfs/dbraw/zinc/10/59/30/1203105930.db2.gz BAEQFCUIFBWCAS-INIZCTEOSA-N 2 2 370.457 0.745 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)c1ccccc1 ZINC001220106021 1224766120 /nfs/dbraw/zinc/76/61/20/1224766120.db2.gz XCRJQKAYCQIDEU-FGTMMUONSA-N 2 2 358.442 0.822 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)c1ccccc1 ZINC001220106021 1224766125 /nfs/dbraw/zinc/76/61/25/1224766125.db2.gz XCRJQKAYCQIDEU-FGTMMUONSA-N 2 2 358.442 0.822 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000820296594 1203183173 /nfs/dbraw/zinc/18/31/73/1203183173.db2.gz WGWPABCXCDKGNR-HUUCEWRRSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000820296594 1203183179 /nfs/dbraw/zinc/18/31/79/1203183179.db2.gz WGWPABCXCDKGNR-HUUCEWRRSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000820296594 1203183182 /nfs/dbraw/zinc/18/31/82/1203183182.db2.gz WGWPABCXCDKGNR-HUUCEWRRSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]ccc2C(=O)N2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000820296594 1203183186 /nfs/dbraw/zinc/18/31/86/1203183186.db2.gz WGWPABCXCDKGNR-HUUCEWRRSA-N 2 2 361.490 0.496 20 0 FCADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000822851452 1203238275 /nfs/dbraw/zinc/23/82/75/1203238275.db2.gz WNOYOASNBKLCJU-CQSZACIVSA-N 2 2 352.402 0.996 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119152 1224777288 /nfs/dbraw/zinc/77/72/88/1224777288.db2.gz CFKDUIBSMHVOHM-XHSDSOJGSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119152 1224777291 /nfs/dbraw/zinc/77/72/91/1224777291.db2.gz CFKDUIBSMHVOHM-XHSDSOJGSA-N 2 2 368.522 0.277 20 0 FCADLP C[N@H+](C1CN(C(=O)[C@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671508 1203324073 /nfs/dbraw/zinc/32/40/73/1203324073.db2.gz SJVMPROUMSZHGW-YTQUADARSA-N 2 2 359.470 0.553 20 0 FCADLP C[N@@H+](C1CN(C(=O)[C@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671508 1203324076 /nfs/dbraw/zinc/32/40/76/1203324076.db2.gz SJVMPROUMSZHGW-YTQUADARSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671508 1203324079 /nfs/dbraw/zinc/32/40/79/1203324079.db2.gz SJVMPROUMSZHGW-YTQUADARSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671508 1203324082 /nfs/dbraw/zinc/32/40/82/1203324082.db2.gz SJVMPROUMSZHGW-YTQUADARSA-N 2 2 359.470 0.553 20 0 FCADLP COC(=O)[C@]1(NC(=O)C2([NH3+])CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228158 1224809513 /nfs/dbraw/zinc/80/95/13/1224809513.db2.gz BYSJUBLBTLCXSB-IBGZPJMESA-N 3 2 360.458 0.001 20 0 FCADLP COC(=O)[C@]1(NC(=O)C2([NH3+])CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228158 1224809515 /nfs/dbraw/zinc/80/95/15/1224809515.db2.gz BYSJUBLBTLCXSB-IBGZPJMESA-N 3 2 360.458 0.001 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1O)CC2 ZINC001220229015 1224810316 /nfs/dbraw/zinc/81/03/16/1224810316.db2.gz JHAHHQQABDEQQG-NXHRZFHOSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O)CC2 ZINC001220229015 1224810319 /nfs/dbraw/zinc/81/03/19/1224810319.db2.gz JHAHHQQABDEQQG-NXHRZFHOSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1O)CC2 ZINC001220229014 1224810591 /nfs/dbraw/zinc/81/05/91/1224810591.db2.gz JHAHHQQABDEQQG-JQHSSLGASA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O)CC2 ZINC001220229014 1224810592 /nfs/dbraw/zinc/81/05/92/1224810592.db2.gz JHAHHQQABDEQQG-JQHSSLGASA-N 2 2 364.490 0.588 20 0 FCADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234080 1224811626 /nfs/dbraw/zinc/81/16/26/1224811626.db2.gz SXGBYLBVVMHNNW-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234080 1224811628 /nfs/dbraw/zinc/81/16/28/1224811628.db2.gz SXGBYLBVVMHNNW-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233976 1224811898 /nfs/dbraw/zinc/81/18/98/1224811898.db2.gz OGEOLXAQFRLGFN-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233976 1224811900 /nfs/dbraw/zinc/81/19/00/1224811900.db2.gz OGEOLXAQFRLGFN-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@@H](O)C1 ZINC001220271882 1224817901 /nfs/dbraw/zinc/81/79/01/1224817901.db2.gz KSJAFMRTMUBJOL-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@@H](O)C1 ZINC001220271882 1224817903 /nfs/dbraw/zinc/81/79/03/1224817903.db2.gz KSJAFMRTMUBJOL-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP CCC(CC)C[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220271882 1224817904 /nfs/dbraw/zinc/81/79/04/1224817904.db2.gz KSJAFMRTMUBJOL-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220271882 1224817906 /nfs/dbraw/zinc/81/79/06/1224817906.db2.gz KSJAFMRTMUBJOL-BBWFWOEESA-N 2 2 365.478 0.054 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@@H]1O ZINC001220277110 1224819357 /nfs/dbraw/zinc/81/93/57/1224819357.db2.gz QTXYPGNWUHRIKR-IKGGRYGDSA-N 2 2 360.458 0.053 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)C[C@@H]1O ZINC001220277110 1224819361 /nfs/dbraw/zinc/81/93/61/1224819361.db2.gz QTXYPGNWUHRIKR-IKGGRYGDSA-N 2 2 360.458 0.053 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)C(=O)OCc1ccccc1 ZINC001220315365 1224826272 /nfs/dbraw/zinc/82/62/72/1224826272.db2.gz BSWLOAFISRFYMA-MDZRGWNJSA-N 2 2 361.442 0.475 20 0 FCADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144136977 1204424249 /nfs/dbraw/zinc/42/42/49/1204424249.db2.gz OXIKMYRIKDMSGH-HNNXBMFYSA-N 2 2 361.446 0.088 20 0 FCADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144136977 1204424256 /nfs/dbraw/zinc/42/42/56/1204424256.db2.gz OXIKMYRIKDMSGH-HNNXBMFYSA-N 2 2 361.446 0.088 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001144350386 1204473093 /nfs/dbraw/zinc/47/30/93/1204473093.db2.gz SNFWKYJVKHXZEP-SFHVURJKSA-N 2 2 373.501 0.801 20 0 FCADLP CC(C)n1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001091096902 1204514775 /nfs/dbraw/zinc/51/47/75/1204514775.db2.gz FFGNJWUEPJFVPJ-ARAOSMHQSA-N 2 2 364.494 0.563 20 0 FCADLP CC(C)n1cc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001091096902 1204514779 /nfs/dbraw/zinc/51/47/79/1204514779.db2.gz FFGNJWUEPJFVPJ-ARAOSMHQSA-N 2 2 364.494 0.563 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1O ZINC001091128950 1204533453 /nfs/dbraw/zinc/53/34/53/1204533453.db2.gz OSCRAFHXYOUOPR-SJORKVTESA-N 2 2 361.490 0.671 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1O ZINC001091128950 1204533457 /nfs/dbraw/zinc/53/34/57/1204533457.db2.gz OSCRAFHXYOUOPR-SJORKVTESA-N 2 2 361.490 0.671 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357417 1224842103 /nfs/dbraw/zinc/84/21/03/1224842103.db2.gz INMWHSUSJSLJAT-SJORKVTESA-N 2 2 366.462 0.472 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001220357417 1224842105 /nfs/dbraw/zinc/84/21/05/1224842105.db2.gz INMWHSUSJSLJAT-SJORKVTESA-N 2 2 366.462 0.472 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565212 1204725708 /nfs/dbraw/zinc/72/57/08/1204725708.db2.gz GHTKPILGPSZUKI-AYBZRNKSSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565212 1204725714 /nfs/dbraw/zinc/72/57/14/1204725714.db2.gz GHTKPILGPSZUKI-AYBZRNKSSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565212 1204725716 /nfs/dbraw/zinc/72/57/16/1204725716.db2.gz GHTKPILGPSZUKI-AYBZRNKSSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)n1 ZINC001091565212 1204725721 /nfs/dbraw/zinc/72/57/21/1204725721.db2.gz GHTKPILGPSZUKI-AYBZRNKSSA-N 2 2 361.490 0.514 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565239 1204725882 /nfs/dbraw/zinc/72/58/82/1204725882.db2.gz HBAVYVZBSBFHMV-SUMDDJOVSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565239 1204725888 /nfs/dbraw/zinc/72/58/88/1204725888.db2.gz HBAVYVZBSBFHMV-SUMDDJOVSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565239 1204725890 /nfs/dbraw/zinc/72/58/90/1204725890.db2.gz HBAVYVZBSBFHMV-SUMDDJOVSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565239 1204725894 /nfs/dbraw/zinc/72/58/94/1204725894.db2.gz HBAVYVZBSBFHMV-SUMDDJOVSA-N 2 2 362.474 0.848 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565089 1204726586 /nfs/dbraw/zinc/72/65/86/1204726586.db2.gz DSTJTPOSOVGLDO-LMMKCTJWSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565089 1204726589 /nfs/dbraw/zinc/72/65/89/1204726589.db2.gz DSTJTPOSOVGLDO-LMMKCTJWSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565089 1204726593 /nfs/dbraw/zinc/72/65/93/1204726593.db2.gz DSTJTPOSOVGLDO-LMMKCTJWSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565089 1204726595 /nfs/dbraw/zinc/72/65/95/1204726595.db2.gz DSTJTPOSOVGLDO-LMMKCTJWSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565783 1204727171 /nfs/dbraw/zinc/72/71/71/1204727171.db2.gz ZAFUFTRFFMEVOV-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565783 1204727183 /nfs/dbraw/zinc/72/71/83/1204727183.db2.gz ZAFUFTRFFMEVOV-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565783 1204727188 /nfs/dbraw/zinc/72/71/88/1204727188.db2.gz ZAFUFTRFFMEVOV-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565783 1204727192 /nfs/dbraw/zinc/72/71/92/1204727192.db2.gz ZAFUFTRFFMEVOV-AYBZRNKSSA-N 2 2 359.474 0.396 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091683383 1204821089 /nfs/dbraw/zinc/82/10/89/1204821089.db2.gz ODXDSWQBZBOUEE-UMHPPVOVSA-N 2 2 373.505 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091683383 1204821091 /nfs/dbraw/zinc/82/10/91/1204821091.db2.gz ODXDSWQBZBOUEE-UMHPPVOVSA-N 2 2 373.505 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683383 1204821092 /nfs/dbraw/zinc/82/10/92/1204821092.db2.gz ODXDSWQBZBOUEE-UMHPPVOVSA-N 2 2 373.505 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nnnn4C4CC4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091683383 1204821093 /nfs/dbraw/zinc/82/10/93/1204821093.db2.gz ODXDSWQBZBOUEE-UMHPPVOVSA-N 2 2 373.505 0.629 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148297860 1204826004 /nfs/dbraw/zinc/82/60/04/1204826004.db2.gz DQGLKOTXCMKAGW-HUUCEWRRSA-N 2 2 359.474 0.583 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148297860 1204826005 /nfs/dbraw/zinc/82/60/05/1204826005.db2.gz DQGLKOTXCMKAGW-HUUCEWRRSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754738 1204843954 /nfs/dbraw/zinc/84/39/54/1204843954.db2.gz YIDNPCLYTBPJCB-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754738 1204843956 /nfs/dbraw/zinc/84/39/56/1204843956.db2.gz YIDNPCLYTBPJCB-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754738 1204843957 /nfs/dbraw/zinc/84/39/57/1204843957.db2.gz YIDNPCLYTBPJCB-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754738 1204843958 /nfs/dbraw/zinc/84/39/58/1204843958.db2.gz YIDNPCLYTBPJCB-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2[NH2+]CCO)cn1 ZINC001086984518 1204879221 /nfs/dbraw/zinc/87/92/21/1204879221.db2.gz QYGHAQDJLPTNJP-WMLDXEAASA-N 2 2 354.414 0.487 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@H]2[NH2+]CCO)cn1 ZINC001086996268 1204886878 /nfs/dbraw/zinc/88/68/78/1204886878.db2.gz WOLYKNNMTKQMIY-OFQRWUPVSA-N 2 2 358.446 0.140 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001087012083 1204898444 /nfs/dbraw/zinc/89/84/44/1204898444.db2.gz DNEQRNRZNPLPSQ-DLBZAZTESA-N 2 2 368.445 0.135 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]C[C@@H]2CCOC2)cn1 ZINC001087012027 1204898521 /nfs/dbraw/zinc/89/85/21/1204898521.db2.gz BBWPUSJKQBHDGE-BHYGNILZSA-N 2 2 358.446 0.237 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2nccn2C)cn1 ZINC001087012260 1204898958 /nfs/dbraw/zinc/89/89/58/1204898958.db2.gz NYYBARHKMGTWSP-JKSUJKDBSA-N 2 2 368.445 0.135 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087066807 1204955054 /nfs/dbraw/zinc/95/50/54/1204955054.db2.gz WFVAXEVBNLBOQX-IIAWOOMASA-N 2 2 371.441 0.290 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nonc1C ZINC001087070919 1204958933 /nfs/dbraw/zinc/95/89/33/1204958933.db2.gz PYPAVMHOFXYWQE-GDBMZVCRSA-N 2 2 362.434 0.618 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087058977 1204966893 /nfs/dbraw/zinc/96/68/93/1204966893.db2.gz KACPZOBARLJJFN-NVXWUHKLSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087058977 1204966894 /nfs/dbraw/zinc/96/68/94/1204966894.db2.gz KACPZOBARLJJFN-NVXWUHKLSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087099036 1204993971 /nfs/dbraw/zinc/99/39/71/1204993971.db2.gz ALOWDSZRXOSYIU-JFIYKMOQSA-N 2 2 364.490 0.842 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001087103442 1205000468 /nfs/dbraw/zinc/00/04/68/1205000468.db2.gz HFEYPIVANRHGDW-NVXWUHKLSA-N 2 2 358.446 0.635 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H](C)c1cnccn1 ZINC001087103461 1205001351 /nfs/dbraw/zinc/00/13/51/1205001351.db2.gz IBWJVFGNHUPTDF-ZMSDIMECSA-N 2 2 358.446 0.887 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ncccn4)C[C@@]3(C)C2)O1 ZINC001091782797 1205027783 /nfs/dbraw/zinc/02/77/83/1205027783.db2.gz GQAFRVMIWUETAD-NNFUDEMPSA-N 2 2 359.474 0.476 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ncccn4)C[C@@]3(C)C2)O1 ZINC001091782797 1205027787 /nfs/dbraw/zinc/02/77/87/1205027787.db2.gz GQAFRVMIWUETAD-NNFUDEMPSA-N 2 2 359.474 0.476 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ncccn4)C[C@@]3(C)C2)O1 ZINC001091782797 1205027791 /nfs/dbraw/zinc/02/77/91/1205027791.db2.gz GQAFRVMIWUETAD-NNFUDEMPSA-N 2 2 359.474 0.476 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ncccn4)C[C@@]3(C)C2)O1 ZINC001091782797 1205027795 /nfs/dbraw/zinc/02/77/95/1205027795.db2.gz GQAFRVMIWUETAD-NNFUDEMPSA-N 2 2 359.474 0.476 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002254 1205099693 /nfs/dbraw/zinc/09/96/93/1205099693.db2.gz BHBNWYHWZAGDTH-LPMFXHHGSA-N 2 2 359.474 0.698 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@]2(C)C1 ZINC001092002254 1205099694 /nfs/dbraw/zinc/09/96/94/1205099694.db2.gz BHBNWYHWZAGDTH-LPMFXHHGSA-N 2 2 359.474 0.698 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001092023266 1205120315 /nfs/dbraw/zinc/12/03/15/1205120315.db2.gz WFOARAXQJOCZSF-VKJFTORMSA-N 2 2 363.510 0.875 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1)[NH+](C)C ZINC001092023266 1205120320 /nfs/dbraw/zinc/12/03/20/1205120320.db2.gz WFOARAXQJOCZSF-VKJFTORMSA-N 2 2 363.510 0.875 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)nn1 ZINC001092052876 1205126064 /nfs/dbraw/zinc/12/60/64/1205126064.db2.gz RBSQUVSKSLDMRP-ACJLOTCBSA-N 2 2 356.430 0.731 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)nn1 ZINC001092052876 1205126070 /nfs/dbraw/zinc/12/60/70/1205126070.db2.gz RBSQUVSKSLDMRP-ACJLOTCBSA-N 2 2 356.430 0.731 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC1 ZINC001092129067 1205168732 /nfs/dbraw/zinc/16/87/32/1205168732.db2.gz FOQFKEIUZWXOQR-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC1 ZINC001092129067 1205168733 /nfs/dbraw/zinc/16/87/33/1205168733.db2.gz FOQFKEIUZWXOQR-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP C[C@]12CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092135069 1205177908 /nfs/dbraw/zinc/17/79/08/1205177908.db2.gz AAHKQOFNEGXADJ-KDOFPFPSSA-N 2 2 354.414 0.147 20 0 FCADLP C[C@]12CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092135069 1205177910 /nfs/dbraw/zinc/17/79/10/1205177910.db2.gz AAHKQOFNEGXADJ-KDOFPFPSSA-N 2 2 354.414 0.147 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092198899 1205195107 /nfs/dbraw/zinc/19/51/07/1205195107.db2.gz APKKKQQNXVLQRU-KUHUBIRLSA-N 2 2 359.474 0.700 20 0 FCADLP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1)c1c[nH+]c[nH]1 ZINC001092198899 1205195108 /nfs/dbraw/zinc/19/51/08/1205195108.db2.gz APKKKQQNXVLQRU-KUHUBIRLSA-N 2 2 359.474 0.700 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092232379 1205205570 /nfs/dbraw/zinc/20/55/70/1205205570.db2.gz JXIBBPYHMGHMSY-BEFAXECRSA-N 2 2 359.474 0.663 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC001092232379 1205205576 /nfs/dbraw/zinc/20/55/76/1205205576.db2.gz JXIBBPYHMGHMSY-BEFAXECRSA-N 2 2 359.474 0.663 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092232596 1205205646 /nfs/dbraw/zinc/20/56/46/1205205646.db2.gz TZXQTSGPTPPJGO-ALKREAHSSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092232596 1205205651 /nfs/dbraw/zinc/20/56/51/1205205651.db2.gz TZXQTSGPTPPJGO-ALKREAHSSA-N 2 2 359.474 0.662 20 0 FCADLP COc1nccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092276533 1205223718 /nfs/dbraw/zinc/22/37/18/1205223718.db2.gz RWHGVEHQDDGWGQ-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP COc1nccc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)n1 ZINC001092276533 1205223722 /nfs/dbraw/zinc/22/37/22/1205223722.db2.gz RWHGVEHQDDGWGQ-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001092278182 1205224785 /nfs/dbraw/zinc/22/47/85/1205224785.db2.gz JASHBPKXSZAADM-JOQOYGCGSA-N 2 2 357.462 0.862 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@@]2(C)C1 ZINC001092278182 1205224788 /nfs/dbraw/zinc/22/47/88/1205224788.db2.gz JASHBPKXSZAADM-JOQOYGCGSA-N 2 2 357.462 0.862 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304470 1205236432 /nfs/dbraw/zinc/23/64/32/1205236432.db2.gz KLLPYCZUZMAQKE-POAQFYNOSA-N 2 2 358.486 0.816 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092304470 1205236434 /nfs/dbraw/zinc/23/64/34/1205236434.db2.gz KLLPYCZUZMAQKE-POAQFYNOSA-N 2 2 358.486 0.816 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1ncc(F)cn1 ZINC001092314939 1205245567 /nfs/dbraw/zinc/24/55/67/1205245567.db2.gz YWDRDIPXWGSVQZ-ZIAGYGMSSA-N 2 2 361.425 0.707 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092319915 1205247343 /nfs/dbraw/zinc/24/73/43/1205247343.db2.gz WXRNUYPFIWSXQD-KDOFPFPSSA-N 2 2 356.430 0.662 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)n1 ZINC001092319915 1205247345 /nfs/dbraw/zinc/24/73/45/1205247345.db2.gz WXRNUYPFIWSXQD-KDOFPFPSSA-N 2 2 356.430 0.662 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504443 1205296679 /nfs/dbraw/zinc/29/66/79/1205296679.db2.gz OJGILBLVEUCRAX-KFWWJZLASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504443 1205296680 /nfs/dbraw/zinc/29/66/80/1205296680.db2.gz OJGILBLVEUCRAX-KFWWJZLASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504443 1205296683 /nfs/dbraw/zinc/29/66/83/1205296683.db2.gz OJGILBLVEUCRAX-KFWWJZLASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504443 1205296685 /nfs/dbraw/zinc/29/66/85/1205296685.db2.gz OJGILBLVEUCRAX-KFWWJZLASA-N 2 2 362.478 0.087 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523035 1205302238 /nfs/dbraw/zinc/30/22/38/1205302238.db2.gz YMWMWAUNVFRABE-BMFZPTHFSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092523035 1205302241 /nfs/dbraw/zinc/30/22/41/1205302241.db2.gz YMWMWAUNVFRABE-BMFZPTHFSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092523035 1205302243 /nfs/dbraw/zinc/30/22/43/1205302243.db2.gz YMWMWAUNVFRABE-BMFZPTHFSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092523035 1205302246 /nfs/dbraw/zinc/30/22/46/1205302246.db2.gz YMWMWAUNVFRABE-BMFZPTHFSA-N 2 2 364.494 0.121 20 0 FCADLP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])OC(C)(C)O1 ZINC001220469334 1224883224 /nfs/dbraw/zinc/88/32/24/1224883224.db2.gz UGMBCNJPXFVXLJ-RFGFWPKPSA-N 2 2 371.478 0.291 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911521 1205941009 /nfs/dbraw/zinc/94/10/09/1205941009.db2.gz SPRVDZRCLURVRG-BMFZPTHFSA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911521 1205941013 /nfs/dbraw/zinc/94/10/13/1205941013.db2.gz SPRVDZRCLURVRG-BMFZPTHFSA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911521 1205941020 /nfs/dbraw/zinc/94/10/20/1205941020.db2.gz SPRVDZRCLURVRG-BMFZPTHFSA-N 2 2 364.494 0.406 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H](C)C2)[nH]1 ZINC001092911521 1205941026 /nfs/dbraw/zinc/94/10/26/1205941026.db2.gz SPRVDZRCLURVRG-BMFZPTHFSA-N 2 2 364.494 0.406 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910644 1205941071 /nfs/dbraw/zinc/94/10/71/1205941071.db2.gz HXKJFTSVSPYNTI-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910644 1205941072 /nfs/dbraw/zinc/94/10/72/1205941072.db2.gz HXKJFTSVSPYNTI-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910644 1205941075 /nfs/dbraw/zinc/94/10/75/1205941075.db2.gz HXKJFTSVSPYNTI-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]2C)C1 ZINC001092910644 1205941078 /nfs/dbraw/zinc/94/10/78/1205941078.db2.gz HXKJFTSVSPYNTI-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092911762 1205941100 /nfs/dbraw/zinc/94/11/00/1205941100.db2.gz XXBPHOKAHXLULP-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092911762 1205941101 /nfs/dbraw/zinc/94/11/01/1205941101.db2.gz XXBPHOKAHXLULP-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092911762 1205941102 /nfs/dbraw/zinc/94/11/02/1205941102.db2.gz XXBPHOKAHXLULP-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092911762 1205941103 /nfs/dbraw/zinc/94/11/03/1205941103.db2.gz XXBPHOKAHXLULP-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906869 1205952903 /nfs/dbraw/zinc/95/29/03/1205952903.db2.gz KOMGPLZAYUIXMS-OWCLPIDISA-N 2 2 363.510 0.516 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906869 1205952908 /nfs/dbraw/zinc/95/29/08/1205952908.db2.gz KOMGPLZAYUIXMS-OWCLPIDISA-N 2 2 363.510 0.516 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906869 1205952913 /nfs/dbraw/zinc/95/29/13/1205952913.db2.gz KOMGPLZAYUIXMS-OWCLPIDISA-N 2 2 363.510 0.516 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@H]2C)C1 ZINC001092906869 1205952915 /nfs/dbraw/zinc/95/29/15/1205952915.db2.gz KOMGPLZAYUIXMS-OWCLPIDISA-N 2 2 363.510 0.516 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C)[NH+](C)C ZINC001092991806 1205974541 /nfs/dbraw/zinc/97/45/41/1205974541.db2.gz AZMBGZSZUWMLIB-NGFQHRJXSA-N 2 2 357.462 0.929 20 0 FCADLP CCc1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553181 1224925130 /nfs/dbraw/zinc/92/51/30/1224925130.db2.gz BSUCROIPZYXYEA-MOPGFXCFSA-N 2 2 361.486 0.633 20 0 FCADLP CCc1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220553181 1224925136 /nfs/dbraw/zinc/92/51/36/1224925136.db2.gz BSUCROIPZYXYEA-MOPGFXCFSA-N 2 2 361.486 0.633 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550104 1224922801 /nfs/dbraw/zinc/92/28/01/1224922801.db2.gz JJHHCBRUVPTTCM-PMPSAXMXSA-N 2 2 365.478 0.177 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550104 1224922812 /nfs/dbraw/zinc/92/28/12/1224922812.db2.gz JJHHCBRUVPTTCM-PMPSAXMXSA-N 2 2 365.478 0.177 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211895 1206057553 /nfs/dbraw/zinc/05/75/53/1206057553.db2.gz GWEFSNKCXYVWAK-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211895 1206057557 /nfs/dbraw/zinc/05/75/57/1206057557.db2.gz GWEFSNKCXYVWAK-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093211895 1206057560 /nfs/dbraw/zinc/05/75/60/1206057560.db2.gz GWEFSNKCXYVWAK-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093211895 1206057563 /nfs/dbraw/zinc/05/75/63/1206057563.db2.gz GWEFSNKCXYVWAK-BZUAXINKSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211896 1206057729 /nfs/dbraw/zinc/05/77/29/1206057729.db2.gz GWEFSNKCXYVWAK-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093211896 1206057731 /nfs/dbraw/zinc/05/77/31/1206057731.db2.gz GWEFSNKCXYVWAK-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093211896 1206057733 /nfs/dbraw/zinc/05/77/33/1206057733.db2.gz GWEFSNKCXYVWAK-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCn1ncnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093211896 1206057735 /nfs/dbraw/zinc/05/77/35/1206057735.db2.gz GWEFSNKCXYVWAK-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)c[nH+]1 ZINC001093279894 1206070715 /nfs/dbraw/zinc/07/07/15/1206070715.db2.gz IKARWPWELRDHHX-FVQBIDKESA-N 2 2 361.490 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001093280787 1206071549 /nfs/dbraw/zinc/07/15/49/1206071549.db2.gz LEFDELSQGULZCL-RBSFLKMASA-N 2 2 355.442 0.911 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690504 1206101519 /nfs/dbraw/zinc/10/15/19/1206101519.db2.gz YNUWWRWGAXVJCY-KFWWJZLASA-N 2 2 365.478 0.708 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001093690504 1206101522 /nfs/dbraw/zinc/10/15/22/1206101522.db2.gz YNUWWRWGAXVJCY-KFWWJZLASA-N 2 2 365.478 0.708 20 0 FCADLP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001093742080 1206113907 /nfs/dbraw/zinc/11/39/07/1206113907.db2.gz IMLXIANOQXKKQU-ZIAGYGMSSA-N 2 2 360.466 0.623 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001093873531 1206139349 /nfs/dbraw/zinc/13/93/49/1206139349.db2.gz OHBOQAXALNPZHZ-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)o1 ZINC001093879049 1206141370 /nfs/dbraw/zinc/14/13/70/1206141370.db2.gz OMLOXBRYAPABJV-DGCLKSJQSA-N 2 2 362.434 0.926 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001093920965 1206150134 /nfs/dbraw/zinc/15/01/34/1206150134.db2.gz DJDWSMWGBCLQBP-TZMCWYRMSA-N 2 2 361.450 0.525 20 0 FCADLP CC(C)N1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1=O ZINC001093951445 1206157060 /nfs/dbraw/zinc/15/70/60/1206157060.db2.gz JKDMBNIMWWGKSF-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001093934377 1206161737 /nfs/dbraw/zinc/16/17/37/1206161737.db2.gz NFBPUZSZZNESIG-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cn(C3C[NH+](CC4CCC4)C3)nn2)O1 ZINC001094299936 1206215817 /nfs/dbraw/zinc/21/58/17/1206215817.db2.gz WPSBKPSJECLGSZ-CXAGYDPISA-N 2 2 362.478 0.270 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cn(C3C[NH+](CC4CCC4)C3)nn2)O1 ZINC001094299936 1206215818 /nfs/dbraw/zinc/21/58/18/1206215818.db2.gz WPSBKPSJECLGSZ-CXAGYDPISA-N 2 2 362.478 0.270 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@@H]1O ZINC001220568415 1224936990 /nfs/dbraw/zinc/93/69/90/1224936990.db2.gz LWDJPFMWMOUDED-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@@H]1O ZINC001220568415 1224936995 /nfs/dbraw/zinc/93/69/95/1224936995.db2.gz LWDJPFMWMOUDED-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@@H]1O ZINC001220568415 1224937013 /nfs/dbraw/zinc/93/70/13/1224937013.db2.gz LWDJPFMWMOUDED-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@@H]1O ZINC001220568415 1224937021 /nfs/dbraw/zinc/93/70/21/1224937021.db2.gz LWDJPFMWMOUDED-SJORKVTESA-N 2 2 370.538 0.528 20 0 FCADLP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220567725 1224937087 /nfs/dbraw/zinc/93/70/87/1224937087.db2.gz KFMNIIKDXKLWRV-SJORKVTESA-N 2 2 356.426 0.944 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001110159301 1206240693 /nfs/dbraw/zinc/24/06/93/1206240693.db2.gz JLAXNXXYKKDPRT-ILXRZTDVSA-N 2 2 365.478 0.036 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001110159301 1206240696 /nfs/dbraw/zinc/24/06/96/1206240696.db2.gz JLAXNXXYKKDPRT-ILXRZTDVSA-N 2 2 365.478 0.036 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110159301 1206240700 /nfs/dbraw/zinc/24/07/00/1206240700.db2.gz JLAXNXXYKKDPRT-ILXRZTDVSA-N 2 2 365.478 0.036 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110159301 1206240702 /nfs/dbraw/zinc/24/07/02/1206240702.db2.gz JLAXNXXYKKDPRT-ILXRZTDVSA-N 2 2 365.478 0.036 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)C[C@@H]1C(=O)OC ZINC001173585632 1206283198 /nfs/dbraw/zinc/28/31/98/1206283198.db2.gz QXMMKYFIVZPQKX-BJWYYQGGSA-N 2 2 367.490 0.441 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001095267809 1206291339 /nfs/dbraw/zinc/29/13/39/1206291339.db2.gz JMRVOSFKGCJZLN-QCSYZSNVSA-N 2 2 371.441 0.775 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001095267809 1206291343 /nfs/dbraw/zinc/29/13/43/1206291343.db2.gz JMRVOSFKGCJZLN-QCSYZSNVSA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc3nonc3c2)C1 ZINC001095267809 1206291345 /nfs/dbraw/zinc/29/13/45/1206291345.db2.gz JMRVOSFKGCJZLN-QCSYZSNVSA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc3nonc3c2)C1 ZINC001095267809 1206291349 /nfs/dbraw/zinc/29/13/49/1206291349.db2.gz JMRVOSFKGCJZLN-QCSYZSNVSA-N 2 2 371.441 0.775 20 0 FCADLP NC(=O)[C@](O)(C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccccc1 ZINC001175757359 1206307917 /nfs/dbraw/zinc/30/79/17/1206307917.db2.gz BYGDNEHJDVYAOB-FQEVSTJZSA-N 2 2 374.485 0.165 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179558115 1206382782 /nfs/dbraw/zinc/38/27/82/1206382782.db2.gz ZATWCYFQFYOIFK-XZDPQHSOSA-N 2 2 359.474 0.629 20 0 FCADLP CC(C)[NH+]1CCN(CC(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001180345688 1206393095 /nfs/dbraw/zinc/39/30/95/1206393095.db2.gz SJMLDHYNHNTZBB-UHFFFAOYSA-N 2 2 372.473 0.830 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760722 1206399129 /nfs/dbraw/zinc/39/91/29/1206399129.db2.gz UHZKVLCKEUAMHD-BZSNNMDCSA-N 2 2 360.458 0.214 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760722 1206399131 /nfs/dbraw/zinc/39/91/31/1206399131.db2.gz UHZKVLCKEUAMHD-BZSNNMDCSA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760722 1206399133 /nfs/dbraw/zinc/39/91/33/1206399133.db2.gz UHZKVLCKEUAMHD-BZSNNMDCSA-N 2 2 360.458 0.214 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001180760722 1206399135 /nfs/dbraw/zinc/39/91/35/1206399135.db2.gz UHZKVLCKEUAMHD-BZSNNMDCSA-N 2 2 360.458 0.214 20 0 FCADLP Nc1cc(CC(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC001181279914 1206407093 /nfs/dbraw/zinc/40/70/93/1206407093.db2.gz OQJNKRKTSNWTGX-UHFFFAOYSA-N 2 2 359.474 0.799 20 0 FCADLP NC(=[NH2+])N(C(=O)Cc1cc[nH+]c(N)c1)c1ccc(N2CCOCC2)cc1 ZINC001181279248 1206407108 /nfs/dbraw/zinc/40/71/08/1206407108.db2.gz JBIJVTUTJGRNCP-UHFFFAOYSA-N 2 2 354.414 0.970 20 0 FCADLP CCCC[N@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccccc1 ZINC001182236356 1206424772 /nfs/dbraw/zinc/42/47/72/1206424772.db2.gz LOOMKUATFPMUQH-XSLAGTTESA-N 2 2 360.506 0.369 20 0 FCADLP CCCC[N@@H+](CC)[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccccc1 ZINC001182236356 1206424774 /nfs/dbraw/zinc/42/47/74/1206424774.db2.gz LOOMKUATFPMUQH-XSLAGTTESA-N 2 2 360.506 0.369 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[NH+]3C(C)C)C2)C1 ZINC001182838206 1206444990 /nfs/dbraw/zinc/44/49/90/1206444990.db2.gz MWHFNVWEQPNONI-QFBILLFUSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[NH+]3C(C)C)C2)C1 ZINC001182838206 1206444991 /nfs/dbraw/zinc/44/49/91/1206444991.db2.gz MWHFNVWEQPNONI-QFBILLFUSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[N@@H+]3C(C)C)C2)C1 ZINC001182838206 1206444992 /nfs/dbraw/zinc/44/49/92/1206444992.db2.gz MWHFNVWEQPNONI-QFBILLFUSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[N@H+]3C(C)C)C2)C1 ZINC001182838206 1206444993 /nfs/dbraw/zinc/44/49/93/1206444993.db2.gz MWHFNVWEQPNONI-QFBILLFUSA-N 2 2 366.506 0.156 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183360781 1206451953 /nfs/dbraw/zinc/45/19/53/1206451953.db2.gz RINGIFZQLVWDFW-FCEWJHQRSA-N 2 2 369.506 0.828 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183360785 1206452104 /nfs/dbraw/zinc/45/21/04/1206452104.db2.gz RINGIFZQLVWDFW-GPMSIDNRSA-N 2 2 369.506 0.828 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183360786 1206452173 /nfs/dbraw/zinc/45/21/73/1206452173.db2.gz RINGIFZQLVWDFW-MDZRGWNJSA-N 2 2 369.506 0.828 20 0 FCADLP Nc1ccc(CCC(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c[nH+]1 ZINC001183929217 1206462704 /nfs/dbraw/zinc/46/27/04/1206462704.db2.gz LCVCNBOBAIAIKP-UHFFFAOYSA-N 2 2 370.457 0.553 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001185749616 1206485789 /nfs/dbraw/zinc/48/57/89/1206485789.db2.gz LELVSKYPKKNNKC-RBSFLKMASA-N 2 2 361.490 0.876 20 0 FCADLP C[N@@H+]1CCC[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001186353124 1206495709 /nfs/dbraw/zinc/49/57/09/1206495709.db2.gz AFVDCIQTPNMMBT-HNNXBMFYSA-N 2 2 370.457 0.562 20 0 FCADLP C[N@H+]1CCC[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001186353124 1206495712 /nfs/dbraw/zinc/49/57/12/1206495712.db2.gz AFVDCIQTPNMMBT-HNNXBMFYSA-N 2 2 370.457 0.562 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642708 1224983082 /nfs/dbraw/zinc/98/30/82/1224983082.db2.gz JPUKSDKETIZCAZ-SJORKVTESA-N 2 2 366.462 0.009 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642708 1224983090 /nfs/dbraw/zinc/98/30/90/1224983090.db2.gz JPUKSDKETIZCAZ-SJORKVTESA-N 2 2 366.462 0.009 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001220643317 1224983395 /nfs/dbraw/zinc/98/33/95/1224983395.db2.gz ZYQWLXWWPHIUSV-CVEARBPZSA-N 2 2 366.462 0.064 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001220643317 1224983402 /nfs/dbraw/zinc/98/34/02/1224983402.db2.gz ZYQWLXWWPHIUSV-CVEARBPZSA-N 2 2 366.462 0.064 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)CC[NH2+]1 ZINC001220651604 1224990644 /nfs/dbraw/zinc/99/06/44/1224990644.db2.gz LVFDLHDPZQFZSP-GDBMZVCRSA-N 2 2 360.458 0.254 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187706145 1207385396 /nfs/dbraw/zinc/38/53/96/1207385396.db2.gz DYSXBDIWJNRPGY-GVDBMIGSSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187706145 1207385400 /nfs/dbraw/zinc/38/54/00/1207385400.db2.gz DYSXBDIWJNRPGY-GVDBMIGSSA-N 2 2 364.490 0.909 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)CC[N@@H+]1C ZINC001187958457 1207405328 /nfs/dbraw/zinc/40/53/28/1207405328.db2.gz YGOCSMLVPNXODY-CYGHRXIMSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4ccco4)C[C@H]32)CC[N@H+]1C ZINC001187958457 1207405336 /nfs/dbraw/zinc/40/53/36/1207405336.db2.gz YGOCSMLVPNXODY-CYGHRXIMSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4ccco4)C[C@H]32)CC[NH+]1C ZINC001187958457 1207405342 /nfs/dbraw/zinc/40/53/42/1207405342.db2.gz YGOCSMLVPNXODY-CYGHRXIMSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4ccco4)C[C@H]32)CC[NH+]1C ZINC001187958457 1207405349 /nfs/dbraw/zinc/40/53/49/1207405349.db2.gz YGOCSMLVPNXODY-CYGHRXIMSA-N 2 2 374.485 0.769 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158771 1207432662 /nfs/dbraw/zinc/43/26/62/1207432662.db2.gz OVJAFCIKJSOGFF-CGTJXYLNSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001188158771 1207432667 /nfs/dbraw/zinc/43/26/67/1207432667.db2.gz OVJAFCIKJSOGFF-CGTJXYLNSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158771 1207432670 /nfs/dbraw/zinc/43/26/70/1207432670.db2.gz OVJAFCIKJSOGFF-CGTJXYLNSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001188158771 1207432673 /nfs/dbraw/zinc/43/26/73/1207432673.db2.gz OVJAFCIKJSOGFF-CGTJXYLNSA-N 2 2 364.490 0.909 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388462 1207448779 /nfs/dbraw/zinc/44/87/79/1207448779.db2.gz POAXBHCUROUUSQ-ZMSDIMECSA-N 2 2 359.474 0.457 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388462 1207448781 /nfs/dbraw/zinc/44/87/81/1207448781.db2.gz POAXBHCUROUUSQ-ZMSDIMECSA-N 2 2 359.474 0.457 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001188568465 1207464456 /nfs/dbraw/zinc/46/44/56/1207464456.db2.gz NDHZVBKSCRKKPX-YESZJQIVSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001188568465 1207464458 /nfs/dbraw/zinc/46/44/58/1207464458.db2.gz NDHZVBKSCRKKPX-YESZJQIVSA-N 2 2 361.490 0.885 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126724 1207508730 /nfs/dbraw/zinc/50/87/30/1207508730.db2.gz LTSOTCZTFLSJSY-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126724 1207508735 /nfs/dbraw/zinc/50/87/35/1207508735.db2.gz LTSOTCZTFLSJSY-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126724 1207508739 /nfs/dbraw/zinc/50/87/39/1207508739.db2.gz LTSOTCZTFLSJSY-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189126724 1207508744 /nfs/dbraw/zinc/50/87/44/1207508744.db2.gz LTSOTCZTFLSJSY-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126677 1207510076 /nfs/dbraw/zinc/51/00/76/1207510076.db2.gz JZMKXGJXNLLFPY-KHYOSLBOSA-N 2 2 368.497 0.868 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126677 1207510079 /nfs/dbraw/zinc/51/00/79/1207510079.db2.gz JZMKXGJXNLLFPY-KHYOSLBOSA-N 2 2 368.497 0.868 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126677 1207510081 /nfs/dbraw/zinc/51/00/81/1207510081.db2.gz JZMKXGJXNLLFPY-KHYOSLBOSA-N 2 2 368.497 0.868 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189126677 1207510084 /nfs/dbraw/zinc/51/00/84/1207510084.db2.gz JZMKXGJXNLLFPY-KHYOSLBOSA-N 2 2 368.497 0.868 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189639705 1207576216 /nfs/dbraw/zinc/57/62/16/1207576216.db2.gz COFQADULDQBXDD-QILLFSRXSA-N 2 2 371.441 0.421 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189639705 1207576219 /nfs/dbraw/zinc/57/62/19/1207576219.db2.gz COFQADULDQBXDD-QILLFSRXSA-N 2 2 371.441 0.421 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786636 1207600148 /nfs/dbraw/zinc/60/01/48/1207600148.db2.gz GUTHSCXRJWAFBF-HLLBOEOZSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786636 1207600151 /nfs/dbraw/zinc/60/01/51/1207600151.db2.gz GUTHSCXRJWAFBF-HLLBOEOZSA-N 2 2 361.490 0.751 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681958 1225009898 /nfs/dbraw/zinc/00/98/98/1225009898.db2.gz SGVTXOAPGFAANP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681958 1225009910 /nfs/dbraw/zinc/00/99/10/1225009910.db2.gz SGVTXOAPGFAANP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681958 1225009919 /nfs/dbraw/zinc/00/99/19/1225009919.db2.gz SGVTXOAPGFAANP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220681958 1225009931 /nfs/dbraw/zinc/00/99/31/1225009931.db2.gz SGVTXOAPGFAANP-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687012 1225012663 /nfs/dbraw/zinc/01/26/63/1225012663.db2.gz CBGKIRKJJGLNHZ-WBVHZDCISA-N 2 2 355.442 0.835 20 0 FCADLP CCC(CC)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899089 1207736654 /nfs/dbraw/zinc/73/66/54/1207736654.db2.gz HBLHLWNYGHVULF-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899089 1207736655 /nfs/dbraw/zinc/73/66/55/1207736655.db2.gz HBLHLWNYGHVULF-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899089 1207736658 /nfs/dbraw/zinc/73/66/58/1207736658.db2.gz HBLHLWNYGHVULF-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CCC(CC)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899089 1207736662 /nfs/dbraw/zinc/73/66/62/1207736662.db2.gz HBLHLWNYGHVULF-DJIMGWMZSA-N 2 2 368.522 0.543 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132073 1207860921 /nfs/dbraw/zinc/86/09/21/1207860921.db2.gz YBHXJSJAKMSMPE-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132073 1207860922 /nfs/dbraw/zinc/86/09/22/1207860922.db2.gz YBHXJSJAKMSMPE-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001193132073 1207860923 /nfs/dbraw/zinc/86/09/23/1207860923.db2.gz YBHXJSJAKMSMPE-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001193132073 1207860925 /nfs/dbraw/zinc/86/09/25/1207860925.db2.gz YBHXJSJAKMSMPE-BRWVUGGUSA-N 2 2 365.478 0.378 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193780552 1207888535 /nfs/dbraw/zinc/88/85/35/1207888535.db2.gz CNGGBWVMYGECRX-NUJGCVRESA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193780552 1207888537 /nfs/dbraw/zinc/88/85/37/1207888537.db2.gz CNGGBWVMYGECRX-NUJGCVRESA-N 2 2 362.474 0.482 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193755156 1207890269 /nfs/dbraw/zinc/89/02/69/1207890269.db2.gz GVTNKTOEFSSRTJ-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001193755156 1207890271 /nfs/dbraw/zinc/89/02/71/1207890271.db2.gz GVTNKTOEFSSRTJ-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756902 1207890404 /nfs/dbraw/zinc/89/04/04/1207890404.db2.gz VIDPCEIMROTCBD-BFQLNGAHSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756902 1207890406 /nfs/dbraw/zinc/89/04/06/1207890406.db2.gz VIDPCEIMROTCBD-BFQLNGAHSA-N 2 2 363.506 0.721 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805379 1207891521 /nfs/dbraw/zinc/89/15/21/1207891521.db2.gz NWHPZYDKIHDAMQ-IAGOWNOFSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805379 1207891523 /nfs/dbraw/zinc/89/15/23/1207891523.db2.gz NWHPZYDKIHDAMQ-IAGOWNOFSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805379 1207891524 /nfs/dbraw/zinc/89/15/24/1207891524.db2.gz NWHPZYDKIHDAMQ-IAGOWNOFSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)C1CCC1 ZINC001193805379 1207891527 /nfs/dbraw/zinc/89/15/27/1207891527.db2.gz NWHPZYDKIHDAMQ-IAGOWNOFSA-N 2 2 365.449 0.850 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193902070 1207898285 /nfs/dbraw/zinc/89/82/85/1207898285.db2.gz MKLVLTYMQJHLQP-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193902070 1207898287 /nfs/dbraw/zinc/89/82/87/1207898287.db2.gz MKLVLTYMQJHLQP-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193902070 1207898288 /nfs/dbraw/zinc/89/82/88/1207898288.db2.gz MKLVLTYMQJHLQP-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193902070 1207898289 /nfs/dbraw/zinc/89/82/89/1207898289.db2.gz MKLVLTYMQJHLQP-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001193961797 1207902501 /nfs/dbraw/zinc/90/25/01/1207902501.db2.gz ZQJWKGCOHXMTFL-KURKYZTESA-N 2 2 367.465 0.566 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O)[NH+](C)C ZINC001193961797 1207902506 /nfs/dbraw/zinc/90/25/06/1207902506.db2.gz ZQJWKGCOHXMTFL-KURKYZTESA-N 2 2 367.465 0.566 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039036 1207909336 /nfs/dbraw/zinc/90/93/36/1207909336.db2.gz LQUCBPHHFJNMBD-OWCLPIDISA-N 2 2 366.506 0.068 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039036 1207909338 /nfs/dbraw/zinc/90/93/38/1207909338.db2.gz LQUCBPHHFJNMBD-OWCLPIDISA-N 2 2 366.506 0.068 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996872 1207909461 /nfs/dbraw/zinc/90/94/61/1207909461.db2.gz HLLGOMUAYKPBSS-IXDOHACOSA-N 2 2 368.478 0.295 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996872 1207909464 /nfs/dbraw/zinc/90/94/64/1207909464.db2.gz HLLGOMUAYKPBSS-IXDOHACOSA-N 2 2 368.478 0.295 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244188 1207926535 /nfs/dbraw/zinc/92/65/35/1207926535.db2.gz JYORSHCKZAXOSO-HZPDHXFCSA-N 2 2 370.538 0.527 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244188 1207926538 /nfs/dbraw/zinc/92/65/38/1207926538.db2.gz JYORSHCKZAXOSO-HZPDHXFCSA-N 2 2 370.538 0.527 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194244188 1207926541 /nfs/dbraw/zinc/92/65/41/1207926541.db2.gz JYORSHCKZAXOSO-HZPDHXFCSA-N 2 2 370.538 0.527 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194244188 1207926543 /nfs/dbraw/zinc/92/65/43/1207926543.db2.gz JYORSHCKZAXOSO-HZPDHXFCSA-N 2 2 370.538 0.527 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265240 1207928882 /nfs/dbraw/zinc/92/88/82/1207928882.db2.gz OFZZRKNXISALHZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265240 1207928884 /nfs/dbraw/zinc/92/88/84/1207928884.db2.gz OFZZRKNXISALHZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265240 1207928886 /nfs/dbraw/zinc/92/88/86/1207928886.db2.gz OFZZRKNXISALHZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001194265240 1207928889 /nfs/dbraw/zinc/92/88/89/1207928889.db2.gz OFZZRKNXISALHZ-ARFHVFGLSA-N 2 2 368.522 0.279 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001195148769 1207999299 /nfs/dbraw/zinc/99/92/99/1207999299.db2.gz AKSWNCOLEPPGOO-KZNAEPCWSA-N 2 2 358.442 0.038 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001195148769 1207999301 /nfs/dbraw/zinc/99/93/01/1207999301.db2.gz AKSWNCOLEPPGOO-KZNAEPCWSA-N 2 2 358.442 0.038 20 0 FCADLP COc1ccc(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128016 1208000727 /nfs/dbraw/zinc/00/07/27/1208000727.db2.gz DWDSEDOZRVFBME-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP COc1ccc(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128016 1208000732 /nfs/dbraw/zinc/00/07/32/1208000732.db2.gz DWDSEDOZRVFBME-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP CN(C)c1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001195139433 1208002076 /nfs/dbraw/zinc/00/20/76/1208002076.db2.gz NMLKXKFJARBVDW-QZTJIDSGSA-N 2 2 357.458 0.701 20 0 FCADLP CN(C)c1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001195139433 1208002080 /nfs/dbraw/zinc/00/20/80/1208002080.db2.gz NMLKXKFJARBVDW-QZTJIDSGSA-N 2 2 357.458 0.701 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001195594435 1208026456 /nfs/dbraw/zinc/02/64/56/1208026456.db2.gz NCICWBHIYPUADN-KZNAEPCWSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001195594435 1208026458 /nfs/dbraw/zinc/02/64/58/1208026458.db2.gz NCICWBHIYPUADN-KZNAEPCWSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)C1 ZINC001195594435 1208026461 /nfs/dbraw/zinc/02/64/61/1208026461.db2.gz NCICWBHIYPUADN-KZNAEPCWSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594730 1208026853 /nfs/dbraw/zinc/02/68/53/1208026853.db2.gz UWROGHWUPNRZGF-KZNAEPCWSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594730 1208026856 /nfs/dbraw/zinc/02/68/56/1208026856.db2.gz UWROGHWUPNRZGF-KZNAEPCWSA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594730 1208026860 /nfs/dbraw/zinc/02/68/60/1208026860.db2.gz UWROGHWUPNRZGF-KZNAEPCWSA-N 2 2 371.522 0.320 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001195640937 1208030906 /nfs/dbraw/zinc/03/09/06/1208030906.db2.gz VKQQGEONRJHHGR-IAGOWNOFSA-N 2 2 365.474 0.933 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001195640937 1208030909 /nfs/dbraw/zinc/03/09/09/1208030909.db2.gz VKQQGEONRJHHGR-IAGOWNOFSA-N 2 2 365.474 0.933 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001195860241 1208041760 /nfs/dbraw/zinc/04/17/60/1208041760.db2.gz UMZFOUJXVZXREG-BHUNQDJPSA-N 2 2 368.522 0.137 20 0 FCADLP CC1CCC(N(C)C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001195860241 1208041763 /nfs/dbraw/zinc/04/17/63/1208041763.db2.gz UMZFOUJXVZXREG-BHUNQDJPSA-N 2 2 368.522 0.137 20 0 FCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871951 1208044904 /nfs/dbraw/zinc/04/49/04/1208044904.db2.gz UDWBLFWKFGNLNE-DJIMGWMZSA-N 2 2 362.474 0.151 20 0 FCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871951 1208044907 /nfs/dbraw/zinc/04/49/07/1208044907.db2.gz UDWBLFWKFGNLNE-DJIMGWMZSA-N 2 2 362.474 0.151 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1O)[NH+](CC)CC ZINC001196116421 1208058640 /nfs/dbraw/zinc/05/86/40/1208058640.db2.gz ZEVOPBLTAVRFKL-IXDOHACOSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1O)[NH+](CC)CC ZINC001196116421 1208058642 /nfs/dbraw/zinc/05/86/42/1208058642.db2.gz ZEVOPBLTAVRFKL-IXDOHACOSA-N 2 2 364.490 0.872 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268326 1208069477 /nfs/dbraw/zinc/06/94/77/1208069477.db2.gz GBIHFNXLUCWQIL-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268326 1208069480 /nfs/dbraw/zinc/06/94/80/1208069480.db2.gz GBIHFNXLUCWQIL-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268326 1208069482 /nfs/dbraw/zinc/06/94/82/1208069482.db2.gz GBIHFNXLUCWQIL-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268326 1208069486 /nfs/dbraw/zinc/06/94/86/1208069486.db2.gz GBIHFNXLUCWQIL-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196298904 1208073078 /nfs/dbraw/zinc/07/30/78/1208073078.db2.gz FIQBRKBEGBEDPQ-IAOVAPTHSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196298904 1208073080 /nfs/dbraw/zinc/07/30/80/1208073080.db2.gz FIQBRKBEGBEDPQ-IAOVAPTHSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001196925363 1208119267 /nfs/dbraw/zinc/11/92/67/1208119267.db2.gz KQEDLDJYMBEMHG-QZTJIDSGSA-N 2 2 364.490 0.950 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001196925363 1208119271 /nfs/dbraw/zinc/11/92/71/1208119271.db2.gz KQEDLDJYMBEMHG-QZTJIDSGSA-N 2 2 364.490 0.950 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@H]1O ZINC001197000827 1208127610 /nfs/dbraw/zinc/12/76/10/1208127610.db2.gz LWDJPFMWMOUDED-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@H]1O ZINC001197000827 1208127614 /nfs/dbraw/zinc/12/76/14/1208127614.db2.gz LWDJPFMWMOUDED-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1O ZINC001197000827 1208127620 /nfs/dbraw/zinc/12/76/20/1208127620.db2.gz LWDJPFMWMOUDED-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O)C(C)C ZINC001197025449 1208133352 /nfs/dbraw/zinc/13/33/52/1208133352.db2.gz PCYWMAJTXQWASJ-BFYDXBDKSA-N 2 2 370.538 0.429 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O)C(C)C ZINC001197025449 1208133353 /nfs/dbraw/zinc/13/33/53/1208133353.db2.gz PCYWMAJTXQWASJ-BFYDXBDKSA-N 2 2 370.538 0.429 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001197273052 1208149809 /nfs/dbraw/zinc/14/98/09/1208149809.db2.gz DLJKISWQWSGHAV-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001197273052 1208149812 /nfs/dbraw/zinc/14/98/12/1208149812.db2.gz DLJKISWQWSGHAV-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC2CN(C3COC3)C2)cc1 ZINC001198041412 1208217236 /nfs/dbraw/zinc/21/72/36/1208217236.db2.gz DUPVXZTWXUUVLK-UHFFFAOYSA-N 2 2 360.502 0.883 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC2CN(C3COC3)C2)cc1 ZINC001198041412 1208217240 /nfs/dbraw/zinc/21/72/40/1208217240.db2.gz DUPVXZTWXUUVLK-UHFFFAOYSA-N 2 2 360.502 0.883 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001198285015 1208234061 /nfs/dbraw/zinc/23/40/61/1208234061.db2.gz BCMBLNSCASKZJP-RTBURBONSA-N 2 2 370.453 0.744 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001198285015 1208234065 /nfs/dbraw/zinc/23/40/65/1208234065.db2.gz BCMBLNSCASKZJP-RTBURBONSA-N 2 2 370.453 0.744 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511789 1208261820 /nfs/dbraw/zinc/26/18/20/1208261820.db2.gz USTYWROHEWVJPK-QXSJWSMHSA-N 2 2 366.462 0.088 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511789 1208261822 /nfs/dbraw/zinc/26/18/22/1208261822.db2.gz USTYWROHEWVJPK-QXSJWSMHSA-N 2 2 366.462 0.088 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729695 1208284343 /nfs/dbraw/zinc/28/43/43/1208284343.db2.gz XQOWMNAHWOJJHF-KBAYOESNSA-N 2 2 361.490 0.965 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729695 1208284344 /nfs/dbraw/zinc/28/43/44/1208284344.db2.gz XQOWMNAHWOJJHF-KBAYOESNSA-N 2 2 361.490 0.965 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)c2ccccc2OC)CC[N@@H+]1C ZINC001198741811 1208284981 /nfs/dbraw/zinc/28/49/81/1208284981.db2.gz NCADBSVMNXFKKH-HRCADAONSA-N 2 2 362.474 0.658 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)c2ccccc2OC)CC[N@H+]1C ZINC001198741811 1208284987 /nfs/dbraw/zinc/28/49/87/1208284987.db2.gz NCADBSVMNXFKKH-HRCADAONSA-N 2 2 362.474 0.658 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744487 1208285350 /nfs/dbraw/zinc/28/53/50/1208285350.db2.gz TUPRKWPYCKBWDZ-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744487 1208285351 /nfs/dbraw/zinc/28/53/51/1208285351.db2.gz TUPRKWPYCKBWDZ-GVDBMIGSSA-N 2 2 368.522 0.329 20 0 FCADLP COCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198774889 1208289763 /nfs/dbraw/zinc/28/97/63/1208289763.db2.gz CEALCOFAXJYOGS-QGPMSJSTSA-N 2 2 365.474 0.808 20 0 FCADLP COCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198774889 1208289767 /nfs/dbraw/zinc/28/97/67/1208289767.db2.gz CEALCOFAXJYOGS-QGPMSJSTSA-N 2 2 365.474 0.808 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC001199359733 1208342643 /nfs/dbraw/zinc/34/26/43/1208342643.db2.gz HRLKSKHUVMJLQE-UHFFFAOYSA-N 2 2 353.426 0.862 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199370153 1208343956 /nfs/dbraw/zinc/34/39/56/1208343956.db2.gz MMSUSENOOCJMSH-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1=O ZINC001199370153 1208343958 /nfs/dbraw/zinc/34/39/58/1208343958.db2.gz MMSUSENOOCJMSH-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)Cc1ccccc1 ZINC001199384322 1208344579 /nfs/dbraw/zinc/34/45/79/1208344579.db2.gz HBSRWDVOHMFTHR-QZTJIDSGSA-N 2 2 357.458 0.176 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O)Cc1ccccc1 ZINC001199384322 1208344583 /nfs/dbraw/zinc/34/45/83/1208344583.db2.gz HBSRWDVOHMFTHR-QZTJIDSGSA-N 2 2 357.458 0.176 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O)Cc1ccccc1 ZINC001199384322 1208344588 /nfs/dbraw/zinc/34/45/88/1208344588.db2.gz HBSRWDVOHMFTHR-QZTJIDSGSA-N 2 2 357.458 0.176 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)Cc1ccccc1 ZINC001199384322 1208344592 /nfs/dbraw/zinc/34/45/92/1208344592.db2.gz HBSRWDVOHMFTHR-QZTJIDSGSA-N 2 2 357.458 0.176 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001487668643 1208390800 /nfs/dbraw/zinc/39/08/00/1208390800.db2.gz GVSXTBKHMYYJMY-FRFSOERESA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001487668643 1208390804 /nfs/dbraw/zinc/39/08/04/1208390804.db2.gz GVSXTBKHMYYJMY-FRFSOERESA-N 2 2 361.490 0.954 20 0 FCADLP O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)Nc1ccon1 ZINC001201125193 1208447751 /nfs/dbraw/zinc/44/77/51/1208447751.db2.gz LAXNBDTXKDUFJZ-CHWSQXEVSA-N 2 2 358.402 0.721 20 0 FCADLP O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)Nc1ccon1 ZINC001201125193 1208447754 /nfs/dbraw/zinc/44/77/54/1208447754.db2.gz LAXNBDTXKDUFJZ-CHWSQXEVSA-N 2 2 358.402 0.721 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001488869677 1208555201 /nfs/dbraw/zinc/55/52/01/1208555201.db2.gz PAKWNRLQTKQRMZ-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001488869677 1208555205 /nfs/dbraw/zinc/55/52/05/1208555205.db2.gz PAKWNRLQTKQRMZ-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220799057 1225080265 /nfs/dbraw/zinc/08/02/65/1225080265.db2.gz MXRXFQBDXCDXRD-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@@H]1O ZINC001220799057 1225080273 /nfs/dbraw/zinc/08/02/73/1225080273.db2.gz MXRXFQBDXCDXRD-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001489251636 1208692595 /nfs/dbraw/zinc/69/25/95/1208692595.db2.gz CMGJRUBFJXUHCH-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001489251636 1208692602 /nfs/dbraw/zinc/69/26/02/1208692602.db2.gz CMGJRUBFJXUHCH-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816857 1225085827 /nfs/dbraw/zinc/08/58/27/1225085827.db2.gz DUUWEMHVQOGCHE-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816857 1225085831 /nfs/dbraw/zinc/08/58/31/1225085831.db2.gz DUUWEMHVQOGCHE-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816857 1225085840 /nfs/dbraw/zinc/08/58/40/1225085840.db2.gz DUUWEMHVQOGCHE-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001220816857 1225085846 /nfs/dbraw/zinc/08/58/46/1225085846.db2.gz DUUWEMHVQOGCHE-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001220881612 1225120978 /nfs/dbraw/zinc/12/09/78/1225120978.db2.gz BCMBLNSCASKZJP-MOPGFXCFSA-N 2 2 370.453 0.744 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001220881612 1225120982 /nfs/dbraw/zinc/12/09/82/1225120982.db2.gz BCMBLNSCASKZJP-MOPGFXCFSA-N 2 2 370.453 0.744 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220888823 1225124333 /nfs/dbraw/zinc/12/43/33/1225124333.db2.gz YBEJECGEODWORN-MSOLQXFVSA-N 2 2 364.490 0.721 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220888823 1225124335 /nfs/dbraw/zinc/12/43/35/1225124335.db2.gz YBEJECGEODWORN-MSOLQXFVSA-N 2 2 364.490 0.721 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC(=O)N(C)CC3)cc2)CC1 ZINC000852579253 1209555047 /nfs/dbraw/zinc/55/50/47/1209555047.db2.gz FAMMJXAZDWODJR-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC(=O)N(C)CC3)cc2)CC1 ZINC000852579253 1209555051 /nfs/dbraw/zinc/55/50/51/1209555051.db2.gz FAMMJXAZDWODJR-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110663059 1209588051 /nfs/dbraw/zinc/58/80/51/1209588051.db2.gz WGKNBAZFIMKQKC-VXNCWWDNSA-N 2 2 362.518 0.917 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110663059 1209588056 /nfs/dbraw/zinc/58/80/56/1209588056.db2.gz WGKNBAZFIMKQKC-VXNCWWDNSA-N 2 2 362.518 0.917 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)CC1 ZINC000856800980 1209729893 /nfs/dbraw/zinc/72/98/93/1209729893.db2.gz IXMXTKIKZSVWCK-MAUKXSAKSA-N 2 2 363.506 0.718 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985856 1225175071 /nfs/dbraw/zinc/17/50/71/1225175071.db2.gz HWPOMYCCLUJTGA-NXHRZFHOSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985856 1225175075 /nfs/dbraw/zinc/17/50/75/1225175075.db2.gz HWPOMYCCLUJTGA-NXHRZFHOSA-N 2 2 362.474 0.020 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868218091 1210044276 /nfs/dbraw/zinc/04/42/76/1210044276.db2.gz ZKGKYQOSIXCNFY-ZWKOTPCHSA-N 2 2 374.489 0.210 20 0 FCADLP [NH3+][C@H]1CC[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000870876748 1210120904 /nfs/dbraw/zinc/12/09/04/1210120904.db2.gz XPGHNFXJTFOMHG-WKILWMFISA-N 2 2 359.474 0.754 20 0 FCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000874996586 1210326017 /nfs/dbraw/zinc/32/60/17/1210326017.db2.gz JOFJJBMPUIYOOW-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062735 1225205042 /nfs/dbraw/zinc/20/50/42/1225205042.db2.gz ZAKHXQTZKDHUKH-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221062735 1225205045 /nfs/dbraw/zinc/20/50/45/1225205045.db2.gz ZAKHXQTZKDHUKH-OAGGEKHMSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+]1CCCCC1 ZINC000875129925 1210340705 /nfs/dbraw/zinc/34/07/05/1210340705.db2.gz BVPVQGBSYZLBPR-LPHOPBHVSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@@H](CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+]1CCCCC1 ZINC000875129925 1210340711 /nfs/dbraw/zinc/34/07/11/1210340711.db2.gz BVPVQGBSYZLBPR-LPHOPBHVSA-N 2 2 368.522 0.776 20 0 FCADLP CCn1c2ccccc2nc1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)C1 ZINC001221065983 1225206579 /nfs/dbraw/zinc/20/65/79/1225206579.db2.gz ZSTSVKNJLSUNNW-DZKIICNBSA-N 2 2 356.474 0.830 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC000826075782 1210467036 /nfs/dbraw/zinc/46/70/36/1210467036.db2.gz ZZXVJMPFCCEXOD-LJQANCHMSA-N 2 2 372.513 0.961 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC000826075782 1210467038 /nfs/dbraw/zinc/46/70/38/1210467038.db2.gz ZZXVJMPFCCEXOD-LJQANCHMSA-N 2 2 372.513 0.961 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000826075782 1210467039 /nfs/dbraw/zinc/46/70/39/1210467039.db2.gz ZZXVJMPFCCEXOD-LJQANCHMSA-N 2 2 372.513 0.961 20 0 FCADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000826075782 1210467041 /nfs/dbraw/zinc/46/70/41/1210467041.db2.gz ZZXVJMPFCCEXOD-LJQANCHMSA-N 2 2 372.513 0.961 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879576216 1210488433 /nfs/dbraw/zinc/48/84/33/1210488433.db2.gz AIXIMGLMBICZMS-BRWVUGGUSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879576216 1210488436 /nfs/dbraw/zinc/48/84/36/1210488436.db2.gz AIXIMGLMBICZMS-BRWVUGGUSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879576216 1210488439 /nfs/dbraw/zinc/48/84/39/1210488439.db2.gz AIXIMGLMBICZMS-BRWVUGGUSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879576216 1210488444 /nfs/dbraw/zinc/48/84/44/1210488444.db2.gz AIXIMGLMBICZMS-BRWVUGGUSA-N 2 2 358.490 0.540 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093685 1225219193 /nfs/dbraw/zinc/21/91/93/1225219193.db2.gz TUPXKOCVXJKYTI-SJORKVTESA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093685 1225219201 /nfs/dbraw/zinc/21/92/01/1225219201.db2.gz TUPXKOCVXJKYTI-SJORKVTESA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093685 1225219207 /nfs/dbraw/zinc/21/92/07/1225219207.db2.gz TUPXKOCVXJKYTI-SJORKVTESA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093685 1225219215 /nfs/dbraw/zinc/21/92/15/1225219215.db2.gz TUPXKOCVXJKYTI-SJORKVTESA-N 2 2 370.538 0.381 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001221095259 1225219537 /nfs/dbraw/zinc/21/95/37/1225219537.db2.gz CCYFWYGBCFBOBG-CEXWTWQISA-N 2 2 371.485 0.427 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H](O)C2)cn1 ZINC001221095259 1225219539 /nfs/dbraw/zinc/21/95/39/1225219539.db2.gz CCYFWYGBCFBOBG-CEXWTWQISA-N 2 2 371.485 0.427 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133626 1210517304 /nfs/dbraw/zinc/51/73/04/1210517304.db2.gz VFTNLHUIICEKEI-IAGOWNOFSA-N 2 2 358.490 0.684 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133626 1210517309 /nfs/dbraw/zinc/51/73/09/1210517309.db2.gz VFTNLHUIICEKEI-IAGOWNOFSA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133626 1210517318 /nfs/dbraw/zinc/51/73/18/1210517318.db2.gz VFTNLHUIICEKEI-IAGOWNOFSA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133626 1210517325 /nfs/dbraw/zinc/51/73/25/1210517325.db2.gz VFTNLHUIICEKEI-IAGOWNOFSA-N 2 2 358.490 0.684 20 0 FCADLP COC(=O)[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000880326420 1210528553 /nfs/dbraw/zinc/52/85/53/1210528553.db2.gz LHIWAWQQVKCEGY-KXBFYZLASA-N 2 2 367.490 0.489 20 0 FCADLP COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000880326420 1210528561 /nfs/dbraw/zinc/52/85/61/1210528561.db2.gz LHIWAWQQVKCEGY-KXBFYZLASA-N 2 2 367.490 0.489 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)c1ccccc1 ZINC001221096330 1225221140 /nfs/dbraw/zinc/22/11/40/1225221140.db2.gz QEKSGXXADKMPBS-CEXWTWQISA-N 2 2 361.486 0.877 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)c1ccccc1 ZINC001221096330 1225221146 /nfs/dbraw/zinc/22/11/46/1225221146.db2.gz QEKSGXXADKMPBS-CEXWTWQISA-N 2 2 361.486 0.877 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCn2cc(C[C@H]3CC[NH2+]C3)nn2)CC1 ZINC000881342951 1210585378 /nfs/dbraw/zinc/58/53/78/1210585378.db2.gz GBUTYOWABBOCEJ-OAHLLOKOSA-N 2 2 364.494 0.983 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000882815416 1210635983 /nfs/dbraw/zinc/63/59/83/1210635983.db2.gz HYDXGAGYPFEWBI-UHFFFAOYSA-N 2 2 374.489 0.623 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883143682 1210656475 /nfs/dbraw/zinc/65/64/75/1210656475.db2.gz RVDXVPMHBHZYBP-OAHLLOKOSA-N 2 2 362.478 0.787 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001202553068 1210656865 /nfs/dbraw/zinc/65/68/65/1210656865.db2.gz UQPMBQNDKADZJR-HZPDHXFCSA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883347003 1210663643 /nfs/dbraw/zinc/66/36/43/1210663643.db2.gz KHBLYPSLWYBIEZ-DLBZAZTESA-N 2 2 360.506 0.938 20 0 FCADLP COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCCn2cc[nH+]c2C)c1 ZINC000884545634 1210748150 /nfs/dbraw/zinc/74/81/50/1210748150.db2.gz NDAOJPXVERHPOR-QGZVFWFLSA-N 2 2 371.441 0.489 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884643560 1210771513 /nfs/dbraw/zinc/77/15/13/1210771513.db2.gz LAFJKNKNDIXZSC-QKPAOTATSA-N 2 2 357.458 0.423 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884692088 1210782417 /nfs/dbraw/zinc/78/24/17/1210782417.db2.gz GFLIJNGWVJBTTO-WBVHZDCISA-N 2 2 355.442 0.856 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000884708732 1210785319 /nfs/dbraw/zinc/78/53/19/1210785319.db2.gz JVUPQZYHPQIKHI-MRXNPFEDSA-N 2 2 362.474 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000884708732 1210785325 /nfs/dbraw/zinc/78/53/25/1210785325.db2.gz JVUPQZYHPQIKHI-MRXNPFEDSA-N 2 2 362.474 0.166 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884720660 1210788433 /nfs/dbraw/zinc/78/84/33/1210788433.db2.gz RMIHYLBOHOXNAE-PVAVHDDUSA-N 2 2 355.442 0.855 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884810555 1210798205 /nfs/dbraw/zinc/79/82/05/1210798205.db2.gz FLQNAUBVZQYUSN-GVDBMIGSSA-N 2 2 355.442 0.997 20 0 FCADLP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[NH2+]C1 ZINC000884878770 1210802567 /nfs/dbraw/zinc/80/25/67/1210802567.db2.gz IMPSAOIMJYHRGS-GDBMZVCRSA-N 2 2 360.458 0.956 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc1 ZINC000885020833 1210809435 /nfs/dbraw/zinc/80/94/35/1210809435.db2.gz PANZTZNOFSDYSV-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc1 ZINC000885020833 1210809439 /nfs/dbraw/zinc/80/94/39/1210809439.db2.gz PANZTZNOFSDYSV-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)C2)cc1 ZINC000885020240 1210809461 /nfs/dbraw/zinc/80/94/61/1210809461.db2.gz GLLYITRLCUHUKL-KBAYOESNSA-N 2 2 374.485 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)C2)cc1 ZINC000885020240 1210809463 /nfs/dbraw/zinc/80/94/63/1210809463.db2.gz GLLYITRLCUHUKL-KBAYOESNSA-N 2 2 374.485 0.118 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000885022093 1210809745 /nfs/dbraw/zinc/80/97/45/1210809745.db2.gz KAIUIBVPWVIDCI-KRWDZBQOSA-N 2 2 356.470 0.891 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000885022093 1210809747 /nfs/dbraw/zinc/80/97/47/1210809747.db2.gz KAIUIBVPWVIDCI-KRWDZBQOSA-N 2 2 356.470 0.891 20 0 FCADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000885155791 1210813361 /nfs/dbraw/zinc/81/33/61/1210813361.db2.gz BHXKNKMZVDPZDE-IAGOWNOFSA-N 2 2 367.453 0.946 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885228599 1210816256 /nfs/dbraw/zinc/81/62/56/1210816256.db2.gz XFIRGSVBJZNLOG-WBVHZDCISA-N 2 2 355.442 0.809 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227544 1210816276 /nfs/dbraw/zinc/81/62/76/1210816276.db2.gz JWCRRKMUNUBETF-WBVHZDCISA-N 2 2 355.442 0.938 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000885284273 1210817177 /nfs/dbraw/zinc/81/71/77/1210817177.db2.gz FJFDLNOWXUQQEI-TZMCWYRMSA-N 2 2 368.384 0.422 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154346 1225243441 /nfs/dbraw/zinc/24/34/41/1225243441.db2.gz MMSUSENOOCJMSH-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221154346 1225243446 /nfs/dbraw/zinc/24/34/46/1225243446.db2.gz MMSUSENOOCJMSH-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001221161688 1225246124 /nfs/dbraw/zinc/24/61/24/1225246124.db2.gz ZNEABLZFZXSICA-CABCVRRESA-N 2 2 362.434 0.149 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001221161688 1225246130 /nfs/dbraw/zinc/24/61/30/1225246130.db2.gz ZNEABLZFZXSICA-CABCVRRESA-N 2 2 362.434 0.149 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162650 1225247432 /nfs/dbraw/zinc/24/74/32/1225247432.db2.gz CMVLYMPDRVXCHO-MOPGFXCFSA-N 2 2 361.486 0.706 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC2CC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162650 1225247441 /nfs/dbraw/zinc/24/74/41/1225247441.db2.gz CMVLYMPDRVXCHO-MOPGFXCFSA-N 2 2 361.486 0.706 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162650 1225247448 /nfs/dbraw/zinc/24/74/48/1225247448.db2.gz CMVLYMPDRVXCHO-MOPGFXCFSA-N 2 2 361.486 0.706 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O)Cc1ccccc1 ZINC001221162650 1225247453 /nfs/dbraw/zinc/24/74/53/1225247453.db2.gz CMVLYMPDRVXCHO-MOPGFXCFSA-N 2 2 361.486 0.706 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174715408 1210985312 /nfs/dbraw/zinc/98/53/12/1210985312.db2.gz IIEQAXFQRLEDDO-UHFFFAOYSA-N 2 2 362.474 0.981 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174715408 1210985315 /nfs/dbraw/zinc/98/53/15/1210985315.db2.gz IIEQAXFQRLEDDO-UHFFFAOYSA-N 2 2 362.474 0.981 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877723 1211007319 /nfs/dbraw/zinc/00/73/19/1211007319.db2.gz ZPFNKYPETADEJI-VQHPVUNQSA-N 2 2 366.462 0.019 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877723 1211007321 /nfs/dbraw/zinc/00/73/21/1211007321.db2.gz ZPFNKYPETADEJI-VQHPVUNQSA-N 2 2 366.462 0.019 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4cc[nH+]c(N)c4)[C@@H]3C2)n(C)n1 ZINC001274945883 1211149580 /nfs/dbraw/zinc/14/95/80/1211149580.db2.gz AOZHGHQBZJZMOB-DOTOQJQBSA-N 2 2 354.458 0.981 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4cc[nH+]c(N)c4)[C@@H]3C2)n(C)n1 ZINC001274945883 1211149582 /nfs/dbraw/zinc/14/95/82/1211149582.db2.gz AOZHGHQBZJZMOB-DOTOQJQBSA-N 2 2 354.458 0.981 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCC[C@@]3(C2)C[N@H+](CCn2ccnc2)CCO3)CC1 ZINC001274953504 1211151868 /nfs/dbraw/zinc/15/18/68/1211151868.db2.gz PKPKIRPSIDEHGL-SFHVURJKSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCC[C@@]3(C2)C[N@@H+](CCn2ccnc2)CCO3)CC1 ZINC001274953504 1211151870 /nfs/dbraw/zinc/15/18/70/1211151870.db2.gz PKPKIRPSIDEHGL-SFHVURJKSA-N 2 2 361.490 0.671 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001275152686 1211181879 /nfs/dbraw/zinc/18/18/79/1211181879.db2.gz NVCIYVWFAXPRRU-KXBFYZLASA-N 2 2 359.474 0.903 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC(=O)N3)CC2)C1=O ZINC001275152686 1211181881 /nfs/dbraw/zinc/18/18/81/1211181881.db2.gz NVCIYVWFAXPRRU-KXBFYZLASA-N 2 2 359.474 0.903 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152683 1211182186 /nfs/dbraw/zinc/18/21/86/1211182186.db2.gz NVCIYVWFAXPRRU-BEFAXECRSA-N 2 2 359.474 0.903 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](C[C@H]3CCC(=O)N3)CC2)C1=O ZINC001275152683 1211182189 /nfs/dbraw/zinc/18/21/89/1211182189.db2.gz NVCIYVWFAXPRRU-BEFAXECRSA-N 2 2 359.474 0.903 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169168 1211188793 /nfs/dbraw/zinc/18/87/93/1211188793.db2.gz CJABZSIUEVCASY-IBGZPJMESA-N 2 2 360.506 0.614 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CCC[N@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169168 1211188796 /nfs/dbraw/zinc/18/87/96/1211188796.db2.gz CJABZSIUEVCASY-IBGZPJMESA-N 2 2 360.506 0.614 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169168 1211188800 /nfs/dbraw/zinc/18/88/00/1211188800.db2.gz CJABZSIUEVCASY-IBGZPJMESA-N 2 2 360.506 0.614 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CCC[N@H+]3Cc3cn[nH]c3)C2=O)CC1 ZINC001275169168 1211188802 /nfs/dbraw/zinc/18/88/02/1211188802.db2.gz CJABZSIUEVCASY-IBGZPJMESA-N 2 2 360.506 0.614 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH+](C)CCN2C)n(C)n1 ZINC001275177279 1211189456 /nfs/dbraw/zinc/18/94/56/1211189456.db2.gz OVJDNNMPAGOKJR-OKZBNKHCSA-N 2 2 360.506 0.150 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[NH+](C)CCN2C)n(C)n1 ZINC001275177279 1211189458 /nfs/dbraw/zinc/18/94/58/1211189458.db2.gz OVJDNNMPAGOKJR-OKZBNKHCSA-N 2 2 360.506 0.150 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[N@H+](C)CCN2C)n(C)n1 ZINC001275177279 1211189459 /nfs/dbraw/zinc/18/94/59/1211189459.db2.gz OVJDNNMPAGOKJR-OKZBNKHCSA-N 2 2 360.506 0.150 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2C[N@@H+](C)CCN2C)n(C)n1 ZINC001275177279 1211189460 /nfs/dbraw/zinc/18/94/60/1211189460.db2.gz OVJDNNMPAGOKJR-OKZBNKHCSA-N 2 2 360.506 0.150 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC12CC[NH+](CCN1CCOCC1)CC2 ZINC001275287308 1211208560 /nfs/dbraw/zinc/20/85/60/1211208560.db2.gz NIDISSOCVDDERU-QGZVFWFLSA-N 2 2 361.490 0.434 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436599 1211236514 /nfs/dbraw/zinc/23/65/14/1211236514.db2.gz AXQWTZYJQCVYDK-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436599 1211236519 /nfs/dbraw/zinc/23/65/19/1211236519.db2.gz AXQWTZYJQCVYDK-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436599 1211236524 /nfs/dbraw/zinc/23/65/24/1211236524.db2.gz AXQWTZYJQCVYDK-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436599 1211236528 /nfs/dbraw/zinc/23/65/28/1211236528.db2.gz AXQWTZYJQCVYDK-LJQANCHMSA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436597 1211236642 /nfs/dbraw/zinc/23/66/42/1211236642.db2.gz AXQWTZYJQCVYDK-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436597 1211236646 /nfs/dbraw/zinc/23/66/46/1211236646.db2.gz AXQWTZYJQCVYDK-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436597 1211236649 /nfs/dbraw/zinc/23/66/49/1211236649.db2.gz AXQWTZYJQCVYDK-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@]3(CC[N@@H+](Cc4ncco4)C3)C2=O)CC1 ZINC001275436597 1211236653 /nfs/dbraw/zinc/23/66/53/1211236653.db2.gz AXQWTZYJQCVYDK-IBGZPJMESA-N 2 2 361.490 0.737 20 0 FCADLP COC[C@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001275455420 1211242063 /nfs/dbraw/zinc/24/20/63/1211242063.db2.gz KNILRODGDPUIOS-CRAIPNDOSA-N 2 2 362.430 0.249 20 0 FCADLP Cc1ncoc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275467373 1211245485 /nfs/dbraw/zinc/24/54/85/1211245485.db2.gz FJZXKIDQVSHMJO-SFHVURJKSA-N 2 2 359.430 0.931 20 0 FCADLP Cc1ncoc1C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275467373 1211245488 /nfs/dbraw/zinc/24/54/88/1211245488.db2.gz FJZXKIDQVSHMJO-SFHVURJKSA-N 2 2 359.430 0.931 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275508049 1211251881 /nfs/dbraw/zinc/25/18/81/1211251881.db2.gz NTRSVNZLCBRSPI-LJQANCHMSA-N 2 2 371.522 0.746 20 0 FCADLP COCCOCN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001275508049 1211251882 /nfs/dbraw/zinc/25/18/82/1211251882.db2.gz NTRSVNZLCBRSPI-LJQANCHMSA-N 2 2 371.522 0.746 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556224 1211256450 /nfs/dbraw/zinc/25/64/50/1211256450.db2.gz JKTSLOUILMNGJH-DOPJRALCSA-N 2 2 373.444 0.854 20 0 FCADLP CCOC(=O)[C@H](C)N1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556224 1211256452 /nfs/dbraw/zinc/25/64/52/1211256452.db2.gz JKTSLOUILMNGJH-DOPJRALCSA-N 2 2 373.444 0.854 20 0 FCADLP CC(=O)Oc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)cc1 ZINC001275599064 1211261938 /nfs/dbraw/zinc/26/19/38/1211261938.db2.gz XIBQZHHFUKCDKZ-UHFFFAOYSA-N 2 2 361.442 0.587 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880780 1211304967 /nfs/dbraw/zinc/30/49/67/1211304967.db2.gz WIEJDWXDGCBUSE-QMTMVMCOSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001275880780 1211304969 /nfs/dbraw/zinc/30/49/69/1211304969.db2.gz WIEJDWXDGCBUSE-QMTMVMCOSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001275880780 1211304970 /nfs/dbraw/zinc/30/49/70/1211304970.db2.gz WIEJDWXDGCBUSE-QMTMVMCOSA-N 2 2 364.490 0.433 20 0 FCADLP CC[C@H](C(N)=O)N1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001275880780 1211304971 /nfs/dbraw/zinc/30/49/71/1211304971.db2.gz WIEJDWXDGCBUSE-QMTMVMCOSA-N 2 2 364.490 0.433 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnc3c(c2)OCCO3)C1=O ZINC001275967310 1211318780 /nfs/dbraw/zinc/31/87/80/1211318780.db2.gz RSJJPFNOWFCORR-IBGZPJMESA-N 2 2 360.458 0.981 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc3c(c2)OCCO3)C1=O ZINC001275967310 1211318784 /nfs/dbraw/zinc/31/87/84/1211318784.db2.gz RSJJPFNOWFCORR-IBGZPJMESA-N 2 2 360.458 0.981 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)n1 ZINC001095429099 1211334560 /nfs/dbraw/zinc/33/45/60/1211334560.db2.gz FGRHGDMSSFDXAB-PVAVHDDUSA-N 2 2 374.489 0.012 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)n1 ZINC001095429099 1211334566 /nfs/dbraw/zinc/33/45/66/1211334566.db2.gz FGRHGDMSSFDXAB-PVAVHDDUSA-N 2 2 374.489 0.012 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(N)nc1)CC2 ZINC001276088480 1211349748 /nfs/dbraw/zinc/34/97/48/1211349748.db2.gz CJBQMUSITIQQTO-HNNXBMFYSA-N 2 2 355.446 0.711 20 0 FCADLP Nc1ncc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)cn1 ZINC001276089063 1211350316 /nfs/dbraw/zinc/35/03/16/1211350316.db2.gz GZKYVHYKBQAIBH-GOSISDBHSA-N 2 2 355.446 0.913 20 0 FCADLP Nc1ncc(C[N@H+]2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)cn1 ZINC001276089063 1211350319 /nfs/dbraw/zinc/35/03/19/1211350319.db2.gz GZKYVHYKBQAIBH-GOSISDBHSA-N 2 2 355.446 0.913 20 0 FCADLP CC/C=C\CC[NH+]1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276258379 1211395774 /nfs/dbraw/zinc/39/57/74/1211395774.db2.gz FMWJJOIXPVJTJS-PLNGDYQASA-N 2 2 364.534 0.893 20 0 FCADLP CC/C=C\CC[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276258379 1211395776 /nfs/dbraw/zinc/39/57/76/1211395776.db2.gz FMWJJOIXPVJTJS-PLNGDYQASA-N 2 2 364.534 0.893 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924468185 1211470449 /nfs/dbraw/zinc/47/04/49/1211470449.db2.gz UMURCPDDLBHSQV-SFHVURJKSA-N 2 2 373.501 0.806 20 0 FCADLP C[NH+](C)C[C@H]1NC(=O)N(Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1=O ZINC000924463828 1211470514 /nfs/dbraw/zinc/47/05/14/1211470514.db2.gz AFRPOWWGIUHBHX-MRXNPFEDSA-N 2 2 373.457 0.056 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634468 1211475466 /nfs/dbraw/zinc/47/54/66/1211475466.db2.gz NZLWSBPEHCJKBL-IRXDYDNUSA-N 3 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634468 1211475468 /nfs/dbraw/zinc/47/54/68/1211475468.db2.gz NZLWSBPEHCJKBL-IRXDYDNUSA-N 3 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634467 1211475745 /nfs/dbraw/zinc/47/57/45/1211475745.db2.gz NZLWSBPEHCJKBL-IAGOWNOFSA-N 3 2 363.506 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](C[NH+]4CCCCC4)C3=O)C2)CC1 ZINC000924634467 1211475747 /nfs/dbraw/zinc/47/57/47/1211475747.db2.gz NZLWSBPEHCJKBL-IAGOWNOFSA-N 3 2 363.506 0.561 20 0 FCADLP COc1ccc(C(=O)N2CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)cc1OC ZINC000925568750 1211502140 /nfs/dbraw/zinc/50/21/40/1211502140.db2.gz LVXSAGJVBHZKIA-INIZCTEOSA-N 2 2 363.458 0.886 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567755 1211503344 /nfs/dbraw/zinc/50/33/44/1211503344.db2.gz SNJOSKZCDPKYQS-VXGBXAGGSA-N 2 2 373.379 0.694 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567755 1211503349 /nfs/dbraw/zinc/50/33/49/1211503349.db2.gz SNJOSKZCDPKYQS-VXGBXAGGSA-N 2 2 373.379 0.694 20 0 FCADLP CC(C)[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000925662980 1211506300 /nfs/dbraw/zinc/50/63/00/1211506300.db2.gz MTSPKBGVTRVNIP-WERNOVKHSA-N 2 2 372.517 0.793 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000925768323 1211507978 /nfs/dbraw/zinc/50/79/78/1211507978.db2.gz JOUHUBZNSWRZHB-FUMNGEBKSA-N 3 2 366.550 0.530 20 0 FCADLP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221311673 1225293970 /nfs/dbraw/zinc/29/39/70/1225293970.db2.gz GJTXAKZQTLCXPI-TUKIKUTGSA-N 2 2 356.382 0.636 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001110935096 1211592110 /nfs/dbraw/zinc/59/21/10/1211592110.db2.gz XJVDELNRFNVJRF-YJNKXOJESA-N 2 2 365.478 0.025 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(N)=O)C1 ZINC001110935096 1211592113 /nfs/dbraw/zinc/59/21/13/1211592113.db2.gz XJVDELNRFNVJRF-YJNKXOJESA-N 2 2 365.478 0.025 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)C1 ZINC001110935096 1211592115 /nfs/dbraw/zinc/59/21/15/1211592115.db2.gz XJVDELNRFNVJRF-YJNKXOJESA-N 2 2 365.478 0.025 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)C1 ZINC001110935096 1211592119 /nfs/dbraw/zinc/59/21/19/1211592119.db2.gz XJVDELNRFNVJRF-YJNKXOJESA-N 2 2 365.478 0.025 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)CC1 ZINC001110953691 1211613396 /nfs/dbraw/zinc/61/33/96/1211613396.db2.gz DGPNDXCMLFTRCU-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)CC1 ZINC001110953691 1211613398 /nfs/dbraw/zinc/61/33/98/1211613398.db2.gz DGPNDXCMLFTRCU-ZACQAIPSSA-N 2 2 362.518 0.966 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1F ZINC000929697149 1211655292 /nfs/dbraw/zinc/65/52/92/1211655292.db2.gz UCDRKZCCTAIYOT-CQSZACIVSA-N 2 2 359.405 0.756 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1F ZINC000929697149 1211655300 /nfs/dbraw/zinc/65/53/00/1211655300.db2.gz UCDRKZCCTAIYOT-CQSZACIVSA-N 2 2 359.405 0.756 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)CC1 ZINC001110979168 1211674025 /nfs/dbraw/zinc/67/40/25/1211674025.db2.gz VVCAPBKBRVTDMK-NXHRZFHOSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)CC1 ZINC001110979168 1211674029 /nfs/dbraw/zinc/67/40/29/1211674029.db2.gz VVCAPBKBRVTDMK-NXHRZFHOSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(C4CCC4)c3)C2)CC1 ZINC000930171672 1211693711 /nfs/dbraw/zinc/69/37/11/1211693711.db2.gz UEZSUUFXPGLFMQ-CQSZACIVSA-N 2 2 374.489 0.831 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cnn(C4CCC4)c3)C2)CC1 ZINC000930171672 1211693715 /nfs/dbraw/zinc/69/37/15/1211693715.db2.gz UEZSUUFXPGLFMQ-CQSZACIVSA-N 2 2 374.489 0.831 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000931347486 1211751739 /nfs/dbraw/zinc/75/17/39/1211751739.db2.gz ULGARQRTTSNGID-SFHVURJKSA-N 2 2 359.518 0.794 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000931882154 1211778719 /nfs/dbraw/zinc/77/87/19/1211778719.db2.gz JGQAVORXIRJOSP-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000931882154 1211778721 /nfs/dbraw/zinc/77/87/21/1211778721.db2.gz JGQAVORXIRJOSP-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111022741 1211794532 /nfs/dbraw/zinc/79/45/32/1211794532.db2.gz VTRIKNGVBKXNMV-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111022741 1211794535 /nfs/dbraw/zinc/79/45/35/1211794535.db2.gz VTRIKNGVBKXNMV-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111022741 1211794540 /nfs/dbraw/zinc/79/45/40/1211794540.db2.gz VTRIKNGVBKXNMV-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111022741 1211794544 /nfs/dbraw/zinc/79/45/44/1211794544.db2.gz VTRIKNGVBKXNMV-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030468 1211806512 /nfs/dbraw/zinc/80/65/12/1211806512.db2.gz LQHVKYVKIXYOMA-QRVBRYPASA-N 2 2 372.513 0.971 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001111030468 1211806515 /nfs/dbraw/zinc/80/65/15/1211806515.db2.gz LQHVKYVKIXYOMA-QRVBRYPASA-N 2 2 372.513 0.971 20 0 FCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001111030468 1211806516 /nfs/dbraw/zinc/80/65/16/1211806516.db2.gz LQHVKYVKIXYOMA-QRVBRYPASA-N 2 2 372.513 0.971 20 0 FCADLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001111030468 1211806517 /nfs/dbraw/zinc/80/65/17/1211806517.db2.gz LQHVKYVKIXYOMA-QRVBRYPASA-N 2 2 372.513 0.971 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621669 1211813970 /nfs/dbraw/zinc/81/39/70/1211813970.db2.gz NGJIIBIPXNJDLA-KDOFPFPSSA-N 2 2 374.489 0.506 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621669 1211813971 /nfs/dbraw/zinc/81/39/71/1211813971.db2.gz NGJIIBIPXNJDLA-KDOFPFPSSA-N 2 2 374.489 0.506 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934220252 1211859279 /nfs/dbraw/zinc/85/92/79/1211859279.db2.gz POBQSORRJHTPAS-KURKYZTESA-N 2 2 367.490 0.047 20 0 FCADLP Cc1nc(N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001111141485 1211897118 /nfs/dbraw/zinc/89/71/18/1211897118.db2.gz BIWPCBJIPCGJBV-OGWOLHLISA-N 2 2 361.490 0.799 20 0 FCADLP Cc1nc(N2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001111141485 1211897119 /nfs/dbraw/zinc/89/71/19/1211897119.db2.gz BIWPCBJIPCGJBV-OGWOLHLISA-N 2 2 361.490 0.799 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153459 1211902364 /nfs/dbraw/zinc/90/23/64/1211902364.db2.gz LGNYPGALHLIRSY-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153459 1211902365 /nfs/dbraw/zinc/90/23/65/1211902365.db2.gz LGNYPGALHLIRSY-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001095741067 1211952509 /nfs/dbraw/zinc/95/25/09/1211952509.db2.gz PKYQDMIALBTNMY-IWCQGFGOSA-N 2 2 366.425 0.491 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001095741067 1211952512 /nfs/dbraw/zinc/95/25/12/1211952512.db2.gz PKYQDMIALBTNMY-IWCQGFGOSA-N 2 2 366.425 0.491 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)CC1 ZINC000968604399 1212043238 /nfs/dbraw/zinc/04/32/38/1212043238.db2.gz GNIAUBOWBGCDRU-SJORKVTESA-N 2 2 371.441 0.206 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1)C1CC1 ZINC000968605046 1212044345 /nfs/dbraw/zinc/04/43/45/1212044345.db2.gz HEMBMVIGAWSWSF-IKGGRYGDSA-N 2 2 371.441 0.205 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)C1 ZINC000968605379 1212045492 /nfs/dbraw/zinc/04/54/92/1212045492.db2.gz WIMPFRPPAQDSRQ-JLZZUVOBSA-N 2 2 371.441 0.206 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)C1 ZINC000968605379 1212045501 /nfs/dbraw/zinc/04/55/01/1212045501.db2.gz WIMPFRPPAQDSRQ-JLZZUVOBSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000968711754 1212092269 /nfs/dbraw/zinc/09/22/69/1212092269.db2.gz FIJQWIDRJPXDPF-BRWVUGGUSA-N 2 2 369.473 0.636 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2cn(C)nn2)O1 ZINC000968913645 1212176993 /nfs/dbraw/zinc/17/69/93/1212176993.db2.gz IPCPLYQIFISIRO-DJIMGWMZSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2cn(C)nn2)O1 ZINC000968913645 1212176999 /nfs/dbraw/zinc/17/69/99/1212176999.db2.gz IPCPLYQIFISIRO-DJIMGWMZSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2cn(C)nn2)O1 ZINC000968913645 1212177005 /nfs/dbraw/zinc/17/70/05/1212177005.db2.gz IPCPLYQIFISIRO-DJIMGWMZSA-N 2 2 364.494 0.395 20 0 FCADLP 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C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc3nonc3c2)O1 ZINC001038399512 1214354376 /nfs/dbraw/zinc/35/43/76/1214354376.db2.gz MGWMONMYRBPZGD-SUYBPPKGSA-N 2 2 359.430 0.632 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039638345 1214423491 /nfs/dbraw/zinc/42/34/91/1214423491.db2.gz ZKCVSDXTJLFIKJ-CVEARBPZSA-N 2 2 370.461 0.725 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039638345 1214423497 /nfs/dbraw/zinc/42/34/97/1214423497.db2.gz ZKCVSDXTJLFIKJ-CVEARBPZSA-N 2 2 370.461 0.725 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919297 1225534444 /nfs/dbraw/zinc/53/44/44/1225534444.db2.gz HSNVTVYETBSYRP-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919297 1225534447 /nfs/dbraw/zinc/53/44/47/1225534447.db2.gz HSNVTVYETBSYRP-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919297 1225534452 /nfs/dbraw/zinc/53/44/52/1225534452.db2.gz HSNVTVYETBSYRP-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919297 1225534455 /nfs/dbraw/zinc/53/44/55/1225534455.db2.gz HSNVTVYETBSYRP-HUUCEWRRSA-N 2 2 367.494 0.097 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001221919487 1225535259 /nfs/dbraw/zinc/53/52/59/1225535259.db2.gz RDOAHWOONPYMPY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001221919487 1225535262 /nfs/dbraw/zinc/53/52/62/1225535262.db2.gz RDOAHWOONPYMPY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001221919487 1225535264 /nfs/dbraw/zinc/53/52/64/1225535264.db2.gz RDOAHWOONPYMPY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@H]21 ZINC001221919487 1225535270 /nfs/dbraw/zinc/53/52/70/1225535270.db2.gz RDOAHWOONPYMPY-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001221942438 1225544193 /nfs/dbraw/zinc/54/41/93/1225544193.db2.gz LQFSJFVEUQQETR-QGPMSJSTSA-N 2 2 371.441 0.421 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001221942438 1225544198 /nfs/dbraw/zinc/54/41/98/1225544198.db2.gz LQFSJFVEUQQETR-QGPMSJSTSA-N 2 2 371.441 0.421 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc(C(C)C)[nH+]1 ZINC001041108784 1214704957 /nfs/dbraw/zinc/70/49/57/1214704957.db2.gz OGYVADVRLZOQHS-HUUCEWRRSA-N 2 2 359.474 0.670 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950459 1225549300 /nfs/dbraw/zinc/54/93/00/1225549300.db2.gz JCDJSNHWBRXIGY-USXIJHARSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221950459 1225549306 /nfs/dbraw/zinc/54/93/06/1225549306.db2.gz JCDJSNHWBRXIGY-USXIJHARSA-N 2 2 366.506 0.012 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952206 1225549744 /nfs/dbraw/zinc/54/97/44/1225549744.db2.gz SBOSIVRFBNPAOU-RHSMWYFYSA-N 2 2 359.474 0.820 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952206 1225549748 /nfs/dbraw/zinc/54/97/48/1225549748.db2.gz SBOSIVRFBNPAOU-RHSMWYFYSA-N 2 2 359.474 0.820 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001041173077 1214734125 /nfs/dbraw/zinc/73/41/25/1214734125.db2.gz YBDBOIUBDFASEC-IXDOHACOSA-N 2 2 361.490 0.886 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001041173077 1214734127 /nfs/dbraw/zinc/73/41/27/1214734127.db2.gz YBDBOIUBDFASEC-IXDOHACOSA-N 2 2 361.490 0.886 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000967368856 1215234264 /nfs/dbraw/zinc/23/42/64/1215234264.db2.gz QRWXQORTMBSDQN-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000967368856 1215234267 /nfs/dbraw/zinc/23/42/67/1215234267.db2.gz QRWXQORTMBSDQN-BZUAXINKSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000968011350 1215272697 /nfs/dbraw/zinc/27/26/97/1215272697.db2.gz BCXQHZSAYIKDRS-MWQQHZPXSA-N 2 2 373.501 0.923 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000968011350 1215272702 /nfs/dbraw/zinc/27/27/02/1215272702.db2.gz BCXQHZSAYIKDRS-MWQQHZPXSA-N 2 2 373.501 0.923 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001000008349 1215990444 /nfs/dbraw/zinc/99/04/44/1215990444.db2.gz MIWMOVLYCXOFKR-HUUCEWRRSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001000008349 1215990448 /nfs/dbraw/zinc/99/04/48/1215990448.db2.gz MIWMOVLYCXOFKR-HUUCEWRRSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001000232038 1216025614 /nfs/dbraw/zinc/02/56/14/1216025614.db2.gz MLTAYTKGTKIPRN-ARFHVFGLSA-N 2 2 359.474 0.727 20 0 FCADLP Cc1cnc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001000839022 1216119431 /nfs/dbraw/zinc/11/94/31/1216119431.db2.gz ZTQFRXQUCDFIQB-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1cnc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001000839022 1216119432 /nfs/dbraw/zinc/11/94/32/1216119432.db2.gz ZTQFRXQUCDFIQB-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1cnc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001000839022 1216119434 /nfs/dbraw/zinc/11/94/34/1216119434.db2.gz ZTQFRXQUCDFIQB-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001000839022 1216119435 /nfs/dbraw/zinc/11/94/35/1216119435.db2.gz ZTQFRXQUCDFIQB-CRAIPNDOSA-N 2 2 359.474 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3nnnn3C3CC3)CC2)CC[N@@H+]1C ZINC001001420745 1216193473 /nfs/dbraw/zinc/19/34/73/1216193473.db2.gz ORYLWPYMAWNLTB-CZUORRHYSA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3nnnn3C3CC3)CC2)CC[N@H+]1C ZINC001001420745 1216193483 /nfs/dbraw/zinc/19/34/83/1216193483.db2.gz ORYLWPYMAWNLTB-CZUORRHYSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001419487 1216193840 /nfs/dbraw/zinc/19/38/40/1216193840.db2.gz WAZLRDOGOMTBPU-GDBMZVCRSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001419487 1216193862 /nfs/dbraw/zinc/19/38/62/1216193862.db2.gz WAZLRDOGOMTBPU-GDBMZVCRSA-N 2 2 363.510 0.922 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)CC[N@@H+]1C ZINC001050050827 1216272877 /nfs/dbraw/zinc/27/28/77/1216272877.db2.gz IJUCOHDAZBVXHC-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cn(C)nn4)C[C@H]32)CC[N@H+]1C ZINC001050050827 1216272883 /nfs/dbraw/zinc/27/28/83/1216272883.db2.gz IJUCOHDAZBVXHC-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@H]32)CC[NH+]1C ZINC001050050827 1216272891 /nfs/dbraw/zinc/27/28/91/1216272891.db2.gz IJUCOHDAZBVXHC-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@H]32)CC[NH+]1C ZINC001050050827 1216272900 /nfs/dbraw/zinc/27/29/00/1216272900.db2.gz IJUCOHDAZBVXHC-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843392 1225662500 /nfs/dbraw/zinc/66/25/00/1225662500.db2.gz FYRMIJVGYZCGRN-KSSFIOAISA-N 2 2 362.430 0.676 20 0 FCADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276843392 1225662504 /nfs/dbraw/zinc/66/25/04/1225662504.db2.gz FYRMIJVGYZCGRN-KSSFIOAISA-N 2 2 362.430 0.676 20 0 FCADLP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001050337025 1216309680 /nfs/dbraw/zinc/30/96/80/1216309680.db2.gz WMOJDNZNWJBKEY-DTZQCDIJSA-N 2 2 365.478 0.862 20 0 FCADLP Cc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001050337025 1216309686 /nfs/dbraw/zinc/30/96/86/1216309686.db2.gz WMOJDNZNWJBKEY-DTZQCDIJSA-N 2 2 365.478 0.862 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1[nH+]cnc2c1cnn2C ZINC001050389454 1216315726 /nfs/dbraw/zinc/31/57/26/1216315726.db2.gz UYXGYBDMMFNPJW-DOMZBBRYSA-N 2 2 357.462 0.789 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)c[nH+]1 ZINC001222968498 1225671238 /nfs/dbraw/zinc/67/12/38/1225671238.db2.gz LCAYQIHRDKSGKK-SJORKVTESA-N 2 2 364.490 0.858 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)c[nH+]1 ZINC001222968498 1225671240 /nfs/dbraw/zinc/67/12/40/1225671240.db2.gz LCAYQIHRDKSGKK-SJORKVTESA-N 2 2 364.490 0.858 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001222993514 1225671900 /nfs/dbraw/zinc/67/19/00/1225671900.db2.gz RJRRWHTXGILPOI-NUJGCVRESA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001222993514 1225671903 /nfs/dbraw/zinc/67/19/03/1225671903.db2.gz RJRRWHTXGILPOI-NUJGCVRESA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223014082 1225674066 /nfs/dbraw/zinc/67/40/66/1225674066.db2.gz XMZCRQYHSBKGDT-IKGGRYGDSA-N 2 2 362.474 0.377 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223014082 1225674068 /nfs/dbraw/zinc/67/40/68/1225674068.db2.gz XMZCRQYHSBKGDT-IKGGRYGDSA-N 2 2 362.474 0.377 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001051834101 1216484491 /nfs/dbraw/zinc/48/44/91/1216484491.db2.gz GUQORDMDHNSMKP-BZUAXINKSA-N 2 2 358.446 0.274 20 0 FCADLP Cc1nccnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834428 1216484632 /nfs/dbraw/zinc/48/46/32/1216484632.db2.gz NCWPTROWIQWBOM-BZUAXINKSA-N 2 2 370.457 0.639 20 0 FCADLP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH+](C)C ZINC001057970079 1216615597 /nfs/dbraw/zinc/61/55/97/1216615597.db2.gz WSUKUKNUNOQCLJ-FMKPAKJESA-N 2 2 365.478 0.037 20 0 FCADLP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH+](C)C ZINC001057970079 1216615602 /nfs/dbraw/zinc/61/56/02/1216615602.db2.gz WSUKUKNUNOQCLJ-FMKPAKJESA-N 2 2 365.478 0.037 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC001137440786 1216629714 /nfs/dbraw/zinc/62/97/14/1216629714.db2.gz FWJCDBOFZAQSRD-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC001137440786 1216629721 /nfs/dbraw/zinc/62/97/21/1216629721.db2.gz FWJCDBOFZAQSRD-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962102 1216868703 /nfs/dbraw/zinc/86/87/03/1216868703.db2.gz FGIIZCBRVJCAKL-BMFZPTHFSA-N 2 2 361.425 0.438 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962102 1216868706 /nfs/dbraw/zinc/86/87/06/1216868706.db2.gz FGIIZCBRVJCAKL-BMFZPTHFSA-N 2 2 361.425 0.438 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962335 1216869642 /nfs/dbraw/zinc/86/96/42/1216869642.db2.gz QPDNYULSOYQXHZ-OIISXLGYSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001069962335 1216869643 /nfs/dbraw/zinc/86/96/43/1216869643.db2.gz QPDNYULSOYQXHZ-OIISXLGYSA-N 2 2 355.446 0.489 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001069964032 1216871034 /nfs/dbraw/zinc/87/10/34/1216871034.db2.gz VERNGJBHOLIYBC-QGTPRVQTSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)C2 ZINC001069964032 1216871037 /nfs/dbraw/zinc/87/10/37/1216871037.db2.gz VERNGJBHOLIYBC-QGTPRVQTSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001069964032 1216871039 /nfs/dbraw/zinc/87/10/39/1216871039.db2.gz VERNGJBHOLIYBC-QGTPRVQTSA-N 2 2 369.473 0.866 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC3CC3)C[C@@H]1n1ccnn1)CC2 ZINC001069964032 1216871042 /nfs/dbraw/zinc/87/10/42/1216871042.db2.gz VERNGJBHOLIYBC-QGTPRVQTSA-N 2 2 369.473 0.866 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970396 1216875945 /nfs/dbraw/zinc/87/59/45/1216875945.db2.gz CUQYKCCZCCJNMG-XYPHTWIQSA-N 2 2 369.429 0.616 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970396 1216875947 /nfs/dbraw/zinc/87/59/47/1216875947.db2.gz CUQYKCCZCCJNMG-XYPHTWIQSA-N 2 2 369.429 0.616 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069980329 1216882637 /nfs/dbraw/zinc/88/26/37/1216882637.db2.gz PAMRTHAENHOODA-OLZOCXBDSA-N 2 2 371.367 0.777 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001069980329 1216882638 /nfs/dbraw/zinc/88/26/38/1216882638.db2.gz PAMRTHAENHOODA-OLZOCXBDSA-N 2 2 371.367 0.777 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070009334 1216896124 /nfs/dbraw/zinc/89/61/24/1216896124.db2.gz UYXYCZIBGZXVBL-CABCVRRESA-N 2 2 362.434 0.234 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070009334 1216896128 /nfs/dbraw/zinc/89/61/28/1216896128.db2.gz UYXYCZIBGZXVBL-CABCVRRESA-N 2 2 362.434 0.234 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024510 1216903388 /nfs/dbraw/zinc/90/33/88/1216903388.db2.gz STGZWABVXIQBOP-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024510 1216903392 /nfs/dbraw/zinc/90/33/92/1216903392.db2.gz STGZWABVXIQBOP-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024510 1216903395 /nfs/dbraw/zinc/90/33/95/1216903395.db2.gz STGZWABVXIQBOP-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024510 1216903400 /nfs/dbraw/zinc/90/34/00/1216903400.db2.gz STGZWABVXIQBOP-XHSDSOJGSA-N 2 2 364.494 0.386 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)no1 ZINC001223429893 1225705619 /nfs/dbraw/zinc/70/56/19/1225705619.db2.gz DDCCEZYSGFCEJJ-CABCVRRESA-N 2 2 363.462 0.796 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)no1 ZINC001223429893 1225705623 /nfs/dbraw/zinc/70/56/23/1225705623.db2.gz DDCCEZYSGFCEJJ-CABCVRRESA-N 2 2 363.462 0.796 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223481875 1225708854 /nfs/dbraw/zinc/70/88/54/1225708854.db2.gz DLQBNHICYLQFLD-INMHGKMJSA-N 2 2 362.474 0.761 20 0 FCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223481875 1225708855 /nfs/dbraw/zinc/70/88/55/1225708855.db2.gz DLQBNHICYLQFLD-INMHGKMJSA-N 2 2 362.474 0.761 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223571996 1225717277 /nfs/dbraw/zinc/71/72/77/1225717277.db2.gz AKVNLYBCNYQMDD-NXHRZFHOSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223571996 1225717281 /nfs/dbraw/zinc/71/72/81/1225717281.db2.gz AKVNLYBCNYQMDD-NXHRZFHOSA-N 2 2 364.490 0.909 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c(C)c(C)[nH+]1 ZINC001041311731 1217277571 /nfs/dbraw/zinc/27/75/71/1217277571.db2.gz YFZUOUPMUDOPLW-IAOMBJDPSA-N 2 2 361.490 0.798 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c(C)c(C)[nH+]1 ZINC001041311731 1217277576 /nfs/dbraw/zinc/27/75/76/1217277576.db2.gz YFZUOUPMUDOPLW-IAOMBJDPSA-N 2 2 361.490 0.798 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@H]1O)C2 ZINC001041339999 1217286144 /nfs/dbraw/zinc/28/61/44/1217286144.db2.gz MMGBCZWLXDHKFK-DJIMGWMZSA-N 2 2 370.457 0.527 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001041403194 1217313660 /nfs/dbraw/zinc/31/36/60/1217313660.db2.gz JAIRHVDHMSPLJN-BRWVUGGUSA-N 2 2 361.490 0.942 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001041403194 1217313666 /nfs/dbraw/zinc/31/36/66/1217313666.db2.gz JAIRHVDHMSPLJN-BRWVUGGUSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)nc1 ZINC001223916294 1225745937 /nfs/dbraw/zinc/74/59/37/1225745937.db2.gz FEMYTZYUPNNHOD-SJORKVTESA-N 2 2 361.490 0.786 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)nc1 ZINC001223916294 1225745942 /nfs/dbraw/zinc/74/59/42/1225745942.db2.gz FEMYTZYUPNNHOD-SJORKVTESA-N 2 2 361.490 0.786 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)nc(C)[nH+]1 ZINC001042862590 1217487994 /nfs/dbraw/zinc/48/79/94/1217487994.db2.gz LANPWYNTBOHXIT-HZPDHXFCSA-N 2 2 359.474 0.763 20 0 FCADLP Cc1cc(C)nc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276933314 1225748734 /nfs/dbraw/zinc/74/87/34/1225748734.db2.gz NDEDCRANECRMDR-IBGZPJMESA-N 2 2 361.490 0.706 20 0 FCADLP Cc1cc(C)nc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC001276933314 1225748735 /nfs/dbraw/zinc/74/87/35/1225748735.db2.gz NDEDCRANECRMDR-IBGZPJMESA-N 2 2 361.490 0.706 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(F)cn1 ZINC001276944692 1225754807 /nfs/dbraw/zinc/75/48/07/1225754807.db2.gz WFMCRRAHPJMRDX-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP COc1cc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(F)cn1 ZINC001276944692 1225754810 /nfs/dbraw/zinc/75/48/10/1225754810.db2.gz WFMCRRAHPJMRDX-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043337336 1217638006 /nfs/dbraw/zinc/63/80/06/1217638006.db2.gz KLZKIYSTVORSRB-UHOFOFEASA-N 2 2 369.473 0.964 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)[nH+]1 ZINC001043518169 1217668961 /nfs/dbraw/zinc/66/89/61/1217668961.db2.gz UMKFTHSKZQFEAW-GZBFAFLISA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)[nH+]1 ZINC001043518169 1217668965 /nfs/dbraw/zinc/66/89/65/1217668965.db2.gz UMKFTHSKZQFEAW-GZBFAFLISA-N 2 2 361.494 0.847 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]21 ZINC001043729815 1217721780 /nfs/dbraw/zinc/72/17/80/1217721780.db2.gz YTBPDWQXCSNCMP-JKSUJKDBSA-N 2 2 356.430 0.715 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044192468 1217815877 /nfs/dbraw/zinc/81/58/77/1217815877.db2.gz YBDBOIUBDFASEC-IKGGRYGDSA-N 2 2 361.490 0.886 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044192468 1217815879 /nfs/dbraw/zinc/81/58/79/1217815879.db2.gz YBDBOIUBDFASEC-IKGGRYGDSA-N 2 2 361.490 0.886 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044194534 1217815905 /nfs/dbraw/zinc/81/59/05/1217815905.db2.gz VAZKEBCMPIWYLQ-SJORKVTESA-N 2 2 361.490 0.745 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306494 1225771601 /nfs/dbraw/zinc/77/16/01/1225771601.db2.gz KWPQDVARKJPZKN-WBVHZDCISA-N 2 2 357.462 0.915 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001224306494 1225771608 /nfs/dbraw/zinc/77/16/08/1225771608.db2.gz KWPQDVARKJPZKN-WBVHZDCISA-N 2 2 357.462 0.915 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001044941844 1217890615 /nfs/dbraw/zinc/89/06/15/1217890615.db2.gz QNQIOFGJXNNWHZ-BPUTZDHNSA-N 2 2 369.473 0.885 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001044941844 1217890617 /nfs/dbraw/zinc/89/06/17/1217890617.db2.gz QNQIOFGJXNNWHZ-BPUTZDHNSA-N 2 2 369.473 0.885 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001096012706 1217908596 /nfs/dbraw/zinc/90/85/96/1217908596.db2.gz WIFFYCQTRUYENG-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001096012706 1217908600 /nfs/dbraw/zinc/90/86/00/1217908600.db2.gz WIFFYCQTRUYENG-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001096012706 1217908604 /nfs/dbraw/zinc/90/86/04/1217908604.db2.gz WIFFYCQTRUYENG-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001096012706 1217908609 /nfs/dbraw/zinc/90/86/09/1217908609.db2.gz WIFFYCQTRUYENG-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001045478984 1217932347 /nfs/dbraw/zinc/93/23/47/1217932347.db2.gz LTQVBHREBWYLHO-NVXWUHKLSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001045478984 1217932351 /nfs/dbraw/zinc/93/23/51/1217932351.db2.gz LTQVBHREBWYLHO-NVXWUHKLSA-N 2 2 361.490 0.975 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001096044199 1217952368 /nfs/dbraw/zinc/95/23/68/1217952368.db2.gz CWJJWZHAJKIFRU-ZBRFXRBCSA-N 2 2 356.470 0.539 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001096044199 1217952373 /nfs/dbraw/zinc/95/23/73/1217952373.db2.gz CWJJWZHAJKIFRU-ZBRFXRBCSA-N 2 2 356.470 0.539 20 0 FCADLP C[NH+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001096044199 1217952380 /nfs/dbraw/zinc/95/23/80/1217952380.db2.gz CWJJWZHAJKIFRU-ZBRFXRBCSA-N 2 2 356.470 0.539 20 0 FCADLP C[NH+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)[C@@H](c2ccccc2)C1 ZINC001096044199 1217952381 /nfs/dbraw/zinc/95/23/81/1217952381.db2.gz CWJJWZHAJKIFRU-ZBRFXRBCSA-N 2 2 356.470 0.539 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)c2)CCO1 ZINC000900368765 1217982661 /nfs/dbraw/zinc/98/26/61/1217982661.db2.gz MDKCYJYOKOIEAQ-ZTNFWEORSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)c2)CCO1 ZINC000900368765 1217982669 /nfs/dbraw/zinc/98/26/69/1217982669.db2.gz MDKCYJYOKOIEAQ-ZTNFWEORSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)c2)CCO1 ZINC000900368765 1217982675 /nfs/dbraw/zinc/98/26/75/1217982675.db2.gz MDKCYJYOKOIEAQ-ZTNFWEORSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)c2)CCO1 ZINC000900368765 1217982684 /nfs/dbraw/zinc/98/26/84/1217982684.db2.gz MDKCYJYOKOIEAQ-ZTNFWEORSA-N 2 2 361.486 0.979 20 0 FCADLP Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668952 1218021405 /nfs/dbraw/zinc/02/14/05/1218021405.db2.gz HFQAIWUSAYYYKT-HNNXBMFYSA-N 2 2 361.490 0.591 20 0 FCADLP Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668952 1218021412 /nfs/dbraw/zinc/02/14/12/1218021412.db2.gz HFQAIWUSAYYYKT-HNNXBMFYSA-N 2 2 361.490 0.591 20 0 FCADLP CC(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224583004 1225785865 /nfs/dbraw/zinc/78/58/65/1225785865.db2.gz HMACMWHNQAZUAU-HZPDHXFCSA-N 2 2 361.490 0.876 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047429090 1218143378 /nfs/dbraw/zinc/14/33/78/1218143378.db2.gz XBYUMUJUBDSDFC-XFKAJCMBSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1ncccc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047429090 1218143382 /nfs/dbraw/zinc/14/33/82/1218143382.db2.gz XBYUMUJUBDSDFC-XFKAJCMBSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047429090 1218143385 /nfs/dbraw/zinc/14/33/85/1218143385.db2.gz XBYUMUJUBDSDFC-XFKAJCMBSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047429090 1218143389 /nfs/dbraw/zinc/14/33/89/1218143389.db2.gz XBYUMUJUBDSDFC-XFKAJCMBSA-N 2 2 362.474 0.113 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC001047663596 1218173070 /nfs/dbraw/zinc/17/30/70/1218173070.db2.gz PKUIBMAFJXWAKW-HYVNUMGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC001047663596 1218173073 /nfs/dbraw/zinc/17/30/73/1218173073.db2.gz PKUIBMAFJXWAKW-HYVNUMGLSA-N 2 2 369.473 0.877 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3cnc(F)cn3)CC2)CC[N@@H+]1C ZINC001096308000 1218233926 /nfs/dbraw/zinc/23/39/26/1218233926.db2.gz UHJQJYVTJALGBB-LSDHHAIUSA-N 2 2 364.469 0.584 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3cnc(F)cn3)CC2)CC[N@H+]1C ZINC001096308000 1218233930 /nfs/dbraw/zinc/23/39/30/1218233930.db2.gz UHJQJYVTJALGBB-LSDHHAIUSA-N 2 2 364.469 0.584 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001096435101 1218331994 /nfs/dbraw/zinc/33/19/94/1218331994.db2.gz UDWFKYUHYPESKP-JHNDHUHGSA-N 2 2 358.446 0.240 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001096435101 1218332001 /nfs/dbraw/zinc/33/20/01/1218332001.db2.gz UDWFKYUHYPESKP-JHNDHUHGSA-N 2 2 358.446 0.240 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)n1 ZINC001049066276 1218373419 /nfs/dbraw/zinc/37/34/19/1218373419.db2.gz COQVFFPPWXUAOI-YALNPMBYSA-N 2 2 354.458 0.848 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)n1 ZINC001049066276 1218373426 /nfs/dbraw/zinc/37/34/26/1218373426.db2.gz COQVFFPPWXUAOI-YALNPMBYSA-N 2 2 354.458 0.848 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803349718 1218393374 /nfs/dbraw/zinc/39/33/74/1218393374.db2.gz AQPUGRMNJLRXCS-UHFFFAOYSA-N 2 2 373.457 0.525 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001049390279 1218434927 /nfs/dbraw/zinc/43/49/27/1218434927.db2.gz XBBMXNVHJCJQHS-CABCVRRESA-N 2 2 369.473 0.744 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000803672487 1218473155 /nfs/dbraw/zinc/47/31/55/1218473155.db2.gz XVNNHFQOIZLYCE-LRDDRELGSA-N 2 2 360.458 0.922 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000803672487 1218473159 /nfs/dbraw/zinc/47/31/59/1218473159.db2.gz XVNNHFQOIZLYCE-LRDDRELGSA-N 2 2 360.458 0.922 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001225946958 1225829015 /nfs/dbraw/zinc/82/90/15/1225829015.db2.gz MZTQPBHAZKLONO-HUUCEWRRSA-N 2 2 363.462 0.218 20 0 FCADLP NC(=O)Cc1cccc2c1CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903934738 1218567942 /nfs/dbraw/zinc/56/79/42/1218567942.db2.gz JNUZUYPDGUSDBV-INIZCTEOSA-N 2 2 354.458 0.789 20 0 FCADLP NC(=O)Cc1cccc2c1CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903934738 1218567946 /nfs/dbraw/zinc/56/79/46/1218567946.db2.gz JNUZUYPDGUSDBV-INIZCTEOSA-N 2 2 354.458 0.789 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCC=CO3)CC2)CC1 ZINC000804007678 1218580601 /nfs/dbraw/zinc/58/06/01/1218580601.db2.gz GFWXVRGAXMQRAI-KRWDZBQOSA-N 2 2 364.490 0.470 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001096914209 1218638988 /nfs/dbraw/zinc/63/89/88/1218638988.db2.gz KWIMFFITDGGDOL-YRXWBPOGSA-N 2 2 359.470 0.731 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(CO)cc2)C1 ZINC001096914209 1218638990 /nfs/dbraw/zinc/63/89/90/1218638990.db2.gz KWIMFFITDGGDOL-YRXWBPOGSA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(CO)cc2)C1 ZINC001096914209 1218638991 /nfs/dbraw/zinc/63/89/91/1218638991.db2.gz KWIMFFITDGGDOL-YRXWBPOGSA-N 2 2 359.470 0.731 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(CO)cc2)C1 ZINC001096914209 1218638992 /nfs/dbraw/zinc/63/89/92/1218638992.db2.gz KWIMFFITDGGDOL-YRXWBPOGSA-N 2 2 359.470 0.731 20 0 FCADLP CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)cn1 ZINC001096914488 1218639119 /nfs/dbraw/zinc/63/91/19/1218639119.db2.gz VVHGTBWOXKOGLO-ZJPYXAASSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)cn1 ZINC001096914488 1218639122 /nfs/dbraw/zinc/63/91/22/1218639122.db2.gz VVHGTBWOXKOGLO-ZJPYXAASSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)cn1 ZINC001096914488 1218639128 /nfs/dbraw/zinc/63/91/28/1218639128.db2.gz VVHGTBWOXKOGLO-ZJPYXAASSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)cn1 ZINC001096914488 1218639135 /nfs/dbraw/zinc/63/91/35/1218639135.db2.gz VVHGTBWOXKOGLO-ZJPYXAASSA-N 2 2 361.490 0.498 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001097112708 1218691262 /nfs/dbraw/zinc/69/12/62/1218691262.db2.gz AIWIUPXMYQZQPN-WCXIOVBPSA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001097112708 1218691267 /nfs/dbraw/zinc/69/12/67/1218691267.db2.gz AIWIUPXMYQZQPN-WCXIOVBPSA-N 2 2 371.485 0.762 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001097220049 1218726133 /nfs/dbraw/zinc/72/61/33/1218726133.db2.gz QZAYBDPYZZZOSD-WCVJEAGWSA-N 2 2 372.473 0.507 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001097220049 1218726137 /nfs/dbraw/zinc/72/61/37/1218726137.db2.gz QZAYBDPYZZZOSD-WCVJEAGWSA-N 2 2 372.473 0.507 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCCC2)O1 ZINC001097323057 1218776209 /nfs/dbraw/zinc/77/62/09/1218776209.db2.gz QSAFBVFJILHCKC-OVYGPGRDSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCCC2)O1 ZINC001097323057 1218776215 /nfs/dbraw/zinc/77/62/15/1218776215.db2.gz QSAFBVFJILHCKC-OVYGPGRDSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCCC2)O1 ZINC001097323057 1218776222 /nfs/dbraw/zinc/77/62/22/1218776222.db2.gz QSAFBVFJILHCKC-OVYGPGRDSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCCC2)O1 ZINC001097323057 1218776226 /nfs/dbraw/zinc/77/62/26/1218776226.db2.gz QSAFBVFJILHCKC-OVYGPGRDSA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097707047 1218839556 /nfs/dbraw/zinc/83/95/56/1218839556.db2.gz HXNCBIWIDIYZDP-NCOADZHNSA-N 2 2 362.478 0.109 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCn2cncn2)C1 ZINC001097707047 1218839557 /nfs/dbraw/zinc/83/95/57/1218839557.db2.gz HXNCBIWIDIYZDP-NCOADZHNSA-N 2 2 362.478 0.109 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)C1 ZINC001097707047 1218839558 /nfs/dbraw/zinc/83/95/58/1218839558.db2.gz HXNCBIWIDIYZDP-NCOADZHNSA-N 2 2 362.478 0.109 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)C1 ZINC001097707047 1218839559 /nfs/dbraw/zinc/83/95/59/1218839559.db2.gz HXNCBIWIDIYZDP-NCOADZHNSA-N 2 2 362.478 0.109 20 0 FCADLP Cc1nccc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736343 1218862105 /nfs/dbraw/zinc/86/21/05/1218862105.db2.gz DTNCALRHXDEGPW-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1nccc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736343 1218862106 /nfs/dbraw/zinc/86/21/06/1218862106.db2.gz DTNCALRHXDEGPW-BZUAXINKSA-N 2 2 369.473 0.877 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1Nc1ncccn1 ZINC001052736738 1218862350 /nfs/dbraw/zinc/86/23/50/1218862350.db2.gz QVOVJQNSGIJLLX-HUUCEWRRSA-N 2 2 367.457 0.712 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000826927010 1218911892 /nfs/dbraw/zinc/91/18/92/1218911892.db2.gz VCXULSPSZXKDQT-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000826927010 1218911898 /nfs/dbraw/zinc/91/18/98/1218911898.db2.gz VCXULSPSZXKDQT-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227164720 1225864696 /nfs/dbraw/zinc/86/46/96/1225864696.db2.gz FIZWZTDUIIPBIY-USXIJHARSA-N 2 2 361.490 0.989 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1)NC1CC1 ZINC001227164686 1225864717 /nfs/dbraw/zinc/86/47/17/1225864717.db2.gz DZFKTUBGXYOUGM-KBRIMQKVSA-N 2 2 359.474 0.741 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227164785 1225864745 /nfs/dbraw/zinc/86/47/45/1225864745.db2.gz GUMMNSIUFOOIEO-USXIJHARSA-N 2 2 361.490 0.941 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)no1 ZINC001227212170 1225866343 /nfs/dbraw/zinc/86/63/43/1225866343.db2.gz PEIAGUNXUAUWDF-HUUCEWRRSA-N 2 2 363.462 0.645 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060400 1219120798 /nfs/dbraw/zinc/12/07/98/1219120798.db2.gz UJIJNCJMRQRQKU-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060400 1219120805 /nfs/dbraw/zinc/12/08/05/1219120805.db2.gz UJIJNCJMRQRQKU-ZACQAIPSSA-N 2 2 364.494 0.386 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)o1 ZINC001070158240 1219243628 /nfs/dbraw/zinc/24/36/28/1219243628.db2.gz BWJOVTIYXXHYSD-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)o1 ZINC001070158240 1219243631 /nfs/dbraw/zinc/24/36/31/1219243631.db2.gz BWJOVTIYXXHYSD-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158912 1219246205 /nfs/dbraw/zinc/24/62/05/1219246205.db2.gz WWGOVIHNCKBWJS-IKGGRYGDSA-N 2 2 370.461 0.012 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)cn1 ZINC001070158912 1219246211 /nfs/dbraw/zinc/24/62/11/1219246211.db2.gz WWGOVIHNCKBWJS-IKGGRYGDSA-N 2 2 370.461 0.012 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070212953 1219296598 /nfs/dbraw/zinc/29/65/98/1219296598.db2.gz ZVPVYVQRGCOTGS-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070212953 1219296601 /nfs/dbraw/zinc/29/66/01/1219296601.db2.gz ZVPVYVQRGCOTGS-SRABZTEZSA-N 2 2 355.446 0.947 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070219959 1219302039 /nfs/dbraw/zinc/30/20/39/1219302039.db2.gz UBBXNADUKFKBFT-OIISXLGYSA-N 2 2 357.462 0.735 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220465 1219302541 /nfs/dbraw/zinc/30/25/41/1219302541.db2.gz HGXKVYATXBVWRY-XHSDSOJGSA-N 2 2 355.446 0.489 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220495 1219302576 /nfs/dbraw/zinc/30/25/76/1219302576.db2.gz ILIOTDJKXHZPIB-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070221065 1219303726 /nfs/dbraw/zinc/30/37/26/1219303726.db2.gz VVNLUFOYIPQSCC-OAGGEKHMSA-N 2 2 357.462 0.735 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070246465 1219316725 /nfs/dbraw/zinc/31/67/25/1219316725.db2.gz ZISOGVKJQLRPDU-SJORKVTESA-N 2 2 367.413 0.111 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070258060 1219327050 /nfs/dbraw/zinc/32/70/50/1219327050.db2.gz CHAGXCMPOUAGFA-IKGGRYGDSA-N 2 2 362.478 0.283 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070258060 1219327055 /nfs/dbraw/zinc/32/70/55/1219327055.db2.gz CHAGXCMPOUAGFA-IKGGRYGDSA-N 2 2 362.478 0.283 20 0 FCADLP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284839 1219349976 /nfs/dbraw/zinc/34/99/76/1219349976.db2.gz XSOGNHPOZTUKDY-SJORKVTESA-N 2 2 366.429 0.489 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1n1ccnn1 ZINC001070287157 1219351069 /nfs/dbraw/zinc/35/10/69/1219351069.db2.gz QNBITDXPIKMYSR-CVEARBPZSA-N 2 2 362.478 0.285 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070303258 1219361714 /nfs/dbraw/zinc/36/17/14/1219361714.db2.gz STOVTOGFQNALHT-CABCVRRESA-N 2 2 359.434 0.012 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327870 1219378464 /nfs/dbraw/zinc/37/84/64/1219378464.db2.gz GRTDBKMDJZKROD-CVEARBPZSA-N 2 2 359.434 0.212 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)cn1 ZINC001070328275 1219379112 /nfs/dbraw/zinc/37/91/12/1219379112.db2.gz UPBYNCIHGCWDIT-SJORKVTESA-N 2 2 370.461 0.014 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001227848685 1225888185 /nfs/dbraw/zinc/88/81/85/1225888185.db2.gz TZQMTXFQKMXCHO-BRWVUGGUSA-N 2 2 360.462 0.548 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc3c[nH+]cn3c2)n[nH]1 ZINC001070354813 1219392358 /nfs/dbraw/zinc/39/23/58/1219392358.db2.gz WSUALVOFDSBXFG-GJZGRUSLSA-N 2 2 369.429 0.864 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953195 1225891607 /nfs/dbraw/zinc/89/16/07/1225891607.db2.gz DDIKOKMSVNKEHF-BFYDXBDKSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953195 1225891610 /nfs/dbraw/zinc/89/16/10/1225891610.db2.gz DDIKOKMSVNKEHF-BFYDXBDKSA-N 2 2 368.522 0.447 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]C[C@H]2CCOC2)c1 ZINC001070541306 1219459840 /nfs/dbraw/zinc/45/98/40/1219459840.db2.gz VCULCAGFNNUUMH-UKPHBRMFSA-N 2 2 358.446 0.306 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2cnn(C)c2)c1 ZINC001070541033 1219460078 /nfs/dbraw/zinc/46/00/78/1219460078.db2.gz NHOSOVVGHLHFNI-DOTOQJQBSA-N 2 2 368.445 0.204 20 0 FCADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070570371 1219474143 /nfs/dbraw/zinc/47/41/43/1219474143.db2.gz LOZAUURESYPNAL-DOTOQJQBSA-N 2 2 369.429 0.697 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cncn1C ZINC001070659732 1219512290 /nfs/dbraw/zinc/51/22/90/1219512290.db2.gz ZQOSXFULEQUYKE-SUYBPPKGSA-N 2 2 368.441 0.875 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001070723736 1219543304 /nfs/dbraw/zinc/54/33/04/1219543304.db2.gz NHNDVAIIUHLWER-IAGOWNOFSA-N 2 2 365.441 0.796 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911579 1219564106 /nfs/dbraw/zinc/56/41/06/1219564106.db2.gz FKVZIBNZVCNFDZ-KFWWJZLASA-N 2 2 361.446 0.858 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911579 1219564112 /nfs/dbraw/zinc/56/41/12/1219564112.db2.gz FKVZIBNZVCNFDZ-KFWWJZLASA-N 2 2 361.446 0.858 20 0 FCADLP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919309 1219574337 /nfs/dbraw/zinc/57/43/37/1219574337.db2.gz FIMUPPRNCPSHQL-XHSDSOJGSA-N 2 2 361.446 0.858 20 0 FCADLP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001070919309 1219574342 /nfs/dbraw/zinc/57/43/42/1219574342.db2.gz FIMUPPRNCPSHQL-XHSDSOJGSA-N 2 2 361.446 0.858 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001071100847 1219607179 /nfs/dbraw/zinc/60/71/79/1219607179.db2.gz DDRLROHVYINCQH-YJLNNSPDSA-N 2 2 364.490 0.719 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000725715542 1219616870 /nfs/dbraw/zinc/61/68/70/1219616870.db2.gz XSUFZFVGDVOHDI-UHFFFAOYSA-N 2 2 374.485 0.169 20 0 FCADLP CCc1nnc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1C ZINC001072752028 1219622189 /nfs/dbraw/zinc/62/21/89/1219622189.db2.gz QGXHUMDYJJBECL-HUUCEWRRSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)n1C ZINC001072752028 1219622190 /nfs/dbraw/zinc/62/21/90/1219622190.db2.gz QGXHUMDYJJBECL-HUUCEWRRSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)n1C ZINC001072752028 1219622192 /nfs/dbraw/zinc/62/21/92/1219622192.db2.gz QGXHUMDYJJBECL-HUUCEWRRSA-N 2 2 360.506 0.752 20 0 FCADLP CCc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)n1C ZINC001072752028 1219622194 /nfs/dbraw/zinc/62/21/94/1219622194.db2.gz QGXHUMDYJJBECL-HUUCEWRRSA-N 2 2 360.506 0.752 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001098230476 1219745379 /nfs/dbraw/zinc/74/53/79/1219745379.db2.gz HQMCMJOWDDCHBX-IRWJRLHMSA-N 2 2 357.458 0.713 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001098230476 1219745383 /nfs/dbraw/zinc/74/53/83/1219745383.db2.gz HQMCMJOWDDCHBX-IRWJRLHMSA-N 2 2 357.458 0.713 20 0 FCADLP CC(C)(C)n1nnc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)n1 ZINC001098492464 1219797208 /nfs/dbraw/zinc/79/72/08/1219797208.db2.gz RNRJSMSQJHUTQQ-KFWWJZLASA-N 2 2 372.477 0.589 20 0 FCADLP CC(C)(C)n1nnc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)n1 ZINC001098492464 1219797211 /nfs/dbraw/zinc/79/72/11/1219797211.db2.gz RNRJSMSQJHUTQQ-KFWWJZLASA-N 2 2 372.477 0.589 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544314 1219804785 /nfs/dbraw/zinc/80/47/85/1219804785.db2.gz CVVQMGYOZUIABT-ZACQAIPSSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544314 1219804787 /nfs/dbraw/zinc/80/47/87/1219804787.db2.gz CVVQMGYOZUIABT-ZACQAIPSSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544307 1219804828 /nfs/dbraw/zinc/80/48/28/1219804828.db2.gz CVVQMGYOZUIABT-BRWVUGGUSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544307 1219804830 /nfs/dbraw/zinc/80/48/30/1219804830.db2.gz CVVQMGYOZUIABT-BRWVUGGUSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544312 1219804976 /nfs/dbraw/zinc/80/49/76/1219804976.db2.gz CVVQMGYOZUIABT-IXDOHACOSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCC2(CC1)OCCO2 ZINC000749544312 1219804978 /nfs/dbraw/zinc/80/49/78/1219804978.db2.gz CVVQMGYOZUIABT-IXDOHACOSA-N 2 2 367.490 0.535 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458690 1219815481 /nfs/dbraw/zinc/81/54/81/1219815481.db2.gz FXYKMWGJLWEJMO-KFWWJZLASA-N 2 2 365.478 0.040 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111458690 1219815485 /nfs/dbraw/zinc/81/54/85/1219815485.db2.gz FXYKMWGJLWEJMO-KFWWJZLASA-N 2 2 365.478 0.040 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001098910625 1219860026 /nfs/dbraw/zinc/86/00/26/1219860026.db2.gz KYPQZFQMKNCPMY-VCBZYWHSSA-N 2 2 359.474 0.504 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001098910625 1219860029 /nfs/dbraw/zinc/86/00/29/1219860029.db2.gz KYPQZFQMKNCPMY-VCBZYWHSSA-N 2 2 359.474 0.504 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098913548 1219860640 /nfs/dbraw/zinc/86/06/40/1219860640.db2.gz DOHAOEFKJUIDSN-QITLCBANSA-N 2 2 363.462 0.584 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098913548 1219860642 /nfs/dbraw/zinc/86/06/42/1219860642.db2.gz DOHAOEFKJUIDSN-QITLCBANSA-N 2 2 363.462 0.584 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028185 1219892480 /nfs/dbraw/zinc/89/24/80/1219892480.db2.gz VBJQNNHCNZYRHC-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028185 1219892482 /nfs/dbraw/zinc/89/24/82/1219892482.db2.gz VBJQNNHCNZYRHC-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028185 1219892484 /nfs/dbraw/zinc/89/24/84/1219892484.db2.gz VBJQNNHCNZYRHC-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028185 1219892489 /nfs/dbraw/zinc/89/24/89/1219892489.db2.gz VBJQNNHCNZYRHC-DEYYWGMASA-N 2 2 362.478 0.063 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001111465494 1219899558 /nfs/dbraw/zinc/89/95/58/1219899558.db2.gz XYKFBKDOBIPZCK-VQHPVUNQSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001111465494 1219899559 /nfs/dbraw/zinc/89/95/59/1219899559.db2.gz XYKFBKDOBIPZCK-VQHPVUNQSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001111465494 1219899560 /nfs/dbraw/zinc/89/95/60/1219899560.db2.gz XYKFBKDOBIPZCK-VQHPVUNQSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001111465494 1219899565 /nfs/dbraw/zinc/89/95/65/1219899565.db2.gz XYKFBKDOBIPZCK-VQHPVUNQSA-N 2 2 366.506 0.343 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCCC1)C2 ZINC001099138138 1219925856 /nfs/dbraw/zinc/92/58/56/1219925856.db2.gz TWAQIFUNRJBQEN-KXBFYZLASA-N 2 2 359.474 0.854 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCCC1)C2 ZINC001099138138 1219925860 /nfs/dbraw/zinc/92/58/60/1219925860.db2.gz TWAQIFUNRJBQEN-KXBFYZLASA-N 2 2 359.474 0.854 20 0 FCADLP CN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)CCc2[nH]cc[nH+]2)C3)C1=O ZINC001099426429 1219990472 /nfs/dbraw/zinc/99/04/72/1219990472.db2.gz VSDUXLJXWIFCGD-DOXZYTNZSA-N 2 2 359.474 0.791 20 0 FCADLP CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)C1=O ZINC001099506652 1220017887 /nfs/dbraw/zinc/01/78/87/1220017887.db2.gz SGVFEGMKYRBZRE-GMBSWORKSA-N 2 2 359.474 0.791 20 0 FCADLP CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)C1=O ZINC001099521212 1220021564 /nfs/dbraw/zinc/02/15/64/1220021564.db2.gz ZWJRLCASQBPURL-KHYOSLBOSA-N 2 2 359.474 0.791 20 0 FCADLP CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)C1=O ZINC001099519800 1220021889 /nfs/dbraw/zinc/02/18/89/1220021889.db2.gz JSXUTWDCJOVDCF-KHYOSLBOSA-N 2 2 359.474 0.791 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(C)nn2)C1 ZINC001099531563 1220024586 /nfs/dbraw/zinc/02/45/86/1220024586.db2.gz JQFXLLQHNYOYRO-KSSFIOAISA-N 2 2 357.462 0.808 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099532399 1220025503 /nfs/dbraw/zinc/02/55/03/1220025503.db2.gz VFILMUVAAHDKMF-KSSFIOAISA-N 2 2 357.462 0.808 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001099541212 1220028031 /nfs/dbraw/zinc/02/80/31/1220028031.db2.gz NVRKPZITPADDLS-BXWFABGCSA-N 2 2 369.473 0.880 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)c1nnnn1C ZINC001099540870 1220028437 /nfs/dbraw/zinc/02/84/37/1220028437.db2.gz GQRCQTDWFXJVTK-ZQIUZPCESA-N 2 2 358.450 0.386 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCC[NH+]2CCC2)CC1 ZINC000752649725 1220079440 /nfs/dbraw/zinc/07/94/40/1220079440.db2.gz DCKTWZFPKYCYAG-UHFFFAOYSA-N 2 2 369.510 0.934 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101341277 1220294379 /nfs/dbraw/zinc/29/43/79/1220294379.db2.gz GEMYPNURFHLXLV-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101341277 1220294382 /nfs/dbraw/zinc/29/43/82/1220294382.db2.gz GEMYPNURFHLXLV-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)n1 ZINC001101342622 1220295736 /nfs/dbraw/zinc/29/57/36/1220295736.db2.gz DVOKNEVFVBVQBK-QAPCUYQASA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@]3(C)C2)n1 ZINC001101342622 1220295739 /nfs/dbraw/zinc/29/57/39/1220295739.db2.gz DVOKNEVFVBVQBK-QAPCUYQASA-N 2 2 360.506 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101397974 1220323484 /nfs/dbraw/zinc/32/34/84/1220323484.db2.gz QGTDIGKUOUDBSZ-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101397974 1220323489 /nfs/dbraw/zinc/32/34/89/1220323489.db2.gz QGTDIGKUOUDBSZ-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CC[N@H+](C)[C@@H](C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428554 1220338246 /nfs/dbraw/zinc/33/82/46/1220338246.db2.gz GKRLVWRXRWMOMP-POAQFYNOSA-N 2 2 358.486 0.945 20 0 FCADLP CC[N@@H+](C)[C@@H](C(=O)N1C[C@H]2C[NH+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428554 1220338247 /nfs/dbraw/zinc/33/82/47/1220338247.db2.gz GKRLVWRXRWMOMP-POAQFYNOSA-N 2 2 358.486 0.945 20 0 FCADLP CC[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428554 1220338253 /nfs/dbraw/zinc/33/82/53/1220338253.db2.gz GKRLVWRXRWMOMP-POAQFYNOSA-N 2 2 358.486 0.945 20 0 FCADLP CC[NH+](C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(N)=O)C[C@@]2(C)C1)c1ccccc1 ZINC001101428554 1220338255 /nfs/dbraw/zinc/33/82/55/1220338255.db2.gz GKRLVWRXRWMOMP-POAQFYNOSA-N 2 2 358.486 0.945 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)n1cc[nH+]c1 ZINC001228852006 1225957666 /nfs/dbraw/zinc/95/76/66/1225957666.db2.gz FLQQGPAAYXBULA-BZUAXINKSA-N 2 2 362.478 0.876 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101438575 1220345437 /nfs/dbraw/zinc/34/54/37/1220345437.db2.gz HECFIRJYPXYOFJ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2C[NH+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101438575 1220345443 /nfs/dbraw/zinc/34/54/43/1220345443.db2.gz HECFIRJYPXYOFJ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101438575 1220345448 /nfs/dbraw/zinc/34/54/48/1220345448.db2.gz HECFIRJYPXYOFJ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101438575 1220345450 /nfs/dbraw/zinc/34/54/50/1220345450.db2.gz HECFIRJYPXYOFJ-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444465 1220347534 /nfs/dbraw/zinc/34/75/34/1220347534.db2.gz BMXHYCHIXOQREW-BEFAXECRSA-N 2 2 361.490 0.909 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC001101444465 1220347537 /nfs/dbraw/zinc/34/75/37/1220347537.db2.gz BMXHYCHIXOQREW-BEFAXECRSA-N 2 2 361.490 0.909 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927521 1220435571 /nfs/dbraw/zinc/43/55/71/1220435571.db2.gz IXSDORYMCYNTCS-BZUAXINKSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101927521 1220435576 /nfs/dbraw/zinc/43/55/76/1220435576.db2.gz IXSDORYMCYNTCS-BZUAXINKSA-N 2 2 368.478 0.050 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986824 1220453448 /nfs/dbraw/zinc/45/34/48/1220453448.db2.gz NCASPWGCXJQZPP-HZPDHXFCSA-N 2 2 364.490 0.455 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001101986824 1220453451 /nfs/dbraw/zinc/45/34/51/1220453451.db2.gz NCASPWGCXJQZPP-HZPDHXFCSA-N 2 2 364.490 0.455 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030868 1220469806 /nfs/dbraw/zinc/46/98/06/1220469806.db2.gz HVFORQKFLDQXFR-BFYDXBDKSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030868 1220469809 /nfs/dbraw/zinc/46/98/09/1220469809.db2.gz HVFORQKFLDQXFR-BFYDXBDKSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030868 1220469813 /nfs/dbraw/zinc/46/98/13/1220469813.db2.gz HVFORQKFLDQXFR-BFYDXBDKSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030868 1220469816 /nfs/dbraw/zinc/46/98/16/1220469816.db2.gz HVFORQKFLDQXFR-BFYDXBDKSA-N 2 2 368.478 0.050 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104335 1220498093 /nfs/dbraw/zinc/49/80/93/1220498093.db2.gz PQFWKDIPRGOWHR-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102104335 1220498098 /nfs/dbraw/zinc/49/80/98/1220498098.db2.gz PQFWKDIPRGOWHR-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157562 1220527851 /nfs/dbraw/zinc/52/78/51/1220527851.db2.gz KGFQKBNYRISYQT-HUUCEWRRSA-N 2 2 361.490 0.582 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157562 1220527855 /nfs/dbraw/zinc/52/78/55/1220527855.db2.gz KGFQKBNYRISYQT-HUUCEWRRSA-N 2 2 361.490 0.582 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102155730 1220528028 /nfs/dbraw/zinc/52/80/28/1220528028.db2.gz CRQDFBADDTVRTE-TZMCWYRMSA-N 2 2 358.450 0.397 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C ZINC001102155730 1220528034 /nfs/dbraw/zinc/52/80/34/1220528034.db2.gz CRQDFBADDTVRTE-TZMCWYRMSA-N 2 2 358.450 0.397 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205251 1220548841 /nfs/dbraw/zinc/54/88/41/1220548841.db2.gz SHKITEOOSABLPQ-BZUAXINKSA-N 2 2 357.462 0.736 20 0 FCADLP 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Cc1ccnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033735 1221001669 /nfs/dbraw/zinc/00/16/69/1221001669.db2.gz FTWMHMJPVHBTLL-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001104033735 1221001674 /nfs/dbraw/zinc/00/16/74/1221001674.db2.gz FTWMHMJPVHBTLL-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104205918 1221021495 /nfs/dbraw/zinc/02/14/95/1221021495.db2.gz IMHSKPFVWKYPNU-QBPKDAKJSA-N 2 2 373.501 0.713 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658634 1221055310 /nfs/dbraw/zinc/05/53/10/1221055310.db2.gz IMGYGQOTGRIFNW-ZWOKBUDYSA-N 2 2 362.518 0.920 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658634 1221055314 /nfs/dbraw/zinc/05/53/14/1221055314.db2.gz IMGYGQOTGRIFNW-ZWOKBUDYSA-N 2 2 362.518 0.920 20 0 FCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658634 1221055319 /nfs/dbraw/zinc/05/53/19/1221055319.db2.gz IMGYGQOTGRIFNW-ZWOKBUDYSA-N 2 2 362.518 0.920 20 0 FCADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658634 1221055322 /nfs/dbraw/zinc/05/53/22/1221055322.db2.gz IMGYGQOTGRIFNW-ZWOKBUDYSA-N 2 2 362.518 0.920 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111731967 1221080051 /nfs/dbraw/zinc/08/00/51/1221080051.db2.gz VCCLVMAARBZDJU-JCGVRSQUSA-N 2 2 359.430 0.118 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111731967 1221080054 /nfs/dbraw/zinc/08/00/54/1221080054.db2.gz VCCLVMAARBZDJU-JCGVRSQUSA-N 2 2 359.430 0.118 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826473 1221128079 /nfs/dbraw/zinc/12/80/79/1221128079.db2.gz KILQEAJYBOYQDD-DOXZYTNZSA-N 2 2 359.474 0.911 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826473 1221128080 /nfs/dbraw/zinc/12/80/80/1221128080.db2.gz KILQEAJYBOYQDD-DOXZYTNZSA-N 2 2 359.474 0.911 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCF)C2 ZINC001111861401 1221140723 /nfs/dbraw/zinc/14/07/23/1221140723.db2.gz LHQJCUZNVNAHMR-ZVZYQTTQSA-N 2 2 365.453 0.787 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCF)C2 ZINC001111861401 1221140725 /nfs/dbraw/zinc/14/07/25/1221140725.db2.gz LHQJCUZNVNAHMR-ZVZYQTTQSA-N 2 2 365.453 0.787 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCF)C2 ZINC001111861401 1221140728 /nfs/dbraw/zinc/14/07/28/1221140728.db2.gz LHQJCUZNVNAHMR-ZVZYQTTQSA-N 2 2 365.453 0.787 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCF)C2 ZINC001111861401 1221140730 /nfs/dbraw/zinc/14/07/30/1221140730.db2.gz LHQJCUZNVNAHMR-ZVZYQTTQSA-N 2 2 365.453 0.787 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937977 1221178971 /nfs/dbraw/zinc/17/89/71/1221178971.db2.gz FOGMDNJWXWZEQE-YJBOKZPZSA-N 2 2 364.494 0.347 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937977 1221178972 /nfs/dbraw/zinc/17/89/72/1221178972.db2.gz FOGMDNJWXWZEQE-YJBOKZPZSA-N 2 2 364.494 0.347 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111938115 1221179134 /nfs/dbraw/zinc/17/91/34/1221179134.db2.gz LVGDERFKCKVXLF-YJBOKZPZSA-N 2 2 364.494 0.347 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111938115 1221179136 /nfs/dbraw/zinc/17/91/36/1221179136.db2.gz LVGDERFKCKVXLF-YJBOKZPZSA-N 2 2 364.494 0.347 20 0 FCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001111939579 1221179754 /nfs/dbraw/zinc/17/97/54/1221179754.db2.gz IIIVGZYDHUQXHI-XUWXXGDYSA-N 2 2 364.494 0.723 20 0 FCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)[nH]1 ZINC001111939579 1221179756 /nfs/dbraw/zinc/17/97/56/1221179756.db2.gz IIIVGZYDHUQXHI-XUWXXGDYSA-N 2 2 364.494 0.723 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNC(=O)C1CC1)C2 ZINC001111938302 1221179818 /nfs/dbraw/zinc/17/98/18/1221179818.db2.gz VKRCMGVBRRQGQL-KXBFYZLASA-N 2 2 359.474 0.460 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCNC(=O)C1CC1)C2 ZINC001111938302 1221179820 /nfs/dbraw/zinc/17/98/20/1221179820.db2.gz VKRCMGVBRRQGQL-KXBFYZLASA-N 2 2 359.474 0.460 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180349 1221305333 /nfs/dbraw/zinc/30/53/33/1221305333.db2.gz GNIFNDWFHBIACR-XHSDSOJGSA-N 2 2 373.457 0.549 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180349 1221305336 /nfs/dbraw/zinc/30/53/36/1221305336.db2.gz GNIFNDWFHBIACR-XHSDSOJGSA-N 2 2 373.457 0.549 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001116056321 1221333357 /nfs/dbraw/zinc/33/33/57/1221333357.db2.gz VRNXWGNRRLEVJR-KRWDZBQOSA-N 2 2 359.518 0.691 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001116056322 1221333442 /nfs/dbraw/zinc/33/34/42/1221333442.db2.gz VRNXWGNRRLEVJR-QGZVFWFLSA-N 2 2 359.518 0.691 20 0 FCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001116662942 1221377559 /nfs/dbraw/zinc/37/75/59/1221377559.db2.gz SSDPGDQYWWMZFX-RBUKOAKNSA-N 2 2 371.522 0.193 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001116712273 1221382742 /nfs/dbraw/zinc/38/27/42/1221382742.db2.gz XIGATNUONASPPG-ZDUSSCGKSA-N 2 2 360.462 0.262 20 0 FCADLP CCc1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001116712273 1221382745 /nfs/dbraw/zinc/38/27/45/1221382745.db2.gz XIGATNUONASPPG-ZDUSSCGKSA-N 2 2 360.462 0.262 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001229939735 1226040944 /nfs/dbraw/zinc/04/09/44/1226040944.db2.gz LPLXOSBGGSBECU-CHWSQXEVSA-N 2 2 360.418 0.904 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3cccc(O)c3)CC2)CC1 ZINC001117107323 1221467571 /nfs/dbraw/zinc/46/75/71/1221467571.db2.gz DHMQZYUAJBYIAA-UHFFFAOYSA-N 2 2 374.485 0.683 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC001117629577 1221594367 /nfs/dbraw/zinc/59/43/67/1221594367.db2.gz MIOPXDRLKZJIJZ-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC001117629577 1221594378 /nfs/dbraw/zinc/59/43/78/1221594378.db2.gz MIOPXDRLKZJIJZ-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858448 1221633558 /nfs/dbraw/zinc/63/35/58/1221633558.db2.gz MGFBCGVZTALPFI-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858448 1221633567 /nfs/dbraw/zinc/63/35/67/1221633567.db2.gz MGFBCGVZTALPFI-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001117971734 1221670841 /nfs/dbraw/zinc/67/08/41/1221670841.db2.gz DJVVJAQDAZRRGN-KRWDZBQOSA-N 2 2 355.442 0.806 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CCN(c3cccc[nH+]3)CC1)CC[NH2+]CC2 ZINC001118147562 1221719620 /nfs/dbraw/zinc/71/96/20/1221719620.db2.gz HLUHGOKTFZUNDW-INIZCTEOSA-N 2 2 371.485 0.721 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)nc1=O ZINC001230344462 1226075403 /nfs/dbraw/zinc/07/54/03/1226075403.db2.gz VSUSXEYWLPDVQX-ZIAGYGMSSA-N 2 2 361.450 0.302 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)no1 ZINC001230348023 1226075563 /nfs/dbraw/zinc/07/55/63/1226075563.db2.gz QRLUWPBEFHDFHJ-ZIAGYGMSSA-N 2 2 360.418 0.835 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1)[NH+]1CCCC1 ZINC001230286639 1226072142 /nfs/dbraw/zinc/07/21/42/1226072142.db2.gz PQXDARKJCOPDKM-INMHGKMJSA-N 2 2 363.510 0.848 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119145396 1221877697 /nfs/dbraw/zinc/87/76/97/1221877697.db2.gz VJCAOIFHTAKMLZ-FUHWJXTLSA-N 2 2 368.522 0.897 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119145396 1221877699 /nfs/dbraw/zinc/87/76/99/1221877699.db2.gz VJCAOIFHTAKMLZ-FUHWJXTLSA-N 2 2 368.522 0.897 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001120496421 1222095100 /nfs/dbraw/zinc/09/51/00/1222095100.db2.gz AFAXJLVTLCXSLV-INIZCTEOSA-N 2 2 374.489 0.501 20 0 FCADLP COC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791714 1222212299 /nfs/dbraw/zinc/21/22/99/1222212299.db2.gz WRNQRMQLHXUJTF-ZIUALTHQSA-N 2 2 362.474 0.548 20 0 FCADLP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001121928315 1222225327 /nfs/dbraw/zinc/22/53/27/1222225327.db2.gz MPVSZAKTELRDKD-YWZLYKJASA-N 2 2 360.502 0.795 20 0 FCADLP C[C@H]1Cn2nc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cc2C[NH2+]1 ZINC001121998293 1222231309 /nfs/dbraw/zinc/23/13/09/1222231309.db2.gz VTFFEMHVEVMCQS-ZDUSSCGKSA-N 2 2 359.434 0.156 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CCOC)CC1 ZINC001122429174 1222273682 /nfs/dbraw/zinc/27/36/82/1222273682.db2.gz WFQYDNKKHICCCP-INIZCTEOSA-N 2 2 366.510 0.850 20 0 FCADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CCOC)CC1 ZINC001122429174 1222273688 /nfs/dbraw/zinc/27/36/88/1222273688.db2.gz WFQYDNKKHICCCP-INIZCTEOSA-N 2 2 366.510 0.850 20 0 FCADLP C[C@H](CC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920744 1222485762 /nfs/dbraw/zinc/48/57/62/1222485762.db2.gz DAOOTJOAVAGZAE-SUJAAXHWSA-N 2 2 366.462 0.626 20 0 FCADLP C[C@H](CC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920744 1222485766 /nfs/dbraw/zinc/48/57/66/1222485766.db2.gz DAOOTJOAVAGZAE-SUJAAXHWSA-N 2 2 366.462 0.626 20 0 FCADLP C[C@H](CC[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920744 1222485770 /nfs/dbraw/zinc/48/57/70/1222485770.db2.gz DAOOTJOAVAGZAE-SUJAAXHWSA-N 2 2 366.462 0.626 20 0 FCADLP C[C@H](CC[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830920744 1222485777 /nfs/dbraw/zinc/48/57/77/1222485777.db2.gz DAOOTJOAVAGZAE-SUJAAXHWSA-N 2 2 366.462 0.626 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C[C@H]21 ZINC001138543308 1222515050 /nfs/dbraw/zinc/51/50/50/1222515050.db2.gz RMNNCVIJQWEGRR-MOPGFXCFSA-N 2 2 369.469 0.812 20 0 FCADLP CNC(=O)CN1CCO[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C[C@H]21 ZINC001138543308 1222515055 /nfs/dbraw/zinc/51/50/55/1222515055.db2.gz RMNNCVIJQWEGRR-MOPGFXCFSA-N 2 2 369.469 0.812 20 0 FCADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766673 1222587843 /nfs/dbraw/zinc/58/78/43/1222587843.db2.gz WMQULWJHTCBIHV-DEYYWGMASA-N 2 2 371.478 0.584 20 0 FCADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766673 1222587844 /nfs/dbraw/zinc/58/78/44/1222587844.db2.gz WMQULWJHTCBIHV-DEYYWGMASA-N 2 2 371.478 0.584 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817179 1222591701 /nfs/dbraw/zinc/59/17/01/1222591701.db2.gz KLWOOUSLDQNGCI-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817179 1222591706 /nfs/dbraw/zinc/59/17/06/1222591706.db2.gz KLWOOUSLDQNGCI-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000834817179 1222591710 /nfs/dbraw/zinc/59/17/10/1222591710.db2.gz KLWOOUSLDQNGCI-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000834817179 1222591715 /nfs/dbraw/zinc/59/17/15/1222591715.db2.gz KLWOOUSLDQNGCI-JONQDZQNSA-N 2 2 366.506 0.295 20 0 FCADLP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1CN1CCn2c[nH+]cc2C1 ZINC000840076095 1222769505 /nfs/dbraw/zinc/76/95/05/1222769505.db2.gz NWOFRPPTNBNNNS-HDICACEKSA-N 2 2 365.437 0.773 20 0 FCADLP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1CN1CCn2c[nH+]cc2C1 ZINC000840076095 1222769515 /nfs/dbraw/zinc/76/95/15/1222769515.db2.gz NWOFRPPTNBNNNS-HDICACEKSA-N 2 2 365.437 0.773 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000842058852 1222834125 /nfs/dbraw/zinc/83/41/25/1222834125.db2.gz ZBPFSTZJBGOFAI-IBGZPJMESA-N 2 2 353.426 0.701 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C[NH3+] ZINC000842058787 1222834250 /nfs/dbraw/zinc/83/42/50/1222834250.db2.gz XWPPLYHEADVMMF-GDBMZVCRSA-N 2 2 355.442 0.932 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000842198593 1222840168 /nfs/dbraw/zinc/84/01/68/1222840168.db2.gz ADSBYHIJTQRNJJ-UHFFFAOYSA-N 2 2 355.442 0.817 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@]4(F)CC[NH2+]C4)n3)cn2)CC1 ZINC000843207344 1222860879 /nfs/dbraw/zinc/86/08/79/1222860879.db2.gz YURFYZBJWOWUTI-QGZVFWFLSA-N 2 2 360.393 0.677 20 0 FCADLP CCOC(=O)C1=C(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@@H]1C ZINC000843388828 1222874940 /nfs/dbraw/zinc/87/49/40/1222874940.db2.gz YOHDXKBWYPXESC-CHWSQXEVSA-N 2 2 366.462 0.192 20 0 FCADLP CCOC(=O)C1=C(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@@H]1C ZINC000843388828 1222874942 /nfs/dbraw/zinc/87/49/42/1222874942.db2.gz YOHDXKBWYPXESC-CHWSQXEVSA-N 2 2 366.462 0.192 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734257 1222888873 /nfs/dbraw/zinc/88/88/73/1222888873.db2.gz VQZLCTYZFJCPOR-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734257 1222888877 /nfs/dbraw/zinc/88/88/77/1222888877.db2.gz VQZLCTYZFJCPOR-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734257 1222888879 /nfs/dbraw/zinc/88/88/79/1222888879.db2.gz VQZLCTYZFJCPOR-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP CCCCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734257 1222888882 /nfs/dbraw/zinc/88/88/82/1222888882.db2.gz VQZLCTYZFJCPOR-IXDOHACOSA-N 2 2 368.522 0.450 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ccc(Cn4cncn4)c[nH+]3)C[C@H]1C2 ZINC001154640416 1223014302 /nfs/dbraw/zinc/01/43/02/1223014302.db2.gz OTOKNQOJIBBSTK-OLMMMNRUSA-N 2 2 368.441 0.556 20 0 FCADLP CCc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001155378361 1223033676 /nfs/dbraw/zinc/03/36/76/1223033676.db2.gz YBSHDVULCXLLDD-QGZVFWFLSA-N 3 2 360.506 0.735 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081928 1223067051 /nfs/dbraw/zinc/06/70/51/1223067051.db2.gz FXQFKAZVZSINDU-YEWWUXTCSA-N 2 2 364.446 0.549 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157081928 1223067053 /nfs/dbraw/zinc/06/70/53/1223067053.db2.gz FXQFKAZVZSINDU-YEWWUXTCSA-N 2 2 364.446 0.549 20 0 FCADLP Nc1[nH]c2cc(C(=O)N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)ccc2[nH+]1 ZINC001157404275 1223076165 /nfs/dbraw/zinc/07/61/65/1223076165.db2.gz OJUPGHAQNJAIJT-AWEZNQCLSA-N 2 2 358.446 0.995 20 0 FCADLP COc1cc2c(cc1OC)[C@@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001157423265 1223076984 /nfs/dbraw/zinc/07/69/84/1223076984.db2.gz QDZJBRLAEWXMES-CJNGLKHVSA-N 2 2 362.474 0.210 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001157999742 1223086369 /nfs/dbraw/zinc/08/63/69/1223086369.db2.gz SXYKXCFYWYLVQA-WBVHZDCISA-N 2 2 373.453 0.432 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001157999737 1223086580 /nfs/dbraw/zinc/08/65/80/1223086580.db2.gz SXYKXCFYWYLVQA-NVXWUHKLSA-N 2 2 373.453 0.432 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1cn(C)c2ccccc12 ZINC001158000249 1223086785 /nfs/dbraw/zinc/08/67/85/1223086785.db2.gz XALBNBVFJYOYKG-DOTOQJQBSA-N 2 2 358.442 0.412 20 0 FCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(CN4C(=O)CCC4=O)cn3)CC2)C1 ZINC001158261627 1223092363 /nfs/dbraw/zinc/09/23/63/1223092363.db2.gz NWYXDIKSKGUPCR-HNNXBMFYSA-N 2 2 357.458 0.732 20 0 FCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(CN4C(=O)CCC4=O)cn3)CC2)C1 ZINC001158261627 1223092367 /nfs/dbraw/zinc/09/23/67/1223092367.db2.gz NWYXDIKSKGUPCR-HNNXBMFYSA-N 2 2 357.458 0.732 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734485 1223106035 /nfs/dbraw/zinc/10/60/35/1223106035.db2.gz ABNNHGVAHYGTIF-QAETUUGQSA-N 2 2 357.414 0.512 20 0 FCADLP c1cc(N2CCOCC2)nnc1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158781611 1223108925 /nfs/dbraw/zinc/10/89/25/1223108925.db2.gz VTURSCIMVRVATK-UHFFFAOYSA-N 2 2 355.446 0.730 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821599 1223110497 /nfs/dbraw/zinc/11/04/97/1223110497.db2.gz NNFRVNATCCUJGN-AWEZNQCLSA-N 2 2 374.445 0.294 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935542 1223113439 /nfs/dbraw/zinc/11/34/39/1223113439.db2.gz VQVPLXSSKMBGMA-BZUAXINKSA-N 2 2 354.414 0.077 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159031591 1223115580 /nfs/dbraw/zinc/11/55/80/1223115580.db2.gz ZCMLVDLJRAHTEJ-INIZCTEOSA-N 2 2 365.430 0.363 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159031591 1223115582 /nfs/dbraw/zinc/11/55/82/1223115582.db2.gz ZCMLVDLJRAHTEJ-INIZCTEOSA-N 2 2 365.430 0.363 20 0 FCADLP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159192471 1223120009 /nfs/dbraw/zinc/12/00/09/1223120009.db2.gz SVGRJKCSNZYEKZ-DOTOQJQBSA-N 3 2 359.474 0.077 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210484 1223120709 /nfs/dbraw/zinc/12/07/09/1223120709.db2.gz RBBAJEHBYWBEOO-YLFCFFPRSA-N 2 2 357.414 0.117 20 0 FCADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159282761 1223122694 /nfs/dbraw/zinc/12/26/94/1223122694.db2.gz IBYBCKZNXPFATO-QRTARXTBSA-N 2 2 357.414 0.038 20 0 FCADLP [NH3+]CCC[NH2+]CC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159284681 1223123268 /nfs/dbraw/zinc/12/32/68/1223123268.db2.gz ZKLMWFBIROZBPP-OAHLLOKOSA-N 3 2 358.446 0.254 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)C1 ZINC001159311279 1223124178 /nfs/dbraw/zinc/12/41/78/1223124178.db2.gz SQWOLUUOGOGGSW-PBHICJAKSA-N 2 2 355.417 0.899 20 0 FCADLP [NH3+]C1CCN(c2ccc(Nc3cnc(N4CC[NH2+]CC4)nc3)c[nH+]2)CC1 ZINC001159321870 1223124463 /nfs/dbraw/zinc/12/44/63/1223124463.db2.gz UUOOAMXLQKXJLL-UHFFFAOYSA-N 3 2 354.462 0.952 20 0 FCADLP Cc1noc([C@]23COC[C@H]2CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C3)n1 ZINC001159470735 1223127926 /nfs/dbraw/zinc/12/79/26/1223127926.db2.gz AGLOLCRFFQDPQB-IIDMSEBBSA-N 2 2 357.414 0.377 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159695758 1223133892 /nfs/dbraw/zinc/13/38/92/1223133892.db2.gz GCCOCBDRDYNRFE-QSPRXWTASA-N 2 2 371.441 0.760 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159697187 1223134127 /nfs/dbraw/zinc/13/41/27/1223134127.db2.gz HMSLKHJJKSIFBQ-GQLSEVEHSA-N 2 2 372.469 0.416 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)C1 ZINC001159866298 1223138902 /nfs/dbraw/zinc/13/89/02/1223138902.db2.gz AZCYGFLFNXUAKF-UOEHWVTCSA-N 2 2 360.433 0.938 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905365 1223139443 /nfs/dbraw/zinc/13/94/43/1223139443.db2.gz MZVSCIBQCQQSNV-RYRKJORJSA-N 2 2 357.414 0.514 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@@H]12 ZINC001159989894 1223141844 /nfs/dbraw/zinc/14/18/44/1223141844.db2.gz DUSBFQTVIIKJRN-GNBUJSLZSA-N 2 2 356.470 0.467 20 0 FCADLP Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001160031885 1223142853 /nfs/dbraw/zinc/14/28/53/1223142853.db2.gz LQYKPMQSWWBZRH-UGUYLWEFSA-N 2 2 351.454 0.874 20 0 FCADLP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160054036 1223143498 /nfs/dbraw/zinc/14/34/98/1223143498.db2.gz WNFWVCLKQLWBPF-RXVVDRJESA-N 3 2 369.513 0.848 20 0 FCADLP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160054036 1223143502 /nfs/dbraw/zinc/14/35/02/1223143502.db2.gz WNFWVCLKQLWBPF-RXVVDRJESA-N 3 2 369.513 0.848 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127952 1223146662 /nfs/dbraw/zinc/14/66/62/1223146662.db2.gz GMGURWZABTYSQY-ZDRJDWQYSA-N 3 2 370.457 0.475 20 0 FCADLP O=C(N1CCc2onc(COc3ccccn3)c2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160179973 1223148712 /nfs/dbraw/zinc/14/87/12/1223148712.db2.gz PVWHFQFFJVALJU-YJYMSZOUSA-N 2 2 369.425 0.485 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160191807 1223149005 /nfs/dbraw/zinc/14/90/05/1223149005.db2.gz OTELCICABMHFRM-ZJOBFFGXSA-N 2 2 359.474 0.443 20 0 FCADLP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)CCO2 ZINC001160192309 1223149204 /nfs/dbraw/zinc/14/92/04/1223149204.db2.gz UUXVLCRSLDCIEU-PKOBYXMFSA-N 2 2 360.458 0.499 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001160382204 1223156540 /nfs/dbraw/zinc/15/65/40/1223156540.db2.gz KQEJVMPEGPUGCA-ZDUSSCGKSA-N 2 2 366.466 0.131 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001160382204 1223156543 /nfs/dbraw/zinc/15/65/43/1223156543.db2.gz KQEJVMPEGPUGCA-ZDUSSCGKSA-N 2 2 366.466 0.131 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001160421615 1223159074 /nfs/dbraw/zinc/15/90/74/1223159074.db2.gz CEIKVMPNZMYLRZ-HAYURNKSSA-N 3 2 357.502 0.830 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001160421615 1223159078 /nfs/dbraw/zinc/15/90/78/1223159078.db2.gz CEIKVMPNZMYLRZ-HAYURNKSSA-N 3 2 357.502 0.830 20 0 FCADLP O=C(N1CCC2(CC1)C(=O)Nc1c2cccc1F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160422151 1223159140 /nfs/dbraw/zinc/15/91/40/1223159140.db2.gz VGAXXVUYEIMASY-BUXKBTBVSA-N 2 2 358.417 0.590 20 0 FCADLP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160443322 1223159580 /nfs/dbraw/zinc/15/95/80/1223159580.db2.gz GEAZRCNWXXQWQB-MGPUTAFESA-N 2 2 354.454 0.518 20 0 FCADLP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001160539601 1223164289 /nfs/dbraw/zinc/16/42/89/1223164289.db2.gz XZNXPYVGLWIPPV-GJZGRUSLSA-N 2 2 369.425 0.888 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC001160568554 1223164423 /nfs/dbraw/zinc/16/44/23/1223164423.db2.gz DJQAAEMDHXOAKI-KRWDZBQOSA-N 2 2 361.442 0.496 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC2)cc1 ZINC001160568902 1223164756 /nfs/dbraw/zinc/16/47/56/1223164756.db2.gz JRWXKQXJPGUPFG-GOSISDBHSA-N 3 2 374.485 0.444 20 0 FCADLP COC(=O)c1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC2)cc1 ZINC001160569031 1223165221 /nfs/dbraw/zinc/16/52/21/1223165221.db2.gz MXRLYCPHDWLPKF-OKZBNKHCSA-N 2 2 372.469 0.067 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001160700169 1223169057 /nfs/dbraw/zinc/16/90/57/1223169057.db2.gz KSXCFVRXYHHQIY-HNNXBMFYSA-N 2 2 374.445 0.785 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]1C2 ZINC001160790463 1223172470 /nfs/dbraw/zinc/17/24/70/1223172470.db2.gz POMNNCWQSNVWEV-JRWXATFMSA-N 2 2 358.442 0.303 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(-c3ccco3)o2)O1 ZINC001160857730 1223177879 /nfs/dbraw/zinc/17/78/79/1223177879.db2.gz NXACPKQQMQDQPL-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nnc(-c3ccco3)o2)O1 ZINC001160857730 1223177881 /nfs/dbraw/zinc/17/78/81/1223177881.db2.gz NXACPKQQMQDQPL-TZMCWYRMSA-N 2 2 363.418 0.645 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160878876 1223179015 /nfs/dbraw/zinc/17/90/15/1223179015.db2.gz MIYMSCBWWJVBJC-AWEZNQCLSA-N 2 2 355.398 0.373 20 0 FCADLP CN(C(=O)CN1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001160894313 1223179552 /nfs/dbraw/zinc/17/95/52/1223179552.db2.gz JNTGFXCTIJFINS-KRWDZBQOSA-N 2 2 370.457 0.087 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c1 ZINC001160944084 1223181470 /nfs/dbraw/zinc/18/14/70/1223181470.db2.gz WDBNUAWFNYKRMX-GOSISDBHSA-N 2 2 373.457 0.654 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C1 ZINC001161136995 1223186167 /nfs/dbraw/zinc/18/61/67/1223186167.db2.gz AVHOYBVXUPJTIZ-FCEWJHQRSA-N 2 2 361.442 0.427 20 0 FCADLP CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)cc1 ZINC001161096442 1223186527 /nfs/dbraw/zinc/18/65/27/1223186527.db2.gz FUSHMHXMUOTTJU-IRXDYDNUSA-N 2 2 374.485 0.837 20 0 FCADLP CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001161097632 1223186606 /nfs/dbraw/zinc/18/66/06/1223186606.db2.gz KJZUJNCLBGOCKL-WBVHZDCISA-N 2 2 374.485 0.980 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001161252819 1223191729 /nfs/dbraw/zinc/19/17/29/1223191729.db2.gz DSOZOJYTOISZTR-IAGOWNOFSA-N 2 2 371.485 0.894 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001161252819 1223191731 /nfs/dbraw/zinc/19/17/31/1223191731.db2.gz DSOZOJYTOISZTR-IAGOWNOFSA-N 2 2 371.485 0.894 20 0 FCADLP O=C(NC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1)c1cccc(F)c1 ZINC001161252769 1223192411 /nfs/dbraw/zinc/19/24/11/1223192411.db2.gz NOEZXDVNHUVMLW-LIRRHRJNSA-N 2 2 360.433 0.498 20 0 FCADLP O=C(NC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1)c1cccc(F)c1 ZINC001161253506 1223193194 /nfs/dbraw/zinc/19/31/94/1223193194.db2.gz WPOKKTYIWNNSCU-RRQGHBQHSA-N 2 2 360.433 0.496 20 0 FCADLP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C2CC[NH2+]CC2)n1 ZINC001161309405 1223194791 /nfs/dbraw/zinc/19/47/91/1223194791.db2.gz PKHDPCFMTQPEMA-HNNXBMFYSA-N 3 2 373.461 0.182 20 0 FCADLP CN(C(=O)c1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001161328627 1223195744 /nfs/dbraw/zinc/19/57/44/1223195744.db2.gz DKAYRWVFJOYCLM-RYQLBKOJSA-N 2 2 356.470 0.700 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379920 1223198085 /nfs/dbraw/zinc/19/80/85/1223198085.db2.gz RWBVBTIJDXLOEL-APWZRJJASA-N 4 2 363.550 0.474 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379920 1223198091 /nfs/dbraw/zinc/19/80/91/1223198091.db2.gz RWBVBTIJDXLOEL-APWZRJJASA-N 4 2 363.550 0.474 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3O[C@H]3CC[NH2+]C3)C2)CC1 ZINC001161381887 1223198139 /nfs/dbraw/zinc/19/81/39/1223198139.db2.gz QQUZROOFRVBPRV-CVEARBPZSA-N 3 2 359.474 0.460 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC001161459584 1223200129 /nfs/dbraw/zinc/20/01/29/1223200129.db2.gz QCORIXQXWBVDFO-RDJZCZTQSA-N 2 2 352.442 0.481 20 0 FCADLP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)C1)[C@H]1CCOC1 ZINC001161500767 1223202593 /nfs/dbraw/zinc/20/25/93/1223202593.db2.gz ZZBVSFRPTGYRJV-RDJZCZTQSA-N 2 2 361.442 0.379 20 0 FCADLP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)C1)[C@H]1CCOC1 ZINC001161500767 1223202600 /nfs/dbraw/zinc/20/26/00/1223202600.db2.gz ZZBVSFRPTGYRJV-RDJZCZTQSA-N 2 2 361.442 0.379 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191638 1223211375 /nfs/dbraw/zinc/21/13/75/1223211375.db2.gz WHPRZEIDYJVNMK-INIZCTEOSA-N 2 2 360.506 0.859 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191638 1223211377 /nfs/dbraw/zinc/21/13/77/1223211377.db2.gz WHPRZEIDYJVNMK-INIZCTEOSA-N 2 2 360.506 0.859 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ncc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163027192 1223224330 /nfs/dbraw/zinc/22/43/30/1223224330.db2.gz JLMKCQATXGYYPF-UHFFFAOYSA-N 2 2 373.461 0.490 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc[nH+]1 ZINC001164627677 1223240721 /nfs/dbraw/zinc/24/07/21/1223240721.db2.gz VACWPKWVUYJNMX-DLBZAZTESA-N 2 2 366.469 0.952 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1nnnn1C1CC1 ZINC001166960960 1223290324 /nfs/dbraw/zinc/29/03/24/1223290324.db2.gz LMILMYTYIVKPQW-IACUBPJLSA-N 2 2 358.450 0.702 20 0 FCADLP COCCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001205514010 1223329706 /nfs/dbraw/zinc/32/97/06/1223329706.db2.gz XEQCTIVYZZZFCV-JKSUJKDBSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(=O)N(C)C ZINC001206319230 1223355359 /nfs/dbraw/zinc/35/53/59/1223355359.db2.gz AQWKOXZGDNMZHC-NUEKZKHPSA-N 2 2 361.490 0.829 20 0 FCADLP CC(C)OCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206620667 1223363452 /nfs/dbraw/zinc/36/34/52/1223363452.db2.gz XCECGFWKJOGOHG-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)OCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206620667 1223363458 /nfs/dbraw/zinc/36/34/58/1223363458.db2.gz XCECGFWKJOGOHG-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206620667 1223363462 /nfs/dbraw/zinc/36/34/62/1223363462.db2.gz XCECGFWKJOGOHG-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)OCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206620667 1223363466 /nfs/dbraw/zinc/36/34/66/1223363466.db2.gz XCECGFWKJOGOHG-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1[nH+]cc(CN2Cc3nccn3C[C@@H](C[NH+]3CCN(C)CC3)C2)n1C ZINC001206793966 1223371123 /nfs/dbraw/zinc/37/11/23/1223371123.db2.gz SQKUUPIZQPWIJK-KRWDZBQOSA-N 2 2 357.506 0.804 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014965 1223405511 /nfs/dbraw/zinc/40/55/11/1223405511.db2.gz QBSVAYLXSPMEDF-NVXWUHKLSA-N 2 2 364.490 0.861 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014965 1223405513 /nfs/dbraw/zinc/40/55/13/1223405513.db2.gz QBSVAYLXSPMEDF-NVXWUHKLSA-N 2 2 364.490 0.861 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cccc(=O)[nH]3)CC2)C1=O ZINC001207069113 1223411503 /nfs/dbraw/zinc/41/15/03/1223411503.db2.gz TWGKVJYCNUCXSP-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cccc(=O)[nH]3)CC2)C1=O ZINC001207069113 1223411507 /nfs/dbraw/zinc/41/15/07/1223411507.db2.gz TWGKVJYCNUCXSP-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567897 1223457556 /nfs/dbraw/zinc/45/75/56/1223457556.db2.gz FREQDEOMFRQWBO-RHSMWYFYSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567897 1223457559 /nfs/dbraw/zinc/45/75/59/1223457559.db2.gz FREQDEOMFRQWBO-RHSMWYFYSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567897 1223457561 /nfs/dbraw/zinc/45/75/61/1223457561.db2.gz FREQDEOMFRQWBO-RHSMWYFYSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567897 1223457563 /nfs/dbraw/zinc/45/75/63/1223457563.db2.gz FREQDEOMFRQWBO-RHSMWYFYSA-N 2 2 362.474 0.817 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001207757569 1223475969 /nfs/dbraw/zinc/47/59/69/1223475969.db2.gz GILYYHZOQFVZOD-TZMCWYRMSA-N 2 2 367.494 0.141 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001207757569 1223475972 /nfs/dbraw/zinc/47/59/72/1223475972.db2.gz GILYYHZOQFVZOD-TZMCWYRMSA-N 2 2 367.494 0.141 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001207757569 1223475974 /nfs/dbraw/zinc/47/59/74/1223475974.db2.gz GILYYHZOQFVZOD-TZMCWYRMSA-N 2 2 367.494 0.141 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC001207757569 1223475977 /nfs/dbraw/zinc/47/59/77/1223475977.db2.gz GILYYHZOQFVZOD-TZMCWYRMSA-N 2 2 367.494 0.141 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207967336 1223500869 /nfs/dbraw/zinc/50/08/69/1223500869.db2.gz YLZDIYJUIHLUFV-RHSMWYFYSA-N 2 2 370.457 0.796 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207967336 1223500874 /nfs/dbraw/zinc/50/08/74/1223500874.db2.gz YLZDIYJUIHLUFV-RHSMWYFYSA-N 2 2 370.457 0.796 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425588 1223543651 /nfs/dbraw/zinc/54/36/51/1223543651.db2.gz OYVDAFBUFBFUOK-BZUAXINKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425588 1223543654 /nfs/dbraw/zinc/54/36/54/1223543654.db2.gz OYVDAFBUFBFUOK-BZUAXINKSA-N 2 2 366.506 0.060 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616131 1223563799 /nfs/dbraw/zinc/56/37/99/1223563799.db2.gz XUAQTPNJEKPTAY-VDHUWJSZSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616131 1223563803 /nfs/dbraw/zinc/56/38/03/1223563803.db2.gz XUAQTPNJEKPTAY-VDHUWJSZSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616131 1223563807 /nfs/dbraw/zinc/56/38/07/1223563807.db2.gz XUAQTPNJEKPTAY-VDHUWJSZSA-N 2 2 361.490 0.724 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](C)C3)[C@@H]3CCCO[C@H]23)cn1 ZINC001208616131 1223563813 /nfs/dbraw/zinc/56/38/13/1223563813.db2.gz XUAQTPNJEKPTAY-VDHUWJSZSA-N 2 2 361.490 0.724 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209149723 1223600993 /nfs/dbraw/zinc/60/09/93/1223600993.db2.gz CWJBJEJJSRMEHM-CHWSQXEVSA-N 2 2 364.450 0.028 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001209149723 1223600997 /nfs/dbraw/zinc/60/09/97/1223600997.db2.gz CWJBJEJJSRMEHM-CHWSQXEVSA-N 2 2 364.450 0.028 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CCN(CC[NH+]3CCCCC3)C2)OCC1=O ZINC001276639936 1223617288 /nfs/dbraw/zinc/61/72/88/1223617288.db2.gz UHZPNTNCMYPYTI-LJQANCHMSA-N 2 2 361.490 0.709 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506925 1223626115 /nfs/dbraw/zinc/62/61/15/1223626115.db2.gz WFIBUPDPMJSAGW-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506925 1223626116 /nfs/dbraw/zinc/62/61/16/1223626116.db2.gz WFIBUPDPMJSAGW-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514241 1223626489 /nfs/dbraw/zinc/62/64/89/1223626489.db2.gz JDAOVHVLLFGMNB-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209514241 1223626491 /nfs/dbraw/zinc/62/64/91/1223626491.db2.gz JDAOVHVLLFGMNB-BRWVUGGUSA-N 2 2 368.522 0.306 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209514401 1223627328 /nfs/dbraw/zinc/62/73/28/1223627328.db2.gz KBYYVHJZQJYCAJ-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209514401 1223627331 /nfs/dbraw/zinc/62/73/31/1223627331.db2.gz KBYYVHJZQJYCAJ-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001209634879 1223635740 /nfs/dbraw/zinc/63/57/40/1223635740.db2.gz KJGSPLNYZAUITM-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC001209634879 1223635743 /nfs/dbraw/zinc/63/57/43/1223635743.db2.gz KJGSPLNYZAUITM-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(Cc1c[nH+]ccc1N)CC2 ZINC001209724976 1223643610 /nfs/dbraw/zinc/64/36/10/1223643610.db2.gz FMOLXKZLCHNWHS-UHFFFAOYSA-N 2 2 369.473 0.174 20 0 FCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001209729814 1223644803 /nfs/dbraw/zinc/64/48/03/1223644803.db2.gz BYZZLWGFCVUWOF-UHFFFAOYSA-N 2 2 368.441 0.791 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209732558 1223645620 /nfs/dbraw/zinc/64/56/20/1223645620.db2.gz VFGXQDSXRRIDOJ-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209732558 1223645622 /nfs/dbraw/zinc/64/56/22/1223645622.db2.gz VFGXQDSXRRIDOJ-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)nn1C ZINC001209837383 1223652939 /nfs/dbraw/zinc/65/29/39/1223652939.db2.gz XLSJHNBVQPYJBP-RDTXWAMCSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)nn1C ZINC001209837383 1223652942 /nfs/dbraw/zinc/65/29/42/1223652942.db2.gz XLSJHNBVQPYJBP-RDTXWAMCSA-N 2 2 363.506 0.776 20 0 FCADLP c1nn(CC[NH+]2CCOCC2)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262871 1223679778 /nfs/dbraw/zinc/67/97/78/1223679778.db2.gz NLMZGBBGLDWVFN-UHFFFAOYSA-N 3 2 357.462 0.764 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322759 1223683170 /nfs/dbraw/zinc/68/31/70/1223683170.db2.gz XLUYBXDODKDUQK-CRAIPNDOSA-N 2 2 363.506 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322759 1223683172 /nfs/dbraw/zinc/68/31/72/1223683172.db2.gz XLUYBXDODKDUQK-CRAIPNDOSA-N 2 2 363.506 0.734 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CC[NH+](CC(=O)N3CCCC3)CC2)C1=O ZINC001276684431 1223691681 /nfs/dbraw/zinc/69/16/81/1223691681.db2.gz YXMPCWJENYRCHK-UHFFFAOYSA-N 2 2 359.474 0.857 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717144 1223705143 /nfs/dbraw/zinc/70/51/43/1223705143.db2.gz ATZVOTFAIFTFTP-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717144 1223705145 /nfs/dbraw/zinc/70/51/45/1223705145.db2.gz ATZVOTFAIFTFTP-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039712 1223720728 /nfs/dbraw/zinc/72/07/28/1223720728.db2.gz UDDVRTSIDKJZBP-HUUCEWRRSA-N 2 2 367.494 0.145 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039712 1223720731 /nfs/dbraw/zinc/72/07/31/1223720731.db2.gz UDDVRTSIDKJZBP-HUUCEWRRSA-N 2 2 367.494 0.145 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)nn1C ZINC001211055125 1223722570 /nfs/dbraw/zinc/72/25/70/1223722570.db2.gz ZFMYPXPZQGUXCM-IIDMSEBBSA-N 2 2 363.506 0.633 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)nn1C ZINC001211055125 1223722574 /nfs/dbraw/zinc/72/25/74/1223722574.db2.gz ZFMYPXPZQGUXCM-IIDMSEBBSA-N 2 2 363.506 0.633 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444155 1223742365 /nfs/dbraw/zinc/74/23/65/1223742365.db2.gz QBUOISWGSWHMPA-HUUCEWRRSA-N 2 2 364.494 0.311 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001211444155 1223742369 /nfs/dbraw/zinc/74/23/69/1223742369.db2.gz QBUOISWGSWHMPA-HUUCEWRRSA-N 2 2 364.494 0.311 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329052 1223785769 /nfs/dbraw/zinc/78/57/69/1223785769.db2.gz OTWHXDUHVCTIFV-KURKYZTESA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001213329052 1223785772 /nfs/dbraw/zinc/78/57/72/1223785772.db2.gz OTWHXDUHVCTIFV-KURKYZTESA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001213329052 1223785776 /nfs/dbraw/zinc/78/57/76/1223785776.db2.gz OTWHXDUHVCTIFV-KURKYZTESA-N 2 2 369.506 0.338 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001213329052 1223785778 /nfs/dbraw/zinc/78/57/78/1223785778.db2.gz OTWHXDUHVCTIFV-KURKYZTESA-N 2 2 369.506 0.338 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213336193 1223786958 /nfs/dbraw/zinc/78/69/58/1223786958.db2.gz SGNGNDBCQZDPMI-HZPDHXFCSA-N 2 2 369.462 0.433 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001213336193 1223786959 /nfs/dbraw/zinc/78/69/59/1223786959.db2.gz SGNGNDBCQZDPMI-HZPDHXFCSA-N 2 2 369.462 0.433 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342331 1223788964 /nfs/dbraw/zinc/78/89/64/1223788964.db2.gz ROPOVMYMVCDOQB-RBSFLKMASA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342331 1223788966 /nfs/dbraw/zinc/78/89/66/1223788966.db2.gz ROPOVMYMVCDOQB-RBSFLKMASA-N 2 2 368.522 0.447 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374388 1223791794 /nfs/dbraw/zinc/79/17/94/1223791794.db2.gz FASXRFVDGGVBSB-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374388 1223791796 /nfs/dbraw/zinc/79/17/96/1223791796.db2.gz FASXRFVDGGVBSB-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374361 1223791833 /nfs/dbraw/zinc/79/18/33/1223791833.db2.gz CRUWSWUSNUSXBS-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)CCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374361 1223791835 /nfs/dbraw/zinc/79/18/35/1223791835.db2.gz CRUWSWUSNUSXBS-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374708 1223791896 /nfs/dbraw/zinc/79/18/96/1223791896.db2.gz TULRIGWLMBHXKZ-BRWVUGGUSA-N 2 2 371.428 0.765 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374708 1223791897 /nfs/dbraw/zinc/79/18/97/1223791897.db2.gz TULRIGWLMBHXKZ-BRWVUGGUSA-N 2 2 371.428 0.765 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213399662 1223794268 /nfs/dbraw/zinc/79/42/68/1223794268.db2.gz FRVONKTXOYOOBB-JFIYKMOQSA-N 2 2 364.490 0.992 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)cn1 ZINC001213399662 1223794269 /nfs/dbraw/zinc/79/42/69/1223794269.db2.gz FRVONKTXOYOOBB-JFIYKMOQSA-N 2 2 364.490 0.992 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435206 1223798297 /nfs/dbraw/zinc/79/82/97/1223798297.db2.gz TWRSOEXUARJQCD-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1OC)[NH+](CC)CC ZINC001213435206 1223798299 /nfs/dbraw/zinc/79/82/99/1223798299.db2.gz TWRSOEXUARJQCD-IXDOHACOSA-N 2 2 368.522 0.543 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434620 1223798416 /nfs/dbraw/zinc/79/84/16/1223798416.db2.gz JBXMLDSXFBFOBT-IXDOHACOSA-N 2 2 370.538 0.789 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434620 1223798418 /nfs/dbraw/zinc/79/84/18/1223798418.db2.gz JBXMLDSXFBFOBT-IXDOHACOSA-N 2 2 370.538 0.789 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575918 1223816150 /nfs/dbraw/zinc/81/61/50/1223816150.db2.gz ANZAUJKYUJURKX-BZUAXINKSA-N 2 2 363.462 0.066 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213575918 1223816152 /nfs/dbraw/zinc/81/61/52/1223816152.db2.gz ANZAUJKYUJURKX-BZUAXINKSA-N 2 2 363.462 0.066 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213596818 1223820744 /nfs/dbraw/zinc/82/07/44/1223820744.db2.gz LTQRUARXJPVMEF-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001213596818 1223820746 /nfs/dbraw/zinc/82/07/46/1223820746.db2.gz LTQRUARXJPVMEF-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655338 1223828972 /nfs/dbraw/zinc/82/89/72/1223828972.db2.gz NVWNWYVMCILWGQ-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655338 1223828975 /nfs/dbraw/zinc/82/89/75/1223828975.db2.gz NVWNWYVMCILWGQ-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213747516 1223843107 /nfs/dbraw/zinc/84/31/07/1223843107.db2.gz LEEFLTFZGYIEKT-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213747516 1223843109 /nfs/dbraw/zinc/84/31/09/1223843109.db2.gz LEEFLTFZGYIEKT-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757547 1223845436 /nfs/dbraw/zinc/84/54/36/1223845436.db2.gz NHXROBIQBJRFAB-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757547 1223845437 /nfs/dbraw/zinc/84/54/37/1223845437.db2.gz NHXROBIQBJRFAB-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757547 1223845438 /nfs/dbraw/zinc/84/54/38/1223845438.db2.gz NHXROBIQBJRFAB-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001213757547 1223845439 /nfs/dbraw/zinc/84/54/39/1223845439.db2.gz NHXROBIQBJRFAB-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914430 1223871520 /nfs/dbraw/zinc/87/15/20/1223871520.db2.gz FUNNUTFNHHYWJN-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914430 1223871522 /nfs/dbraw/zinc/87/15/22/1223871522.db2.gz FUNNUTFNHHYWJN-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922063 1223872860 /nfs/dbraw/zinc/87/28/60/1223872860.db2.gz OXJMNZGCTGRFLJ-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213922063 1223872863 /nfs/dbraw/zinc/87/28/63/1223872863.db2.gz OXJMNZGCTGRFLJ-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921473 1223873134 /nfs/dbraw/zinc/87/31/34/1223873134.db2.gz ASJUHTJCJQULLH-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921473 1223873138 /nfs/dbraw/zinc/87/31/38/1223873138.db2.gz ASJUHTJCJQULLH-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930030 1223874759 /nfs/dbraw/zinc/87/47/59/1223874759.db2.gz WLHQWIXPLPJNNQ-USXIJHARSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930030 1223874762 /nfs/dbraw/zinc/87/47/62/1223874762.db2.gz WLHQWIXPLPJNNQ-USXIJHARSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930030 1223874765 /nfs/dbraw/zinc/87/47/65/1223874765.db2.gz WLHQWIXPLPJNNQ-USXIJHARSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930030 1223874767 /nfs/dbraw/zinc/87/47/67/1223874767.db2.gz WLHQWIXPLPJNNQ-USXIJHARSA-N 2 2 368.522 0.589 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCNC(=O)NC(C)(C)C ZINC001214530695 1223918808 /nfs/dbraw/zinc/91/88/08/1223918808.db2.gz DZERYNIONASPTM-ZIAGYGMSSA-N 2 2 364.494 0.877 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214987992 1223961771 /nfs/dbraw/zinc/96/17/71/1223961771.db2.gz DWWYKLBUYGKVDL-HLLBOEOZSA-N 2 2 361.490 0.749 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005632 1223963078 /nfs/dbraw/zinc/96/30/78/1223963078.db2.gz BVRHNBRTHXMNJO-OWCLPIDISA-N 2 2 361.490 0.749 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978175660 1248716151 /nfs/dbraw/zinc/71/61/51/1248716151.db2.gz FMRCWVKXVIBDGV-ZKXLYKBJSA-N 2 2 358.486 0.830 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978175660 1248716160 /nfs/dbraw/zinc/71/61/60/1248716160.db2.gz FMRCWVKXVIBDGV-ZKXLYKBJSA-N 2 2 358.486 0.830 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001215571519 1224006872 /nfs/dbraw/zinc/00/68/72/1224006872.db2.gz PLXOYFFPVAOPBY-NVXWUHKLSA-N 2 2 371.489 0.321 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001215571519 1224006876 /nfs/dbraw/zinc/00/68/76/1224006876.db2.gz PLXOYFFPVAOPBY-NVXWUHKLSA-N 2 2 371.489 0.321 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1)n1cc[nH+]c1 ZINC001215709609 1224012907 /nfs/dbraw/zinc/01/29/07/1224012907.db2.gz CMUDOLXJCZUQOI-MGPQQGTHSA-N 2 2 360.418 0.897 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705810 1224013150 /nfs/dbraw/zinc/01/31/50/1224013150.db2.gz RXPIAHVJLNVCEY-BZUAXINKSA-N 2 2 365.478 0.423 20 0 FCADLP CC(C)n1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978187095 1248719347 /nfs/dbraw/zinc/71/93/47/1248719347.db2.gz YIYWOBKRIQTLDT-FGTAOJJYSA-N 2 2 360.506 0.993 20 0 FCADLP CC(C)n1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978187095 1248719355 /nfs/dbraw/zinc/71/93/55/1248719355.db2.gz YIYWOBKRIQTLDT-FGTAOJJYSA-N 2 2 360.506 0.993 20 0 FCADLP CC(C)n1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978187095 1248719360 /nfs/dbraw/zinc/71/93/60/1248719360.db2.gz YIYWOBKRIQTLDT-FGTAOJJYSA-N 2 2 360.506 0.993 20 0 FCADLP CC(C)n1cc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@@H]3C2)nn1 ZINC000978187095 1248719368 /nfs/dbraw/zinc/71/93/68/1248719368.db2.gz YIYWOBKRIQTLDT-FGTAOJJYSA-N 2 2 360.506 0.993 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216061102 1224032152 /nfs/dbraw/zinc/03/21/52/1224032152.db2.gz AYBHYROIDLTBGJ-GDBMZVCRSA-N 2 2 355.442 0.705 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001216392533 1224048191 /nfs/dbraw/zinc/04/81/91/1224048191.db2.gz HKFHUHIFNGOWLU-CXAGYDPISA-N 2 2 371.441 0.743 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216402145 1224048494 /nfs/dbraw/zinc/04/84/94/1224048494.db2.gz VKUHDZKSEKKCON-HZSPNIEDSA-N 2 2 369.466 0.292 20 0 FCADLP CCCCc1noc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216402200 1224049065 /nfs/dbraw/zinc/04/90/65/1224049065.db2.gz XTCUCCWNPMNOFC-HUUCEWRRSA-N 2 2 367.494 0.927 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)on1 ZINC001216561231 1224055618 /nfs/dbraw/zinc/05/56/18/1224055618.db2.gz SLJLSDQFMAJYHZ-QMTHXVAHSA-N 2 2 360.418 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC001216630945 1224059314 /nfs/dbraw/zinc/05/93/14/1224059314.db2.gz VOISQRZYZWHLCE-GDBMZVCRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC001216626420 1224059338 /nfs/dbraw/zinc/05/93/38/1224059338.db2.gz DNLYUXAUDUHGPI-RHSMWYFYSA-N 2 2 361.490 0.848 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216858879 1224079593 /nfs/dbraw/zinc/07/95/93/1224079593.db2.gz CPMBXTLWYQQFBD-KBAYOESNSA-N 2 2 364.490 0.784 20 0 FCADLP Cc1cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)on1 ZINC001276749169 1224081401 /nfs/dbraw/zinc/08/14/01/1224081401.db2.gz GMOWMJCQNCCALK-GOSISDBHSA-N 2 2 359.430 0.931 20 0 FCADLP Cc1cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)on1 ZINC001276749169 1224081403 /nfs/dbraw/zinc/08/14/03/1224081403.db2.gz GMOWMJCQNCCALK-GOSISDBHSA-N 2 2 359.430 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001217011080 1224084567 /nfs/dbraw/zinc/08/45/67/1224084567.db2.gz 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/nfs/dbraw/zinc/58/07/53/1254580753.db2.gz QKXKFYDZYKJKAT-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001065704667 1254581078 /nfs/dbraw/zinc/58/10/78/1254581078.db2.gz PRBWENRQDCLAIB-FGTMMUONSA-N 2 2 362.518 0.729 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001077571326 1254709158 /nfs/dbraw/zinc/70/91/58/1254709158.db2.gz LIFKQPOHBWYKJH-ARLBYUKCSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001077571326 1254709168 /nfs/dbraw/zinc/70/91/68/1254709168.db2.gz LIFKQPOHBWYKJH-ARLBYUKCSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001077571326 1254709188 /nfs/dbraw/zinc/70/91/88/1254709188.db2.gz LIFKQPOHBWYKJH-ARLBYUKCSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001077571326 1254709200 /nfs/dbraw/zinc/70/92/00/1254709200.db2.gz LIFKQPOHBWYKJH-ARLBYUKCSA-N 2 2 364.490 0.937 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@H]1O)CC2 ZINC001077584016 1254735781 /nfs/dbraw/zinc/73/57/81/1254735781.db2.gz YKMWCXLEORREAD-BHIYHBOVSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@H]1O)CC2 ZINC001077584016 1254735796 /nfs/dbraw/zinc/73/57/96/1254735796.db2.gz YKMWCXLEORREAD-BHIYHBOVSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@H]1O)C2 ZINC001077682701 1254873303 /nfs/dbraw/zinc/87/33/03/1254873303.db2.gz GBEZLQHZQVHOHR-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@H]1O)C2 ZINC001077682701 1254873315 /nfs/dbraw/zinc/87/33/15/1254873315.db2.gz GBEZLQHZQVHOHR-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001077697948 1254898714 /nfs/dbraw/zinc/89/87/14/1254898714.db2.gz JTPSUPMFNVJMCL-IXYNUQLISA-N 2 2 374.445 0.009 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001077697948 1254898724 /nfs/dbraw/zinc/89/87/24/1254898724.db2.gz JTPSUPMFNVJMCL-IXYNUQLISA-N 2 2 374.445 0.009 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907099 1255087692 /nfs/dbraw/zinc/08/76/92/1255087692.db2.gz WIFSNDBTWDUIEC-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907099 1255087700 /nfs/dbraw/zinc/08/77/00/1255087700.db2.gz WIFSNDBTWDUIEC-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941475 1255114000 /nfs/dbraw/zinc/11/40/00/1255114000.db2.gz PZXXREVUYGVXKG-CGTJXYLNSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001077941475 1255114001 /nfs/dbraw/zinc/11/40/01/1255114001.db2.gz PZXXREVUYGVXKG-CGTJXYLNSA-N 2 2 371.441 0.611 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975471 1255139821 /nfs/dbraw/zinc/13/98/21/1255139821.db2.gz MZJDTFFNBKBKRC-QZTJIDSGSA-N 2 2 361.490 0.203 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001078006194 1255161293 /nfs/dbraw/zinc/16/12/93/1255161293.db2.gz VLFDHUONXOUVFF-USXIJHARSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001078006194 1255161301 /nfs/dbraw/zinc/16/13/01/1255161301.db2.gz VLFDHUONXOUVFF-USXIJHARSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001078006194 1255161307 /nfs/dbraw/zinc/16/13/07/1255161307.db2.gz VLFDHUONXOUVFF-USXIJHARSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001078006194 1255161312 /nfs/dbraw/zinc/16/13/12/1255161312.db2.gz VLFDHUONXOUVFF-USXIJHARSA-N 2 2 362.474 0.483 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001078005539 1255162567 /nfs/dbraw/zinc/16/25/67/1255162567.db2.gz DIQJXHMRTHRUII-ARFHVFGLSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001078005539 1255162574 /nfs/dbraw/zinc/16/25/74/1255162574.db2.gz DIQJXHMRTHRUII-ARFHVFGLSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001078005539 1255162585 /nfs/dbraw/zinc/16/25/85/1255162585.db2.gz DIQJXHMRTHRUII-ARFHVFGLSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001078005539 1255162589 /nfs/dbraw/zinc/16/25/89/1255162589.db2.gz DIQJXHMRTHRUII-ARFHVFGLSA-N 2 2 364.490 0.939 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001078008490 1255164589 /nfs/dbraw/zinc/16/45/89/1255164589.db2.gz HQRCBAPASROJMN-RTBURBONSA-N 2 2 365.437 0.872 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001078008490 1255164593 /nfs/dbraw/zinc/16/45/93/1255164593.db2.gz HQRCBAPASROJMN-RTBURBONSA-N 2 2 365.437 0.872 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)c1ccccc1 ZINC001078081226 1255213113 /nfs/dbraw/zinc/21/31/13/1255213113.db2.gz SLCXQSFSOYAQFN-KURKYZTESA-N 2 2 358.442 0.810 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)c1ccccc1 ZINC001078081226 1255213119 /nfs/dbraw/zinc/21/31/19/1255213119.db2.gz SLCXQSFSOYAQFN-KURKYZTESA-N 2 2 358.442 0.810 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1C ZINC001078182272 1255296322 /nfs/dbraw/zinc/29/63/22/1255296322.db2.gz NLYGQNRYKRAUTI-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1C ZINC001078182272 1255296324 /nfs/dbraw/zinc/29/63/24/1255296324.db2.gz NLYGQNRYKRAUTI-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001078183121 1255298410 /nfs/dbraw/zinc/29/84/10/1255298410.db2.gz AVUZIFFGOIRZEC-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001078183121 1255298412 /nfs/dbraw/zinc/29/84/12/1255298412.db2.gz AVUZIFFGOIRZEC-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229372 1255341779 /nfs/dbraw/zinc/34/17/79/1255341779.db2.gz FLTPYZFTRNHCOL-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229372 1255341789 /nfs/dbraw/zinc/34/17/89/1255341789.db2.gz FLTPYZFTRNHCOL-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229372 1255341797 /nfs/dbraw/zinc/34/17/97/1255341797.db2.gz FLTPYZFTRNHCOL-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229372 1255341807 /nfs/dbraw/zinc/34/18/07/1255341807.db2.gz FLTPYZFTRNHCOL-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP CO[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078271991 1255375656 /nfs/dbraw/zinc/37/56/56/1255375656.db2.gz BHUKIUDFZPXXRK-RCCFBDPRSA-N 2 2 358.442 0.302 20 0 FCADLP CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078271991 1255375666 /nfs/dbraw/zinc/37/56/66/1255375666.db2.gz BHUKIUDFZPXXRK-RCCFBDPRSA-N 2 2 358.442 0.302 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)on1 ZINC001078418220 1255409944 /nfs/dbraw/zinc/40/99/44/1255409944.db2.gz KDCALCBLVKFCCM-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)on1 ZINC001078418220 1255409948 /nfs/dbraw/zinc/40/99/48/1255409948.db2.gz KDCALCBLVKFCCM-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418549 1255410855 /nfs/dbraw/zinc/41/08/55/1255410855.db2.gz QIOYYRDUOBYVJN-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001078418549 1255410860 /nfs/dbraw/zinc/41/08/60/1255410860.db2.gz QIOYYRDUOBYVJN-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079246221 1255485878 /nfs/dbraw/zinc/48/58/78/1255485878.db2.gz WOWRPJPMTSEGAN-PNBKFKSVSA-N 2 2 360.458 0.445 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001079246221 1255485882 /nfs/dbraw/zinc/48/58/82/1255485882.db2.gz WOWRPJPMTSEGAN-PNBKFKSVSA-N 2 2 360.458 0.445 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079849753 1255632668 /nfs/dbraw/zinc/63/26/68/1255632668.db2.gz XWZJSJMUXOJXIS-QLFBSQMISA-N 2 2 364.494 0.308 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079849753 1255632677 /nfs/dbraw/zinc/63/26/77/1255632677.db2.gz XWZJSJMUXOJXIS-QLFBSQMISA-N 2 2 364.494 0.308 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079849753 1255632683 /nfs/dbraw/zinc/63/26/83/1255632683.db2.gz XWZJSJMUXOJXIS-QLFBSQMISA-N 2 2 364.494 0.308 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079849753 1255632690 /nfs/dbraw/zinc/63/26/90/1255632690.db2.gz XWZJSJMUXOJXIS-QLFBSQMISA-N 2 2 364.494 0.308 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951495 1255679439 /nfs/dbraw/zinc/67/94/39/1255679439.db2.gz QGMPQYDZKPSWBK-MUIFIZLQSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951495 1255679445 /nfs/dbraw/zinc/67/94/45/1255679445.db2.gz QGMPQYDZKPSWBK-MUIFIZLQSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951495 1255679449 /nfs/dbraw/zinc/67/94/49/1255679449.db2.gz QGMPQYDZKPSWBK-MUIFIZLQSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951495 1255679465 /nfs/dbraw/zinc/67/94/65/1255679465.db2.gz QGMPQYDZKPSWBK-MUIFIZLQSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962572 1255684257 /nfs/dbraw/zinc/68/42/57/1255684257.db2.gz QSLGEOXVLLWTTE-VCTAVGKDSA-N 2 2 355.398 0.418 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962572 1255684265 /nfs/dbraw/zinc/68/42/65/1255684265.db2.gz QSLGEOXVLLWTTE-VCTAVGKDSA-N 2 2 355.398 0.418 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010655 1255704520 /nfs/dbraw/zinc/70/45/20/1255704520.db2.gz HLSOLHPKJZGGMK-DAXOMENPSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010655 1255704527 /nfs/dbraw/zinc/70/45/27/1255704527.db2.gz HLSOLHPKJZGGMK-DAXOMENPSA-N 2 2 363.462 0.407 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010783 1255704844 /nfs/dbraw/zinc/70/48/44/1255704844.db2.gz LWIYSFCLAVTFRB-CXAGYDPISA-N 2 2 360.462 0.763 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080010783 1255704849 /nfs/dbraw/zinc/70/48/49/1255704849.db2.gz LWIYSFCLAVTFRB-CXAGYDPISA-N 2 2 360.462 0.763 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080107231 1255748461 /nfs/dbraw/zinc/74/84/61/1255748461.db2.gz VIRSZRZJVVWMGF-KBRIMQKVSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080107231 1255748467 /nfs/dbraw/zinc/74/84/67/1255748467.db2.gz VIRSZRZJVVWMGF-KBRIMQKVSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144613 1255760082 /nfs/dbraw/zinc/76/00/82/1255760082.db2.gz JGBHMSFBKJLPPU-IJEWVQPXSA-N 2 2 361.490 0.675 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144613 1255760085 /nfs/dbraw/zinc/76/00/85/1255760085.db2.gz JGBHMSFBKJLPPU-IJEWVQPXSA-N 2 2 361.490 0.675 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)n1 ZINC001080325241 1255843474 /nfs/dbraw/zinc/84/34/74/1255843474.db2.gz XMEAOIFKQBSMFL-NXHRZFHOSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)n1 ZINC001080325241 1255843479 /nfs/dbraw/zinc/84/34/79/1255843479.db2.gz XMEAOIFKQBSMFL-NXHRZFHOSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)n1 ZINC001080325241 1255843486 /nfs/dbraw/zinc/84/34/86/1255843486.db2.gz XMEAOIFKQBSMFL-NXHRZFHOSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)n1 ZINC001080325241 1255843492 /nfs/dbraw/zinc/84/34/92/1255843492.db2.gz XMEAOIFKQBSMFL-NXHRZFHOSA-N 2 2 363.506 0.949 20 0 FCADLP CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080384331 1255869846 /nfs/dbraw/zinc/86/98/46/1255869846.db2.gz UGSAYFRQNGXDOG-HZPDHXFCSA-N 2 2 361.490 0.925 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC3CC3)C[C@H]1C)C2 ZINC001080446145 1255890068 /nfs/dbraw/zinc/89/00/68/1255890068.db2.gz BSKPJAPUDUDMGJ-HACGYAERSA-N 2 2 359.474 0.469 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC3CC3)C[C@H]1C)C2 ZINC001080446145 1255890077 /nfs/dbraw/zinc/89/00/77/1255890077.db2.gz BSKPJAPUDUDMGJ-HACGYAERSA-N 2 2 359.474 0.469 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1=O ZINC001080783467 1256036347 /nfs/dbraw/zinc/03/63/47/1256036347.db2.gz SXMJBSVSDZNWLW-IIAWOOMASA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1=O ZINC001080783467 1256036360 /nfs/dbraw/zinc/03/63/60/1256036360.db2.gz SXMJBSVSDZNWLW-IIAWOOMASA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001080783467 1256036368 /nfs/dbraw/zinc/03/63/68/1256036368.db2.gz SXMJBSVSDZNWLW-IIAWOOMASA-N 2 2 363.458 0.927 20 0 FCADLP COc1coc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001080783467 1256036375 /nfs/dbraw/zinc/03/63/75/1256036375.db2.gz SXMJBSVSDZNWLW-IIAWOOMASA-N 2 2 363.458 0.927 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080979223 1256122572 /nfs/dbraw/zinc/12/25/72/1256122572.db2.gz HJVDHPRFSOJKOW-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080979223 1256122578 /nfs/dbraw/zinc/12/25/78/1256122578.db2.gz HJVDHPRFSOJKOW-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080979223 1256122586 /nfs/dbraw/zinc/12/25/86/1256122586.db2.gz HJVDHPRFSOJKOW-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080979223 1256122599 /nfs/dbraw/zinc/12/25/99/1256122599.db2.gz HJVDHPRFSOJKOW-FRFSOERESA-N 2 2 364.494 0.264 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1)C(N)=O ZINC001081189601 1256201914 /nfs/dbraw/zinc/20/19/14/1256201914.db2.gz ZFKDAAYEJSSYKN-YESZJQIVSA-N 2 2 355.442 0.800 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001081680643 1256331976 /nfs/dbraw/zinc/33/19/76/1256331976.db2.gz CSRIBUPMJVQBGW-QBPKDAKJSA-N 2 2 362.474 0.352 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001081680643 1256331980 /nfs/dbraw/zinc/33/19/80/1256331980.db2.gz CSRIBUPMJVQBGW-QBPKDAKJSA-N 2 2 362.474 0.352 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001081793016 1256373130 /nfs/dbraw/zinc/37/31/30/1256373130.db2.gz NZYJICVVIPGSQH-BZUAXINKSA-N 2 2 358.446 0.473 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001081793016 1256373137 /nfs/dbraw/zinc/37/31/37/1256373137.db2.gz NZYJICVVIPGSQH-BZUAXINKSA-N 2 2 358.446 0.473 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001081871079 1256422617 /nfs/dbraw/zinc/42/26/17/1256422617.db2.gz XGVSSCFUJKAQAE-BRWVUGGUSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001081871079 1256422619 /nfs/dbraw/zinc/42/26/19/1256422619.db2.gz XGVSSCFUJKAQAE-BRWVUGGUSA-N 2 2 362.474 0.688 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)cn1 ZINC001081949490 1256469159 /nfs/dbraw/zinc/46/91/59/1256469159.db2.gz RKEHYXRZGSFULK-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)cn1 ZINC001081949490 1256469162 /nfs/dbraw/zinc/46/91/62/1256469162.db2.gz RKEHYXRZGSFULK-HZPDHXFCSA-N 2 2 359.430 0.611 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977856 1256480116 /nfs/dbraw/zinc/48/01/16/1256480116.db2.gz ZQAWCFVIABAPET-ZJPYXAASSA-N 2 2 367.490 0.092 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001081977856 1256480118 /nfs/dbraw/zinc/48/01/18/1256480118.db2.gz ZQAWCFVIABAPET-ZJPYXAASSA-N 2 2 367.490 0.092 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)n1 ZINC001082092705 1256532142 /nfs/dbraw/zinc/53/21/42/1256532142.db2.gz LHKSZVIVJUNTNG-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)n1 ZINC001082092705 1256532144 /nfs/dbraw/zinc/53/21/44/1256532144.db2.gz LHKSZVIVJUNTNG-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368956 1256716233 /nfs/dbraw/zinc/71/62/33/1256716233.db2.gz SYTCKJYWEGUMEB-NUEKZKHPSA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368956 1256716237 /nfs/dbraw/zinc/71/62/37/1256716237.db2.gz SYTCKJYWEGUMEB-NUEKZKHPSA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368956 1256716241 /nfs/dbraw/zinc/71/62/41/1256716241.db2.gz SYTCKJYWEGUMEB-NUEKZKHPSA-N 2 2 363.462 0.061 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](OC)C2)c(C)n1 ZINC001082368956 1256716243 /nfs/dbraw/zinc/71/62/43/1256716243.db2.gz SYTCKJYWEGUMEB-NUEKZKHPSA-N 2 2 363.462 0.061 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384658 1256736965 /nfs/dbraw/zinc/73/69/65/1256736965.db2.gz GWYLNWXSAIXZAE-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384658 1256736973 /nfs/dbraw/zinc/73/69/73/1256736973.db2.gz GWYLNWXSAIXZAE-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384658 1256736980 /nfs/dbraw/zinc/73/69/80/1256736980.db2.gz GWYLNWXSAIXZAE-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1OC ZINC001082384658 1256736985 /nfs/dbraw/zinc/73/69/85/1256736985.db2.gz GWYLNWXSAIXZAE-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082492238 1256785588 /nfs/dbraw/zinc/78/55/88/1256785588.db2.gz LXCHZSRYTCXAOR-TZMCWYRMSA-N 2 2 357.462 0.985 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001082492059 1256785980 /nfs/dbraw/zinc/78/59/80/1256785980.db2.gz CYLCAZXHRPWCTQ-FVQBIDKESA-N 2 2 359.474 0.932 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082507191 1256793510 /nfs/dbraw/zinc/79/35/10/1256793510.db2.gz GULNCDUFKSDTGL-KFWWJZLASA-N 2 2 364.494 0.945 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082507191 1256793513 /nfs/dbraw/zinc/79/35/13/1256793513.db2.gz GULNCDUFKSDTGL-KFWWJZLASA-N 2 2 364.494 0.945 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+]CCn1cncn1 ZINC001082524788 1256807211 /nfs/dbraw/zinc/80/72/11/1256807211.db2.gz LKXSYOASDRZJHA-GDBMZVCRSA-N 2 2 357.462 0.490 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082572409 1256881190 /nfs/dbraw/zinc/88/11/90/1256881190.db2.gz AZWHZBXFLVDFBE-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082572409 1256881202 /nfs/dbraw/zinc/88/12/02/1256881202.db2.gz AZWHZBXFLVDFBE-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001082590512 1256903218 /nfs/dbraw/zinc/90/32/18/1256903218.db2.gz AEHFPZNMKHHZDH-FVQBIDKESA-N 2 2 370.457 0.848 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001082604285 1256914706 /nfs/dbraw/zinc/91/47/06/1256914706.db2.gz KIPNVINGZLTBDR-RPVQJOFSSA-N 2 2 371.489 0.791 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C)nn1 ZINC001082603814 1256915148 /nfs/dbraw/zinc/91/51/48/1256915148.db2.gz RJNJCBVHKUIJGZ-IJEWVQPXSA-N 2 2 370.457 0.881 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)[nH]1 ZINC001082608834 1256919087 /nfs/dbraw/zinc/91/90/87/1256919087.db2.gz BKDBETGPKKUUKH-JRPNMDOOSA-N 2 2 361.450 0.974 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001082664035 1256966873 /nfs/dbraw/zinc/96/68/73/1256966873.db2.gz SJRCGPSTCBIIDC-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001082664035 1256966877 /nfs/dbraw/zinc/96/68/77/1256966877.db2.gz SJRCGPSTCBIIDC-KBAYOESNSA-N 2 2 363.506 0.858 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)nn1 ZINC001082703339 1256994241 /nfs/dbraw/zinc/99/42/41/1256994241.db2.gz MNYUGOBKLBHGIH-OIISXLGYSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)nn1 ZINC001082703339 1256994245 /nfs/dbraw/zinc/99/42/45/1256994245.db2.gz MNYUGOBKLBHGIH-OIISXLGYSA-N 2 2 364.494 0.344 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)nc1 ZINC001082703437 1256994647 /nfs/dbraw/zinc/99/46/47/1256994647.db2.gz UEWYHBTXIKKMDH-BRWVUGGUSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)nc1 ZINC001082703437 1256994650 /nfs/dbraw/zinc/99/46/50/1256994650.db2.gz UEWYHBTXIKKMDH-BRWVUGGUSA-N 2 2 361.490 0.831 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)on1 ZINC001082703181 1256995177 /nfs/dbraw/zinc/99/51/77/1256995177.db2.gz BWAJOYNBLMEGKO-BMFZPTHFSA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)on1 ZINC001082703181 1256995181 /nfs/dbraw/zinc/99/51/81/1256995181.db2.gz BWAJOYNBLMEGKO-BMFZPTHFSA-N 2 2 366.462 0.729 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120020 1266087137 /nfs/dbraw/zinc/08/71/37/1266087137.db2.gz UAPJBNBPUUIPOC-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120020 1266087139 /nfs/dbraw/zinc/08/71/39/1266087139.db2.gz UAPJBNBPUUIPOC-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120020 1266087143 /nfs/dbraw/zinc/08/71/43/1266087143.db2.gz UAPJBNBPUUIPOC-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C[C@@H]1C ZINC001521120020 1266087151 /nfs/dbraw/zinc/08/71/51/1266087151.db2.gz UAPJBNBPUUIPOC-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082828747 1257085557 /nfs/dbraw/zinc/08/55/57/1257085557.db2.gz DJLYTPNMNITSOU-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082856329 1257106668 /nfs/dbraw/zinc/10/66/68/1257106668.db2.gz BZQMOWKYIGPZJB-XOKHGSTOSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082856368 1257106699 /nfs/dbraw/zinc/10/66/99/1257106699.db2.gz FHHUKNJXEPZJAE-IVMMDQJWSA-N 2 2 354.414 0.206 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082861100 1257111977 /nfs/dbraw/zinc/11/19/77/1257111977.db2.gz HKNAHBXQHYEKGE-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC001082861013 1257112616 /nfs/dbraw/zinc/11/26/16/1257112616.db2.gz AMYPJKWDQPPONW-CXAGYDPISA-N 2 2 355.442 0.698 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001082863547 1257113332 /nfs/dbraw/zinc/11/33/32/1257113332.db2.gz IMFVJZOFBJFFIE-MGPQQGTHSA-N 2 2 363.462 0.809 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001082893103 1257128485 /nfs/dbraw/zinc/12/84/85/1257128485.db2.gz MHGBQFKIVVHLQD-CZUORRHYSA-N 2 2 359.478 0.909 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C)nn1 ZINC001082923358 1257146926 /nfs/dbraw/zinc/14/69/26/1257146926.db2.gz GEIBEBFZVMVLCL-BFYDXBDKSA-N 2 2 364.494 0.203 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC001082922726 1257147257 /nfs/dbraw/zinc/14/72/57/1257147257.db2.gz YJTIMVLYWCASRY-MBNYWOFBSA-N 2 2 362.434 0.919 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923470 1257148060 /nfs/dbraw/zinc/14/80/60/1257148060.db2.gz LAKIIHOAEBRONT-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001082923539 1257148361 /nfs/dbraw/zinc/14/83/61/1257148361.db2.gz NZQLKEYCHHUOSX-HLLBOEOZSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082947032 1257162874 /nfs/dbraw/zinc/16/28/74/1257162874.db2.gz AKBKEKYAVLKXAY-QGPMSJSTSA-N 2 2 359.474 0.353 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC001082957948 1257168016 /nfs/dbraw/zinc/16/80/16/1257168016.db2.gz JPZXTBXJXYATRE-VMGRFDJRSA-N 2 2 359.405 0.685 20 0 FCADLP COc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)ccn1 ZINC001083086298 1257288193 /nfs/dbraw/zinc/28/81/93/1257288193.db2.gz KNDQBMVKKDRSII-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)ccn1 ZINC001083086298 1257288198 /nfs/dbraw/zinc/28/81/98/1257288198.db2.gz KNDQBMVKKDRSII-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)ccn1 ZINC001083086298 1257288202 /nfs/dbraw/zinc/28/82/02/1257288202.db2.gz KNDQBMVKKDRSII-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)ccn1 ZINC001083086298 1257288204 /nfs/dbraw/zinc/28/82/04/1257288204.db2.gz KNDQBMVKKDRSII-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC[C@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083110842 1257333409 /nfs/dbraw/zinc/33/34/09/1257333409.db2.gz XIPNICBYWDZTBI-FGTMMUONSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CC[C@H]4CCC[NH+]4C)[C@H]3C2)cn1 ZINC001083110842 1257333417 /nfs/dbraw/zinc/33/34/17/1257333417.db2.gz XIPNICBYWDZTBI-FGTMMUONSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3OCCN(C(=O)CC[C@H]4CCC[N@@H+]4C)[C@H]3C2)cn1 ZINC001083110842 1257333426 /nfs/dbraw/zinc/33/34/26/1257333426.db2.gz XIPNICBYWDZTBI-FGTMMUONSA-N 2 2 361.490 0.706 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3OCCN(C(=O)CC[C@H]4CCC[N@H+]4C)[C@H]3C2)cn1 ZINC001083110842 1257333435 /nfs/dbraw/zinc/33/34/35/1257333435.db2.gz XIPNICBYWDZTBI-FGTMMUONSA-N 2 2 361.490 0.706 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1)C1CCC1 ZINC001083157890 1257415673 /nfs/dbraw/zinc/41/56/73/1257415673.db2.gz VTVRFFISWOQBKN-OKZBNKHCSA-N 2 2 362.474 1.000 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1)C1CCC1 ZINC001083157890 1257415677 /nfs/dbraw/zinc/41/56/77/1257415677.db2.gz VTVRFFISWOQBKN-OKZBNKHCSA-N 2 2 362.474 1.000 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001083645241 1257463854 /nfs/dbraw/zinc/46/38/54/1257463854.db2.gz RDLYVOGSJSUAJY-SJORKVTESA-N 2 2 362.405 0.184 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001083645241 1257463857 /nfs/dbraw/zinc/46/38/57/1257463857.db2.gz RDLYVOGSJSUAJY-SJORKVTESA-N 2 2 362.405 0.184 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083645400 1257464125 /nfs/dbraw/zinc/46/41/25/1257464125.db2.gz ZAEZNKRPOPSNRW-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083645400 1257464128 /nfs/dbraw/zinc/46/41/28/1257464128.db2.gz ZAEZNKRPOPSNRW-MSOLQXFVSA-N 2 2 358.442 0.740 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777923 1257517854 /nfs/dbraw/zinc/51/78/54/1257517854.db2.gz SZQBAFYMCMGSKR-QWQRMKEZSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777923 1257517858 /nfs/dbraw/zinc/51/78/58/1257517858.db2.gz SZQBAFYMCMGSKR-QWQRMKEZSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777923 1257517860 /nfs/dbraw/zinc/51/78/60/1257517860.db2.gz SZQBAFYMCMGSKR-QWQRMKEZSA-N 2 2 368.453 0.857 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777923 1257517862 /nfs/dbraw/zinc/51/78/62/1257517862.db2.gz SZQBAFYMCMGSKR-QWQRMKEZSA-N 2 2 368.453 0.857 20 0 FCADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1)OC ZINC001083783101 1257530500 /nfs/dbraw/zinc/53/05/00/1257530500.db2.gz ZZWXSJUGLISSJK-XYPHTWIQSA-N 2 2 366.462 0.470 20 0 FCADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1)OC ZINC001083783101 1257530505 /nfs/dbraw/zinc/53/05/05/1257530505.db2.gz ZZWXSJUGLISSJK-XYPHTWIQSA-N 2 2 366.462 0.470 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083789489 1257539967 /nfs/dbraw/zinc/53/99/67/1257539967.db2.gz DVDFPGIGJSLQER-KONPQCLYSA-N 2 2 362.474 0.502 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083789489 1257539971 /nfs/dbraw/zinc/53/99/71/1257539971.db2.gz DVDFPGIGJSLQER-KONPQCLYSA-N 2 2 362.474 0.502 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1F ZINC001083957514 1257747362 /nfs/dbraw/zinc/74/73/62/1257747362.db2.gz BSMBCSCKBULWHM-CVEARBPZSA-N 2 2 363.433 0.591 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1F ZINC001083957514 1257747369 /nfs/dbraw/zinc/74/73/69/1257747369.db2.gz BSMBCSCKBULWHM-CVEARBPZSA-N 2 2 363.433 0.591 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961182 1257751699 /nfs/dbraw/zinc/75/16/99/1257751699.db2.gz HMXXYUKOAJXICU-WBVHZDCISA-N 2 2 359.430 0.728 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961182 1257751704 /nfs/dbraw/zinc/75/17/04/1257751704.db2.gz HMXXYUKOAJXICU-WBVHZDCISA-N 2 2 359.430 0.728 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001084057495 1257871432 /nfs/dbraw/zinc/87/14/32/1257871432.db2.gz NEVSZOLTABIJRM-MOPGFXCFSA-N 2 2 359.470 0.516 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001084057495 1257871439 /nfs/dbraw/zinc/87/14/39/1257871439.db2.gz NEVSZOLTABIJRM-MOPGFXCFSA-N 2 2 359.470 0.516 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001084059331 1257874690 /nfs/dbraw/zinc/87/46/90/1257874690.db2.gz CSORPURNCUHCNH-CVEARBPZSA-N 2 2 358.446 0.014 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001084059331 1257874701 /nfs/dbraw/zinc/87/47/01/1257874701.db2.gz CSORPURNCUHCNH-CVEARBPZSA-N 2 2 358.446 0.014 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060285 1257878252 /nfs/dbraw/zinc/87/82/52/1257878252.db2.gz QCHGDIUIBPKFLH-SJORKVTESA-N 2 2 360.462 0.639 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060285 1257878261 /nfs/dbraw/zinc/87/82/61/1257878261.db2.gz QCHGDIUIBPKFLH-SJORKVTESA-N 2 2 360.462 0.639 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC001084447533 1258116466 /nfs/dbraw/zinc/11/64/66/1258116466.db2.gz RRMYXMXGFIWCMC-JOCBIADPSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC001084447533 1258116470 /nfs/dbraw/zinc/11/64/70/1258116470.db2.gz RRMYXMXGFIWCMC-JOCBIADPSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC001084447533 1258116473 /nfs/dbraw/zinc/11/64/73/1258116473.db2.gz RRMYXMXGFIWCMC-JOCBIADPSA-N 2 2 359.474 0.537 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)ncn1 ZINC001084447533 1258116480 /nfs/dbraw/zinc/11/64/80/1258116480.db2.gz RRMYXMXGFIWCMC-JOCBIADPSA-N 2 2 359.474 0.537 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084487913 1258132541 /nfs/dbraw/zinc/13/25/41/1258132541.db2.gz DDNGEXHJMZOAOD-VNQPRFMTSA-N 2 2 367.409 0.286 20 0 FCADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001084487913 1258132544 /nfs/dbraw/zinc/13/25/44/1258132544.db2.gz DDNGEXHJMZOAOD-VNQPRFMTSA-N 2 2 367.409 0.286 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084525006 1258151269 /nfs/dbraw/zinc/15/12/69/1258151269.db2.gz XFSKIHLORFGCOI-FRFSOERESA-N 2 2 359.474 0.559 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001084525006 1258151272 /nfs/dbraw/zinc/15/12/72/1258151272.db2.gz XFSKIHLORFGCOI-FRFSOERESA-N 2 2 359.474 0.559 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084560838 1258170896 /nfs/dbraw/zinc/17/08/96/1258170896.db2.gz FKEUJFSNVFYYBE-IXDOHACOSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001084560838 1258170901 /nfs/dbraw/zinc/17/09/01/1258170901.db2.gz FKEUJFSNVFYYBE-IXDOHACOSA-N 2 2 359.474 0.815 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001084630734 1258211005 /nfs/dbraw/zinc/21/10/05/1258211005.db2.gz SEFWYFTTWXHQSZ-NVXWUHKLSA-N 2 2 359.474 0.860 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001084630734 1258211006 /nfs/dbraw/zinc/21/10/06/1258211006.db2.gz SEFWYFTTWXHQSZ-NVXWUHKLSA-N 2 2 359.474 0.860 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084744142 1258285189 /nfs/dbraw/zinc/28/51/89/1258285189.db2.gz WYENTKVADIBHDN-XOKHGSTOSA-N 2 2 368.441 0.678 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084744142 1258285191 /nfs/dbraw/zinc/28/51/91/1258285191.db2.gz WYENTKVADIBHDN-XOKHGSTOSA-N 2 2 368.441 0.678 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777810 1258320660 /nfs/dbraw/zinc/32/06/60/1258320660.db2.gz QSSNYORMJRQIQL-NVXWUHKLSA-N 2 2 358.490 0.735 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777810 1258320669 /nfs/dbraw/zinc/32/06/69/1258320669.db2.gz QSSNYORMJRQIQL-NVXWUHKLSA-N 2 2 358.490 0.735 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001084779679 1258322845 /nfs/dbraw/zinc/32/28/45/1258322845.db2.gz UKDVPGRZOBORNM-CXAGYDPISA-N 2 2 357.458 0.573 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001084779679 1258322853 /nfs/dbraw/zinc/32/28/53/1258322853.db2.gz UKDVPGRZOBORNM-CXAGYDPISA-N 2 2 357.458 0.573 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084780201 1258323195 /nfs/dbraw/zinc/32/31/95/1258323195.db2.gz UGKQQISEUQLIKP-ZTFGCOKTSA-N 2 2 371.485 0.915 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084780201 1258323204 /nfs/dbraw/zinc/32/32/04/1258323204.db2.gz UGKQQISEUQLIKP-ZTFGCOKTSA-N 2 2 371.485 0.915 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084798764 1258338028 /nfs/dbraw/zinc/33/80/28/1258338028.db2.gz AVJFYRZRWIVCPQ-NVXWUHKLSA-N 2 2 359.474 0.806 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC001084798764 1258338034 /nfs/dbraw/zinc/33/80/34/1258338034.db2.gz AVJFYRZRWIVCPQ-NVXWUHKLSA-N 2 2 359.474 0.806 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084805311 1258346528 /nfs/dbraw/zinc/34/65/28/1258346528.db2.gz IRHYPVXKMRCVRS-HYVNUMGLSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001084805311 1258346536 /nfs/dbraw/zinc/34/65/36/1258346536.db2.gz IRHYPVXKMRCVRS-HYVNUMGLSA-N 2 2 359.474 0.506 20 0 FCADLP Cc1oncc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834131 1258380871 /nfs/dbraw/zinc/38/08/71/1258380871.db2.gz MYMZOZMTWMQGEY-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP Cc1oncc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834131 1258380878 /nfs/dbraw/zinc/38/08/78/1258380878.db2.gz MYMZOZMTWMQGEY-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC001084849756 1258399901 /nfs/dbraw/zinc/39/99/01/1258399901.db2.gz SAOKNKWCSRCFEO-KZNAEPCWSA-N 2 2 356.470 0.783 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC001084849756 1258399910 /nfs/dbraw/zinc/39/99/10/1258399910.db2.gz SAOKNKWCSRCFEO-KZNAEPCWSA-N 2 2 356.470 0.783 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849676 1258400390 /nfs/dbraw/zinc/40/03/90/1258400390.db2.gz OBTOLUGYJRKELP-QZTJIDSGSA-N 2 2 358.486 0.983 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849676 1258400393 /nfs/dbraw/zinc/40/03/93/1258400393.db2.gz OBTOLUGYJRKELP-QZTJIDSGSA-N 2 2 358.486 0.983 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911143 1258433812 /nfs/dbraw/zinc/43/38/12/1258433812.db2.gz OXGPDPUHUAKGOU-NJAFHUGGSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911143 1258433814 /nfs/dbraw/zinc/43/38/14/1258433814.db2.gz OXGPDPUHUAKGOU-NJAFHUGGSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911143 1258433819 /nfs/dbraw/zinc/43/38/19/1258433819.db2.gz OXGPDPUHUAKGOU-NJAFHUGGSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911143 1258433823 /nfs/dbraw/zinc/43/38/23/1258433823.db2.gz OXGPDPUHUAKGOU-NJAFHUGGSA-N 2 2 361.490 0.482 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941587 1258454737 /nfs/dbraw/zinc/45/47/37/1258454737.db2.gz RKISMURRPSOOTM-IKGGRYGDSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941587 1258454743 /nfs/dbraw/zinc/45/47/43/1258454743.db2.gz RKISMURRPSOOTM-IKGGRYGDSA-N 2 2 358.490 0.580 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21)N1CCC1 ZINC001084975674 1258487244 /nfs/dbraw/zinc/48/72/44/1258487244.db2.gz OBPWJJNBNWTQJE-RYRKJORJSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21)N1CCC1 ZINC001084975674 1258487249 /nfs/dbraw/zinc/48/72/49/1258487249.db2.gz OBPWJJNBNWTQJE-RYRKJORJSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCCN3CCCC3=O)[C@H]2C1 ZINC001085043484 1258542360 /nfs/dbraw/zinc/54/23/60/1258542360.db2.gz AHWVGGVYCXOZJF-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCCN3CCCC3=O)[C@H]2C1 ZINC001085043484 1258542364 /nfs/dbraw/zinc/54/23/64/1258542364.db2.gz AHWVGGVYCXOZJF-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085044085 1258543625 /nfs/dbraw/zinc/54/36/25/1258543625.db2.gz ZRUVZRDWZLYYJZ-INMHGKMJSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085044085 1258543628 /nfs/dbraw/zinc/54/36/28/1258543628.db2.gz ZRUVZRDWZLYYJZ-INMHGKMJSA-N 2 2 359.474 0.791 20 0 FCADLP Cn1cncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001085056972 1258551827 /nfs/dbraw/zinc/55/18/27/1258551827.db2.gz WESAXYNTOKQMCL-AEFFLSMTSA-N 2 2 361.490 0.565 20 0 FCADLP Cn1cncc1C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001085056972 1258551831 /nfs/dbraw/zinc/55/18/31/1258551831.db2.gz WESAXYNTOKQMCL-AEFFLSMTSA-N 2 2 361.490 0.565 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085105898 1258598306 /nfs/dbraw/zinc/59/83/06/1258598306.db2.gz OCUDNEBCSYEYKU-BBWFWOEESA-N 2 2 359.474 0.722 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)[C@H]2C1 ZINC001085105898 1258598314 /nfs/dbraw/zinc/59/83/14/1258598314.db2.gz OCUDNEBCSYEYKU-BBWFWOEESA-N 2 2 359.474 0.722 20 0 FCADLP O=C(N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088171678 1258689360 /nfs/dbraw/zinc/68/93/60/1258689360.db2.gz BKLQVSMVMZYAOQ-CABCVRRESA-N 2 2 371.489 0.384 20 0 FCADLP O=C(N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088171678 1258689366 /nfs/dbraw/zinc/68/93/66/1258689366.db2.gz BKLQVSMVMZYAOQ-CABCVRRESA-N 2 2 371.489 0.384 20 0 FCADLP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088171308 1258689555 /nfs/dbraw/zinc/68/95/55/1258689555.db2.gz JQOPTCBEZWJTCI-ILXRZTDVSA-N 2 2 359.474 0.698 20 0 FCADLP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088171308 1258689564 /nfs/dbraw/zinc/68/95/64/1258689564.db2.gz JQOPTCBEZWJTCI-ILXRZTDVSA-N 2 2 359.474 0.698 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088201566 1258724187 /nfs/dbraw/zinc/72/41/87/1258724187.db2.gz IYSPIMUJGYDKGD-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088201566 1258724192 /nfs/dbraw/zinc/72/41/92/1258724192.db2.gz IYSPIMUJGYDKGD-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088201909 1258724208 /nfs/dbraw/zinc/72/42/08/1258724208.db2.gz ARQZXENZJBVBRE-XHSDSOJGSA-N 2 2 363.462 0.318 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088201909 1258724214 /nfs/dbraw/zinc/72/42/14/1258724214.db2.gz ARQZXENZJBVBRE-XHSDSOJGSA-N 2 2 363.462 0.318 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211315 1258733927 /nfs/dbraw/zinc/73/39/27/1258733927.db2.gz CVJRXSKSCQMLKL-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211315 1258733931 /nfs/dbraw/zinc/73/39/31/1258733931.db2.gz CVJRXSKSCQMLKL-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211315 1258733935 /nfs/dbraw/zinc/73/39/35/1258733935.db2.gz CVJRXSKSCQMLKL-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088211315 1258733942 /nfs/dbraw/zinc/73/39/42/1258733942.db2.gz CVJRXSKSCQMLKL-PMPSAXMXSA-N 2 2 361.494 0.365 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212580 1258735069 /nfs/dbraw/zinc/73/50/69/1258735069.db2.gz AKOHYHMHTOAAPB-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212580 1258735073 /nfs/dbraw/zinc/73/50/73/1258735073.db2.gz AKOHYHMHTOAAPB-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212580 1258735077 /nfs/dbraw/zinc/73/50/77/1258735077.db2.gz AKOHYHMHTOAAPB-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212580 1258735081 /nfs/dbraw/zinc/73/50/81/1258735081.db2.gz AKOHYHMHTOAAPB-IXDOHACOSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212856 1258735939 /nfs/dbraw/zinc/73/59/39/1258735939.db2.gz WOUSSVJVLJOVSX-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212856 1258735948 /nfs/dbraw/zinc/73/59/48/1258735948.db2.gz WOUSSVJVLJOVSX-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212856 1258735956 /nfs/dbraw/zinc/73/59/56/1258735956.db2.gz WOUSSVJVLJOVSX-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088212856 1258735958 /nfs/dbraw/zinc/73/59/58/1258735958.db2.gz WOUSSVJVLJOVSX-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088219421 1258740064 /nfs/dbraw/zinc/74/00/64/1258740064.db2.gz BNZYWNHEDPOBEF-OWCLPIDISA-N 2 2 355.446 0.442 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088219421 1258740069 /nfs/dbraw/zinc/74/00/69/1258740069.db2.gz BNZYWNHEDPOBEF-OWCLPIDISA-N 2 2 355.446 0.442 20 0 FCADLP NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c1 ZINC001088219438 1258740201 /nfs/dbraw/zinc/74/02/01/1258740201.db2.gz CQRMBHWZAJVEDB-MSOLQXFVSA-N 2 2 367.453 0.963 20 0 FCADLP NC(=O)c1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)c1 ZINC001088219438 1258740204 /nfs/dbraw/zinc/74/02/04/1258740204.db2.gz CQRMBHWZAJVEDB-MSOLQXFVSA-N 2 2 367.453 0.963 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088219714 1258740978 /nfs/dbraw/zinc/74/09/78/1258740978.db2.gz RJUUNTWLJZRPTL-RYRKJORJSA-N 2 2 371.485 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088219714 1258740986 /nfs/dbraw/zinc/74/09/86/1258740986.db2.gz RJUUNTWLJZRPTL-RYRKJORJSA-N 2 2 371.485 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088219422 1258741252 /nfs/dbraw/zinc/74/12/52/1258741252.db2.gz BNZYWNHEDPOBEF-PMPSAXMXSA-N 2 2 355.446 0.442 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088219422 1258741261 /nfs/dbraw/zinc/74/12/61/1258741261.db2.gz BNZYWNHEDPOBEF-PMPSAXMXSA-N 2 2 355.446 0.442 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089492228 1258758659 /nfs/dbraw/zinc/75/86/59/1258758659.db2.gz FJYMGADSFXYCCK-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089492228 1258758663 /nfs/dbraw/zinc/75/86/63/1258758663.db2.gz FJYMGADSFXYCCK-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@H]21 ZINC001090315382 1258773761 /nfs/dbraw/zinc/77/37/61/1258773761.db2.gz RZXLMQODUYEBBQ-DZGCQCFKSA-N 2 2 357.462 0.742 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735028 1258824738 /nfs/dbraw/zinc/82/47/38/1258824738.db2.gz NIFPFXLOCFMFLX-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735028 1258824740 /nfs/dbraw/zinc/82/47/40/1258824740.db2.gz NIFPFXLOCFMFLX-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092735028 1258824745 /nfs/dbraw/zinc/82/47/45/1258824745.db2.gz NIFPFXLOCFMFLX-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092735028 1258824750 /nfs/dbraw/zinc/82/47/50/1258824750.db2.gz NIFPFXLOCFMFLX-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1[nH+]cnc2c1cnn2C ZINC001092841049 1258864464 /nfs/dbraw/zinc/86/44/64/1258864464.db2.gz XJMVUGYWYGVLRP-SNPRPXQTSA-N 2 2 357.462 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001106704746 1258944065 /nfs/dbraw/zinc/94/40/65/1258944065.db2.gz BFEBSIDKKRACTG-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106748189 1258953348 /nfs/dbraw/zinc/95/33/48/1258953348.db2.gz NEKINCSRNNPEDL-RRFJBIMHSA-N 2 2 361.490 0.893 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106748189 1258953352 /nfs/dbraw/zinc/95/33/52/1258953352.db2.gz NEKINCSRNNPEDL-RRFJBIMHSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877122 1258985245 /nfs/dbraw/zinc/98/52/45/1258985245.db2.gz NIHUYXCHUCFOPY-OWCLPIDISA-N 2 2 363.506 0.902 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC001106922396 1258995769 /nfs/dbraw/zinc/99/57/69/1258995769.db2.gz BBVJTNZYHZMDDL-TZMCWYRMSA-N 2 2 371.445 0.373 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001107076401 1259028749 /nfs/dbraw/zinc/02/87/49/1259028749.db2.gz UMCJQHLJVRZKGL-RBSFLKMASA-N 2 2 361.446 0.153 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCNC(=O)NC(C)(C)C ZINC001107079354 1259029598 /nfs/dbraw/zinc/02/95/98/1259029598.db2.gz YVNRUOFPUPXZLX-HUUCEWRRSA-N 2 2 364.494 0.665 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343117 1259056743 /nfs/dbraw/zinc/05/67/43/1259056743.db2.gz LPTVGMBYSVRMIY-FRQCXROJSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343117 1259056752 /nfs/dbraw/zinc/05/67/52/1259056752.db2.gz LPTVGMBYSVRMIY-FRQCXROJSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343117 1259056759 /nfs/dbraw/zinc/05/67/59/1259056759.db2.gz LPTVGMBYSVRMIY-FRQCXROJSA-N 2 2 366.506 0.204 20 0 FCADLP CCCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343117 1259056765 /nfs/dbraw/zinc/05/67/65/1259056765.db2.gz LPTVGMBYSVRMIY-FRQCXROJSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C1CC1)CC2 ZINC001107530985 1259108801 /nfs/dbraw/zinc/10/88/01/1259108801.db2.gz WOUOIWRYRUYDKZ-CRAIPNDOSA-N 2 2 361.494 0.821 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C1CC1)CC2 ZINC001107530985 1259108812 /nfs/dbraw/zinc/10/88/12/1259108812.db2.gz WOUOIWRYRUYDKZ-CRAIPNDOSA-N 2 2 361.494 0.821 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC/C=C/CNc2[nH+]cnc3c2cnn3C)O1 ZINC001107575883 1259121177 /nfs/dbraw/zinc/12/11/77/1259121177.db2.gz ATNCZXZYSUBFRP-BSWNYTGASA-N 2 2 359.434 0.167 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC/C=C/CNc2[nH+]cnc3c2cnn3C)O1 ZINC001107575883 1259121179 /nfs/dbraw/zinc/12/11/79/1259121179.db2.gz ATNCZXZYSUBFRP-BSWNYTGASA-N 2 2 359.434 0.167 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC001107588067 1259126857 /nfs/dbraw/zinc/12/68/57/1259126857.db2.gz CDYAJRORKWSIPR-DNVCBOLYSA-N 2 2 359.474 0.935 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC001107588067 1259126865 /nfs/dbraw/zinc/12/68/65/1259126865.db2.gz CDYAJRORKWSIPR-DNVCBOLYSA-N 2 2 359.474 0.935 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609657 1259133941 /nfs/dbraw/zinc/13/39/41/1259133941.db2.gz AAAQIIXSKBAYMQ-VQIMIIECSA-N 2 2 361.490 0.848 20 0 FCADLP CC(C)NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609657 1259133943 /nfs/dbraw/zinc/13/39/43/1259133943.db2.gz AAAQIIXSKBAYMQ-VQIMIIECSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCN3CCCC3=O)CCO2)CC[N@@H+]1C ZINC001107952461 1259146171 /nfs/dbraw/zinc/14/61/71/1259146171.db2.gz CTBCEQJSXBQZTR-GPMSIDNRSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[NH+](CCN3CCCC3=O)CCO2)CC[N@H+]1C ZINC001107952461 1259146177 /nfs/dbraw/zinc/14/61/77/1259146177.db2.gz CTBCEQJSXBQZTR-GPMSIDNRSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@H+](CCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001107952461 1259146180 /nfs/dbraw/zinc/14/61/80/1259146180.db2.gz CTBCEQJSXBQZTR-GPMSIDNRSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)C[N@@H+](CCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001107952461 1259146184 /nfs/dbraw/zinc/14/61/84/1259146184.db2.gz CTBCEQJSXBQZTR-GPMSIDNRSA-N 2 2 366.506 0.156 20 0 FCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)o1 ZINC001127571725 1259181214 /nfs/dbraw/zinc/18/12/14/1259181214.db2.gz ZWNSMBNGPSYWIH-PBHICJAKSA-N 2 2 365.478 0.585 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276351 1259364277 /nfs/dbraw/zinc/36/42/77/1259364277.db2.gz GWXXNDQUINDHNH-CVEARBPZSA-N 2 2 364.494 0.388 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276351 1259364287 /nfs/dbraw/zinc/36/42/87/1259364287.db2.gz GWXXNDQUINDHNH-CVEARBPZSA-N 2 2 364.494 0.388 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276351 1259364296 /nfs/dbraw/zinc/36/42/96/1259364296.db2.gz GWXXNDQUINDHNH-CVEARBPZSA-N 2 2 364.494 0.388 20 0 FCADLP CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276351 1259364304 /nfs/dbraw/zinc/36/43/04/1259364304.db2.gz GWXXNDQUINDHNH-CVEARBPZSA-N 2 2 364.494 0.388 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001212301130 1259457982 /nfs/dbraw/zinc/45/79/82/1259457982.db2.gz DKOYQCXAWUWAGW-DJIMGWMZSA-N 2 2 364.490 0.738 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001212301130 1259457985 /nfs/dbraw/zinc/45/79/85/1259457985.db2.gz DKOYQCXAWUWAGW-DJIMGWMZSA-N 2 2 364.490 0.738 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430401 1259502900 /nfs/dbraw/zinc/50/29/00/1259502900.db2.gz MFGAXPFDKYANOQ-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430401 1259502902 /nfs/dbraw/zinc/50/29/02/1259502902.db2.gz MFGAXPFDKYANOQ-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430401 1259502907 /nfs/dbraw/zinc/50/29/07/1259502907.db2.gz MFGAXPFDKYANOQ-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430401 1259502908 /nfs/dbraw/zinc/50/29/08/1259502908.db2.gz MFGAXPFDKYANOQ-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212452798 1259513136 /nfs/dbraw/zinc/51/31/36/1259513136.db2.gz KAMKUJTUPDXXBI-BRSBDYLESA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212452798 1259513139 /nfs/dbraw/zinc/51/31/39/1259513139.db2.gz KAMKUJTUPDXXBI-BRSBDYLESA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001212452798 1259513145 /nfs/dbraw/zinc/51/31/45/1259513145.db2.gz KAMKUJTUPDXXBI-BRSBDYLESA-N 2 2 371.522 0.584 20 0 FCADLP CO[C@@H]1C[NH+](CCOCCC(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212452798 1259513150 /nfs/dbraw/zinc/51/31/50/1259513150.db2.gz KAMKUJTUPDXXBI-BRSBDYLESA-N 2 2 371.522 0.584 20 0 FCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206122 1259569282 /nfs/dbraw/zinc/56/92/82/1259569282.db2.gz RSBWRKHQISQVDF-CABCVRRESA-N 3 2 371.476 0.951 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@H+](CCCCCO)C2 ZINC001235556012 1259578503 /nfs/dbraw/zinc/57/85/03/1259578503.db2.gz YPFYBJLTMIRCAB-QGZVFWFLSA-N 2 2 366.506 0.831 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@@H+](CCCCCO)C2 ZINC001235556012 1259578511 /nfs/dbraw/zinc/57/85/11/1259578511.db2.gz YPFYBJLTMIRCAB-QGZVFWFLSA-N 2 2 366.506 0.831 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1cccc(N2CCOCC2)c1 ZINC001236310972 1259589436 /nfs/dbraw/zinc/58/94/36/1259589436.db2.gz CTKNGQSSFLKEFF-UHFFFAOYSA-N 3 2 363.506 0.139 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1cccc(N2CCOCC2)c1 ZINC001236310972 1259589439 /nfs/dbraw/zinc/58/94/39/1259589439.db2.gz CTKNGQSSFLKEFF-UHFFFAOYSA-N 3 2 363.506 0.139 20 0 FCADLP CCn1cncc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001237588868 1259605139 /nfs/dbraw/zinc/60/51/39/1259605139.db2.gz MCKOPAVCKRKZNR-UHFFFAOYSA-N 2 2 362.522 0.573 20 0 FCADLP CCn1cncc1CN1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001237588868 1259605150 /nfs/dbraw/zinc/60/51/50/1259605150.db2.gz MCKOPAVCKRKZNR-UHFFFAOYSA-N 2 2 362.522 0.573 20 0 FCADLP Cc1cnc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001237805280 1259608719 /nfs/dbraw/zinc/60/87/19/1259608719.db2.gz AVLCHBVYQBMDHJ-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP Cc1cnc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001237805280 1259608728 /nfs/dbraw/zinc/60/87/28/1259608728.db2.gz AVLCHBVYQBMDHJ-UHFFFAOYSA-N 2 2 353.474 0.928 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001335333807 1259609849 /nfs/dbraw/zinc/60/98/49/1259609849.db2.gz XYYJVFQKMDHAJO-CABCVRRESA-N 2 2 368.503 0.413 20 0 FCADLP CCOC[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691173 1259658908 /nfs/dbraw/zinc/65/89/08/1259658908.db2.gz DLJNTFCDZKMFOL-JKSUJKDBSA-N 2 2 360.506 0.718 20 0 FCADLP CCOC[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)Cc2nnn(CC3CC3)c21 ZINC001246691173 1259658913 /nfs/dbraw/zinc/65/89/13/1259658913.db2.gz DLJNTFCDZKMFOL-JKSUJKDBSA-N 2 2 360.506 0.718 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246674130 1259660125 /nfs/dbraw/zinc/66/01/25/1259660125.db2.gz NSSYUAWWZBAWFY-CVEARBPZSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CCC(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246674130 1259660129 /nfs/dbraw/zinc/66/01/29/1259660129.db2.gz NSSYUAWWZBAWFY-CVEARBPZSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1CC[C@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C[NH2+]1 ZINC001246705807 1259664221 /nfs/dbraw/zinc/66/42/21/1259664221.db2.gz YSDMVBGMFWQFPO-CABCVRRESA-N 2 2 360.506 0.306 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H](OC)[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)C[NH2+]1 ZINC001246716710 1259669065 /nfs/dbraw/zinc/66/90/65/1259669065.db2.gz GLCROOBNCDZZHH-ICBNADEASA-N 2 2 374.485 0.506 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H](OC)[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)C[NH2+]1 ZINC001246716710 1259669071 /nfs/dbraw/zinc/66/90/71/1259669071.db2.gz GLCROOBNCDZZHH-ICBNADEASA-N 2 2 374.485 0.506 20 0 FCADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754324 1259681574 /nfs/dbraw/zinc/68/15/74/1259681574.db2.gz QFQWGVXGKMEITB-GOSISDBHSA-N 3 2 358.534 0.945 20 0 FCADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)n1 ZINC001246754324 1259681578 /nfs/dbraw/zinc/68/15/78/1259681578.db2.gz QFQWGVXGKMEITB-GOSISDBHSA-N 3 2 358.534 0.945 20 0 FCADLP C[NH2+]CC[C@@H](C)[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246910783 1259694246 /nfs/dbraw/zinc/69/42/46/1259694246.db2.gz LNUORJHQZIFPIX-PMPSAXMXSA-N 3 2 373.492 0.200 20 0 FCADLP COc1nccc(C)c1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247331994 1259700377 /nfs/dbraw/zinc/70/03/77/1259700377.db2.gz BMHNMVMKQXSCGK-NSHDSACASA-N 2 2 357.374 0.358 20 0 FCADLP CC(=O)c1ccc(F)c(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247333525 1259701104 /nfs/dbraw/zinc/70/11/04/1259701104.db2.gz OKUWMXBDZKZBMX-AWEZNQCLSA-N 2 2 372.360 0.988 20 0 FCADLP CC(=O)c1ccccc1-c1noc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001247333584 1259701590 /nfs/dbraw/zinc/70/15/90/1259701590.db2.gz PGQWDMNQTRYATR-AWEZNQCLSA-N 2 2 354.370 0.849 20 0 FCADLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCCNC(N)=O)n3)cc2)CC1 ZINC001247638283 1259705284 /nfs/dbraw/zinc/70/52/84/1259705284.db2.gz HXQIGIRJXLQSPY-HNNXBMFYSA-N 2 2 373.461 0.937 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001335604413 1259738867 /nfs/dbraw/zinc/73/88/67/1259738867.db2.gz NUTOERXHBSFVRR-CVEARBPZSA-N 2 2 352.479 0.261 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001335604420 1259739074 /nfs/dbraw/zinc/73/90/74/1259739074.db2.gz NUTOERXHBSFVRR-HZPDHXFCSA-N 2 2 352.479 0.261 20 0 FCADLP CCCCOC[C@@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252508614 1259793362 /nfs/dbraw/zinc/79/33/62/1259793362.db2.gz WFTMVIKUCAPGPD-AWEZNQCLSA-N 2 2 368.478 0.502 20 0 FCADLP CCCCOC[C@@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001252508614 1259793367 /nfs/dbraw/zinc/79/33/67/1259793367.db2.gz WFTMVIKUCAPGPD-AWEZNQCLSA-N 2 2 368.478 0.502 20 0 FCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COCc1ccco1)CC2 ZINC001252634315 1259799023 /nfs/dbraw/zinc/79/90/23/1259799023.db2.gz HVZQWUGYEZYOIG-INIZCTEOSA-N 2 2 365.474 0.834 20 0 FCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](O)COCc1ccco1)CC2 ZINC001252634315 1259799027 /nfs/dbraw/zinc/79/90/27/1259799027.db2.gz HVZQWUGYEZYOIG-INIZCTEOSA-N 2 2 365.474 0.834 20 0 FCADLP COc1ccccc1OC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252906938 1259811161 /nfs/dbraw/zinc/81/11/61/1259811161.db2.gz KVYGKJACNGEBCP-OAHLLOKOSA-N 2 2 362.430 0.497 20 0 FCADLP COc1ccccc1OC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252906938 1259811164 /nfs/dbraw/zinc/81/11/64/1259811164.db2.gz KVYGKJACNGEBCP-OAHLLOKOSA-N 2 2 362.430 0.497 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948930 1259812786 /nfs/dbraw/zinc/81/27/86/1259812786.db2.gz BMMUSLRARFAKDR-AZUAARDMSA-N 2 2 372.469 0.731 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948930 1259812795 /nfs/dbraw/zinc/81/27/95/1259812795.db2.gz BMMUSLRARFAKDR-AZUAARDMSA-N 2 2 372.469 0.731 20 0 FCADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@H+]1CC1(O)CCOCC1 ZINC001252961176 1259816310 /nfs/dbraw/zinc/81/63/10/1259816310.db2.gz GGRADHMAICRFRW-INIZCTEOSA-N 2 2 363.506 0.549 20 0 FCADLP C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CC[N@@H+]1CC1(O)CCOCC1 ZINC001252961176 1259816316 /nfs/dbraw/zinc/81/63/16/1259816316.db2.gz GGRADHMAICRFRW-INIZCTEOSA-N 2 2 363.506 0.549 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001253182427 1259826661 /nfs/dbraw/zinc/82/66/61/1259826661.db2.gz PIDRZXSJOLITDL-TXPKVOOTSA-N 2 2 371.522 0.850 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001253182427 1259826671 /nfs/dbraw/zinc/82/66/71/1259826671.db2.gz PIDRZXSJOLITDL-TXPKVOOTSA-N 2 2 371.522 0.850 20 0 FCADLP Cc1nc(N2CC[NH+](CCO)CC2)cc(NC[C@H](O)COC(C)(C)C)[nH+]1 ZINC001253442024 1259840050 /nfs/dbraw/zinc/84/00/50/1259840050.db2.gz GLJYTNQAAXBTQV-HNNXBMFYSA-N 2 2 367.494 0.487 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001254319862 1259877243 /nfs/dbraw/zinc/87/72/43/1259877243.db2.gz LYVSLVGAJOOYRQ-UHFFFAOYSA-N 2 2 368.570 0.293 20 0 FCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001254319862 1259877250 /nfs/dbraw/zinc/87/72/50/1259877250.db2.gz LYVSLVGAJOOYRQ-UHFFFAOYSA-N 2 2 368.570 0.293 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254859280 1259898839 /nfs/dbraw/zinc/89/88/39/1259898839.db2.gz LBQABNLPONDXRR-SFHVURJKSA-N 2 2 372.513 0.821 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254859280 1259898844 /nfs/dbraw/zinc/89/88/44/1259898844.db2.gz LBQABNLPONDXRR-SFHVURJKSA-N 2 2 372.513 0.821 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2CC2CCOCC2)CC1 ZINC001336194061 1260035657 /nfs/dbraw/zinc/03/56/57/1260035657.db2.gz UZTQWUKULJRUPB-KRWDZBQOSA-N 2 2 354.495 0.637 20 0 FCADLP COC1(OC)CCOC[C@H]1[NH2+]CCC[NH2+][C@H]1COCCC1(OC)OC ZINC001336197342 1260036924 /nfs/dbraw/zinc/03/69/24/1260036924.db2.gz DUDWRSXYMFOXLQ-GASCZTMLSA-N 2 2 362.467 0.112 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336779893 1260221964 /nfs/dbraw/zinc/22/19/64/1260221964.db2.gz KXKJMTYCBFZSMS-KBAYOESNSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336779893 1260221976 /nfs/dbraw/zinc/22/19/76/1260221976.db2.gz KXKJMTYCBFZSMS-KBAYOESNSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC001336803330 1260227282 /nfs/dbraw/zinc/22/72/82/1260227282.db2.gz ZARQJOKJCNLMGY-WDYCEAGBSA-N 2 2 351.491 0.797 20 0 FCADLP COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001336803330 1260227287 /nfs/dbraw/zinc/22/72/87/1260227287.db2.gz ZARQJOKJCNLMGY-WDYCEAGBSA-N 2 2 351.491 0.797 20 0 FCADLP O=C(NCc1n[nH]c(C2CC2)n1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336878360 1260244366 /nfs/dbraw/zinc/24/43/66/1260244366.db2.gz YTQIUQPUOJUTFQ-GASCZTMLSA-N 2 2 359.478 0.792 20 0 FCADLP O=C(NCc1n[nH]c(C2CC2)n1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336878360 1260244373 /nfs/dbraw/zinc/24/43/73/1260244373.db2.gz YTQIUQPUOJUTFQ-GASCZTMLSA-N 2 2 359.478 0.792 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1)Nc1ccccc1 ZINC001262091538 1260259855 /nfs/dbraw/zinc/25/98/55/1260259855.db2.gz KRFCUDNRLDRJLJ-IRXDYDNUSA-N 2 2 357.458 0.845 20 0 FCADLP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001336991351 1260277878 /nfs/dbraw/zinc/27/78/78/1260277878.db2.gz YOYFNQRNTHIMAM-RTBURBONSA-N 2 2 366.469 0.971 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142018 1260321299 /nfs/dbraw/zinc/32/12/99/1260321299.db2.gz KNUHGKHGSSBVDH-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001337142018 1260321305 /nfs/dbraw/zinc/32/13/05/1260321305.db2.gz KNUHGKHGSSBVDH-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265496465 1260414148 /nfs/dbraw/zinc/41/41/48/1260414148.db2.gz VKZSTNIWKUFCSS-OXGONZEZSA-N 2 2 361.490 0.921 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001271683085 1260446277 /nfs/dbraw/zinc/44/62/77/1260446277.db2.gz LGIGIBOLMPABKW-IXDOHACOSA-N 2 2 357.458 0.569 20 0 FCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)CC3)[C@@H]2C1 ZINC001272676481 1260476732 /nfs/dbraw/zinc/47/67/32/1260476732.db2.gz GKDZVBRYAIKACK-ZIAGYGMSSA-N 2 2 353.426 0.845 20 0 FCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)CC3)[C@@H]2C1 ZINC001272676481 1260476738 /nfs/dbraw/zinc/47/67/38/1260476738.db2.gz GKDZVBRYAIKACK-ZIAGYGMSSA-N 2 2 353.426 0.845 20 0 FCADLP COCCOC[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217169 1260626243 /nfs/dbraw/zinc/62/62/43/1260626243.db2.gz LAGLJXQKFGEESR-KRWDZBQOSA-N 2 2 369.506 0.642 20 0 FCADLP COCCOC[N@H+]1CCCC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217169 1260626251 /nfs/dbraw/zinc/62/62/51/1260626251.db2.gz LAGLJXQKFGEESR-KRWDZBQOSA-N 2 2 369.506 0.642 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001273217169 1260626259 /nfs/dbraw/zinc/62/62/59/1260626259.db2.gz LAGLJXQKFGEESR-KRWDZBQOSA-N 2 2 369.506 0.642 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001273217169 1260626268 /nfs/dbraw/zinc/62/62/68/1260626268.db2.gz LAGLJXQKFGEESR-KRWDZBQOSA-N 2 2 369.506 0.642 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001278185218 1260686867 /nfs/dbraw/zinc/68/68/67/1260686867.db2.gz ZIPYHNRFCYFGNG-IXDOHACOSA-N 2 2 368.522 0.942 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001278185218 1260686871 /nfs/dbraw/zinc/68/68/71/1260686871.db2.gz ZIPYHNRFCYFGNG-IXDOHACOSA-N 2 2 368.522 0.942 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](CCN(C)C)C[C@@H]23)no1 ZINC001279402341 1260861722 /nfs/dbraw/zinc/86/17/22/1260861722.db2.gz BMDWBSFNEQCITC-IRXDYDNUSA-N 2 2 361.490 0.557 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](CCN(C)C)C[C@@H]23)no1 ZINC001279402341 1260861728 /nfs/dbraw/zinc/86/17/28/1260861728.db2.gz BMDWBSFNEQCITC-IRXDYDNUSA-N 2 2 361.490 0.557 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001279473486 1260876956 /nfs/dbraw/zinc/87/69/56/1260876956.db2.gz CPFZEEYUGUXCOI-VJANTYMQSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]21 ZINC001279473486 1260876962 /nfs/dbraw/zinc/87/69/62/1260876962.db2.gz CPFZEEYUGUXCOI-VJANTYMQSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001279473487 1260877048 /nfs/dbraw/zinc/87/70/48/1260877048.db2.gz CPFZEEYUGUXCOI-XWSJACJDSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001279473487 1260877053 /nfs/dbraw/zinc/87/70/53/1260877053.db2.gz CPFZEEYUGUXCOI-XWSJACJDSA-N 2 2 363.502 0.951 20 0 FCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccnc(N4CCOCC4)c3)C2)C1 ZINC001279668106 1260910786 /nfs/dbraw/zinc/91/07/86/1260910786.db2.gz OGOBLPYQGIYITE-UHFFFAOYSA-N 2 2 359.518 0.988 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2CC23C[NH+](Cc2ccnnc2)C3)cn1 ZINC001279859849 1260945387 /nfs/dbraw/zinc/94/53/87/1260945387.db2.gz OMMQYPQJEUTQNE-MRXNPFEDSA-N 2 2 355.446 0.695 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)C1=NO[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]12 ZINC001279890589 1260951983 /nfs/dbraw/zinc/95/19/83/1260951983.db2.gz VVLAMHRRSKFDEF-HZSPNIEDSA-N 2 2 355.398 0.996 20 0 FCADLP O=C(Nc1cccc2[nH+]ccn21)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]12 ZINC001279890589 1260951987 /nfs/dbraw/zinc/95/19/87/1260951987.db2.gz VVLAMHRRSKFDEF-HZSPNIEDSA-N 2 2 355.398 0.996 20 0 FCADLP COCCOCN1CC[N@@H+](C2CC[NH+](C)CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280070588 1260990015 /nfs/dbraw/zinc/99/00/15/1260990015.db2.gz CUOYZOSGPOPRHD-IBGZPJMESA-N 2 2 368.522 0.358 20 0 FCADLP COCCOCN1CC[N@H+](C2CC[NH+](C)CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280070588 1260990020 /nfs/dbraw/zinc/99/00/20/1260990020.db2.gz CUOYZOSGPOPRHD-IBGZPJMESA-N 2 2 368.522 0.358 20 0 FCADLP C[NH+]1CCC(N2CC[N@H+](Cc3cn[nH]c3)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001280071669 1260990916 /nfs/dbraw/zinc/99/09/16/1260990916.db2.gz XOXREDBIFGVKJP-LJQANCHMSA-N 2 2 360.506 0.660 20 0 FCADLP C[NH+]1CCC(N2CC[N@@H+](Cc3cn[nH]c3)C[C@]3(CCCC(=O)N3)C2)CC1 ZINC001280071669 1260990919 /nfs/dbraw/zinc/99/09/19/1260990919.db2.gz XOXREDBIFGVKJP-LJQANCHMSA-N 2 2 360.506 0.660 20 0 FCADLP CCN(C)c1nc(N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)[nH+]cc1C ZINC001280111863 1261006030 /nfs/dbraw/zinc/00/60/30/1261006030.db2.gz KJXDQVWFVFLFMY-HUUCEWRRSA-N 2 2 358.490 0.888 20 0 FCADLP CCN(C)c1nc(N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)[nH+]cc1C ZINC001280111863 1261006036 /nfs/dbraw/zinc/00/60/36/1261006036.db2.gz KJXDQVWFVFLFMY-HUUCEWRRSA-N 2 2 358.490 0.888 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[N@@H+](C2CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280176539 1261021750 /nfs/dbraw/zinc/02/17/50/1261021750.db2.gz VWCVEDRHIIFMEN-YLJYHZDGSA-N 2 2 360.502 0.816 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CC[N@H+](C2CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280176539 1261021754 /nfs/dbraw/zinc/02/17/54/1261021754.db2.gz VWCVEDRHIIFMEN-YLJYHZDGSA-N 2 2 360.502 0.816 20 0 FCADLP C[NH+](C)CC1(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NCCn2ccnn2)CCCC1 ZINC001280237612 1261041208 /nfs/dbraw/zinc/04/12/08/1261041208.db2.gz QEIXJHLLYXVJDL-APWZRJJASA-N 2 2 360.506 0.981 20 0 FCADLP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NCCn2ccnn2)CCCC1 ZINC001280237612 1261041211 /nfs/dbraw/zinc/04/12/11/1261041211.db2.gz QEIXJHLLYXVJDL-APWZRJJASA-N 2 2 360.506 0.981 20 0 FCADLP Cn1cncc1C[NH+]1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280289602 1261047731 /nfs/dbraw/zinc/04/77/31/1261047731.db2.gz INIWROUTDIBTDH-INIZCTEOSA-N 2 2 357.462 0.639 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001281631728 1261130132 /nfs/dbraw/zinc/13/01/32/1261130132.db2.gz DUWRZEPGKJYKFM-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001281631728 1261130137 /nfs/dbraw/zinc/13/01/37/1261130137.db2.gz DUWRZEPGKJYKFM-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001281631728 1261130139 /nfs/dbraw/zinc/13/01/39/1261130139.db2.gz DUWRZEPGKJYKFM-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001281631728 1261130142 /nfs/dbraw/zinc/13/01/42/1261130142.db2.gz DUWRZEPGKJYKFM-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1O)C1CCC1 ZINC001281683302 1261147724 /nfs/dbraw/zinc/14/77/24/1261147724.db2.gz FAUWGAKUJFTZTK-GDBMZVCRSA-N 2 2 371.441 0.120 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1O)C1CCC1 ZINC001281683302 1261147726 /nfs/dbraw/zinc/14/77/26/1261147726.db2.gz FAUWGAKUJFTZTK-GDBMZVCRSA-N 2 2 371.441 0.120 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001281839222 1261223697 /nfs/dbraw/zinc/22/36/97/1261223697.db2.gz WEGLXLKLIPXUAH-BFYDXBDKSA-N 2 2 365.478 0.271 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001281839222 1261223700 /nfs/dbraw/zinc/22/37/00/1261223700.db2.gz WEGLXLKLIPXUAH-BFYDXBDKSA-N 2 2 365.478 0.271 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1 ZINC001472577795 1261476131 /nfs/dbraw/zinc/47/61/31/1261476131.db2.gz AFADEWJFPYOHCP-INIZCTEOSA-N 2 2 362.474 0.714 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526508 1261730517 /nfs/dbraw/zinc/73/05/17/1261730517.db2.gz LZXGHGXOKREBAD-BZSNNMDCSA-N 2 2 368.570 0.192 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001345526508 1261730520 /nfs/dbraw/zinc/73/05/20/1261730520.db2.gz LZXGHGXOKREBAD-BZSNNMDCSA-N 2 2 368.570 0.192 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001580354638 1278157780 /nfs/dbraw/zinc/15/77/80/1278157780.db2.gz JYXNNNVCBHZPNB-XPKDYRNWSA-N 2 2 370.461 0.687 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001580354638 1278157789 /nfs/dbraw/zinc/15/77/89/1278157789.db2.gz JYXNNNVCBHZPNB-XPKDYRNWSA-N 2 2 370.461 0.687 20 0 FCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001297335035 1262862457 /nfs/dbraw/zinc/86/24/57/1262862457.db2.gz SVDSZKKZNPKUGI-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001297335035 1262862463 /nfs/dbraw/zinc/86/24/63/1262862463.db2.gz SVDSZKKZNPKUGI-HLLBOEOZSA-N 2 2 361.490 0.752 20 0 FCADLP CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC001303495018 1263100788 /nfs/dbraw/zinc/10/07/88/1263100788.db2.gz ZVFAXWNWAZZZCU-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC001303495018 1263100791 /nfs/dbraw/zinc/10/07/91/1263100791.db2.gz ZVFAXWNWAZZZCU-IBGZPJMESA-N 2 2 372.513 0.972 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580373281 1278182812 /nfs/dbraw/zinc/18/28/12/1278182812.db2.gz QNJRVVAPOQBCKX-OCCSQVGLSA-N 2 2 370.461 0.829 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001479571314 1263259766 /nfs/dbraw/zinc/25/97/66/1263259766.db2.gz WEIXYMAAVLCJLC-CVEARBPZSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001479580335 1263263184 /nfs/dbraw/zinc/26/31/84/1263263184.db2.gz PTGICFVYZQFOMM-PMPSAXMXSA-N 2 2 360.462 0.427 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC001313400605 1263315320 /nfs/dbraw/zinc/31/53/20/1263315320.db2.gz FDJFBEBEOUSDSG-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC001313400605 1263315327 /nfs/dbraw/zinc/31/53/27/1263315327.db2.gz FDJFBEBEOUSDSG-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001313400605 1263315337 /nfs/dbraw/zinc/31/53/37/1263315337.db2.gz FDJFBEBEOUSDSG-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001313400605 1263315347 /nfs/dbraw/zinc/31/53/47/1263315347.db2.gz FDJFBEBEOUSDSG-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001316753412 1263455423 /nfs/dbraw/zinc/45/54/23/1263455423.db2.gz FJPFOAMGJQGXQU-OWCLPIDISA-N 2 2 358.442 0.736 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001316753412 1263455433 /nfs/dbraw/zinc/45/54/33/1263455433.db2.gz FJPFOAMGJQGXQU-OWCLPIDISA-N 2 2 358.442 0.736 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](Cc3ccccc3N(C)C)C2)CC[N@@H+]1C ZINC001484273924 1263463768 /nfs/dbraw/zinc/46/37/68/1263463768.db2.gz VPHVTDJEUYDALF-NVXWUHKLSA-N 2 2 360.502 0.756 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](Cc3ccccc3N(C)C)C2)CC[N@H+]1C ZINC001484273924 1263463775 /nfs/dbraw/zinc/46/37/75/1263463775.db2.gz VPHVTDJEUYDALF-NVXWUHKLSA-N 2 2 360.502 0.756 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC001317461591 1263514626 /nfs/dbraw/zinc/51/46/26/1263514626.db2.gz OCRIODZJNWLMGP-HZPDHXFCSA-N 2 2 355.442 0.871 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC001317461591 1263514630 /nfs/dbraw/zinc/51/46/30/1263514630.db2.gz OCRIODZJNWLMGP-HZPDHXFCSA-N 2 2 355.442 0.871 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NCc3ccccc3)C2)CC[N@@H+]1C ZINC001318120699 1263545030 /nfs/dbraw/zinc/54/50/30/1263545030.db2.gz BMVINVHDWSVJDV-CRAIPNDOSA-N 2 2 358.486 0.691 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)NCc3ccccc3)C2)CC[N@H+]1C ZINC001318120699 1263545036 /nfs/dbraw/zinc/54/50/36/1263545036.db2.gz BMVINVHDWSVJDV-CRAIPNDOSA-N 2 2 358.486 0.691 20 0 FCADLP Cc1c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cnn1-c1cc[nH+]cc1 ZINC001319788673 1263731702 /nfs/dbraw/zinc/73/17/02/1263731702.db2.gz DARRBTXQTALWDH-UHFFFAOYSA-N 2 2 356.430 0.470 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC001320271436 1263779970 /nfs/dbraw/zinc/77/99/70/1263779970.db2.gz BTGGROLMNFABSA-BZUAXINKSA-N 2 2 371.441 0.229 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001495542322 1263824749 /nfs/dbraw/zinc/82/47/49/1263824749.db2.gz AKJDXGDHUJRAOV-BPLDGKMQSA-N 2 2 358.446 0.740 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncc(Cl)n1C ZINC001497057932 1263914370 /nfs/dbraw/zinc/91/43/70/1263914370.db2.gz MKRKALAZPBNUTA-QJPTWQEYSA-N 2 2 366.853 0.177 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001321859922 1264083735 /nfs/dbraw/zinc/08/37/35/1264083735.db2.gz BBFUVXGBMIGTSO-OAHLLOKOSA-N 2 2 363.462 0.007 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001322665828 1264239378 /nfs/dbraw/zinc/23/93/78/1264239378.db2.gz ORZGJZUNCIECAA-SFHVURJKSA-N 2 2 373.501 0.669 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001322665828 1264239386 /nfs/dbraw/zinc/23/93/86/1264239386.db2.gz ORZGJZUNCIECAA-SFHVURJKSA-N 2 2 373.501 0.669 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001322696759 1264245611 /nfs/dbraw/zinc/24/56/11/1264245611.db2.gz ZRBFLMLGDSVNPZ-OWCLPIDISA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001322696759 1264245617 /nfs/dbraw/zinc/24/56/17/1264245617.db2.gz ZRBFLMLGDSVNPZ-OWCLPIDISA-N 2 2 361.490 0.800 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001322774287 1264261362 /nfs/dbraw/zinc/26/13/62/1264261362.db2.gz RMPKPJQKLMJDSP-IAGOWNOFSA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001322774287 1264261373 /nfs/dbraw/zinc/26/13/73/1264261373.db2.gz RMPKPJQKLMJDSP-IAGOWNOFSA-N 2 2 373.501 0.802 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001525952148 1266775777 /nfs/dbraw/zinc/77/57/77/1266775777.db2.gz PXHWYIBXKSDPBT-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001525952148 1266775784 /nfs/dbraw/zinc/77/57/84/1266775784.db2.gz PXHWYIBXKSDPBT-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)CC[N@H+](C)C1 ZINC001325277131 1264832368 /nfs/dbraw/zinc/83/23/68/1264832368.db2.gz GJLJFGUPXPATFU-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)CC[N@@H+](C)C1 ZINC001325277131 1264832381 /nfs/dbraw/zinc/83/23/81/1264832381.db2.gz GJLJFGUPXPATFU-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277131 1264832390 /nfs/dbraw/zinc/83/23/90/1264832390.db2.gz GJLJFGUPXPATFU-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC[NH+](C)C1 ZINC001325277131 1264832395 /nfs/dbraw/zinc/83/23/95/1264832395.db2.gz GJLJFGUPXPATFU-ZWKOTPCHSA-N 2 2 374.485 0.999 20 0 FCADLP COC[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001325480323 1264902039 /nfs/dbraw/zinc/90/20/39/1264902039.db2.gz KFXHXQDPDNEVOW-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP COC[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001325480323 1264902047 /nfs/dbraw/zinc/90/20/47/1264902047.db2.gz KFXHXQDPDNEVOW-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001325718872 1264977218 /nfs/dbraw/zinc/97/72/18/1264977218.db2.gz UWZSGLXSEWIPQS-UHFFFAOYSA-N 2 2 366.506 0.159 20 0 FCADLP C[C@@H](O)CN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC001326856315 1265184342 /nfs/dbraw/zinc/18/43/42/1265184342.db2.gz QTWLKZOWCSNXMJ-CQSZACIVSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[C@H](C[NH3+])C1 ZINC001333652998 1266667329 /nfs/dbraw/zinc/66/73/29/1266667329.db2.gz CLGBQCYTBZQHMG-OAGGEKHMSA-N 2 2 361.490 0.787 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001333720148 1266690308 /nfs/dbraw/zinc/69/03/08/1266690308.db2.gz TXWPOPXKBWITQD-QWHCGFSZSA-N 2 2 354.476 0.606 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001333720148 1266690315 /nfs/dbraw/zinc/69/03/15/1266690315.db2.gz TXWPOPXKBWITQD-QWHCGFSZSA-N 2 2 354.476 0.606 20 0 FCADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001528782861 1266997011 /nfs/dbraw/zinc/99/70/11/1266997011.db2.gz ZQWUPANRBZIZCD-HNNXBMFYSA-N 2 2 363.462 0.218 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001530657070 1267111912 /nfs/dbraw/zinc/11/19/12/1267111912.db2.gz ZNQQBQIBRHMSSR-KFWWJZLASA-N 2 2 365.453 0.531 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001543917882 1267564013 /nfs/dbraw/zinc/56/40/13/1267564013.db2.gz NUCPQNSBEIBSRH-UHFFFAOYSA-N 2 2 373.501 0.769 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCC3(C)OCCO3)[nH+]cn2)C1 ZINC001548436159 1267710288 /nfs/dbraw/zinc/71/02/88/1267710288.db2.gz WZYILXYNEWGQPH-KBPBESRZSA-N 2 2 351.451 0.807 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001549153270 1267831689 /nfs/dbraw/zinc/83/16/89/1267831689.db2.gz MLRLNNMUZZWRPR-GRDNDAEWSA-N 2 2 360.462 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001549153270 1267831703 /nfs/dbraw/zinc/83/17/03/1267831703.db2.gz MLRLNNMUZZWRPR-GRDNDAEWSA-N 2 2 360.462 0.620 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC001549153397 1267831814 /nfs/dbraw/zinc/83/18/14/1267831814.db2.gz OZNGRPUTRPJSHH-WMLDXEAASA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001549153814 1267833071 /nfs/dbraw/zinc/83/30/71/1267833071.db2.gz SCCDTCNVHNSGAM-RLFYNMQTSA-N 2 2 374.489 0.867 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001549157717 1267834743 /nfs/dbraw/zinc/83/47/43/1267834743.db2.gz ZAUAXFKGFYWMPY-QAPCUYQASA-N 2 2 374.489 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001549160000 1267839024 /nfs/dbraw/zinc/83/90/24/1267839024.db2.gz KOMFGAWFTYSHCJ-YXPYIKCWSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001549160000 1267839034 /nfs/dbraw/zinc/83/90/34/1267839034.db2.gz KOMFGAWFTYSHCJ-YXPYIKCWSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001549161834 1267841999 /nfs/dbraw/zinc/84/19/99/1267841999.db2.gz LUVUJZJSUQKWNG-BBRMVZONSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001549176499 1267853689 /nfs/dbraw/zinc/85/36/89/1267853689.db2.gz JVKFNBBEZOUBSV-RLFYNMQTSA-N 2 2 374.489 0.771 20 0 FCADLP CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC001549336326 1267902605 /nfs/dbraw/zinc/90/26/05/1267902605.db2.gz HUSXKXXPBNPTPI-DAYGRLMNSA-N 2 2 374.489 0.960 20 0 FCADLP CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC001549336326 1267902612 /nfs/dbraw/zinc/90/26/12/1267902612.db2.gz HUSXKXXPBNPTPI-DAYGRLMNSA-N 2 2 374.489 0.960 20 0 FCADLP CN(C)C(=O)[C@H]1CC[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC001549880174 1268013794 /nfs/dbraw/zinc/01/37/94/1268013794.db2.gz CGUKHSRSPDIMSX-HUUCEWRRSA-N 2 2 361.446 0.408 20 0 FCADLP C[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894680 1268014530 /nfs/dbraw/zinc/01/45/30/1268014530.db2.gz GUNKHCDNXWVYBK-ROUUACIJSA-N 2 2 356.470 0.636 20 0 FCADLP C[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894680 1268014544 /nfs/dbraw/zinc/01/45/44/1268014544.db2.gz GUNKHCDNXWVYBK-ROUUACIJSA-N 2 2 356.470 0.636 20 0 FCADLP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H](N4CC[NH+](C)CC4)C3)ccn2)CC1 ZINC001550006200 1268043761 /nfs/dbraw/zinc/04/37/61/1268043761.db2.gz ZECIBMZTIHVTLC-SFHVURJKSA-N 2 2 372.517 0.295 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CCOC[C@@H]3[NH3+])C2)c1 ZINC001550283707 1268103544 /nfs/dbraw/zinc/10/35/44/1268103544.db2.gz ZNJLRMHIHHRGBD-SQNIBIBYSA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CCOC[C@@H]3[NH3+])C2)c1 ZINC001550283707 1268103547 /nfs/dbraw/zinc/10/35/47/1268103547.db2.gz ZNJLRMHIHHRGBD-SQNIBIBYSA-N 2 2 362.474 0.611 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC[N@@H+](C2CC2)C1 ZINC001550570611 1268133916 /nfs/dbraw/zinc/13/39/16/1268133916.db2.gz GOQRKSHHFVZDCE-SZMVWBNQSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC[N@H+](C2CC2)C1 ZINC001550570611 1268133918 /nfs/dbraw/zinc/13/39/18/1268133918.db2.gz GOQRKSHHFVZDCE-SZMVWBNQSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C12CCC2 ZINC001550594792 1268139325 /nfs/dbraw/zinc/13/93/25/1268139325.db2.gz BXOQWPYYDBVHJV-WCXIOVBPSA-N 2 2 351.491 0.855 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)C2)cc1 ZINC001550728004 1268157961 /nfs/dbraw/zinc/15/79/61/1268157961.db2.gz XIMJQYKFKNIMFB-AKHDSKFASA-N 2 2 359.470 0.831 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)C2)cc1 ZINC001550728004 1268157967 /nfs/dbraw/zinc/15/79/67/1268157967.db2.gz XIMJQYKFKNIMFB-AKHDSKFASA-N 2 2 359.470 0.831 20 0 FCADLP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC001551586212 1268280138 /nfs/dbraw/zinc/28/01/38/1268280138.db2.gz BYNQXRRMKPNGIR-AEFFLSMTSA-N 2 2 374.489 0.876 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)N(c2cc(N)[nH+]cn2)C1 ZINC001551939019 1268315415 /nfs/dbraw/zinc/31/54/15/1268315415.db2.gz LFVWPCUICHXCNM-BYNSBNAKSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938952 1268318123 /nfs/dbraw/zinc/31/81/23/1268318123.db2.gz KWINLPDGSCTNOQ-KFWWJZLASA-N 2 2 360.462 0.396 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938952 1268318133 /nfs/dbraw/zinc/31/81/33/1268318133.db2.gz KWINLPDGSCTNOQ-KFWWJZLASA-N 2 2 360.462 0.396 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCO[C@@H]1C1CC[NH2+]CC1 ZINC001552077987 1268360769 /nfs/dbraw/zinc/36/07/69/1268360769.db2.gz GRSPGXGXHIRDQK-LAVFITLUSA-N 2 2 366.506 0.648 20 0 FCADLP [NH3+]C[C@@]12CCC[C@H]1CN(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC001552190584 1268406469 /nfs/dbraw/zinc/40/64/69/1268406469.db2.gz DLQBTVBAMNPQBV-MAUKXSAKSA-N 2 2 362.478 0.808 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001340094276 1268432959 /nfs/dbraw/zinc/43/29/59/1268432959.db2.gz PHOYZVJDRLBAKN-SJLPKXTDSA-N 2 2 368.485 0.673 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580501995 1278411852 /nfs/dbraw/zinc/41/18/52/1278411852.db2.gz PBVGVYKNHXHVRF-LLVKDONJSA-N 2 2 354.418 0.735 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1n1ccnn1 ZINC001552601361 1268485212 /nfs/dbraw/zinc/48/52/12/1268485212.db2.gz ZAKNHPRIBKGWPA-HUUCEWRRSA-N 2 2 358.450 0.508 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1n1ccnn1 ZINC001552605825 1268488762 /nfs/dbraw/zinc/48/87/62/1268488762.db2.gz SRYIYEYHGOWIPF-ARFHVFGLSA-N 2 2 370.461 0.449 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001580502212 1278413590 /nfs/dbraw/zinc/41/35/90/1278413590.db2.gz SBOWUQYNGCYQDM-JTQLQIEISA-N 2 2 372.408 0.874 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@H]1n1ccnn1 ZINC001552796952 1268549171 /nfs/dbraw/zinc/54/91/71/1268549171.db2.gz BURYRXPBSNSJKQ-ZWKOTPCHSA-N 2 2 369.473 0.790 20 0 FCADLP O=C(N[C@H]1C[NH2+]CC(F)(F)C1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001552838397 1268556627 /nfs/dbraw/zinc/55/66/27/1268556627.db2.gz MCJBLENUJDUALN-HTQZYQBOSA-N 2 2 350.320 0.477 20 0 FCADLP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC001552835184 1268557071 /nfs/dbraw/zinc/55/70/71/1268557071.db2.gz SIZGVDQRGMDODV-NRFANRHFSA-N 2 2 373.497 0.872 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001553090201 1268589023 /nfs/dbraw/zinc/58/90/23/1268589023.db2.gz NDFANKBKHQZDMV-SQNIBIBYSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001553105645 1268590306 /nfs/dbraw/zinc/59/03/06/1268590306.db2.gz PMLDZRHTEGVAIV-SQNIBIBYSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001553126686 1268594942 /nfs/dbraw/zinc/59/49/42/1268594942.db2.gz GDBOSXVGMAVDKY-IAGOWNOFSA-N 2 2 351.491 0.953 20 0 FCADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553147641 1268598736 /nfs/dbraw/zinc/59/87/36/1268598736.db2.gz DUPNYMCVUKHMRU-ZWKOTPCHSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553147640 1268599153 /nfs/dbraw/zinc/59/91/53/1268599153.db2.gz DUPNYMCVUKHMRU-ROUUACIJSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553165081 1268601306 /nfs/dbraw/zinc/60/13/06/1268601306.db2.gz OHHAAXFCYNIRHS-NZSAHSFTSA-N 2 2 374.485 0.999 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)C2 ZINC001340667422 1268620032 /nfs/dbraw/zinc/62/00/32/1268620032.db2.gz SFLXFQNXYYMYPB-HZPDHXFCSA-N 2 2 372.473 0.592 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)nc[nH+]1 ZINC001553455674 1268654564 /nfs/dbraw/zinc/65/45/64/1268654564.db2.gz BUWJEXHTFLPTKT-LBTNJELSSA-N 2 2 359.478 0.928 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)[nH+]cn1 ZINC001553455674 1268654574 /nfs/dbraw/zinc/65/45/74/1268654574.db2.gz BUWJEXHTFLPTKT-LBTNJELSSA-N 2 2 359.478 0.928 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001553502199 1268659406 /nfs/dbraw/zinc/65/94/06/1268659406.db2.gz LDFJKHLEXHVNQQ-BMFZPTHFSA-N 3 2 371.476 0.841 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001553502199 1268659415 /nfs/dbraw/zinc/65/94/15/1268659415.db2.gz LDFJKHLEXHVNQQ-BMFZPTHFSA-N 3 2 371.476 0.841 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1)[C@H]1CCC[NH2+]1 ZINC001340894020 1268696913 /nfs/dbraw/zinc/69/69/13/1268696913.db2.gz NSDNZKBXSHPNKL-YQQAZPJKSA-N 2 2 359.474 0.552 20 0 FCADLP CN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC001341346561 1268946473 /nfs/dbraw/zinc/94/64/73/1268946473.db2.gz QUQXPFUOPKAXGX-MRXNPFEDSA-N 2 2 350.467 0.773 20 0 FCADLP CN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC001341346561 1268946477 /nfs/dbraw/zinc/94/64/77/1268946477.db2.gz QUQXPFUOPKAXGX-MRXNPFEDSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001341418142 1268984111 /nfs/dbraw/zinc/98/41/11/1268984111.db2.gz POZJMYLHQPAOEQ-XMTFNYHQSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H]1Cn2nc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cc2C[NH2+]1 ZINC001341551763 1269074811 /nfs/dbraw/zinc/07/48/11/1269074811.db2.gz KCUNONOGBIOPEC-HNNXBMFYSA-N 2 2 374.489 0.145 20 0 FCADLP C[C@H]1Cn2nc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cc2C[NH2+]1 ZINC001341551763 1269074823 /nfs/dbraw/zinc/07/48/23/1269074823.db2.gz KCUNONOGBIOPEC-HNNXBMFYSA-N 2 2 374.489 0.145 20 0 FCADLP Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001341578153 1269093719 /nfs/dbraw/zinc/09/37/19/1269093719.db2.gz ABPFOLJRUQIFJU-OAHLLOKOSA-N 2 2 356.430 0.623 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001558680137 1269129831 /nfs/dbraw/zinc/12/98/31/1269129831.db2.gz MZHZDCWORNZLEU-WBVHZDCISA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001558680137 1269129834 /nfs/dbraw/zinc/12/98/34/1269129834.db2.gz MZHZDCWORNZLEU-WBVHZDCISA-N 2 2 361.490 0.941 20 0 FCADLP C[NH2+]C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC001341733906 1269176414 /nfs/dbraw/zinc/17/64/14/1269176414.db2.gz WBHQIWWDJCRHFP-UHFFFAOYSA-N 2 2 360.462 0.104 20 0 FCADLP C[NH2+]C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC001341733906 1269176420 /nfs/dbraw/zinc/17/64/20/1269176420.db2.gz WBHQIWWDJCRHFP-UHFFFAOYSA-N 2 2 360.462 0.104 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC001342133933 1269363970 /nfs/dbraw/zinc/36/39/70/1269363970.db2.gz CFKRPPXXZOACIL-OAHLLOKOSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC001342133933 1269363981 /nfs/dbraw/zinc/36/39/81/1269363981.db2.gz CFKRPPXXZOACIL-OAHLLOKOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342134536 1269365539 /nfs/dbraw/zinc/36/55/39/1269365539.db2.gz HXVRKFRUVGWIMU-HUUCEWRRSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342134536 1269365550 /nfs/dbraw/zinc/36/55/50/1269365550.db2.gz HXVRKFRUVGWIMU-HUUCEWRRSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137754 1269366757 /nfs/dbraw/zinc/36/67/57/1269366757.db2.gz ZWTRBGVPXGJCNF-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137754 1269366763 /nfs/dbraw/zinc/36/67/63/1269366763.db2.gz ZWTRBGVPXGJCNF-OAGGEKHMSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137755 1269367019 /nfs/dbraw/zinc/36/70/19/1269367019.db2.gz ZWTRBGVPXGJCNF-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342137755 1269367025 /nfs/dbraw/zinc/36/70/25/1269367025.db2.gz ZWTRBGVPXGJCNF-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)N(C[C@@H](O)CO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001563842968 1269399116 /nfs/dbraw/zinc/39/91/16/1269399116.db2.gz RCDLJJAUCMYLKF-QGZVFWFLSA-N 2 2 356.511 0.318 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001565925139 1269521040 /nfs/dbraw/zinc/52/10/40/1269521040.db2.gz UZVOLWNINQLIFS-XOKHGSTOSA-N 2 2 360.462 0.695 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001565925139 1269521043 /nfs/dbraw/zinc/52/10/43/1269521043.db2.gz UZVOLWNINQLIFS-XOKHGSTOSA-N 2 2 360.462 0.695 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@@H]1CCNC(=O)CC1 ZINC001567347444 1269691042 /nfs/dbraw/zinc/69/10/42/1269691042.db2.gz CXMNFLFZMAAJEW-ARFHVFGLSA-N 2 2 361.490 0.878 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@@H]1CCNC(=O)CC1 ZINC001567347444 1269691051 /nfs/dbraw/zinc/69/10/51/1269691051.db2.gz CXMNFLFZMAAJEW-ARFHVFGLSA-N 2 2 361.490 0.878 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001572962522 1270417839 /nfs/dbraw/zinc/41/78/39/1270417839.db2.gz SAZWFKRBYMDBPW-CKEIUWERSA-N 2 2 365.478 0.271 20 0 FCADLP O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)C1(O)C[NH2+]C1 ZINC001580613171 1278568670 /nfs/dbraw/zinc/56/86/70/1278568670.db2.gz QDZVJPROZXHRJG-UHFFFAOYSA-N 2 2 356.426 0.757 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001573091590 1270609984 /nfs/dbraw/zinc/60/99/84/1270609984.db2.gz JPHHUPODCJJQJI-BRWVUGGUSA-N 2 2 361.490 0.991 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001573091590 1270609995 /nfs/dbraw/zinc/60/99/95/1270609995.db2.gz JPHHUPODCJJQJI-BRWVUGGUSA-N 2 2 361.490 0.991 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026489 1271005391 /nfs/dbraw/zinc/00/53/91/1271005391.db2.gz BSHALDQSFFGUJU-HZPDHXFCSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026489 1271005397 /nfs/dbraw/zinc/00/53/97/1271005397.db2.gz BSHALDQSFFGUJU-HZPDHXFCSA-N 2 2 372.477 0.721 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001574653884 1271453553 /nfs/dbraw/zinc/45/35/53/1271453553.db2.gz PHHSREFBVAFZHY-CJNGLKHVSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001574653884 1271453559 /nfs/dbraw/zinc/45/35/59/1271453559.db2.gz PHHSREFBVAFZHY-CJNGLKHVSA-N 2 2 373.461 0.182 20 0 FCADLP C[C@@H](CCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCc1c[nH+]cn1C ZINC001574670826 1271471625 /nfs/dbraw/zinc/47/16/25/1271471625.db2.gz DOLWNHSIUCCDPL-LBPRGKRZSA-N 2 2 369.433 0.357 20 0 FCADLP C[C@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCc1c[nH+]cn1C ZINC001574805738 1271546267 /nfs/dbraw/zinc/54/62/67/1271546267.db2.gz YDXQZAQDVFHHHS-GFCCVEGCSA-N 2 2 369.433 0.569 20 0 FCADLP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[NH+]1CCSCC1 ZINC001575047948 1271699455 /nfs/dbraw/zinc/69/94/55/1271699455.db2.gz GJCYHRASOVAMGD-OIISXLGYSA-N 3 2 352.548 0.851 20 0 FCADLP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[NH+]1CCSCC1 ZINC001575047948 1271699462 /nfs/dbraw/zinc/69/94/62/1271699462.db2.gz GJCYHRASOVAMGD-OIISXLGYSA-N 3 2 352.548 0.851 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001575172695 1271763202 /nfs/dbraw/zinc/76/32/02/1271763202.db2.gz OBDJQCVHBVRPFJ-QAPCUYQASA-N 2 2 357.495 0.780 20 0 FCADLP CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001575172695 1271763211 /nfs/dbraw/zinc/76/32/11/1271763211.db2.gz OBDJQCVHBVRPFJ-QAPCUYQASA-N 2 2 357.495 0.780 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)C1 ZINC001575187083 1271775129 /nfs/dbraw/zinc/77/51/29/1271775129.db2.gz OPFWEXIGCQVGED-ROUUACIJSA-N 2 2 355.479 0.813 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)C1 ZINC001575187083 1271775131 /nfs/dbraw/zinc/77/51/31/1271775131.db2.gz OPFWEXIGCQVGED-ROUUACIJSA-N 2 2 355.479 0.813 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cnnn1C1C[NH2+]C1 ZINC001580661370 1278663763 /nfs/dbraw/zinc/66/37/63/1278663763.db2.gz TZNCYIAWMXQCSR-INIZCTEOSA-N 2 2 356.430 0.053 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cnnn1C1C[NH2+]C1 ZINC001580661370 1278663780 /nfs/dbraw/zinc/66/37/80/1278663780.db2.gz TZNCYIAWMXQCSR-INIZCTEOSA-N 2 2 356.430 0.053 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001575419657 1272074270 /nfs/dbraw/zinc/07/42/70/1272074270.db2.gz CSKNAMQUYVWPDP-KRWDZBQOSA-N 2 2 363.510 0.301 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2cn[nH]n2)CC1 ZINC001575419657 1272074276 /nfs/dbraw/zinc/07/42/76/1272074276.db2.gz CSKNAMQUYVWPDP-KRWDZBQOSA-N 2 2 363.510 0.301 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001575419657 1272074291 /nfs/dbraw/zinc/07/42/91/1272074291.db2.gz CSKNAMQUYVWPDP-KRWDZBQOSA-N 2 2 363.510 0.301 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2c[nH]nn2)CC1 ZINC001575419657 1272074303 /nfs/dbraw/zinc/07/43/03/1272074303.db2.gz CSKNAMQUYVWPDP-KRWDZBQOSA-N 2 2 363.510 0.301 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH2+]Cc2cnn[nH]2)CCOCC1 ZINC001575463761 1272135677 /nfs/dbraw/zinc/13/56/77/1272135677.db2.gz FSDLLQHXELNOJT-UHFFFAOYSA-N 2 2 361.450 0.580 20 0 FCADLP C[C@H](C[C@@H](C)[NH2+]Cc1c[nH]nn1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575509475 1272174215 /nfs/dbraw/zinc/17/42/15/1272174215.db2.gz IGPDMJKCLRHHTD-ZIAGYGMSSA-N 2 2 352.483 0.536 20 0 FCADLP C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@H](C)[NH2+]CCc1cn[nH]n1 ZINC001575685268 1272295924 /nfs/dbraw/zinc/29/59/24/1272295924.db2.gz DBXBJMBIKCVMIF-QWHCGFSZSA-N 2 2 361.450 0.728 20 0 FCADLP C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@H](C)[NH2+]CCc1c[nH]nn1 ZINC001575685268 1272295931 /nfs/dbraw/zinc/29/59/31/1272295931.db2.gz DBXBJMBIKCVMIF-QWHCGFSZSA-N 2 2 361.450 0.728 20 0 FCADLP C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H](C)[NH2+]CCc1cn[nH]n1 ZINC001575685263 1272296662 /nfs/dbraw/zinc/29/66/62/1272296662.db2.gz DBXBJMBIKCVMIF-CHWSQXEVSA-N 2 2 361.450 0.728 20 0 FCADLP C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H](C)[NH2+]CCc1c[nH]nn1 ZINC001575685263 1272296664 /nfs/dbraw/zinc/29/66/64/1272296664.db2.gz DBXBJMBIKCVMIF-CHWSQXEVSA-N 2 2 361.450 0.728 20 0 FCADLP CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001575728591 1272395289 /nfs/dbraw/zinc/39/52/89/1272395289.db2.gz KKVZKRBLNRNYFD-HNNXBMFYSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@]1(NC(=O)C[NH+]2CCCC2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575815346 1272469680 /nfs/dbraw/zinc/46/96/80/1272469680.db2.gz YMOYAISPCDTDIJ-KRWDZBQOSA-N 2 2 356.434 0.443 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576019566 1272719768 /nfs/dbraw/zinc/71/97/68/1272719768.db2.gz AAFGHLRVKWSFGK-WFASDCNBSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[C@H]([NH2+]CCc2cn[nH]n2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062105 1272810961 /nfs/dbraw/zinc/81/09/61/1272810961.db2.gz YLMUKKBHAFZOCO-RDJZCZTQSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]nn2)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC001576062105 1272810976 /nfs/dbraw/zinc/81/09/76/1272810976.db2.gz YLMUKKBHAFZOCO-RDJZCZTQSA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC001576201502 1272988644 /nfs/dbraw/zinc/98/86/44/1272988644.db2.gz VRIABHQOUCZJNK-WTTBNOFXSA-N 2 2 354.495 0.633 20 0 FCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576261504 1273052991 /nfs/dbraw/zinc/05/29/91/1273052991.db2.gz KUEZDJHDCXCPIA-BLLLJJGKSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576271576 1273071381 /nfs/dbraw/zinc/07/13/81/1273071381.db2.gz SJJCEWLEQOZCPE-AAEUAGOBSA-N 2 2 372.458 0.761 20 0 FCADLP CCC(=O)N1CC[NH+]([C@H]2CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576421365 1273246959 /nfs/dbraw/zinc/24/69/59/1273246959.db2.gz SKBAMYDEEZNEGE-AWEZNQCLSA-N 2 2 370.461 0.703 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001576506116 1273376090 /nfs/dbraw/zinc/37/60/90/1273376090.db2.gz NZPUFKQAUNEWQM-NFAWXSAZSA-N 2 2 372.477 0.790 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H](C)N(CC)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576507385 1273377744 /nfs/dbraw/zinc/37/77/44/1273377744.db2.gz YRNUDZVCMSRPAX-OCCSQVGLSA-N 2 2 360.466 0.933 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cnn[nH]2)C3)n1 ZINC001576750743 1273623237 /nfs/dbraw/zinc/62/32/37/1273623237.db2.gz SSRKHHBEEMOBEG-DZKIICNBSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cnn[nH]2)C3)n1 ZINC001576750743 1273623247 /nfs/dbraw/zinc/62/32/47/1273623247.db2.gz SSRKHHBEEMOBEG-DZKIICNBSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2c[nH]nn2)C3)n1 ZINC001576750743 1273623251 /nfs/dbraw/zinc/62/32/51/1273623251.db2.gz SSRKHHBEEMOBEG-DZKIICNBSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c[nH]nn2)C3)n1 ZINC001576750743 1273623254 /nfs/dbraw/zinc/62/32/54/1273623254.db2.gz SSRKHHBEEMOBEG-DZKIICNBSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cn[nH]n2)C3)n1 ZINC001576750743 1273623258 /nfs/dbraw/zinc/62/32/58/1273623258.db2.gz SSRKHHBEEMOBEG-DZKIICNBSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cn[nH]n2)C3)n1 ZINC001576750743 1273623262 /nfs/dbraw/zinc/62/32/62/1273623262.db2.gz SSRKHHBEEMOBEG-DZKIICNBSA-N 2 2 372.477 0.346 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCc2c[nH]nn2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695436 /nfs/dbraw/zinc/69/54/36/1273695436.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 2 364.494 0.163 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CCc2c[nH]nn2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695448 /nfs/dbraw/zinc/69/54/48/1273695448.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 2 364.494 0.163 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695457 /nfs/dbraw/zinc/69/54/57/1273695457.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 2 364.494 0.163 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@@H]1O)C1CCCCC1 ZINC001576793954 1273695464 /nfs/dbraw/zinc/69/54/64/1273695464.db2.gz QMPVCFFLKDCSDH-SJORKVTESA-N 2 2 364.494 0.163 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576835296 1273764830 /nfs/dbraw/zinc/76/48/30/1273764830.db2.gz LAVMRKPCXONDRB-CYBMUJFWSA-N 2 2 354.418 0.817 20 0 FCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576835908 1273769084 /nfs/dbraw/zinc/76/90/84/1273769084.db2.gz UOIHFZCARRPJIA-LLVKDONJSA-N 2 2 360.447 0.809 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576836414 1273769918 /nfs/dbraw/zinc/76/99/18/1273769918.db2.gz NPELOIUXQQUWGR-GFCCVEGCSA-N 2 2 369.433 0.275 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861255 1273823615 /nfs/dbraw/zinc/82/36/15/1273823615.db2.gz PNLDHUQCARAEKN-JKSUJKDBSA-N 2 2 364.494 0.302 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCOCC1 ZINC001576861255 1273823620 /nfs/dbraw/zinc/82/36/20/1273823620.db2.gz PNLDHUQCARAEKN-JKSUJKDBSA-N 2 2 364.494 0.302 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001577040298 1274103252 /nfs/dbraw/zinc/10/32/52/1274103252.db2.gz LLUJMUNYEFXXRI-IAGOWNOFSA-N 2 2 364.494 0.283 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001577040298 1274103254 /nfs/dbraw/zinc/10/32/54/1274103254.db2.gz LLUJMUNYEFXXRI-IAGOWNOFSA-N 2 2 364.494 0.283 20 0 FCADLP CCCC(=O)NCC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001577219042 1274256995 /nfs/dbraw/zinc/25/69/95/1274256995.db2.gz VFNDAZDHMSANPD-UHFFFAOYSA-N 2 2 358.450 0.608 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577572458 1274535130 /nfs/dbraw/zinc/53/51/30/1274535130.db2.gz WCVZWPJKIUHBNZ-RLFYNMQTSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577572458 1274535136 /nfs/dbraw/zinc/53/51/36/1274535136.db2.gz WCVZWPJKIUHBNZ-RLFYNMQTSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577572458 1274535143 /nfs/dbraw/zinc/53/51/43/1274535143.db2.gz WCVZWPJKIUHBNZ-RLFYNMQTSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577572458 1274535145 /nfs/dbraw/zinc/53/51/45/1274535145.db2.gz WCVZWPJKIUHBNZ-RLFYNMQTSA-N 2 2 369.473 0.647 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCc3cn[nH]n3)C1)CC2 ZINC001577572403 1274536010 /nfs/dbraw/zinc/53/60/10/1274536010.db2.gz UCIWENDABDUJBN-CVEARBPZSA-N 2 2 371.489 0.943 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCc3c[nH]nn3)C1)CC2 ZINC001577572403 1274536014 /nfs/dbraw/zinc/53/60/14/1274536014.db2.gz UCIWENDABDUJBN-CVEARBPZSA-N 2 2 371.489 0.943 20 0 FCADLP CCCN(CCNC(=O)Cn1c[nH+]cc1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577613362 1274588825 /nfs/dbraw/zinc/58/88/25/1274588825.db2.gz WSKJPVWPZOEDJC-UHFFFAOYSA-N 2 2 369.433 0.799 20 0 FCADLP CCCN(CCNC(=O)[C@@H](CC)[NH+](C)C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577612983 1274589226 /nfs/dbraw/zinc/58/92/26/1274589226.db2.gz NBRRJYRQFXLKLQ-CQSZACIVSA-N 2 2 360.466 0.935 20 0 FCADLP CCN(C)c1nnc(C2CC[NH2+]CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001577658146 1274667795 /nfs/dbraw/zinc/66/77/95/1274667795.db2.gz XSYBVHVXJAVAGL-UHFFFAOYSA-N 2 2 363.510 0.365 20 0 FCADLP CC[NH+](CC)CCCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001577687973 1274741948 /nfs/dbraw/zinc/74/19/48/1274741948.db2.gz WUYLGRQWJBHYHV-GOSISDBHSA-N 2 2 357.495 0.925 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CCCCC[C@H]([NH2+]Cc2cnn[nH]2)C1 ZINC001577873074 1275063080 /nfs/dbraw/zinc/06/30/80/1275063080.db2.gz UVMFZGBFICPQPY-HNNXBMFYSA-N 2 2 350.467 0.388 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577895816 1275107331 /nfs/dbraw/zinc/10/73/31/1275107331.db2.gz OCBBUVHAPCOIHJ-ZDUSSCGKSA-N 2 2 358.450 0.546 20 0 FCADLP CCN(CCNC(=O)Cn1c[nH+]cc1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578045973 1275332857 /nfs/dbraw/zinc/33/28/57/1275332857.db2.gz UUEACNPWRCVCKW-UHFFFAOYSA-N 2 2 369.433 0.718 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001578110113 1275412636 /nfs/dbraw/zinc/41/26/36/1275412636.db2.gz WLXRUILNNFJDCM-UHFFFAOYSA-N 2 2 355.406 0.149 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1C ZINC001578136796 1275436156 /nfs/dbraw/zinc/43/61/56/1275436156.db2.gz VYAIMEKRUDZOCC-UHFFFAOYSA-N 2 2 355.406 0.149 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001578194976 1275486025 /nfs/dbraw/zinc/48/60/25/1275486025.db2.gz SMEAALWOCQDCCE-IUODEOHRSA-N 2 2 358.450 0.687 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001578194976 1275486029 /nfs/dbraw/zinc/48/60/29/1275486029.db2.gz SMEAALWOCQDCCE-IUODEOHRSA-N 2 2 358.450 0.687 20 0 FCADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC001578210219 1275502693 /nfs/dbraw/zinc/50/26/93/1275502693.db2.gz UNAFCNRHQXFMPE-UHFFFAOYSA-N 2 2 359.879 0.655 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001578222520 1275520509 /nfs/dbraw/zinc/52/05/09/1275520509.db2.gz MESRAEDZLMNFOM-UHFFFAOYSA-N 2 2 350.496 0.829 20 0 FCADLP CC[C@@H](C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578418014 1275785509 /nfs/dbraw/zinc/78/55/09/1275785509.db2.gz XENAUKFUSDIXEZ-OCCSQVGLSA-N 2 2 358.450 0.639 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cnc(C[NH3+])nc3)cc2)CC1 ZINC001578533145 1275962916 /nfs/dbraw/zinc/96/29/16/1275962916.db2.gz SENHQCQRSUMTCU-UHFFFAOYSA-N 2 2 354.414 0.575 20 0 FCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578876029 1276405313 /nfs/dbraw/zinc/40/53/13/1276405313.db2.gz JWBUBODEROAGQM-ZDUSSCGKSA-N 2 2 367.417 0.586 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578883236 1276414528 /nfs/dbraw/zinc/41/45/28/1276414528.db2.gz NWWOWDYCMSHHGE-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578883236 1276414532 /nfs/dbraw/zinc/41/45/32/1276414532.db2.gz NWWOWDYCMSHHGE-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP C[NH+](C)C1(C(=O)NC2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCC1 ZINC001578964120 1276508038 /nfs/dbraw/zinc/50/80/38/1276508038.db2.gz IQPWRMYQHBAJKZ-UHFFFAOYSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001578980177 1276540936 /nfs/dbraw/zinc/54/09/36/1276540936.db2.gz CIEHVFFEJJSLIZ-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001578980177 1276540939 /nfs/dbraw/zinc/54/09/39/1276540939.db2.gz CIEHVFFEJJSLIZ-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579008216 1276579440 /nfs/dbraw/zinc/57/94/40/1276579440.db2.gz PFNZUYKGTHWIOK-ZDUSSCGKSA-N 2 2 372.477 0.935 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)CC(C)(C)C ZINC001579008216 1276579445 /nfs/dbraw/zinc/57/94/45/1276579445.db2.gz PFNZUYKGTHWIOK-ZDUSSCGKSA-N 2 2 372.477 0.935 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579007397 1276579575 /nfs/dbraw/zinc/57/95/75/1276579575.db2.gz SZDVUAUMSKXHNG-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001579007397 1276579578 /nfs/dbraw/zinc/57/95/78/1276579578.db2.gz SZDVUAUMSKXHNG-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]CC2)CC1 ZINC001579059679 1276667941 /nfs/dbraw/zinc/66/79/41/1276667941.db2.gz XBDWWECZVDEKPH-QGZVFWFLSA-N 2 2 356.511 0.756 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]CC2)CC1 ZINC001579059677 1276669133 /nfs/dbraw/zinc/66/91/33/1276669133.db2.gz XBDWWECZVDEKPH-KRWDZBQOSA-N 2 2 356.511 0.756 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579100828 1276754587 /nfs/dbraw/zinc/75/45/87/1276754587.db2.gz DMXBKSJPONRSTR-HNNXBMFYSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579100828 1276754592 /nfs/dbraw/zinc/75/45/92/1276754592.db2.gz DMXBKSJPONRSTR-HNNXBMFYSA-N 2 2 366.429 0.796 20 0 FCADLP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001579131954 1276822013 /nfs/dbraw/zinc/82/20/13/1276822013.db2.gz HSUZCMOTPSGQHY-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001579131954 1276822030 /nfs/dbraw/zinc/82/20/30/1276822030.db2.gz HSUZCMOTPSGQHY-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579131954 1276822043 /nfs/dbraw/zinc/82/20/43/1276822043.db2.gz HSUZCMOTPSGQHY-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[NH+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579131954 1276822051 /nfs/dbraw/zinc/82/20/51/1276822051.db2.gz HSUZCMOTPSGQHY-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579134158 1276832146 /nfs/dbraw/zinc/83/21/46/1276832146.db2.gz NFCBVTXCODEPSX-UHFFFAOYSA-N 2 2 372.408 0.862 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579134158 1276832164 /nfs/dbraw/zinc/83/21/64/1276832164.db2.gz NFCBVTXCODEPSX-UHFFFAOYSA-N 2 2 372.408 0.862 20 0 FCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579180303 1276943736 /nfs/dbraw/zinc/94/37/36/1276943736.db2.gz ICXROHOMOZYZKO-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579180303 1276943740 /nfs/dbraw/zinc/94/37/40/1276943740.db2.gz ICXROHOMOZYZKO-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579246085 1277045928 /nfs/dbraw/zinc/04/59/28/1277045928.db2.gz AJRKYLGKUAAHIT-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579246085 1277045931 /nfs/dbraw/zinc/04/59/31/1277045931.db2.gz AJRKYLGKUAAHIT-INIZCTEOSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329649 1277159872 /nfs/dbraw/zinc/15/98/72/1277159872.db2.gz SCUDNHGQDFQACB-AVGNSLFASA-N 2 2 373.486 0.665 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329649 1277159883 /nfs/dbraw/zinc/15/98/83/1277159883.db2.gz SCUDNHGQDFQACB-AVGNSLFASA-N 2 2 373.486 0.665 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329649 1277159884 /nfs/dbraw/zinc/15/98/84/1277159884.db2.gz SCUDNHGQDFQACB-AVGNSLFASA-N 2 2 373.486 0.665 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579329649 1277159885 /nfs/dbraw/zinc/15/98/85/1277159885.db2.gz SCUDNHGQDFQACB-AVGNSLFASA-N 2 2 373.486 0.665 20 0 FCADLP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579333879 1277169358 /nfs/dbraw/zinc/16/93/58/1277169358.db2.gz AGOUQGGMECWCAE-UHFFFAOYSA-N 2 2 363.491 0.818 20 0 FCADLP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579333879 1277169362 /nfs/dbraw/zinc/16/93/62/1277169362.db2.gz AGOUQGGMECWCAE-UHFFFAOYSA-N 2 2 363.491 0.818 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335890 1277176545 /nfs/dbraw/zinc/17/65/45/1277176545.db2.gz WLIPIVYQZJJITI-NWDGAFQWSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335890 1277176549 /nfs/dbraw/zinc/17/65/49/1277176549.db2.gz WLIPIVYQZJJITI-NWDGAFQWSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335890 1277176553 /nfs/dbraw/zinc/17/65/53/1277176553.db2.gz WLIPIVYQZJJITI-NWDGAFQWSA-N 2 2 361.475 0.570 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579335890 1277176559 /nfs/dbraw/zinc/17/65/59/1277176559.db2.gz WLIPIVYQZJJITI-NWDGAFQWSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579340735 1277186411 /nfs/dbraw/zinc/18/64/11/1277186411.db2.gz APVVUXLJIBDZIR-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001579340735 1277186413 /nfs/dbraw/zinc/18/64/13/1277186413.db2.gz APVVUXLJIBDZIR-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579341353 1277189135 /nfs/dbraw/zinc/18/91/35/1277189135.db2.gz JHYHBHGLBTWRNF-INIZCTEOSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001579341353 1277189137 /nfs/dbraw/zinc/18/91/37/1277189137.db2.gz JHYHBHGLBTWRNF-INIZCTEOSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579355730 1277219321 /nfs/dbraw/zinc/21/93/21/1277219321.db2.gz GLVAZFLURFRGKP-INIZCTEOSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001579355730 1277219329 /nfs/dbraw/zinc/21/93/29/1277219329.db2.gz GLVAZFLURFRGKP-INIZCTEOSA-N 2 2 355.446 0.605 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579360866 1277236607 /nfs/dbraw/zinc/23/66/07/1277236607.db2.gz KHNXHQOAJRYNKE-WOSRLPQWSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579360866 1277236612 /nfs/dbraw/zinc/23/66/12/1277236612.db2.gz KHNXHQOAJRYNKE-WOSRLPQWSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579363167 1277241232 /nfs/dbraw/zinc/24/12/32/1277241232.db2.gz WNCJNUCZBQJSIW-BZUAXINKSA-N 2 2 370.461 0.617 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001579363167 1277241237 /nfs/dbraw/zinc/24/12/37/1277241237.db2.gz WNCJNUCZBQJSIW-BZUAXINKSA-N 2 2 370.461 0.617 20 0 FCADLP Cc1cc(NC(=O)CN2CC[NH+](CCC3([NH3+])CCOCC3)CC2)no1 ZINC001579628600 1277681990 /nfs/dbraw/zinc/68/19/90/1277681990.db2.gz RZSXMYKHBGIGKL-UHFFFAOYSA-N 2 2 351.451 0.437 20 0 FCADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001713786711 1287298049 /nfs/dbraw/zinc/29/80/49/1287298049.db2.gz JCSMYGPOCKNFDD-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001713786711 1287298053 /nfs/dbraw/zinc/29/80/53/1287298053.db2.gz JCSMYGPOCKNFDD-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP Cc1nnc([C@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001713807131 1287299647 /nfs/dbraw/zinc/29/96/47/1287299647.db2.gz WEVDXHJTZSIEOX-IJEWVQPXSA-N 2 2 363.510 0.248 20 0 FCADLP Cc1nnc([C@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001713807131 1287299648 /nfs/dbraw/zinc/29/96/48/1287299648.db2.gz WEVDXHJTZSIEOX-IJEWVQPXSA-N 2 2 363.510 0.248 20 0 FCADLP [NH3+]C1CC[NH+](CC(=O)N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC001580190589 1278031986 /nfs/dbraw/zinc/03/19/86/1278031986.db2.gz INCRRTLWGCTJTH-UHFFFAOYSA-N 2 2 359.474 0.360 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001580279753 1278078123 /nfs/dbraw/zinc/07/81/23/1278078123.db2.gz GKCIGEUGGRXGBE-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP CCn1nnc(C)c1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001714428705 1287321979 /nfs/dbraw/zinc/32/19/79/1287321979.db2.gz KPAOECQRNVBVLY-BPLDGKMQSA-N 2 2 359.478 0.986 20 0 FCADLP Cc1cc(N[C@@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989083 1279190229 /nfs/dbraw/zinc/19/02/29/1279190229.db2.gz MKMVUOGAMBXGDK-RYUDHWBXSA-N 2 2 369.433 0.273 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581007873 1279228383 /nfs/dbraw/zinc/22/83/83/1279228383.db2.gz CTQVBDYMHPUOFV-IAQYHMDHSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581011326 1279237714 /nfs/dbraw/zinc/23/77/14/1279237714.db2.gz IMMFESXONSICDT-LBPRGKRZSA-N 2 2 369.433 0.456 20 0 FCADLP Cc1cc(NCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027302 1279261304 /nfs/dbraw/zinc/26/13/04/1279261304.db2.gz PBKQGPPFAXUUEN-ZDUSSCGKSA-N 2 2 369.433 0.710 20 0 FCADLP Cc1cc(NC[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581030702 1279268333 /nfs/dbraw/zinc/26/83/33/1279268333.db2.gz JIRQXCLKRWOUFF-GFCCVEGCSA-N 2 2 355.406 0.195 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001581035689 1279271396 /nfs/dbraw/zinc/27/13/96/1279271396.db2.gz XNPAAYHNGGPICL-GFCCVEGCSA-N 2 2 367.417 0.279 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001603295427 1287349182 /nfs/dbraw/zinc/34/91/82/1287349182.db2.gz WMSIHENLUGROQQ-KRWDZBQOSA-N 2 2 369.473 0.854 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001581201106 1279499687 /nfs/dbraw/zinc/49/96/87/1279499687.db2.gz OSDQAGPDILCYBA-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001581201106 1279499691 /nfs/dbraw/zinc/49/96/91/1279499691.db2.gz OSDQAGPDILCYBA-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001715588157 1287356575 /nfs/dbraw/zinc/35/65/75/1287356575.db2.gz WCUSAOVYJLQPJG-DDTOSNHZSA-N 2 2 369.491 0.008 20 0 FCADLP CC(=O)Nc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001715588157 1287356577 /nfs/dbraw/zinc/35/65/77/1287356577.db2.gz WCUSAOVYJLQPJG-DDTOSNHZSA-N 2 2 369.491 0.008 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337963 1279715078 /nfs/dbraw/zinc/71/50/78/1279715078.db2.gz PJSSMIAMZFYIIC-XHDPSFHLSA-N 2 2 367.417 0.148 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339375 1279719685 /nfs/dbraw/zinc/71/96/85/1279719685.db2.gz DSYSSTBYVDYNDD-VXGBXAGGSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001581342748 1279730553 /nfs/dbraw/zinc/73/05/53/1279730553.db2.gz VGCACMPOKUHRGH-VIKVFOODSA-N 2 2 365.401 0.018 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563244 1280139310 /nfs/dbraw/zinc/13/93/10/1280139310.db2.gz HCMIELQOSPDDBK-NEPJUHHUSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581563785 1280141402 /nfs/dbraw/zinc/14/14/02/1280141402.db2.gz RKOABQNVQNQHMT-ZDUSSCGKSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C(C)C ZINC001581564541 1280143372 /nfs/dbraw/zinc/14/33/72/1280143372.db2.gz ZXTKMIHSRRDLGY-HNNXBMFYSA-N 2 2 369.433 0.441 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001581565510 1280145899 /nfs/dbraw/zinc/14/58/99/1280145899.db2.gz WCJPAOQGVWVESU-BXUZGUMPSA-N 2 2 367.417 0.408 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581565934 1280148991 /nfs/dbraw/zinc/14/89/91/1280148991.db2.gz BRVTWRCHGXSKEC-LBPRGKRZSA-N 2 2 369.433 0.586 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001581815941 1280560289 /nfs/dbraw/zinc/56/02/89/1280560289.db2.gz MLSLHXIFJHCSNU-UHFFFAOYSA-N 2 2 372.458 0.643 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582088656 1281038968 /nfs/dbraw/zinc/03/89/68/1281038968.db2.gz KGWKTKXDORNNHC-GFCCVEGCSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582088656 1281038975 /nfs/dbraw/zinc/03/89/75/1281038975.db2.gz KGWKTKXDORNNHC-GFCCVEGCSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582088657 1281041108 /nfs/dbraw/zinc/04/11/08/1281041108.db2.gz KGWKTKXDORNNHC-LBPRGKRZSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582088657 1281041118 /nfs/dbraw/zinc/04/11/18/1281041118.db2.gz KGWKTKXDORNNHC-LBPRGKRZSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582097471 1281051807 /nfs/dbraw/zinc/05/18/07/1281051807.db2.gz HGCGQEDQMCCFGG-UHFFFAOYSA-N 2 2 369.473 0.997 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582097471 1281051809 /nfs/dbraw/zinc/05/18/09/1281051809.db2.gz HGCGQEDQMCCFGG-UHFFFAOYSA-N 2 2 369.473 0.997 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099348 1281055613 /nfs/dbraw/zinc/05/56/13/1281055613.db2.gz PQUFCNZXSKWRFT-KBPBESRZSA-N 2 2 370.461 0.619 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582169071 1281134239 /nfs/dbraw/zinc/13/42/39/1281134239.db2.gz CALZOGQMXNYZTA-ZDUSSCGKSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582169040 1281134283 /nfs/dbraw/zinc/13/42/83/1281134283.db2.gz APMIQBICKAGYIF-CQSZACIVSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582169225 1281135101 /nfs/dbraw/zinc/13/51/01/1281135101.db2.gz IZAYIVOFBGJUNH-ZDUSSCGKSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582169291 1281135254 /nfs/dbraw/zinc/13/52/54/1281135254.db2.gz LSQZJIHILNSLIE-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582169526 1281136591 /nfs/dbraw/zinc/13/65/91/1281136591.db2.gz WQYKDPBOTITTHZ-JTQLQIEISA-N 2 2 358.431 0.585 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582183872 1281163927 /nfs/dbraw/zinc/16/39/27/1281163927.db2.gz MMZMVDQMQFHAJB-OTVXOJSOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582194982 1281175256 /nfs/dbraw/zinc/17/52/56/1281175256.db2.gz FLVMTWWSAMUDIR-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCC1 ZINC001582196113 1281177343 /nfs/dbraw/zinc/17/73/43/1281177343.db2.gz DHMGUZDAEVMAPN-UHFFFAOYSA-N 2 2 366.429 0.892 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582197079 1281180603 /nfs/dbraw/zinc/18/06/03/1281180603.db2.gz DBRRBDRPLWIJSV-CYBMUJFWSA-N 2 2 367.417 0.491 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001582197940 1281183796 /nfs/dbraw/zinc/18/37/96/1281183796.db2.gz GGLMJHPYULSRRO-QLPKVWCKSA-N 2 2 364.413 0.310 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001582197940 1281183800 /nfs/dbraw/zinc/18/38/00/1281183800.db2.gz GGLMJHPYULSRRO-QLPKVWCKSA-N 2 2 364.413 0.310 20 0 FCADLP C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001718283762 1287491048 /nfs/dbraw/zinc/49/10/48/1287491048.db2.gz FWWGUTWPJGYCFQ-SQWLQELKSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001718283762 1287491053 /nfs/dbraw/zinc/49/10/53/1287491053.db2.gz FWWGUTWPJGYCFQ-SQWLQELKSA-N 2 2 361.490 0.656 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC001582768601 1281991114 /nfs/dbraw/zinc/99/11/14/1281991114.db2.gz KBMWLERJBQFZMH-BZUAXINKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNC(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC001582768601 1281991116 /nfs/dbraw/zinc/99/11/16/1281991116.db2.gz KBMWLERJBQFZMH-BZUAXINKSA-N 2 2 361.490 0.800 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001632255353 1282165884 /nfs/dbraw/zinc/16/58/84/1282165884.db2.gz AMOFUOPDDJOBIQ-LPHOPBHVSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001632255353 1282165891 /nfs/dbraw/zinc/16/58/91/1282165891.db2.gz AMOFUOPDDJOBIQ-LPHOPBHVSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001632255353 1282165895 /nfs/dbraw/zinc/16/58/95/1282165895.db2.gz AMOFUOPDDJOBIQ-LPHOPBHVSA-N 2 2 372.425 0.247 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001632255353 1282165903 /nfs/dbraw/zinc/16/59/03/1282165903.db2.gz AMOFUOPDDJOBIQ-LPHOPBHVSA-N 2 2 372.425 0.247 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cc3c[nH]c[nH+]3)c2)C1 ZINC001585676839 1282238784 /nfs/dbraw/zinc/23/87/84/1282238784.db2.gz RJUGLUVZQCYRPQ-MRXNPFEDSA-N 2 2 355.442 0.966 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cc3c[nH]c[nH+]3)c2)C1 ZINC001585676839 1282238789 /nfs/dbraw/zinc/23/87/89/1282238789.db2.gz RJUGLUVZQCYRPQ-MRXNPFEDSA-N 2 2 355.442 0.966 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001636937291 1282546437 /nfs/dbraw/zinc/54/64/37/1282546437.db2.gz VUMNPKYSLSMVFM-OAHLLOKOSA-N 2 2 360.462 0.799 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590172499 1283271375 /nfs/dbraw/zinc/27/13/75/1283271375.db2.gz ASVXHGPAKPLSDV-WFASDCNBSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590172497 1283271617 /nfs/dbraw/zinc/27/16/17/1283271617.db2.gz ASVXHGPAKPLSDV-IUODEOHRSA-N 2 2 366.429 0.912 20 0 FCADLP C/C=C(/C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001590351342 1283493647 /nfs/dbraw/zinc/49/36/47/1283493647.db2.gz UYCNJYNOIGCYOB-BNNQUZSASA-N 2 2 370.461 0.856 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001590678756 1283730323 /nfs/dbraw/zinc/73/03/23/1283730323.db2.gz ZTAAEJKCYNBMAG-MRXNPFEDSA-N 2 2 360.462 0.775 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001590678756 1283730328 /nfs/dbraw/zinc/73/03/28/1283730328.db2.gz ZTAAEJKCYNBMAG-MRXNPFEDSA-N 2 2 360.462 0.775 20 0 FCADLP C[N@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C1(C[NH3+])CCOCC1 ZINC001591049069 1284106680 /nfs/dbraw/zinc/10/66/80/1284106680.db2.gz WCIVXOHCRLOWME-CYBMUJFWSA-N 2 2 362.434 0.046 20 0 FCADLP C[N@@H+](C[C@@H](O)COc1ccccc1-c1nn[nH]n1)C1(C[NH3+])CCOCC1 ZINC001591049069 1284106686 /nfs/dbraw/zinc/10/66/86/1284106686.db2.gz WCIVXOHCRLOWME-CYBMUJFWSA-N 2 2 362.434 0.046 20 0 FCADLP CN(CCCNC(=O)[C@H]1CCCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591071298 1284132501 /nfs/dbraw/zinc/13/25/01/1284132501.db2.gz UWKMYTPEEIBTNX-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP CN(CCCNC(=O)[C@H]1CCCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001591071298 1284132505 /nfs/dbraw/zinc/13/25/05/1284132505.db2.gz UWKMYTPEEIBTNX-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001591078489 1284147524 /nfs/dbraw/zinc/14/75/24/1284147524.db2.gz IWXCOGURJIFZPF-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175721 1284266220 /nfs/dbraw/zinc/26/62/20/1284266220.db2.gz SOWYHHVQTGIYKM-GJZGRUSLSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175721 1284266232 /nfs/dbraw/zinc/26/62/32/1284266232.db2.gz SOWYHHVQTGIYKM-GJZGRUSLSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175721 1284266241 /nfs/dbraw/zinc/26/62/41/1284266241.db2.gz SOWYHHVQTGIYKM-GJZGRUSLSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175721 1284266251 /nfs/dbraw/zinc/26/62/51/1284266251.db2.gz SOWYHHVQTGIYKM-GJZGRUSLSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175723 1284266819 /nfs/dbraw/zinc/26/68/19/1284266819.db2.gz SOWYHHVQTGIYKM-LSDHHAIUSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175723 1284266829 /nfs/dbraw/zinc/26/68/29/1284266829.db2.gz SOWYHHVQTGIYKM-LSDHHAIUSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175723 1284266842 /nfs/dbraw/zinc/26/68/42/1284266842.db2.gz SOWYHHVQTGIYKM-LSDHHAIUSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001591175723 1284266851 /nfs/dbraw/zinc/26/68/51/1284266851.db2.gz SOWYHHVQTGIYKM-LSDHHAIUSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001591180179 1284280800 /nfs/dbraw/zinc/28/08/00/1284280800.db2.gz GWDLTFUZVUMLBP-UHFFFAOYSA-N 2 2 370.461 0.550 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187507 1284301854 /nfs/dbraw/zinc/30/18/54/1284301854.db2.gz VMEWMIWEQWOSER-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187507 1284301859 /nfs/dbraw/zinc/30/18/59/1284301859.db2.gz VMEWMIWEQWOSER-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187507 1284301869 /nfs/dbraw/zinc/30/18/69/1284301869.db2.gz VMEWMIWEQWOSER-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591187507 1284301875 /nfs/dbraw/zinc/30/18/75/1284301875.db2.gz VMEWMIWEQWOSER-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccncc2-c2nn[nH]n2)CC1 ZINC001591188534 1284306345 /nfs/dbraw/zinc/30/63/45/1284306345.db2.gz CGEYVHAAPYQXKS-MRXNPFEDSA-N 2 2 356.478 0.864 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccncc2-c2nn[nH]n2)CC1 ZINC001591188534 1284306354 /nfs/dbraw/zinc/30/63/54/1284306354.db2.gz CGEYVHAAPYQXKS-MRXNPFEDSA-N 2 2 356.478 0.864 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001591193718 1284313782 /nfs/dbraw/zinc/31/37/82/1284313782.db2.gz UJRQXLVVZNBNJX-UHFFFAOYSA-N 2 2 350.496 0.829 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC001591723502 1284855414 /nfs/dbraw/zinc/85/54/14/1284855414.db2.gz NUENQQTVGIHBLP-AWEZNQCLSA-N 2 2 372.477 0.644 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591723260 1284855722 /nfs/dbraw/zinc/85/57/22/1284855722.db2.gz VQLCAKGZWPOWTK-AWEZNQCLSA-N 2 2 372.477 0.644 20 0 FCADLP Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007971 1285056341 /nfs/dbraw/zinc/05/63/41/1285056341.db2.gz XOADUUBDKRIUPG-LBPRGKRZSA-N 2 2 356.434 0.359 20 0 FCADLP Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007633 1285057064 /nfs/dbraw/zinc/05/70/64/1285057064.db2.gz ALFMXJIWVHJKSO-CQSZACIVSA-N 2 2 370.461 0.703 20 0 FCADLP Cc1cc(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592049088 1285091856 /nfs/dbraw/zinc/09/18/56/1285091856.db2.gz GHLHJMLDCAWJLS-UHFFFAOYSA-N 2 2 363.385 0.710 20 0 FCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592737836 1285655613 /nfs/dbraw/zinc/65/56/13/1285655613.db2.gz PNFDGYTXVMESTR-UHFFFAOYSA-N 2 2 364.413 0.683 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001702419041 1285661424 /nfs/dbraw/zinc/66/14/24/1285661424.db2.gz AIRJGQNQFLMGCA-YFHUEUNASA-N 2 2 373.501 0.925 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001702419041 1285661430 /nfs/dbraw/zinc/66/14/30/1285661430.db2.gz AIRJGQNQFLMGCA-YFHUEUNASA-N 2 2 373.501 0.925 20 0 FCADLP O=C([C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[NH2+]C[C@H]1C(F)F ZINC001592785909 1285710815 /nfs/dbraw/zinc/71/08/15/1285710815.db2.gz BCUFWCHJEGDYME-STQMWFEESA-N 2 2 363.372 0.119 20 0 FCADLP O=C([C@@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21)N1CC[NH2+]C[C@@H]1C(F)F ZINC001592785900 1285712034 /nfs/dbraw/zinc/71/20/34/1285712034.db2.gz BCUFWCHJEGDYME-CHWSQXEVSA-N 2 2 363.372 0.119 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)COc1ccccc1-c1nn[nH]n1 ZINC001593506890 1286186915 /nfs/dbraw/zinc/18/69/15/1286186915.db2.gz YIKPTNFPYVVWBY-QWHCGFSZSA-N 2 2 355.402 0.408 20 0 FCADLP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@@H]1O ZINC001593538072 1286196719 /nfs/dbraw/zinc/19/67/19/1286196719.db2.gz RGXWORPTYZVVCA-OSYLJGHBSA-N 2 2 358.446 0.305 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860397 1287801281 /nfs/dbraw/zinc/80/12/81/1287801281.db2.gz KFMCJNRWNDBMKQ-SLEUVZQESA-N 2 2 354.418 0.145 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860397 1287801285 /nfs/dbraw/zinc/80/12/85/1287801285.db2.gz KFMCJNRWNDBMKQ-SLEUVZQESA-N 2 2 354.418 0.145 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001605688232 1288051777 /nfs/dbraw/zinc/05/17/77/1288051777.db2.gz KGFDCUIRDRYMPZ-UHFFFAOYSA-N 2 2 369.433 0.718 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001719500271 1288153006 /nfs/dbraw/zinc/15/30/06/1288153006.db2.gz UNJGYSHOPGLZQO-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001719500271 1288153009 /nfs/dbraw/zinc/15/30/09/1288153009.db2.gz UNJGYSHOPGLZQO-HYVNUMGLSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@@H+]1C ZINC001721316186 1288329718 /nfs/dbraw/zinc/32/97/18/1288329718.db2.gz HHKZBOQHMFBELY-GDBMZVCRSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(CN(C)C(=O)Cc3[nH]cc[nH+]3)CC2)CC[N@H+]1C ZINC001721316186 1288329724 /nfs/dbraw/zinc/32/97/24/1288329724.db2.gz HHKZBOQHMFBELY-GDBMZVCRSA-N 2 2 361.490 0.989 20 0 FCADLP CCNC(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001732324313 1288580808 /nfs/dbraw/zinc/58/08/08/1288580808.db2.gz GGYOVVMDTNOWKS-HZPDHXFCSA-N 2 2 361.490 0.878 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001736233621 1289212373 /nfs/dbraw/zinc/21/23/73/1289212373.db2.gz QJKLPVMDXLXVMY-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001736233621 1289212379 /nfs/dbraw/zinc/21/23/79/1289212379.db2.gz QJKLPVMDXLXVMY-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)Nc1nncs1 ZINC001691921735 1289342803 /nfs/dbraw/zinc/34/28/03/1289342803.db2.gz NQMBNJYKTXLZNQ-WDEREUQCSA-N 2 2 363.447 0.317 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001692196533 1289426351 /nfs/dbraw/zinc/42/63/51/1289426351.db2.gz GJEPTBQHTBSNML-CABCVRRESA-N 2 2 359.536 0.732 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001692196533 1289426354 /nfs/dbraw/zinc/42/63/54/1289426354.db2.gz GJEPTBQHTBSNML-CABCVRRESA-N 2 2 359.536 0.732 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001692359655 1289451053 /nfs/dbraw/zinc/45/10/53/1289451053.db2.gz XXVMFMKFWBMBMD-QLFBSQMISA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001692359655 1289451060 /nfs/dbraw/zinc/45/10/60/1289451060.db2.gz XXVMFMKFWBMBMD-QLFBSQMISA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001692359655 1289451066 /nfs/dbraw/zinc/45/10/66/1289451066.db2.gz XXVMFMKFWBMBMD-QLFBSQMISA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001692359655 1289451072 /nfs/dbraw/zinc/45/10/72/1289451072.db2.gz XXVMFMKFWBMBMD-QLFBSQMISA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001692396778 1289458320 /nfs/dbraw/zinc/45/83/20/1289458320.db2.gz RJWMPKBAIRFKRJ-ZBFHGGJFSA-N 2 2 364.494 0.164 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001692396778 1289458328 /nfs/dbraw/zinc/45/83/28/1289458328.db2.gz RJWMPKBAIRFKRJ-ZBFHGGJFSA-N 2 2 364.494 0.164 20 0 FCADLP COC[C@H](O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001698703078 1289532878 /nfs/dbraw/zinc/53/28/78/1289532878.db2.gz FRWPKGVWTXHKKY-BRWVUGGUSA-N 2 2 364.490 0.749 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001698751443 1289535148 /nfs/dbraw/zinc/53/51/48/1289535148.db2.gz LACRBPXYANSPAU-NWANDNLSSA-N 2 2 363.462 0.150 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001698751443 1289535154 /nfs/dbraw/zinc/53/51/54/1289535154.db2.gz LACRBPXYANSPAU-NWANDNLSSA-N 2 2 363.462 0.150 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001698845559 1289538115 /nfs/dbraw/zinc/53/81/15/1289538115.db2.gz LBOCOTZKPNBSRU-APHBMKBZSA-N 2 2 359.478 0.869 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCN1CCNC1=O ZINC001698972806 1289541245 /nfs/dbraw/zinc/54/12/45/1289541245.db2.gz UTTXAXYSULYUIN-RBSFLKMASA-N 2 2 362.478 0.279 20 0 FCADLP CN(C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001699758290 1289565292 /nfs/dbraw/zinc/56/52/92/1289565292.db2.gz HEWSWJQONDGPRT-ARFHVFGLSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1CCO ZINC001617187320 1289821204 /nfs/dbraw/zinc/82/12/04/1289821204.db2.gz VTXODWUVURQBDW-YLJYHZDGSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCO ZINC001617187320 1289821218 /nfs/dbraw/zinc/82/12/18/1289821218.db2.gz VTXODWUVURQBDW-YLJYHZDGSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187320 1289821228 /nfs/dbraw/zinc/82/12/28/1289821228.db2.gz VTXODWUVURQBDW-YLJYHZDGSA-N 2 2 361.486 0.539 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC001617187320 1289821240 /nfs/dbraw/zinc/82/12/40/1289821240.db2.gz VTXODWUVURQBDW-YLJYHZDGSA-N 2 2 361.486 0.539 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001702319805 1290038763 /nfs/dbraw/zinc/03/87/63/1290038763.db2.gz APLIBDCQSAWWOX-ARFHVFGLSA-N 2 2 365.478 0.518 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001702319805 1290038773 /nfs/dbraw/zinc/03/87/73/1290038773.db2.gz APLIBDCQSAWWOX-ARFHVFGLSA-N 2 2 365.478 0.518 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001627690094 1290477197 /nfs/dbraw/zinc/47/71/97/1290477197.db2.gz VYHPSQQNLOPQBU-KRWDZBQOSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001627690094 1290477199 /nfs/dbraw/zinc/47/71/99/1290477199.db2.gz VYHPSQQNLOPQBU-KRWDZBQOSA-N 2 2 370.457 0.404 20 0 FCADLP C[N@H+](CCn1cncn1)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001752507428 1290613380 /nfs/dbraw/zinc/61/33/80/1290613380.db2.gz CYZAHHSPGCABJT-ARFHVFGLSA-N 2 2 357.462 0.975 20 0 FCADLP C[N@@H+](CCn1cncn1)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001752507428 1290613388 /nfs/dbraw/zinc/61/33/88/1290613388.db2.gz CYZAHHSPGCABJT-ARFHVFGLSA-N 2 2 357.462 0.975 20 0 FCADLP C[N@H+](CCn1cncn1)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001752507428 1290613395 /nfs/dbraw/zinc/61/33/95/1290613395.db2.gz CYZAHHSPGCABJT-ARFHVFGLSA-N 2 2 357.462 0.975 20 0 FCADLP C[N@@H+](CCn1cncn1)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001752507428 1290613402 /nfs/dbraw/zinc/61/34/02/1290613402.db2.gz CYZAHHSPGCABJT-ARFHVFGLSA-N 2 2 357.462 0.975 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001752746263 1290614650 /nfs/dbraw/zinc/61/46/50/1290614650.db2.gz POOSYBVBJRPGBH-SFFUCWETSA-N 2 2 369.506 0.264 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@@H+]1C ZINC001754882946 1290637262 /nfs/dbraw/zinc/63/72/62/1290637262.db2.gz YMJYCOZESJDQDO-ZIAGYGMSSA-N 2 2 367.494 0.618 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@H+]1C ZINC001754882946 1290637272 /nfs/dbraw/zinc/63/72/72/1290637272.db2.gz YMJYCOZESJDQDO-ZIAGYGMSSA-N 2 2 367.494 0.618 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC001755302449 1290643401 /nfs/dbraw/zinc/64/34/01/1290643401.db2.gz BONWRCNZACUUJQ-BPLDGKMQSA-N 2 2 368.503 0.775 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC001755302449 1290643405 /nfs/dbraw/zinc/64/34/05/1290643405.db2.gz BONWRCNZACUUJQ-BPLDGKMQSA-N 2 2 368.503 0.775 20 0 FCADLP COC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693130 1291041877 /nfs/dbraw/zinc/04/18/77/1291041877.db2.gz NGGCFOYZELLIKA-QFBILLFUSA-N 2 2 362.474 0.450 20 0 FCADLP COC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693130 1291041886 /nfs/dbraw/zinc/04/18/86/1291041886.db2.gz NGGCFOYZELLIKA-QFBILLFUSA-N 2 2 362.474 0.450 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001649432737 1291148562 /nfs/dbraw/zinc/14/85/62/1291148562.db2.gz BEMPYVNMOHVCIP-BMFZPTHFSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001649432737 1291148565 /nfs/dbraw/zinc/14/85/65/1291148565.db2.gz BEMPYVNMOHVCIP-BMFZPTHFSA-N 2 2 361.490 0.956 20 0 FCADLP C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001656449376 1291524438 /nfs/dbraw/zinc/52/44/38/1291524438.db2.gz HBDVDUGOSCOXTN-MZNJEOGPSA-N 2 2 351.516 0.920 20 0 FCADLP Cn1c[nH+]cc1C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC001672218670 1292073462 /nfs/dbraw/zinc/07/34/62/1292073462.db2.gz PCEHLUBQKKSURE-UHFFFAOYSA-N 2 2 369.535 0.567 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc[nH+]c3N)cn2)CC1 ZINC001674882214 1292158215 /nfs/dbraw/zinc/15/82/15/1292158215.db2.gz HHGSKJANKCXQFL-UHFFFAOYSA-N 2 2 355.446 0.810 20 0 FCADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CCC[NH2+]CC(=O)NC(N)=O ZINC001689133508 1294622801 /nfs/dbraw/zinc/62/28/01/1294622801.db2.gz WWNNLNZNMCSTHG-CHWSQXEVSA-N 2 2 364.450 0.144 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001689336268 1294756898 /nfs/dbraw/zinc/75/68/98/1294756898.db2.gz HPURZYOSBYZLDW-PBHICJAKSA-N 2 2 362.518 0.966 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC001689336268 1294756906 /nfs/dbraw/zinc/75/69/06/1294756906.db2.gz HPURZYOSBYZLDW-PBHICJAKSA-N 2 2 362.518 0.966 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001690290202 1294864581 /nfs/dbraw/zinc/86/45/81/1294864581.db2.gz XMFHPSJQSIALTB-KLHDSHLOSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)Cc2ccco2)CC[N@@H+]1C ZINC001690941455 1294894511 /nfs/dbraw/zinc/89/45/11/1294894511.db2.gz DFINHFFEEOKJHW-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)Cc2ccco2)CC[N@H+]1C ZINC001690941455 1294894521 /nfs/dbraw/zinc/89/45/21/1294894521.db2.gz DFINHFFEEOKJHW-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)Cc2ccco2)CC[NH+]1C ZINC001690941455 1294894533 /nfs/dbraw/zinc/89/45/33/1294894533.db2.gz DFINHFFEEOKJHW-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)Cc2ccco2)CC[NH+]1C ZINC001690941455 1294894541 /nfs/dbraw/zinc/89/45/41/1294894541.db2.gz DFINHFFEEOKJHW-GDBMZVCRSA-N 2 2 350.463 0.626 20 0 FCADLP Cc1cc2c(c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n1)C(=O)NC2=O ZINC001164680164 719637301 /nfs/dbraw/zinc/63/73/01/719637301.db2.gz QUWKZQXJYCNULM-UHFFFAOYSA-N 2 2 368.441 0.945 20 0 FCADLP Cc1cc2c(c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n1)C(=O)NC2=O ZINC001164680164 719637310 /nfs/dbraw/zinc/63/73/10/719637310.db2.gz QUWKZQXJYCNULM-UHFFFAOYSA-N 2 2 368.441 0.945 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001164701870 719853523 /nfs/dbraw/zinc/85/35/23/719853523.db2.gz LHLXNZDKZJDIOP-RDTXWAMCSA-N 2 2 361.446 0.313 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(N)[nH+]1)C2 ZINC001164822294 720440539 /nfs/dbraw/zinc/44/05/39/720440539.db2.gz CKSARLOJDGJVPD-OAHLLOKOSA-N 2 2 372.473 0.850 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078056 837614532 /nfs/dbraw/zinc/61/45/32/837614532.db2.gz SVLKZDGGODOKNJ-ZNMIVQPWSA-N 2 2 350.442 0.464 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078056 837614533 /nfs/dbraw/zinc/61/45/33/837614533.db2.gz SVLKZDGGODOKNJ-ZNMIVQPWSA-N 2 2 350.442 0.464 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277169 837642595 /nfs/dbraw/zinc/64/25/95/837642595.db2.gz HWPAPZJZGDKWEH-RDBSUJKOSA-N 2 2 363.491 0.617 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709473 837826630 /nfs/dbraw/zinc/82/66/30/837826630.db2.gz DNTAFCVJKDJCBI-CBBWQLFWSA-N 2 2 350.467 0.096 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709473 837826643 /nfs/dbraw/zinc/82/66/43/837826643.db2.gz DNTAFCVJKDJCBI-CBBWQLFWSA-N 2 2 350.467 0.096 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)n1 ZINC001099341414 844034215 /nfs/dbraw/zinc/03/42/15/844034215.db2.gz DIOLAJYJNNBAHK-IACUBPJLSA-N 2 2 359.396 0.851 20 0 FCADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)n1 ZINC001099341414 844034224 /nfs/dbraw/zinc/03/42/24/844034224.db2.gz DIOLAJYJNNBAHK-IACUBPJLSA-N 2 2 359.396 0.851 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)[nH]1 ZINC001099341903 844035260 /nfs/dbraw/zinc/03/52/60/844035260.db2.gz YXOMAVRSKNWPBN-QJPTWQEYSA-N 2 2 360.384 0.544 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)[nH]1 ZINC001099341903 844035268 /nfs/dbraw/zinc/03/52/68/844035268.db2.gz YXOMAVRSKNWPBN-QJPTWQEYSA-N 2 2 360.384 0.544 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341829 844035575 /nfs/dbraw/zinc/03/55/75/844035575.db2.gz WFSJQLBKQJDIAI-IJLUTSLNSA-N 2 2 360.384 0.246 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341829 844035581 /nfs/dbraw/zinc/03/55/81/844035581.db2.gz WFSJQLBKQJDIAI-IJLUTSLNSA-N 2 2 360.384 0.246 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C(F)(F)F)nn1 ZINC001099343350 844036150 /nfs/dbraw/zinc/03/61/50/844036150.db2.gz KVGSZNWQSFCART-CHWSQXEVSA-N 2 2 360.384 0.390 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000746762787 836197467 /nfs/dbraw/zinc/19/74/67/836197467.db2.gz SRCYRHWIFJHVBR-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000746762787 836197471 /nfs/dbraw/zinc/19/74/71/836197471.db2.gz SRCYRHWIFJHVBR-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317019 844145058 /nfs/dbraw/zinc/14/50/58/844145058.db2.gz CQCWJHLOKCWWKH-AEFFLSMTSA-N 2 2 350.463 0.717 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317019 844145061 /nfs/dbraw/zinc/14/50/61/844145061.db2.gz CQCWJHLOKCWWKH-AEFFLSMTSA-N 2 2 350.463 0.717 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749568610 836371360 /nfs/dbraw/zinc/37/13/60/836371360.db2.gz CUICGCHOJBRDMN-HOTGVXAUSA-N 2 2 374.551 0.667 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486968 844206414 /nfs/dbraw/zinc/20/64/14/844206414.db2.gz HVIMPEJHWWKBET-NUJGCVRESA-N 2 2 350.463 0.451 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486968 844206422 /nfs/dbraw/zinc/20/64/22/844206422.db2.gz HVIMPEJHWWKBET-NUJGCVRESA-N 2 2 350.463 0.451 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CC1 ZINC001076324469 837983304 /nfs/dbraw/zinc/98/33/04/837983304.db2.gz UKMTUZBRJXIFRG-JKSUJKDBSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CC1 ZINC001076324469 837983308 /nfs/dbraw/zinc/98/33/08/837983308.db2.gz UKMTUZBRJXIFRG-JKSUJKDBSA-N 2 2 357.520 0.296 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001076461946 838004984 /nfs/dbraw/zinc/00/49/84/838004984.db2.gz CGFJOSRYWNALGH-NWANDNLSSA-N 2 2 354.401 0.920 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001076461946 838004997 /nfs/dbraw/zinc/00/49/97/838004997.db2.gz CGFJOSRYWNALGH-NWANDNLSSA-N 2 2 354.401 0.920 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805305 838112320 /nfs/dbraw/zinc/11/23/20/838112320.db2.gz BBMMCXVMQDFFPL-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805305 838112324 /nfs/dbraw/zinc/11/23/24/838112324.db2.gz BBMMCXVMQDFFPL-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805305 838112328 /nfs/dbraw/zinc/11/23/28/838112328.db2.gz BBMMCXVMQDFFPL-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001076805305 838112331 /nfs/dbraw/zinc/11/23/31/838112331.db2.gz BBMMCXVMQDFFPL-BRWVUGGUSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805779 838113577 /nfs/dbraw/zinc/11/35/77/838113577.db2.gz UVZWKAQNRQQNQI-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805779 838113579 /nfs/dbraw/zinc/11/35/79/838113579.db2.gz UVZWKAQNRQQNQI-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805779 838113585 /nfs/dbraw/zinc/11/35/85/838113585.db2.gz UVZWKAQNRQQNQI-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001076805779 838113590 /nfs/dbraw/zinc/11/35/90/838113590.db2.gz UVZWKAQNRQQNQI-IXDOHACOSA-N 2 2 351.422 0.460 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001077023585 838223648 /nfs/dbraw/zinc/22/36/48/838223648.db2.gz IOXVGFFEZLJSON-NMFUWQPSSA-N 2 2 355.870 0.038 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)CC[N@H+]1C ZINC001077023585 838223657 /nfs/dbraw/zinc/22/36/57/838223657.db2.gz IOXVGFFEZLJSON-NMFUWQPSSA-N 2 2 355.870 0.038 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC[NH+]1C ZINC001077023585 838223662 /nfs/dbraw/zinc/22/36/62/838223662.db2.gz IOXVGFFEZLJSON-NMFUWQPSSA-N 2 2 355.870 0.038 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC[NH+]1C ZINC001077023585 838223669 /nfs/dbraw/zinc/22/36/69/838223669.db2.gz IOXVGFFEZLJSON-NMFUWQPSSA-N 2 2 355.870 0.038 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077026873 838224797 /nfs/dbraw/zinc/22/47/97/838224797.db2.gz ORXAAOVSJOYAKV-RKTXRCNFSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077026873 838224807 /nfs/dbraw/zinc/22/48/07/838224807.db2.gz ORXAAOVSJOYAKV-RKTXRCNFSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077026873 838224817 /nfs/dbraw/zinc/22/48/17/838224817.db2.gz ORXAAOVSJOYAKV-RKTXRCNFSA-N 2 2 350.463 0.629 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077026873 838224830 /nfs/dbraw/zinc/22/48/30/838224830.db2.gz ORXAAOVSJOYAKV-RKTXRCNFSA-N 2 2 350.463 0.629 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001077092370 838726120 /nfs/dbraw/zinc/72/61/20/838726120.db2.gz QMQBHLSOVOQUCQ-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1O ZINC001077092370 838726128 /nfs/dbraw/zinc/72/61/28/838726128.db2.gz QMQBHLSOVOQUCQ-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001077092370 838726133 /nfs/dbraw/zinc/72/61/33/838726133.db2.gz QMQBHLSOVOQUCQ-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001077092370 838726142 /nfs/dbraw/zinc/72/61/42/838726142.db2.gz QMQBHLSOVOQUCQ-RBSFLKMASA-N 2 2 352.504 0.987 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030841 844390305 /nfs/dbraw/zinc/39/03/05/844390305.db2.gz GMWUGEPYVDAOTQ-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102030841 844390311 /nfs/dbraw/zinc/39/03/11/844390311.db2.gz GMWUGEPYVDAOTQ-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553911 839029890 /nfs/dbraw/zinc/02/98/90/839029890.db2.gz TYSXGMFOXVIFKN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553911 839029901 /nfs/dbraw/zinc/02/99/01/839029901.db2.gz TYSXGMFOXVIFKN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553911 839029906 /nfs/dbraw/zinc/02/99/06/839029906.db2.gz TYSXGMFOXVIFKN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2O)C1 ZINC001077553911 839029911 /nfs/dbraw/zinc/02/99/11/839029911.db2.gz TYSXGMFOXVIFKN-USXIJHARSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)s1 ZINC001077565791 839038265 /nfs/dbraw/zinc/03/82/65/839038265.db2.gz YYZMEWRTMPXGGI-DDUYRFODSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)s1 ZINC001077565791 839038278 /nfs/dbraw/zinc/03/82/78/839038278.db2.gz YYZMEWRTMPXGGI-DDUYRFODSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)s1 ZINC001077565791 839038293 /nfs/dbraw/zinc/03/82/93/839038293.db2.gz YYZMEWRTMPXGGI-DDUYRFODSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)s1 ZINC001077565791 839038310 /nfs/dbraw/zinc/03/83/10/839038310.db2.gz YYZMEWRTMPXGGI-DDUYRFODSA-N 2 2 352.504 0.843 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566658 839041700 /nfs/dbraw/zinc/04/17/00/839041700.db2.gz JHLYHXJLATUYCG-BZUAXINKSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566658 839041711 /nfs/dbraw/zinc/04/17/11/839041711.db2.gz JHLYHXJLATUYCG-BZUAXINKSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566658 839041722 /nfs/dbraw/zinc/04/17/22/839041722.db2.gz JHLYHXJLATUYCG-BZUAXINKSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O)C1 ZINC001077566658 839041733 /nfs/dbraw/zinc/04/17/33/839041733.db2.gz JHLYHXJLATUYCG-BZUAXINKSA-N 2 2 353.488 0.519 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077582800 839054617 /nfs/dbraw/zinc/05/46/17/839054617.db2.gz SYFGNFQTCIOTIT-BZUAXINKSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077582800 839054631 /nfs/dbraw/zinc/05/46/31/839054631.db2.gz SYFGNFQTCIOTIT-BZUAXINKSA-N 2 2 351.447 0.685 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675416 839102346 /nfs/dbraw/zinc/10/23/46/839102346.db2.gz MXFWLXPRGANHJG-APHBMKBZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675416 839102352 /nfs/dbraw/zinc/10/23/52/839102352.db2.gz MXFWLXPRGANHJG-APHBMKBZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675416 839102357 /nfs/dbraw/zinc/10/23/57/839102357.db2.gz MXFWLXPRGANHJG-APHBMKBZSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675416 839102364 /nfs/dbraw/zinc/10/23/64/839102364.db2.gz MXFWLXPRGANHJG-APHBMKBZSA-N 2 2 350.463 0.691 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nc(COC)no2)C[C@H]1C)[NH+](C)C ZINC001102087106 844408788 /nfs/dbraw/zinc/40/87/88/844408788.db2.gz LUROHLRMMPOAQD-MGPQQGTHSA-N 2 2 353.467 0.740 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nc(COC)no2)C[C@H]1C)[NH+](C)C ZINC001102087106 844408791 /nfs/dbraw/zinc/40/87/91/844408791.db2.gz LUROHLRMMPOAQD-MGPQQGTHSA-N 2 2 353.467 0.740 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077924178 839234450 /nfs/dbraw/zinc/23/44/50/839234450.db2.gz WQEOEBRASYFIQG-HZPDHXFCSA-N 2 2 350.463 0.765 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077924178 839234456 /nfs/dbraw/zinc/23/44/56/839234456.db2.gz WQEOEBRASYFIQG-HZPDHXFCSA-N 2 2 350.463 0.765 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001078009673 839292484 /nfs/dbraw/zinc/29/24/84/839292484.db2.gz MVULVSXFMGGXEO-BPLDGKMQSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1O ZINC001078009673 839292492 /nfs/dbraw/zinc/29/24/92/839292492.db2.gz MVULVSXFMGGXEO-BPLDGKMQSA-N 2 2 356.417 0.949 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O ZINC001078180240 839384618 /nfs/dbraw/zinc/38/46/18/839384618.db2.gz SREBZLRCXAQKHR-HZPDHXFCSA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O ZINC001078180240 839384628 /nfs/dbraw/zinc/38/46/28/839384628.db2.gz SREBZLRCXAQKHR-HZPDHXFCSA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001078180047 839384856 /nfs/dbraw/zinc/38/48/56/839384856.db2.gz KQBCFWJUSSAMPH-IAGOWNOFSA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001078180047 839384871 /nfs/dbraw/zinc/38/48/71/839384871.db2.gz KQBCFWJUSSAMPH-IAGOWNOFSA-N 2 2 351.422 0.462 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001079526572 839540579 /nfs/dbraw/zinc/54/05/79/839540579.db2.gz OVBCMRZOTXBHPR-BPLDGKMQSA-N 2 2 351.451 0.078 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001079526572 839540584 /nfs/dbraw/zinc/54/05/84/839540584.db2.gz OVBCMRZOTXBHPR-BPLDGKMQSA-N 2 2 351.451 0.078 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001079526572 839540589 /nfs/dbraw/zinc/54/05/89/839540589.db2.gz OVBCMRZOTXBHPR-BPLDGKMQSA-N 2 2 351.451 0.078 20 0 FCADLP Cc1noc(CCC[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001079526572 839540594 /nfs/dbraw/zinc/54/05/94/839540594.db2.gz OVBCMRZOTXBHPR-BPLDGKMQSA-N 2 2 351.451 0.078 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789765 839591413 /nfs/dbraw/zinc/59/14/13/839591413.db2.gz WGQVCVUNAFAPDB-MRVWCRGKSA-N 2 2 350.488 0.748 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789765 839591428 /nfs/dbraw/zinc/59/14/28/839591428.db2.gz WGQVCVUNAFAPDB-MRVWCRGKSA-N 2 2 350.488 0.748 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789813 839591580 /nfs/dbraw/zinc/59/15/80/839591580.db2.gz YDXLUPVDDALCRP-TZMCWYRMSA-N 2 2 352.504 0.948 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789813 839591585 /nfs/dbraw/zinc/59/15/85/839591585.db2.gz YDXLUPVDDALCRP-TZMCWYRMSA-N 2 2 352.504 0.948 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)on1 ZINC001102314350 844464618 /nfs/dbraw/zinc/46/46/18/844464618.db2.gz CRIGWVTZXOMZAK-TZMCWYRMSA-N 2 2 351.451 0.557 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)on1 ZINC001102314350 844464623 /nfs/dbraw/zinc/46/46/23/844464623.db2.gz CRIGWVTZXOMZAK-TZMCWYRMSA-N 2 2 351.451 0.557 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314528 844465170 /nfs/dbraw/zinc/46/51/70/844465170.db2.gz NPFZCAODSQWIIG-CHWSQXEVSA-N 2 2 353.492 0.717 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314528 844465176 /nfs/dbraw/zinc/46/51/76/844465176.db2.gz NPFZCAODSQWIIG-CHWSQXEVSA-N 2 2 353.492 0.717 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1C)[NH+](C)C ZINC001102377678 844480597 /nfs/dbraw/zinc/48/05/97/844480597.db2.gz BVYBMFKALGPNGV-UPJWGTAASA-N 2 2 368.507 0.501 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1C)[NH+](C)C ZINC001102377678 844480600 /nfs/dbraw/zinc/48/06/00/844480600.db2.gz BVYBMFKALGPNGV-UPJWGTAASA-N 2 2 368.507 0.501 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001102383873 844482409 /nfs/dbraw/zinc/48/24/09/844482409.db2.gz XGBNEPKGZSIQFE-KLHDSHLOSA-N 2 2 350.463 0.217 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001102383873 844482410 /nfs/dbraw/zinc/48/24/10/844482410.db2.gz XGBNEPKGZSIQFE-KLHDSHLOSA-N 2 2 350.463 0.217 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445829 839933066 /nfs/dbraw/zinc/93/30/66/839933066.db2.gz CMNQIMIPPNOJDX-BFYDXBDKSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445829 839933076 /nfs/dbraw/zinc/93/30/76/839933076.db2.gz CMNQIMIPPNOJDX-BFYDXBDKSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081445829 839933080 /nfs/dbraw/zinc/93/30/80/839933080.db2.gz CMNQIMIPPNOJDX-BFYDXBDKSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081445829 839933090 /nfs/dbraw/zinc/93/30/90/839933090.db2.gz CMNQIMIPPNOJDX-BFYDXBDKSA-N 2 2 350.463 0.955 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102408107 844488249 /nfs/dbraw/zinc/48/82/49/844488249.db2.gz ZLOXIPWNJHZLAY-TZMCWYRMSA-N 2 2 363.487 0.868 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102408107 844488253 /nfs/dbraw/zinc/48/82/53/844488253.db2.gz ZLOXIPWNJHZLAY-TZMCWYRMSA-N 2 2 363.487 0.868 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686002 840000255 /nfs/dbraw/zinc/00/02/55/840000255.db2.gz BAFVBLKPBJAWOS-NUEKZKHPSA-N 2 2 355.458 0.622 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686002 840000261 /nfs/dbraw/zinc/00/02/61/840000261.db2.gz BAFVBLKPBJAWOS-NUEKZKHPSA-N 2 2 355.458 0.622 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880126 840080867 /nfs/dbraw/zinc/08/08/67/840080867.db2.gz LHOBNTHQOBNAGG-APHBMKBZSA-N 2 2 352.435 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880126 840080877 /nfs/dbraw/zinc/08/08/77/840080877.db2.gz LHOBNTHQOBNAGG-APHBMKBZSA-N 2 2 352.435 0.202 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082134979 840203676 /nfs/dbraw/zinc/20/36/76/840203676.db2.gz KHDOXXHVXRXDTQ-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082134979 840203689 /nfs/dbraw/zinc/20/36/89/840203689.db2.gz KHDOXXHVXRXDTQ-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082134979 840203698 /nfs/dbraw/zinc/20/36/98/840203698.db2.gz KHDOXXHVXRXDTQ-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082134979 840203706 /nfs/dbraw/zinc/20/37/06/840203706.db2.gz KHDOXXHVXRXDTQ-KBRIMQKVSA-N 2 2 350.463 0.894 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137980 840206261 /nfs/dbraw/zinc/20/62/61/840206261.db2.gz KECOSKMHERBFMK-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137980 840206275 /nfs/dbraw/zinc/20/62/75/840206275.db2.gz KECOSKMHERBFMK-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137980 840206290 /nfs/dbraw/zinc/20/62/90/840206290.db2.gz KECOSKMHERBFMK-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137980 840206304 /nfs/dbraw/zinc/20/63/04/840206304.db2.gz KECOSKMHERBFMK-RBSFLKMASA-N 2 2 354.495 0.010 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(COC)no2)C[C@H]1C ZINC001102473601 844514315 /nfs/dbraw/zinc/51/43/15/844514315.db2.gz IFCRRVVOSHQABD-ZIAGYGMSSA-N 2 2 353.467 0.742 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(COC)no2)C[C@H]1C ZINC001102473601 844514322 /nfs/dbraw/zinc/51/43/22/844514322.db2.gz IFCRRVVOSHQABD-ZIAGYGMSSA-N 2 2 353.467 0.742 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482945 844520729 /nfs/dbraw/zinc/52/07/29/844520729.db2.gz PWKOWTHOAZSSKS-UKRRQHHQSA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482945 844520734 /nfs/dbraw/zinc/52/07/34/844520734.db2.gz PWKOWTHOAZSSKS-UKRRQHHQSA-N 2 2 368.503 0.461 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345808 840328718 /nfs/dbraw/zinc/32/87/18/840328718.db2.gz CDVIXHUYJLCPAI-IAGOWNOFSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345808 840328730 /nfs/dbraw/zinc/32/87/30/840328730.db2.gz CDVIXHUYJLCPAI-IAGOWNOFSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371390 840359244 /nfs/dbraw/zinc/35/92/44/840359244.db2.gz GRDSTLRXJJSZSC-MGPQQGTHSA-N 2 2 358.389 0.431 20 0 FCADLP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371390 840359255 /nfs/dbraw/zinc/35/92/55/840359255.db2.gz GRDSTLRXJJSZSC-MGPQQGTHSA-N 2 2 358.389 0.431 20 0 FCADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457928 840420498 /nfs/dbraw/zinc/42/04/98/840420498.db2.gz NRFVOLSTZAAUFS-CSMYWGQOSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457928 840420506 /nfs/dbraw/zinc/42/05/06/840420506.db2.gz NRFVOLSTZAAUFS-CSMYWGQOSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082458267 840420757 /nfs/dbraw/zinc/42/07/57/840420757.db2.gz FDKMVHQIAOPSRV-UPJWGTAASA-N 2 2 355.870 0.341 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC001082458267 840420760 /nfs/dbraw/zinc/42/07/60/840420760.db2.gz FDKMVHQIAOPSRV-UPJWGTAASA-N 2 2 355.870 0.341 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082559437 840465407 /nfs/dbraw/zinc/46/54/07/840465407.db2.gz FLQFCACNZPSKPO-UXIGCNINSA-N 2 2 350.467 0.412 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590463 840478725 /nfs/dbraw/zinc/47/87/25/840478725.db2.gz XUWOUVQJAVSZBQ-QHSBEEBCSA-N 2 2 368.503 0.807 20 0 FCADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590463 840478732 /nfs/dbraw/zinc/47/87/32/840478732.db2.gz XUWOUVQJAVSZBQ-QHSBEEBCSA-N 2 2 368.503 0.807 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590414 840478924 /nfs/dbraw/zinc/47/89/24/840478924.db2.gz VOFNGIBHFDNFPV-RRCSTGOVSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590414 840478928 /nfs/dbraw/zinc/47/89/28/840478928.db2.gz VOFNGIBHFDNFPV-RRCSTGOVSA-N 2 2 350.463 0.893 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082663932 840514996 /nfs/dbraw/zinc/51/49/96/840514996.db2.gz NDUKWRLQUZTRGQ-BMFZPTHFSA-N 2 2 367.519 0.976 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082663932 840515003 /nfs/dbraw/zinc/51/50/03/840515003.db2.gz NDUKWRLQUZTRGQ-BMFZPTHFSA-N 2 2 367.519 0.976 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082663933 840515847 /nfs/dbraw/zinc/51/58/47/840515847.db2.gz NDUKWRLQUZTRGQ-FVQBIDKESA-N 2 2 367.519 0.976 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC001082663933 840515859 /nfs/dbraw/zinc/51/58/59/840515859.db2.gz NDUKWRLQUZTRGQ-FVQBIDKESA-N 2 2 367.519 0.976 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082673391 840520813 /nfs/dbraw/zinc/52/08/13/840520813.db2.gz LJDNNMIUIJWAQN-OWCLPIDISA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082861249 840587130 /nfs/dbraw/zinc/58/71/30/840587130.db2.gz RLIODSOHUKCJHR-IJEWVQPXSA-N 2 2 368.503 0.224 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC001082921817 840603220 /nfs/dbraw/zinc/60/32/20/840603220.db2.gz LSLZDZMHEHGZKX-MGPQQGTHSA-N 2 2 351.451 0.809 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923403 840603865 /nfs/dbraw/zinc/60/38/65/840603865.db2.gz IPVQRQHBGBKXOC-DVOMOZLQSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)C1 ZINC001082933789 840613069 /nfs/dbraw/zinc/61/30/69/840613069.db2.gz JNELYILYGCNXEM-MGPQQGTHSA-N 2 2 369.897 0.731 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(Cl)n3C)C2)C1 ZINC001082933789 840613071 /nfs/dbraw/zinc/61/30/71/840613071.db2.gz JNELYILYGCNXEM-MGPQQGTHSA-N 2 2 369.897 0.731 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)o1 ZINC001082933802 840613199 /nfs/dbraw/zinc/61/31/99/840613199.db2.gz KCRDRIOUOJLWLW-BMFZPTHFSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)o1 ZINC001082933802 840613202 /nfs/dbraw/zinc/61/32/02/840613202.db2.gz KCRDRIOUOJLWLW-BMFZPTHFSA-N 2 2 350.463 0.894 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082958028 840620586 /nfs/dbraw/zinc/62/05/86/840620586.db2.gz VYOBDPJWQVFBHI-TZMCWYRMSA-N 2 2 366.443 0.516 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083126848 840734117 /nfs/dbraw/zinc/73/41/17/840734117.db2.gz NMCXMDNRNDNKCL-VBNZEHGJSA-N 2 2 352.435 0.296 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@H]2C1 ZINC001083126848 840734126 /nfs/dbraw/zinc/73/41/26/840734126.db2.gz NMCXMDNRNDNKCL-VBNZEHGJSA-N 2 2 352.435 0.296 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001083144185 840750194 /nfs/dbraw/zinc/75/01/94/840750194.db2.gz SYMSBOVJHLICBQ-JKSUJKDBSA-N 2 2 361.471 0.802 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001083144185 840750208 /nfs/dbraw/zinc/75/02/08/840750208.db2.gz SYMSBOVJHLICBQ-JKSUJKDBSA-N 2 2 361.471 0.802 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234969 840819803 /nfs/dbraw/zinc/81/98/03/840819803.db2.gz GIOWBHBEPIZHRZ-HYVNUMGLSA-N 2 2 357.470 0.757 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234969 840819815 /nfs/dbraw/zinc/81/98/15/840819815.db2.gz GIOWBHBEPIZHRZ-HYVNUMGLSA-N 2 2 357.470 0.757 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595263 844586052 /nfs/dbraw/zinc/58/60/52/844586052.db2.gz DTEQEVMOVATNMP-UMVBOHGHSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595263 844586057 /nfs/dbraw/zinc/58/60/57/844586057.db2.gz DTEQEVMOVATNMP-UMVBOHGHSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595263 844586064 /nfs/dbraw/zinc/58/60/64/844586064.db2.gz DTEQEVMOVATNMP-UMVBOHGHSA-N 2 2 364.515 0.664 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595263 844586070 /nfs/dbraw/zinc/58/60/70/844586070.db2.gz DTEQEVMOVATNMP-UMVBOHGHSA-N 2 2 364.515 0.664 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372700 840943167 /nfs/dbraw/zinc/94/31/67/840943167.db2.gz BBMMCXVMQDFFPL-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372700 840943170 /nfs/dbraw/zinc/94/31/70/840943170.db2.gz BBMMCXVMQDFFPL-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372700 840943177 /nfs/dbraw/zinc/94/31/77/840943177.db2.gz BBMMCXVMQDFFPL-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083372700 840943178 /nfs/dbraw/zinc/94/31/78/840943178.db2.gz BBMMCXVMQDFFPL-IKGGRYGDSA-N 2 2 351.422 0.460 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385266 840955836 /nfs/dbraw/zinc/95/58/36/840955836.db2.gz IYURGIGHUGSYAU-ILXRZTDVSA-N 2 2 361.433 0.304 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385266 840955841 /nfs/dbraw/zinc/95/58/41/840955841.db2.gz IYURGIGHUGSYAU-ILXRZTDVSA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385266 840955847 /nfs/dbraw/zinc/95/58/47/840955847.db2.gz IYURGIGHUGSYAU-ILXRZTDVSA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385266 840955851 /nfs/dbraw/zinc/95/58/51/840955851.db2.gz IYURGIGHUGSYAU-ILXRZTDVSA-N 2 2 361.433 0.304 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001083384980 840956302 /nfs/dbraw/zinc/95/63/02/840956302.db2.gz AJSRPNWUCRAGFW-PMPSAXMXSA-N 2 2 353.488 0.173 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001083384980 840956307 /nfs/dbraw/zinc/95/63/07/840956307.db2.gz AJSRPNWUCRAGFW-PMPSAXMXSA-N 2 2 353.488 0.173 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001083384980 840956314 /nfs/dbraw/zinc/95/63/14/840956314.db2.gz AJSRPNWUCRAGFW-PMPSAXMXSA-N 2 2 353.488 0.173 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]2O)C1 ZINC001083384980 840956320 /nfs/dbraw/zinc/95/63/20/840956320.db2.gz AJSRPNWUCRAGFW-PMPSAXMXSA-N 2 2 353.488 0.173 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O)n1 ZINC001083470328 841042886 /nfs/dbraw/zinc/04/28/86/841042886.db2.gz LTTJFNRMIKXLOG-CVEARBPZSA-N 2 2 363.487 0.481 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O)n1 ZINC001083470328 841042891 /nfs/dbraw/zinc/04/28/91/841042891.db2.gz LTTJFNRMIKXLOG-CVEARBPZSA-N 2 2 363.487 0.481 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613717 844602492 /nfs/dbraw/zinc/60/24/92/844602492.db2.gz RAHKIBFDDPFHBU-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613717 844602496 /nfs/dbraw/zinc/60/24/96/844602496.db2.gz RAHKIBFDDPFHBU-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616574 844604680 /nfs/dbraw/zinc/60/46/80/844604680.db2.gz HPAVIDMGNXEWQA-GDBMZVCRSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616574 844604687 /nfs/dbraw/zinc/60/46/87/844604687.db2.gz HPAVIDMGNXEWQA-GDBMZVCRSA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616748 844605056 /nfs/dbraw/zinc/60/50/56/844605056.db2.gz QCERLZFKLDRKDA-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616748 844605062 /nfs/dbraw/zinc/60/50/62/844605062.db2.gz QCERLZFKLDRKDA-OWCLPIDISA-N 2 2 368.503 0.392 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518896 841114726 /nfs/dbraw/zinc/11/47/26/841114726.db2.gz VWBOINLUAAXNMF-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518896 841114732 /nfs/dbraw/zinc/11/47/32/841114732.db2.gz VWBOINLUAAXNMF-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518896 841114736 /nfs/dbraw/zinc/11/47/36/841114736.db2.gz VWBOINLUAAXNMF-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518896 841114740 /nfs/dbraw/zinc/11/47/40/841114740.db2.gz VWBOINLUAAXNMF-OIISXLGYSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)s1 ZINC001083560080 841170792 /nfs/dbraw/zinc/17/07/92/841170792.db2.gz PNRMCALRLCOJNG-CVEARBPZSA-N 2 2 364.515 0.989 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)s1 ZINC001083560080 841170797 /nfs/dbraw/zinc/17/07/97/841170797.db2.gz PNRMCALRLCOJNG-CVEARBPZSA-N 2 2 364.515 0.989 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573640 841187147 /nfs/dbraw/zinc/18/71/47/841187147.db2.gz PXNGXXCWHLFVGS-ILXRZTDVSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573640 841187151 /nfs/dbraw/zinc/18/71/51/841187151.db2.gz PXNGXXCWHLFVGS-ILXRZTDVSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573640 841187156 /nfs/dbraw/zinc/18/71/56/841187156.db2.gz PXNGXXCWHLFVGS-ILXRZTDVSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573640 841187162 /nfs/dbraw/zinc/18/71/62/841187162.db2.gz PXNGXXCWHLFVGS-ILXRZTDVSA-N 2 2 352.504 0.640 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083581850 841196492 /nfs/dbraw/zinc/19/64/92/841196492.db2.gz MNMVVRWXGLDDPI-MCIONIFRSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001083581850 841196498 /nfs/dbraw/zinc/19/64/98/841196498.db2.gz MNMVVRWXGLDDPI-MCIONIFRSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583366 841199057 /nfs/dbraw/zinc/19/90/57/841199057.db2.gz CSSAZTKLHSVPHW-IMJJTQAJSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583366 841199065 /nfs/dbraw/zinc/19/90/65/841199065.db2.gz CSSAZTKLHSVPHW-IMJJTQAJSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583841 841199715 /nfs/dbraw/zinc/19/97/15/841199715.db2.gz ULSUUASPMJBXIC-YUELXQCFSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583841 841199717 /nfs/dbraw/zinc/19/97/17/841199717.db2.gz ULSUUASPMJBXIC-YUELXQCFSA-N 2 2 354.401 0.652 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696194 841326802 /nfs/dbraw/zinc/32/68/02/841326802.db2.gz OFAQLGMWJODSEC-KGLIPLIRSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696194 841326810 /nfs/dbraw/zinc/32/68/10/841326810.db2.gz OFAQLGMWJODSEC-KGLIPLIRSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719682 841353311 /nfs/dbraw/zinc/35/33/11/841353311.db2.gz QBAVCADBRKEBAF-BMFZPTHFSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719682 841353320 /nfs/dbraw/zinc/35/33/20/841353320.db2.gz QBAVCADBRKEBAF-BMFZPTHFSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719682 841353332 /nfs/dbraw/zinc/35/33/32/841353332.db2.gz QBAVCADBRKEBAF-BMFZPTHFSA-N 2 2 352.504 0.926 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)C1 ZINC001083719682 841353343 /nfs/dbraw/zinc/35/33/43/841353343.db2.gz QBAVCADBRKEBAF-BMFZPTHFSA-N 2 2 352.504 0.926 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723417 841359877 /nfs/dbraw/zinc/35/98/77/841359877.db2.gz JHLYHXJLATUYCG-PMPSAXMXSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723417 841359889 /nfs/dbraw/zinc/35/98/89/841359889.db2.gz JHLYHXJLATUYCG-PMPSAXMXSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723417 841359899 /nfs/dbraw/zinc/35/98/99/841359899.db2.gz JHLYHXJLATUYCG-PMPSAXMXSA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723417 841359909 /nfs/dbraw/zinc/35/99/09/841359909.db2.gz JHLYHXJLATUYCG-PMPSAXMXSA-N 2 2 353.488 0.519 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)o1 ZINC001083778434 841424503 /nfs/dbraw/zinc/42/45/03/841424503.db2.gz MRKAIQHQBSWQDT-CFVMTHIKSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)o1 ZINC001083778434 841424508 /nfs/dbraw/zinc/42/45/08/841424508.db2.gz MRKAIQHQBSWQDT-CFVMTHIKSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)o1 ZINC001083778434 841424516 /nfs/dbraw/zinc/42/45/16/841424516.db2.gz MRKAIQHQBSWQDT-CFVMTHIKSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)o1 ZINC001083778434 841424522 /nfs/dbraw/zinc/42/45/22/841424522.db2.gz MRKAIQHQBSWQDT-CFVMTHIKSA-N 2 2 350.463 0.691 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083887721 841534999 /nfs/dbraw/zinc/53/49/99/841534999.db2.gz ICLGUBIOQDYRSE-ZACQAIPSSA-N 2 2 353.507 0.695 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001083887721 841535009 /nfs/dbraw/zinc/53/50/09/841535009.db2.gz ICLGUBIOQDYRSE-ZACQAIPSSA-N 2 2 353.507 0.695 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001083997538 841627447 /nfs/dbraw/zinc/62/74/47/841627447.db2.gz BITXJBDUXKWAAD-IKGGRYGDSA-N 2 2 350.463 0.363 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001083997538 841627456 /nfs/dbraw/zinc/62/74/56/841627456.db2.gz BITXJBDUXKWAAD-IKGGRYGDSA-N 2 2 350.463 0.363 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084475937 841808074 /nfs/dbraw/zinc/80/80/74/841808074.db2.gz AJJPAICUHXXUGW-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001084475937 841808082 /nfs/dbraw/zinc/80/80/82/841808082.db2.gz AJJPAICUHXXUGW-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084475937 841808088 /nfs/dbraw/zinc/80/80/88/841808088.db2.gz AJJPAICUHXXUGW-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001084475937 841808096 /nfs/dbraw/zinc/80/80/96/841808096.db2.gz AJJPAICUHXXUGW-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275878888 861242589 /nfs/dbraw/zinc/24/25/89/861242589.db2.gz MQFANLMTCKRCPG-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275878888 861242599 /nfs/dbraw/zinc/24/25/99/861242599.db2.gz MQFANLMTCKRCPG-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275878888 861242613 /nfs/dbraw/zinc/24/26/13/861242613.db2.gz MQFANLMTCKRCPG-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878888 861242625 /nfs/dbraw/zinc/24/26/25/861242625.db2.gz MQFANLMTCKRCPG-IEZWGBDMSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084700921 841889988 /nfs/dbraw/zinc/88/99/88/841889988.db2.gz GTGBOLVTMJWWDN-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+]1CCCCCC1 ZINC001084700921 841889997 /nfs/dbraw/zinc/88/99/97/841889997.db2.gz GTGBOLVTMJWWDN-GVDBMIGSSA-N 2 2 350.507 0.872 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085158997 842029479 /nfs/dbraw/zinc/02/94/79/842029479.db2.gz DRFMHMOBOFXDBD-KFWWJZLASA-N 2 2 350.467 0.146 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085158997 842029490 /nfs/dbraw/zinc/02/94/90/842029490.db2.gz DRFMHMOBOFXDBD-KFWWJZLASA-N 2 2 350.467 0.146 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085429363 842103249 /nfs/dbraw/zinc/10/32/49/842103249.db2.gz PFIZQJVFEOHRTO-KFWWJZLASA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085429363 842103251 /nfs/dbraw/zinc/10/32/51/842103251.db2.gz PFIZQJVFEOHRTO-KFWWJZLASA-N 2 2 350.467 0.053 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086119945 842121511 /nfs/dbraw/zinc/12/15/11/842121511.db2.gz GTBAVEZVJSTXGG-ARILJUKYSA-N 2 2 350.467 0.080 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nncn1C ZINC001086119945 842121519 /nfs/dbraw/zinc/12/15/19/842121519.db2.gz GTBAVEZVJSTXGG-ARILJUKYSA-N 2 2 350.467 0.080 20 0 FCADLP Cc1noc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120038 842121683 /nfs/dbraw/zinc/12/16/83/842121683.db2.gz JFBILXBZIVUSDX-QFCKPIOYSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1noc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120038 842121690 /nfs/dbraw/zinc/12/16/90/842121690.db2.gz JFBILXBZIVUSDX-QFCKPIOYSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119864 842122219 /nfs/dbraw/zinc/12/22/19/842122219.db2.gz CWUIAYPTQLNBHI-SOMZYNEFSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086119864 842122227 /nfs/dbraw/zinc/12/22/27/842122227.db2.gz CWUIAYPTQLNBHI-SOMZYNEFSA-N 2 2 351.451 0.643 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001087087919 842280698 /nfs/dbraw/zinc/28/06/98/842280698.db2.gz BFOBJGWLUUUAKQ-ZMSDIMECSA-N 2 2 350.463 0.832 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+]1CC(N)=O ZINC001087601557 842373540 /nfs/dbraw/zinc/37/35/40/842373540.db2.gz XOKKJUUJXSIOJY-XHSDSOJGSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@H+]1CC(N)=O ZINC001087601557 842373553 /nfs/dbraw/zinc/37/35/53/842373553.db2.gz XOKKJUUJXSIOJY-XHSDSOJGSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC[NH+]1CC(N)=O ZINC001087601557 842373564 /nfs/dbraw/zinc/37/35/64/842373564.db2.gz XOKKJUUJXSIOJY-XHSDSOJGSA-N 2 2 352.479 0.084 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC[NH+]1CC(N)=O ZINC001087601557 842373579 /nfs/dbraw/zinc/37/35/79/842373579.db2.gz XOKKJUUJXSIOJY-XHSDSOJGSA-N 2 2 352.479 0.084 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088763039 842669244 /nfs/dbraw/zinc/66/92/44/842669244.db2.gz JWISTVYNOPWJMC-NCOADZHNSA-N 2 2 355.479 0.092 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088763039 842669252 /nfs/dbraw/zinc/66/92/52/842669252.db2.gz JWISTVYNOPWJMC-NCOADZHNSA-N 2 2 355.479 0.092 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(=O)N(C)C ZINC001088860279 842697505 /nfs/dbraw/zinc/69/75/05/842697505.db2.gz DJOMIYVNMLRFKE-QWQRMKEZSA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1CC(=O)N(C)C ZINC001088860279 842697507 /nfs/dbraw/zinc/69/75/07/842697507.db2.gz DJOMIYVNMLRFKE-QWQRMKEZSA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)N(C)C ZINC001088860279 842697511 /nfs/dbraw/zinc/69/75/11/842697511.db2.gz DJOMIYVNMLRFKE-QWQRMKEZSA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1CC(=O)N(C)C ZINC001088860279 842697513 /nfs/dbraw/zinc/69/75/13/842697513.db2.gz DJOMIYVNMLRFKE-QWQRMKEZSA-N 2 2 356.486 0.866 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC(=O)N1CCCC1 ZINC001088939356 842723271 /nfs/dbraw/zinc/72/32/71/842723271.db2.gz LOTUIUGNGPWCLM-SJORKVTESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC(=O)N1CCCC1 ZINC001088939356 842723279 /nfs/dbraw/zinc/72/32/79/842723279.db2.gz LOTUIUGNGPWCLM-SJORKVTESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001089038467 842750990 /nfs/dbraw/zinc/75/09/90/842750990.db2.gz XONFTDRHVKZZCI-PMPSAXMXSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001089038467 842750999 /nfs/dbraw/zinc/75/09/99/842750999.db2.gz XONFTDRHVKZZCI-PMPSAXMXSA-N 2 2 357.520 0.486 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001089041413 842751330 /nfs/dbraw/zinc/75/13/30/842751330.db2.gz USZHJRSTZMOEBV-KBMXLJTQSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1C ZINC001089041413 842751335 /nfs/dbraw/zinc/75/13/35/842751335.db2.gz USZHJRSTZMOEBV-KBMXLJTQSA-N 2 2 368.503 0.595 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252815 861377569 /nfs/dbraw/zinc/37/75/69/861377569.db2.gz ZVMKZQIYZVEWHG-CXAGYDPISA-N 2 2 350.419 0.033 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276252815 861377583 /nfs/dbraw/zinc/37/75/83/861377583.db2.gz ZVMKZQIYZVEWHG-CXAGYDPISA-N 2 2 350.419 0.033 20 0 FCADLP C[C@]12CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]1C[N@H+](CCCO)C2 ZINC001092292148 843180282 /nfs/dbraw/zinc/18/02/82/843180282.db2.gz OWHDUTPDWQFVLQ-AOIWGVFYSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092292148 843180292 /nfs/dbraw/zinc/18/02/92/843180292.db2.gz OWHDUTPDWQFVLQ-AOIWGVFYSA-N 2 2 351.491 0.260 20 0 FCADLP Cc1csc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522023 843227478 /nfs/dbraw/zinc/22/74/78/843227478.db2.gz JCTXBRQBEYMKJS-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1csc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092522023 843227487 /nfs/dbraw/zinc/22/74/87/843227487.db2.gz JCTXBRQBEYMKJS-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1csc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522023 843227499 /nfs/dbraw/zinc/22/74/99/843227499.db2.gz JCTXBRQBEYMKJS-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1csc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092522023 843227516 /nfs/dbraw/zinc/22/75/16/843227516.db2.gz JCTXBRQBEYMKJS-BPLDGKMQSA-N 2 2 352.504 0.966 20 0 FCADLP CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848343 843319400 /nfs/dbraw/zinc/31/94/00/843319400.db2.gz XUVHKNJNKXZHQN-TVFCKZIOSA-N 2 2 353.507 0.960 20 0 FCADLP CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](C)C1 ZINC001092848343 843319410 /nfs/dbraw/zinc/31/94/10/843319410.db2.gz XUVHKNJNKXZHQN-TVFCKZIOSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911477 843339582 /nfs/dbraw/zinc/33/95/82/843339582.db2.gz SFASBNFMKFEUQG-IIAWOOMASA-N 2 2 351.451 0.363 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911477 843339589 /nfs/dbraw/zinc/33/95/89/843339589.db2.gz SFASBNFMKFEUQG-IIAWOOMASA-N 2 2 351.451 0.363 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911477 843339598 /nfs/dbraw/zinc/33/95/98/843339598.db2.gz SFASBNFMKFEUQG-IIAWOOMASA-N 2 2 351.451 0.363 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2C)C1 ZINC001092911477 843339606 /nfs/dbraw/zinc/33/96/06/843339606.db2.gz SFASBNFMKFEUQG-IIAWOOMASA-N 2 2 351.451 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl ZINC001093691504 843456402 /nfs/dbraw/zinc/45/64/02/843456402.db2.gz ZFBZNZBIUWYARZ-XJKCOSOUSA-N 2 2 369.897 0.588 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl ZINC001093691504 843456408 /nfs/dbraw/zinc/45/64/08/843456408.db2.gz ZFBZNZBIUWYARZ-XJKCOSOUSA-N 2 2 369.897 0.588 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093813340 843473003 /nfs/dbraw/zinc/47/30/03/843473003.db2.gz CZTZSBRDECNYCY-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001093813340 843473007 /nfs/dbraw/zinc/47/30/07/843473007.db2.gz CZTZSBRDECNYCY-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857612 843479625 /nfs/dbraw/zinc/47/96/25/843479625.db2.gz NYMUNXVHBAEWSD-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001093857612 843479632 /nfs/dbraw/zinc/47/96/32/843479632.db2.gz NYMUNXVHBAEWSD-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857525 843479689 /nfs/dbraw/zinc/47/96/89/843479689.db2.gz JQLYZXGIZSZRDP-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857525 843479693 /nfs/dbraw/zinc/47/96/93/843479693.db2.gz JQLYZXGIZSZRDP-QHSBEEBCSA-N 2 2 351.451 0.281 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001094254853 843541210 /nfs/dbraw/zinc/54/12/10/843541210.db2.gz QMSRHHPRSDQLNU-BZUAXINKSA-N 2 2 368.503 0.392 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCOC)C3)nn2)CC[N@@H+]1C ZINC001094293594 843543951 /nfs/dbraw/zinc/54/39/51/843543951.db2.gz VHJNPVMSTXGEAN-JKSUJKDBSA-N 2 2 350.467 0.128 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2cn(C3C[NH+](CCOC)C3)nn2)CC[N@H+]1C ZINC001094293594 843543959 /nfs/dbraw/zinc/54/39/59/843543959.db2.gz VHJNPVMSTXGEAN-JKSUJKDBSA-N 2 2 350.467 0.128 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001097552665 843871829 /nfs/dbraw/zinc/87/18/29/843871829.db2.gz CWUNBRBAXBSCQL-FPCVCCKLSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001097552665 843871839 /nfs/dbraw/zinc/87/18/39/843871839.db2.gz CWUNBRBAXBSCQL-FPCVCCKLSA-N 2 2 366.487 0.348 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098099716 843900781 /nfs/dbraw/zinc/90/07/81/843900781.db2.gz UWOYKQVLSFBZPY-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098099716 843900784 /nfs/dbraw/zinc/90/07/84/843900784.db2.gz UWOYKQVLSFBZPY-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001098400962 843914072 /nfs/dbraw/zinc/91/40/72/843914072.db2.gz WQJQMPKPVXFGGN-ZACQAIPSSA-N 2 2 369.531 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001098400962 843914077 /nfs/dbraw/zinc/91/40/77/843914077.db2.gz WQJQMPKPVXFGGN-ZACQAIPSSA-N 2 2 369.531 0.629 20 0 FCADLP CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398427 843914538 /nfs/dbraw/zinc/91/45/38/843914538.db2.gz UHWVGVPPBSOZCQ-NUEKZKHPSA-N 2 2 350.463 0.833 20 0 FCADLP CO[C@@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398427 843914542 /nfs/dbraw/zinc/91/45/42/843914542.db2.gz UHWVGVPPBSOZCQ-NUEKZKHPSA-N 2 2 350.463 0.833 20 0 FCADLP CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398427 843914544 /nfs/dbraw/zinc/91/45/44/843914544.db2.gz UHWVGVPPBSOZCQ-NUEKZKHPSA-N 2 2 350.463 0.833 20 0 FCADLP CO[C@@H](C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398427 843914547 /nfs/dbraw/zinc/91/45/47/843914547.db2.gz UHWVGVPPBSOZCQ-NUEKZKHPSA-N 2 2 350.463 0.833 20 0 FCADLP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482604 843923732 /nfs/dbraw/zinc/92/37/32/843923732.db2.gz PZWBMXMXVJRCOO-NUEKZKHPSA-N 2 2 350.463 0.190 20 0 FCADLP C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001098482604 843923738 /nfs/dbraw/zinc/92/37/38/843923738.db2.gz PZWBMXMXVJRCOO-NUEKZKHPSA-N 2 2 350.463 0.190 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818770 844652175 /nfs/dbraw/zinc/65/21/75/844652175.db2.gz GNQHYKWEYJAMSK-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102818770 844652178 /nfs/dbraw/zinc/65/21/78/844652178.db2.gz GNQHYKWEYJAMSK-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102818770 844652181 /nfs/dbraw/zinc/65/21/81/844652181.db2.gz GNQHYKWEYJAMSK-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102818770 844652185 /nfs/dbraw/zinc/65/21/85/844652185.db2.gz GNQHYKWEYJAMSK-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605368 861493867 /nfs/dbraw/zinc/49/38/67/861493867.db2.gz GZCNLYVRQDSFOF-KDOFPFPSSA-N 2 2 355.479 0.582 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001276605368 861493875 /nfs/dbraw/zinc/49/38/75/861493875.db2.gz GZCNLYVRQDSFOF-KDOFPFPSSA-N 2 2 355.479 0.582 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537031 844775977 /nfs/dbraw/zinc/77/59/77/844775977.db2.gz OQINGZLWGOVGJP-HZPDHXFCSA-N 2 2 350.463 0.971 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537031 844775982 /nfs/dbraw/zinc/77/59/82/844775982.db2.gz OQINGZLWGOVGJP-HZPDHXFCSA-N 2 2 350.463 0.971 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643830 844794243 /nfs/dbraw/zinc/79/42/43/844794243.db2.gz SEXYBUISVXLDKQ-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643830 844794247 /nfs/dbraw/zinc/79/42/47/844794247.db2.gz SEXYBUISVXLDKQ-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276610869 861499367 /nfs/dbraw/zinc/49/93/67/861499367.db2.gz SCALIVDKTXOFCE-MAUKXSAKSA-N 2 2 355.479 0.298 20 0 FCADLP COC(=O)[C@@H](C)CN1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276610869 861499381 /nfs/dbraw/zinc/49/93/81/861499381.db2.gz SCALIVDKTXOFCE-MAUKXSAKSA-N 2 2 355.479 0.298 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740516 844812889 /nfs/dbraw/zinc/81/28/89/844812889.db2.gz KNUPNYXCBBLZRU-BFYDXBDKSA-N 2 2 350.463 0.970 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740516 844812899 /nfs/dbraw/zinc/81/28/99/844812899.db2.gz KNUPNYXCBBLZRU-BFYDXBDKSA-N 2 2 350.463 0.970 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740516 844812906 /nfs/dbraw/zinc/81/29/06/844812906.db2.gz KNUPNYXCBBLZRU-BFYDXBDKSA-N 2 2 350.463 0.970 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]2C)C1 ZINC001103740516 844812914 /nfs/dbraw/zinc/81/29/14/844812914.db2.gz KNUPNYXCBBLZRU-BFYDXBDKSA-N 2 2 350.463 0.970 20 0 FCADLP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001103742379 844813577 /nfs/dbraw/zinc/81/35/77/844813577.db2.gz DNJUGYCDJVCLAF-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001103742379 844813579 /nfs/dbraw/zinc/81/35/79/844813579.db2.gz DNJUGYCDJVCLAF-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001104439520 844912159 /nfs/dbraw/zinc/91/21/59/844912159.db2.gz FIFVLQXPENAVRN-TVFCKZIOSA-N 2 2 353.507 0.960 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccon3)C2)C1 ZINC001105041685 844973999 /nfs/dbraw/zinc/97/39/99/844973999.db2.gz HHEKTLKKCMEUHM-BFYDXBDKSA-N 2 2 350.463 0.970 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccon3)C2)C1 ZINC001105041685 844974002 /nfs/dbraw/zinc/97/40/02/844974002.db2.gz HHEKTLKKCMEUHM-BFYDXBDKSA-N 2 2 350.463 0.970 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCOCCO ZINC001105097633 844980251 /nfs/dbraw/zinc/98/02/51/844980251.db2.gz USMGWWORAOMUTP-IAGOWNOFSA-N 2 2 352.479 0.746 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105655571 845010683 /nfs/dbraw/zinc/01/06/83/845010683.db2.gz JFEMQFWIYVOLEK-XYVMCAHJSA-N 2 2 350.463 0.301 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106333552 845158079 /nfs/dbraw/zinc/15/80/79/845158079.db2.gz MTAOOWIZUHJFFQ-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106343541 845160331 /nfs/dbraw/zinc/16/03/31/845160331.db2.gz HZHJTWVYUQZWOK-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106877175 845276330 /nfs/dbraw/zinc/27/63/30/845276330.db2.gz QBGNMHQBRHGEKX-ZIAGYGMSSA-N 2 2 356.492 0.081 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001107075773 845325491 /nfs/dbraw/zinc/32/54/91/845325491.db2.gz DSQWMZPOWPQSRW-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001109113565 845573347 /nfs/dbraw/zinc/57/33/47/845573347.db2.gz QNEUMMCSDSAGRN-VSZNYVQBSA-N 2 2 351.491 0.855 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001109113565 845573350 /nfs/dbraw/zinc/57/33/50/845573350.db2.gz QNEUMMCSDSAGRN-VSZNYVQBSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)C1 ZINC001109113565 845573362 /nfs/dbraw/zinc/57/33/62/845573362.db2.gz QNEUMMCSDSAGRN-VSZNYVQBSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CCC2)C1 ZINC001109113565 845573368 /nfs/dbraw/zinc/57/33/68/845573368.db2.gz QNEUMMCSDSAGRN-VSZNYVQBSA-N 2 2 351.491 0.855 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001109304026 845617851 /nfs/dbraw/zinc/61/78/51/845617851.db2.gz GSSZZSPYFHOLKP-SUJAAXHWSA-N 2 2 357.520 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001109304026 845617857 /nfs/dbraw/zinc/61/78/57/845617857.db2.gz GSSZZSPYFHOLKP-SUJAAXHWSA-N 2 2 357.520 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001109304026 845617862 /nfs/dbraw/zinc/61/78/62/845617862.db2.gz GSSZZSPYFHOLKP-SUJAAXHWSA-N 2 2 357.520 0.483 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001109304026 845617866 /nfs/dbraw/zinc/61/78/66/845617866.db2.gz GSSZZSPYFHOLKP-SUJAAXHWSA-N 2 2 357.520 0.483 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109371579 845640160 /nfs/dbraw/zinc/64/01/60/845640160.db2.gz KHKBTSLHDMOYOL-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(C)(=O)=O ZINC001109371579 845640163 /nfs/dbraw/zinc/64/01/63/845640163.db2.gz KHKBTSLHDMOYOL-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001109371579 845640165 /nfs/dbraw/zinc/64/01/65/845640165.db2.gz KHKBTSLHDMOYOL-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001109371579 845640166 /nfs/dbraw/zinc/64/01/66/845640166.db2.gz KHKBTSLHDMOYOL-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001109445841 845656398 /nfs/dbraw/zinc/65/63/98/845656398.db2.gz AGOLZBYNNYURLO-TWMKSMIVSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001109445841 845656406 /nfs/dbraw/zinc/65/64/06/845656406.db2.gz AGOLZBYNNYURLO-TWMKSMIVSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001109446694 845656917 /nfs/dbraw/zinc/65/69/17/845656917.db2.gz VFCSAURPCUMAID-TWMKSMIVSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001109446694 845656924 /nfs/dbraw/zinc/65/69/24/845656924.db2.gz VFCSAURPCUMAID-TWMKSMIVSA-N 2 2 350.507 0.917 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001109462115 845666014 /nfs/dbraw/zinc/66/60/14/845666014.db2.gz BXIKJXZSQGKOFD-RNJOBUHISA-N 2 2 353.467 0.022 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001109462115 845666015 /nfs/dbraw/zinc/66/60/15/845666015.db2.gz BXIKJXZSQGKOFD-RNJOBUHISA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001109462115 845666017 /nfs/dbraw/zinc/66/60/17/845666017.db2.gz BXIKJXZSQGKOFD-RNJOBUHISA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001109462115 845666018 /nfs/dbraw/zinc/66/60/18/845666018.db2.gz BXIKJXZSQGKOFD-RNJOBUHISA-N 2 2 353.467 0.022 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918346 845760682 /nfs/dbraw/zinc/76/06/82/845760682.db2.gz CJZYBKJKOHGOEX-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918346 845760689 /nfs/dbraw/zinc/76/06/89/845760689.db2.gz CJZYBKJKOHGOEX-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977307 845771075 /nfs/dbraw/zinc/77/10/75/845771075.db2.gz CVDDDJAHGXPRKH-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977307 845771078 /nfs/dbraw/zinc/77/10/78/845771078.db2.gz CVDDDJAHGXPRKH-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001110161603 845809265 /nfs/dbraw/zinc/80/92/65/845809265.db2.gz LQRKUVDXBGRBRP-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CCC1 ZINC001110161603 845809267 /nfs/dbraw/zinc/80/92/67/845809267.db2.gz LQRKUVDXBGRBRP-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001110161603 845809270 /nfs/dbraw/zinc/80/92/70/845809270.db2.gz LQRKUVDXBGRBRP-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001110161603 845809273 /nfs/dbraw/zinc/80/92/73/845809273.db2.gz LQRKUVDXBGRBRP-IKGGRYGDSA-N 2 2 350.507 0.964 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386799 845876007 /nfs/dbraw/zinc/87/60/07/845876007.db2.gz WRAFZAXVVQOWAP-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386799 845876015 /nfs/dbraw/zinc/87/60/15/845876015.db2.gz WRAFZAXVVQOWAP-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110386799 845876023 /nfs/dbraw/zinc/87/60/23/845876023.db2.gz WRAFZAXVVQOWAP-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110386799 845876033 /nfs/dbraw/zinc/87/60/33/845876033.db2.gz WRAFZAXVVQOWAP-LVQVYYBASA-N 2 2 372.535 0.084 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569255 845920628 /nfs/dbraw/zinc/92/06/28/845920628.db2.gz HUBFWAQGUZSOBM-TWMKSMIVSA-N 2 2 369.531 0.484 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569255 845920631 /nfs/dbraw/zinc/92/06/31/845920631.db2.gz HUBFWAQGUZSOBM-TWMKSMIVSA-N 2 2 369.531 0.484 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001110714919 845953510 /nfs/dbraw/zinc/95/35/10/845953510.db2.gz LHLLSOLOSYITCH-FPCVCCKLSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001110714919 845953514 /nfs/dbraw/zinc/95/35/14/845953514.db2.gz LHLLSOLOSYITCH-FPCVCCKLSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001110715324 845955186 /nfs/dbraw/zinc/95/51/86/845955186.db2.gz VFCSAURPCUMAID-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1)[NH+](C)C ZINC001110715324 845955192 /nfs/dbraw/zinc/95/51/92/845955192.db2.gz VFCSAURPCUMAID-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110816951 845977714 /nfs/dbraw/zinc/97/77/14/845977714.db2.gz GBNPTMUCKVBZJV-MIGQKNRLSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110816951 845977727 /nfs/dbraw/zinc/97/77/27/845977727.db2.gz GBNPTMUCKVBZJV-MIGQKNRLSA-N 2 2 368.503 0.594 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110948876 846001032 /nfs/dbraw/zinc/00/10/32/846001032.db2.gz OZAXWQLYHYCJGI-OAGGEKHMSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110948876 846001041 /nfs/dbraw/zinc/00/10/41/846001041.db2.gz OZAXWQLYHYCJGI-OAGGEKHMSA-N 2 2 351.447 0.685 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954245 846001331 /nfs/dbraw/zinc/00/13/31/846001331.db2.gz NJNLVMNOBWNQEG-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954245 846001333 /nfs/dbraw/zinc/00/13/33/846001333.db2.gz NJNLVMNOBWNQEG-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O)[NH+](CC)CC ZINC001111018202 846015319 /nfs/dbraw/zinc/01/53/19/846015319.db2.gz MWXKSHXZFYHIDL-SYQHCUMBSA-N 2 2 353.467 0.023 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O)[NH+](CC)CC ZINC001111018202 846015328 /nfs/dbraw/zinc/01/53/28/846015328.db2.gz MWXKSHXZFYHIDL-SYQHCUMBSA-N 2 2 353.467 0.023 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025224 846018825 /nfs/dbraw/zinc/01/88/25/846018825.db2.gz SAULJJQYCIEERR-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025224 846018830 /nfs/dbraw/zinc/01/88/30/846018830.db2.gz SAULJJQYCIEERR-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025224 846018835 /nfs/dbraw/zinc/01/88/35/846018835.db2.gz SAULJJQYCIEERR-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025224 846018842 /nfs/dbraw/zinc/01/88/42/846018842.db2.gz SAULJJQYCIEERR-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](C[C@@H](O)C(C)(C)C)C2)OCC1=O ZINC001276824511 861633085 /nfs/dbraw/zinc/63/30/85/861633085.db2.gz OBGJMCIVRJVAFU-QAPCUYQASA-N 2 2 350.463 0.630 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](C[C@@H](O)C(C)(C)C)C2)OCC1=O ZINC001276824511 861633098 /nfs/dbraw/zinc/63/30/98/861633098.db2.gz OBGJMCIVRJVAFU-QAPCUYQASA-N 2 2 350.463 0.630 20 0 FCADLP CC(C)[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276825999 861636580 /nfs/dbraw/zinc/63/65/80/861636580.db2.gz AFPWRMXVOKZSEW-FUHWJXTLSA-N 2 2 350.463 0.451 20 0 FCADLP CC(C)[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276825999 861636581 /nfs/dbraw/zinc/63/65/81/861636581.db2.gz AFPWRMXVOKZSEW-FUHWJXTLSA-N 2 2 350.463 0.451 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111296479 846080339 /nfs/dbraw/zinc/08/03/39/846080339.db2.gz LAPMQBHNYYNJIR-OAGGEKHMSA-N 2 2 374.551 0.379 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111296479 846080350 /nfs/dbraw/zinc/08/03/50/846080350.db2.gz LAPMQBHNYYNJIR-OAGGEKHMSA-N 2 2 374.551 0.379 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408298 846100255 /nfs/dbraw/zinc/10/02/55/846100255.db2.gz RKKQRMMDFIQGSI-HZMVEIRTSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408298 846100263 /nfs/dbraw/zinc/10/02/63/846100263.db2.gz RKKQRMMDFIQGSI-HZMVEIRTSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001111464100 846118070 /nfs/dbraw/zinc/11/80/70/846118070.db2.gz HZJSAPRZFLIEAT-DZUCGIPZSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001111464100 846118076 /nfs/dbraw/zinc/11/80/76/846118076.db2.gz HZJSAPRZFLIEAT-DZUCGIPZSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111464100 846118081 /nfs/dbraw/zinc/11/80/81/846118081.db2.gz HZJSAPRZFLIEAT-DZUCGIPZSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111464100 846118085 /nfs/dbraw/zinc/11/80/85/846118085.db2.gz HZJSAPRZFLIEAT-DZUCGIPZSA-N 2 2 350.507 0.963 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658600 846167791 /nfs/dbraw/zinc/16/77/91/846167791.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658600 846167798 /nfs/dbraw/zinc/16/77/98/846167798.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658600 846167807 /nfs/dbraw/zinc/16/78/07/846167807.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658600 846167815 /nfs/dbraw/zinc/16/78/15/846167815.db2.gz HLWAIODLVGCOGH-FCEWJHQRSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111870869 846238519 /nfs/dbraw/zinc/23/85/19/846238519.db2.gz QKFRKSJDNQBTFF-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111870869 846238529 /nfs/dbraw/zinc/23/85/29/846238529.db2.gz QKFRKSJDNQBTFF-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111870869 846238536 /nfs/dbraw/zinc/23/85/36/846238536.db2.gz QKFRKSJDNQBTFF-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111870869 846238547 /nfs/dbraw/zinc/23/85/47/846238547.db2.gz QKFRKSJDNQBTFF-BQFCYCMXSA-N 2 2 371.547 0.876 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871640 846240833 /nfs/dbraw/zinc/24/08/33/846240833.db2.gz BXKWBSDNYJRRLQ-KXBFYZLASA-N 2 2 350.507 0.825 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871640 846240840 /nfs/dbraw/zinc/24/08/40/846240840.db2.gz BXKWBSDNYJRRLQ-KXBFYZLASA-N 2 2 350.507 0.825 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871640 846240847 /nfs/dbraw/zinc/24/08/47/846240847.db2.gz BXKWBSDNYJRRLQ-KXBFYZLASA-N 2 2 350.507 0.825 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871640 846240857 /nfs/dbraw/zinc/24/08/57/846240857.db2.gz BXKWBSDNYJRRLQ-KXBFYZLASA-N 2 2 350.507 0.825 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090514 846370960 /nfs/dbraw/zinc/37/09/60/846370960.db2.gz KJCDQTUHPUWFPW-GHMZBOCLSA-N 2 2 361.368 0.409 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001112131167 846407380 /nfs/dbraw/zinc/40/73/80/846407380.db2.gz MXMYURQUUZLYDZ-QJPTWQEYSA-N 2 2 361.368 0.305 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(F)(F)F)nn1 ZINC001112160106 846425751 /nfs/dbraw/zinc/42/57/51/846425751.db2.gz SJRFPIWAUKIHKJ-CHWSQXEVSA-N 2 2 362.400 0.729 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112199492 846457047 /nfs/dbraw/zinc/45/70/47/846457047.db2.gz UNWMVTOPPKBITD-HOSYDEDBSA-N 2 2 361.368 0.374 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112199304 846457096 /nfs/dbraw/zinc/45/70/96/846457096.db2.gz QGIGQVZEBGKVFR-DMDPSCGWSA-N 2 2 364.368 0.247 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112212195 846468348 /nfs/dbraw/zinc/46/83/48/846468348.db2.gz RXCBPOFWFOLAGZ-VXGBXAGGSA-N 2 2 362.400 0.634 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112212195 846468354 /nfs/dbraw/zinc/46/83/54/846468354.db2.gz RXCBPOFWFOLAGZ-VXGBXAGGSA-N 2 2 362.400 0.634 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)CO)C2 ZINC001276959753 861707108 /nfs/dbraw/zinc/70/71/08/861707108.db2.gz XRKOGVJYBYSOTR-SFHVURJKSA-N 2 2 350.463 0.490 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](CC(C)(C)CO)C2 ZINC001276959753 861707120 /nfs/dbraw/zinc/70/71/20/861707120.db2.gz XRKOGVJYBYSOTR-SFHVURJKSA-N 2 2 350.463 0.490 20 0 FCADLP C[C@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367962 846984093 /nfs/dbraw/zinc/98/40/93/846984093.db2.gz AWENLOBPONSQBA-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367962 846984101 /nfs/dbraw/zinc/98/41/01/846984101.db2.gz AWENLOBPONSQBA-JKSUJKDBSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367961 846984330 /nfs/dbraw/zinc/98/43/30/846984330.db2.gz AWENLOBPONSQBA-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117367961 846984332 /nfs/dbraw/zinc/98/43/32/846984332.db2.gz AWENLOBPONSQBA-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP O=S1(=O)CCC(O)(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001118087765 847274694 /nfs/dbraw/zinc/27/46/94/847274694.db2.gz FKZQOFBEHIURRM-UHFFFAOYSA-N 2 2 368.499 0.548 20 0 FCADLP CCOC(=O)c1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC001119946827 848042359 /nfs/dbraw/zinc/04/23/59/848042359.db2.gz HZNGAACRQVOUES-GFCCVEGCSA-N 2 2 354.476 0.997 20 0 FCADLP CCOC(=O)c1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC001119946827 848042365 /nfs/dbraw/zinc/04/23/65/848042365.db2.gz HZNGAACRQVOUES-GFCCVEGCSA-N 2 2 354.476 0.997 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCCCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC001120596705 848249770 /nfs/dbraw/zinc/24/97/70/848249770.db2.gz JCRLRFBXNQRLLQ-DLBZAZTESA-N 2 2 355.527 0.470 20 0 FCADLP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C2CCCC2)CC1 ZINC001121983391 848430072 /nfs/dbraw/zinc/43/00/72/848430072.db2.gz YGKYXLRMTHGDNL-KBMXLJTQSA-N 2 2 355.504 0.096 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122236730 848473352 /nfs/dbraw/zinc/47/33/52/848473352.db2.gz ZKABIMRHJSTDLO-HDICACEKSA-N 3 2 350.507 0.118 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122236730 848473359 /nfs/dbraw/zinc/47/33/59/848473359.db2.gz ZKABIMRHJSTDLO-HDICACEKSA-N 3 2 350.507 0.118 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694262 848624754 /nfs/dbraw/zinc/62/47/54/848624754.db2.gz IZNZUCIVRPGRDV-IRXDYDNUSA-N 2 2 355.527 0.373 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694262 848624756 /nfs/dbraw/zinc/62/47/56/848624756.db2.gz IZNZUCIVRPGRDV-IRXDYDNUSA-N 2 2 355.527 0.373 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694263 848624885 /nfs/dbraw/zinc/62/48/85/848624885.db2.gz IZNZUCIVRPGRDV-SJORKVTESA-N 2 2 355.527 0.373 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123694263 848624888 /nfs/dbraw/zinc/62/48/88/848624888.db2.gz IZNZUCIVRPGRDV-SJORKVTESA-N 2 2 355.527 0.373 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129233430 848820398 /nfs/dbraw/zinc/82/03/98/848820398.db2.gz OOPQHTSXGVTICV-IXSFSPNOSA-N 2 2 354.886 0.958 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129233430 848820405 /nfs/dbraw/zinc/82/04/05/848820405.db2.gz OOPQHTSXGVTICV-IXSFSPNOSA-N 2 2 354.886 0.958 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001130136999 848949911 /nfs/dbraw/zinc/94/99/11/848949911.db2.gz DCDRXRPWQSFROE-CABCVRRESA-N 2 2 363.491 0.617 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001130136999 848949915 /nfs/dbraw/zinc/94/99/15/848949915.db2.gz DCDRXRPWQSFROE-CABCVRRESA-N 2 2 363.491 0.617 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C(C)C)n[nH]1 ZINC001130251482 848989906 /nfs/dbraw/zinc/98/99/06/848989906.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 2 2 352.483 0.632 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C(C)C)n[nH]1 ZINC001130251482 848989911 /nfs/dbraw/zinc/98/99/11/848989911.db2.gz XPBOXDLZDULRDW-KBPBESRZSA-N 2 2 352.483 0.632 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)c1 ZINC001130555808 849013342 /nfs/dbraw/zinc/01/33/42/849013342.db2.gz LRPRYVWLEGGYHV-LSKGSPGRSA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)c1 ZINC001130555808 849013347 /nfs/dbraw/zinc/01/33/47/849013347.db2.gz LRPRYVWLEGGYHV-LSKGSPGRSA-N 2 2 367.881 0.387 20 0 FCADLP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131582985 849127006 /nfs/dbraw/zinc/12/70/06/849127006.db2.gz JSHJDWCAZMEZGP-QAPCUYQASA-N 2 2 350.463 0.974 20 0 FCADLP O=C(NCC[NH2+]Cc1cncs1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613819 849131165 /nfs/dbraw/zinc/13/11/65/849131165.db2.gz OJRLUMFNHKQZRT-HIFRSBDPSA-N 2 2 354.476 0.229 20 0 FCADLP C[C@@]1(O)COCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139761477 849347125 /nfs/dbraw/zinc/34/71/25/849347125.db2.gz JDKDFTLDASMFPW-IBGZPJMESA-N 2 2 350.459 0.981 20 0 FCADLP C[C@@]1(O)COCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139761477 849347134 /nfs/dbraw/zinc/34/71/34/849347134.db2.gz JDKDFTLDASMFPW-IBGZPJMESA-N 2 2 350.459 0.981 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC001151275372 849682648 /nfs/dbraw/zinc/68/26/48/849682648.db2.gz WOFGUIGUEQHKAF-CQSZACIVSA-N 2 2 356.492 0.700 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001153501340 849750084 /nfs/dbraw/zinc/75/00/84/849750084.db2.gz LECGTZQPCJTKEY-HZSPNIEDSA-N 2 2 352.483 0.165 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001153501340 849750091 /nfs/dbraw/zinc/75/00/91/849750091.db2.gz LECGTZQPCJTKEY-HZSPNIEDSA-N 2 2 352.483 0.165 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001153501340 849750100 /nfs/dbraw/zinc/75/01/00/849750100.db2.gz LECGTZQPCJTKEY-HZSPNIEDSA-N 2 2 352.483 0.165 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001153501340 849750110 /nfs/dbraw/zinc/75/01/10/849750110.db2.gz LECGTZQPCJTKEY-HZSPNIEDSA-N 2 2 352.483 0.165 20 0 FCADLP CC[N@H+](CC(=O)NC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998436 849773438 /nfs/dbraw/zinc/77/34/38/849773438.db2.gz RHBVZIHHEPRKAG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[N@@H+](CC(=O)NC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998436 849773442 /nfs/dbraw/zinc/77/34/42/849773442.db2.gz RHBVZIHHEPRKAG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](CC(=O)NC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998436 849773443 /nfs/dbraw/zinc/77/34/43/849773443.db2.gz RHBVZIHHEPRKAG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](CC(=O)NC(C)(C)C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998436 849773446 /nfs/dbraw/zinc/77/34/46/849773446.db2.gz RHBVZIHHEPRKAG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157593825 849983367 /nfs/dbraw/zinc/98/33/67/849983367.db2.gz YRMRDOCVWVYGRL-GOSISDBHSA-N 3 2 351.539 0.461 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CSCc1ccc(C)cc1 ZINC001158000775 850011337 /nfs/dbraw/zinc/01/13/37/850011337.db2.gz ZTFRBXFXGANIMY-HOTGVXAUSA-N 2 2 365.499 0.919 20 0 FCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001158855204 850080945 /nfs/dbraw/zinc/08/09/45/850080945.db2.gz FZJMWZYODNDZPY-RKNYENMMSA-N 2 2 355.508 0.231 20 0 FCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001158855204 850080953 /nfs/dbraw/zinc/08/09/53/850080953.db2.gz FZJMWZYODNDZPY-RKNYENMMSA-N 2 2 355.508 0.231 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159219449 850102042 /nfs/dbraw/zinc/10/20/42/850102042.db2.gz HZDDZPBGJQQDGG-MPGHIAIKSA-N 2 2 362.499 0.750 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833483 850138991 /nfs/dbraw/zinc/13/89/91/850138991.db2.gz MGYYEPNGWOEIDK-MELADBBJSA-N 2 2 366.487 0.846 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)C1 ZINC001159910124 850145128 /nfs/dbraw/zinc/14/51/28/850145128.db2.gz OCYXKIBXLISZSP-XSEXMBABSA-N 2 2 366.487 0.355 20 0 FCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)[C@@H]4COC[NH2+]4)CC[C@@H]3C2)cs1 ZINC001160336278 850166837 /nfs/dbraw/zinc/16/68/37/850166837.db2.gz YVSVSYKLBRLTKR-VNQPRFMTSA-N 2 2 366.487 0.447 20 0 FCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)[C@@H]4COC[NH2+]4)CC[C@@H]3C2)cs1 ZINC001160336278 850166843 /nfs/dbraw/zinc/16/68/43/850166843.db2.gz YVSVSYKLBRLTKR-VNQPRFMTSA-N 2 2 366.487 0.447 20 0 FCADLP [NH3+]C1(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]CC1 ZINC001160477688 850175161 /nfs/dbraw/zinc/17/51/61/850175161.db2.gz BTPUTQBNZHTXCE-UHFFFAOYSA-N 2 2 364.397 0.286 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795471 862101308 /nfs/dbraw/zinc/10/13/08/862101308.db2.gz XKMKCSNPCCRGNR-FUHWJXTLSA-N 2 2 350.463 0.773 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001277795471 862101311 /nfs/dbraw/zinc/10/13/11/862101311.db2.gz XKMKCSNPCCRGNR-FUHWJXTLSA-N 2 2 350.463 0.773 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161466912 850260777 /nfs/dbraw/zinc/26/07/77/850260777.db2.gz ALXLPZPKBKTGHY-KBPBESRZSA-N 2 2 360.449 0.808 20 0 FCADLP CS(=O)(=O)N1CCN(c2cccc(NCCCn3cc[nH+]c3)[nH+]2)CC1 ZINC001161682146 850277998 /nfs/dbraw/zinc/27/79/98/850277998.db2.gz KHVOIQHPDXCTGV-UHFFFAOYSA-N 2 2 364.475 0.862 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001162855828 850334308 /nfs/dbraw/zinc/33/43/08/850334308.db2.gz PQXADVOVWSCNRL-ZDUSSCGKSA-N 2 2 351.451 0.936 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCOC)CC1 ZINC001277833074 862121627 /nfs/dbraw/zinc/12/16/27/862121627.db2.gz BBARZAJCZSNKSO-IRXDYDNUSA-N 2 2 355.523 0.944 20 0 FCADLP Cn1ncc(Br)c(NCC2([NH+](C)C)CC[NH+](C)CC2)c1=O ZINC001164213356 850398163 /nfs/dbraw/zinc/39/81/63/850398163.db2.gz TUUPRLLWKOZLRJ-UHFFFAOYSA-N 2 2 358.284 0.981 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837094 862124871 /nfs/dbraw/zinc/12/48/71/862124871.db2.gz UQCJOQWONLMOQA-HIFRSBDPSA-N 2 2 367.412 0.555 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837094 862124877 /nfs/dbraw/zinc/12/48/77/862124877.db2.gz UQCJOQWONLMOQA-HIFRSBDPSA-N 2 2 367.412 0.555 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cnsn3)CC2)O1 ZINC001165727776 850453633 /nfs/dbraw/zinc/45/36/33/850453633.db2.gz IDLZYGWLJGGKLW-TZMCWYRMSA-N 2 2 353.492 0.633 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2(C[NH2+]Cc3cnsn3)CC2)O1 ZINC001165727776 850453637 /nfs/dbraw/zinc/45/36/37/850453637.db2.gz IDLZYGWLJGGKLW-TZMCWYRMSA-N 2 2 353.492 0.633 20 0 FCADLP CN(C1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1)S(C)(=O)=O ZINC001166922407 850513395 /nfs/dbraw/zinc/51/33/95/850513395.db2.gz OUVRJXAIBFHOCH-UHFFFAOYSA-N 2 2 353.492 0.351 20 0 FCADLP C[C@@H](C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CS(C)(=O)=O ZINC001166968081 850516212 /nfs/dbraw/zinc/51/62/12/850516212.db2.gz LPCOTDBBKOXHFH-BFHYXJOUSA-N 2 2 356.492 0.300 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001166968104 850516516 /nfs/dbraw/zinc/51/65/16/850516516.db2.gz MCPJNOFJPGKJCS-BZUAXINKSA-N 2 2 350.463 0.815 20 0 FCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC1CC2(C1)CS(=O)(=O)C2 ZINC001168203829 850574746 /nfs/dbraw/zinc/57/47/46/850574746.db2.gz JNDHKSGEFJUGKL-UHFFFAOYSA-N 2 2 365.503 0.949 20 0 FCADLP CCc1c(Cl)nc(S(C)(=O)=O)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071793 850604052 /nfs/dbraw/zinc/60/40/52/850604052.db2.gz LFRAIEWXJXCKNE-MRVPVSSYSA-N 2 2 359.839 0.144 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169369654 850619171 /nfs/dbraw/zinc/61/91/71/850619171.db2.gz HTDIXNATPVEFJI-RFGFWPKPSA-N 2 2 357.451 0.633 20 0 FCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCOCCOCC[NH3+] ZINC001170505824 850655077 /nfs/dbraw/zinc/65/50/77/850655077.db2.gz UCXQNGBMTVIEHA-UHFFFAOYSA-N 3 2 352.483 0.364 20 0 FCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)[C@@H]([NH3+])C1 ZINC001173745520 850735546 /nfs/dbraw/zinc/73/55/46/850735546.db2.gz WIZOBAZXZJDFSD-XDQVBPFNSA-N 2 2 351.455 0.693 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001178948797 850940671 /nfs/dbraw/zinc/94/06/71/850940671.db2.gz OSXYVBRHRDGDLA-JKSUJKDBSA-N 2 2 363.531 0.813 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759782 851063037 /nfs/dbraw/zinc/06/30/37/851063037.db2.gz RGVLTKKNQXUJAO-KFWWJZLASA-N 2 2 350.488 0.897 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001180759782 851063044 /nfs/dbraw/zinc/06/30/44/851063044.db2.gz RGVLTKKNQXUJAO-KFWWJZLASA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001180759782 851063051 /nfs/dbraw/zinc/06/30/51/851063051.db2.gz RGVLTKKNQXUJAO-KFWWJZLASA-N 2 2 350.488 0.897 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001180759782 851063055 /nfs/dbraw/zinc/06/30/55/851063055.db2.gz RGVLTKKNQXUJAO-KFWWJZLASA-N 2 2 350.488 0.897 20 0 FCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184469675 851310270 /nfs/dbraw/zinc/31/02/70/851310270.db2.gz NLZLWQHCBLUMAB-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431902 851563565 /nfs/dbraw/zinc/56/35/65/851563565.db2.gz HEPCKLZYZMQVGX-MJBXVCDLSA-N 2 2 365.396 0.429 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431902 851563583 /nfs/dbraw/zinc/56/35/83/851563583.db2.gz HEPCKLZYZMQVGX-MJBXVCDLSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431902 851563597 /nfs/dbraw/zinc/56/35/97/851563597.db2.gz HEPCKLZYZMQVGX-MJBXVCDLSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431902 851563616 /nfs/dbraw/zinc/56/36/16/851563616.db2.gz HEPCKLZYZMQVGX-MJBXVCDLSA-N 2 2 365.396 0.429 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](Cc3cnnn3C)C[C@H]21 ZINC001188107158 851645368 /nfs/dbraw/zinc/64/53/68/851645368.db2.gz IMUKAFZWEIGTIX-CWRNSKLLSA-N 2 2 352.458 0.528 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188106898 851645602 /nfs/dbraw/zinc/64/56/02/851645602.db2.gz BQLWLVBYOLHCIY-HRCADAONSA-N 2 2 356.486 0.725 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212331 851658742 /nfs/dbraw/zinc/65/87/42/851658742.db2.gz GJNGKMRDIRQIAI-GOEBONIOSA-N 2 2 357.520 0.438 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CCCS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212331 851658746 /nfs/dbraw/zinc/65/87/46/851658746.db2.gz GJNGKMRDIRQIAI-GOEBONIOSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212331 851658752 /nfs/dbraw/zinc/65/87/52/851658752.db2.gz GJNGKMRDIRQIAI-GOEBONIOSA-N 2 2 357.520 0.438 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@H]21)C1CCC1 ZINC001188212331 851658754 /nfs/dbraw/zinc/65/87/54/851658754.db2.gz GJNGKMRDIRQIAI-GOEBONIOSA-N 2 2 357.520 0.438 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995989 851741635 /nfs/dbraw/zinc/74/16/35/851741635.db2.gz ZABUYCFCJQUQEW-DOTOQJQBSA-N 2 2 352.504 0.589 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001188995989 851741642 /nfs/dbraw/zinc/74/16/42/851741642.db2.gz ZABUYCFCJQUQEW-DOTOQJQBSA-N 2 2 352.504 0.589 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127308 851755296 /nfs/dbraw/zinc/75/52/96/851755296.db2.gz SPZLARUXWKZSIV-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127308 851755301 /nfs/dbraw/zinc/75/53/01/851755301.db2.gz SPZLARUXWKZSIV-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127308 851755308 /nfs/dbraw/zinc/75/53/08/851755308.db2.gz SPZLARUXWKZSIV-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189127308 851755312 /nfs/dbraw/zinc/75/53/12/851755312.db2.gz SPZLARUXWKZSIV-IXDOHACOSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193112638 852357411 /nfs/dbraw/zinc/35/74/11/852357411.db2.gz XPKLXIMSRIUZPW-FVQBIDKESA-N 2 2 350.463 0.084 20 0 FCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193112638 852357422 /nfs/dbraw/zinc/35/74/22/852357422.db2.gz XPKLXIMSRIUZPW-FVQBIDKESA-N 2 2 350.463 0.084 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1O ZINC001193447899 852429171 /nfs/dbraw/zinc/42/91/71/852429171.db2.gz YYSBHDJNHHTOKO-GVDBMIGSSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1O ZINC001193447899 852429176 /nfs/dbraw/zinc/42/91/76/852429176.db2.gz YYSBHDJNHHTOKO-GVDBMIGSSA-N 2 2 352.454 0.731 20 0 FCADLP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756913 852483075 /nfs/dbraw/zinc/48/30/75/852483075.db2.gz VLEXMDOQEKIQPY-BRWVUGGUSA-N 2 2 351.495 0.411 20 0 FCADLP CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756913 852483079 /nfs/dbraw/zinc/48/30/79/852483079.db2.gz VLEXMDOQEKIQPY-BRWVUGGUSA-N 2 2 351.495 0.411 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193804653 852491546 /nfs/dbraw/zinc/49/15/46/852491546.db2.gz CEXLAFQKSXCAIJ-CHWSQXEVSA-N 2 2 353.385 0.211 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193804653 852491554 /nfs/dbraw/zinc/49/15/54/852491554.db2.gz CEXLAFQKSXCAIJ-CHWSQXEVSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193804653 852491561 /nfs/dbraw/zinc/49/15/61/852491561.db2.gz CEXLAFQKSXCAIJ-CHWSQXEVSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)C1CCC1 ZINC001193804653 852491566 /nfs/dbraw/zinc/49/15/66/852491566.db2.gz CEXLAFQKSXCAIJ-CHWSQXEVSA-N 2 2 353.385 0.211 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892876 852502938 /nfs/dbraw/zinc/50/29/38/852502938.db2.gz VKTAMPSGYCGVKB-DJIMGWMZSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892876 852502943 /nfs/dbraw/zinc/50/29/43/852502943.db2.gz VKTAMPSGYCGVKB-DJIMGWMZSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892876 852502945 /nfs/dbraw/zinc/50/29/45/852502945.db2.gz VKTAMPSGYCGVKB-DJIMGWMZSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892876 852502948 /nfs/dbraw/zinc/50/29/48/852502948.db2.gz VKTAMPSGYCGVKB-DJIMGWMZSA-N 2 2 350.463 0.827 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960932 852516713 /nfs/dbraw/zinc/51/67/13/852516713.db2.gz JJZRDIYDFSWKHU-INMHGKMJSA-N 2 2 352.479 0.793 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960932 852516706 /nfs/dbraw/zinc/51/67/06/852516706.db2.gz JJZRDIYDFSWKHU-INMHGKMJSA-N 2 2 352.479 0.793 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2O)c[nH+]1 ZINC001194064220 852533686 /nfs/dbraw/zinc/53/36/86/852533686.db2.gz WBPQEWZTNWYMNU-HZPDHXFCSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@H]2O)c[nH+]1 ZINC001194064220 852533694 /nfs/dbraw/zinc/53/36/94/852533694.db2.gz WBPQEWZTNWYMNU-HZPDHXFCSA-N 2 2 350.463 0.515 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001194259155 852567913 /nfs/dbraw/zinc/56/79/13/852567913.db2.gz SLAWZHPYAHMQOZ-ZIAGYGMSSA-N 2 2 370.519 0.110 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1O ZINC001194259155 852567896 /nfs/dbraw/zinc/56/78/96/852567896.db2.gz SLAWZHPYAHMQOZ-ZIAGYGMSSA-N 2 2 370.519 0.110 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1O ZINC001194259155 852567907 /nfs/dbraw/zinc/56/79/07/852567907.db2.gz SLAWZHPYAHMQOZ-ZIAGYGMSSA-N 2 2 370.519 0.110 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1O ZINC001194259155 852567926 /nfs/dbraw/zinc/56/79/26/852567926.db2.gz SLAWZHPYAHMQOZ-ZIAGYGMSSA-N 2 2 370.519 0.110 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001194923892 852672562 /nfs/dbraw/zinc/67/25/62/852672562.db2.gz JYKFDXOHBZZYRF-FMKPAKJESA-N 2 2 361.433 0.304 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001194923892 852672565 /nfs/dbraw/zinc/67/25/65/852672565.db2.gz JYKFDXOHBZZYRF-FMKPAKJESA-N 2 2 361.433 0.304 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708679 852816502 /nfs/dbraw/zinc/81/65/02/852816502.db2.gz RTPMBDCETDIILO-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708679 852816511 /nfs/dbraw/zinc/81/65/11/852816511.db2.gz RTPMBDCETDIILO-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@H]1O ZINC001195871662 852837945 /nfs/dbraw/zinc/83/79/45/852837945.db2.gz RWHNYPAOJLEOEQ-HUUCEWRRSA-N 2 2 355.866 0.832 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@H]1O ZINC001195871662 852837953 /nfs/dbraw/zinc/83/79/53/852837953.db2.gz RWHNYPAOJLEOEQ-HUUCEWRRSA-N 2 2 355.866 0.832 20 0 FCADLP C[C@H](C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893224 852843586 /nfs/dbraw/zinc/84/35/86/852843586.db2.gz BRCFUVBXAIJKSK-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@H](C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893224 852843588 /nfs/dbraw/zinc/84/35/88/852843588.db2.gz BRCFUVBXAIJKSK-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@H](C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893224 852843592 /nfs/dbraw/zinc/84/35/92/852843592.db2.gz BRCFUVBXAIJKSK-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP C[C@H](C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)CS(C)(=O)=O ZINC001195893224 852843594 /nfs/dbraw/zinc/84/35/94/852843594.db2.gz BRCFUVBXAIJKSK-BZUAXINKSA-N 2 2 359.536 0.542 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195973525 852859090 /nfs/dbraw/zinc/85/90/90/852859090.db2.gz WMMCDJXEHFTXJC-BFYDXBDKSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001195973525 852859094 /nfs/dbraw/zinc/85/90/94/852859094.db2.gz WMMCDJXEHFTXJC-BFYDXBDKSA-N 2 2 350.463 0.338 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196114775 852893301 /nfs/dbraw/zinc/89/33/01/852893301.db2.gz BPRPJRFQDJVAAD-QLFBSQMISA-N 2 2 356.511 0.183 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196114775 852893307 /nfs/dbraw/zinc/89/33/07/852893307.db2.gz BPRPJRFQDJVAAD-QLFBSQMISA-N 2 2 356.511 0.183 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196200048 852912658 /nfs/dbraw/zinc/91/26/58/852912658.db2.gz QQCJUFQRZXLNLG-HZPDHXFCSA-N 2 2 351.495 0.368 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196200048 852912661 /nfs/dbraw/zinc/91/26/61/852912661.db2.gz QQCJUFQRZXLNLG-HZPDHXFCSA-N 2 2 351.495 0.368 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196200048 852912666 /nfs/dbraw/zinc/91/26/66/852912666.db2.gz QQCJUFQRZXLNLG-HZPDHXFCSA-N 2 2 351.495 0.368 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196200048 852912673 /nfs/dbraw/zinc/91/26/73/852912673.db2.gz QQCJUFQRZXLNLG-HZPDHXFCSA-N 2 2 351.495 0.368 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O)CC(C)(C)C ZINC001196206494 852914171 /nfs/dbraw/zinc/91/41/71/852914171.db2.gz DHDPWBQNKOKJSH-HUUCEWRRSA-N 2 2 371.913 0.676 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O)CC(C)(C)C ZINC001196206494 852914178 /nfs/dbraw/zinc/91/41/78/852914178.db2.gz DHDPWBQNKOKJSH-HUUCEWRRSA-N 2 2 371.913 0.676 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)CC(C)(C)C ZINC001196206494 852914186 /nfs/dbraw/zinc/91/41/86/852914186.db2.gz DHDPWBQNKOKJSH-HUUCEWRRSA-N 2 2 371.913 0.676 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)CC(C)(C)C ZINC001196206494 852914198 /nfs/dbraw/zinc/91/41/98/852914198.db2.gz DHDPWBQNKOKJSH-HUUCEWRRSA-N 2 2 371.913 0.676 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001196519942 852971271 /nfs/dbraw/zinc/97/12/71/852971271.db2.gz XRXNLTUEOLRUSY-HZPDHXFCSA-N 2 2 350.463 0.594 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001196519942 852971274 /nfs/dbraw/zinc/97/12/74/852971274.db2.gz XRXNLTUEOLRUSY-HZPDHXFCSA-N 2 2 350.463 0.594 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001196939399 853035846 /nfs/dbraw/zinc/03/58/46/853035846.db2.gz HMQFHHXIHBZVJM-IAGOWNOFSA-N 2 2 351.422 0.209 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC001196939399 853035853 /nfs/dbraw/zinc/03/58/53/853035853.db2.gz HMQFHHXIHBZVJM-IAGOWNOFSA-N 2 2 351.422 0.209 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001196939960 853036162 /nfs/dbraw/zinc/03/61/62/853036162.db2.gz OTFZYVHBCLIZBB-IAGOWNOFSA-N 2 2 367.515 0.912 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1O ZINC001196939960 853036164 /nfs/dbraw/zinc/03/61/64/853036164.db2.gz OTFZYVHBCLIZBB-IAGOWNOFSA-N 2 2 367.515 0.912 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009421 853048677 /nfs/dbraw/zinc/04/86/77/853048677.db2.gz DFJBAPIYACIHNK-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009421 853048683 /nfs/dbraw/zinc/04/86/83/853048683.db2.gz DFJBAPIYACIHNK-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009421 853048688 /nfs/dbraw/zinc/04/86/88/853048688.db2.gz DFJBAPIYACIHNK-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009421 853048695 /nfs/dbraw/zinc/04/86/95/853048695.db2.gz DFJBAPIYACIHNK-BZUAXINKSA-N 2 2 356.511 0.137 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001197138783 853064877 /nfs/dbraw/zinc/06/48/77/853064877.db2.gz GXPHPDGIRBBEDM-QZTJIDSGSA-N 2 2 353.507 0.696 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001197138783 853064880 /nfs/dbraw/zinc/06/48/80/853064880.db2.gz GXPHPDGIRBBEDM-QZTJIDSGSA-N 2 2 353.507 0.696 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001197138420 853064990 /nfs/dbraw/zinc/06/49/90/853064990.db2.gz BELHLMWCQXXIDG-BFHYXJOUSA-N 2 2 367.412 0.193 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001197138420 853064993 /nfs/dbraw/zinc/06/49/93/853064993.db2.gz BELHLMWCQXXIDG-BFHYXJOUSA-N 2 2 367.412 0.193 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197841201 853172828 /nfs/dbraw/zinc/17/28/28/853172828.db2.gz FNFKUANCQVSSMM-NVXWUHKLSA-N 2 2 350.463 0.739 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197841201 853172834 /nfs/dbraw/zinc/17/28/34/853172834.db2.gz FNFKUANCQVSSMM-NVXWUHKLSA-N 2 2 350.463 0.739 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925969 853187637 /nfs/dbraw/zinc/18/76/37/853187637.db2.gz AFOASKVMJJOMNV-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197925969 853187642 /nfs/dbraw/zinc/18/76/42/853187642.db2.gz AFOASKVMJJOMNV-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCCS(C)(=O)=O)cc1 ZINC001198006994 853204315 /nfs/dbraw/zinc/20/43/15/853204315.db2.gz GZCQFNRNEITJJU-UHFFFAOYSA-N 2 2 355.504 0.845 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCCS(C)(=O)=O)cc1 ZINC001198006994 853204325 /nfs/dbraw/zinc/20/43/25/853204325.db2.gz GZCQFNRNEITJJU-UHFFFAOYSA-N 2 2 355.504 0.845 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001198021381 853207118 /nfs/dbraw/zinc/20/71/18/853207118.db2.gz ZPMKYQKLTCNADL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001198021381 853207123 /nfs/dbraw/zinc/20/71/23/853207123.db2.gz ZPMKYQKLTCNADL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001198021381 853207128 /nfs/dbraw/zinc/20/71/28/853207128.db2.gz ZPMKYQKLTCNADL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001198021381 853207132 /nfs/dbraw/zinc/20/71/32/853207132.db2.gz ZPMKYQKLTCNADL-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CC1 ZINC001198293082 853246492 /nfs/dbraw/zinc/24/64/92/853246492.db2.gz WXYMAXAHYROXNY-BRWVUGGUSA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CC1 ZINC001198293082 853246500 /nfs/dbraw/zinc/24/65/00/853246500.db2.gz WXYMAXAHYROXNY-BRWVUGGUSA-N 2 2 350.463 0.329 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198687962 853301612 /nfs/dbraw/zinc/30/16/12/853301612.db2.gz CBZQYXZVUHDLQW-NWANDNLSSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198687962 853301621 /nfs/dbraw/zinc/30/16/21/853301621.db2.gz CBZQYXZVUHDLQW-NWANDNLSSA-N 2 2 368.503 0.081 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104832 853372089 /nfs/dbraw/zinc/37/20/89/853372089.db2.gz VFQOLUFJOJBDNX-RBSFLKMASA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104832 853372100 /nfs/dbraw/zinc/37/21/00/853372100.db2.gz VFQOLUFJOJBDNX-RBSFLKMASA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104832 853372114 /nfs/dbraw/zinc/37/21/14/853372114.db2.gz VFQOLUFJOJBDNX-RBSFLKMASA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104832 853372128 /nfs/dbraw/zinc/37/21/28/853372128.db2.gz VFQOLUFJOJBDNX-RBSFLKMASA-N 2 2 356.511 0.181 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001199958135 853468845 /nfs/dbraw/zinc/46/88/45/853468845.db2.gz CIJCMZQSUOTCRC-KRWDZBQOSA-N 2 2 363.531 0.842 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001199958135 853468851 /nfs/dbraw/zinc/46/88/51/853468851.db2.gz CIJCMZQSUOTCRC-KRWDZBQOSA-N 2 2 363.531 0.842 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=S)NC(C)(C)C)CC2)C1=O ZINC001200905072 853512578 /nfs/dbraw/zinc/51/25/78/853512578.db2.gz PCUQIRSWLWATBS-UHFFFAOYSA-N 2 2 369.579 0.830 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=S)NC(C)(C)C)CC2)C1=O ZINC001200905072 853512591 /nfs/dbraw/zinc/51/25/91/853512591.db2.gz PCUQIRSWLWATBS-UHFFFAOYSA-N 2 2 369.579 0.830 20 0 FCADLP C[NH+]1CCN(c2cc(NS(=O)(=O)c3ccc(O)c(N)c3)cc[nH+]2)CC1 ZINC001201666219 853536889 /nfs/dbraw/zinc/53/68/89/853536889.db2.gz NSJRNCNDYMYTMW-UHFFFAOYSA-N 2 2 363.443 0.922 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)nn3)C[C@@H]21 ZINC001278793975 862483826 /nfs/dbraw/zinc/48/38/26/862483826.db2.gz KQKHTBIUALCKSI-KBPBESRZSA-N 2 2 359.396 0.942 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)nn3)C[C@@H]21 ZINC001278793975 862483834 /nfs/dbraw/zinc/48/38/34/862483834.db2.gz KQKHTBIUALCKSI-KBPBESRZSA-N 2 2 359.396 0.942 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206585710 853702017 /nfs/dbraw/zinc/70/20/17/853702017.db2.gz BUYPYULRHSLPDT-JHJVBQTASA-N 2 2 364.412 0.586 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001206585710 853702021 /nfs/dbraw/zinc/70/20/21/853702021.db2.gz BUYPYULRHSLPDT-JHJVBQTASA-N 2 2 364.412 0.586 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206585710 853702027 /nfs/dbraw/zinc/70/20/27/853702027.db2.gz BUYPYULRHSLPDT-JHJVBQTASA-N 2 2 364.412 0.586 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206585710 853702030 /nfs/dbraw/zinc/70/20/30/853702030.db2.gz BUYPYULRHSLPDT-JHJVBQTASA-N 2 2 364.412 0.586 20 0 FCADLP Cc1cc(N2CC[NH+](CC3CCN(S(C)(=O)=O)CC3)CC2)nc(C)[nH+]1 ZINC001207446863 853815192 /nfs/dbraw/zinc/81/51/92/853815192.db2.gz PKWQGEIDJPQDLF-UHFFFAOYSA-N 2 2 367.519 0.887 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682638 853840842 /nfs/dbraw/zinc/84/08/42/853840842.db2.gz RQUBULKUAJISFR-HZPDHXFCSA-N 2 2 371.547 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001207682638 853840845 /nfs/dbraw/zinc/84/08/45/853840845.db2.gz RQUBULKUAJISFR-HZPDHXFCSA-N 2 2 371.547 0.734 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858916 853864675 /nfs/dbraw/zinc/86/46/75/853864675.db2.gz BZJMYKSTWQUOJD-HZPDHXFCSA-N 2 2 371.547 0.876 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858916 853864679 /nfs/dbraw/zinc/86/46/79/853864679.db2.gz BZJMYKSTWQUOJD-HZPDHXFCSA-N 2 2 371.547 0.876 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422435 853932056 /nfs/dbraw/zinc/93/20/56/853932056.db2.gz PMFSFUVPRMCFLR-UKRRQHHQSA-N 2 2 350.463 0.870 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422435 853932058 /nfs/dbraw/zinc/93/20/58/853932058.db2.gz PMFSFUVPRMCFLR-UKRRQHHQSA-N 2 2 350.463 0.870 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559101 853951802 /nfs/dbraw/zinc/95/18/02/853951802.db2.gz BYQBWYTXQGNXHK-IIAWOOMASA-N 2 2 350.463 0.929 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559101 853951809 /nfs/dbraw/zinc/95/18/09/853951809.db2.gz BYQBWYTXQGNXHK-IIAWOOMASA-N 2 2 350.463 0.929 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208597071 853958650 /nfs/dbraw/zinc/95/86/50/853958650.db2.gz IHNJTNYSDNIRGD-ARFHVFGLSA-N 2 2 352.523 0.927 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001208597071 853958655 /nfs/dbraw/zinc/95/86/55/853958655.db2.gz IHNJTNYSDNIRGD-ARFHVFGLSA-N 2 2 352.523 0.927 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208597071 853958661 /nfs/dbraw/zinc/95/86/61/853958661.db2.gz IHNJTNYSDNIRGD-ARFHVFGLSA-N 2 2 352.523 0.927 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208597071 853958666 /nfs/dbraw/zinc/95/86/66/853958666.db2.gz IHNJTNYSDNIRGD-ARFHVFGLSA-N 2 2 352.523 0.927 20 0 FCADLP C[NH+]1CCN(C2C[NH+](C[C@H]3COCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208985283 853987326 /nfs/dbraw/zinc/98/73/26/853987326.db2.gz SDRQPJXWTJKEOE-INIZCTEOSA-N 2 2 354.495 0.554 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515275 854034003 /nfs/dbraw/zinc/03/40/03/854034003.db2.gz UKVHNLYMJXFSDT-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515275 854034011 /nfs/dbraw/zinc/03/40/11/854034011.db2.gz UKVHNLYMJXFSDT-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001209642074 854043899 /nfs/dbraw/zinc/04/38/99/854043899.db2.gz AUADRAJYDUCAME-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001209642074 854043909 /nfs/dbraw/zinc/04/39/09/854043909.db2.gz AUADRAJYDUCAME-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001209731291 854049747 /nfs/dbraw/zinc/04/97/47/854049747.db2.gz CDTDGCYLCSUEPD-NVXWUHKLSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001209731291 854049752 /nfs/dbraw/zinc/04/97/52/854049752.db2.gz CDTDGCYLCSUEPD-NVXWUHKLSA-N 2 2 350.507 0.681 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285500 854095754 /nfs/dbraw/zinc/09/57/54/854095754.db2.gz ZMMBTMAKBUZAOG-HYVNUMGLSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210285500 854095759 /nfs/dbraw/zinc/09/57/59/854095759.db2.gz ZMMBTMAKBUZAOG-HYVNUMGLSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330367 854101383 /nfs/dbraw/zinc/10/13/83/854101383.db2.gz WLOFSMCNXMDTSA-HUUCEWRRSA-N 2 2 369.531 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210330367 854101386 /nfs/dbraw/zinc/10/13/86/854101386.db2.gz WLOFSMCNXMDTSA-HUUCEWRRSA-N 2 2 369.531 0.344 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1C ZINC001210603249 854118896 /nfs/dbraw/zinc/11/88/96/854118896.db2.gz FJRYSTORSDDZKP-UKPHBRMFSA-N 2 2 350.463 0.893 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1C ZINC001210603249 854118902 /nfs/dbraw/zinc/11/89/02/854118902.db2.gz FJRYSTORSDDZKP-UKPHBRMFSA-N 2 2 350.463 0.893 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054897 854151842 /nfs/dbraw/zinc/15/18/42/854151842.db2.gz XSLXUDZLRIGILZ-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054897 854151846 /nfs/dbraw/zinc/15/18/46/854151846.db2.gz XSLXUDZLRIGILZ-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212413993 854469606 /nfs/dbraw/zinc/46/96/06/854469606.db2.gz AVRAUWBYCATVQT-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212413993 854469607 /nfs/dbraw/zinc/46/96/07/854469607.db2.gz AVRAUWBYCATVQT-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212413993 854469610 /nfs/dbraw/zinc/46/96/10/854469610.db2.gz AVRAUWBYCATVQT-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212413993 854469612 /nfs/dbraw/zinc/46/96/12/854469612.db2.gz AVRAUWBYCATVQT-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001212483706 854497117 /nfs/dbraw/zinc/49/71/17/854497117.db2.gz OVWBKLIMCDMERS-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001212483706 854497120 /nfs/dbraw/zinc/49/71/20/854497120.db2.gz OVWBKLIMCDMERS-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001212483706 854497121 /nfs/dbraw/zinc/49/71/21/854497121.db2.gz OVWBKLIMCDMERS-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001212483706 854497125 /nfs/dbraw/zinc/49/71/25/854497125.db2.gz OVWBKLIMCDMERS-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486868 854498342 /nfs/dbraw/zinc/49/83/42/854498342.db2.gz HFNRSFDSPZIFNX-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486868 854498349 /nfs/dbraw/zinc/49/83/49/854498349.db2.gz HFNRSFDSPZIFNX-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203484 854531731 /nfs/dbraw/zinc/53/17/31/854531731.db2.gz SURMKJDFOCMQPZ-ARFHVFGLSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203484 854531736 /nfs/dbraw/zinc/53/17/36/854531736.db2.gz SURMKJDFOCMQPZ-ARFHVFGLSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204576 854532224 /nfs/dbraw/zinc/53/22/24/854532224.db2.gz RYYBKNUVECPUCE-ARFHVFGLSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204576 854532229 /nfs/dbraw/zinc/53/22/29/854532229.db2.gz RYYBKNUVECPUCE-ARFHVFGLSA-N 2 2 350.463 0.737 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213346377 854583452 /nfs/dbraw/zinc/58/34/52/854583452.db2.gz KGWUPFWJIADSGN-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001213346377 854583459 /nfs/dbraw/zinc/58/34/59/854583459.db2.gz KGWUPFWJIADSGN-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346549 854583708 /nfs/dbraw/zinc/58/37/08/854583708.db2.gz RSQLXXCBHPBJLA-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346549 854583712 /nfs/dbraw/zinc/58/37/12/854583712.db2.gz RSQLXXCBHPBJLA-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374789 854593518 /nfs/dbraw/zinc/59/35/18/854593518.db2.gz XVCCKTBQUDNROW-NUEKZKHPSA-N 2 2 356.511 0.447 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374789 854593524 /nfs/dbraw/zinc/59/35/24/854593524.db2.gz XVCCKTBQUDNROW-NUEKZKHPSA-N 2 2 356.511 0.447 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434566 854614183 /nfs/dbraw/zinc/61/41/83/854614183.db2.gz HGYZJVDYBAHVGS-BRWVUGGUSA-N 2 2 351.495 0.856 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC)[NH+](CC)CC ZINC001213434566 854614185 /nfs/dbraw/zinc/61/41/85/854614185.db2.gz HGYZJVDYBAHVGS-BRWVUGGUSA-N 2 2 351.495 0.856 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434820 854614397 /nfs/dbraw/zinc/61/43/97/854614397.db2.gz MKAIELBCJMIEJG-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC)[NH+](CC)CC ZINC001213434820 854614403 /nfs/dbraw/zinc/61/44/03/854614403.db2.gz MKAIELBCJMIEJG-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440552 854617312 /nfs/dbraw/zinc/61/73/12/854617312.db2.gz UIPUYBRYVXOGHG-USXIJHARSA-N 2 2 350.463 0.606 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001213440552 854617321 /nfs/dbraw/zinc/61/73/21/854617321.db2.gz UIPUYBRYVXOGHG-USXIJHARSA-N 2 2 350.463 0.606 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671815 854708805 /nfs/dbraw/zinc/70/88/05/854708805.db2.gz SECMDNJZQFPRLR-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671815 854708809 /nfs/dbraw/zinc/70/88/09/854708809.db2.gz SECMDNJZQFPRLR-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671815 854708812 /nfs/dbraw/zinc/70/88/12/854708812.db2.gz SECMDNJZQFPRLR-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213671815 854708815 /nfs/dbraw/zinc/70/88/15/854708815.db2.gz SECMDNJZQFPRLR-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1)C1CC1 ZINC001213671711 854708838 /nfs/dbraw/zinc/70/88/38/854708838.db2.gz QTFMPZHZNWFFTE-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1)C1CC1 ZINC001213671711 854708841 /nfs/dbraw/zinc/70/88/41/854708841.db2.gz QTFMPZHZNWFFTE-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1)C1CC1 ZINC001213671711 854708843 /nfs/dbraw/zinc/70/88/43/854708843.db2.gz QTFMPZHZNWFFTE-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1)C1CC1 ZINC001213671711 854708846 /nfs/dbraw/zinc/70/88/46/854708846.db2.gz QTFMPZHZNWFFTE-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213719201 854734205 /nfs/dbraw/zinc/73/42/05/854734205.db2.gz RSURZLVRFNDSOL-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213719201 854734212 /nfs/dbraw/zinc/73/42/12/854734212.db2.gz RSURZLVRFNDSOL-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001213719201 854734218 /nfs/dbraw/zinc/73/42/18/854734218.db2.gz RSURZLVRFNDSOL-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001213719201 854734229 /nfs/dbraw/zinc/73/42/29/854734229.db2.gz RSURZLVRFNDSOL-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213757889 854753458 /nfs/dbraw/zinc/75/34/58/854753458.db2.gz WLTZCOAKBFUAGN-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213757889 854753466 /nfs/dbraw/zinc/75/34/66/854753466.db2.gz WLTZCOAKBFUAGN-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213757889 854753474 /nfs/dbraw/zinc/75/34/74/854753474.db2.gz WLTZCOAKBFUAGN-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001213757889 854753482 /nfs/dbraw/zinc/75/34/82/854753482.db2.gz WLTZCOAKBFUAGN-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759301 854754594 /nfs/dbraw/zinc/75/45/94/854754594.db2.gz FXLQWTKURKYQGW-ARFHVFGLSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759301 854754598 /nfs/dbraw/zinc/75/45/98/854754598.db2.gz FXLQWTKURKYQGW-ARFHVFGLSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)C[C@H]1OC ZINC001213759301 854754606 /nfs/dbraw/zinc/75/46/06/854754606.db2.gz FXLQWTKURKYQGW-ARFHVFGLSA-N 2 2 356.511 0.401 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759435 854754741 /nfs/dbraw/zinc/75/47/41/854754741.db2.gz LGHSXTPYWFQNHD-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759435 854754742 /nfs/dbraw/zinc/75/47/42/854754742.db2.gz LGHSXTPYWFQNHD-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759435 854754752 /nfs/dbraw/zinc/75/47/52/854754752.db2.gz LGHSXTPYWFQNHD-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213759250 854754778 /nfs/dbraw/zinc/75/47/78/854754778.db2.gz BXMXYESFRXOFOZ-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213759250 854754782 /nfs/dbraw/zinc/75/47/82/854754782.db2.gz BXMXYESFRXOFOZ-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213759250 854754789 /nfs/dbraw/zinc/75/47/89/854754789.db2.gz BXMXYESFRXOFOZ-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213767421 854760450 /nfs/dbraw/zinc/76/04/50/854760450.db2.gz SGGKLBQJTRQIMD-HUUCEWRRSA-N 2 2 370.519 0.375 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213767421 854760455 /nfs/dbraw/zinc/76/04/55/854760455.db2.gz SGGKLBQJTRQIMD-HUUCEWRRSA-N 2 2 370.519 0.375 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213767421 854760458 /nfs/dbraw/zinc/76/04/58/854760458.db2.gz SGGKLBQJTRQIMD-HUUCEWRRSA-N 2 2 370.519 0.375 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1OC ZINC001213767421 854760464 /nfs/dbraw/zinc/76/04/64/854760464.db2.gz SGGKLBQJTRQIMD-HUUCEWRRSA-N 2 2 370.519 0.375 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802399 854774871 /nfs/dbraw/zinc/77/48/71/854774871.db2.gz RAQCYXLEETXZST-IAGOWNOFSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802399 854774873 /nfs/dbraw/zinc/77/48/73/854774873.db2.gz RAQCYXLEETXZST-IAGOWNOFSA-N 2 2 350.463 0.737 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974044 854851158 /nfs/dbraw/zinc/85/11/58/854851158.db2.gz FPRDKISORKLGQG-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001213974044 854851163 /nfs/dbraw/zinc/85/11/63/854851163.db2.gz FPRDKISORKLGQG-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977510 854852108 /nfs/dbraw/zinc/85/21/08/854852108.db2.gz JLNLWSIMSUNHNN-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977510 854852117 /nfs/dbraw/zinc/85/21/17/854852117.db2.gz JLNLWSIMSUNHNN-IAGOWNOFSA-N 2 2 350.463 0.905 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672626 854989820 /nfs/dbraw/zinc/98/98/20/854989820.db2.gz QLVYXQHVLHZWLP-FVQBIDKESA-N 2 2 350.463 0.206 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001214814197 855018100 /nfs/dbraw/zinc/01/81/00/855018100.db2.gz JTXXKJDOACAXGO-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO[C@H]1CCOC1 ZINC001214814197 855018104 /nfs/dbraw/zinc/01/81/04/855018104.db2.gz JTXXKJDOACAXGO-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)Nc1nccs1 ZINC001215681279 855135763 /nfs/dbraw/zinc/13/57/63/855135763.db2.gz UCYOGQLWGGCTKI-NTZNESFSSA-N 2 2 362.459 0.872 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(=O)NCC(F)(F)F ZINC001215685203 855136561 /nfs/dbraw/zinc/13/65/61/855136561.db2.gz OPNHMDDXOHUJIL-CKYFFXLPSA-N 2 2 361.368 0.456 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1nncs1 ZINC001215934327 855157998 /nfs/dbraw/zinc/15/79/98/855157998.db2.gz OAYZBJLYHWZDOM-HUUCEWRRSA-N 2 2 367.519 0.977 20 0 FCADLP CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218546922 855437702 /nfs/dbraw/zinc/43/77/02/855437702.db2.gz DMRQAAOQYYAUGJ-UWVGGRQHSA-N 2 2 368.459 0.420 20 0 FCADLP Nc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(I)c1 ZINC001218679904 855463830 /nfs/dbraw/zinc/46/38/30/855463830.db2.gz PSHKDHMFNMRJGV-VIFPVBQESA-N 2 2 372.170 0.500 20 0 FCADLP CCC[N@@H+]1CCc2c(N)sc(NC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)c2C1 ZINC001218753730 855475491 /nfs/dbraw/zinc/47/54/91/855475491.db2.gz JUEJRMUUAXLXAI-JTQLQIEISA-N 2 2 350.452 0.120 20 0 FCADLP CCC[N@H+]1CCc2c(N)sc(NC(=O)[C@@H]([NH3+])Cc3nn[nH]n3)c2C1 ZINC001218753730 855475494 /nfs/dbraw/zinc/47/54/94/855475494.db2.gz JUEJRMUUAXLXAI-JTQLQIEISA-N 2 2 350.452 0.120 20 0 FCADLP Nc1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)cc2)cc1 ZINC001218864409 855487286 /nfs/dbraw/zinc/48/72/86/855487286.db2.gz PNQXRPLZJKRCON-LRDDRELGSA-N 2 2 360.439 0.729 20 0 FCADLP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218879810 855489894 /nfs/dbraw/zinc/48/98/94/855489894.db2.gz IJOHVNWVYGSDON-LBPRGKRZSA-N 2 2 352.385 0.915 20 0 FCADLP CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218885803 855491134 /nfs/dbraw/zinc/49/11/34/855491134.db2.gz WDXMIRIQLAPYAZ-STQMWFEESA-N 2 2 370.475 0.211 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044012 855524015 /nfs/dbraw/zinc/52/40/15/855524015.db2.gz MVRPQOQZCAGPBE-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044012 855524016 /nfs/dbraw/zinc/52/40/16/855524016.db2.gz MVRPQOQZCAGPBE-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044012 855524022 /nfs/dbraw/zinc/52/40/22/855524022.db2.gz MVRPQOQZCAGPBE-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044012 855524028 /nfs/dbraw/zinc/52/40/28/855524028.db2.gz MVRPQOQZCAGPBE-GVDBMIGSSA-N 2 2 355.479 0.044 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c(OC)n1 ZINC001279158701 862703045 /nfs/dbraw/zinc/70/30/45/862703045.db2.gz PUKIKIGTQMUZLQ-IYBDPMFKSA-N 2 2 350.463 0.545 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c(OC)n1 ZINC001279158701 862703058 /nfs/dbraw/zinc/70/30/58/862703058.db2.gz PUKIKIGTQMUZLQ-IYBDPMFKSA-N 2 2 350.463 0.545 20 0 FCADLP CC(=O)OC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219454401 855676979 /nfs/dbraw/zinc/67/69/79/855676979.db2.gz TVQSHXAGJVQPOR-KBPBESRZSA-N 2 2 357.357 0.892 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001219774689 855808646 /nfs/dbraw/zinc/80/86/46/855808646.db2.gz YMVPKGWLNDKUPA-SJORKVTESA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001219774689 855808647 /nfs/dbraw/zinc/80/86/47/855808647.db2.gz YMVPKGWLNDKUPA-SJORKVTESA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001219774689 855808648 /nfs/dbraw/zinc/80/86/48/855808648.db2.gz YMVPKGWLNDKUPA-SJORKVTESA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001219774689 855808650 /nfs/dbraw/zinc/80/86/50/855808650.db2.gz YMVPKGWLNDKUPA-SJORKVTESA-N 2 2 350.463 0.710 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219874618 855856141 /nfs/dbraw/zinc/85/61/41/855856141.db2.gz AXRKFLISBQLNRK-OAGGEKHMSA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001219874618 855856147 /nfs/dbraw/zinc/85/61/47/855856147.db2.gz AXRKFLISBQLNRK-OAGGEKHMSA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922978 855880002 /nfs/dbraw/zinc/88/00/02/855880002.db2.gz RLDZVSSLOFWMEX-ILXRZTDVSA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922978 855880007 /nfs/dbraw/zinc/88/00/07/855880007.db2.gz RLDZVSSLOFWMEX-ILXRZTDVSA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922978 855880009 /nfs/dbraw/zinc/88/00/09/855880009.db2.gz RLDZVSSLOFWMEX-ILXRZTDVSA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922978 855880013 /nfs/dbraw/zinc/88/00/13/855880013.db2.gz RLDZVSSLOFWMEX-ILXRZTDVSA-N 2 2 354.495 0.065 20 0 FCADLP Cc1nn(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C)c1Br ZINC001219997216 855911289 /nfs/dbraw/zinc/91/12/89/855911289.db2.gz PBHSJPVHWOQHPE-GYSYKLTISA-N 2 2 356.268 0.600 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220051593 855933703 /nfs/dbraw/zinc/93/37/03/855933703.db2.gz IHRLEFKRWFMMNZ-MCIONIFRSA-N 2 2 356.417 0.949 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220051593 855933706 /nfs/dbraw/zinc/93/37/06/855933706.db2.gz IHRLEFKRWFMMNZ-MCIONIFRSA-N 2 2 356.417 0.949 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCC1 ZINC001220052016 855933724 /nfs/dbraw/zinc/93/37/24/855933724.db2.gz OZRYKTSJCHVXSV-PMPSAXMXSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CCC1 ZINC001220052016 855933727 /nfs/dbraw/zinc/93/37/27/855933727.db2.gz OZRYKTSJCHVXSV-PMPSAXMXSA-N 2 2 350.463 0.329 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053652 855934238 /nfs/dbraw/zinc/93/42/38/855934238.db2.gz ZGGVENVHKJKQKO-KGLIPLIRSA-N 2 2 363.487 0.522 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053652 855934248 /nfs/dbraw/zinc/93/42/48/855934248.db2.gz ZGGVENVHKJKQKO-KGLIPLIRSA-N 2 2 363.487 0.522 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220053276 855934592 /nfs/dbraw/zinc/93/45/92/855934592.db2.gz CTRORRFRBBLHQB-CVEARBPZSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220053276 855934596 /nfs/dbraw/zinc/93/45/96/855934596.db2.gz CTRORRFRBBLHQB-CVEARBPZSA-N 2 2 350.463 0.331 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001220185382 855998234 /nfs/dbraw/zinc/99/82/34/855998234.db2.gz GVUXVIAIEQLYNC-HIFRSBDPSA-N 2 2 356.417 0.977 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC1 ZINC001220231006 856023823 /nfs/dbraw/zinc/02/38/23/856023823.db2.gz WTKCLLAQRGIPDZ-KGLIPLIRSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC1 ZINC001220231006 856023830 /nfs/dbraw/zinc/02/38/30/856023830.db2.gz WTKCLLAQRGIPDZ-KGLIPLIRSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@@H]1O ZINC001220273770 856039501 /nfs/dbraw/zinc/03/95/01/856039501.db2.gz RWHNYPAOJLEOEQ-CABCVRRESA-N 2 2 355.866 0.832 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@@H]1O ZINC001220273770 856039507 /nfs/dbraw/zinc/03/95/07/856039507.db2.gz RWHNYPAOJLEOEQ-CABCVRRESA-N 2 2 355.866 0.832 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328488 856067820 /nfs/dbraw/zinc/06/78/20/856067820.db2.gz HYPLZWBFSRFUOY-IMJJTQAJSA-N 2 2 350.463 0.806 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328488 856067830 /nfs/dbraw/zinc/06/78/30/856067830.db2.gz HYPLZWBFSRFUOY-IMJJTQAJSA-N 2 2 350.463 0.806 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359298 856082418 /nfs/dbraw/zinc/08/24/18/856082418.db2.gz HYHCXNZMDCJQHB-UPJWGTAASA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359298 856082427 /nfs/dbraw/zinc/08/24/27/856082427.db2.gz HYHCXNZMDCJQHB-UPJWGTAASA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359298 856082438 /nfs/dbraw/zinc/08/24/38/856082438.db2.gz HYHCXNZMDCJQHB-UPJWGTAASA-N 2 2 367.412 0.193 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2O)C1 ZINC001220359298 856082445 /nfs/dbraw/zinc/08/24/45/856082445.db2.gz HYHCXNZMDCJQHB-UPJWGTAASA-N 2 2 367.412 0.193 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369764 856088917 /nfs/dbraw/zinc/08/89/17/856088917.db2.gz PUHLLATWWDYTRY-KFWWJZLASA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369764 856088925 /nfs/dbraw/zinc/08/89/25/856088925.db2.gz PUHLLATWWDYTRY-KFWWJZLASA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369764 856088930 /nfs/dbraw/zinc/08/89/30/856088930.db2.gz PUHLLATWWDYTRY-KFWWJZLASA-N 2 2 356.511 0.170 20 0 FCADLP CCCC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369764 856088935 /nfs/dbraw/zinc/08/89/35/856088935.db2.gz PUHLLATWWDYTRY-KFWWJZLASA-N 2 2 356.511 0.170 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C2)o1 ZINC001220376349 856095865 /nfs/dbraw/zinc/09/58/65/856095865.db2.gz WNSDCVUCJJDCQL-ILXRZTDVSA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C2)o1 ZINC001220376349 856095869 /nfs/dbraw/zinc/09/58/69/856095869.db2.gz WNSDCVUCJJDCQL-ILXRZTDVSA-N 2 2 352.479 0.937 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001220380005 856096929 /nfs/dbraw/zinc/09/69/29/856096929.db2.gz MOMZHDAUESKFJB-PMPSAXMXSA-N 2 2 353.438 0.706 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O)[NH+](C)C ZINC001220380005 856096932 /nfs/dbraw/zinc/09/69/32/856096932.db2.gz MOMZHDAUESKFJB-PMPSAXMXSA-N 2 2 353.438 0.706 20 0 FCADLP CSc1ccc(OCCNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001220422728 856118585 /nfs/dbraw/zinc/11/85/85/856118585.db2.gz LUZVEGFZWOJURG-INIZCTEOSA-N 2 2 352.504 0.654 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476629 856145364 /nfs/dbraw/zinc/14/53/64/856145364.db2.gz POYORNGVXJFNHS-ZNMIVQPWSA-N 2 2 363.449 0.694 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O)[NH+]1CCCCCC1 ZINC001220476629 856145369 /nfs/dbraw/zinc/14/53/69/856145369.db2.gz POYORNGVXJFNHS-ZNMIVQPWSA-N 2 2 363.449 0.694 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001220547953 856177910 /nfs/dbraw/zinc/17/79/10/856177910.db2.gz OZLGJQDZGDDMDH-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001220547953 856177918 /nfs/dbraw/zinc/17/79/18/856177918.db2.gz OZLGJQDZGDDMDH-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220550590 856179980 /nfs/dbraw/zinc/17/99/80/856179980.db2.gz ZXFRFSUHBHQEDI-SJORKVTESA-N 2 2 350.463 0.560 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220550590 856179986 /nfs/dbraw/zinc/17/99/86/856179986.db2.gz ZXFRFSUHBHQEDI-SJORKVTESA-N 2 2 350.463 0.560 20 0 FCADLP COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(Br)c1 ZINC001220846732 856335052 /nfs/dbraw/zinc/33/50/52/856335052.db2.gz IEWFSHPJOBLPDE-PWSUYJOCSA-N 2 2 356.220 0.541 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCC1 ZINC001220888176 856359270 /nfs/dbraw/zinc/35/92/70/856359270.db2.gz DGBMKDOUVLGEBS-IXDOHACOSA-N 2 2 350.463 0.329 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCC1 ZINC001220888176 856359273 /nfs/dbraw/zinc/35/92/73/856359273.db2.gz DGBMKDOUVLGEBS-IXDOHACOSA-N 2 2 350.463 0.329 20 0 FCADLP [NH3+]C[C@@H](O)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001220917318 856372618 /nfs/dbraw/zinc/37/26/18/856372618.db2.gz VUYVKEKQTUDXIG-KBPBESRZSA-N 2 2 356.264 0.849 20 0 FCADLP [NH3+]C[C@@H](O)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001220917318 856372625 /nfs/dbraw/zinc/37/26/25/856372625.db2.gz VUYVKEKQTUDXIG-KBPBESRZSA-N 2 2 356.264 0.849 20 0 FCADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001220918903 856374403 /nfs/dbraw/zinc/37/44/03/856374403.db2.gz KZLDXXJMTNCOEB-KKUMJFAQSA-N 2 2 367.291 0.686 20 0 FCADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001220918903 856374415 /nfs/dbraw/zinc/37/44/15/856374415.db2.gz KZLDXXJMTNCOEB-KKUMJFAQSA-N 2 2 367.291 0.686 20 0 FCADLP CS(=O)(=O)N1CCC(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1 ZINC001220926282 856377288 /nfs/dbraw/zinc/37/72/88/856377288.db2.gz FIENRLZWADWWKV-HNNXBMFYSA-N 2 2 354.476 0.047 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cs1 ZINC001220986149 856409112 /nfs/dbraw/zinc/40/91/12/856409112.db2.gz UQKQIJUUQFXOLL-XYPHTWIQSA-N 2 2 367.515 0.686 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cs1 ZINC001220986149 856409114 /nfs/dbraw/zinc/40/91/14/856409114.db2.gz UQKQIJUUQFXOLL-XYPHTWIQSA-N 2 2 367.515 0.686 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091395 856458297 /nfs/dbraw/zinc/45/82/97/856458297.db2.gz MXZVAEZNLPWJJR-OAGGEKHMSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091395 856458304 /nfs/dbraw/zinc/45/83/04/856458304.db2.gz MXZVAEZNLPWJJR-OAGGEKHMSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091395 856458308 /nfs/dbraw/zinc/45/83/08/856458308.db2.gz MXZVAEZNLPWJJR-OAGGEKHMSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091395 856458313 /nfs/dbraw/zinc/45/83/13/856458313.db2.gz MXZVAEZNLPWJJR-OAGGEKHMSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093627 856459824 /nfs/dbraw/zinc/45/98/24/856459824.db2.gz RUVVGIKKGKFAQA-CVEARBPZSA-N 2 2 356.511 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093627 856459829 /nfs/dbraw/zinc/45/98/29/856459829.db2.gz RUVVGIKKGKFAQA-CVEARBPZSA-N 2 2 356.511 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093627 856459834 /nfs/dbraw/zinc/45/98/34/856459834.db2.gz RUVVGIKKGKFAQA-CVEARBPZSA-N 2 2 356.511 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1)C(C)C ZINC001221093627 856459839 /nfs/dbraw/zinc/45/98/39/856459839.db2.gz RUVVGIKKGKFAQA-CVEARBPZSA-N 2 2 356.511 0.133 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093796 856460577 /nfs/dbraw/zinc/46/05/77/856460577.db2.gz XQRXRYZAQOJRJC-CVEARBPZSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093796 856460581 /nfs/dbraw/zinc/46/05/81/856460581.db2.gz XQRXRYZAQOJRJC-CVEARBPZSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093796 856460583 /nfs/dbraw/zinc/46/05/83/856460583.db2.gz XQRXRYZAQOJRJC-CVEARBPZSA-N 2 2 356.511 0.137 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093796 856460587 /nfs/dbraw/zinc/46/05/87/856460587.db2.gz XQRXRYZAQOJRJC-CVEARBPZSA-N 2 2 356.511 0.137 20 0 FCADLP COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(Br)cc1 ZINC001221364046 856554655 /nfs/dbraw/zinc/55/46/55/856554655.db2.gz DJJULIVVNZHRKK-AGIUHOORSA-N 2 2 370.247 0.859 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)c[nH+]1 ZINC001221640605 856634832 /nfs/dbraw/zinc/63/48/32/856634832.db2.gz VCDJWNOUNRDPLR-HZPDHXFCSA-N 2 2 350.463 0.468 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)c[nH+]1 ZINC001221640605 856634836 /nfs/dbraw/zinc/63/48/36/856634836.db2.gz VCDJWNOUNRDPLR-HZPDHXFCSA-N 2 2 350.463 0.468 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761854 856674759 /nfs/dbraw/zinc/67/47/59/856674759.db2.gz GCSCAHXVRDLZLL-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761854 856674761 /nfs/dbraw/zinc/67/47/61/856674761.db2.gz GCSCAHXVRDLZLL-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761854 856674764 /nfs/dbraw/zinc/67/47/64/856674764.db2.gz GCSCAHXVRDLZLL-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC)C[C@H]32)C1 ZINC001221761854 856674765 /nfs/dbraw/zinc/67/47/65/856674765.db2.gz GCSCAHXVRDLZLL-BRWVUGGUSA-N 2 2 350.507 0.777 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771974 856676875 /nfs/dbraw/zinc/67/68/75/856676875.db2.gz KRXJMQHWDBGTEM-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771974 856676878 /nfs/dbraw/zinc/67/68/78/856676878.db2.gz KRXJMQHWDBGTEM-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221776778 856678927 /nfs/dbraw/zinc/67/89/27/856678927.db2.gz CQZCYWFGTFTCSK-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221776778 856678930 /nfs/dbraw/zinc/67/89/30/856678930.db2.gz CQZCYWFGTFTCSK-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790128 856683635 /nfs/dbraw/zinc/68/36/35/856683635.db2.gz GFNRZLVBFOMSMF-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790128 856683640 /nfs/dbraw/zinc/68/36/40/856683640.db2.gz GFNRZLVBFOMSMF-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221791302 856685710 /nfs/dbraw/zinc/68/57/10/856685710.db2.gz FNJLJHRBXYRPMB-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221791302 856685715 /nfs/dbraw/zinc/68/57/15/856685715.db2.gz FNJLJHRBXYRPMB-HUUCEWRRSA-N 2 2 357.520 0.296 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221883685 856723185 /nfs/dbraw/zinc/72/31/85/856723185.db2.gz QKLKMFOHXJLOJV-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C[C@H]21 ZINC001221883685 856723188 /nfs/dbraw/zinc/72/31/88/856723188.db2.gz QKLKMFOHXJLOJV-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1ncc(CO)c(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c1O ZINC001279326916 862831817 /nfs/dbraw/zinc/83/18/17/862831817.db2.gz YITSPXARJOMERR-IYBDPMFKSA-N 2 2 350.463 0.035 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050671 856785476 /nfs/dbraw/zinc/78/54/76/856785476.db2.gz CCPNBIYBGLQJHG-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050671 856785480 /nfs/dbraw/zinc/78/54/80/856785480.db2.gz CCPNBIYBGLQJHG-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050671 856785483 /nfs/dbraw/zinc/78/54/83/856785483.db2.gz CCPNBIYBGLQJHG-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)C)C[C@H]21 ZINC001222050671 856785486 /nfs/dbraw/zinc/78/54/86/856785486.db2.gz CCPNBIYBGLQJHG-BRWVUGGUSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223652639 856933922 /nfs/dbraw/zinc/93/39/22/856933922.db2.gz VGAMNLHICCLFEL-INMHGKMJSA-N 2 2 350.463 0.520 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223652639 856933927 /nfs/dbraw/zinc/93/39/27/856933927.db2.gz VGAMNLHICCLFEL-INMHGKMJSA-N 2 2 350.463 0.520 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223652639 856933930 /nfs/dbraw/zinc/93/39/30/856933930.db2.gz VGAMNLHICCLFEL-INMHGKMJSA-N 2 2 350.463 0.520 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[N@@H+](CCOCCO)[C@H]2C1 ZINC001223652639 856933936 /nfs/dbraw/zinc/93/39/36/856933936.db2.gz VGAMNLHICCLFEL-INMHGKMJSA-N 2 2 350.463 0.520 20 0 FCADLP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1)S(C)(=O)=O ZINC001225962068 857073768 /nfs/dbraw/zinc/07/37/68/857073768.db2.gz XITCAECGPLOBJT-ZIAGYGMSSA-N 2 2 371.507 0.251 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)c[nH+]1 ZINC001227019536 857137725 /nfs/dbraw/zinc/13/77/25/857137725.db2.gz RJCVZQPVYMYFSH-HUUCEWRRSA-N 2 2 370.519 0.988 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001227166155 857146657 /nfs/dbraw/zinc/14/66/57/857146657.db2.gz UBROXOSJRIUPOX-ARFHVFGLSA-N 2 2 350.463 0.471 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227212180 857148828 /nfs/dbraw/zinc/14/88/28/857148828.db2.gz PIMLQMMQQBMGBF-ZIAGYGMSSA-N 2 2 351.451 0.455 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1)[NH+](C)C ZINC001228647478 857220725 /nfs/dbraw/zinc/22/07/25/857220725.db2.gz UPIWNLCIAFBIHF-MCIONIFRSA-N 2 2 352.483 0.993 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229327635 857265375 /nfs/dbraw/zinc/26/53/75/857265375.db2.gz VJIJEHGRCNYWNQ-ZIAGYGMSSA-N 2 2 371.507 0.251 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001231832143 857367165 /nfs/dbraw/zinc/36/71/65/857367165.db2.gz BNVVHQSJKXLGPX-UHFFFAOYSA-N 2 2 350.511 0.244 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001234392858 857402907 /nfs/dbraw/zinc/40/29/07/857402907.db2.gz QAVUBEIWHZMLNP-HYVNUMGLSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001234392858 857402915 /nfs/dbraw/zinc/40/29/15/857402915.db2.gz QAVUBEIWHZMLNP-HYVNUMGLSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001234392858 857402922 /nfs/dbraw/zinc/40/29/22/857402922.db2.gz QAVUBEIWHZMLNP-HYVNUMGLSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N(C)CC2CC2)CC[NH+]1C ZINC001234392858 857402924 /nfs/dbraw/zinc/40/29/24/857402924.db2.gz QAVUBEIWHZMLNP-HYVNUMGLSA-N 2 2 350.507 0.728 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001234403662 857403913 /nfs/dbraw/zinc/40/39/13/857403913.db2.gz WVVRGPZRZGCHSD-DJIMGWMZSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001234403662 857403920 /nfs/dbraw/zinc/40/39/20/857403920.db2.gz WVVRGPZRZGCHSD-DJIMGWMZSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001234403662 857403921 /nfs/dbraw/zinc/40/39/21/857403921.db2.gz WVVRGPZRZGCHSD-DJIMGWMZSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001234403662 857403931 /nfs/dbraw/zinc/40/39/31/857403931.db2.gz WVVRGPZRZGCHSD-DJIMGWMZSA-N 2 2 350.507 0.870 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC1=CS[C@@H]([NH3+])N1)C2 ZINC001235278495 857420782 /nfs/dbraw/zinc/42/07/82/857420782.db2.gz XUCHLMSNLLEFCK-YNEHKIRRSA-N 2 2 366.409 0.424 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+](CC[C@H]1C[NH2+]CCO1)C2 ZINC001235274562 857421416 /nfs/dbraw/zinc/42/14/16/857421416.db2.gz OEGMAQBEPTYLLO-CFVMTHIKSA-N 3 2 365.396 0.382 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+](CC[C@H]1C[NH2+]CCO1)C2 ZINC001235274562 857421422 /nfs/dbraw/zinc/42/14/22/857421422.db2.gz OEGMAQBEPTYLLO-CFVMTHIKSA-N 3 2 365.396 0.382 20 0 FCADLP COCCO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1Cc1cnn(C)c1 ZINC001235634390 857430177 /nfs/dbraw/zinc/43/01/77/857430177.db2.gz AXDLBLZRBVSORC-ULQDDVLXSA-N 2 2 352.479 0.793 20 0 FCADLP COCCO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1Cc1cnn(C)c1 ZINC001235634390 857430179 /nfs/dbraw/zinc/43/01/79/857430179.db2.gz AXDLBLZRBVSORC-ULQDDVLXSA-N 2 2 352.479 0.793 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1c[nH]c2cnc(Cl)cc12 ZINC001236311185 857439007 /nfs/dbraw/zinc/43/90/07/857439007.db2.gz HANWLVLWBSLXGW-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1c[nH]c2cnc(Cl)cc12 ZINC001236311185 857439012 /nfs/dbraw/zinc/43/90/12/857439012.db2.gz HANWLVLWBSLXGW-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001237565300 857455010 /nfs/dbraw/zinc/45/50/10/857455010.db2.gz INWAXFPDNZRFRB-UHFFFAOYSA-N 3 2 353.492 0.575 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(Br)cnc1Cl ZINC001238838844 857482482 /nfs/dbraw/zinc/48/24/82/857482482.db2.gz MQJGLFGTNIQNFO-UHFFFAOYSA-N 2 2 357.661 0.324 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(F)c(F)cc1Br ZINC001238839900 857483501 /nfs/dbraw/zinc/48/35/01/857483501.db2.gz VUMYZPWAXFXIRB-UHFFFAOYSA-N 2 2 358.208 0.554 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C[C@H]2CCC[NH+](C)C2)c1 ZINC001279502796 862920157 /nfs/dbraw/zinc/92/01/57/862920157.db2.gz XLSNLZNNJFKSCS-JYJNAYRXSA-N 2 2 367.519 0.599 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C[C@H]2CCC[NH+](C)C2)c1 ZINC001279502796 862920168 /nfs/dbraw/zinc/92/01/68/862920168.db2.gz XLSNLZNNJFKSCS-JYJNAYRXSA-N 2 2 367.519 0.599 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[NH+]3C[C@H]2CCC[N@H+](C)C2)c1 ZINC001279502796 862920176 /nfs/dbraw/zinc/92/01/76/862920176.db2.gz XLSNLZNNJFKSCS-JYJNAYRXSA-N 2 2 367.519 0.599 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[NH+]3C[C@H]2CCC[N@@H+](C)C2)c1 ZINC001279502796 862920186 /nfs/dbraw/zinc/92/01/86/862920186.db2.gz XLSNLZNNJFKSCS-JYJNAYRXSA-N 2 2 367.519 0.599 20 0 FCADLP COc1ccc(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)cc1Cl ZINC001239287057 857525288 /nfs/dbraw/zinc/52/52/88/857525288.db2.gz UBXYIYCPAGMDSI-UHFFFAOYSA-N 2 2 355.870 0.965 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)CN1 ZINC001246189245 857570611 /nfs/dbraw/zinc/57/06/11/857570611.db2.gz AYTUTCBHSBRHAT-NTXUUIFSSA-N 2 2 355.479 0.851 20 0 FCADLP O=C([C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246259120 857572187 /nfs/dbraw/zinc/57/21/87/857572187.db2.gz ZGDRTCMEUNUWOF-KKUMJFAQSA-N 3 2 354.520 0.141 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C[C@H](O)C(F)(F)F)CC3)CC1 ZINC001250969996 857672968 /nfs/dbraw/zinc/67/29/68/857672968.db2.gz HKINJGXNIXGKKN-AWEZNQCLSA-N 2 2 359.396 0.552 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](C[C@H](O)C(F)(F)F)CC3)CC1 ZINC001250969996 857672972 /nfs/dbraw/zinc/67/29/72/857672972.db2.gz HKINJGXNIXGKKN-AWEZNQCLSA-N 2 2 359.396 0.552 20 0 FCADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001251018257 857683132 /nfs/dbraw/zinc/68/31/32/857683132.db2.gz XIQRCTQULJQISX-KRWDZBQOSA-N 2 2 351.495 0.232 20 0 FCADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001251018257 857683134 /nfs/dbraw/zinc/68/31/34/857683134.db2.gz XIQRCTQULJQISX-KRWDZBQOSA-N 2 2 351.495 0.232 20 0 FCADLP Cc1nc(N2CC[NH+](CCO)CC2)cc(NC[C@@H](O)COC(C)C)[nH+]1 ZINC001252667901 857828909 /nfs/dbraw/zinc/82/89/09/857828909.db2.gz XAQBQEMMPSHXLZ-OAHLLOKOSA-N 2 2 353.467 0.097 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252817757 857843103 /nfs/dbraw/zinc/84/31/03/857843103.db2.gz JFKXDDUPPNFIOB-HYVNUMGLSA-N 2 2 355.504 0.982 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252817757 857843109 /nfs/dbraw/zinc/84/31/09/857843109.db2.gz JFKXDDUPPNFIOB-HYVNUMGLSA-N 2 2 355.504 0.982 20 0 FCADLP COC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252817757 857843112 /nfs/dbraw/zinc/84/31/12/857843112.db2.gz JFKXDDUPPNFIOB-HYVNUMGLSA-N 2 2 355.504 0.982 20 0 FCADLP COC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001252817757 857843114 /nfs/dbraw/zinc/84/31/14/857843114.db2.gz JFKXDDUPPNFIOB-HYVNUMGLSA-N 2 2 355.504 0.982 20 0 FCADLP COCCc1ccc(OC[C@H](O)CNC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001253074447 857858649 /nfs/dbraw/zinc/85/86/49/857858649.db2.gz MIVIDWNSAVSGOT-MRXNPFEDSA-N 2 2 350.463 0.387 20 0 FCADLP CC[NH+](CC)C[C@H](O)CN1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001253185133 857870422 /nfs/dbraw/zinc/87/04/22/857870422.db2.gz CTYGLQDISCENHE-KRWDZBQOSA-N 2 2 354.539 0.708 20 0 FCADLP C[NH+]1CC(C[NH2+]C[C@H](O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001253334825 857880411 /nfs/dbraw/zinc/88/04/11/857880411.db2.gz BJNFRZUHCJMMPQ-OAHLLOKOSA-N 2 2 357.495 0.651 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001253389008 857885409 /nfs/dbraw/zinc/88/54/09/857885409.db2.gz SQICJFFOGVCNRH-YLFCFFPRSA-N 2 2 353.507 0.837 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001253389008 857885411 /nfs/dbraw/zinc/88/54/11/857885411.db2.gz SQICJFFOGVCNRH-YLFCFFPRSA-N 2 2 353.507 0.837 20 0 FCADLP C[NH+]1CCN(C2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C(=O)C3)C2)CC1 ZINC001254256895 857950505 /nfs/dbraw/zinc/95/05/05/857950505.db2.gz PBRBFEFBCNAMFA-CQSZACIVSA-N 2 2 352.479 0.844 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+]([C@@H]4CCS(=O)(=O)C4)C3)O2)CC1 ZINC001254331996 857959752 /nfs/dbraw/zinc/95/97/52/857959752.db2.gz ICFYKJUFUNQOOT-KZNAEPCWSA-N 2 2 371.547 0.435 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+]([C@@H]4CCS(=O)(=O)C4)C3)O2)CC1 ZINC001254331996 857959760 /nfs/dbraw/zinc/95/97/60/857959760.db2.gz ICFYKJUFUNQOOT-KZNAEPCWSA-N 2 2 371.547 0.435 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC001256207961 858057465 /nfs/dbraw/zinc/05/74/65/858057465.db2.gz SAZHYCAIASWQHV-MJGOQNOKSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)CC1 ZINC001256207961 858057469 /nfs/dbraw/zinc/05/74/69/858057469.db2.gz SAZHYCAIASWQHV-MJGOQNOKSA-N 2 2 351.491 0.811 20 0 FCADLP C[C@H]1C[NH+](CCc2nnc(CCCN3CC[NH+](C)CC3)o2)C[C@H](C)O1 ZINC001258081053 858176298 /nfs/dbraw/zinc/17/62/98/858176298.db2.gz NVVMHYUCZUYEJH-HOTGVXAUSA-N 2 2 351.495 0.901 20 0 FCADLP CCn1cc(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cn1 ZINC001259836753 858293788 /nfs/dbraw/zinc/29/37/88/858293788.db2.gz LEVYOMGVWQACRQ-UHFFFAOYSA-N 2 2 355.508 0.551 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC001263199173 859123693 /nfs/dbraw/zinc/12/36/93/859123693.db2.gz YNWGVRBOHFMIAR-CQSZACIVSA-N 2 2 350.467 0.352 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC001267928617 859520042 /nfs/dbraw/zinc/52/00/42/859520042.db2.gz CIEURJDSFZWNCG-KBUPBQIOSA-N 2 2 368.503 0.585 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001272468353 860161075 /nfs/dbraw/zinc/16/10/75/860161075.db2.gz YMHKUDRVLGTVOG-ILXRZTDVSA-N 2 2 361.471 0.914 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001272468353 860161082 /nfs/dbraw/zinc/16/10/82/860161082.db2.gz YMHKUDRVLGTVOG-ILXRZTDVSA-N 2 2 361.471 0.914 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001273217510 860411671 /nfs/dbraw/zinc/41/16/71/860411671.db2.gz MJBSPFPJCZMRIC-KKUMJFAQSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273217510 860411678 /nfs/dbraw/zinc/41/16/78/860411678.db2.gz MJBSPFPJCZMRIC-KKUMJFAQSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001273217510 860411689 /nfs/dbraw/zinc/41/16/89/860411689.db2.gz MJBSPFPJCZMRIC-KKUMJFAQSA-N 2 2 350.488 0.957 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001273217510 860411696 /nfs/dbraw/zinc/41/16/96/860411696.db2.gz MJBSPFPJCZMRIC-KKUMJFAQSA-N 2 2 350.488 0.957 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218891 860412757 /nfs/dbraw/zinc/41/27/57/860412757.db2.gz YMPTUGDZZSXSSM-HKUYNNGSSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218891 860412760 /nfs/dbraw/zinc/41/27/60/860412760.db2.gz YMPTUGDZZSXSSM-HKUYNNGSSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)C1 ZINC001273218891 860412767 /nfs/dbraw/zinc/41/27/67/860412767.db2.gz YMPTUGDZZSXSSM-HKUYNNGSSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)C1 ZINC001273218891 860412775 /nfs/dbraw/zinc/41/27/75/860412775.db2.gz YMPTUGDZZSXSSM-HKUYNNGSSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218892 860412887 /nfs/dbraw/zinc/41/28/87/860412887.db2.gz YMPTUGDZZSXSSM-IEBWSBKVSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)C[NH+](C2CCCC2)CCO3)C1 ZINC001273218892 860412894 /nfs/dbraw/zinc/41/28/94/860412894.db2.gz YMPTUGDZZSXSSM-IEBWSBKVSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)C1 ZINC001273218892 860412899 /nfs/dbraw/zinc/41/28/99/860412899.db2.gz YMPTUGDZZSXSSM-IEBWSBKVSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)C1 ZINC001273218892 860412903 /nfs/dbraw/zinc/41/29/03/860412903.db2.gz YMPTUGDZZSXSSM-IEBWSBKVSA-N 2 2 351.491 0.953 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)[C@@H]2C1 ZINC001274909332 860869616 /nfs/dbraw/zinc/86/96/16/860869616.db2.gz WNDCLFXVJWMFSM-ZQDZILKHSA-N 2 2 350.488 0.549 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)[C@@H]2C1 ZINC001274909332 860869618 /nfs/dbraw/zinc/86/96/18/860869618.db2.gz WNDCLFXVJWMFSM-ZQDZILKHSA-N 2 2 350.488 0.549 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)[C@@H]2C1 ZINC001274909332 860869620 /nfs/dbraw/zinc/86/96/20/860869620.db2.gz WNDCLFXVJWMFSM-ZQDZILKHSA-N 2 2 350.488 0.549 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)[C@@H]2C1 ZINC001274909332 860869621 /nfs/dbraw/zinc/86/96/21/860869621.db2.gz WNDCLFXVJWMFSM-ZQDZILKHSA-N 2 2 350.488 0.549 20 0 FCADLP COC(=O)CCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275129864 860939516 /nfs/dbraw/zinc/93/95/16/860939516.db2.gz ACOYPOHLNNQMNM-KRWDZBQOSA-N 2 2 350.419 0.140 20 0 FCADLP COC(=O)CCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275129864 860939534 /nfs/dbraw/zinc/93/95/34/860939534.db2.gz ACOYPOHLNNQMNM-KRWDZBQOSA-N 2 2 350.419 0.140 20 0 FCADLP COC(=O)CCC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275131041 860940481 /nfs/dbraw/zinc/94/04/81/860940481.db2.gz BNHDTKUGORSGGP-QGZVFWFLSA-N 2 2 350.419 0.177 20 0 FCADLP COC(=O)CCC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275131041 860940494 /nfs/dbraw/zinc/94/04/94/860940494.db2.gz BNHDTKUGORSGGP-QGZVFWFLSA-N 2 2 350.419 0.177 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343509 861039338 /nfs/dbraw/zinc/03/93/38/861039338.db2.gz ODLLXVDXRLAVGT-IBGZPJMESA-N 3 2 352.523 0.727 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343509 861039356 /nfs/dbraw/zinc/03/93/56/861039356.db2.gz ODLLXVDXRLAVGT-IBGZPJMESA-N 3 2 352.523 0.727 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343511 861040131 /nfs/dbraw/zinc/04/01/31/861040131.db2.gz ODLLXVDXRLAVGT-LJQANCHMSA-N 3 2 352.523 0.727 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001275343511 861040150 /nfs/dbraw/zinc/04/01/50/861040150.db2.gz ODLLXVDXRLAVGT-LJQANCHMSA-N 3 2 352.523 0.727 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccncc1F)C2 ZINC001275392811 861069537 /nfs/dbraw/zinc/06/95/37/861069537.db2.gz RNJLUIZCNQXARS-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccncc1F)C2 ZINC001275392811 861069554 /nfs/dbraw/zinc/06/95/54/861069554.db2.gz RNJLUIZCNQXARS-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP CCS(=O)(=O)CCN1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275456314 861101646 /nfs/dbraw/zinc/10/16/46/861101646.db2.gz ZPRDDKDDNLUYFA-KRWDZBQOSA-N 2 2 366.487 0.353 20 0 FCADLP CCS(=O)(=O)CCN1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001275456314 861101651 /nfs/dbraw/zinc/10/16/51/861101651.db2.gz ZPRDDKDDNLUYFA-KRWDZBQOSA-N 2 2 366.487 0.353 20 0 FCADLP COC(C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1)OC ZINC001275494179 861113820 /nfs/dbraw/zinc/11/38/20/861113820.db2.gz VHAKQCHKHJUMSX-QGZVFWFLSA-N 2 2 350.419 0.343 20 0 FCADLP COC(C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1)OC ZINC001275494179 861113827 /nfs/dbraw/zinc/11/38/27/861113827.db2.gz VHAKQCHKHJUMSX-QGZVFWFLSA-N 2 2 350.419 0.343 20 0 FCADLP COC(CN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O)OC ZINC001275557259 861129126 /nfs/dbraw/zinc/12/91/26/861129126.db2.gz WGLDAHFJBGOEOI-DLBZAZTESA-N 2 2 361.433 0.522 20 0 FCADLP COC(CN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O)OC ZINC001275557259 861129134 /nfs/dbraw/zinc/12/91/34/861129134.db2.gz WGLDAHFJBGOEOI-DLBZAZTESA-N 2 2 361.433 0.522 20 0 FCADLP COC(=O)[C@H](C)C[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001280025683 863196025 /nfs/dbraw/zinc/19/60/25/863196025.db2.gz HOEQBCUWMWDDGA-HIFRSBDPSA-N 2 2 353.463 0.239 20 0 FCADLP COCCOC[N@@H+]1CCCC2(CC[NH+]([C@H](COC)C(=O)OC)CC2)C1 ZINC001280052299 863220329 /nfs/dbraw/zinc/22/03/29/863220329.db2.gz IGIKULRFPALWDK-MRXNPFEDSA-N 2 2 358.479 0.973 20 0 FCADLP COCCOC[N@H+]1CCCC2(CC[NH+]([C@H](COC)C(=O)OC)CC2)C1 ZINC001280052299 863220348 /nfs/dbraw/zinc/22/03/48/863220348.db2.gz IGIKULRFPALWDK-MRXNPFEDSA-N 2 2 358.479 0.973 20 0 FCADLP C[NH+]1CCC([N@@H+]2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)CC1 ZINC001280070993 863242412 /nfs/dbraw/zinc/24/24/12/863242412.db2.gz IJGVRXCMWMNNEY-STQMWFEESA-N 2 2 350.385 0.738 20 0 FCADLP C[NH+]1CCC([N@H+]2C[C@@H]3OCCN(C(=O)NCC(F)(F)F)[C@H]3C2)CC1 ZINC001280070993 863242425 /nfs/dbraw/zinc/24/24/25/863242425.db2.gz IJGVRXCMWMNNEY-STQMWFEESA-N 2 2 350.385 0.738 20 0 FCADLP CC(C)(CO)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280189498 863319574 /nfs/dbraw/zinc/31/95/74/863319574.db2.gz UZSVHRLTYNEKCJ-IXDOHACOSA-N 2 2 351.491 0.401 20 0 FCADLP CC(C)(CO)C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280189498 863319583 /nfs/dbraw/zinc/31/95/83/863319583.db2.gz UZSVHRLTYNEKCJ-IXDOHACOSA-N 2 2 351.491 0.401 20 0 FCADLP CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001292959441 865764144 /nfs/dbraw/zinc/76/41/44/865764144.db2.gz WZLUXLMWCCKAQT-KZNAEPCWSA-N 2 2 354.539 0.876 20 0 FCADLP CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001292959441 865764149 /nfs/dbraw/zinc/76/41/49/865764149.db2.gz WZLUXLMWCCKAQT-KZNAEPCWSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001349264320 866283234 /nfs/dbraw/zinc/28/32/34/866283234.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[NH+](C)CCN1C ZINC001349264320 866283249 /nfs/dbraw/zinc/28/32/49/866283249.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001349264320 866283265 /nfs/dbraw/zinc/28/32/65/866283265.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001349264320 866283278 /nfs/dbraw/zinc/28/32/78/866283278.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001349264320 866283293 /nfs/dbraw/zinc/28/32/93/866283293.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC001349264320 866283307 /nfs/dbraw/zinc/28/33/07/866283307.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349264320 866283321 /nfs/dbraw/zinc/28/33/21/866283321.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001349264320 866283333 /nfs/dbraw/zinc/28/33/33/866283333.db2.gz HELRXIBKYIUXPU-TWMKSMIVSA-N 2 2 355.527 0.419 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1CN(C)CC[NH+]1C ZINC001349466301 866348386 /nfs/dbraw/zinc/34/83/86/866348386.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1CN(C)CC[NH+]1C ZINC001349466301 866348395 /nfs/dbraw/zinc/34/83/95/866348395.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001349466301 866348416 /nfs/dbraw/zinc/34/84/16/866348416.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH+](C)CCCO)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001349466301 866348424 /nfs/dbraw/zinc/34/84/24/866348424.db2.gz BPABAIJWAWAFOE-RDJZCZTQSA-N 2 2 355.527 0.109 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC001349643918 866402143 /nfs/dbraw/zinc/40/21/43/866402143.db2.gz JAVUYJNSDADBCW-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001309330455 866780725 /nfs/dbraw/zinc/78/07/25/866780725.db2.gz GUXIXTVHWSHVJJ-OAHLLOKOSA-N 2 2 367.519 0.689 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(C)(C)C)o2)CC[N@@H+]1C ZINC001320230530 868116102 /nfs/dbraw/zinc/11/61/02/868116102.db2.gz KFPZOPPPNBQJEX-FRRDWIJNSA-N 2 2 353.467 0.274 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nnc(C(C)(C)C)o2)CC[N@H+]1C ZINC001320230530 868116108 /nfs/dbraw/zinc/11/61/08/868116108.db2.gz KFPZOPPPNBQJEX-FRRDWIJNSA-N 2 2 353.467 0.274 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC001321964929 868682731 /nfs/dbraw/zinc/68/27/31/868682731.db2.gz ZXWVRCYTRRHBSI-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322802798 868951691 /nfs/dbraw/zinc/95/16/91/868951691.db2.gz RERAXFHPTPQDEZ-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322802798 868951696 /nfs/dbraw/zinc/95/16/96/868951696.db2.gz RERAXFHPTPQDEZ-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324609406 869633651 /nfs/dbraw/zinc/63/36/51/869633651.db2.gz YVPJMQHLSAZXNF-GOEBONIOSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C(=O)C(=O)NC[C@@H]1CC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324609406 869633658 /nfs/dbraw/zinc/63/36/58/869633658.db2.gz YVPJMQHLSAZXNF-GOEBONIOSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)(OC(C)(C)C(=O)NCC[NH+]1CCC1)C(=O)NCC[NH+]1CCC1 ZINC001324915613 869714668 /nfs/dbraw/zinc/71/46/68/869714668.db2.gz SIOHGXDWGBFQOZ-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CC3(C)C)CC2)CC1 ZINC001325998082 870132194 /nfs/dbraw/zinc/13/21/94/870132194.db2.gz FQWVZNOELWKAKE-CQSZACIVSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@H]1SCC[C@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001326401771 870297788 /nfs/dbraw/zinc/29/77/88/870297788.db2.gz OEWXCKGKPWPUMW-CZUORRHYSA-N 2 2 368.547 0.671 20 0 FCADLP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001327196412 870711475 /nfs/dbraw/zinc/71/14/75/870711475.db2.gz QBUDQWOZRVPHOE-UHFFFAOYSA-N 2 2 367.515 0.687 20 0 FCADLP CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001328006368 871180019 /nfs/dbraw/zinc/18/00/19/871180019.db2.gz QYWCMJLEHKKYQG-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001328923946 871716003 /nfs/dbraw/zinc/71/60/03/871716003.db2.gz WBMRUWDCWYEQLE-GJZGRUSLSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001328923946 871716008 /nfs/dbraw/zinc/71/60/08/871716008.db2.gz WBMRUWDCWYEQLE-GJZGRUSLSA-N 2 2 350.507 0.776 20 0 FCADLP CSCC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(=O)N(C)C ZINC001346422374 871831430 /nfs/dbraw/zinc/83/14/30/871831430.db2.gz ANYQGNBWAIFASG-KRWDZBQOSA-N 2 2 372.579 0.583 20 0 FCADLP CN(C(=O)C(=O)NCCC(C)(C)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329154762 871852845 /nfs/dbraw/zinc/85/28/45/871852845.db2.gz XTIOFOOSVJKYDM-HNNXBMFYSA-N 2 2 356.486 0.868 20 0 FCADLP CN(C(=O)C(=O)NCCC(C)(C)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329154762 871852865 /nfs/dbraw/zinc/85/28/65/871852865.db2.gz XTIOFOOSVJKYDM-HNNXBMFYSA-N 2 2 356.486 0.868 20 0 FCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001346763162 871986989 /nfs/dbraw/zinc/98/69/89/871986989.db2.gz RMIRPYZVFMCLDU-MRXNPFEDSA-N 2 2 354.495 0.809 20 0 FCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001346763162 871987000 /nfs/dbraw/zinc/98/70/00/871987000.db2.gz RMIRPYZVFMCLDU-MRXNPFEDSA-N 2 2 354.495 0.809 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765767 871988681 /nfs/dbraw/zinc/98/86/81/871988681.db2.gz CFYUKZRNBMEMQA-YVSFHVDLSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC001346765767 871988693 /nfs/dbraw/zinc/98/86/93/871988693.db2.gz CFYUKZRNBMEMQA-YVSFHVDLSA-N 2 2 355.527 0.371 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1C ZINC001346765767 871988719 /nfs/dbraw/zinc/98/87/19/871988719.db2.gz CFYUKZRNBMEMQA-YVSFHVDLSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491455 872065714 /nfs/dbraw/zinc/06/57/14/872065714.db2.gz SFKUWFQJVOUWBO-LSDHHAIUSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329491455 872065733 /nfs/dbraw/zinc/06/57/33/872065733.db2.gz SFKUWFQJVOUWBO-LSDHHAIUSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001348662188 872755477 /nfs/dbraw/zinc/75/54/77/872755477.db2.gz AFXUVRHRANKQTB-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158333 873396485 /nfs/dbraw/zinc/39/64/85/873396485.db2.gz XTFDJOGOFZNRDX-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158333 873396498 /nfs/dbraw/zinc/39/64/98/873396498.db2.gz XTFDJOGOFZNRDX-BFYDXBDKSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000821586010 945725322 /nfs/dbraw/zinc/72/53/22/945725322.db2.gz FTEZFKWIRUIUNI-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000821586010 945725329 /nfs/dbraw/zinc/72/53/29/945725329.db2.gz FTEZFKWIRUIUNI-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824547395 946788213 /nfs/dbraw/zinc/78/82/13/946788213.db2.gz NWIVFZFKPVTWCP-MAUKXSAKSA-N 2 2 371.489 0.924 20 0 FCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921533 948927986 /nfs/dbraw/zinc/92/79/86/948927986.db2.gz ZQWHCUDEBUDBDG-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926049 948984386 /nfs/dbraw/zinc/98/43/86/948984386.db2.gz HBIMLJLVZIONBB-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574926049 948984399 /nfs/dbraw/zinc/98/43/99/948984399.db2.gz HBIMLJLVZIONBB-LBPRGKRZSA-N 2 2 363.491 0.961 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574942414 949354910 /nfs/dbraw/zinc/35/49/10/949354910.db2.gz NUTCDZGEVMLHRV-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574942414 949354931 /nfs/dbraw/zinc/35/49/31/949354931.db2.gz NUTCDZGEVMLHRV-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948494 949467056 /nfs/dbraw/zinc/46/70/56/949467056.db2.gz JVPPNODQVDMNAL-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574948494 949467071 /nfs/dbraw/zinc/46/70/71/949467071.db2.gz JVPPNODQVDMNAL-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574948895 949475120 /nfs/dbraw/zinc/47/51/20/949475120.db2.gz OBDVXHXJQOLFQO-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574948895 949475134 /nfs/dbraw/zinc/47/51/34/949475134.db2.gz OBDVXHXJQOLFQO-ZDUSSCGKSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574715648 949659890 /nfs/dbraw/zinc/65/98/90/949659890.db2.gz JYEXXKMFHOEVSY-CHWSQXEVSA-N 2 2 369.433 0.790 20 0 FCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575276741 949724653 /nfs/dbraw/zinc/72/46/53/949724653.db2.gz KVXWNAIDXQHONJ-VXGBXAGGSA-N 2 2 369.433 0.355 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574728538 949990678 /nfs/dbraw/zinc/99/06/78/949990678.db2.gz CGUJAHGDFVLUHU-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203724 950448258 /nfs/dbraw/zinc/44/82/58/950448258.db2.gz IVDKLTVVYBQDEE-FZKQIMNGSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576203724 950448264 /nfs/dbraw/zinc/44/82/64/950448264.db2.gz IVDKLTVVYBQDEE-FZKQIMNGSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575911706 950452046 /nfs/dbraw/zinc/45/20/46/950452046.db2.gz PKBJYSKGQKAXAD-CZUORRHYSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205438 950520902 /nfs/dbraw/zinc/52/09/02/950520902.db2.gz IYAQSBGRCMNIHE-ZBFHGGJFSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205438 950520919 /nfs/dbraw/zinc/52/09/19/950520919.db2.gz IYAQSBGRCMNIHE-ZBFHGGJFSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205438 950520932 /nfs/dbraw/zinc/52/09/32/950520932.db2.gz IYAQSBGRCMNIHE-ZBFHGGJFSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205438 950520947 /nfs/dbraw/zinc/52/09/47/950520947.db2.gz IYAQSBGRCMNIHE-ZBFHGGJFSA-N 2 2 369.473 0.899 20 0 FCADLP Cc1oc(NC(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001570996335 951018137 /nfs/dbraw/zinc/01/81/37/951018137.db2.gz SZKZPTLSYKKPAB-OLZOCXBDSA-N 2 2 359.434 0.899 20 0 FCADLP Cc1oc(NC(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001570996335 951018157 /nfs/dbraw/zinc/01/81/57/951018157.db2.gz SZKZPTLSYKKPAB-OLZOCXBDSA-N 2 2 359.434 0.899 20 0 FCADLP Cc1oc(NC(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001570996335 951018170 /nfs/dbraw/zinc/01/81/70/951018170.db2.gz SZKZPTLSYKKPAB-OLZOCXBDSA-N 2 2 359.434 0.899 20 0 FCADLP Cc1oc(NC(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001570996335 951018183 /nfs/dbraw/zinc/01/81/83/951018183.db2.gz SZKZPTLSYKKPAB-OLZOCXBDSA-N 2 2 359.434 0.899 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080473 951710785 /nfs/dbraw/zinc/71/07/85/951710785.db2.gz WSOITFNPFHEICU-LBPRGKRZSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103072 951873455 /nfs/dbraw/zinc/87/34/55/951873455.db2.gz RQJPXIOUVDILEG-NSHDSACASA-N 2 2 372.408 0.814 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104469 951886190 /nfs/dbraw/zinc/88/61/90/951886190.db2.gz DCAQNRXYVSOLQI-AWEZNQCLSA-N 2 2 368.445 0.995 20 0 FCADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCOC1 ZINC001571103896 952360775 /nfs/dbraw/zinc/36/07/75/952360775.db2.gz VQKYBSMRZRFRQD-AEFFLSMTSA-N 2 2 372.473 0.818 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn2cc[nH+]c12 ZINC000293233639 214157775 /nfs/dbraw/zinc/15/77/75/214157775.db2.gz CBKORDSMVAYEBP-AWEZNQCLSA-N 2 2 372.429 0.037 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn2cc[nH+]c12 ZINC000293233639 214157779 /nfs/dbraw/zinc/15/77/79/214157779.db2.gz CBKORDSMVAYEBP-AWEZNQCLSA-N 2 2 372.429 0.037 20 0 FCADLP CN(CC[N@H+](C)CCCn1cc[nH+]c1)c1ccc(S(N)(=O)=O)cc1 ZINC000295143280 214279509 /nfs/dbraw/zinc/27/95/09/214279509.db2.gz CLOLHJGYQWJSJW-UHFFFAOYSA-N 2 2 351.476 0.989 20 0 FCADLP CN(CC[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(S(N)(=O)=O)cc1 ZINC000295143280 214279510 /nfs/dbraw/zinc/27/95/10/214279510.db2.gz CLOLHJGYQWJSJW-UHFFFAOYSA-N 2 2 351.476 0.989 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000295215738 214284936 /nfs/dbraw/zinc/28/49/36/214284936.db2.gz QMULGTBCHHQXJR-MAUKXSAKSA-N 2 2 360.458 0.044 20 0 FCADLP CCC[NH2+][C@H](C)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000295250231 214285934 /nfs/dbraw/zinc/28/59/34/214285934.db2.gz UEZHNBWMZJMYPQ-OAHLLOKOSA-N 2 2 362.478 0.350 20 0 FCADLP CCC[NH2+][C@H](C)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000295250231 214285939 /nfs/dbraw/zinc/28/59/39/214285939.db2.gz UEZHNBWMZJMYPQ-OAHLLOKOSA-N 2 2 362.478 0.350 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)Cn1cc[nH+]c1C)C(=O)NCC[NH+]1CCOCC1 ZINC000297392978 214396094 /nfs/dbraw/zinc/39/60/94/214396094.db2.gz KNCSQVGUODDKOG-WMLDXEAASA-N 2 2 365.478 0.171 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)s1 ZINC000167354913 529641383 /nfs/dbraw/zinc/64/13/83/529641383.db2.gz KJEJGGOMNMOPLO-UHFFFAOYSA-N 2 2 350.488 0.387 20 0 FCADLP C[NH+]1CCN(CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265786515 210221776 /nfs/dbraw/zinc/22/17/76/210221776.db2.gz HTPZQVHTSCNLGZ-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+]1CCN(CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265786515 210221782 /nfs/dbraw/zinc/22/17/82/210221782.db2.gz HTPZQVHTSCNLGZ-IBGZPJMESA-N 2 2 360.502 0.641 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@H]2C1 ZINC000410980191 529807389 /nfs/dbraw/zinc/80/73/89/529807389.db2.gz MVVABNVQSFHNBM-UAGQMJEPSA-N 2 2 358.442 0.614 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@H]2C1 ZINC000410980191 529807391 /nfs/dbraw/zinc/80/73/91/529807391.db2.gz MVVABNVQSFHNBM-UAGQMJEPSA-N 2 2 358.442 0.614 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410732022 529900608 /nfs/dbraw/zinc/90/06/08/529900608.db2.gz IZOPKCKJCRUYSI-HNNXBMFYSA-N 2 2 361.490 0.754 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410732022 529900609 /nfs/dbraw/zinc/90/06/09/529900609.db2.gz IZOPKCKJCRUYSI-HNNXBMFYSA-N 2 2 361.490 0.754 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000410618884 529903120 /nfs/dbraw/zinc/90/31/20/529903120.db2.gz GFVBBKYNGSKXHS-IAGOWNOFSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000410618884 529903121 /nfs/dbraw/zinc/90/31/21/529903121.db2.gz GFVBBKYNGSKXHS-IAGOWNOFSA-N 2 2 368.522 0.233 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000410835860 530066295 /nfs/dbraw/zinc/06/62/95/530066295.db2.gz PEIDRPUEGBFNPI-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000410504149 530066407 /nfs/dbraw/zinc/06/64/07/530066407.db2.gz QLBKHQRATYRZET-UHFFFAOYSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000410504149 530066408 /nfs/dbraw/zinc/06/64/08/530066408.db2.gz QLBKHQRATYRZET-UHFFFAOYSA-N 2 2 358.486 0.883 20 0 FCADLP Cn1c2ncn(CC[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2c(=O)n(C)c1=O ZINC000265476911 210144811 /nfs/dbraw/zinc/14/48/11/210144811.db2.gz JSJIFNFKVWOARE-UHFFFAOYSA-N 2 2 357.418 0.036 20 0 FCADLP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000289276851 213857347 /nfs/dbraw/zinc/85/73/47/213857347.db2.gz AOWHQIZMEYOJCK-UHFFFAOYSA-N 2 2 371.485 0.721 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512159 215007896 /nfs/dbraw/zinc/00/78/96/215007896.db2.gz MKMMEFXOJHNQGS-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512159 215007897 /nfs/dbraw/zinc/00/78/97/215007897.db2.gz MKMMEFXOJHNQGS-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331512159 215007899 /nfs/dbraw/zinc/00/78/99/215007899.db2.gz MKMMEFXOJHNQGS-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331512159 215007900 /nfs/dbraw/zinc/00/79/00/215007900.db2.gz MKMMEFXOJHNQGS-CVEARBPZSA-N 2 2 366.506 0.251 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331524369 215010671 /nfs/dbraw/zinc/01/06/71/215010671.db2.gz FQAQZYZDEVPGSH-HOTGVXAUSA-N 2 2 367.490 0.441 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000331524369 215010673 /nfs/dbraw/zinc/01/06/73/215010673.db2.gz FQAQZYZDEVPGSH-HOTGVXAUSA-N 2 2 367.490 0.441 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000331572224 215016835 /nfs/dbraw/zinc/01/68/35/215016835.db2.gz DMJLTVHNGHFFIL-JKSUJKDBSA-N 2 2 351.495 0.454 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000331572130 215017595 /nfs/dbraw/zinc/01/75/95/215017595.db2.gz LSZXODZTWPWTNX-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000331572130 215017596 /nfs/dbraw/zinc/01/75/96/215017596.db2.gz LSZXODZTWPWTNX-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCO1 ZINC000265271721 210085184 /nfs/dbraw/zinc/08/51/84/210085184.db2.gz GFHXAXDFQVPJRL-MRXNPFEDSA-N 2 2 363.462 0.390 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)n1C ZINC000265171568 210067187 /nfs/dbraw/zinc/06/71/87/210067187.db2.gz JFYGZUNJILJIIK-UHFFFAOYSA-N 2 2 373.461 0.717 20 0 FCADLP CC(C)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000265065790 210047496 /nfs/dbraw/zinc/04/74/96/210047496.db2.gz ULBTUVUOOJCEIR-UHFFFAOYSA-N 2 2 368.503 0.533 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000331915542 215066823 /nfs/dbraw/zinc/06/68/23/215066823.db2.gz ZJEDXZDDYRMWRE-OAHLLOKOSA-N 2 2 360.462 0.124 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000331915542 215066826 /nfs/dbraw/zinc/06/68/26/215066826.db2.gz ZJEDXZDDYRMWRE-OAHLLOKOSA-N 2 2 360.462 0.124 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000331915540 215066881 /nfs/dbraw/zinc/06/68/81/215066881.db2.gz ZJEDXZDDYRMWRE-HNNXBMFYSA-N 2 2 360.462 0.124 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000331915540 215066883 /nfs/dbraw/zinc/06/68/83/215066883.db2.gz ZJEDXZDDYRMWRE-HNNXBMFYSA-N 2 2 360.462 0.124 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C[C@H]1C ZINC000331925675 215068348 /nfs/dbraw/zinc/06/83/48/215068348.db2.gz KLVNHPMHCCPROS-NVXWUHKLSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C[C@H]1C ZINC000331925675 215068350 /nfs/dbraw/zinc/06/83/50/215068350.db2.gz KLVNHPMHCCPROS-NVXWUHKLSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000331925675 215068353 /nfs/dbraw/zinc/06/83/53/215068353.db2.gz KLVNHPMHCCPROS-NVXWUHKLSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC000331925675 215068354 /nfs/dbraw/zinc/06/83/54/215068354.db2.gz KLVNHPMHCCPROS-NVXWUHKLSA-N 2 2 367.490 0.726 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000331992016 215077686 /nfs/dbraw/zinc/07/76/86/215077686.db2.gz ATLIYLVTTLQKBA-CVEARBPZSA-N 2 2 359.474 0.638 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000331992016 215077689 /nfs/dbraw/zinc/07/76/89/215077689.db2.gz ATLIYLVTTLQKBA-CVEARBPZSA-N 2 2 359.474 0.638 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000264980804 210030011 /nfs/dbraw/zinc/03/00/11/210030011.db2.gz FQFLZZWAMJSMFP-UHFFFAOYSA-N 2 2 359.455 0.976 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863418 210001775 /nfs/dbraw/zinc/00/17/75/210001775.db2.gz LGVVPIHWGYOVFM-MAUKXSAKSA-N 2 2 373.501 0.711 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863418 210001778 /nfs/dbraw/zinc/00/17/78/210001778.db2.gz LGVVPIHWGYOVFM-MAUKXSAKSA-N 2 2 373.501 0.711 20 0 FCADLP CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332478744 215158466 /nfs/dbraw/zinc/15/84/66/215158466.db2.gz AWNPCIXKZXOXHV-KRWDZBQOSA-N 2 2 364.515 0.993 20 0 FCADLP CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000332478744 215158469 /nfs/dbraw/zinc/15/84/69/215158469.db2.gz AWNPCIXKZXOXHV-KRWDZBQOSA-N 2 2 364.515 0.993 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1C 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/nfs/dbraw/zinc/18/36/69/215183669.db2.gz FSOAKVOHGISXOM-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C[C@@H]1C ZINC000332581071 215183671 /nfs/dbraw/zinc/18/36/71/215183671.db2.gz FSOAKVOHGISXOM-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@@H]1C ZINC000332581071 215183673 /nfs/dbraw/zinc/18/36/73/215183673.db2.gz FSOAKVOHGISXOM-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000332805941 215212945 /nfs/dbraw/zinc/21/29/45/215212945.db2.gz BUXSPOIUWPPIQS-BZSNNMDCSA-N 2 2 368.522 0.848 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000332821411 215213352 /nfs/dbraw/zinc/21/33/52/215213352.db2.gz ARIZPPILNRAPDB-QFBILLFUSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000332821411 215213355 /nfs/dbraw/zinc/21/33/55/215213355.db2.gz ARIZPPILNRAPDB-QFBILLFUSA-N 2 2 354.454 0.981 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@]3(CCO[C@H]3C)C2)C1 ZINC000332932512 215219260 /nfs/dbraw/zinc/21/92/60/215219260.db2.gz IIXQTDDFXJASCX-SCTDSRPQSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCO[C@@]3(CCO[C@H]3C)C2)C1 ZINC000332932512 215219262 /nfs/dbraw/zinc/21/92/62/215219262.db2.gz IIXQTDDFXJASCX-SCTDSRPQSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)C1 ZINC000332932512 215219267 /nfs/dbraw/zinc/21/92/67/215219267.db2.gz IIXQTDDFXJASCX-SCTDSRPQSA-N 2 2 369.506 0.339 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)C1 ZINC000332932512 215219269 /nfs/dbraw/zinc/21/92/69/215219269.db2.gz IIXQTDDFXJASCX-SCTDSRPQSA-N 2 2 369.506 0.339 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018883 215224412 /nfs/dbraw/zinc/22/44/12/215224412.db2.gz HTKWPAUAXLMGNH-CVEARBPZSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333018883 215224416 /nfs/dbraw/zinc/22/44/16/215224416.db2.gz HTKWPAUAXLMGNH-CVEARBPZSA-N 2 2 372.535 0.039 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000332890379 215216765 /nfs/dbraw/zinc/21/67/65/215216765.db2.gz JMOLVZQISHETPL-CJNGLKHVSA-N 2 2 360.462 0.215 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000332890379 215216768 /nfs/dbraw/zinc/21/67/68/215216768.db2.gz JMOLVZQISHETPL-CJNGLKHVSA-N 2 2 360.462 0.215 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000332890379 215216770 /nfs/dbraw/zinc/21/67/70/215216770.db2.gz JMOLVZQISHETPL-CJNGLKHVSA-N 2 2 360.462 0.215 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000332890379 215216774 /nfs/dbraw/zinc/21/67/74/215216774.db2.gz JMOLVZQISHETPL-CJNGLKHVSA-N 2 2 360.462 0.215 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000333054009 215229791 /nfs/dbraw/zinc/22/97/91/215229791.db2.gz QZQFGJYTJNJPJC-IRXDYDNUSA-N 2 2 366.506 0.528 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CCN1C ZINC000333082859 215233001 /nfs/dbraw/zinc/23/30/01/215233001.db2.gz QUSAUXZHAIBQSH-OAHLLOKOSA-N 2 2 350.467 0.141 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)CCN1C ZINC000333082859 215233007 /nfs/dbraw/zinc/23/30/07/215233007.db2.gz QUSAUXZHAIBQSH-OAHLLOKOSA-N 2 2 350.467 0.141 20 0 FCADLP C[C@H]1OCC[C@]1(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333023673 215225236 /nfs/dbraw/zinc/22/52/36/215225236.db2.gz KCGKJHBZXKGQCA-KDOFPFPSSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@H]1CSC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000333384443 215274110 /nfs/dbraw/zinc/27/41/10/215274110.db2.gz BQAJRKXBGUBZOP-GJZGRUSLSA-N 2 2 370.544 0.875 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000333402992 215276545 /nfs/dbraw/zinc/27/65/45/215276545.db2.gz FQABIMWJYNJMIV-SFHVURJKSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000333402992 215276548 /nfs/dbraw/zinc/27/65/48/215276548.db2.gz FQABIMWJYNJMIV-SFHVURJKSA-N 2 2 367.538 0.517 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333439050 215280975 /nfs/dbraw/zinc/28/09/75/215280975.db2.gz VTQQZHGBJZEEOD-CVEARBPZSA-N 2 2 372.473 0.266 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000333636695 215304228 /nfs/dbraw/zinc/30/42/28/215304228.db2.gz HLNDWBCNBGMLQY-OQSMONGASA-N 2 2 367.538 0.299 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000333636695 215304239 /nfs/dbraw/zinc/30/42/39/215304239.db2.gz HLNDWBCNBGMLQY-OQSMONGASA-N 2 2 367.538 0.299 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000333827444 215323162 /nfs/dbraw/zinc/32/31/62/215323162.db2.gz ISQUKCYJJWJASY-XIRDDKMYSA-N 2 2 371.547 0.875 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000333871203 215327212 /nfs/dbraw/zinc/32/72/12/215327212.db2.gz PHAJTKCPKCGOHE-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333880178 215327442 /nfs/dbraw/zinc/32/74/42/215327442.db2.gz WAHFJKTUUHBKLK-QFBILLFUSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333874044 215327505 /nfs/dbraw/zinc/32/75/05/215327505.db2.gz VBFUTILUEOMBNO-JSGCOSHPSA-N 2 2 358.450 0.193 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333882331 215327629 /nfs/dbraw/zinc/32/76/29/215327629.db2.gz DVWDBHXITRQZHM-KRWDZBQOSA-N 2 2 358.490 0.871 20 0 FCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333964437 215334819 /nfs/dbraw/zinc/33/48/19/215334819.db2.gz PAOLXQSLGFHWGV-KRWDZBQOSA-N 2 2 368.522 0.730 20 0 FCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333964437 215334821 /nfs/dbraw/zinc/33/48/21/215334821.db2.gz PAOLXQSLGFHWGV-KRWDZBQOSA-N 2 2 368.522 0.730 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000285777982 213393024 /nfs/dbraw/zinc/39/30/24/213393024.db2.gz DSYSFULLJKLXFB-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000285777982 213393026 /nfs/dbraw/zinc/39/30/26/213393026.db2.gz DSYSFULLJKLXFB-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000285777982 213393028 /nfs/dbraw/zinc/39/30/28/213393028.db2.gz DSYSFULLJKLXFB-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000285777982 213393031 /nfs/dbraw/zinc/39/30/31/213393031.db2.gz DSYSFULLJKLXFB-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092240 215343984 /nfs/dbraw/zinc/34/39/84/215343984.db2.gz OLKZGVCYFAUVMB-ILXRZTDVSA-N 2 2 360.462 0.837 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092240 215343985 /nfs/dbraw/zinc/34/39/85/215343985.db2.gz OLKZGVCYFAUVMB-ILXRZTDVSA-N 2 2 360.462 0.837 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000334126358 215347274 /nfs/dbraw/zinc/34/72/74/215347274.db2.gz PQXQAMKLXDMMQJ-ZDUSSCGKSA-N 2 2 358.450 0.289 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000334126358 215347277 /nfs/dbraw/zinc/34/72/77/215347277.db2.gz PQXQAMKLXDMMQJ-ZDUSSCGKSA-N 2 2 358.450 0.289 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346029 215358424 /nfs/dbraw/zinc/35/84/24/215358424.db2.gz RTCDMYSJQNGYOO-OCCSQVGLSA-N 2 2 356.829 0.762 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346029 215358426 /nfs/dbraw/zinc/35/84/26/215358426.db2.gz RTCDMYSJQNGYOO-OCCSQVGLSA-N 2 2 356.829 0.762 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000361140361 215381807 /nfs/dbraw/zinc/38/18/07/215381807.db2.gz HBHPJOUKDXLAJF-INIZCTEOSA-N 2 2 373.501 0.572 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000285517891 213352397 /nfs/dbraw/zinc/35/23/97/213352397.db2.gz OUQJQXWTEFCWEW-HNNXBMFYSA-N 2 2 363.462 0.690 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000285262822 213313303 /nfs/dbraw/zinc/31/33/03/213313303.db2.gz YOAFXKPJJDYVGB-UHFFFAOYSA-N 2 2 350.488 0.387 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000285262822 213313305 /nfs/dbraw/zinc/31/33/05/213313305.db2.gz YOAFXKPJJDYVGB-UHFFFAOYSA-N 2 2 350.488 0.387 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000284981725 213261257 /nfs/dbraw/zinc/26/12/57/213261257.db2.gz SJCDFHVGWQMTCL-CQSZACIVSA-N 2 2 359.430 0.925 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000284562372 213168768 /nfs/dbraw/zinc/16/87/68/213168768.db2.gz UHZKPNPCPGCHQW-IRXDYDNUSA-N 2 2 371.485 0.851 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000284562372 213168764 /nfs/dbraw/zinc/16/87/64/213168764.db2.gz UHZKPNPCPGCHQW-IRXDYDNUSA-N 2 2 371.485 0.851 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000284541093 213164865 /nfs/dbraw/zinc/16/48/65/213164865.db2.gz UTLBAKDKSQHIKX-CQSZACIVSA-N 2 2 366.462 0.226 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284453849 213144011 /nfs/dbraw/zinc/14/40/11/213144011.db2.gz FFWGLBIRHLGMDA-MRXNPFEDSA-N 2 2 361.490 0.858 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284453849 213144014 /nfs/dbraw/zinc/14/40/14/213144014.db2.gz FFWGLBIRHLGMDA-MRXNPFEDSA-N 2 2 361.490 0.858 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000284090993 213072368 /nfs/dbraw/zinc/07/23/68/213072368.db2.gz NYPRODVEAFXSBD-JKSUJKDBSA-N 2 2 365.478 0.377 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000284090993 213072370 /nfs/dbraw/zinc/07/23/70/213072370.db2.gz NYPRODVEAFXSBD-JKSUJKDBSA-N 2 2 365.478 0.377 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000283291601 212930203 /nfs/dbraw/zinc/93/02/03/212930203.db2.gz HHERKFWRZOOCJO-OAHLLOKOSA-N 2 2 355.442 0.895 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000411928290 237111761 /nfs/dbraw/zinc/11/17/61/237111761.db2.gz BAYOEZAPFAYOEP-KRWDZBQOSA-N 2 2 374.485 0.867 20 0 FCADLP CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000411928290 237111774 /nfs/dbraw/zinc/11/17/74/237111774.db2.gz BAYOEZAPFAYOEP-KRWDZBQOSA-N 2 2 374.485 0.867 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000411929206 237111921 /nfs/dbraw/zinc/11/19/21/237111921.db2.gz DHPXLYNVDNMOQW-OAHLLOKOSA-N 2 2 364.515 0.802 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000411929206 237111925 /nfs/dbraw/zinc/11/19/25/237111925.db2.gz DHPXLYNVDNMOQW-OAHLLOKOSA-N 2 2 364.515 0.802 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000412048117 237147870 /nfs/dbraw/zinc/14/78/70/237147870.db2.gz UECOBVLBKPOBKL-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000412048117 237147888 /nfs/dbraw/zinc/14/78/88/237147888.db2.gz UECOBVLBKPOBKL-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000412028392 237149170 /nfs/dbraw/zinc/14/91/70/237149170.db2.gz BBXBGBLBHURGTC-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000412028392 237149182 /nfs/dbraw/zinc/14/91/82/237149182.db2.gz BBXBGBLBHURGTC-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@]2(CCCOC2)O1 ZINC000366620477 216004429 /nfs/dbraw/zinc/00/44/29/216004429.db2.gz RFFHEGSCXWPBPZ-VQIMIIECSA-N 2 2 368.522 0.992 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000413129239 237278425 /nfs/dbraw/zinc/27/84/25/237278425.db2.gz XPTIAFFRZLXPIP-UHFFFAOYSA-N 2 2 365.478 0.872 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000413378076 237323882 /nfs/dbraw/zinc/32/38/82/237323882.db2.gz YFEFAXNJKBFWMW-WMLDXEAASA-N 2 2 354.495 0.458 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000413378076 237323890 /nfs/dbraw/zinc/32/38/90/237323890.db2.gz YFEFAXNJKBFWMW-WMLDXEAASA-N 2 2 354.495 0.458 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000413555294 237359051 /nfs/dbraw/zinc/35/90/51/237359051.db2.gz YFWMTWBMMYRQJZ-INIZCTEOSA-N 2 2 365.478 0.860 20 0 FCADLP COc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000367318779 216106630 /nfs/dbraw/zinc/10/66/30/216106630.db2.gz RXZJXYLTFMVUCV-INIZCTEOSA-N 2 2 365.474 0.906 20 0 FCADLP Cc1nnc(COCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000367585135 216139291 /nfs/dbraw/zinc/13/92/91/216139291.db2.gz LTKSHVYICRWMIU-OAHLLOKOSA-N 2 2 367.519 0.990 20 0 FCADLP Cc1nnc(COCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000367585135 216139294 /nfs/dbraw/zinc/13/92/94/216139294.db2.gz LTKSHVYICRWMIU-OAHLLOKOSA-N 2 2 367.519 0.990 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367947918 216183127 /nfs/dbraw/zinc/18/31/27/216183127.db2.gz NWQUTNHOWLLXSY-INIZCTEOSA-N 2 2 374.489 0.667 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367947918 216183131 /nfs/dbraw/zinc/18/31/31/216183131.db2.gz NWQUTNHOWLLXSY-INIZCTEOSA-N 2 2 374.489 0.667 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246318743 209382909 /nfs/dbraw/zinc/38/29/09/209382909.db2.gz MTNJUTVEOKHUKS-IRXDYDNUSA-N 2 2 359.536 0.702 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246318743 209382912 /nfs/dbraw/zinc/38/29/12/209382912.db2.gz MTNJUTVEOKHUKS-IRXDYDNUSA-N 2 2 359.536 0.702 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000245900923 209376335 /nfs/dbraw/zinc/37/63/35/209376335.db2.gz GCSWOEKOJYHUBX-CVEARBPZSA-N 2 2 353.511 0.569 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000245900923 209376337 /nfs/dbraw/zinc/37/63/37/209376337.db2.gz GCSWOEKOJYHUBX-CVEARBPZSA-N 2 2 353.511 0.569 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000237776961 209357992 /nfs/dbraw/zinc/35/79/92/209357992.db2.gz ZCKRTFPFCPIQRS-DLBZAZTESA-N 2 2 362.518 0.921 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237572178 209354269 /nfs/dbraw/zinc/35/42/69/209354269.db2.gz DFIIBTCWSJWKQK-BZUAXINKSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237488009 209352879 /nfs/dbraw/zinc/35/28/79/209352879.db2.gz QDJMBVLTURJJLC-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237434005 209353041 /nfs/dbraw/zinc/35/30/41/209353041.db2.gz DPDSEACYAPYQRP-DLBZAZTESA-N 2 2 360.506 0.741 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237370013 209351404 /nfs/dbraw/zinc/35/14/04/209351404.db2.gz MMJHBSZXZQZYPB-LSDHHAIUSA-N 2 2 350.507 0.824 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237323028 209351310 /nfs/dbraw/zinc/35/13/10/209351310.db2.gz WVMNUNOBVKXKSX-DLBZAZTESA-N 2 2 367.515 0.919 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237323028 209351314 /nfs/dbraw/zinc/35/13/14/209351314.db2.gz WVMNUNOBVKXKSX-DLBZAZTESA-N 2 2 367.515 0.919 20 0 FCADLP CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000236991892 209346679 /nfs/dbraw/zinc/34/66/79/209346679.db2.gz WFLJFUWSELIYSJ-HZPDHXFCSA-N 2 2 355.504 0.730 20 0 FCADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000236921879 209345925 /nfs/dbraw/zinc/34/59/25/209345925.db2.gz NLLVBRCWOAYRBR-MRXNPFEDSA-N 2 2 350.438 0.827 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000237027530 209345566 /nfs/dbraw/zinc/34/55/66/209345566.db2.gz QUGBGOFOHRSHEX-GOSISDBHSA-N 2 2 360.502 0.959 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000237027530 209345570 /nfs/dbraw/zinc/34/55/70/209345570.db2.gz QUGBGOFOHRSHEX-GOSISDBHSA-N 2 2 360.502 0.959 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360943 216238214 /nfs/dbraw/zinc/23/82/14/216238214.db2.gz LFKFEEXIBUWTGA-ROUUACIJSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360943 216238215 /nfs/dbraw/zinc/23/82/15/216238215.db2.gz LFKFEEXIBUWTGA-ROUUACIJSA-N 2 2 359.474 0.772 20 0 FCADLP Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)CC2)[nH+]c1 ZINC000194125092 209323480 /nfs/dbraw/zinc/32/34/80/209323480.db2.gz PGSRVOULEXPDNY-UHFFFAOYSA-N 2 2 373.501 0.839 20 0 FCADLP O=C(CC[N@@H+]1CCOC[C@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000193715826 209318375 /nfs/dbraw/zinc/31/83/75/209318375.db2.gz ZHNSKHUDFGJQIV-LJQANCHMSA-N 2 2 360.458 0.612 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000193715826 209318376 /nfs/dbraw/zinc/31/83/76/209318376.db2.gz ZHNSKHUDFGJQIV-LJQANCHMSA-N 2 2 360.458 0.612 20 0 FCADLP O=C(CC[N@@H+]1CCOC[C@@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000193715811 209318443 /nfs/dbraw/zinc/31/84/43/209318443.db2.gz ZHNSKHUDFGJQIV-IBGZPJMESA-N 2 2 360.458 0.612 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000193715811 209318445 /nfs/dbraw/zinc/31/84/45/209318445.db2.gz ZHNSKHUDFGJQIV-IBGZPJMESA-N 2 2 360.458 0.612 20 0 FCADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368681206 216280569 /nfs/dbraw/zinc/28/05/69/216280569.db2.gz VCLCRHPOEQFRSI-MRXNPFEDSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)NCc3ccco3)C2)CC1 ZINC000369273159 216373750 /nfs/dbraw/zinc/37/37/50/216373750.db2.gz FUICGVILHXXKOT-CQSZACIVSA-N 2 2 363.462 0.364 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)NCc3ccco3)C2)CC1 ZINC000369273159 216373752 /nfs/dbraw/zinc/37/37/52/216373752.db2.gz FUICGVILHXXKOT-CQSZACIVSA-N 2 2 363.462 0.364 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271632 216374614 /nfs/dbraw/zinc/37/46/14/216374614.db2.gz SEONWIWJFHHZBC-QGZVFWFLSA-N 2 2 361.486 0.850 20 0 FCADLP CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273697 216375312 /nfs/dbraw/zinc/37/53/12/216375312.db2.gz IRIRKPBHLLHVRL-ZBFHGGJFSA-N 2 2 368.547 0.973 20 0 FCADLP CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273697 216375316 /nfs/dbraw/zinc/37/53/16/216375316.db2.gz IRIRKPBHLLHVRL-ZBFHGGJFSA-N 2 2 368.547 0.973 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c4nc(=O)[nH]c(=O)c-4c3)C2)CC1 ZINC000369275807 216376484 /nfs/dbraw/zinc/37/64/84/216376484.db2.gz YWTIZKBLXVRQKE-GFCCVEGCSA-N 2 2 372.429 0.334 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c4nc(=O)[nH]c(=O)c-4c3)C2)CC1 ZINC000369275807 216376486 /nfs/dbraw/zinc/37/64/86/216376486.db2.gz YWTIZKBLXVRQKE-GFCCVEGCSA-N 2 2 372.429 0.334 20 0 FCADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@](=O)C1 ZINC000369361562 216389497 /nfs/dbraw/zinc/38/94/97/216389497.db2.gz GACRJXVRFRIHGH-CPJLOUKISA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@](=O)C1 ZINC000369361562 216389499 /nfs/dbraw/zinc/38/94/99/216389499.db2.gz GACRJXVRFRIHGH-CPJLOUKISA-N 2 2 364.515 0.821 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374411 216390495 /nfs/dbraw/zinc/39/04/95/216390495.db2.gz SEPAFKSKYASYKS-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374411 216390498 /nfs/dbraw/zinc/39/04/98/216390498.db2.gz SEPAFKSKYASYKS-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374411 216390500 /nfs/dbraw/zinc/39/05/00/216390500.db2.gz SEPAFKSKYASYKS-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)CC1 ZINC000369374411 216390503 /nfs/dbraw/zinc/39/05/03/216390503.db2.gz SEPAFKSKYASYKS-MRXNPFEDSA-N 3 2 367.538 0.565 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369392307 216393730 /nfs/dbraw/zinc/39/37/30/216393730.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369392307 216393732 /nfs/dbraw/zinc/39/37/32/216393732.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392307 216393734 /nfs/dbraw/zinc/39/37/34/216393734.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP COCC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392307 216393737 /nfs/dbraw/zinc/39/37/37/216393737.db2.gz GYINZZIGTWKLGM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000189562864 209255956 /nfs/dbraw/zinc/25/59/56/209255956.db2.gz XDGBEVNGEHYRCI-MRXNPFEDSA-N 3 2 369.554 0.499 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000189562864 209255958 /nfs/dbraw/zinc/25/59/58/209255958.db2.gz XDGBEVNGEHYRCI-MRXNPFEDSA-N 3 2 369.554 0.499 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000189319273 209248525 /nfs/dbraw/zinc/24/85/25/209248525.db2.gz RKJUYNQHKQNEIB-IBGZPJMESA-N 2 2 374.529 0.638 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000188356559 209227707 /nfs/dbraw/zinc/22/77/07/209227707.db2.gz DEUNQFZTXVZTEY-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000188356559 209227710 /nfs/dbraw/zinc/22/77/10/209227710.db2.gz DEUNQFZTXVZTEY-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000188356559 209227712 /nfs/dbraw/zinc/22/77/12/209227712.db2.gz DEUNQFZTXVZTEY-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1CC(C)(C)O ZINC000188356559 209227716 /nfs/dbraw/zinc/22/77/16/209227716.db2.gz DEUNQFZTXVZTEY-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000187098570 209207043 /nfs/dbraw/zinc/20/70/43/209207043.db2.gz UAEJMPCCFWJAOT-GOSISDBHSA-N 2 2 364.490 0.673 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000187098570 209207039 /nfs/dbraw/zinc/20/70/39/209207039.db2.gz UAEJMPCCFWJAOT-GOSISDBHSA-N 2 2 364.490 0.673 20 0 FCADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186597761 209192186 /nfs/dbraw/zinc/19/21/86/209192186.db2.gz MMOAMPSAUFUDOF-HNNXBMFYSA-N 2 2 354.414 0.304 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000186985565 209205072 /nfs/dbraw/zinc/20/50/72/209205072.db2.gz GACVNJDSNCMNHQ-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000186985565 209205075 /nfs/dbraw/zinc/20/50/75/209205075.db2.gz GACVNJDSNCMNHQ-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000186985565 209205080 /nfs/dbraw/zinc/20/50/80/209205080.db2.gz GACVNJDSNCMNHQ-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000186985565 209205083 /nfs/dbraw/zinc/20/50/83/209205083.db2.gz GACVNJDSNCMNHQ-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433938 674114487 /nfs/dbraw/zinc/11/44/87/674114487.db2.gz KEEMZCGNLCBDOF-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433938 674114489 /nfs/dbraw/zinc/11/44/89/674114489.db2.gz KEEMZCGNLCBDOF-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433938 674114491 /nfs/dbraw/zinc/11/44/91/674114491.db2.gz KEEMZCGNLCBDOF-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433938 674114493 /nfs/dbraw/zinc/11/44/93/674114493.db2.gz KEEMZCGNLCBDOF-MELADBBJSA-N 2 2 366.487 0.545 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000275661736 212069723 /nfs/dbraw/zinc/06/97/23/212069723.db2.gz ODPJCBOIRXYUSK-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000275661736 212069724 /nfs/dbraw/zinc/06/97/24/212069724.db2.gz ODPJCBOIRXYUSK-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000373287303 217004221 /nfs/dbraw/zinc/00/42/21/217004221.db2.gz VAKLTAXHHCQRHB-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000373287303 217004222 /nfs/dbraw/zinc/00/42/22/217004222.db2.gz VAKLTAXHHCQRHB-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000373287303 217004223 /nfs/dbraw/zinc/00/42/23/217004223.db2.gz VAKLTAXHHCQRHB-INIZCTEOSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C[NH3+])N(C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415025421 245341300 /nfs/dbraw/zinc/34/13/00/245341300.db2.gz QXWBVOMTLCSLMK-CYBMUJFWSA-N 2 2 369.491 0.434 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415192197 245356496 /nfs/dbraw/zinc/35/64/96/245356496.db2.gz HUOXPPYDIOUTHX-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000415192197 245356504 /nfs/dbraw/zinc/35/65/04/245356504.db2.gz HUOXPPYDIOUTHX-GASCZTMLSA-N 2 2 362.474 0.912 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000373465446 217020776 /nfs/dbraw/zinc/02/07/76/217020776.db2.gz LCKJBXJHCDHWMZ-LJQANCHMSA-N 2 2 364.534 0.870 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000373465446 217020780 /nfs/dbraw/zinc/02/07/80/217020780.db2.gz LCKJBXJHCDHWMZ-LJQANCHMSA-N 2 2 364.534 0.870 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415355297 245395679 /nfs/dbraw/zinc/39/56/79/245395679.db2.gz GCQZJZZPWPSCMV-SFHVURJKSA-N 2 2 373.501 0.583 20 0 FCADLP Cc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000275303114 212003937 /nfs/dbraw/zinc/00/39/37/212003937.db2.gz QGFJKDYPIGESLS-UHFFFAOYSA-N 2 2 364.515 0.978 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000373696741 217046864 /nfs/dbraw/zinc/04/68/64/217046864.db2.gz WOAZHVMFDQSVGW-KRWDZBQOSA-N 2 2 372.535 0.216 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000373696741 217046865 /nfs/dbraw/zinc/04/68/65/217046865.db2.gz WOAZHVMFDQSVGW-KRWDZBQOSA-N 2 2 372.535 0.216 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933203 217076529 /nfs/dbraw/zinc/07/65/29/217076529.db2.gz IDAGERVLUFZNDE-CQSZACIVSA-N 2 2 366.487 0.232 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000373933203 217076533 /nfs/dbraw/zinc/07/65/33/217076533.db2.gz IDAGERVLUFZNDE-CQSZACIVSA-N 2 2 366.487 0.232 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323632 217117734 /nfs/dbraw/zinc/11/77/34/217117734.db2.gz IMGJHJQSSJLBHS-BZSNNMDCSA-N 2 2 354.539 0.876 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323632 217117737 /nfs/dbraw/zinc/11/77/37/217117737.db2.gz IMGJHJQSSJLBHS-BZSNNMDCSA-N 2 2 354.539 0.876 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1(C)C ZINC000374232544 217112126 /nfs/dbraw/zinc/11/21/26/217112126.db2.gz VVKWRQLFVCWABA-QGZVFWFLSA-N 2 2 352.523 0.772 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1(C)C ZINC000374232544 217112128 /nfs/dbraw/zinc/11/21/28/217112128.db2.gz VVKWRQLFVCWABA-QGZVFWFLSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+]1CCN(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000374232544 217112130 /nfs/dbraw/zinc/11/21/30/217112130.db2.gz VVKWRQLFVCWABA-QGZVFWFLSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+]1CCN(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000374232544 217112131 /nfs/dbraw/zinc/11/21/31/217112131.db2.gz VVKWRQLFVCWABA-QGZVFWFLSA-N 2 2 352.523 0.772 20 0 FCADLP COCC[C@@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000374453865 217130731 /nfs/dbraw/zinc/13/07/31/217130731.db2.gz WBSPPIDJEYMRAV-BEFAXECRSA-N 2 2 362.474 0.939 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)CCC2 ZINC000374418205 217127653 /nfs/dbraw/zinc/12/76/53/217127653.db2.gz DSNGKZJQAAXNCQ-MAUKXSAKSA-N 2 2 365.478 0.451 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374417476 217127700 /nfs/dbraw/zinc/12/77/00/217127700.db2.gz ASCKTDOSAFLSJA-ARFHVFGLSA-N 2 2 363.524 0.126 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374417476 217127704 /nfs/dbraw/zinc/12/77/04/217127704.db2.gz ASCKTDOSAFLSJA-ARFHVFGLSA-N 2 2 363.524 0.126 20 0 FCADLP COCCO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617585 217148538 /nfs/dbraw/zinc/14/85/38/217148538.db2.gz HVFWNLSUQYIGGE-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP COCCO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617585 217148542 /nfs/dbraw/zinc/14/85/42/217148542.db2.gz HVFWNLSUQYIGGE-SJLPKXTDSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)c1cncc(-n2ccnn2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374785432 217173421 /nfs/dbraw/zinc/17/34/21/217173421.db2.gz ZYICJEXKJCDFFQ-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1cncc(-n2ccnn2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374785432 217173423 /nfs/dbraw/zinc/17/34/23/217173423.db2.gz ZYICJEXKJCDFFQ-KRWDZBQOSA-N 2 2 369.473 0.903 20 0 FCADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374998709 217201975 /nfs/dbraw/zinc/20/19/75/217201975.db2.gz OAQDVZKWOXJJKB-INIZCTEOSA-N 2 2 372.473 0.882 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)Nc1cccc(F)c1 ZINC000374997865 217202453 /nfs/dbraw/zinc/20/24/53/217202453.db2.gz KXXOAQWUXMIMIW-UHFFFAOYSA-N 2 2 351.422 0.923 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCSC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000375220465 217233629 /nfs/dbraw/zinc/23/36/29/217233629.db2.gz LZCSUSZFQMPRLD-UHFFFAOYSA-N 2 2 371.547 0.811 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCSC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000375220465 217233632 /nfs/dbraw/zinc/23/36/32/217233632.db2.gz LZCSUSZFQMPRLD-UHFFFAOYSA-N 2 2 371.547 0.811 20 0 FCADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502837 217274058 /nfs/dbraw/zinc/27/40/58/217274058.db2.gz XBZGAEHVVXZCQV-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502837 217274063 /nfs/dbraw/zinc/27/40/63/217274063.db2.gz XBZGAEHVVXZCQV-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502837 217274068 /nfs/dbraw/zinc/27/40/68/217274068.db2.gz XBZGAEHVVXZCQV-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502837 217274071 /nfs/dbraw/zinc/27/40/71/217274071.db2.gz XBZGAEHVVXZCQV-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375718094 217303993 /nfs/dbraw/zinc/30/39/93/217303993.db2.gz RCASUHXWZIJROP-GOSISDBHSA-N 2 2 366.531 0.822 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375718094 217303996 /nfs/dbraw/zinc/30/39/96/217303996.db2.gz RCASUHXWZIJROP-GOSISDBHSA-N 2 2 366.531 0.822 20 0 FCADLP CC[C@H]([NH3+])CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417321007 245683911 /nfs/dbraw/zinc/68/39/11/245683911.db2.gz RQGKRUGPELTIRB-INIZCTEOSA-N 2 2 350.463 0.934 20 0 FCADLP CCCN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000417155502 245675297 /nfs/dbraw/zinc/67/52/97/245675297.db2.gz LHIRETZOZQVNHJ-INIZCTEOSA-N 2 2 361.494 0.382 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc(OC)c1 ZINC000375834582 217323860 /nfs/dbraw/zinc/32/38/60/217323860.db2.gz NPSANTMTRQRSAQ-MRXNPFEDSA-N 2 2 363.458 0.727 20 0 FCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000418915682 245907066 /nfs/dbraw/zinc/90/70/66/245907066.db2.gz QKPDEFLGTFICHV-QGZVFWFLSA-N 2 2 360.458 0.085 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000418906110 245903753 /nfs/dbraw/zinc/90/37/53/245903753.db2.gz QAJKTKGIXNVEGF-HUUCEWRRSA-N 2 2 355.442 0.756 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419001246 245939073 /nfs/dbraw/zinc/93/90/73/245939073.db2.gz SILLRAKOBYNEGW-UKRRQHHQSA-N 2 2 357.458 0.904 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@H]1C[NH3+] ZINC000419043770 245955996 /nfs/dbraw/zinc/95/59/96/245955996.db2.gz RRAPJQBLXJMZPY-GDBMZVCRSA-N 2 2 355.442 0.932 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419130759 246005299 /nfs/dbraw/zinc/00/52/99/246005299.db2.gz BWKJCDWNLHGTDE-OAHLLOKOSA-N 2 2 357.458 0.986 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000419132533 246007744 /nfs/dbraw/zinc/00/77/44/246007744.db2.gz DZFQJGPJZYLXDM-WBVHZDCISA-N 2 2 369.469 0.938 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419150277 246017933 /nfs/dbraw/zinc/01/79/33/246017933.db2.gz LABCUUUFCAGEOI-UHFFFAOYSA-N 2 2 357.458 0.810 20 0 FCADLP C[C@]1(CNC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[NH2+]C1 ZINC000419210173 246057853 /nfs/dbraw/zinc/05/78/53/246057853.db2.gz UNKMAHUBNFFMGW-IBGZPJMESA-N 2 2 359.474 0.804 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[NH2+]1 ZINC000419306311 246093628 /nfs/dbraw/zinc/09/36/28/246093628.db2.gz MHHYYOBKHCBDGS-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[NH2+]1 ZINC000419313534 246095919 /nfs/dbraw/zinc/09/59/19/246095919.db2.gz SVWSFVMRHDKHCP-HNNXBMFYSA-N 2 2 359.474 0.899 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000419362412 246119157 /nfs/dbraw/zinc/11/91/57/246119157.db2.gz VBOBJAZHVPHIMJ-UHFFFAOYSA-N 2 2 367.453 0.596 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419452678 246170571 /nfs/dbraw/zinc/17/05/71/246170571.db2.gz PVOBQVBYJMFENS-DLBZAZTESA-N 2 2 373.501 0.134 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419452680 246170762 /nfs/dbraw/zinc/17/07/62/246170762.db2.gz PVOBQVBYJMFENS-IRXDYDNUSA-N 2 2 373.501 0.134 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000419480487 246177809 /nfs/dbraw/zinc/17/78/09/246177809.db2.gz NMFGXBVFGCKDNI-KRWDZBQOSA-N 2 2 367.538 0.121 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000419640662 246226161 /nfs/dbraw/zinc/22/61/61/246226161.db2.gz KTNAAJDQHCSATB-YOEHRIQHSA-N 2 2 355.442 0.662 20 0 FCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419643722 246228695 /nfs/dbraw/zinc/22/86/95/246228695.db2.gz NMGGRRWFXWRCIB-KRWDZBQOSA-N 2 2 355.442 0.806 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000419721989 246270168 /nfs/dbraw/zinc/27/01/68/246270168.db2.gz CVKOTRBRTMPBAQ-HZPDHXFCSA-N 2 2 359.474 0.800 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000419810670 246304175 /nfs/dbraw/zinc/30/41/75/246304175.db2.gz XRHJOSJPOHBMID-OAHLLOKOSA-N 2 2 352.479 0.087 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844058 246316097 /nfs/dbraw/zinc/31/60/97/246316097.db2.gz KQEOJCBKIPDBIQ-INIZCTEOSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844058 246316105 /nfs/dbraw/zinc/31/61/05/246316105.db2.gz KQEOJCBKIPDBIQ-INIZCTEOSA-N 2 2 358.486 0.978 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000419845520 246318784 /nfs/dbraw/zinc/31/87/84/246318784.db2.gz NZHCBLCYRQFQJY-OAHLLOKOSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000419853343 246323384 /nfs/dbraw/zinc/32/33/84/246323384.db2.gz AOISZSZEHPKQGS-RDTXWAMCSA-N 2 2 374.485 0.754 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419863808 246332525 /nfs/dbraw/zinc/33/25/25/246332525.db2.gz AHFBDYMTMBETGD-PVAVHDDUSA-N 2 2 359.474 0.673 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419910341 246364602 /nfs/dbraw/zinc/36/46/02/246364602.db2.gz OUYDSDPKEJDZLS-RMKNXTFCSA-N 2 2 358.486 0.960 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000419911358 246365213 /nfs/dbraw/zinc/36/52/13/246365213.db2.gz SMIMUDQAQQUNKS-UHFFFAOYSA-N 2 2 362.474 0.455 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419914948 246366126 /nfs/dbraw/zinc/36/61/26/246366126.db2.gz OODXKYDKBZIYHN-KRWDZBQOSA-N 2 2 374.485 0.325 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419922004 246370978 /nfs/dbraw/zinc/37/09/78/246370978.db2.gz YXOUEUIHSAYKFK-BQHGXPCASA-N 2 2 370.497 0.960 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000419922071 246371781 /nfs/dbraw/zinc/37/17/81/246371781.db2.gz OIZJQBGNDXODBI-NCRRVARUSA-N 2 2 356.470 0.570 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000419893362 246354926 /nfs/dbraw/zinc/35/49/26/246354926.db2.gz PUQVDMKEGLHVHY-OAHLLOKOSA-N 2 2 374.489 0.425 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419900876 246359532 /nfs/dbraw/zinc/35/95/32/246359532.db2.gz RXKWLQFFURFUII-MRXNPFEDSA-N 2 2 360.458 0.208 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000420128908 246485738 /nfs/dbraw/zinc/48/57/38/246485738.db2.gz QFEIRTFZLSENJJ-SJORKVTESA-N 2 2 374.485 0.466 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000423344425 247008316 /nfs/dbraw/zinc/00/83/16/247008316.db2.gz MTZGBXRKVHXJKA-ZQIUZPCESA-N 2 2 363.458 0.802 20 0 FCADLP CC(C)[C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)[NH3+] ZINC000423372040 247013943 /nfs/dbraw/zinc/01/39/43/247013943.db2.gz QWIXANPXMZBDJO-QAPCUYQASA-N 2 2 361.490 0.856 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000423376329 247014807 /nfs/dbraw/zinc/01/48/07/247014807.db2.gz UZFONWHLBDDYBG-OAHLLOKOSA-N 2 2 354.495 0.141 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375099 247015771 /nfs/dbraw/zinc/01/57/71/247015771.db2.gz ITHTWMKCGJQWSR-ABAIWWIYSA-N 2 2 354.401 0.668 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375099 247015775 /nfs/dbraw/zinc/01/57/75/247015775.db2.gz ITHTWMKCGJQWSR-ABAIWWIYSA-N 2 2 354.401 0.668 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423377006 247016225 /nfs/dbraw/zinc/01/62/25/247016225.db2.gz VLSJJINXGUDYSP-JKSUJKDBSA-N 2 2 354.495 0.141 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000423382839 247017663 /nfs/dbraw/zinc/01/76/63/247017663.db2.gz IUMJLHDMFDMPFO-STQMWFEESA-N 2 2 355.460 0.470 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1c(F)cccc1F ZINC000423409620 247021708 /nfs/dbraw/zinc/02/17/08/247021708.db2.gz CARHQTZGCPYUTH-AWEZNQCLSA-N 2 2 352.389 0.938 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423307864 247000835 /nfs/dbraw/zinc/00/08/35/247000835.db2.gz HYLJYPBVYOFARI-QXCFHYIPSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423307864 247000839 /nfs/dbraw/zinc/00/08/39/247000839.db2.gz HYLJYPBVYOFARI-QXCFHYIPSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423307861 247000988 /nfs/dbraw/zinc/00/09/88/247000988.db2.gz HYLJYPBVYOFARI-LULLPPNCSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423307861 247000993 /nfs/dbraw/zinc/00/09/93/247000993.db2.gz HYLJYPBVYOFARI-LULLPPNCSA-N 2 2 370.497 0.915 20 0 FCADLP COC[C@@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[NH2+]C1 ZINC000423305761 247001225 /nfs/dbraw/zinc/00/12/25/247001225.db2.gz CSDNRRYAKKRLLW-LJQANCHMSA-N 2 2 357.458 0.605 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000423337209 247007409 /nfs/dbraw/zinc/00/74/09/247007409.db2.gz TYLMQTUZSKPFIN-JKSUJKDBSA-N 2 2 354.495 0.141 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000423549606 247048283 /nfs/dbraw/zinc/04/82/83/247048283.db2.gz HVYUGJUMWCOTNA-WBVHZDCISA-N 2 2 374.485 0.678 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000423549606 247048288 /nfs/dbraw/zinc/04/82/88/247048288.db2.gz HVYUGJUMWCOTNA-WBVHZDCISA-N 2 2 374.485 0.678 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000423599549 247068390 /nfs/dbraw/zinc/06/83/90/247068390.db2.gz YADHVPFTGBAAGC-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000423599549 247068395 /nfs/dbraw/zinc/06/83/95/247068395.db2.gz YADHVPFTGBAAGC-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423439370 247027623 /nfs/dbraw/zinc/02/76/23/247027623.db2.gz WKMYZHFVDQBOPY-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000423673260 247105425 /nfs/dbraw/zinc/10/54/25/247105425.db2.gz OXHNTLSAOGWPJP-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423673885 247105812 /nfs/dbraw/zinc/10/58/12/247105812.db2.gz OZTFOJXHJOHLSO-IRXDYDNUSA-N 2 2 374.485 0.405 20 0 FCADLP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000423685953 247109837 /nfs/dbraw/zinc/10/98/37/247109837.db2.gz YRAARXWOHQQNEF-SFHVURJKSA-N 2 2 374.485 0.297 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000423688432 247110259 /nfs/dbraw/zinc/11/02/59/247110259.db2.gz WUYUNNVHDONQPN-DOTOQJQBSA-N 3 2 367.538 0.199 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000423688432 247110262 /nfs/dbraw/zinc/11/02/62/247110262.db2.gz WUYUNNVHDONQPN-DOTOQJQBSA-N 3 2 367.538 0.199 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000423612508 247074192 /nfs/dbraw/zinc/07/41/92/247074192.db2.gz UHYMXTAKNAVPCQ-AWEZNQCLSA-N 2 2 350.488 0.732 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423615244 247077862 /nfs/dbraw/zinc/07/78/62/247077862.db2.gz YKDHWGBMAZXBPU-OAHLLOKOSA-N 2 2 360.458 0.160 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000423646902 247090562 /nfs/dbraw/zinc/09/05/62/247090562.db2.gz ZUNPZIIJOBPKCD-IAGOWNOFSA-N 2 2 374.485 0.418 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423674507 247104570 /nfs/dbraw/zinc/10/45/70/247104570.db2.gz DAUAKXQKVYEUMG-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423674507 247104574 /nfs/dbraw/zinc/10/45/74/247104574.db2.gz DAUAKXQKVYEUMG-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)c1 ZINC000423816359 247143224 /nfs/dbraw/zinc/14/32/24/247143224.db2.gz XPQMLAAIRFYFNX-KRWDZBQOSA-N 2 2 351.447 0.582 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH2+]C[C@H]2CCCO2)cn1 ZINC000423918486 247150140 /nfs/dbraw/zinc/15/01/40/247150140.db2.gz POJLXAGYRAOSGA-HRCADAONSA-N 2 2 353.442 0.217 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000423701004 247115397 /nfs/dbraw/zinc/11/53/97/247115397.db2.gz VUUBTEKUDUWWJI-JYJNAYRXSA-N 2 2 361.490 0.930 20 0 FCADLP O=C(C(=O)N1CC[NH+](CCOc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423716285 247122816 /nfs/dbraw/zinc/12/28/16/247122816.db2.gz WIAABOQIYXIIDD-AEFFLSMTSA-N 2 2 372.469 0.030 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000423717112 247123214 /nfs/dbraw/zinc/12/32/14/247123214.db2.gz JPHYVUQWNPBZOC-LSDHHAIUSA-N 2 2 362.474 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@H](C)O1 ZINC000423739075 247135287 /nfs/dbraw/zinc/13/52/87/247135287.db2.gz QZGCKOSHNRNBGS-CAOSSQGBSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C[C@H](C)O1 ZINC000423739075 247135291 /nfs/dbraw/zinc/13/52/91/247135291.db2.gz QZGCKOSHNRNBGS-CAOSSQGBSA-N 2 2 354.495 0.140 20 0 FCADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424298585 247195761 /nfs/dbraw/zinc/19/57/61/247195761.db2.gz DPAUZBGIWOSPJI-VXGBXAGGSA-N 2 2 360.867 0.785 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000424338181 247197877 /nfs/dbraw/zinc/19/78/77/247197877.db2.gz UAJYIQBDNRKQPO-DAXOMENPSA-N 2 2 368.503 0.241 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000424125540 247169380 /nfs/dbraw/zinc/16/93/80/247169380.db2.gz AFKZLTVMAGSLMA-GOEBONIOSA-N 2 2 350.467 0.289 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000425383050 247329921 /nfs/dbraw/zinc/32/99/21/247329921.db2.gz JPPUZSDMHJBJJC-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425323272 247322716 /nfs/dbraw/zinc/32/27/16/247322716.db2.gz IUBWQALGXJYTGH-HNNXBMFYSA-N 2 2 366.510 0.145 20 0 FCADLP COCCOCCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562073 248000218 /nfs/dbraw/zinc/00/02/18/248000218.db2.gz BHMLTYSWNAOUEM-OAHLLOKOSA-N 2 2 350.463 0.944 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435565528 248000766 /nfs/dbraw/zinc/00/07/66/248000766.db2.gz SWMKAMCPLZFUPV-HNNXBMFYSA-N 2 2 368.441 0.699 20 0 FCADLP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCNC(=O)C1 ZINC000435692007 248010505 /nfs/dbraw/zinc/01/05/05/248010505.db2.gz IKJYMPQREOVLPN-OAHLLOKOSA-N 2 2 362.499 0.651 20 0 FCADLP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCNC(=O)C1 ZINC000435692007 248010509 /nfs/dbraw/zinc/01/05/09/248010509.db2.gz IKJYMPQREOVLPN-OAHLLOKOSA-N 2 2 362.499 0.651 20 0 FCADLP CCn1cc[nH+]c1CN(CC(=O)N1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698210 248013635 /nfs/dbraw/zinc/01/36/35/248013635.db2.gz VIRAWRYUKUUCBD-MRXNPFEDSA-N 2 2 361.490 0.706 20 0 FCADLP O=C(CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000436296012 248037053 /nfs/dbraw/zinc/03/70/53/248037053.db2.gz QMZAEJXJLWOPHR-OXQOHEQNSA-N 2 2 371.485 0.626 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000440266969 248164733 /nfs/dbraw/zinc/16/47/33/248164733.db2.gz KWIDWTPILSMNNZ-CYBMUJFWSA-N 2 2 361.446 0.288 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000440266969 248164735 /nfs/dbraw/zinc/16/47/35/248164735.db2.gz KWIDWTPILSMNNZ-CYBMUJFWSA-N 2 2 361.446 0.288 20 0 FCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000441345771 248249668 /nfs/dbraw/zinc/24/96/68/248249668.db2.gz HPQXCBPESCRHOV-HNAYVOBHSA-N 2 2 374.485 0.249 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000442759887 248296063 /nfs/dbraw/zinc/29/60/63/248296063.db2.gz FJFLFVZKTAEUOQ-RDBSUJKOSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000442759887 248296065 /nfs/dbraw/zinc/29/60/65/248296065.db2.gz FJFLFVZKTAEUOQ-RDBSUJKOSA-N 2 2 350.438 0.788 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442822918 248298375 /nfs/dbraw/zinc/29/83/75/248298375.db2.gz YFOIZKZVKXZUNP-HNAYVOBHSA-N 2 2 369.506 0.877 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H]1CO ZINC000442897768 248298596 /nfs/dbraw/zinc/29/85/96/248298596.db2.gz YXXYBCSLHAZJFZ-QFBILLFUSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H]1CO ZINC000442897768 248298599 /nfs/dbraw/zinc/29/85/99/248298599.db2.gz YXXYBCSLHAZJFZ-QFBILLFUSA-N 2 2 361.486 0.838 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000444179764 248349768 /nfs/dbraw/zinc/34/97/68/248349768.db2.gz FTZPAPGNQNGMFX-FXAWDEMLSA-N 2 2 372.469 0.687 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445863874 248378875 /nfs/dbraw/zinc/37/88/75/248378875.db2.gz YXQYJANPZRYXOH-MRXNPFEDSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)[N@H+]1CCO ZINC000453947663 249393378 /nfs/dbraw/zinc/39/33/78/249393378.db2.gz XNZZMRFSJGIZNS-GASCZTMLSA-N 2 2 371.441 0.724 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)[N@@H+]1CCO ZINC000453947663 249393384 /nfs/dbraw/zinc/39/33/84/249393384.db2.gz XNZZMRFSJGIZNS-GASCZTMLSA-N 2 2 371.441 0.724 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000271285284 211372342 /nfs/dbraw/zinc/37/23/42/211372342.db2.gz OUFXNAJXMCBHCC-HXUWFJFHSA-N 2 2 374.529 0.938 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000271285284 211372351 /nfs/dbraw/zinc/37/23/51/211372351.db2.gz OUFXNAJXMCBHCC-HXUWFJFHSA-N 2 2 374.529 0.938 20 0 FCADLP CS[C@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1[NH+](C)C ZINC000270415485 211198045 /nfs/dbraw/zinc/19/80/45/211198045.db2.gz BXVRNHBRWUIIOB-HOTGVXAUSA-N 2 2 363.531 0.708 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000470687936 250058446 /nfs/dbraw/zinc/05/84/46/250058446.db2.gz IISZDKHYPJTSHC-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964908 250083738 /nfs/dbraw/zinc/08/37/38/250083738.db2.gz BVBNHXQLIGHFOB-KRWDZBQOSA-N 2 2 362.518 0.731 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964908 250083741 /nfs/dbraw/zinc/08/37/41/250083741.db2.gz BVBNHXQLIGHFOB-KRWDZBQOSA-N 2 2 362.518 0.731 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964908 250083743 /nfs/dbraw/zinc/08/37/43/250083743.db2.gz BVBNHXQLIGHFOB-KRWDZBQOSA-N 2 2 362.518 0.731 20 0 FCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000470964908 250083745 /nfs/dbraw/zinc/08/37/45/250083745.db2.gz BVBNHXQLIGHFOB-KRWDZBQOSA-N 2 2 362.518 0.731 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471648007 250110943 /nfs/dbraw/zinc/11/09/43/250110943.db2.gz KGWMZLJDVGFHIC-GOSISDBHSA-N 2 2 364.490 0.765 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471648007 250110948 /nfs/dbraw/zinc/11/09/48/250110948.db2.gz KGWMZLJDVGFHIC-GOSISDBHSA-N 2 2 364.490 0.765 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000471644591 250111007 /nfs/dbraw/zinc/11/10/07/250111007.db2.gz WEBNRPMAGTWQAR-OAHLLOKOSA-N 2 2 370.519 0.999 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000471640983 250111344 /nfs/dbraw/zinc/11/13/44/250111344.db2.gz CVCKOSZJLJHYPQ-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP C[NH+](C)CCOCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000471638298 250112292 /nfs/dbraw/zinc/11/22/92/250112292.db2.gz RIUBBFOSXXMSBL-SFHVURJKSA-N 2 2 364.490 0.937 20 0 FCADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000471795359 250120299 /nfs/dbraw/zinc/12/02/99/250120299.db2.gz ZWUAXKLRPQGDRJ-MSOLQXFVSA-N 2 2 358.486 0.617 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472135447 250133846 /nfs/dbraw/zinc/13/38/46/250133846.db2.gz YZSJCTRXVBIZFR-QZTJIDSGSA-N 2 2 368.570 0.338 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000472135447 250133851 /nfs/dbraw/zinc/13/38/51/250133851.db2.gz YZSJCTRXVBIZFR-QZTJIDSGSA-N 2 2 368.570 0.338 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000472594688 250164550 /nfs/dbraw/zinc/16/45/50/250164550.db2.gz CSSSSUFKTHDXTB-YJBOKZPZSA-N 2 2 369.506 0.875 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000472951526 250190057 /nfs/dbraw/zinc/19/00/57/250190057.db2.gz MVKOLAMFZLHIFC-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000480888411 250291672 /nfs/dbraw/zinc/29/16/72/250291672.db2.gz YVQNHPQWKQRLJV-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000480888411 250291677 /nfs/dbraw/zinc/29/16/77/250291677.db2.gz YVQNHPQWKQRLJV-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000480917876 250296441 /nfs/dbraw/zinc/29/64/41/250296441.db2.gz PTJZYWWHVIDNMY-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000480917876 250296445 /nfs/dbraw/zinc/29/64/45/250296445.db2.gz PTJZYWWHVIDNMY-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP CC(=O)N[C@H](C)C1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000481146239 250317112 /nfs/dbraw/zinc/31/71/12/250317112.db2.gz QJXVYKBLVLUZJS-OAHLLOKOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000481635569 250347610 /nfs/dbraw/zinc/34/76/10/250347610.db2.gz UQRZDDMXURPIMI-IMJJTQAJSA-N 2 2 353.511 0.839 20 0 FCADLP C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000481635569 250347613 /nfs/dbraw/zinc/34/76/13/250347613.db2.gz UQRZDDMXURPIMI-IMJJTQAJSA-N 2 2 353.511 0.839 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000481831024 250365196 /nfs/dbraw/zinc/36/51/96/250365196.db2.gz QYOGRNKFGFSHOB-WOJBJXKFSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000481831024 250365199 /nfs/dbraw/zinc/36/51/99/250365199.db2.gz QYOGRNKFGFSHOB-WOJBJXKFSA-N 2 2 372.513 0.874 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853882 250367761 /nfs/dbraw/zinc/36/77/61/250367761.db2.gz DRWIVJHFBMKPRO-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000481853882 250367764 /nfs/dbraw/zinc/36/77/64/250367764.db2.gz DRWIVJHFBMKPRO-HOTGVXAUSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000481879717 250369798 /nfs/dbraw/zinc/36/97/98/250369798.db2.gz RGEUHURDGOQTJG-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481879717 250369802 /nfs/dbraw/zinc/36/98/02/250369802.db2.gz RGEUHURDGOQTJG-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000482034106 250375018 /nfs/dbraw/zinc/37/50/18/250375018.db2.gz QDCYRIHZYDZEAV-LBPRGKRZSA-N 2 2 364.412 0.539 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000484284879 250502555 /nfs/dbraw/zinc/50/25/55/250502555.db2.gz QBWDTPLKBTWINZ-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000074110590 208051973 /nfs/dbraw/zinc/05/19/73/208051973.db2.gz QNCVTFRNPQCOLL-OKZBNKHCSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1=O ZINC000074197628 208052170 /nfs/dbraw/zinc/05/21/70/208052170.db2.gz RBCPEJYGVCCITA-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP CCN(C1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC000066884422 208018261 /nfs/dbraw/zinc/01/82/61/208018261.db2.gz UUOVYKPXPINTPQ-HNNXBMFYSA-N 2 2 374.551 0.285 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000069140748 208032128 /nfs/dbraw/zinc/03/21/28/208032128.db2.gz CURMWQQLXWFPGO-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000069397939 208034114 /nfs/dbraw/zinc/03/41/14/208034114.db2.gz GDXLOBJIAJUTIU-UHFFFAOYSA-N 2 2 372.473 0.729 20 0 FCADLP C[C@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000074372327 208055143 /nfs/dbraw/zinc/05/51/43/208055143.db2.gz OJRFNNSJEJGFCL-MSOLQXFVSA-N 2 2 368.522 0.851 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1=O ZINC000081801100 208103511 /nfs/dbraw/zinc/10/35/11/208103511.db2.gz ARJGCEPKPBPNKE-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1=O ZINC000081801100 208103516 /nfs/dbraw/zinc/10/35/16/208103516.db2.gz ARJGCEPKPBPNKE-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000077344123 208073454 /nfs/dbraw/zinc/07/34/54/208073454.db2.gz GMSUHNLFSTVLEY-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1=O ZINC000086247507 208112330 /nfs/dbraw/zinc/11/23/30/208112330.db2.gz XKFIZWWTMLGHQG-QGZVFWFLSA-N 2 2 374.485 0.447 20 0 FCADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)CS(C)(=O)=O ZINC000093390953 208158549 /nfs/dbraw/zinc/15/85/49/208158549.db2.gz BHTKVTQTSOAHQU-CQSZACIVSA-N 2 2 355.508 0.483 20 0 FCADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)CS(C)(=O)=O ZINC000093390953 208158552 /nfs/dbraw/zinc/15/85/52/208158552.db2.gz BHTKVTQTSOAHQU-CQSZACIVSA-N 2 2 355.508 0.483 20 0 FCADLP C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000093159313 208154328 /nfs/dbraw/zinc/15/43/28/208154328.db2.gz UNVYLQOCBVZNAZ-INIZCTEOSA-N 2 2 350.507 0.731 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000105077884 208189415 /nfs/dbraw/zinc/18/94/15/208189415.db2.gz NEUUUZVBJMMZFH-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000105077884 208189420 /nfs/dbraw/zinc/18/94/20/208189420.db2.gz NEUUUZVBJMMZFH-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105301177 208195982 /nfs/dbraw/zinc/19/59/82/208195982.db2.gz NWPFXXFXYQRRCI-SJORKVTESA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@@H](C)[NH+]1CCOCC1 ZINC000105739471 208203077 /nfs/dbraw/zinc/20/30/77/208203077.db2.gz SYMTXQWZJBBAKH-ZIAGYGMSSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@@H](C)[NH+]1CCOCC1 ZINC000105739471 208203082 /nfs/dbraw/zinc/20/30/82/208203082.db2.gz SYMTXQWZJBBAKH-ZIAGYGMSSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000106529965 208226578 /nfs/dbraw/zinc/22/65/78/208226578.db2.gz IMBCZOQAUOTNIH-KRWDZBQOSA-N 2 2 359.518 0.980 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000106529965 208226581 /nfs/dbraw/zinc/22/65/81/208226581.db2.gz IMBCZOQAUOTNIH-KRWDZBQOSA-N 2 2 359.518 0.980 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000106529965 208226586 /nfs/dbraw/zinc/22/65/86/208226586.db2.gz IMBCZOQAUOTNIH-KRWDZBQOSA-N 2 2 359.518 0.980 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000106529965 208226593 /nfs/dbraw/zinc/22/65/93/208226593.db2.gz IMBCZOQAUOTNIH-KRWDZBQOSA-N 2 2 359.518 0.980 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000111266404 208278203 /nfs/dbraw/zinc/27/82/03/208278203.db2.gz PQKRWIMWDFGQQF-QGZVFWFLSA-N 2 2 374.485 0.915 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000111266404 208278210 /nfs/dbraw/zinc/27/82/10/208278210.db2.gz PQKRWIMWDFGQQF-QGZVFWFLSA-N 2 2 374.485 0.915 20 0 FCADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000117061281 208340691 /nfs/dbraw/zinc/34/06/91/208340691.db2.gz NJTGVRQEOURPOS-UHFFFAOYSA-N 2 2 368.865 0.993 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000266444932 210336885 /nfs/dbraw/zinc/33/68/85/210336885.db2.gz APDAHNXLLCGYNA-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000266444932 210336889 /nfs/dbraw/zinc/33/68/89/210336889.db2.gz APDAHNXLLCGYNA-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000266196804 210302010 /nfs/dbraw/zinc/30/20/10/210302010.db2.gz VKVAYUYJVBSALG-GFCCVEGCSA-N 2 2 354.476 0.735 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127898 210288031 /nfs/dbraw/zinc/28/80/31/210288031.db2.gz CUILLZLIBZNRLT-ZIAGYGMSSA-N 2 2 362.478 0.241 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127898 210288036 /nfs/dbraw/zinc/28/80/36/210288036.db2.gz CUILLZLIBZNRLT-ZIAGYGMSSA-N 2 2 362.478 0.241 20 0 FCADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000176635939 209009021 /nfs/dbraw/zinc/00/90/21/209009021.db2.gz ATDBWYNWZUHBPA-HOTGVXAUSA-N 2 2 359.536 0.843 20 0 FCADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000176635939 209009022 /nfs/dbraw/zinc/00/90/22/209009022.db2.gz ATDBWYNWZUHBPA-HOTGVXAUSA-N 2 2 359.536 0.843 20 0 FCADLP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000177329990 209021410 /nfs/dbraw/zinc/02/14/10/209021410.db2.gz RCYKHNPMERZJRK-QGZVFWFLSA-N 3 2 360.506 0.966 20 0 FCADLP C[NH+]1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000177330003 209021664 /nfs/dbraw/zinc/02/16/64/209021664.db2.gz RCYKHNPMERZJRK-KRWDZBQOSA-N 3 2 360.506 0.966 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)CC1 ZINC000178172069 209044899 /nfs/dbraw/zinc/04/48/99/209044899.db2.gz BPBCYGPDEFTION-AWEZNQCLSA-N 2 2 374.489 0.437 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178199580 209045949 /nfs/dbraw/zinc/04/59/49/209045949.db2.gz FGHYOCRFLCQZMC-AWEZNQCLSA-N 2 2 362.478 0.247 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178199580 209045952 /nfs/dbraw/zinc/04/59/52/209045952.db2.gz FGHYOCRFLCQZMC-AWEZNQCLSA-N 2 2 362.478 0.247 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCCN1CCOC1=O ZINC000178499220 209052677 /nfs/dbraw/zinc/05/26/77/209052677.db2.gz VNDZNFRXGUPJBT-KRWDZBQOSA-N 2 2 371.441 0.760 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178803477 209061101 /nfs/dbraw/zinc/06/11/01/209061101.db2.gz HONATVDUFFKUOF-SUMDDJOVSA-N 2 2 374.485 0.372 20 0 FCADLP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1COCC[NH2+]1 ZINC000178876569 209064492 /nfs/dbraw/zinc/06/44/92/209064492.db2.gz WGLBCZZYOPMDBQ-LJQANCHMSA-N 2 2 360.502 0.689 20 0 FCADLP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1COCC[NH2+]1 ZINC000178876569 209064494 /nfs/dbraw/zinc/06/44/94/209064494.db2.gz WGLBCZZYOPMDBQ-LJQANCHMSA-N 2 2 360.502 0.689 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000178876049 209063129 /nfs/dbraw/zinc/06/31/29/209063129.db2.gz HWULXXMXEOAKIV-SFHVURJKSA-N 2 2 366.469 0.429 20 0 FCADLP CCCn1nc(C)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000178904170 209065546 /nfs/dbraw/zinc/06/55/46/209065546.db2.gz FIMCTHXWHBKTRU-QGZVFWFLSA-N 2 2 363.506 0.933 20 0 FCADLP Cc1ccc2ncc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2c1 ZINC000178907487 209066211 /nfs/dbraw/zinc/06/62/11/209066211.db2.gz JNKDWXHKGSRIRJ-INIZCTEOSA-N 2 2 357.458 0.665 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@H+](C)C1 ZINC000413264286 533482649 /nfs/dbraw/zinc/48/26/49/533482649.db2.gz NFGZFOICMWPIBB-AWEZNQCLSA-N 2 2 359.430 0.889 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[N@@H+](C)C1 ZINC000413264286 533482652 /nfs/dbraw/zinc/48/26/52/533482652.db2.gz NFGZFOICMWPIBB-AWEZNQCLSA-N 2 2 359.430 0.889 20 0 FCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175711348 533674417 /nfs/dbraw/zinc/67/44/17/533674417.db2.gz PJIZVMMQJJPZIL-SJORKVTESA-N 2 2 370.538 0.831 20 0 FCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175711348 533674427 /nfs/dbraw/zinc/67/44/27/533674427.db2.gz PJIZVMMQJJPZIL-SJORKVTESA-N 2 2 370.538 0.831 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000179320295 209075779 /nfs/dbraw/zinc/07/57/79/209075779.db2.gz JBRVZUCZLNDKII-CVEARBPZSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000165028335 229203570 /nfs/dbraw/zinc/20/35/70/229203570.db2.gz SFLLEXNANJXVBM-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CCS(=O)(=O)N1CC(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000190084674 229257936 /nfs/dbraw/zinc/25/79/36/229257936.db2.gz XXCJQKMFURZUTG-UHFFFAOYSA-N 2 2 373.442 0.904 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000194982103 229272225 /nfs/dbraw/zinc/27/22/25/229272225.db2.gz FRQDZTCYFHZLLH-YESZJQIVSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000194982103 229272227 /nfs/dbraw/zinc/27/22/27/229272227.db2.gz FRQDZTCYFHZLLH-YESZJQIVSA-N 2 2 356.511 0.705 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000238125221 229276391 /nfs/dbraw/zinc/27/63/91/229276391.db2.gz QHDAELJXEKHWOV-WBVHZDCISA-N 2 2 369.469 0.984 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000410429302 230075123 /nfs/dbraw/zinc/07/51/23/230075123.db2.gz AKBPHSMDMZTGFO-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000410429302 230075128 /nfs/dbraw/zinc/07/51/28/230075128.db2.gz AKBPHSMDMZTGFO-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000410467810 230091180 /nfs/dbraw/zinc/09/11/80/230091180.db2.gz ADJFUGVXCIZJAK-INIZCTEOSA-N 2 2 359.474 0.591 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410467810 230091184 /nfs/dbraw/zinc/09/11/84/230091184.db2.gz ADJFUGVXCIZJAK-INIZCTEOSA-N 2 2 359.474 0.591 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410498038 230103952 /nfs/dbraw/zinc/10/39/52/230103952.db2.gz MGIRVTUHDSTBBY-RDJZCZTQSA-N 2 2 358.442 0.756 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410498038 230103956 /nfs/dbraw/zinc/10/39/56/230103956.db2.gz MGIRVTUHDSTBBY-RDJZCZTQSA-N 2 2 358.442 0.756 20 0 FCADLP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000410602951 230149160 /nfs/dbraw/zinc/14/91/60/230149160.db2.gz ADIFEDDRNXSEBB-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699463 230195712 /nfs/dbraw/zinc/19/57/12/230195712.db2.gz HHFLVKMLYVWMMW-IRXDYDNUSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699463 230195717 /nfs/dbraw/zinc/19/57/17/230195717.db2.gz HHFLVKMLYVWMMW-IRXDYDNUSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698696 230195754 /nfs/dbraw/zinc/19/57/54/230195754.db2.gz NUQIUNZJDJLVKP-CVEARBPZSA-N 2 2 374.489 0.139 20 0 FCADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410698696 230195756 /nfs/dbraw/zinc/19/57/56/230195756.db2.gz NUQIUNZJDJLVKP-CVEARBPZSA-N 2 2 374.489 0.139 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410893453 230292480 /nfs/dbraw/zinc/29/24/80/230292480.db2.gz YVGOQAIPRHVWJN-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000410947982 230319290 /nfs/dbraw/zinc/31/92/90/230319290.db2.gz SEEJVKWFOOGUTF-OAHLLOKOSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000410947982 230319293 /nfs/dbraw/zinc/31/92/93/230319293.db2.gz SEEJVKWFOOGUTF-OAHLLOKOSA-N 2 2 370.563 0.825 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000363649472 488869111 /nfs/dbraw/zinc/86/91/11/488869111.db2.gz ZRFMUBYAXMOZSI-YJBOKZPZSA-N 2 2 368.547 0.925 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000363649472 488869113 /nfs/dbraw/zinc/86/91/13/488869113.db2.gz ZRFMUBYAXMOZSI-YJBOKZPZSA-N 2 2 368.547 0.925 20 0 FCADLP CN1CCN(c2cc(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)nc[nH+]2)CC1=O ZINC000363711472 488877393 /nfs/dbraw/zinc/87/73/93/488877393.db2.gz YVDZNGKTKPVYBV-JKSUJKDBSA-N 2 2 374.489 0.810 20 0 FCADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000301396705 488880350 /nfs/dbraw/zinc/88/03/50/488880350.db2.gz NBXDSIJHNTXMIG-IRXDYDNUSA-N 2 2 361.490 0.986 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363833077 488890867 /nfs/dbraw/zinc/89/08/67/488890867.db2.gz WXGUEOMVACJCDB-NJAFHUGGSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363833077 488890869 /nfs/dbraw/zinc/89/08/69/488890869.db2.gz WXGUEOMVACJCDB-NJAFHUGGSA-N 2 2 368.522 0.990 20 0 FCADLP C[N@H+]1C[C@H]2CN(c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cn3)C[C@H]2C1 ZINC000302850519 488892160 /nfs/dbraw/zinc/89/21/60/488892160.db2.gz IRIBHMAXQSGTDB-GASCZTMLSA-N 2 2 365.503 0.016 20 0 FCADLP C[N@@H+]1C[C@H]2CN(c3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cn3)C[C@H]2C1 ZINC000302850519 488892161 /nfs/dbraw/zinc/89/21/61/488892161.db2.gz IRIBHMAXQSGTDB-GASCZTMLSA-N 2 2 365.503 0.016 20 0 FCADLP O=C(CC[N@@H+]1CCN2C(=O)OC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363835700 488890713 /nfs/dbraw/zinc/89/07/13/488890713.db2.gz WLRGYKIAPHSRFP-OAHLLOKOSA-N 2 2 359.430 0.257 20 0 FCADLP O=C(CC[N@H+]1CCN2C(=O)OC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363835700 488890716 /nfs/dbraw/zinc/89/07/16/488890716.db2.gz WLRGYKIAPHSRFP-OAHLLOKOSA-N 2 2 359.430 0.257 20 0 FCADLP CN(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363914435 488900052 /nfs/dbraw/zinc/90/00/52/488900052.db2.gz XENOWOKUFCVEAM-INIZCTEOSA-N 2 2 373.501 0.976 20 0 FCADLP CN(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000363914435 488900054 /nfs/dbraw/zinc/90/00/54/488900054.db2.gz XENOWOKUFCVEAM-INIZCTEOSA-N 2 2 373.501 0.976 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)CC1 ZINC000328774843 488937473 /nfs/dbraw/zinc/93/74/73/488937473.db2.gz BZGQRIAVRSTBSA-UHFFFAOYSA-N 2 2 371.547 0.687 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364282794 488943793 /nfs/dbraw/zinc/94/37/93/488943793.db2.gz OKLKBTOORPJEKS-QZTJIDSGSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364282794 488943795 /nfs/dbraw/zinc/94/37/95/488943795.db2.gz OKLKBTOORPJEKS-QZTJIDSGSA-N 2 2 354.454 0.981 20 0 FCADLP CN(C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364289872 488944375 /nfs/dbraw/zinc/94/43/75/488944375.db2.gz KXJGZWSDVOTZER-RHSMWYFYSA-N 2 2 363.506 0.560 20 0 FCADLP CN(C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364289872 488944377 /nfs/dbraw/zinc/94/43/77/488944377.db2.gz KXJGZWSDVOTZER-RHSMWYFYSA-N 2 2 363.506 0.560 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364374320 488952573 /nfs/dbraw/zinc/95/25/73/488952573.db2.gz JLKOAOFZRDQMIV-ZWKOTPCHSA-N 2 2 362.474 0.198 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364374320 488952575 /nfs/dbraw/zinc/95/25/75/488952575.db2.gz JLKOAOFZRDQMIV-ZWKOTPCHSA-N 2 2 362.474 0.198 20 0 FCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000328966072 488956182 /nfs/dbraw/zinc/95/61/82/488956182.db2.gz MRQLORNLAJPWHN-DLBZAZTESA-N 2 2 359.474 0.135 20 0 FCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@H]2C1 ZINC000328966072 488956185 /nfs/dbraw/zinc/95/61/85/488956185.db2.gz MRQLORNLAJPWHN-DLBZAZTESA-N 2 2 359.474 0.135 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000328996234 488958906 /nfs/dbraw/zinc/95/89/06/488958906.db2.gz GQORNOGHVWZQCB-AWEZNQCLSA-N 2 2 350.463 0.904 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000045968086 487962354 /nfs/dbraw/zinc/96/23/54/487962354.db2.gz IJEAWIRIDKTUKJ-UHFFFAOYSA-N 2 2 363.462 0.392 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000046091318 487967573 /nfs/dbraw/zinc/96/75/73/487967573.db2.gz CENQXLJXEQBHNJ-UHFFFAOYSA-N 2 2 361.486 0.839 20 0 FCADLP CC(C)CS(=O)(=O)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050798006 488114789 /nfs/dbraw/zinc/11/47/89/488114789.db2.gz IPHCLRDDZHYRSL-UHFFFAOYSA-N 2 2 359.536 0.732 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000051562750 488137299 /nfs/dbraw/zinc/13/72/99/488137299.db2.gz QXJJUDLEEFHJRZ-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000051562750 488137302 /nfs/dbraw/zinc/13/73/02/488137302.db2.gz QXJJUDLEEFHJRZ-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000051562750 488137305 /nfs/dbraw/zinc/13/73/05/488137305.db2.gz QXJJUDLEEFHJRZ-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000051562750 488137309 /nfs/dbraw/zinc/13/73/09/488137309.db2.gz QXJJUDLEEFHJRZ-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCNC(=O)C3CC3)CC2)CC1 ZINC000051759573 488143008 /nfs/dbraw/zinc/14/30/08/488143008.db2.gz QGDUODWKLKVCEF-UHFFFAOYSA-N 2 2 351.495 0.370 20 0 FCADLP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCN(C(=O)C[NH+](C)C)CC3)c2cc1C ZINC000051763600 488145069 /nfs/dbraw/zinc/14/50/69/488145069.db2.gz RIEDFAIPVYVBSK-KRWDZBQOSA-N 2 2 373.501 0.720 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364489518 488965073 /nfs/dbraw/zinc/96/50/73/488965073.db2.gz GEASVHXAMHQVSD-GOEBONIOSA-N 2 2 353.511 0.663 20 0 FCADLP CCN(C)C(=O)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364489518 488965075 /nfs/dbraw/zinc/96/50/75/488965075.db2.gz GEASVHXAMHQVSD-GOEBONIOSA-N 2 2 353.511 0.663 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000055015609 488234017 /nfs/dbraw/zinc/23/40/17/488234017.db2.gz OLSNTQLWDSPQTL-INIZCTEOSA-N 2 2 366.506 0.348 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000055015609 488234018 /nfs/dbraw/zinc/23/40/18/488234018.db2.gz OLSNTQLWDSPQTL-INIZCTEOSA-N 2 2 366.506 0.348 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568569 488331786 /nfs/dbraw/zinc/33/17/86/488331786.db2.gz LMCMMYMEAVJDIS-UHFFFAOYSA-N 2 2 367.494 0.098 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066982375 488342350 /nfs/dbraw/zinc/34/23/50/488342350.db2.gz ZQKPCCUFHURWTP-HNNXBMFYSA-N 2 2 357.462 0.918 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000071014744 488376385 /nfs/dbraw/zinc/37/63/85/488376385.db2.gz OSYOLKNCQGPDMW-ZDUSSCGKSA-N 2 2 372.429 0.351 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072851586 488383156 /nfs/dbraw/zinc/38/31/56/488383156.db2.gz NFGMKCHQJHKXID-MRXNPFEDSA-N 2 2 356.430 0.173 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072851586 488383157 /nfs/dbraw/zinc/38/31/57/488383157.db2.gz NFGMKCHQJHKXID-MRXNPFEDSA-N 2 2 356.430 0.173 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000073639008 488385513 /nfs/dbraw/zinc/38/55/13/488385513.db2.gz OBCBCIICNGOQPY-QGZVFWFLSA-N 2 2 359.474 0.326 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000073639008 488385514 /nfs/dbraw/zinc/38/55/14/488385514.db2.gz OBCBCIICNGOQPY-QGZVFWFLSA-N 2 2 359.474 0.326 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073881180 488386765 /nfs/dbraw/zinc/38/67/65/488386765.db2.gz NESCIHQHWBHNBS-HUUCEWRRSA-N 2 2 353.511 0.711 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000074110436 488387664 /nfs/dbraw/zinc/38/76/64/488387664.db2.gz RYHDHLRYQVHCFH-KZNAEPCWSA-N 2 2 369.554 0.668 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000074110436 488387665 /nfs/dbraw/zinc/38/76/65/488387665.db2.gz RYHDHLRYQVHCFH-KZNAEPCWSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182696958 488389387 /nfs/dbraw/zinc/38/93/87/488389387.db2.gz YHAQZNIHFCDXOP-CQSZACIVSA-N 2 2 354.476 0.143 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000182980602 488391125 /nfs/dbraw/zinc/39/11/25/488391125.db2.gz UWARGGLYCMJRAY-UHFFFAOYSA-N 3 2 352.523 0.585 20 0 FCADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146310 488391986 /nfs/dbraw/zinc/39/19/86/488391986.db2.gz OEPXQFORGDWRBE-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146310 488391988 /nfs/dbraw/zinc/39/19/88/488391988.db2.gz OEPXQFORGDWRBE-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000074493501 488392163 /nfs/dbraw/zinc/39/21/63/488392163.db2.gz YGVVVISJOPQZNT-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000074493501 488392164 /nfs/dbraw/zinc/39/21/64/488392164.db2.gz YGVVVISJOPQZNT-HOCLYGCPSA-N 2 2 351.495 0.465 20 0 FCADLP COc1ccc([C@@H](CNC(=O)C[NH2+]C2(C(N)=O)CC2)[NH+]2CCCCC2)cc1 ZINC000183817176 488393982 /nfs/dbraw/zinc/39/39/82/488393982.db2.gz SAVOXDYFBRACMS-QGZVFWFLSA-N 2 2 374.485 0.946 20 0 FCADLP CSCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000184605446 488397005 /nfs/dbraw/zinc/39/70/05/488397005.db2.gz DBVRDIWZXWMGBT-CQSZACIVSA-N 2 2 362.503 0.887 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000554335321 491195529 /nfs/dbraw/zinc/19/55/29/491195529.db2.gz TWFWZFLTLUBTCZ-JKSUJKDBSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000554335321 491195534 /nfs/dbraw/zinc/19/55/34/491195534.db2.gz TWFWZFLTLUBTCZ-JKSUJKDBSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185863959 488402823 /nfs/dbraw/zinc/40/28/23/488402823.db2.gz RLKXKQDHXSJZPI-KRWDZBQOSA-N 3 2 361.538 0.344 20 0 FCADLP CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000076997392 488408499 /nfs/dbraw/zinc/40/84/99/488408499.db2.gz ZMRSRWLNBSBUPG-INIZCTEOSA-N 2 2 373.501 0.967 20 0 FCADLP CC(=O)NCC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000076997395 488408631 /nfs/dbraw/zinc/40/86/31/488408631.db2.gz ZMRSRWLNBSBUPG-MRXNPFEDSA-N 2 2 373.501 0.967 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000188766019 488413336 /nfs/dbraw/zinc/41/33/36/488413336.db2.gz YGHJQGRGOLCIRT-AWEZNQCLSA-N 2 2 351.499 0.831 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077745930 488417031 /nfs/dbraw/zinc/41/70/31/488417031.db2.gz KQEQSSPPVCNZBP-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC000077817453 488418076 /nfs/dbraw/zinc/41/80/76/488418076.db2.gz QSMXGANOVIOHEC-QGZVFWFLSA-N 2 2 373.501 0.440 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000077817453 488418078 /nfs/dbraw/zinc/41/80/78/488418078.db2.gz QSMXGANOVIOHEC-QGZVFWFLSA-N 2 2 373.501 0.440 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1(CO)CCOCC1 ZINC000190991931 488418517 /nfs/dbraw/zinc/41/85/17/488418517.db2.gz CAUSSPCJACRFBR-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1(CO)CCOCC1 ZINC000190991931 488418519 /nfs/dbraw/zinc/41/85/19/488418519.db2.gz CAUSSPCJACRFBR-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000191563544 488420354 /nfs/dbraw/zinc/42/03/54/488420354.db2.gz YPHDAZRFMQVZNT-QYZOEREBSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCOC[C@@H]2C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000191563544 488420357 /nfs/dbraw/zinc/42/03/57/488420357.db2.gz YPHDAZRFMQVZNT-QYZOEREBSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCOC[C@@H]2C)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000191563544 488420359 /nfs/dbraw/zinc/42/03/59/488420359.db2.gz YPHDAZRFMQVZNT-QYZOEREBSA-N 2 2 354.539 0.434 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000078489133 488422628 /nfs/dbraw/zinc/42/26/28/488422628.db2.gz BCWXAVIYVFNNNY-SFHVURJKSA-N 2 2 361.486 0.975 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000078505221 488422885 /nfs/dbraw/zinc/42/28/85/488422885.db2.gz WFXRNWPKFHOSAH-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000078505221 488422886 /nfs/dbraw/zinc/42/28/86/488422886.db2.gz WFXRNWPKFHOSAH-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000079201154 488428475 /nfs/dbraw/zinc/42/84/75/488428475.db2.gz NTQYGWYFYPOXIF-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000079201154 488428478 /nfs/dbraw/zinc/42/84/78/488428478.db2.gz NTQYGWYFYPOXIF-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000193619014 488428811 /nfs/dbraw/zinc/42/88/11/488428811.db2.gz CFTKKWWKQOJWIS-RDJZCZTQSA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccs1 ZINC000080565912 488436136 /nfs/dbraw/zinc/43/61/36/488436136.db2.gz VDIKBXPRJOSQJC-YOEHRIQHSA-N 2 2 370.519 0.733 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000081314887 488440847 /nfs/dbraw/zinc/44/08/47/488440847.db2.gz HRSONNAVBISPDD-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000081314887 488440848 /nfs/dbraw/zinc/44/08/48/488440848.db2.gz HRSONNAVBISPDD-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000081314887 488440849 /nfs/dbraw/zinc/44/08/49/488440849.db2.gz HRSONNAVBISPDD-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000081314887 488440850 /nfs/dbraw/zinc/44/08/50/488440850.db2.gz HRSONNAVBISPDD-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634484 488443512 /nfs/dbraw/zinc/44/35/12/488443512.db2.gz LEGPLZLTBURUMO-OIISXLGYSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634484 488443514 /nfs/dbraw/zinc/44/35/14/488443514.db2.gz LEGPLZLTBURUMO-OIISXLGYSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634484 488443515 /nfs/dbraw/zinc/44/35/15/488443515.db2.gz LEGPLZLTBURUMO-OIISXLGYSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634484 488443517 /nfs/dbraw/zinc/44/35/17/488443517.db2.gz LEGPLZLTBURUMO-OIISXLGYSA-N 2 2 350.507 0.763 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000083700870 488448192 /nfs/dbraw/zinc/44/81/92/488448192.db2.gz DBQZQEBHNZTVTP-GOSISDBHSA-N 2 2 370.538 0.976 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000083700870 488448193 /nfs/dbraw/zinc/44/81/93/488448193.db2.gz DBQZQEBHNZTVTP-GOSISDBHSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000083715079 488448577 /nfs/dbraw/zinc/44/85/77/488448577.db2.gz XPPPUMUZCXBYNB-IRXDYDNUSA-N 2 2 356.511 0.441 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000083716581 488448684 /nfs/dbraw/zinc/44/86/84/488448684.db2.gz JGZBLFNGSIMOKE-KRWDZBQOSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085364030 488451717 /nfs/dbraw/zinc/45/17/17/488451717.db2.gz QWWWEXVDBYLQDE-MRXNPFEDSA-N 2 2 367.538 0.912 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268822597 488451973 /nfs/dbraw/zinc/45/19/73/488451973.db2.gz PRRMCLNXXAEJJO-INIZCTEOSA-N 2 2 361.490 0.967 20 0 FCADLP C[NH+]1CCC(CNC(=O)C[NH2+]C[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000237158946 488454622 /nfs/dbraw/zinc/45/46/22/488454622.db2.gz CTSCUWSWMRJHKY-KRWDZBQOSA-N 3 2 352.523 0.822 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CN2CC[NH2+]CC2=O)C[C@@H](C)O1 ZINC000237413832 488455381 /nfs/dbraw/zinc/45/53/81/488455381.db2.gz QEBSHQHTSQOINZ-HUUCEWRRSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000237475403 488455637 /nfs/dbraw/zinc/45/56/37/488455637.db2.gz YOLKPACZRVQZNZ-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000237475403 488455638 /nfs/dbraw/zinc/45/56/38/488455638.db2.gz YOLKPACZRVQZNZ-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268944145 488458245 /nfs/dbraw/zinc/45/82/45/488458245.db2.gz UALFXYAHQGKJLE-CZUORRHYSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268944145 488458248 /nfs/dbraw/zinc/45/82/48/488458248.db2.gz UALFXYAHQGKJLE-CZUORRHYSA-N 2 2 368.503 0.585 20 0 FCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926781 488458555 /nfs/dbraw/zinc/45/85/55/488458555.db2.gz DRJGMPSEOFMZGX-HNNXBMFYSA-N 2 2 363.462 0.486 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000238105171 488458653 /nfs/dbraw/zinc/45/86/53/488458653.db2.gz PJSGWOJUIJRGQS-UHFFFAOYSA-N 2 2 350.488 0.508 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000090027035 488459939 /nfs/dbraw/zinc/45/99/39/488459939.db2.gz AEUVRJDOZIPAQY-ZBFHGGJFSA-N 2 2 372.535 0.243 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C[N@H+]1C1CC1 ZINC000090027035 488459940 /nfs/dbraw/zinc/45/99/40/488459940.db2.gz AEUVRJDOZIPAQY-ZBFHGGJFSA-N 2 2 372.535 0.243 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000245944824 488467236 /nfs/dbraw/zinc/46/72/36/488467236.db2.gz WGZRHUCCJHAYBB-GUDVDZBRSA-N 2 2 364.534 0.868 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000245944824 488467239 /nfs/dbraw/zinc/46/72/39/488467239.db2.gz WGZRHUCCJHAYBB-GUDVDZBRSA-N 2 2 364.534 0.868 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091633588 488467322 /nfs/dbraw/zinc/46/73/22/488467322.db2.gz YJSKBDRQSCZPFK-LBPRGKRZSA-N 2 2 350.385 0.469 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091633588 488467324 /nfs/dbraw/zinc/46/73/24/488467324.db2.gz YJSKBDRQSCZPFK-LBPRGKRZSA-N 2 2 350.385 0.469 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000245966647 488467889 /nfs/dbraw/zinc/46/78/89/488467889.db2.gz ZCWVWOSMIRMYBP-DKKFBQAASA-N 2 2 363.502 0.857 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000246074578 488469396 /nfs/dbraw/zinc/46/93/96/488469396.db2.gz CXLAPNMEDSNIDM-MHORFTMASA-N 2 2 370.538 0.687 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000246074578 488469398 /nfs/dbraw/zinc/46/93/98/488469398.db2.gz CXLAPNMEDSNIDM-MHORFTMASA-N 2 2 370.538 0.687 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246483984 488472969 /nfs/dbraw/zinc/47/29/69/488472969.db2.gz QTMPKLLBMDLCMS-DLBZAZTESA-N 2 2 356.511 0.299 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246483984 488472971 /nfs/dbraw/zinc/47/29/71/488472971.db2.gz QTMPKLLBMDLCMS-DLBZAZTESA-N 2 2 356.511 0.299 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000246473631 488473075 /nfs/dbraw/zinc/47/30/75/488473075.db2.gz QXJZZQXFSWASIW-IKGGRYGDSA-N 2 2 356.511 0.752 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](N4CCNC4=O)C3)cn2)CC1 ZINC000092188888 488474192 /nfs/dbraw/zinc/47/41/92/488474192.db2.gz YPWKJQNOROBNFR-MRXNPFEDSA-N 2 2 359.478 0.218 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](N4CCNC4=O)C3)cn2)CC1 ZINC000092188888 488474194 /nfs/dbraw/zinc/47/41/94/488474194.db2.gz YPWKJQNOROBNFR-MRXNPFEDSA-N 2 2 359.478 0.218 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]([NH3+])C(C)C)c2)CC1 ZINC000269230924 488480846 /nfs/dbraw/zinc/48/08/46/488480846.db2.gz ISMIDUFQEHLCAL-MRXNPFEDSA-N 2 2 368.503 0.935 20 0 FCADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccn3cc[nH+]c3c2)cn1 ZINC000569892009 491201496 /nfs/dbraw/zinc/20/14/96/491201496.db2.gz HKCFSOBGGPNBAY-UHFFFAOYSA-N 2 2 370.417 0.853 20 0 FCADLP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000269250867 488482262 /nfs/dbraw/zinc/48/22/62/488482262.db2.gz GUNPXSPWYVIANE-RBUKOAKNSA-N 2 2 361.486 0.815 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247132894 488482581 /nfs/dbraw/zinc/48/25/81/488482581.db2.gz QQKFMQQFPRHUBZ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247132894 488482582 /nfs/dbraw/zinc/48/25/82/488482582.db2.gz QQKFMQQFPRHUBZ-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247592247 488488262 /nfs/dbraw/zinc/48/82/62/488488262.db2.gz JSPQAQXLSNHOOT-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000247592247 488488263 /nfs/dbraw/zinc/48/82/63/488488263.db2.gz JSPQAQXLSNHOOT-IRXDYDNUSA-N 2 2 360.506 0.930 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000097025778 488492001 /nfs/dbraw/zinc/49/20/01/488492001.db2.gz OHGPNCPPGIZXSP-HOTGVXAUSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000097025776 488492228 /nfs/dbraw/zinc/49/22/28/488492228.db2.gz OHGPNCPPGIZXSP-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000097025776 488492231 /nfs/dbraw/zinc/49/22/31/488492231.db2.gz OHGPNCPPGIZXSP-IYBDPMFKSA-N 2 2 356.511 0.896 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000098101513 488493824 /nfs/dbraw/zinc/49/38/24/488493824.db2.gz KDTKHDOZGYHQLQ-UHFFFAOYSA-N 2 2 371.441 0.662 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248586756 488499071 /nfs/dbraw/zinc/49/90/71/488499071.db2.gz GGCZRTYPKZFFEU-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248586756 488499074 /nfs/dbraw/zinc/49/90/74/488499074.db2.gz GGCZRTYPKZFFEU-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248586756 488499076 /nfs/dbraw/zinc/49/90/76/488499076.db2.gz GGCZRTYPKZFFEU-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248586756 488499078 /nfs/dbraw/zinc/49/90/78/488499078.db2.gz GGCZRTYPKZFFEU-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248668635 488500272 /nfs/dbraw/zinc/50/02/72/488500272.db2.gz AISLZHUUTDVMMV-KZNAEPCWSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248668635 488500275 /nfs/dbraw/zinc/50/02/75/488500275.db2.gz AISLZHUUTDVMMV-KZNAEPCWSA-N 2 2 369.554 0.811 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249096848 488505985 /nfs/dbraw/zinc/50/59/85/488505985.db2.gz IPSHJWZAPILTBE-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249096848 488505987 /nfs/dbraw/zinc/50/59/87/488505987.db2.gz IPSHJWZAPILTBE-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000249125913 488506651 /nfs/dbraw/zinc/50/66/51/488506651.db2.gz QXSUGCIPVYJBLP-JYJNAYRXSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000249125913 488506653 /nfs/dbraw/zinc/50/66/53/488506653.db2.gz QXSUGCIPVYJBLP-JYJNAYRXSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000105064789 488506903 /nfs/dbraw/zinc/50/69/03/488506903.db2.gz ZGHYLYPNDYRKSC-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105111918 488507107 /nfs/dbraw/zinc/50/71/07/488507107.db2.gz DZBKNGLNUGOUCR-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105111918 488507110 /nfs/dbraw/zinc/50/71/10/488507110.db2.gz DZBKNGLNUGOUCR-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP CN(C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)c1c[nH+]cn1C ZINC000554461273 491203658 /nfs/dbraw/zinc/20/36/58/491203658.db2.gz YGPUYKUWQZUIGO-KRWDZBQOSA-N 2 2 364.494 0.131 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000249519205 488511083 /nfs/dbraw/zinc/51/10/83/488511083.db2.gz JWNRQBSDJOANLO-QAPCUYQASA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000249519205 488511085 /nfs/dbraw/zinc/51/10/85/488511085.db2.gz JWNRQBSDJOANLO-QAPCUYQASA-N 2 2 368.547 0.978 20 0 FCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CCN2CCOC[C@@H]2C)CC1(C)C ZINC000249636984 488513333 /nfs/dbraw/zinc/51/33/33/488513333.db2.gz WVBBVSNMYJMQNY-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CCN2CCOC[C@@H]2C)CC1(C)C ZINC000249636984 488513335 /nfs/dbraw/zinc/51/33/35/488513335.db2.gz WVBBVSNMYJMQNY-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CCN2CCOC[C@@H]2C)CC1(C)C ZINC000249636984 488513337 /nfs/dbraw/zinc/51/33/37/488513337.db2.gz WVBBVSNMYJMQNY-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CCN2CCOC[C@@H]2C)CC1(C)C ZINC000249636984 488513339 /nfs/dbraw/zinc/51/33/39/488513339.db2.gz WVBBVSNMYJMQNY-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435809 488516942 /nfs/dbraw/zinc/51/69/42/488516942.db2.gz BQRVYJUABDFAJA-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435809 488516944 /nfs/dbraw/zinc/51/69/44/488516944.db2.gz BQRVYJUABDFAJA-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435809 488516946 /nfs/dbraw/zinc/51/69/46/488516946.db2.gz BQRVYJUABDFAJA-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435809 488516947 /nfs/dbraw/zinc/51/69/47/488516947.db2.gz BQRVYJUABDFAJA-JENIJYKNSA-N 2 2 361.486 0.801 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000108559806 488519621 /nfs/dbraw/zinc/51/96/21/488519621.db2.gz WTHALAFMUFXAAJ-INIZCTEOSA-N 2 2 361.494 0.240 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000108559806 488519622 /nfs/dbraw/zinc/51/96/22/488519622.db2.gz WTHALAFMUFXAAJ-INIZCTEOSA-N 2 2 361.494 0.240 20 0 FCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CN3CC[NH+](C)CC3)c2)CCO1 ZINC000109957363 488524783 /nfs/dbraw/zinc/52/47/83/488524783.db2.gz IVPZJJLPJQRMMC-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CN3CC[NH+](C)CC3)c2)CCO1 ZINC000109957363 488524784 /nfs/dbraw/zinc/52/47/84/488524784.db2.gz IVPZJJLPJQRMMC-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP COCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000261368736 488526490 /nfs/dbraw/zinc/52/64/90/488526490.db2.gz NWXWJRRAJPVPHD-UHFFFAOYSA-N 2 2 360.502 0.595 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261615193 488527487 /nfs/dbraw/zinc/52/74/87/488527487.db2.gz CRDGTMRTRIWRNR-DYVFJYSZSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261615193 488527488 /nfs/dbraw/zinc/52/74/88/488527488.db2.gz CRDGTMRTRIWRNR-DYVFJYSZSA-N 2 2 368.503 0.935 20 0 FCADLP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000261636414 488528340 /nfs/dbraw/zinc/52/83/40/488528340.db2.gz HXDSWIWVVPNUMX-ZDUSSCGKSA-N 2 2 353.492 0.803 20 0 FCADLP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000261636414 488528342 /nfs/dbraw/zinc/52/83/42/488528342.db2.gz HXDSWIWVVPNUMX-ZDUSSCGKSA-N 2 2 353.492 0.803 20 0 FCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccnc(-n2cc[nH+]c2)c1 ZINC000261683459 488530641 /nfs/dbraw/zinc/53/06/41/488530641.db2.gz CQSFJXOWGYZHRG-CYBMUJFWSA-N 2 2 368.363 0.833 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261784921 488535649 /nfs/dbraw/zinc/53/56/49/488535649.db2.gz HRUUMJFKOLBHBM-XYPHTWIQSA-N 2 2 362.449 0.932 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261784921 488535650 /nfs/dbraw/zinc/53/56/50/488535650.db2.gz HRUUMJFKOLBHBM-XYPHTWIQSA-N 2 2 362.449 0.932 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1C ZINC000261815083 488537074 /nfs/dbraw/zinc/53/70/74/488537074.db2.gz XCYOSWWWZTXUHB-MRXNPFEDSA-N 2 2 354.476 0.512 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1C ZINC000261815083 488537077 /nfs/dbraw/zinc/53/70/77/488537077.db2.gz XCYOSWWWZTXUHB-MRXNPFEDSA-N 2 2 354.476 0.512 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261851018 488538692 /nfs/dbraw/zinc/53/86/92/488538692.db2.gz VKVLZQUSVDXAIB-WBVHZDCISA-N 2 2 363.487 0.373 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261851018 488538694 /nfs/dbraw/zinc/53/86/94/488538694.db2.gz VKVLZQUSVDXAIB-WBVHZDCISA-N 2 2 363.487 0.373 20 0 FCADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000261876987 488539495 /nfs/dbraw/zinc/53/94/95/488539495.db2.gz SWYMVKQSRRPDPV-HNNXBMFYSA-N 2 2 356.264 0.760 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261891101 488540041 /nfs/dbraw/zinc/54/00/41/488540041.db2.gz QPRNYLXACQCLOQ-DOTOQJQBSA-N 2 2 369.473 0.743 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261891101 488540043 /nfs/dbraw/zinc/54/00/43/488540043.db2.gz QPRNYLXACQCLOQ-DOTOQJQBSA-N 2 2 369.473 0.743 20 0 FCADLP CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261927023 488542214 /nfs/dbraw/zinc/54/22/14/488542214.db2.gz VUYZXMZWTPWFPV-MCIONIFRSA-N 2 2 351.451 0.857 20 0 FCADLP CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261927023 488542217 /nfs/dbraw/zinc/54/22/17/488542217.db2.gz VUYZXMZWTPWFPV-MCIONIFRSA-N 2 2 351.451 0.857 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000261998683 488545022 /nfs/dbraw/zinc/54/50/22/488545022.db2.gz DJHFPDKHBNYHEJ-HOTGVXAUSA-N 2 2 361.421 0.864 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000116400000 488547537 /nfs/dbraw/zinc/54/75/37/488547537.db2.gz YASKXFJIWCQUBC-YSTOQKLRSA-N 2 2 368.566 0.558 20 0 FCADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000116400000 488547538 /nfs/dbraw/zinc/54/75/38/488547538.db2.gz YASKXFJIWCQUBC-YSTOQKLRSA-N 2 2 368.566 0.558 20 0 FCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000118001527 488552770 /nfs/dbraw/zinc/55/27/70/488552770.db2.gz WFFKBZDBIOYWDM-IAGOWNOFSA-N 2 2 368.522 0.498 20 0 FCADLP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000262279362 488561060 /nfs/dbraw/zinc/56/10/60/488561060.db2.gz LLLHGGBVLJPOTC-OAHLLOKOSA-N 2 2 365.865 0.996 20 0 FCADLP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000262279362 488561061 /nfs/dbraw/zinc/56/10/61/488561061.db2.gz LLLHGGBVLJPOTC-OAHLLOKOSA-N 2 2 365.865 0.996 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cnn(C)c1 ZINC000262308072 488562817 /nfs/dbraw/zinc/56/28/17/488562817.db2.gz CMJZYLHHMIWJSA-GOSISDBHSA-N 2 2 357.458 0.829 20 0 FCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000262373431 488567065 /nfs/dbraw/zinc/56/70/65/488567065.db2.gz LZYJFLOUIQKJNK-UHFFFAOYSA-N 2 2 351.447 0.966 20 0 FCADLP COCC1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC[NH2+]CC1 ZINC000262418260 488569265 /nfs/dbraw/zinc/56/92/65/488569265.db2.gz UPHJKLQRMOXPFN-GOSISDBHSA-N 2 2 361.486 0.880 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CSC[NH2+]3)c2)CC1 ZINC000262702110 488587129 /nfs/dbraw/zinc/58/71/29/488587129.db2.gz ZIBUVEIYOYBTBC-CQSZACIVSA-N 2 2 370.500 0.224 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC[NH+](C)C)c2)CC1 ZINC000124117421 488590082 /nfs/dbraw/zinc/59/00/82/488590082.db2.gz IIDZMJRIUUZHEG-UHFFFAOYSA-N 2 2 361.490 0.440 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)cn1 ZINC000262761796 488591079 /nfs/dbraw/zinc/59/10/79/488591079.db2.gz LNXAGODPMLOTIN-QGZVFWFLSA-N 2 2 371.489 0.889 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)cn1 ZINC000262761796 488591082 /nfs/dbraw/zinc/59/10/82/488591082.db2.gz LNXAGODPMLOTIN-QGZVFWFLSA-N 2 2 371.489 0.889 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000262948645 488600333 /nfs/dbraw/zinc/60/03/33/488600333.db2.gz VHDFZGASHCNFOG-KRWDZBQOSA-N 2 2 351.447 0.378 20 0 FCADLP C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)N1CC[NH+](C)CC1 ZINC000125711503 488603285 /nfs/dbraw/zinc/60/32/85/488603285.db2.gz UBUCZHLZPNLQEB-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125966373 488605269 /nfs/dbraw/zinc/60/52/69/488605269.db2.gz VAPAIPWSZMPWAS-KRWDZBQOSA-N 2 2 369.554 0.622 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000125966373 488605272 /nfs/dbraw/zinc/60/52/72/488605272.db2.gz VAPAIPWSZMPWAS-KRWDZBQOSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000263227857 488607030 /nfs/dbraw/zinc/60/70/30/488607030.db2.gz GZFJARXIYYWAFW-SFHVURJKSA-N 2 2 361.490 0.472 20 0 FCADLP NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000272969066 488621429 /nfs/dbraw/zinc/62/14/29/488621429.db2.gz HAHJAZFBBMUUSD-CABCVRRESA-N 2 2 356.392 0.691 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000129691659 488632853 /nfs/dbraw/zinc/63/28/53/488632853.db2.gz WTADZOMBDGZOOP-NVXWUHKLSA-N 2 2 356.536 0.787 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129813086 488634103 /nfs/dbraw/zinc/63/41/03/488634103.db2.gz UDZZWJZOFJFTSS-AAEUAGOBSA-N 2 2 372.429 0.416 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129813086 488634104 /nfs/dbraw/zinc/63/41/04/488634104.db2.gz UDZZWJZOFJFTSS-AAEUAGOBSA-N 2 2 372.429 0.416 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000130417919 488637615 /nfs/dbraw/zinc/63/76/15/488637615.db2.gz IMSCSESMQMFCPZ-FUHWJXTLSA-N 2 2 360.506 0.627 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000130634184 488639165 /nfs/dbraw/zinc/63/91/65/488639165.db2.gz RWOVUTFZBMPACL-CVEARBPZSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130634184 488639167 /nfs/dbraw/zinc/63/91/67/488639167.db2.gz RWOVUTFZBMPACL-CVEARBPZSA-N 2 2 365.522 0.807 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000130643768 488639337 /nfs/dbraw/zinc/63/93/37/488639337.db2.gz XQPBSCVPNRZWIC-ZBFHGGJFSA-N 2 2 370.519 0.938 20 0 FCADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000130643768 488639338 /nfs/dbraw/zinc/63/93/38/488639338.db2.gz XQPBSCVPNRZWIC-ZBFHGGJFSA-N 2 2 370.519 0.938 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550142 488660334 /nfs/dbraw/zinc/66/03/34/488660334.db2.gz NZWPMWSRIAVFPC-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550142 488660336 /nfs/dbraw/zinc/66/03/36/488660336.db2.gz NZWPMWSRIAVFPC-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550299 488660671 /nfs/dbraw/zinc/66/06/71/488660671.db2.gz NZWPMWSRIAVFPC-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000133550299 488660672 /nfs/dbraw/zinc/66/06/72/488660672.db2.gz NZWPMWSRIAVFPC-MJGOQNOKSA-N 2 2 360.502 0.640 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869949 488669436 /nfs/dbraw/zinc/66/94/36/488669436.db2.gz LLIRQBYZYPFHMK-WBVHZDCISA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869949 488669439 /nfs/dbraw/zinc/66/94/39/488669439.db2.gz LLIRQBYZYPFHMK-WBVHZDCISA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869949 488669442 /nfs/dbraw/zinc/66/94/42/488669442.db2.gz LLIRQBYZYPFHMK-WBVHZDCISA-N 2 2 359.536 0.891 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869949 488669445 /nfs/dbraw/zinc/66/94/45/488669445.db2.gz LLIRQBYZYPFHMK-WBVHZDCISA-N 2 2 359.536 0.891 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000570107497 491217152 /nfs/dbraw/zinc/21/71/52/491217152.db2.gz MIDMFNHYJOZTJN-ROUUACIJSA-N 2 2 356.470 0.730 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000570107497 491217154 /nfs/dbraw/zinc/21/71/54/491217154.db2.gz MIDMFNHYJOZTJN-ROUUACIJSA-N 2 2 356.470 0.730 20 0 FCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698447 488699634 /nfs/dbraw/zinc/69/96/34/488699634.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698447 488699635 /nfs/dbraw/zinc/69/96/35/488699635.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698447 488699636 /nfs/dbraw/zinc/69/96/36/488699636.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000264698447 488699638 /nfs/dbraw/zinc/69/96/38/488699638.db2.gz GLYSDPXMCTWTIL-APWZRJJASA-N 2 2 359.518 0.978 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000150761260 488699804 /nfs/dbraw/zinc/69/98/04/488699804.db2.gz QTMPKLLBMDLCMS-SJORKVTESA-N 2 2 356.511 0.299 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000150761260 488699806 /nfs/dbraw/zinc/69/98/06/488699806.db2.gz QTMPKLLBMDLCMS-SJORKVTESA-N 2 2 356.511 0.299 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796236 488712730 /nfs/dbraw/zinc/71/27/30/488712730.db2.gz VLMRUXZKICXYDH-RTBURBONSA-N 2 2 359.518 0.337 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264796236 488712733 /nfs/dbraw/zinc/71/27/33/488712733.db2.gz VLMRUXZKICXYDH-RTBURBONSA-N 2 2 359.518 0.337 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000152508478 488718733 /nfs/dbraw/zinc/71/87/33/488718733.db2.gz PLWJASCPORSMLO-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000152508478 488718734 /nfs/dbraw/zinc/71/87/34/488718734.db2.gz PLWJASCPORSMLO-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP C[NH+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000152508478 488718735 /nfs/dbraw/zinc/71/87/35/488718735.db2.gz PLWJASCPORSMLO-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP C[NH+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152508478 488718736 /nfs/dbraw/zinc/71/87/36/488718736.db2.gz PLWJASCPORSMLO-INIZCTEOSA-N 2 2 362.474 0.838 20 0 FCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102250 491215436 /nfs/dbraw/zinc/21/54/36/491215436.db2.gz ZRIFHMIODRTJRF-IUODEOHRSA-N 2 2 366.487 0.112 20 0 FCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc2N1S(C)(=O)=O ZINC000563102250 491215439 /nfs/dbraw/zinc/21/54/39/491215439.db2.gz ZRIFHMIODRTJRF-IUODEOHRSA-N 2 2 366.487 0.112 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@]2(CCOC2)C1)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153451759 488731763 /nfs/dbraw/zinc/73/17/63/488731763.db2.gz DQSWDFGRPQKLMG-ROUUACIJSA-N 2 2 372.531 0.626 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@]2(CCOC2)C1)CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153451759 488731765 /nfs/dbraw/zinc/73/17/65/488731765.db2.gz DQSWDFGRPQKLMG-ROUUACIJSA-N 2 2 372.531 0.626 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000153647346 488733442 /nfs/dbraw/zinc/73/34/42/488733442.db2.gz IILKGTHUJSRGJB-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810705 488735121 /nfs/dbraw/zinc/73/51/21/488735121.db2.gz JVNMIGDDIASRIY-UKRRQHHQSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153810705 488735122 /nfs/dbraw/zinc/73/51/22/488735122.db2.gz JVNMIGDDIASRIY-UKRRQHHQSA-N 2 2 354.520 0.235 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266870365 488739366 /nfs/dbraw/zinc/73/93/66/488739366.db2.gz XDZBPZCKHGLACN-SFHVURJKSA-N 2 2 374.485 0.588 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266870365 488739368 /nfs/dbraw/zinc/73/93/68/488739368.db2.gz XDZBPZCKHGLACN-SFHVURJKSA-N 2 2 374.485 0.588 20 0 FCADLP COCC(C)(C)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000154863491 488748254 /nfs/dbraw/zinc/74/82/54/488748254.db2.gz DTZPXPKFRIPWFZ-UHFFFAOYSA-N 2 2 361.450 0.027 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)ccn2)CC1 ZINC000155808631 488759296 /nfs/dbraw/zinc/75/92/96/488759296.db2.gz SKNAODRVXICYMG-DLBZAZTESA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)ccn2)CC1 ZINC000155808631 488759297 /nfs/dbraw/zinc/75/92/97/488759297.db2.gz SKNAODRVXICYMG-DLBZAZTESA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000156241945 488763660 /nfs/dbraw/zinc/76/36/60/488763660.db2.gz QZYOVDYLUHHZKB-UHFFFAOYSA-N 2 2 373.461 0.998 20 0 FCADLP Cn1cc([C@H](CO)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000275199676 488771785 /nfs/dbraw/zinc/77/17/85/488771785.db2.gz QDHVZOXWBBHQOX-INIZCTEOSA-N 2 2 358.446 0.177 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cc(Br)cn2)CC1 ZINC000267268381 488773554 /nfs/dbraw/zinc/77/35/54/488773554.db2.gz PLPWKBDQDCXFOQ-UHFFFAOYSA-N 2 2 358.284 0.788 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158053232 488775290 /nfs/dbraw/zinc/77/52/90/488775290.db2.gz ONVVUCVMPKPWED-GOSISDBHSA-N 2 2 373.497 0.970 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](CO)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000158053232 488775291 /nfs/dbraw/zinc/77/52/91/488775291.db2.gz ONVVUCVMPKPWED-GOSISDBHSA-N 2 2 373.497 0.970 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267529353 488794318 /nfs/dbraw/zinc/79/43/18/488794318.db2.gz UZMMAPCBRLAWBH-CYBMUJFWSA-N 2 2 350.467 0.419 20 0 FCADLP Cc1ccc(NCCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[nH+]c1 ZINC000267600310 488802747 /nfs/dbraw/zinc/80/27/47/488802747.db2.gz LVHBOJHZMCVRCT-MRXNPFEDSA-N 2 2 365.478 0.527 20 0 FCADLP COc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c(C)c12 ZINC000162418299 488802924 /nfs/dbraw/zinc/80/29/24/488802924.db2.gz KJKUFCRDVRFZNL-AWEZNQCLSA-N 2 2 374.489 0.628 20 0 FCADLP COc1nn(C)c2nc(C)c(CCC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c(C)c12 ZINC000162418299 488802926 /nfs/dbraw/zinc/80/29/26/488802926.db2.gz KJKUFCRDVRFZNL-AWEZNQCLSA-N 2 2 374.489 0.628 20 0 FCADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000570141840 491219033 /nfs/dbraw/zinc/21/90/33/491219033.db2.gz UGUXQOOYBHYFSS-UHFFFAOYSA-N 2 2 352.504 0.802 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000163422108 488807575 /nfs/dbraw/zinc/80/75/75/488807575.db2.gz UFBJINHTZQJNBS-KRWDZBQOSA-N 3 2 369.554 0.622 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000163422108 488807578 /nfs/dbraw/zinc/80/75/78/488807578.db2.gz UFBJINHTZQJNBS-KRWDZBQOSA-N 3 2 369.554 0.622 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](C)C[NH2+]C)c2)CC1 ZINC000163583386 488808731 /nfs/dbraw/zinc/80/87/31/488808731.db2.gz AETOOEAXPHUGKR-AWEZNQCLSA-N 2 2 368.503 0.807 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000171623622 488824621 /nfs/dbraw/zinc/82/46/21/488824621.db2.gz VMHRSXWXCROZOR-HOTGVXAUSA-N 2 2 360.506 0.956 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CC1 ZINC000171623622 488824622 /nfs/dbraw/zinc/82/46/22/488824622.db2.gz VMHRSXWXCROZOR-HOTGVXAUSA-N 2 2 360.506 0.956 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000171702432 488825749 /nfs/dbraw/zinc/82/57/49/488825749.db2.gz ZFJKRDRSLWHAAV-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000171702432 488825752 /nfs/dbraw/zinc/82/57/52/488825752.db2.gz ZFJKRDRSLWHAAV-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000171702432 488825754 /nfs/dbraw/zinc/82/57/54/488825754.db2.gz ZFJKRDRSLWHAAV-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000171702432 488825756 /nfs/dbraw/zinc/82/57/56/488825756.db2.gz ZFJKRDRSLWHAAV-IRXDYDNUSA-N 2 2 355.527 0.278 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000172303171 488832219 /nfs/dbraw/zinc/83/22/19/488832219.db2.gz OBBKZGKPYYONMD-INIZCTEOSA-N 2 2 367.515 0.866 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000172303171 488832220 /nfs/dbraw/zinc/83/22/20/488832220.db2.gz OBBKZGKPYYONMD-INIZCTEOSA-N 2 2 367.515 0.866 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000172522368 488834705 /nfs/dbraw/zinc/83/47/05/488834705.db2.gz FCCHHMIAURXAFF-IAGOWNOFSA-N 2 2 356.511 0.611 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000172522368 488834706 /nfs/dbraw/zinc/83/47/06/488834706.db2.gz FCCHHMIAURXAFF-IAGOWNOFSA-N 2 2 356.511 0.611 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037610 488835727 /nfs/dbraw/zinc/83/57/27/488835727.db2.gz NTQFBYQSVDQYEY-MAUKXSAKSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000268037610 488835729 /nfs/dbraw/zinc/83/57/29/488835729.db2.gz NTQFBYQSVDQYEY-MAUKXSAKSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037610 488835732 /nfs/dbraw/zinc/83/57/32/488835732.db2.gz NTQFBYQSVDQYEY-MAUKXSAKSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000268037610 488835734 /nfs/dbraw/zinc/83/57/34/488835734.db2.gz NTQFBYQSVDQYEY-MAUKXSAKSA-N 2 2 363.458 0.725 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CN1CC[NH+]1CCOCC1 ZINC000172697194 488836611 /nfs/dbraw/zinc/83/66/11/488836611.db2.gz VYTLCRDADRPGPL-KRWDZBQOSA-N 2 2 370.457 0.494 20 0 FCADLP COc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000172697288 488836739 /nfs/dbraw/zinc/83/67/39/488836739.db2.gz SMWJROURGYJROI-HNNXBMFYSA-N 2 2 351.422 0.857 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000173290200 488842127 /nfs/dbraw/zinc/84/21/27/488842127.db2.gz DOJIHVWPGJUSFU-DLBZAZTESA-N 2 2 361.490 0.117 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000173290200 488842128 /nfs/dbraw/zinc/84/21/28/488842128.db2.gz DOJIHVWPGJUSFU-DLBZAZTESA-N 2 2 361.490 0.117 20 0 FCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000173639841 488844163 /nfs/dbraw/zinc/84/41/63/488844163.db2.gz MSNSGWLFWHUBCO-JTQLQIEISA-N 2 2 354.373 0.463 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000173708706 488844825 /nfs/dbraw/zinc/84/48/25/488844825.db2.gz WCNFNMBIBROBOQ-IAGOWNOFSA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000173708706 488844826 /nfs/dbraw/zinc/84/48/26/488844826.db2.gz WCNFNMBIBROBOQ-IAGOWNOFSA-N 2 2 360.506 0.627 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174548842 488849829 /nfs/dbraw/zinc/84/98/29/488849829.db2.gz ZQPRXEBXMQAORJ-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174548842 488849830 /nfs/dbraw/zinc/84/98/30/488849830.db2.gz ZQPRXEBXMQAORJ-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174783719 488851207 /nfs/dbraw/zinc/85/12/07/488851207.db2.gz DTHYIQHRERJJIJ-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000174806289 488851295 /nfs/dbraw/zinc/85/12/95/488851295.db2.gz ZYEVPGHCAFPQMU-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000174806289 488851296 /nfs/dbraw/zinc/85/12/96/488851296.db2.gz ZYEVPGHCAFPQMU-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000175179804 488853410 /nfs/dbraw/zinc/85/34/10/488853410.db2.gz UGEQRVVIODPWAO-IRXDYDNUSA-N 2 2 355.527 0.137 20 0 FCADLP C[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000175179804 488853411 /nfs/dbraw/zinc/85/34/11/488853411.db2.gz UGEQRVVIODPWAO-IRXDYDNUSA-N 2 2 355.527 0.137 20 0 FCADLP CSCC[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000178044293 488859877 /nfs/dbraw/zinc/85/98/77/488859877.db2.gz LCXWNSYPOOLNCI-UHFFFAOYSA-N 2 2 363.491 0.307 20 0 FCADLP CSCC[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000178044293 488859878 /nfs/dbraw/zinc/85/98/78/488859878.db2.gz LCXWNSYPOOLNCI-UHFFFAOYSA-N 2 2 363.491 0.307 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136285 488972888 /nfs/dbraw/zinc/97/28/88/488972888.db2.gz CPCBBRROHKTZOJ-DYVFJYSZSA-N 2 2 367.519 0.646 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000329136285 488972892 /nfs/dbraw/zinc/97/28/92/488972892.db2.gz CPCBBRROHKTZOJ-DYVFJYSZSA-N 2 2 367.519 0.646 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329164361 488976030 /nfs/dbraw/zinc/97/60/30/488976030.db2.gz GULQVTAWGMSMCY-LSDHHAIUSA-N 2 2 358.446 0.768 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329164361 488976032 /nfs/dbraw/zinc/97/60/32/488976032.db2.gz GULQVTAWGMSMCY-LSDHHAIUSA-N 2 2 358.446 0.768 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329164360 488976345 /nfs/dbraw/zinc/97/63/45/488976345.db2.gz GULQVTAWGMSMCY-HUUCEWRRSA-N 2 2 358.446 0.768 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329164360 488976347 /nfs/dbraw/zinc/97/63/47/488976347.db2.gz GULQVTAWGMSMCY-HUUCEWRRSA-N 2 2 358.446 0.768 20 0 FCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329202010 488980504 /nfs/dbraw/zinc/98/05/04/488980504.db2.gz WUTRQFPJQCHZDL-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329202010 488980506 /nfs/dbraw/zinc/98/05/06/488980506.db2.gz WUTRQFPJQCHZDL-ZACQAIPSSA-N 2 2 366.506 0.251 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329261722 488987019 /nfs/dbraw/zinc/98/70/19/488987019.db2.gz BHDVMBDJLIBCBY-INIZCTEOSA-N 2 2 364.490 0.006 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329261722 488987023 /nfs/dbraw/zinc/98/70/23/488987023.db2.gz BHDVMBDJLIBCBY-INIZCTEOSA-N 2 2 364.490 0.006 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@]3(CO)CCOC3)CC2)c1 ZINC000329301918 488991993 /nfs/dbraw/zinc/99/19/93/488991993.db2.gz NFANBSWLJVLVLA-FQEVSTJZSA-N 2 2 361.486 0.722 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@]3(CO)CCOC3)CC2)c1 ZINC000329301918 488991996 /nfs/dbraw/zinc/99/19/96/488991996.db2.gz NFANBSWLJVLVLA-FQEVSTJZSA-N 2 2 361.486 0.722 20 0 FCADLP CCO[C@@H]1C[C@@](CO)([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000364840032 489009200 /nfs/dbraw/zinc/00/92/00/489009200.db2.gz LIELFZDLJCBLTQ-QUCCMNQESA-N 2 2 369.550 0.939 20 0 FCADLP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000364840032 489009203 /nfs/dbraw/zinc/00/92/03/489009203.db2.gz LIELFZDLJCBLTQ-QUCCMNQESA-N 2 2 369.550 0.939 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@](C)(C(N)=O)C3)CC2)c1 ZINC000280688437 489024709 /nfs/dbraw/zinc/02/47/09/489024709.db2.gz HJLLDVDLENSLNE-FQEVSTJZSA-N 2 2 358.486 0.837 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@](C)(C(N)=O)C3)CC2)c1 ZINC000280688437 489024712 /nfs/dbraw/zinc/02/47/12/489024712.db2.gz HJLLDVDLENSLNE-FQEVSTJZSA-N 2 2 358.486 0.837 20 0 FCADLP CN(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c[nH+]cn1C ZINC000280696154 489025518 /nfs/dbraw/zinc/02/55/18/489025518.db2.gz ACDAAHLKHXYGSN-IEBWSBKVSA-N 2 2 371.485 0.906 20 0 FCADLP CN(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c[nH+]cn1C ZINC000280696154 489025521 /nfs/dbraw/zinc/02/55/21/489025521.db2.gz ACDAAHLKHXYGSN-IEBWSBKVSA-N 2 2 371.485 0.906 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)([NH+]2CCCCC2)CC1 ZINC000365024648 489030645 /nfs/dbraw/zinc/03/06/45/489030645.db2.gz CHGWNYAAYUQHGD-LSDHHAIUSA-N 2 2 352.479 0.086 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000329779422 489035322 /nfs/dbraw/zinc/03/53/22/489035322.db2.gz LWJJUVAPDCGCIT-UHFFFAOYSA-N 2 2 371.489 0.714 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365095942 489037922 /nfs/dbraw/zinc/03/79/22/489037922.db2.gz AKAMNYAOJOJNSI-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365095942 489037923 /nfs/dbraw/zinc/03/79/23/489037923.db2.gz AKAMNYAOJOJNSI-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000365151956 489043501 /nfs/dbraw/zinc/04/35/01/489043501.db2.gz VHFNOCQHOUOIQS-DLBZAZTESA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329984790 489058304 /nfs/dbraw/zinc/05/83/04/489058304.db2.gz CPTHJYZOEUUVHL-HZPDHXFCSA-N 2 2 368.503 0.548 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000289320145 489058364 /nfs/dbraw/zinc/05/83/64/489058364.db2.gz XCTDUPRRUSKRDP-UHFFFAOYSA-N 2 2 371.441 0.274 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330006885 489060930 /nfs/dbraw/zinc/06/09/30/489060930.db2.gz FMQSSXLNYPWOSG-UHFFFAOYSA-N 2 2 368.445 0.904 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@H]1CCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000330176609 489076456 /nfs/dbraw/zinc/07/64/56/489076456.db2.gz KCTYTXNIGIIMAS-OAHLLOKOSA-N 2 2 370.544 0.876 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289597402 489080585 /nfs/dbraw/zinc/08/05/85/489080585.db2.gz ABOKYGOGLLRUAR-SJORKVTESA-N 2 2 363.458 0.765 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000365585765 489090419 /nfs/dbraw/zinc/09/04/19/489090419.db2.gz NLBUHUVZLACEHD-INIZCTEOSA-N 2 2 352.479 0.357 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000570308296 491232796 /nfs/dbraw/zinc/23/27/96/491232796.db2.gz YKEZBLWOFCUFSU-CVEARBPZSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000289985724 489106479 /nfs/dbraw/zinc/10/64/79/489106479.db2.gz XZXPEDUUZDBDDM-OAHLLOKOSA-N 2 2 351.447 0.132 20 0 FCADLP C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000289985724 489106481 /nfs/dbraw/zinc/10/64/81/489106481.db2.gz XZXPEDUUZDBDDM-OAHLLOKOSA-N 2 2 351.447 0.132 20 0 FCADLP CN(C)c1noc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365778564 489112800 /nfs/dbraw/zinc/11/28/00/489112800.db2.gz ASLMXCGFLLJWRJ-CQSZACIVSA-N 2 2 365.482 0.446 20 0 FCADLP CN(C)c1noc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365778564 489112803 /nfs/dbraw/zinc/11/28/03/489112803.db2.gz ASLMXCGFLLJWRJ-CQSZACIVSA-N 2 2 365.482 0.446 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000554955474 491234442 /nfs/dbraw/zinc/23/44/42/491234442.db2.gz WWJKQJFSCVQBCT-UHFFFAOYSA-N 2 2 369.469 0.706 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024274 491235475 /nfs/dbraw/zinc/23/54/75/491235475.db2.gz HRFQSMHCJGMWDR-GOEBONIOSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000555024274 491235477 /nfs/dbraw/zinc/23/54/77/491235477.db2.gz HRFQSMHCJGMWDR-GOEBONIOSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024274 491235478 /nfs/dbraw/zinc/23/54/78/491235478.db2.gz HRFQSMHCJGMWDR-GOEBONIOSA-N 2 2 365.478 0.320 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000555024274 491235480 /nfs/dbraw/zinc/23/54/80/491235480.db2.gz HRFQSMHCJGMWDR-GOEBONIOSA-N 2 2 365.478 0.320 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000290543597 489148398 /nfs/dbraw/zinc/14/83/98/489148398.db2.gz OPRJVXCYYQWUSI-OAHLLOKOSA-N 2 2 368.441 0.837 20 0 FCADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1O ZINC000290612221 489153182 /nfs/dbraw/zinc/15/31/82/489153182.db2.gz HYZLLJVOLUNMOI-ZBFHGGJFSA-N 2 2 363.458 0.985 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290618118 489153297 /nfs/dbraw/zinc/15/32/97/489153297.db2.gz SDMQRFQMZWUZMY-CVEARBPZSA-N 2 2 359.474 0.719 20 0 FCADLP CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366196695 489156589 /nfs/dbraw/zinc/15/65/89/489156589.db2.gz PHPQZJGMMHGZIQ-WBVHZDCISA-N 2 2 365.522 0.854 20 0 FCADLP CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366196695 489156593 /nfs/dbraw/zinc/15/65/93/489156593.db2.gz PHPQZJGMMHGZIQ-WBVHZDCISA-N 2 2 365.522 0.854 20 0 FCADLP COC(C)(C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330939376 489159170 /nfs/dbraw/zinc/15/91/70/489159170.db2.gz BSVVCZLMPYFFJT-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000290744403 489162141 /nfs/dbraw/zinc/16/21/41/489162141.db2.gz XSFOLRBQTNBZHI-IBGZPJMESA-N 2 2 362.518 0.887 20 0 FCADLP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000290744403 489162144 /nfs/dbraw/zinc/16/21/44/489162144.db2.gz XSFOLRBQTNBZHI-IBGZPJMESA-N 2 2 362.518 0.887 20 0 FCADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000290744403 489162147 /nfs/dbraw/zinc/16/21/47/489162147.db2.gz XSFOLRBQTNBZHI-IBGZPJMESA-N 2 2 362.518 0.887 20 0 FCADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000290744403 489162150 /nfs/dbraw/zinc/16/21/50/489162150.db2.gz XSFOLRBQTNBZHI-IBGZPJMESA-N 2 2 362.518 0.887 20 0 FCADLP CN(CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)CC[NH+](C)C ZINC000290744403 489162152 /nfs/dbraw/zinc/16/21/52/489162152.db2.gz XSFOLRBQTNBZHI-IBGZPJMESA-N 2 2 362.518 0.887 20 0 FCADLP CN(CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)CC[NH+](C)C ZINC000290744403 489162155 /nfs/dbraw/zinc/16/21/55/489162155.db2.gz XSFOLRBQTNBZHI-IBGZPJMESA-N 2 2 362.518 0.887 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373081 489175194 /nfs/dbraw/zinc/17/51/94/489175194.db2.gz MFZYAYBVOBJEEM-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373081 489175196 /nfs/dbraw/zinc/17/51/96/489175196.db2.gz MFZYAYBVOBJEEM-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000366373081 489175198 /nfs/dbraw/zinc/17/51/98/489175198.db2.gz MFZYAYBVOBJEEM-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)C1 ZINC000366373081 489175201 /nfs/dbraw/zinc/17/52/01/489175201.db2.gz MFZYAYBVOBJEEM-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000331213847 489186308 /nfs/dbraw/zinc/18/63/08/489186308.db2.gz UJLQDFTYPHYRNY-HNNXBMFYSA-N 2 2 355.479 0.582 20 0 FCADLP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000331213847 489186310 /nfs/dbraw/zinc/18/63/10/489186310.db2.gz UJLQDFTYPHYRNY-HNNXBMFYSA-N 2 2 355.479 0.582 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000331213847 489186313 /nfs/dbraw/zinc/18/63/13/489186313.db2.gz UJLQDFTYPHYRNY-HNNXBMFYSA-N 2 2 355.479 0.582 20 0 FCADLP C[NH+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000331213847 489186314 /nfs/dbraw/zinc/18/63/14/489186314.db2.gz UJLQDFTYPHYRNY-HNNXBMFYSA-N 2 2 355.479 0.582 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482369 489188058 /nfs/dbraw/zinc/18/80/58/489188058.db2.gz WOGRSWZFPRXKEB-ZFWWWQNUSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 ZINC000366482369 489188060 /nfs/dbraw/zinc/18/80/60/489188060.db2.gz WOGRSWZFPRXKEB-ZFWWWQNUSA-N 2 2 374.551 0.235 20 0 FCADLP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000283064275 489211543 /nfs/dbraw/zinc/21/15/43/489211543.db2.gz JQVRUMDCNGCPEQ-ZDUSSCGKSA-N 2 2 362.438 0.306 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000369365114 489230688 /nfs/dbraw/zinc/23/06/88/489230688.db2.gz XYBQRGRUMMQPOI-MRXNPFEDSA-N 2 2 373.505 0.477 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4cnccn4)CC3)C2)CC1 ZINC000369365114 489230692 /nfs/dbraw/zinc/23/06/92/489230692.db2.gz XYBQRGRUMMQPOI-MRXNPFEDSA-N 2 2 373.505 0.477 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000332798410 489232264 /nfs/dbraw/zinc/23/22/64/489232264.db2.gz NULVWDBECQNLDX-LPHOPBHVSA-N 2 2 368.522 0.992 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000332798410 489232265 /nfs/dbraw/zinc/23/22/65/489232265.db2.gz NULVWDBECQNLDX-LPHOPBHVSA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000570433944 491240853 /nfs/dbraw/zinc/24/08/53/491240853.db2.gz BTIBQBZEJHLDOK-RDJZCZTQSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000570433944 491240855 /nfs/dbraw/zinc/24/08/55/491240855.db2.gz BTIBQBZEJHLDOK-RDJZCZTQSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000297750563 489234597 /nfs/dbraw/zinc/23/45/97/489234597.db2.gz LMDWVGHUGSNVSF-OAHLLOKOSA-N 2 2 365.478 0.035 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000297750563 489234600 /nfs/dbraw/zinc/23/46/00/489234600.db2.gz LMDWVGHUGSNVSF-OAHLLOKOSA-N 2 2 365.478 0.035 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000283272662 489236822 /nfs/dbraw/zinc/23/68/22/489236822.db2.gz FZYSIXOZPBGSTA-KRWDZBQOSA-N 2 2 355.442 0.953 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000283291790 489239962 /nfs/dbraw/zinc/23/99/62/489239962.db2.gz HJGGWUGMBUQUFN-UHFFFAOYSA-N 2 2 356.430 0.427 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)n1C ZINC000283298632 489241367 /nfs/dbraw/zinc/24/13/67/489241367.db2.gz CXHKJWNSONLWEQ-UHFFFAOYSA-N 2 2 369.429 0.109 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C[C@@H]21 ZINC000332896391 489243674 /nfs/dbraw/zinc/24/36/74/489243674.db2.gz LVLHZZCPNZVCOF-XLAORIBOSA-N 2 2 366.506 0.479 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C[C@@H]21 ZINC000332896391 489243677 /nfs/dbraw/zinc/24/36/77/489243677.db2.gz LVLHZZCPNZVCOF-XLAORIBOSA-N 2 2 366.506 0.479 20 0 FCADLP CC[C@H]1C[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000332906570 489244778 /nfs/dbraw/zinc/24/47/78/489244778.db2.gz WRFPBUURPSTTPE-GJZGRUSLSA-N 2 2 350.507 0.966 20 0 FCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@@H]21 ZINC000332949330 489249507 /nfs/dbraw/zinc/24/95/07/489249507.db2.gz SJZSROIOELOVLB-ROUUACIJSA-N 2 2 359.474 0.770 20 0 FCADLP C[N@H+]1CCO[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)C[C@@H]21 ZINC000332949330 489249509 /nfs/dbraw/zinc/24/95/09/489249509.db2.gz SJZSROIOELOVLB-ROUUACIJSA-N 2 2 359.474 0.770 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000332977568 489252975 /nfs/dbraw/zinc/25/29/75/489252975.db2.gz ISRRHRJMDPHRNA-BURFUSLBSA-N 2 2 368.522 0.773 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332976412 489253354 /nfs/dbraw/zinc/25/33/54/489253354.db2.gz HPPGTXUEPGOSLH-PVAVHDDUSA-N 2 2 354.495 0.384 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C2 ZINC000570476522 491243844 /nfs/dbraw/zinc/24/38/44/491243844.db2.gz OYHIBVVDBJBRQC-TZMCWYRMSA-N 2 2 352.504 0.595 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C[NH+]1CCOCC1 ZINC000332997990 489255488 /nfs/dbraw/zinc/25/54/88/489255488.db2.gz FNCPVGPBNQTGLA-HLLBOEOZSA-N 2 2 365.478 0.908 20 0 FCADLP CC[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000333981677 489264197 /nfs/dbraw/zinc/26/41/97/489264197.db2.gz AVTMHZZBIUQRCG-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP CC[C@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000333981677 489264201 /nfs/dbraw/zinc/26/42/01/489264201.db2.gz AVTMHZZBIUQRCG-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333897853 489264235 /nfs/dbraw/zinc/26/42/35/489264235.db2.gz IFHMWYSFALQXDE-KRWDZBQOSA-N 2 2 358.490 0.871 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000297955837 489268357 /nfs/dbraw/zinc/26/83/57/489268357.db2.gz VFSCEQLEWSMDGD-HZPDHXFCSA-N 2 2 357.458 0.283 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000297955837 489268360 /nfs/dbraw/zinc/26/83/60/489268360.db2.gz VFSCEQLEWSMDGD-HZPDHXFCSA-N 2 2 357.458 0.283 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000297971006 489270999 /nfs/dbraw/zinc/27/09/99/489270999.db2.gz XIACVFLUSKHAAP-INIZCTEOSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000297971006 489271002 /nfs/dbraw/zinc/27/10/02/489271002.db2.gz XIACVFLUSKHAAP-INIZCTEOSA-N 2 2 373.501 0.839 20 0 FCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000563409645 491243145 /nfs/dbraw/zinc/24/31/45/491243145.db2.gz BOFRBUQTJALOPG-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000563413171 491243198 /nfs/dbraw/zinc/24/31/98/491243198.db2.gz XZDUHQHBOKMIKI-ZDUSSCGKSA-N 2 2 351.447 0.965 20 0 FCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000348614970 489275692 /nfs/dbraw/zinc/27/56/92/489275692.db2.gz JLEZRVSJEOIONR-SJORKVTESA-N 2 2 369.425 0.639 20 0 FCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000348614970 489275695 /nfs/dbraw/zinc/27/56/95/489275695.db2.gz JLEZRVSJEOIONR-SJORKVTESA-N 2 2 369.425 0.639 20 0 FCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000348614970 489275697 /nfs/dbraw/zinc/27/56/97/489275697.db2.gz JLEZRVSJEOIONR-SJORKVTESA-N 2 2 369.425 0.639 20 0 FCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000348614970 489275699 /nfs/dbraw/zinc/27/56/99/489275699.db2.gz JLEZRVSJEOIONR-SJORKVTESA-N 2 2 369.425 0.639 20 0 FCADLP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000298043204 489281638 /nfs/dbraw/zinc/28/16/38/489281638.db2.gz PEQNTBXLOQEGHV-HZPDHXFCSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000298043204 489281641 /nfs/dbraw/zinc/28/16/41/489281641.db2.gz PEQNTBXLOQEGHV-HZPDHXFCSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000369949457 489295807 /nfs/dbraw/zinc/29/58/07/489295807.db2.gz XDWBVJJVCMHVIP-ZANUVAQNSA-N 2 2 351.491 0.805 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000369949457 489295811 /nfs/dbraw/zinc/29/58/11/489295811.db2.gz XDWBVJJVCMHVIP-ZANUVAQNSA-N 2 2 351.491 0.805 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563439396 491246503 /nfs/dbraw/zinc/24/65/03/491246503.db2.gz FZPQLJPWAIMHQV-FFSVYQOJSA-N 2 2 366.412 0.728 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563439396 491246506 /nfs/dbraw/zinc/24/65/06/491246506.db2.gz FZPQLJPWAIMHQV-FFSVYQOJSA-N 2 2 366.412 0.728 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000563442728 491247350 /nfs/dbraw/zinc/24/73/50/491247350.db2.gz SLWAFGLTWZAPCY-WMZOPIPTSA-N 2 2 358.486 0.514 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000563442728 491247351 /nfs/dbraw/zinc/24/73/51/491247351.db2.gz SLWAFGLTWZAPCY-WMZOPIPTSA-N 2 2 358.486 0.514 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000570529627 491247584 /nfs/dbraw/zinc/24/75/84/491247584.db2.gz XDLLZAHLWCRMIE-GJZGRUSLSA-N 2 2 354.414 0.863 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298394786 489322761 /nfs/dbraw/zinc/32/27/61/489322761.db2.gz VMHCBZLRPFAILJ-HNNXBMFYSA-N 2 2 364.494 0.650 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298394786 489322764 /nfs/dbraw/zinc/32/27/64/489322764.db2.gz VMHCBZLRPFAILJ-HNNXBMFYSA-N 2 2 364.494 0.650 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000285852790 489326819 /nfs/dbraw/zinc/32/68/19/489326819.db2.gz JYEPGDATUJLXPL-MRXNPFEDSA-N 2 2 361.421 0.866 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000298507803 489333168 /nfs/dbraw/zinc/33/31/68/489333168.db2.gz BTSMKJPJMIHONL-UHFFFAOYSA-N 2 2 363.462 0.440 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000285975350 489340480 /nfs/dbraw/zinc/34/04/80/489340480.db2.gz NYCZAHRHYNTLPD-FUHWJXTLSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000285975350 489340483 /nfs/dbraw/zinc/34/04/83/489340483.db2.gz NYCZAHRHYNTLPD-FUHWJXTLSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000285975350 489340485 /nfs/dbraw/zinc/34/04/85/489340485.db2.gz NYCZAHRHYNTLPD-FUHWJXTLSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000285975350 489340488 /nfs/dbraw/zinc/34/04/88/489340488.db2.gz NYCZAHRHYNTLPD-FUHWJXTLSA-N 2 2 374.485 0.166 20 0 FCADLP C[NH2+][C@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000286065305 489352253 /nfs/dbraw/zinc/35/22/53/489352253.db2.gz LZVZOSGOKLHJNH-IBGZPJMESA-N 2 2 370.501 0.961 20 0 FCADLP COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532287 489371799 /nfs/dbraw/zinc/37/17/99/489371799.db2.gz YBPKYLZETBXWGT-KDOFPFPSSA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532287 489371800 /nfs/dbraw/zinc/37/18/00/489371800.db2.gz YBPKYLZETBXWGT-KDOFPFPSSA-N 2 2 352.479 0.750 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392886 489386852 /nfs/dbraw/zinc/38/68/52/489386852.db2.gz BSUUKFDBDZKYHU-ZWKOTPCHSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392886 489386856 /nfs/dbraw/zinc/38/68/56/489386856.db2.gz BSUUKFDBDZKYHU-ZWKOTPCHSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392886 489386858 /nfs/dbraw/zinc/38/68/58/489386858.db2.gz BSUUKFDBDZKYHU-ZWKOTPCHSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392886 489386862 /nfs/dbraw/zinc/38/68/62/489386862.db2.gz BSUUKFDBDZKYHU-ZWKOTPCHSA-N 2 2 374.485 0.339 20 0 FCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3C[C@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690502 489392589 /nfs/dbraw/zinc/39/25/89/489392589.db2.gz NLFNNAVYGPHDJL-IRXDYDNUSA-N 2 2 353.470 1.512 20 0 FCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3C[C@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690502 489392591 /nfs/dbraw/zinc/39/25/91/489392591.db2.gz NLFNNAVYGPHDJL-IRXDYDNUSA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)c2C1 ZINC000362690502 489392593 /nfs/dbraw/zinc/39/25/93/489392593.db2.gz NLFNNAVYGPHDJL-IRXDYDNUSA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)c2C1 ZINC000362690502 489392595 /nfs/dbraw/zinc/39/25/95/489392595.db2.gz NLFNNAVYGPHDJL-IRXDYDNUSA-N 2 2 353.470 1.512 20 0 FCADLP C[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[NH+]1CCSCC1 ZINC000362783163 489397643 /nfs/dbraw/zinc/39/76/43/489397643.db2.gz YVZHNBKPCVNCCJ-GDBMZVCRSA-N 2 2 359.561 0.748 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299209755 489417948 /nfs/dbraw/zinc/41/79/48/489417948.db2.gz VUYZIPGLJUXAJJ-QGZVFWFLSA-N 2 2 371.485 0.817 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1Cl ZINC000563549596 491254210 /nfs/dbraw/zinc/25/42/10/491254210.db2.gz JRGSTMOJLLZVEF-YWPYICTPSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1Cl ZINC000563549596 491254211 /nfs/dbraw/zinc/25/42/11/491254211.db2.gz JRGSTMOJLLZVEF-YWPYICTPSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753847 489424798 /nfs/dbraw/zinc/42/47/98/489424798.db2.gz RUDLTPVATVDIHE-GOEBONIOSA-N 2 2 355.442 0.673 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753847 489424802 /nfs/dbraw/zinc/42/48/02/489424802.db2.gz RUDLTPVATVDIHE-GOEBONIOSA-N 2 2 355.442 0.673 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000570699405 491259005 /nfs/dbraw/zinc/25/90/05/491259005.db2.gz WBELMEWPPBRKPE-UONOGXRCSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000570699405 491259006 /nfs/dbraw/zinc/25/90/06/491259006.db2.gz WBELMEWPPBRKPE-UONOGXRCSA-N 2 2 359.430 0.195 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000371032171 489442056 /nfs/dbraw/zinc/44/20/56/489442056.db2.gz VULJAAXGJHPMNK-QGZVFWFLSA-N 2 2 370.457 0.404 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000371032171 489442059 /nfs/dbraw/zinc/44/20/59/489442059.db2.gz VULJAAXGJHPMNK-QGZVFWFLSA-N 2 2 370.457 0.404 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299469060 489444783 /nfs/dbraw/zinc/44/47/83/489444783.db2.gz FZQXABCAIVGMAI-INIZCTEOSA-N 2 2 374.489 0.371 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000299469060 489444785 /nfs/dbraw/zinc/44/47/85/489444785.db2.gz FZQXABCAIVGMAI-INIZCTEOSA-N 2 2 374.489 0.371 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363278197 489448045 /nfs/dbraw/zinc/44/80/45/489448045.db2.gz KFJNVKBEDWANBI-ROUUACIJSA-N 2 2 373.501 0.261 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363278196 489448101 /nfs/dbraw/zinc/44/81/01/489448101.db2.gz KFJNVKBEDWANBI-QZTJIDSGSA-N 2 2 373.501 0.261 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)N1CCNC1=O ZINC000371156602 489458240 /nfs/dbraw/zinc/45/82/40/489458240.db2.gz KUJUHRWYTQCPKI-UHFFFAOYSA-N 3 2 365.522 0.666 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)N1CCNC1=O ZINC000371156602 489458241 /nfs/dbraw/zinc/45/82/41/489458241.db2.gz KUJUHRWYTQCPKI-UHFFFAOYSA-N 3 2 365.522 0.666 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373394 489459378 /nfs/dbraw/zinc/45/93/78/489459378.db2.gz OGOKTHPJHJBDGT-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373394 489459380 /nfs/dbraw/zinc/45/93/80/489459380.db2.gz OGOKTHPJHJBDGT-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373394 489459382 /nfs/dbraw/zinc/45/93/82/489459382.db2.gz OGOKTHPJHJBDGT-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373394 489459385 /nfs/dbraw/zinc/45/93/85/489459385.db2.gz OGOKTHPJHJBDGT-SOLBZPMBSA-N 2 2 368.522 0.401 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000563560651 491255200 /nfs/dbraw/zinc/25/52/00/491255200.db2.gz OQPDRQUCSMRCFT-JKSUJKDBSA-N 2 2 360.437 0.851 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000287172530 489467129 /nfs/dbraw/zinc/46/71/29/489467129.db2.gz NAPTVWWOMIBWKL-CQSZACIVSA-N 2 2 358.446 0.784 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296460 489474742 /nfs/dbraw/zinc/47/47/42/489474742.db2.gz ZNJYHHHSKMIGEM-VNQPRFMTSA-N 2 2 364.446 0.789 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296460 489474745 /nfs/dbraw/zinc/47/47/45/489474745.db2.gz ZNJYHHHSKMIGEM-VNQPRFMTSA-N 2 2 364.446 0.789 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000371299353 489475559 /nfs/dbraw/zinc/47/55/59/489475559.db2.gz FZPRPLRQUUCSHQ-ZJPYXAASSA-N 2 2 366.506 0.297 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000371299353 489475561 /nfs/dbraw/zinc/47/55/61/489475561.db2.gz FZPRPLRQUUCSHQ-ZJPYXAASSA-N 2 2 366.506 0.297 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000371326163 489477306 /nfs/dbraw/zinc/47/73/06/489477306.db2.gz LHDBJXYIVVKFGS-SFHVURJKSA-N 2 2 369.469 0.811 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000371326163 489477308 /nfs/dbraw/zinc/47/73/08/489477308.db2.gz LHDBJXYIVVKFGS-SFHVURJKSA-N 2 2 369.469 0.811 20 0 FCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371337181 489478249 /nfs/dbraw/zinc/47/82/49/489478249.db2.gz STUZUNOIRQCBCY-ROUUACIJSA-N 2 2 354.539 0.877 20 0 FCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371337181 489478251 /nfs/dbraw/zinc/47/82/51/489478251.db2.gz STUZUNOIRQCBCY-ROUUACIJSA-N 2 2 354.539 0.877 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)CC1 ZINC000363572325 489480223 /nfs/dbraw/zinc/48/02/23/489480223.db2.gz CTSCLEVYXYCKSQ-RDTXWAMCSA-N 2 2 350.463 0.955 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@](C)(O)c3ccco3)C2)CC1 ZINC000363572325 489480225 /nfs/dbraw/zinc/48/02/25/489480225.db2.gz CTSCLEVYXYCKSQ-RDTXWAMCSA-N 2 2 350.463 0.955 20 0 FCADLP [NH3+]C1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000563590707 491256422 /nfs/dbraw/zinc/25/64/22/491256422.db2.gz SRBCKUDDOUWREE-UHFFFAOYSA-N 2 2 365.522 0.844 20 0 FCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000371426495 489484023 /nfs/dbraw/zinc/48/40/23/489484023.db2.gz XVOHDUOALZOFJB-KRWDZBQOSA-N 2 2 362.474 0.315 20 0 FCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000371426495 489484025 /nfs/dbraw/zinc/48/40/25/489484025.db2.gz XVOHDUOALZOFJB-KRWDZBQOSA-N 2 2 362.474 0.315 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423240097 489506451 /nfs/dbraw/zinc/50/64/51/489506451.db2.gz KIDGHISLTDPKMY-MRXNPFEDSA-N 2 2 366.506 0.014 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423239795 489506678 /nfs/dbraw/zinc/50/66/78/489506678.db2.gz BRVVFLUTSWIJKA-HOTGVXAUSA-N 2 2 374.485 0.548 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423252406 489507220 /nfs/dbraw/zinc/50/72/20/489507220.db2.gz UFHSWMYHAAPQTA-HZPDHXFCSA-N 2 2 374.485 0.535 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423255204 489508055 /nfs/dbraw/zinc/50/80/55/489508055.db2.gz BENMRNJCGXVHMK-GOEBONIOSA-N 2 2 360.458 0.460 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000423260338 489508510 /nfs/dbraw/zinc/50/85/10/489508510.db2.gz QBFQIEZDMWQYDR-NVXWUHKLSA-N 2 2 374.485 0.850 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415128259 489512755 /nfs/dbraw/zinc/51/27/55/489512755.db2.gz SSPQNYZGEODJLH-HNNXBMFYSA-N 3 2 362.478 0.477 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415128259 489512758 /nfs/dbraw/zinc/51/27/58/489512758.db2.gz SSPQNYZGEODJLH-HNNXBMFYSA-N 3 2 362.478 0.477 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000415187352 489513061 /nfs/dbraw/zinc/51/30/61/489513061.db2.gz MHAZBHBQZPKRPJ-IYBDPMFKSA-N 2 2 364.494 1.102 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423305493 489513504 /nfs/dbraw/zinc/51/35/04/489513504.db2.gz KMVVUEUMUYBMIH-INIZCTEOSA-N 2 2 355.442 0.840 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423301666 489513543 /nfs/dbraw/zinc/51/35/43/489513543.db2.gz UJQMTLSKOKXKRH-MRXNPFEDSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423301666 489513544 /nfs/dbraw/zinc/51/35/44/489513544.db2.gz UJQMTLSKOKXKRH-MRXNPFEDSA-N 2 2 358.486 0.917 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423305494 489513573 /nfs/dbraw/zinc/51/35/73/489513573.db2.gz KMVVUEUMUYBMIH-MRXNPFEDSA-N 2 2 355.442 0.840 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCC[NH2+]C3CC3)ccn2)CC1 ZINC000415422615 489519583 /nfs/dbraw/zinc/51/95/83/489519583.db2.gz ZNUPOFPIDPHYHA-UHFFFAOYSA-N 2 2 360.462 0.733 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000371986337 489531332 /nfs/dbraw/zinc/53/13/32/489531332.db2.gz IHZIWTGZYZLKNV-ZWKOTPCHSA-N 2 2 368.522 0.994 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371987674 489531521 /nfs/dbraw/zinc/53/15/21/489531521.db2.gz OLJBGWNTSJMAHS-SJORKVTESA-N 2 2 368.522 0.728 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415571202 489531681 /nfs/dbraw/zinc/53/16/81/489531681.db2.gz TWVDLGYZLBYVSY-LSDHHAIUSA-N 2 2 360.458 0.666 20 0 FCADLP C[C@H](c1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1)[NH+]1CCOCC1 ZINC000415619382 489537789 /nfs/dbraw/zinc/53/77/89/489537789.db2.gz YPVUWZMRVNTDIS-GFCCVEGCSA-N 2 2 370.400 0.729 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000563673202 491262339 /nfs/dbraw/zinc/26/23/39/491262339.db2.gz LKEUJVQWUAFTIY-OLMNGRFOSA-N 2 2 359.536 0.777 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049654 489553448 /nfs/dbraw/zinc/55/34/48/489553448.db2.gz MPTUGCFGNFHFPE-QZTJIDSGSA-N 2 2 369.554 0.670 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049654 489553451 /nfs/dbraw/zinc/55/34/51/489553451.db2.gz MPTUGCFGNFHFPE-QZTJIDSGSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000555649029 491262570 /nfs/dbraw/zinc/26/25/70/491262570.db2.gz LCHCOJHGQYLLRP-UHFFFAOYSA-N 2 2 366.531 0.893 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426275007 489561929 /nfs/dbraw/zinc/56/19/29/489561929.db2.gz DVGYNMJPBOMCQK-UHFFFAOYSA-N 2 2 353.511 0.842 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000415951283 489565501 /nfs/dbraw/zinc/56/55/01/489565501.db2.gz JALWTUOHMDOYJY-AWEZNQCLSA-N 2 2 368.445 0.682 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000555668394 491263952 /nfs/dbraw/zinc/26/39/52/491263952.db2.gz UAZUSIJJEPYADO-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+](C)C1(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000416308776 489582562 /nfs/dbraw/zinc/58/25/62/489582562.db2.gz SANQRZBGXKJDFL-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000570795512 491264746 /nfs/dbraw/zinc/26/47/46/491264746.db2.gz WQHXBNWNQVKWOU-CYBMUJFWSA-N 2 2 363.430 0.288 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000570795512 491264749 /nfs/dbraw/zinc/26/47/49/491264749.db2.gz WQHXBNWNQVKWOU-CYBMUJFWSA-N 2 2 363.430 0.288 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000555675829 491265271 /nfs/dbraw/zinc/26/52/71/491265271.db2.gz LJGCPOOTABACBS-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP COCC[NH2+]CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416890580 489632850 /nfs/dbraw/zinc/63/28/50/489632850.db2.gz SXAQLXHYSAIDCX-SFHVURJKSA-N 2 2 364.490 0.904 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033533 489633800 /nfs/dbraw/zinc/63/38/00/489633800.db2.gz QIJKJDCKKNNZLJ-AEFFLSMTSA-N 2 2 356.470 0.879 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033533 489633802 /nfs/dbraw/zinc/63/38/02/489633802.db2.gz QIJKJDCKKNNZLJ-AEFFLSMTSA-N 2 2 356.470 0.879 20 0 FCADLP Cc1cccc([C@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCOCC2)c1 ZINC000416986951 489637920 /nfs/dbraw/zinc/63/79/20/489637920.db2.gz AXZDNFMFGYUENY-KRWDZBQOSA-N 2 2 350.463 0.331 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)[nH+]c1 ZINC000417059209 489639763 /nfs/dbraw/zinc/63/97/63/489639763.db2.gz HTNFSJYWRFTVLC-INIZCTEOSA-N 2 2 374.489 0.798 20 0 FCADLP C[C@](O)(CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000372821072 489639910 /nfs/dbraw/zinc/63/99/10/489639910.db2.gz JMSALXBDBIXLIT-QAPCUYQASA-N 2 2 363.462 0.043 20 0 FCADLP [NH3+][C@@H](CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000417149259 489643839 /nfs/dbraw/zinc/64/38/39/489643839.db2.gz DGZDTSMVVRFEKX-KRWDZBQOSA-N 2 2 369.473 0.598 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cn2c1 ZINC000417185406 489644413 /nfs/dbraw/zinc/64/44/13/489644413.db2.gz DDDGALVUSSRVPE-CQSZACIVSA-N 2 2 358.446 0.639 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257102 489645628 /nfs/dbraw/zinc/64/56/28/489645628.db2.gz GTQGOAQJRJIDIS-DOTOQJQBSA-N 2 2 356.536 0.835 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257258 489645695 /nfs/dbraw/zinc/64/56/95/489645695.db2.gz HMRBJASPGXKNAU-RDJZCZTQSA-N 2 2 356.536 0.965 20 0 FCADLP C[C@H]([NH3+])CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417293502 489646965 /nfs/dbraw/zinc/64/69/65/489646965.db2.gz FUWFWSXLXFUNBI-HNNXBMFYSA-N 2 2 350.463 0.934 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000457514887 489647857 /nfs/dbraw/zinc/64/78/57/489647857.db2.gz NCOMFDCDOJWDOK-BBWFWOEESA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000457514887 489647860 /nfs/dbraw/zinc/64/78/60/489647860.db2.gz NCOMFDCDOJWDOK-BBWFWOEESA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000457514887 489647862 /nfs/dbraw/zinc/64/78/62/489647862.db2.gz NCOMFDCDOJWDOK-BBWFWOEESA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000457514887 489647864 /nfs/dbraw/zinc/64/78/64/489647864.db2.gz NCOMFDCDOJWDOK-BBWFWOEESA-N 2 2 356.511 0.440 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417316091 489648060 /nfs/dbraw/zinc/64/80/60/489648060.db2.gz DOLIBFZMVPRFGM-HNNXBMFYSA-N 2 2 350.463 0.792 20 0 FCADLP C[C@H]([NH3+])CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417316830 489648171 /nfs/dbraw/zinc/64/81/71/489648171.db2.gz GKHBSXNHABUVDJ-HNNXBMFYSA-N 2 2 350.463 0.934 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417369298 489650483 /nfs/dbraw/zinc/65/04/83/489650483.db2.gz QPBLQRCBZLSQDO-CVEARBPZSA-N 2 2 374.489 0.689 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](CN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC000457764440 489656336 /nfs/dbraw/zinc/65/63/36/489656336.db2.gz MNXWUSVHDBNGHG-MRXNPFEDSA-N 2 2 360.462 0.996 20 0 FCADLP CC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373062146 489665328 /nfs/dbraw/zinc/66/53/28/489665328.db2.gz ANFQEQQJUJSROQ-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373062146 489665331 /nfs/dbraw/zinc/66/53/31/489665331.db2.gz ANFQEQQJUJSROQ-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CCOC1CC(O)(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000373107537 489668859 /nfs/dbraw/zinc/66/88/59/489668859.db2.gz UEJDSCHLDMOYJR-UHFFFAOYSA-N 2 2 368.522 0.774 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cn21 ZINC000417992338 489674928 /nfs/dbraw/zinc/67/49/28/489674928.db2.gz OFCBVAVEQMYFFC-AWEZNQCLSA-N 2 2 358.446 0.639 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCN(C)CC1 ZINC000458440330 489683462 /nfs/dbraw/zinc/68/34/62/489683462.db2.gz MOKLEXLBFVHTIM-ZACQAIPSSA-N 2 2 353.511 0.032 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCN(C)CC1 ZINC000458440330 489683464 /nfs/dbraw/zinc/68/34/64/489683464.db2.gz MOKLEXLBFVHTIM-ZACQAIPSSA-N 2 2 353.511 0.032 20 0 FCADLP CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cn2c([nH+]1)CCCC2 ZINC000429524939 489690861 /nfs/dbraw/zinc/69/08/61/489690861.db2.gz BJEIVSMRHKWVEP-UHFFFAOYSA-N 2 2 363.506 0.878 20 0 FCADLP CC[NH2+]CCNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418317896 489692031 /nfs/dbraw/zinc/69/20/31/489692031.db2.gz NPCNWHPJULCGEL-UHFFFAOYSA-N 2 2 365.453 0.492 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418424146 489697476 /nfs/dbraw/zinc/69/74/76/489697476.db2.gz GJLNRSWVJOYVCE-HOTGVXAUSA-N 2 2 353.511 0.698 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000418441652 489698174 /nfs/dbraw/zinc/69/81/74/489698174.db2.gz SDCBBGJBXSSVIO-HNNXBMFYSA-N 2 2 371.526 0.372 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000418478023 489700847 /nfs/dbraw/zinc/70/08/47/489700847.db2.gz YSCYFNBRAZUBML-CVEARBPZSA-N 2 2 353.511 0.842 20 0 FCADLP C[N@H+](CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000489255754 489703547 /nfs/dbraw/zinc/70/35/47/489703547.db2.gz RJOKATHGDHFYFC-GJZGRUSLSA-N 2 2 354.520 0.189 20 0 FCADLP C[N@@H+](CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000489255754 489703549 /nfs/dbraw/zinc/70/35/49/489703549.db2.gz RJOKATHGDHFYFC-GJZGRUSLSA-N 2 2 354.520 0.189 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418561851 489707009 /nfs/dbraw/zinc/70/70/09/489707009.db2.gz ZNYAJHPEQJDVHG-SFHVURJKSA-N 2 2 353.511 0.572 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc2c[nH+]cn2c1 ZINC000555787237 491272774 /nfs/dbraw/zinc/27/27/74/491272774.db2.gz YOSQSSQKYIPNHQ-UHFFFAOYSA-N 2 2 351.414 0.676 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC000469522919 489710505 /nfs/dbraw/zinc/71/05/05/489710505.db2.gz ZZYWDDCYMYEJNM-GOSISDBHSA-N 2 2 363.458 0.509 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC000469522919 489710508 /nfs/dbraw/zinc/71/05/08/489710508.db2.gz ZZYWDDCYMYEJNM-GOSISDBHSA-N 2 2 363.458 0.509 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000469522919 489710512 /nfs/dbraw/zinc/71/05/12/489710512.db2.gz ZZYWDDCYMYEJNM-GOSISDBHSA-N 2 2 363.458 0.509 20 0 FCADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000469522919 489710513 /nfs/dbraw/zinc/71/05/13/489710513.db2.gz ZZYWDDCYMYEJNM-GOSISDBHSA-N 2 2 363.458 0.509 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000418732743 489720369 /nfs/dbraw/zinc/72/03/69/489720369.db2.gz UUGULLYULGAHNS-HZPDHXFCSA-N 2 2 351.495 0.454 20 0 FCADLP O=C1CO[C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2N1 ZINC000375665168 489724550 /nfs/dbraw/zinc/72/45/50/489724550.db2.gz QGBIWHNJKGFOKT-RTBURBONSA-N 2 2 358.486 0.788 20 0 FCADLP O=C1CO[C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2N1 ZINC000375665168 489724552 /nfs/dbraw/zinc/72/45/52/489724552.db2.gz QGBIWHNJKGFOKT-RTBURBONSA-N 2 2 358.486 0.788 20 0 FCADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000489829902 489729978 /nfs/dbraw/zinc/72/99/78/489729978.db2.gz UPPRTSJJVYNQJR-HNNXBMFYSA-N 2 2 361.446 0.323 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489959319 489737760 /nfs/dbraw/zinc/73/77/60/489737760.db2.gz UZQLUFGSDRSGDW-BZUAXINKSA-N 2 2 351.495 0.370 20 0 FCADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489957480 489737904 /nfs/dbraw/zinc/73/79/04/489737904.db2.gz QFGABPSRJDBJBX-UONOGXRCSA-N 2 2 363.437 0.842 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430552797 489746488 /nfs/dbraw/zinc/74/64/88/489746488.db2.gz BTRUXFKMZITCLK-RYUDHWBXSA-N 2 2 370.475 0.340 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430552797 489746491 /nfs/dbraw/zinc/74/64/91/489746491.db2.gz BTRUXFKMZITCLK-RYUDHWBXSA-N 2 2 370.475 0.340 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568549 489746804 /nfs/dbraw/zinc/74/68/04/489746804.db2.gz CYAPBXXELVSXQK-DOMZBBRYSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000430568549 489746808 /nfs/dbraw/zinc/74/68/08/489746808.db2.gz CYAPBXXELVSXQK-DOMZBBRYSA-N 2 2 356.492 0.966 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c1C ZINC000430578538 489748031 /nfs/dbraw/zinc/74/80/31/489748031.db2.gz PMRUMTQYTMWGCD-MRXNPFEDSA-N 2 2 356.492 0.852 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608289 489752441 /nfs/dbraw/zinc/75/24/41/489752441.db2.gz FAUVJDLKSUFKCO-LSDHHAIUSA-N 2 2 362.474 0.625 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608289 489752445 /nfs/dbraw/zinc/75/24/45/489752445.db2.gz FAUVJDLKSUFKCO-LSDHHAIUSA-N 2 2 362.474 0.625 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000418846062 489753283 /nfs/dbraw/zinc/75/32/83/489753283.db2.gz QDGRWNUTLCQWIE-OAHLLOKOSA-N 2 2 355.442 0.947 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000459803453 489754476 /nfs/dbraw/zinc/75/44/76/489754476.db2.gz BSSPUJWRSWVTJH-UHFFFAOYSA-N 2 2 358.486 0.537 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430632253 489759009 /nfs/dbraw/zinc/75/90/09/489759009.db2.gz XNPNZMKFCJHVHX-KRWDZBQOSA-N 2 2 362.449 0.993 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430632253 489759011 /nfs/dbraw/zinc/75/90/11/489759011.db2.gz XNPNZMKFCJHVHX-KRWDZBQOSA-N 2 2 362.449 0.993 20 0 FCADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430631109 489759332 /nfs/dbraw/zinc/75/93/32/489759332.db2.gz TWUXZGQLBHEEFV-HNNXBMFYSA-N 2 2 371.485 0.579 20 0 FCADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430631109 489759336 /nfs/dbraw/zinc/75/93/36/489759336.db2.gz TWUXZGQLBHEEFV-HNNXBMFYSA-N 2 2 371.485 0.579 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3COC[C@H]3OC)CC2)cc1 ZINC000459822024 489760173 /nfs/dbraw/zinc/76/01/73/489760173.db2.gz GZRUIDAEIWLDCV-ZWKOTPCHSA-N 2 2 363.458 0.343 20 0 FCADLP Cc1ccc(SCCNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430637465 489760670 /nfs/dbraw/zinc/76/06/70/489760670.db2.gz LCRRBZLJBPDERD-UHFFFAOYSA-N 2 2 364.515 0.567 20 0 FCADLP Cc1ccc(SCCNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000430637465 489760674 /nfs/dbraw/zinc/76/06/74/489760674.db2.gz LCRRBZLJBPDERD-UHFFFAOYSA-N 2 2 364.515 0.567 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459824455 489760935 /nfs/dbraw/zinc/76/09/35/489760935.db2.gz FCXMJTLYVYTLKP-IYBDPMFKSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459824455 489760939 /nfs/dbraw/zinc/76/09/39/489760939.db2.gz FCXMJTLYVYTLKP-IYBDPMFKSA-N 2 2 352.523 0.975 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000555855390 491277211 /nfs/dbraw/zinc/27/72/11/491277211.db2.gz YZRLMRCTIHWDSO-INIZCTEOSA-N 2 2 356.511 0.306 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000555855390 491277213 /nfs/dbraw/zinc/27/72/13/491277213.db2.gz YZRLMRCTIHWDSO-INIZCTEOSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430649896 489761731 /nfs/dbraw/zinc/76/17/31/489761731.db2.gz UIBCIOCLRKGCJU-ZDUSSCGKSA-N 2 2 362.430 0.148 20 0 FCADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430649896 489761735 /nfs/dbraw/zinc/76/17/35/489761735.db2.gz UIBCIOCLRKGCJU-ZDUSSCGKSA-N 2 2 362.430 0.148 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000459829187 489762702 /nfs/dbraw/zinc/76/27/02/489762702.db2.gz IBMIFMAFZZVEFA-QGZVFWFLSA-N 2 2 371.485 0.817 20 0 FCADLP CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430661943 489762971 /nfs/dbraw/zinc/76/29/71/489762971.db2.gz GVKOBDPYWBOUMG-QGZVFWFLSA-N 2 2 372.469 0.972 20 0 FCADLP CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430661943 489762975 /nfs/dbraw/zinc/76/29/75/489762975.db2.gz GVKOBDPYWBOUMG-QGZVFWFLSA-N 2 2 372.469 0.972 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430716111 489766439 /nfs/dbraw/zinc/76/64/39/489766439.db2.gz BVQMXVASXBBFAC-KRWDZBQOSA-N 2 2 359.430 0.862 20 0 FCADLP O=C(C[NH2+]CC1CC1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430734080 489768033 /nfs/dbraw/zinc/76/80/33/489768033.db2.gz KQHRSDLVFIPXQJ-UHFFFAOYSA-N 2 2 350.507 0.827 20 0 FCADLP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430731368 489768091 /nfs/dbraw/zinc/76/80/91/489768091.db2.gz VUURCEIUCWMAPA-IRXDYDNUSA-N 2 2 350.507 0.955 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000418874987 489769688 /nfs/dbraw/zinc/76/96/88/489769688.db2.gz JSKUQUWIJZODDV-SWLSCSKDSA-N 2 2 352.866 0.879 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2cccs2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000459864714 489773760 /nfs/dbraw/zinc/77/37/60/489773760.db2.gz NXUVENSALXLKEM-INIZCTEOSA-N 2 2 374.510 0.865 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000376677707 489774205 /nfs/dbraw/zinc/77/42/05/489774205.db2.gz DFHGHGVOZRBWKE-GJZGRUSLSA-N 2 2 359.474 0.852 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430928779 489778342 /nfs/dbraw/zinc/77/83/42/489778342.db2.gz MLFFXWJNLAWGNB-DVOMOZLQSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430928779 489778347 /nfs/dbraw/zinc/77/83/47/489778347.db2.gz MLFFXWJNLAWGNB-DVOMOZLQSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430928780 489778482 /nfs/dbraw/zinc/77/84/82/489778482.db2.gz MLFFXWJNLAWGNB-IOASZLSFSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430928780 489778487 /nfs/dbraw/zinc/77/84/87/489778487.db2.gz MLFFXWJNLAWGNB-IOASZLSFSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000430931005 489778685 /nfs/dbraw/zinc/77/86/85/489778685.db2.gz BYEXBNDFPAHUOP-QFBILLFUSA-N 2 2 360.502 0.804 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000430931005 489778688 /nfs/dbraw/zinc/77/86/88/489778688.db2.gz BYEXBNDFPAHUOP-QFBILLFUSA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000430931005 489778690 /nfs/dbraw/zinc/77/86/90/489778690.db2.gz BYEXBNDFPAHUOP-QFBILLFUSA-N 3 2 360.502 0.804 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000418894213 489779007 /nfs/dbraw/zinc/77/90/07/489779007.db2.gz IGXPCAKJOMOQIU-UHFFFAOYSA-N 2 2 355.442 0.941 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430936212 489779299 /nfs/dbraw/zinc/77/92/99/489779299.db2.gz XXJIJVTUEBPIOG-GOEBONIOSA-N 2 2 359.536 0.732 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934554 489779332 /nfs/dbraw/zinc/77/93/32/489779332.db2.gz NBJCXFRAXAYDFX-MJBXVCDLSA-N 2 2 368.503 0.441 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430934554 489779338 /nfs/dbraw/zinc/77/93/38/489779338.db2.gz NBJCXFRAXAYDFX-MJBXVCDLSA-N 2 2 368.503 0.441 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430936083 489779366 /nfs/dbraw/zinc/77/93/66/489779366.db2.gz WXYQULCCEPFRNE-GDBMZVCRSA-N 2 2 359.536 0.717 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430936210 489779426 /nfs/dbraw/zinc/77/94/26/489779426.db2.gz XXJIJVTUEBPIOG-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430941137 489779579 /nfs/dbraw/zinc/77/95/79/489779579.db2.gz ULSYBOQDQLOSJC-OCCSQVGLSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430941137 489779582 /nfs/dbraw/zinc/77/95/82/489779582.db2.gz ULSYBOQDQLOSJC-OCCSQVGLSA-N 2 2 351.447 0.998 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000459882602 489779844 /nfs/dbraw/zinc/77/98/44/489779844.db2.gz DWFFJLXTIUOYHY-UHFFFAOYSA-N 2 2 368.522 0.357 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)C1 ZINC000430941335 489779990 /nfs/dbraw/zinc/77/99/90/489779990.db2.gz VUHQAACOOVEJPT-CYBMUJFWSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)C1 ZINC000430941335 489779992 /nfs/dbraw/zinc/77/99/92/489779992.db2.gz VUHQAACOOVEJPT-CYBMUJFWSA-N 2 2 351.447 0.870 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000459892882 489783685 /nfs/dbraw/zinc/78/36/85/489783685.db2.gz ACRAUQGAIJAHIH-UHFFFAOYSA-N 2 2 356.511 0.213 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418909697 489786687 /nfs/dbraw/zinc/78/66/87/489786687.db2.gz UIIZRTYSTFMXSD-KRWDZBQOSA-N 2 2 355.442 0.806 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000490901824 489789658 /nfs/dbraw/zinc/78/96/58/489789658.db2.gz QUUNQOJRYMHZBY-UHFFFAOYSA-N 2 2 357.568 0.752 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000418940385 489797079 /nfs/dbraw/zinc/79/70/79/489797079.db2.gz JAEMYWIWTGBQHZ-UKRRQHHQSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000418940385 489797085 /nfs/dbraw/zinc/79/70/85/489797085.db2.gz JAEMYWIWTGBQHZ-UKRRQHHQSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H]1C[NH3+] ZINC000418942710 489797963 /nfs/dbraw/zinc/79/79/63/489797963.db2.gz LQOGIPWJYZJMRE-ZFWWWQNUSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@H]1C[NH3+] ZINC000418942710 489797967 /nfs/dbraw/zinc/79/79/67/489797967.db2.gz LQOGIPWJYZJMRE-ZFWWWQNUSA-N 2 2 364.515 0.808 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000376801880 489798065 /nfs/dbraw/zinc/79/80/65/489798065.db2.gz NXNBGVNEAROSPD-RCCFBDPRSA-N 2 2 368.522 0.848 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000376801880 489798066 /nfs/dbraw/zinc/79/80/66/489798066.db2.gz NXNBGVNEAROSPD-RCCFBDPRSA-N 2 2 368.522 0.848 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418948398 489800652 /nfs/dbraw/zinc/80/06/52/489800652.db2.gz UBKUBGPTSFGQDK-DZGCQCFKSA-N 2 2 362.499 0.290 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418948398 489800658 /nfs/dbraw/zinc/80/06/58/489800658.db2.gz UBKUBGPTSFGQDK-DZGCQCFKSA-N 2 2 362.499 0.290 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459942692 489800912 /nfs/dbraw/zinc/80/09/12/489800912.db2.gz ZRGWZQVCTYUCLW-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459942692 489800916 /nfs/dbraw/zinc/80/09/16/489800916.db2.gz ZRGWZQVCTYUCLW-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)CN1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000475027491 489802620 /nfs/dbraw/zinc/80/26/20/489802620.db2.gz HHPANNHOUHBWCW-GOSISDBHSA-N 2 2 370.501 0.946 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000459985445 489809584 /nfs/dbraw/zinc/80/95/84/489809584.db2.gz DMIWFMARXGTCKO-HOTGVXAUSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000459985445 489809590 /nfs/dbraw/zinc/80/95/90/489809590.db2.gz DMIWFMARXGTCKO-HOTGVXAUSA-N 2 2 352.523 0.975 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCSC(C)(C)C1 ZINC000459994648 489811473 /nfs/dbraw/zinc/81/14/73/489811473.db2.gz VTKIOTZPUJEEDP-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCSC(C)(C)C1 ZINC000459994648 489811477 /nfs/dbraw/zinc/81/14/77/489811477.db2.gz VTKIOTZPUJEEDP-UHFFFAOYSA-N 2 2 370.563 0.825 20 0 FCADLP O=C1C[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CN1CC[NH+]1CCOCC1 ZINC000376886185 489811919 /nfs/dbraw/zinc/81/19/19/489811919.db2.gz GEYRDDYASZVFAY-IHRRRGAJSA-N 2 2 365.396 0.619 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1F ZINC000419017430 489819256 /nfs/dbraw/zinc/81/92/56/489819256.db2.gz AUVBDAGFOKPZQR-GFCCVEGCSA-N 2 2 359.405 0.756 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000555898047 491281071 /nfs/dbraw/zinc/28/10/71/491281071.db2.gz DBGPNGBYTSHFJG-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000571038263 491281174 /nfs/dbraw/zinc/28/11/74/491281174.db2.gz CKXFAFHRPGZLCY-HNNXBMFYSA-N 2 2 350.488 0.603 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000419025213 489822379 /nfs/dbraw/zinc/82/23/79/489822379.db2.gz YQTDZXAAJPWEQS-KBPBESRZSA-N 2 2 361.833 0.839 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000419025714 489822565 /nfs/dbraw/zinc/82/25/65/489822565.db2.gz MQZHRJSBCDEERZ-UHFFFAOYSA-N 2 2 359.405 0.825 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419039121 489828916 /nfs/dbraw/zinc/82/89/16/489828916.db2.gz KPFCYSFHTUSSNZ-XJKSGUPXSA-N 2 2 371.441 0.718 20 0 FCADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@@H]12 ZINC000419039207 489829469 /nfs/dbraw/zinc/82/94/69/489829469.db2.gz KWPIEDCZNVJJJQ-USXIJHARSA-N 2 2 353.426 0.684 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419039114 489829524 /nfs/dbraw/zinc/82/95/24/489829524.db2.gz KPFCYSFHTUSSNZ-BBRMVZONSA-N 2 2 371.441 0.718 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000557379578 491370837 /nfs/dbraw/zinc/37/08/37/491370837.db2.gz JZDCYBYVTMVXJZ-OAHLLOKOSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000557379578 491370838 /nfs/dbraw/zinc/37/08/38/491370838.db2.gz JZDCYBYVTMVXJZ-OAHLLOKOSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000557379578 491370839 /nfs/dbraw/zinc/37/08/39/491370839.db2.gz JZDCYBYVTMVXJZ-OAHLLOKOSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000557379578 491370840 /nfs/dbraw/zinc/37/08/40/491370840.db2.gz JZDCYBYVTMVXJZ-OAHLLOKOSA-N 2 2 356.511 0.402 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC000419055458 489837574 /nfs/dbraw/zinc/83/75/74/489837574.db2.gz BCQGHPUJSLHEPK-DVOMOZLQSA-N 2 2 373.432 0.974 20 0 FCADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000432362796 489838836 /nfs/dbraw/zinc/83/88/36/489838836.db2.gz PDJLFTNTGZBFAU-KRWDZBQOSA-N 2 2 362.522 0.819 20 0 FCADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000432362796 489838841 /nfs/dbraw/zinc/83/88/41/489838841.db2.gz PDJLFTNTGZBFAU-KRWDZBQOSA-N 2 2 362.522 0.819 20 0 FCADLP C[C@H]1C[N@@H+](CCCNCc2cnc(N3CC[NH+](C)CC3)nc2)CCCO1 ZINC000432362796 489838851 /nfs/dbraw/zinc/83/88/51/489838851.db2.gz PDJLFTNTGZBFAU-KRWDZBQOSA-N 2 2 362.522 0.819 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000419060660 489839181 /nfs/dbraw/zinc/83/91/81/489839181.db2.gz FIYWUZWHBRZEPW-BARDWOONSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000419060660 489839185 /nfs/dbraw/zinc/83/91/85/489839185.db2.gz FIYWUZWHBRZEPW-BARDWOONSA-N 2 2 354.495 0.199 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419067910 489842687 /nfs/dbraw/zinc/84/26/87/489842687.db2.gz DSXMPMOIXKMHKV-DOMZBBRYSA-N 2 2 359.405 0.585 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000555910449 491282509 /nfs/dbraw/zinc/28/25/09/491282509.db2.gz ZKVHYPJGSILKPQ-ZACQAIPSSA-N 2 2 368.522 0.258 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000460077144 489844817 /nfs/dbraw/zinc/84/48/17/489844817.db2.gz LJRRJNBKTJEHET-IAGOWNOFSA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000460077144 489844821 /nfs/dbraw/zinc/84/48/21/489844821.db2.gz LJRRJNBKTJEHET-IAGOWNOFSA-N 2 2 373.501 0.898 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367224 489845742 /nfs/dbraw/zinc/84/57/42/489845742.db2.gz FJZFTFGLNXFWJX-SFHVURJKSA-N 3 2 361.490 0.431 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000493367224 489845747 /nfs/dbraw/zinc/84/57/47/489845747.db2.gz FJZFTFGLNXFWJX-SFHVURJKSA-N 3 2 361.490 0.431 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419085293 489850508 /nfs/dbraw/zinc/85/05/08/489850508.db2.gz VRVSBWFJLCVPIS-BBRMVZONSA-N 2 2 373.432 0.975 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000571062208 491283854 /nfs/dbraw/zinc/28/38/54/491283854.db2.gz OLQDJURKZDNGIU-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000571062208 491283857 /nfs/dbraw/zinc/28/38/57/491283857.db2.gz OLQDJURKZDNGIU-GFCCVEGCSA-N 2 2 361.368 0.807 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000419113466 489860882 /nfs/dbraw/zinc/86/08/82/489860882.db2.gz GYEWALRSWZFUTF-UHFFFAOYSA-N 2 2 359.474 0.885 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419119812 489864230 /nfs/dbraw/zinc/86/42/30/489864230.db2.gz PGLDYIPIMBCTJI-CVEARBPZSA-N 2 2 354.495 0.189 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419120109 489864247 /nfs/dbraw/zinc/86/42/47/489864247.db2.gz PRFUWOXNNLOOKK-SJORKVTESA-N 2 2 368.522 0.355 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419121056 489865023 /nfs/dbraw/zinc/86/50/23/489865023.db2.gz RMQQMTTWYGODFX-HLLBOEOZSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@H](C)[NH2+]1 ZINC000419120519 489865242 /nfs/dbraw/zinc/86/52/42/489865242.db2.gz QNIGIEUVQKPPAL-GJZGRUSLSA-N 2 2 359.474 0.897 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000419122360 489865907 /nfs/dbraw/zinc/86/59/07/489865907.db2.gz TVCNWQFBDCKGJF-CVEARBPZSA-N 2 2 356.511 0.291 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419121973 489866077 /nfs/dbraw/zinc/86/60/77/489866077.db2.gz SRFAIBURDDCFAR-HRCADAONSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122052 489866334 /nfs/dbraw/zinc/86/63/34/489866334.db2.gz SXUBDJOSRHJHJV-XHSDSOJGSA-N 2 2 354.495 0.093 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000433116331 489866570 /nfs/dbraw/zinc/86/65/70/489866570.db2.gz KQQNPMLGDQMFEF-GOSISDBHSA-N 3 2 370.563 0.514 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419123566 489867094 /nfs/dbraw/zinc/86/70/94/489867094.db2.gz HBVFHQFNSTZVMS-NVXWUHKLSA-N 2 2 369.469 0.847 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419123567 489867475 /nfs/dbraw/zinc/86/74/75/489867475.db2.gz HBVFHQFNSTZVMS-RDJZCZTQSA-N 2 2 369.469 0.847 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419124079 489868160 /nfs/dbraw/zinc/86/81/60/489868160.db2.gz ZAGPBTOCIMINLZ-QGZVFWFLSA-N 2 2 369.469 0.984 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419124819 489868259 /nfs/dbraw/zinc/86/82/59/489868259.db2.gz YDKGKJYPNKFGFG-NVXWUHKLSA-N 2 2 368.522 0.435 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@H](C[NH3+])C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000433150294 489868460 /nfs/dbraw/zinc/86/84/60/489868460.db2.gz LJZXCXSMELBFJW-XHSDSOJGSA-N 2 2 356.511 0.197 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000419995685 489876690 /nfs/dbraw/zinc/87/66/90/489876690.db2.gz IMSVGSHJDMPCGI-CABCVRRESA-N 2 2 362.474 0.581 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H](C)C1 ZINC000419995685 489876695 /nfs/dbraw/zinc/87/66/95/489876695.db2.gz IMSVGSHJDMPCGI-CABCVRRESA-N 2 2 362.474 0.581 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420003517 489878393 /nfs/dbraw/zinc/87/83/93/489878393.db2.gz SZESHUVZRWKJGT-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420003517 489878401 /nfs/dbraw/zinc/87/84/01/489878401.db2.gz SZESHUVZRWKJGT-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000420007828 489879513 /nfs/dbraw/zinc/87/95/13/489879513.db2.gz SWLDKUSRTFTISE-GJZGRUSLSA-N 2 2 362.474 0.754 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420026218 489885351 /nfs/dbraw/zinc/88/53/51/489885351.db2.gz ZXDAUMISLZTCQQ-USXIJHARSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420026218 489885355 /nfs/dbraw/zinc/88/53/55/489885355.db2.gz ZXDAUMISLZTCQQ-USXIJHARSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420033391 489886783 /nfs/dbraw/zinc/88/67/83/489886783.db2.gz AYJFDNAUXACDJT-HNNXBMFYSA-N 2 2 354.495 0.252 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420033391 489886786 /nfs/dbraw/zinc/88/67/86/489886786.db2.gz AYJFDNAUXACDJT-HNNXBMFYSA-N 2 2 354.495 0.252 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000476451888 489890234 /nfs/dbraw/zinc/89/02/34/489890234.db2.gz LNCOOESAAVUFGT-UHFFFAOYSA-N 2 2 351.451 0.546 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000476451888 489890237 /nfs/dbraw/zinc/89/02/37/489890237.db2.gz LNCOOESAAVUFGT-UHFFFAOYSA-N 2 2 351.451 0.546 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000494433696 489891645 /nfs/dbraw/zinc/89/16/45/489891645.db2.gz DSDIPGGNKJHMDD-MRXNPFEDSA-N 2 2 365.522 0.842 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000494433696 489891648 /nfs/dbraw/zinc/89/16/48/489891648.db2.gz DSDIPGGNKJHMDD-MRXNPFEDSA-N 2 2 365.522 0.842 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420059611 489898054 /nfs/dbraw/zinc/89/80/54/489898054.db2.gz GOECKDNSWGZNEM-HOTGVXAUSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420059611 489898058 /nfs/dbraw/zinc/89/80/58/489898058.db2.gz GOECKDNSWGZNEM-HOTGVXAUSA-N 2 2 374.489 0.143 20 0 FCADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)N1CCOCC1 ZINC000461290610 489901552 /nfs/dbraw/zinc/90/15/52/489901552.db2.gz IPVIKUHDXCBRAN-QGZVFWFLSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000433884855 489903915 /nfs/dbraw/zinc/90/39/15/489903915.db2.gz WRRBIJOFOXJRAK-OAHLLOKOSA-N 2 2 355.504 0.995 20 0 FCADLP C[C@@](O)(CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C[NH+]1CCOCC1 ZINC000434078094 489911418 /nfs/dbraw/zinc/91/14/18/489911418.db2.gz AWHNCKJVGSTPGF-CRAIPNDOSA-N 2 2 365.478 0.323 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420107692 489915018 /nfs/dbraw/zinc/91/50/18/489915018.db2.gz SYBUFOPPVVHJRW-UZLBHIALSA-N 2 2 373.501 0.793 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420110352 489915286 /nfs/dbraw/zinc/91/52/86/489915286.db2.gz FPVWIJWEOYAFID-RNHKPAHNSA-N 2 2 370.497 0.958 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000476939508 489926182 /nfs/dbraw/zinc/92/61/82/489926182.db2.gz LHCSCRQTPBGRKS-ZDUSSCGKSA-N 2 2 360.462 0.751 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000476939508 489926184 /nfs/dbraw/zinc/92/61/84/489926184.db2.gz LHCSCRQTPBGRKS-ZDUSSCGKSA-N 2 2 360.462 0.751 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000564084179 491287812 /nfs/dbraw/zinc/28/78/12/491287812.db2.gz ITJJYZNNYBCWKK-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP C[NH2+][C@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420144863 489929439 /nfs/dbraw/zinc/92/94/39/489929439.db2.gz NWJNZPQUSCHNRP-SECBINFHSA-N 2 2 368.235 0.437 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420147860 489930975 /nfs/dbraw/zinc/93/09/75/489930975.db2.gz DSNNCSNXFHVULG-UHFFFAOYSA-N 2 2 354.401 0.084 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661137 489938150 /nfs/dbraw/zinc/93/81/50/489938150.db2.gz CRQRMJRWOCRSLD-FUHWJXTLSA-N 3 2 351.539 0.249 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CC[NH+](C)CC1 ZINC000377661137 489938153 /nfs/dbraw/zinc/93/81/53/489938153.db2.gz CRQRMJRWOCRSLD-FUHWJXTLSA-N 3 2 351.539 0.249 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000477100849 489942501 /nfs/dbraw/zinc/94/25/01/489942501.db2.gz PCOYDVGPHNWHKI-OAHLLOKOSA-N 2 2 356.511 0.402 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000477100849 489942505 /nfs/dbraw/zinc/94/25/05/489942505.db2.gz PCOYDVGPHNWHKI-OAHLLOKOSA-N 2 2 356.511 0.402 20 0 FCADLP CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C[NH3+])C1CC1 ZINC000461900440 489944012 /nfs/dbraw/zinc/94/40/12/489944012.db2.gz LXNXHFLTWXYUFZ-IBGZPJMESA-N 2 2 360.502 0.804 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000420186955 489945403 /nfs/dbraw/zinc/94/54/03/489945403.db2.gz CVOZSXQGWOHARS-NXHRZFHOSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000420186955 489945404 /nfs/dbraw/zinc/94/54/04/489945404.db2.gz CVOZSXQGWOHARS-NXHRZFHOSA-N 2 2 358.486 0.963 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420188007 489946164 /nfs/dbraw/zinc/94/61/64/489946164.db2.gz MNBQXDSFYQBXGQ-GOSISDBHSA-N 2 2 374.485 0.134 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420199374 489949667 /nfs/dbraw/zinc/94/96/67/489949667.db2.gz DEFXZQFISUCBCE-KCYZZUKISA-N 2 2 358.442 0.566 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000462024601 489951078 /nfs/dbraw/zinc/95/10/78/489951078.db2.gz FHRFJJGWDCUWIP-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000420209986 489952769 /nfs/dbraw/zinc/95/27/69/489952769.db2.gz RVAFVVKDXPZBHZ-DLBZAZTESA-N 2 2 374.485 0.453 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000571183950 491290990 /nfs/dbraw/zinc/29/09/90/491290990.db2.gz KNFVWWHZJBLCRL-AWEZNQCLSA-N 2 2 365.503 0.568 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)nc2)CC1 ZINC000420237987 489956881 /nfs/dbraw/zinc/95/68/81/489956881.db2.gz MVSQYJGXSDQMFA-ZIAGYGMSSA-N 2 2 353.492 0.700 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000477371053 489960610 /nfs/dbraw/zinc/96/06/10/489960610.db2.gz FGACODZQKYXIBN-OAHLLOKOSA-N 2 2 356.492 0.320 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000477371051 489960861 /nfs/dbraw/zinc/96/08/61/489960861.db2.gz FGACODZQKYXIBN-HNNXBMFYSA-N 2 2 356.492 0.320 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000420313061 489962933 /nfs/dbraw/zinc/96/29/33/489962933.db2.gz TXVQPXZDGYMPQN-DRZSPHRISA-N 2 2 352.460 0.856 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000420313061 489962934 /nfs/dbraw/zinc/96/29/34/489962934.db2.gz TXVQPXZDGYMPQN-DRZSPHRISA-N 2 2 352.460 0.856 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000556063063 491291553 /nfs/dbraw/zinc/29/15/53/491291553.db2.gz HYQDAURGRXBOLP-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP Nc1nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc(Nc2ccc(F)cc2)n1 ZINC000420349976 489966636 /nfs/dbraw/zinc/96/66/36/489966636.db2.gz RBLKSJVNWXSUAK-HNNXBMFYSA-N 2 2 372.452 0.816 20 0 FCADLP Nc1nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc(Nc2ccc(F)cc2)n1 ZINC000420349976 489966638 /nfs/dbraw/zinc/96/66/38/489966638.db2.gz RBLKSJVNWXSUAK-HNNXBMFYSA-N 2 2 372.452 0.816 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000420353299 489966746 /nfs/dbraw/zinc/96/67/46/489966746.db2.gz AINQKEHRWLAFFA-FTGAXOIBSA-N 2 2 374.894 0.902 20 0 FCADLP CCCn1c(N)c(C(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(=O)[nH]c1=O ZINC000420361153 489967471 /nfs/dbraw/zinc/96/74/71/489967471.db2.gz HXAIHXBIRIKCDK-LBPRGKRZSA-N 2 2 351.451 0.621 20 0 FCADLP C[N@@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@@H](O)C[NH3+] ZINC000420355029 489967667 /nfs/dbraw/zinc/96/76/67/489967667.db2.gz PINAGORVKMNFKI-HNNXBMFYSA-N 2 2 363.458 0.595 20 0 FCADLP C[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C[C@@H](O)C[NH3+] ZINC000420355029 489967670 /nfs/dbraw/zinc/96/76/70/489967670.db2.gz PINAGORVKMNFKI-HNNXBMFYSA-N 2 2 363.458 0.595 20 0 FCADLP [NH3+]CCOCCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420365647 489968907 /nfs/dbraw/zinc/96/89/07/489968907.db2.gz FDFCPCHAYVXIOQ-IBGZPJMESA-N 2 2 360.502 0.771 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420383470 489969528 /nfs/dbraw/zinc/96/95/28/489969528.db2.gz QPYKCDHKYLZTHV-GJZGRUSLSA-N 2 2 362.474 0.975 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420383470 489969533 /nfs/dbraw/zinc/96/95/33/489969533.db2.gz QPYKCDHKYLZTHV-GJZGRUSLSA-N 2 2 362.474 0.975 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374766 489969904 /nfs/dbraw/zinc/96/99/04/489969904.db2.gz SJLIKEXXHAEMSI-QZTJIDSGSA-N 3 2 354.539 0.957 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000420374766 489969906 /nfs/dbraw/zinc/96/99/06/489969906.db2.gz SJLIKEXXHAEMSI-QZTJIDSGSA-N 3 2 354.539 0.957 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000420386938 489970582 /nfs/dbraw/zinc/97/05/82/489970582.db2.gz VJFCSUJPBJUAPA-VXGBXAGGSA-N 2 2 354.401 0.936 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000420386938 489970583 /nfs/dbraw/zinc/97/05/83/489970583.db2.gz VJFCSUJPBJUAPA-VXGBXAGGSA-N 2 2 354.401 0.936 20 0 FCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420393583 489971878 /nfs/dbraw/zinc/97/18/78/489971878.db2.gz XVVSTAGMSJDZAG-ZDUSSCGKSA-N 2 2 356.492 0.805 20 0 FCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420393583 489971884 /nfs/dbraw/zinc/97/18/84/489971884.db2.gz XVVSTAGMSJDZAG-ZDUSSCGKSA-N 2 2 356.492 0.805 20 0 FCADLP COC(=O)C[C@](C)([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000571202155 491292300 /nfs/dbraw/zinc/29/23/00/491292300.db2.gz XKAWOQLEEZXAEN-IBGZPJMESA-N 2 2 363.458 0.837 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000556084274 491293509 /nfs/dbraw/zinc/29/35/09/491293509.db2.gz VGWNSOUHUBYSCG-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000556084274 491293511 /nfs/dbraw/zinc/29/35/11/491293511.db2.gz VGWNSOUHUBYSCG-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000477647139 489981121 /nfs/dbraw/zinc/98/11/21/489981121.db2.gz RAMUYVYZDNSIHW-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206781 491293017 /nfs/dbraw/zinc/29/30/17/491293017.db2.gz XNTHXYIGGOCPFC-CVEARBPZSA-N 2 2 359.474 0.504 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206781 491293018 /nfs/dbraw/zinc/29/30/18/491293018.db2.gz XNTHXYIGGOCPFC-CVEARBPZSA-N 2 2 359.474 0.504 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435231971 489990633 /nfs/dbraw/zinc/99/06/33/489990633.db2.gz HOWJBGULHPFZFQ-CQSZACIVSA-N 2 2 352.460 0.489 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435231971 489990637 /nfs/dbraw/zinc/99/06/37/489990637.db2.gz HOWJBGULHPFZFQ-CQSZACIVSA-N 2 2 352.460 0.489 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000477935377 489997376 /nfs/dbraw/zinc/99/73/76/489997376.db2.gz JSYTZZQHEFJOTR-BEFAXECRSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000477995754 489999510 /nfs/dbraw/zinc/99/95/10/489999510.db2.gz VZQYHSIPDYONFT-JTDSTZFVSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000477995754 489999516 /nfs/dbraw/zinc/99/95/16/489999516.db2.gz VZQYHSIPDYONFT-JTDSTZFVSA-N 2 2 368.522 0.450 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000571150421 491288853 /nfs/dbraw/zinc/28/88/53/491288853.db2.gz GZKOPVXWLYZJDQ-HZPDHXFCSA-N 2 2 352.479 0.004 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478214861 490009905 /nfs/dbraw/zinc/00/99/05/490009905.db2.gz YKSIDJMSTJQTFL-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478214861 490009913 /nfs/dbraw/zinc/00/99/13/490009913.db2.gz YKSIDJMSTJQTFL-IXDOHACOSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478215491 490010374 /nfs/dbraw/zinc/01/03/74/490010374.db2.gz ZXEBPJVHPXVRDR-FGTMMUONSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCOCC1 ZINC000478215491 490010375 /nfs/dbraw/zinc/01/03/75/490010375.db2.gz ZXEBPJVHPXVRDR-FGTMMUONSA-N 2 2 370.538 0.830 20 0 FCADLP C[C@@H](O)c1cn(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000378146587 490017319 /nfs/dbraw/zinc/01/73/19/490017319.db2.gz GTDTYWMMUPPIEN-CYBMUJFWSA-N 2 2 350.467 0.006 20 0 FCADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](CO)O1 ZINC000420941180 490032986 /nfs/dbraw/zinc/03/29/86/490032986.db2.gz PDXSWCDYRZUTJI-MRXNPFEDSA-N 2 2 362.474 0.592 20 0 FCADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](CO)O1 ZINC000420941180 490032991 /nfs/dbraw/zinc/03/29/91/490032991.db2.gz PDXSWCDYRZUTJI-MRXNPFEDSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000556109542 491295330 /nfs/dbraw/zinc/29/53/30/491295330.db2.gz JISYKAXZAHJUHH-OAHLLOKOSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000556110950 491295361 /nfs/dbraw/zinc/29/53/61/491295361.db2.gz TTZYLMCGHOKJHL-DOTOQJQBSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000556110950 491295363 /nfs/dbraw/zinc/29/53/63/491295363.db2.gz TTZYLMCGHOKJHL-DOTOQJQBSA-N 2 2 366.506 0.014 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420979849 490038327 /nfs/dbraw/zinc/03/83/27/490038327.db2.gz KTJOESISGZCLGH-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420979849 490038331 /nfs/dbraw/zinc/03/83/31/490038331.db2.gz KTJOESISGZCLGH-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420979849 490038336 /nfs/dbraw/zinc/03/83/36/490038336.db2.gz KTJOESISGZCLGH-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420979849 490038340 /nfs/dbraw/zinc/03/83/40/490038340.db2.gz KTJOESISGZCLGH-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420979847 490038764 /nfs/dbraw/zinc/03/87/64/490038764.db2.gz KTJOESISGZCLGH-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420979847 490038766 /nfs/dbraw/zinc/03/87/66/490038766.db2.gz KTJOESISGZCLGH-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420979847 490038770 /nfs/dbraw/zinc/03/87/70/490038770.db2.gz KTJOESISGZCLGH-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420979847 490038773 /nfs/dbraw/zinc/03/87/73/490038773.db2.gz KTJOESISGZCLGH-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556111849 491295637 /nfs/dbraw/zinc/29/56/37/491295637.db2.gz RVFSYJYOEAQOAI-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000556111849 491295639 /nfs/dbraw/zinc/29/56/39/491295639.db2.gz RVFSYJYOEAQOAI-IXDOHACOSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[NH+]1CCSCC1 ZINC000478920876 490053988 /nfs/dbraw/zinc/05/39/88/490053988.db2.gz DXNXEVJJNDKQEB-HZPDHXFCSA-N 2 2 357.520 0.373 20 0 FCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793745 490067935 /nfs/dbraw/zinc/06/79/35/490067935.db2.gz TYWNYVAQUOKMRZ-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793745 490067942 /nfs/dbraw/zinc/06/79/42/490067942.db2.gz TYWNYVAQUOKMRZ-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793745 490067949 /nfs/dbraw/zinc/06/79/49/490067949.db2.gz TYWNYVAQUOKMRZ-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000464793745 490067953 /nfs/dbraw/zinc/06/79/53/490067953.db2.gz TYWNYVAQUOKMRZ-MRXNPFEDSA-N 2 2 362.474 0.838 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCCCSC)CC2)CC1 ZINC000421334294 490076550 /nfs/dbraw/zinc/07/65/50/490076550.db2.gz IODIJTPFFPEENA-UHFFFAOYSA-N 2 2 370.563 0.874 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCCCSC)CC2)CC1 ZINC000421334294 490076557 /nfs/dbraw/zinc/07/65/57/490076557.db2.gz IODIJTPFFPEENA-UHFFFAOYSA-N 2 2 370.563 0.874 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1cccc(Cl)c1 ZINC000495462064 490078552 /nfs/dbraw/zinc/07/85/52/490078552.db2.gz GFCRXXVHLZLZKW-INIZCTEOSA-N 2 2 352.866 0.881 20 0 FCADLP C[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)c1cccc(Cl)c1 ZINC000495462064 490078557 /nfs/dbraw/zinc/07/85/57/490078557.db2.gz GFCRXXVHLZLZKW-INIZCTEOSA-N 2 2 352.866 0.881 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000444179655 490079424 /nfs/dbraw/zinc/07/94/24/490079424.db2.gz DGMJFNUIXLMHDC-KDOFPFPSSA-N 2 2 365.478 0.686 20 0 FCADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000378532484 490081811 /nfs/dbraw/zinc/08/18/11/490081811.db2.gz YENBUMYBFNKNNS-HUUCEWRRSA-N 2 2 355.479 0.629 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000495549063 490083254 /nfs/dbraw/zinc/08/32/54/490083254.db2.gz UGBIURKYJSUWOM-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000495549063 490083257 /nfs/dbraw/zinc/08/32/57/490083257.db2.gz UGBIURKYJSUWOM-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP COCC[NH+]1CCC([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000545197819 490097368 /nfs/dbraw/zinc/09/73/68/490097368.db2.gz GQWXXUMEVKZAAO-MRXNPFEDSA-N 2 2 363.524 0.175 20 0 FCADLP C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000465358305 490111568 /nfs/dbraw/zinc/11/15/68/490111568.db2.gz MFIGWIFPXABZKM-KRWDZBQOSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000479757282 490122934 /nfs/dbraw/zinc/12/29/34/490122934.db2.gz SRDVFGGBTAKFDY-OSRDXIQISA-N 2 2 366.487 0.051 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000479757282 490122942 /nfs/dbraw/zinc/12/29/42/490122942.db2.gz SRDVFGGBTAKFDY-OSRDXIQISA-N 2 2 366.487 0.051 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000479777396 490124937 /nfs/dbraw/zinc/12/49/37/490124937.db2.gz IMLDLXDQYYABOT-CALCHBBNSA-N 2 2 362.518 0.825 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000479777396 490124938 /nfs/dbraw/zinc/12/49/38/490124938.db2.gz IMLDLXDQYYABOT-CALCHBBNSA-N 2 2 362.518 0.825 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)O3)CC2)CC1 ZINC000422022682 490128228 /nfs/dbraw/zinc/12/82/28/490128228.db2.gz PGDKZLFSBHMXTL-DLBZAZTESA-N 2 2 367.490 0.726 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)O3)CC2)CC1 ZINC000422022682 490128237 /nfs/dbraw/zinc/12/82/37/490128237.db2.gz PGDKZLFSBHMXTL-DLBZAZTESA-N 2 2 367.490 0.726 20 0 FCADLP CC[N@H+](C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000520365651 490137755 /nfs/dbraw/zinc/13/77/55/490137755.db2.gz XARQVJVZONIFDD-SFHVURJKSA-N 2 2 362.474 0.244 20 0 FCADLP CC[N@@H+](C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000520365651 490137759 /nfs/dbraw/zinc/13/77/59/490137759.db2.gz XARQVJVZONIFDD-SFHVURJKSA-N 2 2 362.474 0.244 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000571350588 491302335 /nfs/dbraw/zinc/30/23/35/491302335.db2.gz WYVDAUDRSKNHAF-IXDOHACOSA-N 2 2 362.474 0.902 20 0 FCADLP COC[C@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000446054957 490150285 /nfs/dbraw/zinc/15/02/85/490150285.db2.gz QMRICJJKXYPYCN-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000520446603 490150187 /nfs/dbraw/zinc/15/01/87/490150187.db2.gz LDWWVPVGANUJFX-JYYAWHABSA-N 2 2 374.489 0.818 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000520446603 490150197 /nfs/dbraw/zinc/15/01/97/490150197.db2.gz LDWWVPVGANUJFX-JYYAWHABSA-N 2 2 374.489 0.818 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3nc(C4CC4)no3)C2)CC1 ZINC000532986588 490151825 /nfs/dbraw/zinc/15/18/25/490151825.db2.gz DURBIOWWHDNPFY-HNNXBMFYSA-N 2 2 362.478 0.408 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3nc(C4CC4)no3)C2)CC1 ZINC000532986588 490151832 /nfs/dbraw/zinc/15/18/32/490151832.db2.gz DURBIOWWHDNPFY-HNNXBMFYSA-N 2 2 362.478 0.408 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000422102021 490153843 /nfs/dbraw/zinc/15/38/43/490153843.db2.gz FIQFFSDHKGLKRZ-CVEARBPZSA-N 2 2 361.490 0.754 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000422102021 490153850 /nfs/dbraw/zinc/15/38/50/490153850.db2.gz FIQFFSDHKGLKRZ-CVEARBPZSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000571360170 491303301 /nfs/dbraw/zinc/30/33/01/491303301.db2.gz RCPLJOCYXACJLF-INIZCTEOSA-N 2 2 356.511 0.258 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000571360170 491303303 /nfs/dbraw/zinc/30/33/03/491303303.db2.gz RCPLJOCYXACJLF-INIZCTEOSA-N 2 2 356.511 0.258 20 0 FCADLP CN1CCN(c2cc(N3CCC(OCC[NH+](C)C)CC3)[nH+]cn2)CC1=O ZINC000480123393 490165044 /nfs/dbraw/zinc/16/50/44/490165044.db2.gz SXGOKNIRYRBTAC-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CN1CCN(c2cc(N3CCC(OCC[NH+](C)C)CC3)nc[nH+]2)CC1=O ZINC000480123393 490165052 /nfs/dbraw/zinc/16/50/52/490165052.db2.gz SXGOKNIRYRBTAC-UHFFFAOYSA-N 2 2 362.478 0.302 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c[nH+]1 ZINC000507224407 490189741 /nfs/dbraw/zinc/18/97/41/490189741.db2.gz PYZJJMOCWPBOMS-UHFFFAOYSA-N 2 2 365.397 0.983 20 0 FCADLP COC(=O)CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000497726793 490205325 /nfs/dbraw/zinc/20/53/25/490205325.db2.gz FOKVSDOLIZGLHR-UHFFFAOYSA-N 2 2 355.479 0.489 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000556274590 491307773 /nfs/dbraw/zinc/30/77/73/491307773.db2.gz YPNJZQUQTNGZHU-NVXWUHKLSA-N 2 2 373.501 0.821 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000556274590 491307774 /nfs/dbraw/zinc/30/77/74/491307774.db2.gz YPNJZQUQTNGZHU-NVXWUHKLSA-N 2 2 373.501 0.821 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)cc[nH+]1 ZINC000546569166 490220179 /nfs/dbraw/zinc/22/01/79/490220179.db2.gz BJNVOEUAXSMHKO-IBGZPJMESA-N 2 2 355.442 1.194 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)cc[nH+]1 ZINC000546569166 490220185 /nfs/dbraw/zinc/22/01/85/490220185.db2.gz BJNVOEUAXSMHKO-IBGZPJMESA-N 2 2 355.442 1.194 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000556310623 491308865 /nfs/dbraw/zinc/30/88/65/491308865.db2.gz XDQDHVFNPWJTLO-OAHLLOKOSA-N 2 2 356.430 0.440 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000556313163 491309132 /nfs/dbraw/zinc/30/91/32/491309132.db2.gz ITOQRHLDAKHBIQ-GDBMZVCRSA-N 2 2 373.457 0.816 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@H](C)CCOC)CC2)CC1 ZINC000422287544 490231459 /nfs/dbraw/zinc/23/14/59/490231459.db2.gz QINDWQDFVKOWBL-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@H](C)CCOC)CC2)CC1 ZINC000422287544 490231467 /nfs/dbraw/zinc/23/14/67/490231467.db2.gz QINDWQDFVKOWBL-MRXNPFEDSA-N 2 2 368.522 0.546 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000521174261 490232210 /nfs/dbraw/zinc/23/22/10/490232210.db2.gz ZJQZTANWWXLHCP-GOSISDBHSA-N 2 2 356.474 0.976 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000521174261 490232213 /nfs/dbraw/zinc/23/22/13/490232213.db2.gz ZJQZTANWWXLHCP-GOSISDBHSA-N 2 2 356.474 0.976 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954363 490232544 /nfs/dbraw/zinc/23/25/44/490232544.db2.gz MAKNNKRYCSJLEC-LSDHHAIUSA-N 2 2 360.462 0.122 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954363 490232548 /nfs/dbraw/zinc/23/25/48/490232548.db2.gz MAKNNKRYCSJLEC-LSDHHAIUSA-N 2 2 360.462 0.122 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1CCO ZINC000571497955 491311604 /nfs/dbraw/zinc/31/16/04/491311604.db2.gz TWSDWSYJEYOLQE-WSTZPKSXSA-N 2 2 374.529 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000571497955 491311606 /nfs/dbraw/zinc/31/16/06/491311606.db2.gz TWSDWSYJEYOLQE-WSTZPKSXSA-N 2 2 374.529 0.889 20 0 FCADLP CCn1cc(C[N@H+](CCO)CC(=O)NC2CC[NH+](C(C)C)CC2)cn1 ZINC000482871991 490257428 /nfs/dbraw/zinc/25/74/28/490257428.db2.gz ZZSKAKVJYYAGIQ-UHFFFAOYSA-N 2 2 351.495 0.686 20 0 FCADLP CCn1cc(C[N@@H+](CCO)CC(=O)NC2CC[NH+](C(C)C)CC2)cn1 ZINC000482871991 490257436 /nfs/dbraw/zinc/25/74/36/490257436.db2.gz ZZSKAKVJYYAGIQ-UHFFFAOYSA-N 2 2 351.495 0.686 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000498199777 490269594 /nfs/dbraw/zinc/26/95/94/490269594.db2.gz DJUGSUNGHAPUPK-HIFRSBDPSA-N 2 2 357.401 0.553 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@]4(CC[NH2+]C4)C3)nc2)CC1 ZINC000564554112 491313525 /nfs/dbraw/zinc/31/35/25/491313525.db2.gz BAJODIQYJFXNDA-KRWDZBQOSA-N 2 2 365.503 0.208 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346096 490280975 /nfs/dbraw/zinc/28/09/75/490280975.db2.gz VFVCEIALZYMXNI-RYQLBKOJSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547346096 490280977 /nfs/dbraw/zinc/28/09/77/490280977.db2.gz VFVCEIALZYMXNI-RYQLBKOJSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000547346096 490280981 /nfs/dbraw/zinc/28/09/81/490280981.db2.gz VFVCEIALZYMXNI-RYQLBKOJSA-N 2 2 373.501 0.769 20 0 FCADLP CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000547346096 490280986 /nfs/dbraw/zinc/28/09/86/490280986.db2.gz VFVCEIALZYMXNI-RYQLBKOJSA-N 2 2 373.501 0.769 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498383968 490290266 /nfs/dbraw/zinc/29/02/66/490290266.db2.gz CODXFEKDGNRSRB-SJORKVTESA-N 2 2 361.490 0.429 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000498383968 490290275 /nfs/dbraw/zinc/29/02/75/490290275.db2.gz CODXFEKDGNRSRB-SJORKVTESA-N 2 2 361.490 0.429 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)[C@H]3CCCO3)CC2)CC1 ZINC000447983762 490307191 /nfs/dbraw/zinc/30/71/91/490307191.db2.gz UCBXXOFLZLPPPL-IAGOWNOFSA-N 2 2 354.495 0.384 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000508204645 490308376 /nfs/dbraw/zinc/30/83/76/490308376.db2.gz MKPIOBTUSTYDHC-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP CCN1CC[NH+](CCC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000508204645 490308382 /nfs/dbraw/zinc/30/83/82/490308382.db2.gz MKPIOBTUSTYDHC-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000521925899 490312331 /nfs/dbraw/zinc/31/23/31/490312331.db2.gz NNSGQAKMZUHHIR-CQSZACIVSA-N 2 2 366.487 0.513 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000521925899 490312334 /nfs/dbraw/zinc/31/23/34/490312334.db2.gz NNSGQAKMZUHHIR-CQSZACIVSA-N 2 2 366.487 0.513 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cccc(C(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000521994891 490323092 /nfs/dbraw/zinc/32/30/92/490323092.db2.gz ITZMXVAHIJEGSE-MDZRGWNJSA-N 2 2 363.502 0.991 20 0 FCADLP O=C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556517381 491318011 /nfs/dbraw/zinc/31/80/11/491318011.db2.gz BDQCSYSMYPDDJB-WIYYLYMNSA-N 2 2 370.497 0.978 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000564655700 491318340 /nfs/dbraw/zinc/31/83/40/491318340.db2.gz KMJBBIYCLJIIEK-MSOLQXFVSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000564655700 491318342 /nfs/dbraw/zinc/31/83/42/491318342.db2.gz KMJBBIYCLJIIEK-MSOLQXFVSA-N 2 2 358.486 0.569 20 0 FCADLP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])c3cscn3)cn2)CC1 ZINC000564653307 491318443 /nfs/dbraw/zinc/31/84/43/491318443.db2.gz CEOAXDREHRGHBT-INIZCTEOSA-N 2 2 360.487 0.996 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483740705 490342960 /nfs/dbraw/zinc/34/29/60/490342960.db2.gz GJVBCPPMJIUHNY-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483740705 490342970 /nfs/dbraw/zinc/34/29/70/490342970.db2.gz GJVBCPPMJIUHNY-INIZCTEOSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483753301 490343020 /nfs/dbraw/zinc/34/30/20/490343020.db2.gz YZTOFMPXPUEWAM-QGZVFWFLSA-N 2 2 369.554 0.765 20 0 FCADLP CN1C(=O)C[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118142 490343356 /nfs/dbraw/zinc/34/33/56/490343356.db2.gz VBPUROSNSRAPPH-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP CN1C(=O)C[C@H]([N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1=O ZINC000522118142 490343364 /nfs/dbraw/zinc/34/33/64/490343364.db2.gz VBPUROSNSRAPPH-SJORKVTESA-N 2 2 371.485 0.673 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498870869 490359585 /nfs/dbraw/zinc/35/95/85/490359585.db2.gz AASVDTRYFIFGRY-IXDOHACOSA-N 2 2 361.552 0.995 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498870869 490359590 /nfs/dbraw/zinc/35/95/90/490359590.db2.gz AASVDTRYFIFGRY-IXDOHACOSA-N 2 2 361.552 0.995 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000498953893 490370900 /nfs/dbraw/zinc/37/09/00/490370900.db2.gz XUMFUUHMRDWCQW-UHFFFAOYSA-N 2 2 357.458 0.498 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000498953893 490370905 /nfs/dbraw/zinc/37/09/05/490370905.db2.gz XUMFUUHMRDWCQW-UHFFFAOYSA-N 2 2 357.458 0.498 20 0 FCADLP CC[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000448684955 490373100 /nfs/dbraw/zinc/37/31/00/490373100.db2.gz RNLZMKGTGWFGHQ-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000448684955 490373108 /nfs/dbraw/zinc/37/31/08/490373108.db2.gz RNLZMKGTGWFGHQ-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000410880572 490374109 /nfs/dbraw/zinc/37/41/09/490374109.db2.gz YBJYVAQRUHWAKQ-IRXDYDNUSA-N 2 2 361.490 0.981 20 0 FCADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000410880572 490374121 /nfs/dbraw/zinc/37/41/21/490374121.db2.gz YBJYVAQRUHWAKQ-IRXDYDNUSA-N 2 2 361.490 0.981 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1C ZINC000498966766 490374340 /nfs/dbraw/zinc/37/43/40/490374340.db2.gz FKOMTHUODDTRIO-ZWKOTPCHSA-N 2 2 369.554 0.501 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1C ZINC000498966766 490374346 /nfs/dbraw/zinc/37/43/46/490374346.db2.gz FKOMTHUODDTRIO-ZWKOTPCHSA-N 2 2 369.554 0.501 20 0 FCADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCn3cc[nH+]c3C)CC2)cs1 ZINC000499056611 490383572 /nfs/dbraw/zinc/38/35/72/490383572.db2.gz RAAVSYJFYLHSFU-UHFFFAOYSA-N 2 2 355.489 0.963 20 0 FCADLP CSc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000411159918 490397252 /nfs/dbraw/zinc/39/72/52/490397252.db2.gz AHVFBVIETKJDRG-HNNXBMFYSA-N 2 2 367.515 0.854 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547982563 490401250 /nfs/dbraw/zinc/40/12/50/490401250.db2.gz FTEJHALBGLSWRK-INIZCTEOSA-N 2 2 354.458 0.921 20 0 FCADLP COc1cc(F)cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000449226268 490405727 /nfs/dbraw/zinc/40/57/27/490405727.db2.gz QKOVZPGDBLXSNN-INIZCTEOSA-N 2 2 351.422 0.857 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CC34CC4)CC2)CC1 ZINC000422573841 490409379 /nfs/dbraw/zinc/40/93/79/490409379.db2.gz POCAMWMOBXVICB-INIZCTEOSA-N 2 2 362.518 0.921 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CC34CC4)CC2)CC1 ZINC000422573841 490409386 /nfs/dbraw/zinc/40/93/86/490409386.db2.gz POCAMWMOBXVICB-INIZCTEOSA-N 2 2 362.518 0.921 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548061634 490413817 /nfs/dbraw/zinc/41/38/17/490413817.db2.gz JYPINUMXLNTTCG-UHFFFAOYSA-N 2 2 355.446 0.276 20 0 FCADLP CN(C(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1)C1CCCCC1 ZINC000564758458 491324886 /nfs/dbraw/zinc/32/48/86/491324886.db2.gz DXFYXZYIFCUXGF-IBGZPJMESA-N 2 2 366.550 0.850 20 0 FCADLP CN(C(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1)C1CCCCC1 ZINC000564758458 491324888 /nfs/dbraw/zinc/32/48/88/491324888.db2.gz DXFYXZYIFCUXGF-IBGZPJMESA-N 2 2 366.550 0.850 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723287 491325100 /nfs/dbraw/zinc/32/51/00/491325100.db2.gz FJYCDODNBZZQOC-MRXNPFEDSA-N 2 2 355.504 0.835 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723287 491325103 /nfs/dbraw/zinc/32/51/03/491325103.db2.gz FJYCDODNBZZQOC-MRXNPFEDSA-N 2 2 355.504 0.835 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000571723287 491325105 /nfs/dbraw/zinc/32/51/05/491325105.db2.gz FJYCDODNBZZQOC-MRXNPFEDSA-N 2 2 355.504 0.835 20 0 FCADLP CC1CCC(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000509367558 490420769 /nfs/dbraw/zinc/42/07/69/490420769.db2.gz UYNTXIMGEOEDNU-UHFFFAOYSA-N 2 2 358.552 0.923 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000571720436 491325240 /nfs/dbraw/zinc/32/52/40/491325240.db2.gz ZUUNHLGIAOUNIY-UHFFFAOYSA-N 2 2 366.506 0.795 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000422626417 490432463 /nfs/dbraw/zinc/43/24/63/490432463.db2.gz JXOOZIUDPVUADO-RYTJFDOTSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000422626417 490432470 /nfs/dbraw/zinc/43/24/70/490432470.db2.gz JXOOZIUDPVUADO-RYTJFDOTSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]1 ZINC000571744547 491326010 /nfs/dbraw/zinc/32/60/10/491326010.db2.gz VOGSXPQHKZBECS-HOCLYGCPSA-N 2 2 351.495 0.370 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422631166 490434384 /nfs/dbraw/zinc/43/43/84/490434384.db2.gz FCYSPYRGDSHZAF-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422631166 490434390 /nfs/dbraw/zinc/43/43/90/490434390.db2.gz FCYSPYRGDSHZAF-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000422632992 490434455 /nfs/dbraw/zinc/43/44/55/490434455.db2.gz HQGXPLWIRNAHPX-UHFFFAOYSA-N 2 2 359.474 0.719 20 0 FCADLP C[NH+]1CCN(c2cccc(C(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2)CC1 ZINC000556673340 491326570 /nfs/dbraw/zinc/32/65/70/491326570.db2.gz CFBNAJRBUAKLLY-IYBDPMFKSA-N 2 2 359.474 0.426 20 0 FCADLP C[NH+]1CCN(c2cccc(C(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2)CC1 ZINC000556673340 491326572 /nfs/dbraw/zinc/32/65/72/491326572.db2.gz CFBNAJRBUAKLLY-IYBDPMFKSA-N 2 2 359.474 0.426 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000509718473 490455130 /nfs/dbraw/zinc/45/51/30/490455130.db2.gz YGTDTOLTDQDHAL-CVEARBPZSA-N 2 2 365.478 0.377 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000509718473 490455133 /nfs/dbraw/zinc/45/51/33/490455133.db2.gz YGTDTOLTDQDHAL-CVEARBPZSA-N 2 2 365.478 0.377 20 0 FCADLP CO[C@H]1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H](C[NH3+])C1 ZINC000564802221 491327791 /nfs/dbraw/zinc/32/77/91/491327791.db2.gz KCAALVDFSHOBSD-HOTGVXAUSA-N 2 2 366.531 0.830 20 0 FCADLP CNc1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]c2ccccc21 ZINC000450312986 490459860 /nfs/dbraw/zinc/45/98/60/490459860.db2.gz JNSGYMFWOCTKOQ-UHFFFAOYSA-N 2 2 354.458 1.416 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509793632 490466045 /nfs/dbraw/zinc/46/60/45/490466045.db2.gz XGGYONJBILVDAR-CVEARBPZSA-N 2 2 374.489 0.547 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000509793632 490466054 /nfs/dbraw/zinc/46/60/54/490466054.db2.gz XGGYONJBILVDAR-CVEARBPZSA-N 2 2 374.489 0.547 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000535263582 490470802 /nfs/dbraw/zinc/47/08/02/490470802.db2.gz AEBPHIBVNYPUNS-JKSUJKDBSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000535263582 490470807 /nfs/dbraw/zinc/47/08/07/490470807.db2.gz AEBPHIBVNYPUNS-JKSUJKDBSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000422759571 490472206 /nfs/dbraw/zinc/47/22/06/490472206.db2.gz LAIYDXPMHVOERY-HUUCEWRRSA-N 3 2 354.520 0.838 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000564827758 491329003 /nfs/dbraw/zinc/32/90/03/491329003.db2.gz BZRBEVGIGAZSKT-PBHICJAKSA-N 2 2 352.504 0.781 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000564827766 491329157 /nfs/dbraw/zinc/32/91/57/491329157.db2.gz BZRBEVGIGAZSKT-WMLDXEAASA-N 2 2 352.504 0.781 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484888853 490475725 /nfs/dbraw/zinc/47/57/25/490475725.db2.gz BENGBUAOWMPNOK-MHORFTMASA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484888853 490475732 /nfs/dbraw/zinc/47/57/32/490475732.db2.gz BENGBUAOWMPNOK-MHORFTMASA-N 3 2 352.523 0.676 20 0 FCADLP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484888853 490475740 /nfs/dbraw/zinc/47/57/40/490475740.db2.gz BENGBUAOWMPNOK-MHORFTMASA-N 2 2 352.523 0.676 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484907601 490477852 /nfs/dbraw/zinc/47/78/52/490477852.db2.gz PVPGBRBXNBQXMT-KBPBESRZSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484907601 490477860 /nfs/dbraw/zinc/47/78/60/490477860.db2.gz PVPGBRBXNBQXMT-KBPBESRZSA-N 2 2 352.504 0.882 20 0 FCADLP C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000535430474 490489740 /nfs/dbraw/zinc/48/97/40/490489740.db2.gz ITUDDXCEGPQZHI-MRXNPFEDSA-N 3 2 355.527 0.280 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209604 490499198 /nfs/dbraw/zinc/49/91/98/490499198.db2.gz OAKLBSMGIKQGBI-BHYGNILZSA-N 2 2 357.458 1.317 20 0 FCADLP C[C@H](O)CNc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413209604 490499204 /nfs/dbraw/zinc/49/92/04/490499204.db2.gz OAKLBSMGIKQGBI-BHYGNILZSA-N 2 2 357.458 1.317 20 0 FCADLP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856168 491331854 /nfs/dbraw/zinc/33/18/54/491331854.db2.gz VZHFUDKWIZBNJJ-NCXUSEDFSA-N 3 2 356.555 0.318 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535636517 490509438 /nfs/dbraw/zinc/50/94/38/490509438.db2.gz ZZQTVPJZCPZWOK-CVEARBPZSA-N 2 2 353.511 0.711 20 0 FCADLP CNC(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535636517 490509442 /nfs/dbraw/zinc/50/94/42/490509442.db2.gz ZZQTVPJZCPZWOK-CVEARBPZSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423012709 490518633 /nfs/dbraw/zinc/51/86/33/490518633.db2.gz DPANFMAKHJVIAL-LSDHHAIUSA-N 2 2 364.515 0.978 20 0 FCADLP CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474551 490521891 /nfs/dbraw/zinc/52/18/91/490521891.db2.gz SLXZGAPYIFVSQH-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474551 490521899 /nfs/dbraw/zinc/52/18/99/490521899.db2.gz SLXZGAPYIFVSQH-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000500474551 490521904 /nfs/dbraw/zinc/52/19/04/490521904.db2.gz SLXZGAPYIFVSQH-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000500474551 490521910 /nfs/dbraw/zinc/52/19/10/490521910.db2.gz SLXZGAPYIFVSQH-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000423025391 490522606 /nfs/dbraw/zinc/52/26/06/490522606.db2.gz LRBADIKGYDSGRS-WDSOQIARSA-N 3 2 362.518 0.632 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000423030276 490524110 /nfs/dbraw/zinc/52/41/10/490524110.db2.gz VYDRDCBGVMGTRW-CALCHBBNSA-N 2 2 374.485 0.418 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423029367 490524611 /nfs/dbraw/zinc/52/46/11/490524611.db2.gz UUWYCTWZRDZUCY-KRWDZBQOSA-N 2 2 374.485 0.420 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000423035130 490525929 /nfs/dbraw/zinc/52/59/29/490525929.db2.gz IXUFHRFHILGQHO-UHFFFAOYSA-N 2 2 358.486 0.584 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000423036398 490526087 /nfs/dbraw/zinc/52/60/87/490526087.db2.gz TYZLZWRYRMUFPY-HNNXBMFYSA-N 2 2 374.489 0.377 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000423039522 490527249 /nfs/dbraw/zinc/52/72/49/490527249.db2.gz QPVNQRAYLGUHPJ-CRAIPNDOSA-N 2 2 374.485 0.535 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)[nH+]c1 ZINC000485467434 490532087 /nfs/dbraw/zinc/53/20/87/490532087.db2.gz IUGMAEAGSIRJSU-UHFFFAOYSA-N 2 2 359.474 0.685 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)[nH+]c1 ZINC000485467434 490532091 /nfs/dbraw/zinc/53/20/91/490532091.db2.gz IUGMAEAGSIRJSU-UHFFFAOYSA-N 2 2 359.474 0.685 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1CCOC ZINC000500685083 490543022 /nfs/dbraw/zinc/54/30/22/490543022.db2.gz ZGKVSCIMRKEONO-SJORKVTESA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1CCOC ZINC000500685083 490543027 /nfs/dbraw/zinc/54/30/27/490543027.db2.gz ZGKVSCIMRKEONO-SJORKVTESA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685083 490543030 /nfs/dbraw/zinc/54/30/30/490543030.db2.gz ZGKVSCIMRKEONO-SJORKVTESA-N 2 2 355.527 0.375 20 0 FCADLP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1CCOC ZINC000500685083 490543034 /nfs/dbraw/zinc/54/30/34/490543034.db2.gz ZGKVSCIMRKEONO-SJORKVTESA-N 2 2 355.527 0.375 20 0 FCADLP O=C(CC[NH+]1CCC(OCCO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000536005489 490546016 /nfs/dbraw/zinc/54/60/16/490546016.db2.gz ZPIJYBURWXYWLY-UHFFFAOYSA-N 2 2 362.474 0.594 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@@H]2CCCCN12 ZINC000511017336 490555151 /nfs/dbraw/zinc/55/51/51/490555151.db2.gz ZJXWHIXJKUHQCG-MSOLQXFVSA-N 2 2 350.507 0.526 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@@H]2CCCCN12 ZINC000511017336 490555155 /nfs/dbraw/zinc/55/51/55/490555155.db2.gz ZJXWHIXJKUHQCG-MSOLQXFVSA-N 2 2 350.507 0.526 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556776064 491335764 /nfs/dbraw/zinc/33/57/64/491335764.db2.gz ZXNJUNABBCUJSM-KRWDZBQOSA-N 2 2 355.442 0.959 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556776064 491335766 /nfs/dbraw/zinc/33/57/66/491335766.db2.gz ZXNJUNABBCUJSM-KRWDZBQOSA-N 2 2 355.442 0.959 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](O)COc2ccccc2)CC1 ZINC000536229743 490562474 /nfs/dbraw/zinc/56/24/74/490562474.db2.gz ZXRHTJSLZWYQBY-KRWDZBQOSA-N 2 2 364.490 0.752 20 0 FCADLP C[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](CCO)CC2)CC1 ZINC000485844197 490563202 /nfs/dbraw/zinc/56/32/02/490563202.db2.gz LPWKVOMTRQDNIK-UHFFFAOYSA-N 2 2 356.474 0.496 20 0 FCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCN3CCO[C@@H](C)C3)CC2(C)C)CCO1 ZINC000501013602 490568595 /nfs/dbraw/zinc/56/85/95/490568595.db2.gz FWIJNUUDHNVVBK-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCN3CCO[C@@H](C)C3)CC2(C)C)CCO1 ZINC000501013602 490568602 /nfs/dbraw/zinc/56/86/02/490568602.db2.gz FWIJNUUDHNVVBK-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCN3CCO[C@@H](C)C3)CC2(C)C)CCO1 ZINC000501013602 490568606 /nfs/dbraw/zinc/56/86/06/490568606.db2.gz FWIJNUUDHNVVBK-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCN3CCO[C@@H](C)C3)CC2(C)C)CCO1 ZINC000501013602 490568610 /nfs/dbraw/zinc/56/86/10/490568610.db2.gz FWIJNUUDHNVVBK-RBUKOAKNSA-N 2 2 368.566 0.824 20 0 FCADLP Cn1cc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC000525181568 490582468 /nfs/dbraw/zinc/58/24/68/490582468.db2.gz MXTSFIULDYDBPX-UHFFFAOYSA-N 2 2 358.446 0.766 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486019465 490583351 /nfs/dbraw/zinc/58/33/51/490583351.db2.gz RWEVTMUUYJSZOF-GOSISDBHSA-N 3 2 354.458 0.972 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486019465 490583354 /nfs/dbraw/zinc/58/33/54/490583354.db2.gz RWEVTMUUYJSZOF-GOSISDBHSA-N 3 2 354.458 0.972 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000486019465 490583362 /nfs/dbraw/zinc/58/33/62/490583362.db2.gz RWEVTMUUYJSZOF-GOSISDBHSA-N 2 2 354.458 0.972 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000486019465 490583367 /nfs/dbraw/zinc/58/33/67/490583367.db2.gz RWEVTMUUYJSZOF-GOSISDBHSA-N 2 2 354.458 0.972 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000486058205 490587516 /nfs/dbraw/zinc/58/75/16/490587516.db2.gz ZXGPTIBFWOSONJ-CQSZACIVSA-N 2 2 358.471 0.996 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000486058205 490587521 /nfs/dbraw/zinc/58/75/21/490587521.db2.gz ZXGPTIBFWOSONJ-CQSZACIVSA-N 2 2 358.471 0.996 20 0 FCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000536531281 490587534 /nfs/dbraw/zinc/58/75/34/490587534.db2.gz DHJKWHLSHDNCPL-GOSISDBHSA-N 2 2 368.485 0.368 20 0 FCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000536531281 490587542 /nfs/dbraw/zinc/58/75/42/490587542.db2.gz DHJKWHLSHDNCPL-GOSISDBHSA-N 2 2 368.485 0.368 20 0 FCADLP CC[C@@H](C(=O)OC)N1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000511604603 490606894 /nfs/dbraw/zinc/60/68/94/490606894.db2.gz GPZMTPLZAPGOTJ-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501496125 490608224 /nfs/dbraw/zinc/60/82/24/490608224.db2.gz LYVCOINXCPODRB-KBPBESRZSA-N 2 2 363.549 0.001 20 0 FCADLP C[NH+](C)CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000501496125 490608229 /nfs/dbraw/zinc/60/82/29/490608229.db2.gz LYVCOINXCPODRB-KBPBESRZSA-N 2 2 363.549 0.001 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000564952814 491339967 /nfs/dbraw/zinc/33/99/67/491339967.db2.gz OWDXBEOCAFROQL-AWEZNQCLSA-N 2 2 363.462 0.473 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCC1 ZINC000550003063 490619704 /nfs/dbraw/zinc/61/97/04/490619704.db2.gz LZLXXPRYYFKTOF-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CCC[C@@H]1CN(C(=O)CC[NH+]2CCN(CC)CC2)CC[N@@H+]1CCOC ZINC000501607181 490622496 /nfs/dbraw/zinc/62/24/96/490622496.db2.gz ZQWMGVYQPMJKIJ-GOSISDBHSA-N 2 2 354.539 0.973 20 0 FCADLP CCC[C@@H]1CN(C(=O)CC[NH+]2CCN(CC)CC2)CC[N@H+]1CCOC ZINC000501607181 490622501 /nfs/dbraw/zinc/62/25/01/490622501.db2.gz ZQWMGVYQPMJKIJ-GOSISDBHSA-N 2 2 354.539 0.973 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083150 490623251 /nfs/dbraw/zinc/62/32/51/490623251.db2.gz URNKKCBWABVTRL-WBVHZDCISA-N 2 2 355.442 0.951 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083150 490623254 /nfs/dbraw/zinc/62/32/54/490623254.db2.gz URNKKCBWABVTRL-WBVHZDCISA-N 2 2 355.442 0.951 20 0 FCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083148 490623514 /nfs/dbraw/zinc/62/35/14/490623514.db2.gz URNKKCBWABVTRL-NVXWUHKLSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550083148 490623517 /nfs/dbraw/zinc/62/35/17/490623517.db2.gz URNKKCBWABVTRL-NVXWUHKLSA-N 2 2 355.442 0.951 20 0 FCADLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486436252 490624025 /nfs/dbraw/zinc/62/40/25/490624025.db2.gz MKHRIUYMWBFAQU-TZMCWYRMSA-N 2 2 365.865 0.958 20 0 FCADLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486436252 490624032 /nfs/dbraw/zinc/62/40/32/490624032.db2.gz MKHRIUYMWBFAQU-TZMCWYRMSA-N 2 2 365.865 0.958 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486438747 490624138 /nfs/dbraw/zinc/62/41/38/490624138.db2.gz QEGAQAMWWNNBQX-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP CN(CC1CCCCC1)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486438747 490624143 /nfs/dbraw/zinc/62/41/43/490624143.db2.gz QEGAQAMWWNNBQX-QGZVFWFLSA-N 2 2 350.507 0.921 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486439744 490624167 /nfs/dbraw/zinc/62/41/67/490624167.db2.gz SIQCLFAUXFLFHQ-HNNXBMFYSA-N 2 2 374.441 0.640 20 0 FCADLP O=C(CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486439744 490624171 /nfs/dbraw/zinc/62/41/71/490624171.db2.gz SIQCLFAUXFLFHQ-HNNXBMFYSA-N 2 2 374.441 0.640 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486437635 490624360 /nfs/dbraw/zinc/62/43/60/490624360.db2.gz OJNRTLUCJBJYJK-GJZGRUSLSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486437635 490624369 /nfs/dbraw/zinc/62/43/69/490624369.db2.gz OJNRTLUCJBJYJK-GJZGRUSLSA-N 2 2 362.478 0.687 20 0 FCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486440127 490624513 /nfs/dbraw/zinc/62/45/13/490624513.db2.gz ACMRNRSYAZHZDH-MYBQVCMBSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486440127 490624517 /nfs/dbraw/zinc/62/45/17/490624517.db2.gz ACMRNRSYAZHZDH-MYBQVCMBSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486437636 490624907 /nfs/dbraw/zinc/62/49/07/490624907.db2.gz OJNRTLUCJBJYJK-HUUCEWRRSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486437636 490624912 /nfs/dbraw/zinc/62/49/12/490624912.db2.gz OJNRTLUCJBJYJK-HUUCEWRRSA-N 2 2 362.478 0.687 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)nc2)CC1 ZINC000571986652 491341146 /nfs/dbraw/zinc/34/11/46/491341146.db2.gz LAIXNYOLZHCMBT-HUUCEWRRSA-N 2 2 365.503 0.063 20 0 FCADLP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448244 490627658 /nfs/dbraw/zinc/62/76/58/490627658.db2.gz QVPGOGHTSIVSFF-KBPBESRZSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448244 490627664 /nfs/dbraw/zinc/62/76/64/490627664.db2.gz QVPGOGHTSIVSFF-KBPBESRZSA-N 2 2 350.488 0.649 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CCCCC1 ZINC000486448992 490628832 /nfs/dbraw/zinc/62/88/32/490628832.db2.gz IDKXWJHBDCHRCD-OAHLLOKOSA-N 2 2 365.478 0.041 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC(=O)NC1CCCCC1 ZINC000486448992 490628836 /nfs/dbraw/zinc/62/88/36/490628836.db2.gz IDKXWJHBDCHRCD-OAHLLOKOSA-N 2 2 365.478 0.041 20 0 FCADLP CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486463304 490634860 /nfs/dbraw/zinc/63/48/60/490634860.db2.gz STNWBJKIIUGITF-ZDUSSCGKSA-N 2 2 365.503 0.849 20 0 FCADLP CCc1nc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486463304 490634867 /nfs/dbraw/zinc/63/48/67/490634867.db2.gz STNWBJKIIUGITF-ZDUSSCGKSA-N 2 2 365.503 0.849 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)CCCC[NH+]3CCOCC3)CC2)C1=O ZINC000556872197 491342067 /nfs/dbraw/zinc/34/20/67/491342067.db2.gz NLBHLBOOGHKSBG-KRWDZBQOSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000501801908 490641895 /nfs/dbraw/zinc/64/18/95/490641895.db2.gz GVJBZGQGBJOHSL-SJORKVTESA-N 2 2 356.511 0.753 20 0 FCADLP CC(=O)N1CCN(C(=O)CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000512004685 490649882 /nfs/dbraw/zinc/64/98/82/490649882.db2.gz DYDAVOMNJWASGU-UHFFFAOYSA-N 2 2 353.492 0.375 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572013087 491342868 /nfs/dbraw/zinc/34/28/68/491342868.db2.gz GJEGIGQDLCCTKI-INIZCTEOSA-N 2 2 370.457 0.483 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564985715 491343416 /nfs/dbraw/zinc/34/34/16/491343416.db2.gz KWKAUCWOADIOBZ-AWEZNQCLSA-N 2 2 374.441 0.308 20 0 FCADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564985715 491343417 /nfs/dbraw/zinc/34/34/17/491343417.db2.gz KWKAUCWOADIOBZ-AWEZNQCLSA-N 2 2 374.441 0.308 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000550361606 490664733 /nfs/dbraw/zinc/66/47/33/490664733.db2.gz VOQXNKTWNCDTLF-AWEZNQCLSA-N 2 2 356.511 0.306 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000502094324 490676404 /nfs/dbraw/zinc/67/64/04/490676404.db2.gz CTTUYWMBEIXDSZ-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000502094324 490676407 /nfs/dbraw/zinc/67/64/07/490676407.db2.gz CTTUYWMBEIXDSZ-ARFHVFGLSA-N 2 2 354.495 0.153 20 0 FCADLP [NH3+]CC1(O)CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CC1 ZINC000572044562 491345080 /nfs/dbraw/zinc/34/50/80/491345080.db2.gz JJLKZBFCYFFXEZ-UHFFFAOYSA-N 2 2 353.492 0.463 20 0 FCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000537487063 490679533 /nfs/dbraw/zinc/67/95/33/490679533.db2.gz HCXFYGHCQDDJGS-ZBFHGGJFSA-N 2 2 355.504 0.298 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(=O)NCC(F)(F)F ZINC000502156684 490682620 /nfs/dbraw/zinc/68/26/20/490682620.db2.gz QSEFBRZPJVQTSS-UHFFFAOYSA-N 2 2 352.401 0.539 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(=O)NCC(F)(F)F ZINC000502156684 490682622 /nfs/dbraw/zinc/68/26/22/490682622.db2.gz QSEFBRZPJVQTSS-UHFFFAOYSA-N 2 2 352.401 0.539 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000512449356 490683142 /nfs/dbraw/zinc/68/31/42/490683142.db2.gz FVPUGKCPUJQZNH-YRPNKDGESA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000512449356 490683145 /nfs/dbraw/zinc/68/31/45/490683145.db2.gz FVPUGKCPUJQZNH-YRPNKDGESA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512449356 490683149 /nfs/dbraw/zinc/68/31/49/490683149.db2.gz FVPUGKCPUJQZNH-YRPNKDGESA-N 2 2 366.550 0.576 20 0 FCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512449356 490683152 /nfs/dbraw/zinc/68/31/52/490683152.db2.gz FVPUGKCPUJQZNH-YRPNKDGESA-N 2 2 366.550 0.576 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502515100 490707616 /nfs/dbraw/zinc/70/76/16/490707616.db2.gz AMYPQFZVGBWCHK-IAGOWNOFSA-N 2 2 369.506 0.972 20 0 FCADLP COC(=O)COCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502515100 490707617 /nfs/dbraw/zinc/70/76/17/490707617.db2.gz AMYPQFZVGBWCHK-IAGOWNOFSA-N 2 2 369.506 0.972 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000527230369 490710592 /nfs/dbraw/zinc/71/05/92/490710592.db2.gz XSZYERDFIQAHOI-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000527230369 490710596 /nfs/dbraw/zinc/71/05/96/490710596.db2.gz XSZYERDFIQAHOI-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP CCOC1CC(CNC(=O)CCc2c[nH+]cn2C)([NH+]2CCOCC2)C1 ZINC000527271454 490713354 /nfs/dbraw/zinc/71/33/54/490713354.db2.gz GNBFWQDNSSRCCS-UHFFFAOYSA-N 2 2 350.463 0.739 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486987 490715322 /nfs/dbraw/zinc/71/53/22/490715322.db2.gz HEZQGADZQKXPCV-BZUAXINKSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486987 490715325 /nfs/dbraw/zinc/71/53/25/490715325.db2.gz HEZQGADZQKXPCV-BZUAXINKSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486987 490715329 /nfs/dbraw/zinc/71/53/29/490715329.db2.gz HEZQGADZQKXPCV-BZUAXINKSA-N 2 2 369.506 0.685 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000487486987 490715333 /nfs/dbraw/zinc/71/53/33/490715333.db2.gz HEZQGADZQKXPCV-BZUAXINKSA-N 2 2 369.506 0.685 20 0 FCADLP CC[NH+](CC)CCSCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000487555721 490718495 /nfs/dbraw/zinc/71/84/95/490718495.db2.gz GZJFAXUBCLYUTI-UHFFFAOYSA-N 2 2 354.524 0.497 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000538216308 490719986 /nfs/dbraw/zinc/71/99/86/490719986.db2.gz STUHWHNUZUNNQK-HNNXBMFYSA-N 2 2 359.536 0.780 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000513463757 490731129 /nfs/dbraw/zinc/73/11/29/490731129.db2.gz PVSXBSGWCNZLTL-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)CCNC(=O)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000513475965 490732664 /nfs/dbraw/zinc/73/26/64/490732664.db2.gz NJCQGZBJIPVZQJ-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000565070493 491350728 /nfs/dbraw/zinc/35/07/28/491350728.db2.gz JSJRNBIMWSSFFT-INIZCTEOSA-N 2 2 369.473 0.482 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](S(C)(=O)=O)CC3)cn2)CC1 ZINC000503069886 490737429 /nfs/dbraw/zinc/73/74/29/490737429.db2.gz AMMIFIAXPBQCHH-INIZCTEOSA-N 2 2 367.519 0.628 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](S(C)(=O)=O)CC3)cn2)CC1 ZINC000503069886 490737431 /nfs/dbraw/zinc/73/74/31/490737431.db2.gz AMMIFIAXPBQCHH-INIZCTEOSA-N 2 2 367.519 0.628 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000513572872 490739102 /nfs/dbraw/zinc/73/91/02/490739102.db2.gz RDSIBKAGTKYFOT-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000513572872 490739106 /nfs/dbraw/zinc/73/91/06/490739106.db2.gz RDSIBKAGTKYFOT-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000503158380 490741072 /nfs/dbraw/zinc/74/10/72/490741072.db2.gz FFGVZPVUEFAUNF-LNCBFAARSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000503158380 490741073 /nfs/dbraw/zinc/74/10/73/490741073.db2.gz FFGVZPVUEFAUNF-LNCBFAARSA-N 2 2 360.462 0.475 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H](C[NH+]3CCOCC3)C1)n2C ZINC000538685135 490745136 /nfs/dbraw/zinc/74/51/36/490745136.db2.gz PQXQHXJLXKPRJY-AWEZNQCLSA-N 2 2 372.473 0.829 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000572147326 491351697 /nfs/dbraw/zinc/35/16/97/491351697.db2.gz MPLPGEIFDXPVCH-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000572147326 491351698 /nfs/dbraw/zinc/35/16/98/491351698.db2.gz MPLPGEIFDXPVCH-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(O)(C[NH+]3CCOCC3)CC1)CC2 ZINC000565080096 491351804 /nfs/dbraw/zinc/35/18/04/491351804.db2.gz CVLKRJBGYSUSBF-MRXNPFEDSA-N 2 2 362.474 0.440 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000488279277 490753229 /nfs/dbraw/zinc/75/32/29/490753229.db2.gz JESUEFLYGPUIKX-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000488279277 490753231 /nfs/dbraw/zinc/75/32/31/490753231.db2.gz JESUEFLYGPUIKX-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000488279277 490753235 /nfs/dbraw/zinc/75/32/35/490753235.db2.gz JESUEFLYGPUIKX-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000488279277 490753238 /nfs/dbraw/zinc/75/32/38/490753238.db2.gz JESUEFLYGPUIKX-VQHPVUNQSA-N 2 2 350.507 0.728 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000572155933 491352732 /nfs/dbraw/zinc/35/27/32/491352732.db2.gz XVDXEMOSZNLORA-GDBMZVCRSA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000572155933 491352737 /nfs/dbraw/zinc/35/27/37/491352737.db2.gz XVDXEMOSZNLORA-GDBMZVCRSA-N 2 2 363.462 0.422 20 0 FCADLP O=C1Nc2ccccc2C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000527997430 490771113 /nfs/dbraw/zinc/77/11/13/490771113.db2.gz GLSWTSGJCZLIRW-LJQANCHMSA-N 2 2 358.486 0.936 20 0 FCADLP O=C1Nc2ccccc2C[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000527997430 490771114 /nfs/dbraw/zinc/77/11/14/490771114.db2.gz GLSWTSGJCZLIRW-LJQANCHMSA-N 2 2 358.486 0.936 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000514668509 490779454 /nfs/dbraw/zinc/77/94/54/490779454.db2.gz HPBRMKGQNHIKCC-HNNXBMFYSA-N 2 2 355.504 0.768 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)c2c(F)cccc2F)C[C@H](C)O1 ZINC000514668236 490779701 /nfs/dbraw/zinc/77/97/01/490779701.db2.gz AUPMNLOJJHTMDP-MJBXVCDLSA-N 2 2 371.428 0.754 20 0 FCADLP CN(C)[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)c1c[nH+]cn1C ZINC000539488534 490785834 /nfs/dbraw/zinc/78/58/34/490785834.db2.gz LBIDLRWMYXGNGY-KRWDZBQOSA-N 2 2 351.495 0.982 20 0 FCADLP C[C@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)N1CC[NH+](C)CC1 ZINC000539785055 490795716 /nfs/dbraw/zinc/79/57/16/490795716.db2.gz AZOKRCGABKVGQW-CYBMUJFWSA-N 2 2 359.478 0.400 20 0 FCADLP CC(C)C[C@@H]1C(=O)NCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000514917936 490797613 /nfs/dbraw/zinc/79/76/13/490797613.db2.gz JIZRIDYCMNAVEI-QGZVFWFLSA-N 2 2 367.538 0.959 20 0 FCADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000557152814 491356700 /nfs/dbraw/zinc/35/67/00/491356700.db2.gz MVSGVVCEFAYFLC-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000557152814 491356703 /nfs/dbraw/zinc/35/67/03/491356703.db2.gz MVSGVVCEFAYFLC-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000557152814 491356705 /nfs/dbraw/zinc/35/67/05/491356705.db2.gz MVSGVVCEFAYFLC-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000557152814 491356708 /nfs/dbraw/zinc/35/67/08/491356708.db2.gz MVSGVVCEFAYFLC-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000572226969 491356688 /nfs/dbraw/zinc/35/66/88/491356688.db2.gz VIBQTDRZSDOBLZ-ZMSDIMECSA-N 2 2 354.520 0.588 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000515058827 490805969 /nfs/dbraw/zinc/80/59/69/490805969.db2.gz CJSOADMHXSQZMK-INIZCTEOSA-N 2 2 359.474 0.626 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000565178544 491357477 /nfs/dbraw/zinc/35/74/77/491357477.db2.gz JHEFRVLTIZTTFU-BBWFWOEESA-N 2 2 368.522 0.306 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC000515387878 490823788 /nfs/dbraw/zinc/82/37/88/490823788.db2.gz KYVAWUFJKCIDFI-QGZVFWFLSA-N 2 2 371.547 0.876 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)[C@H](C[NH3+])C1 ZINC000515402527 490824293 /nfs/dbraw/zinc/82/42/93/490824293.db2.gz XMCUTYUVHBVLBZ-SNVBAGLBSA-N 2 2 361.372 0.192 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)[C@H](C[NH3+])C1 ZINC000515402527 490824296 /nfs/dbraw/zinc/82/42/96/490824296.db2.gz XMCUTYUVHBVLBZ-SNVBAGLBSA-N 2 2 361.372 0.192 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000557182745 491358245 /nfs/dbraw/zinc/35/82/45/491358245.db2.gz GFFIYBIURLXGFG-CYBMUJFWSA-N 2 2 370.379 0.970 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515433793 490826378 /nfs/dbraw/zinc/82/63/78/490826378.db2.gz ACZZPTVHOLARHB-SJLPKXTDSA-N 2 2 374.485 0.376 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000515433793 490826381 /nfs/dbraw/zinc/82/63/81/490826381.db2.gz ACZZPTVHOLARHB-SJLPKXTDSA-N 2 2 374.485 0.376 20 0 FCADLP CN1C(=O)COc2ccc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC000528780830 490827790 /nfs/dbraw/zinc/82/77/90/490827790.db2.gz GEOGXNONWQBQLJ-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000515810828 490839221 /nfs/dbraw/zinc/83/92/21/490839221.db2.gz IXYZESAXYFWWSS-MEQKGCOVSA-N 2 2 357.502 0.931 20 0 FCADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000529314993 490850351 /nfs/dbraw/zinc/85/03/51/490850351.db2.gz KRECDBGLKTZGDG-RYQLBKOJSA-N 2 2 362.474 0.564 20 0 FCADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000529314993 490850354 /nfs/dbraw/zinc/85/03/54/490850354.db2.gz KRECDBGLKTZGDG-RYQLBKOJSA-N 2 2 362.474 0.564 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000572301074 491361534 /nfs/dbraw/zinc/36/15/34/491361534.db2.gz WFWJNIGTCYMFIE-KURKYZTESA-N 2 2 354.539 0.612 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000572301074 491361536 /nfs/dbraw/zinc/36/15/36/491361536.db2.gz WFWJNIGTCYMFIE-KURKYZTESA-N 2 2 354.539 0.612 20 0 FCADLP COCC[NH+](CCOC)C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000506159735 490852613 /nfs/dbraw/zinc/85/26/13/490852613.db2.gz JZEFTLZBBGJLGW-UHFFFAOYSA-N 2 2 353.467 0.652 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529357461 490856341 /nfs/dbraw/zinc/85/63/41/490856341.db2.gz RBFYGMOWJBVICR-KGLIPLIRSA-N 2 2 359.478 0.559 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529357461 490856343 /nfs/dbraw/zinc/85/63/43/490856343.db2.gz RBFYGMOWJBVICR-KGLIPLIRSA-N 2 2 359.478 0.559 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529356322 490856464 /nfs/dbraw/zinc/85/64/64/490856464.db2.gz IUQYIXIIEKJYDU-CQSZACIVSA-N 2 2 370.461 0.480 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000529373925 490857497 /nfs/dbraw/zinc/85/74/97/490857497.db2.gz KOCQAFRLAFTGCK-QGZVFWFLSA-N 2 2 362.474 0.901 20 0 FCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000541548484 490865903 /nfs/dbraw/zinc/86/59/03/490865903.db2.gz LPQROXZLPYLBIU-CVEARBPZSA-N 2 2 368.503 0.691 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000516554238 490867646 /nfs/dbraw/zinc/86/76/46/490867646.db2.gz HOJCTLOMIZLCDQ-RDJZCZTQSA-N 2 2 356.536 0.883 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NCCCC[NH+]3CCN(CCO)CC3)ccn12 ZINC000516782068 490877969 /nfs/dbraw/zinc/87/79/69/490877969.db2.gz GERQPYXTEWCODU-UHFFFAOYSA-N 2 2 359.474 0.763 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NCCCCN3CC[NH+](CCO)CC3)ccn12 ZINC000516782068 490877973 /nfs/dbraw/zinc/87/79/73/490877973.db2.gz GERQPYXTEWCODU-UHFFFAOYSA-N 2 2 359.474 0.763 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975177 490888919 /nfs/dbraw/zinc/88/89/19/490888919.db2.gz PTHFSCQBTOZWKE-HOCLYGCPSA-N 2 2 359.467 0.539 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000516975177 490888921 /nfs/dbraw/zinc/88/89/21/490888921.db2.gz PTHFSCQBTOZWKE-HOCLYGCPSA-N 2 2 359.467 0.539 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000530104461 490889117 /nfs/dbraw/zinc/88/91/17/490889117.db2.gz KOELAGZLFXFJMY-INIZCTEOSA-N 2 2 361.490 0.880 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000530243391 490894949 /nfs/dbraw/zinc/89/49/49/490894949.db2.gz XSUBYMOWFIUEMG-AEFFLSMTSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000517173069 490897290 /nfs/dbraw/zinc/89/72/90/490897290.db2.gz SDHKHLSXEKXRPL-ZFWWWQNUSA-N 2 2 356.492 0.556 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000517173069 490897292 /nfs/dbraw/zinc/89/72/92/490897292.db2.gz SDHKHLSXEKXRPL-ZFWWWQNUSA-N 2 2 356.492 0.556 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361244 490901281 /nfs/dbraw/zinc/90/12/81/490901281.db2.gz NMGVYQCWJWDFTC-QAPCUYQASA-N 2 2 359.470 0.721 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000530361244 490901282 /nfs/dbraw/zinc/90/12/82/490901282.db2.gz NMGVYQCWJWDFTC-QAPCUYQASA-N 2 2 359.470 0.721 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000517249638 490901705 /nfs/dbraw/zinc/90/17/05/490901705.db2.gz NLAQTIYBQJTAMB-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000542710119 490905033 /nfs/dbraw/zinc/90/50/33/490905033.db2.gz WIFQPXOHSSZEFO-KRWDZBQOSA-N 2 2 359.474 0.527 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)n1C ZINC000517359987 490905669 /nfs/dbraw/zinc/90/56/69/490905669.db2.gz YUPUQPJFAPEIEC-HNNXBMFYSA-N 2 2 372.429 0.454 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000530474624 490907501 /nfs/dbraw/zinc/90/75/01/490907501.db2.gz BSZZQYRELUQHMP-GOSISDBHSA-N 2 2 371.547 0.813 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1=O ZINC000543050608 490920443 /nfs/dbraw/zinc/92/04/43/490920443.db2.gz KNTSDTWVAOCEBG-PMPSAXMXSA-N 2 2 374.489 0.647 20 0 FCADLP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000543050608 490920445 /nfs/dbraw/zinc/92/04/45/490920445.db2.gz KNTSDTWVAOCEBG-PMPSAXMXSA-N 2 2 374.489 0.647 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000517783998 490921075 /nfs/dbraw/zinc/92/10/75/490921075.db2.gz FYOFDKWANSQLIO-WMZOPIPTSA-N 2 2 352.523 0.460 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000517783998 490921076 /nfs/dbraw/zinc/92/10/76/490921076.db2.gz FYOFDKWANSQLIO-WMZOPIPTSA-N 2 2 352.523 0.460 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000543106896 490922388 /nfs/dbraw/zinc/92/23/88/490922388.db2.gz KCPSKVSLHIKAFP-MRXNPFEDSA-N 2 2 369.506 0.874 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000543106896 490922390 /nfs/dbraw/zinc/92/23/90/490922390.db2.gz KCPSKVSLHIKAFP-MRXNPFEDSA-N 2 2 369.506 0.874 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000517885081 490924054 /nfs/dbraw/zinc/92/40/54/490924054.db2.gz UZTUAMCYAHPPAJ-GDBMZVCRSA-N 2 2 350.463 0.928 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000517885081 490924056 /nfs/dbraw/zinc/92/40/56/490924056.db2.gz UZTUAMCYAHPPAJ-GDBMZVCRSA-N 2 2 350.463 0.928 20 0 FCADLP O=c1ccc(Br)cn1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000518360176 490937790 /nfs/dbraw/zinc/93/77/90/490937790.db2.gz RBSIFJGYWAFPBM-ZFWWWQNUSA-N 2 2 356.264 0.967 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CCC[N@H+](C)C3)ccn2)CC1 ZINC000543613777 490938576 /nfs/dbraw/zinc/93/85/76/490938576.db2.gz MBDGXNCNPDHJDG-HNNXBMFYSA-N 2 2 374.489 0.933 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)ccn2)CC1 ZINC000543613777 490938578 /nfs/dbraw/zinc/93/85/78/490938578.db2.gz MBDGXNCNPDHJDG-HNNXBMFYSA-N 2 2 374.489 0.933 20 0 FCADLP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000543617134 490939202 /nfs/dbraw/zinc/93/92/02/490939202.db2.gz PWZBGTUWVOEUTM-HNNXBMFYSA-N 2 2 374.489 0.933 20 0 FCADLP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000543617134 490939203 /nfs/dbraw/zinc/93/92/03/490939203.db2.gz PWZBGTUWVOEUTM-HNNXBMFYSA-N 2 2 374.489 0.933 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000531370268 490954369 /nfs/dbraw/zinc/95/43/69/490954369.db2.gz INJSAQYLXXLDOA-UHFFFAOYSA-N 2 2 368.503 0.019 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000519121307 490962094 /nfs/dbraw/zinc/96/20/94/490962094.db2.gz XXIWWKRIANHTSF-BZUAXINKSA-N 2 2 354.495 0.380 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000519236606 490966169 /nfs/dbraw/zinc/96/61/69/490966169.db2.gz LAZYHMDCPRJUPH-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000519236606 490966172 /nfs/dbraw/zinc/96/61/72/490966172.db2.gz LAZYHMDCPRJUPH-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572396914 491367451 /nfs/dbraw/zinc/36/74/51/491367451.db2.gz YPRSXEIRKXUPCS-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572396914 491367453 /nfs/dbraw/zinc/36/74/53/491367453.db2.gz YPRSXEIRKXUPCS-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544585136 490973006 /nfs/dbraw/zinc/97/30/06/490973006.db2.gz NNFHOZVJEQPPMD-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000544585136 490973007 /nfs/dbraw/zinc/97/30/07/490973007.db2.gz NNFHOZVJEQPPMD-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000519628796 490980209 /nfs/dbraw/zinc/98/02/09/490980209.db2.gz DVMOHVSHKVJOMQ-YCPHGPKFSA-N 2 2 369.473 0.790 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1C ZINC000519632591 490980555 /nfs/dbraw/zinc/98/05/55/490980555.db2.gz WLENZOBXNWFTBG-CYBMUJFWSA-N 2 2 355.464 0.010 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1C ZINC000519632591 490980556 /nfs/dbraw/zinc/98/05/56/490980556.db2.gz WLENZOBXNWFTBG-CYBMUJFWSA-N 2 2 355.464 0.010 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1C ZINC000519632599 490980700 /nfs/dbraw/zinc/98/07/00/490980700.db2.gz WLENZOBXNWFTBG-ZDUSSCGKSA-N 2 2 355.464 0.010 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1C ZINC000519632599 490980703 /nfs/dbraw/zinc/98/07/03/490980703.db2.gz WLENZOBXNWFTBG-ZDUSSCGKSA-N 2 2 355.464 0.010 20 0 FCADLP CC[N@H+](CC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000519650387 490982198 /nfs/dbraw/zinc/98/21/98/490982198.db2.gz ZEUKPMFTRHDUEE-UHFFFAOYSA-N 2 2 352.866 0.710 20 0 FCADLP CC[N@@H+](CC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000519650387 490982199 /nfs/dbraw/zinc/98/21/99/490982199.db2.gz ZEUKPMFTRHDUEE-UHFFFAOYSA-N 2 2 352.866 0.710 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000519690934 490984321 /nfs/dbraw/zinc/98/43/21/490984321.db2.gz PTNHFOVNPKKDGQ-HIFRSBDPSA-N 2 2 372.477 0.712 20 0 FCADLP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC[NH2+]C1 ZINC000519754219 490988358 /nfs/dbraw/zinc/98/83/58/490988358.db2.gz HVKHKHNSQZAKSK-GOSISDBHSA-N 2 2 364.515 0.898 20 0 FCADLP Cc1noc(C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccccc2)n1 ZINC000519756037 490988374 /nfs/dbraw/zinc/98/83/74/490988374.db2.gz OIHFWCYGEPPJSX-HZPDHXFCSA-N 2 2 358.446 0.946 20 0 FCADLP Cc1noc(C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccccc2)n1 ZINC000519756037 490988376 /nfs/dbraw/zinc/98/83/76/490988376.db2.gz OIHFWCYGEPPJSX-HZPDHXFCSA-N 2 2 358.446 0.946 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)C2)CC1 ZINC000532343161 490991433 /nfs/dbraw/zinc/99/14/33/490991433.db2.gz GHRXANXEVBJZGD-ZWKOTPCHSA-N 2 2 351.539 0.249 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000612482890 491924082 /nfs/dbraw/zinc/92/40/82/491924082.db2.gz SEMQEMXWFIJPTR-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1C ZINC000602017403 491957082 /nfs/dbraw/zinc/95/70/82/491957082.db2.gz PXEGUUWPJAAWMF-GOOCMWNKSA-N 2 2 362.474 0.985 20 0 FCADLP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)n1C ZINC000602017403 491957084 /nfs/dbraw/zinc/95/70/84/491957084.db2.gz PXEGUUWPJAAWMF-GOOCMWNKSA-N 2 2 362.474 0.985 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC000554029590 491171452 /nfs/dbraw/zinc/17/14/52/491171452.db2.gz JYFZOLFWAWHTAP-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC000554029590 491171455 /nfs/dbraw/zinc/17/14/55/491171455.db2.gz JYFZOLFWAWHTAP-GOSISDBHSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569710805 491185003 /nfs/dbraw/zinc/18/50/03/491185003.db2.gz WSMTXZGLOKOUPQ-OCVGTWLNSA-N 2 2 358.442 0.259 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569710805 491185005 /nfs/dbraw/zinc/18/50/05/491185005.db2.gz WSMTXZGLOKOUPQ-OCVGTWLNSA-N 2 2 358.442 0.259 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224509 491185848 /nfs/dbraw/zinc/18/58/48/491185848.db2.gz FXZPAAWPXJQXSU-CVEARBPZSA-N 2 2 366.531 0.874 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000554224509 491185849 /nfs/dbraw/zinc/18/58/49/491185849.db2.gz FXZPAAWPXJQXSU-CVEARBPZSA-N 2 2 366.531 0.874 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569743583 491187319 /nfs/dbraw/zinc/18/73/19/491187319.db2.gz AEWKBGGSPSAMMG-HOCLYGCPSA-N 2 2 363.462 0.195 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569743583 491187321 /nfs/dbraw/zinc/18/73/21/491187321.db2.gz AEWKBGGSPSAMMG-HOCLYGCPSA-N 2 2 363.462 0.195 20 0 FCADLP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000572476938 491372913 /nfs/dbraw/zinc/37/29/13/491372913.db2.gz TYABLIGCVPQQQK-CABCVRRESA-N 2 2 355.398 0.665 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000557553738 491382216 /nfs/dbraw/zinc/38/22/16/491382216.db2.gz CMBVQGAYYDWKFR-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000557553738 491382218 /nfs/dbraw/zinc/38/22/18/491382218.db2.gz CMBVQGAYYDWKFR-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000557553646 491382518 /nfs/dbraw/zinc/38/25/18/491382518.db2.gz HBHNHYXSUAEJLY-HNNXBMFYSA-N 2 2 362.478 0.045 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000557553646 491382521 /nfs/dbraw/zinc/38/25/21/491382521.db2.gz HBHNHYXSUAEJLY-HNNXBMFYSA-N 2 2 362.478 0.045 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[N@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573477 491384580 /nfs/dbraw/zinc/38/45/80/491384580.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[N@@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573477 491384582 /nfs/dbraw/zinc/38/45/82/491384582.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@H+](C)C1 ZINC000557573477 491384585 /nfs/dbraw/zinc/38/45/85/491384585.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000557573477 491384587 /nfs/dbraw/zinc/38/45/87/491384587.db2.gz ZQQAREGYJFDNHB-CVEARBPZSA-N 3 2 362.522 0.836 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000557708553 491393426 /nfs/dbraw/zinc/39/34/26/491393426.db2.gz RJTHXLKVACERKN-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000557708553 491393427 /nfs/dbraw/zinc/39/34/27/491393427.db2.gz RJTHXLKVACERKN-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557751899 491396044 /nfs/dbraw/zinc/39/60/44/491396044.db2.gz WYKZDQRLHIAOFU-MRXNPFEDSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557751899 491396045 /nfs/dbraw/zinc/39/60/45/491396045.db2.gz WYKZDQRLHIAOFU-MRXNPFEDSA-N 2 2 371.485 0.863 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@]3(C)CCCO3)CC2)CC1 ZINC000565849320 491403151 /nfs/dbraw/zinc/40/31/51/491403151.db2.gz AEKDQGTUFSJGKZ-IBGZPJMESA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000565890895 491405443 /nfs/dbraw/zinc/40/54/43/491405443.db2.gz XTBDZFVTKRBZLO-RDJZCZTQSA-N 2 2 350.507 0.825 20 0 FCADLP [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000573004377 491406854 /nfs/dbraw/zinc/40/68/54/491406854.db2.gz ZEKRCQMLJYHLJJ-IRXDYDNUSA-N 2 2 372.469 0.084 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000565945169 491408473 /nfs/dbraw/zinc/40/84/73/491408473.db2.gz ZEMOAEJPTNGBIW-HXUWFJFHSA-N 2 2 358.486 0.588 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000565945169 491408475 /nfs/dbraw/zinc/40/84/75/491408475.db2.gz ZEMOAEJPTNGBIW-HXUWFJFHSA-N 2 2 358.486 0.588 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000565971973 491410326 /nfs/dbraw/zinc/41/03/26/491410326.db2.gz JTVZTFIJQJWMHH-JKSUJKDBSA-N 2 2 361.490 0.985 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000565971973 491410329 /nfs/dbraw/zinc/41/03/29/491410329.db2.gz JTVZTFIJQJWMHH-JKSUJKDBSA-N 2 2 361.490 0.985 20 0 FCADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000573075274 491410511 /nfs/dbraw/zinc/41/05/11/491410511.db2.gz UIONKRGDZUIQCU-QLFBSQMISA-N 2 2 371.489 0.988 20 0 FCADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cn2c1 ZINC000566021215 491413364 /nfs/dbraw/zinc/41/33/64/491413364.db2.gz QJDFMQHCHSEYLI-LSDHHAIUSA-N 2 2 373.482 0.646 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558229482 491421416 /nfs/dbraw/zinc/42/14/16/491421416.db2.gz CPLCYUOHLRSZES-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558229482 491421418 /nfs/dbraw/zinc/42/14/18/491421418.db2.gz CPLCYUOHLRSZES-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)[C@H]1CCC(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000566268733 491431942 /nfs/dbraw/zinc/43/19/42/491431942.db2.gz IDHDWONQTXFSJC-HNNXBMFYSA-N 2 2 364.490 0.052 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000558470555 491432005 /nfs/dbraw/zinc/43/20/05/491432005.db2.gz BFWLQCDAYKBWBZ-UHFFFAOYSA-N 2 2 358.442 0.990 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000573548830 491439883 /nfs/dbraw/zinc/43/98/83/491439883.db2.gz IEAHRCYDPLXPFK-XOKHGSTOSA-N 2 2 367.444 0.913 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000573548830 491439886 /nfs/dbraw/zinc/43/98/86/491439886.db2.gz IEAHRCYDPLXPFK-XOKHGSTOSA-N 2 2 367.444 0.913 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566392126 491440687 /nfs/dbraw/zinc/44/06/87/491440687.db2.gz CDNFGBHYNJVZPZ-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566392126 491440688 /nfs/dbraw/zinc/44/06/88/491440688.db2.gz CDNFGBHYNJVZPZ-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566392126 491440690 /nfs/dbraw/zinc/44/06/90/491440690.db2.gz CDNFGBHYNJVZPZ-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566392126 491440692 /nfs/dbraw/zinc/44/06/92/491440692.db2.gz CDNFGBHYNJVZPZ-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000566392124 491440923 /nfs/dbraw/zinc/44/09/23/491440923.db2.gz CDNFGBHYNJVZPZ-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000566392124 491440924 /nfs/dbraw/zinc/44/09/24/491440924.db2.gz CDNFGBHYNJVZPZ-HOTGVXAUSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494529 491448314 /nfs/dbraw/zinc/44/83/14/491448314.db2.gz AGBAEAVDGYELOB-KYNGSXCRSA-N 2 2 370.497 0.986 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494529 491448316 /nfs/dbraw/zinc/44/83/16/491448316.db2.gz AGBAEAVDGYELOB-KYNGSXCRSA-N 2 2 370.497 0.986 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCn2cc[nH+]c2C)c1C ZINC000573705523 491449569 /nfs/dbraw/zinc/44/95/69/491449569.db2.gz ZUUMBTNPRBJBGW-UHFFFAOYSA-N 2 2 359.430 0.987 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000573754198 491452810 /nfs/dbraw/zinc/45/28/10/491452810.db2.gz SQWSDPAGDRHCHE-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000573754198 491452814 /nfs/dbraw/zinc/45/28/14/491452814.db2.gz SQWSDPAGDRHCHE-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000566668181 491459197 /nfs/dbraw/zinc/45/91/97/491459197.db2.gz APXLDTPQTFIYTD-CABCVRRESA-N 2 2 354.495 0.380 20 0 FCADLP CCC(CC)[C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)[NH+]1CCOCC1 ZINC000573963422 491465964 /nfs/dbraw/zinc/46/59/64/491465964.db2.gz RFTODDXRXBHRAK-CQSZACIVSA-N 2 2 365.482 0.290 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000566787010 491466761 /nfs/dbraw/zinc/46/67/61/491466761.db2.gz QILNPKTXZMJAAY-ABHNRTSZSA-N 2 2 367.538 0.613 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCO1 ZINC000566787010 491466762 /nfs/dbraw/zinc/46/67/62/491466762.db2.gz QILNPKTXZMJAAY-ABHNRTSZSA-N 2 2 367.538 0.613 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000566787010 491466763 /nfs/dbraw/zinc/46/67/63/491466763.db2.gz QILNPKTXZMJAAY-ABHNRTSZSA-N 2 2 367.538 0.613 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CCO1 ZINC000566787010 491466764 /nfs/dbraw/zinc/46/67/64/491466764.db2.gz QILNPKTXZMJAAY-ABHNRTSZSA-N 2 2 367.538 0.613 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000559379125 491468312 /nfs/dbraw/zinc/46/83/12/491468312.db2.gz NTZBFCFDYOSEBQ-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000559379125 491468313 /nfs/dbraw/zinc/46/83/13/491468313.db2.gz NTZBFCFDYOSEBQ-INIZCTEOSA-N 2 2 366.506 0.347 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000559379841 491469152 /nfs/dbraw/zinc/46/91/52/491469152.db2.gz DHVWNYQQQZCZKR-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000559379841 491469153 /nfs/dbraw/zinc/46/91/53/491469153.db2.gz DHVWNYQQQZCZKR-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000559384719 491469702 /nfs/dbraw/zinc/46/97/02/491469702.db2.gz ZPYFGMDGPUZYCY-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000559384719 491469703 /nfs/dbraw/zinc/46/97/03/491469703.db2.gz ZPYFGMDGPUZYCY-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000559439999 491473627 /nfs/dbraw/zinc/47/36/27/491473627.db2.gz DWXOIIHCWLEBED-IRXDYDNUSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000559439999 491473629 /nfs/dbraw/zinc/47/36/29/491473629.db2.gz DWXOIIHCWLEBED-IRXDYDNUSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000559439999 491473631 /nfs/dbraw/zinc/47/36/31/491473631.db2.gz DWXOIIHCWLEBED-IRXDYDNUSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000559439999 491473633 /nfs/dbraw/zinc/47/36/33/491473633.db2.gz DWXOIIHCWLEBED-IRXDYDNUSA-N 2 2 368.522 0.258 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000559528558 491479413 /nfs/dbraw/zinc/47/94/13/491479413.db2.gz YAOYMHNVSHKOOF-INIZCTEOSA-N 2 2 373.432 0.975 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000559550968 491480392 /nfs/dbraw/zinc/48/03/92/491480392.db2.gz BYPJAEUSTRRMGF-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000559550968 491480393 /nfs/dbraw/zinc/48/03/93/491480393.db2.gz BYPJAEUSTRRMGF-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000567046226 491482119 /nfs/dbraw/zinc/48/21/19/491482119.db2.gz VTYSYTJRWPIBNT-ZWKOTPCHSA-N 2 2 374.485 0.434 20 0 FCADLP COC(=O)COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567148703 491488757 /nfs/dbraw/zinc/48/87/57/491488757.db2.gz KMGJMTXTGBPYFR-AWEZNQCLSA-N 2 2 350.419 0.023 20 0 FCADLP COC(=O)COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567148703 491488759 /nfs/dbraw/zinc/48/87/59/491488759.db2.gz KMGJMTXTGBPYFR-AWEZNQCLSA-N 2 2 350.419 0.023 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000559641419 491488938 /nfs/dbraw/zinc/48/89/38/491488938.db2.gz XDGQKCOALDWKIP-GOSISDBHSA-N 2 2 360.502 0.506 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000559641419 491488939 /nfs/dbraw/zinc/48/89/39/491488939.db2.gz XDGQKCOALDWKIP-GOSISDBHSA-N 2 2 360.502 0.506 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000559749105 491495534 /nfs/dbraw/zinc/49/55/34/491495534.db2.gz RJNPCNBMSBNWBO-UKRRQHHQSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000559749105 491495537 /nfs/dbraw/zinc/49/55/37/491495537.db2.gz RJNPCNBMSBNWBO-UKRRQHHQSA-N 2 2 368.503 0.304 20 0 FCADLP Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000574512662 491502251 /nfs/dbraw/zinc/50/22/51/491502251.db2.gz ZCAAZDMRGCYUQY-UXLLHSPISA-N 2 2 367.465 0.924 20 0 FCADLP Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000574512662 491502253 /nfs/dbraw/zinc/50/22/53/491502253.db2.gz ZCAAZDMRGCYUQY-UXLLHSPISA-N 2 2 367.465 0.924 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000559902807 491508574 /nfs/dbraw/zinc/50/85/74/491508574.db2.gz SKVRWOJLOUMHII-UHFFFAOYSA-N 2 2 370.457 0.892 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000567486584 491508961 /nfs/dbraw/zinc/50/89/61/491508961.db2.gz NWEFWVVVZPMTEX-IVMMDQJWSA-N 2 2 362.478 0.817 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000567486585 491509085 /nfs/dbraw/zinc/50/90/85/491509085.db2.gz NWEFWVVVZPMTEX-XNRPHZJLSA-N 2 2 362.478 0.817 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559904494 491509282 /nfs/dbraw/zinc/50/92/82/491509282.db2.gz VWXAYIAOQJPUHZ-OAHLLOKOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000559932518 491511152 /nfs/dbraw/zinc/51/11/52/491511152.db2.gz NUOWKNHVAFWJQH-ZFWWWQNUSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000559932518 491511153 /nfs/dbraw/zinc/51/11/53/491511153.db2.gz NUOWKNHVAFWJQH-ZFWWWQNUSA-N 2 2 359.474 0.620 20 0 FCADLP CCNc1nc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000567533618 491512088 /nfs/dbraw/zinc/51/20/88/491512088.db2.gz PMEGSYSFIWGLGF-QWHCGFSZSA-N 2 2 351.499 0.879 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559968131 491512594 /nfs/dbraw/zinc/51/25/94/491512594.db2.gz WEDRSDQKAHDSJL-SOUVJXGZSA-N 2 2 351.451 0.003 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000559968131 491512595 /nfs/dbraw/zinc/51/25/95/491512595.db2.gz WEDRSDQKAHDSJL-SOUVJXGZSA-N 2 2 351.451 0.003 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000683375102 493347806 /nfs/dbraw/zinc/34/78/06/493347806.db2.gz HTSYPGMLUJRIBC-SJLPKXTDSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000683375102 493347809 /nfs/dbraw/zinc/34/78/09/493347809.db2.gz HTSYPGMLUJRIBC-SJLPKXTDSA-N 2 2 367.538 0.375 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813244 491521887 /nfs/dbraw/zinc/52/18/87/491521887.db2.gz VOYCTTIDOKDWNS-LSDHHAIUSA-N 2 2 362.499 0.574 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000574813244 491521888 /nfs/dbraw/zinc/52/18/88/491521888.db2.gz VOYCTTIDOKDWNS-LSDHHAIUSA-N 2 2 362.499 0.574 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736094 491526533 /nfs/dbraw/zinc/52/65/33/491526533.db2.gz HHXGZXSFGHKSFV-STQMWFEESA-N 2 2 364.412 0.859 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736094 491526535 /nfs/dbraw/zinc/52/65/35/491526535.db2.gz HHXGZXSFGHKSFV-STQMWFEESA-N 2 2 364.412 0.859 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000574974760 491531355 /nfs/dbraw/zinc/53/13/55/491531355.db2.gz PZMGZGNCMIEUNZ-VXGBXAGGSA-N 2 2 367.400 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)[C@H](C[NH3+])C1 ZINC000574974760 491531356 /nfs/dbraw/zinc/53/13/56/491531356.db2.gz PZMGZGNCMIEUNZ-VXGBXAGGSA-N 2 2 367.400 0.354 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000575068905 491537461 /nfs/dbraw/zinc/53/74/61/491537461.db2.gz HBNOYNHCBOZAPE-KRWDZBQOSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000575068905 491537463 /nfs/dbraw/zinc/53/74/63/491537463.db2.gz HBNOYNHCBOZAPE-KRWDZBQOSA-N 2 2 364.490 0.980 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889609 491538482 /nfs/dbraw/zinc/53/84/82/491538482.db2.gz CGRGHUXZSCJNCC-IAGOWNOFSA-N 2 2 356.470 0.736 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000567889609 491538483 /nfs/dbraw/zinc/53/84/83/491538483.db2.gz CGRGHUXZSCJNCC-IAGOWNOFSA-N 2 2 356.470 0.736 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000575153027 491542288 /nfs/dbraw/zinc/54/22/88/491542288.db2.gz JJUZXMPVOFPEOA-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000568158691 491556426 /nfs/dbraw/zinc/55/64/26/491556426.db2.gz WOANOXVYDHPLIR-MRXNPFEDSA-N 2 2 356.474 0.628 20 0 FCADLP O=C(CN1CCN(c2[nH]cc[nH+]2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000568168000 491556624 /nfs/dbraw/zinc/55/66/24/491556624.db2.gz UTXXNZBKISCOFA-UHFFFAOYSA-N 2 2 374.514 0.938 20 0 FCADLP [NH3+][C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000575733959 491557227 /nfs/dbraw/zinc/55/72/27/491557227.db2.gz CPLUTKCNSRKHAA-MRXNPFEDSA-N 2 2 351.495 0.454 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000560797688 491557938 /nfs/dbraw/zinc/55/79/38/491557938.db2.gz SPTUHTZDGDSCHA-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000560797688 491557941 /nfs/dbraw/zinc/55/79/41/491557941.db2.gz SPTUHTZDGDSCHA-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP COCC[NH2+]CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000575744824 491557955 /nfs/dbraw/zinc/55/79/55/491557955.db2.gz GIFAHNHIGVIZBK-UHFFFAOYSA-N 2 2 365.865 0.868 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@]3(C)CO)CC2)CC1 ZINC000560873159 491560877 /nfs/dbraw/zinc/56/08/77/491560877.db2.gz BTKRKSHZXQELQV-LJQANCHMSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000568268556 491565481 /nfs/dbraw/zinc/56/54/81/491565481.db2.gz ZHKZYCLFOKGDRJ-RYQLBKOJSA-N 2 2 374.485 0.514 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000568268556 491565484 /nfs/dbraw/zinc/56/54/84/491565484.db2.gz ZHKZYCLFOKGDRJ-RYQLBKOJSA-N 2 2 374.485 0.514 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000568277804 491566016 /nfs/dbraw/zinc/56/60/16/491566016.db2.gz FJSDYJYDPIAYLN-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000568277804 491566017 /nfs/dbraw/zinc/56/60/17/491566017.db2.gz FJSDYJYDPIAYLN-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000561011817 491569870 /nfs/dbraw/zinc/56/98/70/491569870.db2.gz SWWPRHMPIUJFTE-HNNXBMFYSA-N 2 2 359.430 0.482 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000575914090 491569925 /nfs/dbraw/zinc/56/99/25/491569925.db2.gz AYHRKAYNUXXXIY-HNNXBMFYSA-N 2 2 350.488 0.603 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000561151201 491578706 /nfs/dbraw/zinc/57/87/06/491578706.db2.gz KJYKMBGBUYWRSC-CVEARBPZSA-N 2 2 374.489 0.560 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CCN2C1=O ZINC000576053320 491578828 /nfs/dbraw/zinc/57/88/28/491578828.db2.gz KLPRRGNCYGOILN-IAGOWNOFSA-N 2 2 353.426 0.244 20 0 FCADLP C[NH+]1CCN(C[C@@H](NC(=O)NCC(F)(F)C[NH3+])c2ccccc2)CC1 ZINC000561156184 491579187 /nfs/dbraw/zinc/57/91/87/491579187.db2.gz QTDHZOMLWFQESA-OAHLLOKOSA-N 2 2 355.433 0.868 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568486970 491579701 /nfs/dbraw/zinc/57/97/01/491579701.db2.gz QDFXBMLAZWHTQB-CQSZACIVSA-N 2 2 360.458 0.450 20 0 FCADLP CCOC(=O)c1csc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000568502747 491580640 /nfs/dbraw/zinc/58/06/40/491580640.db2.gz ZQMUZZITUHGCTI-IHRRRGAJSA-N 2 2 371.503 0.922 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000576100545 491581515 /nfs/dbraw/zinc/58/15/15/491581515.db2.gz PRAKYNBHWRVCAF-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1C ZINC000576100545 491581518 /nfs/dbraw/zinc/58/15/18/491581518.db2.gz PRAKYNBHWRVCAF-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673637449 493352342 /nfs/dbraw/zinc/35/23/42/493352342.db2.gz LTAWLNBBYAKIOK-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000673637449 493352345 /nfs/dbraw/zinc/35/23/45/493352345.db2.gz LTAWLNBBYAKIOK-QGZVFWFLSA-N 2 2 360.458 0.733 20 0 FCADLP CCCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000577047761 491583563 /nfs/dbraw/zinc/58/35/63/491583563.db2.gz YUACBDFGKWKOBP-GVDBMIGSSA-N 2 2 366.506 0.347 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000561229944 491585844 /nfs/dbraw/zinc/58/58/44/491585844.db2.gz WDMJEUGLWNIDBR-MSOLQXFVSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000561229944 491585845 /nfs/dbraw/zinc/58/58/45/491585845.db2.gz WDMJEUGLWNIDBR-MSOLQXFVSA-N 2 2 374.485 0.201 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCC[NH2+]C1CC1 ZINC000576161820 491587197 /nfs/dbraw/zinc/58/71/97/491587197.db2.gz OWOZOSYOPMQZQX-UHFFFAOYSA-N 2 2 359.474 0.769 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000568606330 491591251 /nfs/dbraw/zinc/59/12/51/491591251.db2.gz GECPYYSLHNFSRM-UHFFFAOYSA-N 2 2 368.522 0.593 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000568608405 491591487 /nfs/dbraw/zinc/59/14/87/491591487.db2.gz ODFNXYSQAGUBGI-IBGZPJMESA-N 2 2 373.505 0.384 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000561366974 491602190 /nfs/dbraw/zinc/60/21/90/491602190.db2.gz ALTAZZVCOZOIMS-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000577269948 491608445 /nfs/dbraw/zinc/60/84/45/491608445.db2.gz YGUJWYGZLGYIDS-KURKYZTESA-N 2 2 374.485 0.562 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000568777379 491608958 /nfs/dbraw/zinc/60/89/58/491608958.db2.gz KOSNFJYECZLKLH-DAWZGUTISA-N 2 2 354.539 0.612 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000568777379 491608960 /nfs/dbraw/zinc/60/89/60/491608960.db2.gz KOSNFJYECZLKLH-DAWZGUTISA-N 2 2 354.539 0.612 20 0 FCADLP C[NH+](C)C1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000576387073 491610367 /nfs/dbraw/zinc/61/03/67/491610367.db2.gz MHJVDRIKQUQVBY-GTPINHCMSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000576402561 491612178 /nfs/dbraw/zinc/61/21/78/491612178.db2.gz IXGWCQBTNFPXKX-OAHLLOKOSA-N 2 2 357.414 0.769 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000561530338 491614474 /nfs/dbraw/zinc/61/44/74/491614474.db2.gz GMZHSAVVLKDJQF-OAHLLOKOSA-N 2 2 351.451 0.054 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000576456024 491616556 /nfs/dbraw/zinc/61/65/56/491616556.db2.gz QNZCGYPGPHNINL-FGTMMUONSA-N 2 2 354.539 0.421 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000576456024 491616558 /nfs/dbraw/zinc/61/65/58/491616558.db2.gz QNZCGYPGPHNINL-FGTMMUONSA-N 2 2 354.539 0.421 20 0 FCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[C@H]2C1 ZINC000577418548 491621109 /nfs/dbraw/zinc/62/11/09/491621109.db2.gz ANAMHONMUDOYMV-KLACQSGDSA-N 2 2 353.507 0.693 20 0 FCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)[C@H]2C1 ZINC000577418548 491621111 /nfs/dbraw/zinc/62/11/11/491621111.db2.gz ANAMHONMUDOYMV-KLACQSGDSA-N 2 2 353.507 0.693 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000561638713 491622423 /nfs/dbraw/zinc/62/24/23/491622423.db2.gz ZMKFKAOEHFVNCA-INIZCTEOSA-N 2 2 373.432 0.701 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000561638713 491622425 /nfs/dbraw/zinc/62/24/25/491622425.db2.gz ZMKFKAOEHFVNCA-INIZCTEOSA-N 2 2 373.432 0.701 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000576601986 491628540 /nfs/dbraw/zinc/62/85/40/491628540.db2.gz KJONSWJFJHRGMV-INIZCTEOSA-N 2 2 361.490 0.697 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@H](C)O1 ZINC000569071316 491631425 /nfs/dbraw/zinc/63/14/25/491631425.db2.gz RQFUXNXQODKCNJ-ZRSRNVLSSA-N 2 2 355.523 0.690 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@H](C)O1 ZINC000569071316 491631426 /nfs/dbraw/zinc/63/14/26/491631426.db2.gz RQFUXNXQODKCNJ-ZRSRNVLSSA-N 2 2 355.523 0.690 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)C1C[NH2+]C1 ZINC000576634249 491632033 /nfs/dbraw/zinc/63/20/33/491632033.db2.gz DNXMBGNZMRNUEU-AWEZNQCLSA-N 2 2 362.449 0.555 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000569094752 491633073 /nfs/dbraw/zinc/63/30/73/491633073.db2.gz RTLCDIPCDGTFEI-ZFWWWQNUSA-N 2 2 350.488 0.636 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000569105933 491633974 /nfs/dbraw/zinc/63/39/74/491633974.db2.gz DIGYLKPQSVAFAA-CQSZACIVSA-N 2 2 350.488 0.460 20 0 FCADLP CCN1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1=O ZINC000569106450 491633997 /nfs/dbraw/zinc/63/39/97/491633997.db2.gz IIZIFRZZJAHFPX-SJORKVTESA-N 2 2 355.442 0.538 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000577591249 491634514 /nfs/dbraw/zinc/63/45/14/491634514.db2.gz XKKFAIATFIMJTC-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000577602849 491634912 /nfs/dbraw/zinc/63/49/12/491634912.db2.gz QCTIRHSGOZEFTN-LJQANCHMSA-N 2 2 360.502 0.900 20 0 FCADLP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000577602849 491634914 /nfs/dbraw/zinc/63/49/14/491634914.db2.gz QCTIRHSGOZEFTN-LJQANCHMSA-N 2 2 360.502 0.900 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC[NH2+]1 ZINC000577605706 491635739 /nfs/dbraw/zinc/63/57/39/491635739.db2.gz PNXMCGGIEPWYJV-MRXNPFEDSA-N 2 2 365.522 0.714 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCN(c3[nH]cc[nH+]3)CC1)n2C ZINC000577624874 491637715 /nfs/dbraw/zinc/63/77/15/491637715.db2.gz WYCOVTSTULXCJE-UHFFFAOYSA-N 2 2 354.418 0.720 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000577726864 491646400 /nfs/dbraw/zinc/64/64/00/491646400.db2.gz KWECTHIIPIDJNC-MRXNPFEDSA-N 2 2 355.442 0.758 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000577728122 491646658 /nfs/dbraw/zinc/64/66/58/491646658.db2.gz ZFJSSYBQXWREQB-ZDUSSCGKSA-N 2 2 369.263 0.280 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000577728122 491646659 /nfs/dbraw/zinc/64/66/59/491646659.db2.gz ZFJSSYBQXWREQB-ZDUSSCGKSA-N 2 2 369.263 0.280 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000562011727 491648013 /nfs/dbraw/zinc/64/80/13/491648013.db2.gz LRLAKPRQQIHMPF-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)sc1Br ZINC000576863947 491651547 /nfs/dbraw/zinc/65/15/47/491651547.db2.gz NMZQSMMVEACIRB-LLVKDONJSA-N 2 2 363.325 0.912 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000577875628 491659078 /nfs/dbraw/zinc/65/90/78/491659078.db2.gz RRSMGIMLFKRXRU-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000577875628 491659080 /nfs/dbraw/zinc/65/90/80/491659080.db2.gz RRSMGIMLFKRXRU-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000673701675 493359175 /nfs/dbraw/zinc/35/91/75/493359175.db2.gz FLLGRYFWKSCFJY-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000673701675 493359176 /nfs/dbraw/zinc/35/91/76/493359176.db2.gz FLLGRYFWKSCFJY-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000578054506 491668732 /nfs/dbraw/zinc/66/87/32/491668732.db2.gz JJDPGYXLYGCUNW-QGZVFWFLSA-N 2 2 373.501 0.122 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCn2cc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000578226672 491672560 /nfs/dbraw/zinc/67/25/60/491672560.db2.gz OPNMCIDNRVPEGS-LBPRGKRZSA-N 2 2 359.272 0.320 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCn2cc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000578226672 491672561 /nfs/dbraw/zinc/67/25/61/491672561.db2.gz OPNMCIDNRVPEGS-LBPRGKRZSA-N 2 2 359.272 0.320 20 0 FCADLP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1cnn(C)c1 ZINC000578627989 491681159 /nfs/dbraw/zinc/68/11/59/491681159.db2.gz WPAYMJMUMAMZPF-IAOVAPTHSA-N 2 2 359.478 0.613 20 0 FCADLP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1cnn(C)c1 ZINC000578627989 491681160 /nfs/dbraw/zinc/68/11/60/491681160.db2.gz WPAYMJMUMAMZPF-IAOVAPTHSA-N 2 2 359.478 0.613 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000578656458 491681869 /nfs/dbraw/zinc/68/18/69/491681869.db2.gz XEXQPGAQVBNDPA-PMACEKPBSA-N 2 2 374.529 0.547 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000578656458 491681870 /nfs/dbraw/zinc/68/18/70/491681870.db2.gz XEXQPGAQVBNDPA-PMACEKPBSA-N 2 2 374.529 0.547 20 0 FCADLP Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578746808 491683364 /nfs/dbraw/zinc/68/33/64/491683364.db2.gz WKACIBNCYIUCOU-MRXNPFEDSA-N 2 2 371.489 0.540 20 0 FCADLP Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578746808 491683365 /nfs/dbraw/zinc/68/33/65/491683365.db2.gz WKACIBNCYIUCOU-MRXNPFEDSA-N 2 2 371.489 0.540 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000579148666 491692087 /nfs/dbraw/zinc/69/20/87/491692087.db2.gz ZCEOJZOTCVZFQV-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000579148666 491692088 /nfs/dbraw/zinc/69/20/88/491692088.db2.gz ZCEOJZOTCVZFQV-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000579148666 491692089 /nfs/dbraw/zinc/69/20/89/491692089.db2.gz ZCEOJZOTCVZFQV-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000579148666 491692090 /nfs/dbraw/zinc/69/20/90/491692090.db2.gz ZCEOJZOTCVZFQV-IBGZPJMESA-N 2 2 372.513 0.960 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000579284977 491694704 /nfs/dbraw/zinc/69/47/04/491694704.db2.gz QTRHLJSMSKBJSH-MRXNPFEDSA-N 2 2 373.501 0.887 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H](C)O1 ZINC000579345820 491695995 /nfs/dbraw/zinc/69/59/95/491695995.db2.gz PCQPUZTVZYHYET-ZJPYXAASSA-N 2 2 368.522 0.726 20 0 FCADLP CCC(CC)[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000579385847 491697089 /nfs/dbraw/zinc/69/70/89/491697089.db2.gz SWHPVFIOBCEIEY-IEBWSBKVSA-N 2 2 353.507 0.696 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000579418934 491697584 /nfs/dbraw/zinc/69/75/84/491697584.db2.gz UXISIXYVXJOOCK-OAHLLOKOSA-N 2 2 369.535 1.160 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000579418934 491697585 /nfs/dbraw/zinc/69/75/85/491697585.db2.gz UXISIXYVXJOOCK-OAHLLOKOSA-N 2 2 369.535 1.160 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000579456238 491698151 /nfs/dbraw/zinc/69/81/51/491698151.db2.gz HGVLIZSEQOBKRY-GJZGRUSLSA-N 2 2 364.494 0.461 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCCC[NH2+]C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000579454065 491698229 /nfs/dbraw/zinc/69/82/29/491698229.db2.gz CLJNRCGNLZURCP-AWEZNQCLSA-N 2 2 350.467 0.119 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000579560915 491700386 /nfs/dbraw/zinc/70/03/86/491700386.db2.gz VIASMCSLXCRLDI-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP Cn1nccc1S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000579692478 491703012 /nfs/dbraw/zinc/70/30/12/491703012.db2.gz AWUMOXFZXQJRJB-UHFFFAOYSA-N 2 2 363.487 0.692 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)C[C@H](C)O1 ZINC000579700570 491703139 /nfs/dbraw/zinc/70/31/39/491703139.db2.gz DDRBOWJJOGDXKJ-JZXOWHBKSA-N 2 2 364.490 0.478 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)nc2)C[C@H](C)O1 ZINC000579700570 491703140 /nfs/dbraw/zinc/70/31/40/491703140.db2.gz DDRBOWJJOGDXKJ-JZXOWHBKSA-N 2 2 364.490 0.478 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(O)(C[NH3+])CC1)CC2 ZINC000579711603 491703660 /nfs/dbraw/zinc/70/36/60/491703660.db2.gz RXKBKUOGMISHNG-UHFFFAOYSA-N 2 2 363.458 0.374 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(O)(C[NH3+])CC1)CC2 ZINC000579711603 491703661 /nfs/dbraw/zinc/70/36/61/491703661.db2.gz RXKBKUOGMISHNG-UHFFFAOYSA-N 2 2 363.458 0.374 20 0 FCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526924 493357129 /nfs/dbraw/zinc/35/71/29/493357129.db2.gz QHZGPXZEFZUWOM-UFYCRDLUSA-N 2 2 358.486 0.921 20 0 FCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526924 493357131 /nfs/dbraw/zinc/35/71/31/493357131.db2.gz QHZGPXZEFZUWOM-UFYCRDLUSA-N 2 2 358.486 0.921 20 0 FCADLP Cn1cc([C@@H]2C[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526924 493357135 /nfs/dbraw/zinc/35/71/35/493357135.db2.gz QHZGPXZEFZUWOM-UFYCRDLUSA-N 2 2 358.486 0.921 20 0 FCADLP Cn1cc([C@@H]2C[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C[C@H]2CO)cn1 ZINC000683526924 493357138 /nfs/dbraw/zinc/35/71/38/493357138.db2.gz QHZGPXZEFZUWOM-UFYCRDLUSA-N 2 2 358.486 0.921 20 0 FCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000579948621 491710752 /nfs/dbraw/zinc/71/07/52/491710752.db2.gz POGIHVVPLKKRMG-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC000580046201 491714661 /nfs/dbraw/zinc/71/46/61/491714661.db2.gz DQSNQKCDPKXRCI-IAGOWNOFSA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC000580046201 491714662 /nfs/dbraw/zinc/71/46/62/491714662.db2.gz DQSNQKCDPKXRCI-IAGOWNOFSA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC000580046201 491714663 /nfs/dbraw/zinc/71/46/63/491714663.db2.gz DQSNQKCDPKXRCI-IAGOWNOFSA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC000580046201 491714664 /nfs/dbraw/zinc/71/46/64/491714664.db2.gz DQSNQKCDPKXRCI-IAGOWNOFSA-N 2 2 354.458 0.717 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580196712 491721377 /nfs/dbraw/zinc/72/13/77/491721377.db2.gz ZLLWSFMOMKAXTM-YQQAZPJKSA-N 2 2 362.474 0.246 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580196712 491721379 /nfs/dbraw/zinc/72/13/79/491721379.db2.gz ZLLWSFMOMKAXTM-YQQAZPJKSA-N 2 2 362.474 0.246 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNc2cc[nH+]c(N3CCOCC3)n2)CC(=O)N1C ZINC000580223930 491722486 /nfs/dbraw/zinc/72/24/86/491722486.db2.gz PUAIAXGMTXFBCT-XJKSGUPXSA-N 2 2 371.445 0.678 20 0 FCADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000580304295 491725149 /nfs/dbraw/zinc/72/51/49/491725149.db2.gz RZRALEUGUWTPRH-UHFFFAOYSA-N 2 2 365.441 0.981 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@]3(CC[N@H+](C)C3)C1)C2 ZINC000580413144 491730147 /nfs/dbraw/zinc/73/01/47/491730147.db2.gz GHSFMAJYQNUOFO-HXUWFJFHSA-N 2 2 373.501 0.982 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@]3(CC[N@@H+](C)C3)C1)C2 ZINC000580413144 491730148 /nfs/dbraw/zinc/73/01/48/491730148.db2.gz GHSFMAJYQNUOFO-HXUWFJFHSA-N 2 2 373.501 0.982 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000580414350 491730312 /nfs/dbraw/zinc/73/03/12/491730312.db2.gz PGHGZLVFOJRKDG-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000580414350 491730313 /nfs/dbraw/zinc/73/03/13/491730313.db2.gz PGHGZLVFOJRKDG-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000580431067 491730995 /nfs/dbraw/zinc/73/09/95/491730995.db2.gz BWCYNLHAVZDBIE-GJZGRUSLSA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000580431067 491730997 /nfs/dbraw/zinc/73/09/97/491730997.db2.gz BWCYNLHAVZDBIE-GJZGRUSLSA-N 2 2 361.442 0.080 20 0 FCADLP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000580645181 491739905 /nfs/dbraw/zinc/73/99/05/491739905.db2.gz ZCZYUPXBEWITBK-QGZVFWFLSA-N 2 2 366.469 0.974 20 0 FCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580772639 491745157 /nfs/dbraw/zinc/74/51/57/491745157.db2.gz MMBRQLWZDYEYAY-SFHVURJKSA-N 2 2 353.470 0.980 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000673810807 493363527 /nfs/dbraw/zinc/36/35/27/493363527.db2.gz QBFAJIBOGZTVHM-INIZCTEOSA-N 2 2 362.478 0.821 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000673810807 493363529 /nfs/dbraw/zinc/36/35/29/493363529.db2.gz QBFAJIBOGZTVHM-INIZCTEOSA-N 2 2 362.478 0.821 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000580948882 491752669 /nfs/dbraw/zinc/75/26/69/491752669.db2.gz AUPOKFWYYDHAOM-SFHVURJKSA-N 2 2 358.486 0.886 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000581149032 491761533 /nfs/dbraw/zinc/76/15/33/491761533.db2.gz RIJLRSXNCXJIAS-VQHPVUNQSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581248598 491765562 /nfs/dbraw/zinc/76/55/62/491765562.db2.gz JRZAJRDBSYMQFO-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000581311166 491768094 /nfs/dbraw/zinc/76/80/94/491768094.db2.gz JYTPVNGQINYFPG-ZDUSSCGKSA-N 2 2 358.364 0.537 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000581311166 491768096 /nfs/dbraw/zinc/76/80/96/491768096.db2.gz JYTPVNGQINYFPG-ZDUSSCGKSA-N 2 2 358.364 0.537 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000581874607 491788283 /nfs/dbraw/zinc/78/82/83/491788283.db2.gz WKZVWVDBNDBZAZ-NXOAAHMSSA-N 2 2 366.506 0.250 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@H](C)O1 ZINC000581880246 491788453 /nfs/dbraw/zinc/78/84/53/491788453.db2.gz YYZLSNDPHPCOSK-YNDDDKNDSA-N 2 2 351.447 0.677 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@H](C)O1 ZINC000581880246 491788455 /nfs/dbraw/zinc/78/84/55/491788455.db2.gz YYZLSNDPHPCOSK-YNDDDKNDSA-N 2 2 351.447 0.677 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000590954132 491789921 /nfs/dbraw/zinc/78/99/21/491789921.db2.gz UZPMXFXPFKIZDJ-GOSISDBHSA-N 2 2 369.554 0.670 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000590954132 491789922 /nfs/dbraw/zinc/78/99/22/491789922.db2.gz UZPMXFXPFKIZDJ-GOSISDBHSA-N 2 2 369.554 0.670 20 0 FCADLP Cc1ccc2nc(C[NH+]3CCC([N@@H+]4CCC[C@H]4C(N)=O)CC3)cc(=O)n2c1 ZINC000591080948 491795932 /nfs/dbraw/zinc/79/59/32/491795932.db2.gz WDTTYBFJRXXEJR-KRWDZBQOSA-N 2 2 369.469 0.917 20 0 FCADLP Cc1ccc2nc(C[NH+]3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)cc(=O)n2c1 ZINC000591080948 491795933 /nfs/dbraw/zinc/79/59/33/491795933.db2.gz WDTTYBFJRXXEJR-KRWDZBQOSA-N 2 2 369.469 0.917 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000582075723 491796953 /nfs/dbraw/zinc/79/69/53/491796953.db2.gz MNGZJXZIGCOPHH-KGLIPLIRSA-N 2 2 368.522 0.637 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+](C)C1 ZINC000591149809 491797604 /nfs/dbraw/zinc/79/76/04/491797604.db2.gz DYHNYOPSYMZPDC-QGZVFWFLSA-N 2 2 360.458 0.748 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+](C)C1 ZINC000591149809 491797606 /nfs/dbraw/zinc/79/76/06/491797606.db2.gz DYHNYOPSYMZPDC-QGZVFWFLSA-N 2 2 360.458 0.748 20 0 FCADLP CC[N@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1Cl ZINC000582312390 491807086 /nfs/dbraw/zinc/80/70/86/491807086.db2.gz WIFQONICKXMBAQ-HOCLYGCPSA-N 2 2 364.877 0.932 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)Cc1ccccc1Cl ZINC000582312390 491807088 /nfs/dbraw/zinc/80/70/88/491807088.db2.gz WIFQONICKXMBAQ-HOCLYGCPSA-N 2 2 364.877 0.932 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000591553614 491807874 /nfs/dbraw/zinc/80/78/74/491807874.db2.gz KBPODMCFGXMQDB-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC000591553614 491807875 /nfs/dbraw/zinc/80/78/75/491807875.db2.gz KBPODMCFGXMQDB-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662456043 493517122 /nfs/dbraw/zinc/51/71/22/493517122.db2.gz ULEVWVWIDLCTBV-RISCZKNCSA-N 2 2 355.280 0.811 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591633147 491813506 /nfs/dbraw/zinc/81/35/06/491813506.db2.gz OLBYNXHZBSNZJO-ULQDDVLXSA-N 2 2 354.495 0.602 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662456043 493517123 /nfs/dbraw/zinc/51/71/23/493517123.db2.gz ULEVWVWIDLCTBV-RISCZKNCSA-N 2 2 355.280 0.811 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CCN2C1=O ZINC000582916108 491832278 /nfs/dbraw/zinc/83/22/78/491832278.db2.gz RPLFXOKJGIMLTE-CABCVRRESA-N 2 2 354.414 0.326 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000582963099 491834203 /nfs/dbraw/zinc/83/42/03/491834203.db2.gz KEJVQBQWBLQXFT-OKILXGFUSA-N 2 2 364.494 0.692 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000582963099 491834204 /nfs/dbraw/zinc/83/42/04/491834204.db2.gz KEJVQBQWBLQXFT-OKILXGFUSA-N 2 2 364.494 0.692 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000583088158 491837703 /nfs/dbraw/zinc/83/77/03/491837703.db2.gz VMSXIVOPTUMLJL-UHFFFAOYSA-N 2 2 361.490 0.726 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000583178119 491839799 /nfs/dbraw/zinc/83/97/99/491839799.db2.gz VLSQFLRSPXUCDQ-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCO1 ZINC000583178119 491839800 /nfs/dbraw/zinc/83/98/00/491839800.db2.gz VLSQFLRSPXUCDQ-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@H]3CC[NH2+]C[C@H]3C1)C2 ZINC000583257121 491841104 /nfs/dbraw/zinc/84/11/04/491841104.db2.gz IKSYSFIZTXAIIF-KGLIPLIRSA-N 2 2 359.474 0.496 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000583282542 491841550 /nfs/dbraw/zinc/84/15/50/491841550.db2.gz HAQGVFIUIVNPQH-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H](C)O1 ZINC000583748072 491851215 /nfs/dbraw/zinc/85/12/15/491851215.db2.gz POXGPRYNODJCDP-JTDSTZFVSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H](C)O1 ZINC000583748072 491851216 /nfs/dbraw/zinc/85/12/16/491851216.db2.gz POXGPRYNODJCDP-JTDSTZFVSA-N 2 2 359.474 0.886 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000583761302 491851422 /nfs/dbraw/zinc/85/14/22/491851422.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@H](O)C[N@H+](C)CC)C[C@H]1C ZINC000583761302 491851423 /nfs/dbraw/zinc/85/14/23/491851423.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761302 491851424 /nfs/dbraw/zinc/85/14/24/491851424.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@@H](O)CN1C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761302 491851425 /nfs/dbraw/zinc/85/14/25/491851425.db2.gz NELXGHKYUKQQLC-FGTMMUONSA-N 3 2 358.571 0.396 20 0 FCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583802432 491852181 /nfs/dbraw/zinc/85/21/81/491852181.db2.gz IIOFXCAKYTUDAJ-QZWWFDLISA-N 2 2 364.490 0.099 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)nn1 ZINC000583862543 491853643 /nfs/dbraw/zinc/85/36/43/491853643.db2.gz MHPCMGHNYUIXHR-OAHLLOKOSA-N 2 2 363.466 0.532 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)nn1 ZINC000583862543 491853644 /nfs/dbraw/zinc/85/36/44/491853644.db2.gz MHPCMGHNYUIXHR-OAHLLOKOSA-N 2 2 363.466 0.532 20 0 FCADLP CN1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C[NH3+])C1 ZINC000583920790 491854649 /nfs/dbraw/zinc/85/46/49/491854649.db2.gz IUCZKAZATJSEDZ-ZWKOTPCHSA-N 2 2 361.490 0.172 20 0 FCADLP CN1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C[NH3+])C1 ZINC000583920790 491854650 /nfs/dbraw/zinc/85/46/50/491854650.db2.gz IUCZKAZATJSEDZ-ZWKOTPCHSA-N 2 2 361.490 0.172 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611690543 491868849 /nfs/dbraw/zinc/86/88/49/491868849.db2.gz HUIZOLNTPYXXLA-SJORKVTESA-N 2 2 367.453 0.705 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611690543 491868851 /nfs/dbraw/zinc/86/88/51/491868851.db2.gz HUIZOLNTPYXXLA-SJORKVTESA-N 2 2 367.453 0.705 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876005 491869913 /nfs/dbraw/zinc/86/99/13/491869913.db2.gz YODIPRCITKPXPD-DLBZAZTESA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000594876005 491869915 /nfs/dbraw/zinc/86/99/15/491869915.db2.gz YODIPRCITKPXPD-DLBZAZTESA-N 2 2 360.458 0.083 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000600720818 491878811 /nfs/dbraw/zinc/87/88/11/491878811.db2.gz ICCLFDVPLRWJEA-WOPDTQHZSA-N 2 2 351.369 0.610 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000600720818 491878812 /nfs/dbraw/zinc/87/88/12/491878812.db2.gz ICCLFDVPLRWJEA-WOPDTQHZSA-N 2 2 351.369 0.610 20 0 FCADLP O=C(CC[NH2+]C[C@H]1CNc2ccnn2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000595153870 491890649 /nfs/dbraw/zinc/89/06/49/491890649.db2.gz PROCOACFWYWTOG-INIZCTEOSA-N 2 2 369.473 0.648 20 0 FCADLP C[NH+]1CCN(CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000600992436 491891969 /nfs/dbraw/zinc/89/19/69/491891969.db2.gz RJTLCKBJGMNNRA-IBGZPJMESA-N 2 2 359.518 0.339 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000600999942 491892370 /nfs/dbraw/zinc/89/23/70/491892370.db2.gz LOVYGJBXWGQTLQ-INIZCTEOSA-N 2 2 359.474 0.884 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000600999942 491892372 /nfs/dbraw/zinc/89/23/72/491892372.db2.gz LOVYGJBXWGQTLQ-INIZCTEOSA-N 2 2 359.474 0.884 20 0 FCADLP C[NH+]1CCN(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000601037455 491894293 /nfs/dbraw/zinc/89/42/93/491894293.db2.gz FNFUUYBLPNGNNP-IBGZPJMESA-N 2 2 360.502 0.294 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612044816 491894607 /nfs/dbraw/zinc/89/46/07/491894607.db2.gz OQPPJGGSCPDSLH-BBWFWOEESA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612044816 491894609 /nfs/dbraw/zinc/89/46/09/491894609.db2.gz OQPPJGGSCPDSLH-BBWFWOEESA-N 2 2 364.490 0.053 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000601043307 491895138 /nfs/dbraw/zinc/89/51/38/491895138.db2.gz DAQMRYLDYMYDJJ-UHFFFAOYSA-N 2 2 374.485 0.365 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442913 491918337 /nfs/dbraw/zinc/91/83/37/491918337.db2.gz CCYYLEHNJMKVEG-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612442913 491918339 /nfs/dbraw/zinc/91/83/39/491918339.db2.gz CCYYLEHNJMKVEG-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612442913 491918341 /nfs/dbraw/zinc/91/83/41/491918341.db2.gz CCYYLEHNJMKVEG-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612442913 491918342 /nfs/dbraw/zinc/91/83/42/491918342.db2.gz CCYYLEHNJMKVEG-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454348 491919573 /nfs/dbraw/zinc/91/95/73/491919573.db2.gz SMVFPRRIQJAXJT-DLBZAZTESA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000612454348 491919576 /nfs/dbraw/zinc/91/95/76/491919576.db2.gz SMVFPRRIQJAXJT-DLBZAZTESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000612484889 491924664 /nfs/dbraw/zinc/92/46/64/491924664.db2.gz IRAFKDKWVFKVAQ-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391368 491927573 /nfs/dbraw/zinc/92/75/73/491927573.db2.gz IWXHIHCRAZZZBH-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)CCN1CC[C@@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000595391368 491927576 /nfs/dbraw/zinc/92/75/76/491927576.db2.gz IWXHIHCRAZZZBH-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)CCN1CC[C@@H](N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000595391368 491927579 /nfs/dbraw/zinc/92/75/79/491927579.db2.gz IWXHIHCRAZZZBH-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)CCN1CC[C@@H](N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000595391368 491927583 /nfs/dbraw/zinc/92/75/83/491927583.db2.gz IWXHIHCRAZZZBH-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000612543584 491931643 /nfs/dbraw/zinc/93/16/43/491931643.db2.gz QYJYELKOQOZNQS-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000612543584 491931645 /nfs/dbraw/zinc/93/16/45/491931645.db2.gz QYJYELKOQOZNQS-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000612543584 491931647 /nfs/dbraw/zinc/93/16/47/491931647.db2.gz QYJYELKOQOZNQS-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000612543584 491931649 /nfs/dbraw/zinc/93/16/49/491931649.db2.gz QYJYELKOQOZNQS-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000612548418 491932952 /nfs/dbraw/zinc/93/29/52/491932952.db2.gz NBSSHNNBCZXAKO-WMZOPIPTSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000612548418 491932954 /nfs/dbraw/zinc/93/29/54/491932954.db2.gz NBSSHNNBCZXAKO-WMZOPIPTSA-N 2 2 373.501 0.887 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000612551825 491933831 /nfs/dbraw/zinc/93/38/31/491933831.db2.gz KROXFZSVDFBLJB-MRXNPFEDSA-N 2 2 364.515 0.993 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000612551825 491933833 /nfs/dbraw/zinc/93/38/33/491933833.db2.gz KROXFZSVDFBLJB-MRXNPFEDSA-N 2 2 364.515 0.993 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758019 491949365 /nfs/dbraw/zinc/94/93/65/491949365.db2.gz CXIVFJOXORGMDS-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000612758019 491949367 /nfs/dbraw/zinc/94/93/67/491949367.db2.gz CXIVFJOXORGMDS-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000612758019 491949370 /nfs/dbraw/zinc/94/93/70/491949370.db2.gz CXIVFJOXORGMDS-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000612758019 491949371 /nfs/dbraw/zinc/94/93/71/491949371.db2.gz CXIVFJOXORGMDS-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@]1(NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612876313 491956533 /nfs/dbraw/zinc/95/65/33/491956533.db2.gz MBMVSDUYRRBBJT-LJQANCHMSA-N 2 2 362.474 0.949 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612962944 491959947 /nfs/dbraw/zinc/95/99/47/491959947.db2.gz KKMFIBWYQUMDPN-AWEZNQCLSA-N 2 2 370.461 0.337 20 0 FCADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1OCC(=O)N(C)C ZINC000613361681 491978923 /nfs/dbraw/zinc/97/89/23/491978923.db2.gz ZEUCQONVVCPFEP-MRXNPFEDSA-N 2 2 365.474 0.709 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000602330839 491979352 /nfs/dbraw/zinc/97/93/52/491979352.db2.gz UEMWQNJYOBMUES-QGZVFWFLSA-N 2 2 372.517 0.978 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000602330839 491979353 /nfs/dbraw/zinc/97/93/53/491979353.db2.gz UEMWQNJYOBMUES-QGZVFWFLSA-N 2 2 372.517 0.978 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523077 491991272 /nfs/dbraw/zinc/99/12/72/491991272.db2.gz BXUORJGSLHKVKH-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523077 491991274 /nfs/dbraw/zinc/99/12/74/491991274.db2.gz BXUORJGSLHKVKH-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523077 491991275 /nfs/dbraw/zinc/99/12/75/491991275.db2.gz BXUORJGSLHKVKH-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523077 491991277 /nfs/dbraw/zinc/99/12/77/491991277.db2.gz BXUORJGSLHKVKH-HOTGVXAUSA-N 2 2 374.489 0.350 20 0 FCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000603066294 492014142 /nfs/dbraw/zinc/01/41/42/492014142.db2.gz IMBHFWDDRFRPRG-IRXDYDNUSA-N 2 2 369.506 0.923 20 0 FCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000603066294 492014144 /nfs/dbraw/zinc/01/41/44/492014144.db2.gz IMBHFWDDRFRPRG-IRXDYDNUSA-N 2 2 369.506 0.923 20 0 FCADLP COC(=O)[C@@H]([NH3+])Cc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000603253937 492021344 /nfs/dbraw/zinc/02/13/44/492021344.db2.gz GTELFCCJIKFRFK-KRWDZBQOSA-N 2 2 359.430 0.201 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163649 492052084 /nfs/dbraw/zinc/05/20/84/492052084.db2.gz NOCQCZARHSABOA-WBVHZDCISA-N 2 2 359.474 0.681 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000604163649 492052087 /nfs/dbraw/zinc/05/20/87/492052087.db2.gz NOCQCZARHSABOA-WBVHZDCISA-N 2 2 359.474 0.681 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604180377 492053283 /nfs/dbraw/zinc/05/32/83/492053283.db2.gz IBPKLIHUVAHXQR-YOEHRIQHSA-N 2 2 354.520 0.730 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604180377 492053284 /nfs/dbraw/zinc/05/32/84/492053284.db2.gz IBPKLIHUVAHXQR-YOEHRIQHSA-N 2 2 354.520 0.730 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC(=O)NC(C)(C)C)C2)CC1 ZINC000604190624 492053781 /nfs/dbraw/zinc/05/37/81/492053781.db2.gz NITAEZCSBPDZOZ-AWEZNQCLSA-N 2 2 353.511 0.759 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC(=O)NC(C)(C)C)C2)CC1 ZINC000604190624 492053783 /nfs/dbraw/zinc/05/37/83/492053783.db2.gz NITAEZCSBPDZOZ-AWEZNQCLSA-N 2 2 353.511 0.759 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)CC1 ZINC000604188900 492053854 /nfs/dbraw/zinc/05/38/54/492053854.db2.gz ONDQFPFNWLVXAX-KRWDZBQOSA-N 2 2 373.501 0.796 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)CC1 ZINC000604188900 492053855 /nfs/dbraw/zinc/05/38/55/492053855.db2.gz ONDQFPFNWLVXAX-KRWDZBQOSA-N 2 2 373.501 0.796 20 0 FCADLP CN(c1ncnc2n[nH]cc21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000597948922 492074810 /nfs/dbraw/zinc/07/48/10/492074810.db2.gz MMSHEZWSBOIYQE-UHFFFAOYSA-N 2 2 372.477 0.028 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@H]([NH+]3CCOCC3)C1)n2C ZINC000615543606 492093779 /nfs/dbraw/zinc/09/37/79/492093779.db2.gz LCNAEXOSVLNCDS-AWEZNQCLSA-N 2 2 372.473 0.971 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605520008 492097081 /nfs/dbraw/zinc/09/70/81/492097081.db2.gz IKCUCJDZPPKHDI-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000605846552 492104359 /nfs/dbraw/zinc/10/43/59/492104359.db2.gz VQVFCQJYASZLIE-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000605846552 492104360 /nfs/dbraw/zinc/10/43/60/492104360.db2.gz VQVFCQJYASZLIE-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC000616215853 492121286 /nfs/dbraw/zinc/12/12/86/492121286.db2.gz RHWHJOZZGJSLHD-HNNXBMFYSA-N 2 2 362.474 0.821 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)CC2 ZINC000616215853 492121288 /nfs/dbraw/zinc/12/12/88/492121288.db2.gz RHWHJOZZGJSLHD-HNNXBMFYSA-N 2 2 362.474 0.821 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633825 492125316 /nfs/dbraw/zinc/12/53/16/492125316.db2.gz WMWLPQNTXPGUQO-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000606633825 492125317 /nfs/dbraw/zinc/12/53/17/492125317.db2.gz WMWLPQNTXPGUQO-DLBZAZTESA-N 2 2 355.527 0.278 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000606716224 492127730 /nfs/dbraw/zinc/12/77/30/492127730.db2.gz NSQWLAPPDLXBTP-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 ZINC000616381591 492128489 /nfs/dbraw/zinc/12/84/89/492128489.db2.gz VIKMGLGYVWEURY-OAHLLOKOSA-N 2 2 374.551 0.333 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 ZINC000616381591 492128490 /nfs/dbraw/zinc/12/84/90/492128490.db2.gz VIKMGLGYVWEURY-OAHLLOKOSA-N 2 2 374.551 0.333 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000599084330 492134088 /nfs/dbraw/zinc/13/40/88/492134088.db2.gz APYUMKVKOSUKLN-GOEBONIOSA-N 2 2 355.479 0.223 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000599084330 492134091 /nfs/dbraw/zinc/13/40/91/492134091.db2.gz APYUMKVKOSUKLN-GOEBONIOSA-N 2 2 355.479 0.223 20 0 FCADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607391028 492145437 /nfs/dbraw/zinc/14/54/37/492145437.db2.gz VMVJVNOUKHQTIQ-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607391028 492145438 /nfs/dbraw/zinc/14/54/38/492145438.db2.gz VMVJVNOUKHQTIQ-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000608629236 492182910 /nfs/dbraw/zinc/18/29/10/492182910.db2.gz HVOVUJDQOAVUFE-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000608629236 492182911 /nfs/dbraw/zinc/18/29/11/492182911.db2.gz HVOVUJDQOAVUFE-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1F ZINC000617768602 492190416 /nfs/dbraw/zinc/19/04/16/492190416.db2.gz LSWOJVLBYHMLNH-UHFFFAOYSA-N 2 2 374.482 0.104 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1F ZINC000617768602 492190419 /nfs/dbraw/zinc/19/04/19/492190419.db2.gz LSWOJVLBYHMLNH-UHFFFAOYSA-N 2 2 374.482 0.104 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000618401252 492228050 /nfs/dbraw/zinc/22/80/50/492228050.db2.gz PDFHLFQUHCUGFM-MRXNPFEDSA-N 2 2 374.551 0.285 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000618401252 492228052 /nfs/dbraw/zinc/22/80/52/492228052.db2.gz PDFHLFQUHCUGFM-MRXNPFEDSA-N 2 2 374.551 0.285 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250358 492239344 /nfs/dbraw/zinc/23/93/44/492239344.db2.gz WRJNNMJZHBDXBD-FUHWJXTLSA-N 2 2 360.506 0.626 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000610250358 492239345 /nfs/dbraw/zinc/23/93/45/492239345.db2.gz WRJNNMJZHBDXBD-FUHWJXTLSA-N 2 2 360.506 0.626 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000610908480 492269133 /nfs/dbraw/zinc/26/91/33/492269133.db2.gz VESBTJSYVYBMKK-RCCFBDPRSA-N 2 2 367.538 0.515 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000610908480 492269135 /nfs/dbraw/zinc/26/91/35/492269135.db2.gz VESBTJSYVYBMKK-RCCFBDPRSA-N 2 2 367.538 0.515 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000611180976 492280739 /nfs/dbraw/zinc/28/07/39/492280739.db2.gz OHKHMXTZTJVWQY-UHFFFAOYSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](O)CNc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719011 492298443 /nfs/dbraw/zinc/29/84/43/492298443.db2.gz IWBKMKOXELCDNM-HZPDHXFCSA-N 2 2 364.494 0.478 20 0 FCADLP C[C@@H](O)CNc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000641719011 492298447 /nfs/dbraw/zinc/29/84/47/492298447.db2.gz IWBKMKOXELCDNM-HZPDHXFCSA-N 2 2 364.494 0.478 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)Cc3cnn(C)c3)c2cc1C ZINC000647537533 492303869 /nfs/dbraw/zinc/30/38/69/492303869.db2.gz MDJQQMZMCGMUBO-DLBZAZTESA-N 2 2 357.458 0.941 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000627473706 492311964 /nfs/dbraw/zinc/31/19/64/492311964.db2.gz UAOVHEISVDDQGS-KRWDZBQOSA-N 2 2 374.485 0.214 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000627473706 492311966 /nfs/dbraw/zinc/31/19/66/492311966.db2.gz UAOVHEISVDDQGS-KRWDZBQOSA-N 2 2 374.485 0.214 20 0 FCADLP Cc1nn(C)c(=O)c(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1C ZINC000634196198 492325753 /nfs/dbraw/zinc/32/57/53/492325753.db2.gz OUJFZTYEUHHDDX-UHFFFAOYSA-N 2 2 356.430 0.796 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504148 492325928 /nfs/dbraw/zinc/32/59/28/492325928.db2.gz XYQAQXZYLZBWLA-MRXNPFEDSA-N 2 2 359.474 0.625 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1=O ZINC000634196417 492326677 /nfs/dbraw/zinc/32/66/77/492326677.db2.gz VTXXCMKKMZYPRX-HNNXBMFYSA-N 3 2 374.489 0.182 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3CCS(=O)(=O)CC3)c2)CC1 ZINC000634195777 492326736 /nfs/dbraw/zinc/32/67/36/492326736.db2.gz DRCWNLLGWGHRGG-UHFFFAOYSA-N 2 2 352.460 0.597 20 0 FCADLP COCC(=O)N[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)C ZINC000634196403 492326800 /nfs/dbraw/zinc/32/68/00/492326800.db2.gz VGJNBWYPYGKOID-KRWDZBQOSA-N 2 2 363.462 0.559 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000647691688 492345822 /nfs/dbraw/zinc/34/58/22/492345822.db2.gz YUIWWPDPUTYRDB-CABCVRRESA-N 2 2 351.451 0.366 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000647691688 492345827 /nfs/dbraw/zinc/34/58/27/492345827.db2.gz YUIWWPDPUTYRDB-CABCVRRESA-N 2 2 351.451 0.366 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000642257065 492346643 /nfs/dbraw/zinc/34/66/43/492346643.db2.gz OMIUEZPFWGFYSZ-DZGCQCFKSA-N 2 2 364.515 0.808 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000642257065 492346646 /nfs/dbraw/zinc/34/66/46/492346646.db2.gz OMIUEZPFWGFYSZ-DZGCQCFKSA-N 2 2 364.515 0.808 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(CCN(CCO)C(=O)C[NH+](C)C)cc1 ZINC000647704472 492347352 /nfs/dbraw/zinc/34/73/52/492347352.db2.gz JFGGMZXWJMQNHX-UHFFFAOYSA-N 2 2 350.463 0.112 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327572 492351329 /nfs/dbraw/zinc/35/13/29/492351329.db2.gz NBOZGZCXCBCCML-BBRMVZONSA-N 2 2 360.458 0.348 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000642327643 492351517 /nfs/dbraw/zinc/35/15/17/492351517.db2.gz SSTILAILMHSJJL-BMGDILEWSA-N 2 2 356.470 0.623 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345405 492353595 /nfs/dbraw/zinc/35/35/95/492353595.db2.gz LMMQXECJASFYLD-OAHLLOKOSA-N 3 2 365.522 0.049 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000642345405 492353599 /nfs/dbraw/zinc/35/35/99/492353599.db2.gz LMMQXECJASFYLD-OAHLLOKOSA-N 3 2 365.522 0.049 20 0 FCADLP Cn1nc2c(cc1=O)C[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC000634644839 492357369 /nfs/dbraw/zinc/35/73/69/492357369.db2.gz BTSCOFQWPRTHBH-HXUWFJFHSA-N 2 2 354.454 0.775 20 0 FCADLP Cn1nc2c(cc1=O)C[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000634644839 492357371 /nfs/dbraw/zinc/35/73/71/492357371.db2.gz BTSCOFQWPRTHBH-HXUWFJFHSA-N 2 2 354.454 0.775 20 0 FCADLP Cn1nc2c(cc1=O)C[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000634644839 492357372 /nfs/dbraw/zinc/35/73/72/492357372.db2.gz BTSCOFQWPRTHBH-HXUWFJFHSA-N 2 2 354.454 0.775 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000642481255 492359184 /nfs/dbraw/zinc/35/91/84/492359184.db2.gz RNDBANWGAXAYIY-CYBMUJFWSA-N 2 2 367.881 0.042 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@@H]1[NH3+] ZINC000642638951 492368396 /nfs/dbraw/zinc/36/83/96/492368396.db2.gz XYOSZNIFLANZES-HOCLYGCPSA-N 2 2 357.458 0.887 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000647829765 492369174 /nfs/dbraw/zinc/36/91/74/492369174.db2.gz VLRSFKPJYNQGIT-KGLIPLIRSA-N 2 2 368.503 0.981 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000647829765 492369177 /nfs/dbraw/zinc/36/91/77/492369177.db2.gz VLRSFKPJYNQGIT-KGLIPLIRSA-N 2 2 368.503 0.981 20 0 FCADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+](C)CCN3CC[NH2+]CC3)n12 ZINC000647835823 492370380 /nfs/dbraw/zinc/37/03/80/492370380.db2.gz QJEBLNHFFPQLMY-UHFFFAOYSA-N 2 2 369.473 0.227 20 0 FCADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+](C)CCN3CC[NH2+]CC3)n12 ZINC000647835823 492370381 /nfs/dbraw/zinc/37/03/81/492370381.db2.gz QJEBLNHFFPQLMY-UHFFFAOYSA-N 2 2 369.473 0.227 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728676 492381741 /nfs/dbraw/zinc/38/17/41/492381741.db2.gz SYYJQECZZJAEMZ-TUKIKUTGSA-N 2 2 368.865 0.291 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728676 492381745 /nfs/dbraw/zinc/38/17/45/492381745.db2.gz SYYJQECZZJAEMZ-TUKIKUTGSA-N 2 2 368.865 0.291 20 0 FCADLP COc1ccc(CC(=O)N2CC[NH+](C)CC2)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000635056519 492383924 /nfs/dbraw/zinc/38/39/24/492383924.db2.gz CYIMOPJHZUEWGM-UHFFFAOYSA-N 2 2 374.485 0.399 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@H]1[NH3+] ZINC000647938424 492385434 /nfs/dbraw/zinc/38/54/34/492385434.db2.gz MVMFHQOQYYSVPF-DZGCQCFKSA-N 2 2 368.503 0.949 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@H]1[NH3+] ZINC000647938424 492385435 /nfs/dbraw/zinc/38/54/35/492385435.db2.gz MVMFHQOQYYSVPF-DZGCQCFKSA-N 2 2 368.503 0.949 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642754755 492386760 /nfs/dbraw/zinc/38/67/60/492386760.db2.gz JPEMOWROUQXISQ-KRWDZBQOSA-N 2 2 373.501 0.183 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(N2CCCC2)[nH+]1 ZINC000642778873 492389323 /nfs/dbraw/zinc/38/93/23/492389323.db2.gz OLCQPPZKMPVIJO-HUUCEWRRSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978797 492389780 /nfs/dbraw/zinc/38/97/80/492389780.db2.gz YGMLSXZDCZVVFW-KLHDSHLOSA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978797 492389784 /nfs/dbraw/zinc/38/97/84/492389784.db2.gz YGMLSXZDCZVVFW-KLHDSHLOSA-N 2 2 357.520 0.390 20 0 FCADLP Cc1cc(N2CCC[C@@H](N3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000647991148 492391364 /nfs/dbraw/zinc/39/13/64/492391364.db2.gz DCCZNONGIKFZSF-DLBZAZTESA-N 2 2 360.506 0.451 20 0 FCADLP Cc1cc(N2CCC[C@@H]([NH+]3CCN(C[C@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000647991148 492391366 /nfs/dbraw/zinc/39/13/66/492391366.db2.gz DCCZNONGIKFZSF-DLBZAZTESA-N 2 2 360.506 0.451 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000642893377 492397534 /nfs/dbraw/zinc/39/75/34/492397534.db2.gz YLUMJAOPZUFNNL-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000642908525 492401261 /nfs/dbraw/zinc/40/12/61/492401261.db2.gz VQUQHGVQGMMEMM-ZDUSSCGKSA-N 2 2 352.866 0.838 20 0 FCADLP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000642908525 492401267 /nfs/dbraw/zinc/40/12/67/492401267.db2.gz VQUQHGVQGMMEMM-ZDUSSCGKSA-N 2 2 352.866 0.838 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000642907300 492401664 /nfs/dbraw/zinc/40/16/64/492401664.db2.gz UTDIJZFDHMHZJX-UHFFFAOYSA-N 2 2 350.488 0.778 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000642981114 492410404 /nfs/dbraw/zinc/41/04/04/492410404.db2.gz UIJYCTMDXVNHRZ-SFHVURJKSA-N 2 2 358.486 0.898 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000635223158 492420174 /nfs/dbraw/zinc/42/01/74/492420174.db2.gz PQXJTFPPNMEZIY-UHFFFAOYSA-N 2 2 362.474 0.893 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000621838668 492421162 /nfs/dbraw/zinc/42/11/62/492421162.db2.gz HLASFMWNXJFTKE-LIRRHRJNSA-N 2 2 371.416 0.967 20 0 FCADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC1CC([NH+]2CCOCC2)C1 ZINC000627932842 492423391 /nfs/dbraw/zinc/42/33/91/492423391.db2.gz FTQDDYIWAKXGOO-UHFFFAOYSA-N 2 2 373.501 0.573 20 0 FCADLP C[C@H]1[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000643397681 492448093 /nfs/dbraw/zinc/44/80/93/492448093.db2.gz INUARRBAQOMLCN-KLHDSHLOSA-N 2 2 350.507 0.774 20 0 FCADLP C[C@H]1[C@@H](C)N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000643397681 492448094 /nfs/dbraw/zinc/44/80/94/492448094.db2.gz INUARRBAQOMLCN-KLHDSHLOSA-N 2 2 350.507 0.774 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCO[C@H]3C)CC2)CC1 ZINC000643401860 492448913 /nfs/dbraw/zinc/44/89/13/492448913.db2.gz BNTZNONAIDHUKO-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCO[C@H]3C)CC2)CC1 ZINC000643401860 492448916 /nfs/dbraw/zinc/44/89/16/492448916.db2.gz BNTZNONAIDHUKO-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCO[C@@H]3C)CC2)CC1 ZINC000643401859 492449514 /nfs/dbraw/zinc/44/95/14/492449514.db2.gz BNTZNONAIDHUKO-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCO[C@@H]3C)CC2)CC1 ZINC000643401859 492449518 /nfs/dbraw/zinc/44/95/18/492449518.db2.gz BNTZNONAIDHUKO-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+]3CC[C@H](O)C3)c2C1 ZINC000628104153 492464972 /nfs/dbraw/zinc/46/49/72/492464972.db2.gz JBJGNZFJCNIHEI-HNNXBMFYSA-N 2 2 360.458 0.534 20 0 FCADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+]3CC[C@H](O)C3)c2C1 ZINC000628104153 492464976 /nfs/dbraw/zinc/46/49/76/492464976.db2.gz JBJGNZFJCNIHEI-HNNXBMFYSA-N 2 2 360.458 0.534 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](O)C3)c2C1 ZINC000628104153 492464979 /nfs/dbraw/zinc/46/49/79/492464979.db2.gz JBJGNZFJCNIHEI-HNNXBMFYSA-N 2 2 360.458 0.534 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](O)C3)c2C1 ZINC000628104153 492464984 /nfs/dbraw/zinc/46/49/84/492464984.db2.gz JBJGNZFJCNIHEI-HNNXBMFYSA-N 2 2 360.458 0.534 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000643476788 492473577 /nfs/dbraw/zinc/47/35/77/492473577.db2.gz WFZRSBCPNUVJIL-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643477171 492473981 /nfs/dbraw/zinc/47/39/81/492473981.db2.gz SNKLOUPMHHGIJI-MOPGFXCFSA-N 2 2 370.497 0.850 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000643476928 492474012 /nfs/dbraw/zinc/47/40/12/492474012.db2.gz FIHREBLJDZZWDZ-RTBURBONSA-N 2 2 370.497 0.707 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000643478330 492474033 /nfs/dbraw/zinc/47/40/33/492474033.db2.gz CMQGJCRZKSEDFB-MSOLQXFVSA-N 2 2 358.486 0.958 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000643478330 492474035 /nfs/dbraw/zinc/47/40/35/492474035.db2.gz CMQGJCRZKSEDFB-MSOLQXFVSA-N 2 2 358.486 0.958 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000643477057 492474457 /nfs/dbraw/zinc/47/44/57/492474457.db2.gz ZWJZNRFFLVNUAU-KDURUIRLSA-N 2 2 370.497 0.992 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000643479755 492475972 /nfs/dbraw/zinc/47/59/72/492475972.db2.gz VJTMXLQYOGBHAC-JKSUJKDBSA-N 2 2 364.515 0.978 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655735882 492478693 /nfs/dbraw/zinc/47/86/93/492478693.db2.gz ZGYIQWMSSKOGRQ-AWEZNQCLSA-N 2 2 359.517 0.869 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000655709973 492478714 /nfs/dbraw/zinc/47/87/14/492478714.db2.gz QWGDDDNMYKLQRG-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709973 492478715 /nfs/dbraw/zinc/47/87/15/492478715.db2.gz QWGDDDNMYKLQRG-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000655709973 492478716 /nfs/dbraw/zinc/47/87/16/492478716.db2.gz QWGDDDNMYKLQRG-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000655709973 492478717 /nfs/dbraw/zinc/47/87/17/492478717.db2.gz QWGDDDNMYKLQRG-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643508399 492484625 /nfs/dbraw/zinc/48/46/25/492484625.db2.gz AEVWNGNBRAKUDN-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635655749 492487060 /nfs/dbraw/zinc/48/70/60/492487060.db2.gz QZBQJAAFQFKEJP-CQSZACIVSA-N 2 2 356.492 0.584 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643516443 492487250 /nfs/dbraw/zinc/48/72/50/492487250.db2.gz CZHXNRULYKWDAE-JFIYKMOQSA-N 2 2 371.485 0.497 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000643516580 492487401 /nfs/dbraw/zinc/48/74/01/492487401.db2.gz VOHJMNGBPDUTIS-KBAYOESNSA-N 2 2 371.485 0.355 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC[C@H]1[NH3+] ZINC000643524412 492490293 /nfs/dbraw/zinc/49/02/93/492490293.db2.gz WWVBSZWPXYZQRM-HZPDHXFCSA-N 2 2 354.495 0.141 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000635685716 492491139 /nfs/dbraw/zinc/49/11/39/492491139.db2.gz ORKLRLQLUOWDCC-QGZVFWFLSA-N 2 2 369.506 0.295 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H](C)C[NH2+]1 ZINC000643581074 492499647 /nfs/dbraw/zinc/49/96/47/492499647.db2.gz IORIRDBHAOIKLH-KBPBESRZSA-N 2 2 350.488 0.601 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000628575339 492519994 /nfs/dbraw/zinc/51/99/94/492519994.db2.gz CENUGGKFDSEWKR-IBGZPJMESA-N 2 2 362.474 0.494 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000628575339 492519997 /nfs/dbraw/zinc/51/99/97/492519997.db2.gz CENUGGKFDSEWKR-IBGZPJMESA-N 2 2 362.474 0.494 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649280969 492520187 /nfs/dbraw/zinc/52/01/87/492520187.db2.gz ZJGKJLMYIRVWSN-KRWDZBQOSA-N 2 2 370.457 0.575 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccccc2-n2cc[nH+]c2)nn1 ZINC000649287490 492522355 /nfs/dbraw/zinc/52/23/55/492522355.db2.gz JYEWIUIYDAUQAU-SUMWQHHRSA-N 2 2 367.413 0.804 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)c1ccc(C[NH3+])o1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301072 492526736 /nfs/dbraw/zinc/52/67/36/492526736.db2.gz DRRVDJMJBWWPKV-CJNGLKHVSA-N 2 2 366.462 0.331 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305465 492542552 /nfs/dbraw/zinc/54/25/52/492542552.db2.gz SFBJNJOAHTYJIA-OWCLPIDISA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305465 492542556 /nfs/dbraw/zinc/54/25/56/492542556.db2.gz SFBJNJOAHTYJIA-OWCLPIDISA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305464 492542948 /nfs/dbraw/zinc/54/29/48/492542948.db2.gz SFBJNJOAHTYJIA-HRCADAONSA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1=O ZINC000623305464 492542951 /nfs/dbraw/zinc/54/29/51/492542951.db2.gz SFBJNJOAHTYJIA-HRCADAONSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081980 492543152 /nfs/dbraw/zinc/54/31/52/492543152.db2.gz BDFJBUQNIBZLSA-NRKLIOEPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081980 492543154 /nfs/dbraw/zinc/54/31/54/492543154.db2.gz BDFJBUQNIBZLSA-NRKLIOEPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081980 492543156 /nfs/dbraw/zinc/54/31/56/492543156.db2.gz BDFJBUQNIBZLSA-NRKLIOEPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081980 492543158 /nfs/dbraw/zinc/54/31/58/492543158.db2.gz BDFJBUQNIBZLSA-NRKLIOEPSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649352879 492546458 /nfs/dbraw/zinc/54/64/58/492546458.db2.gz RTCJPGYQQYICQD-ZBFHGGJFSA-N 2 2 355.446 0.727 20 0 FCADLP O=C([C@@H]1C[NH2+]CCOC1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000643780305 492555774 /nfs/dbraw/zinc/55/57/74/492555774.db2.gz CIEKWHPRZFORKE-GOSISDBHSA-N 2 2 369.469 0.753 20 0 FCADLP CS(=O)(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000649478035 492556418 /nfs/dbraw/zinc/55/64/18/492556418.db2.gz PVZRIGJQPVMIHL-LLVKDONJSA-N 2 2 359.415 0.656 20 0 FCADLP CS(=O)(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000649478036 492556429 /nfs/dbraw/zinc/55/64/29/492556429.db2.gz PVZRIGJQPVMIHL-NSHDSACASA-N 2 2 359.415 0.656 20 0 FCADLP CC[N@H+](C)C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151750 492558097 /nfs/dbraw/zinc/55/80/97/492558097.db2.gz GMDAXEKZTNIZCI-DLBZAZTESA-N 2 2 360.462 0.559 20 0 FCADLP CC[N@@H+](C)C[C@H](O)Cn1nnc([C@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151750 492558101 /nfs/dbraw/zinc/55/81/01/492558101.db2.gz GMDAXEKZTNIZCI-DLBZAZTESA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@H](O)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151750 492558106 /nfs/dbraw/zinc/55/81/06/492558106.db2.gz GMDAXEKZTNIZCI-DLBZAZTESA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@H](O)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151750 492558108 /nfs/dbraw/zinc/55/81/08/492558108.db2.gz GMDAXEKZTNIZCI-DLBZAZTESA-N 2 2 360.462 0.559 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643797112 492562884 /nfs/dbraw/zinc/56/28/84/492562884.db2.gz KGNDRLSDFPNJFZ-PMPSAXMXSA-N 2 2 353.442 0.027 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643797112 492562888 /nfs/dbraw/zinc/56/28/88/492562888.db2.gz KGNDRLSDFPNJFZ-PMPSAXMXSA-N 2 2 353.442 0.027 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000649613804 492564391 /nfs/dbraw/zinc/56/43/91/492564391.db2.gz HKKFKZOXNCPBJF-QGZVFWFLSA-N 2 2 373.501 0.909 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CC1 ZINC000649613804 492564398 /nfs/dbraw/zinc/56/43/98/492564398.db2.gz HKKFKZOXNCPBJF-QGZVFWFLSA-N 2 2 373.501 0.909 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000656296488 492574703 /nfs/dbraw/zinc/57/47/03/492574703.db2.gz UVAGEBMOEGKIFD-HOTGVXAUSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000656296488 492574704 /nfs/dbraw/zinc/57/47/04/492574704.db2.gz UVAGEBMOEGKIFD-HOTGVXAUSA-N 2 2 359.474 0.897 20 0 FCADLP CCOC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638967 492577981 /nfs/dbraw/zinc/57/79/81/492577981.db2.gz ZLALQUXVOUUQJD-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP CCOC[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638967 492577983 /nfs/dbraw/zinc/57/79/83/492577983.db2.gz ZLALQUXVOUUQJD-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000636315598 492579467 /nfs/dbraw/zinc/57/94/67/492579467.db2.gz NENQHTZCGLXGKV-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000636315598 492579470 /nfs/dbraw/zinc/57/94/70/492579470.db2.gz NENQHTZCGLXGKV-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464980 492593046 /nfs/dbraw/zinc/59/30/46/492593046.db2.gz OSZKFOFXAALREA-QZTJIDSGSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000636464980 492593048 /nfs/dbraw/zinc/59/30/48/492593048.db2.gz OSZKFOFXAALREA-QZTJIDSGSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636464980 492593052 /nfs/dbraw/zinc/59/30/52/492593052.db2.gz OSZKFOFXAALREA-QZTJIDSGSA-N 2 2 362.474 0.253 20 0 FCADLP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636464980 492593053 /nfs/dbraw/zinc/59/30/53/492593053.db2.gz OSZKFOFXAALREA-QZTJIDSGSA-N 2 2 362.474 0.253 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000623782791 492595086 /nfs/dbraw/zinc/59/50/86/492595086.db2.gz AQLNIZHAVBHSDT-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000623782791 492595088 /nfs/dbraw/zinc/59/50/88/492595088.db2.gz AQLNIZHAVBHSDT-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP Nc1nc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc(N)[nH+]1 ZINC000623926682 492606353 /nfs/dbraw/zinc/60/63/53/492606353.db2.gz MUMYQMBRKMPKEX-UHFFFAOYSA-N 2 2 366.429 0.850 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000636558091 492622188 /nfs/dbraw/zinc/62/21/88/492622188.db2.gz KAIDEXIKQYKGBG-XWTMOSNGSA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000636558091 492622192 /nfs/dbraw/zinc/62/21/92/492622192.db2.gz KAIDEXIKQYKGBG-XWTMOSNGSA-N 2 2 368.522 0.990 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578570 492627457 /nfs/dbraw/zinc/62/74/57/492627457.db2.gz LREJAXFRUYBDII-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000636578570 492627462 /nfs/dbraw/zinc/62/74/62/492627462.db2.gz LREJAXFRUYBDII-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578570 492627464 /nfs/dbraw/zinc/62/74/64/492627464.db2.gz LREJAXFRUYBDII-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578570 492627467 /nfs/dbraw/zinc/62/74/67/492627467.db2.gz LREJAXFRUYBDII-GPMSIDNRSA-N 2 2 366.506 0.528 20 0 FCADLP CC(C)(C)n1ncc2c1nc(N1CCCC[C@H]1CNC(=O)CC[NH3+])[nH+]c2N ZINC000656605962 492636264 /nfs/dbraw/zinc/63/62/64/492636264.db2.gz HVBAHCYIPOLXFX-LBPRGKRZSA-N 2 2 374.493 0.987 20 0 FCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000656695997 492642626 /nfs/dbraw/zinc/64/26/26/492642626.db2.gz BUWASGLSWQVYLV-SFHVURJKSA-N 2 2 354.539 0.754 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000656695997 492642630 /nfs/dbraw/zinc/64/26/30/492642630.db2.gz BUWASGLSWQVYLV-SFHVURJKSA-N 2 2 354.539 0.754 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000656698381 492643686 /nfs/dbraw/zinc/64/36/86/492643686.db2.gz YFCRNXYTLHLOQS-CRAIPNDOSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000656698381 492643687 /nfs/dbraw/zinc/64/36/87/492643687.db2.gz YFCRNXYTLHLOQS-CRAIPNDOSA-N 2 2 359.474 0.817 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000650594587 492653347 /nfs/dbraw/zinc/65/33/47/492653347.db2.gz QQLXUDFHVTUZDZ-SJORKVTESA-N 2 2 355.442 0.970 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000650594587 492653349 /nfs/dbraw/zinc/65/33/49/492653349.db2.gz QQLXUDFHVTUZDZ-SJORKVTESA-N 2 2 355.442 0.970 20 0 FCADLP C[N@H+](CCOCC[NH3+])CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000629578578 492655954 /nfs/dbraw/zinc/65/59/54/492655954.db2.gz SBOLDSABGKXGIO-UHFFFAOYSA-N 3 2 356.511 0.045 20 0 FCADLP C[N@@H+](CCOCC[NH3+])CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000629578578 492655957 /nfs/dbraw/zinc/65/59/57/492655957.db2.gz SBOLDSABGKXGIO-UHFFFAOYSA-N 3 2 356.511 0.045 20 0 FCADLP CCN1C[C@@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000650798427 492668983 /nfs/dbraw/zinc/66/89/83/492668983.db2.gz YDDAGYSFESCFDT-OAHLLOKOSA-N 2 2 365.522 0.713 20 0 FCADLP CCN1C[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877500 492679288 /nfs/dbraw/zinc/67/92/88/492679288.db2.gz XFXWSWISNUJBQY-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP CCN1C[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877500 492679291 /nfs/dbraw/zinc/67/92/91/492679291.db2.gz XFXWSWISNUJBQY-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[C@H]1C(F)(F)F ZINC000629814475 492686170 /nfs/dbraw/zinc/68/61/70/492686170.db2.gz SGTHSAVFXLKTOW-CMPLNLGQSA-N 2 2 359.352 0.211 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000644302909 492698376 /nfs/dbraw/zinc/69/83/76/492698376.db2.gz OEZHYBNMYPDXJW-KGLIPLIRSA-N 2 2 364.450 0.045 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000651044462 492699872 /nfs/dbraw/zinc/69/98/72/492699872.db2.gz LOZCELFADYESLK-OAHLLOKOSA-N 2 2 351.451 0.188 20 0 FCADLP C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000636813876 492701236 /nfs/dbraw/zinc/70/12/36/492701236.db2.gz JAOFHLFGRMLSBQ-DNVCBOLYSA-N 2 2 368.522 0.632 20 0 FCADLP C[C@@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC[NH+](C)CC1 ZINC000636813876 492701240 /nfs/dbraw/zinc/70/12/40/492701240.db2.gz JAOFHLFGRMLSBQ-DNVCBOLYSA-N 2 2 368.522 0.632 20 0 FCADLP CC[N@@H+](CCNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)CCC(F)(F)F ZINC000651058975 492701661 /nfs/dbraw/zinc/70/16/61/492701661.db2.gz NWEMLDQIDDVAEV-CYBMUJFWSA-N 2 2 352.401 0.721 20 0 FCADLP CC[NH+](CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)CCC(F)(F)F ZINC000651058975 492701666 /nfs/dbraw/zinc/70/16/66/492701666.db2.gz NWEMLDQIDDVAEV-CYBMUJFWSA-N 2 2 352.401 0.721 20 0 FCADLP CC[NH+](CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)CCC(F)(F)F ZINC000651058975 492701669 /nfs/dbraw/zinc/70/16/69/492701669.db2.gz NWEMLDQIDDVAEV-CYBMUJFWSA-N 2 2 352.401 0.721 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000630021928 492718520 /nfs/dbraw/zinc/71/85/20/492718520.db2.gz ZQTRWWVETVKRKW-QFBILLFUSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000630021928 492718523 /nfs/dbraw/zinc/71/85/23/492718523.db2.gz ZQTRWWVETVKRKW-QFBILLFUSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630021928 492718528 /nfs/dbraw/zinc/71/85/28/492718528.db2.gz ZQTRWWVETVKRKW-QFBILLFUSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630021928 492718532 /nfs/dbraw/zinc/71/85/32/492718532.db2.gz ZQTRWWVETVKRKW-QFBILLFUSA-N 2 2 353.507 0.983 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000644367164 492726183 /nfs/dbraw/zinc/72/61/83/492726183.db2.gz LPLVNBFUGAEUPO-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1 ZINC000644367164 492726186 /nfs/dbraw/zinc/72/61/86/492726186.db2.gz LPLVNBFUGAEUPO-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644367164 492726188 /nfs/dbraw/zinc/72/61/88/492726188.db2.gz LPLVNBFUGAEUPO-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644367164 492726192 /nfs/dbraw/zinc/72/61/92/492726192.db2.gz LPLVNBFUGAEUPO-OAGGEKHMSA-N 2 2 354.495 0.384 20 0 FCADLP CN(C(=O)CCCCCS(N)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315239 492740752 /nfs/dbraw/zinc/74/07/52/492740752.db2.gz RQTBFHKRYXYSJZ-MRXNPFEDSA-N 2 2 374.551 0.462 20 0 FCADLP CN(C(=O)CCCCCS(N)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315239 492740756 /nfs/dbraw/zinc/74/07/56/492740756.db2.gz RQTBFHKRYXYSJZ-MRXNPFEDSA-N 2 2 374.551 0.462 20 0 FCADLP CCN1C[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000651318529 492741933 /nfs/dbraw/zinc/74/19/33/492741933.db2.gz GIDXYJLTTTXIRL-OAHLLOKOSA-N 2 2 353.511 0.522 20 0 FCADLP CCN1C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC000651318529 492741935 /nfs/dbraw/zinc/74/19/35/492741935.db2.gz GIDXYJLTTTXIRL-OAHLLOKOSA-N 2 2 353.511 0.522 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@H]2CC[N@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625267121 492748869 /nfs/dbraw/zinc/74/88/69/492748869.db2.gz FXORCFVSRIITTD-BPUTZDHNSA-N 2 2 363.462 0.119 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625267121 492748872 /nfs/dbraw/zinc/74/88/72/492748872.db2.gz FXORCFVSRIITTD-BPUTZDHNSA-N 2 2 363.462 0.119 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cn1 ZINC000630689124 492766563 /nfs/dbraw/zinc/76/65/63/492766563.db2.gz IKFKCFZRRLFEJV-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP COCCOCC[NH+]1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000651486380 492766855 /nfs/dbraw/zinc/76/68/55/492766855.db2.gz ZPEAEHZODKWJNI-UHFFFAOYSA-N 2 2 351.451 0.098 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@@H]1C(=O)NCCn1cc[nH+]c1C ZINC000630864216 492779782 /nfs/dbraw/zinc/77/97/82/492779782.db2.gz HFCYXSRWEVYWSI-IYBDPMFKSA-N 2 2 358.446 0.655 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H](C)O1 ZINC000644515742 492780642 /nfs/dbraw/zinc/78/06/42/492780642.db2.gz YSYIVBWBESWCEL-DAYGRLMNSA-N 2 2 365.474 0.944 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H](C)O1 ZINC000644515742 492780645 /nfs/dbraw/zinc/78/06/45/492780645.db2.gz YSYIVBWBESWCEL-DAYGRLMNSA-N 2 2 365.474 0.944 20 0 FCADLP Cc1cc(NC(=O)CC[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000644533814 492782772 /nfs/dbraw/zinc/78/27/72/492782772.db2.gz HMYQKYKBFFGWLO-UHFFFAOYSA-N 3 2 372.473 1.509 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644558414 492784574 /nfs/dbraw/zinc/78/45/74/492784574.db2.gz SKKOOKOZYLFMAD-LJQANCHMSA-N 2 2 362.518 0.622 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644558414 492784579 /nfs/dbraw/zinc/78/45/79/492784579.db2.gz SKKOOKOZYLFMAD-LJQANCHMSA-N 2 2 362.518 0.622 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000644569742 492786150 /nfs/dbraw/zinc/78/61/50/492786150.db2.gz SYCYXVUJVFVCHO-RBUKOAKNSA-N 2 2 351.466 0.725 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657741671 492787283 /nfs/dbraw/zinc/78/72/83/492787283.db2.gz PPWZUUQWSVKCEJ-MRXNPFEDSA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743481 492787379 /nfs/dbraw/zinc/78/73/79/492787379.db2.gz CCXZSTOPYKSQLS-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000657744067 492788946 /nfs/dbraw/zinc/78/89/46/492788946.db2.gz HBFQCHUHMUGSHZ-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000657744067 492788948 /nfs/dbraw/zinc/78/89/48/492788948.db2.gz HBFQCHUHMUGSHZ-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610946 492791262 /nfs/dbraw/zinc/79/12/62/492791262.db2.gz AEFGFURJCAYXJY-SOLBZPMBSA-N 3 2 366.506 0.582 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000644610946 492791268 /nfs/dbraw/zinc/79/12/68/492791268.db2.gz AEFGFURJCAYXJY-SOLBZPMBSA-N 3 2 366.506 0.582 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCN(c3ccnn3C)C2)C[C@H](C)O1 ZINC000644633630 492794169 /nfs/dbraw/zinc/79/41/69/492794169.db2.gz OFQZIABVKQLFIC-VVLHAWIVSA-N 2 2 351.495 0.449 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCN(c3ccnn3C)C2)C[C@H](C)O1 ZINC000644633630 492794174 /nfs/dbraw/zinc/79/41/74/492794174.db2.gz OFQZIABVKQLFIC-VVLHAWIVSA-N 2 2 351.495 0.449 20 0 FCADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000631161759 492801326 /nfs/dbraw/zinc/80/13/26/492801326.db2.gz UOMOSRHNUQWVKZ-KRWDZBQOSA-N 2 2 372.473 0.879 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cncc(N4CCCC4)n3)C2)CC1 ZINC000631258699 492807332 /nfs/dbraw/zinc/80/73/32/492807332.db2.gz CRJKILVFCHZGRF-HNNXBMFYSA-N 2 2 358.490 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cncc(N4CCCC4)n3)C2)CC1 ZINC000631258699 492807335 /nfs/dbraw/zinc/80/73/35/492807335.db2.gz CRJKILVFCHZGRF-HNNXBMFYSA-N 2 2 358.490 0.975 20 0 FCADLP Cn1cc(N2C[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519041 492807610 /nfs/dbraw/zinc/80/76/10/492807610.db2.gz HYMPIQGRGRLBTF-HUUCEWRRSA-N 2 2 374.489 0.058 20 0 FCADLP Cn1cc(N2C[C@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cn1 ZINC000625519041 492807612 /nfs/dbraw/zinc/80/76/12/492807612.db2.gz HYMPIQGRGRLBTF-HUUCEWRRSA-N 2 2 374.489 0.058 20 0 FCADLP C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000637375537 492814554 /nfs/dbraw/zinc/81/45/54/492814554.db2.gz MKYBBDHOPAAGGA-HRCADAONSA-N 2 2 362.478 0.815 20 0 FCADLP C[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000637375537 492814558 /nfs/dbraw/zinc/81/45/58/492814558.db2.gz MKYBBDHOPAAGGA-HRCADAONSA-N 2 2 362.478 0.815 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](n4ccnn4)C3)C2)CC1 ZINC000644936022 492831060 /nfs/dbraw/zinc/83/10/60/492831060.db2.gz ZKZQJRFMVGQJGA-NVXWUHKLSA-N 2 2 361.494 0.793 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](n4ccnn4)C3)C2)CC1 ZINC000644936022 492831063 /nfs/dbraw/zinc/83/10/63/492831063.db2.gz ZKZQJRFMVGQJGA-NVXWUHKLSA-N 2 2 361.494 0.793 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000644954250 492833354 /nfs/dbraw/zinc/83/33/54/492833354.db2.gz NQYGHWUXIDUMIY-LSDHHAIUSA-N 2 2 355.446 0.726 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000644954250 492833358 /nfs/dbraw/zinc/83/33/58/492833358.db2.gz NQYGHWUXIDUMIY-LSDHHAIUSA-N 2 2 355.446 0.726 20 0 FCADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000631696414 492837629 /nfs/dbraw/zinc/83/76/29/492837629.db2.gz QJRGGDIFVBGGOO-UHFFFAOYSA-N 2 2 368.503 0.824 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846385 492861381 /nfs/dbraw/zinc/86/13/81/492861381.db2.gz YGWNPGUSUUSSAO-CVEARBPZSA-N 2 2 356.430 0.104 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC000631846385 492861382 /nfs/dbraw/zinc/86/13/82/492861382.db2.gz YGWNPGUSUUSSAO-CVEARBPZSA-N 2 2 356.430 0.104 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nn1 ZINC000631846449 492861851 /nfs/dbraw/zinc/86/18/51/492861851.db2.gz ZAYLAGQNJOWCHJ-HNNXBMFYSA-N 2 2 350.373 0.578 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)nn1 ZINC000631846449 492861855 /nfs/dbraw/zinc/86/18/55/492861855.db2.gz ZAYLAGQNJOWCHJ-HNNXBMFYSA-N 2 2 350.373 0.578 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863659 492865348 /nfs/dbraw/zinc/86/53/48/492865348.db2.gz AHCXEORFWOIDHB-KRWDZBQOSA-N 2 2 360.502 0.770 20 0 FCADLP O=C(CN1CCC([NH2+]CCO)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000631862219 492865830 /nfs/dbraw/zinc/86/58/30/492865830.db2.gz GSADTYAPZPRJFO-UHFFFAOYSA-N 2 2 366.531 0.439 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000631911030 492876842 /nfs/dbraw/zinc/87/68/42/492876842.db2.gz UIAJGCQYMCCQDC-UHFFFAOYSA-N 2 2 353.492 0.700 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000631915915 492881491 /nfs/dbraw/zinc/88/14/91/492881491.db2.gz QDBVVMBQZWEBKN-BFYDXBDKSA-N 2 2 374.551 0.489 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000658423362 492882604 /nfs/dbraw/zinc/88/26/04/492882604.db2.gz MUMHLTCLAMKCGK-UONOGXRCSA-N 2 2 359.430 0.807 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000658423362 492882607 /nfs/dbraw/zinc/88/26/07/492882607.db2.gz MUMHLTCLAMKCGK-UONOGXRCSA-N 2 2 359.430 0.807 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000631927374 492889113 /nfs/dbraw/zinc/88/91/13/492889113.db2.gz XKKSSFOMABHBRI-CVEARBPZSA-N 2 2 360.524 0.148 20 0 FCADLP NC(=O)N1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637992581 492890259 /nfs/dbraw/zinc/89/02/59/492890259.db2.gz KHHMOEZMAYXYFA-UHFFFAOYSA-N 2 2 362.474 0.984 20 0 FCADLP NC(=O)N1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637992581 492890262 /nfs/dbraw/zinc/89/02/62/492890262.db2.gz KHHMOEZMAYXYFA-UHFFFAOYSA-N 2 2 362.474 0.984 20 0 FCADLP CC(C)C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645305442 492890542 /nfs/dbraw/zinc/89/05/42/492890542.db2.gz SDQKBCCCSWWUBJ-HOTGVXAUSA-N 2 2 364.494 0.507 20 0 FCADLP C[C@H](O)C[NH+]1CCN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000638025290 492892681 /nfs/dbraw/zinc/89/26/81/492892681.db2.gz GCPRLIRPORBXAK-SFHVURJKSA-N 2 2 363.502 0.896 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000638053790 492896742 /nfs/dbraw/zinc/89/67/42/492896742.db2.gz BRCGJIIQWKSSIJ-KSSFIOAISA-N 2 2 374.485 0.376 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000638056867 492897416 /nfs/dbraw/zinc/89/74/16/492897416.db2.gz MBCSBHVCRBUWDW-LPHOPBHVSA-N 2 2 357.458 0.746 20 0 FCADLP COCC[NH+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC000638058149 492897901 /nfs/dbraw/zinc/89/79/01/492897901.db2.gz ULZBRXDTXSEAKX-NSHDSACASA-N 2 2 358.393 0.154 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000652370674 492918219 /nfs/dbraw/zinc/91/82/19/492918219.db2.gz JLDXGQGKNINHSJ-XIRDDKMYSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000652370674 492918223 /nfs/dbraw/zinc/91/82/23/492918223.db2.gz JLDXGQGKNINHSJ-XIRDDKMYSA-N 2 2 363.506 0.608 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638276539 492926756 /nfs/dbraw/zinc/92/67/56/492926756.db2.gz ZKCYBBKPNUHCSW-UHFFFAOYSA-N 2 2 358.486 0.545 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638276539 492926758 /nfs/dbraw/zinc/92/67/58/492926758.db2.gz ZKCYBBKPNUHCSW-UHFFFAOYSA-N 2 2 358.486 0.545 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2C1 ZINC000658534173 492933432 /nfs/dbraw/zinc/93/34/32/492933432.db2.gz DKPLCICKCHJBTB-KRWDZBQOSA-N 2 2 358.442 0.504 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2C1 ZINC000658534173 492933434 /nfs/dbraw/zinc/93/34/34/492933434.db2.gz DKPLCICKCHJBTB-KRWDZBQOSA-N 2 2 358.442 0.504 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000638339499 492937334 /nfs/dbraw/zinc/93/73/34/492937334.db2.gz BYGSOZGASOBUKN-SDADXPQNSA-N 2 2 363.462 0.152 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000632148106 492939886 /nfs/dbraw/zinc/93/98/86/492939886.db2.gz KIRHYLXVRNTJMY-GOSISDBHSA-N 2 2 366.531 0.730 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000632148106 492939893 /nfs/dbraw/zinc/93/98/93/492939893.db2.gz KIRHYLXVRNTJMY-GOSISDBHSA-N 2 2 366.531 0.730 20 0 FCADLP C[C@H](C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[NH2+]CC1=O ZINC000638408875 492944800 /nfs/dbraw/zinc/94/48/00/492944800.db2.gz KSSXMPYCLYBXQZ-OAHLLOKOSA-N 2 2 359.474 0.230 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000626208206 492947871 /nfs/dbraw/zinc/94/78/71/492947871.db2.gz ZHVXLZZDZFOPDH-MOPGFXCFSA-N 2 2 361.486 0.485 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000626208206 492947873 /nfs/dbraw/zinc/94/78/73/492947873.db2.gz ZHVXLZZDZFOPDH-MOPGFXCFSA-N 2 2 361.486 0.485 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)CCC(=O)N1C1CC1 ZINC000638449443 492948649 /nfs/dbraw/zinc/94/86/49/492948649.db2.gz QXDNGDROZJMNMQ-KEYYUXOJSA-N 2 2 359.474 0.978 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638481732 492954472 /nfs/dbraw/zinc/95/44/72/492954472.db2.gz NEIATALEPPBQGW-KRWDZBQOSA-N 3 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638481732 492954476 /nfs/dbraw/zinc/95/44/76/492954476.db2.gz NEIATALEPPBQGW-KRWDZBQOSA-N 3 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638481732 492954478 /nfs/dbraw/zinc/95/44/78/492954478.db2.gz NEIATALEPPBQGW-KRWDZBQOSA-N 2 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638481732 492954482 /nfs/dbraw/zinc/95/44/82/492954482.db2.gz NEIATALEPPBQGW-KRWDZBQOSA-N 2 2 354.539 0.754 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638481732 492954485 /nfs/dbraw/zinc/95/44/85/492954485.db2.gz NEIATALEPPBQGW-KRWDZBQOSA-N 2 2 354.539 0.754 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000652516368 492958073 /nfs/dbraw/zinc/95/80/73/492958073.db2.gz ACPXRFBGLLVMJP-DOTOQJQBSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000652516368 492958076 /nfs/dbraw/zinc/95/80/76/492958076.db2.gz ACPXRFBGLLVMJP-DOTOQJQBSA-N 2 2 368.522 0.497 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529647 492963485 /nfs/dbraw/zinc/96/34/85/492963485.db2.gz SCKYQVKVOARLJN-QYZOEREBSA-N 2 2 370.497 0.534 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)C[C@@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529647 492963488 /nfs/dbraw/zinc/96/34/88/492963488.db2.gz SCKYQVKVOARLJN-QYZOEREBSA-N 2 2 370.497 0.534 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529647 492963492 /nfs/dbraw/zinc/96/34/92/492963492.db2.gz SCKYQVKVOARLJN-QYZOEREBSA-N 2 2 370.497 0.534 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)C[C@@H]21 ZINC000652529647 492963494 /nfs/dbraw/zinc/96/34/94/492963494.db2.gz SCKYQVKVOARLJN-QYZOEREBSA-N 2 2 370.497 0.534 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000652529166 492963544 /nfs/dbraw/zinc/96/35/44/492963544.db2.gz GEERACKKECZKIW-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1 ZINC000652529166 492963549 /nfs/dbraw/zinc/96/35/49/492963549.db2.gz GEERACKKECZKIW-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652529166 492963552 /nfs/dbraw/zinc/96/35/52/492963552.db2.gz GEERACKKECZKIW-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652529166 492963558 /nfs/dbraw/zinc/96/35/58/492963558.db2.gz GEERACKKECZKIW-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000645722614 492966579 /nfs/dbraw/zinc/96/65/79/492966579.db2.gz XFCQCADDPDFWIO-KRWDZBQOSA-N 2 2 360.458 0.716 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1C[NH+]1CCOCC1 ZINC000638750188 492975419 /nfs/dbraw/zinc/97/54/19/492975419.db2.gz AFRKPGQTFVLOIA-KRWDZBQOSA-N 2 2 370.457 0.575 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]([NH3+])c3c(F)cccc3F)CC2)C1=O ZINC000638856743 492982342 /nfs/dbraw/zinc/98/23/42/492982342.db2.gz SSMXSBOZDKDNNW-GDBMZVCRSA-N 2 2 366.412 0.776 20 0 FCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638985499 492990708 /nfs/dbraw/zinc/99/07/08/492990708.db2.gz INUKHGDMEHXOMU-INIZCTEOSA-N 3 2 355.446 0.865 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCO2)CC1 ZINC000645941108 492990729 /nfs/dbraw/zinc/99/07/29/492990729.db2.gz KDKALHVNPFKVIJ-OALUTQOASA-N 2 2 360.502 0.421 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCO2)CC1 ZINC000645941046 492990960 /nfs/dbraw/zinc/99/09/60/492990960.db2.gz FGZURZGJJYZYJH-WHBLYCTDSA-N 2 2 364.534 0.615 20 0 FCADLP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003474 492991984 /nfs/dbraw/zinc/99/19/84/492991984.db2.gz GVKKLMGGABDXMQ-KRWDZBQOSA-N 2 2 369.473 0.598 20 0 FCADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000639205936 493002117 /nfs/dbraw/zinc/00/21/17/493002117.db2.gz MIPKHSOSDKLETB-UHFFFAOYSA-N 3 2 354.539 0.804 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658685399 493007108 /nfs/dbraw/zinc/00/71/08/493007108.db2.gz BLJQVARKJKPFBO-MRXNPFEDSA-N 2 2 354.495 0.110 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000639478542 493012630 /nfs/dbraw/zinc/01/26/30/493012630.db2.gz RAFBNDKBANKKQE-HNNXBMFYSA-N 2 2 369.491 0.060 20 0 FCADLP CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000639478542 493012633 /nfs/dbraw/zinc/01/26/33/493012633.db2.gz RAFBNDKBANKKQE-HNNXBMFYSA-N 2 2 369.491 0.060 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509539 493015064 /nfs/dbraw/zinc/01/50/64/493015064.db2.gz FMTJTLCVLSUSMY-ZBFHGGJFSA-N 2 2 374.551 0.331 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509539 493015067 /nfs/dbraw/zinc/01/50/67/493015067.db2.gz FMTJTLCVLSUSMY-ZBFHGGJFSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509539 493015069 /nfs/dbraw/zinc/01/50/69/493015069.db2.gz FMTJTLCVLSUSMY-ZBFHGGJFSA-N 2 2 374.551 0.331 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1C ZINC000639509539 493015072 /nfs/dbraw/zinc/01/50/72/493015072.db2.gz FMTJTLCVLSUSMY-ZBFHGGJFSA-N 2 2 374.551 0.331 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558892 493019583 /nfs/dbraw/zinc/01/95/83/493019583.db2.gz JMMHRPWRGNRZRL-IAGOWNOFSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558892 493019585 /nfs/dbraw/zinc/01/95/85/493019585.db2.gz JMMHRPWRGNRZRL-IAGOWNOFSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639558892 493019587 /nfs/dbraw/zinc/01/95/87/493019587.db2.gz JMMHRPWRGNRZRL-IAGOWNOFSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639558892 493019589 /nfs/dbraw/zinc/01/95/89/493019589.db2.gz JMMHRPWRGNRZRL-IAGOWNOFSA-N 2 2 353.488 0.376 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000626845764 493033077 /nfs/dbraw/zinc/03/30/77/493033077.db2.gz HSXBTHFMDBGFIQ-SFHVURJKSA-N 2 2 374.485 0.914 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701658 493034016 /nfs/dbraw/zinc/03/40/16/493034016.db2.gz HUIXSQIWCFOAIQ-NVXWUHKLSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701658 493034021 /nfs/dbraw/zinc/03/40/21/493034021.db2.gz HUIXSQIWCFOAIQ-NVXWUHKLSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000639701658 493034027 /nfs/dbraw/zinc/03/40/27/493034027.db2.gz HUIXSQIWCFOAIQ-NVXWUHKLSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000639701658 493034030 /nfs/dbraw/zinc/03/40/30/493034030.db2.gz HUIXSQIWCFOAIQ-NVXWUHKLSA-N 2 2 364.490 0.986 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000632585986 493036904 /nfs/dbraw/zinc/03/69/04/493036904.db2.gz HMKWNTNCGZOSTP-CQSZACIVSA-N 2 2 351.451 0.327 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1 ZINC000646440866 493047880 /nfs/dbraw/zinc/04/78/80/493047880.db2.gz JKUUAVSHDYQFPG-HOCLYGCPSA-N 2 2 350.467 0.390 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459201 493050758 /nfs/dbraw/zinc/05/07/58/493050758.db2.gz NUTGUSIKTWOUDG-HXUWFJFHSA-N 2 2 372.513 0.593 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459201 493050760 /nfs/dbraw/zinc/05/07/60/493050760.db2.gz NUTGUSIKTWOUDG-HXUWFJFHSA-N 2 2 372.513 0.593 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459201 493050765 /nfs/dbraw/zinc/05/07/65/493050765.db2.gz NUTGUSIKTWOUDG-HXUWFJFHSA-N 2 2 372.513 0.593 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459201 493050769 /nfs/dbraw/zinc/05/07/69/493050769.db2.gz NUTGUSIKTWOUDG-HXUWFJFHSA-N 2 2 372.513 0.593 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858892 493059596 /nfs/dbraw/zinc/05/95/96/493059596.db2.gz ZZNYCYXEGSBVHQ-RHSMWYFYSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000639858892 493059597 /nfs/dbraw/zinc/05/95/97/493059597.db2.gz ZZNYCYXEGSBVHQ-RHSMWYFYSA-N 2 2 353.488 0.210 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)cc2[nH+]1 ZINC000658805846 493063271 /nfs/dbraw/zinc/06/32/71/493063271.db2.gz ZXBZUELZLPGBMP-INIZCTEOSA-N 2 2 371.441 0.951 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000626922252 493063619 /nfs/dbraw/zinc/06/36/19/493063619.db2.gz SILCOZFRTQLQIQ-LSDHHAIUSA-N 2 2 367.519 0.324 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000626924423 493063643 /nfs/dbraw/zinc/06/36/43/493063643.db2.gz ROZRYBZLXNTMAW-UHFFFAOYSA-N 2 2 350.463 0.636 20 0 FCADLP CC[C@]1(c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)CCC(=O)NC1=O ZINC000653065091 493065500 /nfs/dbraw/zinc/06/55/00/493065500.db2.gz SSCHFMDHOPPJMX-DNVCBOLYSA-N 2 2 360.458 0.989 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000626931288 493066834 /nfs/dbraw/zinc/06/68/34/493066834.db2.gz ALJUDRRIKLXEIC-MRXNPFEDSA-N 2 2 370.461 0.807 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000653077845 493067229 /nfs/dbraw/zinc/06/72/29/493067229.db2.gz NBIDVMJHTIXGRJ-INIZCTEOSA-N 2 2 368.503 0.189 20 0 FCADLP [NH3+]CC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000626945618 493069207 /nfs/dbraw/zinc/06/92/07/493069207.db2.gz FKSJPYBREWTPNL-MRXNPFEDSA-N 2 2 358.508 0.001 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)NCc1ccccc1-n1cc[nH+]c1 ZINC000626947898 493069523 /nfs/dbraw/zinc/06/95/23/493069523.db2.gz JAMJEROMHFATDD-MRXNPFEDSA-N 2 2 366.429 0.998 20 0 FCADLP CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653100188 493069662 /nfs/dbraw/zinc/06/96/62/493069662.db2.gz JLCZRDJQRQHQIV-DOMZBBRYSA-N 2 2 356.492 0.981 20 0 FCADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1-n1nnnc1C1CC1 ZINC000653099446 493069938 /nfs/dbraw/zinc/06/99/38/493069938.db2.gz QXYXAABVDKXINL-CYBMUJFWSA-N 2 2 359.434 0.766 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000653104999 493070973 /nfs/dbraw/zinc/07/09/73/493070973.db2.gz AJJXQOZPZBVJBU-SJORKVTESA-N 2 2 352.454 0.594 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000653114696 493072766 /nfs/dbraw/zinc/07/27/66/493072766.db2.gz SZBPPAUMKXQLHI-MRXNPFEDSA-N 2 2 359.474 0.626 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000626975886 493073223 /nfs/dbraw/zinc/07/32/23/493073223.db2.gz ICFFIJZDAMBOIQ-QZTJIDSGSA-N 2 2 362.474 0.218 20 0 FCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000653153491 493078120 /nfs/dbraw/zinc/07/81/20/493078120.db2.gz QLLLGTNKWIYLAW-QWHCGFSZSA-N 2 2 371.279 0.713 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000653149036 493078258 /nfs/dbraw/zinc/07/82/58/493078258.db2.gz UMMWUFVUQADLMK-AWEZNQCLSA-N 2 2 358.446 0.126 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000653151659 493078533 /nfs/dbraw/zinc/07/85/33/493078533.db2.gz NHUGVWCDTPDIAO-AWEZNQCLSA-N 2 2 366.510 0.680 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000653160105 493080450 /nfs/dbraw/zinc/08/04/50/493080450.db2.gz YGKKKABEWCFBGR-GJZGRUSLSA-N 2 2 359.430 0.916 20 0 FCADLP C[N@H+](CCC(=O)N1CCOc2ccccc21)CC(=O)N1CC[NH+](C)CC1 ZINC000640051189 493080379 /nfs/dbraw/zinc/08/03/79/493080379.db2.gz KUYPTFNAXYARGN-UHFFFAOYSA-N 2 2 360.458 0.508 20 0 FCADLP C[N@@H+](CCC(=O)N1CCOc2ccccc21)CC(=O)N1CC[NH+](C)CC1 ZINC000640051189 493080385 /nfs/dbraw/zinc/08/03/85/493080385.db2.gz KUYPTFNAXYARGN-UHFFFAOYSA-N 2 2 360.458 0.508 20 0 FCADLP C[N@H+](CCC(=O)N1CCc2sccc2C1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059026 493081367 /nfs/dbraw/zinc/08/13/67/493081367.db2.gz NSAFKKRMVVYSJT-UHFFFAOYSA-N 2 2 364.515 0.729 20 0 FCADLP C[N@@H+](CCC(=O)N1CCc2sccc2C1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059026 493081369 /nfs/dbraw/zinc/08/13/69/493081369.db2.gz NSAFKKRMVVYSJT-UHFFFAOYSA-N 2 2 364.515 0.729 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983790 493099167 /nfs/dbraw/zinc/09/91/67/493099167.db2.gz YJCCLXFZGFUOAZ-MSOLQXFVSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983790 493099169 /nfs/dbraw/zinc/09/91/69/493099169.db2.gz YJCCLXFZGFUOAZ-MSOLQXFVSA-N 2 2 358.490 0.973 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCc1cn([C@H]3CC[NH2+]C3)nn1)C2 ZINC000627229367 493111518 /nfs/dbraw/zinc/11/15/18/493111518.db2.gz RCQYBAXWDOYJKK-AWEZNQCLSA-N 2 2 372.477 0.937 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390218 493114573 /nfs/dbraw/zinc/11/45/73/493114573.db2.gz VDZVVSPRKDTIEP-VQIMIIECSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390218 493114576 /nfs/dbraw/zinc/11/45/76/493114576.db2.gz VDZVVSPRKDTIEP-VQIMIIECSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000653390218 493114580 /nfs/dbraw/zinc/11/45/80/493114580.db2.gz VDZVVSPRKDTIEP-VQIMIIECSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000653390218 493114583 /nfs/dbraw/zinc/11/45/83/493114583.db2.gz VDZVVSPRKDTIEP-VQIMIIECSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390217 493114806 /nfs/dbraw/zinc/11/48/06/493114806.db2.gz VDZVVSPRKDTIEP-QFBILLFUSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)[NH+](C)C1CC1 ZINC000653390217 493114808 /nfs/dbraw/zinc/11/48/08/493114808.db2.gz VDZVVSPRKDTIEP-QFBILLFUSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)[N@H+](C)C1CC1 ZINC000653390217 493114810 /nfs/dbraw/zinc/11/48/10/493114810.db2.gz VDZVVSPRKDTIEP-QFBILLFUSA-N 2 2 372.513 0.971 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000653390217 493114813 /nfs/dbraw/zinc/11/48/13/493114813.db2.gz VDZVVSPRKDTIEP-QFBILLFUSA-N 2 2 372.513 0.971 20 0 FCADLP CN(C)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc[nH+]1 ZINC000640598876 493119742 /nfs/dbraw/zinc/11/97/42/493119742.db2.gz YFJCKRVSBOZZOM-SFHVURJKSA-N 2 2 363.462 0.885 20 0 FCADLP CN(C)c1cc(NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc[nH+]1 ZINC000640598876 493119747 /nfs/dbraw/zinc/11/97/47/493119747.db2.gz YFJCKRVSBOZZOM-SFHVURJKSA-N 2 2 363.462 0.885 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000633116492 493132833 /nfs/dbraw/zinc/13/28/33/493132833.db2.gz UNDUCTAYANNVLR-ZOBUZTSGSA-N 2 2 374.485 0.849 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc([C@@H]([NH3+])c3ccc(Cl)cc3F)nn2)CC1 ZINC000640837419 493134278 /nfs/dbraw/zinc/13/42/78/493134278.db2.gz RUHQDPSWDSRNGN-INIZCTEOSA-N 2 2 366.828 0.893 20 0 FCADLP CC[NH2+]Cc1cn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000640871351 493140942 /nfs/dbraw/zinc/14/09/42/493140942.db2.gz AGOGOEYYAJIERO-UHFFFAOYSA-N 2 2 358.446 0.859 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000647028495 493147886 /nfs/dbraw/zinc/14/78/86/493147886.db2.gz SUZDJYCZQSSETG-PMPSAXMXSA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000647028495 493147888 /nfs/dbraw/zinc/14/78/88/493147888.db2.gz SUZDJYCZQSSETG-PMPSAXMXSA-N 2 2 354.495 0.155 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)Cn3cc(CCC[NH3+])nn3)CC2)cc1 ZINC000641028742 493162425 /nfs/dbraw/zinc/16/24/25/493162425.db2.gz PCPGMUSLDNSILP-UHFFFAOYSA-N 2 2 372.473 0.522 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641026149 493162713 /nfs/dbraw/zinc/16/27/13/493162713.db2.gz LQRQCQDABFFVIA-CVEARBPZSA-N 2 2 351.495 0.467 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)cn21 ZINC000647098438 493163059 /nfs/dbraw/zinc/16/30/59/493163059.db2.gz PAPMIRHVEAPCKR-AWEZNQCLSA-N 2 2 353.430 0.959 20 0 FCADLP C[NH2+]Cc1cn(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn1 ZINC000641063367 493166177 /nfs/dbraw/zinc/16/61/77/493166177.db2.gz FXQFRVPVOWIMGZ-UHFFFAOYSA-N 2 2 370.457 0.277 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000647173171 493174163 /nfs/dbraw/zinc/17/41/63/493174163.db2.gz XGNLPLGKERXIIY-CABCVRRESA-N 2 2 354.476 0.300 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681519424 493181435 /nfs/dbraw/zinc/18/14/35/493181435.db2.gz OJNDLQHGAIFFDX-XLNGHYISSA-N 2 2 354.495 0.647 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1OC ZINC000681519424 493181443 /nfs/dbraw/zinc/18/14/43/493181443.db2.gz OJNDLQHGAIFFDX-XLNGHYISSA-N 2 2 354.495 0.647 20 0 FCADLP C[NH2+][C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000659303267 493186438 /nfs/dbraw/zinc/18/64/38/493186438.db2.gz NKDBWZLVEDCVSR-CQSZACIVSA-N 2 2 359.257 0.802 20 0 FCADLP C[C@H](O)C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000653895508 493194130 /nfs/dbraw/zinc/19/41/30/493194130.db2.gz ALMIXEKERQKRCQ-INIZCTEOSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](O)C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000653895508 493194133 /nfs/dbraw/zinc/19/41/33/493194133.db2.gz ALMIXEKERQKRCQ-INIZCTEOSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681603990 493195053 /nfs/dbraw/zinc/19/50/53/493195053.db2.gz HRINQEZSMHGAEV-JKSUJKDBSA-N 2 2 355.446 0.657 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000681603990 493195057 /nfs/dbraw/zinc/19/50/57/493195057.db2.gz HRINQEZSMHGAEV-JKSUJKDBSA-N 2 2 355.446 0.657 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000659492684 493197206 /nfs/dbraw/zinc/19/72/06/493197206.db2.gz PGGPWPDUZOXKPI-ORIJERBGSA-N 2 2 362.478 0.708 20 0 FCADLP COc1ccc(N2C[C@@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000659563907 493213786 /nfs/dbraw/zinc/21/37/86/493213786.db2.gz CMTHOOMTHIBDQC-ZFWWWQNUSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccc(N2C[C@@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000659563907 493213791 /nfs/dbraw/zinc/21/37/91/493213791.db2.gz CMTHOOMTHIBDQC-ZFWWWQNUSA-N 2 2 361.446 0.085 20 0 FCADLP CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681791966 493217691 /nfs/dbraw/zinc/21/76/91/493217691.db2.gz SKTFTYCEDSZOBN-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681791966 493217697 /nfs/dbraw/zinc/21/76/97/493217697.db2.gz SKTFTYCEDSZOBN-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000666692035 493217809 /nfs/dbraw/zinc/21/78/09/493217809.db2.gz WPKSRXRNWABFAG-MRXNPFEDSA-N 2 2 372.469 0.594 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(O)(C(F)F)CC3)C2)CC1 ZINC000681790525 493217902 /nfs/dbraw/zinc/21/79/02/493217902.db2.gz AUOWWFSOLBNXPC-CYBMUJFWSA-N 2 2 360.449 0.957 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(O)(C(F)F)CC3)C2)CC1 ZINC000681790525 493217906 /nfs/dbraw/zinc/21/79/06/493217906.db2.gz AUOWWFSOLBNXPC-CYBMUJFWSA-N 2 2 360.449 0.957 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672637419 493219738 /nfs/dbraw/zinc/21/97/38/493219738.db2.gz GTFBSZYZBGBTIY-FZKCQIBNSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672637419 493219741 /nfs/dbraw/zinc/21/97/41/493219741.db2.gz GTFBSZYZBGBTIY-FZKCQIBNSA-N 2 2 366.506 0.343 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CC(C)(C)C)C2)CC1 ZINC000672638031 493220697 /nfs/dbraw/zinc/22/06/97/493220697.db2.gz QMYGQHJEOSJRHI-OAHLLOKOSA-N 2 2 368.522 0.138 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CC(C)(C)C)C2)CC1 ZINC000672638031 493220699 /nfs/dbraw/zinc/22/06/99/493220699.db2.gz QMYGQHJEOSJRHI-OAHLLOKOSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)C1 ZINC000659612446 493220791 /nfs/dbraw/zinc/22/07/91/493220791.db2.gz WZSWKFFAJJHYEA-HNNXBMFYSA-N 2 2 361.494 0.755 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)C1 ZINC000659612446 493220794 /nfs/dbraw/zinc/22/07/94/493220794.db2.gz WZSWKFFAJJHYEA-HNNXBMFYSA-N 2 2 361.494 0.755 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638371 493221552 /nfs/dbraw/zinc/22/15/52/493221552.db2.gz RYAFJEZBIIWGGE-GOEBONIOSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638371 493221556 /nfs/dbraw/zinc/22/15/56/493221556.db2.gz RYAFJEZBIIWGGE-GOEBONIOSA-N 2 2 354.495 0.058 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000672638387 493221890 /nfs/dbraw/zinc/22/18/90/493221890.db2.gz GLLSUMKYNMZLPD-INIZCTEOSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000672638387 493221892 /nfs/dbraw/zinc/22/18/92/493221892.db2.gz GLLSUMKYNMZLPD-INIZCTEOSA-N 2 2 362.518 0.918 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CC(C)(C)O)C3CC3)C2)CC1 ZINC000672638493 493221999 /nfs/dbraw/zinc/22/19/99/493221999.db2.gz QWNLXTJHIFECHX-CQSZACIVSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CC(C)(C)O)C3CC3)C2)CC1 ZINC000672638493 493222001 /nfs/dbraw/zinc/22/20/01/493222001.db2.gz QWNLXTJHIFECHX-CQSZACIVSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641274 493223578 /nfs/dbraw/zinc/22/35/78/493223578.db2.gz OXKVHXWHVWEZQO-WBVHZDCISA-N 2 2 373.501 0.414 20 0 FCADLP C[C@H](Cc1ccncc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641274 493223580 /nfs/dbraw/zinc/22/35/80/493223580.db2.gz OXKVHXWHVWEZQO-WBVHZDCISA-N 2 2 373.501 0.414 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672641369 493223778 /nfs/dbraw/zinc/22/37/78/493223778.db2.gz QHZHFEZLJDMUPA-ZIAGYGMSSA-N 2 2 354.520 0.235 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000672641369 493223780 /nfs/dbraw/zinc/22/37/80/493223780.db2.gz QHZHFEZLJDMUPA-ZIAGYGMSSA-N 2 2 354.520 0.235 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000659629884 493223806 /nfs/dbraw/zinc/22/38/06/493223806.db2.gz BVKLSSSDAVPMSS-UHFFFAOYSA-N 2 2 374.420 0.807 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640913 493224109 /nfs/dbraw/zinc/22/41/09/493224109.db2.gz LZSKPNINORXCCQ-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640913 493224113 /nfs/dbraw/zinc/22/41/13/493224113.db2.gz LZSKPNINORXCCQ-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640789 493224536 /nfs/dbraw/zinc/22/45/36/493224536.db2.gz AENVFPAMNGMKQU-INIZCTEOSA-N 2 2 368.522 0.593 20 0 FCADLP CC(C)OCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640789 493224538 /nfs/dbraw/zinc/22/45/38/493224538.db2.gz AENVFPAMNGMKQU-INIZCTEOSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640292 493225013 /nfs/dbraw/zinc/22/50/13/493225013.db2.gz YXWVEDROZOUKDO-PMPSAXMXSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640292 493225016 /nfs/dbraw/zinc/22/50/16/493225016.db2.gz YXWVEDROZOUKDO-PMPSAXMXSA-N 2 2 350.507 0.824 20 0 FCADLP CC[C@@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641197 493225130 /nfs/dbraw/zinc/22/51/30/493225130.db2.gz NEXSCAZJBRPZOX-BEFAXECRSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@]1(C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672641197 493225133 /nfs/dbraw/zinc/22/51/33/493225133.db2.gz NEXSCAZJBRPZOX-BEFAXECRSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCC(=O)N1C ZINC000659641387 493227065 /nfs/dbraw/zinc/22/70/65/493227065.db2.gz NJJZWCFUIYQZGP-YGJAXBLXSA-N 2 2 360.462 0.461 20 0 FCADLP C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000659642269 493227457 /nfs/dbraw/zinc/22/74/57/493227457.db2.gz UZDACKYEYCQUFJ-HLPPOEQASA-N 2 2 362.478 0.851 20 0 FCADLP Cc1cnc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672643216 493227860 /nfs/dbraw/zinc/22/78/60/493227860.db2.gz UWUDLMFFBNVSBN-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1cnc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000672643216 493227863 /nfs/dbraw/zinc/22/78/63/493227863.db2.gz UWUDLMFFBNVSBN-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000672693501 493233301 /nfs/dbraw/zinc/23/33/01/493233301.db2.gz DKJZKLJKMMRGIO-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000672693501 493233304 /nfs/dbraw/zinc/23/33/04/493233304.db2.gz DKJZKLJKMMRGIO-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000641423387 493233562 /nfs/dbraw/zinc/23/35/62/493233562.db2.gz AANYVDVQIKQBRB-ZDUSSCGKSA-N 2 2 351.426 0.230 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000672695209 493234823 /nfs/dbraw/zinc/23/48/23/493234823.db2.gz ODFXPLXESFXGNE-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000672695209 493234826 /nfs/dbraw/zinc/23/48/26/493234826.db2.gz ODFXPLXESFXGNE-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000672708117 493237473 /nfs/dbraw/zinc/23/74/73/493237473.db2.gz CJXCVLGEPUCHDW-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000672708117 493237476 /nfs/dbraw/zinc/23/74/76/493237476.db2.gz CJXCVLGEPUCHDW-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000672708117 493237479 /nfs/dbraw/zinc/23/74/79/493237479.db2.gz CJXCVLGEPUCHDW-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000672708117 493237483 /nfs/dbraw/zinc/23/74/83/493237483.db2.gz CJXCVLGEPUCHDW-HZPDHXFCSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000672708115 493237775 /nfs/dbraw/zinc/23/77/75/493237775.db2.gz CJXCVLGEPUCHDW-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000672708115 493237777 /nfs/dbraw/zinc/23/77/77/493237777.db2.gz CJXCVLGEPUCHDW-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000672708115 493237780 /nfs/dbraw/zinc/23/77/80/493237780.db2.gz CJXCVLGEPUCHDW-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000672708115 493237783 /nfs/dbraw/zinc/23/77/83/493237783.db2.gz CJXCVLGEPUCHDW-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672761150 493245304 /nfs/dbraw/zinc/24/53/04/493245304.db2.gz JCXQFVOYBRGRAQ-UHFFFAOYSA-N 2 2 354.414 0.623 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)[nH+]c12 ZINC000672764731 493246633 /nfs/dbraw/zinc/24/66/33/493246633.db2.gz LGDLQANMEJTECG-UHFFFAOYSA-N 2 2 369.469 0.856 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NCCCn3cc[nH+]c3)[nH+]c12 ZINC000672764696 493246858 /nfs/dbraw/zinc/24/68/58/493246858.db2.gz JFEBQOXPWSYBAY-UHFFFAOYSA-N 2 2 354.414 0.704 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)[nH+]c12 ZINC000672765251 493247183 /nfs/dbraw/zinc/24/71/83/493247183.db2.gz GMGRKSHRPXFYDL-PBHICJAKSA-N 2 2 369.469 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH+]c12 ZINC000672765251 493247186 /nfs/dbraw/zinc/24/71/86/493247186.db2.gz GMGRKSHRPXFYDL-PBHICJAKSA-N 2 2 369.469 0.900 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCC1 ZINC000659682227 493248891 /nfs/dbraw/zinc/24/88/91/493248891.db2.gz HUTZUEJTXFUNOD-CABCVRRESA-N 2 2 352.479 0.134 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000659682878 493250002 /nfs/dbraw/zinc/25/00/02/493250002.db2.gz IPYNMBCNLXIOAC-AWEZNQCLSA-N 2 2 361.421 0.961 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000659684363 493251929 /nfs/dbraw/zinc/25/19/29/493251929.db2.gz HJKABBMQKZRWLN-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP COc1cc(CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)sn1 ZINC000641604786 493263718 /nfs/dbraw/zinc/26/37/18/493263718.db2.gz ARSBGQWNJXMQFQ-UHFFFAOYSA-N 2 2 350.510 0.455 20 0 FCADLP COc1cc(CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)sn1 ZINC000641604786 493263721 /nfs/dbraw/zinc/26/37/21/493263721.db2.gz ARSBGQWNJXMQFQ-UHFFFAOYSA-N 2 2 350.510 0.455 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)C1CCCC1 ZINC000659719290 493270885 /nfs/dbraw/zinc/27/08/85/493270885.db2.gz GNTXHZSOASGVHV-MRXNPFEDSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641670727 493275608 /nfs/dbraw/zinc/27/56/08/493275608.db2.gz RMLFKODPQJFFST-BRWVUGGUSA-N 2 2 361.490 0.436 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641670727 493275610 /nfs/dbraw/zinc/27/56/10/493275610.db2.gz RMLFKODPQJFFST-BRWVUGGUSA-N 2 2 361.490 0.436 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCO1 ZINC000667404578 493284311 /nfs/dbraw/zinc/28/43/11/493284311.db2.gz RQJAQMXGXMWMPU-ZBEGNZNMSA-N 2 2 371.441 0.964 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC2)cc1 ZINC000659751907 493286233 /nfs/dbraw/zinc/28/62/33/493286233.db2.gz XBYBTPKRDJJDLC-HNNXBMFYSA-N 2 2 362.474 0.454 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659757362 493286981 /nfs/dbraw/zinc/28/69/81/493286981.db2.gz XITIMEADGLWZNB-HNNXBMFYSA-N 2 2 361.490 0.871 20 0 FCADLP O=C(NCc1c[nH+]c2n1CCCC2)N(CCO)CC[NH+]1CCOCC1 ZINC000673082948 493288767 /nfs/dbraw/zinc/28/87/67/493288767.db2.gz XLHAWZUWDJVRMP-UHFFFAOYSA-N 2 2 351.451 0.056 20 0 FCADLP CN(C(=O)C(=O)NCCCC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673088057 493288905 /nfs/dbraw/zinc/28/89/05/493288905.db2.gz MRAGMYVYCVUORM-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)C(=O)NCCCC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673088057 493288907 /nfs/dbraw/zinc/28/89/07/493288907.db2.gz MRAGMYVYCVUORM-QGZVFWFLSA-N 2 2 350.507 0.920 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667540584 493289181 /nfs/dbraw/zinc/28/91/81/493289181.db2.gz OMTIMNHFMZVBTA-MAUKXSAKSA-N 2 2 372.469 0.668 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000659911492 493301981 /nfs/dbraw/zinc/30/19/81/493301981.db2.gz HCROUSHBFMPDOY-LJQANCHMSA-N 3 2 368.566 0.954 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000659911492 493301982 /nfs/dbraw/zinc/30/19/82/493301982.db2.gz HCROUSHBFMPDOY-LJQANCHMSA-N 3 2 368.566 0.954 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659995665 493313510 /nfs/dbraw/zinc/31/35/10/493313510.db2.gz GCGHIDDHKQASPT-KZNAEPCWSA-N 2 2 352.523 0.724 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302429 493315180 /nfs/dbraw/zinc/31/51/80/493315180.db2.gz XPXQHSLYKBTVKJ-CVEARBPZSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673302429 493315182 /nfs/dbraw/zinc/31/51/82/493315182.db2.gz XPXQHSLYKBTVKJ-CVEARBPZSA-N 2 2 359.474 0.575 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304200 493315513 /nfs/dbraw/zinc/31/55/13/493315513.db2.gz QFEAAKYBUDQZCD-MRXNPFEDSA-N 2 2 370.457 0.830 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000673304186 493315770 /nfs/dbraw/zinc/31/57/70/493315770.db2.gz PSOWPUGQDCYFMZ-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000673351597 493320359 /nfs/dbraw/zinc/32/03/59/493320359.db2.gz KXWSLCAZYOHTFH-UHFFFAOYSA-N 2 2 362.474 0.025 20 0 FCADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000668162775 493322567 /nfs/dbraw/zinc/32/25/67/493322567.db2.gz HYFBRCAGZMLOJK-UHFFFAOYSA-N 2 2 373.501 0.930 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660121725 493326846 /nfs/dbraw/zinc/32/68/46/493326846.db2.gz NUFRRKAQUPHEBZ-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000660121725 493326852 /nfs/dbraw/zinc/32/68/52/493326852.db2.gz NUFRRKAQUPHEBZ-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000673905019 493372781 /nfs/dbraw/zinc/37/27/81/493372781.db2.gz BHVOZJIDUNWIFE-UHFFFAOYSA-N 2 2 366.506 0.430 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000673993859 493380530 /nfs/dbraw/zinc/38/05/30/493380530.db2.gz SNNWHRYYIBHQFT-JKSUJKDBSA-N 2 2 358.446 0.961 20 0 FCADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000668586132 493380958 /nfs/dbraw/zinc/38/09/58/493380958.db2.gz HDHLAALZYLKCAD-GJZGRUSLSA-N 2 2 368.503 0.799 20 0 FCADLP C[NH+](C)C1(C(=O)NCc2csc(NC(=O)C3([NH+](C)C)CC3)n2)CC1 ZINC000668613899 493384558 /nfs/dbraw/zinc/38/45/58/493384558.db2.gz YIBJSWFTXFJDBF-UHFFFAOYSA-N 2 2 351.476 0.886 20 0 FCADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[NH+](CCn2cncn2)CC1 ZINC000674096664 493387974 /nfs/dbraw/zinc/38/79/74/493387974.db2.gz WLHXKDBLNKKSNL-GOSISDBHSA-N 2 2 369.473 0.482 20 0 FCADLP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CC[NH+](CCn2cncn2)CC1 ZINC000674096664 493387977 /nfs/dbraw/zinc/38/79/77/493387977.db2.gz WLHXKDBLNKKSNL-GOSISDBHSA-N 2 2 369.473 0.482 20 0 FCADLP Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668640167 493388507 /nfs/dbraw/zinc/38/85/07/493388507.db2.gz PFIGXRQOHNUTJE-GFCCVEGCSA-N 2 2 370.475 0.134 20 0 FCADLP Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668640167 493388509 /nfs/dbraw/zinc/38/85/09/493388509.db2.gz PFIGXRQOHNUTJE-GFCCVEGCSA-N 2 2 370.475 0.134 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000661006518 493401585 /nfs/dbraw/zinc/40/15/85/493401585.db2.gz IGSNOQMQISEFAK-JKSUJKDBSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)C1CC1 ZINC000668776872 493408394 /nfs/dbraw/zinc/40/83/94/493408394.db2.gz KQWOWSFTLFPKCL-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)C1CC1 ZINC000668776872 493408396 /nfs/dbraw/zinc/40/83/96/493408396.db2.gz KQWOWSFTLFPKCL-UHFFFAOYSA-N 2 2 359.474 0.899 20 0 FCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](CO)Cc1ccccc1 ZINC000661095271 493408491 /nfs/dbraw/zinc/40/84/91/493408491.db2.gz YNBUITNBIZVVMU-SFHVURJKSA-N 2 2 363.502 0.749 20 0 FCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](CO)Cc1ccccc1 ZINC000661095271 493408492 /nfs/dbraw/zinc/40/84/92/493408492.db2.gz YNBUITNBIZVVMU-SFHVURJKSA-N 2 2 363.502 0.749 20 0 FCADLP CC(=O)N1CCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375530 493409630 /nfs/dbraw/zinc/40/96/30/493409630.db2.gz QENONWQMWDHNIF-IRXDYDNUSA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)N1CCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375530 493409634 /nfs/dbraw/zinc/40/96/34/493409634.db2.gz QENONWQMWDHNIF-IRXDYDNUSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[N@H+](C)C1CC1 ZINC000668794638 493412544 /nfs/dbraw/zinc/41/25/44/493412544.db2.gz MZQLRDCEIFOZLG-AWEZNQCLSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[N@@H+](C)C1CC1 ZINC000668794638 493412546 /nfs/dbraw/zinc/41/25/46/493412546.db2.gz MZQLRDCEIFOZLG-AWEZNQCLSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1C ZINC000674405981 493413127 /nfs/dbraw/zinc/41/31/27/493413127.db2.gz YKPWFBWXGUFEQS-LSDHHAIUSA-N 2 2 350.467 0.227 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000668811470 493413934 /nfs/dbraw/zinc/41/39/34/493413934.db2.gz AETYEXXSFVFKGB-QGZVFWFLSA-N 2 2 369.469 0.812 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000668811470 493413936 /nfs/dbraw/zinc/41/39/36/493413936.db2.gz AETYEXXSFVFKGB-QGZVFWFLSA-N 2 2 369.469 0.812 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CC1 ZINC000684479223 493414570 /nfs/dbraw/zinc/41/45/70/493414570.db2.gz YANHKSZPIHJQCA-UHFFFAOYSA-N 2 2 371.407 0.996 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000668849449 493421235 /nfs/dbraw/zinc/42/12/35/493421235.db2.gz ISCFEHMOXGWPKG-RYQLBKOJSA-N 2 2 362.474 0.818 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@H+]1C ZINC000668892658 493429723 /nfs/dbraw/zinc/42/97/23/493429723.db2.gz IXUIRTNGNWYFBV-HOCLYGCPSA-N 2 2 359.474 0.897 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596581 493450032 /nfs/dbraw/zinc/45/00/32/493450032.db2.gz DTCODCAPJHFDHJ-WBVHZDCISA-N 2 2 360.458 0.524 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661596581 493450035 /nfs/dbraw/zinc/45/00/35/493450035.db2.gz DTCODCAPJHFDHJ-WBVHZDCISA-N 2 2 360.458 0.524 20 0 FCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H]1COCCO1 ZINC000661607434 493451981 /nfs/dbraw/zinc/45/19/81/493451981.db2.gz ZCBDYPJLHMPNFX-KRWDZBQOSA-N 2 2 369.506 0.485 20 0 FCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H]1COCCO1 ZINC000661607434 493451985 /nfs/dbraw/zinc/45/19/85/493451985.db2.gz ZCBDYPJLHMPNFX-KRWDZBQOSA-N 2 2 369.506 0.485 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000669127677 493465749 /nfs/dbraw/zinc/46/57/49/493465749.db2.gz LVSAKQYYVRWKGI-UHFFFAOYSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000685277273 493471852 /nfs/dbraw/zinc/47/18/52/493471852.db2.gz MQNYQVWAAGRDQM-HOTGVXAUSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000685277273 493471854 /nfs/dbraw/zinc/47/18/54/493471854.db2.gz MQNYQVWAAGRDQM-HOTGVXAUSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000675195811 493472712 /nfs/dbraw/zinc/47/27/12/493472712.db2.gz YZFCVRSDUNMNQX-QGZVFWFLSA-N 2 2 365.522 0.810 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954776 493479424 /nfs/dbraw/zinc/47/94/24/493479424.db2.gz ZJWANIVPJCAHSX-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1 ZINC000661954776 493479427 /nfs/dbraw/zinc/47/94/27/493479427.db2.gz ZJWANIVPJCAHSX-DLBZAZTESA-N 2 2 365.522 0.809 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661967108 493479736 /nfs/dbraw/zinc/47/97/36/493479736.db2.gz BJGANWNENQTUNI-ZIAGYGMSSA-N 2 2 355.446 0.354 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661967108 493479741 /nfs/dbraw/zinc/47/97/41/493479741.db2.gz BJGANWNENQTUNI-ZIAGYGMSSA-N 2 2 355.446 0.354 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661986772 493480866 /nfs/dbraw/zinc/48/08/66/493480866.db2.gz JFFBAAIZMKGTGY-NXHRZFHOSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000662223802 493498433 /nfs/dbraw/zinc/49/84/33/493498433.db2.gz MPBCXIAIZYDKPC-WOJBJXKFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000662223802 493498436 /nfs/dbraw/zinc/49/84/36/493498436.db2.gz MPBCXIAIZYDKPC-WOJBJXKFSA-N 2 2 368.566 0.826 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000669397235 493502370 /nfs/dbraw/zinc/50/23/70/493502370.db2.gz KHNZHPZQHQMFHH-IXDOHACOSA-N 2 2 373.505 0.367 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000662285403 493502810 /nfs/dbraw/zinc/50/28/10/493502810.db2.gz GSBPERDXYBGWQT-UHFFFAOYSA-N 2 2 361.364 0.906 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669430982 493503568 /nfs/dbraw/zinc/50/35/68/493503568.db2.gz MTMPCHGAPZRXKY-MRXNPFEDSA-N 2 2 374.489 0.562 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292351 493504015 /nfs/dbraw/zinc/50/40/15/493504015.db2.gz DXPVGSGRLKDXMW-FVQBIDKESA-N 2 2 357.520 0.390 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292351 493504018 /nfs/dbraw/zinc/50/40/18/493504018.db2.gz DXPVGSGRLKDXMW-FVQBIDKESA-N 2 2 357.520 0.390 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCN2c3ccccc3OCC2=O)[C@@H](C[NH3+])C1 ZINC000669498125 493508343 /nfs/dbraw/zinc/50/83/43/493508343.db2.gz ODXIJUDAGBXXSY-AWEZNQCLSA-N 2 2 361.446 0.086 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCN2c3ccccc3OCC2=O)[C@@H](C[NH3+])C1 ZINC000669498125 493508345 /nfs/dbraw/zinc/50/83/45/493508345.db2.gz ODXIJUDAGBXXSY-AWEZNQCLSA-N 2 2 361.446 0.086 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000662368677 493510604 /nfs/dbraw/zinc/51/06/04/493510604.db2.gz WTVIDHVZSMOCJE-HNNXBMFYSA-N 2 2 350.467 0.289 20 0 FCADLP CCOC1CC(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)([NH+]2CCOCC2)C1 ZINC000669571506 493511423 /nfs/dbraw/zinc/51/14/23/493511423.db2.gz VICNQERKXLQKFC-WMTDPASSSA-N 2 2 354.495 0.825 20 0 FCADLP C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)nc2)CC1 ZINC000662389167 493511701 /nfs/dbraw/zinc/51/17/01/493511701.db2.gz YASWDEXIQVHWPJ-ZDUSSCGKSA-N 2 2 355.446 0.886 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CCO2)CC1 ZINC000662449618 493516754 /nfs/dbraw/zinc/51/67/54/493516754.db2.gz ZPGLUHKQYULSOP-PKOBYXMFSA-N 2 2 358.486 0.696 20 0 FCADLP Cc1c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662534309 493524076 /nfs/dbraw/zinc/52/40/76/493524076.db2.gz JYZHDYKHUJWJBV-CQSZACIVSA-N 2 2 356.434 0.182 20 0 FCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000662672387 493531231 /nfs/dbraw/zinc/53/12/31/493531231.db2.gz YETKUDVMHPFQKW-DLBZAZTESA-N 2 2 360.458 0.570 20 0 FCADLP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704289 493533250 /nfs/dbraw/zinc/53/32/50/493533250.db2.gz YPUUXBUXIMNYLH-MRXNPFEDSA-N 2 2 362.478 0.215 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676251225 493535123 /nfs/dbraw/zinc/53/51/23/493535123.db2.gz LQYVMXIQUSGLLL-KLHDSHLOSA-N 2 2 356.511 0.893 20 0 FCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676251225 493535124 /nfs/dbraw/zinc/53/51/24/493535124.db2.gz LQYVMXIQUSGLLL-KLHDSHLOSA-N 2 2 356.511 0.893 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000662751191 493537765 /nfs/dbraw/zinc/53/77/65/493537765.db2.gz OXSYYBDBZPBLEJ-INIZCTEOSA-N 2 2 370.457 0.511 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000662751191 493537766 /nfs/dbraw/zinc/53/77/66/493537766.db2.gz OXSYYBDBZPBLEJ-INIZCTEOSA-N 2 2 370.457 0.511 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000662751192 493537777 /nfs/dbraw/zinc/53/77/77/493537777.db2.gz OXSYYBDBZPBLEJ-MRXNPFEDSA-N 2 2 370.457 0.511 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC2)C1 ZINC000662751192 493537778 /nfs/dbraw/zinc/53/77/78/493537778.db2.gz OXSYYBDBZPBLEJ-MRXNPFEDSA-N 2 2 370.457 0.511 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278609 493539172 /nfs/dbraw/zinc/53/91/72/493539172.db2.gz IYLRFQJTPYTETJ-OCCSQVGLSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278609 493539175 /nfs/dbraw/zinc/53/91/75/493539175.db2.gz IYLRFQJTPYTETJ-OCCSQVGLSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676288963 493541747 /nfs/dbraw/zinc/54/17/47/493541747.db2.gz BZMQEDZGMPMPNP-UHOSZYNNSA-N 2 2 360.502 0.810 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676288963 493541748 /nfs/dbraw/zinc/54/17/48/493541748.db2.gz BZMQEDZGMPMPNP-UHOSZYNNSA-N 2 2 360.502 0.810 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000676288476 493541960 /nfs/dbraw/zinc/54/19/60/493541960.db2.gz NLBBJFZSRKFOSC-IXDOHACOSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000676288476 493541962 /nfs/dbraw/zinc/54/19/62/493541962.db2.gz NLBBJFZSRKFOSC-IXDOHACOSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676288476 493541963 /nfs/dbraw/zinc/54/19/63/493541963.db2.gz NLBBJFZSRKFOSC-IXDOHACOSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676288476 493541964 /nfs/dbraw/zinc/54/19/64/493541964.db2.gz NLBBJFZSRKFOSC-IXDOHACOSA-N 2 2 355.527 0.277 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662786993 493542061 /nfs/dbraw/zinc/54/20/61/493542061.db2.gz BKHOWCOJCXPAQA-CQSZACIVSA-N 2 2 350.385 0.199 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662786993 493542062 /nfs/dbraw/zinc/54/20/62/493542062.db2.gz BKHOWCOJCXPAQA-CQSZACIVSA-N 2 2 350.385 0.199 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662797357 493542716 /nfs/dbraw/zinc/54/27/16/493542716.db2.gz YILQWOVXXRQOPK-ZWKOTPCHSA-N 2 2 363.458 0.582 20 0 FCADLP C[C@](O)(CNc1nc(NCCO)c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000676351695 493547205 /nfs/dbraw/zinc/54/72/05/493547205.db2.gz PYTNVNAHNZPUKN-SFHVURJKSA-N 2 2 361.446 0.529 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[NH+](C)Cc3ccccc31)CC2 ZINC000670438336 493567342 /nfs/dbraw/zinc/56/73/42/493567342.db2.gz GDZDRUADWSTMFC-SOLBZPMBSA-N 2 2 356.470 0.984 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[NH+](C)Cc3ccccc31)CC2 ZINC000670438336 493567343 /nfs/dbraw/zinc/56/73/43/493567343.db2.gz GDZDRUADWSTMFC-SOLBZPMBSA-N 2 2 356.470 0.984 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc3ccccc31)CC2 ZINC000670438336 493567345 /nfs/dbraw/zinc/56/73/45/493567345.db2.gz GDZDRUADWSTMFC-SOLBZPMBSA-N 2 2 356.470 0.984 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc3ccccc31)CC2 ZINC000670438336 493567347 /nfs/dbraw/zinc/56/73/47/493567347.db2.gz GDZDRUADWSTMFC-SOLBZPMBSA-N 2 2 356.470 0.984 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000670473142 493570881 /nfs/dbraw/zinc/57/08/81/493570881.db2.gz BTFYJJBCJICJMG-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813788 493572447 /nfs/dbraw/zinc/57/24/47/493572447.db2.gz HUDYONDCZSHSFO-WBVHZDCISA-N 2 2 360.506 0.776 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000676813788 493572448 /nfs/dbraw/zinc/57/24/48/493572448.db2.gz HUDYONDCZSHSFO-WBVHZDCISA-N 2 2 360.506 0.776 20 0 FCADLP CN(C(=O)C(=O)NCc1cccs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670504832 493575691 /nfs/dbraw/zinc/57/56/91/493575691.db2.gz CNYFZZSURPWKAQ-OAHLLOKOSA-N 2 2 364.515 0.991 20 0 FCADLP CN(C(=O)C(=O)NCc1cccs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670504832 493575692 /nfs/dbraw/zinc/57/56/92/493575692.db2.gz CNYFZZSURPWKAQ-OAHLLOKOSA-N 2 2 364.515 0.991 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000670628948 493581704 /nfs/dbraw/zinc/58/17/04/493581704.db2.gz BMJMHPDMLODDGH-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000670628948 493581707 /nfs/dbraw/zinc/58/17/07/493581707.db2.gz BMJMHPDMLODDGH-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000670628948 493581710 /nfs/dbraw/zinc/58/17/10/493581710.db2.gz BMJMHPDMLODDGH-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000670628948 493581713 /nfs/dbraw/zinc/58/17/13/493581713.db2.gz BMJMHPDMLODDGH-RYQLBKOJSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000663304833 493583802 /nfs/dbraw/zinc/58/38/02/493583802.db2.gz STQSJADXIUXVLN-SUMWQHHRSA-N 2 2 360.458 0.955 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)c(N2CCCC2)[nH+]1 ZINC000670639856 493584360 /nfs/dbraw/zinc/58/43/60/493584360.db2.gz CZXMVJAPAXFHNN-UHFFFAOYSA-N 2 2 356.430 0.619 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000677184306 493588597 /nfs/dbraw/zinc/58/85/97/493588597.db2.gz ZYOMNKOBNYUQTK-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000677184306 493588598 /nfs/dbraw/zinc/58/85/98/493588598.db2.gz ZYOMNKOBNYUQTK-IRXDYDNUSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000663480153 493591771 /nfs/dbraw/zinc/59/17/71/493591771.db2.gz NGBOMROLASQMDC-DLBZAZTESA-N 2 2 354.495 0.459 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000663480153 493591772 /nfs/dbraw/zinc/59/17/72/493591772.db2.gz NGBOMROLASQMDC-DLBZAZTESA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H]1C[NH+](CCNc2cnc(NCC[N@@H+]3CCO[C@@H](C)C3)cn2)CCO1 ZINC000663518596 493593871 /nfs/dbraw/zinc/59/38/71/493593871.db2.gz TWMUCMYQEYRXAY-HOTGVXAUSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@H]1C[NH+](CCNc2cnc(NCC[N@H+]3CCO[C@@H](C)C3)cn2)CCO1 ZINC000663518596 493593874 /nfs/dbraw/zinc/59/38/74/493593874.db2.gz TWMUCMYQEYRXAY-HOTGVXAUSA-N 2 2 364.494 0.742 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663558118 493598358 /nfs/dbraw/zinc/59/83/58/493598358.db2.gz IYQJMLNLRNZEFY-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663558118 493598359 /nfs/dbraw/zinc/59/83/59/493598359.db2.gz IYQJMLNLRNZEFY-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000663558118 493598360 /nfs/dbraw/zinc/59/83/60/493598360.db2.gz IYQJMLNLRNZEFY-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)CO1 ZINC000663558118 493598361 /nfs/dbraw/zinc/59/83/61/493598361.db2.gz IYQJMLNLRNZEFY-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000663614515 493604447 /nfs/dbraw/zinc/60/44/47/493604447.db2.gz WYSBNDDMBOWILD-IFXJQAMLSA-N 2 2 360.458 0.887 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663656713 493610667 /nfs/dbraw/zinc/61/06/67/493610667.db2.gz XFOXKWTUXCYLEH-QZTJIDSGSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663656713 493610669 /nfs/dbraw/zinc/61/06/69/493610669.db2.gz XFOXKWTUXCYLEH-QZTJIDSGSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663656713 493610672 /nfs/dbraw/zinc/61/06/72/493610672.db2.gz XFOXKWTUXCYLEH-QZTJIDSGSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663656713 493610674 /nfs/dbraw/zinc/61/06/74/493610674.db2.gz XFOXKWTUXCYLEH-QZTJIDSGSA-N 2 2 369.554 0.813 20 0 FCADLP CC1(O)CCN(c2cc(N3CC[C@@H](C[NH+]4CCOCC4)C3)nc[nH+]2)CC1 ZINC000663666114 493611167 /nfs/dbraw/zinc/61/11/67/493611167.db2.gz QBUAPJQGMUCVIO-INIZCTEOSA-N 2 2 361.490 0.986 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccsc3)C2)CC1 ZINC000670914809 493611362 /nfs/dbraw/zinc/61/13/62/493611362.db2.gz BGEICFKUCHAODQ-AWEZNQCLSA-N 2 2 350.488 0.649 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccsc3)C2)CC1 ZINC000670914809 493611365 /nfs/dbraw/zinc/61/13/65/493611365.db2.gz BGEICFKUCHAODQ-AWEZNQCLSA-N 2 2 350.488 0.649 20 0 FCADLP Cc1c(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]c1NC[C@](C)(O)C[NH+](C)C ZINC000663741711 493615929 /nfs/dbraw/zinc/61/59/29/493615929.db2.gz OJBGFPNFISNZAO-CALCHBBNSA-N 3 2 354.499 0.234 20 0 FCADLP Cc1c(NC[C@](C)(O)C[NH+](C)C)nc[nH+]c1NC[C@@](C)(O)C[NH+](C)C ZINC000663741711 493615930 /nfs/dbraw/zinc/61/59/30/493615930.db2.gz OJBGFPNFISNZAO-CALCHBBNSA-N 3 2 354.499 0.234 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000670983037 493618919 /nfs/dbraw/zinc/61/89/19/493618919.db2.gz XNJXDHGKRJIQCD-MRXNPFEDSA-N 2 2 357.414 0.773 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)N(CCO)CC[NH+]1CCOCC1 ZINC000677897620 493622676 /nfs/dbraw/zinc/62/26/76/493622676.db2.gz LCRQUCIWHKRKIU-UHFFFAOYSA-N 2 2 362.474 0.338 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000671036538 493626144 /nfs/dbraw/zinc/62/61/44/493626144.db2.gz YGZRLZARKUDJQJ-OAHLLOKOSA-N 2 2 362.474 0.531 20 0 FCADLP Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000671036538 493626145 /nfs/dbraw/zinc/62/61/45/493626145.db2.gz YGZRLZARKUDJQJ-OAHLLOKOSA-N 2 2 362.474 0.531 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065195 493628779 /nfs/dbraw/zinc/62/87/79/493628779.db2.gz JDOKLTXWJMUCOR-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065195 493628780 /nfs/dbraw/zinc/62/87/80/493628780.db2.gz JDOKLTXWJMUCOR-SFHVURJKSA-N 2 2 373.501 0.633 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104704 493634629 /nfs/dbraw/zinc/63/46/29/493634629.db2.gz KJDLQWVYTVVUKC-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104704 493634632 /nfs/dbraw/zinc/63/46/32/493634632.db2.gz KJDLQWVYTVVUKC-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104731 493634857 /nfs/dbraw/zinc/63/48/57/493634857.db2.gz KJDLQWVYTVVUKC-JKSUJKDBSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671104731 493634859 /nfs/dbraw/zinc/63/48/59/493634859.db2.gz KJDLQWVYTVVUKC-JKSUJKDBSA-N 2 2 357.458 0.473 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129344 493638424 /nfs/dbraw/zinc/63/84/24/493638424.db2.gz FRVYCSMABNGINO-GVDBMIGSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129344 493638425 /nfs/dbraw/zinc/63/84/25/493638425.db2.gz FRVYCSMABNGINO-GVDBMIGSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129344 493638426 /nfs/dbraw/zinc/63/84/26/493638426.db2.gz FRVYCSMABNGINO-GVDBMIGSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000664129344 493638427 /nfs/dbraw/zinc/63/84/27/493638427.db2.gz FRVYCSMABNGINO-GVDBMIGSSA-N 3 2 367.538 0.563 20 0 FCADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221542 493646144 /nfs/dbraw/zinc/64/61/44/493646144.db2.gz QUARQFPSIVTMAH-IKGGRYGDSA-N 2 2 355.527 0.278 20 0 FCADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000664221542 493646146 /nfs/dbraw/zinc/64/61/46/493646146.db2.gz QUARQFPSIVTMAH-IKGGRYGDSA-N 2 2 355.527 0.278 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671337591 493656757 /nfs/dbraw/zinc/65/67/57/493656757.db2.gz ZCPWOOUCDKVYLM-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671337591 493656758 /nfs/dbraw/zinc/65/67/58/493656758.db2.gz ZCPWOOUCDKVYLM-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000671344776 493657912 /nfs/dbraw/zinc/65/79/12/493657912.db2.gz VLGSRGDCRJXKFU-WMLDXEAASA-N 2 2 371.441 0.324 20 0 FCADLP C[C@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671344776 493657913 /nfs/dbraw/zinc/65/79/13/493657913.db2.gz VLGSRGDCRJXKFU-WMLDXEAASA-N 2 2 371.441 0.324 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)[nH+]c2c1 ZINC000671358207 493659819 /nfs/dbraw/zinc/65/98/19/493659819.db2.gz FQGFPAWMQOKUTK-DZGCQCFKSA-N 2 2 359.430 0.094 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)[nH+]c2c1 ZINC000671358207 493659821 /nfs/dbraw/zinc/65/98/21/493659821.db2.gz FQGFPAWMQOKUTK-DZGCQCFKSA-N 2 2 359.430 0.094 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000671376028 493661761 /nfs/dbraw/zinc/66/17/61/493661761.db2.gz VMCUSBWXLPJFRL-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000671376028 493661763 /nfs/dbraw/zinc/66/17/63/493661763.db2.gz VMCUSBWXLPJFRL-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600258 493670882 /nfs/dbraw/zinc/67/08/82/493670882.db2.gz SPYXJUDNKGQABO-RDJZCZTQSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600258 493670885 /nfs/dbraw/zinc/67/08/85/493670885.db2.gz SPYXJUDNKGQABO-RDJZCZTQSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600258 493670890 /nfs/dbraw/zinc/67/08/90/493670890.db2.gz SPYXJUDNKGQABO-RDJZCZTQSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600258 493670892 /nfs/dbraw/zinc/67/08/92/493670892.db2.gz SPYXJUDNKGQABO-RDJZCZTQSA-N 2 2 361.490 0.721 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)C[NH+]1CCOCC1 ZINC000679506077 493683558 /nfs/dbraw/zinc/68/35/58/493683558.db2.gz PNMADHPXEGIRJT-CQSZACIVSA-N 2 2 372.429 0.290 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CC(N)=O)CC3)C2)CC1 ZINC000671582034 493692311 /nfs/dbraw/zinc/69/23/11/493692311.db2.gz XXKATUIZFQOZOC-JKSUJKDBSA-N 2 2 365.522 0.842 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CC(N)=O)CC3)C2)CC1 ZINC000671582034 493692312 /nfs/dbraw/zinc/69/23/12/493692312.db2.gz XXKATUIZFQOZOC-JKSUJKDBSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000679709875 493692545 /nfs/dbraw/zinc/69/25/45/493692545.db2.gz IMHXDRHROXKRGI-INIZCTEOSA-N 2 2 363.506 0.586 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000679709875 493692546 /nfs/dbraw/zinc/69/25/46/493692546.db2.gz IMHXDRHROXKRGI-INIZCTEOSA-N 2 2 363.506 0.586 20 0 FCADLP COC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000679794104 493695965 /nfs/dbraw/zinc/69/59/65/493695965.db2.gz FWGSZHRJAREUKG-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP CC[NH+]1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](CC)CC3)c2N)CC1 ZINC000665071257 493697503 /nfs/dbraw/zinc/69/75/03/493697503.db2.gz RXKQVVBZCKUPCE-UHFFFAOYSA-N 2 2 373.501 0.824 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236322 493706277 /nfs/dbraw/zinc/70/62/77/493706277.db2.gz KGVOUJWFZGAWRM-YPMHNXCESA-N 2 2 371.279 0.931 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671820099 493707763 /nfs/dbraw/zinc/70/77/63/493707763.db2.gz GNGZUBJZRIXRIR-RDJZCZTQSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671820099 493707765 /nfs/dbraw/zinc/70/77/65/493707765.db2.gz GNGZUBJZRIXRIR-RDJZCZTQSA-N 3 2 367.538 0.070 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000671849226 493708653 /nfs/dbraw/zinc/70/86/53/493708653.db2.gz YLWCBWFPCSYWPV-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP CCCN1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368047 493712487 /nfs/dbraw/zinc/71/24/87/493712487.db2.gz CEDWORJGMIEBKQ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP CCCN1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000665368047 493712488 /nfs/dbraw/zinc/71/24/88/493712488.db2.gz CEDWORJGMIEBKQ-DOTOQJQBSA-N 2 2 350.507 0.872 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000680328789 493714058 /nfs/dbraw/zinc/71/40/58/493714058.db2.gz FYZJQUVDIYRBRK-UHFFFAOYSA-N 2 2 371.489 0.611 20 0 FCADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000681113433 493745562 /nfs/dbraw/zinc/74/55/62/493745562.db2.gz UFYNBHFXMIIHGO-OAHLLOKOSA-N 2 2 362.474 0.697 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241720 493746114 /nfs/dbraw/zinc/74/61/14/493746114.db2.gz KSBBUXNTLWNFNE-NWDGAFQWSA-N 2 2 373.379 0.614 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000672241720 493746116 /nfs/dbraw/zinc/74/61/16/493746116.db2.gz KSBBUXNTLWNFNE-NWDGAFQWSA-N 2 2 373.379 0.614 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216768 493751192 /nfs/dbraw/zinc/75/11/92/493751192.db2.gz KSEBWBQTIVBLAQ-INIZCTEOSA-N 2 2 374.489 0.490 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216768 493751194 /nfs/dbraw/zinc/75/11/94/493751194.db2.gz KSEBWBQTIVBLAQ-INIZCTEOSA-N 2 2 374.489 0.490 20 0 FCADLP COC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000681216667 493751275 /nfs/dbraw/zinc/75/12/75/493751275.db2.gz IXVXIFKWSJFJHP-KRWDZBQOSA-N 2 2 368.522 0.992 20 0 FCADLP COC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000681216667 493751278 /nfs/dbraw/zinc/75/12/78/493751278.db2.gz IXVXIFKWSJFJHP-KRWDZBQOSA-N 2 2 368.522 0.992 20 0 FCADLP COC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000681216668 493751544 /nfs/dbraw/zinc/75/15/44/493751544.db2.gz IXVXIFKWSJFJHP-QGZVFWFLSA-N 2 2 368.522 0.992 20 0 FCADLP COC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000681216668 493751545 /nfs/dbraw/zinc/75/15/45/493751545.db2.gz IXVXIFKWSJFJHP-QGZVFWFLSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCC[NH+]1CCSCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218269 493752145 /nfs/dbraw/zinc/75/21/45/493752145.db2.gz JMHSPKFTPCPZBP-KRWDZBQOSA-N 3 2 369.579 0.845 20 0 FCADLP CN(C(=O)NCC[NH+]1CCSCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218269 493752148 /nfs/dbraw/zinc/75/21/48/493752148.db2.gz JMHSPKFTPCPZBP-KRWDZBQOSA-N 3 2 369.579 0.845 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672311182 493754903 /nfs/dbraw/zinc/75/49/03/493754903.db2.gz ZLLHJJQFXMUBRF-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672311182 493754904 /nfs/dbraw/zinc/75/49/04/493754904.db2.gz ZLLHJJQFXMUBRF-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672311182 493754907 /nfs/dbraw/zinc/75/49/07/493754907.db2.gz ZLLHJJQFXMUBRF-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672311182 493754909 /nfs/dbraw/zinc/75/49/09/493754909.db2.gz ZLLHJJQFXMUBRF-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000672310759 493755134 /nfs/dbraw/zinc/75/51/34/493755134.db2.gz HGOFOKIJQCAWGK-MRXNPFEDSA-N 2 2 357.458 0.331 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000672310759 493755137 /nfs/dbraw/zinc/75/51/37/493755137.db2.gz HGOFOKIJQCAWGK-MRXNPFEDSA-N 2 2 357.458 0.331 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000672320033 493756107 /nfs/dbraw/zinc/75/61/07/493756107.db2.gz FDVDOYIZQYILDX-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000672319593 493756390 /nfs/dbraw/zinc/75/63/90/493756390.db2.gz SBDXDGOWMVRYSI-RLFYNMQTSA-N 2 2 374.485 0.515 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000672319593 493756392 /nfs/dbraw/zinc/75/63/92/493756392.db2.gz SBDXDGOWMVRYSI-RLFYNMQTSA-N 2 2 374.485 0.515 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000681390483 493759019 /nfs/dbraw/zinc/75/90/19/493759019.db2.gz MQJFUWJPPYTRDK-CQSZACIVSA-N 2 2 355.435 0.408 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC3(O)CCOCC3)C2)CC1 ZINC000672427635 493767044 /nfs/dbraw/zinc/76/70/44/493767044.db2.gz VZQPGJCSAMMQMB-OAHLLOKOSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC3(O)CCOCC3)C2)CC1 ZINC000672427635 493767048 /nfs/dbraw/zinc/76/70/48/493767048.db2.gz VZQPGJCSAMMQMB-OAHLLOKOSA-N 2 2 354.495 0.386 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410892179 533851257 /nfs/dbraw/zinc/85/12/57/533851257.db2.gz VLZBLOSTINQFGE-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000410889970 533851605 /nfs/dbraw/zinc/85/16/05/533851605.db2.gz OTOQOBSCDCCMNB-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410889970 533851610 /nfs/dbraw/zinc/85/16/10/533851610.db2.gz OTOQOBSCDCCMNB-DLBZAZTESA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000413316567 534096585 /nfs/dbraw/zinc/09/65/85/534096585.db2.gz PTZFWWKNEXVVCR-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000413316567 534096591 /nfs/dbraw/zinc/09/65/91/534096591.db2.gz PTZFWWKNEXVVCR-MRXNPFEDSA-N 2 2 355.527 0.280 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410575434 534809881 /nfs/dbraw/zinc/80/98/81/534809881.db2.gz UDPCXXBCXWJPHF-KRWDZBQOSA-N 2 2 358.442 0.758 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000410430035 527344323 /nfs/dbraw/zinc/34/43/23/527344323.db2.gz BTCPRKMFSVMBBZ-AWEZNQCLSA-N 2 2 363.462 0.378 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC000410926359 527770389 /nfs/dbraw/zinc/77/03/89/527770389.db2.gz PKATYNQCINXACA-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC[N@H+]1CCOC ZINC000410926359 527770391 /nfs/dbraw/zinc/77/03/91/527770391.db2.gz PKATYNQCINXACA-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700089 527921470 /nfs/dbraw/zinc/92/14/70/527921470.db2.gz JDTBOVOZOCCFHY-VVLHAWIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700089 527921475 /nfs/dbraw/zinc/92/14/75/527921475.db2.gz JDTBOVOZOCCFHY-VVLHAWIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700089 527921478 /nfs/dbraw/zinc/92/14/78/527921478.db2.gz JDTBOVOZOCCFHY-VVLHAWIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000410700089 527921480 /nfs/dbraw/zinc/92/14/80/527921480.db2.gz JDTBOVOZOCCFHY-VVLHAWIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413054658 528017118 /nfs/dbraw/zinc/01/71/18/528017118.db2.gz OLEAQUSRRXIKDM-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413054658 528017121 /nfs/dbraw/zinc/01/71/21/528017121.db2.gz OLEAQUSRRXIKDM-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000410775125 528101813 /nfs/dbraw/zinc/10/18/13/528101813.db2.gz KCRWICTYXPRTGF-INIZCTEOSA-N 2 2 356.511 0.092 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000410886245 528887449 /nfs/dbraw/zinc/88/74/49/528887449.db2.gz FSEVUJGCMVTAMO-KRWDZBQOSA-N 2 2 370.538 0.743 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410953357 529118947 /nfs/dbraw/zinc/11/89/47/529118947.db2.gz LFCNJVDAONTNLV-ZNMIVQPWSA-N 2 2 362.478 0.166 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410953357 529118951 /nfs/dbraw/zinc/11/89/51/529118951.db2.gz LFCNJVDAONTNLV-ZNMIVQPWSA-N 2 2 362.478 0.166 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410677152 529119514 /nfs/dbraw/zinc/11/95/14/529119514.db2.gz QSIFXIIRHBDZAN-SOUVJXGZSA-N 2 2 362.478 0.023 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC(=O)c3ccccc3)C2)CC1 ZINC000155663976 529151560 /nfs/dbraw/zinc/15/15/60/529151560.db2.gz OXKMKZHQFXYXSW-GOSISDBHSA-N 2 2 358.486 0.697 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC(=O)c3ccccc3)C2)CC1 ZINC000155663976 529151561 /nfs/dbraw/zinc/15/15/61/529151561.db2.gz OXKMKZHQFXYXSW-GOSISDBHSA-N 2 2 358.486 0.697 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410939674 529350840 /nfs/dbraw/zinc/35/08/40/529350840.db2.gz WAAAMFYOBONRTD-HZPDHXFCSA-N 2 2 368.522 0.233 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000410939674 529350845 /nfs/dbraw/zinc/35/08/45/529350845.db2.gz WAAAMFYOBONRTD-HZPDHXFCSA-N 2 2 368.522 0.233 20 0 FCADLP CC(C)(C[NH3+])NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417315657 535068966 /nfs/dbraw/zinc/06/89/66/535068966.db2.gz CWPIZRQQPZRRRH-UHFFFAOYSA-N 2 2 350.463 0.934 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1C ZINC000459914047 535210588 /nfs/dbraw/zinc/21/05/88/535210588.db2.gz KNVQNIPXOSSSOD-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC[N@H+]1C ZINC000459914047 535210594 /nfs/dbraw/zinc/21/05/94/535210594.db2.gz KNVQNIPXOSSSOD-QGZVFWFLSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000423323905 535429894 /nfs/dbraw/zinc/42/98/94/535429894.db2.gz PEMJQKLGOWFUMP-GOSISDBHSA-N 2 2 354.495 0.015 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000423323905 535429897 /nfs/dbraw/zinc/42/98/97/535429897.db2.gz PEMJQKLGOWFUMP-GOSISDBHSA-N 2 2 354.495 0.015 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419128644 535509795 /nfs/dbraw/zinc/50/97/95/535509795.db2.gz WVJCRHHWZJACJC-OAHLLOKOSA-N 2 2 357.458 0.704 20 0 FCADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000418650070 535978001 /nfs/dbraw/zinc/97/80/01/535978001.db2.gz JWRWYZXIKIBPGB-INIZCTEOSA-N 2 2 361.490 0.840 20 0 FCADLP CN(C(=O)CN1CN=NC1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444234763 536013553 /nfs/dbraw/zinc/01/35/53/536013553.db2.gz FGEYWVCVNUOJSE-HZPDHXFCSA-N 2 2 364.494 0.779 20 0 FCADLP CN(C(=O)CN1CN=NC1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444234763 536013557 /nfs/dbraw/zinc/01/35/57/536013557.db2.gz FGEYWVCVNUOJSE-HZPDHXFCSA-N 2 2 364.494 0.779 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000419148816 536369024 /nfs/dbraw/zinc/36/90/24/536369024.db2.gz JIWMADUTLQCYLO-MRXNPFEDSA-N 2 2 355.442 0.562 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940310 546872319 /nfs/dbraw/zinc/87/23/19/546872319.db2.gz STGFSVXQZJLKCR-HOCLYGCPSA-N 2 2 368.503 0.052 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647940310 546872323 /nfs/dbraw/zinc/87/23/23/546872323.db2.gz STGFSVXQZJLKCR-HOCLYGCPSA-N 2 2 368.503 0.052 20 0 FCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281495 547050621 /nfs/dbraw/zinc/05/06/21/547050621.db2.gz BBTULMKLJIJQEV-PBHICJAKSA-N 2 2 353.488 0.944 20 0 FCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000547281495 547050629 /nfs/dbraw/zinc/05/06/29/547050629.db2.gz BBTULMKLJIJQEV-PBHICJAKSA-N 2 2 353.488 0.944 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548764274 547063557 /nfs/dbraw/zinc/06/35/57/547063557.db2.gz FYVGUQLBTIIZES-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548764274 547063562 /nfs/dbraw/zinc/06/35/62/547063562.db2.gz FYVGUQLBTIIZES-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000549978381 547075916 /nfs/dbraw/zinc/07/59/16/547075916.db2.gz ZUFXYDZEWXVDCW-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000549978381 547075918 /nfs/dbraw/zinc/07/59/18/547075918.db2.gz ZUFXYDZEWXVDCW-LSDHHAIUSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000550352455 547083942 /nfs/dbraw/zinc/08/39/42/547083942.db2.gz CDJYDXUUFHBNCQ-MRXNPFEDSA-N 2 2 356.511 0.401 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663633 547095375 /nfs/dbraw/zinc/09/53/75/547095375.db2.gz MUPQJHWNPYNGPU-HOCLYGCPSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663633 547095379 /nfs/dbraw/zinc/09/53/79/547095379.db2.gz MUPQJHWNPYNGPU-HOCLYGCPSA-N 2 2 354.495 0.058 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000552499132 547212813 /nfs/dbraw/zinc/21/28/13/547212813.db2.gz VLXOLWUCTKQJNS-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(C)C3=O)CC2)C[C@H](C)O1 ZINC000552586858 547217970 /nfs/dbraw/zinc/21/79/70/547217970.db2.gz PABWNESOXNKUEE-IJEWVQPXSA-N 2 2 353.463 0.334 20 0 FCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CC(=O)N(C)C3=O)CC2)C[C@H](C)O1 ZINC000552586858 547217975 /nfs/dbraw/zinc/21/79/75/547217975.db2.gz PABWNESOXNKUEE-IJEWVQPXSA-N 2 2 353.463 0.334 20 0 FCADLP CC[C@H](CSC)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000552862044 547235974 /nfs/dbraw/zinc/23/59/74/547235974.db2.gz YRGURCAAXJNZMN-CQSZACIVSA-N 2 2 370.563 0.919 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000553617411 547294661 /nfs/dbraw/zinc/29/46/61/547294661.db2.gz BVWHLXRKFHPKMD-RRFJBIMHSA-N 2 2 356.511 0.304 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccco1 ZINC000162329942 547390719 /nfs/dbraw/zinc/39/07/19/547390719.db2.gz WMFNYUUEMYSJLI-HNNXBMFYSA-N 2 2 354.451 0.218 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000279378558 547395806 /nfs/dbraw/zinc/39/58/06/547395806.db2.gz UAEQMCNZYWJCNR-OAHLLOKOSA-N 2 2 350.463 0.815 20 0 FCADLP C[NH+](C)CCc1ccccc1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000446569662 568031535 /nfs/dbraw/zinc/03/15/35/568031535.db2.gz QOXOVIQLRLLJSL-UHFFFAOYSA-N 2 2 364.490 0.949 20 0 FCADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000431934013 568398140 /nfs/dbraw/zinc/39/81/40/568398140.db2.gz CRCXSHOEFWMXKK-ZVABZFSXSA-N 2 2 366.506 0.927 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736748918 598275287 /nfs/dbraw/zinc/27/52/87/598275287.db2.gz ZFKATCQFACGJOA-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736748918 598275288 /nfs/dbraw/zinc/27/52/88/598275288.db2.gz ZFKATCQFACGJOA-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP Cc1nnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1C ZINC000737523435 598773495 /nfs/dbraw/zinc/77/34/95/598773495.db2.gz XOKHNSDITAZABC-CYBMUJFWSA-N 2 2 357.466 0.854 20 0 FCADLP Cc1nnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1C ZINC000737523435 598773497 /nfs/dbraw/zinc/77/34/97/598773497.db2.gz XOKHNSDITAZABC-CYBMUJFWSA-N 2 2 357.466 0.854 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736849422 598814546 /nfs/dbraw/zinc/81/45/46/598814546.db2.gz UJECXADMAYEZSK-INIZCTEOSA-N 2 2 355.446 0.463 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736849422 598814547 /nfs/dbraw/zinc/81/45/47/598814547.db2.gz UJECXADMAYEZSK-INIZCTEOSA-N 2 2 355.446 0.463 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000821586170 599697868 /nfs/dbraw/zinc/69/78/68/599697868.db2.gz MRKDGAHICWGRBD-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000821586170 599697869 /nfs/dbraw/zinc/69/78/69/599697869.db2.gz MRKDGAHICWGRBD-MRXNPFEDSA-N 2 2 373.461 0.088 20 0 FCADLP CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC000956569146 674526560 /nfs/dbraw/zinc/52/65/60/674526560.db2.gz ZPSUXLGBQDUCFL-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC000956569146 674526562 /nfs/dbraw/zinc/52/65/62/674526562.db2.gz ZPSUXLGBQDUCFL-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP O=C1[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823512616 606305962 /nfs/dbraw/zinc/30/59/62/606305962.db2.gz PPTQKKICJDJJRZ-PWSUYJOCSA-N 2 2 370.442 0.835 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000821581357 606833278 /nfs/dbraw/zinc/83/32/78/606833278.db2.gz JHSZOPOVUXDCAN-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479736 606860509 /nfs/dbraw/zinc/86/05/09/606860509.db2.gz BOECIIBHTUUNCX-DYVFJYSZSA-N 2 2 360.462 0.677 20 0 FCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820479736 606860510 /nfs/dbraw/zinc/86/05/10/606860510.db2.gz BOECIIBHTUUNCX-DYVFJYSZSA-N 2 2 360.462 0.677 20 0 FCADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824288759 608258021 /nfs/dbraw/zinc/25/80/21/608258021.db2.gz NGBSNYFJYIZBPM-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824288759 608258022 /nfs/dbraw/zinc/25/80/22/608258022.db2.gz NGBSNYFJYIZBPM-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000891411378 663385724 /nfs/dbraw/zinc/38/57/24/663385724.db2.gz HSPGGURHBFMHGN-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000891515296 663411065 /nfs/dbraw/zinc/41/10/65/663411065.db2.gz AKJKMQPZGPRIQC-QNWHQSFQSA-N 2 2 352.401 0.874 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891536113 663412517 /nfs/dbraw/zinc/41/25/17/663412517.db2.gz CYBFKKUIGPUKBC-ZBFHGGJFSA-N 2 2 358.508 0.079 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559639 663415517 /nfs/dbraw/zinc/41/55/17/663415517.db2.gz GSYOXMXGXLXXMB-UONOGXRCSA-N 3 2 359.465 0.699 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000891559639 663415518 /nfs/dbraw/zinc/41/55/18/663415518.db2.gz GSYOXMXGXLXXMB-UONOGXRCSA-N 3 2 359.465 0.699 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022276343 663429300 /nfs/dbraw/zinc/42/93/00/663429300.db2.gz HQGMHALJSAQELU-APIJFGDWSA-N 2 2 350.467 0.315 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022276343 663429301 /nfs/dbraw/zinc/42/93/01/663429301.db2.gz HQGMHALJSAQELU-APIJFGDWSA-N 2 2 350.467 0.315 20 0 FCADLP [NH3+]C1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCOCC1 ZINC000892276344 663517847 /nfs/dbraw/zinc/51/78/47/663517847.db2.gz DGBVSLGXTLJDEM-UHFFFAOYSA-N 2 2 365.503 0.942 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023451349 663628517 /nfs/dbraw/zinc/62/85/17/663628517.db2.gz OYAKLSSTXBLTDC-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023451349 663628520 /nfs/dbraw/zinc/62/85/20/663628520.db2.gz OYAKLSSTXBLTDC-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023451349 663628521 /nfs/dbraw/zinc/62/85/21/663628521.db2.gz OYAKLSSTXBLTDC-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023451349 663628523 /nfs/dbraw/zinc/62/85/23/663628523.db2.gz OYAKLSSTXBLTDC-BPLDGKMQSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn(C)n2)O1 ZINC001024999194 664035184 /nfs/dbraw/zinc/03/51/84/664035184.db2.gz UGQBOBKFGHQRQB-FVQBIDKESA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnn(C)n2)O1 ZINC001024999194 664035188 /nfs/dbraw/zinc/03/51/88/664035188.db2.gz UGQBOBKFGHQRQB-FVQBIDKESA-N 2 2 350.467 0.005 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892758261 664137808 /nfs/dbraw/zinc/13/78/08/664137808.db2.gz OMVKKYJXDLFXKZ-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892758261 664137810 /nfs/dbraw/zinc/13/78/10/664137810.db2.gz OMVKKYJXDLFXKZ-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892758261 664137813 /nfs/dbraw/zinc/13/78/13/664137813.db2.gz OMVKKYJXDLFXKZ-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892758261 664137815 /nfs/dbraw/zinc/13/78/15/664137815.db2.gz OMVKKYJXDLFXKZ-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760346 664138626 /nfs/dbraw/zinc/13/86/26/664138626.db2.gz SPQPWTWODZVREA-XHSDSOJGSA-N 2 2 352.479 0.308 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760346 664138627 /nfs/dbraw/zinc/13/86/27/664138627.db2.gz SPQPWTWODZVREA-XHSDSOJGSA-N 2 2 352.479 0.308 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)CC2(C)C)CC[N@@H+]1C ZINC000974600323 664267973 /nfs/dbraw/zinc/26/79/73/664267973.db2.gz PJTOUQYUAGBOMR-RRFJBIMHSA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)CC2(C)C)CC[N@H+]1C ZINC000974600323 664267975 /nfs/dbraw/zinc/26/79/75/664267975.db2.gz PJTOUQYUAGBOMR-RRFJBIMHSA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC000974600323 664267978 /nfs/dbraw/zinc/26/79/78/664267978.db2.gz PJTOUQYUAGBOMR-RRFJBIMHSA-N 2 2 359.536 0.588 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)CC2(C)C)CC[NH+]1C ZINC000974600323 664267981 /nfs/dbraw/zinc/26/79/81/664267981.db2.gz PJTOUQYUAGBOMR-RRFJBIMHSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001026915091 664277068 /nfs/dbraw/zinc/27/70/68/664277068.db2.gz LEIRQSZTKIFVCA-XJKCOSOUSA-N 2 2 369.897 0.731 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC001026915091 664277069 /nfs/dbraw/zinc/27/70/69/664277069.db2.gz LEIRQSZTKIFVCA-XJKCOSOUSA-N 2 2 369.897 0.731 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916905 664277699 /nfs/dbraw/zinc/27/76/99/664277699.db2.gz RGRKHQZVRZRUEN-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916905 664277701 /nfs/dbraw/zinc/27/77/01/664277701.db2.gz RGRKHQZVRZRUEN-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC000960045984 674614551 /nfs/dbraw/zinc/61/45/51/674614551.db2.gz NEBAQRVAUIAVGP-VHDGCEQUSA-N 2 2 350.467 0.303 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC000960045984 674614557 /nfs/dbraw/zinc/61/45/57/674614557.db2.gz NEBAQRVAUIAVGP-VHDGCEQUSA-N 2 2 350.467 0.303 20 0 FCADLP CC(C)[C@H](C[NH2+]Cc1nc(Br)nn1C)N1CC[NH+](C)CC1 ZINC000894167664 664903505 /nfs/dbraw/zinc/90/35/05/664903505.db2.gz LMGUUOGBEAQKTR-LBPRGKRZSA-N 2 2 359.316 0.939 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038401220 664941844 /nfs/dbraw/zinc/94/18/44/664941844.db2.gz SUEVBIDGZNJRFS-VHDGCEQUSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1noc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984014556 665013228 /nfs/dbraw/zinc/01/32/28/665013228.db2.gz MRPUCCWZZYLDSZ-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1noc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984014556 665013230 /nfs/dbraw/zinc/01/32/30/665013230.db2.gz MRPUCCWZZYLDSZ-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP COC(=O)c1coc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000895686644 665054976 /nfs/dbraw/zinc/05/49/76/665054976.db2.gz UEMHAJXEAHUYFB-MRXNPFEDSA-N 2 2 351.447 0.952 20 0 FCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000896228407 665076679 /nfs/dbraw/zinc/07/66/79/665076679.db2.gz GWZLAPQDKUYWGC-HNNXBMFYSA-N 2 2 351.495 0.371 20 0 FCADLP C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000896228407 665076681 /nfs/dbraw/zinc/07/66/81/665076681.db2.gz GWZLAPQDKUYWGC-HNNXBMFYSA-N 2 2 351.495 0.371 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000896634245 665101675 /nfs/dbraw/zinc/10/16/75/665101675.db2.gz WRIUTHYWODKPJH-BRWVUGGUSA-N 2 2 354.495 0.338 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000896634245 665101676 /nfs/dbraw/zinc/10/16/76/665101676.db2.gz WRIUTHYWODKPJH-BRWVUGGUSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767631 665171776 /nfs/dbraw/zinc/17/17/76/665171776.db2.gz WFSLHYKZOVCNBN-BZUAXINKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767631 665171777 /nfs/dbraw/zinc/17/17/77/665171777.db2.gz WFSLHYKZOVCNBN-BZUAXINKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767631 665171778 /nfs/dbraw/zinc/17/17/78/665171778.db2.gz WFSLHYKZOVCNBN-BZUAXINKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1cnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767631 665171779 /nfs/dbraw/zinc/17/17/79/665171779.db2.gz WFSLHYKZOVCNBN-BZUAXINKSA-N 2 2 350.463 0.982 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905123075 666006077 /nfs/dbraw/zinc/00/60/77/666006077.db2.gz XABVQINLHSCCJB-QZTJIDSGSA-N 2 2 355.523 0.429 20 0 FCADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905123074 666006186 /nfs/dbraw/zinc/00/61/86/666006186.db2.gz XABVQINLHSCCJB-MSOLQXFVSA-N 2 2 355.523 0.429 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000907519129 666141504 /nfs/dbraw/zinc/14/15/04/666141504.db2.gz OVCOYTNOUVGTDE-KNXWPPODSA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000907519129 666141505 /nfs/dbraw/zinc/14/15/05/666141505.db2.gz OVCOYTNOUVGTDE-KNXWPPODSA-N 2 2 353.507 0.791 20 0 FCADLP CC[NH+]1CCC(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069430929 666511992 /nfs/dbraw/zinc/51/19/92/666511992.db2.gz SLPLWBHEOUAHBP-UHFFFAOYSA-N 2 2 374.551 0.527 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000055354393 666540457 /nfs/dbraw/zinc/54/04/57/666540457.db2.gz XDYNQMVVPFBGET-UHFFFAOYSA-N 2 2 362.507 0.312 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000324989012 666750010 /nfs/dbraw/zinc/75/00/10/666750010.db2.gz UVQRPDDZKBYZDD-CYBMUJFWSA-N 2 2 373.906 0.901 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000324989012 666750013 /nfs/dbraw/zinc/75/00/13/666750013.db2.gz UVQRPDDZKBYZDD-CYBMUJFWSA-N 2 2 373.906 0.901 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418014 666795629 /nfs/dbraw/zinc/79/56/29/666795629.db2.gz HOZKTRVSVWPAIC-KGLIPLIRSA-N 2 2 355.483 0.541 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418014 666795633 /nfs/dbraw/zinc/79/56/33/666795633.db2.gz HOZKTRVSVWPAIC-KGLIPLIRSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418014 666795637 /nfs/dbraw/zinc/79/56/37/666795637.db2.gz HOZKTRVSVWPAIC-KGLIPLIRSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418014 666795640 /nfs/dbraw/zinc/79/56/40/666795640.db2.gz HOZKTRVSVWPAIC-KGLIPLIRSA-N 2 2 355.483 0.541 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)OCC(F)(F)F ZINC000732307704 666865579 /nfs/dbraw/zinc/86/55/79/666865579.db2.gz KTBOMCPGYSNWNF-UHFFFAOYSA-N 2 2 368.400 0.759 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)OCC(F)(F)F ZINC000732307704 666865583 /nfs/dbraw/zinc/86/55/83/666865583.db2.gz KTBOMCPGYSNWNF-UHFFFAOYSA-N 2 2 368.400 0.759 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)O1 ZINC000995957652 666897027 /nfs/dbraw/zinc/89/70/27/666897027.db2.gz KPQQCZPITKTSKS-MRVWCRGKSA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)O1 ZINC000995957652 666897030 /nfs/dbraw/zinc/89/70/30/666897030.db2.gz KPQQCZPITKTSKS-MRVWCRGKSA-N 2 2 353.492 0.584 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)o1 ZINC000995956993 666897128 /nfs/dbraw/zinc/89/71/28/666897128.db2.gz IXGZDPHDNJZKIV-MRVWCRGKSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)o1 ZINC000995956993 666897132 /nfs/dbraw/zinc/89/71/32/666897132.db2.gz IXGZDPHDNJZKIV-MRVWCRGKSA-N 2 2 351.451 0.424 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000734272241 666958495 /nfs/dbraw/zinc/95/84/95/666958495.db2.gz PEEGJCKOBSBDAR-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000734272241 666958497 /nfs/dbraw/zinc/95/84/97/666958497.db2.gz PEEGJCKOBSBDAR-NVXWUHKLSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1)c1csnn1 ZINC000996716374 666967427 /nfs/dbraw/zinc/96/74/27/666967427.db2.gz JMQCQAPJLSBLLG-TYNCELHUSA-N 2 2 353.492 0.899 20 0 FCADLP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1)c1csnn1 ZINC000996716374 666967429 /nfs/dbraw/zinc/96/74/29/666967429.db2.gz JMQCQAPJLSBLLG-TYNCELHUSA-N 2 2 353.492 0.899 20 0 FCADLP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)no1 ZINC000996721637 666968276 /nfs/dbraw/zinc/96/82/76/666968276.db2.gz ZDUVATSFVVMTPV-TYNCELHUSA-N 2 2 351.451 0.739 20 0 FCADLP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)no1 ZINC000996721637 666968281 /nfs/dbraw/zinc/96/82/81/666968281.db2.gz ZDUVATSFVVMTPV-TYNCELHUSA-N 2 2 351.451 0.739 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000916618634 667010210 /nfs/dbraw/zinc/01/02/10/667010210.db2.gz AZCSITLOBBJGTH-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000916618634 667010212 /nfs/dbraw/zinc/01/02/12/667010212.db2.gz AZCSITLOBBJGTH-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000916618634 667010215 /nfs/dbraw/zinc/01/02/15/667010215.db2.gz AZCSITLOBBJGTH-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000916618634 667010217 /nfs/dbraw/zinc/01/02/17/667010217.db2.gz AZCSITLOBBJGTH-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CCCO)CN1CC[NH+]1CCOCC1 ZINC000925445703 667093719 /nfs/dbraw/zinc/09/37/19/667093719.db2.gz FJFFNNINPYVXPU-FGTMMUONSA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000918906298 667140220 /nfs/dbraw/zinc/14/02/20/667140220.db2.gz MLNOSDXFQSEQEO-CABCVRRESA-N 2 2 352.479 0.559 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](C4OCCO4)C3)C2)CC1 ZINC000918906298 667140222 /nfs/dbraw/zinc/14/02/22/667140222.db2.gz MLNOSDXFQSEQEO-CABCVRRESA-N 2 2 352.479 0.559 20 0 FCADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000998048313 667194218 /nfs/dbraw/zinc/19/42/18/667194218.db2.gz VVWSJRMGLZUVQV-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000998048313 667194222 /nfs/dbraw/zinc/19/42/22/667194222.db2.gz VVWSJRMGLZUVQV-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000998048313 667194225 /nfs/dbraw/zinc/19/42/25/667194225.db2.gz VVWSJRMGLZUVQV-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000998048313 667194229 /nfs/dbraw/zinc/19/42/29/667194229.db2.gz VVWSJRMGLZUVQV-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000919990157 667215713 /nfs/dbraw/zinc/21/57/13/667215713.db2.gz MVXLZHLHKCCELC-RHSMWYFYSA-N 2 2 354.520 0.661 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000919990157 667215714 /nfs/dbraw/zinc/21/57/14/667215714.db2.gz MVXLZHLHKCCELC-RHSMWYFYSA-N 2 2 354.520 0.661 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000999498646 667241122 /nfs/dbraw/zinc/24/11/22/667241122.db2.gz XJDZXHOGDLAALR-XJKCOSOUSA-N 2 2 369.897 0.873 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)O1 ZINC000999498646 667241125 /nfs/dbraw/zinc/24/11/25/667241125.db2.gz XJDZXHOGDLAALR-XJKCOSOUSA-N 2 2 369.897 0.873 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999492388 667241456 /nfs/dbraw/zinc/24/14/56/667241456.db2.gz ASZMZJVRRJEDQF-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999492388 667241459 /nfs/dbraw/zinc/24/14/59/667241459.db2.gz ASZMZJVRRJEDQF-IIAWOOMASA-N 2 2 350.467 0.098 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999769729 667248129 /nfs/dbraw/zinc/24/81/29/667248129.db2.gz GDOXIWZPQNNLIL-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP CCN1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000888403478 667512471 /nfs/dbraw/zinc/51/24/71/667512471.db2.gz LPNKQSDZIGIJLO-UHFFFAOYSA-N 2 2 351.495 0.768 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033288481 667726506 /nfs/dbraw/zinc/72/65/06/667726506.db2.gz BWBWILDSOLIQRC-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033288481 667726508 /nfs/dbraw/zinc/72/65/08/667726508.db2.gz BWBWILDSOLIQRC-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP Cc1nnsc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005580522 667763398 /nfs/dbraw/zinc/76/33/98/667763398.db2.gz HVZNAOXXVXYEBL-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP Cc1nnsc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005580522 667763401 /nfs/dbraw/zinc/76/34/01/667763401.db2.gz HVZNAOXXVXYEBL-IUODEOHRSA-N 2 2 367.519 0.988 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000923412984 667833337 /nfs/dbraw/zinc/83/33/37/667833337.db2.gz MQUYMJNGBPGXDW-QGZVFWFLSA-N 2 2 351.447 0.431 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518353 667843115 /nfs/dbraw/zinc/84/31/15/667843115.db2.gz FFOVTYMGLVBSLF-LSDHHAIUSA-N 2 2 364.515 0.754 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518353 667843116 /nfs/dbraw/zinc/84/31/16/667843116.db2.gz FFOVTYMGLVBSLF-LSDHHAIUSA-N 2 2 364.515 0.754 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000760664027 667858976 /nfs/dbraw/zinc/85/89/76/667858976.db2.gz QVIOFZMOHYWZBY-UHFFFAOYSA-N 2 2 354.495 0.997 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H]([C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304921 667886351 /nfs/dbraw/zinc/88/63/51/667886351.db2.gz SAURFENQHUFEAH-KBMXLJTQSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H]([C@@H]4CCCOC4)C3=O)C2)CC1 ZINC000761304921 667886354 /nfs/dbraw/zinc/88/63/54/667886354.db2.gz SAURFENQHUFEAH-KBMXLJTQSA-N 2 2 350.463 0.502 20 0 FCADLP CCCN1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@H]1COC ZINC000761306309 667886428 /nfs/dbraw/zinc/88/64/28/667886428.db2.gz VGKXMEAJIAQDPI-JKSUJKDBSA-N 2 2 352.479 0.844 20 0 FCADLP CCCN1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@H]1COC ZINC000761306309 667886431 /nfs/dbraw/zinc/88/64/31/667886431.db2.gz VGKXMEAJIAQDPI-JKSUJKDBSA-N 2 2 352.479 0.844 20 0 FCADLP CC(C)CN1C(=O)C(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000738206775 667908196 /nfs/dbraw/zinc/90/81/96/667908196.db2.gz BJJPGNYKCRWUBU-UHFFFAOYSA-N 2 2 354.451 0.433 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927310 668237690 /nfs/dbraw/zinc/23/76/90/668237690.db2.gz KTQQTJQYIFHACD-HNNXBMFYSA-N 2 2 354.495 0.996 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927310 668237696 /nfs/dbraw/zinc/23/76/96/668237696.db2.gz KTQQTJQYIFHACD-HNNXBMFYSA-N 2 2 354.495 0.996 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927312 668237898 /nfs/dbraw/zinc/23/78/98/668237898.db2.gz KTQQTJQYIFHACD-OAHLLOKOSA-N 2 2 354.495 0.996 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927312 668237903 /nfs/dbraw/zinc/23/79/03/668237903.db2.gz KTQQTJQYIFHACD-OAHLLOKOSA-N 2 2 354.495 0.996 20 0 FCADLP CCCCCC[N@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000772205806 668293987 /nfs/dbraw/zinc/29/39/87/668293987.db2.gz ZOEJSKHNWFUFNH-UHFFFAOYSA-N 2 2 354.539 0.975 20 0 FCADLP CCCCCC[N@@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000772205806 668293991 /nfs/dbraw/zinc/29/39/91/668293991.db2.gz ZOEJSKHNWFUFNH-UHFFFAOYSA-N 2 2 354.539 0.975 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217856 668294248 /nfs/dbraw/zinc/29/42/48/668294248.db2.gz FHXKUQAPSUOLHQ-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000772217856 668294253 /nfs/dbraw/zinc/29/42/53/668294253.db2.gz FHXKUQAPSUOLHQ-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982315 668402465 /nfs/dbraw/zinc/40/24/65/668402465.db2.gz KLVFPSCGNHJMPO-HUUCEWRRSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000778982315 668402466 /nfs/dbraw/zinc/40/24/66/668402466.db2.gz KLVFPSCGNHJMPO-HUUCEWRRSA-N 2 2 354.495 0.996 20 0 FCADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000779035300 668404217 /nfs/dbraw/zinc/40/42/17/668404217.db2.gz DSXICSDBHUAQQB-CABCVRRESA-N 2 2 354.495 0.996 20 0 FCADLP CC(=O)NCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365407 668875361 /nfs/dbraw/zinc/87/53/61/668875361.db2.gz CIWSCGWIOZZFJU-GOSISDBHSA-N 2 2 350.463 0.709 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CCCCC1 ZINC000793699183 668942314 /nfs/dbraw/zinc/94/23/14/668942314.db2.gz KDVVEXQGEMDPBZ-ZDUSSCGKSA-N 2 2 350.467 0.093 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000819078803 668976916 /nfs/dbraw/zinc/97/69/16/668976916.db2.gz ZYMUTCIHVXHVFE-PBHICJAKSA-N 2 2 355.429 0.994 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000819078806 668976983 /nfs/dbraw/zinc/97/69/83/668976983.db2.gz ZYMUTCIHVXHVFE-YOEHRIQHSA-N 2 2 355.429 0.994 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000819078805 668977050 /nfs/dbraw/zinc/97/70/50/668977050.db2.gz ZYMUTCIHVXHVFE-WMLDXEAASA-N 2 2 355.429 0.994 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000826721455 669512107 /nfs/dbraw/zinc/51/21/07/669512107.db2.gz XOEBNNGUMFRMTO-BRWVUGGUSA-N 2 2 352.479 0.090 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000826721455 669512111 /nfs/dbraw/zinc/51/21/11/669512111.db2.gz XOEBNNGUMFRMTO-BRWVUGGUSA-N 2 2 352.479 0.090 20 0 FCADLP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@]2(C)C1 ZINC000827597981 669582682 /nfs/dbraw/zinc/58/26/82/669582682.db2.gz IDWNDSOEDFBNOL-JFRXWTBNSA-N 2 2 351.491 0.666 20 0 FCADLP C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@]2(C)C1 ZINC000827597981 669582688 /nfs/dbraw/zinc/58/26/88/669582688.db2.gz IDWNDSOEDFBNOL-JFRXWTBNSA-N 2 2 351.491 0.666 20 0 FCADLP CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831165917 669833088 /nfs/dbraw/zinc/83/30/88/669833088.db2.gz RTGOAZRGLLNBTB-GVDBMIGSSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831165917 669833090 /nfs/dbraw/zinc/83/30/90/669833090.db2.gz RTGOAZRGLLNBTB-GVDBMIGSSA-N 2 2 350.507 0.918 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)c1 ZINC000831389281 669843700 /nfs/dbraw/zinc/84/37/00/669843700.db2.gz LAHDULANUJDYTB-SFHVURJKSA-N 2 2 351.422 0.920 20 0 FCADLP C[C@@]([NH3+])(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000844184233 670906541 /nfs/dbraw/zinc/90/65/41/670906541.db2.gz FSVUNASHSJHNRY-KRWDZBQOSA-N 2 2 353.488 0.486 20 0 FCADLP Cn1c[nH+]cc1CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845933546 671053322 /nfs/dbraw/zinc/05/33/22/671053322.db2.gz IHIJEPYGXVLBCQ-AWEZNQCLSA-N 2 2 353.467 0.924 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000857535874 671730782 /nfs/dbraw/zinc/73/07/82/671730782.db2.gz RYCYKKANNKULNR-UHFFFAOYSA-N 2 2 350.463 0.969 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859074154 671792039 /nfs/dbraw/zinc/79/20/39/671792039.db2.gz YSCYSFGCPFGJEA-UHFFFAOYSA-N 2 2 354.495 0.949 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000862643471 672060555 /nfs/dbraw/zinc/06/05/55/672060555.db2.gz ULEAWHPQKYTSRU-IBGZPJMESA-N 2 2 351.491 0.593 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000862643471 672060562 /nfs/dbraw/zinc/06/05/62/672060562.db2.gz ULEAWHPQKYTSRU-IBGZPJMESA-N 2 2 351.491 0.593 20 0 FCADLP C[C@@H]([NH3+])C[N@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000863566299 672139557 /nfs/dbraw/zinc/13/95/57/672139557.db2.gz GYCLFDVSYQSYRP-CQSZACIVSA-N 2 2 357.476 0.365 20 0 FCADLP C[C@@H]([NH3+])C[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000863566299 672139558 /nfs/dbraw/zinc/13/95/58/672139558.db2.gz GYCLFDVSYQSYRP-CQSZACIVSA-N 2 2 357.476 0.365 20 0 FCADLP Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681752 675986600 /nfs/dbraw/zinc/98/66/00/675986600.db2.gz ZYCBLGSPCWNYGQ-IIAWOOMASA-N 2 2 352.435 0.019 20 0 FCADLP Cc1conc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001051681752 675986602 /nfs/dbraw/zinc/98/66/02/675986602.db2.gz ZYCBLGSPCWNYGQ-IIAWOOMASA-N 2 2 352.435 0.019 20 0 FCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CCO2 ZINC001053259922 675992698 /nfs/dbraw/zinc/99/26/98/675992698.db2.gz SHHDGWRYACZTPE-SJORKVTESA-N 2 2 351.491 0.666 20 0 FCADLP CC(C)[C@H](C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1)N1CC[NH+](C)CC1 ZINC000865410830 672242312 /nfs/dbraw/zinc/24/23/12/672242312.db2.gz JXKNGGZMHJXIDF-MSOLQXFVSA-N 2 2 350.511 0.819 20 0 FCADLP CCNS(=O)(=O)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865455212 672243163 /nfs/dbraw/zinc/24/31/63/672243163.db2.gz AXSHWIZICHXGBT-UHFFFAOYSA-N 2 2 371.503 0.427 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCOC4CCC4)C3)C2)CC[N@@H+]1C ZINC001053806496 675998236 /nfs/dbraw/zinc/99/82/36/675998236.db2.gz JMQHCJQBXTWLKY-BFYDXBDKSA-N 2 2 351.491 0.855 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCOC4CCC4)C3)C2)CC[N@H+]1C ZINC001053806496 675998238 /nfs/dbraw/zinc/99/82/38/675998238.db2.gz JMQHCJQBXTWLKY-BFYDXBDKSA-N 2 2 351.491 0.855 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000868232710 672390098 /nfs/dbraw/zinc/39/00/98/672390098.db2.gz RZRYPUHQLHDAGG-GDBMZVCRSA-N 2 2 372.535 0.231 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000868232710 672390100 /nfs/dbraw/zinc/39/01/00/672390100.db2.gz RZRYPUHQLHDAGG-GDBMZVCRSA-N 2 2 372.535 0.231 20 0 FCADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC(=O)OC)cc2F)CC1 ZINC000871012384 672526246 /nfs/dbraw/zinc/52/62/46/672526246.db2.gz RNHHWDKHOFTWBY-AWEZNQCLSA-N 2 2 352.410 0.797 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000872145540 672594037 /nfs/dbraw/zinc/59/40/37/672594037.db2.gz SYHGTOVWLHQTCK-INIZCTEOSA-N 2 2 352.479 0.215 20 0 FCADLP NS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000877056606 672996633 /nfs/dbraw/zinc/99/66/33/672996633.db2.gz YUTKPAOKRQKRFS-OAHLLOKOSA-N 2 2 353.488 0.925 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878198062 673046568 /nfs/dbraw/zinc/04/65/68/673046568.db2.gz KIYGLPBYOKIVDC-IRXDYDNUSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878198062 673046572 /nfs/dbraw/zinc/04/65/72/673046572.db2.gz KIYGLPBYOKIVDC-IRXDYDNUSA-N 2 2 351.491 0.953 20 0 FCADLP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254358 673183656 /nfs/dbraw/zinc/18/36/56/673183656.db2.gz UHUDEGXQEGRPMP-CVEARBPZSA-N 2 2 357.495 0.205 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)CC2)CC1 ZINC000883248878 673369741 /nfs/dbraw/zinc/36/97/41/673369741.db2.gz JWXWKCSVEHUVKL-KOMQPUFPSA-N 2 2 372.535 0.420 20 0 FCADLP COC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOC1 ZINC000883371530 673372255 /nfs/dbraw/zinc/37/22/55/673372255.db2.gz OBRXIYFXVHLXHD-QYZOEREBSA-N 2 2 355.523 0.814 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000883645819 673388213 /nfs/dbraw/zinc/38/82/13/673388213.db2.gz XJLWIYCPBFUBFT-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000884189794 673435045 /nfs/dbraw/zinc/43/50/45/673435045.db2.gz NBLYDOUVHVIYIN-HOTGVXAUSA-N 2 2 353.488 0.702 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000884278563 673443107 /nfs/dbraw/zinc/44/31/07/673443107.db2.gz NNENPFKFNHTNSV-KBPBESRZSA-N 2 2 359.879 0.575 20 0 FCADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884435887 673453349 /nfs/dbraw/zinc/45/33/49/673453349.db2.gz NOVFBDZRLQXJHI-HLLBOEOZSA-N 2 2 365.499 0.891 20 0 FCADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884435887 673453350 /nfs/dbraw/zinc/45/33/50/673453350.db2.gz NOVFBDZRLQXJHI-HLLBOEOZSA-N 2 2 365.499 0.891 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688678 673473227 /nfs/dbraw/zinc/47/32/27/673473227.db2.gz LKMDTTXDPRFRRM-AWEZNQCLSA-N 2 2 363.487 0.119 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000884705545 673475035 /nfs/dbraw/zinc/47/50/35/673475035.db2.gz YAYORQCYMVSQGG-XJKSGUPXSA-N 2 2 350.438 0.884 20 0 FCADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884976781 673495254 /nfs/dbraw/zinc/49/52/54/673495254.db2.gz AJHSGIUKFSBNJY-LBPRGKRZSA-N 2 2 351.476 0.057 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000885285332 673512335 /nfs/dbraw/zinc/51/23/35/673512335.db2.gz JPXGTKLIBSEHNT-NEPJUHHUSA-N 2 2 355.389 0.477 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cncc(Cl)c3)C2)CC1 ZINC000890161526 673708785 /nfs/dbraw/zinc/70/87/85/673708785.db2.gz AIOBXLMLAODTLF-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cncc(Cl)c3)C2)CC1 ZINC000890161526 673708789 /nfs/dbraw/zinc/70/87/89/673708789.db2.gz AIOBXLMLAODTLF-ZDUSSCGKSA-N 2 2 365.865 0.958 20 0 FCADLP CC[C@H]1COC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924725172 673761767 /nfs/dbraw/zinc/76/17/67/673761767.db2.gz ZYNPJLNMPYTSMY-HOTGVXAUSA-N 2 2 368.503 0.548 20 0 FCADLP C[C@H]1COC[C@@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924723011 673761788 /nfs/dbraw/zinc/76/17/88/673761788.db2.gz JHXLRCYQPNKVES-GJZGRUSLSA-N 2 2 354.476 0.158 20 0 FCADLP CCN1CCC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000925967284 673806903 /nfs/dbraw/zinc/80/69/03/673806903.db2.gz ZAKVACULHPZCNP-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP CCN1CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000925967284 673806904 /nfs/dbraw/zinc/80/69/04/673806904.db2.gz ZAKVACULHPZCNP-INIZCTEOSA-N 2 2 353.511 0.665 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000927632507 673871512 /nfs/dbraw/zinc/87/15/12/673871512.db2.gz FWUOKYVIVWZGPE-SJORKVTESA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000927632507 673871513 /nfs/dbraw/zinc/87/15/13/673871513.db2.gz FWUOKYVIVWZGPE-SJORKVTESA-N 2 2 352.479 0.356 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927637921 673873636 /nfs/dbraw/zinc/87/36/36/673873636.db2.gz IXRZJMNVYTXSHI-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927637921 673873637 /nfs/dbraw/zinc/87/36/37/673873637.db2.gz IXRZJMNVYTXSHI-WBVHZDCISA-N 2 2 354.495 0.602 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000930008600 673992245 /nfs/dbraw/zinc/99/22/45/673992245.db2.gz FSKPODYXDZVKPP-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000930008600 673992248 /nfs/dbraw/zinc/99/22/48/673992248.db2.gz FSKPODYXDZVKPP-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000930008600 673992249 /nfs/dbraw/zinc/99/22/49/673992249.db2.gz FSKPODYXDZVKPP-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000930008600 673992253 /nfs/dbraw/zinc/99/22/53/673992253.db2.gz FSKPODYXDZVKPP-CVEARBPZSA-N 2 2 354.495 0.012 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000968725657 675226807 /nfs/dbraw/zinc/22/68/07/675226807.db2.gz ZGKUXDKJTZMFOH-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000968725657 675226810 /nfs/dbraw/zinc/22/68/10/675226810.db2.gz ZGKUXDKJTZMFOH-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014920348 675392936 /nfs/dbraw/zinc/39/29/36/675392936.db2.gz NCKCCVWVVIVMDW-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014920348 675392939 /nfs/dbraw/zinc/39/29/39/675392939.db2.gz NCKCCVWVVIVMDW-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014920348 675392943 /nfs/dbraw/zinc/39/29/43/675392943.db2.gz NCKCCVWVVIVMDW-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014920348 675392946 /nfs/dbraw/zinc/39/29/46/675392946.db2.gz NCKCCVWVVIVMDW-RBSFLKMASA-N 2 2 368.503 0.128 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900653516 675703947 /nfs/dbraw/zinc/70/39/47/675703947.db2.gz XODSYXFKAHXRBU-INIZCTEOSA-N 2 2 355.479 0.442 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900653516 675703950 /nfs/dbraw/zinc/70/39/50/675703950.db2.gz XODSYXFKAHXRBU-INIZCTEOSA-N 2 2 355.479 0.442 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000800821225 675704804 /nfs/dbraw/zinc/70/48/04/675704804.db2.gz KOEGVYRAAOADAD-QGZVFWFLSA-N 2 2 370.563 0.627 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000900802746 675717663 /nfs/dbraw/zinc/71/76/63/675717663.db2.gz GJIZVOYEUWIICL-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000900802746 675717664 /nfs/dbraw/zinc/71/76/64/675717664.db2.gz GJIZVOYEUWIICL-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000900802746 675717665 /nfs/dbraw/zinc/71/76/65/675717665.db2.gz GJIZVOYEUWIICL-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000900802746 675717666 /nfs/dbraw/zinc/71/76/66/675717666.db2.gz GJIZVOYEUWIICL-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(F)(F)F ZINC000901085463 675752221 /nfs/dbraw/zinc/75/22/21/675752221.db2.gz KJRRJOSBBFGTES-SRVKXCTJSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000901085463 675752222 /nfs/dbraw/zinc/75/22/22/675752222.db2.gz KJRRJOSBBFGTES-SRVKXCTJSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(F)(F)F ZINC000901085463 675752224 /nfs/dbraw/zinc/75/22/24/675752224.db2.gz KJRRJOSBBFGTES-SRVKXCTJSA-N 2 2 350.385 0.338 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(F)(F)F ZINC000901085463 675752225 /nfs/dbraw/zinc/75/22/25/675752225.db2.gz KJRRJOSBBFGTES-SRVKXCTJSA-N 2 2 350.385 0.338 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901200753 675769480 /nfs/dbraw/zinc/76/94/80/675769480.db2.gz JCMXWTRILOUGDR-YLFCFFPRSA-N 2 2 350.507 0.903 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901200753 675769482 /nfs/dbraw/zinc/76/94/82/675769482.db2.gz JCMXWTRILOUGDR-YLFCFFPRSA-N 2 2 350.507 0.903 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385977 675796336 /nfs/dbraw/zinc/79/63/36/675796336.db2.gz GUWDFPZDXGKMOS-IRWJRLHMSA-N 2 2 350.463 0.581 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001047385977 675796338 /nfs/dbraw/zinc/79/63/38/675796338.db2.gz GUWDFPZDXGKMOS-IRWJRLHMSA-N 2 2 350.463 0.581 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047385977 675796340 /nfs/dbraw/zinc/79/63/40/675796340.db2.gz GUWDFPZDXGKMOS-IRWJRLHMSA-N 2 2 350.463 0.581 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001047385977 675796342 /nfs/dbraw/zinc/79/63/42/675796342.db2.gz GUWDFPZDXGKMOS-IRWJRLHMSA-N 2 2 350.463 0.581 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CCn1cncn1 ZINC001088582445 1192198122 /nfs/dbraw/zinc/19/81/22/1192198122.db2.gz PVSXXYQTCMRRDF-ZBFHGGJFSA-N 2 2 357.462 0.633 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1CCn1cncn1 ZINC001088582445 1192198134 /nfs/dbraw/zinc/19/81/34/1192198134.db2.gz PVSXXYQTCMRRDF-ZBFHGGJFSA-N 2 2 357.462 0.633 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001020421188 1167812649 /nfs/dbraw/zinc/81/26/49/1167812649.db2.gz FPIQYBMBEZPXES-ZKXLYKBJSA-N 2 2 367.490 0.140 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C1CC1 ZINC001020603981 1168149492 /nfs/dbraw/zinc/14/94/92/1168149492.db2.gz QYSHTFFFLLDAEK-URFZWBKFSA-N 2 2 370.461 0.843 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000970012979 1168278901 /nfs/dbraw/zinc/27/89/01/1168278901.db2.gz LQMVUBZLVBHRLG-BPLDGKMQSA-N 2 2 356.430 0.713 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083197750 1168448450 /nfs/dbraw/zinc/44/84/50/1168448450.db2.gz IDSGGXPDXXQJEY-XYVMCAHJSA-N 2 2 370.457 0.332 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083197750 1168448457 /nfs/dbraw/zinc/44/84/57/1168448457.db2.gz IDSGGXPDXXQJEY-XYVMCAHJSA-N 2 2 370.457 0.332 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605249 1192307519 /nfs/dbraw/zinc/30/75/19/1192307519.db2.gz MSKZXBHMLOGCJD-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605249 1192307525 /nfs/dbraw/zinc/30/75/25/1192307525.db2.gz MSKZXBHMLOGCJD-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605249 1192307530 /nfs/dbraw/zinc/30/75/30/1192307530.db2.gz MSKZXBHMLOGCJD-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088605249 1192307534 /nfs/dbraw/zinc/30/75/34/1192307534.db2.gz MSKZXBHMLOGCJD-IKGGRYGDSA-N 2 2 366.506 0.299 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001167270858 1168482151 /nfs/dbraw/zinc/48/21/51/1168482151.db2.gz BWUOXDMVBYAHJD-HUUCEWRRSA-N 2 2 359.474 0.632 20 0 FCADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001021332454 1169065636 /nfs/dbraw/zinc/06/56/36/1169065636.db2.gz KNRKZKPYKBRIKE-FVAVCCDCSA-N 2 2 369.481 0.947 20 0 FCADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001021332454 1169065644 /nfs/dbraw/zinc/06/56/44/1169065644.db2.gz KNRKZKPYKBRIKE-FVAVCCDCSA-N 2 2 369.481 0.947 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)C1CCC1 ZINC001021489313 1169468190 /nfs/dbraw/zinc/46/81/90/1169468190.db2.gz TUYKKXLOGOHEOR-GOEBONIOSA-N 2 2 359.474 0.886 20 0 FCADLP CCn1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001087141421 1170009778 /nfs/dbraw/zinc/00/97/78/1170009778.db2.gz LQEOUASDDBLIMQ-BPQIPLTHSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001087141421 1170009783 /nfs/dbraw/zinc/00/97/83/1170009783.db2.gz LQEOUASDDBLIMQ-BPQIPLTHSA-N 2 2 363.506 0.950 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC[N@@H+]1C ZINC001021809629 1170085487 /nfs/dbraw/zinc/08/54/87/1170085487.db2.gz YZAZCZGJOCPOFP-QMCVQRASSA-N 2 2 359.474 0.742 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC[N@H+]1C ZINC001021809629 1170085496 /nfs/dbraw/zinc/08/54/96/1170085496.db2.gz YZAZCZGJOCPOFP-QMCVQRASSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1)[NH+](C)C ZINC001021935363 1170321490 /nfs/dbraw/zinc/32/14/90/1170321490.db2.gz SJDFETVDDTVZJM-LESCRADOSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1)[NH+](C)C ZINC001021935363 1170321500 /nfs/dbraw/zinc/32/15/00/1170321500.db2.gz SJDFETVDDTVZJM-LESCRADOSA-N 2 2 361.490 0.988 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001021993196 1170362839 /nfs/dbraw/zinc/36/28/39/1170362839.db2.gz XWPZLPCJFBXZCE-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001022035550 1170447075 /nfs/dbraw/zinc/44/70/75/1170447075.db2.gz RKDGUFAIPVVMON-DOTOQJQBSA-N 2 2 359.474 0.662 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)CC1 ZINC001022035747 1170449970 /nfs/dbraw/zinc/44/99/70/1170449970.db2.gz VQOAXLTVUAGGIZ-BVIKNXMNSA-N 2 2 371.485 0.914 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001022035747 1170449976 /nfs/dbraw/zinc/44/99/76/1170449976.db2.gz VQOAXLTVUAGGIZ-BVIKNXMNSA-N 2 2 371.485 0.914 20 0 FCADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1)C(N)=O ZINC001022095309 1170618267 /nfs/dbraw/zinc/61/82/67/1170618267.db2.gz OIBXGKLQECJLIM-LJIZCISZSA-N 2 2 359.474 0.655 20 0 FCADLP CCc1nc(NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001111585980 1170643293 /nfs/dbraw/zinc/64/32/93/1170643293.db2.gz ZCVKHXMXGTZWOG-HUUCEWRRSA-N 2 2 365.478 0.299 20 0 FCADLP CCc1nc(NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc(C)[nH+]1 ZINC001111585980 1170643296 /nfs/dbraw/zinc/64/32/96/1170643296.db2.gz ZCVKHXMXGTZWOG-HUUCEWRRSA-N 2 2 365.478 0.299 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104367196 1170650758 /nfs/dbraw/zinc/65/07/58/1170650758.db2.gz KKRIMHKYPGIHQV-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104367475 1170660480 /nfs/dbraw/zinc/66/04/80/1170660480.db2.gz VPSVGZNFTIAQLP-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001022195569 1170721466 /nfs/dbraw/zinc/72/14/66/1170721466.db2.gz KVULYVBKNOBZFM-FRQCXROJSA-N 2 2 371.485 0.886 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022211779 1170755335 /nfs/dbraw/zinc/75/53/35/1170755335.db2.gz VSDZXEGYYLWRHH-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022211779 1170755340 /nfs/dbraw/zinc/75/53/40/1170755340.db2.gz VSDZXEGYYLWRHH-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001022213311 1170760950 /nfs/dbraw/zinc/76/09/50/1170760950.db2.gz AYWYOHLJAPVJNK-GOEBONIOSA-N 2 2 356.430 0.227 20 0 FCADLP COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780523 1170822449 /nfs/dbraw/zinc/82/24/49/1170822449.db2.gz DDEIKZDRVUBMDL-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780523 1170822450 /nfs/dbraw/zinc/82/24/50/1170822450.db2.gz DDEIKZDRVUBMDL-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780523 1170822452 /nfs/dbraw/zinc/82/24/52/1170822452.db2.gz DDEIKZDRVUBMDL-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC000971780523 1170822455 /nfs/dbraw/zinc/82/24/55/1170822455.db2.gz DDEIKZDRVUBMDL-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781656 1170823579 /nfs/dbraw/zinc/82/35/79/1170823579.db2.gz LPHRTOVSCYTHHR-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781656 1170823580 /nfs/dbraw/zinc/82/35/80/1170823580.db2.gz LPHRTOVSCYTHHR-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781656 1170823583 /nfs/dbraw/zinc/82/35/83/1170823583.db2.gz LPHRTOVSCYTHHR-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ncccc1C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781656 1170823586 /nfs/dbraw/zinc/82/35/86/1170823586.db2.gz LPHRTOVSCYTHHR-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691114247 1170826984 /nfs/dbraw/zinc/82/69/84/1170826984.db2.gz CDCBKEXRCZQASH-IBEHDNSVSA-N 2 2 361.490 0.923 20 0 FCADLP CCOC1CC(CNC(=O)N2C3CCC2(C[NH3+])CC3)([NH+]2CCOCC2)C1 ZINC000891857574 1171000070 /nfs/dbraw/zinc/00/00/70/1171000070.db2.gz FDWHRIXQGVPYTJ-UHFFFAOYSA-N 2 2 366.506 0.922 20 0 FCADLP Cc1nonc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001087181518 1171036780 /nfs/dbraw/zinc/03/67/80/1171036780.db2.gz VYDQVRRLKXMFJZ-LNCBFAARSA-N 2 2 365.478 0.814 20 0 FCADLP Cc1nonc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001087181518 1171036790 /nfs/dbraw/zinc/03/67/90/1171036790.db2.gz VYDQVRRLKXMFJZ-LNCBFAARSA-N 2 2 365.478 0.814 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087183262 1171066587 /nfs/dbraw/zinc/06/65/87/1171066587.db2.gz KZEICFAXOQASCX-INMHGKMJSA-N 2 2 371.489 0.991 20 0 FCADLP CCO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](CC)C(N)=O ZINC001691333920 1171127526 /nfs/dbraw/zinc/12/75/26/1171127526.db2.gz SYPUTNSQAJLGMC-MGPQQGTHSA-N 2 2 365.478 0.404 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)c1nnnn1C ZINC001087190649 1171338749 /nfs/dbraw/zinc/33/87/49/1171338749.db2.gz XDBZVVBQMRKBKF-YUELXQCFSA-N 2 2 360.466 0.693 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022524610 1171364778 /nfs/dbraw/zinc/36/47/78/1171364778.db2.gz YXALDTLKPUHCGH-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022524610 1171364787 /nfs/dbraw/zinc/36/47/87/1171364787.db2.gz YXALDTLKPUHCGH-HRCADAONSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001022644413 1171637561 /nfs/dbraw/zinc/63/75/61/1171637561.db2.gz ACLNYXSMOJQJRQ-ZMSDIMECSA-N 2 2 371.485 0.985 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000892184694 1171700010 /nfs/dbraw/zinc/70/00/10/1171700010.db2.gz VXRVANNXIAQIMJ-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[NH2+]CCO3)C2)c1 ZINC000892184694 1171700015 /nfs/dbraw/zinc/70/00/15/1171700015.db2.gz VXRVANNXIAQIMJ-MSOLQXFVSA-N 2 2 362.474 0.483 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC1 ZINC000972144583 1171800189 /nfs/dbraw/zinc/80/01/89/1171800189.db2.gz NLVLHFVEZZTUEN-IAGOWNOFSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892253583 1171801544 /nfs/dbraw/zinc/80/15/44/1171801544.db2.gz CODSXWPVCVMNCM-UHFFFAOYSA-N 2 2 358.446 0.832 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)C1 ZINC001022719980 1171811455 /nfs/dbraw/zinc/81/14/55/1171811455.db2.gz DIZUMIMGLGQJAL-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)C1 ZINC001022719980 1171811458 /nfs/dbraw/zinc/81/14/58/1171811458.db2.gz DIZUMIMGLGQJAL-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001022734017 1171835514 /nfs/dbraw/zinc/83/55/14/1171835514.db2.gz HHEPAQBWNGXIEK-QKPAOTATSA-N 2 2 357.462 0.669 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104420483 1171911237 /nfs/dbraw/zinc/91/12/37/1171911237.db2.gz RNYFZJIXXHNSTL-ZIAGYGMSSA-N 2 2 368.445 0.746 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001087226233 1172076944 /nfs/dbraw/zinc/07/69/44/1172076944.db2.gz KAFFSAGSOOWQQV-AEFFLSMTSA-N 2 2 363.506 0.859 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000611724388 1172079900 /nfs/dbraw/zinc/07/99/00/1172079900.db2.gz OLAQIUTYUDLXGW-ZWKOTPCHSA-N 2 2 368.522 0.849 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]3O)ccn12 ZINC001083460885 1192505496 /nfs/dbraw/zinc/50/54/96/1192505496.db2.gz CRBAQTZDPSWJCD-SJORKVTESA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]3O)ccn12 ZINC001083460885 1192505501 /nfs/dbraw/zinc/50/55/01/1192505501.db2.gz CRBAQTZDPSWJCD-SJORKVTESA-N 2 2 358.442 0.844 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000988811363 1192518962 /nfs/dbraw/zinc/51/89/62/1192518962.db2.gz NHUPLSKIRSRSFK-INWMFGNUSA-N 2 2 363.462 0.550 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000988811363 1192518965 /nfs/dbraw/zinc/51/89/65/1192518965.db2.gz NHUPLSKIRSRSFK-INWMFGNUSA-N 2 2 363.462 0.550 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C)n1 ZINC001088679294 1192818512 /nfs/dbraw/zinc/81/85/12/1192818512.db2.gz LMIFISSHRILPHO-SKDZVZGDSA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C)n1 ZINC001088679294 1192818513 /nfs/dbraw/zinc/81/85/13/1192818513.db2.gz LMIFISSHRILPHO-SKDZVZGDSA-N 2 2 371.489 0.933 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)CC2)C1=O ZINC000897756585 1192844657 /nfs/dbraw/zinc/84/46/57/1192844657.db2.gz OADMEOBPEJYIEW-IRXDYDNUSA-N 2 2 374.489 0.601 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)CC2)C1=O ZINC000897756585 1192844658 /nfs/dbraw/zinc/84/46/58/1192844658.db2.gz OADMEOBPEJYIEW-IRXDYDNUSA-N 2 2 374.489 0.601 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000842056655 1192864931 /nfs/dbraw/zinc/86/49/31/1192864931.db2.gz BTKIDSHRRKGAOB-BBRMVZONSA-N 2 2 357.414 0.063 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001075943455 1192869886 /nfs/dbraw/zinc/86/98/86/1192869886.db2.gz RHGTVMYROYHYCM-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001075943455 1192869887 /nfs/dbraw/zinc/86/98/87/1192869887.db2.gz RHGTVMYROYHYCM-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001075943455 1192869890 /nfs/dbraw/zinc/86/98/90/1192869890.db2.gz RHGTVMYROYHYCM-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001075943455 1192869892 /nfs/dbraw/zinc/86/98/92/1192869892.db2.gz RHGTVMYROYHYCM-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)on1 ZINC001691760944 1178974183 /nfs/dbraw/zinc/97/41/83/1178974183.db2.gz OBNCNTQQJDXFIX-FMKPAKJESA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)on1 ZINC001691760944 1178974196 /nfs/dbraw/zinc/97/41/96/1178974196.db2.gz OBNCNTQQJDXFIX-FMKPAKJESA-N 2 2 366.462 0.731 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)C1CCC1 ZINC001083259541 1179317234 /nfs/dbraw/zinc/31/72/34/1179317234.db2.gz GRBPOAYXZGCYCZ-OKZBNKHCSA-N 2 2 362.474 0.987 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1)C1CCC1 ZINC001083259541 1179317241 /nfs/dbraw/zinc/31/72/41/1179317241.db2.gz GRBPOAYXZGCYCZ-OKZBNKHCSA-N 2 2 362.474 0.987 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450941 1179753741 /nfs/dbraw/zinc/75/37/41/1179753741.db2.gz KSKBPXDGOQWCFE-JFIYKMOQSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450941 1179753751 /nfs/dbraw/zinc/75/37/51/1179753751.db2.gz KSKBPXDGOQWCFE-JFIYKMOQSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450941 1179753759 /nfs/dbraw/zinc/75/37/59/1179753759.db2.gz KSKBPXDGOQWCFE-JFIYKMOQSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450941 1179753765 /nfs/dbraw/zinc/75/37/65/1179753765.db2.gz KSKBPXDGOQWCFE-JFIYKMOQSA-N 2 2 363.506 0.776 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972587654 1179855125 /nfs/dbraw/zinc/85/51/25/1179855125.db2.gz IOUSOJOUIVRIMM-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000972587654 1179855127 /nfs/dbraw/zinc/85/51/27/1179855127.db2.gz IOUSOJOUIVRIMM-HYVNUMGLSA-N 2 2 359.474 0.886 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001083262221 1179895544 /nfs/dbraw/zinc/89/55/44/1179895544.db2.gz JRGOBFYLKSIZTB-FGTMMUONSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]21 ZINC001083262221 1179895547 /nfs/dbraw/zinc/89/55/47/1179895547.db2.gz JRGOBFYLKSIZTB-FGTMMUONSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023601043 1179906731 /nfs/dbraw/zinc/90/67/31/1179906731.db2.gz NAOPAURCJTVIQG-FVQBIDKESA-N 2 2 357.462 0.681 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023601043 1179906743 /nfs/dbraw/zinc/90/67/43/1179906743.db2.gz NAOPAURCJTVIQG-FVQBIDKESA-N 2 2 357.462 0.681 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001087247892 1180002359 /nfs/dbraw/zinc/00/23/59/1180002359.db2.gz FUCLOPZNOQNAJL-KBMXLJTQSA-N 2 2 364.494 0.551 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001087247892 1180002376 /nfs/dbraw/zinc/00/23/76/1180002376.db2.gz FUCLOPZNOQNAJL-KBMXLJTQSA-N 2 2 364.494 0.551 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ncnn2C)C1 ZINC001087248255 1180011902 /nfs/dbraw/zinc/01/19/02/1180011902.db2.gz VTSPUTRHTWROLB-OWCLPIDISA-N 2 2 364.494 0.253 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ncnn2C)C1 ZINC001087248255 1180011906 /nfs/dbraw/zinc/01/19/06/1180011906.db2.gz VTSPUTRHTWROLB-OWCLPIDISA-N 2 2 364.494 0.253 20 0 FCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001087251373 1180102567 /nfs/dbraw/zinc/10/25/67/1180102567.db2.gz REQFOXZFXAKHLH-PMPSAXMXSA-N 2 2 357.462 0.879 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734295 1180234720 /nfs/dbraw/zinc/23/47/20/1180234720.db2.gz OICRUTGYGMWSRI-DLBZAZTESA-N 2 2 355.442 0.556 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001023803146 1180338644 /nfs/dbraw/zinc/33/86/44/1180338644.db2.gz JDQCOCDPNFUUTQ-HZPDHXFCSA-N 2 2 368.397 0.070 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972739335 1180694225 /nfs/dbraw/zinc/69/42/25/1180694225.db2.gz PVKYLRFPACZRFI-ZMSDIMECSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972739335 1180694241 /nfs/dbraw/zinc/69/42/41/1180694241.db2.gz PVKYLRFPACZRFI-ZMSDIMECSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972739335 1180694253 /nfs/dbraw/zinc/69/42/53/1180694253.db2.gz PVKYLRFPACZRFI-ZMSDIMECSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972739335 1180694276 /nfs/dbraw/zinc/69/42/76/1180694276.db2.gz PVKYLRFPACZRFI-ZMSDIMECSA-N 2 2 359.474 0.886 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000972828906 1180868169 /nfs/dbraw/zinc/86/81/69/1180868169.db2.gz YXXCLNUTSHMITD-BRWVUGGUSA-N 2 2 371.485 0.601 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)CC1 ZINC000972850286 1180893655 /nfs/dbraw/zinc/89/36/55/1180893655.db2.gz GLNJWRWVFGYQOK-YFHUEUNASA-N 2 2 371.485 0.914 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC000972850286 1180893659 /nfs/dbraw/zinc/89/36/59/1180893659.db2.gz GLNJWRWVFGYQOK-YFHUEUNASA-N 2 2 371.485 0.914 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024164615 1180932982 /nfs/dbraw/zinc/93/29/82/1180932982.db2.gz FEHFUVSMZGFRTA-FVQBIDKESA-N 2 2 357.462 0.681 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)CC1 ZINC000548933642 1181362044 /nfs/dbraw/zinc/36/20/44/1181362044.db2.gz INTPHKKUVZLIDP-BSWAZPDLSA-N 2 2 367.490 0.770 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)CC1 ZINC000548933642 1181362051 /nfs/dbraw/zinc/36/20/51/1181362051.db2.gz INTPHKKUVZLIDP-BSWAZPDLSA-N 2 2 367.490 0.770 20 0 FCADLP CCn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001025000985 1181845802 /nfs/dbraw/zinc/84/58/02/1181845802.db2.gz NBTWUIUPLNHEHI-DJIMGWMZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001025000985 1181845806 /nfs/dbraw/zinc/84/58/06/1181845806.db2.gz NBTWUIUPLNHEHI-DJIMGWMZSA-N 2 2 364.494 0.488 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CC1 ZINC000972989774 1181851228 /nfs/dbraw/zinc/85/12/28/1181851228.db2.gz KUSCWUFNDTXHPZ-NVXWUHKLSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC000972989774 1181851233 /nfs/dbraw/zinc/85/12/33/1181851233.db2.gz KUSCWUFNDTXHPZ-NVXWUHKLSA-N 2 2 359.474 0.743 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)CCOCC[NH3+])C2)c1 ZINC000892609467 1181927550 /nfs/dbraw/zinc/92/75/50/1181927550.db2.gz QBOOTNIRZRNFIJ-SFHVURJKSA-N 2 2 364.490 0.813 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)CCOCC[NH3+])C2)c1 ZINC000892609467 1181927555 /nfs/dbraw/zinc/92/75/55/1181927555.db2.gz QBOOTNIRZRNFIJ-SFHVURJKSA-N 2 2 364.490 0.813 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104588691 1182253348 /nfs/dbraw/zinc/25/33/48/1182253348.db2.gz LQTJJNFUHWJZHF-FXUDXRNXSA-N 2 2 363.510 0.515 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104588691 1182253354 /nfs/dbraw/zinc/25/33/54/1182253354.db2.gz LQTJJNFUHWJZHF-FXUDXRNXSA-N 2 2 363.510 0.515 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]Cc1ncnn1CCF ZINC001104729029 1182400942 /nfs/dbraw/zinc/40/09/42/1182400942.db2.gz NHMTYMDDQHYEAG-ZIAGYGMSSA-N 2 2 363.441 0.788 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnnn2C)C1)n1cc[nH+]c1 ZINC001104738424 1182410968 /nfs/dbraw/zinc/41/09/68/1182410968.db2.gz UXRIOQVWVJZFIQ-RBSFLKMASA-N 2 2 360.466 0.632 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001025684180 1182682314 /nfs/dbraw/zinc/68/23/14/1182682314.db2.gz YIKBESGTUGYMQY-JCURWCKSSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001025684180 1182682320 /nfs/dbraw/zinc/68/23/20/1182682320.db2.gz YIKBESGTUGYMQY-JCURWCKSSA-N 2 2 371.441 0.349 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025802935 1182857825 /nfs/dbraw/zinc/85/78/25/1182857825.db2.gz NHGPLQZGFMEZBZ-IAGOWNOFSA-N 2 2 371.441 0.016 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001026054449 1182876295 /nfs/dbraw/zinc/87/62/95/1182876295.db2.gz AYPVVYZGAJSORC-DEEDKQTDSA-N 2 2 366.412 0.994 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]21 ZINC001026054449 1182876298 /nfs/dbraw/zinc/87/62/98/1182876298.db2.gz AYPVVYZGAJSORC-DEEDKQTDSA-N 2 2 366.412 0.994 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001026050751 1182876499 /nfs/dbraw/zinc/87/64/99/1182876499.db2.gz BPGAPSGJDKVOSM-ZGIZYORZSA-N 2 2 357.458 0.237 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001026050751 1182876500 /nfs/dbraw/zinc/87/65/00/1182876500.db2.gz BPGAPSGJDKVOSM-ZGIZYORZSA-N 2 2 357.458 0.237 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)C[C@@H]21 ZINC001083290696 1182901821 /nfs/dbraw/zinc/90/18/21/1182901821.db2.gz PUVLPAIWUZIQGX-RCCFBDPRSA-N 2 2 362.474 0.736 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)C[C@@H]21 ZINC001083290696 1182901829 /nfs/dbraw/zinc/90/18/29/1182901829.db2.gz PUVLPAIWUZIQGX-RCCFBDPRSA-N 2 2 362.474 0.736 20 0 FCADLP CCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)no1 ZINC001104907985 1182989454 /nfs/dbraw/zinc/98/94/54/1182989454.db2.gz CUMKFFLMHFOPKO-HUUCEWRRSA-N 2 2 367.494 0.784 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104910641 1182992455 /nfs/dbraw/zinc/99/24/55/1182992455.db2.gz LAZVUOLPUXNNOB-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001104954418 1183018612 /nfs/dbraw/zinc/01/86/12/1183018612.db2.gz AKJLVUPYTMSLJP-CZUORRHYSA-N 2 2 361.490 0.861 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000974186086 1183039670 /nfs/dbraw/zinc/03/96/70/1183039670.db2.gz XHMGPEPPQVMSMY-BKQXGZDCSA-N 2 2 359.474 0.627 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000974186086 1183039676 /nfs/dbraw/zinc/03/96/76/1183039676.db2.gz XHMGPEPPQVMSMY-BKQXGZDCSA-N 2 2 359.474 0.627 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001105041678 1183089744 /nfs/dbraw/zinc/08/97/44/1183089744.db2.gz HBZXCGQFCPULGO-FVQBIDKESA-N 2 2 364.494 0.408 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC001105041678 1183089750 /nfs/dbraw/zinc/08/97/50/1183089750.db2.gz HBZXCGQFCPULGO-FVQBIDKESA-N 2 2 364.494 0.408 20 0 FCADLP COc1cncc(C[NH2+]CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001105101812 1183122354 /nfs/dbraw/zinc/12/23/54/1183122354.db2.gz GZNCAUUXTFFPDV-HUUCEWRRSA-N 2 2 358.446 0.956 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105610 1183124095 /nfs/dbraw/zinc/12/40/95/1183124095.db2.gz ZJIRMCKACGINRA-KZNAEPCWSA-N 2 2 366.506 0.991 20 0 FCADLP O=C(NC1CCC([NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001026509426 1183144364 /nfs/dbraw/zinc/14/43/64/1183144364.db2.gz RKBXSJJBPUXCOP-NEXFUWMNSA-N 2 2 360.462 0.555 20 0 FCADLP 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Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000979588482 1186100724 /nfs/dbraw/zinc/10/07/24/1186100724.db2.gz YJYDAZZFSOXSFJ-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979588486 1186100988 /nfs/dbraw/zinc/10/09/88/1186100988.db2.gz YJYDAZZFSOXSFJ-QCODTGAPSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000979588486 1186100992 /nfs/dbraw/zinc/10/09/92/1186100992.db2.gz YJYDAZZFSOXSFJ-QCODTGAPSA-N 2 2 359.474 0.629 20 0 FCADLP COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)nn1 ZINC001027966895 1186243818 /nfs/dbraw/zinc/24/38/18/1186243818.db2.gz XGSNSQVSCLUTMJ-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)nn1 ZINC001027966895 1186243822 /nfs/dbraw/zinc/24/38/22/1186243822.db2.gz XGSNSQVSCLUTMJ-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001027966895 1186243826 /nfs/dbraw/zinc/24/38/26/1186243826.db2.gz XGSNSQVSCLUTMJ-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[NH+]2CCC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001027966895 1186243831 /nfs/dbraw/zinc/24/38/31/1186243831.db2.gz XGSNSQVSCLUTMJ-VNQPRFMTSA-N 2 2 363.462 0.285 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211697290 1186334653 /nfs/dbraw/zinc/33/46/53/1186334653.db2.gz ZZFMKSUTBLNCCG-IXDOHACOSA-N 2 2 358.442 0.544 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[N@H+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000981379703 1186406711 /nfs/dbraw/zinc/40/67/11/1186406711.db2.gz UDXBZLWATVYLJH-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000981379703 1186406715 /nfs/dbraw/zinc/40/67/15/1186406715.db2.gz UDXBZLWATVYLJH-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[N@H+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000981379703 1186406718 /nfs/dbraw/zinc/40/67/18/1186406718.db2.gz UDXBZLWATVYLJH-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000981379703 1186406720 /nfs/dbraw/zinc/40/67/20/1186406720.db2.gz UDXBZLWATVYLJH-BZUAXINKSA-N 2 2 359.474 0.964 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981784955 1186520578 /nfs/dbraw/zinc/52/05/78/1186520578.db2.gz YHJCATORYVWFKL-LSDHHAIUSA-N 2 2 359.474 0.758 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2ccnn2C)C3)O1 ZINC000981842785 1186545137 /nfs/dbraw/zinc/54/51/37/1186545137.db2.gz LVGVXWHTCFHSDS-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CCC[NH+](Cc2ccnn2C)C3)O1 ZINC000981842785 1186545144 /nfs/dbraw/zinc/54/51/44/1186545144.db2.gz LVGVXWHTCFHSDS-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@H+](Cc2ccnn2C)C3)O1 ZINC000981842785 1186545149 /nfs/dbraw/zinc/54/51/49/1186545149.db2.gz LVGVXWHTCFHSDS-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CCC[N@@H+](Cc2ccnn2C)C3)O1 ZINC000981842785 1186545155 /nfs/dbraw/zinc/54/51/55/1186545155.db2.gz LVGVXWHTCFHSDS-NVXWUHKLSA-N 2 2 361.490 0.564 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1)NC1CC1 ZINC001211733667 1187534728 /nfs/dbraw/zinc/53/47/28/1187534728.db2.gz BSJAUSPTDGAFJR-ZWKOTPCHSA-N 2 2 367.453 0.746 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211733753 1187535903 /nfs/dbraw/zinc/53/59/03/1187535903.db2.gz COANPEQALHJBJZ-HYVNUMGLSA-N 2 2 355.442 0.602 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001028552075 1187604121 /nfs/dbraw/zinc/60/41/21/1187604121.db2.gz FVGLVANAIVUVAE-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001028552075 1187604125 /nfs/dbraw/zinc/60/41/25/1187604125.db2.gz FVGLVANAIVUVAE-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001028552075 1187604127 /nfs/dbraw/zinc/60/41/27/1187604127.db2.gz FVGLVANAIVUVAE-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001028552075 1187604130 /nfs/dbraw/zinc/60/41/30/1187604130.db2.gz FVGLVANAIVUVAE-QLFBSQMISA-N 2 2 363.462 0.782 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372673 1187693949 /nfs/dbraw/zinc/69/39/49/1187693949.db2.gz AFZTVKKMSROGLJ-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372673 1187693952 /nfs/dbraw/zinc/69/39/52/1187693952.db2.gz AFZTVKKMSROGLJ-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372673 1187693955 /nfs/dbraw/zinc/69/39/55/1187693955.db2.gz AFZTVKKMSROGLJ-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1O ZINC001083372673 1187693957 /nfs/dbraw/zinc/69/39/57/1187693957.db2.gz AFZTVKKMSROGLJ-QYZOEREBSA-N 2 2 369.469 0.628 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385642 1187714026 /nfs/dbraw/zinc/71/40/26/1187714026.db2.gz UIEXWQNDFHRKEP-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385642 1187714028 /nfs/dbraw/zinc/71/40/28/1187714028.db2.gz UIEXWQNDFHRKEP-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385642 1187714029 /nfs/dbraw/zinc/71/40/29/1187714029.db2.gz UIEXWQNDFHRKEP-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]2O)C1 ZINC001083385642 1187714031 /nfs/dbraw/zinc/71/40/31/1187714031.db2.gz UIEXWQNDFHRKEP-HSALFYBXSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385709 1187714360 /nfs/dbraw/zinc/71/43/60/1187714360.db2.gz WSBPUADBCZERII-FGTMMUONSA-N 2 2 369.506 0.218 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385709 1187714363 /nfs/dbraw/zinc/71/43/63/1187714363.db2.gz WSBPUADBCZERII-FGTMMUONSA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385709 1187714367 /nfs/dbraw/zinc/71/43/67/1187714367.db2.gz WSBPUADBCZERII-FGTMMUONSA-N 2 2 369.506 0.218 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC3CCCCCC3)C[C@@H]2O)C1 ZINC001083385709 1187714371 /nfs/dbraw/zinc/71/43/71/1187714371.db2.gz WSBPUADBCZERII-FGTMMUONSA-N 2 2 369.506 0.218 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629830 1187759155 /nfs/dbraw/zinc/75/91/55/1187759155.db2.gz TYCVUEXJGFQPPE-IIDMSEBBSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629830 1187759158 /nfs/dbraw/zinc/75/91/58/1187759158.db2.gz TYCVUEXJGFQPPE-IIDMSEBBSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629830 1187759161 /nfs/dbraw/zinc/75/91/61/1187759161.db2.gz TYCVUEXJGFQPPE-IIDMSEBBSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)O1 ZINC001028629830 1187759163 /nfs/dbraw/zinc/75/91/63/1187759163.db2.gz TYCVUEXJGFQPPE-IIDMSEBBSA-N 2 2 361.490 0.487 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000983018289 1187816152 /nfs/dbraw/zinc/81/61/52/1187816152.db2.gz JTFBFZXGVKOGJW-ARFHVFGLSA-N 2 2 371.485 0.584 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001270155696 1188033378 /nfs/dbraw/zinc/03/33/78/1188033378.db2.gz QJEWQEBIHIIKAW-HOTGVXAUSA-N 2 2 359.474 0.759 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC001270334156 1188099445 /nfs/dbraw/zinc/09/94/45/1188099445.db2.gz YPINNWRDCZLIOK-DJIMGWMZSA-N 2 2 359.474 0.854 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC001270334156 1188099447 /nfs/dbraw/zinc/09/94/47/1188099447.db2.gz YPINNWRDCZLIOK-DJIMGWMZSA-N 2 2 359.474 0.854 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC001270369816 1188123679 /nfs/dbraw/zinc/12/36/79/1188123679.db2.gz CNHYZZQCCQATQU-DNVCBOLYSA-N 2 2 359.474 0.601 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000550098734 1188223794 /nfs/dbraw/zinc/22/37/94/1188223794.db2.gz VCEQYPDXVYSVOK-INIZCTEOSA-N 2 2 373.457 0.424 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000550098734 1188223798 /nfs/dbraw/zinc/22/37/98/1188223798.db2.gz VCEQYPDXVYSVOK-INIZCTEOSA-N 2 2 373.457 0.424 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000550137038 1188233058 /nfs/dbraw/zinc/23/30/58/1188233058.db2.gz VNWFCXYUAMDNAH-UHFFFAOYSA-N 2 2 368.522 0.405 20 0 FCADLP Cc1nnc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001029112201 1188294396 /nfs/dbraw/zinc/29/43/96/1188294396.db2.gz XRJKCVHAMZJJKB-DVOMOZLQSA-N 2 2 364.494 0.549 20 0 FCADLP Cc1nnc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001029112201 1188294399 /nfs/dbraw/zinc/29/43/99/1188294399.db2.gz XRJKCVHAMZJJKB-DVOMOZLQSA-N 2 2 364.494 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000983892126 1188381673 /nfs/dbraw/zinc/38/16/73/1188381673.db2.gz TXNQGYMNSIWQFS-WCXIOVBPSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000983892126 1188381681 /nfs/dbraw/zinc/38/16/81/1188381681.db2.gz TXNQGYMNSIWQFS-WCXIOVBPSA-N 2 2 361.490 0.967 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@@H+]([C@@H]5CCNC5=O)C[C@H]43)ccn12 ZINC001075791591 1188389210 /nfs/dbraw/zinc/38/92/10/1188389210.db2.gz VOGDTVHYJLFLGY-ARFHVFGLSA-N 2 2 353.426 0.678 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@H+]([C@@H]5CCNC5=O)C[C@H]43)ccn12 ZINC001075791591 1188389213 /nfs/dbraw/zinc/38/92/13/1188389213.db2.gz VOGDTVHYJLFLGY-ARFHVFGLSA-N 2 2 353.426 0.678 20 0 FCADLP O=C(N[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983927094 1188399339 /nfs/dbraw/zinc/39/93/39/1188399339.db2.gz NBGRBMIXYHCLFX-OXGONZEZSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(N[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCNC(=O)CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983927094 1188399344 /nfs/dbraw/zinc/39/93/44/1188399344.db2.gz NBGRBMIXYHCLFX-OXGONZEZSA-N 2 2 359.474 0.914 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001087529874 1189385168 /nfs/dbraw/zinc/38/51/68/1189385168.db2.gz XBZYPUPFFXHQNY-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccnc(OC)c1 ZINC001087529874 1189385171 /nfs/dbraw/zinc/38/51/71/1189385171.db2.gz XBZYPUPFFXHQNY-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccnc(OC)c1 ZINC001087529874 1189385176 /nfs/dbraw/zinc/38/51/76/1189385176.db2.gz XBZYPUPFFXHQNY-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccnc(OC)c1 ZINC001087529874 1189385180 /nfs/dbraw/zinc/38/51/80/1189385180.db2.gz XBZYPUPFFXHQNY-GVDBMIGSSA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569925 1189605555 /nfs/dbraw/zinc/60/55/55/1189605555.db2.gz SOLRXJXKVUNUCV-ZNMIVQPWSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569925 1189605572 /nfs/dbraw/zinc/60/55/72/1189605572.db2.gz SOLRXJXKVUNUCV-ZNMIVQPWSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569925 1189605595 /nfs/dbraw/zinc/60/55/95/1189605595.db2.gz SOLRXJXKVUNUCV-ZNMIVQPWSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087569925 1189605612 /nfs/dbraw/zinc/60/56/12/1189605612.db2.gz SOLRXJXKVUNUCV-ZNMIVQPWSA-N 2 2 364.494 0.450 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001087631316 1189681462 /nfs/dbraw/zinc/68/14/62/1189681462.db2.gz UYIXEWVRURQAKU-RRQGHBQHSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CC(=O)NC1CC1 ZINC001087631316 1189681466 /nfs/dbraw/zinc/68/14/66/1189681466.db2.gz UYIXEWVRURQAKU-RRQGHBQHSA-N 2 2 359.474 0.693 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC[N@@H+]1CC(=O)N(C)C ZINC001087703294 1189786922 /nfs/dbraw/zinc/78/69/22/1189786922.db2.gz PGURHCLEVLSUHN-HYVNUMGLSA-N 2 2 361.490 0.811 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC[N@H+]1CC(=O)N(C)C ZINC001087703294 1189786935 /nfs/dbraw/zinc/78/69/35/1189786935.db2.gz PGURHCLEVLSUHN-HYVNUMGLSA-N 2 2 361.490 0.811 20 0 FCADLP CC[N@H+](CCC(=O)OC)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840002391 1189807336 /nfs/dbraw/zinc/80/73/36/1189807336.db2.gz HGTCVDIHKLUIOM-CALCHBBNSA-N 2 2 373.453 0.946 20 0 FCADLP CC[N@@H+](CCC(=O)OC)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840002391 1189807338 /nfs/dbraw/zinc/80/73/38/1189807338.db2.gz HGTCVDIHKLUIOM-CALCHBBNSA-N 2 2 373.453 0.946 20 0 FCADLP CC[NH+](CCC(=O)OC)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840002391 1189807339 /nfs/dbraw/zinc/80/73/39/1189807339.db2.gz HGTCVDIHKLUIOM-CALCHBBNSA-N 2 2 373.453 0.946 20 0 FCADLP CC[NH+](CCC(=O)OC)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840002391 1189807342 /nfs/dbraw/zinc/80/73/42/1189807342.db2.gz HGTCVDIHKLUIOM-CALCHBBNSA-N 2 2 373.453 0.946 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001271144231 1189815603 /nfs/dbraw/zinc/81/56/03/1189815603.db2.gz XIBFEPFQPOPLBA-BRWVUGGUSA-N 2 2 359.474 0.959 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001271144231 1189815604 /nfs/dbraw/zinc/81/56/04/1189815604.db2.gz XIBFEPFQPOPLBA-BRWVUGGUSA-N 2 2 359.474 0.959 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087773454 1189821574 /nfs/dbraw/zinc/82/15/74/1189821574.db2.gz OTSHYHQPMHCJEF-LSDHHAIUSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087773454 1189821578 /nfs/dbraw/zinc/82/15/78/1189821578.db2.gz OTSHYHQPMHCJEF-LSDHHAIUSA-N 2 2 364.494 0.309 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001087847425 1189851255 /nfs/dbraw/zinc/85/12/55/1189851255.db2.gz VNPOSWVMDZACJC-JKSUJKDBSA-N 2 2 363.462 0.147 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087847425 1189851259 /nfs/dbraw/zinc/85/12/59/1189851259.db2.gz VNPOSWVMDZACJC-JKSUJKDBSA-N 2 2 363.462 0.147 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908517 1189894103 /nfs/dbraw/zinc/89/41/03/1189894103.db2.gz FDOIFTFKEBLMIO-YCPHGPKFSA-N 2 2 359.478 0.383 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908517 1189894105 /nfs/dbraw/zinc/89/41/05/1189894105.db2.gz FDOIFTFKEBLMIO-YCPHGPKFSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908517 1189894110 /nfs/dbraw/zinc/89/41/10/1189894110.db2.gz FDOIFTFKEBLMIO-YCPHGPKFSA-N 2 2 359.478 0.383 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087908517 1189894112 /nfs/dbraw/zinc/89/41/12/1189894112.db2.gz FDOIFTFKEBLMIO-YCPHGPKFSA-N 2 2 359.478 0.383 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920273 1189904016 /nfs/dbraw/zinc/90/40/16/1189904016.db2.gz JOXDQAPLNHBBNU-RVKKMQEKSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920273 1189904022 /nfs/dbraw/zinc/90/40/22/1189904022.db2.gz JOXDQAPLNHBBNU-RVKKMQEKSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920273 1189904026 /nfs/dbraw/zinc/90/40/26/1189904026.db2.gz JOXDQAPLNHBBNU-RVKKMQEKSA-N 2 2 362.474 0.848 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920273 1189904030 /nfs/dbraw/zinc/90/40/30/1189904030.db2.gz JOXDQAPLNHBBNU-RVKKMQEKSA-N 2 2 362.474 0.848 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087950274 1189980251 /nfs/dbraw/zinc/98/02/51/1189980251.db2.gz KJOIFGBQLDKGIO-CABCVRRESA-N 2 2 360.462 0.148 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087950274 1189980267 /nfs/dbraw/zinc/98/02/67/1189980267.db2.gz KJOIFGBQLDKGIO-CABCVRRESA-N 2 2 360.462 0.148 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963983 1190009928 /nfs/dbraw/zinc/00/99/28/1190009928.db2.gz QBDZDVQLWFWSRU-SOLBZPMBSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963983 1190009930 /nfs/dbraw/zinc/00/99/30/1190009930.db2.gz QBDZDVQLWFWSRU-SOLBZPMBSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963983 1190009934 /nfs/dbraw/zinc/00/99/34/1190009934.db2.gz QBDZDVQLWFWSRU-SOLBZPMBSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963983 1190009938 /nfs/dbraw/zinc/00/99/38/1190009938.db2.gz QBDZDVQLWFWSRU-SOLBZPMBSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963982 1190010688 /nfs/dbraw/zinc/01/06/88/1190010688.db2.gz QBDZDVQLWFWSRU-RYRKJORJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963982 1190010690 /nfs/dbraw/zinc/01/06/90/1190010690.db2.gz QBDZDVQLWFWSRU-RYRKJORJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963982 1190010695 /nfs/dbraw/zinc/01/06/95/1190010695.db2.gz QBDZDVQLWFWSRU-RYRKJORJSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087963982 1190010699 /nfs/dbraw/zinc/01/06/99/1190010699.db2.gz QBDZDVQLWFWSRU-RYRKJORJSA-N 2 2 360.506 0.968 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967877 1190025101 /nfs/dbraw/zinc/02/51/01/1190025101.db2.gz PXSUCKAIJQAJKJ-IKGGRYGDSA-N 2 2 358.490 0.437 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967877 1190025108 /nfs/dbraw/zinc/02/51/08/1190025108.db2.gz PXSUCKAIJQAJKJ-IKGGRYGDSA-N 2 2 358.490 0.437 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087969839 1190026787 /nfs/dbraw/zinc/02/67/87/1190026787.db2.gz RDRHTENCNOACIG-WCXIOVBPSA-N 2 2 371.485 0.420 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)CC[C@@H]2C1 ZINC001087969839 1190026791 /nfs/dbraw/zinc/02/67/91/1190026791.db2.gz RDRHTENCNOACIG-WCXIOVBPSA-N 2 2 371.485 0.420 20 0 FCADLP C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896567233 1190094676 /nfs/dbraw/zinc/09/46/76/1190094676.db2.gz FJNMGTUUTKQUJQ-PXNSSMCTSA-N 2 2 373.545 0.798 20 0 FCADLP C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896567233 1190094680 /nfs/dbraw/zinc/09/46/80/1190094680.db2.gz FJNMGTUUTKQUJQ-PXNSSMCTSA-N 2 2 373.545 0.798 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087989216 1190134373 /nfs/dbraw/zinc/13/43/73/1190134373.db2.gz UYPYIDBXOCEHTE-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087989216 1190134377 /nfs/dbraw/zinc/13/43/77/1190134377.db2.gz UYPYIDBXOCEHTE-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087989216 1190134384 /nfs/dbraw/zinc/13/43/84/1190134384.db2.gz UYPYIDBXOCEHTE-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087989216 1190134388 /nfs/dbraw/zinc/13/43/88/1190134388.db2.gz UYPYIDBXOCEHTE-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)NC1CC1 ZINC001087994225 1190147424 /nfs/dbraw/zinc/14/74/24/1190147424.db2.gz XJHOUHIAMGCHEN-HLLBOEOZSA-N 2 2 371.485 0.819 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1)NC1CC1 ZINC001087994225 1190147427 /nfs/dbraw/zinc/14/74/27/1190147427.db2.gz XJHOUHIAMGCHEN-HLLBOEOZSA-N 2 2 371.485 0.819 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000984818447 1190158201 /nfs/dbraw/zinc/15/82/01/1190158201.db2.gz HIGYPMQIWSMECP-OXGONZEZSA-N 2 2 369.473 0.787 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nncn1C ZINC000984824668 1190162976 /nfs/dbraw/zinc/16/29/76/1190162976.db2.gz OSHWZYVIEPXYTO-BTFPBAQTSA-N 2 2 357.462 0.898 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nnnn1C ZINC000984825362 1190163795 /nfs/dbraw/zinc/16/37/95/1190163795.db2.gz WWRZULWRBLHYLM-QSLWVIQJSA-N 2 2 358.450 0.293 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088000417 1190171869 /nfs/dbraw/zinc/17/18/69/1190171869.db2.gz FOLIBZGIFWGZFH-QKPAOTATSA-N 2 2 372.473 0.319 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088000417 1190171873 /nfs/dbraw/zinc/17/18/73/1190171873.db2.gz FOLIBZGIFWGZFH-QKPAOTATSA-N 2 2 372.473 0.319 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088000417 1190171876 /nfs/dbraw/zinc/17/18/76/1190171876.db2.gz FOLIBZGIFWGZFH-QKPAOTATSA-N 2 2 372.473 0.319 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088000417 1190171880 /nfs/dbraw/zinc/17/18/80/1190171880.db2.gz FOLIBZGIFWGZFH-QKPAOTATSA-N 2 2 372.473 0.319 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]3C2)n1C ZINC001088010898 1190209533 /nfs/dbraw/zinc/20/95/33/1190209533.db2.gz PKJPQDTWHMTTGS-OWCLPIDISA-N 2 2 362.522 0.998 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]3C2)n1C ZINC001088010898 1190209536 /nfs/dbraw/zinc/20/95/36/1190209536.db2.gz PKJPQDTWHMTTGS-OWCLPIDISA-N 2 2 362.522 0.998 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021632 1190240261 /nfs/dbraw/zinc/24/02/61/1190240261.db2.gz WPVRFKBSDOWJEQ-MJBXVCDLSA-N 2 2 363.462 0.265 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021632 1190240269 /nfs/dbraw/zinc/24/02/69/1190240269.db2.gz WPVRFKBSDOWJEQ-MJBXVCDLSA-N 2 2 363.462 0.265 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000985160515 1190659285 /nfs/dbraw/zinc/65/92/85/1190659285.db2.gz BYDSAQAFGWNNQE-BBWFWOEESA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000985160515 1190659292 /nfs/dbraw/zinc/65/92/92/1190659292.db2.gz BYDSAQAFGWNNQE-BBWFWOEESA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000985162142 1190660399 /nfs/dbraw/zinc/66/03/99/1190660399.db2.gz LQOWMUCGXXBJOJ-DLBZAZTESA-N 2 2 361.490 0.800 20 0 FCADLP CN(CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12)c1cccc[nH+]1 ZINC001271870817 1190738707 /nfs/dbraw/zinc/73/87/07/1190738707.db2.gz NGEFKMKMOSROJP-HUUCEWRRSA-N 2 2 357.458 0.187 20 0 FCADLP CN(CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12)c1cccc[nH+]1 ZINC001271870817 1190738709 /nfs/dbraw/zinc/73/87/09/1190738709.db2.gz NGEFKMKMOSROJP-HUUCEWRRSA-N 2 2 357.458 0.187 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3nncn3C)C2)O1 ZINC001088336247 1190751723 /nfs/dbraw/zinc/75/17/23/1190751723.db2.gz YYMMLCOEAVOCOU-BZUAXINKSA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3nncn3C)C2)O1 ZINC001088336247 1190751726 /nfs/dbraw/zinc/75/17/26/1190751726.db2.gz YYMMLCOEAVOCOU-BZUAXINKSA-N 2 2 364.494 0.395 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(CCCCCC(N)=O)C(=O)CO3)CC1 ZINC001276756838 1224109862 /nfs/dbraw/zinc/10/98/62/1224109862.db2.gz FZERJEINPUXITB-LJQANCHMSA-N 2 2 366.506 0.430 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(CCCCCC(N)=O)C(=O)CO3)CC1 ZINC001276756838 1224109863 /nfs/dbraw/zinc/10/98/63/1224109863.db2.gz FZERJEINPUXITB-LJQANCHMSA-N 2 2 366.506 0.430 20 0 FCADLP Cc1noc(CN2C(=O)C[C@]3(CCC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC001276756547 1224111918 /nfs/dbraw/zinc/11/19/18/1224111918.db2.gz UYPXAEQEBUEDNT-SFHVURJKSA-N 2 2 361.446 0.813 20 0 FCADLP Cc1noc(CN2C(=O)C[C@]3(CCC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC001276756547 1224111919 /nfs/dbraw/zinc/11/19/19/1224111919.db2.gz UYPXAEQEBUEDNT-SFHVURJKSA-N 2 2 361.446 0.813 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986192302 1190918145 /nfs/dbraw/zinc/91/81/45/1190918145.db2.gz POOLNVNHKQLBGZ-MXSMSXNCSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@H+]1C ZINC000986192302 1190918148 /nfs/dbraw/zinc/91/81/48/1190918148.db2.gz POOLNVNHKQLBGZ-MXSMSXNCSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)CC[C@@H]3C2)CC[N@@H+]1C ZINC000986193068 1190918686 /nfs/dbraw/zinc/91/86/86/1190918686.db2.gz GHWXRWWZSWEPEE-WCXIOVBPSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)CC[C@@H]3C2)CC[N@H+]1C ZINC000986193068 1190918687 /nfs/dbraw/zinc/91/86/87/1190918687.db2.gz GHWXRWWZSWEPEE-WCXIOVBPSA-N 2 2 359.474 0.530 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986402920 1190973957 /nfs/dbraw/zinc/97/39/57/1190973957.db2.gz HCHXZQKHDZQEAZ-CVEARBPZSA-N 2 2 370.457 0.854 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2nonc2c1 ZINC001088505986 1191063217 /nfs/dbraw/zinc/06/32/17/1191063217.db2.gz CVWDCEHQAXARPK-IFIJOSMWSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2nonc2c1 ZINC001088505986 1191063220 /nfs/dbraw/zinc/06/32/20/1191063220.db2.gz CVWDCEHQAXARPK-IFIJOSMWSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2nonc2c1 ZINC001088505986 1191063223 /nfs/dbraw/zinc/06/32/23/1191063223.db2.gz CVWDCEHQAXARPK-IFIJOSMWSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2nonc2c1 ZINC001088505986 1191063228 /nfs/dbraw/zinc/06/32/28/1191063228.db2.gz CVWDCEHQAXARPK-IFIJOSMWSA-N 2 2 359.430 0.632 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001088506086 1191063345 /nfs/dbraw/zinc/06/33/45/1191063345.db2.gz HDYNOSIYRSTXQQ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001088506086 1191063349 /nfs/dbraw/zinc/06/33/49/1191063349.db2.gz HDYNOSIYRSTXQQ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001088506086 1191063353 /nfs/dbraw/zinc/06/33/53/1191063353.db2.gz HDYNOSIYRSTXQQ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001088506086 1191063356 /nfs/dbraw/zinc/06/33/56/1191063356.db2.gz HDYNOSIYRSTXQQ-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(CO)ccc1F ZINC001088506195 1191063415 /nfs/dbraw/zinc/06/34/15/1191063415.db2.gz LSOJSHVJRVKCNJ-BVGQSLNGSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(CO)ccc1F ZINC001088506195 1191063418 /nfs/dbraw/zinc/06/34/18/1191063418.db2.gz LSOJSHVJRVKCNJ-BVGQSLNGSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(CO)ccc1F ZINC001088506195 1191063421 /nfs/dbraw/zinc/06/34/21/1191063421.db2.gz LSOJSHVJRVKCNJ-BVGQSLNGSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(CO)ccc1F ZINC001088506195 1191063424 /nfs/dbraw/zinc/06/34/24/1191063424.db2.gz LSOJSHVJRVKCNJ-BVGQSLNGSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000729604981 1191119511 /nfs/dbraw/zinc/11/95/11/1191119511.db2.gz DNBMSYWWFKZGDK-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000729604981 1191119513 /nfs/dbraw/zinc/11/95/13/1191119513.db2.gz DNBMSYWWFKZGDK-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC000988269713 1191171369 /nfs/dbraw/zinc/17/13/69/1191171369.db2.gz NKLZKRYASJOZID-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC000988269713 1191171372 /nfs/dbraw/zinc/17/13/72/1191171372.db2.gz NKLZKRYASJOZID-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@H]2C1 ZINC001218196690 1224146545 /nfs/dbraw/zinc/14/65/45/1224146545.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 2 362.474 0.771 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@H]2C1 ZINC001218196690 1224146547 /nfs/dbraw/zinc/14/65/47/1224146547.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 2 362.474 0.771 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@H]2C1 ZINC001218196690 1224146548 /nfs/dbraw/zinc/14/65/48/1224146548.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 2 362.474 0.771 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@H]2C1 ZINC001218196690 1224146550 /nfs/dbraw/zinc/14/65/50/1224146550.db2.gz UUSNLYKAJVRCAF-FHLIZLRMSA-N 2 2 362.474 0.771 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218196997 1224146769 /nfs/dbraw/zinc/14/67/69/1224146769.db2.gz XARHIYIHKRZEJV-RYQLBKOJSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218196997 1224146771 /nfs/dbraw/zinc/14/67/71/1224146771.db2.gz XARHIYIHKRZEJV-RYQLBKOJSA-N 2 2 362.474 0.784 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306990 1224153576 /nfs/dbraw/zinc/15/35/76/1224153576.db2.gz UQKWNXJQXHWZPB-HRCADAONSA-N 2 2 363.462 0.147 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306990 1224153577 /nfs/dbraw/zinc/15/35/77/1224153577.db2.gz UQKWNXJQXHWZPB-HRCADAONSA-N 2 2 363.462 0.147 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550644233 1193721718 /nfs/dbraw/zinc/72/17/18/1193721718.db2.gz CAZQQFAVCALJTJ-CVEARBPZSA-N 2 2 369.473 0.737 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550644233 1193721726 /nfs/dbraw/zinc/72/17/26/1193721726.db2.gz CAZQQFAVCALJTJ-CVEARBPZSA-N 2 2 369.473 0.737 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550663922 1193728483 /nfs/dbraw/zinc/72/84/83/1193728483.db2.gz OJQWTPPASMCTGD-BBWFWOEESA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000550665134 1193728996 /nfs/dbraw/zinc/72/89/96/1193728996.db2.gz DUCYUSQBXSCJGC-HZPDHXFCSA-N 2 2 370.538 0.552 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001691595970 1193770173 /nfs/dbraw/zinc/77/01/73/1193770173.db2.gz VVFHXSSMJBURPX-LZWOXQAQSA-N 2 2 357.462 0.996 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001691595970 1193770177 /nfs/dbraw/zinc/77/01/77/1193770177.db2.gz VVFHXSSMJBURPX-LZWOXQAQSA-N 2 2 357.462 0.996 20 0 FCADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2)n1 ZINC001670859764 1193773657 /nfs/dbraw/zinc/77/36/57/1193773657.db2.gz NIXOGJXZPJMYTG-MSOLQXFVSA-N 2 2 368.485 0.899 20 0 FCADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC2)n1 ZINC001670859764 1193773659 /nfs/dbraw/zinc/77/36/59/1193773659.db2.gz NIXOGJXZPJMYTG-MSOLQXFVSA-N 2 2 368.485 0.899 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557518 1224172429 /nfs/dbraw/zinc/17/24/29/1224172429.db2.gz AZTSNLSIKDUYLA-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557518 1224172435 /nfs/dbraw/zinc/17/24/35/1224172435.db2.gz AZTSNLSIKDUYLA-IXDOHACOSA-N 2 2 368.522 0.495 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218543659 1224170570 /nfs/dbraw/zinc/17/05/70/1224170570.db2.gz ULWBSEALDQHMFA-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001218543659 1224170574 /nfs/dbraw/zinc/17/05/74/1224170574.db2.gz ULWBSEALDQHMFA-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088751811 1193885198 /nfs/dbraw/zinc/88/51/98/1193885198.db2.gz GYCFLJVMTXQVRW-CABCVRRESA-N 2 2 359.474 0.573 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC[N@H+]1CC(=O)N1CCC1 ZINC001088751811 1193885199 /nfs/dbraw/zinc/88/51/99/1193885199.db2.gz GYCFLJVMTXQVRW-CABCVRRESA-N 2 2 359.474 0.573 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001075968588 1193886734 /nfs/dbraw/zinc/88/67/34/1193886734.db2.gz IHVHNOHXMHFFER-LZLYRXPVSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075968588 1193886737 /nfs/dbraw/zinc/88/67/37/1193886737.db2.gz IHVHNOHXMHFFER-LZLYRXPVSA-N 2 2 354.458 0.875 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1F ZINC001083472676 1193904863 /nfs/dbraw/zinc/90/48/63/1193904863.db2.gz LASMTNFPYMGXSL-WNOSKKOXSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cc1F ZINC001083472676 1193904866 /nfs/dbraw/zinc/90/48/66/1193904866.db2.gz LASMTNFPYMGXSL-WNOSKKOXSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)cc1F ZINC001083472676 1193904872 /nfs/dbraw/zinc/90/48/72/1193904872.db2.gz LASMTNFPYMGXSL-WNOSKKOXSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)cc1F ZINC001083472676 1193904880 /nfs/dbraw/zinc/90/48/80/1193904880.db2.gz LASMTNFPYMGXSL-WNOSKKOXSA-N 2 2 365.449 0.836 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)N1CCC1 ZINC001075993403 1193929784 /nfs/dbraw/zinc/92/97/84/1193929784.db2.gz SVGJISZXHXYDFD-DOTOQJQBSA-N 2 2 353.426 0.713 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1)N1CCC1 ZINC001075993403 1193929788 /nfs/dbraw/zinc/92/97/88/1193929788.db2.gz SVGJISZXHXYDFD-DOTOQJQBSA-N 2 2 353.426 0.713 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2c[nH+]cn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668030 1193946592 /nfs/dbraw/zinc/94/65/92/1193946592.db2.gz VYRLMNLUCCVZII-RWQQGDIJSA-N 2 2 364.490 0.311 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000553686698 1194015209 /nfs/dbraw/zinc/01/52/09/1194015209.db2.gz GSNIADWPUREDJC-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000553686698 1194015213 /nfs/dbraw/zinc/01/52/13/1194015213.db2.gz GSNIADWPUREDJC-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811291 1194072014 /nfs/dbraw/zinc/07/20/14/1194072014.db2.gz VJWXQDGKEZYEPJ-ILXRZTDVSA-N 2 2 364.494 0.309 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811291 1194072018 /nfs/dbraw/zinc/07/20/18/1194072018.db2.gz VJWXQDGKEZYEPJ-ILXRZTDVSA-N 2 2 364.494 0.309 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811291 1194072022 /nfs/dbraw/zinc/07/20/22/1194072022.db2.gz VJWXQDGKEZYEPJ-ILXRZTDVSA-N 2 2 364.494 0.309 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC001088811291 1194072027 /nfs/dbraw/zinc/07/20/27/1194072027.db2.gz VJWXQDGKEZYEPJ-ILXRZTDVSA-N 2 2 364.494 0.309 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815595 1194111103 /nfs/dbraw/zinc/11/11/03/1194111103.db2.gz WRVZMDMHZIXMBP-KBMXLJTQSA-N 2 2 366.462 0.871 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815595 1194111108 /nfs/dbraw/zinc/11/11/08/1194111108.db2.gz WRVZMDMHZIXMBP-KBMXLJTQSA-N 2 2 366.462 0.871 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815595 1194111114 /nfs/dbraw/zinc/11/11/14/1194111114.db2.gz WRVZMDMHZIXMBP-KBMXLJTQSA-N 2 2 366.462 0.871 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)on1 ZINC001088815595 1194111119 /nfs/dbraw/zinc/11/11/19/1194111119.db2.gz WRVZMDMHZIXMBP-KBMXLJTQSA-N 2 2 366.462 0.871 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N3CCC3)[C@@H]1C)CC2 ZINC001088821596 1194150339 /nfs/dbraw/zinc/15/03/39/1194150339.db2.gz DMDLJVFHHPQDOJ-UNEWFSDZSA-N 2 2 359.474 0.565 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N3CCC3)[C@@H]1C)CC2 ZINC001088821596 1194150342 /nfs/dbraw/zinc/15/03/42/1194150342.db2.gz DMDLJVFHHPQDOJ-UNEWFSDZSA-N 2 2 359.474 0.565 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001076076848 1194290572 /nfs/dbraw/zinc/29/05/72/1194290572.db2.gz LJCICBWJFQUEOV-MANSERQUSA-N 2 2 363.502 0.809 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001076076848 1194290577 /nfs/dbraw/zinc/29/05/77/1194290577.db2.gz LJCICBWJFQUEOV-MANSERQUSA-N 2 2 363.502 0.809 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076078265 1194291931 /nfs/dbraw/zinc/29/19/31/1194291931.db2.gz VBUISFQGAZTVHO-ARFHVFGLSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001076078265 1194291935 /nfs/dbraw/zinc/29/19/35/1194291935.db2.gz VBUISFQGAZTVHO-ARFHVFGLSA-N 2 2 359.474 0.506 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076107498 1194308774 /nfs/dbraw/zinc/30/87/74/1194308774.db2.gz ZDTQLFIPHRENRS-ARFHVFGLSA-N 2 2 355.446 0.585 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076107498 1194308779 /nfs/dbraw/zinc/30/87/79/1194308779.db2.gz ZDTQLFIPHRENRS-ARFHVFGLSA-N 2 2 355.446 0.585 20 0 FCADLP CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001218735346 1224207281 /nfs/dbraw/zinc/20/72/81/1224207281.db2.gz SNWCJDUSZOIXJS-HNNXBMFYSA-N 2 2 359.434 0.309 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001076261359 1194378037 /nfs/dbraw/zinc/37/80/37/1194378037.db2.gz DVUWYVPEJSAOOS-BVIKNXMNSA-N 2 2 354.458 0.953 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001076261359 1194378041 /nfs/dbraw/zinc/37/80/41/1194378041.db2.gz DVUWYVPEJSAOOS-BVIKNXMNSA-N 2 2 354.458 0.953 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365808 1194420858 /nfs/dbraw/zinc/42/08/58/1194420858.db2.gz NTRKIXKWKPPVJK-XYJFISCASA-N 2 2 359.474 0.793 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365808 1194420864 /nfs/dbraw/zinc/42/08/64/1194420864.db2.gz NTRKIXKWKPPVJK-XYJFISCASA-N 2 2 359.474 0.793 20 0 FCADLP COC(=O)c1cc(-c2ccn(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)c(=N)c2N)ccc1C ZINC001218771838 1224216602 /nfs/dbraw/zinc/21/66/02/1224216602.db2.gz WTPBUTAMKAAWAF-WFASDCNBSA-N 2 2 369.425 0.641 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076407626 1194453360 /nfs/dbraw/zinc/45/33/60/1194453360.db2.gz NXQDNPSNJXWXTM-MAUKXSAKSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)n1 ZINC001076407626 1194453368 /nfs/dbraw/zinc/45/33/68/1194453368.db2.gz NXQDNPSNJXWXTM-MAUKXSAKSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795510 1224220275 /nfs/dbraw/zinc/22/02/75/1224220275.db2.gz LLQYTBKKGYTHKW-BRWVUGGUSA-N 2 2 363.506 0.734 20 0 FCADLP Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795510 1224220283 /nfs/dbraw/zinc/22/02/83/1224220283.db2.gz LLQYTBKKGYTHKW-BRWVUGGUSA-N 2 2 363.506 0.734 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504679 1194529690 /nfs/dbraw/zinc/52/96/90/1194529690.db2.gz LWTKUHDBHUGGBM-USXIJHARSA-N 2 2 359.474 0.803 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504679 1194529696 /nfs/dbraw/zinc/52/96/96/1194529696.db2.gz LWTKUHDBHUGGBM-USXIJHARSA-N 2 2 359.474 0.803 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789753 1224223648 /nfs/dbraw/zinc/22/36/48/1224223648.db2.gz SDVAJBKMNYLLPX-ZWKOTPCHSA-N 2 2 369.506 0.437 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789753 1224223654 /nfs/dbraw/zinc/22/36/54/1224223654.db2.gz SDVAJBKMNYLLPX-ZWKOTPCHSA-N 2 2 369.506 0.437 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576510 1194582666 /nfs/dbraw/zinc/58/26/66/1194582666.db2.gz OJWGBCWCBXVTJJ-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001076576510 1194582670 /nfs/dbraw/zinc/58/26/70/1194582670.db2.gz OJWGBCWCBXVTJJ-QILLFSRXSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589456 1194585611 /nfs/dbraw/zinc/58/56/11/1194585611.db2.gz XSUISWCCVKOMIO-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589456 1194585614 /nfs/dbraw/zinc/58/56/14/1194585614.db2.gz XSUISWCCVKOMIO-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589456 1194585616 /nfs/dbraw/zinc/58/56/16/1194585616.db2.gz XSUISWCCVKOMIO-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4nccnc4C)C[C@H]32)C1 ZINC001076589456 1194585619 /nfs/dbraw/zinc/58/56/19/1194585619.db2.gz XSUISWCCVKOMIO-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218798307 1224226824 /nfs/dbraw/zinc/22/68/24/1224226824.db2.gz OZCBOQKHZDSCLG-LBPRGKRZSA-N 3 2 356.430 0.586 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874891 1224243340 /nfs/dbraw/zinc/24/33/40/1224243340.db2.gz ZCCRQNVKPSYEKI-UHFFFAOYSA-N 3 2 361.490 0.081 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]3O)ccn12 ZINC001076996671 1195134952 /nfs/dbraw/zinc/13/49/52/1195134952.db2.gz JAENKZNEYXDOTR-BRWVUGGUSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@H]3O)ccn12 ZINC001076996671 1195134957 /nfs/dbraw/zinc/13/49/57/1195134957.db2.gz JAENKZNEYXDOTR-BRWVUGGUSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCOC4CCC4)C[C@H]3O)ccn12 ZINC001076996588 1195135164 /nfs/dbraw/zinc/13/51/64/1195135164.db2.gz DZELNUWVPDXBBN-IAGOWNOFSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCOC4CCC4)C[C@H]3O)ccn12 ZINC001076996588 1195135169 /nfs/dbraw/zinc/13/51/69/1195135169.db2.gz DZELNUWVPDXBBN-IAGOWNOFSA-N 2 2 358.442 0.987 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007629 1195142445 /nfs/dbraw/zinc/14/24/45/1195142445.db2.gz VYXBWGUNRDGKEI-KBAYOESNSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007629 1195142450 /nfs/dbraw/zinc/14/24/50/1195142450.db2.gz VYXBWGUNRDGKEI-KBAYOESNSA-N 2 2 362.474 0.549 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)ccn1 ZINC001077007414 1195143286 /nfs/dbraw/zinc/14/32/86/1195143286.db2.gz MDBUIICCFQYGDS-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)ccn1 ZINC001077007414 1195143294 /nfs/dbraw/zinc/14/32/94/1195143294.db2.gz MDBUIICCFQYGDS-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077032792 1195164996 /nfs/dbraw/zinc/16/49/96/1195164996.db2.gz ADSJWNLDPLPPAO-USXIJHARSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001077032792 1195165004 /nfs/dbraw/zinc/16/50/04/1195165004.db2.gz ADSJWNLDPLPPAO-USXIJHARSA-N 2 2 362.474 0.350 20 0 FCADLP CC[C@@]1(c2ccc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc2)CCC(=O)NC1=O ZINC001218947692 1224269989 /nfs/dbraw/zinc/26/99/89/1224269989.db2.gz GFPITSVNRUTNLG-SFHVURJKSA-N 2 2 358.442 0.790 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2O)O1 ZINC001083566394 1195299681 /nfs/dbraw/zinc/29/96/81/1195299681.db2.gz HTZWFUNGCAKZJC-NKGKWGDASA-N 2 2 365.449 0.249 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2O)O1 ZINC001083566394 1195299687 /nfs/dbraw/zinc/29/96/87/1195299687.db2.gz HTZWFUNGCAKZJC-NKGKWGDASA-N 2 2 365.449 0.249 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccccc3F)C[C@@H]2O)O1 ZINC001083566394 1195299694 /nfs/dbraw/zinc/29/96/94/1195299694.db2.gz HTZWFUNGCAKZJC-NKGKWGDASA-N 2 2 365.449 0.249 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@@H]2O)O1 ZINC001083566394 1195299700 /nfs/dbraw/zinc/29/97/00/1195299700.db2.gz HTZWFUNGCAKZJC-NKGKWGDASA-N 2 2 365.449 0.249 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1C ZINC001077220759 1195329675 /nfs/dbraw/zinc/32/96/75/1195329675.db2.gz TUONIDLWFMRXQJ-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1C ZINC001077220759 1195329680 /nfs/dbraw/zinc/32/96/80/1195329680.db2.gz TUONIDLWFMRXQJ-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1C ZINC001077220759 1195329684 /nfs/dbraw/zinc/32/96/84/1195329684.db2.gz TUONIDLWFMRXQJ-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1C ZINC001077220759 1195329688 /nfs/dbraw/zinc/32/96/88/1195329688.db2.gz TUONIDLWFMRXQJ-NXWXRZEISA-N 2 2 361.486 0.684 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001077222574 1195331404 /nfs/dbraw/zinc/33/14/04/1195331404.db2.gz RSUIWWSSUXIIRF-YSZSORHSSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001077222574 1195331407 /nfs/dbraw/zinc/33/14/07/1195331407.db2.gz RSUIWWSSUXIIRF-YSZSORHSSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001077222574 1195331411 /nfs/dbraw/zinc/33/14/11/1195331411.db2.gz RSUIWWSSUXIIRF-YSZSORHSSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2O)O1 ZINC001077222574 1195331416 /nfs/dbraw/zinc/33/14/16/1195331416.db2.gz RSUIWWSSUXIIRF-YSZSORHSSA-N 2 2 359.470 0.580 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236356 1195344271 /nfs/dbraw/zinc/34/42/71/1195344271.db2.gz JLAFZJISDNHNOF-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236356 1195344277 /nfs/dbraw/zinc/34/42/77/1195344277.db2.gz JLAFZJISDNHNOF-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236356 1195344282 /nfs/dbraw/zinc/34/42/82/1195344282.db2.gz JLAFZJISDNHNOF-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001077236356 1195344287 /nfs/dbraw/zinc/34/42/87/1195344287.db2.gz JLAFZJISDNHNOF-FGTMMUONSA-N 2 2 365.449 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077258983 1195363374 /nfs/dbraw/zinc/36/33/74/1195363374.db2.gz FFXFVRJYBFRWOU-GVDBMIGSSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077258983 1195363377 /nfs/dbraw/zinc/36/33/77/1195363377.db2.gz FFXFVRJYBFRWOU-GVDBMIGSSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260420 1195365398 /nfs/dbraw/zinc/36/53/98/1195365398.db2.gz GDTWMJGKYOUERG-KFKAGJAMSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260420 1195365401 /nfs/dbraw/zinc/36/54/01/1195365401.db2.gz GDTWMJGKYOUERG-KFKAGJAMSA-N 2 2 370.453 0.686 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)no1 ZINC001077275058 1195375242 /nfs/dbraw/zinc/37/52/42/1195375242.db2.gz PPMJKATUZGOTJZ-FVQBIDKESA-N 2 2 366.462 0.326 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)no1 ZINC001077275058 1195375248 /nfs/dbraw/zinc/37/52/48/1195375248.db2.gz PPMJKATUZGOTJZ-FVQBIDKESA-N 2 2 366.462 0.326 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218983502 1224277683 /nfs/dbraw/zinc/27/76/83/1224277683.db2.gz CZRKCWJDGWSFNQ-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218983502 1224277690 /nfs/dbraw/zinc/27/76/90/1224277690.db2.gz CZRKCWJDGWSFNQ-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571568 1195413908 /nfs/dbraw/zinc/41/39/08/1195413908.db2.gz CDBUSFSLMGYEJX-ZACQAIPSSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571568 1195413912 /nfs/dbraw/zinc/41/39/12/1195413912.db2.gz CDBUSFSLMGYEJX-ZACQAIPSSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571568 1195413921 /nfs/dbraw/zinc/41/39/21/1195413921.db2.gz CDBUSFSLMGYEJX-ZACQAIPSSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571568 1195413925 /nfs/dbraw/zinc/41/39/25/1195413925.db2.gz CDBUSFSLMGYEJX-ZACQAIPSSA-N 2 2 365.449 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077312070 1195416301 /nfs/dbraw/zinc/41/63/01/1195416301.db2.gz MPQIWINAFGTZNN-GUDVDZBRSA-N 2 2 366.421 0.843 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077312070 1195416306 /nfs/dbraw/zinc/41/63/06/1195416306.db2.gz MPQIWINAFGTZNN-GUDVDZBRSA-N 2 2 366.421 0.843 20 0 FCADLP COC(=O)c1c2[nH]ncc2ccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218987849 1224279692 /nfs/dbraw/zinc/27/96/92/1224279692.db2.gz NROAUMVJRWZVOZ-LBPRGKRZSA-N 2 2 360.418 0.038 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000882 1224282489 /nfs/dbraw/zinc/28/24/89/1224282489.db2.gz DXFABVPPOMJLBV-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000882 1224282494 /nfs/dbraw/zinc/28/24/94/1224282494.db2.gz DXFABVPPOMJLBV-ZWKOTPCHSA-N 2 2 361.490 0.929 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001077395059 1195492395 /nfs/dbraw/zinc/49/23/95/1195492395.db2.gz RDLYVOGSJSUAJY-IAGOWNOFSA-N 2 2 362.405 0.184 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001077395059 1195492399 /nfs/dbraw/zinc/49/23/99/1195492399.db2.gz RDLYVOGSJSUAJY-IAGOWNOFSA-N 2 2 362.405 0.184 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)ccn1 ZINC001077395999 1195492953 /nfs/dbraw/zinc/49/29/53/1195492953.db2.gz JPTWSOOEXXLTKC-IAGOWNOFSA-N 2 2 367.409 0.713 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)ccn1 ZINC001077395999 1195492958 /nfs/dbraw/zinc/49/29/58/1195492958.db2.gz JPTWSOOEXXLTKC-IAGOWNOFSA-N 2 2 367.409 0.713 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083579909 1195529419 /nfs/dbraw/zinc/52/94/19/1195529419.db2.gz HZTPCZWAWIJYHT-LZQZEXGQSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083579909 1195529423 /nfs/dbraw/zinc/52/94/23/1195529423.db2.gz HZTPCZWAWIJYHT-LZQZEXGQSA-N 2 2 370.453 0.686 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583419 1195538424 /nfs/dbraw/zinc/53/84/24/1195538424.db2.gz GBWZAWBPFRUZBN-QRQLOZEOSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583419 1195538426 /nfs/dbraw/zinc/53/84/26/1195538426.db2.gz GBWZAWBPFRUZBN-QRQLOZEOSA-N 2 2 370.453 0.299 20 0 FCADLP C[C@@](O)(C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(F)F ZINC000905107800 1195575415 /nfs/dbraw/zinc/57/54/15/1195575415.db2.gz CCRLMEBJPUUGJY-CXAGYDPISA-N 2 2 371.432 0.888 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000906375501 1195626399 /nfs/dbraw/zinc/62/63/99/1195626399.db2.gz GDSQTNRSEMDZTC-SFHVURJKSA-N 2 2 373.501 0.568 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)Nc2cccc(C[NH+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000906375501 1195626403 /nfs/dbraw/zinc/62/64/03/1195626403.db2.gz GDSQTNRSEMDZTC-SFHVURJKSA-N 2 2 373.501 0.568 20 0 FCADLP CN1CC[NH+](C)CC(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000906375501 1195626414 /nfs/dbraw/zinc/62/64/14/1195626414.db2.gz GDSQTNRSEMDZTC-SFHVURJKSA-N 2 2 373.501 0.568 20 0 FCADLP CN1CC[NH+](C)CC(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000906375501 1195626418 /nfs/dbraw/zinc/62/64/18/1195626418.db2.gz GDSQTNRSEMDZTC-SFHVURJKSA-N 2 2 373.501 0.568 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c1 ZINC001083601907 1195664650 /nfs/dbraw/zinc/66/46/50/1195664650.db2.gz SZSJEGGMOXVYFT-MSOLQXFVSA-N 2 2 359.470 0.985 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c1 ZINC001083601907 1195664653 /nfs/dbraw/zinc/66/46/53/1195664653.db2.gz SZSJEGGMOXVYFT-MSOLQXFVSA-N 2 2 359.470 0.985 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603944 1195703806 /nfs/dbraw/zinc/70/38/06/1195703806.db2.gz LBEYKLMXJNQJNB-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603944 1195703812 /nfs/dbraw/zinc/70/38/12/1195703812.db2.gz LBEYKLMXJNQJNB-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603944 1195703817 /nfs/dbraw/zinc/70/38/17/1195703817.db2.gz LBEYKLMXJNQJNB-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907603944 1195703821 /nfs/dbraw/zinc/70/38/21/1195703821.db2.gz LBEYKLMXJNQJNB-HOTGVXAUSA-N 2 2 369.506 0.565 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000910951785 1195867902 /nfs/dbraw/zinc/86/79/02/1195867902.db2.gz FDXJONDBZMBZPC-ZWKOTPCHSA-N 2 2 374.485 0.201 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000910951785 1195867903 /nfs/dbraw/zinc/86/79/03/1195867903.db2.gz FDXJONDBZMBZPC-ZWKOTPCHSA-N 2 2 374.485 0.201 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2C)C[C@@H]1O ZINC001083644991 1195951890 /nfs/dbraw/zinc/95/18/90/1195951890.db2.gz FQAMBLJZTBROOB-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2C)C[C@@H]1O ZINC001083644991 1195951892 /nfs/dbraw/zinc/95/18/92/1195951892.db2.gz FQAMBLJZTBROOB-SJORKVTESA-N 2 2 358.442 0.740 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219052375 1224321641 /nfs/dbraw/zinc/32/16/41/1224321641.db2.gz XIMHIJXUUFWTNP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219052375 1224321651 /nfs/dbraw/zinc/32/16/51/1224321651.db2.gz XIMHIJXUUFWTNP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219052375 1224321661 /nfs/dbraw/zinc/32/16/61/1224321661.db2.gz XIMHIJXUUFWTNP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219052375 1224321671 /nfs/dbraw/zinc/32/16/71/1224321671.db2.gz XIMHIJXUUFWTNP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363825 1196324461 /nfs/dbraw/zinc/32/44/61/1196324461.db2.gz ZDPRCPPUHNPJJZ-KBEGMRNHSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363825 1196324467 /nfs/dbraw/zinc/32/44/67/1196324467.db2.gz ZDPRCPPUHNPJJZ-KBEGMRNHSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2cnnn2C)CC3)O1 ZINC000991363825 1196324469 /nfs/dbraw/zinc/32/44/69/1196324469.db2.gz ZDPRCPPUHNPJJZ-KBEGMRNHSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cnnn2C)CC3)O1 ZINC000991363825 1196324473 /nfs/dbraw/zinc/32/44/73/1196324473.db2.gz ZDPRCPPUHNPJJZ-KBEGMRNHSA-N 2 2 362.478 0.147 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C1CCC([NH+]2CCOCC2)CC1 ZINC000912894989 1196382359 /nfs/dbraw/zinc/38/23/59/1196382359.db2.gz RISQBWCRLREPAJ-UHFFFAOYSA-N 2 2 367.490 0.442 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)C1CCC([NH+]2CCOCC2)CC1 ZINC000912894989 1196382362 /nfs/dbraw/zinc/38/23/62/1196382362.db2.gz RISQBWCRLREPAJ-UHFFFAOYSA-N 2 2 367.490 0.442 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668488 1196390712 /nfs/dbraw/zinc/39/07/12/1196390712.db2.gz RXGDOZKEFRDTMI-SQNIBIBYSA-N 2 2 361.490 0.264 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668488 1196390719 /nfs/dbraw/zinc/39/07/19/1196390719.db2.gz RXGDOZKEFRDTMI-SQNIBIBYSA-N 2 2 361.490 0.264 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001083668904 1196392098 /nfs/dbraw/zinc/39/20/98/1196392098.db2.gz LNABAWGADYNIDM-RYRKJORJSA-N 2 2 362.474 0.827 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001083668904 1196392102 /nfs/dbraw/zinc/39/21/02/1196392102.db2.gz LNABAWGADYNIDM-RYRKJORJSA-N 2 2 362.474 0.827 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC1=O ZINC000591650848 1196523232 /nfs/dbraw/zinc/52/32/32/1196523232.db2.gz MFRFZIVJOVZOOM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC1=O ZINC000591650848 1196523238 /nfs/dbraw/zinc/52/32/38/1196523238.db2.gz MFRFZIVJOVZOOM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC000591650848 1196523244 /nfs/dbraw/zinc/52/32/44/1196523244.db2.gz MFRFZIVJOVZOOM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1=O ZINC000591650848 1196523247 /nfs/dbraw/zinc/52/32/47/1196523247.db2.gz MFRFZIVJOVZOOM-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000592962409 1196601643 /nfs/dbraw/zinc/60/16/43/1196601643.db2.gz DZBTUONKLCENOD-SFHVURJKSA-N 2 2 374.485 0.411 20 0 FCADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc[nH+]1 ZINC000594702749 1196734773 /nfs/dbraw/zinc/73/47/73/1196734773.db2.gz WQFAJYMUCIFDLD-BSXFFOKHSA-N 2 2 374.489 0.840 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038611 1196872189 /nfs/dbraw/zinc/87/21/89/1196872189.db2.gz DOBRXKVQFMFWLO-IPYPFGDCSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038611 1196872193 /nfs/dbraw/zinc/87/21/93/1196872193.db2.gz DOBRXKVQFMFWLO-IPYPFGDCSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038611 1196872194 /nfs/dbraw/zinc/87/21/94/1196872194.db2.gz DOBRXKVQFMFWLO-IPYPFGDCSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001089038611 1196872195 /nfs/dbraw/zinc/87/21/95/1196872195.db2.gz DOBRXKVQFMFWLO-IPYPFGDCSA-N 2 2 358.446 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1nc(-c2ccncn2)no1 ZINC001089039023 1196872496 /nfs/dbraw/zinc/87/24/96/1196872496.db2.gz SZJNPPVVKQPYAI-RDBSUJKOSA-N 2 2 371.445 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1nc(-c2ccncn2)no1 ZINC001089039023 1196872497 /nfs/dbraw/zinc/87/24/97/1196872497.db2.gz SZJNPPVVKQPYAI-RDBSUJKOSA-N 2 2 371.445 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1nc(-c2ccncn2)no1 ZINC001089039023 1196872499 /nfs/dbraw/zinc/87/24/99/1196872499.db2.gz SZJNPPVVKQPYAI-RDBSUJKOSA-N 2 2 371.445 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1nc(-c2ccncn2)no1 ZINC001089039023 1196872501 /nfs/dbraw/zinc/87/25/01/1196872501.db2.gz SZJNPPVVKQPYAI-RDBSUJKOSA-N 2 2 371.445 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1nc(-c2ccncn2)no1 ZINC001089039022 1196872664 /nfs/dbraw/zinc/87/26/64/1196872664.db2.gz SZJNPPVVKQPYAI-MCIONIFRSA-N 2 2 371.445 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1nc(-c2ccncn2)no1 ZINC001089039022 1196872665 /nfs/dbraw/zinc/87/26/65/1196872665.db2.gz SZJNPPVVKQPYAI-MCIONIFRSA-N 2 2 371.445 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1nc(-c2ccncn2)no1 ZINC001089039022 1196872666 /nfs/dbraw/zinc/87/26/66/1196872666.db2.gz SZJNPPVVKQPYAI-MCIONIFRSA-N 2 2 371.445 0.557 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1nc(-c2ccncn2)no1 ZINC001089039022 1196872667 /nfs/dbraw/zinc/87/26/67/1196872667.db2.gz SZJNPPVVKQPYAI-MCIONIFRSA-N 2 2 371.445 0.557 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001089041403 1196872964 /nfs/dbraw/zinc/87/29/64/1196872964.db2.gz UKEFASDIYVLWFF-CJNGLKHVSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)[C@@H]1C ZINC001089041403 1196872965 /nfs/dbraw/zinc/87/29/65/1196872965.db2.gz UKEFASDIYVLWFF-CJNGLKHVSA-N 2 2 363.462 0.066 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC000992224555 1197024987 /nfs/dbraw/zinc/02/49/87/1197024987.db2.gz WWJYXWLUWJDEMJ-YVTWGWGSSA-N 2 2 371.485 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC000992224555 1197024991 /nfs/dbraw/zinc/02/49/91/1197024991.db2.gz WWJYXWLUWJDEMJ-YVTWGWGSSA-N 2 2 371.485 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC000992243127 1197030236 /nfs/dbraw/zinc/03/02/36/1197030236.db2.gz UWHONIKQEBYZMH-MXHNKVEKSA-N 2 2 371.485 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992243127 1197030241 /nfs/dbraw/zinc/03/02/41/1197030241.db2.gz UWHONIKQEBYZMH-MXHNKVEKSA-N 2 2 371.485 0.915 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC[N@@H+]1C ZINC000992405829 1197090658 /nfs/dbraw/zinc/09/06/58/1197090658.db2.gz IQGUJOSVHQZBCH-CWRNSKLLSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC[N@H+]1C ZINC000992405829 1197090662 /nfs/dbraw/zinc/09/06/62/1197090662.db2.gz IQGUJOSVHQZBCH-CWRNSKLLSA-N 2 2 359.474 0.503 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001272466742 1197100399 /nfs/dbraw/zinc/10/03/99/1197100399.db2.gz HNNNZYJBSVVTHJ-NUEKZKHPSA-N 2 2 357.414 0.250 20 0 FCADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001272466742 1197100401 /nfs/dbraw/zinc/10/04/01/1197100401.db2.gz HNNNZYJBSVVTHJ-NUEKZKHPSA-N 2 2 357.414 0.250 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001272466217 1197101864 /nfs/dbraw/zinc/10/18/64/1197101864.db2.gz ATFZDOJZHJXHKJ-INIZCTEOSA-N 2 2 358.446 0.238 20 0 FCADLP C[NH+](C)CC1(O)CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000913677376 1197106707 /nfs/dbraw/zinc/10/67/07/1197106707.db2.gz MTGCDEXDNFMBEB-UHFFFAOYSA-N 2 2 364.490 0.349 20 0 FCADLP O=C(C1CN(c2cccc[nH+]2)C1)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001272557561 1197308766 /nfs/dbraw/zinc/30/87/66/1197308766.db2.gz JCWDRHLTYYMJBH-UHFFFAOYSA-N 2 2 352.442 0.975 20 0 FCADLP O=C(C1CN(c2cccc[nH+]2)C1)N1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001272557561 1197308772 /nfs/dbraw/zinc/30/87/72/1197308772.db2.gz JCWDRHLTYYMJBH-UHFFFAOYSA-N 2 2 352.442 0.975 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)CC[N@@H+]1C ZINC000992850690 1197563316 /nfs/dbraw/zinc/56/33/16/1197563316.db2.gz FYIAYMMGRIYCSE-UIVXKWKOSA-N 2 2 373.501 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)CC[N@H+]1C ZINC000992850690 1197563322 /nfs/dbraw/zinc/56/33/22/1197563322.db2.gz FYIAYMMGRIYCSE-UIVXKWKOSA-N 2 2 373.501 0.989 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000992935897 1197616270 /nfs/dbraw/zinc/61/62/70/1197616270.db2.gz UHHPVKGDBKLQQN-BEFAXECRSA-N 2 2 370.457 0.475 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@]3(C)C2)C1 ZINC000992940017 1197619909 /nfs/dbraw/zinc/61/99/09/1197619909.db2.gz JCIIEPMOYRUOEV-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@]3(C)C2)C1 ZINC000992940017 1197619910 /nfs/dbraw/zinc/61/99/10/1197619910.db2.gz JCIIEPMOYRUOEV-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000992940017 1197619917 /nfs/dbraw/zinc/61/99/17/1197619917.db2.gz JCIIEPMOYRUOEV-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000992940017 1197619922 /nfs/dbraw/zinc/61/99/22/1197619922.db2.gz JCIIEPMOYRUOEV-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199290 1197649355 /nfs/dbraw/zinc/64/93/55/1197649355.db2.gz STRWOGDQPVVECR-BZUAXINKSA-N 2 2 366.462 0.353 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199290 1197649370 /nfs/dbraw/zinc/64/93/70/1197649370.db2.gz STRWOGDQPVVECR-BZUAXINKSA-N 2 2 366.462 0.353 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000992991178 1197650703 /nfs/dbraw/zinc/65/07/03/1197650703.db2.gz PDEYFLBXMODYFR-NNFUDEMPSA-N 2 2 359.474 0.530 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)CC[N@H+]1C ZINC000992991178 1197650707 /nfs/dbraw/zinc/65/07/07/1197650707.db2.gz PDEYFLBXMODYFR-NNFUDEMPSA-N 2 2 359.474 0.530 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085231955 1197721233 /nfs/dbraw/zinc/72/12/33/1197721233.db2.gz CMYOFLGXXWEZQT-KBUPBQIOSA-N 2 2 360.462 0.555 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085231955 1197721253 /nfs/dbraw/zinc/72/12/53/1197721253.db2.gz CMYOFLGXXWEZQT-KBUPBQIOSA-N 2 2 360.462 0.555 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734276220 1197744161 /nfs/dbraw/zinc/74/41/61/1197744161.db2.gz WWAKLSDKFOFKQY-AEFFLSMTSA-N 2 2 367.538 0.565 20 0 FCADLP COC(=O)N1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277096 1197744226 /nfs/dbraw/zinc/74/42/26/1197744226.db2.gz XSEZHLOQMZZRJJ-GJZGRUSLSA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)N1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277096 1197744237 /nfs/dbraw/zinc/74/42/37/1197744237.db2.gz XSEZHLOQMZZRJJ-GJZGRUSLSA-N 2 2 367.494 0.685 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC000993084186 1197807279 /nfs/dbraw/zinc/80/72/79/1197807279.db2.gz IYQNCJYQMAXMBC-QFBILLFUSA-N 2 2 371.485 0.818 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085309082 1197811206 /nfs/dbraw/zinc/81/12/06/1197811206.db2.gz XGCQKJYAGXHQJE-BZUAXINKSA-N 2 2 364.494 0.441 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)C1 ZINC001085309082 1197811208 /nfs/dbraw/zinc/81/12/08/1197811208.db2.gz XGCQKJYAGXHQJE-BZUAXINKSA-N 2 2 364.494 0.441 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200865 1197838465 /nfs/dbraw/zinc/83/84/65/1197838465.db2.gz CNVBYFNDEBCMKM-RBSFLKMASA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200865 1197838467 /nfs/dbraw/zinc/83/84/67/1197838467.db2.gz CNVBYFNDEBCMKM-RBSFLKMASA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CC[NH+]1CCOCC1 ZINC000735478214 1197853141 /nfs/dbraw/zinc/85/31/41/1197853141.db2.gz ASZSEOMHFDLGSE-KRWDZBQOSA-N 2 2 361.490 0.431 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085391821 1197861210 /nfs/dbraw/zinc/86/12/10/1197861210.db2.gz XAHGZXZRXYMLOJ-INMHGKMJSA-N 2 2 368.441 0.786 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106343242 1197872230 /nfs/dbraw/zinc/87/22/30/1197872230.db2.gz VROCUCXBJAZWKX-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993158319 1197903511 /nfs/dbraw/zinc/90/35/11/1197903511.db2.gz ULQODYOYUCSWKE-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993158319 1197903517 /nfs/dbraw/zinc/90/35/17/1197903517.db2.gz ULQODYOYUCSWKE-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106461338 1197941722 /nfs/dbraw/zinc/94/17/22/1197941722.db2.gz WXRIWYMHZQDSGX-TVFCKZIOSA-N 2 2 369.506 0.197 20 0 FCADLP CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354266 1197976140 /nfs/dbraw/zinc/97/61/40/1197976140.db2.gz OSMGZLJWILSCNH-IBGZPJMESA-N 2 2 361.490 0.650 20 0 FCADLP CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354266 1197976144 /nfs/dbraw/zinc/97/61/44/1197976144.db2.gz OSMGZLJWILSCNH-IBGZPJMESA-N 2 2 361.490 0.650 20 0 FCADLP CC[NH+](C)CC(=O)N1CC[N@H+](Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354266 1197976146 /nfs/dbraw/zinc/97/61/46/1197976146.db2.gz OSMGZLJWILSCNH-IBGZPJMESA-N 2 2 361.490 0.650 20 0 FCADLP CC[NH+](C)CC(=O)N1CC[N@@H+](Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273354266 1197976151 /nfs/dbraw/zinc/97/61/51/1197976151.db2.gz OSMGZLJWILSCNH-IBGZPJMESA-N 2 2 361.490 0.650 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085670689 1197977432 /nfs/dbraw/zinc/97/74/32/1197977432.db2.gz CGZGQWJMGDBFDK-KZNAEPCWSA-N 2 2 363.506 0.752 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085670689 1197977447 /nfs/dbraw/zinc/97/74/47/1197977447.db2.gz CGZGQWJMGDBFDK-KZNAEPCWSA-N 2 2 363.506 0.752 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001085670689 1197977461 /nfs/dbraw/zinc/97/74/61/1197977461.db2.gz CGZGQWJMGDBFDK-KZNAEPCWSA-N 2 2 363.506 0.752 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106498764 1197979779 /nfs/dbraw/zinc/97/97/79/1197979779.db2.gz OMGMVPBJLISQHX-HUUCEWRRSA-N 2 2 361.446 0.106 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@@H]1O)CC2 ZINC001083731622 1198003034 /nfs/dbraw/zinc/00/30/34/1198003034.db2.gz HJWSPYBEWJKPIN-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@@H]1O)CC2 ZINC001083731622 1198003047 /nfs/dbraw/zinc/00/30/47/1198003047.db2.gz HJWSPYBEWJKPIN-IPELMVKDSA-N 2 2 369.469 0.819 20 0 FCADLP C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000738882348 1198005048 /nfs/dbraw/zinc/00/50/48/1198005048.db2.gz QLKSBZTTWUNSLK-QGZVFWFLSA-N 2 2 370.538 0.928 20 0 FCADLP C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000738882348 1198005061 /nfs/dbraw/zinc/00/50/61/1198005061.db2.gz QLKSBZTTWUNSLK-QGZVFWFLSA-N 2 2 370.538 0.928 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cccnc3C)C[C@@H]1O)CC2 ZINC001083731992 1198005397 /nfs/dbraw/zinc/00/53/97/1198005397.db2.gz YKMWCXLEORREAD-QRQLOZEOSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cccnc3C)C[C@@H]1O)CC2 ZINC001083731992 1198005404 /nfs/dbraw/zinc/00/54/04/1198005404.db2.gz YKMWCXLEORREAD-QRQLOZEOSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001085826264 1198016779 /nfs/dbraw/zinc/01/67/79/1198016779.db2.gz KFEFGCSCQAGGNB-BRWVUGGUSA-N 2 2 371.489 0.965 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001085826264 1198016792 /nfs/dbraw/zinc/01/67/92/1198016792.db2.gz KFEFGCSCQAGGNB-BRWVUGGUSA-N 2 2 371.489 0.965 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273383954 1198076473 /nfs/dbraw/zinc/07/64/73/1198076473.db2.gz DQAWBBMAXGEUJE-LPHOPBHVSA-N 2 2 359.474 0.854 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273383954 1198076479 /nfs/dbraw/zinc/07/64/79/1198076479.db2.gz DQAWBBMAXGEUJE-LPHOPBHVSA-N 2 2 359.474 0.854 20 0 FCADLP CC(C)c1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120775 1198182028 /nfs/dbraw/zinc/18/20/28/1198182028.db2.gz NKFAEYKLWFFPDL-APIJFGDWSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120775 1198182034 /nfs/dbraw/zinc/18/20/34/1198182034.db2.gz NKFAEYKLWFFPDL-APIJFGDWSA-N 2 2 365.478 0.897 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001086120522 1198182382 /nfs/dbraw/zinc/18/23/82/1198182382.db2.gz BUASMPJYUYNXOO-RJZRQDKASA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001086120522 1198182406 /nfs/dbraw/zinc/18/24/06/1198182406.db2.gz BUASMPJYUYNXOO-RJZRQDKASA-N 2 2 363.462 0.651 20 0 FCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181199369 1198284745 /nfs/dbraw/zinc/28/47/45/1198284745.db2.gz KEROICILMDTLHL-SFHVURJKSA-N 2 2 368.522 0.851 20 0 FCADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181199369 1198284767 /nfs/dbraw/zinc/28/47/67/1198284767.db2.gz KEROICILMDTLHL-SFHVURJKSA-N 2 2 368.522 0.851 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001066496219 1198315297 /nfs/dbraw/zinc/31/52/97/1198315297.db2.gz GBEKPHNVLCHNED-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392488 1198347198 /nfs/dbraw/zinc/34/71/98/1198347198.db2.gz QFQODRSFPBXAAQ-KJWHEZOQSA-N 2 2 355.446 0.777 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392488 1198347207 /nfs/dbraw/zinc/34/72/07/1198347207.db2.gz QFQODRSFPBXAAQ-KJWHEZOQSA-N 2 2 355.446 0.777 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400520 1198356027 /nfs/dbraw/zinc/35/60/27/1198356027.db2.gz KMBHWNPXYAIEOP-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400520 1198356034 /nfs/dbraw/zinc/35/60/34/1198356034.db2.gz KMBHWNPXYAIEOP-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP Cc1cc(N2CCOC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001066529433 1198376382 /nfs/dbraw/zinc/37/63/82/1198376382.db2.gz ZSFMQZZJRTUCQO-FVQBIDKESA-N 2 2 363.462 0.134 20 0 FCADLP Cc1cc(N2CCOC[C@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001066529433 1198376393 /nfs/dbraw/zinc/37/63/93/1198376393.db2.gz ZSFMQZZJRTUCQO-FVQBIDKESA-N 2 2 363.462 0.134 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)Nc1cccc3c1[C@@H]1C[NH2+]C[C@@H]1O3)C[NH2+]C2 ZINC001219533674 1224500259 /nfs/dbraw/zinc/50/02/59/1224500259.db2.gz NSSUDZOGAFRXRT-HFAKWTLXSA-N 2 2 354.414 0.571 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC001086482019 1198956100 /nfs/dbraw/zinc/95/61/00/1198956100.db2.gz JICNEEJSFMWXHT-KBUPBQIOSA-N 2 2 371.489 0.899 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CO1 ZINC001169410368 1199065677 /nfs/dbraw/zinc/06/56/77/1199065677.db2.gz MUBYECLWHMGFGO-IRXDYDNUSA-N 2 2 367.490 0.759 20 0 FCADLP 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COc1ccc(C[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830340 1224642691 /nfs/dbraw/zinc/64/26/91/1224642691.db2.gz VZULOLIPZDZTLA-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219830340 1224642696 /nfs/dbraw/zinc/64/26/96/1224642696.db2.gz VZULOLIPZDZTLA-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)cn1 ZINC001219830340 1224642698 /nfs/dbraw/zinc/64/26/98/1224642698.db2.gz VZULOLIPZDZTLA-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H](O)C2)cn1 ZINC001219830340 1224642704 /nfs/dbraw/zinc/64/27/04/1224642704.db2.gz VZULOLIPZDZTLA-ZACQAIPSSA-N 2 2 362.474 0.626 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](CCCCCn3cncn3)CC2)O1 ZINC001113008690 1200986042 /nfs/dbraw/zinc/98/60/42/1200986042.db2.gz ZJHFDLNJWUCSCX-IAGOWNOFSA-N 2 2 364.494 0.312 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000789752627 1201028016 /nfs/dbraw/zinc/02/80/16/1201028016.db2.gz JSIRTHDSMVOBIS-ZBFHGGJFSA-N 2 2 363.462 0.147 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000789752625 1201028438 /nfs/dbraw/zinc/02/84/38/1201028438.db2.gz JSIRTHDSMVOBIS-GOEBONIOSA-N 2 2 363.462 0.147 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C[NH+]1CCCC1 ZINC000790187881 1201058379 /nfs/dbraw/zinc/05/83/79/1201058379.db2.gz ITSLPTQQPURIIP-JKSUJKDBSA-N 2 2 361.490 0.974 20 0 FCADLP O=C1CCCN1[C@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361054 1201067773 /nfs/dbraw/zinc/06/77/73/1201067773.db2.gz BCQYNXFLPGMCIN-LPHOPBHVSA-N 2 2 362.474 0.947 20 0 FCADLP O=C1CCCN1[C@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361054 1201067782 /nfs/dbraw/zinc/06/77/82/1201067782.db2.gz BCQYNXFLPGMCIN-LPHOPBHVSA-N 2 2 362.474 0.947 20 0 FCADLP O=C1O[C@]2(CN1CN1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCC2CC1 ZINC000790371610 1201074603 /nfs/dbraw/zinc/07/46/03/1201074603.db2.gz TVLYEZHNJCZSLN-HKUYNNGSSA-N 2 2 364.490 0.657 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2cccnc2)C1 ZINC001110101223 1201257729 /nfs/dbraw/zinc/25/77/29/1201257729.db2.gz FOXGVTVXAIKOOO-MHORFTMASA-N 2 2 371.485 0.371 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2cccnc2)C1 ZINC001110101223 1201257734 /nfs/dbraw/zinc/25/77/34/1201257734.db2.gz FOXGVTVXAIKOOO-MHORFTMASA-N 2 2 371.485 0.371 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2cccnc2)C1 ZINC001110101223 1201257741 /nfs/dbraw/zinc/25/77/41/1201257741.db2.gz FOXGVTVXAIKOOO-MHORFTMASA-N 2 2 371.485 0.371 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2cccnc2)C1 ZINC001110101223 1201257750 /nfs/dbraw/zinc/25/77/50/1201257750.db2.gz FOXGVTVXAIKOOO-MHORFTMASA-N 2 2 371.485 0.371 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000793700034 1201260041 /nfs/dbraw/zinc/26/00/41/1201260041.db2.gz OBYDHXWAHWVAQF-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129433718 1201314969 /nfs/dbraw/zinc/31/49/69/1201314969.db2.gz OCFTWEDLHNESOK-SJORKVTESA-N 2 2 362.478 0.142 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129433718 1201314972 /nfs/dbraw/zinc/31/49/72/1201314972.db2.gz OCFTWEDLHNESOK-SJORKVTESA-N 2 2 362.478 0.142 20 0 FCADLP Cn1c(=O)oc2ccc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc21 ZINC001129891655 1201415533 /nfs/dbraw/zinc/41/55/33/1201415533.db2.gz QQWAKYHVIVYSHS-CHWSQXEVSA-N 2 2 355.398 0.864 20 0 FCADLP Cn1c(=O)oc2ccc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc21 ZINC001129891655 1201415538 /nfs/dbraw/zinc/41/55/38/1201415538.db2.gz QQWAKYHVIVYSHS-CHWSQXEVSA-N 2 2 355.398 0.864 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001129917550 1201427702 /nfs/dbraw/zinc/42/77/02/1201427702.db2.gz WKDNFJBVWAZREZ-OIISXLGYSA-N 2 2 357.462 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001219894086 1224672655 /nfs/dbraw/zinc/67/26/55/1224672655.db2.gz URGVAEZUJMLCHY-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001219894086 1224672660 /nfs/dbraw/zinc/67/26/60/1224672660.db2.gz URGVAEZUJMLCHY-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001086626306 1201447421 /nfs/dbraw/zinc/44/74/21/1201447421.db2.gz GPKWAGMPNCCMJB-RCCFBDPRSA-N 2 2 367.453 0.698 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001086626306 1201447424 /nfs/dbraw/zinc/44/74/24/1201447424.db2.gz GPKWAGMPNCCMJB-RCCFBDPRSA-N 2 2 367.453 0.698 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001129952328 1201448449 /nfs/dbraw/zinc/44/84/49/1201448449.db2.gz PAXMSKIPFGHPDE-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902800 1224675608 /nfs/dbraw/zinc/67/56/08/1224675608.db2.gz JYORSHCKZAXOSO-CVEARBPZSA-N 2 2 370.538 0.527 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902800 1224675610 /nfs/dbraw/zinc/67/56/10/1224675610.db2.gz JYORSHCKZAXOSO-CVEARBPZSA-N 2 2 370.538 0.527 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219902800 1224675613 /nfs/dbraw/zinc/67/56/13/1224675613.db2.gz JYORSHCKZAXOSO-CVEARBPZSA-N 2 2 370.538 0.527 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219902800 1224675616 /nfs/dbraw/zinc/67/56/16/1224675616.db2.gz JYORSHCKZAXOSO-CVEARBPZSA-N 2 2 370.538 0.527 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012222 1201471385 /nfs/dbraw/zinc/47/13/85/1201471385.db2.gz VYNUQORXBLNYAG-ANQUJSFKSA-N 2 2 373.461 0.193 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902915 1224676134 /nfs/dbraw/zinc/67/61/34/1224676134.db2.gz OEDOVEMVRLZGLD-ILXRZTDVSA-N 2 2 368.522 0.277 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902915 1224676136 /nfs/dbraw/zinc/67/61/36/1224676136.db2.gz OEDOVEMVRLZGLD-ILXRZTDVSA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902915 1224676140 /nfs/dbraw/zinc/67/61/40/1224676140.db2.gz OEDOVEMVRLZGLD-ILXRZTDVSA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@@H]1O ZINC001219902915 1224676144 /nfs/dbraw/zinc/67/61/44/1224676144.db2.gz OEDOVEMVRLZGLD-ILXRZTDVSA-N 2 2 368.522 0.277 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107753 1201503019 /nfs/dbraw/zinc/50/30/19/1201503019.db2.gz ZTNZAARNJWSTKX-MAZHCROVSA-N 2 2 361.450 0.055 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001219908637 1224678151 /nfs/dbraw/zinc/67/81/51/1224678151.db2.gz MXMYGQDGFSPCLQ-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001219908637 1224678154 /nfs/dbraw/zinc/67/81/54/1224678154.db2.gz MXMYGQDGFSPCLQ-JQHSSLGASA-N 2 2 362.474 0.424 20 0 FCADLP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130151460 1201517563 /nfs/dbraw/zinc/51/75/63/1201517563.db2.gz RPGDQDHJWQSTIW-CVEARBPZSA-N 2 2 361.450 0.331 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001219908464 1224678597 /nfs/dbraw/zinc/67/85/97/1224678597.db2.gz HERCBBFQPKJSTO-CVEARBPZSA-N 2 2 363.506 0.539 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001219908464 1224678600 /nfs/dbraw/zinc/67/86/00/1224678600.db2.gz HERCBBFQPKJSTO-CVEARBPZSA-N 2 2 363.506 0.539 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001219908464 1224678605 /nfs/dbraw/zinc/67/86/05/1224678605.db2.gz HERCBBFQPKJSTO-CVEARBPZSA-N 2 2 363.506 0.539 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@@H]1O ZINC001219908464 1224678608 /nfs/dbraw/zinc/67/86/08/1224678608.db2.gz HERCBBFQPKJSTO-CVEARBPZSA-N 2 2 363.506 0.539 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130158344 1201519449 /nfs/dbraw/zinc/51/94/49/1201519449.db2.gz DOIBDZAAUYZYOQ-XHSDSOJGSA-N 2 2 361.450 0.331 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ncnn2-c2ccccc2)O1 ZINC001130182615 1201534670 /nfs/dbraw/zinc/53/46/70/1201534670.db2.gz PLBZGSJJYRQYEP-GDBMZVCRSA-N 2 2 358.446 0.192 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ncnn2-c2ccccc2)O1 ZINC001130182615 1201534676 /nfs/dbraw/zinc/53/46/76/1201534676.db2.gz PLBZGSJJYRQYEP-GDBMZVCRSA-N 2 2 358.446 0.192 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C2CC2)[NH+](C)C)n[nH]1 ZINC001130221180 1201550406 /nfs/dbraw/zinc/55/04/06/1201550406.db2.gz YKLCGXVDDNLYLJ-DZKIICNBSA-N 2 2 364.494 0.633 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922727 1224682280 /nfs/dbraw/zinc/68/22/80/1224682280.db2.gz DESTZJHHCVAGGQ-BMFZPTHFSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922727 1224682284 /nfs/dbraw/zinc/68/22/84/1224682284.db2.gz DESTZJHHCVAGGQ-BMFZPTHFSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922727 1224682287 /nfs/dbraw/zinc/68/22/87/1224682287.db2.gz DESTZJHHCVAGGQ-BMFZPTHFSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922727 1224682290 /nfs/dbraw/zinc/68/22/90/1224682290.db2.gz DESTZJHHCVAGGQ-BMFZPTHFSA-N 2 2 368.522 0.277 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001219922816 1224682711 /nfs/dbraw/zinc/68/27/11/1224682711.db2.gz IMPBOYMNXHLWLH-CABCVRRESA-N 2 2 368.384 0.699 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)ccc2c[nH+]cn21 ZINC001219922816 1224682715 /nfs/dbraw/zinc/68/27/15/1224682715.db2.gz IMPBOYMNXHLWLH-CABCVRRESA-N 2 2 368.384 0.699 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978224 1224711009 /nfs/dbraw/zinc/71/10/09/1224711009.db2.gz HGMSSGOUUYPJNY-SJORKVTESA-N 2 2 356.470 0.766 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1)N1CCc2ccccc21 ZINC001219978224 1224711012 /nfs/dbraw/zinc/71/10/12/1224711012.db2.gz HGMSSGOUUYPJNY-SJORKVTESA-N 2 2 356.470 0.766 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]Cc2cnon2)c1 ZINC001130656331 1202748457 /nfs/dbraw/zinc/74/84/57/1202748457.db2.gz FKVYSKADQNJMOK-GOEBONIOSA-N 2 2 361.450 0.229 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712877 1202759862 /nfs/dbraw/zinc/75/98/62/1202759862.db2.gz PYWQESBQKLYHOM-UKPHBRMFSA-N 2 2 360.462 0.315 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2)cc(C)[nH+]1 ZINC001090493560 1202775062 /nfs/dbraw/zinc/77/50/62/1202775062.db2.gz UEUPOGDQWDVTRP-RRFJBIMHSA-N 2 2 367.469 0.693 20 0 FCADLP Cn1nccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074044 1224746057 /nfs/dbraw/zinc/74/60/57/1224746057.db2.gz VHLXOVGAICRWNH-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1nccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074044 1224746060 /nfs/dbraw/zinc/74/60/60/1224746060.db2.gz VHLXOVGAICRWNH-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP Cn1nccc1C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074044 1224746064 /nfs/dbraw/zinc/74/60/64/1224746064.db2.gz VHLXOVGAICRWNH-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CCn3cc[nH+]c3)n2)O1 ZINC001130794543 1202796015 /nfs/dbraw/zinc/79/60/15/1202796015.db2.gz YWIPLROHVSUXGT-UONOGXRCSA-N 2 2 361.450 0.926 20 0 FCADLP Cn1nccc1C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074044 1224746069 /nfs/dbraw/zinc/74/60/69/1224746069.db2.gz VHLXOVGAICRWNH-MSOLQXFVSA-N 2 2 363.506 0.736 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1)[NH+](C)C ZINC001130790427 1202799267 /nfs/dbraw/zinc/79/92/67/1202799267.db2.gz ZKIRZJGUSLTPPB-BFHYXJOUSA-N 2 2 370.473 0.930 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130819874 1202809154 /nfs/dbraw/zinc/80/91/54/1202809154.db2.gz ITADTWZOGHBTDK-LSDHHAIUSA-N 2 2 364.494 0.981 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130819874 1202809158 /nfs/dbraw/zinc/80/91/58/1202809158.db2.gz ITADTWZOGHBTDK-LSDHHAIUSA-N 2 2 364.494 0.981 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130819715 1202809167 /nfs/dbraw/zinc/80/91/67/1202809167.db2.gz FQGOLGNPOKFOST-QWHCGFSZSA-N 2 2 365.413 0.487 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1ncccn1 ZINC001131062093 1202854263 /nfs/dbraw/zinc/85/42/63/1202854263.db2.gz VPWORIKSEOTDJJ-HUUCEWRRSA-N 2 2 357.462 0.246 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117787 1202864993 /nfs/dbraw/zinc/86/49/93/1202864993.db2.gz RYLAVFGGTFCODX-XNRPHZJLSA-N 2 2 360.462 0.613 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001131127859 1202867881 /nfs/dbraw/zinc/86/78/81/1202867881.db2.gz IMWAGEXORNWIMI-HZPDHXFCSA-N 2 2 371.489 0.635 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001131127859 1202867882 /nfs/dbraw/zinc/86/78/82/1202867882.db2.gz IMWAGEXORNWIMI-HZPDHXFCSA-N 2 2 371.489 0.635 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001170542322 1202871844 /nfs/dbraw/zinc/87/18/44/1202871844.db2.gz IMOHXVMROPWQQN-CHWSQXEVSA-N 2 2 364.446 0.666 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001170542322 1202871847 /nfs/dbraw/zinc/87/18/47/1202871847.db2.gz IMOHXVMROPWQQN-CHWSQXEVSA-N 2 2 364.446 0.666 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103083 1202872707 /nfs/dbraw/zinc/87/27/07/1202872707.db2.gz CRCDEAOKSLSTQQ-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103083 1202872708 /nfs/dbraw/zinc/87/27/08/1202872708.db2.gz CRCDEAOKSLSTQQ-PMPSAXMXSA-N 2 2 363.462 0.066 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664834 1202886634 /nfs/dbraw/zinc/88/66/34/1202886634.db2.gz GGIXDZZZNPONLZ-ARFHVFGLSA-N 2 2 364.494 0.393 20 0 FCADLP CCCn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664834 1202886635 /nfs/dbraw/zinc/88/66/35/1202886635.db2.gz GGIXDZZZNPONLZ-ARFHVFGLSA-N 2 2 364.494 0.393 20 0 FCADLP CC(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086664736 1202886721 /nfs/dbraw/zinc/88/67/21/1202886721.db2.gz BWVXXRYRJBVRSG-RRFJBIMHSA-N 2 2 365.478 0.898 20 0 FCADLP CC(C)c1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086664736 1202886723 /nfs/dbraw/zinc/88/67/23/1202886723.db2.gz BWVXXRYRJBVRSG-RRFJBIMHSA-N 2 2 365.478 0.898 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001131491293 1202902516 /nfs/dbraw/zinc/90/25/16/1202902516.db2.gz WBJMXTXYEQKYDA-KDOFPFPSSA-N 2 2 363.462 0.074 20 0 FCADLP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131593022 1202917224 /nfs/dbraw/zinc/91/72/24/1202917224.db2.gz ILRXZCPUDDWJAV-MJGOQNOKSA-N 2 2 364.490 0.985 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131600033 1202919564 /nfs/dbraw/zinc/91/95/64/1202919564.db2.gz UPWBODJXSMLFPS-MJGOQNOKSA-N 2 2 364.490 0.721 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103459 1203003200 /nfs/dbraw/zinc/00/32/00/1203003200.db2.gz VOLWKJNQMXIIAC-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103459 1203003206 /nfs/dbraw/zinc/00/32/06/1203003206.db2.gz VOLWKJNQMXIIAC-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccco1 ZINC001134042897 1203010962 /nfs/dbraw/zinc/01/09/62/1203010962.db2.gz MZHPHFPQZHGKLL-MGPQQGTHSA-N 2 2 359.430 0.700 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737728 1203062302 /nfs/dbraw/zinc/06/23/02/1203062302.db2.gz VGDDOOKNHLOXRJ-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)c2c([nH+]1)CCCC2 ZINC001090522988 1203062931 /nfs/dbraw/zinc/06/29/31/1203062931.db2.gz WLJHPVWEPJDVFZ-IAGOWNOFSA-N 2 2 361.490 0.671 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220103645 1224763746 /nfs/dbraw/zinc/76/37/46/1224763746.db2.gz AKSWNCOLEPPGOO-KSZLIROESA-N 2 2 358.442 0.038 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220103645 1224763753 /nfs/dbraw/zinc/76/37/53/1224763753.db2.gz AKSWNCOLEPPGOO-KSZLIROESA-N 2 2 358.442 0.038 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001086806594 1203106630 /nfs/dbraw/zinc/10/66/30/1203106630.db2.gz CSOBOAORSUDRIH-SJXGUFTOSA-N 2 2 357.462 0.727 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086820075 1203136933 /nfs/dbraw/zinc/13/69/33/1203136933.db2.gz OWFFPTLDWQHCDC-ARFHVFGLSA-N 2 2 363.510 0.848 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001086820075 1203136938 /nfs/dbraw/zinc/13/69/38/1203136938.db2.gz OWFFPTLDWQHCDC-ARFHVFGLSA-N 2 2 363.510 0.848 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(CC4(C[NH3+])CC4)n3)cn2)CC1 ZINC000822973642 1203243207 /nfs/dbraw/zinc/24/32/07/1203243207.db2.gz XTNKFTGOGNTJMJ-UHFFFAOYSA-N 2 2 356.430 0.801 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncn1C ZINC001110107337 1203274577 /nfs/dbraw/zinc/27/45/77/1203274577.db2.gz DOQMDBHQSJURSI-MVJTYMMSSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncn1C ZINC001110107337 1203274580 /nfs/dbraw/zinc/27/45/80/1203274580.db2.gz DOQMDBHQSJURSI-MVJTYMMSSA-N 2 2 361.490 0.610 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1C ZINC001090745171 1203280444 /nfs/dbraw/zinc/28/04/44/1203280444.db2.gz WDPQBMWHPSXUKW-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1C ZINC001090745171 1203280447 /nfs/dbraw/zinc/28/04/47/1203280447.db2.gz WDPQBMWHPSXUKW-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001090745171 1203280451 /nfs/dbraw/zinc/28/04/51/1203280451.db2.gz WDPQBMWHPSXUKW-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001090745171 1203280456 /nfs/dbraw/zinc/28/04/56/1203280456.db2.gz WDPQBMWHPSXUKW-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+][C@@H](C)C(N)=O)cc1 ZINC001090884771 1203331487 /nfs/dbraw/zinc/33/14/87/1203331487.db2.gz JSMMKUZMQQQNDP-VBNZEHGJSA-N 2 2 371.441 0.419 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001220261020 1224815682 /nfs/dbraw/zinc/81/56/82/1224815682.db2.gz OMQAUJDKLZOGBU-IBGZPJMESA-N 3 2 365.566 0.898 20 0 FCADLP CN(C)C(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220273964 1224818580 /nfs/dbraw/zinc/81/85/80/1224818580.db2.gz YEKTVLXNGZGKBI-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP CN(C)C(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001220273964 1224818583 /nfs/dbraw/zinc/81/85/83/1224818583.db2.gz YEKTVLXNGZGKBI-SJORKVTESA-N 2 2 362.474 0.001 20 0 FCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220274718 1224818602 /nfs/dbraw/zinc/81/86/02/1224818602.db2.gz OHGOXOUMWRVWBE-QGZVFWFLSA-N 2 2 374.441 0.997 20 0 FCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273812 1224818924 /nfs/dbraw/zinc/81/89/24/1224818924.db2.gz UDWBLFWKFGNLNE-UAGQMJEPSA-N 2 2 362.474 0.151 20 0 FCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273812 1224818929 /nfs/dbraw/zinc/81/89/29/1224818929.db2.gz UDWBLFWKFGNLNE-UAGQMJEPSA-N 2 2 362.474 0.151 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)C(=O)OCc1ccccc1 ZINC001220315363 1224825966 /nfs/dbraw/zinc/82/59/66/1224825966.db2.gz BSWLOAFISRFYMA-GPMSIDNRSA-N 2 2 361.442 0.475 20 0 FCADLP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(O)cn1)CC2 ZINC001144259857 1204441845 /nfs/dbraw/zinc/44/18/45/1204441845.db2.gz SOGSAGFHVHFSIM-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3ccc(O)cn3)CC2)C1=O ZINC001144259857 1204441847 /nfs/dbraw/zinc/44/18/47/1204441847.db2.gz SOGSAGFHVHFSIM-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3ccc(O)cn3)CC2)C1=O ZINC001144259857 1204441851 /nfs/dbraw/zinc/44/18/51/1204441851.db2.gz SOGSAGFHVHFSIM-UHFFFAOYSA-N 2 2 361.490 0.457 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000845038626 1204460033 /nfs/dbraw/zinc/46/00/33/1204460033.db2.gz ZOHIDAMXTLGOQO-GOSISDBHSA-N 2 2 370.538 0.955 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000845038626 1204460040 /nfs/dbraw/zinc/46/00/40/1204460040.db2.gz ZOHIDAMXTLGOQO-GOSISDBHSA-N 2 2 370.538 0.955 20 0 FCADLP O=C(NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001091080569 1204494133 /nfs/dbraw/zinc/49/41/33/1204494133.db2.gz HJODWXXHMGNKEN-NWINJMCUSA-N 2 2 359.430 0.147 20 0 FCADLP O=C(NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001091080569 1204494138 /nfs/dbraw/zinc/49/41/38/1204494138.db2.gz HJODWXXHMGNKEN-NWINJMCUSA-N 2 2 359.430 0.147 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440559 1204500987 /nfs/dbraw/zinc/50/09/87/1204500987.db2.gz LLEJRGLLUVELDD-CABCVRRESA-N 2 2 372.510 0.668 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845440559 1204500988 /nfs/dbraw/zinc/50/09/88/1204500988.db2.gz LLEJRGLLUVELDD-CABCVRRESA-N 2 2 372.510 0.668 20 0 FCADLP CC(C)c1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091096046 1204513522 /nfs/dbraw/zinc/51/35/22/1204513522.db2.gz KMBHWNPXYAIEOP-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1nnc(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001091096046 1204513525 /nfs/dbraw/zinc/51/35/25/1204513525.db2.gz KMBHWNPXYAIEOP-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001091124516 1204526126 /nfs/dbraw/zinc/52/61/26/1204526126.db2.gz QIURPWQIIQKTOR-CABCVRRESA-N 2 2 365.478 0.152 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001091240096 1204630628 /nfs/dbraw/zinc/63/06/28/1204630628.db2.gz SQJVVRDCBNANOK-BHUNQDJPSA-N 2 2 369.469 0.907 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC001091239899 1204630700 /nfs/dbraw/zinc/63/07/00/1204630700.db2.gz PDRVUVXAOILICO-QDIHITRGSA-N 2 2 359.474 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220382988 1224851350 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1204815496 /nfs/dbraw/zinc/81/54/96/1204815496.db2.gz WPEYMVJUIUCSEW-OHNRDTAOSA-N 2 2 355.442 0.910 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387805 1224853186 /nfs/dbraw/zinc/85/31/86/1224853186.db2.gz QYPKNFVRXVDOGT-BMFZPTHFSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387805 1224853190 /nfs/dbraw/zinc/85/31/90/1224853190.db2.gz QYPKNFVRXVDOGT-BMFZPTHFSA-N 2 2 366.462 0.145 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001091737714 1204837648 /nfs/dbraw/zinc/83/76/48/1204837648.db2.gz IIGRBPJXNKZKKM-AYBZRNKSSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)nn1 ZINC001091737714 1204837649 /nfs/dbraw/zinc/83/76/49/1204837649.db2.gz IIGRBPJXNKZKKM-AYBZRNKSSA-N 2 2 360.506 0.919 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148654968 1204837860 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/nfs/dbraw/zinc/11/54/80/1205115480.db2.gz NAANFPHUACUOKB-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015298 1205115481 /nfs/dbraw/zinc/11/54/81/1205115481.db2.gz NAANFPHUACUOKB-BEFAXECRSA-N 2 2 360.506 0.827 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)CCN1c1[nH+]cnc2c1cnn2C ZINC001092021686 1205119044 /nfs/dbraw/zinc/11/90/44/1205119044.db2.gz OVHFOSHZUADJDD-BYCMXARLSA-N 2 2 357.462 0.787 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]3(C)C2)n1C ZINC001092022307 1205119361 /nfs/dbraw/zinc/11/93/61/1205119361.db2.gz RWTSMKNPXAWQCP-VCBZYWHSSA-N 2 2 362.522 0.998 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]3(C)C2)n1C ZINC001092022307 1205119365 /nfs/dbraw/zinc/11/93/65/1205119365.db2.gz RWTSMKNPXAWQCP-VCBZYWHSSA-N 2 2 362.522 0.998 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050234 1205125219 /nfs/dbraw/zinc/12/52/19/1205125219.db2.gz OQFQQIKUTLPAHE-ALKREAHSSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001092050234 1205125222 /nfs/dbraw/zinc/12/52/22/1205125222.db2.gz OQFQQIKUTLPAHE-ALKREAHSSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092195497 1205190819 /nfs/dbraw/zinc/19/08/19/1205190819.db2.gz QRHLDZLWGHVVOE-LPMFXHHGSA-N 2 2 368.441 0.535 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092195497 1205190821 /nfs/dbraw/zinc/19/08/21/1205190821.db2.gz QRHLDZLWGHVVOE-LPMFXHHGSA-N 2 2 368.441 0.535 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441518 1224873653 /nfs/dbraw/zinc/87/36/53/1224873653.db2.gz FJTZDGKCVMGUSK-OLMNPRSZSA-N 2 2 358.442 0.688 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441518 1224873660 /nfs/dbraw/zinc/87/36/60/1224873660.db2.gz FJTZDGKCVMGUSK-OLMNPRSZSA-N 2 2 358.442 0.688 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)n1 ZINC001092198903 1205195288 /nfs/dbraw/zinc/19/52/88/1205195288.db2.gz AUHJNUWPCOXWQA-KUHUBIRLSA-N 2 2 370.457 0.742 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)n1 ZINC001092198903 1205195293 /nfs/dbraw/zinc/19/52/93/1205195293.db2.gz AUHJNUWPCOXWQA-KUHUBIRLSA-N 2 2 370.457 0.742 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092199776 1205195328 /nfs/dbraw/zinc/19/53/28/1205195328.db2.gz PCPVJGPPNGXPEJ-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@]2(C)C1 ZINC001092199776 1205195332 /nfs/dbraw/zinc/19/53/32/1205195332.db2.gz PCPVJGPPNGXPEJ-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092242243 1205210287 /nfs/dbraw/zinc/21/02/87/1205210287.db2.gz IRSFQKKDDOBVAC-OGWOLHLISA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092242243 1205210290 /nfs/dbraw/zinc/21/02/90/1205210290.db2.gz IRSFQKKDDOBVAC-OGWOLHLISA-N 2 2 359.474 0.412 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001092278617 1205224948 /nfs/dbraw/zinc/22/49/48/1205224948.db2.gz UHXJOKOZGFZVHX-QEORTHHSSA-N 2 2 358.450 0.257 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001092278617 1205224954 /nfs/dbraw/zinc/22/49/54/1205224954.db2.gz UHXJOKOZGFZVHX-QEORTHHSSA-N 2 2 358.450 0.257 20 0 FCADLP COc1ccccc1C1(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001220445744 1224875342 /nfs/dbraw/zinc/87/53/42/1224875342.db2.gz SCFIJIGCBJNIKR-QRWLVFNGSA-N 2 2 359.470 0.811 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300488 1205233299 /nfs/dbraw/zinc/23/32/99/1205233299.db2.gz XJLHLYPUJQTATE-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092300488 1205233302 /nfs/dbraw/zinc/23/33/02/1205233302.db2.gz XJLHLYPUJQTATE-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cc1ccc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2c[nH+]cn2C)nn1 ZINC001092314802 1205244068 /nfs/dbraw/zinc/24/40/68/1205244068.db2.gz SRJQREYKRMSYSF-HUUCEWRRSA-N 2 2 357.462 0.877 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092319248 1205247819 /nfs/dbraw/zinc/24/78/19/1205247819.db2.gz MWIGZDZYVMHJIL-RKVPGOIHSA-N 2 2 355.446 0.442 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092319248 1205247827 /nfs/dbraw/zinc/24/78/27/1205247827.db2.gz MWIGZDZYVMHJIL-RKVPGOIHSA-N 2 2 355.446 0.442 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286746 1205251928 /nfs/dbraw/zinc/25/19/28/1205251928.db2.gz KPBNLFABLYKEGV-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286746 1205251935 /nfs/dbraw/zinc/25/19/35/1205251935.db2.gz KPBNLFABLYKEGV-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286746 1205251940 /nfs/dbraw/zinc/25/19/40/1205251940.db2.gz KPBNLFABLYKEGV-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4nocc4C)C[C@@]3(C)C2)C1 ZINC001092286746 1205251946 /nfs/dbraw/zinc/25/19/46/1205251946.db2.gz KPBNLFABLYKEGV-AYBZRNKSSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001092295458 1205258455 /nfs/dbraw/zinc/25/84/55/1205258455.db2.gz FPGYWWHIFVLIIG-IFXJQAMLSA-N 2 2 371.489 0.990 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001092295458 1205258458 /nfs/dbraw/zinc/25/84/58/1205258458.db2.gz FPGYWWHIFVLIIG-IFXJQAMLSA-N 2 2 371.489 0.990 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220442093 1224873457 /nfs/dbraw/zinc/87/34/57/1224873457.db2.gz XLHCVDCISONYJI-CFVMTHIKSA-N 2 2 362.434 0.320 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001220442093 1224873463 /nfs/dbraw/zinc/87/34/63/1224873463.db2.gz XLHCVDCISONYJI-CFVMTHIKSA-N 2 2 362.434 0.320 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675421 1205336616 /nfs/dbraw/zinc/33/66/16/1205336616.db2.gz GCWGCDXPNCGYPQ-KFWWJZLASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001092675421 1205336618 /nfs/dbraw/zinc/33/66/18/1205336618.db2.gz GCWGCDXPNCGYPQ-KFWWJZLASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753310 1205351527 /nfs/dbraw/zinc/35/15/27/1205351527.db2.gz GCKQCZRYVJSCIB-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753310 1205351533 /nfs/dbraw/zinc/35/15/33/1205351533.db2.gz GCKQCZRYVJSCIB-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478513 1224885817 /nfs/dbraw/zinc/88/58/17/1224885817.db2.gz ARDPSGMKZBHLIA-UAGQMJEPSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478513 1224885819 /nfs/dbraw/zinc/88/58/19/1224885819.db2.gz ARDPSGMKZBHLIA-UAGQMJEPSA-N 2 2 368.522 0.135 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479001 1224886926 /nfs/dbraw/zinc/88/69/26/1224886926.db2.gz TYLSOTIROUUCNR-OIISXLGYSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479001 1224886929 /nfs/dbraw/zinc/88/69/29/1224886929.db2.gz TYLSOTIROUUCNR-OIISXLGYSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479002 1224887076 /nfs/dbraw/zinc/88/70/76/1224887076.db2.gz TYLSOTIROUUCNR-UAGQMJEPSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479002 1224887077 /nfs/dbraw/zinc/88/70/77/1224887077.db2.gz TYLSOTIROUUCNR-UAGQMJEPSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911542 1205940787 /nfs/dbraw/zinc/94/07/87/1205940787.db2.gz TUDCHTSWXBVHPJ-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911542 1205940788 /nfs/dbraw/zinc/94/07/88/1205940788.db2.gz TUDCHTSWXBVHPJ-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911542 1205940789 /nfs/dbraw/zinc/94/07/89/1205940789.db2.gz TUDCHTSWXBVHPJ-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911542 1205940790 /nfs/dbraw/zinc/94/07/90/1205940790.db2.gz TUDCHTSWXBVHPJ-INMHGKMJSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911540 1205941149 /nfs/dbraw/zinc/94/11/49/1205941149.db2.gz TUDCHTSWXBVHPJ-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911540 1205941151 /nfs/dbraw/zinc/94/11/51/1205941151.db2.gz TUDCHTSWXBVHPJ-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911540 1205941156 /nfs/dbraw/zinc/94/11/56/1205941156.db2.gz TUDCHTSWXBVHPJ-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]2C)C1 ZINC001092911540 1205941163 /nfs/dbraw/zinc/94/11/63/1205941163.db2.gz TUDCHTSWXBVHPJ-BFYDXBDKSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910989 1205941297 /nfs/dbraw/zinc/94/12/97/1205941297.db2.gz MMQWDCDXHVNIRS-BRWVUGGUSA-N 2 2 361.490 0.770 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910989 1205941303 /nfs/dbraw/zinc/94/13/03/1205941303.db2.gz MMQWDCDXHVNIRS-BRWVUGGUSA-N 2 2 361.490 0.770 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910989 1205941306 /nfs/dbraw/zinc/94/13/06/1205941306.db2.gz MMQWDCDXHVNIRS-BRWVUGGUSA-N 2 2 361.490 0.770 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncccn3)C[C@H]2C)C1 ZINC001092910989 1205941312 /nfs/dbraw/zinc/94/13/12/1205941312.db2.gz MMQWDCDXHVNIRS-BRWVUGGUSA-N 2 2 361.490 0.770 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978172 1205964978 /nfs/dbraw/zinc/96/49/78/1205964978.db2.gz CJXLBRRXJQYRQE-QBPKDAKJSA-N 2 2 373.501 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001092978172 1205964983 /nfs/dbraw/zinc/96/49/83/1205964983.db2.gz CJXLBRRXJQYRQE-QBPKDAKJSA-N 2 2 373.501 0.830 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550139 1224923279 /nfs/dbraw/zinc/92/32/79/1224923279.db2.gz JYNLSQDGVFXSCD-IMJJTQAJSA-N 2 2 365.478 0.048 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550139 1224923283 /nfs/dbraw/zinc/92/32/83/1224923283.db2.gz JYNLSQDGVFXSCD-IMJJTQAJSA-N 2 2 365.478 0.048 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125185 1206028788 /nfs/dbraw/zinc/02/87/88/1206028788.db2.gz FZRMZPWMZACKJA-CPUCHLNUSA-N 2 2 370.457 0.829 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125185 1206028792 /nfs/dbraw/zinc/02/87/92/1206028792.db2.gz FZRMZPWMZACKJA-CPUCHLNUSA-N 2 2 370.457 0.829 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125141 1206029213 /nfs/dbraw/zinc/02/92/13/1206029213.db2.gz CYZUSGRIFIJQDK-QLFBSQMISA-N 2 2 370.457 0.700 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125141 1206029218 /nfs/dbraw/zinc/02/92/18/1206029218.db2.gz CYZUSGRIFIJQDK-QLFBSQMISA-N 2 2 370.457 0.700 20 0 FCADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553191 1224924967 /nfs/dbraw/zinc/92/49/67/1224924967.db2.gz CBAYCURWLCJHSX-OLMNPRSZSA-N 2 2 365.449 0.770 20 0 FCADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553191 1224924972 /nfs/dbraw/zinc/92/49/72/1224924972.db2.gz CBAYCURWLCJHSX-OLMNPRSZSA-N 2 2 365.449 0.770 20 0 FCADLP CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690679 1206101402 /nfs/dbraw/zinc/10/14/02/1206101402.db2.gz BUAYVIKJVCCSGT-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690679 1206101405 /nfs/dbraw/zinc/10/14/05/1206101405.db2.gz BUAYVIKJVCCSGT-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001093690674 1206101414 /nfs/dbraw/zinc/10/14/14/1206101414.db2.gz BSVINHJZWBWKAH-BPLDGKMQSA-N 2 2 362.478 0.197 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001093690674 1206101416 /nfs/dbraw/zinc/10/14/16/1206101416.db2.gz BSVINHJZWBWKAH-BPLDGKMQSA-N 2 2 362.478 0.197 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccn1C(F)F ZINC001093689987 1206101437 /nfs/dbraw/zinc/10/14/37/1206101437.db2.gz FWTKUNNDVIMKEO-MGPQQGTHSA-N 2 2 371.432 0.793 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nccn1C(F)F ZINC001093689987 1206101439 /nfs/dbraw/zinc/10/14/39/1206101439.db2.gz FWTKUNNDVIMKEO-MGPQQGTHSA-N 2 2 371.432 0.793 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH2+][C@H]4CCNC4=O)[C@H](C)C3)ccn12 ZINC001093770369 1206112621 /nfs/dbraw/zinc/11/26/21/1206112621.db2.gz MIMVGMRKKBRBOK-WQVCFCJDSA-N 2 2 355.442 0.829 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)n1 ZINC001093742530 1206113965 /nfs/dbraw/zinc/11/39/65/1206113965.db2.gz ALCDXZMQHSPAPU-CHWSQXEVSA-N 2 2 362.434 0.756 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857555 1206135525 /nfs/dbraw/zinc/13/55/25/1206135525.db2.gz KXSBAJADAICXNQ-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001093857555 1206135529 /nfs/dbraw/zinc/13/55/29/1206135529.db2.gz KXSBAJADAICXNQ-KBUPBQIOSA-N 2 2 365.478 0.535 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001093871445 1206138424 /nfs/dbraw/zinc/13/84/24/1206138424.db2.gz LOHZNDNSQJNAOA-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001093871262 1206138450 /nfs/dbraw/zinc/13/84/50/1206138450.db2.gz HZRDRGZCXWTLAC-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093872727 1206138983 /nfs/dbraw/zinc/13/89/83/1206138983.db2.gz AIJKSXOMLPQOJF-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C)[nH]1 ZINC001093872993 1206139243 /nfs/dbraw/zinc/13/92/43/1206139243.db2.gz FEHUQJIKZRMFPR-BPLDGKMQSA-N 2 2 357.462 0.756 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001093874088 1206139771 /nfs/dbraw/zinc/13/97/71/1206139771.db2.gz XDRCQRDIXAIICC-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)C2 ZINC001093875398 1206139843 /nfs/dbraw/zinc/13/98/43/1206139843.db2.gz QDGIQHDFNGUGDU-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cn(C)nn3)[C@H](C)C1)CC2 ZINC001093875398 1206139848 /nfs/dbraw/zinc/13/98/48/1206139848.db2.gz QDGIQHDFNGUGDU-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)n1 ZINC001093921541 1206149940 /nfs/dbraw/zinc/14/99/40/1206149940.db2.gz VNBPQKYNEWFARH-TZMCWYRMSA-N 2 2 362.434 0.605 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)c1nnnn1C ZINC001093934303 1206161569 /nfs/dbraw/zinc/16/15/69/1206161569.db2.gz KWGRJFAAUBPSEW-MGPQQGTHSA-N 2 2 360.466 0.322 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001094056159 1206177538 /nfs/dbraw/zinc/17/75/38/1206177538.db2.gz PFJGJISEZIKFBV-RRCSTGOVSA-N 2 2 357.462 0.536 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nc(C2CC2)nn1C ZINC001094074802 1206179496 /nfs/dbraw/zinc/17/94/96/1206179496.db2.gz LWEOAKWZGSZDFN-TZMCWYRMSA-N 2 2 357.462 0.842 20 0 FCADLP COCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001094071771 1206179913 /nfs/dbraw/zinc/17/99/13/1206179913.db2.gz BRSLHAJOJBOKQT-CHWSQXEVSA-N 2 2 362.434 0.408 20 0 FCADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001094166651 1206197923 /nfs/dbraw/zinc/19/79/23/1206197923.db2.gz JIBXXUWFZJWGNH-UKRRQHHQSA-N 2 2 359.478 0.767 20 0 FCADLP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001094167076 1206198491 /nfs/dbraw/zinc/19/84/91/1206198491.db2.gz VJGMFZABWJCYJF-ZIAGYGMSSA-N 2 2 358.446 0.646 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCc2ncnn21 ZINC001094196197 1206206172 /nfs/dbraw/zinc/20/61/72/1206206172.db2.gz AXTREAVJJJSGSF-BFYDXBDKSA-N 2 2 371.489 0.816 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C)o1 ZINC001094233956 1206209012 /nfs/dbraw/zinc/20/90/12/1206209012.db2.gz AOTUCJXGNHRYAP-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C)o1 ZINC001094233956 1206209014 /nfs/dbraw/zinc/20/90/14/1206209014.db2.gz AOTUCJXGNHRYAP-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001220568554 1224936396 /nfs/dbraw/zinc/93/63/96/1224936396.db2.gz RVSYKUMMLHZMOO-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001220568554 1224936405 /nfs/dbraw/zinc/93/64/05/1224936405.db2.gz RVSYKUMMLHZMOO-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220568554 1224936412 /nfs/dbraw/zinc/93/64/12/1224936412.db2.gz RVSYKUMMLHZMOO-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220568554 1224936420 /nfs/dbraw/zinc/93/64/20/1224936420.db2.gz RVSYKUMMLHZMOO-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160588 1206242647 /nfs/dbraw/zinc/24/26/47/1206242647.db2.gz WGGSFRCAJVUQIE-XGUBFFRZSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160588 1206242650 /nfs/dbraw/zinc/24/26/50/1206242650.db2.gz WGGSFRCAJVUQIE-XGUBFFRZSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110160588 1206242653 /nfs/dbraw/zinc/24/26/53/1206242653.db2.gz WGGSFRCAJVUQIE-XGUBFFRZSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160588 1206242656 /nfs/dbraw/zinc/24/26/56/1206242656.db2.gz WGGSFRCAJVUQIE-XGUBFFRZSA-N 2 2 367.494 0.282 20 0 FCADLP CC(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2=O)C1 ZINC001094783113 1206246823 /nfs/dbraw/zinc/24/68/23/1206246823.db2.gz LZLWMTZVSVQANL-FVQBIDKESA-N 2 2 359.474 0.581 20 0 FCADLP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220567723 1224938249 /nfs/dbraw/zinc/93/82/49/1224938249.db2.gz KFMNIIKDXKLWRV-IAGOWNOFSA-N 2 2 356.426 0.944 20 0 FCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879265 1206253158 /nfs/dbraw/zinc/25/31/58/1206253158.db2.gz RVJMCLXKXHNPDI-KSZLIROESA-N 2 2 371.522 0.513 20 0 FCADLP CO[C@@H]1CCC[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172930495 1206264275 /nfs/dbraw/zinc/26/42/75/1206264275.db2.gz RDLKAWWFKKWBCW-OJLVUWQFSA-N 2 2 363.462 0.359 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@@H+]3CCO[C@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026845 1206265455 /nfs/dbraw/zinc/26/54/55/1206265455.db2.gz QAQZEABGBHCIJZ-DOTOQJQBSA-N 2 2 363.458 0.854 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@H+]3CCO[C@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026845 1206265457 /nfs/dbraw/zinc/26/54/57/1206265457.db2.gz QAQZEABGBHCIJZ-DOTOQJQBSA-N 2 2 363.458 0.854 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)C[C@@H]1C(=O)OC ZINC001173585633 1206283555 /nfs/dbraw/zinc/28/35/55/1206283555.db2.gz QXMMKYFIVZPQKX-OSYLJGHBSA-N 2 2 367.490 0.441 20 0 FCADLP c1cn(Cc2nnn3c2C[N@@H+]([C@@H]2CCC[C@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752211 1206287201 /nfs/dbraw/zinc/28/72/01/1206287201.db2.gz KQCTZYQFZWVJHU-CABCVRRESA-N 2 2 368.449 0.899 20 0 FCADLP c1cn(Cc2nnn3c2C[N@H+]([C@@H]2CCC[C@H](n4ncnn4)C2)CCC3)c[nH+]1 ZINC001173752211 1206287204 /nfs/dbraw/zinc/28/72/04/1206287204.db2.gz KQCTZYQFZWVJHU-CABCVRRESA-N 2 2 368.449 0.899 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001110194252 1206312522 /nfs/dbraw/zinc/31/25/22/1206312522.db2.gz YNIPTSYEXREPCX-IKGGRYGDSA-N 2 2 359.474 0.911 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001110194252 1206312524 /nfs/dbraw/zinc/31/25/24/1206312524.db2.gz YNIPTSYEXREPCX-IKGGRYGDSA-N 2 2 359.474 0.911 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088683 1206330013 /nfs/dbraw/zinc/33/00/13/1206330013.db2.gz PGTPAJVDQDOVPR-LBPRGKRZSA-N 3 2 367.454 0.306 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001177088683 1206330018 /nfs/dbraw/zinc/33/00/18/1206330018.db2.gz PGTPAJVDQDOVPR-LBPRGKRZSA-N 3 2 367.454 0.306 20 0 FCADLP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178936646 1206367542 /nfs/dbraw/zinc/36/75/42/1206367542.db2.gz OSYPYPIQYFGVMH-YJNKXOJESA-N 2 2 363.462 0.245 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001180759806 1206399085 /nfs/dbraw/zinc/39/90/85/1206399085.db2.gz RISOADRIONXJEB-YEWWUXTCSA-N 2 2 364.421 0.405 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001180759806 1206399087 /nfs/dbraw/zinc/39/90/87/1206399087.db2.gz RISOADRIONXJEB-YEWWUXTCSA-N 2 2 364.421 0.405 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001180759789 1206399091 /nfs/dbraw/zinc/39/90/91/1206399091.db2.gz RISOADRIONXJEB-DHSIGJKJSA-N 2 2 364.421 0.405 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001180759789 1206399094 /nfs/dbraw/zinc/39/90/94/1206399094.db2.gz RISOADRIONXJEB-DHSIGJKJSA-N 2 2 364.421 0.405 20 0 FCADLP C[NH+]1CCC(O)(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)CC1 ZINC001182030757 1206418980 /nfs/dbraw/zinc/41/89/80/1206418980.db2.gz GRJYEIWPPMTAEA-INIZCTEOSA-N 2 2 362.474 0.725 20 0 FCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)C4([NH+](C)C)CC4)C3)O2)CC1 ZINC001182596942 1206439071 /nfs/dbraw/zinc/43/90/71/1206439071.db2.gz LPEVTXPJMKUHTC-IEBWSBKVSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001182596942 1206439074 /nfs/dbraw/zinc/43/90/74/1206439074.db2.gz LPEVTXPJMKUHTC-IEBWSBKVSA-N 2 2 364.534 0.868 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001182669306 1206440888 /nfs/dbraw/zinc/44/08/88/1206440888.db2.gz LCYUGHYBDCYMIC-PPLBCVRQSA-N 2 2 364.490 0.605 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183372953 1206452976 /nfs/dbraw/zinc/45/29/76/1206452976.db2.gz LDCXLEBTENVFJG-YIOZNXECSA-N 2 2 367.490 0.582 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001185233028 1206475833 /nfs/dbraw/zinc/47/58/33/1206475833.db2.gz QVHFFXGWOTWQLA-SFHVURJKSA-N 2 2 369.469 0.805 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001185233028 1206475834 /nfs/dbraw/zinc/47/58/34/1206475834.db2.gz QVHFFXGWOTWQLA-SFHVURJKSA-N 2 2 369.469 0.805 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C(=O)Nc1c(OC)cccc1OC ZINC001187492182 1206526839 /nfs/dbraw/zinc/52/68/39/1206526839.db2.gz PKLJSEFSOPNWEI-UHFFFAOYSA-N 2 2 365.434 0.706 20 0 FCADLP O=C(NC1CCN(c2cnc3ccccc3n2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220622411 1224973289 /nfs/dbraw/zinc/97/32/89/1224973289.db2.gz NAWUPOQKZQNKRM-XOBRGWDASA-N 2 2 366.469 0.666 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2O)CC1 ZINC001220642672 1224983052 /nfs/dbraw/zinc/98/30/52/1224983052.db2.gz IBIMCKUPSQNJGB-MSOLQXFVSA-N 2 2 365.449 0.598 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2O)CC1 ZINC001220642672 1224983062 /nfs/dbraw/zinc/98/30/62/1224983062.db2.gz IBIMCKUPSQNJGB-MSOLQXFVSA-N 2 2 365.449 0.598 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)CC[NH2+]1 ZINC001220651605 1224989849 /nfs/dbraw/zinc/98/98/49/1224989849.db2.gz LVFDLHDPZQFZSP-GOEBONIOSA-N 2 2 360.458 0.254 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)NCc2ccccc2N2CC[NH2+]CC2)CC[NH2+]1 ZINC001220651607 1224991003 /nfs/dbraw/zinc/99/10/03/1224991003.db2.gz LVFDLHDPZQFZSP-ZBFHGGJFSA-N 2 2 360.458 0.254 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21)[NH+](C)C ZINC001188313722 1207442325 /nfs/dbraw/zinc/44/23/25/1207442325.db2.gz BIOHYTPBAWSCJJ-USXIJHARSA-N 2 2 362.474 0.769 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21)[NH+](C)C ZINC001188313722 1207442327 /nfs/dbraw/zinc/44/23/27/1207442327.db2.gz BIOHYTPBAWSCJJ-USXIJHARSA-N 2 2 362.474 0.769 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369945 1207447559 /nfs/dbraw/zinc/44/75/59/1207447559.db2.gz SWXQJXIKVZMZII-SOLBZPMBSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369945 1207447565 /nfs/dbraw/zinc/44/75/65/1207447565.db2.gz SWXQJXIKVZMZII-SOLBZPMBSA-N 2 2 362.474 0.641 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405380 1207454873 /nfs/dbraw/zinc/45/48/73/1207454873.db2.gz FYKZWNNQTOXSMB-WMLDXEAASA-N 2 2 366.462 0.546 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405380 1207454875 /nfs/dbraw/zinc/45/48/75/1207454875.db2.gz FYKZWNNQTOXSMB-WMLDXEAASA-N 2 2 366.462 0.546 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188518300 1207459733 /nfs/dbraw/zinc/45/97/33/1207459733.db2.gz QGIUEURMSSWZSS-WMLDXEAASA-N 2 2 368.441 0.550 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188518300 1207459735 /nfs/dbraw/zinc/45/97/35/1207459735.db2.gz QGIUEURMSSWZSS-WMLDXEAASA-N 2 2 368.441 0.550 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001188568316 1207463829 /nfs/dbraw/zinc/46/38/29/1207463829.db2.gz KGMJDWNJTGCSPC-DOTOQJQBSA-N 2 2 371.441 0.634 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001188568316 1207463835 /nfs/dbraw/zinc/46/38/35/1207463835.db2.gz KGMJDWNJTGCSPC-DOTOQJQBSA-N 2 2 371.441 0.634 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927760 1207487152 /nfs/dbraw/zinc/48/71/52/1207487152.db2.gz ZYMNMKXELHSFDK-BBWFWOEESA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927760 1207487154 /nfs/dbraw/zinc/48/71/54/1207487154.db2.gz ZYMNMKXELHSFDK-BBWFWOEESA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927760 1207487156 /nfs/dbraw/zinc/48/71/56/1207487156.db2.gz ZYMNMKXELHSFDK-BBWFWOEESA-N 2 2 366.506 0.153 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188927760 1207487159 /nfs/dbraw/zinc/48/71/59/1207487159.db2.gz ZYMNMKXELHSFDK-BBWFWOEESA-N 2 2 366.506 0.153 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188971182 1207493382 /nfs/dbraw/zinc/49/33/82/1207493382.db2.gz PKKFNOLYDRBESU-DOTOQJQBSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)n1 ZINC001188971182 1207493385 /nfs/dbraw/zinc/49/33/85/1207493385.db2.gz PKKFNOLYDRBESU-DOTOQJQBSA-N 2 2 360.506 0.981 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054338 1207498535 /nfs/dbraw/zinc/49/85/35/1207498535.db2.gz DOMPNWNTHGARTH-QLFBSQMISA-N 2 2 360.462 0.288 20 0 FCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054338 1207498543 /nfs/dbraw/zinc/49/85/43/1207498543.db2.gz DOMPNWNTHGARTH-QLFBSQMISA-N 2 2 360.462 0.288 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001189245869 1207524210 /nfs/dbraw/zinc/52/42/10/1207524210.db2.gz GBCXLTYAHRFIDR-VDZJLULYSA-N 2 2 370.453 0.925 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC001189245869 1207524214 /nfs/dbraw/zinc/52/42/14/1207524214.db2.gz GBCXLTYAHRFIDR-VDZJLULYSA-N 2 2 370.453 0.925 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220673690 1225005170 /nfs/dbraw/zinc/00/51/70/1225005170.db2.gz IZQXEZQKOMWNBP-DLBZAZTESA-N 2 2 354.458 0.957 20 0 FCADLP O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220673690 1225005179 /nfs/dbraw/zinc/00/51/79/1225005179.db2.gz IZQXEZQKOMWNBP-DLBZAZTESA-N 2 2 354.458 0.957 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220674529 1225006893 /nfs/dbraw/zinc/00/68/93/1225006893.db2.gz YBTRIHQZYOHJOA-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220674529 1225006904 /nfs/dbraw/zinc/00/69/04/1225006904.db2.gz YBTRIHQZYOHJOA-SJORKVTESA-N 2 2 359.430 0.469 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001190177506 1207657858 /nfs/dbraw/zinc/65/78/58/1207657858.db2.gz NPZBEWBSOPRNAH-HYVNUMGLSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001190177506 1207657864 /nfs/dbraw/zinc/65/78/64/1207657864.db2.gz NPZBEWBSOPRNAH-HYVNUMGLSA-N 2 2 361.490 0.885 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001190486311 1207688522 /nfs/dbraw/zinc/68/85/22/1207688522.db2.gz ANZWUXUTAVNFJN-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001190486311 1207688524 /nfs/dbraw/zinc/68/85/24/1207688524.db2.gz ANZWUXUTAVNFJN-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900777 1207731489 /nfs/dbraw/zinc/73/14/89/1207731489.db2.gz RYLOQPSYYNJIAZ-DJIMGWMZSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900777 1207731492 /nfs/dbraw/zinc/73/14/92/1207731492.db2.gz RYLOQPSYYNJIAZ-DJIMGWMZSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900777 1207731496 /nfs/dbraw/zinc/73/14/96/1207731496.db2.gz RYLOQPSYYNJIAZ-DJIMGWMZSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N(C)CC3CC3)C2)O1 ZINC001190900777 1207731502 /nfs/dbraw/zinc/73/15/02/1207731502.db2.gz RYLOQPSYYNJIAZ-DJIMGWMZSA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220689241 1225016379 /nfs/dbraw/zinc/01/63/79/1225016379.db2.gz BDAQGQANXOYIBK-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220689241 1225016388 /nfs/dbraw/zinc/01/63/88/1225016388.db2.gz BDAQGQANXOYIBK-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220689241 1225016397 /nfs/dbraw/zinc/01/63/97/1225016397.db2.gz BDAQGQANXOYIBK-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O ZINC001220689241 1225016408 /nfs/dbraw/zinc/01/64/08/1225016408.db2.gz BDAQGQANXOYIBK-SJORKVTESA-N 2 2 368.522 0.137 20 0 FCADLP C[N@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430748 1207751952 /nfs/dbraw/zinc/75/19/52/1207751952.db2.gz QOEUUBZYINMCBK-OAHLLOKOSA-N 2 2 369.510 0.931 20 0 FCADLP C[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430748 1207751956 /nfs/dbraw/zinc/75/19/56/1207751956.db2.gz QOEUUBZYINMCBK-OAHLLOKOSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+](CCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430748 1207751962 /nfs/dbraw/zinc/75/19/62/1207751962.db2.gz QOEUUBZYINMCBK-OAHLLOKOSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000775430748 1207751965 /nfs/dbraw/zinc/75/19/65/1207751965.db2.gz QOEUUBZYINMCBK-OAHLLOKOSA-N 2 2 369.510 0.931 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014693 1207816193 /nfs/dbraw/zinc/81/61/93/1207816193.db2.gz QWDYUVXPKSCWKJ-SZERCSLISA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014693 1207816194 /nfs/dbraw/zinc/81/61/94/1207816194.db2.gz QWDYUVXPKSCWKJ-SZERCSLISA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014693 1207816196 /nfs/dbraw/zinc/81/61/96/1207816196.db2.gz QWDYUVXPKSCWKJ-SZERCSLISA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]2O)C1 ZINC001192014693 1207816197 /nfs/dbraw/zinc/81/61/97/1207816197.db2.gz QWDYUVXPKSCWKJ-SZERCSLISA-N 2 2 359.470 0.582 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014691 1207816300 /nfs/dbraw/zinc/81/63/00/1207816300.db2.gz QWDYUVXPKSCWKJ-RLXQNMOISA-N 2 2 359.470 0.582 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014691 1207816302 /nfs/dbraw/zinc/81/63/02/1207816302.db2.gz QWDYUVXPKSCWKJ-RLXQNMOISA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014691 1207816304 /nfs/dbraw/zinc/81/63/04/1207816304.db2.gz QWDYUVXPKSCWKJ-RLXQNMOISA-N 2 2 359.470 0.582 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]2O)C1 ZINC001192014691 1207816306 /nfs/dbraw/zinc/81/63/06/1207816306.db2.gz QWDYUVXPKSCWKJ-RLXQNMOISA-N 2 2 359.470 0.582 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C(C)C ZINC001193084672 1207857666 /nfs/dbraw/zinc/85/76/66/1207857666.db2.gz AFTRIOXRYNEYAQ-QBPKDAKJSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1)C(C)C ZINC001193084672 1207857667 /nfs/dbraw/zinc/85/76/67/1207857667.db2.gz AFTRIOXRYNEYAQ-QBPKDAKJSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C(C)C ZINC001193084672 1207857669 /nfs/dbraw/zinc/85/76/69/1207857669.db2.gz AFTRIOXRYNEYAQ-QBPKDAKJSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)C(C)C ZINC001193084672 1207857672 /nfs/dbraw/zinc/85/76/72/1207857672.db2.gz AFTRIOXRYNEYAQ-QBPKDAKJSA-N 2 2 368.522 0.133 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193737676 1207886487 /nfs/dbraw/zinc/88/64/87/1207886487.db2.gz DZLABGXRMCVWJY-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193737676 1207886490 /nfs/dbraw/zinc/88/64/90/1207886490.db2.gz DZLABGXRMCVWJY-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193737676 1207886491 /nfs/dbraw/zinc/88/64/91/1207886491.db2.gz DZLABGXRMCVWJY-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001193737676 1207886492 /nfs/dbraw/zinc/88/64/92/1207886492.db2.gz DZLABGXRMCVWJY-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737988 1207886766 /nfs/dbraw/zinc/88/67/66/1207886766.db2.gz LGMLPDTZVLPGOJ-BZUAXINKSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737988 1207886768 /nfs/dbraw/zinc/88/67/68/1207886768.db2.gz LGMLPDTZVLPGOJ-BZUAXINKSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737988 1207886769 /nfs/dbraw/zinc/88/67/69/1207886769.db2.gz LGMLPDTZVLPGOJ-BZUAXINKSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2O)C1 ZINC001193737988 1207886770 /nfs/dbraw/zinc/88/67/70/1207886770.db2.gz LGMLPDTZVLPGOJ-BZUAXINKSA-N 2 2 368.522 0.040 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001193757345 1207890356 /nfs/dbraw/zinc/89/03/56/1207890356.db2.gz ZMVDUSSEQDZWJJ-BRWVUGGUSA-N 2 2 362.474 0.739 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001193757345 1207890357 /nfs/dbraw/zinc/89/03/57/1207890357.db2.gz ZMVDUSSEQDZWJJ-BRWVUGGUSA-N 2 2 362.474 0.739 20 0 FCADLP CC[N@H+](C)CC(=O)N1CCc2[nH]nc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273665722 1207893312 /nfs/dbraw/zinc/89/33/12/1207893312.db2.gz CRYMESLUBFHKML-UHFFFAOYSA-N 2 2 362.478 0.070 20 0 FCADLP CC[N@@H+](C)CC(=O)N1CCc2[nH]nc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001273665722 1207893316 /nfs/dbraw/zinc/89/33/16/1207893316.db2.gz CRYMESLUBFHKML-UHFFFAOYSA-N 2 2 362.478 0.070 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1)C1CC1 ZINC001193893096 1207897798 /nfs/dbraw/zinc/89/77/98/1207897798.db2.gz ZEWVVABPZGUPGY-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1)C1CC1 ZINC001193893096 1207897799 /nfs/dbraw/zinc/89/77/99/1207897799.db2.gz ZEWVVABPZGUPGY-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001193893096 1207897800 /nfs/dbraw/zinc/89/78/00/1207897800.db2.gz ZEWVVABPZGUPGY-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001193893096 1207897802 /nfs/dbraw/zinc/89/78/02/1207897802.db2.gz ZEWVVABPZGUPGY-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001194192218 1207922514 /nfs/dbraw/zinc/92/25/14/1207922514.db2.gz URGVAEZUJMLCHY-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001194192218 1207922517 /nfs/dbraw/zinc/92/25/17/1207922517.db2.gz URGVAEZUJMLCHY-KBAYOESNSA-N 2 2 362.474 0.424 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194264636 1207928728 /nfs/dbraw/zinc/92/87/28/1207928728.db2.gz CYTZEXJHGYKLHP-NUEKZKHPSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194264636 1207928738 /nfs/dbraw/zinc/92/87/38/1207928738.db2.gz CYTZEXJHGYKLHP-NUEKZKHPSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194264636 1207928744 /nfs/dbraw/zinc/92/87/44/1207928744.db2.gz CYTZEXJHGYKLHP-NUEKZKHPSA-N 2 2 370.538 0.571 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194264636 1207928750 /nfs/dbraw/zinc/92/87/50/1207928750.db2.gz CYTZEXJHGYKLHP-NUEKZKHPSA-N 2 2 370.538 0.571 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194409811 1207944853 /nfs/dbraw/zinc/94/48/53/1207944853.db2.gz WZMGGPJCVNGIMG-ARFHVFGLSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194409811 1207944855 /nfs/dbraw/zinc/94/48/55/1207944855.db2.gz WZMGGPJCVNGIMG-ARFHVFGLSA-N 2 2 366.506 0.031 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O)C1CCCCC1 ZINC001194987683 1207986622 /nfs/dbraw/zinc/98/66/22/1207986622.db2.gz AKLBJXIXOWAJJF-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O)C1CCCCC1 ZINC001194987683 1207986624 /nfs/dbraw/zinc/98/66/24/1207986624.db2.gz AKLBJXIXOWAJJF-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O)C1CCCCC1 ZINC001194987683 1207986626 /nfs/dbraw/zinc/98/66/26/1207986626.db2.gz AKLBJXIXOWAJJF-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O)C1CCCCC1 ZINC001194987683 1207986628 /nfs/dbraw/zinc/98/66/28/1207986628.db2.gz AKLBJXIXOWAJJF-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996825 1207987851 /nfs/dbraw/zinc/98/78/51/1207987851.db2.gz IUYOYPLMDWZRFR-BRWVUGGUSA-N 2 2 366.506 0.081 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996825 1207987854 /nfs/dbraw/zinc/98/78/54/1207987854.db2.gz IUYOYPLMDWZRFR-BRWVUGGUSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996825 1207987857 /nfs/dbraw/zinc/98/78/57/1207987857.db2.gz IUYOYPLMDWZRFR-BRWVUGGUSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O)C1CCCCC1 ZINC001194996825 1207987860 /nfs/dbraw/zinc/98/78/60/1207987860.db2.gz IUYOYPLMDWZRFR-BRWVUGGUSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006696 1207988883 /nfs/dbraw/zinc/98/88/83/1207988883.db2.gz NGEJMMFEJXGVSP-FVQBIDKESA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006696 1207988884 /nfs/dbraw/zinc/98/88/84/1207988884.db2.gz NGEJMMFEJXGVSP-FVQBIDKESA-N 2 2 366.506 0.079 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007225 1207989251 /nfs/dbraw/zinc/98/92/51/1207989251.db2.gz ZYIXMHDHKDEEQS-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007225 1207989254 /nfs/dbraw/zinc/98/92/54/1207989254.db2.gz ZYIXMHDHKDEEQS-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195128570 1208000857 /nfs/dbraw/zinc/00/08/57/1208000857.db2.gz KXWJLIYAQUFJMJ-BRWVUGGUSA-N 2 2 362.405 0.307 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001195128570 1208000861 /nfs/dbraw/zinc/00/08/61/1208000861.db2.gz KXWJLIYAQUFJMJ-BRWVUGGUSA-N 2 2 362.405 0.307 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001195676548 1208032358 /nfs/dbraw/zinc/03/23/58/1208032358.db2.gz GEQLXIGFLSENGR-BRWVUGGUSA-N 2 2 365.449 0.362 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]2O)CC1 ZINC001195676548 1208032359 /nfs/dbraw/zinc/03/23/59/1208032359.db2.gz GEQLXIGFLSENGR-BRWVUGGUSA-N 2 2 365.449 0.362 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677094 1208032799 /nfs/dbraw/zinc/03/27/99/1208032799.db2.gz MJMBSZGEWBJHNZ-RBSFLKMASA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677094 1208032803 /nfs/dbraw/zinc/03/28/03/1208032803.db2.gz MJMBSZGEWBJHNZ-RBSFLKMASA-N 2 2 368.522 0.183 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869401 1208045137 /nfs/dbraw/zinc/04/51/37/1208045137.db2.gz CLBKPJIXBGZTJG-DJIMGWMZSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869401 1208045142 /nfs/dbraw/zinc/04/51/42/1208045142.db2.gz CLBKPJIXBGZTJG-DJIMGWMZSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869867 1208045289 /nfs/dbraw/zinc/04/52/89/1208045289.db2.gz FCUGPAQBUZFYGT-IAGOWNOFSA-N 2 2 370.538 0.240 20 0 FCADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869867 1208045291 /nfs/dbraw/zinc/04/52/91/1208045291.db2.gz FCUGPAQBUZFYGT-IAGOWNOFSA-N 2 2 370.538 0.240 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1O)[NH+](CC)CC ZINC001196116419 1208058662 /nfs/dbraw/zinc/05/86/62/1208058662.db2.gz ZEVOPBLTAVRFKL-BRWVUGGUSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1O)[NH+](CC)CC ZINC001196116419 1208058664 /nfs/dbraw/zinc/05/86/64/1208058664.db2.gz ZEVOPBLTAVRFKL-BRWVUGGUSA-N 2 2 364.490 0.872 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196284388 1208072048 /nfs/dbraw/zinc/07/20/48/1208072048.db2.gz SLIICANVZMAGGF-YFHUEUNASA-N 2 2 364.490 0.748 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196284388 1208072049 /nfs/dbraw/zinc/07/20/49/1208072049.db2.gz SLIICANVZMAGGF-YFHUEUNASA-N 2 2 364.490 0.748 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O)[NH+]1CCCC1 ZINC001196300820 1208074760 /nfs/dbraw/zinc/07/47/60/1208074760.db2.gz ZNNVUIOEFZMAMA-CGTJXYLNSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)[NH+]1CCCC1 ZINC001196300820 1208074762 /nfs/dbraw/zinc/07/47/62/1208074762.db2.gz ZNNVUIOEFZMAMA-CGTJXYLNSA-N 2 2 362.474 0.244 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319486 1208152355 /nfs/dbraw/zinc/15/23/55/1208152355.db2.gz JPUKSDKETIZCAZ-IAGOWNOFSA-N 2 2 366.462 0.009 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319486 1208152356 /nfs/dbraw/zinc/15/23/56/1208152356.db2.gz JPUKSDKETIZCAZ-IAGOWNOFSA-N 2 2 366.462 0.009 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)COC1)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197619618 1208177572 /nfs/dbraw/zinc/17/75/72/1208177572.db2.gz ITZQBWQYIVFHFA-GOSISDBHSA-N 2 2 359.470 0.848 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)COC1)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197619618 1208177576 /nfs/dbraw/zinc/17/75/76/1208177576.db2.gz ITZQBWQYIVFHFA-GOSISDBHSA-N 2 2 359.470 0.848 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1F ZINC001197784186 1208196784 /nfs/dbraw/zinc/19/67/84/1208196784.db2.gz SVMZHLMOJWPUOH-HZPDHXFCSA-N 2 2 369.437 0.074 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1F ZINC001197784186 1208196787 /nfs/dbraw/zinc/19/67/87/1208196787.db2.gz SVMZHLMOJWPUOH-HZPDHXFCSA-N 2 2 369.437 0.074 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001198017797 1208211532 /nfs/dbraw/zinc/21/15/32/1208211532.db2.gz MBBJFVSKMUAPPF-RBUKOAKNSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001198017797 1208211534 /nfs/dbraw/zinc/21/15/34/1208211534.db2.gz MBBJFVSKMUAPPF-RBUKOAKNSA-N 2 2 363.502 0.885 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC001198031525 1208215687 /nfs/dbraw/zinc/21/56/87/1208215687.db2.gz WAEOZIINFDSVAH-INIZCTEOSA-N 2 2 360.458 0.605 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC001198031525 1208215690 /nfs/dbraw/zinc/21/56/90/1208215690.db2.gz WAEOZIINFDSVAH-INIZCTEOSA-N 2 2 360.458 0.605 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039100 1208216961 /nfs/dbraw/zinc/21/69/61/1208216961.db2.gz ZHGYHCXIMQMSAD-ARFHVFGLSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039100 1208216964 /nfs/dbraw/zinc/21/69/64/1208216964.db2.gz ZHGYHCXIMQMSAD-ARFHVFGLSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039100 1208216967 /nfs/dbraw/zinc/21/69/67/1208216967.db2.gz ZHGYHCXIMQMSAD-ARFHVFGLSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1O ZINC001198039100 1208216970 /nfs/dbraw/zinc/21/69/70/1208216970.db2.gz ZHGYHCXIMQMSAD-ARFHVFGLSA-N 2 2 370.538 0.573 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC001198285378 1208234956 /nfs/dbraw/zinc/23/49/56/1208234956.db2.gz JRASMJKYRCFOSK-QZTJIDSGSA-N 2 2 358.442 0.723 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC001198285378 1208234959 /nfs/dbraw/zinc/23/49/59/1208234959.db2.gz JRASMJKYRCFOSK-QZTJIDSGSA-N 2 2 358.442 0.723 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699503 1208279910 /nfs/dbraw/zinc/27/99/10/1208279910.db2.gz UDSJKQLDCCOCCL-KZNAEPCWSA-N 2 2 371.522 0.179 20 0 FCADLP CC(C)CN1CCO[C@@H](C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001198900729 1208299423 /nfs/dbraw/zinc/29/94/23/1208299423.db2.gz KLLBBHSDFZZGMI-SFHVURJKSA-N 2 2 362.522 0.675 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199036426 1208312823 /nfs/dbraw/zinc/31/28/23/1208312823.db2.gz JZIXXYXNYKLREK-IAGOWNOFSA-N 2 2 362.474 0.001 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001199036426 1208312824 /nfs/dbraw/zinc/31/28/24/1208312824.db2.gz JZIXXYXNYKLREK-IAGOWNOFSA-N 2 2 362.474 0.001 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199057291 1208314483 /nfs/dbraw/zinc/31/44/83/1208314483.db2.gz GMBCLODKPPBYLV-KBAYOESNSA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199057291 1208314488 /nfs/dbraw/zinc/31/44/88/1208314488.db2.gz GMBCLODKPPBYLV-KBAYOESNSA-N 2 2 361.490 0.883 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095229 1208318009 /nfs/dbraw/zinc/31/80/09/1208318009.db2.gz FJVIWRFMXRTYJV-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095229 1208318011 /nfs/dbraw/zinc/31/80/11/1208318011.db2.gz FJVIWRFMXRTYJV-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199095229 1208318014 /nfs/dbraw/zinc/31/80/14/1208318014.db2.gz FJVIWRFMXRTYJV-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199095229 1208318017 /nfs/dbraw/zinc/31/80/17/1208318017.db2.gz FJVIWRFMXRTYJV-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104349 1208318291 /nfs/dbraw/zinc/31/82/91/1208318291.db2.gz KUNCCUXEBBQKJA-IXDOHACOSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104349 1208318294 /nfs/dbraw/zinc/31/82/94/1208318294.db2.gz KUNCCUXEBBQKJA-IXDOHACOSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001199104349 1208318295 /nfs/dbraw/zinc/31/82/95/1208318295.db2.gz KUNCCUXEBBQKJA-IXDOHACOSA-N 2 2 371.428 0.500 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103862 1208318628 /nfs/dbraw/zinc/31/86/28/1208318628.db2.gz DDPNSTCVOOUNLH-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103862 1208318633 /nfs/dbraw/zinc/31/86/33/1208318633.db2.gz DDPNSTCVOOUNLH-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001199103862 1208318637 /nfs/dbraw/zinc/31/86/37/1208318637.db2.gz DDPNSTCVOOUNLH-GVDBMIGSSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001199105051 1208319543 /nfs/dbraw/zinc/31/95/43/1208319543.db2.gz ZZGVNVCEQYZYDY-RTBURBONSA-N 2 2 371.485 0.874 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001199105051 1208319545 /nfs/dbraw/zinc/31/95/45/1208319545.db2.gz ZZGVNVCEQYZYDY-RTBURBONSA-N 2 2 371.485 0.874 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001199105051 1208319547 /nfs/dbraw/zinc/31/95/47/1208319547.db2.gz ZZGVNVCEQYZYDY-RTBURBONSA-N 2 2 371.485 0.874 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001199105051 1208319551 /nfs/dbraw/zinc/31/95/51/1208319551.db2.gz ZZGVNVCEQYZYDY-RTBURBONSA-N 2 2 371.485 0.874 20 0 FCADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001199344241 1208337765 /nfs/dbraw/zinc/33/77/65/1208337765.db2.gz CEFHUCOCMNKOMM-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001199344241 1208337768 /nfs/dbraw/zinc/33/77/68/1208337768.db2.gz CEFHUCOCMNKOMM-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000867315134 1208341121 /nfs/dbraw/zinc/34/11/21/1208341121.db2.gz WUTNZYFYXXVDOS-MTGFJVSHSA-N 2 2 359.470 0.758 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000867315134 1208341125 /nfs/dbraw/zinc/34/11/25/1208341125.db2.gz WUTNZYFYXXVDOS-MTGFJVSHSA-N 2 2 359.470 0.758 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@@H](CO)Cc2ccc(O)cc2)CC1 ZINC001199361769 1208343229 /nfs/dbraw/zinc/34/32/29/1208343229.db2.gz VMTLNJHAOGXWBE-MRXNPFEDSA-N 2 2 370.453 0.872 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2[NH2+]CCCO)cn1 ZINC001691706706 1208438036 /nfs/dbraw/zinc/43/80/36/1208438036.db2.gz AFEQIZXVOYDZPY-LSDHHAIUSA-N 2 2 360.462 0.387 20 0 FCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201737203 1208464145 /nfs/dbraw/zinc/46/41/45/1208464145.db2.gz TXKAUKPNOBKEJH-JQHSSLGASA-N 2 2 369.506 0.482 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220831340 1225096086 /nfs/dbraw/zinc/09/60/86/1225096086.db2.gz VRJXKYSXOPDPKH-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220831340 1225096076 /nfs/dbraw/zinc/09/60/76/1225096076.db2.gz VRJXKYSXOPDPKH-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220831340 1225096090 /nfs/dbraw/zinc/09/60/90/1225096090.db2.gz VRJXKYSXOPDPKH-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001220831340 1225096099 /nfs/dbraw/zinc/09/60/99/1225096099.db2.gz VRJXKYSXOPDPKH-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220852632 1225107792 /nfs/dbraw/zinc/10/77/92/1225107792.db2.gz PZKXMMDVXKAETD-MSOLQXFVSA-N 2 2 358.442 0.891 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001220852632 1225107797 /nfs/dbraw/zinc/10/77/97/1225107797.db2.gz PZKXMMDVXKAETD-MSOLQXFVSA-N 2 2 358.442 0.891 20 0 FCADLP CCOC(=O)[C@@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001220875917 1225120183 /nfs/dbraw/zinc/12/01/83/1225120183.db2.gz BGDKUAIMJDGKRA-DLBZAZTESA-N 2 2 362.474 0.200 20 0 FCADLP COC(=O)c1cccc(CN2CC[NH+](C)CC2)c1CN1CC[NH+](C)CC1 ZINC000851721409 1209518214 /nfs/dbraw/zinc/51/82/14/1209518214.db2.gz JYKZWTABUFEQAF-UHFFFAOYSA-N 2 2 360.502 0.968 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@H+](C[C@H]1CCOC1)C2 ZINC001202485064 1209523564 /nfs/dbraw/zinc/52/35/64/1209523564.db2.gz FCCYKTGWKWOPIH-SJORKVTESA-N 2 2 364.490 0.705 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@@H+](C[C@H]1CCOC1)C2 ZINC001202485064 1209523569 /nfs/dbraw/zinc/52/35/69/1209523569.db2.gz FCCYKTGWKWOPIH-SJORKVTESA-N 2 2 364.490 0.705 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220927976 1225145356 /nfs/dbraw/zinc/14/53/56/1225145356.db2.gz BLSUSYYNZWUEJQ-INIZCTEOSA-N 2 2 356.430 0.343 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110662197 1209586752 /nfs/dbraw/zinc/58/67/52/1209586752.db2.gz KGCQOUSTKSSGLK-CBZIJGRNSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110662197 1209586760 /nfs/dbraw/zinc/58/67/60/1209586760.db2.gz KGCQOUSTKSSGLK-CBZIJGRNSA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708099 1209709813 /nfs/dbraw/zinc/70/98/13/1209709813.db2.gz KRAHSADRZGUFII-OVYGPGRDSA-N 2 2 366.506 0.294 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110708099 1209709815 /nfs/dbraw/zinc/70/98/15/1209709815.db2.gz KRAHSADRZGUFII-OVYGPGRDSA-N 2 2 366.506 0.294 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001110708099 1209709819 /nfs/dbraw/zinc/70/98/19/1209709819.db2.gz KRAHSADRZGUFII-OVYGPGRDSA-N 2 2 366.506 0.294 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001110708099 1209709822 /nfs/dbraw/zinc/70/98/22/1209709822.db2.gz KRAHSADRZGUFII-OVYGPGRDSA-N 2 2 366.506 0.294 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001110736912 1209763503 /nfs/dbraw/zinc/76/35/03/1209763503.db2.gz SANGRGKQXHCILZ-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCCOC ZINC001110736912 1209763512 /nfs/dbraw/zinc/76/35/12/1209763512.db2.gz SANGRGKQXHCILZ-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001110736912 1209763520 /nfs/dbraw/zinc/76/35/20/1209763520.db2.gz SANGRGKQXHCILZ-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001110736912 1209763529 /nfs/dbraw/zinc/76/35/29/1209763529.db2.gz SANGRGKQXHCILZ-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748534 1209793787 /nfs/dbraw/zinc/79/37/87/1209793787.db2.gz IFYGNMNKJSJLHD-UNEWFSDZSA-N 2 2 366.462 0.734 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748534 1209793792 /nfs/dbraw/zinc/79/37/92/1209793792.db2.gz IFYGNMNKJSJLHD-UNEWFSDZSA-N 2 2 366.462 0.734 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000861539858 1209870138 /nfs/dbraw/zinc/87/01/38/1209870138.db2.gz QIKPSERVTIPADG-OAHLLOKOSA-N 2 2 361.490 0.568 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)C(C)C ZINC001220979183 1225170649 /nfs/dbraw/zinc/17/06/49/1225170649.db2.gz FVTDWRNGMWIXSS-BBWFWOEESA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)C(C)C ZINC001220979183 1225170651 /nfs/dbraw/zinc/17/06/51/1225170651.db2.gz FVTDWRNGMWIXSS-BBWFWOEESA-N 2 2 368.522 0.277 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275615 1209908248 /nfs/dbraw/zinc/90/82/48/1209908248.db2.gz WQLJSZYSHFMMME-CABCVRRESA-N 2 2 370.494 0.374 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)c1 ZINC000863755373 1209950333 /nfs/dbraw/zinc/95/03/33/1209950333.db2.gz NVVDYIVXSRTMRI-CABCVRRESA-N 2 2 362.474 0.706 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC000119994214 1209957798 /nfs/dbraw/zinc/95/77/98/1209957798.db2.gz AGLBOSDZGHXETH-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000119994214 1209957801 /nfs/dbraw/zinc/95/78/01/1209957801.db2.gz AGLBOSDZGHXETH-UHFFFAOYSA-N 2 2 374.489 0.446 20 0 FCADLP C[NH+](C)CCNC(=O)c1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000864847639 1209965689 /nfs/dbraw/zinc/96/56/89/1209965689.db2.gz ZQOQQRAZOURPKB-ARJAWSKDSA-N 2 2 360.458 0.805 20 0 FCADLP O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000866722904 1210005653 /nfs/dbraw/zinc/00/56/53/1210005653.db2.gz APEYTBDTSSRXHK-PMACEKPBSA-N 2 2 372.513 0.961 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994479 1225180197 /nfs/dbraw/zinc/18/01/97/1225180197.db2.gz STCIHHQEASMMFS-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001220994479 1225180200 /nfs/dbraw/zinc/18/02/00/1225180200.db2.gz STCIHHQEASMMFS-ZACQAIPSSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000868309767 1210051097 /nfs/dbraw/zinc/05/10/97/1210051097.db2.gz MGCZWXHQGKWQSF-HNNXBMFYSA-N 2 2 373.501 0.883 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023289 1225189888 /nfs/dbraw/zinc/18/98/88/1225189888.db2.gz HBBCZDQICODNBO-KRWDZBQOSA-N 2 2 355.442 0.911 20 0 FCADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221058389 1225202229 /nfs/dbraw/zinc/20/22/29/1225202229.db2.gz HOXBHZKIFHAQSQ-BBTUJRGHSA-N 2 2 367.449 0.992 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876722513 1210424907 /nfs/dbraw/zinc/42/49/07/1210424907.db2.gz XAKYSWQBXSBFSI-HNNXBMFYSA-N 2 2 372.391 0.986 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221081218 1225213651 /nfs/dbraw/zinc/21/36/51/1225213651.db2.gz GMBCLODKPPBYLV-NXHRZFHOSA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221081218 1225213659 /nfs/dbraw/zinc/21/36/59/1225213659.db2.gz GMBCLODKPPBYLV-NXHRZFHOSA-N 2 2 361.490 0.883 20 0 FCADLP C[NH+](C)CCn1cc(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cn1 ZINC000878847818 1210467557 /nfs/dbraw/zinc/46/75/57/1210467557.db2.gz BCFBUIDIOIWUSK-UHFFFAOYSA-N 2 2 363.510 0.688 20 0 FCADLP COC[C@H]([NH3+])Cc1cn(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000881343367 1210585095 /nfs/dbraw/zinc/58/50/95/1210585095.db2.gz KJVBCZJIOGVKRO-CQSZACIVSA-N 2 2 368.482 0.347 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000883645107 1210678658 /nfs/dbraw/zinc/67/86/58/1210678658.db2.gz ABZVDIMBBASZNL-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000883645107 1210678660 /nfs/dbraw/zinc/67/86/60/1210678660.db2.gz ABZVDIMBBASZNL-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000800218349 1210713583 /nfs/dbraw/zinc/71/35/83/1210713583.db2.gz PUVNNBIGVAMSGE-YESZJQIVSA-N 2 2 367.490 0.583 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)CC1=O ZINC000800218349 1210713589 /nfs/dbraw/zinc/71/35/89/1210713589.db2.gz PUVNNBIGVAMSGE-YESZJQIVSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CC1=O ZINC000800218349 1210713591 /nfs/dbraw/zinc/71/35/91/1210713591.db2.gz PUVNNBIGVAMSGE-YESZJQIVSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CC1=O ZINC000800218349 1210713595 /nfs/dbraw/zinc/71/35/95/1210713595.db2.gz PUVNNBIGVAMSGE-YESZJQIVSA-N 2 2 367.490 0.583 20 0 FCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884208157 1210723253 /nfs/dbraw/zinc/72/32/53/1210723253.db2.gz RJGFMNAXHOBZHU-INIZCTEOSA-N 2 2 361.490 0.871 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221587 1210724385 /nfs/dbraw/zinc/72/43/85/1210724385.db2.gz VNNLDTVNEVHLLL-QGZVFWFLSA-N 3 2 372.517 0.390 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(N4CC[NH2+]CC4)c3)C2)CC1 ZINC000884221587 1210724387 /nfs/dbraw/zinc/72/43/87/1210724387.db2.gz VNNLDTVNEVHLLL-QGZVFWFLSA-N 3 2 372.517 0.390 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884317407 1210729803 /nfs/dbraw/zinc/72/98/03/1210729803.db2.gz UGSBSGNZJZKETP-MRXNPFEDSA-N 2 2 352.442 0.895 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)[nH+]c12 ZINC000884492242 1210739416 /nfs/dbraw/zinc/73/94/16/1210739416.db2.gz PWAABKKWHISHSM-JKSUJKDBSA-N 2 2 355.442 0.654 20 0 FCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000884545572 1210748053 /nfs/dbraw/zinc/74/80/53/1210748053.db2.gz LSPSRSAIZXDMTE-QGZVFWFLSA-N 2 2 371.441 0.489 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884634114 1210768517 /nfs/dbraw/zinc/76/85/17/1210768517.db2.gz NZEKWIRAINTZON-NOVWEMISSA-N 2 2 356.470 0.936 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884634114 1210768520 /nfs/dbraw/zinc/76/85/20/1210768520.db2.gz NZEKWIRAINTZON-NOVWEMISSA-N 2 2 356.470 0.936 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(C[NH3+])CCCCC1 ZINC000884643975 1210771505 /nfs/dbraw/zinc/77/15/05/1210771505.db2.gz ZGCQAOLMGYKFGZ-OAHLLOKOSA-N 2 2 359.474 0.897 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674517 1210776492 /nfs/dbraw/zinc/77/64/92/1210776492.db2.gz XYFGORGHJSZDFP-QZTJIDSGSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674517 1210776502 /nfs/dbraw/zinc/77/65/02/1210776502.db2.gz XYFGORGHJSZDFP-QZTJIDSGSA-N 2 2 374.485 0.180 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884688183 1210781379 /nfs/dbraw/zinc/78/13/79/1210781379.db2.gz VPKAVSJYXHRVQM-KRWDZBQOSA-N 2 2 362.474 0.038 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884688183 1210781384 /nfs/dbraw/zinc/78/13/84/1210781384.db2.gz VPKAVSJYXHRVQM-KRWDZBQOSA-N 2 2 362.474 0.038 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706598 1210785095 /nfs/dbraw/zinc/78/50/95/1210785095.db2.gz IHNBHGPAWWLVMU-ROUUACIJSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc1 ZINC000884706598 1210785096 /nfs/dbraw/zinc/78/50/96/1210785096.db2.gz IHNBHGPAWWLVMU-ROUUACIJSA-N 2 2 374.485 0.166 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884775017 1210793491 /nfs/dbraw/zinc/79/34/91/1210793491.db2.gz WNCLGSBFZYYDID-CAOSSQGBSA-N 2 2 368.522 0.495 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884775017 1210793493 /nfs/dbraw/zinc/79/34/93/1210793493.db2.gz WNCLGSBFZYYDID-CAOSSQGBSA-N 2 2 368.522 0.495 20 0 FCADLP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884791135 1210795738 /nfs/dbraw/zinc/79/57/38/1210795738.db2.gz RBWCJEZNEWATFT-RCDNUKIMSA-N 2 2 353.426 0.609 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797803 1210797396 /nfs/dbraw/zinc/79/73/96/1210797396.db2.gz XUGWMTWLHUKTOF-WBVHZDCISA-N 2 2 362.474 0.036 20 0 FCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797803 1210797402 /nfs/dbraw/zinc/79/74/02/1210797402.db2.gz XUGWMTWLHUKTOF-WBVHZDCISA-N 2 2 362.474 0.036 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[NH2+]C1 ZINC000884876427 1210802284 /nfs/dbraw/zinc/80/22/84/1210802284.db2.gz BDXIEROUUDHINO-HOTGVXAUSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221152450 1225242013 /nfs/dbraw/zinc/24/20/13/1225242013.db2.gz YLGJHPCLXVPNCI-BEFAXECRSA-N 2 2 357.458 0.556 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000884984323 1210807401 /nfs/dbraw/zinc/80/74/01/1210807401.db2.gz WKHZVUYCPDTCOB-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000884984323 1210807402 /nfs/dbraw/zinc/80/74/02/1210807402.db2.gz WKHZVUYCPDTCOB-WMZOPIPTSA-N 2 2 374.485 0.132 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000885009248 1210807694 /nfs/dbraw/zinc/80/76/94/1210807694.db2.gz OHDXHRRARBSWMZ-MUJYYYPQSA-N 2 2 357.458 0.377 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021041 1210809160 /nfs/dbraw/zinc/80/91/60/1210809160.db2.gz STEOQTXDUROUSL-ZWKOTPCHSA-N 2 2 374.485 0.132 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000885021041 1210809164 /nfs/dbraw/zinc/80/91/64/1210809164.db2.gz STEOQTXDUROUSL-ZWKOTPCHSA-N 2 2 374.485 0.132 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144255 1210812238 /nfs/dbraw/zinc/81/22/38/1210812238.db2.gz DHJYVGLRANBQCV-OAHLLOKOSA-N 2 2 363.462 0.007 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000885227597 1210816395 /nfs/dbraw/zinc/81/63/95/1210816395.db2.gz KMAPMAHSNOKGQU-ZACQAIPSSA-N 2 2 353.426 0.561 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000885290905 1210817446 /nfs/dbraw/zinc/81/74/46/1210817446.db2.gz HDSOAAFKJTUENC-ZDUSSCGKSA-N 2 2 367.400 0.091 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886869648 1210838383 /nfs/dbraw/zinc/83/83/83/1210838383.db2.gz DZUOJZIJRMHCRL-FQEVSTJZSA-N 2 2 374.485 0.633 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886869648 1210838385 /nfs/dbraw/zinc/83/83/85/1210838385.db2.gz DZUOJZIJRMHCRL-FQEVSTJZSA-N 2 2 374.485 0.633 20 0 FCADLP COC(=O)Cn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000887556437 1210865857 /nfs/dbraw/zinc/86/58/57/1210865857.db2.gz ORUISJVOYHPVJK-UHFFFAOYSA-N 2 2 364.494 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)[C@@H]4[C@@H](O)CCCN4C3=O)CC2)CC1 ZINC000349350740 1210866148 /nfs/dbraw/zinc/86/61/48/1210866148.db2.gz VZEUHXWHQKBBFG-HOTGVXAUSA-N 2 2 350.463 0.333 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+](C)C2)C[C@H]1c1cn(C)c[nH+]1 ZINC001274195410 1210908450 /nfs/dbraw/zinc/90/84/50/1210908450.db2.gz PJYLCBFBHAVAPR-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1c1cn(C)c[nH+]1 ZINC001274195410 1210908455 /nfs/dbraw/zinc/90/84/55/1210908455.db2.gz PJYLCBFBHAVAPR-ARFHVFGLSA-N 2 2 361.490 0.782 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756683 1210948151 /nfs/dbraw/zinc/94/81/51/1210948151.db2.gz OEODFXFNVRAUBO-JKSUJKDBSA-N 2 2 372.473 0.894 20 0 FCADLP Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)nc(C)[nH+]1 ZINC001066689383 1210992691 /nfs/dbraw/zinc/99/26/91/1210992691.db2.gz JDQAYHUYMFYPHH-FVQBIDKESA-N 2 2 363.462 0.452 20 0 FCADLP Cc1cc(NC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)nc(C)[nH+]1 ZINC001066689383 1210992699 /nfs/dbraw/zinc/99/26/99/1210992699.db2.gz JDQAYHUYMFYPHH-FVQBIDKESA-N 2 2 363.462 0.452 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001274397915 1211044208 /nfs/dbraw/zinc/04/42/08/1211044208.db2.gz VZJVKMKYXUUXNO-BZSNNMDCSA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001274397915 1211044209 /nfs/dbraw/zinc/04/42/09/1211044209.db2.gz VZJVKMKYXUUXNO-BZSNNMDCSA-N 2 2 361.490 0.525 20 0 FCADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1)C12CCC[NH+]1CCC2 ZINC001274407173 1211045881 /nfs/dbraw/zinc/04/58/81/1211045881.db2.gz BWWMDPZCXNRAJB-SJORKVTESA-N 2 2 359.474 0.423 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001274513358 1211071791 /nfs/dbraw/zinc/07/17/91/1211071791.db2.gz AZZUXFMZWLCJAQ-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001274513358 1211071795 /nfs/dbraw/zinc/07/17/95/1211071795.db2.gz AZZUXFMZWLCJAQ-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001274513358 1211071799 /nfs/dbraw/zinc/07/17/99/1211071799.db2.gz AZZUXFMZWLCJAQ-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)CC1 ZINC001274513358 1211071802 /nfs/dbraw/zinc/07/18/02/1211071802.db2.gz AZZUXFMZWLCJAQ-OALUTQOASA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCC[C@]3(C2)C[N@H+](CCn2ccnc2)CCO3)CC1 ZINC001274953503 1211151951 /nfs/dbraw/zinc/15/19/51/1211151951.db2.gz PKPKIRPSIDEHGL-GOSISDBHSA-N 2 2 361.490 0.671 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCC[C@]3(C2)C[N@@H+](CCn2ccnc2)CCO3)CC1 ZINC001274953503 1211151953 /nfs/dbraw/zinc/15/19/53/1211151953.db2.gz PKPKIRPSIDEHGL-GOSISDBHSA-N 2 2 361.490 0.671 20 0 FCADLP COC(=O)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001275132953 1211177661 /nfs/dbraw/zinc/17/76/61/1211177661.db2.gz NUQDHGASDFDTFN-GOSISDBHSA-N 2 2 364.446 0.424 20 0 FCADLP COC(=O)CCC[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001275132953 1211177663 /nfs/dbraw/zinc/17/76/63/1211177663.db2.gz NUQDHGASDFDTFN-GOSISDBHSA-N 2 2 364.446 0.424 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@H]2C[NH+](C)CCN2C)C3)n(C)n1 ZINC001275176074 1211188847 /nfs/dbraw/zinc/18/88/47/1211188847.db2.gz FSUBFYHGSFOLOQ-BPQIPLTHSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@H]2C[NH+](C)CCN2C)C3)n(C)n1 ZINC001275176074 1211188851 /nfs/dbraw/zinc/18/88/51/1211188851.db2.gz FSUBFYHGSFOLOQ-BPQIPLTHSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@H]2C[N@H+](C)CCN2C)C3)n(C)n1 ZINC001275176074 1211188854 /nfs/dbraw/zinc/18/88/54/1211188854.db2.gz FSUBFYHGSFOLOQ-BPQIPLTHSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)N(C(=O)[C@H]2C[N@@H+](C)CCN2C)C3)n(C)n1 ZINC001275176074 1211188858 /nfs/dbraw/zinc/18/88/58/1211188858.db2.gz FSUBFYHGSFOLOQ-BPQIPLTHSA-N 2 2 360.506 0.007 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](CCCC3OCCO3)C2)OCC1=O ZINC001275293288 1211210457 /nfs/dbraw/zinc/21/04/57/1211210457.db2.gz ONKHOKZBYMLQHC-SFHVURJKSA-N 2 2 364.446 0.377 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](CCCC3OCCO3)C2)OCC1=O ZINC001275293288 1211210461 /nfs/dbraw/zinc/21/04/61/1211210461.db2.gz ONKHOKZBYMLQHC-SFHVURJKSA-N 2 2 364.446 0.377 20 0 FCADLP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnoc2)CC1 ZINC001275337444 1211218088 /nfs/dbraw/zinc/21/80/88/1211218088.db2.gz RGOZSXWSULSYEW-QZTJIDSGSA-N 2 2 361.490 0.877 20 0 FCADLP C[NH+]1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnoc2)CC1 ZINC001275337444 1211218091 /nfs/dbraw/zinc/21/80/91/1211218091.db2.gz RGOZSXWSULSYEW-QZTJIDSGSA-N 2 2 361.490 0.877 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cnoc2)CC1 ZINC001275337444 1211218097 /nfs/dbraw/zinc/21/80/97/1211218097.db2.gz RGOZSXWSULSYEW-QZTJIDSGSA-N 2 2 361.490 0.877 20 0 FCADLP O=c1ccc(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c[nH]1 ZINC001275441698 1211238559 /nfs/dbraw/zinc/23/85/59/1211238559.db2.gz SWUBWESCPLEGKB-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP O=c1ccc(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c[nH]1 ZINC001275441698 1211238562 /nfs/dbraw/zinc/23/85/62/1211238562.db2.gz SWUBWESCPLEGKB-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP CC(C)OC(=O)CN1C[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275446778 1211239267 /nfs/dbraw/zinc/23/92/67/1211239267.db2.gz BVQQYCIQXURXGD-GOSISDBHSA-N 2 2 362.430 0.249 20 0 FCADLP CC(C)OC(=O)CN1C[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001275446778 1211239270 /nfs/dbraw/zinc/23/92/70/1211239270.db2.gz BVQQYCIQXURXGD-GOSISDBHSA-N 2 2 362.430 0.249 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(C1)CN(Cc1ccncc1)C(=O)CO2 ZINC001275456029 1211242806 /nfs/dbraw/zinc/24/28/06/1211242806.db2.gz TYXIPKOOQKFHFS-IBGZPJMESA-N 2 2 353.426 0.893 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(C1)CN(Cc1ccncc1)C(=O)CO2 ZINC001275456029 1211242807 /nfs/dbraw/zinc/24/28/07/1211242807.db2.gz TYXIPKOOQKFHFS-IBGZPJMESA-N 2 2 353.426 0.893 20 0 FCADLP CCOC(=O)[C@@H](C)N1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275742824 1211280365 /nfs/dbraw/zinc/28/03/65/1211280365.db2.gz IHHNCXOBJDHNIO-OAHLLOKOSA-N 2 2 367.490 0.583 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC3)n(C)n1 ZINC001275801714 1211286094 /nfs/dbraw/zinc/28/60/94/1211286094.db2.gz UWZCMUXXRUDHPG-QGZVFWFLSA-N 2 2 361.490 0.220 20 0 FCADLP Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC3)n(C)n1 ZINC001275801714 1211286097 /nfs/dbraw/zinc/28/60/97/1211286097.db2.gz UWZCMUXXRUDHPG-QGZVFWFLSA-N 2 2 361.490 0.220 20 0 FCADLP CCn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424496 1211334059 /nfs/dbraw/zinc/33/40/59/1211334059.db2.gz SRGHLHLVHPSHSJ-BGTYHANMSA-N 2 2 358.490 0.861 20 0 FCADLP CCn1nncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424496 1211334061 /nfs/dbraw/zinc/33/40/61/1211334061.db2.gz SRGHLHLVHPSHSJ-BGTYHANMSA-N 2 2 358.490 0.861 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001221257017 1225282048 /nfs/dbraw/zinc/28/20/48/1225282048.db2.gz VFEABCIBGGAAHR-ROUUACIJSA-N 2 2 370.453 0.753 20 0 FCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001276111772 1211357674 /nfs/dbraw/zinc/35/76/74/1211357674.db2.gz HLHZMSMZCSMPLO-GOSISDBHSA-N 2 2 361.446 0.392 20 0 FCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)cn1 ZINC001276111772 1211357676 /nfs/dbraw/zinc/35/76/76/1211357676.db2.gz HLHZMSMZCSMPLO-GOSISDBHSA-N 2 2 361.446 0.392 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248960 1211392427 /nfs/dbraw/zinc/39/24/27/1211392427.db2.gz YINNVQSZNSSOHF-KBXCAEBGSA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276248960 1211392428 /nfs/dbraw/zinc/39/24/28/1211392428.db2.gz YINNVQSZNSSOHF-KBXCAEBGSA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252690 1211394072 /nfs/dbraw/zinc/39/40/72/1211394072.db2.gz WJLPDIWOVWQNRI-KSSFIOAISA-N 2 2 364.446 0.280 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276252690 1211394075 /nfs/dbraw/zinc/39/40/75/1211394075.db2.gz WJLPDIWOVWQNRI-KSSFIOAISA-N 2 2 364.446 0.280 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)c[nH+]1 ZINC001095606863 1211423789 /nfs/dbraw/zinc/42/37/89/1211423789.db2.gz GOIJZNBJWUONNR-PMPSAXMXSA-N 2 2 374.489 0.673 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)c[nH+]1 ZINC001095606863 1211423791 /nfs/dbraw/zinc/42/37/91/1211423791.db2.gz GOIJZNBJWUONNR-PMPSAXMXSA-N 2 2 374.489 0.673 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1)c1ccn2c[nH+]cc2c1 ZINC001095695304 1211449770 /nfs/dbraw/zinc/44/97/70/1211449770.db2.gz RUKOUTMAMKKILS-PVAVHDDUSA-N 2 2 351.414 0.961 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)c1ccn2c[nH+]cc2c1 ZINC001095695304 1211449772 /nfs/dbraw/zinc/44/97/72/1211449772.db2.gz RUKOUTMAMKKILS-PVAVHDDUSA-N 2 2 351.414 0.961 20 0 FCADLP CN1CC[N@H+](CCCN2C(=O)N[C@@H](C[NH+](C)C)C2=O)[C@H](c2ccccc2)C1 ZINC000924472326 1211471083 /nfs/dbraw/zinc/47/10/83/1211471083.db2.gz DIEHLAUMRZBJHO-ROUUACIJSA-N 2 2 373.501 0.847 20 0 FCADLP CN1CC[N@@H+](CCCN2C(=O)N[C@@H](C[NH+](C)C)C2=O)[C@H](c2ccccc2)C1 ZINC000924472326 1211471084 /nfs/dbraw/zinc/47/10/84/1211471084.db2.gz DIEHLAUMRZBJHO-ROUUACIJSA-N 2 2 373.501 0.847 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000925593455 1211503299 /nfs/dbraw/zinc/50/32/99/1211503299.db2.gz ARYQBFTWFBZLCB-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000925593455 1211503301 /nfs/dbraw/zinc/50/33/01/1211503301.db2.gz ARYQBFTWFBZLCB-SJORKVTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000925609111 1211505169 /nfs/dbraw/zinc/50/51/69/1211505169.db2.gz OWASIHGBTXQUSI-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3C(=O)NCC34CCOCC4)[nH+]c2)C1 ZINC000925938500 1211510529 /nfs/dbraw/zinc/51/05/29/1211510529.db2.gz ZHUYCYWOLLLGEY-RDJZCZTQSA-N 2 2 359.474 0.929 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926050393 1211513447 /nfs/dbraw/zinc/51/34/47/1211513447.db2.gz MVGHJROTZFMELM-SFHVURJKSA-N 2 2 362.478 0.965 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000927482971 1211572015 /nfs/dbraw/zinc/57/20/15/1211572015.db2.gz JNMTVIXCOUUANM-UHFFFAOYSA-N 2 2 365.478 0.791 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000927487255 1211572410 /nfs/dbraw/zinc/57/24/10/1211572410.db2.gz OVROKOKFABINAJ-UHFFFAOYSA-N 2 2 365.478 0.792 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110959754 1211615502 /nfs/dbraw/zinc/61/55/02/1211615502.db2.gz ZZUSJQRGESSDQB-TWMKSMIVSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110959754 1211615503 /nfs/dbraw/zinc/61/55/03/1211615503.db2.gz ZZUSJQRGESSDQB-TWMKSMIVSA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001110959136 1211615528 /nfs/dbraw/zinc/61/55/28/1211615528.db2.gz FOJGDWMVEFUBPI-OIISXLGYSA-N 2 2 362.474 0.959 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001110959136 1211615529 /nfs/dbraw/zinc/61/55/29/1211615529.db2.gz FOJGDWMVEFUBPI-OIISXLGYSA-N 2 2 362.474 0.959 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110961698 1211617328 /nfs/dbraw/zinc/61/73/28/1211617328.db2.gz DXDPWHAIZFVFGC-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110961698 1211617332 /nfs/dbraw/zinc/61/73/32/1211617332.db2.gz DXDPWHAIZFVFGC-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000929199641 1211622470 /nfs/dbraw/zinc/62/24/70/1211622470.db2.gz BTQOWACCGYUEFN-AEFFLSMTSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000929199641 1211622473 /nfs/dbraw/zinc/62/24/73/1211622473.db2.gz BTQOWACCGYUEFN-AEFFLSMTSA-N 2 2 374.485 0.769 20 0 FCADLP C[C@@H](C(=O)NCc1ccco1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980296 1211684159 /nfs/dbraw/zinc/68/41/59/1211684159.db2.gz YJZBKXMSVRUNFJ-ABFRBSLYSA-N 2 2 362.474 0.958 20 0 FCADLP C[C@@H](C(=O)NCc1ccco1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980296 1211684161 /nfs/dbraw/zinc/68/41/61/1211684161.db2.gz YJZBKXMSVRUNFJ-ABFRBSLYSA-N 2 2 362.474 0.958 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906535 1211727952 /nfs/dbraw/zinc/72/79/52/1211727952.db2.gz ZWLKAWTWNUISDI-KSZLIROESA-N 2 2 366.458 0.520 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906535 1211727956 /nfs/dbraw/zinc/72/79/56/1211727956.db2.gz ZWLKAWTWNUISDI-KSZLIROESA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906535 1211727958 /nfs/dbraw/zinc/72/79/58/1211727958.db2.gz ZWLKAWTWNUISDI-KSZLIROESA-N 2 2 366.458 0.520 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(O)cc2)C1 ZINC000930906535 1211727960 /nfs/dbraw/zinc/72/79/60/1211727960.db2.gz ZWLKAWTWNUISDI-KSZLIROESA-N 2 2 366.458 0.520 20 0 FCADLP CN(C)C(=O)c1ccc(NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931484506 1211757889 /nfs/dbraw/zinc/75/78/89/1211757889.db2.gz UYEWIKBEIQCENL-UHFFFAOYSA-N 2 2 362.474 0.715 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000931606809 1211762847 /nfs/dbraw/zinc/76/28/47/1211762847.db2.gz CGZYVANZLAJFRX-MRXNPFEDSA-N 2 2 356.430 0.824 20 0 FCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771973 /nfs/dbraw/zinc/77/19/73/1211771973.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771975 /nfs/dbraw/zinc/77/19/75/1211771975.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771979 /nfs/dbraw/zinc/77/19/79/1211771979.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000931725733 1211771982 /nfs/dbraw/zinc/77/19/82/1211771982.db2.gz DPDGEXVIOHQJSC-DLBZAZTESA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)C(=O)NCCO4)C2)CC1 ZINC000932620918 1211814051 /nfs/dbraw/zinc/81/40/51/1211814051.db2.gz DUHKXSNPQJRCSV-OAHLLOKOSA-N 2 2 372.469 0.707 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)C(=O)NCCO4)C2)CC1 ZINC000932620918 1211814054 /nfs/dbraw/zinc/81/40/54/1211814054.db2.gz DUHKXSNPQJRCSV-OAHLLOKOSA-N 2 2 372.469 0.707 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621671 1211814189 /nfs/dbraw/zinc/81/41/89/1211814189.db2.gz NGJIIBIPXNJDLA-KSSFIOAISA-N 2 2 374.489 0.506 20 0 FCADLP Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000932621671 1211814192 /nfs/dbraw/zinc/81/41/92/1211814192.db2.gz NGJIIBIPXNJDLA-KSSFIOAISA-N 2 2 374.489 0.506 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001111077875 1211865058 /nfs/dbraw/zinc/86/50/58/1211865058.db2.gz AUZDDHVXWVLWPG-JJXSEGSLSA-N 2 2 373.457 0.705 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)n1cc[nH+]c1 ZINC001111077875 1211865060 /nfs/dbraw/zinc/86/50/60/1211865060.db2.gz AUZDDHVXWVLWPG-JJXSEGSLSA-N 2 2 373.457 0.705 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146854 1211899910 /nfs/dbraw/zinc/89/99/10/1211899910.db2.gz CHJZKWNOUKNXQS-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111146854 1211899911 /nfs/dbraw/zinc/89/99/11/1211899911.db2.gz CHJZKWNOUKNXQS-VQHPVUNQSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001111150209 1211900946 /nfs/dbraw/zinc/90/09/46/1211900946.db2.gz KFCFVGVKYKPIHM-NCOADZHNSA-N 2 2 359.474 0.924 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001111150209 1211900951 /nfs/dbraw/zinc/90/09/51/1211900951.db2.gz KFCFVGVKYKPIHM-NCOADZHNSA-N 2 2 359.474 0.924 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095740841 1211952357 /nfs/dbraw/zinc/95/23/57/1211952357.db2.gz DPMMILZKVAQOBY-XBVQOTNRSA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095740841 1211952364 /nfs/dbraw/zinc/95/23/64/1211952364.db2.gz DPMMILZKVAQOBY-XBVQOTNRSA-N 2 2 368.441 0.866 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001095772405 1211987427 /nfs/dbraw/zinc/98/74/27/1211987427.db2.gz SXKDEHLKKQEIQD-HUHSQHJXSA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001095772405 1211987438 /nfs/dbraw/zinc/98/74/38/1211987438.db2.gz SXKDEHLKKQEIQD-HUHSQHJXSA-N 2 2 371.485 0.762 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)C1 ZINC000968605310 1212045687 /nfs/dbraw/zinc/04/56/87/1212045687.db2.gz SHFCRYJHTJSOBY-JLZZUVOBSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)C1 ZINC000968605310 1212045693 /nfs/dbraw/zinc/04/56/93/1212045693.db2.gz SHFCRYJHTJSOBY-JLZZUVOBSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)CC[N@@H+]1C ZINC000947782346 1212078060 /nfs/dbraw/zinc/07/80/60/1212078060.db2.gz USSKKJALYSOYSK-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)CC[N@H+]1C ZINC000947782346 1212078065 /nfs/dbraw/zinc/07/80/65/1212078065.db2.gz USSKKJALYSOYSK-GDBMZVCRSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nnnn1C1CC1 ZINC000188743805 1212111026 /nfs/dbraw/zinc/11/10/26/1212111026.db2.gz PQJNOWRMWOIEAG-ZDUSSCGKSA-N 2 2 364.498 0.736 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnnn1C1CC1 ZINC000188743805 1212111029 /nfs/dbraw/zinc/11/10/29/1212111029.db2.gz PQJNOWRMWOIEAG-ZDUSSCGKSA-N 2 2 364.498 0.736 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1)C1CCC1 ZINC000968833717 1212143548 /nfs/dbraw/zinc/14/35/48/1212143548.db2.gz FTHBQHZPZKJFRS-ZBFHGGJFSA-N 2 2 371.441 0.120 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1)C1CCC1 ZINC000968833717 1212143553 /nfs/dbraw/zinc/14/35/53/1212143553.db2.gz FTHBQHZPZKJFRS-ZBFHGGJFSA-N 2 2 371.441 0.120 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC000968836386 1212145671 /nfs/dbraw/zinc/14/56/71/1212145671.db2.gz RVIPAJDHSKUXTK-FMKPAKJESA-N 2 2 371.441 0.120 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC000968836386 1212145672 /nfs/dbraw/zinc/14/56/72/1212145672.db2.gz RVIPAJDHSKUXTK-FMKPAKJESA-N 2 2 371.441 0.120 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC000968867132 1212158509 /nfs/dbraw/zinc/15/85/09/1212158509.db2.gz SDSAZTMGOCTHCY-RBSFLKMASA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC000968867132 1212158517 /nfs/dbraw/zinc/15/85/17/1212158517.db2.gz SDSAZTMGOCTHCY-RBSFLKMASA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC000968867132 1212158525 /nfs/dbraw/zinc/15/85/25/1212158525.db2.gz SDSAZTMGOCTHCY-RBSFLKMASA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC000968867132 1212158532 /nfs/dbraw/zinc/15/85/32/1212158532.db2.gz SDSAZTMGOCTHCY-RBSFLKMASA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccn(C)n3)CC2)O1 ZINC000948542787 1212198563 /nfs/dbraw/zinc/19/85/63/1212198563.db2.gz VFRWXACMPQSRHV-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccn(C)n3)CC2)O1 ZINC000948542787 1212198570 /nfs/dbraw/zinc/19/85/70/1212198570.db2.gz VFRWXACMPQSRHV-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccn(C)n3)CC2)O1 ZINC000948542787 1212198573 /nfs/dbraw/zinc/19/85/73/1212198573.db2.gz VFRWXACMPQSRHV-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)CC2)O1 ZINC000948542787 1212198576 /nfs/dbraw/zinc/19/85/76/1212198576.db2.gz VFRWXACMPQSRHV-KBAYOESNSA-N 2 2 363.506 0.952 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277524 1212202380 /nfs/dbraw/zinc/20/23/80/1212202380.db2.gz WDTIAZWJVCZKLV-VQHPVUNQSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277524 1212202385 /nfs/dbraw/zinc/20/23/85/1212202385.db2.gz WDTIAZWJVCZKLV-VQHPVUNQSA-N 2 2 368.522 0.447 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948638879 1212214144 /nfs/dbraw/zinc/21/41/44/1212214144.db2.gz JDIGNUXMFMLVON-KSZLIROESA-N 2 2 369.506 0.171 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948638879 1212214147 /nfs/dbraw/zinc/21/41/47/1212214147.db2.gz JDIGNUXMFMLVON-KSZLIROESA-N 2 2 369.506 0.171 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000948769669 1212234683 /nfs/dbraw/zinc/23/46/83/1212234683.db2.gz GHZYFQYCAQFBQS-HUUCEWRRSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001111282390 1212235792 /nfs/dbraw/zinc/23/57/92/1212235792.db2.gz NWUWVBOODKOBTJ-DZUCGIPZSA-N 2 2 360.502 0.718 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001111282390 1212235796 /nfs/dbraw/zinc/23/57/96/1212235796.db2.gz NWUWVBOODKOBTJ-DZUCGIPZSA-N 2 2 360.502 0.718 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2c3ccccc3CC[NH+]2CCCO)O1 ZINC000948929759 1212262718 /nfs/dbraw/zinc/26/27/18/1212262718.db2.gz SNQVFRDJTSQGKX-AYOQOUSVSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2c3ccccc3CC[NH+]2CCCO)O1 ZINC000948929759 1212262722 /nfs/dbraw/zinc/26/27/22/1212262722.db2.gz SNQVFRDJTSQGKX-AYOQOUSVSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2c3ccccc3CC[N@H+]2CCCO)O1 ZINC000948929759 1212262724 /nfs/dbraw/zinc/26/27/24/1212262724.db2.gz SNQVFRDJTSQGKX-AYOQOUSVSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2c3ccccc3CC[N@@H+]2CCCO)O1 ZINC000948929759 1212262730 /nfs/dbraw/zinc/26/27/30/1212262730.db2.gz SNQVFRDJTSQGKX-AYOQOUSVSA-N 2 2 361.486 0.804 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000949208735 1212324468 /nfs/dbraw/zinc/32/44/68/1212324468.db2.gz ZVNOVIDXPYOWLK-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006898020 1212357317 /nfs/dbraw/zinc/35/73/17/1212357317.db2.gz KFDZFAUNNHVCKR-NUEKZKHPSA-N 2 2 371.485 0.583 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000949532896 1212403277 /nfs/dbraw/zinc/40/32/77/1212403277.db2.gz OMIMFWHJBKXRLA-XLNGHYISSA-N 2 2 361.490 0.656 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000949532896 1212403279 /nfs/dbraw/zinc/40/32/79/1212403279.db2.gz OMIMFWHJBKXRLA-XLNGHYISSA-N 2 2 361.490 0.656 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001007482399 1212503724 /nfs/dbraw/zinc/50/37/24/1212503724.db2.gz HQJQBALWQRRKGL-KXBFYZLASA-N 2 2 359.474 0.935 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007499040 1212509811 /nfs/dbraw/zinc/50/98/11/1212509811.db2.gz AFIQKELKZNFCLA-VPWXQRGCSA-N 2 2 371.485 0.791 20 0 FCADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001006455625 1212550687 /nfs/dbraw/zinc/55/06/87/1212550687.db2.gz IZBYTEMEVWAZDH-FVQBIDKESA-N 2 2 371.485 0.583 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001007701258 1212557575 /nfs/dbraw/zinc/55/75/75/1212557575.db2.gz GIMFUNGDTVKNBO-QKLQHJQFSA-N 2 2 371.485 0.722 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001007828487 1212586550 /nfs/dbraw/zinc/58/65/50/1212586550.db2.gz URFRWTASHJDWMH-LPHOPBHVSA-N 2 2 370.457 0.894 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000950704664 1212635035 /nfs/dbraw/zinc/63/50/35/1212635035.db2.gz VEZFJMBIDCKGLW-IJEWVQPXSA-N 2 2 360.458 0.548 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000950704664 1212635038 /nfs/dbraw/zinc/63/50/38/1212635038.db2.gz VEZFJMBIDCKGLW-IJEWVQPXSA-N 2 2 360.458 0.548 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001691735330 1212643322 /nfs/dbraw/zinc/64/33/22/1212643322.db2.gz FKRKJEMHVHMOQK-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1CC(=O)N1CCC1 ZINC001691735330 1212643325 /nfs/dbraw/zinc/64/33/25/1212643325.db2.gz FKRKJEMHVHMOQK-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001008481334 1212705792 /nfs/dbraw/zinc/70/57/92/1212705792.db2.gz LOIUHPMYHCGMCJ-DOXZYTNZSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001008481334 1212705795 /nfs/dbraw/zinc/70/57/95/1212705795.db2.gz LOIUHPMYHCGMCJ-DOXZYTNZSA-N 2 2 359.474 0.791 20 0 FCADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602732 1212723786 /nfs/dbraw/zinc/72/37/86/1212723786.db2.gz LEKJAXWCDUNFKL-KSZLIROESA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602732 1212723791 /nfs/dbraw/zinc/72/37/91/1212723791.db2.gz LEKJAXWCDUNFKL-KSZLIROESA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602732 1212723795 /nfs/dbraw/zinc/72/37/95/1212723795.db2.gz LEKJAXWCDUNFKL-KSZLIROESA-N 2 2 358.486 0.658 20 0 FCADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008602732 1212723803 /nfs/dbraw/zinc/72/38/03/1212723803.db2.gz LEKJAXWCDUNFKL-KSZLIROESA-N 2 2 358.486 0.658 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21)C1CC1 ZINC001221616125 1225398237 /nfs/dbraw/zinc/39/82/37/1225398237.db2.gz FNIGJARQHIDLSV-ZHALLVOQSA-N 2 2 362.518 0.776 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21)C1CC1 ZINC001221616125 1225398241 /nfs/dbraw/zinc/39/82/41/1225398241.db2.gz FNIGJARQHIDLSV-ZHALLVOQSA-N 2 2 362.518 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC[N@@H+]1C ZINC001009109991 1212804315 /nfs/dbraw/zinc/80/43/15/1212804315.db2.gz DSQKXEZAAABOHM-QCODTGAPSA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)CC[N@H+]1C ZINC001009109991 1212804317 /nfs/dbraw/zinc/80/43/17/1212804317.db2.gz DSQKXEZAAABOHM-QCODTGAPSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(c3cc[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001111372999 1212827879 /nfs/dbraw/zinc/82/78/79/1212827879.db2.gz BOPADMKUNZAOLN-FCEWJHQRSA-N 2 2 361.490 0.963 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@]2(CO)CCCN(c3cc[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001111372999 1212827880 /nfs/dbraw/zinc/82/78/80/1212827880.db2.gz BOPADMKUNZAOLN-FCEWJHQRSA-N 2 2 361.490 0.963 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620661 1225401996 /nfs/dbraw/zinc/40/19/96/1225401996.db2.gz RGPANLYZZVMBCM-YXJHDRRASA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620661 1225401999 /nfs/dbraw/zinc/40/19/99/1225401999.db2.gz RGPANLYZZVMBCM-YXJHDRRASA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620661 1225402002 /nfs/dbraw/zinc/40/20/02/1225402002.db2.gz RGPANLYZZVMBCM-YXJHDRRASA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001221620661 1225402009 /nfs/dbraw/zinc/40/20/09/1225402009.db2.gz RGPANLYZZVMBCM-YXJHDRRASA-N 2 2 362.518 0.918 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000193834040 1212873525 /nfs/dbraw/zinc/87/35/25/1212873525.db2.gz USEJQZOPTXBFMO-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000193834040 1212873528 /nfs/dbraw/zinc/87/35/28/1212873528.db2.gz USEJQZOPTXBFMO-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000952344943 1212940272 /nfs/dbraw/zinc/94/02/72/1212940272.db2.gz ZZMWJLDBKPDEJB-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000952344943 1212940276 /nfs/dbraw/zinc/94/02/76/1212940276.db2.gz ZZMWJLDBKPDEJB-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2)C1CC1 ZINC001111408091 1212993025 /nfs/dbraw/zinc/99/30/25/1212993025.db2.gz IMBPRUMDSWKAMY-ZACQAIPSSA-N 2 2 359.474 0.924 20 0 FCADLP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2)C1CC1 ZINC001111408091 1212993028 /nfs/dbraw/zinc/99/30/28/1212993028.db2.gz IMBPRUMDSWKAMY-ZACQAIPSSA-N 2 2 359.474 0.924 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnn1C ZINC001111410915 1212994339 /nfs/dbraw/zinc/99/43/39/1212994339.db2.gz APZJGEFTYXCOEQ-IDCNUPLLSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnn1C ZINC001111410915 1212994342 /nfs/dbraw/zinc/99/43/42/1212994342.db2.gz APZJGEFTYXCOEQ-IDCNUPLLSA-N 2 2 361.490 0.610 20 0 FCADLP Cc1nccnc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411511 1212995875 /nfs/dbraw/zinc/99/58/75/1212995875.db2.gz QGOCOEQTBHPBSZ-MYZZLAAOSA-N 2 2 373.501 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411511 1212995879 /nfs/dbraw/zinc/99/58/79/1212995879.db2.gz QGOCOEQTBHPBSZ-MYZZLAAOSA-N 2 2 373.501 0.975 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411906 1213009623 /nfs/dbraw/zinc/00/96/23/1213009623.db2.gz WSRWDTJASRJDIB-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411906 1213009627 /nfs/dbraw/zinc/00/96/27/1213009627.db2.gz WSRWDTJASRJDIB-VQHPVUNQSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC000954095894 1213039782 /nfs/dbraw/zinc/03/97/82/1213039782.db2.gz WIZLLSJWTFTAOD-RHSMWYFYSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(N(C)C(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC000954095894 1213039785 /nfs/dbraw/zinc/03/97/85/1213039785.db2.gz WIZLLSJWTFTAOD-RHSMWYFYSA-N 2 2 361.490 0.752 20 0 FCADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000954357389 1213058623 /nfs/dbraw/zinc/05/86/23/1213058623.db2.gz SOPGXNVVALYTGH-BRWVUGGUSA-N 2 2 371.485 0.535 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@@H+]1C ZINC000955268254 1213137503 /nfs/dbraw/zinc/13/75/03/1213137503.db2.gz OOGHGWDFXFDIEZ-BPLDGKMQSA-N 2 2 359.474 0.839 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@H+]1C ZINC000955268254 1213137505 /nfs/dbraw/zinc/13/75/05/1213137505.db2.gz OOGHGWDFXFDIEZ-BPLDGKMQSA-N 2 2 359.474 0.839 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000955339176 1213140919 /nfs/dbraw/zinc/14/09/19/1213140919.db2.gz VYIWMGXPYREKKM-NUEKZKHPSA-N 2 2 359.474 0.677 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000955339176 1213140924 /nfs/dbraw/zinc/14/09/24/1213140924.db2.gz VYIWMGXPYREKKM-NUEKZKHPSA-N 2 2 359.474 0.677 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000956104103 1213172808 /nfs/dbraw/zinc/17/28/08/1213172808.db2.gz UNDXCJFHQSHSGN-ARFHVFGLSA-N 2 2 370.457 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@@H+]1C ZINC000956325207 1213185834 /nfs/dbraw/zinc/18/58/34/1213185834.db2.gz NODFGSWXJSUPKW-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3C[NH+](C)CCO3)CC2)CC[N@H+]1C ZINC000956325207 1213185840 /nfs/dbraw/zinc/18/58/40/1213185840.db2.gz NODFGSWXJSUPKW-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC[NH+]1C ZINC000956325207 1213185843 /nfs/dbraw/zinc/18/58/43/1213185843.db2.gz NODFGSWXJSUPKW-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC[NH+]1C ZINC000956325207 1213185846 /nfs/dbraw/zinc/18/58/46/1213185846.db2.gz NODFGSWXJSUPKW-BZUAXINKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)C4CCC4)CC3)C2)CC[N@@H+]1C ZINC000956571625 1213205456 /nfs/dbraw/zinc/20/54/56/1213205456.db2.gz QZUAENMGPKZKGA-KBAYOESNSA-N 2 2 362.518 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)C4CCC4)CC3)C2)CC[N@H+]1C ZINC000956571625 1213205461 /nfs/dbraw/zinc/20/54/61/1213205461.db2.gz QZUAENMGPKZKGA-KBAYOESNSA-N 2 2 362.518 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)COC)C3)CC2)CC[N@@H+]1C ZINC000956593810 1213207353 /nfs/dbraw/zinc/20/73/53/1213207353.db2.gz CSNVYKQNTNVIDD-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(C(=O)COC)C3)CC2)CC[N@H+]1C ZINC000956593810 1213207355 /nfs/dbraw/zinc/20/73/55/1213207355.db2.gz CSNVYKQNTNVIDD-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP c1nc(N2CCCC2)ncc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789403 1213216147 /nfs/dbraw/zinc/21/61/47/1213216147.db2.gz FCYBLSXZNDMJHK-LJQANCHMSA-N 2 2 374.533 0.963 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000957071583 1213244603 /nfs/dbraw/zinc/24/46/03/1213244603.db2.gz RJLUYNILFNHXRP-DJIMGWMZSA-N 2 2 361.490 0.800 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000957071583 1213244614 /nfs/dbraw/zinc/24/46/14/1213244614.db2.gz RJLUYNILFNHXRP-DJIMGWMZSA-N 2 2 361.490 0.800 20 0 FCADLP 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Cc1noc(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000960377876 1213732820 /nfs/dbraw/zinc/73/28/20/1213732820.db2.gz WTEFVYVOBCBCBI-MAKQCAJESA-N 2 2 356.430 0.884 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001221789916 1225480985 /nfs/dbraw/zinc/48/09/85/1225480985.db2.gz AJNAHMPEUVYXPQ-QZTJIDSGSA-N 2 2 362.518 0.777 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC4CCC4)C[C@H]32)CC1 ZINC001221789916 1225480990 /nfs/dbraw/zinc/48/09/90/1225480990.db2.gz AJNAHMPEUVYXPQ-QZTJIDSGSA-N 2 2 362.518 0.777 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)CC[N@@H+]1C ZINC001010899425 1213822716 /nfs/dbraw/zinc/82/27/16/1213822716.db2.gz MYPAOOHDLMUJFP-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)CC[N@H+]1C ZINC001010899425 1213822718 /nfs/dbraw/zinc/82/27/18/1213822718.db2.gz MYPAOOHDLMUJFP-GDBMZVCRSA-N 2 2 359.474 0.743 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011209278 1213849867 /nfs/dbraw/zinc/84/98/67/1213849867.db2.gz SJNYCVHCUBYKTF-GDBMZVCRSA-N 2 2 360.458 0.644 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011209278 1213849869 /nfs/dbraw/zinc/84/98/69/1213849869.db2.gz SJNYCVHCUBYKTF-GDBMZVCRSA-N 2 2 360.458 0.644 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001015723162 1213992140 /nfs/dbraw/zinc/99/21/40/1213992140.db2.gz MRYWONVBZCIQKR-BZUAXINKSA-N 2 2 357.462 0.623 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001015723162 1213992148 /nfs/dbraw/zinc/99/21/48/1213992148.db2.gz MRYWONVBZCIQKR-BZUAXINKSA-N 2 2 357.462 0.623 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1 ZINC001015722314 1213992522 /nfs/dbraw/zinc/99/25/22/1213992522.db2.gz YXYUJYOUJQJJNJ-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001015722314 1213992527 /nfs/dbraw/zinc/99/25/27/1213992527.db2.gz YXYUJYOUJQJJNJ-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N1CCC1)CC2 ZINC001095927743 1213998411 /nfs/dbraw/zinc/99/84/11/1213998411.db2.gz LBXAZUMRPBXDNW-MVJTYMMSSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N1CCC1)CC2 ZINC001095927743 1213998417 /nfs/dbraw/zinc/99/84/17/1213998417.db2.gz LBXAZUMRPBXDNW-MVJTYMMSSA-N 2 2 371.485 0.708 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nncn3C)C2)O1 ZINC001017154924 1214076386 /nfs/dbraw/zinc/07/63/86/1214076386.db2.gz WTOZAMGBPPWXOL-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3nncn3C)C2)O1 ZINC001017154924 1214076390 /nfs/dbraw/zinc/07/63/90/1214076390.db2.gz WTOZAMGBPPWXOL-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3nncn3C)C2)O1 ZINC001017154924 1214076402 /nfs/dbraw/zinc/07/64/02/1214076402.db2.gz WTOZAMGBPPWXOL-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3nncn3C)C2)O1 ZINC001017154924 1214076411 /nfs/dbraw/zinc/07/64/11/1214076411.db2.gz WTOZAMGBPPWXOL-OWCLPIDISA-N 2 2 364.494 0.205 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001017543298 1214112165 /nfs/dbraw/zinc/11/21/65/1214112165.db2.gz XLTBPYJYUTXDDU-INMHGKMJSA-N 2 2 357.458 0.882 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001017543298 1214112171 /nfs/dbraw/zinc/11/21/71/1214112171.db2.gz XLTBPYJYUTXDDU-INMHGKMJSA-N 2 2 357.458 0.882 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000961377003 1214172996 /nfs/dbraw/zinc/17/29/96/1214172996.db2.gz VDQWJLVAFNXIFX-BZUAXINKSA-N 2 2 359.474 0.949 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000961377003 1214173001 /nfs/dbraw/zinc/17/30/01/1214173001.db2.gz VDQWJLVAFNXIFX-BZUAXINKSA-N 2 2 359.474 0.949 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)CC[N@@H+]1C ZINC001019333938 1214232292 /nfs/dbraw/zinc/23/22/92/1214232292.db2.gz DOPBHYFBMHTUBW-LSDHHAIUSA-N 2 2 359.474 0.743 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)CC[N@H+]1C ZINC001019333938 1214232293 /nfs/dbraw/zinc/23/22/93/1214232293.db2.gz DOPBHYFBMHTUBW-LSDHHAIUSA-N 2 2 359.474 0.743 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872327 1225515989 /nfs/dbraw/zinc/51/59/89/1225515989.db2.gz XJWPHUZSGVPGCN-IXDOHACOSA-N 2 2 366.506 0.286 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872327 1225515995 /nfs/dbraw/zinc/51/59/95/1225515995.db2.gz XJWPHUZSGVPGCN-IXDOHACOSA-N 2 2 366.506 0.286 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000961836822 1214324983 /nfs/dbraw/zinc/32/49/83/1214324983.db2.gz DUQQABUJSKGJEW-NQNKBUKLSA-N 2 2 371.485 0.772 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@@H]3C2)C1 ZINC000961836822 1214324991 /nfs/dbraw/zinc/32/49/91/1214324991.db2.gz DUQQABUJSKGJEW-NQNKBUKLSA-N 2 2 371.485 0.772 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000961836822 1214324995 /nfs/dbraw/zinc/32/49/95/1214324995.db2.gz DUQQABUJSKGJEW-NQNKBUKLSA-N 2 2 371.485 0.772 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@@H]3C2)C1 ZINC000961836822 1214325005 /nfs/dbraw/zinc/32/50/05/1214325005.db2.gz DUQQABUJSKGJEW-NQNKBUKLSA-N 2 2 371.485 0.772 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncnn3C(C)(C)C)C2)O1 ZINC001020287703 1214329307 /nfs/dbraw/zinc/32/93/07/1214329307.db2.gz HRODQKWQLITRAD-KBUPBQIOSA-N 2 2 364.494 0.489 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncnn3C(C)(C)C)C2)O1 ZINC001020287703 1214329313 /nfs/dbraw/zinc/32/93/13/1214329313.db2.gz HRODQKWQLITRAD-KBUPBQIOSA-N 2 2 364.494 0.489 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001038265003 1214349606 /nfs/dbraw/zinc/34/96/06/1214349606.db2.gz GAQLGUDABXPZNB-QLFBSQMISA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CCc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001038265003 1214349614 /nfs/dbraw/zinc/34/96/14/1214349614.db2.gz GAQLGUDABXPZNB-QLFBSQMISA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001038265003 1214349621 /nfs/dbraw/zinc/34/96/21/1214349621.db2.gz GAQLGUDABXPZNB-QLFBSQMISA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCc2nnn(C(C)(C)C)n2)CC[NH+]1C ZINC001038265003 1214349628 /nfs/dbraw/zinc/34/96/28/1214349628.db2.gz GAQLGUDABXPZNB-QLFBSQMISA-N 2 2 363.510 0.501 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221895212 1225525536 /nfs/dbraw/zinc/52/55/36/1225525536.db2.gz ZTXKPNPEDLHFDA-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001221895212 1225525539 /nfs/dbraw/zinc/52/55/39/1225525539.db2.gz ZTXKPNPEDLHFDA-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCc2[nH]cc[nH+]2)O1 ZINC001067299912 1214378686 /nfs/dbraw/zinc/37/86/86/1214378686.db2.gz PWEQHLWKLQNARL-HUUCEWRRSA-N 2 2 365.478 0.368 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)CCCN(C)C(=O)CCc2[nH]cc[nH+]2)O1 ZINC001067299912 1214378693 /nfs/dbraw/zinc/37/86/93/1214378693.db2.gz PWEQHLWKLQNARL-HUUCEWRRSA-N 2 2 365.478 0.368 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000962065336 1214431615 /nfs/dbraw/zinc/43/16/15/1214431615.db2.gz ZSQNOKSFQIYJRF-ZHCJQAHYSA-N 2 2 371.485 0.535 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000962065336 1214431618 /nfs/dbraw/zinc/43/16/18/1214431618.db2.gz ZSQNOKSFQIYJRF-ZHCJQAHYSA-N 2 2 371.485 0.535 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894904 1225526322 /nfs/dbraw/zinc/52/63/22/1225526322.db2.gz NFBHKFYJLXPDBS-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894904 1225526327 /nfs/dbraw/zinc/52/63/27/1225526327.db2.gz NFBHKFYJLXPDBS-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ncnn2C)C3)CC[N@@H+]1C ZINC001040209555 1214485204 /nfs/dbraw/zinc/48/52/04/1214485204.db2.gz KLYMIKZOYBGNMR-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ncnn2C)C3)CC[N@H+]1C ZINC001040209555 1214485207 /nfs/dbraw/zinc/48/52/07/1214485207.db2.gz KLYMIKZOYBGNMR-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ncnn2C)C3)CC[NH+]1C ZINC001040209555 1214485211 /nfs/dbraw/zinc/48/52/11/1214485211.db2.gz KLYMIKZOYBGNMR-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ncnn2C)C3)CC[NH+]1C ZINC001040209555 1214485215 /nfs/dbraw/zinc/48/52/15/1214485215.db2.gz KLYMIKZOYBGNMR-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[NH+](C)CC4)C[C@H]21 ZINC001040547482 1214530855 /nfs/dbraw/zinc/53/08/55/1214530855.db2.gz MHXZISOVWDRDKE-BMGDILEWSA-N 2 2 370.501 0.596 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[NH+](C)CC4)C[C@H]21 ZINC001040547482 1214530859 /nfs/dbraw/zinc/53/08/59/1214530859.db2.gz MHXZISOVWDRDKE-BMGDILEWSA-N 2 2 370.501 0.596 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](C)CC4)C[C@H]21 ZINC001040547482 1214530862 /nfs/dbraw/zinc/53/08/62/1214530862.db2.gz MHXZISOVWDRDKE-BMGDILEWSA-N 2 2 370.501 0.596 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](C)CC4)C[C@H]21 ZINC001040547482 1214530867 /nfs/dbraw/zinc/53/08/67/1214530867.db2.gz MHXZISOVWDRDKE-BMGDILEWSA-N 2 2 370.501 0.596 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2nncn2C)CC3)CC[N@@H+]1C ZINC001040707806 1214570715 /nfs/dbraw/zinc/57/07/15/1214570715.db2.gz JEXTZWMCCCGNOX-HZPDHXFCSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2nncn2C)CC3)CC[N@H+]1C ZINC001040707806 1214570724 /nfs/dbraw/zinc/57/07/24/1214570724.db2.gz JEXTZWMCCCGNOX-HZPDHXFCSA-N 2 2 360.506 0.970 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)cc(C)[nH+]1 ZINC001041065326 1214684618 /nfs/dbraw/zinc/68/46/18/1214684618.db2.gz PZAZBPWGQZFTEA-BZUAXINKSA-N 2 2 361.490 0.888 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)cc(C)[nH+]1 ZINC001041065326 1214684623 /nfs/dbraw/zinc/68/46/23/1214684623.db2.gz PZAZBPWGQZFTEA-BZUAXINKSA-N 2 2 361.490 0.888 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221946892 1225547039 /nfs/dbraw/zinc/54/70/39/1225547039.db2.gz HUMNRYSKDLFYMV-IAGOWNOFSA-N 2 2 366.506 0.014 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221946892 1225547042 /nfs/dbraw/zinc/54/70/42/1225547042.db2.gz HUMNRYSKDLFYMV-IAGOWNOFSA-N 2 2 366.506 0.014 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c(C)[nH+]1 ZINC000963418229 1214807148 /nfs/dbraw/zinc/80/71/48/1214807148.db2.gz FQSHWCYRZNTIFF-XHSDSOJGSA-N 2 2 360.458 0.260 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)c(C)[nH+]1 ZINC000963418229 1214807153 /nfs/dbraw/zinc/80/71/53/1214807153.db2.gz FQSHWCYRZNTIFF-XHSDSOJGSA-N 2 2 360.458 0.260 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c(C)[nH+]1 ZINC000963418213 1214807265 /nfs/dbraw/zinc/80/72/65/1214807265.db2.gz FQSHWCYRZNTIFF-OAGGEKHMSA-N 2 2 360.458 0.260 20 0 FCADLP Cc1cc(C)c(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c(C)[nH+]1 ZINC000963418213 1214807269 /nfs/dbraw/zinc/80/72/69/1214807269.db2.gz FQSHWCYRZNTIFF-OAGGEKHMSA-N 2 2 360.458 0.260 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989063 1225564494 /nfs/dbraw/zinc/56/44/94/1225564494.db2.gz UDWHGUIHUPAQDO-HYVNUMGLSA-N 2 2 361.490 0.930 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001221989063 1225564500 /nfs/dbraw/zinc/56/45/00/1225564500.db2.gz UDWHGUIHUPAQDO-HYVNUMGLSA-N 2 2 361.490 0.930 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC000965159924 1215026721 /nfs/dbraw/zinc/02/67/21/1215026721.db2.gz HMPNQGIJLSGPLQ-QXZDORHBSA-N 2 2 357.458 0.429 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001222018051 1225577708 /nfs/dbraw/zinc/57/77/08/1225577708.db2.gz KICDVWWMUQTRDV-IAOVAPTHSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001222018051 1225577712 /nfs/dbraw/zinc/57/77/12/1225577712.db2.gz KICDVWWMUQTRDV-IAOVAPTHSA-N 2 2 359.474 0.639 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@@H+]1C ZINC000967851515 1215261807 /nfs/dbraw/zinc/26/18/07/1215261807.db2.gz IXVZJZUKTUKFKY-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3C[NH+](C)CCO3)C2)CC[N@H+]1C ZINC000967851515 1215261810 /nfs/dbraw/zinc/26/18/10/1215261810.db2.gz IXVZJZUKTUKFKY-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC[NH+]1C ZINC000967851515 1215261813 /nfs/dbraw/zinc/26/18/13/1215261813.db2.gz IXVZJZUKTUKFKY-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC(N(CC)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC[NH+]1C ZINC000967851515 1215261814 /nfs/dbraw/zinc/26/18/14/1215261814.db2.gz IXVZJZUKTUKFKY-BBWFWOEESA-N 2 2 366.506 0.107 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001222093859 1225598970 /nfs/dbraw/zinc/59/89/70/1225598970.db2.gz REBVYRYXKQQLGQ-HZPDHXFCSA-N 2 2 360.462 0.221 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001222093859 1225598971 /nfs/dbraw/zinc/59/89/71/1225598971.db2.gz REBVYRYXKQQLGQ-HZPDHXFCSA-N 2 2 360.462 0.221 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098571 1225599089 /nfs/dbraw/zinc/59/90/89/1225599089.db2.gz KGMZOCJHVHZIAA-HUUCEWRRSA-N 2 2 362.478 0.514 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098571 1225599090 /nfs/dbraw/zinc/59/90/90/1225599090.db2.gz KGMZOCJHVHZIAA-HUUCEWRRSA-N 2 2 362.478 0.514 20 0 FCADLP COc1cc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)on1 ZINC001000836156 1216118702 /nfs/dbraw/zinc/11/87/02/1216118702.db2.gz DXOHFSIFWHIXHC-CZUORRHYSA-N 2 2 364.446 0.651 20 0 FCADLP COc1cc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)on1 ZINC001000836156 1216118706 /nfs/dbraw/zinc/11/87/06/1216118706.db2.gz DXOHFSIFWHIXHC-CZUORRHYSA-N 2 2 364.446 0.651 20 0 FCADLP COc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001000836156 1216118707 /nfs/dbraw/zinc/11/87/07/1216118707.db2.gz DXOHFSIFWHIXHC-CZUORRHYSA-N 2 2 364.446 0.651 20 0 FCADLP COc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)on1 ZINC001000836156 1216118710 /nfs/dbraw/zinc/11/87/10/1216118710.db2.gz DXOHFSIFWHIXHC-CZUORRHYSA-N 2 2 364.446 0.651 20 0 FCADLP CCn1ccc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001000837581 1216119599 /nfs/dbraw/zinc/11/95/99/1216119599.db2.gz NIIUMWJLBFSGNX-CRAIPNDOSA-N 2 2 361.490 0.870 20 0 FCADLP CCn1ccc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001000837581 1216119600 /nfs/dbraw/zinc/11/96/00/1216119600.db2.gz NIIUMWJLBFSGNX-CRAIPNDOSA-N 2 2 361.490 0.870 20 0 FCADLP CCn1ccc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001000837581 1216119601 /nfs/dbraw/zinc/11/96/01/1216119601.db2.gz NIIUMWJLBFSGNX-CRAIPNDOSA-N 2 2 361.490 0.870 20 0 FCADLP CCn1ccc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001000837581 1216119602 /nfs/dbraw/zinc/11/96/02/1216119602.db2.gz NIIUMWJLBFSGNX-CRAIPNDOSA-N 2 2 361.490 0.870 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001000888643 1216121618 /nfs/dbraw/zinc/12/16/18/1216121618.db2.gz SJNVCTGFZKGHPC-NCOADZHNSA-N 2 2 357.458 0.542 20 0 FCADLP C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC1 ZINC001000895198 1216122157 /nfs/dbraw/zinc/12/21/57/1216122157.db2.gz IYZAMSZJPBWGAO-IKGGRYGDSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+](CCn2cncn2)CC1 ZINC001001158740 1216133744 /nfs/dbraw/zinc/13/37/44/1216133744.db2.gz GZDFCNNADBYXIV-HZPDHXFCSA-N 2 2 355.446 0.564 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+](CCn2cncn2)CC1 ZINC001001158740 1216133745 /nfs/dbraw/zinc/13/37/45/1216133745.db2.gz GZDFCNNADBYXIV-HZPDHXFCSA-N 2 2 355.446 0.564 20 0 FCADLP CN(C(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C1CC1 ZINC001001159431 1216133779 /nfs/dbraw/zinc/13/37/79/1216133779.db2.gz LWSGHLTYDLEWJA-IAGOWNOFSA-N 2 2 371.485 0.893 20 0 FCADLP CN(C(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C1CC1 ZINC001001159431 1216133780 /nfs/dbraw/zinc/13/37/80/1216133780.db2.gz LWSGHLTYDLEWJA-IAGOWNOFSA-N 2 2 371.485 0.893 20 0 FCADLP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001533055 1216236606 /nfs/dbraw/zinc/23/66/06/1216236606.db2.gz NWFIMKHAGZALEG-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001001533055 1216236615 /nfs/dbraw/zinc/23/66/15/1216236615.db2.gz NWFIMKHAGZALEG-XJKCOSOUSA-N 2 2 365.478 0.986 20 0 FCADLP CCn1nncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531667 1216237353 /nfs/dbraw/zinc/23/73/53/1216237353.db2.gz GLTXQDWDJJBIAR-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1nncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531667 1216237371 /nfs/dbraw/zinc/23/73/71/1216237371.db2.gz GLTXQDWDJJBIAR-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N1CCC1)CC2 ZINC001050670066 1216347251 /nfs/dbraw/zinc/34/72/51/1216347251.db2.gz ZFFIIOUJRBLBGW-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001223039348 1225675299 /nfs/dbraw/zinc/67/52/99/1225675299.db2.gz HBQLLMFWVWNHQV-KEYYUXOJSA-N 2 2 366.462 0.280 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001223039348 1225675301 /nfs/dbraw/zinc/67/53/01/1225675301.db2.gz HBQLLMFWVWNHQV-KEYYUXOJSA-N 2 2 366.462 0.280 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC001052392736 1216546269 /nfs/dbraw/zinc/54/62/69/1216546269.db2.gz BPMZEQIRCPIJRY-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC001052392736 1216546275 /nfs/dbraw/zinc/54/62/75/1216546275.db2.gz BPMZEQIRCPIJRY-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3nc(N(C)C)no3)CC2)CC[NH+]1C ZINC001052392736 1216546286 /nfs/dbraw/zinc/54/62/86/1216546286.db2.gz BPMZEQIRCPIJRY-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3nc(N(C)C)no3)CC2)CC[NH+]1C ZINC001052392736 1216546291 /nfs/dbraw/zinc/54/62/91/1216546291.db2.gz BPMZEQIRCPIJRY-QLFBSQMISA-N 2 2 364.494 0.947 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223378130 1225700924 /nfs/dbraw/zinc/70/09/24/1225700924.db2.gz FTAFNLIUHULZHJ-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)[C@H]2C1 ZINC001223378130 1225700926 /nfs/dbraw/zinc/70/09/26/1225700926.db2.gz FTAFNLIUHULZHJ-CABCVRRESA-N 2 2 363.462 0.878 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404873 1217315878 /nfs/dbraw/zinc/31/58/78/1217315878.db2.gz XBZPLHUPBNNJAU-SZVBFZGTSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404873 1217315881 /nfs/dbraw/zinc/31/58/81/1217315881.db2.gz XBZPLHUPBNNJAU-SZVBFZGTSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404873 1217315887 /nfs/dbraw/zinc/31/58/87/1217315887.db2.gz XBZPLHUPBNNJAU-SZVBFZGTSA-N 2 2 361.490 0.564 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccn(C)n4)C3)C2)O1 ZINC001041404873 1217315891 /nfs/dbraw/zinc/31/58/91/1217315891.db2.gz XBZPLHUPBNNJAU-SZVBFZGTSA-N 2 2 361.490 0.564 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911762 1225744821 /nfs/dbraw/zinc/74/48/21/1225744821.db2.gz JZCPDEOAZZIVAP-WBVHZDCISA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911762 1225744823 /nfs/dbraw/zinc/74/48/23/1225744823.db2.gz JZCPDEOAZZIVAP-WBVHZDCISA-N 2 2 361.490 0.658 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)nn1 ZINC001223916773 1225746487 /nfs/dbraw/zinc/74/64/87/1225746487.db2.gz QDWQGASIYOOWEC-WBVHZDCISA-N 2 2 364.494 0.299 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)nn1 ZINC001223916773 1225746490 /nfs/dbraw/zinc/74/64/90/1225746490.db2.gz QDWQGASIYOOWEC-WBVHZDCISA-N 2 2 364.494 0.299 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)cc(C)[nH+]1 ZINC001042862069 1217488340 /nfs/dbraw/zinc/48/83/40/1217488340.db2.gz BMFOVGHZLYZYPG-HUUCEWRRSA-N 2 2 359.474 0.763 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223977562 1225750059 /nfs/dbraw/zinc/75/00/59/1225750059.db2.gz GNRSVOPLVLRIFC-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223977562 1225750061 /nfs/dbraw/zinc/75/00/61/1225750061.db2.gz GNRSVOPLVLRIFC-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223977562 1225750064 /nfs/dbraw/zinc/75/00/64/1225750064.db2.gz GNRSVOPLVLRIFC-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(COC)no3)[C@H]2C1 ZINC001223977562 1225750069 /nfs/dbraw/zinc/75/00/69/1225750069.db2.gz GNRSVOPLVLRIFC-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)[nH+]1 ZINC001043227805 1217594955 /nfs/dbraw/zinc/59/49/55/1217594955.db2.gz PESDYMMDHWYGGS-IUODEOHRSA-N 2 2 361.494 0.847 20 0 FCADLP CCc1nc(N2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)cc(C)[nH+]1 ZINC001043728567 1217720784 /nfs/dbraw/zinc/72/07/84/1217720784.db2.gz BHUOEUDCKTWBIQ-JKSUJKDBSA-N 2 2 359.474 0.859 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001043993206 1217788612 /nfs/dbraw/zinc/78/86/12/1217788612.db2.gz RYQIDDNMAJHDGA-ZACQAIPSSA-N 2 2 361.490 0.942 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001043993206 1217788616 /nfs/dbraw/zinc/78/86/16/1217788616.db2.gz RYQIDDNMAJHDGA-ZACQAIPSSA-N 2 2 361.490 0.942 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21)N1CCC1 ZINC001224298558 1225771376 /nfs/dbraw/zinc/77/13/76/1225771376.db2.gz YPGNBNSDFYBOOX-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21)N1CCC1 ZINC001224298558 1225771383 /nfs/dbraw/zinc/77/13/83/1225771383.db2.gz YPGNBNSDFYBOOX-SJORKVTESA-N 2 2 359.474 0.818 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N1CCC1)C2 ZINC001096010382 1217909879 /nfs/dbraw/zinc/90/98/79/1217909879.db2.gz DLZSWZNVRXLBOD-MVJTYMMSSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N1CCC1)C2 ZINC001096010382 1217909883 /nfs/dbraw/zinc/90/98/83/1217909883.db2.gz DLZSWZNVRXLBOD-MVJTYMMSSA-N 2 2 371.485 0.708 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4ccon4)C3)CC2)CC[N@@H+]1C ZINC001046032517 1217988027 /nfs/dbraw/zinc/98/80/27/1217988027.db2.gz KZFGBYMBWQUNSF-KBAYOESNSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH+](Cc4ccon4)C3)CC2)CC[N@H+]1C ZINC001046032517 1217988030 /nfs/dbraw/zinc/98/80/30/1217988030.db2.gz KZFGBYMBWQUNSF-KBAYOESNSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccon4)C3)CC2)CC[NH+]1C ZINC001046032517 1217988034 /nfs/dbraw/zinc/98/80/34/1217988034.db2.gz KZFGBYMBWQUNSF-KBAYOESNSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccon4)C3)CC2)CC[NH+]1C ZINC001046032517 1217988038 /nfs/dbraw/zinc/98/80/38/1217988038.db2.gz KZFGBYMBWQUNSF-KBAYOESNSA-N 2 2 361.490 0.733 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001046385504 1218032318 /nfs/dbraw/zinc/03/23/18/1218032318.db2.gz OPPLTTQOKUEYBO-CLCXKQKWSA-N 2 2 355.442 0.993 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001046385504 1218032319 /nfs/dbraw/zinc/03/23/19/1218032319.db2.gz OPPLTTQOKUEYBO-CLCXKQKWSA-N 2 2 355.442 0.993 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000900934898 1218059855 /nfs/dbraw/zinc/05/98/55/1218059855.db2.gz BARSTTUCWZMMRC-INIZCTEOSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000900934898 1218059859 /nfs/dbraw/zinc/05/98/59/1218059859.db2.gz BARSTTUCWZMMRC-INIZCTEOSA-N 2 2 367.490 0.585 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2CCNC2=O)CC1 ZINC001096234366 1218177626 /nfs/dbraw/zinc/17/76/26/1218177626.db2.gz PYDGQPJVZCEOLK-IKGGRYGDSA-N 2 2 363.506 0.465 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249064 1218184875 /nfs/dbraw/zinc/18/48/75/1218184875.db2.gz JYXDVGAAGQSBDM-TWMKSMIVSA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249064 1218184884 /nfs/dbraw/zinc/18/48/84/1218184884.db2.gz JYXDVGAAGQSBDM-TWMKSMIVSA-N 2 2 368.441 0.866 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC1CCCC1 ZINC001096356108 1218262808 /nfs/dbraw/zinc/26/28/08/1218262808.db2.gz KXWFQWBAZOEUFE-IKGGRYGDSA-N 2 2 360.502 0.863 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NC1CCCC1 ZINC001096356108 1218262816 /nfs/dbraw/zinc/26/28/16/1218262816.db2.gz KXWFQWBAZOEUFE-IKGGRYGDSA-N 2 2 360.502 0.863 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nnn(C)n2)CC[N@@H+]1C ZINC001048527967 1218279807 /nfs/dbraw/zinc/27/98/07/1218279807.db2.gz RHGRYJLVAWDAMH-IBEHDNSVSA-N 2 2 361.494 0.410 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nnn(C)n2)CC[N@H+]1C ZINC001048527967 1218279816 /nfs/dbraw/zinc/27/98/16/1218279816.db2.gz RHGRYJLVAWDAMH-IBEHDNSVSA-N 2 2 361.494 0.410 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnn(C)n2)CC[NH+]1C ZINC001048527967 1218279824 /nfs/dbraw/zinc/27/98/24/1218279824.db2.gz RHGRYJLVAWDAMH-IBEHDNSVSA-N 2 2 361.494 0.410 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnn(C)n2)CC[NH+]1C ZINC001048527967 1218279833 /nfs/dbraw/zinc/27/98/33/1218279833.db2.gz RHGRYJLVAWDAMH-IBEHDNSVSA-N 2 2 361.494 0.410 20 0 FCADLP O=C(NC[C@@H]1CC[C@@H](C[NH2+][C@H]2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001048609830 1218296193 /nfs/dbraw/zinc/29/61/93/1218296193.db2.gz JTBJVCSVRWUZKV-QCODTGAPSA-N 2 2 359.474 0.914 20 0 FCADLP O=C(NC[C@@H]1CC[C@@H](C[NH2+][C@H]2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001048609830 1218296199 /nfs/dbraw/zinc/29/61/99/1218296199.db2.gz JTBJVCSVRWUZKV-QCODTGAPSA-N 2 2 359.474 0.914 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048872666 1218330147 /nfs/dbraw/zinc/33/01/47/1218330147.db2.gz CKUSPBWULQVKAA-LXTVHRRPSA-N 2 2 371.441 0.052 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048872666 1218330149 /nfs/dbraw/zinc/33/01/49/1218330149.db2.gz CKUSPBWULQVKAA-LXTVHRRPSA-N 2 2 371.441 0.052 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048872666 1218330154 /nfs/dbraw/zinc/33/01/54/1218330154.db2.gz CKUSPBWULQVKAA-LXTVHRRPSA-N 2 2 371.441 0.052 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048872666 1218330159 /nfs/dbraw/zinc/33/01/59/1218330159.db2.gz CKUSPBWULQVKAA-LXTVHRRPSA-N 2 2 371.441 0.052 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001096435302 1218333742 /nfs/dbraw/zinc/33/37/42/1218333742.db2.gz WZUMBRXGKVRXFC-SNPRPXQTSA-N 2 2 359.430 0.131 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001096435302 1218333748 /nfs/dbraw/zinc/33/37/48/1218333748.db2.gz WZUMBRXGKVRXFC-SNPRPXQTSA-N 2 2 359.430 0.131 20 0 FCADLP C[C@H](c1ncccn1)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890017 1218337218 /nfs/dbraw/zinc/33/72/18/1218337218.db2.gz DBVZPWBVBLKZTF-OVYGPGRDSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](c1ncccn1)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890017 1218337223 /nfs/dbraw/zinc/33/72/23/1218337223.db2.gz DBVZPWBVBLKZTF-OVYGPGRDSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](c1ncccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890017 1218337230 /nfs/dbraw/zinc/33/72/30/1218337230.db2.gz DBVZPWBVBLKZTF-OVYGPGRDSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@H](c1ncccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890017 1218337237 /nfs/dbraw/zinc/33/72/37/1218337237.db2.gz DBVZPWBVBLKZTF-OVYGPGRDSA-N 2 2 359.474 0.647 20 0 FCADLP Cn1cncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049066719 1218372868 /nfs/dbraw/zinc/37/28/68/1218372868.db2.gz NGDCLPJAYSEONA-YALNPMBYSA-N 2 2 354.458 0.848 20 0 FCADLP Cn1cncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049066719 1218372876 /nfs/dbraw/zinc/37/28/76/1218372876.db2.gz NGDCLPJAYSEONA-YALNPMBYSA-N 2 2 354.458 0.848 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1)[NH+](C)C ZINC001049437919 1218448057 /nfs/dbraw/zinc/44/80/57/1218448057.db2.gz NTUCNUBJTKNUMH-IJEWVQPXSA-N 2 2 371.489 0.988 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001049481394 1218460373 /nfs/dbraw/zinc/46/03/73/1218460373.db2.gz INRXHKXAFVZZHT-KBUPBQIOSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001049481394 1218460378 /nfs/dbraw/zinc/46/03/78/1218460378.db2.gz INRXHKXAFVZZHT-KBUPBQIOSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481394 1218460383 /nfs/dbraw/zinc/46/03/83/1218460383.db2.gz INRXHKXAFVZZHT-KBUPBQIOSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481394 1218460386 /nfs/dbraw/zinc/46/03/86/1218460386.db2.gz INRXHKXAFVZZHT-KBUPBQIOSA-N 2 2 362.478 0.014 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000803667876 1218469322 /nfs/dbraw/zinc/46/93/22/1218469322.db2.gz YLWZXGQUHSCIMF-OAHLLOKOSA-N 2 2 360.458 0.924 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000803667876 1218469326 /nfs/dbraw/zinc/46/93/26/1218469326.db2.gz YLWZXGQUHSCIMF-OAHLLOKOSA-N 2 2 360.458 0.924 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000803672485 1218471818 /nfs/dbraw/zinc/47/18/18/1218471818.db2.gz XVNNHFQOIZLYCE-BLLLJJGKSA-N 2 2 360.458 0.922 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000803672485 1218471826 /nfs/dbraw/zinc/47/18/26/1218471826.db2.gz XVNNHFQOIZLYCE-BLLLJJGKSA-N 2 2 360.458 0.922 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550063 1218486621 /nfs/dbraw/zinc/48/66/21/1218486621.db2.gz VWJAYSSDJLLZDJ-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2cnn(C)c2)O1 ZINC001049550063 1218486626 /nfs/dbraw/zinc/48/66/26/1218486626.db2.gz VWJAYSSDJLLZDJ-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)c2)O1 ZINC001049550063 1218486631 /nfs/dbraw/zinc/48/66/31/1218486631.db2.gz VWJAYSSDJLLZDJ-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)O1 ZINC001049550063 1218486639 /nfs/dbraw/zinc/48/66/39/1218486639.db2.gz VWJAYSSDJLLZDJ-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226347672 1225841066 /nfs/dbraw/zinc/84/10/66/1225841066.db2.gz AMINTGLILGMGAR-FVQBIDKESA-N 2 2 361.490 0.913 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215795 1218724884 /nfs/dbraw/zinc/72/48/84/1218724884.db2.gz FHZBBGQXWRTZNM-WCXIOVBPSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCOCC1)C2 ZINC001097215795 1218724888 /nfs/dbraw/zinc/72/48/88/1218724888.db2.gz FHZBBGQXWRTZNM-WCXIOVBPSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C2 ZINC001097215795 1218724892 /nfs/dbraw/zinc/72/48/92/1218724892.db2.gz FHZBBGQXWRTZNM-WCXIOVBPSA-N 2 2 364.490 0.097 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C2 ZINC001097215795 1218724898 /nfs/dbraw/zinc/72/48/98/1218724898.db2.gz FHZBBGQXWRTZNM-WCXIOVBPSA-N 2 2 364.490 0.097 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cncn2)no1 ZINC001097394339 1218801047 /nfs/dbraw/zinc/80/10/47/1218801047.db2.gz ZYIIKXKKIIAQKL-XPKDYRNWSA-N 2 2 359.434 0.363 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)no1 ZINC001097394339 1218801048 /nfs/dbraw/zinc/80/10/48/1218801048.db2.gz ZYIIKXKKIIAQKL-XPKDYRNWSA-N 2 2 359.434 0.363 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508021 1218813472 /nfs/dbraw/zinc/81/34/72/1218813472.db2.gz SJQIAHKBNADXHT-OIISXLGYSA-N 2 2 368.441 0.691 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508021 1218813473 /nfs/dbraw/zinc/81/34/73/1218813473.db2.gz SJQIAHKBNADXHT-OIISXLGYSA-N 2 2 368.441 0.691 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555807 1218818619 /nfs/dbraw/zinc/81/86/19/1218818619.db2.gz XEHNTUVFBUVIRT-MMTVNHQJSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001097555807 1218818621 /nfs/dbraw/zinc/81/86/21/1218818621.db2.gz XEHNTUVFBUVIRT-MMTVNHQJSA-N 2 2 359.474 0.747 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccnn2C)C1 ZINC001097712185 1218839927 /nfs/dbraw/zinc/83/99/27/1218839927.db2.gz GOASLHCAVMTUNZ-BGTYHANMSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccnn2C)C1 ZINC001097712185 1218839928 /nfs/dbraw/zinc/83/99/28/1218839928.db2.gz GOASLHCAVMTUNZ-BGTYHANMSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)C1 ZINC001097712185 1218839930 /nfs/dbraw/zinc/83/99/30/1218839930.db2.gz GOASLHCAVMTUNZ-BGTYHANMSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)C1 ZINC001097712185 1218839932 /nfs/dbraw/zinc/83/99/32/1218839932.db2.gz GOASLHCAVMTUNZ-BGTYHANMSA-N 2 2 361.490 0.751 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859182 1218853821 /nfs/dbraw/zinc/85/38/21/1218853821.db2.gz FREXASGWKFTDSX-KURKYZTESA-N 2 2 358.486 0.872 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859182 1218853822 /nfs/dbraw/zinc/85/38/22/1218853822.db2.gz FREXASGWKFTDSX-KURKYZTESA-N 2 2 358.486 0.872 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001097860908 1218854168 /nfs/dbraw/zinc/85/41/68/1218854168.db2.gz UKVJOJWANYXBSR-APIJFGDWSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001097860908 1218854170 /nfs/dbraw/zinc/85/41/70/1218854170.db2.gz UKVJOJWANYXBSR-APIJFGDWSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001097860908 1218854173 /nfs/dbraw/zinc/85/41/73/1218854173.db2.gz UKVJOJWANYXBSR-APIJFGDWSA-N 2 2 362.474 0.245 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001097860908 1218854175 /nfs/dbraw/zinc/85/41/75/1218854175.db2.gz UKVJOJWANYXBSR-APIJFGDWSA-N 2 2 362.474 0.245 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](Nc3ncccn3)C2)C1 ZINC001052750299 1218863409 /nfs/dbraw/zinc/86/34/09/1218863409.db2.gz MMULCOYWCFCLMA-BZUAXINKSA-N 2 2 369.473 0.958 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](Nc3ncccn3)C2)C1 ZINC001052750299 1218863411 /nfs/dbraw/zinc/86/34/11/1218863411.db2.gz MMULCOYWCFCLMA-BZUAXINKSA-N 2 2 369.473 0.958 20 0 FCADLP O=c1[nH]cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)c(=O)[nH]1 ZINC001277146865 1225851886 /nfs/dbraw/zinc/85/18/86/1225851886.db2.gz OWJGXFWOXFLBJT-ZIAGYGMSSA-N 2 2 358.402 0.350 20 0 FCADLP O=c1[nH]cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)c(=O)[nH]1 ZINC001277146865 1225851890 /nfs/dbraw/zinc/85/18/90/1225851890.db2.gz OWJGXFWOXFLBJT-ZIAGYGMSSA-N 2 2 358.402 0.350 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1=O ZINC001277147490 1225851989 /nfs/dbraw/zinc/85/19/89/1225851989.db2.gz YJNPLOSSMSXRTK-QGZVFWFLSA-N 2 2 358.402 0.246 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1=O ZINC001277147490 1225851990 /nfs/dbraw/zinc/85/19/90/1225851990.db2.gz YJNPLOSSMSXRTK-QGZVFWFLSA-N 2 2 358.402 0.246 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CC[N@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001277146894 1225852114 /nfs/dbraw/zinc/85/21/14/1225852114.db2.gz PORHFWBVDPHDTN-QGZVFWFLSA-N 2 2 358.402 0.209 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001277146894 1225852116 /nfs/dbraw/zinc/85/21/16/1225852116.db2.gz PORHFWBVDPHDTN-QGZVFWFLSA-N 2 2 358.402 0.209 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH+]2CCCO)O1 ZINC001054043972 1218898339 /nfs/dbraw/zinc/89/83/39/1218898339.db2.gz PKQZSHDRQMYZBW-AYOQOUSVSA-N 2 2 361.486 0.631 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH+]2CCCO)O1 ZINC001054043972 1218898340 /nfs/dbraw/zinc/89/83/40/1218898340.db2.gz PKQZSHDRQMYZBW-AYOQOUSVSA-N 2 2 361.486 0.631 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[N@@H+]2CCCO)O1 ZINC001054043972 1218898342 /nfs/dbraw/zinc/89/83/42/1218898342.db2.gz PKQZSHDRQMYZBW-AYOQOUSVSA-N 2 2 361.486 0.631 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2CCCO)O1 ZINC001054043972 1218898343 /nfs/dbraw/zinc/89/83/43/1218898343.db2.gz PKQZSHDRQMYZBW-AYOQOUSVSA-N 2 2 361.486 0.631 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001054407280 1218918326 /nfs/dbraw/zinc/91/83/26/1218918326.db2.gz GJBCNIQURASHSN-BPLDGKMQSA-N 2 2 361.494 0.704 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001054407280 1218918331 /nfs/dbraw/zinc/91/83/31/1218918331.db2.gz GJBCNIQURASHSN-BPLDGKMQSA-N 2 2 361.494 0.704 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227166923 1225865374 /nfs/dbraw/zinc/86/53/74/1225865374.db2.gz WMNPNQPQBWOEHZ-ARFHVFGLSA-N 2 2 361.490 0.987 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128662 1225864303 /nfs/dbraw/zinc/86/43/03/1225864303.db2.gz VYRSCBRXFVBYMG-DJIMGWMZSA-N 2 2 361.490 0.941 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001227128663 1225864445 /nfs/dbraw/zinc/86/44/45/1225864445.db2.gz VYRSCBRXFVBYMG-USXIJHARSA-N 2 2 361.490 0.941 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001055602018 1219096222 /nfs/dbraw/zinc/09/62/22/1219096222.db2.gz LWNJOLZMCBWSGS-RHSMWYFYSA-N 2 2 361.490 0.706 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000804058618 1219112611 /nfs/dbraw/zinc/11/26/11/1219112611.db2.gz HXSGTNHDPKGTIH-SOUVJXGZSA-N 2 2 361.446 0.095 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000804058618 1219112619 /nfs/dbraw/zinc/11/26/19/1219112619.db2.gz HXSGTNHDPKGTIH-SOUVJXGZSA-N 2 2 361.446 0.095 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096161 1219166848 /nfs/dbraw/zinc/16/68/48/1219166848.db2.gz KXQGTPROMFBOTM-KURKYZTESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096161 1219166858 /nfs/dbraw/zinc/16/68/58/1219166858.db2.gz KXQGTPROMFBOTM-KURKYZTESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096161 1219166866 /nfs/dbraw/zinc/16/68/66/1219166866.db2.gz KXQGTPROMFBOTM-KURKYZTESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)c1 ZINC001070096161 1219166871 /nfs/dbraw/zinc/16/68/71/1219166871.db2.gz KXQGTPROMFBOTM-KURKYZTESA-N 2 2 369.473 0.475 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096370 1219168220 /nfs/dbraw/zinc/16/82/20/1219168220.db2.gz WAHWHQZOUCPMKY-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096370 1219168223 /nfs/dbraw/zinc/16/82/23/1219168223.db2.gz WAHWHQZOUCPMKY-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096370 1219168229 /nfs/dbraw/zinc/16/82/29/1219168229.db2.gz WAHWHQZOUCPMKY-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](n3ccnn3)C2)on1 ZINC001070096370 1219168234 /nfs/dbraw/zinc/16/82/34/1219168234.db2.gz WAHWHQZOUCPMKY-BMFZPTHFSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)on1 ZINC001070158951 1219246712 /nfs/dbraw/zinc/24/67/12/1219246712.db2.gz YCEMGCJDCGRAEX-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)on1 ZINC001070158951 1219246721 /nfs/dbraw/zinc/24/67/21/1219246721.db2.gz YCEMGCJDCGRAEX-PMPSAXMXSA-N 2 2 359.434 0.210 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070165205 1219256441 /nfs/dbraw/zinc/25/64/41/1219256441.db2.gz IRMFHWNGUVEHGM-SQNIBIBYSA-N 2 2 370.457 0.150 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)[C@@H](n3ccnn3)C2)C1 ZINC001070165205 1219256449 /nfs/dbraw/zinc/25/64/49/1219256449.db2.gz IRMFHWNGUVEHGM-SQNIBIBYSA-N 2 2 370.457 0.150 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070206758 1219293437 /nfs/dbraw/zinc/29/34/37/1219293437.db2.gz RWNKTWKKOZHPGJ-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070206758 1219293440 /nfs/dbraw/zinc/29/34/40/1219293440.db2.gz RWNKTWKKOZHPGJ-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220464 1219302934 /nfs/dbraw/zinc/30/29/34/1219302934.db2.gz HGXKVYATXBVWRY-OAGGEKHMSA-N 2 2 355.446 0.489 20 0 FCADLP O=C(c1cccc2[nH+]ccn21)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070231868 1219309438 /nfs/dbraw/zinc/30/94/38/1219309438.db2.gz RIHRDGOSABUMIC-ZBFHGGJFSA-N 2 2 351.414 0.991 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070241375 1219312991 /nfs/dbraw/zinc/31/29/91/1219312991.db2.gz CTMAOGZUDJGFQK-IKGGRYGDSA-N 2 2 364.494 0.529 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070241375 1219312993 /nfs/dbraw/zinc/31/29/93/1219312993.db2.gz CTMAOGZUDJGFQK-IKGGRYGDSA-N 2 2 364.494 0.529 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]([NH2+]Cc2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070247225 1219317265 /nfs/dbraw/zinc/31/72/65/1219317265.db2.gz JSMZCPMIKIFWMW-SJORKVTESA-N 2 2 366.429 0.502 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070284812 1219349932 /nfs/dbraw/zinc/34/99/32/1219349932.db2.gz WFUCFHZHKUBNFK-CVEARBPZSA-N 2 2 370.392 0.320 20 0 FCADLP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2n2ccnn2)c1 ZINC001070284882 1219350095 /nfs/dbraw/zinc/35/00/95/1219350095.db2.gz ZOYSPFISFCMNLI-SJORKVTESA-N 2 2 366.429 0.489 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)C1 ZINC001070310921 1219368007 /nfs/dbraw/zinc/36/80/07/1219368007.db2.gz CNYRVHBVAIXDFE-BMFZPTHFSA-N 2 2 359.434 0.150 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)C1 ZINC001070310921 1219368010 /nfs/dbraw/zinc/36/80/10/1219368010.db2.gz CNYRVHBVAIXDFE-BMFZPTHFSA-N 2 2 359.434 0.150 20 0 FCADLP CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334518 1219384034 /nfs/dbraw/zinc/38/40/34/1219384034.db2.gz CUDPDFCEDVADRJ-IKGGRYGDSA-N 2 2 357.462 0.728 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070380554 1219406098 /nfs/dbraw/zinc/40/60/98/1219406098.db2.gz MHUKFNACSQGUNB-BEFAXECRSA-N 2 2 359.474 0.838 20 0 FCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446309 1219412638 /nfs/dbraw/zinc/41/26/38/1219412638.db2.gz ZOOUOBAMKQCCHU-BPLDGKMQSA-N 2 2 362.478 0.080 20 0 FCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446309 1219412640 /nfs/dbraw/zinc/41/26/40/1219412640.db2.gz ZOOUOBAMKQCCHU-BPLDGKMQSA-N 2 2 362.478 0.080 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2cncn2C)c1 ZINC001070540642 1219460046 /nfs/dbraw/zinc/46/00/46/1219460046.db2.gz BDGLFFVFILPBMX-DOTOQJQBSA-N 2 2 368.445 0.204 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](c4cncn4C)[C@H]([NH2+]CCO)C3)ccn12 ZINC001070648061 1219506365 /nfs/dbraw/zinc/50/63/65/1219506365.db2.gz RBSGYYFJGJVSPH-HZPDHXFCSA-N 2 2 368.441 0.566 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001070714817 1219539322 /nfs/dbraw/zinc/53/93/22/1219539322.db2.gz HMEIMNAPCTYGDI-NUEKZKHPSA-N 2 2 360.462 0.051 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccns1 ZINC001070723261 1219543101 /nfs/dbraw/zinc/54/31/01/1219543101.db2.gz BRZPGBDKUMPTNH-HUUCEWRRSA-N 2 2 371.470 0.858 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cncs1 ZINC001070723869 1219543743 /nfs/dbraw/zinc/54/37/43/1219543743.db2.gz VBWYQECZAATLTR-HUUCEWRRSA-N 2 2 371.470 0.858 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001070925756 1219583846 /nfs/dbraw/zinc/58/38/46/1219583846.db2.gz MCRIFIYKMMVFRG-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001070925756 1219583851 /nfs/dbraw/zinc/58/38/51/1219583851.db2.gz MCRIFIYKMMVFRG-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC(C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)c1c[nH+]c[nH]1 ZINC001071098662 1219606820 /nfs/dbraw/zinc/60/68/20/1219606820.db2.gz YEMWRPHESBXLHC-CJNGLKHVSA-N 2 2 363.462 0.158 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2 ZINC001072828940 1219623894 /nfs/dbraw/zinc/62/38/94/1219623894.db2.gz ZOUBGHZICPQWNF-HUUCEWRRSA-N 2 2 357.458 0.670 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2 ZINC001072828940 1219623896 /nfs/dbraw/zinc/62/38/96/1219623896.db2.gz ZOUBGHZICPQWNF-HUUCEWRRSA-N 2 2 357.458 0.670 20 0 FCADLP C[C@H](c1ncccn1)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850296 1219625177 /nfs/dbraw/zinc/62/51/77/1219625177.db2.gz VMHKZKVHNKYRFF-BZUAXINKSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1ncccn1)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850296 1219625180 /nfs/dbraw/zinc/62/51/80/1219625180.db2.gz VMHKZKVHNKYRFF-BZUAXINKSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1ncccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850296 1219625182 /nfs/dbraw/zinc/62/51/82/1219625182.db2.gz VMHKZKVHNKYRFF-BZUAXINKSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H](c1ncccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850296 1219625184 /nfs/dbraw/zinc/62/51/84/1219625184.db2.gz VMHKZKVHNKYRFF-BZUAXINKSA-N 2 2 359.474 0.791 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)c(=O)c1 ZINC001098219665 1219742945 /nfs/dbraw/zinc/74/29/45/1219742945.db2.gz OMHGUBKDDFUVIH-OIISXLGYSA-N 2 2 355.442 0.583 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)c(=O)c1 ZINC001098219665 1219742947 /nfs/dbraw/zinc/74/29/47/1219742947.db2.gz OMHGUBKDDFUVIH-OIISXLGYSA-N 2 2 355.442 0.583 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccon3)CC2)O1 ZINC001098405048 1219774930 /nfs/dbraw/zinc/77/49/30/1219774930.db2.gz YSXACINLMHJVEX-RHSMWYFYSA-N 2 2 366.462 0.179 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)Cc3ccon3)CC2)O1 ZINC001098405048 1219774934 /nfs/dbraw/zinc/77/49/34/1219774934.db2.gz YSXACINLMHJVEX-RHSMWYFYSA-N 2 2 366.462 0.179 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](CCO)Cc3ccon3)CC2)O1 ZINC001098405048 1219774936 /nfs/dbraw/zinc/77/49/36/1219774936.db2.gz YSXACINLMHJVEX-RHSMWYFYSA-N 2 2 366.462 0.179 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3ccon3)CC2)O1 ZINC001098405048 1219774939 /nfs/dbraw/zinc/77/49/39/1219774939.db2.gz YSXACINLMHJVEX-RHSMWYFYSA-N 2 2 366.462 0.179 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001098405738 1219775330 /nfs/dbraw/zinc/77/53/30/1219775330.db2.gz OBYLROAPDOOAOY-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2C)C3)n1 ZINC001098405738 1219775332 /nfs/dbraw/zinc/77/53/32/1219775332.db2.gz OBYLROAPDOOAOY-OAGGEKHMSA-N 2 2 356.430 0.912 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841455 1219837902 /nfs/dbraw/zinc/83/79/02/1219837902.db2.gz JIUCLLPUXDTHSK-BXWFABGCSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841455 1219837905 /nfs/dbraw/zinc/83/79/05/1219837905.db2.gz JIUCLLPUXDTHSK-BXWFABGCSA-N 2 2 358.490 0.628 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)N1CCC1 ZINC001098909177 1219859211 /nfs/dbraw/zinc/85/92/11/1219859211.db2.gz ORSZNYFMHHYFEV-GUXCAODWSA-N 2 2 371.485 0.649 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)N1CCC1 ZINC001098909177 1219859214 /nfs/dbraw/zinc/85/92/14/1219859214.db2.gz ORSZNYFMHHYFEV-GUXCAODWSA-N 2 2 371.485 0.649 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c(N(C)C)[nH+]1 ZINC000750248641 1219889125 /nfs/dbraw/zinc/88/91/25/1219889125.db2.gz VEYZHDIKWFEHPC-UHFFFAOYSA-N 2 2 363.462 0.622 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028187 1219892543 /nfs/dbraw/zinc/89/25/43/1219892543.db2.gz VBJQNNHCNZYRHC-GLJUWKHASA-N 2 2 362.478 0.063 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028187 1219892546 /nfs/dbraw/zinc/89/25/46/1219892546.db2.gz VBJQNNHCNZYRHC-GLJUWKHASA-N 2 2 362.478 0.063 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028187 1219892549 /nfs/dbraw/zinc/89/25/49/1219892549.db2.gz VBJQNNHCNZYRHC-GLJUWKHASA-N 2 2 362.478 0.063 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001099028187 1219892552 /nfs/dbraw/zinc/89/25/52/1219892552.db2.gz VBJQNNHCNZYRHC-GLJUWKHASA-N 2 2 362.478 0.063 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001099121453 1219921530 /nfs/dbraw/zinc/92/15/30/1219921530.db2.gz ZRAFBGOZYISKMJ-LPHOPBHVSA-N 2 2 371.489 0.842 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001099121453 1219921533 /nfs/dbraw/zinc/92/15/33/1219921533.db2.gz ZRAFBGOZYISKMJ-LPHOPBHVSA-N 2 2 371.489 0.842 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001099123127 1219921901 /nfs/dbraw/zinc/92/19/01/1219921901.db2.gz UMTIPDWZFZHXNO-KXBFYZLASA-N 2 2 358.490 0.865 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001099123127 1219921905 /nfs/dbraw/zinc/92/19/05/1219921905.db2.gz UMTIPDWZFZHXNO-KXBFYZLASA-N 2 2 358.490 0.865 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC1CCCC1)C2 ZINC001099183410 1219943454 /nfs/dbraw/zinc/94/34/54/1219943454.db2.gz GNDQMSRIEZNXTN-KXBFYZLASA-N 2 2 359.474 0.913 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NC1CCCC1)C2 ZINC001099183410 1219943456 /nfs/dbraw/zinc/94/34/56/1219943456.db2.gz GNDQMSRIEZNXTN-KXBFYZLASA-N 2 2 359.474 0.913 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183981 1219943562 /nfs/dbraw/zinc/94/35/62/1219943562.db2.gz SPEWFKVTRBMKCO-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183981 1219943568 /nfs/dbraw/zinc/94/35/68/1219943568.db2.gz SPEWFKVTRBMKCO-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001099445171 1219999101 /nfs/dbraw/zinc/99/91/01/1219999101.db2.gz ZWBHVILJSBNSET-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP Cn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001099445171 1219999105 /nfs/dbraw/zinc/99/91/05/1219999105.db2.gz ZWBHVILJSBNSET-KSSFIOAISA-N 2 2 357.462 0.889 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099469451 1220006639 /nfs/dbraw/zinc/00/66/39/1220006639.db2.gz GLRSVXIHQUICTL-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2)c1nnnn1C ZINC001099519625 1220020812 /nfs/dbraw/zinc/02/08/12/1220020812.db2.gz GGTPAQPRMLILQI-DCGLDWPTSA-N 2 2 358.450 0.455 20 0 FCADLP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001099519827 1220021329 /nfs/dbraw/zinc/02/13/29/1220021329.db2.gz LDTOBPYDTZJWLF-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP C[NH+]1CCN(Cc2ccc(CNC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000750865757 1220021963 /nfs/dbraw/zinc/02/19/63/1220021963.db2.gz YRCVKYBKLUKWDC-UHFFFAOYSA-N 2 2 360.502 0.773 20 0 FCADLP CN1CC[NH+](Cc2ccc(CNC(=O)CC[NH+]3CCOCC3)cc2)CC1 ZINC000750865757 1220021972 /nfs/dbraw/zinc/02/19/72/1220021972.db2.gz YRCVKYBKLUKWDC-UHFFFAOYSA-N 2 2 360.502 0.773 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001099525577 1220023598 /nfs/dbraw/zinc/02/35/98/1220023598.db2.gz JHQOTICDPVFUBA-QOKNQOGYSA-N 2 2 359.474 0.412 20 0 FCADLP CN1CCC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)C1=O ZINC001099541089 1220028356 /nfs/dbraw/zinc/02/83/56/1220028356.db2.gz KZNDFFJQYKJORF-FCEWJHQRSA-N 2 2 359.474 0.722 20 0 FCADLP CCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)COC1 ZINC000755334025 1220137355 /nfs/dbraw/zinc/13/73/55/1220137355.db2.gz DSANTHLLBJQETQ-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317022 1220284342 /nfs/dbraw/zinc/28/43/42/1220284342.db2.gz CQTZWZXCSCLIIB-BEFAXECRSA-N 2 2 361.490 0.968 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317022 1220284347 /nfs/dbraw/zinc/28/43/47/1220284347.db2.gz CQTZWZXCSCLIIB-BEFAXECRSA-N 2 2 361.490 0.968 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393733 1220319463 /nfs/dbraw/zinc/31/94/63/1220319463.db2.gz CMAZHGRSKNRHLN-APWZRJJASA-N 2 2 366.506 0.015 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101393733 1220319465 /nfs/dbraw/zinc/31/94/65/1220319465.db2.gz CMAZHGRSKNRHLN-APWZRJJASA-N 2 2 366.506 0.015 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431214 1220339815 /nfs/dbraw/zinc/33/98/15/1220339815.db2.gz DUPOUGPKQYOKCL-QAPCUYQASA-N 2 2 364.494 0.157 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431214 1220339818 /nfs/dbraw/zinc/33/98/18/1220339818.db2.gz DUPOUGPKQYOKCL-QAPCUYQASA-N 2 2 364.494 0.157 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101444488 1220347914 /nfs/dbraw/zinc/34/79/14/1220347914.db2.gz CRWSWVVXOBHNJI-BEFAXECRSA-N 2 2 359.474 0.567 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101444488 1220347920 /nfs/dbraw/zinc/34/79/20/1220347920.db2.gz CRWSWVVXOBHNJI-BEFAXECRSA-N 2 2 359.474 0.567 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCOC[C@H]1CCCO1)C2 ZINC001101487918 1220371512 /nfs/dbraw/zinc/37/15/12/1220371512.db2.gz AFQXWRXUSOFTJK-LMMKCTJWSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC001101487918 1220371516 /nfs/dbraw/zinc/37/15/16/1220371516.db2.gz AFQXWRXUSOFTJK-LMMKCTJWSA-N 2 2 362.474 0.859 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102045183 1220476067 /nfs/dbraw/zinc/47/60/67/1220476067.db2.gz VKWJJBCTAALBGS-ZACQAIPSSA-N 2 2 371.489 0.488 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102045183 1220476069 /nfs/dbraw/zinc/47/60/69/1220476069.db2.gz VKWJJBCTAALBGS-ZACQAIPSSA-N 2 2 371.489 0.488 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102045229 1220476110 /nfs/dbraw/zinc/47/61/10/1220476110.db2.gz XZZIURJPWLELNO-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102045229 1220476111 /nfs/dbraw/zinc/47/61/11/1220476111.db2.gz XZZIURJPWLELNO-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102045229 1220476113 /nfs/dbraw/zinc/47/61/13/1220476113.db2.gz XZZIURJPWLELNO-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102045229 1220476115 /nfs/dbraw/zinc/47/61/15/1220476115.db2.gz XZZIURJPWLELNO-BZUAXINKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104182 1220496920 /nfs/dbraw/zinc/49/69/20/1220496920.db2.gz JJAZIGWDMCACIU-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104182 1220496928 /nfs/dbraw/zinc/49/69/28/1220496928.db2.gz JJAZIGWDMCACIU-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156474 1220527810 /nfs/dbraw/zinc/52/78/10/1220527810.db2.gz VUDIEZUDKGRPKK-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156474 1220527814 /nfs/dbraw/zinc/52/78/14/1220527814.db2.gz VUDIEZUDKGRPKK-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102156177 1220528864 /nfs/dbraw/zinc/52/88/64/1220528864.db2.gz LKAWUFBYJLYWMW-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC001102156177 1220528869 /nfs/dbraw/zinc/52/88/69/1220528869.db2.gz LKAWUFBYJLYWMW-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175836 1220535700 /nfs/dbraw/zinc/53/57/00/1220535700.db2.gz SCBCADZXUNRIOI-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102175836 1220535704 /nfs/dbraw/zinc/53/57/04/1220535704.db2.gz SCBCADZXUNRIOI-HZPDHXFCSA-N 2 2 363.506 0.904 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177289 1220536836 /nfs/dbraw/zinc/53/68/36/1220536836.db2.gz QTGYXFXHLIUYGC-BZUAXINKSA-N 2 2 371.489 0.816 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102177289 1220536845 /nfs/dbraw/zinc/53/68/45/1220536845.db2.gz QTGYXFXHLIUYGC-BZUAXINKSA-N 2 2 371.489 0.816 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203864 1220549263 /nfs/dbraw/zinc/54/92/63/1220549263.db2.gz JSJMSCOEWZZTAI-BRWVUGGUSA-N 2 2 360.462 0.215 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203864 1220549268 /nfs/dbraw/zinc/54/92/68/1220549268.db2.gz JSJMSCOEWZZTAI-BRWVUGGUSA-N 2 2 360.462 0.215 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287344 1220576106 /nfs/dbraw/zinc/57/61/06/1220576106.db2.gz ZSFRKRMVQKGWIS-HUUCEWRRSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102287344 1220576110 /nfs/dbraw/zinc/57/61/10/1220576110.db2.gz ZSFRKRMVQKGWIS-HUUCEWRRSA-N 2 2 366.485 0.774 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455998 1220631164 /nfs/dbraw/zinc/63/11/64/1220631164.db2.gz DRSQYSSILPZAJM-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455998 1220631168 /nfs/dbraw/zinc/63/11/68/1220631168.db2.gz DRSQYSSILPZAJM-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455998 1220631175 /nfs/dbraw/zinc/63/11/75/1220631175.db2.gz DRSQYSSILPZAJM-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001102455998 1220631181 /nfs/dbraw/zinc/63/11/81/1220631181.db2.gz DRSQYSSILPZAJM-BZUAXINKSA-N 2 2 361.490 0.895 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102472306 1220642346 /nfs/dbraw/zinc/64/23/46/1220642346.db2.gz URWORJZJGIGXIC-HZPDHXFCSA-N 2 2 365.526 0.906 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C)C[C@H]1C ZINC001102472306 1220642352 /nfs/dbraw/zinc/64/23/52/1220642352.db2.gz URWORJZJGIGXIC-HZPDHXFCSA-N 2 2 365.526 0.906 20 0 FCADLP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102472306 1220642358 /nfs/dbraw/zinc/64/23/58/1220642358.db2.gz URWORJZJGIGXIC-HZPDHXFCSA-N 2 2 365.526 0.906 20 0 FCADLP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102472306 1220642362 /nfs/dbraw/zinc/64/23/62/1220642362.db2.gz URWORJZJGIGXIC-HZPDHXFCSA-N 2 2 365.526 0.906 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)C1CC1 ZINC001102513389 1220672268 /nfs/dbraw/zinc/67/22/68/1220672268.db2.gz IJOWLJSWLKRVLQ-IIAWOOMASA-N 2 2 361.490 0.561 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)C1CC1 ZINC001102513389 1220672271 /nfs/dbraw/zinc/67/22/71/1220672271.db2.gz IJOWLJSWLKRVLQ-IIAWOOMASA-N 2 2 361.490 0.561 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513535 1220672447 /nfs/dbraw/zinc/67/24/47/1220672447.db2.gz PCPZYKKWAMMBTK-HUUCEWRRSA-N 2 2 364.494 0.354 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513535 1220672451 /nfs/dbraw/zinc/67/24/51/1220672451.db2.gz PCPZYKKWAMMBTK-HUUCEWRRSA-N 2 2 364.494 0.354 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@H](C)C2)C1=O ZINC001102540494 1220688448 /nfs/dbraw/zinc/68/84/48/1220688448.db2.gz MRESMVSQWSFTSX-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@H](C)C2)C1=O ZINC001102540494 1220688452 /nfs/dbraw/zinc/68/84/52/1220688452.db2.gz MRESMVSQWSFTSX-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540158 1220688929 /nfs/dbraw/zinc/68/89/29/1220688929.db2.gz FZHWGXFIWCKOSN-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540158 1220688931 /nfs/dbraw/zinc/68/89/31/1220688931.db2.gz FZHWGXFIWCKOSN-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102580003 1220703522 /nfs/dbraw/zinc/70/35/22/1220703522.db2.gz APCMYWFGSWQUKY-UKRRQHHQSA-N 2 2 360.466 0.643 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102580003 1220703529 /nfs/dbraw/zinc/70/35/29/1220703529.db2.gz APCMYWFGSWQUKY-UKRRQHHQSA-N 2 2 360.466 0.643 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102614102 1220733801 /nfs/dbraw/zinc/73/38/01/1220733801.db2.gz NPICEABKHNFRSJ-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102614102 1220733804 /nfs/dbraw/zinc/73/38/04/1220733804.db2.gz NPICEABKHNFRSJ-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616934 1220735919 /nfs/dbraw/zinc/73/59/19/1220735919.db2.gz ZDGXRAZUJBZSOP-BFYDXBDKSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616934 1220735924 /nfs/dbraw/zinc/73/59/24/1220735924.db2.gz ZDGXRAZUJBZSOP-BFYDXBDKSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925243 1220808414 /nfs/dbraw/zinc/80/84/14/1220808414.db2.gz NXHNMUSUDRYYKD-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925243 1220808417 /nfs/dbraw/zinc/80/84/17/1220808417.db2.gz NXHNMUSUDRYYKD-GDBMZVCRSA-N 2 2 361.490 0.943 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977338 1220815422 /nfs/dbraw/zinc/81/54/22/1220815422.db2.gz WLCJNQAOJOSFKD-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977338 1220815424 /nfs/dbraw/zinc/81/54/24/1220815424.db2.gz WLCJNQAOJOSFKD-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977338 1220815427 /nfs/dbraw/zinc/81/54/27/1220815427.db2.gz WLCJNQAOJOSFKD-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102977338 1220815429 /nfs/dbraw/zinc/81/54/29/1220815429.db2.gz WLCJNQAOJOSFKD-OAGGEKHMSA-N 2 2 363.510 0.657 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001103162786 1220842158 /nfs/dbraw/zinc/84/21/58/1220842158.db2.gz JWBHASUJAMQBLV-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001103162786 1220842159 /nfs/dbraw/zinc/84/21/59/1220842159.db2.gz JWBHASUJAMQBLV-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103162832 1220842299 /nfs/dbraw/zinc/84/22/99/1220842299.db2.gz LWPRUUFIBSFRCF-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001103162832 1220842300 /nfs/dbraw/zinc/84/23/00/1220842300.db2.gz LWPRUUFIBSFRCF-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103163068 1220842429 /nfs/dbraw/zinc/84/24/29/1220842429.db2.gz VYDUJHHUWILLIS-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103163068 1220842430 /nfs/dbraw/zinc/84/24/30/1220842430.db2.gz VYDUJHHUWILLIS-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162564 1220842625 /nfs/dbraw/zinc/84/26/25/1220842625.db2.gz BOISTGDSTWAPAO-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001103162564 1220842627 /nfs/dbraw/zinc/84/26/27/1220842627.db2.gz BOISTGDSTWAPAO-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103233613 1220855138 /nfs/dbraw/zinc/85/51/38/1220855138.db2.gz OGRIUOSFCKJAOM-BPLDGKMQSA-N 2 2 360.466 0.550 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)c2nnnn2C)C[C@H]1C ZINC001103233613 1220855141 /nfs/dbraw/zinc/85/51/41/1220855141.db2.gz OGRIUOSFCKJAOM-BPLDGKMQSA-N 2 2 360.466 0.550 20 0 FCADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001103271436 1220858979 /nfs/dbraw/zinc/85/89/79/1220858979.db2.gz OEDGEMFQYZLHIV-DJIMGWMZSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001103271436 1220858981 /nfs/dbraw/zinc/85/89/81/1220858981.db2.gz OEDGEMFQYZLHIV-DJIMGWMZSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001103271436 1220858982 /nfs/dbraw/zinc/85/89/82/1220858982.db2.gz OEDGEMFQYZLHIV-DJIMGWMZSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001103271436 1220858983 /nfs/dbraw/zinc/85/89/83/1220858983.db2.gz OEDGEMFQYZLHIV-DJIMGWMZSA-N 2 2 366.506 0.047 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290150 1220861425 /nfs/dbraw/zinc/86/14/25/1220861425.db2.gz AXXNULUKFYQCBN-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290150 1220861428 /nfs/dbraw/zinc/86/14/28/1220861428.db2.gz AXXNULUKFYQCBN-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438314 1220882560 /nfs/dbraw/zinc/88/25/60/1220882560.db2.gz APWCAYSVMRCAQB-HUUCEWRRSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438314 1220882564 /nfs/dbraw/zinc/88/25/64/1220882564.db2.gz APWCAYSVMRCAQB-HUUCEWRRSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001103438314 1220882567 /nfs/dbraw/zinc/88/25/67/1220882567.db2.gz APWCAYSVMRCAQB-HUUCEWRRSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001103438314 1220882569 /nfs/dbraw/zinc/88/25/69/1220882569.db2.gz APWCAYSVMRCAQB-HUUCEWRRSA-N 2 2 363.510 0.516 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605804 1220912188 /nfs/dbraw/zinc/91/21/88/1220912188.db2.gz VTOQEQLIVPSOFG-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605804 1220912189 /nfs/dbraw/zinc/91/21/89/1220912189.db2.gz VTOQEQLIVPSOFG-HUUCEWRRSA-N 2 2 370.457 0.701 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644521 1220926424 /nfs/dbraw/zinc/92/64/24/1220926424.db2.gz DBJVCKXJCRSCLF-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644521 1220926429 /nfs/dbraw/zinc/92/64/29/1220926429.db2.gz DBJVCKXJCRSCLF-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001103677060 1220935681 /nfs/dbraw/zinc/93/56/81/1220935681.db2.gz IDQQLMHLJYRZOA-UNEWFSDZSA-N 2 2 361.490 0.956 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001103677060 1220935684 /nfs/dbraw/zinc/93/56/84/1220935684.db2.gz IDQQLMHLJYRZOA-UNEWFSDZSA-N 2 2 361.490 0.956 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756868 1220965406 /nfs/dbraw/zinc/96/54/06/1220965406.db2.gz DTPYMHIYAKUTRO-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756868 1220965408 /nfs/dbraw/zinc/96/54/08/1220965408.db2.gz DTPYMHIYAKUTRO-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756868 1220965413 /nfs/dbraw/zinc/96/54/13/1220965413.db2.gz DTPYMHIYAKUTRO-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001103756868 1220965416 /nfs/dbraw/zinc/96/54/16/1220965416.db2.gz DTPYMHIYAKUTRO-OAGGEKHMSA-N 2 2 363.510 0.659 20 0 FCADLP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001104217399 1221022794 /nfs/dbraw/zinc/02/27/94/1221022794.db2.gz MXPPXDRNFKWJBH-HUUCEWRRSA-N 2 2 361.490 0.582 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C)C(N)=O ZINC001104217194 1221022857 /nfs/dbraw/zinc/02/28/57/1221022857.db2.gz IQIQPVYQPHZOEQ-QLFBSQMISA-N 2 2 361.490 0.710 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC1CC1)C2 ZINC001111808100 1221121184 /nfs/dbraw/zinc/12/11/84/1221121184.db2.gz XCZQQAGVELPFGX-LPHOPBHVSA-N 2 2 359.474 0.688 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC1CC1)C2 ZINC001111808100 1221121190 /nfs/dbraw/zinc/12/11/90/1221121190.db2.gz XCZQQAGVELPFGX-LPHOPBHVSA-N 2 2 359.474 0.688 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826474 1221128344 /nfs/dbraw/zinc/12/83/44/1221128344.db2.gz KILQEAJYBOYQDD-VCBZYWHSSA-N 2 2 359.474 0.911 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111826474 1221128349 /nfs/dbraw/zinc/12/83/49/1221128349.db2.gz KILQEAJYBOYQDD-VCBZYWHSSA-N 2 2 359.474 0.911 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCOC3)C2 ZINC001111861292 1221140363 /nfs/dbraw/zinc/14/03/63/1221140363.db2.gz FYNWICYWZMHHDE-KSSFIOAISA-N 2 2 362.478 0.231 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCOC3)C2 ZINC001111861292 1221140367 /nfs/dbraw/zinc/14/03/67/1221140367.db2.gz FYNWICYWZMHHDE-KSSFIOAISA-N 2 2 362.478 0.231 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001112021244 1221202700 /nfs/dbraw/zinc/20/27/00/1221202700.db2.gz BMCSTWRZJXCOEG-BXWFABGCSA-N 2 2 359.474 0.913 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCNC1=O)C2 ZINC001112021244 1221202705 /nfs/dbraw/zinc/20/27/05/1221202705.db2.gz BMCSTWRZJXCOEG-BXWFABGCSA-N 2 2 359.474 0.913 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[C@]4(C[NH2+]CC(N)=O)C3)ccn12 ZINC001112354486 1221244658 /nfs/dbraw/zinc/24/46/58/1221244658.db2.gz LJWYSSPOVLNKLA-KXBFYZLASA-N 2 2 355.442 0.960 20 0 FCADLP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001112463506 1221264581 /nfs/dbraw/zinc/26/45/81/1221264581.db2.gz MFAFIXSRUKYTOI-LIRRHRJNSA-N 2 2 355.442 0.912 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229693407 1226028984 /nfs/dbraw/zinc/02/89/84/1226028984.db2.gz RVLMGFHWSIYVBZ-BRWVUGGUSA-N 2 2 360.462 0.237 20 0 FCADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)CC1CCC2(CC1)OCCO2 ZINC000798959461 1221296152 /nfs/dbraw/zinc/29/61/52/1221296152.db2.gz JBXQFZXMPFDKET-UHFFFAOYSA-N 2 2 369.506 0.642 20 0 FCADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)CC1CCC2(CC1)OCCO2 ZINC000798959461 1221296155 /nfs/dbraw/zinc/29/61/55/1221296155.db2.gz JBXQFZXMPFDKET-UHFFFAOYSA-N 2 2 369.506 0.642 20 0 FCADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933624 1226040488 /nfs/dbraw/zinc/04/04/88/1226040488.db2.gz RUNSCEAIINDERN-CHWSQXEVSA-N 2 2 364.450 0.123 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC001118573430 1221802563 /nfs/dbraw/zinc/80/25/63/1221802563.db2.gz AOIZIFVXGKALLQ-HNNXBMFYSA-N 2 2 356.430 0.707 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)n1 ZINC001118573430 1221802566 /nfs/dbraw/zinc/80/25/66/1221802566.db2.gz AOIZIFVXGKALLQ-HNNXBMFYSA-N 2 2 356.430 0.707 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001230338273 1226074358 /nfs/dbraw/zinc/07/43/58/1226074358.db2.gz DFARQXALCKHBMS-MGPQQGTHSA-N 2 2 364.450 0.264 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NC1CCOCC1 ZINC001230347567 1226075887 /nfs/dbraw/zinc/07/58/87/1226075887.db2.gz GDJBFWKXIFBPFF-HZPDHXFCSA-N 2 2 363.462 0.195 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119293721 1221897587 /nfs/dbraw/zinc/89/75/87/1221897587.db2.gz VXFAUXNYVMQGRY-NXHRZFHOSA-N 2 2 356.470 0.855 20 0 FCADLP CCN(C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC001119401569 1221911812 /nfs/dbraw/zinc/91/18/12/1221911812.db2.gz FCJZCKNLPFNLNZ-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC001119401569 1221911817 /nfs/dbraw/zinc/91/18/17/1221911817.db2.gz FCJZCKNLPFNLNZ-MSOLQXFVSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001119406464 1221912701 /nfs/dbraw/zinc/91/27/01/1221912701.db2.gz LLLSBYHADQVKQU-PBHICJAKSA-N 2 2 360.458 0.083 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](CCO)Cc1cccnc1 ZINC001230848956 1226089619 /nfs/dbraw/zinc/08/96/19/1226089619.db2.gz DBSQOMGFOBAJPP-IAGOWNOFSA-N 2 2 357.458 0.919 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](CCO)Cc1cccnc1 ZINC001230848956 1226089622 /nfs/dbraw/zinc/08/96/22/1226089622.db2.gz DBSQOMGFOBAJPP-IAGOWNOFSA-N 2 2 357.458 0.919 20 0 FCADLP O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1)NC1CC1 ZINC001121267803 1222157961 /nfs/dbraw/zinc/15/79/61/1222157961.db2.gz UREVPNCMVHXUQM-AGTUJZOGSA-N 2 2 357.458 0.809 20 0 FCADLP O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1)NC1CC1 ZINC001121267803 1222157966 /nfs/dbraw/zinc/15/79/66/1222157966.db2.gz UREVPNCMVHXUQM-AGTUJZOGSA-N 2 2 357.458 0.809 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123608291 1222343030 /nfs/dbraw/zinc/34/30/30/1222343030.db2.gz OECALNODOCIAMM-KZNAEPCWSA-N 2 2 368.570 0.194 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123608291 1222343034 /nfs/dbraw/zinc/34/30/34/1222343034.db2.gz OECALNODOCIAMM-KZNAEPCWSA-N 2 2 368.570 0.194 20 0 FCADLP C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)c2N)CC[NH+]1C ZINC000828775757 1222417534 /nfs/dbraw/zinc/41/75/34/1222417534.db2.gz XCJKQDDUXKOOAU-GJZGRUSLSA-N 2 2 373.501 0.821 20 0 FCADLP C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)c2N)CC[NH+]1C ZINC000828775757 1222417539 /nfs/dbraw/zinc/41/75/39/1222417539.db2.gz XCJKQDDUXKOOAU-GJZGRUSLSA-N 2 2 373.501 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1c1cc[nH+]cc1 ZINC000829214415 1222430864 /nfs/dbraw/zinc/43/08/64/1222430864.db2.gz AXVPCNJWJXVERJ-QRQLOZEOSA-N 2 2 374.485 0.999 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770187 1226126253 /nfs/dbraw/zinc/12/62/53/1226126253.db2.gz QNAJMEQHULJMML-IYBDPMFKSA-N 2 2 355.442 0.043 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770187 1226126259 /nfs/dbraw/zinc/12/62/59/1226126259.db2.gz QNAJMEQHULJMML-IYBDPMFKSA-N 2 2 355.442 0.043 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770187 1226126261 /nfs/dbraw/zinc/12/62/61/1226126261.db2.gz QNAJMEQHULJMML-IYBDPMFKSA-N 2 2 355.442 0.043 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC001231770187 1226126264 /nfs/dbraw/zinc/12/62/64/1226126264.db2.gz QNAJMEQHULJMML-IYBDPMFKSA-N 2 2 355.442 0.043 20 0 FCADLP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317103 1222621352 /nfs/dbraw/zinc/62/13/52/1222621352.db2.gz CMZQXVPTTZVVJZ-GOEBONIOSA-N 2 2 367.494 0.637 20 0 FCADLP CN(C)C(=O)O[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317103 1222621357 /nfs/dbraw/zinc/62/13/57/1222621357.db2.gz CMZQXVPTTZVVJZ-GOEBONIOSA-N 2 2 367.494 0.637 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475256 1222680826 /nfs/dbraw/zinc/68/08/26/1222680826.db2.gz BHGDTFFWJDQTPU-OKZBNKHCSA-N 2 2 366.506 0.792 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475256 1222680829 /nfs/dbraw/zinc/68/08/29/1222680829.db2.gz BHGDTFFWJDQTPU-OKZBNKHCSA-N 2 2 366.506 0.792 20 0 FCADLP CC[NH+]1CCN(CCC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC001141948685 1222799860 /nfs/dbraw/zinc/79/98/60/1222799860.db2.gz YLTYSHGSFWTVNO-UHFFFAOYSA-N 2 2 368.522 0.012 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000842163749 1222838229 /nfs/dbraw/zinc/83/82/29/1222838229.db2.gz RUWWFHCUVHSKSH-INIZCTEOSA-N 2 2 370.457 0.792 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000842228101 1222843319 /nfs/dbraw/zinc/84/33/19/1222843319.db2.gz BUFUHGLLCFLZIJ-KRWDZBQOSA-N 2 2 369.469 0.944 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000842832631 1222853315 /nfs/dbraw/zinc/85/33/15/1222853315.db2.gz FMXCRYMYINZKOK-KRWDZBQOSA-N 2 2 360.458 0.761 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246771 1222862552 /nfs/dbraw/zinc/86/25/52/1222862552.db2.gz AIIFTQCXBXRTLR-WCXIOVBPSA-N 2 2 368.522 0.495 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246771 1222862555 /nfs/dbraw/zinc/86/25/55/1222862555.db2.gz AIIFTQCXBXRTLR-WCXIOVBPSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246771 1222862557 /nfs/dbraw/zinc/86/25/57/1222862557.db2.gz AIIFTQCXBXRTLR-WCXIOVBPSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000843246771 1222862560 /nfs/dbraw/zinc/86/25/60/1222862560.db2.gz AIIFTQCXBXRTLR-WCXIOVBPSA-N 2 2 368.522 0.495 20 0 FCADLP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000843265398 1222868615 /nfs/dbraw/zinc/86/86/15/1222868615.db2.gz GAJNBRPWJXSISC-KRWDZBQOSA-N 3 2 367.538 0.249 20 0 FCADLP CN(C(=O)C(=O)NCCCCCC[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000843265398 1222868616 /nfs/dbraw/zinc/86/86/16/1222868616.db2.gz GAJNBRPWJXSISC-KRWDZBQOSA-N 3 2 367.538 0.249 20 0 FCADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c(N)n1 ZINC001143199948 1222869625 /nfs/dbraw/zinc/86/96/25/1222869625.db2.gz MCTXBLGXNUEDKL-NVXWUHKLSA-N 2 2 361.490 0.583 20 0 FCADLP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)c(N)n1 ZINC001143199948 1222869626 /nfs/dbraw/zinc/86/96/26/1222869626.db2.gz MCTXBLGXNUEDKL-NVXWUHKLSA-N 2 2 361.490 0.583 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c(N)n1 ZINC001143199948 1222869627 /nfs/dbraw/zinc/86/96/27/1222869627.db2.gz MCTXBLGXNUEDKL-NVXWUHKLSA-N 2 2 361.490 0.583 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)c(N)n1 ZINC001143199948 1222869630 /nfs/dbraw/zinc/86/96/30/1222869630.db2.gz MCTXBLGXNUEDKL-NVXWUHKLSA-N 2 2 361.490 0.583 20 0 FCADLP CC[N@H+](Cc1ccnc(OC)n1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998327 1222998965 /nfs/dbraw/zinc/99/89/65/1222998965.db2.gz OZOIDFWDXJMJFT-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[N@@H+](Cc1ccnc(OC)n1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998327 1222998968 /nfs/dbraw/zinc/99/89/68/1222998968.db2.gz OZOIDFWDXJMJFT-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[NH+](Cc1ccnc(OC)n1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998327 1222998971 /nfs/dbraw/zinc/99/89/71/1222998971.db2.gz OZOIDFWDXJMJFT-IIAWOOMASA-N 2 2 365.478 0.531 20 0 FCADLP CC[N@H+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020897 1222999021 /nfs/dbraw/zinc/99/90/21/1222999021.db2.gz SAMPKHYJGXAFID-MGPQQGTHSA-N 2 2 367.450 0.159 20 0 FCADLP CC[N@@H+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020897 1222999025 /nfs/dbraw/zinc/99/90/25/1222999025.db2.gz SAMPKHYJGXAFID-MGPQQGTHSA-N 2 2 367.450 0.159 20 0 FCADLP CC[NH+](CC(=O)Nc1ccon1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001154020897 1222999030 /nfs/dbraw/zinc/99/90/30/1222999030.db2.gz SAMPKHYJGXAFID-MGPQQGTHSA-N 2 2 367.450 0.159 20 0 FCADLP CCc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001155378359 1223033696 /nfs/dbraw/zinc/03/36/96/1223033696.db2.gz YBSHDVULCXLLDD-KRWDZBQOSA-N 3 2 360.506 0.735 20 0 FCADLP [NH3+]CCCC[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(=O)N1CCCC1 ZINC001157398624 1223076117 /nfs/dbraw/zinc/07/61/17/1223076117.db2.gz ILVPJVBBAMTVEU-IRXDYDNUSA-N 3 2 361.490 0.495 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(c2noc3ccccc32)CC1 ZINC001157508682 1223077943 /nfs/dbraw/zinc/07/79/43/1223077943.db2.gz WLTDRTRZXZTKEE-HNNXBMFYSA-N 2 2 354.414 0.780 20 0 FCADLP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610378 1223079670 /nfs/dbraw/zinc/07/96/70/1223079670.db2.gz ZRTOEBVDGBRWPL-HRNLXLLQSA-N 2 2 357.454 0.995 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001157999053 1223086276 /nfs/dbraw/zinc/08/62/76/1223086276.db2.gz NKWGGVMVSQSXMP-ZBFHGGJFSA-N 2 2 364.446 0.107 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001157999271 1223086310 /nfs/dbraw/zinc/08/63/10/1223086310.db2.gz PTJQPZUPONSCEF-QZTJIDSGSA-N 2 2 374.485 0.214 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001157999273 1223086703 /nfs/dbraw/zinc/08/67/03/1223086703.db2.gz PTJQPZUPONSCEF-ZWKOTPCHSA-N 2 2 374.485 0.214 20 0 FCADLP CCCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124118 1223089517 /nfs/dbraw/zinc/08/95/17/1223089517.db2.gz HLGLUYBMDRNWQC-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124118 1223089523 /nfs/dbraw/zinc/08/95/23/1223089523.db2.gz HLGLUYBMDRNWQC-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124118 1223089527 /nfs/dbraw/zinc/08/95/27/1223089527.db2.gz HLGLUYBMDRNWQC-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CCCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124118 1223089531 /nfs/dbraw/zinc/08/95/31/1223089531.db2.gz HLGLUYBMDRNWQC-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+][C@@H]1CN(c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC12COC2 ZINC001158769496 1223107572 /nfs/dbraw/zinc/10/75/72/1223107572.db2.gz QORNVHBPQOUCSG-QGZVFWFLSA-N 2 2 366.469 0.967 20 0 FCADLP Cn1ncc2c1CN(C(=O)C1([NH3+])CC[NH2+]CC1)C[C@@H]2COc1cccnc1 ZINC001158843789 1223111120 /nfs/dbraw/zinc/11/11/20/1223111120.db2.gz WZQAZLXJIQFVRS-CQSZACIVSA-N 2 2 370.457 0.401 20 0 FCADLP CC(C)OCc1nn(CC2CC2)c2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159005670 1223115257 /nfs/dbraw/zinc/11/52/57/1223115257.db2.gz FSOYYTXSRIONCX-HOCLYGCPSA-N 2 2 361.490 0.650 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001159075257 1223116625 /nfs/dbraw/zinc/11/66/25/1223116625.db2.gz FLCCGPDNPQMVAP-MDZRGWNJSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001159076242 1223116809 /nfs/dbraw/zinc/11/68/09/1223116809.db2.gz HIYMNMOZSVPHQG-QAPCUYQASA-N 2 2 365.474 0.241 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001159077446 1223117192 /nfs/dbraw/zinc/11/71/92/1223117192.db2.gz PHEYIQUWVBCILH-JTDSTZFVSA-N 2 2 367.490 0.759 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)C1 ZINC001159146273 1223119117 /nfs/dbraw/zinc/11/91/17/1223119117.db2.gz OBWFNLDVBVQCJS-JTDSTZFVSA-N 2 2 357.458 0.254 20 0 FCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159191617 1223120203 /nfs/dbraw/zinc/12/02/03/1223120203.db2.gz IYCVQRPAZDMBRO-AEFFLSMTSA-N 3 2 363.506 0.985 20 0 FCADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H]2CCCO[C@H]12 ZINC001159424799 1223126921 /nfs/dbraw/zinc/12/69/21/1223126921.db2.gz MAXIPDKWPUZEKE-XFKSJGNHSA-N 2 2 374.485 0.650 20 0 FCADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H]2CCCO[C@H]12 ZINC001159424799 1223126923 /nfs/dbraw/zinc/12/69/23/1223126923.db2.gz MAXIPDKWPUZEKE-XFKSJGNHSA-N 2 2 374.485 0.650 20 0 FCADLP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)O2)n1 ZINC001159515365 1223129539 /nfs/dbraw/zinc/12/95/39/1223129539.db2.gz TUKOQGKSGSFCBB-YJNKXOJESA-N 2 2 360.418 0.503 20 0 FCADLP O=C(N1Cc2nccn2C[C@H](COCC2CC2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159585240 1223130533 /nfs/dbraw/zinc/13/05/33/1223130533.db2.gz NNNXYIMTPYRPAW-BXWFABGCSA-N 2 2 359.474 0.220 20 0 FCADLP O=C(CC1CC[NH2+]CC1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634755 1223131682 /nfs/dbraw/zinc/13/16/82/1223131682.db2.gz CWSSYMYTNMZFSC-UHFFFAOYSA-N 2 2 370.457 0.610 20 0 FCADLP C[C@@]1(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC[NH2+]C1 ZINC001159634451 1223131725 /nfs/dbraw/zinc/13/17/25/1223131725.db2.gz YXSAHRPWZUBJHE-GOSISDBHSA-N 2 2 356.430 0.220 20 0 FCADLP N[C@@]1(C(=O)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)CCC[NH2+]C1 ZINC001159677671 1223133551 /nfs/dbraw/zinc/13/35/51/1223133551.db2.gz MPXDLCLZGKMYPS-IBGZPJMESA-N 2 2 359.474 0.360 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159857036 1223138303 /nfs/dbraw/zinc/13/83/03/1223138303.db2.gz VKPMCPZWYLMNEY-WBVHZDCISA-N 3 2 362.449 0.571 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001159857036 1223138305 /nfs/dbraw/zinc/13/83/05/1223138305.db2.gz VKPMCPZWYLMNEY-WBVHZDCISA-N 3 2 362.449 0.571 20 0 FCADLP CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159938156 1223140474 /nfs/dbraw/zinc/14/04/74/1223140474.db2.gz ASOZXAJKEYKKBM-SQNIBIBYSA-N 2 2 370.497 0.930 20 0 FCADLP O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160200736 1223149374 /nfs/dbraw/zinc/14/93/74/1223149374.db2.gz AEDARESNIZCRNB-LLGFUMIMSA-N 2 2 374.529 0.873 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160332832 1223155727 /nfs/dbraw/zinc/15/57/27/1223155727.db2.gz TVRITGJQVOFZOZ-CHWSQXEVSA-N 2 2 364.450 0.091 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160332832 1223155729 /nfs/dbraw/zinc/15/57/29/1223155729.db2.gz TVRITGJQVOFZOZ-CHWSQXEVSA-N 2 2 364.450 0.091 20 0 FCADLP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160484063 1223162676 /nfs/dbraw/zinc/16/26/76/1223162676.db2.gz YAFGRQDQEDVLGI-GOSISDBHSA-N 3 2 357.502 0.643 20 0 FCADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cc1 ZINC001160568234 1223164996 /nfs/dbraw/zinc/16/49/96/1223164996.db2.gz BNCJPXBLHCXCQD-PXNSSMCTSA-N 2 2 373.453 0.353 20 0 FCADLP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160709655 1223169131 /nfs/dbraw/zinc/16/91/31/1223169131.db2.gz HRMITOHLYKRTHZ-WIYYLYMNSA-N 3 2 354.498 0.987 20 0 FCADLP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160709655 1223169134 /nfs/dbraw/zinc/16/91/34/1223169134.db2.gz HRMITOHLYKRTHZ-WIYYLYMNSA-N 3 2 354.498 0.987 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC(OCC(=O)NC3CC3)CC2)cc1 ZINC001160746130 1223170275 /nfs/dbraw/zinc/17/02/75/1223170275.db2.gz AWWUYJLFJXZJBH-KRWDZBQOSA-N 2 2 360.458 0.545 20 0 FCADLP O=C(N1CCN(c2ncc(C(F)(F)F)cn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160842416 1223176777 /nfs/dbraw/zinc/17/67/77/1223176777.db2.gz FFNUYMKFNPSZGC-XHDPSFHLSA-N 2 2 370.379 0.096 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161138363 1223186848 /nfs/dbraw/zinc/18/68/48/1223186848.db2.gz SUYKEDFJJZNNLR-MAUKXSAKSA-N 2 2 359.426 0.439 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C1 ZINC001161138629 1223186858 /nfs/dbraw/zinc/18/68/58/1223186858.db2.gz CCOMSOBQGNCPTM-PXNSSMCTSA-N 2 2 374.485 0.562 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C1 ZINC001161138630 1223186920 /nfs/dbraw/zinc/18/69/20/1223186920.db2.gz CCOMSOBQGNCPTM-XLIONFOSSA-N 2 2 374.485 0.562 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001161238032 1223191389 /nfs/dbraw/zinc/19/13/89/1223191389.db2.gz QNWITMPPLWTWNI-FXAWDEMLSA-N 2 2 359.470 0.915 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001161238032 1223191392 /nfs/dbraw/zinc/19/13/92/1223191392.db2.gz QNWITMPPLWTWNI-FXAWDEMLSA-N 2 2 359.470 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001161248770 1223192017 /nfs/dbraw/zinc/19/20/17/1223192017.db2.gz KQOCFHZXVSJXNK-BRWVUGGUSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001161248770 1223192018 /nfs/dbraw/zinc/19/20/18/1223192018.db2.gz KQOCFHZXVSJXNK-BRWVUGGUSA-N 2 2 371.485 0.893 20 0 FCADLP COc1cnc(O[C@H]2CCN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C2)nc1 ZINC001161298101 1223194367 /nfs/dbraw/zinc/19/43/67/1223194367.db2.gz GJQXKPMZJDAFNA-HOCLYGCPSA-N 2 2 357.414 0.737 20 0 FCADLP CCn1c2ccccc2nc1N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161297210 1223194397 /nfs/dbraw/zinc/19/43/97/1223194397.db2.gz SZDYBBHGHLCKDV-MGPUTAFESA-N 2 2 368.485 0.656 20 0 FCADLP CCn1c2ccccc2nc1N1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001161296639 1223194432 /nfs/dbraw/zinc/19/44/32/1223194432.db2.gz MZTZZYGPYQAVTG-BHYGNILZSA-N 2 2 368.485 0.655 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001161306780 1223194834 /nfs/dbraw/zinc/19/48/34/1223194834.db2.gz YXUWLSHKNIBTOT-WMZOPIPTSA-N 2 2 373.501 0.813 20 0 FCADLP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380837 1223197631 /nfs/dbraw/zinc/19/76/31/1223197631.db2.gz VYNKJAOKYJRWNC-VQIMIIECSA-N 3 2 358.486 0.906 20 0 FCADLP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001161436497 1223199288 /nfs/dbraw/zinc/19/92/88/1223199288.db2.gz JUIFCDQYWQGSKP-HNNXBMFYSA-N 2 2 361.425 0.332 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191639 1223211221 /nfs/dbraw/zinc/21/12/21/1223211221.db2.gz WHPRZEIDYJVNMK-MRXNPFEDSA-N 2 2 360.506 0.859 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)CC1 ZINC001162191639 1223211223 /nfs/dbraw/zinc/21/12/23/1223211223.db2.gz WHPRZEIDYJVNMK-MRXNPFEDSA-N 2 2 360.506 0.859 20 0 FCADLP CCOC(=O)c1c(C[NH3+])ncn1-c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001162537688 1223218046 /nfs/dbraw/zinc/21/80/46/1223218046.db2.gz ZBMXGDUKJXSDMW-UHFFFAOYSA-N 2 2 371.441 0.895 20 0 FCADLP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)on1 ZINC001162996407 1223223354 /nfs/dbraw/zinc/22/33/54/1223223354.db2.gz SCXXCKZMTBYQLU-WBVHZDCISA-N 2 2 366.462 0.459 20 0 FCADLP COc1ccc(C[NH+]2CCN(C)CC2)cc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163254616 1223228494 /nfs/dbraw/zinc/22/84/94/1223228494.db2.gz OPXFWDSBDJRTQA-HKUYNNGSSA-N 2 2 359.474 0.433 20 0 FCADLP CN1CCN(c2cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]cn2)CC1=O ZINC001163278837 1223228703 /nfs/dbraw/zinc/22/87/03/1223228703.db2.gz KONVREVUEATVLX-RDTXWAMCSA-N 2 2 360.462 0.326 20 0 FCADLP CN1CCN(c2cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc[nH+]2)CC1=O ZINC001163278837 1223228705 /nfs/dbraw/zinc/22/87/05/1223228705.db2.gz KONVREVUEATVLX-RDTXWAMCSA-N 2 2 360.462 0.326 20 0 FCADLP CCNC(=O)CO[C@@H]1CCCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001165163729 1223243088 /nfs/dbraw/zinc/24/30/88/1223243088.db2.gz XWVDRZAMLQWMOF-MRXNPFEDSA-N 2 2 361.490 0.955 20 0 FCADLP O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)c3)cc21 ZINC001165271394 1223244136 /nfs/dbraw/zinc/24/41/36/1223244136.db2.gz SSPKBOGIIXBYEL-RDJZCZTQSA-N 2 2 353.426 0.930 20 0 FCADLP c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2ncnc3c2C[NH2+]C3)nc1 ZINC001165459897 1223246388 /nfs/dbraw/zinc/24/63/88/1223246388.db2.gz LUHMNDTWPDJUFZ-UHFFFAOYSA-N 2 2 350.386 0.842 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001165727621 1223254680 /nfs/dbraw/zinc/25/46/80/1223254680.db2.gz DVWGWMKYENKFQL-UMVBOHGHSA-N 2 2 364.494 0.769 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)[nH]1 ZINC001165727621 1223254686 /nfs/dbraw/zinc/25/46/86/1223254686.db2.gz DVWGWMKYENKFQL-UMVBOHGHSA-N 2 2 364.494 0.769 20 0 FCADLP COCCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001205519611 1223330761 /nfs/dbraw/zinc/33/07/61/1223330761.db2.gz XCYDFIVQIAJAPF-DLBZAZTESA-N 2 2 362.474 0.859 20 0 FCADLP Cn1ccc(C[N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)n1 ZINC001206285209 1223352993 /nfs/dbraw/zinc/35/29/93/1223352993.db2.gz HAFUSLOKPGIKHK-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP Cn1ccc(C[N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)n1 ZINC001206285209 1223352997 /nfs/dbraw/zinc/35/29/97/1223352997.db2.gz HAFUSLOKPGIKHK-UHFFFAOYSA-N 2 2 368.445 0.338 20 0 FCADLP CC(C)(CN1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)[NH+]1CCOCC1 ZINC001207302124 1223434266 /nfs/dbraw/zinc/43/42/66/1223434266.db2.gz GOQQQDLWWPTLPI-IAGOWNOFSA-N 2 2 361.490 0.725 20 0 FCADLP CC(C)(CN1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)[NH+]1CCOCC1 ZINC001207302124 1223434270 /nfs/dbraw/zinc/43/42/70/1223434270.db2.gz GOQQQDLWWPTLPI-IAGOWNOFSA-N 2 2 361.490 0.725 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@H+](C[C@@H]1CCCOC1)CC2 ZINC001207463702 1223448323 /nfs/dbraw/zinc/44/83/23/1223448323.db2.gz JYZMEVIYAMFFRC-HNNXBMFYSA-N 2 2 361.490 0.592 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1C[N@@H+](C[C@@H]1CCCOC1)CC2 ZINC001207463702 1223448329 /nfs/dbraw/zinc/44/83/29/1223448329.db2.gz JYZMEVIYAMFFRC-HNNXBMFYSA-N 2 2 361.490 0.592 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)o1 ZINC001207547032 1223454230 /nfs/dbraw/zinc/45/42/30/1223454230.db2.gz ISZAPFUFPDCKJW-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)o1 ZINC001207547032 1223454233 /nfs/dbraw/zinc/45/42/33/1223454233.db2.gz ISZAPFUFPDCKJW-KBRIMQKVSA-N 2 2 360.462 0.746 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207546808 1223454573 /nfs/dbraw/zinc/45/45/73/1223454573.db2.gz AQFXPXWTLCVSRK-KBAYOESNSA-N 2 2 356.474 0.845 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207546808 1223454576 /nfs/dbraw/zinc/45/45/76/1223454576.db2.gz AQFXPXWTLCVSRK-KBAYOESNSA-N 2 2 356.474 0.845 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568058 1223458156 /nfs/dbraw/zinc/45/81/56/1223458156.db2.gz MOQKGQYEFSXBTA-UKRRQHHQSA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568058 1223458159 /nfs/dbraw/zinc/45/81/59/1223458159.db2.gz MOQKGQYEFSXBTA-UKRRQHHQSA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207568058 1223458163 /nfs/dbraw/zinc/45/81/63/1223458163.db2.gz MOQKGQYEFSXBTA-UKRRQHHQSA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207568058 1223458166 /nfs/dbraw/zinc/45/81/66/1223458166.db2.gz MOQKGQYEFSXBTA-UKRRQHHQSA-N 2 2 367.494 0.143 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207859232 1223486896 /nfs/dbraw/zinc/48/68/96/1223486896.db2.gz MEBMWFOQAFQJJO-NVXWUHKLSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207859232 1223486899 /nfs/dbraw/zinc/48/68/99/1223486899.db2.gz MEBMWFOQAFQJJO-NVXWUHKLSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061450 1223511579 /nfs/dbraw/zinc/51/15/79/1223511579.db2.gz DIMVWNMBPYGLEI-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208061450 1223511583 /nfs/dbraw/zinc/51/15/83/1223511583.db2.gz DIMVWNMBPYGLEI-IXDOHACOSA-N 2 2 364.490 0.985 20 0 FCADLP C[NH+](C)CCN1CCC2(CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC001276566349 1223523054 /nfs/dbraw/zinc/52/30/54/1223523054.db2.gz OJNAIWDEBYPNIT-UHFFFAOYSA-N 2 2 354.458 0.977 20 0 FCADLP C[N@H+](C1CCOCC1)C1CC[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CC1 ZINC001209276214 1223606984 /nfs/dbraw/zinc/60/69/84/1223606984.db2.gz WOEHANPJGUOVCT-FGTMMUONSA-N 2 2 372.506 0.435 20 0 FCADLP C[N@@H+](C1CCOCC1)C1CC[NH+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)CC1 ZINC001209276214 1223606987 /nfs/dbraw/zinc/60/69/87/1223606987.db2.gz WOEHANPJGUOVCT-FGTMMUONSA-N 2 2 372.506 0.435 20 0 FCADLP COC1CC[NH+](C2CC[NH+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)CC2)CC1 ZINC001209281978 1223607242 /nfs/dbraw/zinc/60/72/42/1223607242.db2.gz ZMGJYFOJXHKKME-FGTMMUONSA-N 2 2 372.506 0.435 20 0 FCADLP Cc1cccc(CO[C@@H]2C[C@H]3CN(CC[NH+]4CCOCC4)CC[N@@H+]3C2)n1 ZINC001209289502 1223608086 /nfs/dbraw/zinc/60/80/86/1223608086.db2.gz DKUFSPBFDBKHBE-VQTJNVASSA-N 2 2 360.502 0.997 20 0 FCADLP Cc1cccc(CO[C@@H]2C[C@H]3CN(CC[NH+]4CCOCC4)CC[N@H+]3C2)n1 ZINC001209289502 1223608089 /nfs/dbraw/zinc/60/80/89/1223608089.db2.gz DKUFSPBFDBKHBE-VQTJNVASSA-N 2 2 360.502 0.997 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515344 1223627099 /nfs/dbraw/zinc/62/70/99/1223627099.db2.gz VVMFSRFMJKXGNC-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515344 1223627102 /nfs/dbraw/zinc/62/71/02/1223627102.db2.gz VVMFSRFMJKXGNC-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP NC(=O)CCCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276671200 1223646192 /nfs/dbraw/zinc/64/61/92/1223646192.db2.gz MTDCSQNJNJDFOS-GOSISDBHSA-N 2 2 363.462 0.232 20 0 FCADLP NC(=O)CCCCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276671200 1223646195 /nfs/dbraw/zinc/64/61/95/1223646195.db2.gz MTDCSQNJNJDFOS-GOSISDBHSA-N 2 2 363.462 0.232 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251681 1223678536 /nfs/dbraw/zinc/67/85/36/1223678536.db2.gz XPKNIQXJEZNFNJ-UKPHBRMFSA-N 2 2 359.430 0.325 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251681 1223678538 /nfs/dbraw/zinc/67/85/38/1223678538.db2.gz XPKNIQXJEZNFNJ-UKPHBRMFSA-N 2 2 359.430 0.325 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210284858 1223680474 /nfs/dbraw/zinc/68/04/74/1223680474.db2.gz UJRUOHFJNHJIEC-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001210284858 1223680478 /nfs/dbraw/zinc/68/04/78/1223680478.db2.gz UJRUOHFJNHJIEC-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1)c1ccco1 ZINC001211031891 1223720064 /nfs/dbraw/zinc/72/00/64/1223720064.db2.gz PKUNHVLVUDXFBP-OWCLPIDISA-N 2 2 362.474 0.989 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1)c1ccco1 ZINC001211031891 1223720066 /nfs/dbraw/zinc/72/00/66/1223720066.db2.gz PKUNHVLVUDXFBP-OWCLPIDISA-N 2 2 362.474 0.989 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1C ZINC001211039735 1223721068 /nfs/dbraw/zinc/72/10/68/1223721068.db2.gz UGUUYOMFGUHTFF-CRAIPNDOSA-N 2 2 369.469 0.944 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1C ZINC001211039735 1223721070 /nfs/dbraw/zinc/72/10/70/1223721070.db2.gz UGUUYOMFGUHTFF-CRAIPNDOSA-N 2 2 369.469 0.944 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001211046464 1223721585 /nfs/dbraw/zinc/72/15/85/1223721585.db2.gz PYIMAOHYZNQGOD-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001211046464 1223721587 /nfs/dbraw/zinc/72/15/87/1223721587.db2.gz PYIMAOHYZNQGOD-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001211046801 1223721648 /nfs/dbraw/zinc/72/16/48/1223721648.db2.gz VSJUCNXFEWTFBD-BFYDXBDKSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001211046801 1223721649 /nfs/dbraw/zinc/72/16/49/1223721649.db2.gz VSJUCNXFEWTFBD-BFYDXBDKSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451696 1223743650 /nfs/dbraw/zinc/74/36/50/1223743650.db2.gz FUOJKXRJNWVPFU-HLLBOEOZSA-N 2 2 362.430 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451696 1223743655 /nfs/dbraw/zinc/74/36/55/1223743655.db2.gz FUOJKXRJNWVPFU-HLLBOEOZSA-N 2 2 362.430 0.490 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452509 1223744182 /nfs/dbraw/zinc/74/41/82/1223744182.db2.gz ZGGCTYSDYCXGCU-BZUAXINKSA-N 2 2 365.478 0.251 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452509 1223744183 /nfs/dbraw/zinc/74/41/83/1223744183.db2.gz ZGGCTYSDYCXGCU-BZUAXINKSA-N 2 2 365.478 0.251 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213770 1223769544 /nfs/dbraw/zinc/76/95/44/1223769544.db2.gz RMZNCMRATJDRQO-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213770 1223769546 /nfs/dbraw/zinc/76/95/46/1223769546.db2.gz RMZNCMRATJDRQO-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346393 1223788881 /nfs/dbraw/zinc/78/88/81/1223788881.db2.gz KTXDWEOJKSEONK-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346393 1223788885 /nfs/dbraw/zinc/78/88/85/1223788885.db2.gz KTXDWEOJKSEONK-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374685 1223791948 /nfs/dbraw/zinc/79/19/48/1223791948.db2.gz ROZUDPBJHLSPGR-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374685 1223791950 /nfs/dbraw/zinc/79/19/50/1223791950.db2.gz ROZUDPBJHLSPGR-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399816 1223794400 /nfs/dbraw/zinc/79/44/00/1223794400.db2.gz MJVNVUXSFWYPCK-JFIYKMOQSA-N 2 2 368.522 0.256 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399816 1223794403 /nfs/dbraw/zinc/79/44/03/1223794403.db2.gz MJVNVUXSFWYPCK-JFIYKMOQSA-N 2 2 368.522 0.256 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446378 1223800145 /nfs/dbraw/zinc/80/01/45/1223800145.db2.gz JYQJQJMIQCHWMD-HZPDHXFCSA-N 2 2 370.538 0.648 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446378 1223800146 /nfs/dbraw/zinc/80/01/46/1223800146.db2.gz JYQJQJMIQCHWMD-HZPDHXFCSA-N 2 2 370.538 0.648 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446378 1223800147 /nfs/dbraw/zinc/80/01/47/1223800147.db2.gz JYQJQJMIQCHWMD-HZPDHXFCSA-N 2 2 370.538 0.648 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446378 1223800148 /nfs/dbraw/zinc/80/01/48/1223800148.db2.gz JYQJQJMIQCHWMD-HZPDHXFCSA-N 2 2 370.538 0.648 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213594457 1223820049 /nfs/dbraw/zinc/82/00/49/1223820049.db2.gz GUNLASVUPQQUMB-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213594457 1223820052 /nfs/dbraw/zinc/82/00/52/1223820052.db2.gz GUNLASVUPQQUMB-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC)C(C)C ZINC001213594496 1223820105 /nfs/dbraw/zinc/82/01/05/1223820105.db2.gz IJVJMPHCKLHSOE-JFIYKMOQSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC)C(C)C ZINC001213594496 1223820107 /nfs/dbraw/zinc/82/01/07/1223820107.db2.gz IJVJMPHCKLHSOE-JFIYKMOQSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213597237 1223820547 /nfs/dbraw/zinc/82/05/47/1223820547.db2.gz ZNFMWFRTXNWLDO-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213597237 1223820548 /nfs/dbraw/zinc/82/05/48/1223820548.db2.gz ZNFMWFRTXNWLDO-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638515 1223826323 /nfs/dbraw/zinc/82/63/23/1223826323.db2.gz RRZHHAOZSCUMNH-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638515 1223826325 /nfs/dbraw/zinc/82/63/25/1223826325.db2.gz RRZHHAOZSCUMNH-IAGOWNOFSA-N 2 2 366.462 0.409 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213675979 1223831042 /nfs/dbraw/zinc/83/10/42/1223831042.db2.gz JTOXKEOXRGKZEM-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213675979 1223831043 /nfs/dbraw/zinc/83/10/43/1223831043.db2.gz JTOXKEOXRGKZEM-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213675979 1223831045 /nfs/dbraw/zinc/83/10/45/1223831045.db2.gz JTOXKEOXRGKZEM-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001213675979 1223831046 /nfs/dbraw/zinc/83/10/46/1223831046.db2.gz JTOXKEOXRGKZEM-HZPDHXFCSA-N 2 2 365.478 0.451 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213676291 1223831639 /nfs/dbraw/zinc/83/16/39/1223831639.db2.gz ZRPIYCYOLFOBTC-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213676291 1223831640 /nfs/dbraw/zinc/83/16/40/1223831640.db2.gz ZRPIYCYOLFOBTC-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213676291 1223831641 /nfs/dbraw/zinc/83/16/41/1223831641.db2.gz ZRPIYCYOLFOBTC-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213676291 1223831643 /nfs/dbraw/zinc/83/16/43/1223831643.db2.gz ZRPIYCYOLFOBTC-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721446 1223839223 /nfs/dbraw/zinc/83/92/23/1223839223.db2.gz OYKJABPWEJEXNY-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721446 1223839224 /nfs/dbraw/zinc/83/92/24/1223839224.db2.gz OYKJABPWEJEXNY-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721446 1223839225 /nfs/dbraw/zinc/83/92/25/1223839225.db2.gz OYKJABPWEJEXNY-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1)C1CC1 ZINC001213721446 1223839227 /nfs/dbraw/zinc/83/92/27/1223839227.db2.gz OYKJABPWEJEXNY-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728557 1223840347 /nfs/dbraw/zinc/84/03/47/1223840347.db2.gz MWFOHOJULPRSSF-ARFHVFGLSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728557 1223840349 /nfs/dbraw/zinc/84/03/49/1223840349.db2.gz MWFOHOJULPRSSF-ARFHVFGLSA-N 2 2 366.506 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914592 1223871308 /nfs/dbraw/zinc/87/13/08/1223871308.db2.gz MSCUXKBWKCJYEW-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914592 1223871310 /nfs/dbraw/zinc/87/13/10/1223871310.db2.gz MSCUXKBWKCJYEW-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916894 1223871977 /nfs/dbraw/zinc/87/19/77/1223871977.db2.gz PZKDNAIYZLMYAA-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916894 1223871980 /nfs/dbraw/zinc/87/19/80/1223871980.db2.gz PZKDNAIYZLMYAA-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921460 1223873183 /nfs/dbraw/zinc/87/31/83/1223873183.db2.gz AEHJZUHBWANEAJ-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921460 1223873186 /nfs/dbraw/zinc/87/31/86/1223873186.db2.gz AEHJZUHBWANEAJ-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC001214388549 1223906588 /nfs/dbraw/zinc/90/65/88/1223906588.db2.gz BEKGKJXCDUCWST-OIISXLGYSA-N 2 2 360.458 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC001214388549 1223906590 /nfs/dbraw/zinc/90/65/90/1223906590.db2.gz BEKGKJXCDUCWST-OIISXLGYSA-N 2 2 360.458 0.392 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)o1 ZINC001276713016 1223924929 /nfs/dbraw/zinc/92/49/29/1223924929.db2.gz VJQZNEOZKBGPPQ-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)o1 ZINC001276713016 1223924933 /nfs/dbraw/zinc/92/49/33/1223924933.db2.gz VJQZNEOZKBGPPQ-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672419 1223930817 /nfs/dbraw/zinc/93/08/17/1223930817.db2.gz KDSPDKNMZCXTLB-GDBMZVCRSA-N 2 2 361.490 0.677 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001215006609 1223963643 /nfs/dbraw/zinc/96/36/43/1223963643.db2.gz XZXHFSKFGWONRA-SUYBPPKGSA-N 2 2 361.490 0.738 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001215006609 1223963646 /nfs/dbraw/zinc/96/36/46/1223963646.db2.gz XZXHFSKFGWONRA-SUYBPPKGSA-N 2 2 361.490 0.738 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215225980 1223983632 /nfs/dbraw/zinc/98/36/32/1223983632.db2.gz AXZGDFGKOKKPDI-OIISXLGYSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001215269308 1223987070 /nfs/dbraw/zinc/98/70/70/1223987070.db2.gz VDRROKNKYDPCHR-BZUAXINKSA-N 2 2 363.462 0.005 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)on1 ZINC001215686104 1224012798 /nfs/dbraw/zinc/01/27/98/1224012798.db2.gz ZEPSVXKLMSLCDI-SCDSUCTJSA-N 2 2 360.418 0.712 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1)n1cc[nH+]c1 ZINC001215704863 1224012953 /nfs/dbraw/zinc/01/29/53/1224012953.db2.gz ARWNZPLPYDWMCH-RBSFLKMASA-N 2 2 371.445 0.699 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215704939 1224013240 /nfs/dbraw/zinc/01/32/40/1224013240.db2.gz DWXSQZADEIDDPU-BZUAXINKSA-N 2 2 364.494 0.978 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001215741862 1224014682 /nfs/dbraw/zinc/01/46/82/1224014682.db2.gz DJVNENYNUUKCFW-HZPDHXFCSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC001216383607 1224047936 /nfs/dbraw/zinc/04/79/36/1224047936.db2.gz PCVPNTGEDFATSX-CRAIPNDOSA-N 2 2 369.469 0.716 20 0 FCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001216401595 1224048643 /nfs/dbraw/zinc/04/86/43/1224048643.db2.gz NQKGFVXSBPMJOV-ZIAGYGMSSA-N 2 2 367.494 0.882 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)n1 ZINC001216401323 1224048697 /nfs/dbraw/zinc/04/86/97/1224048697.db2.gz JZPMXVXXSMOEFD-MGPQQGTHSA-N 2 2 369.466 0.292 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC001216630462 1224059260 /nfs/dbraw/zinc/05/92/60/1224059260.db2.gz GTQUVPIDIWAJOB-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001216802618 1224073395 /nfs/dbraw/zinc/07/33/95/1224073395.db2.gz BOCVYMDAXHTERI-LZQZEXGQSA-N 2 2 365.518 0.960 20 0 FCADLP Cc1cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)on1 ZINC001276749170 1224081362 /nfs/dbraw/zinc/08/13/62/1224081362.db2.gz GMOWMJCQNCCALK-SFHVURJKSA-N 2 2 359.430 0.931 20 0 FCADLP Cc1cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3)C2)on1 ZINC001276749170 1224081365 /nfs/dbraw/zinc/08/13/65/1224081365.db2.gz GMOWMJCQNCCALK-SFHVURJKSA-N 2 2 359.430 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001216974187 1224082843 /nfs/dbraw/zinc/08/28/43/1224082843.db2.gz CJWDJNGLTXMORX-ZIAGYGMSSA-N 2 2 360.418 0.727 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216988078 1224083597 /nfs/dbraw/zinc/08/35/97/1224083597.db2.gz PFDQZRQGWBOTBA-HZPDHXFCSA-N 2 2 365.478 0.253 20 0 FCADLP COCc1nc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)no1 ZINC001276750629 1224084585 /nfs/dbraw/zinc/08/45/85/1224084585.db2.gz ITBZFCQMGRZGRA-GOSISDBHSA-N 2 2 365.478 0.982 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)c2ccccc2[C@]12CC[N@@H+](C[C@H](O)CO)C2 ZINC001277717952 1226170807 /nfs/dbraw/zinc/17/08/07/1226170807.db2.gz ATIPEQSYAYWXLZ-HNAYVOBHSA-N 2 2 356.426 0.227 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)c2ccccc2[C@]12CC[N@H+](C[C@H](O)CO)C2 ZINC001277717952 1226170808 /nfs/dbraw/zinc/17/08/08/1226170808.db2.gz ATIPEQSYAYWXLZ-HNAYVOBHSA-N 2 2 356.426 0.227 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978331919 1248729906 /nfs/dbraw/zinc/72/99/06/1248729906.db2.gz GHTKCCYUFRHYRD-FXXCCUJSSA-N 2 2 359.474 0.298 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978331919 1248729912 /nfs/dbraw/zinc/72/99/12/1248729912.db2.gz GHTKCCYUFRHYRD-FXXCCUJSSA-N 2 2 359.474 0.298 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978331919 1248729917 /nfs/dbraw/zinc/72/99/17/1248729917.db2.gz GHTKCCYUFRHYRD-FXXCCUJSSA-N 2 2 359.474 0.298 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC000978331919 1248729922 /nfs/dbraw/zinc/72/99/22/1248729922.db2.gz GHTKCCYUFRHYRD-FXXCCUJSSA-N 2 2 359.474 0.298 20 0 FCADLP 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CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000988092640 1249337785 /nfs/dbraw/zinc/33/77/85/1249337785.db2.gz BNVMJFRXRFNEQA-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C(=O)C12CC[NH+](CC1)C2 ZINC000988092640 1249337787 /nfs/dbraw/zinc/33/77/87/1249337787.db2.gz BNVMJFRXRFNEQA-BZUAXINKSA-N 2 2 371.485 0.916 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)[NH+](C)C ZINC000993489526 1249584110 /nfs/dbraw/zinc/58/41/10/1249584110.db2.gz ATRKDVNYQDIYTP-UCLAIMLFSA-N 2 2 361.490 0.845 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000993572896 1249715213 /nfs/dbraw/zinc/71/52/13/1249715213.db2.gz QJWMJHXERKYADX-BRWVUGGUSA-N 2 2 371.485 0.583 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000993577516 1249724025 /nfs/dbraw/zinc/72/40/25/1249724025.db2.gz SLURSJCHGCCNRW-GVDBMIGSSA-N 2 2 361.490 0.829 20 0 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LLPFTNAYRBAWSX-GRZALLJUSA-N 2 2 359.474 0.551 20 0 FCADLP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998985023 1252014314 /nfs/dbraw/zinc/01/43/14/1252014314.db2.gz UVPBUCBIYQMNNH-XSCHDIRWSA-N 2 2 365.478 0.820 20 0 FCADLP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000998985023 1252014318 /nfs/dbraw/zinc/01/43/18/1252014318.db2.gz UVPBUCBIYQMNNH-XSCHDIRWSA-N 2 2 365.478 0.820 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000999418925 1252113568 /nfs/dbraw/zinc/11/35/68/1252113568.db2.gz GTQXCQOXFYYDFO-BFHYXJOUSA-N 2 2 359.430 0.243 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000999418925 1252113573 /nfs/dbraw/zinc/11/35/73/1252113573.db2.gz GTQXCQOXFYYDFO-BFHYXJOUSA-N 2 2 359.430 0.243 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC000999499058 1252127946 /nfs/dbraw/zinc/12/79/46/1252127946.db2.gz YWFMGNVBPXIPOH-BPLDGKMQSA-N 2 2 363.462 0.747 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC000999499058 1252127954 /nfs/dbraw/zinc/12/79/54/1252127954.db2.gz YWFMGNVBPXIPOH-BPLDGKMQSA-N 2 2 363.462 0.747 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000999733324 1252182295 /nfs/dbraw/zinc/18/22/95/1252182295.db2.gz IBXKQBFQDJCNGQ-UGUYLWEFSA-N 2 2 357.458 0.542 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC[N@@H+]1C ZINC000999735596 1252183523 /nfs/dbraw/zinc/18/35/23/1252183523.db2.gz OJQBDXBNNNMLPK-CWVYHPPDSA-N 2 2 359.474 0.931 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC[N@H+]1C ZINC000999735596 1252183528 /nfs/dbraw/zinc/18/35/28/1252183528.db2.gz OJQBDXBNNNMLPK-CWVYHPPDSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)CC[N@@H+]1C ZINC001002780870 1252670479 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/nfs/dbraw/zinc/77/13/69/1252771369.db2.gz XGYOTUFGFUGJTQ-SJKOYZFVSA-N 2 2 371.441 0.470 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC001003739423 1253085488 /nfs/dbraw/zinc/08/54/88/1253085488.db2.gz DIDZEEKIOFGBQD-OAGGEKHMSA-N 2 2 357.458 0.760 20 0 FCADLP CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2)[NH+](C)C ZINC001004364633 1253301218 /nfs/dbraw/zinc/30/12/18/1253301218.db2.gz NKJOMOQESDHQAL-KBEGMRNHSA-N 2 2 361.490 0.797 20 0 FCADLP CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2)[NH+](C)C ZINC001004364639 1253301380 /nfs/dbraw/zinc/30/13/80/1253301380.db2.gz NKJOMOQESDHQAL-NYCLONFESA-N 2 2 361.490 0.797 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004392713 1253312515 /nfs/dbraw/zinc/31/25/15/1253312515.db2.gz XBTLFNUHTVSCRI-KFWWJZLASA-N 2 2 357.458 0.686 20 0 FCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001329241720 1265718841 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/nfs/dbraw/zinc/92/47/36/1253924736.db2.gz ZPOSBEMUVDCMIV-VSZNYVQBSA-N 2 2 361.490 0.504 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001032473703 1253924741 /nfs/dbraw/zinc/92/47/41/1253924741.db2.gz ZPOSBEMUVDCMIV-VSZNYVQBSA-N 2 2 361.490 0.504 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185302 1253948595 /nfs/dbraw/zinc/94/85/95/1253948595.db2.gz NIVOYBWOVJSMOT-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185302 1253948601 /nfs/dbraw/zinc/94/86/01/1253948601.db2.gz NIVOYBWOVJSMOT-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185302 1253948607 /nfs/dbraw/zinc/94/86/07/1253948607.db2.gz NIVOYBWOVJSMOT-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001033185302 1253948610 /nfs/dbraw/zinc/94/86/10/1253948610.db2.gz NIVOYBWOVJSMOT-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184840 1253948857 /nfs/dbraw/zinc/94/88/57/1253948857.db2.gz LAJLUZPMLRVNBG-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184840 1253948865 /nfs/dbraw/zinc/94/88/65/1253948865.db2.gz LAJLUZPMLRVNBG-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184840 1253948869 /nfs/dbraw/zinc/94/88/69/1253948869.db2.gz LAJLUZPMLRVNBG-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184840 1253948877 /nfs/dbraw/zinc/94/88/77/1253948877.db2.gz LAJLUZPMLRVNBG-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001519903496 1265798750 /nfs/dbraw/zinc/79/87/50/1265798750.db2.gz ZJCCKSOKKRTUEB-CRAIPNDOSA-N 2 2 367.538 0.563 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001519903496 1265798755 /nfs/dbraw/zinc/79/87/55/1265798755.db2.gz ZJCCKSOKKRTUEB-CRAIPNDOSA-N 2 2 367.538 0.563 20 0 FCADLP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001034270415 1253980499 /nfs/dbraw/zinc/98/04/99/1253980499.db2.gz AQPAGZBRSLBKNY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001034270415 1253980510 /nfs/dbraw/zinc/98/05/10/1253980510.db2.gz AQPAGZBRSLBKNY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001034270415 1253980520 /nfs/dbraw/zinc/98/05/20/1253980520.db2.gz AQPAGZBRSLBKNY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001034270415 1253980525 /nfs/dbraw/zinc/98/05/25/1253980525.db2.gz AQPAGZBRSLBKNY-IJEWVQPXSA-N 2 2 366.462 0.873 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001034272360 1253984405 /nfs/dbraw/zinc/98/44/05/1253984405.db2.gz LRVDUWMJMCHONG-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](CC(=O)N3CCCC3)C2)O1 ZINC001034272360 1253984408 /nfs/dbraw/zinc/98/44/08/1253984408.db2.gz LRVDUWMJMCHONG-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)O1 ZINC001034272360 1253984415 /nfs/dbraw/zinc/98/44/15/1253984415.db2.gz LRVDUWMJMCHONG-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC(=O)N3CCCC3)C2)O1 ZINC001034272360 1253984425 /nfs/dbraw/zinc/98/44/25/1253984425.db2.gz LRVDUWMJMCHONG-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665713 1253997496 /nfs/dbraw/zinc/99/74/96/1253997496.db2.gz RKBXSJJBPUXCOP-KBUPBQIOSA-N 2 2 360.462 0.555 20 0 FCADLP O=C(N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665713 1253997505 /nfs/dbraw/zinc/99/75/05/1253997505.db2.gz RKBXSJJBPUXCOP-KBUPBQIOSA-N 2 2 360.462 0.555 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3nnnn3C)cc2)CC[N@@H+]1C ZINC001034818151 1254006734 /nfs/dbraw/zinc/00/67/34/1254006734.db2.gz BMDJRDCHKPCBNV-DLBZAZTESA-N 2 2 371.489 0.846 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3nnnn3C)cc2)CC[N@H+]1C ZINC001034818151 1254006742 /nfs/dbraw/zinc/00/67/42/1254006742.db2.gz BMDJRDCHKPCBNV-DLBZAZTESA-N 2 2 371.489 0.846 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001034939474 1254009828 /nfs/dbraw/zinc/00/98/28/1254009828.db2.gz BQHCHFHNALUBKW-RBSFLKMASA-N 2 2 363.510 0.849 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001034939474 1254009837 /nfs/dbraw/zinc/00/98/37/1254009837.db2.gz BQHCHFHNALUBKW-RBSFLKMASA-N 2 2 363.510 0.849 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034971318 1254013654 /nfs/dbraw/zinc/01/36/54/1254013654.db2.gz JXMRMTXVJXHNMQ-BZUAXINKSA-N 2 2 364.494 0.488 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034971318 1254013661 /nfs/dbraw/zinc/01/36/61/1254013661.db2.gz JXMRMTXVJXHNMQ-BZUAXINKSA-N 2 2 364.494 0.488 20 0 FCADLP CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001035459185 1254043876 /nfs/dbraw/zinc/04/38/76/1254043876.db2.gz HZFTXGOVGUNPPS-SQNIBIBYSA-N 2 2 369.506 0.483 20 0 FCADLP CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001035459185 1254043888 /nfs/dbraw/zinc/04/38/88/1254043888.db2.gz HZFTXGOVGUNPPS-SQNIBIBYSA-N 2 2 369.506 0.483 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001061933159 1254237731 /nfs/dbraw/zinc/23/77/31/1254237731.db2.gz QEHVRPKHHHUTQO-OWCLPIDISA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001061933159 1254237739 /nfs/dbraw/zinc/23/77/39/1254237739.db2.gz QEHVRPKHHHUTQO-OWCLPIDISA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCc3c[nH+]cn3C)CCC2)CC[N@@H+]1C ZINC001063221874 1254316999 /nfs/dbraw/zinc/31/69/99/1254316999.db2.gz NBHKEXBFSYNXAH-GDBMZVCRSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCc3c[nH+]cn3C)CCC2)CC[N@H+]1C ZINC001063221874 1254317000 /nfs/dbraw/zinc/31/70/00/1254317000.db2.gz NBHKEXBFSYNXAH-GDBMZVCRSA-N 2 2 361.490 0.848 20 0 FCADLP CCc1nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001065628487 1254559307 /nfs/dbraw/zinc/55/93/07/1254559307.db2.gz PFULKEPSAIZKSH-WCVJEAGWSA-N 2 2 361.490 0.696 20 0 FCADLP CCc1nc(N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc(C)[nH+]1 ZINC001065628487 1254559311 /nfs/dbraw/zinc/55/93/11/1254559311.db2.gz PFULKEPSAIZKSH-WCVJEAGWSA-N 2 2 361.490 0.696 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001065713402 1254583057 /nfs/dbraw/zinc/58/30/57/1254583057.db2.gz RMHCUUMHFCLWQG-MBOZVWFJSA-N 2 2 362.518 0.873 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@H]2O)C1 ZINC001077553247 1254678461 /nfs/dbraw/zinc/67/84/61/1254678461.db2.gz HVZNHYCKAGSKEQ-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@H]2O)C1 ZINC001077553247 1254678479 /nfs/dbraw/zinc/67/84/79/1254678479.db2.gz HVZNHYCKAGSKEQ-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2O)C1 ZINC001077553247 1254678488 /nfs/dbraw/zinc/67/84/88/1254678488.db2.gz HVZNHYCKAGSKEQ-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2O)C1 ZINC001077553247 1254678501 /nfs/dbraw/zinc/67/85/01/1254678501.db2.gz HVZNHYCKAGSKEQ-KBAYOESNSA-N 2 2 361.490 0.568 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cc1 ZINC001077676770 1254858576 /nfs/dbraw/zinc/85/85/76/1254858576.db2.gz IXIGXXCPJUSKON-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cc1 ZINC001077676770 1254858585 /nfs/dbraw/zinc/85/85/85/1254858585.db2.gz IXIGXXCPJUSKON-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1 ZINC001077676770 1254858595 /nfs/dbraw/zinc/85/85/95/1254858595.db2.gz IXIGXXCPJUSKON-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1 ZINC001077676770 1254858608 /nfs/dbraw/zinc/85/86/08/1254858608.db2.gz IXIGXXCPJUSKON-ATZDWAIDSA-N 2 2 361.486 0.979 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907101 1255086854 /nfs/dbraw/zinc/08/68/54/1255086854.db2.gz WKFODWICQHEHSS-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001077907101 1255086862 /nfs/dbraw/zinc/08/68/62/1255086862.db2.gz WKFODWICQHEHSS-QZTJIDSGSA-N 2 2 364.409 0.637 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992074 1255151984 /nfs/dbraw/zinc/15/19/84/1255151984.db2.gz GZRTVLSBZCMQNY-KBAYOESNSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992074 1255151988 /nfs/dbraw/zinc/15/19/88/1255151988.db2.gz GZRTVLSBZCMQNY-KBAYOESNSA-N 2 2 371.441 0.611 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078008501 1255163182 /nfs/dbraw/zinc/16/31/82/1255163182.db2.gz ICRYXPBHCLVVJM-IAOVAPTHSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078008501 1255163186 /nfs/dbraw/zinc/16/31/86/1255163186.db2.gz ICRYXPBHCLVVJM-IAOVAPTHSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078008501 1255163192 /nfs/dbraw/zinc/16/31/92/1255163192.db2.gz ICRYXPBHCLVVJM-IAOVAPTHSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078008501 1255163200 /nfs/dbraw/zinc/16/32/00/1255163200.db2.gz ICRYXPBHCLVVJM-IAOVAPTHSA-N 2 2 365.449 0.837 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007699 1255164356 /nfs/dbraw/zinc/16/43/56/1255164356.db2.gz XINIIWOBVYKLIB-CGTJXYLNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078007699 1255164360 /nfs/dbraw/zinc/16/43/60/1255164360.db2.gz XINIIWOBVYKLIB-CGTJXYLNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001078007699 1255164365 /nfs/dbraw/zinc/16/43/65/1255164365.db2.gz XINIIWOBVYKLIB-CGTJXYLNSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078007699 1255164367 /nfs/dbraw/zinc/16/43/67/1255164367.db2.gz XINIIWOBVYKLIB-CGTJXYLNSA-N 2 2 363.506 0.776 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078008758 1255166287 /nfs/dbraw/zinc/16/62/87/1255166287.db2.gz WAUVNQWTQHIDTI-SJLPKXTDSA-N 2 2 357.458 0.390 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078008758 1255166291 /nfs/dbraw/zinc/16/62/91/1255166291.db2.gz WAUVNQWTQHIDTI-SJLPKXTDSA-N 2 2 357.458 0.390 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)c1ccccc1 ZINC001078081227 1255213151 /nfs/dbraw/zinc/21/31/51/1255213151.db2.gz SLCXQSFSOYAQFN-KZNAEPCWSA-N 2 2 358.442 0.810 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)c1ccccc1 ZINC001078081227 1255213156 /nfs/dbraw/zinc/21/31/56/1255213156.db2.gz SLCXQSFSOYAQFN-KZNAEPCWSA-N 2 2 358.442 0.810 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001078183297 1255298510 /nfs/dbraw/zinc/29/85/10/1255298510.db2.gz KUSMJMHLTJXJJF-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001078183297 1255298512 /nfs/dbraw/zinc/29/85/12/1255298512.db2.gz KUSMJMHLTJXJJF-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3CC)C2)cn1 ZINC001078228612 1255343389 /nfs/dbraw/zinc/34/33/89/1255343389.db2.gz XPZHZOGKJMMHSH-FGTMMUONSA-N 2 2 363.506 0.481 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3CC)C2)cn1 ZINC001078228612 1255343400 /nfs/dbraw/zinc/34/34/00/1255343400.db2.gz XPZHZOGKJMMHSH-FGTMMUONSA-N 2 2 363.506 0.481 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC001078228612 1255343410 /nfs/dbraw/zinc/34/34/10/1255343410.db2.gz XPZHZOGKJMMHSH-FGTMMUONSA-N 2 2 363.506 0.481 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)cn1 ZINC001078228612 1255343420 /nfs/dbraw/zinc/34/34/20/1255343420.db2.gz XPZHZOGKJMMHSH-FGTMMUONSA-N 2 2 363.506 0.481 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001078530438 1255427289 /nfs/dbraw/zinc/42/72/89/1255427289.db2.gz RMHVWJZKOHRCML-NWANDNLSSA-N 2 2 358.446 0.740 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001079982343 1255690737 /nfs/dbraw/zinc/69/07/37/1255690737.db2.gz QSJNKHFHYRQGQZ-RPVQJOFSSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001079982343 1255690744 /nfs/dbraw/zinc/69/07/44/1255690744.db2.gz QSJNKHFHYRQGQZ-RPVQJOFSSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001079990350 1255694719 /nfs/dbraw/zinc/69/47/19/1255694719.db2.gz DHGUEVBFSSAEQK-KBRIMQKVSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001079990350 1255694726 /nfs/dbraw/zinc/69/47/26/1255694726.db2.gz DHGUEVBFSSAEQK-KBRIMQKVSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991243 1255696576 /nfs/dbraw/zinc/69/65/76/1255696576.db2.gz BAQHGUZBAAIXFY-QGPMSJSTSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991243 1255696581 /nfs/dbraw/zinc/69/65/81/1255696581.db2.gz BAQHGUZBAAIXFY-QGPMSJSTSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079990874 1255696633 /nfs/dbraw/zinc/69/66/33/1255696633.db2.gz NZNUCRLKEOTEGR-HYVNUMGLSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079990874 1255696641 /nfs/dbraw/zinc/69/66/41/1255696641.db2.gz NZNUCRLKEOTEGR-HYVNUMGLSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991858 1255697717 /nfs/dbraw/zinc/69/77/17/1255697717.db2.gz UHWWIGNRVXHQSK-UWWQBHOKSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079991858 1255697720 /nfs/dbraw/zinc/69/77/20/1255697720.db2.gz UHWWIGNRVXHQSK-UWWQBHOKSA-N 2 2 369.469 0.781 20 0 FCADLP CCN(C(=O)CCc1c[nH+]cn1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001080246489 1255799546 /nfs/dbraw/zinc/79/95/46/1255799546.db2.gz KIDGGLWJZBIVBZ-RHSMWYFYSA-N 2 2 361.490 0.752 20 0 FCADLP CCN(C(=O)CCc1c[nH+]cn1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001080246489 1255799550 /nfs/dbraw/zinc/79/95/50/1255799550.db2.gz KIDGGLWJZBIVBZ-RHSMWYFYSA-N 2 2 361.490 0.752 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)on1 ZINC001080325250 1255842785 /nfs/dbraw/zinc/84/27/85/1255842785.db2.gz XSHDGNIBISWLLY-BMFZPTHFSA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)on1 ZINC001080325250 1255842797 /nfs/dbraw/zinc/84/27/97/1255842797.db2.gz XSHDGNIBISWLLY-BMFZPTHFSA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)on1 ZINC001080325250 1255842811 /nfs/dbraw/zinc/84/28/11/1255842811.db2.gz XSHDGNIBISWLLY-BMFZPTHFSA-N 2 2 366.462 0.729 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)on1 ZINC001080325250 1255842825 /nfs/dbraw/zinc/84/28/25/1255842825.db2.gz XSHDGNIBISWLLY-BMFZPTHFSA-N 2 2 366.462 0.729 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325220 1255842977 /nfs/dbraw/zinc/84/29/77/1255842977.db2.gz WOKNAQCCYQCGDF-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325220 1255842984 /nfs/dbraw/zinc/84/29/84/1255842984.db2.gz WOKNAQCCYQCGDF-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325220 1255842992 /nfs/dbraw/zinc/84/29/92/1255842992.db2.gz WOKNAQCCYQCGDF-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325220 1255843001 /nfs/dbraw/zinc/84/30/01/1255843001.db2.gz WOKNAQCCYQCGDF-OLMNPRSZSA-N 2 2 363.506 0.774 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080441726 1255891519 /nfs/dbraw/zinc/89/15/19/1255891519.db2.gz XENKNWSEFGSZOS-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080441726 1255891527 /nfs/dbraw/zinc/89/15/27/1255891527.db2.gz XENKNWSEFGSZOS-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080441726 1255891543 /nfs/dbraw/zinc/89/15/43/1255891543.db2.gz XENKNWSEFGSZOS-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080441726 1255891553 /nfs/dbraw/zinc/89/15/53/1255891553.db2.gz XENKNWSEFGSZOS-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001080454269 1255896640 /nfs/dbraw/zinc/89/66/40/1255896640.db2.gz CZBRXDSPXLAXPF-CZUORRHYSA-N 2 2 363.462 0.409 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001080454269 1255896655 /nfs/dbraw/zinc/89/66/55/1255896655.db2.gz CZBRXDSPXLAXPF-CZUORRHYSA-N 2 2 363.462 0.409 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454295 1255897013 /nfs/dbraw/zinc/89/70/13/1255897013.db2.gz DZALNRSOGWSPOI-XJKCOSOUSA-N 2 2 363.462 0.455 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454295 1255897027 /nfs/dbraw/zinc/89/70/27/1255897027.db2.gz DZALNRSOGWSPOI-XJKCOSOUSA-N 2 2 363.462 0.455 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783159 1256036313 /nfs/dbraw/zinc/03/63/13/1256036313.db2.gz MQIRLYFHGGLGFS-CKEIUWERSA-N 2 2 361.490 0.846 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783159 1256036320 /nfs/dbraw/zinc/03/63/20/1256036320.db2.gz MQIRLYFHGGLGFS-CKEIUWERSA-N 2 2 361.490 0.846 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997597 1256132116 /nfs/dbraw/zinc/13/21/16/1256132116.db2.gz GKHXNAXUUVDKFH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997597 1256132128 /nfs/dbraw/zinc/13/21/28/1256132128.db2.gz GKHXNAXUUVDKFH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997597 1256132133 /nfs/dbraw/zinc/13/21/33/1256132133.db2.gz GKHXNAXUUVDKFH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001080997597 1256132136 /nfs/dbraw/zinc/13/21/36/1256132136.db2.gz GKHXNAXUUVDKFH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1)C(N)=O ZINC001081111365 1256181098 /nfs/dbraw/zinc/18/10/98/1256181098.db2.gz SOEOTTUPYVUKST-CWRNSKLLSA-N 2 2 355.442 0.800 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1)N1CCC1 ZINC001081233937 1256213709 /nfs/dbraw/zinc/21/37/09/1256213709.db2.gz QAJZSHMOWZLCIV-ZWKOTPCHSA-N 2 2 367.453 0.700 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001081233652 1256214181 /nfs/dbraw/zinc/21/41/81/1256214181.db2.gz JFJRDGPEIRPCBG-ZWKOTPCHSA-N 2 2 365.441 0.759 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880067 1256427509 /nfs/dbraw/zinc/42/75/09/1256427509.db2.gz IRZWGXIAQHHCBP-DAXOMENPSA-N 2 2 359.430 0.206 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880067 1256427513 /nfs/dbraw/zinc/42/75/13/1256427513.db2.gz IRZWGXIAQHHCBP-DAXOMENPSA-N 2 2 359.430 0.206 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](OC)C2)C1=O ZINC001081893213 1256437533 /nfs/dbraw/zinc/43/75/33/1256437533.db2.gz GSANXVOYKMIEEH-BZUAXINKSA-N 2 2 364.490 0.051 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](OC)C2)C1=O ZINC001081893213 1256437536 /nfs/dbraw/zinc/43/75/36/1256437536.db2.gz GSANXVOYKMIEEH-BZUAXINKSA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057767 1256513819 /nfs/dbraw/zinc/51/38/19/1256513819.db2.gz CKKFFFKTKBVCRH-KURKYZTESA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001082057767 1256513825 /nfs/dbraw/zinc/51/38/25/1256513825.db2.gz CKKFFFKTKBVCRH-KURKYZTESA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001082057767 1256513830 /nfs/dbraw/zinc/51/38/30/1256513830.db2.gz CKKFFFKTKBVCRH-KURKYZTESA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001082057767 1256513833 /nfs/dbraw/zinc/51/38/33/1256513833.db2.gz CKKFFFKTKBVCRH-KURKYZTESA-N 2 2 369.506 0.480 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066385 1256518871 /nfs/dbraw/zinc/51/88/71/1256518871.db2.gz OHVXJEULSNCMRD-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066385 1256518882 /nfs/dbraw/zinc/51/88/82/1256518882.db2.gz OHVXJEULSNCMRD-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066385 1256518889 /nfs/dbraw/zinc/51/88/89/1256518889.db2.gz OHVXJEULSNCMRD-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066385 1256518894 /nfs/dbraw/zinc/51/88/94/1256518894.db2.gz OHVXJEULSNCMRD-MWDXBVQZSA-N 2 2 366.506 0.155 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082138241 1256554989 /nfs/dbraw/zinc/55/49/89/1256554989.db2.gz VFWUICULLLZKJA-KBRIMQKVSA-N 2 2 366.462 0.734 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082138241 1256554994 /nfs/dbraw/zinc/55/49/94/1256554994.db2.gz VFWUICULLLZKJA-KBRIMQKVSA-N 2 2 366.462 0.734 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](OC)C2)C1=O ZINC001082201117 1256588240 /nfs/dbraw/zinc/58/82/40/1256588240.db2.gz KYCDFCBHGOIVCL-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](OC)C2)C1=O ZINC001082201117 1256588242 /nfs/dbraw/zinc/58/82/42/1256588242.db2.gz KYCDFCBHGOIVCL-BRWVUGGUSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001082385030 1256736768 /nfs/dbraw/zinc/73/67/68/1256736768.db2.gz UWNPJKQUYGEDJZ-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1OC ZINC001082385030 1256736776 /nfs/dbraw/zinc/73/67/76/1256736776.db2.gz UWNPJKQUYGEDJZ-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1OC ZINC001082385030 1256736783 /nfs/dbraw/zinc/73/67/83/1256736783.db2.gz UWNPJKQUYGEDJZ-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1OC ZINC001082385030 1256736789 /nfs/dbraw/zinc/73/67/89/1256736789.db2.gz UWNPJKQUYGEDJZ-FGTMMUONSA-N 2 2 363.506 0.652 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082492986 1256785603 /nfs/dbraw/zinc/78/56/03/1256785603.db2.gz RPEYHNHOEMOVTI-CZUORRHYSA-N 2 2 357.462 0.981 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082525146 1256806595 /nfs/dbraw/zinc/80/65/95/1256806595.db2.gz AICHOMICWWAXMX-VNQPRFMTSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C)c1nnnn1C ZINC001082594805 1256908365 /nfs/dbraw/zinc/90/83/65/1256908365.db2.gz LQEBJFPNSGJUBE-UEKVPHQBSA-N 2 2 354.418 0.898 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082603683 1256915308 /nfs/dbraw/zinc/91/53/08/1256915308.db2.gz MNGXNADJDHBEEZ-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082604338 1256916203 /nfs/dbraw/zinc/91/62/03/1256916203.db2.gz LWZXEZYMEBAIIE-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082637237 1256944345 /nfs/dbraw/zinc/94/43/45/1256944345.db2.gz UFZANUNHESCNFO-CZUORRHYSA-N 2 2 366.429 0.646 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)C1 ZINC001082646583 1256952601 /nfs/dbraw/zinc/95/26/01/1256952601.db2.gz GQXMKUFOAHYCKC-UXIGCNINSA-N 2 2 358.450 0.711 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082648006 1256953861 /nfs/dbraw/zinc/95/38/61/1256953861.db2.gz UCNICIYDTSKCNY-CZUORRHYSA-N 2 2 357.462 0.527 20 0 FCADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702740 1256995475 /nfs/dbraw/zinc/99/54/75/1256995475.db2.gz FXFLQAYKQDZYML-ZACQAIPSSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702740 1256995480 /nfs/dbraw/zinc/99/54/80/1256995480.db2.gz FXFLQAYKQDZYML-ZACQAIPSSA-N 2 2 363.506 0.949 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC001330723325 1266083027 /nfs/dbraw/zinc/08/30/27/1266083027.db2.gz SJRIEKOUEOPJLQ-MRXNPFEDSA-N 2 2 369.506 0.349 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082751325 1257033057 /nfs/dbraw/zinc/03/30/57/1257033057.db2.gz VAGVGWRGHUFLIT-QBPKDAKJSA-N 2 2 373.501 0.973 20 0 FCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1 ZINC001082766550 1257040646 /nfs/dbraw/zinc/04/06/46/1257040646.db2.gz GAIBEMXVZMGUGT-CXAGYDPISA-N 2 2 355.442 0.949 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)n1cc[nH+]c1 ZINC001082771474 1257042251 /nfs/dbraw/zinc/04/22/51/1257042251.db2.gz BRHSEWIHAPJIDN-OWCLPIDISA-N 2 2 363.462 0.130 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119829 1266085616 /nfs/dbraw/zinc/08/56/16/1266085616.db2.gz QSROKOBGSOTXLE-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001521119829 1266085623 /nfs/dbraw/zinc/08/56/23/1266085623.db2.gz QSROKOBGSOTXLE-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001521119829 1266085629 /nfs/dbraw/zinc/08/56/29/1266085629.db2.gz QSROKOBGSOTXLE-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001521119829 1266085632 /nfs/dbraw/zinc/08/56/32/1266085632.db2.gz QSROKOBGSOTXLE-JKSUJKDBSA-N 2 2 352.479 0.561 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)n1 ZINC001082822176 1257081849 /nfs/dbraw/zinc/08/18/49/1257081849.db2.gz OYLNEUWBDBQOMK-HUUCEWRRSA-N 2 2 365.478 0.884 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001082861263 1257112657 /nfs/dbraw/zinc/11/26/57/1257112657.db2.gz SDZNHOZQLXJCET-VNQPRFMTSA-N 2 2 361.490 0.799 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001082863168 1257113971 /nfs/dbraw/zinc/11/39/71/1257113971.db2.gz PPSALOHOCAHZKY-ZIAGYGMSSA-N 2 2 363.462 0.291 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001082934390 1257154329 /nfs/dbraw/zinc/15/43/29/1257154329.db2.gz KGKXNXBDESZRLP-OLMNPRSZSA-N 2 2 361.490 0.487 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC001082934390 1257154332 /nfs/dbraw/zinc/15/43/32/1257154332.db2.gz KGKXNXBDESZRLP-OLMNPRSZSA-N 2 2 361.490 0.487 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082958061 1257168146 /nfs/dbraw/zinc/16/81/46/1257168146.db2.gz ZXZWEDBXAUEPOL-ZIAGYGMSSA-N 2 2 360.466 0.304 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083809 1257284610 /nfs/dbraw/zinc/28/46/10/1257284610.db2.gz NDHUECSFTBIBDZ-OKZBNKHCSA-N 2 2 359.474 0.174 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001083083871 1257284742 /nfs/dbraw/zinc/28/47/42/1257284742.db2.gz POERKWKFAXCPEX-CEXWTWQISA-N 2 2 356.470 0.835 20 0 FCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001083083871 1257284747 /nfs/dbraw/zinc/28/47/47/1257284747.db2.gz POERKWKFAXCPEX-CEXWTWQISA-N 2 2 356.470 0.835 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4ccc5c[nH+]cn5c4)[C@H]3C2)cn1 ZINC001083144646 1257399601 /nfs/dbraw/zinc/39/96/01/1257399601.db2.gz RDKLOVXOIAINRZ-ZWKOTPCHSA-N 2 2 366.425 0.793 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)c4ccc5c[nH+]cn5c4)[C@H]3C2)cn1 ZINC001083144646 1257399607 /nfs/dbraw/zinc/39/96/07/1257399607.db2.gz RDKLOVXOIAINRZ-ZWKOTPCHSA-N 2 2 366.425 0.793 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083645379 1257463782 /nfs/dbraw/zinc/46/37/82/1257463782.db2.gz YKCAQGXRDPNPTA-CVEARBPZSA-N 2 2 356.386 0.089 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083645379 1257463788 /nfs/dbraw/zinc/46/37/88/1257463788.db2.gz YKCAQGXRDPNPTA-CVEARBPZSA-N 2 2 356.386 0.089 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083749390 1257488108 /nfs/dbraw/zinc/48/81/08/1257488108.db2.gz WIURHGAOLZAOSE-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)n1 ZINC001083749390 1257488111 /nfs/dbraw/zinc/48/81/11/1257488111.db2.gz WIURHGAOLZAOSE-SJORKVTESA-N 2 2 362.474 0.483 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779800 1257521962 /nfs/dbraw/zinc/52/19/62/1257521962.db2.gz VAHZESDQNZHJNH-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779800 1257521969 /nfs/dbraw/zinc/52/19/69/1257521969.db2.gz VAHZESDQNZHJNH-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779800 1257521975 /nfs/dbraw/zinc/52/19/75/1257521975.db2.gz VAHZESDQNZHJNH-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083779800 1257521978 /nfs/dbraw/zinc/52/19/78/1257521978.db2.gz VAHZESDQNZHJNH-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781404 1257526285 /nfs/dbraw/zinc/52/62/85/1257526285.db2.gz GFYPYPBLAWNVDI-OIISXLGYSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781404 1257526287 /nfs/dbraw/zinc/52/62/87/1257526287.db2.gz GFYPYPBLAWNVDI-OIISXLGYSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781404 1257526290 /nfs/dbraw/zinc/52/62/90/1257526290.db2.gz GFYPYPBLAWNVDI-OIISXLGYSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781404 1257526292 /nfs/dbraw/zinc/52/62/92/1257526292.db2.gz GFYPYPBLAWNVDI-OIISXLGYSA-N 2 2 365.449 0.708 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H](O)C2)ncn1 ZINC001083863642 1257625849 /nfs/dbraw/zinc/62/58/49/1257625849.db2.gz BZNZHTNTTPJKNI-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H](O)C2)ncn1 ZINC001083863642 1257625856 /nfs/dbraw/zinc/62/58/56/1257625856.db2.gz BZNZHTNTTPJKNI-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC1 ZINC001083887974 1257660227 /nfs/dbraw/zinc/66/02/27/1257660227.db2.gz UNJUCTNZHBDVEL-QRVBRYPASA-N 2 2 361.486 0.613 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC1 ZINC001083887974 1257660230 /nfs/dbraw/zinc/66/02/30/1257660230.db2.gz UNJUCTNZHBDVEL-QRVBRYPASA-N 2 2 361.486 0.613 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001083913390 1257692753 /nfs/dbraw/zinc/69/27/53/1257692753.db2.gz URABJKJZZROEKN-QGTPRVQTSA-N 2 2 356.426 0.684 20 0 FCADLP 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Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107620858 1259136144 /nfs/dbraw/zinc/13/61/44/1259136144.db2.gz BEQQMQRFFVWTJG-VQIMIIECSA-N 2 2 359.474 0.900 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107620858 1259136145 /nfs/dbraw/zinc/13/61/45/1259136145.db2.gz BEQQMQRFFVWTJG-VQIMIIECSA-N 2 2 359.474 0.900 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001127548199 1259179230 /nfs/dbraw/zinc/17/92/30/1259179230.db2.gz YUYYWLSXIXUDMD-NVXWUHKLSA-N 2 2 356.474 0.836 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)CC[N@@H+]1C ZINC001127701450 1259184975 /nfs/dbraw/zinc/18/49/75/1259184975.db2.gz OVQSGMKTYCWUJJ-QLFBSQMISA-N 2 2 365.478 0.900 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)CC[N@H+]1C ZINC001127701450 1259184980 /nfs/dbraw/zinc/18/49/80/1259184980.db2.gz OVQSGMKTYCWUJJ-QLFBSQMISA-N 2 2 365.478 0.900 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961582 1259275093 /nfs/dbraw/zinc/27/50/93/1259275093.db2.gz FPNILDVQQHALKB-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001128961582 1259275098 /nfs/dbraw/zinc/27/50/98/1259275098.db2.gz FPNILDVQQHALKB-CABCVRRESA-N 2 2 361.450 0.402 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064694 1259302481 /nfs/dbraw/zinc/30/24/81/1259302481.db2.gz LSSQMRQSNGJTGN-IKGGRYGDSA-N 2 2 364.494 0.529 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129064694 1259302487 /nfs/dbraw/zinc/30/24/87/1259302487.db2.gz LSSQMRQSNGJTGN-IKGGRYGDSA-N 2 2 364.494 0.529 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064694 1259302494 /nfs/dbraw/zinc/30/24/94/1259302494.db2.gz LSSQMRQSNGJTGN-IKGGRYGDSA-N 2 2 364.494 0.529 20 0 FCADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129064694 1259302503 /nfs/dbraw/zinc/30/25/03/1259302503.db2.gz LSSQMRQSNGJTGN-IKGGRYGDSA-N 2 2 364.494 0.529 20 0 FCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122591 1259321573 /nfs/dbraw/zinc/32/15/73/1259321573.db2.gz NSPMYCVAMDKIIF-KFWWJZLASA-N 2 2 363.441 0.734 20 0 FCADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122591 1259321581 /nfs/dbraw/zinc/32/15/81/1259321581.db2.gz NSPMYCVAMDKIIF-KFWWJZLASA-N 2 2 363.441 0.734 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129224080 1259348328 /nfs/dbraw/zinc/34/83/28/1259348328.db2.gz RUDNPHCISSNQFW-CVEARBPZSA-N 2 2 361.450 0.376 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129224080 1259348336 /nfs/dbraw/zinc/34/83/36/1259348336.db2.gz RUDNPHCISSNQFW-CVEARBPZSA-N 2 2 361.450 0.376 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200727673 1259419861 /nfs/dbraw/zinc/41/98/61/1259419861.db2.gz AHRHTEWFXJUPTH-BZUAXINKSA-N 2 2 366.462 0.383 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200727673 1259419867 /nfs/dbraw/zinc/41/98/67/1259419867.db2.gz AHRHTEWFXJUPTH-BZUAXINKSA-N 2 2 366.462 0.383 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303483 1259458644 /nfs/dbraw/zinc/45/86/44/1259458644.db2.gz GCPRRWOYWFYTEZ-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303483 1259458648 /nfs/dbraw/zinc/45/86/48/1259458648.db2.gz GCPRRWOYWFYTEZ-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP COCCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303483 1259458652 /nfs/dbraw/zinc/45/86/52/1259458652.db2.gz GCPRRWOYWFYTEZ-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP COCCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001212303483 1259458658 /nfs/dbraw/zinc/45/86/58/1259458658.db2.gz GCPRRWOYWFYTEZ-BRWVUGGUSA-N 2 2 365.478 0.642 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385934 1259485588 /nfs/dbraw/zinc/48/55/88/1259485588.db2.gz XIAUEMARPRBMMJ-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385934 1259485591 /nfs/dbraw/zinc/48/55/91/1259485591.db2.gz XIAUEMARPRBMMJ-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385934 1259485595 /nfs/dbraw/zinc/48/55/95/1259485595.db2.gz XIAUEMARPRBMMJ-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385934 1259485602 /nfs/dbraw/zinc/48/56/02/1259485602.db2.gz XIAUEMARPRBMMJ-FVQBIDKESA-N 2 2 363.462 0.074 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)n1 ZINC001212403410 1259489591 /nfs/dbraw/zinc/48/95/91/1259489591.db2.gz KAHMAYXIFLCEFV-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](OC)C2)n1 ZINC001212403410 1259489594 /nfs/dbraw/zinc/48/95/94/1259489594.db2.gz KAHMAYXIFLCEFV-HZPDHXFCSA-N 2 2 362.474 0.890 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406402 1259491854 /nfs/dbraw/zinc/49/18/54/1259491854.db2.gz RBJMJFMANPVVPL-IXDOHACOSA-N 2 2 367.494 0.054 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001212406402 1259491858 /nfs/dbraw/zinc/49/18/58/1259491858.db2.gz RBJMJFMANPVVPL-IXDOHACOSA-N 2 2 367.494 0.054 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410246 1259495446 /nfs/dbraw/zinc/49/54/46/1259495446.db2.gz PCKNOVASSDWWOG-BFYDXBDKSA-N 2 2 368.522 0.447 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410246 1259495448 /nfs/dbraw/zinc/49/54/48/1259495448.db2.gz PCKNOVASSDWWOG-BFYDXBDKSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430222 1259501971 /nfs/dbraw/zinc/50/19/71/1259501971.db2.gz FVLVHMIDJAHEKO-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430222 1259501976 /nfs/dbraw/zinc/50/19/76/1259501976.db2.gz FVLVHMIDJAHEKO-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430222 1259501980 /nfs/dbraw/zinc/50/19/80/1259501980.db2.gz FVLVHMIDJAHEKO-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430222 1259501984 /nfs/dbraw/zinc/50/19/84/1259501984.db2.gz FVLVHMIDJAHEKO-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212451038 1259511362 /nfs/dbraw/zinc/51/13/62/1259511362.db2.gz LBYQJNZFFPAFIH-HZPDHXFCSA-N 2 2 368.478 0.405 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212451038 1259511365 /nfs/dbraw/zinc/51/13/65/1259511365.db2.gz LBYQJNZFFPAFIH-HZPDHXFCSA-N 2 2 368.478 0.405 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC)[NH+](C)C ZINC001212461358 1259514170 /nfs/dbraw/zinc/51/41/70/1259514170.db2.gz WHSPGSPLUUYASA-BRWVUGGUSA-N 2 2 370.538 0.787 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC)[NH+](C)C ZINC001212461358 1259514174 /nfs/dbraw/zinc/51/41/74/1259514174.db2.gz WHSPGSPLUUYASA-BRWVUGGUSA-N 2 2 370.538 0.787 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC)[NH+](C)C ZINC001212461373 1259516323 /nfs/dbraw/zinc/51/63/23/1259516323.db2.gz WXULOASTGAIAIS-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC)[NH+](C)C ZINC001212461373 1259516326 /nfs/dbraw/zinc/51/63/26/1259516326.db2.gz WXULOASTGAIAIS-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483314 1259519677 /nfs/dbraw/zinc/51/96/77/1259519677.db2.gz GNYYALNYRIJCCB-ARFHVFGLSA-N 2 2 370.538 0.693 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483314 1259519681 /nfs/dbraw/zinc/51/96/81/1259519681.db2.gz GNYYALNYRIJCCB-ARFHVFGLSA-N 2 2 370.538 0.693 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483314 1259519686 /nfs/dbraw/zinc/51/96/86/1259519686.db2.gz GNYYALNYRIJCCB-ARFHVFGLSA-N 2 2 370.538 0.693 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212483314 1259519693 /nfs/dbraw/zinc/51/96/93/1259519693.db2.gz GNYYALNYRIJCCB-ARFHVFGLSA-N 2 2 370.538 0.693 20 0 FCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc4c(n3)OCCO4)CC2)CC1 ZINC001233877382 1259553918 /nfs/dbraw/zinc/55/39/18/1259553918.db2.gz RGKUIQZTWKIEGY-UHFFFAOYSA-N 2 2 360.458 0.839 20 0 FCADLP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198204 1259569486 /nfs/dbraw/zinc/56/94/86/1259569486.db2.gz CQRGOBNYYZTDTG-OAQYLSRUSA-N 3 2 374.529 0.673 20 0 FCADLP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198204 1259569491 /nfs/dbraw/zinc/56/94/91/1259569491.db2.gz CQRGOBNYYZTDTG-OAQYLSRUSA-N 3 2 374.529 0.673 20 0 FCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206130 1259569819 /nfs/dbraw/zinc/56/98/19/1259569819.db2.gz RSBWRKHQISQVDF-LSDHHAIUSA-N 3 2 371.476 0.951 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@H+](CCCCCO)C2 ZINC001235556011 1259578692 /nfs/dbraw/zinc/57/86/92/1259578692.db2.gz YPFYBJLTMIRCAB-KRWDZBQOSA-N 2 2 366.506 0.831 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)C[N@@H+](CCCCCO)C2 ZINC001235556011 1259578699 /nfs/dbraw/zinc/57/86/99/1259578699.db2.gz YPFYBJLTMIRCAB-KRWDZBQOSA-N 2 2 366.506 0.831 20 0 FCADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)[C@@H](O)[C@@H]2O1 ZINC001236012807 1259586752 /nfs/dbraw/zinc/58/67/52/1259586752.db2.gz QZGZATSODAIWIK-GZKCFLEVSA-N 2 2 360.454 0.697 20 0 FCADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)[C@@H](O)[C@@H]2O1 ZINC001236012807 1259586758 /nfs/dbraw/zinc/58/67/58/1259586758.db2.gz QZGZATSODAIWIK-GZKCFLEVSA-N 2 2 360.454 0.697 20 0 FCADLP CCOC(=O)[C@]12C[N@H+](Cc3ccc(N4CCOCC4)nc3)C[C@H]1C[NH2+]CC2 ZINC001236039585 1259587736 /nfs/dbraw/zinc/58/77/36/1259587736.db2.gz VERONJCFDBMKAV-YLJYHZDGSA-N 2 2 374.485 0.893 20 0 FCADLP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(N4CCOCC4)nc3)C[C@H]1C[NH2+]CC2 ZINC001236039585 1259587744 /nfs/dbraw/zinc/58/77/44/1259587744.db2.gz VERONJCFDBMKAV-YLJYHZDGSA-N 2 2 374.485 0.893 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966351 1259593416 /nfs/dbraw/zinc/59/34/16/1259593416.db2.gz FPPYPIZRPNQNFO-GOSISDBHSA-N 2 2 364.465 0.867 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966351 1259593427 /nfs/dbraw/zinc/59/34/27/1259593427.db2.gz FPPYPIZRPNQNFO-GOSISDBHSA-N 2 2 364.465 0.867 20 0 FCADLP O=C(c1ccccc1-c1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH2+]CC1 ZINC001240547327 1259629595 /nfs/dbraw/zinc/62/95/95/1259629595.db2.gz WOACWSRTVUXZQW-UHFFFAOYSA-N 2 2 369.469 0.928 20 0 FCADLP COC(=O)[C@@H]([NH3+])[C@H]1CCCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C1 ZINC001246052915 1259646575 /nfs/dbraw/zinc/64/65/75/1259646575.db2.gz MKMSRHNVUWFSBC-SJWGOKEGSA-N 2 2 371.428 0.408 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)C[NH2+]1 ZINC001246706791 1259664077 /nfs/dbraw/zinc/66/40/77/1259664077.db2.gz MDODYHQSGKPOBI-VJANTYMQSA-N 2 2 374.485 0.569 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)C[NH2+]1 ZINC001246706791 1259664086 /nfs/dbraw/zinc/66/40/86/1259664086.db2.gz MDODYHQSGKPOBI-VJANTYMQSA-N 2 2 374.485 0.569 20 0 FCADLP O=C(NCc1cn2c(n1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)C1CCC1 ZINC001246704920 1259664171 /nfs/dbraw/zinc/66/41/71/1259664171.db2.gz MUEXVRBMOVWODR-MRXNPFEDSA-N 2 2 358.490 0.209 20 0 FCADLP O=C(NCc1cn2c(n1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)C1CCC1 ZINC001246704920 1259664180 /nfs/dbraw/zinc/66/41/80/1259664180.db2.gz MUEXVRBMOVWODR-MRXNPFEDSA-N 2 2 358.490 0.209 20 0 FCADLP O=C(c1cn([C@H]2CC[NH2+]C3(CNC3)C2)c2ccccc12)N1CC[NH2+]CC1 ZINC001246800366 1259689806 /nfs/dbraw/zinc/68/98/06/1259689806.db2.gz DHUKRXOXSOANMR-HNNXBMFYSA-N 2 2 353.470 0.953 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2cc(C(F)(F)F)ncn2)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246976801 1259698181 /nfs/dbraw/zinc/69/81/81/1259698181.db2.gz YCMAORSDTWRPJW-RYUDHWBXSA-N 2 2 373.379 0.957 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2cccc3ccnn32)no1 ZINC001247335620 1259702181 /nfs/dbraw/zinc/70/21/81/1259702181.db2.gz RORLVRFBYKEOKT-LBPRGKRZSA-N 2 2 352.358 0.294 20 0 FCADLP COc1ccc(OC[C@H](O)C[NH2+]CCC(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC001252737996 1259805946 /nfs/dbraw/zinc/80/59/46/1259805946.db2.gz OFBQUGBYSAZSHP-OAHLLOKOSA-N 2 2 362.430 0.497 20 0 FCADLP COc1ccc(OC[C@H](O)C[NH2+]CCC(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC001252737996 1259805952 /nfs/dbraw/zinc/80/59/52/1259805952.db2.gz OFBQUGBYSAZSHP-OAHLLOKOSA-N 2 2 362.430 0.497 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948932 1259814215 /nfs/dbraw/zinc/81/42/15/1259814215.db2.gz BMMUSLRARFAKDR-QUCCMNQESA-N 2 2 372.469 0.731 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948932 1259814221 /nfs/dbraw/zinc/81/42/21/1259814221.db2.gz BMMUSLRARFAKDR-QUCCMNQESA-N 2 2 372.469 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](O)CN1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001253186409 1259829536 /nfs/dbraw/zinc/82/95/36/1259829536.db2.gz YEWFPJCICQEAGE-QGZVFWFLSA-N 2 2 374.489 0.397 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@@H](C)O1 ZINC001331834699 1266292828 /nfs/dbraw/zinc/29/28/28/1266292828.db2.gz NNZMERIOSNRFSD-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001256340584 1259947053 /nfs/dbraw/zinc/94/70/53/1259947053.db2.gz SEUSXWCYSAWXEA-OAHLLOKOSA-N 2 2 373.461 0.366 20 0 FCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001256340584 1259947057 /nfs/dbraw/zinc/94/70/57/1259947057.db2.gz SEUSXWCYSAWXEA-OAHLLOKOSA-N 2 2 373.461 0.366 20 0 FCADLP c1cc(C[NH+]2CCC(N3CC[NH+](CCN4CCOCC4)CC3)CC2)ccn1 ZINC001256591243 1259955717 /nfs/dbraw/zinc/95/57/17/1259955717.db2.gz RJBWIBVMPIBGED-UHFFFAOYSA-N 2 2 373.545 0.996 20 0 FCADLP COCCOc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC001336054340 1259958987 /nfs/dbraw/zinc/95/89/87/1259958987.db2.gz GFPMZSRMEJRABN-MRXNPFEDSA-N 2 2 353.463 0.801 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001522012410 1266299479 /nfs/dbraw/zinc/29/94/79/1266299479.db2.gz ZBIBTZUFLMMHCR-WMZOPIPTSA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001522012410 1266299484 /nfs/dbraw/zinc/29/94/84/1266299484.db2.gz ZBIBTZUFLMMHCR-WMZOPIPTSA-N 3 2 367.538 0.103 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC3CCSCC3)CC2)CC1 ZINC001257570284 1260021473 /nfs/dbraw/zinc/02/14/73/1260021473.db2.gz ZLQYGAUMVSVNJK-UHFFFAOYSA-N 2 2 368.547 0.673 20 0 FCADLP O=C(CC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Nc1ccccc1 ZINC001336771375 1260218517 /nfs/dbraw/zinc/21/85/17/1260218517.db2.gz SCSKUBCGASXHMB-KRWDZBQOSA-N 2 2 360.458 0.538 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046302 1260250910 /nfs/dbraw/zinc/25/09/10/1260250910.db2.gz NHJQXIPETSROPE-IEBWSBKVSA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046302 1260250911 /nfs/dbraw/zinc/25/09/11/1260250911.db2.gz NHJQXIPETSROPE-IEBWSBKVSA-N 2 2 360.502 0.908 20 0 FCADLP CCOC(=O)c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH]n1 ZINC001262113611 1260260766 /nfs/dbraw/zinc/26/07/66/1260260766.db2.gz UJTZVBSJKKLVTA-HNNXBMFYSA-N 2 2 365.478 0.473 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001264005295 1260362885 /nfs/dbraw/zinc/36/28/85/1260362885.db2.gz QZMWRNSCCIVYLO-WBVHZDCISA-N 2 2 361.490 0.802 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(C(=O)CCn2cc[nH+]c2)C3)CC1 ZINC001272991704 1260554999 /nfs/dbraw/zinc/55/49/99/1260554999.db2.gz BKZDMXMIXAXIRD-MRXNPFEDSA-N 2 2 359.474 0.674 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001272993410 1260555950 /nfs/dbraw/zinc/55/59/50/1260555950.db2.gz RBFPUYFMXAJJDO-MRXNPFEDSA-N 2 2 361.490 0.922 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)CCn2cc[nH+]c2)CC1 ZINC001272994285 1260556444 /nfs/dbraw/zinc/55/64/44/1260556444.db2.gz WPUQKGNRJYUKGI-BEFAXECRSA-N 2 2 359.474 0.817 20 0 FCADLP COCCOC[N@@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217171 1260626475 /nfs/dbraw/zinc/62/64/75/1260626475.db2.gz LAGLJXQKFGEESR-QGZVFWFLSA-N 2 2 369.506 0.642 20 0 FCADLP COCCOC[N@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273217171 1260626485 /nfs/dbraw/zinc/62/64/85/1260626485.db2.gz LAGLJXQKFGEESR-QGZVFWFLSA-N 2 2 369.506 0.642 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001273217171 1260626491 /nfs/dbraw/zinc/62/64/91/1260626491.db2.gz LAGLJXQKFGEESR-QGZVFWFLSA-N 2 2 369.506 0.642 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001273217171 1260626502 /nfs/dbraw/zinc/62/65/02/1260626502.db2.gz LAGLJXQKFGEESR-QGZVFWFLSA-N 2 2 369.506 0.642 20 0 FCADLP COC(=O)CCn1nc(C)c(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c1C ZINC001278712769 1260720169 /nfs/dbraw/zinc/72/01/69/1260720169.db2.gz LHCSXKHUIUWLLE-UHFFFAOYSA-N 2 2 363.506 0.885 20 0 FCADLP COC(=O)c1cnc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)cn1 ZINC001278827324 1260739211 /nfs/dbraw/zinc/73/92/11/1260739211.db2.gz KUOBFDLQJNTSIC-UHFFFAOYSA-N 2 2 361.446 0.249 20 0 FCADLP Cc1ncc(C[N@@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)n1C ZINC001279399478 1260861024 /nfs/dbraw/zinc/86/10/24/1260861024.db2.gz DXTOMKPMUSOQRS-IBGZPJMESA-N 2 2 362.522 0.447 20 0 FCADLP Cc1ncc(C[N@H+]2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)n1C ZINC001279399478 1260861031 /nfs/dbraw/zinc/86/10/31/1260861031.db2.gz DXTOMKPMUSOQRS-IBGZPJMESA-N 2 2 362.522 0.447 20 0 FCADLP Cc1[nH+]cc(CN2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)n1C ZINC001279399478 1260861035 /nfs/dbraw/zinc/86/10/35/1260861035.db2.gz DXTOMKPMUSOQRS-IBGZPJMESA-N 2 2 362.522 0.447 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cncc(O)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001279459419 1260872842 /nfs/dbraw/zinc/87/28/42/1260872842.db2.gz AABTWSJMNZBQRZ-IBGZPJMESA-N 2 2 361.490 0.505 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cncc(O)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001279459419 1260872846 /nfs/dbraw/zinc/87/28/46/1260872846.db2.gz AABTWSJMNZBQRZ-IBGZPJMESA-N 2 2 361.490 0.505 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001279473482 1260876718 /nfs/dbraw/zinc/87/67/18/1260876718.db2.gz CPFZEEYUGUXCOI-MANSERQUSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001279473482 1260876723 /nfs/dbraw/zinc/87/67/23/1260876723.db2.gz CPFZEEYUGUXCOI-MANSERQUSA-N 2 2 363.502 0.951 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501459 1260880661 /nfs/dbraw/zinc/88/06/61/1260880661.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501459 1260880664 /nfs/dbraw/zinc/88/06/64/1260880664.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501459 1260880665 /nfs/dbraw/zinc/88/06/65/1260880665.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279501459 1260880666 /nfs/dbraw/zinc/88/06/66/1260880666.db2.gz GKSHZLKOEXGGEB-UYAOXDASSA-N 3 2 365.566 0.546 20 0 FCADLP COc1cc(N2CCN(CC[NH+](C)C)C[C@]3(CCCC(=O)N3)C2)cc[nH+]1 ZINC001279789667 1260936194 /nfs/dbraw/zinc/93/61/94/1260936194.db2.gz UTUCPCPQPLMYMV-LJQANCHMSA-N 2 2 361.490 0.813 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3nc4ccccc4[nH]c3=O)C[C@@H]21 ZINC001280034735 1260981860 /nfs/dbraw/zinc/98/18/60/1260981860.db2.gz DRTPJMBTOYCNPA-ROUUACIJSA-N 2 2 357.458 0.370 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]c3=O)C[C@@H]21 ZINC001280034735 1260981867 /nfs/dbraw/zinc/98/18/67/1260981867.db2.gz DRTPJMBTOYCNPA-ROUUACIJSA-N 2 2 357.458 0.370 20 0 FCADLP Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001280047641 1260985719 /nfs/dbraw/zinc/98/57/19/1260985719.db2.gz OTMCJEVWIHERML-BBRMVZONSA-N 2 2 351.414 0.809 20 0 FCADLP Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001280047641 1260985721 /nfs/dbraw/zinc/98/57/21/1260985721.db2.gz OTMCJEVWIHERML-BBRMVZONSA-N 2 2 351.414 0.809 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280073295 1260990939 /nfs/dbraw/zinc/99/09/39/1260990939.db2.gz AKGHDNALLHPJNG-HXUWFJFHSA-N 3 2 365.566 0.500 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC001280073295 1260990943 /nfs/dbraw/zinc/99/09/43/1260990943.db2.gz AKGHDNALLHPJNG-HXUWFJFHSA-N 3 2 365.566 0.500 20 0 FCADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)N3c2nccc(NC3CC3)n2)c[nH+]1 ZINC001280117475 1261007233 /nfs/dbraw/zinc/00/72/33/1261007233.db2.gz PINQFIXIJBOQFB-IYBDPMFKSA-N 2 2 355.446 0.837 20 0 FCADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@H](C2)N3c2nccc(NC3CC3)n2)c[nH+]1 ZINC001280117475 1261007235 /nfs/dbraw/zinc/00/72/35/1261007235.db2.gz PINQFIXIJBOQFB-IYBDPMFKSA-N 2 2 355.446 0.837 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2Cc3ccnn3CC[C@H]2C(=O)NCC2COC2)CC1 ZINC001280126198 1261011140 /nfs/dbraw/zinc/01/11/40/1261011140.db2.gz SFQXTHAJRPKTRL-SFHVURJKSA-N 2 2 361.490 0.562 20 0 FCADLP C[NH+]1CCC(C[N@H+]2Cc3ccnn3CC[C@H]2C(=O)NCC2COC2)CC1 ZINC001280126198 1261011146 /nfs/dbraw/zinc/01/11/46/1261011146.db2.gz SFQXTHAJRPKTRL-SFHVURJKSA-N 2 2 361.490 0.562 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280168591 1261019036 /nfs/dbraw/zinc/01/90/36/1261019036.db2.gz LSQHQRDRUSDNAP-IRXDYDNUSA-N 2 2 362.474 0.648 20 0 FCADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001280168591 1261019044 /nfs/dbraw/zinc/01/90/44/1261019044.db2.gz LSQHQRDRUSDNAP-IRXDYDNUSA-N 2 2 362.474 0.648 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001282073697 1261335512 /nfs/dbraw/zinc/33/55/12/1261335512.db2.gz YKXATEMNJRLFJK-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282073697 1261335513 /nfs/dbraw/zinc/33/55/13/1261335513.db2.gz YKXATEMNJRLFJK-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001282073697 1261335520 /nfs/dbraw/zinc/33/55/20/1261335520.db2.gz YKXATEMNJRLFJK-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282073697 1261335524 /nfs/dbraw/zinc/33/55/24/1261335524.db2.gz YKXATEMNJRLFJK-LVNYTYFRSA-N 2 2 361.490 0.940 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284627751 1261772489 /nfs/dbraw/zinc/77/24/89/1261772489.db2.gz DMVNMZFRNHUIPN-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284627751 1261772495 /nfs/dbraw/zinc/77/24/95/1261772495.db2.gz DMVNMZFRNHUIPN-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001289915007 1262370466 /nfs/dbraw/zinc/37/04/66/1262370466.db2.gz XHIQDBOPGCTHSI-IAGOWNOFSA-N 2 2 361.490 0.991 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001289915007 1262370469 /nfs/dbraw/zinc/37/04/69/1262370469.db2.gz XHIQDBOPGCTHSI-IAGOWNOFSA-N 2 2 361.490 0.991 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001290043761 1262374723 /nfs/dbraw/zinc/37/47/23/1262374723.db2.gz ZKLVCSBPYXRMOP-LVQVYYBASA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001290043761 1262374731 /nfs/dbraw/zinc/37/47/31/1262374731.db2.gz ZKLVCSBPYXRMOP-LVQVYYBASA-N 2 2 361.490 0.704 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCc3c[nH+]c4n3CCCC4)C2)nn1 ZINC001580349003 1278148903 /nfs/dbraw/zinc/14/89/03/1278148903.db2.gz FJCBZSZSXIPHTG-CQSZACIVSA-N 2 2 358.450 0.816 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001294800476 1262744534 /nfs/dbraw/zinc/74/45/34/1262744534.db2.gz LGZROOVKMGWDNF-RBSFLKMASA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001580354400 1278155325 /nfs/dbraw/zinc/15/53/25/1278155325.db2.gz VCOBLMMOFPIHKZ-UXIGCNINSA-N 2 2 356.434 0.297 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001580354400 1278155341 /nfs/dbraw/zinc/15/53/41/1278155341.db2.gz VCOBLMMOFPIHKZ-UXIGCNINSA-N 2 2 356.434 0.297 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001580354948 1278159016 /nfs/dbraw/zinc/15/90/16/1278159016.db2.gz PLVQFBUCBKCGGV-IUODEOHRSA-N 2 2 370.461 0.687 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001580354948 1278159028 /nfs/dbraw/zinc/15/90/28/1278159028.db2.gz PLVQFBUCBKCGGV-IUODEOHRSA-N 2 2 370.461 0.687 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001296582029 1262820872 /nfs/dbraw/zinc/82/08/72/1262820872.db2.gz BFFPSIQUZMJBJI-HZPDHXFCSA-N 2 2 370.457 0.836 20 0 FCADLP CO[C@H](C)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001296826875 1262838751 /nfs/dbraw/zinc/83/87/51/1262838751.db2.gz SLPMBVYTFGYUOY-BRWVUGGUSA-N 2 2 368.522 0.354 20 0 FCADLP CO[C@H](C)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001296826875 1262838758 /nfs/dbraw/zinc/83/87/58/1262838758.db2.gz SLPMBVYTFGYUOY-BRWVUGGUSA-N 2 2 368.522 0.354 20 0 FCADLP CC(=O)N[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001477686877 1263099450 /nfs/dbraw/zinc/09/94/50/1263099450.db2.gz ABCRKMBKMFPOTC-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479426134 1263194361 /nfs/dbraw/zinc/19/43/61/1263194361.db2.gz YNJBTIQMKLTVAR-YQVWRLOYSA-N 2 2 360.502 0.903 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479426134 1263194365 /nfs/dbraw/zinc/19/43/65/1263194365.db2.gz YNJBTIQMKLTVAR-YQVWRLOYSA-N 2 2 360.502 0.903 20 0 FCADLP Cn1ncc(CCCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC001311778679 1263264260 /nfs/dbraw/zinc/26/42/60/1263264260.db2.gz YEVIHMSVMAQSCM-UHFFFAOYSA-N 2 2 363.510 0.606 20 0 FCADLP C[C@H](c1ncccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479930324 1263417330 /nfs/dbraw/zinc/41/73/30/1263417330.db2.gz JBENEQWABSUGPO-BRWVUGGUSA-N 2 2 360.506 0.612 20 0 FCADLP C[C@H](c1ncccn1)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479930324 1263417335 /nfs/dbraw/zinc/41/73/35/1263417335.db2.gz JBENEQWABSUGPO-BRWVUGGUSA-N 2 2 360.506 0.612 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480361568 1263429667 /nfs/dbraw/zinc/42/96/67/1263429667.db2.gz QIGQZOIMBIIPQB-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001316708648 1263432771 /nfs/dbraw/zinc/43/27/71/1263432771.db2.gz HAJUVAIOXVYRLZ-PBHICJAKSA-N 2 2 361.490 0.848 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCN(CC)C1=O ZINC001317544597 1263516422 /nfs/dbraw/zinc/51/64/22/1263516422.db2.gz AJBWKUKENFWHNC-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCN(CC)C1=O ZINC001317544597 1263516427 /nfs/dbraw/zinc/51/64/27/1263516427.db2.gz AJBWKUKENFWHNC-OAGGEKHMSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3ccccn3)CC2)CC[N@@H+]1C ZINC001317818816 1263524079 /nfs/dbraw/zinc/52/40/79/1263524079.db2.gz IXTCWCUMTBHOGI-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC001317818816 1263524083 /nfs/dbraw/zinc/52/40/83/1263524083.db2.gz IXTCWCUMTBHOGI-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1C ZINC001317818816 1263524089 /nfs/dbraw/zinc/52/40/89/1263524089.db2.gz IXTCWCUMTBHOGI-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1C ZINC001317818816 1263524097 /nfs/dbraw/zinc/52/40/97/1263524097.db2.gz IXTCWCUMTBHOGI-IEBWSBKVSA-N 2 2 359.518 0.998 20 0 FCADLP CCN1CCN(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)C(=O)C1=O ZINC001318540642 1263585912 /nfs/dbraw/zinc/58/59/12/1263585912.db2.gz CRDHEOIAAODTFT-UHFFFAOYSA-N 2 2 356.386 0.205 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318772009 1263608677 /nfs/dbraw/zinc/60/86/77/1263608677.db2.gz LXGLTDPRXPIIDX-IAGOWNOFSA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC001318772009 1263608685 /nfs/dbraw/zinc/60/86/85/1263608685.db2.gz LXGLTDPRXPIIDX-IAGOWNOFSA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC001318772009 1263608692 /nfs/dbraw/zinc/60/86/92/1263608692.db2.gz LXGLTDPRXPIIDX-IAGOWNOFSA-N 2 2 359.474 0.360 20 0 FCADLP NC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001318772009 1263608700 /nfs/dbraw/zinc/60/87/00/1263608700.db2.gz LXGLTDPRXPIIDX-IAGOWNOFSA-N 2 2 359.474 0.360 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001318923206 1263626132 /nfs/dbraw/zinc/62/61/32/1263626132.db2.gz CHZIBIOUGPYRQX-CQSZACIVSA-N 3 2 356.430 0.924 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001319945047 1263746376 /nfs/dbraw/zinc/74/63/76/1263746376.db2.gz FJMQJFHKILWOJV-HNNXBMFYSA-N 2 2 365.522 0.665 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001319945047 1263746380 /nfs/dbraw/zinc/74/63/80/1263746380.db2.gz FJMQJFHKILWOJV-HNNXBMFYSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001320376419 1263789723 /nfs/dbraw/zinc/78/97/23/1263789723.db2.gz OUMJOQGIDRDARR-NZSAHSFTSA-N 2 2 364.534 0.724 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001320376419 1263789727 /nfs/dbraw/zinc/78/97/27/1263789727.db2.gz OUMJOQGIDRDARR-NZSAHSFTSA-N 2 2 364.534 0.724 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320913807 1263879965 /nfs/dbraw/zinc/87/99/65/1263879965.db2.gz QBUXXBHDNBAPQK-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC001321410969 1263955777 /nfs/dbraw/zinc/95/57/77/1263955777.db2.gz WKVMKNYOODSPLE-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC001321410969 1263955782 /nfs/dbraw/zinc/95/57/82/1263955782.db2.gz WKVMKNYOODSPLE-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC001321950883 1264107770 /nfs/dbraw/zinc/10/77/70/1264107770.db2.gz ZUJMUMLRZRXMKT-HNNXBMFYSA-N 2 2 373.501 0.934 20 0 FCADLP CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001501202021 1264109753 /nfs/dbraw/zinc/10/97/53/1264109753.db2.gz NIAVIBNCSFWVJI-HZPDHXFCSA-N 2 2 361.490 0.782 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001321960556 1264111307 /nfs/dbraw/zinc/11/13/07/1264111307.db2.gz XSLGKQHUIWUYGC-OKILXGFUSA-N 2 2 360.462 0.901 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001322489148 1264203999 /nfs/dbraw/zinc/20/39/99/1264203999.db2.gz XQUNQCIXFJJNSC-HUUCEWRRSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001322489148 1264204007 /nfs/dbraw/zinc/20/40/07/1264204007.db2.gz XQUNQCIXFJJNSC-HUUCEWRRSA-N 2 2 359.474 0.554 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC001322574760 1264221970 /nfs/dbraw/zinc/22/19/70/1264221970.db2.gz MXNADTZTGTXZRL-HUUCEWRRSA-N 2 2 366.506 0.202 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC001322743145 1264254033 /nfs/dbraw/zinc/25/40/33/1264254033.db2.gz JVXJPYOCPKAOFE-OAHLLOKOSA-N 2 2 363.462 0.145 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC001322743145 1264254042 /nfs/dbraw/zinc/25/40/42/1264254042.db2.gz JVXJPYOCPKAOFE-OAHLLOKOSA-N 2 2 363.462 0.145 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001580403019 1278232529 /nfs/dbraw/zinc/23/25/29/1278232529.db2.gz ITNZKIZTNSFXIR-LLVKDONJSA-N 2 2 372.408 0.576 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001580402960 1278233215 /nfs/dbraw/zinc/23/32/15/1278233215.db2.gz FFQBVFQRCIGSTF-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001580404205 1278236282 /nfs/dbraw/zinc/23/62/82/1278236282.db2.gz WOTQYBPVRSJXNR-LLVKDONJSA-N 2 2 358.381 0.497 20 0 FCADLP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325623058 1264950310 /nfs/dbraw/zinc/95/03/10/1264950310.db2.gz IULLSOJWSHOLJU-INMHGKMJSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001325623058 1264950315 /nfs/dbraw/zinc/95/03/15/1264950315.db2.gz IULLSOJWSHOLJU-INMHGKMJSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH3+])[NH+]1CCOCC1 ZINC001325711661 1264975543 /nfs/dbraw/zinc/97/55/43/1264975543.db2.gz DDXUUFYXHNQFIZ-QGZVFWFLSA-N 2 2 362.474 0.235 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC001326346289 1265097254 /nfs/dbraw/zinc/09/72/54/1265097254.db2.gz CZCFCMGHAAXXES-QGZVFWFLSA-N 2 2 360.506 0.138 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1)[NH+](CC)CC ZINC001513435893 1265120857 /nfs/dbraw/zinc/12/08/57/1265120857.db2.gz YNDVJKLNDKBWNU-OWCLPIDISA-N 2 2 365.478 0.415 20 0 FCADLP CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326641670 1265148382 /nfs/dbraw/zinc/14/83/82/1265148382.db2.gz YOELXBYYJOSSLN-HNNXBMFYSA-N 2 2 366.506 0.299 20 0 FCADLP CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326641670 1265148389 /nfs/dbraw/zinc/14/83/89/1265148389.db2.gz YOELXBYYJOSSLN-HNNXBMFYSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001522452426 1266558417 /nfs/dbraw/zinc/55/84/17/1266558417.db2.gz CWBJFAKGSSGVMB-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001522452426 1266558421 /nfs/dbraw/zinc/55/84/21/1266558421.db2.gz CWBJFAKGSSGVMB-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP COC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001334960649 1267250478 /nfs/dbraw/zinc/25/04/78/1267250478.db2.gz BVRWLIOKNKBEPQ-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP COC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001334960649 1267250486 /nfs/dbraw/zinc/25/04/86/1267250486.db2.gz BVRWLIOKNKBEPQ-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP C[N@H+](CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC001542960931 1267516435 /nfs/dbraw/zinc/51/64/35/1267516435.db2.gz PKBJYDQMIKUSNO-UHFFFAOYSA-N 2 2 373.501 0.630 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC001542960931 1267516442 /nfs/dbraw/zinc/51/64/42/1267516442.db2.gz PKBJYDQMIKUSNO-UHFFFAOYSA-N 2 2 373.501 0.630 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)N2CCCC2)CC1 ZINC001548395383 1267694669 /nfs/dbraw/zinc/69/46/69/1267694669.db2.gz IBCNEMWGSSNBEW-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)N2CCCC2)CC1 ZINC001548395383 1267694678 /nfs/dbraw/zinc/69/46/78/1267694678.db2.gz IBCNEMWGSSNBEW-DLBZAZTESA-N 2 2 366.506 0.299 20 0 FCADLP COC[C@@H]1CN(c2cc(N3C[C@@H](OC)C[C@H]3C[NH+](C)C)nc[nH+]2)CCO1 ZINC001548434882 1267710399 /nfs/dbraw/zinc/71/03/99/1267710399.db2.gz HVQQKDUMAJNQDV-JYJNAYRXSA-N 2 2 365.478 0.484 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@@H](NC(=O)N2CCC[N@H+](C)CC2)CCC(=O)N1C1CC1 ZINC001548899319 1267767877 /nfs/dbraw/zinc/76/78/77/1267767877.db2.gz IZIPCGUERAVAMD-YJBOKZPZSA-N 2 2 374.489 0.962 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)CCC(=O)N1C1CC1 ZINC001548899319 1267767881 /nfs/dbraw/zinc/76/78/81/1267767881.db2.gz IZIPCGUERAVAMD-YJBOKZPZSA-N 2 2 374.489 0.962 20 0 FCADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H](C)[NH+]1C ZINC001548900141 1267768763 /nfs/dbraw/zinc/76/87/63/1267768763.db2.gz AUENLKAJIROJTI-HOTGVXAUSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC001549153489 1267830482 /nfs/dbraw/zinc/83/04/82/1267830482.db2.gz QUSOTDHXCMCYMF-NVNVUAJTSA-N 2 2 360.462 0.664 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC001549153489 1267830499 /nfs/dbraw/zinc/83/04/99/1267830499.db2.gz QUSOTDHXCMCYMF-NVNVUAJTSA-N 2 2 360.462 0.664 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001549154338 1267832636 /nfs/dbraw/zinc/83/26/36/1267832636.db2.gz VPBDHUTWYXFMOH-YOEHRIQHSA-N 2 2 360.462 0.620 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549155760 1267832872 /nfs/dbraw/zinc/83/28/72/1267832872.db2.gz NFMGOOGJKJOLJS-WVZRYYJFSA-N 2 2 362.478 0.768 20 0 FCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549155760 1267832877 /nfs/dbraw/zinc/83/28/77/1267832877.db2.gz NFMGOOGJKJOLJS-WVZRYYJFSA-N 2 2 362.478 0.768 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549157887 1267834959 /nfs/dbraw/zinc/83/49/59/1267834959.db2.gz COYDTPYTOWGUKE-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)C1 ZINC001549157887 1267834975 /nfs/dbraw/zinc/83/49/75/1267834975.db2.gz COYDTPYTOWGUKE-CPUCHLNUSA-N 2 2 362.478 0.771 20 0 FCADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549176321 1267853533 /nfs/dbraw/zinc/85/35/33/1267853533.db2.gz AXFFMTUHTJYZCX-QAPCUYQASA-N 2 2 370.457 0.959 20 0 FCADLP CCN(C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CC)C1 ZINC001549336057 1267902907 /nfs/dbraw/zinc/90/29/07/1267902907.db2.gz DQXWLZXHZOKXQV-ZQIUZPCESA-N 2 2 362.478 0.866 20 0 FCADLP CCN(C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CC)C1 ZINC001549336057 1267902912 /nfs/dbraw/zinc/90/29/12/1267902912.db2.gz DQXWLZXHZOKXQV-ZQIUZPCESA-N 2 2 362.478 0.866 20 0 FCADLP C[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894677 1268014477 /nfs/dbraw/zinc/01/44/77/1268014477.db2.gz GUNKHCDNXWVYBK-QZTJIDSGSA-N 2 2 356.470 0.636 20 0 FCADLP C[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)CC1 ZINC001549894677 1268014490 /nfs/dbraw/zinc/01/44/90/1268014490.db2.gz GUNKHCDNXWVYBK-QZTJIDSGSA-N 2 2 356.470 0.636 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nnc2n1CCC2 ZINC001338710855 1268056368 /nfs/dbraw/zinc/05/63/68/1268056368.db2.gz VFDPEROMNZBRGB-AWEZNQCLSA-N 2 2 363.510 0.953 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnc2n1CCC2 ZINC001338710855 1268056377 /nfs/dbraw/zinc/05/63/77/1268056377.db2.gz VFDPEROMNZBRGB-AWEZNQCLSA-N 2 2 363.510 0.953 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C2)nn1 ZINC001550095932 1268073589 /nfs/dbraw/zinc/07/35/89/1268073589.db2.gz RJNJVPXDKXUAOY-NWDGAFQWSA-N 2 2 357.340 0.900 20 0 FCADLP O=C([C@H]1C[NH2+]C[C@@H]1C(F)(F)F)N1CC[NH+](CCc2cnccn2)CC1 ZINC001550100824 1268074040 /nfs/dbraw/zinc/07/40/40/1268074040.db2.gz COCDPULAGTYWCO-KBPBESRZSA-N 2 2 357.380 0.561 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC001550654516 1268146318 /nfs/dbraw/zinc/14/63/18/1268146318.db2.gz FFGVZPVUEFAUNF-SMKXDYDZSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC001550654516 1268146323 /nfs/dbraw/zinc/14/63/23/1268146323.db2.gz FFGVZPVUEFAUNF-SMKXDYDZSA-N 2 2 360.462 0.475 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C2)cc1 ZINC001550728005 1268157856 /nfs/dbraw/zinc/15/78/56/1268157856.db2.gz XIMJQYKFKNIMFB-XWSJACJDSA-N 2 2 359.470 0.831 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)C2)cc1 ZINC001550728005 1268157857 /nfs/dbraw/zinc/15/78/57/1268157857.db2.gz XIMJQYKFKNIMFB-XWSJACJDSA-N 2 2 359.470 0.831 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C[C@@H]21 ZINC001550762949 1268164599 /nfs/dbraw/zinc/16/45/99/1268164599.db2.gz QOUNWBAOQAEREK-HRCADAONSA-N 2 2 352.479 0.260 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC4(CCOCC4)C3)C[C@@H]21 ZINC001550762949 1268164603 /nfs/dbraw/zinc/16/46/03/1268164603.db2.gz QOUNWBAOQAEREK-HRCADAONSA-N 2 2 352.479 0.260 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3C[NH2+]C[C@H]3F)C2)c1 ZINC001550765659 1268165992 /nfs/dbraw/zinc/16/59/92/1268165992.db2.gz VNHGHKDZSIRUFC-BRWVUGGUSA-N 2 2 350.438 0.805 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3C[NH2+]C[C@H]3F)C2)c1 ZINC001550765659 1268165994 /nfs/dbraw/zinc/16/59/94/1268165994.db2.gz VNHGHKDZSIRUFC-BRWVUGGUSA-N 2 2 350.438 0.805 20 0 FCADLP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001551494388 1268261318 /nfs/dbraw/zinc/26/13/18/1268261318.db2.gz YOYFNQRNTHIMAM-OALUTQOASA-N 2 2 366.469 0.971 20 0 FCADLP CC(C)[N@@H+]1CCCN(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)CC1 ZINC001339530306 1268262395 /nfs/dbraw/zinc/26/23/95/1268262395.db2.gz NVYOGXWMGMRDBT-UHFFFAOYSA-N 2 2 363.510 0.433 20 0 FCADLP CC(C)[N@H+]1CCCN(c2nnc(C[NH+]3CCC(C(N)=O)CC3)n2C)CC1 ZINC001339530306 1268262405 /nfs/dbraw/zinc/26/24/05/1268262405.db2.gz NVYOGXWMGMRDBT-UHFFFAOYSA-N 2 2 363.510 0.433 20 0 FCADLP CC(C)(CNC(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2)[NH+]1CCOCC1 ZINC001551567719 1268273455 /nfs/dbraw/zinc/27/34/55/1268273455.db2.gz RYPQKMBFDFHKRL-HUUCEWRRSA-N 2 2 364.412 0.938 20 0 FCADLP Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001339595282 1268276975 /nfs/dbraw/zinc/27/69/75/1268276975.db2.gz JZQZNDFXJCNZMA-HNNXBMFYSA-N 2 2 361.494 0.326 20 0 FCADLP Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001339595282 1268276983 /nfs/dbraw/zinc/27/69/83/1268276983.db2.gz JZQZNDFXJCNZMA-HNNXBMFYSA-N 2 2 361.494 0.326 20 0 FCADLP CO[C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551941642 1268320821 /nfs/dbraw/zinc/32/08/21/1268320821.db2.gz UNVNGVCBNGQDKV-CABCVRRESA-N 2 2 362.478 0.501 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580496938 1278406676 /nfs/dbraw/zinc/40/66/76/1278406676.db2.gz KWXXOZQAVPAQDJ-UHFFFAOYSA-N 2 2 372.408 0.828 20 0 FCADLP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001552215764 1268412241 /nfs/dbraw/zinc/41/22/41/1268412241.db2.gz LUHZENYHFGGHRM-CVEARBPZSA-N 3 2 361.494 0.053 20 0 FCADLP CN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001552215764 1268412245 /nfs/dbraw/zinc/41/22/45/1268412245.db2.gz LUHZENYHFGGHRM-CVEARBPZSA-N 3 2 361.494 0.053 20 0 FCADLP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001552215771 1268412699 /nfs/dbraw/zinc/41/26/99/1268412699.db2.gz LUHZENYHFGGHRM-JKSUJKDBSA-N 3 2 361.494 0.053 20 0 FCADLP CN(C(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001552215771 1268412701 /nfs/dbraw/zinc/41/27/01/1268412701.db2.gz LUHZENYHFGGHRM-JKSUJKDBSA-N 3 2 361.494 0.053 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435284 1268462095 /nfs/dbraw/zinc/46/20/95/1268462095.db2.gz CXTVTEHMIDXUIX-ZBFHGGJFSA-N 3 2 361.494 0.019 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552435284 1268462101 /nfs/dbraw/zinc/46/21/01/1268462101.db2.gz CXTVTEHMIDXUIX-ZBFHGGJFSA-N 3 2 361.494 0.019 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001552794260 1268548678 /nfs/dbraw/zinc/54/86/78/1268548678.db2.gz KAIDEXIKQYKGBG-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001552794260 1268548683 /nfs/dbraw/zinc/54/86/83/1268548683.db2.gz KAIDEXIKQYKGBG-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001552799829 1268550451 /nfs/dbraw/zinc/55/04/51/1268550451.db2.gz KAGBATLZOOKRJD-YYIAUSFCSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001552799829 1268550454 /nfs/dbraw/zinc/55/04/54/1268550454.db2.gz KAGBATLZOOKRJD-YYIAUSFCSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC001552799829 1268550460 /nfs/dbraw/zinc/55/04/60/1268550460.db2.gz KAGBATLZOOKRJD-YYIAUSFCSA-N 2 2 354.495 0.600 20 0 FCADLP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC001552799829 1268550463 /nfs/dbraw/zinc/55/04/63/1268550463.db2.gz KAGBATLZOOKRJD-YYIAUSFCSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553165076 1268601516 /nfs/dbraw/zinc/60/15/16/1268601516.db2.gz OHHAAXFCYNIRHS-BHIYHBOVSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](CNC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1)[NH+]1CCOCC1 ZINC001553425993 1268648094 /nfs/dbraw/zinc/64/80/94/1268648094.db2.gz HMMLZXYNWCRUTQ-CRAIPNDOSA-N 2 2 354.495 0.494 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449587 1268651320 /nfs/dbraw/zinc/65/13/20/1268651320.db2.gz GQSYJAHYZJJDMA-NVXWUHKLSA-N 3 2 365.522 0.304 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449587 1268651328 /nfs/dbraw/zinc/65/13/28/1268651328.db2.gz GQSYJAHYZJJDMA-NVXWUHKLSA-N 3 2 365.522 0.304 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC001340803986 1268664067 /nfs/dbraw/zinc/66/40/67/1268664067.db2.gz YHNNNEPTFJBMLA-HUUCEWRRSA-N 2 2 365.478 0.028 20 0 FCADLP O=C(C[C@H]1CCS(=O)(=O)C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001580510501 1278427677 /nfs/dbraw/zinc/42/76/77/1278427677.db2.gz ATLPZNWAEKBZIW-BMFZPTHFSA-N 2 2 355.504 0.238 20 0 FCADLP O=C(C[C@H]1CCS(=O)(=O)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001580510501 1278427679 /nfs/dbraw/zinc/42/76/79/1278427679.db2.gz ATLPZNWAEKBZIW-BMFZPTHFSA-N 2 2 355.504 0.238 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC001553745314 1268695232 /nfs/dbraw/zinc/69/52/32/1268695232.db2.gz KXQDXDSFQHEGEI-BMIGLBTASA-N 2 2 353.390 0.410 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001555582329 1268788353 /nfs/dbraw/zinc/78/83/53/1268788353.db2.gz UGAVGCKFYWWAMR-CVEARBPZSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001555582329 1268788360 /nfs/dbraw/zinc/78/83/60/1268788360.db2.gz UGAVGCKFYWWAMR-CVEARBPZSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001555582329 1268788366 /nfs/dbraw/zinc/78/83/66/1268788366.db2.gz UGAVGCKFYWWAMR-CVEARBPZSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001555582329 1268788369 /nfs/dbraw/zinc/78/83/69/1268788369.db2.gz UGAVGCKFYWWAMR-CVEARBPZSA-N 2 2 366.510 0.464 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001341678280 1269147691 /nfs/dbraw/zinc/14/76/91/1269147691.db2.gz WNUYTEWCUAHIBR-GOSISDBHSA-N 3 2 367.538 0.151 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001341959596 1269279211 /nfs/dbraw/zinc/27/92/11/1269279211.db2.gz UCWVWFMLVXUJJP-COXVUDFISA-N 2 2 372.473 0.192 20 0 FCADLP Cc1c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC001342303318 1269425455 /nfs/dbraw/zinc/42/54/55/1269425455.db2.gz MLYPQFJUZUDBAE-CYBMUJFWSA-N 2 2 350.467 0.304 20 0 FCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001342508943 1269496519 /nfs/dbraw/zinc/49/65/19/1269496519.db2.gz VSAVLSNUNSTDRC-OAHLLOKOSA-N 2 2 354.370 0.744 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001573067302 1270588813 /nfs/dbraw/zinc/58/88/13/1270588813.db2.gz YADHVANKQHPIBT-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001573067302 1270588816 /nfs/dbraw/zinc/58/88/16/1270588816.db2.gz YADHVANKQHPIBT-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027440 1271004679 /nfs/dbraw/zinc/00/46/79/1271004679.db2.gz HVFCFKHSETXOEN-LSDHHAIUSA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574027440 1271004684 /nfs/dbraw/zinc/00/46/84/1271004684.db2.gz HVFCFKHSETXOEN-LSDHHAIUSA-N 2 2 358.450 0.331 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574253918 1271123398 /nfs/dbraw/zinc/12/33/98/1271123398.db2.gz BHJMUEYGMMJOON-XJKSGUPXSA-N 2 2 370.461 0.639 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574253918 1271123401 /nfs/dbraw/zinc/12/34/01/1271123401.db2.gz BHJMUEYGMMJOON-XJKSGUPXSA-N 2 2 370.461 0.639 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001574253895 1271124553 /nfs/dbraw/zinc/12/45/53/1271124553.db2.gz ABQHDOMQSQEZRT-HOTGVXAUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001574253895 1271124555 /nfs/dbraw/zinc/12/45/55/1271124555.db2.gz ABQHDOMQSQEZRT-HOTGVXAUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001574253895 1271124558 /nfs/dbraw/zinc/12/45/58/1271124558.db2.gz ABQHDOMQSQEZRT-HOTGVXAUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001574253895 1271124559 /nfs/dbraw/zinc/12/45/59/1271124559.db2.gz ABQHDOMQSQEZRT-HOTGVXAUSA-N 2 2 369.473 0.992 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260280 1271131754 /nfs/dbraw/zinc/13/17/54/1271131754.db2.gz FDSMGAUPTOPRKT-CYBMUJFWSA-N 2 2 358.450 0.544 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574260280 1271131759 /nfs/dbraw/zinc/13/17/59/1271131759.db2.gz FDSMGAUPTOPRKT-CYBMUJFWSA-N 2 2 358.450 0.544 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574260588 1271132673 /nfs/dbraw/zinc/13/26/73/1271132673.db2.gz NCOHRNGLGNYQEF-UHFFFAOYSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001574260588 1271132681 /nfs/dbraw/zinc/13/26/81/1271132681.db2.gz NCOHRNGLGNYQEF-UHFFFAOYSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574264838 1271140878 /nfs/dbraw/zinc/14/08/78/1271140878.db2.gz QAQBFRYDXKCWSN-INWMFGNUSA-N 2 2 370.461 0.828 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574264838 1271140881 /nfs/dbraw/zinc/14/08/81/1271140881.db2.gz QAQBFRYDXKCWSN-INWMFGNUSA-N 2 2 370.461 0.828 20 0 FCADLP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574370560 1271237922 /nfs/dbraw/zinc/23/79/22/1271237922.db2.gz JGACVKDMHSBZIZ-OAHLLOKOSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@@H](CCNC(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574606211 1271413381 /nfs/dbraw/zinc/41/33/81/1271413381.db2.gz FPWLPPCDGZCKFE-ZDUSSCGKSA-N 2 2 369.433 0.667 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574780351 1271514077 /nfs/dbraw/zinc/51/40/77/1271514077.db2.gz ZYPPJAWMYQMJRG-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574780351 1271514084 /nfs/dbraw/zinc/51/40/84/1271514084.db2.gz ZYPPJAWMYQMJRG-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N2CC[C@@H]([NH3+])C2)CC1 ZINC001574993242 1271688178 /nfs/dbraw/zinc/68/81/78/1271688178.db2.gz RUHBEIPPRDLNEY-MRXNPFEDSA-N 2 2 361.494 0.247 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cnnn1C1C[NH2+]C1 ZINC001580661371 1278663420 /nfs/dbraw/zinc/66/34/20/1278663420.db2.gz TZNCYIAWMXQCSR-MRXNPFEDSA-N 2 2 356.430 0.053 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cnnn1C1C[NH2+]C1 ZINC001580661371 1278663432 /nfs/dbraw/zinc/66/34/32/1278663432.db2.gz TZNCYIAWMXQCSR-MRXNPFEDSA-N 2 2 356.430 0.053 20 0 FCADLP C[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001575379096 1272021936 /nfs/dbraw/zinc/02/19/36/1272021936.db2.gz LVCHIBQXVBQMIP-MNOVXSKESA-N 2 2 372.408 0.954 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566799 1272202172 /nfs/dbraw/zinc/20/21/72/1272202172.db2.gz NOKHLAPVBVLFNI-ZBFHGGJFSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566799 1272202180 /nfs/dbraw/zinc/20/21/80/1272202180.db2.gz NOKHLAPVBVLFNI-ZBFHGGJFSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566799 1272202185 /nfs/dbraw/zinc/20/21/85/1272202185.db2.gz NOKHLAPVBVLFNI-ZBFHGGJFSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566799 1272202189 /nfs/dbraw/zinc/20/21/89/1272202189.db2.gz NOKHLAPVBVLFNI-ZBFHGGJFSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]Cc2cnn[nH]2)CCCC1 ZINC001575567179 1272202875 /nfs/dbraw/zinc/20/28/75/1272202875.db2.gz RXHZXLBJHACDNZ-CQSZACIVSA-N 2 2 350.467 0.292 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566796 1272202904 /nfs/dbraw/zinc/20/29/04/1272202904.db2.gz NOKHLAPVBVLFNI-GDBMZVCRSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2cn[nH]n2)CC1(C)C ZINC001575566796 1272202910 /nfs/dbraw/zinc/20/29/10/1272202910.db2.gz NOKHLAPVBVLFNI-GDBMZVCRSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566796 1272202913 /nfs/dbraw/zinc/20/29/13/1272202913.db2.gz NOKHLAPVBVLFNI-GDBMZVCRSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCc2c[nH]nn2)CC1(C)C ZINC001575566796 1272202919 /nfs/dbraw/zinc/20/29/19/1272202919.db2.gz NOKHLAPVBVLFNI-GDBMZVCRSA-N 2 2 364.494 0.142 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576019564 1272719900 /nfs/dbraw/zinc/71/99/00/1272719900.db2.gz AAFGHLRVKWSFGK-SWLSCSKDSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021110 1272722673 /nfs/dbraw/zinc/72/26/73/1272722673.db2.gz XAMYPDHPJHXLFP-WBMJQRKESA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020899 1272723200 /nfs/dbraw/zinc/72/32/00/1272723200.db2.gz HGGZRMHGVVRXJT-CZUORRHYSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257310 1273041279 /nfs/dbraw/zinc/04/12/79/1273041279.db2.gz YFUXLGIABFNSRL-UKRRQHHQSA-N 2 2 370.461 0.428 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257023 1273041921 /nfs/dbraw/zinc/04/19/21/1273041921.db2.gz VMCOKZWTEMVIBE-IUODEOHRSA-N 2 2 367.417 0.229 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257311 1273043937 /nfs/dbraw/zinc/04/39/37/1273043937.db2.gz YFUXLGIABFNSRL-ZFWWWQNUSA-N 2 2 370.461 0.428 20 0 FCADLP CCC(=O)N(C)CC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576409623 1273242794 /nfs/dbraw/zinc/24/27/94/1273242794.db2.gz FWUVDBXCHNNFFK-UHFFFAOYSA-N 2 2 358.450 0.561 20 0 FCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576506098 1273374110 /nfs/dbraw/zinc/37/41/10/1273374110.db2.gz NPQNIWSXMDCGDQ-HNNXBMFYSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)[NH+](C)C ZINC001576506098 1273374120 /nfs/dbraw/zinc/37/41/20/1273374120.db2.gz NPQNIWSXMDCGDQ-HNNXBMFYSA-N 2 2 363.441 0.894 20 0 FCADLP CC[C@H](C(=O)NC[C@@H](C)N(CC)c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576507386 1273378721 /nfs/dbraw/zinc/37/87/21/1273378721.db2.gz YRNUDZVCMSRPAX-TZMCWYRMSA-N 2 2 360.466 0.933 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576508267 1273380716 /nfs/dbraw/zinc/38/07/16/1273380716.db2.gz GDBAGJXUKQDPOU-UYHMYPTGSA-N 2 2 370.461 0.828 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557686 1273436993 /nfs/dbraw/zinc/43/69/93/1273436993.db2.gz SRTJVGMIJOTPLW-JKSUJKDBSA-N 2 2 362.478 0.181 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCc3c[nH]nn3)C2)C1 ZINC001576557686 1273436996 /nfs/dbraw/zinc/43/69/96/1273436996.db2.gz SRTJVGMIJOTPLW-JKSUJKDBSA-N 2 2 362.478 0.181 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558705 1273438696 /nfs/dbraw/zinc/43/86/96/1273438696.db2.gz ZLTACPYLKBUZHH-HZPDHXFCSA-N 2 2 350.467 0.386 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576558705 1273438702 /nfs/dbraw/zinc/43/87/02/1273438702.db2.gz ZLTACPYLKBUZHH-HZPDHXFCSA-N 2 2 350.467 0.386 20 0 FCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC001576760282 1273631941 /nfs/dbraw/zinc/63/19/41/1273631941.db2.gz NIRCHTWUEXPDAZ-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC001576760282 1273631950 /nfs/dbraw/zinc/63/19/50/1273631950.db2.gz NIRCHTWUEXPDAZ-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901753 1273905740 /nfs/dbraw/zinc/90/57/40/1273905740.db2.gz BDTZAEFXUJOWQI-RDJZCZTQSA-N 2 2 350.467 0.122 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576901753 1273905747 /nfs/dbraw/zinc/90/57/47/1273905747.db2.gz BDTZAEFXUJOWQI-RDJZCZTQSA-N 2 2 350.467 0.122 20 0 FCADLP CCC[N@H+](C)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577560459 1274508282 /nfs/dbraw/zinc/50/82/82/1274508282.db2.gz FQZSWMZLGNPYJV-UHFFFAOYSA-N 2 2 372.477 0.866 20 0 FCADLP CCC[N@@H+](C)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001577560459 1274508285 /nfs/dbraw/zinc/50/82/85/1274508285.db2.gz FQZSWMZLGNPYJV-UHFFFAOYSA-N 2 2 372.477 0.866 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577563667 1274517803 /nfs/dbraw/zinc/51/78/03/1274517803.db2.gz WIIUZPBJJXEARH-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001577563667 1274517808 /nfs/dbraw/zinc/51/78/08/1274517808.db2.gz WIIUZPBJJXEARH-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577888739 1275096482 /nfs/dbraw/zinc/09/64/82/1275096482.db2.gz VEMQKLGSSZXHGY-KRWDZBQOSA-N 2 2 358.450 0.689 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985603 1275223132 /nfs/dbraw/zinc/22/31/32/1275223132.db2.gz LFBDBXNFDMJKNT-CQSZACIVSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCc2c[nH]nn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985603 1275223135 /nfs/dbraw/zinc/22/31/35/1275223135.db2.gz LFBDBXNFDMJKNT-CQSZACIVSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CCc2cn[nH]n2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985603 1275223141 /nfs/dbraw/zinc/22/31/41/1275223141.db2.gz LFBDBXNFDMJKNT-CQSZACIVSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CCc2cn[nH]n2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985603 1275223146 /nfs/dbraw/zinc/22/31/46/1275223146.db2.gz LFBDBXNFDMJKNT-CQSZACIVSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001578027089 1275299707 /nfs/dbraw/zinc/29/97/07/1275299707.db2.gz BOYPZWXVOSWGKE-HNNXBMFYSA-N 2 2 373.461 0.825 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001578027089 1275299713 /nfs/dbraw/zinc/29/97/13/1275299713.db2.gz BOYPZWXVOSWGKE-HNNXBMFYSA-N 2 2 373.461 0.825 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001578042325 1275327718 /nfs/dbraw/zinc/32/77/18/1275327718.db2.gz NHEBRUZQJBSNCZ-CYBMUJFWSA-N 2 2 352.402 0.637 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21)[NH+](C)C ZINC001578468504 1275880428 /nfs/dbraw/zinc/88/04/28/1275880428.db2.gz QAIJTORGQXUZTG-JGGQBBKZSA-N 2 2 370.461 0.639 20 0 FCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532553 1275963565 /nfs/dbraw/zinc/96/35/65/1275963565.db2.gz LLLRPRCQAJZMGI-UONOGXRCSA-N 2 2 356.467 0.032 20 0 FCADLP C[N@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532553 1275963571 /nfs/dbraw/zinc/96/35/71/1275963571.db2.gz LLLRPRCQAJZMGI-UONOGXRCSA-N 2 2 356.467 0.032 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC001578554051 1275982283 /nfs/dbraw/zinc/98/22/83/1275982283.db2.gz BKLBYJOMUOCZMY-QGZVFWFLSA-N 2 2 358.486 0.959 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC001578554051 1275982290 /nfs/dbraw/zinc/98/22/90/1275982290.db2.gz BKLBYJOMUOCZMY-QGZVFWFLSA-N 2 2 358.486 0.959 20 0 FCADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578886267 1276418228 /nfs/dbraw/zinc/41/82/28/1276418228.db2.gz MMGLKVBDYRKCTL-UHFFFAOYSA-N 2 2 366.429 0.912 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578886799 1276419496 /nfs/dbraw/zinc/41/94/96/1276419496.db2.gz HVNRYQFVARBPLE-GFCCVEGCSA-N 2 2 353.390 0.196 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CCC1 ZINC001578963329 1276506558 /nfs/dbraw/zinc/50/65/58/1276506558.db2.gz ARCHMZAVJOZNBX-CYBMUJFWSA-N 2 2 370.461 0.831 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578976190 1276527610 /nfs/dbraw/zinc/52/76/10/1276527610.db2.gz QHNBGPBGZLWXAM-KBPBESRZSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001578976190 1276527617 /nfs/dbraw/zinc/52/76/17/1276527617.db2.gz QHNBGPBGZLWXAM-KBPBESRZSA-N 2 2 373.436 0.743 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578980930 1276542113 /nfs/dbraw/zinc/54/21/13/1276542113.db2.gz RCWCPHVYBBUSNY-AWEZNQCLSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001578980930 1276542116 /nfs/dbraw/zinc/54/21/16/1276542116.db2.gz RCWCPHVYBBUSNY-AWEZNQCLSA-N 2 2 361.425 0.648 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])CC(F)(F)F)CC1 ZINC001579016341 1276591445 /nfs/dbraw/zinc/59/14/45/1276591445.db2.gz RNXSPQPAABKIML-STQMWFEESA-N 2 2 354.417 0.425 20 0 FCADLP CN(C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083734 1276711120 /nfs/dbraw/zinc/71/11/20/1276711120.db2.gz WELGSELTINEYKA-CZUORRHYSA-N 2 2 370.461 0.641 20 0 FCADLP CN(C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083734 1276711126 /nfs/dbraw/zinc/71/11/26/1276711126.db2.gz WELGSELTINEYKA-CZUORRHYSA-N 2 2 370.461 0.641 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579101091 1276757553 /nfs/dbraw/zinc/75/75/53/1276757553.db2.gz HDWYWOPIDRHQOC-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579101091 1276757558 /nfs/dbraw/zinc/75/75/58/1276757558.db2.gz HDWYWOPIDRHQOC-MRXNPFEDSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[NH+]1C ZINC001579102929 1276759489 /nfs/dbraw/zinc/75/94/89/1276759489.db2.gz SLIWUNGVMOFKDR-NVXWUHKLSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[NH+]1C ZINC001579102929 1276759500 /nfs/dbraw/zinc/75/95/00/1276759500.db2.gz SLIWUNGVMOFKDR-NVXWUHKLSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001579102929 1276759511 /nfs/dbraw/zinc/75/95/11/1276759511.db2.gz SLIWUNGVMOFKDR-NVXWUHKLSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C[C@H]1CC[NH+]1Cc1ccccc1-c1nn[nH]n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001579102929 1276759516 /nfs/dbraw/zinc/75/95/16/1276759516.db2.gz SLIWUNGVMOFKDR-NVXWUHKLSA-N 2 2 369.473 0.994 20 0 FCADLP CN(CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579126767 1276805805 /nfs/dbraw/zinc/80/58/05/1276805805.db2.gz BEPNAZPHOJTYBL-UHFFFAOYSA-N 2 2 360.447 0.832 20 0 FCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579128580 1276812904 /nfs/dbraw/zinc/81/29/04/1276812904.db2.gz OAXZLNACKHKVLQ-KRWDZBQOSA-N 2 2 360.462 0.679 20 0 FCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579128580 1276812917 /nfs/dbraw/zinc/81/29/17/1276812917.db2.gz OAXZLNACKHKVLQ-KRWDZBQOSA-N 2 2 360.462 0.679 20 0 FCADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001579255999 1277052182 /nfs/dbraw/zinc/05/21/82/1277052182.db2.gz MVTDFZOOLHJPFI-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001579255999 1277052183 /nfs/dbraw/zinc/05/21/83/1277052183.db2.gz MVTDFZOOLHJPFI-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP Cc1ccnc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001713074380 1287264222 /nfs/dbraw/zinc/26/42/22/1287264222.db2.gz SGGXVDAQYRLAMI-IAGOWNOFSA-N 2 2 360.506 0.359 20 0 FCADLP Cc1ccnc(CN2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001713074380 1287264225 /nfs/dbraw/zinc/26/42/25/1287264225.db2.gz SGGXVDAQYRLAMI-IAGOWNOFSA-N 2 2 360.506 0.359 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579281432 1277098443 /nfs/dbraw/zinc/09/84/43/1277098443.db2.gz DGZMVEJIILMEQD-ZDUSSCGKSA-N 2 2 356.434 0.395 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579283821 1277102570 /nfs/dbraw/zinc/10/25/70/1277102570.db2.gz FDTZDNUJQSEFBS-IUODEOHRSA-N 2 2 356.434 0.393 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579283821 1277102571 /nfs/dbraw/zinc/10/25/71/1277102571.db2.gz FDTZDNUJQSEFBS-IUODEOHRSA-N 2 2 356.434 0.393 20 0 FCADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCC(OC3C[NH2+]C3)CC2)cc1 ZINC001579350687 1277206494 /nfs/dbraw/zinc/20/64/94/1277206494.db2.gz VNXUXZNZETUCCL-KRWDZBQOSA-N 2 2 354.472 0.576 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353157 1277211142 /nfs/dbraw/zinc/21/11/42/1277211142.db2.gz FEWHWGWHTHTGKI-INIZCTEOSA-N 2 2 355.446 0.604 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579353157 1277211143 /nfs/dbraw/zinc/21/11/43/1277211143.db2.gz FEWHWGWHTHTGKI-INIZCTEOSA-N 2 2 355.446 0.604 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356206 1277220011 /nfs/dbraw/zinc/22/00/11/1277220011.db2.gz IZXRWKKBAJPZIA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356206 1277220012 /nfs/dbraw/zinc/22/00/12/1277220012.db2.gz IZXRWKKBAJPZIA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356206 1277220018 /nfs/dbraw/zinc/22/00/18/1277220018.db2.gz IZXRWKKBAJPZIA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579356206 1277220022 /nfs/dbraw/zinc/22/00/22/1277220022.db2.gz IZXRWKKBAJPZIA-HOCLYGCPSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356772 1277222214 /nfs/dbraw/zinc/22/22/14/1277222214.db2.gz NAEKZKPHNBRJCA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356772 1277222217 /nfs/dbraw/zinc/22/22/17/1277222217.db2.gz NAEKZKPHNBRJCA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356772 1277222221 /nfs/dbraw/zinc/22/22/21/1277222221.db2.gz NAEKZKPHNBRJCA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356772 1277222224 /nfs/dbraw/zinc/22/22/24/1277222224.db2.gz NAEKZKPHNBRJCA-GDBMZVCRSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356581 1277222811 /nfs/dbraw/zinc/22/28/11/1277222811.db2.gz LSTVLVFBNXFPKC-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356581 1277222813 /nfs/dbraw/zinc/22/28/13/1277222813.db2.gz LSTVLVFBNXFPKC-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356581 1277222815 /nfs/dbraw/zinc/22/28/15/1277222815.db2.gz LSTVLVFBNXFPKC-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356581 1277222816 /nfs/dbraw/zinc/22/28/16/1277222816.db2.gz LSTVLVFBNXFPKC-ULQDDVLXSA-N 2 2 367.457 0.746 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359144 1277231478 /nfs/dbraw/zinc/23/14/78/1277231478.db2.gz OZQFHMGUVUOZHJ-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359144 1277231480 /nfs/dbraw/zinc/23/14/80/1277231480.db2.gz OZQFHMGUVUOZHJ-INIZCTEOSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579359403 1277231547 /nfs/dbraw/zinc/23/15/47/1277231547.db2.gz UHPZQYNRUBVJCQ-HNNXBMFYSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCCC1 ZINC001579359403 1277231549 /nfs/dbraw/zinc/23/15/49/1277231549.db2.gz UHPZQYNRUBVJCQ-HNNXBMFYSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359182 1277231840 /nfs/dbraw/zinc/23/18/40/1277231840.db2.gz PTOGJBUGHVFTTM-SWLSCSKDSA-N 2 2 356.434 0.298 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579359182 1277231844 /nfs/dbraw/zinc/23/18/44/1277231844.db2.gz PTOGJBUGHVFTTM-SWLSCSKDSA-N 2 2 356.434 0.298 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001579365648 1277244600 /nfs/dbraw/zinc/24/46/00/1277244600.db2.gz JJNOHCXPMAZMKC-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001579365648 1277244605 /nfs/dbraw/zinc/24/46/05/1277244605.db2.gz JJNOHCXPMAZMKC-XJKSGUPXSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579366805 1277247694 /nfs/dbraw/zinc/24/76/94/1277247694.db2.gz HKHOLKJROCCOJE-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001579366805 1277247696 /nfs/dbraw/zinc/24/76/96/1277247696.db2.gz HKHOLKJROCCOJE-KRWDZBQOSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368853 1277250444 /nfs/dbraw/zinc/25/04/44/1277250444.db2.gz LVHQNBXDMSTUKA-SEEARECTSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579368853 1277250446 /nfs/dbraw/zinc/25/04/46/1277250446.db2.gz LVHQNBXDMSTUKA-SEEARECTSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579372290 1277256246 /nfs/dbraw/zinc/25/62/46/1277256246.db2.gz QNWHLGWZSJNIMX-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579372290 1277256253 /nfs/dbraw/zinc/25/62/53/1277256253.db2.gz QNWHLGWZSJNIMX-CZUORRHYSA-N 2 2 370.461 0.831 20 0 FCADLP Cc1ccccc1CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713453372 1287278285 /nfs/dbraw/zinc/27/82/85/1287278285.db2.gz YWXSMDLWKYOUSR-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1ccccc1CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713453372 1287278292 /nfs/dbraw/zinc/27/82/92/1287278292.db2.gz YWXSMDLWKYOUSR-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1ccccc1CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713453372 1287278300 /nfs/dbraw/zinc/27/83/00/1287278300.db2.gz YWXSMDLWKYOUSR-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1ccccc1CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713453372 1287278310 /nfs/dbraw/zinc/27/83/10/1287278310.db2.gz YWXSMDLWKYOUSR-SJLPKXTDSA-N 2 2 360.502 0.999 20 0 FCADLP Cc1nnc([C@@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001713807130 1287299712 /nfs/dbraw/zinc/29/97/12/1287299712.db2.gz WEVDXHJTZSIEOX-IIAWOOMASA-N 2 2 363.510 0.248 20 0 FCADLP Cc1nnc([C@@H](C)N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001713807130 1287299713 /nfs/dbraw/zinc/29/97/13/1287299713.db2.gz WEVDXHJTZSIEOX-IIAWOOMASA-N 2 2 363.510 0.248 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001579965663 1277980456 /nfs/dbraw/zinc/98/04/56/1277980456.db2.gz HKBVOBSNNVHHGZ-NSHDSACASA-N 2 2 370.417 0.435 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580948889 1279155488 /nfs/dbraw/zinc/15/54/88/1279155488.db2.gz DTVKNRBMTXCWIG-UHFFFAOYSA-N 2 2 355.406 0.397 20 0 FCADLP Cc1cc(N2CC[NH+](CCN(C)C(=O)C3CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580970554 1279171868 /nfs/dbraw/zinc/17/18/68/1279171868.db2.gz QLPPQELYEXWLPU-UHFFFAOYSA-N 2 2 370.461 0.561 20 0 FCADLP Cc1cc(N[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996141 1279207157 /nfs/dbraw/zinc/20/71/57/1279207157.db2.gz VZUSEVAZRROJMZ-OLZOCXBDSA-N 2 2 369.433 0.756 20 0 FCADLP Cc1cc(NC2CC(CNC(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581002656 1279219397 /nfs/dbraw/zinc/21/93/97/1279219397.db2.gz UKEBEDQNXSMUMG-UHFFFAOYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1cc(NCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581026425 1279259261 /nfs/dbraw/zinc/25/92/61/1279259261.db2.gz GNPSMTLQWXWRKS-UHFFFAOYSA-N 2 2 369.433 0.563 20 0 FCADLP Cc1cc(NCC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581027928 1279262635 /nfs/dbraw/zinc/26/26/35/1279262635.db2.gz YTHICLGJOICFAK-LLVKDONJSA-N 2 2 355.406 0.195 20 0 FCADLP Cc1cc(N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581034539 1279270740 /nfs/dbraw/zinc/27/07/40/1279270740.db2.gz PWKVXJBYSNUFPV-NSHDSACASA-N 2 2 355.406 0.195 20 0 FCADLP Cc1cc(N[C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038142 1279275143 /nfs/dbraw/zinc/27/51/43/1279275143.db2.gz DXYUEPCMUUJACA-BETUJISGSA-N 2 2 367.417 0.338 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581337724 1279716576 /nfs/dbraw/zinc/71/65/76/1279716576.db2.gz GRRRUGQCQFINAG-ZDUSSCGKSA-N 2 2 367.417 0.292 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338510 1279718309 /nfs/dbraw/zinc/71/83/09/1279718309.db2.gz NKBGDCIPODPHMK-GFCCVEGCSA-N 2 2 354.418 0.666 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338609 1279719480 /nfs/dbraw/zinc/71/94/80/1279719480.db2.gz REGUTCXBLSSHJQ-UHFFFAOYSA-N 2 2 354.418 0.620 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338609 1279719483 /nfs/dbraw/zinc/71/94/83/1279719483.db2.gz REGUTCXBLSSHJQ-UHFFFAOYSA-N 2 2 354.418 0.620 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339559 1279721422 /nfs/dbraw/zinc/72/14/22/1279721422.db2.gz HKMWVOHGSDLKGU-LLVKDONJSA-N 2 2 355.406 0.408 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581340941 1279724808 /nfs/dbraw/zinc/72/48/08/1279724808.db2.gz XTIIATHDESUGBM-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581340941 1279724813 /nfs/dbraw/zinc/72/48/13/1279724813.db2.gz XTIIATHDESUGBM-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562766 1280137450 /nfs/dbraw/zinc/13/74/50/1280137450.db2.gz BYJOOBNVKCRYPC-LLVKDONJSA-N 2 2 355.406 0.053 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001581563301 1280140022 /nfs/dbraw/zinc/14/00/22/1280140022.db2.gz KLTWXYNTEGVZKG-UHFFFAOYSA-N 2 2 367.417 0.340 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]2C1 ZINC001717012163 1287401714 /nfs/dbraw/zinc/40/17/14/1287401714.db2.gz DYLOLAJOCTWAEB-YYIAUSFCSA-N 2 2 371.485 0.440 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]2C1 ZINC001717012163 1287401721 /nfs/dbraw/zinc/40/17/21/1287401721.db2.gz DYLOLAJOCTWAEB-YYIAUSFCSA-N 2 2 371.485 0.440 20 0 FCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603530394 1287407728 /nfs/dbraw/zinc/40/77/28/1287407728.db2.gz ZFGHEFYMDQRSED-RYUDHWBXSA-N 2 2 367.417 0.059 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581814372 1280557234 /nfs/dbraw/zinc/55/72/34/1280557234.db2.gz KAMUQMCPXYWOOE-UHFFFAOYSA-N 2 2 367.417 0.063 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001603590679 1287430476 /nfs/dbraw/zinc/43/04/76/1287430476.db2.gz JNBKNKZAVGYOHK-GFCCVEGCSA-N 2 2 361.431 0.515 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582089108 1281041645 /nfs/dbraw/zinc/04/16/45/1281041645.db2.gz UJSPRYJGUVMICT-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582089108 1281041655 /nfs/dbraw/zinc/04/16/55/1281041655.db2.gz UJSPRYJGUVMICT-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582088936 1281042938 /nfs/dbraw/zinc/04/29/38/1281042938.db2.gz OPMJOVBXYFEUDW-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582088936 1281042944 /nfs/dbraw/zinc/04/29/44/1281042944.db2.gz OPMJOVBXYFEUDW-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582089149 1281043408 /nfs/dbraw/zinc/04/34/08/1281043408.db2.gz WEJMHFTYRMTUDZ-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582089250 1281044225 /nfs/dbraw/zinc/04/42/25/1281044225.db2.gz ZSQDNCZRXIIAND-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582089187 1281044251 /nfs/dbraw/zinc/04/42/51/1281044251.db2.gz XNVBIGOAOZEGPV-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582100804 1281058086 /nfs/dbraw/zinc/05/80/86/1281058086.db2.gz PBYWTADUVPWUFB-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001582100804 1281058092 /nfs/dbraw/zinc/05/80/92/1281058092.db2.gz PBYWTADUVPWUFB-AWEZNQCLSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582169073 1281134378 /nfs/dbraw/zinc/13/43/78/1281134378.db2.gz CFOAXNOYPHYSRN-CQSZACIVSA-N 2 2 352.402 0.523 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582169156 1281135707 /nfs/dbraw/zinc/13/57/07/1281135707.db2.gz GQNRFZVTYUFGLL-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171345 1281140290 /nfs/dbraw/zinc/14/02/90/1281140290.db2.gz HMFUOMXWACSWGH-MQMHXKEQSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183847 1281163944 /nfs/dbraw/zinc/16/39/44/1281163944.db2.gz LGKFUKLFVLGYOO-BETUJISGSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001582196737 1281178426 /nfs/dbraw/zinc/17/84/26/1281178426.db2.gz SQESXZGRWLNDLI-UHFFFAOYSA-N 2 2 366.429 0.892 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197411 1281181986 /nfs/dbraw/zinc/18/19/86/1281181986.db2.gz OABXKNKQZAMWRC-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197411 1281181990 /nfs/dbraw/zinc/18/19/90/1281181990.db2.gz OABXKNKQZAMWRC-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001589932597 1283137068 /nfs/dbraw/zinc/13/70/68/1283137068.db2.gz AHMJWBGGUBASQG-LBPRGKRZSA-N 2 2 358.450 0.650 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001590172955 1283273464 /nfs/dbraw/zinc/27/34/64/1283273464.db2.gz AFUDPIUMFKILRB-BLLLJJGKSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307973 1283453500 /nfs/dbraw/zinc/45/35/00/1283453500.db2.gz KJMJOIUZUMNZCU-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590307973 1283453504 /nfs/dbraw/zinc/45/35/04/1283453504.db2.gz KJMJOIUZUMNZCU-RHSMWYFYSA-N 2 2 356.478 0.720 20 0 FCADLP CCN(CCCNC(=O)C[NH+]1CCCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590695000 1283735150 /nfs/dbraw/zinc/73/51/50/1283735150.db2.gz DOTLCKJRCPBEQY-UHFFFAOYSA-N 2 2 358.450 0.690 20 0 FCADLP CN1CC[NH+](CC2(C)CCN(c3ccc(-c4nn[nH]n4)c(N)[nH+]3)CC2)CC1 ZINC001591193319 1284311251 /nfs/dbraw/zinc/31/12/51/1284311251.db2.gz PRLYGKMYRMOEPA-UHFFFAOYSA-N 2 2 371.493 0.698 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001591791723 1284904536 /nfs/dbraw/zinc/90/45/36/1284904536.db2.gz NCWKYGUXUOUCKR-UHFFFAOYSA-N 2 2 354.418 0.737 20 0 FCADLP Cc1ccn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266770 1285210012 /nfs/dbraw/zinc/21/00/12/1285210012.db2.gz GVZSCKKDKBKCTK-SOUVJXGZSA-N 2 2 357.462 0.956 20 0 FCADLP Cc1ccn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=O)c1-c1nn[nH]n1 ZINC001592266770 1285210019 /nfs/dbraw/zinc/21/00/19/1285210019.db2.gz GVZSCKKDKBKCTK-SOUVJXGZSA-N 2 2 357.462 0.956 20 0 FCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001592418844 1285343566 /nfs/dbraw/zinc/34/35/66/1285343566.db2.gz KPUQVFYUVIMUFU-UHFFFAOYSA-N 2 2 353.434 0.979 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592860299 1285764017 /nfs/dbraw/zinc/76/40/17/1285764017.db2.gz YETRGKVHMVASNU-UHFFFAOYSA-N 2 2 358.381 0.498 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2nn[nH]n2)cs1 ZINC001609283810 1289046693 /nfs/dbraw/zinc/04/66/93/1289046693.db2.gz QDJKUTICEFWKTJ-UHFFFAOYSA-N 2 2 350.496 0.781 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2nn[nH]n2)cs1 ZINC001609283810 1289046698 /nfs/dbraw/zinc/04/66/98/1289046698.db2.gz QDJKUTICEFWKTJ-UHFFFAOYSA-N 2 2 350.496 0.781 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001704752868 1286294461 /nfs/dbraw/zinc/29/44/61/1286294461.db2.gz YPOJATVIYHWGKP-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001707159065 1286481929 /nfs/dbraw/zinc/48/19/29/1286481929.db2.gz VAUFBOXWQGDTLF-VNHYZAJKSA-N 2 2 365.478 0.830 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860357 1287801043 /nfs/dbraw/zinc/80/10/43/1287801043.db2.gz HTBVVXPEGGSHJR-DOMZBBRYSA-N 2 2 356.434 0.393 20 0 FCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604860357 1287801046 /nfs/dbraw/zinc/80/10/46/1287801046.db2.gz HTBVVXPEGGSHJR-DOMZBBRYSA-N 2 2 356.434 0.393 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001604861333 1287801942 /nfs/dbraw/zinc/80/19/42/1287801942.db2.gz YZAHYXJPMUDHOH-OAHLLOKOSA-N 2 2 370.461 0.619 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001604861333 1287801944 /nfs/dbraw/zinc/80/19/44/1287801944.db2.gz YZAHYXJPMUDHOH-OAHLLOKOSA-N 2 2 370.461 0.619 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001733255375 1288605872 /nfs/dbraw/zinc/60/58/72/1288605872.db2.gz ADSUHDWRGNPBGO-RRFJBIMHSA-N 2 2 358.446 0.020 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001692087092 1289393797 /nfs/dbraw/zinc/39/37/97/1289393797.db2.gz YPAXYFCFUJYENT-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001692087092 1289393807 /nfs/dbraw/zinc/39/38/07/1289393807.db2.gz YPAXYFCFUJYENT-SJORKVTESA-N 2 2 361.490 0.922 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001692175750 1289414673 /nfs/dbraw/zinc/41/46/73/1289414673.db2.gz FFVSFBDXNMTGLE-VYDXJSESSA-N 2 2 361.490 0.893 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001692175750 1289414676 /nfs/dbraw/zinc/41/46/76/1289414676.db2.gz FFVSFBDXNMTGLE-VYDXJSESSA-N 2 2 361.490 0.893 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001692191333 1289424318 /nfs/dbraw/zinc/42/43/18/1289424318.db2.gz QJXKNGFXIBRUIY-QLFBSQMISA-N 2 2 367.494 0.286 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001692191333 1289424324 /nfs/dbraw/zinc/42/43/24/1289424324.db2.gz QJXKNGFXIBRUIY-QLFBSQMISA-N 2 2 367.494 0.286 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001692191333 1289424330 /nfs/dbraw/zinc/42/43/30/1289424330.db2.gz QJXKNGFXIBRUIY-QLFBSQMISA-N 2 2 367.494 0.286 20 0 FCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001692191333 1289424335 /nfs/dbraw/zinc/42/43/35/1289424335.db2.gz QJXKNGFXIBRUIY-QLFBSQMISA-N 2 2 367.494 0.286 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001692359654 1289451493 /nfs/dbraw/zinc/45/14/93/1289451493.db2.gz XXVMFMKFWBMBMD-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001692359654 1289451497 /nfs/dbraw/zinc/45/14/97/1289451497.db2.gz XXVMFMKFWBMBMD-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001692359654 1289451501 /nfs/dbraw/zinc/45/15/01/1289451501.db2.gz XXVMFMKFWBMBMD-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001692359654 1289451503 /nfs/dbraw/zinc/45/15/03/1289451503.db2.gz XXVMFMKFWBMBMD-ILXRZTDVSA-N 2 2 367.494 0.284 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCS(C)(=O)=O ZINC001692368099 1289454089 /nfs/dbraw/zinc/45/40/89/1289454089.db2.gz HMPRIARCQIGWMX-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1CCCS(C)(=O)=O ZINC001692368099 1289454091 /nfs/dbraw/zinc/45/40/91/1289454091.db2.gz HMPRIARCQIGWMX-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001692368099 1289454093 /nfs/dbraw/zinc/45/40/93/1289454093.db2.gz HMPRIARCQIGWMX-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1CCCS(C)(=O)=O ZINC001692368099 1289454097 /nfs/dbraw/zinc/45/40/97/1289454097.db2.gz HMPRIARCQIGWMX-OAGGEKHMSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC001692368163 1289454793 /nfs/dbraw/zinc/45/47/93/1289454793.db2.gz IVHNUTJGSNGIFU-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC001692368163 1289454797 /nfs/dbraw/zinc/45/47/97/1289454797.db2.gz IVHNUTJGSNGIFU-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@@H]1CCCO1 ZINC001692368163 1289454802 /nfs/dbraw/zinc/45/48/02/1289454802.db2.gz IVHNUTJGSNGIFU-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@@H]1CCCO1 ZINC001692368163 1289454807 /nfs/dbraw/zinc/45/48/07/1289454807.db2.gz IVHNUTJGSNGIFU-PVAVHDDUSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001699372077 1289552756 /nfs/dbraw/zinc/55/27/56/1289552756.db2.gz NFEJQRXSYFHKES-XYPHTWIQSA-N 2 2 366.462 0.457 20 0 FCADLP CC(C)n1ccc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699899210 1289573962 /nfs/dbraw/zinc/57/39/62/1289573962.db2.gz VGRGEKYFZHUFTG-SUMDDJOVSA-N 2 2 363.506 0.857 20 0 FCADLP CC(C)n1ccc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699899210 1289573970 /nfs/dbraw/zinc/57/39/70/1289573970.db2.gz VGRGEKYFZHUFTG-SUMDDJOVSA-N 2 2 363.506 0.857 20 0 FCADLP CC(C)n1ccc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001699899210 1289573976 /nfs/dbraw/zinc/57/39/76/1289573976.db2.gz VGRGEKYFZHUFTG-SUMDDJOVSA-N 2 2 363.506 0.857 20 0 FCADLP CC(C)n1ccc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001699899210 1289573981 /nfs/dbraw/zinc/57/39/81/1289573981.db2.gz VGRGEKYFZHUFTG-SUMDDJOVSA-N 2 2 363.506 0.857 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)CC[N@@H+]1C ZINC001738761015 1289723286 /nfs/dbraw/zinc/72/32/86/1289723286.db2.gz HTOKICJLHJZXLE-IIAWOOMASA-N 2 2 359.474 0.551 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)CC[N@H+]1C ZINC001738761015 1289723292 /nfs/dbraw/zinc/72/32/92/1289723292.db2.gz HTOKICJLHJZXLE-IIAWOOMASA-N 2 2 359.474 0.551 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001738778858 1289728283 /nfs/dbraw/zinc/72/82/83/1289728283.db2.gz HBCIYPQZLISDBC-HUUCEWRRSA-N 2 2 359.474 0.630 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001702126874 1289731785 /nfs/dbraw/zinc/73/17/85/1289731785.db2.gz XNGPEQZWXBCCJH-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001702126874 1289731795 /nfs/dbraw/zinc/73/17/95/1289731795.db2.gz XNGPEQZWXBCCJH-GVDBMIGSSA-N 2 2 359.474 0.817 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)n1 ZINC001752484503 1290612576 /nfs/dbraw/zinc/61/25/76/1290612576.db2.gz LZIRLTSAGZJTBH-ZACQAIPSSA-N 2 2 371.489 0.917 20 0 FCADLP CC(C)N1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001754396615 1290629062 /nfs/dbraw/zinc/62/90/62/1290629062.db2.gz VBIWZNFNBKHVBQ-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371824 1290879669 /nfs/dbraw/zinc/87/96/69/1290879669.db2.gz LXAUQKOUMHDBND-WBVHZDCISA-N 2 2 365.499 0.459 20 0 FCADLP O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001643371824 1290879683 /nfs/dbraw/zinc/87/96/83/1290879683.db2.gz LXAUQKOUMHDBND-WBVHZDCISA-N 2 2 365.499 0.459 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001762624629 1290881465 /nfs/dbraw/zinc/88/14/65/1290881465.db2.gz AXAQMSCXKRIEAG-WBVHZDCISA-N 2 2 364.494 0.076 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001762624629 1290881479 /nfs/dbraw/zinc/88/14/79/1290881479.db2.gz AXAQMSCXKRIEAG-WBVHZDCISA-N 2 2 364.494 0.076 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001656843200 1291568366 /nfs/dbraw/zinc/56/83/66/1291568366.db2.gz PBXVFSBGGFMWTB-XHSDSOJGSA-N 2 2 361.490 0.956 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001656843200 1291568371 /nfs/dbraw/zinc/56/83/71/1291568371.db2.gz PBXVFSBGGFMWTB-XHSDSOJGSA-N 2 2 361.490 0.956 20 0 FCADLP CCN(C)C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001671428794 1292038498 /nfs/dbraw/zinc/03/84/98/1292038498.db2.gz MABQOMKWAYKTFV-HUUCEWRRSA-N 2 2 361.490 0.973 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001684712505 1292316903 /nfs/dbraw/zinc/31/69/03/1292316903.db2.gz PBXYCZKLSWAUSY-NXHRZFHOSA-N 2 2 366.506 0.650 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001684712505 1292316911 /nfs/dbraw/zinc/31/69/11/1292316911.db2.gz PBXYCZKLSWAUSY-NXHRZFHOSA-N 2 2 366.506 0.650 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C[NH2+]CC(=O)NC ZINC001689069562 1294591866 /nfs/dbraw/zinc/59/18/66/1294591866.db2.gz KIZADCHDCYHHGB-HZPDHXFCSA-N 2 2 362.474 0.820 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001689091411 1294610691 /nfs/dbraw/zinc/61/06/91/1294610691.db2.gz BFHYSKVHBODMBQ-LXTVHRRPSA-N 2 2 368.503 0.775 20 0 FCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)n1 ZINC001689229877 1294685432 /nfs/dbraw/zinc/68/54/32/1294685432.db2.gz DYQNFBALWCKWME-KGLIPLIRSA-N 2 2 350.467 0.368 20 0 FCADLP CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)n1 ZINC001689229877 1294685438 /nfs/dbraw/zinc/68/54/38/1294685438.db2.gz DYQNFBALWCKWME-KGLIPLIRSA-N 2 2 350.467 0.368 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001689307464 1294733010 /nfs/dbraw/zinc/73/30/10/1294733010.db2.gz DNZDGXYFSOCIQT-OAGGEKHMSA-N 2 2 360.462 0.189 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC001689307464 1294733021 /nfs/dbraw/zinc/73/30/21/1294733021.db2.gz DNZDGXYFSOCIQT-OAGGEKHMSA-N 2 2 360.462 0.189 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001689312825 1294738845 /nfs/dbraw/zinc/73/88/45/1294738845.db2.gz MPLCCJUCTHMEOO-CABCVRRESA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001689312825 1294738852 /nfs/dbraw/zinc/73/88/52/1294738852.db2.gz MPLCCJUCTHMEOO-CABCVRRESA-N 2 2 371.547 0.732 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C)CCN1C(=O)CCC1=O ZINC001689844311 1294845988 /nfs/dbraw/zinc/84/59/88/1294845988.db2.gz YGLPPOVDAZUGED-ZIAGYGMSSA-N 2 2 361.446 0.111 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C)CCN1C(=O)CCC1=O ZINC001689844311 1294846001 /nfs/dbraw/zinc/84/60/01/1294846001.db2.gz YGLPPOVDAZUGED-ZIAGYGMSSA-N 2 2 361.446 0.111 20 0 FCADLP CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691649242 1294899959 /nfs/dbraw/zinc/89/99/59/1294899959.db2.gz IUHIHDLFVZAWIF-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691649242 1294899966 /nfs/dbraw/zinc/89/99/66/1294899966.db2.gz IUHIHDLFVZAWIF-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C[NH2+]C[C@H](C)O ZINC001691753338 1294914919 /nfs/dbraw/zinc/91/49/19/1294914919.db2.gz WAAYURSVADZBAX-YSVLISHTSA-N 2 2 351.447 0.467 20 0 FCADLP Cc1noc([C@]23COC[C@@H]2CN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)n1 ZINC001164800816 720058591 /nfs/dbraw/zinc/05/85/91/720058591.db2.gz FACTXGFULPZBDI-HNAYVOBHSA-N 2 2 370.457 0.929 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001165010706 721697970 /nfs/dbraw/zinc/69/79/70/721697970.db2.gz WUDKXLNXJWQVJL-UHFFFAOYSA-N 2 2 356.478 0.964 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001165010706 721697975 /nfs/dbraw/zinc/69/79/75/721697975.db2.gz WUDKXLNXJWQVJL-UHFFFAOYSA-N 2 2 356.478 0.964 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001165010071 721708725 /nfs/dbraw/zinc/70/87/25/721708725.db2.gz YLHSLEYDYTULJD-UHFFFAOYSA-N 2 2 356.478 0.964 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001165010071 721708730 /nfs/dbraw/zinc/70/87/30/721708730.db2.gz YLHSLEYDYTULJD-UHFFFAOYSA-N 2 2 356.478 0.964 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001070060302 837611465 /nfs/dbraw/zinc/61/14/65/837611465.db2.gz OXOMNTDLPXODBJ-CVEARBPZSA-N 2 2 352.458 0.711 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001070060302 837611468 /nfs/dbraw/zinc/61/14/68/837611468.db2.gz OXOMNTDLPXODBJ-CVEARBPZSA-N 2 2 352.458 0.711 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000747469674 836245067 /nfs/dbraw/zinc/24/50/67/836245067.db2.gz HUMUENCRQSJNQK-WMLDXEAASA-N 2 2 356.467 0.334 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@](C)(COC)C2=O)C1 ZINC000747469674 836245077 /nfs/dbraw/zinc/24/50/77/836245077.db2.gz HUMUENCRQSJNQK-WMLDXEAASA-N 2 2 356.467 0.334 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000749829440 836388948 /nfs/dbraw/zinc/38/89/48/836388948.db2.gz QQUZFVCKFDKMCN-INIZCTEOSA-N 2 2 356.536 0.237 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486969 844207245 /nfs/dbraw/zinc/20/72/45/844207245.db2.gz HVIMPEJHWWKBET-RYRKJORJSA-N 2 2 350.463 0.451 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101486969 844207253 /nfs/dbraw/zinc/20/72/53/844207253.db2.gz HVIMPEJHWWKBET-RYRKJORJSA-N 2 2 350.463 0.451 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncs4)C[C@H]32)C1 ZINC001076594915 838026116 /nfs/dbraw/zinc/02/61/16/838026116.db2.gz XSJLHTMWUMVINC-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncs4)C[C@H]32)C1 ZINC001076594915 838026120 /nfs/dbraw/zinc/02/61/20/838026120.db2.gz XSJLHTMWUMVINC-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cncs4)C[C@H]32)C1 ZINC001076594915 838026126 /nfs/dbraw/zinc/02/61/26/838026126.db2.gz XSJLHTMWUMVINC-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cncs4)C[C@H]32)C1 ZINC001076594915 838026132 /nfs/dbraw/zinc/02/61/32/838026132.db2.gz XSJLHTMWUMVINC-IMJJTQAJSA-N 2 2 350.488 0.897 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001077003078 838209023 /nfs/dbraw/zinc/20/90/23/838209023.db2.gz RJGATJYLFOMBEZ-ARFHVFGLSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC001077003078 838209033 /nfs/dbraw/zinc/20/90/33/838209033.db2.gz RJGATJYLFOMBEZ-ARFHVFGLSA-N 2 2 350.488 0.455 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)n1 ZINC001077014451 838217195 /nfs/dbraw/zinc/21/71/95/838217195.db2.gz XPMLZECQBDHVAZ-CHWSQXEVSA-N 2 2 363.384 0.172 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)n1 ZINC001077014451 838217209 /nfs/dbraw/zinc/21/72/09/838217209.db2.gz XPMLZECQBDHVAZ-CHWSQXEVSA-N 2 2 363.384 0.172 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928026 844332574 /nfs/dbraw/zinc/33/25/74/844332574.db2.gz RYASRMRDSTVAJT-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928026 844332586 /nfs/dbraw/zinc/33/25/86/844332586.db2.gz RYASRMRDSTVAJT-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127808 838751368 /nfs/dbraw/zinc/75/13/68/838751368.db2.gz JGBAJFROEDCEJD-BZUAXINKSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127808 838751371 /nfs/dbraw/zinc/75/13/71/838751371.db2.gz JGBAJFROEDCEJD-BZUAXINKSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127808 838751373 /nfs/dbraw/zinc/75/13/73/838751373.db2.gz JGBAJFROEDCEJD-BZUAXINKSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127808 838751377 /nfs/dbraw/zinc/75/13/77/838751377.db2.gz JGBAJFROEDCEJD-BZUAXINKSA-N 2 2 350.463 0.622 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132022 838758258 /nfs/dbraw/zinc/75/82/58/838758258.db2.gz PFWWGSSUVCOEPN-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132022 838758261 /nfs/dbraw/zinc/75/82/61/838758261.db2.gz PFWWGSSUVCOEPN-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132022 838758264 /nfs/dbraw/zinc/75/82/64/838758264.db2.gz PFWWGSSUVCOEPN-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132022 838758266 /nfs/dbraw/zinc/75/82/66/838758266.db2.gz PFWWGSSUVCOEPN-GVDBMIGSSA-N 2 2 350.463 0.907 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)no1 ZINC001077275052 838867447 /nfs/dbraw/zinc/86/74/47/838867447.db2.gz PHMPVDAASOQLDU-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2O)no1 ZINC001077275052 838867460 /nfs/dbraw/zinc/86/74/60/838867460.db2.gz PHMPVDAASOQLDU-APHBMKBZSA-N 2 2 352.435 0.080 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299639 838887310 /nfs/dbraw/zinc/88/73/10/838887310.db2.gz LFQPKGPUFDEYJS-ZIAGYGMSSA-N 2 2 350.488 0.741 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299639 838887321 /nfs/dbraw/zinc/88/73/21/838887321.db2.gz LFQPKGPUFDEYJS-ZIAGYGMSSA-N 2 2 350.488 0.741 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001077505043 839002522 /nfs/dbraw/zinc/00/25/22/839002522.db2.gz LNEPKWLFAIKOPS-MCIONIFRSA-N 2 2 361.433 0.446 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O)[NH+]1CCCC1 ZINC001077505043 839002534 /nfs/dbraw/zinc/00/25/34/839002534.db2.gz LNEPKWLFAIKOPS-MCIONIFRSA-N 2 2 361.433 0.446 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077677139 839105110 /nfs/dbraw/zinc/10/51/10/839105110.db2.gz ZOOIKKFJFYYZHI-IUIKQTSFSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077677139 839105123 /nfs/dbraw/zinc/10/51/23/839105123.db2.gz ZOOIKKFJFYYZHI-IUIKQTSFSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077677139 839105132 /nfs/dbraw/zinc/10/51/32/839105132.db2.gz ZOOIKKFJFYYZHI-IUIKQTSFSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077677139 839105141 /nfs/dbraw/zinc/10/51/41/839105141.db2.gz ZOOIKKFJFYYZHI-IUIKQTSFSA-N 2 2 352.504 0.906 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685338 839112173 /nfs/dbraw/zinc/11/21/73/839112173.db2.gz LMLZUFGEKZFZAF-MGPQQGTHSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685338 839112178 /nfs/dbraw/zinc/11/21/78/839112178.db2.gz LMLZUFGEKZFZAF-MGPQQGTHSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685338 839112184 /nfs/dbraw/zinc/11/21/84/839112184.db2.gz LMLZUFGEKZFZAF-MGPQQGTHSA-N 2 2 361.433 0.304 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@H]2O)C1 ZINC001077685338 839112191 /nfs/dbraw/zinc/11/21/91/839112191.db2.gz LMLZUFGEKZFZAF-MGPQQGTHSA-N 2 2 361.433 0.304 20 0 FCADLP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685239 839112581 /nfs/dbraw/zinc/11/25/81/839112581.db2.gz GGZSJSAYAOAXDL-APHBMKBZSA-N 2 2 354.426 0.793 20 0 FCADLP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685239 839112588 /nfs/dbraw/zinc/11/25/88/839112588.db2.gz GGZSJSAYAOAXDL-APHBMKBZSA-N 2 2 354.426 0.793 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077762006 839142223 /nfs/dbraw/zinc/14/22/23/839142223.db2.gz DBBDNGKMVYRXNE-BZUAXINKSA-N 2 2 350.463 0.737 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077762006 839142227 /nfs/dbraw/zinc/14/22/27/839142227.db2.gz DBBDNGKMVYRXNE-BZUAXINKSA-N 2 2 350.463 0.737 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001102104092 844416237 /nfs/dbraw/zinc/41/62/37/844416237.db2.gz FTJJBBINAUMFRN-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001102104092 844416240 /nfs/dbraw/zinc/41/62/40/844416240.db2.gz FTJJBBINAUMFRN-OWCLPIDISA-N 2 2 350.463 0.139 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001078009504 839290321 /nfs/dbraw/zinc/29/03/21/839290321.db2.gz DUXNCCIYFUITRR-BRWVUGGUSA-N 2 2 350.463 0.065 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001078009504 839290340 /nfs/dbraw/zinc/29/03/40/839290340.db2.gz DUXNCCIYFUITRR-BRWVUGGUSA-N 2 2 350.463 0.065 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001078174435 839379246 /nfs/dbraw/zinc/37/92/46/839379246.db2.gz LGQXBVVVZIZGPH-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001078174435 839379256 /nfs/dbraw/zinc/37/92/56/839379256.db2.gz LGQXBVVVZIZGPH-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001078174435 839379268 /nfs/dbraw/zinc/37/92/68/839379268.db2.gz LGQXBVVVZIZGPH-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001078174435 839379280 /nfs/dbraw/zinc/37/92/80/839379280.db2.gz LGQXBVVVZIZGPH-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001078179918 839383779 /nfs/dbraw/zinc/38/37/79/839383779.db2.gz DEOAPONKGASNME-IAGOWNOFSA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001078179918 839383790 /nfs/dbraw/zinc/38/37/90/839383790.db2.gz DEOAPONKGASNME-IAGOWNOFSA-N 2 2 351.422 0.462 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001078178839 839384660 /nfs/dbraw/zinc/38/46/60/839384660.db2.gz FZMHWKXWGNXGLQ-BRWVUGGUSA-N 2 2 367.877 0.631 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001078178839 839384671 /nfs/dbraw/zinc/38/46/71/839384671.db2.gz FZMHWKXWGNXGLQ-BRWVUGGUSA-N 2 2 367.877 0.631 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001078180271 839384988 /nfs/dbraw/zinc/38/49/88/839384988.db2.gz VLKZEMSRNNXIFG-BRWVUGGUSA-N 2 2 351.422 0.116 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001078180271 839385001 /nfs/dbraw/zinc/38/50/01/839385001.db2.gz VLKZEMSRNNXIFG-BRWVUGGUSA-N 2 2 351.422 0.116 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209979 839405662 /nfs/dbraw/zinc/40/56/62/839405662.db2.gz PYMBMCYPGJBPAP-KFWWJZLASA-N 2 2 368.503 0.142 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209979 839405670 /nfs/dbraw/zinc/40/56/70/839405670.db2.gz PYMBMCYPGJBPAP-KFWWJZLASA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209979 839405678 /nfs/dbraw/zinc/40/56/78/839405678.db2.gz PYMBMCYPGJBPAP-KFWWJZLASA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@H]2O)C1 ZINC001078209979 839405683 /nfs/dbraw/zinc/40/56/83/839405683.db2.gz PYMBMCYPGJBPAP-KFWWJZLASA-N 2 2 368.503 0.142 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079968576 839635141 /nfs/dbraw/zinc/63/51/41/839635141.db2.gz GYNARXKEVSUCCW-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079968576 839635145 /nfs/dbraw/zinc/63/51/45/839635145.db2.gz GYNARXKEVSUCCW-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079968576 839635150 /nfs/dbraw/zinc/63/51/50/839635150.db2.gz GYNARXKEVSUCCW-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079968576 839635156 /nfs/dbraw/zinc/63/51/56/839635156.db2.gz GYNARXKEVSUCCW-OIISXLGYSA-N 2 2 350.507 0.966 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001080139141 839673107 /nfs/dbraw/zinc/67/31/07/839673107.db2.gz TYEOIIGEQNFGNJ-IUODEOHRSA-N 2 2 363.487 0.860 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001080139141 839673115 /nfs/dbraw/zinc/67/31/15/839673115.db2.gz TYEOIIGEQNFGNJ-IUODEOHRSA-N 2 2 363.487 0.860 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552750 839745083 /nfs/dbraw/zinc/74/50/83/839745083.db2.gz IPZLJBDVTFSZJW-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552750 839745099 /nfs/dbraw/zinc/74/50/99/839745099.db2.gz IPZLJBDVTFSZJW-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552750 839745109 /nfs/dbraw/zinc/74/51/09/839745109.db2.gz IPZLJBDVTFSZJW-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001080552750 839745118 /nfs/dbraw/zinc/74/51/18/839745118.db2.gz IPZLJBDVTFSZJW-ZACQAIPSSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557459 839747177 /nfs/dbraw/zinc/74/71/77/839747177.db2.gz VRUDKPKCVGGFOT-OIISXLGYSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557459 839747182 /nfs/dbraw/zinc/74/71/82/839747182.db2.gz VRUDKPKCVGGFOT-OIISXLGYSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557459 839747193 /nfs/dbraw/zinc/74/71/93/839747193.db2.gz VRUDKPKCVGGFOT-OIISXLGYSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001080557459 839747200 /nfs/dbraw/zinc/74/72/00/839747200.db2.gz VRUDKPKCVGGFOT-OIISXLGYSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782223 839799295 /nfs/dbraw/zinc/79/92/95/839799295.db2.gz AOVVTRPUVYEKII-IJEWVQPXSA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782223 839799302 /nfs/dbraw/zinc/79/93/02/839799302.db2.gz AOVVTRPUVYEKII-IJEWVQPXSA-N 2 2 368.503 0.224 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@H](OC)C2)o1 ZINC001081446048 839931700 /nfs/dbraw/zinc/93/17/00/839931700.db2.gz MWRAUNOLORSCSY-IIAWOOMASA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCC[NH+]3C)[C@H](OC)C2)o1 ZINC001081446048 839931705 /nfs/dbraw/zinc/93/17/05/839931705.db2.gz MWRAUNOLORSCSY-IIAWOOMASA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@H](OC)C2)o1 ZINC001081446048 839931709 /nfs/dbraw/zinc/93/17/09/839931709.db2.gz MWRAUNOLORSCSY-IIAWOOMASA-N 2 2 350.463 0.955 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H](OC)C2)o1 ZINC001081446048 839931714 /nfs/dbraw/zinc/93/17/14/839931714.db2.gz MWRAUNOLORSCSY-IIAWOOMASA-N 2 2 350.463 0.955 20 0 FCADLP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446010 839932960 /nfs/dbraw/zinc/93/29/60/839932960.db2.gz KWRHLYZOCYURFX-QLFBSQMISA-N 2 2 351.451 0.220 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446010 839932970 /nfs/dbraw/zinc/93/29/70/839932970.db2.gz KWRHLYZOCYURFX-QLFBSQMISA-N 2 2 351.451 0.220 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081446010 839932977 /nfs/dbraw/zinc/93/29/77/839932977.db2.gz KWRHLYZOCYURFX-QLFBSQMISA-N 2 2 351.451 0.220 20 0 FCADLP CO[C@@H]1C[NH+](CCCc2nc(C)no2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081446010 839932981 /nfs/dbraw/zinc/93/29/81/839932981.db2.gz KWRHLYZOCYURFX-QLFBSQMISA-N 2 2 351.451 0.220 20 0 FCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102413975 844490205 /nfs/dbraw/zinc/49/02/05/844490205.db2.gz YOLKSRXIYMFEIM-QLFBSQMISA-N 2 2 356.492 0.563 20 0 FCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C)n1cc[nH+]c1 ZINC001102413975 844490210 /nfs/dbraw/zinc/49/02/10/844490210.db2.gz YOLKSRXIYMFEIM-QLFBSQMISA-N 2 2 356.492 0.563 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691663 840001516 /nfs/dbraw/zinc/00/15/16/840001516.db2.gz JIACRKYCGNVKCA-ODVANORSSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691663 840001518 /nfs/dbraw/zinc/00/15/18/840001518.db2.gz JIACRKYCGNVKCA-ODVANORSSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691663 840001519 /nfs/dbraw/zinc/00/15/19/840001519.db2.gz JIACRKYCGNVKCA-ODVANORSSA-N 2 2 350.463 0.893 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691663 840001521 /nfs/dbraw/zinc/00/15/21/840001521.db2.gz JIACRKYCGNVKCA-ODVANORSSA-N 2 2 350.463 0.893 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133568 840202641 /nfs/dbraw/zinc/20/26/41/840202641.db2.gz HOHRLAUWNYWTGS-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133568 840202653 /nfs/dbraw/zinc/20/26/53/840202653.db2.gz HOHRLAUWNYWTGS-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001082133568 840202663 /nfs/dbraw/zinc/20/26/63/840202663.db2.gz HOHRLAUWNYWTGS-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133568 840202673 /nfs/dbraw/zinc/20/26/73/840202673.db2.gz HOHRLAUWNYWTGS-FVQBIDKESA-N 2 2 369.897 0.836 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137981 840207794 /nfs/dbraw/zinc/20/77/94/840207794.db2.gz KECOSKMHERBFMK-RRFJBIMHSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137981 840207803 /nfs/dbraw/zinc/20/78/03/840207803.db2.gz KECOSKMHERBFMK-RRFJBIMHSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082137981 840207815 /nfs/dbraw/zinc/20/78/15/840207815.db2.gz KECOSKMHERBFMK-RRFJBIMHSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137981 840207828 /nfs/dbraw/zinc/20/78/28/840207828.db2.gz KECOSKMHERBFMK-RRFJBIMHSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482939 844520858 /nfs/dbraw/zinc/52/08/58/844520858.db2.gz PRRRVWDBUDEXFB-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482939 844520863 /nfs/dbraw/zinc/52/08/63/844520863.db2.gz PRRRVWDBUDEXFB-BZUAXINKSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486662 844522336 /nfs/dbraw/zinc/52/23/36/844522336.db2.gz PKZPKUDTWZBXQX-ZIAGYGMSSA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102486662 844522340 /nfs/dbraw/zinc/52/23/40/844522340.db2.gz PKZPKUDTWZBXQX-ZIAGYGMSSA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1C ZINC001102496405 844531026 /nfs/dbraw/zinc/53/10/26/844531026.db2.gz TUIQGKCBHFFWKJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1C ZINC001102496405 844531028 /nfs/dbraw/zinc/53/10/28/844531028.db2.gz TUIQGKCBHFFWKJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102496405 844531030 /nfs/dbraw/zinc/53/10/30/844531030.db2.gz TUIQGKCBHFFWKJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102496405 844531032 /nfs/dbraw/zinc/53/10/32/844531032.db2.gz TUIQGKCBHFFWKJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379450 840370250 /nfs/dbraw/zinc/37/02/50/840370250.db2.gz YDJVEDJIQRRHCP-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379450 840370258 /nfs/dbraw/zinc/37/02/58/840370258.db2.gz YDJVEDJIQRRHCP-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379450 840370268 /nfs/dbraw/zinc/37/02/68/840370268.db2.gz YDJVEDJIQRRHCP-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2OC)C1 ZINC001082379450 840370275 /nfs/dbraw/zinc/37/02/75/840370275.db2.gz YDJVEDJIQRRHCP-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082492429 840436161 /nfs/dbraw/zinc/43/61/61/840436161.db2.gz SVOSTIVZZRJXQT-HZSPNIEDSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]Cc1cnns1 ZINC001082608944 840491936 /nfs/dbraw/zinc/49/19/36/840491936.db2.gz IRUBLDLNYSCLQZ-QMTHXVAHSA-N 2 2 350.448 0.838 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082653378 840512627 /nfs/dbraw/zinc/51/26/27/840512627.db2.gz IBIPTYYYGNLSGI-VPSOLEHFSA-N 2 2 363.487 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082653378 840512634 /nfs/dbraw/zinc/51/26/34/840512634.db2.gz IBIPTYYYGNLSGI-VPSOLEHFSA-N 2 2 363.487 0.338 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082673622 840520035 /nfs/dbraw/zinc/52/00/35/840520035.db2.gz BWTRAAZQLKSMGK-QLFBSQMISA-N 2 2 354.476 0.144 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001082703342 840530442 /nfs/dbraw/zinc/53/04/42/840530442.db2.gz MTVIYLGHOLFPNA-MGPQQGTHSA-N 2 2 353.492 0.584 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001082703342 840530450 /nfs/dbraw/zinc/53/04/50/840530450.db2.gz MTVIYLGHOLFPNA-MGPQQGTHSA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001082766566 840548916 /nfs/dbraw/zinc/54/89/16/840548916.db2.gz GYRUDRUTAKBWEW-VNHYZAJKSA-N 2 2 354.476 0.214 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001082884214 840590807 /nfs/dbraw/zinc/59/08/07/840590807.db2.gz IMYPHDFPMUCNPZ-XNRPHZJLSA-N 2 2 368.503 0.522 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102531994 844556380 /nfs/dbraw/zinc/55/63/80/844556380.db2.gz OXQUPQQLOOUXBO-TZMCWYRMSA-N 2 2 356.492 0.379 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001102531994 844556388 /nfs/dbraw/zinc/55/63/88/844556388.db2.gz OXQUPQQLOOUXBO-TZMCWYRMSA-N 2 2 356.492 0.379 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001082934024 840613047 /nfs/dbraw/zinc/61/30/47/840613047.db2.gz UWXFGPWQMXCHKZ-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)s3)C2)C1 ZINC001082934024 840613050 /nfs/dbraw/zinc/61/30/50/840613050.db2.gz UWXFGPWQMXCHKZ-MRVWCRGKSA-N 2 2 353.492 0.504 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]21)[NH+](C)C ZINC001083119666 840727770 /nfs/dbraw/zinc/72/77/70/840727770.db2.gz FEOFYIFSLCBXNF-OWCLPIDISA-N 2 2 369.897 0.788 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]21)[NH+](C)C ZINC001083119666 840727779 /nfs/dbraw/zinc/72/77/79/840727779.db2.gz FEOFYIFSLCBXNF-OWCLPIDISA-N 2 2 369.897 0.788 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C/C=C\Cl)C[C@@H]32)cn1 ZINC001083221064 840809170 /nfs/dbraw/zinc/80/91/70/840809170.db2.gz JEQALAZZZYDBKG-MYIWKSEUSA-N 2 2 367.881 0.722 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](C/C=C\Cl)C[C@@H]32)cn1 ZINC001083221064 840809178 /nfs/dbraw/zinc/80/91/78/840809178.db2.gz JEQALAZZZYDBKG-MYIWKSEUSA-N 2 2 367.881 0.722 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372838 840945151 /nfs/dbraw/zinc/94/51/51/840945151.db2.gz HIJZHRPFPQWCSJ-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372838 840945161 /nfs/dbraw/zinc/94/51/61/840945161.db2.gz HIJZHRPFPQWCSJ-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372838 840945167 /nfs/dbraw/zinc/94/51/67/840945167.db2.gz HIJZHRPFPQWCSJ-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001083372838 840945174 /nfs/dbraw/zinc/94/51/74/840945174.db2.gz HIJZHRPFPQWCSJ-IKGGRYGDSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373125 840945437 /nfs/dbraw/zinc/94/54/37/840945437.db2.gz SQYVAUQJKSRULY-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373125 840945444 /nfs/dbraw/zinc/94/54/44/840945444.db2.gz SQYVAUQJKSRULY-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373125 840945450 /nfs/dbraw/zinc/94/54/50/840945450.db2.gz SQYVAUQJKSRULY-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@@H]1O ZINC001083373125 840945454 /nfs/dbraw/zinc/94/54/54/840945454.db2.gz SQYVAUQJKSRULY-ZACQAIPSSA-N 2 2 367.877 0.974 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102601273 844592602 /nfs/dbraw/zinc/59/26/02/844592602.db2.gz VCOMPLXVZGQJQL-ZIAGYGMSSA-N 2 2 352.483 0.660 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102601273 844592608 /nfs/dbraw/zinc/59/26/08/844592608.db2.gz VCOMPLXVZGQJQL-ZIAGYGMSSA-N 2 2 352.483 0.660 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102601273 844592612 /nfs/dbraw/zinc/59/26/12/844592612.db2.gz VCOMPLXVZGQJQL-ZIAGYGMSSA-N 2 2 352.483 0.660 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102601273 844592622 /nfs/dbraw/zinc/59/26/22/844592622.db2.gz VCOMPLXVZGQJQL-ZIAGYGMSSA-N 2 2 352.483 0.660 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102615819 844603458 /nfs/dbraw/zinc/60/34/58/844603458.db2.gz SABAQGHUKLCHKF-RBSFLKMASA-N 2 2 356.492 0.248 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1)CS(C)(=O)=O ZINC001102615819 844603460 /nfs/dbraw/zinc/60/34/60/844603460.db2.gz SABAQGHUKLCHKF-RBSFLKMASA-N 2 2 356.492 0.248 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524256 841123815 /nfs/dbraw/zinc/12/38/15/841123815.db2.gz OHZKTMPNFNSDCG-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524256 841123822 /nfs/dbraw/zinc/12/38/22/841123822.db2.gz OHZKTMPNFNSDCG-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524256 841123829 /nfs/dbraw/zinc/12/38/29/841123829.db2.gz OHZKTMPNFNSDCG-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H](O)C2)on1 ZINC001083524256 841123839 /nfs/dbraw/zinc/12/38/39/841123839.db2.gz OHZKTMPNFNSDCG-OIISXLGYSA-N 2 2 350.463 0.907 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583871 841199629 /nfs/dbraw/zinc/19/96/29/841199629.db2.gz VGWZQXUXPHUQDL-MCIONIFRSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001083583871 841199633 /nfs/dbraw/zinc/19/96/33/841199633.db2.gz VGWZQXUXPHUQDL-MCIONIFRSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583488 841199729 /nfs/dbraw/zinc/19/97/29/841199729.db2.gz IJOKRJFGCIBLGP-XYPHTWIQSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583488 841199730 /nfs/dbraw/zinc/19/97/30/841199730.db2.gz IJOKRJFGCIBLGP-XYPHTWIQSA-N 2 2 360.483 0.911 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719830 841354183 /nfs/dbraw/zinc/35/41/83/841354183.db2.gz YNLJLRNNOAOMLN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719830 841354196 /nfs/dbraw/zinc/35/41/96/841354196.db2.gz YNLJLRNNOAOMLN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719830 841354210 /nfs/dbraw/zinc/35/42/10/841354210.db2.gz YNLJLRNNOAOMLN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)C1 ZINC001083719830 841354219 /nfs/dbraw/zinc/35/42/19/841354219.db2.gz YNLJLRNNOAOMLN-OIISXLGYSA-N 2 2 350.463 0.766 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780996 841427683 /nfs/dbraw/zinc/42/76/83/841427683.db2.gz QXHBUEMVZUVHTB-MAZHCROVSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780996 841427689 /nfs/dbraw/zinc/42/76/89/841427689.db2.gz QXHBUEMVZUVHTB-MAZHCROVSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780996 841427695 /nfs/dbraw/zinc/42/76/95/841427695.db2.gz QXHBUEMVZUVHTB-MAZHCROVSA-N 2 2 352.504 0.497 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@@H](O)C2)cs1 ZINC001083780996 841427700 /nfs/dbraw/zinc/42/77/00/841427700.db2.gz QXHBUEMVZUVHTB-MAZHCROVSA-N 2 2 352.504 0.497 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083789429 841440687 /nfs/dbraw/zinc/44/06/87/841440687.db2.gz AUUIGFFPMUYNNY-BHPKHCPMSA-N 2 2 354.401 0.730 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083789429 841440695 /nfs/dbraw/zinc/44/06/95/841440695.db2.gz AUUIGFFPMUYNNY-BHPKHCPMSA-N 2 2 354.401 0.730 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908782 841556608 /nfs/dbraw/zinc/55/66/08/841556608.db2.gz WQEOEBRASYFIQG-CVEARBPZSA-N 2 2 350.463 0.765 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908782 841556618 /nfs/dbraw/zinc/55/66/18/841556618.db2.gz WQEOEBRASYFIQG-CVEARBPZSA-N 2 2 350.463 0.765 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078189 841687934 /nfs/dbraw/zinc/68/79/34/841687934.db2.gz PYMBMCYPGJBPAP-ILXRZTDVSA-N 2 2 368.503 0.142 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078189 841687943 /nfs/dbraw/zinc/68/79/43/841687943.db2.gz PYMBMCYPGJBPAP-ILXRZTDVSA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078189 841687948 /nfs/dbraw/zinc/68/79/48/841687948.db2.gz PYMBMCYPGJBPAP-ILXRZTDVSA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078189 841687954 /nfs/dbraw/zinc/68/79/54/841687954.db2.gz PYMBMCYPGJBPAP-ILXRZTDVSA-N 2 2 368.503 0.142 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CCC1 ZINC001084403953 841788081 /nfs/dbraw/zinc/78/80/81/841788081.db2.gz KTHGBWFCHAJOMP-ARFHVFGLSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCS(=O)(=O)C4)C[C@H]32)CCC1 ZINC001084403953 841788084 /nfs/dbraw/zinc/78/80/84/841788084.db2.gz KTHGBWFCHAJOMP-ARFHVFGLSA-N 2 2 369.531 0.438 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572146 841832376 /nfs/dbraw/zinc/83/23/76/841832376.db2.gz XTNQJKPHDPTOOW-ARFHVFGLSA-N 2 2 350.507 0.870 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572146 841832389 /nfs/dbraw/zinc/83/23/89/841832389.db2.gz XTNQJKPHDPTOOW-ARFHVFGLSA-N 2 2 350.507 0.870 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001085159104 842029348 /nfs/dbraw/zinc/02/93/48/842029348.db2.gz IBSXTJVFCBJNKK-BZUAXINKSA-N 2 2 350.467 0.146 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001085159104 842029360 /nfs/dbraw/zinc/02/93/60/842029360.db2.gz IBSXTJVFCBJNKK-BZUAXINKSA-N 2 2 350.467 0.146 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001085345812 842080734 /nfs/dbraw/zinc/08/07/34/842080734.db2.gz RDGQLRQCOAANNF-HUUCEWRRSA-N 2 2 369.491 0.005 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)o2)C1 ZINC001085429083 842101481 /nfs/dbraw/zinc/10/14/81/842101481.db2.gz GHOQGFAOCBKHDB-KFWWJZLASA-N 2 2 351.451 0.616 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)o2)C1 ZINC001085429083 842101490 /nfs/dbraw/zinc/10/14/90/842101490.db2.gz GHOQGFAOCBKHDB-KFWWJZLASA-N 2 2 351.451 0.616 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085429016 842102037 /nfs/dbraw/zinc/10/20/37/842102037.db2.gz CHDCWTOCITURHE-RBSFLKMASA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncn2C)C1 ZINC001085429016 842102046 /nfs/dbraw/zinc/10/20/46/842102046.db2.gz CHDCWTOCITURHE-RBSFLKMASA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085429589 842103863 /nfs/dbraw/zinc/10/38/63/842103863.db2.gz YNCICQSNHTYJFR-BZUAXINKSA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn(C)nn2)C1 ZINC001085429589 842103868 /nfs/dbraw/zinc/10/38/68/842103868.db2.gz YNCICQSNHTYJFR-BZUAXINKSA-N 2 2 350.467 0.053 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001085605033 842107707 /nfs/dbraw/zinc/10/77/07/842107707.db2.gz YRYSUNKOMUWYNY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC(=O)N2CCCCC2)CC[N@H+]1C ZINC001085605033 842107711 /nfs/dbraw/zinc/10/77/11/842107711.db2.gz YRYSUNKOMUWYNY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001085605033 842107713 /nfs/dbraw/zinc/10/77/13/842107713.db2.gz YRYSUNKOMUWYNY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N2CCCCC2)CC[NH+]1C ZINC001085605033 842107714 /nfs/dbraw/zinc/10/77/14/842107714.db2.gz YRYSUNKOMUWYNY-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086400641 842131235 /nfs/dbraw/zinc/13/12/35/842131235.db2.gz QGYCBZRGNPUGHU-FTQJZPFOSA-N 2 2 353.492 0.803 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086400641 842131237 /nfs/dbraw/zinc/13/12/37/842131237.db2.gz QGYCBZRGNPUGHU-FTQJZPFOSA-N 2 2 353.492 0.803 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400740 842131254 /nfs/dbraw/zinc/13/12/54/842131254.db2.gz VHJARWITMCKJLU-OBRUSBNWSA-N 2 2 350.467 0.378 20 0 FCADLP Cc1nnc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086400740 842131255 /nfs/dbraw/zinc/13/12/55/842131255.db2.gz VHJARWITMCKJLU-OBRUSBNWSA-N 2 2 350.467 0.378 20 0 FCADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665363 842145862 /nfs/dbraw/zinc/14/58/62/842145862.db2.gz CSOUUVWQQZXZSH-ZENOOKHLSA-N 2 2 369.897 0.779 20 0 FCADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665363 842145867 /nfs/dbraw/zinc/14/58/67/842145867.db2.gz CSOUUVWQQZXZSH-ZENOOKHLSA-N 2 2 369.897 0.779 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC001086880933 842190928 /nfs/dbraw/zinc/19/09/28/842190928.db2.gz VVMNCNBMMMTBRY-RRFJBIMHSA-N 2 2 351.451 0.473 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC001086880933 842190933 /nfs/dbraw/zinc/19/09/33/842190933.db2.gz VVMNCNBMMMTBRY-RRFJBIMHSA-N 2 2 351.451 0.473 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC001086880657 842191245 /nfs/dbraw/zinc/19/12/45/842191245.db2.gz JHRWHFWBAYPHJN-GUTXKFCHSA-N 2 2 353.492 0.633 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC001086880657 842191252 /nfs/dbraw/zinc/19/12/52/842191252.db2.gz JHRWHFWBAYPHJN-GUTXKFCHSA-N 2 2 353.492 0.633 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001087093848 842283880 /nfs/dbraw/zinc/28/38/80/842283880.db2.gz GKGKYSBMBDUTBJ-DGCLKSJQSA-N 2 2 350.448 0.457 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC1CCOCC1 ZINC001087103872 842292509 /nfs/dbraw/zinc/29/25/09/842292509.db2.gz FPWQOVFXWRDLRP-IAGOWNOFSA-N 2 2 350.463 0.763 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001087829781 842442484 /nfs/dbraw/zinc/44/24/84/842442484.db2.gz VRLNHEJVIALVFX-IXDOHACOSA-N 2 2 371.547 0.876 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001087829781 842442496 /nfs/dbraw/zinc/44/24/96/842442496.db2.gz VRLNHEJVIALVFX-IXDOHACOSA-N 2 2 371.547 0.876 20 0 FCADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088053556 842517695 /nfs/dbraw/zinc/51/76/95/842517695.db2.gz NHZNJDKRSZPJAP-SQNIBIBYSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088053556 842517699 /nfs/dbraw/zinc/51/76/99/842517699.db2.gz NHZNJDKRSZPJAP-SQNIBIBYSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088053556 842517705 /nfs/dbraw/zinc/51/77/05/842517705.db2.gz NHZNJDKRSZPJAP-SQNIBIBYSA-N 2 2 351.491 0.260 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001088053556 842517708 /nfs/dbraw/zinc/51/77/08/842517708.db2.gz NHZNJDKRSZPJAP-SQNIBIBYSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088792083 842676678 /nfs/dbraw/zinc/67/66/78/842676678.db2.gz UFKBKYHEOPSQFW-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001088792083 842676682 /nfs/dbraw/zinc/67/66/82/842676682.db2.gz UFKBKYHEOPSQFW-OAGGEKHMSA-N 2 2 371.547 0.875 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041416 842750802 /nfs/dbraw/zinc/75/08/02/842750802.db2.gz VADOORLIHNVNGQ-BMFZPTHFSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041416 842750811 /nfs/dbraw/zinc/75/08/11/842750811.db2.gz VADOORLIHNVNGQ-BMFZPTHFSA-N 2 2 368.503 0.595 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092503705 843222732 /nfs/dbraw/zinc/22/27/32/843222732.db2.gz CHEZQRBPXMLCOT-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092503705 843222740 /nfs/dbraw/zinc/22/27/40/843222740.db2.gz CHEZQRBPXMLCOT-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092503705 843222748 /nfs/dbraw/zinc/22/27/48/843222748.db2.gz CHEZQRBPXMLCOT-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092503705 843222757 /nfs/dbraw/zinc/22/27/57/843222757.db2.gz CHEZQRBPXMLCOT-MGPQQGTHSA-N 2 2 350.467 0.414 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522662 843226903 /nfs/dbraw/zinc/22/69/03/843226903.db2.gz STIMKCNQKDVTAP-FRFSOERESA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522662 843226915 /nfs/dbraw/zinc/22/69/15/843226915.db2.gz STIMKCNQKDVTAP-FRFSOERESA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092522662 843226923 /nfs/dbraw/zinc/22/69/23/843226923.db2.gz STIMKCNQKDVTAP-FRFSOERESA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092522662 843226934 /nfs/dbraw/zinc/22/69/34/843226934.db2.gz STIMKCNQKDVTAP-FRFSOERESA-N 2 2 350.438 0.735 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092521920 843227897 /nfs/dbraw/zinc/22/78/97/843227897.db2.gz HUCFMCSRVKORLN-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)o1 ZINC001092521920 843227909 /nfs/dbraw/zinc/22/79/09/843227909.db2.gz HUCFMCSRVKORLN-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092521920 843227919 /nfs/dbraw/zinc/22/79/19/843227919.db2.gz HUCFMCSRVKORLN-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)o1 ZINC001092521920 843227932 /nfs/dbraw/zinc/22/79/32/843227932.db2.gz HUCFMCSRVKORLN-MCIONIFRSA-N 2 2 351.451 0.147 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524288 843229692 /nfs/dbraw/zinc/22/96/92/843229692.db2.gz VYFMZBITQRFPEN-XNRPHZJLSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524288 843229703 /nfs/dbraw/zinc/22/97/03/843229703.db2.gz VYFMZBITQRFPEN-XNRPHZJLSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524288 843229714 /nfs/dbraw/zinc/22/97/14/843229714.db2.gz VYFMZBITQRFPEN-XNRPHZJLSA-N 2 2 352.504 0.966 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](C)C2)cs1 ZINC001092524288 843229722 /nfs/dbraw/zinc/22/97/22/843229722.db2.gz VYFMZBITQRFPEN-XNRPHZJLSA-N 2 2 352.504 0.966 20 0 FCADLP COc1nscc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524414 843229950 /nfs/dbraw/zinc/22/99/50/843229950.db2.gz YHAQPNCDQAVGLU-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524414 843229961 /nfs/dbraw/zinc/22/99/61/843229961.db2.gz YHAQPNCDQAVGLU-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092524414 843229967 /nfs/dbraw/zinc/22/99/67/843229967.db2.gz YHAQPNCDQAVGLU-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092524414 843229977 /nfs/dbraw/zinc/22/99/77/843229977.db2.gz YHAQPNCDQAVGLU-NFAWXSAZSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524415 843230423 /nfs/dbraw/zinc/23/04/23/843230423.db2.gz YHAQPNCDQAVGLU-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092524415 843230433 /nfs/dbraw/zinc/23/04/33/843230433.db2.gz YHAQPNCDQAVGLU-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092524415 843230442 /nfs/dbraw/zinc/23/04/42/843230442.db2.gz YHAQPNCDQAVGLU-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP COc1nscc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092524415 843230452 /nfs/dbraw/zinc/23/04/52/843230452.db2.gz YHAQPNCDQAVGLU-UMVBOHGHSA-N 2 2 368.503 0.666 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092747686 843291870 /nfs/dbraw/zinc/29/18/70/843291870.db2.gz HEJHQQOXOVFDEM-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001092747686 843291881 /nfs/dbraw/zinc/29/18/81/843291881.db2.gz HEJHQQOXOVFDEM-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911351 843340483 /nfs/dbraw/zinc/34/04/83/843340483.db2.gz QHDNXJGTNYYKJD-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911351 843340495 /nfs/dbraw/zinc/34/04/95/843340495.db2.gz QHDNXJGTNYYKJD-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911351 843340505 /nfs/dbraw/zinc/34/05/05/843340505.db2.gz QHDNXJGTNYYKJD-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911351 843340514 /nfs/dbraw/zinc/34/05/14/843340514.db2.gz QHDNXJGTNYYKJD-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP COCOCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276312094 861406890 /nfs/dbraw/zinc/40/68/90/861406890.db2.gz ISLLFDFHKBIWEC-QGZVFWFLSA-N 2 2 352.435 0.197 20 0 FCADLP COCOCCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276312094 861406906 /nfs/dbraw/zinc/40/69/06/861406906.db2.gz ISLLFDFHKBIWEC-QGZVFWFLSA-N 2 2 352.435 0.197 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136866 843398551 /nfs/dbraw/zinc/39/85/51/843398551.db2.gz ARMJLOGHMRYOBE-ZIAGYGMSSA-N 2 2 368.503 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093136866 843398563 /nfs/dbraw/zinc/39/85/63/843398563.db2.gz ARMJLOGHMRYOBE-ZIAGYGMSSA-N 2 2 368.503 0.490 20 0 FCADLP CCOC(=O)CC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276318016 861412441 /nfs/dbraw/zinc/41/24/41/861412441.db2.gz RRKUMAXQERDHMH-QGZVFWFLSA-N 2 2 350.419 0.140 20 0 FCADLP CCOC(=O)CC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276318016 861412444 /nfs/dbraw/zinc/41/24/44/861412444.db2.gz RRKUMAXQERDHMH-QGZVFWFLSA-N 2 2 350.419 0.140 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691260 843457266 /nfs/dbraw/zinc/45/72/66/843457266.db2.gz NZROTAHXAOBOQG-MGPQQGTHSA-N 2 2 367.519 0.615 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)s1 ZINC001093691260 843457271 /nfs/dbraw/zinc/45/72/71/843457271.db2.gz NZROTAHXAOBOQG-MGPQQGTHSA-N 2 2 367.519 0.615 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001094074531 843508623 /nfs/dbraw/zinc/50/86/23/843508623.db2.gz GNLLNVYONPJCFW-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001094166886 843525394 /nfs/dbraw/zinc/52/53/94/843525394.db2.gz QUHMQHMPRJGSOJ-RBSFLKMASA-N 2 2 368.503 0.081 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001095268098 843712991 /nfs/dbraw/zinc/71/29/91/843712991.db2.gz QTCHAEWLPJSMKL-SYAUCNOPSA-N 2 2 350.488 0.738 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001095268098 843712998 /nfs/dbraw/zinc/71/29/98/843712998.db2.gz QTCHAEWLPJSMKL-SYAUCNOPSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccns2)C1 ZINC001095268098 843713005 /nfs/dbraw/zinc/71/30/05/843713005.db2.gz QTCHAEWLPJSMKL-SYAUCNOPSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccns2)C1 ZINC001095268098 843713009 /nfs/dbraw/zinc/71/30/09/843713009.db2.gz QTCHAEWLPJSMKL-SYAUCNOPSA-N 2 2 350.488 0.738 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001095268097 843713062 /nfs/dbraw/zinc/71/30/62/843713062.db2.gz QTCHAEWLPJSMKL-OEAJRASXSA-N 2 2 350.488 0.738 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001095268097 843713067 /nfs/dbraw/zinc/71/30/67/843713067.db2.gz QTCHAEWLPJSMKL-OEAJRASXSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccns2)C1 ZINC001095268097 843713074 /nfs/dbraw/zinc/71/30/74/843713074.db2.gz QTCHAEWLPJSMKL-OEAJRASXSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccns2)C1 ZINC001095268097 843713080 /nfs/dbraw/zinc/71/30/80/843713080.db2.gz QTCHAEWLPJSMKL-OEAJRASXSA-N 2 2 350.488 0.738 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022348 843772069 /nfs/dbraw/zinc/77/20/69/843772069.db2.gz MJMZVJQTZYJSCH-FZKCQIBNSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022348 843772074 /nfs/dbraw/zinc/77/20/74/843772074.db2.gz MJMZVJQTZYJSCH-FZKCQIBNSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001096022348 843772080 /nfs/dbraw/zinc/77/20/80/843772080.db2.gz MJMZVJQTZYJSCH-FZKCQIBNSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001096022348 843772085 /nfs/dbraw/zinc/77/20/85/843772085.db2.gz MJMZVJQTZYJSCH-FZKCQIBNSA-N 2 2 350.507 0.917 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F)C(N)=O ZINC001099244431 843987319 /nfs/dbraw/zinc/98/73/19/843987319.db2.gz JPXLTBPPZDARGN-GMTAPVOTSA-N 2 2 361.368 0.585 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102926604 844668356 /nfs/dbraw/zinc/66/83/56/844668356.db2.gz LRORNYGBYNUQPT-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102926604 844668360 /nfs/dbraw/zinc/66/83/60/844668360.db2.gz LRORNYGBYNUQPT-HUUCEWRRSA-N 2 2 370.519 0.851 20 0 FCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001103360711 844742946 /nfs/dbraw/zinc/74/29/46/844742946.db2.gz QYURLGOGOZBGHY-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001103360711 844742957 /nfs/dbraw/zinc/74/29/57/844742957.db2.gz QYURLGOGOZBGHY-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001103360711 844742966 /nfs/dbraw/zinc/74/29/66/844742966.db2.gz QYURLGOGOZBGHY-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCO)C[C@H]1CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001103360711 844742973 /nfs/dbraw/zinc/74/29/73/844742973.db2.gz QYURLGOGOZBGHY-JFIYKMOQSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574164 844782395 /nfs/dbraw/zinc/78/23/95/844782395.db2.gz CNIWBVPQIYAYNN-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574164 844782396 /nfs/dbraw/zinc/78/23/96/844782396.db2.gz CNIWBVPQIYAYNN-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033958 844855806 /nfs/dbraw/zinc/85/58/06/844855806.db2.gz MUTHVAAVPRICDT-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)on1 ZINC001104033958 844855814 /nfs/dbraw/zinc/85/58/14/844855814.db2.gz MUTHVAAVPRICDT-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCO ZINC001104452778 844913831 /nfs/dbraw/zinc/91/38/31/844913831.db2.gz UVEJCLGCCUGZPD-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CC[NH2+]CCO ZINC001104452778 844913833 /nfs/dbraw/zinc/91/38/33/844913833.db2.gz UVEJCLGCCUGZPD-KBAYOESNSA-N 2 2 353.507 0.554 20 0 FCADLP C[C@H](C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)CS(C)(=O)=O ZINC001104732081 844935417 /nfs/dbraw/zinc/93/54/17/844935417.db2.gz MSDDIFXLWYVPBO-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)CS(C)(=O)=O ZINC001105104682 844980606 /nfs/dbraw/zinc/98/06/06/844980606.db2.gz ALYQEJKUWXEMOG-BZUAXINKSA-N 2 2 370.519 0.638 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C\Cl)nn3)C2)O1 ZINC001105268558 844984916 /nfs/dbraw/zinc/98/49/16/844984916.db2.gz SLXMMIPWKYVTHZ-YUOQAEMBSA-N 2 2 368.869 0.223 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C\Cl)nn3)C2)O1 ZINC001105268558 844984923 /nfs/dbraw/zinc/98/49/23/844984923.db2.gz SLXMMIPWKYVTHZ-YUOQAEMBSA-N 2 2 368.869 0.223 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105661362 845011461 /nfs/dbraw/zinc/01/14/61/845011461.db2.gz HZPJSZBNHSBPIO-DTTOXWODSA-N 2 2 350.463 0.565 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cc2[nH]cc[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668798 845014765 /nfs/dbraw/zinc/01/47/65/845014765.db2.gz ZUKWBTOLOFYCAQ-KJWYOANISA-N 2 2 350.463 0.301 20 0 FCADLP COCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001106721166 845232249 /nfs/dbraw/zinc/23/22/49/845232249.db2.gz VYARXIGRMDSYPN-IAGOWNOFSA-N 2 2 353.507 0.962 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106874740 845276510 /nfs/dbraw/zinc/27/65/10/845276510.db2.gz RLVGHIFLQXVYPU-CHWSQXEVSA-N 2 2 356.492 0.416 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106922402 845286401 /nfs/dbraw/zinc/28/64/01/845286401.db2.gz BIQHIWPNHUTCNS-TZMCWYRMSA-N 2 2 356.492 0.379 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758273 861584940 /nfs/dbraw/zinc/58/49/40/861584940.db2.gz VWRHLTSGSZSSCN-SFHVURJKSA-N 2 2 350.463 0.058 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758273 861584954 /nfs/dbraw/zinc/58/49/54/861584954.db2.gz VWRHLTSGSZSSCN-SFHVURJKSA-N 2 2 350.463 0.058 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109303983 845618417 /nfs/dbraw/zinc/61/84/17/845618417.db2.gz DIDGPMZBOSTPIO-MTSZKFMLSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109303983 845618426 /nfs/dbraw/zinc/61/84/26/845618426.db2.gz DIDGPMZBOSTPIO-MTSZKFMLSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109303983 845618431 /nfs/dbraw/zinc/61/84/31/845618431.db2.gz DIDGPMZBOSTPIO-MTSZKFMLSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109303983 845618438 /nfs/dbraw/zinc/61/84/38/845618438.db2.gz DIDGPMZBOSTPIO-MTSZKFMLSA-N 2 2 350.507 0.820 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306418 845620096 /nfs/dbraw/zinc/62/00/96/845620096.db2.gz XXOUAYYZQHQSQO-MTSZKFMLSA-N 2 2 371.547 0.873 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306418 845620102 /nfs/dbraw/zinc/62/01/02/845620102.db2.gz XXOUAYYZQHQSQO-MTSZKFMLSA-N 2 2 371.547 0.873 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109306418 845620108 /nfs/dbraw/zinc/62/01/08/845620108.db2.gz XXOUAYYZQHQSQO-MTSZKFMLSA-N 2 2 371.547 0.873 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109306418 845620112 /nfs/dbraw/zinc/62/01/12/845620112.db2.gz XXOUAYYZQHQSQO-MTSZKFMLSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)CNC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276764841 861589594 /nfs/dbraw/zinc/58/95/94/861589594.db2.gz JCMRMSOECVIZNU-MRXNPFEDSA-N 2 2 350.507 0.635 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)CC1 ZINC001276764776 861589847 /nfs/dbraw/zinc/58/98/47/861589847.db2.gz GGQLJVATXIIXTH-ZDUSSCGKSA-N 2 2 358.433 0.244 20 0 FCADLP CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001109449178 845655632 /nfs/dbraw/zinc/65/56/32/845655632.db2.gz JCYZPUYAVMVEJY-FXUDXRNXSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2)S(C)(=O)=O ZINC001109449178 845655636 /nfs/dbraw/zinc/65/56/36/845655636.db2.gz JCYZPUYAVMVEJY-FXUDXRNXSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2)S(C)(=O)=O ZINC001109449178 845655644 /nfs/dbraw/zinc/65/56/44/845655644.db2.gz JCYZPUYAVMVEJY-FXUDXRNXSA-N 2 2 372.535 0.084 20 0 FCADLP CN(CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2)S(C)(=O)=O ZINC001109449178 845655649 /nfs/dbraw/zinc/65/56/49/845655649.db2.gz JCYZPUYAVMVEJY-FXUDXRNXSA-N 2 2 372.535 0.084 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449288 845655980 /nfs/dbraw/zinc/65/59/80/845655980.db2.gz MZIABVUKIQIMFJ-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449288 845655985 /nfs/dbraw/zinc/65/59/85/845655985.db2.gz MZIABVUKIQIMFJ-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109449288 845655993 /nfs/dbraw/zinc/65/59/93/845655993.db2.gz MZIABVUKIQIMFJ-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449288 845656000 /nfs/dbraw/zinc/65/60/00/845656000.db2.gz MZIABVUKIQIMFJ-UGUYLWEFSA-N 2 2 372.535 0.132 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001109463853 845666135 /nfs/dbraw/zinc/66/61/35/845666135.db2.gz ABKORYLSJUDPRZ-ILXRZTDVSA-N 2 2 374.551 0.378 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001109463853 845666138 /nfs/dbraw/zinc/66/61/38/845666138.db2.gz ABKORYLSJUDPRZ-ILXRZTDVSA-N 2 2 374.551 0.378 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)CC ZINC001109463853 845666145 /nfs/dbraw/zinc/66/61/45/845666145.db2.gz ABKORYLSJUDPRZ-ILXRZTDVSA-N 2 2 374.551 0.378 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)CC ZINC001109463853 845666149 /nfs/dbraw/zinc/66/61/49/845666149.db2.gz ABKORYLSJUDPRZ-ILXRZTDVSA-N 2 2 374.551 0.378 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC)C1 ZINC001109635537 845701148 /nfs/dbraw/zinc/70/11/48/845701148.db2.gz HNYGVABSXOMKMR-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC)C1 ZINC001109635537 845701157 /nfs/dbraw/zinc/70/11/57/845701157.db2.gz HNYGVABSXOMKMR-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC)C1 ZINC001109635537 845701167 /nfs/dbraw/zinc/70/11/67/845701167.db2.gz HNYGVABSXOMKMR-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC)C1 ZINC001109635537 845701172 /nfs/dbraw/zinc/70/11/72/845701172.db2.gz HNYGVABSXOMKMR-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001109640634 845703453 /nfs/dbraw/zinc/70/34/53/845703453.db2.gz QHJKXERZANMYEA-KSWRQPAISA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001109640634 845703463 /nfs/dbraw/zinc/70/34/63/845703463.db2.gz QHJKXERZANMYEA-KSWRQPAISA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001109640634 845703476 /nfs/dbraw/zinc/70/34/76/845703476.db2.gz QHJKXERZANMYEA-KSWRQPAISA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001109640634 845703488 /nfs/dbraw/zinc/70/34/88/845703488.db2.gz QHJKXERZANMYEA-KSWRQPAISA-N 2 2 371.547 0.873 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001109654881 845705920 /nfs/dbraw/zinc/70/59/20/845705920.db2.gz AUNZSBFZWGSHJU-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001109654881 845705923 /nfs/dbraw/zinc/70/59/23/845705923.db2.gz AUNZSBFZWGSHJU-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671637 845710866 /nfs/dbraw/zinc/71/08/66/845710866.db2.gz VFEPMFFOROFZOR-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671637 845710874 /nfs/dbraw/zinc/71/08/74/845710874.db2.gz VFEPMFFOROFZOR-IKGGRYGDSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672715 845710957 /nfs/dbraw/zinc/71/09/57/845710957.db2.gz QKIYDKYXUHRCQL-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672715 845710962 /nfs/dbraw/zinc/71/09/62/845710962.db2.gz QKIYDKYXUHRCQL-PMPSAXMXSA-N 2 2 359.536 0.873 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102048 845790050 /nfs/dbraw/zinc/79/00/50/845790050.db2.gz QIEVVNFWNYTEFO-FZKCQIBNSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110102048 845790054 /nfs/dbraw/zinc/79/00/54/845790054.db2.gz QIEVVNFWNYTEFO-FZKCQIBNSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110102048 845790056 /nfs/dbraw/zinc/79/00/56/845790056.db2.gz QIEVVNFWNYTEFO-FZKCQIBNSA-N 2 2 357.520 0.484 20 0 FCADLP 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CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021190 846016915 /nfs/dbraw/zinc/01/69/15/846016915.db2.gz PHBRXQAHGNJKKF-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021190 846016922 /nfs/dbraw/zinc/01/69/22/846016922.db2.gz PHBRXQAHGNJKKF-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021190 846016929 /nfs/dbraw/zinc/01/69/29/846016929.db2.gz PHBRXQAHGNJKKF-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111021190 846016934 /nfs/dbraw/zinc/01/69/34/846016934.db2.gz PHBRXQAHGNJKKF-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111181004 846055895 /nfs/dbraw/zinc/05/58/95/846055895.db2.gz YZPCIYDOQJAFSC-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111181004 846055904 /nfs/dbraw/zinc/05/59/04/846055904.db2.gz YZPCIYDOQJAFSC-ZACQAIPSSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276826148 861636437 /nfs/dbraw/zinc/63/64/37/861636437.db2.gz BRICARSKPCDQFX-SJLPKXTDSA-N 2 2 350.463 0.488 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276826148 861636442 /nfs/dbraw/zinc/63/64/42/861636442.db2.gz BRICARSKPCDQFX-SJLPKXTDSA-N 2 2 350.463 0.488 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001111304185 846082227 /nfs/dbraw/zinc/08/22/27/846082227.db2.gz WBCJPSKUJWYNHQ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001111304185 846082212 /nfs/dbraw/zinc/08/22/12/846082212.db2.gz WBCJPSKUJWYNHQ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCC1CC1 ZINC001111304185 846082220 /nfs/dbraw/zinc/08/22/20/846082220.db2.gz WBCJPSKUJWYNHQ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001111304185 846082236 /nfs/dbraw/zinc/08/22/36/846082236.db2.gz WBCJPSKUJWYNHQ-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407011 846098201 /nfs/dbraw/zinc/09/82/01/846098201.db2.gz KCUGEPYLQOLCMK-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407011 846098205 /nfs/dbraw/zinc/09/82/05/846098205.db2.gz KCUGEPYLQOLCMK-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407011 846098209 /nfs/dbraw/zinc/09/82/09/846098209.db2.gz KCUGEPYLQOLCMK-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407011 846098213 /nfs/dbraw/zinc/09/82/13/846098213.db2.gz KCUGEPYLQOLCMK-HZMVEIRTSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408458 846100231 /nfs/dbraw/zinc/10/02/31/846100231.db2.gz ZRVXHSIAIRIGRT-OAGGEKHMSA-N 2 2 351.495 0.511 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408458 846100239 /nfs/dbraw/zinc/10/02/39/846100239.db2.gz ZRVXHSIAIRIGRT-OAGGEKHMSA-N 2 2 351.495 0.511 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408021 846100367 /nfs/dbraw/zinc/10/03/67/846100367.db2.gz FOIZVHFMVRCXDX-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408021 846100374 /nfs/dbraw/zinc/10/03/74/846100374.db2.gz FOIZVHFMVRCXDX-OAGGEKHMSA-N 2 2 372.535 0.085 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111463986 846118508 /nfs/dbraw/zinc/11/85/08/846118508.db2.gz CKGIHWZDQAKQBF-JJXSEGSLSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111463986 846118514 /nfs/dbraw/zinc/11/85/14/846118514.db2.gz CKGIHWZDQAKQBF-JJXSEGSLSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001111463986 846118518 /nfs/dbraw/zinc/11/85/18/846118518.db2.gz CKGIHWZDQAKQBF-JJXSEGSLSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CS(C)(=O)=O ZINC001111463986 846118523 /nfs/dbraw/zinc/11/85/23/846118523.db2.gz CKGIHWZDQAKQBF-JJXSEGSLSA-N 2 2 359.536 0.729 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111870870 846239610 /nfs/dbraw/zinc/23/96/10/846239610.db2.gz QKFRKSJDNQBTFF-RYRKJORJSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111870870 846239618 /nfs/dbraw/zinc/23/96/18/846239618.db2.gz QKFRKSJDNQBTFF-RYRKJORJSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111870870 846239628 /nfs/dbraw/zinc/23/96/28/846239628.db2.gz QKFRKSJDNQBTFF-RYRKJORJSA-N 2 2 371.547 0.876 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111870870 846239633 /nfs/dbraw/zinc/23/96/33/846239633.db2.gz QKFRKSJDNQBTFF-RYRKJORJSA-N 2 2 371.547 0.876 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021237 846298207 /nfs/dbraw/zinc/29/82/07/846298207.db2.gz BFYVTVHJXLERPK-BQFCYCMXSA-N 2 2 350.463 0.641 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021237 846298216 /nfs/dbraw/zinc/29/82/16/846298216.db2.gz BFYVTVHJXLERPK-BQFCYCMXSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112113033 846392897 /nfs/dbraw/zinc/39/28/97/846392897.db2.gz ZXAIHOAOCLIAJO-CHWSQXEVSA-N 2 2 364.368 0.330 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122349 846400061 /nfs/dbraw/zinc/40/00/61/846400061.db2.gz ISJBCFNURNEQRO-UPJWGTAASA-N 2 2 364.412 0.586 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122349 846400069 /nfs/dbraw/zinc/40/00/69/846400069.db2.gz ISJBCFNURNEQRO-UPJWGTAASA-N 2 2 364.412 0.586 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141056 846412927 /nfs/dbraw/zinc/41/29/27/846412927.db2.gz HFFKYEIKOPMZNF-JHJVBQTASA-N 2 2 364.368 0.259 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F)c1nncn1C ZINC001112159952 846425991 /nfs/dbraw/zinc/42/59/91/846425991.db2.gz JGERFIQRKXCCKJ-IJLUTSLNSA-N 2 2 362.400 0.807 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112205791 846461633 /nfs/dbraw/zinc/46/16/33/846461633.db2.gz ASIRRVFYNXFOSU-YUSALJHKSA-N 2 2 361.368 0.305 20 0 FCADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112582817 846530748 /nfs/dbraw/zinc/53/07/48/846530748.db2.gz PUTLAYONNWGKBB-LNLFQRSKSA-N 2 2 351.491 0.308 20 0 FCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)o1 ZINC001127570670 848725327 /nfs/dbraw/zinc/72/53/27/848725327.db2.gz BJBPFPLVDYMJNC-ZBFHGGJFSA-N 2 2 351.451 0.331 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)CC[N@@H+]1C ZINC001127643577 848730646 /nfs/dbraw/zinc/73/06/46/848730646.db2.gz BLAZFDRXSHKLDX-MGPQQGTHSA-N 2 2 351.451 0.510 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)CC[N@H+]1C ZINC001127643577 848730651 /nfs/dbraw/zinc/73/06/51/848730651.db2.gz BLAZFDRXSHKLDX-MGPQQGTHSA-N 2 2 351.451 0.510 20 0 FCADLP CCCCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001130184584 848962875 /nfs/dbraw/zinc/96/28/75/848962875.db2.gz VPYMPUWFEAFPSN-MGPQQGTHSA-N 2 2 353.467 0.898 20 0 FCADLP CCCCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001130184584 848962880 /nfs/dbraw/zinc/96/28/80/848962880.db2.gz VPYMPUWFEAFPSN-MGPQQGTHSA-N 2 2 353.467 0.898 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C2CCC2)n[nH]1 ZINC001130221120 848979122 /nfs/dbraw/zinc/97/91/22/848979122.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 2 2 350.467 0.387 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C2CCC2)n[nH]1 ZINC001130221120 848979124 /nfs/dbraw/zinc/97/91/24/848979124.db2.gz VTXZUAGUTGNISZ-KBPBESRZSA-N 2 2 350.467 0.387 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130772617 849039010 /nfs/dbraw/zinc/03/90/10/849039010.db2.gz UNELWGCLGNAVGY-RWMBFGLXSA-N 2 2 354.430 0.294 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130772617 849039018 /nfs/dbraw/zinc/03/90/18/849039018.db2.gz UNELWGCLGNAVGY-RWMBFGLXSA-N 2 2 354.430 0.294 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCF)O2)n1)[NH+](C)C ZINC001130790435 849043699 /nfs/dbraw/zinc/04/36/99/849043699.db2.gz ZTXZEDMAVCRGTK-YNEHKIRRSA-N 2 2 356.446 0.540 20 0 FCADLP CO[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001131612677 849131180 /nfs/dbraw/zinc/13/11/80/849131180.db2.gz NLKZRIHZAPLQAI-KYJSFNMBSA-N 2 2 350.463 0.904 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(COC(=O)N4)CC3)s2)CC1 ZINC001139325423 849337654 /nfs/dbraw/zinc/33/76/54/849337654.db2.gz NUGJTZCGYBHULZ-UHFFFAOYSA-N 2 2 351.476 0.969 20 0 FCADLP O=C1CO[C@]2(CC[N@@H+](C[C@H](O)C(F)(F)F)C2)CN1CCn1cc[nH+]c1 ZINC001277697651 862008204 /nfs/dbraw/zinc/00/82/04/862008204.db2.gz LGCUZYPWMUKJQW-JSGCOSHPSA-N 2 2 362.352 0.110 20 0 FCADLP O=C1CO[C@]2(CC[N@H+](C[C@H](O)C(F)(F)F)C2)CN1CCn1cc[nH+]c1 ZINC001277697651 862008229 /nfs/dbraw/zinc/00/82/29/862008229.db2.gz LGCUZYPWMUKJQW-JSGCOSHPSA-N 2 2 362.352 0.110 20 0 FCADLP CCOC[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001277720026 862033193 /nfs/dbraw/zinc/03/31/93/862033193.db2.gz TXEQZFRVDMMSSO-HOTGVXAUSA-N 2 2 350.463 0.536 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732256 862045121 /nfs/dbraw/zinc/04/51/21/862045121.db2.gz AWZYYAFSPPHBIF-KRWDZBQOSA-N 2 2 350.419 0.680 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001277732256 862045137 /nfs/dbraw/zinc/04/51/37/862045137.db2.gz AWZYYAFSPPHBIF-KRWDZBQOSA-N 2 2 350.419 0.680 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2nc3c(s2)C[N@H+](C)CC3)O1 ZINC001154223154 849783854 /nfs/dbraw/zinc/78/38/54/849783854.db2.gz OWOMNYVCXAGCIM-HSMVNMDESA-N 2 2 354.476 0.586 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2nc3c(s2)C[N@@H+](C)CC3)O1 ZINC001154223154 849783864 /nfs/dbraw/zinc/78/38/64/849783864.db2.gz OWOMNYVCXAGCIM-HSMVNMDESA-N 2 2 354.476 0.586 20 0 FCADLP CCS(=O)(=O)N1CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001156255742 849899817 /nfs/dbraw/zinc/89/98/17/849899817.db2.gz KAUGQFGPIZFNPC-UHFFFAOYSA-N 2 2 353.492 0.717 20 0 FCADLP COC(=O)Cc1c(Cl)ncnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259307 850031096 /nfs/dbraw/zinc/03/10/96/850031096.db2.gz QHKXVHZCKBZDFG-LLVKDONJSA-N 2 2 353.854 0.847 20 0 FCADLP COC(=O)Cc1c(Cl)ncnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259307 850031099 /nfs/dbraw/zinc/03/10/99/850031099.db2.gz QHKXVHZCKBZDFG-LLVKDONJSA-N 2 2 353.854 0.847 20 0 FCADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001158642927 850064188 /nfs/dbraw/zinc/06/41/88/850064188.db2.gz QOYRUVHJARBFKT-CXAGYDPISA-N 2 2 363.487 0.761 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158697587 850067827 /nfs/dbraw/zinc/06/78/27/850067827.db2.gz DLFAVOXFNUMQCS-AWEZNQCLSA-N 3 2 368.551 0.430 20 0 FCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159029914 850092381 /nfs/dbraw/zinc/09/23/81/850092381.db2.gz MXTPBAXIPVJXFW-MRXNPFEDSA-N 3 2 350.463 0.539 20 0 FCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159029914 850092394 /nfs/dbraw/zinc/09/23/94/850092394.db2.gz MXTPBAXIPVJXFW-MRXNPFEDSA-N 3 2 350.463 0.539 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001159077339 850094772 /nfs/dbraw/zinc/09/47/72/850094772.db2.gz OUENYESKXXZVIT-WQGACYEGSA-N 2 2 363.405 0.224 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001159078744 850094804 /nfs/dbraw/zinc/09/48/04/850094804.db2.gz ZCRWPDYQKAJWMG-ZTFGCOKTSA-N 2 2 353.463 0.383 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001159078739 850095437 /nfs/dbraw/zinc/09/54/37/850095437.db2.gz ZCRWPDYQKAJWMG-BMGDILEWSA-N 2 2 353.463 0.383 20 0 FCADLP CC(C)(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160387 850098894 /nfs/dbraw/zinc/09/88/94/850098894.db2.gz JQTLUUMXDNZKMN-HRLGVUPISA-N 3 2 350.507 0.746 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C1 ZINC001159220737 850102884 /nfs/dbraw/zinc/10/28/84/850102884.db2.gz OAPDUFNKHKBPHG-RLFYNMQTSA-N 2 2 362.499 0.892 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834660 850139095 /nfs/dbraw/zinc/13/90/95/850139095.db2.gz WFYDWUSVLOLVDT-LYYZXLFJSA-N 3 2 361.515 0.516 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834660 850139100 /nfs/dbraw/zinc/13/91/00/850139100.db2.gz WFYDWUSVLOLVDT-LYYZXLFJSA-N 3 2 361.515 0.516 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834271 850139297 /nfs/dbraw/zinc/13/92/97/850139297.db2.gz UODOINIOFYUXRN-HOCLYGCPSA-N 3 2 363.531 0.908 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834271 850139303 /nfs/dbraw/zinc/13/93/03/850139303.db2.gz UODOINIOFYUXRN-HOCLYGCPSA-N 3 2 363.531 0.908 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832228 850139499 /nfs/dbraw/zinc/13/94/99/850139499.db2.gz BGKORXYDRPDRKS-CFVMTHIKSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832228 850139505 /nfs/dbraw/zinc/13/95/05/850139505.db2.gz BGKORXYDRPDRKS-CFVMTHIKSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832228 850139510 /nfs/dbraw/zinc/13/95/10/850139510.db2.gz BGKORXYDRPDRKS-CFVMTHIKSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832228 850139515 /nfs/dbraw/zinc/13/95/15/850139515.db2.gz BGKORXYDRPDRKS-CFVMTHIKSA-N 2 2 360.487 0.859 20 0 FCADLP O=C(NCCC[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325971 850165798 /nfs/dbraw/zinc/16/57/98/850165798.db2.gz HMNKEWCJVRAKKO-ZIAGYGMSSA-N 2 2 354.476 0.434 20 0 FCADLP O=C(NCCC[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325971 850165801 /nfs/dbraw/zinc/16/58/01/850165801.db2.gz HMNKEWCJVRAKKO-ZIAGYGMSSA-N 2 2 354.476 0.434 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001160381789 850169008 /nfs/dbraw/zinc/16/90/08/850169008.db2.gz ZSEFBWGBHNVGCC-AWEZNQCLSA-N 2 2 350.467 0.229 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC001160381789 850169017 /nfs/dbraw/zinc/16/90/17/850169017.db2.gz ZSEFBWGBHNVGCC-AWEZNQCLSA-N 2 2 350.467 0.229 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794426 862098989 /nfs/dbraw/zinc/09/89/89/862098989.db2.gz ISISOVNIMGDBCW-FUHWJXTLSA-N 2 2 350.463 0.736 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001277794426 862099001 /nfs/dbraw/zinc/09/90/01/862099001.db2.gz ISISOVNIMGDBCW-FUHWJXTLSA-N 2 2 350.463 0.736 20 0 FCADLP CCC[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802688 862106154 /nfs/dbraw/zinc/10/61/54/862106154.db2.gz RJCKGXWEWCPROY-SJLPKXTDSA-N 2 2 350.463 0.632 20 0 FCADLP CCC[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802688 862106155 /nfs/dbraw/zinc/10/61/55/862106155.db2.gz RJCKGXWEWCPROY-SJLPKXTDSA-N 2 2 350.463 0.632 20 0 FCADLP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)C1C[NH+](C)C1 ZINC001161138354 850233304 /nfs/dbraw/zinc/23/33/04/850233304.db2.gz SSNUTPQKXVIZPT-GJZGRUSLSA-N 2 2 354.495 0.282 20 0 FCADLP O=C(N1CC[C@@H](n2cc(Br)cn2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161520563 850266996 /nfs/dbraw/zinc/26/69/96/850266996.db2.gz QXYUTURKAANAIZ-ZKYQVNSYSA-N 2 2 354.252 0.371 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162315608 850307779 /nfs/dbraw/zinc/30/77/79/850307779.db2.gz UCSGKEJZLKMQQB-RBSFLKMASA-N 2 2 350.463 0.739 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](C[C@@H](C)O)CC1 ZINC001162315608 850307793 /nfs/dbraw/zinc/30/77/93/850307793.db2.gz UCSGKEJZLKMQQB-RBSFLKMASA-N 2 2 350.463 0.739 20 0 FCADLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)nc2c1S(=O)(=O)CC2 ZINC001163129556 850356751 /nfs/dbraw/zinc/35/67/51/850356751.db2.gz NUOHXPRFHMEAPU-UHFFFAOYSA-N 2 2 360.871 0.738 20 0 FCADLP COc1c[nH+]c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1NC(C)C ZINC001165339975 850434666 /nfs/dbraw/zinc/43/46/66/850434666.db2.gz GMAJCORZAVUYDZ-QGZVFWFLSA-N 2 2 351.451 0.891 20 0 FCADLP [NH2+]=C(Nc1ccc(F)c(S(=O)(=O)NCc2cn[nH]n2)c1)SCC[NH3+] ZINC001167915864 850563601 /nfs/dbraw/zinc/56/36/01/850563601.db2.gz LMNDCGOTZMZLIL-UHFFFAOYSA-N 2 2 373.439 0.461 20 0 FCADLP CCOC(=O)Cc1cnc(SC)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066502 850604471 /nfs/dbraw/zinc/60/44/71/850604471.db2.gz GDBCKNCTJGKBTK-LLVKDONJSA-N 2 2 351.432 0.352 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)CC1 ZINC001169253261 850609931 /nfs/dbraw/zinc/60/99/31/850609931.db2.gz ALNRFXXKOGFOHR-UHFFFAOYSA-N 2 2 359.536 0.845 20 0 FCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169319662 850612661 /nfs/dbraw/zinc/61/26/61/850612661.db2.gz HTDIXNATPVEFJI-XJFOESAGSA-N 2 2 357.451 0.633 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]cnc3[nH]cc([S@](C)=O)c32)O1 ZINC001170270056 850648886 /nfs/dbraw/zinc/64/88/86/850648886.db2.gz CZQHZJPEOHNTPJ-XQOVPISKSA-N 2 2 353.448 0.784 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CN1C(=O)OC(C)(C)C ZINC001170616289 850660089 /nfs/dbraw/zinc/66/00/89/850660089.db2.gz JANIGWHCUKGNNG-DGAVXFQQSA-N 2 2 357.451 0.633 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(=N)SCC[NH3+] ZINC001177088532 850823074 /nfs/dbraw/zinc/82/30/74/850823074.db2.gz OIANFKMEPBSBIJ-JTQLQIEISA-N 2 2 356.452 0.588 20 0 FCADLP CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(=N)SCC[NH3+] ZINC001177088532 850823083 /nfs/dbraw/zinc/82/30/83/850823083.db2.gz OIANFKMEPBSBIJ-JTQLQIEISA-N 2 2 356.452 0.588 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001178948794 850940806 /nfs/dbraw/zinc/94/08/06/850940806.db2.gz OSXYVBRHRDGDLA-HOTGVXAUSA-N 2 2 363.531 0.813 20 0 FCADLP CC(C)[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181479579 851113371 /nfs/dbraw/zinc/11/33/71/851113371.db2.gz HRDSYOUHNOGNPA-MRXNPFEDSA-N 2 2 352.523 0.975 20 0 FCADLP CC(C)[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181479579 851113383 /nfs/dbraw/zinc/11/33/83/851113383.db2.gz HRDSYOUHNOGNPA-MRXNPFEDSA-N 2 2 352.523 0.975 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181780838 851132654 /nfs/dbraw/zinc/13/26/54/851132654.db2.gz BCFPVHUACWREGE-KQVLKZGSSA-N 2 2 350.463 0.595 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181780838 851132659 /nfs/dbraw/zinc/13/26/59/851132659.db2.gz BCFPVHUACWREGE-KQVLKZGSSA-N 2 2 350.463 0.595 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305024 851543260 /nfs/dbraw/zinc/54/32/60/851543260.db2.gz POGUIQMOYVSZDD-HRCADAONSA-N 2 2 369.531 0.438 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305024 851543266 /nfs/dbraw/zinc/54/32/66/851543266.db2.gz POGUIQMOYVSZDD-HRCADAONSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305024 851543268 /nfs/dbraw/zinc/54/32/68/851543268.db2.gz POGUIQMOYVSZDD-HRCADAONSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001187305024 851543272 /nfs/dbraw/zinc/54/32/72/851543272.db2.gz POGUIQMOYVSZDD-HRCADAONSA-N 2 2 369.531 0.438 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)CS(C)(=O)=O ZINC001187706429 851596736 /nfs/dbraw/zinc/59/67/36/851596736.db2.gz JAPUZWRCPVNQHT-SOUVJXGZSA-N 2 2 368.503 0.556 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)CS(C)(=O)=O ZINC001187706429 851596739 /nfs/dbraw/zinc/59/67/39/851596739.db2.gz JAPUZWRCPVNQHT-SOUVJXGZSA-N 2 2 368.503 0.556 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001188107678 851646692 /nfs/dbraw/zinc/64/66/92/851646692.db2.gz VRFDBEWGZYVKPH-RRFJBIMHSA-N 2 2 363.499 0.244 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001188107678 851646697 /nfs/dbraw/zinc/64/66/97/851646697.db2.gz VRFDBEWGZYVKPH-RRFJBIMHSA-N 2 2 363.499 0.244 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219554 851660480 /nfs/dbraw/zinc/66/04/80/851660480.db2.gz SOLZTMOEFWNWBH-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219554 851660483 /nfs/dbraw/zinc/66/04/83/851660483.db2.gz SOLZTMOEFWNWBH-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219554 851660487 /nfs/dbraw/zinc/66/04/87/851660487.db2.gz SOLZTMOEFWNWBH-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219554 851660489 /nfs/dbraw/zinc/66/04/89/851660489.db2.gz SOLZTMOEFWNWBH-DOTOQJQBSA-N 2 2 350.507 0.920 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001189011540 851741924 /nfs/dbraw/zinc/74/19/24/851741924.db2.gz CMHBGSJBTVOSAW-CWRNSKLLSA-N 2 2 351.426 0.349 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001189011540 851741928 /nfs/dbraw/zinc/74/19/28/851741928.db2.gz CMHBGSJBTVOSAW-CWRNSKLLSA-N 2 2 351.426 0.349 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001189011540 851741934 /nfs/dbraw/zinc/74/19/34/851741934.db2.gz CMHBGSJBTVOSAW-CWRNSKLLSA-N 2 2 351.426 0.349 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001189011540 851741939 /nfs/dbraw/zinc/74/19/39/851741939.db2.gz CMHBGSJBTVOSAW-CWRNSKLLSA-N 2 2 351.426 0.349 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001189432597 851790669 /nfs/dbraw/zinc/79/06/69/851790669.db2.gz GCWAOBAOEWVKCM-JKSUJKDBSA-N 2 2 368.503 0.549 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001189432597 851790675 /nfs/dbraw/zinc/79/06/75/851790675.db2.gz GCWAOBAOEWVKCM-JKSUJKDBSA-N 2 2 368.503 0.549 20 0 FCADLP COCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001278276302 862288274 /nfs/dbraw/zinc/28/82/74/862288274.db2.gz HOZRTHAVVQJOLH-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001278276302 862288284 /nfs/dbraw/zinc/28/82/84/862288284.db2.gz HOZRTHAVVQJOLH-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889430 851977476 /nfs/dbraw/zinc/97/74/76/851977476.db2.gz KOMJGOFQEBMALQ-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889430 851977490 /nfs/dbraw/zinc/97/74/90/851977490.db2.gz KOMJGOFQEBMALQ-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889430 851977503 /nfs/dbraw/zinc/97/75/03/851977503.db2.gz KOMJGOFQEBMALQ-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(C)(C)C)C2)O1 ZINC001190889430 851977513 /nfs/dbraw/zinc/97/75/13/851977513.db2.gz KOMJGOFQEBMALQ-QLFBSQMISA-N 2 2 354.495 0.153 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193113071 852358059 /nfs/dbraw/zinc/35/80/59/852358059.db2.gz YLPGQZQEEJKYBB-HZPDHXFCSA-N 2 2 350.463 0.350 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001193113071 852358070 /nfs/dbraw/zinc/35/80/70/852358070.db2.gz YLPGQZQEEJKYBB-HZPDHXFCSA-N 2 2 350.463 0.350 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001193447024 852428911 /nfs/dbraw/zinc/42/89/11/852428911.db2.gz HJPUKEMMRKRJLE-BZUAXINKSA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001193447024 852428915 /nfs/dbraw/zinc/42/89/15/852428915.db2.gz HJPUKEMMRKRJLE-BZUAXINKSA-N 2 2 356.442 0.633 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001193620377 852461606 /nfs/dbraw/zinc/46/16/06/852461606.db2.gz YMVPKGWLNDKUPA-IAGOWNOFSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001193620377 852461613 /nfs/dbraw/zinc/46/16/13/852461613.db2.gz YMVPKGWLNDKUPA-IAGOWNOFSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001193620377 852461621 /nfs/dbraw/zinc/46/16/21/852461621.db2.gz YMVPKGWLNDKUPA-IAGOWNOFSA-N 2 2 350.463 0.710 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001193620377 852461626 /nfs/dbraw/zinc/46/16/26/852461626.db2.gz YMVPKGWLNDKUPA-IAGOWNOFSA-N 2 2 350.463 0.710 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193765540 852484480 /nfs/dbraw/zinc/48/44/80/852484480.db2.gz AKVZUNMMCHUGCU-UPJWGTAASA-N 2 2 353.385 0.067 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O)C1CC1 ZINC001193765540 852484487 /nfs/dbraw/zinc/48/44/87/852484487.db2.gz AKVZUNMMCHUGCU-UPJWGTAASA-N 2 2 353.385 0.067 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192548 852555584 /nfs/dbraw/zinc/55/55/84/852555584.db2.gz XWAWVZYBABGCEV-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194192548 852555590 /nfs/dbraw/zinc/55/55/90/852555590.db2.gz XWAWVZYBABGCEV-DJIMGWMZSA-N 2 2 350.463 0.424 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191973 852555942 /nfs/dbraw/zinc/55/59/42/852555942.db2.gz REQJVDGEKLWMKO-USXIJHARSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191973 852555950 /nfs/dbraw/zinc/55/59/50/852555950.db2.gz REQJVDGEKLWMKO-USXIJHARSA-N 2 2 350.463 0.422 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244169 852564688 /nfs/dbraw/zinc/56/46/88/852564688.db2.gz JFQSJEGPPGFQGQ-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001194244169 852564691 /nfs/dbraw/zinc/56/46/91/852564691.db2.gz JFQSJEGPPGFQGQ-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244169 852564696 /nfs/dbraw/zinc/56/46/96/852564696.db2.gz JFQSJEGPPGFQGQ-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001194244169 852564702 /nfs/dbraw/zinc/56/47/02/852564702.db2.gz JFQSJEGPPGFQGQ-KBRIMQKVSA-N 2 2 350.463 0.411 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001194908283 852670478 /nfs/dbraw/zinc/67/04/78/852670478.db2.gz ACJQWOYENQWFCL-RRFJBIMHSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001194908283 852670482 /nfs/dbraw/zinc/67/04/82/852670482.db2.gz ACJQWOYENQWFCL-RRFJBIMHSA-N 2 2 350.463 0.329 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594431 852793074 /nfs/dbraw/zinc/79/30/74/852793074.db2.gz MWJXGCUVXFVBFA-ZACQAIPSSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594431 852793085 /nfs/dbraw/zinc/79/30/85/852793085.db2.gz MWJXGCUVXFVBFA-ZACQAIPSSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594431 852793091 /nfs/dbraw/zinc/79/30/91/852793091.db2.gz MWJXGCUVXFVBFA-ZACQAIPSSA-N 2 2 357.495 0.074 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594431 852793099 /nfs/dbraw/zinc/79/30/99/852793099.db2.gz MWJXGCUVXFVBFA-ZACQAIPSSA-N 2 2 357.495 0.074 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001195700706 852814661 /nfs/dbraw/zinc/81/46/61/852814661.db2.gz GPRPNOGOLHHVKC-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001195700706 852814668 /nfs/dbraw/zinc/81/46/68/852814668.db2.gz GPRPNOGOLHHVKC-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1Cl ZINC001195859959 852836395 /nfs/dbraw/zinc/83/63/95/852836395.db2.gz PRQZARCBBQIMTC-HUUCEWRRSA-N 2 2 355.866 0.962 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1Cl ZINC001195859959 852836407 /nfs/dbraw/zinc/83/64/07/852836407.db2.gz PRQZARCBBQIMTC-HUUCEWRRSA-N 2 2 355.866 0.962 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O)[NH+](CC)CC ZINC001196128033 852895818 /nfs/dbraw/zinc/89/58/18/852895818.db2.gz CECBMJXTYBUVOS-OWCLPIDISA-N 2 2 371.913 0.818 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O)[NH+](CC)CC ZINC001196128033 852895822 /nfs/dbraw/zinc/89/58/22/852895822.db2.gz CECBMJXTYBUVOS-OWCLPIDISA-N 2 2 371.913 0.818 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC001196939965 853036020 /nfs/dbraw/zinc/03/60/20/853036020.db2.gz OZLGJQDZGDDMDH-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC001196939965 853036025 /nfs/dbraw/zinc/03/60/25/853036025.db2.gz OZLGJQDZGDDMDH-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009419 853048351 /nfs/dbraw/zinc/04/83/51/853048351.db2.gz DFJBAPIYACIHNK-ARFHVFGLSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009419 853048359 /nfs/dbraw/zinc/04/83/59/853048359.db2.gz DFJBAPIYACIHNK-ARFHVFGLSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009419 853048367 /nfs/dbraw/zinc/04/83/67/853048367.db2.gz DFJBAPIYACIHNK-ARFHVFGLSA-N 2 2 356.511 0.137 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197009419 853048371 /nfs/dbraw/zinc/04/83/71/853048371.db2.gz DFJBAPIYACIHNK-ARFHVFGLSA-N 2 2 356.511 0.137 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493675 853122956 /nfs/dbraw/zinc/12/29/56/853122956.db2.gz XKOSMQHKDRGSGG-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493675 853122963 /nfs/dbraw/zinc/12/29/63/853122963.db2.gz XKOSMQHKDRGSGG-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493675 853122967 /nfs/dbraw/zinc/12/29/67/853122967.db2.gz XKOSMQHKDRGSGG-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493675 853122974 /nfs/dbraw/zinc/12/29/74/853122974.db2.gz XKOSMQHKDRGSGG-FVQBIDKESA-N 2 2 356.511 0.183 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001197950279 853190731 /nfs/dbraw/zinc/19/07/31/853190731.db2.gz YJNWRBYPTAITKK-IAGOWNOFSA-N 2 2 350.463 0.945 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001197950279 853190742 /nfs/dbraw/zinc/19/07/42/853190742.db2.gz YJNWRBYPTAITKK-IAGOWNOFSA-N 2 2 350.463 0.945 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001198028473 853206273 /nfs/dbraw/zinc/20/62/73/853206273.db2.gz AQMCHYSUNWEQNF-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001198028473 853206277 /nfs/dbraw/zinc/20/62/77/853206277.db2.gz AQMCHYSUNWEQNF-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001198028473 853206282 /nfs/dbraw/zinc/20/62/82/853206282.db2.gz AQMCHYSUNWEQNF-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1O ZINC001198028473 853206285 /nfs/dbraw/zinc/20/62/85/853206285.db2.gz AQMCHYSUNWEQNF-BRWVUGGUSA-N 2 2 369.893 0.877 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037905 853208935 /nfs/dbraw/zinc/20/89/35/853208935.db2.gz AKPZKWLXTRMKAA-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037905 853208940 /nfs/dbraw/zinc/20/89/40/853208940.db2.gz AKPZKWLXTRMKAA-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037905 853208945 /nfs/dbraw/zinc/20/89/45/853208945.db2.gz AKPZKWLXTRMKAA-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1O ZINC001198037905 853208953 /nfs/dbraw/zinc/20/89/53/853208953.db2.gz AKPZKWLXTRMKAA-BZUAXINKSA-N 2 2 356.511 0.040 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001199023900 853356767 /nfs/dbraw/zinc/35/67/67/853356767.db2.gz SNMRMUHGENIMKC-HZPDHXFCSA-N 2 2 350.463 0.829 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)o1 ZINC001199023900 853356773 /nfs/dbraw/zinc/35/67/73/853356773.db2.gz SNMRMUHGENIMKC-HZPDHXFCSA-N 2 2 350.463 0.829 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001199405493 853420014 /nfs/dbraw/zinc/42/00/14/853420014.db2.gz FXQSVLWZWNHPLP-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1O ZINC001199405493 853420020 /nfs/dbraw/zinc/42/00/20/853420020.db2.gz FXQSVLWZWNHPLP-IAGOWNOFSA-N 2 2 350.463 0.641 20 0 FCADLP COCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201430372 853527422 /nfs/dbraw/zinc/52/74/22/853527422.db2.gz OJCQHUGWZUIXKA-ARFHVFGLSA-N 2 2 350.463 0.767 20 0 FCADLP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919467 853752598 /nfs/dbraw/zinc/75/25/98/853752598.db2.gz VBMSJOWEPQAMPB-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919467 853752602 /nfs/dbraw/zinc/75/26/02/853752602.db2.gz VBMSJOWEPQAMPB-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980336 853775178 /nfs/dbraw/zinc/77/51/78/853775178.db2.gz XDXSIYZRQNWDNX-DJIMGWMZSA-N 2 2 371.547 0.590 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980336 853775185 /nfs/dbraw/zinc/77/51/85/853775185.db2.gz XDXSIYZRQNWDNX-DJIMGWMZSA-N 2 2 371.547 0.590 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014795 853779790 /nfs/dbraw/zinc/77/97/90/853779790.db2.gz JFLQADHVQSZVQW-FVQBIDKESA-N 2 2 350.463 0.206 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014795 853779796 /nfs/dbraw/zinc/77/97/96/853779796.db2.gz JFLQADHVQSZVQW-FVQBIDKESA-N 2 2 350.463 0.206 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550544 853823623 /nfs/dbraw/zinc/82/36/23/853823623.db2.gz AIXSLJUAVZNSPZ-UNEWFSDZSA-N 2 2 352.523 0.925 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550544 853823630 /nfs/dbraw/zinc/82/36/30/853823630.db2.gz AIXSLJUAVZNSPZ-UNEWFSDZSA-N 2 2 352.523 0.925 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550543 853823702 /nfs/dbraw/zinc/82/37/02/853823702.db2.gz AIXSLJUAVZNSPZ-FRFSOERESA-N 2 2 352.523 0.925 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550543 853823709 /nfs/dbraw/zinc/82/37/09/853823709.db2.gz AIXSLJUAVZNSPZ-FRFSOERESA-N 2 2 352.523 0.925 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001207709388 853844466 /nfs/dbraw/zinc/84/44/66/853844466.db2.gz VSVYPASMLFRNBN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001207709388 853844471 /nfs/dbraw/zinc/84/44/71/853844471.db2.gz VSVYPASMLFRNBN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001207709388 853844475 /nfs/dbraw/zinc/84/44/75/853844475.db2.gz VSVYPASMLFRNBN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001207709388 853844482 /nfs/dbraw/zinc/84/44/82/853844482.db2.gz VSVYPASMLFRNBN-BZUAXINKSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207859094 853864200 /nfs/dbraw/zinc/86/42/00/853864200.db2.gz HZRMSNXKKKPHMI-HUUCEWRRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207859094 853864205 /nfs/dbraw/zinc/86/42/05/853864205.db2.gz HZRMSNXKKKPHMI-HUUCEWRRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252262 853907531 /nfs/dbraw/zinc/90/75/31/853907531.db2.gz HOMVIDJKLXAGEB-GDBMZVCRSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252262 853907536 /nfs/dbraw/zinc/90/75/36/853907536.db2.gz HOMVIDJKLXAGEB-GDBMZVCRSA-N 2 2 368.503 0.535 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605235 853958429 /nfs/dbraw/zinc/95/84/29/853958429.db2.gz PZERAPFYZCMWLA-HZPDHXFCSA-N 2 2 352.523 0.927 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605235 853958431 /nfs/dbraw/zinc/95/84/31/853958431.db2.gz PZERAPFYZCMWLA-HZPDHXFCSA-N 2 2 352.523 0.927 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208605235 853958434 /nfs/dbraw/zinc/95/84/34/853958434.db2.gz PZERAPFYZCMWLA-HZPDHXFCSA-N 2 2 352.523 0.927 20 0 FCADLP CC(C)CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208605235 853958437 /nfs/dbraw/zinc/95/84/37/853958437.db2.gz PZERAPFYZCMWLA-HZPDHXFCSA-N 2 2 352.523 0.927 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C)[NH+](C)C ZINC001208708462 853967940 /nfs/dbraw/zinc/96/79/40/853967940.db2.gz WDGRVCGHAKELRK-OAGGEKHMSA-N 2 2 361.552 0.976 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C)[NH+](C)C ZINC001208708462 853967944 /nfs/dbraw/zinc/96/79/44/853967944.db2.gz WDGRVCGHAKELRK-OAGGEKHMSA-N 2 2 361.552 0.976 20 0 FCADLP Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC001209220088 854006195 /nfs/dbraw/zinc/00/61/95/854006195.db2.gz IHOWZZCCVAPURA-UHFFFAOYSA-N 2 2 354.520 0.851 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210528670 854116520 /nfs/dbraw/zinc/11/65/20/854116520.db2.gz BLKUNOALYWMDEQ-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210528670 854116522 /nfs/dbraw/zinc/11/65/22/854116522.db2.gz BLKUNOALYWMDEQ-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210528670 854116525 /nfs/dbraw/zinc/11/65/25/854116525.db2.gz BLKUNOALYWMDEQ-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC001210528670 854116528 /nfs/dbraw/zinc/11/65/28/854116528.db2.gz BLKUNOALYWMDEQ-CHWSQXEVSA-N 2 2 366.428 0.785 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210528890 854116987 /nfs/dbraw/zinc/11/69/87/854116987.db2.gz LNPLNRNBGVJRIS-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210528890 854116992 /nfs/dbraw/zinc/11/69/92/854116992.db2.gz LNPLNRNBGVJRIS-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210528890 854116997 /nfs/dbraw/zinc/11/69/97/854116997.db2.gz LNPLNRNBGVJRIS-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001210528890 854117003 /nfs/dbraw/zinc/11/70/03/854117003.db2.gz LNPLNRNBGVJRIS-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031731 854147874 /nfs/dbraw/zinc/14/78/74/854147874.db2.gz MPOWAXFAMISWDF-HUUCEWRRSA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001211031731 854147876 /nfs/dbraw/zinc/14/78/76/854147876.db2.gz MPOWAXFAMISWDF-HUUCEWRRSA-N 2 2 357.520 0.344 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211032301 854147918 /nfs/dbraw/zinc/14/79/18/854147918.db2.gz YRKSJZKJWDYNEW-BZUAXINKSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211032301 854147919 /nfs/dbraw/zinc/14/79/19/854147919.db2.gz YRKSJZKJWDYNEW-BZUAXINKSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211032301 854147920 /nfs/dbraw/zinc/14/79/20/854147920.db2.gz YRKSJZKJWDYNEW-BZUAXINKSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211032301 854147921 /nfs/dbraw/zinc/14/79/21/854147921.db2.gz YRKSJZKJWDYNEW-BZUAXINKSA-N 2 2 359.536 0.588 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039176 854149128 /nfs/dbraw/zinc/14/91/28/854149128.db2.gz PIBOMOGLSPMMDL-UKRRQHHQSA-N 2 2 356.492 0.453 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039176 854149131 /nfs/dbraw/zinc/14/91/31/854149131.db2.gz PIBOMOGLSPMMDL-UKRRQHHQSA-N 2 2 356.492 0.453 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410037 854466938 /nfs/dbraw/zinc/46/69/38/854466938.db2.gz MNKVAJFEFNPRLB-OIISXLGYSA-N 2 2 350.463 0.947 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410037 854466944 /nfs/dbraw/zinc/46/69/44/854466944.db2.gz MNKVAJFEFNPRLB-OIISXLGYSA-N 2 2 350.463 0.947 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1OC)[NH+](C)C ZINC001212462353 854488555 /nfs/dbraw/zinc/48/85/55/854488555.db2.gz BURHRDOYXWYQEC-RBSFLKMASA-N 2 2 357.886 0.692 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1OC)[NH+](C)C ZINC001212462353 854488558 /nfs/dbraw/zinc/48/85/58/854488558.db2.gz BURHRDOYXWYQEC-RBSFLKMASA-N 2 2 357.886 0.692 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485008 854497029 /nfs/dbraw/zinc/49/70/29/854497029.db2.gz NXZJPVHICXSWFF-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485008 854497035 /nfs/dbraw/zinc/49/70/35/854497035.db2.gz NXZJPVHICXSWFF-DJIMGWMZSA-N 2 2 350.463 0.688 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483715 854497226 /nfs/dbraw/zinc/49/72/26/854497226.db2.gz PLJDYHUAZDOULG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483715 854497227 /nfs/dbraw/zinc/49/72/27/854497227.db2.gz PLJDYHUAZDOULG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483715 854497228 /nfs/dbraw/zinc/49/72/28/854497228.db2.gz PLJDYHUAZDOULG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483715 854497229 /nfs/dbraw/zinc/49/72/29/854497229.db2.gz PLJDYHUAZDOULG-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212487238 854499151 /nfs/dbraw/zinc/49/91/51/854499151.db2.gz XNVTUOAOVHLPNB-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001212487238 854499159 /nfs/dbraw/zinc/49/91/59/854499159.db2.gz XNVTUOAOVHLPNB-BZUAXINKSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495852 854501641 /nfs/dbraw/zinc/50/16/41/854501641.db2.gz QKNFOWXJCGENGY-HZPDHXFCSA-N 2 2 354.451 0.592 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001212495852 854501646 /nfs/dbraw/zinc/50/16/46/854501646.db2.gz QKNFOWXJCGENGY-HZPDHXFCSA-N 2 2 354.451 0.592 20 0 FCADLP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203049 854531523 /nfs/dbraw/zinc/53/15/23/854531523.db2.gz KNCMDVXQMYGSCY-ARFHVFGLSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203049 854531530 /nfs/dbraw/zinc/53/15/30/854531530.db2.gz KNCMDVXQMYGSCY-ARFHVFGLSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203837 854532138 /nfs/dbraw/zinc/53/21/38/854532138.db2.gz ZDUKVNLRLGBQLW-BZUAXINKSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203837 854532144 /nfs/dbraw/zinc/53/21/44/854532144.db2.gz ZDUKVNLRLGBQLW-BZUAXINKSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346526 854583754 /nfs/dbraw/zinc/58/37/54/854583754.db2.gz QXEVULATVHQVOW-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346526 854583760 /nfs/dbraw/zinc/58/37/60/854583760.db2.gz QXEVULATVHQVOW-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374508 854592856 /nfs/dbraw/zinc/59/28/56/854592856.db2.gz JMWFQKPVIDAJPB-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374508 854592862 /nfs/dbraw/zinc/59/28/62/854592862.db2.gz JMWFQKPVIDAJPB-RBSFLKMASA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378452 854595083 /nfs/dbraw/zinc/59/50/83/854595083.db2.gz RGGVYAOOTLHOAJ-IAGOWNOFSA-N 2 2 353.438 0.585 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378452 854595086 /nfs/dbraw/zinc/59/50/86/854595086.db2.gz RGGVYAOOTLHOAJ-IAGOWNOFSA-N 2 2 353.438 0.585 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446372 854619692 /nfs/dbraw/zinc/61/96/92/854619692.db2.gz JWBIXDRRVPSRRL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446372 854619694 /nfs/dbraw/zinc/61/96/94/854619694.db2.gz JWBIXDRRVPSRRL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446372 854619701 /nfs/dbraw/zinc/61/97/01/854619701.db2.gz JWBIXDRRVPSRRL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccnn2C)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446372 854619704 /nfs/dbraw/zinc/61/97/04/854619704.db2.gz JWBIXDRRVPSRRL-HZPDHXFCSA-N 2 2 351.495 0.713 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001213457930 854625364 /nfs/dbraw/zinc/62/53/64/854625364.db2.gz HYTMQCAQMFURMW-KCYZZUKISA-N 2 2 350.463 0.766 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581267 854675625 /nfs/dbraw/zinc/67/56/25/854675625.db2.gz TYLOEGIPZOOQKE-IAGOWNOFSA-N 2 2 357.495 0.197 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581267 854675630 /nfs/dbraw/zinc/67/56/30/854675630.db2.gz TYLOEGIPZOOQKE-IAGOWNOFSA-N 2 2 357.495 0.197 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213588784 854677730 /nfs/dbraw/zinc/67/77/30/854677730.db2.gz TXRSYJCKAVDYDO-BZUAXINKSA-N 2 2 356.511 0.578 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213588784 854677731 /nfs/dbraw/zinc/67/77/31/854677731.db2.gz TXRSYJCKAVDYDO-BZUAXINKSA-N 2 2 356.511 0.578 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213588784 854677732 /nfs/dbraw/zinc/67/77/32/854677732.db2.gz TXRSYJCKAVDYDO-BZUAXINKSA-N 2 2 356.511 0.578 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001213588784 854677733 /nfs/dbraw/zinc/67/77/33/854677733.db2.gz TXRSYJCKAVDYDO-BZUAXINKSA-N 2 2 356.511 0.578 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213599003 854680638 /nfs/dbraw/zinc/68/06/38/854680638.db2.gz PQBLJBGQPFBMJM-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001213599003 854680640 /nfs/dbraw/zinc/68/06/40/854680640.db2.gz PQBLJBGQPFBMJM-BZUAXINKSA-N 2 2 356.511 0.304 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213599301 854680728 /nfs/dbraw/zinc/68/07/28/854680728.db2.gz ZPRRVGCFRSLRFL-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213599301 854680730 /nfs/dbraw/zinc/68/07/30/854680730.db2.gz ZPRRVGCFRSLRFL-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671846 854710138 /nfs/dbraw/zinc/71/01/38/854710138.db2.gz UAQXTHYWWQZFKP-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671846 854710146 /nfs/dbraw/zinc/71/01/46/854710146.db2.gz UAQXTHYWWQZFKP-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671846 854710150 /nfs/dbraw/zinc/71/01/50/854710150.db2.gz UAQXTHYWWQZFKP-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671846 854710160 /nfs/dbraw/zinc/71/01/60/854710160.db2.gz UAQXTHYWWQZFKP-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719037 854734032 /nfs/dbraw/zinc/73/40/32/854734032.db2.gz KSGHOFSLPUGHHU-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719037 854734039 /nfs/dbraw/zinc/73/40/39/854734039.db2.gz KSGHOFSLPUGHHU-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213719037 854734045 /nfs/dbraw/zinc/73/40/45/854734045.db2.gz KSGHOFSLPUGHHU-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213719037 854734051 /nfs/dbraw/zinc/73/40/51/854734051.db2.gz KSGHOFSLPUGHHU-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730690 854740598 /nfs/dbraw/zinc/74/05/98/854740598.db2.gz VEZHGGHAGWGYNP-HUUCEWRRSA-N 2 2 356.492 0.345 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730690 854740607 /nfs/dbraw/zinc/74/06/07/854740607.db2.gz VEZHGGHAGWGYNP-HUUCEWRRSA-N 2 2 356.492 0.345 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860073 854796445 /nfs/dbraw/zinc/79/64/45/854796445.db2.gz RNOQQQLEESTRLN-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860073 854796451 /nfs/dbraw/zinc/79/64/51/854796451.db2.gz RNOQQQLEESTRLN-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916705 854822477 /nfs/dbraw/zinc/82/24/77/854822477.db2.gz FSJOIZBICBGSFE-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213916705 854822485 /nfs/dbraw/zinc/82/24/85/854822485.db2.gz FSJOIZBICBGSFE-HZPDHXFCSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001213925973 854827868 /nfs/dbraw/zinc/82/78/68/854827868.db2.gz ZLNBIXSQGWCARI-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001213925973 854827870 /nfs/dbraw/zinc/82/78/70/854827870.db2.gz ZLNBIXSQGWCARI-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001213925973 854827872 /nfs/dbraw/zinc/82/78/72/854827872.db2.gz ZLNBIXSQGWCARI-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1OC ZINC001213925973 854827873 /nfs/dbraw/zinc/82/78/73/854827873.db2.gz ZLNBIXSQGWCARI-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929791 854830657 /nfs/dbraw/zinc/83/06/57/854830657.db2.gz LJYAYRCLZCEANH-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929791 854830658 /nfs/dbraw/zinc/83/06/58/854830658.db2.gz LJYAYRCLZCEANH-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929791 854830663 /nfs/dbraw/zinc/83/06/63/854830663.db2.gz LJYAYRCLZCEANH-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929791 854830667 /nfs/dbraw/zinc/83/06/67/854830667.db2.gz LJYAYRCLZCEANH-ARFHVFGLSA-N 2 2 356.511 0.447 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974114 854850832 /nfs/dbraw/zinc/85/08/32/854850832.db2.gz IYJDNBWMHPVQCB-BZUAXINKSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974114 854850839 /nfs/dbraw/zinc/85/08/39/854850839.db2.gz IYJDNBWMHPVQCB-BZUAXINKSA-N 2 2 354.495 0.332 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)CS(C)(=O)=O ZINC001214531102 854964373 /nfs/dbraw/zinc/96/43/73/854964373.db2.gz OGRWHZCMJBNACS-MGPQQGTHSA-N 2 2 356.492 0.460 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814113 855018002 /nfs/dbraw/zinc/01/80/02/855018002.db2.gz GTWFEEKQGFBJLE-HYVNUMGLSA-N 2 2 352.479 0.812 20 0 FCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814113 855018007 /nfs/dbraw/zinc/01/80/07/855018007.db2.gz GTWFEEKQGFBJLE-HYVNUMGLSA-N 2 2 352.479 0.812 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001215226970 855085715 /nfs/dbraw/zinc/08/57/15/855085715.db2.gz WIHAJFUSGTYZGU-KBAYOESNSA-N 2 2 353.507 0.960 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001215226970 855085719 /nfs/dbraw/zinc/08/57/19/855085719.db2.gz WIHAJFUSGTYZGU-KBAYOESNSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)[NH+]1CCCC1 ZINC001215598511 855131737 /nfs/dbraw/zinc/13/17/37/855131737.db2.gz CLHNKBZIWUJCTR-IJEWVQPXSA-N 2 2 367.519 0.976 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001215854841 855151350 /nfs/dbraw/zinc/15/13/50/855151350.db2.gz KPFJNKKIZFJPEO-UMVBOHGHSA-N 2 2 356.492 0.460 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001215854841 855151358 /nfs/dbraw/zinc/15/13/58/855151358.db2.gz KPFJNKKIZFJPEO-UMVBOHGHSA-N 2 2 356.492 0.460 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCOC[C@@H]1CCCCO1 ZINC001216064600 855167509 /nfs/dbraw/zinc/16/75/09/855167509.db2.gz CYWLHKRKWWHOHX-OWCLPIDISA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001216392932 855198756 /nfs/dbraw/zinc/19/87/56/855198756.db2.gz UGGHOLNBDMUMKO-DJIMGWMZSA-N 2 2 350.463 0.595 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCCNC(=O)C(F)(F)F ZINC001217001413 855274929 /nfs/dbraw/zinc/27/49/29/855274929.db2.gz UIYWODFGQMHZJR-VXGBXAGGSA-N 2 2 361.368 0.388 20 0 FCADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217010516 855275406 /nfs/dbraw/zinc/27/54/06/855275406.db2.gz RLBBLRIWHPEXFP-HUUCEWRRSA-N 2 2 356.492 0.533 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nccc(Cl)c1I ZINC001218529708 855435200 /nfs/dbraw/zinc/43/52/00/855435200.db2.gz MOSRRULVNNKTJY-FSPLSTOPSA-N 2 2 366.590 0.825 20 0 FCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nccc(Cl)c1I ZINC001218529270 855435230 /nfs/dbraw/zinc/43/52/30/855435230.db2.gz HMAMYMJXIWSNTB-LURJTMIESA-N 2 2 354.579 0.954 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2nccc(Cl)c2I)C1 ZINC001218529646 855435344 /nfs/dbraw/zinc/43/53/44/855435344.db2.gz MBHAUFRPHLJEEW-FSPLSTOPSA-N 2 2 366.590 0.967 20 0 FCADLP CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218549908 855437786 /nfs/dbraw/zinc/43/77/86/855437786.db2.gz YLIDXSGVJIKXRV-VIFPVBQESA-N 2 2 356.448 0.550 20 0 FCADLP Cn1cc(I)c2c1ncnc2NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218604015 855447384 /nfs/dbraw/zinc/44/73/84/855447384.db2.gz KHUXLVQPDKVAHY-ZETCQYMHSA-N 2 2 374.186 0.188 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645441 855457327 /nfs/dbraw/zinc/45/73/27/855457327.db2.gz GOBFVYOJGAGPQH-SOUVJXGZSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645441 855457331 /nfs/dbraw/zinc/45/73/31/855457331.db2.gz GOBFVYOJGAGPQH-SOUVJXGZSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645441 855457332 /nfs/dbraw/zinc/45/73/32/855457332.db2.gz GOBFVYOJGAGPQH-SOUVJXGZSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645441 855457335 /nfs/dbraw/zinc/45/73/35/855457335.db2.gz GOBFVYOJGAGPQH-SOUVJXGZSA-N 2 2 354.495 0.140 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1 ZINC001218698514 855466279 /nfs/dbraw/zinc/46/62/79/855466279.db2.gz IXUQJVNMARDCFO-GFCCVEGCSA-N 2 2 350.810 0.803 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc(Cl)nc(N2CCOCC2)c1 ZINC001218697691 855466354 /nfs/dbraw/zinc/46/63/54/855466354.db2.gz BLODLEDXJRDTOG-UHFFFAOYSA-N 2 2 353.854 0.852 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789941 855478987 /nfs/dbraw/zinc/47/89/87/855478987.db2.gz XITCBOPPRACZEF-DLBZAZTESA-N 2 2 355.479 0.045 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789941 855478991 /nfs/dbraw/zinc/47/89/91/855478991.db2.gz XITCBOPPRACZEF-DLBZAZTESA-N 2 2 355.479 0.045 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218819922 855482063 /nfs/dbraw/zinc/48/20/63/855482063.db2.gz RWCXFISEWUATHC-RRFJBIMHSA-N 2 2 361.433 0.664 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001218819922 855482065 /nfs/dbraw/zinc/48/20/65/855482065.db2.gz RWCXFISEWUATHC-RRFJBIMHSA-N 2 2 361.433 0.664 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006632 855511223 /nfs/dbraw/zinc/51/12/23/855511223.db2.gz PPUKVQXQBBQTKQ-MELADBBJSA-N 2 2 367.412 0.553 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006632 855511228 /nfs/dbraw/zinc/51/12/28/855511228.db2.gz PPUKVQXQBBQTKQ-MELADBBJSA-N 2 2 367.412 0.553 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006632 855511230 /nfs/dbraw/zinc/51/12/30/855511230.db2.gz PPUKVQXQBBQTKQ-MELADBBJSA-N 2 2 367.412 0.553 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]21 ZINC001219006632 855511235 /nfs/dbraw/zinc/51/12/35/855511235.db2.gz PPUKVQXQBBQTKQ-MELADBBJSA-N 2 2 367.412 0.553 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033396 855518456 /nfs/dbraw/zinc/51/84/56/855518456.db2.gz JDNWKYMAUDEPSQ-HRCADAONSA-N 2 2 352.479 0.038 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033396 855518459 /nfs/dbraw/zinc/51/84/59/855518459.db2.gz JDNWKYMAUDEPSQ-HRCADAONSA-N 2 2 352.479 0.038 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052308 855526418 /nfs/dbraw/zinc/52/64/18/855526418.db2.gz SKJCEVXATMYACP-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052308 855526421 /nfs/dbraw/zinc/52/64/21/855526421.db2.gz SKJCEVXATMYACP-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052308 855526426 /nfs/dbraw/zinc/52/64/26/855526426.db2.gz SKJCEVXATMYACP-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052308 855526428 /nfs/dbraw/zinc/52/64/28/855526428.db2.gz SKJCEVXATMYACP-HRCADAONSA-N 2 2 354.495 0.153 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(OC)n1 ZINC001279158995 862702371 /nfs/dbraw/zinc/70/23/71/862702371.db2.gz URWDAKSUDAYYSW-HOTGVXAUSA-N 2 2 350.463 0.545 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(OC)n1 ZINC001279158995 862702378 /nfs/dbraw/zinc/70/23/78/862702378.db2.gz URWDAKSUDAYYSW-HOTGVXAUSA-N 2 2 350.463 0.545 20 0 FCADLP [NH3+]C1(C(=O)Nc2ccc(Br)c3c2C(=O)NC3)CC[NH2+]CC1 ZINC001219444126 855672971 /nfs/dbraw/zinc/67/29/71/855672971.db2.gz MVTKVMNEZURSQM-UHFFFAOYSA-N 2 2 353.220 0.712 20 0 FCADLP COC(Cc1ccc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1)OC ZINC001219443925 855673216 /nfs/dbraw/zinc/67/32/16/855673216.db2.gz CZIKRRFNDHBPCA-INIZCTEOSA-N 2 2 350.463 0.537 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001219453669 855677160 /nfs/dbraw/zinc/67/71/60/855677160.db2.gz MZWHQUVLXJTEES-NJZAAPMLSA-N 2 2 355.385 0.972 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@H]1C[NH2+]CC[C@H]1O ZINC001219454779 855677946 /nfs/dbraw/zinc/67/79/46/855677946.db2.gz YHYHQXWMXBXVIK-RRFJBIMHSA-N 2 2 355.385 0.972 20 0 FCADLP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219565804 855716357 /nfs/dbraw/zinc/71/63/57/855716357.db2.gz ODMCGYNAYCAKQA-ZBEGNZNMSA-N 2 2 350.854 0.167 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001219732487 855791405 /nfs/dbraw/zinc/79/14/05/855791405.db2.gz VVRLLAGMLBISLG-ZACQAIPSSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@@H]1O ZINC001219732487 855791413 /nfs/dbraw/zinc/79/14/13/855791413.db2.gz VVRLLAGMLBISLG-ZACQAIPSSA-N 2 2 352.454 0.731 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805295 855823115 /nfs/dbraw/zinc/82/31/15/855823115.db2.gz AKVZUNMMCHUGCU-FRRDWIJNSA-N 2 2 353.385 0.067 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)C1CC1 ZINC001219805295 855823118 /nfs/dbraw/zinc/82/31/18/855823118.db2.gz AKVZUNMMCHUGCU-FRRDWIJNSA-N 2 2 353.385 0.067 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)sn1 ZINC001219830145 855834844 /nfs/dbraw/zinc/83/48/44/855834844.db2.gz OSTHVYZFBDWWGQ-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)sn1 ZINC001219830145 855834851 /nfs/dbraw/zinc/83/48/51/855834851.db2.gz OSTHVYZFBDWWGQ-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)sn1 ZINC001219830145 855834855 /nfs/dbraw/zinc/83/48/55/855834855.db2.gz OSTHVYZFBDWWGQ-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)sn1 ZINC001219830145 855834861 /nfs/dbraw/zinc/83/48/61/855834861.db2.gz OSTHVYZFBDWWGQ-IMJJTQAJSA-N 2 2 352.504 0.987 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894164 855866964 /nfs/dbraw/zinc/86/69/64/855866964.db2.gz XBIXPCWULZYKQT-UAGQMJEPSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894164 855866971 /nfs/dbraw/zinc/86/69/71/855866971.db2.gz XBIXPCWULZYKQT-UAGQMJEPSA-N 2 2 350.463 0.279 20 0 FCADLP CS(=O)(=O)N(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1ccc(C[NH3+])cc1 ZINC001219939132 855888734 /nfs/dbraw/zinc/88/87/34/855888734.db2.gz SGKNHAFACGKKDB-INIZCTEOSA-N 3 2 362.455 0.710 20 0 FCADLP CS(=O)(=O)N(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)c1ccc(C[NH3+])cc1 ZINC001219938784 855888788 /nfs/dbraw/zinc/88/87/88/855888788.db2.gz DWBJSFIYVFZFDZ-ZALBZXLWSA-N 2 2 355.460 0.316 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC001219965430 855899869 /nfs/dbraw/zinc/89/98/69/855899869.db2.gz NLKPSMGNYXKBSP-GRYCIOLGSA-N 2 2 356.220 0.469 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCC([NH3+])CC1 ZINC001220039841 855929533 /nfs/dbraw/zinc/92/95/33/855929533.db2.gz VNHRWJZJUPYLQG-XKZABGERSA-N 3 2 351.451 0.378 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CC1 ZINC001220051645 855933307 /nfs/dbraw/zinc/93/33/07/855933307.db2.gz KGBRFHZMRUXNTF-OWCLPIDISA-N 2 2 350.463 0.329 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1)C1CC1 ZINC001220051645 855933312 /nfs/dbraw/zinc/93/33/12/855933312.db2.gz KGBRFHZMRUXNTF-OWCLPIDISA-N 2 2 350.463 0.329 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)o1 ZINC001220078416 855948882 /nfs/dbraw/zinc/94/88/82/855948882.db2.gz PKFGSFOMANLQHZ-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)o1 ZINC001220078416 855948884 /nfs/dbraw/zinc/94/88/84/855948884.db2.gz PKFGSFOMANLQHZ-CVEARBPZSA-N 2 2 350.463 0.909 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220342439 856075659 /nfs/dbraw/zinc/07/56/59/856075659.db2.gz BWLPCHSQBJSUAT-IKGGRYGDSA-N 2 2 351.495 0.510 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O)[NH+](CC)CC ZINC001220342439 856075667 /nfs/dbraw/zinc/07/56/67/856075667.db2.gz BWLPCHSQBJSUAT-IKGGRYGDSA-N 2 2 351.495 0.510 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c(C)s1 ZINC001220553258 856181244 /nfs/dbraw/zinc/18/12/44/856181244.db2.gz FBPZOVRKFRGTIG-SJORKVTESA-N 2 2 367.515 0.749 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCOCC3)[C@@H](O)C2)c(C)s1 ZINC001220553258 856181248 /nfs/dbraw/zinc/18/12/48/856181248.db2.gz FBPZOVRKFRGTIG-SJORKVTESA-N 2 2 367.515 0.749 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220816885 856318984 /nfs/dbraw/zinc/31/89/84/856318984.db2.gz FSZCDGMIFDUDTH-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220816885 856318990 /nfs/dbraw/zinc/31/89/90/856318990.db2.gz FSZCDGMIFDUDTH-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220816885 856318996 /nfs/dbraw/zinc/31/89/96/856318996.db2.gz FSZCDGMIFDUDTH-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OCC)n2)C[C@@H]1O ZINC001220816885 856319001 /nfs/dbraw/zinc/31/90/01/856319001.db2.gz FSZCDGMIFDUDTH-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C2)o1 ZINC001220817048 856319469 /nfs/dbraw/zinc/31/94/69/856319469.db2.gz LYYSUHWJGGTFBE-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C2)o1 ZINC001220817048 856319485 /nfs/dbraw/zinc/31/94/85/856319485.db2.gz LYYSUHWJGGTFBE-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C2)o1 ZINC001220817048 856319498 /nfs/dbraw/zinc/31/94/98/856319498.db2.gz LYYSUHWJGGTFBE-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C2)o1 ZINC001220817048 856319508 /nfs/dbraw/zinc/31/95/08/856319508.db2.gz LYYSUHWJGGTFBE-CABCVRRESA-N 2 2 352.479 0.939 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220822365 856323344 /nfs/dbraw/zinc/32/33/44/856323344.db2.gz VLBKPGWXAMNDRT-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220822365 856323349 /nfs/dbraw/zinc/32/33/49/856323349.db2.gz VLBKPGWXAMNDRT-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220822365 856323353 /nfs/dbraw/zinc/32/33/53/856323353.db2.gz VLBKPGWXAMNDRT-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@@H]1O ZINC001220822365 856323360 /nfs/dbraw/zinc/32/33/60/856323360.db2.gz VLBKPGWXAMNDRT-CVEARBPZSA-N 2 2 353.438 0.837 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001220826105 856326657 /nfs/dbraw/zinc/32/66/57/856326657.db2.gz NDICUFVWQDQHSK-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001220826105 856326665 /nfs/dbraw/zinc/32/66/65/856326665.db2.gz NDICUFVWQDQHSK-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001220826105 856326667 /nfs/dbraw/zinc/32/66/67/856326667.db2.gz NDICUFVWQDQHSK-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@@H]1O ZINC001220826105 856326671 /nfs/dbraw/zinc/32/66/71/856326671.db2.gz NDICUFVWQDQHSK-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091396 856458559 /nfs/dbraw/zinc/45/85/59/856458559.db2.gz MXZVAEZNLPWJJR-XHSDSOJGSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091396 856458569 /nfs/dbraw/zinc/45/85/69/856458569.db2.gz MXZVAEZNLPWJJR-XHSDSOJGSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091396 856458580 /nfs/dbraw/zinc/45/85/80/856458580.db2.gz MXZVAEZNLPWJJR-XHSDSOJGSA-N 2 2 356.511 0.039 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091396 856458584 /nfs/dbraw/zinc/45/85/84/856458584.db2.gz MXZVAEZNLPWJJR-XHSDSOJGSA-N 2 2 356.511 0.039 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CCC1 ZINC001221161258 856491641 /nfs/dbraw/zinc/49/16/41/856491641.db2.gz DBTWQWOWTCZVCR-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CCC1 ZINC001221161258 856491645 /nfs/dbraw/zinc/49/16/45/856491645.db2.gz DBTWQWOWTCZVCR-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP [NH3+]CCCP(CCCNC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001221271761 856534809 /nfs/dbraw/zinc/53/48/09/856534809.db2.gz HVYBEOHUCQTZDO-UHFFFAOYSA-N 3 2 350.447 0.730 20 0 FCADLP Cn1ncc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(Br)c1=O ZINC001221401115 856558273 /nfs/dbraw/zinc/55/82/73/856558273.db2.gz CYWPYMHGZQRWPE-JTQLQIEISA-N 2 2 366.219 0.754 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587741 856614355 /nfs/dbraw/zinc/61/43/55/856614355.db2.gz GTIVFKDWLXEULS-OWCLPIDISA-N 2 2 356.486 0.677 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587741 856614359 /nfs/dbraw/zinc/61/43/59/856614359.db2.gz GTIVFKDWLXEULS-OWCLPIDISA-N 2 2 356.486 0.677 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587854 856614427 /nfs/dbraw/zinc/61/44/27/856614427.db2.gz KVOFDDNKBDZSQX-OWCLPIDISA-N 2 2 356.486 0.725 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587854 856614432 /nfs/dbraw/zinc/61/44/32/856614432.db2.gz KVOFDDNKBDZSQX-OWCLPIDISA-N 2 2 356.486 0.725 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001221641433 856634248 /nfs/dbraw/zinc/63/42/48/856634248.db2.gz OWIVGAIJXPEARH-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21)[NH+](C)C ZINC001221641433 856634254 /nfs/dbraw/zinc/63/42/54/856634254.db2.gz OWIVGAIJXPEARH-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001221798658 856687785 /nfs/dbraw/zinc/68/77/85/856687785.db2.gz LLUOQNIUPOWPSW-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC001221798658 856687792 /nfs/dbraw/zinc/68/77/92/856687792.db2.gz LLUOQNIUPOWPSW-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883078 856721569 /nfs/dbraw/zinc/72/15/69/856721569.db2.gz OUAOTSNDJZGPSQ-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883078 856721573 /nfs/dbraw/zinc/72/15/73/856721573.db2.gz OUAOTSNDJZGPSQ-GVDBMIGSSA-N 2 2 371.547 0.686 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221919339 856732282 /nfs/dbraw/zinc/73/22/82/856732282.db2.gz JQMCKPIQFJFQRQ-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221919339 856732284 /nfs/dbraw/zinc/73/22/84/856732284.db2.gz JQMCKPIQFJFQRQ-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221919339 856732288 /nfs/dbraw/zinc/73/22/88/856732288.db2.gz JQMCKPIQFJFQRQ-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001221919339 856732292 /nfs/dbraw/zinc/73/22/92/856732292.db2.gz JQMCKPIQFJFQRQ-HZPDHXFCSA-N 2 2 371.547 0.686 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221947254 856744552 /nfs/dbraw/zinc/74/45/52/856744552.db2.gz ZUUHWGQIEIEVTB-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21 ZINC001221947254 856744562 /nfs/dbraw/zinc/74/45/62/856744562.db2.gz ZUUHWGQIEIEVTB-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014176 856768842 /nfs/dbraw/zinc/76/88/42/856768842.db2.gz UYLSUQITNLSZHO-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014176 856768848 /nfs/dbraw/zinc/76/88/48/856768848.db2.gz UYLSUQITNLSZHO-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014176 856768853 /nfs/dbraw/zinc/76/88/53/856768853.db2.gz UYLSUQITNLSZHO-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014176 856768858 /nfs/dbraw/zinc/76/88/58/856768858.db2.gz UYLSUQITNLSZHO-BFYDXBDKSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222018285 856769867 /nfs/dbraw/zinc/76/98/67/856769867.db2.gz VQGVZQMRSVVRAC-NUEKZKHPSA-N 2 2 368.503 0.405 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001222018285 856769869 /nfs/dbraw/zinc/76/98/69/856769869.db2.gz VQGVZQMRSVVRAC-NUEKZKHPSA-N 2 2 368.503 0.405 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053676 856788617 /nfs/dbraw/zinc/78/86/17/856788617.db2.gz XNOLJAKPXOXBRK-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053676 856788627 /nfs/dbraw/zinc/78/86/27/856788627.db2.gz XNOLJAKPXOXBRK-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053676 856788636 /nfs/dbraw/zinc/78/86/36/856788636.db2.gz XNOLJAKPXOXBRK-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001222053676 856788641 /nfs/dbraw/zinc/78/86/41/856788641.db2.gz XNOLJAKPXOXBRK-BRWVUGGUSA-N 2 2 371.547 0.684 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001222598542 856857241 /nfs/dbraw/zinc/85/72/41/856857241.db2.gz OEEAKQUUXPTESS-CABCVRRESA-N 2 2 368.503 0.700 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001222598542 856857243 /nfs/dbraw/zinc/85/72/43/856857243.db2.gz OEEAKQUUXPTESS-CABCVRRESA-N 2 2 368.503 0.700 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001225962001 857074032 /nfs/dbraw/zinc/07/40/32/857074032.db2.gz ULPOQJPKPJFUKX-RBSFLKMASA-N 2 2 368.503 0.794 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226697505 857122127 /nfs/dbraw/zinc/12/21/27/857122127.db2.gz XKBNMTOAWLXUCK-HUUCEWRRSA-N 2 2 356.492 0.794 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226697505 857122129 /nfs/dbraw/zinc/12/21/29/857122129.db2.gz XKBNMTOAWLXUCK-HUUCEWRRSA-N 2 2 356.492 0.794 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001227019322 857137323 /nfs/dbraw/zinc/13/73/23/857137323.db2.gz MAWIOQFTDWLZHD-BZUAXINKSA-N 2 2 352.479 0.951 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954157 857186447 /nfs/dbraw/zinc/18/64/47/857186447.db2.gz PDEKQQAXXOVPDM-SQWLQELKSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954157 857186452 /nfs/dbraw/zinc/18/64/52/857186452.db2.gz PDEKQQAXXOVPDM-SQWLQELKSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1)[NH+](CC)CC ZINC001228559266 857215341 /nfs/dbraw/zinc/21/53/41/857215341.db2.gz OTQVREVFJVEKGD-KFWWJZLASA-N 2 2 351.499 0.848 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228800988 857230398 /nfs/dbraw/zinc/23/03/98/857230398.db2.gz UFRHUEGGHOFLEI-HUUCEWRRSA-N 2 2 371.507 0.251 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141729 857252755 /nfs/dbraw/zinc/25/27/55/857252755.db2.gz JVVGOORHKGNHCL-HUUCEWRRSA-N 2 2 350.467 0.054 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCOCC2)nn1 ZINC001229142478 857253478 /nfs/dbraw/zinc/25/34/78/857253478.db2.gz UZACULHWGSLSFS-HZPDHXFCSA-N 2 2 350.467 0.054 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)NCC(F)(F)F ZINC001229301440 857264407 /nfs/dbraw/zinc/26/44/07/857264407.db2.gz QXQDOCRONVOCHT-GHMZBOCLSA-N 2 2 361.368 0.648 20 0 FCADLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCS(=O)(=O)CC1 ZINC001232362495 857372090 /nfs/dbraw/zinc/37/20/90/857372090.db2.gz XCWDTDQHHZYPEP-UHFFFAOYSA-N 2 2 352.504 0.842 20 0 FCADLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCS(=O)(=O)CC1 ZINC001232362495 857372091 /nfs/dbraw/zinc/37/20/91/857372091.db2.gz XCWDTDQHHZYPEP-UHFFFAOYSA-N 2 2 352.504 0.842 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)O1 ZINC001235581707 857428411 /nfs/dbraw/zinc/42/84/11/857428411.db2.gz QEKMPSJWTMVIFE-JYJNAYRXSA-N 2 2 365.499 0.963 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)COCCN(S(C)(=O)=O)C3)O1 ZINC001235574547 857428428 /nfs/dbraw/zinc/42/84/28/857428428.db2.gz DNEPVNBOSQHUSL-AWEZNQCLSA-N 2 2 361.508 0.085 20 0 FCADLP [NH3+][C@H]1NC(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385760 857440722 /nfs/dbraw/zinc/44/07/22/857440722.db2.gz FZGFSKRVWRAMEY-KRWDZBQOSA-N 3 2 355.552 0.430 20 0 FCADLP [NH3+][C@H]1NC(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)=CS1 ZINC001236385760 857440729 /nfs/dbraw/zinc/44/07/29/857440729.db2.gz FZGFSKRVWRAMEY-KRWDZBQOSA-N 3 2 355.552 0.430 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC001239081401 857509482 /nfs/dbraw/zinc/50/94/82/857509482.db2.gz QHXQSOQGZNCYST-QGZVFWFLSA-N 2 2 368.503 0.285 20 0 FCADLP COC(=O)c1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)[C@H]2CC[NH2+]C2)c1 ZINC001239182804 857524526 /nfs/dbraw/zinc/52/45/26/857524526.db2.gz ROASDXBSPLWOLI-GJZGRUSLSA-N 2 2 353.444 0.111 20 0 FCADLP COC(=O)c1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)[C@@H]2CC[NH2+]C2)c1 ZINC001239182805 857524651 /nfs/dbraw/zinc/52/46/51/857524651.db2.gz ROASDXBSPLWOLI-HUUCEWRRSA-N 2 2 353.444 0.111 20 0 FCADLP COC(=O)c1ccccc1NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439804 857529000 /nfs/dbraw/zinc/52/90/00/857529000.db2.gz YVKSIFGJLNFMKC-UHFFFAOYSA-N 2 2 365.503 0.254 20 0 FCADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCSCc2csc(C[NH+](C)C)n2)CN1 ZINC001246218018 857571117 /nfs/dbraw/zinc/57/11/17/857571117.db2.gz YLBQIVBXLOUURB-AAEUAGOBSA-N 2 2 358.533 0.931 20 0 FCADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698628 857590798 /nfs/dbraw/zinc/59/07/98/857590798.db2.gz CCVUWHBNJQUHPF-BCDMZGRMSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698628 857590805 /nfs/dbraw/zinc/59/08/05/857590805.db2.gz CCVUWHBNJQUHPF-BCDMZGRMSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774360 857599976 /nfs/dbraw/zinc/59/99/76/857599976.db2.gz NBHWEUKXTHLPMR-SFNKJDCFSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)C[NH2+]1 ZINC001246774360 857599983 /nfs/dbraw/zinc/59/99/83/857599983.db2.gz NBHWEUKXTHLPMR-SFNKJDCFSA-N 2 2 351.491 0.857 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001251129757 857700786 /nfs/dbraw/zinc/70/07/86/857700786.db2.gz MKGZVURBUGOZRQ-QGZVFWFLSA-N 2 2 354.495 0.338 20 0 FCADLP Cc1nc(N2CC[NH+](CCO)CC2)cc(NC[C@H](O)COC(C)C)[nH+]1 ZINC001252667898 857829075 /nfs/dbraw/zinc/82/90/75/857829075.db2.gz XAQBQEMMPSHXLZ-HNNXBMFYSA-N 2 2 353.467 0.097 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252677996 857832281 /nfs/dbraw/zinc/83/22/81/857832281.db2.gz ONAWFERRQCBGDI-INIZCTEOSA-N 2 2 351.495 0.908 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001252677996 857832288 /nfs/dbraw/zinc/83/22/88/857832288.db2.gz ONAWFERRQCBGDI-INIZCTEOSA-N 2 2 351.495 0.908 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001253182439 857869492 /nfs/dbraw/zinc/86/94/92/857869492.db2.gz PPJARDTYIICVFM-WNRNVDISSA-N 2 2 353.507 0.791 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001253182439 857869493 /nfs/dbraw/zinc/86/94/93/857869493.db2.gz PPJARDTYIICVFM-WNRNVDISSA-N 2 2 353.507 0.791 20 0 FCADLP CC[NH+](CC)C[C@@H](O)CN1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001253185134 857870413 /nfs/dbraw/zinc/87/04/13/857870413.db2.gz CTYGLQDISCENHE-QGZVFWFLSA-N 2 2 354.539 0.708 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001253187271 857870434 /nfs/dbraw/zinc/87/04/34/857870434.db2.gz XQVONGCYGPNIRX-JFIYKMOQSA-N 2 2 356.511 0.584 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001253187271 857870436 /nfs/dbraw/zinc/87/04/36/857870436.db2.gz XQVONGCYGPNIRX-JFIYKMOQSA-N 2 2 356.511 0.584 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001253187585 857870462 /nfs/dbraw/zinc/87/04/62/857870462.db2.gz ZMYCBBAZWGBDEA-TVFCKZIOSA-N 2 2 353.507 0.933 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001253187585 857870465 /nfs/dbraw/zinc/87/04/65/857870465.db2.gz ZMYCBBAZWGBDEA-TVFCKZIOSA-N 2 2 353.507 0.933 20 0 FCADLP CC(C)Oc1ccccc1OC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001254017929 857933782 /nfs/dbraw/zinc/93/37/82/857933782.db2.gz CBRAVRQYSDRZCZ-OAHLLOKOSA-N 2 2 350.463 0.985 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3coc(S(N)(=O)=O)c3)CC2)CC1 ZINC001254046210 857935164 /nfs/dbraw/zinc/93/51/64/857935164.db2.gz LNUVAUGGNWTVFX-UHFFFAOYSA-N 2 2 370.475 0.215 20 0 FCADLP CCOC(=O)C[NH+]1CCC(NC2(C(=O)OCC)CC[NH+](C)CC2)CC1 ZINC001254396783 857968728 /nfs/dbraw/zinc/96/87/28/857968728.db2.gz ZNPGUGVHCGQZON-UHFFFAOYSA-N 2 2 355.479 0.631 20 0 FCADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](C)CC1)C(N)=O ZINC001256201674 858055960 /nfs/dbraw/zinc/05/59/60/858055960.db2.gz KMFBRMUNPIWVJI-GJZGRUSLSA-N 2 2 358.552 0.808 20 0 FCADLP COC(=O)CCS(=O)(=O)CC[C@@H](C)N(CC[NH+](C)C)CC[NH+](C)C ZINC001257934301 858169000 /nfs/dbraw/zinc/16/90/00/858169000.db2.gz BUIOORNEPVKSBF-OAHLLOKOSA-N 2 2 365.540 0.168 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258413292 858197394 /nfs/dbraw/zinc/19/73/94/858197394.db2.gz FXHPMZJBOARFFZ-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP CCOC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258413292 858197397 /nfs/dbraw/zinc/19/73/97/858197397.db2.gz FXHPMZJBOARFFZ-CQSZACIVSA-N 2 2 354.495 0.202 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)nc1OC ZINC001279676572 863005307 /nfs/dbraw/zinc/00/53/07/863005307.db2.gz HQURLLBPJXRHKE-RDJZCZTQSA-N 2 2 350.463 0.545 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)nc1OC ZINC001279676572 863005290 /nfs/dbraw/zinc/00/52/90/863005290.db2.gz HQURLLBPJXRHKE-RDJZCZTQSA-N 2 2 350.463 0.545 20 0 FCADLP CC[NH+](CC)CCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001263770770 859208239 /nfs/dbraw/zinc/20/82/39/859208239.db2.gz OQNCQKOAYBQPRP-OAHLLOKOSA-N 2 2 370.519 0.710 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001274408746 860745283 /nfs/dbraw/zinc/74/52/83/860745283.db2.gz PZTUICPDCOPXLZ-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC2(C[NH+](CC(=O)N(C)C)C2)C1 ZINC001274408746 860745285 /nfs/dbraw/zinc/74/52/85/860745285.db2.gz PZTUICPDCOPXLZ-INIZCTEOSA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274909035 860869565 /nfs/dbraw/zinc/86/95/65/860869565.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 2 2 352.523 0.318 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274909035 860869566 /nfs/dbraw/zinc/86/95/66/860869566.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 2 2 352.523 0.318 20 0 FCADLP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274909035 860869569 /nfs/dbraw/zinc/86/95/69/860869569.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 2 2 352.523 0.318 20 0 FCADLP CN(C)CC[NH+]1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274909035 860869571 /nfs/dbraw/zinc/86/95/71/860869571.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 2 2 352.523 0.318 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274909035 860869574 /nfs/dbraw/zinc/86/95/74/860869574.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 2 2 352.523 0.318 20 0 FCADLP C[NH+](C)CCN1CCC[C@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274909035 860869576 /nfs/dbraw/zinc/86/95/76/860869576.db2.gz SNXPSIWZFXWODI-LNLFQRSKSA-N 2 2 352.523 0.318 20 0 FCADLP CN(C)C(=O)C[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001279914398 863133481 /nfs/dbraw/zinc/13/34/81/863133481.db2.gz QJVDMASEQFYYKI-OAHLLOKOSA-N 2 2 368.547 0.435 20 0 FCADLP C[NH+](C)CCN1CCCC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC001280023828 863193367 /nfs/dbraw/zinc/19/33/67/863193367.db2.gz SQNJKKQTKSAORE-UHFFFAOYSA-N 2 2 352.523 0.585 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001280058693 863231077 /nfs/dbraw/zinc/23/10/77/863231077.db2.gz QXPIHBZXWQGFCB-HOTGVXAUSA-N 2 2 369.531 0.486 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001280058693 863231092 /nfs/dbraw/zinc/23/10/92/863231092.db2.gz QXPIHBZXWQGFCB-HOTGVXAUSA-N 2 2 369.531 0.486 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CCC3(C[NH+](C[C@H]4CCCO4)C3)O2)CC1 ZINC001280191915 863321639 /nfs/dbraw/zinc/32/16/39/863321639.db2.gz IPIBAZZGMZCEDG-IAGOWNOFSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCC3(C[NH+](C[C@H]4CCCCO4)C3)O2)CC1 ZINC001280206374 863336952 /nfs/dbraw/zinc/33/69/52/863336952.db2.gz YHOJKDDDUBPWCW-IAGOWNOFSA-N 2 2 351.491 0.999 20 0 FCADLP Cn1nnnc1NC(=O)[C@@H]1CCSC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001280258002 863365411 /nfs/dbraw/zinc/36/54/11/863365411.db2.gz YONAUPWUVRAWCP-STQMWFEESA-N 2 2 365.507 0.298 20 0 FCADLP Cn1nnnc1NC(=O)[C@@H]1CCSC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001280258002 863365420 /nfs/dbraw/zinc/36/54/20/863365420.db2.gz YONAUPWUVRAWCP-STQMWFEESA-N 2 2 365.507 0.298 20 0 FCADLP O=C(CC[NH2+]C1CCS(=O)(=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001350283127 866555280 /nfs/dbraw/zinc/55/52/80/866555280.db2.gz MGCVTPZVXSKMAU-UHFFFAOYSA-N 2 2 366.487 0.287 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001318895072 867771865 /nfs/dbraw/zinc/77/18/65/867771865.db2.gz TXVYZMXVPKVSOX-DZGCQCFKSA-N 2 2 360.524 0.277 20 0 FCADLP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001318895072 867771882 /nfs/dbraw/zinc/77/18/82/867771882.db2.gz TXVYZMXVPKVSOX-DZGCQCFKSA-N 2 2 360.524 0.277 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)no1 ZINC001320063072 868073775 /nfs/dbraw/zinc/07/37/75/868073775.db2.gz HOFDQQWYNITAAQ-UHFFFAOYSA-N 2 2 352.435 0.036 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324609408 869634245 /nfs/dbraw/zinc/63/42/45/869634245.db2.gz YVPJMQHLSAZXNF-ZBFHGGJFSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324609408 869634250 /nfs/dbraw/zinc/63/42/50/869634250.db2.gz YVPJMQHLSAZXNF-ZBFHGGJFSA-N 2 2 350.507 0.776 20 0 FCADLP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC001325088868 869772866 /nfs/dbraw/zinc/77/28/66/869772866.db2.gz DNXKBIQZLJVHFA-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP Cc1nn(C)c(=O)c(-c2nc(C[NH+]3CCC(O)(C[NH3+])CC3)cs2)c1C ZINC001326390234 870289774 /nfs/dbraw/zinc/28/97/74/870289774.db2.gz GKCNIKNFRKONOI-UHFFFAOYSA-N 2 2 363.487 0.806 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001326583119 870395376 /nfs/dbraw/zinc/39/53/76/870395376.db2.gz FQTZVOMWCZZXGC-HNNXBMFYSA-N 2 2 357.520 0.488 20 0 FCADLP CCN(C(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001326583119 870395397 /nfs/dbraw/zinc/39/53/97/870395397.db2.gz FQTZVOMWCZZXGC-HNNXBMFYSA-N 2 2 357.520 0.488 20 0 FCADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCF ZINC001327047350 870635281 /nfs/dbraw/zinc/63/52/81/870635281.db2.gz UPNQZMYXWSUGKC-CYBMUJFWSA-N 2 2 357.474 0.318 20 0 FCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017482 872562250 /nfs/dbraw/zinc/56/22/50/872562250.db2.gz CPPORHYRFCLYBG-GXTWGEPZSA-N 2 2 350.471 0.081 20 0 FCADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C ZINC001348017482 872562257 /nfs/dbraw/zinc/56/22/57/872562257.db2.gz CPPORHYRFCLYBG-GXTWGEPZSA-N 2 2 350.471 0.081 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC2(CCC2)C1 ZINC001348162678 872612951 /nfs/dbraw/zinc/61/29/51/872612951.db2.gz DTEOVRRQKIYFSB-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC2(CCC2)C1 ZINC001348162678 872612959 /nfs/dbraw/zinc/61/29/59/872612959.db2.gz DTEOVRRQKIYFSB-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1Cl ZINC001331089508 872953014 /nfs/dbraw/zinc/95/30/14/872953014.db2.gz HQEMQFQRBZIWDE-LALPHHSUSA-N 2 2 352.866 0.912 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1Cl ZINC001331089507 872953093 /nfs/dbraw/zinc/95/30/93/872953093.db2.gz HQEMQFQRBZIWDE-HUBLWGQQSA-N 2 2 352.866 0.912 20 0 FCADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC001331848331 873272453 /nfs/dbraw/zinc/27/24/53/873272453.db2.gz YKOPBSPINVNLJY-JKSUJKDBSA-N 2 2 362.455 0.517 20 0 FCADLP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1-c1nn[nH]n1 ZINC000826195401 947593649 /nfs/dbraw/zinc/59/36/49/947593649.db2.gz RXKPPHPLFYZGCV-UHFFFAOYSA-N 2 2 354.418 0.931 20 0 FCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918999 948862553 /nfs/dbraw/zinc/86/25/53/948862553.db2.gz TVCZNCLCELRNKD-CYBMUJFWSA-N 2 2 369.433 0.880 20 0 FCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574920178 948891862 /nfs/dbraw/zinc/89/18/62/948891862.db2.gz FBBHHTWXKCIBJZ-CYBMUJFWSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574722757 949845620 /nfs/dbraw/zinc/84/56/20/949845620.db2.gz XCVCVOQYHQJDDU-CYBMUJFWSA-N 2 2 369.433 0.619 20 0 FCADLP C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574516307 950636906 /nfs/dbraw/zinc/63/69/06/950636906.db2.gz HNSQRSVNSXHUCR-JHJVBQTASA-N 2 2 367.417 0.591 20 0 FCADLP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575927883 950761021 /nfs/dbraw/zinc/76/10/21/950761021.db2.gz VPKQCCMNZXSHMR-SWLSCSKDSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575927883 950761039 /nfs/dbraw/zinc/76/10/39/950761039.db2.gz VPKQCCMNZXSHMR-SWLSCSKDSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571025693 951456751 /nfs/dbraw/zinc/45/67/51/951456751.db2.gz FKEAOLYVUIDWEK-IUODEOHRSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571032017 951541574 /nfs/dbraw/zinc/54/15/74/951541574.db2.gz IEEIGRWCPBPQOT-OLZOCXBDSA-N 2 2 367.417 0.544 20 0 FCADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575109589 951931652 /nfs/dbraw/zinc/93/16/52/951931652.db2.gz TVTZQLAECAEQMW-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571076195 952107835 /nfs/dbraw/zinc/10/78/35/952107835.db2.gz MPJJQZHGZQENRI-MRXNPFEDSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571076195 952107837 /nfs/dbraw/zinc/10/78/37/952107837.db2.gz MPJJQZHGZQENRI-MRXNPFEDSA-N 2 2 370.461 0.783 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266024807 210266887 /nfs/dbraw/zinc/26/68/87/210266887.db2.gz PYSSFIBOEQNPHD-HZPDHXFCSA-N 2 2 373.453 0.298 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266024807 210266890 /nfs/dbraw/zinc/26/68/90/210266890.db2.gz PYSSFIBOEQNPHD-HZPDHXFCSA-N 2 2 373.453 0.298 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083132 214074961 /nfs/dbraw/zinc/07/49/61/214074961.db2.gz CONSKIAKWWXBFH-DOTOQJQBSA-N 2 2 367.515 0.772 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083132 214074965 /nfs/dbraw/zinc/07/49/65/214074965.db2.gz CONSKIAKWWXBFH-DOTOQJQBSA-N 2 2 367.515 0.772 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000292954633 214133922 /nfs/dbraw/zinc/13/39/22/214133922.db2.gz JUDDUPVGBRZVSD-UHFFFAOYSA-N 2 2 363.462 0.880 20 0 FCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040298 214140412 /nfs/dbraw/zinc/14/04/12/214140412.db2.gz SGESTMUPWOAGCR-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040298 214140414 /nfs/dbraw/zinc/14/04/14/214140414.db2.gz SGESTMUPWOAGCR-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040298 214140417 /nfs/dbraw/zinc/14/04/17/214140417.db2.gz SGESTMUPWOAGCR-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)C1 ZINC000293040298 214140419 /nfs/dbraw/zinc/14/04/19/214140419.db2.gz SGESTMUPWOAGCR-HXUWFJFHSA-N 2 2 374.485 0.585 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cnn(CC(F)F)c2)CN1CC[NH+]1CCOCC1 ZINC000293051463 214141178 /nfs/dbraw/zinc/14/11/78/214141178.db2.gz SCOXHCPCBYPHFW-AWEZNQCLSA-N 2 2 357.405 0.171 20 0 FCADLP Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000293283968 214160893 /nfs/dbraw/zinc/16/08/93/214160893.db2.gz FPQWUXZMRAFIPL-CYBMUJFWSA-N 2 2 359.430 0.666 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000294440835 214245119 /nfs/dbraw/zinc/24/51/19/214245119.db2.gz ZZVRMUJYNSMRCZ-ZDUSSCGKSA-N 2 2 350.419 0.869 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000294440835 214245122 /nfs/dbraw/zinc/24/51/22/214245122.db2.gz ZZVRMUJYNSMRCZ-ZDUSSCGKSA-N 2 2 350.419 0.869 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934704 210252415 /nfs/dbraw/zinc/25/24/15/210252415.db2.gz YWLVWAVMHRBAMX-OALUTQOASA-N 2 2 361.486 0.803 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265934704 210252419 /nfs/dbraw/zinc/25/24/19/210252419.db2.gz YWLVWAVMHRBAMX-OALUTQOASA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)(O)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000295356759 214293750 /nfs/dbraw/zinc/29/37/50/214293750.db2.gz IYBBNWGDJHGYRM-SFHVURJKSA-N 2 2 361.486 0.937 20 0 FCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296367262 214346643 /nfs/dbraw/zinc/34/66/43/214346643.db2.gz ZZPHJVKLYIDZMC-MRXNPFEDSA-N 2 2 371.441 0.774 20 0 FCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296367262 214346647 /nfs/dbraw/zinc/34/66/47/214346647.db2.gz ZZPHJVKLYIDZMC-MRXNPFEDSA-N 2 2 371.441 0.774 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297886601 214467543 /nfs/dbraw/zinc/46/75/43/214467543.db2.gz OXRDLZCIINUNJQ-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2cccc3c2OCCO3)CN1CC[NH+]1CCOCC1 ZINC000265879979 210241263 /nfs/dbraw/zinc/24/12/63/210241263.db2.gz TYVLUFFETVDPEY-INIZCTEOSA-N 2 2 361.442 0.481 20 0 FCADLP CC[C@H](C(=O)N[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC)[NH+](C)C ZINC000413428152 529616083 /nfs/dbraw/zinc/61/60/83/529616083.db2.gz PLQTZELQOAOEGV-XHSDSOJGSA-N 2 2 356.511 0.306 20 0 FCADLP COc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000265856425 210235813 /nfs/dbraw/zinc/23/58/13/210235813.db2.gz LFCNMJOASWQBQH-INIZCTEOSA-N 2 2 363.458 0.727 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000410884448 529696407 /nfs/dbraw/zinc/69/64/07/529696407.db2.gz CKLJKRJDCXFNRU-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000265754391 210214642 /nfs/dbraw/zinc/21/46/42/210214642.db2.gz AVAYJVCTJAXPJH-UHFFFAOYSA-N 2 2 374.485 0.459 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000265373333 210111058 /nfs/dbraw/zinc/11/10/58/210111058.db2.gz AWUANZPJVBBYGC-INIZCTEOSA-N 2 2 373.501 0.460 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000331797782 215048696 /nfs/dbraw/zinc/04/86/96/215048696.db2.gz AOVWFUQQBCCWDC-VNHYZAJKSA-N 2 2 350.488 0.759 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000331827110 215052648 /nfs/dbraw/zinc/05/26/48/215052648.db2.gz RHBMRAYVJJCTSB-NUJGCVRESA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000331827110 215052652 /nfs/dbraw/zinc/05/26/52/215052652.db2.gz RHBMRAYVJJCTSB-NUJGCVRESA-N 2 2 358.486 0.581 20 0 FCADLP NS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000331863487 215057492 /nfs/dbraw/zinc/05/74/92/215057492.db2.gz KTCUWADCUZTZDQ-QGZVFWFLSA-N 2 2 352.504 0.562 20 0 FCADLP NS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000331863487 215057496 /nfs/dbraw/zinc/05/74/96/215057496.db2.gz KTCUWADCUZTZDQ-QGZVFWFLSA-N 2 2 352.504 0.562 20 0 FCADLP C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332018930 215080622 /nfs/dbraw/zinc/08/06/22/215080622.db2.gz FJGHNTLPJMOAAL-CABCVRRESA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCS1 ZINC000332020716 215079856 /nfs/dbraw/zinc/07/98/56/215079856.db2.gz FVLMVGMKZKNTLV-AWEZNQCLSA-N 2 2 368.547 0.625 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000332176215 215105395 /nfs/dbraw/zinc/10/53/95/215105395.db2.gz XKJWYMNPAYNZHH-UKRRQHHQSA-N 2 2 374.489 0.363 20 0 FCADLP CC(=O)N[C@H](C)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000332362075 215136609 /nfs/dbraw/zinc/13/66/09/215136609.db2.gz JRHVUPDRCIDGMY-OAHLLOKOSA-N 2 2 360.506 0.965 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000332492894 215160529 /nfs/dbraw/zinc/16/05/29/215160529.db2.gz VTUURJSWQGSZMO-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000332492894 215160535 /nfs/dbraw/zinc/16/05/35/215160535.db2.gz VTUURJSWQGSZMO-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000332533303 215170511 /nfs/dbraw/zinc/17/05/11/215170511.db2.gz HXWCSSGODGQIDU-CVEARBPZSA-N 2 2 359.474 0.767 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@H]1C ZINC000332524855 215167095 /nfs/dbraw/zinc/16/70/95/215167095.db2.gz DSYIYXZQOPAWPE-IAGOWNOFSA-N 2 2 373.501 0.980 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)C[C@H]1C ZINC000332524855 215167097 /nfs/dbraw/zinc/16/70/97/215167097.db2.gz DSYIYXZQOPAWPE-IAGOWNOFSA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)c1 ZINC000332524635 215168326 /nfs/dbraw/zinc/16/83/26/215168326.db2.gz MECHHMYXQJRCSE-SJORKVTESA-N 2 2 358.486 0.848 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000332533307 215171575 /nfs/dbraw/zinc/17/15/75/215171575.db2.gz HXYPTTRCVNUNNE-DZGCQCFKSA-N 2 2 360.462 0.162 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[C@H]1[NH3+] ZINC000332551152 215177675 /nfs/dbraw/zinc/17/76/75/215177675.db2.gz PRUGNTQWDLRLLW-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[C@H]1[NH3+] ZINC000332551152 215177677 /nfs/dbraw/zinc/17/76/77/215177677.db2.gz PRUGNTQWDLRLLW-JFIYKMOQSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000332563236 215180042 /nfs/dbraw/zinc/18/00/42/215180042.db2.gz XSFNDBQLRQSCEE-BBWFWOEESA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000332563236 215180044 /nfs/dbraw/zinc/18/00/44/215180044.db2.gz XSFNDBQLRQSCEE-BBWFWOEESA-N 2 2 358.486 0.928 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286676998 213525059 /nfs/dbraw/zinc/52/50/59/213525059.db2.gz WMUYAAWNTLPPOI-LSDHHAIUSA-N 2 2 365.478 0.265 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332709608 215205968 /nfs/dbraw/zinc/20/59/68/215205968.db2.gz YMUDJYFDSPEWPE-INMHGKMJSA-N 2 2 366.506 0.141 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000332923975 215217461 /nfs/dbraw/zinc/21/74/61/215217461.db2.gz LXHFUSFNMZZFNM-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3([S@](C)=O)CC3)CC2)CC1 ZINC000333137514 215241436 /nfs/dbraw/zinc/24/14/36/215241436.db2.gz YBOQRHOBPOBURU-DEOSSOPVSA-N 2 2 356.536 0.755 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1c(F)cccc1F ZINC000333145607 215241810 /nfs/dbraw/zinc/24/18/10/215241810.db2.gz DPJDLJJZJKXIGW-ZBEGNZNMSA-N 2 2 352.385 0.387 20 0 FCADLP CC(C)(CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000333148401 215242012 /nfs/dbraw/zinc/24/20/12/215242012.db2.gz DXUKZEXDMGONQC-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CC(C)(CNC(=O)NC1CCC([NH+]2CCNCC2)CC1)[NH+]1CCOCC1 ZINC000333148401 215242013 /nfs/dbraw/zinc/24/20/13/215242013.db2.gz DXUKZEXDMGONQC-UHFFFAOYSA-N 2 2 367.538 0.613 20 0 FCADLP CCC(=O)N1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000333392942 215275182 /nfs/dbraw/zinc/27/51/82/215275182.db2.gz MKJMEFUCHWMALB-UHFFFAOYSA-N 2 2 351.495 0.766 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000333442236 215282375 /nfs/dbraw/zinc/28/23/75/215282375.db2.gz WHAREIFTUZNFQS-KFWWJZLASA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH+]cn1 ZINC000333442236 215282378 /nfs/dbraw/zinc/28/23/78/215282378.db2.gz WHAREIFTUZNFQS-KFWWJZLASA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000333454981 215284558 /nfs/dbraw/zinc/28/45/58/215284558.db2.gz YBGOSWVCIGLSDS-QLFBSQMISA-N 2 2 359.478 0.738 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)[nH+]cn1 ZINC000333454981 215284562 /nfs/dbraw/zinc/28/45/62/215284562.db2.gz YBGOSWVCIGLSDS-QLFBSQMISA-N 2 2 359.478 0.738 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000333626865 215302111 /nfs/dbraw/zinc/30/21/11/215302111.db2.gz FZGVKBPMCMUKHS-GTPINHCMSA-N 2 2 365.522 0.985 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333650567 215305459 /nfs/dbraw/zinc/30/54/59/215305459.db2.gz JSVHKEKBJQXMBA-ULQDDVLXSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333796074 215320233 /nfs/dbraw/zinc/32/02/33/215320233.db2.gz HAIOYJVNBJNJNX-DLBZAZTESA-N 2 2 365.522 0.714 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000333827441 215322616 /nfs/dbraw/zinc/32/26/16/215322616.db2.gz ISQUKCYJJWJASY-UAGQMJEPSA-N 2 2 371.547 0.875 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000333970024 215334940 /nfs/dbraw/zinc/33/49/40/215334940.db2.gz VEDOVILIMONHLL-HNNXBMFYSA-N 2 2 362.478 0.677 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000334111827 215345952 /nfs/dbraw/zinc/34/59/52/215345952.db2.gz COSPXMBUKVZPEE-OAHLLOKOSA-N 2 2 360.462 0.799 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000334111826 215346228 /nfs/dbraw/zinc/34/62/28/215346228.db2.gz COSPXMBUKVZPEE-HNNXBMFYSA-N 2 2 360.462 0.799 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346030 215358457 /nfs/dbraw/zinc/35/84/57/215358457.db2.gz RTCDMYSJQNGYOO-TZMCWYRMSA-N 2 2 356.829 0.762 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346030 215358459 /nfs/dbraw/zinc/35/84/59/215358459.db2.gz RTCDMYSJQNGYOO-TZMCWYRMSA-N 2 2 356.829 0.762 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346028 215359044 /nfs/dbraw/zinc/35/90/44/215359044.db2.gz RTCDMYSJQNGYOO-JSGCOSHPSA-N 2 2 356.829 0.762 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000360346028 215359046 /nfs/dbraw/zinc/35/90/46/215359046.db2.gz RTCDMYSJQNGYOO-JSGCOSHPSA-N 2 2 356.829 0.762 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285578729 213361255 /nfs/dbraw/zinc/36/12/55/213361255.db2.gz ILUFWLOEKWJQIF-UHFFFAOYSA-N 2 2 361.508 0.989 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285578729 213361259 /nfs/dbraw/zinc/36/12/59/213361259.db2.gz ILUFWLOEKWJQIF-UHFFFAOYSA-N 2 2 361.508 0.989 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285578729 213361263 /nfs/dbraw/zinc/36/12/63/213361263.db2.gz ILUFWLOEKWJQIF-UHFFFAOYSA-N 2 2 361.508 0.989 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285578729 213361265 /nfs/dbraw/zinc/36/12/65/213361265.db2.gz ILUFWLOEKWJQIF-UHFFFAOYSA-N 2 2 361.508 0.989 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443031 213342858 /nfs/dbraw/zinc/34/28/58/213342858.db2.gz ZCLOGPUHKBPREQ-JKSUJKDBSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443031 213342860 /nfs/dbraw/zinc/34/28/60/213342860.db2.gz ZCLOGPUHKBPREQ-JKSUJKDBSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1COC[C@H]1O ZINC000285390419 213334944 /nfs/dbraw/zinc/33/49/44/213334944.db2.gz BZBLMWWQQONHAF-IAGOWNOFSA-N 2 2 365.499 0.865 20 0 FCADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1COC[C@H]1O ZINC000285390419 213334947 /nfs/dbraw/zinc/33/49/47/213334947.db2.gz BZBLMWWQQONHAF-IAGOWNOFSA-N 2 2 365.499 0.865 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285137985 213291367 /nfs/dbraw/zinc/29/13/67/213291367.db2.gz SLRWNHAEMVDQCV-UHFFFAOYSA-N 2 2 361.368 0.614 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285137985 213291369 /nfs/dbraw/zinc/29/13/69/213291369.db2.gz SLRWNHAEMVDQCV-UHFFFAOYSA-N 2 2 361.368 0.614 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000285006477 213265715 /nfs/dbraw/zinc/26/57/15/213265715.db2.gz MGCIBLPTDILOIZ-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[NH+](C)C1CC1 ZINC000285006477 213265719 /nfs/dbraw/zinc/26/57/19/213265719.db2.gz MGCIBLPTDILOIZ-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[N@H+](C)C1CC1 ZINC000285006477 213265723 /nfs/dbraw/zinc/26/57/23/213265723.db2.gz MGCIBLPTDILOIZ-ZDUSSCGKSA-N 2 2 364.515 0.821 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCc2sccc2C1)[N@@H+](C)C1CC1 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213020660 /nfs/dbraw/zinc/02/06/60/213020660.db2.gz JBYDMFWPJGBTPA-HUUCEWRRSA-N 2 2 373.457 0.566 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000283855590 213020762 /nfs/dbraw/zinc/02/07/62/213020762.db2.gz GVOCCDPOGXQXKN-ZBFHGGJFSA-N 2 2 355.442 0.546 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000283855590 213020764 /nfs/dbraw/zinc/02/07/64/213020764.db2.gz GVOCCDPOGXQXKN-ZBFHGGJFSA-N 2 2 355.442 0.546 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000413365313 237319518 /nfs/dbraw/zinc/31/95/18/237319518.db2.gz CHLSOJKJAJIDFA-GJZGRUSLSA-N 2 2 354.495 0.600 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000413365313 237319524 /nfs/dbraw/zinc/31/95/24/237319524.db2.gz CHLSOJKJAJIDFA-GJZGRUSLSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000366857638 216042908 /nfs/dbraw/zinc/04/29/08/216042908.db2.gz XFDKBLFKWSBNKO-GJYPPUQNSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@]2(CCOC2)O1 ZINC000366857638 216042911 /nfs/dbraw/zinc/04/29/11/216042911.db2.gz XFDKBLFKWSBNKO-GJYPPUQNSA-N 2 2 366.506 0.744 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 ZINC000366862332 216043062 /nfs/dbraw/zinc/04/30/62/216043062.db2.gz GBJDKWCNYPOCAT-HIFRSBDPSA-N 2 2 353.467 0.152 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000367026794 216065914 /nfs/dbraw/zinc/06/59/14/216065914.db2.gz CRHHQMJFVLWSBP-FHWLQOOXSA-N 3 2 365.566 0.497 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000367026794 216065917 /nfs/dbraw/zinc/06/59/17/216065917.db2.gz CRHHQMJFVLWSBP-FHWLQOOXSA-N 3 2 365.566 0.497 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)CC1 ZINC000367230909 216095487 /nfs/dbraw/zinc/09/54/87/216095487.db2.gz LFEPFYDXPKGENH-IUODEOHRSA-N 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Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)c2cc1C ZINC000368213090 216217416 /nfs/dbraw/zinc/21/74/16/216217416.db2.gz SDUJNUDMSPJZEM-LSDHHAIUSA-N 2 2 366.487 0.767 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246652310 209396542 /nfs/dbraw/zinc/39/65/42/209396542.db2.gz QWWLETQQBZVZAY-CVEARBPZSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246652310 209396546 /nfs/dbraw/zinc/39/65/46/209396546.db2.gz QWWLETQQBZVZAY-CVEARBPZSA-N 2 2 366.506 0.143 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000246644288 209395080 /nfs/dbraw/zinc/39/50/80/209395080.db2.gz PVFMDWLINUXKSS-AEFFLSMTSA-N 2 2 366.506 0.110 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000246644288 209395083 /nfs/dbraw/zinc/39/50/83/209395083.db2.gz PVFMDWLINUXKSS-AEFFLSMTSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000246324435 209384224 /nfs/dbraw/zinc/38/42/24/209384224.db2.gz ATDBWYNWZUHBPA-HZPDHXFCSA-N 2 2 359.536 0.843 20 0 FCADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000246324435 209384226 /nfs/dbraw/zinc/38/42/26/209384226.db2.gz ATDBWYNWZUHBPA-HZPDHXFCSA-N 2 2 359.536 0.843 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000237443365 209352286 /nfs/dbraw/zinc/35/22/86/209352286.db2.gz KXMDCGLEWPAKBU-IAGOWNOFSA-N 2 2 374.485 0.697 20 0 FCADLP C[NH2+]CCCC(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000237139185 209347700 /nfs/dbraw/zinc/34/77/00/209347700.db2.gz AAIBGEFRZNJWPO-UHFFFAOYSA-N 2 2 362.474 0.569 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000236839725 209344568 /nfs/dbraw/zinc/34/45/68/209344568.db2.gz XLYJUYMDULRWOD-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP CCC[C@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000236884488 209344361 /nfs/dbraw/zinc/34/43/61/209344361.db2.gz MBNWFOSOYSOJLO-HNNXBMFYSA-N 2 2 368.503 0.366 20 0 FCADLP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000195604522 209340506 /nfs/dbraw/zinc/34/05/06/209340506.db2.gz NRGZFXGAWOZJQO-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000195604522 209340508 /nfs/dbraw/zinc/34/05/08/209340508.db2.gz NRGZFXGAWOZJQO-HRCADAONSA-N 2 2 356.511 0.894 20 0 FCADLP CC1=C(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)n2ncnc2N1C ZINC000195298044 209334763 /nfs/dbraw/zinc/33/47/63/209334763.db2.gz VZJRSJRAEKSTMJ-AWEZNQCLSA-N 2 2 361.494 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000194806338 209330271 /nfs/dbraw/zinc/33/02/71/209330271.db2.gz GOEUJHCACMCECJ-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000194806338 209330274 /nfs/dbraw/zinc/33/02/74/209330274.db2.gz GOEUJHCACMCECJ-IYBDPMFKSA-N 2 2 356.511 0.848 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360946 216237317 /nfs/dbraw/zinc/23/73/17/216237317.db2.gz LFKFEEXIBUWTGA-ZWKOTPCHSA-N 2 2 359.474 0.772 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368360946 216237319 /nfs/dbraw/zinc/23/73/19/216237319.db2.gz LFKFEEXIBUWTGA-ZWKOTPCHSA-N 2 2 359.474 0.772 20 0 FCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000193566839 209315181 /nfs/dbraw/zinc/31/51/81/209315181.db2.gz UBBLIEUJMYXWCN-CJNGLKHVSA-N 2 2 350.488 0.507 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000193579121 209314746 /nfs/dbraw/zinc/31/47/46/209314746.db2.gz YOELDIIDQBFLAA-QFBILLFUSA-N 2 2 358.486 0.753 20 0 FCADLP COCC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000193072722 209308136 /nfs/dbraw/zinc/30/81/36/209308136.db2.gz PIHSQRMFPQQXPN-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP Cn1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314352 209271081 /nfs/dbraw/zinc/27/10/81/209271081.db2.gz FCIGNZLXOQRDBO-HXUWFJFHSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314352 209271084 /nfs/dbraw/zinc/27/10/84/209271084.db2.gz FCIGNZLXOQRDBO-HXUWFJFHSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314352 209271089 /nfs/dbraw/zinc/27/10/89/209271089.db2.gz FCIGNZLXOQRDBO-HXUWFJFHSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314352 209271091 /nfs/dbraw/zinc/27/10/91/209271091.db2.gz FCIGNZLXOQRDBO-HXUWFJFHSA-N 2 2 372.469 0.153 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000277780814 212397047 /nfs/dbraw/zinc/39/70/47/212397047.db2.gz LWSFZBAKMKZLFQ-CQSZACIVSA-N 2 2 362.478 0.036 20 0 FCADLP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000277780814 212397050 /nfs/dbraw/zinc/39/70/50/212397050.db2.gz LWSFZBAKMKZLFQ-CQSZACIVSA-N 2 2 362.478 0.036 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000187098552 209207592 /nfs/dbraw/zinc/20/75/92/209207592.db2.gz UAEJMPCCFWJAOT-SFHVURJKSA-N 2 2 364.490 0.673 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000187098552 209207595 /nfs/dbraw/zinc/20/75/95/209207595.db2.gz UAEJMPCCFWJAOT-SFHVURJKSA-N 2 2 364.490 0.673 20 0 FCADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186597781 209191561 /nfs/dbraw/zinc/19/15/61/209191561.db2.gz MMOAMPSAUFUDOF-OAHLLOKOSA-N 2 2 354.414 0.304 20 0 FCADLP COc1ncccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275730649 212081372 /nfs/dbraw/zinc/08/13/72/212081372.db2.gz ULELXYIWLICGLG-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COc1ncccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275730649 212081374 /nfs/dbraw/zinc/08/13/74/212081374.db2.gz ULELXYIWLICGLG-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP Cc1nn(C)c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000275690647 212074726 /nfs/dbraw/zinc/07/47/26/212074726.db2.gz MQTHRIBLIQCABI-UHFFFAOYSA-N 2 2 364.494 0.460 20 0 FCADLP Cc1nn(C)c(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000275690647 212074728 /nfs/dbraw/zinc/07/47/28/212074728.db2.gz MQTHRIBLIQCABI-UHFFFAOYSA-N 2 2 364.494 0.460 20 0 FCADLP O=C(C[N@@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275565581 212052071 /nfs/dbraw/zinc/05/20/71/212052071.db2.gz OEWLKBOPZWSFJX-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP O=C(C[N@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275565581 212052074 /nfs/dbraw/zinc/05/20/74/212052074.db2.gz OEWLKBOPZWSFJX-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP Cn1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC(F)F ZINC000373352630 217011235 /nfs/dbraw/zinc/01/12/35/217011235.db2.gz GCXCLBYTUFQKKM-NSHDSACASA-N 2 2 357.405 0.920 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000931483774 674117267 /nfs/dbraw/zinc/11/72/67/674117267.db2.gz GNBRVQNDSUCPBO-UHFFFAOYSA-N 2 2 371.503 0.953 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000931483257 674117277 /nfs/dbraw/zinc/11/72/77/674117277.db2.gz ZDKJOHCZPJKKHO-UHFFFAOYSA-N 2 2 356.488 0.857 20 0 FCADLP [NH3+]CCOc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000414727634 245314565 /nfs/dbraw/zinc/31/45/65/245314565.db2.gz AQVVKTHVCWMWGQ-UHFFFAOYSA-N 2 2 357.414 0.976 20 0 FCADLP C[C@H](C[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415023183 245340828 /nfs/dbraw/zinc/34/08/28/245340828.db2.gz MJXRMINBXXMDNJ-GFCCVEGCSA-N 2 2 355.464 0.091 20 0 FCADLP C[C@@H](C[NH3+])NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415023187 245343236 /nfs/dbraw/zinc/34/32/36/245343236.db2.gz MJXRMINBXXMDNJ-LBPRGKRZSA-N 2 2 355.464 0.091 20 0 FCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000415233449 245364493 /nfs/dbraw/zinc/36/44/93/245364493.db2.gz SBMXNYHWQJOGKC-GRDNDAEWSA-N 2 2 360.458 0.966 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000415194163 245358630 /nfs/dbraw/zinc/35/86/30/245358630.db2.gz LBUNCSUUJKPLBM-GASCZTMLSA-N 2 2 374.485 0.838 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000415194163 245358632 /nfs/dbraw/zinc/35/86/32/245358632.db2.gz LBUNCSUUJKPLBM-GASCZTMLSA-N 2 2 374.485 0.838 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC000415194060 245360520 /nfs/dbraw/zinc/36/05/20/245360520.db2.gz XWIUXKJWNYVULY-KRWDZBQOSA-N 2 2 362.474 0.962 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)c1 ZINC000415194060 245360529 /nfs/dbraw/zinc/36/05/29/245360529.db2.gz XWIUXKJWNYVULY-KRWDZBQOSA-N 2 2 362.474 0.962 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000415239007 245368660 /nfs/dbraw/zinc/36/86/60/245368660.db2.gz NKRZHXRKQMUUMZ-RHSMWYFYSA-N 2 2 360.458 0.666 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000415312708 245384921 /nfs/dbraw/zinc/38/49/21/245384921.db2.gz GVXYVSUUZIWKJA-SFHVURJKSA-N 2 2 373.501 0.631 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000415329804 245387789 /nfs/dbraw/zinc/38/77/89/245387789.db2.gz NKADFLNDKCRCRB-KRWDZBQOSA-N 2 2 359.474 0.241 20 0 FCADLP C[C@@H](c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000415344493 245392676 /nfs/dbraw/zinc/39/26/76/245392676.db2.gz NQEOJOSLXJWNKJ-CABCVRRESA-N 2 2 360.458 0.839 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509325 217025474 /nfs/dbraw/zinc/02/54/74/217025474.db2.gz OHGYVTPHVKDVFD-APWZRJJASA-N 2 2 364.534 0.915 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCN3C3CCCC3)C2)CC1 ZINC000373509325 217025477 /nfs/dbraw/zinc/02/54/77/217025477.db2.gz OHGYVTPHVKDVFD-APWZRJJASA-N 2 2 364.534 0.915 20 0 FCADLP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000373526408 217028901 /nfs/dbraw/zinc/02/89/01/217028901.db2.gz CRHXRPSEWZIPEU-ROUUACIJSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000373526408 217028903 /nfs/dbraw/zinc/02/89/03/217028903.db2.gz CRHXRPSEWZIPEU-ROUUACIJSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373526408 217028905 /nfs/dbraw/zinc/02/89/05/217028905.db2.gz CRHXRPSEWZIPEU-ROUUACIJSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373526408 217028907 /nfs/dbraw/zinc/02/89/07/217028907.db2.gz CRHXRPSEWZIPEU-ROUUACIJSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CCOc3ccccc3)CC2)CC1 ZINC000275325478 212007515 /nfs/dbraw/zinc/00/75/15/212007515.db2.gz UWBASRYHBTZRDH-UHFFFAOYSA-N 2 2 360.502 0.847 20 0 FCADLP C[NH+]1CCN(C(=O)CCN2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000275325478 212007517 /nfs/dbraw/zinc/00/75/17/212007517.db2.gz UWBASRYHBTZRDH-UHFFFAOYSA-N 2 2 360.502 0.847 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)cn2)CC1 ZINC000373583060 217034939 /nfs/dbraw/zinc/03/49/39/217034939.db2.gz OSLYGNOQSKJQJY-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000415352298 245396673 /nfs/dbraw/zinc/39/66/73/245396673.db2.gz KFLOPFMXYQSGEP-INIZCTEOSA-N 2 2 359.474 0.322 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)[N@H+]1CCO ZINC000373912379 217073745 /nfs/dbraw/zinc/07/37/45/217073745.db2.gz PURCDHVKWHLSCO-GASCZTMLSA-N 2 2 358.446 0.864 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)[N@@H+]1CCO ZINC000373912379 217073747 /nfs/dbraw/zinc/07/37/47/217073747.db2.gz PURCDHVKWHLSCO-GASCZTMLSA-N 2 2 358.446 0.864 20 0 FCADLP COCCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000374492152 217135863 /nfs/dbraw/zinc/13/58/63/217135863.db2.gz LFHXUTGPYLLHGS-MRXNPFEDSA-N 2 2 364.494 0.497 20 0 FCADLP COCCn1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000374492152 217135865 /nfs/dbraw/zinc/13/58/65/217135865.db2.gz LFHXUTGPYLLHGS-MRXNPFEDSA-N 2 2 364.494 0.497 20 0 FCADLP COc1cccc(C(=O)NCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000183813974 209154273 /nfs/dbraw/zinc/15/42/73/209154273.db2.gz WPWOMBPJKRGUJQ-UHFFFAOYSA-N 2 2 362.474 0.567 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000375004917 217203732 /nfs/dbraw/zinc/20/37/32/217203732.db2.gz OXBZBAAGRXHCBJ-GBESFXJTSA-N 2 2 364.534 0.868 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000375004917 217203734 /nfs/dbraw/zinc/20/37/34/217203734.db2.gz OXBZBAAGRXHCBJ-GBESFXJTSA-N 2 2 364.534 0.868 20 0 FCADLP C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000183174192 209141686 /nfs/dbraw/zinc/14/16/86/209141686.db2.gz VJBLJCAPPVOLCE-CABCVRRESA-N 2 2 350.463 0.861 20 0 FCADLP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000182870676 209139118 /nfs/dbraw/zinc/13/91/18/209139118.db2.gz AIGXQWYQZHOTRY-IRXDYDNUSA-N 2 2 352.523 0.772 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000181979705 209125189 /nfs/dbraw/zinc/12/51/89/209125189.db2.gz CGWCRTALXJZHLA-IXDOHACOSA-N 2 2 351.491 0.857 20 0 FCADLP Cc1nnc(COCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000375745509 217307761 /nfs/dbraw/zinc/30/77/61/217307761.db2.gz QTJVJJPEPRXTHW-ZDUSSCGKSA-N 2 2 353.492 0.648 20 0 FCADLP Cc1nnc(COCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000375745509 217307762 /nfs/dbraw/zinc/30/77/62/217307762.db2.gz QTJVJJPEPRXTHW-ZDUSSCGKSA-N 2 2 353.492 0.648 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000375802011 217319189 /nfs/dbraw/zinc/31/91/89/217319189.db2.gz PTZVSTXSRZFDPL-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375805740 217319681 /nfs/dbraw/zinc/31/96/81/217319681.db2.gz NIRWQMSAPSYCKW-HOTGVXAUSA-N 2 2 368.478 0.130 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889336 217330637 /nfs/dbraw/zinc/33/06/37/217330637.db2.gz JOQYAXVRNKVSCG-RTBURBONSA-N 3 2 365.566 0.639 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889336 217330640 /nfs/dbraw/zinc/33/06/40/217330640.db2.gz JOQYAXVRNKVSCG-RTBURBONSA-N 3 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889336 217330643 /nfs/dbraw/zinc/33/06/43/217330643.db2.gz JOQYAXVRNKVSCG-RTBURBONSA-N 2 2 365.566 0.639 20 0 FCADLP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000375889336 217330646 /nfs/dbraw/zinc/33/06/46/217330646.db2.gz JOQYAXVRNKVSCG-RTBURBONSA-N 2 2 365.566 0.639 20 0 FCADLP C[C@](O)(CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21)C[NH+]1CCOCC1 ZINC000375959087 217338619 /nfs/dbraw/zinc/33/86/19/217338619.db2.gz FGMVXJCXBKRCGO-YOEHRIQHSA-N 2 2 351.451 0.143 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000376319014 217384212 /nfs/dbraw/zinc/38/42/12/217384212.db2.gz CEFWVTFHSANELJ-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP CC(C)Nc1nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc(NCCO)[nH+]1 ZINC000376403981 217394179 /nfs/dbraw/zinc/39/41/79/217394179.db2.gz SMJFBRRJXLKTLD-OAHLLOKOSA-N 2 2 363.510 0.108 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000376403981 217394184 /nfs/dbraw/zinc/39/41/84/217394184.db2.gz SMJFBRRJXLKTLD-OAHLLOKOSA-N 2 2 363.510 0.108 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000376403981 217394187 /nfs/dbraw/zinc/39/41/87/217394187.db2.gz SMJFBRRJXLKTLD-OAHLLOKOSA-N 2 2 363.510 0.108 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000418841751 245858130 /nfs/dbraw/zinc/85/81/30/245858130.db2.gz AOSRNSLSPVARCJ-HUUCEWRRSA-N 2 2 352.866 0.912 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419039119 245951566 /nfs/dbraw/zinc/95/15/66/245951566.db2.gz KPFCYSFHTUSSNZ-CZUORRHYSA-N 2 2 371.441 0.718 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419128169 246003301 /nfs/dbraw/zinc/00/33/01/246003301.db2.gz VKBQHBCAZRZZJC-IYBDPMFKSA-N 2 2 369.469 0.799 20 0 FCADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419146674 246015569 /nfs/dbraw/zinc/01/55/69/246015569.db2.gz HRVOTFWYZPWACS-MRXNPFEDSA-N 2 2 355.442 0.610 20 0 FCADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419148317 246017303 /nfs/dbraw/zinc/01/73/03/246017303.db2.gz IYZBUDAXWZKHOS-INIZCTEOSA-N 2 2 355.442 0.610 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000419211994 246056440 /nfs/dbraw/zinc/05/64/40/246056440.db2.gz YVCXTBODUQVORQ-JKSUJKDBSA-N 2 2 359.474 0.932 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)c[nH+]2)CC1 ZINC000419202209 246051356 /nfs/dbraw/zinc/05/13/56/246051356.db2.gz GMZMBNAYUDJADP-UHFFFAOYSA-N 2 2 359.474 0.756 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419271575 246083860 /nfs/dbraw/zinc/08/38/60/246083860.db2.gz FVMYSELICCNKIH-YOEHRIQHSA-N 2 2 355.442 0.804 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419287426 246087317 /nfs/dbraw/zinc/08/73/17/246087317.db2.gz WKZOIHLIRKLOOO-KRWDZBQOSA-N 2 2 355.442 0.887 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419235263 246070358 /nfs/dbraw/zinc/07/03/58/246070358.db2.gz JDGXWYJHDFCRAP-INIZCTEOSA-N 2 2 355.442 0.941 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)[nH+]c1 ZINC000419302998 246092131 /nfs/dbraw/zinc/09/21/31/246092131.db2.gz RBMQZRIPNVTUMQ-GASCZTMLSA-N 2 2 359.474 0.684 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[NH2+]1 ZINC000419313535 246095330 /nfs/dbraw/zinc/09/53/30/246095330.db2.gz SVWSFVMRHDKHCP-OAHLLOKOSA-N 2 2 359.474 0.899 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419301476 246091447 /nfs/dbraw/zinc/09/14/47/246091447.db2.gz DQCGBJYBYHEZHD-HXUWFJFHSA-N 2 2 371.485 0.900 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c[nH+]1 ZINC000419393457 246133558 /nfs/dbraw/zinc/13/35/58/246133558.db2.gz MSZSQIPSFHUNOJ-UHFFFAOYSA-N 2 2 359.474 0.756 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419398201 246134068 /nfs/dbraw/zinc/13/40/68/246134068.db2.gz YZPJYZQBVCZSAD-LSDHHAIUSA-N 2 2 368.865 0.245 20 0 FCADLP CN(CC[NH3+])C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419398201 246134072 /nfs/dbraw/zinc/13/40/72/246134072.db2.gz YZPJYZQBVCZSAD-LSDHHAIUSA-N 2 2 368.865 0.245 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419398546 246135275 /nfs/dbraw/zinc/13/52/75/246135275.db2.gz XHUIKUDJTNUDFQ-SFHVURJKSA-N 2 2 358.486 0.761 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419398546 246135282 /nfs/dbraw/zinc/13/52/82/246135282.db2.gz XHUIKUDJTNUDFQ-SFHVURJKSA-N 2 2 358.486 0.761 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508034 246184853 /nfs/dbraw/zinc/18/48/53/246184853.db2.gz QFBLSBTYXYAHII-SJORKVTESA-N 2 2 373.501 0.134 20 0 FCADLP Cc1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+]2CCCC2)o1 ZINC000419516786 246188723 /nfs/dbraw/zinc/18/87/23/246188723.db2.gz UXQQYWUNBOPOFA-LBPRGKRZSA-N 2 2 358.389 0.551 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419637599 246225984 /nfs/dbraw/zinc/22/59/84/246225984.db2.gz FSRXSZYSDQEYBN-UHFFFAOYSA-N 2 2 359.474 0.992 20 0 FCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419643723 246229229 /nfs/dbraw/zinc/22/92/29/246229229.db2.gz NMGGRRWFXWRCIB-QGZVFWFLSA-N 2 2 355.442 0.806 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419677804 246243564 /nfs/dbraw/zinc/24/35/64/246243564.db2.gz CWTQILJQQXYWBT-DZKIICNBSA-N 2 2 354.495 0.236 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000419677346 246243614 /nfs/dbraw/zinc/24/36/14/246243614.db2.gz COESNNJCOIVKOY-HOTGVXAUSA-N 2 2 368.522 0.640 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000419686472 246250563 /nfs/dbraw/zinc/25/05/63/246250563.db2.gz OGKRVYCVUVDMCW-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000419711494 246263726 /nfs/dbraw/zinc/26/37/26/246263726.db2.gz NUILJOQJYBMHGY-CYBMUJFWSA-N 2 2 364.877 0.635 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000419711494 246263731 /nfs/dbraw/zinc/26/37/31/246263731.db2.gz NUILJOQJYBMHGY-CYBMUJFWSA-N 2 2 364.877 0.635 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)c2)CC1 ZINC000419794114 246298106 /nfs/dbraw/zinc/29/81/06/246298106.db2.gz DQRWMMZCRRGKOC-UHFFFAOYSA-N 2 2 373.501 0.583 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419808546 246304229 /nfs/dbraw/zinc/30/42/29/246304229.db2.gz VBFKALHZITWPIX-UHFFFAOYSA-N 2 2 354.495 0.333 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000419871462 246338868 /nfs/dbraw/zinc/33/88/68/246338868.db2.gz SZLFLHNEDQOBIS-OAHLLOKOSA-N 2 2 374.489 0.411 20 0 FCADLP [NH3+]C1CCC(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000419873450 246340772 /nfs/dbraw/zinc/34/07/72/246340772.db2.gz MSBGRYSSAVLKRE-UHFFFAOYSA-N 2 2 350.488 0.778 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)cc1 ZINC000419825838 246307708 /nfs/dbraw/zinc/30/77/08/246307708.db2.gz BPOVTUVTMQZKEH-UHFFFAOYSA-N 2 2 362.474 0.585 20 0 FCADLP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000419847313 246318867 /nfs/dbraw/zinc/31/88/67/246318867.db2.gz STDBBKDZKVOUAF-QPJJXVBHSA-N 2 2 356.470 0.712 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419858624 246327823 /nfs/dbraw/zinc/32/78/23/246327823.db2.gz LXWYJKIUELXGBC-INIZCTEOSA-N 2 2 374.485 0.455 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419862246 246332737 /nfs/dbraw/zinc/33/27/37/246332737.db2.gz QDNPFMGTHCGQGT-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419862246 246332742 /nfs/dbraw/zinc/33/27/42/246332742.db2.gz QDNPFMGTHCGQGT-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908144 246364286 /nfs/dbraw/zinc/36/42/86/246364286.db2.gz DIDQGWZZVDPJOC-DLBZAZTESA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908144 246364291 /nfs/dbraw/zinc/36/42/91/246364291.db2.gz DIDQGWZZVDPJOC-DLBZAZTESA-N 2 2 358.486 0.835 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419917033 246368065 /nfs/dbraw/zinc/36/80/65/246368065.db2.gz RJZOPSGLNDKGGI-QGZVFWFLSA-N 2 2 358.486 0.755 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419889333 246351499 /nfs/dbraw/zinc/35/14/99/246351499.db2.gz SCBDSAVMKJUHFN-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419907290 246361847 /nfs/dbraw/zinc/36/18/47/246361847.db2.gz BQWJDFDKDJHTPG-MRXNPFEDSA-N 2 2 374.485 0.455 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000419956727 246387872 /nfs/dbraw/zinc/38/78/72/246387872.db2.gz UPESHAVJZVAARN-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000419965102 246390752 /nfs/dbraw/zinc/39/07/52/246390752.db2.gz GNCOHFJKQODYDF-GVDBMIGSSA-N 2 2 366.506 0.062 20 0 FCADLP CC(C)N(CCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)S(C)(=O)=O ZINC000420378837 246554550 /nfs/dbraw/zinc/55/45/50/246554550.db2.gz XGRHSBAPCOUSMF-IJEWVQPXSA-N 2 2 362.540 0.139 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000423345270 247008706 /nfs/dbraw/zinc/00/87/06/247008706.db2.gz YMGHAHCIRNPFQP-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423361429 247010730 /nfs/dbraw/zinc/01/07/30/247010730.db2.gz GTBDHPQRWINFLQ-INIZCTEOSA-N 2 2 354.495 0.143 20 0 FCADLP CC(C)[C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000423372041 247013105 /nfs/dbraw/zinc/01/31/05/247013105.db2.gz QWIXANPXMZBDJO-YJBOKZPZSA-N 2 2 361.490 0.856 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423376545 247015639 /nfs/dbraw/zinc/01/56/39/247015639.db2.gz JMHMIYWAKCOUSY-XYJFISCASA-N 2 2 372.469 0.909 20 0 FCADLP [NH3+]CC1(CC(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000423397764 247019837 /nfs/dbraw/zinc/01/98/37/247019837.db2.gz UZWMAXGAXXQLNB-UHFFFAOYSA-N 2 2 350.507 0.956 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423306955 247000578 /nfs/dbraw/zinc/00/05/78/247000578.db2.gz FVVHAPQOFSMVEM-DYESRHJHSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423306955 247000583 /nfs/dbraw/zinc/00/05/83/247000583.db2.gz FVVHAPQOFSMVEM-DYESRHJHSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423306921 247000738 /nfs/dbraw/zinc/00/07/38/247000738.db2.gz FSHNARHVYCCUMB-QRQLOZEOSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423306921 247000741 /nfs/dbraw/zinc/00/07/41/247000741.db2.gz FSHNARHVYCCUMB-QRQLOZEOSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423312516 247003100 /nfs/dbraw/zinc/00/31/00/247003100.db2.gz DGLKSLJJQINCKO-SOLBZPMBSA-N 2 2 373.501 0.730 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423333400 247006228 /nfs/dbraw/zinc/00/62/28/247006228.db2.gz RQDAVCMCOKWDJN-GASCZTMLSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423333400 247006232 /nfs/dbraw/zinc/00/62/32/247006232.db2.gz RQDAVCMCOKWDJN-GASCZTMLSA-N 2 2 354.495 0.012 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423328928 247007611 /nfs/dbraw/zinc/00/76/11/247007611.db2.gz OGYVKTZLGORYOA-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423328928 247007618 /nfs/dbraw/zinc/00/76/18/247007618.db2.gz OGYVKTZLGORYOA-OWCLPIDISA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423583806 247063321 /nfs/dbraw/zinc/06/33/21/247063321.db2.gz AZODRFKSXFDIDO-SJLPKXTDSA-N 2 2 374.485 0.296 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423583806 247063326 /nfs/dbraw/zinc/06/33/26/247063326.db2.gz AZODRFKSXFDIDO-SJLPKXTDSA-N 2 2 374.485 0.296 20 0 FCADLP O=C(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423433689 247026103 /nfs/dbraw/zinc/02/61/03/247026103.db2.gz NJVMYOPGVHZIGA-ROUUACIJSA-N 2 2 373.501 0.970 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000423499408 247036997 /nfs/dbraw/zinc/03/69/97/247036997.db2.gz CLJXWGCTGUMXSI-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000423499408 247037002 /nfs/dbraw/zinc/03/70/02/247037002.db2.gz CLJXWGCTGUMXSI-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423493117 247037882 /nfs/dbraw/zinc/03/78/82/247037882.db2.gz ATMPCDGSOQUJNK-DOTOQJQBSA-N 2 2 373.432 0.824 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N(C)C3CC[NH2+]CC3)CC2)c1 ZINC000423682291 247108500 /nfs/dbraw/zinc/10/85/00/247108500.db2.gz OULNZLCXHDDVKP-UHFFFAOYSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423605655 247073137 /nfs/dbraw/zinc/07/31/37/247073137.db2.gz HIIWHUGTWCHYFZ-UZLBHIALSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423605655 247073140 /nfs/dbraw/zinc/07/31/40/247073140.db2.gz HIIWHUGTWCHYFZ-UZLBHIALSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[NH2+]1 ZINC000423616386 247076605 /nfs/dbraw/zinc/07/66/05/247076605.db2.gz FOPZUYZUQVLJCG-KBPBESRZSA-N 2 2 353.488 0.892 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423660315 247099139 /nfs/dbraw/zinc/09/91/39/247099139.db2.gz CGSYGYVMGJFAQJ-DLBZAZTESA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]1C[NH3+] ZINC000423746559 247138327 /nfs/dbraw/zinc/13/83/27/247138327.db2.gz YBRAEGVPLPOSFL-HOCLYGCPSA-N 2 2 364.515 0.978 20 0 FCADLP CC1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[NH2+]C1 ZINC000423757835 247140658 /nfs/dbraw/zinc/14/06/58/247140658.db2.gz LZHKKXYBGDGDKP-CQSZACIVSA-N 2 2 360.462 0.008 20 0 FCADLP CC1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[NH2+]C1 ZINC000423757835 247140662 /nfs/dbraw/zinc/14/06/62/247140662.db2.gz LZHKKXYBGDGDKP-CQSZACIVSA-N 2 2 360.462 0.008 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CSCC[NH2+]2)cn1 ZINC000423915585 247151302 /nfs/dbraw/zinc/15/13/02/247151302.db2.gz MEQZNPYYXLJHRM-ZNMIVQPWSA-N 2 2 355.483 0.544 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933763 247151914 /nfs/dbraw/zinc/15/19/14/247151914.db2.gz XBYGXNMEVZKAKK-BBRMVZONSA-N 2 2 363.462 0.227 20 0 FCADLP C[NH2+][C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)c1cnn(C)c1 ZINC000423927858 247151951 /nfs/dbraw/zinc/15/19/51/247151951.db2.gz JRKHSKBROQQPJX-GDBMZVCRSA-N 2 2 358.446 0.822 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423713502 247121149 /nfs/dbraw/zinc/12/11/49/247121149.db2.gz QFCPBZQMASINEV-KRWDZBQOSA-N 2 2 362.449 0.728 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423717682 247123389 /nfs/dbraw/zinc/12/33/89/247123389.db2.gz AOOIKHGCOLNPIA-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340247 247196806 /nfs/dbraw/zinc/19/68/06/247196806.db2.gz XPCHEVMORRFOFI-KCPJHIHWSA-N 2 2 366.487 0.471 20 0 FCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c[nH+]1 ZINC000424510818 247244402 /nfs/dbraw/zinc/24/44/02/247244402.db2.gz SKKPNUDUXQKCMI-JKSUJKDBSA-N 2 2 356.430 0.001 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000425381289 247328180 /nfs/dbraw/zinc/32/81/80/247328180.db2.gz FUBOTVKAOIZHQV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000425381289 247328181 /nfs/dbraw/zinc/32/81/81/247328181.db2.gz FUBOTVKAOIZHQV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000425381289 247328186 /nfs/dbraw/zinc/32/81/86/247328186.db2.gz FUBOTVKAOIZHQV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000425381289 247328187 /nfs/dbraw/zinc/32/81/87/247328187.db2.gz FUBOTVKAOIZHQV-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425394128 247333621 /nfs/dbraw/zinc/33/36/21/247333621.db2.gz FNWLOSQOIXUGEB-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425394128 247333623 /nfs/dbraw/zinc/33/36/23/247333623.db2.gz FNWLOSQOIXUGEB-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000425499073 247346400 /nfs/dbraw/zinc/34/64/00/247346400.db2.gz ICOPKSMLCJKWHO-KRWDZBQOSA-N 2 2 369.554 0.765 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000425499073 247346403 /nfs/dbraw/zinc/34/64/03/247346403.db2.gz ICOPKSMLCJKWHO-KRWDZBQOSA-N 2 2 369.554 0.765 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000425663064 247361407 /nfs/dbraw/zinc/36/14/07/247361407.db2.gz POJIPBCBUIXBSV-LZLYRXPVSA-N 2 2 368.547 0.930 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)[C@@H]2C1 ZINC000425663064 247361411 /nfs/dbraw/zinc/36/14/11/247361411.db2.gz POJIPBCBUIXBSV-LZLYRXPVSA-N 2 2 368.547 0.930 20 0 FCADLP C[C@](O)(CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000433401813 247864064 /nfs/dbraw/zinc/86/40/64/247864064.db2.gz ZQPUTIZHRZQFCD-YJBOKZPZSA-N 2 2 365.478 0.180 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000435575840 248002244 /nfs/dbraw/zinc/00/22/44/248002244.db2.gz FGBWDVHVNSRALB-KRWDZBQOSA-N 2 2 370.538 0.976 20 0 FCADLP C[C@H](C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000435571027 248002455 /nfs/dbraw/zinc/00/24/55/248002455.db2.gz QMBGOKITLXWOJH-CVEARBPZSA-N 2 2 361.490 0.612 20 0 FCADLP CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435630593 248005551 /nfs/dbraw/zinc/00/55/51/248005551.db2.gz XOXKVSTUDIIXNC-CQSZACIVSA-N 2 2 354.476 0.737 20 0 FCADLP CC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435630593 248005554 /nfs/dbraw/zinc/00/55/54/248005554.db2.gz XOXKVSTUDIIXNC-CQSZACIVSA-N 2 2 354.476 0.737 20 0 FCADLP C[NH2+]CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000435872741 248023916 /nfs/dbraw/zinc/02/39/16/248023916.db2.gz QMXYDRBUUCQWOU-UHFFFAOYSA-N 2 2 369.487 0.764 20 0 FCADLP C[NH2+]CCC[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000435872741 248023920 /nfs/dbraw/zinc/02/39/20/248023920.db2.gz QMXYDRBUUCQWOU-UHFFFAOYSA-N 2 2 369.487 0.764 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000436217261 248036499 /nfs/dbraw/zinc/03/64/99/248036499.db2.gz IAMNXOOKKCEOJH-ZDUSSCGKSA-N 2 2 352.483 0.473 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000436217261 248036501 /nfs/dbraw/zinc/03/65/01/248036501.db2.gz IAMNXOOKKCEOJH-ZDUSSCGKSA-N 2 2 352.483 0.473 20 0 FCADLP C[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000440980598 248229229 /nfs/dbraw/zinc/22/92/29/248229229.db2.gz NHUSXZSSXJUNBM-KRWDZBQOSA-N 2 2 368.570 0.195 20 0 FCADLP C[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000440980598 248229232 /nfs/dbraw/zinc/22/92/32/248229232.db2.gz NHUSXZSSXJUNBM-KRWDZBQOSA-N 2 2 368.570 0.195 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442596888 248292302 /nfs/dbraw/zinc/29/23/02/248292302.db2.gz WPCIWIFBVJXRLO-UHFFFAOYSA-N 3 2 368.570 0.338 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442596888 248292304 /nfs/dbraw/zinc/29/23/04/248292304.db2.gz WPCIWIFBVJXRLO-UHFFFAOYSA-N 3 2 368.570 0.338 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000442768846 248295282 /nfs/dbraw/zinc/29/52/82/248295282.db2.gz UPEDPTFRLNDOFY-QWHCGFSZSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000442768846 248295285 /nfs/dbraw/zinc/29/52/85/248295285.db2.gz UPEDPTFRLNDOFY-QWHCGFSZSA-N 2 2 354.476 0.511 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771504 248297439 /nfs/dbraw/zinc/29/74/39/248297439.db2.gz TZAJNQGMZRHXAK-DLBZAZTESA-N 3 2 360.502 0.804 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000442771504 248297441 /nfs/dbraw/zinc/29/74/41/248297441.db2.gz TZAJNQGMZRHXAK-DLBZAZTESA-N 3 2 360.502 0.804 20 0 FCADLP CCOC1CC(CNC(=O)C[N@H+](C)[C@H]2CCSC2)([NH+]2CCOCC2)C1 ZINC000443872286 248343505 /nfs/dbraw/zinc/34/35/05/248343505.db2.gz ZMNYLHOBQJVATG-HJOIGYKYSA-N 2 2 371.547 0.810 20 0 FCADLP CCOC1CC(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)([NH+]2CCOCC2)C1 ZINC000443872286 248343508 /nfs/dbraw/zinc/34/35/08/248343508.db2.gz ZMNYLHOBQJVATG-HJOIGYKYSA-N 2 2 371.547 0.810 20 0 FCADLP CCOC1CC(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)([NH+]2CCOCC2)C1 ZINC000444550007 248363861 /nfs/dbraw/zinc/36/38/61/248363861.db2.gz MYCZAYGLHVEOHN-LRYGQEGESA-N 2 2 368.522 0.008 20 0 FCADLP O=C(C[N@@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444768477 248368912 /nfs/dbraw/zinc/36/89/12/248368912.db2.gz FCSNPCIUMTYAQR-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP O=C(C[N@H+](CCO)C1CCOCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444768477 248368913 /nfs/dbraw/zinc/36/89/13/248368913.db2.gz FCSNPCIUMTYAQR-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445783876 248377927 /nfs/dbraw/zinc/37/79/27/248377927.db2.gz QNOYIKSDXFOFOJ-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445783876 248377929 /nfs/dbraw/zinc/37/79/29/248377929.db2.gz QNOYIKSDXFOFOJ-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453711032 249359306 /nfs/dbraw/zinc/35/93/06/249359306.db2.gz PYJATRDKYPAKPA-SFHVURJKSA-N 2 2 374.485 0.965 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000271083434 211329986 /nfs/dbraw/zinc/32/99/86/211329986.db2.gz GQCJHRGSOPGTSZ-IEBWSBKVSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000271083434 211329989 /nfs/dbraw/zinc/32/99/89/211329989.db2.gz GQCJHRGSOPGTSZ-IEBWSBKVSA-N 2 2 361.486 0.972 20 0 FCADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCn3cc[nH+]c3C)CC2)cn1C ZINC000270913639 211298478 /nfs/dbraw/zinc/29/84/78/211298478.db2.gz TYAPZZJAIIJHMW-UHFFFAOYSA-N 2 2 352.464 0.240 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270593417 211231325 /nfs/dbraw/zinc/23/13/25/211231325.db2.gz FLUUIIQLAWLXGH-QGZVFWFLSA-N 2 2 359.474 0.382 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000270593417 211231332 /nfs/dbraw/zinc/23/13/32/211231332.db2.gz FLUUIIQLAWLXGH-QGZVFWFLSA-N 2 2 359.474 0.382 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](NC(N)=O)C3)CC2)cc1 ZINC000270588175 211229135 /nfs/dbraw/zinc/22/91/35/211229135.db2.gz DQQTUNUTDGLBPE-SFHVURJKSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](NC(N)=O)C3)CC2)cc1 ZINC000270588175 211229121 /nfs/dbraw/zinc/22/91/21/211229121.db2.gz DQQTUNUTDGLBPE-SFHVURJKSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](NC(N)=O)C3)CC2)cc1 ZINC000270588175 211229124 /nfs/dbraw/zinc/22/91/24/211229124.db2.gz DQQTUNUTDGLBPE-SFHVURJKSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](NC(N)=O)C3)CC2)cc1 ZINC000270588175 211229129 /nfs/dbraw/zinc/22/91/29/211229129.db2.gz DQQTUNUTDGLBPE-SFHVURJKSA-N 2 2 373.501 0.772 20 0 FCADLP C[NH+](C)CCOc1cc(CNC(=O)NCC[NH+]2CCOCC2)ccn1 ZINC000270584764 211228194 /nfs/dbraw/zinc/22/81/94/211228194.db2.gz RCFOIRCIHHHACI-UHFFFAOYSA-N 2 2 351.451 0.153 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000270550527 211221199 /nfs/dbraw/zinc/22/11/99/211221199.db2.gz UKQNTNXJHHYUOV-CQSZACIVSA-N 2 2 369.425 0.199 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000469983484 250017162 /nfs/dbraw/zinc/01/71/62/250017162.db2.gz PTKHNJLTOLEISZ-RDJZCZTQSA-N 2 2 368.522 0.308 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CC1 ZINC000270383826 211193128 /nfs/dbraw/zinc/19/31/28/211193128.db2.gz KVJPMXXUSMUXJH-SFHVURJKSA-N 2 2 373.501 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000469796106 250005641 /nfs/dbraw/zinc/00/56/41/250005641.db2.gz CRAPMAKHNJZXNL-PMPSAXMXSA-N 2 2 350.507 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000469796106 250005645 /nfs/dbraw/zinc/00/56/45/250005645.db2.gz CRAPMAKHNJZXNL-PMPSAXMXSA-N 2 2 350.507 0.905 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000470365645 250038704 /nfs/dbraw/zinc/03/87/04/250038704.db2.gz QUSPAAIBDUNOAD-UHFFFAOYSA-N 2 2 352.442 0.632 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCO1 ZINC000470454699 250045043 /nfs/dbraw/zinc/04/50/43/250045043.db2.gz AXHLUCTWQXDPEJ-QGZVFWFLSA-N 2 2 363.506 0.859 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCO1 ZINC000470454699 250045047 /nfs/dbraw/zinc/04/50/47/250045047.db2.gz AXHLUCTWQXDPEJ-QGZVFWFLSA-N 2 2 363.506 0.859 20 0 FCADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977205 250083057 /nfs/dbraw/zinc/08/30/57/250083057.db2.gz VQQDXDKIIKSXTN-MRXNPFEDSA-N 2 2 374.551 0.048 20 0 FCADLP CN(CCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977205 250083061 /nfs/dbraw/zinc/08/30/61/250083061.db2.gz VQQDXDKIIKSXTN-MRXNPFEDSA-N 2 2 374.551 0.048 20 0 FCADLP CN(CCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977205 250083063 /nfs/dbraw/zinc/08/30/63/250083063.db2.gz VQQDXDKIIKSXTN-MRXNPFEDSA-N 2 2 374.551 0.048 20 0 FCADLP CN(CCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)S(C)(=O)=O ZINC000470977205 250083068 /nfs/dbraw/zinc/08/30/68/250083068.db2.gz VQQDXDKIIKSXTN-MRXNPFEDSA-N 2 2 374.551 0.048 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470981158 250084618 /nfs/dbraw/zinc/08/46/18/250084618.db2.gz DUEXBLRDAUZHMG-HOCLYGCPSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470981158 250084621 /nfs/dbraw/zinc/08/46/21/250084621.db2.gz DUEXBLRDAUZHMG-HOCLYGCPSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470981158 250084624 /nfs/dbraw/zinc/08/46/24/250084624.db2.gz DUEXBLRDAUZHMG-HOCLYGCPSA-N 2 2 350.507 0.763 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470981158 250084627 /nfs/dbraw/zinc/08/46/27/250084627.db2.gz DUEXBLRDAUZHMG-HOCLYGCPSA-N 2 2 350.507 0.763 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)CC1 ZINC000471754874 250118571 /nfs/dbraw/zinc/11/85/71/250118571.db2.gz DTPIMBPKWHYAEM-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCN1CC[NH+](CCC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)CC1 ZINC000471754874 250118574 /nfs/dbraw/zinc/11/85/74/250118574.db2.gz DTPIMBPKWHYAEM-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000471795360 250121038 /nfs/dbraw/zinc/12/10/38/250121038.db2.gz ZWUAXKLRPQGDRJ-QZTJIDSGSA-N 2 2 358.486 0.617 20 0 FCADLP C[C@H]1C(=O)NCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000472117634 250132996 /nfs/dbraw/zinc/13/29/96/250132996.db2.gz KZFGWJKQPYGQJZ-AWEZNQCLSA-N 2 2 351.495 0.465 20 0 FCADLP O=C1CNC(=O)N1CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000269878143 211104885 /nfs/dbraw/zinc/10/48/85/211104885.db2.gz XMJDMVIKXQYIRD-UHFFFAOYSA-N 2 2 352.358 0.564 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c[nH+]2)CCO1 ZINC000269837348 211094191 /nfs/dbraw/zinc/09/41/91/211094191.db2.gz BBCZCWOVTRFYHB-KBXCAEBGSA-N 2 2 365.478 0.419 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000472951528 250189516 /nfs/dbraw/zinc/18/95/16/250189516.db2.gz MVKOLAMFZLHIFC-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472750552 250179198 /nfs/dbraw/zinc/17/91/98/250179198.db2.gz LFHMGBYJPVRTLF-ZWKOTPCHSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472750552 250179201 /nfs/dbraw/zinc/17/92/01/250179201.db2.gz LFHMGBYJPVRTLF-ZWKOTPCHSA-N 2 2 352.523 0.726 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000269844661 211096462 /nfs/dbraw/zinc/09/64/62/211096462.db2.gz CMMHPKCCFFRMET-KRWDZBQOSA-N 2 2 351.451 0.030 20 0 FCADLP CO[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000474152866 250272798 /nfs/dbraw/zinc/27/27/98/250272798.db2.gz LHDPISCTULQMRM-GOSISDBHSA-N 2 2 368.522 0.354 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000480879970 250291146 /nfs/dbraw/zinc/29/11/46/250291146.db2.gz LREBMAIVJLBXCP-QWHCGFSZSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000480879970 250291153 /nfs/dbraw/zinc/29/11/53/250291153.db2.gz LREBMAIVJLBXCP-QWHCGFSZSA-N 2 2 357.524 0.775 20 0 FCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000480970039 250304185 /nfs/dbraw/zinc/30/41/85/250304185.db2.gz IHGHZGPBOHQPFR-YVSFHVDLSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000480970039 250304188 /nfs/dbraw/zinc/30/41/88/250304188.db2.gz IHGHZGPBOHQPFR-YVSFHVDLSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000480970039 250304192 /nfs/dbraw/zinc/30/41/92/250304192.db2.gz IHGHZGPBOHQPFR-YVSFHVDLSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000480970039 250304196 /nfs/dbraw/zinc/30/41/96/250304196.db2.gz IHGHZGPBOHQPFR-YVSFHVDLSA-N 2 2 368.522 0.306 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000481097955 250315540 /nfs/dbraw/zinc/31/55/40/250315540.db2.gz BAZICNFNVWFNEQ-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481097955 250315543 /nfs/dbraw/zinc/31/55/43/250315543.db2.gz BAZICNFNVWFNEQ-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000481200140 250321550 /nfs/dbraw/zinc/32/15/50/250321550.db2.gz OZCKBLXLPQMUJA-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000481200140 250321556 /nfs/dbraw/zinc/32/15/56/250321556.db2.gz OZCKBLXLPQMUJA-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000481995002 250373038 /nfs/dbraw/zinc/37/30/38/250373038.db2.gz VLNSBPCDWBEVBB-UHFFFAOYSA-N 2 2 368.503 0.231 20 0 FCADLP CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482009024 250374402 /nfs/dbraw/zinc/37/44/02/250374402.db2.gz UAKSVXUCJBFEDP-DZGCQCFKSA-N 2 2 362.540 0.093 20 0 FCADLP Cc1cc(C)n2nc(CC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)nc2n1 ZINC000482006211 250375307 /nfs/dbraw/zinc/37/53/07/250375307.db2.gz HDVYFWZXOMMIBV-UHFFFAOYSA-N 2 2 359.478 0.426 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413499600 533008415 /nfs/dbraw/zinc/00/84/15/533008415.db2.gz NLPGVDABCRMTBT-LSDHHAIUSA-N 2 2 363.462 0.226 20 0 FCADLP COC(=O)[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413499600 533008418 /nfs/dbraw/zinc/00/84/18/533008418.db2.gz NLPGVDABCRMTBT-LSDHHAIUSA-N 2 2 363.462 0.226 20 0 FCADLP C[C@](O)(CNC(=O)NCc1ccccc1-n1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000073865676 208048930 /nfs/dbraw/zinc/04/89/30/208048930.db2.gz CTZBDHHSLSHUIJ-IBGZPJMESA-N 2 2 373.457 0.755 20 0 FCADLP C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000073652474 208049650 /nfs/dbraw/zinc/04/96/50/208049650.db2.gz FORMQHXECBRJQK-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000055016757 208002212 /nfs/dbraw/zinc/00/22/12/208002212.db2.gz PVDWBEGWVRUFFG-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000055016757 208002219 /nfs/dbraw/zinc/00/22/19/208002219.db2.gz PVDWBEGWVRUFFG-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066186277 208017558 /nfs/dbraw/zinc/01/75/58/208017558.db2.gz AMKMYQHLCRDZNT-QGZVFWFLSA-N 2 2 373.505 0.478 20 0 FCADLP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000081524121 208099980 /nfs/dbraw/zinc/09/99/80/208099980.db2.gz QXNWHBPOSXJYLE-QGZVFWFLSA-N 2 2 360.502 0.953 20 0 FCADLP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000081524121 208099982 /nfs/dbraw/zinc/09/99/82/208099982.db2.gz QXNWHBPOSXJYLE-QGZVFWFLSA-N 2 2 360.502 0.953 20 0 FCADLP CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(N)=O ZINC000081605981 208101670 /nfs/dbraw/zinc/10/16/70/208101670.db2.gz DVACLDCAVSXYRP-QGZVFWFLSA-N 2 2 362.474 0.947 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074655320 208058083 /nfs/dbraw/zinc/05/80/83/208058083.db2.gz CPKPGCYITRSZRX-ZWKOTPCHSA-N 2 2 367.538 0.376 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000075836060 208063314 /nfs/dbraw/zinc/06/33/14/208063314.db2.gz YBAPPDQWSKQRSM-QGZVFWFLSA-N 2 2 362.518 0.875 20 0 FCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000075836060 208063320 /nfs/dbraw/zinc/06/33/20/208063320.db2.gz YBAPPDQWSKQRSM-QGZVFWFLSA-N 2 2 362.518 0.875 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000078432903 208080100 /nfs/dbraw/zinc/08/01/00/208080100.db2.gz AGECTXXSXNQBPC-INIZCTEOSA-N 2 2 366.487 0.703 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000082999756 208105096 /nfs/dbraw/zinc/10/50/96/208105096.db2.gz OOLKWDAZVDALQN-UHFFFAOYSA-N 2 2 373.501 0.527 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093664869 208157659 /nfs/dbraw/zinc/15/76/59/208157659.db2.gz KUNSPQGCLADQMD-KRWDZBQOSA-N 2 2 360.506 0.383 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)cn2)CC1 ZINC000093664869 208157665 /nfs/dbraw/zinc/15/76/65/208157665.db2.gz KUNSPQGCLADQMD-KRWDZBQOSA-N 2 2 360.506 0.383 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)cn2)CC1 ZINC000093664869 208157671 /nfs/dbraw/zinc/15/76/71/208157671.db2.gz KUNSPQGCLADQMD-KRWDZBQOSA-N 2 2 360.506 0.383 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000101691588 208165516 /nfs/dbraw/zinc/16/55/16/208165516.db2.gz REZDOBHFOBOSGK-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(-n2cnnn2)c1 ZINC000101691588 208165523 /nfs/dbraw/zinc/16/55/23/208165523.db2.gz REZDOBHFOBOSGK-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000101640047 208166095 /nfs/dbraw/zinc/16/60/95/208166095.db2.gz NRLVZKUJYFFCSV-IBGZPJMESA-N 2 2 373.545 0.951 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C(N)=O)CCCC1 ZINC000093213521 208154430 /nfs/dbraw/zinc/15/44/30/208154430.db2.gz XKTSCNYRMHZBJG-UHFFFAOYSA-N 2 2 359.474 0.850 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C(N)=O)CCCC1 ZINC000093213521 208154437 /nfs/dbraw/zinc/15/44/37/208154437.db2.gz XKTSCNYRMHZBJG-UHFFFAOYSA-N 2 2 359.474 0.850 20 0 FCADLP C[C@H]([C@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1)S(C)(=O)=O ZINC000093421215 208156674 /nfs/dbraw/zinc/15/66/74/208156674.db2.gz CKTCRUALWNMTOY-UONOGXRCSA-N 2 2 355.508 0.482 20 0 FCADLP C[C@H]([C@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1)S(C)(=O)=O ZINC000093421215 208156679 /nfs/dbraw/zinc/15/66/79/208156679.db2.gz CKTCRUALWNMTOY-UONOGXRCSA-N 2 2 355.508 0.482 20 0 FCADLP Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000106041360 208206524 /nfs/dbraw/zinc/20/65/24/208206524.db2.gz KCCDIHMKWOCNPQ-UHFFFAOYSA-N 2 2 373.501 0.700 20 0 FCADLP Cc1ocnc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041163 208207320 /nfs/dbraw/zinc/20/73/20/208207320.db2.gz JCDJQVBQJILOON-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP C[C@@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[N@H+](C)C1CC1 ZINC000105177890 208193921 /nfs/dbraw/zinc/19/39/21/208193921.db2.gz IPOCQTKUDOJAGU-WMLDXEAASA-N 2 2 356.536 0.976 20 0 FCADLP C[C@@H](CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[N@@H+](C)C1CC1 ZINC000105177890 208193927 /nfs/dbraw/zinc/19/39/27/208193927.db2.gz IPOCQTKUDOJAGU-WMLDXEAASA-N 2 2 356.536 0.976 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000105177878 208194220 /nfs/dbraw/zinc/19/42/20/208194220.db2.gz CNZDQDIUIQBVEI-WBVHZDCISA-N 2 2 356.536 0.930 20 0 FCADLP CCO[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041308 208205604 /nfs/dbraw/zinc/20/56/04/208205604.db2.gz PYMLUSHXVDMFJO-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)(C)[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(N)=O ZINC000106444435 208222655 /nfs/dbraw/zinc/22/26/55/208222655.db2.gz JFMFBMWOGOWSJV-MRXNPFEDSA-N 2 2 368.522 0.627 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000106530941 208226284 /nfs/dbraw/zinc/22/62/84/208226284.db2.gz ZHLHIDFIBSDELC-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109795303 208264006 /nfs/dbraw/zinc/26/40/06/208264006.db2.gz QXXFZPXXQPMHAU-UHFFFAOYSA-N 2 2 363.443 0.806 20 0 FCADLP CCN(C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000109793316 208264102 /nfs/dbraw/zinc/26/41/02/208264102.db2.gz USFFNCNDBMWNMS-OAHLLOKOSA-N 2 2 354.476 0.556 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000110052394 208265741 /nfs/dbraw/zinc/26/57/41/208265741.db2.gz VAPYPZYBBNLGAP-HNNXBMFYSA-N 2 2 358.486 0.760 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000110052394 208265748 /nfs/dbraw/zinc/26/57/48/208265748.db2.gz VAPYPZYBBNLGAP-HNNXBMFYSA-N 2 2 358.486 0.760 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000112204978 208289727 /nfs/dbraw/zinc/28/97/27/208289727.db2.gz MOVFIUGAGNRGMH-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112212510 208289902 /nfs/dbraw/zinc/28/99/02/208289902.db2.gz DJEPLNDSOFZOAD-KRWDZBQOSA-N 2 2 354.495 0.463 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC1CC1 ZINC000112983170 208302935 /nfs/dbraw/zinc/30/29/35/208302935.db2.gz PQDXKWNJHWUJJQ-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CC1CC1 ZINC000112983170 208302942 /nfs/dbraw/zinc/30/29/42/208302942.db2.gz PQDXKWNJHWUJJQ-UHFFFAOYSA-N 2 2 357.462 0.744 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)CC1 ZINC000118834928 208351673 /nfs/dbraw/zinc/35/16/73/208351673.db2.gz AFEVXTXWMXMHOT-QGZVFWFLSA-N 2 2 365.522 0.857 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)CC1 ZINC000118834928 208351674 /nfs/dbraw/zinc/35/16/74/208351674.db2.gz AFEVXTXWMXMHOT-QGZVFWFLSA-N 2 2 365.522 0.857 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000121224941 208399423 /nfs/dbraw/zinc/39/94/23/208399423.db2.gz IJXDCNNLDHTGHC-KRWDZBQOSA-N 2 2 361.490 0.431 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000266714049 210388490 /nfs/dbraw/zinc/38/84/90/210388490.db2.gz BWADVBHGBQLGCZ-UHFFFAOYSA-N 2 2 361.446 0.289 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000266585678 210362301 /nfs/dbraw/zinc/36/23/01/210362301.db2.gz ZJDSZCKMEJTSPZ-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000266585678 210362304 /nfs/dbraw/zinc/36/23/04/210362304.db2.gz ZJDSZCKMEJTSPZ-UHFFFAOYSA-N 2 2 365.478 0.686 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000266097380 210281796 /nfs/dbraw/zinc/28/17/96/210281796.db2.gz GQKOAKASCOXVER-GOSISDBHSA-N 2 2 362.474 0.463 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000266097380 210281799 /nfs/dbraw/zinc/28/17/99/210281799.db2.gz GQKOAKASCOXVER-GOSISDBHSA-N 2 2 362.474 0.463 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@@H+]1C ZINC000180886219 209102942 /nfs/dbraw/zinc/10/29/42/209102942.db2.gz JTEYLCTUGDIFCW-HOCLYGCPSA-N 2 2 355.504 0.872 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000180886219 209102947 /nfs/dbraw/zinc/10/29/47/209102947.db2.gz JTEYLCTUGDIFCW-HOCLYGCPSA-N 2 2 355.504 0.872 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000176410104 209003265 /nfs/dbraw/zinc/00/32/65/209003265.db2.gz PYKVKSXITLLEKH-QGZVFWFLSA-N 2 2 367.538 0.376 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000177130686 209017972 /nfs/dbraw/zinc/01/79/72/209017972.db2.gz CZEGVZBGZPENJD-UHFFFAOYSA-N 2 2 358.442 0.425 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H]1C ZINC000177881661 209037686 /nfs/dbraw/zinc/03/76/86/209037686.db2.gz UNXYBPPTEAJIIE-ZIAGYGMSSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H]1C ZINC000177881661 209037689 /nfs/dbraw/zinc/03/76/89/209037689.db2.gz UNXYBPPTEAJIIE-ZIAGYGMSSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000177881675 209038090 /nfs/dbraw/zinc/03/80/90/209038090.db2.gz UNXYBPPTEAJIIE-UONOGXRCSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000177881675 209038093 /nfs/dbraw/zinc/03/80/93/209038093.db2.gz UNXYBPPTEAJIIE-UONOGXRCSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178069522 209041583 /nfs/dbraw/zinc/04/15/83/209041583.db2.gz ZXGFVZZITXRCCR-GFCCVEGCSA-N 2 2 357.451 0.654 20 0 FCADLP C[NH2+]CCCC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000178732415 209060036 /nfs/dbraw/zinc/06/00/36/209060036.db2.gz NYNDWSFZFRONMS-UHFFFAOYSA-N 2 2 354.476 0.561 20 0 FCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178784193 209061010 /nfs/dbraw/zinc/06/10/10/209061010.db2.gz JLECIOJLMISYCC-MSOLQXFVSA-N 2 2 360.527 0.893 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000178884269 209064532 /nfs/dbraw/zinc/06/45/32/209064532.db2.gz RADIVOFVHLCPRJ-RTBURBONSA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000178884269 209064535 /nfs/dbraw/zinc/06/45/35/209064535.db2.gz RADIVOFVHLCPRJ-RTBURBONSA-N 2 2 360.502 0.940 20 0 FCADLP [NH3+][C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000178819227 209062252 /nfs/dbraw/zinc/06/22/52/209062252.db2.gz ULJXFOYIBORZSZ-IRXDYDNUSA-N 2 2 360.458 0.126 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000178855417 209063781 /nfs/dbraw/zinc/06/37/81/209063781.db2.gz LYGFDMDXNABOOR-APWZRJJASA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000178855424 209063996 /nfs/dbraw/zinc/06/39/96/209063996.db2.gz LYGFDMDXNABOOR-QFBILLFUSA-N 2 2 370.497 0.856 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413323939 533478510 /nfs/dbraw/zinc/47/85/10/533478510.db2.gz IWXPYXFNPYMPSZ-HNNXBMFYSA-N 2 2 351.451 0.718 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413323939 533478515 /nfs/dbraw/zinc/47/85/15/533478515.db2.gz IWXPYXFNPYMPSZ-HNNXBMFYSA-N 2 2 351.451 0.718 20 0 FCADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+]1CCSCC1 ZINC000179155302 209074360 /nfs/dbraw/zinc/07/43/60/209074360.db2.gz OGCDJBWHRFMGTH-AWEZNQCLSA-N 2 2 350.488 0.972 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000179281158 209075310 /nfs/dbraw/zinc/07/53/10/209075310.db2.gz RCGMOUAHTDVIGE-MRXNPFEDSA-N 2 2 351.495 0.465 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000179291731 209076106 /nfs/dbraw/zinc/07/61/06/209076106.db2.gz HCSAFZPLIWDZIH-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC1(O)CCOCC1 ZINC000189780736 229256051 /nfs/dbraw/zinc/25/60/51/229256051.db2.gz BNNJMEFHPQOWFF-MRXNPFEDSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189780736 229256056 /nfs/dbraw/zinc/25/60/56/229256056.db2.gz BNNJMEFHPQOWFF-MRXNPFEDSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H](C)CO ZINC000190810306 229262342 /nfs/dbraw/zinc/26/23/42/229262342.db2.gz ZQWZZKXMYQHGRC-GJZGRUSLSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H](C)CO ZINC000190810306 229262345 /nfs/dbraw/zinc/26/23/45/229262345.db2.gz ZQWZZKXMYQHGRC-GJZGRUSLSA-N 2 2 355.504 0.456 20 0 FCADLP C[C@@H]1CN(CC[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000193399269 229267908 /nfs/dbraw/zinc/26/79/08/229267908.db2.gz GJOMYRYAYAKFHB-CALCHBBNSA-N 2 2 362.522 0.769 20 0 FCADLP C[C@@H]1CN(CC[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000193399269 229267917 /nfs/dbraw/zinc/26/79/17/229267917.db2.gz GJOMYRYAYAKFHB-CALCHBBNSA-N 2 2 362.522 0.769 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000193399269 229267923 /nfs/dbraw/zinc/26/79/23/229267923.db2.gz GJOMYRYAYAKFHB-CALCHBBNSA-N 2 2 362.522 0.769 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000193399269 229267925 /nfs/dbraw/zinc/26/79/25/229267925.db2.gz GJOMYRYAYAKFHB-CALCHBBNSA-N 2 2 362.522 0.769 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000410611350 230153285 /nfs/dbraw/zinc/15/32/85/230153285.db2.gz SDHQAPGNHKAMSS-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000410636519 230163423 /nfs/dbraw/zinc/16/34/23/230163423.db2.gz XREFYGZHELVZTA-IYBDPMFKSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000410636519 230163425 /nfs/dbraw/zinc/16/34/25/230163425.db2.gz XREFYGZHELVZTA-IYBDPMFKSA-N 2 2 368.522 0.354 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)CC2)cc[nH+]1 ZINC000410729873 230222260 /nfs/dbraw/zinc/22/22/60/230222260.db2.gz KTHWDFBKQKTUHA-INIZCTEOSA-N 2 2 374.489 0.232 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)CC2)cc[nH+]1 ZINC000410729873 230222265 /nfs/dbraw/zinc/22/22/65/230222265.db2.gz KTHWDFBKQKTUHA-INIZCTEOSA-N 2 2 374.489 0.232 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000410972633 230332107 /nfs/dbraw/zinc/33/21/07/230332107.db2.gz HQGUDAALHVVHIN-BRWVUGGUSA-N 2 2 373.501 0.754 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000410972633 230332111 /nfs/dbraw/zinc/33/21/11/230332111.db2.gz HQGUDAALHVVHIN-BRWVUGGUSA-N 2 2 373.501 0.754 20 0 FCADLP CCc1noc(COCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932621030 674204475 /nfs/dbraw/zinc/20/44/75/674204475.db2.gz FAIDZSXOUDLYMA-CYBMUJFWSA-N 2 2 351.451 0.433 20 0 FCADLP CCc1noc(COCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932621030 674204480 /nfs/dbraw/zinc/20/44/80/674204480.db2.gz FAIDZSXOUDLYMA-CYBMUJFWSA-N 2 2 351.451 0.433 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)CC2)c1 ZINC000278290110 488865772 /nfs/dbraw/zinc/86/57/72/488865772.db2.gz ACDQOBBZDYJCPI-CYBMUJFWSA-N 2 2 356.430 0.853 20 0 FCADLP C[N@H+](CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C1CC1 ZINC000524155482 484126449 /nfs/dbraw/zinc/12/64/49/484126449.db2.gz QYZYGGMKMSHJIB-UHFFFAOYSA-N 2 2 353.492 0.524 20 0 FCADLP C[N@@H+](CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C1CC1 ZINC000524155482 484126454 /nfs/dbraw/zinc/12/64/54/484126454.db2.gz QYZYGGMKMSHJIB-UHFFFAOYSA-N 2 2 353.492 0.524 20 0 FCADLP C[C@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000363673634 488872223 /nfs/dbraw/zinc/87/22/23/488872223.db2.gz RTSRQTKXMSPBIO-FGTMMUONSA-N 2 2 366.550 0.970 20 0 FCADLP C[C@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000363673634 488872224 /nfs/dbraw/zinc/87/22/24/488872224.db2.gz RTSRQTKXMSPBIO-FGTMMUONSA-N 2 2 366.550 0.970 20 0 FCADLP CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000301056069 488875761 /nfs/dbraw/zinc/87/57/61/488875761.db2.gz KBLHALRXSWSUHN-UHFFFAOYSA-N 2 2 353.492 0.160 20 0 FCADLP CC[N@@H+]1CCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000301519538 488880923 /nfs/dbraw/zinc/88/09/23/488880923.db2.gz KVTVHNURCAJBND-UHFFFAOYSA-N 2 2 367.519 0.550 20 0 FCADLP CC[N@H+]1CCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000301519538 488880925 /nfs/dbraw/zinc/88/09/25/488880925.db2.gz KVTVHNURCAJBND-UHFFFAOYSA-N 2 2 367.519 0.550 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000363763584 488882885 /nfs/dbraw/zinc/88/28/85/488882885.db2.gz ZPVTWISFWZNETB-USXIJHARSA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000363763584 488882886 /nfs/dbraw/zinc/88/28/86/488882886.db2.gz ZPVTWISFWZNETB-USXIJHARSA-N 2 2 363.506 0.608 20 0 FCADLP C[C@H](CC[NH+](C)C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000301382680 488879342 /nfs/dbraw/zinc/87/93/42/488879342.db2.gz VFDHTGLOYMBKKP-CQSZACIVSA-N 2 2 355.508 0.770 20 0 FCADLP NC(=O)c1c[nH+]ccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000302210807 488888787 /nfs/dbraw/zinc/88/87/87/488888787.db2.gz GOMYQVRBRUGEHA-UHFFFAOYSA-N 2 2 354.414 0.726 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000562795686 491189767 /nfs/dbraw/zinc/18/97/67/491189767.db2.gz RDVNXHVOMHNSQD-MSOLQXFVSA-N 2 2 362.474 0.656 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660967 488892452 /nfs/dbraw/zinc/89/24/52/488892452.db2.gz CLHCBENGRMVFKZ-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287660967 488892455 /nfs/dbraw/zinc/89/24/55/488892455.db2.gz CLHCBENGRMVFKZ-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP COc1ccccc1N1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000562796829 491189871 /nfs/dbraw/zinc/18/98/71/491189871.db2.gz IYPQLKQJFJWWTF-HZPDHXFCSA-N 2 2 361.490 0.806 20 0 FCADLP COc1ccccc1N1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000562796829 491189872 /nfs/dbraw/zinc/18/98/72/491189872.db2.gz IYPQLKQJFJWWTF-HZPDHXFCSA-N 2 2 361.490 0.806 20 0 FCADLP O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000278807692 488897252 /nfs/dbraw/zinc/89/72/52/488897252.db2.gz OZQJODJVWWDHCR-IKGGRYGDSA-N 2 2 367.877 0.631 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000278956729 488907468 /nfs/dbraw/zinc/90/74/68/488907468.db2.gz HQHVHCDSZMUOPD-AWEZNQCLSA-N 2 2 362.478 0.113 20 0 FCADLP C[C@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000364052573 488918415 /nfs/dbraw/zinc/91/84/15/488918415.db2.gz DYONELKBTXZBHN-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP C[C@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[NH+]1CCN(C)CC1 ZINC000364052573 488918417 /nfs/dbraw/zinc/91/84/17/488918417.db2.gz DYONELKBTXZBHN-QGZVFWFLSA-N 2 2 352.523 0.583 20 0 FCADLP C[NH+]1CCC(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000562803848 491190567 /nfs/dbraw/zinc/19/05/67/491190567.db2.gz DZMONGKROLHJAZ-KRWDZBQOSA-N 3 2 367.538 0.696 20 0 FCADLP CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364256273 488940625 /nfs/dbraw/zinc/94/06/25/488940625.db2.gz MIJDQZAKMPZOLN-GOEBONIOSA-N 2 2 374.489 0.390 20 0 FCADLP CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364256273 488940628 /nfs/dbraw/zinc/94/06/28/488940628.db2.gz MIJDQZAKMPZOLN-GOEBONIOSA-N 2 2 374.489 0.390 20 0 FCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364256272 488940801 /nfs/dbraw/zinc/94/08/01/488940801.db2.gz MIJDQZAKMPZOLN-GDBMZVCRSA-N 2 2 374.489 0.390 20 0 FCADLP CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364256272 488940802 /nfs/dbraw/zinc/94/08/02/488940802.db2.gz MIJDQZAKMPZOLN-GDBMZVCRSA-N 2 2 374.489 0.390 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328773565 488936873 /nfs/dbraw/zinc/93/68/73/488936873.db2.gz RUYSZMHTROOBLT-INIZCTEOSA-N 2 2 358.490 0.966 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328773565 488936876 /nfs/dbraw/zinc/93/68/76/488936876.db2.gz RUYSZMHTROOBLT-INIZCTEOSA-N 2 2 358.490 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccs3)C2)CC1 ZINC000364229557 488938299 /nfs/dbraw/zinc/93/82/99/488938299.db2.gz HNNPZAOYIUFPFA-CYBMUJFWSA-N 2 2 350.488 0.763 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccs3)C2)CC1 ZINC000364229557 488938302 /nfs/dbraw/zinc/93/83/02/488938302.db2.gz HNNPZAOYIUFPFA-CYBMUJFWSA-N 2 2 350.488 0.763 20 0 FCADLP CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]CC[NH+](C)C)CC2)cc1 ZINC000364232864 488938796 /nfs/dbraw/zinc/93/87/96/488938796.db2.gz BPZKMTPSMAXOHP-UHFFFAOYSA-N 2 2 368.503 0.949 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000288117476 488945076 /nfs/dbraw/zinc/94/50/76/488945076.db2.gz XTIIEMJVSCYWNB-HOTGVXAUSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000288117476 488945078 /nfs/dbraw/zinc/94/50/78/488945078.db2.gz XTIIEMJVSCYWNB-HOTGVXAUSA-N 2 2 373.501 0.886 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000328990528 488958920 /nfs/dbraw/zinc/95/89/20/488958920.db2.gz CYZAICMEZIMDAM-OAGGEKHMSA-N 2 2 351.495 0.620 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000328990528 488958922 /nfs/dbraw/zinc/95/89/22/488958922.db2.gz CYZAICMEZIMDAM-OAGGEKHMSA-N 2 2 351.495 0.620 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000025407603 487665737 /nfs/dbraw/zinc/66/57/37/487665737.db2.gz GIRJPKZZIIBKIJ-UHFFFAOYSA-N 2 2 357.462 0.888 20 0 FCADLP C[NH+](C)CCOc1ccc(CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000042950185 487884100 /nfs/dbraw/zinc/88/41/00/487884100.db2.gz FDGDGPSTCDDUBM-UHFFFAOYSA-N 2 2 350.463 0.758 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccs1 ZINC000043144004 487892744 /nfs/dbraw/zinc/89/27/44/487892744.db2.gz BOSSUYPFVVYPFU-CQSZACIVSA-N 2 2 367.519 0.814 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000043179627 487893883 /nfs/dbraw/zinc/89/38/83/487893883.db2.gz WXARJGULXFHYKC-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000048173142 488061401 /nfs/dbraw/zinc/06/14/01/488061401.db2.gz RPINEXVQIPKNHS-UHFFFAOYSA-N 2 2 372.473 0.854 20 0 FCADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762792 488144823 /nfs/dbraw/zinc/14/48/23/488144823.db2.gz UPJSYNFVKGFGOB-MRXNPFEDSA-N 2 2 358.486 0.666 20 0 FCADLP CCCNC(=O)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777732 488146227 /nfs/dbraw/zinc/14/62/27/488146227.db2.gz ATSPSPRQPYLTBP-UHFFFAOYSA-N 2 2 353.511 0.761 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000052621706 488174002 /nfs/dbraw/zinc/17/40/02/488174002.db2.gz CWZFZOOGZQDWOW-UHFFFAOYSA-N 2 2 371.441 0.860 20 0 FCADLP O=C(C[N@H+]1CCCC[C@H]1CO)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052871464 488185496 /nfs/dbraw/zinc/18/54/96/488185496.db2.gz MIHXLHDLDPNLBQ-KRWDZBQOSA-N 2 2 353.507 0.985 20 0 FCADLP O=C(C[N@@H+]1CCCC[C@H]1CO)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052871464 488185504 /nfs/dbraw/zinc/18/55/04/488185504.db2.gz MIHXLHDLDPNLBQ-KRWDZBQOSA-N 2 2 353.507 0.985 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000054171191 488218850 /nfs/dbraw/zinc/21/88/50/488218850.db2.gz SXMOYPKBMYJUBR-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329126135 488971565 /nfs/dbraw/zinc/97/15/65/488971565.db2.gz UBWBSJDLDMVPQA-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329126135 488971566 /nfs/dbraw/zinc/97/15/66/488971566.db2.gz UBWBSJDLDMVPQA-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1csc(CC[NH3+])n1 ZINC000279861692 488972413 /nfs/dbraw/zinc/97/24/13/488972413.db2.gz BNEKVBWXHHZJNV-CQSZACIVSA-N 2 2 374.514 0.980 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000063723959 488307511 /nfs/dbraw/zinc/30/75/11/488307511.db2.gz SWOIWJIUQVSVJH-UHFFFAOYSA-N 2 2 357.458 0.831 20 0 FCADLP O=C(CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1CC[NH2+]CC1 ZINC000562813231 491191431 /nfs/dbraw/zinc/19/14/31/491191431.db2.gz SQDKUIWDAWQJLY-UHFFFAOYSA-N 2 2 362.478 0.517 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)CC1 ZINC000066568425 488331606 /nfs/dbraw/zinc/33/16/06/488331606.db2.gz UKIJASMIMYXSQY-AWEZNQCLSA-N 2 2 367.494 0.097 20 0 FCADLP C[C@H]1C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1C ZINC000072872558 488383151 /nfs/dbraw/zinc/38/31/51/488383151.db2.gz XUTXWJUPFSCHCJ-KBPBESRZSA-N 2 2 357.462 0.600 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccco1 ZINC000073443344 488384539 /nfs/dbraw/zinc/38/45/39/488384539.db2.gz PCXBOIOYNIEKFT-PBHICJAKSA-N 2 2 354.451 0.265 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000073774869 488386239 /nfs/dbraw/zinc/38/62/39/488386239.db2.gz PLFLHHJOJJWLIE-KRWDZBQOSA-N 2 2 367.538 0.914 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000074216815 488389194 /nfs/dbraw/zinc/38/91/94/488389194.db2.gz VOESHVBXEMXXCU-LSDHHAIUSA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000074216815 488389196 /nfs/dbraw/zinc/38/91/96/488389196.db2.gz VOESHVBXEMXXCU-LSDHHAIUSA-N 2 2 362.540 0.477 20 0 FCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182697120 488389262 /nfs/dbraw/zinc/38/92/62/488389262.db2.gz BTJFRSVOVBOXDG-OAHLLOKOSA-N 2 2 368.503 0.533 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000562831848 491194812 /nfs/dbraw/zinc/19/48/12/491194812.db2.gz ZRKFTGXGXDYRGJ-QPJJXVBHSA-N 2 2 370.497 0.960 20 0 FCADLP C(CN1CCOCC1)C[N@H+]1CCCN(CCC[NH+]2CCOCC2)CC1 ZINC000075611549 488398017 /nfs/dbraw/zinc/39/80/17/488398017.db2.gz DWJUIOUSCPWVGY-UHFFFAOYSA-N 2 2 354.539 0.439 20 0 FCADLP C(CN1CCOCC1)C[N@@H+]1CCCN(CCC[NH+]2CCOCC2)CC1 ZINC000075611549 488398018 /nfs/dbraw/zinc/39/80/18/488398018.db2.gz DWJUIOUSCPWVGY-UHFFFAOYSA-N 2 2 354.539 0.439 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000185826098 488402868 /nfs/dbraw/zinc/40/28/68/488402868.db2.gz LOIAFEXITRWDNF-DLBZAZTESA-N 2 2 355.527 0.280 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000185826098 488402871 /nfs/dbraw/zinc/40/28/71/488402871.db2.gz LOIAFEXITRWDNF-DLBZAZTESA-N 2 2 355.527 0.280 20 0 FCADLP CC(C)C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000077745933 488417374 /nfs/dbraw/zinc/41/73/74/488417374.db2.gz KQEQSSPPVCNZBP-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000191563558 488420902 /nfs/dbraw/zinc/42/09/02/488420902.db2.gz YPHDAZRFMQVZNT-FHWLQOOXSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000191563558 488420905 /nfs/dbraw/zinc/42/09/05/488420905.db2.gz YPHDAZRFMQVZNT-FHWLQOOXSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000191563558 488420908 /nfs/dbraw/zinc/42/09/08/488420908.db2.gz YPHDAZRFMQVZNT-FHWLQOOXSA-N 2 2 354.539 0.434 20 0 FCADLP COc1ccnc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000569839216 491197355 /nfs/dbraw/zinc/19/73/55/491197355.db2.gz HWXONSIHSUVHBF-UHFFFAOYSA-N 2 2 362.478 0.843 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000079061176 488426938 /nfs/dbraw/zinc/42/69/38/488426938.db2.gz KTIVPHXFKQJCMG-OAHLLOKOSA-N 2 2 366.487 0.239 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000079061176 488426939 /nfs/dbraw/zinc/42/69/39/488426939.db2.gz KTIVPHXFKQJCMG-OAHLLOKOSA-N 2 2 366.487 0.239 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccsc1 ZINC000079235337 488428628 /nfs/dbraw/zinc/42/86/28/488428628.db2.gz QIEZVNLXEKMRKP-HNNXBMFYSA-N 2 2 367.519 0.814 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000080005564 488432897 /nfs/dbraw/zinc/43/28/97/488432897.db2.gz ZCBJIMKLYVRRNO-GOSISDBHSA-N 2 2 374.485 0.662 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000080005564 488432899 /nfs/dbraw/zinc/43/28/99/488432899.db2.gz ZCBJIMKLYVRRNO-GOSISDBHSA-N 2 2 374.485 0.662 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000080176073 488434381 /nfs/dbraw/zinc/43/43/81/488434381.db2.gz FXAHZGVJELIRFV-AWEZNQCLSA-N 2 2 359.430 0.967 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000083700694 488447886 /nfs/dbraw/zinc/44/78/86/488447886.db2.gz JSPMFUJUQQHEDG-QZTJIDSGSA-N 2 2 370.538 0.831 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C(C)(C)C[NH3+])CC2)cc1 ZINC000237130354 488454656 /nfs/dbraw/zinc/45/46/56/488454656.db2.gz LHUNTLKAIZTBBY-UHFFFAOYSA-N 2 2 362.474 0.554 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC3([NH3+])CCC3)CC2)cc1 ZINC000237442329 488455489 /nfs/dbraw/zinc/45/54/89/488455489.db2.gz LGFSZKFIWTWBBH-UHFFFAOYSA-N 2 2 374.485 0.841 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268899898 488455936 /nfs/dbraw/zinc/45/59/36/488455936.db2.gz SBLAPWRXWJMTCP-GOSISDBHSA-N 2 2 363.481 0.899 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268899898 488455937 /nfs/dbraw/zinc/45/59/37/488455937.db2.gz SBLAPWRXWJMTCP-GOSISDBHSA-N 2 2 363.481 0.899 20 0 FCADLP [NH3+]Cc1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000237962234 488457754 /nfs/dbraw/zinc/45/77/54/488457754.db2.gz SWAXLHUQLFCWCJ-UHFFFAOYSA-N 2 2 356.426 0.813 20 0 FCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000245598711 488465373 /nfs/dbraw/zinc/46/53/73/488465373.db2.gz LZDKDMYBIYQLBZ-HIFRSBDPSA-N 2 2 356.492 0.547 20 0 FCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000245598711 488465375 /nfs/dbraw/zinc/46/53/75/488465375.db2.gz LZDKDMYBIYQLBZ-HIFRSBDPSA-N 2 2 356.492 0.547 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092921076 488476670 /nfs/dbraw/zinc/47/66/70/488476670.db2.gz LCIXGMKZSROPBS-AWEZNQCLSA-N 2 2 370.461 0.377 20 0 FCADLP CN(CC(=O)NC1CC1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269218688 488479821 /nfs/dbraw/zinc/47/98/21/488479821.db2.gz XUTCZMNMOGDWFD-KRWDZBQOSA-N 2 2 355.442 0.538 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000247031939 488480232 /nfs/dbraw/zinc/48/02/32/488480232.db2.gz MKTXAONWSBNYFQ-DJIMGWMZSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000247031957 488480727 /nfs/dbraw/zinc/48/07/27/488480727.db2.gz MKTXAONWSBNYFQ-HYVNUMGLSA-N 2 2 365.522 0.854 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1F ZINC000269236089 488481384 /nfs/dbraw/zinc/48/13/84/488481384.db2.gz MWHQEHFFGQAVCZ-HNNXBMFYSA-N 2 2 351.422 0.857 20 0 FCADLP O=C(C[C@H]1C[NH2+]CCO1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000269253938 488482714 /nfs/dbraw/zinc/48/27/14/488482714.db2.gz QVVNAXXHHARETK-SFHVURJKSA-N 2 2 363.458 0.392 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000269252067 488483080 /nfs/dbraw/zinc/48/30/80/488483080.db2.gz HHRGCOFUHOIVJS-QGZVFWFLSA-N 2 2 362.474 0.553 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269269011 488484606 /nfs/dbraw/zinc/48/46/06/488484606.db2.gz QTVXRHXYBIQGPL-DLBZAZTESA-N 2 2 361.490 0.477 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340918 488484756 /nfs/dbraw/zinc/48/47/56/488484756.db2.gz ZWWJSPODHIFVJH-NXHRZFHOSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340918 488484757 /nfs/dbraw/zinc/48/47/57/488484757.db2.gz ZWWJSPODHIFVJH-NXHRZFHOSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340918 488484759 /nfs/dbraw/zinc/48/47/59/488484759.db2.gz ZWWJSPODHIFVJH-NXHRZFHOSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000247340918 488484760 /nfs/dbraw/zinc/48/47/60/488484760.db2.gz ZWWJSPODHIFVJH-NXHRZFHOSA-N 2 2 371.485 0.475 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247870000 488490907 /nfs/dbraw/zinc/49/09/07/488490907.db2.gz XKFUTQHWXVJWMG-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247870000 488490910 /nfs/dbraw/zinc/49/09/10/488490910.db2.gz XKFUTQHWXVJWMG-IKGGRYGDSA-N 2 2 355.527 0.421 20 0 FCADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]12 ZINC000248607326 488499138 /nfs/dbraw/zinc/49/91/38/488499138.db2.gz KEHOKOBODKLAOM-YESZJQIVSA-N 2 2 371.485 0.706 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105134947 488508069 /nfs/dbraw/zinc/50/80/69/488508069.db2.gz NOCKWYGXUKUSJA-ZWKOTPCHSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105134947 488508071 /nfs/dbraw/zinc/50/80/71/488508071.db2.gz NOCKWYGXUKUSJA-ZWKOTPCHSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249511722 488510891 /nfs/dbraw/zinc/51/08/91/488510891.db2.gz IIDLZBKHXVUURV-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1COCCN1CC[N@@H+]1C[C@@H](C)N(CC[NH+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249511722 488510893 /nfs/dbraw/zinc/51/08/93/488510893.db2.gz IIDLZBKHXVUURV-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1C[C@@H](C)N(CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249511722 488510895 /nfs/dbraw/zinc/51/08/95/488510895.db2.gz IIDLZBKHXVUURV-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1C[C@@H](C)N(CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249511722 488510897 /nfs/dbraw/zinc/51/08/97/488510897.db2.gz IIDLZBKHXVUURV-IYWMVGAKSA-N 2 2 368.566 0.822 20 0 FCADLP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249600677 488513152 /nfs/dbraw/zinc/51/31/52/488513152.db2.gz YBWNTPALWGLLRF-PMACEKPBSA-N 2 2 363.502 0.248 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249600677 488513153 /nfs/dbraw/zinc/51/31/53/488513153.db2.gz YBWNTPALWGLLRF-PMACEKPBSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@H](O)CN1CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249600677 488513155 /nfs/dbraw/zinc/51/31/55/488513155.db2.gz YBWNTPALWGLLRF-PMACEKPBSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@H](O)CN1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249600677 488513156 /nfs/dbraw/zinc/51/31/56/488513156.db2.gz YBWNTPALWGLLRF-PMACEKPBSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249600677 488513158 /nfs/dbraw/zinc/51/31/58/488513158.db2.gz YBWNTPALWGLLRF-PMACEKPBSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249600677 488513159 /nfs/dbraw/zinc/51/31/59/488513159.db2.gz YBWNTPALWGLLRF-PMACEKPBSA-N 2 2 363.502 0.248 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249819500 488514499 /nfs/dbraw/zinc/51/44/99/488514499.db2.gz MTABSVKYAQNOKL-WMZOPIPTSA-N 2 2 373.501 0.967 20 0 FCADLP CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000249819500 488514500 /nfs/dbraw/zinc/51/45/00/488514500.db2.gz MTABSVKYAQNOKL-WMZOPIPTSA-N 2 2 373.501 0.967 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106524996 488514811 /nfs/dbraw/zinc/51/48/11/488514811.db2.gz DUFWVISHORERIY-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000106524996 488514813 /nfs/dbraw/zinc/51/48/13/488514813.db2.gz DUFWVISHORERIY-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000251710856 488516438 /nfs/dbraw/zinc/51/64/38/488516438.db2.gz KKWXRDXFQHJWOQ-ZWKOTPCHSA-N 2 2 361.490 0.876 20 0 FCADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000251710856 488516439 /nfs/dbraw/zinc/51/64/39/488516439.db2.gz KKWXRDXFQHJWOQ-ZWKOTPCHSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000251710856 488516440 /nfs/dbraw/zinc/51/64/40/488516440.db2.gz KKWXRDXFQHJWOQ-ZWKOTPCHSA-N 2 2 361.490 0.876 20 0 FCADLP C[NH+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000251710856 488516441 /nfs/dbraw/zinc/51/64/41/488516441.db2.gz KKWXRDXFQHJWOQ-ZWKOTPCHSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCO[C@@H](C)C2)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000253356051 488520048 /nfs/dbraw/zinc/52/00/48/488520048.db2.gz XPQWOABVSZADLR-QYZOEREBSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCO[C@@H](C)C2)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000253356051 488520051 /nfs/dbraw/zinc/52/00/51/488520051.db2.gz XPQWOABVSZADLR-QYZOEREBSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCO[C@@H](C)C2)CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000253356051 488520054 /nfs/dbraw/zinc/52/00/54/488520054.db2.gz XPQWOABVSZADLR-QYZOEREBSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCN2CCO[C@@H](C)C2)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000253356051 488520056 /nfs/dbraw/zinc/52/00/56/488520056.db2.gz XPQWOABVSZADLR-QYZOEREBSA-N 2 2 354.539 0.434 20 0 FCADLP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000261636412 488528304 /nfs/dbraw/zinc/52/83/04/488528304.db2.gz HXDSWIWVVPNUMX-CYBMUJFWSA-N 2 2 353.492 0.803 20 0 FCADLP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000261636412 488528305 /nfs/dbraw/zinc/52/83/05/488528305.db2.gz HXDSWIWVVPNUMX-CYBMUJFWSA-N 2 2 353.492 0.803 20 0 FCADLP CCNC(=O)N1CC[NH+](C/C=C/C[NH+]2CCN(C(=O)NCC)CC2)CC1 ZINC000111195831 488528480 /nfs/dbraw/zinc/52/84/80/488528480.db2.gz NDACGVLKCFCEGA-AATRIKPKSA-N 2 2 366.510 0.237 20 0 FCADLP C[NH+]1CCN(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000111577633 488530207 /nfs/dbraw/zinc/53/02/07/488530207.db2.gz OSGXNQGNJGMNFP-KRWDZBQOSA-N 2 2 359.474 0.322 20 0 FCADLP C[NH+]1CCN(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000111577633 488530209 /nfs/dbraw/zinc/53/02/09/488530209.db2.gz OSGXNQGNJGMNFP-KRWDZBQOSA-N 2 2 359.474 0.322 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000111512132 488530336 /nfs/dbraw/zinc/53/03/36/488530336.db2.gz QVMWPQJVQAEKHB-RDJZCZTQSA-N 2 2 365.522 0.855 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000111512132 488530338 /nfs/dbraw/zinc/53/03/38/488530338.db2.gz QVMWPQJVQAEKHB-RDJZCZTQSA-N 2 2 365.522 0.855 20 0 FCADLP C[NH2+][C@@H]1CCCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261691933 488531151 /nfs/dbraw/zinc/53/11/51/488531151.db2.gz FFTFWKCJCFRUEK-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705313 488531831 /nfs/dbraw/zinc/53/18/31/488531831.db2.gz PDMOJMBVGNFVLD-NEPJUHHUSA-N 2 2 350.385 0.245 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCC(F)(F)F ZINC000261705313 488531833 /nfs/dbraw/zinc/53/18/33/488531833.db2.gz PDMOJMBVGNFVLD-NEPJUHHUSA-N 2 2 350.385 0.245 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261784909 488535694 /nfs/dbraw/zinc/53/56/94/488535694.db2.gz HRUUMJFKOLBHBM-COXVUDFISA-N 2 2 362.449 0.932 20 0 FCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261784909 488535696 /nfs/dbraw/zinc/53/56/96/488535696.db2.gz HRUUMJFKOLBHBM-COXVUDFISA-N 2 2 362.449 0.932 20 0 FCADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000114455170 488541146 /nfs/dbraw/zinc/54/11/46/488541146.db2.gz KMFZEEQJWVQLLZ-MRXNPFEDSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000114455170 488541149 /nfs/dbraw/zinc/54/11/49/488541149.db2.gz KMFZEEQJWVQLLZ-MRXNPFEDSA-N 2 2 359.536 0.875 20 0 FCADLP CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261927026 488541957 /nfs/dbraw/zinc/54/19/57/488541957.db2.gz VUYZXMZWTPWFPV-MGPQQGTHSA-N 2 2 351.451 0.857 20 0 FCADLP CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261927026 488541959 /nfs/dbraw/zinc/54/19/59/488541959.db2.gz VUYZXMZWTPWFPV-MGPQQGTHSA-N 2 2 351.451 0.857 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@H]1CCCO1 ZINC000115846951 488545754 /nfs/dbraw/zinc/54/57/54/488545754.db2.gz MLRYULMVRAFPIH-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC[C@H]1CCCO1 ZINC000115846951 488545756 /nfs/dbraw/zinc/54/57/56/488545756.db2.gz MLRYULMVRAFPIH-QGZVFWFLSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H](CNC(=O)N(CCO)CC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000119580275 488557766 /nfs/dbraw/zinc/55/77/66/488557766.db2.gz PBNBTQCHUAOIQD-KRWDZBQOSA-N 2 2 356.511 0.443 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000262243742 488559342 /nfs/dbraw/zinc/55/93/42/488559342.db2.gz PGYYNHLMBAXIDS-BBRMVZONSA-N 2 2 368.503 0.337 20 0 FCADLP C[C@H](CN1CCOCC1)[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000121043176 488564398 /nfs/dbraw/zinc/56/43/98/488564398.db2.gz AIDJGGVDBQXYMN-LJQANCHMSA-N 2 2 374.529 0.983 20 0 FCADLP C[C@H](CN1CCOCC1)[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000121043176 488564399 /nfs/dbraw/zinc/56/43/99/488564399.db2.gz AIDJGGVDBQXYMN-LJQANCHMSA-N 2 2 374.529 0.983 20 0 FCADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)CC2)oc1C ZINC000262353080 488565399 /nfs/dbraw/zinc/56/53/99/488565399.db2.gz UNVZPBHNPKQNPI-PBHICJAKSA-N 2 2 350.463 0.997 20 0 FCADLP C[NH2+][C@H](C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cnn(C)c1 ZINC000262459830 488571423 /nfs/dbraw/zinc/57/14/23/488571423.db2.gz WXXQVOVAJUWEPF-KRWDZBQOSA-N 2 2 357.462 0.873 20 0 FCADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000122237339 488576888 /nfs/dbraw/zinc/57/68/88/488576888.db2.gz XZKFHWSCIJSRIA-RTBURBONSA-N 2 2 373.545 0.949 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262564879 488578021 /nfs/dbraw/zinc/57/80/21/488578021.db2.gz RLIOWJXQUMKLOU-UHFFFAOYSA-N 2 2 364.471 0.628 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000569966895 491207152 /nfs/dbraw/zinc/20/71/52/491207152.db2.gz JNMUAEFQDXTMQD-MRXNPFEDSA-N 2 2 363.462 0.194 20 0 FCADLP C[C@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657008 488585155 /nfs/dbraw/zinc/58/51/55/488585155.db2.gz DFIIBTCWSJWKQK-PMPSAXMXSA-N 2 2 350.507 0.824 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc2)CC1 ZINC000124395574 488592274 /nfs/dbraw/zinc/59/22/74/488592274.db2.gz YFZDYFYYRXVYJU-MOPGFXCFSA-N 2 2 358.486 0.984 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc2)CC1 ZINC000124395574 488592277 /nfs/dbraw/zinc/59/22/77/488592277.db2.gz YFZDYFYYRXVYJU-MOPGFXCFSA-N 2 2 358.486 0.984 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000563056265 491210855 /nfs/dbraw/zinc/21/08/55/491210855.db2.gz GDOIGRSQTHQVJJ-ZWKOTPCHSA-N 2 2 374.485 0.434 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2)CC1 ZINC000124478081 488593412 /nfs/dbraw/zinc/59/34/12/488593412.db2.gz RTWBTKPUVVDVHB-OALUTQOASA-N 2 2 358.486 0.589 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2)CC1 ZINC000124478081 488593415 /nfs/dbraw/zinc/59/34/15/488593415.db2.gz RTWBTKPUVVDVHB-OALUTQOASA-N 2 2 358.486 0.589 20 0 FCADLP C[C@]1(O)CCC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000124847512 488596215 /nfs/dbraw/zinc/59/62/15/488596215.db2.gz APQPVQBTMPQUTE-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@]1(O)CCC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000124847512 488596216 /nfs/dbraw/zinc/59/62/16/488596216.db2.gz APQPVQBTMPQUTE-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1=CC[N@H+](C)CC1 ZINC000272728186 488600949 /nfs/dbraw/zinc/60/09/49/488600949.db2.gz OPUKHRFNWZVKSI-OAHLLOKOSA-N 2 2 362.478 0.987 20 0 FCADLP C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000272728186 488600951 /nfs/dbraw/zinc/60/09/51/488600951.db2.gz OPUKHRFNWZVKSI-OAHLLOKOSA-N 2 2 362.478 0.987 20 0 FCADLP C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000126339685 488608635 /nfs/dbraw/zinc/60/86/35/488608635.db2.gz BRVWVXNRJJEHAY-IZHWHUGBSA-N 2 2 352.504 0.819 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263297864 488609385 /nfs/dbraw/zinc/60/93/85/488609385.db2.gz WQLPCATXNRBFRR-GPMSIDNRSA-N 2 2 366.506 0.286 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c[nH+]1 ZINC000128736031 488626368 /nfs/dbraw/zinc/62/63/68/488626368.db2.gz RPZYSBXAHJQDFC-INIZCTEOSA-N 2 2 361.490 0.954 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000131333639 488645071 /nfs/dbraw/zinc/64/50/71/488645071.db2.gz XONHDWFIJZTLFO-UHFFFAOYSA-N 2 2 355.527 0.816 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131333639 488645074 /nfs/dbraw/zinc/64/50/74/488645074.db2.gz XONHDWFIJZTLFO-UHFFFAOYSA-N 2 2 355.527 0.816 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000131411507 488645508 /nfs/dbraw/zinc/64/55/08/488645508.db2.gz NUUIBGAOURKEQI-UHFFFAOYSA-N 2 2 362.499 0.948 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000131417724 488646295 /nfs/dbraw/zinc/64/62/95/488646295.db2.gz ADXLSZYQIBJIBT-HXUWFJFHSA-N 2 2 374.529 0.963 20 0 FCADLP C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[NH+]1CCSCC1 ZINC000132971547 488656512 /nfs/dbraw/zinc/65/65/12/488656512.db2.gz FDMFSJRSDRHDPH-OAHLLOKOSA-N 2 2 363.531 0.887 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000133088335 488657368 /nfs/dbraw/zinc/65/73/68/488657368.db2.gz ISPUYLZEXSJCAL-CQSZACIVSA-N 2 2 356.536 0.531 20 0 FCADLP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000264247211 488658124 /nfs/dbraw/zinc/65/81/24/488658124.db2.gz FCXYBPNNIFEPPI-UHFFFAOYSA-N 2 2 352.435 0.846 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000134740732 488668833 /nfs/dbraw/zinc/66/88/33/488668833.db2.gz JQRZDJLFMFWFGW-DLBZAZTESA-N 2 2 354.495 0.386 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000570107496 491216928 /nfs/dbraw/zinc/21/69/28/491216928.db2.gz MIDMFNHYJOZTJN-QZTJIDSGSA-N 2 2 356.470 0.730 20 0 FCADLP Cc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000570107496 491216929 /nfs/dbraw/zinc/21/69/29/491216929.db2.gz MIDMFNHYJOZTJN-QZTJIDSGSA-N 2 2 356.470 0.730 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000139185647 488684222 /nfs/dbraw/zinc/68/42/22/488684222.db2.gz QOKZXZMSCJKRGD-KRWDZBQOSA-N 2 2 360.506 0.858 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000139185647 488684224 /nfs/dbraw/zinc/68/42/24/488684224.db2.gz QOKZXZMSCJKRGD-KRWDZBQOSA-N 2 2 360.506 0.858 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CO)c3cnn(C)c3)CC2)c1 ZINC000274130429 488685270 /nfs/dbraw/zinc/68/52/70/488685270.db2.gz WCIWOFUEQZTBET-LJQANCHMSA-N 2 2 371.485 0.696 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264569275 488686117 /nfs/dbraw/zinc/68/61/17/488686117.db2.gz HFLDDFFLVFSDMO-QGZVFWFLSA-N 2 2 372.473 0.984 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000264569275 488686120 /nfs/dbraw/zinc/68/61/20/488686120.db2.gz HFLDDFFLVFSDMO-QGZVFWFLSA-N 2 2 372.473 0.984 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000150858931 488700860 /nfs/dbraw/zinc/70/08/60/488700860.db2.gz IHUURGFCOLAOFL-KRWDZBQOSA-N 2 2 374.485 0.982 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000150858931 488700864 /nfs/dbraw/zinc/70/08/64/488700864.db2.gz IHUURGFCOLAOFL-KRWDZBQOSA-N 2 2 374.485 0.982 20 0 FCADLP COCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000264735151 488704942 /nfs/dbraw/zinc/70/49/42/488704942.db2.gz FSRHGMKYCQSQMQ-LJQANCHMSA-N 2 2 360.502 0.766 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000563094839 491214916 /nfs/dbraw/zinc/21/49/16/491214916.db2.gz DRMCRSRELRXODN-JYJNAYRXSA-N 2 2 353.442 0.169 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000563094839 491214919 /nfs/dbraw/zinc/21/49/19/491214919.db2.gz DRMCRSRELRXODN-JYJNAYRXSA-N 2 2 353.442 0.169 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616836 488723588 /nfs/dbraw/zinc/72/35/88/488723588.db2.gz QENDKQAOABQOPC-ROUUACIJSA-N 2 2 373.501 0.941 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1 ZINC000274616836 488723589 /nfs/dbraw/zinc/72/35/89/488723589.db2.gz QENDKQAOABQOPC-ROUUACIJSA-N 2 2 373.501 0.941 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266143520 488723883 /nfs/dbraw/zinc/72/38/83/488723883.db2.gz RIYSEBUNVUDVPM-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153053366 488726580 /nfs/dbraw/zinc/72/65/80/488726580.db2.gz NLZBXQLLUXAEPM-INIZCTEOSA-N 2 2 360.506 0.986 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000570087604 491215313 /nfs/dbraw/zinc/21/53/13/491215313.db2.gz RXVVSAVSUSAKAG-RYRKJORJSA-N 2 2 368.522 0.258 20 0 FCADLP CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000274701881 488728366 /nfs/dbraw/zinc/72/83/66/488728366.db2.gz YJARQMFKLJNUOJ-HNNXBMFYSA-N 2 2 365.478 0.420 20 0 FCADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000274701881 488728368 /nfs/dbraw/zinc/72/83/68/488728368.db2.gz YJARQMFKLJNUOJ-HNNXBMFYSA-N 2 2 365.478 0.420 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153601663 488732986 /nfs/dbraw/zinc/73/29/86/488732986.db2.gz FWAMWGJMIIGORX-SJLPKXTDSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153601663 488732987 /nfs/dbraw/zinc/73/29/87/488732987.db2.gz FWAMWGJMIIGORX-SJLPKXTDSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601663 488732989 /nfs/dbraw/zinc/73/29/89/488732989.db2.gz FWAMWGJMIIGORX-SJLPKXTDSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601663 488732991 /nfs/dbraw/zinc/73/29/91/488732991.db2.gz FWAMWGJMIIGORX-SJLPKXTDSA-N 2 2 373.501 0.852 20 0 FCADLP CS[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1[NH+](C)C ZINC000274885436 488740418 /nfs/dbraw/zinc/74/04/18/488740418.db2.gz IINLHZQGAUUHKW-CHWSQXEVSA-N 2 2 350.492 0.237 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000266944681 488746740 /nfs/dbraw/zinc/74/67/40/488746740.db2.gz SCSKFMOWRFBVRM-INIZCTEOSA-N 2 2 374.441 0.769 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000154765075 488747004 /nfs/dbraw/zinc/74/70/04/488747004.db2.gz AQNSVVYZZNXQGU-JKSUJKDBSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[NH+]1CCOCC1 ZINC000154765075 488747006 /nfs/dbraw/zinc/74/70/06/488747006.db2.gz AQNSVVYZZNXQGU-JKSUJKDBSA-N 2 2 356.511 0.584 20 0 FCADLP C[NH+](C)C(C)(C)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000155002646 488749982 /nfs/dbraw/zinc/74/99/82/488749982.db2.gz GRHDWAKNOFITAZ-UHFFFAOYSA-N 2 2 361.490 0.967 20 0 FCADLP Cc1[nH+]cn(CC(=O)N2CCN(C(=O)Cn3c[nH+]c(C)c3C)CC2)c1C ZINC000155855493 488759364 /nfs/dbraw/zinc/75/93/64/488759364.db2.gz UEADGFPTSYGLTC-UHFFFAOYSA-N 2 2 358.446 0.684 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000155828622 488759614 /nfs/dbraw/zinc/75/96/14/488759614.db2.gz PHWZEJBTMCIAJZ-ZACQAIPSSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000155828622 488759616 /nfs/dbraw/zinc/75/96/16/488759616.db2.gz PHWZEJBTMCIAJZ-ZACQAIPSSA-N 2 2 356.511 0.753 20 0 FCADLP COCCCS(=O)(=O)NCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000267087834 488760244 /nfs/dbraw/zinc/76/02/44/488760244.db2.gz ZZKRNIUZQOBFOR-UHFFFAOYSA-N 2 2 372.491 0.168 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000156477726 488765153 /nfs/dbraw/zinc/76/51/53/488765153.db2.gz TYYZLNREKIPQJK-GOSISDBHSA-N 2 2 369.554 0.672 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000156477726 488765157 /nfs/dbraw/zinc/76/51/57/488765157.db2.gz TYYZLNREKIPQJK-GOSISDBHSA-N 2 2 369.554 0.672 20 0 FCADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156490793 488765760 /nfs/dbraw/zinc/76/57/60/488765760.db2.gz SHMYPCPWYAFEJG-AVGNSLFASA-N 2 2 374.445 0.017 20 0 FCADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156490793 488765761 /nfs/dbraw/zinc/76/57/61/488765761.db2.gz SHMYPCPWYAFEJG-AVGNSLFASA-N 2 2 374.445 0.017 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000156773531 488766942 /nfs/dbraw/zinc/76/69/42/488766942.db2.gz FGCSLARIKMEEEJ-SJORKVTESA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000156773531 488766943 /nfs/dbraw/zinc/76/69/43/488766943.db2.gz FGCSLARIKMEEEJ-SJORKVTESA-N 2 2 374.489 0.058 20 0 FCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000157661068 488773209 /nfs/dbraw/zinc/77/32/09/488773209.db2.gz WMZCZJWBCQLTDA-OAHLLOKOSA-N 2 2 355.508 0.863 20 0 FCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000157661068 488773210 /nfs/dbraw/zinc/77/32/10/488773210.db2.gz WMZCZJWBCQLTDA-OAHLLOKOSA-N 2 2 355.508 0.863 20 0 FCADLP Cc1cc(N2CCC(NC(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000267288921 488774990 /nfs/dbraw/zinc/77/49/90/488774990.db2.gz BIYLCUXXOSFONK-HNNXBMFYSA-N 2 2 360.506 0.814 20 0 FCADLP CN1CCO[C@H]2CN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@@H]21 ZINC000158870322 488780925 /nfs/dbraw/zinc/78/09/25/488780925.db2.gz JTOAREQMZKEOFC-ROUUACIJSA-N 2 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)CC2)CC1 ZINC000158870322 488780927 /nfs/dbraw/zinc/78/09/27/488780927.db2.gz JTOAREQMZKEOFC-ROUUACIJSA-N 3 2 365.522 0.269 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)CC2)CC1 ZINC000158870322 488780929 /nfs/dbraw/zinc/78/09/29/488780929.db2.gz JTOAREQMZKEOFC-ROUUACIJSA-N 3 2 365.522 0.269 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCN(c4ncccn4)CC3)cn2)CC1 ZINC000158823109 488781207 /nfs/dbraw/zinc/78/12/07/488781207.db2.gz SMXJKLHSTFPJBI-UHFFFAOYSA-N 2 2 354.462 0.341 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000158972547 488781762 /nfs/dbraw/zinc/78/17/62/488781762.db2.gz MIDJXTCMGAVQDE-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)N1CCCCC1 ZINC000158972547 488781765 /nfs/dbraw/zinc/78/17/65/488781765.db2.gz MIDJXTCMGAVQDE-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)N1CCCCC1 ZINC000158972547 488781767 /nfs/dbraw/zinc/78/17/67/488781767.db2.gz MIDJXTCMGAVQDE-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)N1CCCCC1 ZINC000158972547 488781770 /nfs/dbraw/zinc/78/17/70/488781770.db2.gz MIDJXTCMGAVQDE-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(C)(CO)CO ZINC000158973149 488781831 /nfs/dbraw/zinc/78/18/31/488781831.db2.gz WGFLTPJEMRBFJG-UHFFFAOYSA-N 2 2 350.463 0.043 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(C)(CO)CO ZINC000158973149 488781832 /nfs/dbraw/zinc/78/18/32/488781832.db2.gz WGFLTPJEMRBFJG-UHFFFAOYSA-N 2 2 350.463 0.043 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162443135 488802522 /nfs/dbraw/zinc/80/25/22/488802522.db2.gz KGTPESYBNDSVNL-ROUUACIJSA-N 2 2 361.486 0.973 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162443135 488802524 /nfs/dbraw/zinc/80/25/24/488802524.db2.gz KGTPESYBNDSVNL-ROUUACIJSA-N 2 2 361.486 0.973 20 0 FCADLP C[C@@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000163760722 488809178 /nfs/dbraw/zinc/80/91/78/488809178.db2.gz DIYAFOGZUCWGHB-DLBZAZTESA-N 2 2 350.507 0.779 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000166134511 488811423 /nfs/dbraw/zinc/81/14/23/488811423.db2.gz WBMBXGXBQHGRBX-CYBMUJFWSA-N 2 2 352.460 0.171 20 0 FCADLP [NH3+][C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)[C@@H]2CC[C@H]1C2 ZINC000168288221 488812352 /nfs/dbraw/zinc/81/23/52/488812352.db2.gz BHELIRIAXSRRKZ-DSJDWBEOSA-N 2 2 373.497 0.944 20 0 FCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168176567 488812505 /nfs/dbraw/zinc/81/25/05/488812505.db2.gz VFBHICKNKIOECH-CABCVRRESA-N 2 2 353.488 0.958 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000168555475 488812903 /nfs/dbraw/zinc/81/29/03/488812903.db2.gz HRUONWKSNNDVQU-KRWDZBQOSA-N 2 2 365.499 0.326 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)[NH+]1CCOCC1 ZINC000170731354 488815745 /nfs/dbraw/zinc/81/57/45/488815745.db2.gz QZRSCMQMLHJXIK-HNNXBMFYSA-N 2 2 354.495 0.191 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1)[NH+]1CCOCC1 ZINC000170731354 488815746 /nfs/dbraw/zinc/81/57/46/488815746.db2.gz QZRSCMQMLHJXIK-HNNXBMFYSA-N 2 2 354.495 0.191 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCOCC1 ZINC000171098921 488819485 /nfs/dbraw/zinc/81/94/85/488819485.db2.gz GZCNQVULQKYJBT-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCOCC1 ZINC000171098921 488819487 /nfs/dbraw/zinc/81/94/87/488819487.db2.gz GZCNQVULQKYJBT-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642527 488825120 /nfs/dbraw/zinc/82/51/20/488825120.db2.gz ZOXLSNDFBXEAGM-HUUCEWRRSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642527 488825122 /nfs/dbraw/zinc/82/51/22/488825122.db2.gz ZOXLSNDFBXEAGM-HUUCEWRRSA-N 2 2 359.474 0.928 20 0 FCADLP CC(=O)Nc1nc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cs1 ZINC000171658478 488825561 /nfs/dbraw/zinc/82/55/61/488825561.db2.gz YDRXPBHPMQDKAJ-UHFFFAOYSA-N 2 2 353.492 0.991 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171903021 488828392 /nfs/dbraw/zinc/82/83/92/488828392.db2.gz TXSUOUGWBCYTCV-INIZCTEOSA-N 2 2 359.478 0.088 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172301904 488832188 /nfs/dbraw/zinc/83/21/88/488832188.db2.gz XBJUHCSBMREFTE-SJORKVTESA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172301904 488832189 /nfs/dbraw/zinc/83/21/89/488832189.db2.gz XBJUHCSBMREFTE-SJORKVTESA-N 2 2 362.474 0.592 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000172815225 488838551 /nfs/dbraw/zinc/83/85/51/488838551.db2.gz BODTVSDOSJZVQX-FUHWJXTLSA-N 2 2 373.501 0.697 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000173618606 488844081 /nfs/dbraw/zinc/84/40/81/488844081.db2.gz GOVIXDDRDVGWHA-GDBMZVCRSA-N 2 2 359.536 0.873 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173657649 488844210 /nfs/dbraw/zinc/84/42/10/488844210.db2.gz FGKYHUOMQQPFKF-DLBZAZTESA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173864051 488846073 /nfs/dbraw/zinc/84/60/73/488846073.db2.gz LQGIBLRBDHSLNA-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174452595 488849368 /nfs/dbraw/zinc/84/93/68/488849368.db2.gz WLIBBNDBFPVJFB-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000174452595 488849369 /nfs/dbraw/zinc/84/93/69/488849369.db2.gz WLIBBNDBFPVJFB-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174642241 488850461 /nfs/dbraw/zinc/85/04/61/488850461.db2.gz AJBHATYKNOXEJC-QGZVFWFLSA-N 2 2 360.502 0.885 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737466 488850844 /nfs/dbraw/zinc/85/08/44/488850844.db2.gz YJDWMOMTKNULFZ-SJORKVTESA-N 2 2 360.458 0.796 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737466 488850843 /nfs/dbraw/zinc/85/08/43/488850843.db2.gz YJDWMOMTKNULFZ-SJORKVTESA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737466 488850845 /nfs/dbraw/zinc/85/08/45/488850845.db2.gz YJDWMOMTKNULFZ-SJORKVTESA-N 2 2 360.458 0.796 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000174737466 488850846 /nfs/dbraw/zinc/85/08/46/488850846.db2.gz YJDWMOMTKNULFZ-SJORKVTESA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000570200310 491224540 /nfs/dbraw/zinc/22/45/40/491224540.db2.gz YOLUOPOYSDEWIT-QAPCUYQASA-N 2 2 367.515 0.936 20 0 FCADLP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000175737733 488855314 /nfs/dbraw/zinc/85/53/14/488855314.db2.gz VFGKBLQDMKFMBK-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000175737733 488855315 /nfs/dbraw/zinc/85/53/15/488855315.db2.gz VFGKBLQDMKFMBK-HZPDHXFCSA-N 3 2 355.527 0.421 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000175807843 488856039 /nfs/dbraw/zinc/85/60/39/488856039.db2.gz VOVZQSNBHDPQKN-SFHVURJKSA-N 2 2 369.554 0.624 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000175807843 488856040 /nfs/dbraw/zinc/85/60/40/488856040.db2.gz VOVZQSNBHDPQKN-SFHVURJKSA-N 2 2 369.554 0.624 20 0 FCADLP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648643 488860373 /nfs/dbraw/zinc/86/03/73/488860373.db2.gz KWMOMEWKCNFPHE-NSHDSACASA-N 2 2 352.401 0.443 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C2 ZINC000364575999 488974175 /nfs/dbraw/zinc/97/41/75/488974175.db2.gz ZWDGIWDQLYWIBK-LIRRHRJNSA-N 2 2 364.490 0.837 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)CC2 ZINC000364575999 488974178 /nfs/dbraw/zinc/97/41/78/488974178.db2.gz ZWDGIWDQLYWIBK-LIRRHRJNSA-N 2 2 364.490 0.837 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000288558561 488991797 /nfs/dbraw/zinc/99/17/97/488991797.db2.gz GNSIVYYXXAVBJA-HNNXBMFYSA-N 2 2 359.430 0.259 20 0 FCADLP O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329457098 489006192 /nfs/dbraw/zinc/00/61/92/489006192.db2.gz QMTIOQWKYYXPPA-CQSZACIVSA-N 2 2 372.429 0.197 20 0 FCADLP O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329457098 489006194 /nfs/dbraw/zinc/00/61/94/489006194.db2.gz QMTIOQWKYYXPPA-CQSZACIVSA-N 2 2 372.429 0.197 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@]1(F)CC[NH2+]C1 ZINC000364866064 489011305 /nfs/dbraw/zinc/01/13/05/489011305.db2.gz MVMBNZQFALMNHO-SFHVURJKSA-N 2 2 351.422 0.715 20 0 FCADLP CN(C)[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000280775961 489030184 /nfs/dbraw/zinc/03/01/84/489030184.db2.gz MYBXFJOSTKBDIB-KRWDZBQOSA-N 2 2 371.489 0.486 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000280875657 489037901 /nfs/dbraw/zinc/03/79/01/489037901.db2.gz OPDZWBDVCFZBJF-ACJLOTCBSA-N 2 2 355.446 0.402 20 0 FCADLP CN(C(=O)CCN1C(=O)CCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365220638 489050487 /nfs/dbraw/zinc/05/04/87/489050487.db2.gz DZVHAOBBCCMYLS-HNNXBMFYSA-N 2 2 350.463 0.152 20 0 FCADLP CN(C(=O)CCN1C(=O)CCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365220638 489050490 /nfs/dbraw/zinc/05/04/90/489050490.db2.gz DZVHAOBBCCMYLS-HNNXBMFYSA-N 2 2 350.463 0.152 20 0 FCADLP O=C(Cc1noc(-c2ccc3c[nH+]cn3c2)n1)NCC[NH+]1CCOCC1 ZINC000289248201 489052374 /nfs/dbraw/zinc/05/23/74/489052374.db2.gz VNOGKBDFFZEZQY-UHFFFAOYSA-N 2 2 356.386 0.375 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329975031 489056515 /nfs/dbraw/zinc/05/65/15/489056515.db2.gz ZKUNSNCLDOOBFU-ILXRZTDVSA-N 2 2 358.483 0.699 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329975031 489056516 /nfs/dbraw/zinc/05/65/16/489056516.db2.gz ZKUNSNCLDOOBFU-ILXRZTDVSA-N 2 2 358.483 0.699 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H](C)O1 ZINC000289308699 489057496 /nfs/dbraw/zinc/05/74/96/489057496.db2.gz WIOITIPBGYROHK-HUUCEWRRSA-N 2 2 373.457 0.566 20 0 FCADLP O=C(CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000365354704 489066983 /nfs/dbraw/zinc/06/69/83/489066983.db2.gz IHJZRRMIAFWOIF-IAGOWNOFSA-N 2 2 371.485 0.721 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000281330235 489067757 /nfs/dbraw/zinc/06/77/57/489067757.db2.gz CLDUCDJQFVERJT-QRVBRYPASA-N 2 2 374.485 0.612 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000281330235 489067760 /nfs/dbraw/zinc/06/77/60/489067760.db2.gz CLDUCDJQFVERJT-QRVBRYPASA-N 2 2 374.485 0.612 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000281330235 489067763 /nfs/dbraw/zinc/06/77/63/489067763.db2.gz CLDUCDJQFVERJT-QRVBRYPASA-N 2 2 374.485 0.612 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000281330235 489067768 /nfs/dbraw/zinc/06/77/68/489067768.db2.gz CLDUCDJQFVERJT-QRVBRYPASA-N 2 2 374.485 0.612 20 0 FCADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205854 489080126 /nfs/dbraw/zinc/08/01/26/489080126.db2.gz DTAXWHLZIYWIQN-IAGOWNOFSA-N 2 2 359.536 0.984 20 0 FCADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1COC1 ZINC000330205854 489080129 /nfs/dbraw/zinc/08/01/29/489080129.db2.gz DTAXWHLZIYWIQN-IAGOWNOFSA-N 2 2 359.536 0.984 20 0 FCADLP O=C(Cn1cnnn1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000289773540 489091920 /nfs/dbraw/zinc/09/19/20/489091920.db2.gz KSCQILGDXLIWQN-UHFFFAOYSA-N 2 2 352.402 0.203 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000289831406 489096437 /nfs/dbraw/zinc/09/64/37/489096437.db2.gz JSXQLPHFKKBPAC-ZIAGYGMSSA-N 2 2 369.487 0.827 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000290128884 489116572 /nfs/dbraw/zinc/11/65/72/489116572.db2.gz LQUMMNSDWJLDGF-WDSOQIARSA-N 2 2 361.486 0.959 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000570322280 491234121 /nfs/dbraw/zinc/23/41/21/491234121.db2.gz GODRKNAORQTPCB-HZPDHXFCSA-N 2 2 351.447 0.048 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000570322280 491234123 /nfs/dbraw/zinc/23/41/23/491234123.db2.gz GODRKNAORQTPCB-HZPDHXFCSA-N 2 2 351.447 0.048 20 0 FCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000563267927 491234184 /nfs/dbraw/zinc/23/41/84/491234184.db2.gz DSBCZGVWKOHEIW-CTNGQTDRSA-N 2 2 374.529 0.766 20 0 FCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000563267929 491234247 /nfs/dbraw/zinc/23/42/47/491234247.db2.gz DSBCZGVWKOHEIW-PZJWPPBQSA-N 2 2 374.529 0.766 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445467 489141171 /nfs/dbraw/zinc/14/11/71/489141171.db2.gz KTVZMFSFIOPRRM-HOTGVXAUSA-N 2 2 359.474 0.577 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445467 489141174 /nfs/dbraw/zinc/14/11/74/489141174.db2.gz KTVZMFSFIOPRRM-HOTGVXAUSA-N 2 2 359.474 0.577 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445474 489141263 /nfs/dbraw/zinc/14/12/63/489141263.db2.gz KTVZMFSFIOPRRM-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290445474 489141267 /nfs/dbraw/zinc/14/12/67/489141267.db2.gz KTVZMFSFIOPRRM-HZPDHXFCSA-N 2 2 359.474 0.577 20 0 FCADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000290459081 489141842 /nfs/dbraw/zinc/14/18/42/489141842.db2.gz TZMBOXGASHQIEL-DLBZAZTESA-N 2 2 353.488 0.410 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183428 489155610 /nfs/dbraw/zinc/15/56/10/489155610.db2.gz HTSRDBJUYWWGIH-IAGOWNOFSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000366183428 489155614 /nfs/dbraw/zinc/15/56/14/489155614.db2.gz HTSRDBJUYWWGIH-IAGOWNOFSA-N 2 2 354.495 0.506 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290649441 489155701 /nfs/dbraw/zinc/15/57/01/489155701.db2.gz UBOZLXLUYUFNBQ-OAHLLOKOSA-N 2 2 356.430 0.522 20 0 FCADLP CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000290744405 489162244 /nfs/dbraw/zinc/16/22/44/489162244.db2.gz XSFOLRBQTNBZHI-LJQANCHMSA-N 2 2 362.518 0.887 20 0 FCADLP CN(C)CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000290744405 489162246 /nfs/dbraw/zinc/16/22/46/489162246.db2.gz XSFOLRBQTNBZHI-LJQANCHMSA-N 2 2 362.518 0.887 20 0 FCADLP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000290744405 489162249 /nfs/dbraw/zinc/16/22/49/489162249.db2.gz XSFOLRBQTNBZHI-LJQANCHMSA-N 2 2 362.518 0.887 20 0 FCADLP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000290744405 489162252 /nfs/dbraw/zinc/16/22/52/489162252.db2.gz XSFOLRBQTNBZHI-LJQANCHMSA-N 2 2 362.518 0.887 20 0 FCADLP CN(CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)CC[NH+](C)C ZINC000290744405 489162255 /nfs/dbraw/zinc/16/22/55/489162255.db2.gz XSFOLRBQTNBZHI-LJQANCHMSA-N 2 2 362.518 0.887 20 0 FCADLP CN(CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)CC[NH+](C)C ZINC000290744405 489162258 /nfs/dbraw/zinc/16/22/58/489162258.db2.gz XSFOLRBQTNBZHI-LJQANCHMSA-N 2 2 362.518 0.887 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290740534 489162492 /nfs/dbraw/zinc/16/24/92/489162492.db2.gz YTSLTXUVWZRHSS-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP CC(C)[C@](C)(O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331019705 489166446 /nfs/dbraw/zinc/16/64/46/489166446.db2.gz JFVXLHICIBITDB-IBGZPJMESA-N 2 2 368.522 0.090 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373082 489175477 /nfs/dbraw/zinc/17/54/77/489175477.db2.gz MFZYAYBVOBJEEM-RBUKOAKNSA-N 2 2 364.534 0.868 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373082 489175478 /nfs/dbraw/zinc/17/54/78/489175478.db2.gz MFZYAYBVOBJEEM-RBUKOAKNSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000366373082 489175480 /nfs/dbraw/zinc/17/54/80/489175480.db2.gz MFZYAYBVOBJEEM-RBUKOAKNSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)C1 ZINC000366373082 489175481 /nfs/dbraw/zinc/17/54/81/489175481.db2.gz MFZYAYBVOBJEEM-RBUKOAKNSA-N 2 2 364.534 0.868 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000331183397 489182970 /nfs/dbraw/zinc/18/29/70/489182970.db2.gz HXBGIOOBJDRRFU-CABCVRRESA-N 2 2 355.504 0.824 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000331183397 489182973 /nfs/dbraw/zinc/18/29/73/489182973.db2.gz HXBGIOOBJDRRFU-CABCVRRESA-N 2 2 355.504 0.824 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000563357508 491239206 /nfs/dbraw/zinc/23/92/06/491239206.db2.gz WFJXTPLGOVNSQS-MRXNPFEDSA-N 2 2 369.473 0.738 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000563357508 491239209 /nfs/dbraw/zinc/23/92/09/491239209.db2.gz WFJXTPLGOVNSQS-MRXNPFEDSA-N 2 2 369.473 0.738 20 0 FCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000570407468 491238782 /nfs/dbraw/zinc/23/87/82/491238782.db2.gz CFWGQMWFBDLBLO-UHFFFAOYSA-N 2 2 352.479 0.676 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000283063885 489211559 /nfs/dbraw/zinc/21/15/59/489211559.db2.gz BEMZKSZWIKOYEV-HUUCEWRRSA-N 2 2 351.451 0.005 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000297627422 489215993 /nfs/dbraw/zinc/21/59/93/489215993.db2.gz ITIKPIBKOKXTAX-UHFFFAOYSA-N 2 2 358.486 0.883 20 0 FCADLP CC(C)[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000563374704 491239993 /nfs/dbraw/zinc/23/99/93/491239993.db2.gz VNCFWEKRMGEMJH-FRFSOERESA-N 2 2 362.478 0.721 20 0 FCADLP CC(C)[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000563374704 491239996 /nfs/dbraw/zinc/23/99/96/491239996.db2.gz VNCFWEKRMGEMJH-FRFSOERESA-N 2 2 362.478 0.721 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1C ZINC000332563627 489220488 /nfs/dbraw/zinc/22/04/88/489220488.db2.gz WDZIPXMAUAUIGO-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C[C@H]1C ZINC000332563627 489220493 /nfs/dbraw/zinc/22/04/93/489220493.db2.gz WDZIPXMAUAUIGO-HZPDHXFCSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297686823 489224025 /nfs/dbraw/zinc/22/40/25/489224025.db2.gz AZGQFPCCMQZTFI-MRXNPFEDSA-N 2 2 359.474 0.530 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297686823 489224026 /nfs/dbraw/zinc/22/40/26/489224026.db2.gz AZGQFPCCMQZTFI-MRXNPFEDSA-N 2 2 359.474 0.530 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283275174 489237557 /nfs/dbraw/zinc/23/75/57/489237557.db2.gz BAEDJSZOVQUYSX-MRXNPFEDSA-N 2 2 357.458 0.936 20 0 FCADLP C[C@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1 ZINC000332853802 489239008 /nfs/dbraw/zinc/23/90/08/489239008.db2.gz CNFXXFJXBQRNTC-HOTGVXAUSA-N 2 2 350.507 0.968 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000369464688 489240971 /nfs/dbraw/zinc/24/09/71/489240971.db2.gz RQPBMRJDEOTENH-BHYGNILZSA-N 2 2 354.495 0.648 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000369464688 489240974 /nfs/dbraw/zinc/24/09/74/489240974.db2.gz RQPBMRJDEOTENH-BHYGNILZSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000332894516 489243947 /nfs/dbraw/zinc/24/39/47/489243947.db2.gz WCHPAIVWHYBWSL-FUHWJXTLSA-N 2 2 360.506 0.716 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000332894516 489243949 /nfs/dbraw/zinc/24/39/49/489243949.db2.gz WCHPAIVWHYBWSL-FUHWJXTLSA-N 2 2 360.506 0.716 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000297809045 489244334 /nfs/dbraw/zinc/24/43/34/489244334.db2.gz IJEXMFUGSNGHRK-UHFFFAOYSA-N 2 2 357.414 0.675 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000297819775 489246288 /nfs/dbraw/zinc/24/62/88/489246288.db2.gz SPUGADRCAPMHSK-CQSZACIVSA-N 2 2 361.490 0.981 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCN1C ZINC000332951920 489250052 /nfs/dbraw/zinc/25/00/52/489250052.db2.gz CFDVPIGIJVOSKY-YOEHRIQHSA-N 2 2 366.535 0.856 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1)C[NH+]1CCOCC1 ZINC000332997991 489255517 /nfs/dbraw/zinc/25/55/17/489255517.db2.gz FNCPVGPBNQTGLA-VYDXJSESSA-N 2 2 365.478 0.908 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000563406436 491242464 /nfs/dbraw/zinc/24/24/64/491242464.db2.gz JLRDQQHYJXUIDR-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000563406436 491242466 /nfs/dbraw/zinc/24/24/66/491242466.db2.gz JLRDQQHYJXUIDR-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000283483164 489264751 /nfs/dbraw/zinc/26/47/51/489264751.db2.gz GIHVVEGUYNXCHK-UHFFFAOYSA-N 2 2 355.442 0.817 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000369700107 489266602 /nfs/dbraw/zinc/26/66/02/489266602.db2.gz MGVZDLQSOMHKMY-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000283511791 489268550 /nfs/dbraw/zinc/26/85/50/489268550.db2.gz IFOMEILBWFRFOX-JKSUJKDBSA-N 2 2 363.462 0.131 20 0 FCADLP COCCOC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790940 489275830 /nfs/dbraw/zinc/27/58/30/489275830.db2.gz PCJKFXOXQKFJJF-IAGOWNOFSA-N 2 2 368.522 0.849 20 0 FCADLP COCCOC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369790940 489275832 /nfs/dbraw/zinc/27/58/32/489275832.db2.gz PCJKFXOXQKFJJF-IAGOWNOFSA-N 2 2 368.522 0.849 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369789700 489275968 /nfs/dbraw/zinc/27/59/68/489275968.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369789700 489275969 /nfs/dbraw/zinc/27/59/69/489275969.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369789700 489275970 /nfs/dbraw/zinc/27/59/70/489275970.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP COCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369789700 489275971 /nfs/dbraw/zinc/27/59/71/489275971.db2.gz IVQAUZZCGKQDAM-MRXNPFEDSA-N 3 2 355.527 0.422 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000563438948 491245783 /nfs/dbraw/zinc/24/57/83/491245783.db2.gz FGITYNSAUXFXTO-IUIKQTSFSA-N 2 2 359.430 0.216 20 0 FCADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000563438948 491245785 /nfs/dbraw/zinc/24/57/85/491245785.db2.gz FGITYNSAUXFXTO-IUIKQTSFSA-N 2 2 359.430 0.216 20 0 FCADLP C[NH+](C)CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000298105564 489291801 /nfs/dbraw/zinc/29/18/01/489291801.db2.gz UALKCSWDIMDTLK-HNNXBMFYSA-N 2 2 364.471 0.454 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000370067029 489312305 /nfs/dbraw/zinc/31/23/05/489312305.db2.gz WGOXNKKMDNGFNC-UHFFFAOYSA-N 2 2 362.478 0.775 20 0 FCADLP CCOC1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)([NH+]2CCOCC2)C1 ZINC000370118402 489317375 /nfs/dbraw/zinc/31/73/75/489317375.db2.gz BSXDPTAJTPUUSU-UPTPFMHGSA-N 2 2 355.479 0.093 20 0 FCADLP CCOC1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)([NH+]2CCOCC2)C1 ZINC000370118402 489317377 /nfs/dbraw/zinc/31/73/77/489317377.db2.gz BSXDPTAJTPUUSU-UPTPFMHGSA-N 2 2 355.479 0.093 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000370119465 489317428 /nfs/dbraw/zinc/31/74/28/489317428.db2.gz IFLSIXXPPRXHAP-ZIAGYGMSSA-N 2 2 365.478 0.679 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000370167509 489323300 /nfs/dbraw/zinc/32/33/00/489323300.db2.gz QAEBUKDZSSYBSF-HNNXBMFYSA-N 2 2 355.446 0.728 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCN(c2cnccn2)CC1 ZINC000370167509 489323304 /nfs/dbraw/zinc/32/33/04/489323304.db2.gz QAEBUKDZSSYBSF-HNNXBMFYSA-N 2 2 355.446 0.728 20 0 FCADLP O=C(Cc1noc(C2CC[NH+](C3CC3)CC2)n1)NCC[NH+]1CCOCC1 ZINC000350257991 489337128 /nfs/dbraw/zinc/33/71/28/489337128.db2.gz JYLBAYVUZSMCPI-UHFFFAOYSA-N 2 2 363.462 0.402 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370282608 489339076 /nfs/dbraw/zinc/33/90/76/489339076.db2.gz XMXLCJQISQWQMW-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370282608 489339078 /nfs/dbraw/zinc/33/90/78/489339078.db2.gz XMXLCJQISQWQMW-BFYDXBDKSA-N 2 2 354.495 0.648 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2noc(C[N@H+](C)[C@@H]3CCSC3)n2)CC1 ZINC000350712654 489346168 /nfs/dbraw/zinc/34/61/68/489346168.db2.gz AVMYLSBIHSEDAC-CYBMUJFWSA-N 2 2 353.492 0.714 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)CC1 ZINC000350712654 489346169 /nfs/dbraw/zinc/34/61/69/489346169.db2.gz AVMYLSBIHSEDAC-CYBMUJFWSA-N 2 2 353.492 0.714 20 0 FCADLP Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000286065781 489352245 /nfs/dbraw/zinc/35/22/45/489352245.db2.gz RZOAQECOSLKDHY-UHFFFAOYSA-N 2 2 363.487 0.313 20 0 FCADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N2CCn3c[nH+]cc3C2)o1 ZINC000298715981 489356035 /nfs/dbraw/zinc/35/60/35/489356035.db2.gz ZYALSSBHDHWKNT-UHFFFAOYSA-N 2 2 359.430 0.717 20 0 FCADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000361718562 489363784 /nfs/dbraw/zinc/36/37/84/489363784.db2.gz OZBMSJBNRKUDSR-DOTOQJQBSA-N 2 2 362.478 0.576 20 0 FCADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)cc1 ZINC000286248360 489373570 /nfs/dbraw/zinc/37/35/70/489373570.db2.gz VCDFCISCSZEDIM-ROUUACIJSA-N 2 2 373.457 0.885 20 0 FCADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)cc1 ZINC000286248360 489373571 /nfs/dbraw/zinc/37/35/71/489373571.db2.gz VCDFCISCSZEDIM-ROUUACIJSA-N 2 2 373.457 0.885 20 0 FCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000286256549 489374069 /nfs/dbraw/zinc/37/40/69/489374069.db2.gz VNYHNPFLGBYMRT-IBGZPJMESA-N 2 2 360.502 0.593 20 0 FCADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000286256549 489374070 /nfs/dbraw/zinc/37/40/70/489374070.db2.gz VNYHNPFLGBYMRT-IBGZPJMESA-N 2 2 360.502 0.593 20 0 FCADLP C[C@H](C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCSCC1 ZINC000362137873 489376331 /nfs/dbraw/zinc/37/63/31/489376331.db2.gz QRAFVBOKZIZGEF-OAHLLOKOSA-N 2 2 368.547 0.436 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1Cl ZINC000563549594 491254568 /nfs/dbraw/zinc/25/45/68/491254568.db2.gz JRGSTMOJLLZVEF-HUBLWGQQSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1Cl ZINC000563549594 491254571 /nfs/dbraw/zinc/25/45/71/491254571.db2.gz JRGSTMOJLLZVEF-HUBLWGQQSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000563505389 491251783 /nfs/dbraw/zinc/25/17/83/491251783.db2.gz RQOGCKGSQPWOON-XLIONFOSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000563505389 491251784 /nfs/dbraw/zinc/25/17/84/491251784.db2.gz RQOGCKGSQPWOON-XLIONFOSSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000362672843 489391804 /nfs/dbraw/zinc/39/18/04/489391804.db2.gz KVRUPUORSAQJDL-MSOLQXFVSA-N 3 2 367.538 0.253 20 0 FCADLP C[N@@H+]1CCc2ncnc(NC[C@H]3C[C@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690503 489392617 /nfs/dbraw/zinc/39/26/17/489392617.db2.gz NLFNNAVYGPHDJL-SJORKVTESA-N 2 2 353.470 1.512 20 0 FCADLP C[N@H+]1CCc2ncnc(NC[C@H]3C[C@H](O)C[NH+]3Cc3ccccc3)c2C1 ZINC000362690503 489392619 /nfs/dbraw/zinc/39/26/19/489392619.db2.gz NLFNNAVYGPHDJL-SJORKVTESA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)c2C1 ZINC000362690503 489392621 /nfs/dbraw/zinc/39/26/21/489392621.db2.gz NLFNNAVYGPHDJL-SJORKVTESA-N 2 2 353.470 1.512 20 0 FCADLP C[NH+]1CCc2ncnc(NC[C@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)c2C1 ZINC000362690503 489392625 /nfs/dbraw/zinc/39/26/25/489392625.db2.gz NLFNNAVYGPHDJL-SJORKVTESA-N 2 2 353.470 1.512 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000370767045 489398960 /nfs/dbraw/zinc/39/89/60/489398960.db2.gz QSOGTOYTCQQCHZ-MRXNPFEDSA-N 2 2 370.497 0.638 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930218 489405769 /nfs/dbraw/zinc/40/57/69/489405769.db2.gz BQNQMHPKFXFEAX-DLBZAZTESA-N 2 2 369.425 0.790 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000362930218 489405772 /nfs/dbraw/zinc/40/57/72/489405772.db2.gz BQNQMHPKFXFEAX-DLBZAZTESA-N 2 2 369.425 0.790 20 0 FCADLP CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829595 489408481 /nfs/dbraw/zinc/40/84/81/489408481.db2.gz HMHKWEJTNHRZFH-ZBFHGGJFSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829595 489408483 /nfs/dbraw/zinc/40/84/83/489408483.db2.gz HMHKWEJTNHRZFH-ZBFHGGJFSA-N 2 2 351.495 0.404 20 0 FCADLP CN(C(=O)CCN1CCCS1(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837701 489409273 /nfs/dbraw/zinc/40/92/73/489409273.db2.gz DFWDUYOEVZCWAV-MRXNPFEDSA-N 2 2 372.535 0.039 20 0 FCADLP CN(C(=O)CCN1CCCS1(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837701 489409276 /nfs/dbraw/zinc/40/92/76/489409276.db2.gz DFWDUYOEVZCWAV-MRXNPFEDSA-N 2 2 372.535 0.039 20 0 FCADLP CN(C(=O)c1ccccc1-n1cnnn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838681 489409355 /nfs/dbraw/zinc/40/93/55/489409355.db2.gz GNYCLYUOCOQDLH-INIZCTEOSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccccc1-n1cnnn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838681 489409358 /nfs/dbraw/zinc/40/93/58/489409358.db2.gz GNYCLYUOCOQDLH-INIZCTEOSA-N 2 2 369.473 0.903 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1OCC(N)=O ZINC000299147793 489410283 /nfs/dbraw/zinc/41/02/83/489410283.db2.gz ZZPVBVMZABYFRJ-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1OCC(N)=O ZINC000299147793 489410285 /nfs/dbraw/zinc/41/02/85/489410285.db2.gz ZZPVBVMZABYFRJ-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000299277181 489427742 /nfs/dbraw/zinc/42/77/42/489427742.db2.gz XSZVYAMGMSVXJZ-UHFFFAOYSA-N 2 2 355.442 0.777 20 0 FCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000563617442 491258900 /nfs/dbraw/zinc/25/89/00/491258900.db2.gz DRRPTNAXOUCQED-MKXGPGLRSA-N 3 2 356.555 0.320 20 0 FCADLP O=C(CC[N@H+]1CCC[C@](F)(CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000287121293 489462237 /nfs/dbraw/zinc/46/22/37/489462237.db2.gz XGZIRHNJOFLOMV-GOSISDBHSA-N 2 2 350.438 0.917 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@](F)(CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000287121293 489462239 /nfs/dbraw/zinc/46/22/39/489462239.db2.gz XGZIRHNJOFLOMV-GOSISDBHSA-N 2 2 350.438 0.917 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296044 489474618 /nfs/dbraw/zinc/47/46/18/489474618.db2.gz WQONDMGLBLNWMA-IJLUTSLNSA-N 2 2 366.384 0.558 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC000371296044 489474620 /nfs/dbraw/zinc/47/46/20/489474620.db2.gz WQONDMGLBLNWMA-IJLUTSLNSA-N 2 2 366.384 0.558 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC4(C3)OCCO4)C2)CC1 ZINC000371313023 489476360 /nfs/dbraw/zinc/47/63/60/489476360.db2.gz JEQQCEHPICULDY-HNNXBMFYSA-N 2 2 352.479 0.703 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC4(C3)OCCO4)C2)CC1 ZINC000371313023 489476361 /nfs/dbraw/zinc/47/63/61/489476361.db2.gz JEQQCEHPICULDY-HNNXBMFYSA-N 2 2 352.479 0.703 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539931 489477553 /nfs/dbraw/zinc/47/75/53/489477553.db2.gz QNWFHUICNAXBRU-MSOLQXFVSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539931 489477555 /nfs/dbraw/zinc/47/75/55/489477555.db2.gz QNWFHUICNAXBRU-MSOLQXFVSA-N 3 2 351.539 0.251 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371341317 489478301 /nfs/dbraw/zinc/47/83/01/489478301.db2.gz NEHIEKACSYNGCS-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CC1(NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC[NH2+]CC1 ZINC000563582109 491256276 /nfs/dbraw/zinc/25/62/76/491256276.db2.gz UHKYUKORWYLCDH-UHFFFAOYSA-N 2 2 351.495 0.372 20 0 FCADLP CC[C@H](CNS(C)(=O)=O)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000414214679 489492940 /nfs/dbraw/zinc/49/29/40/489492940.db2.gz SUGOZFLMUHVWBG-LLVKDONJSA-N 2 2 361.431 0.950 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000423112735 489494405 /nfs/dbraw/zinc/49/44/05/489494405.db2.gz KEHMRBVDJUSJDJ-UHFFFAOYSA-N 2 2 364.515 0.645 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)n2)CC1 ZINC000555576961 491257132 /nfs/dbraw/zinc/25/71/32/491257132.db2.gz YLGANZHOEBVJKN-UHFFFAOYSA-N 2 2 372.477 1.223 20 0 FCADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)CN1CCOCC1 ZINC000414568202 489502120 /nfs/dbraw/zinc/50/21/20/489502120.db2.gz MSFQWVAMZCDEAN-UHFFFAOYSA-N 2 2 362.522 0.771 20 0 FCADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)CN1CCOCC1 ZINC000414568202 489502123 /nfs/dbraw/zinc/50/21/23/489502123.db2.gz MSFQWVAMZCDEAN-UHFFFAOYSA-N 2 2 362.522 0.771 20 0 FCADLP C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000414590888 489506543 /nfs/dbraw/zinc/50/65/43/489506543.db2.gz ARERHJCMDYLVBU-HOTGVXAUSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000414590888 489506546 /nfs/dbraw/zinc/50/65/46/489506546.db2.gz ARERHJCMDYLVBU-HOTGVXAUSA-N 2 2 368.522 0.090 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000423256520 489507594 /nfs/dbraw/zinc/50/75/94/489507594.db2.gz FLKRILVUVNHLKB-WBVHZDCISA-N 2 2 374.485 0.721 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000423257607 489507942 /nfs/dbraw/zinc/50/79/42/489507942.db2.gz KHZSTQVUCKXKBO-HZPDHXFCSA-N 2 2 374.485 0.721 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)[NH+]1CCOCC1 ZINC000451598543 489511038 /nfs/dbraw/zinc/51/10/38/489511038.db2.gz WCKVNYSFFBRZNS-WMZOPIPTSA-N 2 2 353.507 0.600 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423297371 489512822 /nfs/dbraw/zinc/51/28/22/489512822.db2.gz KAPZZQCWHUGOSB-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000423297371 489512823 /nfs/dbraw/zinc/51/28/23/489512823.db2.gz KAPZZQCWHUGOSB-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000415189654 489513414 /nfs/dbraw/zinc/51/34/14/489513414.db2.gz PZWSMEOYHWUAPZ-QGZVFWFLSA-N 2 2 352.483 1.100 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000415420228 489518771 /nfs/dbraw/zinc/51/87/71/489518771.db2.gz WEYSCXXBBKOVSP-CABCVRRESA-N 2 2 362.474 0.990 20 0 FCADLP COC[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451927032 489531586 /nfs/dbraw/zinc/53/15/86/489531586.db2.gz NAOLRMJGSQEFAG-GOSISDBHSA-N 2 2 367.515 0.723 20 0 FCADLP COC[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451927032 489531588 /nfs/dbraw/zinc/53/15/88/489531588.db2.gz NAOLRMJGSQEFAG-GOSISDBHSA-N 2 2 367.515 0.723 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425864409 489535274 /nfs/dbraw/zinc/53/52/74/489535274.db2.gz NIGPMTKYZRXHIB-ZWKOTPCHSA-N 2 2 367.453 0.732 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425864409 489535277 /nfs/dbraw/zinc/53/52/77/489535277.db2.gz NIGPMTKYZRXHIB-ZWKOTPCHSA-N 2 2 367.453 0.732 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000415728653 489547302 /nfs/dbraw/zinc/54/73/02/489547302.db2.gz AMKBJJRDZJGHSL-UHFFFAOYSA-N 2 2 359.474 0.193 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000555649375 491262367 /nfs/dbraw/zinc/26/23/67/491262367.db2.gz WAUIDSSPVOTYFA-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000426207490 489559386 /nfs/dbraw/zinc/55/93/86/489559386.db2.gz WEGDSHJYIBYGHO-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000426207490 489559389 /nfs/dbraw/zinc/55/93/89/489559389.db2.gz WEGDSHJYIBYGHO-WMZOPIPTSA-N 2 2 358.486 0.917 20 0 FCADLP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000415950164 489565306 /nfs/dbraw/zinc/56/53/06/489565306.db2.gz HHJIACAHJSAGEV-MRXNPFEDSA-N 2 2 369.429 0.966 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416002567 489567384 /nfs/dbraw/zinc/56/73/84/489567384.db2.gz FDIUMDYLFMIYON-ZDUSSCGKSA-N 3 2 353.433 0.934 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416002567 489567385 /nfs/dbraw/zinc/56/73/85/489567385.db2.gz FDIUMDYLFMIYON-ZDUSSCGKSA-N 3 2 353.433 0.934 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000372533494 489595143 /nfs/dbraw/zinc/59/51/43/489595143.db2.gz LYUYTZKLYIDBGJ-CQSZACIVSA-N 2 2 351.451 0.041 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000372533494 489595145 /nfs/dbraw/zinc/59/51/45/489595145.db2.gz LYUYTZKLYIDBGJ-CQSZACIVSA-N 2 2 351.451 0.041 20 0 FCADLP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000456161434 489608248 /nfs/dbraw/zinc/60/82/48/489608248.db2.gz CZJKTDVVEVUJJI-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689846 491265952 /nfs/dbraw/zinc/26/59/52/491265952.db2.gz JUMSZYPIKXJOGZ-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000555689846 491265953 /nfs/dbraw/zinc/26/59/53/491265953.db2.gz JUMSZYPIKXJOGZ-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555689846 491265954 /nfs/dbraw/zinc/26/59/54/491265954.db2.gz JUMSZYPIKXJOGZ-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555689846 491265955 /nfs/dbraw/zinc/26/59/55/491265955.db2.gz JUMSZYPIKXJOGZ-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000427857172 489623670 /nfs/dbraw/zinc/62/36/70/489623670.db2.gz YJZZSDQDFJXOSI-QGZVFWFLSA-N 2 2 362.474 0.914 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000427857172 489623673 /nfs/dbraw/zinc/62/36/73/489623673.db2.gz YJZZSDQDFJXOSI-QGZVFWFLSA-N 2 2 362.474 0.914 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCOc3cccc(C(N)=O)c3)C2)CC1 ZINC000372685172 489623912 /nfs/dbraw/zinc/62/39/12/489623912.db2.gz OIEVCVPQLQWJCJ-MRXNPFEDSA-N 2 2 374.485 0.839 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCOc3cccc(C(N)=O)c3)C2)CC1 ZINC000372685172 489623916 /nfs/dbraw/zinc/62/39/16/489623916.db2.gz OIEVCVPQLQWJCJ-MRXNPFEDSA-N 2 2 374.485 0.839 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416802226 489629873 /nfs/dbraw/zinc/62/98/73/489629873.db2.gz AZNNCGWSULARED-SFHVURJKSA-N 2 2 361.490 0.092 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416802226 489629875 /nfs/dbraw/zinc/62/98/75/489629875.db2.gz AZNNCGWSULARED-SFHVURJKSA-N 2 2 361.490 0.092 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000372743223 489632087 /nfs/dbraw/zinc/63/20/87/489632087.db2.gz QVIULKBJCBITLW-UONOGXRCSA-N 2 2 354.476 0.023 20 0 FCADLP COCC[NH2+]CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416884772 489633052 /nfs/dbraw/zinc/63/30/52/489633052.db2.gz DIPMSQRROHKRGL-KRWDZBQOSA-N 2 2 350.463 0.595 20 0 FCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000372770658 489635356 /nfs/dbraw/zinc/63/53/56/489635356.db2.gz ULOACGKRIGYCME-MGNMYUMUSA-N 2 2 364.490 0.038 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416945936 489635616 /nfs/dbraw/zinc/63/56/16/489635616.db2.gz FNWIWOYFJORKPM-KRWDZBQOSA-N 2 2 356.474 0.677 20 0 FCADLP C[N@H+](CCCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000457197657 489640180 /nfs/dbraw/zinc/64/01/80/489640180.db2.gz IQRDIBXHACSIPB-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@@H+](CCCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000457197657 489640182 /nfs/dbraw/zinc/64/01/82/489640182.db2.gz IQRDIBXHACSIPB-INIZCTEOSA-N 2 2 366.506 0.158 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000428194498 489641973 /nfs/dbraw/zinc/64/19/73/489641973.db2.gz FPLIXIZAWPKLLN-UHFFFAOYSA-N 2 2 360.458 0.023 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cn2c1 ZINC000417185404 489644423 /nfs/dbraw/zinc/64/44/23/489644423.db2.gz DDDGALVUSSRVPE-AWEZNQCLSA-N 2 2 358.446 0.639 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000457393833 489646078 /nfs/dbraw/zinc/64/60/78/489646078.db2.gz GAMKMUZHJCJIEC-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000457393833 489646079 /nfs/dbraw/zinc/64/60/79/489646079.db2.gz GAMKMUZHJCJIEC-UHFFFAOYSA-N 2 2 355.527 0.424 20 0 FCADLP CC(C)([NH3+])CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417317947 489648008 /nfs/dbraw/zinc/64/80/08/489648008.db2.gz KGQAATGIYBAFHU-UHFFFAOYSA-N 2 2 350.463 0.934 20 0 FCADLP C[C@@H](CCC[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417366431 489649843 /nfs/dbraw/zinc/64/98/43/489649843.db2.gz KPKFWJGXLOVRBH-HNNXBMFYSA-N 2 2 362.478 0.547 20 0 FCADLP CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC([NH3+])C1 ZINC000417372216 489650487 /nfs/dbraw/zinc/65/04/87/489650487.db2.gz YELIFJGNEHTFTR-UHFFFAOYSA-N 2 2 360.462 0.251 20 0 FCADLP C[C@H](NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417515412 489657026 /nfs/dbraw/zinc/65/70/26/489657026.db2.gz DBRMRCQGUJIAGO-JYJNAYRXSA-N 2 2 369.510 0.125 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NCC(F)(F)C[NH3+])CC2 ZINC000417671018 489660683 /nfs/dbraw/zinc/66/06/83/489660683.db2.gz PQYDLMPDEWHOFQ-UHFFFAOYSA-N 2 2 372.416 0.955 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NCC(F)(F)C[NH3+])CC2 ZINC000417671018 489660685 /nfs/dbraw/zinc/66/06/85/489660685.db2.gz PQYDLMPDEWHOFQ-UHFFFAOYSA-N 2 2 372.416 0.955 20 0 FCADLP [NH3+][C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1c(F)cccc1F ZINC000417789187 489665825 /nfs/dbraw/zinc/66/58/25/489665825.db2.gz UTFAUYIDOLBYJH-LRDDRELGSA-N 2 2 366.412 0.635 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417830006 489667251 /nfs/dbraw/zinc/66/72/51/489667251.db2.gz ATENHCRCGHCOFV-QGZVFWFLSA-N 2 2 356.474 0.829 20 0 FCADLP C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022704 489670806 /nfs/dbraw/zinc/67/08/06/489670806.db2.gz UDXXHMHCCIPVME-FGTMMUONSA-N 2 2 366.550 0.876 20 0 FCADLP C[C@H]1C[C@H]1[N@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022704 489670808 /nfs/dbraw/zinc/67/08/08/489670808.db2.gz UDXXHMHCCIPVME-FGTMMUONSA-N 2 2 366.550 0.876 20 0 FCADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022706 489670828 /nfs/dbraw/zinc/67/08/28/489670828.db2.gz UDXXHMHCCIPVME-KURKYZTESA-N 2 2 366.550 0.876 20 0 FCADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000429022706 489670830 /nfs/dbraw/zinc/67/08/30/489670830.db2.gz UDXXHMHCCIPVME-KURKYZTESA-N 2 2 366.550 0.876 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000458180378 489672973 /nfs/dbraw/zinc/67/29/73/489672973.db2.gz POIOBTINMMUZHF-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000458180378 489672976 /nfs/dbraw/zinc/67/29/76/489672976.db2.gz POIOBTINMMUZHF-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000458180378 489672978 /nfs/dbraw/zinc/67/29/78/489672978.db2.gz POIOBTINMMUZHF-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418285529 489687797 /nfs/dbraw/zinc/68/77/97/489687797.db2.gz PHPGCSFWUSQIBN-OAHLLOKOSA-N 2 2 351.495 0.467 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000418350760 489693564 /nfs/dbraw/zinc/69/35/64/489693564.db2.gz RENXGHCGXJDEJU-MRXNPFEDSA-N 2 2 351.495 0.326 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418398481 489696556 /nfs/dbraw/zinc/69/65/56/489696556.db2.gz FEGVUUVYRADQLC-HZPDHXFCSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000469271450 489699211 /nfs/dbraw/zinc/69/92/11/489699211.db2.gz ZVURSVCAAXHOCP-QGZVFWFLSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000469271450 489699214 /nfs/dbraw/zinc/69/92/14/489699214.db2.gz ZVURSVCAAXHOCP-QGZVFWFLSA-N 2 2 361.490 0.431 20 0 FCADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418514812 489703164 /nfs/dbraw/zinc/70/31/64/489703164.db2.gz OTNTZXQPLJKOSC-CYBMUJFWSA-N 2 2 351.426 0.230 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000489361154 489708414 /nfs/dbraw/zinc/70/84/14/489708414.db2.gz MQTJMFUKSVOMIA-YKCBXCCJSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000489361154 489708416 /nfs/dbraw/zinc/70/84/16/489708416.db2.gz MQTJMFUKSVOMIA-YKCBXCCJSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418613484 489710100 /nfs/dbraw/zinc/71/01/00/489710100.db2.gz FUYZYCTZLHMOBJ-RDJZCZTQSA-N 2 2 365.522 0.842 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418618711 489710925 /nfs/dbraw/zinc/71/09/25/489710925.db2.gz OPSJRPQEMMNZKY-MRXNPFEDSA-N 2 2 367.538 0.960 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000555796890 491273495 /nfs/dbraw/zinc/27/34/95/491273495.db2.gz PGBGZHUFOHQZNX-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000555796890 491273497 /nfs/dbraw/zinc/27/34/97/491273497.db2.gz PGBGZHUFOHQZNX-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000555796890 491273498 /nfs/dbraw/zinc/27/34/98/491273498.db2.gz PGBGZHUFOHQZNX-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000555796890 491273500 /nfs/dbraw/zinc/27/35/00/491273500.db2.gz PGBGZHUFOHQZNX-OKILXGFUSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000418689247 489717884 /nfs/dbraw/zinc/71/78/84/489717884.db2.gz FQZIVPHJBDVCGU-HOTGVXAUSA-N 2 2 369.510 0.078 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H](CC[NH3+])C(F)F)cn1 ZINC000418701544 489718849 /nfs/dbraw/zinc/71/88/49/489718849.db2.gz AKBRSKPEGZWFRB-AVGNSLFASA-N 2 2 362.400 0.614 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H](CC[NH3+])C(F)F)cn1 ZINC000418701544 489718851 /nfs/dbraw/zinc/71/88/51/489718851.db2.gz AKBRSKPEGZWFRB-AVGNSLFASA-N 2 2 362.400 0.614 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418714183 489719767 /nfs/dbraw/zinc/71/97/67/489719767.db2.gz AJVKKXVFORSUAC-ZACQAIPSSA-N 2 2 365.522 0.842 20 0 FCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000418725457 489720418 /nfs/dbraw/zinc/72/04/18/489720418.db2.gz BWKXTROIJQJNFW-SFYZZRBRSA-N 2 2 363.506 0.452 20 0 FCADLP Cc1cc(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)nc(C(C)C)[nH+]1 ZINC000418753576 489722267 /nfs/dbraw/zinc/72/22/67/489722267.db2.gz ABCLGNAZXRGKPE-HNNXBMFYSA-N 2 2 362.478 0.728 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418758315 489723476 /nfs/dbraw/zinc/72/34/76/489723476.db2.gz CMMQAPFCCVKHJT-SJORKVTESA-N 2 2 365.522 0.857 20 0 FCADLP C[C@H]1[NH2+]CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000563874782 491274146 /nfs/dbraw/zinc/27/41/46/491274146.db2.gz JRPWWCAJWHEFIQ-HZPDHXFCSA-N 2 2 374.489 0.512 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2cc(C(N)=O)co2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000430219374 489724649 /nfs/dbraw/zinc/72/46/49/489724649.db2.gz MXINVBCELGMJOS-CYBMUJFWSA-N 2 2 363.462 0.688 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2cc(C(N)=O)co2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000430219374 489724652 /nfs/dbraw/zinc/72/46/52/489724652.db2.gz MXINVBCELGMJOS-CYBMUJFWSA-N 2 2 363.462 0.688 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459272778 489725342 /nfs/dbraw/zinc/72/53/42/489725342.db2.gz XREDVLRFECIKPL-QGZVFWFLSA-N 2 2 367.538 0.914 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459272778 489725344 /nfs/dbraw/zinc/72/53/44/489725344.db2.gz XREDVLRFECIKPL-QGZVFWFLSA-N 2 2 367.538 0.914 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C(=O)N(C)C ZINC000459455017 489732260 /nfs/dbraw/zinc/73/22/60/489732260.db2.gz CAFSWRBKAASXEO-HNNXBMFYSA-N 2 2 369.469 0.950 20 0 FCADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489886665 489733293 /nfs/dbraw/zinc/73/32/93/489733293.db2.gz QHPBNIURTKEFQM-CABCVRRESA-N 2 2 366.456 0.992 20 0 FCADLP CC(C)[C@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(N)=O ZINC000459481118 489734501 /nfs/dbraw/zinc/73/45/01/489734501.db2.gz MNJGPRCAYHLGMU-KRWDZBQOSA-N 2 2 352.504 0.882 20 0 FCADLP CN(CC[N@H+](C)CCc1c[nH+]cn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000459514188 489735302 /nfs/dbraw/zinc/73/53/02/489735302.db2.gz OZARFDRDDQUOPT-UHFFFAOYSA-N 2 2 351.476 0.678 20 0 FCADLP CN(CC[N@@H+](C)CCc1c[nH+]cn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000459514188 489735306 /nfs/dbraw/zinc/73/53/06/489735306.db2.gz OZARFDRDDQUOPT-UHFFFAOYSA-N 2 2 351.476 0.678 20 0 FCADLP CS(=O)(=O)c1ccc(OCCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000489912512 489735192 /nfs/dbraw/zinc/73/51/92/489735192.db2.gz WIIDPFNMAPXYRB-INIZCTEOSA-N 2 2 367.515 0.839 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489938049 489736988 /nfs/dbraw/zinc/73/69/88/489736988.db2.gz VXUCRIAZHUYFOH-QUCCMNQESA-N 2 2 371.529 0.703 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418822545 489739537 /nfs/dbraw/zinc/73/95/37/489739537.db2.gz AVJNBNRQXKPPNL-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418822545 489739543 /nfs/dbraw/zinc/73/95/43/489739543.db2.gz AVJNBNRQXKPPNL-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376476774 489740743 /nfs/dbraw/zinc/74/07/43/489740743.db2.gz JUBVYTDSWMNWJZ-FUHWJXTLSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376476774 489740746 /nfs/dbraw/zinc/74/07/46/489740746.db2.gz JUBVYTDSWMNWJZ-FUHWJXTLSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)[NH2+]CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563890258 491275531 /nfs/dbraw/zinc/27/55/31/491275531.db2.gz WPQOXLRWBUMVDV-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000430571857 489747589 /nfs/dbraw/zinc/74/75/89/489747589.db2.gz NBYUPEJRBBLHRJ-QGZVFWFLSA-N 2 2 352.504 0.996 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430580731 489748434 /nfs/dbraw/zinc/74/84/34/489748434.db2.gz FMMPHBDVGLTGMZ-INIZCTEOSA-N 2 2 372.517 0.978 20 0 FCADLP O=C(CC[NH2+]C1(CO)CCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000459703887 489748729 /nfs/dbraw/zinc/74/87/29/489748729.db2.gz FOMPXSFBOSOYSW-UHFFFAOYSA-N 2 2 364.515 0.968 20 0 FCADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430594543 489749451 /nfs/dbraw/zinc/74/94/51/489749451.db2.gz KVGWLBSSPRONHA-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418839328 489750523 /nfs/dbraw/zinc/75/05/23/489750523.db2.gz WLORQWHOAPYGDK-FGTMMUONSA-N 2 2 374.485 0.247 20 0 FCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418839328 489750528 /nfs/dbraw/zinc/75/05/28/489750528.db2.gz WLORQWHOAPYGDK-FGTMMUONSA-N 2 2 374.485 0.247 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418840905 489750971 /nfs/dbraw/zinc/75/09/71/489750971.db2.gz YLGJUSIZURKPJJ-SZMVWBNQSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418840905 489750975 /nfs/dbraw/zinc/75/09/75/489750975.db2.gz YLGJUSIZURKPJJ-SZMVWBNQSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418840902 489751031 /nfs/dbraw/zinc/75/10/31/489751031.db2.gz YLGJUSIZURKPJJ-CGTJXYLNSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418840902 489751038 /nfs/dbraw/zinc/75/10/38/489751038.db2.gz YLGJUSIZURKPJJ-CGTJXYLNSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000474298217 489751775 /nfs/dbraw/zinc/75/17/75/489751775.db2.gz HOSHUCLRXNTPIJ-OAHLLOKOSA-N 2 2 370.497 0.800 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607254 489751980 /nfs/dbraw/zinc/75/19/80/489751980.db2.gz BRVMXNWUGWEBJQ-HOCLYGCPSA-N 2 2 360.458 0.379 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430607254 489751982 /nfs/dbraw/zinc/75/19/82/489751982.db2.gz BRVMXNWUGWEBJQ-HOCLYGCPSA-N 2 2 360.458 0.379 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000376560944 489754028 /nfs/dbraw/zinc/75/40/28/489754028.db2.gz GGZBJCKOGQXWKC-HZPDHXFCSA-N 2 2 352.479 0.356 20 0 FCADLP C[NH2+][C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000430615377 489754005 /nfs/dbraw/zinc/75/40/05/489754005.db2.gz BMQPMCWGONGXSZ-SFHVURJKSA-N 2 2 358.486 0.559 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430618384 489755019 /nfs/dbraw/zinc/75/50/19/489755019.db2.gz TVXGUVNCWKQFOI-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430618384 489755020 /nfs/dbraw/zinc/75/50/20/489755020.db2.gz TVXGUVNCWKQFOI-UONOGXRCSA-N 2 2 368.503 0.935 20 0 FCADLP [NH3+]CC1CC[NH+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430622599 489756499 /nfs/dbraw/zinc/75/64/99/489756499.db2.gz GOQBAJRKMHCWLY-MRXNPFEDSA-N 2 2 357.520 0.615 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)[nH+]c2c1 ZINC000418852047 489756805 /nfs/dbraw/zinc/75/68/05/489756805.db2.gz ULDKZEMMPUUSJL-BPUTZDHNSA-N 2 2 355.442 0.845 20 0 FCADLP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635465 489758798 /nfs/dbraw/zinc/75/87/98/489758798.db2.gz VOFXLSACBYQCIJ-INIZCTEOSA-N 2 2 372.469 0.972 20 0 FCADLP CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430635465 489758801 /nfs/dbraw/zinc/75/88/01/489758801.db2.gz VOFXLSACBYQCIJ-INIZCTEOSA-N 2 2 372.469 0.972 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000376609104 489759651 /nfs/dbraw/zinc/75/96/51/489759651.db2.gz ACKQNPRGRRFFKJ-FUHWJXTLSA-N 2 2 367.538 0.517 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000430642705 489762144 /nfs/dbraw/zinc/76/21/44/489762144.db2.gz KREJSLDKROBMMP-IBGZPJMESA-N 2 2 360.502 0.948 20 0 FCADLP CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430661942 489763082 /nfs/dbraw/zinc/76/30/82/489763082.db2.gz GVKOBDPYWBOUMG-KRWDZBQOSA-N 2 2 372.469 0.972 20 0 FCADLP CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430661942 489763086 /nfs/dbraw/zinc/76/30/86/489763086.db2.gz GVKOBDPYWBOUMG-KRWDZBQOSA-N 2 2 372.469 0.972 20 0 FCADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430666392 489764131 /nfs/dbraw/zinc/76/41/31/489764131.db2.gz NZVUCLDMZMEJPB-ZDUSSCGKSA-N 2 2 350.488 0.385 20 0 FCADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430666392 489764133 /nfs/dbraw/zinc/76/41/33/489764133.db2.gz NZVUCLDMZMEJPB-ZDUSSCGKSA-N 2 2 350.488 0.385 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1[NH3+] ZINC000418873626 489768889 /nfs/dbraw/zinc/76/88/89/489768889.db2.gz IEWREJMGKUDNAU-DFBGVHRSSA-N 2 2 352.866 0.865 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418874605 489769676 /nfs/dbraw/zinc/76/96/76/489769676.db2.gz JIIXLMCLAGSOAW-DOMZBBRYSA-N 2 2 368.865 0.164 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1cccs1 ZINC000430808291 489772763 /nfs/dbraw/zinc/77/27/63/489772763.db2.gz APGOFROQDPFLPT-GUYCJALGSA-N 2 2 350.488 0.679 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)[C@H]1c1cccs1 ZINC000430808291 489772765 /nfs/dbraw/zinc/77/27/65/489772765.db2.gz APGOFROQDPFLPT-GUYCJALGSA-N 2 2 350.488 0.679 20 0 FCADLP COCC[C@@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000430876615 489774827 /nfs/dbraw/zinc/77/48/27/489774827.db2.gz RWMJCTHJRZGIIE-KRWDZBQOSA-N 2 2 351.451 0.170 20 0 FCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430924243 489777197 /nfs/dbraw/zinc/77/71/97/489777197.db2.gz IMJPGCZPHXIGRK-INIZCTEOSA-N 2 2 360.458 0.056 20 0 FCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000430924243 489777201 /nfs/dbraw/zinc/77/72/01/489777201.db2.gz IMJPGCZPHXIGRK-INIZCTEOSA-N 2 2 360.458 0.056 20 0 FCADLP CCCCN(C(=O)C[NH+]1CCC(C[NH2+]C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430924393 489777289 /nfs/dbraw/zinc/77/72/89/489777289.db2.gz HXAVZGHCWZWGCN-MRXNPFEDSA-N 2 2 359.536 0.734 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430929280 489778206 /nfs/dbraw/zinc/77/82/06/489778206.db2.gz ORDFZRQLWQPWKQ-GXTWGEPZSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430929280 489778209 /nfs/dbraw/zinc/77/82/09/489778209.db2.gz ORDFZRQLWQPWKQ-GXTWGEPZSA-N 2 2 351.447 0.998 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000376702236 489779001 /nfs/dbraw/zinc/77/90/01/489779001.db2.gz VDPPBSKJJWDKNO-INIZCTEOSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712724 489781885 /nfs/dbraw/zinc/78/18/85/489781885.db2.gz WQIOMOSJCBGGDZ-HIFRSBDPSA-N 2 2 360.449 0.237 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCN3CC(F)F)C2)CC1 ZINC000376712724 489781891 /nfs/dbraw/zinc/78/18/91/489781891.db2.gz WQIOMOSJCBGGDZ-HIFRSBDPSA-N 2 2 360.449 0.237 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000430960319 489781983 /nfs/dbraw/zinc/78/19/83/489781983.db2.gz IGWHIMRTJZYHSR-ZIAGYGMSSA-N 2 2 350.438 0.660 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000430960319 489781989 /nfs/dbraw/zinc/78/19/89/489781989.db2.gz IGWHIMRTJZYHSR-ZIAGYGMSSA-N 2 2 350.438 0.660 20 0 FCADLP O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[C@@H]1COCC[NH2+]1 ZINC000430998254 489783864 /nfs/dbraw/zinc/78/38/64/489783864.db2.gz FFLWARNSBYTXLB-INIZCTEOSA-N 2 2 359.430 0.365 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000418906107 489783897 /nfs/dbraw/zinc/78/38/97/489783897.db2.gz QAJKTKGIXNVEGF-GJZGRUSLSA-N 2 2 355.442 0.756 20 0 FCADLP CCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083322 489787480 /nfs/dbraw/zinc/78/74/80/489787480.db2.gz LMKIQPGESRORFX-GOSISDBHSA-N 3 2 354.539 0.923 20 0 FCADLP CCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083322 489787484 /nfs/dbraw/zinc/78/74/84/489787484.db2.gz LMKIQPGESRORFX-GOSISDBHSA-N 3 2 354.539 0.923 20 0 FCADLP CCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083322 489787487 /nfs/dbraw/zinc/78/74/87/489787487.db2.gz LMKIQPGESRORFX-GOSISDBHSA-N 3 2 354.539 0.923 20 0 FCADLP CCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000431083322 489787492 /nfs/dbraw/zinc/78/74/92/489787492.db2.gz LMKIQPGESRORFX-GOSISDBHSA-N 3 2 354.539 0.923 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431073860 489788064 /nfs/dbraw/zinc/78/80/64/489788064.db2.gz NDXFMBGHCSCMGD-ZDUSSCGKSA-N 2 2 364.494 0.828 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)CC1 ZINC000431083773 489788102 /nfs/dbraw/zinc/78/81/02/489788102.db2.gz DTKWBXHZBMHNNG-UHFFFAOYSA-N 2 2 364.494 0.640 20 0 FCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)CC1 ZINC000431083773 489788106 /nfs/dbraw/zinc/78/81/06/489788106.db2.gz DTKWBXHZBMHNNG-UHFFFAOYSA-N 3 2 364.494 0.640 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418915092 489788328 /nfs/dbraw/zinc/78/83/28/489788328.db2.gz UPAWOZNPLFRFPU-UVBJJODRSA-N 2 2 368.428 0.798 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000418915092 489788331 /nfs/dbraw/zinc/78/83/31/489788331.db2.gz UPAWOZNPLFRFPU-UVBJJODRSA-N 2 2 368.428 0.798 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000459916625 489791430 /nfs/dbraw/zinc/79/14/30/489791430.db2.gz CSAILLOMFPZBCH-UHFFFAOYSA-N 2 2 372.513 0.928 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000459916625 489791433 /nfs/dbraw/zinc/79/14/33/489791433.db2.gz CSAILLOMFPZBCH-UHFFFAOYSA-N 2 2 372.513 0.928 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000459920926 489794048 /nfs/dbraw/zinc/79/40/48/489794048.db2.gz NRIZCEIXCBEGNV-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000459920926 489794051 /nfs/dbraw/zinc/79/40/51/489794051.db2.gz NRIZCEIXCBEGNV-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000459920926 489794056 /nfs/dbraw/zinc/79/40/56/489794056.db2.gz NRIZCEIXCBEGNV-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000459920926 489794061 /nfs/dbraw/zinc/79/40/61/489794061.db2.gz NRIZCEIXCBEGNV-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418933614 489795125 /nfs/dbraw/zinc/79/51/25/489795125.db2.gz BEOMJWRKXDYWQU-AWEZNQCLSA-N 2 2 352.504 0.712 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418933614 489795129 /nfs/dbraw/zinc/79/51/29/489795129.db2.gz BEOMJWRKXDYWQU-AWEZNQCLSA-N 2 2 352.504 0.712 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)CC1 ZINC000376781791 489795305 /nfs/dbraw/zinc/79/53/05/489795305.db2.gz BKPGSRXEPJLYEG-INIZCTEOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000418948411 489800126 /nfs/dbraw/zinc/80/01/26/489800126.db2.gz UCMHMBJONXXKHJ-KGLIPLIRSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000418948411 489800133 /nfs/dbraw/zinc/80/01/33/489800133.db2.gz UCMHMBJONXXKHJ-KGLIPLIRSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000376830512 489802145 /nfs/dbraw/zinc/80/21/45/489802145.db2.gz NNGWSYNGDBUIJH-LSDHHAIUSA-N 2 2 350.467 0.772 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418981952 489810085 /nfs/dbraw/zinc/81/00/85/489810085.db2.gz BNNACCQNOZLLGX-CABCVRRESA-N 2 2 355.442 0.529 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418988728 489811192 /nfs/dbraw/zinc/81/11/92/489811192.db2.gz IXEXVAAXQUJIGG-UHFFFAOYSA-N 2 2 357.458 0.967 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H](C2CC2)C1 ZINC000459993759 489811841 /nfs/dbraw/zinc/81/18/41/489811841.db2.gz SSUCVVAKQZOCNV-INIZCTEOSA-N 2 2 350.507 0.729 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H](C2CC2)C1 ZINC000459993759 489811842 /nfs/dbraw/zinc/81/18/42/489811842.db2.gz SSUCVVAKQZOCNV-INIZCTEOSA-N 2 2 350.507 0.729 20 0 FCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459993307 489811970 /nfs/dbraw/zinc/81/19/70/489811970.db2.gz SJHPXTQWYJPVDV-LJQANCHMSA-N 2 2 368.522 0.498 20 0 FCADLP CO[C@]1(C)CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459993307 489811973 /nfs/dbraw/zinc/81/19/73/489811973.db2.gz SJHPXTQWYJPVDV-LJQANCHMSA-N 2 2 368.522 0.498 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000459994676 489812074 /nfs/dbraw/zinc/81/20/74/489812074.db2.gz MIJYXDHUFHVVCY-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000459994676 489812079 /nfs/dbraw/zinc/81/20/79/489812079.db2.gz MIJYXDHUFHVVCY-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459994676 489812085 /nfs/dbraw/zinc/81/20/85/489812085.db2.gz MIJYXDHUFHVVCY-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459994676 489812089 /nfs/dbraw/zinc/81/20/89/489812089.db2.gz MIJYXDHUFHVVCY-MRXNPFEDSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418997439 489813362 /nfs/dbraw/zinc/81/33/62/489813362.db2.gz GASWPIDXTLUAOX-QGZVFWFLSA-N 2 2 362.474 0.514 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000418997439 489813366 /nfs/dbraw/zinc/81/33/66/489813366.db2.gz GASWPIDXTLUAOX-QGZVFWFLSA-N 2 2 362.474 0.514 20 0 FCADLP CC[C@H]1COCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000460001178 489813976 /nfs/dbraw/zinc/81/39/76/489813976.db2.gz ALNLTFZACYUDRM-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1COCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000460001178 489813982 /nfs/dbraw/zinc/81/39/82/489813982.db2.gz ALNLTFZACYUDRM-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491901018 489814174 /nfs/dbraw/zinc/81/41/74/489814174.db2.gz KHJPJFWVTVQSNH-INIZCTEOSA-N 2 2 374.445 0.483 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460010266 489817087 /nfs/dbraw/zinc/81/70/87/489817087.db2.gz GYIBGWSKPCBUBS-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP COC(=O)CN1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000475333954 489821229 /nfs/dbraw/zinc/82/12/29/489821229.db2.gz OXEIVRUVINPUQR-MRXNPFEDSA-N 2 2 360.458 0.805 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000419025216 489822241 /nfs/dbraw/zinc/82/22/41/489822241.db2.gz YQTDZXAAJPWEQS-ZIAGYGMSSA-N 2 2 361.833 0.839 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000419025214 489822955 /nfs/dbraw/zinc/82/29/55/489822955.db2.gz YQTDZXAAJPWEQS-KGLIPLIRSA-N 2 2 361.833 0.839 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@H]1C[NH3+] ZINC000419043771 489832053 /nfs/dbraw/zinc/83/20/53/489832053.db2.gz RRAPJQBLXJMZPY-GOEBONIOSA-N 2 2 355.442 0.932 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H](C)C[NH3+])[nH+]c12 ZINC000419044117 489832285 /nfs/dbraw/zinc/83/22/85/489832285.db2.gz PBGMDKOZDUUYLK-VIFPVBQESA-N 2 2 368.235 0.485 20 0 FCADLP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000492662516 489833253 /nfs/dbraw/zinc/83/32/53/489833253.db2.gz XCPKRCSACPWYMQ-KRWDZBQOSA-N 2 2 360.502 0.771 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)c2)CCO1 ZINC000419066478 489842819 /nfs/dbraw/zinc/84/28/19/489842819.db2.gz FALZOZBRURCDDZ-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)c2)CCO1 ZINC000419066478 489842824 /nfs/dbraw/zinc/84/28/24/489842824.db2.gz FALZOZBRURCDDZ-HZPDHXFCSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000419067911 489842995 /nfs/dbraw/zinc/84/29/95/489842995.db2.gz DSXMPMOIXKMHKV-IUODEOHRSA-N 2 2 359.405 0.585 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[NH2+]1 ZINC000419070092 489844677 /nfs/dbraw/zinc/84/46/77/489844677.db2.gz GSGYRGZGQQYVAB-WFASDCNBSA-N 2 2 359.405 0.585 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000419073195 489846352 /nfs/dbraw/zinc/84/63/52/489846352.db2.gz KUYUGNNAMLIQJD-SWLSCSKDSA-N 2 2 359.405 0.715 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000419073196 489846635 /nfs/dbraw/zinc/84/66/35/489846635.db2.gz KUYUGNNAMLIQJD-WFASDCNBSA-N 2 2 359.405 0.715 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000493603286 489851446 /nfs/dbraw/zinc/85/14/46/489851446.db2.gz IYVJEGOMTPLUNI-GOSISDBHSA-N 2 2 354.539 0.877 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000460253781 489858053 /nfs/dbraw/zinc/85/80/53/489858053.db2.gz JWJOTUIEZMWUNO-IAGOWNOFSA-N 2 2 357.543 0.621 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000460253781 489858057 /nfs/dbraw/zinc/85/80/57/489858057.db2.gz JWJOTUIEZMWUNO-IAGOWNOFSA-N 2 2 357.543 0.621 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419111183 489859909 /nfs/dbraw/zinc/85/99/09/489859909.db2.gz DCHJORLIJOTCCA-YVSFHVDLSA-N 2 2 366.506 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000419110719 489860058 /nfs/dbraw/zinc/86/00/58/489860058.db2.gz CMEYSORJDYIBFO-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419115373 489861345 /nfs/dbraw/zinc/86/13/45/489861345.db2.gz JKIXFHRTQILPMM-IXDOHACOSA-N 2 2 368.522 0.435 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419115371 489862045 /nfs/dbraw/zinc/86/20/45/489862045.db2.gz JKIXFHRTQILPMM-GVDBMIGSSA-N 2 2 368.522 0.435 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000419116299 489862821 /nfs/dbraw/zinc/86/28/21/489862821.db2.gz LKKXKPWRLQESHV-MRXNPFEDSA-N 2 2 368.522 0.627 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419116285 489862908 /nfs/dbraw/zinc/86/29/08/489862908.db2.gz LJBHSOCZPFQTBE-PMPSAXMXSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000419119832 489864260 /nfs/dbraw/zinc/86/42/60/489864260.db2.gz PJWFZIIXBQPNRF-ZBFHGGJFSA-N 2 2 359.474 0.741 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419121079 489865360 /nfs/dbraw/zinc/86/53/60/489865360.db2.gz ROUDFVYKFKMHGZ-GVDBMIGSSA-N 2 2 368.522 0.293 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[C@@H](C)[NH2+]1 ZINC000419120521 489865511 /nfs/dbraw/zinc/86/55/11/489865511.db2.gz QNIGIEUVQKPPAL-HUUCEWRRSA-N 2 2 359.474 0.897 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000433150293 489869208 /nfs/dbraw/zinc/86/92/08/489869208.db2.gz LJZXCXSMELBFJW-JYJNAYRXSA-N 2 2 356.511 0.197 20 0 FCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433388530 489880294 /nfs/dbraw/zinc/88/02/94/489880294.db2.gz UYMGNCAKNHGBSL-JTQLQIEISA-N 2 2 357.340 0.891 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000420019186 489881888 /nfs/dbraw/zinc/88/18/88/489881888.db2.gz ZWXDVHMXDXXXPJ-KGLIPLIRSA-N 2 2 361.446 0.125 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000420025945 489884874 /nfs/dbraw/zinc/88/48/74/489884874.db2.gz BVVLVCZFRXWEJD-OCCSQVGLSA-N 2 2 363.462 0.407 20 0 FCADLP CCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433483308 489889246 /nfs/dbraw/zinc/88/92/46/489889246.db2.gz DRKUFLKIJWLKEV-LSDHHAIUSA-N 2 2 362.478 0.025 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420044745 489891917 /nfs/dbraw/zinc/89/19/17/489891917.db2.gz UBPYNJVRPZZUMU-RDJZCZTQSA-N 2 2 374.485 0.560 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420044746 489891986 /nfs/dbraw/zinc/89/19/86/489891986.db2.gz UBPYNJVRPZZUMU-WBVHZDCISA-N 2 2 374.485 0.560 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420056672 489896867 /nfs/dbraw/zinc/89/68/67/489896867.db2.gz HMCORZODWDPWDD-WFASDCNBSA-N 2 2 350.488 0.807 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+]1CCOCC1 ZINC000494698724 489905927 /nfs/dbraw/zinc/90/59/27/489905927.db2.gz KFFKDHXEAZBJGZ-XYJFISCASA-N 2 2 368.522 0.498 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433988991 489908390 /nfs/dbraw/zinc/90/83/90/489908390.db2.gz VDLUKGDBDHFLDB-ZACQAIPSSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000433988991 489908396 /nfs/dbraw/zinc/90/83/96/489908396.db2.gz VDLUKGDBDHFLDB-ZACQAIPSSA-N 2 2 356.511 0.848 20 0 FCADLP CC(C)[C@H](CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000434001016 489909789 /nfs/dbraw/zinc/90/97/89/489909789.db2.gz ARZWCOOTMRUMHU-MSOLQXFVSA-N 2 2 369.554 0.621 20 0 FCADLP Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000494804249 489914539 /nfs/dbraw/zinc/91/45/39/489914539.db2.gz BSRYBAWZAJCPHW-MRXNPFEDSA-N 2 2 363.487 0.449 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420107690 489914992 /nfs/dbraw/zinc/91/49/92/489914992.db2.gz SYBUFOPPVVHJRW-OXJNMPFZSA-N 2 2 373.501 0.793 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420110350 489915556 /nfs/dbraw/zinc/91/55/56/489915556.db2.gz FPVWIJWEOYAFID-HNTCUJBNSA-N 2 2 370.497 0.958 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420116546 489918058 /nfs/dbraw/zinc/91/80/58/489918058.db2.gz HEKHQFULSKOYIS-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420126162 489921868 /nfs/dbraw/zinc/92/18/68/489921868.db2.gz NORNILKEARTJQY-ZDUSSCGKSA-N 2 2 361.446 0.125 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000420128904 489923137 /nfs/dbraw/zinc/92/31/37/489923137.db2.gz QFEIRTFZLSENJJ-IAGOWNOFSA-N 2 2 374.485 0.466 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000420137080 489925946 /nfs/dbraw/zinc/92/59/46/489925946.db2.gz WQPVWFFQLTWCEB-SJLPKXTDSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000420145602 489930382 /nfs/dbraw/zinc/93/03/82/489930382.db2.gz PJALHYYUVNGTKW-FUHWJXTLSA-N 2 2 358.486 0.753 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420148382 489931064 /nfs/dbraw/zinc/93/10/64/489931064.db2.gz FPJHTGCIBTYUEC-UHFFFAOYSA-N 2 2 370.400 0.050 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420152218 489933648 /nfs/dbraw/zinc/93/36/48/489933648.db2.gz OIJDPFJOOWFZBJ-UHFFFAOYSA-N 2 2 354.401 0.431 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420152218 489933652 /nfs/dbraw/zinc/93/36/52/489933652.db2.gz OIJDPFJOOWFZBJ-UHFFFAOYSA-N 2 2 354.401 0.431 20 0 FCADLP CN(C(=O)c1ccnc(-n2cncn2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638345 489936378 /nfs/dbraw/zinc/93/63/78/489936378.db2.gz YZHHKKLZJCLHFX-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccnc(-n2cncn2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638345 489936379 /nfs/dbraw/zinc/93/63/79/489936379.db2.gz YZHHKKLZJCLHFX-QGZVFWFLSA-N 2 2 369.473 0.903 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000420164349 489936906 /nfs/dbraw/zinc/93/69/06/489936906.db2.gz GIVBJIGIQFJBJS-CYBMUJFWSA-N 2 2 354.401 0.430 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420164349 489936908 /nfs/dbraw/zinc/93/69/08/489936908.db2.gz GIVBJIGIQFJBJS-CYBMUJFWSA-N 2 2 354.401 0.430 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000461780850 489937716 /nfs/dbraw/zinc/93/77/16/489937716.db2.gz VDZPDSPHPQCQHH-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000420165223 489937749 /nfs/dbraw/zinc/93/77/49/489937749.db2.gz NARKNATUXGPYEQ-GOSISDBHSA-N 2 2 356.470 0.928 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000420165223 489937751 /nfs/dbraw/zinc/93/77/51/489937751.db2.gz NARKNATUXGPYEQ-GOSISDBHSA-N 2 2 356.470 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000420172821 489939868 /nfs/dbraw/zinc/93/98/68/489939868.db2.gz WCTGURWKICPQOI-BZUAXINKSA-N 2 2 366.506 0.060 20 0 FCADLP CCOCC[C@@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000434639874 489940402 /nfs/dbraw/zinc/94/04/02/489940402.db2.gz XEXWEAJHFRKIGR-MRXNPFEDSA-N 2 2 365.478 0.223 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420176257 489941535 /nfs/dbraw/zinc/94/15/35/489941535.db2.gz PTVZEERYCOTINE-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000461868148 489941794 /nfs/dbraw/zinc/94/17/94/489941794.db2.gz ZTZXDZRSKBOMIL-ZBFHGGJFSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420178148 489942481 /nfs/dbraw/zinc/94/24/81/489942481.db2.gz AGBUADVDPWMZSB-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420178148 489942483 /nfs/dbraw/zinc/94/24/83/489942483.db2.gz AGBUADVDPWMZSB-WMZOPIPTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000420186946 489944800 /nfs/dbraw/zinc/94/48/00/489944800.db2.gz CVOZSXQGWOHARS-BPQIPLTHSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000420186946 489944805 /nfs/dbraw/zinc/94/48/05/489944805.db2.gz CVOZSXQGWOHARS-BPQIPLTHSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000420186952 489945396 /nfs/dbraw/zinc/94/53/96/489945396.db2.gz CVOZSXQGWOHARS-NJAFHUGGSA-N 2 2 358.486 0.963 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000420186952 489945397 /nfs/dbraw/zinc/94/53/97/489945397.db2.gz CVOZSXQGWOHARS-NJAFHUGGSA-N 2 2 358.486 0.963 20 0 FCADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420199375 489949100 /nfs/dbraw/zinc/94/91/00/489949100.db2.gz DEFXZQFISUCBCE-KLZNWCGWSA-N 2 2 358.442 0.566 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420201305 489949840 /nfs/dbraw/zinc/94/98/40/489949840.db2.gz YDISOJVUWYOZSL-SFHVURJKSA-N 2 2 374.485 0.134 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000571185306 491291135 /nfs/dbraw/zinc/29/11/35/491291135.db2.gz ZUFCICYWVALTGW-JKSUJKDBSA-N 2 2 354.495 0.014 20 0 FCADLP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297403 489960360 /nfs/dbraw/zinc/96/03/60/489960360.db2.gz DCSOVABQBFQAOI-IKGGRYGDSA-N 2 2 355.504 0.321 20 0 FCADLP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297403 489960365 /nfs/dbraw/zinc/96/03/65/489960365.db2.gz DCSOVABQBFQAOI-IKGGRYGDSA-N 2 2 355.504 0.321 20 0 FCADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000420310269 489961805 /nfs/dbraw/zinc/96/18/05/489961805.db2.gz FSFSWRWFEUHHND-GOSISDBHSA-N 3 2 360.502 0.978 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000420313063 489962600 /nfs/dbraw/zinc/96/26/00/489962600.db2.gz TXVQPXZDGYMPQN-UHTWSYAYSA-N 2 2 352.460 0.856 20 0 FCADLP CCOC(=O)Cc1csc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000420313063 489962603 /nfs/dbraw/zinc/96/26/03/489962603.db2.gz TXVQPXZDGYMPQN-UHTWSYAYSA-N 2 2 352.460 0.856 20 0 FCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000477430542 489964651 /nfs/dbraw/zinc/96/46/51/489964651.db2.gz OKOIBJRAODCNAY-INIZCTEOSA-N 2 2 353.511 0.176 20 0 FCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000477430542 489964654 /nfs/dbraw/zinc/96/46/54/489964654.db2.gz OKOIBJRAODCNAY-INIZCTEOSA-N 2 2 353.511 0.176 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000420364650 489967266 /nfs/dbraw/zinc/96/72/66/489967266.db2.gz KJMQGTGVTNEFTP-JUFZMCDQSA-N 2 2 354.476 0.637 20 0 FCADLP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420360495 489967715 /nfs/dbraw/zinc/96/77/15/489967715.db2.gz WUKHMEBBWYINGQ-CPRYYRBXSA-N 2 2 352.479 0.421 20 0 FCADLP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420360495 489967719 /nfs/dbraw/zinc/96/77/19/489967719.db2.gz WUKHMEBBWYINGQ-CPRYYRBXSA-N 2 2 352.479 0.421 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1C ZINC000420360194 489967919 /nfs/dbraw/zinc/96/79/19/489967919.db2.gz KSHNBPUALGUGAF-AWEZNQCLSA-N 2 2 356.492 0.805 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)ccc1C ZINC000420373492 489968449 /nfs/dbraw/zinc/96/84/49/489968449.db2.gz RERQELIBPSGTBN-GDZNZVCISA-N 2 2 368.503 0.818 20 0 FCADLP Cc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1S(N)(=O)=O ZINC000420369213 489968498 /nfs/dbraw/zinc/96/84/98/489968498.db2.gz OEKCAFUPESUBFT-MQIPJXDCSA-N 2 2 354.476 0.557 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)ccc1C ZINC000420373500 489968928 /nfs/dbraw/zinc/96/89/28/489968928.db2.gz RERQELIBPSGTBN-PBFPGSCMSA-N 2 2 368.503 0.818 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420378575 489969941 /nfs/dbraw/zinc/96/99/41/489969941.db2.gz MERUKATVRLGDDW-MRXNPFEDSA-N 2 2 372.429 0.799 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420378575 489969944 /nfs/dbraw/zinc/96/99/44/489969944.db2.gz MERUKATVRLGDDW-MRXNPFEDSA-N 2 2 372.429 0.799 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385164 489970444 /nfs/dbraw/zinc/97/04/44/489970444.db2.gz UOSGYGPHQCKFGM-VQIMIIECSA-N 2 2 358.490 0.589 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385164 489970447 /nfs/dbraw/zinc/97/04/47/489970447.db2.gz UOSGYGPHQCKFGM-VQIMIIECSA-N 2 2 358.490 0.589 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000420389951 489970759 /nfs/dbraw/zinc/97/07/59/489970759.db2.gz MRLRNZCXNRCJTN-LJQANCHMSA-N 3 2 360.502 0.948 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000420389951 489970762 /nfs/dbraw/zinc/97/07/62/489970762.db2.gz MRLRNZCXNRCJTN-LJQANCHMSA-N 3 2 360.502 0.948 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000420396679 489971461 /nfs/dbraw/zinc/97/14/61/489971461.db2.gz VZGWEIMSGKIDOS-QGZVFWFLSA-N 2 2 350.438 0.524 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000420396679 489971463 /nfs/dbraw/zinc/97/14/63/489971463.db2.gz VZGWEIMSGKIDOS-QGZVFWFLSA-N 2 2 350.438 0.524 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462404446 489973694 /nfs/dbraw/zinc/97/36/94/489973694.db2.gz WGGZXKLBCZQYBB-HNAYVOBHSA-N 2 2 360.458 0.638 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462404446 489973697 /nfs/dbraw/zinc/97/36/97/489973697.db2.gz WGGZXKLBCZQYBB-HNAYVOBHSA-N 2 2 360.458 0.638 20 0 FCADLP COC(=O)C[C@@](C)([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000571202157 491292532 /nfs/dbraw/zinc/29/25/32/491292532.db2.gz XKAWOQLEEZXAEN-LJQANCHMSA-N 2 2 363.458 0.837 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000556082328 491292549 /nfs/dbraw/zinc/29/25/49/491292549.db2.gz DUPHHQSBVHUGRE-GOSISDBHSA-N 2 2 368.522 0.992 20 0 FCADLP COCC[C@H](COC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462514976 489979873 /nfs/dbraw/zinc/97/98/73/489979873.db2.gz BTWBTFHNKPYWEO-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP COCC[C@H](COC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462514976 489979874 /nfs/dbraw/zinc/97/98/74/489979874.db2.gz BTWBTFHNKPYWEO-HZPDHXFCSA-N 2 2 356.511 0.848 20 0 FCADLP CCOCCS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420467511 489982026 /nfs/dbraw/zinc/98/20/26/489982026.db2.gz DCPKTQSGZOKGTD-UHFFFAOYSA-N 2 2 355.504 0.936 20 0 FCADLP COCC(=O)N1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000462785762 489992526 /nfs/dbraw/zinc/99/25/26/489992526.db2.gz RMWXTMRQSFTFKG-UHFFFAOYSA-N 2 2 355.479 0.631 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000435373459 490000682 /nfs/dbraw/zinc/00/06/82/490000682.db2.gz NLPNLHMLOGYGJH-GOEBONIOSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000435373459 490000687 /nfs/dbraw/zinc/00/06/87/490000687.db2.gz NLPNLHMLOGYGJH-GOEBONIOSA-N 2 2 353.488 0.877 20 0 FCADLP Cc1ncsc1C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C[C@H]1CC[NH2+]C1 ZINC000435441870 490001821 /nfs/dbraw/zinc/00/18/21/490001821.db2.gz IDSLWAQIHPBNDN-ZDUSSCGKSA-N 2 2 363.487 0.461 20 0 FCADLP Cc1ncsc1C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C[C@H]1CC[NH2+]C1 ZINC000435441870 490001824 /nfs/dbraw/zinc/00/18/24/490001824.db2.gz IDSLWAQIHPBNDN-ZDUSSCGKSA-N 2 2 363.487 0.461 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435474520 490002793 /nfs/dbraw/zinc/00/27/93/490002793.db2.gz WVZPTKAGHSKSNM-HZPDHXFCSA-N 2 2 361.446 0.584 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435474520 490002797 /nfs/dbraw/zinc/00/27/97/490002797.db2.gz WVZPTKAGHSKSNM-HZPDHXFCSA-N 2 2 361.446 0.584 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478214863 490010298 /nfs/dbraw/zinc/01/02/98/490010298.db2.gz YKSIDJMSTJQTFL-ULQDDVLXSA-N 2 2 356.511 0.440 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478214863 490010304 /nfs/dbraw/zinc/01/03/04/490010304.db2.gz YKSIDJMSTJQTFL-ULQDDVLXSA-N 2 2 356.511 0.440 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccnc(C[NH3+])c3)cc2)CC1 ZINC000463474131 490019669 /nfs/dbraw/zinc/01/96/69/490019669.db2.gz LXXOGOMCHYUNNG-UHFFFAOYSA-N 2 2 367.453 0.858 20 0 FCADLP [NH3+]Cc1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000463476661 490020042 /nfs/dbraw/zinc/02/00/42/490020042.db2.gz RBNKBNVDVZLECN-UHFFFAOYSA-N 2 2 368.441 0.404 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420819956 490024003 /nfs/dbraw/zinc/02/40/03/490024003.db2.gz MGEUIBHVIYPBSJ-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000420819956 490024006 /nfs/dbraw/zinc/02/40/06/490024006.db2.gz MGEUIBHVIYPBSJ-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000556110953 491295505 /nfs/dbraw/zinc/29/55/05/491295505.db2.gz TTZYLMCGHOKJHL-WBVHZDCISA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000556110953 491295507 /nfs/dbraw/zinc/29/55/07/491295507.db2.gz TTZYLMCGHOKJHL-WBVHZDCISA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000478829508 490040673 /nfs/dbraw/zinc/04/06/73/490040673.db2.gz VRIMQAQEWHCNCL-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000478829508 490040677 /nfs/dbraw/zinc/04/06/77/490040677.db2.gz VRIMQAQEWHCNCL-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478829508 490040682 /nfs/dbraw/zinc/04/06/82/490040682.db2.gz VRIMQAQEWHCNCL-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478829508 490040687 /nfs/dbraw/zinc/04/06/87/490040687.db2.gz VRIMQAQEWHCNCL-AWEZNQCLSA-N 2 2 364.515 0.775 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[C@@H]1CCSC1 ZINC000478960429 490057223 /nfs/dbraw/zinc/05/72/23/490057223.db2.gz STQQSXHOKLYKRN-CVEARBPZSA-N 2 2 357.520 0.373 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[C@@H]1CCSC1 ZINC000478960429 490057226 /nfs/dbraw/zinc/05/72/26/490057226.db2.gz STQQSXHOKLYKRN-CVEARBPZSA-N 2 2 357.520 0.373 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000479018541 490062239 /nfs/dbraw/zinc/06/22/39/490062239.db2.gz YSFWELZWWCQSAW-QGZVFWFLSA-N 2 2 369.469 0.984 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000479018541 490062244 /nfs/dbraw/zinc/06/22/44/490062244.db2.gz YSFWELZWWCQSAW-QGZVFWFLSA-N 2 2 369.469 0.984 20 0 FCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423303 490062666 /nfs/dbraw/zinc/06/26/66/490062666.db2.gz BIGHYYFLLKBEJF-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000479072638 490065027 /nfs/dbraw/zinc/06/50/27/490065027.db2.gz VIWDGMQSQIBYNG-GOSISDBHSA-N 2 2 353.470 0.980 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443061343 490065559 /nfs/dbraw/zinc/06/55/59/490065559.db2.gz RHCCMQDYPZJMPX-ARFHVFGLSA-N 2 2 359.536 0.861 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443061343 490065560 /nfs/dbraw/zinc/06/55/60/490065560.db2.gz RHCCMQDYPZJMPX-ARFHVFGLSA-N 2 2 359.536 0.861 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443061346 490065995 /nfs/dbraw/zinc/06/59/95/490065995.db2.gz RHCCMQDYPZJMPX-XHSDSOJGSA-N 2 2 359.536 0.861 20 0 FCADLP CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443061346 490065996 /nfs/dbraw/zinc/06/59/96/490065996.db2.gz RHCCMQDYPZJMPX-XHSDSOJGSA-N 2 2 359.536 0.861 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000464769791 490067420 /nfs/dbraw/zinc/06/74/20/490067420.db2.gz AGEYPPZIHYALJS-OAHLLOKOSA-N 2 2 362.540 0.048 20 0 FCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000464769791 490067423 /nfs/dbraw/zinc/06/74/23/490067423.db2.gz AGEYPPZIHYALJS-OAHLLOKOSA-N 2 2 362.540 0.048 20 0 FCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1(CCO)CCOCC1 ZINC000495456314 490078068 /nfs/dbraw/zinc/07/80/68/490078068.db2.gz ZLWPLGPSDDJSSA-UHFFFAOYSA-N 2 2 357.495 0.077 20 0 FCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1(CCO)CCOCC1 ZINC000495456314 490078073 /nfs/dbraw/zinc/07/80/73/490078073.db2.gz ZLWPLGPSDDJSSA-UHFFFAOYSA-N 2 2 357.495 0.077 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000519819950 490090967 /nfs/dbraw/zinc/09/09/67/490090967.db2.gz BTCMBSMIYDIVCH-LXTVHRRPSA-N 2 2 374.428 0.764 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000519819950 490090970 /nfs/dbraw/zinc/09/09/70/490090970.db2.gz BTCMBSMIYDIVCH-LXTVHRRPSA-N 2 2 374.428 0.764 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)N3CC[NH2+]CC3)c2)CC1 ZINC000520197212 490115491 /nfs/dbraw/zinc/11/54/91/490115491.db2.gz ALHZNXYNBPSMSW-UHFFFAOYSA-N 2 2 367.475 0.060 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000479755046 490124131 /nfs/dbraw/zinc/12/41/31/490124131.db2.gz NLFXQJXKDFLMAD-UHFFFAOYSA-N 2 2 351.476 0.549 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000479755046 490124139 /nfs/dbraw/zinc/12/41/39/490124139.db2.gz NLFXQJXKDFLMAD-UHFFFAOYSA-N 2 2 351.476 0.549 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000422027647 490127870 /nfs/dbraw/zinc/12/78/70/490127870.db2.gz WMZWCKZHOTYUKI-GOSISDBHSA-N 3 2 366.550 0.973 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000422027647 490127875 /nfs/dbraw/zinc/12/78/75/490127875.db2.gz WMZWCKZHOTYUKI-GOSISDBHSA-N 3 2 366.550 0.973 20 0 FCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000479879884 490132437 /nfs/dbraw/zinc/13/24/37/490132437.db2.gz LLDDACJZMIWBFW-HNNXBMFYSA-N 2 2 352.479 0.942 20 0 FCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000479879884 490132447 /nfs/dbraw/zinc/13/24/47/490132447.db2.gz LLDDACJZMIWBFW-HNNXBMFYSA-N 2 2 352.479 0.942 20 0 FCADLP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)(C)C ZINC000479881629 490133176 /nfs/dbraw/zinc/13/31/76/490133176.db2.gz BSXXXBVHBAAXBK-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000564337640 491301762 /nfs/dbraw/zinc/30/17/62/491301762.db2.gz DTTDITPIGATOKD-UHFFFAOYSA-N 2 2 359.474 0.852 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000520384390 490140909 /nfs/dbraw/zinc/14/09/09/490140909.db2.gz PTLDKWYWEVJIRE-OAHLLOKOSA-N 2 2 355.527 0.421 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000520384390 490140912 /nfs/dbraw/zinc/14/09/12/490140912.db2.gz PTLDKWYWEVJIRE-OAHLLOKOSA-N 2 2 355.527 0.421 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000422092673 490145249 /nfs/dbraw/zinc/14/52/49/490145249.db2.gz DEEXVIKIJJEJKU-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000422092673 490145254 /nfs/dbraw/zinc/14/52/54/490145254.db2.gz DEEXVIKIJJEJKU-IBGZPJMESA-N 2 2 372.513 0.926 20 0 FCADLP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000465858723 490147294 /nfs/dbraw/zinc/14/72/94/490147294.db2.gz JJSUMHCDSVQPOU-ZACQAIPSSA-N 2 2 355.527 0.278 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000506875057 490148682 /nfs/dbraw/zinc/14/86/82/490148682.db2.gz SCCDTCNVHNSGAM-HDMKZQKVSA-N 2 2 374.489 0.867 20 0 FCADLP C[C@@](O)(CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000466025533 490160141 /nfs/dbraw/zinc/16/01/41/490160141.db2.gz ILAHWZRUARIURF-LJQANCHMSA-N 2 2 373.457 0.755 20 0 FCADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCCn1cc[nH+]c1 ZINC000520575815 490165911 /nfs/dbraw/zinc/16/59/11/490165911.db2.gz HWXWWMCNWPQLBX-UHFFFAOYSA-N 2 2 372.477 0.575 20 0 FCADLP C[C@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000497510779 490170538 /nfs/dbraw/zinc/17/05/38/490170538.db2.gz OALGLRNSGWCHAK-GOSISDBHSA-N 2 2 368.570 0.149 20 0 FCADLP C[C@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)C[NH+]1CCN(C)CC1 ZINC000497510779 490170540 /nfs/dbraw/zinc/17/05/40/490170540.db2.gz OALGLRNSGWCHAK-GOSISDBHSA-N 2 2 368.570 0.149 20 0 FCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000497570120 490177265 /nfs/dbraw/zinc/17/72/65/490177265.db2.gz ABSMNEIQAJABBM-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CCO[C@@H](CC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520684972 490178338 /nfs/dbraw/zinc/17/83/38/490178338.db2.gz CCHWPVOAYPFIKM-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422134717 490183371 /nfs/dbraw/zinc/18/33/71/490183371.db2.gz JUDFQLHGSWRAQY-WMZOPIPTSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422134717 490183381 /nfs/dbraw/zinc/18/33/81/490183381.db2.gz JUDFQLHGSWRAQY-WMZOPIPTSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000407988998 490195971 /nfs/dbraw/zinc/19/59/71/490195971.db2.gz WFWZBVAWJHYDQE-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP CCCN1C[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000422171633 490196833 /nfs/dbraw/zinc/19/68/33/490196833.db2.gz CLRASQJQENYQHW-OAHLLOKOSA-N 2 2 353.511 0.570 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000546212319 490209007 /nfs/dbraw/zinc/20/90/07/490209007.db2.gz NNFLRUDUNHSJTH-INIZCTEOSA-N 2 2 351.495 0.511 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000546212319 490209012 /nfs/dbraw/zinc/20/90/12/490209012.db2.gz NNFLRUDUNHSJTH-INIZCTEOSA-N 2 2 351.495 0.511 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000507467469 490226138 /nfs/dbraw/zinc/22/61/38/490226138.db2.gz FLNQNAFSHFPFOX-CZUORRHYSA-N 2 2 362.478 0.771 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000564474592 491309238 /nfs/dbraw/zinc/30/92/38/491309238.db2.gz RPAMDBGESGFEKX-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000422290955 490234203 /nfs/dbraw/zinc/23/42/03/490234203.db2.gz CIQIZLAAOCKIMO-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000422290955 490234206 /nfs/dbraw/zinc/23/42/06/490234206.db2.gz CIQIZLAAOCKIMO-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP [NH3+]CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000466990425 490236819 /nfs/dbraw/zinc/23/68/19/490236819.db2.gz YBYYQUYDJVFPQZ-UHFFFAOYSA-N 2 2 368.485 0.976 20 0 FCADLP [NH3+]CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000466990425 490236822 /nfs/dbraw/zinc/23/68/22/490236822.db2.gz YBYYQUYDJVFPQZ-UHFFFAOYSA-N 2 2 368.485 0.976 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)C1 ZINC000571461083 491309827 /nfs/dbraw/zinc/30/98/27/491309827.db2.gz GCWSZCWIGMMACC-PWSUYJOCSA-N 2 2 358.430 0.707 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000422301235 490244062 /nfs/dbraw/zinc/24/40/62/490244062.db2.gz WFKWXZIWVCYTIK-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000422301235 490244070 /nfs/dbraw/zinc/24/40/70/490244070.db2.gz WFKWXZIWVCYTIK-XHSDSOJGSA-N 2 2 354.495 0.060 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000571507226 491312150 /nfs/dbraw/zinc/31/21/50/491312150.db2.gz AKMDPKMPWPJQFX-CYBMUJFWSA-N 2 2 358.450 0.337 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000507747695 490262373 /nfs/dbraw/zinc/26/23/73/490262373.db2.gz LGTRRJRFCUOHSI-UHFFFAOYSA-N 2 2 367.494 0.193 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937295 490265444 /nfs/dbraw/zinc/26/54/44/490265444.db2.gz NZBBESYXFTZNQE-MSOLQXFVSA-N 2 2 350.507 0.477 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C1 ZINC000482937295 490265453 /nfs/dbraw/zinc/26/54/53/490265453.db2.gz NZBBESYXFTZNQE-MSOLQXFVSA-N 2 2 350.507 0.477 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526682 491313305 /nfs/dbraw/zinc/31/33/05/491313305.db2.gz KOMJFIYNZVKSSN-SFHVURJKSA-N 3 2 372.513 0.936 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526682 491313307 /nfs/dbraw/zinc/31/33/07/491313307.db2.gz KOMJFIYNZVKSSN-SFHVURJKSA-N 3 2 372.513 0.936 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526682 491313309 /nfs/dbraw/zinc/31/33/09/491313309.db2.gz KOMJFIYNZVKSSN-SFHVURJKSA-N 3 2 372.513 0.936 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000571526682 491313310 /nfs/dbraw/zinc/31/33/10/491313310.db2.gz KOMJFIYNZVKSSN-SFHVURJKSA-N 3 2 372.513 0.936 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH+](CCn2cncn2)CC1 ZINC000564639956 491317420 /nfs/dbraw/zinc/31/74/20/491317420.db2.gz JINVCLGCWDXIDP-UHFFFAOYSA-N 2 2 359.434 0.320 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000467375165 490287266 /nfs/dbraw/zinc/28/72/66/490287266.db2.gz DMLLSHHRXFCGKR-UHFFFAOYSA-N 2 2 358.402 0.138 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000508208491 490308835 /nfs/dbraw/zinc/30/88/35/490308835.db2.gz YXAYCYRSBGWRBM-UHFFFAOYSA-N 2 2 367.538 0.121 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(CC)CC2)CC1 ZINC000508208491 490308841 /nfs/dbraw/zinc/30/88/41/490308841.db2.gz YXAYCYRSBGWRBM-UHFFFAOYSA-N 2 2 367.538 0.121 20 0 FCADLP COCCO[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000534128539 490324207 /nfs/dbraw/zinc/32/42/07/490324207.db2.gz HQPFLVVAUKDVAI-MRXNPFEDSA-N 2 2 357.495 0.341 20 0 FCADLP COCCO[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000534128539 490324209 /nfs/dbraw/zinc/32/42/09/490324209.db2.gz HQPFLVVAUKDVAI-MRXNPFEDSA-N 2 2 357.495 0.341 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000522019193 490328566 /nfs/dbraw/zinc/32/85/66/490328566.db2.gz XGWXUHFMBPRAGY-QGZVFWFLSA-N 2 2 373.501 0.965 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000522025706 490331179 /nfs/dbraw/zinc/33/11/79/490331179.db2.gz UWCAQRFHYUOKNW-HZPDHXFCSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000522025706 490331182 /nfs/dbraw/zinc/33/11/82/490331182.db2.gz UWCAQRFHYUOKNW-HZPDHXFCSA-N 2 2 361.490 0.941 20 0 FCADLP O=C([C@@H]1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000534269258 490338192 /nfs/dbraw/zinc/33/81/92/490338192.db2.gz WNELNPLIICJKLP-IAGOWNOFSA-N 2 2 368.441 0.963 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659038 490338426 /nfs/dbraw/zinc/33/84/26/490338426.db2.gz OKFMNAJYSYDTPS-OWCLPIDISA-N 2 2 359.474 0.647 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1=O ZINC000547659038 490338431 /nfs/dbraw/zinc/33/84/31/490338431.db2.gz OKFMNAJYSYDTPS-OWCLPIDISA-N 2 2 359.474 0.647 20 0 FCADLP COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000534270463 490339101 /nfs/dbraw/zinc/33/91/01/490339101.db2.gz QLKCPUXPPFFADY-UHFFFAOYSA-N 2 2 372.429 0.667 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000498837567 490350820 /nfs/dbraw/zinc/35/08/20/490350820.db2.gz SFXUBMKAGFHBMU-OAHLLOKOSA-N 2 2 356.536 0.483 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000498837567 490350825 /nfs/dbraw/zinc/35/08/25/490350825.db2.gz SFXUBMKAGFHBMU-OAHLLOKOSA-N 2 2 356.536 0.483 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000564729363 491323195 /nfs/dbraw/zinc/32/31/95/491323195.db2.gz OLJRBDLIBOKVAJ-CABCVRRESA-N 2 2 361.442 0.080 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000564729363 491323197 /nfs/dbraw/zinc/32/31/97/491323197.db2.gz OLJRBDLIBOKVAJ-CABCVRRESA-N 2 2 361.442 0.080 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000498952041 490371206 /nfs/dbraw/zinc/37/12/06/490371206.db2.gz PUNFXOCENPCEPM-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000498952041 490371207 /nfs/dbraw/zinc/37/12/07/490371207.db2.gz PUNFXOCENPCEPM-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000498952041 490371216 /nfs/dbraw/zinc/37/12/16/490371216.db2.gz PUNFXOCENPCEPM-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000498952041 490371224 /nfs/dbraw/zinc/37/12/24/490371224.db2.gz PUNFXOCENPCEPM-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)c1 ZINC000498959015 490372279 /nfs/dbraw/zinc/37/22/79/490372279.db2.gz AXMSXUMQIXLIJP-UHFFFAOYSA-N 2 2 371.485 0.807 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)CC2)c1 ZINC000498959015 490372284 /nfs/dbraw/zinc/37/22/84/490372284.db2.gz AXMSXUMQIXLIJP-UHFFFAOYSA-N 2 2 371.485 0.807 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000484046419 490375022 /nfs/dbraw/zinc/37/50/22/490375022.db2.gz QGOWYAYJGWXPGS-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000484046419 490375028 /nfs/dbraw/zinc/37/50/28/490375028.db2.gz QGOWYAYJGWXPGS-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000499058765 490384110 /nfs/dbraw/zinc/38/41/10/490384110.db2.gz YQDJBADFTRLYCK-UHFFFAOYSA-N 2 2 355.504 0.825 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000499058765 490384117 /nfs/dbraw/zinc/38/41/17/490384117.db2.gz YQDJBADFTRLYCK-UHFFFAOYSA-N 2 2 355.504 0.825 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCCn2cc[nH+]c2)ccc1OCC[NH+](C)C ZINC000411132697 490390939 /nfs/dbraw/zinc/39/09/39/490390939.db2.gz YGMZOXDBSYRXHG-UHFFFAOYSA-N 2 2 359.430 0.887 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499180882 490394920 /nfs/dbraw/zinc/39/49/20/490394920.db2.gz MBGZILLOHXGHPW-CYBMUJFWSA-N 2 2 350.419 0.598 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000484196919 490395539 /nfs/dbraw/zinc/39/55/39/490395539.db2.gz CKCONRADCCSHNY-HUUCEWRRSA-N 2 2 362.478 0.043 20 0 FCADLP C[N@@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000411145533 490396000 /nfs/dbraw/zinc/39/60/00/490396000.db2.gz CKJICXORUNIMLJ-UHFFFAOYSA-N 2 2 372.513 0.903 20 0 FCADLP C[N@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000411145533 490396008 /nfs/dbraw/zinc/39/60/08/490396008.db2.gz CKJICXORUNIMLJ-UHFFFAOYSA-N 2 2 372.513 0.903 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000522829569 490409724 /nfs/dbraw/zinc/40/97/24/490409724.db2.gz LBJPJIMLUSVQTR-UHFFFAOYSA-N 2 2 359.434 0.844 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC(C)C[C@H]2C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000548162149 490432210 /nfs/dbraw/zinc/43/22/10/490432210.db2.gz KJELOJSCDQRRFU-QZTJIDSGSA-N 2 2 364.534 0.977 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422629037 490433346 /nfs/dbraw/zinc/43/33/46/490433346.db2.gz WDHCXWKVCMBBCE-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1CO ZINC000484699320 490455436 /nfs/dbraw/zinc/45/54/36/490455436.db2.gz DWVXGIGCUQKXSO-APWZRJJASA-N 2 2 361.486 0.695 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1CO ZINC000484699320 490455444 /nfs/dbraw/zinc/45/54/44/490455444.db2.gz DWVXGIGCUQKXSO-APWZRJJASA-N 2 2 361.486 0.695 20 0 FCADLP CCO[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1OC ZINC000484739636 490461772 /nfs/dbraw/zinc/46/17/72/490461772.db2.gz UYZOBIXDOAWREW-BRWVUGGUSA-N 2 2 356.511 0.846 20 0 FCADLP CCO[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1OC ZINC000484739636 490461781 /nfs/dbraw/zinc/46/17/81/490461781.db2.gz UYZOBIXDOAWREW-BRWVUGGUSA-N 2 2 356.511 0.846 20 0 FCADLP COCC[C@H](CCCC(=O)N1CC[NH+](C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC000499903973 490468138 /nfs/dbraw/zinc/46/81/38/490468138.db2.gz LIOAAFCQNCCZHF-KRWDZBQOSA-N 2 2 368.522 0.357 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000564897857 491334645 /nfs/dbraw/zinc/33/46/45/491334645.db2.gz BXMPGFLYGCIGRZ-HNNXBMFYSA-N 2 2 365.865 0.996 20 0 FCADLP CS[C@@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000535297984 490475521 /nfs/dbraw/zinc/47/55/21/490475521.db2.gz IWRRWJOJUADWOK-HNNXBMFYSA-N 2 2 370.563 0.825 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548383556 490477327 /nfs/dbraw/zinc/47/73/27/490477327.db2.gz ZFDDGQIXDOJOHB-CYBMUJFWSA-N 2 2 374.489 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000548383556 490477334 /nfs/dbraw/zinc/47/73/34/490477334.db2.gz ZFDDGQIXDOJOHB-CYBMUJFWSA-N 2 2 374.489 0.952 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000500080694 490483426 /nfs/dbraw/zinc/48/34/26/490483426.db2.gz FEGDNDZSLAZMHX-IBGZPJMESA-N 2 2 360.458 0.934 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000484992025 490487815 /nfs/dbraw/zinc/48/78/15/490487815.db2.gz XACWAZKNUPRMMW-OLZOCXBDSA-N 2 2 351.447 0.998 20 0 FCADLP COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000484992025 490487820 /nfs/dbraw/zinc/48/78/20/490487820.db2.gz XACWAZKNUPRMMW-OLZOCXBDSA-N 2 2 351.447 0.998 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422887723 490491536 /nfs/dbraw/zinc/49/15/36/490491536.db2.gz ZBHHBAVVLKWYQN-ZWKOTPCHSA-N 2 2 374.485 0.457 20 0 FCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889605 490491766 /nfs/dbraw/zinc/49/17/66/490491766.db2.gz PWVRGZGSXPPRJE-GJZGRUSLSA-N 3 2 354.495 0.237 20 0 FCADLP CCOC(=O)C1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889605 490491770 /nfs/dbraw/zinc/49/17/70/490491770.db2.gz PWVRGZGSXPPRJE-GJZGRUSLSA-N 3 2 354.495 0.237 20 0 FCADLP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000535470919 490493048 /nfs/dbraw/zinc/49/30/48/490493048.db2.gz YYYBWQXMOYHDKB-HNAYVOBHSA-N 2 2 369.506 0.925 20 0 FCADLP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000535470918 490493117 /nfs/dbraw/zinc/49/31/17/490493117.db2.gz YYYBWQXMOYHDKB-DNVCBOLYSA-N 2 2 369.506 0.925 20 0 FCADLP CCCCNc1cc(NCC2([NH+]3CCOCC3)CCOCC2)nc(N)[nH+]1 ZINC000413394736 490501095 /nfs/dbraw/zinc/50/10/95/490501095.db2.gz BBGZRPPTBVTBQU-UHFFFAOYSA-N 2 2 364.494 0.986 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000535576341 490503366 /nfs/dbraw/zinc/50/33/66/490503366.db2.gz WLHBMDVBUVGACX-LPHOPBHVSA-N 2 2 361.486 0.838 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000535576341 490503373 /nfs/dbraw/zinc/50/33/73/490503373.db2.gz WLHBMDVBUVGACX-LPHOPBHVSA-N 2 2 361.486 0.838 20 0 FCADLP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856157 491331819 /nfs/dbraw/zinc/33/18/19/491331819.db2.gz VZHFUDKWIZBNJJ-FCGDIQPGSA-N 3 2 356.555 0.318 20 0 FCADLP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000564856157 491331820 /nfs/dbraw/zinc/33/18/20/491331820.db2.gz VZHFUDKWIZBNJJ-FCGDIQPGSA-N 3 2 356.555 0.318 20 0 FCADLP CC[N@H+](C)CCNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000500356455 490507224 /nfs/dbraw/zinc/50/72/24/490507224.db2.gz MQMZPIQHKHQDJT-RHSMWYFYSA-N 2 2 362.478 0.866 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898683 490508233 /nfs/dbraw/zinc/50/82/33/490508233.db2.gz IOTCKHOWFWGCLE-IAGOWNOFSA-N 2 2 369.506 0.687 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898683 490508238 /nfs/dbraw/zinc/50/82/38/490508238.db2.gz IOTCKHOWFWGCLE-IAGOWNOFSA-N 2 2 369.506 0.687 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980853 490510338 /nfs/dbraw/zinc/51/03/38/490510338.db2.gz RJTSYJVQQSBJOC-AKHDSKFASA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980853 490510342 /nfs/dbraw/zinc/51/03/42/490510342.db2.gz RJTSYJVQQSBJOC-AKHDSKFASA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980853 490510347 /nfs/dbraw/zinc/51/03/47/490510347.db2.gz RJTSYJVQQSBJOC-AKHDSKFASA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422980853 490510352 /nfs/dbraw/zinc/51/03/52/490510352.db2.gz RJTSYJVQQSBJOC-AKHDSKFASA-N 2 2 361.486 0.753 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@H+](C)C1 ZINC000413903356 490510773 /nfs/dbraw/zinc/51/07/73/490510773.db2.gz OKJLDKBIFSBYDM-LBPRGKRZSA-N 2 2 374.445 0.211 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@@H+](C)C1 ZINC000413903356 490510776 /nfs/dbraw/zinc/51/07/76/490510776.db2.gz OKJLDKBIFSBYDM-LBPRGKRZSA-N 2 2 374.445 0.211 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C)C1 ZINC000413904802 490511157 /nfs/dbraw/zinc/51/11/57/490511157.db2.gz PYYAMWXQHWEJSA-JKSUJKDBSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C)C1 ZINC000413904802 490511164 /nfs/dbraw/zinc/51/11/64/490511164.db2.gz PYYAMWXQHWEJSA-JKSUJKDBSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904802 490511169 /nfs/dbraw/zinc/51/11/69/490511169.db2.gz PYYAMWXQHWEJSA-JKSUJKDBSA-N 2 2 353.463 0.051 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C)C1 ZINC000413904802 490511174 /nfs/dbraw/zinc/51/11/74/490511174.db2.gz PYYAMWXQHWEJSA-JKSUJKDBSA-N 2 2 353.463 0.051 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985281 490511845 /nfs/dbraw/zinc/51/18/45/490511845.db2.gz CYJQHDHAZCMYAP-ZACQAIPSSA-N 3 2 360.506 0.870 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985281 490511850 /nfs/dbraw/zinc/51/18/50/490511850.db2.gz CYJQHDHAZCMYAP-ZACQAIPSSA-N 2 2 360.506 0.870 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423012052 490517014 /nfs/dbraw/zinc/51/70/14/490517014.db2.gz CADFGHJNTGVHNF-AWEZNQCLSA-N 2 2 350.488 0.603 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423009469 490517741 /nfs/dbraw/zinc/51/77/41/490517741.db2.gz CXQLRHXHNKEWRZ-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000423013136 490519696 /nfs/dbraw/zinc/51/96/96/490519696.db2.gz FFCLABCVNGEXEK-GJZGRUSLSA-N 2 2 362.499 0.460 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000423020265 490520590 /nfs/dbraw/zinc/52/05/90/490520590.db2.gz ZPVBKKIXHYTBCD-AWEZNQCLSA-N 2 2 364.515 0.978 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000423021228 490520824 /nfs/dbraw/zinc/52/08/24/490520824.db2.gz BOSJFGZLOGXQFU-IRXDYDNUSA-N 2 2 360.458 0.078 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000423021228 490520833 /nfs/dbraw/zinc/52/08/33/490520833.db2.gz BOSJFGZLOGXQFU-IRXDYDNUSA-N 2 2 360.458 0.078 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423030664 490524273 /nfs/dbraw/zinc/52/42/73/490524273.db2.gz CEQFWIOCZLTNLG-KRWDZBQOSA-N 2 2 374.485 0.537 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000564884085 491333249 /nfs/dbraw/zinc/33/32/49/491333249.db2.gz ZVVKFCAECISPMN-DLBZAZTESA-N 2 2 373.505 0.334 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000564884085 491333251 /nfs/dbraw/zinc/33/32/51/491333251.db2.gz ZVVKFCAECISPMN-DLBZAZTESA-N 2 2 373.505 0.334 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000524640170 490548969 /nfs/dbraw/zinc/54/89/69/490548969.db2.gz IOOMVUONTIKGIG-GOSISDBHSA-N 2 2 360.506 0.591 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000524640170 490548970 /nfs/dbraw/zinc/54/89/70/490548970.db2.gz IOOMVUONTIKGIG-GOSISDBHSA-N 2 2 360.506 0.591 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000524640170 490548972 /nfs/dbraw/zinc/54/89/72/490548972.db2.gz IOOMVUONTIKGIG-GOSISDBHSA-N 2 2 360.506 0.591 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000524640170 490548973 /nfs/dbraw/zinc/54/89/73/490548973.db2.gz IOOMVUONTIKGIG-GOSISDBHSA-N 2 2 360.506 0.591 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000485806606 490560274 /nfs/dbraw/zinc/56/02/74/490560274.db2.gz QBHWWDUJCVSNPE-CQSZACIVSA-N 3 2 360.506 0.775 20 0 FCADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)NCC(=O)c1ccccc1 ZINC000511121090 490564162 /nfs/dbraw/zinc/56/41/62/490564162.db2.gz MKNMHADBUSAMPU-UHFFFAOYSA-N 2 2 355.442 0.917 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000571901887 491336688 /nfs/dbraw/zinc/33/66/88/491336688.db2.gz JLWSQKJQEVFFFQ-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000536471885 490582345 /nfs/dbraw/zinc/58/23/45/490582345.db2.gz XMYCYUHKXJWBGK-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP COC(=O)C1CCN(C(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000536471885 490582352 /nfs/dbraw/zinc/58/23/52/490582352.db2.gz XMYCYUHKXJWBGK-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP COC(=O)C1CCN(C(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000536471885 490582357 /nfs/dbraw/zinc/58/23/57/490582357.db2.gz XMYCYUHKXJWBGK-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP COC(=O)C1CCN(C(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000536471885 490582364 /nfs/dbraw/zinc/58/23/64/490582364.db2.gz XMYCYUHKXJWBGK-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486019466 490583305 /nfs/dbraw/zinc/58/33/05/490583305.db2.gz RWEVTMUUYJSZOF-SFHVURJKSA-N 3 2 354.458 0.972 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486019466 490583314 /nfs/dbraw/zinc/58/33/14/490583314.db2.gz RWEVTMUUYJSZOF-SFHVURJKSA-N 3 2 354.458 0.972 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000486019466 490583320 /nfs/dbraw/zinc/58/33/20/490583320.db2.gz RWEVTMUUYJSZOF-SFHVURJKSA-N 2 2 354.458 0.972 20 0 FCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000486019466 490583324 /nfs/dbraw/zinc/58/33/24/490583324.db2.gz RWEVTMUUYJSZOF-SFHVURJKSA-N 2 2 354.458 0.972 20 0 FCADLP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000571922644 491337944 /nfs/dbraw/zinc/33/79/44/491337944.db2.gz IXBOXLFIRMBOGI-GOSISDBHSA-N 2 2 366.469 0.974 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000536871299 490618698 /nfs/dbraw/zinc/61/86/98/490618698.db2.gz OSPJDQCFOKYWOC-KCQAQPDRSA-N 2 2 368.503 0.994 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000536871299 490618705 /nfs/dbraw/zinc/61/87/05/490618705.db2.gz OSPJDQCFOKYWOC-KCQAQPDRSA-N 2 2 368.503 0.994 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000536871303 490619196 /nfs/dbraw/zinc/61/91/96/490619196.db2.gz OSPJDQCFOKYWOC-VNHYZAJKSA-N 2 2 368.503 0.994 20 0 FCADLP CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000536871303 490619204 /nfs/dbraw/zinc/61/92/04/490619204.db2.gz OSPJDQCFOKYWOC-VNHYZAJKSA-N 2 2 368.503 0.994 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000486401228 490619109 /nfs/dbraw/zinc/61/91/09/490619109.db2.gz WVVBXDMAZWDHFI-AOIWGVFYSA-N 2 2 361.486 0.768 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000486401228 490619120 /nfs/dbraw/zinc/61/91/20/490619120.db2.gz WVVBXDMAZWDHFI-AOIWGVFYSA-N 2 2 361.486 0.768 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486453378 490628055 /nfs/dbraw/zinc/62/80/55/490628055.db2.gz FSEXNBOYABIPLH-HNNXBMFYSA-N 2 2 359.430 0.231 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC(=O)Nc1ccccc1 ZINC000486453378 490628063 /nfs/dbraw/zinc/62/80/63/490628063.db2.gz FSEXNBOYABIPLH-HNNXBMFYSA-N 2 2 359.430 0.231 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000550125320 490628825 /nfs/dbraw/zinc/62/88/25/490628825.db2.gz WNZGODXIRRPBPB-CQSZACIVSA-N 2 2 355.442 0.814 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550125320 490628827 /nfs/dbraw/zinc/62/88/27/490628827.db2.gz WNZGODXIRRPBPB-CQSZACIVSA-N 2 2 355.442 0.814 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454856 490630751 /nfs/dbraw/zinc/63/07/51/490630751.db2.gz AWYVQHAMMBBBRK-UKRRQHHQSA-N 2 2 374.441 0.639 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486454856 490630757 /nfs/dbraw/zinc/63/07/57/490630757.db2.gz AWYVQHAMMBBBRK-UKRRQHHQSA-N 2 2 374.441 0.639 20 0 FCADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460244 490633166 /nfs/dbraw/zinc/63/31/66/490633166.db2.gz MIFICLOPQKUPAS-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486460244 490633175 /nfs/dbraw/zinc/63/31/75/490633175.db2.gz MIFICLOPQKUPAS-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486465799 490634810 /nfs/dbraw/zinc/63/48/10/490634810.db2.gz XMTSWRWKAYXFNM-INIZCTEOSA-N 2 2 360.458 0.920 20 0 FCADLP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486465799 490634816 /nfs/dbraw/zinc/63/48/16/490634816.db2.gz XMTSWRWKAYXFNM-INIZCTEOSA-N 2 2 360.458 0.920 20 0 FCADLP CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486463300 490635364 /nfs/dbraw/zinc/63/53/64/490635364.db2.gz STNWBJKIIUGITF-CYBMUJFWSA-N 2 2 365.503 0.849 20 0 FCADLP CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)sc1C ZINC000486463300 490635372 /nfs/dbraw/zinc/63/53/72/490635372.db2.gz STNWBJKIIUGITF-CYBMUJFWSA-N 2 2 365.503 0.849 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000537026491 490640172 /nfs/dbraw/zinc/64/01/72/490640172.db2.gz IXYAOXMNXNUJTL-ARFHVFGLSA-N 2 2 370.494 0.374 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000537026491 490640178 /nfs/dbraw/zinc/64/01/78/490640178.db2.gz IXYAOXMNXNUJTL-ARFHVFGLSA-N 2 2 370.494 0.374 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCOCC3)CCN2C1=O ZINC000572060676 491346521 /nfs/dbraw/zinc/34/65/21/491346521.db2.gz RVNGTURSHONWLA-JKSUJKDBSA-N 2 2 373.457 0.295 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000537083488 490646103 /nfs/dbraw/zinc/64/61/03/490646103.db2.gz VDFSFBNDOLXFCE-CQSZACIVSA-N 2 2 373.461 0.880 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359971 490665103 /nfs/dbraw/zinc/66/51/03/490665103.db2.gz OYACDYBGKVJUNT-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000550359971 490665107 /nfs/dbraw/zinc/66/51/07/490665107.db2.gz OYACDYBGKVJUNT-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000550365815 490666101 /nfs/dbraw/zinc/66/61/01/490666101.db2.gz FPHFRQWLXKALTN-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000550365003 490666405 /nfs/dbraw/zinc/66/64/05/490666405.db2.gz PPZJIAXBHISOBC-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP Cc1ccc([C@H](CNC(=O)C(=O)NCCn2cc[nH+]c2)[NH+]2CCCC2)o1 ZINC000550422502 490666992 /nfs/dbraw/zinc/66/69/92/490666992.db2.gz MAZKFXQAJXLYSM-HNNXBMFYSA-N 2 2 359.430 0.854 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000572028853 491344177 /nfs/dbraw/zinc/34/41/77/491344177.db2.gz IIUZKMUBOZZMND-RVKKMQEKSA-N 2 2 370.515 0.791 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000572028853 491344178 /nfs/dbraw/zinc/34/41/78/491344178.db2.gz IIUZKMUBOZZMND-RVKKMQEKSA-N 2 2 370.515 0.791 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000550494470 490674549 /nfs/dbraw/zinc/67/45/49/490674549.db2.gz FTWOPVZDRUPHHQ-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000550494470 490674551 /nfs/dbraw/zinc/67/45/51/490674551.db2.gz FTWOPVZDRUPHHQ-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000572048243 491345524 /nfs/dbraw/zinc/34/55/24/491345524.db2.gz GRIYGJAYIQOCDF-MRXNPFEDSA-N 2 2 374.489 0.187 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000572048243 491345525 /nfs/dbraw/zinc/34/55/25/491345525.db2.gz GRIYGJAYIQOCDF-MRXNPFEDSA-N 2 2 374.489 0.187 20 0 FCADLP C[NH+](C)CCOc1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccn1 ZINC000512538247 490687239 /nfs/dbraw/zinc/68/72/39/490687239.db2.gz FQDQBNXFEUDLAM-UHFFFAOYSA-N 2 2 358.446 0.703 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000527003271 490691593 /nfs/dbraw/zinc/69/15/93/490691593.db2.gz BZJAFIJUMLBCGD-SFHVURJKSA-N 2 2 371.485 0.758 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991240 491346823 /nfs/dbraw/zinc/34/68/23/491346823.db2.gz XZWHTUZLAHLMTM-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991240 491346825 /nfs/dbraw/zinc/34/68/25/491346825.db2.gz XZWHTUZLAHLMTM-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000556991240 491346827 /nfs/dbraw/zinc/34/68/27/491346827.db2.gz XZWHTUZLAHLMTM-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000556991240 491346830 /nfs/dbraw/zinc/34/68/30/491346830.db2.gz XZWHTUZLAHLMTM-RDJZCZTQSA-N 2 2 367.490 0.631 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512851741 490701922 /nfs/dbraw/zinc/70/19/22/490701922.db2.gz KTVKDPPKEITGJZ-UHFFFAOYSA-N 2 2 355.527 0.112 20 0 FCADLP Cc1nc(CC[NH+](C)CC2(C[N@H+](C)CCc3noc(C)n3)COC2)no1 ZINC000513201810 490713477 /nfs/dbraw/zinc/71/34/77/490713477.db2.gz QZRSJNVHRXEANK-UHFFFAOYSA-N 2 2 364.450 0.735 20 0 FCADLP Cc1nc(CC[NH+](C)CC2(C[N@@H+](C)CCc3noc(C)n3)COC2)no1 ZINC000513201810 490713481 /nfs/dbraw/zinc/71/34/81/490713481.db2.gz QZRSJNVHRXEANK-UHFFFAOYSA-N 2 2 364.450 0.735 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305413 490715465 /nfs/dbraw/zinc/71/54/65/490715465.db2.gz DNQSWPRWCCPUFU-HBFSDRIKSA-N 2 2 370.497 0.917 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305413 490715470 /nfs/dbraw/zinc/71/54/70/490715470.db2.gz DNQSWPRWCCPUFU-HBFSDRIKSA-N 2 2 370.497 0.917 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000572112259 491349160 /nfs/dbraw/zinc/34/91/60/491349160.db2.gz ZRHCVIKWZFWLPT-KKBVYLPWSA-N 2 2 351.472 0.576 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538228261 490720860 /nfs/dbraw/zinc/72/08/60/490720860.db2.gz QXCSUODDRMZSPW-CVEARBPZSA-N 2 2 353.511 0.840 20 0 FCADLP CN(C(=O)CCNC(N)=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538228261 490720863 /nfs/dbraw/zinc/72/08/63/490720863.db2.gz QXCSUODDRMZSPW-CVEARBPZSA-N 2 2 353.511 0.840 20 0 FCADLP CCS(=O)(=O)C[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000502810059 490722517 /nfs/dbraw/zinc/72/25/17/490722517.db2.gz DZQFWKXHQSLLPI-AWEZNQCLSA-N 2 2 374.551 0.667 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000502851436 490725121 /nfs/dbraw/zinc/72/51/21/490725121.db2.gz MEVWWUYELVILRP-QZTJIDSGSA-N 2 2 358.486 0.835 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538349305 490727457 /nfs/dbraw/zinc/72/74/57/490727457.db2.gz UVQZFVHILJXFCN-OKZBNKHCSA-N 2 2 368.522 0.008 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000538349305 490727459 /nfs/dbraw/zinc/72/74/59/490727459.db2.gz UVQZFVHILJXFCN-OKZBNKHCSA-N 2 2 368.522 0.008 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000513465721 490731242 /nfs/dbraw/zinc/73/12/42/490731242.db2.gz UOGZNMZWUHBLIO-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CO[C@H]1C[NH+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@@H]1OC ZINC000488035520 490742676 /nfs/dbraw/zinc/74/26/76/490742676.db2.gz OEHPYJDWOOLBMR-OALUTQOASA-N 2 2 361.486 0.985 20 0 FCADLP C[C@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000538839707 490754079 /nfs/dbraw/zinc/75/40/79/490754079.db2.gz TZHOVNZDTDUJBO-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP O=C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565093467 491352606 /nfs/dbraw/zinc/35/26/06/491352606.db2.gz RSCIPIYDQIVUTF-MOPGFXCFSA-N 2 2 374.485 0.520 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CSCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC[NH+]1C ZINC000538922239 490757462 /nfs/dbraw/zinc/75/74/62/490757462.db2.gz NXIQGQWGTIYAMZ-WCVJEAGWSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1[C@H](C)N(C(=O)CSCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC[NH+]1C ZINC000538922239 490757466 /nfs/dbraw/zinc/75/74/66/490757466.db2.gz NXIQGQWGTIYAMZ-WCVJEAGWSA-N 2 2 370.563 0.822 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@H+](CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503473791 490758555 /nfs/dbraw/zinc/75/85/55/490758555.db2.gz OKQXDSDPRXHNIV-MRXNPFEDSA-N 2 2 359.536 0.828 20 0 FCADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000503473791 490758558 /nfs/dbraw/zinc/75/85/58/490758558.db2.gz OKQXDSDPRXHNIV-MRXNPFEDSA-N 2 2 359.536 0.828 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000572155939 491352853 /nfs/dbraw/zinc/35/28/53/491352853.db2.gz XVDXEMOSZNLORA-HOCLYGCPSA-N 2 2 363.462 0.422 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000572155939 491352856 /nfs/dbraw/zinc/35/28/56/491352856.db2.gz XVDXEMOSZNLORA-HOCLYGCPSA-N 2 2 363.462 0.422 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3Cc4ccccc4NC3=O)cn2)CC1 ZINC000527800460 490760654 /nfs/dbraw/zinc/76/06/54/490760654.db2.gz NTEIHGZWADGLTA-QGZVFWFLSA-N 2 2 352.442 0.881 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000539228966 490771913 /nfs/dbraw/zinc/77/19/13/490771913.db2.gz LGPPBFCVOTVMAB-CVEARBPZSA-N 2 2 370.494 0.234 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000539228966 490771914 /nfs/dbraw/zinc/77/19/14/490771914.db2.gz LGPPBFCVOTVMAB-CVEARBPZSA-N 2 2 370.494 0.234 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000539228978 490771960 /nfs/dbraw/zinc/77/19/60/490771960.db2.gz LGPPBFCVOTVMAB-JKSUJKDBSA-N 2 2 370.494 0.234 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000539228978 490771963 /nfs/dbraw/zinc/77/19/63/490771963.db2.gz LGPPBFCVOTVMAB-JKSUJKDBSA-N 2 2 370.494 0.234 20 0 FCADLP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748660 490773637 /nfs/dbraw/zinc/77/36/37/490773637.db2.gz QMDCZDHUOPBPFU-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000488748660 490773641 /nfs/dbraw/zinc/77/36/41/490773641.db2.gz QMDCZDHUOPBPFU-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1)N1CCCC1 ZINC000539426219 490783205 /nfs/dbraw/zinc/78/32/05/490783205.db2.gz ONKUHLZSEBIGMN-HNNXBMFYSA-N 2 2 359.474 0.986 20 0 FCADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1)N1CCCC1 ZINC000539426219 490783207 /nfs/dbraw/zinc/78/32/07/490783207.db2.gz ONKUHLZSEBIGMN-HNNXBMFYSA-N 2 2 359.474 0.986 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000557132919 491356119 /nfs/dbraw/zinc/35/61/19/491356119.db2.gz HIYXCDWKEBRHKQ-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000557132919 491356120 /nfs/dbraw/zinc/35/61/20/491356120.db2.gz HIYXCDWKEBRHKQ-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000557132919 491356121 /nfs/dbraw/zinc/35/61/21/491356121.db2.gz HIYXCDWKEBRHKQ-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000557132919 491356122 /nfs/dbraw/zinc/35/61/22/491356122.db2.gz HIYXCDWKEBRHKQ-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000514861936 490793836 /nfs/dbraw/zinc/79/38/36/490793836.db2.gz YMWBBCMRWGVMHD-HXUWFJFHSA-N 2 2 356.470 0.543 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154449 491356952 /nfs/dbraw/zinc/35/69/52/491356952.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 3 2 359.518 0.835 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154449 491356953 /nfs/dbraw/zinc/35/69/53/491356953.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154449 491356954 /nfs/dbraw/zinc/35/69/54/491356954.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000557154449 491356956 /nfs/dbraw/zinc/35/69/56/491356956.db2.gz KNFZCQGINFDMGE-OALUTQOASA-N 3 2 359.518 0.835 20 0 FCADLP CNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000528622076 490814230 /nfs/dbraw/zinc/81/42/30/490814230.db2.gz ORLPTIBAXUDUFN-GOSISDBHSA-N 2 2 362.474 0.649 20 0 FCADLP CNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000528622076 490814234 /nfs/dbraw/zinc/81/42/34/490814234.db2.gz ORLPTIBAXUDUFN-GOSISDBHSA-N 2 2 362.474 0.649 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)CC[NH+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322859 490817410 /nfs/dbraw/zinc/81/74/10/490817410.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN(C)CC[NH+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322859 490817412 /nfs/dbraw/zinc/81/74/12/490817412.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322859 490817416 /nfs/dbraw/zinc/81/74/16/490817416.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 3 2 356.555 0.414 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000540322859 490817417 /nfs/dbraw/zinc/81/74/17/490817417.db2.gz ZLDHBDILOZTPKJ-SCTDSRPQSA-N 3 2 356.555 0.414 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000528680282 490818617 /nfs/dbraw/zinc/81/86/17/490818617.db2.gz MYWHFUFXSAQUAV-HNNXBMFYSA-N 2 2 350.467 0.677 20 0 FCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000557183069 491358181 /nfs/dbraw/zinc/35/81/81/491358181.db2.gz FFKYFHCKSVTWDS-IAGOWNOFSA-N 2 2 362.474 0.947 20 0 FCADLP CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000528733897 490825144 /nfs/dbraw/zinc/82/51/44/490825144.db2.gz IOPFZLPKSOCZKD-UHFFFAOYSA-N 2 2 356.430 0.438 20 0 FCADLP CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000528733897 490825147 /nfs/dbraw/zinc/82/51/47/490825147.db2.gz IOPFZLPKSOCZKD-UHFFFAOYSA-N 2 2 356.430 0.438 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000557182746 491358308 /nfs/dbraw/zinc/35/83/08/491358308.db2.gz GFFIYBIURLXGFG-ZDUSSCGKSA-N 2 2 370.379 0.970 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000515433794 490826302 /nfs/dbraw/zinc/82/63/02/490826302.db2.gz ACZZPTVHOLARHB-WMZOPIPTSA-N 2 2 374.485 0.376 20 0 FCADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000515433794 490826304 /nfs/dbraw/zinc/82/63/04/490826304.db2.gz ACZZPTVHOLARHB-WMZOPIPTSA-N 2 2 374.485 0.376 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](c3[nH+]ccn3C)C1)CC[NH2+]CC2 ZINC000515637697 490834107 /nfs/dbraw/zinc/83/41/07/490834107.db2.gz SLFRRUAQTZRFJU-CABCVRRESA-N 2 2 359.474 0.727 20 0 FCADLP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1=O ZINC000565214021 491361076 /nfs/dbraw/zinc/36/10/76/491361076.db2.gz OYKGHJTZUOUZGZ-INIZCTEOSA-N 2 2 373.457 0.552 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1=O ZINC000565214021 491361077 /nfs/dbraw/zinc/36/10/77/491361077.db2.gz OYKGHJTZUOUZGZ-INIZCTEOSA-N 2 2 373.457 0.552 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1)[NH+]1CCSCC1 ZINC000516109450 490851303 /nfs/dbraw/zinc/85/13/03/490851303.db2.gz HUDPIVAHESMUKR-HIFRSBDPSA-N 2 2 354.520 0.235 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529321444 490851535 /nfs/dbraw/zinc/85/15/35/490851535.db2.gz ILFATRAULQIUIU-QGZVFWFLSA-N 2 2 366.506 0.651 20 0 FCADLP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000541258259 490856712 /nfs/dbraw/zinc/85/67/12/490856712.db2.gz PMPZCBWNGYNPAO-WBVHZDCISA-N 2 2 362.474 0.544 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000516432947 490863365 /nfs/dbraw/zinc/86/33/65/490863365.db2.gz UBRWPRQKDPGNNO-DLBZAZTESA-N 2 2 365.522 0.714 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C[NH3+])C1 ZINC000516553952 490867582 /nfs/dbraw/zinc/86/75/82/490867582.db2.gz AHUIVYUIMVTVMH-GXTWGEPZSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C[NH3+])C1 ZINC000516553952 490867584 /nfs/dbraw/zinc/86/75/84/490867584.db2.gz AHUIVYUIMVTVMH-GXTWGEPZSA-N 2 2 365.865 0.730 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000557252238 491362634 /nfs/dbraw/zinc/36/26/34/491362634.db2.gz OBODHWNODRITKV-OAHLLOKOSA-N 2 2 364.494 0.463 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000557252238 491362636 /nfs/dbraw/zinc/36/26/36/491362636.db2.gz OBODHWNODRITKV-OAHLLOKOSA-N 2 2 364.494 0.463 20 0 FCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000516563514 490868480 /nfs/dbraw/zinc/86/84/80/490868480.db2.gz JXEXEAIPQFCFNZ-HZPDHXFCSA-N 2 2 365.478 0.269 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660097 490873405 /nfs/dbraw/zinc/87/34/05/490873405.db2.gz KSVYRHAJXLQSSD-ZBFHGGJFSA-N 2 2 373.519 0.527 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000516660097 490873406 /nfs/dbraw/zinc/87/34/06/490873406.db2.gz KSVYRHAJXLQSSD-ZBFHGGJFSA-N 2 2 373.519 0.527 20 0 FCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1N1CCCC1=O ZINC000516743561 490876507 /nfs/dbraw/zinc/87/65/07/490876507.db2.gz UOMOMNUEJGMJSY-CQSZACIVSA-N 2 2 361.446 0.929 20 0 FCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1N1CCCC1=O ZINC000516743561 490876508 /nfs/dbraw/zinc/87/65/08/490876508.db2.gz UOMOMNUEJGMJSY-CQSZACIVSA-N 2 2 361.446 0.929 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)n1C ZINC000572269133 491359481 /nfs/dbraw/zinc/35/94/81/491359481.db2.gz FCADOCJCNFXTDO-CQSZACIVSA-N 2 2 364.494 0.339 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)n1C ZINC000572269133 491359484 /nfs/dbraw/zinc/35/94/84/491359484.db2.gz FCADOCJCNFXTDO-CQSZACIVSA-N 2 2 364.494 0.339 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123387 490886616 /nfs/dbraw/zinc/88/66/16/490886616.db2.gz OWRFDVMBQFQAFY-LSDHHAIUSA-N 2 2 362.478 0.647 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542123387 490886618 /nfs/dbraw/zinc/88/66/18/490886618.db2.gz OWRFDVMBQFQAFY-LSDHHAIUSA-N 2 2 362.478 0.647 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000542761788 490907395 /nfs/dbraw/zinc/90/73/95/490907395.db2.gz UMSGJISFJSWWCN-JKSUJKDBSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000542761788 490907397 /nfs/dbraw/zinc/90/73/97/490907397.db2.gz UMSGJISFJSWWCN-JKSUJKDBSA-N 2 2 374.551 0.621 20 0 FCADLP FC(F)(F)c1cc(NCCn2cc[nH+]c2)nc(NCCn2cc[nH+]c2)n1 ZINC000542765382 490907509 /nfs/dbraw/zinc/90/75/09/490907509.db2.gz UXIJIKGMTPXTED-UHFFFAOYSA-N 2 2 366.351 0.956 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000557265323 491363989 /nfs/dbraw/zinc/36/39/89/491363989.db2.gz ZAWTXIIOYNVEEP-XIRDDKMYSA-N 2 2 366.506 0.332 20 0 FCADLP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000517575655 490913084 /nfs/dbraw/zinc/91/30/84/490913084.db2.gz BTVYQKRTPRPKFF-IXDOHACOSA-N 2 2 356.511 0.488 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000530648449 490917052 /nfs/dbraw/zinc/91/70/52/490917052.db2.gz JGIUCNPSXCOEKC-QGZVFWFLSA-N 2 2 373.501 0.702 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000530648449 490917056 /nfs/dbraw/zinc/91/70/56/490917056.db2.gz JGIUCNPSXCOEKC-QGZVFWFLSA-N 2 2 373.501 0.702 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCSC1 ZINC000530656205 490918087 /nfs/dbraw/zinc/91/80/87/490918087.db2.gz QTOQYCPASUXKQU-MRXNPFEDSA-N 2 2 352.508 0.674 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@]34CCNC4=O)CC2)c1 ZINC000517755230 490919774 /nfs/dbraw/zinc/91/97/74/490919774.db2.gz RUJJYYKQFOJCMC-OAQYLSRUSA-N 2 2 370.497 0.994 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@]34CCNC4=O)CC2)c1 ZINC000517755230 490919778 /nfs/dbraw/zinc/91/97/78/490919778.db2.gz RUJJYYKQFOJCMC-OAQYLSRUSA-N 2 2 370.497 0.994 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000517766892 490920730 /nfs/dbraw/zinc/92/07/30/490920730.db2.gz JHZRBOVIRYLZST-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180287 490923888 /nfs/dbraw/zinc/92/38/88/490923888.db2.gz ORNHDWYMGPMOBA-SLFFLAALSA-N 2 2 373.497 0.838 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180287 490923892 /nfs/dbraw/zinc/92/38/92/490923892.db2.gz ORNHDWYMGPMOBA-SLFFLAALSA-N 2 2 373.497 0.838 20 0 FCADLP CC(C)[NH2+]CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000517965479 490926657 /nfs/dbraw/zinc/92/66/57/490926657.db2.gz NIMTZRQZQZNJPY-OAHLLOKOSA-N 2 2 362.478 0.396 20 0 FCADLP CC(C)[NH2+]CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000517965479 490926659 /nfs/dbraw/zinc/92/66/59/490926659.db2.gz NIMTZRQZQZNJPY-OAHLLOKOSA-N 2 2 362.478 0.396 20 0 FCADLP Cn1[nH]c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1=O ZINC000543435569 490933054 /nfs/dbraw/zinc/93/30/54/490933054.db2.gz ZSUYTHSMLACCGJ-UHFFFAOYSA-N 3 2 350.511 0.737 20 0 FCADLP Cn1[nH]c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1=O ZINC000543435569 490933056 /nfs/dbraw/zinc/93/30/56/490933056.db2.gz ZSUYTHSMLACCGJ-UHFFFAOYSA-N 3 2 350.511 0.737 20 0 FCADLP Cn1[nH]c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1=O ZINC000543435569 490933058 /nfs/dbraw/zinc/93/30/58/490933058.db2.gz ZSUYTHSMLACCGJ-UHFFFAOYSA-N 2 2 350.511 0.737 20 0 FCADLP Cn1[nH]c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1=O ZINC000543435569 490933060 /nfs/dbraw/zinc/93/30/60/490933060.db2.gz ZSUYTHSMLACCGJ-UHFFFAOYSA-N 2 2 350.511 0.737 20 0 FCADLP CCOc1ccnc(N2CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)CC2)n1 ZINC000518214056 490933456 /nfs/dbraw/zinc/93/34/56/490933456.db2.gz YMVJFWYASAXSGP-INIZCTEOSA-N 2 2 367.494 0.327 20 0 FCADLP CCOc1ccnc(N2CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC2)n1 ZINC000518214056 490933460 /nfs/dbraw/zinc/93/34/60/490933460.db2.gz YMVJFWYASAXSGP-INIZCTEOSA-N 2 2 367.494 0.327 20 0 FCADLP CCOc1ccnc(N2CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC2)n1 ZINC000518214056 490933463 /nfs/dbraw/zinc/93/34/63/490933463.db2.gz YMVJFWYASAXSGP-INIZCTEOSA-N 2 2 367.494 0.327 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 ZINC000531131524 490942197 /nfs/dbraw/zinc/94/21/97/490942197.db2.gz FITXWHDCULXIFJ-KRWDZBQOSA-N 2 2 361.490 0.928 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)N2CCC(CC[NH3+])CC2)CC(=O)N1C ZINC000572370491 491365727 /nfs/dbraw/zinc/36/57/27/491365727.db2.gz SSNIUIFJGHBYAU-GOEBONIOSA-N 2 2 362.478 0.710 20 0 FCADLP CC(C)(O)C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000531177703 490944443 /nfs/dbraw/zinc/94/44/43/490944443.db2.gz PCUMEFMHUPVWNO-UHFFFAOYSA-N 2 2 371.522 0.465 20 0 FCADLP CC(C)(O)C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000531177703 490944444 /nfs/dbraw/zinc/94/44/44/490944444.db2.gz PCUMEFMHUPVWNO-UHFFFAOYSA-N 2 2 371.522 0.465 20 0 FCADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000557295926 491366000 /nfs/dbraw/zinc/36/60/00/491366000.db2.gz VPHWTRIPOABBKM-MHORFTMASA-N 2 2 363.506 0.814 20 0 FCADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)nn1 ZINC000557295926 491366002 /nfs/dbraw/zinc/36/60/02/491366002.db2.gz VPHWTRIPOABBKM-MHORFTMASA-N 2 2 363.506 0.814 20 0 FCADLP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(F)F ZINC000518777230 490951081 /nfs/dbraw/zinc/95/10/81/490951081.db2.gz WTBWBZBTJMAQHH-GJZGRUSLSA-N 3 2 351.401 0.900 20 0 FCADLP CN1CCC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000531364873 490953949 /nfs/dbraw/zinc/95/39/49/490953949.db2.gz BISQOZFGTWNWBQ-INIZCTEOSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000572384741 491366761 /nfs/dbraw/zinc/36/67/61/491366761.db2.gz MIUIDMNDTWRSAV-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000572384741 491366762 /nfs/dbraw/zinc/36/67/62/491366762.db2.gz MIUIDMNDTWRSAV-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP O=C1C[C@@H]([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000544382067 490967069 /nfs/dbraw/zinc/96/70/69/490967069.db2.gz NQUWCOMHEDDFSD-CRAIPNDOSA-N 2 2 372.469 0.983 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531678357 490970383 /nfs/dbraw/zinc/97/03/83/490970383.db2.gz CEWYLYOEDVGQES-BRWVUGGUSA-N 2 2 353.511 0.175 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531678357 490970385 /nfs/dbraw/zinc/97/03/85/490970385.db2.gz CEWYLYOEDVGQES-BRWVUGGUSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H](C)C[NH2+]1 ZINC000519407319 490971349 /nfs/dbraw/zinc/97/13/49/490971349.db2.gz GHUXRXINHIXANN-IRXDYDNUSA-N 2 2 372.513 0.948 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000519407317 490971377 /nfs/dbraw/zinc/97/13/77/490971377.db2.gz GHUXRXINHIXANN-DLBZAZTESA-N 2 2 372.513 0.948 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000519432498 490972176 /nfs/dbraw/zinc/97/21/76/490972176.db2.gz RYQKVEKLWXBXSB-HOTGVXAUSA-N 2 2 355.442 0.733 20 0 FCADLP CN(Cc1nnnn1C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000532063918 490984953 /nfs/dbraw/zinc/98/49/53/490984953.db2.gz DOEZBFAYOZSJRW-UHFFFAOYSA-N 2 2 364.498 0.302 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC)cc1 ZINC000519702835 490985162 /nfs/dbraw/zinc/98/51/62/490985162.db2.gz GZSZZHQABQRVHW-HIFRSBDPSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC)cc1 ZINC000519702835 490985164 /nfs/dbraw/zinc/98/51/64/490985164.db2.gz GZSZZHQABQRVHW-HIFRSBDPSA-N 2 2 359.492 0.184 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000545146439 490988140 /nfs/dbraw/zinc/98/81/40/490988140.db2.gz FPVMHIQVGYGFKA-GOSISDBHSA-N 2 2 357.414 0.208 20 0 FCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000545146439 490988143 /nfs/dbraw/zinc/98/81/43/490988143.db2.gz FPVMHIQVGYGFKA-GOSISDBHSA-N 2 2 357.414 0.208 20 0 FCADLP Cc1ccnc2nc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nn21 ZINC000601477472 491926003 /nfs/dbraw/zinc/92/60/03/491926003.db2.gz GHNDPQSHIBGLME-HNNXBMFYSA-N 2 2 357.462 0.673 20 0 FCADLP Cc1ccnc2nc(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nn21 ZINC000601477472 491926004 /nfs/dbraw/zinc/92/60/04/491926004.db2.gz GHNDPQSHIBGLME-HNNXBMFYSA-N 2 2 357.462 0.673 20 0 FCADLP CN(C(=O)c1ccc(-n2ccnc2)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478317 491926059 /nfs/dbraw/zinc/92/60/59/491926059.db2.gz CEBWHUGPUZPYJP-MRXNPFEDSA-N 2 2 369.473 0.903 20 0 FCADLP CN(C(=O)c1ccc(-n2ccnc2)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478317 491926060 /nfs/dbraw/zinc/92/60/60/491926060.db2.gz CEBWHUGPUZPYJP-MRXNPFEDSA-N 2 2 369.473 0.903 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)Nc3ccon3)CC2)CC1 ZINC000595588487 491943986 /nfs/dbraw/zinc/94/39/86/491943986.db2.gz GDDWCJFZRPVVIP-UHFFFAOYSA-N 2 2 363.462 0.879 20 0 FCADLP COC(=O)[C@@]1(C)CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000602286049 491976528 /nfs/dbraw/zinc/97/65/28/491976528.db2.gz CCGSQMKMWPMAJX-KSSFIOAISA-N 2 2 354.495 0.853 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673494261 493335611 /nfs/dbraw/zinc/33/56/11/493335611.db2.gz WMFCUHQPGRILIF-GDBMZVCRSA-N 2 2 368.547 0.483 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673494261 493335613 /nfs/dbraw/zinc/33/56/13/493335613.db2.gz WMFCUHQPGRILIF-GDBMZVCRSA-N 2 2 368.547 0.483 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000569713555 491184644 /nfs/dbraw/zinc/18/46/44/491184644.db2.gz UPYZMRIIFVNORA-HKUYNNGSSA-N 2 2 370.497 0.707 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720900 491185722 /nfs/dbraw/zinc/18/57/22/491185722.db2.gz UOMMUBDEGKHVCZ-HOCLYGCPSA-N 2 2 367.519 0.396 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)C1 ZINC000569720900 491185724 /nfs/dbraw/zinc/18/57/24/491185724.db2.gz UOMMUBDEGKHVCZ-HOCLYGCPSA-N 2 2 367.519 0.396 20 0 FCADLP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000562754257 491186729 /nfs/dbraw/zinc/18/67/29/491186729.db2.gz XVLVEKNBDSREMB-INIZCTEOSA-N 2 2 372.469 0.594 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000562766909 491187398 /nfs/dbraw/zinc/18/73/98/491187398.db2.gz WOZBZARTDWOCKG-LBPRGKRZSA-N 2 2 369.416 0.908 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000562766909 491187401 /nfs/dbraw/zinc/18/74/01/491187401.db2.gz WOZBZARTDWOCKG-LBPRGKRZSA-N 2 2 369.416 0.908 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC000554253988 491188919 /nfs/dbraw/zinc/18/89/19/491188919.db2.gz NQVZWXPSUXKRTN-GOSISDBHSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC000554253988 491188923 /nfs/dbraw/zinc/18/89/23/491188923.db2.gz NQVZWXPSUXKRTN-GOSISDBHSA-N 2 2 354.495 0.156 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000557345848 491369140 /nfs/dbraw/zinc/36/91/40/491369140.db2.gz SCXFURPSSGMKMG-UONOGXRCSA-N 2 2 359.434 0.016 20 0 FCADLP COC(=O)CCCc1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)no1 ZINC000572483552 491373051 /nfs/dbraw/zinc/37/30/51/491373051.db2.gz DPMOVUJPDJRIJI-DYVFJYSZSA-N 2 2 352.435 0.894 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557430972 491374770 /nfs/dbraw/zinc/37/47/70/491374770.db2.gz LFZOKFZKAMMFQK-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557430972 491374771 /nfs/dbraw/zinc/37/47/71/491374771.db2.gz LFZOKFZKAMMFQK-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000572668400 491385595 /nfs/dbraw/zinc/38/55/95/491385595.db2.gz GZJPAQHUYLJPIP-CYBMUJFWSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000572668400 491385599 /nfs/dbraw/zinc/38/55/99/491385599.db2.gz GZJPAQHUYLJPIP-CYBMUJFWSA-N 2 2 357.462 0.742 20 0 FCADLP CCNc1nc(NC[C@H](C)C[NH+]2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000557589153 491385888 /nfs/dbraw/zinc/38/58/88/491385888.db2.gz WAUCKNSYJFDHRF-ZDUSSCGKSA-N 2 2 351.499 0.738 20 0 FCADLP COCCC(=O)N1CCC([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565594748 491387519 /nfs/dbraw/zinc/38/75/19/491387519.db2.gz WTQSPAODQGKDHL-UXLLHSPISA-N 2 2 357.495 0.074 20 0 FCADLP COCCC(=O)N1CCC([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565594748 491387520 /nfs/dbraw/zinc/38/75/20/491387520.db2.gz WTQSPAODQGKDHL-UXLLHSPISA-N 2 2 357.495 0.074 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000557702795 491391955 /nfs/dbraw/zinc/39/19/55/491391955.db2.gz BRPQSQVSRORHKR-CABCVRRESA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000557706590 491393006 /nfs/dbraw/zinc/39/30/06/491393006.db2.gz LBMPZYZESHTCKV-VQHPVUNQSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000557706590 491393008 /nfs/dbraw/zinc/39/30/08/491393008.db2.gz LBMPZYZESHTCKV-VQHPVUNQSA-N 2 2 368.522 0.543 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+]2CCOCC2)s1 ZINC000565706160 491394220 /nfs/dbraw/zinc/39/42/20/491394220.db2.gz WWJKOQIYCBZHMR-CTASWTNQSA-N 2 2 350.488 0.947 20 0 FCADLP CN1C[C@H]([NH+](C)CC2(C[N@@H+](C)[C@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725562 491395834 /nfs/dbraw/zinc/39/58/34/491395834.db2.gz ZXKCTORUWLPRPD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP CN1C[C@H]([NH+](C)CC2(C[N@H+](C)[C@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725562 491395837 /nfs/dbraw/zinc/39/58/37/491395837.db2.gz ZXKCTORUWLPRPD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP CN1C[C@H]([N@@H+](C)CC2(C[NH+](C)[C@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725562 491395838 /nfs/dbraw/zinc/39/58/38/491395838.db2.gz ZXKCTORUWLPRPD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP CN1C[C@H]([N@H+](C)CC2(C[NH+](C)[C@H]3CCC(=O)N(C)C3)COC2)CCC1=O ZINC000565725562 491395841 /nfs/dbraw/zinc/39/58/41/491395841.db2.gz ZXKCTORUWLPRPD-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](C)[NH2+]C)c2)CC1 ZINC000572984999 491405696 /nfs/dbraw/zinc/40/56/96/491405696.db2.gz UVWYFWAQHNXBMK-ZDUSSCGKSA-N 2 2 354.476 0.559 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000565892798 491405767 /nfs/dbraw/zinc/40/57/67/491405767.db2.gz SQDLTYPFELXWMO-OSAQELSMSA-N 2 2 359.409 0.799 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000565892798 491405769 /nfs/dbraw/zinc/40/57/69/491405769.db2.gz SQDLTYPFELXWMO-OSAQELSMSA-N 2 2 359.409 0.799 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565903545 491406234 /nfs/dbraw/zinc/40/62/34/491406234.db2.gz JIVBGRVHTPYDDU-ZLDLUXBVSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565903545 491406237 /nfs/dbraw/zinc/40/62/37/491406237.db2.gz JIVBGRVHTPYDDU-ZLDLUXBVSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565903544 491406337 /nfs/dbraw/zinc/40/63/37/491406337.db2.gz JIVBGRVHTPYDDU-UXIGCNINSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565903544 491406340 /nfs/dbraw/zinc/40/63/40/491406340.db2.gz JIVBGRVHTPYDDU-UXIGCNINSA-N 2 2 350.850 0.589 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000573074993 491410502 /nfs/dbraw/zinc/41/05/02/491410502.db2.gz VXXSQNZVPJSXSV-TWMKSMIVSA-N 2 2 366.506 0.189 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000573075011 491410752 /nfs/dbraw/zinc/41/07/52/491410752.db2.gz SBTMXHNQGGLWPO-SOUVJXGZSA-N 2 2 369.510 0.863 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000573075011 491410754 /nfs/dbraw/zinc/41/07/54/491410754.db2.gz SBTMXHNQGGLWPO-SOUVJXGZSA-N 2 2 369.510 0.863 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CCOCC1 ZINC000566018409 491413158 /nfs/dbraw/zinc/41/31/58/491413158.db2.gz CSUXDCDGVQPPQG-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CCOCC1 ZINC000566018409 491413159 /nfs/dbraw/zinc/41/31/59/491413159.db2.gz CSUXDCDGVQPPQG-KSZLIROESA-N 2 2 352.523 0.724 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H](C)[NH2+]1 ZINC000566090210 491416514 /nfs/dbraw/zinc/41/65/14/491416514.db2.gz OKVDDQVDOGOUPH-KBPBESRZSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000566090226 491416652 /nfs/dbraw/zinc/41/66/52/491416652.db2.gz RKIKNKYNSUWTSV-KRWDZBQOSA-N 2 2 350.488 0.590 20 0 FCADLP COCC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000573225501 491420999 /nfs/dbraw/zinc/42/09/99/491420999.db2.gz QSVORJOLEQGUPS-INIZCTEOSA-N 2 2 354.495 0.509 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558235443 491421906 /nfs/dbraw/zinc/42/19/06/491421906.db2.gz FTJNQUPZKNTUGI-IXDOHACOSA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000558235443 491421908 /nfs/dbraw/zinc/42/19/08/491421908.db2.gz FTJNQUPZKNTUGI-IXDOHACOSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000566179595 491423425 /nfs/dbraw/zinc/42/34/25/491423425.db2.gz QGGOWSUVMLKRCV-HUUCEWRRSA-N 2 2 362.449 0.698 20 0 FCADLP CC1CC[NH+](Cc2csc(NC(=O)Cn3nnnc3C[NH3+])n2)CC1 ZINC000566182165 491423714 /nfs/dbraw/zinc/42/37/14/491423714.db2.gz CGRAXUVWWZCXEI-UHFFFAOYSA-N 2 2 350.452 0.459 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)C1 ZINC000566193323 491424423 /nfs/dbraw/zinc/42/44/23/491424423.db2.gz AZPPJNLUFGYBKY-ZQDZILKHSA-N 2 2 353.442 0.168 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000573342725 491427768 /nfs/dbraw/zinc/42/77/68/491427768.db2.gz BOYJZRQPZODATC-OAHLLOKOSA-N 2 2 359.474 0.851 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000573342725 491427770 /nfs/dbraw/zinc/42/77/70/491427770.db2.gz BOYJZRQPZODATC-OAHLLOKOSA-N 2 2 359.474 0.851 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000566244162 491430202 /nfs/dbraw/zinc/43/02/02/491430202.db2.gz CWFOLWVCIRXCJG-USXIJHARSA-N 2 2 365.499 0.766 20 0 FCADLP CS(=O)(=O)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000566244162 491430203 /nfs/dbraw/zinc/43/02/03/491430203.db2.gz CWFOLWVCIRXCJG-USXIJHARSA-N 2 2 365.499 0.766 20 0 FCADLP COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000573425762 491432030 /nfs/dbraw/zinc/43/20/30/491432030.db2.gz AEEDUBYCXDYUNR-MRXNPFEDSA-N 2 2 369.487 0.426 20 0 FCADLP C[C@@]1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000573428385 491432449 /nfs/dbraw/zinc/43/24/49/491432449.db2.gz BYTQQDAWQJLTEU-GOSISDBHSA-N 2 2 361.494 0.288 20 0 FCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000573499672 491437186 /nfs/dbraw/zinc/43/71/86/491437186.db2.gz VKHDLXYNVCVGAJ-GOSISDBHSA-N 2 2 352.454 0.144 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000573499672 491437187 /nfs/dbraw/zinc/43/71/87/491437187.db2.gz VKHDLXYNVCVGAJ-GOSISDBHSA-N 2 2 352.454 0.144 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000573505620 491437755 /nfs/dbraw/zinc/43/77/55/491437755.db2.gz BEVUQXSXNWCBMN-RDJZCZTQSA-N 2 2 360.458 0.124 20 0 FCADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000573505620 491437756 /nfs/dbraw/zinc/43/77/56/491437756.db2.gz BEVUQXSXNWCBMN-RDJZCZTQSA-N 2 2 360.458 0.124 20 0 FCADLP CC1(C)[C@H]([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000566424246 491442735 /nfs/dbraw/zinc/44/27/35/491442735.db2.gz VXNKIWWMRQZSNL-MSOLQXFVSA-N 2 2 361.486 0.884 20 0 FCADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000558728668 491444446 /nfs/dbraw/zinc/44/44/46/491444446.db2.gz ZLOXBNKHSSCLRN-OAHLLOKOSA-N 2 2 352.479 0.445 20 0 FCADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000558728668 491444447 /nfs/dbraw/zinc/44/44/47/491444447.db2.gz ZLOXBNKHSSCLRN-OAHLLOKOSA-N 2 2 352.479 0.445 20 0 FCADLP CC(C)([NH3+])c1nocc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000566473650 491446765 /nfs/dbraw/zinc/44/67/65/491446765.db2.gz KEVACTCAMQOVFD-UHFFFAOYSA-N 2 2 363.462 0.639 20 0 FCADLP CC(C)([NH3+])c1nocc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000566473650 491446766 /nfs/dbraw/zinc/44/67/66/491446766.db2.gz KEVACTCAMQOVFD-UHFFFAOYSA-N 2 2 363.462 0.639 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000573675008 491447634 /nfs/dbraw/zinc/44/76/34/491447634.db2.gz ZHDNGNSVUOUGSE-BPKGMFCQSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000573675008 491447636 /nfs/dbraw/zinc/44/76/36/491447636.db2.gz ZHDNGNSVUOUGSE-BPKGMFCQSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000573675010 491447660 /nfs/dbraw/zinc/44/76/60/491447660.db2.gz ZHDNGNSVUOUGSE-OVYGPGRDSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000573675010 491447662 /nfs/dbraw/zinc/44/76/62/491447662.db2.gz ZHDNGNSVUOUGSE-OVYGPGRDSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494527 491448356 /nfs/dbraw/zinc/44/83/56/491448356.db2.gz AGBAEAVDGYELOB-JVPBZIDWSA-N 2 2 370.497 0.986 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494527 491448358 /nfs/dbraw/zinc/44/83/58/491448358.db2.gz AGBAEAVDGYELOB-JVPBZIDWSA-N 2 2 370.497 0.986 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCN2C1=O ZINC000566512689 491450796 /nfs/dbraw/zinc/45/07/96/491450796.db2.gz NWOZSWGKMAOSRZ-DZGCQCFKSA-N 2 2 372.404 0.465 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000566668182 491459236 /nfs/dbraw/zinc/45/92/36/491459236.db2.gz APXLDTPQTFIYTD-GJZGRUSLSA-N 2 2 354.495 0.380 20 0 FCADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000559389280 491469557 /nfs/dbraw/zinc/46/95/57/491469557.db2.gz TVIRLMIPPFUQAG-LSDHHAIUSA-N 2 2 371.441 0.860 20 0 FCADLP CCC(CC)[C@H](CNC(=O)[C@@H]([NH2+]C)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000574077817 491473076 /nfs/dbraw/zinc/47/30/76/491473076.db2.gz AZAFHAPRADOZGG-IRXDYDNUSA-N 2 2 351.495 0.934 20 0 FCADLP Cc1cc(N2CCC([NH2+]C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n[nH]1 ZINC000566910526 491474792 /nfs/dbraw/zinc/47/47/92/491474792.db2.gz PMEQGYVCAUEKMJ-INMHGKMJSA-N 2 2 351.495 0.747 20 0 FCADLP C[C@@H](NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000574149193 491477357 /nfs/dbraw/zinc/47/73/57/491477357.db2.gz QIQZZNNKYYVIEN-NVXWUHKLSA-N 2 2 366.531 0.853 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000574181213 491479587 /nfs/dbraw/zinc/47/95/87/491479587.db2.gz XCINVQZHHOPLAY-GOSISDBHSA-N 2 2 373.501 0.135 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000559551490 491480793 /nfs/dbraw/zinc/48/07/93/491480793.db2.gz IRZCVPRSBSALMB-KRWDZBQOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000559551490 491480794 /nfs/dbraw/zinc/48/07/94/491480794.db2.gz IRZCVPRSBSALMB-KRWDZBQOSA-N 2 2 368.522 0.450 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574286282 491486580 /nfs/dbraw/zinc/48/65/80/491486580.db2.gz FPGSXPAPLNJCSF-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@@H]1C ZINC000574286282 491486581 /nfs/dbraw/zinc/48/65/81/491486581.db2.gz FPGSXPAPLNJCSF-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@@H]1C ZINC000574286282 491486582 /nfs/dbraw/zinc/48/65/82/491486582.db2.gz FPGSXPAPLNJCSF-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@@H]1C ZINC000574286282 491486583 /nfs/dbraw/zinc/48/65/83/491486583.db2.gz FPGSXPAPLNJCSF-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1C[NH2+]C1 ZINC000567159540 491489097 /nfs/dbraw/zinc/48/90/97/491489097.db2.gz WZPFVKKATRDIKY-CQSZACIVSA-N 2 2 352.504 0.320 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339760 491490260 /nfs/dbraw/zinc/49/02/60/491490260.db2.gz MZKUTTMWLPRHCM-GOEBONIOSA-N 2 2 362.499 0.529 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCCSc3ccccc3)CCN2C1=O ZINC000574339760 491490262 /nfs/dbraw/zinc/49/02/62/491490262.db2.gz MZKUTTMWLPRHCM-GOEBONIOSA-N 2 2 362.499 0.529 20 0 FCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000574404120 491494110 /nfs/dbraw/zinc/49/41/10/491494110.db2.gz LEOGUOMMRBUZLU-MSOLQXFVSA-N 2 2 358.486 0.999 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000559749103 491495369 /nfs/dbraw/zinc/49/53/69/491495369.db2.gz RJNPCNBMSBNWBO-HIFRSBDPSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000559749103 491495371 /nfs/dbraw/zinc/49/53/71/491495371.db2.gz RJNPCNBMSBNWBO-HIFRSBDPSA-N 2 2 368.503 0.304 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c[nH+]1 ZINC000559763543 491497431 /nfs/dbraw/zinc/49/74/31/491497431.db2.gz SQAJKMADRRTZEU-UHFFFAOYSA-N 2 2 359.474 0.851 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000574450267 491497700 /nfs/dbraw/zinc/49/77/00/491497700.db2.gz KMMBSFRTUWVCEV-CHWSQXEVSA-N 2 2 362.478 0.708 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463587 491498871 /nfs/dbraw/zinc/49/88/71/491498871.db2.gz ZHSXNNQNKDHFIF-IAGOWNOFSA-N 3 2 352.523 0.949 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000574463587 491498874 /nfs/dbraw/zinc/49/88/74/491498874.db2.gz ZHSXNNQNKDHFIF-IAGOWNOFSA-N 3 2 352.523 0.949 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000567313803 491499524 /nfs/dbraw/zinc/49/95/24/491499524.db2.gz LNIAJZPQTHFIFE-JCGIZDLHSA-N 2 2 353.486 0.719 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000567313803 491499527 /nfs/dbraw/zinc/49/95/27/491499527.db2.gz LNIAJZPQTHFIFE-JCGIZDLHSA-N 2 2 353.486 0.719 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567313803 491499530 /nfs/dbraw/zinc/49/95/30/491499530.db2.gz LNIAJZPQTHFIFE-JCGIZDLHSA-N 2 2 353.486 0.719 20 0 FCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567313803 491499532 /nfs/dbraw/zinc/49/95/32/491499532.db2.gz LNIAJZPQTHFIFE-JCGIZDLHSA-N 2 2 353.486 0.719 20 0 FCADLP CN(CCC[NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000567572337 491514748 /nfs/dbraw/zinc/51/47/48/491514748.db2.gz STZAGTKKDWIQTH-UHFFFAOYSA-N 2 2 353.511 0.701 20 0 FCADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000574788219 491520066 /nfs/dbraw/zinc/52/00/66/491520066.db2.gz YSKOWAPBYPZUQQ-LBPRGKRZSA-N 2 2 350.850 0.633 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717590 491524778 /nfs/dbraw/zinc/52/47/78/491524778.db2.gz VGGHKRNGYBJUDI-QWHCGFSZSA-N 2 2 363.462 0.588 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717590 491524779 /nfs/dbraw/zinc/52/47/79/491524779.db2.gz VGGHKRNGYBJUDI-QWHCGFSZSA-N 2 2 363.462 0.588 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000560219873 491524914 /nfs/dbraw/zinc/52/49/14/491524914.db2.gz ABYGIYIZFAMTLA-UHFFFAOYSA-N 2 2 352.354 0.926 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000560299326 491529646 /nfs/dbraw/zinc/52/96/46/491529646.db2.gz KWEZEPBLLFBAGM-LSDHHAIUSA-N 2 2 368.522 0.591 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000560309068 491530189 /nfs/dbraw/zinc/53/01/89/491530189.db2.gz RVVYNWXIEXZPRS-GJZGRUSLSA-N 2 2 351.451 0.005 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC3(C)COC3)CC2)CC1 ZINC000574985211 491531660 /nfs/dbraw/zinc/53/16/60/491531660.db2.gz OOPARLTXFXIHOP-UHFFFAOYSA-N 2 2 359.536 0.845 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC3(C)COC3)CC2)CC1 ZINC000574985211 491531662 /nfs/dbraw/zinc/53/16/62/491531662.db2.gz OOPARLTXFXIHOP-UHFFFAOYSA-N 2 2 359.536 0.845 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660404768 493348788 /nfs/dbraw/zinc/34/87/88/493348788.db2.gz OJZNHMATYQBXRZ-GOSISDBHSA-N 2 2 367.538 0.520 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000574998952 491532472 /nfs/dbraw/zinc/53/24/72/491532472.db2.gz DNNPTXISEJSDDZ-JTQLQIEISA-N 2 2 358.402 0.272 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000574998952 491532476 /nfs/dbraw/zinc/53/24/76/491532476.db2.gz DNNPTXISEJSDDZ-JTQLQIEISA-N 2 2 358.402 0.272 20 0 FCADLP COCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000567891105 491538485 /nfs/dbraw/zinc/53/84/85/491538485.db2.gz CVXJOPPWVWRGBI-IHRRRGAJSA-N 2 2 351.451 0.857 20 0 FCADLP COCc1noc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000567891105 491538486 /nfs/dbraw/zinc/53/84/86/491538486.db2.gz CVXJOPPWVWRGBI-IHRRRGAJSA-N 2 2 351.451 0.857 20 0 FCADLP [NH3+][C@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)Cc1ccccc1 ZINC000567968163 491544201 /nfs/dbraw/zinc/54/42/01/491544201.db2.gz COJOPHJVBKTCQI-SFHVURJKSA-N 2 2 358.486 0.713 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575322725 491548758 /nfs/dbraw/zinc/54/87/58/491548758.db2.gz SIFQEZLHOGGBTP-HYVNUMGLSA-N 2 2 352.504 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575322725 491548760 /nfs/dbraw/zinc/54/87/60/491548760.db2.gz SIFQEZLHOGGBTP-HYVNUMGLSA-N 2 2 352.504 0.916 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000575750044 491558331 /nfs/dbraw/zinc/55/83/31/491558331.db2.gz KITADPYSXVXJBE-HUUCEWRRSA-N 2 2 365.499 0.703 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561010760 491569579 /nfs/dbraw/zinc/56/95/79/491569579.db2.gz JBMFDYLDZLUPEU-YESZJQIVSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561010760 491569581 /nfs/dbraw/zinc/56/95/81/491569581.db2.gz JBMFDYLDZLUPEU-YESZJQIVSA-N 2 2 368.522 0.593 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000561039204 491571720 /nfs/dbraw/zinc/57/17/20/491571720.db2.gz XVUXPINFFKUJCT-LBPRGKRZSA-N 2 2 373.454 0.183 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000561039204 491571722 /nfs/dbraw/zinc/57/17/22/491571722.db2.gz XVUXPINFFKUJCT-LBPRGKRZSA-N 2 2 373.454 0.183 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000575976227 491573483 /nfs/dbraw/zinc/57/34/83/491573483.db2.gz XPSZFGQXYKVEIX-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000575976227 491573486 /nfs/dbraw/zinc/57/34/86/491573486.db2.gz XPSZFGQXYKVEIX-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000576037283 491577278 /nfs/dbraw/zinc/57/72/78/491577278.db2.gz UDHGIXFUNRBIJL-UHFFFAOYSA-N 2 2 351.410 0.972 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]1 ZINC000561151202 491578686 /nfs/dbraw/zinc/57/86/86/491578686.db2.gz KJYKMBGBUYWRSC-HOTGVXAUSA-N 2 2 374.489 0.560 20 0 FCADLP CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000568494103 491580162 /nfs/dbraw/zinc/58/01/62/491580162.db2.gz MMLJRCKGKJTICI-KRWDZBQOSA-N 2 2 366.506 0.015 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)[C@@H](C[NH3+])C1 ZINC000561173917 491580389 /nfs/dbraw/zinc/58/03/89/491580389.db2.gz FPSRORDVCWTMHG-INIZCTEOSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)[C@@H](C[NH3+])C1 ZINC000561173917 491580391 /nfs/dbraw/zinc/58/03/91/491580391.db2.gz FPSRORDVCWTMHG-INIZCTEOSA-N 2 2 351.495 0.452 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000561195173 491582143 /nfs/dbraw/zinc/58/21/43/491582143.db2.gz ZSBXPLKLPJUTSF-SOUVJXGZSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000561195173 491582145 /nfs/dbraw/zinc/58/21/45/491582145.db2.gz ZSBXPLKLPJUTSF-SOUVJXGZSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000561195173 491582146 /nfs/dbraw/zinc/58/21/46/491582146.db2.gz ZSBXPLKLPJUTSF-SOUVJXGZSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000561195173 491582149 /nfs/dbraw/zinc/58/21/49/491582149.db2.gz ZSBXPLKLPJUTSF-SOUVJXGZSA-N 2 2 354.495 0.153 20 0 FCADLP C[C@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000576130512 491583677 /nfs/dbraw/zinc/58/36/77/491583677.db2.gz XPRJBADPOQROII-KBPBESRZSA-N 2 2 360.462 0.683 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H](C)C[NH2+]1 ZINC000576130515 491583831 /nfs/dbraw/zinc/58/38/31/491583831.db2.gz XPRJBADPOQROII-ZIAGYGMSSA-N 2 2 360.462 0.683 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H](C)C[NH2+]1 ZINC000576130513 491584071 /nfs/dbraw/zinc/58/40/71/491584071.db2.gz XPRJBADPOQROII-KGLIPLIRSA-N 2 2 360.462 0.683 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000577068601 491585905 /nfs/dbraw/zinc/58/59/05/491585905.db2.gz SVHUWQRKQQOPSX-OAHLLOKOSA-N 2 2 351.422 0.857 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000584400490 491586047 /nfs/dbraw/zinc/58/60/47/491586047.db2.gz OPXBVCBLXMKYEU-DLBZAZTESA-N 2 2 365.522 0.857 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428460 493352957 /nfs/dbraw/zinc/35/29/57/493352957.db2.gz BTSIVKYNUODRIV-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000668428460 493352960 /nfs/dbraw/zinc/35/29/60/493352960.db2.gz BTSIVKYNUODRIV-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000577094558 491589352 /nfs/dbraw/zinc/58/93/52/491589352.db2.gz NNVMBURPJKDXPP-VQTJNVASSA-N 3 2 372.513 0.931 20 0 FCADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445786 491591948 /nfs/dbraw/zinc/59/19/48/491591948.db2.gz SPGPSNAMSNJRHO-ARFHVFGLSA-N 2 2 358.490 0.922 20 0 FCADLP C[C@@H]1C[C@H]1[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H](C)C1 ZINC000584445786 491591952 /nfs/dbraw/zinc/59/19/52/491591952.db2.gz SPGPSNAMSNJRHO-ARFHVFGLSA-N 2 2 358.490 0.922 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000576220079 491593655 /nfs/dbraw/zinc/59/36/55/491593655.db2.gz CBDXPOYSFUJJDX-UXLLHSPISA-N 2 2 365.474 0.944 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000576220079 491593657 /nfs/dbraw/zinc/59/36/57/491593657.db2.gz CBDXPOYSFUJJDX-UXLLHSPISA-N 2 2 365.474 0.944 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000576265108 491598930 /nfs/dbraw/zinc/59/89/30/491598930.db2.gz XUWCTKLZSUMJNM-HOTGVXAUSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000577238520 491605809 /nfs/dbraw/zinc/60/58/09/491605809.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000577238520 491605812 /nfs/dbraw/zinc/60/58/12/491605812.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238520 491605815 /nfs/dbraw/zinc/60/58/15/491605815.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000577238520 491605816 /nfs/dbraw/zinc/60/58/16/491605816.db2.gz BLAGGZWKCWYNEM-CVEARBPZSA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000576331663 491606032 /nfs/dbraw/zinc/60/60/32/491606032.db2.gz YPYPVGOQOWKCJZ-VVLHAWIVSA-N 2 2 366.506 0.332 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000568760737 491607353 /nfs/dbraw/zinc/60/73/53/491607353.db2.gz XZCGWRYDXODISR-LSDHHAIUSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000568760737 491607355 /nfs/dbraw/zinc/60/73/55/491607355.db2.gz XZCGWRYDXODISR-LSDHHAIUSA-N 2 2 350.850 0.794 20 0 FCADLP CCO[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000568762699 491607912 /nfs/dbraw/zinc/60/79/12/491607912.db2.gz HDAOGFRCPRVJSU-BJWYYQGGSA-N 2 2 368.522 0.304 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000576376344 491609515 /nfs/dbraw/zinc/60/95/15/491609515.db2.gz WWPGRXLWSUSQTC-UHFFFAOYSA-N 2 2 373.501 0.135 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000577369536 491615942 /nfs/dbraw/zinc/61/59/42/491615942.db2.gz FYWIBCKIYIFTGG-AWEZNQCLSA-N 2 2 359.474 0.640 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000576456027 491616567 /nfs/dbraw/zinc/61/65/67/491616567.db2.gz QNZCGYPGPHNINL-KURKYZTESA-N 2 2 354.539 0.421 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000576456027 491616570 /nfs/dbraw/zinc/61/65/70/491616570.db2.gz QNZCGYPGPHNINL-KURKYZTESA-N 2 2 354.539 0.421 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568902174 491618535 /nfs/dbraw/zinc/61/85/35/491618535.db2.gz XPOFJWVNZQYUJJ-IAQYHMDHSA-N 2 2 368.840 0.681 20 0 FCADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568902174 491618537 /nfs/dbraw/zinc/61/85/37/491618537.db2.gz XPOFJWVNZQYUJJ-IAQYHMDHSA-N 2 2 368.840 0.681 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000561596740 491620026 /nfs/dbraw/zinc/62/00/26/491620026.db2.gz OXEHYBPHFHBXPG-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000576626898 491631178 /nfs/dbraw/zinc/63/11/78/491631178.db2.gz PDTCAVDOECEMLY-LZWOXQAQSA-N 2 2 362.499 0.774 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000577594930 491634500 /nfs/dbraw/zinc/63/45/00/491634500.db2.gz QLCVYOWHAMPNHJ-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000577591251 491634589 /nfs/dbraw/zinc/63/45/89/491634589.db2.gz XKKFAIATFIMJTC-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000577591251 491634592 /nfs/dbraw/zinc/63/45/92/491634592.db2.gz XKKFAIATFIMJTC-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000577622114 491637060 /nfs/dbraw/zinc/63/70/60/491637060.db2.gz VSLJUGMTYHIVHL-HZPDHXFCSA-N 2 2 351.495 0.500 20 0 FCADLP O=S1(=O)CCC(O)(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000577636706 491639127 /nfs/dbraw/zinc/63/91/27/491639127.db2.gz CVJXTSHVGSKBTI-UHFFFAOYSA-N 2 2 352.500 0.964 20 0 FCADLP O=S1(=O)CCC(O)(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000577636706 491639130 /nfs/dbraw/zinc/63/91/30/491639130.db2.gz CVJXTSHVGSKBTI-UHFFFAOYSA-N 2 2 352.500 0.964 20 0 FCADLP C[N@H+]1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000569218665 491642464 /nfs/dbraw/zinc/64/24/64/491642464.db2.gz DAMXDESWGMLWBV-QGZVFWFLSA-N 2 2 374.485 0.405 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[NH+]1CCOCC1 ZINC000577697644 491643714 /nfs/dbraw/zinc/64/37/14/491643714.db2.gz IOZFASZHXBOZQW-UAGQMJEPSA-N 2 2 351.491 0.761 20 0 FCADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1S(=O)(=O)N(C)C ZINC000577708925 491643977 /nfs/dbraw/zinc/64/39/77/491643977.db2.gz JFXVTJRNQDBAQY-AWEZNQCLSA-N 2 2 369.491 0.352 20 0 FCADLP C[C@H]1CC2(CN1C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000577721458 491644996 /nfs/dbraw/zinc/64/49/96/491644996.db2.gz JATFRFBKHIKYKM-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000577727138 491646435 /nfs/dbraw/zinc/64/64/35/491646435.db2.gz CRUWMQLWGWEPLL-PMPSAXMXSA-N 2 2 354.495 0.236 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000577762106 491649908 /nfs/dbraw/zinc/64/99/08/491649908.db2.gz BJKDZIYRPFWBIT-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000577762106 491649911 /nfs/dbraw/zinc/64/99/11/491649911.db2.gz BJKDZIYRPFWBIT-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000577762106 491649915 /nfs/dbraw/zinc/64/99/15/491649915.db2.gz BJKDZIYRPFWBIT-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000577762106 491649918 /nfs/dbraw/zinc/64/99/18/491649918.db2.gz BJKDZIYRPFWBIT-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000576864202 491651696 /nfs/dbraw/zinc/65/16/96/491651696.db2.gz QQFQWCJQXAGSHV-RDJZCZTQSA-N 2 2 368.522 0.138 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000576864202 491651698 /nfs/dbraw/zinc/65/16/98/491651698.db2.gz QQFQWCJQXAGSHV-RDJZCZTQSA-N 2 2 368.522 0.138 20 0 FCADLP CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577832352 491654937 /nfs/dbraw/zinc/65/49/37/491654937.db2.gz VTUNKBYUOUXCDU-DZGCQCFKSA-N 2 2 368.503 0.826 20 0 FCADLP CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577832352 491654940 /nfs/dbraw/zinc/65/49/40/491654940.db2.gz VTUNKBYUOUXCDU-DZGCQCFKSA-N 2 2 368.503 0.826 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000576940904 491658384 /nfs/dbraw/zinc/65/83/84/491658384.db2.gz KVQQODXUJFBPIL-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(F)cc1 ZINC000577867172 491658628 /nfs/dbraw/zinc/65/86/28/491658628.db2.gz QMLQCZUYLXMHRM-NUJGCVRESA-N 2 2 362.449 0.883 20 0 FCADLP CC(C)[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(F)cc1 ZINC000577867172 491658631 /nfs/dbraw/zinc/65/86/31/491658631.db2.gz QMLQCZUYLXMHRM-NUJGCVRESA-N 2 2 362.449 0.883 20 0 FCADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000569396289 491659271 /nfs/dbraw/zinc/65/92/71/491659271.db2.gz MNCKFIKGKBPLSY-INIZCTEOSA-N 2 2 355.442 0.899 20 0 FCADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000569396289 491659275 /nfs/dbraw/zinc/65/92/75/491659275.db2.gz MNCKFIKGKBPLSY-INIZCTEOSA-N 2 2 355.442 0.899 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000562274121 491663381 /nfs/dbraw/zinc/66/33/81/491663381.db2.gz OWXKRDQKLSZXGM-UHFFFAOYSA-N 2 2 355.442 0.667 20 0 FCADLP COCCCOc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000578334835 491675013 /nfs/dbraw/zinc/67/50/13/491675013.db2.gz SAXQNHQIRVIEAL-INIZCTEOSA-N 2 2 350.463 0.886 20 0 FCADLP COCCCOc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000578334835 491675014 /nfs/dbraw/zinc/67/50/14/491675014.db2.gz SAXQNHQIRVIEAL-INIZCTEOSA-N 2 2 350.463 0.886 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)C[C@H](C)O1 ZINC000578435399 491677170 /nfs/dbraw/zinc/67/71/70/491677170.db2.gz AQCTZMUOCBSWSR-JKIFEVAISA-N 2 2 368.499 0.576 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)C[C@H](C)O1 ZINC000578435399 491677171 /nfs/dbraw/zinc/67/71/71/491677171.db2.gz AQCTZMUOCBSWSR-JKIFEVAISA-N 2 2 368.499 0.576 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H](C)O1 ZINC000578792732 491684513 /nfs/dbraw/zinc/68/45/13/491684513.db2.gz LKQMDUCLFQYEOX-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H](C)O1 ZINC000578792732 491684514 /nfs/dbraw/zinc/68/45/14/491684514.db2.gz LKQMDUCLFQYEOX-BZUAXINKSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043267 491689818 /nfs/dbraw/zinc/68/98/18/491689818.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043267 491689819 /nfs/dbraw/zinc/68/98/19/491689819.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043267 491689820 /nfs/dbraw/zinc/68/98/20/491689820.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@@H](O)C[NH+](C)C1CC1 ZINC000579043267 491689821 /nfs/dbraw/zinc/68/98/21/491689821.db2.gz AJTINHNIZUSCFM-JSJNYSNDSA-N 3 2 368.566 0.291 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccsc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000579342221 491695684 /nfs/dbraw/zinc/69/56/84/491695684.db2.gz XUQPKYBCMWFJJG-HOTGVXAUSA-N 2 2 362.499 0.460 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000579506351 491699466 /nfs/dbraw/zinc/69/94/66/491699466.db2.gz VUXBCJQRHVUJFM-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C[C@H](C)[N@H+]1C ZINC000579568824 491700601 /nfs/dbraw/zinc/70/06/01/491700601.db2.gz MAJLEMPJYDWCKK-GASCZTMLSA-N 2 2 367.519 0.547 20 0 FCADLP C[C@@H]1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C[C@H](C)[N@@H+]1C ZINC000579568824 491700602 /nfs/dbraw/zinc/70/06/02/491700602.db2.gz MAJLEMPJYDWCKK-GASCZTMLSA-N 2 2 367.519 0.547 20 0 FCADLP CN(C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000579573195 491700768 /nfs/dbraw/zinc/70/07/68/491700768.db2.gz KBYBVYXTARGNLG-UHFFFAOYSA-N 2 2 373.501 0.135 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)C[C@@H](C)O1 ZINC000579710404 491703556 /nfs/dbraw/zinc/70/35/56/491703556.db2.gz LGVWAGZVLSCCKA-JOCBIADPSA-N 2 2 356.507 0.614 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000579856598 491707059 /nfs/dbraw/zinc/70/70/59/491707059.db2.gz QVYNUNJVQZDYJT-UHFFFAOYSA-N 2 2 361.450 0.226 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000584663026 491709466 /nfs/dbraw/zinc/70/94/66/491709466.db2.gz RIEORMIDRJWXRH-INIZCTEOSA-N 2 2 355.504 0.881 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000584663026 491709467 /nfs/dbraw/zinc/70/94/67/491709467.db2.gz RIEORMIDRJWXRH-INIZCTEOSA-N 2 2 355.504 0.881 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000579958548 491711134 /nfs/dbraw/zinc/71/11/34/491711134.db2.gz JFNIGFMMWJLPRN-JKSUJKDBSA-N 2 2 362.474 0.452 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000584776611 491713881 /nfs/dbraw/zinc/71/38/81/491713881.db2.gz IGONWSVGOIUHCR-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000584776611 491713882 /nfs/dbraw/zinc/71/38/82/491713882.db2.gz IGONWSVGOIUHCR-MRXNPFEDSA-N 2 2 355.527 0.375 20 0 FCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000580521017 491734368 /nfs/dbraw/zinc/73/43/68/491734368.db2.gz URHOMHOKHRWTKZ-HNNXBMFYSA-N 2 2 362.478 0.914 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000580532831 491734678 /nfs/dbraw/zinc/73/46/78/491734678.db2.gz IUNXSILVXGYVJQ-ROUUACIJSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000580532831 491734680 /nfs/dbraw/zinc/73/46/80/491734680.db2.gz IUNXSILVXGYVJQ-ROUUACIJSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)CCn2cc(Br)ccc2=O)[C@@H](C[NH3+])C1 ZINC000580561494 491736244 /nfs/dbraw/zinc/73/62/44/491736244.db2.gz DCVFTFUAGOOJGB-LBPRGKRZSA-N 2 2 357.252 0.102 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000580602353 491738457 /nfs/dbraw/zinc/73/84/57/491738457.db2.gz GPLPORJKDAGHSW-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000580602353 491738459 /nfs/dbraw/zinc/73/84/59/491738459.db2.gz GPLPORJKDAGHSW-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP CSCC[C@H](C)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236848 491742621 /nfs/dbraw/zinc/74/26/21/491742621.db2.gz OMCGQARIGLYXDK-LSDHHAIUSA-N 2 2 370.563 0.871 20 0 FCADLP CSCC[C@H](C)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236848 491742623 /nfs/dbraw/zinc/74/26/23/491742623.db2.gz OMCGQARIGLYXDK-LSDHHAIUSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@H](CSC)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236377 491742652 /nfs/dbraw/zinc/74/26/52/491742652.db2.gz JZCUBXYYMDWIND-LSDHHAIUSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@H](CSC)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236377 491742653 /nfs/dbraw/zinc/74/26/53/491742653.db2.gz JZCUBXYYMDWIND-LSDHHAIUSA-N 2 2 370.563 0.871 20 0 FCADLP CCSCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236388 491742695 /nfs/dbraw/zinc/74/26/95/491742695.db2.gz LWKVNRIVXNZGDQ-AWEZNQCLSA-N 2 2 356.536 0.531 20 0 FCADLP CCSCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236388 491742697 /nfs/dbraw/zinc/74/26/97/491742697.db2.gz LWKVNRIVXNZGDQ-AWEZNQCLSA-N 2 2 356.536 0.531 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000580713520 491742759 /nfs/dbraw/zinc/74/27/59/491742759.db2.gz VMSWXHAOGYZWQS-GFCCVEGCSA-N 2 2 353.492 0.772 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000580713520 491742760 /nfs/dbraw/zinc/74/27/60/491742760.db2.gz VMSWXHAOGYZWQS-GFCCVEGCSA-N 2 2 353.492 0.772 20 0 FCADLP CN(C(=O)c1ccccc1N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000580774932 491745388 /nfs/dbraw/zinc/74/53/88/491745388.db2.gz FGACJPWVRKIQKZ-UHFFFAOYSA-N 2 2 373.501 0.579 20 0 FCADLP CCOCC[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000580888981 491750443 /nfs/dbraw/zinc/75/04/43/491750443.db2.gz UKQSJPHHFMXCQF-INIZCTEOSA-N 2 2 350.463 0.497 20 0 FCADLP O=C(CCNc1[nH+]cnc2[nH]ccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000588898323 491751343 /nfs/dbraw/zinc/75/13/43/491751343.db2.gz OAFCFMJZNRSKDP-UHFFFAOYSA-N 2 2 351.414 1.504 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000581010685 491755440 /nfs/dbraw/zinc/75/54/40/491755440.db2.gz VWJRMAKWFNEZDS-HUUCEWRRSA-N 2 2 350.850 0.794 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000581010685 491755442 /nfs/dbraw/zinc/75/54/42/491755442.db2.gz VWJRMAKWFNEZDS-HUUCEWRRSA-N 2 2 350.850 0.794 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000581130519 491760624 /nfs/dbraw/zinc/76/06/24/491760624.db2.gz PXVSNETYZHTKJE-HNNXBMFYSA-N 2 2 354.476 0.553 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000581130519 491760626 /nfs/dbraw/zinc/76/06/26/491760626.db2.gz PXVSNETYZHTKJE-HNNXBMFYSA-N 2 2 354.476 0.553 20 0 FCADLP CC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000590062569 491769286 /nfs/dbraw/zinc/76/92/86/491769286.db2.gz RTEMKTOWRGJZQZ-AWEZNQCLSA-N 2 2 357.462 0.886 20 0 FCADLP CC[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000590062569 491769287 /nfs/dbraw/zinc/76/92/87/491769287.db2.gz RTEMKTOWRGJZQZ-AWEZNQCLSA-N 2 2 357.462 0.886 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000581562969 491777995 /nfs/dbraw/zinc/77/79/95/491777995.db2.gz NPPVDQRMALNIMO-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000581562969 491777997 /nfs/dbraw/zinc/77/79/97/491777997.db2.gz NPPVDQRMALNIMO-QGZVFWFLSA-N 2 2 368.522 0.548 20 0 FCADLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000590819042 491787374 /nfs/dbraw/zinc/78/73/74/491787374.db2.gz VBGGPFKIEGXPJU-ZBFHGGJFSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000590819042 491787375 /nfs/dbraw/zinc/78/73/75/491787375.db2.gz VBGGPFKIEGXPJU-ZBFHGGJFSA-N 2 2 359.536 0.730 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590871111 491787990 /nfs/dbraw/zinc/78/79/90/491787990.db2.gz NXRAUDDJUWARBE-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590871111 491787991 /nfs/dbraw/zinc/78/79/91/491787991.db2.gz NXRAUDDJUWARBE-JKSUJKDBSA-N 2 2 354.495 0.338 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000590914977 491788765 /nfs/dbraw/zinc/78/87/65/491788765.db2.gz FVWROJIHJWKYQU-UHFFFAOYSA-N 2 2 371.445 0.289 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000582124841 491798967 /nfs/dbraw/zinc/79/89/67/491798967.db2.gz VNUDJXFWPXEPEV-LPHOPBHVSA-N 2 2 371.485 0.638 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000582124841 491798969 /nfs/dbraw/zinc/79/89/69/491798969.db2.gz VNUDJXFWPXEPEV-LPHOPBHVSA-N 2 2 371.485 0.638 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000582231009 491803102 /nfs/dbraw/zinc/80/31/02/491803102.db2.gz BDSHWIWSHIREEB-HNNXBMFYSA-N 2 2 351.495 0.324 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000582782620 491826642 /nfs/dbraw/zinc/82/66/42/491826642.db2.gz GGKSAFDILMHBLF-ROUUACIJSA-N 2 2 374.485 0.353 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CCN2C1=O ZINC000582916112 491832194 /nfs/dbraw/zinc/83/21/94/491832194.db2.gz RPLFXOKJGIMLTE-LSDHHAIUSA-N 2 2 354.414 0.326 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964611 491834432 /nfs/dbraw/zinc/83/44/32/491834432.db2.gz FDMFYLJOKOHIMK-SJORKVTESA-N 2 2 371.485 0.904 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000582964611 491834434 /nfs/dbraw/zinc/83/44/34/491834434.db2.gz FDMFYLJOKOHIMK-SJORKVTESA-N 2 2 371.485 0.904 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583494069 491846085 /nfs/dbraw/zinc/84/60/85/491846085.db2.gz IPCBAGRYDUNVSJ-UTKZUKDTSA-N 2 2 370.497 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583494069 491846086 /nfs/dbraw/zinc/84/60/86/491846086.db2.gz IPCBAGRYDUNVSJ-UTKZUKDTSA-N 2 2 370.497 0.931 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000583637728 491849249 /nfs/dbraw/zinc/84/92/49/491849249.db2.gz NZSJRVBPSXQVGW-INIZCTEOSA-N 2 2 361.490 0.869 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000583637728 491849250 /nfs/dbraw/zinc/84/92/50/491849250.db2.gz NZSJRVBPSXQVGW-INIZCTEOSA-N 2 2 361.490 0.869 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000583753237 491851246 /nfs/dbraw/zinc/85/12/46/491851246.db2.gz SLXIITHCGDOVCZ-MJBXVCDLSA-N 2 2 363.462 0.165 20 0 FCADLP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583867641 491853656 /nfs/dbraw/zinc/85/36/56/491853656.db2.gz WXJMFCLSWWEPOP-LZWOXQAQSA-N 2 2 371.503 0.202 20 0 FCADLP Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583867641 491853657 /nfs/dbraw/zinc/85/36/57/491853657.db2.gz WXJMFCLSWWEPOP-LZWOXQAQSA-N 2 2 371.503 0.202 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCNC(=O)c3ccn[nH]3)c2cc1C ZINC000584168546 491859893 /nfs/dbraw/zinc/85/98/93/491859893.db2.gz OJPYPSCFKXIVCI-AWEZNQCLSA-N 2 2 356.430 0.757 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875901 491869294 /nfs/dbraw/zinc/86/92/94/491869294.db2.gz NYZIFAXRJNROOM-DZKIICNBSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875901 491869296 /nfs/dbraw/zinc/86/92/96/491869296.db2.gz NYZIFAXRJNROOM-DZKIICNBSA-N 2 2 360.458 0.458 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594977192 491874138 /nfs/dbraw/zinc/87/41/38/491874138.db2.gz VAHDOHDWVBVXGA-WMZOPIPTSA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594977192 491874140 /nfs/dbraw/zinc/87/41/40/491874140.db2.gz VAHDOHDWVBVXGA-WMZOPIPTSA-N 2 2 368.547 0.978 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611838140 491877495 /nfs/dbraw/zinc/87/74/95/491877495.db2.gz GGZLZVJLKMIELI-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611838140 491877497 /nfs/dbraw/zinc/87/74/97/491877497.db2.gz GGZLZVJLKMIELI-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842177 491886464 /nfs/dbraw/zinc/88/64/64/491886464.db2.gz NADGPRWQSSRTDJ-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000600842177 491886468 /nfs/dbraw/zinc/88/64/68/491886468.db2.gz NADGPRWQSSRTDJ-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000600842177 491886469 /nfs/dbraw/zinc/88/64/69/491886469.db2.gz NADGPRWQSSRTDJ-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CCC(CC)[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+]1CCOCC1 ZINC000600842177 491886471 /nfs/dbraw/zinc/88/64/71/491886471.db2.gz NADGPRWQSSRTDJ-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cnc2c1ncnc2N ZINC000611975023 491887389 /nfs/dbraw/zinc/88/73/89/491887389.db2.gz VUVYZIOMSFAJTO-LBPRGKRZSA-N 2 2 360.466 0.112 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000612020591 491891530 /nfs/dbraw/zinc/89/15/30/491891530.db2.gz XYFWCNUNSOVKCZ-HIFRSBDPSA-N 2 2 354.476 0.023 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000612057739 491896078 /nfs/dbraw/zinc/89/60/78/491896078.db2.gz QJFGHUPJVFUTJN-GOEBONIOSA-N 2 2 368.503 0.413 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCN2C1=O ZINC000595265801 491909388 /nfs/dbraw/zinc/90/93/88/491909388.db2.gz HLRWWJRUADTGKN-JKSUJKDBSA-N 2 2 372.473 0.525 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000612315125 491910089 /nfs/dbraw/zinc/91/00/89/491910089.db2.gz JIDJOIZTJIKACS-KZNAEPCWSA-N 2 2 368.522 0.992 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000595406372 491929528 /nfs/dbraw/zinc/92/95/28/491929528.db2.gz CXQJXNDAPXQKIO-ULQDDVLXSA-N 2 2 366.506 0.108 20 0 FCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000595406372 491929530 /nfs/dbraw/zinc/92/95/30/491929530.db2.gz CXQJXNDAPXQKIO-ULQDDVLXSA-N 2 2 366.506 0.108 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000612545594 491931511 /nfs/dbraw/zinc/93/15/11/491931511.db2.gz LTAXNASXYSNHCG-HNNXBMFYSA-N 2 2 360.462 0.034 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000612545594 491931513 /nfs/dbraw/zinc/93/15/13/491931513.db2.gz LTAXNASXYSNHCG-HNNXBMFYSA-N 2 2 360.462 0.034 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612780456 491950803 /nfs/dbraw/zinc/95/08/03/491950803.db2.gz GTEZEMLVKGDLMQ-HNNXBMFYSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612780456 491950804 /nfs/dbraw/zinc/95/08/04/491950804.db2.gz GTEZEMLVKGDLMQ-HNNXBMFYSA-N 2 2 366.506 0.062 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000602107745 491961657 /nfs/dbraw/zinc/96/16/57/491961657.db2.gz OBXJCIBXGWVIJO-OAHLLOKOSA-N 2 2 355.479 0.441 20 0 FCADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602194402 491966792 /nfs/dbraw/zinc/96/67/92/491966792.db2.gz KNNNQDWLMZZUFH-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602194402 491966793 /nfs/dbraw/zinc/96/67/93/491966793.db2.gz KNNNQDWLMZZUFH-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199289 491967325 /nfs/dbraw/zinc/96/73/25/491967325.db2.gz HPPZWYGVCRCXIP-CXAGYDPISA-N 2 2 352.504 0.337 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]34CCC(=O)N3CCS4)C2)CC1 ZINC000602199289 491967327 /nfs/dbraw/zinc/96/73/27/491967327.db2.gz HPPZWYGVCRCXIP-CXAGYDPISA-N 2 2 352.504 0.337 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3Cc4ccccc4C3=O)C2)CC1 ZINC000602196505 491967453 /nfs/dbraw/zinc/96/74/53/491967453.db2.gz VIBXUDJOUOYMJZ-MRXNPFEDSA-N 2 2 356.470 0.927 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3Cc4ccccc4C3=O)C2)CC1 ZINC000602196505 491967454 /nfs/dbraw/zinc/96/74/54/491967454.db2.gz VIBXUDJOUOYMJZ-MRXNPFEDSA-N 2 2 356.470 0.927 20 0 FCADLP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000613555651 491986115 /nfs/dbraw/zinc/98/61/15/491986115.db2.gz RKMOFDZTSFYEHI-NJAFHUGGSA-N 2 2 362.518 0.635 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)cn1 ZINC000602446600 491986730 /nfs/dbraw/zinc/98/67/30/491986730.db2.gz JIAFOWASWGCFBJ-UHFFFAOYSA-N 2 2 352.508 0.296 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523074 491991149 /nfs/dbraw/zinc/99/11/49/491991149.db2.gz BXUORJGSLHKVKH-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC000602523074 491991152 /nfs/dbraw/zinc/99/11/52/491991152.db2.gz BXUORJGSLHKVKH-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523074 491991154 /nfs/dbraw/zinc/99/11/54/491991154.db2.gz BXUORJGSLHKVKH-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000602523074 491991157 /nfs/dbraw/zinc/99/11/57/491991157.db2.gz BXUORJGSLHKVKH-CVEARBPZSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000596604693 491992669 /nfs/dbraw/zinc/99/26/69/491992669.db2.gz BRWVXGGMZALDPZ-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000596604693 491992670 /nfs/dbraw/zinc/99/26/70/491992670.db2.gz BRWVXGGMZALDPZ-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP COC(=O)[C@@]1(C)C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000602927134 492006030 /nfs/dbraw/zinc/00/60/30/492006030.db2.gz RJVKZEZGXILWKB-KSSFIOAISA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@@]1(C)C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000602927134 492006031 /nfs/dbraw/zinc/00/60/31/492006031.db2.gz RJVKZEZGXILWKB-KSSFIOAISA-N 2 2 355.479 0.344 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@@H](O)C[N@H+](C)CC)nn2)CC1 ZINC000603258773 492022384 /nfs/dbraw/zinc/02/23/84/492022384.db2.gz KQMYDZODVCCHRP-INIZCTEOSA-N 2 2 353.467 0.366 20 0 FCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@@H](O)C[N@@H+](C)CC)nn2)CC1 ZINC000603258773 492022385 /nfs/dbraw/zinc/02/23/85/492022385.db2.gz KQMYDZODVCCHRP-INIZCTEOSA-N 2 2 353.467 0.366 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604194188 492053584 /nfs/dbraw/zinc/05/35/84/492053584.db2.gz FSOYBPMISDDBDC-IRXDYDNUSA-N 3 2 366.554 0.090 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604194188 492053585 /nfs/dbraw/zinc/05/35/85/492053585.db2.gz FSOYBPMISDDBDC-IRXDYDNUSA-N 3 2 366.554 0.090 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](CO)Cc3ccco3)C2)CC1 ZINC000604209854 492055118 /nfs/dbraw/zinc/05/51/18/492055118.db2.gz SZONGWMDFARGFN-CVEARBPZSA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](CO)Cc3ccco3)C2)CC1 ZINC000604209854 492055119 /nfs/dbraw/zinc/05/51/19/492055119.db2.gz SZONGWMDFARGFN-CVEARBPZSA-N 2 2 364.490 0.898 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)C1 ZINC000604351606 492057840 /nfs/dbraw/zinc/05/78/40/492057840.db2.gz VRBZLNSHJNQGHN-OAHLLOKOSA-N 2 2 355.446 0.514 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)C1 ZINC000604351606 492057841 /nfs/dbraw/zinc/05/78/41/492057841.db2.gz VRBZLNSHJNQGHN-OAHLLOKOSA-N 2 2 355.446 0.514 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)C1 ZINC000604651138 492066084 /nfs/dbraw/zinc/06/60/84/492066084.db2.gz IUGKXJQGGLLABP-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)CC2)C1 ZINC000604651138 492066087 /nfs/dbraw/zinc/06/60/87/492066087.db2.gz IUGKXJQGGLLABP-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)C1 ZINC000604651138 492066090 /nfs/dbraw/zinc/06/60/90/492066090.db2.gz IUGKXJQGGLLABP-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[NH+]1CCC[C@H](N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)C1 ZINC000604651138 492066093 /nfs/dbraw/zinc/06/60/93/492066093.db2.gz IUGKXJQGGLLABP-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC000615090476 492071974 /nfs/dbraw/zinc/07/19/74/492071974.db2.gz CALRGARQFJNXHB-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([NH+]2CCOC[C@@H]2C)CC1 ZINC000615090476 492071976 /nfs/dbraw/zinc/07/19/76/492071976.db2.gz CALRGARQFJNXHB-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000615090476 492071977 /nfs/dbraw/zinc/07/19/77/492071977.db2.gz CALRGARQFJNXHB-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000615090476 492071978 /nfs/dbraw/zinc/07/19/78/492071978.db2.gz CALRGARQFJNXHB-HNNXBMFYSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H](O)C3CCOCC3)C2)CC1 ZINC000605877426 492104281 /nfs/dbraw/zinc/10/42/81/492104281.db2.gz GMGDJBUAUHRNCP-WBVHZDCISA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H](O)C3CCOCC3)C2)CC1 ZINC000605877426 492104282 /nfs/dbraw/zinc/10/42/82/492104282.db2.gz GMGDJBUAUHRNCP-WBVHZDCISA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](O)C3CCOCC3)C2)CC1 ZINC000605877420 492104308 /nfs/dbraw/zinc/10/43/08/492104308.db2.gz GMGDJBUAUHRNCP-NVXWUHKLSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](O)C3CCOCC3)C2)CC1 ZINC000605877420 492104309 /nfs/dbraw/zinc/10/43/09/492104309.db2.gz GMGDJBUAUHRNCP-NVXWUHKLSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H](O)C3CCOCC3)CC2)CC1 ZINC000605882967 492104877 /nfs/dbraw/zinc/10/48/77/492104877.db2.gz PXEQCYNAGNSHIV-GOSISDBHSA-N 2 2 368.522 0.632 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605954031 492107693 /nfs/dbraw/zinc/10/76/93/492107693.db2.gz ONYBSIRUUJPBME-UHFFFAOYSA-N 2 2 368.570 0.339 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000606716227 492128326 /nfs/dbraw/zinc/12/83/26/492128326.db2.gz NSQWLAPPDLXBTP-IRXDYDNUSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000607154183 492139521 /nfs/dbraw/zinc/13/95/21/492139521.db2.gz CKKCUHPKHRSEIS-KGLIPLIRSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000607154183 492139523 /nfs/dbraw/zinc/13/95/23/492139523.db2.gz CKKCUHPKHRSEIS-KGLIPLIRSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000607154184 492139683 /nfs/dbraw/zinc/13/96/83/492139683.db2.gz CKKCUHPKHRSEIS-UONOGXRCSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000607154184 492139686 /nfs/dbraw/zinc/13/96/86/492139686.db2.gz CKKCUHPKHRSEIS-UONOGXRCSA-N 2 2 357.462 0.742 20 0 FCADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607391030 492145803 /nfs/dbraw/zinc/14/58/03/492145803.db2.gz VMVJVNOUKHQTIQ-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607391030 492145805 /nfs/dbraw/zinc/14/58/05/492145805.db2.gz VMVJVNOUKHQTIQ-PKOBYXMFSA-N 2 2 360.502 0.640 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013268 492162359 /nfs/dbraw/zinc/16/23/59/492162359.db2.gz ZXIINZWYGVMGJA-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000608013268 492162361 /nfs/dbraw/zinc/16/23/61/492162361.db2.gz ZXIINZWYGVMGJA-MOPGFXCFSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3nnnn3C3CC3)CC2)CC1 ZINC000608423690 492176111 /nfs/dbraw/zinc/17/61/11/492176111.db2.gz RLUZUPZSTBJVAA-UHFFFAOYSA-N 2 2 362.482 0.366 20 0 FCADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)NC(=O)NCC(F)(F)F ZINC000599472772 492177624 /nfs/dbraw/zinc/17/76/24/492177624.db2.gz PPUKZMAMBCAHHC-UHFFFAOYSA-N 2 2 366.384 0.561 20 0 FCADLP COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000608784531 492192973 /nfs/dbraw/zinc/19/29/73/492192973.db2.gz FTKIQSDSDHPYSY-HNNXBMFYSA-N 2 2 355.479 0.631 20 0 FCADLP COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000608784531 492192975 /nfs/dbraw/zinc/19/29/75/492192975.db2.gz FTKIQSDSDHPYSY-HNNXBMFYSA-N 2 2 355.479 0.631 20 0 FCADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000618307709 492222118 /nfs/dbraw/zinc/22/21/18/492222118.db2.gz QCOAPPDHBHNJBM-UHFFFAOYSA-N 2 2 371.485 0.952 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000610908371 492268916 /nfs/dbraw/zinc/26/89/16/492268916.db2.gz HOHBRGPUXQRQSN-GVDBMIGSSA-N 2 2 353.511 0.127 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000610908371 492268919 /nfs/dbraw/zinc/26/89/19/492268919.db2.gz HOHBRGPUXQRQSN-GVDBMIGSSA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000610908479 492269047 /nfs/dbraw/zinc/26/90/47/492269047.db2.gz VESBTJSYVYBMKK-OKZBNKHCSA-N 2 2 367.538 0.515 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000610908479 492269048 /nfs/dbraw/zinc/26/90/48/492269048.db2.gz VESBTJSYVYBMKK-OKZBNKHCSA-N 2 2 367.538 0.515 20 0 FCADLP CN(C)[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1c[nH+]cn1C ZINC000619968992 492284650 /nfs/dbraw/zinc/28/46/50/492284650.db2.gz PYXVQORRSLFPTE-ZACQAIPSSA-N 2 2 361.490 0.782 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[NH+]1CCOCC1 ZINC000619969143 492284840 /nfs/dbraw/zinc/28/48/40/492284840.db2.gz WYWACPYNADWFKN-HZPDHXFCSA-N 2 2 351.491 0.857 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641785224 492305199 /nfs/dbraw/zinc/30/51/99/492305199.db2.gz YYFQXOMEDZCSGQ-OAHLLOKOSA-N 2 2 350.467 0.016 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641785224 492305201 /nfs/dbraw/zinc/30/52/01/492305201.db2.gz YYFQXOMEDZCSGQ-OAHLLOKOSA-N 2 2 350.467 0.016 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000627478349 492314583 /nfs/dbraw/zinc/31/45/83/492314583.db2.gz LJLAMZDOTBTFAE-WMZOPIPTSA-N 2 2 358.486 0.896 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568524 492316505 /nfs/dbraw/zinc/31/65/05/492316505.db2.gz NWNHJQZJAHJRNW-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568524 492316507 /nfs/dbraw/zinc/31/65/07/492316507.db2.gz NWNHJQZJAHJRNW-QGZVFWFLSA-N 2 2 368.522 0.498 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627482131 492316940 /nfs/dbraw/zinc/31/69/40/492316940.db2.gz MQEIZLIIWCUSPA-JZXOWHBKSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627482131 492316941 /nfs/dbraw/zinc/31/69/41/492316941.db2.gz MQEIZLIIWCUSPA-JZXOWHBKSA-N 2 2 358.486 0.976 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCCS3(=O)=O)c2)CC1 ZINC000634193086 492324902 /nfs/dbraw/zinc/32/49/02/492324902.db2.gz BCAYRFIQKYCOAS-AWEZNQCLSA-N 2 2 352.460 0.739 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642079095 492332351 /nfs/dbraw/zinc/33/23/51/492332351.db2.gz LSVAYBQGAGRJQZ-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642079095 492332356 /nfs/dbraw/zinc/33/23/56/492332356.db2.gz LSVAYBQGAGRJQZ-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP C[C@H]1[C@H](C)N(C(=O)Cc2c[nH+]cn2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000620745608 492332727 /nfs/dbraw/zinc/33/27/27/492332727.db2.gz RNQUVZJVSIGRSX-KBPBESRZSA-N 2 2 358.446 0.387 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccn2cc[nH+]c2c1 ZINC000647644558 492340126 /nfs/dbraw/zinc/34/01/26/492340126.db2.gz DPAFXBJXFYUILP-INIZCTEOSA-N 2 2 371.441 0.986 20 0 FCADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651142 492340868 /nfs/dbraw/zinc/34/08/68/492340868.db2.gz BAZZJRJZIZPRCN-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647651142 492340872 /nfs/dbraw/zinc/34/08/72/492340872.db2.gz BAZZJRJZIZPRCN-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706524 492347373 /nfs/dbraw/zinc/34/73/73/492347373.db2.gz KVFZHZQNDHVTSQ-ZWKOTPCHSA-N 2 2 359.470 0.800 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327574 492351302 /nfs/dbraw/zinc/35/13/02/492351302.db2.gz NBOZGZCXCBCCML-CZUORRHYSA-N 2 2 360.458 0.348 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@H](C)[NH3+])[nH+]c12 ZINC000642353081 492354717 /nfs/dbraw/zinc/35/47/17/492354717.db2.gz WGYOKUUTVIGFRA-VIFPVBQESA-N 2 2 368.235 0.485 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000642381256 492356045 /nfs/dbraw/zinc/35/60/45/492356045.db2.gz QSFIATKFCZCQEH-CVEARBPZSA-N 2 2 355.442 0.836 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000642381257 492356542 /nfs/dbraw/zinc/35/65/42/492356542.db2.gz QSFIATKFCZCQEH-HOTGVXAUSA-N 2 2 355.442 0.836 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000647765353 492357064 /nfs/dbraw/zinc/35/70/64/492357064.db2.gz MFXXQYWFMYCDMG-IRXDYDNUSA-N 2 2 371.547 0.621 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]1 ZINC000642394776 492357313 /nfs/dbraw/zinc/35/73/13/492357313.db2.gz XTFFFEUKOWYZJA-BZUAXINKSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634699046 492360350 /nfs/dbraw/zinc/36/03/50/492360350.db2.gz DNYIHWNCTGEJOS-SFHVURJKSA-N 2 2 369.531 0.931 20 0 FCADLP CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 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CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])[C@H](C)C1 ZINC000642909485 492401370 /nfs/dbraw/zinc/40/13/70/492401370.db2.gz NZQAXZZPJMUICQ-HUUCEWRRSA-N 2 2 362.474 0.581 20 0 FCADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000642912387 492402441 /nfs/dbraw/zinc/40/24/41/492402441.db2.gz CKQWNBAOQRUEGR-GJZGRUSLSA-N 2 2 350.488 0.778 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621700597 492405986 /nfs/dbraw/zinc/40/59/86/492405986.db2.gz RORXIFVAQDXBKL-KSSFIOAISA-N 2 2 365.499 0.975 20 0 FCADLP [NH3+]C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCCC1 ZINC000648153659 492409971 /nfs/dbraw/zinc/40/99/71/492409971.db2.gz UMDXVMMAHUXSIK-HNNXBMFYSA-N 2 2 374.489 0.670 20 0 FCADLP [NH3+]C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCC1 ZINC000648153659 492409975 /nfs/dbraw/zinc/40/99/75/492409975.db2.gz UMDXVMMAHUXSIK-HNNXBMFYSA-N 2 2 374.489 0.670 20 0 FCADLP 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[NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000649335663 492537494 /nfs/dbraw/zinc/53/74/94/492537494.db2.gz QJUBFYOGMWHESS-SJORKVTESA-N 2 2 366.893 0.863 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077631 492539229 /nfs/dbraw/zinc/53/92/29/492539229.db2.gz RZRKRNWNCSMUQS-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077631 492539232 /nfs/dbraw/zinc/53/92/32/492539232.db2.gz RZRKRNWNCSMUQS-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077631 492539235 /nfs/dbraw/zinc/53/92/35/492539235.db2.gz RZRKRNWNCSMUQS-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077631 492539239 /nfs/dbraw/zinc/53/92/39/492539239.db2.gz RZRKRNWNCSMUQS-NCOADZHNSA-N 2 2 368.522 0.399 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)c2)CC1 ZINC000649351845 492544232 /nfs/dbraw/zinc/54/42/32/492544232.db2.gz YDDSUYATGSWRHL-QGZVFWFLSA-N 2 2 369.473 0.812 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649409736 492551019 /nfs/dbraw/zinc/55/10/19/492551019.db2.gz PIUMLQPYRUCJGU-UHFFFAOYSA-N 3 2 365.547 0.229 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649409736 492551024 /nfs/dbraw/zinc/55/10/24/492551024.db2.gz PIUMLQPYRUCJGU-UHFFFAOYSA-N 3 2 365.547 0.229 20 0 FCADLP Cn1cc(-c2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cs2)cn1 ZINC000649415820 492552697 /nfs/dbraw/zinc/55/26/97/492552697.db2.gz NNTWJSYQLRQFRB-HNNXBMFYSA-N 2 2 360.487 0.940 20 0 FCADLP Cn1cc(-c2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cs2)cn1 ZINC000649415820 492552699 /nfs/dbraw/zinc/55/26/99/492552699.db2.gz NNTWJSYQLRQFRB-HNNXBMFYSA-N 2 2 360.487 0.940 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCO1 ZINC000649410613 492552739 /nfs/dbraw/zinc/55/27/39/492552739.db2.gz KISWZJDYSSXLDS-ZBFHGGJFSA-N 2 2 352.504 0.440 20 0 FCADLP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000643774762 492554762 /nfs/dbraw/zinc/55/47/62/492554762.db2.gz OCYCZORPFCIHEB-INIZCTEOSA-N 2 2 358.421 0.910 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485739 492559410 /nfs/dbraw/zinc/55/94/10/492559410.db2.gz ZBBRHHVWLQAJDD-DLBZAZTESA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000623485739 492559413 /nfs/dbraw/zinc/55/94/13/492559413.db2.gz ZBBRHHVWLQAJDD-DLBZAZTESA-N 2 2 366.506 0.014 20 0 FCADLP O=C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)NCC[NH+]1CCCCCC1 ZINC000656259576 492566336 /nfs/dbraw/zinc/56/63/36/492566336.db2.gz ANCLBFTXIQLJLC-GOSISDBHSA-N 3 2 352.523 0.822 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000636253523 492570241 /nfs/dbraw/zinc/57/02/41/492570241.db2.gz LZQVENCOEZJNQW-LJQANCHMSA-N 2 2 351.491 0.594 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000636253523 492570246 /nfs/dbraw/zinc/57/02/46/492570246.db2.gz LZQVENCOEZJNQW-LJQANCHMSA-N 2 2 351.491 0.594 20 0 FCADLP CCOC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638968 492577659 /nfs/dbraw/zinc/57/76/59/492577659.db2.gz ZLALQUXVOUUQJD-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CCOC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000623638968 492577663 /nfs/dbraw/zinc/57/76/63/492577663.db2.gz ZLALQUXVOUUQJD-NVXWUHKLSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000636315610 492580024 /nfs/dbraw/zinc/58/00/24/492580024.db2.gz NENQHTZCGLXGKV-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000636315610 492580030 /nfs/dbraw/zinc/58/00/30/492580030.db2.gz NENQHTZCGLXGKV-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000636316994 492580619 /nfs/dbraw/zinc/58/06/19/492580619.db2.gz FMWJOWYYXVOYMU-QGZVFWFLSA-N 2 2 359.474 0.278 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000636316994 492580620 /nfs/dbraw/zinc/58/06/20/492580620.db2.gz FMWJOWYYXVOYMU-QGZVFWFLSA-N 2 2 359.474 0.278 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636316875 492581117 /nfs/dbraw/zinc/58/11/17/492581117.db2.gz ADCDPQUGSPTSCW-GOSISDBHSA-N 2 2 374.485 0.120 20 0 FCADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636316875 492581121 /nfs/dbraw/zinc/58/11/21/492581121.db2.gz ADCDPQUGSPTSCW-GOSISDBHSA-N 2 2 374.485 0.120 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000636456786 492591024 /nfs/dbraw/zinc/59/10/24/492591024.db2.gz JRROSPGLJWMWHJ-UHFFFAOYSA-N 2 2 363.462 0.519 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460139 492591702 /nfs/dbraw/zinc/59/17/02/492591702.db2.gz AJTLPEQKEJRTEU-GJZGRUSLSA-N 2 2 368.503 0.487 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460139 492591705 /nfs/dbraw/zinc/59/17/05/492591705.db2.gz AJTLPEQKEJRTEU-GJZGRUSLSA-N 2 2 368.503 0.487 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000623783756 492595071 /nfs/dbraw/zinc/59/50/71/492595071.db2.gz SWUKSKHKMAQEPP-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000623783756 492595074 /nfs/dbraw/zinc/59/50/74/492595074.db2.gz SWUKSKHKMAQEPP-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP Nc1nc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)nc(N)[nH+]1 ZINC000623892950 492604790 /nfs/dbraw/zinc/60/47/90/492604790.db2.gz AOJYAVSDWXPTAD-UHFFFAOYSA-N 2 2 362.869 0.396 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656358936 492613115 /nfs/dbraw/zinc/61/31/15/492613115.db2.gz NIDVXMPDRFWLHY-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656358936 492613119 /nfs/dbraw/zinc/61/31/19/492613119.db2.gz NIDVXMPDRFWLHY-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656358936 492613121 /nfs/dbraw/zinc/61/31/21/492613121.db2.gz NIDVXMPDRFWLHY-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656358936 492613125 /nfs/dbraw/zinc/61/31/25/492613125.db2.gz NIDVXMPDRFWLHY-JKSUJKDBSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000650188028 492620972 /nfs/dbraw/zinc/62/09/72/492620972.db2.gz ZKSCUOYASPEMCX-CRAIPNDOSA-N 2 2 359.470 0.721 20 0 FCADLP C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000650188028 492620977 /nfs/dbraw/zinc/62/09/77/492620977.db2.gz ZKSCUOYASPEMCX-CRAIPNDOSA-N 2 2 359.470 0.721 20 0 FCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624228640 492629093 /nfs/dbraw/zinc/62/90/93/492629093.db2.gz XWLNHMUXFLBTDQ-RHSMWYFYSA-N 2 2 353.488 0.944 20 0 FCADLP CC(C)(C)n1ncc2c1nc(N1CCCC[C@@H]1CNC(=O)CC[NH3+])[nH+]c2N ZINC000656605961 492636303 /nfs/dbraw/zinc/63/63/03/492636303.db2.gz HVBAHCYIPOLXFX-GFCCVEGCSA-N 2 2 374.493 0.987 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699699 492642896 /nfs/dbraw/zinc/64/28/96/492642896.db2.gz SWOZXTBRLSNZAE-JKSUJKDBSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656699699 492642901 /nfs/dbraw/zinc/64/29/01/492642901.db2.gz SWOZXTBRLSNZAE-JKSUJKDBSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000656699699 492642907 /nfs/dbraw/zinc/64/29/07/492642907.db2.gz SWOZXTBRLSNZAE-JKSUJKDBSA-N 2 2 369.510 0.986 20 0 FCADLP CO[C@@H](C)c1noc(CN2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000656699699 492642910 /nfs/dbraw/zinc/64/29/10/492642910.db2.gz SWOZXTBRLSNZAE-JKSUJKDBSA-N 2 2 369.510 0.986 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000636634704 492644678 /nfs/dbraw/zinc/64/46/78/492644678.db2.gz BYJFNLHYUWXUSA-CQSZACIVSA-N 2 2 355.442 0.931 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000636634704 492644682 /nfs/dbraw/zinc/64/46/82/492644682.db2.gz BYJFNLHYUWXUSA-CQSZACIVSA-N 2 2 355.442 0.931 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000636634703 492644995 /nfs/dbraw/zinc/64/49/95/492644995.db2.gz BYJFNLHYUWXUSA-AWEZNQCLSA-N 2 2 355.442 0.931 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000636634703 492644999 /nfs/dbraw/zinc/64/49/99/492644999.db2.gz BYJFNLHYUWXUSA-AWEZNQCLSA-N 2 2 355.442 0.931 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)s1 ZINC000629571125 492648678 /nfs/dbraw/zinc/64/86/78/492648678.db2.gz QFDFPGIWKMZLDX-AWEZNQCLSA-N 2 2 361.533 0.690 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668686 492654926 /nfs/dbraw/zinc/65/49/26/492654926.db2.gz PLZSUIBKSAORCY-RDJZCZTQSA-N 2 2 369.469 0.921 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000636668686 492654929 /nfs/dbraw/zinc/65/49/29/492654929.db2.gz PLZSUIBKSAORCY-RDJZCZTQSA-N 2 2 369.469 0.921 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000629605593 492658572 /nfs/dbraw/zinc/65/85/72/492658572.db2.gz KNVSAPIWQKQCCU-PBHICJAKSA-N 2 2 360.458 0.837 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000629605593 492658575 /nfs/dbraw/zinc/65/85/75/492658575.db2.gz KNVSAPIWQKQCCU-PBHICJAKSA-N 2 2 360.458 0.837 20 0 FCADLP COC1CCN(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000656881542 492658860 /nfs/dbraw/zinc/65/88/60/492658860.db2.gz WWSMFKRTKCLSIT-UHFFFAOYSA-N 2 2 362.540 0.300 20 0 FCADLP COC1CCN(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000656881542 492658862 /nfs/dbraw/zinc/65/88/62/492658862.db2.gz WWSMFKRTKCLSIT-UHFFFAOYSA-N 2 2 362.540 0.300 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000650669845 492660180 /nfs/dbraw/zinc/66/01/80/492660180.db2.gz QHIKPPRWSCWADB-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000650669845 492660181 /nfs/dbraw/zinc/66/01/81/492660181.db2.gz QHIKPPRWSCWADB-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000629661747 492662522 /nfs/dbraw/zinc/66/25/22/492662522.db2.gz CGINLLVTDOOMAS-KRWDZBQOSA-N 3 2 352.523 0.761 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650752068 492665531 /nfs/dbraw/zinc/66/55/31/492665531.db2.gz INXFYOIRPYNRIU-OAHLLOKOSA-N 2 2 359.405 0.972 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650752068 492665536 /nfs/dbraw/zinc/66/55/36/492665536.db2.gz INXFYOIRPYNRIU-OAHLLOKOSA-N 2 2 359.405 0.972 20 0 FCADLP CC[C@]1(O)CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707616 492667645 /nfs/dbraw/zinc/66/76/45/492667645.db2.gz PNXIGJLEXCFXGZ-KXBFYZLASA-N 2 2 366.506 0.035 20 0 FCADLP CC[C@]1(O)CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636707616 492667649 /nfs/dbraw/zinc/66/76/49/492667649.db2.gz PNXIGJLEXCFXGZ-KXBFYZLASA-N 2 2 366.506 0.035 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000636708320 492668233 /nfs/dbraw/zinc/66/82/33/492668233.db2.gz KLISQKLVXQLHLA-LSDHHAIUSA-N 2 2 365.478 0.621 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000636708320 492668235 /nfs/dbraw/zinc/66/82/35/492668235.db2.gz KLISQKLVXQLHLA-LSDHHAIUSA-N 2 2 365.478 0.621 20 0 FCADLP C[NH+]1CCC(CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636727767 492673248 /nfs/dbraw/zinc/67/32/48/492673248.db2.gz SUSDYTKSXGKKAV-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC(CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636727767 492673251 /nfs/dbraw/zinc/67/32/51/492673251.db2.gz SUSDYTKSXGKKAV-LJQANCHMSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@@]3(O)CCCOC3)C2)CC1 ZINC000650876729 492679945 /nfs/dbraw/zinc/67/99/45/492679945.db2.gz FBFVGIOCLUSREK-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@@]3(O)CCCOC3)C2)CC1 ZINC000650876729 492679947 /nfs/dbraw/zinc/67/99/47/492679947.db2.gz FBFVGIOCLUSREK-YJBOKZPZSA-N 2 2 354.495 0.386 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000650955848 492687212 /nfs/dbraw/zinc/68/72/12/492687212.db2.gz GYQFIGUEOLDLJU-QGZVFWFLSA-N 2 2 374.551 0.414 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000629816429 492687251 /nfs/dbraw/zinc/68/72/51/492687251.db2.gz VSJISRWAIFIMKK-WMZOPIPTSA-N 2 2 373.501 0.743 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636788931 492693476 /nfs/dbraw/zinc/69/34/76/492693476.db2.gz CMYYUFVOOBFHIU-KBXCAEBGSA-N 2 2 352.479 0.138 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000636788931 492693478 /nfs/dbraw/zinc/69/34/78/492693478.db2.gz CMYYUFVOOBFHIU-KBXCAEBGSA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636788931 492693479 /nfs/dbraw/zinc/69/34/79/492693479.db2.gz CMYYUFVOOBFHIU-KBXCAEBGSA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636788931 492693482 /nfs/dbraw/zinc/69/34/82/492693482.db2.gz CMYYUFVOOBFHIU-KBXCAEBGSA-N 2 2 352.479 0.138 20 0 FCADLP CC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636792194 492694190 /nfs/dbraw/zinc/69/41/90/492694190.db2.gz PZQCQMXPVMNIRY-SJLPKXTDSA-N 2 2 365.522 0.855 20 0 FCADLP CC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636792194 492694193 /nfs/dbraw/zinc/69/41/93/492694193.db2.gz PZQCQMXPVMNIRY-SJLPKXTDSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000636813877 492701973 /nfs/dbraw/zinc/70/19/73/492701973.db2.gz JAOFHLFGRMLSBQ-HNAYVOBHSA-N 2 2 368.522 0.632 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)C1CC[NH+](C)CC1 ZINC000636813877 492701977 /nfs/dbraw/zinc/70/19/77/492701977.db2.gz JAOFHLFGRMLSBQ-HNAYVOBHSA-N 2 2 368.522 0.632 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629959002 492708679 /nfs/dbraw/zinc/70/86/79/492708679.db2.gz ZGQCQFDUNUITQI-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629959002 492708684 /nfs/dbraw/zinc/70/86/84/492708684.db2.gz ZGQCQFDUNUITQI-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000657450935 492752513 /nfs/dbraw/zinc/75/25/13/492752513.db2.gz NCWMUCRNFYXETN-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000657450935 492752516 /nfs/dbraw/zinc/75/25/16/492752516.db2.gz NCWMUCRNFYXETN-SFHVURJKSA-N 2 2 358.486 0.883 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2[nH+]1 ZINC000657719249 492783007 /nfs/dbraw/zinc/78/30/07/492783007.db2.gz XTAYQDLCUXQXRF-HNNXBMFYSA-N 2 2 371.441 0.762 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2[nH+]1 ZINC000657719250 492783204 /nfs/dbraw/zinc/78/32/04/492783204.db2.gz XTAYQDLCUXQXRF-OAHLLOKOSA-N 2 2 371.441 0.762 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644558407 492784410 /nfs/dbraw/zinc/78/44/10/492784410.db2.gz SKKOOKOZYLFMAD-IBGZPJMESA-N 2 2 362.518 0.622 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644558407 492784413 /nfs/dbraw/zinc/78/44/13/492784413.db2.gz SKKOOKOZYLFMAD-IBGZPJMESA-N 2 2 362.518 0.622 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COc1ccc(F)cc1 ZINC000644569153 492785440 /nfs/dbraw/zinc/78/54/40/492785440.db2.gz PVGOEIRCZOTFQG-ROUUACIJSA-N 2 2 367.465 0.562 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743921 492787297 /nfs/dbraw/zinc/78/72/97/492787297.db2.gz DOKZSWHUQMVNPQ-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657743921 492787298 /nfs/dbraw/zinc/78/72/98/492787298.db2.gz DOKZSWHUQMVNPQ-IRXDYDNUSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000657745441 492789237 /nfs/dbraw/zinc/78/92/37/492789237.db2.gz QPEKUQWNNOZPKW-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cc2[nH+]1 ZINC000657810608 492798700 /nfs/dbraw/zinc/79/87/00/492798700.db2.gz FPBMICKHFOQDCY-AWEZNQCLSA-N 2 2 373.457 0.885 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc2[nH+]1 ZINC000657810608 492798705 /nfs/dbraw/zinc/79/87/05/492798705.db2.gz FPBMICKHFOQDCY-AWEZNQCLSA-N 2 2 373.457 0.885 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000631104683 492798774 /nfs/dbraw/zinc/79/87/74/492798774.db2.gz FWVFDWBNBQEWQO-OAHLLOKOSA-N 2 2 356.488 0.920 20 0 FCADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)NCCF ZINC000631129185 492799835 /nfs/dbraw/zinc/79/98/35/492799835.db2.gz XMZBTNXRGPXKPG-HNNXBMFYSA-N 2 2 353.438 0.961 20 0 FCADLP CCn1ncc(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000657842538 492802648 /nfs/dbraw/zinc/80/26/48/492802648.db2.gz CBQRCCMOVGYVQS-AWEZNQCLSA-N 2 2 362.478 0.435 20 0 FCADLP CCn1ncc(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000657842538 492802650 /nfs/dbraw/zinc/80/26/50/492802650.db2.gz CBQRCCMOVGYVQS-AWEZNQCLSA-N 2 2 362.478 0.435 20 0 FCADLP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000657873540 492807248 /nfs/dbraw/zinc/80/72/48/492807248.db2.gz JYICVGHSSGBMJI-UHFFFAOYSA-N 2 2 368.441 0.860 20 0 FCADLP O=C(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873138 492807824 /nfs/dbraw/zinc/80/78/24/492807824.db2.gz DAJOXJKEHMWNSY-HNNXBMFYSA-N 2 2 368.441 0.860 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)CC1 ZINC000631624468 492826167 /nfs/dbraw/zinc/82/61/67/492826167.db2.gz HQLIXBVTOVJYPF-LJQANCHMSA-N 2 2 360.458 0.918 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000645000924 492837324 /nfs/dbraw/zinc/83/73/24/492837324.db2.gz PUIFBSXPWWSEIJ-DOTOQJQBSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000645000924 492837328 /nfs/dbraw/zinc/83/73/28/492837328.db2.gz PUIFBSXPWWSEIJ-DOTOQJQBSA-N 2 2 362.478 0.773 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680876 492858678 /nfs/dbraw/zinc/85/86/78/492858678.db2.gz ZYUZYYOPLNJRJB-HNNXBMFYSA-N 2 2 365.503 0.501 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680876 492858680 /nfs/dbraw/zinc/85/86/80/492858680.db2.gz ZYUZYYOPLNJRJB-HNNXBMFYSA-N 2 2 365.503 0.501 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000645066616 492859175 /nfs/dbraw/zinc/85/91/75/492859175.db2.gz PRBJQMDNQFKZRG-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000645066616 492859177 /nfs/dbraw/zinc/85/91/77/492859177.db2.gz PRBJQMDNQFKZRG-OAGGEKHMSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000631851251 492863501 /nfs/dbraw/zinc/86/35/01/492863501.db2.gz UGKVPDWTERYSTG-UHFFFAOYSA-N 2 2 355.508 0.487 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856774 492864500 /nfs/dbraw/zinc/86/45/00/492864500.db2.gz AQCYADPYQIBXFU-HUUCEWRRSA-N 2 2 369.487 0.508 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000631856774 492864505 /nfs/dbraw/zinc/86/45/05/492864505.db2.gz AQCYADPYQIBXFU-HUUCEWRRSA-N 2 2 369.487 0.508 20 0 FCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NCc1cccc(C(=O)NC2CC2)c1 ZINC000631869172 492866594 /nfs/dbraw/zinc/86/65/94/492866594.db2.gz UQZANLWLPUTSDS-UZLBHIALSA-N 2 2 356.470 0.927 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000645202311 492877427 /nfs/dbraw/zinc/87/74/27/492877427.db2.gz HVABQYCWZQZYAK-KRWDZBQOSA-N 2 2 360.458 0.078 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1=O ZINC000652162480 492889877 /nfs/dbraw/zinc/88/98/77/492889877.db2.gz QNRKRVHCCAHZBY-INIZCTEOSA-N 2 2 359.474 0.573 20 0 FCADLP C[N@H+](CCN1CCN(Cc2c[nH+]c(N)nc2N)CC1)Cc1ccccc1 ZINC000638031773 492892903 /nfs/dbraw/zinc/89/29/03/492892903.db2.gz AIAAWOGTJZAOCN-UHFFFAOYSA-N 2 2 355.490 0.551 20 0 FCADLP C[N@@H+](CCN1CCN(Cc2c[nH+]c(N)nc2N)CC1)Cc1ccccc1 ZINC000638031773 492892907 /nfs/dbraw/zinc/89/29/07/492892907.db2.gz AIAAWOGTJZAOCN-UHFFFAOYSA-N 2 2 355.490 0.551 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000631944949 492895185 /nfs/dbraw/zinc/89/51/85/492895185.db2.gz LDJZXKJZNQUERG-UHFFFAOYSA-N 3 2 368.547 0.851 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000638055311 492897348 /nfs/dbraw/zinc/89/73/48/492897348.db2.gz KJJJIZZOVBKLFC-PXNSSMCTSA-N 2 2 374.485 0.973 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638063943 492898996 /nfs/dbraw/zinc/89/89/96/492898996.db2.gz YBAFCDRCCURINF-MAUKXSAKSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638063943 492899000 /nfs/dbraw/zinc/89/90/00/492899000.db2.gz YBAFCDRCCURINF-MAUKXSAKSA-N 2 2 354.495 0.156 20 0 FCADLP COc1cc(OC)cc([C@@H](NC(=O)CN2CC[NH2+]CC2)c2[nH+]ccn2C)c1 ZINC000638060011 492899041 /nfs/dbraw/zinc/89/90/41/492899041.db2.gz XQVCPBRKHFTTHK-GOSISDBHSA-N 2 2 373.457 0.548 20 0 FCADLP CC[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000638081256 492902562 /nfs/dbraw/zinc/90/25/62/492902562.db2.gz KFANQCZZWHETBG-CYBMUJFWSA-N 2 2 354.476 0.559 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000658458939 492902702 /nfs/dbraw/zinc/90/27/02/492902702.db2.gz OOSGECZUGYJIBB-KRWDZBQOSA-N 2 2 364.490 0.006 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC000638089818 492903566 /nfs/dbraw/zinc/90/35/66/492903566.db2.gz DPMALVDKLFAYBG-NSHDSACASA-N 2 2 372.420 0.591 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCO1 ZINC000638089818 492903571 /nfs/dbraw/zinc/90/35/71/492903571.db2.gz DPMALVDKLFAYBG-NSHDSACASA-N 2 2 372.420 0.591 20 0 FCADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353475 492914504 /nfs/dbraw/zinc/91/45/04/492914504.db2.gz LMMZMTXYGXECPS-IUODEOHRSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353475 492914507 /nfs/dbraw/zinc/91/45/07/492914507.db2.gz LMMZMTXYGXECPS-IUODEOHRSA-N 2 2 354.476 0.722 20 0 FCADLP C[C@H](CNC(=O)c1cnc(C[NH3+])nc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000638138241 492917130 /nfs/dbraw/zinc/91/71/30/492917130.db2.gz YQGINODNASGUQH-OAHLLOKOSA-N 2 2 354.458 0.876 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000652388081 492921237 /nfs/dbraw/zinc/92/12/37/492921237.db2.gz QPVVMWKTDTVURV-UHFFFAOYSA-N 2 2 359.474 0.675 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000632087006 492926547 /nfs/dbraw/zinc/92/65/47/492926547.db2.gz MJUSNTZIDLBBSY-OAHLLOKOSA-N 2 2 355.508 0.904 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1C[NH+](C)C ZINC000658536183 492935609 /nfs/dbraw/zinc/93/56/09/492935609.db2.gz LFMGLQPZQKQGNT-SFHVURJKSA-N 2 2 374.485 0.928 20 0 FCADLP CC[C@@](C)(C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000638369433 492940355 /nfs/dbraw/zinc/94/03/55/492940355.db2.gz AMWVZDUQHHDPRU-KRWDZBQOSA-N 2 2 370.519 0.938 20 0 FCADLP CO[C@@H](C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000638369557 492940546 /nfs/dbraw/zinc/94/05/46/492940546.db2.gz CMONLXNCSHZXCB-INIZCTEOSA-N 2 2 368.503 0.548 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638398259 492943463 /nfs/dbraw/zinc/94/34/63/492943463.db2.gz UKNXGNAYQWEYEC-SFHVURJKSA-N 2 2 365.474 0.372 20 0 FCADLP CO[C@@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000638453587 492948210 /nfs/dbraw/zinc/94/82/10/492948210.db2.gz FYEAMRMEOSNUFV-SJORKVTESA-N 2 2 362.474 0.761 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)CCC(=O)N1C1CC1 ZINC000638449394 492948396 /nfs/dbraw/zinc/94/83/96/492948396.db2.gz PDRXVKIOPHAERR-AZOIQLNYSA-N 2 2 359.474 0.978 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@H+](CC)[C@@H](C)C2)[C@@H]1c1[nH+]ccn1C ZINC000626260344 492953943 /nfs/dbraw/zinc/95/39/43/492953943.db2.gz HXVZLQSVYFILRU-NUEKZKHPSA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)[C@@H]1c1[nH+]ccn1C ZINC000626260344 492953948 /nfs/dbraw/zinc/95/39/48/492953948.db2.gz HXVZLQSVYFILRU-NUEKZKHPSA-N 2 2 363.462 0.261 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000638487911 492956112 /nfs/dbraw/zinc/95/61/12/492956112.db2.gz CTNCQDQLANOWCB-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000638605013 492964616 /nfs/dbraw/zinc/96/46/16/492964616.db2.gz NLGHDOAPPZXUDC-QWHCGFSZSA-N 2 2 356.829 0.980 20 0 FCADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000632310051 492970068 /nfs/dbraw/zinc/97/00/68/492970068.db2.gz DANBLEZGNUCPAG-QGZVFWFLSA-N 2 2 359.536 0.846 20 0 FCADLP C[C@H](C(=O)N(C)CCOCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638675566 492971394 /nfs/dbraw/zinc/97/13/94/492971394.db2.gz WFTLSAQOTBNXJI-OAHLLOKOSA-N 2 2 352.454 0.770 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@H]3CCOC3)CC2)CC1 ZINC000645774921 492974241 /nfs/dbraw/zinc/97/42/41/492974241.db2.gz ZGLHJKJNZBSYDL-INIZCTEOSA-N 2 2 359.536 0.845 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@H]3CCOC3)CC2)CC1 ZINC000645774921 492974245 /nfs/dbraw/zinc/97/42/45/492974245.db2.gz ZGLHJKJNZBSYDL-INIZCTEOSA-N 2 2 359.536 0.845 20 0 FCADLP CO[C@H](C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000638870977 492983500 /nfs/dbraw/zinc/98/35/00/492983500.db2.gz ICDWHQUJFHSAEL-MOPGFXCFSA-N 2 2 361.486 0.767 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003307 492991691 /nfs/dbraw/zinc/99/16/91/492991691.db2.gz GLEXCHDUGZPOCH-SFHVURJKSA-N 2 2 355.442 0.872 20 0 FCADLP COC[C@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[NH2+]C1 ZINC000638991046 492991766 /nfs/dbraw/zinc/99/17/66/492991766.db2.gz VMTMVLSJWNQTKZ-KRWDZBQOSA-N 2 2 350.488 0.877 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652697531 492993017 /nfs/dbraw/zinc/99/30/17/492993017.db2.gz HEWFDVMTZTYRMD-ZWKOTPCHSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000652697531 492993019 /nfs/dbraw/zinc/99/30/19/492993019.db2.gz HEWFDVMTZTYRMD-ZWKOTPCHSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](CO)O1 ZINC000639092799 492996256 /nfs/dbraw/zinc/99/62/56/492996256.db2.gz CIBYMHINQDJDIA-QFBILLFUSA-N 2 2 350.459 0.979 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](CO)O1 ZINC000639092799 492996259 /nfs/dbraw/zinc/99/62/59/492996259.db2.gz CIBYMHINQDJDIA-QFBILLFUSA-N 2 2 350.459 0.979 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009533 493001284 /nfs/dbraw/zinc/00/12/84/493001284.db2.gz QOUHUUWDLXXSJE-CXAGYDPISA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1c(F)cccc1F ZINC000646009533 493001289 /nfs/dbraw/zinc/00/12/89/493001289.db2.gz QOUHUUWDLXXSJE-CXAGYDPISA-N 2 2 368.428 0.487 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000632458039 493002061 /nfs/dbraw/zinc/00/20/61/493002061.db2.gz UVTFMLKAMUGEFA-RBSFLKMASA-N 2 2 363.462 0.468 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(S(N)(=O)=O)o3)CC2)CC1 ZINC000639277055 493004703 /nfs/dbraw/zinc/00/47/03/493004703.db2.gz RSMVZAQIPBGFAQ-UHFFFAOYSA-N 2 2 370.519 0.919 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(S(N)(=O)=O)o3)CC2)CC1 ZINC000639277055 493004707 /nfs/dbraw/zinc/00/47/07/493004707.db2.gz RSMVZAQIPBGFAQ-UHFFFAOYSA-N 2 2 370.519 0.919 20 0 FCADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000639344515 493006740 /nfs/dbraw/zinc/00/67/40/493006740.db2.gz WCGJZPSJRSJMPP-IBGZPJMESA-N 2 2 350.459 0.981 20 0 FCADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000639344515 493006743 /nfs/dbraw/zinc/00/67/43/493006743.db2.gz WCGJZPSJRSJMPP-IBGZPJMESA-N 2 2 350.459 0.981 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000632491533 493010241 /nfs/dbraw/zinc/01/02/41/493010241.db2.gz JUFROUJYGRJJKZ-INIZCTEOSA-N 2 2 362.474 0.831 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000632491533 493010244 /nfs/dbraw/zinc/01/02/44/493010244.db2.gz JUFROUJYGRJJKZ-INIZCTEOSA-N 2 2 362.474 0.831 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000652736596 493011988 /nfs/dbraw/zinc/01/19/88/493011988.db2.gz JLBSCBGXNRHHPT-HGHGUNKESA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000652736596 493011993 /nfs/dbraw/zinc/01/19/93/493011993.db2.gz JLBSCBGXNRHHPT-HGHGUNKESA-N 2 2 372.513 0.815 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736847 493013266 /nfs/dbraw/zinc/01/32/66/493013266.db2.gz QYTQMFWGWFMETG-ZWKOTPCHSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652736847 493013268 /nfs/dbraw/zinc/01/32/68/493013268.db2.gz QYTQMFWGWFMETG-ZWKOTPCHSA-N 2 2 358.486 0.582 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485306 493013426 /nfs/dbraw/zinc/01/34/26/493013426.db2.gz OXBWRMLNVVPISD-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485306 493013428 /nfs/dbraw/zinc/01/34/28/493013428.db2.gz OXBWRMLNVVPISD-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639485306 493013432 /nfs/dbraw/zinc/01/34/32/493013432.db2.gz OXBWRMLNVVPISD-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639485306 493013434 /nfs/dbraw/zinc/01/34/34/493013434.db2.gz OXBWRMLNVVPISD-MSOLQXFVSA-N 2 2 367.515 0.637 20 0 FCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000639509980 493015280 /nfs/dbraw/zinc/01/52/80/493015280.db2.gz RTXLCECZDLUYNE-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000639509980 493015283 /nfs/dbraw/zinc/01/52/83/493015283.db2.gz RTXLCECZDLUYNE-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000646138558 493017879 /nfs/dbraw/zinc/01/78/79/493017879.db2.gz LQGZBNPAFLRTTP-UONOGXRCSA-N 2 2 361.895 0.821 20 0 FCADLP Cc1cccn2cc(CCNC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)[nH+]c12 ZINC000646138412 493018318 /nfs/dbraw/zinc/01/83/18/493018318.db2.gz JMYUHVSCFDCXOE-AWEZNQCLSA-N 2 2 353.430 0.959 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000626878980 493044494 /nfs/dbraw/zinc/04/44/94/493044494.db2.gz CJLDZEJCVFCGSS-AWEZNQCLSA-N 2 2 356.382 0.917 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646364541 493044847 /nfs/dbraw/zinc/04/48/47/493044847.db2.gz SKMDGHITOOZAEX-LJQANCHMSA-N 2 2 358.486 0.639 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851262 493056001 /nfs/dbraw/zinc/05/60/01/493056001.db2.gz JYRZWPOBICTQEL-PKOBYXMFSA-N 2 2 363.458 0.275 20 0 FCADLP C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639851262 493056003 /nfs/dbraw/zinc/05/60/03/493056003.db2.gz JYRZWPOBICTQEL-PKOBYXMFSA-N 2 2 363.458 0.275 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000658800973 493058890 /nfs/dbraw/zinc/05/88/90/493058890.db2.gz DIDOESZVLBNDKM-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000658800973 493058891 /nfs/dbraw/zinc/05/88/91/493058891.db2.gz DIDOESZVLBNDKM-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658800973 493058892 /nfs/dbraw/zinc/05/88/92/493058892.db2.gz DIDOESZVLBNDKM-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@@H]1CC[NH+](C)C1 ZINC000658800973 493058893 /nfs/dbraw/zinc/05/88/93/493058893.db2.gz DIDOESZVLBNDKM-MOPGFXCFSA-N 2 2 372.513 0.924 20 0 FCADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000626919794 493062449 /nfs/dbraw/zinc/06/24/49/493062449.db2.gz NWGLXRHGIMBORS-ZIAGYGMSSA-N 2 2 354.476 0.409 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000626924578 493063403 /nfs/dbraw/zinc/06/34/03/493063403.db2.gz AOLGRSKZZLHCMC-MSOLQXFVSA-N 2 2 362.474 0.656 20 0 FCADLP CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058160 493065509 /nfs/dbraw/zinc/06/55/09/493065509.db2.gz HEKQTCNDDNDJSN-ZDUSSCGKSA-N 2 2 371.507 0.586 20 0 FCADLP CCOc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000653061324 493065573 /nfs/dbraw/zinc/06/55/73/493065573.db2.gz LKMXAAIIETVUCL-CYBMUJFWSA-N 2 2 372.491 0.553 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000653065070 493065641 /nfs/dbraw/zinc/06/56/41/493065641.db2.gz RSQLIVSVVMPKHS-HNNXBMFYSA-N 2 2 352.866 0.903 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000653069899 493066210 /nfs/dbraw/zinc/06/62/10/493066210.db2.gz BRHIFPMUKCNTNR-MRXNPFEDSA-N 2 2 368.441 0.762 20 0 FCADLP C[C@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000626933900 493066379 /nfs/dbraw/zinc/06/63/79/493066379.db2.gz PLPGSBRPYYSCSM-WBVHZDCISA-N 2 2 354.495 0.507 20 0 FCADLP Cc1ccc([C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000626944438 493069394 /nfs/dbraw/zinc/06/93/94/493069394.db2.gz QQVHSINIYGKJDB-SFHVURJKSA-N 2 2 364.490 0.985 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000653098333 493069443 /nfs/dbraw/zinc/06/94/43/493069443.db2.gz KCIQHJCQOYLQIN-DGCLKSJQSA-N 2 2 374.279 0.584 20 0 FCADLP Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653097777 493069843 /nfs/dbraw/zinc/06/98/43/493069843.db2.gz UJHCJJFBVSIVCB-OAHLLOKOSA-N 2 2 356.492 0.011 20 0 FCADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000653094857 493069862 /nfs/dbraw/zinc/06/98/62/493069862.db2.gz SLHOCWHVKWTGCU-ZDUSSCGKSA-N 2 2 370.475 0.353 20 0 FCADLP Cc1cccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCOCC2)c1 ZINC000653109742 493071811 /nfs/dbraw/zinc/07/18/11/493071811.db2.gz LFRGQEOGTHIYIN-BJLQDIEVSA-N 2 2 359.470 0.721 20 0 FCADLP C[NH+](C)CC[C@@H](N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000653107627 493071962 /nfs/dbraw/zinc/07/19/62/493071962.db2.gz QTYZUNSIRJAOLK-QGZVFWFLSA-N 2 2 361.490 0.485 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000653107627 493071965 /nfs/dbraw/zinc/07/19/65/493071965.db2.gz QTYZUNSIRJAOLK-QGZVFWFLSA-N 3 2 361.490 0.485 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626971969 493072001 /nfs/dbraw/zinc/07/20/01/493072001.db2.gz CUNBMSXETSKIQY-RDBSUJKOSA-N 2 2 365.444 0.791 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)C1 ZINC000653116755 493072523 /nfs/dbraw/zinc/07/25/23/493072523.db2.gz QZTOIGQGUKTYTF-IXDOHACOSA-N 2 2 367.538 0.105 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)c1 ZINC000653153602 493078436 /nfs/dbraw/zinc/07/84/36/493078436.db2.gz UUFCRKSZDCFOOR-SFHVURJKSA-N 2 2 364.490 0.497 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000653148143 493078499 /nfs/dbraw/zinc/07/84/99/493078499.db2.gz PHGRCLAWAPTFAS-CYBMUJFWSA-N 2 2 370.475 0.394 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000653154718 493078970 /nfs/dbraw/zinc/07/89/70/493078970.db2.gz ZBPFWIIWJNQGMI-UONOGXRCSA-N 2 2 372.391 0.984 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)c2)CC1 ZINC000653155380 493078997 /nfs/dbraw/zinc/07/89/97/493078997.db2.gz RFXRLFCEBVAAMQ-PXNSSMCTSA-N 2 2 372.469 0.525 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653154814 493079196 /nfs/dbraw/zinc/07/91/96/493079196.db2.gz AIJDEYKCKFBGOW-SFHVURJKSA-N 2 2 361.490 0.568 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653154814 493079199 /nfs/dbraw/zinc/07/91/99/493079199.db2.gz AIJDEYKCKFBGOW-SFHVURJKSA-N 3 2 361.490 0.568 20 0 FCADLP COc1ccc(COC[C@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049371 493079668 /nfs/dbraw/zinc/07/96/68/493079668.db2.gz LYXIYPGCWCFMNJ-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP COc1ccc(COC[C@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049371 493079669 /nfs/dbraw/zinc/07/96/69/493079669.db2.gz LYXIYPGCWCFMNJ-QGZVFWFLSA-N 2 2 365.474 0.279 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000653160104 493079949 /nfs/dbraw/zinc/07/99/49/493079949.db2.gz YGKKKABEWCFBGR-CABCVRRESA-N 2 2 359.430 0.916 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653160402 493080159 /nfs/dbraw/zinc/08/01/59/493080159.db2.gz HPIJNYOVEOWXBP-OVWQWFNUSA-N 2 2 365.453 0.027 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653160402 493080163 /nfs/dbraw/zinc/08/01/63/493080163.db2.gz HPIJNYOVEOWXBP-OVWQWFNUSA-N 2 2 365.453 0.027 20 0 FCADLP CCN1C[C@H](CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1=O ZINC000653250884 493086157 /nfs/dbraw/zinc/08/61/57/493086157.db2.gz LFXPZUPDXZQOQN-WMZOPIPTSA-N 2 2 369.469 0.786 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000653352579 493097362 /nfs/dbraw/zinc/09/73/62/493097362.db2.gz DGNXQCBIMMHILH-OAHLLOKOSA-N 2 2 350.463 0.943 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983792 493099181 /nfs/dbraw/zinc/09/91/81/493099181.db2.gz YJCCLXFZGFUOAZ-ROUUACIJSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983792 493099184 /nfs/dbraw/zinc/09/91/84/493099184.db2.gz YJCCLXFZGFUOAZ-ROUUACIJSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983791 493099508 /nfs/dbraw/zinc/09/95/08/493099508.db2.gz YJCCLXFZGFUOAZ-QZTJIDSGSA-N 2 2 358.490 0.973 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632983791 493099510 /nfs/dbraw/zinc/09/95/10/493099510.db2.gz YJCCLXFZGFUOAZ-QZTJIDSGSA-N 2 2 358.490 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)[C@H](C[NH3+])C1 ZINC000646835654 493109358 /nfs/dbraw/zinc/10/93/58/493109358.db2.gz YVFWYBJNQRPSQY-GFCCVEGCSA-N 2 2 352.822 0.739 20 0 FCADLP C[N@H+]1CCN(C(=O)CCn2c3ccc(Cl)cc3oc2=O)[C@H](C[NH3+])C1 ZINC000646835654 493109362 /nfs/dbraw/zinc/10/93/62/493109362.db2.gz YVFWYBJNQRPSQY-GFCCVEGCSA-N 2 2 352.822 0.739 20 0 FCADLP CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000640520372 493111766 /nfs/dbraw/zinc/11/17/66/493111766.db2.gz QYGDPXFBWLTEIC-JKSUJKDBSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000653391625 493115695 /nfs/dbraw/zinc/11/56/95/493115695.db2.gz GXNXFFYNQGYVBW-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640561304 493117457 /nfs/dbraw/zinc/11/74/57/493117457.db2.gz CWVDJPXYIVFHFW-AWEZNQCLSA-N 2 2 374.489 0.960 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257552 493120746 /nfs/dbraw/zinc/12/07/46/493120746.db2.gz JFXGOJIXJOQYBO-MOPGFXCFSA-N 2 2 359.470 0.800 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627257552 493120749 /nfs/dbraw/zinc/12/07/49/493120749.db2.gz JFXGOJIXJOQYBO-MOPGFXCFSA-N 2 2 359.470 0.800 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]([N@@H+]3CC[C@@H](O)C3)C1)n2C ZINC000627258580 493121127 /nfs/dbraw/zinc/12/11/27/493121127.db2.gz CUCJOLWLRBSOPZ-QWHCGFSZSA-N 2 2 358.446 0.315 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]([N@H+]3CC[C@@H](O)C3)C1)n2C ZINC000627258580 493121129 /nfs/dbraw/zinc/12/11/29/493121129.db2.gz CUCJOLWLRBSOPZ-QWHCGFSZSA-N 2 2 358.446 0.315 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@@H+]1C1CC1 ZINC000633099813 493125487 /nfs/dbraw/zinc/12/54/87/493125487.db2.gz LVUJCBDKWFPGGR-DOTOQJQBSA-N 2 2 358.490 0.972 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C[N@H+]1C1CC1 ZINC000633099813 493125489 /nfs/dbraw/zinc/12/54/89/493125489.db2.gz LVUJCBDKWFPGGR-DOTOQJQBSA-N 2 2 358.490 0.972 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000659027342 493126931 /nfs/dbraw/zinc/12/69/31/493126931.db2.gz YTDOZDUEMVEEAL-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000659027342 493126946 /nfs/dbraw/zinc/12/69/46/493126946.db2.gz YTDOZDUEMVEEAL-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000633117384 493133355 /nfs/dbraw/zinc/13/33/55/493133355.db2.gz CJJDDYLITSPDEY-DZGCQCFKSA-N 2 2 359.474 0.874 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000646971149 493136616 /nfs/dbraw/zinc/13/66/16/493136616.db2.gz HNFXWRGKGPMPOK-CABCVRRESA-N 2 2 350.463 0.941 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000646971149 493136620 /nfs/dbraw/zinc/13/66/20/493136620.db2.gz HNFXWRGKGPMPOK-CABCVRRESA-N 2 2 350.463 0.941 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000627293262 493137628 /nfs/dbraw/zinc/13/76/28/493137628.db2.gz OWGKXYSANNIZPM-IUODEOHRSA-N 2 2 368.865 0.164 20 0 FCADLP CC(C)(CNC(=O)Cn1cc([C@@H]([NH3+])c2ccccc2)nn1)[NH+]1CCOCC1 ZINC000640867413 493139704 /nfs/dbraw/zinc/13/97/04/493139704.db2.gz TWIWXHHITCLCJA-SFHVURJKSA-N 2 2 372.473 0.553 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000659095049 493149824 /nfs/dbraw/zinc/14/98/24/493149824.db2.gz WQWMMBDKRMUMIM-LSDHHAIUSA-N 2 2 362.474 0.960 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000659095049 493149826 /nfs/dbraw/zinc/14/98/26/493149826.db2.gz WQWMMBDKRMUMIM-LSDHHAIUSA-N 2 2 362.474 0.960 20 0 FCADLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000647173172 493173759 /nfs/dbraw/zinc/17/37/59/493173759.db2.gz XGNLPLGKERXIIY-GJZGRUSLSA-N 2 2 354.476 0.300 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000627357753 493174525 /nfs/dbraw/zinc/17/45/25/493174525.db2.gz PEBREANIEOAFDT-LSDHHAIUSA-N 2 2 352.504 0.923 20 0 FCADLP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659284242 493184116 /nfs/dbraw/zinc/18/41/16/493184116.db2.gz CTKDDFBRXUJOJY-PBHICJAKSA-N 2 2 358.446 0.256 20 0 FCADLP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659284242 493184119 /nfs/dbraw/zinc/18/41/19/493184119.db2.gz CTKDDFBRXUJOJY-PBHICJAKSA-N 2 2 358.446 0.256 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)[nH]n1 ZINC000666450271 493185207 /nfs/dbraw/zinc/18/52/07/493185207.db2.gz NNOYBWFWIOFXNX-BETUJISGSA-N 2 2 370.417 0.440 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n[nH]1 ZINC000666450271 493185212 /nfs/dbraw/zinc/18/52/12/493185212.db2.gz NNOYBWFWIOFXNX-BETUJISGSA-N 2 2 370.417 0.440 20 0 FCADLP Cn1cnnc1N1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000653822216 493185613 /nfs/dbraw/zinc/18/56/13/493185613.db2.gz FHRKYQJBAGKSSC-UHFFFAOYSA-N 2 2 356.474 0.970 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)cn21 ZINC000659559659 493212643 /nfs/dbraw/zinc/21/26/43/493212643.db2.gz OLXVJSUVGUEOGH-UHFFFAOYSA-N 2 2 355.402 0.639 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666692046 493217793 /nfs/dbraw/zinc/21/77/93/493217793.db2.gz YPGQKMHMKPQWKH-PBHICJAKSA-N 2 2 360.458 0.968 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000672639921 493221466 /nfs/dbraw/zinc/22/14/66/493221466.db2.gz UCGRVTQIDBINOJ-BBWFWOEESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000672639921 493221469 /nfs/dbraw/zinc/22/14/69/493221469.db2.gz UCGRVTQIDBINOJ-BBWFWOEESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000672639923 493221905 /nfs/dbraw/zinc/22/19/05/493221905.db2.gz UCGRVTQIDBINOJ-IXDOHACOSA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000672639923 493221907 /nfs/dbraw/zinc/22/19/07/493221907.db2.gz UCGRVTQIDBINOJ-IXDOHACOSA-N 2 2 362.518 0.920 20 0 FCADLP CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638687 493222103 /nfs/dbraw/zinc/22/21/03/493222103.db2.gz UOHKTCYVFIZNEY-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638687 493222105 /nfs/dbraw/zinc/22/21/05/493222105.db2.gz UOHKTCYVFIZNEY-ARFHVFGLSA-N 2 2 350.507 0.918 20 0 FCADLP CN(CC1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639845 493222511 /nfs/dbraw/zinc/22/25/11/493222511.db2.gz RVZZCUIAAYHMOT-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639845 493222514 /nfs/dbraw/zinc/22/25/14/493222514.db2.gz RVZZCUIAAYHMOT-MRXNPFEDSA-N 2 2 366.506 0.156 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638244 493222892 /nfs/dbraw/zinc/22/28/92/493222892.db2.gz RJBJQUOHWNAVEV-INIZCTEOSA-N 3 2 367.538 0.071 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638244 493222893 /nfs/dbraw/zinc/22/28/93/493222893.db2.gz RJBJQUOHWNAVEV-INIZCTEOSA-N 3 2 367.538 0.071 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640911 493224234 /nfs/dbraw/zinc/22/42/34/493224234.db2.gz LZSKPNINORXCCQ-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640911 493224237 /nfs/dbraw/zinc/22/42/37/493224237.db2.gz LZSKPNINORXCCQ-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC3(C)C)C2)CC1 ZINC000672642569 493225707 /nfs/dbraw/zinc/22/57/07/493225707.db2.gz CREVUWUCOOPPIV-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCCC3(C)C)C2)CC1 ZINC000672642569 493225709 /nfs/dbraw/zinc/22/57/09/493225709.db2.gz CREVUWUCOOPPIV-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000672641810 493225965 /nfs/dbraw/zinc/22/59/65/493225965.db2.gz ULNYZWRQQQRRME-HIFRSBDPSA-N 2 2 354.520 0.283 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000672641810 493225969 /nfs/dbraw/zinc/22/59/69/493225969.db2.gz ULNYZWRQQQRRME-HIFRSBDPSA-N 2 2 354.520 0.283 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCOC(F)F)C2)CC1 ZINC000672642305 493227089 /nfs/dbraw/zinc/22/70/89/493227089.db2.gz FVZPDHFZFHBKMH-GFCCVEGCSA-N 2 2 362.421 0.017 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCOC(F)F)C2)CC1 ZINC000672642305 493227090 /nfs/dbraw/zinc/22/70/90/493227090.db2.gz FVZPDHFZFHBKMH-GFCCVEGCSA-N 2 2 362.421 0.017 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC(=O)N1C ZINC000659642616 493227466 /nfs/dbraw/zinc/22/74/66/493227466.db2.gz XMNMTFCSAHHIIP-CTASWTNQSA-N 2 2 360.462 0.475 20 0 FCADLP CN(Cc1nccs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643089 493227690 /nfs/dbraw/zinc/22/76/90/493227690.db2.gz OUCCNWHRQFJMER-ZDUSSCGKSA-N 2 2 365.503 0.386 20 0 FCADLP CN(Cc1nccs1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643089 493227691 /nfs/dbraw/zinc/22/76/91/493227691.db2.gz OUCCNWHRQFJMER-ZDUSSCGKSA-N 2 2 365.503 0.386 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000672697193 493235545 /nfs/dbraw/zinc/23/55/45/493235545.db2.gz WOYJDPHETHHQCH-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000672697997 493235661 /nfs/dbraw/zinc/23/56/61/493235661.db2.gz GMACVEWJBMSNSX-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCOCC1 ZINC000672707149 493237100 /nfs/dbraw/zinc/23/71/00/493237100.db2.gz FVRWZLNYRCANIF-MRXNPFEDSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCOCC1 ZINC000672707149 493237104 /nfs/dbraw/zinc/23/71/04/493237104.db2.gz FVRWZLNYRCANIF-MRXNPFEDSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000672708969 493237444 /nfs/dbraw/zinc/23/74/44/493237444.db2.gz JQJKRUYESORYRH-KRWDZBQOSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000672708969 493237449 /nfs/dbraw/zinc/23/74/49/493237449.db2.gz JQJKRUYESORYRH-KRWDZBQOSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000672708969 493237452 /nfs/dbraw/zinc/23/74/52/493237452.db2.gz JQJKRUYESORYRH-KRWDZBQOSA-N 2 2 369.554 0.357 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000672708969 493237456 /nfs/dbraw/zinc/23/74/56/493237456.db2.gz JQJKRUYESORYRH-KRWDZBQOSA-N 2 2 369.554 0.357 20 0 FCADLP CN1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000681891694 493238108 /nfs/dbraw/zinc/23/81/08/493238108.db2.gz RRVCHLKVIAPNPH-OAHLLOKOSA-N 2 2 358.446 0.874 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672711548 493238471 /nfs/dbraw/zinc/23/84/71/493238471.db2.gz GYICQAHMDODECB-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672711548 493238474 /nfs/dbraw/zinc/23/84/74/493238474.db2.gz GYICQAHMDODECB-UHFFFAOYSA-N 2 2 355.527 0.111 20 0 FCADLP Cc1nc(N2CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc[nH+]1 ZINC000666976409 493243865 /nfs/dbraw/zinc/24/38/65/493243865.db2.gz IIMCQXYHZXLXSD-KRWDZBQOSA-N 2 2 374.489 0.870 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976624 493244188 /nfs/dbraw/zinc/24/41/88/493244188.db2.gz LZHRXASSUHRJAZ-DOTOQJQBSA-N 2 2 354.495 0.602 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)[nH+]c12 ZINC000672766355 493247141 /nfs/dbraw/zinc/24/71/41/493247141.db2.gz XADFBMPAGBTUEP-ZBFHGGJFSA-N 2 2 373.457 0.137 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)[nH+]c12 ZINC000672766355 493247144 /nfs/dbraw/zinc/24/71/44/493247144.db2.gz XADFBMPAGBTUEP-ZBFHGGJFSA-N 2 2 373.457 0.137 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000659685540 493252432 /nfs/dbraw/zinc/25/24/32/493252432.db2.gz QPFDSEJQNKVHQA-PMPSAXMXSA-N 2 2 354.495 0.045 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000667142303 493261321 /nfs/dbraw/zinc/26/13/21/493261321.db2.gz BEKUMNTVNUKNOT-RDTXWAMCSA-N 2 2 372.469 0.592 20 0 FCADLP Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682159161 493273670 /nfs/dbraw/zinc/27/36/70/493273670.db2.gz MAYWTPOOKOCVTF-OAHLLOKOSA-N 2 2 362.474 0.537 20 0 FCADLP Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682159161 493273672 /nfs/dbraw/zinc/27/36/72/493273672.db2.gz MAYWTPOOKOCVTF-OAHLLOKOSA-N 2 2 362.474 0.537 20 0 FCADLP Cc1nn(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682270252 493284382 /nfs/dbraw/zinc/28/43/82/493284382.db2.gz IAOZOOITDSWILO-AWEZNQCLSA-N 2 2 362.478 0.260 20 0 FCADLP Cc1nn(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682270252 493284384 /nfs/dbraw/zinc/28/43/84/493284384.db2.gz IAOZOOITDSWILO-AWEZNQCLSA-N 2 2 362.478 0.260 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)CC1 ZINC000682271040 493284495 /nfs/dbraw/zinc/28/44/95/493284495.db2.gz SRDWULNQDONGLL-HNNXBMFYSA-N 2 2 374.489 0.516 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)CC1 ZINC000682271040 493284497 /nfs/dbraw/zinc/28/44/97/493284497.db2.gz SRDWULNQDONGLL-HNNXBMFYSA-N 2 2 374.489 0.516 20 0 FCADLP C[C@H]1C[NH+](CCN2CC[NH+](CC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000659812794 493292278 /nfs/dbraw/zinc/29/22/78/493292278.db2.gz XLVBAEZBDYLYJG-ROUUACIJSA-N 2 2 352.523 0.726 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000673276274 493310468 /nfs/dbraw/zinc/31/04/68/493310468.db2.gz LPUJAZBRJKKRHT-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000673276274 493310470 /nfs/dbraw/zinc/31/04/70/493310470.db2.gz LPUJAZBRJKKRHT-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282544 493311676 /nfs/dbraw/zinc/31/16/76/493311676.db2.gz FNTPSNXHJHGQQU-HOCLYGCPSA-N 2 2 353.426 0.617 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000673282544 493311679 /nfs/dbraw/zinc/31/16/79/493311679.db2.gz FNTPSNXHJHGQQU-HOCLYGCPSA-N 2 2 353.426 0.617 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673303653 493315499 /nfs/dbraw/zinc/31/54/99/493315499.db2.gz LODHBBQDVNIPBP-HOTGVXAUSA-N 2 2 368.441 0.837 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000673337371 493318755 /nfs/dbraw/zinc/31/87/55/493318755.db2.gz RQGKAYAGZPCAGC-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000673337371 493318756 /nfs/dbraw/zinc/31/87/56/493318756.db2.gz RQGKAYAGZPCAGC-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000673337371 493318757 /nfs/dbraw/zinc/31/87/57/493318757.db2.gz RQGKAYAGZPCAGC-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000673337371 493318758 /nfs/dbraw/zinc/31/87/58/493318758.db2.gz RQGKAYAGZPCAGC-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660098598 493324300 /nfs/dbraw/zinc/32/43/00/493324300.db2.gz CABKQNCOSJZHLE-LBPRGKRZSA-N 2 2 354.480 0.835 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660133546 493329110 /nfs/dbraw/zinc/32/91/10/493329110.db2.gz ZLMLOOHBQQCHKE-GOSISDBHSA-N 2 2 367.515 0.903 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660133546 493329113 /nfs/dbraw/zinc/32/91/13/493329113.db2.gz ZLMLOOHBQQCHKE-GOSISDBHSA-N 2 2 367.515 0.903 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000668569962 493377045 /nfs/dbraw/zinc/37/70/45/493377045.db2.gz KXOANFNBLUFAJX-CQSZACIVSA-N 2 2 356.430 0.699 20 0 FCADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1-n1cnnn1 ZINC000674000603 493381290 /nfs/dbraw/zinc/38/12/90/493381290.db2.gz PDEUHFIHYFJOIW-UHFFFAOYSA-N 2 2 357.462 0.727 20 0 FCADLP CN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616904 493384900 /nfs/dbraw/zinc/38/49/00/493384900.db2.gz HDNLGLMNHGONGD-OAHLLOKOSA-N 2 2 363.510 0.598 20 0 FCADLP CN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616904 493384902 /nfs/dbraw/zinc/38/49/02/493384902.db2.gz HDNLGLMNHGONGD-OAHLLOKOSA-N 2 2 363.510 0.598 20 0 FCADLP CCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617257 493384954 /nfs/dbraw/zinc/38/49/54/493384954.db2.gz JEXMUCMAUJEQRH-HUUCEWRRSA-N 2 2 360.524 0.071 20 0 FCADLP CCC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000668617257 493384955 /nfs/dbraw/zinc/38/49/55/493384955.db2.gz JEXMUCMAUJEQRH-HUUCEWRRSA-N 2 2 360.524 0.071 20 0 FCADLP CN(C(=O)NC[C@H]1CCCC(=O)N1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684000053 493385950 /nfs/dbraw/zinc/38/59/50/493385950.db2.gz LWTKXHUVPZCVHM-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP CN(C(=O)NC[C@H]1CCCC(=O)N1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684000053 493385951 /nfs/dbraw/zinc/38/59/51/493385951.db2.gz LWTKXHUVPZCVHM-GDBMZVCRSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000668686561 493396826 /nfs/dbraw/zinc/39/68/26/493396826.db2.gz RGKSYNHYAVPVNP-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000668687646 493397502 /nfs/dbraw/zinc/39/75/02/493397502.db2.gz LPCOJXUTLVTCKA-UHFFFAOYSA-N 2 2 351.499 0.455 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000668687646 493397507 /nfs/dbraw/zinc/39/75/07/493397507.db2.gz LPCOJXUTLVTCKA-UHFFFAOYSA-N 2 2 351.499 0.455 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668713671 493400590 /nfs/dbraw/zinc/40/05/90/493400590.db2.gz XPKIWEJGVAJEEG-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294588 493405806 /nfs/dbraw/zinc/40/58/06/493405806.db2.gz HIEWPQYCGPJILH-HUUCEWRRSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000674294588 493405809 /nfs/dbraw/zinc/40/58/09/493405809.db2.gz HIEWPQYCGPJILH-HUUCEWRRSA-N 2 2 351.495 0.463 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000661131568 493410278 /nfs/dbraw/zinc/41/02/78/493410278.db2.gz VXYVUSVZEFHNOM-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1(C)C ZINC000661131568 493410280 /nfs/dbraw/zinc/41/02/80/493410280.db2.gz VXYVUSVZEFHNOM-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1C ZINC000674405979 493413222 /nfs/dbraw/zinc/41/32/22/493413222.db2.gz YKPWFBWXGUFEQS-GJZGRUSLSA-N 2 2 350.467 0.227 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000668892183 493429651 /nfs/dbraw/zinc/42/96/51/493429651.db2.gz YMEZYVSOZIDWEO-YESZJQIVSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@H+]1C ZINC000668892657 493429705 /nfs/dbraw/zinc/42/97/05/493429705.db2.gz IXUIRTNGNWYFBV-GOEBONIOSA-N 2 2 359.474 0.897 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661367916 493431021 /nfs/dbraw/zinc/43/10/21/493431021.db2.gz OQXOEAXXOTUKGX-XJKCOSOUSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661367916 493431023 /nfs/dbraw/zinc/43/10/23/493431023.db2.gz OQXOEAXXOTUKGX-XJKCOSOUSA-N 2 2 362.478 0.912 20 0 FCADLP CN(CC1=CCSC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668910672 493436187 /nfs/dbraw/zinc/43/61/87/493436187.db2.gz KZIZHAUPRMLZKO-HNNXBMFYSA-N 2 2 366.531 0.403 20 0 FCADLP CN(CC1=CCSC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668910672 493436190 /nfs/dbraw/zinc/43/61/90/493436190.db2.gz KZIZHAUPRMLZKO-HNNXBMFYSA-N 2 2 366.531 0.403 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668920529 493437525 /nfs/dbraw/zinc/43/75/25/493437525.db2.gz NJMAMZDZIWQPGC-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668920529 493437529 /nfs/dbraw/zinc/43/75/29/493437529.db2.gz NJMAMZDZIWQPGC-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000685276303 493470761 /nfs/dbraw/zinc/47/07/61/493470761.db2.gz WZNZTMJJZVGMPO-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000685276303 493470766 /nfs/dbraw/zinc/47/07/66/493470766.db2.gz WZNZTMJJZVGMPO-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276303 493470769 /nfs/dbraw/zinc/47/07/69/493470769.db2.gz WZNZTMJJZVGMPO-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH+]1C1CC1 ZINC000685276303 493470772 /nfs/dbraw/zinc/47/07/72/493470772.db2.gz WZNZTMJJZVGMPO-WCVJEAGWSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000675194264 493472842 /nfs/dbraw/zinc/47/28/42/493472842.db2.gz LRACOGZFIGHYBW-HOTGVXAUSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301332 493473888 /nfs/dbraw/zinc/47/38/88/493473888.db2.gz FWMCRZVSMXVHMV-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301332 493473890 /nfs/dbraw/zinc/47/38/90/493473890.db2.gz FWMCRZVSMXVHMV-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301332 493473892 /nfs/dbraw/zinc/47/38/92/493473892.db2.gz FWMCRZVSMXVHMV-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000685301332 493473894 /nfs/dbraw/zinc/47/38/94/493473894.db2.gz FWMCRZVSMXVHMV-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336260 493477436 /nfs/dbraw/zinc/47/74/36/493477436.db2.gz PREXMXZWEWIZMV-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336260 493477438 /nfs/dbraw/zinc/47/74/38/493477438.db2.gz PREXMXZWEWIZMV-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685338297 493478103 /nfs/dbraw/zinc/47/81/03/493478103.db2.gz ZZXGWOCIUIRDBD-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338297 493478104 /nfs/dbraw/zinc/47/81/04/493478104.db2.gz ZZXGWOCIUIRDBD-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338295 493478712 /nfs/dbraw/zinc/47/87/12/493478712.db2.gz ZZXGWOCIUIRDBD-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338295 493478716 /nfs/dbraw/zinc/47/87/16/493478716.db2.gz ZZXGWOCIUIRDBD-HOTGVXAUSA-N 2 2 368.522 0.402 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675514273 493486042 /nfs/dbraw/zinc/48/60/42/493486042.db2.gz GNDNKQRUQBGBBN-INIZCTEOSA-N 2 2 371.441 0.701 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675514273 493486045 /nfs/dbraw/zinc/48/60/45/493486045.db2.gz GNDNKQRUQBGBBN-INIZCTEOSA-N 2 2 371.441 0.701 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000669366423 493501609 /nfs/dbraw/zinc/50/16/09/493501609.db2.gz NVSQYRDIWLXANE-JQHSSLGASA-N 2 2 362.474 0.818 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000669366425 493501754 /nfs/dbraw/zinc/50/17/54/493501754.db2.gz NVSQYRDIWLXANE-SZMVWBNQSA-N 2 2 362.474 0.818 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669405572 493502416 /nfs/dbraw/zinc/50/24/16/493502416.db2.gz VHHUPPISYISJAJ-ZMSDIMECSA-N 2 2 354.520 0.588 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000669405495 493502569 /nfs/dbraw/zinc/50/25/69/493502569.db2.gz FDOGCHNEVFSEMH-DOTOQJQBSA-N 2 2 356.536 0.978 20 0 FCADLP C[NH+](C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568542 493503977 /nfs/dbraw/zinc/50/39/77/493503977.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C1)C1CC1 ZINC000685568542 493503980 /nfs/dbraw/zinc/50/39/80/493503980.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@@H](O)CN1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568542 493503982 /nfs/dbraw/zinc/50/39/82/493503982.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 3 2 368.566 0.293 20 0 FCADLP C[NH+](C[C@@H](O)CN1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1(C)C)C1CC1 ZINC000685568542 493503984 /nfs/dbraw/zinc/50/39/84/493503984.db2.gz HPJOCEIUWDFVSN-RTBURBONSA-N 3 2 368.566 0.293 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)O1 ZINC000662543609 493525054 /nfs/dbraw/zinc/52/50/54/493525054.db2.gz KZTBLXXTOAPNLN-SYAUCNOPSA-N 2 2 353.442 0.168 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)O1 ZINC000662543609 493525056 /nfs/dbraw/zinc/52/50/56/493525056.db2.gz KZTBLXXTOAPNLN-SYAUCNOPSA-N 2 2 353.442 0.168 20 0 FCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662704250 493533028 /nfs/dbraw/zinc/53/30/28/493533028.db2.gz XKUFUOZODZBQBU-QGZVFWFLSA-N 2 2 359.474 0.625 20 0 FCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000662718326 493534247 /nfs/dbraw/zinc/53/42/47/493534247.db2.gz YMNGAZVJSVZQHU-OAHLLOKOSA-N 2 2 359.474 0.788 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246428 493534375 /nfs/dbraw/zinc/53/43/75/493534375.db2.gz UBOBXMCZYDUMHZ-ZOBUZTSGSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246428 493534378 /nfs/dbraw/zinc/53/43/78/493534378.db2.gz UBOBXMCZYDUMHZ-ZOBUZTSGSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246428 493534381 /nfs/dbraw/zinc/53/43/81/493534381.db2.gz UBOBXMCZYDUMHZ-ZOBUZTSGSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246428 493534382 /nfs/dbraw/zinc/53/43/82/493534382.db2.gz UBOBXMCZYDUMHZ-ZOBUZTSGSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[C@H](C)[NH+]1CCOCC1 ZINC000662721314 493534835 /nfs/dbraw/zinc/53/48/35/493534835.db2.gz UCZYDQHTSNBYSM-KKUMJFAQSA-N 2 2 350.467 0.432 20 0 FCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733535 493536034 /nfs/dbraw/zinc/53/60/34/493536034.db2.gz LKYDCSTYOYQWPN-PBHICJAKSA-N 2 2 368.428 0.487 20 0 FCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(F)cc1F ZINC000662733535 493536035 /nfs/dbraw/zinc/53/60/35/493536035.db2.gz LKYDCSTYOYQWPN-PBHICJAKSA-N 2 2 368.428 0.487 20 0 FCADLP C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676263555 493538356 /nfs/dbraw/zinc/53/83/56/493538356.db2.gz GAOOETSGUXHMKX-GDBMZVCRSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676263555 493538358 /nfs/dbraw/zinc/53/83/58/493538358.db2.gz GAOOETSGUXHMKX-GDBMZVCRSA-N 2 2 366.466 0.056 20 0 FCADLP CCN1C(=O)CC[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H]1c1[nH+]ccn1C ZINC000662773190 493541122 /nfs/dbraw/zinc/54/11/22/493541122.db2.gz UKAMLUZEQJHPQA-MPTYRVRUSA-N 2 2 359.474 0.930 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662786992 493541917 /nfs/dbraw/zinc/54/19/17/493541917.db2.gz BKHOWCOJCXPAQA-AWEZNQCLSA-N 2 2 350.385 0.199 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662786992 493541919 /nfs/dbraw/zinc/54/19/19/493541919.db2.gz BKHOWCOJCXPAQA-AWEZNQCLSA-N 2 2 350.385 0.199 20 0 FCADLP O=C(N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@]1(O)CCC[NH2+]C1 ZINC000662810386 493543846 /nfs/dbraw/zinc/54/38/46/493543846.db2.gz QSLGMGYAUOQWKR-KXBFYZLASA-N 2 2 360.458 0.776 20 0 FCADLP O=C(COC1CC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849293 493546793 /nfs/dbraw/zinc/54/67/93/493546793.db2.gz GCLSDQDIPCKXIM-MOPGFXCFSA-N 2 2 359.470 0.867 20 0 FCADLP O=C(COC1CC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849293 493546795 /nfs/dbraw/zinc/54/67/95/493546795.db2.gz GCLSDQDIPCKXIM-MOPGFXCFSA-N 2 2 359.470 0.867 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@H](C)CO1 ZINC000662858907 493547329 /nfs/dbraw/zinc/54/73/29/493547329.db2.gz JTNPFWLDSCBVLA-RBSFLKMASA-N 2 2 350.467 0.432 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@H](C)CO1 ZINC000662858907 493547332 /nfs/dbraw/zinc/54/73/32/493547332.db2.gz JTNPFWLDSCBVLA-RBSFLKMASA-N 2 2 350.467 0.432 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000676552967 493558328 /nfs/dbraw/zinc/55/83/28/493558328.db2.gz QEUIQSQZBZRXMX-AWEZNQCLSA-N 2 2 359.434 0.443 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000670546069 493579335 /nfs/dbraw/zinc/57/93/35/493579335.db2.gz MOSYSFZXTYIUOJ-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663403233 493587319 /nfs/dbraw/zinc/58/73/19/493587319.db2.gz JEUITTVJXHCTDS-QGZVFWFLSA-N 2 2 354.495 0.605 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000670701838 493588770 /nfs/dbraw/zinc/58/87/70/493588770.db2.gz XMEJMKJPUAUXBD-CXAGYDPISA-N 2 2 373.457 0.296 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000670701838 493588774 /nfs/dbraw/zinc/58/87/74/493588774.db2.gz XMEJMKJPUAUXBD-CXAGYDPISA-N 2 2 373.457 0.296 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000670709447 493589630 /nfs/dbraw/zinc/58/96/30/493589630.db2.gz LJVADXQPLJYFIF-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000663440423 493589639 /nfs/dbraw/zinc/58/96/39/493589639.db2.gz JNOVRUCYJUWTLW-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670787488 493597047 /nfs/dbraw/zinc/59/70/47/493597047.db2.gz CAWZWAOPTDCADT-HOCLYGCPSA-N 2 2 355.442 0.736 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670787488 493597049 /nfs/dbraw/zinc/59/70/49/493597049.db2.gz CAWZWAOPTDCADT-HOCLYGCPSA-N 2 2 355.442 0.736 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000670787633 493597575 /nfs/dbraw/zinc/59/75/75/493597575.db2.gz JYMKXOHJPQBVAX-HNNXBMFYSA-N 2 2 357.458 0.982 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000663558117 493598346 /nfs/dbraw/zinc/59/83/46/493598346.db2.gz IYQJMLNLRNZEFY-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000663558117 493598347 /nfs/dbraw/zinc/59/83/47/493598347.db2.gz IYQJMLNLRNZEFY-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@H](C)CO1 ZINC000663558117 493598348 /nfs/dbraw/zinc/59/83/48/493598348.db2.gz IYQJMLNLRNZEFY-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@H](C)CO1 ZINC000663558117 493598349 /nfs/dbraw/zinc/59/83/49/493598349.db2.gz IYQJMLNLRNZEFY-HZPDHXFCSA-N 2 2 355.527 0.421 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000663561928 493598769 /nfs/dbraw/zinc/59/87/69/493598769.db2.gz WELVRJGULYYMSR-KURKYZTESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000663561928 493598770 /nfs/dbraw/zinc/59/87/70/493598770.db2.gz WELVRJGULYYMSR-KURKYZTESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)N1CC[NH+](C)CC1 ZINC000663561928 493598771 /nfs/dbraw/zinc/59/87/71/493598771.db2.gz WELVRJGULYYMSR-KURKYZTESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)N1CC[NH+](C)CC1 ZINC000663561928 493598772 /nfs/dbraw/zinc/59/87/72/493598772.db2.gz WELVRJGULYYMSR-KURKYZTESA-N 2 2 369.554 0.667 20 0 FCADLP CNC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677386591 493599023 /nfs/dbraw/zinc/59/90/23/493599023.db2.gz BMWZMCDVDXLFMV-HOCLYGCPSA-N 2 2 353.511 0.615 20 0 FCADLP CNC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677386591 493599025 /nfs/dbraw/zinc/59/90/25/493599025.db2.gz BMWZMCDVDXLFMV-HOCLYGCPSA-N 2 2 353.511 0.615 20 0 FCADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000677416206 493600442 /nfs/dbraw/zinc/60/04/42/493600442.db2.gz IZGAUZQFIAODCG-AWEZNQCLSA-N 2 2 353.488 0.905 20 0 FCADLP COC1CC[NH+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000677579681 493609221 /nfs/dbraw/zinc/60/92/21/493609221.db2.gz YSMAUKPKOMBZQR-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(N3CCCC3=O)CC2)CC1 ZINC000677577980 493609297 /nfs/dbraw/zinc/60/92/97/493609297.db2.gz PPZUSDMBIJNGBJ-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663656717 493610478 /nfs/dbraw/zinc/61/04/78/493610478.db2.gz XFOXKWTUXCYLEH-ROUUACIJSA-N 2 2 369.554 0.813 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663656717 493610480 /nfs/dbraw/zinc/61/04/80/493610480.db2.gz XFOXKWTUXCYLEH-ROUUACIJSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663656717 493610483 /nfs/dbraw/zinc/61/04/83/493610483.db2.gz XFOXKWTUXCYLEH-ROUUACIJSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663656717 493610486 /nfs/dbraw/zinc/61/04/86/493610486.db2.gz XFOXKWTUXCYLEH-ROUUACIJSA-N 2 2 369.554 0.813 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[NH+](C(C)(C)CO)CC3)c2)CC1 ZINC000677648869 493611251 /nfs/dbraw/zinc/61/12/51/493611251.db2.gz NOWMMKCHTLFORX-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@@H]2C)CC1 ZINC000677714724 493613378 /nfs/dbraw/zinc/61/33/78/493613378.db2.gz HDTFLMBHVXROBO-KRWDZBQOSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2C)CC1 ZINC000677714724 493613381 /nfs/dbraw/zinc/61/33/81/493613381.db2.gz HDTFLMBHVXROBO-KRWDZBQOSA-N 2 2 358.486 0.850 20 0 FCADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000677737633 493614617 /nfs/dbraw/zinc/61/46/17/493614617.db2.gz JMSDWVBURSUENM-MRXNPFEDSA-N 2 2 367.538 0.070 20 0 FCADLP Cc1ccc(N2CCC(C(=O)NCCC[N@@H+]3CCNC(=O)C3)CC2)[nH+]c1 ZINC000677931275 493625349 /nfs/dbraw/zinc/62/53/49/493625349.db2.gz JMCJQVJMFYSYIZ-UHFFFAOYSA-N 2 2 359.474 0.545 20 0 FCADLP Cc1ccc(N2CCC(C(=O)NCCC[N@H+]3CCNC(=O)C3)CC2)[nH+]c1 ZINC000677931275 493625352 /nfs/dbraw/zinc/62/53/52/493625352.db2.gz JMCJQVJMFYSYIZ-UHFFFAOYSA-N 2 2 359.474 0.545 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677961638 493627108 /nfs/dbraw/zinc/62/71/08/493627108.db2.gz OSYVVUVAQYHTEF-BMFZPTHFSA-N 2 2 351.495 0.369 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677961638 493627109 /nfs/dbraw/zinc/62/71/09/493627109.db2.gz OSYVVUVAQYHTEF-BMFZPTHFSA-N 2 2 351.495 0.369 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663993409 493628624 /nfs/dbraw/zinc/62/86/24/493628624.db2.gz IPYJWLPUQIRDFF-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663993409 493628626 /nfs/dbraw/zinc/62/86/26/493628626.db2.gz IPYJWLPUQIRDFF-DLBZAZTESA-N 2 2 354.495 0.603 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664027280 493631223 /nfs/dbraw/zinc/63/12/23/493631223.db2.gz YPOBYWKFULTHDR-MSOLQXFVSA-N 2 2 367.538 0.519 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671100421 493633061 /nfs/dbraw/zinc/63/30/61/493633061.db2.gz IAHVDUMVMZBQPH-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000671100421 493633063 /nfs/dbraw/zinc/63/30/63/493633063.db2.gz IAHVDUMVMZBQPH-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664094996 493636239 /nfs/dbraw/zinc/63/62/39/493636239.db2.gz HIFFFGHCOJUYCR-INIZCTEOSA-N 2 2 356.536 0.932 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123194 493639136 /nfs/dbraw/zinc/63/91/36/493639136.db2.gz RXVBAGVSZJFKEB-RDTXWAMCSA-N 2 2 356.470 0.890 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123194 493639137 /nfs/dbraw/zinc/63/91/37/493639137.db2.gz RXVBAGVSZJFKEB-RDTXWAMCSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671123194 493639138 /nfs/dbraw/zinc/63/91/38/493639138.db2.gz RXVBAGVSZJFKEB-RDTXWAMCSA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671123194 493639139 /nfs/dbraw/zinc/63/91/39/493639139.db2.gz RXVBAGVSZJFKEB-RDTXWAMCSA-N 2 2 356.470 0.890 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000671126697 493639961 /nfs/dbraw/zinc/63/99/61/493639961.db2.gz DEKWRMSJOKDFDL-OAHLLOKOSA-N 2 2 361.490 0.867 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671337593 493656631 /nfs/dbraw/zinc/65/66/31/493656631.db2.gz ZCPWOOUCDKVYLM-WBVHZDCISA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671337593 493656633 /nfs/dbraw/zinc/65/66/33/493656633.db2.gz ZCPWOOUCDKVYLM-WBVHZDCISA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000678803734 493661739 /nfs/dbraw/zinc/66/17/39/493661739.db2.gz DWCCIYOUKFKYIH-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000678803734 493661741 /nfs/dbraw/zinc/66/17/41/493661741.db2.gz DWCCIYOUKFKYIH-GOSISDBHSA-N 2 2 352.523 0.724 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671374253 493661781 /nfs/dbraw/zinc/66/17/81/493661781.db2.gz HRMVDPDTKUCZRW-UHFFFAOYSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537180 493666544 /nfs/dbraw/zinc/66/65/44/493666544.db2.gz GGBNVGVIJIEUKA-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537180 493666547 /nfs/dbraw/zinc/66/65/47/493666547.db2.gz GGBNVGVIJIEUKA-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537180 493666549 /nfs/dbraw/zinc/66/65/49/493666549.db2.gz GGBNVGVIJIEUKA-JKSUJKDBSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537180 493666553 /nfs/dbraw/zinc/66/65/53/493666553.db2.gz GGBNVGVIJIEUKA-JKSUJKDBSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000678990516 493667229 /nfs/dbraw/zinc/66/72/29/493667229.db2.gz MHYZMWRONUDUEI-YLJYHZDGSA-N 2 2 360.502 0.812 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600256 493671041 /nfs/dbraw/zinc/67/10/41/493671041.db2.gz SPYXJUDNKGQABO-DOTOQJQBSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664600256 493671044 /nfs/dbraw/zinc/67/10/44/493671044.db2.gz SPYXJUDNKGQABO-DOTOQJQBSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600256 493671049 /nfs/dbraw/zinc/67/10/49/493671049.db2.gz SPYXJUDNKGQABO-DOTOQJQBSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@H]1CCCN(c2cc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664600256 493671052 /nfs/dbraw/zinc/67/10/52/493671052.db2.gz SPYXJUDNKGQABO-DOTOQJQBSA-N 2 2 361.490 0.721 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNc2nc(N3CCOCC3)cc[nH+]2)CC(=O)N1C ZINC000671468922 493674187 /nfs/dbraw/zinc/67/41/87/493674187.db2.gz QWHJJLFHJSMISZ-XJKSGUPXSA-N 2 2 371.445 0.678 20 0 FCADLP O=C1NC(=O)N2CC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]12 ZINC000679390718 493678204 /nfs/dbraw/zinc/67/82/04/493678204.db2.gz LGNNEOCVEIENKD-QGZVFWFLSA-N 2 2 358.442 0.897 20 0 FCADLP O=C1NC(=O)N2CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]12 ZINC000679390718 493678206 /nfs/dbraw/zinc/67/82/06/493678206.db2.gz LGNNEOCVEIENKD-QGZVFWFLSA-N 2 2 358.442 0.897 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000664758269 493681498 /nfs/dbraw/zinc/68/14/98/493681498.db2.gz NTPNZPPSBJLQPA-IRXDYDNUSA-N 2 2 354.495 0.603 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000664859212 493687520 /nfs/dbraw/zinc/68/75/20/493687520.db2.gz RTCZOUCFEHHBGD-JYJNAYRXSA-N 2 2 365.478 0.687 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000680011371 493705237 /nfs/dbraw/zinc/70/52/37/493705237.db2.gz YQJNYAHNSFBXJI-INIZCTEOSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680011861 493705429 /nfs/dbraw/zinc/70/54/29/493705429.db2.gz GVCLDGHRCZKHFQ-SJLPKXTDSA-N 3 2 352.523 0.582 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680011861 493705430 /nfs/dbraw/zinc/70/54/30/493705430.db2.gz GVCLDGHRCZKHFQ-SJLPKXTDSA-N 3 2 352.523 0.582 20 0 FCADLP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000680012559 493705446 /nfs/dbraw/zinc/70/54/46/493705446.db2.gz SJFGUXUAJKNOBE-SFHVURJKSA-N 2 2 366.550 0.972 20 0 FCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)CC1 ZINC000680012559 493705447 /nfs/dbraw/zinc/70/54/47/493705447.db2.gz SJFGUXUAJKNOBE-SFHVURJKSA-N 2 2 366.550 0.972 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671816139 493707041 /nfs/dbraw/zinc/70/70/41/493707041.db2.gz HRDNMOGTKRGKQJ-AWEZNQCLSA-N 2 2 362.499 0.745 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000671816139 493707043 /nfs/dbraw/zinc/70/70/43/493707043.db2.gz HRDNMOGTKRGKQJ-AWEZNQCLSA-N 2 2 362.499 0.745 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(N2CCCC2)[nH+]1 ZINC000671817292 493707744 /nfs/dbraw/zinc/70/77/44/493707744.db2.gz NIDMAPIPEQTXAU-MRXNPFEDSA-N 2 2 371.485 0.959 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(N2CCCC2)[nH+]1 ZINC000671817292 493707746 /nfs/dbraw/zinc/70/77/46/493707746.db2.gz NIDMAPIPEQTXAU-MRXNPFEDSA-N 2 2 371.485 0.959 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)c2cccc(C(=O)NC3C[NH+](C(C)C)C3)n2)C1 ZINC000665442699 493715236 /nfs/dbraw/zinc/71/52/36/493715236.db2.gz SSSKTPAHCUNMDT-UHFFFAOYSA-N 2 2 359.474 0.726 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671963617 493719649 /nfs/dbraw/zinc/71/96/49/493719649.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671963617 493719650 /nfs/dbraw/zinc/71/96/50/493719650.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671963617 493719651 /nfs/dbraw/zinc/71/96/51/493719651.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671963617 493719652 /nfs/dbraw/zinc/71/96/52/493719652.db2.gz ZGRYARCFKCFIFH-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH+](C)CC1 ZINC000672007264 493723503 /nfs/dbraw/zinc/72/35/03/493723503.db2.gz GAZYKCOGJLNYMK-DOTOQJQBSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC[NH+](C)CC1 ZINC000672008947 493723919 /nfs/dbraw/zinc/72/39/19/493723919.db2.gz DNNZEEKZUROIBJ-WMLDXEAASA-N 2 2 360.458 0.908 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000672008791 493723947 /nfs/dbraw/zinc/72/39/47/493723947.db2.gz WKVKTUFFDBXHNL-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000672008791 493723948 /nfs/dbraw/zinc/72/39/48/493723948.db2.gz WKVKTUFFDBXHNL-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672008850 493724136 /nfs/dbraw/zinc/72/41/36/493724136.db2.gz LWBUTRYMGUTLKM-MRXNPFEDSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)CC1(CNC(=O)N(CCO)CC[NH+]2CCOCC2)CCCC1 ZINC000680615497 493726831 /nfs/dbraw/zinc/72/68/31/493726831.db2.gz ZPGKCKODTDVTND-UHFFFAOYSA-N 2 2 356.511 0.445 20 0 FCADLP CN(C)C(=O)NCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680834447 493731065 /nfs/dbraw/zinc/73/10/65/493731065.db2.gz JTBWJGHTINPIRC-AWEZNQCLSA-N 2 2 354.499 0.068 20 0 FCADLP CN(C)C(=O)NCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680834447 493731066 /nfs/dbraw/zinc/73/10/66/493731066.db2.gz JTBWJGHTINPIRC-AWEZNQCLSA-N 2 2 354.499 0.068 20 0 FCADLP C[NH+]1CCC(CNc2cc(-n3cc[nH+]c3)ncn2)(N2CCOCC2)CC1 ZINC000665743833 493732551 /nfs/dbraw/zinc/73/25/51/493732551.db2.gz QXBIMKMXNIUYKV-UHFFFAOYSA-N 2 2 357.462 0.871 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099057 493734929 /nfs/dbraw/zinc/73/49/29/493734929.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000672099057 493734931 /nfs/dbraw/zinc/73/49/31/493734931.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672099057 493734933 /nfs/dbraw/zinc/73/49/33/493734933.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 3 2 367.538 0.118 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672099057 493734935 /nfs/dbraw/zinc/73/49/35/493734935.db2.gz ZGKUWJPAWXEUTO-HOTGVXAUSA-N 3 2 367.538 0.118 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000665852785 493741847 /nfs/dbraw/zinc/74/18/47/493741847.db2.gz PLFUIUFZCGALEE-HZPDHXFCSA-N 2 2 354.458 0.987 20 0 FCADLP Cc1ncsc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672252993 493746401 /nfs/dbraw/zinc/74/64/01/493746401.db2.gz PZBQLLUJSCSTGH-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP Cc1ncsc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672252993 493746402 /nfs/dbraw/zinc/74/64/02/493746402.db2.gz PZBQLLUJSCSTGH-CYBMUJFWSA-N 2 2 365.503 0.352 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216769 493751048 /nfs/dbraw/zinc/75/10/48/493751048.db2.gz KSEBWBQTIVBLAQ-MRXNPFEDSA-N 2 2 374.489 0.490 20 0 FCADLP CN(C(=O)NCc1ccc(C(N)=O)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216769 493751049 /nfs/dbraw/zinc/75/10/49/493751049.db2.gz KSEBWBQTIVBLAQ-MRXNPFEDSA-N 2 2 374.489 0.490 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000672311961 493755222 /nfs/dbraw/zinc/75/52/22/493755222.db2.gz XBWPRBGCNGXDRU-HYVNUMGLSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000672311961 493755223 /nfs/dbraw/zinc/75/52/23/493755223.db2.gz XBWPRBGCNGXDRU-HYVNUMGLSA-N 2 2 359.474 0.893 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000672319913 493756402 /nfs/dbraw/zinc/75/64/02/493756402.db2.gz DEJBPGLDMHDINI-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000672320101 493756705 /nfs/dbraw/zinc/75/67/05/493756705.db2.gz PRLFWRVZSQQWOP-HRCADAONSA-N 2 2 354.495 0.201 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000672358033 493759464 /nfs/dbraw/zinc/75/94/64/493759464.db2.gz RUYUMYUDAHHBBT-WBVHZDCISA-N 2 2 360.458 0.126 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000672358033 493759465 /nfs/dbraw/zinc/75/94/65/493759465.db2.gz RUYUMYUDAHHBBT-WBVHZDCISA-N 2 2 360.458 0.126 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000672358033 493759466 /nfs/dbraw/zinc/75/94/66/493759466.db2.gz RUYUMYUDAHHBBT-WBVHZDCISA-N 2 2 360.458 0.126 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000672358033 493759468 /nfs/dbraw/zinc/75/94/68/493759468.db2.gz RUYUMYUDAHHBBT-WBVHZDCISA-N 2 2 360.458 0.126 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000672358031 493759643 /nfs/dbraw/zinc/75/96/43/493759643.db2.gz RUYUMYUDAHHBBT-NVXWUHKLSA-N 2 2 360.458 0.126 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C1 ZINC000672358031 493759644 /nfs/dbraw/zinc/75/96/44/493759644.db2.gz RUYUMYUDAHHBBT-NVXWUHKLSA-N 2 2 360.458 0.126 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000672358031 493759646 /nfs/dbraw/zinc/75/96/46/493759646.db2.gz RUYUMYUDAHHBBT-NVXWUHKLSA-N 2 2 360.458 0.126 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000672358031 493759649 /nfs/dbraw/zinc/75/96/49/493759649.db2.gz RUYUMYUDAHHBBT-NVXWUHKLSA-N 2 2 360.458 0.126 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000666239451 493764235 /nfs/dbraw/zinc/76/42/35/493764235.db2.gz AADCDLCWFKZHNW-HNNXBMFYSA-N 2 2 350.467 0.821 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000666239451 493764236 /nfs/dbraw/zinc/76/42/36/493764236.db2.gz AADCDLCWFKZHNW-HNNXBMFYSA-N 2 2 350.467 0.821 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000410632229 527818626 /nfs/dbraw/zinc/81/86/26/527818626.db2.gz PNRRIDCSGVOYFU-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000410632229 527818630 /nfs/dbraw/zinc/81/86/30/527818630.db2.gz PNRRIDCSGVOYFU-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000410632229 527818637 /nfs/dbraw/zinc/81/86/37/527818637.db2.gz PNRRIDCSGVOYFU-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1C ZINC000410632229 527818640 /nfs/dbraw/zinc/81/86/40/527818640.db2.gz PNRRIDCSGVOYFU-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@@H]1C ZINC000410700407 527920754 /nfs/dbraw/zinc/92/07/54/527920754.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)C[C@@H]1C ZINC000410700407 527920760 /nfs/dbraw/zinc/92/07/60/527920760.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700407 527920763 /nfs/dbraw/zinc/92/07/63/527920763.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C[C@@H]1C ZINC000410700407 527920766 /nfs/dbraw/zinc/92/07/66/527920766.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C ZINC000410700407 527920769 /nfs/dbraw/zinc/92/07/69/527920769.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 2 2 369.554 0.269 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)C[C@@H]1C ZINC000410700407 527920773 /nfs/dbraw/zinc/92/07/73/527920773.db2.gz JUIJXKCHSSNAHH-DLBZAZTESA-N 2 2 369.554 0.269 20 0 FCADLP CCN(CC(C)(C)O)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410584109 527946215 /nfs/dbraw/zinc/94/62/15/527946215.db2.gz KUBIFAJZYGQZCW-UHFFFAOYSA-N 2 2 356.511 0.090 20 0 FCADLP CCN(CC(C)(C)O)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410584109 527946222 /nfs/dbraw/zinc/94/62/22/527946222.db2.gz KUBIFAJZYGQZCW-UHFFFAOYSA-N 2 2 356.511 0.090 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000410703846 527957197 /nfs/dbraw/zinc/95/71/97/527957197.db2.gz YMVHTFQHSVWQII-KRWDZBQOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000410703846 527957200 /nfs/dbraw/zinc/95/72/00/527957200.db2.gz YMVHTFQHSVWQII-KRWDZBQOSA-N 2 2 368.522 0.354 20 0 FCADLP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000410503299 528122152 /nfs/dbraw/zinc/12/21/52/528122152.db2.gz MMSURQRNAMBAJS-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2C1 ZINC000189394771 528327302 /nfs/dbraw/zinc/32/73/02/528327302.db2.gz FRGAMYYIDWABAO-HNNXBMFYSA-N 2 2 374.485 0.876 20 0 FCADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2C1 ZINC000189394771 528327305 /nfs/dbraw/zinc/32/73/05/528327305.db2.gz FRGAMYYIDWABAO-HNNXBMFYSA-N 2 2 374.485 0.876 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000413085328 528453125 /nfs/dbraw/zinc/45/31/25/528453125.db2.gz PBVYQDFYFYKUEQ-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000413085328 528453133 /nfs/dbraw/zinc/45/31/33/528453133.db2.gz PBVYQDFYFYKUEQ-QGZVFWFLSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC[N@@H+]1C ZINC000410730492 528710216 /nfs/dbraw/zinc/71/02/16/528710216.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+](C)CCN(C)C)CC[N@H+]1C ZINC000410730492 528710227 /nfs/dbraw/zinc/71/02/27/528710227.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH+]1C ZINC000410730492 528710234 /nfs/dbraw/zinc/71/02/34/528710234.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[NH+]1C ZINC000410730492 528710238 /nfs/dbraw/zinc/71/02/38/528710238.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[N@@H+]1C ZINC000410730492 528710246 /nfs/dbraw/zinc/71/02/46/528710246.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[N@H+]1C ZINC000410730492 528710253 /nfs/dbraw/zinc/71/02/53/528710253.db2.gz MPKNIHJXUDZYED-KRWDZBQOSA-N 2 2 369.554 0.127 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175761493 529021468 /nfs/dbraw/zinc/02/14/68/529021468.db2.gz JKHKQFSROVCOER-SJORKVTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175761493 529021476 /nfs/dbraw/zinc/02/14/76/529021476.db2.gz JKHKQFSROVCOER-SJORKVTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411017917 529074255 /nfs/dbraw/zinc/07/42/55/529074255.db2.gz CNRUWZKLHKJLPS-INIZCTEOSA-N 2 2 359.474 0.671 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000411017917 529074258 /nfs/dbraw/zinc/07/42/58/529074258.db2.gz CNRUWZKLHKJLPS-INIZCTEOSA-N 2 2 359.474 0.671 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410468071 529115166 /nfs/dbraw/zinc/11/51/66/529115166.db2.gz LQCPCDKXRMJMQR-HUUCEWRRSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410581453 529119729 /nfs/dbraw/zinc/11/97/29/529119729.db2.gz BDRRAFFYZGCADE-OWCLPIDISA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410581453 529119731 /nfs/dbraw/zinc/11/97/31/529119731.db2.gz BDRRAFFYZGCADE-OWCLPIDISA-N 2 2 374.489 0.310 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967769 529132435 /nfs/dbraw/zinc/13/24/35/529132435.db2.gz NNFYQJUOADPAQX-OXJNMPFZSA-N 2 2 358.486 0.668 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)CC1 ZINC000411967769 529132436 /nfs/dbraw/zinc/13/24/36/529132436.db2.gz NNFYQJUOADPAQX-OXJNMPFZSA-N 2 2 358.486 0.668 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424494840 535591046 /nfs/dbraw/zinc/59/10/46/535591046.db2.gz OKTDUFARGPZOBA-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CC1 ZINC000442816342 535652435 /nfs/dbraw/zinc/65/24/35/535652435.db2.gz DXDZDFKHWSYQIY-LJQANCHMSA-N 2 2 368.522 0.546 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)c[nH+]1 ZINC000419196965 535685132 /nfs/dbraw/zinc/68/51/32/535685132.db2.gz ANNDMXKIBZRMEI-OAHLLOKOSA-N 2 2 363.462 0.120 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@H]3C)c2)CC1 ZINC000440281996 535749447 /nfs/dbraw/zinc/74/94/47/535749447.db2.gz IMXKBJLEKFCOLL-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000440281996 535749451 /nfs/dbraw/zinc/74/94/51/535749451.db2.gz IMXKBJLEKFCOLL-MRXNPFEDSA-N 2 2 373.501 0.930 20 0 FCADLP C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435619419 536174021 /nfs/dbraw/zinc/17/40/21/536174021.db2.gz YDIJRDNVURUQBB-NSHDSACASA-N 2 2 374.894 1.000 20 0 FCADLP C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435619419 536174026 /nfs/dbraw/zinc/17/40/26/536174026.db2.gz YDIJRDNVURUQBB-NSHDSACASA-N 2 2 374.894 1.000 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425419230 536362946 /nfs/dbraw/zinc/36/29/46/536362946.db2.gz KMAKHDMDSZRLGT-UHFFFAOYSA-N 2 2 364.471 0.925 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425419230 536362950 /nfs/dbraw/zinc/36/29/50/536362950.db2.gz KMAKHDMDSZRLGT-UHFFFAOYSA-N 2 2 364.471 0.925 20 0 FCADLP C[NH+]1CCN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000431628899 536405318 /nfs/dbraw/zinc/40/53/18/536405318.db2.gz UJUVKTXYZINKTK-UHFFFAOYSA-N 2 2 353.511 0.570 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000423475777 536416264 /nfs/dbraw/zinc/41/62/64/536416264.db2.gz KMFJMDNUAXLEHI-ZFWWWQNUSA-N 2 2 350.488 0.774 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435610732 537058235 /nfs/dbraw/zinc/05/82/35/537058235.db2.gz MDWBOHMFCIXTQB-HNNXBMFYSA-N 2 2 362.474 0.978 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435610732 537058240 /nfs/dbraw/zinc/05/82/40/537058240.db2.gz MDWBOHMFCIXTQB-HNNXBMFYSA-N 2 2 362.474 0.978 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000119829851 546510044 /nfs/dbraw/zinc/51/00/44/546510044.db2.gz JLCLQKFUFONBAJ-OAHLLOKOSA-N 2 2 353.467 0.164 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533865081 546531427 /nfs/dbraw/zinc/53/14/27/546531427.db2.gz HOERQLZWGFDJPN-GFCCVEGCSA-N 2 2 363.443 0.496 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000533865081 546531432 /nfs/dbraw/zinc/53/14/32/546531432.db2.gz HOERQLZWGFDJPN-GFCCVEGCSA-N 2 2 363.443 0.496 20 0 FCADLP CN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830866 546534413 /nfs/dbraw/zinc/53/44/13/546534413.db2.gz PWUYPEHMKPQGNM-ZBFHGGJFSA-N 2 2 357.520 0.438 20 0 FCADLP CN(C(=O)C[C@H]1CCS(=O)(=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830866 546534415 /nfs/dbraw/zinc/53/44/15/546534415.db2.gz PWUYPEHMKPQGNM-ZBFHGGJFSA-N 2 2 357.520 0.438 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)n1C ZINC000083698436 546576859 /nfs/dbraw/zinc/57/68/59/546576859.db2.gz SHGVRGGSSYHDTP-UHFFFAOYSA-N 2 2 351.499 0.311 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)n1C ZINC000083698436 546576862 /nfs/dbraw/zinc/57/68/62/546576862.db2.gz SHGVRGGSSYHDTP-UHFFFAOYSA-N 2 2 351.499 0.311 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000434353765 546846847 /nfs/dbraw/zinc/84/68/47/546846847.db2.gz XPDIHHPBCZUSCW-KRWDZBQOSA-N 2 2 354.495 0.339 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000434353765 546846851 /nfs/dbraw/zinc/84/68/51/546846851.db2.gz XPDIHHPBCZUSCW-KRWDZBQOSA-N 2 2 354.495 0.339 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332969449 546859159 /nfs/dbraw/zinc/85/91/59/546859159.db2.gz KFZJDKRHPDVJIJ-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332969448 546859244 /nfs/dbraw/zinc/85/92/44/546859244.db2.gz KFZJDKRHPDVJIJ-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP CCCC[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377636948 546900922 /nfs/dbraw/zinc/90/09/22/546900922.db2.gz MJQBJSDXCCSIAM-CVEARBPZSA-N 2 2 353.511 0.840 20 0 FCADLP CCCC[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377636948 546900925 /nfs/dbraw/zinc/90/09/25/546900925.db2.gz MJQBJSDXCCSIAM-CVEARBPZSA-N 2 2 353.511 0.840 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000495426789 546996236 /nfs/dbraw/zinc/99/62/36/546996236.db2.gz HPMYYTBZYJYULI-QGZVFWFLSA-N 2 2 354.495 0.062 20 0 FCADLP CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+]1CCOCC1 ZINC000495426789 546996239 /nfs/dbraw/zinc/99/62/39/546996239.db2.gz HPMYYTBZYJYULI-QGZVFWFLSA-N 2 2 354.495 0.062 20 0 FCADLP CO[C@]1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOC1 ZINC000546596621 547042764 /nfs/dbraw/zinc/04/27/64/547042764.db2.gz HHFAZOGZDSLJIE-SFHVURJKSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)c2)CC1 ZINC000649308061 547072815 /nfs/dbraw/zinc/07/28/15/547072815.db2.gz GZSMPCGNFUZJJG-HNNXBMFYSA-N 2 2 366.487 0.559 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000550628201 547093210 /nfs/dbraw/zinc/09/32/10/547093210.db2.gz GWEUDFACXHYWKR-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000551267581 547137705 /nfs/dbraw/zinc/13/77/05/547137705.db2.gz DMUNVVPTGXTRHN-HOTGVXAUSA-N 2 2 359.536 0.875 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000551852207 547167747 /nfs/dbraw/zinc/16/77/47/547167747.db2.gz LRAGAPXZADGCGH-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552339350 547201139 /nfs/dbraw/zinc/20/11/39/547201139.db2.gz LCHIAOZJMRZPHX-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000552339350 547201145 /nfs/dbraw/zinc/20/11/45/547201145.db2.gz LCHIAOZJMRZPHX-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)Nc1nc(N(C)C2CC[NH+](C(C)C)CC2)nc(NCCO)[nH+]1 ZINC000552905002 547239010 /nfs/dbraw/zinc/23/90/10/547239010.db2.gz HNXODJLNIFJHNP-UHFFFAOYSA-N 2 2 351.499 0.249 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000552905002 547239012 /nfs/dbraw/zinc/23/90/12/547239012.db2.gz HNXODJLNIFJHNP-UHFFFAOYSA-N 2 2 351.499 0.249 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N(C)C2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000552905002 547239016 /nfs/dbraw/zinc/23/90/16/547239016.db2.gz HNXODJLNIFJHNP-UHFFFAOYSA-N 2 2 351.499 0.249 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H]1COCCO1 ZINC000661612641 547355160 /nfs/dbraw/zinc/35/51/60/547355160.db2.gz OGGMSLWXCFBFQX-MRXNPFEDSA-N 2 2 353.488 0.740 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H]1COCCO1 ZINC000661612641 547355163 /nfs/dbraw/zinc/35/51/63/547355163.db2.gz OGGMSLWXCFBFQX-MRXNPFEDSA-N 2 2 353.488 0.740 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000281411487 547397027 /nfs/dbraw/zinc/39/70/27/547397027.db2.gz AMNPGZDFLARFTM-UHFFFAOYSA-N 2 2 365.459 0.821 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000281411487 547397033 /nfs/dbraw/zinc/39/70/33/547397033.db2.gz AMNPGZDFLARFTM-UHFFFAOYSA-N 2 2 365.459 0.821 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736851446 598475431 /nfs/dbraw/zinc/47/54/31/598475431.db2.gz HWWVHQWRESPGKH-UHFFFAOYSA-N 2 2 358.450 0.360 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736851446 598475434 /nfs/dbraw/zinc/47/54/34/598475434.db2.gz HWWVHQWRESPGKH-UHFFFAOYSA-N 2 2 358.450 0.360 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826021641 607736545 /nfs/dbraw/zinc/73/65/45/607736545.db2.gz BLHLRXUBGRZRNJ-CYBMUJFWSA-N 2 2 358.450 0.435 20 0 FCADLP CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826021641 607736546 /nfs/dbraw/zinc/73/65/46/607736546.db2.gz BLHLRXUBGRZRNJ-CYBMUJFWSA-N 2 2 358.450 0.435 20 0 FCADLP CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000956594942 674527365 /nfs/dbraw/zinc/52/73/65/674527365.db2.gz VWNAKYBUXXFZQY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000956594942 674527368 /nfs/dbraw/zinc/52/73/68/674527368.db2.gz VWNAKYBUXXFZQY-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP O=C1[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823512613 606305692 /nfs/dbraw/zinc/30/56/92/606305692.db2.gz PPTQKKICJDJJRZ-CMPLNLGQSA-N 2 2 370.442 0.835 20 0 FCADLP O=S(=O)(CC[NH2+]CCCn1cc[nH+]c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823562357 606308818 /nfs/dbraw/zinc/30/88/18/606308818.db2.gz QWYKPXHTKOQIES-UHFFFAOYSA-N 2 2 361.431 0.517 20 0 FCADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000826170141 608374691 /nfs/dbraw/zinc/37/46/91/608374691.db2.gz PMYQKGOOLWDTST-UHFFFAOYSA-N 2 2 354.418 0.931 20 0 FCADLP CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970199770 663247571 /nfs/dbraw/zinc/24/75/71/663247571.db2.gz WASYWLQNZHZCNT-JQHSSLGASA-N 2 2 353.507 0.959 20 0 FCADLP C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099755 663310489 /nfs/dbraw/zinc/31/04/89/663310489.db2.gz VPHBDCBIUFFEKD-RYRKJORJSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099755 663310492 /nfs/dbraw/zinc/31/04/92/663310492.db2.gz VPHBDCBIUFFEKD-RYRKJORJSA-N 2 2 356.511 0.896 20 0 FCADLP [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000891411514 663385700 /nfs/dbraw/zinc/38/57/00/663385700.db2.gz KRDUOODWIMJDTM-PREGVCBESA-N 2 2 354.520 0.860 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891505910 663410429 /nfs/dbraw/zinc/41/04/29/663410429.db2.gz BLEJCVIXSLAPKT-NWDGAFQWSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891505910 663410431 /nfs/dbraw/zinc/41/04/31/663410431.db2.gz BLEJCVIXSLAPKT-NWDGAFQWSA-N 2 2 352.401 0.876 20 0 FCADLP CCCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022277202 663429229 /nfs/dbraw/zinc/42/92/29/663429229.db2.gz XQZBKGAQHOOBQI-YIYPIFLZSA-N 2 2 367.519 0.947 20 0 FCADLP CCCc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022277202 663429230 /nfs/dbraw/zinc/42/92/30/663429230.db2.gz XQZBKGAQHOOBQI-YIYPIFLZSA-N 2 2 367.519 0.947 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000934307333 663488742 /nfs/dbraw/zinc/48/87/42/663488742.db2.gz FYRQQCPFNPZKFN-CVEARBPZSA-N 2 2 359.536 0.827 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000934307333 663488744 /nfs/dbraw/zinc/48/87/44/663488744.db2.gz FYRQQCPFNPZKFN-CVEARBPZSA-N 2 2 359.536 0.827 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450147 663628176 /nfs/dbraw/zinc/62/81/76/663628176.db2.gz FJGZBBKUXFIGAF-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450147 663628180 /nfs/dbraw/zinc/62/81/80/663628180.db2.gz FJGZBBKUXFIGAF-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450147 663628182 /nfs/dbraw/zinc/62/81/82/663628182.db2.gz FJGZBBKUXFIGAF-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450147 663628184 /nfs/dbraw/zinc/62/81/84/663628184.db2.gz FJGZBBKUXFIGAF-VHDGCEQUSA-N 2 2 367.519 0.894 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3cnns3)C2)O1 ZINC001023452327 663628466 /nfs/dbraw/zinc/62/84/66/663628466.db2.gz XVRROOZURAOJNN-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3cnns3)C2)O1 ZINC001023452327 663628467 /nfs/dbraw/zinc/62/84/67/663628467.db2.gz XVRROOZURAOJNN-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cnns3)C2)O1 ZINC001023452327 663628470 /nfs/dbraw/zinc/62/84/70/663628470.db2.gz XVRROOZURAOJNN-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cnns3)C2)O1 ZINC001023452327 663628472 /nfs/dbraw/zinc/62/84/72/663628472.db2.gz XVRROOZURAOJNN-UMVBOHGHSA-N 2 2 353.492 0.585 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000892513936 663994614 /nfs/dbraw/zinc/99/46/14/663994614.db2.gz PUDIAQXFXHXGMG-AWEZNQCLSA-N 2 2 351.476 0.504 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000892514155 663995819 /nfs/dbraw/zinc/99/58/19/663995819.db2.gz XDHIMGXFQUMONT-DZGCQCFKSA-N 2 2 365.503 0.892 20 0 FCADLP CCN(CCC(=O)NC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892522008 664017474 /nfs/dbraw/zinc/01/74/74/664017474.db2.gz MQOCBCDSZSOQCW-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000726256316 664915359 /nfs/dbraw/zinc/91/53/59/664915359.db2.gz DURDNHJQAVMYNM-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000726256316 664915361 /nfs/dbraw/zinc/91/53/61/664915361.db2.gz DURDNHJQAVMYNM-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000726256316 664915363 /nfs/dbraw/zinc/91/53/63/664915363.db2.gz DURDNHJQAVMYNM-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000726256316 664915365 /nfs/dbraw/zinc/91/53/65/664915365.db2.gz DURDNHJQAVMYNM-OAGGEKHMSA-N 2 2 356.511 0.894 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028628778 664930728 /nfs/dbraw/zinc/93/07/28/664930728.db2.gz ZCRQVUZXOROLAD-MGPQQGTHSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)s1 ZINC001028628778 664930729 /nfs/dbraw/zinc/93/07/29/664930729.db2.gz ZCRQVUZXOROLAD-MGPQQGTHSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028628778 664930730 /nfs/dbraw/zinc/93/07/30/664930730.db2.gz ZCRQVUZXOROLAD-MGPQQGTHSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001028628778 664930732 /nfs/dbraw/zinc/93/07/32/664930732.db2.gz ZCRQVUZXOROLAD-MGPQQGTHSA-N 2 2 367.519 0.758 20 0 FCADLP O=C(CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957731 664961692 /nfs/dbraw/zinc/96/16/92/664961692.db2.gz AHGYUBBALQMIMD-HUUCEWRRSA-N 2 2 353.488 0.694 20 0 FCADLP O=C(CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1)N1CC[NH2+]CC1 ZINC000261957731 664961693 /nfs/dbraw/zinc/96/16/93/664961693.db2.gz AHGYUBBALQMIMD-HUUCEWRRSA-N 2 2 353.488 0.694 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984017112 665014098 /nfs/dbraw/zinc/01/40/98/665014098.db2.gz XXQOPQBMBYGBPF-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984017112 665014100 /nfs/dbraw/zinc/01/41/00/665014100.db2.gz XXQOPQBMBYGBPF-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960526539 674677713 /nfs/dbraw/zinc/67/77/13/674677713.db2.gz MFWHOUYWTRHMRA-APACUCGBSA-N 2 2 351.476 0.112 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960526539 674677717 /nfs/dbraw/zinc/67/77/17/674677717.db2.gz MFWHOUYWTRHMRA-APACUCGBSA-N 2 2 351.476 0.112 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960526539 674677721 /nfs/dbraw/zinc/67/77/21/674677721.db2.gz MFWHOUYWTRHMRA-APACUCGBSA-N 2 2 351.476 0.112 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960526539 674677726 /nfs/dbraw/zinc/67/77/26/674677726.db2.gz MFWHOUYWTRHMRA-APACUCGBSA-N 2 2 351.476 0.112 20 0 FCADLP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000895685288 665056327 /nfs/dbraw/zinc/05/63/27/665056327.db2.gz LDYDDXNVBUYMSS-RCCFBDPRSA-N 2 2 373.563 0.728 20 0 FCADLP COc1nscc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960527000 674678247 /nfs/dbraw/zinc/67/82/47/674678247.db2.gz MXXXMOMJOOBEAF-LFHLZQBKSA-N 2 2 366.487 0.417 20 0 FCADLP COc1nscc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960527000 674678250 /nfs/dbraw/zinc/67/82/50/674678250.db2.gz MXXXMOMJOOBEAF-LFHLZQBKSA-N 2 2 366.487 0.417 20 0 FCADLP COc1nscc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960527000 674678252 /nfs/dbraw/zinc/67/82/52/674678252.db2.gz MXXXMOMJOOBEAF-LFHLZQBKSA-N 2 2 366.487 0.417 20 0 FCADLP COc1nscc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960527000 674678256 /nfs/dbraw/zinc/67/82/56/674678256.db2.gz MXXXMOMJOOBEAF-LFHLZQBKSA-N 2 2 366.487 0.417 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000896593559 665098767 /nfs/dbraw/zinc/09/87/67/665098767.db2.gz BUTUZTAEJQWAOV-LSDHHAIUSA-N 2 2 367.519 0.945 20 0 FCADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC000896593559 665098769 /nfs/dbraw/zinc/09/87/69/665098769.db2.gz BUTUZTAEJQWAOV-LSDHHAIUSA-N 2 2 367.519 0.945 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000897359053 665194488 /nfs/dbraw/zinc/19/44/88/665194488.db2.gz KMZSZXSMASZYAF-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000897359053 665194489 /nfs/dbraw/zinc/19/44/89/665194489.db2.gz KMZSZXSMASZYAF-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000897359053 665194490 /nfs/dbraw/zinc/19/44/90/665194490.db2.gz KMZSZXSMASZYAF-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000897359053 665194492 /nfs/dbraw/zinc/19/44/92/665194492.db2.gz KMZSZXSMASZYAF-HNNXBMFYSA-N 2 2 354.495 0.012 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000907518056 666141598 /nfs/dbraw/zinc/14/15/98/666141598.db2.gz MBKPZXOIJPXPKM-BZUAXINKSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000907518056 666141599 /nfs/dbraw/zinc/14/15/99/666141599.db2.gz MBKPZXOIJPXPKM-BZUAXINKSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000907518056 666141601 /nfs/dbraw/zinc/14/16/01/666141601.db2.gz MBKPZXOIJPXPKM-BZUAXINKSA-N 2 2 355.479 0.175 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000907518056 666141602 /nfs/dbraw/zinc/14/16/02/666141602.db2.gz MBKPZXOIJPXPKM-BZUAXINKSA-N 2 2 355.479 0.175 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000907589665 666145712 /nfs/dbraw/zinc/14/57/12/666145712.db2.gz UXRRSDWMJKWJKG-QGZVFWFLSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000907589665 666145713 /nfs/dbraw/zinc/14/57/13/666145713.db2.gz UXRRSDWMJKWJKG-QGZVFWFLSA-N 2 2 354.539 0.706 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000908527424 666210538 /nfs/dbraw/zinc/21/05/38/666210538.db2.gz UIECKUJALUFHBK-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000908527424 666210540 /nfs/dbraw/zinc/21/05/40/666210540.db2.gz UIECKUJALUFHBK-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000908527424 666210542 /nfs/dbraw/zinc/21/05/42/666210542.db2.gz UIECKUJALUFHBK-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000908527424 666210547 /nfs/dbraw/zinc/21/05/47/666210547.db2.gz UIECKUJALUFHBK-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540797 666211225 /nfs/dbraw/zinc/21/12/25/666211225.db2.gz OLLKAUOUJMYMNV-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540797 666211228 /nfs/dbraw/zinc/21/12/28/666211228.db2.gz OLLKAUOUJMYMNV-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000908540797 666211231 /nfs/dbraw/zinc/21/12/31/666211231.db2.gz OLLKAUOUJMYMNV-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000908540797 666211234 /nfs/dbraw/zinc/21/12/34/666211234.db2.gz OLLKAUOUJMYMNV-HZPDHXFCSA-N 2 2 355.479 0.225 20 0 FCADLP O=C(NCC[NH+]1CCC(O)CC1)c1cccn1CC[NH+]1CCOCC1 ZINC000909270500 666228970 /nfs/dbraw/zinc/22/89/70/666228970.db2.gz VGHOBAPTRQCATQ-UHFFFAOYSA-N 2 2 350.463 0.007 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911561949 666366309 /nfs/dbraw/zinc/36/63/09/666366309.db2.gz ILIYZAUNYLRJRP-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000911561949 666366311 /nfs/dbraw/zinc/36/63/11/666366311.db2.gz ILIYZAUNYLRJRP-OWCLPIDISA-N 2 2 354.495 0.202 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C)C[C@@H]3CO)CC2)CC1 ZINC000912738293 666470114 /nfs/dbraw/zinc/47/01/14/666470114.db2.gz AYZVEWNYMWQXLU-GOSISDBHSA-N 2 2 352.523 0.318 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992697 666490437 /nfs/dbraw/zinc/49/04/37/666490437.db2.gz KTXWWHULORPCFQ-QFBILLFUSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000912992697 666490439 /nfs/dbraw/zinc/49/04/39/666490439.db2.gz KTXWWHULORPCFQ-QFBILLFUSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000912992697 666490441 /nfs/dbraw/zinc/49/04/41/666490441.db2.gz KTXWWHULORPCFQ-QFBILLFUSA-N 2 2 353.507 0.840 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000912992697 666490443 /nfs/dbraw/zinc/49/04/43/666490443.db2.gz KTXWWHULORPCFQ-QFBILLFUSA-N 2 2 353.507 0.840 20 0 FCADLP C[NH+]1CCC(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000069438846 666512906 /nfs/dbraw/zinc/51/29/06/666512906.db2.gz QAILLRANNPVVLU-UHFFFAOYSA-N 2 2 374.551 0.527 20 0 FCADLP CCOC(=O)[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000349354433 666548520 /nfs/dbraw/zinc/54/85/20/666548520.db2.gz YYXBEGNCABPUPH-CQSZACIVSA-N 2 2 352.435 0.029 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CN3CCCCS3(=O)=O)c2)CC1 ZINC000913666167 666640319 /nfs/dbraw/zinc/64/03/19/666640319.db2.gz UQDUQJWDKNOVEE-UHFFFAOYSA-N 2 2 367.475 0.198 20 0 FCADLP CC(C)(CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000913877103 666661145 /nfs/dbraw/zinc/66/11/45/666661145.db2.gz WLHQTZKMPOVQDZ-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC(C)(CNC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000913877103 666661152 /nfs/dbraw/zinc/66/11/52/666661152.db2.gz WLHQTZKMPOVQDZ-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287387 666905579 /nfs/dbraw/zinc/90/55/79/666905579.db2.gz ZOCKHBWULAXGIC-HOCLYGCPSA-N 2 2 352.479 0.750 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCC34OCCO4)C2)CC1 ZINC000888287387 666905583 /nfs/dbraw/zinc/90/55/83/666905583.db2.gz ZOCKHBWULAXGIC-HOCLYGCPSA-N 2 2 352.479 0.750 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734268094 666959837 /nfs/dbraw/zinc/95/98/37/666959837.db2.gz HXPLTFZQNGDVPQ-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000916002629 666986123 /nfs/dbraw/zinc/98/61/23/666986123.db2.gz IMHDVPRUSGLZCK-INIZCTEOSA-N 2 2 357.568 0.199 20 0 FCADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000917006395 667044397 /nfs/dbraw/zinc/04/43/97/667044397.db2.gz BUCSANAOTXMFLR-ZOBUZTSGSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000917006395 667044401 /nfs/dbraw/zinc/04/44/01/667044401.db2.gz BUCSANAOTXMFLR-ZOBUZTSGSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnsn3)CC2)O1 ZINC000997856125 667177831 /nfs/dbraw/zinc/17/78/31/667177831.db2.gz QNITZHVXJZXGMA-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cnsn3)CC2)O1 ZINC000997856125 667177832 /nfs/dbraw/zinc/17/78/32/667177832.db2.gz QNITZHVXJZXGMA-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC000961849536 674831050 /nfs/dbraw/zinc/83/10/50/674831050.db2.gz PCDUELXMAVOOEV-BLYZHGLHSA-N 2 2 366.535 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC000961849536 674831059 /nfs/dbraw/zinc/83/10/59/674831059.db2.gz PCDUELXMAVOOEV-BLYZHGLHSA-N 2 2 366.535 0.929 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000922348053 667642707 /nfs/dbraw/zinc/64/27/07/667642707.db2.gz RZHCEJHZMIMNBO-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000922348053 667642708 /nfs/dbraw/zinc/64/27/08/667642708.db2.gz RZHCEJHZMIMNBO-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccns3)CCO2)CC[N@@H+]1C ZINC001035373955 667777520 /nfs/dbraw/zinc/77/75/20/667777520.db2.gz ZQNSQDUURGPAHY-IIAWOOMASA-N 2 2 352.504 0.843 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCc3ccns3)CCO2)CC[N@H+]1C ZINC001035373955 667777522 /nfs/dbraw/zinc/77/75/22/667777522.db2.gz ZQNSQDUURGPAHY-IIAWOOMASA-N 2 2 352.504 0.843 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCc3ccns3)CCO2)CC[NH+]1C ZINC001035373955 667777524 /nfs/dbraw/zinc/77/75/24/667777524.db2.gz ZQNSQDUURGPAHY-IIAWOOMASA-N 2 2 352.504 0.843 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCc3ccns3)CCO2)CC[NH+]1C ZINC001035373955 667777529 /nfs/dbraw/zinc/77/75/29/667777529.db2.gz ZQNSQDUURGPAHY-IIAWOOMASA-N 2 2 352.504 0.843 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923331777 667826477 /nfs/dbraw/zinc/82/64/77/667826477.db2.gz GCLCGQSBXHEKBM-CVEARBPZSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000923331777 667826481 /nfs/dbraw/zinc/82/64/81/667826481.db2.gz GCLCGQSBXHEKBM-CVEARBPZSA-N 2 2 351.422 0.462 20 0 FCADLP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923489005 667840842 /nfs/dbraw/zinc/84/08/42/667840842.db2.gz MYDGBJPUHQKXNN-ZBFHGGJFSA-N 2 2 357.520 0.615 20 0 FCADLP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000923489005 667840847 /nfs/dbraw/zinc/84/08/47/667840847.db2.gz MYDGBJPUHQKXNN-ZBFHGGJFSA-N 2 2 357.520 0.615 20 0 FCADLP CCOC[C@@H]1C(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)N1C ZINC000761181431 667880867 /nfs/dbraw/zinc/88/08/67/667880867.db2.gz AIHVODCFARRXJZ-MRXNPFEDSA-N 2 2 352.479 0.844 20 0 FCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764466376 667984400 /nfs/dbraw/zinc/98/44/00/667984400.db2.gz KABSPNVWGRVTCR-IAGOWNOFSA-N 2 2 361.552 0.396 20 0 FCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764466376 667984401 /nfs/dbraw/zinc/98/44/01/667984401.db2.gz KABSPNVWGRVTCR-IAGOWNOFSA-N 2 2 361.552 0.396 20 0 FCADLP CCOC1CC(CNC(=S)NCCC[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000766523317 668031012 /nfs/dbraw/zinc/03/10/12/668031012.db2.gz XNZNXAIKCLDDEE-UHFFFAOYSA-N 2 2 358.552 0.672 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742608580 668038439 /nfs/dbraw/zinc/03/84/39/668038439.db2.gz FTQZBEZSWZSHJP-CHWSQXEVSA-N 2 2 355.508 0.417 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742608580 668038442 /nfs/dbraw/zinc/03/84/42/668038442.db2.gz FTQZBEZSWZSHJP-CHWSQXEVSA-N 2 2 355.508 0.417 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCS[C@@H]3COCC[C@H]31)C2=O ZINC000767781645 668060287 /nfs/dbraw/zinc/06/02/87/668060287.db2.gz JCYUCJVMQQQFFE-CHWSQXEVSA-N 2 2 354.476 0.166 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCS[C@@H]3COCC[C@H]31)C2=O ZINC000767781645 668060291 /nfs/dbraw/zinc/06/02/91/668060291.db2.gz JCYUCJVMQQQFFE-CHWSQXEVSA-N 2 2 354.476 0.166 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCS[C@@H]3COCC[C@@H]31)C2=O ZINC000767781654 668060424 /nfs/dbraw/zinc/06/04/24/668060424.db2.gz JCYUCJVMQQQFFE-QWHCGFSZSA-N 2 2 354.476 0.166 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCS[C@@H]3COCC[C@@H]31)C2=O ZINC000767781654 668060427 /nfs/dbraw/zinc/06/04/27/668060427.db2.gz JCYUCJVMQQQFFE-QWHCGFSZSA-N 2 2 354.476 0.166 20 0 FCADLP CC[NH+](CC)CCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787001743 668785356 /nfs/dbraw/zinc/78/53/56/668785356.db2.gz YTFCNRJLBTZUCR-MRXNPFEDSA-N 2 2 355.479 0.585 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000787136184 668788969 /nfs/dbraw/zinc/78/89/69/668788969.db2.gz ATYIBEAMRHYTLP-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000787136184 668788971 /nfs/dbraw/zinc/78/89/71/668788971.db2.gz ATYIBEAMRHYTLP-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000787136184 668788973 /nfs/dbraw/zinc/78/89/73/668788973.db2.gz ATYIBEAMRHYTLP-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000787136184 668788975 /nfs/dbraw/zinc/78/89/75/668788975.db2.gz ATYIBEAMRHYTLP-CVEARBPZSA-N 2 2 354.495 0.602 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000819078727 668976933 /nfs/dbraw/zinc/97/69/33/668976933.db2.gz YCKMXRMPEOFSGC-QAPCUYQASA-N 2 2 355.429 0.994 20 0 FCADLP CNC(=O)[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1c1cnn(C)c1 ZINC000809679743 669636257 /nfs/dbraw/zinc/63/62/57/669636257.db2.gz GGNZSCWUKZBQPP-CABCVRRESA-N 2 2 362.503 0.900 20 0 FCADLP CNC(=O)[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1c1cnn(C)c1 ZINC000809679743 669636260 /nfs/dbraw/zinc/63/62/60/669636260.db2.gz GGNZSCWUKZBQPP-CABCVRRESA-N 2 2 362.503 0.900 20 0 FCADLP C[C@@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H]1CCC[NH2+]C1 ZINC000829115994 669684356 /nfs/dbraw/zinc/68/43/56/669684356.db2.gz MZALIVBSVOCSNB-GJZGRUSLSA-N 2 2 359.536 0.637 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000829117231 669685048 /nfs/dbraw/zinc/68/50/48/669685048.db2.gz ZQRWSRZDZGCMCC-MRXNPFEDSA-N 2 2 353.488 0.354 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=S)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000843280972 670792009 /nfs/dbraw/zinc/79/20/09/670792009.db2.gz YHKHJLHNCLJVDI-IYBDPMFKSA-N 2 2 358.552 0.624 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=S)NCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000843280972 670792011 /nfs/dbraw/zinc/79/20/11/670792011.db2.gz YHKHJLHNCLJVDI-IYBDPMFKSA-N 2 2 358.552 0.624 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000844905488 670955001 /nfs/dbraw/zinc/95/50/01/670955001.db2.gz LTVLTEJEKGPXNM-KRWDZBQOSA-N 2 2 356.511 0.851 20 0 FCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845063131 670961785 /nfs/dbraw/zinc/96/17/85/670961785.db2.gz XOEBNNGUMFRMTO-IKGGRYGDSA-N 2 2 352.479 0.090 20 0 FCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845063131 670961788 /nfs/dbraw/zinc/96/17/88/670961788.db2.gz XOEBNNGUMFRMTO-IKGGRYGDSA-N 2 2 352.479 0.090 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821863 671152020 /nfs/dbraw/zinc/15/20/20/671152020.db2.gz WJUUZWVIJKZAFJ-HZPDHXFCSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821863 671152021 /nfs/dbraw/zinc/15/20/21/671152021.db2.gz WJUUZWVIJKZAFJ-HZPDHXFCSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821863 671152025 /nfs/dbraw/zinc/15/20/25/671152025.db2.gz WJUUZWVIJKZAFJ-HZPDHXFCSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000846821863 671152029 /nfs/dbraw/zinc/15/20/29/671152029.db2.gz WJUUZWVIJKZAFJ-HZPDHXFCSA-N 2 2 350.463 0.671 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957558 671162016 /nfs/dbraw/zinc/16/20/16/671162016.db2.gz LLCUIYYGWJGFNH-MJBXVCDLSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957558 671162020 /nfs/dbraw/zinc/16/20/20/671162020.db2.gz LLCUIYYGWJGFNH-MJBXVCDLSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957558 671162022 /nfs/dbraw/zinc/16/20/22/671162022.db2.gz LLCUIYYGWJGFNH-MJBXVCDLSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000846957558 671162027 /nfs/dbraw/zinc/16/20/27/671162027.db2.gz LLCUIYYGWJGFNH-MJBXVCDLSA-N 2 2 367.412 0.268 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004086 671165721 /nfs/dbraw/zinc/16/57/21/671165721.db2.gz NAJYZEDYHWWZBU-WMLDXEAASA-N 2 2 350.463 0.806 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000847004086 671165724 /nfs/dbraw/zinc/16/57/24/671165724.db2.gz NAJYZEDYHWWZBU-WMLDXEAASA-N 2 2 350.463 0.806 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC000109395197 671387302 /nfs/dbraw/zinc/38/73/02/671387302.db2.gz QQXVXAPLXSDWRH-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP CSCC[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000804006843 675985681 /nfs/dbraw/zinc/98/56/81/675985681.db2.gz BCICEIKRQWWVLN-CQSZACIVSA-N 2 2 370.563 0.919 20 0 FCADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(F)(F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865915800 672255304 /nfs/dbraw/zinc/25/53/04/672255304.db2.gz HMEIJTSIKSPGJQ-TXEJJXNPSA-N 2 2 356.417 0.328 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000865915800 672255311 /nfs/dbraw/zinc/25/53/11/672255311.db2.gz HMEIJTSIKSPGJQ-TXEJJXNPSA-N 2 2 356.417 0.328 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000865915800 672255315 /nfs/dbraw/zinc/25/53/15/672255315.db2.gz HMEIJTSIKSPGJQ-TXEJJXNPSA-N 2 2 356.417 0.328 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923622130 672505716 /nfs/dbraw/zinc/50/57/16/672505716.db2.gz FHYGTXGCVMRANI-UHFFFAOYSA-N 2 2 367.519 0.770 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000875014725 672817972 /nfs/dbraw/zinc/81/79/72/672817972.db2.gz LCULVPQLZKMXQE-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000875014725 672817978 /nfs/dbraw/zinc/81/79/78/672817978.db2.gz LCULVPQLZKMXQE-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000875014725 672817982 /nfs/dbraw/zinc/81/79/82/672817982.db2.gz LCULVPQLZKMXQE-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000875014725 672817988 /nfs/dbraw/zinc/81/79/88/672817988.db2.gz LCULVPQLZKMXQE-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042553 672822307 /nfs/dbraw/zinc/82/23/07/672822307.db2.gz VXYMHFGXLLEYJZ-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042553 672822311 /nfs/dbraw/zinc/82/23/11/672822311.db2.gz VXYMHFGXLLEYJZ-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042553 672822316 /nfs/dbraw/zinc/82/23/16/672822316.db2.gz VXYMHFGXLLEYJZ-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875042553 672822321 /nfs/dbraw/zinc/82/23/21/672822321.db2.gz VXYMHFGXLLEYJZ-IXDOHACOSA-N 2 2 356.511 0.896 20 0 FCADLP CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001050102182 676079055 /nfs/dbraw/zinc/07/90/55/676079055.db2.gz OMRROCXGXCUPLX-MLHJIOFPSA-N 2 2 351.491 0.809 20 0 FCADLP CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001050102182 676079062 /nfs/dbraw/zinc/07/90/62/676079062.db2.gz OMRROCXGXCUPLX-MLHJIOFPSA-N 2 2 351.491 0.809 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877521780 673017957 /nfs/dbraw/zinc/01/79/57/673017957.db2.gz DKAIMYXAFDNGHF-SFHVURJKSA-N 2 2 350.511 0.915 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877521780 673017963 /nfs/dbraw/zinc/01/79/63/673017963.db2.gz DKAIMYXAFDNGHF-SFHVURJKSA-N 2 2 350.511 0.915 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197653 673046526 /nfs/dbraw/zinc/04/65/26/673046526.db2.gz GCUXPVLHJWWDFC-IRXDYDNUSA-N 2 2 351.491 0.811 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878197653 673046532 /nfs/dbraw/zinc/04/65/32/673046532.db2.gz GCUXPVLHJWWDFC-IRXDYDNUSA-N 2 2 351.491 0.811 20 0 FCADLP CCN(C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000879247036 673106668 /nfs/dbraw/zinc/10/66/68/673106668.db2.gz LCVCNHSNHFQKIB-MRXNPFEDSA-N 2 2 371.547 0.830 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000879354822 673114044 /nfs/dbraw/zinc/11/40/44/673114044.db2.gz OXGBDPOEWJOACL-OAHLLOKOSA-N 2 2 354.495 0.949 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000879354822 673114046 /nfs/dbraw/zinc/11/40/46/673114046.db2.gz OXGBDPOEWJOACL-OAHLLOKOSA-N 2 2 354.495 0.949 20 0 FCADLP Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)n1 ZINC001051678848 676108497 /nfs/dbraw/zinc/10/84/97/676108497.db2.gz FDWXFRNAZAGPJC-RBSFLKMASA-N 2 2 368.503 0.488 20 0 FCADLP Cc1csc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)n1 ZINC001051678848 676108499 /nfs/dbraw/zinc/10/84/99/676108499.db2.gz FDWXFRNAZAGPJC-RBSFLKMASA-N 2 2 368.503 0.488 20 0 FCADLP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681676 676108823 /nfs/dbraw/zinc/10/88/23/676108823.db2.gz YTGIQCMDIFCOHB-QLFBSQMISA-N 2 2 352.435 0.019 20 0 FCADLP Cc1cnc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)o1 ZINC001051681676 676108825 /nfs/dbraw/zinc/10/88/25/676108825.db2.gz YTGIQCMDIFCOHB-QLFBSQMISA-N 2 2 352.435 0.019 20 0 FCADLP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254359 673183779 /nfs/dbraw/zinc/18/37/79/673183779.db2.gz UHUDEGXQEGRPMP-HOTGVXAUSA-N 2 2 357.495 0.205 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051833906 676111774 /nfs/dbraw/zinc/11/17/74/676111774.db2.gz AITBPYVHGUVONP-IACUBPJLSA-N 2 2 362.459 0.392 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883117862 673366851 /nfs/dbraw/zinc/36/68/51/673366851.db2.gz JRVUVRUNTUNRSI-DOTOQJQBSA-N 2 2 354.495 0.650 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000883437665 673375505 /nfs/dbraw/zinc/37/55/05/673375505.db2.gz XYJQWNONHLXKQA-MRXNPFEDSA-N 2 2 352.479 0.357 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000884228317 673440010 /nfs/dbraw/zinc/44/00/10/673440010.db2.gz NKDZCFARCUKOSO-IMJJTQAJSA-N 2 2 353.488 0.528 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000884228317 673440012 /nfs/dbraw/zinc/44/00/12/673440012.db2.gz NKDZCFARCUKOSO-IMJJTQAJSA-N 2 2 353.488 0.528 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884308041 673445636 /nfs/dbraw/zinc/44/56/36/673445636.db2.gz CSNRIVIWEBFREA-HNNXBMFYSA-N 2 2 359.467 0.478 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884674295 673471531 /nfs/dbraw/zinc/47/15/31/673471531.db2.gz ROEDRPBGHCIZPB-CQSZACIVSA-N 2 2 363.487 0.119 20 0 FCADLP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000884774934 673481156 /nfs/dbraw/zinc/48/11/56/673481156.db2.gz VDGUORRWGALRCO-SOUVJXGZSA-N 2 2 354.495 0.330 20 0 FCADLP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000884774934 673481158 /nfs/dbraw/zinc/48/11/58/673481158.db2.gz VDGUORRWGALRCO-SOUVJXGZSA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887303497 673626982 /nfs/dbraw/zinc/62/69/82/673626982.db2.gz VSIQPRLKWJKZEY-FZMZJTMJSA-N 2 2 351.369 0.719 20 0 FCADLP CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887303497 673626983 /nfs/dbraw/zinc/62/69/83/673626983.db2.gz VSIQPRLKWJKZEY-FZMZJTMJSA-N 2 2 351.369 0.719 20 0 FCADLP CN(C(=O)NCCO[C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000927520710 673865407 /nfs/dbraw/zinc/86/54/07/673865407.db2.gz DQGIEFRWYITXMV-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)NCCO[C@@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000927520710 673865410 /nfs/dbraw/zinc/86/54/10/673865410.db2.gz DQGIEFRWYITXMV-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000927633301 673871490 /nfs/dbraw/zinc/87/14/90/673871490.db2.gz NOMMSCKFNURRKN-SJORKVTESA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000927633301 673871491 /nfs/dbraw/zinc/87/14/91/673871491.db2.gz NOMMSCKFNURRKN-SJORKVTESA-N 2 2 352.479 0.356 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927637920 673873436 /nfs/dbraw/zinc/87/34/36/673873436.db2.gz IXRZJMNVYTXSHI-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927637920 673873438 /nfs/dbraw/zinc/87/34/38/673873438.db2.gz IXRZJMNVYTXSHI-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000968977024 675257707 /nfs/dbraw/zinc/25/77/07/675257707.db2.gz TYAJIYKXADLTEM-RBSFLKMASA-N 2 2 366.487 0.529 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000968977024 675257713 /nfs/dbraw/zinc/25/77/13/675257713.db2.gz TYAJIYKXADLTEM-RBSFLKMASA-N 2 2 366.487 0.529 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014919854 675393008 /nfs/dbraw/zinc/39/30/08/675393008.db2.gz KMAWHRWRZMODPO-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014919854 675393009 /nfs/dbraw/zinc/39/30/09/675393009.db2.gz KMAWHRWRZMODPO-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014919854 675393010 /nfs/dbraw/zinc/39/30/10/675393010.db2.gz KMAWHRWRZMODPO-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014919854 675393011 /nfs/dbraw/zinc/39/30/11/675393011.db2.gz KMAWHRWRZMODPO-HACGYAERSA-N 2 2 350.463 0.955 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019176779 675422596 /nfs/dbraw/zinc/42/25/96/675422596.db2.gz MFHYCIAFCURRRC-KSZLIROESA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)O1 ZINC001020287655 675439851 /nfs/dbraw/zinc/43/98/51/675439851.db2.gz FJLPGSUYSWECJQ-GWOFURMSSA-N 2 2 359.377 0.463 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)O1 ZINC001020287655 675439853 /nfs/dbraw/zinc/43/98/53/675439853.db2.gz FJLPGSUYSWECJQ-GWOFURMSSA-N 2 2 359.377 0.463 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900014636 675659305 /nfs/dbraw/zinc/65/93/05/675659305.db2.gz MZKMSWRPARUWQI-SFHVURJKSA-N 2 2 354.539 0.876 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900014636 675659307 /nfs/dbraw/zinc/65/93/07/675659307.db2.gz MZKMSWRPARUWQI-SFHVURJKSA-N 2 2 354.539 0.876 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000900603519 675698988 /nfs/dbraw/zinc/69/89/88/675698988.db2.gz WWOKNRTVLZOKMV-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000900603519 675699001 /nfs/dbraw/zinc/69/90/01/675699001.db2.gz WWOKNRTVLZOKMV-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900646671 675703447 /nfs/dbraw/zinc/70/34/47/675703447.db2.gz NXMJOERAKIMVPN-HOTGVXAUSA-N 2 2 357.520 0.629 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900646671 675703449 /nfs/dbraw/zinc/70/34/49/675703449.db2.gz NXMJOERAKIMVPN-HOTGVXAUSA-N 2 2 357.520 0.629 20 0 FCADLP O=C1NCC2(CC[NH+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)O1 ZINC000902502962 675855216 /nfs/dbraw/zinc/85/52/16/675855216.db2.gz OHTGATKMUQFNRR-QGZVFWFLSA-N 2 2 350.419 0.435 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C)[NH+](C)C ZINC001020592152 1168127612 /nfs/dbraw/zinc/12/76/12/1168127612.db2.gz MOCUAVOQWKZEKP-OTJKEOIZSA-N 2 2 361.490 0.969 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001020598747 1168137535 /nfs/dbraw/zinc/13/75/35/1168137535.db2.gz QOYMXFDMIFTZRE-XZDPQHSOSA-N 2 2 370.457 0.834 20 0 FCADLP COc1nccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001020604146 1168149867 /nfs/dbraw/zinc/14/98/67/1168149867.db2.gz ZGSFALJFCYNMIJ-KBUPBQIOSA-N 2 2 356.430 0.759 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nnnn2C)CC[N@@H+]1C ZINC001021263466 1168883946 /nfs/dbraw/zinc/88/39/46/1168883946.db2.gz YMUKMKJLXBGQLI-GWONACJQSA-N 2 2 361.494 0.552 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2nnnn2C)CC[N@H+]1C ZINC001021263466 1168883947 /nfs/dbraw/zinc/88/39/47/1168883947.db2.gz YMUKMKJLXBGQLI-GWONACJQSA-N 2 2 361.494 0.552 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnnn2C)CC[NH+]1C ZINC001021263466 1168883948 /nfs/dbraw/zinc/88/39/48/1168883948.db2.gz YMUKMKJLXBGQLI-GWONACJQSA-N 2 2 361.494 0.552 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnnn2C)CC[NH+]1C ZINC001021263466 1168883950 /nfs/dbraw/zinc/88/39/50/1168883950.db2.gz YMUKMKJLXBGQLI-GWONACJQSA-N 2 2 361.494 0.552 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000970639224 1169229176 /nfs/dbraw/zinc/22/91/76/1169229176.db2.gz YIKBESGTUGYMQY-VUCTXSBTSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000970639224 1169229188 /nfs/dbraw/zinc/22/91/88/1169229188.db2.gz YIKBESGTUGYMQY-VUCTXSBTSA-N 2 2 371.441 0.349 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083207780 1169781675 /nfs/dbraw/zinc/78/16/75/1169781675.db2.gz OAQLOESBLSYYDQ-ZWKOTPCHSA-N 2 2 356.426 0.556 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]21 ZINC001083207780 1169781685 /nfs/dbraw/zinc/78/16/85/1169781685.db2.gz OAQLOESBLSYYDQ-ZWKOTPCHSA-N 2 2 356.426 0.556 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)cc1 ZINC000970952312 1169839104 /nfs/dbraw/zinc/83/91/04/1169839104.db2.gz JSLYIOUHDYXMHI-SJORKVTESA-N 2 2 371.441 0.016 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001021662632 1169870095 /nfs/dbraw/zinc/87/00/95/1169870095.db2.gz MFGYXSMGJJTLGZ-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001021699126 1169893718 /nfs/dbraw/zinc/89/37/18/1169893718.db2.gz LZSDJIJZQBNMIL-ARFHVFGLSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001021699126 1169893719 /nfs/dbraw/zinc/89/37/19/1169893719.db2.gz LZSDJIJZQBNMIL-ARFHVFGLSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001021714454 1169921125 /nfs/dbraw/zinc/92/11/25/1169921125.db2.gz MEVHJCJFNCIABJ-JKSUJKDBSA-N 2 2 356.430 0.456 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000988725317 1192408062 /nfs/dbraw/zinc/40/80/62/1192408062.db2.gz DKZUYKBSHZPSMD-PMPSAXMXSA-N 2 2 371.485 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988727890 1192409383 /nfs/dbraw/zinc/40/93/83/1192409383.db2.gz PGRBIJJJWMRYMU-OAGGEKHMSA-N 2 2 359.474 0.647 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000937941378 1192409679 /nfs/dbraw/zinc/40/96/79/1192409679.db2.gz VPXMYJKHIBQVDK-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000937941378 1192409688 /nfs/dbraw/zinc/40/96/88/1192409688.db2.gz VPXMYJKHIBQVDK-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001021997570 1170368149 /nfs/dbraw/zinc/36/81/49/1170368149.db2.gz VNYLBDIJXMPLEN-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104367244 1170650494 /nfs/dbraw/zinc/65/04/94/1170650494.db2.gz NDXNPKMBSUDFAR-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001022195530 1170722412 /nfs/dbraw/zinc/72/24/12/1170722412.db2.gz KHHJMQHGVBSYLL-YQVWRLOYSA-N 2 2 371.485 0.817 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C ZINC000988749843 1192438560 /nfs/dbraw/zinc/43/85/60/1192438560.db2.gz ASZXWCARISARCX-FMKPAKJESA-N 2 2 360.458 0.690 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC000988749843 1192438562 /nfs/dbraw/zinc/43/85/62/1192438562.db2.gz ASZXWCARISARCX-FMKPAKJESA-N 2 2 360.458 0.690 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)([NH+]2CCOCC2)C1 ZINC000891858397 1171006525 /nfs/dbraw/zinc/00/65/25/1171006525.db2.gz PDGAYLIWELYHNL-DHADLLTHSA-N 2 2 366.506 0.792 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001087183603 1171066449 /nfs/dbraw/zinc/06/64/49/1171066449.db2.gz YGNMLWIWGDTNNK-VYDXJSESSA-N 2 2 371.489 0.991 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000988771456 1192460188 /nfs/dbraw/zinc/46/01/88/1192460188.db2.gz AHOKBDIIAUJVGY-PBHICJAKSA-N 2 2 361.490 0.800 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)CC1 ZINC000971961563 1171462086 /nfs/dbraw/zinc/46/20/86/1171462086.db2.gz UTAPONMNOZVFAO-HZPDHXFCSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)C1CC1 ZINC000971966103 1171470565 /nfs/dbraw/zinc/47/05/65/1171470565.db2.gz OXPBMMVUVHOJMO-RKVPGOIHSA-N 2 2 359.474 0.742 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235157 1171511203 /nfs/dbraw/zinc/51/12/03/1171511203.db2.gz PQFSYALBPHWOII-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235157 1171511213 /nfs/dbraw/zinc/51/12/13/1171511213.db2.gz PQFSYALBPHWOII-JCGIZDLHSA-N 2 2 371.441 0.827 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC000972144895 1171800316 /nfs/dbraw/zinc/80/03/16/1171800316.db2.gz VDUNIKIYQKOASO-NVXWUHKLSA-N 2 2 359.474 0.743 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972151861 1171804715 /nfs/dbraw/zinc/80/47/15/1171804715.db2.gz HLFDAWBFUNWFCT-OWCLPIDISA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972151861 1171804722 /nfs/dbraw/zinc/80/47/22/1171804722.db2.gz HLFDAWBFUNWFCT-OWCLPIDISA-N 2 2 359.474 0.884 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001022736524 1171839713 /nfs/dbraw/zinc/83/97/13/1171839713.db2.gz WXTNBGLUHQOICP-LXTVHRRPSA-N 2 2 369.473 0.967 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248220 1172002757 /nfs/dbraw/zinc/00/27/57/1172002757.db2.gz XFSYWHTXAZHUAF-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248220 1172002766 /nfs/dbraw/zinc/00/27/66/1172002766.db2.gz XFSYWHTXAZHUAF-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248220 1172002774 /nfs/dbraw/zinc/00/27/74/1172002774.db2.gz XFSYWHTXAZHUAF-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248220 1172002784 /nfs/dbraw/zinc/00/27/84/1172002784.db2.gz XFSYWHTXAZHUAF-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000892288738 1172020442 /nfs/dbraw/zinc/02/04/42/1172020442.db2.gz GLBMFMOIBUECPH-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000892288738 1172020448 /nfs/dbraw/zinc/02/04/48/1172020448.db2.gz GLBMFMOIBUECPH-ZWKOTPCHSA-N 2 2 362.474 0.483 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249573 1172024349 /nfs/dbraw/zinc/02/43/49/1172024349.db2.gz LNXQAPYTRNKMRB-BHYGNILZSA-N 2 2 357.458 0.545 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249573 1172024361 /nfs/dbraw/zinc/02/43/61/1172024361.db2.gz LNXQAPYTRNKMRB-BHYGNILZSA-N 2 2 357.458 0.545 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)o1 ZINC001083249770 1172028855 /nfs/dbraw/zinc/02/88/55/1172028855.db2.gz VVNHYYYKBKTLDT-DOTOQJQBSA-N 2 2 360.458 0.799 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)o1 ZINC001083249770 1172028864 /nfs/dbraw/zinc/02/88/64/1172028864.db2.gz VVNHYYYKBKTLDT-DOTOQJQBSA-N 2 2 360.458 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]cn4C)C[C@H]32)CC[N@@H+]1C ZINC000972415554 1172098666 /nfs/dbraw/zinc/09/86/66/1172098666.db2.gz WEJUXLCWSUIUGX-JOCBIADPSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CCc4c[nH+]cn4C)C[C@H]32)CC[N@H+]1C ZINC000972415554 1172098671 /nfs/dbraw/zinc/09/86/71/1172098671.db2.gz WEJUXLCWSUIUGX-JOCBIADPSA-N 2 2 373.501 0.752 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460600 1192503620 /nfs/dbraw/zinc/50/36/20/1192503620.db2.gz PBIJKNAYVJNWKS-SJORKVTESA-N 2 2 363.506 0.654 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460600 1192503625 /nfs/dbraw/zinc/50/36/25/1192503625.db2.gz PBIJKNAYVJNWKS-SJORKVTESA-N 2 2 363.506 0.654 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459989800 1192784366 /nfs/dbraw/zinc/78/43/66/1192784366.db2.gz LJOVCCRAOZQVEF-KRWDZBQOSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459989800 1192784371 /nfs/dbraw/zinc/78/43/71/1192784371.db2.gz LJOVCCRAOZQVEF-KRWDZBQOSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1CCc1ccnn1C ZINC001088687816 1192822656 /nfs/dbraw/zinc/82/26/56/1192822656.db2.gz UFQRKBYRCAGWIR-CJNGLKHVSA-N 2 2 360.462 0.905 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1CCc1ccnn1C ZINC001088687816 1192822659 /nfs/dbraw/zinc/82/26/59/1192822659.db2.gz UFQRKBYRCAGWIR-CJNGLKHVSA-N 2 2 360.462 0.905 20 0 FCADLP CC(C)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104440701 1178868128 /nfs/dbraw/zinc/86/81/28/1178868128.db2.gz SVTKVKAEZHRXMZ-HZPDHXFCSA-N 2 2 363.506 0.952 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104452263 1178886879 /nfs/dbraw/zinc/88/68/79/1178886879.db2.gz HPFHVZBXVTZYOO-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104452263 1178886880 /nfs/dbraw/zinc/88/68/80/1178886880.db2.gz HPFHVZBXVTZYOO-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP CNC(=O)CC1CC[NH+](CC(O)C[NH+]2CCC(CC(=O)NC)CC2)CC1 ZINC000194596748 1178897032 /nfs/dbraw/zinc/89/70/32/1178897032.db2.gz GREGCPWYVHTZGE-UHFFFAOYSA-N 2 2 368.522 0.044 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)c1nnnn1C ZINC001104468557 1179074731 /nfs/dbraw/zinc/07/47/31/1179074731.db2.gz IJTLTLQQHZVPIN-QLFBSQMISA-N 2 2 360.466 0.632 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001691442100 1179329592 /nfs/dbraw/zinc/32/95/92/1179329592.db2.gz VTRSVNFFUZOSLA-QZTJIDSGSA-N 2 2 358.486 0.930 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001691442100 1179329600 /nfs/dbraw/zinc/32/96/00/1179329600.db2.gz VTRSVNFFUZOSLA-QZTJIDSGSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001691442100 1179329611 /nfs/dbraw/zinc/32/96/11/1179329611.db2.gz VTRSVNFFUZOSLA-QZTJIDSGSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001691442100 1179329624 /nfs/dbraw/zinc/32/96/24/1179329624.db2.gz VTRSVNFFUZOSLA-QZTJIDSGSA-N 2 2 358.486 0.930 20 0 FCADLP CCC1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)COC1 ZINC001143452054 1179362357 /nfs/dbraw/zinc/36/23/57/1179362357.db2.gz BWHTTZFKCMQVFJ-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP CCC1(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)COC1 ZINC001143452054 1179362366 /nfs/dbraw/zinc/36/23/66/1179362366.db2.gz BWHTTZFKCMQVFJ-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)Nc3ccon3)C2)CC[N@@H+]1C ZINC001023377721 1179497408 /nfs/dbraw/zinc/49/74/08/1179497408.db2.gz UILJQDRTNFRDHW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)Nc3ccon3)C2)CC[N@H+]1C ZINC001023377721 1179497420 /nfs/dbraw/zinc/49/74/20/1179497420.db2.gz UILJQDRTNFRDHW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001023377721 1179497452 /nfs/dbraw/zinc/49/74/52/1179497452.db2.gz UILJQDRTNFRDHW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)Nc3ccon3)C2)CC[NH+]1C ZINC001023377721 1179497476 /nfs/dbraw/zinc/49/74/76/1179497476.db2.gz UILJQDRTNFRDHW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001691761304 1179510855 /nfs/dbraw/zinc/51/08/55/1179510855.db2.gz UODPOHWYDVQJCF-RKVPGOIHSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001691761304 1179510869 /nfs/dbraw/zinc/51/08/69/1179510869.db2.gz UODPOHWYDVQJCF-RKVPGOIHSA-N 2 2 361.490 0.832 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001087241870 1179755190 /nfs/dbraw/zinc/75/51/90/1179755190.db2.gz ROVXXQNRDHMQQP-ZBFHGGJFSA-N 2 2 359.478 0.898 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001691777591 1180038737 /nfs/dbraw/zinc/03/87/37/1180038737.db2.gz VAODECTUXSVOIB-GDBMZVCRSA-N 2 2 365.478 0.238 20 0 FCADLP CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001067462361 1180228253 /nfs/dbraw/zinc/22/82/53/1180228253.db2.gz IUEQYIQFVBIPRL-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001067462361 1180228257 /nfs/dbraw/zinc/22/82/57/1180228257.db2.gz IUEQYIQFVBIPRL-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972739334 1180691427 /nfs/dbraw/zinc/69/14/27/1180691427.db2.gz PVKYLRFPACZRFI-BFYDXBDKSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972739334 1180691456 /nfs/dbraw/zinc/69/14/56/1180691456.db2.gz PVKYLRFPACZRFI-BFYDXBDKSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972739334 1180691481 /nfs/dbraw/zinc/69/14/81/1180691481.db2.gz PVKYLRFPACZRFI-BFYDXBDKSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972739334 1180691503 /nfs/dbraw/zinc/69/15/03/1180691503.db2.gz PVKYLRFPACZRFI-BFYDXBDKSA-N 2 2 359.474 0.886 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039220 1180806862 /nfs/dbraw/zinc/80/68/62/1180806862.db2.gz ROJNKDQFXKNXHF-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001024039220 1180806863 /nfs/dbraw/zinc/80/68/63/1180806863.db2.gz ROJNKDQFXKNXHF-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000972856159 1180901579 /nfs/dbraw/zinc/90/15/79/1180901579.db2.gz IYDIRMPSJXILDC-NVXWUHKLSA-N 2 2 371.485 0.888 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493502 1181243133 /nfs/dbraw/zinc/24/31/33/1181243133.db2.gz SHFCRYJHTJSOBY-JCURWCKSSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024493502 1181243136 /nfs/dbraw/zinc/24/31/36/1181243136.db2.gz SHFCRYJHTJSOBY-JCURWCKSSA-N 2 2 371.441 0.206 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001024700549 1181491845 /nfs/dbraw/zinc/49/18/45/1181491845.db2.gz NIXGBWIIFZUNEC-HZPDHXFCSA-N 2 2 368.397 0.070 20 0 FCADLP C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000082985987 1181611561 /nfs/dbraw/zinc/61/15/61/1181611561.db2.gz KJETUJFOZPDSTH-APWZRJJASA-N 2 2 361.486 0.585 20 0 FCADLP C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000082985987 1181611567 /nfs/dbraw/zinc/61/15/67/1181611567.db2.gz KJETUJFOZPDSTH-APWZRJJASA-N 2 2 361.486 0.585 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994481 1181865180 /nfs/dbraw/zinc/86/51/80/1181865180.db2.gz LAGLWOPDHIFSJI-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000972994481 1181865182 /nfs/dbraw/zinc/86/51/82/1181865182.db2.gz LAGLWOPDHIFSJI-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]21 ZINC000972999703 1181877146 /nfs/dbraw/zinc/87/71/46/1181877146.db2.gz IEVCLGFAVNVHGD-ZHALLVOQSA-N 2 2 371.485 0.817 20 0 FCADLP O=C(N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000973411225 1182283363 /nfs/dbraw/zinc/28/33/63/1182283363.db2.gz BLCXSSNTWUUZCY-KBUPBQIOSA-N 2 2 357.458 0.905 20 0 FCADLP O=C(N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000973411225 1182283369 /nfs/dbraw/zinc/28/33/69/1182283369.db2.gz BLCXSSNTWUUZCY-KBUPBQIOSA-N 2 2 357.458 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001104729382 1182401348 /nfs/dbraw/zinc/40/13/48/1182401348.db2.gz UVSPVRUOKGWNSN-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000973619011 1182411785 /nfs/dbraw/zinc/41/17/85/1182411785.db2.gz MNGGDCDBGWIBLW-MOTUXRJWSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000973619011 1182411789 /nfs/dbraw/zinc/41/17/89/1182411789.db2.gz MNGGDCDBGWIBLW-MOTUXRJWSA-N 2 2 359.474 0.931 20 0 FCADLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc[nH+]1 ZINC000892766620 1182491152 /nfs/dbraw/zinc/49/11/52/1182491152.db2.gz PJAJHNKYZYZFIV-INIZCTEOSA-N 2 2 374.489 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104745717 1182528031 /nfs/dbraw/zinc/52/80/31/1182528031.db2.gz SBXJYYHCSMLULK-HZPDHXFCSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025793955 1182845767 /nfs/dbraw/zinc/84/57/67/1182845767.db2.gz FDGZCJNVHQOCQE-YQDWAMQRSA-N 2 2 359.478 0.456 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001025793955 1182845771 /nfs/dbraw/zinc/84/57/71/1182845771.db2.gz FDGZCJNVHQOCQE-YQDWAMQRSA-N 2 2 359.478 0.456 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001025793955 1182845773 /nfs/dbraw/zinc/84/57/73/1182845773.db2.gz FDGZCJNVHQOCQE-YQDWAMQRSA-N 2 2 359.478 0.456 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001025793955 1182845775 /nfs/dbraw/zinc/84/57/75/1182845775.db2.gz FDGZCJNVHQOCQE-YQDWAMQRSA-N 2 2 359.478 0.456 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)C2)CC1 ZINC000893021506 1182866182 /nfs/dbraw/zinc/86/61/82/1182866182.db2.gz GNSDFBRRCICZNW-KHYOSLBOSA-N 2 2 363.506 0.452 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)C2)CC1 ZINC000893021506 1182866185 /nfs/dbraw/zinc/86/61/85/1182866185.db2.gz GNSDFBRRCICZNW-KHYOSLBOSA-N 2 2 363.506 0.452 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001104836487 1182943941 /nfs/dbraw/zinc/94/39/41/1182943941.db2.gz OHTISGLRKJHCSQ-BZUAXINKSA-N 2 2 361.490 0.943 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncccn3)C2)C1 ZINC001105041687 1183089652 /nfs/dbraw/zinc/08/96/52/1183089652.db2.gz HJJOYJBHCFEWKZ-BRWVUGGUSA-N 2 2 361.490 0.772 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ncccn3)C2)C1 ZINC001105041687 1183089658 /nfs/dbraw/zinc/08/96/58/1183089658.db2.gz HJJOYJBHCFEWKZ-BRWVUGGUSA-N 2 2 361.490 0.772 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000974324423 1183108508 /nfs/dbraw/zinc/10/85/08/1183108508.db2.gz ZSVAVAZJMSSLNS-IBEHDNSVSA-N 2 2 359.474 0.629 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000974324423 1183108519 /nfs/dbraw/zinc/10/85/19/1183108519.db2.gz ZSVAVAZJMSSLNS-IBEHDNSVSA-N 2 2 359.474 0.629 20 0 FCADLP CCN(C(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C1CC1 ZINC001105105298 1183124233 /nfs/dbraw/zinc/12/42/33/1183124233.db2.gz NZDZPDHVYHRXOL-HZPDHXFCSA-N 2 2 361.490 0.968 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001026562881 1183157376 /nfs/dbraw/zinc/15/73/76/1183157376.db2.gz WCGASWXSWQSDKP-NWINJMCUSA-N 2 2 358.450 0.264 20 0 FCADLP CC(C)=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268512 1183166997 /nfs/dbraw/zinc/16/69/97/1183166997.db2.gz QPOGQZMQXGBMNS-RHSMWYFYSA-N 2 2 362.478 0.436 20 0 FCADLP CC(C)=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268512 1183167001 /nfs/dbraw/zinc/16/70/01/1183167001.db2.gz QPOGQZMQXGBMNS-RHSMWYFYSA-N 2 2 362.478 0.436 20 0 FCADLP COC[C@H](O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267947579 1183176191 /nfs/dbraw/zinc/17/61/91/1183176191.db2.gz XHWKIXRTNVBICH-BRWVUGGUSA-N 2 2 364.490 0.749 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000974470369 1183229058 /nfs/dbraw/zinc/22/90/58/1183229058.db2.gz UWTBXTMKEXVJCA-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000974470369 1183229066 /nfs/dbraw/zinc/22/90/66/1183229066.db2.gz UWTBXTMKEXVJCA-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000974565322 1183342275 /nfs/dbraw/zinc/34/22/75/1183342275.db2.gz MWMHFHUDZXWLSL-HUUCEWRRSA-N 2 2 357.458 0.640 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC000974694149 1183453257 /nfs/dbraw/zinc/45/32/57/1183453257.db2.gz RGHFEHYDJVUXAB-KYJSFNMBSA-N 2 2 359.474 0.660 20 0 FCADLP Cc1cnc(C[NH+]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723346 1183499782 /nfs/dbraw/zinc/49/97/82/1183499782.db2.gz ISAVGTVQSCRUMX-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[NH+]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723346 1183499797 /nfs/dbraw/zinc/49/97/97/1183499797.db2.gz ISAVGTVQSCRUMX-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723346 1183499810 /nfs/dbraw/zinc/49/98/10/1183499810.db2.gz ISAVGTVQSCRUMX-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C(C)(C)C2)cn1 ZINC000974723346 1183499825 /nfs/dbraw/zinc/49/98/25/1183499825.db2.gz ISAVGTVQSCRUMX-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000974940445 1183600367 /nfs/dbraw/zinc/60/03/67/1183600367.db2.gz SORWOVZSUSKKLK-GDBMZVCRSA-N 2 2 371.441 0.911 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000974942445 1183601849 /nfs/dbraw/zinc/60/18/49/1183601849.db2.gz ZQKCURBZFGQBRS-CZUORRHYSA-N 2 2 371.441 0.980 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC000975227986 1183789892 /nfs/dbraw/zinc/78/98/92/1183789892.db2.gz XQXWGHAIYRFWEK-FRFSOERESA-N 2 2 359.474 0.662 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)CCC1 ZINC000975759977 1185730439 /nfs/dbraw/zinc/73/04/39/1185730439.db2.gz FMOZHNZAADCXTR-HOCLYGCPSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000975784758 1185782664 /nfs/dbraw/zinc/78/26/64/1185782664.db2.gz CYSCRAVQZABGDK-HOTGVXAUSA-N 2 2 356.430 0.538 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)CC[N@@H+]1C ZINC000975785822 1185788005 /nfs/dbraw/zinc/78/80/05/1185788005.db2.gz RKYHUCXLJHBHQQ-TWMKSMIVSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)CC[N@H+]1C ZINC000975785822 1185788016 /nfs/dbraw/zinc/78/80/16/1185788016.db2.gz RKYHUCXLJHBHQQ-TWMKSMIVSA-N 2 2 359.474 0.673 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC000975815187 1185807970 /nfs/dbraw/zinc/80/79/70/1185807970.db2.gz CTMFZLXRYSMJPQ-XIRDDKMYSA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC000975815187 1185807973 /nfs/dbraw/zinc/80/79/73/1185807973.db2.gz CTMFZLXRYSMJPQ-XIRDDKMYSA-N 2 2 359.474 0.506 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)C1 ZINC000975816070 1185808916 /nfs/dbraw/zinc/80/89/16/1185808916.db2.gz LMYNXCCXUNHBBE-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)C1 ZINC000975816070 1185808917 /nfs/dbraw/zinc/80/89/17/1185808917.db2.gz LMYNXCCXUNHBBE-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)C1 ZINC000976026339 1185870863 /nfs/dbraw/zinc/87/08/63/1185870863.db2.gz VRCZHVUTIWAPJZ-JYJNAYRXSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)C1 ZINC000976026339 1185870864 /nfs/dbraw/zinc/87/08/64/1185870864.db2.gz VRCZHVUTIWAPJZ-JYJNAYRXSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)C1 ZINC000976029456 1185872633 /nfs/dbraw/zinc/87/26/33/1185872633.db2.gz OLDBLRNGXXIKBD-ULQDDVLXSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)C1 ZINC000976029456 1185872635 /nfs/dbraw/zinc/87/26/35/1185872635.db2.gz OLDBLRNGXXIKBD-ULQDDVLXSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000976023431 1185875250 /nfs/dbraw/zinc/87/52/50/1185875250.db2.gz DKUWMFIGBWEMMI-VYDXJSESSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000976023431 1185875251 /nfs/dbraw/zinc/87/52/51/1185875251.db2.gz DKUWMFIGBWEMMI-VYDXJSESSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000976459368 1185956981 /nfs/dbraw/zinc/95/69/81/1185956981.db2.gz RUVBSIHMIIHQIK-BZUAXINKSA-N 2 2 363.462 0.066 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000976459368 1185956989 /nfs/dbraw/zinc/95/69/89/1185956989.db2.gz RUVBSIHMIIHQIK-BZUAXINKSA-N 2 2 363.462 0.066 20 0 FCADLP COc1ncccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966081 1186243355 /nfs/dbraw/zinc/24/33/55/1186243355.db2.gz KDSZCWFTYMSGRX-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966081 1186243360 /nfs/dbraw/zinc/24/33/60/1186243360.db2.gz KDSZCWFTYMSGRX-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966081 1186243365 /nfs/dbraw/zinc/24/33/65/1186243365.db2.gz KDSZCWFTYMSGRX-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966081 1186243369 /nfs/dbraw/zinc/24/33/69/1186243369.db2.gz KDSZCWFTYMSGRX-DJIMGWMZSA-N 2 2 362.474 0.890 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000981465293 1186422455 /nfs/dbraw/zinc/42/24/55/1186422455.db2.gz KNRHVDJASISHDR-JYYAWHABSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000981465293 1186422459 /nfs/dbraw/zinc/42/24/59/1186422459.db2.gz KNRHVDJASISHDR-JYYAWHABSA-N 2 2 361.490 0.704 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000981651464 1186473695 /nfs/dbraw/zinc/47/36/95/1186473695.db2.gz SXIMPMPXBGUXDI-GOEBONIOSA-N 2 2 361.490 0.706 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006890 1186620608 /nfs/dbraw/zinc/62/06/08/1186620608.db2.gz RZIOITGSAIWGGT-MSOLQXFVSA-N 2 2 358.486 0.612 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006890 1186620612 /nfs/dbraw/zinc/62/06/12/1186620612.db2.gz RZIOITGSAIWGGT-MSOLQXFVSA-N 2 2 358.486 0.612 20 0 FCADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006890 1186620613 /nfs/dbraw/zinc/62/06/13/1186620613.db2.gz RZIOITGSAIWGGT-MSOLQXFVSA-N 2 2 358.486 0.612 20 0 FCADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982006890 1186620615 /nfs/dbraw/zinc/62/06/15/1186620615.db2.gz RZIOITGSAIWGGT-MSOLQXFVSA-N 2 2 358.486 0.612 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000982022168 1186630055 /nfs/dbraw/zinc/63/00/55/1186630055.db2.gz SQIFUVGFKUTLCW-BZUAXINKSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000982022168 1186630058 /nfs/dbraw/zinc/63/00/58/1186630058.db2.gz SQIFUVGFKUTLCW-BZUAXINKSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NC1CC1)C2 ZINC000982022408 1186630254 /nfs/dbraw/zinc/63/02/54/1186630254.db2.gz VNRDCBJRXFDAND-HZPDHXFCSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NC1CC1)C2 ZINC000982022408 1186630259 /nfs/dbraw/zinc/63/02/59/1186630259.db2.gz VNRDCBJRXFDAND-HZPDHXFCSA-N 2 2 371.485 0.727 20 0 FCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839629 1187534217 /nfs/dbraw/zinc/53/42/17/1187534217.db2.gz LTCDVNXWNGEABO-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839629 1187534221 /nfs/dbraw/zinc/53/42/21/1187534221.db2.gz LTCDVNXWNGEABO-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839629 1187534226 /nfs/dbraw/zinc/53/42/26/1187534226.db2.gz LTCDVNXWNGEABO-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000549839629 1187534231 /nfs/dbraw/zinc/53/42/31/1187534231.db2.gz LTCDVNXWNGEABO-IBGZPJMESA-N 2 2 358.490 0.543 20 0 FCADLP O=C(CC[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000332956521 1187543945 /nfs/dbraw/zinc/54/39/45/1187543945.db2.gz AOEMIIYONUXVPV-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(CC[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000332956521 1187543949 /nfs/dbraw/zinc/54/39/49/1187543949.db2.gz AOEMIIYONUXVPV-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643954 1187568559 /nfs/dbraw/zinc/56/85/59/1187568559.db2.gz QQXWBOOYRDUWDL-YXJHDRRASA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643954 1187568562 /nfs/dbraw/zinc/56/85/62/1187568562.db2.gz QQXWBOOYRDUWDL-YXJHDRRASA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643954 1187568566 /nfs/dbraw/zinc/56/85/66/1187568566.db2.gz QQXWBOOYRDUWDL-YXJHDRRASA-N 2 2 362.474 0.909 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643954 1187568569 /nfs/dbraw/zinc/56/85/69/1187568569.db2.gz QQXWBOOYRDUWDL-YXJHDRRASA-N 2 2 362.474 0.909 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644093 1187570008 /nfs/dbraw/zinc/57/00/08/1187570008.db2.gz WEODVZCZKAHKKW-IPMKNSEASA-N 2 2 359.470 0.542 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644093 1187570012 /nfs/dbraw/zinc/57/00/12/1187570012.db2.gz WEODVZCZKAHKKW-IPMKNSEASA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644093 1187570015 /nfs/dbraw/zinc/57/00/15/1187570015.db2.gz WEODVZCZKAHKKW-IPMKNSEASA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644093 1187570019 /nfs/dbraw/zinc/57/00/19/1187570019.db2.gz WEODVZCZKAHKKW-IPMKNSEASA-N 2 2 359.470 0.542 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644815 1187582165 /nfs/dbraw/zinc/58/21/65/1187582165.db2.gz CDBBHJSBMGRGEZ-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644815 1187582167 /nfs/dbraw/zinc/58/21/67/1187582167.db2.gz CDBBHJSBMGRGEZ-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644815 1187582173 /nfs/dbraw/zinc/58/21/73/1187582173.db2.gz CDBBHJSBMGRGEZ-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644815 1187582175 /nfs/dbraw/zinc/58/21/75/1187582175.db2.gz CDBBHJSBMGRGEZ-BBWFWOEESA-N 2 2 360.458 0.454 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(C4CC4)nn3C)C2)CC[N@@H+]1C ZINC001028548436 1187601432 /nfs/dbraw/zinc/60/14/32/1187601432.db2.gz AKCHJFJBEKYISG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nc(C4CC4)nn3C)C2)CC[N@H+]1C ZINC001028548436 1187601436 /nfs/dbraw/zinc/60/14/36/1187601436.db2.gz AKCHJFJBEKYISG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)C2)CC[NH+]1C ZINC001028548436 1187601441 /nfs/dbraw/zinc/60/14/41/1187601441.db2.gz AKCHJFJBEKYISG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)C2)CC[NH+]1C ZINC001028548436 1187601444 /nfs/dbraw/zinc/60/14/44/1187601444.db2.gz AKCHJFJBEKYISG-IIAWOOMASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnnn3C(C)(C)C)C2)CC[N@@H+]1C ZINC001028550086 1187602567 /nfs/dbraw/zinc/60/25/67/1187602567.db2.gz GHWKQCTVJOZLHW-QLFBSQMISA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnnn3C(C)(C)C)C2)CC[N@H+]1C ZINC001028550086 1187602571 /nfs/dbraw/zinc/60/25/71/1187602571.db2.gz GHWKQCTVJOZLHW-QLFBSQMISA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nnnn3C(C)(C)C)C2)CC[NH+]1C ZINC001028550086 1187602574 /nfs/dbraw/zinc/60/25/74/1187602574.db2.gz GHWKQCTVJOZLHW-QLFBSQMISA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nnnn3C(C)(C)C)C2)CC[NH+]1C ZINC001028550086 1187602575 /nfs/dbraw/zinc/60/25/75/1187602575.db2.gz GHWKQCTVJOZLHW-QLFBSQMISA-N 2 2 363.510 0.706 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368365 1187689873 /nfs/dbraw/zinc/68/98/73/1187689873.db2.gz LAKUDRQURVHXEK-KURKYZTESA-N 2 2 354.454 0.990 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368365 1187689874 /nfs/dbraw/zinc/68/98/74/1187689874.db2.gz LAKUDRQURVHXEK-KURKYZTESA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368365 1187689877 /nfs/dbraw/zinc/68/98/77/1187689877.db2.gz LAKUDRQURVHXEK-KURKYZTESA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001083368365 1187689882 /nfs/dbraw/zinc/68/98/82/1187689882.db2.gz LAKUDRQURVHXEK-KURKYZTESA-N 2 2 354.454 0.990 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385387 1187713323 /nfs/dbraw/zinc/71/33/23/1187713323.db2.gz MQTHXIVVYXBWBQ-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385387 1187713327 /nfs/dbraw/zinc/71/33/27/1187713327.db2.gz MQTHXIVVYXBWBQ-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385387 1187713330 /nfs/dbraw/zinc/71/33/30/1187713330.db2.gz MQTHXIVVYXBWBQ-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385387 1187713332 /nfs/dbraw/zinc/71/33/32/1187713332.db2.gz MQTHXIVVYXBWBQ-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1nnnn1C1CC1 ZINC001482141857 1187718041 /nfs/dbraw/zinc/71/80/41/1187718041.db2.gz HHAAWFUHKABRGA-IACUBPJLSA-N 2 2 358.450 0.387 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607494 1187748191 /nfs/dbraw/zinc/74/81/91/1187748191.db2.gz SKJXTFITKFZAOK-BFHYXJOUSA-N 2 2 359.430 0.100 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607494 1187748196 /nfs/dbraw/zinc/74/81/96/1187748196.db2.gz SKJXTFITKFZAOK-BFHYXJOUSA-N 2 2 359.430 0.100 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607494 1187748198 /nfs/dbraw/zinc/74/81/98/1187748198.db2.gz SKJXTFITKFZAOK-BFHYXJOUSA-N 2 2 359.430 0.100 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607494 1187748204 /nfs/dbraw/zinc/74/82/04/1187748204.db2.gz SKJXTFITKFZAOK-BFHYXJOUSA-N 2 2 359.430 0.100 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1C ZINC001028629792 1187758701 /nfs/dbraw/zinc/75/87/01/1187758701.db2.gz STONURVHCAOVAI-QLFBSQMISA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1C ZINC001028629792 1187758707 /nfs/dbraw/zinc/75/87/07/1187758707.db2.gz STONURVHCAOVAI-QLFBSQMISA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001028629792 1187758712 /nfs/dbraw/zinc/75/87/12/1187758712.db2.gz STONURVHCAOVAI-QLFBSQMISA-N 2 2 364.494 0.035 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001028629792 1187758716 /nfs/dbraw/zinc/75/87/16/1187758716.db2.gz STONURVHCAOVAI-QLFBSQMISA-N 2 2 364.494 0.035 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001746843076 1187862357 /nfs/dbraw/zinc/86/23/57/1187862357.db2.gz REWFOYTVJXNUKY-DJIMGWMZSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001746843076 1187862359 /nfs/dbraw/zinc/86/23/59/1187862359.db2.gz REWFOYTVJXNUKY-DJIMGWMZSA-N 2 2 363.506 0.950 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812022 1187911255 /nfs/dbraw/zinc/91/12/55/1187911255.db2.gz VNRMPNRQQSJVFM-FVQBIDKESA-N 2 2 370.457 0.961 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812022 1187911257 /nfs/dbraw/zinc/91/12/57/1187911257.db2.gz VNRMPNRQQSJVFM-FVQBIDKESA-N 2 2 370.457 0.961 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001270358095 1188114829 /nfs/dbraw/zinc/11/48/29/1188114829.db2.gz LBQFMGIIOVDMBU-GOSISDBHSA-N 2 2 363.462 0.055 20 0 FCADLP C[C@H](C(=O)N1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1)[NH+]1CCCC1 ZINC001270488322 1188170432 /nfs/dbraw/zinc/17/04/32/1188170432.db2.gz BQHZXUONMICIIE-BEFAXECRSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001270488269 1188170688 /nfs/dbraw/zinc/17/06/88/1188170688.db2.gz BAIJLFYURIAGTQ-ZBFHGGJFSA-N 2 2 359.474 0.617 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001270488269 1188170689 /nfs/dbraw/zinc/17/06/89/1188170689.db2.gz BAIJLFYURIAGTQ-ZBFHGGJFSA-N 2 2 359.474 0.617 20 0 FCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(-c2cccnc2)n1 ZINC000894468847 1188221332 /nfs/dbraw/zinc/22/13/32/1188221332.db2.gz FRKCBZNKJZKBHX-IBGZPJMESA-N 2 2 373.457 0.664 20 0 FCADLP CCOC(=O)Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(-c2cccnc2)n1 ZINC000894468847 1188221336 /nfs/dbraw/zinc/22/13/36/1188221336.db2.gz FRKCBZNKJZKBHX-IBGZPJMESA-N 2 2 373.457 0.664 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000550098736 1188223928 /nfs/dbraw/zinc/22/39/28/1188223928.db2.gz VCEQYPDXVYSVOK-MRXNPFEDSA-N 2 2 373.457 0.424 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000550098736 1188223932 /nfs/dbraw/zinc/22/39/32/1188223932.db2.gz VCEQYPDXVYSVOK-MRXNPFEDSA-N 2 2 373.457 0.424 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2)N1CCCC1 ZINC001112536041 1188349212 /nfs/dbraw/zinc/34/92/12/1188349212.db2.gz NGMRVZWFIZTHSC-KXBFYZLASA-N 2 2 359.474 0.793 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC000984013174 1189372336 /nfs/dbraw/zinc/37/23/36/1189372336.db2.gz IALHTCIIOMTTHX-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC000984013174 1189372345 /nfs/dbraw/zinc/37/23/45/1189372345.db2.gz IALHTCIIOMTTHX-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCc2cnn(C)c2)O1 ZINC001029356711 1189431964 /nfs/dbraw/zinc/43/19/64/1189431964.db2.gz SMYSIDUJWDVUFH-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCc2cnn(C)c2)O1 ZINC001029356711 1189431970 /nfs/dbraw/zinc/43/19/70/1189431970.db2.gz SMYSIDUJWDVUFH-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2cnn(C)c2)O1 ZINC001029356711 1189431979 /nfs/dbraw/zinc/43/19/79/1189431979.db2.gz SMYSIDUJWDVUFH-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2cnn(C)c2)O1 ZINC001029356711 1189431997 /nfs/dbraw/zinc/43/19/97/1189431997.db2.gz SMYSIDUJWDVUFH-NRSFXHEJSA-N 2 2 361.490 0.357 20 0 FCADLP O=C(CC[NH+]1CCCC1)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001271061404 1189547620 /nfs/dbraw/zinc/54/76/20/1189547620.db2.gz NFZMMLHDXKSCHE-IBGZPJMESA-N 2 2 359.474 0.963 20 0 FCADLP O=C(CC[NH+]1CCCC1)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001271062647 1189550509 /nfs/dbraw/zinc/55/05/09/1189550509.db2.gz ZUZASOIMQVQVNV-LJQANCHMSA-N 2 2 359.474 0.820 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593323 1189638838 /nfs/dbraw/zinc/63/88/38/1189638838.db2.gz BETWDYWYLBRFOT-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593323 1189638853 /nfs/dbraw/zinc/63/88/53/1189638853.db2.gz BETWDYWYLBRFOT-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593323 1189638866 /nfs/dbraw/zinc/63/88/66/1189638866.db2.gz BETWDYWYLBRFOT-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087593323 1189638875 /nfs/dbraw/zinc/63/88/75/1189638875.db2.gz BETWDYWYLBRFOT-ZNMIVQPWSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCn1cncn1 ZINC001087631310 1189680415 /nfs/dbraw/zinc/68/04/15/1189680415.db2.gz UTIXAXUKFJPLLN-BHYGNILZSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCn1cncn1 ZINC001087631310 1189680425 /nfs/dbraw/zinc/68/04/25/1189680425.db2.gz UTIXAXUKFJPLLN-BHYGNILZSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087797381 1189828201 /nfs/dbraw/zinc/82/82/01/1189828201.db2.gz LKEDTXLBIOLOOJ-LSDHHAIUSA-N 2 2 361.446 0.081 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087797381 1189828202 /nfs/dbraw/zinc/82/82/02/1189828202.db2.gz LKEDTXLBIOLOOJ-LSDHHAIUSA-N 2 2 361.446 0.081 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000984409944 1189838278 /nfs/dbraw/zinc/83/82/78/1189838278.db2.gz WLICMONADMLERA-BFYDXBDKSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000984409944 1189838280 /nfs/dbraw/zinc/83/82/80/1189838280.db2.gz WLICMONADMLERA-BFYDXBDKSA-N 2 2 361.490 0.752 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920726 1189906573 /nfs/dbraw/zinc/90/65/73/1189906573.db2.gz YPCUIOCMXOOTAR-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920726 1189906583 /nfs/dbraw/zinc/90/65/83/1189906583.db2.gz YPCUIOCMXOOTAR-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920726 1189906591 /nfs/dbraw/zinc/90/65/91/1189906591.db2.gz YPCUIOCMXOOTAR-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)ncn1 ZINC001087920726 1189906602 /nfs/dbraw/zinc/90/66/02/1189906602.db2.gz YPCUIOCMXOOTAR-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087950293 1189980710 /nfs/dbraw/zinc/98/07/10/1189980710.db2.gz LDMBUMSQWFKUNQ-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001087950293 1189980714 /nfs/dbraw/zinc/98/07/14/1189980714.db2.gz LDMBUMSQWFKUNQ-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950103 1189980812 /nfs/dbraw/zinc/98/08/12/1189980812.db2.gz AUJFSTDFTPMIJZ-CABCVRRESA-N 2 2 357.462 0.934 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001087950103 1189980820 /nfs/dbraw/zinc/98/08/20/1189980820.db2.gz AUJFSTDFTPMIJZ-CABCVRRESA-N 2 2 357.462 0.934 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984697430 1190074300 /nfs/dbraw/zinc/07/43/00/1190074300.db2.gz URHOIJIEFRNNKX-ARFHVFGLSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984697430 1190074305 /nfs/dbraw/zinc/07/43/05/1190074305.db2.gz URHOIJIEFRNNKX-ARFHVFGLSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896567230 1190094891 /nfs/dbraw/zinc/09/48/91/1190094891.db2.gz FJNMGTUUTKQUJQ-FXAWDEMLSA-N 2 2 373.545 0.798 20 0 FCADLP C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896567230 1190094894 /nfs/dbraw/zinc/09/48/94/1190094894.db2.gz FJNMGTUUTKQUJQ-FXAWDEMLSA-N 2 2 373.545 0.798 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985775 1190107038 /nfs/dbraw/zinc/10/70/38/1190107038.db2.gz DAPUBAQLUSCPFB-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985775 1190107040 /nfs/dbraw/zinc/10/70/40/1190107040.db2.gz DAPUBAQLUSCPFB-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985775 1190107044 /nfs/dbraw/zinc/10/70/44/1190107044.db2.gz DAPUBAQLUSCPFB-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087985775 1190107048 /nfs/dbraw/zinc/10/70/48/1190107048.db2.gz DAPUBAQLUSCPFB-OWCLPIDISA-N 2 2 361.494 0.365 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088009614 1190204939 /nfs/dbraw/zinc/20/49/39/1190204939.db2.gz NJFMXZIIZJMCJJ-XHSDSOJGSA-N 2 2 361.490 0.841 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]2C1 ZINC001088009614 1190204942 /nfs/dbraw/zinc/20/49/42/1190204942.db2.gz NJFMXZIIZJMCJJ-XHSDSOJGSA-N 2 2 361.490 0.841 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011740 1190211626 /nfs/dbraw/zinc/21/16/26/1190211626.db2.gz BFXRMOKAGMKPKN-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011740 1190211629 /nfs/dbraw/zinc/21/16/29/1190211629.db2.gz BFXRMOKAGMKPKN-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011740 1190211631 /nfs/dbraw/zinc/21/16/31/1190211631.db2.gz BFXRMOKAGMKPKN-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)o1 ZINC001088011740 1190211635 /nfs/dbraw/zinc/21/16/35/1190211635.db2.gz BFXRMOKAGMKPKN-DMRZNYOFSA-N 2 2 363.462 0.377 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1)N1CCC1 ZINC001088018608 1190231209 /nfs/dbraw/zinc/23/12/09/1190231209.db2.gz DTJKUIOJLVMYRL-BBWFWOEESA-N 2 2 371.485 0.458 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1)N1CCC1 ZINC001088018608 1190231213 /nfs/dbraw/zinc/23/12/13/1190231213.db2.gz DTJKUIOJLVMYRL-BBWFWOEESA-N 2 2 371.485 0.458 20 0 FCADLP CN(C)C(=O)N1C[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001271175567 1190239381 /nfs/dbraw/zinc/23/93/81/1190239381.db2.gz WBZOKTKXAWGMBX-HUUCEWRRSA-N 2 2 362.478 0.328 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@H+](CCF)CC[C@@H]2C1 ZINC001088049545 1190308981 /nfs/dbraw/zinc/30/89/81/1190308981.db2.gz MRVPOJSRFOXMIZ-XDNAFOTISA-N 2 2 369.481 0.616 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1C[C@@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC001088049545 1190308983 /nfs/dbraw/zinc/30/89/83/1190308983.db2.gz MRVPOJSRFOXMIZ-XDNAFOTISA-N 2 2 369.481 0.616 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088050515 1190310224 /nfs/dbraw/zinc/31/02/24/1190310224.db2.gz KEZZQRRLLFMANF-CVEARBPZSA-N 2 2 357.462 0.425 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088050515 1190310230 /nfs/dbraw/zinc/31/02/30/1190310230.db2.gz KEZZQRRLLFMANF-CVEARBPZSA-N 2 2 357.462 0.425 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107053 1190594068 /nfs/dbraw/zinc/59/40/68/1190594068.db2.gz DLUOBHZMHACCCT-XHSDSOJGSA-N 2 2 359.474 0.280 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@@H]2C1 ZINC001088107053 1190594077 /nfs/dbraw/zinc/59/40/77/1190594077.db2.gz DLUOBHZMHACCCT-XHSDSOJGSA-N 2 2 359.474 0.280 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106635 1190594298 /nfs/dbraw/zinc/59/42/98/1190594298.db2.gz KFSNEIOEZVBYGO-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106635 1190594304 /nfs/dbraw/zinc/59/43/04/1190594304.db2.gz KFSNEIOEZVBYGO-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106635 1190594315 /nfs/dbraw/zinc/59/43/15/1190594315.db2.gz KFSNEIOEZVBYGO-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106635 1190594324 /nfs/dbraw/zinc/59/43/24/1190594324.db2.gz KFSNEIOEZVBYGO-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)nn1 ZINC001088121089 1190614880 /nfs/dbraw/zinc/61/48/80/1190614880.db2.gz NYKCHBLDRGDBFP-KGLIPLIRSA-N 2 2 356.430 0.731 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)nn1 ZINC001088121089 1190614887 /nfs/dbraw/zinc/61/48/87/1190614887.db2.gz NYKCHBLDRGDBFP-KGLIPLIRSA-N 2 2 356.430 0.731 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124280 1190618005 /nfs/dbraw/zinc/61/80/05/1190618005.db2.gz FPALBMPROVOLGA-BBWFWOEESA-N 2 2 357.462 0.906 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124280 1190618012 /nfs/dbraw/zinc/61/80/12/1190618012.db2.gz FPALBMPROVOLGA-BBWFWOEESA-N 2 2 357.462 0.906 20 0 FCADLP Cc1nonc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140282 1190659132 /nfs/dbraw/zinc/65/91/32/1190659132.db2.gz DARBHVPZPLSOLA-CVEARBPZSA-N 2 2 363.462 0.381 20 0 FCADLP Cc1nonc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140282 1190659134 /nfs/dbraw/zinc/65/91/34/1190659134.db2.gz DARBHVPZPLSOLA-CVEARBPZSA-N 2 2 363.462 0.381 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC1 ZINC001088150735 1190675330 /nfs/dbraw/zinc/67/53/30/1190675330.db2.gz SVISALDYHSHMNA-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC1 ZINC001088150735 1190675337 /nfs/dbraw/zinc/67/53/37/1190675337.db2.gz SVISALDYHSHMNA-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075866482 1190717057 /nfs/dbraw/zinc/71/70/57/1190717057.db2.gz FRZQQPSXZQUPRQ-CWRNSKLLSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075866482 1190717061 /nfs/dbraw/zinc/71/70/61/1190717061.db2.gz FRZQQPSXZQUPRQ-CWRNSKLLSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075866482 1190717068 /nfs/dbraw/zinc/71/70/68/1190717068.db2.gz FRZQQPSXZQUPRQ-CWRNSKLLSA-N 2 2 355.446 0.654 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001075866482 1190717071 /nfs/dbraw/zinc/71/70/71/1190717071.db2.gz FRZQQPSXZQUPRQ-CWRNSKLLSA-N 2 2 355.446 0.654 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)CC[N@@H+]1C ZINC001088317196 1190725717 /nfs/dbraw/zinc/72/57/17/1190725717.db2.gz VITCZGBSOSAJAS-OWCLPIDISA-N 2 2 363.510 0.801 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]Cc3nnn(C)n3)C2)CC[N@H+]1C ZINC001088317196 1190725718 /nfs/dbraw/zinc/72/57/18/1190725718.db2.gz VITCZGBSOSAJAS-OWCLPIDISA-N 2 2 363.510 0.801 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001088334291 1190749949 /nfs/dbraw/zinc/74/99/49/1190749949.db2.gz FEYVNLKIDUUIBO-FVQBIDKESA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001088334291 1190749952 /nfs/dbraw/zinc/74/99/52/1190749952.db2.gz FEYVNLKIDUUIBO-FVQBIDKESA-N 2 2 365.478 0.958 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985666741 1190760070 /nfs/dbraw/zinc/76/00/70/1190760070.db2.gz KHTXWCQTLYNIMH-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985666741 1190760074 /nfs/dbraw/zinc/76/00/74/1190760074.db2.gz KHTXWCQTLYNIMH-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@H]1C[C@@H]([N@@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCO1 ZINC001168118131 1190835706 /nfs/dbraw/zinc/83/57/06/1190835706.db2.gz ONRSWLYLCGLOHM-GJZGRUSLSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@H]1C[C@@H]([N@H+]2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CCO1 ZINC001168118131 1190835708 /nfs/dbraw/zinc/83/57/08/1190835708.db2.gz ONRSWLYLCGLOHM-GJZGRUSLSA-N 2 2 361.490 0.733 20 0 FCADLP C[C@@H]1C[C@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168128999 1190868946 /nfs/dbraw/zinc/86/89/46/1190868946.db2.gz WDHYLGIEKDLFBG-GDBMZVCRSA-N 2 2 372.473 0.972 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168128999 1190868948 /nfs/dbraw/zinc/86/89/48/1190868948.db2.gz WDHYLGIEKDLFBG-GDBMZVCRSA-N 2 2 372.473 0.972 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757055 1224114025 /nfs/dbraw/zinc/11/40/25/1224114025.db2.gz NLGXTFZAXLAZOG-AUUYWEPGSA-N 2 2 365.474 0.873 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276757055 1224114026 /nfs/dbraw/zinc/11/40/26/1224114026.db2.gz NLGXTFZAXLAZOG-AUUYWEPGSA-N 2 2 365.474 0.873 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC000986132141 1190902465 /nfs/dbraw/zinc/90/24/65/1190902465.db2.gz HDBHJDSRQDYQMP-PMPSAXMXSA-N 2 2 359.474 0.221 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC000986132141 1190902467 /nfs/dbraw/zinc/90/24/67/1190902467.db2.gz HDBHJDSRQDYQMP-PMPSAXMXSA-N 2 2 359.474 0.221 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC000986155924 1190908524 /nfs/dbraw/zinc/90/85/24/1190908524.db2.gz AGZDZCJKMOXADO-IKGGRYGDSA-N 2 2 371.485 0.601 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@@H+]1C ZINC000986190930 1190917366 /nfs/dbraw/zinc/91/73/66/1190917366.db2.gz AHZYMZXWBXJIJN-LTIDMASMSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC[N@H+]1C ZINC000986190930 1190917370 /nfs/dbraw/zinc/91/73/70/1190917370.db2.gz AHZYMZXWBXJIJN-LTIDMASMSA-N 2 2 373.501 0.989 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000986334305 1190958622 /nfs/dbraw/zinc/95/86/22/1190958622.db2.gz VJZZSGULYLAUOD-SJORKVTESA-N 2 2 371.485 0.818 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)CC[C@@H]3C2)C1 ZINC000986421850 1190985395 /nfs/dbraw/zinc/98/53/95/1190985395.db2.gz MXSRHLHHFSZZHQ-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)CC[C@@H]3C2)C1 ZINC000986421850 1190985397 /nfs/dbraw/zinc/98/53/97/1190985397.db2.gz MXSRHLHHFSZZHQ-BBWFWOEESA-N 2 2 359.474 0.532 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000986421350 1190985475 /nfs/dbraw/zinc/98/54/75/1190985475.db2.gz HSADJJUUBGDFKO-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986421350 1190985479 /nfs/dbraw/zinc/98/54/79/1190985479.db2.gz HSADJJUUBGDFKO-VYDXJSESSA-N 2 2 359.474 0.364 20 0 FCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)CCC1 ZINC000986577920 1191045012 /nfs/dbraw/zinc/04/50/12/1191045012.db2.gz SXOZAVGNAQZTQH-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnnn3C)CC2)O1 ZINC001029972518 1191056031 /nfs/dbraw/zinc/05/60/31/1191056031.db2.gz JWKNIZVSZYFPRD-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnnn3C)CC2)O1 ZINC001029972518 1191056033 /nfs/dbraw/zinc/05/60/33/1191056033.db2.gz JWKNIZVSZYFPRD-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cnnn3C)CC2)O1 ZINC001029972518 1191056037 /nfs/dbraw/zinc/05/60/37/1191056037.db2.gz JWKNIZVSZYFPRD-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3cnnn3C)CC2)O1 ZINC001029972518 1191056041 /nfs/dbraw/zinc/05/60/41/1191056041.db2.gz JWKNIZVSZYFPRD-RHSMWYFYSA-N 2 2 364.494 0.205 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)N1CCC1 ZINC001075882314 1191058848 /nfs/dbraw/zinc/05/88/48/1191058848.db2.gz GHDACIFUPSQOPS-ARFHVFGLSA-N 2 2 357.458 0.526 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)N1CCC1 ZINC001075882314 1191058851 /nfs/dbraw/zinc/05/88/51/1191058851.db2.gz GHDACIFUPSQOPS-ARFHVFGLSA-N 2 2 357.458 0.526 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988107592 1191150052 /nfs/dbraw/zinc/15/00/52/1191150052.db2.gz IHLVSIDLJCAODJ-LUYZLQTOSA-N 2 2 363.462 0.016 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H]1C ZINC000988107592 1191150054 /nfs/dbraw/zinc/15/00/54/1191150054.db2.gz IHLVSIDLJCAODJ-LUYZLQTOSA-N 2 2 363.462 0.016 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217933174 1224132542 /nfs/dbraw/zinc/13/25/42/1224132542.db2.gz SWUYQZIXMCBDSI-WCXIOVBPSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217933174 1224132544 /nfs/dbraw/zinc/13/25/44/1224132544.db2.gz SWUYQZIXMCBDSI-WCXIOVBPSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933174 1224132547 /nfs/dbraw/zinc/13/25/47/1224132547.db2.gz SWUYQZIXMCBDSI-WCXIOVBPSA-N 2 2 366.506 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933174 1224132549 /nfs/dbraw/zinc/13/25/49/1224132549.db2.gz SWUYQZIXMCBDSI-WCXIOVBPSA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C)C1 ZINC000988364804 1191194733 /nfs/dbraw/zinc/19/47/33/1191194733.db2.gz QDRFVPIKHVIOTJ-OWCLPIDISA-N 2 2 363.462 0.018 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C)C1 ZINC000988364804 1191194735 /nfs/dbraw/zinc/19/47/35/1191194735.db2.gz QDRFVPIKHVIOTJ-OWCLPIDISA-N 2 2 363.462 0.018 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCN4CCNC4=O)[C@@H]3C)ccn12 ZINC001088567498 1191202809 /nfs/dbraw/zinc/20/28/09/1191202809.db2.gz RMXZAGAWNXCHQP-ZBFHGGJFSA-N 2 2 370.457 0.861 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@@H]3C)ccn12 ZINC001088567498 1191202811 /nfs/dbraw/zinc/20/28/11/1191202811.db2.gz RMXZAGAWNXCHQP-ZBFHGGJFSA-N 2 2 370.457 0.861 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571934 1191207816 /nfs/dbraw/zinc/20/78/16/1191207816.db2.gz RYAPPRBPJVVGRH-XYPHTWIQSA-N 2 2 359.474 0.906 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571934 1191207819 /nfs/dbraw/zinc/20/78/19/1191207819.db2.gz RYAPPRBPJVVGRH-XYPHTWIQSA-N 2 2 359.474 0.906 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181098 1224145836 /nfs/dbraw/zinc/14/58/36/1224145836.db2.gz SDRFPBDORWJHMI-BPQIPLTHSA-N 2 2 362.474 0.782 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC001218181098 1224145837 /nfs/dbraw/zinc/14/58/37/1224145837.db2.gz SDRFPBDORWJHMI-BPQIPLTHSA-N 2 2 362.474 0.782 20 0 FCADLP COCCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197051 1224146791 /nfs/dbraw/zinc/14/67/91/1224146791.db2.gz ZACCDYSHUVETNX-BPQIPLTHSA-N 2 2 362.474 0.784 20 0 FCADLP COCCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC001218197051 1224146793 /nfs/dbraw/zinc/14/67/93/1224146793.db2.gz ZACCDYSHUVETNX-BPQIPLTHSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC001218195173 1224146903 /nfs/dbraw/zinc/14/69/03/1224146903.db2.gz FYMLRDDPAFWXRC-YESZJQIVSA-N 2 2 362.474 0.784 20 0 FCADLP CCOCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC001218195173 1224146906 /nfs/dbraw/zinc/14/69/06/1224146906.db2.gz FYMLRDDPAFWXRC-YESZJQIVSA-N 2 2 362.474 0.784 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000990003115 1193779663 /nfs/dbraw/zinc/77/96/63/1193779663.db2.gz YUEJBEJUGXGFDM-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000990003115 1193779666 /nfs/dbraw/zinc/77/96/66/1193779666.db2.gz YUEJBEJUGXGFDM-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000990003115 1193779669 /nfs/dbraw/zinc/77/96/69/1193779669.db2.gz YUEJBEJUGXGFDM-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000990003115 1193779671 /nfs/dbraw/zinc/77/96/71/1193779671.db2.gz YUEJBEJUGXGFDM-PMPSAXMXSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1[NH+](C)C ZINC000550871901 1193816508 /nfs/dbraw/zinc/81/65/08/1193816508.db2.gz VZCPAHVVXARKFV-YJBOKZPZSA-N 2 2 369.469 0.956 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466045 1193817243 /nfs/dbraw/zinc/81/72/43/1193817243.db2.gz DNAMYSAAKKSGSP-ZACQAIPSSA-N 2 2 362.474 0.549 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466045 1193817244 /nfs/dbraw/zinc/81/72/44/1193817244.db2.gz DNAMYSAAKKSGSP-ZACQAIPSSA-N 2 2 362.474 0.549 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001075948819 1193825436 /nfs/dbraw/zinc/82/54/36/1193825436.db2.gz JUAKHSVVQXFPDU-AFAVFJNCSA-N 2 2 353.426 0.988 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001075948819 1193825438 /nfs/dbraw/zinc/82/54/38/1193825438.db2.gz JUAKHSVVQXFPDU-AFAVFJNCSA-N 2 2 353.426 0.988 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)ncn1 ZINC001218550874 1224171533 /nfs/dbraw/zinc/17/15/33/1224171533.db2.gz RASAWJOTTLWNHY-DLBZAZTESA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4(C[NH+](C)C)CC4)[C@H]3C2)ncn1 ZINC001218550874 1224171534 /nfs/dbraw/zinc/17/15/34/1224171534.db2.gz RASAWJOTTLWNHY-DLBZAZTESA-N 2 2 359.474 0.538 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105636620 1193843467 /nfs/dbraw/zinc/84/34/67/1193843467.db2.gz AGVGWRBFIYOHGL-RWQQGDIJSA-N 2 2 364.490 0.955 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105636620 1193843468 /nfs/dbraw/zinc/84/34/68/1193843468.db2.gz AGVGWRBFIYOHGL-RWQQGDIJSA-N 2 2 364.490 0.955 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557974 1224172760 /nfs/dbraw/zinc/17/27/60/1224172760.db2.gz OIOOMYKEXNCCDV-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557974 1224172764 /nfs/dbraw/zinc/17/27/64/1224172764.db2.gz OIOOMYKEXNCCDV-IXDOHACOSA-N 2 2 368.522 0.401 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218557507 1224172834 /nfs/dbraw/zinc/17/28/34/1224172834.db2.gz APUZDIXWLJRSQG-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1)C1CC1 ZINC001218557507 1224172836 /nfs/dbraw/zinc/17/28/36/1224172836.db2.gz APUZDIXWLJRSQG-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557959 1224173286 /nfs/dbraw/zinc/17/32/86/1224173286.db2.gz NVHKSJLOULTMEO-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557959 1224173290 /nfs/dbraw/zinc/17/32/90/1224173290.db2.gz NVHKSJLOULTMEO-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP COCCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105661691 1193877519 /nfs/dbraw/zinc/87/75/19/1193877519.db2.gz KWZBCXUJKUEIPP-RGCFKVTRSA-N 2 2 364.490 0.955 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)N1CCC1 ZINC001075961725 1193883653 /nfs/dbraw/zinc/88/36/53/1193883653.db2.gz WILMEMBYHDPCFL-YQQAZPJKSA-N 2 2 357.458 0.211 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)N1CCC1 ZINC001075961725 1193883655 /nfs/dbraw/zinc/88/36/55/1193883655.db2.gz WILMEMBYHDPCFL-YQQAZPJKSA-N 2 2 357.458 0.211 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cn2)CC1 ZINC001218580603 1224176920 /nfs/dbraw/zinc/17/69/20/1224176920.db2.gz UFFVFTVOLPFKML-QGZVFWFLSA-N 2 2 352.442 0.881 20 0 FCADLP CCOC(=O)c1cnn(-c2cc(NC(=O)C[NH2+]C3CC[NH2+]CC3)ccn2)c1 ZINC001218620490 1224183290 /nfs/dbraw/zinc/18/32/90/1224183290.db2.gz LLSLMKUBBDFYNC-UHFFFAOYSA-N 2 2 372.429 0.724 20 0 FCADLP CCOC(=O)c1cnn(-c2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)ccn2)c1 ZINC001218621295 1224183525 /nfs/dbraw/zinc/18/35/25/1224183525.db2.gz OTEMQQMKUAPDBN-AWEZNQCLSA-N 2 2 369.385 0.676 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nonc1-c1nc2ccccc2[nH]1 ZINC001218625690 1224186102 /nfs/dbraw/zinc/18/61/02/1224186102.db2.gz GVZDJJUOPPOGDN-JTQLQIEISA-N 2 2 352.358 0.855 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814984 1194093443 /nfs/dbraw/zinc/09/34/43/1194093443.db2.gz RUNTVESAWNTCGM-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814984 1194093447 /nfs/dbraw/zinc/09/34/47/1194093447.db2.gz RUNTVESAWNTCGM-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814984 1194093451 /nfs/dbraw/zinc/09/34/51/1194093451.db2.gz RUNTVESAWNTCGM-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)C1 ZINC001088814984 1194093455 /nfs/dbraw/zinc/09/34/55/1194093455.db2.gz RUNTVESAWNTCGM-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@@H+]1C ZINC000990765739 1194117083 /nfs/dbraw/zinc/11/70/83/1194117083.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2nc(=O)n(C)[nH]2)CC3)CC[N@H+]1C ZINC000990765739 1194117088 /nfs/dbraw/zinc/11/70/88/1194117088.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765739 1194117098 /nfs/dbraw/zinc/11/70/98/1194117098.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2nc(=O)n(C)[nH]2)CC3)CC[NH+]1C ZINC000990765739 1194117102 /nfs/dbraw/zinc/11/71/02/1194117102.db2.gz SXZBKNHTBQHVDE-UHQDVWGKSA-N 2 2 362.478 0.062 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029371 1194254003 /nfs/dbraw/zinc/25/40/03/1194254003.db2.gz JWMMZSPALKIBKZ-GRDNDAEWSA-N 2 2 368.441 0.548 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029371 1194254007 /nfs/dbraw/zinc/25/40/07/1194254007.db2.gz JWMMZSPALKIBKZ-GRDNDAEWSA-N 2 2 368.441 0.548 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029038 1194254965 /nfs/dbraw/zinc/25/49/65/1194254965.db2.gz DSNDCCBCFOGXTF-DVOMOZLQSA-N 2 2 354.414 0.287 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174284 1194337989 /nfs/dbraw/zinc/33/79/89/1194337989.db2.gz GHRMLPGLRJEGMF-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174284 1194337992 /nfs/dbraw/zinc/33/79/92/1194337992.db2.gz GHRMLPGLRJEGMF-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174284 1194337995 /nfs/dbraw/zinc/33/79/95/1194337995.db2.gz GHRMLPGLRJEGMF-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174284 1194337996 /nfs/dbraw/zinc/33/79/96/1194337996.db2.gz GHRMLPGLRJEGMF-CGTJXYLNSA-N 2 2 361.490 0.562 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]31)CC2 ZINC001076186719 1194345354 /nfs/dbraw/zinc/34/53/54/1194345354.db2.gz JQCFPYDCERQRFU-HDMKZQKVSA-N 2 2 369.473 0.615 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]31)CC2 ZINC001076186719 1194345357 /nfs/dbraw/zinc/34/53/57/1194345357.db2.gz JQCFPYDCERQRFU-HDMKZQKVSA-N 2 2 369.473 0.615 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]31)C2 ZINC001076245898 1194364832 /nfs/dbraw/zinc/36/48/32/1194364832.db2.gz VQMNHRQMJBALGQ-RVKKMQEKSA-N 2 2 371.485 0.565 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]31)C2 ZINC001076245898 1194364834 /nfs/dbraw/zinc/36/48/34/1194364834.db2.gz VQMNHRQMJBALGQ-RVKKMQEKSA-N 2 2 371.485 0.565 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001076245965 1194364921 /nfs/dbraw/zinc/36/49/21/1194364921.db2.gz YMVFTPDUFXWYOT-HLLBOEOZSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001076245965 1194364923 /nfs/dbraw/zinc/36/49/23/1194364923.db2.gz YMVFTPDUFXWYOT-HLLBOEOZSA-N 2 2 359.474 0.375 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001076260673 1194377842 /nfs/dbraw/zinc/37/78/42/1194377842.db2.gz YMTFKFLXJNSYTI-BVIKNXMNSA-N 2 2 354.458 0.990 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)[C@@H]3C2)cn1 ZINC001076260673 1194377846 /nfs/dbraw/zinc/37/78/46/1194377846.db2.gz YMTFKFLXJNSYTI-BVIKNXMNSA-N 2 2 354.458 0.990 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900747530 1194383085 /nfs/dbraw/zinc/38/30/85/1194383085.db2.gz RJPUMELILNWNPZ-GPMSIDNRSA-N 2 2 361.490 0.163 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900747530 1194383090 /nfs/dbraw/zinc/38/30/90/1194383090.db2.gz RJPUMELILNWNPZ-GPMSIDNRSA-N 2 2 361.490 0.163 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076303278 1194386963 /nfs/dbraw/zinc/38/69/63/1194386963.db2.gz PFROFUGUIULBOJ-HRCADAONSA-N 2 2 360.462 0.392 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001076303278 1194386968 /nfs/dbraw/zinc/38/69/68/1194386968.db2.gz PFROFUGUIULBOJ-HRCADAONSA-N 2 2 360.462 0.392 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295502 1194387487 /nfs/dbraw/zinc/38/74/87/1194387487.db2.gz NTFQHVCYVLDBHG-GRDNDAEWSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295502 1194387493 /nfs/dbraw/zinc/38/74/93/1194387493.db2.gz NTFQHVCYVLDBHG-GRDNDAEWSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407646 1194453212 /nfs/dbraw/zinc/45/32/12/1194453212.db2.gz ORVLSNLOECZHMA-DOTOQJQBSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407646 1194453221 /nfs/dbraw/zinc/45/32/21/1194453221.db2.gz ORVLSNLOECZHMA-DOTOQJQBSA-N 2 2 361.490 0.564 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218787310 1224218166 /nfs/dbraw/zinc/21/81/66/1224218166.db2.gz BVCCMHGQOCYSPE-GJZGRUSLSA-N 3 2 358.446 0.720 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467813 1194503334 /nfs/dbraw/zinc/50/33/34/1194503334.db2.gz UITRPWCVGKLEKC-DOTOQJQBSA-N 2 2 358.490 0.735 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)n1 ZINC001076467813 1194503341 /nfs/dbraw/zinc/50/33/41/1194503341.db2.gz UITRPWCVGKLEKC-DOTOQJQBSA-N 2 2 358.490 0.735 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076462302 1194507665 /nfs/dbraw/zinc/50/76/65/1194507665.db2.gz PCAACPORELVJHJ-SQWLQELKSA-N 2 2 355.446 0.274 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076462302 1194507677 /nfs/dbraw/zinc/50/76/77/1194507677.db2.gz PCAACPORELVJHJ-SQWLQELKSA-N 2 2 355.446 0.274 20 0 FCADLP CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218797554 1224224281 /nfs/dbraw/zinc/22/42/81/1224224281.db2.gz FVXBVLQZCPEHPI-SGTLLEGYSA-N 2 2 356.430 0.728 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ncccn1 ZINC001276796027 1224228840 /nfs/dbraw/zinc/22/88/40/1224228840.db2.gz UGWWWCIWAIJYQK-BZUAXINKSA-N 2 2 361.490 0.791 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ncccn1 ZINC001276796027 1224228850 /nfs/dbraw/zinc/22/88/50/1224228850.db2.gz UGWWWCIWAIJYQK-BZUAXINKSA-N 2 2 361.490 0.791 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795691 1224226231 /nfs/dbraw/zinc/22/62/31/1224226231.db2.gz OYBZZFCWJTZAIQ-RBSFLKMASA-N 2 2 368.522 0.325 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795691 1224226238 /nfs/dbraw/zinc/22/62/38/1224226238.db2.gz OYBZZFCWJTZAIQ-RBSFLKMASA-N 2 2 368.522 0.325 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001076812697 1195033703 /nfs/dbraw/zinc/03/37/03/1195033703.db2.gz QSBVPDKSPQZXFP-CEXWTWQISA-N 2 2 354.454 0.990 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811347 1195033865 /nfs/dbraw/zinc/03/38/65/1195033865.db2.gz LAKUDRQURVHXEK-KZNAEPCWSA-N 2 2 354.454 0.990 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811347 1195033869 /nfs/dbraw/zinc/03/38/69/1195033869.db2.gz LAKUDRQURVHXEK-KZNAEPCWSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811347 1195033874 /nfs/dbraw/zinc/03/38/74/1195033874.db2.gz LAKUDRQURVHXEK-KZNAEPCWSA-N 2 2 354.454 0.990 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1O ZINC001076811347 1195033880 /nfs/dbraw/zinc/03/38/80/1195033880.db2.gz LAKUDRQURVHXEK-KZNAEPCWSA-N 2 2 354.454 0.990 20 0 FCADLP CCCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076836963 1195043550 /nfs/dbraw/zinc/04/35/50/1195043550.db2.gz IKOVYSUVAVJOAU-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001076836963 1195043554 /nfs/dbraw/zinc/04/35/54/1195043554.db2.gz IKOVYSUVAVJOAU-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001076836963 1195043560 /nfs/dbraw/zinc/04/35/60/1195043560.db2.gz IKOVYSUVAVJOAU-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001076836963 1195043567 /nfs/dbraw/zinc/04/35/67/1195043567.db2.gz IKOVYSUVAVJOAU-QRVBRYPASA-N 2 2 361.486 0.631 20 0 FCADLP CCc1ccccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837134 1195044524 /nfs/dbraw/zinc/04/45/24/1195044524.db2.gz PRRKXVLUUDIQEP-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837134 1195044528 /nfs/dbraw/zinc/04/45/28/1195044528.db2.gz PRRKXVLUUDIQEP-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076837134 1195044533 /nfs/dbraw/zinc/04/45/33/1195044533.db2.gz PRRKXVLUUDIQEP-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP CCc1ccccc1CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076837134 1195044537 /nfs/dbraw/zinc/04/45/37/1195044537.db2.gz PRRKXVLUUDIQEP-GUDVDZBRSA-N 2 2 361.486 0.283 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]3O)ccn12 ZINC001076996878 1195135916 /nfs/dbraw/zinc/13/59/16/1195135916.db2.gz RVOLNRJBHPAQJD-BRWVUGGUSA-N 2 2 358.442 0.987 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]3O)ccn12 ZINC001076996878 1195135924 /nfs/dbraw/zinc/13/59/24/1195135924.db2.gz RVOLNRJBHPAQJD-BRWVUGGUSA-N 2 2 358.442 0.987 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131966 1195248870 /nfs/dbraw/zinc/24/88/70/1195248870.db2.gz NSECRCSUPVHSBI-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131966 1195248873 /nfs/dbraw/zinc/24/88/73/1195248873.db2.gz NSECRCSUPVHSBI-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131966 1195248876 /nfs/dbraw/zinc/24/88/76/1195248876.db2.gz NSECRCSUPVHSBI-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001077131966 1195248879 /nfs/dbraw/zinc/24/88/79/1195248879.db2.gz NSECRCSUPVHSBI-BRWVUGGUSA-N 2 2 366.506 0.033 20 0 FCADLP CC[C@]1(c2ccc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc2)CCC(=O)NC1=O ZINC001218947691 1224270354 /nfs/dbraw/zinc/27/03/54/1224270354.db2.gz GFPITSVNRUTNLG-GOSISDBHSA-N 2 2 358.442 0.790 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566309 1195298468 /nfs/dbraw/zinc/29/84/68/1195298468.db2.gz CYKDLNJFPRZUHK-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566309 1195298474 /nfs/dbraw/zinc/29/84/74/1195298474.db2.gz CYKDLNJFPRZUHK-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566309 1195298482 /nfs/dbraw/zinc/29/84/82/1195298482.db2.gz CYKDLNJFPRZUHK-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)cc1 ZINC001083566309 1195298489 /nfs/dbraw/zinc/29/84/89/1195298489.db2.gz CYKDLNJFPRZUHK-NKGKWGDASA-N 2 2 363.458 0.076 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001077219439 1195328137 /nfs/dbraw/zinc/32/81/37/1195328137.db2.gz RCURNWICYJFANZ-HZPDHXFCSA-N 2 2 362.474 0.829 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001077219439 1195328143 /nfs/dbraw/zinc/32/81/43/1195328143.db2.gz RCURNWICYJFANZ-HZPDHXFCSA-N 2 2 362.474 0.829 20 0 FCADLP CCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220468 1195329559 /nfs/dbraw/zinc/32/95/59/1195329559.db2.gz MIAQJRKMPKOROU-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220468 1195329563 /nfs/dbraw/zinc/32/95/63/1195329563.db2.gz MIAQJRKMPKOROU-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220468 1195329567 /nfs/dbraw/zinc/32/95/67/1195329567.db2.gz MIAQJRKMPKOROU-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP CCc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001077220468 1195329573 /nfs/dbraw/zinc/32/95/73/1195329573.db2.gz MIAQJRKMPKOROU-UTRMSSBJSA-N 2 2 361.486 0.629 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)O1 ZINC001077220044 1195329996 /nfs/dbraw/zinc/32/99/96/1195329996.db2.gz CFEJDZCCEJMVIG-BNEJOLLZSA-N 2 2 365.449 0.537 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@H]2O)O1 ZINC001077220044 1195329998 /nfs/dbraw/zinc/32/99/98/1195329998.db2.gz CFEJDZCCEJMVIG-BNEJOLLZSA-N 2 2 365.449 0.537 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]2O)O1 ZINC001077220044 1195330003 /nfs/dbraw/zinc/33/00/03/1195330003.db2.gz CFEJDZCCEJMVIG-BNEJOLLZSA-N 2 2 365.449 0.537 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]2O)O1 ZINC001077220044 1195330012 /nfs/dbraw/zinc/33/00/12/1195330012.db2.gz CFEJDZCCEJMVIG-BNEJOLLZSA-N 2 2 365.449 0.537 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970125 1224275621 /nfs/dbraw/zinc/27/56/21/1224275621.db2.gz CXAINUSQZQCCIM-BHYGNILZSA-N 2 2 363.462 0.027 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970125 1224275627 /nfs/dbraw/zinc/27/56/27/1224275627.db2.gz CXAINUSQZQCCIM-BHYGNILZSA-N 2 2 363.462 0.027 20 0 FCADLP COC(=O)C1(c2ccc(NC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)cc2)CC1 ZINC001218976231 1224276140 /nfs/dbraw/zinc/27/61/40/1224276140.db2.gz WQPYQFYHAOBWNF-MRXNPFEDSA-N 2 2 360.458 0.580 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)no1 ZINC001077274906 1195375625 /nfs/dbraw/zinc/37/56/25/1195375625.db2.gz ISUVFPCQHOGYAP-IAOVAPTHSA-N 2 2 366.462 0.470 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)no1 ZINC001077274906 1195375629 /nfs/dbraw/zinc/37/56/29/1195375629.db2.gz ISUVFPCQHOGYAP-IAOVAPTHSA-N 2 2 366.462 0.470 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001077308648 1195410188 /nfs/dbraw/zinc/41/01/88/1195410188.db2.gz FGYMOEGGGXSOSA-QZTJIDSGSA-N 2 2 368.441 0.623 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC001077308648 1195410199 /nfs/dbraw/zinc/41/01/99/1195410199.db2.gz FGYMOEGGGXSOSA-QZTJIDSGSA-N 2 2 368.441 0.623 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077310980 1195414144 /nfs/dbraw/zinc/41/41/44/1195414144.db2.gz LINUNFNARQEYFM-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077310980 1195414156 /nfs/dbraw/zinc/41/41/56/1195414156.db2.gz LINUNFNARQEYFM-IAGOWNOFSA-N 2 2 355.398 0.914 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571567 1195414426 /nfs/dbraw/zinc/41/44/26/1195414426.db2.gz CDBUSFSLMGYEJX-IKGGRYGDSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571567 1195414433 /nfs/dbraw/zinc/41/44/33/1195414433.db2.gz CDBUSFSLMGYEJX-IKGGRYGDSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571567 1195414437 /nfs/dbraw/zinc/41/44/37/1195414437.db2.gz CDBUSFSLMGYEJX-IKGGRYGDSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083571567 1195414444 /nfs/dbraw/zinc/41/44/44/1195414444.db2.gz CDBUSFSLMGYEJX-IKGGRYGDSA-N 2 2 365.449 0.850 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083572598 1195419677 /nfs/dbraw/zinc/41/96/77/1195419677.db2.gz YNSUXAZKPFLRFH-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)cc1 ZINC001083572598 1195419684 /nfs/dbraw/zinc/41/96/84/1195419684.db2.gz YNSUXAZKPFLRFH-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)cc1 ZINC001083572598 1195419698 /nfs/dbraw/zinc/41/96/98/1195419698.db2.gz YNSUXAZKPFLRFH-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)cc1 ZINC001083572598 1195419708 /nfs/dbraw/zinc/41/97/08/1195419708.db2.gz YNSUXAZKPFLRFH-QYZOEREBSA-N 2 2 361.486 0.883 20 0 FCADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905034093 1195571178 /nfs/dbraw/zinc/57/11/78/1195571178.db2.gz IMTWYCOCSKRMML-UXHICEINSA-N 2 2 363.502 0.691 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)COc1ccccc1 ZINC000905447743 1195586161 /nfs/dbraw/zinc/58/61/61/1195586161.db2.gz ULBXSKNPPMWWQR-OALUTQOASA-N 2 2 363.502 0.813 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CCC1 ZINC001083590734 1195586642 /nfs/dbraw/zinc/58/66/42/1195586642.db2.gz SNHPFRWSMCBNPC-IKGGRYGDSA-N 2 2 366.462 0.326 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1)C1CCC1 ZINC001083590734 1195586644 /nfs/dbraw/zinc/58/66/44/1195586644.db2.gz SNHPFRWSMCBNPC-IKGGRYGDSA-N 2 2 366.462 0.326 20 0 FCADLP Cn1ccc([C@@H]2CCC[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)n1 ZINC000905718516 1195598996 /nfs/dbraw/zinc/59/89/96/1195598996.db2.gz OQRKVJIVJAPQJA-CQSZACIVSA-N 2 2 360.462 0.573 20 0 FCADLP Cn1ccc([C@@H]2CCC[N@@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)n1 ZINC000905718516 1195598997 /nfs/dbraw/zinc/59/89/97/1195598997.db2.gz OQRKVJIVJAPQJA-CQSZACIVSA-N 2 2 360.462 0.573 20 0 FCADLP CN1CC[N@H+](C)CC(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000906068983 1195612552 /nfs/dbraw/zinc/61/25/52/1195612552.db2.gz RKZAAPXIZPYXBC-UHFFFAOYSA-N 2 2 373.501 0.506 20 0 FCADLP CN1CC[N@@H+](C)CC(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000906068983 1195612554 /nfs/dbraw/zinc/61/25/54/1195612554.db2.gz RKZAAPXIZPYXBC-UHFFFAOYSA-N 2 2 373.501 0.506 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219016973 1224294362 /nfs/dbraw/zinc/29/43/62/1224294362.db2.gz REDYHVKZPFJBKW-QGZVFWFLSA-N 2 2 355.442 0.526 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906662165 1195643579 /nfs/dbraw/zinc/64/35/79/1195643579.db2.gz VJLGEUUELIFNAE-UHFFFAOYSA-N 3 2 361.490 0.568 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906662165 1195643584 /nfs/dbraw/zinc/64/35/84/1195643584.db2.gz VJLGEUUELIFNAE-UHFFFAOYSA-N 3 2 361.490 0.568 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785107 1195664680 /nfs/dbraw/zinc/66/46/80/1195664680.db2.gz DVBSIIVRXWGARN-XLIONFOSSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000906785107 1195664684 /nfs/dbraw/zinc/66/46/84/1195664684.db2.gz DVBSIIVRXWGARN-XLIONFOSSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000906785107 1195664686 /nfs/dbraw/zinc/66/46/86/1195664686.db2.gz DVBSIIVRXWGARN-XLIONFOSSA-N 2 2 374.529 0.886 20 0 FCADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000906785107 1195664688 /nfs/dbraw/zinc/66/46/88/1195664688.db2.gz DVBSIIVRXWGARN-XLIONFOSSA-N 2 2 374.529 0.886 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1=O ZINC001083607411 1195686113 /nfs/dbraw/zinc/68/61/13/1195686113.db2.gz WRIRBNBLJFJEGE-ZACQAIPSSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)C1=O ZINC001083607411 1195686119 /nfs/dbraw/zinc/68/61/19/1195686119.db2.gz WRIRBNBLJFJEGE-ZACQAIPSSA-N 2 2 371.441 0.119 20 0 FCADLP O=C(N[C@@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123738 1195729185 /nfs/dbraw/zinc/72/91/85/1195729185.db2.gz ZJZLQUUJFAFKJX-AHEZYBDSSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@@]12CCC[C@@H]1[N@@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000991123738 1195729192 /nfs/dbraw/zinc/72/91/92/1195729192.db2.gz ZJZLQUUJFAFKJX-AHEZYBDSSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@@]12CCC[C@@H]1[N@H+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000991123738 1195729197 /nfs/dbraw/zinc/72/91/97/1195729197.db2.gz ZJZLQUUJFAFKJX-AHEZYBDSSA-N 2 2 355.446 0.918 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644600 1195933727 /nfs/dbraw/zinc/93/37/27/1195933727.db2.gz NPCSYPJVYVCEEC-QLFBSQMISA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001083644600 1195933730 /nfs/dbraw/zinc/93/37/30/1195933730.db2.gz NPCSYPJVYVCEEC-QLFBSQMISA-N 2 2 366.368 0.533 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)cn1 ZINC001219049403 1224317589 /nfs/dbraw/zinc/31/75/89/1224317589.db2.gz MBONQYAODOGJMM-ZWKOTPCHSA-N 2 2 361.490 0.708 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+]4CCCC4)[C@H]3C2)cn1 ZINC001219049403 1224317598 /nfs/dbraw/zinc/31/75/98/1224317598.db2.gz MBONQYAODOGJMM-ZWKOTPCHSA-N 2 2 361.490 0.708 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357498 1196320986 /nfs/dbraw/zinc/32/09/86/1196320986.db2.gz FYEGTVUKYZTLNA-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357498 1196320989 /nfs/dbraw/zinc/32/09/89/1196320989.db2.gz FYEGTVUKYZTLNA-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357498 1196320994 /nfs/dbraw/zinc/32/09/94/1196320994.db2.gz FYEGTVUKYZTLNA-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357498 1196320996 /nfs/dbraw/zinc/32/09/96/1196320996.db2.gz FYEGTVUKYZTLNA-KLICCBINSA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363826 1196324669 /nfs/dbraw/zinc/32/46/69/1196324669.db2.gz ZDPRCPPUHNPJJZ-NYCLONFESA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363826 1196324672 /nfs/dbraw/zinc/32/46/72/1196324672.db2.gz ZDPRCPPUHNPJJZ-NYCLONFESA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cnnn2C)CC3)O1 ZINC000991363826 1196324677 /nfs/dbraw/zinc/32/46/77/1196324677.db2.gz ZDPRCPPUHNPJJZ-NYCLONFESA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cnnn2C)CC3)O1 ZINC000991363826 1196324679 /nfs/dbraw/zinc/32/46/79/1196324679.db2.gz ZDPRCPPUHNPJJZ-NYCLONFESA-N 2 2 362.478 0.147 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668566 1196390612 /nfs/dbraw/zinc/39/06/12/1196390612.db2.gz VPGNQTICDCTIMX-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668566 1196390620 /nfs/dbraw/zinc/39/06/20/1196390620.db2.gz VPGNQTICDCTIMX-CEXWTWQISA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ccncc1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668385 1196391556 /nfs/dbraw/zinc/39/15/56/1196391556.db2.gz OKXDUHIZGNCSMN-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ccncc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668385 1196391560 /nfs/dbraw/zinc/39/15/60/1196391560.db2.gz OKXDUHIZGNCSMN-QYZOEREBSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444467 1196419664 /nfs/dbraw/zinc/41/96/64/1196419664.db2.gz ZYXIYERHPCQULE-KZNAEPCWSA-N 2 2 362.474 0.827 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444467 1196419669 /nfs/dbraw/zinc/41/96/69/1196419669.db2.gz ZYXIYERHPCQULE-KZNAEPCWSA-N 2 2 362.474 0.827 20 0 FCADLP Cn1cc([C@H]2CN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467569 1196438515 /nfs/dbraw/zinc/43/85/15/1196438515.db2.gz IXZNWTDVRBOGBP-QUCCMNQESA-N 2 2 369.469 0.530 20 0 FCADLP Cn1cc([C@H]2CN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cn1 ZINC000913467569 1196438521 /nfs/dbraw/zinc/43/85/21/1196438521.db2.gz IXZNWTDVRBOGBP-QUCCMNQESA-N 2 2 369.469 0.530 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC001219088140 1224348629 /nfs/dbraw/zinc/34/86/29/1224348629.db2.gz MJBBXROOJIWGIQ-HNNXBMFYSA-N 2 2 370.457 0.630 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(N(C)C)[nH+]1 ZINC000157317338 1196516374 /nfs/dbraw/zinc/51/63/74/1196516374.db2.gz ZQWPTRKMOZMPHO-CQSZACIVSA-N 2 2 362.478 0.147 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000593350874 1196625458 /nfs/dbraw/zinc/62/54/58/1196625458.db2.gz XQMPYLJIMCTNOG-LZWOXQAQSA-N 2 2 368.478 0.127 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000593350874 1196625464 /nfs/dbraw/zinc/62/54/64/1196625464.db2.gz XQMPYLJIMCTNOG-LZWOXQAQSA-N 2 2 368.478 0.127 20 0 FCADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc[nH+]1 ZINC000594702751 1196734248 /nfs/dbraw/zinc/73/42/48/1196734248.db2.gz WQFAJYMUCIFDLD-LLDVTBCESA-N 2 2 374.489 0.840 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302799 1196811072 /nfs/dbraw/zinc/81/10/72/1196811072.db2.gz KMBSFNSKVAMTPV-DLBZAZTESA-N 2 2 357.458 0.713 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302799 1196811073 /nfs/dbraw/zinc/81/10/73/1196811073.db2.gz KMBSFNSKVAMTPV-DLBZAZTESA-N 2 2 357.458 0.713 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302805 1196811088 /nfs/dbraw/zinc/81/10/88/1196811088.db2.gz KMBSFNSKVAMTPV-IRXDYDNUSA-N 2 2 357.458 0.713 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](Cc4ccncc4)C3=O)C2)CC1 ZINC000761302805 1196811090 /nfs/dbraw/zinc/81/10/90/1196811090.db2.gz KMBSFNSKVAMTPV-IRXDYDNUSA-N 2 2 357.458 0.713 20 0 FCADLP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001077495470 1196971558 /nfs/dbraw/zinc/97/15/58/1196971558.db2.gz GVUVZKADHYPRQP-RRFJBIMHSA-N 2 2 365.478 0.113 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)CC[N@@H+]1C ZINC000992308459 1197057649 /nfs/dbraw/zinc/05/76/49/1197057649.db2.gz CEEDWQGGQGCLDS-KBRIMQKVSA-N 2 2 359.474 0.352 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)CC[N@H+]1C ZINC000992308459 1197057654 /nfs/dbraw/zinc/05/76/54/1197057654.db2.gz CEEDWQGGQGCLDS-KBRIMQKVSA-N 2 2 359.474 0.352 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)c1 ZINC000913757766 1197124745 /nfs/dbraw/zinc/12/47/45/1197124745.db2.gz UBLXNNSFSXWDKR-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C2)c1 ZINC000913757766 1197124752 /nfs/dbraw/zinc/12/47/52/1197124752.db2.gz UBLXNNSFSXWDKR-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)C2)c1 ZINC000913757766 1197124761 /nfs/dbraw/zinc/12/47/61/1197124761.db2.gz UBLXNNSFSXWDKR-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)C2)c1 ZINC000913757766 1197124766 /nfs/dbraw/zinc/12/47/66/1197124766.db2.gz UBLXNNSFSXWDKR-QWFCFKBJSA-N 2 2 361.486 0.767 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914221550 1197487057 /nfs/dbraw/zinc/48/70/57/1197487057.db2.gz YGHRMQWZHGLHGU-HNNXBMFYSA-N 2 2 369.510 0.933 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914221550 1197487060 /nfs/dbraw/zinc/48/70/60/1197487060.db2.gz YGHRMQWZHGLHGU-HNNXBMFYSA-N 2 2 369.510 0.933 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC000992935503 1197615753 /nfs/dbraw/zinc/61/57/53/1197615753.db2.gz CGPNJASCMVRLCK-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC000992936183 1197616966 /nfs/dbraw/zinc/61/69/66/1197616966.db2.gz VMONULPXPKNAHK-BEFAXECRSA-N 2 2 370.457 0.773 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719521 1197651230 /nfs/dbraw/zinc/65/12/30/1197651230.db2.gz HVZNHYCKAGSKEQ-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719521 1197651231 /nfs/dbraw/zinc/65/12/31/1197651231.db2.gz HVZNHYCKAGSKEQ-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719521 1197651234 /nfs/dbraw/zinc/65/12/34/1197651234.db2.gz HVZNHYCKAGSKEQ-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@H]2O)C1 ZINC001083719521 1197651238 /nfs/dbraw/zinc/65/12/38/1197651238.db2.gz HVZNHYCKAGSKEQ-NXHRZFHOSA-N 2 2 361.490 0.568 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085224927 1197700939 /nfs/dbraw/zinc/70/09/39/1197700939.db2.gz AVZXDJIHYGSOTK-ARFHVFGLSA-N 2 2 363.510 0.990 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001085224927 1197700949 /nfs/dbraw/zinc/70/09/49/1197700949.db2.gz AVZXDJIHYGSOTK-ARFHVFGLSA-N 2 2 363.510 0.990 20 0 FCADLP CC1(C)NC(=O)Nc2ccc(NC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)cc21 ZINC001219338288 1224432427 /nfs/dbraw/zinc/43/24/27/1224432427.db2.gz IPMFDRDJXUORLA-CQSZACIVSA-N 2 2 360.462 0.746 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743418 /nfs/dbraw/zinc/74/34/18/1197743418.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743429 /nfs/dbraw/zinc/74/34/29/1197743429.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743445 /nfs/dbraw/zinc/74/34/45/1197743445.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC000734275046 1197743456 /nfs/dbraw/zinc/74/34/56/1197743456.db2.gz OHAAEGOCVQFKOQ-SZMVWBNQSA-N 3 2 365.522 0.317 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001085248338 1197744913 /nfs/dbraw/zinc/74/49/13/1197744913.db2.gz FZZBLHADSCGDDT-IAOVAPTHSA-N 2 2 357.462 0.791 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248307 1197745200 /nfs/dbraw/zinc/74/52/00/1197745200.db2.gz DONDWVJHMZZWEH-FVQBIDKESA-N 2 2 357.462 0.791 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001085248467 1197746475 /nfs/dbraw/zinc/74/64/75/1197746475.db2.gz LJWVRPMSSDYLRK-USXIJHARSA-N 2 2 357.462 0.754 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001085250452 1197748930 /nfs/dbraw/zinc/74/89/30/1197748930.db2.gz VBKAGPLZTGXOQA-USXIJHARSA-N 2 2 357.462 0.754 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000993085462 1197808380 /nfs/dbraw/zinc/80/83/80/1197808380.db2.gz MVEUMHLFJYIJJE-ABSDTBQOSA-N 2 2 371.485 0.532 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[nH]1 ZINC001085308665 1197809952 /nfs/dbraw/zinc/80/99/52/1197809952.db2.gz CEFQRFQJGFEEDT-BZUAXINKSA-N 2 2 364.494 0.739 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[nH]1 ZINC001085308665 1197809955 /nfs/dbraw/zinc/80/99/55/1197809955.db2.gz CEFQRFQJGFEEDT-BZUAXINKSA-N 2 2 364.494 0.739 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993098748 1197822988 /nfs/dbraw/zinc/82/29/88/1197822988.db2.gz UCZVNNNUTXRMFG-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993098748 1197822992 /nfs/dbraw/zinc/82/29/92/1197822992.db2.gz UCZVNNNUTXRMFG-ALKREAHSSA-N 2 2 359.474 0.743 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C ZINC001085337825 1197831524 /nfs/dbraw/zinc/83/15/24/1197831524.db2.gz WUACABIIHSGLFQ-AAVRWANBSA-N 2 2 358.450 0.264 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106312623 1197862183 /nfs/dbraw/zinc/86/21/83/1197862183.db2.gz LBTBQEJYHRWCFW-GDBMZVCRSA-N 2 2 360.458 0.549 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)nn1 ZINC001085394519 1197862856 /nfs/dbraw/zinc/86/28/56/1197862856.db2.gz PBCGSIGJFPZWFD-HZPDHXFCSA-N 2 2 358.446 0.978 20 0 FCADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)C1=O ZINC001085393663 1197865276 /nfs/dbraw/zinc/86/52/76/1197865276.db2.gz GUWLTOCVUYPVHP-BRWVUGGUSA-N 2 2 361.490 0.989 20 0 FCADLP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106334023 1197869410 /nfs/dbraw/zinc/86/94/10/1197869410.db2.gz TXXMLULSWJYUHA-BZUAXINKSA-N 2 2 361.490 0.654 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106339790 1197869771 /nfs/dbraw/zinc/86/97/71/1197869771.db2.gz AMHLEGJKWWNLTA-BZUAXINKSA-N 2 2 361.490 0.656 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001106342725 1197871240 /nfs/dbraw/zinc/87/12/40/1197871240.db2.gz BGCRUDRSEMKFAW-BPLDGKMQSA-N 2 2 361.490 0.643 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001106342725 1197871244 /nfs/dbraw/zinc/87/12/44/1197871244.db2.gz BGCRUDRSEMKFAW-BPLDGKMQSA-N 2 2 361.490 0.643 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]CC(=O)N3CCc4ccccc43)cn2)CC1 ZINC000761965445 1197877351 /nfs/dbraw/zinc/87/73/51/1197877351.db2.gz MCIKXKQUJMBXOP-UHFFFAOYSA-N 2 2 366.469 0.907 20 0 FCADLP C[C@@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]1CN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC000993148641 1197882053 /nfs/dbraw/zinc/88/20/53/1197882053.db2.gz FDDWPDRLUHBWNO-BEFAXECRSA-N 2 2 371.485 0.888 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001085422102 1197886529 /nfs/dbraw/zinc/88/65/29/1197886529.db2.gz HXHNPHVWKBKGIM-RBSFLKMASA-N 2 2 365.478 0.727 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001085422102 1197886534 /nfs/dbraw/zinc/88/65/34/1197886534.db2.gz HXHNPHVWKBKGIM-RBSFLKMASA-N 2 2 365.478 0.727 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1)C1CCCC1 ZINC001273339206 1197931043 /nfs/dbraw/zinc/93/10/43/1197931043.db2.gz OSRDPPGTDWAIEI-ROUUACIJSA-N 2 2 361.490 0.669 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1)C1CCCC1 ZINC001273339206 1197931053 /nfs/dbraw/zinc/93/10/53/1197931053.db2.gz OSRDPPGTDWAIEI-ROUUACIJSA-N 2 2 361.490 0.669 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106474455 1197958182 /nfs/dbraw/zinc/95/81/82/1197958182.db2.gz NDCBMBJKUWMSDD-BRWVUGGUSA-N 2 2 368.522 0.260 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106474455 1197958191 /nfs/dbraw/zinc/95/81/91/1197958191.db2.gz NDCBMBJKUWMSDD-BRWVUGGUSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001086119959 1198178900 /nfs/dbraw/zinc/17/89/00/1198178900.db2.gz HBYCKSSCZUCROP-RJZRQDKASA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC001086119959 1198178908 /nfs/dbraw/zinc/17/89/08/1198178908.db2.gz HBYCKSSCZUCROP-RJZRQDKASA-N 2 2 363.462 0.651 20 0 FCADLP CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001086201174 1198249887 /nfs/dbraw/zinc/24/98/87/1198249887.db2.gz MNDIENJCLZNIQW-JKJDWNRSSA-N 2 2 359.474 0.629 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001006289100 1198251912 /nfs/dbraw/zinc/25/19/12/1198251912.db2.gz PQCAUWQSDUNAEH-JJXSEGSLSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001086202076 1198253314 /nfs/dbraw/zinc/25/33/14/1198253314.db2.gz GVBRJYQPXKDEFF-YIDVYQOGSA-N 2 2 359.474 0.629 20 0 FCADLP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552819 1224506719 /nfs/dbraw/zinc/50/67/19/1224506719.db2.gz KLVXOAIIPCJHHL-CVEARBPZSA-N 2 2 358.442 0.891 20 0 FCADLP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552819 1224506724 /nfs/dbraw/zinc/50/67/24/1224506724.db2.gz KLVXOAIIPCJHHL-CVEARBPZSA-N 2 2 358.442 0.891 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001219553297 1224507252 /nfs/dbraw/zinc/50/72/52/1224507252.db2.gz XYQZDKXYFCOXMV-MSOLQXFVSA-N 2 2 370.453 0.777 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1O ZINC001219553297 1224507255 /nfs/dbraw/zinc/50/72/55/1224507255.db2.gz XYQZDKXYFCOXMV-MSOLQXFVSA-N 2 2 370.453 0.777 20 0 FCADLP Cn1cc(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001086482676 1198956207 /nfs/dbraw/zinc/95/62/07/1198956207.db2.gz QTLFGGYLCPKHMP-QBPKDAKJSA-N 2 2 356.474 0.984 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nncn1C ZINC001086482734 1198956235 /nfs/dbraw/zinc/95/62/35/1198956235.db2.gz UALSMCPJPNQLQQ-BTFPBAQTSA-N 2 2 357.462 0.898 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001086482337 1198956382 /nfs/dbraw/zinc/95/63/82/1198956382.db2.gz AEBKNGMJEDNCNC-QBPKDAKJSA-N 2 2 371.489 0.917 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006327388 1198993979 /nfs/dbraw/zinc/99/39/79/1198993979.db2.gz UMWLKAQCPFYLBZ-DAXOMENPSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001006327388 1198993986 /nfs/dbraw/zinc/99/39/86/1198993986.db2.gz UMWLKAQCPFYLBZ-DAXOMENPSA-N 2 2 359.474 0.818 20 0 FCADLP CCOC(=O)C1(Nc2cc(N3CC[NH+](C)CC3)ncn2)CC[NH+](C)CC1 ZINC001169492482 1199070908 /nfs/dbraw/zinc/07/09/08/1199070908.db2.gz PPKHLERWQXTSDS-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129370178 1199128403 /nfs/dbraw/zinc/12/84/03/1199128403.db2.gz QXTSKMICNQMEGF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129370178 1199128406 /nfs/dbraw/zinc/12/84/06/1199128406.db2.gz QXTSKMICNQMEGF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129370178 1199128410 /nfs/dbraw/zinc/12/84/10/1199128410.db2.gz QXTSKMICNQMEGF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1n1ccnn1 ZINC001129370178 1199128413 /nfs/dbraw/zinc/12/84/13/1199128413.db2.gz QXTSKMICNQMEGF-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617970 1224529617 /nfs/dbraw/zinc/52/96/17/1224529617.db2.gz SPFONQMIOYHSFC-ZIFCJYIRSA-N 2 2 364.465 0.029 20 0 FCADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617970 1224529622 /nfs/dbraw/zinc/52/96/22/1224529622.db2.gz SPFONQMIOYHSFC-ZIFCJYIRSA-N 2 2 364.465 0.029 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001219669186 1224550264 /nfs/dbraw/zinc/55/02/64/1224550264.db2.gz OUURHTYCEHTHSY-INIZCTEOSA-N 2 2 357.462 0.140 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001109067347 1200037237 /nfs/dbraw/zinc/03/72/37/1200037237.db2.gz BYFJLASOUUQRKG-UGUYLWEFSA-N 2 2 365.522 0.900 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNC(=O)NC(C)(C)C ZINC001109067347 1200037240 /nfs/dbraw/zinc/03/72/40/1200037240.db2.gz BYFJLASOUUQRKG-UGUYLWEFSA-N 2 2 365.522 0.900 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)(C)C ZINC001109067347 1200037251 /nfs/dbraw/zinc/03/72/51/1200037251.db2.gz BYFJLASOUUQRKG-UGUYLWEFSA-N 2 2 365.522 0.900 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)(C)C ZINC001109067347 1200037258 /nfs/dbraw/zinc/03/72/58/1200037258.db2.gz BYFJLASOUUQRKG-UGUYLWEFSA-N 2 2 365.522 0.900 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285554 1200145232 /nfs/dbraw/zinc/14/52/32/1200145232.db2.gz LRLMXSORVGGBLC-NCOADZHNSA-N 2 2 358.442 0.985 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285554 1200145241 /nfs/dbraw/zinc/14/52/41/1200145241.db2.gz LRLMXSORVGGBLC-NCOADZHNSA-N 2 2 358.442 0.985 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001109294495 1200153141 /nfs/dbraw/zinc/15/31/41/1200153141.db2.gz QEITVEQEJREJJY-XWSJACJDSA-N 2 2 374.529 0.966 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2)NCC1CCC1 ZINC001109294495 1200153147 /nfs/dbraw/zinc/15/31/47/1200153147.db2.gz QEITVEQEJREJJY-XWSJACJDSA-N 2 2 374.529 0.966 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cccn1 ZINC001109398282 1200244901 /nfs/dbraw/zinc/24/49/01/1200244901.db2.gz VBUSUFPQROMHDG-VSZNYVQBSA-N 2 2 371.489 0.432 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001109398282 1200244909 /nfs/dbraw/zinc/24/49/09/1200244909.db2.gz VBUSUFPQROMHDG-VSZNYVQBSA-N 2 2 371.489 0.432 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109527456 1200364465 /nfs/dbraw/zinc/36/44/65/1200364465.db2.gz UWCMSVYBCDYJLC-SIXLDLHFSA-N 2 2 359.474 0.828 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109527456 1200364470 /nfs/dbraw/zinc/36/44/70/1200364470.db2.gz UWCMSVYBCDYJLC-SIXLDLHFSA-N 2 2 359.474 0.828 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCNC1=O ZINC001109843121 1200555972 /nfs/dbraw/zinc/55/59/72/1200555972.db2.gz CXGPRHXODYPCJS-QZWWFDLISA-N 2 2 364.490 0.099 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCNC1=O ZINC001109843121 1200555979 /nfs/dbraw/zinc/55/59/79/1200555979.db2.gz CXGPRHXODYPCJS-QZWWFDLISA-N 2 2 364.490 0.099 20 0 FCADLP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847701 1200559791 /nfs/dbraw/zinc/55/97/91/1200559791.db2.gz CRXCFPCBNBWKSK-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847701 1200559793 /nfs/dbraw/zinc/55/97/93/1200559793.db2.gz CRXCFPCBNBWKSK-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798402 1224618792 /nfs/dbraw/zinc/61/87/92/1224618792.db2.gz KXALWEZDLSWOSC-CVEARBPZSA-N 2 2 365.449 0.980 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798402 1224618794 /nfs/dbraw/zinc/61/87/94/1224618794.db2.gz KXALWEZDLSWOSC-CVEARBPZSA-N 2 2 365.449 0.980 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001109864411 1200574986 /nfs/dbraw/zinc/57/49/86/1200574986.db2.gz ATRNRWAWMVFWEV-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001109864411 1200574993 /nfs/dbraw/zinc/57/49/93/1200574993.db2.gz ATRNRWAWMVFWEV-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109865485 1200576762 /nfs/dbraw/zinc/57/67/62/1200576762.db2.gz SESVAJCEBYRWJC-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109865485 1200576768 /nfs/dbraw/zinc/57/67/68/1200576768.db2.gz SESVAJCEBYRWJC-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001219800910 1224620650 /nfs/dbraw/zinc/62/06/50/1224620650.db2.gz YVQFZFNCSAFDOJ-QYZOEREBSA-N 2 2 371.485 0.217 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O ZINC001219800910 1224620660 /nfs/dbraw/zinc/62/06/60/1224620660.db2.gz YVQFZFNCSAFDOJ-QYZOEREBSA-N 2 2 371.485 0.217 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922591 1200611357 /nfs/dbraw/zinc/61/13/57/1200611357.db2.gz ILPDTZCWWDZYCQ-CBZIJGRNSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922591 1200611363 /nfs/dbraw/zinc/61/13/63/1200611363.db2.gz ILPDTZCWWDZYCQ-CBZIJGRNSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922592 1200611809 /nfs/dbraw/zinc/61/18/09/1200611809.db2.gz ILPDTZCWWDZYCQ-CVYDXHPNSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922592 1200611815 /nfs/dbraw/zinc/61/18/15/1200611815.db2.gz ILPDTZCWWDZYCQ-CVYDXHPNSA-N 2 2 371.441 0.610 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)C1CC1 ZINC001219803735 1224622607 /nfs/dbraw/zinc/62/26/07/1224622607.db2.gz DWRVQDOHIWHOLP-SQNIBIBYSA-N 2 2 365.449 0.320 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O)C1CC1 ZINC001219803735 1224622614 /nfs/dbraw/zinc/62/26/14/1224622614.db2.gz DWRVQDOHIWHOLP-SQNIBIBYSA-N 2 2 365.449 0.320 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001219804315 1224623722 /nfs/dbraw/zinc/62/37/22/1224623722.db2.gz SDPPFBWCPZQNND-RYRKJORJSA-N 2 2 361.490 0.149 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)ccn1 ZINC001219804315 1224623725 /nfs/dbraw/zinc/62/37/25/1224623725.db2.gz SDPPFBWCPZQNND-RYRKJORJSA-N 2 2 361.490 0.149 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986280 1200677141 /nfs/dbraw/zinc/67/71/41/1200677141.db2.gz NLIPFTJISCKLSJ-ZSEWYUTFSA-N 2 2 374.445 0.066 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001109986280 1200677145 /nfs/dbraw/zinc/67/71/45/1200677145.db2.gz NLIPFTJISCKLSJ-ZSEWYUTFSA-N 2 2 374.445 0.066 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812072 1224627843 /nfs/dbraw/zinc/62/78/43/1224627843.db2.gz KLODNNCAGHUVOT-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812072 1224627847 /nfs/dbraw/zinc/62/78/47/1224627847.db2.gz KLODNNCAGHUVOT-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812072 1224627851 /nfs/dbraw/zinc/62/78/51/1224627851.db2.gz KLODNNCAGHUVOT-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812072 1224627852 /nfs/dbraw/zinc/62/78/52/1224627852.db2.gz KLODNNCAGHUVOT-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001110016312 1200705435 /nfs/dbraw/zinc/70/54/35/1200705435.db2.gz IEOTXENRPUVODF-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001110016312 1200705443 /nfs/dbraw/zinc/70/54/43/1200705443.db2.gz IEOTXENRPUVODF-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001110016312 1200705451 /nfs/dbraw/zinc/70/54/51/1200705451.db2.gz IEOTXENRPUVODF-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001110016312 1200705457 /nfs/dbraw/zinc/70/54/57/1200705457.db2.gz IEOTXENRPUVODF-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000785648876 1200778366 /nfs/dbraw/zinc/77/83/66/1200778366.db2.gz NTYMKMAODYWCCD-GVDBMIGSSA-N 2 2 367.490 0.583 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000785648876 1200778369 /nfs/dbraw/zinc/77/83/69/1200778369.db2.gz NTYMKMAODYWCCD-GVDBMIGSSA-N 2 2 367.490 0.583 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563394 1200796181 /nfs/dbraw/zinc/79/61/81/1200796181.db2.gz TXKMRNJTQFSIRL-DOXZYTNZSA-N 2 2 364.490 0.913 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001112570432 1200802687 /nfs/dbraw/zinc/80/26/87/1200802687.db2.gz WVGXTKKROYBRMC-DOXZYTNZSA-N 2 2 361.490 0.956 20 0 FCADLP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2)C(N)=O ZINC001112572003 1200803604 /nfs/dbraw/zinc/80/36/04/1200803604.db2.gz ZHYYGDKBPZHMMF-GMBSWORKSA-N 2 2 361.490 0.835 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571602 1200803628 /nfs/dbraw/zinc/80/36/28/1200803628.db2.gz FGCNTSICXRDBAU-KXBFYZLASA-N 2 2 361.490 0.659 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590375 1200828934 /nfs/dbraw/zinc/82/89/34/1200828934.db2.gz RJEJIKDSMRWGFE-LNLFQRSKSA-N 2 2 364.490 0.889 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000786459932 1200839432 /nfs/dbraw/zinc/83/94/32/1200839432.db2.gz UZCUNYYYBCPUBH-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCC[NH+]1CCCCC1 ZINC000787003435 1200859663 /nfs/dbraw/zinc/85/96/63/1200859663.db2.gz XULJPHCXQYACEB-QGZVFWFLSA-N 2 2 367.490 0.729 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000787485854 1200888927 /nfs/dbraw/zinc/88/89/27/1200888927.db2.gz RGBVMITXCNQRGR-HNNXBMFYSA-N 2 2 368.441 0.545 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000787485854 1200888929 /nfs/dbraw/zinc/88/89/29/1200888929.db2.gz RGBVMITXCNQRGR-HNNXBMFYSA-N 2 2 368.441 0.545 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829736 1224641082 /nfs/dbraw/zinc/64/10/82/1224641082.db2.gz CFJZMQYVPGLLKF-UXLLHSPISA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829736 1224641088 /nfs/dbraw/zinc/64/10/88/1224641088.db2.gz CFJZMQYVPGLLKF-UXLLHSPISA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829736 1224641095 /nfs/dbraw/zinc/64/10/95/1224641095.db2.gz CFJZMQYVPGLLKF-UXLLHSPISA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829736 1224641106 /nfs/dbraw/zinc/64/11/06/1224641106.db2.gz CFJZMQYVPGLLKF-UXLLHSPISA-N 2 2 364.494 0.142 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086599438 1201147119 /nfs/dbraw/zinc/14/71/19/1201147119.db2.gz OLNDPZXKRXGKKU-RCCFBDPRSA-N 2 2 367.453 0.664 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1c1ccccc1 ZINC001086599438 1201147125 /nfs/dbraw/zinc/14/71/25/1201147125.db2.gz OLNDPZXKRXGKKU-RCCFBDPRSA-N 2 2 367.453 0.664 20 0 FCADLP C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1nnnn1C1CC1)c1nnnn1C1CC1 ZINC000792472192 1201194288 /nfs/dbraw/zinc/19/42/88/1201194288.db2.gz CRAUEXCZNZKPSA-QSKOYVBTSA-N 2 2 358.454 0.887 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O)[NH+](C)C ZINC001219868877 1224663458 /nfs/dbraw/zinc/66/34/58/1224663458.db2.gz CEVGODWINJFYBL-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@@H]1O)[NH+](C)C ZINC001219868877 1224663462 /nfs/dbraw/zinc/66/34/62/1224663462.db2.gz CEVGODWINJFYBL-ZACQAIPSSA-N 2 2 368.522 0.135 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129411760 1201298933 /nfs/dbraw/zinc/29/89/33/1201298933.db2.gz FAEQLVZVQODNRJ-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129411760 1201298942 /nfs/dbraw/zinc/29/89/42/1201298942.db2.gz FAEQLVZVQODNRJ-CVEARBPZSA-N 2 2 361.450 0.022 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433737 1201314676 /nfs/dbraw/zinc/31/46/76/1201314676.db2.gz PBRKGSZIOFQGOO-SJORKVTESA-N 2 2 364.494 0.532 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433737 1201314682 /nfs/dbraw/zinc/31/46/82/1201314682.db2.gz PBRKGSZIOFQGOO-SJORKVTESA-N 2 2 364.494 0.532 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219874987 1224667226 /nfs/dbraw/zinc/66/72/26/1224667226.db2.gz MJMGEPCJYZQCBP-ZACQAIPSSA-N 2 2 370.538 0.381 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219874987 1224667230 /nfs/dbraw/zinc/66/72/30/1224667230.db2.gz MJMGEPCJYZQCBP-ZACQAIPSSA-N 2 2 370.538 0.381 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086624127 1201359304 /nfs/dbraw/zinc/35/93/04/1201359304.db2.gz OUHZZCYKTHBHRX-XOKHGSTOSA-N 2 2 355.442 0.650 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086624127 1201359312 /nfs/dbraw/zinc/35/93/12/1201359312.db2.gz OUHZZCYKTHBHRX-XOKHGSTOSA-N 2 2 355.442 0.650 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624215 1201359879 /nfs/dbraw/zinc/35/98/79/1201359879.db2.gz SLGMPHMCBVUOFN-DLBZAZTESA-N 2 2 355.442 0.522 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624215 1201359883 /nfs/dbraw/zinc/35/98/83/1201359883.db2.gz SLGMPHMCBVUOFN-DLBZAZTESA-N 2 2 355.442 0.522 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879286 1224668246 /nfs/dbraw/zinc/66/82/46/1224668246.db2.gz IEKYYAXJDJSAMG-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879286 1224668250 /nfs/dbraw/zinc/66/82/50/1224668250.db2.gz IEKYYAXJDJSAMG-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879286 1224668255 /nfs/dbraw/zinc/66/82/55/1224668255.db2.gz IEKYYAXJDJSAMG-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879286 1224668257 /nfs/dbraw/zinc/66/82/57/1224668257.db2.gz IEKYYAXJDJSAMG-QYZOEREBSA-N 2 2 361.486 0.849 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910180 1201422646 /nfs/dbraw/zinc/42/26/46/1201422646.db2.gz HGULPROOJJELNN-CVEARBPZSA-N 2 2 355.402 0.456 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129897604 1201431400 /nfs/dbraw/zinc/43/14/00/1201431400.db2.gz BUSXZNPECWZVMI-SRABZTEZSA-N 2 2 373.461 0.571 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129897604 1201431404 /nfs/dbraw/zinc/43/14/04/1201431404.db2.gz BUSXZNPECWZVMI-SRABZTEZSA-N 2 2 373.461 0.571 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900809 1201433656 /nfs/dbraw/zinc/43/36/56/1201433656.db2.gz KIJLAEGNMZBXDT-ARFHVFGLSA-N 2 2 358.442 0.967 20 0 FCADLP Cc1ccccc1OC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129900809 1201433659 /nfs/dbraw/zinc/43/36/59/1201433659.db2.gz KIJLAEGNMZBXDT-ARFHVFGLSA-N 2 2 358.442 0.967 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001129941402 1201439761 /nfs/dbraw/zinc/43/97/61/1201439761.db2.gz YXVKLTUZCNTJTC-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001219903050 1224676450 /nfs/dbraw/zinc/67/64/50/1224676450.db2.gz RDSYLERMOAWORX-CVEARBPZSA-N 2 2 362.474 0.177 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001219903050 1224676453 /nfs/dbraw/zinc/67/64/53/1224676453.db2.gz RDSYLERMOAWORX-CVEARBPZSA-N 2 2 362.474 0.177 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001219903050 1224676455 /nfs/dbraw/zinc/67/64/55/1224676455.db2.gz RDSYLERMOAWORX-CVEARBPZSA-N 2 2 362.474 0.177 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001219903050 1224676459 /nfs/dbraw/zinc/67/64/59/1224676459.db2.gz RDSYLERMOAWORX-CVEARBPZSA-N 2 2 362.474 0.177 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130086369 1201495093 /nfs/dbraw/zinc/49/50/93/1201495093.db2.gz XUUNPNYAITXPPR-OLZOCXBDSA-N 2 2 371.367 0.548 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001130106981 1201502018 /nfs/dbraw/zinc/50/20/18/1201502018.db2.gz BWWBBSFXYFNIRG-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001130106981 1201502021 /nfs/dbraw/zinc/50/20/21/1201502021.db2.gz BWWBBSFXYFNIRG-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001130107008 1201502077 /nfs/dbraw/zinc/50/20/77/1201502077.db2.gz DDCORCFYQWLTHT-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001130107008 1201502083 /nfs/dbraw/zinc/50/20/83/1201502083.db2.gz DDCORCFYQWLTHT-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@H+](C)C2CCC2)n[nH]1 ZINC001130220593 1201548083 /nfs/dbraw/zinc/54/80/83/1201548083.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[N@@H+](C)C2CCC2)n[nH]1 ZINC001130220593 1201548089 /nfs/dbraw/zinc/54/80/89/1201548089.db2.gz FXCOIPKODKEUCK-GJZGRUSLSA-N 2 2 364.494 0.776 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219920060 1224681889 /nfs/dbraw/zinc/68/18/89/1224681889.db2.gz ZJUYYTWJAAJCMV-CVEARBPZSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219920060 1224681890 /nfs/dbraw/zinc/68/18/90/1224681890.db2.gz ZJUYYTWJAAJCMV-CVEARBPZSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219920060 1224681893 /nfs/dbraw/zinc/68/18/93/1224681893.db2.gz ZJUYYTWJAAJCMV-CVEARBPZSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219920060 1224681897 /nfs/dbraw/zinc/68/18/97/1224681897.db2.gz ZJUYYTWJAAJCMV-CVEARBPZSA-N 2 2 368.522 0.279 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011632 1224727290 /nfs/dbraw/zinc/72/72/90/1224727290.db2.gz YHIHOZYPXPTZES-ZNMIVQPWSA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011632 1224727292 /nfs/dbraw/zinc/72/72/92/1224727292.db2.gz YHIHOZYPXPTZES-ZNMIVQPWSA-N 2 2 365.478 0.046 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017466 1224728568 /nfs/dbraw/zinc/72/85/68/1224728568.db2.gz FFGSOSQNYVRQGU-AEFFLSMTSA-N 2 2 364.490 0.740 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220017466 1224728571 /nfs/dbraw/zinc/72/85/71/1224728571.db2.gz FFGSOSQNYVRQGU-AEFFLSMTSA-N 2 2 364.490 0.740 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220053297 1224738826 /nfs/dbraw/zinc/73/88/26/1224738826.db2.gz DYBLNACIKDRSSN-SJORKVTESA-N 2 2 364.490 0.721 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@@H]1O ZINC001220053297 1224738829 /nfs/dbraw/zinc/73/88/29/1224738829.db2.gz DYBLNACIKDRSSN-SJORKVTESA-N 2 2 364.490 0.721 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220053473 1224739486 /nfs/dbraw/zinc/73/94/86/1224739486.db2.gz OATZWEYESPGUHJ-ZACQAIPSSA-N 2 2 364.490 0.455 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220053473 1224739494 /nfs/dbraw/zinc/73/94/94/1224739494.db2.gz OATZWEYESPGUHJ-ZACQAIPSSA-N 2 2 364.490 0.455 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cn(C)cn2)n1 ZINC001130669638 1202751635 /nfs/dbraw/zinc/75/16/35/1202751635.db2.gz IASSATYWZPPPLP-DZGCQCFKSA-N 2 2 361.450 0.147 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1)OC ZINC001130698909 1202757996 /nfs/dbraw/zinc/75/79/96/1202757996.db2.gz WJACKWWZSMZZDH-OFQRWUPVSA-N 2 2 360.462 0.695 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130772615 1202788346 /nfs/dbraw/zinc/78/83/46/1202788346.db2.gz UJSFCLFYTIUIFA-MELADBBJSA-N 2 2 368.457 0.684 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n[nH]1 ZINC001130772615 1202788349 /nfs/dbraw/zinc/78/83/49/1202788349.db2.gz UJSFCLFYTIUIFA-MELADBBJSA-N 2 2 368.457 0.684 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073435 1224745532 /nfs/dbraw/zinc/74/55/32/1224745532.db2.gz ARCMPPJYHMVNOM-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073435 1224745535 /nfs/dbraw/zinc/74/55/35/1224745535.db2.gz ARCMPPJYHMVNOM-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073435 1224745540 /nfs/dbraw/zinc/74/55/40/1224745540.db2.gz ARCMPPJYHMVNOM-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CC[C@@H]([NH+]2C[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001220073435 1224745545 /nfs/dbraw/zinc/74/55/45/1224745545.db2.gz ARCMPPJYHMVNOM-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)ncn1 ZINC001220078524 1224749103 /nfs/dbraw/zinc/74/91/03/1224749103.db2.gz UBXFWAUINQPCFJ-SJORKVTESA-N 2 2 361.490 0.711 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC3([NH+](C)C)CCCC3)[C@@H](O)C2)ncn1 ZINC001220078524 1224749108 /nfs/dbraw/zinc/74/91/08/1224749108.db2.gz UBXFWAUINQPCFJ-SJORKVTESA-N 2 2 361.490 0.711 20 0 FCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079027 1202859778 /nfs/dbraw/zinc/85/97/78/1202859778.db2.gz AUCJCNSAZKXADT-FVQBIDKESA-N 2 2 360.462 0.431 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086666127 1202889234 /nfs/dbraw/zinc/88/92/34/1202889234.db2.gz ZGOCYSFDAPAIEG-ZMSDIMECSA-N 2 2 364.494 0.312 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086666127 1202889235 /nfs/dbraw/zinc/88/92/35/1202889235.db2.gz ZGOCYSFDAPAIEG-ZMSDIMECSA-N 2 2 364.494 0.312 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131594930 1202918918 /nfs/dbraw/zinc/91/89/18/1202918918.db2.gz IKHWZNFKCKWBDC-YJLNNSPDSA-N 2 2 364.490 0.983 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NCc1ccco1 ZINC001134045408 1203011018 /nfs/dbraw/zinc/01/10/18/1203011018.db2.gz FIFHTSKDVXDIFX-NWANDNLSSA-N 2 2 359.430 0.527 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Nc1ncccn1 ZINC001134049880 1203011517 /nfs/dbraw/zinc/01/15/17/1203011517.db2.gz SHYWVRDQANVZNO-YNEHKIRRSA-N 2 2 357.418 0.047 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1)N1CCC1 ZINC001086735582 1203062047 /nfs/dbraw/zinc/06/20/47/1203062047.db2.gz DMMFJRWJICTQPH-ARFHVFGLSA-N 2 2 359.474 0.552 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001086736309 1203062609 /nfs/dbraw/zinc/06/26/09/1203062609.db2.gz LGONXOLVEVPMGE-ARFHVFGLSA-N 2 2 357.462 0.612 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001086737531 1203063738 /nfs/dbraw/zinc/06/37/38/1203063738.db2.gz NOYIGWGBQXQXCE-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001086737530 1203063960 /nfs/dbraw/zinc/06/39/60/1203063960.db2.gz NOYIGWGBQXQXCE-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1c2ccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc2oc1=O ZINC000816549820 1203072160 /nfs/dbraw/zinc/07/21/60/1203072160.db2.gz YUIYIDDXWRPXIV-MRXNPFEDSA-N 2 2 360.458 0.628 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@H](C(=O)OC)CC3=O)CC2)CC1 ZINC000817373846 1203102377 /nfs/dbraw/zinc/10/23/77/1203102377.db2.gz RXGDOKORYKKUKA-MRXNPFEDSA-N 2 2 366.506 0.457 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@H](C(=O)OC)CC3=O)CC2)CC1 ZINC000817373846 1203102379 /nfs/dbraw/zinc/10/23/79/1203102379.db2.gz RXGDOKORYKKUKA-MRXNPFEDSA-N 2 2 366.506 0.457 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220105696 1224766040 /nfs/dbraw/zinc/76/60/40/1224766040.db2.gz IANMJDUEHKIEDX-ZACQAIPSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCCO2)C[C@@H]1O ZINC001220105696 1224766047 /nfs/dbraw/zinc/76/60/47/1224766047.db2.gz IANMJDUEHKIEDX-ZACQAIPSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019945 1203132722 /nfs/dbraw/zinc/13/27/22/1203132722.db2.gz PKJVJVCKTVUPLO-FQEVSTJZSA-N 2 2 371.485 0.865 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000819837832 1203172246 /nfs/dbraw/zinc/17/22/46/1203172246.db2.gz SOFHOHPLAPQOBP-HKUYNNGSSA-N 2 2 361.486 0.757 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4C[C@]45CC[NH2+]C5)n3)cn2)CC1 ZINC000822973333 1203243066 /nfs/dbraw/zinc/24/30/66/1203243066.db2.gz UEIDMRVSLMFSTJ-LIRRHRJNSA-N 2 2 368.441 0.986 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822973092 1203243196 /nfs/dbraw/zinc/24/31/96/1203243196.db2.gz QJGPNGMZHLTZEJ-CQSZACIVSA-N 2 2 372.429 0.050 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+][C@H](C)C(N)=O)cc1 ZINC001090881227 1203329342 /nfs/dbraw/zinc/32/93/42/1203329342.db2.gz ARTUCAQMIZDHNG-OAUYIBNBSA-N 2 2 371.441 0.419 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+][C@@H](C)C(N)=O)cc1 ZINC001090888374 1203333083 /nfs/dbraw/zinc/33/30/83/1203333083.db2.gz LYFMZBBEAILEBS-RRQGHBQHSA-N 2 2 371.441 0.350 20 0 FCADLP CO[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001090899773 1203339641 /nfs/dbraw/zinc/33/96/41/1203339641.db2.gz GAWWOZPNFCZSIZ-HZPDHXFCSA-N 2 2 365.478 0.300 20 0 FCADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234006 1224811801 /nfs/dbraw/zinc/81/18/01/1224811801.db2.gz PQWKIURHKTXKOX-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234006 1224811803 /nfs/dbraw/zinc/81/18/03/1224811803.db2.gz PQWKIURHKTXKOX-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220238421 1224813051 /nfs/dbraw/zinc/81/30/51/1224813051.db2.gz VVIDDBMGFKVBTP-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001220238421 1224813052 /nfs/dbraw/zinc/81/30/52/1224813052.db2.gz VVIDDBMGFKVBTP-CVEARBPZSA-N 2 2 363.458 0.461 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269102 1224817378 /nfs/dbraw/zinc/81/73/78/1224817378.db2.gz POSDZJSZANQGTQ-IMJJTQAJSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269102 1224817380 /nfs/dbraw/zinc/81/73/80/1224817380.db2.gz POSDZJSZANQGTQ-IMJJTQAJSA-N 2 2 368.522 0.183 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220273340 1224818745 /nfs/dbraw/zinc/81/87/45/1224818745.db2.gz IEGVLEMFGKTPNQ-MSOLQXFVSA-N 2 2 357.458 0.485 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001220273340 1224818749 /nfs/dbraw/zinc/81/87/49/1224818749.db2.gz IEGVLEMFGKTPNQ-MSOLQXFVSA-N 2 2 357.458 0.485 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297039 1224823506 /nfs/dbraw/zinc/82/35/06/1224823506.db2.gz IISRDEFMUMIIPS-SOLBZPMBSA-N 2 2 370.538 0.383 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297039 1224823508 /nfs/dbraw/zinc/82/35/08/1224823508.db2.gz IISRDEFMUMIIPS-SOLBZPMBSA-N 2 2 370.538 0.383 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001091079698 1204493338 /nfs/dbraw/zinc/49/33/38/1204493338.db2.gz YVJKEJRKQGOZBX-QDIHITRGSA-N 2 2 357.462 0.906 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001091079698 1204493346 /nfs/dbraw/zinc/49/33/46/1204493346.db2.gz YVJKEJRKQGOZBX-QDIHITRGSA-N 2 2 357.462 0.906 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342560 1224834200 /nfs/dbraw/zinc/83/42/00/1224834200.db2.gz GLHOABNGOAOADK-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@@H]1O)[NH+](CC)CC ZINC001220342560 1224834204 /nfs/dbraw/zinc/83/42/04/1224834204.db2.gz GLHOABNGOAOADK-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091175828 1204570544 /nfs/dbraw/zinc/57/05/44/1204570544.db2.gz UKRLYKUCHKUROM-CABCVRRESA-N 2 2 359.474 0.670 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091191963 1204594239 /nfs/dbraw/zinc/59/42/39/1204594239.db2.gz DZWHTNHPQTTXBQ-CVEARBPZSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091191963 1204594245 /nfs/dbraw/zinc/59/42/45/1204594245.db2.gz DZWHTNHPQTTXBQ-CVEARBPZSA-N 2 2 359.474 0.812 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369709 1224845960 /nfs/dbraw/zinc/84/59/60/1224845960.db2.gz OHDOGPGZKIJBHS-ZNMIVQPWSA-N 2 2 370.538 0.429 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369709 1224845965 /nfs/dbraw/zinc/84/59/65/1224845965.db2.gz OHDOGPGZKIJBHS-ZNMIVQPWSA-N 2 2 370.538 0.429 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369709 1224845967 /nfs/dbraw/zinc/84/59/67/1224845967.db2.gz OHDOGPGZKIJBHS-ZNMIVQPWSA-N 2 2 370.538 0.429 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369709 1224845971 /nfs/dbraw/zinc/84/59/71/1224845971.db2.gz OHDOGPGZKIJBHS-ZNMIVQPWSA-N 2 2 370.538 0.429 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565282 1204725317 /nfs/dbraw/zinc/72/53/17/1204725317.db2.gz JPXDLMUWASGRQH-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565282 1204725321 /nfs/dbraw/zinc/72/53/21/1204725321.db2.gz JPXDLMUWASGRQH-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565282 1204725324 /nfs/dbraw/zinc/72/53/24/1204725324.db2.gz JPXDLMUWASGRQH-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565282 1204725329 /nfs/dbraw/zinc/72/53/29/1204725329.db2.gz JPXDLMUWASGRQH-SUMDDJOVSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565652 1204726024 /nfs/dbraw/zinc/72/60/24/1204726024.db2.gz USQSWHCDBPCPDW-AYBZRNKSSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565652 1204726026 /nfs/dbraw/zinc/72/60/26/1204726026.db2.gz USQSWHCDBPCPDW-AYBZRNKSSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565652 1204726028 /nfs/dbraw/zinc/72/60/28/1204726028.db2.gz USQSWHCDBPCPDW-AYBZRNKSSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565652 1204726031 /nfs/dbraw/zinc/72/60/31/1204726031.db2.gz USQSWHCDBPCPDW-AYBZRNKSSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565447 1204726389 /nfs/dbraw/zinc/72/63/89/1204726389.db2.gz PMARSUZKHXXWKI-GJYPPUQNSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565447 1204726392 /nfs/dbraw/zinc/72/63/92/1204726392.db2.gz PMARSUZKHXXWKI-GJYPPUQNSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565447 1204726394 /nfs/dbraw/zinc/72/63/94/1204726394.db2.gz PMARSUZKHXXWKI-GJYPPUQNSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565447 1204726400 /nfs/dbraw/zinc/72/64/00/1204726400.db2.gz PMARSUZKHXXWKI-GJYPPUQNSA-N 2 2 362.474 0.902 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738383 1204837489 /nfs/dbraw/zinc/83/74/89/1204837489.db2.gz WCSBYMPEBQQYQM-OGWOLHLISA-N 2 2 369.473 0.870 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738383 1204837490 /nfs/dbraw/zinc/83/74/90/1204837490.db2.gz WCSBYMPEBQQYQM-OGWOLHLISA-N 2 2 369.473 0.870 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C(=O)NCC(F)F)c1 ZINC001273452884 1204849848 /nfs/dbraw/zinc/84/98/48/1204849848.db2.gz DUZSZWONCYBSFN-JHJVBQTASA-N 2 2 369.416 0.295 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C(=O)NCC(F)F)c1 ZINC001273452884 1204849849 /nfs/dbraw/zinc/84/98/49/1204849849.db2.gz DUZSZWONCYBSFN-JHJVBQTASA-N 2 2 369.416 0.295 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C(=O)NC(C)(C)C)c1 ZINC001273455706 1204861143 /nfs/dbraw/zinc/86/11/43/1204861143.db2.gz XICSUJDETKQVCL-RBSFLKMASA-N 2 2 361.490 0.829 20 0 FCADLP Cn1c[nH+]c([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C(=O)NC(C)(C)C)c1 ZINC001273455706 1204861144 /nfs/dbraw/zinc/86/11/44/1204861144.db2.gz XICSUJDETKQVCL-RBSFLKMASA-N 2 2 361.490 0.829 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2[NH2+]CCF)cn1 ZINC001086985117 1204879528 /nfs/dbraw/zinc/87/95/28/1204879528.db2.gz UYHYKXRURZFPOA-VNQPRFMTSA-N 2 2 360.437 0.733 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]Cc2ccnn2C)cn1 ZINC001087003957 1204891611 /nfs/dbraw/zinc/89/16/11/1204891611.db2.gz XWZCMIRTTZHXJQ-JKSUJKDBSA-N 2 2 368.445 0.204 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001087087958 1204976332 /nfs/dbraw/zinc/97/63/32/1204976332.db2.gz CPOYDXSEYZBJPY-GDBMZVCRSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001087098795 1204994248 /nfs/dbraw/zinc/99/42/48/1204994248.db2.gz NUXLQWHHMBHEMA-NVXWUHKLSA-N 2 2 360.462 0.647 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091795255 1205015680 /nfs/dbraw/zinc/01/56/80/1205015680.db2.gz PPFXZGVXOJZAEZ-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091795255 1205015683 /nfs/dbraw/zinc/01/56/83/1205015683.db2.gz PPFXZGVXOJZAEZ-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091798080 1205016768 /nfs/dbraw/zinc/01/67/68/1205016768.db2.gz HYZSVOIYUFTGFR-FCEWJHQRSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091798080 1205016770 /nfs/dbraw/zinc/01/67/70/1205016770.db2.gz HYZSVOIYUFTGFR-FCEWJHQRSA-N 2 2 369.473 0.518 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091799930 1205017909 /nfs/dbraw/zinc/01/79/09/1205017909.db2.gz HWKHVCGFKRIETC-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001091799930 1205017913 /nfs/dbraw/zinc/01/79/13/1205017913.db2.gz HWKHVCGFKRIETC-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CC(=O)NC1CC1)C2 ZINC001091800956 1205018170 /nfs/dbraw/zinc/01/81/70/1205018170.db2.gz VTJSYOIMGXLKMT-MDOVXXIYSA-N 2 2 371.485 0.504 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CC(=O)NC1CC1)C2 ZINC001091800956 1205018172 /nfs/dbraw/zinc/01/81/72/1205018172.db2.gz VTJSYOIMGXLKMT-MDOVXXIYSA-N 2 2 371.485 0.504 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952236 1205088671 /nfs/dbraw/zinc/08/86/71/1205088671.db2.gz FUVVXESLTCAPOM-HFTRVMKXSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952236 1205088677 /nfs/dbraw/zinc/08/86/77/1205088677.db2.gz FUVVXESLTCAPOM-HFTRVMKXSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952236 1205088682 /nfs/dbraw/zinc/08/86/82/1205088682.db2.gz FUVVXESLTCAPOM-HFTRVMKXSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952236 1205088689 /nfs/dbraw/zinc/08/86/89/1205088689.db2.gz FUVVXESLTCAPOM-HFTRVMKXSA-N 2 2 363.462 0.459 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092136448 1205178380 /nfs/dbraw/zinc/17/83/80/1205178380.db2.gz VWWFTNRYHXAOOM-IIMJZQEZSA-N 2 2 371.485 0.886 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+]([C@H]1CCN(C3CCC3)C1=O)C2 ZINC001092136448 1205178389 /nfs/dbraw/zinc/17/83/89/1205178389.db2.gz VWWFTNRYHXAOOM-IIMJZQEZSA-N 2 2 371.485 0.886 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242175 1205210332 /nfs/dbraw/zinc/21/03/32/1205210332.db2.gz GLRFHTCROIPCEQ-BEFAXECRSA-N 2 2 371.489 0.945 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242175 1205210334 /nfs/dbraw/zinc/21/03/34/1205210334.db2.gz GLRFHTCROIPCEQ-BEFAXECRSA-N 2 2 371.489 0.945 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273830 1205220869 /nfs/dbraw/zinc/22/08/69/1205220869.db2.gz SYKPWAGSHFOUEE-RKVPGOIHSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273830 1205220872 /nfs/dbraw/zinc/22/08/72/1205220872.db2.gz SYKPWAGSHFOUEE-RKVPGOIHSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273830 1205220876 /nfs/dbraw/zinc/22/08/76/1205220876.db2.gz SYKPWAGSHFOUEE-RKVPGOIHSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273830 1205220878 /nfs/dbraw/zinc/22/08/78/1205220878.db2.gz SYKPWAGSHFOUEE-RKVPGOIHSA-N 2 2 361.494 0.486 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092274482 1205221251 /nfs/dbraw/zinc/22/12/51/1205221251.db2.gz HRNGSFOANKOGOU-QAPCUYQASA-N 2 2 361.494 0.459 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092274482 1205221259 /nfs/dbraw/zinc/22/12/59/1205221259.db2.gz HRNGSFOANKOGOU-QAPCUYQASA-N 2 2 361.494 0.459 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276605 1205223807 /nfs/dbraw/zinc/22/38/07/1205223807.db2.gz WAXZRFXWTTXBGU-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276605 1205223812 /nfs/dbraw/zinc/22/38/12/1205223812.db2.gz WAXZRFXWTTXBGU-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001092305259 1205236793 /nfs/dbraw/zinc/23/67/93/1205236793.db2.gz IPGCVXIDPKTWSS-SCLBCKFNSA-N 2 2 357.462 0.600 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2c[nH+]cn2C)ncn1 ZINC001092314232 1205244195 /nfs/dbraw/zinc/24/41/95/1205244195.db2.gz BMNRDIQXKZXABX-HUUCEWRRSA-N 2 2 357.462 0.877 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001092438232 1205280407 /nfs/dbraw/zinc/28/04/07/1205280407.db2.gz SSXZHRZOKMJQGK-HUUCEWRRSA-N 2 2 360.506 0.605 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001092438232 1205280410 /nfs/dbraw/zinc/28/04/10/1205280410.db2.gz SSXZHRZOKMJQGK-HUUCEWRRSA-N 2 2 360.506 0.605 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092507398 1205297656 /nfs/dbraw/zinc/29/76/56/1205297656.db2.gz DOPWMNYZWCEMBV-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092507398 1205297660 /nfs/dbraw/zinc/29/76/60/1205297660.db2.gz DOPWMNYZWCEMBV-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092507398 1205297665 /nfs/dbraw/zinc/29/76/65/1205297665.db2.gz DOPWMNYZWCEMBV-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[NH+](Cc2nc(C3CC3)nn2C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092507398 1205297667 /nfs/dbraw/zinc/29/76/67/1205297667.db2.gz DOPWMNYZWCEMBV-FVQBIDKESA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092742619 1205350100 /nfs/dbraw/zinc/35/01/00/1205350100.db2.gz XOHAAUAGKRLOFS-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092742619 1205350102 /nfs/dbraw/zinc/35/01/02/1205350102.db2.gz XOHAAUAGKRLOFS-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001092747835 1205350913 /nfs/dbraw/zinc/35/09/13/1205350913.db2.gz HVXQXZUSQLPOFA-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001092747835 1205350914 /nfs/dbraw/zinc/35/09/14/1205350914.db2.gz HVXQXZUSQLPOFA-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001092908059 1205939757 /nfs/dbraw/zinc/93/97/57/1205939757.db2.gz TXQWWSLCXKTWPR-SNPRPXQTSA-N 2 2 357.462 0.931 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001092958117 1205956235 /nfs/dbraw/zinc/95/62/35/1205956235.db2.gz KCAOPWJSXLRNRT-NFAWXSAZSA-N 2 2 359.474 0.792 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001092958117 1205956238 /nfs/dbraw/zinc/95/62/38/1205956238.db2.gz KCAOPWJSXLRNRT-NFAWXSAZSA-N 2 2 359.474 0.792 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@@H]1O ZINC001220552149 1224925072 /nfs/dbraw/zinc/92/50/72/1224925072.db2.gz PTNUDWHGFMSGKU-IXXMMVOQSA-N 2 2 359.470 0.583 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@@H]1O ZINC001220552149 1224925074 /nfs/dbraw/zinc/92/50/74/1224925074.db2.gz PTNUDWHGFMSGKU-IXXMMVOQSA-N 2 2 359.470 0.583 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001220550387 1224923139 /nfs/dbraw/zinc/92/31/39/1224923139.db2.gz QASYVGQQZDPLMQ-SJORKVTESA-N 2 2 358.446 0.432 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001220550387 1224923145 /nfs/dbraw/zinc/92/31/45/1224923145.db2.gz QASYVGQQZDPLMQ-SJORKVTESA-N 2 2 358.446 0.432 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220550149 1224923330 /nfs/dbraw/zinc/92/33/30/1224923330.db2.gz KQEDLDJYMBEMHG-MSOLQXFVSA-N 2 2 364.490 0.950 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001220550149 1224923334 /nfs/dbraw/zinc/92/33/34/1224923334.db2.gz KQEDLDJYMBEMHG-MSOLQXFVSA-N 2 2 364.490 0.950 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137184 1206033550 /nfs/dbraw/zinc/03/35/50/1206033550.db2.gz ROVGJCWUPBEYLF-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001093137184 1206033554 /nfs/dbraw/zinc/03/35/54/1206033554.db2.gz ROVGJCWUPBEYLF-ZIAGYGMSSA-N 2 2 357.462 0.774 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213042 1206060865 /nfs/dbraw/zinc/06/08/65/1206060865.db2.gz TWFDTTOAGZWMLX-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213042 1206060869 /nfs/dbraw/zinc/06/08/69/1206060869.db2.gz TWFDTTOAGZWMLX-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093213042 1206060873 /nfs/dbraw/zinc/06/08/73/1206060873.db2.gz TWFDTTOAGZWMLX-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093213042 1206060876 /nfs/dbraw/zinc/06/08/76/1206060876.db2.gz TWFDTTOAGZWMLX-ZACQAIPSSA-N 2 2 363.506 0.808 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]Cc4cccnc4)nn3)C2)CC[N@@H+]1C ZINC001093321830 1206075401 /nfs/dbraw/zinc/07/54/01/1206075401.db2.gz CYOOOMZJFUPUSM-RDTXWAMCSA-N 2 2 369.473 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]Cc4cccnc4)nn3)C2)CC[N@H+]1C ZINC001093321830 1206075403 /nfs/dbraw/zinc/07/54/03/1206075403.db2.gz CYOOOMZJFUPUSM-RDTXWAMCSA-N 2 2 369.473 0.686 20 0 FCADLP CC(C)[C@H]1N(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093473196 1206087074 /nfs/dbraw/zinc/08/70/74/1206087074.db2.gz NFVCVEAOMLCSCG-UMHPPVOVSA-N 2 2 364.490 0.646 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691472 1206101130 /nfs/dbraw/zinc/10/11/30/1206101130.db2.gz XXXJYWPAUQMECB-UNEWFSDZSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691472 1206101136 /nfs/dbraw/zinc/10/11/36/1206101136.db2.gz XXXJYWPAUQMECB-UNEWFSDZSA-N 2 2 364.494 0.121 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001093742663 1206114662 /nfs/dbraw/zinc/11/46/62/1206114662.db2.gz HJPGZNUXOQFLHP-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093873890 1206138877 /nfs/dbraw/zinc/13/88/77/1206138877.db2.gz UMQNJLNXWLTAPA-QLFBSQMISA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093873077 1206139064 /nfs/dbraw/zinc/13/90/64/1206139064.db2.gz HPMVEFHALUONLP-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093914488 1206148032 /nfs/dbraw/zinc/14/80/32/1206148032.db2.gz WPVKVRDUCGBWAM-ZIAGYGMSSA-N 2 2 353.430 0.961 20 0 FCADLP CCCn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001093951515 1206157252 /nfs/dbraw/zinc/15/72/52/1206157252.db2.gz NREQQLVKWYUQSY-HUUCEWRRSA-N 2 2 360.466 0.554 20 0 FCADLP COc1ncc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c(C)n1 ZINC001094132987 1206190340 /nfs/dbraw/zinc/19/03/40/1206190340.db2.gz SAONECHBHAWWHY-IUODEOHRSA-N 2 2 358.446 0.944 20 0 FCADLP CC(C)n1nnnc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001094166185 1206197809 /nfs/dbraw/zinc/19/78/09/1206197809.db2.gz QREZYOUSUTWDCX-ZIAGYGMSSA-N 2 2 360.466 0.414 20 0 FCADLP Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001094224567 1206203529 /nfs/dbraw/zinc/20/35/29/1206203529.db2.gz RLXYWCVGCLQACE-IJEWVQPXSA-N 2 2 365.478 0.530 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094253932 1206211210 /nfs/dbraw/zinc/21/12/10/1206211210.db2.gz MKOXOXGSGMQXFB-HUUCEWRRSA-N 2 2 357.462 0.695 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094449939 1206228169 /nfs/dbraw/zinc/22/81/69/1206228169.db2.gz AMRYUZNZVSYNGD-ZSZQSSIHSA-N 2 2 359.474 0.552 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094449939 1206228172 /nfs/dbraw/zinc/22/81/72/1206228172.db2.gz AMRYUZNZVSYNGD-ZSZQSSIHSA-N 2 2 359.474 0.552 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2nccnc2C)C[C@@H]1O ZINC001220568200 1224936927 /nfs/dbraw/zinc/93/69/27/1224936927.db2.gz ADKKWIXARVMRNW-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2nccnc2C)C[C@@H]1O ZINC001220568200 1224936938 /nfs/dbraw/zinc/93/69/38/1224936938.db2.gz ADKKWIXARVMRNW-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001220568200 1224936945 /nfs/dbraw/zinc/93/69/45/1224936945.db2.gz ADKKWIXARVMRNW-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001220568200 1224936952 /nfs/dbraw/zinc/93/69/52/1224936952.db2.gz ADKKWIXARVMRNW-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001110159818 1206238272 /nfs/dbraw/zinc/23/82/72/1206238272.db2.gz XYKFBKDOBIPZCK-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001110159818 1206238273 /nfs/dbraw/zinc/23/82/73/1206238273.db2.gz XYKFBKDOBIPZCK-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110159818 1206238274 /nfs/dbraw/zinc/23/82/74/1206238274.db2.gz XYKFBKDOBIPZCK-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110159818 1206238275 /nfs/dbraw/zinc/23/82/75/1206238275.db2.gz XYKFBKDOBIPZCK-NCOADZHNSA-N 2 2 366.506 0.343 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnon2)CC3)C1 ZINC001094583339 1206241143 /nfs/dbraw/zinc/24/11/43/1206241143.db2.gz QZRINBCXHFAHQG-JFIYKMOQSA-N 2 2 363.462 0.651 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](Cc2cnon2)CC3)C1 ZINC001094583339 1206241147 /nfs/dbraw/zinc/24/11/47/1206241147.db2.gz QZRINBCXHFAHQG-JFIYKMOQSA-N 2 2 363.462 0.651 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnon2)CC3)C1 ZINC001094583339 1206241149 /nfs/dbraw/zinc/24/11/49/1206241149.db2.gz QZRINBCXHFAHQG-JFIYKMOQSA-N 2 2 363.462 0.651 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2cnon2)CC3)C1 ZINC001094583339 1206241153 /nfs/dbraw/zinc/24/11/53/1206241153.db2.gz QZRINBCXHFAHQG-JFIYKMOQSA-N 2 2 363.462 0.651 20 0 FCADLP COCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001171879293 1206253463 /nfs/dbraw/zinc/25/34/63/1206253463.db2.gz SDHGYHHEWPLDIP-KURKYZTESA-N 2 2 371.522 0.777 20 0 FCADLP CC[N@@H+]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C1 ZINC001173360663 1206269255 /nfs/dbraw/zinc/26/92/55/1206269255.db2.gz DLVSRZMXGVJQSW-INIZCTEOSA-N 2 2 371.489 0.499 20 0 FCADLP CC[N@H+]1CC[C@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)C1 ZINC001173360663 1206269259 /nfs/dbraw/zinc/26/92/59/1206269259.db2.gz DLVSRZMXGVJQSW-INIZCTEOSA-N 2 2 371.489 0.499 20 0 FCADLP CN(C)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)ccn1 ZINC001095265812 1206291115 /nfs/dbraw/zinc/29/11/15/1206291115.db2.gz QJIDXIGZBBRPFS-VSZNYVQBSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)ccn1 ZINC001095265812 1206291118 /nfs/dbraw/zinc/29/11/18/1206291118.db2.gz QJIDXIGZBBRPFS-VSZNYVQBSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)ccn1 ZINC001095265812 1206291119 /nfs/dbraw/zinc/29/11/19/1206291119.db2.gz QJIDXIGZBBRPFS-VSZNYVQBSA-N 2 2 373.501 0.700 20 0 FCADLP CN(C)c1cc(C[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)ccn1 ZINC001095265812 1206291123 /nfs/dbraw/zinc/29/11/23/1206291123.db2.gz QJIDXIGZBBRPFS-VSZNYVQBSA-N 2 2 373.501 0.700 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001176829231 1206321886 /nfs/dbraw/zinc/32/18/86/1206321886.db2.gz NSNFVRMYUNROHP-NJAFHUGGSA-N 2 2 369.473 0.945 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001176829231 1206321890 /nfs/dbraw/zinc/32/18/90/1206321890.db2.gz NSNFVRMYUNROHP-NJAFHUGGSA-N 2 2 369.473 0.945 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001178692731 1206362885 /nfs/dbraw/zinc/36/28/85/1206362885.db2.gz TXUMNLMEFPUOGX-FCEWJHQRSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001178692731 1206362889 /nfs/dbraw/zinc/36/28/89/1206362889.db2.gz TXUMNLMEFPUOGX-FCEWJHQRSA-N 2 2 367.490 0.726 20 0 FCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097308 1206374601 /nfs/dbraw/zinc/37/46/01/1206374601.db2.gz GGKFNFFBJBRDTA-KURKYZTESA-N 2 2 371.522 0.513 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@@H]3CCOC3)CC2)C1=O ZINC001180921924 1206401862 /nfs/dbraw/zinc/40/18/62/1206401862.db2.gz MHPKTRZBFPJPAN-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@@H]3CCOC3)CC2)C1=O ZINC001180921924 1206401863 /nfs/dbraw/zinc/40/18/63/1206401863.db2.gz MHPKTRZBFPJPAN-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182030432 1206418695 /nfs/dbraw/zinc/41/86/95/1206418695.db2.gz BBVCBOOZOWBBGG-UHFFFAOYSA-N 2 2 364.494 0.307 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001182030432 1206418699 /nfs/dbraw/zinc/41/86/99/1206418699.db2.gz BBVCBOOZOWBBGG-UHFFFAOYSA-N 2 2 364.494 0.307 20 0 FCADLP C[NH+]1CCC(O)(C(=O)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)CC1 ZINC001182030771 1206418940 /nfs/dbraw/zinc/41/89/40/1206418940.db2.gz HDNORZDIVUVRMK-UHFFFAOYSA-N 2 2 374.485 0.736 20 0 FCADLP O=CN1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000774236167 1206429292 /nfs/dbraw/zinc/42/92/92/1206429292.db2.gz JBVGMWXPJDQUKB-KRWDZBQOSA-N 2 2 374.489 0.492 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001184058444 1206464260 /nfs/dbraw/zinc/46/42/60/1206464260.db2.gz VPARPSJWECYPNQ-APWZRJJASA-N 2 2 369.506 0.973 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001184058447 1206464309 /nfs/dbraw/zinc/46/43/09/1206464309.db2.gz VPARPSJWECYPNQ-VQIMIIECSA-N 2 2 369.506 0.973 20 0 FCADLP CC[C@@](C)(O)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001184257706 1206467494 /nfs/dbraw/zinc/46/74/94/1206467494.db2.gz IKJYGTNUINGLRM-GOSISDBHSA-N 2 2 368.522 0.234 20 0 FCADLP CC[C@@](C)(O)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001184257706 1206467495 /nfs/dbraw/zinc/46/74/95/1206467495.db2.gz IKJYGTNUINGLRM-GOSISDBHSA-N 2 2 368.522 0.234 20 0 FCADLP CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001185749773 1206485675 /nfs/dbraw/zinc/48/56/75/1206485675.db2.gz MOAOCKMPDXZVJT-FVQBIDKESA-N 2 2 359.474 0.725 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205286 1207433769 /nfs/dbraw/zinc/43/37/69/1207433769.db2.gz JMQFLLMQDYYKPJ-ARFHVFGLSA-N 2 2 359.474 0.772 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205286 1207433772 /nfs/dbraw/zinc/43/37/72/1207433772.db2.gz JMQFLLMQDYYKPJ-ARFHVFGLSA-N 2 2 359.474 0.772 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)C2 ZINC001188383661 1207448729 /nfs/dbraw/zinc/44/87/29/1207448729.db2.gz UXTWBGBYWJTDLW-RVKKMQEKSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001188383661 1207448731 /nfs/dbraw/zinc/44/87/31/1207448731.db2.gz UXTWBGBYWJTDLW-RVKKMQEKSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001188383661 1207448735 /nfs/dbraw/zinc/44/87/35/1207448735.db2.gz UXTWBGBYWJTDLW-RVKKMQEKSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001188383661 1207448737 /nfs/dbraw/zinc/44/87/37/1207448737.db2.gz UXTWBGBYWJTDLW-RVKKMQEKSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188568256 1207464572 /nfs/dbraw/zinc/46/45/72/1207464572.db2.gz HZJATLFSOMVNQM-DLBZAZTESA-N 2 2 359.474 0.641 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001188568256 1207464576 /nfs/dbraw/zinc/46/45/76/1207464576.db2.gz HZJATLFSOMVNQM-DLBZAZTESA-N 2 2 359.474 0.641 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818288 1207483668 /nfs/dbraw/zinc/48/36/68/1207483668.db2.gz BWJFBSVCXKJWMU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818288 1207483671 /nfs/dbraw/zinc/48/36/71/1207483671.db2.gz BWJFBSVCXKJWMU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818288 1207483675 /nfs/dbraw/zinc/48/36/75/1207483675.db2.gz BWJFBSVCXKJWMU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818288 1207483677 /nfs/dbraw/zinc/48/36/77/1207483677.db2.gz BWJFBSVCXKJWMU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188950157 1207491759 /nfs/dbraw/zinc/49/17/59/1207491759.db2.gz YNZDIXBSCVUPFU-YQQAZPJKSA-N 2 2 359.474 0.423 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188950157 1207491763 /nfs/dbraw/zinc/49/17/63/1207491763.db2.gz YNZDIXBSCVUPFU-YQQAZPJKSA-N 2 2 359.474 0.423 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@H]32)C1 ZINC001189151378 1207513214 /nfs/dbraw/zinc/51/32/14/1207513214.db2.gz HEYWIYKYKRTVRV-DLBZAZTESA-N 2 2 362.518 0.777 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NCC4CC4)C[C@H]32)C1 ZINC001189151378 1207513220 /nfs/dbraw/zinc/51/32/20/1207513220.db2.gz HEYWIYKYKRTVRV-DLBZAZTESA-N 2 2 362.518 0.777 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC4CC4)C[C@H]32)C1 ZINC001189151378 1207513226 /nfs/dbraw/zinc/51/32/26/1207513226.db2.gz HEYWIYKYKRTVRV-DLBZAZTESA-N 2 2 362.518 0.777 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC4CC4)C[C@H]32)C1 ZINC001189151378 1207513230 /nfs/dbraw/zinc/51/32/30/1207513230.db2.gz HEYWIYKYKRTVRV-DLBZAZTESA-N 2 2 362.518 0.777 20 0 FCADLP CCOC(=O)C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1cccc(O)c1 ZINC001220667926 1225002063 /nfs/dbraw/zinc/00/20/63/1225002063.db2.gz HHWXUGNBLHIZEW-HOTGVXAUSA-N 2 2 360.414 0.806 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424876 1207547146 /nfs/dbraw/zinc/54/71/46/1207547146.db2.gz GBQMSGKAAUOYJH-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424876 1207547150 /nfs/dbraw/zinc/54/71/50/1207547150.db2.gz GBQMSGKAAUOYJH-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001189454227 1207557138 /nfs/dbraw/zinc/55/71/38/1207557138.db2.gz VEBMFSYQHYUGNZ-LSDHHAIUSA-N 2 2 367.494 0.226 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001189454227 1207557143 /nfs/dbraw/zinc/55/71/43/1207557143.db2.gz VEBMFSYQHYUGNZ-LSDHHAIUSA-N 2 2 367.494 0.226 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001189454227 1207557146 /nfs/dbraw/zinc/55/71/46/1207557146.db2.gz VEBMFSYQHYUGNZ-LSDHHAIUSA-N 2 2 367.494 0.226 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189484474 1207564473 /nfs/dbraw/zinc/56/44/73/1207564473.db2.gz IKQRZBBHLGHDCG-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCOC3)C[C@H]21 ZINC001189484474 1207564483 /nfs/dbraw/zinc/56/44/83/1207564483.db2.gz IKQRZBBHLGHDCG-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001189762540 1207595524 /nfs/dbraw/zinc/59/55/24/1207595524.db2.gz BNBPMRYOSAZZAL-MAUKXSAKSA-N 2 2 371.441 0.423 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189762540 1207595530 /nfs/dbraw/zinc/59/55/30/1207595530.db2.gz BNBPMRYOSAZZAL-MAUKXSAKSA-N 2 2 371.441 0.423 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687161 1225012959 /nfs/dbraw/zinc/01/29/59/1225012959.db2.gz HLNCPQWWXFMFSC-WMZOPIPTSA-N 2 2 369.469 0.845 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687160 1225013803 /nfs/dbraw/zinc/01/38/03/1225013803.db2.gz HLNCPQWWXFMFSC-AEFFLSMTSA-N 2 2 369.469 0.845 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689243 1225014485 /nfs/dbraw/zinc/01/44/85/1225014485.db2.gz BGEPXLDJTUGMNS-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689243 1225014494 /nfs/dbraw/zinc/01/44/94/1225014494.db2.gz BGEPXLDJTUGMNS-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689243 1225014503 /nfs/dbraw/zinc/01/45/03/1225014503.db2.gz BGEPXLDJTUGMNS-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1O ZINC001220689243 1225014513 /nfs/dbraw/zinc/01/45/13/1225014513.db2.gz BGEPXLDJTUGMNS-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775419066 1207733018 /nfs/dbraw/zinc/73/30/18/1207733018.db2.gz MJLBEEKMJHNGER-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775419066 1207733025 /nfs/dbraw/zinc/73/30/25/1207733025.db2.gz MJLBEEKMJHNGER-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775419066 1207733031 /nfs/dbraw/zinc/73/30/31/1207733031.db2.gz MJLBEEKMJHNGER-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775419066 1207733040 /nfs/dbraw/zinc/73/30/40/1207733040.db2.gz MJLBEEKMJHNGER-HUUCEWRRSA-N 2 2 369.510 0.931 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001192581030 1207838465 /nfs/dbraw/zinc/83/84/65/1207838465.db2.gz QYVBPQGUFKNFMN-HZPDHXFCSA-N 2 2 362.405 0.722 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001192581030 1207838466 /nfs/dbraw/zinc/83/84/66/1207838466.db2.gz QYVBPQGUFKNFMN-HZPDHXFCSA-N 2 2 362.405 0.722 20 0 FCADLP CCC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756904 1207890175 /nfs/dbraw/zinc/89/01/75/1207890175.db2.gz VIDPCEIMROTCBD-LJZRZTQLSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C\CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756904 1207890177 /nfs/dbraw/zinc/89/01/77/1207890177.db2.gz VIDPCEIMROTCBD-LJZRZTQLSA-N 2 2 363.506 0.721 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805279 1207891646 /nfs/dbraw/zinc/89/16/46/1207891646.db2.gz KOTNMMDVMDFHDF-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805279 1207891648 /nfs/dbraw/zinc/89/16/48/1207891648.db2.gz KOTNMMDVMDFHDF-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805279 1207891651 /nfs/dbraw/zinc/89/16/51/1207891651.db2.gz KOTNMMDVMDFHDF-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805279 1207891652 /nfs/dbraw/zinc/89/16/52/1207891652.db2.gz KOTNMMDVMDFHDF-DJIMGWMZSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191679 1207922497 /nfs/dbraw/zinc/92/24/97/1207922497.db2.gz NKZTXAHKZFDWQL-KBAYOESNSA-N 2 2 364.490 0.670 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001194191679 1207922500 /nfs/dbraw/zinc/92/25/00/1207922500.db2.gz NKZTXAHKZFDWQL-KBAYOESNSA-N 2 2 364.490 0.670 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290406 1207935504 /nfs/dbraw/zinc/93/55/04/1207935504.db2.gz VVZMFLQHXTXVLG-IAGOWNOFSA-N 2 2 358.446 0.003 20 0 FCADLP CN(CCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290406 1207935507 /nfs/dbraw/zinc/93/55/07/1207935507.db2.gz VVZMFLQHXTXVLG-IAGOWNOFSA-N 2 2 358.446 0.003 20 0 FCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001273676995 1207945317 /nfs/dbraw/zinc/94/53/17/1207945317.db2.gz OKZQJOBGCJATDH-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001273676995 1207945320 /nfs/dbraw/zinc/94/53/20/1207945320.db2.gz OKZQJOBGCJATDH-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001273676995 1207945324 /nfs/dbraw/zinc/94/53/24/1207945324.db2.gz OKZQJOBGCJATDH-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001273676995 1207945330 /nfs/dbraw/zinc/94/53/30/1207945330.db2.gz OKZQJOBGCJATDH-OTWHNJEPSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)NCC[NH+]3CC4(COC4)C3)c(F)c2)CC1 ZINC001194551139 1207961287 /nfs/dbraw/zinc/96/12/87/1207961287.db2.gz FNZKIAWGNVTVAS-UHFFFAOYSA-N 2 2 362.449 0.640 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CC1 ZINC001194729400 1207971850 /nfs/dbraw/zinc/97/18/50/1207971850.db2.gz WXFDUEMBIAQCGY-IAGOWNOFSA-N 2 2 371.441 0.120 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)C1CC1 ZINC001194729400 1207971851 /nfs/dbraw/zinc/97/18/51/1207971851.db2.gz WXFDUEMBIAQCGY-IAGOWNOFSA-N 2 2 371.441 0.120 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982685 1207986509 /nfs/dbraw/zinc/98/65/09/1207986509.db2.gz PQFGUBJJBOLAMW-HZPDHXFCSA-N 2 2 368.522 0.138 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982685 1207986511 /nfs/dbraw/zinc/98/65/11/1207986511.db2.gz PQFGUBJJBOLAMW-HZPDHXFCSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001195037645 1207990538 /nfs/dbraw/zinc/99/05/38/1207990538.db2.gz MUVMGSSZPIEIJU-BMGDILEWSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001195037645 1207990540 /nfs/dbraw/zinc/99/05/40/1207990540.db2.gz MUVMGSSZPIEIJU-BMGDILEWSA-N 2 2 358.442 0.808 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001195128385 1208000520 /nfs/dbraw/zinc/00/05/20/1208000520.db2.gz IANMJDUEHKIEDX-GVDBMIGSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1O ZINC001195128385 1208000522 /nfs/dbraw/zinc/00/05/22/1208000522.db2.gz IANMJDUEHKIEDX-GVDBMIGSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1O ZINC001195149454 1208004929 /nfs/dbraw/zinc/00/49/29/1208004929.db2.gz NWVBXOLRXDWQGJ-QZTJIDSGSA-N 2 2 358.442 0.651 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001195149454 1208004933 /nfs/dbraw/zinc/00/49/33/1208004933.db2.gz NWVBXOLRXDWQGJ-QZTJIDSGSA-N 2 2 358.442 0.651 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676362 1208032390 /nfs/dbraw/zinc/03/23/90/1208032390.db2.gz CMLXNRXAGHHLEY-HZPDHXFCSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676362 1208032392 /nfs/dbraw/zinc/03/23/92/1208032392.db2.gz CMLXNRXAGHHLEY-HZPDHXFCSA-N 2 2 365.449 0.837 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196114906 1208058647 /nfs/dbraw/zinc/05/86/47/1208058647.db2.gz GLHOABNGOAOADK-IXDOHACOSA-N 2 2 368.522 0.137 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1O)[NH+](CC)CC ZINC001196114906 1208058650 /nfs/dbraw/zinc/05/86/50/1208058650.db2.gz GLHOABNGOAOADK-IXDOHACOSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222212 1208067379 /nfs/dbraw/zinc/06/73/79/1208067379.db2.gz JWERTXWJEOJOGD-BZUAXINKSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222212 1208067382 /nfs/dbraw/zinc/06/73/82/1208067382.db2.gz JWERTXWJEOJOGD-BZUAXINKSA-N 2 2 370.538 0.286 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222212 1208067385 /nfs/dbraw/zinc/06/73/85/1208067385.db2.gz JWERTXWJEOJOGD-BZUAXINKSA-N 2 2 370.538 0.286 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196459852 1208085840 /nfs/dbraw/zinc/08/58/40/1208085840.db2.gz DOKMGOUIXRVSOL-IAOVAPTHSA-N 2 2 371.441 0.295 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196459852 1208085844 /nfs/dbraw/zinc/08/58/44/1208085844.db2.gz DOKMGOUIXRVSOL-IAOVAPTHSA-N 2 2 371.441 0.295 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197049229 1208130694 /nfs/dbraw/zinc/13/06/94/1208130694.db2.gz LDQLWEIWWRZIDH-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@H]1O ZINC001197049229 1208130699 /nfs/dbraw/zinc/13/06/99/1208130699.db2.gz LDQLWEIWWRZIDH-BRWVUGGUSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1O)C(C)C ZINC001197026085 1208133104 /nfs/dbraw/zinc/13/31/04/1208133104.db2.gz ZFKOASFKVYLEKV-JFIYKMOQSA-N 2 2 370.538 0.381 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1O)C(C)C ZINC001197026085 1208133108 /nfs/dbraw/zinc/13/31/08/1208133108.db2.gz ZFKOASFKVYLEKV-JFIYKMOQSA-N 2 2 370.538 0.381 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1cc(C)n(-c2cc[nH+]cc2)n1 ZINC001197545738 1208174355 /nfs/dbraw/zinc/17/43/55/1208174355.db2.gz TUAOOPFCECMIML-INIZCTEOSA-N 2 2 368.397 0.823 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001197688896 1208185911 /nfs/dbraw/zinc/18/59/11/1208185911.db2.gz BMXJPSULHFVJBN-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1O ZINC001197688896 1208185913 /nfs/dbraw/zinc/18/59/13/1208185913.db2.gz BMXJPSULHFVJBN-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197793024 1208197433 /nfs/dbraw/zinc/19/74/33/1208197433.db2.gz WJUATVFTILEVIC-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197793024 1208197435 /nfs/dbraw/zinc/19/74/35/1208197435.db2.gz WJUATVFTILEVIC-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197793024 1208197437 /nfs/dbraw/zinc/19/74/37/1208197437.db2.gz WJUATVFTILEVIC-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197793024 1208197439 /nfs/dbraw/zinc/19/74/39/1208197439.db2.gz WJUATVFTILEVIC-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926110 1208206292 /nfs/dbraw/zinc/20/62/92/1208206292.db2.gz DMDUFSHNOSSWMN-DJIMGWMZSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926110 1208206293 /nfs/dbraw/zinc/20/62/93/1208206293.db2.gz DMDUFSHNOSSWMN-DJIMGWMZSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198004023 1208211129 /nfs/dbraw/zinc/21/11/29/1208211129.db2.gz RAECIVYYSWNMDS-IAGOWNOFSA-N 2 2 370.538 0.525 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198004023 1208211133 /nfs/dbraw/zinc/21/11/33/1208211133.db2.gz RAECIVYYSWNMDS-IAGOWNOFSA-N 2 2 370.538 0.525 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198004023 1208211135 /nfs/dbraw/zinc/21/11/35/1208211135.db2.gz RAECIVYYSWNMDS-IAGOWNOFSA-N 2 2 370.538 0.525 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198004023 1208211138 /nfs/dbraw/zinc/21/11/38/1208211138.db2.gz RAECIVYYSWNMDS-IAGOWNOFSA-N 2 2 370.538 0.525 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCN(C(N)=O)CC2)cc1 ZINC001198018648 1208211479 /nfs/dbraw/zinc/21/14/79/1208211479.db2.gz JRIZOEYGUWPKLP-UHFFFAOYSA-N 2 2 361.490 0.907 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCN(C(N)=O)CC2)cc1 ZINC001198018648 1208211482 /nfs/dbraw/zinc/21/14/82/1208211482.db2.gz JRIZOEYGUWPKLP-UHFFFAOYSA-N 2 2 361.490 0.907 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC001198017545 1208211552 /nfs/dbraw/zinc/21/15/52/1208211552.db2.gz ABJGXFIMPOXLEG-QGZVFWFLSA-N 2 2 362.474 0.396 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC001198017545 1208211555 /nfs/dbraw/zinc/21/15/55/1208211555.db2.gz ABJGXFIMPOXLEG-QGZVFWFLSA-N 2 2 362.474 0.396 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2CC)C[C@H]1O ZINC001198046421 1208213614 /nfs/dbraw/zinc/21/36/14/1208213614.db2.gz CWFSSPGDDCABJU-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC[C@@H]2CC)C[C@H]1O ZINC001198046421 1208213618 /nfs/dbraw/zinc/21/36/18/1208213618.db2.gz CWFSSPGDDCABJU-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2CC)C[C@H]1O ZINC001198046421 1208213622 /nfs/dbraw/zinc/21/36/22/1208213622.db2.gz CWFSSPGDDCABJU-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2CC)C[C@H]1O ZINC001198046421 1208213625 /nfs/dbraw/zinc/21/36/25/1208213625.db2.gz CWFSSPGDDCABJU-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198038207 1208215936 /nfs/dbraw/zinc/21/59/36/1208215936.db2.gz KLJCMRMYDJVHPD-QZTJIDSGSA-N 2 2 367.465 0.711 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198038207 1208215938 /nfs/dbraw/zinc/21/59/38/1208215938.db2.gz KLJCMRMYDJVHPD-QZTJIDSGSA-N 2 2 367.465 0.711 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198038207 1208215940 /nfs/dbraw/zinc/21/59/40/1208215940.db2.gz KLJCMRMYDJVHPD-QZTJIDSGSA-N 2 2 367.465 0.711 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1O ZINC001198038207 1208215941 /nfs/dbraw/zinc/21/59/41/1208215941.db2.gz KLJCMRMYDJVHPD-QZTJIDSGSA-N 2 2 367.465 0.711 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC001110511651 1208261471 /nfs/dbraw/zinc/26/14/71/1208261471.db2.gz NJCJVVQFYZQMDL-BARDWOONSA-N 2 2 355.446 0.843 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCc2ncnn21 ZINC001110511651 1208261476 /nfs/dbraw/zinc/26/14/76/1208261476.db2.gz NJCJVVQFYZQMDL-BARDWOONSA-N 2 2 355.446 0.843 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690561 1208278251 /nfs/dbraw/zinc/27/82/51/1208278251.db2.gz YUKIWBNARBJVKC-KBAYOESNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001198690561 1208278255 /nfs/dbraw/zinc/27/82/55/1208278255.db2.gz YUKIWBNARBJVKC-KBAYOESNSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001198672919 1208281663 /nfs/dbraw/zinc/28/16/63/1208281663.db2.gz UAYCWLCVZCFTMG-QZTJIDSGSA-N 2 2 358.442 0.570 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cn1 ZINC001198729341 1208284337 /nfs/dbraw/zinc/28/43/37/1208284337.db2.gz KJOHHVSNSZVQSQ-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cn1 ZINC001198729341 1208284340 /nfs/dbraw/zinc/28/43/40/1208284340.db2.gz KJOHHVSNSZVQSQ-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119489 1208322591 /nfs/dbraw/zinc/32/25/91/1208322591.db2.gz HGSIZKAWGHRNRH-JFIYKMOQSA-N 2 2 358.442 0.947 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119489 1208322592 /nfs/dbraw/zinc/32/25/92/1208322592.db2.gz HGSIZKAWGHRNRH-JFIYKMOQSA-N 2 2 358.442 0.947 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119495 1208322922 /nfs/dbraw/zinc/32/29/22/1208322922.db2.gz HIGDSXVYLZLVGA-QRVBRYPASA-N 2 2 371.485 0.427 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119495 1208322925 /nfs/dbraw/zinc/32/29/25/1208322925.db2.gz HIGDSXVYLZLVGA-QRVBRYPASA-N 2 2 371.485 0.427 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001199397803 1208343741 /nfs/dbraw/zinc/34/37/41/1208343741.db2.gz CEFZXCGFNQQLAW-KZNAEPCWSA-N 2 2 358.442 0.558 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1O ZINC001199397803 1208343744 /nfs/dbraw/zinc/34/37/44/1208343744.db2.gz CEFZXCGFNQQLAW-KZNAEPCWSA-N 2 2 358.442 0.558 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220769038 1225063403 /nfs/dbraw/zinc/06/34/03/1225063403.db2.gz HDRULSNFVPOJIM-QIIPPGSGSA-N 2 2 364.446 0.169 20 0 FCADLP CC(C)c1cccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768373 1225063669 /nfs/dbraw/zinc/06/36/69/1225063669.db2.gz JDLHABGERAZOOJ-MSOLQXFVSA-N 2 2 364.490 0.445 20 0 FCADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)n1 ZINC001220768373 1225063679 /nfs/dbraw/zinc/06/36/79/1225063679.db2.gz JDLHABGERAZOOJ-MSOLQXFVSA-N 2 2 364.490 0.445 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489201296 1208663006 /nfs/dbraw/zinc/66/30/06/1208663006.db2.gz RDPNJGDKBXVFMI-CVEARBPZSA-N 2 2 359.474 0.601 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001489201296 1208663011 /nfs/dbraw/zinc/66/30/11/1208663011.db2.gz RDPNJGDKBXVFMI-CVEARBPZSA-N 2 2 359.474 0.601 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821619 1225087733 /nfs/dbraw/zinc/08/77/33/1225087733.db2.gz CCEWVBSNUJQVCC-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821619 1225087742 /nfs/dbraw/zinc/08/77/42/1225087742.db2.gz CCEWVBSNUJQVCC-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821619 1225087747 /nfs/dbraw/zinc/08/77/47/1225087747.db2.gz CCEWVBSNUJQVCC-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220821619 1225087755 /nfs/dbraw/zinc/08/77/55/1225087755.db2.gz CCEWVBSNUJQVCC-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001220826096 1225090913 /nfs/dbraw/zinc/09/09/13/1225090913.db2.gz MJEIZAHPNZKCQZ-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001220826096 1225090923 /nfs/dbraw/zinc/09/09/23/1225090923.db2.gz MJEIZAHPNZKCQZ-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001220826096 1225090932 /nfs/dbraw/zinc/09/09/32/1225090932.db2.gz MJEIZAHPNZKCQZ-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1O ZINC001220826096 1225090941 /nfs/dbraw/zinc/09/09/41/1225090941.db2.gz MJEIZAHPNZKCQZ-ZACQAIPSSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822380 1225089817 /nfs/dbraw/zinc/08/98/17/1225089817.db2.gz WEDRDMSYZAXFBW-ZACQAIPSSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822380 1225089824 /nfs/dbraw/zinc/08/98/24/1225089824.db2.gz WEDRDMSYZAXFBW-ZACQAIPSSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822380 1225089833 /nfs/dbraw/zinc/08/98/33/1225089833.db2.gz WEDRDMSYZAXFBW-ZACQAIPSSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220822380 1225089840 /nfs/dbraw/zinc/08/98/40/1225089840.db2.gz WEDRDMSYZAXFBW-ZACQAIPSSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001489608018 1208963584 /nfs/dbraw/zinc/96/35/84/1208963584.db2.gz SRGZRIRHCXMUTG-IMJJTQAJSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001489608018 1208963586 /nfs/dbraw/zinc/96/35/86/1208963586.db2.gz SRGZRIRHCXMUTG-IMJJTQAJSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001489608018 1208963588 /nfs/dbraw/zinc/96/35/88/1208963588.db2.gz SRGZRIRHCXMUTG-IMJJTQAJSA-N 2 2 365.478 0.008 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001489608018 1208963591 /nfs/dbraw/zinc/96/35/91/1208963591.db2.gz SRGZRIRHCXMUTG-IMJJTQAJSA-N 2 2 365.478 0.008 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001489660363 1209075596 /nfs/dbraw/zinc/07/55/96/1209075596.db2.gz ONISCIOTFZJINX-NVXWUHKLSA-N 2 2 370.457 0.997 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220882546 1225122207 /nfs/dbraw/zinc/12/22/07/1225122207.db2.gz YZFSJQKXBXEYAD-MJGOQNOKSA-N 2 2 371.485 0.780 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220882546 1225122213 /nfs/dbraw/zinc/12/22/13/1225122213.db2.gz YZFSJQKXBXEYAD-MJGOQNOKSA-N 2 2 371.485 0.780 20 0 FCADLP O=C(NCC1CCN(C(=O)c2cccnc2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220928400 1225145702 /nfs/dbraw/zinc/14/57/02/1225145702.db2.gz OGHJJFWWWFBXRD-VQIMIIECSA-N 2 2 357.458 0.002 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664993 1209591555 /nfs/dbraw/zinc/59/15/55/1209591555.db2.gz HEOUBBYERXRXKZ-SYQHCUMBSA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664993 1209591559 /nfs/dbraw/zinc/59/15/59/1209591559.db2.gz HEOUBBYERXRXKZ-SYQHCUMBSA-N 2 2 365.478 0.036 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673514 1209607579 /nfs/dbraw/zinc/60/75/79/1209607579.db2.gz DOVGOTVUGWZASX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673514 1209607586 /nfs/dbraw/zinc/60/75/86/1209607586.db2.gz DOVGOTVUGWZASX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673514 1209607590 /nfs/dbraw/zinc/60/75/90/1209607590.db2.gz DOVGOTVUGWZASX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673514 1209607596 /nfs/dbraw/zinc/60/75/96/1209607596.db2.gz DOVGOTVUGWZASX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(=O)n(C)cn3)CC2)CC1 ZINC000888499570 1209713163 /nfs/dbraw/zinc/71/31/63/1209713163.db2.gz PCQZXAQSQBWHMG-UHFFFAOYSA-N 2 2 362.478 0.804 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(=O)n(C)cn3)CC2)CC1 ZINC000888499570 1209713166 /nfs/dbraw/zinc/71/31/66/1209713166.db2.gz PCQZXAQSQBWHMG-UHFFFAOYSA-N 2 2 362.478 0.804 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1)[NH+](C)C ZINC001110715131 1209732675 /nfs/dbraw/zinc/73/26/75/1209732675.db2.gz QDRKWYXJNUCLLC-FPCVCCKLSA-N 2 2 372.473 0.584 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1)[NH+](C)C ZINC001110715131 1209732680 /nfs/dbraw/zinc/73/26/80/1209732680.db2.gz QDRKWYXJNUCLLC-FPCVCCKLSA-N 2 2 372.473 0.584 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110738613 1209767820 /nfs/dbraw/zinc/76/78/20/1209767820.db2.gz KDOQXMCIRRRALV-DGAVXFQQSA-N 2 2 367.494 0.282 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110738613 1209767827 /nfs/dbraw/zinc/76/78/27/1209767827.db2.gz KDOQXMCIRRRALV-DGAVXFQQSA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110738613 1209767833 /nfs/dbraw/zinc/76/78/33/1209767833.db2.gz KDOQXMCIRRRALV-DGAVXFQQSA-N 2 2 367.494 0.282 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC ZINC001110738613 1209767836 /nfs/dbraw/zinc/76/78/36/1209767836.db2.gz KDOQXMCIRRRALV-DGAVXFQQSA-N 2 2 367.494 0.282 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740860 1209777340 /nfs/dbraw/zinc/77/73/40/1209777340.db2.gz HBJLGTWQHKFLGJ-IDCNUPLLSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740860 1209777342 /nfs/dbraw/zinc/77/73/42/1209777342.db2.gz HBJLGTWQHKFLGJ-IDCNUPLLSA-N 2 2 362.474 0.830 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275620 1209908337 /nfs/dbraw/zinc/90/83/37/1209908337.db2.gz WQLJSZYSHFMMME-LSDHHAIUSA-N 2 2 370.494 0.374 20 0 FCADLP COc1ccnc(C2(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CCOCC2)c1 ZINC001220990437 1225177663 /nfs/dbraw/zinc/17/76/63/1225177663.db2.gz MBBBIZXBWDFDCL-INIZCTEOSA-N 2 2 373.457 0.558 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000866633550 1210000195 /nfs/dbraw/zinc/00/01/95/1210000195.db2.gz JMMJJQDMGAKNGG-WSGSOLELSA-N 2 2 359.470 0.410 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000866633550 1210000199 /nfs/dbraw/zinc/00/01/99/1210000199.db2.gz JMMJJQDMGAKNGG-WSGSOLELSA-N 2 2 359.470 0.410 20 0 FCADLP C[C@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000868286539 1210049527 /nfs/dbraw/zinc/04/95/27/1210049527.db2.gz OKAGALMIVOGERR-IRXDYDNUSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000868304917 1210051323 /nfs/dbraw/zinc/05/13/23/1210051323.db2.gz YEJFAFPDJDBYGA-DZKIICNBSA-N 2 2 360.458 0.872 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994319 1225179135 /nfs/dbraw/zinc/17/91/35/1225179135.db2.gz LMUSRQZARZVRBS-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994319 1225179139 /nfs/dbraw/zinc/17/91/39/1225179139.db2.gz LMUSRQZARZVRBS-MSOLQXFVSA-N 2 2 361.490 0.712 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994179 1225179162 /nfs/dbraw/zinc/17/91/62/1225179162.db2.gz FJHYEBXZYCVILG-UAGQMJEPSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994179 1225179164 /nfs/dbraw/zinc/17/91/64/1225179164.db2.gz FJHYEBXZYCVILG-UAGQMJEPSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)CC1=O ZINC000870081436 1210108454 /nfs/dbraw/zinc/10/84/54/1210108454.db2.gz GYEUKOFWJZXJHG-WBVHZDCISA-N 2 2 360.458 0.275 20 0 FCADLP O=C(CC[NH2+]CC1CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000870876760 1210121021 /nfs/dbraw/zinc/12/10/21/1210121021.db2.gz XYMBKNCPJZRAGV-UHFFFAOYSA-N 2 2 359.474 0.626 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)c1 ZINC000870978446 1210124540 /nfs/dbraw/zinc/12/45/40/1210124540.db2.gz VFDJXEOJKMKVTL-INIZCTEOSA-N 2 2 369.469 0.995 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)c1 ZINC000870978446 1210124542 /nfs/dbraw/zinc/12/45/42/1210124542.db2.gz VFDJXEOJKMKVTL-INIZCTEOSA-N 2 2 369.469 0.995 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873290420 1210241179 /nfs/dbraw/zinc/24/11/79/1210241179.db2.gz DJKHTLDGIMKWRF-IBGZPJMESA-N 3 2 366.550 0.531 20 0 FCADLP C(C[NH+]1CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCOCC1 ZINC000873290420 1210241188 /nfs/dbraw/zinc/24/11/88/1210241188.db2.gz DJKHTLDGIMKWRF-IBGZPJMESA-N 3 2 366.550 0.531 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2O)c1 ZINC001221062368 1225203993 /nfs/dbraw/zinc/20/39/93/1225203993.db2.gz PGZJDWSAZSHWMZ-CVEARBPZSA-N 2 2 371.428 0.805 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2O)c1 ZINC001221062368 1225204003 /nfs/dbraw/zinc/20/40/03/1225204003.db2.gz PGZJDWSAZSHWMZ-CVEARBPZSA-N 2 2 371.428 0.805 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703783 1210318672 /nfs/dbraw/zinc/31/86/72/1210318672.db2.gz XUCHWZJXDXYJNM-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874703783 1210318674 /nfs/dbraw/zinc/31/86/74/1210318674.db2.gz XUCHWZJXDXYJNM-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874703783 1210318676 /nfs/dbraw/zinc/31/86/76/1210318676.db2.gz XUCHWZJXDXYJNM-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000874703783 1210318680 /nfs/dbraw/zinc/31/86/80/1210318680.db2.gz XUCHWZJXDXYJNM-AZUAARDMSA-N 2 2 361.486 0.850 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000875193427 1210348799 /nfs/dbraw/zinc/34/87/99/1210348799.db2.gz AOSZNBPEEJFBQE-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000875193427 1210348802 /nfs/dbraw/zinc/34/88/02/1210348802.db2.gz AOSZNBPEEJFBQE-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP O=C(CCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000877278633 1210442104 /nfs/dbraw/zinc/44/21/04/1210442104.db2.gz VIPSKBUABYZHTI-SJORKVTESA-N 2 2 371.485 0.863 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785954 1210466258 /nfs/dbraw/zinc/46/62/58/1210466258.db2.gz XLWHSPYFSLDLQV-RDJZCZTQSA-N 2 2 362.474 0.741 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)ccn1 ZINC000878785954 1210466262 /nfs/dbraw/zinc/46/62/62/1210466262.db2.gz XLWHSPYFSLDLQV-RDJZCZTQSA-N 2 2 362.474 0.741 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC000878807453 1210466318 /nfs/dbraw/zinc/46/63/18/1210466318.db2.gz BRQPENVKOLVPMC-UHFFFAOYSA-N 2 2 363.510 0.688 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccc(-c2ncccn2)cc1 ZINC001221082439 1225214691 /nfs/dbraw/zinc/21/46/91/1225214691.db2.gz UBRSYBIIZJJNPZ-QGZVFWFLSA-N 2 2 354.458 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096131 1225221289 /nfs/dbraw/zinc/22/12/89/1225221289.db2.gz NCGFTFHFCOODAJ-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221096131 1225221293 /nfs/dbraw/zinc/22/12/93/1225221293.db2.gz NCGFTFHFCOODAJ-FGTMMUONSA-N 2 2 363.506 0.510 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091772 1225217180 /nfs/dbraw/zinc/21/71/80/1225217180.db2.gz WUBPNIJWTLXDMG-BBWFWOEESA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091772 1225217185 /nfs/dbraw/zinc/21/71/85/1225217185.db2.gz WUBPNIJWTLXDMG-BBWFWOEESA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091772 1225217192 /nfs/dbraw/zinc/21/71/92/1225217192.db2.gz WUBPNIJWTLXDMG-BBWFWOEESA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091772 1225217197 /nfs/dbraw/zinc/21/71/97/1225217197.db2.gz WUBPNIJWTLXDMG-BBWFWOEESA-N 2 2 370.538 0.381 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000880568972 1210550669 /nfs/dbraw/zinc/55/06/69/1210550669.db2.gz IKDZLIQSEHXZES-QGZVFWFLSA-N 2 2 374.470 0.926 20 0 FCADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NCC(=O)N1CCCC1 ZINC000880571916 1210551485 /nfs/dbraw/zinc/55/14/85/1210551485.db2.gz VTLKXMDPWVBIJE-QGZVFWFLSA-N 2 2 355.442 0.953 20 0 FCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000882490056 1210624796 /nfs/dbraw/zinc/62/47/96/1210624796.db2.gz XVHACEIOYUJFHX-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CC[N@H+]1CC[C@H]1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000882490056 1210624799 /nfs/dbraw/zinc/62/47/99/1210624799.db2.gz XVHACEIOYUJFHX-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000883035991 1210649292 /nfs/dbraw/zinc/64/92/92/1210649292.db2.gz WKXWCCKZCIPQHG-UHFFFAOYSA-N 2 2 362.478 0.789 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)no1 ZINC000883103168 1210653885 /nfs/dbraw/zinc/65/38/85/1210653885.db2.gz NJZKWMHUXLYBBS-HNNXBMFYSA-N 2 2 372.473 0.919 20 0 FCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000883251487 1210659793 /nfs/dbraw/zinc/65/97/93/1210659793.db2.gz QSMHDMMVFJXKDU-INIZCTEOSA-N 2 2 374.489 0.514 20 0 FCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000883251487 1210659796 /nfs/dbraw/zinc/65/97/96/1210659796.db2.gz QSMHDMMVFJXKDU-INIZCTEOSA-N 2 2 374.489 0.514 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4(CC3)COCCO4)C2)CC1 ZINC000883417097 1210665796 /nfs/dbraw/zinc/66/57/96/1210665796.db2.gz NQTSWJKZODHAMG-INIZCTEOSA-N 2 2 366.506 0.746 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(CC3)COCCO4)C2)CC1 ZINC000883417097 1210665800 /nfs/dbraw/zinc/66/58/00/1210665800.db2.gz NQTSWJKZODHAMG-INIZCTEOSA-N 2 2 366.506 0.746 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000883423289 1210666017 /nfs/dbraw/zinc/66/60/17/1210666017.db2.gz HZEACLSODKJQPV-IRXDYDNUSA-N 2 2 364.465 0.743 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000883588034 1210672605 /nfs/dbraw/zinc/67/26/05/1210672605.db2.gz ZBKYTNLQXCTLAN-OAHLLOKOSA-N 2 2 374.489 0.713 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000883639063 1210677018 /nfs/dbraw/zinc/67/70/18/1210677018.db2.gz FGGZWNVPPUXOCG-UHFFFAOYSA-N 2 2 358.486 0.843 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000883642693 1210678386 /nfs/dbraw/zinc/67/83/86/1210678386.db2.gz SOYPCZKVEBTPAS-VQIMIIECSA-N 2 2 372.513 0.946 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[NH2+]CCC23CCC3)C[C@H](C)O1 ZINC000883658414 1210681894 /nfs/dbraw/zinc/68/18/94/1210681894.db2.gz CJFGHBVMUPVLBP-IYBDPMFKSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884427434 1210734521 /nfs/dbraw/zinc/73/45/21/1210734521.db2.gz VTYZOQPWJZGSLF-DOTOQJQBSA-N 2 2 360.458 0.189 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c12 ZINC000884492091 1210739073 /nfs/dbraw/zinc/73/90/73/1210739073.db2.gz MMEKSMYJHYQVEZ-MUJYYYPQSA-N 2 2 369.469 0.948 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884627893 1210766971 /nfs/dbraw/zinc/76/69/71/1210766971.db2.gz GAACZHPQEQCCQL-QDMKHBRRSA-N 2 2 359.474 0.525 20 0 FCADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884682673 1210780297 /nfs/dbraw/zinc/78/02/97/1210780297.db2.gz HWBBWJDLZWLCHI-IAGOWNOFSA-N 2 2 355.442 0.999 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884720659 1210788755 /nfs/dbraw/zinc/78/87/55/1210788755.db2.gz RMIHYLBOHOXNAE-OIISXLGYSA-N 2 2 355.442 0.855 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000884797144 1210797023 /nfs/dbraw/zinc/79/70/23/1210797023.db2.gz OVZJCDDPNYNANM-INIZCTEOSA-N 2 2 369.469 0.929 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797799 1210797056 /nfs/dbraw/zinc/79/70/56/1210797056.db2.gz XUGWMTWLHUKTOF-DOTOQJQBSA-N 2 2 362.474 0.036 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884797799 1210797059 /nfs/dbraw/zinc/79/70/59/1210797059.db2.gz XUGWMTWLHUKTOF-DOTOQJQBSA-N 2 2 362.474 0.036 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000884824975 1210799515 /nfs/dbraw/zinc/79/95/15/1210799515.db2.gz XZXNSBDZCVOROA-CGTJXYLNSA-N 2 2 374.485 0.179 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000884824975 1210799523 /nfs/dbraw/zinc/79/95/23/1210799523.db2.gz XZXNSBDZCVOROA-CGTJXYLNSA-N 2 2 374.485 0.179 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000884847573 1210801122 /nfs/dbraw/zinc/80/11/22/1210801122.db2.gz BGKMGDGLXJHATJ-MRXNPFEDSA-N 2 2 367.453 0.698 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000885021065 1210809470 /nfs/dbraw/zinc/80/94/70/1210809470.db2.gz TYQLALBWJAGWOP-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000885021065 1210809471 /nfs/dbraw/zinc/80/94/71/1210809471.db2.gz TYQLALBWJAGWOP-WBVHZDCISA-N 2 2 362.474 0.118 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227541 1210816031 /nfs/dbraw/zinc/81/60/31/1210816031.db2.gz JWCRRKMUNUBETF-NVXWUHKLSA-N 2 2 355.442 0.938 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886869649 1210838141 /nfs/dbraw/zinc/83/81/41/1210838141.db2.gz DZUOJZIJRMHCRL-HXUWFJFHSA-N 2 2 374.485 0.633 20 0 FCADLP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886869649 1210838144 /nfs/dbraw/zinc/83/81/44/1210838144.db2.gz DZUOJZIJRMHCRL-HXUWFJFHSA-N 2 2 374.485 0.633 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000886935208 1210840005 /nfs/dbraw/zinc/84/00/05/1210840005.db2.gz BSVBASNIORBZPA-CYBMUJFWSA-N 2 2 372.420 0.582 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001691724276 1210848428 /nfs/dbraw/zinc/84/84/28/1210848428.db2.gz JFKGGENZXYPFJE-AEFFLSMTSA-N 2 2 360.502 0.876 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1C ZINC001691724276 1210848429 /nfs/dbraw/zinc/84/84/29/1210848429.db2.gz JFKGGENZXYPFJE-AEFFLSMTSA-N 2 2 360.502 0.876 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001691724276 1210848431 /nfs/dbraw/zinc/84/84/31/1210848431.db2.gz JFKGGENZXYPFJE-AEFFLSMTSA-N 2 2 360.502 0.876 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001691724276 1210848432 /nfs/dbraw/zinc/84/84/32/1210848432.db2.gz JFKGGENZXYPFJE-AEFFLSMTSA-N 2 2 360.502 0.876 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163030 1225248631 /nfs/dbraw/zinc/24/86/31/1225248631.db2.gz QMCUTNUMKJWAIH-MOPGFXCFSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOC2CCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163030 1225248636 /nfs/dbraw/zinc/24/86/36/1225248636.db2.gz QMCUTNUMKJWAIH-MOPGFXCFSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163030 1225248643 /nfs/dbraw/zinc/24/86/43/1225248643.db2.gz QMCUTNUMKJWAIH-MOPGFXCFSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)Cc1ccccc1 ZINC001221163030 1225248646 /nfs/dbraw/zinc/24/86/46/1225248646.db2.gz QMCUTNUMKJWAIH-MOPGFXCFSA-N 2 2 361.486 0.849 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110845513 1210991732 /nfs/dbraw/zinc/99/17/32/1210991732.db2.gz KPTCQASDDWWKTL-HZMVEIRTSA-N 2 2 373.501 0.991 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110845513 1210991736 /nfs/dbraw/zinc/99/17/36/1210991736.db2.gz KPTCQASDDWWKTL-HZMVEIRTSA-N 2 2 373.501 0.991 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110877252 1211007119 /nfs/dbraw/zinc/00/71/19/1211007119.db2.gz JOZIJYNZXPPILT-HZMVEIRTSA-N 2 2 359.474 0.911 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110877252 1211007122 /nfs/dbraw/zinc/00/71/22/1211007122.db2.gz JOZIJYNZXPPILT-HZMVEIRTSA-N 2 2 359.474 0.911 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274419301 1211050044 /nfs/dbraw/zinc/05/00/44/1211050044.db2.gz RNZYDBYSBLCBDB-BZSNNMDCSA-N 2 2 359.474 0.137 20 0 FCADLP COC(=O)c1ccc(CN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184066 1225258718 /nfs/dbraw/zinc/25/87/18/1225258718.db2.gz QSCSWTXWCYCVHL-XSLAGTTESA-N 3 2 374.485 0.761 20 0 FCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221196743 1225264636 /nfs/dbraw/zinc/26/46/36/1225264636.db2.gz VGNLNKZQQBHVQR-GJZGRUSLSA-N 2 2 368.522 0.719 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)Cc3cc[nH+]c(N)c3)(C1)CCC2 ZINC001274945949 1211149871 /nfs/dbraw/zinc/14/98/71/1211149871.db2.gz BSNKJWBVBFSSHW-RBUKOAKNSA-N 2 2 359.474 0.846 20 0 FCADLP CCC[C@@H](C)C[NH+]1CC2(C1)COCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001275081422 1211173941 /nfs/dbraw/zinc/17/39/41/1211173941.db2.gz GQLFASYWIBHKQR-GOSISDBHSA-N 2 2 366.550 0.973 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](CC1CCOCC1)C2 ZINC001275144142 1211179253 /nfs/dbraw/zinc/17/92/53/1211179253.db2.gz ZKGQKTVDZCIATE-IBGZPJMESA-N 2 2 362.474 0.861 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](CC1CCOCC1)C2 ZINC001275144142 1211179255 /nfs/dbraw/zinc/17/92/55/1211179255.db2.gz ZKGQKTVDZCIATE-IBGZPJMESA-N 2 2 362.474 0.861 20 0 FCADLP Cn1c[nH+]cc1CN1CC2(CCC1=O)CC[NH+](C[C@H]1CCC(=O)N1)CC2 ZINC001275153411 1211181898 /nfs/dbraw/zinc/18/18/98/1211181898.db2.gz TXYQPBOUXOHKDY-OAHLLOKOSA-N 2 2 359.474 0.903 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171099 1211187752 /nfs/dbraw/zinc/18/77/52/1211187752.db2.gz DENZZLXVMSANRV-ULQDDVLXSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171099 1211187757 /nfs/dbraw/zinc/18/77/57/1211187757.db2.gz DENZZLXVMSANRV-ULQDDVLXSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001275171099 1211187760 /nfs/dbraw/zinc/18/77/60/1211187760.db2.gz DENZZLXVMSANRV-ULQDDVLXSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(=O)[nH]1 ZINC001275171099 1211187761 /nfs/dbraw/zinc/18/77/61/1211187761.db2.gz DENZZLXVMSANRV-ULQDDVLXSA-N 2 2 359.474 0.208 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCN1C)CC2 ZINC001275171125 1211187866 /nfs/dbraw/zinc/18/78/66/1211187866.db2.gz DRZYVNQOLMOSLL-QGZVFWFLSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCN1C)CC2 ZINC001275171125 1211187870 /nfs/dbraw/zinc/18/78/70/1211187870.db2.gz DRZYVNQOLMOSLL-QGZVFWFLSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001275171125 1211187873 /nfs/dbraw/zinc/18/78/73/1211187873.db2.gz DRZYVNQOLMOSLL-QGZVFWFLSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001275171125 1211187875 /nfs/dbraw/zinc/18/78/75/1211187875.db2.gz DRZYVNQOLMOSLL-QGZVFWFLSA-N 2 2 368.522 0.167 20 0 FCADLP Cn1cnc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)c1 ZINC001275365796 1211223585 /nfs/dbraw/zinc/22/35/85/1211223585.db2.gz QJYQMVWIPUKRCZ-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cnc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)c1 ZINC001275365796 1211223587 /nfs/dbraw/zinc/22/35/87/1211223587.db2.gz QJYQMVWIPUKRCZ-GOSISDBHSA-N 2 2 356.430 0.658 20 0 FCADLP Cc1noc(CN2C[C@@]3(CC[N@H+](Cc4c[nH+]ccc4N)C3)OCC2=O)n1 ZINC001275455194 1211241082 /nfs/dbraw/zinc/24/10/82/1211241082.db2.gz GUSIMUZVMSKAHE-KRWDZBQOSA-N 2 2 358.402 0.189 20 0 FCADLP Cc1noc(CN2C[C@@]3(CC[N@@H+](Cc4c[nH+]ccc4N)C3)OCC2=O)n1 ZINC001275455194 1211241086 /nfs/dbraw/zinc/24/10/86/1211241086.db2.gz GUSIMUZVMSKAHE-KRWDZBQOSA-N 2 2 358.402 0.189 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001275455421 1211241492 /nfs/dbraw/zinc/24/14/92/1211241492.db2.gz KNILRODGDPUIOS-MAUKXSAKSA-N 2 2 362.430 0.249 20 0 FCADLP CN(C)C(=O)CCN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555463 1211257125 /nfs/dbraw/zinc/25/71/25/1211257125.db2.gz BQFLQLLKHRDITD-ZWKOTPCHSA-N 2 2 372.460 0.381 20 0 FCADLP CN(C)C(=O)CCN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275555463 1211257127 /nfs/dbraw/zinc/25/71/27/1211257127.db2.gz BQFLQLLKHRDITD-ZWKOTPCHSA-N 2 2 372.460 0.381 20 0 FCADLP CN(CC(C)(C)C[NH2+]Cc1nnnn1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275717826 1211274443 /nfs/dbraw/zinc/27/44/43/1211274443.db2.gz LWQXULKKRQIASP-CHWSQXEVSA-N 2 2 360.466 0.322 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccc[nH]2)C1 ZINC001275817741 1211290458 /nfs/dbraw/zinc/29/04/58/1211290458.db2.gz SZTGETMPXHUVHL-BHYGNILZSA-N 2 2 360.458 0.685 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccc[nH]2)C1 ZINC001275817741 1211290461 /nfs/dbraw/zinc/29/04/61/1211290461.db2.gz SZTGETMPXHUVHL-BHYGNILZSA-N 2 2 360.458 0.685 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)C1 ZINC001275817741 1211290463 /nfs/dbraw/zinc/29/04/63/1211290463.db2.gz SZTGETMPXHUVHL-BHYGNILZSA-N 2 2 360.458 0.685 20 0 FCADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc[nH]2)C1 ZINC001275817741 1211290464 /nfs/dbraw/zinc/29/04/64/1211290464.db2.gz SZTGETMPXHUVHL-BHYGNILZSA-N 2 2 360.458 0.685 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878603 1211302883 /nfs/dbraw/zinc/30/28/83/1211302883.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878603 1211302885 /nfs/dbraw/zinc/30/28/85/1211302885.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878603 1211302890 /nfs/dbraw/zinc/30/28/90/1211302890.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 2 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(C2)CN(CCn2ccnc2)C(=O)CO3)C1 ZINC001275878603 1211302891 /nfs/dbraw/zinc/30/28/91/1211302891.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 2 2 361.490 0.528 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878603 1211302895 /nfs/dbraw/zinc/30/28/95/1211302895.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 3 2 361.490 0.528 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878603 1211302899 /nfs/dbraw/zinc/30/28/99/1211302899.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878603 1211302902 /nfs/dbraw/zinc/30/29/02/1211302902.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)C1 ZINC001275878603 1211302904 /nfs/dbraw/zinc/30/29/04/1211302904.db2.gz LVQUOFZSCHRMMF-PKOBYXMFSA-N 3 2 361.490 0.528 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(C[C@@H]3CCC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001275879157 1211306138 /nfs/dbraw/zinc/30/61/38/1211306138.db2.gz OGQLOWGBPIECNI-FHLIZLRMSA-N 2 2 367.444 0.836 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(F)CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@]2(F)C1=O ZINC001275879157 1211306139 /nfs/dbraw/zinc/30/61/39/1211306139.db2.gz OGQLOWGBPIECNI-FHLIZLRMSA-N 2 2 367.444 0.836 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](Cc3ccnnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276039649 1211336402 /nfs/dbraw/zinc/33/64/02/1211336402.db2.gz DTLCEXUZTAUFSC-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](Cc3ccnnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276039649 1211336405 /nfs/dbraw/zinc/33/64/05/1211336405.db2.gz DTLCEXUZTAUFSC-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP Nc1nccnc1C[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276050191 1211340534 /nfs/dbraw/zinc/34/05/34/1211340534.db2.gz ZMFIBYKUCURNRL-UHFFFAOYSA-N 2 2 355.446 0.770 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001221256548 1225282561 /nfs/dbraw/zinc/28/25/61/1225282561.db2.gz BVZQXNRCNXNQML-CVEARBPZSA-N 2 2 360.414 0.286 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246396 1211391427 /nfs/dbraw/zinc/39/14/27/1211391427.db2.gz IFAUMQMIRJLDIA-CRAIPNDOSA-N 2 2 364.446 0.243 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276246396 1211391429 /nfs/dbraw/zinc/39/14/29/1211391429.db2.gz IFAUMQMIRJLDIA-CRAIPNDOSA-N 2 2 364.446 0.243 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247532 1211391959 /nfs/dbraw/zinc/39/19/59/1211391959.db2.gz PQTSMAPXHBBIGI-ACJLOTCBSA-N 2 2 362.430 0.570 20 0 FCADLP COC(=O)[C@H](C)C[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247532 1211391962 /nfs/dbraw/zinc/39/19/62/1211391962.db2.gz PQTSMAPXHBBIGI-ACJLOTCBSA-N 2 2 362.430 0.570 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2)N1CCCC1 ZINC001095684379 1211446504 /nfs/dbraw/zinc/44/65/04/1211446504.db2.gz BGJYVKXQYFNYEX-IKGGRYGDSA-N 2 2 360.502 0.959 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2)N1CCCC1 ZINC001095684379 1211446507 /nfs/dbraw/zinc/44/65/07/1211446507.db2.gz BGJYVKXQYFNYEX-IKGGRYGDSA-N 2 2 360.502 0.959 20 0 FCADLP C[NH+](C)C[C@@H]1NC(=O)N([C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000924614387 1211475248 /nfs/dbraw/zinc/47/52/48/1211475248.db2.gz ZIJKTHCIZFTIMA-IRXDYDNUSA-N 2 2 360.458 0.412 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000925768330 1211507931 /nfs/dbraw/zinc/50/79/31/1211507931.db2.gz JOUHUBZNSWRZHB-FYQPLNBISA-N 3 2 366.550 0.530 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975774 1211512054 /nfs/dbraw/zinc/51/20/54/1211512054.db2.gz IOHLNFSFVAKBOJ-IAGOWNOFSA-N 2 2 365.522 0.807 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000925975774 1211512061 /nfs/dbraw/zinc/51/20/61/1211512061.db2.gz IOHLNFSFVAKBOJ-IAGOWNOFSA-N 2 2 365.522 0.807 20 0 FCADLP O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221311674 1225294173 /nfs/dbraw/zinc/29/41/73/1225294173.db2.gz GKDBWJRECZPZTQ-KPZWWZAWSA-N 2 2 356.382 0.638 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000927643088 1211578214 /nfs/dbraw/zinc/57/82/14/1211578214.db2.gz FQSGEDDSFKDANY-QZTJIDSGSA-N 2 2 366.506 0.746 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000927643088 1211578221 /nfs/dbraw/zinc/57/82/21/1211578221.db2.gz FQSGEDDSFKDANY-QZTJIDSGSA-N 2 2 366.506 0.746 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1nnc(C)o1 ZINC001221335917 1225299797 /nfs/dbraw/zinc/29/97/97/1225299797.db2.gz IFNZGYDYAOHILS-ZIEJDFEHSA-N 2 2 357.414 0.542 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000927884796 1211590247 /nfs/dbraw/zinc/59/02/47/1211590247.db2.gz ZKKPGLFIDBUAMA-MRXNPFEDSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001110956660 1211614858 /nfs/dbraw/zinc/61/48/58/1211614858.db2.gz SMDAQVZAEHRGNN-SVGFKBNWSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2)C1CC1 ZINC001110956660 1211614860 /nfs/dbraw/zinc/61/48/60/1211614860.db2.gz SMDAQVZAEHRGNN-SVGFKBNWSA-N 2 2 362.518 0.964 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001221393668 1225306508 /nfs/dbraw/zinc/30/65/08/1225306508.db2.gz LOXZLKXZXQXRHY-HOTGVXAUSA-N 3 2 363.462 0.024 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCCC1 ZINC000929178928 1211621508 /nfs/dbraw/zinc/62/15/08/1211621508.db2.gz BNYMWBNMIQITSJ-NVXWUHKLSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCCC1 ZINC000929178928 1211621510 /nfs/dbraw/zinc/62/15/10/1211621510.db2.gz BNYMWBNMIQITSJ-NVXWUHKLSA-N 2 2 374.485 0.769 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCn4cccc4C3)CC2)CC1 ZINC000929852957 1211664882 /nfs/dbraw/zinc/66/48/82/1211664882.db2.gz QVLFVTKTZGYILQ-UHFFFAOYSA-N 2 2 373.501 0.505 20 0 FCADLP Cn1ccc(N2CC[C@H]([N@@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001110979746 1211683503 /nfs/dbraw/zinc/68/35/03/1211683503.db2.gz BGODQKLYOQUICK-WCVJEAGWSA-N 2 2 374.489 0.199 20 0 FCADLP Cn1ccc(N2CC[C@H]([N@H+]3[C@@H]4CC[C@H]3[C@H](NC(=O)CC[NH+](C)C)C4)C2=O)n1 ZINC001110979746 1211683509 /nfs/dbraw/zinc/68/35/09/1211683509.db2.gz BGODQKLYOQUICK-WCVJEAGWSA-N 2 2 374.489 0.199 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(OC)c1 ZINC000931282437 1211749417 /nfs/dbraw/zinc/74/94/17/1211749417.db2.gz AVWABBZVSTVSHC-OIPACUDHSA-N 2 2 364.442 0.713 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(OC)c1 ZINC000931282437 1211749424 /nfs/dbraw/zinc/74/94/24/1211749424.db2.gz AVWABBZVSTVSHC-OIPACUDHSA-N 2 2 364.442 0.713 20 0 FCADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484952 1211757666 /nfs/dbraw/zinc/75/76/66/1211757666.db2.gz RRAWYGLUXLLBMZ-AWEZNQCLSA-N 2 2 360.458 0.749 20 0 FCADLP CN(C)C(=O)c1cccc(NC(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931483601 1211757798 /nfs/dbraw/zinc/75/77/98/1211757798.db2.gz DZZOKQMFGMWBIR-UHFFFAOYSA-N 2 2 362.474 0.715 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000931603410 1211763134 /nfs/dbraw/zinc/76/31/34/1211763134.db2.gz PGJWSUDWKFQELB-UHFFFAOYSA-N 2 2 368.441 0.508 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000931627776 1211765572 /nfs/dbraw/zinc/76/55/72/1211765572.db2.gz HGSALPRVAZEEMP-MSOLQXFVSA-N 2 2 369.506 0.483 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931999163 1211792865 /nfs/dbraw/zinc/79/28/65/1211792865.db2.gz FAXGIECJNKQDLN-HOTGVXAUSA-N 2 2 360.458 0.814 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000931999163 1211792867 /nfs/dbraw/zinc/79/28/67/1211792867.db2.gz FAXGIECJNKQDLN-HOTGVXAUSA-N 2 2 360.458 0.814 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153921 1211902448 /nfs/dbraw/zinc/90/24/48/1211902448.db2.gz VBMDCTYPHABFTM-SVGFKBNWSA-N 2 2 364.490 0.097 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153921 1211902450 /nfs/dbraw/zinc/90/24/50/1211902450.db2.gz VBMDCTYPHABFTM-SVGFKBNWSA-N 2 2 364.490 0.097 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O)C(C)C ZINC001111164339 1211906979 /nfs/dbraw/zinc/90/69/79/1211906979.db2.gz UQTOOUKXKVJSMM-HGTKMLMNSA-N 2 2 367.494 0.269 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O)C(C)C ZINC001111164339 1211906984 /nfs/dbraw/zinc/90/69/84/1211906984.db2.gz UQTOOUKXKVJSMM-HGTKMLMNSA-N 2 2 367.494 0.269 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)CC1 ZINC001111217339 1211931319 /nfs/dbraw/zinc/93/13/19/1211931319.db2.gz SHGNMQCLRRHWHS-KFWWJZLASA-N 2 2 365.478 0.023 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)CC1 ZINC001111217339 1211931323 /nfs/dbraw/zinc/93/13/23/1211931323.db2.gz SHGNMQCLRRHWHS-KFWWJZLASA-N 2 2 365.478 0.023 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001111230332 1211936115 /nfs/dbraw/zinc/93/61/15/1211936115.db2.gz LPDRDNGFNIWZBG-OIISXLGYSA-N 2 2 362.474 0.959 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001111230332 1211936119 /nfs/dbraw/zinc/93/61/19/1211936119.db2.gz LPDRDNGFNIWZBG-OIISXLGYSA-N 2 2 362.474 0.959 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001111230332 1211936120 /nfs/dbraw/zinc/93/61/20/1211936120.db2.gz LPDRDNGFNIWZBG-OIISXLGYSA-N 2 2 362.474 0.959 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001111230332 1211936122 /nfs/dbraw/zinc/93/61/22/1211936122.db2.gz LPDRDNGFNIWZBG-OIISXLGYSA-N 2 2 362.474 0.959 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001095801190 1212008688 /nfs/dbraw/zinc/00/86/88/1212008688.db2.gz RENMFRDYYAGEQK-ZBRFXRBCSA-N 2 2 369.481 0.947 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001095801190 1212008695 /nfs/dbraw/zinc/00/86/95/1212008695.db2.gz RENMFRDYYAGEQK-ZBRFXRBCSA-N 2 2 369.481 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC000968867127 1212159117 /nfs/dbraw/zinc/15/91/17/1212159117.db2.gz SDSAZTMGOCTHCY-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC000968867127 1212159120 /nfs/dbraw/zinc/15/91/20/1212159120.db2.gz SDSAZTMGOCTHCY-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC000968867127 1212159124 /nfs/dbraw/zinc/15/91/24/1212159124.db2.gz SDSAZTMGOCTHCY-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC000968867127 1212159128 /nfs/dbraw/zinc/15/91/28/1212159128.db2.gz SDSAZTMGOCTHCY-QLFBSQMISA-N 2 2 364.494 0.309 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511361 1225345824 /nfs/dbraw/zinc/34/58/24/1225345824.db2.gz XOWPPPJLXNQQAA-HZPDHXFCSA-N 2 2 363.462 0.028 20 0 FCADLP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001221511361 1225345829 /nfs/dbraw/zinc/34/58/29/1225345829.db2.gz XOWPPPJLXNQQAA-HZPDHXFCSA-N 2 2 363.462 0.028 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC000948542169 1212196728 /nfs/dbraw/zinc/19/67/28/1212196728.db2.gz NVEXQBKJEZHYHU-HLLBOEOZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnnn3C)CC2)O1 ZINC000948542169 1212196730 /nfs/dbraw/zinc/19/67/30/1212196730.db2.gz NVEXQBKJEZHYHU-HLLBOEOZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3cnnn3C)CC2)O1 ZINC000948542169 1212196731 /nfs/dbraw/zinc/19/67/31/1212196731.db2.gz NVEXQBKJEZHYHU-HLLBOEOZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cnnn3C)CC2)O1 ZINC000948542169 1212196733 /nfs/dbraw/zinc/19/67/33/1212196733.db2.gz NVEXQBKJEZHYHU-HLLBOEOZSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnn(C)n3)CC2)O1 ZINC000948540999 1212196752 /nfs/dbraw/zinc/19/67/52/1212196752.db2.gz BOESIQYLIHCDBA-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cnn(C)n3)CC2)O1 ZINC000948540999 1212196753 /nfs/dbraw/zinc/19/67/53/1212196753.db2.gz BOESIQYLIHCDBA-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)O1 ZINC000948540999 1212196756 /nfs/dbraw/zinc/19/67/56/1212196756.db2.gz BOESIQYLIHCDBA-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)O1 ZINC000948540999 1212196758 /nfs/dbraw/zinc/19/67/58/1212196758.db2.gz BOESIQYLIHCDBA-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540940 1212197055 /nfs/dbraw/zinc/19/70/55/1212197055.db2.gz ASKVCFIUDKYDRX-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540940 1212197060 /nfs/dbraw/zinc/19/70/60/1212197060.db2.gz ASKVCFIUDKYDRX-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540940 1212197063 /nfs/dbraw/zinc/19/70/63/1212197063.db2.gz ASKVCFIUDKYDRX-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC000948540940 1212197066 /nfs/dbraw/zinc/19/70/66/1212197066.db2.gz ASKVCFIUDKYDRX-FVQBIDKESA-N 2 2 365.478 0.910 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)nn1 ZINC001111277476 1212204189 /nfs/dbraw/zinc/20/41/89/1212204189.db2.gz UEICDGZPNATOHP-OAGGEKHMSA-N 2 2 363.462 0.285 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)nn1 ZINC001111277476 1212204193 /nfs/dbraw/zinc/20/41/93/1212204193.db2.gz UEICDGZPNATOHP-OAGGEKHMSA-N 2 2 363.462 0.285 20 0 FCADLP O=C(NCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000949181259 1212314212 /nfs/dbraw/zinc/31/42/12/1212314212.db2.gz VHEJSZVHBDNYCV-HZPDHXFCSA-N 2 2 371.485 0.964 20 0 FCADLP O=C(NCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000949181259 1212314216 /nfs/dbraw/zinc/31/42/16/1212314216.db2.gz VHEJSZVHBDNYCV-HZPDHXFCSA-N 2 2 371.485 0.964 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557473 1225366553 /nfs/dbraw/zinc/36/65/53/1225366553.db2.gz SIMRYJRQKKTENC-KZNAEPCWSA-N 2 2 362.518 0.633 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557473 1225366556 /nfs/dbraw/zinc/36/65/56/1225366556.db2.gz SIMRYJRQKKTENC-KZNAEPCWSA-N 2 2 362.518 0.633 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000949955800 1212492731 /nfs/dbraw/zinc/49/27/31/1212492731.db2.gz UZPOOCOUHDBZBD-BZUAXINKSA-N 2 2 359.474 0.819 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]cn2C)C3)CC[N@@H+]1C ZINC001007520125 1212515996 /nfs/dbraw/zinc/51/59/96/1212515996.db2.gz LOPKYGKHQQSVKI-MJEZEWASSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]cn2C)C3)CC[N@H+]1C ZINC001007520125 1212516002 /nfs/dbraw/zinc/51/60/02/1212516002.db2.gz LOPKYGKHQQSVKI-MJEZEWASSA-N 2 2 373.501 0.800 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000779341670 1212517362 /nfs/dbraw/zinc/51/73/62/1212517362.db2.gz PBVDSBMISPLBTH-KBAYOESNSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000779341670 1212517364 /nfs/dbraw/zinc/51/73/64/1212517364.db2.gz PBVDSBMISPLBTH-KBAYOESNSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001007703282 1212558898 /nfs/dbraw/zinc/55/88/98/1212558898.db2.gz URCGHDDPSTYIRE-GJYPPUQNSA-N 2 2 359.474 0.722 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001007703282 1212558901 /nfs/dbraw/zinc/55/89/01/1212558901.db2.gz URCGHDDPSTYIRE-GJYPPUQNSA-N 2 2 359.474 0.722 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000950583726 1212599496 /nfs/dbraw/zinc/59/94/96/1212599496.db2.gz BETHPBNJJYXJGK-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000950625853 1212613432 /nfs/dbraw/zinc/61/34/32/1212613432.db2.gz FXIPJCZFJJPKQF-OWCLPIDISA-N 2 2 371.485 0.504 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001008158872 1212646436 /nfs/dbraw/zinc/64/64/36/1212646436.db2.gz DYCXWTLMQFSWHS-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001008158872 1212646439 /nfs/dbraw/zinc/64/64/39/1212646439.db2.gz DYCXWTLMQFSWHS-VCBZYWHSSA-N 2 2 359.474 0.791 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]cc[nH+]2)C1)C1CCC1 ZINC001008161328 1212647119 /nfs/dbraw/zinc/64/71/19/1212647119.db2.gz JEVHIYGRJOIUHB-LIRRHRJNSA-N 2 2 359.474 0.934 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]cc[nH+]2)C1)C1CCC1 ZINC001008161328 1212647120 /nfs/dbraw/zinc/64/71/20/1212647120.db2.gz JEVHIYGRJOIUHB-LIRRHRJNSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C)C1CC1 ZINC001691735453 1212647137 /nfs/dbraw/zinc/64/71/37/1212647137.db2.gz JEMCWCCNLKCBFT-UXLLHSPISA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C)C1CC1 ZINC001691735453 1212647140 /nfs/dbraw/zinc/64/71/40/1212647140.db2.gz JEMCWCCNLKCBFT-UXLLHSPISA-N 2 2 366.506 0.202 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2)NC1CC1 ZINC001095812282 1212651468 /nfs/dbraw/zinc/65/14/68/1212651468.db2.gz JHIOIIRXTVBVQX-DFEOGRTESA-N 2 2 360.502 0.861 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2)NC1CC1 ZINC001095812282 1212651474 /nfs/dbraw/zinc/65/14/74/1212651474.db2.gz JHIOIIRXTVBVQX-DFEOGRTESA-N 2 2 360.502 0.861 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001008396668 1212691596 /nfs/dbraw/zinc/69/15/96/1212691596.db2.gz UGSCAGLLMNKLAW-IIAWOOMASA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001008396668 1212691602 /nfs/dbraw/zinc/69/16/02/1212691602.db2.gz UGSCAGLLMNKLAW-IIAWOOMASA-N 2 2 361.490 0.954 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@@H+]1C ZINC001009112453 1212805262 /nfs/dbraw/zinc/80/52/62/1212805262.db2.gz LYVLVDLOTKGICY-NHMWIVBRSA-N 2 2 359.474 0.123 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)CC[N@H+]1C ZINC001009112453 1212805267 /nfs/dbraw/zinc/80/52/67/1212805267.db2.gz LYVLVDLOTKGICY-NHMWIVBRSA-N 2 2 359.474 0.123 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009354549 1212841282 /nfs/dbraw/zinc/84/12/82/1212841282.db2.gz COVDHOJYGNWXTO-JXFKEZNVSA-N 2 2 371.485 0.724 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC000952176115 1212921699 /nfs/dbraw/zinc/92/16/99/1212921699.db2.gz YORAYVHVEKGPFS-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411023 1212994058 /nfs/dbraw/zinc/99/40/58/1212994058.db2.gz FAMNRARWEREJQQ-HZMVEIRTSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411023 1212994062 /nfs/dbraw/zinc/99/40/62/1212994062.db2.gz FAMNRARWEREJQQ-HZMVEIRTSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221654877 1225420066 /nfs/dbraw/zinc/42/00/66/1225420066.db2.gz WSRFLAQFIUAVCR-BFHYXJOUSA-N 2 2 367.494 0.094 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221654877 1225420067 /nfs/dbraw/zinc/42/00/67/1225420067.db2.gz WSRFLAQFIUAVCR-BFHYXJOUSA-N 2 2 367.494 0.094 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221654877 1225420070 /nfs/dbraw/zinc/42/00/70/1225420070.db2.gz WSRFLAQFIUAVCR-BFHYXJOUSA-N 2 2 367.494 0.094 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001221654877 1225420072 /nfs/dbraw/zinc/42/00/72/1225420072.db2.gz WSRFLAQFIUAVCR-BFHYXJOUSA-N 2 2 367.494 0.094 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000955364954 1213150004 /nfs/dbraw/zinc/15/00/04/1213150004.db2.gz YTSSWFXDGTUGFR-HUUCEWRRSA-N 2 2 356.430 0.398 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)CC[N@@H+]1C ZINC000956594041 1213207367 /nfs/dbraw/zinc/20/73/67/1213207367.db2.gz JVFBAHNKDHUPJS-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)CC[N@H+]1C ZINC000956594041 1213207369 /nfs/dbraw/zinc/20/73/69/1213207369.db2.gz JVFBAHNKDHUPJS-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP c1nc(N2CCCC2)ncc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789396 1213216249 /nfs/dbraw/zinc/21/62/49/1213216249.db2.gz FCYBLSXZNDMJHK-IBGZPJMESA-N 2 2 374.533 0.963 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000957078563 1213247188 /nfs/dbraw/zinc/24/71/88/1213247188.db2.gz ASABSRPUYAKFGS-KBUPBQIOSA-N 2 2 361.490 0.991 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000957078563 1213247193 /nfs/dbraw/zinc/24/71/93/1213247193.db2.gz ASABSRPUYAKFGS-KBUPBQIOSA-N 2 2 361.490 0.991 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001221691555 1225444344 /nfs/dbraw/zinc/44/43/44/1225444344.db2.gz NSEJIQJHQCOFHY-GVDBMIGSSA-N 2 2 361.490 0.885 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]21 ZINC001221691555 1225444346 /nfs/dbraw/zinc/44/43/46/1225444346.db2.gz NSEJIQJHQCOFHY-GVDBMIGSSA-N 2 2 361.490 0.885 20 0 FCADLP CCOC(=O)CC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276318074 1213404195 /nfs/dbraw/zinc/40/41/95/1213404195.db2.gz UAWQOPVMTUQURZ-SFHVURJKSA-N 2 2 364.446 0.424 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000959837542 1213531801 /nfs/dbraw/zinc/53/18/01/1213531801.db2.gz TZJGTRVUIJHADQ-BFYDXBDKSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000959837542 1213531805 /nfs/dbraw/zinc/53/18/05/1213531805.db2.gz TZJGTRVUIJHADQ-BFYDXBDKSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)(C)[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276824950 1225467982 /nfs/dbraw/zinc/46/79/82/1225467982.db2.gz RFQWUVNOGINBNZ-LPHOPBHVSA-N 2 2 364.490 0.841 20 0 FCADLP CC(C)(C)[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276824950 1225467989 /nfs/dbraw/zinc/46/79/89/1225467989.db2.gz RFQWUVNOGINBNZ-LPHOPBHVSA-N 2 2 364.490 0.841 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009632777 1213799949 /nfs/dbraw/zinc/79/99/49/1213799949.db2.gz IMJGHSYZBZLSDQ-YWZLYKJASA-N 2 2 371.485 0.793 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001011131695 1213833575 /nfs/dbraw/zinc/83/35/75/1213833575.db2.gz BUVFDZFLHTUHEX-HZPDHXFCSA-N 2 2 359.474 0.916 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001011131695 1213833577 /nfs/dbraw/zinc/83/35/77/1213833577.db2.gz BUVFDZFLHTUHEX-HZPDHXFCSA-N 2 2 359.474 0.916 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001011178354 1213838036 /nfs/dbraw/zinc/83/80/36/1213838036.db2.gz WNWVGNRMWVRGNC-BRWVUGGUSA-N 2 2 371.485 0.536 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2[nH]cc[nH+]2)CC3)CC[N@@H+]1C ZINC001014306613 1213937458 /nfs/dbraw/zinc/93/74/58/1213937458.db2.gz SRQUDOQJNZAKPC-GPINWOSQSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)Cc2[nH]cc[nH+]2)CC3)CC[N@H+]1C ZINC001014306613 1213937461 /nfs/dbraw/zinc/93/74/61/1213937461.db2.gz SRQUDOQJNZAKPC-GPINWOSQSA-N 2 2 359.474 0.932 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813700 1225489510 /nfs/dbraw/zinc/48/95/10/1225489510.db2.gz VRSRIOWJCIHPKS-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813700 1225489514 /nfs/dbraw/zinc/48/95/14/1225489514.db2.gz VRSRIOWJCIHPKS-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813700 1225489517 /nfs/dbraw/zinc/48/95/17/1225489517.db2.gz VRSRIOWJCIHPKS-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813700 1225489518 /nfs/dbraw/zinc/48/95/18/1225489518.db2.gz VRSRIOWJCIHPKS-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733029 1213994900 /nfs/dbraw/zinc/99/49/00/1213994900.db2.gz KBHHZMOUGRUULG-QRQLOZEOSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733029 1213994908 /nfs/dbraw/zinc/99/49/08/1213994908.db2.gz KBHHZMOUGRUULG-QRQLOZEOSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733029 1213994912 /nfs/dbraw/zinc/99/49/12/1213994912.db2.gz KBHHZMOUGRUULG-QRQLOZEOSA-N 2 2 368.485 0.851 20 0 FCADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733029 1213994915 /nfs/dbraw/zinc/99/49/15/1213994915.db2.gz KBHHZMOUGRUULG-QRQLOZEOSA-N 2 2 368.485 0.851 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N1CCC1)CC2 ZINC001095927741 1213998776 /nfs/dbraw/zinc/99/87/76/1213998776.db2.gz LBXAZUMRPBXDNW-LMSBXDPUSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N1CCC1)CC2 ZINC001095927741 1213998779 /nfs/dbraw/zinc/99/87/79/1213998779.db2.gz LBXAZUMRPBXDNW-LMSBXDPUSA-N 2 2 371.485 0.708 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2CC[N@H+](CCNC(=O)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001221837815 1225499710 /nfs/dbraw/zinc/49/97/10/1225499710.db2.gz GHOWKIXIKSIDEX-DJIMGWMZSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2CC[N@@H+](CCNC(=O)C3CC3)C[C@H]21)n1cc[nH+]c1 ZINC001221837815 1225499714 /nfs/dbraw/zinc/49/97/14/1225499714.db2.gz GHOWKIXIKSIDEX-DJIMGWMZSA-N 2 2 359.474 0.893 20 0 FCADLP CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001016768146 1214041665 /nfs/dbraw/zinc/04/16/65/1214041665.db2.gz BEFYKYXGZPDPKX-QDIHITRGSA-N 2 2 371.485 0.725 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cn(C)nn3)C2)O1 ZINC001017153452 1214076115 /nfs/dbraw/zinc/07/61/15/1214076115.db2.gz PQJWCTFOUDQCCN-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cn(C)nn3)C2)O1 ZINC001017153452 1214076125 /nfs/dbraw/zinc/07/61/25/1214076125.db2.gz PQJWCTFOUDQCCN-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cn(C)nn3)C2)O1 ZINC001017153452 1214076133 /nfs/dbraw/zinc/07/61/33/1214076133.db2.gz PQJWCTFOUDQCCN-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cn(C)nn3)C2)O1 ZINC001017153452 1214076138 /nfs/dbraw/zinc/07/61/38/1214076138.db2.gz PQJWCTFOUDQCCN-HLLBOEOZSA-N 2 2 364.494 0.205 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccnn2C)C1 ZINC001095915544 1214079165 /nfs/dbraw/zinc/07/91/65/1214079165.db2.gz GOASLHCAVMTUNZ-UBDQQSCGSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccnn2C)C1 ZINC001095915544 1214079170 /nfs/dbraw/zinc/07/91/70/1214079170.db2.gz GOASLHCAVMTUNZ-UBDQQSCGSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)C1 ZINC001095915544 1214079173 /nfs/dbraw/zinc/07/91/73/1214079173.db2.gz GOASLHCAVMTUNZ-UBDQQSCGSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)C1 ZINC001095915544 1214079177 /nfs/dbraw/zinc/07/91/77/1214079177.db2.gz GOASLHCAVMTUNZ-UBDQQSCGSA-N 2 2 361.490 0.751 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2)C1CC1 ZINC001019108271 1214198053 /nfs/dbraw/zinc/19/80/53/1214198053.db2.gz LBCOWZDKLJENKS-BFYDXBDKSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]3C2)CC[N@@H+]1C ZINC000961665920 1214261713 /nfs/dbraw/zinc/26/17/13/1214261713.db2.gz ANOKNZYNQPTOEB-PNBKFKSVSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]3C2)CC[N@H+]1C ZINC000961665920 1214261719 /nfs/dbraw/zinc/26/17/19/1214261719.db2.gz ANOKNZYNQPTOEB-PNBKFKSVSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000961665920 1214261723 /nfs/dbraw/zinc/26/17/23/1214261723.db2.gz ANOKNZYNQPTOEB-PNBKFKSVSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@H+]1C ZINC000961665920 1214261727 /nfs/dbraw/zinc/26/17/27/1214261727.db2.gz ANOKNZYNQPTOEB-PNBKFKSVSA-N 2 2 359.474 0.599 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@@H+]1C ZINC000961674244 1214265023 /nfs/dbraw/zinc/26/50/23/1214265023.db2.gz ZZJUZZDSEFYTEK-HDEZJCGLSA-N 2 2 359.474 0.599 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC[N@H+]1C ZINC000961674244 1214265028 /nfs/dbraw/zinc/26/50/28/1214265028.db2.gz ZZJUZZDSEFYTEK-HDEZJCGLSA-N 2 2 359.474 0.599 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)CC[N@@H+]1C ZINC001019598712 1214272368 /nfs/dbraw/zinc/27/23/68/1214272368.db2.gz DHVABBHRSKREQQ-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)CC[N@H+]1C ZINC001019598712 1214272372 /nfs/dbraw/zinc/27/23/72/1214272372.db2.gz DHVABBHRSKREQQ-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221870761 1225514457 /nfs/dbraw/zinc/51/44/57/1225514457.db2.gz GPILHRJXKUXXNB-IXDOHACOSA-N 2 2 366.506 0.286 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221870761 1225514461 /nfs/dbraw/zinc/51/44/61/1225514461.db2.gz GPILHRJXKUXXNB-IXDOHACOSA-N 2 2 366.506 0.286 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872041 1225515572 /nfs/dbraw/zinc/51/55/72/1225515572.db2.gz OWAWAGMFXSXVJQ-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872041 1225515574 /nfs/dbraw/zinc/51/55/74/1225515574.db2.gz OWAWAGMFXSXVJQ-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872139 1225516160 /nfs/dbraw/zinc/51/61/60/1225516160.db2.gz SBCPJXHJHMQMKF-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872139 1225516164 /nfs/dbraw/zinc/51/61/64/1225516164.db2.gz SBCPJXHJHMQMKF-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccccc1 ZINC000281523770 1214306292 /nfs/dbraw/zinc/30/62/92/1214306292.db2.gz VSCLMYUDPDXEAF-IKGGRYGDSA-N 2 2 360.458 0.836 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccccc1 ZINC000281523770 1214306300 /nfs/dbraw/zinc/30/63/00/1214306300.db2.gz VSCLMYUDPDXEAF-IKGGRYGDSA-N 2 2 360.458 0.836 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001221872700 1225516931 /nfs/dbraw/zinc/51/69/31/1225516931.db2.gz FETKIOXGKQOSCO-USXIJHARSA-N 2 2 361.490 0.981 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001221872700 1225516935 /nfs/dbraw/zinc/51/69/35/1225516935.db2.gz FETKIOXGKQOSCO-USXIJHARSA-N 2 2 361.490 0.981 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221872817 1225517230 /nfs/dbraw/zinc/51/72/30/1225517230.db2.gz ISIRMTVGMXBINY-IXDOHACOSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001221872817 1225517234 /nfs/dbraw/zinc/51/72/34/1225517234.db2.gz ISIRMTVGMXBINY-IXDOHACOSA-N 2 2 359.474 0.783 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001020165973 1214314971 /nfs/dbraw/zinc/31/49/71/1214314971.db2.gz ITWPRMFRYRFUCF-WRQOLXDDSA-N 2 2 371.485 0.621 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001020166202 1214315609 /nfs/dbraw/zinc/31/56/09/1214315609.db2.gz SUVCWQKTPVYFEZ-KLHDSHLOSA-N 2 2 369.473 0.719 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961840629 1214328802 /nfs/dbraw/zinc/32/88/02/1214328802.db2.gz LGPSQIPIZSMVNF-NQNKBUKLSA-N 2 2 371.485 0.772 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1 ZINC000961840629 1214328805 /nfs/dbraw/zinc/32/88/05/1214328805.db2.gz LGPSQIPIZSMVNF-NQNKBUKLSA-N 2 2 371.485 0.772 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001038717479 1214366731 /nfs/dbraw/zinc/36/67/31/1214366731.db2.gz NQZWALNSRHXKDT-OTWHNJEPSA-N 2 2 370.497 0.755 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001038717479 1214366735 /nfs/dbraw/zinc/36/67/35/1214366735.db2.gz NQZWALNSRHXKDT-OTWHNJEPSA-N 2 2 370.497 0.755 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001038717479 1214366739 /nfs/dbraw/zinc/36/67/39/1214366739.db2.gz NQZWALNSRHXKDT-OTWHNJEPSA-N 2 2 370.497 0.755 20 0 FCADLP C[NH+]1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCC2)[C@@H](c2ccccc2)C1 ZINC001038717479 1214366747 /nfs/dbraw/zinc/36/67/47/1214366747.db2.gz NQZWALNSRHXKDT-OTWHNJEPSA-N 2 2 370.497 0.755 20 0 FCADLP CCCc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961987711 1214392699 /nfs/dbraw/zinc/39/26/99/1214392699.db2.gz CMJZAYQXUNWMEF-XSCHDIRWSA-N 2 2 365.478 0.726 20 0 FCADLP CCCc1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961987711 1214392704 /nfs/dbraw/zinc/39/27/04/1214392704.db2.gz CMJZAYQXUNWMEF-XSCHDIRWSA-N 2 2 365.478 0.726 20 0 FCADLP CC(C)c1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961988296 1214392911 /nfs/dbraw/zinc/39/29/11/1214392911.db2.gz FVVCQGDZSZSECK-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1nc(C[NH2+]CC2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC000961988296 1214392919 /nfs/dbraw/zinc/39/29/19/1214392919.db2.gz FVVCQGDZSZSECK-XSCHDIRWSA-N 2 2 365.478 0.897 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039606954 1214407181 /nfs/dbraw/zinc/40/71/81/1214407181.db2.gz YJUZOYVYAAJXHH-CVEARBPZSA-N 2 2 370.461 0.582 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095916154 1214412939 /nfs/dbraw/zinc/41/29/39/1214412939.db2.gz VMKKNVDIOXBOCB-QZWWFDLISA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N2CCC2)C1 ZINC001095916154 1214412943 /nfs/dbraw/zinc/41/29/43/1214412943.db2.gz VMKKNVDIOXBOCB-QZWWFDLISA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)C1 ZINC001095916154 1214412949 /nfs/dbraw/zinc/41/29/49/1214412949.db2.gz VMKKNVDIOXBOCB-QZWWFDLISA-N 2 2 364.490 0.049 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)C1 ZINC001095916154 1214412951 /nfs/dbraw/zinc/41/29/51/1214412951.db2.gz VMKKNVDIOXBOCB-QZWWFDLISA-N 2 2 364.490 0.049 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622037 1214417655 /nfs/dbraw/zinc/41/76/55/1214417655.db2.gz GRICSOIORPCOOD-BMFZPTHFSA-N 2 2 370.461 0.582 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622037 1214417659 /nfs/dbraw/zinc/41/76/59/1214417659.db2.gz GRICSOIORPCOOD-BMFZPTHFSA-N 2 2 370.461 0.582 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001221914335 1225533288 /nfs/dbraw/zinc/53/32/88/1225533288.db2.gz UNFWVZOQFHHYMX-QGPMSJSTSA-N 2 2 371.441 0.421 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001221914335 1225533291 /nfs/dbraw/zinc/53/32/91/1225533291.db2.gz UNFWVZOQFHHYMX-QGPMSJSTSA-N 2 2 371.441 0.421 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221947106 1225548214 /nfs/dbraw/zinc/54/82/14/1225548214.db2.gz RSSMYYWMOUQLHH-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221947106 1225548217 /nfs/dbraw/zinc/54/82/17/1225548217.db2.gz RSSMYYWMOUQLHH-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221950460 1225548936 /nfs/dbraw/zinc/54/89/36/1225548936.db2.gz JEJBUZMBMRRFTN-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001221950460 1225548938 /nfs/dbraw/zinc/54/89/38/1225548938.db2.gz JEJBUZMBMRRFTN-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952122 1225550278 /nfs/dbraw/zinc/55/02/78/1225550278.db2.gz PULQVTQZJAAHLB-RHSMWYFYSA-N 2 2 359.474 0.772 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001221952122 1225550279 /nfs/dbraw/zinc/55/02/79/1225550279.db2.gz PULQVTQZJAAHLB-RHSMWYFYSA-N 2 2 359.474 0.772 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000963149541 1214751199 /nfs/dbraw/zinc/75/11/99/1214751199.db2.gz DHGDPRZZRJUIQA-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000963149541 1214751203 /nfs/dbraw/zinc/75/12/03/1214751203.db2.gz DHGDPRZZRJUIQA-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NCC1CCC1 ZINC001221948391 1225547467 /nfs/dbraw/zinc/54/74/67/1225547467.db2.gz UFVHKSYPVVWMNJ-IAGOWNOFSA-N 2 2 360.502 0.531 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NCC1CCC1 ZINC001221948391 1225547473 /nfs/dbraw/zinc/54/74/73/1225547473.db2.gz UFVHKSYPVVWMNJ-IAGOWNOFSA-N 2 2 360.502 0.531 20 0 FCADLP 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C[C@@H]1[C@H](C(=O)N2CCC3(C[C@@H]3NC(=O)Cn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC000964132615 1214899921 /nfs/dbraw/zinc/89/99/21/1214899921.db2.gz QDAPMQFYCLLAJQ-OAGGEKHMSA-N 2 2 359.474 0.721 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC000966001876 1215158917 /nfs/dbraw/zinc/15/89/17/1215158917.db2.gz SCAMMXSBYRRCOC-FPCVCCKLSA-N 2 2 361.490 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)CC2(C)C)CC[N@@H+]1C ZINC000967042900 1215195089 /nfs/dbraw/zinc/19/50/89/1215195089.db2.gz DJJKEJBQEKVMGA-OAGGEKHMSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)CC2(C)C)CC[N@H+]1C ZINC000967042900 1215195091 /nfs/dbraw/zinc/19/50/91/1215195091.db2.gz DJJKEJBQEKVMGA-OAGGEKHMSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000967692242 1215255422 /nfs/dbraw/zinc/25/54/22/1215255422.db2.gz UHELGUAVBXOLOB-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000967692242 1215255425 /nfs/dbraw/zinc/25/54/25/1215255425.db2.gz UHELGUAVBXOLOB-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000968091384 1215283690 /nfs/dbraw/zinc/28/36/90/1215283690.db2.gz CHZRXSANCJBAPM-HUUCEWRRSA-N 2 2 357.458 0.668 20 0 FCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000968091384 1215283694 /nfs/dbraw/zinc/28/36/94/1215283694.db2.gz CHZRXSANCJBAPM-HUUCEWRRSA-N 2 2 357.458 0.668 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222094152 1225598491 /nfs/dbraw/zinc/59/84/91/1225598491.db2.gz XFIVUIQHZAPZJB-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001222094152 1225598495 /nfs/dbraw/zinc/59/84/95/1225598495.db2.gz XFIVUIQHZAPZJB-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP 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CC(C)c1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624575 1216469818 /nfs/dbraw/zinc/46/98/18/1216469818.db2.gz RSRRDHWSYADDSL-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624660 1216470069 /nfs/dbraw/zinc/47/00/69/1216470069.db2.gz SFKDGDRJAGWPIW-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCO2)n1 ZINC001051624660 1216470071 /nfs/dbraw/zinc/47/00/71/1216470071.db2.gz SFKDGDRJAGWPIW-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCO2)cc1=O ZINC001051663324 1216472491 /nfs/dbraw/zinc/47/24/91/1216472491.db2.gz CSROECSZTLRQKR-ARFHVFGLSA-N 2 2 371.441 0.229 20 0 FCADLP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCO2)cc1=O ZINC001051663324 1216472499 /nfs/dbraw/zinc/47/24/99/1216472499.db2.gz CSROECSZTLRQKR-ARFHVFGLSA-N 2 2 371.441 0.229 20 0 FCADLP 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Cc1cnc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489946 1216561505 /nfs/dbraw/zinc/56/15/05/1216561505.db2.gz RRXDQFUKDXTFDG-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489946 1216561510 /nfs/dbraw/zinc/56/15/10/1216561510.db2.gz RRXDQFUKDXTFDG-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489946 1216561514 /nfs/dbraw/zinc/56/15/14/1216561514.db2.gz RRXDQFUKDXTFDG-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489943 1216561969 /nfs/dbraw/zinc/56/19/69/1216561969.db2.gz RRXDQFUKDXTFDG-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[NH+]2CCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489943 1216561973 /nfs/dbraw/zinc/56/19/73/1216561973.db2.gz RRXDQFUKDXTFDG-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489943 1216561980 /nfs/dbraw/zinc/56/19/80/1216561980.db2.gz RRXDQFUKDXTFDG-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)cn1 ZINC001052489943 1216561987 /nfs/dbraw/zinc/56/19/87/1216561987.db2.gz RRXDQFUKDXTFDG-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000827439726 1216600371 /nfs/dbraw/zinc/60/03/71/1216600371.db2.gz IABXPAOUKBETBQ-LJQANCHMSA-N 2 2 364.534 0.868 20 0 FCADLP CN1CC[NH+](C2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000827439726 1216600374 /nfs/dbraw/zinc/60/03/74/1216600374.db2.gz IABXPAOUKBETBQ-LJQANCHMSA-N 2 2 364.534 0.868 20 0 FCADLP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH+](C)C ZINC001057971171 1216617424 /nfs/dbraw/zinc/61/74/24/1216617424.db2.gz WSUKUKNUNOQCLJ-IIAWOOMASA-N 2 2 365.478 0.037 20 0 FCADLP 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FCADLP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)c1cc2c[nH+]ccc2[nH]1 ZINC001069959212 1216868033 /nfs/dbraw/zinc/86/80/33/1216868033.db2.gz KNSZCLVXQKSAIN-CVEARBPZSA-N 2 2 355.402 0.192 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964203 1216870940 /nfs/dbraw/zinc/87/09/40/1216870940.db2.gz ZXGLJEOJQFTBGX-XKQJLSEDSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964203 1216870941 /nfs/dbraw/zinc/87/09/41/1216870941.db2.gz ZXGLJEOJQFTBGX-XKQJLSEDSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964203 1216870942 /nfs/dbraw/zinc/87/09/42/1216870942.db2.gz ZXGLJEOJQFTBGX-XKQJLSEDSA-N 2 2 357.462 0.866 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964203 1216870945 /nfs/dbraw/zinc/87/09/45/1216870945.db2.gz ZXGLJEOJQFTBGX-XKQJLSEDSA-N 2 2 357.462 0.866 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2n2ccnn2)no1 ZINC001069965779 1216872130 /nfs/dbraw/zinc/87/21/30/1216872130.db2.gz FRILSWNQLTULCG-CVEARBPZSA-N 2 2 359.434 0.393 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)no1 ZINC001069965779 1216872134 /nfs/dbraw/zinc/87/21/34/1216872134.db2.gz FRILSWNQLTULCG-CVEARBPZSA-N 2 2 359.434 0.393 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070027038 1216905621 /nfs/dbraw/zinc/90/56/21/1216905621.db2.gz OMRXSTRMRYCMJW-ANQUJSFKSA-N 2 2 355.446 0.567 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001070027038 1216905624 /nfs/dbraw/zinc/90/56/24/1216905624.db2.gz OMRXSTRMRYCMJW-ANQUJSFKSA-N 2 2 355.446 0.567 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027016 1216905872 /nfs/dbraw/zinc/90/58/72/1216905872.db2.gz NNLPNWPUFYVMDH-JQHSSLGASA-N 2 2 369.473 0.699 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027016 1216905874 /nfs/dbraw/zinc/90/58/74/1216905874.db2.gz NNLPNWPUFYVMDH-JQHSSLGASA-N 2 2 369.473 0.699 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027016 1216905878 /nfs/dbraw/zinc/90/58/78/1216905878.db2.gz NNLPNWPUFYVMDH-JQHSSLGASA-N 2 2 369.473 0.699 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001070027016 1216905882 /nfs/dbraw/zinc/90/58/82/1216905882.db2.gz NNLPNWPUFYVMDH-JQHSSLGASA-N 2 2 369.473 0.699 20 0 FCADLP CC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001276901361 1225717231 /nfs/dbraw/zinc/71/72/31/1225717231.db2.gz PTXCROIWSGKGFZ-AEFFLSMTSA-N 2 2 364.534 0.820 20 0 FCADLP CC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276901361 1225717233 /nfs/dbraw/zinc/71/72/33/1225717233.db2.gz PTXCROIWSGKGFZ-AEFFLSMTSA-N 2 2 364.534 0.820 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)nc(C)[nH+]1 ZINC001041250274 1217254057 /nfs/dbraw/zinc/25/40/57/1217254057.db2.gz CMIGPSQBDZRVKP-HZPDHXFCSA-N 2 2 352.398 0.721 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC001041288002 1217268546 /nfs/dbraw/zinc/26/85/46/1217268546.db2.gz YXXAJDSFLYCVIM-HUUCEWRRSA-N 2 2 361.490 0.888 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)nc(C)[nH+]1 ZINC001041443053 1217335968 /nfs/dbraw/zinc/33/59/68/1217335968.db2.gz BAKKWWKDPHQKOQ-HZPDHXFCSA-N 2 2 352.398 0.721 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001042362148 1217411017 /nfs/dbraw/zinc/41/10/17/1217411017.db2.gz ADIGVESCHQUQQH-CXAGYDPISA-N 2 2 369.473 0.611 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001042362148 1217411022 /nfs/dbraw/zinc/41/10/22/1217411022.db2.gz ADIGVESCHQUQQH-CXAGYDPISA-N 2 2 369.473 0.611 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2OC)C1 ZINC001042838983 1217479186 /nfs/dbraw/zinc/47/91/86/1217479186.db2.gz BMEUTPFTVCJFOZ-BZUAXINKSA-N 2 2 363.462 0.134 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2OC)C1 ZINC001042838983 1217479188 /nfs/dbraw/zinc/47/91/88/1217479188.db2.gz BMEUTPFTVCJFOZ-BZUAXINKSA-N 2 2 363.462 0.134 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)cc(C)[nH+]1 ZINC001042929286 1217519771 /nfs/dbraw/zinc/51/97/71/1217519771.db2.gz CTLCCWUIVMEGOI-HUUCEWRRSA-N 2 2 358.446 0.872 20 0 FCADLP Cn1[nH]c(C[N@@H+]2CC[C@@H]3CCN(C(=O)CCCC[NH+](C)C)C[C@@H]32)nc1=O ZINC001223955220 1225749657 /nfs/dbraw/zinc/74/96/57/1225749657.db2.gz KHZNVTVREIDYGP-CABCVRRESA-N 2 2 364.494 0.263 20 0 FCADLP Cn1[nH]c(C[N@H+]2CC[C@@H]3CCN(C(=O)CCCC[NH+](C)C)C[C@@H]32)nc1=O ZINC001223955220 1225749661 /nfs/dbraw/zinc/74/96/61/1225749661.db2.gz KHZNVTVREIDYGP-CABCVRRESA-N 2 2 364.494 0.263 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@H](O)Cc3ccccc3)C2)O1 ZINC001043067308 1217569925 /nfs/dbraw/zinc/56/99/25/1217569925.db2.gz MADUGSOAAQTARH-ATZDWAIDSA-N 2 2 361.486 0.452 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](C[C@H](O)Cc3ccccc3)C2)O1 ZINC001043067308 1217569933 /nfs/dbraw/zinc/56/99/33/1217569933.db2.gz MADUGSOAAQTARH-ATZDWAIDSA-N 2 2 361.486 0.452 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037083 1225753420 /nfs/dbraw/zinc/75/34/20/1225753420.db2.gz PXFMFKKABCFKHS-AEFFLSMTSA-N 2 2 364.490 0.939 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224037083 1225753423 /nfs/dbraw/zinc/75/34/23/1225753423.db2.gz PXFMFKKABCFKHS-AEFFLSMTSA-N 2 2 364.490 0.939 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001043250054 1217609612 /nfs/dbraw/zinc/60/96/12/1217609612.db2.gz CABSDJHMYYUCNL-BPLDGKMQSA-N 2 2 361.494 0.847 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001043250054 1217609616 /nfs/dbraw/zinc/60/96/16/1217609616.db2.gz CABSDJHMYYUCNL-BPLDGKMQSA-N 2 2 361.494 0.847 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@@H+]1C ZINC001043763457 1217735982 /nfs/dbraw/zinc/73/59/82/1217735982.db2.gz VZJLWFLAVTYWRG-TZMCWYRMSA-N 2 2 371.441 0.206 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC[N@H+]1C ZINC001043763457 1217735983 /nfs/dbraw/zinc/73/59/83/1217735983.db2.gz VZJLWFLAVTYWRG-TZMCWYRMSA-N 2 2 371.441 0.206 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)nc(C)[nH+]1 ZINC001044327037 1217835290 /nfs/dbraw/zinc/83/52/90/1217835290.db2.gz NZXLOHIOBYUZCK-SJORKVTESA-N 2 2 366.425 0.975 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044327524 1217835511 /nfs/dbraw/zinc/83/55/11/1217835511.db2.gz SEPMEGBDDPLYBQ-CVEARBPZSA-N 2 2 366.425 0.975 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044547966 1217854427 /nfs/dbraw/zinc/85/44/27/1217854427.db2.gz SEXFZWZZKVUKDV-BMFZPTHFSA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001044547966 1217854432 /nfs/dbraw/zinc/85/44/32/1217854432.db2.gz SEXFZWZZKVUKDV-BMFZPTHFSA-N 2 2 361.490 0.916 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044772078 1217879542 /nfs/dbraw/zinc/87/95/42/1217879542.db2.gz MCAZSEHCBNIXGB-OAGGEKHMSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044772078 1217879544 /nfs/dbraw/zinc/87/95/44/1217879544.db2.gz MCAZSEHCBNIXGB-OAGGEKHMSA-N 2 2 359.474 0.812 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1C ZINC001045209610 1217911640 /nfs/dbraw/zinc/91/16/40/1217911640.db2.gz IQJPMUJPUKGCJF-RRFJBIMHSA-N 2 2 371.489 0.995 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020437 1217922355 /nfs/dbraw/zinc/92/23/55/1217922355.db2.gz FREXASGWKFTDSX-SQNIBIBYSA-N 2 2 358.486 0.872 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020437 1217922359 /nfs/dbraw/zinc/92/23/59/1217922359.db2.gz FREXASGWKFTDSX-SQNIBIBYSA-N 2 2 358.486 0.872 20 0 FCADLP CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000900674640 1218022563 /nfs/dbraw/zinc/02/25/63/1218022563.db2.gz LGIKRNHJDGWQEO-HNNXBMFYSA-N 2 2 362.474 0.366 20 0 FCADLP CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000900674640 1218022567 /nfs/dbraw/zinc/02/25/67/1218022567.db2.gz LGIKRNHJDGWQEO-HNNXBMFYSA-N 2 2 362.474 0.366 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693582 1218024770 /nfs/dbraw/zinc/02/47/70/1218024770.db2.gz XIQLAXQDFBUAPM-DLBZAZTESA-N 2 2 368.522 0.261 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000900693582 1218024775 /nfs/dbraw/zinc/02/47/75/1218024775.db2.gz XIQLAXQDFBUAPM-DLBZAZTESA-N 2 2 368.522 0.261 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420567 1218034654 /nfs/dbraw/zinc/03/46/54/1218034654.db2.gz GQUSMMLVGPBXGA-MDZRGWNJSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420567 1218034657 /nfs/dbraw/zinc/03/46/57/1218034657.db2.gz GQUSMMLVGPBXGA-MDZRGWNJSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420567 1218034661 /nfs/dbraw/zinc/03/46/61/1218034661.db2.gz GQUSMMLVGPBXGA-MDZRGWNJSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCCCC3)C2)O1 ZINC001046420567 1218034663 /nfs/dbraw/zinc/03/46/63/1218034663.db2.gz GQUSMMLVGPBXGA-MDZRGWNJSA-N 2 2 366.506 0.299 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900810784 1218041296 /nfs/dbraw/zinc/04/12/96/1218041296.db2.gz INXZSGHQGOREKX-SWLSCSKDSA-N 2 2 359.478 0.587 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900810784 1218041300 /nfs/dbraw/zinc/04/13/00/1218041300.db2.gz INXZSGHQGOREKX-SWLSCSKDSA-N 2 2 359.478 0.587 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000900843886 1218044948 /nfs/dbraw/zinc/04/49/48/1218044948.db2.gz MKYBIKNHGJIYOE-LJQANCHMSA-N 2 2 366.550 0.973 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842010 1218045388 /nfs/dbraw/zinc/04/53/88/1218045388.db2.gz GBEMIRSGEQUJNL-IRXDYDNUSA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842010 1218045392 /nfs/dbraw/zinc/04/53/92/1218045392.db2.gz GBEMIRSGEQUJNL-IRXDYDNUSA-N 2 2 367.490 0.442 20 0 FCADLP C[C@H]1CN(C(=O)c2cnc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cn2)CC[NH+]1C ZINC000900846608 1218046370 /nfs/dbraw/zinc/04/63/70/1218046370.db2.gz IOFNRZWZUYETAN-KBPBESRZSA-N 2 2 360.462 0.029 20 0 FCADLP C[C@H]1CN(C(=O)c2cnc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cn2)CC[NH+]1C ZINC000900846608 1218046374 /nfs/dbraw/zinc/04/63/74/1218046374.db2.gz IOFNRZWZUYETAN-KBPBESRZSA-N 2 2 360.462 0.029 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3nccnc3C)C[C@@H]2O)CC[N@@H+]1C ZINC001047386030 1218138106 /nfs/dbraw/zinc/13/81/06/1218138106.db2.gz KIIVRCKWMLNFGL-RANZSIQMSA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[NH+](Cc3nccnc3C)C[C@@H]2O)CC[N@H+]1C ZINC001047386030 1218138112 /nfs/dbraw/zinc/13/81/12/1218138112.db2.gz KIIVRCKWMLNFGL-RANZSIQMSA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@H+](Cc3nccnc3C)C[C@@H]2O)CC[NH+]1C ZINC001047386030 1218138116 /nfs/dbraw/zinc/13/81/16/1218138116.db2.gz KIIVRCKWMLNFGL-RANZSIQMSA-N 2 2 361.490 0.519 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3nccnc3C)C[C@@H]2O)CC[NH+]1C ZINC001047386030 1218138120 /nfs/dbraw/zinc/13/81/20/1218138120.db2.gz KIIVRCKWMLNFGL-RANZSIQMSA-N 2 2 361.490 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001096435001 1218332356 /nfs/dbraw/zinc/33/23/56/1218332356.db2.gz RUKHQHANVZCTQM-JHNDHUHGSA-N 2 2 359.474 0.898 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001096435001 1218332362 /nfs/dbraw/zinc/33/23/62/1218332362.db2.gz RUKHQHANVZCTQM-JHNDHUHGSA-N 2 2 359.474 0.898 20 0 FCADLP Cc1noc([C@@H](C)[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888115 1218334443 /nfs/dbraw/zinc/33/44/43/1218334443.db2.gz ICBOLWHKVKODDL-LKAFINOVSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1noc([C@@H](C)[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888115 1218334449 /nfs/dbraw/zinc/33/44/49/1218334449.db2.gz ICBOLWHKVKODDL-LKAFINOVSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1noc([C@@H](C)[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888115 1218334456 /nfs/dbraw/zinc/33/44/56/1218334456.db2.gz ICBOLWHKVKODDL-LKAFINOVSA-N 2 2 363.462 0.548 20 0 FCADLP Cc1noc([C@@H](C)[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048888115 1218334461 /nfs/dbraw/zinc/33/44/61/1218334461.db2.gz ICBOLWHKVKODDL-LKAFINOVSA-N 2 2 363.462 0.548 20 0 FCADLP C[C@@H](c1ncccn1)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890016 1218335955 /nfs/dbraw/zinc/33/59/55/1218335955.db2.gz DBVZPWBVBLKZTF-BPKGMFCQSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H](c1ncccn1)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890016 1218335960 /nfs/dbraw/zinc/33/59/60/1218335960.db2.gz DBVZPWBVBLKZTF-BPKGMFCQSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H](c1ncccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890016 1218335967 /nfs/dbraw/zinc/33/59/67/1218335967.db2.gz DBVZPWBVBLKZTF-BPKGMFCQSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H](c1ncccn1)[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890016 1218335974 /nfs/dbraw/zinc/33/59/74/1218335974.db2.gz DBVZPWBVBLKZTF-BPKGMFCQSA-N 2 2 359.474 0.647 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225947074 1225829051 /nfs/dbraw/zinc/82/90/51/1225829051.db2.gz OUOVCWJNUNXYDO-HUUCEWRRSA-N 2 2 365.478 0.512 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097341653 1218782055 /nfs/dbraw/zinc/78/20/55/1218782055.db2.gz WBAHUKHWVDZFTP-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097341653 1218782058 /nfs/dbraw/zinc/78/20/58/1218782058.db2.gz WBAHUKHWVDZFTP-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001097341653 1218782062 /nfs/dbraw/zinc/78/20/62/1218782062.db2.gz WBAHUKHWVDZFTP-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001097341653 1218782067 /nfs/dbraw/zinc/78/20/67/1218782067.db2.gz WBAHUKHWVDZFTP-NCOADZHNSA-N 2 2 364.490 0.051 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001226565311 1225847034 /nfs/dbraw/zinc/84/70/34/1225847034.db2.gz ZYMMTLJYRILJSI-MGPQQGTHSA-N 2 2 370.473 0.305 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507927 1218813528 /nfs/dbraw/zinc/81/35/28/1218813528.db2.gz PHNTXDWNOAHSOR-WNOSKKOXSA-N 2 2 368.441 0.737 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097507927 1218813529 /nfs/dbraw/zinc/81/35/29/1218813529.db2.gz PHNTXDWNOAHSOR-WNOSKKOXSA-N 2 2 368.441 0.737 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001052957163 1218869021 /nfs/dbraw/zinc/86/90/21/1218869021.db2.gz CPVBWWIAIUACIA-ZIAGYGMSSA-N 2 2 369.473 0.648 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696416 1225852771 /nfs/dbraw/zinc/85/27/71/1225852771.db2.gz GNQZVEHGHXTYGI-BRWVUGGUSA-N 2 2 368.478 0.383 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696416 1225852773 /nfs/dbraw/zinc/85/27/73/1225852773.db2.gz GNQZVEHGHXTYGI-BRWVUGGUSA-N 2 2 368.478 0.383 20 0 FCADLP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccn1 ZINC001226781977 1225854273 /nfs/dbraw/zinc/85/42/73/1225854273.db2.gz GMYSJTNXDFWNPI-ZACQAIPSSA-N 2 2 371.489 0.821 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227164784 1225864985 /nfs/dbraw/zinc/86/49/85/1225864985.db2.gz GUMMNSIUFOOIEO-DJIMGWMZSA-N 2 2 361.490 0.941 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001227176191 1225865437 /nfs/dbraw/zinc/86/54/37/1225865437.db2.gz UZCFLFQZKPUMAC-ARFHVFGLSA-N 2 2 361.490 0.941 20 0 FCADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052995 1219105623 /nfs/dbraw/zinc/10/56/23/1219105623.db2.gz GTRDUQKUSLBHGH-CVEARBPZSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000804052995 1219105628 /nfs/dbraw/zinc/10/56/28/1219105628.db2.gz GTRDUQKUSLBHGH-CVEARBPZSA-N 2 2 361.446 0.026 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113153 1219118089 /nfs/dbraw/zinc/11/80/89/1219118089.db2.gz JYXDVGAAGQSBDM-VQHPVUNQSA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113153 1219118093 /nfs/dbraw/zinc/11/80/93/1219118093.db2.gz JYXDVGAAGQSBDM-VQHPVUNQSA-N 2 2 368.441 0.866 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](n2ccnn2)C1 ZINC001070069187 1219132726 /nfs/dbraw/zinc/13/27/26/1219132726.db2.gz NGZUUKMPZDGSSR-SJORKVTESA-N 2 2 366.429 0.924 20 0 FCADLP CCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](n2ccnn2)C1 ZINC001070069187 1219132729 /nfs/dbraw/zinc/13/27/29/1219132729.db2.gz NGZUUKMPZDGSSR-SJORKVTESA-N 2 2 366.429 0.924 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n4ccnn4)C3)ccn12 ZINC001070195017 1219287095 /nfs/dbraw/zinc/28/70/95/1219287095.db2.gz ZWIQCCHYNBUPFP-BMFZPTHFSA-N 2 2 369.429 0.270 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220939 1219303461 /nfs/dbraw/zinc/30/34/61/1219303461.db2.gz UMUPWKYBZIHGAX-OIISXLGYSA-N 2 2 355.446 0.489 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001070235096 1219310954 /nfs/dbraw/zinc/31/09/54/1219310954.db2.gz ZQNVDOROQJRQJC-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070241376 1219312884 /nfs/dbraw/zinc/31/28/84/1219312884.db2.gz CTMAOGZUDJGFQK-IXDOHACOSA-N 2 2 364.494 0.529 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070241376 1219312885 /nfs/dbraw/zinc/31/28/85/1219312885.db2.gz CTMAOGZUDJGFQK-IXDOHACOSA-N 2 2 364.494 0.529 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1n1ccnn1 ZINC001070241479 1219312998 /nfs/dbraw/zinc/31/29/98/1219312998.db2.gz ICZHBDGCWPJCDI-IKGGRYGDSA-N 2 2 362.478 0.140 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1n1ccnn1 ZINC001070241479 1219313003 /nfs/dbraw/zinc/31/30/03/1219313003.db2.gz ICZHBDGCWPJCDI-IKGGRYGDSA-N 2 2 362.478 0.140 20 0 FCADLP COc1cnc(C[N@@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001277237911 1225884272 /nfs/dbraw/zinc/88/42/72/1225884272.db2.gz DKYQYLYFVAJMQF-GOSISDBHSA-N 2 2 356.430 0.843 20 0 FCADLP COc1cnc(C[N@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)cn1 ZINC001277237911 1225884273 /nfs/dbraw/zinc/88/42/73/1225884273.db2.gz DKYQYLYFVAJMQF-GOSISDBHSA-N 2 2 356.430 0.843 20 0 FCADLP COc1cnc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001277239136 1225884756 /nfs/dbraw/zinc/88/47/56/1225884756.db2.gz KXIHWDXJDGQBPT-GOSISDBHSA-N 2 2 363.462 0.098 20 0 FCADLP COc1cnc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001277239136 1225884759 /nfs/dbraw/zinc/88/47/59/1225884759.db2.gz KXIHWDXJDGQBPT-GOSISDBHSA-N 2 2 363.462 0.098 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nocc2C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070276761 1219343723 /nfs/dbraw/zinc/34/37/23/1219343723.db2.gz YVJYQTLXLBUXJH-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070284444 1219349340 /nfs/dbraw/zinc/34/93/40/1219349340.db2.gz CTAGHXFAAGRURF-CVEARBPZSA-N 2 2 359.434 0.012 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2n2ccnn2)o1 ZINC001070328078 1219378356 /nfs/dbraw/zinc/37/83/56/1219378356.db2.gz MHBOGFKYBFBANL-CVEARBPZSA-N 2 2 359.434 0.212 20 0 FCADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070334656 1219383635 /nfs/dbraw/zinc/38/36/35/1219383635.db2.gz JSTDLVHKADHJCG-IKGGRYGDSA-N 2 2 357.462 0.726 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1cccnc1 ZINC001070334924 1219384366 /nfs/dbraw/zinc/38/43/66/1219384366.db2.gz WZLNQRCHNAZNCA-PMPSAXMXSA-N 2 2 361.425 0.287 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001070337934 1219386133 /nfs/dbraw/zinc/38/61/33/1219386133.db2.gz NADWXOKMFZHSPA-XHSDSOJGSA-N 2 2 359.434 0.085 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070338326 1219386701 /nfs/dbraw/zinc/38/67/01/1219386701.db2.gz YCQGPUKKWLMFGT-KGLIPLIRSA-N 2 2 365.388 0.562 20 0 FCADLP CC(C)[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001070381573 1219406511 /nfs/dbraw/zinc/40/65/11/1219406511.db2.gz IPUGSGCLNSPSIS-APWZRJJASA-N 2 2 361.490 0.846 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953608 1225891937 /nfs/dbraw/zinc/89/19/37/1225891937.db2.gz JHTFWFZLKUTWOQ-IJEWVQPXSA-N 2 2 368.522 0.589 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953608 1225891938 /nfs/dbraw/zinc/89/19/38/1225891938.db2.gz JHTFWFZLKUTWOQ-IJEWVQPXSA-N 2 2 368.522 0.589 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2ccns2)c1 ZINC001070540664 1219459972 /nfs/dbraw/zinc/45/99/72/1219459972.db2.gz CJOULVBSOCCTSF-GOEBONIOSA-N 2 2 371.470 0.927 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070563920 1219470919 /nfs/dbraw/zinc/47/09/19/1219470919.db2.gz LSNJIBCGVFLVJE-HLLBOEOZSA-N 2 2 369.473 0.246 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001070563920 1219470921 /nfs/dbraw/zinc/47/09/21/1219470921.db2.gz LSNJIBCGVFLVJE-HLLBOEOZSA-N 2 2 369.473 0.246 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001228157930 1225897653 /nfs/dbraw/zinc/89/76/53/1225897653.db2.gz JOTLMEDQOGZARF-BRWVUGGUSA-N 2 2 366.506 0.393 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001228157930 1225897656 /nfs/dbraw/zinc/89/76/56/1225897656.db2.gz JOTLMEDQOGZARF-BRWVUGGUSA-N 2 2 366.506 0.393 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2cn(C)cn2)o1 ZINC001070570615 1219474570 /nfs/dbraw/zinc/47/45/70/1219474570.db2.gz ZIQJRTDJCOWTMI-DOTOQJQBSA-N 2 2 369.429 0.697 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070695112 1219529293 /nfs/dbraw/zinc/52/92/93/1219529293.db2.gz PJWDRFYPBBBZTJ-IAGOWNOFSA-N 2 2 365.441 0.865 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071066898 1219598439 /nfs/dbraw/zinc/59/84/39/1219598439.db2.gz YPFDJWMJTLYSRM-NUJGCVRESA-N 2 2 362.474 0.424 20 0 FCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071065378 1219598614 /nfs/dbraw/zinc/59/86/14/1219598614.db2.gz PTPNHRLBLRINCF-NXHRZFHOSA-N 2 2 362.474 0.424 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1)C(N)=O ZINC001071076938 1219600627 /nfs/dbraw/zinc/60/06/27/1219600627.db2.gz OUBVOOVUTSPMKB-LXZKKBNFSA-N 2 2 363.462 0.133 20 0 FCADLP Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)nc1 ZINC001072851033 1219625241 /nfs/dbraw/zinc/62/52/41/1219625241.db2.gz IHCVUKRPOONATC-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)nc1 ZINC001072851033 1219625245 /nfs/dbraw/zinc/62/52/45/1219625245.db2.gz IHCVUKRPOONATC-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)nc1 ZINC001072851033 1219625247 /nfs/dbraw/zinc/62/52/47/1219625247.db2.gz IHCVUKRPOONATC-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cnc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)nc1 ZINC001072851033 1219625249 /nfs/dbraw/zinc/62/52/49/1219625249.db2.gz IHCVUKRPOONATC-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C3)C2)C1=O ZINC001072994822 1219630937 /nfs/dbraw/zinc/63/09/37/1219630937.db2.gz UJQDGJRAVYDOPV-OAGGEKHMSA-N 2 2 371.485 0.679 20 0 FCADLP CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C3)C2)C1=O ZINC001072994822 1219630940 /nfs/dbraw/zinc/63/09/40/1219630940.db2.gz UJQDGJRAVYDOPV-OAGGEKHMSA-N 2 2 371.485 0.679 20 0 FCADLP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001228342318 1225912172 /nfs/dbraw/zinc/91/21/72/1225912172.db2.gz XEXIQKKIRPOLRR-ZACQAIPSSA-N 2 2 365.478 0.510 20 0 FCADLP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001228342318 1225912181 /nfs/dbraw/zinc/91/21/81/1225912181.db2.gz XEXIQKKIRPOLRR-ZACQAIPSSA-N 2 2 365.478 0.510 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709779 1219717819 /nfs/dbraw/zinc/71/78/19/1219717819.db2.gz QCEGIUCSVIYCDZ-BFJAYTPKSA-N 2 2 364.494 0.405 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709779 1219717820 /nfs/dbraw/zinc/71/78/20/1219717820.db2.gz QCEGIUCSVIYCDZ-BFJAYTPKSA-N 2 2 364.494 0.405 20 0 FCADLP Cc1nnc(C[NH+](CCO)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001098371079 1219768297 /nfs/dbraw/zinc/76/82/97/1219768297.db2.gz HJDZBPPPWQTODL-CZUORRHYSA-N 2 2 364.494 0.239 20 0 FCADLP Cc1nnc(C[NH+](CCO)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001098371079 1219768300 /nfs/dbraw/zinc/76/83/00/1219768300.db2.gz HJDZBPPPWQTODL-CZUORRHYSA-N 2 2 364.494 0.239 20 0 FCADLP Cc1nnc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)[nH]1 ZINC001098371079 1219768305 /nfs/dbraw/zinc/76/83/05/1219768305.db2.gz HJDZBPPPWQTODL-CZUORRHYSA-N 2 2 364.494 0.239 20 0 FCADLP Cc1nnc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)[nH]1 ZINC001098371079 1219768308 /nfs/dbraw/zinc/76/83/08/1219768308.db2.gz HJDZBPPPWQTODL-CZUORRHYSA-N 2 2 364.494 0.239 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001098400709 1219773971 /nfs/dbraw/zinc/77/39/71/1219773971.db2.gz KILBRXIFFQOLEJ-OAGGEKHMSA-N 2 2 370.457 0.340 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001098400709 1219773978 /nfs/dbraw/zinc/77/39/78/1219773978.db2.gz KILBRXIFFQOLEJ-OAGGEKHMSA-N 2 2 370.457 0.340 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001098445943 1219783051 /nfs/dbraw/zinc/78/30/51/1219783051.db2.gz YIZLJNIPDHRAMP-ZJPYXAASSA-N 2 2 361.490 0.671 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cn(C)nc2C)C1 ZINC001098445943 1219783056 /nfs/dbraw/zinc/78/30/56/1219783056.db2.gz YIZLJNIPDHRAMP-ZJPYXAASSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cn(C)nc2C)C1 ZINC001098445943 1219783060 /nfs/dbraw/zinc/78/30/60/1219783060.db2.gz YIZLJNIPDHRAMP-ZJPYXAASSA-N 2 2 361.490 0.671 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cn(C)nc2C)C1 ZINC001098445943 1219783064 /nfs/dbraw/zinc/78/30/64/1219783064.db2.gz YIZLJNIPDHRAMP-ZJPYXAASSA-N 2 2 361.490 0.671 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774262 1219824063 /nfs/dbraw/zinc/82/40/63/1219824063.db2.gz XWUAVKSECKFNGT-IEZWGBDMSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774262 1219824065 /nfs/dbraw/zinc/82/40/65/1219824065.db2.gz XWUAVKSECKFNGT-IEZWGBDMSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098774262 1219824066 /nfs/dbraw/zinc/82/40/66/1219824066.db2.gz XWUAVKSECKFNGT-IEZWGBDMSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098774262 1219824069 /nfs/dbraw/zinc/82/40/69/1219824069.db2.gz XWUAVKSECKFNGT-IEZWGBDMSA-N 2 2 361.490 0.264 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111466166 1219913127 /nfs/dbraw/zinc/91/31/27/1219913127.db2.gz KSLFBRZCVPOWCU-OAGGEKHMSA-N 2 2 372.473 0.584 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111466166 1219913128 /nfs/dbraw/zinc/91/31/28/1219913128.db2.gz KSLFBRZCVPOWCU-OAGGEKHMSA-N 2 2 372.473 0.584 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111466166 1219913131 /nfs/dbraw/zinc/91/31/31/1219913131.db2.gz KSLFBRZCVPOWCU-OAGGEKHMSA-N 2 2 372.473 0.584 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001111466166 1219913134 /nfs/dbraw/zinc/91/31/34/1219913134.db2.gz KSLFBRZCVPOWCU-OAGGEKHMSA-N 2 2 372.473 0.584 20 0 FCADLP CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001099122088 1219921592 /nfs/dbraw/zinc/92/15/92/1219921592.db2.gz UKTDUKONBTXQQQ-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001099122088 1219921595 /nfs/dbraw/zinc/92/15/95/1219921595.db2.gz UKTDUKONBTXQQQ-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCNC(=O)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001099122088 1219921599 /nfs/dbraw/zinc/92/15/99/1219921599.db2.gz UKTDUKONBTXQQQ-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CCNC(=O)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001099122088 1219921602 /nfs/dbraw/zinc/92/16/02/1219921602.db2.gz UKTDUKONBTXQQQ-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnnn2C)C3)C1 ZINC001099172042 1219939162 /nfs/dbraw/zinc/93/91/62/1219939162.db2.gz QAEZCFKEFKFVFR-LESCRADOSA-N 2 2 362.478 0.007 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2cnnn2C)C3)C1 ZINC001099172042 1219939164 /nfs/dbraw/zinc/93/91/64/1219939164.db2.gz QAEZCFKEFKFVFR-LESCRADOSA-N 2 2 362.478 0.007 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnnn2C)C3)C1 ZINC001099172042 1219939168 /nfs/dbraw/zinc/93/91/68/1219939168.db2.gz QAEZCFKEFKFVFR-LESCRADOSA-N 2 2 362.478 0.007 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnnn2C)C3)C1 ZINC001099172042 1219939172 /nfs/dbraw/zinc/93/91/72/1219939172.db2.gz QAEZCFKEFKFVFR-LESCRADOSA-N 2 2 362.478 0.007 20 0 FCADLP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001099325685 1219967398 /nfs/dbraw/zinc/96/73/98/1219967398.db2.gz VGUIQKVLHRRRQM-CHWSQXEVSA-N 2 2 370.379 0.907 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001099465101 1220006872 /nfs/dbraw/zinc/00/68/72/1220006872.db2.gz WZCOIVORQXJZJD-YOEHRIQHSA-N 2 2 358.450 0.134 20 0 FCADLP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]cn2C)C3)nn1 ZINC001099525686 1220023898 /nfs/dbraw/zinc/02/38/98/1220023898.db2.gz QNXDOQFTDKWYPR-KXBFYZLASA-N 2 2 371.489 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001099531801 1220024474 /nfs/dbraw/zinc/02/44/74/1220024474.db2.gz MUFXRXJXSMVROX-KHYOSLBOSA-N 2 2 359.474 0.710 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncn2C)C1 ZINC001099532163 1220024787 /nfs/dbraw/zinc/02/47/87/1220024787.db2.gz QXVAOEAMAVJWIL-KSSFIOAISA-N 2 2 357.462 0.808 20 0 FCADLP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001099768049 1220034739 /nfs/dbraw/zinc/03/47/39/1220034739.db2.gz VBJSSCGGEFUPCP-YRGRVCCFSA-N 2 2 361.450 0.389 20 0 FCADLP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)Nc1[nH+]cnc2c1cnn2C ZINC001099768049 1220034742 /nfs/dbraw/zinc/03/47/42/1220034742.db2.gz VBJSSCGGEFUPCP-YRGRVCCFSA-N 2 2 361.450 0.389 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4(CNC(=O)C4)CC3)C2)CC1 ZINC000752013746 1220056925 /nfs/dbraw/zinc/05/69/25/1220056925.db2.gz HMFPPUXCUXHSRN-HNNXBMFYSA-N 2 2 363.506 0.467 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(CNC(=O)C4)CC3)C2)CC1 ZINC000752013746 1220056931 /nfs/dbraw/zinc/05/69/31/1220056931.db2.gz HMFPPUXCUXHSRN-HNNXBMFYSA-N 2 2 363.506 0.467 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277289 1220263164 /nfs/dbraw/zinc/26/31/64/1220263164.db2.gz ANJPERVGDRPZJS-NNFUDEMPSA-N 2 2 366.506 0.012 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277289 1220263167 /nfs/dbraw/zinc/26/31/67/1220263167.db2.gz ANJPERVGDRPZJS-NNFUDEMPSA-N 2 2 366.506 0.012 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277289 1220263172 /nfs/dbraw/zinc/26/31/72/1220263172.db2.gz ANJPERVGDRPZJS-NNFUDEMPSA-N 2 2 366.506 0.012 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277289 1220263175 /nfs/dbraw/zinc/26/31/75/1220263175.db2.gz ANJPERVGDRPZJS-NNFUDEMPSA-N 2 2 366.506 0.012 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)n1C ZINC001101398025 1220322840 /nfs/dbraw/zinc/32/28/40/1220322840.db2.gz STVFJBCIJGVJAK-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)n1C ZINC001101398025 1220322844 /nfs/dbraw/zinc/32/28/44/1220322844.db2.gz STVFJBCIJGVJAK-BEFAXECRSA-N 2 2 362.522 1.000 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101397803 1220323296 /nfs/dbraw/zinc/32/32/96/1220323296.db2.gz IJYPVNKOCKJSKP-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(COC)no3)C[C@@]2(C)C1 ZINC001101397803 1220323300 /nfs/dbraw/zinc/32/33/00/1220323300.db2.gz IJYPVNKOCKJSKP-KDOFPFPSSA-N 2 2 365.478 0.838 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101418543 1220332534 /nfs/dbraw/zinc/33/25/34/1220332534.db2.gz WWIRGKUMDXDWMQ-QAPCUYQASA-N 2 2 366.485 0.870 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101418543 1220332538 /nfs/dbraw/zinc/33/25/38/1220332538.db2.gz WWIRGKUMDXDWMQ-QAPCUYQASA-N 2 2 366.485 0.870 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101418543 1220332541 /nfs/dbraw/zinc/33/25/41/1220332541.db2.gz WWIRGKUMDXDWMQ-QAPCUYQASA-N 2 2 366.485 0.870 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101418543 1220332545 /nfs/dbraw/zinc/33/25/45/1220332545.db2.gz WWIRGKUMDXDWMQ-QAPCUYQASA-N 2 2 366.485 0.870 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)n1cc[nH+]c1 ZINC001228851745 1225957834 /nfs/dbraw/zinc/95/78/34/1225957834.db2.gz BZCQAWXNUBPFAD-BFHYXJOUSA-N 2 2 361.450 0.473 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435242 1220343809 /nfs/dbraw/zinc/34/38/09/1220343809.db2.gz FMFJTQZLFYZQBM-DAYGRLMNSA-N 2 2 363.510 0.783 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435242 1220343812 /nfs/dbraw/zinc/34/38/12/1220343812.db2.gz FMFJTQZLFYZQBM-DAYGRLMNSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441496 1220347105 /nfs/dbraw/zinc/34/71/05/1220347105.db2.gz WHUTWIQKNQKRKH-RKVPGOIHSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441496 1220347110 /nfs/dbraw/zinc/34/71/10/1220347110.db2.gz WHUTWIQKNQKRKH-RKVPGOIHSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441496 1220347114 /nfs/dbraw/zinc/34/71/14/1220347114.db2.gz WHUTWIQKNQKRKH-RKVPGOIHSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001101441496 1220347118 /nfs/dbraw/zinc/34/71/18/1220347118.db2.gz WHUTWIQKNQKRKH-RKVPGOIHSA-N 2 2 363.510 0.783 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461483 1220359215 /nfs/dbraw/zinc/35/92/15/1220359215.db2.gz DSOHLUCPGGWERR-GMBSWORKSA-N 2 2 361.490 0.887 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461483 1220359218 /nfs/dbraw/zinc/35/92/18/1220359218.db2.gz DSOHLUCPGGWERR-GMBSWORKSA-N 2 2 361.490 0.887 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101461644 1220360380 /nfs/dbraw/zinc/36/03/80/1220360380.db2.gz MSXJXSCJWNXEEV-APWZRJJASA-N 2 2 359.474 0.498 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@]2(C)C1 ZINC001101461644 1220360386 /nfs/dbraw/zinc/36/03/86/1220360386.db2.gz MSXJXSCJWNXEEV-APWZRJJASA-N 2 2 359.474 0.498 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487107 1220371743 /nfs/dbraw/zinc/37/17/43/1220371743.db2.gz NTEKAULXVDVTPA-APWZRJJASA-N 2 2 361.490 0.922 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101487107 1220371746 /nfs/dbraw/zinc/37/17/46/1220371746.db2.gz NTEKAULXVDVTPA-APWZRJJASA-N 2 2 361.490 0.922 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488172 1220373357 /nfs/dbraw/zinc/37/33/57/1220373357.db2.gz PVJSPUJZCVOFLZ-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488172 1220373360 /nfs/dbraw/zinc/37/33/60/1220373360.db2.gz PVJSPUJZCVOFLZ-FCEWJHQRSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047547 1220476777 /nfs/dbraw/zinc/47/67/77/1220476777.db2.gz KSYQTNSZOFKNKS-UNEWFSDZSA-N 2 2 366.485 0.772 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047547 1220476778 /nfs/dbraw/zinc/47/67/78/1220476778.db2.gz KSYQTNSZOFKNKS-UNEWFSDZSA-N 2 2 366.485 0.772 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050082 1220477973 /nfs/dbraw/zinc/47/79/73/1220477973.db2.gz SUMZBQTZBHOPDQ-HUUCEWRRSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102050082 1220477975 /nfs/dbraw/zinc/47/79/75/1220477975.db2.gz SUMZBQTZBHOPDQ-HUUCEWRRSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001102050082 1220477976 /nfs/dbraw/zinc/47/79/76/1220477976.db2.gz SUMZBQTZBHOPDQ-HUUCEWRRSA-N 2 2 366.485 0.916 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001102050082 1220477978 /nfs/dbraw/zinc/47/79/78/1220477978.db2.gz SUMZBQTZBHOPDQ-HUUCEWRRSA-N 2 2 366.485 0.916 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105498 1220497947 /nfs/dbraw/zinc/49/79/47/1220497947.db2.gz SPSAFYVDVOXOLJ-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105498 1220497948 /nfs/dbraw/zinc/49/79/48/1220497948.db2.gz SPSAFYVDVOXOLJ-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177113 1220536767 /nfs/dbraw/zinc/53/67/67/1220536767.db2.gz JIZVCNBHRPAIKM-RBSFLKMASA-N 2 2 361.490 0.704 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102177113 1220536772 /nfs/dbraw/zinc/53/67/72/1220536772.db2.gz JIZVCNBHRPAIKM-RBSFLKMASA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205058 1220549085 /nfs/dbraw/zinc/54/90/85/1220549085.db2.gz JDQQHRHMXXLXER-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205058 1220549089 /nfs/dbraw/zinc/54/90/89/1220549089.db2.gz JDQQHRHMXXLXER-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350899 1220589457 /nfs/dbraw/zinc/58/94/57/1220589457.db2.gz DGBMCXLFSDCCDZ-KFWWJZLASA-N 2 2 361.490 0.992 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350899 1220589461 /nfs/dbraw/zinc/58/94/61/1220589461.db2.gz DGBMCXLFSDCCDZ-KFWWJZLASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102368347 1220596694 /nfs/dbraw/zinc/59/66/94/1220596694.db2.gz QECLEIYAAHUFQW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102368347 1220596699 /nfs/dbraw/zinc/59/66/99/1220596699.db2.gz QECLEIYAAHUFQW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102368347 1220596703 /nfs/dbraw/zinc/59/67/03/1220596703.db2.gz QECLEIYAAHUFQW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(=O)Nc2ccon2)C[C@H]1C ZINC001102368347 1220596709 /nfs/dbraw/zinc/59/67/09/1220596709.db2.gz QECLEIYAAHUFQW-RBSFLKMASA-N 2 2 363.462 0.782 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369799 1220596870 /nfs/dbraw/zinc/59/68/70/1220596870.db2.gz HKVUCTQHPDEKIU-ARFHVFGLSA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369799 1220596872 /nfs/dbraw/zinc/59/68/72/1220596872.db2.gz HKVUCTQHPDEKIU-ARFHVFGLSA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369799 1220596876 /nfs/dbraw/zinc/59/68/76/1220596876.db2.gz HKVUCTQHPDEKIU-ARFHVFGLSA-N 2 2 363.510 0.609 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369799 1220596878 /nfs/dbraw/zinc/59/68/78/1220596878.db2.gz HKVUCTQHPDEKIU-ARFHVFGLSA-N 2 2 363.510 0.609 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419499 1220617427 /nfs/dbraw/zinc/61/74/27/1220617427.db2.gz HXPBTTGYYYMTSV-BZUAXINKSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC001102419499 1220617432 /nfs/dbraw/zinc/61/74/32/1220617432.db2.gz HXPBTTGYYYMTSV-BZUAXINKSA-N 2 2 366.506 0.189 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1C ZINC001102465921 1220637565 /nfs/dbraw/zinc/63/75/65/1220637565.db2.gz CAMFBZROQDIJKI-GDBMZVCRSA-N 2 2 359.478 0.985 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1C ZINC001102465921 1220637571 /nfs/dbraw/zinc/63/75/71/1220637571.db2.gz CAMFBZROQDIJKI-GDBMZVCRSA-N 2 2 359.478 0.985 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514779 1220674467 /nfs/dbraw/zinc/67/44/67/1220674467.db2.gz NCNSZHJRGMBSAG-OWCLPIDISA-N 2 2 363.506 0.904 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514779 1220674472 /nfs/dbraw/zinc/67/44/72/1220674472.db2.gz NCNSZHJRGMBSAG-OWCLPIDISA-N 2 2 363.506 0.904 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102532410 1220684386 /nfs/dbraw/zinc/68/43/86/1220684386.db2.gz KRLVHLKUUBUYPK-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1C ZINC001102532410 1220684389 /nfs/dbraw/zinc/68/43/89/1220684389.db2.gz KRLVHLKUUBUYPK-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579631 1220701580 /nfs/dbraw/zinc/70/15/80/1220701580.db2.gz HREXGGDYTSYXSX-GDBMZVCRSA-N 2 2 360.506 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc(C3CC3)n2C)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579631 1220701584 /nfs/dbraw/zinc/70/15/84/1220701584.db2.gz HREXGGDYTSYXSX-GDBMZVCRSA-N 2 2 360.506 0.972 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001102580843 1220702275 /nfs/dbraw/zinc/70/22/75/1220702275.db2.gz NTMDMDWRLJODJE-IXDOHACOSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001102580843 1220702281 /nfs/dbraw/zinc/70/22/81/1220702281.db2.gz NTMDMDWRLJODJE-IXDOHACOSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616369 1220735343 /nfs/dbraw/zinc/73/53/43/1220735343.db2.gz XINIHKZXWWQVQM-BRWVUGGUSA-N 2 2 361.490 0.826 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616369 1220735347 /nfs/dbraw/zinc/73/53/47/1220735347.db2.gz XINIHKZXWWQVQM-BRWVUGGUSA-N 2 2 361.490 0.826 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925399 1220808176 /nfs/dbraw/zinc/80/81/76/1220808176.db2.gz UKRYLOHJMZIGIN-MGPQQGTHSA-N 2 2 361.446 0.222 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925399 1220808177 /nfs/dbraw/zinc/80/81/77/1220808177.db2.gz UKRYLOHJMZIGIN-MGPQQGTHSA-N 2 2 361.446 0.222 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925398 1220808393 /nfs/dbraw/zinc/80/83/93/1220808393.db2.gz UKRYLOHJMZIGIN-MCIONIFRSA-N 2 2 361.446 0.222 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925398 1220808394 /nfs/dbraw/zinc/80/83/94/1220808394.db2.gz UKRYLOHJMZIGIN-MCIONIFRSA-N 2 2 361.446 0.222 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138436 1220838651 /nfs/dbraw/zinc/83/86/51/1220838651.db2.gz LEYPKRLWMDUUDT-IIAWOOMASA-N 2 2 362.474 0.971 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138436 1220838652 /nfs/dbraw/zinc/83/86/52/1220838652.db2.gz LEYPKRLWMDUUDT-IIAWOOMASA-N 2 2 362.474 0.971 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136929 1220839093 /nfs/dbraw/zinc/83/90/93/1220839093.db2.gz UELUZZROROXSIP-GKLJAUDBSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136929 1220839095 /nfs/dbraw/zinc/83/90/95/1220839095.db2.gz UELUZZROROXSIP-GKLJAUDBSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136929 1220839096 /nfs/dbraw/zinc/83/90/96/1220839096.db2.gz UELUZZROROXSIP-GKLJAUDBSA-N 2 2 365.478 0.671 20 0 FCADLP Cc1nonc1C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136929 1220839099 /nfs/dbraw/zinc/83/90/99/1220839099.db2.gz UELUZZROROXSIP-GKLJAUDBSA-N 2 2 365.478 0.671 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162818 1220842596 /nfs/dbraw/zinc/84/25/96/1220842596.db2.gz LCCPVZWPORMANP-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001103162818 1220842597 /nfs/dbraw/zinc/84/25/97/1220842597.db2.gz LCCPVZWPORMANP-OAGGEKHMSA-N 2 2 371.489 0.848 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001103271581 1220859865 /nfs/dbraw/zinc/85/98/65/1220859865.db2.gz VXGUSNKUCVVLJX-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001103271581 1220859868 /nfs/dbraw/zinc/85/98/68/1220859868.db2.gz VXGUSNKUCVVLJX-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001103271581 1220859869 /nfs/dbraw/zinc/85/98/69/1220859869.db2.gz VXGUSNKUCVVLJX-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001103271581 1220859872 /nfs/dbraw/zinc/85/98/72/1220859872.db2.gz VXGUSNKUCVVLJX-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290306 1220861504 /nfs/dbraw/zinc/86/15/04/1220861504.db2.gz JGNIBGYGTKFXHU-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290306 1220861508 /nfs/dbraw/zinc/86/15/08/1220861508.db2.gz JGNIBGYGTKFXHU-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001103425990 1220880349 /nfs/dbraw/zinc/88/03/49/1220880349.db2.gz ZTHRJYOZBLDTMF-OAGGEKHMSA-N 2 2 364.490 0.913 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001103425990 1220880351 /nfs/dbraw/zinc/88/03/51/1220880351.db2.gz ZTHRJYOZBLDTMF-OAGGEKHMSA-N 2 2 364.490 0.913 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451979 1220886163 /nfs/dbraw/zinc/88/61/63/1220886163.db2.gz FVKKPXWLZCMRNO-QBPKDAKJSA-N 2 2 371.489 0.890 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451979 1220886166 /nfs/dbraw/zinc/88/61/66/1220886166.db2.gz FVKKPXWLZCMRNO-QBPKDAKJSA-N 2 2 371.489 0.890 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472245 1220888047 /nfs/dbraw/zinc/88/80/47/1220888047.db2.gz JVRGCMIDFKFJPE-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472245 1220888048 /nfs/dbraw/zinc/88/80/48/1220888048.db2.gz JVRGCMIDFKFJPE-INMHGKMJSA-N 2 2 368.478 0.050 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643926 1220925825 /nfs/dbraw/zinc/92/58/25/1220925825.db2.gz XEEDVVPJZRQOCY-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643926 1220925833 /nfs/dbraw/zinc/92/58/33/1220925833.db2.gz XEEDVVPJZRQOCY-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643772 1220925871 /nfs/dbraw/zinc/92/58/71/1220925871.db2.gz PYNMEFNJEXPAMS-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643772 1220925875 /nfs/dbraw/zinc/92/58/75/1220925875.db2.gz PYNMEFNJEXPAMS-HUUCEWRRSA-N 2 2 362.478 0.062 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644894 1220927536 /nfs/dbraw/zinc/92/75/36/1220927536.db2.gz WTROEDJHLVQOMV-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103644894 1220927542 /nfs/dbraw/zinc/92/75/42/1220927542.db2.gz WTROEDJHLVQOMV-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779166 1220972052 /nfs/dbraw/zinc/97/20/52/1220972052.db2.gz PDXRHEPFQJGXQG-NVXWUHKLSA-N 2 2 365.478 0.110 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779166 1220972057 /nfs/dbraw/zinc/97/20/57/1220972057.db2.gz PDXRHEPFQJGXQG-NVXWUHKLSA-N 2 2 365.478 0.110 20 0 FCADLP CN(C)C(=O)CC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000781144438 1221051331 /nfs/dbraw/zinc/05/13/31/1221051331.db2.gz LKXUUQRCKJQANM-UHFFFAOYSA-N 2 2 365.478 0.150 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658685 1221055123 /nfs/dbraw/zinc/05/51/23/1221055123.db2.gz LEDGJRXMYDHINQ-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658685 1221055126 /nfs/dbraw/zinc/05/51/26/1221055126.db2.gz LEDGJRXMYDHINQ-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658685 1221055128 /nfs/dbraw/zinc/05/51/28/1221055128.db2.gz LEDGJRXMYDHINQ-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658685 1221055131 /nfs/dbraw/zinc/05/51/31/1221055131.db2.gz LEDGJRXMYDHINQ-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678555 1221062456 /nfs/dbraw/zinc/06/24/56/1221062456.db2.gz KECCMEPTKZCMSP-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678555 1221062462 /nfs/dbraw/zinc/06/24/62/1221062462.db2.gz KECCMEPTKZCMSP-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678555 1221062466 /nfs/dbraw/zinc/06/24/66/1221062466.db2.gz KECCMEPTKZCMSP-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678555 1221062468 /nfs/dbraw/zinc/06/24/68/1221062468.db2.gz KECCMEPTKZCMSP-FCEWJHQRSA-N 2 2 366.506 0.155 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001111792732 1221112016 /nfs/dbraw/zinc/11/20/16/1221112016.db2.gz LXCWPSPHDTYDLJ-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001111792732 1221112018 /nfs/dbraw/zinc/11/20/18/1221112018.db2.gz LXCWPSPHDTYDLJ-GJYPPUQNSA-N 2 2 362.474 0.425 20 0 FCADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111799903 1221115258 /nfs/dbraw/zinc/11/52/58/1221115258.db2.gz OQWIGEVFPPEOMA-UGSOOPFHSA-N 2 2 370.413 0.114 20 0 FCADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001111799903 1221115260 /nfs/dbraw/zinc/11/52/60/1221115260.db2.gz OQWIGEVFPPEOMA-UGSOOPFHSA-N 2 2 370.413 0.114 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001111816019 1221124766 /nfs/dbraw/zinc/12/47/66/1221124766.db2.gz JXKOGPQHHLXVOY-KHYOSLBOSA-N 2 2 359.474 0.602 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCNC1=O)C2 ZINC001111816019 1221124769 /nfs/dbraw/zinc/12/47/69/1221124769.db2.gz JXKOGPQHHLXVOY-KHYOSLBOSA-N 2 2 359.474 0.602 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855875 1221138682 /nfs/dbraw/zinc/13/86/82/1221138682.db2.gz QHQQBHDHKPKBIX-DEYYWGMASA-N 2 2 361.494 0.584 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855875 1221138685 /nfs/dbraw/zinc/13/86/85/1221138685.db2.gz QHQQBHDHKPKBIX-DEYYWGMASA-N 2 2 361.494 0.584 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC001111986186 1221194961 /nfs/dbraw/zinc/19/49/61/1221194961.db2.gz IVOSVNLOSCBTFX-BXWFABGCSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC001111986186 1221194963 /nfs/dbraw/zinc/19/49/63/1221194963.db2.gz IVOSVNLOSCBTFX-BXWFABGCSA-N 2 2 366.506 0.014 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)CC1 ZINC000798412720 1221285172 /nfs/dbraw/zinc/28/51/72/1221285172.db2.gz GJCODZIBFDXMEV-FMKPAKJESA-N 2 2 365.478 0.295 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)CC1 ZINC000798412720 1221285176 /nfs/dbraw/zinc/28/51/76/1221285176.db2.gz GJCODZIBFDXMEV-FMKPAKJESA-N 2 2 365.478 0.295 20 0 FCADLP COCC1(O)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC001116395588 1221359589 /nfs/dbraw/zinc/35/95/89/1221359589.db2.gz GWGSNHDKHPRZPG-UHFFFAOYSA-N 2 2 368.522 0.728 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229932918 1226039761 /nfs/dbraw/zinc/03/97/61/1226039761.db2.gz CWLVSPFKIXWIEO-ARFHVFGLSA-N 2 2 368.478 0.302 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC001117035792 1221440077 /nfs/dbraw/zinc/44/00/77/1221440077.db2.gz RNUDMWUGYYVVGJ-MRXNPFEDSA-N 2 2 374.485 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC001117035792 1221440082 /nfs/dbraw/zinc/44/00/82/1221440082.db2.gz RNUDMWUGYYVVGJ-MRXNPFEDSA-N 2 2 374.485 0.336 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC001117694679 1221610007 /nfs/dbraw/zinc/61/00/07/1221610007.db2.gz VBTHNGOPMYKPQB-INIZCTEOSA-N 2 2 369.469 0.958 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001117853768 1221631240 /nfs/dbraw/zinc/63/12/40/1221631240.db2.gz AIPXYEHTPZBCLC-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001117853768 1221631246 /nfs/dbraw/zinc/63/12/46/1221631246.db2.gz AIPXYEHTPZBCLC-IRXDYDNUSA-N 2 2 364.490 0.006 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858447 1221633096 /nfs/dbraw/zinc/63/30/96/1221633096.db2.gz MGFBCGVZTALPFI-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001117858447 1221633102 /nfs/dbraw/zinc/63/31/02/1221633102.db2.gz MGFBCGVZTALPFI-IRXDYDNUSA-N 2 2 366.506 0.251 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)Nc1cnccn1 ZINC001230347926 1226075737 /nfs/dbraw/zinc/07/57/37/1226075737.db2.gz MUTPGBMVKIPLPY-ZIAGYGMSSA-N 2 2 357.418 0.329 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC001119371372 1221908976 /nfs/dbraw/zinc/90/89/76/1221908976.db2.gz VKJZDSSBFPEMSN-ZOBUZTSGSA-N 2 2 374.485 0.754 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001119633721 1221942227 /nfs/dbraw/zinc/94/22/27/1221942227.db2.gz RHDLVVSJJOVATN-IBGZPJMESA-N 2 2 358.486 0.728 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001119633721 1221942231 /nfs/dbraw/zinc/94/22/31/1221942231.db2.gz RHDLVVSJJOVATN-IBGZPJMESA-N 2 2 358.486 0.728 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)CC1 ZINC001119632951 1221942400 /nfs/dbraw/zinc/94/24/00/1221942400.db2.gz FCUFDASWGMQHEP-UHFFFAOYSA-N 2 2 364.534 0.583 20 0 FCADLP O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001119682680 1221950017 /nfs/dbraw/zinc/95/00/17/1221950017.db2.gz QTQHXARRPYKXSO-JKSUJKDBSA-N 2 2 365.478 0.117 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2F)CN1CC[NH+]1CCOCC1 ZINC001120582335 1222106112 /nfs/dbraw/zinc/10/61/12/1222106112.db2.gz HZQNKBZUTCDLPD-YOEHRIQHSA-N 2 2 369.412 0.521 20 0 FCADLP C[C@@H]1Cn2nc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cc2C[NH2+]1 ZINC001121928744 1222225188 /nfs/dbraw/zinc/22/51/88/1222225188.db2.gz STJUCXAZEKDKRH-MRXNPFEDSA-N 2 2 368.485 0.927 20 0 FCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001121939153 1222226397 /nfs/dbraw/zinc/22/63/97/1222226397.db2.gz ZMSZZKCSYMQXKA-JCYILVPMSA-N 2 2 361.490 0.784 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123608292 1222343185 /nfs/dbraw/zinc/34/31/85/1222343185.db2.gz OECALNODOCIAMM-SQNIBIBYSA-N 2 2 368.570 0.194 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001123608292 1222343193 /nfs/dbraw/zinc/34/31/93/1222343193.db2.gz OECALNODOCIAMM-SQNIBIBYSA-N 2 2 368.570 0.194 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123693430 1222350084 /nfs/dbraw/zinc/35/00/84/1222350084.db2.gz ABNSLPQDDCBJCM-RCCFBDPRSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001123693430 1222350088 /nfs/dbraw/zinc/35/00/88/1222350088.db2.gz ABNSLPQDDCBJCM-RCCFBDPRSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001123886444 1222362546 /nfs/dbraw/zinc/36/25/46/1222362546.db2.gz PAVXDTZWKFCDNN-KRWDZBQOSA-N 2 2 369.554 0.622 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1cncnc1)CC2 ZINC001137667703 1222415316 /nfs/dbraw/zinc/41/53/16/1222415316.db2.gz VWUWBVOBUSKIBN-UHFFFAOYSA-N 2 2 366.429 0.395 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1cncnc1)CC2 ZINC001137667703 1222415320 /nfs/dbraw/zinc/41/53/20/1222415320.db2.gz VWUWBVOBUSKIBN-UHFFFAOYSA-N 2 2 366.429 0.395 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000830548886 1222476768 /nfs/dbraw/zinc/47/67/68/1222476768.db2.gz IFAAQZATFUMUNO-GOSISDBHSA-N 2 2 373.501 0.706 20 0 FCADLP O=C1COCC2(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)N1 ZINC001139055493 1222538615 /nfs/dbraw/zinc/53/86/15/1222538615.db2.gz PMNPROIXCKJZTJ-UHFFFAOYSA-N 2 2 359.470 1.000 20 0 FCADLP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359649 1222548148 /nfs/dbraw/zinc/54/81/48/1222548148.db2.gz IEPYXXRNUOQPTB-IBGZPJMESA-N 2 2 353.426 0.795 20 0 FCADLP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139359649 1222548153 /nfs/dbraw/zinc/54/81/53/1222548153.db2.gz IEPYXXRNUOQPTB-IBGZPJMESA-N 2 2 353.426 0.795 20 0 FCADLP c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139761800 1222558394 /nfs/dbraw/zinc/55/83/94/1222558394.db2.gz MZTMGHYWUZMAHZ-IBGZPJMESA-N 2 2 361.486 0.914 20 0 FCADLP c1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139761800 1222558396 /nfs/dbraw/zinc/55/83/96/1222558396.db2.gz MZTMGHYWUZMAHZ-IBGZPJMESA-N 2 2 361.486 0.914 20 0 FCADLP COc1cnc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001231935568 1226135082 /nfs/dbraw/zinc/13/50/82/1226135082.db2.gz FPIRIFGFYUGZCD-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1cnc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001231935568 1226135086 /nfs/dbraw/zinc/13/50/86/1226135086.db2.gz FPIRIFGFYUGZCD-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1cnc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001231935568 1226135092 /nfs/dbraw/zinc/13/50/92/1226135092.db2.gz FPIRIFGFYUGZCD-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP COc1cnc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001231935568 1226135096 /nfs/dbraw/zinc/13/50/96/1226135096.db2.gz FPIRIFGFYUGZCD-GDBMZVCRSA-N 2 2 363.462 0.096 20 0 FCADLP CN(C)C(=O)CN1CC[NH+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140973716 1222626387 /nfs/dbraw/zinc/62/63/87/1222626387.db2.gz QALAMGRZJMSBII-UHFFFAOYSA-N 2 2 359.518 0.644 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000842034922 1222833467 /nfs/dbraw/zinc/83/34/67/1222833467.db2.gz DLMWASHWBZMIET-STQMWFEESA-N 2 2 356.430 0.401 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000842476321 1222848276 /nfs/dbraw/zinc/84/82/76/1222848276.db2.gz LRSQMNUROKJITO-UMVBOHGHSA-N 2 2 365.478 0.639 20 0 FCADLP CCCCCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477190 1222848331 /nfs/dbraw/zinc/84/83/31/1222848331.db2.gz NWKAAZOUYXVPGH-DLBZAZTESA-N 2 2 365.522 0.903 20 0 FCADLP CCCCCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477190 1222848333 /nfs/dbraw/zinc/84/83/33/1222848333.db2.gz NWKAAZOUYXVPGH-DLBZAZTESA-N 2 2 365.522 0.903 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695482 1226159780 /nfs/dbraw/zinc/15/97/80/1226159780.db2.gz BEGBHKOIKZDLNK-DOMZBBRYSA-N 2 2 374.363 0.647 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695482 1226159787 /nfs/dbraw/zinc/15/97/87/1226159787.db2.gz BEGBHKOIKZDLNK-DOMZBBRYSA-N 2 2 374.363 0.647 20 0 FCADLP CC[N@H+](CC(=O)Nc1cnccn1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452230 1222976163 /nfs/dbraw/zinc/97/61/63/1222976163.db2.gz MWTPRPSZCCVHEB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[N@@H+](CC(=O)Nc1cnccn1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452230 1222976170 /nfs/dbraw/zinc/97/61/70/1222976170.db2.gz MWTPRPSZCCVHEB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CC(=O)Nc1cnccn1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452230 1222976174 /nfs/dbraw/zinc/97/61/74/1222976174.db2.gz MWTPRPSZCCVHEB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP CC[NH+](CC(=O)Nc1cnccn1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452230 1222976185 /nfs/dbraw/zinc/97/61/85/1222976185.db2.gz MWTPRPSZCCVHEB-RBSFLKMASA-N 2 2 362.478 0.582 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000977801474 1248650423 /nfs/dbraw/zinc/65/04/23/1248650423.db2.gz SUVVAZCDYDPKOM-OWCLPIDISA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2C(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC000977801474 1248650441 /nfs/dbraw/zinc/65/04/41/1248650441.db2.gz SUVVAZCDYDPKOM-OWCLPIDISA-N 2 2 361.490 0.752 20 0 FCADLP C(C[C@H]1CCOC12C[NH2+]C2)Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001155477013 1223035612 /nfs/dbraw/zinc/03/56/12/1223035612.db2.gz DYPYHEDPQDOZFI-HNNXBMFYSA-N 2 2 373.505 0.674 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]cn1 ZINC001155833563 1223045426 /nfs/dbraw/zinc/04/54/26/1223045426.db2.gz KBRRHAXREKNJBD-QWQRMKEZSA-N 2 2 360.462 0.644 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc[nH+]1 ZINC001155833563 1223045431 /nfs/dbraw/zinc/04/54/31/1223045431.db2.gz KBRRHAXREKNJBD-QWQRMKEZSA-N 2 2 360.462 0.644 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](COCc1ccccc1)[NH2+]C ZINC001157081876 1223067483 /nfs/dbraw/zinc/06/74/83/1223067483.db2.gz DJEUEZBYFDBJFD-IRXDYDNUSA-N 2 2 374.441 0.805 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001157999739 1223086688 /nfs/dbraw/zinc/08/66/88/1223086688.db2.gz SXYKXCFYWYLVQA-RDJZCZTQSA-N 2 2 373.453 0.432 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(=O)N(C)C ZINC001158257158 1223092462 /nfs/dbraw/zinc/09/24/62/1223092462.db2.gz RUUUUWLVOKXEPZ-OWCLPIDISA-N 2 2 361.490 0.727 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001158734794 1223106235 /nfs/dbraw/zinc/10/62/35/1223106235.db2.gz FLCCMYDREPZKOO-XSLAGTTESA-N 2 2 371.441 0.522 20 0 FCADLP O=C(N1CCC2(CCCN2c2ncccn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158758988 1223107094 /nfs/dbraw/zinc/10/70/94/1223107094.db2.gz GPGCMVITRSDRJC-KXBFYZLASA-N 2 2 356.474 0.390 20 0 FCADLP CCOC[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)Cc2nn(CC3CC3)cc21 ZINC001158799809 1223110089 /nfs/dbraw/zinc/11/00/89/1223110089.db2.gz PHRZVGCLOACIGM-MCNSXXNHSA-N 2 2 373.501 0.977 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158891373 1223111950 /nfs/dbraw/zinc/11/19/50/1223111950.db2.gz YBQBFGBPSLWDRB-YEWWUXTCSA-N 3 2 374.420 0.368 20 0 FCADLP [NH3+]C1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001158901870 1223111972 /nfs/dbraw/zinc/11/19/72/1223111972.db2.gz ILKAUARLVCTBQG-SUMWQHHRSA-N 3 2 363.437 0.156 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001159076223 1223116654 /nfs/dbraw/zinc/11/66/54/1223116654.db2.gz HDAISQCXHKOGHT-LPHOPBHVSA-N 2 2 367.490 0.631 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160588 1223119490 /nfs/dbraw/zinc/11/94/90/1223119490.db2.gz LVNJGPJBWVYKIJ-UHFFFAOYSA-N 3 2 360.506 0.205 20 0 FCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159284487 1223123061 /nfs/dbraw/zinc/12/30/61/1223123061.db2.gz YWXMOIABPACERW-QAPCUYQASA-N 3 2 372.473 0.772 20 0 FCADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159284131 1223123212 /nfs/dbraw/zinc/12/32/12/1223123212.db2.gz WDNHUNHNBFMMRI-XKQJLSEDSA-N 2 2 357.414 0.038 20 0 FCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC001159382024 1223125427 /nfs/dbraw/zinc/12/54/27/1223125427.db2.gz LFTMNWNNSCFGFH-HNNXBMFYSA-N 2 2 359.474 0.795 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159432255 1223126745 /nfs/dbraw/zinc/12/67/45/1223126745.db2.gz GUMDZVBDKWOIIB-RBUKOAKNSA-N 2 2 372.513 0.972 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159432255 1223126748 /nfs/dbraw/zinc/12/67/48/1223126748.db2.gz GUMDZVBDKWOIIB-RBUKOAKNSA-N 2 2 372.513 0.972 20 0 FCADLP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633598 1223131970 /nfs/dbraw/zinc/13/19/70/1223131970.db2.gz OLIZWKXTSYWVLA-HUUCEWRRSA-N 2 2 374.420 0.168 20 0 FCADLP C[C@H]1c2ncc(COCC3CC3)n2CCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001159695506 1223134092 /nfs/dbraw/zinc/13/40/92/1223134092.db2.gz CUKWUXNDGBNVNX-ZFZWDLNGSA-N 2 2 359.474 0.663 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001159695762 1223134155 /nfs/dbraw/zinc/13/41/55/1223134155.db2.gz GCCOCBDRDYNRFE-XLNGHYISSA-N 2 2 371.441 0.760 20 0 FCADLP [NH3+]C1(C(=O)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC[NH2+]CC1 ZINC001159701167 1223134495 /nfs/dbraw/zinc/13/44/95/1223134495.db2.gz WEGLNTBPMGWUAD-ARFHVFGLSA-N 2 2 360.458 0.547 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]12 ZINC001159990865 1223141783 /nfs/dbraw/zinc/14/17/83/1223141783.db2.gz IQMTWQHAFOCFCP-JPLJXNOCSA-N 2 2 356.470 0.324 20 0 FCADLP CN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001160272710 1223152671 /nfs/dbraw/zinc/15/26/71/1223152671.db2.gz CDRLVSMYQQRBEC-BBWFWOEESA-N 2 2 356.470 0.540 20 0 FCADLP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n1 ZINC001160324127 1223155198 /nfs/dbraw/zinc/15/51/98/1223155198.db2.gz QHLOMYJJZSECKX-CAOSSQGBSA-N 2 2 374.489 0.173 20 0 FCADLP CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160332223 1223155795 /nfs/dbraw/zinc/15/57/95/1223155795.db2.gz KNCLAHXWMWNKFV-VXGBXAGGSA-N 2 2 364.450 0.233 20 0 FCADLP CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160332223 1223155799 /nfs/dbraw/zinc/15/57/99/1223155799.db2.gz KNCLAHXWMWNKFV-VXGBXAGGSA-N 2 2 364.450 0.233 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2=O)cn1 ZINC001160333120 1223155902 /nfs/dbraw/zinc/15/59/02/1223155902.db2.gz WJXJVWNQUFBSLM-KFWWJZLASA-N 2 2 371.445 0.148 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2=O)cn1 ZINC001160333120 1223155906 /nfs/dbraw/zinc/15/59/06/1223155906.db2.gz WJXJVWNQUFBSLM-KFWWJZLASA-N 2 2 371.445 0.148 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001160421617 1223159041 /nfs/dbraw/zinc/15/90/41/1223159041.db2.gz CEIKVMPNZMYLRZ-VKSUQKOCSA-N 3 2 357.502 0.830 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001160421617 1223159044 /nfs/dbraw/zinc/15/90/44/1223159044.db2.gz CEIKVMPNZMYLRZ-VKSUQKOCSA-N 3 2 357.502 0.830 20 0 FCADLP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566641 1223164693 /nfs/dbraw/zinc/16/46/93/1223164693.db2.gz VBPWSBHSPOUPHN-MRXNPFEDSA-N 3 2 354.458 0.016 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]1C2 ZINC001160790465 1223172779 /nfs/dbraw/zinc/17/27/79/1223172779.db2.gz POMNNCWQSNVWEV-ZXOCMBNGSA-N 2 2 358.442 0.303 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)c1 ZINC001160939992 1223180922 /nfs/dbraw/zinc/18/09/22/1223180922.db2.gz AHNXFTWUUPVSIJ-OXQOHEQNSA-N 2 2 374.485 0.312 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161011452 1223182977 /nfs/dbraw/zinc/18/29/77/1223182977.db2.gz VEJOVTUPJPBLDQ-HNNXBMFYSA-N 2 2 355.398 0.373 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054550 1223184271 /nfs/dbraw/zinc/18/42/71/1223184271.db2.gz CNESTWFSUSHCDW-IRXDYDNUSA-N 2 2 369.473 0.725 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161054550 1223184273 /nfs/dbraw/zinc/18/42/73/1223184273.db2.gz CNESTWFSUSHCDW-IRXDYDNUSA-N 2 2 369.473 0.725 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C[C@@H]1c1ccc(F)cc1 ZINC001161085109 1223185290 /nfs/dbraw/zinc/18/52/90/1223185290.db2.gz NKKMKQNPKBAHGN-IKGGRYGDSA-N 2 2 374.416 0.844 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C1 ZINC001161136997 1223186594 /nfs/dbraw/zinc/18/65/94/1223186594.db2.gz AVHOYBVXUPJTIZ-FRQCXROJSA-N 2 2 361.442 0.427 20 0 FCADLP O=C([C@@H]1C[NH2+]C[C@H](F)C1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196353 1223188537 /nfs/dbraw/zinc/18/85/37/1223188537.db2.gz DLJBKQKOLJZETI-ZWKOTPCHSA-N 3 2 370.513 0.485 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001161252804 1223193067 /nfs/dbraw/zinc/19/30/67/1223193067.db2.gz OUBVEORCSGSQMO-MRXNPFEDSA-N 2 2 359.405 0.840 20 0 FCADLP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378829 1223197420 /nfs/dbraw/zinc/19/74/20/1223197420.db2.gz NHUOIOXZMIWVGD-LZQZEXGQSA-N 3 2 360.502 0.943 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379927 1223197988 /nfs/dbraw/zinc/19/79/88/1223197988.db2.gz RWBVBTIJDXLOEL-VQIMIIECSA-N 4 2 363.550 0.474 20 0 FCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C2)CC1 ZINC001161379927 1223197991 /nfs/dbraw/zinc/19/79/91/1223197991.db2.gz RWBVBTIJDXLOEL-VQIMIIECSA-N 4 2 363.550 0.474 20 0 FCADLP CCCNC(=O)c1ccccc1OC1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001161409671 1223198606 /nfs/dbraw/zinc/19/86/06/1223198606.db2.gz PBDNPGCPTDBPSI-YOEHRIQHSA-N 2 2 374.485 0.885 20 0 FCADLP COC(=O)C1CCN(c2cc(N[C@@H](C)CN3CC[NH2+]CC3)nc[nH+]2)CC1 ZINC001162090706 1223210744 /nfs/dbraw/zinc/21/07/44/1223210744.db2.gz UGSMPGKWDFCIHE-AWEZNQCLSA-N 2 2 362.478 0.572 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH+](CCCO)CC1 ZINC001162492694 1223216902 /nfs/dbraw/zinc/21/69/02/1223216902.db2.gz KLFJSOPMBHZHNY-HZPDHXFCSA-N 2 2 364.490 0.751 20 0 FCADLP FC1(F)C[NH2+]CC[C@H]1CCNc1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001162813218 1223220123 /nfs/dbraw/zinc/22/01/23/1223220123.db2.gz SQKFPAIEWMXPHO-LBPRGKRZSA-N 2 2 368.432 0.963 20 0 FCADLP O=C(NCCC[NH2+]CCOC1CCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996065 1223223125 /nfs/dbraw/zinc/22/31/25/1223223125.db2.gz LEJCKFPWNUZKTJ-MSOLQXFVSA-N 2 2 369.506 0.531 20 0 FCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(NCc3nnc4n3CCC[NH2+]C4)c12 ZINC001163028022 1223224460 /nfs/dbraw/zinc/22/44/60/1223224460.db2.gz UJXWUNXPVIMPRY-UHFFFAOYSA-N 2 2 355.402 0.975 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccnc(NCc3noc4c3C[NH2+]CC4)c2)CC1 ZINC001163125009 1223227287 /nfs/dbraw/zinc/22/72/87/1223227287.db2.gz YNRGRGRDVZJXTD-UHFFFAOYSA-N 2 2 356.430 0.715 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)CC1 ZINC001163309163 1223229228 /nfs/dbraw/zinc/22/92/28/1223229228.db2.gz GLRCZXGXMAWEEW-KDOFPFPSSA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)CC1 ZINC001163309163 1223229231 /nfs/dbraw/zinc/22/92/31/1223229231.db2.gz GLRCZXGXMAWEEW-KDOFPFPSSA-N 2 2 360.462 0.501 20 0 FCADLP C[NH+](C)C1(CNc2ccc(C(=O)N3CCNC(=O)C3)cn2)CC[NH+](C)CC1 ZINC001164211921 1223236075 /nfs/dbraw/zinc/23/60/75/1223236075.db2.gz VWGGKXRVEOZOIJ-UHFFFAOYSA-N 2 2 374.489 0.092 20 0 FCADLP C[NH+](C)C1(CNc2ncccc2[C@@]2(C)NC(=O)NC2=O)CC[NH+](C)CC1 ZINC001164211761 1223236114 /nfs/dbraw/zinc/23/61/14/1223236114.db2.gz SHDJYNQMPLMHKJ-QGZVFWFLSA-N 2 2 360.462 0.574 20 0 FCADLP COC(=O)[C@@H]1C[C@H](Nc2nc3ccccc3nc2N2CC[NH+](C)CC2)C[NH2+]1 ZINC001164302064 1223237000 /nfs/dbraw/zinc/23/70/00/1223237000.db2.gz LWYRHRHRDSNFEI-BBRMVZONSA-N 2 2 370.457 0.697 20 0 FCADLP O=C(C[NH+]1CCN(c2ccc(N3CC[NH2+]CC3)cn2)CC1)N1CCCC1 ZINC001165058782 1223241010 /nfs/dbraw/zinc/24/10/10/1223241010.db2.gz ZXKMEIFWLFOYTA-UHFFFAOYSA-N 2 2 358.490 0.236 20 0 FCADLP O=C(NCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)C1CC1 ZINC001165592921 1223249763 /nfs/dbraw/zinc/24/97/63/1223249763.db2.gz DTEVHXTXEJGGGU-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP O=C(NCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)C1CC1 ZINC001165592921 1223249765 /nfs/dbraw/zinc/24/97/65/1223249765.db2.gz DTEVHXTXEJGGGU-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Nc1ncccn1 ZINC001166961549 1223290258 /nfs/dbraw/zinc/29/02/58/1223290258.db2.gz RLNYKCPGUCYREK-MGPQQGTHSA-N 2 2 371.445 0.437 20 0 FCADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Nc1ncccn1 ZINC001166961547 1223290349 /nfs/dbraw/zinc/29/03/49/1223290349.db2.gz RLNYKCPGUCYREK-BFHYXJOUSA-N 2 2 371.445 0.437 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1cccnc1)CC2 ZINC001204075286 1223299821 /nfs/dbraw/zinc/29/98/21/1223299821.db2.gz UYTGUAGDUIGVFY-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1cccnc1)CC2 ZINC001204075286 1223299822 /nfs/dbraw/zinc/29/98/22/1223299822.db2.gz UYTGUAGDUIGVFY-UHFFFAOYSA-N 2 2 365.441 1.000 20 0 FCADLP O=C(Cn1cc[nH+]c1)N(Cc1ccccc1)[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001205226497 1223318530 /nfs/dbraw/zinc/31/85/30/1223318530.db2.gz UVKRKYSXMZISFU-QZTJIDSGSA-N 2 2 358.442 0.339 20 0 FCADLP O=C(Cn1cc[nH+]c1)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001205226497 1223318533 /nfs/dbraw/zinc/31/85/33/1223318533.db2.gz UVKRKYSXMZISFU-QZTJIDSGSA-N 2 2 358.442 0.339 20 0 FCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001205742159 1223337363 /nfs/dbraw/zinc/33/73/63/1223337363.db2.gz YTOZOBZEURWZNL-JQHSSLGASA-N 2 2 369.506 0.075 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC001205742236 1223337535 /nfs/dbraw/zinc/33/75/35/1223337535.db2.gz MDPJDWHOWZTDMN-UHFFFAOYSA-N 3 2 365.526 0.934 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC001205742236 1223337538 /nfs/dbraw/zinc/33/75/38/1223337538.db2.gz MDPJDWHOWZTDMN-UHFFFAOYSA-N 3 2 365.526 0.934 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919182 1223386632 /nfs/dbraw/zinc/38/66/32/1223386632.db2.gz LDURRCQDYWCJBD-BMFZPTHFSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919182 1223386636 /nfs/dbraw/zinc/38/66/36/1223386636.db2.gz LDURRCQDYWCJBD-BMFZPTHFSA-N 2 2 359.474 0.932 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]3CCCO[C@H]23)cn1 ZINC001207282138 1223433371 /nfs/dbraw/zinc/43/33/71/1223433371.db2.gz MVNWJFFQOWSMCR-BRWVUGGUSA-N 2 2 363.506 0.970 20 0 FCADLP Cn1cc(C(=O)N[C@@H]2C[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]3CCCO[C@H]23)cn1 ZINC001207282138 1223433375 /nfs/dbraw/zinc/43/33/75/1223433375.db2.gz MVNWJFFQOWSMCR-BRWVUGGUSA-N 2 2 363.506 0.970 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708691 1223473686 /nfs/dbraw/zinc/47/36/86/1223473686.db2.gz HGYJASXDHHSILX-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207708691 1223473688 /nfs/dbraw/zinc/47/36/88/1223473688.db2.gz HGYJASXDHHSILX-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207708691 1223473690 /nfs/dbraw/zinc/47/36/90/1223473690.db2.gz HGYJASXDHHSILX-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207708691 1223473691 /nfs/dbraw/zinc/47/36/91/1223473691.db2.gz HGYJASXDHHSILX-RBSFLKMASA-N 2 2 367.494 0.143 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757780 1223477437 /nfs/dbraw/zinc/47/74/37/1223477437.db2.gz MHCFVHMWSXOBHH-HLLBOEOZSA-N 2 2 361.490 0.749 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757780 1223477441 /nfs/dbraw/zinc/47/74/41/1223477441.db2.gz MHCFVHMWSXOBHH-HLLBOEOZSA-N 2 2 361.490 0.749 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cc1F ZINC001276549835 1223493243 /nfs/dbraw/zinc/49/32/43/1223493243.db2.gz HCVMUVAKVHQNFV-SFHVURJKSA-N 2 2 366.437 0.594 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207966841 1223500700 /nfs/dbraw/zinc/50/07/00/1223500700.db2.gz NPQFPLUNMWUFKK-CZUORRHYSA-N 2 2 356.430 0.454 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001207966841 1223500703 /nfs/dbraw/zinc/50/07/03/1223500703.db2.gz NPQFPLUNMWUFKK-CZUORRHYSA-N 2 2 356.430 0.454 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208057795 1223510332 /nfs/dbraw/zinc/51/03/32/1223510332.db2.gz UXGBGHLPKYDJHD-HZPDHXFCSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208057795 1223510338 /nfs/dbraw/zinc/51/03/38/1223510338.db2.gz UXGBGHLPKYDJHD-HZPDHXFCSA-N 2 2 361.490 0.802 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001208958120 1223588095 /nfs/dbraw/zinc/58/80/95/1223588095.db2.gz OIYQRNHZOGXYBK-INIZCTEOSA-N 2 2 357.462 0.987 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)C1 ZINC001208958120 1223588100 /nfs/dbraw/zinc/58/81/00/1223588100.db2.gz OIYQRNHZOGXYBK-INIZCTEOSA-N 2 2 357.462 0.987 20 0 FCADLP O=C1C[C@]2(CCCN(CC[NH+]3CCCC3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276611369 1223595474 /nfs/dbraw/zinc/59/54/74/1223595474.db2.gz LSSXMTJKXYELPE-IBGZPJMESA-N 2 2 359.474 0.820 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCN3CCOCC3)CC[C@@H]21 ZINC001209289415 1223608355 /nfs/dbraw/zinc/60/83/55/1223608355.db2.gz BSRMTUQNRTVUEI-QYZOEREBSA-N 2 2 362.522 0.784 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCN3CCOCC3)CC[C@@H]21 ZINC001209289415 1223608357 /nfs/dbraw/zinc/60/83/57/1223608357.db2.gz BSRMTUQNRTVUEI-QYZOEREBSA-N 2 2 362.522 0.784 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCN3CCOCC3)CC[C@@H]21 ZINC001209289415 1223608358 /nfs/dbraw/zinc/60/83/58/1223608358.db2.gz BSRMTUQNRTVUEI-QYZOEREBSA-N 2 2 362.522 0.784 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCN3CCOCC3)CC[C@@H]21 ZINC001209289415 1223608361 /nfs/dbraw/zinc/60/83/61/1223608361.db2.gz BSRMTUQNRTVUEI-QYZOEREBSA-N 2 2 362.522 0.784 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001209289415 1223608363 /nfs/dbraw/zinc/60/83/63/1223608363.db2.gz BSRMTUQNRTVUEI-QYZOEREBSA-N 2 2 362.522 0.784 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001209289415 1223608365 /nfs/dbraw/zinc/60/83/65/1223608365.db2.gz BSRMTUQNRTVUEI-QYZOEREBSA-N 2 2 362.522 0.784 20 0 FCADLP O=C1CO[C@@]2(CCN(CC[NH+]3CCCCC3)C2)CN1CCn1cc[nH+]c1 ZINC001276638985 1223616253 /nfs/dbraw/zinc/61/62/53/1223616253.db2.gz AWNHRYGMIJIISC-LJQANCHMSA-N 2 2 361.490 0.672 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515265 1223627062 /nfs/dbraw/zinc/62/70/62/1223627062.db2.gz UDZPGFSMAAYSGQ-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515265 1223627063 /nfs/dbraw/zinc/62/70/63/1223627063.db2.gz UDZPGFSMAAYSGQ-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)C(C)C ZINC001209585626 1223632975 /nfs/dbraw/zinc/63/29/75/1223632975.db2.gz NHRKJLYCGZZJNY-FMKPAKJESA-N 2 2 366.510 0.411 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C)C(C)C ZINC001209585626 1223632979 /nfs/dbraw/zinc/63/29/79/1223632979.db2.gz NHRKJLYCGZZJNY-FMKPAKJESA-N 2 2 366.510 0.411 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001209730105 1223644856 /nfs/dbraw/zinc/64/48/56/1223644856.db2.gz FRNPFVCVRIXRQW-HNAYVOBHSA-N 2 2 368.441 0.838 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001209730105 1223644858 /nfs/dbraw/zinc/64/48/58/1223644858.db2.gz FRNPFVCVRIXRQW-HNAYVOBHSA-N 2 2 368.441 0.838 20 0 FCADLP CN(Cc1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1)C(=O)C[NH3+] ZINC001211362373 1223736841 /nfs/dbraw/zinc/73/68/41/1223736841.db2.gz XVTFJAMQKZPEGX-UHFFFAOYSA-N 2 2 358.446 0.401 20 0 FCADLP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450255 1223743590 /nfs/dbraw/zinc/74/35/90/1223743590.db2.gz POSBSVKARAPJBV-BRWVUGGUSA-N 2 2 368.478 0.124 20 0 FCADLP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450255 1223743596 /nfs/dbraw/zinc/74/35/96/1223743596.db2.gz POSBSVKARAPJBV-BRWVUGGUSA-N 2 2 368.478 0.124 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219180 1223770157 /nfs/dbraw/zinc/77/01/57/1223770157.db2.gz FAZAOQYGIGGUEN-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219180 1223770161 /nfs/dbraw/zinc/77/01/61/1223770161.db2.gz FAZAOQYGIGGUEN-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219180 1223770164 /nfs/dbraw/zinc/77/01/64/1223770164.db2.gz FAZAOQYGIGGUEN-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219180 1223770166 /nfs/dbraw/zinc/77/01/66/1223770166.db2.gz FAZAOQYGIGGUEN-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221563 1223771213 /nfs/dbraw/zinc/77/12/13/1223771213.db2.gz IPPPENNPGCDHJU-HZPDHXFCSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213221563 1223771219 /nfs/dbraw/zinc/77/12/19/1223771219.db2.gz IPPPENNPGCDHJU-HZPDHXFCSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224205 1223771921 /nfs/dbraw/zinc/77/19/21/1223771921.db2.gz RCRIHYWUHNZQED-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213224205 1223771923 /nfs/dbraw/zinc/77/19/23/1223771923.db2.gz RCRIHYWUHNZQED-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241778 1223775768 /nfs/dbraw/zinc/77/57/68/1223775768.db2.gz NTISAYODKGOFED-KZNAEPCWSA-N 2 2 358.442 0.822 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241778 1223775769 /nfs/dbraw/zinc/77/57/69/1223775769.db2.gz NTISAYODKGOFED-KZNAEPCWSA-N 2 2 358.442 0.822 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241901 1223776034 /nfs/dbraw/zinc/77/60/34/1223776034.db2.gz UEQGVJOFZPLJKR-IAGOWNOFSA-N 2 2 360.462 0.602 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241901 1223776037 /nfs/dbraw/zinc/77/60/37/1223776037.db2.gz UEQGVJOFZPLJKR-IAGOWNOFSA-N 2 2 360.462 0.602 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701052 1223789380 /nfs/dbraw/zinc/78/93/80/1223789380.db2.gz AYCOTMNQRIVHNZ-KSSFIOAISA-N 2 2 362.430 0.533 20 0 FCADLP COC(=O)[C@@H](C)CN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276701052 1223789383 /nfs/dbraw/zinc/78/93/83/1223789383.db2.gz AYCOTMNQRIVHNZ-KSSFIOAISA-N 2 2 362.430 0.533 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374362 1223791720 /nfs/dbraw/zinc/79/17/20/1223791720.db2.gz CRUWSWUSNUSXBS-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374362 1223791723 /nfs/dbraw/zinc/79/17/23/1223791723.db2.gz CRUWSWUSNUSXBS-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374487 1223791759 /nfs/dbraw/zinc/79/17/59/1223791759.db2.gz IURZOGMLNRBQLB-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374487 1223791761 /nfs/dbraw/zinc/79/17/61/1223791761.db2.gz IURZOGMLNRBQLB-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374387 1223791871 /nfs/dbraw/zinc/79/18/71/1223791871.db2.gz FASXRFVDGGVBSB-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374387 1223791873 /nfs/dbraw/zinc/79/18/73/1223791873.db2.gz FASXRFVDGGVBSB-BRWVUGGUSA-N 2 2 368.522 0.545 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399779 1223794422 /nfs/dbraw/zinc/79/44/22/1223794422.db2.gz KJWZERHBCULFJW-BRWVUGGUSA-N 2 2 364.490 0.992 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399779 1223794425 /nfs/dbraw/zinc/79/44/25/1223794425.db2.gz KJWZERHBCULFJW-BRWVUGGUSA-N 2 2 364.490 0.992 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213435250 1223798254 /nfs/dbraw/zinc/79/82/54/1223798254.db2.gz VAUOBVYYBKJETB-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213435250 1223798256 /nfs/dbraw/zinc/79/82/56/1223798256.db2.gz VAUOBVYYBKJETB-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213435252 1223798358 /nfs/dbraw/zinc/79/83/58/1223798358.db2.gz VAUOBVYYBKJETB-OWCLPIDISA-N 2 2 370.538 0.837 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213435252 1223798359 /nfs/dbraw/zinc/79/83/59/1223798359.db2.gz VAUOBVYYBKJETB-OWCLPIDISA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213577982 1223817017 /nfs/dbraw/zinc/81/70/17/1223817017.db2.gz AUDMSTVYQVXFEG-QZTJIDSGSA-N 2 2 365.449 0.863 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213577982 1223817020 /nfs/dbraw/zinc/81/70/20/1223817020.db2.gz AUDMSTVYQVXFEG-QZTJIDSGSA-N 2 2 365.449 0.863 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCCC(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578506 1223817173 /nfs/dbraw/zinc/81/71/73/1223817173.db2.gz SAGRGOWAEAHBRW-QZTJIDSGSA-N 2 2 371.522 0.587 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCCC(C)C)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578506 1223817175 /nfs/dbraw/zinc/81/71/75/1223817175.db2.gz SAGRGOWAEAHBRW-QZTJIDSGSA-N 2 2 371.522 0.587 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)o1 ZINC001213730784 1223840717 /nfs/dbraw/zinc/84/07/17/1223840717.db2.gz XLTVASDTIKOLKW-GDBMZVCRSA-N 2 2 368.478 0.439 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C2)o1 ZINC001213730784 1223840720 /nfs/dbraw/zinc/84/07/20/1223840720.db2.gz XLTVASDTIKOLKW-GDBMZVCRSA-N 2 2 368.478 0.439 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759481 1223845309 /nfs/dbraw/zinc/84/53/09/1223845309.db2.gz NIKOFNXSYMORNY-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759481 1223845311 /nfs/dbraw/zinc/84/53/11/1223845311.db2.gz NIKOFNXSYMORNY-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759481 1223845314 /nfs/dbraw/zinc/84/53/14/1223845314.db2.gz NIKOFNXSYMORNY-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767439 1223846530 /nfs/dbraw/zinc/84/65/30/1223846530.db2.gz TUPNFUUIHCGBRM-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767439 1223846533 /nfs/dbraw/zinc/84/65/33/1223846533.db2.gz TUPNFUUIHCGBRM-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767439 1223846536 /nfs/dbraw/zinc/84/65/36/1223846536.db2.gz TUPNFUUIHCGBRM-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1OC ZINC001213767439 1223846539 /nfs/dbraw/zinc/84/65/39/1223846539.db2.gz TUPNFUUIHCGBRM-OWCLPIDISA-N 2 2 368.522 0.543 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768810 1223846991 /nfs/dbraw/zinc/84/69/91/1223846991.db2.gz ABIVKBQSLGYLGM-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768810 1223846993 /nfs/dbraw/zinc/84/69/93/1223846993.db2.gz ABIVKBQSLGYLGM-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768810 1223846996 /nfs/dbraw/zinc/84/69/96/1223846996.db2.gz ABIVKBQSLGYLGM-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@H]1OC ZINC001213768810 1223846998 /nfs/dbraw/zinc/84/69/98/1223846998.db2.gz ABIVKBQSLGYLGM-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868318 1223864418 /nfs/dbraw/zinc/86/44/18/1223864418.db2.gz NTPHLFQIWCQZTI-IAGOWNOFSA-N 2 2 366.506 0.347 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001213868318 1223864420 /nfs/dbraw/zinc/86/44/20/1223864420.db2.gz NTPHLFQIWCQZTI-IAGOWNOFSA-N 2 2 366.506 0.347 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914724 1223871326 /nfs/dbraw/zinc/87/13/26/1223871326.db2.gz UGEXCDDURHDWEA-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914724 1223871329 /nfs/dbraw/zinc/87/13/29/1223871329.db2.gz UGEXCDDURHDWEA-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921906 1223873011 /nfs/dbraw/zinc/87/30/11/1223873011.db2.gz MMVQFJYNVGCVEO-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921906 1223873013 /nfs/dbraw/zinc/87/30/13/1223873013.db2.gz MMVQFJYNVGCVEO-BRWVUGGUSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001215005723 1223962743 /nfs/dbraw/zinc/96/27/43/1223962743.db2.gz FVVBCHYFNQBYDM-IJEWVQPXSA-N 2 2 359.474 0.503 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215008421 1223963293 /nfs/dbraw/zinc/96/32/93/1223963293.db2.gz NNMBGUSBBPDUMD-FRFSOERESA-N 2 2 359.474 0.408 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008468 1223963607 /nfs/dbraw/zinc/96/36/07/1223963607.db2.gz PFLHYAYKUDRVSC-HLLBOEOZSA-N 2 2 361.490 0.749 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215008653 1223963713 /nfs/dbraw/zinc/96/37/13/1223963713.db2.gz WCNXNAJOAOITGO-FVQBIDKESA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001215199724 1223981511 /nfs/dbraw/zinc/98/15/11/1223981511.db2.gz BGDRRWCBFJHUJE-BRWVUGGUSA-N 2 2 364.490 0.985 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215255074 1223985927 /nfs/dbraw/zinc/98/59/27/1223985927.db2.gz XJNXOYZOCDMGJQ-ZTFGCOKTSA-N 2 2 358.442 0.930 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001215742465 1224014544 /nfs/dbraw/zinc/01/45/44/1224014544.db2.gz NIGOAZOQZXVFCE-BRWVUGGUSA-N 2 2 369.506 0.075 20 0 FCADLP CC(C)n1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978186041 1248719114 /nfs/dbraw/zinc/71/91/14/1248719114.db2.gz XEEQYSSZYPFFPG-HHARLNAUSA-N 2 2 360.506 0.993 20 0 FCADLP CC(C)n1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978186041 1248719121 /nfs/dbraw/zinc/71/91/21/1248719121.db2.gz XEEQYSSZYPFFPG-HHARLNAUSA-N 2 2 360.506 0.993 20 0 FCADLP CC(C)n1ncnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978186041 1248719127 /nfs/dbraw/zinc/71/91/27/1248719127.db2.gz XEEQYSSZYPFFPG-HHARLNAUSA-N 2 2 360.506 0.993 20 0 FCADLP CC(C)n1ncnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978186041 1248719134 /nfs/dbraw/zinc/71/91/34/1248719134.db2.gz XEEQYSSZYPFFPG-HHARLNAUSA-N 2 2 360.506 0.993 20 0 FCADLP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001215934049 1224025108 /nfs/dbraw/zinc/02/51/08/1224025108.db2.gz DLOJOJQLVHEOFO-NVXWUHKLSA-N 2 2 364.494 0.254 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185106 1224038285 /nfs/dbraw/zinc/03/82/85/1224038285.db2.gz MVRUYQHAOXVQTF-RHSMWYFYSA-N 2 2 370.457 0.796 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216396982 1224048619 /nfs/dbraw/zinc/04/86/19/1224048619.db2.gz LJUKHTPQLVYJAG-QLFBSQMISA-N 2 2 360.462 0.381 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001216631148 1224059448 /nfs/dbraw/zinc/05/94/48/1224059448.db2.gz XJADYFUIVLMTFO-TZMCWYRMSA-N 2 2 360.418 0.416 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001217011081 1224084242 /nfs/dbraw/zinc/08/42/42/1224084242.db2.gz XFVJTNRPXWHTQB-HLLBOEOZSA-N 2 2 362.430 0.490 20 0 FCADLP 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AQLIYBBNAPKZGN-VQIMIIECSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001518799296 1265682135 /nfs/dbraw/zinc/68/21/35/1265682135.db2.gz AQLIYBBNAPKZGN-VQIMIIECSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CN(C)CC[N@H+]1C ZINC001518799296 1265682137 /nfs/dbraw/zinc/68/21/37/1265682137.db2.gz AQLIYBBNAPKZGN-VQIMIIECSA-N 2 2 359.518 0.978 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001003745478 1253088909 /nfs/dbraw/zinc/08/89/09/1253088909.db2.gz NHTBFXVCSKGZAF-VQHPVUNQSA-N 2 2 357.458 0.473 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004368563 1253303866 /nfs/dbraw/zinc/30/38/66/1253303866.db2.gz DSGZSXNSKQGTDY-BMFZPTHFSA-N 2 2 356.430 0.416 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004372843 1253306667 /nfs/dbraw/zinc/30/66/67/1253306667.db2.gz ZLXUNKPVEDNDAC-BMFZPTHFSA-N 2 2 356.430 0.416 20 0 FCADLP Cc1ccccc1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329296401 1265728763 /nfs/dbraw/zinc/72/87/63/1265728763.db2.gz CLZUFWSEHMCGBF-GOSISDBHSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329296401 1265728770 /nfs/dbraw/zinc/72/87/70/1265728770.db2.gz CLZUFWSEHMCGBF-GOSISDBHSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001005586117 1253583614 /nfs/dbraw/zinc/58/36/14/1253583614.db2.gz VGKQXPCEJNFBFA-CRAIPNDOSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)ncn1 ZINC001005586117 1253583627 /nfs/dbraw/zinc/58/36/27/1253583627.db2.gz VGKQXPCEJNFBFA-CRAIPNDOSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001519642084 1265742369 /nfs/dbraw/zinc/74/23/69/1265742369.db2.gz MSBCMYJQCNXGAJ-CQSZACIVSA-N 2 2 351.451 0.576 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001519642084 1265742372 /nfs/dbraw/zinc/74/23/72/1265742372.db2.gz MSBCMYJQCNXGAJ-CQSZACIVSA-N 2 2 351.451 0.576 20 0 FCADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005756782 1253625576 /nfs/dbraw/zinc/62/55/76/1253625576.db2.gz UJFAJXRWCYXZOB-NXHRZFHOSA-N 2 2 369.506 0.170 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001006018585 1253686594 /nfs/dbraw/zinc/68/65/94/1253686594.db2.gz GZNONQSJCSBOCE-OAGGEKHMSA-N 2 2 359.474 0.677 20 0 FCADLP CCn1nncc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463641 1253855249 /nfs/dbraw/zinc/85/52/49/1253855249.db2.gz GDWAHIHHWCAOOO-BFYDXBDKSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027463641 1253855258 /nfs/dbraw/zinc/85/52/58/1253855258.db2.gz GDWAHIHHWCAOOO-BFYDXBDKSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027463641 1253855269 /nfs/dbraw/zinc/85/52/69/1253855269.db2.gz GDWAHIHHWCAOOO-BFYDXBDKSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1nncc1C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027463641 1253855275 /nfs/dbraw/zinc/85/52/75/1253855275.db2.gz GDWAHIHHWCAOOO-BFYDXBDKSA-N 2 2 364.494 0.440 20 0 FCADLP CCn1ccnc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766826 1253870946 /nfs/dbraw/zinc/87/09/46/1253870946.db2.gz HILGBQZHALYAMB-IXDOHACOSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766826 1253870964 /nfs/dbraw/zinc/87/09/64/1253870964.db2.gz HILGBQZHALYAMB-IXDOHACOSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766826 1253870976 /nfs/dbraw/zinc/87/09/76/1253870976.db2.gz HILGBQZHALYAMB-IXDOHACOSA-N 2 2 363.506 0.902 20 0 FCADLP CCn1ccnc1C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766826 1253870985 /nfs/dbraw/zinc/87/09/85/1253870985.db2.gz HILGBQZHALYAMB-IXDOHACOSA-N 2 2 363.506 0.902 20 0 FCADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001034697577 1254001408 /nfs/dbraw/zinc/00/14/08/1254001408.db2.gz QJAQVTUPWXHWRW-ZKXLYKBJSA-N 2 2 369.506 0.264 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196132 1254017700 /nfs/dbraw/zinc/01/77/00/1254017700.db2.gz USOJIVGHBRTHBZ-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196132 1254017710 /nfs/dbraw/zinc/01/77/10/1254017710.db2.gz USOJIVGHBRTHBZ-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196132 1254017719 /nfs/dbraw/zinc/01/77/19/1254017719.db2.gz USOJIVGHBRTHBZ-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196132 1254017731 /nfs/dbraw/zinc/01/77/31/1254017731.db2.gz USOJIVGHBRTHBZ-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369828 1254025029 /nfs/dbraw/zinc/02/50/29/1254025029.db2.gz ASWIFVJNPFKWEO-KURKYZTESA-N 2 2 369.506 0.197 20 0 FCADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035369828 1254025036 /nfs/dbraw/zinc/02/50/36/1254025036.db2.gz ASWIFVJNPFKWEO-KURKYZTESA-N 2 2 369.506 0.197 20 0 FCADLP Cc1noc(CCC[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001035376652 1254032216 /nfs/dbraw/zinc/03/22/16/1254032216.db2.gz RTRJRODUOPRSEV-FVQBIDKESA-N 2 2 365.478 0.468 20 0 FCADLP Cc1noc(CCC[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001035376652 1254032224 /nfs/dbraw/zinc/03/22/24/1254032224.db2.gz RTRJRODUOPRSEV-FVQBIDKESA-N 2 2 365.478 0.468 20 0 FCADLP Cc1noc(CCC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001035376652 1254032235 /nfs/dbraw/zinc/03/22/35/1254032235.db2.gz RTRJRODUOPRSEV-FVQBIDKESA-N 2 2 365.478 0.468 20 0 FCADLP Cc1noc(CCC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001035376652 1254032247 /nfs/dbraw/zinc/03/22/47/1254032247.db2.gz RTRJRODUOPRSEV-FVQBIDKESA-N 2 2 365.478 0.468 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNc3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001061012926 1254150856 /nfs/dbraw/zinc/15/08/56/1254150856.db2.gz NLQJEXVOHQBEEN-MGPQQGTHSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](CNc3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001061012926 1254150869 /nfs/dbraw/zinc/15/08/69/1254150869.db2.gz NLQJEXVOHQBEEN-MGPQQGTHSA-N 2 2 357.462 0.964 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCC1 ZINC001064581157 1254448901 /nfs/dbraw/zinc/44/89/01/1254448901.db2.gz AUDSSVMXZYSOAY-HUUCEWRRSA-N 2 2 359.474 0.775 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001065299098 1254507961 /nfs/dbraw/zinc/50/79/61/1254507961.db2.gz ZJQMECRCXJQBDZ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001065299098 1254507973 /nfs/dbraw/zinc/50/79/73/1254507973.db2.gz ZJQMECRCXJQBDZ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C(=O)CCCF)CC3)C2)CC[N@@H+]1C ZINC001065704708 1254580149 /nfs/dbraw/zinc/58/01/49/1254580149.db2.gz QPVRBCNPHJFUBH-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C(=O)CCCF)CC3)C2)CC[N@H+]1C ZINC001065704708 1254580158 /nfs/dbraw/zinc/58/01/58/1254580158.db2.gz QPVRBCNPHJFUBH-IXDOHACOSA-N 2 2 368.497 0.821 20 0 FCADLP Cc1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nc(C)[nH+]1 ZINC001066083828 1254592752 /nfs/dbraw/zinc/59/27/52/1254592752.db2.gz UDEQPAYYTKYXJV-MXASKKJJSA-N 2 2 359.474 0.707 20 0 FCADLP Cc1cc(N2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)nc(C)[nH+]1 ZINC001066083828 1254592765 /nfs/dbraw/zinc/59/27/65/1254592765.db2.gz UDEQPAYYTKYXJV-MXASKKJJSA-N 2 2 359.474 0.707 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444178 1254664217 /nfs/dbraw/zinc/66/42/17/1254664217.db2.gz NWFIKIAXCSQBOT-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444178 1254664228 /nfs/dbraw/zinc/66/42/28/1254664228.db2.gz NWFIKIAXCSQBOT-QRVBRYPASA-N 2 2 358.486 0.926 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675302 1254854723 /nfs/dbraw/zinc/85/47/23/1254854723.db2.gz IIIRRTRZFWAZPA-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675302 1254854733 /nfs/dbraw/zinc/85/47/33/1254854733.db2.gz IIIRRTRZFWAZPA-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675302 1254854747 /nfs/dbraw/zinc/85/47/47/1254854747.db2.gz IIIRRTRZFWAZPA-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1O ZINC001077675302 1254854759 /nfs/dbraw/zinc/85/47/59/1254854759.db2.gz IIIRRTRZFWAZPA-ZTFGCOKTSA-N 2 2 365.449 0.850 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@H]2O)C1 ZINC001077677779 1254858375 /nfs/dbraw/zinc/85/83/75/1254858375.db2.gz BHAFAWIFIHTYKA-QZTJIDSGSA-N 2 2 361.486 0.959 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3)C[C@H]2O)C1 ZINC001077677779 1254858384 /nfs/dbraw/zinc/85/83/84/1254858384.db2.gz BHAFAWIFIHTYKA-QZTJIDSGSA-N 2 2 361.486 0.959 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)C1 ZINC001077677779 1254858391 /nfs/dbraw/zinc/85/83/91/1254858391.db2.gz BHAFAWIFIHTYKA-QZTJIDSGSA-N 2 2 361.486 0.959 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)C1 ZINC001077677779 1254858396 /nfs/dbraw/zinc/85/83/96/1254858396.db2.gz BHAFAWIFIHTYKA-QZTJIDSGSA-N 2 2 361.486 0.959 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3ncccc3C)C[C@H]1O)C2 ZINC001077682699 1254874035 /nfs/dbraw/zinc/87/40/35/1254874035.db2.gz FXHCIVKIPOLBPT-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3ncccc3C)C[C@H]1O)C2 ZINC001077682699 1254874045 /nfs/dbraw/zinc/87/40/45/1254874045.db2.gz FXHCIVKIPOLBPT-ATZDWAIDSA-N 2 2 369.469 0.819 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001077691665 1254890304 /nfs/dbraw/zinc/89/03/04/1254890304.db2.gz YYDAQSJFSAYLFM-YWTNHNAXSA-N 2 2 354.454 0.928 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001077691665 1254890309 /nfs/dbraw/zinc/89/03/09/1254890309.db2.gz YYDAQSJFSAYLFM-YWTNHNAXSA-N 2 2 354.454 0.928 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838597 1255039548 /nfs/dbraw/zinc/03/95/48/1255039548.db2.gz FDESOXZVNBEHRH-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838597 1255039558 /nfs/dbraw/zinc/03/95/58/1255039558.db2.gz FDESOXZVNBEHRH-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001078012847 1255169467 /nfs/dbraw/zinc/16/94/67/1255169467.db2.gz DQUBFPJOKBVFET-HUUCEWRRSA-N 2 2 362.474 0.693 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001078012847 1255169472 /nfs/dbraw/zinc/16/94/72/1255169472.db2.gz DQUBFPJOKBVFET-HUUCEWRRSA-N 2 2 362.474 0.693 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001078079729 1255211263 /nfs/dbraw/zinc/21/12/63/1255211263.db2.gz HAIRKMDZTZIAFN-SJLPKXTDSA-N 2 2 357.458 0.688 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1O ZINC001078079729 1255211268 /nfs/dbraw/zinc/21/12/68/1255211268.db2.gz HAIRKMDZTZIAFN-SJLPKXTDSA-N 2 2 357.458 0.688 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001078182172 1255295983 /nfs/dbraw/zinc/29/59/83/1255295983.db2.gz IYBOCPGKFXOSEH-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001078182172 1255295994 /nfs/dbraw/zinc/29/59/94/1255295994.db2.gz IYBOCPGKFXOSEH-IAGOWNOFSA-N 2 2 364.396 0.874 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001078183253 1255298181 /nfs/dbraw/zinc/29/81/81/1255298181.db2.gz IGVQGUUTJFLNAI-QZTJIDSGSA-N 2 2 356.426 0.583 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001078183253 1255298189 /nfs/dbraw/zinc/29/81/89/1255298189.db2.gz IGVQGUUTJFLNAI-QZTJIDSGSA-N 2 2 356.426 0.583 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001078270259 1255374510 /nfs/dbraw/zinc/37/45/10/1255374510.db2.gz JHHCBFFKDFBSOP-QZTJIDSGSA-N 2 2 351.410 0.793 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001078270259 1255374519 /nfs/dbraw/zinc/37/45/19/1255374519.db2.gz JHHCBFFKDFBSOP-QZTJIDSGSA-N 2 2 351.410 0.793 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCCO1 ZINC001078434460 1255413306 /nfs/dbraw/zinc/41/33/06/1255413306.db2.gz HWTZRGYLQLHAGY-KURKYZTESA-N 2 2 369.506 0.482 20 0 FCADLP CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079129720 1255444310 /nfs/dbraw/zinc/44/43/10/1255444310.db2.gz CPWUEUKXJOFELH-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079129720 1255444312 /nfs/dbraw/zinc/44/43/12/1255444312.db2.gz CPWUEUKXJOFELH-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079129720 1255444319 /nfs/dbraw/zinc/44/43/19/1255444319.db2.gz CPWUEUKXJOFELH-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079129720 1255444322 /nfs/dbraw/zinc/44/43/22/1255444322.db2.gz CPWUEUKXJOFELH-GUDVDZBRSA-N 2 2 361.486 0.801 20 0 FCADLP COCC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079271523 1255497209 /nfs/dbraw/zinc/49/72/09/1255497209.db2.gz STAZSFKQSSNICW-DOTOQJQBSA-N 2 2 362.474 0.846 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526784 1255536173 /nfs/dbraw/zinc/53/61/73/1255536173.db2.gz SNPBMUPRHYDCEH-OIISXLGYSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526784 1255536180 /nfs/dbraw/zinc/53/61/80/1255536180.db2.gz SNPBMUPRHYDCEH-OIISXLGYSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526784 1255536189 /nfs/dbraw/zinc/53/61/89/1255536189.db2.gz SNPBMUPRHYDCEH-OIISXLGYSA-N 2 2 361.490 0.415 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526784 1255536197 /nfs/dbraw/zinc/53/61/97/1255536197.db2.gz SNPBMUPRHYDCEH-OIISXLGYSA-N 2 2 361.490 0.415 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cn1 ZINC001079717437 1255585509 /nfs/dbraw/zinc/58/55/09/1255585509.db2.gz IOGJJUBVMMDGTQ-RDTXWAMCSA-N 2 2 371.489 0.793 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)cn1 ZINC001079717437 1255585514 /nfs/dbraw/zinc/58/55/14/1255585514.db2.gz IOGJJUBVMMDGTQ-RDTXWAMCSA-N 2 2 371.489 0.793 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079950212 1255676924 /nfs/dbraw/zinc/67/69/24/1255676924.db2.gz HONICJSGONWAHX-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001079950212 1255676932 /nfs/dbraw/zinc/67/69/32/1255676932.db2.gz HONICJSGONWAHX-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079950212 1255676939 /nfs/dbraw/zinc/67/69/39/1255676939.db2.gz HONICJSGONWAHX-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001079950212 1255676946 /nfs/dbraw/zinc/67/69/46/1255676946.db2.gz HONICJSGONWAHX-MUIFIZLQSA-N 2 2 362.474 0.746 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962397 1255683666 /nfs/dbraw/zinc/68/36/66/1255683666.db2.gz HGHBGIYGHUBQMT-QIIPPGSGSA-N 2 2 368.441 0.871 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962397 1255683671 /nfs/dbraw/zinc/68/36/71/1255683671.db2.gz HGHBGIYGHUBQMT-QIIPPGSGSA-N 2 2 368.441 0.871 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011713 1255707440 /nfs/dbraw/zinc/70/74/40/1255707440.db2.gz HNRMTWCBLGDZMN-SJKOYZFVSA-N 2 2 355.442 0.971 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)ccc2c[nH+]cn21 ZINC001080011713 1255707443 /nfs/dbraw/zinc/70/74/43/1255707443.db2.gz HNRMTWCBLGDZMN-SJKOYZFVSA-N 2 2 355.442 0.971 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052807 1255726344 /nfs/dbraw/zinc/72/63/44/1255726344.db2.gz PJDXNBREMRTSMR-KCPJHIHWSA-N 2 2 355.398 0.190 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052807 1255726346 /nfs/dbraw/zinc/72/63/46/1255726346.db2.gz PJDXNBREMRTSMR-KCPJHIHWSA-N 2 2 355.398 0.190 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001080139029 1255756051 /nfs/dbraw/zinc/75/60/51/1255756051.db2.gz RQTSIDQMLCFVOE-CXAGYDPISA-N 2 2 371.441 0.972 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001080139029 1255756057 /nfs/dbraw/zinc/75/60/57/1255756057.db2.gz RQTSIDQMLCFVOE-CXAGYDPISA-N 2 2 371.441 0.972 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1)C(N)=O ZINC001081153976 1256195131 /nfs/dbraw/zinc/19/51/31/1256195131.db2.gz PDDPVNNQVMOKNF-BHYGNILZSA-N 2 2 355.442 0.731 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001081219330 1256209448 /nfs/dbraw/zinc/20/94/48/1256209448.db2.gz WUKGGXQJCYBMFF-UKPHBRMFSA-N 2 2 355.442 0.719 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481663 1256270519 /nfs/dbraw/zinc/27/05/19/1256270519.db2.gz QPOAXSMAUASHJV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481663 1256270521 /nfs/dbraw/zinc/27/05/21/1256270521.db2.gz QPOAXSMAUASHJV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481663 1256270522 /nfs/dbraw/zinc/27/05/22/1256270522.db2.gz QPOAXSMAUASHJV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C)c(C)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481663 1256270523 /nfs/dbraw/zinc/27/05/23/1256270523.db2.gz QPOAXSMAUASHJV-QRVBRYPASA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894758 1256438699 /nfs/dbraw/zinc/43/86/99/1256438699.db2.gz ALGYDBXLSRPBBE-BZUAXINKSA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894758 1256438701 /nfs/dbraw/zinc/43/87/01/1256438701.db2.gz ALGYDBXLSRPBBE-BZUAXINKSA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949472 1256468862 /nfs/dbraw/zinc/46/88/62/1256468862.db2.gz QUDUNXIFOJAYAV-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949472 1256468866 /nfs/dbraw/zinc/46/88/66/1256468866.db2.gz QUDUNXIFOJAYAV-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001081980630 1256481117 /nfs/dbraw/zinc/48/11/17/1256481117.db2.gz XLLOFNBHEPMQSS-KURKYZTESA-N 2 2 361.490 0.610 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001081980630 1256481121 /nfs/dbraw/zinc/48/11/21/1256481121.db2.gz XLLOFNBHEPMQSS-KURKYZTESA-N 2 2 361.490 0.610 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001082198850 1256585998 /nfs/dbraw/zinc/58/59/98/1256585998.db2.gz PESPNRHSMWMDGD-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001082198850 1256586001 /nfs/dbraw/zinc/58/60/01/1256586001.db2.gz PESPNRHSMWMDGD-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001082198850 1256586006 /nfs/dbraw/zinc/58/60/06/1256586006.db2.gz PESPNRHSMWMDGD-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001082198850 1256586009 /nfs/dbraw/zinc/58/60/09/1256586009.db2.gz PESPNRHSMWMDGD-KZNAEPCWSA-N 2 2 363.506 0.998 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001082296511 1256639806 /nfs/dbraw/zinc/63/98/06/1256639806.db2.gz SZLLVJPZVBKJEK-ZTFGCOKTSA-N 2 2 371.441 0.733 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001082296511 1256639810 /nfs/dbraw/zinc/63/98/10/1256639810.db2.gz SZLLVJPZVBKJEK-ZTFGCOKTSA-N 2 2 371.441 0.733 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001082301310 1256642223 /nfs/dbraw/zinc/64/22/23/1256642223.db2.gz NBDUNTNVBQBEOP-ARFHVFGLSA-N 2 2 361.490 0.973 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)o1 ZINC001082328600 1256671277 /nfs/dbraw/zinc/67/12/77/1256671277.db2.gz BLGYZDMDCIFQDM-GDBMZVCRSA-N 2 2 362.474 0.957 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)o1 ZINC001082328600 1256671281 /nfs/dbraw/zinc/67/12/81/1256671281.db2.gz BLGYZDMDCIFQDM-GDBMZVCRSA-N 2 2 362.474 0.957 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370127 1256719928 /nfs/dbraw/zinc/71/99/28/1256719928.db2.gz SZLYQWSPWNSITI-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370127 1256719931 /nfs/dbraw/zinc/71/99/31/1256719931.db2.gz SZLYQWSPWNSITI-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371630 1256721491 /nfs/dbraw/zinc/72/14/91/1256721491.db2.gz SJJRSZKKEUYSHF-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082371630 1256721498 /nfs/dbraw/zinc/72/14/98/1256721498.db2.gz SJJRSZKKEUYSHF-IAGOWNOFSA-N 2 2 371.441 0.306 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379092 1256729116 /nfs/dbraw/zinc/72/91/16/1256729116.db2.gz IZFAPUPPHMAPQV-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379092 1256729118 /nfs/dbraw/zinc/72/91/18/1256729118.db2.gz IZFAPUPPHMAPQV-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379092 1256729123 /nfs/dbraw/zinc/72/91/23/1256729123.db2.gz IZFAPUPPHMAPQV-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2OC)C1 ZINC001082379092 1256729126 /nfs/dbraw/zinc/72/91/26/1256729126.db2.gz IZFAPUPPHMAPQV-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384731 1256737183 /nfs/dbraw/zinc/73/71/83/1256737183.db2.gz JQLYNXSMENRUMN-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384731 1256737187 /nfs/dbraw/zinc/73/71/87/1256737187.db2.gz JQLYNXSMENRUMN-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384731 1256737191 /nfs/dbraw/zinc/73/71/91/1256737191.db2.gz JQLYNXSMENRUMN-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001082384731 1256737195 /nfs/dbraw/zinc/73/71/95/1256737195.db2.gz JQLYNXSMENRUMN-KZNAEPCWSA-N 2 2 363.506 0.918 20 0 FCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](OC)C2)cc1 ZINC001082395168 1256744160 /nfs/dbraw/zinc/74/41/60/1256744160.db2.gz YUOYCDXBEUSCIH-IAGOWNOFSA-N 2 2 371.441 0.258 20 0 FCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](OC)C2)cc1 ZINC001082395168 1256744166 /nfs/dbraw/zinc/74/41/66/1256744166.db2.gz YUOYCDXBEUSCIH-IAGOWNOFSA-N 2 2 371.441 0.258 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082492537 1256785419 /nfs/dbraw/zinc/78/54/19/1256785419.db2.gz ZEKZVTGVIZRRKN-QLFBSQMISA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082511568 1256797127 /nfs/dbraw/zinc/79/71/27/1256797127.db2.gz CPGDGGBFJMIIHQ-ZIAGYGMSSA-N 2 2 364.494 0.309 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082515413 1256800350 /nfs/dbraw/zinc/80/03/50/1256800350.db2.gz NCBKHRDFDJZPFB-BPLDGKMQSA-N 2 2 362.478 0.414 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)no1 ZINC001082558236 1256855781 /nfs/dbraw/zinc/85/57/81/1256855781.db2.gz GNKQHBKYZDHVDQ-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)n1 ZINC001082558522 1256858871 /nfs/dbraw/zinc/85/88/71/1256858871.db2.gz VUULORDOXQZAQM-YUELXQCFSA-N 2 2 361.450 0.141 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082570734 1256877116 /nfs/dbraw/zinc/87/71/16/1256877116.db2.gz WUYOGSOPEKONEX-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082570734 1256877125 /nfs/dbraw/zinc/87/71/25/1256877125.db2.gz WUYOGSOPEKONEX-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082603723 1256914343 /nfs/dbraw/zinc/91/43/43/1256914343.db2.gz OGQYLPMEHLLSEX-HYVNUMGLSA-N 2 2 369.469 0.781 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604358 1256915583 /nfs/dbraw/zinc/91/55/83/1256915583.db2.gz MGADLACPRACLDG-JKIFEVAISA-N 2 2 357.462 0.694 20 0 FCADLP COc1nccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)n1 ZINC001082604465 1256916193 /nfs/dbraw/zinc/91/61/93/1256916193.db2.gz QXUROACRHFKIKG-CKEIUWERSA-N 2 2 370.457 0.881 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)n1 ZINC001082617303 1256928236 /nfs/dbraw/zinc/92/82/36/1256928236.db2.gz JOCQSHCOBUMQMR-ZIAGYGMSSA-N 2 2 363.462 0.781 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)c1nnnn1C1CC1 ZINC001082673739 1256972852 /nfs/dbraw/zinc/97/28/52/1256972852.db2.gz KYKYPGRBDNMWIP-UMVBOHGHSA-N 2 2 358.450 0.792 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3nncn3C)C1)CC2 ZINC001082708572 1257001996 /nfs/dbraw/zinc/00/19/96/1257001996.db2.gz AYUOGVVWMDLFIP-XNRPHZJLSA-N 2 2 357.462 0.519 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)n3)C1)CC2 ZINC001082708710 1257002521 /nfs/dbraw/zinc/00/25/21/1257002521.db2.gz JBRHUXAAXPMXQK-SUYBPPKGSA-N 2 2 357.462 0.519 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001082741899 1257021937 /nfs/dbraw/zinc/02/19/37/1257021937.db2.gz IMCCMRZLBVINDF-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001082741899 1257021943 /nfs/dbraw/zinc/02/19/43/1257021943.db2.gz IMCCMRZLBVINDF-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001082745606 1257026581 /nfs/dbraw/zinc/02/65/81/1257026581.db2.gz ITCBKTTYPFBORU-RHSMWYFYSA-N 2 2 371.489 0.565 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001082860700 1257112450 /nfs/dbraw/zinc/11/24/50/1257112450.db2.gz HCKKPJSJQAQZDU-CXAGYDPISA-N 2 2 355.442 0.698 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC001082861194 1257112691 /nfs/dbraw/zinc/11/26/91/1257112691.db2.gz NOWQMQJIKHDXJW-CZUORRHYSA-N 2 2 371.489 0.995 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082861769 1257114039 /nfs/dbraw/zinc/11/40/39/1257114039.db2.gz OAAZJXYPXVDFST-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001082861769 1257114043 /nfs/dbraw/zinc/11/40/43/1257114043.db2.gz OAAZJXYPXVDFST-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001082884278 1257122705 /nfs/dbraw/zinc/12/27/05/1257122705.db2.gz LCZVZDJROSUJJN-SJKOYZFVSA-N 2 2 355.442 0.996 20 0 FCADLP COc1coc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cc1=O ZINC001082884956 1257123742 /nfs/dbraw/zinc/12/37/42/1257123742.db2.gz UWHDZNHFSZXAKV-IAQYHMDHSA-N 2 2 360.414 0.859 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC001082893102 1257128969 /nfs/dbraw/zinc/12/89/69/1257128969.db2.gz MGMHPRMEANMJKM-NVXWUHKLSA-N 2 2 361.490 0.802 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034428 1257227055 /nfs/dbraw/zinc/22/70/55/1257227055.db2.gz AKSMGUZUFURAGD-IPMKNSEASA-N 2 2 359.470 0.471 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034428 1257227061 /nfs/dbraw/zinc/22/70/61/1257227061.db2.gz AKSMGUZUFURAGD-IPMKNSEASA-N 2 2 359.470 0.471 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034428 1257227066 /nfs/dbraw/zinc/22/70/66/1257227066.db2.gz AKSMGUZUFURAGD-IPMKNSEASA-N 2 2 359.470 0.471 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccccc4)C[C@@H]32)C1 ZINC001083034428 1257227072 /nfs/dbraw/zinc/22/70/72/1257227072.db2.gz AKSMGUZUFURAGD-IPMKNSEASA-N 2 2 359.470 0.471 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083706 1257284406 /nfs/dbraw/zinc/28/44/06/1257284406.db2.gz HLIBHXNYXGFCQM-NZSAHSFTSA-N 2 2 371.485 0.538 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083706 1257284410 /nfs/dbraw/zinc/28/44/10/1257284410.db2.gz HLIBHXNYXGFCQM-NZSAHSFTSA-N 2 2 371.485 0.538 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084818 1257285070 /nfs/dbraw/zinc/28/50/70/1257285070.db2.gz IFOYQZBYKZPOMS-BHYGNILZSA-N 2 2 367.469 0.718 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084818 1257285075 /nfs/dbraw/zinc/28/50/75/1257285075.db2.gz IFOYQZBYKZPOMS-BHYGNILZSA-N 2 2 367.469 0.718 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085839 1257287895 /nfs/dbraw/zinc/28/78/95/1257287895.db2.gz OTOPPKKFANWAAK-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085839 1257287899 /nfs/dbraw/zinc/28/78/99/1257287899.db2.gz OTOPPKKFANWAAK-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085839 1257287902 /nfs/dbraw/zinc/28/79/02/1257287902.db2.gz OTOPPKKFANWAAK-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1cccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085839 1257287905 /nfs/dbraw/zinc/28/79/05/1257287905.db2.gz OTOPPKKFANWAAK-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC001330830207 1266105738 /nfs/dbraw/zinc/10/57/38/1266105738.db2.gz CYPDYLVBTNQXNR-LZLYRXPVSA-N 2 2 374.485 0.466 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@H]3C2)C1=O ZINC001083121494 1257353525 /nfs/dbraw/zinc/35/35/25/1257353525.db2.gz OGYNKSPREZMJJT-IXDOHACOSA-N 2 2 369.425 0.319 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@H]3C2)C1=O ZINC001083121494 1257353534 /nfs/dbraw/zinc/35/35/34/1257353534.db2.gz OGYNKSPREZMJJT-IXDOHACOSA-N 2 2 369.425 0.319 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083121416 1257353774 /nfs/dbraw/zinc/35/37/74/1257353774.db2.gz KGLIVUGIHMRHGB-IXDOHACOSA-N 2 2 369.425 0.367 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001083121416 1257353783 /nfs/dbraw/zinc/35/37/83/1257353783.db2.gz KGLIVUGIHMRHGB-IXDOHACOSA-N 2 2 369.425 0.367 20 0 FCADLP CC1(C)CO[C@@H](C[N@@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001083157556 1257414252 /nfs/dbraw/zinc/41/42/52/1257414252.db2.gz CPDVFSAPRVXMGX-IXDOHACOSA-N 2 2 362.474 1.000 20 0 FCADLP CC1(C)CO[C@@H](C[N@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001083157556 1257414256 /nfs/dbraw/zinc/41/42/56/1257414256.db2.gz CPDVFSAPRVXMGX-IXDOHACOSA-N 2 2 362.474 1.000 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001521342602 1266113307 /nfs/dbraw/zinc/11/33/07/1266113307.db2.gz LZIQEQRDFLEKEV-KURKYZTESA-N 2 2 369.554 0.763 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001521342602 1266113309 /nfs/dbraw/zinc/11/33/09/1266113309.db2.gz LZIQEQRDFLEKEV-KURKYZTESA-N 2 2 369.554 0.763 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1 ZINC001083645696 1257463275 /nfs/dbraw/zinc/46/32/75/1257463275.db2.gz OCDSLCIHEKTQJA-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](O)C2)cc1 ZINC001083645696 1257463278 /nfs/dbraw/zinc/46/32/78/1257463278.db2.gz OCDSLCIHEKTQJA-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083645702 1257464308 /nfs/dbraw/zinc/46/43/08/1257464308.db2.gz OFVHAGANVSCKJE-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001083645702 1257464314 /nfs/dbraw/zinc/46/43/14/1257464314.db2.gz OFVHAGANVSCKJE-SJORKVTESA-N 2 2 364.396 0.874 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083645439 1257464470 /nfs/dbraw/zinc/46/44/70/1257464470.db2.gz AMNSLWRTMUWCKK-MSOLQXFVSA-N 2 2 356.426 0.583 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083645439 1257464474 /nfs/dbraw/zinc/46/44/74/1257464474.db2.gz AMNSLWRTMUWCKK-MSOLQXFVSA-N 2 2 356.426 0.583 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723593 1257468028 /nfs/dbraw/zinc/46/80/28/1257468028.db2.gz QSCJSQKBVKVFIH-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723593 1257468030 /nfs/dbraw/zinc/46/80/30/1257468030.db2.gz QSCJSQKBVKVFIH-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723593 1257468035 /nfs/dbraw/zinc/46/80/35/1257468035.db2.gz QSCJSQKBVKVFIH-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2O)C1 ZINC001083723593 1257468038 /nfs/dbraw/zinc/46/80/38/1257468038.db2.gz QSCJSQKBVKVFIH-FGTMMUONSA-N 2 2 365.449 0.596 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](Cc3cncc(C)c3)C[C@@H]1O)CC2 ZINC001083731939 1257469652 /nfs/dbraw/zinc/46/96/52/1257469652.db2.gz VLGQBHVWDYHKNJ-QRQLOZEOSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc3cncc(C)c3)C[C@@H]1O)CC2 ZINC001083731939 1257469658 /nfs/dbraw/zinc/46/96/58/1257469658.db2.gz VLGQBHVWDYHKNJ-QRQLOZEOSA-N 2 2 369.469 0.819 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083733659 1257471796 /nfs/dbraw/zinc/47/17/96/1257471796.db2.gz YDFXCACKXYAHJR-OAGGEKHMSA-N 2 2 365.474 0.931 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001083733659 1257471802 /nfs/dbraw/zinc/47/18/02/1257471802.db2.gz YDFXCACKXYAHJR-OAGGEKHMSA-N 2 2 365.474 0.931 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778084 1257517926 /nfs/dbraw/zinc/51/79/26/1257517926.db2.gz ADVSSHCKPADTTI-ZMYBRWDISA-N 2 2 359.470 0.862 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778084 1257517928 /nfs/dbraw/zinc/51/79/28/1257517928.db2.gz ADVSSHCKPADTTI-ZMYBRWDISA-N 2 2 359.470 0.862 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778084 1257517932 /nfs/dbraw/zinc/51/79/32/1257517932.db2.gz ADVSSHCKPADTTI-ZMYBRWDISA-N 2 2 359.470 0.862 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001083778084 1257517933 /nfs/dbraw/zinc/51/79/33/1257517933.db2.gz ADVSSHCKPADTTI-ZMYBRWDISA-N 2 2 359.470 0.862 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779567 1257522320 /nfs/dbraw/zinc/52/23/20/1257522320.db2.gz IIIRRTRZFWAZPA-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779567 1257522329 /nfs/dbraw/zinc/52/23/29/1257522329.db2.gz IIIRRTRZFWAZPA-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779567 1257522337 /nfs/dbraw/zinc/52/23/37/1257522337.db2.gz IIIRRTRZFWAZPA-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083779567 1257522343 /nfs/dbraw/zinc/52/23/43/1257522343.db2.gz IIIRRTRZFWAZPA-QGTPRVQTSA-N 2 2 365.449 0.850 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@@H]1O)C2 ZINC001083781101 1257524325 /nfs/dbraw/zinc/52/43/25/1257524325.db2.gz UUPHNCKSZHINPB-OLMNPRSZSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@@H]1O)C2 ZINC001083781101 1257524328 /nfs/dbraw/zinc/52/43/28/1257524328.db2.gz UUPHNCKSZHINPB-OLMNPRSZSA-N 2 2 362.474 0.484 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H](O)C2)cn1 ZINC001083783154 1257530912 /nfs/dbraw/zinc/53/09/12/1257530912.db2.gz CELNFGTWOWUJAU-MOPGFXCFSA-N 2 2 371.485 0.499 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H](O)C2)cn1 ZINC001083783154 1257530917 /nfs/dbraw/zinc/53/09/17/1257530917.db2.gz CELNFGTWOWUJAU-MOPGFXCFSA-N 2 2 371.485 0.499 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001521477656 1266126501 /nfs/dbraw/zinc/12/65/01/1266126501.db2.gz TUNZKEQDCYUARK-UHFFFAOYSA-N 2 2 362.434 0.052 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896090 1257672064 /nfs/dbraw/zinc/67/20/64/1257672064.db2.gz VEJRSKVLUFCPRF-MSOLQXFVSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001083896090 1257672071 /nfs/dbraw/zinc/67/20/71/1257672071.db2.gz VEJRSKVLUFCPRF-MSOLQXFVSA-N 2 2 371.441 0.611 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001083908526 1257688639 /nfs/dbraw/zinc/68/86/39/1257688639.db2.gz IUVDYHUUVNUKAG-QGTPRVQTSA-N 2 2 361.490 0.819 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@@H]2O)CC1 ZINC001083908526 1257688643 /nfs/dbraw/zinc/68/86/43/1257688643.db2.gz IUVDYHUUVNUKAG-QGTPRVQTSA-N 2 2 361.490 0.819 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)n1 ZINC001083958849 1257749246 /nfs/dbraw/zinc/74/92/46/1257749246.db2.gz YURFPROQAZKCHY-CVEARBPZSA-N 2 2 360.458 0.237 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)n1 ZINC001083958849 1257749254 /nfs/dbraw/zinc/74/92/54/1257749254.db2.gz YURFPROQAZKCHY-CVEARBPZSA-N 2 2 360.458 0.237 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001084058052 1257870892 /nfs/dbraw/zinc/87/08/92/1257870892.db2.gz HXFPSNMZAZHTGP-MOPGFXCFSA-N 2 2 354.454 0.992 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001084058052 1257870901 /nfs/dbraw/zinc/87/09/01/1257870901.db2.gz HXFPSNMZAZHTGP-MOPGFXCFSA-N 2 2 354.454 0.992 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001084059488 1257877045 /nfs/dbraw/zinc/87/70/45/1257877045.db2.gz LDIGVPUVDGFVAY-MSOLQXFVSA-N 2 2 357.458 0.619 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001084059488 1257877056 /nfs/dbraw/zinc/87/70/56/1257877056.db2.gz LDIGVPUVDGFVAY-MSOLQXFVSA-N 2 2 357.458 0.619 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078149 1257904993 /nfs/dbraw/zinc/90/49/93/1257904993.db2.gz OKWMFAVAJJPBIU-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078149 1257904996 /nfs/dbraw/zinc/90/49/96/1257904996.db2.gz OKWMFAVAJJPBIU-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078149 1257905000 /nfs/dbraw/zinc/90/50/00/1257905000.db2.gz OKWMFAVAJJPBIU-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3C)C[C@@H]2O)C1 ZINC001084078149 1257905004 /nfs/dbraw/zinc/90/50/04/1257905004.db2.gz OKWMFAVAJJPBIU-FGTMMUONSA-N 2 2 365.449 0.516 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251405 1257988619 /nfs/dbraw/zinc/98/86/19/1257988619.db2.gz MERSFRJOZVPAEQ-ZTFGCOKTSA-N 2 2 371.441 0.586 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251405 1257988624 /nfs/dbraw/zinc/98/86/24/1257988624.db2.gz MERSFRJOZVPAEQ-ZTFGCOKTSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251405 1257988632 /nfs/dbraw/zinc/98/86/32/1257988632.db2.gz MERSFRJOZVPAEQ-ZTFGCOKTSA-N 2 2 371.441 0.586 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc5nonc5c4)C[C@H]32)C1 ZINC001084251405 1257988636 /nfs/dbraw/zinc/98/86/36/1257988636.db2.gz MERSFRJOZVPAEQ-ZTFGCOKTSA-N 2 2 371.441 0.586 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607775 1258195882 /nfs/dbraw/zinc/19/58/82/1258195882.db2.gz HYIBQXGYYHCWQN-KURKYZTESA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607775 1258195885 /nfs/dbraw/zinc/19/58/85/1258195885.db2.gz HYIBQXGYYHCWQN-KURKYZTESA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607775 1258195887 /nfs/dbraw/zinc/19/58/87/1258195887.db2.gz HYIBQXGYYHCWQN-KURKYZTESA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607775 1258195889 /nfs/dbraw/zinc/19/58/89/1258195889.db2.gz HYIBQXGYYHCWQN-KURKYZTESA-N 2 2 361.490 0.562 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001084614035 1258200828 /nfs/dbraw/zinc/20/08/28/1258200828.db2.gz AQCZYWCWEMGRMD-GDBMZVCRSA-N 2 2 358.446 0.779 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](CCn3cncn3)C[C@H]21 ZINC001084614035 1258200831 /nfs/dbraw/zinc/20/08/31/1258200831.db2.gz AQCZYWCWEMGRMD-GDBMZVCRSA-N 2 2 358.446 0.779 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001084615611 1258202182 /nfs/dbraw/zinc/20/21/82/1258202182.db2.gz FIFCOSTXOVGCPE-SOLBZPMBSA-N 2 2 369.473 0.578 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]31)CC2 ZINC001084615611 1258202183 /nfs/dbraw/zinc/20/21/83/1258202183.db2.gz FIFCOSTXOVGCPE-SOLBZPMBSA-N 2 2 369.473 0.578 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722189 1258265614 /nfs/dbraw/zinc/26/56/14/1258265614.db2.gz CQTPSUVDKJUEOS-SJLPKXTDSA-N 2 2 359.474 0.540 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722189 1258265619 /nfs/dbraw/zinc/26/56/19/1258265619.db2.gz CQTPSUVDKJUEOS-SJLPKXTDSA-N 2 2 359.474 0.540 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001084738291 1258278967 /nfs/dbraw/zinc/27/89/67/1258278967.db2.gz ATVUXWWKPUCCNS-QZTJIDSGSA-N 2 2 362.518 0.873 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001084738291 1258278970 /nfs/dbraw/zinc/27/89/70/1258278970.db2.gz ATVUXWWKPUCCNS-QZTJIDSGSA-N 2 2 362.518 0.873 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001084833967 1258380162 /nfs/dbraw/zinc/38/01/62/1258380162.db2.gz DUALGEFZTKVMGR-KBAYOESNSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001084833967 1258380168 /nfs/dbraw/zinc/38/01/68/1258380168.db2.gz DUALGEFZTKVMGR-KBAYOESNSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnn3C)C[C@H]21 ZINC001084834356 1258381435 /nfs/dbraw/zinc/38/14/35/1258381435.db2.gz WYQVMJVSIZCGKF-LZLYRXPVSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC001084834356 1258381444 /nfs/dbraw/zinc/38/14/44/1258381444.db2.gz WYQVMJVSIZCGKF-LZLYRXPVSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnn3C)C[C@H]21 ZINC001084834355 1258381872 /nfs/dbraw/zinc/38/18/72/1258381872.db2.gz WYQVMJVSIZCGKF-JFIYKMOQSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC001084834355 1258381876 /nfs/dbraw/zinc/38/18/76/1258381876.db2.gz WYQVMJVSIZCGKF-JFIYKMOQSA-N 2 2 361.490 0.421 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911142 1258433370 /nfs/dbraw/zinc/43/33/70/1258433370.db2.gz OXGPDPUHUAKGOU-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911142 1258433371 /nfs/dbraw/zinc/43/33/71/1258433371.db2.gz OXGPDPUHUAKGOU-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911142 1258433375 /nfs/dbraw/zinc/43/33/75/1258433375.db2.gz OXGPDPUHUAKGOU-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911142 1258433376 /nfs/dbraw/zinc/43/33/76/1258433376.db2.gz OXGPDPUHUAKGOU-BPQIPLTHSA-N 2 2 361.490 0.482 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]32)n1 ZINC001084941592 1258454422 /nfs/dbraw/zinc/45/44/22/1258454422.db2.gz RULRGLGPOOXBFT-NXHRZFHOSA-N 2 2 358.490 0.580 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@@H]32)n1 ZINC001084941592 1258454427 /nfs/dbraw/zinc/45/44/27/1258454427.db2.gz RULRGLGPOOXBFT-NXHRZFHOSA-N 2 2 358.490 0.580 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21)N1CCC1 ZINC001084958281 1258468887 /nfs/dbraw/zinc/46/88/87/1258468887.db2.gz TWEIGBXYBUVSGD-IKGGRYGDSA-N 2 2 371.485 0.916 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21)N1CCC1 ZINC001084958281 1258468891 /nfs/dbraw/zinc/46/88/91/1258468891.db2.gz TWEIGBXYBUVSGD-IKGGRYGDSA-N 2 2 371.485 0.916 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975452 1258488122 /nfs/dbraw/zinc/48/81/22/1258488122.db2.gz FVGFUEQVHDESNP-IKGGRYGDSA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975452 1258488126 /nfs/dbraw/zinc/48/81/26/1258488126.db2.gz FVGFUEQVHDESNP-IKGGRYGDSA-N 2 2 369.473 0.660 20 0 FCADLP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001084987138 1258500151 /nfs/dbraw/zinc/50/01/51/1258500151.db2.gz VINRRLYMAGLJOJ-CJNGLKHVSA-N 2 2 354.414 0.289 20 0 FCADLP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001084987138 1258500155 /nfs/dbraw/zinc/50/01/55/1258500155.db2.gz VINRRLYMAGLJOJ-CJNGLKHVSA-N 2 2 354.414 0.289 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001085152521 1258609364 /nfs/dbraw/zinc/60/93/64/1258609364.db2.gz HPYBPHFOGYAFPH-KFWWJZLASA-N 2 2 365.478 0.870 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001085152521 1258609375 /nfs/dbraw/zinc/60/93/75/1258609375.db2.gz HPYBPHFOGYAFPH-KFWWJZLASA-N 2 2 365.478 0.870 20 0 FCADLP COc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159298 1258611785 /nfs/dbraw/zinc/61/17/85/1258611785.db2.gz OMYFQTTXCZLDMS-BRWVUGGUSA-N 2 2 362.474 0.938 20 0 FCADLP COc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159298 1258611790 /nfs/dbraw/zinc/61/17/90/1258611790.db2.gz OMYFQTTXCZLDMS-BRWVUGGUSA-N 2 2 362.474 0.938 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]2C1 ZINC001088159144 1258673314 /nfs/dbraw/zinc/67/33/14/1258673314.db2.gz FEUNZSCQWJJPHH-KFWWJZLASA-N 2 2 368.441 0.535 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]2C1 ZINC001088159144 1258673321 /nfs/dbraw/zinc/67/33/21/1258673321.db2.gz FEUNZSCQWJJPHH-KFWWJZLASA-N 2 2 368.441 0.535 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168417 1258684490 /nfs/dbraw/zinc/68/44/90/1258684490.db2.gz BEFVGLXCKNEZEX-KFWWJZLASA-N 2 2 368.441 0.535 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168417 1258684497 /nfs/dbraw/zinc/68/44/97/1258684497.db2.gz BEFVGLXCKNEZEX-KFWWJZLASA-N 2 2 368.441 0.535 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168418 1258685665 /nfs/dbraw/zinc/68/56/65/1258685665.db2.gz BEFVGLXCKNEZEX-ZNMIVQPWSA-N 2 2 368.441 0.535 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168418 1258685674 /nfs/dbraw/zinc/68/56/74/1258685674.db2.gz BEFVGLXCKNEZEX-ZNMIVQPWSA-N 2 2 368.441 0.535 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001088170928 1258689880 /nfs/dbraw/zinc/68/98/80/1258689880.db2.gz OMHNNOJPGBQAQI-CVEARBPZSA-N 2 2 356.474 0.719 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001088170928 1258689890 /nfs/dbraw/zinc/68/98/90/1258689890.db2.gz OMHNNOJPGBQAQI-CVEARBPZSA-N 2 2 356.474 0.719 20 0 FCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088171309 1258690206 /nfs/dbraw/zinc/69/02/06/1258690206.db2.gz JQOPTCBEZWJTCI-QLFBSQMISA-N 2 2 359.474 0.698 20 0 FCADLP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)C[C@@H]3C2)C1=O ZINC001088171309 1258690214 /nfs/dbraw/zinc/69/02/14/1258690214.db2.gz JQOPTCBEZWJTCI-QLFBSQMISA-N 2 2 359.474 0.698 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088187316 1258708996 /nfs/dbraw/zinc/70/89/96/1258708996.db2.gz QCUAEMVUGUHZHH-CABCVRRESA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]2C1 ZINC001088187316 1258709004 /nfs/dbraw/zinc/70/90/04/1258709004.db2.gz QCUAEMVUGUHZHH-CABCVRRESA-N 2 2 359.474 0.412 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)nn1 ZINC001088202247 1258723591 /nfs/dbraw/zinc/72/35/91/1258723591.db2.gz QRVDXHLPVXRNPD-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)nn1 ZINC001088202247 1258723596 /nfs/dbraw/zinc/72/35/96/1258723596.db2.gz QRVDXHLPVXRNPD-CVEARBPZSA-N 2 2 370.457 0.971 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001088202361 1258723616 /nfs/dbraw/zinc/72/36/16/1258723616.db2.gz XHFKEQZWCKXCEV-CFVMTHIKSA-N 2 2 358.450 0.257 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001088202361 1258723619 /nfs/dbraw/zinc/72/36/19/1258723619.db2.gz XHFKEQZWCKXCEV-CFVMTHIKSA-N 2 2 358.450 0.257 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)cc1=O ZINC001088219611 1258741372 /nfs/dbraw/zinc/74/13/72/1258741372.db2.gz LWDZTZLOMDUWQP-SJORKVTESA-N 2 2 355.442 0.562 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)cc1=O ZINC001088219611 1258741375 /nfs/dbraw/zinc/74/13/75/1258741375.db2.gz LWDZTZLOMDUWQP-SJORKVTESA-N 2 2 355.442 0.562 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(CO[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001088234541 1258749437 /nfs/dbraw/zinc/74/94/37/1258749437.db2.gz VTUOBPSVAGJWGE-BRWVUGGUSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(CO[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001088234541 1258749439 /nfs/dbraw/zinc/74/94/39/1258749439.db2.gz VTUOBPSVAGJWGE-BRWVUGGUSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(CO[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001088234541 1258749441 /nfs/dbraw/zinc/74/94/41/1258749441.db2.gz VTUOBPSVAGJWGE-BRWVUGGUSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(CO[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001088234541 1258749443 /nfs/dbraw/zinc/74/94/43/1258749443.db2.gz VTUOBPSVAGJWGE-BRWVUGGUSA-N 2 2 362.474 0.835 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091725875 1258802946 /nfs/dbraw/zinc/80/29/46/1258802946.db2.gz QBWDUOOOSBTZGJ-OGWOLHLISA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091725875 1258802954 /nfs/dbraw/zinc/80/29/54/1258802954.db2.gz QBWDUOOOSBTZGJ-OGWOLHLISA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091725875 1258802962 /nfs/dbraw/zinc/80/29/62/1258802962.db2.gz QBWDUOOOSBTZGJ-OGWOLHLISA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001091725875 1258802971 /nfs/dbraw/zinc/80/29/71/1258802971.db2.gz QBWDUOOOSBTZGJ-OGWOLHLISA-N 2 2 369.473 0.902 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725901 1258803470 /nfs/dbraw/zinc/80/34/70/1258803470.db2.gz RIKGKEMJDRBSBU-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@]3(C)C2)C1=O ZINC001091725901 1258803477 /nfs/dbraw/zinc/80/34/77/1258803477.db2.gz RIKGKEMJDRBSBU-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725901 1258803482 /nfs/dbraw/zinc/80/34/82/1258803482.db2.gz RIKGKEMJDRBSBU-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@]3(C)C2)C1=O ZINC001091725901 1258803487 /nfs/dbraw/zinc/80/34/87/1258803487.db2.gz RIKGKEMJDRBSBU-OGWOLHLISA-N 2 2 359.474 0.743 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)nc1 ZINC001092722323 1258818606 /nfs/dbraw/zinc/81/86/06/1258818606.db2.gz ZWGPLOQSIODUNQ-QBPKDAKJSA-N 2 2 361.490 0.688 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)nc1 ZINC001092722323 1258818612 /nfs/dbraw/zinc/81/86/12/1258818612.db2.gz ZWGPLOQSIODUNQ-QBPKDAKJSA-N 2 2 361.490 0.688 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)nc1 ZINC001092722323 1258818620 /nfs/dbraw/zinc/81/86/20/1258818620.db2.gz ZWGPLOQSIODUNQ-QBPKDAKJSA-N 2 2 361.490 0.688 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)nc1 ZINC001092722323 1258818631 /nfs/dbraw/zinc/81/86/31/1258818631.db2.gz ZWGPLOQSIODUNQ-QBPKDAKJSA-N 2 2 361.490 0.688 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001092748403 1258823564 /nfs/dbraw/zinc/82/35/64/1258823564.db2.gz XDPPEURXOHUTFQ-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001092748403 1258823573 /nfs/dbraw/zinc/82/35/73/1258823573.db2.gz XDPPEURXOHUTFQ-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092749078 1258826410 /nfs/dbraw/zinc/82/64/10/1258826410.db2.gz RHFVATKBOKYNNP-VHDGCEQUSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)C2 ZINC001092749078 1258826414 /nfs/dbraw/zinc/82/64/14/1258826414.db2.gz RHFVATKBOKYNNP-VHDGCEQUSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092749078 1258826422 /nfs/dbraw/zinc/82/64/22/1258826422.db2.gz RHFVATKBOKYNNP-VHDGCEQUSA-N 2 2 361.490 0.595 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1C)CC2 ZINC001092749078 1258826429 /nfs/dbraw/zinc/82/64/29/1258826429.db2.gz RHFVATKBOKYNNP-VHDGCEQUSA-N 2 2 361.490 0.595 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782399 1258844057 /nfs/dbraw/zinc/84/40/57/1258844057.db2.gz MKJJJMQMQTVCDZ-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001092782399 1258844061 /nfs/dbraw/zinc/84/40/61/1258844061.db2.gz MKJJJMQMQTVCDZ-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782605 1258844828 /nfs/dbraw/zinc/84/48/28/1258844828.db2.gz RUGXTYWMOVDIRR-VNHYZAJKSA-N 2 2 368.445 0.917 20 0 FCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782605 1258844830 /nfs/dbraw/zinc/84/48/30/1258844830.db2.gz RUGXTYWMOVDIRR-VNHYZAJKSA-N 2 2 368.445 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104363891 1258915404 /nfs/dbraw/zinc/91/54/04/1258915404.db2.gz MTWUPLKZKXLXMC-OWCLPIDISA-N 2 2 371.489 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104364061 1258915629 /nfs/dbraw/zinc/91/56/29/1258915629.db2.gz VHLPGTUKGYFTAX-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]Cc1ncnn1C ZINC001104440611 1258918325 /nfs/dbraw/zinc/91/83/25/1258918325.db2.gz OFESMRCBKIBOCT-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104440434 1258918398 /nfs/dbraw/zinc/91/83/98/1258918398.db2.gz GHYXTLSJYTWQLX-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104440377 1258918578 /nfs/dbraw/zinc/91/85/78/1258918578.db2.gz BOSFQYPTOZAFJY-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106655647 1258934160 /nfs/dbraw/zinc/93/41/60/1258934160.db2.gz XJHKCJJYNZYDNZ-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001106722069 1258946527 /nfs/dbraw/zinc/94/65/27/1258946527.db2.gz RZHNOQSNWABUTN-HZPDHXFCSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106748036 1258953085 /nfs/dbraw/zinc/95/30/85/1258953085.db2.gz GDVYFCUZUCXKCJ-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106748036 1258953095 /nfs/dbraw/zinc/95/30/95/1258953095.db2.gz GDVYFCUZUCXKCJ-ARFHVFGLSA-N 2 2 361.490 0.895 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NCc1cccnc1 ZINC001107077498 1259027814 /nfs/dbraw/zinc/02/78/14/1259027814.db2.gz FKPFXPOHFHMMHH-NVXWUHKLSA-N 2 2 370.457 0.279 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001107078131 1259028146 /nfs/dbraw/zinc/02/81/46/1259028146.db2.gz BILDCFOBRKMSOB-BRWVUGGUSA-N 2 2 361.490 0.826 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001107440922 1259090514 /nfs/dbraw/zinc/09/05/14/1259090514.db2.gz BRAUOFAPYCJJAD-FXRXJOCMSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001107440922 1259090521 /nfs/dbraw/zinc/09/05/21/1259090521.db2.gz BRAUOFAPYCJJAD-FXRXJOCMSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001107440922 1259090530 /nfs/dbraw/zinc/09/05/30/1259090530.db2.gz BRAUOFAPYCJJAD-FXRXJOCMSA-N 2 2 362.474 0.883 20 0 FCADLP O=C(NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001107440922 1259090538 /nfs/dbraw/zinc/09/05/38/1259090538.db2.gz BRAUOFAPYCJJAD-FXRXJOCMSA-N 2 2 362.474 0.883 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@]3(CNC(=O)CCn4cc[nH+]c4)CCC[C@@H]23)nn1 ZINC001107491887 1259102715 /nfs/dbraw/zinc/10/27/15/1259102715.db2.gz OGLAJRFGEUVLIV-SJLPKXTDSA-N 2 2 357.462 0.963 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@]3(CNC(=O)CCn4cc[nH+]c4)CCC[C@@H]23)nn1 ZINC001107491887 1259102717 /nfs/dbraw/zinc/10/27/17/1259102717.db2.gz OGLAJRFGEUVLIV-SJLPKXTDSA-N 2 2 357.462 0.963 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609404 1259131644 /nfs/dbraw/zinc/13/16/44/1259131644.db2.gz QOIUOFSAGPKGFR-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609404 1259131648 /nfs/dbraw/zinc/13/16/48/1259131648.db2.gz QOIUOFSAGPKGFR-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609404 1259131653 /nfs/dbraw/zinc/13/16/53/1259131653.db2.gz QOIUOFSAGPKGFR-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP Cn1nnnc1C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609404 1259131660 /nfs/dbraw/zinc/13/16/60/1259131660.db2.gz QOIUOFSAGPKGFR-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCOCC2)CCC1 ZINC001109403532 1259157772 /nfs/dbraw/zinc/15/77/72/1259157772.db2.gz LRQZNQXCCBXPAF-PMPSAXMXSA-N 2 2 364.490 0.051 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCOCC2)CCC1 ZINC001109403532 1259157776 /nfs/dbraw/zinc/15/77/76/1259157776.db2.gz LRQZNQXCCBXPAF-PMPSAXMXSA-N 2 2 364.490 0.051 20 0 FCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127571687 1259181190 /nfs/dbraw/zinc/18/11/90/1259181190.db2.gz XOEJZGVBSWROQQ-PBHICJAKSA-N 2 2 365.478 0.585 20 0 FCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC001127571717 1259181341 /nfs/dbraw/zinc/18/13/41/1259181341.db2.gz ZMHNIYKOJAYASR-WQVCFCJDSA-N 2 2 365.478 0.892 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271451 1259360735 /nfs/dbraw/zinc/36/07/35/1259360735.db2.gz FRPZGJMNUUGNQX-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271451 1259360741 /nfs/dbraw/zinc/36/07/41/1259360741.db2.gz FRPZGJMNUUGNQX-PMPSAXMXSA-N 2 2 361.450 0.456 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C1 ZINC001160651714 1259386125 /nfs/dbraw/zinc/38/61/25/1259386125.db2.gz WANVRLSKAMRYEE-MWDXBVQZSA-N 2 2 358.442 0.688 20 0 FCADLP COCc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(-c2ccnc(C)n2)n1 ZINC001168736519 1259391273 /nfs/dbraw/zinc/39/12/73/1259391273.db2.gz NUGOQFWLHNOAAB-UHFFFAOYSA-N 2 2 356.434 0.982 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642765 1259402846 /nfs/dbraw/zinc/40/28/46/1259402846.db2.gz HZRZQPMNDQCULD-YQVWRLOYSA-N 2 2 362.518 0.920 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001188642765 1259402853 /nfs/dbraw/zinc/40/28/53/1259402853.db2.gz HZRZQPMNDQCULD-YQVWRLOYSA-N 2 2 362.518 0.920 20 0 FCADLP COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200727672 1259418670 /nfs/dbraw/zinc/41/86/70/1259418670.db2.gz AHRHTEWFXJUPTH-ARFHVFGLSA-N 2 2 366.462 0.383 20 0 FCADLP COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200727672 1259418674 /nfs/dbraw/zinc/41/86/74/1259418674.db2.gz AHRHTEWFXJUPTH-ARFHVFGLSA-N 2 2 366.462 0.383 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680316 1259428054 /nfs/dbraw/zinc/42/80/54/1259428054.db2.gz PUYCKGHNIGZOIZ-FGTMMUONSA-N 2 2 358.442 0.544 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2OC)CC[N@@H+]1C ZINC001212299541 1259456011 /nfs/dbraw/zinc/45/60/11/1259456011.db2.gz KSXJUKLAFCFETI-YLFCFFPRSA-N 2 2 368.522 0.399 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@H]2OC)CC[N@H+]1C ZINC001212299541 1259456015 /nfs/dbraw/zinc/45/60/15/1259456015.db2.gz KSXJUKLAFCFETI-YLFCFFPRSA-N 2 2 368.522 0.399 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2OC)CC[NH+]1C ZINC001212299541 1259456018 /nfs/dbraw/zinc/45/60/18/1259456018.db2.gz KSXJUKLAFCFETI-YLFCFFPRSA-N 2 2 368.522 0.399 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2OC)CC[NH+]1C ZINC001212299541 1259456020 /nfs/dbraw/zinc/45/60/20/1259456020.db2.gz KSXJUKLAFCFETI-YLFCFFPRSA-N 2 2 368.522 0.399 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2OC)CC[N@@H+]1C ZINC001212299185 1259456580 /nfs/dbraw/zinc/45/65/80/1259456580.db2.gz BGVYTFDKKPUDEN-ZJIFWQFVSA-N 2 2 368.522 0.447 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2OC)CC[N@H+]1C ZINC001212299185 1259456583 /nfs/dbraw/zinc/45/65/83/1259456583.db2.gz BGVYTFDKKPUDEN-ZJIFWQFVSA-N 2 2 368.522 0.447 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2OC)CC[NH+]1C ZINC001212299185 1259456589 /nfs/dbraw/zinc/45/65/89/1259456589.db2.gz BGVYTFDKKPUDEN-ZJIFWQFVSA-N 2 2 368.522 0.447 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2OC)CC[NH+]1C ZINC001212299185 1259456594 /nfs/dbraw/zinc/45/65/94/1259456594.db2.gz BGVYTFDKKPUDEN-ZJIFWQFVSA-N 2 2 368.522 0.447 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406234 1259491968 /nfs/dbraw/zinc/49/19/68/1259491968.db2.gz MEHWNFUYDJWUGV-IXDOHACOSA-N 2 2 367.494 0.055 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406234 1259491976 /nfs/dbraw/zinc/49/19/76/1259491976.db2.gz MEHWNFUYDJWUGV-IXDOHACOSA-N 2 2 367.494 0.055 20 0 FCADLP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405951 1259492576 /nfs/dbraw/zinc/49/25/76/1259492576.db2.gz GEKUKNSHNSBVAX-AJSYRKLNSA-N 2 2 363.506 0.985 20 0 FCADLP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405951 1259492580 /nfs/dbraw/zinc/49/25/80/1259492580.db2.gz GEKUKNSHNSBVAX-AJSYRKLNSA-N 2 2 363.506 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407697 1259493925 /nfs/dbraw/zinc/49/39/25/1259493925.db2.gz CZDFDBOSZKTDMX-BZUAXINKSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407697 1259493928 /nfs/dbraw/zinc/49/39/28/1259493928.db2.gz CZDFDBOSZKTDMX-BZUAXINKSA-N 2 2 366.506 0.295 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)c1 ZINC001212414247 1259495812 /nfs/dbraw/zinc/49/58/12/1259495812.db2.gz HOAPAMCIBGVXQG-QZTJIDSGSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](OC)C2)c1 ZINC001212414247 1259495817 /nfs/dbraw/zinc/49/58/17/1259495817.db2.gz HOAPAMCIBGVXQG-QZTJIDSGSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H](OC)C2)c1 ZINC001212414247 1259495819 /nfs/dbraw/zinc/49/58/19/1259495819.db2.gz HOAPAMCIBGVXQG-QZTJIDSGSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H](OC)C2)c1 ZINC001212414247 1259495821 /nfs/dbraw/zinc/49/58/21/1259495821.db2.gz HOAPAMCIBGVXQG-QZTJIDSGSA-N 2 2 362.474 0.890 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418109 1259496781 /nfs/dbraw/zinc/49/67/81/1259496781.db2.gz BEOMONDUOFOSSI-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212418109 1259496785 /nfs/dbraw/zinc/49/67/85/1259496785.db2.gz BEOMONDUOFOSSI-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212418109 1259496789 /nfs/dbraw/zinc/49/67/89/1259496789.db2.gz BEOMONDUOFOSSI-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212418109 1259496795 /nfs/dbraw/zinc/49/67/95/1259496795.db2.gz BEOMONDUOFOSSI-NUEKZKHPSA-N 2 2 368.522 0.589 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414932 1259497879 /nfs/dbraw/zinc/49/78/79/1259497879.db2.gz YXLGVUSZVURWDK-NVXWUHKLSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414932 1259497883 /nfs/dbraw/zinc/49/78/83/1259497883.db2.gz YXLGVUSZVURWDK-NVXWUHKLSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414932 1259497885 /nfs/dbraw/zinc/49/78/85/1259497885.db2.gz YXLGVUSZVURWDK-NVXWUHKLSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414932 1259497889 /nfs/dbraw/zinc/49/78/89/1259497889.db2.gz YXLGVUSZVURWDK-NVXWUHKLSA-N 2 2 364.494 0.406 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430618 1259502063 /nfs/dbraw/zinc/50/20/63/1259502063.db2.gz ULKBOMATUKNNBY-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430618 1259502070 /nfs/dbraw/zinc/50/20/70/1259502070.db2.gz ULKBOMATUKNNBY-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430618 1259502075 /nfs/dbraw/zinc/50/20/75/1259502075.db2.gz ULKBOMATUKNNBY-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnc(C)nc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430618 1259502079 /nfs/dbraw/zinc/50/20/79/1259502079.db2.gz ULKBOMATUKNNBY-KZNAEPCWSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001212477101 1259517788 /nfs/dbraw/zinc/51/77/88/1259517788.db2.gz SFKRIDJWLRTJIG-KBAYOESNSA-N 2 2 364.490 0.934 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001212477101 1259517796 /nfs/dbraw/zinc/51/77/96/1259517796.db2.gz SFKRIDJWLRTJIG-KBAYOESNSA-N 2 2 364.490 0.934 20 0 FCADLP CO[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212495530 1259525188 /nfs/dbraw/zinc/52/51/88/1259525188.db2.gz ISBWETZEAFYSBI-IAGOWNOFSA-N 2 2 368.478 0.980 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCOC(C)C)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001212495530 1259525193 /nfs/dbraw/zinc/52/51/93/1259525193.db2.gz ISBWETZEAFYSBI-IAGOWNOFSA-N 2 2 368.478 0.980 20 0 FCADLP C[NH+]1CCN(c2ncc(-c3cnc(N4CC[NH+](C)CC4)nc3)cn2)CC1 ZINC001235917540 1259586150 /nfs/dbraw/zinc/58/61/50/1259586150.db2.gz LBDFDJUPSSZGNR-UHFFFAOYSA-N 2 2 354.462 0.437 20 0 FCADLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cn(-c4cnccn4)cn3)CC[C@@H]2C1 ZINC001238808896 1259620682 /nfs/dbraw/zinc/62/06/82/1259620682.db2.gz UEADJIOTOZCGAA-SJLPKXTDSA-N 2 2 372.473 0.831 20 0 FCADLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cn(-c4cnccn4)cn3)CC[C@@H]2C1 ZINC001238808896 1259620691 /nfs/dbraw/zinc/62/06/91/1259620691.db2.gz UEADJIOTOZCGAA-SJLPKXTDSA-N 2 2 372.473 0.831 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cn(-c4cnccn4)cn3)CC[C@@H]2C1 ZINC001238808896 1259620700 /nfs/dbraw/zinc/62/07/00/1259620700.db2.gz UEADJIOTOZCGAA-SJLPKXTDSA-N 2 2 372.473 0.831 20 0 FCADLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cn(-c4cnccn4)cn3)CC[C@@H]2C1 ZINC001238808896 1259620706 /nfs/dbraw/zinc/62/07/06/1259620706.db2.gz UEADJIOTOZCGAA-SJLPKXTDSA-N 2 2 372.473 0.831 20 0 FCADLP C[NH+]1CCN(C(=O)c2cccc(-c3ccnc(N4CC[NH2+]CC4)n3)c2)CC1 ZINC001241876599 1259632461 /nfs/dbraw/zinc/63/24/61/1259632461.db2.gz MMCDOGUCJNTRNB-UHFFFAOYSA-N 2 2 366.469 0.941 20 0 FCADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCc1ccccc1 ZINC001246190396 1259649984 /nfs/dbraw/zinc/64/99/84/1259649984.db2.gz CSUIBUKWMDHLJE-MSOLQXFVSA-N 3 2 360.502 0.911 20 0 FCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651362 1259660557 /nfs/dbraw/zinc/66/05/57/1259660557.db2.gz CYVLLLSCBYRKCH-BIENJYKASA-N 2 2 374.489 0.416 20 0 FCADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651362 1259660567 /nfs/dbraw/zinc/66/05/67/1259660567.db2.gz CYVLLLSCBYRKCH-BIENJYKASA-N 2 2 374.489 0.416 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H](OC)[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)C[NH2+]1 ZINC001246716711 1259667734 /nfs/dbraw/zinc/66/77/34/1259667734.db2.gz GLCROOBNCDZZHH-LTFXXXRZSA-N 2 2 374.485 0.506 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H](OC)[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)C[NH2+]1 ZINC001246716711 1259667742 /nfs/dbraw/zinc/66/77/42/1259667742.db2.gz GLCROOBNCDZZHH-LTFXXXRZSA-N 2 2 374.485 0.506 20 0 FCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)CC[NH2+]1 ZINC001246738599 1259675536 /nfs/dbraw/zinc/67/55/36/1259675536.db2.gz QAAGMIBDWOTBFN-WTNVTLLGSA-N 2 2 359.474 0.826 20 0 FCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)CC[NH2+]1 ZINC001246738599 1259675542 /nfs/dbraw/zinc/67/55/42/1259675542.db2.gz QAAGMIBDWOTBFN-WTNVTLLGSA-N 2 2 359.474 0.826 20 0 FCADLP O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739869 1259675584 /nfs/dbraw/zinc/67/55/84/1259675584.db2.gz UFLPNVJWFDORHI-FSTVHZNDSA-N 2 2 371.485 0.969 20 0 FCADLP O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnnc1 ZINC001246739869 1259675591 /nfs/dbraw/zinc/67/55/91/1259675591.db2.gz UFLPNVJWFDORHI-FSTVHZNDSA-N 2 2 371.485 0.969 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C[NH2+]1 ZINC001246770170 1259686775 /nfs/dbraw/zinc/68/67/75/1259686775.db2.gz UHGMUUDZNGGRPG-FDPKGLCPSA-N 2 2 360.458 0.559 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)C[NH2+]1 ZINC001246777914 1259688255 /nfs/dbraw/zinc/68/82/55/1259688255.db2.gz XFVCYCCMGVOLEN-KGLIPLIRSA-N 2 2 371.445 0.077 20 0 FCADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1[NH3+] ZINC001246929450 1259695399 /nfs/dbraw/zinc/69/53/99/1259695399.db2.gz DGNYHTHVIPRRIX-HDDXRBDOSA-N 2 2 359.470 0.851 20 0 FCADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1[NH3+] ZINC001246929450 1259695421 /nfs/dbraw/zinc/69/54/21/1259695421.db2.gz DGNYHTHVIPRRIX-HDDXRBDOSA-N 2 2 359.470 0.851 20 0 FCADLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCc4nn[nH]n4)n3)cc2)CC1 ZINC001247285357 1259699067 /nfs/dbraw/zinc/69/90/67/1259699067.db2.gz XQUJMJXVMMQQIP-AWEZNQCLSA-N 2 2 369.433 0.634 20 0 FCADLP O[C@@H](CN1CCn2cc(C[NH+]3CCCCC3)nc2C1)C[NH+]1CCOCC1 ZINC001251018363 1259730683 /nfs/dbraw/zinc/73/06/83/1259730683.db2.gz YBFULJKUROUEKB-GOSISDBHSA-N 2 2 363.506 0.378 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335629939 1259752039 /nfs/dbraw/zinc/75/20/39/1259752039.db2.gz ONCJTBLRMUVDTJ-JKSUJKDBSA-N 2 2 354.495 0.555 20 0 FCADLP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001331766630 1266283050 /nfs/dbraw/zinc/28/30/50/1266283050.db2.gz NJLUURMOAQXHQR-WOVMCDHWSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001331766630 1266283058 /nfs/dbraw/zinc/28/30/58/1266283058.db2.gz NJLUURMOAQXHQR-WOVMCDHWSA-N 2 2 368.522 0.543 20 0 FCADLP Cc1ccc(NCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)[nH+]c1 ZINC001335646902 1259762770 /nfs/dbraw/zinc/76/27/70/1259762770.db2.gz ZQSFQGDTMOBADS-HNNXBMFYSA-N 2 2 360.462 0.408 20 0 FCADLP COCC(=O)N[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001252934551 1259813333 /nfs/dbraw/zinc/81/33/33/1259813333.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)N[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001252934551 1259813338 /nfs/dbraw/zinc/81/33/38/1259813338.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)N[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252934551 1259813345 /nfs/dbraw/zinc/81/33/45/1259813345.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)N[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252934551 1259813352 /nfs/dbraw/zinc/81/33/52/1259813352.db2.gz VEXDNIHWHMGEFZ-QUCCMNQESA-N 2 2 361.486 0.850 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950850 1259814353 /nfs/dbraw/zinc/81/43/53/1259814353.db2.gz HIWMTPNKGLBBKD-MJGOQNOKSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950850 1259814360 /nfs/dbraw/zinc/81/43/60/1259814360.db2.gz HIWMTPNKGLBBKD-MJGOQNOKSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950850 1259814365 /nfs/dbraw/zinc/81/43/65/1259814365.db2.gz HIWMTPNKGLBBKD-MJGOQNOKSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950850 1259814367 /nfs/dbraw/zinc/81/43/67/1259814367.db2.gz HIWMTPNKGLBBKD-MJGOQNOKSA-N 2 2 358.442 0.720 20 0 FCADLP CN(C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335774450 1259833450 /nfs/dbraw/zinc/83/34/50/1259833450.db2.gz VMUZDRFYGKJJLU-FUHWJXTLSA-N 2 2 374.489 0.540 20 0 FCADLP CN(C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335774450 1259833456 /nfs/dbraw/zinc/83/34/56/1259833456.db2.gz VMUZDRFYGKJJLU-FUHWJXTLSA-N 2 2 374.489 0.540 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001253760870 1259854065 /nfs/dbraw/zinc/85/40/65/1259854065.db2.gz JBXWSTLFCXZONT-SJLPKXTDSA-N 2 2 366.506 0.685 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001253760870 1259854073 /nfs/dbraw/zinc/85/40/73/1259854073.db2.gz JBXWSTLFCXZONT-SJLPKXTDSA-N 2 2 366.506 0.685 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001331821385 1266292469 /nfs/dbraw/zinc/29/24/69/1266292469.db2.gz MYZISDNXGVWEEQ-RBUKOAKNSA-N 2 2 360.502 0.817 20 0 FCADLP COC1CCC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001255453518 1259915370 /nfs/dbraw/zinc/91/53/70/1259915370.db2.gz BNMNBDMHAYFRMS-UAOKOLBASA-N 2 2 363.462 0.359 20 0 FCADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001255955942 1259928788 /nfs/dbraw/zinc/92/87/88/1259928788.db2.gz XUASIYNGORGBBS-YOEHRIQHSA-N 2 2 364.490 0.615 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(F)n1 ZINC001261119411 1260076291 /nfs/dbraw/zinc/07/62/91/1260076291.db2.gz MFWISLXODMPALB-UHFFFAOYSA-N 2 2 365.453 0.321 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cccc(F)n1 ZINC001261119411 1260076297 /nfs/dbraw/zinc/07/62/97/1260076297.db2.gz MFWISLXODMPALB-UHFFFAOYSA-N 2 2 365.453 0.321 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C[NH+]3CCC(CO)CC3)CC2)nc(C)[nH+]1 ZINC001336390127 1260111797 /nfs/dbraw/zinc/11/17/97/1260111797.db2.gz SFDQRKYDOCLZOT-UHFFFAOYSA-N 2 2 361.490 0.883 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC001336974513 1260272366 /nfs/dbraw/zinc/27/23/66/1260272366.db2.gz YUUUJLUBYPDQKW-XLIONFOSSA-N 3 2 373.501 0.965 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001262564501 1260328641 /nfs/dbraw/zinc/32/86/41/1260328641.db2.gz KBDAQTMRDUYXJW-LJQANCHMSA-N 2 2 363.502 0.954 20 0 FCADLP CN(CC(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1)c1cccc[nH+]1 ZINC001272724039 1260488636 /nfs/dbraw/zinc/48/86/36/1260488636.db2.gz IBDSSKDXYZTANE-LJQANCHMSA-N 2 2 359.474 0.530 20 0 FCADLP CN(C)C(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001272763659 1260501346 /nfs/dbraw/zinc/50/13/46/1260501346.db2.gz VYWRWAORCSYJCS-KLHDSHLOSA-N 2 2 361.490 0.876 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273210331 1260623515 /nfs/dbraw/zinc/62/35/15/1260623515.db2.gz MBNBWKKJAJRLLD-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCCC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001273210331 1260623523 /nfs/dbraw/zinc/62/35/23/1260623523.db2.gz MBNBWKKJAJRLLD-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001273210331 1260623529 /nfs/dbraw/zinc/62/35/29/1260623529.db2.gz MBNBWKKJAJRLLD-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001273210331 1260623534 /nfs/dbraw/zinc/62/35/34/1260623534.db2.gz MBNBWKKJAJRLLD-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211421 1260625290 /nfs/dbraw/zinc/62/52/90/1260625290.db2.gz XRSAMGUHPCIEJK-MJGOQNOKSA-N 2 2 361.490 0.945 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211421 1260625296 /nfs/dbraw/zinc/62/52/96/1260625296.db2.gz XRSAMGUHPCIEJK-MJGOQNOKSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211421 1260625301 /nfs/dbraw/zinc/62/53/01/1260625301.db2.gz XRSAMGUHPCIEJK-MJGOQNOKSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(CCC[N@@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211421 1260625310 /nfs/dbraw/zinc/62/53/10/1260625310.db2.gz XRSAMGUHPCIEJK-MJGOQNOKSA-N 2 2 361.490 0.945 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001273216532 1260626341 /nfs/dbraw/zinc/62/63/41/1260626341.db2.gz GXZSZFBMGANEGW-QRQLOZEOSA-N 2 2 361.490 0.765 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)C1 ZINC001273216532 1260626351 /nfs/dbraw/zinc/62/63/51/1260626351.db2.gz GXZSZFBMGANEGW-QRQLOZEOSA-N 2 2 361.490 0.765 20 0 FCADLP Cc1[nH]c(C[N@@H+]2CCC[C@@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732448 1260665500 /nfs/dbraw/zinc/66/55/00/1260665500.db2.gz CQVUCVMFNWLTRL-SCLBCKFNSA-N 2 2 359.430 0.338 20 0 FCADLP Cc1[nH]c(C[N@H+]2CCC[C@@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)c[nH+]1 ZINC001277732448 1260665509 /nfs/dbraw/zinc/66/55/09/1260665509.db2.gz CQVUCVMFNWLTRL-SCLBCKFNSA-N 2 2 359.430 0.338 20 0 FCADLP CCCCOC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777779 1260668389 /nfs/dbraw/zinc/66/83/89/1260668389.db2.gz HMCPWAUMVRKDOX-MJGOQNOKSA-N 2 2 364.490 0.985 20 0 FCADLP CCCCOC[C@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277777779 1260668399 /nfs/dbraw/zinc/66/83/99/1260668399.db2.gz HMCPWAUMVRKDOX-MJGOQNOKSA-N 2 2 364.490 0.985 20 0 FCADLP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cn[nH]c4)CC3)[C@@H]2C1 ZINC001278488397 1260700190 /nfs/dbraw/zinc/70/01/90/1260700190.db2.gz UAQNBDXOAJJCIL-HZPDHXFCSA-N 2 2 363.462 0.043 20 0 FCADLP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cn[nH]c4)CC3)[C@@H]2C1 ZINC001278488397 1260700195 /nfs/dbraw/zinc/70/01/95/1260700195.db2.gz UAQNBDXOAJJCIL-HZPDHXFCSA-N 2 2 363.462 0.043 20 0 FCADLP C[NH+](C)CCN1CCO[C@]2(CCC[N@H+](Cc3cn4c(n3)COCC4)C2)C1 ZINC001278796844 1260733705 /nfs/dbraw/zinc/73/37/05/1260733705.db2.gz AMFQQVXASAMZHI-LJQANCHMSA-N 2 2 363.506 0.642 20 0 FCADLP C[NH+](C)CCN1CCO[C@]2(CCC[N@@H+](Cc3cn4c(n3)COCC4)C2)C1 ZINC001278796844 1260733707 /nfs/dbraw/zinc/73/37/07/1260733707.db2.gz AMFQQVXASAMZHI-LJQANCHMSA-N 2 2 363.506 0.642 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501928 1260881457 /nfs/dbraw/zinc/88/14/57/1260881457.db2.gz LGWARDMRRDLSGK-IMJJTQAJSA-N 2 2 361.446 0.049 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501928 1260881459 /nfs/dbraw/zinc/88/14/59/1260881459.db2.gz LGWARDMRRDLSGK-IMJJTQAJSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501928 1260881462 /nfs/dbraw/zinc/88/14/62/1260881462.db2.gz LGWARDMRRDLSGK-IMJJTQAJSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccc(=O)[nH]n2)C1 ZINC001279501928 1260881464 /nfs/dbraw/zinc/88/14/64/1260881464.db2.gz LGWARDMRRDLSGK-IMJJTQAJSA-N 2 2 361.446 0.049 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cc(F)ccn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279627088 1260903891 /nfs/dbraw/zinc/90/38/91/1260903891.db2.gz IKDYWKIPNHXRBA-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cc(F)ccn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001279627088 1260903897 /nfs/dbraw/zinc/90/38/97/1260903897.db2.gz IKDYWKIPNHXRBA-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP Cn1nncc1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280062307 1260987377 /nfs/dbraw/zinc/98/73/77/1260987377.db2.gz UJTQKXXDLSBCSN-KRWDZBQOSA-N 2 2 358.490 0.724 20 0 FCADLP Cn1nncc1C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)C1 ZINC001280062307 1260987381 /nfs/dbraw/zinc/98/73/81/1260987381.db2.gz UJTQKXXDLSBCSN-KRWDZBQOSA-N 2 2 358.490 0.724 20 0 FCADLP Cc1c[nH+]c(N2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)nc1N1CCCC1 ZINC001280113033 1261006515 /nfs/dbraw/zinc/00/65/15/1261006515.db2.gz CKDQOPDKXLTCQM-CALCHBBNSA-N 2 2 360.506 0.836 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[N@@H+](C2CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280176532 1261021994 /nfs/dbraw/zinc/02/19/94/1261021994.db2.gz VWCVEDRHIIFMEN-FXAWDEMLSA-N 2 2 360.502 0.816 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1CC[N@H+](C2CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001280176532 1261021997 /nfs/dbraw/zinc/02/19/97/1261021997.db2.gz VWCVEDRHIIFMEN-FXAWDEMLSA-N 2 2 360.502 0.816 20 0 FCADLP C[NH+](C)CCN1CCn2c(nnc2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001280220419 1261038948 /nfs/dbraw/zinc/03/89/48/1261038948.db2.gz BTXUQVBAXRJASR-UHFFFAOYSA-N 2 2 354.418 0.555 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1OC)[NH+](C)C ZINC001281849500 1261232396 /nfs/dbraw/zinc/23/23/96/1261232396.db2.gz APGJXFSFGHFMLJ-BZUAXINKSA-N 2 2 365.478 0.035 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001282073698 1261336188 /nfs/dbraw/zinc/33/61/88/1261336188.db2.gz YKXATEMNJRLFJK-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282073698 1261336193 /nfs/dbraw/zinc/33/61/93/1261336193.db2.gz YKXATEMNJRLFJK-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001282073698 1261336197 /nfs/dbraw/zinc/33/61/97/1261336197.db2.gz YKXATEMNJRLFJK-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282073698 1261336204 /nfs/dbraw/zinc/33/62/04/1261336204.db2.gz YKXATEMNJRLFJK-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001282091430 1261337050 /nfs/dbraw/zinc/33/70/50/1261337050.db2.gz GYHAJDSPEODHAC-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001282091430 1261337055 /nfs/dbraw/zinc/33/70/55/1261337055.db2.gz GYHAJDSPEODHAC-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cn(CC(N)=O)nn3)cc2)C[C@H](C)O1 ZINC001473929416 1261504903 /nfs/dbraw/zinc/50/49/03/1261504903.db2.gz HGSFCXKJQFVACG-GJZGRUSLSA-N 2 2 372.473 0.662 20 0 FCADLP CC[N@@H+]1CCC[C@H]1Cn1nnnc1N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC001332510952 1266419732 /nfs/dbraw/zinc/41/97/32/1266419732.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 3 2 364.542 0.620 20 0 FCADLP CC[N@H+]1CCC[C@H]1Cn1nnnc1N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC001332510952 1266419735 /nfs/dbraw/zinc/41/97/35/1266419735.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 3 2 364.542 0.620 20 0 FCADLP CC[NH+]1CCC[C@H]1Cn1nnnc1N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001332510952 1266419740 /nfs/dbraw/zinc/41/97/40/1266419740.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 3 2 364.542 0.620 20 0 FCADLP CC[NH+]1CCC[C@H]1Cn1nnnc1N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001332510952 1266419745 /nfs/dbraw/zinc/41/97/45/1266419745.db2.gz MSLZWQSAUOBMEQ-KRWDZBQOSA-N 3 2 364.542 0.620 20 0 FCADLP CN(C(=O)C(=O)NCc1cccc(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001345288691 1261666347 /nfs/dbraw/zinc/66/63/47/1261666347.db2.gz FUMROKVIYLUSNS-KRWDZBQOSA-N 2 2 374.485 0.635 20 0 FCADLP CN(C(=O)C(=O)NCc1cccc(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001345288691 1261666356 /nfs/dbraw/zinc/66/63/56/1261666356.db2.gz FUMROKVIYLUSNS-KRWDZBQOSA-N 2 2 374.485 0.635 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@@H+]1C ZINC001283953692 1261723073 /nfs/dbraw/zinc/72/30/73/1261723073.db2.gz KDVIKMYNZWZQEE-BMFZPTHFSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)CCc2[nH+]ccn2C)C2CC2)CC[N@H+]1C ZINC001283953692 1261723080 /nfs/dbraw/zinc/72/30/80/1261723080.db2.gz KDVIKMYNZWZQEE-BMFZPTHFSA-N 2 2 361.490 0.704 20 0 FCADLP Cc1cnccc1CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345538698 1261733570 /nfs/dbraw/zinc/73/35/70/1261733570.db2.gz DMWAVYQVMPSVKZ-UHFFFAOYSA-N 2 2 373.501 0.681 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321152 1278122453 /nfs/dbraw/zinc/12/24/53/1278122453.db2.gz XJBQODDRYBSGQR-DFBGVHRSSA-N 2 2 356.434 0.037 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001580321152 1278122459 /nfs/dbraw/zinc/12/24/59/1278122459.db2.gz XJBQODDRYBSGQR-DFBGVHRSSA-N 2 2 356.434 0.037 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580345256 1278141200 /nfs/dbraw/zinc/14/12/00/1278141200.db2.gz JLOJVBXWGOGQOO-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580345256 1278141204 /nfs/dbraw/zinc/14/12/04/1278141204.db2.gz JLOJVBXWGOGQOO-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@H](CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C[NH+]1CCN(C)CC1 ZINC001292958248 1262707117 /nfs/dbraw/zinc/70/71/17/1262707117.db2.gz IGSFOWRZIDYQGP-CQSZACIVSA-N 2 2 373.505 0.648 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001294800477 1262744656 /nfs/dbraw/zinc/74/46/56/1262744656.db2.gz LGZROOVKMGWDNF-RRFJBIMHSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001295660132 1262776188 /nfs/dbraw/zinc/77/61/88/1262776188.db2.gz RVOMIUBOFHFEAN-RRFJBIMHSA-N 2 2 359.474 0.773 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001580354683 1278157978 /nfs/dbraw/zinc/15/79/78/1278157978.db2.gz LLQLEXFTJSIZIQ-TZMCWYRMSA-N 2 2 367.417 0.489 20 0 FCADLP [NH3+]Cc1nc2ccccc2n1CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001580355296 1278158887 /nfs/dbraw/zinc/15/88/87/1278158887.db2.gz BNOQZUZMBYSTFZ-OAHLLOKOSA-N 2 2 357.458 0.818 20 0 FCADLP NS(=O)(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC001580362712 1278167666 /nfs/dbraw/zinc/16/76/66/1278167666.db2.gz LQMMFSFTUYAIEQ-ZDUSSCGKSA-N 2 2 358.895 0.467 20 0 FCADLP NS(=O)(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC001580362712 1278167669 /nfs/dbraw/zinc/16/76/69/1278167669.db2.gz LQMMFSFTUYAIEQ-ZDUSSCGKSA-N 2 2 358.895 0.467 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001299245674 1262961258 /nfs/dbraw/zinc/96/12/58/1262961258.db2.gz NRICIBFLZGNQEJ-HUUCEWRRSA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001299245674 1262961264 /nfs/dbraw/zinc/96/12/64/1262961264.db2.gz NRICIBFLZGNQEJ-HUUCEWRRSA-N 2 2 359.474 0.773 20 0 FCADLP CON1CCC(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC001477686945 1263099518 /nfs/dbraw/zinc/09/95/18/1263099518.db2.gz DFXAZVQVKQWNEA-UHFFFAOYSA-N 2 2 353.511 0.870 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2C1=O ZINC001307990871 1263208057 /nfs/dbraw/zinc/20/80/57/1263208057.db2.gz WOOSKLRRWJVJLQ-OLZOCXBDSA-N 2 2 356.426 0.734 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2C1=O ZINC001307990871 1263208069 /nfs/dbraw/zinc/20/80/69/1263208069.db2.gz WOOSKLRRWJVJLQ-OLZOCXBDSA-N 2 2 356.426 0.734 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cc2C1=O ZINC001307990871 1263208076 /nfs/dbraw/zinc/20/80/76/1263208076.db2.gz WOOSKLRRWJVJLQ-OLZOCXBDSA-N 2 2 356.426 0.734 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2C1=O ZINC001307990871 1263208083 /nfs/dbraw/zinc/20/80/83/1263208083.db2.gz WOOSKLRRWJVJLQ-OLZOCXBDSA-N 2 2 356.426 0.734 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)NCC1CCC1 ZINC001479671494 1263331488 /nfs/dbraw/zinc/33/14/88/1263331488.db2.gz NLVROXUNLMWKHL-CVEARBPZSA-N 2 2 359.474 0.649 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1)NCC1CCC1 ZINC001479671494 1263331502 /nfs/dbraw/zinc/33/15/02/1263331502.db2.gz NLVROXUNLMWKHL-CVEARBPZSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316643723 1263391944 /nfs/dbraw/zinc/39/19/44/1263391944.db2.gz YQZCSYCMLRRKSW-HYVNUMGLSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316643723 1263391956 /nfs/dbraw/zinc/39/19/56/1263391956.db2.gz YQZCSYCMLRRKSW-HYVNUMGLSA-N 2 2 358.486 0.929 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001316753416 1263456535 /nfs/dbraw/zinc/45/65/35/1263456535.db2.gz FJPFOAMGJQGXQU-PMPSAXMXSA-N 2 2 358.442 0.736 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]2C1 ZINC001316753416 1263456537 /nfs/dbraw/zinc/45/65/37/1263456537.db2.gz FJPFOAMGJQGXQU-PMPSAXMXSA-N 2 2 358.442 0.736 20 0 FCADLP Cn1cc(N2CC[C@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)C2)cn1 ZINC001319394008 1263689143 /nfs/dbraw/zinc/68/91/43/1263689143.db2.gz JUGDZJZVOYIHOT-SFHVURJKSA-N 2 2 362.522 0.385 20 0 FCADLP CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496975383 1263906472 /nfs/dbraw/zinc/90/64/72/1263906472.db2.gz WNISXYOQSFEQRC-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496975383 1263906485 /nfs/dbraw/zinc/90/64/85/1263906485.db2.gz WNISXYOQSFEQRC-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP COc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001497057935 1263914586 /nfs/dbraw/zinc/91/45/86/1263914586.db2.gz MNUNKDCAWXEZEE-NUEKZKHPSA-N 2 2 359.430 0.194 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC001321305341 1263934012 /nfs/dbraw/zinc/93/40/12/1263934012.db2.gz WFTZUDSSGHOKGC-BBWFWOEESA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC001321343605 1263939377 /nfs/dbraw/zinc/93/93/77/1263939377.db2.gz FRXLMMQSNPHYNQ-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3c4ccccc4oc3=O)C2)CC1 ZINC001321762039 1264054032 /nfs/dbraw/zinc/05/40/32/1264054032.db2.gz SWQQJJLCBPIJLS-CQSZACIVSA-N 2 2 358.442 0.879 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3c4ccccc4oc3=O)C2)CC1 ZINC001321762039 1264054040 /nfs/dbraw/zinc/05/40/40/1264054040.db2.gz SWQQJJLCBPIJLS-CQSZACIVSA-N 2 2 358.442 0.879 20 0 FCADLP COc1ccc(CC[NH+]2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001500837100 1264089733 /nfs/dbraw/zinc/08/97/33/1264089733.db2.gz IAAJEJWZLWRIEZ-CRAIPNDOSA-N 2 2 361.486 0.741 20 0 FCADLP COc1ccc(CC[NH+]2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001500837100 1264089738 /nfs/dbraw/zinc/08/97/38/1264089738.db2.gz IAAJEJWZLWRIEZ-CRAIPNDOSA-N 2 2 361.486 0.741 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001321946251 1264107447 /nfs/dbraw/zinc/10/74/47/1264107447.db2.gz WLSGBZUBSUHBOW-CQSZACIVSA-N 2 2 360.462 0.997 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001580400476 1278224804 /nfs/dbraw/zinc/22/48/04/1278224804.db2.gz AWXGWMVZDUIYMN-SNVBAGLBSA-N 2 2 358.381 0.566 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001323502670 1264442463 /nfs/dbraw/zinc/44/24/63/1264442463.db2.gz WSWVYQGUEAYZSC-AEFFLSMTSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001323502670 1264442467 /nfs/dbraw/zinc/44/24/67/1264442467.db2.gz WSWVYQGUEAYZSC-AEFFLSMTSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001323502670 1264442472 /nfs/dbraw/zinc/44/24/72/1264442472.db2.gz WSWVYQGUEAYZSC-AEFFLSMTSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001323502670 1264442478 /nfs/dbraw/zinc/44/24/78/1264442478.db2.gz WSWVYQGUEAYZSC-AEFFLSMTSA-N 2 2 356.470 0.986 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325338300 1264849466 /nfs/dbraw/zinc/84/94/66/1264849466.db2.gz JLGCCARIACGSCG-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325338300 1264849480 /nfs/dbraw/zinc/84/94/80/1264849480.db2.gz JLGCCARIACGSCG-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP COC[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001325480322 1264902164 /nfs/dbraw/zinc/90/21/64/1264902164.db2.gz KFXHXQDPDNEVOW-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP COC[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001325480322 1264902169 /nfs/dbraw/zinc/90/21/69/1264902169.db2.gz KFXHXQDPDNEVOW-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH3+])[NH+]1CCOCC1 ZINC001325711660 1264975752 /nfs/dbraw/zinc/97/57/52/1264975752.db2.gz DDXUUFYXHNQFIZ-KRWDZBQOSA-N 2 2 362.474 0.235 20 0 FCADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC001326346288 1265096173 /nfs/dbraw/zinc/09/61/73/1265096173.db2.gz CZCFCMGHAAXXES-KRWDZBQOSA-N 2 2 360.506 0.138 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1OC ZINC001513403571 1265104286 /nfs/dbraw/zinc/10/42/86/1265104286.db2.gz DNNQXTKBAQQKGN-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1OC ZINC001513403571 1265104288 /nfs/dbraw/zinc/10/42/88/1265104288.db2.gz DNNQXTKBAQQKGN-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)[NH+](C)C ZINC001513405198 1265105759 /nfs/dbraw/zinc/10/57/59/1265105759.db2.gz CDFCPXZJGJFMCZ-OWCLPIDISA-N 2 2 365.478 0.035 20 0 FCADLP CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326641672 1265148066 /nfs/dbraw/zinc/14/80/66/1265148066.db2.gz YOELXBYYJOSSLN-OAHLLOKOSA-N 2 2 366.506 0.299 20 0 FCADLP CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001326641672 1265148070 /nfs/dbraw/zinc/14/80/70/1265148070.db2.gz YOELXBYYJOSSLN-OAHLLOKOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001327324021 1265285670 /nfs/dbraw/zinc/28/56/70/1265285670.db2.gz LWKYMAROOCNKEG-OWSLCNJRSA-N 2 2 367.538 0.550 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C4CC4)CCC3)C2)CC1 ZINC001327328843 1265286797 /nfs/dbraw/zinc/28/67/97/1265286797.db2.gz OXJOUQZVKGSPAP-MRXNPFEDSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C4CC4)CCC3)C2)CC1 ZINC001327328843 1265286804 /nfs/dbraw/zinc/28/68/04/1265286804.db2.gz OXJOUQZVKGSPAP-MRXNPFEDSA-N 2 2 362.518 0.968 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnnn3C[C@H]3CCOC3)CC2)CC1 ZINC001332546414 1266427680 /nfs/dbraw/zinc/42/76/80/1266427680.db2.gz SJQMGXKRYFQSOX-MRXNPFEDSA-N 2 2 363.510 0.706 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnnn3C[C@H]3CCOC3)CC2)CC1 ZINC001332546414 1266427688 /nfs/dbraw/zinc/42/76/88/1266427688.db2.gz SJQMGXKRYFQSOX-MRXNPFEDSA-N 2 2 363.510 0.706 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CCC(C)(O)CC3)C2)CC1 ZINC001332743978 1266471391 /nfs/dbraw/zinc/47/13/91/1266471391.db2.gz IQLIUXJUVPYPFW-HVEKOLDVSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CCC(C)(O)CC3)C2)CC1 ZINC001332743978 1266471393 /nfs/dbraw/zinc/47/13/93/1266471393.db2.gz IQLIUXJUVPYPFW-HVEKOLDVSA-N 2 2 366.506 0.081 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)CC1 ZINC001522639085 1266566789 /nfs/dbraw/zinc/56/67/89/1266566789.db2.gz JGPGWDLXRKNSEU-KRWDZBQOSA-N 2 2 359.474 0.682 20 0 FCADLP C[C@]([NH3+])(C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC001333260675 1266567223 /nfs/dbraw/zinc/56/72/23/1266567223.db2.gz MCSTVYRPPPMMOR-AZUAARDMSA-N 2 2 360.502 0.773 20 0 FCADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC001333608873 1266646207 /nfs/dbraw/zinc/64/62/07/1266646207.db2.gz SOQONSYQTZQRSA-MRXNPFEDSA-N 2 2 362.474 0.326 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(c2nnnn2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001334017305 1266780078 /nfs/dbraw/zinc/78/00/78/1266780078.db2.gz PQFNXQSZPFWHNC-HNNXBMFYSA-N 2 2 351.499 0.751 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399367 1266894745 /nfs/dbraw/zinc/89/47/45/1266894745.db2.gz HQPDJCJOPITPCE-QFBILLFUSA-N 2 2 358.486 0.523 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399367 1266894758 /nfs/dbraw/zinc/89/47/58/1266894758.db2.gz HQPDJCJOPITPCE-QFBILLFUSA-N 2 2 358.486 0.523 20 0 FCADLP CC[C@@H](C(=O)N(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1)[NH+](C)C ZINC001529873205 1267082671 /nfs/dbraw/zinc/08/26/71/1267082671.db2.gz KNENAMYAWVKZGI-OAGGEKHMSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC[C@H]21 ZINC001548393323 1267695500 /nfs/dbraw/zinc/69/55/00/1267695500.db2.gz WDVHWTUYSLOLHW-DLBZAZTESA-N 2 2 373.505 0.605 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC[C@H]21 ZINC001548393323 1267695502 /nfs/dbraw/zinc/69/55/02/1267695502.db2.gz WDVHWTUYSLOLHW-DLBZAZTESA-N 2 2 373.505 0.605 20 0 FCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC001548897264 1267766627 /nfs/dbraw/zinc/76/66/27/1267766627.db2.gz MPYVIPCWWZVMJS-HACGYAERSA-N 2 2 362.478 0.864 20 0 FCADLP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC001548897939 1267767031 /nfs/dbraw/zinc/76/70/31/1267767031.db2.gz RHPDLLAMQBCHEQ-YOEHRIQHSA-N 2 2 362.478 0.818 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549153494 1267830068 /nfs/dbraw/zinc/83/00/68/1267830068.db2.gz QWVIPBQPRAZIFI-JKIFEVAISA-N 2 2 362.478 0.866 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549153494 1267830083 /nfs/dbraw/zinc/83/00/83/1267830083.db2.gz QWVIPBQPRAZIFI-JKIFEVAISA-N 2 2 362.478 0.866 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549154323 1267833046 /nfs/dbraw/zinc/83/30/46/1267833046.db2.gz VJTROGLQDFPUCS-ZQIUZPCESA-N 2 2 362.478 0.723 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549154323 1267833055 /nfs/dbraw/zinc/83/30/55/1267833055.db2.gz VJTROGLQDFPUCS-ZQIUZPCESA-N 2 2 362.478 0.723 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001549176820 1267854145 /nfs/dbraw/zinc/85/41/45/1267854145.db2.gz XPRUFZPCMJSUNB-GRDNDAEWSA-N 2 2 356.430 0.739 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001549241126 1267873815 /nfs/dbraw/zinc/87/38/15/1267873815.db2.gz VZYNOBBWLKLZIO-DVOMOZLQSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC001549241126 1267873830 /nfs/dbraw/zinc/87/38/30/1267873830.db2.gz VZYNOBBWLKLZIO-DVOMOZLQSA-N 2 2 362.478 0.912 20 0 FCADLP C[NH+](C)[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C[C@H]1n1ccnn1 ZINC001549951223 1268028339 /nfs/dbraw/zinc/02/83/39/1268028339.db2.gz KSBIRIACJIBZDY-UPJWGTAASA-N 2 2 371.367 0.982 20 0 FCADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550116790 1268079627 /nfs/dbraw/zinc/07/96/27/1268079627.db2.gz RVCDWJQJVUJLEP-DLBZAZTESA-N 2 2 360.506 0.578 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCOC[C@H]3[NH3+])C2)c1 ZINC001550283704 1268104127 /nfs/dbraw/zinc/10/41/27/1268104127.db2.gz ZNJLRMHIHHRGBD-KZNAEPCWSA-N 2 2 362.474 0.611 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCOC[C@H]3[NH3+])C2)c1 ZINC001550283704 1268104130 /nfs/dbraw/zinc/10/41/30/1268104130.db2.gz ZNJLRMHIHHRGBD-KZNAEPCWSA-N 2 2 362.474 0.611 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[NH+]3Cc3ccccc3)C[C@@H]2C1 ZINC001550366440 1268108003 /nfs/dbraw/zinc/10/80/03/1268108003.db2.gz LMRUFAQTJWVFQA-XWSJACJDSA-N 2 2 370.497 0.915 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[NH+]3Cc3ccccc3)C[C@@H]2C1 ZINC001550366440 1268108006 /nfs/dbraw/zinc/10/80/06/1268108006.db2.gz LMRUFAQTJWVFQA-XWSJACJDSA-N 2 2 370.497 0.915 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[N@@H+]3Cc3ccccc3)C[C@@H]2C1 ZINC001550366440 1268108011 /nfs/dbraw/zinc/10/80/11/1268108011.db2.gz LMRUFAQTJWVFQA-XWSJACJDSA-N 2 2 370.497 0.915 20 0 FCADLP C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C(N)=O)[N@H+]3Cc3ccccc3)C[C@@H]2C1 ZINC001550366440 1268108013 /nfs/dbraw/zinc/10/80/13/1268108013.db2.gz LMRUFAQTJWVFQA-XWSJACJDSA-N 2 2 370.497 0.915 20 0 FCADLP CC1([NH+]2CCC2)CCN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC001550614870 1268140145 /nfs/dbraw/zinc/14/01/45/1268140145.db2.gz NGYKTCUQKBAPDC-DLBZAZTESA-N 2 2 351.491 0.953 20 0 FCADLP C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C[C@@]2(C)C1 ZINC001550610019 1268140795 /nfs/dbraw/zinc/14/07/95/1268140795.db2.gz IDWNDSOEDFBNOL-PBWTXFEYSA-N 2 2 351.491 0.666 20 0 FCADLP C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)C[C@@]2(C)C1 ZINC001550610019 1268140803 /nfs/dbraw/zinc/14/08/03/1268140803.db2.gz IDWNDSOEDFBNOL-PBWTXFEYSA-N 2 2 351.491 0.666 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001550653668 1268145635 /nfs/dbraw/zinc/14/56/35/1268145635.db2.gz CECHJIIDRCWJII-ZHCAMHROSA-N 2 2 360.462 0.333 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001550653668 1268145639 /nfs/dbraw/zinc/14/56/39/1268145639.db2.gz CECHJIIDRCWJII-ZHCAMHROSA-N 2 2 360.462 0.333 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)C2)cc1 ZINC001550728006 1268157675 /nfs/dbraw/zinc/15/76/75/1268157675.db2.gz XIMJQYKFKNIMFB-YDZRNGNQSA-N 2 2 359.470 0.831 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)C2)cc1 ZINC001550728006 1268157678 /nfs/dbraw/zinc/15/76/78/1268157678.db2.gz XIMJQYKFKNIMFB-YDZRNGNQSA-N 2 2 359.470 0.831 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001550746607 1268161301 /nfs/dbraw/zinc/16/13/01/1268161301.db2.gz WKCILEARSLROJQ-QDEZUTFSSA-N 2 2 360.462 0.381 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3COC[C@]3(c3nnc(C)o3)C2)CC1 ZINC001551007406 1268192284 /nfs/dbraw/zinc/19/22/84/1268192284.db2.gz IZFSFVHGMCLZEF-DHSIGJKJSA-N 2 2 363.462 0.130 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3COC[C@]3(c3nnc(C)o3)C2)CC1 ZINC001551007406 1268192288 /nfs/dbraw/zinc/19/22/88/1268192288.db2.gz IZFSFVHGMCLZEF-DHSIGJKJSA-N 2 2 363.462 0.130 20 0 FCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001551585169 1268278854 /nfs/dbraw/zinc/27/88/54/1268278854.db2.gz ZQIYSFYAZJCPDO-VNHYZAJKSA-N 2 2 373.448 0.177 20 0 FCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC001552008551 1268350645 /nfs/dbraw/zinc/35/06/45/1268350645.db2.gz BDFQRFXRHKLNHT-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@H]4COC[C@H]43)C2)CC1 ZINC001552178547 1268402678 /nfs/dbraw/zinc/40/26/78/1268402678.db2.gz PTSMZYXDGXIOGA-UAGQMJEPSA-N 2 2 366.506 0.743 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@H]4COC[C@H]43)C2)CC1 ZINC001552178547 1268402680 /nfs/dbraw/zinc/40/26/80/1268402680.db2.gz PTSMZYXDGXIOGA-UAGQMJEPSA-N 2 2 366.506 0.743 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)([NH+]2CCCCC2)CC1 ZINC001552202971 1268409766 /nfs/dbraw/zinc/40/97/66/1268409766.db2.gz UBJQLIUNZRNEPS-VQIMIIECSA-N 3 2 350.507 0.289 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@H]1C ZINC001340052772 1268418429 /nfs/dbraw/zinc/41/84/29/1268418429.db2.gz BZUPWPDYUPBUBV-WWGRRREGSA-N 2 2 374.493 0.877 20 0 FCADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)C[C@H]1C ZINC001340052772 1268418433 /nfs/dbraw/zinc/41/84/33/1268418433.db2.gz BZUPWPDYUPBUBV-WWGRRREGSA-N 2 2 374.493 0.877 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC001552276557 1268430935 /nfs/dbraw/zinc/43/09/35/1268430935.db2.gz ZPJDCCGGCHAPAK-PMACEKPBSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC001552276557 1268430939 /nfs/dbraw/zinc/43/09/39/1268430939.db2.gz ZPJDCCGGCHAPAK-PMACEKPBSA-N 2 2 359.470 0.950 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001580499911 1278409672 /nfs/dbraw/zinc/40/96/72/1278409672.db2.gz VXWHEKQQSYLWCS-HNNXBMFYSA-N 2 2 366.429 0.831 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001580499911 1278409685 /nfs/dbraw/zinc/40/96/85/1278409685.db2.gz VXWHEKQQSYLWCS-HNNXBMFYSA-N 2 2 366.429 0.831 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001340140446 1268447615 /nfs/dbraw/zinc/44/76/15/1268447615.db2.gz UMIXCEMNYYXBAX-SFHVURJKSA-N 2 2 362.474 0.947 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001340150020 1268451193 /nfs/dbraw/zinc/45/11/93/1268451193.db2.gz FPBONSCQKFDYET-MRXNPFEDSA-N 2 2 352.504 0.882 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC001552372593 1268455690 /nfs/dbraw/zinc/45/56/90/1268455690.db2.gz YAKBZOWVQUESOU-PBHICJAKSA-N 2 2 372.429 0.899 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC001552437090 1268463569 /nfs/dbraw/zinc/46/35/69/1268463569.db2.gz MRWDXKVJWBIWTI-OAGGEKHMSA-N 2 2 364.494 0.774 20 0 FCADLP CC(C)(CNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC001552690297 1268522312 /nfs/dbraw/zinc/52/23/12/1268522312.db2.gz DHGXATCLBWBKFN-HIFRSBDPSA-N 2 2 350.467 0.561 20 0 FCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)CC2)cn1 ZINC001552697181 1268524226 /nfs/dbraw/zinc/52/42/26/1268524226.db2.gz BFLPBVKEKBOGPX-UHFFFAOYSA-N 2 2 371.489 0.958 20 0 FCADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)CC2)cn1 ZINC001552697181 1268524236 /nfs/dbraw/zinc/52/42/36/1268524236.db2.gz BFLPBVKEKBOGPX-UHFFFAOYSA-N 2 2 371.489 0.958 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001552793662 1268547534 /nfs/dbraw/zinc/54/75/34/1268547534.db2.gz DMGAZSVVBKHGRF-GOSISDBHSA-N 2 2 366.554 0.044 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)c1C ZINC001552799392 1268549885 /nfs/dbraw/zinc/54/98/85/1268549885.db2.gz OBDRVJMUMVQAGJ-CVEARBPZSA-N 2 2 373.461 0.995 20 0 FCADLP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995807 1268575636 /nfs/dbraw/zinc/57/56/36/1268575636.db2.gz LBELDLHZQRSCIE-OREBXVKISA-N 2 2 368.522 0.486 20 0 FCADLP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995807 1268575643 /nfs/dbraw/zinc/57/56/43/1268575643.db2.gz LBELDLHZQRSCIE-OREBXVKISA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995807 1268575646 /nfs/dbraw/zinc/57/56/46/1268575646.db2.gz LBELDLHZQRSCIE-OREBXVKISA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995807 1268575653 /nfs/dbraw/zinc/57/56/53/1268575653.db2.gz LBELDLHZQRSCIE-OREBXVKISA-N 2 2 368.522 0.486 20 0 FCADLP O=C([C@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001553056960 1268586982 /nfs/dbraw/zinc/58/69/82/1268586982.db2.gz JTUGZZWYGLZXSF-QZTJIDSGSA-N 2 2 360.458 0.610 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001553106198 1268590628 /nfs/dbraw/zinc/59/06/28/1268590628.db2.gz IVKCCKRLGKFHGW-SQNIBIBYSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001553113263 1268591887 /nfs/dbraw/zinc/59/18/87/1268591887.db2.gz SHYCKEXDLKZOBD-SQNIBIBYSA-N 2 2 351.491 0.811 20 0 FCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553117447 1268593657 /nfs/dbraw/zinc/59/36/57/1268593657.db2.gz VAZVNXSBSJZBBZ-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553117447 1268593665 /nfs/dbraw/zinc/59/36/65/1268593665.db2.gz VAZVNXSBSJZBBZ-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)C2 ZINC001340667423 1268619976 /nfs/dbraw/zinc/61/99/76/1268619976.db2.gz SFLXFQNXYYMYPB-JKSUJKDBSA-N 2 2 372.473 0.592 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1 ZINC001553428094 1268648665 /nfs/dbraw/zinc/64/86/65/1268648665.db2.gz UTLBKXMBPVTMIH-YJBOKZPZSA-N 2 2 354.495 0.494 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1 ZINC001553428088 1268648697 /nfs/dbraw/zinc/64/86/97/1268648697.db2.gz UTLBKXMBPVTMIH-CRAIPNDOSA-N 2 2 354.495 0.494 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC001553745316 1268695710 /nfs/dbraw/zinc/69/57/10/1268695710.db2.gz KXQDXDSFQHEGEI-ZUZCIYMTSA-N 2 2 353.390 0.410 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)N(C)C2 ZINC001554034072 1268745315 /nfs/dbraw/zinc/74/53/15/1268745315.db2.gz XTCKDFSLELSFBB-OAHLLOKOSA-N 2 2 352.402 0.928 20 0 FCADLP [NH3+][C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C12CCC2 ZINC001341554947 1269077714 /nfs/dbraw/zinc/07/77/14/1269077714.db2.gz UPNRKRMQNKUVBY-HZPDHXFCSA-N 2 2 371.485 0.897 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001558680136 1269129805 /nfs/dbraw/zinc/12/98/05/1269129805.db2.gz MZHZDCWORNZLEU-RDJZCZTQSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001558680136 1269129808 /nfs/dbraw/zinc/12/98/08/1269129808.db2.gz MZHZDCWORNZLEU-RDJZCZTQSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001558680134 1269129947 /nfs/dbraw/zinc/12/99/47/1269129947.db2.gz MZHZDCWORNZLEU-DOTOQJQBSA-N 2 2 361.490 0.941 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001558680134 1269129950 /nfs/dbraw/zinc/12/99/50/1269129950.db2.gz MZHZDCWORNZLEU-DOTOQJQBSA-N 2 2 361.490 0.941 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O)[NH+](C)C ZINC001341814629 1269224221 /nfs/dbraw/zinc/22/42/21/1269224221.db2.gz QNQOMMHCJSZPBA-OWCLPIDISA-N 2 2 359.430 0.205 20 0 FCADLP O=C(NCCCCCN1CC[NH2+]CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001341821680 1269228834 /nfs/dbraw/zinc/22/88/34/1269228834.db2.gz CONWILUEQZSDQO-SFHVURJKSA-N 2 2 352.523 0.822 20 0 FCADLP O=C(NCCCCCN1CC[NH2+]CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001341821680 1269228845 /nfs/dbraw/zinc/22/88/45/1269228845.db2.gz CONWILUEQZSDQO-SFHVURJKSA-N 2 2 352.523 0.822 20 0 FCADLP C[C@H](O)CC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342134538 1269365245 /nfs/dbraw/zinc/36/52/45/1269365245.db2.gz HXVRKFRUVGWIMU-LSDHHAIUSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@H](O)CC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342134538 1269365258 /nfs/dbraw/zinc/36/52/58/1269365258.db2.gz HXVRKFRUVGWIMU-LSDHHAIUSA-N 2 2 368.522 0.184 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)CC(=O)NC)CC2)CC1 ZINC001564770810 1269434978 /nfs/dbraw/zinc/43/49/78/1269434978.db2.gz MOLBSWKCVTWHGS-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)CC(=O)NC)CC2)CC1 ZINC001564770810 1269434983 /nfs/dbraw/zinc/43/49/83/1269434983.db2.gz MOLBSWKCVTWHGS-HNNXBMFYSA-N 2 2 353.511 0.713 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCC(O)CC1 ZINC001565608350 1269481179 /nfs/dbraw/zinc/48/11/79/1269481179.db2.gz AKBIYCGCFNTWEK-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCC(O)CC1 ZINC001565608350 1269481183 /nfs/dbraw/zinc/48/11/83/1269481183.db2.gz AKBIYCGCFNTWEK-UHFFFAOYSA-N 2 2 368.522 0.234 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)n1 ZINC001566048247 1269580126 /nfs/dbraw/zinc/58/01/26/1269580126.db2.gz GXIQQAOKCAQAPK-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)n1 ZINC001566048247 1269580130 /nfs/dbraw/zinc/58/01/30/1269580130.db2.gz GXIQQAOKCAQAPK-CABCVRRESA-N 2 2 365.478 0.838 20 0 FCADLP Cc1cncc(C[NH+]2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC001566649331 1269653941 /nfs/dbraw/zinc/65/39/41/1269653941.db2.gz PWVWTTWHTPFYCQ-IEBWSBKVSA-N 2 2 359.518 0.964 20 0 FCADLP Cc1cncc(C[NH+]2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC001566649331 1269653947 /nfs/dbraw/zinc/65/39/47/1269653947.db2.gz PWVWTTWHTPFYCQ-IEBWSBKVSA-N 2 2 359.518 0.964 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1OC ZINC001343103543 1269773218 /nfs/dbraw/zinc/77/32/18/1269773218.db2.gz UTWYBIFYCAVQHI-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1OC ZINC001343103543 1269773224 /nfs/dbraw/zinc/77/32/24/1269773224.db2.gz UTWYBIFYCAVQHI-HZPDHXFCSA-N 2 2 365.478 0.037 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCc4nnn(C)c4C3)CC2)CC1 ZINC001570442584 1269883871 /nfs/dbraw/zinc/88/38/71/1269883871.db2.gz ZCCLWEKHSDULOJ-INIZCTEOSA-N 2 2 374.533 0.939 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCc4nnn(C)c4C3)CC2)CC1 ZINC001570442584 1269883878 /nfs/dbraw/zinc/88/38/78/1269883878.db2.gz ZCCLWEKHSDULOJ-INIZCTEOSA-N 2 2 374.533 0.939 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OC ZINC001572962074 1270416749 /nfs/dbraw/zinc/41/67/49/1270416749.db2.gz IUOFMJVKVOPGFE-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OC ZINC001572962074 1270416753 /nfs/dbraw/zinc/41/67/53/1270416753.db2.gz IUOFMJVKVOPGFE-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001573143063 1270615329 /nfs/dbraw/zinc/61/53/29/1270615329.db2.gz KNQINWWWXYILBA-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001573143063 1270615334 /nfs/dbraw/zinc/61/53/34/1270615334.db2.gz KNQINWWWXYILBA-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001573143063 1270615341 /nfs/dbraw/zinc/61/53/41/1270615341.db2.gz KNQINWWWXYILBA-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001573143063 1270615349 /nfs/dbraw/zinc/61/53/49/1270615349.db2.gz KNQINWWWXYILBA-WVCIDPQESA-N 2 2 361.490 0.940 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255928 1271127888 /nfs/dbraw/zinc/12/78/88/1271127888.db2.gz VDFOYLOKGIBFCL-KRWDZBQOSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574255928 1271127892 /nfs/dbraw/zinc/12/78/92/1271127892.db2.gz VDFOYLOKGIBFCL-KRWDZBQOSA-N 2 2 358.450 0.687 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260678 1271131057 /nfs/dbraw/zinc/13/10/57/1271131057.db2.gz RIBNOLYGUKLGQI-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260678 1271131064 /nfs/dbraw/zinc/13/10/64/1271131064.db2.gz RIBNOLYGUKLGQI-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260678 1271131067 /nfs/dbraw/zinc/13/10/67/1271131067.db2.gz RIBNOLYGUKLGQI-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260678 1271131075 /nfs/dbraw/zinc/13/10/75/1271131075.db2.gz RIBNOLYGUKLGQI-INIZCTEOSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262182 1271136940 /nfs/dbraw/zinc/13/69/40/1271136940.db2.gz PMILLSSMCZKDBR-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262182 1271136948 /nfs/dbraw/zinc/13/69/48/1271136948.db2.gz PMILLSSMCZKDBR-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262182 1271136953 /nfs/dbraw/zinc/13/69/53/1271136953.db2.gz PMILLSSMCZKDBR-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574262182 1271136959 /nfs/dbraw/zinc/13/69/59/1271136959.db2.gz PMILLSSMCZKDBR-LBPRGKRZSA-N 2 2 363.491 0.959 20 0 FCADLP O=C(NC[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001580640784 1278612529 /nfs/dbraw/zinc/61/25/29/1278612529.db2.gz QAWMSOXBAIOUNX-INDMIFKZSA-N 2 2 358.486 0.695 20 0 FCADLP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574541997 1271321902 /nfs/dbraw/zinc/32/19/02/1271321902.db2.gz CYOGDXKFRHBBKE-OLZOCXBDSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574655367 1271456620 /nfs/dbraw/zinc/45/66/20/1271456620.db2.gz ZNENLDJQJZXZSY-GFCCVEGCSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@H](CC(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574671159 1271473869 /nfs/dbraw/zinc/47/38/69/1271473869.db2.gz KKYMGQNDUZSQFJ-QWHCGFSZSA-N 2 2 369.433 0.838 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cc[nH+]c1 ZINC001574782032 1271517527 /nfs/dbraw/zinc/51/75/27/1271517527.db2.gz RZRQMRYZFOVVOC-NSHDSACASA-N 2 2 360.447 0.761 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cc[nH+]c1 ZINC001574782032 1271517533 /nfs/dbraw/zinc/51/75/33/1271517533.db2.gz RZRQMRYZFOVVOC-NSHDSACASA-N 2 2 360.447 0.761 20 0 FCADLP CC(=O)N1CC[NH+](CCn2c(N3CC[C@@H]([NH3+])C3)nnc2C(C)(C)C)CC1 ZINC001574993502 1271688516 /nfs/dbraw/zinc/68/85/16/1271688516.db2.gz ZALMTMLGRQHKKU-OAHLLOKOSA-N 2 2 363.510 0.277 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001575319877 1271922101 /nfs/dbraw/zinc/92/21/01/1271922101.db2.gz KAFFDVARZAHMRQ-UHFFFAOYSA-N 2 2 355.527 0.472 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575378234 1272020896 /nfs/dbraw/zinc/02/08/96/1272020896.db2.gz FQHAMZLAZGRRKU-VXGBXAGGSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575390395 1272038691 /nfs/dbraw/zinc/03/86/91/1272038691.db2.gz ZOOJZNXIAJFNAO-WDEREUQCSA-N 2 2 374.474 0.887 20 0 FCADLP CC(C)Cc1nnc(N2CC[C@H](C[NH3+])C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001575661747 1272277610 /nfs/dbraw/zinc/27/76/10/1272277610.db2.gz AQJQXSORLOIPSJ-HZPDHXFCSA-N 2 2 350.511 0.982 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575818667 1272477757 /nfs/dbraw/zinc/47/77/57/1272477757.db2.gz PJTDNDYDIJMQAW-GOSISDBHSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575818667 1272477761 /nfs/dbraw/zinc/47/77/61/1272477761.db2.gz PJTDNDYDIJMQAW-GOSISDBHSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576017854 1272717918 /nfs/dbraw/zinc/71/79/18/1272717918.db2.gz CPZXYWFYDBUUET-ZYHUDNBSSA-N 2 2 372.458 0.973 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021107 1272722719 /nfs/dbraw/zinc/72/27/19/1272722719.db2.gz XAMYPDHPJHXLFP-BLLLJJGKSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576021006 1272723446 /nfs/dbraw/zinc/72/34/46/1272723446.db2.gz HVYVBHQWCJFMLZ-MLGOLLRUSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001576044288 1272769207 /nfs/dbraw/zinc/76/92/07/1272769207.db2.gz HEDGOYQNCKTISS-STQMWFEESA-N 2 2 367.417 0.372 20 0 FCADLP C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576066760 1272819762 /nfs/dbraw/zinc/81/97/62/1272819762.db2.gz XFPLSIBDFIOILX-OAGGEKHMSA-N 2 2 364.494 0.778 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576270514 1273069378 /nfs/dbraw/zinc/06/93/78/1273069378.db2.gz JVOLBZSUXZJERQ-XJKSGUPXSA-N 2 2 366.429 0.700 20 0 FCADLP CC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC001576321988 1273132111 /nfs/dbraw/zinc/13/21/11/1273132111.db2.gz TUJJSJPNDYQFQO-HOCLYGCPSA-N 2 2 350.467 0.244 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491254 1273343991 /nfs/dbraw/zinc/34/39/91/1273343991.db2.gz WECJTCVBMMUXML-ZFWWWQNUSA-N 2 2 372.477 0.887 20 0 FCADLP CC[C@H](C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+](C)C ZINC001576499426 1273361728 /nfs/dbraw/zinc/36/17/28/1273361728.db2.gz KGNNNTIAPNIPOU-CYBMUJFWSA-N 2 2 363.491 0.816 20 0 FCADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576511906 1273387089 /nfs/dbraw/zinc/38/70/89/1273387089.db2.gz GDBAGJXUKQDPOU-UJDVCPFMSA-N 2 2 370.461 0.828 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576521972 1273407725 /nfs/dbraw/zinc/40/77/25/1273407725.db2.gz MPTTVZXHWSKUHP-LSDHHAIUSA-N 2 2 356.446 0.192 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3cnn[nH]3)cc2)C1 ZINC001576555497 1273434854 /nfs/dbraw/zinc/43/48/54/1273434854.db2.gz GVIIMLFJOAEWMG-QGZVFWFLSA-N 2 2 358.446 0.431 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3cnn[nH]3)cc2)C1 ZINC001576555497 1273434858 /nfs/dbraw/zinc/43/48/58/1273434858.db2.gz GVIIMLFJOAEWMG-QGZVFWFLSA-N 2 2 358.446 0.431 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576557666 1273436931 /nfs/dbraw/zinc/43/69/31/1273436931.db2.gz SNQFUGQJFJAHHZ-MRXNPFEDSA-N 2 2 364.494 0.429 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH2+]CCc3cn[nH]n3)CC2)C1 ZINC001576557666 1273436935 /nfs/dbraw/zinc/43/69/35/1273436935.db2.gz SNQFUGQJFJAHHZ-MRXNPFEDSA-N 2 2 364.494 0.429 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576557666 1273436939 /nfs/dbraw/zinc/43/69/39/1273436939.db2.gz SNQFUGQJFJAHHZ-MRXNPFEDSA-N 2 2 364.494 0.429 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(CC)([NH2+]CCc3c[nH]nn3)CC2)C1 ZINC001576557666 1273436943 /nfs/dbraw/zinc/43/69/43/1273436943.db2.gz SNQFUGQJFJAHHZ-MRXNPFEDSA-N 2 2 364.494 0.429 20 0 FCADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576812518 1273726544 /nfs/dbraw/zinc/72/65/44/1273726544.db2.gz LJZQZGWKBXIQAF-LBPRGKRZSA-N 2 2 369.433 0.357 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001580725106 1278812100 /nfs/dbraw/zinc/81/21/00/1278812100.db2.gz PKCLFMRTESLSDF-KRWDZBQOSA-N 2 2 358.490 0.871 20 0 FCADLP C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC001576837850 1273773674 /nfs/dbraw/zinc/77/36/74/1273773674.db2.gz MJMZVOBAWXFLCR-PMPSAXMXSA-N 2 2 364.494 0.301 20 0 FCADLP CC[C@H]([NH3+])Cn1c([C@H]2CCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001577149134 1274200907 /nfs/dbraw/zinc/20/09/07/1274200907.db2.gz RWULTRFGGRACCV-LSDHHAIUSA-N 2 2 352.483 0.635 20 0 FCADLP CCC[C@@H]1CN(C(=O)Nc2cc3n(n2)CC[NH2+]C3)CC[N@@H+]1CCOC ZINC001577377236 1274383965 /nfs/dbraw/zinc/38/39/65/1274383965.db2.gz JTLUXIGZBACKCQ-CQSZACIVSA-N 2 2 350.467 0.951 20 0 FCADLP CCC[C@@H]1CN(C(=O)Nc2cc3n(n2)CC[NH2+]C3)CC[N@H+]1CCOC ZINC001577377236 1274383971 /nfs/dbraw/zinc/38/39/71/1274383971.db2.gz JTLUXIGZBACKCQ-CQSZACIVSA-N 2 2 350.467 0.951 20 0 FCADLP CCCC[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001577476704 1274432934 /nfs/dbraw/zinc/43/29/34/1274432934.db2.gz BCKRQACOJYPUIR-CYBMUJFWSA-N 2 2 369.433 0.667 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc3cn[nH]n3)C1)CC2 ZINC001577571546 1274533989 /nfs/dbraw/zinc/53/39/89/1274533989.db2.gz GORSLMYPQUBMPO-DZKIICNBSA-N 2 2 357.462 0.599 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc3c[nH]nn3)C1)CC2 ZINC001577571546 1274533996 /nfs/dbraw/zinc/53/39/96/1274533996.db2.gz GORSLMYPQUBMPO-DZKIICNBSA-N 2 2 357.462 0.599 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001577805008 1274908598 /nfs/dbraw/zinc/90/85/98/1274908598.db2.gz GPCSFEQHVKJAHY-QGZVFWFLSA-N 2 2 364.494 0.430 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N1CCC[C@@H]1C[NH2+]CCc1c[nH]nn1 ZINC001577805008 1274908605 /nfs/dbraw/zinc/90/86/05/1274908605.db2.gz GPCSFEQHVKJAHY-QGZVFWFLSA-N 2 2 364.494 0.430 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577903361 1275112059 /nfs/dbraw/zinc/11/20/59/1275112059.db2.gz YPKUCZJREXRVPW-CYBMUJFWSA-N 2 2 364.429 0.494 20 0 FCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578037316 1275315813 /nfs/dbraw/zinc/31/58/13/1275315813.db2.gz FZKWGYHEVMJGEX-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001578037316 1275315819 /nfs/dbraw/zinc/31/58/19/1275315819.db2.gz FZKWGYHEVMJGEX-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP CCOCc1nnc(N2CCC([NH3+])CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001578134716 1275433576 /nfs/dbraw/zinc/43/35/76/1275433576.db2.gz BMXKEPPHADATRY-AWEZNQCLSA-N 2 2 352.483 0.463 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001578197438 1275487537 /nfs/dbraw/zinc/48/75/37/1275487537.db2.gz XAISFIOEIJLFCK-CYBMUJFWSA-N 2 2 369.433 0.880 20 0 FCADLP CN(C)c1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@H]([NH3+])C2)c[nH+]1 ZINC001578425838 1275797396 /nfs/dbraw/zinc/79/73/96/1275797396.db2.gz PEPBQKBUIUDNKV-AWEZNQCLSA-N 2 2 365.445 0.782 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001578472246 1275884374 /nfs/dbraw/zinc/88/43/74/1275884374.db2.gz OHUZWFSYMQREOG-MRVWCRGKSA-N 2 2 358.450 0.543 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC[NH2+]2)n1CCc1cn[nH]c1 ZINC001578473807 1275886363 /nfs/dbraw/zinc/88/63/63/1275886363.db2.gz RAKFVVSFWZBUNJ-INIZCTEOSA-N 2 2 374.493 0.437 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532980 1275962993 /nfs/dbraw/zinc/96/29/93/1275962993.db2.gz IFXMJLUNRZMBFA-MQYQWHSLSA-N 2 2 353.467 0.055 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532980 1275963002 /nfs/dbraw/zinc/96/30/02/1275963002.db2.gz IFXMJLUNRZMBFA-MQYQWHSLSA-N 2 2 353.467 0.055 20 0 FCADLP C[NH2+]C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001578654239 1276105636 /nfs/dbraw/zinc/10/56/36/1276105636.db2.gz KYCYJKAWFPXUKE-FMKPAKJESA-N 2 2 352.479 0.748 20 0 FCADLP C[NH2+]C[C@H](O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001578654239 1276105641 /nfs/dbraw/zinc/10/56/41/1276105641.db2.gz KYCYJKAWFPXUKE-FMKPAKJESA-N 2 2 352.479 0.748 20 0 FCADLP CN(C(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578878741 1276406661 /nfs/dbraw/zinc/40/66/61/1276406661.db2.gz YELCYULRJPGUFK-UHFFFAOYSA-N 2 2 355.446 0.605 20 0 FCADLP CN(CC(C)(C)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579018971 1276595893 /nfs/dbraw/zinc/59/58/93/1276595893.db2.gz QUZZJQJXEIGUIP-UHFFFAOYSA-N 2 2 369.433 0.477 20 0 FCADLP CN(C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579089038 1276722764 /nfs/dbraw/zinc/72/27/64/1276722764.db2.gz NMNQHOWRCOYIAT-CYBMUJFWSA-N 2 2 367.417 0.443 20 0 FCADLP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579137055 1276838518 /nfs/dbraw/zinc/83/85/18/1276838518.db2.gz RRHRXLNPZQROPL-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579137055 1276838524 /nfs/dbraw/zinc/83/85/24/1276838524.db2.gz RRHRXLNPZQROPL-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168937 1276921695 /nfs/dbraw/zinc/92/16/95/1276921695.db2.gz KXCWIGSJKHVNHY-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168937 1276921697 /nfs/dbraw/zinc/92/16/97/1276921697.db2.gz KXCWIGSJKHVNHY-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168937 1276921700 /nfs/dbraw/zinc/92/17/00/1276921700.db2.gz KXCWIGSJKHVNHY-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001579168937 1276921707 /nfs/dbraw/zinc/92/17/07/1276921707.db2.gz KXCWIGSJKHVNHY-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169360 1276923196 /nfs/dbraw/zinc/92/31/96/1276923196.db2.gz OWGCPICPLSPHEW-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169360 1276923203 /nfs/dbraw/zinc/92/32/03/1276923203.db2.gz OWGCPICPLSPHEW-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169360 1276923209 /nfs/dbraw/zinc/92/32/09/1276923209.db2.gz OWGCPICPLSPHEW-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579169360 1276923213 /nfs/dbraw/zinc/92/32/13/1276923213.db2.gz OWGCPICPLSPHEW-OAHLLOKOSA-N 2 2 361.425 0.648 20 0 FCADLP CN(CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579172410 1276927881 /nfs/dbraw/zinc/92/78/81/1276927881.db2.gz RQZURSDSIWLKNF-LBPRGKRZSA-N 2 2 367.417 0.273 20 0 FCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180296 1276944473 /nfs/dbraw/zinc/94/44/73/1276944473.db2.gz HVNWCCNYRYOFRS-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180296 1276944476 /nfs/dbraw/zinc/94/44/76/1276944476.db2.gz HVNWCCNYRYOFRS-UHFFFAOYSA-N 2 2 354.418 0.702 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001579183434 1276950821 /nfs/dbraw/zinc/95/08/21/1276950821.db2.gz BCUSXANKNLXBHK-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001579183434 1276950825 /nfs/dbraw/zinc/95/08/25/1276950825.db2.gz BCUSXANKNLXBHK-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001579205027 1276994040 /nfs/dbraw/zinc/99/40/40/1276994040.db2.gz HHWVYHXIWWCLJK-UHFFFAOYSA-N 2 2 358.381 0.520 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579281431 1277098488 /nfs/dbraw/zinc/09/84/88/1277098488.db2.gz DGZMVEJIILMEQD-CYBMUJFWSA-N 2 2 356.434 0.395 20 0 FCADLP COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]([NH3+])C1 ZINC001579318927 1277135125 /nfs/dbraw/zinc/13/51/25/1277135125.db2.gz GAEJWZRGHWEMLN-KBPBESRZSA-N 2 2 371.445 0.609 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001579353462 1277212544 /nfs/dbraw/zinc/21/25/44/1277212544.db2.gz MSAWBGPOOIPZFO-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001579353462 1277212547 /nfs/dbraw/zinc/21/25/47/1277212547.db2.gz MSAWBGPOOIPZFO-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP C[S@@](=O)C1(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001579354634 1277217002 /nfs/dbraw/zinc/21/70/02/1277217002.db2.gz LMUQVBRIXJMVRJ-IZHWHUGBSA-N 2 2 353.463 0.799 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358551 1277227766 /nfs/dbraw/zinc/22/77/66/1277227766.db2.gz GCBCNQDRNDYRIG-QOZQQMKHSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579358551 1277227767 /nfs/dbraw/zinc/22/77/67/1277227767.db2.gz GCBCNQDRNDYRIG-QOZQQMKHSA-N 2 2 356.434 0.085 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359145 1277230746 /nfs/dbraw/zinc/23/07/46/1277230746.db2.gz OZQFHMGUVUOZHJ-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579359145 1277230751 /nfs/dbraw/zinc/23/07/51/1277230751.db2.gz OZQFHMGUVUOZHJ-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359253 1277231008 /nfs/dbraw/zinc/23/10/08/1277231008.db2.gz QRRWOIJXVTXMOX-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359253 1277231013 /nfs/dbraw/zinc/23/10/13/1277231013.db2.gz QRRWOIJXVTXMOX-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359253 1277231019 /nfs/dbraw/zinc/23/10/19/1277231019.db2.gz QRRWOIJXVTXMOX-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001579359253 1277231026 /nfs/dbraw/zinc/23/10/26/1277231026.db2.gz QRRWOIJXVTXMOX-DGCLKSJQSA-N 2 2 361.475 0.713 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359352 1277231177 /nfs/dbraw/zinc/23/11/77/1277231177.db2.gz SWQNDLCFXLQGLY-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359352 1277231182 /nfs/dbraw/zinc/23/11/82/1277231182.db2.gz SWQNDLCFXLQGLY-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359352 1277231185 /nfs/dbraw/zinc/23/11/85/1277231185.db2.gz SWQNDLCFXLQGLY-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001579359352 1277231191 /nfs/dbraw/zinc/23/11/91/1277231191.db2.gz SWQNDLCFXLQGLY-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579359480 1277233370 /nfs/dbraw/zinc/23/33/70/1277233370.db2.gz VRKNYENEKKDOBT-ZIEJDFEHSA-N 2 2 368.445 0.154 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579359480 1277233371 /nfs/dbraw/zinc/23/33/71/1277233371.db2.gz VRKNYENEKKDOBT-ZIEJDFEHSA-N 2 2 368.445 0.154 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372062 1277253791 /nfs/dbraw/zinc/25/37/91/1277253791.db2.gz ZHKYEWIKMIDRHC-BBRMVZONSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579372062 1277253793 /nfs/dbraw/zinc/25/37/93/1277253793.db2.gz ZHKYEWIKMIDRHC-BBRMVZONSA-N 2 2 370.461 0.689 20 0 FCADLP Cc1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)cc1NS(C)(=O)=O ZINC001579663631 1277737034 /nfs/dbraw/zinc/73/70/34/1277737034.db2.gz CHPGMTVDERYVIJ-UHFFFAOYSA-N 2 2 354.476 0.519 20 0 FCADLP Cc1nnc(N2CCC[C@@H]([NH3+])C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001579908339 1277957385 /nfs/dbraw/zinc/95/73/85/1277957385.db2.gz MMMHPCNDTSYVEK-MRXNPFEDSA-N 2 2 357.462 0.794 20 0 FCADLP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1-c1nn[nH]n1 ZINC001580028564 1277996161 /nfs/dbraw/zinc/99/61/61/1277996161.db2.gz PZAGACDDUJJLSB-LLVKDONJSA-N 2 2 370.417 0.435 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001714348785 1287320090 /nfs/dbraw/zinc/32/00/90/1287320090.db2.gz VPJJKDNWLRPBBJ-BZUAXINKSA-N 2 2 359.474 0.630 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH+]cn1C ZINC001580278562 1278074726 /nfs/dbraw/zinc/07/47/26/1278074726.db2.gz CCPRPDZUXXQIEY-LBPRGKRZSA-N 2 2 354.418 0.437 20 0 FCADLP Cc1cc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001581006346 1279225285 /nfs/dbraw/zinc/22/52/85/1279225285.db2.gz PJUWGXVRGRGAOP-GXTWGEPZSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1cc(NC[C@@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011671 1279238402 /nfs/dbraw/zinc/23/84/02/1279238402.db2.gz MUNOJKYVWBFPES-LLVKDONJSA-N 2 2 355.406 0.217 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581013506 1279240158 /nfs/dbraw/zinc/24/01/58/1279240158.db2.gz QSPBHCHJVJTKHC-NSHDSACASA-N 2 2 369.433 0.361 20 0 FCADLP Cc1cc(NC[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581013330 1279240413 /nfs/dbraw/zinc/24/04/13/1279240413.db2.gz NAVGCUZPNFTSEG-JTQLQIEISA-N 2 2 355.406 0.122 20 0 FCADLP Cc1cc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038475 1279274985 /nfs/dbraw/zinc/27/49/85/1279274985.db2.gz NKNYUGBONJQXRG-TXEJJXNPSA-N 2 2 367.417 0.027 20 0 FCADLP Cc1cc(N[C@H]2C[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581039332 1279277976 /nfs/dbraw/zinc/27/79/76/1279277976.db2.gz UKEBEDQNXSMUMG-JOCQHMNTSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NCCNc3cc[nH+]cc3-c3nn[nH]n3)ccn12 ZINC001581320635 1279682349 /nfs/dbraw/zinc/68/23/49/1279682349.db2.gz KVMFYONUMWWOPH-UHFFFAOYSA-N 2 2 363.385 0.482 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581338253 1279718143 /nfs/dbraw/zinc/71/81/43/1279718143.db2.gz FUCAQLMSBKBELN-LBPRGKRZSA-N 2 2 353.390 0.162 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581338531 1279718697 /nfs/dbraw/zinc/71/86/97/1279718697.db2.gz OOXYHYFWXBAYJI-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581338531 1279718700 /nfs/dbraw/zinc/71/87/00/1279718700.db2.gz OOXYHYFWXBAYJI-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581338799 1279719388 /nfs/dbraw/zinc/71/93/88/1279719388.db2.gz ULIDATCPWPTYJY-GFCCVEGCSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581338799 1279719395 /nfs/dbraw/zinc/71/93/95/1279719395.db2.gz ULIDATCPWPTYJY-GFCCVEGCSA-N 2 2 372.458 0.824 20 0 FCADLP COc1cccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001716100280 1287371613 /nfs/dbraw/zinc/37/16/13/1287371613.db2.gz NJPGXKZHEGBDMV-DJIMGWMZSA-N 2 2 358.442 0.799 20 0 FCADLP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001603457269 1287377216 /nfs/dbraw/zinc/37/72/16/1287377216.db2.gz HWQJIMWOXMRTTE-STQMWFEESA-N 2 2 369.433 0.666 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581562843 1280140208 /nfs/dbraw/zinc/14/02/08/1280140208.db2.gz DSIHYDOLTFWURK-CYBMUJFWSA-N 2 2 367.417 0.552 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001581563707 1280140665 /nfs/dbraw/zinc/14/06/65/1280140665.db2.gz LILFILDPUDODMF-FZMZJTMJSA-N 2 2 367.417 0.290 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(N)=O ZINC001717003303 1287400129 /nfs/dbraw/zinc/40/01/29/1287400129.db2.gz UPMMPXMTBXOAEY-OXGONZEZSA-N 2 2 361.490 0.910 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581565411 1280144926 /nfs/dbraw/zinc/14/49/26/1280144926.db2.gz PJCAJCHGXLCOFQ-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001581565411 1280144930 /nfs/dbraw/zinc/14/49/30/1280144930.db2.gz PJCAJCHGXLCOFQ-UHFFFAOYSA-N 2 2 372.408 0.759 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581816934 1280563562 /nfs/dbraw/zinc/56/35/62/1280563562.db2.gz WWGAXQXJNZTLOG-AWEZNQCLSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001581816934 1280563566 /nfs/dbraw/zinc/56/35/66/1280563566.db2.gz WWGAXQXJNZTLOG-AWEZNQCLSA-N 2 2 366.429 0.533 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001582088228 1281039502 /nfs/dbraw/zinc/03/95/02/1281039502.db2.gz AIRROMXHENZEET-UHFFFAOYSA-N 2 2 372.458 0.953 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582088660 1281040050 /nfs/dbraw/zinc/04/00/50/1281040050.db2.gz KJXOHJJVNDPNKJ-UHFFFAOYSA-N 2 2 366.429 0.892 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582088683 1281040934 /nfs/dbraw/zinc/04/09/34/1281040934.db2.gz KXNBRPBPJDNGSD-CYBMUJFWSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582089060 1281041847 /nfs/dbraw/zinc/04/18/47/1281041847.db2.gz SHFPVDICJUQWSJ-CYBMUJFWSA-N 2 2 367.417 0.373 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582100192 1281056331 /nfs/dbraw/zinc/05/63/31/1281056331.db2.gz AIGKXDJWFPNDCN-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001582100192 1281056337 /nfs/dbraw/zinc/05/63/37/1281056337.db2.gz AIGKXDJWFPNDCN-HNNXBMFYSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582169270 1281135816 /nfs/dbraw/zinc/13/58/16/1281135816.db2.gz KNPCVZDYVPNAFV-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582169510 1281136693 /nfs/dbraw/zinc/13/66/93/1281136693.db2.gz VYSNTHQACSKJGY-CYBMUJFWSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582183886 1281163254 /nfs/dbraw/zinc/16/32/54/1281163254.db2.gz NGCDIMZDNBXAOK-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582183886 1281163256 /nfs/dbraw/zinc/16/32/56/1281163256.db2.gz NGCDIMZDNBXAOK-UHFFFAOYSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582184139 1281163895 /nfs/dbraw/zinc/16/38/95/1281163895.db2.gz YFWIGOJOBLDGLP-OTVXOJSOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582194934 1281174847 /nfs/dbraw/zinc/17/48/47/1281174847.db2.gz CRSKPHRPBPPABY-CQSZACIVSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001582194902 1281175058 /nfs/dbraw/zinc/17/50/58/1281175058.db2.gz BBADARFSVXWISK-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582196210 1281176294 /nfs/dbraw/zinc/17/62/94/1281176294.db2.gz GIHSBHVFIDEGQK-OCCSQVGLSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001582195868 1281177266 /nfs/dbraw/zinc/17/72/66/1281177266.db2.gz AOXLCHGKRBSJEV-CYBMUJFWSA-N 2 2 372.458 0.809 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197410 1281181768 /nfs/dbraw/zinc/18/17/68/1281181768.db2.gz OABXKNKQZAMWRC-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197410 1281181771 /nfs/dbraw/zinc/18/17/71/1281181771.db2.gz OABXKNKQZAMWRC-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197783 1281182782 /nfs/dbraw/zinc/18/27/82/1281182782.db2.gz YQOABUGCABMXSQ-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582197783 1281182785 /nfs/dbraw/zinc/18/27/85/1281182785.db2.gz YQOABUGCABMXSQ-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197382 1281183001 /nfs/dbraw/zinc/18/30/01/1281183001.db2.gz MRJXYRBNGYFTGN-LLVKDONJSA-N 2 2 358.431 0.515 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582197382 1281183006 /nfs/dbraw/zinc/18/30/06/1281183006.db2.gz MRJXYRBNGYFTGN-LLVKDONJSA-N 2 2 358.431 0.515 20 0 FCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001603789522 1287498451 /nfs/dbraw/zinc/49/84/51/1287498451.db2.gz NZXUPBPYAWBCRN-MRXNPFEDSA-N 2 2 369.473 0.945 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001632256222 1282167158 /nfs/dbraw/zinc/16/71/58/1282167158.db2.gz RBFLWPDLQDKLJI-HNNXBMFYSA-N 2 2 364.446 0.645 20 0 FCADLP C[C@H](CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001589826896 1283065168 /nfs/dbraw/zinc/06/51/68/1283065168.db2.gz LLEIKMHDBHBFJI-LLVKDONJSA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001589963507 1283149934 /nfs/dbraw/zinc/14/99/34/1283149934.db2.gz XSAKEORAWIWGNY-CJNGLKHVSA-N 2 2 372.477 0.419 20 0 FCADLP C[C@@H]([NH2+]CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001589963507 1283149938 /nfs/dbraw/zinc/14/99/38/1283149938.db2.gz XSAKEORAWIWGNY-CJNGLKHVSA-N 2 2 372.477 0.419 20 0 FCADLP C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001590023080 1283178821 /nfs/dbraw/zinc/17/88/21/1283178821.db2.gz RWHUQTVZZSBAQP-GFCCVEGCSA-N 2 2 359.434 0.173 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001681238251 1283487931 /nfs/dbraw/zinc/48/79/31/1283487931.db2.gz PNYWRTGLAQTXIJ-RKHAHWSXSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001681238251 1283487935 /nfs/dbraw/zinc/48/79/35/1283487935.db2.gz PNYWRTGLAQTXIJ-RKHAHWSXSA-N 2 2 361.490 0.799 20 0 FCADLP C/C=C(\C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001590351343 1283492846 /nfs/dbraw/zinc/49/28/46/1283492846.db2.gz UYCNJYNOIGCYOB-LZWSPWQCSA-N 2 2 370.461 0.856 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001684239242 1284148896 /nfs/dbraw/zinc/14/88/96/1284148896.db2.gz YVVSCPBHTVFJSR-PNBKFKSVSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001684239242 1284148903 /nfs/dbraw/zinc/14/89/03/1284148903.db2.gz YVVSCPBHTVFJSR-PNBKFKSVSA-N 2 2 361.490 0.704 20 0 FCADLP CN(CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)CCn1cc[nH+]c1 ZINC001591102237 1284171297 /nfs/dbraw/zinc/17/12/97/1284171297.db2.gz IYRDQBLCMZAIEC-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CN(CC[NH2+]Cc1ccccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]cn1C ZINC001591104902 1284177555 /nfs/dbraw/zinc/17/75/55/1284177555.db2.gz UJJAQSKPEKMPNU-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2coc(-c3nn[nH]n3)c2)CC1 ZINC001591193096 1284310002 /nfs/dbraw/zinc/31/00/02/1284310002.db2.gz RHSHNPGTYKBOTM-UHFFFAOYSA-N 2 2 354.374 0.859 20 0 FCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591462238 1284629181 /nfs/dbraw/zinc/62/91/81/1284629181.db2.gz FJVKNOXOOZCTEI-CYBMUJFWSA-N 2 2 373.461 0.829 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+]CCNc2ncccc2-c2nn[nH]n2)s1 ZINC001604692084 1287734322 /nfs/dbraw/zinc/73/43/22/1287734322.db2.gz MPDIHCWNSWZRIU-UHFFFAOYSA-N 2 2 359.463 0.982 20 0 FCADLP Cc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592000009 1285049530 /nfs/dbraw/zinc/04/95/30/1285049530.db2.gz NBZQDCFGSDLVJV-UHFFFAOYSA-N 2 2 370.461 0.561 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001604720764 1287757459 /nfs/dbraw/zinc/75/74/59/1287757459.db2.gz YHEYHAZVFVLWPW-QGZVFWFLSA-N 2 2 372.473 0.917 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(-c3nn[nH]n3)cc2)CCOCC1)C1CC1 ZINC001604720764 1287757464 /nfs/dbraw/zinc/75/74/64/1287757464.db2.gz YHEYHAZVFVLWPW-QGZVFWFLSA-N 2 2 372.473 0.917 20 0 FCADLP Cc1cc(NC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592048011 1285093104 /nfs/dbraw/zinc/09/31/04/1285093104.db2.gz YHPDAVYEIHFSIO-IHWYPQMZSA-N 2 2 353.390 0.042 20 0 FCADLP Cc1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(-c2nn[nH]n2)n1 ZINC001592383245 1285293397 /nfs/dbraw/zinc/29/33/97/1285293397.db2.gz UMSUBMGEFKMAFV-UHFFFAOYSA-N 2 2 357.466 0.936 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592419101 1285343631 /nfs/dbraw/zinc/34/36/31/1285343631.db2.gz BJCURHZGNLTKKU-IHWYPQMZSA-N 2 2 372.458 0.895 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592590196 1285521014 /nfs/dbraw/zinc/52/10/14/1285521014.db2.gz PGDLOFFZHBIBNS-HUUCEWRRSA-N 2 2 366.429 0.610 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001702423452 1285667519 /nfs/dbraw/zinc/66/75/19/1285667519.db2.gz JXKZLMFACRZPGK-QLFBSQMISA-N 2 2 365.453 0.691 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592860194 1285763817 /nfs/dbraw/zinc/76/38/17/1285763817.db2.gz QQAXLBTUYZPQKV-UPHRSURJSA-N 2 2 366.429 0.916 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCn2c[nH+]cc2C1)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593504729 1286185133 /nfs/dbraw/zinc/18/51/33/1286185133.db2.gz MFTADTVHCCXKPC-HIFRSBDPSA-N 2 2 355.402 0.408 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001597116655 1286328460 /nfs/dbraw/zinc/32/84/60/1286328460.db2.gz XKUYBHIGCLBKSN-GOSISDBHSA-N 2 2 372.510 0.404 20 0 FCADLP COc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1-c1nn[nH]n1 ZINC001605210496 1287910943 /nfs/dbraw/zinc/91/09/43/1287910943.db2.gz HPONDZZLEFCTOD-UHFFFAOYSA-N 2 2 354.418 0.931 20 0 FCADLP CO[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001719243618 1287935712 /nfs/dbraw/zinc/93/57/12/1287935712.db2.gz FDFBKFRRULIWTB-ARFHVFGLSA-N 2 2 365.478 0.518 20 0 FCADLP Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001605523505 1287988300 /nfs/dbraw/zinc/98/83/00/1287988300.db2.gz QCSBLXZLBNASGT-INIZCTEOSA-N 2 2 357.462 0.913 20 0 FCADLP Cc1cc(-c2nn[nH]n2)cc(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001605523505 1287988305 /nfs/dbraw/zinc/98/83/05/1287988305.db2.gz QCSBLXZLBNASGT-INIZCTEOSA-N 2 2 357.462 0.913 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNC(=O)C1CC[NH+](C)CC1 ZINC001721601367 1288356551 /nfs/dbraw/zinc/35/65/51/1288356551.db2.gz GPRYVINVKRBVAY-NUEKZKHPSA-N 2 2 361.490 0.734 20 0 FCADLP C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725992051 1288484339 /nfs/dbraw/zinc/48/43/39/1288484339.db2.gz VXHDAVVJESMXES-FVQBIDKESA-N 2 2 361.490 0.829 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1ccn(C)c(=O)c1 ZINC001731810626 1288567540 /nfs/dbraw/zinc/56/75/40/1288567540.db2.gz FYMYXUYDSBEPHM-HZPDHXFCSA-N 2 2 357.458 0.861 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1ccn(C)c(=O)c1 ZINC001731810626 1288567544 /nfs/dbraw/zinc/56/75/44/1288567544.db2.gz FYMYXUYDSBEPHM-HZPDHXFCSA-N 2 2 357.458 0.861 20 0 FCADLP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1ccon1 ZINC001731865359 1288568914 /nfs/dbraw/zinc/56/89/14/1288568914.db2.gz ZZJWLJOKSVHAOW-ZIAGYGMSSA-N 2 2 351.451 0.782 20 0 FCADLP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)Nc1ccon1 ZINC001731865359 1288568918 /nfs/dbraw/zinc/56/89/18/1288568918.db2.gz ZZJWLJOKSVHAOW-ZIAGYGMSSA-N 2 2 351.451 0.782 20 0 FCADLP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)Nc1ccon1 ZINC001731865359 1288568921 /nfs/dbraw/zinc/56/89/21/1288568921.db2.gz ZZJWLJOKSVHAOW-ZIAGYGMSSA-N 2 2 351.451 0.782 20 0 FCADLP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)Nc1ccon1 ZINC001731865359 1288568926 /nfs/dbraw/zinc/56/89/26/1288568926.db2.gz ZZJWLJOKSVHAOW-ZIAGYGMSSA-N 2 2 351.451 0.782 20 0 FCADLP Cc1noc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001732064023 1288573150 /nfs/dbraw/zinc/57/31/50/1288573150.db2.gz YYBHPPBRDJQSON-GDBMZVCRSA-N 2 2 364.494 0.294 20 0 FCADLP Cc1noc(CN2CC[NH+](CCN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001732064023 1288573152 /nfs/dbraw/zinc/57/31/52/1288573152.db2.gz YYBHPPBRDJQSON-GDBMZVCRSA-N 2 2 364.494 0.294 20 0 FCADLP O=S(=O)(CC[NH2+][C@@H]1Cc2c[nH+]cn2C1)c1cccc(-c2nn[nH]n2)c1 ZINC001607058465 1288627870 /nfs/dbraw/zinc/62/78/70/1288627870.db2.gz XNGDIEMAUFMJTI-GFCCVEGCSA-N 2 2 359.415 0.051 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001734270924 1288646575 /nfs/dbraw/zinc/64/65/75/1288646575.db2.gz PIQOJIIWFNDKQP-FVQBIDKESA-N 2 2 361.490 0.923 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001734270924 1288646582 /nfs/dbraw/zinc/64/65/82/1288646582.db2.gz PIQOJIIWFNDKQP-FVQBIDKESA-N 2 2 361.490 0.923 20 0 FCADLP c1ccc(N2CC[NH+](CCNc3cc[nH+]cc3-c3nn[nH]n3)CC2)cc1 ZINC001607130066 1288671324 /nfs/dbraw/zinc/67/13/24/1288671324.db2.gz AZTBJJARTCXWSR-UHFFFAOYSA-N 2 2 350.430 0.918 20 0 FCADLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1CCC[NH2+][C@@H]1CCNC1=O ZINC001691899381 1289336849 /nfs/dbraw/zinc/33/68/49/1289336849.db2.gz VWLOEMMYXPWOJM-DJIMGWMZSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692086660 1289394497 /nfs/dbraw/zinc/39/44/97/1289394497.db2.gz IOBVLURUEGYNFD-BBWFWOEESA-N 2 2 361.490 0.920 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692086660 1289394505 /nfs/dbraw/zinc/39/45/05/1289394505.db2.gz IOBVLURUEGYNFD-BBWFWOEESA-N 2 2 361.490 0.920 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156271 1289409627 /nfs/dbraw/zinc/40/96/27/1289409627.db2.gz JMPVCXHTHWPJCY-IAGOWNOFSA-N 2 2 364.465 0.925 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156271 1289409632 /nfs/dbraw/zinc/40/96/32/1289409632.db2.gz JMPVCXHTHWPJCY-IAGOWNOFSA-N 2 2 364.465 0.925 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156271 1289409635 /nfs/dbraw/zinc/40/96/35/1289409635.db2.gz JMPVCXHTHWPJCY-IAGOWNOFSA-N 2 2 364.465 0.925 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1c1ccc(F)cc1 ZINC001692156271 1289409640 /nfs/dbraw/zinc/40/96/40/1289409640.db2.gz JMPVCXHTHWPJCY-IAGOWNOFSA-N 2 2 364.465 0.925 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001692361345 1289451191 /nfs/dbraw/zinc/45/11/91/1289451191.db2.gz MSJCGVFCQDRLJD-ZBFHGGJFSA-N 2 2 361.490 0.819 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001692361345 1289451195 /nfs/dbraw/zinc/45/11/95/1289451195.db2.gz MSJCGVFCQDRLJD-ZBFHGGJFSA-N 2 2 361.490 0.819 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001692367965 1289454715 /nfs/dbraw/zinc/45/47/15/1289454715.db2.gz FEDKOZCTRQOAQM-ZBFHGGJFSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001692367965 1289454720 /nfs/dbraw/zinc/45/47/20/1289454720.db2.gz FEDKOZCTRQOAQM-ZBFHGGJFSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001692367965 1289454723 /nfs/dbraw/zinc/45/47/23/1289454723.db2.gz FEDKOZCTRQOAQM-ZBFHGGJFSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001692367965 1289454727 /nfs/dbraw/zinc/45/47/27/1289454727.db2.gz FEDKOZCTRQOAQM-ZBFHGGJFSA-N 2 2 371.547 0.875 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001698083293 1289523022 /nfs/dbraw/zinc/52/30/22/1289523022.db2.gz ZQUUSDVXCROLOB-INIZCTEOSA-N 2 2 359.478 0.814 20 0 FCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001699656036 1289559399 /nfs/dbraw/zinc/55/93/99/1289559399.db2.gz BJJHYLYANOUBEF-OAGGEKHMSA-N 2 2 355.479 0.140 20 0 FCADLP COCC[N@H+](C[C@H](C)O)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001699689693 1289562364 /nfs/dbraw/zinc/56/23/64/1289562364.db2.gz GIUXSJHQPFRIQX-USXIJHARSA-N 2 2 364.490 0.844 20 0 FCADLP COCC[N@@H+](C[C@H](C)O)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001699689693 1289562370 /nfs/dbraw/zinc/56/23/70/1289562370.db2.gz GIUXSJHQPFRIQX-USXIJHARSA-N 2 2 364.490 0.844 20 0 FCADLP CCNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699889392 1289571124 /nfs/dbraw/zinc/57/11/24/1289571124.db2.gz XVCVBEXRRVMPGC-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP CCNC(=O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699889392 1289571130 /nfs/dbraw/zinc/57/11/30/1289571130.db2.gz XVCVBEXRRVMPGC-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP CCNC(=O)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699889392 1289571138 /nfs/dbraw/zinc/57/11/38/1289571138.db2.gz XVCVBEXRRVMPGC-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP CCNC(=O)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699889392 1289571143 /nfs/dbraw/zinc/57/11/43/1289571143.db2.gz XVCVBEXRRVMPGC-HZSPNIEDSA-N 2 2 360.449 0.536 20 0 FCADLP CCc1cnc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001699896659 1289571186 /nfs/dbraw/zinc/57/11/86/1289571186.db2.gz BVGLVEBSWPGXJY-SIIHOXLZSA-N 2 2 350.463 0.630 20 0 FCADLP CCc1cnc(C[N@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001699896659 1289571193 /nfs/dbraw/zinc/57/11/93/1289571193.db2.gz BVGLVEBSWPGXJY-SIIHOXLZSA-N 2 2 350.463 0.630 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001699896659 1289571198 /nfs/dbraw/zinc/57/11/98/1289571198.db2.gz BVGLVEBSWPGXJY-SIIHOXLZSA-N 2 2 350.463 0.630 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001699896659 1289571200 /nfs/dbraw/zinc/57/12/00/1289571200.db2.gz BVGLVEBSWPGXJY-SIIHOXLZSA-N 2 2 350.463 0.630 20 0 FCADLP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001699902652 1289575409 /nfs/dbraw/zinc/57/54/09/1289575409.db2.gz HZIKYKJGFLEBNR-AOIWGVFYSA-N 2 2 369.506 0.075 20 0 FCADLP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001699902652 1289575414 /nfs/dbraw/zinc/57/54/14/1289575414.db2.gz HZIKYKJGFLEBNR-AOIWGVFYSA-N 2 2 369.506 0.075 20 0 FCADLP CN(CCC[N@H+](C)[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700192629 1289585072 /nfs/dbraw/zinc/58/50/72/1289585072.db2.gz YVHAJKVVWWYLFR-OAGGEKHMSA-N 2 2 361.490 0.925 20 0 FCADLP CN(CCC[N@@H+](C)[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700192629 1289585080 /nfs/dbraw/zinc/58/50/80/1289585080.db2.gz YVHAJKVVWWYLFR-OAGGEKHMSA-N 2 2 361.490 0.925 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001739074464 1289794537 /nfs/dbraw/zinc/79/45/37/1289794537.db2.gz NXUFTMSZHSGHQD-ZIAGYGMSSA-N 2 2 359.474 0.630 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nnnn2CC2CCOCC2)CC1 ZINC001618619739 1289923671 /nfs/dbraw/zinc/92/36/71/1289923671.db2.gz MYQAZJYVANPSPC-UHFFFAOYSA-N 2 2 365.526 0.605 20 0 FCADLP CC[C@@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001621641767 1290046743 /nfs/dbraw/zinc/04/67/43/1290046743.db2.gz WXVGOCBKXZVPPM-SFHVURJKSA-N 2 2 366.531 0.905 20 0 FCADLP CC[C@@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001621641767 1290046751 /nfs/dbraw/zinc/04/67/51/1290046751.db2.gz WXVGOCBKXZVPPM-SFHVURJKSA-N 2 2 366.531 0.905 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001625607639 1290354367 /nfs/dbraw/zinc/35/43/67/1290354367.db2.gz KKQAMFLISYGZIO-UHFFFAOYSA-N 2 2 355.442 0.896 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001748173587 1290598353 /nfs/dbraw/zinc/59/83/53/1290598353.db2.gz UMPKSAAPHXGCPR-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001748173587 1290598360 /nfs/dbraw/zinc/59/83/60/1290598360.db2.gz UMPKSAAPHXGCPR-MDZRGWNJSA-N 2 2 361.490 0.968 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(S(N)(=O)=O)o3)cn2)CC1 ZINC001656014306 1291493853 /nfs/dbraw/zinc/49/38/53/1291493853.db2.gz UJGQMCNAJCOEHP-UHFFFAOYSA-N 2 2 365.459 0.364 20 0 FCADLP CC(=O)N1CCC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001656255488 1291503005 /nfs/dbraw/zinc/50/30/05/1291503005.db2.gz XNXWITBQYDDXKN-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(OCCO)CCOCC2)CC1 ZINC001657874897 1291616553 /nfs/dbraw/zinc/61/65/53/1291616553.db2.gz VZQQKWUDGONPSN-UHFFFAOYSA-N 2 2 358.479 0.552 20 0 FCADLP CC(C)OCC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001660938855 1291676244 /nfs/dbraw/zinc/67/62/44/1291676244.db2.gz KSOZQTODLVCNSC-IAGOWNOFSA-N 2 2 363.506 0.682 20 0 FCADLP CCc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cs1 ZINC001667893352 1291948872 /nfs/dbraw/zinc/94/88/72/1291948872.db2.gz HKNOINDLKJBIEJ-MGPQQGTHSA-N 2 2 363.487 0.809 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001679096599 1292292235 /nfs/dbraw/zinc/29/22/35/1292292235.db2.gz SLXWDFQETYAXED-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001689231820 1294688177 /nfs/dbraw/zinc/68/81/77/1294688177.db2.gz MGMUNWCGGIYVGA-RYRKJORJSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001689231820 1294688184 /nfs/dbraw/zinc/68/81/84/1294688184.db2.gz MGMUNWCGGIYVGA-RYRKJORJSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001689239663 1294700954 /nfs/dbraw/zinc/70/09/54/1294700954.db2.gz WLALGFLHOCDLIR-ZACQAIPSSA-N 2 2 361.490 0.824 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001689239663 1294700956 /nfs/dbraw/zinc/70/09/56/1294700956.db2.gz WLALGFLHOCDLIR-ZACQAIPSSA-N 2 2 361.490 0.824 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001689318342 1294741570 /nfs/dbraw/zinc/74/15/70/1294741570.db2.gz FQAHTWCLAXDVBC-KMFMINBZSA-N 2 2 361.490 0.859 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001689318342 1294741578 /nfs/dbraw/zinc/74/15/78/1294741578.db2.gz FQAHTWCLAXDVBC-KMFMINBZSA-N 2 2 361.490 0.859 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001690423533 1294867265 /nfs/dbraw/zinc/86/72/65/1294867265.db2.gz PIOWOUJXGCBYTI-BZUAXINKSA-N 2 2 359.474 0.584 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(=O)Nc1ncccn1 ZINC001691651215 1294901575 /nfs/dbraw/zinc/90/15/75/1294901575.db2.gz JASMFIVOLLJYFI-HZSPNIEDSA-N 2 2 371.445 0.644 20 0 FCADLP CCO[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CC(=O)NC ZINC001691752480 1294916140 /nfs/dbraw/zinc/91/61/40/1294916140.db2.gz FDDJNBZVQOBXEL-CZUORRHYSA-N 2 2 359.430 0.376 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C[NH2+]CCn2cncn2)C1 ZINC001691823696 1294928864 /nfs/dbraw/zinc/92/88/64/1294928864.db2.gz CJMKWMIGDLPQGR-IKGGRYGDSA-N 2 2 371.489 0.954 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4[nH]c(C)cc43)C2)C1 ZINC001164720044 720234506 /nfs/dbraw/zinc/23/45/06/720234506.db2.gz QTIHTBVQQWFPJL-IBGZPJMESA-N 2 2 372.473 0.931 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4[nH]c(C)cc43)C2)C1 ZINC001164720044 720234514 /nfs/dbraw/zinc/23/45/14/720234514.db2.gz QTIHTBVQQWFPJL-IBGZPJMESA-N 2 2 372.473 0.931 20 0 FCADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927074 721850476 /nfs/dbraw/zinc/85/04/76/721850476.db2.gz JISDKOWVSBVPAE-IAGOWNOFSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927074 721850477 /nfs/dbraw/zinc/85/04/77/721850477.db2.gz JISDKOWVSBVPAE-IAGOWNOFSA-N 2 2 359.522 0.443 20 0 FCADLP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164927074 721850479 /nfs/dbraw/zinc/85/04/79/721850479.db2.gz JISDKOWVSBVPAE-IAGOWNOFSA-N 2 2 359.522 0.443 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC[N@@H+]3C)n2)O1 ZINC001070574655 837659636 /nfs/dbraw/zinc/65/96/36/837659636.db2.gz PKPFAYATYLHRQK-MELADBBJSA-N 2 2 350.467 0.735 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CCCC[N@H+]3C)n2)O1 ZINC001070574655 837659639 /nfs/dbraw/zinc/65/96/39/837659639.db2.gz PKPFAYATYLHRQK-MELADBBJSA-N 2 2 350.467 0.735 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cncs3)CCCO2)O1 ZINC001073660782 837784074 /nfs/dbraw/zinc/78/40/74/837784074.db2.gz OIBAUKLBLVFSAW-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cncs3)CCCO2)O1 ZINC001073660782 837784081 /nfs/dbraw/zinc/78/40/81/837784081.db2.gz OIBAUKLBLVFSAW-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cncs3)CCCO2)O1 ZINC001073660782 837784089 /nfs/dbraw/zinc/78/40/89/837784089.db2.gz OIBAUKLBLVFSAW-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cncs3)CCCO2)O1 ZINC001073660782 837784092 /nfs/dbraw/zinc/78/40/92/837784092.db2.gz OIBAUKLBLVFSAW-IIAWOOMASA-N 2 2 368.503 0.569 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341525 844034145 /nfs/dbraw/zinc/03/41/45/844034145.db2.gz IBKAUESFRJIAQW-YNEHKIRRSA-N 2 2 359.396 0.851 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341525 844034152 /nfs/dbraw/zinc/03/41/52/844034152.db2.gz IBKAUESFRJIAQW-YNEHKIRRSA-N 2 2 359.396 0.851 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C(F)(F)F)[nH]1 ZINC001099341887 844034737 /nfs/dbraw/zinc/03/47/37/844034737.db2.gz YXOMAVRSKNWPBN-IJLUTSLNSA-N 2 2 360.384 0.544 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C(F)(F)F)[nH]1 ZINC001099341887 844034745 /nfs/dbraw/zinc/03/47/45/844034745.db2.gz YXOMAVRSKNWPBN-IJLUTSLNSA-N 2 2 360.384 0.544 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099342419 844035312 /nfs/dbraw/zinc/03/53/12/844035312.db2.gz NMQDRKNGJLNMRN-IJLUTSLNSA-N 2 2 361.368 0.434 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214370 844107865 /nfs/dbraw/zinc/10/78/65/844107865.db2.gz ZTLRGYSMCAVGNA-QAPCUYQASA-N 2 2 350.463 0.786 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214370 844107872 /nfs/dbraw/zinc/10/78/72/844107872.db2.gz ZTLRGYSMCAVGNA-QAPCUYQASA-N 2 2 350.463 0.786 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000461758921 836075046 /nfs/dbraw/zinc/07/50/46/836075046.db2.gz NVYWKASXCOLHCK-HRCADAONSA-N 2 2 374.551 0.477 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000461758921 836075060 /nfs/dbraw/zinc/07/50/60/836075060.db2.gz NVYWKASXCOLHCK-HRCADAONSA-N 2 2 374.551 0.477 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745802377 836152880 /nfs/dbraw/zinc/15/28/80/836152880.db2.gz LMYHLHUUSIDIHG-YESZJQIVSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745802377 836152883 /nfs/dbraw/zinc/15/28/83/836152883.db2.gz LMYHLHUUSIDIHG-YESZJQIVSA-N 2 2 352.479 0.356 20 0 FCADLP COC(=O)CCCNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000747619973 836252840 /nfs/dbraw/zinc/25/28/40/836252840.db2.gz LWEXTSQKOPBFCN-UHFFFAOYSA-N 2 2 356.536 0.962 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000750188495 836410274 /nfs/dbraw/zinc/41/02/74/836410274.db2.gz XCMZZVOUHLBFJK-HNNXBMFYSA-N 2 2 356.492 0.549 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076633193 838034437 /nfs/dbraw/zinc/03/44/37/838034437.db2.gz BYJQKJCPALWEAI-OWCLPIDISA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076633193 838034450 /nfs/dbraw/zinc/03/44/50/838034450.db2.gz BYJQKJCPALWEAI-OWCLPIDISA-N 2 2 366.487 0.241 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805739 838112904 /nfs/dbraw/zinc/11/29/04/838112904.db2.gz SQYVAUQJKSRULY-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805739 838112912 /nfs/dbraw/zinc/11/29/12/838112912.db2.gz SQYVAUQJKSRULY-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805739 838112917 /nfs/dbraw/zinc/11/29/17/838112917.db2.gz SQYVAUQJKSRULY-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1O ZINC001076805739 838112927 /nfs/dbraw/zinc/11/29/27/838112927.db2.gz SQYVAUQJKSRULY-BRWVUGGUSA-N 2 2 367.877 0.974 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812898 838118039 /nfs/dbraw/zinc/11/80/39/838118039.db2.gz XFJGHABHQVBNGJ-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812898 838118044 /nfs/dbraw/zinc/11/80/44/838118044.db2.gz XFJGHABHQVBNGJ-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812898 838118050 /nfs/dbraw/zinc/11/80/50/838118050.db2.gz XFJGHABHQVBNGJ-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001076812898 838118056 /nfs/dbraw/zinc/11/80/56/838118056.db2.gz XFJGHABHQVBNGJ-IXDOHACOSA-N 2 2 353.413 0.763 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)s1 ZINC001076985906 838194153 /nfs/dbraw/zinc/19/41/53/838194153.db2.gz CNQSNQCATZFODH-BZUAXINKSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)s1 ZINC001076985906 838194159 /nfs/dbraw/zinc/19/41/59/838194159.db2.gz CNQSNQCATZFODH-BZUAXINKSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)s1 ZINC001076985906 838194167 /nfs/dbraw/zinc/19/41/67/838194167.db2.gz CNQSNQCATZFODH-BZUAXINKSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C(C)C)C2)s1 ZINC001076985906 838194172 /nfs/dbraw/zinc/19/41/72/838194172.db2.gz CNQSNQCATZFODH-BZUAXINKSA-N 2 2 352.504 0.986 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)c[nH+]1 ZINC001077218419 838822381 /nfs/dbraw/zinc/82/23/81/838822381.db2.gz ZVLQQSSUIJQZNG-ARFHVFGLSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2O)c[nH+]1 ZINC001077218419 838822390 /nfs/dbraw/zinc/82/23/90/838822390.db2.gz ZVLQQSSUIJQZNG-ARFHVFGLSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)s1 ZINC001077218063 838823421 /nfs/dbraw/zinc/82/34/21/838823421.db2.gz PNRMCALRLCOJNG-HZPDHXFCSA-N 2 2 364.515 0.989 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)s1 ZINC001077218063 838823434 /nfs/dbraw/zinc/82/34/34/838823434.db2.gz PNRMCALRLCOJNG-HZPDHXFCSA-N 2 2 364.515 0.989 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cs1 ZINC001077299430 838887834 /nfs/dbraw/zinc/88/78/34/838887834.db2.gz AVEONUJMSXLGAS-HZPDHXFCSA-N 2 2 364.515 0.784 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cs1 ZINC001077299430 838887845 /nfs/dbraw/zinc/88/78/45/838887845.db2.gz AVEONUJMSXLGAS-HZPDHXFCSA-N 2 2 364.515 0.784 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC1 ZINC001077618449 839072167 /nfs/dbraw/zinc/07/21/67/839072167.db2.gz IVFXWHAHZTWLHP-HUUCEWRRSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC1 ZINC001077618449 839072178 /nfs/dbraw/zinc/07/21/78/839072178.db2.gz IVFXWHAHZTWLHP-HUUCEWRRSA-N 2 2 355.870 0.040 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675417 839102095 /nfs/dbraw/zinc/10/20/95/839102095.db2.gz MXFWLXPRGANHJG-DAXOMENPSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675417 839102099 /nfs/dbraw/zinc/10/20/99/839102099.db2.gz MXFWLXPRGANHJG-DAXOMENPSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675417 839102104 /nfs/dbraw/zinc/10/21/04/839102104.db2.gz MXFWLXPRGANHJG-DAXOMENPSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675417 839102109 /nfs/dbraw/zinc/10/21/09/839102109.db2.gz MXFWLXPRGANHJG-DAXOMENPSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077677138 839105956 /nfs/dbraw/zinc/10/59/56/839105956.db2.gz ZOOIKKFJFYYZHI-HFBAOOFYSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077677138 839105962 /nfs/dbraw/zinc/10/59/62/839105962.db2.gz ZOOIKKFJFYYZHI-HFBAOOFYSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077677138 839105966 /nfs/dbraw/zinc/10/59/66/839105966.db2.gz ZOOIKKFJFYYZHI-HFBAOOFYSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077677138 839105971 /nfs/dbraw/zinc/10/59/71/839105971.db2.gz ZOOIKKFJFYYZHI-HFBAOOFYSA-N 2 2 352.504 0.906 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679323 839106654 /nfs/dbraw/zinc/10/66/54/839106654.db2.gz OOFSJQPSLYTYDH-APHBMKBZSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679323 839106662 /nfs/dbraw/zinc/10/66/62/839106662.db2.gz OOFSJQPSLYTYDH-APHBMKBZSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679323 839106668 /nfs/dbraw/zinc/10/66/68/839106668.db2.gz OOFSJQPSLYTYDH-APHBMKBZSA-N 2 2 350.463 0.549 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679323 839106672 /nfs/dbraw/zinc/10/66/72/839106672.db2.gz OOFSJQPSLYTYDH-APHBMKBZSA-N 2 2 350.463 0.549 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)sn1 ZINC001077779233 839153300 /nfs/dbraw/zinc/15/33/00/839153300.db2.gz HDMBEIWAJNMPKZ-HZPDHXFCSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)sn1 ZINC001077779233 839153307 /nfs/dbraw/zinc/15/33/07/839153307.db2.gz HDMBEIWAJNMPKZ-HZPDHXFCSA-N 2 2 352.504 0.845 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077892763 839212186 /nfs/dbraw/zinc/21/21/86/839212186.db2.gz IXUZQSDTURTFMV-KFWWJZLASA-N 2 2 361.433 0.304 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@H]2O)CC1 ZINC001077892763 839212198 /nfs/dbraw/zinc/21/21/98/839212198.db2.gz IXUZQSDTURTFMV-KFWWJZLASA-N 2 2 361.433 0.304 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ccc1Cl ZINC001078174393 839378748 /nfs/dbraw/zinc/37/87/48/839378748.db2.gz JVTOPOVQQHMTQU-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ccc1Cl ZINC001078174393 839378762 /nfs/dbraw/zinc/37/87/62/839378762.db2.gz JVTOPOVQQHMTQU-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ccc1Cl ZINC001078174393 839378772 /nfs/dbraw/zinc/37/87/72/839378772.db2.gz JVTOPOVQQHMTQU-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ccc1Cl ZINC001078174393 839378786 /nfs/dbraw/zinc/37/87/86/839378786.db2.gz JVTOPOVQQHMTQU-NUEKZKHPSA-N 2 2 367.877 0.962 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789764 839591686 /nfs/dbraw/zinc/59/16/86/839591686.db2.gz WGQVCVUNAFAPDB-BNOWGMLFSA-N 2 2 350.488 0.748 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001079789764 839591694 /nfs/dbraw/zinc/59/16/94/839591694.db2.gz WGQVCVUNAFAPDB-BNOWGMLFSA-N 2 2 350.488 0.748 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965814 839634726 /nfs/dbraw/zinc/63/47/26/839634726.db2.gz WKEULJLXCYZYSB-KFWWJZLASA-N 2 2 350.463 0.056 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965814 839634733 /nfs/dbraw/zinc/63/47/33/839634733.db2.gz WKEULJLXCYZYSB-KFWWJZLASA-N 2 2 350.463 0.056 20 0 FCADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079965814 839634738 /nfs/dbraw/zinc/63/47/38/839634738.db2.gz WKEULJLXCYZYSB-KFWWJZLASA-N 2 2 350.463 0.056 20 0 FCADLP C[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079965814 839634743 /nfs/dbraw/zinc/63/47/43/839634743.db2.gz WKEULJLXCYZYSB-KFWWJZLASA-N 2 2 350.463 0.056 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667539 839774969 /nfs/dbraw/zinc/77/49/69/839774969.db2.gz IWTYENCOQLLUNK-BFYDXBDKSA-N 2 2 350.507 0.822 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667539 839774976 /nfs/dbraw/zinc/77/49/76/839774976.db2.gz IWTYENCOQLLUNK-BFYDXBDKSA-N 2 2 350.507 0.822 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001080947593 839839539 /nfs/dbraw/zinc/83/95/39/839839539.db2.gz DGNBTWVSRGKQIG-CZUORRHYSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001080947593 839839543 /nfs/dbraw/zinc/83/95/43/839839543.db2.gz DGNBTWVSRGKQIG-CZUORRHYSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001080948035 839840227 /nfs/dbraw/zinc/84/02/27/839840227.db2.gz YXCOZEZSSIIZMO-VNQPRFMTSA-N 2 2 368.503 0.453 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001080948035 839840234 /nfs/dbraw/zinc/84/02/34/839840234.db2.gz YXCOZEZSSIIZMO-VNQPRFMTSA-N 2 2 368.503 0.453 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699557 840004240 /nfs/dbraw/zinc/00/42/40/840004240.db2.gz CSPSFACODXNWAU-OWCLPIDISA-N 2 2 351.451 0.252 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699557 840004244 /nfs/dbraw/zinc/00/42/44/840004244.db2.gz CSPSFACODXNWAU-OWCLPIDISA-N 2 2 351.451 0.252 20 0 FCADLP COCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699557 840004251 /nfs/dbraw/zinc/00/42/51/840004251.db2.gz CSPSFACODXNWAU-OWCLPIDISA-N 2 2 351.451 0.252 20 0 FCADLP COCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H](OC)C1 ZINC001081699557 840004255 /nfs/dbraw/zinc/00/42/55/840004255.db2.gz CSPSFACODXNWAU-OWCLPIDISA-N 2 2 351.451 0.252 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848225 840063795 /nfs/dbraw/zinc/06/37/95/840063795.db2.gz SLCHPVDEBJOKSV-MWQQHZPXSA-N 2 2 355.479 0.090 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848225 840063806 /nfs/dbraw/zinc/06/38/06/840063806.db2.gz SLCHPVDEBJOKSV-MWQQHZPXSA-N 2 2 355.479 0.090 20 0 FCADLP CO[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848225 840063815 /nfs/dbraw/zinc/06/38/15/840063815.db2.gz SLCHPVDEBJOKSV-MWQQHZPXSA-N 2 2 355.479 0.090 20 0 FCADLP CO[C@@H]1C[NH+](CCOC2CCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848225 840063824 /nfs/dbraw/zinc/06/38/24/840063824.db2.gz SLCHPVDEBJOKSV-MWQQHZPXSA-N 2 2 355.479 0.090 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483057 844521300 /nfs/dbraw/zinc/52/13/00/844521300.db2.gz VVRSCZUALRNDFL-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483057 844521307 /nfs/dbraw/zinc/52/13/07/844521307.db2.gz VVRSCZUALRNDFL-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327053 840310962 /nfs/dbraw/zinc/31/09/62/840310962.db2.gz AIQMFPSFRRBILF-HUUCEWRRSA-N 2 2 363.487 0.786 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2scnc2C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327053 840310978 /nfs/dbraw/zinc/31/09/78/840310978.db2.gz AIQMFPSFRRBILF-HUUCEWRRSA-N 2 2 363.487 0.786 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)sn1 ZINC001082458468 840420910 /nfs/dbraw/zinc/42/09/10/840420910.db2.gz QCBPHBVTJTUODB-BNOWGMLFSA-N 2 2 354.476 0.419 20 0 FCADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)sn1 ZINC001082458468 840420916 /nfs/dbraw/zinc/42/09/16/840420916.db2.gz QCBPHBVTJTUODB-BNOWGMLFSA-N 2 2 354.476 0.419 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001082520631 840446513 /nfs/dbraw/zinc/44/65/13/840446513.db2.gz JJTLTZWGYYXGOH-AAVRWANBSA-N 2 2 351.451 0.493 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)n1 ZINC001082520631 840446521 /nfs/dbraw/zinc/44/65/21/840446521.db2.gz JJTLTZWGYYXGOH-AAVRWANBSA-N 2 2 351.451 0.493 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cnns1 ZINC001082557874 840465239 /nfs/dbraw/zinc/46/52/39/840465239.db2.gz MAUNBXAWUKVJJT-YUELXQCFSA-N 2 2 363.491 0.302 20 0 FCADLP Cc1nc([C@H](C)[N@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)no1 ZINC001102513219 844545009 /nfs/dbraw/zinc/54/50/09/844545009.db2.gz ALVWBTZWVJSWFQ-VNHYZAJKSA-N 2 2 353.467 0.701 20 0 FCADLP Cc1nc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)no1 ZINC001102513219 844545013 /nfs/dbraw/zinc/54/50/13/844545013.db2.gz ALVWBTZWVJSWFQ-VNHYZAJKSA-N 2 2 353.467 0.701 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1)[NH+](C)C ZINC001082724144 840536678 /nfs/dbraw/zinc/53/66/78/840536678.db2.gz JEXJIWKUIPVADM-UMVBOHGHSA-N 2 2 352.483 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082741057 840543417 /nfs/dbraw/zinc/54/34/17/840543417.db2.gz OAAPJCGDXXYYCH-HZSPNIEDSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082741057 840543426 /nfs/dbraw/zinc/54/34/26/840543426.db2.gz OAAPJCGDXXYYCH-HZSPNIEDSA-N 2 2 350.467 0.556 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102525365 844553114 /nfs/dbraw/zinc/55/31/14/844553114.db2.gz YQFAMCFUAAUKHI-ZIAGYGMSSA-N 2 2 352.483 0.662 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102525365 844553122 /nfs/dbraw/zinc/55/31/22/844553122.db2.gz YQFAMCFUAAUKHI-ZIAGYGMSSA-N 2 2 352.483 0.662 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102525365 844553131 /nfs/dbraw/zinc/55/31/31/844553131.db2.gz YQFAMCFUAAUKHI-ZIAGYGMSSA-N 2 2 352.483 0.662 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C ZINC001102525365 844553136 /nfs/dbraw/zinc/55/31/36/844553136.db2.gz YQFAMCFUAAUKHI-ZIAGYGMSSA-N 2 2 352.483 0.662 20 0 FCADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923491 840603506 /nfs/dbraw/zinc/60/35/06/840603506.db2.gz LUARHJHUUDGHGP-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)oc3C)C2)C1 ZINC001082934636 840614562 /nfs/dbraw/zinc/61/45/62/840614562.db2.gz SDDCIJOJQJIEFX-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)oc3C)C2)C1 ZINC001082934636 840614564 /nfs/dbraw/zinc/61/45/64/840614564.db2.gz SDDCIJOJQJIEFX-CSMYWGQOSA-N 2 2 350.463 0.949 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC001083083616 840696738 /nfs/dbraw/zinc/69/67/38/840696738.db2.gz CDRUDCAXSUBOFY-YESZJQIVSA-N 2 2 362.499 0.897 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC001083083616 840696743 /nfs/dbraw/zinc/69/67/43/840696743.db2.gz CDRUDCAXSUBOFY-YESZJQIVSA-N 2 2 362.499 0.897 20 0 FCADLP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174822 840772241 /nfs/dbraw/zinc/77/22/41/840772241.db2.gz ZXJOSRBRAZTKKI-KSZLIROESA-N 2 2 351.491 0.973 20 0 FCADLP CC(C)=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174822 840772248 /nfs/dbraw/zinc/77/22/48/840772248.db2.gz ZXJOSRBRAZTKKI-KSZLIROESA-N 2 2 351.491 0.973 20 0 FCADLP CC(C)=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174822 840772257 /nfs/dbraw/zinc/77/22/57/840772257.db2.gz ZXJOSRBRAZTKKI-KSZLIROESA-N 2 2 351.491 0.973 20 0 FCADLP CC(C)=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174822 840772262 /nfs/dbraw/zinc/77/22/62/840772262.db2.gz ZXJOSRBRAZTKKI-KSZLIROESA-N 2 2 351.491 0.973 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579644 844574709 /nfs/dbraw/zinc/57/47/09/844574709.db2.gz IAWFGRHELXWODA-CHWSQXEVSA-N 2 2 366.491 0.257 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579644 844574717 /nfs/dbraw/zinc/57/47/17/844574717.db2.gz IAWFGRHELXWODA-CHWSQXEVSA-N 2 2 366.491 0.257 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210905 840798018 /nfs/dbraw/zinc/79/80/18/840798018.db2.gz ZFDVBCDURAZGIQ-HRCADAONSA-N 2 2 350.463 0.953 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210905 840798021 /nfs/dbraw/zinc/79/80/21/840798021.db2.gz ZFDVBCDURAZGIQ-HRCADAONSA-N 2 2 350.463 0.953 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001083275965 840857878 /nfs/dbraw/zinc/85/78/78/840857878.db2.gz GIEXJRXNXOOCBG-QUAXKPEESA-N 2 2 357.882 0.619 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001083275965 840857891 /nfs/dbraw/zinc/85/78/91/840857891.db2.gz GIEXJRXNXOOCBG-QUAXKPEESA-N 2 2 357.882 0.619 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]21 ZINC001083275635 840858020 /nfs/dbraw/zinc/85/80/20/840858020.db2.gz OUBFKUFWPYTRQK-JKSUJKDBSA-N 2 2 361.471 0.802 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]21 ZINC001083275635 840858031 /nfs/dbraw/zinc/85/80/31/840858031.db2.gz OUBFKUFWPYTRQK-JKSUJKDBSA-N 2 2 361.471 0.802 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284000 840868241 /nfs/dbraw/zinc/86/82/41/840868241.db2.gz ICXNYDIKFANTRK-OWCLPIDISA-N 2 2 352.479 0.038 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284000 840868248 /nfs/dbraw/zinc/86/82/48/840868248.db2.gz ICXNYDIKFANTRK-OWCLPIDISA-N 2 2 352.479 0.038 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083473257 841047855 /nfs/dbraw/zinc/04/78/55/841047855.db2.gz RAJORCXVKLWCPB-TUVASFSCSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083473257 841047869 /nfs/dbraw/zinc/04/78/69/841047869.db2.gz RAJORCXVKLWCPB-TUVASFSCSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083473257 841047884 /nfs/dbraw/zinc/04/78/84/841047884.db2.gz RAJORCXVKLWCPB-TUVASFSCSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](O)C2)o1 ZINC001083473257 841047896 /nfs/dbraw/zinc/04/78/96/841047896.db2.gz RAJORCXVKLWCPB-TUVASFSCSA-N 2 2 350.463 0.547 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616482 844605363 /nfs/dbraw/zinc/60/53/63/844605363.db2.gz CRLMBDASRZAJHA-HUUCEWRRSA-N 2 2 350.467 0.275 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616482 844605367 /nfs/dbraw/zinc/60/53/67/844605367.db2.gz CRLMBDASRZAJHA-HUUCEWRRSA-N 2 2 350.467 0.275 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H](O)C2)s1 ZINC001083566706 841178377 /nfs/dbraw/zinc/17/83/77/841178377.db2.gz XSRJHHTUERDMJG-QPKOPYBWSA-N 2 2 368.503 0.140 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H](O)C2)s1 ZINC001083566706 841178380 /nfs/dbraw/zinc/17/83/80/841178380.db2.gz XSRJHHTUERDMJG-QPKOPYBWSA-N 2 2 368.503 0.140 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)s1 ZINC001083566706 841178383 /nfs/dbraw/zinc/17/83/83/841178383.db2.gz XSRJHHTUERDMJG-QPKOPYBWSA-N 2 2 368.503 0.140 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H](O)C2)s1 ZINC001083566706 841178387 /nfs/dbraw/zinc/17/83/87/841178387.db2.gz XSRJHHTUERDMJG-QPKOPYBWSA-N 2 2 368.503 0.140 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083574370 841189407 /nfs/dbraw/zinc/18/94/07/841189407.db2.gz UJXUFIQUJFWEPV-OAGGEKHMSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083574370 841189414 /nfs/dbraw/zinc/18/94/14/841189414.db2.gz UJXUFIQUJFWEPV-OAGGEKHMSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083574370 841189422 /nfs/dbraw/zinc/18/94/22/841189422.db2.gz UJXUFIQUJFWEPV-OAGGEKHMSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083574370 841189428 /nfs/dbraw/zinc/18/94/28/841189428.db2.gz UJXUFIQUJFWEPV-OAGGEKHMSA-N 2 2 350.463 0.691 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696148 841326576 /nfs/dbraw/zinc/32/65/76/841326576.db2.gz LNEPKWLFAIKOPS-HZSPNIEDSA-N 2 2 361.433 0.446 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)[NH+]1CCCC1 ZINC001083696148 841326584 /nfs/dbraw/zinc/32/65/84/841326584.db2.gz LNEPKWLFAIKOPS-HZSPNIEDSA-N 2 2 361.433 0.446 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727027 841369098 /nfs/dbraw/zinc/36/90/98/841369098.db2.gz HVSYTXXIQFAKBP-UGQVUOCMSA-N 2 2 369.897 0.428 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001083727027 841369106 /nfs/dbraw/zinc/36/91/06/841369106.db2.gz HVSYTXXIQFAKBP-UGQVUOCMSA-N 2 2 369.897 0.428 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001083727027 841369116 /nfs/dbraw/zinc/36/91/16/841369116.db2.gz HVSYTXXIQFAKBP-UGQVUOCMSA-N 2 2 369.897 0.428 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)CC[NH+]1C ZINC001083727027 841369128 /nfs/dbraw/zinc/36/91/28/841369128.db2.gz HVSYTXXIQFAKBP-UGQVUOCMSA-N 2 2 369.897 0.428 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)CC2 ZINC001083731914 841374329 /nfs/dbraw/zinc/37/43/29/841374329.db2.gz UAJLGMIANNSOSR-BNOWGMLFSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)CC2 ZINC001083731914 841374335 /nfs/dbraw/zinc/37/43/35/841374335.db2.gz UAJLGMIANNSOSR-BNOWGMLFSA-N 2 2 360.380 0.868 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195964 /nfs/dbraw/zinc/19/59/64/861195964.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195967 /nfs/dbraw/zinc/19/59/67/861195967.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195971 /nfs/dbraw/zinc/19/59/71/861195971.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195972 /nfs/dbraw/zinc/19/59/72/861195972.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195976 /nfs/dbraw/zinc/19/59/76/861195976.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001275800419 861195978 /nfs/dbraw/zinc/19/59/78/861195978.db2.gz CYQHNJZXVQMLTP-IEBWSBKVSA-N 2 2 352.523 0.319 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)o1 ZINC001083778435 841423709 /nfs/dbraw/zinc/42/37/09/841423709.db2.gz MRKAIQHQBSWQDT-YUELXQCFSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)[C@@H](O)C2)o1 ZINC001083778435 841423711 /nfs/dbraw/zinc/42/37/11/841423711.db2.gz MRKAIQHQBSWQDT-YUELXQCFSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)[C@@H](O)C2)o1 ZINC001083778435 841423714 /nfs/dbraw/zinc/42/37/14/841423714.db2.gz MRKAIQHQBSWQDT-YUELXQCFSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)[C@@H](O)C2)o1 ZINC001083778435 841423717 /nfs/dbraw/zinc/42/37/17/841423717.db2.gz MRKAIQHQBSWQDT-YUELXQCFSA-N 2 2 350.463 0.691 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083783203 841434767 /nfs/dbraw/zinc/43/47/67/841434767.db2.gz FPSFSPVZYMQVTH-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083783203 841434772 /nfs/dbraw/zinc/43/47/72/841434772.db2.gz FPSFSPVZYMQVTH-WQVCFCJDSA-N 2 2 352.435 0.080 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053914 841666811 /nfs/dbraw/zinc/66/68/11/841666811.db2.gz PHBYHLCBSBOPPI-KFWWJZLASA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053914 841666813 /nfs/dbraw/zinc/66/68/13/841666813.db2.gz PHBYHLCBSBOPPI-KFWWJZLASA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053914 841666818 /nfs/dbraw/zinc/66/68/18/841666818.db2.gz PHBYHLCBSBOPPI-KFWWJZLASA-N 2 2 367.877 0.962 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)c1Cl ZINC001084053914 841666824 /nfs/dbraw/zinc/66/68/24/841666824.db2.gz PHBYHLCBSBOPPI-KFWWJZLASA-N 2 2 367.877 0.962 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084057351 841671019 /nfs/dbraw/zinc/67/10/19/841671019.db2.gz HBVAQBPPHAQRNV-UPJWGTAASA-N 2 2 350.290 0.827 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084057351 841671029 /nfs/dbraw/zinc/67/10/29/841671029.db2.gz HBVAQBPPHAQRNV-UPJWGTAASA-N 2 2 350.290 0.827 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084059755 841672362 /nfs/dbraw/zinc/67/23/62/841672362.db2.gz XKQKQATZASFGAE-UPJWGTAASA-N 2 2 361.273 0.937 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@@H]1O ZINC001084059755 841672377 /nfs/dbraw/zinc/67/23/77/841672377.db2.gz XKQKQATZASFGAE-UPJWGTAASA-N 2 2 361.273 0.937 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001084058321 841673112 /nfs/dbraw/zinc/67/31/12/841673112.db2.gz UXIRLBWUDXYCRZ-SJORKVTESA-N 2 2 367.877 0.976 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1O ZINC001084058321 841673113 /nfs/dbraw/zinc/67/31/13/841673113.db2.gz UXIRLBWUDXYCRZ-SJORKVTESA-N 2 2 367.877 0.976 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O ZINC001084091571 841699835 /nfs/dbraw/zinc/69/98/35/841699835.db2.gz DRLUCAXEUWZUJL-OAGGEKHMSA-N 2 2 352.504 0.721 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001084091571 841699813 /nfs/dbraw/zinc/69/98/13/841699813.db2.gz DRLUCAXEUWZUJL-OAGGEKHMSA-N 2 2 352.504 0.721 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCc2ccns2)C[C@@H]1O ZINC001084091571 841699823 /nfs/dbraw/zinc/69/98/23/841699823.db2.gz DRLUCAXEUWZUJL-OAGGEKHMSA-N 2 2 352.504 0.721 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O ZINC001084091571 841699844 /nfs/dbraw/zinc/69/98/44/841699844.db2.gz DRLUCAXEUWZUJL-OAGGEKHMSA-N 2 2 352.504 0.721 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001084091911 841700946 /nfs/dbraw/zinc/70/09/46/841700946.db2.gz WGJQASRJUZWXEB-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2scnc2C)C[C@@H]1O ZINC001084091911 841700948 /nfs/dbraw/zinc/70/09/48/841700948.db2.gz WGJQASRJUZWXEB-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1O ZINC001084091911 841700958 /nfs/dbraw/zinc/70/09/58/841700958.db2.gz WGJQASRJUZWXEB-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1O ZINC001084091911 841700969 /nfs/dbraw/zinc/70/09/69/841700969.db2.gz WGJQASRJUZWXEB-ILXRZTDVSA-N 2 2 352.504 0.987 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084667479 841878400 /nfs/dbraw/zinc/87/84/00/841878400.db2.gz GZTNDSNGWOZEKX-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21)[NH+](C)C ZINC001084667479 841878411 /nfs/dbraw/zinc/87/84/11/841878411.db2.gz GZTNDSNGWOZEKX-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001084667808 841878521 /nfs/dbraw/zinc/87/85/21/841878521.db2.gz ZCDMLXVAXAJNCE-IXDOHACOSA-N 2 2 371.547 0.684 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[NH+](C)C ZINC001084667808 841878535 /nfs/dbraw/zinc/87/85/35/841878535.db2.gz ZCDMLXVAXAJNCE-IXDOHACOSA-N 2 2 371.547 0.684 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084831259 841924137 /nfs/dbraw/zinc/92/41/37/841924137.db2.gz FBMUOGUKVHIBEY-IAGOWNOFSA-N 2 2 369.531 0.440 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084831259 841924143 /nfs/dbraw/zinc/92/41/43/841924143.db2.gz FBMUOGUKVHIBEY-IAGOWNOFSA-N 2 2 369.531 0.440 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001085345590 842080968 /nfs/dbraw/zinc/08/09/68/842080968.db2.gz GDRVDJOUMUATQG-BPLDGKMQSA-N 2 2 354.476 0.404 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085429441 842103787 /nfs/dbraw/zinc/10/37/87/842103787.db2.gz RWOYXPGWSTVSDH-OAGGEKHMSA-N 2 2 350.467 0.053 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)C1 ZINC001085429441 842103800 /nfs/dbraw/zinc/10/38/00/842103800.db2.gz RWOYXPGWSTVSDH-OAGGEKHMSA-N 2 2 350.467 0.053 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001085605903 842107738 /nfs/dbraw/zinc/10/77/38/842107738.db2.gz XFCUKLNBARFAFA-HYVNUMGLSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC2CCS(=O)(=O)CC2)CC[N@H+]1C ZINC001085605903 842107742 /nfs/dbraw/zinc/10/77/42/842107742.db2.gz XFCUKLNBARFAFA-HYVNUMGLSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001085605903 842107744 /nfs/dbraw/zinc/10/77/44/842107744.db2.gz XFCUKLNBARFAFA-HYVNUMGLSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCS(=O)(=O)CC2)CC[NH+]1C ZINC001085605903 842107746 /nfs/dbraw/zinc/10/77/46/842107746.db2.gz XFCUKLNBARFAFA-HYVNUMGLSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001085671267 842112056 /nfs/dbraw/zinc/11/20/56/842112056.db2.gz SEWYONSQIXEVPH-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCn2cc(Cl)cn2)O1 ZINC001085671267 842112063 /nfs/dbraw/zinc/11/20/63/842112063.db2.gz SEWYONSQIXEVPH-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCn2cc(Cl)cn2)O1 ZINC001085671267 842112070 /nfs/dbraw/zinc/11/20/70/842112070.db2.gz SEWYONSQIXEVPH-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCn2cc(Cl)cn2)O1 ZINC001085671267 842112073 /nfs/dbraw/zinc/11/20/73/842112073.db2.gz SEWYONSQIXEVPH-VNQPRFMTSA-N 2 2 369.897 0.788 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001086156971 842124331 /nfs/dbraw/zinc/12/43/31/842124331.db2.gz YZXAMEZMSQLSMS-XDNAFOTISA-N 2 2 351.491 0.761 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001086879854 842190002 /nfs/dbraw/zinc/19/00/02/842190002.db2.gz BVARNZZUFUXTSM-GZBFAFLISA-N 2 2 353.492 0.633 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001086879854 842190005 /nfs/dbraw/zinc/19/00/05/842190005.db2.gz BVARNZZUFUXTSM-GZBFAFLISA-N 2 2 353.492 0.633 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC001086880658 842190660 /nfs/dbraw/zinc/19/06/60/842190660.db2.gz JHRWHFWBAYPHJN-GZBFAFLISA-N 2 2 353.492 0.633 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC001086880658 842190663 /nfs/dbraw/zinc/19/06/63/842190663.db2.gz JHRWHFWBAYPHJN-GZBFAFLISA-N 2 2 353.492 0.633 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccnc(F)c1)C2 ZINC001275986270 861283027 /nfs/dbraw/zinc/28/30/27/861283027.db2.gz KGNFMSINOLHTNW-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccnc(F)c1)C2 ZINC001275986270 861283039 /nfs/dbraw/zinc/28/30/39/861283039.db2.gz KGNFMSINOLHTNW-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C[NH2+]Cc2nncs2)C1 ZINC001087226450 842321242 /nfs/dbraw/zinc/32/12/42/842321242.db2.gz VAZHJKBJHDBVJK-CABCVRRESA-N 2 2 367.519 0.977 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nncs2)C1 ZINC001087247980 842325275 /nfs/dbraw/zinc/32/52/75/842325275.db2.gz JROMMOHBDNYJNJ-QLFBSQMISA-N 2 2 367.519 0.976 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nncs2)C1 ZINC001087247980 842325287 /nfs/dbraw/zinc/32/52/87/842325287.db2.gz JROMMOHBDNYJNJ-QLFBSQMISA-N 2 2 367.519 0.976 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001089074128 842766393 /nfs/dbraw/zinc/76/63/93/842766393.db2.gz DXIDWRUNOPGDBA-ILXRZTDVSA-N 2 2 354.476 0.287 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001089074128 842766400 /nfs/dbraw/zinc/76/64/00/842766400.db2.gz DXIDWRUNOPGDBA-ILXRZTDVSA-N 2 2 354.476 0.287 20 0 FCADLP C[NH+]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+](C)C3)C1 ZINC001276214535 861355985 /nfs/dbraw/zinc/35/59/85/861355985.db2.gz XHPOOWWEMYBPEU-ILXRZTDVSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+](C)C3)C1 ZINC001276214535 861356003 /nfs/dbraw/zinc/35/60/03/861356003.db2.gz XHPOOWWEMYBPEU-ILXRZTDVSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214535 861356021 /nfs/dbraw/zinc/35/60/21/861356021.db2.gz XHPOOWWEMYBPEU-ILXRZTDVSA-N 2 2 352.479 0.700 20 0 FCADLP C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)OC(C)(C)C)C2 ZINC001276214535 861356037 /nfs/dbraw/zinc/35/60/37/861356037.db2.gz XHPOOWWEMYBPEU-ILXRZTDVSA-N 2 2 352.479 0.700 20 0 FCADLP CCn1ncnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096514 842960885 /nfs/dbraw/zinc/96/08/85/842960885.db2.gz WMZJVCAWRZDPLZ-XSCHDIRWSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncnc1C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096514 842960895 /nfs/dbraw/zinc/96/08/95/842960895.db2.gz WMZJVCAWRZDPLZ-XSCHDIRWSA-N 2 2 350.467 0.002 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCO)C[C@@]2(C)C1 ZINC001091881312 843118696 /nfs/dbraw/zinc/11/86/96/843118696.db2.gz AKVOJCWDHPDRNR-LMMKCTJWSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCCO)C[C@@]2(C)C1 ZINC001091881312 843118699 /nfs/dbraw/zinc/11/86/99/843118699.db2.gz AKVOJCWDHPDRNR-LMMKCTJWSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001091881312 843118702 /nfs/dbraw/zinc/11/87/02/843118702.db2.gz AKVOJCWDHPDRNR-LMMKCTJWSA-N 2 2 353.507 0.650 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001091881312 843118706 /nfs/dbraw/zinc/11/87/06/843118706.db2.gz AKVOJCWDHPDRNR-LMMKCTJWSA-N 2 2 353.507 0.650 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001092319298 843186558 /nfs/dbraw/zinc/18/65/58/843186558.db2.gz OIZICACCVFUEEG-UXLLHSPISA-N 2 2 366.487 0.098 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001092319298 843186567 /nfs/dbraw/zinc/18/65/67/843186567.db2.gz OIZICACCVFUEEG-UXLLHSPISA-N 2 2 366.487 0.098 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)oc1C ZINC001093689900 843455569 /nfs/dbraw/zinc/45/55/69/843455569.db2.gz ACQGSFFRMFJATC-WQVCFCJDSA-N 2 2 350.463 0.806 20 0 FCADLP Cc1nc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)oc1C ZINC001093689900 843455576 /nfs/dbraw/zinc/45/55/76/843455576.db2.gz ACQGSFFRMFJATC-WQVCFCJDSA-N 2 2 350.463 0.806 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl ZINC001093691503 843456440 /nfs/dbraw/zinc/45/64/40/843456440.db2.gz ZFBZNZBIUWYARZ-IOASZLSFSA-N 2 2 369.897 0.588 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nn(C)cc1Cl ZINC001093691503 843456444 /nfs/dbraw/zinc/45/64/44/843456444.db2.gz ZFBZNZBIUWYARZ-IOASZLSFSA-N 2 2 369.897 0.588 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001093993591 843500723 /nfs/dbraw/zinc/50/07/23/843500723.db2.gz OEJXBWCUBMDLDR-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3csnn3)[C@H](C)C2)C1 ZINC001093993591 843500727 /nfs/dbraw/zinc/50/07/27/843500727.db2.gz OEJXBWCUBMDLDR-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]Cc2cnsn2)[C@H](C)C1 ZINC001094224602 843532556 /nfs/dbraw/zinc/53/25/56/843532556.db2.gz TUQOARVWMCCCSK-QLFBSQMISA-N 2 2 367.519 0.691 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001096548473 843799729 /nfs/dbraw/zinc/79/97/29/843799729.db2.gz DVRWDOOJPCFDGU-WCVJEAGWSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001096548473 843799733 /nfs/dbraw/zinc/79/97/33/843799733.db2.gz DVRWDOOJPCFDGU-WCVJEAGWSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001096548472 843801303 /nfs/dbraw/zinc/80/13/03/843801303.db2.gz DVRWDOOJPCFDGU-FZKCQIBNSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001096548472 843801318 /nfs/dbraw/zinc/80/13/18/843801318.db2.gz DVRWDOOJPCFDGU-FZKCQIBNSA-N 2 2 366.487 0.348 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001096887657 843829269 /nfs/dbraw/zinc/82/92/69/843829269.db2.gz PJNZQMNQBOFWOK-NCOADZHNSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCS(=O)(=O)CC1 ZINC001096887657 843829279 /nfs/dbraw/zinc/82/92/79/843829279.db2.gz PJNZQMNQBOFWOK-NCOADZHNSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001096887657 843829284 /nfs/dbraw/zinc/82/92/84/843829284.db2.gz PJNZQMNQBOFWOK-NCOADZHNSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001096887657 843829296 /nfs/dbraw/zinc/82/92/96/843829296.db2.gz PJNZQMNQBOFWOK-NCOADZHNSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001096914368 843831441 /nfs/dbraw/zinc/83/14/41/843831441.db2.gz QTCHAEWLPJSMKL-OJLVUWQFSA-N 2 2 350.488 0.738 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCc2ccns2)C1 ZINC001096914368 843831450 /nfs/dbraw/zinc/83/14/50/843831450.db2.gz QTCHAEWLPJSMKL-OJLVUWQFSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCc2ccns2)C1 ZINC001096914368 843831459 /nfs/dbraw/zinc/83/14/59/843831459.db2.gz QTCHAEWLPJSMKL-OJLVUWQFSA-N 2 2 350.488 0.738 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCc2ccns2)C1 ZINC001096914368 843831468 /nfs/dbraw/zinc/83/14/68/843831468.db2.gz QTCHAEWLPJSMKL-OJLVUWQFSA-N 2 2 350.488 0.738 20 0 FCADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097852167 843888172 /nfs/dbraw/zinc/88/81/72/843888172.db2.gz XUQXZDSEUPOUBX-ZXTQRBJTSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097852167 843888182 /nfs/dbraw/zinc/88/81/82/843888182.db2.gz XUQXZDSEUPOUBX-ZXTQRBJTSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097852167 843888190 /nfs/dbraw/zinc/88/81/90/843888190.db2.gz XUQXZDSEUPOUBX-ZXTQRBJTSA-N 2 2 354.470 0.666 20 0 FCADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097852167 843888203 /nfs/dbraw/zinc/88/82/03/843888203.db2.gz XUQXZDSEUPOUBX-ZXTQRBJTSA-N 2 2 354.470 0.666 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3nncs3)CC2)CC[N@@H+]1C ZINC001098371778 843911750 /nfs/dbraw/zinc/91/17/50/843911750.db2.gz GPCYXXXMEWVAFO-UKRRQHHQSA-N 2 2 367.519 0.664 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)Cc3nncs3)CC2)CC[N@H+]1C ZINC001098371778 843911754 /nfs/dbraw/zinc/91/17/54/843911754.db2.gz GPCYXXXMEWVAFO-UKRRQHHQSA-N 2 2 367.519 0.664 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](CCO)Cc3nncs3)CC2)CC[NH+]1C ZINC001098371778 843911764 /nfs/dbraw/zinc/91/17/64/843911764.db2.gz GPCYXXXMEWVAFO-UKRRQHHQSA-N 2 2 367.519 0.664 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](CCO)Cc3nncs3)CC2)CC[NH+]1C ZINC001098371778 843911766 /nfs/dbraw/zinc/91/17/66/843911766.db2.gz GPCYXXXMEWVAFO-UKRRQHHQSA-N 2 2 367.519 0.664 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC001099263390 843995788 /nfs/dbraw/zinc/99/57/88/843995788.db2.gz RJBBJTPLMDQISK-JHJVBQTASA-N 2 2 365.375 0.762 20 0 FCADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099279319 844002568 /nfs/dbraw/zinc/00/25/68/844002568.db2.gz DEMFEMVPKRRSFP-IJLUTSLNSA-N 2 2 361.368 0.434 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136619 844706021 /nfs/dbraw/zinc/70/60/21/844706021.db2.gz LABVVYKIKKSDMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1CCNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001103136619 844706024 /nfs/dbraw/zinc/70/60/24/844706024.db2.gz LABVVYKIKKSDMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnsn2)C[C@H]1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001103136619 844706030 /nfs/dbraw/zinc/70/60/30/844706030.db2.gz LABVVYKIKKSDMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[NH+](Cc2cnsn2)C[C@H]1CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001103136619 844706032 /nfs/dbraw/zinc/70/60/32/844706032.db2.gz LABVVYKIKKSDMD-IXYNUQLISA-N 2 2 367.519 0.831 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609154 861495809 /nfs/dbraw/zinc/49/58/09/861495809.db2.gz HMPSEODRDKHDFI-GOSISDBHSA-N 2 2 352.479 0.304 20 0 FCADLP CNC(=O)C(C)(C)N1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276609154 861495811 /nfs/dbraw/zinc/49/58/11/861495811.db2.gz HMPSEODRDKHDFI-GOSISDBHSA-N 2 2 352.479 0.304 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574165 844782914 /nfs/dbraw/zinc/78/29/14/844782914.db2.gz CNIWBVPQIYAYNN-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574165 844782920 /nfs/dbraw/zinc/78/29/20/844782920.db2.gz CNIWBVPQIYAYNN-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001276609636 861497362 /nfs/dbraw/zinc/49/73/62/861497362.db2.gz LBEVRAFQOWCCHQ-KBXCAEBGSA-N 2 2 350.463 0.058 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CC(=O)N(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001276609636 861497367 /nfs/dbraw/zinc/49/73/67/861497367.db2.gz LBEVRAFQOWCCHQ-KBXCAEBGSA-N 2 2 350.463 0.058 20 0 FCADLP CCN(CC)C(=O)CN1C[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276611311 861498538 /nfs/dbraw/zinc/49/85/38/861498538.db2.gz UDKMYNOSCRWOQO-SFHVURJKSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)CN1C[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276611311 861498553 /nfs/dbraw/zinc/49/85/53/861498553.db2.gz UDKMYNOSCRWOQO-SFHVURJKSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688226 844801714 /nfs/dbraw/zinc/80/17/14/844801714.db2.gz QQELXCXVHYRGOW-HZPDHXFCSA-N 2 2 352.479 0.436 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688226 844801717 /nfs/dbraw/zinc/80/17/17/844801717.db2.gz QQELXCXVHYRGOW-HZPDHXFCSA-N 2 2 352.479 0.436 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103774662 844820942 /nfs/dbraw/zinc/82/09/42/844820942.db2.gz LMUIEPLTMBUXFY-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103774662 844820948 /nfs/dbraw/zinc/82/09/48/844820948.db2.gz LMUIEPLTMBUXFY-HZPDHXFCSA-N 2 2 370.519 0.782 20 0 FCADLP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)o1 ZINC001104034069 844856420 /nfs/dbraw/zinc/85/64/20/844856420.db2.gz RETBZUPHMONMQM-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)o1 ZINC001104034069 844856426 /nfs/dbraw/zinc/85/64/26/844856426.db2.gz RETBZUPHMONMQM-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001104034236 844857211 /nfs/dbraw/zinc/85/72/11/844857211.db2.gz ZNWFZZQBYLAPJZ-YUELXQCFSA-N 2 2 350.467 0.018 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001104034236 844857218 /nfs/dbraw/zinc/85/72/18/844857218.db2.gz ZNWFZZQBYLAPJZ-YUELXQCFSA-N 2 2 350.467 0.018 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104776046 844940681 /nfs/dbraw/zinc/94/06/81/844940681.db2.gz WFNREGRIUXVJPE-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104776046 844940688 /nfs/dbraw/zinc/94/06/88/844940688.db2.gz WFNREGRIUXVJPE-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+]CCOCCO ZINC001104967199 844963548 /nfs/dbraw/zinc/96/35/48/844963548.db2.gz NAGVUJFIFFCWJA-HZPDHXFCSA-N 2 2 352.479 0.436 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673518 845017185 /nfs/dbraw/zinc/01/71/85/845017185.db2.gz MIMVJUWMCDUCLL-LMSBXDPUSA-N 2 2 350.463 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106225711 845139923 /nfs/dbraw/zinc/13/99/23/845139923.db2.gz CNTXEUUXPFEQJE-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCS(C)(=O)=O ZINC001106225711 845139930 /nfs/dbraw/zinc/13/99/30/845139930.db2.gz CNTXEUUXPFEQJE-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705212 845229447 /nfs/dbraw/zinc/22/94/47/845229447.db2.gz WZXLJJKAEJJKIU-TZMCWYRMSA-N 2 2 363.487 0.868 20 0 FCADLP Cc1csc(=O)n1CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800968 845256854 /nfs/dbraw/zinc/25/68/54/845256854.db2.gz QPIBTIJRDRRKOR-TZMCWYRMSA-N 2 2 363.487 0.868 20 0 FCADLP C[C@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)CS(C)(=O)=O ZINC001106876969 845276525 /nfs/dbraw/zinc/27/65/25/845276525.db2.gz HBKGENJQVSYDGX-RBSFLKMASA-N 2 2 370.519 0.327 20 0 FCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011491 845309451 /nfs/dbraw/zinc/30/94/51/845309451.db2.gz DITXMMAQUQUQGU-KBAYOESNSA-N 2 2 353.507 0.818 20 0 FCADLP CCS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078772 845326926 /nfs/dbraw/zinc/32/69/26/845326926.db2.gz MUQSCABXZUSPOZ-HUUCEWRRSA-N 2 2 356.492 0.392 20 0 FCADLP COCCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952510 845419137 /nfs/dbraw/zinc/41/91/37/845419137.db2.gz FAVBXYTXTKZZIA-NUJGCVRESA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952510 845419141 /nfs/dbraw/zinc/41/91/41/845419141.db2.gz FAVBXYTXTKZZIA-NUJGCVRESA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107952510 845419144 /nfs/dbraw/zinc/41/91/44/845419144.db2.gz FAVBXYTXTKZZIA-NUJGCVRESA-N 2 2 357.495 0.197 20 0 FCADLP COCCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952510 845419149 /nfs/dbraw/zinc/41/91/49/845419149.db2.gz FAVBXYTXTKZZIA-NUJGCVRESA-N 2 2 357.495 0.197 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@@H+]1C ZINC001109307422 845619388 /nfs/dbraw/zinc/61/93/88/845619388.db2.gz KHPUMDOFVRGERZ-HMDCTGQHSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(C)(=O)=O)CC[N@H+]1C ZINC001109307422 845619394 /nfs/dbraw/zinc/61/93/94/845619394.db2.gz KHPUMDOFVRGERZ-HMDCTGQHSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001109307422 845619402 /nfs/dbraw/zinc/61/94/02/845619402.db2.gz KHPUMDOFVRGERZ-HMDCTGQHSA-N 2 2 371.547 0.873 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC[NH+]1C ZINC001109307422 845619407 /nfs/dbraw/zinc/61/94/07/845619407.db2.gz KHPUMDOFVRGERZ-HMDCTGQHSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001109363476 845631892 /nfs/dbraw/zinc/63/18/92/845631892.db2.gz WUNXLJGMPHRWHJ-UGUYLWEFSA-N 2 2 354.470 0.620 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001109363476 845631900 /nfs/dbraw/zinc/63/19/00/845631900.db2.gz WUNXLJGMPHRWHJ-UGUYLWEFSA-N 2 2 354.470 0.620 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCO)c[nH+]1 ZINC001109440523 845653677 /nfs/dbraw/zinc/65/36/77/845653677.db2.gz YSGJRRWSUSJMKA-PMPSAXMXSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)c[nH+]1 ZINC001109440523 845653683 /nfs/dbraw/zinc/65/36/83/845653683.db2.gz YSGJRRWSUSJMKA-PMPSAXMXSA-N 2 2 350.463 0.657 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)O1 ZINC001109442668 845654929 /nfs/dbraw/zinc/65/49/29/845654929.db2.gz ANCADDRTRXDUDB-NIFZNCRKSA-N 2 2 361.433 0.709 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC(F)F)O1 ZINC001109442668 845654935 /nfs/dbraw/zinc/65/49/35/845654935.db2.gz ANCADDRTRXDUDB-NIFZNCRKSA-N 2 2 361.433 0.709 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC(F)F)O1 ZINC001109442668 845654941 /nfs/dbraw/zinc/65/49/41/845654941.db2.gz ANCADDRTRXDUDB-NIFZNCRKSA-N 2 2 361.433 0.709 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC(F)F)O1 ZINC001109442668 845654944 /nfs/dbraw/zinc/65/49/44/845654944.db2.gz ANCADDRTRXDUDB-NIFZNCRKSA-N 2 2 361.433 0.709 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001109685947 845712875 /nfs/dbraw/zinc/71/28/75/845712875.db2.gz MWRKVRACJVSQAM-MUQADHOPSA-N 2 2 350.507 0.820 20 0 FCADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1)[NH+](C)C ZINC001109685947 845712879 /nfs/dbraw/zinc/71/28/79/845712879.db2.gz MWRKVRACJVSQAM-MUQADHOPSA-N 2 2 350.507 0.820 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109868111 845751004 /nfs/dbraw/zinc/75/10/04/845751004.db2.gz BNVKWQWAONWZSR-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109868111 845751013 /nfs/dbraw/zinc/75/10/13/845751013.db2.gz BNVKWQWAONWZSR-ORQFMDKSSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001110016434 845776666 /nfs/dbraw/zinc/77/66/66/845776666.db2.gz OCWPIZMOSHASGT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCCOCC ZINC001110016434 845776669 /nfs/dbraw/zinc/77/66/69/845776669.db2.gz OCWPIZMOSHASGT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOCC ZINC001110016434 845776674 /nfs/dbraw/zinc/77/66/74/845776674.db2.gz OCWPIZMOSHASGT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOCC ZINC001110016434 845776678 /nfs/dbraw/zinc/77/66/78/845776678.db2.gz OCWPIZMOSHASGT-PMPSAXMXSA-N 2 2 354.495 0.202 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001110021354 845779090 /nfs/dbraw/zinc/77/90/90/845779090.db2.gz ADGOLTVCPGTZOX-WCVJEAGWSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001110021354 845779092 /nfs/dbraw/zinc/77/90/92/845779092.db2.gz ADGOLTVCPGTZOX-WCVJEAGWSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110021354 845779098 /nfs/dbraw/zinc/77/90/98/845779098.db2.gz ADGOLTVCPGTZOX-WCVJEAGWSA-N 2 2 359.536 0.730 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110021354 845779100 /nfs/dbraw/zinc/77/91/00/845779100.db2.gz ADGOLTVCPGTZOX-WCVJEAGWSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794902 861611039 /nfs/dbraw/zinc/61/10/39/861611039.db2.gz CMHYWKACNBQPND-APWZRJJASA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001276794902 861611047 /nfs/dbraw/zinc/61/10/47/861611047.db2.gz CMHYWKACNBQPND-APWZRJJASA-N 2 2 355.523 0.942 20 0 FCADLP COCCCN1C[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276796061 861613505 /nfs/dbraw/zinc/61/35/05/861613505.db2.gz VDPZRUSDIVZLEF-QAPCUYQASA-N 2 2 357.495 0.075 20 0 FCADLP COCCCN1C[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276796061 861613509 /nfs/dbraw/zinc/61/35/09/861613509.db2.gz VDPZRUSDIVZLEF-QAPCUYQASA-N 2 2 357.495 0.075 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576720 845922143 /nfs/dbraw/zinc/92/21/43/845922143.db2.gz XXOUAYYZQHQSQO-HHARLNAUSA-N 2 2 371.547 0.873 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576720 845922150 /nfs/dbraw/zinc/92/21/50/845922150.db2.gz XXOUAYYZQHQSQO-HHARLNAUSA-N 2 2 371.547 0.873 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110576720 845922153 /nfs/dbraw/zinc/92/21/53/845922153.db2.gz XXOUAYYZQHQSQO-HHARLNAUSA-N 2 2 371.547 0.873 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576720 845922164 /nfs/dbraw/zinc/92/21/64/845922164.db2.gz XXOUAYYZQHQSQO-HHARLNAUSA-N 2 2 371.547 0.873 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110616946 845930637 /nfs/dbraw/zinc/93/06/37/845930637.db2.gz WUNXLJGMPHRWHJ-FPCVCCKLSA-N 2 2 354.470 0.620 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110616946 845930646 /nfs/dbraw/zinc/93/06/46/845930646.db2.gz WUNXLJGMPHRWHJ-FPCVCCKLSA-N 2 2 354.470 0.620 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)C ZINC001110618456 845931846 /nfs/dbraw/zinc/93/18/46/845931846.db2.gz STPQBZKEGQOCEH-FPCVCCKLSA-N 2 2 356.486 0.912 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)C ZINC001110618456 845931850 /nfs/dbraw/zinc/93/18/50/845931850.db2.gz STPQBZKEGQOCEH-FPCVCCKLSA-N 2 2 356.486 0.912 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001110885999 845991840 /nfs/dbraw/zinc/99/18/40/845991840.db2.gz HPERWPZTUHWEAD-KFWWJZLASA-N 2 2 372.535 0.132 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001110885999 845991843 /nfs/dbraw/zinc/99/18/43/845991843.db2.gz HPERWPZTUHWEAD-KFWWJZLASA-N 2 2 372.535 0.132 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954127 845999852 /nfs/dbraw/zinc/99/98/52/845999852.db2.gz KIIWTHRBVGDLKD-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954127 845999862 /nfs/dbraw/zinc/99/98/62/845999862.db2.gz KIIWTHRBVGDLKD-OAGGEKHMSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001110961601 846001648 /nfs/dbraw/zinc/00/16/48/846001648.db2.gz AUNZSBFZWGSHJU-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2)C1CC1 ZINC001110961601 846001653 /nfs/dbraw/zinc/00/16/53/846001653.db2.gz AUNZSBFZWGSHJU-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CC1 ZINC001110977008 846007112 /nfs/dbraw/zinc/00/71/12/846007112.db2.gz ZHVSLTYHRSTGOG-OAGGEKHMSA-N 2 2 357.520 0.484 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CC1 ZINC001110977008 846007120 /nfs/dbraw/zinc/00/71/20/846007120.db2.gz ZHVSLTYHRSTGOG-OAGGEKHMSA-N 2 2 357.520 0.484 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979026 846007468 /nfs/dbraw/zinc/00/74/68/846007468.db2.gz NTDRCQPMEHGQKR-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979026 846007470 /nfs/dbraw/zinc/00/74/70/846007470.db2.gz NTDRCQPMEHGQKR-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021415 846017305 /nfs/dbraw/zinc/01/73/05/846017305.db2.gz SWHPROGMDPCCGB-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111021415 846017310 /nfs/dbraw/zinc/01/73/10/846017310.db2.gz SWHPROGMDPCCGB-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021415 846017316 /nfs/dbraw/zinc/01/73/16/846017316.db2.gz SWHPROGMDPCCGB-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111021415 846017320 /nfs/dbraw/zinc/01/73/20/846017320.db2.gz SWHPROGMDPCCGB-VQHPVUNQSA-N 2 2 350.507 0.917 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111171796 846053642 /nfs/dbraw/zinc/05/36/42/846053642.db2.gz UHUOEHQXARTHMT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001111171796 846053651 /nfs/dbraw/zinc/05/36/51/846053651.db2.gz UHUOEHQXARTHMT-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274685 846075470 /nfs/dbraw/zinc/07/54/70/846075470.db2.gz IXOPSCPTRGNLCL-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274685 846075479 /nfs/dbraw/zinc/07/54/79/846075479.db2.gz IXOPSCPTRGNLCL-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274685 846075488 /nfs/dbraw/zinc/07/54/88/846075488.db2.gz IXOPSCPTRGNLCL-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274685 846075494 /nfs/dbraw/zinc/07/54/94/846075494.db2.gz IXOPSCPTRGNLCL-VQHPVUNQSA-N 2 2 350.507 0.822 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111308844 846081624 /nfs/dbraw/zinc/08/16/24/846081624.db2.gz ADHOHAXUFBDLEO-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111308844 846081633 /nfs/dbraw/zinc/08/16/33/846081633.db2.gz ADHOHAXUFBDLEO-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111308844 846081639 /nfs/dbraw/zinc/08/16/39/846081639.db2.gz ADHOHAXUFBDLEO-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001111308844 846081644 /nfs/dbraw/zinc/08/16/44/846081644.db2.gz ADHOHAXUFBDLEO-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406829 846098358 /nfs/dbraw/zinc/09/83/58/846098358.db2.gz BRNVJEBRPXROFM-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406829 846098362 /nfs/dbraw/zinc/09/83/62/846098362.db2.gz BRNVJEBRPXROFM-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111406829 846098367 /nfs/dbraw/zinc/09/83/67/846098367.db2.gz BRNVJEBRPXROFM-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111406829 846098371 /nfs/dbraw/zinc/09/83/71/846098371.db2.gz BRNVJEBRPXROFM-JJXSEGSLSA-N 2 2 350.507 0.964 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407045 846099565 /nfs/dbraw/zinc/09/95/65/846099565.db2.gz LLCMVQQGZRBSMC-FPCVCCKLSA-N 2 2 350.507 0.822 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407045 846099573 /nfs/dbraw/zinc/09/95/73/846099573.db2.gz LLCMVQQGZRBSMC-FPCVCCKLSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407045 846099580 /nfs/dbraw/zinc/09/95/80/846099580.db2.gz LLCMVQQGZRBSMC-FPCVCCKLSA-N 2 2 350.507 0.822 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001111407045 846099589 /nfs/dbraw/zinc/09/95/89/846099589.db2.gz LLCMVQQGZRBSMC-FPCVCCKLSA-N 2 2 350.507 0.822 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773593 846199543 /nfs/dbraw/zinc/19/95/43/846199543.db2.gz FCNSILQLDYYERR-YJBOKZPZSA-N 2 2 350.463 0.976 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773593 846199546 /nfs/dbraw/zinc/19/95/46/846199546.db2.gz FCNSILQLDYYERR-YJBOKZPZSA-N 2 2 350.463 0.976 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773593 846199551 /nfs/dbraw/zinc/19/95/51/846199551.db2.gz FCNSILQLDYYERR-YJBOKZPZSA-N 2 2 350.463 0.976 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773593 846199554 /nfs/dbraw/zinc/19/95/54/846199554.db2.gz FCNSILQLDYYERR-YJBOKZPZSA-N 2 2 350.463 0.976 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111807851 846218485 /nfs/dbraw/zinc/21/84/85/846218485.db2.gz IYROGEWHMPVSDR-RDJZCZTQSA-N 2 2 368.503 0.597 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111807851 846218497 /nfs/dbraw/zinc/21/84/97/846218497.db2.gz IYROGEWHMPVSDR-RDJZCZTQSA-N 2 2 368.503 0.597 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111836197 846228391 /nfs/dbraw/zinc/22/83/91/846228391.db2.gz SCOWANSZSNSTCE-BXWFABGCSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111836197 846228400 /nfs/dbraw/zinc/22/84/00/846228400.db2.gz SCOWANSZSNSTCE-BXWFABGCSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111836197 846228410 /nfs/dbraw/zinc/22/84/10/846228410.db2.gz SCOWANSZSNSTCE-BXWFABGCSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111836197 846228418 /nfs/dbraw/zinc/22/84/18/846228418.db2.gz SCOWANSZSNSTCE-BXWFABGCSA-N 2 2 350.507 0.966 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984952 846282416 /nfs/dbraw/zinc/28/24/16/846282416.db2.gz WINPJOUMLZOBNJ-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984952 846282426 /nfs/dbraw/zinc/28/24/26/846282426.db2.gz WINPJOUMLZOBNJ-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C(F)(F)F ZINC001112124913 846402493 /nfs/dbraw/zinc/40/24/93/846402493.db2.gz DXLVKMMWSVUSSK-DGCLKSJQSA-N 2 2 364.368 0.975 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F)C(=O)N(C)C ZINC001112171549 846433106 /nfs/dbraw/zinc/43/31/06/846433106.db2.gz NWLBLLJRXGHFFT-MVWJERBFSA-N 2 2 361.368 0.408 20 0 FCADLP CC(=O)[C@H](C)[N@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276901314 861679815 /nfs/dbraw/zinc/67/98/15/861679815.db2.gz PLOVKPRWTPFTLM-LPHOPBHVSA-N 2 2 350.507 0.668 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206610 846463279 /nfs/dbraw/zinc/46/32/79/846463279.db2.gz XDQXAUZDNULYOZ-VXGBXAGGSA-N 2 2 371.425 0.106 20 0 FCADLP COCCOC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276914365 861686927 /nfs/dbraw/zinc/68/69/27/861686927.db2.gz ODQYMVRCCACOHX-KRWDZBQOSA-N 2 2 350.419 0.345 20 0 FCADLP COCCOC[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276914365 861686935 /nfs/dbraw/zinc/68/69/35/861686935.db2.gz ODQYMVRCCACOHX-KRWDZBQOSA-N 2 2 350.419 0.345 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001117841792 847181948 /nfs/dbraw/zinc/18/19/48/847181948.db2.gz QJASMWYBQBHFFS-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001117841792 847181954 /nfs/dbraw/zinc/18/19/54/847181954.db2.gz QJASMWYBQBHFFS-INIZCTEOSA-N 2 2 354.495 0.108 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001117840671 847182087 /nfs/dbraw/zinc/18/20/87/847182087.db2.gz DDRHINVXZCYNHA-UHFFFAOYSA-N 2 2 356.511 0.354 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001117840671 847182096 /nfs/dbraw/zinc/18/20/96/847182096.db2.gz DDRHINVXZCYNHA-UHFFFAOYSA-N 2 2 356.511 0.354 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC001118311356 847376012 /nfs/dbraw/zinc/37/60/12/847376012.db2.gz AEPQCJRYNYQYGN-HUUCEWRRSA-N 2 2 354.520 0.270 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC001118311356 847376018 /nfs/dbraw/zinc/37/60/18/847376018.db2.gz AEPQCJRYNYQYGN-HUUCEWRRSA-N 2 2 354.520 0.270 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH2+]CCC12CCOCC2)[C@@H](C)[NH+]1CCOCC1 ZINC001120556202 848240918 /nfs/dbraw/zinc/24/09/18/848240918.db2.gz RBYMJQCTWYTYDO-HZPDHXFCSA-N 2 2 354.495 0.650 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)c2cc3n(n2)CCC[C@H]3[NH3+])CC1 ZINC001122048124 848440299 /nfs/dbraw/zinc/44/02/99/848440299.db2.gz VFGOAZSMHZESLO-CQSZACIVSA-N 2 2 351.451 0.098 20 0 FCADLP Cc1ccc2[nH+]c(CSCC(=O)N3NC(=O)C[C@]34CC[NH2+]C4)cn2c1 ZINC001122191450 848463440 /nfs/dbraw/zinc/46/34/40/848463440.db2.gz WKUQUFMJUSHHAP-KRWDZBQOSA-N 2 2 359.455 0.872 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048430 848799476 /nfs/dbraw/zinc/79/94/76/848799476.db2.gz BXSFIIKRQAPILB-IDQBRBTGSA-N 2 2 352.870 0.856 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048430 848799478 /nfs/dbraw/zinc/79/94/78/848799478.db2.gz BXSFIIKRQAPILB-IDQBRBTGSA-N 2 2 352.870 0.856 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048430 848799480 /nfs/dbraw/zinc/79/94/80/848799480.db2.gz BXSFIIKRQAPILB-IDQBRBTGSA-N 2 2 352.870 0.856 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129048430 848799485 /nfs/dbraw/zinc/79/94/85/848799485.db2.gz BXSFIIKRQAPILB-IDQBRBTGSA-N 2 2 352.870 0.856 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001130110110 848946506 /nfs/dbraw/zinc/94/65/06/848946506.db2.gz VKTBJMGZKDGZSD-RNWDPLESSA-N 2 2 363.853 0.738 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)c1 ZINC001130555810 849013207 /nfs/dbraw/zinc/01/32/07/849013207.db2.gz LRPRYVWLEGGYHV-OFTVURMASA-N 2 2 367.881 0.387 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]C/C=C/Cl)c1 ZINC001130555810 849013216 /nfs/dbraw/zinc/01/32/16/849013216.db2.gz LRPRYVWLEGGYHV-OFTVURMASA-N 2 2 367.881 0.387 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCCO1 ZINC001134045754 849171310 /nfs/dbraw/zinc/17/13/10/849171310.db2.gz PDOARBOAKPQMIK-BZUAXINKSA-N 2 2 350.463 0.815 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136522982 849226270 /nfs/dbraw/zinc/22/62/70/849226270.db2.gz GDVLHDZDBYELNZ-BRSBDYLESA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001136522982 849226276 /nfs/dbraw/zinc/22/62/76/849226276.db2.gz GDVLHDZDBYELNZ-BRSBDYLESA-N 2 2 353.507 0.933 20 0 FCADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1N ZINC001139278581 849334642 /nfs/dbraw/zinc/33/46/42/849334642.db2.gz FLBHBEJCFRTJEE-CYBMUJFWSA-N 2 2 350.463 0.928 20 0 FCADLP COc1ccc(OC)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1N ZINC001139278581 849334654 /nfs/dbraw/zinc/33/46/54/849334654.db2.gz FLBHBEJCFRTJEE-CYBMUJFWSA-N 2 2 350.463 0.928 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccnc(F)c3)CC[C@@H]2C1 ZINC001139832085 849350739 /nfs/dbraw/zinc/35/07/39/849350739.db2.gz OPHIOBUSGBBDME-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccnc(F)c3)CC[C@@H]2C1 ZINC001139832085 849350741 /nfs/dbraw/zinc/35/07/41/849350741.db2.gz OPHIOBUSGBBDME-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccnc(F)c3)CC[C@@H]2C1 ZINC001139832085 849350742 /nfs/dbraw/zinc/35/07/42/849350742.db2.gz OPHIOBUSGBBDME-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccnc(F)c3)CC[C@@H]2C1 ZINC001139832085 849350744 /nfs/dbraw/zinc/35/07/44/849350744.db2.gz OPHIOBUSGBBDME-HZPDHXFCSA-N 2 2 350.438 0.832 20 0 FCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415317 849794172 /nfs/dbraw/zinc/79/41/72/849794172.db2.gz MVLCNWBRBKBBQC-ZACQAIPSSA-N 2 2 357.495 0.339 20 0 FCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415317 849794177 /nfs/dbraw/zinc/79/41/77/849794177.db2.gz MVLCNWBRBKBBQC-ZACQAIPSSA-N 2 2 357.495 0.339 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1 ZINC001156185056 849894129 /nfs/dbraw/zinc/89/41/29/849894129.db2.gz LFBCGWUQXOHBJO-UHFFFAOYSA-N 2 2 355.508 0.770 20 0 FCADLP C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)CC1 ZINC001157451526 849974350 /nfs/dbraw/zinc/97/43/50/849974350.db2.gz XMJCYLMVRRTPAW-ZDUSSCGKSA-N 2 2 373.238 0.935 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157593826 849983598 /nfs/dbraw/zinc/98/35/98/849983598.db2.gz YRMRDOCVWVYGRL-SFHVURJKSA-N 3 2 351.539 0.461 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001158006991 850011377 /nfs/dbraw/zinc/01/13/77/850011377.db2.gz PDKYWLKGNLCATF-HIFRSBDPSA-N 2 2 351.472 0.860 20 0 FCADLP COC(=O)c1cc2c(nc(Cl)nc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1C ZINC001158206415 850023520 /nfs/dbraw/zinc/02/35/20/850023520.db2.gz NOJMLSSHOAVMNK-MRVPVSSYSA-N 2 2 364.793 0.456 20 0 FCADLP CC[N@@H+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C(C)(C)C1 ZINC001158561539 850060907 /nfs/dbraw/zinc/06/09/07/850060907.db2.gz UASSYKLVUACUKT-UHFFFAOYSA-N 2 2 367.519 0.489 20 0 FCADLP CC[N@H+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C(C)(C)C1 ZINC001158561539 850060916 /nfs/dbraw/zinc/06/09/16/850060916.db2.gz UASSYKLVUACUKT-UHFFFAOYSA-N 2 2 367.519 0.489 20 0 FCADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001158734509 850071341 /nfs/dbraw/zinc/07/13/41/850071341.db2.gz AULRAOFDRNOVDJ-LBPRGKRZSA-N 2 2 356.448 0.126 20 0 FCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158858613 850081170 /nfs/dbraw/zinc/08/11/70/850081170.db2.gz ZCWLQOJNEZQQBT-ZDUSSCGKSA-N 3 2 354.524 0.154 20 0 FCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158858613 850081174 /nfs/dbraw/zinc/08/11/74/850081174.db2.gz ZCWLQOJNEZQQBT-ZDUSSCGKSA-N 3 2 354.524 0.154 20 0 FCADLP CC(C)(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160567 850098366 /nfs/dbraw/zinc/09/83/66/850098366.db2.gz LMEBJNOFSCOCNU-KHYOSLBOSA-N 3 2 350.507 0.476 20 0 FCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159192829 850100829 /nfs/dbraw/zinc/10/08/29/850100829.db2.gz XKJSIMCIRCWKQP-PYCCUYLESA-N 2 2 368.503 0.364 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C1 ZINC001159220738 850102862 /nfs/dbraw/zinc/10/28/62/850102862.db2.gz OAPDUFNKHKBPHG-RVKKMQEKSA-N 2 2 362.499 0.892 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159833992 850139878 /nfs/dbraw/zinc/13/98/78/850139878.db2.gz SZEVQHDURROHFA-MRBACNCNSA-N 2 2 370.544 0.662 20 0 FCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159833992 850139886 /nfs/dbraw/zinc/13/98/86/850139886.db2.gz SZEVQHDURROHFA-MRBACNCNSA-N 2 2 370.544 0.662 20 0 FCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)CNCC[NH3+])CC[C@@H]3C2)cs1 ZINC001160334574 850167085 /nfs/dbraw/zinc/16/70/85/850167085.db2.gz DNDOQFJCPVMENQ-GDBMZVCRSA-N 2 2 367.519 0.049 20 0 FCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)CNCC[NH3+])CC[C@@H]3C2)cs1 ZINC001160334574 850167092 /nfs/dbraw/zinc/16/70/92/850167092.db2.gz DNDOQFJCPVMENQ-GDBMZVCRSA-N 2 2 367.519 0.049 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795368 862101117 /nfs/dbraw/zinc/10/11/17/862101117.db2.gz WJQVYXNBEQSEQE-FUHWJXTLSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001277795368 862101120 /nfs/dbraw/zinc/10/11/20/862101120.db2.gz WJQVYXNBEQSEQE-FUHWJXTLSA-N 2 2 350.463 0.593 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001161139174 850233328 /nfs/dbraw/zinc/23/33/28/850233328.db2.gz MKLZIIIDWATXPU-GUYCJALGSA-N 2 2 364.833 0.794 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001161237551 850241771 /nfs/dbraw/zinc/24/17/71/850241771.db2.gz METLHRGWXGRXGT-QWHCGFSZSA-N 2 2 357.451 0.141 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001161237551 850241777 /nfs/dbraw/zinc/24/17/77/850241777.db2.gz METLHRGWXGRXGT-QWHCGFSZSA-N 2 2 357.451 0.141 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833094 862121015 /nfs/dbraw/zinc/12/10/15/862121015.db2.gz BFNRBOUKOMTSTC-WMLDXEAASA-N 2 2 363.449 0.505 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833094 862121020 /nfs/dbraw/zinc/12/10/20/862121020.db2.gz BFNRBOUKOMTSTC-WMLDXEAASA-N 2 2 363.449 0.505 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(OC)OC ZINC001277833680 862121541 /nfs/dbraw/zinc/12/15/41/862121541.db2.gz GLPMPXVRPCRMLE-BZUAXINKSA-N 2 2 357.495 0.373 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(OC)OC ZINC001277833680 862121549 /nfs/dbraw/zinc/12/15/49/862121549.db2.gz GLPMPXVRPCRMLE-BZUAXINKSA-N 2 2 357.495 0.373 20 0 FCADLP CC(C)(C)[NH+]1CCN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC1 ZINC001165089260 850422785 /nfs/dbraw/zinc/42/27/85/850422785.db2.gz YVCQRQQWMDDRTI-UHFFFAOYSA-N 2 2 367.519 0.489 20 0 FCADLP CS(=O)(=O)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593230 850450640 /nfs/dbraw/zinc/45/06/40/850450640.db2.gz GHKJVZIJEZEXCJ-ZIAGYGMSSA-N 2 2 368.503 0.824 20 0 FCADLP CS(=O)(=O)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593230 850450645 /nfs/dbraw/zinc/45/06/45/850450645.db2.gz GHKJVZIJEZEXCJ-ZIAGYGMSSA-N 2 2 368.503 0.824 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001166961131 850515332 /nfs/dbraw/zinc/51/53/32/850515332.db2.gz OTDSBGRMSYIJGR-HUUCEWRRSA-N 2 2 368.503 0.444 20 0 FCADLP COC[C@@H](O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271316 850538102 /nfs/dbraw/zinc/53/81/02/850538102.db2.gz LIJCEBGULWWAOG-RRFJBIMHSA-N 2 2 350.463 0.407 20 0 FCADLP NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C(F)(F)F)c1 ZINC001169073809 850604602 /nfs/dbraw/zinc/60/46/02/850604602.db2.gz LXGVWOZRCTWNJJ-MRVPVSSYSA-N 2 2 364.349 0.401 20 0 FCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])CO1 ZINC001169319658 850612796 /nfs/dbraw/zinc/61/27/96/850612796.db2.gz HTDIXNATPVEFJI-IGQOVBAYSA-N 2 2 357.451 0.633 20 0 FCADLP CS(=O)(=O)N1CCN(c2cccc(NC[C@H]3CCCC[NH2+]3)[nH+]2)CC1 ZINC001171328186 850682033 /nfs/dbraw/zinc/68/20/33/850682033.db2.gz MPRRMIRHJCSMOC-CQSZACIVSA-N 2 2 353.492 0.717 20 0 FCADLP Cc1noc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001171486714 850685822 /nfs/dbraw/zinc/68/58/22/850685822.db2.gz NXIITQDMZOKREM-GZBFAFLISA-N 2 2 353.467 0.862 20 0 FCADLP Cc1noc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001171486714 850685827 /nfs/dbraw/zinc/68/58/27/850685827.db2.gz NXIITQDMZOKREM-GZBFAFLISA-N 2 2 353.467 0.862 20 0 FCADLP CCN1C[C@@]23C[N@@H+]([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119676 850704474 /nfs/dbraw/zinc/70/44/74/850704474.db2.gz YTYJIJKJFXEPLK-SUMCQTLJSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[N@H+]([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119676 850704477 /nfs/dbraw/zinc/70/44/77/850704477.db2.gz YTYJIJKJFXEPLK-SUMCQTLJSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119676 850704479 /nfs/dbraw/zinc/70/44/79/850704479.db2.gz YTYJIJKJFXEPLK-SUMCQTLJSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119676 850704484 /nfs/dbraw/zinc/70/44/84/850704484.db2.gz YTYJIJKJFXEPLK-SUMCQTLJSA-N 2 2 369.531 0.879 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc(O)c3F)C2)OCC1=O ZINC001278068653 862178915 /nfs/dbraw/zinc/17/89/15/862178915.db2.gz IURNRAYBMCSVAT-GOSISDBHSA-N 2 2 351.422 0.896 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc(O)c3F)C2)OCC1=O ZINC001278068653 862178918 /nfs/dbraw/zinc/17/89/18/862178918.db2.gz IURNRAYBMCSVAT-GOSISDBHSA-N 2 2 351.422 0.896 20 0 FCADLP Cc1nnc(C[NH2+]CCCCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001178811425 850934082 /nfs/dbraw/zinc/93/40/82/850934082.db2.gz VLPOMQCPQSERPL-UKRRQHHQSA-N 2 2 353.467 0.863 20 0 FCADLP C[C@@H](C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O)[NH+](C)C ZINC001180861910 851072630 /nfs/dbraw/zinc/07/26/30/851072630.db2.gz RPMVEXKOVGPSOI-ZDUSSCGKSA-N 2 2 366.487 0.782 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2)[NH+](C)C ZINC001180864427 851072696 /nfs/dbraw/zinc/07/26/96/851072696.db2.gz OZWCAGUVZSQCHO-YQVWRLOYSA-N 2 2 352.523 0.724 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183402002 851245881 /nfs/dbraw/zinc/24/58/81/851245881.db2.gz BZFAZOPTIPJFDA-MGPQQGTHSA-N 2 2 369.491 0.033 20 0 FCADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183402002 851245887 /nfs/dbraw/zinc/24/58/87/851245887.db2.gz BZFAZOPTIPJFDA-MGPQQGTHSA-N 2 2 369.491 0.033 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@@H+]1C ZINC001185941681 851401365 /nfs/dbraw/zinc/40/13/65/851401365.db2.gz BNKPUNDURRYSIS-VNQPRFMTSA-N 2 2 352.458 0.841 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(C[NH2+]CCF)nn3)C2)CC[N@H+]1C ZINC001185941681 851401374 /nfs/dbraw/zinc/40/13/74/851401374.db2.gz BNKPUNDURRYSIS-VNQPRFMTSA-N 2 2 352.458 0.841 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431901 851564329 /nfs/dbraw/zinc/56/43/29/851564329.db2.gz HEPCKLZYZMQVGX-BFHYXJOUSA-N 2 2 365.396 0.429 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431901 851564333 /nfs/dbraw/zinc/56/43/33/851564333.db2.gz HEPCKLZYZMQVGX-BFHYXJOUSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431901 851564337 /nfs/dbraw/zinc/56/43/37/851564337.db2.gz HEPCKLZYZMQVGX-BFHYXJOUSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)(F)F)C[C@H]32)C1 ZINC001187431901 851564342 /nfs/dbraw/zinc/56/43/42/851564342.db2.gz HEPCKLZYZMQVGX-BFHYXJOUSA-N 2 2 365.396 0.429 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189522503 851798896 /nfs/dbraw/zinc/79/88/96/851798896.db2.gz FYUWLOVUZCXOBI-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189522503 851798900 /nfs/dbraw/zinc/79/89/00/851798900.db2.gz FYUWLOVUZCXOBI-DLBZAZTESA-N 2 2 350.507 0.777 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189941847 851847152 /nfs/dbraw/zinc/84/71/52/851847152.db2.gz FHHLONDGZKXWFQ-IVMMDQJWSA-N 2 2 368.503 0.474 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001189941847 851847159 /nfs/dbraw/zinc/84/71/59/851847159.db2.gz FHHLONDGZKXWFQ-IVMMDQJWSA-N 2 2 368.503 0.474 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001190350901 851894729 /nfs/dbraw/zinc/89/47/29/851894729.db2.gz OTVWWYRBPCMLME-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001190350901 851894737 /nfs/dbraw/zinc/89/47/37/851894737.db2.gz OTVWWYRBPCMLME-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001190350901 851894747 /nfs/dbraw/zinc/89/47/47/851894747.db2.gz OTVWWYRBPCMLME-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001190350901 851894754 /nfs/dbraw/zinc/89/47/54/851894754.db2.gz OTVWWYRBPCMLME-DLBZAZTESA-N 2 2 350.507 0.776 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363222 851896271 /nfs/dbraw/zinc/89/62/71/851896271.db2.gz FMKYCBKYKAQZSF-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363222 851896273 /nfs/dbraw/zinc/89/62/73/851896273.db2.gz FMKYCBKYKAQZSF-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190363222 851896276 /nfs/dbraw/zinc/89/62/76/851896276.db2.gz FMKYCBKYKAQZSF-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190363222 851896279 /nfs/dbraw/zinc/89/62/79/851896279.db2.gz FMKYCBKYKAQZSF-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCCC1 ZINC001192978102 852328824 /nfs/dbraw/zinc/32/88/24/852328824.db2.gz QIFVNKNTRRQXSE-ZIAGYGMSSA-N 2 2 363.449 0.694 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCCC1 ZINC001192978102 852328832 /nfs/dbraw/zinc/32/88/32/852328832.db2.gz QIFVNKNTRRQXSE-ZIAGYGMSSA-N 2 2 363.449 0.694 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)CCC1 ZINC001193737943 852479085 /nfs/dbraw/zinc/47/90/85/852479085.db2.gz KQWLLBJGIQZXBO-VXGBXAGGSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)CCC1 ZINC001193737943 852479091 /nfs/dbraw/zinc/47/90/91/852479091.db2.gz KQWLLBJGIQZXBO-VXGBXAGGSA-N 2 2 353.385 0.211 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193755478 852481939 /nfs/dbraw/zinc/48/19/39/852481939.db2.gz LGVYMEXMQGRVFV-IXDOHACOSA-N 2 2 351.495 0.555 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001193766762 852485325 /nfs/dbraw/zinc/48/53/25/852485325.db2.gz VUHFSFGGCYUNFW-ZIAGYGMSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC001193766762 852485331 /nfs/dbraw/zinc/48/53/31/852485331.db2.gz VUHFSFGGCYUNFW-ZIAGYGMSSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193790983 852489212 /nfs/dbraw/zinc/48/92/12/852489212.db2.gz ACPZEJUVLNIUKA-CKEIUWERSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193790983 852489220 /nfs/dbraw/zinc/48/92/20/852489220.db2.gz ACPZEJUVLNIUKA-CKEIUWERSA-N 2 2 350.463 0.547 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001194243647 852562128 /nfs/dbraw/zinc/56/21/28/852562128.db2.gz BHTYRQWXPZFHIN-ARFHVFGLSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001194243647 852562131 /nfs/dbraw/zinc/56/21/31/852562131.db2.gz BHTYRQWXPZFHIN-ARFHVFGLSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001194243988 852563897 /nfs/dbraw/zinc/56/38/97/852563897.db2.gz GFBHFXXMUGODGN-BZUAXINKSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001194243988 852563903 /nfs/dbraw/zinc/56/39/03/852563903.db2.gz GFBHFXXMUGODGN-BZUAXINKSA-N 2 2 350.463 0.424 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001195149009 852715064 /nfs/dbraw/zinc/71/50/64/852715064.db2.gz GVVQTZVKFLESEO-BRWVUGGUSA-N 2 2 350.463 0.376 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001195149009 852715071 /nfs/dbraw/zinc/71/50/71/852715071.db2.gz GVVQTZVKFLESEO-BRWVUGGUSA-N 2 2 350.463 0.376 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)CC[N@@H+]1C ZINC001195594215 852793466 /nfs/dbraw/zinc/79/34/66/852793466.db2.gz JBKJNIYBWPXOIA-IGQOVBAYSA-N 2 2 367.412 0.457 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)CC[N@H+]1C ZINC001195594215 852793471 /nfs/dbraw/zinc/79/34/71/852793471.db2.gz JBKJNIYBWPXOIA-IGQOVBAYSA-N 2 2 367.412 0.457 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001195594215 852793475 /nfs/dbraw/zinc/79/34/75/852793475.db2.gz JBKJNIYBWPXOIA-IGQOVBAYSA-N 2 2 367.412 0.457 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001195594215 852793479 /nfs/dbraw/zinc/79/34/79/852793479.db2.gz JBKJNIYBWPXOIA-IGQOVBAYSA-N 2 2 367.412 0.457 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708709 852816386 /nfs/dbraw/zinc/81/63/86/852816386.db2.gz SFJLPWIAHZBFIH-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708709 852816392 /nfs/dbraw/zinc/81/63/92/852816392.db2.gz SFJLPWIAHZBFIH-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196114776 852893741 /nfs/dbraw/zinc/89/37/41/852893741.db2.gz BPRPJRFQDJVAAD-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O)[NH+](CC)CC ZINC001196114776 852893744 /nfs/dbraw/zinc/89/37/44/852893744.db2.gz BPRPJRFQDJVAAD-RBSFLKMASA-N 2 2 356.511 0.183 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196200478 852912819 /nfs/dbraw/zinc/91/28/19/852912819.db2.gz VZRKBENXWUYXOU-HZPDHXFCSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196200478 852912823 /nfs/dbraw/zinc/91/28/23/852912823.db2.gz VZRKBENXWUYXOU-HZPDHXFCSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196200478 852912829 /nfs/dbraw/zinc/91/28/29/852912829.db2.gz VZRKBENXWUYXOU-HZPDHXFCSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196200478 852912835 /nfs/dbraw/zinc/91/28/35/852912835.db2.gz VZRKBENXWUYXOU-HZPDHXFCSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)o1 ZINC001196207790 852915970 /nfs/dbraw/zinc/91/59/70/852915970.db2.gz UMNSXRPJMDXPEH-HUUCEWRRSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)o1 ZINC001196207790 852915973 /nfs/dbraw/zinc/91/59/73/852915973.db2.gz UMNSXRPJMDXPEH-HUUCEWRRSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)o1 ZINC001196207790 852915977 /nfs/dbraw/zinc/91/59/77/852915977.db2.gz UMNSXRPJMDXPEH-HUUCEWRRSA-N 2 2 352.479 0.931 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)o1 ZINC001196207790 852915981 /nfs/dbraw/zinc/91/59/81/852915981.db2.gz UMNSXRPJMDXPEH-HUUCEWRRSA-N 2 2 352.479 0.931 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269319 852929784 /nfs/dbraw/zinc/92/97/84/852929784.db2.gz SMFKRQBVKCPQEL-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269319 852929790 /nfs/dbraw/zinc/92/97/90/852929790.db2.gz SMFKRQBVKCPQEL-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196269319 852929796 /nfs/dbraw/zinc/92/97/96/852929796.db2.gz SMFKRQBVKCPQEL-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196269319 852929801 /nfs/dbraw/zinc/92/98/01/852929801.db2.gz SMFKRQBVKCPQEL-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(Cl)c1 ZINC001197826046 853168000 /nfs/dbraw/zinc/16/80/00/853168000.db2.gz NZGPUJTYZISLGS-IAGOWNOFSA-N 2 2 369.893 0.888 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)c(Cl)c1 ZINC001197826046 853168004 /nfs/dbraw/zinc/16/80/04/853168004.db2.gz NZGPUJTYZISLGS-IAGOWNOFSA-N 2 2 369.893 0.888 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833617 853169677 /nfs/dbraw/zinc/16/96/77/853169677.db2.gz KAKJATGSJNZJNX-NVXWUHKLSA-N 2 2 350.463 0.595 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197833617 853169682 /nfs/dbraw/zinc/16/96/82/853169682.db2.gz KAKJATGSJNZJNX-NVXWUHKLSA-N 2 2 350.463 0.595 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001198029530 853208167 /nfs/dbraw/zinc/20/81/67/853208167.db2.gz CGHBYANPUSMJTA-QGZVFWFLSA-N 2 2 367.515 0.987 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001198029530 853208170 /nfs/dbraw/zinc/20/81/70/853208170.db2.gz CGHBYANPUSMJTA-QGZVFWFLSA-N 2 2 367.515 0.987 20 0 FCADLP Cc1ncc(S(=O)(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)n1C ZINC001198391111 853261042 /nfs/dbraw/zinc/26/10/42/853261042.db2.gz BWDPDKKKEMNMJZ-UHFFFAOYSA-N 2 2 355.508 0.377 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001198729458 853307630 /nfs/dbraw/zinc/30/76/30/853307630.db2.gz OBDBNBHDNCODEA-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)o1 ZINC001198729458 853307638 /nfs/dbraw/zinc/30/76/38/853307638.db2.gz OBDBNBHDNCODEA-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729202 853307726 /nfs/dbraw/zinc/30/77/26/853307726.db2.gz HHDNHVSONGYSFN-HZPDHXFCSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729202 853307727 /nfs/dbraw/zinc/30/77/27/853307727.db2.gz HHDNHVSONGYSFN-HZPDHXFCSA-N 2 2 350.463 0.910 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(NS(C)(=O)=O)c1 ZINC001278751489 862450327 /nfs/dbraw/zinc/45/03/27/862450327.db2.gz CJBGOIDUXYMLSE-CALCHBBNSA-N 2 2 352.504 0.878 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(NS(C)(=O)=O)c1 ZINC001278751489 862450333 /nfs/dbraw/zinc/45/03/33/862450333.db2.gz CJBGOIDUXYMLSE-CALCHBBNSA-N 2 2 352.504 0.878 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001199398064 853419491 /nfs/dbraw/zinc/41/94/91/853419491.db2.gz IDNHPRLJRJOLAB-GVDBMIGSSA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001199398064 853419494 /nfs/dbraw/zinc/41/94/94/853419494.db2.gz IDNHPRLJRJOLAB-GVDBMIGSSA-N 2 2 350.463 0.641 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)Nc1c[nH+]ccc1N1CCOCC1 ZINC001199939710 853464318 /nfs/dbraw/zinc/46/43/18/853464318.db2.gz QUKIGULYUMZWIV-UHFFFAOYSA-N 2 2 365.503 0.927 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)NCC1CC[NH+](C2COC2)CC1 ZINC001199958417 853469080 /nfs/dbraw/zinc/46/90/80/853469080.db2.gz JPIUITXIIONSRF-UHFFFAOYSA-N 2 2 356.536 0.284 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=S)NC3CC3)CC2)C1=O ZINC001200626189 853505774 /nfs/dbraw/zinc/50/57/74/853505774.db2.gz WNXHFGODOHARSB-UHFFFAOYSA-N 2 2 353.536 0.194 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=S)NC3CC3)CC2)C1=O ZINC001200626189 853505777 /nfs/dbraw/zinc/50/57/77/853505777.db2.gz WNXHFGODOHARSB-UHFFFAOYSA-N 2 2 353.536 0.194 20 0 FCADLP C[C@H](C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)CS(C)(=O)=O ZINC001201125089 853517559 /nfs/dbraw/zinc/51/75/59/853517559.db2.gz GGFTZXRUYKKSIE-BPLDGKMQSA-N 2 2 368.503 0.775 20 0 FCADLP C[C@H](C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)CS(C)(=O)=O ZINC001201125089 853517569 /nfs/dbraw/zinc/51/75/69/853517569.db2.gz GGFTZXRUYKKSIE-BPLDGKMQSA-N 2 2 368.503 0.775 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206585711 853701514 /nfs/dbraw/zinc/70/15/14/853701514.db2.gz BUYPYULRHSLPDT-UPJWGTAASA-N 2 2 364.412 0.586 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206585711 853701522 /nfs/dbraw/zinc/70/15/22/853701522.db2.gz BUYPYULRHSLPDT-UPJWGTAASA-N 2 2 364.412 0.586 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206585711 853701528 /nfs/dbraw/zinc/70/15/28/853701528.db2.gz BUYPYULRHSLPDT-UPJWGTAASA-N 2 2 364.412 0.586 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206585711 853701534 /nfs/dbraw/zinc/70/15/34/853701534.db2.gz BUYPYULRHSLPDT-UPJWGTAASA-N 2 2 364.412 0.586 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001207021386 853779972 /nfs/dbraw/zinc/77/99/72/853779972.db2.gz XMTYBGXTGLURLX-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001207021386 853779978 /nfs/dbraw/zinc/77/99/78/853779978.db2.gz XMTYBGXTGLURLX-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001207021386 853779987 /nfs/dbraw/zinc/77/99/87/853779987.db2.gz XMTYBGXTGLURLX-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cncc(F)c3)CC[C@@H]2C1 ZINC001207021386 853779990 /nfs/dbraw/zinc/77/99/90/853779990.db2.gz XMTYBGXTGLURLX-NVXWUHKLSA-N 2 2 350.438 0.832 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337815 853806427 /nfs/dbraw/zinc/80/64/27/853806427.db2.gz YKOVOJLAYOUSHG-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337815 853806434 /nfs/dbraw/zinc/80/64/34/853806434.db2.gz YKOVOJLAYOUSHG-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337815 853806440 /nfs/dbraw/zinc/80/64/40/853806440.db2.gz YKOVOJLAYOUSHG-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001207337815 853806446 /nfs/dbraw/zinc/80/64/46/853806446.db2.gz YKOVOJLAYOUSHG-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207709572 853844514 /nfs/dbraw/zinc/84/45/14/853844514.db2.gz YXPADBUNNVEXEX-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207709572 853844524 /nfs/dbraw/zinc/84/45/24/853844524.db2.gz YXPADBUNNVEXEX-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207709572 853844529 /nfs/dbraw/zinc/84/45/29/853844529.db2.gz YXPADBUNNVEXEX-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207709572 853844537 /nfs/dbraw/zinc/84/45/37/853844537.db2.gz YXPADBUNNVEXEX-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208122924 853897616 /nfs/dbraw/zinc/89/76/16/853897616.db2.gz GDCBRPFWYKHRJK-HUUCEWRRSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208122924 853897618 /nfs/dbraw/zinc/89/76/18/853897618.db2.gz GDCBRPFWYKHRJK-HUUCEWRRSA-N 2 2 359.536 0.732 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208255105 853907568 /nfs/dbraw/zinc/90/75/68/853907568.db2.gz UKIHNLCLGXHEDA-UKRRQHHQSA-N 2 2 363.487 0.942 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208255105 853907571 /nfs/dbraw/zinc/90/75/71/853907571.db2.gz UKIHNLCLGXHEDA-UKRRQHHQSA-N 2 2 363.487 0.942 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281655 853912708 /nfs/dbraw/zinc/91/27/08/853912708.db2.gz SQGGODJANRTXQW-GDBMZVCRSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281655 853912715 /nfs/dbraw/zinc/91/27/15/853912715.db2.gz SQGGODJANRTXQW-GDBMZVCRSA-N 2 2 350.507 0.824 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208574808 853954288 /nfs/dbraw/zinc/95/42/88/853954288.db2.gz GBCOFTUFLOOHLU-BZUAXINKSA-N 2 2 361.552 0.978 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C)[NH+](CC)CC ZINC001208574808 853954289 /nfs/dbraw/zinc/95/42/89/853954289.db2.gz GBCOFTUFLOOHLU-BZUAXINKSA-N 2 2 361.552 0.978 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NCC(C)(C)C)C[C@H]2C)C1 ZINC001208597079 853958394 /nfs/dbraw/zinc/95/83/94/853958394.db2.gz IHNJTNYSDNIRGD-BZUAXINKSA-N 2 2 352.523 0.927 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(=O)NCC(C)(C)C)C[C@H]2C)C1 ZINC001208597079 853958398 /nfs/dbraw/zinc/95/83/98/853958398.db2.gz IHNJTNYSDNIRGD-BZUAXINKSA-N 2 2 352.523 0.927 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]2C)C1 ZINC001208597079 853958404 /nfs/dbraw/zinc/95/84/04/853958404.db2.gz IHNJTNYSDNIRGD-BZUAXINKSA-N 2 2 352.523 0.927 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]2C)C1 ZINC001208597079 853958409 /nfs/dbraw/zinc/95/84/09/853958409.db2.gz IHNJTNYSDNIRGD-BZUAXINKSA-N 2 2 352.523 0.927 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616408 853960776 /nfs/dbraw/zinc/96/07/76/853960776.db2.gz ZBSFNWGAZBTLPK-RCCFBDPRSA-N 3 2 352.523 0.439 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616408 853960779 /nfs/dbraw/zinc/96/07/79/853960779.db2.gz ZBSFNWGAZBTLPK-RCCFBDPRSA-N 3 2 352.523 0.439 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616408 853960783 /nfs/dbraw/zinc/96/07/83/853960783.db2.gz ZBSFNWGAZBTLPK-RCCFBDPRSA-N 3 2 352.523 0.439 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)CC[C@@H]2C1 ZINC001208616408 853960789 /nfs/dbraw/zinc/96/07/89/853960789.db2.gz ZBSFNWGAZBTLPK-RCCFBDPRSA-N 3 2 352.523 0.439 20 0 FCADLP COC(=O)[C@H]1CC[C@H](C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001208630776 853961611 /nfs/dbraw/zinc/96/16/11/853961611.db2.gz GRAITIZHRNRCJO-IYARVYRRSA-N 2 2 353.507 0.916 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209103241 853998353 /nfs/dbraw/zinc/99/83/53/853998353.db2.gz RAMVSDYRKQUEIM-UHFFFAOYSA-N 2 2 353.507 0.870 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046670 854149835 /nfs/dbraw/zinc/14/98/35/854149835.db2.gz TXTLAAOTBXULLN-IIAWOOMASA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046670 854149838 /nfs/dbraw/zinc/14/98/38/854149838.db2.gz TXTLAAOTBXULLN-IIAWOOMASA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211046980 854150693 /nfs/dbraw/zinc/15/06/93/854150693.db2.gz XRKPQGMDSRWHMR-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001211046980 854150697 /nfs/dbraw/zinc/15/06/97/854150697.db2.gz XRKPQGMDSRWHMR-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054896 854151211 /nfs/dbraw/zinc/15/12/11/854151211.db2.gz XSLXUDZLRIGILZ-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054896 854151215 /nfs/dbraw/zinc/15/12/15/854151215.db2.gz XSLXUDZLRIGILZ-CKEIUWERSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)no1 ZINC001211054181 854151427 /nfs/dbraw/zinc/15/14/27/854151427.db2.gz IUSLWXRTLIOGIW-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)no1 ZINC001211054181 854151436 /nfs/dbraw/zinc/15/14/36/854151436.db2.gz IUSLWXRTLIOGIW-JKIFEVAISA-N 2 2 350.463 0.888 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094788 854157063 /nfs/dbraw/zinc/15/70/63/854157063.db2.gz QXEJSXGORDOCCM-HZPDHXFCSA-N 2 2 359.536 0.734 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211094788 854157070 /nfs/dbraw/zinc/15/70/70/854157070.db2.gz QXEJSXGORDOCCM-HZPDHXFCSA-N 2 2 359.536 0.734 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183736 854166050 /nfs/dbraw/zinc/16/60/50/854166050.db2.gz GYGPVWCSVCQYME-KFWWJZLASA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183736 854166053 /nfs/dbraw/zinc/16/60/53/854166053.db2.gz GYGPVWCSVCQYME-KFWWJZLASA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183736 854166058 /nfs/dbraw/zinc/16/60/58/854166058.db2.gz GYGPVWCSVCQYME-KFWWJZLASA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001211183736 854166062 /nfs/dbraw/zinc/16/60/62/854166062.db2.gz GYGPVWCSVCQYME-KFWWJZLASA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212353351 854448481 /nfs/dbraw/zinc/44/84/81/854448481.db2.gz QORMJALJNLDGDJ-ARFHVFGLSA-N 2 2 355.458 0.415 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212353351 854448483 /nfs/dbraw/zinc/44/84/83/854448483.db2.gz QORMJALJNLDGDJ-ARFHVFGLSA-N 2 2 355.458 0.415 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224092 854540360 /nfs/dbraw/zinc/54/03/60/854540360.db2.gz MEKADZUKFVTTTA-RBSFLKMASA-N 2 2 354.495 0.330 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224092 854540372 /nfs/dbraw/zinc/54/03/72/854540372.db2.gz MEKADZUKFVTTTA-RBSFLKMASA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001213253019 854552211 /nfs/dbraw/zinc/55/22/11/854552211.db2.gz XNIXGQFKULOPAO-ZIAGYGMSSA-N 2 2 363.449 0.958 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001213253019 854552215 /nfs/dbraw/zinc/55/22/15/854552215.db2.gz XNIXGQFKULOPAO-ZIAGYGMSSA-N 2 2 363.449 0.958 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323023 854572399 /nfs/dbraw/zinc/57/23/99/854572399.db2.gz ZUZKOCHYPCFZMN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323023 854572406 /nfs/dbraw/zinc/57/24/06/854572406.db2.gz ZUZKOCHYPCFZMN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323023 854572408 /nfs/dbraw/zinc/57/24/08/854572408.db2.gz ZUZKOCHYPCFZMN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323023 854572415 /nfs/dbraw/zinc/57/24/15/854572415.db2.gz ZUZKOCHYPCFZMN-BZUAXINKSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335369 854578552 /nfs/dbraw/zinc/57/85/52/854578552.db2.gz CCYOBTRSVYPADS-DJIMGWMZSA-N 2 2 350.463 0.606 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001213335369 854578558 /nfs/dbraw/zinc/57/85/58/854578558.db2.gz CCYOBTRSVYPADS-DJIMGWMZSA-N 2 2 350.463 0.606 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369385 854589688 /nfs/dbraw/zinc/58/96/88/854589688.db2.gz QWSGOTIKZBIBGT-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369385 854589692 /nfs/dbraw/zinc/58/96/92/854589692.db2.gz QWSGOTIKZBIBGT-FVQBIDKESA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369430 854591309 /nfs/dbraw/zinc/59/13/09/854591309.db2.gz UAKLLEBPIVLWFM-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369430 854591319 /nfs/dbraw/zinc/59/13/19/854591319.db2.gz UAKLLEBPIVLWFM-NUEKZKHPSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213397542 854601173 /nfs/dbraw/zinc/60/11/73/854601173.db2.gz RGKXYVNTNZIQNP-IIAWOOMASA-N 2 2 356.511 0.303 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213397542 854601180 /nfs/dbraw/zinc/60/11/80/854601180.db2.gz RGKXYVNTNZIQNP-IIAWOOMASA-N 2 2 356.511 0.303 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213435007 854614425 /nfs/dbraw/zinc/61/44/25/854614425.db2.gz PPJWVCJSVRAKSD-OWCLPIDISA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC)[NH+](CC)CC ZINC001213435007 854614433 /nfs/dbraw/zinc/61/44/33/854614433.db2.gz PPJWVCJSVRAKSD-OWCLPIDISA-N 2 2 356.511 0.401 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC)[NH+](C)C ZINC001213455922 854625171 /nfs/dbraw/zinc/62/51/71/854625171.db2.gz UJCXHTDZNUXOMT-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC)[NH+](C)C ZINC001213455922 854625179 /nfs/dbraw/zinc/62/51/79/854625179.db2.gz UJCXHTDZNUXOMT-OWCLPIDISA-N 2 2 350.463 0.746 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1OC)[NH+](C)C ZINC001213457950 854625492 /nfs/dbraw/zinc/62/54/92/854625492.db2.gz IYJBBECRPZZTMV-QLFBSQMISA-N 2 2 370.519 0.374 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213594870 854679611 /nfs/dbraw/zinc/67/96/11/854679611.db2.gz QVCAPZCRTMIPKL-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001213594870 854679614 /nfs/dbraw/zinc/67/96/14/854679614.db2.gz QVCAPZCRTMIPKL-IAGOWNOFSA-N 2 2 350.463 0.747 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671351 854708158 /nfs/dbraw/zinc/70/81/58/854708158.db2.gz CKFLEJSQNFAJIA-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671351 854708161 /nfs/dbraw/zinc/70/81/61/854708161.db2.gz CKFLEJSQNFAJIA-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671351 854708171 /nfs/dbraw/zinc/70/81/71/854708171.db2.gz CKFLEJSQNFAJIA-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671351 854708180 /nfs/dbraw/zinc/70/81/80/854708180.db2.gz CKFLEJSQNFAJIA-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213676226 854712019 /nfs/dbraw/zinc/71/20/19/854712019.db2.gz WPISKWUKOXMJGV-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213676226 854712027 /nfs/dbraw/zinc/71/20/27/854712027.db2.gz WPISKWUKOXMJGV-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213676226 854712034 /nfs/dbraw/zinc/71/20/34/854712034.db2.gz WPISKWUKOXMJGV-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213676226 854712039 /nfs/dbraw/zinc/71/20/39/854712039.db2.gz WPISKWUKOXMJGV-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857596 854793646 /nfs/dbraw/zinc/79/36/46/854793646.db2.gz QFRKDCNLITXPMZ-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857596 854793651 /nfs/dbraw/zinc/79/36/51/854793651.db2.gz QFRKDCNLITXPMZ-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857596 854793654 /nfs/dbraw/zinc/79/36/54/854793654.db2.gz QFRKDCNLITXPMZ-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857596 854793657 /nfs/dbraw/zinc/79/36/57/854793657.db2.gz QFRKDCNLITXPMZ-RBSFLKMASA-N 2 2 354.495 0.058 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859611 854795255 /nfs/dbraw/zinc/79/52/55/854795255.db2.gz HDGBXEUBGYQMCV-QLFBSQMISA-N 2 2 351.451 0.051 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859611 854795261 /nfs/dbraw/zinc/79/52/61/854795261.db2.gz HDGBXEUBGYQMCV-QLFBSQMISA-N 2 2 351.451 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213864064 854798733 /nfs/dbraw/zinc/79/87/33/854798733.db2.gz YPIHZJIUMYPDJK-FVQBIDKESA-N 2 2 368.503 0.427 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213864064 854798738 /nfs/dbraw/zinc/79/87/38/854798738.db2.gz YPIHZJIUMYPDJK-FVQBIDKESA-N 2 2 368.503 0.427 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001214814516 855017787 /nfs/dbraw/zinc/01/77/87/855017787.db2.gz YJBGCWXOFANUHR-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001214814516 855017794 /nfs/dbraw/zinc/01/77/94/855017794.db2.gz YJBGCWXOFANUHR-HYVNUMGLSA-N 2 2 350.463 0.974 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894821 855028974 /nfs/dbraw/zinc/02/89/74/855028974.db2.gz SVAFQVBOVVJDID-IXYNUQLISA-N 2 2 368.503 0.775 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894821 855028976 /nfs/dbraw/zinc/02/89/76/855028976.db2.gz SVAFQVBOVVJDID-IXYNUQLISA-N 2 2 368.503 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214894964 855029040 /nfs/dbraw/zinc/02/90/40/855029040.db2.gz VKLIWUFREOJKTE-RGCMKSIDSA-N 2 2 354.476 0.384 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214894964 855029042 /nfs/dbraw/zinc/02/90/42/855029042.db2.gz VKLIWUFREOJKTE-RGCMKSIDSA-N 2 2 354.476 0.384 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCS(C)(=O)=O)C2)c[nH+]1 ZINC001214948253 855038952 /nfs/dbraw/zinc/03/89/52/855038952.db2.gz MPGJOOFMGGBKPA-UKRRQHHQSA-N 2 2 370.519 0.798 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008789 855051745 /nfs/dbraw/zinc/05/17/45/855051745.db2.gz ZXCXTHZMRZILAZ-HLLBOEOZSA-N 2 2 350.463 0.545 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(=O)N(C)C ZINC001215024093 855053803 /nfs/dbraw/zinc/05/38/03/855053803.db2.gz GOOSUKLTUTVTLQ-LALPHHSUSA-N 2 2 351.451 0.263 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1[NH2+]CCCF ZINC001215199150 855079268 /nfs/dbraw/zinc/07/92/68/855079268.db2.gz VOCPSCPFTHJLML-VQHPVUNQSA-N 2 2 357.470 0.662 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001215226659 855084672 /nfs/dbraw/zinc/08/46/72/855084672.db2.gz OLLCMBCKHFKYQN-KBAYOESNSA-N 2 2 353.507 0.960 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001215226659 855084677 /nfs/dbraw/zinc/08/46/77/855084677.db2.gz OLLCMBCKHFKYQN-KBAYOESNSA-N 2 2 353.507 0.960 20 0 FCADLP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001215681431 855135700 /nfs/dbraw/zinc/13/57/00/855135700.db2.gz ZCAXIPKLCJDMAD-ZWNOBZJWSA-N 2 2 362.459 0.792 20 0 FCADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706186 855137779 /nfs/dbraw/zinc/13/77/79/855137779.db2.gz YPCPZPBWOBDKER-QLFBSQMISA-N 2 2 371.507 0.210 20 0 FCADLP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216064491 855166973 /nfs/dbraw/zinc/16/69/73/855166973.db2.gz BNFMAHJVSRXQGS-HUUCEWRRSA-N 2 2 370.519 0.994 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001216387774 855197810 /nfs/dbraw/zinc/19/78/10/855197810.db2.gz JSGPHAOVIMWCSE-UKRRQHHQSA-N 2 2 368.503 0.224 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216826519 855251552 /nfs/dbraw/zinc/25/15/52/855251552.db2.gz JWEOQSWRPDQBKP-FVQBIDKESA-N 2 2 367.515 0.550 20 0 FCADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216826519 855251560 /nfs/dbraw/zinc/25/15/60/855251560.db2.gz JWEOQSWRPDQBKP-FVQBIDKESA-N 2 2 367.515 0.550 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CCOCCO ZINC001216829884 855252086 /nfs/dbraw/zinc/25/20/86/855252086.db2.gz BWSZKWBEBKIZAQ-GDBMZVCRSA-N 2 2 367.515 0.552 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CCOCCO ZINC001216829884 855252097 /nfs/dbraw/zinc/25/20/97/855252097.db2.gz BWSZKWBEBKIZAQ-GDBMZVCRSA-N 2 2 367.515 0.552 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]21 ZINC001217550395 855346334 /nfs/dbraw/zinc/34/63/34/855346334.db2.gz YXYCEGCAXLGGAP-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]21 ZINC001217550395 855346337 /nfs/dbraw/zinc/34/63/37/855346337.db2.gz YXYCEGCAXLGGAP-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]21 ZINC001217550395 855346342 /nfs/dbraw/zinc/34/63/42/855346342.db2.gz YXYCEGCAXLGGAP-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]21 ZINC001217550395 855346348 /nfs/dbraw/zinc/34/63/48/855346348.db2.gz YXYCEGCAXLGGAP-FGTMMUONSA-N 2 2 351.491 0.809 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217594886 855350923 /nfs/dbraw/zinc/35/09/23/855350923.db2.gz HJGPPWNYFGDOBH-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217594886 855350934 /nfs/dbraw/zinc/35/09/34/855350934.db2.gz HJGPPWNYFGDOBH-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217594886 855350941 /nfs/dbraw/zinc/35/09/41/855350941.db2.gz HJGPPWNYFGDOBH-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP CCCCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217594886 855350952 /nfs/dbraw/zinc/35/09/52/855350952.db2.gz HJGPPWNYFGDOBH-GVDBMIGSSA-N 2 2 355.479 0.045 20 0 FCADLP N=c1nnc(-c2cccc(Cl)c2Cl)c(N)n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218603166 855447366 /nfs/dbraw/zinc/44/73/66/855447366.db2.gz WBIOBJRDPCFLFZ-MUWHJKNJSA-N 2 2 368.228 0.643 20 0 FCADLP Cn1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])c2cc(I)cnc21 ZINC001218605336 855447408 /nfs/dbraw/zinc/44/74/08/855447408.db2.gz DMDMHAGEMGDEMU-QMMMGPOBSA-N 2 2 374.186 0.188 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2[nH]cc(Br)c21 ZINC001218614099 855450572 /nfs/dbraw/zinc/45/05/72/855450572.db2.gz CBAIWIWXSREKOD-MRVPVSSYSA-N 2 2 350.180 0.952 20 0 FCADLP NC(=O)c1cc(Br)ccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218844123 855485095 /nfs/dbraw/zinc/48/50/95/855485095.db2.gz RYOYNTJKUKSRPN-UDZFHETQSA-N 2 2 353.220 0.708 20 0 FCADLP CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1 ZINC001218855024 855487171 /nfs/dbraw/zinc/48/71/71/855487171.db2.gz CGYKTCISFRKEAI-ZDUSSCGKSA-N 2 2 366.443 0.731 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003189 855509531 /nfs/dbraw/zinc/50/95/31/855509531.db2.gz YJSJQUSBVTYBPE-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003189 855509538 /nfs/dbraw/zinc/50/95/38/855509538.db2.gz YJSJQUSBVTYBPE-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP COCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010504 855512132 /nfs/dbraw/zinc/51/21/32/855512132.db2.gz VAFPPOPODSYHRH-DLBZAZTESA-N 2 2 350.463 0.989 20 0 FCADLP COCCCCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010504 855512138 /nfs/dbraw/zinc/51/21/38/855512138.db2.gz VAFPPOPODSYHRH-DLBZAZTESA-N 2 2 350.463 0.989 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052334 855527515 /nfs/dbraw/zinc/52/75/15/855527515.db2.gz UJPHTTMVRVVLAP-HRCADAONSA-N 2 2 352.479 0.038 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052334 855527522 /nfs/dbraw/zinc/52/75/22/855527522.db2.gz UJPHTTMVRVVLAP-HRCADAONSA-N 2 2 352.479 0.038 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1)OC ZINC001219067279 855535075 /nfs/dbraw/zinc/53/50/75/855535075.db2.gz OSDWTOHVCWQQOX-YESZJQIVSA-N 2 2 350.463 1.000 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1)OC ZINC001219067279 855535077 /nfs/dbraw/zinc/53/50/77/855535077.db2.gz OSDWTOHVCWQQOX-YESZJQIVSA-N 2 2 350.463 1.000 20 0 FCADLP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219565373 855717043 /nfs/dbraw/zinc/71/70/43/855717043.db2.gz DNZIYGVKBDZOKP-WCFLWFBJSA-N 2 2 350.854 0.165 20 0 FCADLP [NH3+]C1(C(=O)N[C@H](CO)[C@H](O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001219580093 855721750 /nfs/dbraw/zinc/72/17/50/855721750.db2.gz JPPUNBZCFASCLZ-CHWSQXEVSA-N 2 2 372.263 0.041 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC001219610021 855733139 /nfs/dbraw/zinc/73/31/39/855733139.db2.gz JSYWAKJIFYWHIG-DOMZBBRYSA-N 2 2 359.348 0.858 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694995 855774608 /nfs/dbraw/zinc/77/46/08/855774608.db2.gz PBTKYSVKRKKNLW-XGUBFFRZSA-N 2 2 374.551 0.045 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694995 855774613 /nfs/dbraw/zinc/77/46/13/855774613.db2.gz PBTKYSVKRKKNLW-XGUBFFRZSA-N 2 2 374.551 0.045 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1O ZINC001219732113 855790006 /nfs/dbraw/zinc/79/00/06/855790006.db2.gz NTQPPFXJHMGSKI-ZACQAIPSSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1O ZINC001219732113 855790012 /nfs/dbraw/zinc/79/00/12/855790012.db2.gz NTQPPFXJHMGSKI-ZACQAIPSSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1O ZINC001219732193 855791325 /nfs/dbraw/zinc/79/13/25/855791325.db2.gz PVIOSJHJCVPSIX-UAGQMJEPSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1O ZINC001219732193 855791333 /nfs/dbraw/zinc/79/13/33/855791333.db2.gz PVIOSJHJCVPSIX-UAGQMJEPSA-N 2 2 352.454 0.731 20 0 FCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccc(Br)cc1 ZINC001219764751 855802699 /nfs/dbraw/zinc/80/26/99/855802699.db2.gz KZRYKRJNESLIRJ-BYCMXARLSA-N 2 2 367.291 0.859 20 0 FCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccc(Br)cc1 ZINC001219764751 855802707 /nfs/dbraw/zinc/80/27/07/855802707.db2.gz KZRYKRJNESLIRJ-BYCMXARLSA-N 2 2 367.291 0.859 20 0 FCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccc(Br)cc1 ZINC001219764751 855802712 /nfs/dbraw/zinc/80/27/12/855802712.db2.gz KZRYKRJNESLIRJ-BYCMXARLSA-N 2 2 367.291 0.859 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803586 855820268 /nfs/dbraw/zinc/82/02/68/855820268.db2.gz ACPZEJUVLNIUKA-KEYYUXOJSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219803586 855820275 /nfs/dbraw/zinc/82/02/75/855820275.db2.gz ACPZEJUVLNIUKA-KEYYUXOJSA-N 2 2 350.463 0.547 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811889 855827829 /nfs/dbraw/zinc/82/78/29/855827829.db2.gz AVVOAVBLGHCADD-SJORKVTESA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219811889 855827843 /nfs/dbraw/zinc/82/78/43/855827843.db2.gz AVVOAVBLGHCADD-SJORKVTESA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811889 855827851 /nfs/dbraw/zinc/82/78/51/855827851.db2.gz AVVOAVBLGHCADD-SJORKVTESA-N 2 2 350.463 0.691 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811889 855827868 /nfs/dbraw/zinc/82/78/68/855827868.db2.gz AVVOAVBLGHCADD-SJORKVTESA-N 2 2 350.463 0.691 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896759 855869607 /nfs/dbraw/zinc/86/96/07/855869607.db2.gz IBQUMUMZYXRWQS-MCIONIFRSA-N 2 2 356.511 0.181 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896759 855869609 /nfs/dbraw/zinc/86/96/09/855869609.db2.gz IBQUMUMZYXRWQS-MCIONIFRSA-N 2 2 356.511 0.181 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896759 855869615 /nfs/dbraw/zinc/86/96/15/855869615.db2.gz IBQUMUMZYXRWQS-MCIONIFRSA-N 2 2 356.511 0.181 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@@H]1O ZINC001219896759 855869618 /nfs/dbraw/zinc/86/96/18/855869618.db2.gz IBQUMUMZYXRWQS-MCIONIFRSA-N 2 2 356.511 0.181 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908791 855876133 /nfs/dbraw/zinc/87/61/33/855876133.db2.gz SCUOULQVLFFQIF-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908791 855876136 /nfs/dbraw/zinc/87/61/36/855876136.db2.gz SCUOULQVLFFQIF-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP COc1ccc(O[C@@H](C)CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001219947876 855892022 /nfs/dbraw/zinc/89/20/22/855892022.db2.gz GKHZVHFGYZPJLC-GUYCJALGSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220051418 855933496 /nfs/dbraw/zinc/93/34/96/855933496.db2.gz ACJQWOYENQWFCL-KFWWJZLASA-N 2 2 350.463 0.329 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220051418 855933500 /nfs/dbraw/zinc/93/35/00/855933500.db2.gz ACJQWOYENQWFCL-KFWWJZLASA-N 2 2 350.463 0.329 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220105669 855963936 /nfs/dbraw/zinc/96/39/36/855963936.db2.gz GVVQTZVKFLESEO-IKGGRYGDSA-N 2 2 350.463 0.376 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@@H]1O ZINC001220105669 855963943 /nfs/dbraw/zinc/96/39/43/855963943.db2.gz GVVQTZVKFLESEO-IKGGRYGDSA-N 2 2 350.463 0.376 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220273450 856038941 /nfs/dbraw/zinc/03/89/41/856038941.db2.gz LIQGRVLOBUXZEO-PMPSAXMXSA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@@H]1O ZINC001220273450 856038947 /nfs/dbraw/zinc/03/89/47/856038947.db2.gz LIQGRVLOBUXZEO-PMPSAXMXSA-N 2 2 357.401 0.111 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220297336 856050736 /nfs/dbraw/zinc/05/07/36/856050736.db2.gz WMMCDJXEHFTXJC-HLLBOEOZSA-N 2 2 350.463 0.338 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C2)n1 ZINC001220297336 856050744 /nfs/dbraw/zinc/05/07/44/856050744.db2.gz WMMCDJXEHFTXJC-HLLBOEOZSA-N 2 2 350.463 0.338 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518545 856163372 /nfs/dbraw/zinc/16/33/72/856163372.db2.gz HJWWRLWORTXQTA-XKQJLSEDSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518545 856163376 /nfs/dbraw/zinc/16/33/76/856163376.db2.gz HJWWRLWORTXQTA-XKQJLSEDSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518545 856163380 /nfs/dbraw/zinc/16/33/80/856163380.db2.gz HJWWRLWORTXQTA-XKQJLSEDSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518545 856163384 /nfs/dbraw/zinc/16/33/84/856163384.db2.gz HJWWRLWORTXQTA-XKQJLSEDSA-N 2 2 350.463 0.566 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220578496 856192428 /nfs/dbraw/zinc/19/24/28/856192428.db2.gz FDBFFMPNCRLGNC-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220578496 856192437 /nfs/dbraw/zinc/19/24/37/856192437.db2.gz FDBFFMPNCRLGNC-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccc(Br)cc1 ZINC001220607050 856203594 /nfs/dbraw/zinc/20/35/94/856203594.db2.gz HKGCFSPQIOYZBX-OSAQELSMSA-N 3 2 353.264 0.517 20 0 FCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccc(Br)cc1 ZINC001220608651 856204884 /nfs/dbraw/zinc/20/48/84/856204884.db2.gz XMAVYIMSPDSGEE-SCUASFONSA-N 3 2 353.264 0.515 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711141 856255666 /nfs/dbraw/zinc/25/56/66/856255666.db2.gz KYOSGVDDQLATAN-ZFWWWQNUSA-N 2 2 365.865 0.070 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001220768762 856291034 /nfs/dbraw/zinc/29/10/34/856291034.db2.gz ARSPPNQAPSDWMY-RDBSUJKOSA-N 2 2 352.435 0.166 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001220826277 856327892 /nfs/dbraw/zinc/32/78/92/856327892.db2.gz VWTXNHZVNWLKJU-CABCVRRESA-N 2 2 370.519 0.111 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001220826277 856327897 /nfs/dbraw/zinc/32/78/97/856327897.db2.gz VWTXNHZVNWLKJU-CABCVRRESA-N 2 2 370.519 0.111 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001220826277 856327905 /nfs/dbraw/zinc/32/79/05/856327905.db2.gz VWTXNHZVNWLKJU-CABCVRRESA-N 2 2 370.519 0.111 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001220826277 856327912 /nfs/dbraw/zinc/32/79/12/856327912.db2.gz VWTXNHZVNWLKJU-CABCVRRESA-N 2 2 370.519 0.111 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220888190 856359093 /nfs/dbraw/zinc/35/90/93/856359093.db2.gz FGGDHKJHZNXBJF-SJORKVTESA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220888190 856359102 /nfs/dbraw/zinc/35/91/02/856359102.db2.gz FGGDHKJHZNXBJF-SJORKVTESA-N 2 2 350.463 0.331 20 0 FCADLP C[C@H]([NH3+])c1ncc(C(=O)N[C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)s1 ZINC001221007137 856420292 /nfs/dbraw/zinc/42/02/92/856420292.db2.gz XEFJZSDPPOERFP-SRVKXCTJSA-N 2 2 353.492 0.882 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001221062667 856442317 /nfs/dbraw/zinc/44/23/17/856442317.db2.gz WNSIQIMHAHSPIB-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001221062667 856442327 /nfs/dbraw/zinc/44/23/27/856442327.db2.gz WNSIQIMHAHSPIB-KGLIPLIRSA-N 2 2 367.412 0.603 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091341 856457930 /nfs/dbraw/zinc/45/79/30/856457930.db2.gz KXNGTDOUODKJAU-BMFZPTHFSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091341 856457934 /nfs/dbraw/zinc/45/79/34/856457934.db2.gz KXNGTDOUODKJAU-BMFZPTHFSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091341 856457937 /nfs/dbraw/zinc/45/79/37/856457937.db2.gz KXNGTDOUODKJAU-BMFZPTHFSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091341 856457945 /nfs/dbraw/zinc/45/79/45/856457945.db2.gz KXNGTDOUODKJAU-BMFZPTHFSA-N 2 2 356.511 0.181 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091370 856458375 /nfs/dbraw/zinc/45/83/75/856458375.db2.gz LULFKJOUOVQVQR-ZACQAIPSSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091370 856458387 /nfs/dbraw/zinc/45/83/87/856458387.db2.gz LULFKJOUOVQVQR-ZACQAIPSSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091370 856458391 /nfs/dbraw/zinc/45/83/91/856458391.db2.gz LULFKJOUOVQVQR-ZACQAIPSSA-N 2 2 353.438 0.361 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O ZINC001221091370 856458398 /nfs/dbraw/zinc/45/83/98/856458398.db2.gz LULFKJOUOVQVQR-ZACQAIPSSA-N 2 2 353.438 0.361 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CC1 ZINC001221161208 856491531 /nfs/dbraw/zinc/49/15/31/856491531.db2.gz ARBCOHGBDFCZAL-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CC1 ZINC001221161208 856491538 /nfs/dbraw/zinc/49/15/38/856491538.db2.gz ARBCOHGBDFCZAL-IXDOHACOSA-N 2 2 350.463 0.640 20 0 FCADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221359039 856554392 /nfs/dbraw/zinc/55/43/92/856554392.db2.gz ZWVVZWUIHPAPLI-CVEARBPZSA-N 3 2 352.523 0.724 20 0 FCADLP Cn1ncc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(Br)c1=O ZINC001221401116 856557948 /nfs/dbraw/zinc/55/79/48/856557948.db2.gz CYWPYMHGZQRWPE-SNVBAGLBSA-N 2 2 366.219 0.754 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221587612 856612860 /nfs/dbraw/zinc/61/28/60/856612860.db2.gz AYSZHXCOWIMDHR-BZUAXINKSA-N 2 2 354.470 0.431 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221587612 856612867 /nfs/dbraw/zinc/61/28/67/856612867.db2.gz AYSZHXCOWIMDHR-BZUAXINKSA-N 2 2 354.470 0.431 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616175 856625181 /nfs/dbraw/zinc/62/51/81/856625181.db2.gz HEJIYKIKQMVEBU-NUJGCVRESA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616175 856625185 /nfs/dbraw/zinc/62/51/85/856625185.db2.gz HEJIYKIKQMVEBU-NUJGCVRESA-N 2 2 350.507 0.632 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664361 856644749 /nfs/dbraw/zinc/64/47/49/856644749.db2.gz QRSFMRHEQMBPCY-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664361 856644751 /nfs/dbraw/zinc/64/47/51/856644751.db2.gz QRSFMRHEQMBPCY-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664361 856644756 /nfs/dbraw/zinc/64/47/56/856644756.db2.gz QRSFMRHEQMBPCY-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664361 856644759 /nfs/dbraw/zinc/64/47/59/856644759.db2.gz QRSFMRHEQMBPCY-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001221668917 856646566 /nfs/dbraw/zinc/64/65/66/856646566.db2.gz ADHXAGKAQAKHNV-UHFFFAOYSA-N 2 2 351.451 0.372 20 0 FCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)[nH]1 ZINC001279304099 862820335 /nfs/dbraw/zinc/82/03/35/862820335.db2.gz WYHSSQZOVUXAPG-IRXDYDNUSA-N 2 2 350.463 0.638 20 0 FCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)[nH]1 ZINC001279304099 862820354 /nfs/dbraw/zinc/82/03/54/862820354.db2.gz WYHSSQZOVUXAPG-IRXDYDNUSA-N 2 2 350.463 0.638 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221711070 856659716 /nfs/dbraw/zinc/65/97/16/856659716.db2.gz XHLUSMAXVSLJJP-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221711070 856659720 /nfs/dbraw/zinc/65/97/20/856659720.db2.gz XHLUSMAXVSLJJP-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221776725 856678621 /nfs/dbraw/zinc/67/86/21/856678621.db2.gz AESVKPTYNWQUOP-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1)C1CC1 ZINC001221776725 856678628 /nfs/dbraw/zinc/67/86/28/856678628.db2.gz AESVKPTYNWQUOP-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791652 856685810 /nfs/dbraw/zinc/68/58/10/856685810.db2.gz WOUBUWCPMKPYJN-HZPDHXFCSA-N 2 2 359.536 0.684 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791652 856685813 /nfs/dbraw/zinc/68/58/13/856685813.db2.gz WOUBUWCPMKPYJN-HZPDHXFCSA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001221815829 856697376 /nfs/dbraw/zinc/69/73/76/856697376.db2.gz DGWJCBYUDSBGCC-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21)[NH+](C)C ZINC001221815829 856697377 /nfs/dbraw/zinc/69/73/77/856697377.db2.gz DGWJCBYUDSBGCC-IXDOHACOSA-N 2 2 350.507 0.776 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221919162 856732847 /nfs/dbraw/zinc/73/28/47/856732847.db2.gz BFICGBFVHBQTOF-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221919162 856732848 /nfs/dbraw/zinc/73/28/48/856732848.db2.gz BFICGBFVHBQTOF-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221919162 856732854 /nfs/dbraw/zinc/73/28/54/856732854.db2.gz BFICGBFVHBQTOF-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221919162 856732859 /nfs/dbraw/zinc/73/28/59/856732859.db2.gz BFICGBFVHBQTOF-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221919497 856734832 /nfs/dbraw/zinc/73/48/32/856734832.db2.gz RPABODDOFJFHMH-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCCOC)C[C@H]21 ZINC001221919497 856734834 /nfs/dbraw/zinc/73/48/34/856734834.db2.gz RPABODDOFJFHMH-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221919497 856734839 /nfs/dbraw/zinc/73/48/39/856734839.db2.gz RPABODDOFJFHMH-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCCOC)C[C@H]21 ZINC001221919497 856734841 /nfs/dbraw/zinc/73/48/41/856734841.db2.gz RPABODDOFJFHMH-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972979 856754660 /nfs/dbraw/zinc/75/46/60/856754660.db2.gz SEVSJURRDJOKMM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972979 856754666 /nfs/dbraw/zinc/75/46/66/856754666.db2.gz SEVSJURRDJOKMM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972979 856754671 /nfs/dbraw/zinc/75/46/71/856754671.db2.gz SEVSJURRDJOKMM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221972979 856754676 /nfs/dbraw/zinc/75/46/76/856754676.db2.gz SEVSJURRDJOKMM-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221973550 856754875 /nfs/dbraw/zinc/75/48/75/856754875.db2.gz CAVFVINKIOWCMR-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221973550 856754886 /nfs/dbraw/zinc/75/48/86/856754886.db2.gz CAVFVINKIOWCMR-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221973550 856754899 /nfs/dbraw/zinc/75/48/99/856754899.db2.gz CAVFVINKIOWCMR-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001221973550 856754905 /nfs/dbraw/zinc/75/49/05/856754905.db2.gz CAVFVINKIOWCMR-USXIJHARSA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001222049701 856784165 /nfs/dbraw/zinc/78/41/65/856784165.db2.gz HVJYWPYUDQADGY-IAGOWNOFSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001222049701 856784169 /nfs/dbraw/zinc/78/41/69/856784169.db2.gz HVJYWPYUDQADGY-IAGOWNOFSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001222049701 856784174 /nfs/dbraw/zinc/78/41/74/856784174.db2.gz HVJYWPYUDQADGY-IAGOWNOFSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C[C@H]21 ZINC001222049701 856784180 /nfs/dbraw/zinc/78/41/80/856784180.db2.gz HVJYWPYUDQADGY-IAGOWNOFSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053442 856788097 /nfs/dbraw/zinc/78/80/97/856788097.db2.gz QQUWQPJCSAFDJT-BZUAXINKSA-N 2 2 357.520 0.294 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053442 856788108 /nfs/dbraw/zinc/78/81/08/856788108.db2.gz QQUWQPJCSAFDJT-BZUAXINKSA-N 2 2 357.520 0.294 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053442 856788113 /nfs/dbraw/zinc/78/81/13/856788113.db2.gz QQUWQPJCSAFDJT-BZUAXINKSA-N 2 2 357.520 0.294 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001222053442 856788121 /nfs/dbraw/zinc/78/81/21/856788121.db2.gz QQUWQPJCSAFDJT-BZUAXINKSA-N 2 2 357.520 0.294 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001222054532 856789530 /nfs/dbraw/zinc/78/95/30/856789530.db2.gz WRNCOHAMMOHLQQ-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001222054532 856789537 /nfs/dbraw/zinc/78/95/37/856789537.db2.gz WRNCOHAMMOHLQQ-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001222054532 856789541 /nfs/dbraw/zinc/78/95/41/856789541.db2.gz WRNCOHAMMOHLQQ-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1)C1CC1 ZINC001222054532 856789547 /nfs/dbraw/zinc/78/95/47/856789547.db2.gz WRNCOHAMMOHLQQ-NVXWUHKLSA-N 2 2 350.507 0.870 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001222848544 856879856 /nfs/dbraw/zinc/87/98/56/856879856.db2.gz LGYLNAKJBRZZPY-WBVHZDCISA-N 2 2 350.463 0.928 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001222848544 856879862 /nfs/dbraw/zinc/87/98/62/856879862.db2.gz LGYLNAKJBRZZPY-WBVHZDCISA-N 2 2 350.463 0.928 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001222848544 856879865 /nfs/dbraw/zinc/87/98/65/856879865.db2.gz LGYLNAKJBRZZPY-WBVHZDCISA-N 2 2 350.463 0.928 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001222848544 856879869 /nfs/dbraw/zinc/87/98/69/856879869.db2.gz LGYLNAKJBRZZPY-WBVHZDCISA-N 2 2 350.463 0.928 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)s1 ZINC001223916424 856950871 /nfs/dbraw/zinc/95/08/71/856950871.db2.gz HKYGWOZCKAEKLR-CABCVRRESA-N 2 2 367.519 0.848 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)COCC[NH+](C)C)C[C@@H]32)s1 ZINC001223916424 856950879 /nfs/dbraw/zinc/95/08/79/856950879.db2.gz HKYGWOZCKAEKLR-CABCVRRESA-N 2 2 367.519 0.848 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036141 856957835 /nfs/dbraw/zinc/95/78/35/856957835.db2.gz DMVPENJVJLWUGP-OIISXLGYSA-N 2 2 350.463 0.283 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001224036141 856957845 /nfs/dbraw/zinc/95/78/45/856957845.db2.gz DMVPENJVJLWUGP-OIISXLGYSA-N 2 2 350.463 0.283 20 0 FCADLP COC[C@@H](O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001224600483 856991354 /nfs/dbraw/zinc/99/13/54/856991354.db2.gz UVUSKVAQSHNORB-ARFHVFGLSA-N 2 2 350.463 0.359 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC3CS(=O)(=O)C3)CC2)CC1 ZINC001225640077 857052036 /nfs/dbraw/zinc/05/20/36/857052036.db2.gz OFXPEKIIPYICQH-UHFFFAOYSA-N 2 2 372.535 0.279 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953813 857186592 /nfs/dbraw/zinc/18/65/92/857186592.db2.gz LITXUWGIVPPFLT-IJEWVQPXSA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953813 857186598 /nfs/dbraw/zinc/18/65/98/857186598.db2.gz LITXUWGIVPPFLT-IJEWVQPXSA-N 2 2 354.495 0.201 20 0 FCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001228341848 857205161 /nfs/dbraw/zinc/20/51/61/857205161.db2.gz NLBOTMFLZVISFP-OAGGEKHMSA-N 2 2 351.451 0.120 20 0 FCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001228341848 857205164 /nfs/dbraw/zinc/20/51/64/857205164.db2.gz NLBOTMFLZVISFP-OAGGEKHMSA-N 2 2 351.451 0.120 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccccc2NS(C)(=O)=O)CCC1=O ZINC001235140075 857420320 /nfs/dbraw/zinc/42/03/20/857420320.db2.gz JPVUKOFERUAANR-UHFFFAOYSA-N 2 2 368.503 0.654 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2NS(C)(=O)=O)CCC1=O ZINC001235140075 857420324 /nfs/dbraw/zinc/42/03/24/857420324.db2.gz JPVUKOFERUAANR-UHFFFAOYSA-N 2 2 368.503 0.654 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(CC1=CS[C@H]([NH3+])N1)C2 ZINC001235278492 857420773 /nfs/dbraw/zinc/42/07/73/857420773.db2.gz XUCHLMSNLLEFCK-JHJVBQTASA-N 2 2 366.409 0.424 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235723034 857431221 /nfs/dbraw/zinc/43/12/21/857431221.db2.gz NZLZYRUBKXVCPW-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235723034 857431223 /nfs/dbraw/zinc/43/12/23/857431223.db2.gz NZLZYRUBKXVCPW-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235723034 857431229 /nfs/dbraw/zinc/43/12/29/857431229.db2.gz NZLZYRUBKXVCPW-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235723034 857431231 /nfs/dbraw/zinc/43/12/31/857431231.db2.gz NZLZYRUBKXVCPW-OWCLPIDISA-N 2 2 354.495 0.107 20 0 FCADLP C[Si](C)(C)c1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310600 857438906 /nfs/dbraw/zinc/43/89/06/857438906.db2.gz IPVCLDAVUHNONW-UHFFFAOYSA-N 3 2 350.583 0.848 20 0 FCADLP C[Si](C)(C)c1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310600 857438908 /nfs/dbraw/zinc/43/89/08/857438908.db2.gz IPVCLDAVUHNONW-UHFFFAOYSA-N 3 2 350.583 0.848 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001239074452 857504721 /nfs/dbraw/zinc/50/47/21/857504721.db2.gz FDVNETJOLAIGCK-UHFFFAOYSA-N 2 2 359.517 0.703 20 0 FCADLP [NH3+]CCS(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001239074452 857504729 /nfs/dbraw/zinc/50/47/29/857504729.db2.gz FDVNETJOLAIGCK-UHFFFAOYSA-N 2 2 359.517 0.703 20 0 FCADLP CCOC(=O)CC1(N[C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]CC1 ZINC001246324845 857573835 /nfs/dbraw/zinc/57/38/35/857573835.db2.gz HZYOGZBYXSMSNO-KBPBESRZSA-N 2 2 355.479 0.724 20 0 FCADLP CCOC(=O)CC1([NH2+][C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]CC1 ZINC001246324845 857573842 /nfs/dbraw/zinc/57/38/42/857573842.db2.gz HZYOGZBYXSMSNO-KBPBESRZSA-N 2 2 355.479 0.724 20 0 FCADLP C[C@H]1CC[C@H]([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698630 857590278 /nfs/dbraw/zinc/59/02/78/857590278.db2.gz CCVUWHBNJQUHPF-LVEJAMMSSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@H]1CC[C@H]([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)C[NH2+]1 ZINC001246698630 857590289 /nfs/dbraw/zinc/59/02/89/857590289.db2.gz CCVUWHBNJQUHPF-LVEJAMMSSA-N 2 2 351.491 0.998 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740856 857595471 /nfs/dbraw/zinc/59/54/71/857595471.db2.gz HXRJRSUQPCJFIY-AJNGGQMLSA-N 2 2 350.488 0.943 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C[NH2+]1 ZINC001246740856 857595478 /nfs/dbraw/zinc/59/54/78/857595478.db2.gz HXRJRSUQPCJFIY-AJNGGQMLSA-N 2 2 350.488 0.943 20 0 FCADLP O=S(=O)(c1ccccc1)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246791933 857601116 /nfs/dbraw/zinc/60/11/16/857601116.db2.gz SBVPRJNYXKQBBO-OAHLLOKOSA-N 2 2 350.488 0.087 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCNC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001251741919 857747358 /nfs/dbraw/zinc/74/73/58/857747358.db2.gz QPMSNOLGAYZGMD-GOEBONIOSA-N 2 2 351.495 0.323 20 0 FCADLP CN(C(=O)NC[C@@H]1CCCNC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001251741919 857747371 /nfs/dbraw/zinc/74/73/71/857747371.db2.gz QPMSNOLGAYZGMD-GOEBONIOSA-N 2 2 351.495 0.323 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001253187584 857870488 /nfs/dbraw/zinc/87/04/88/857870488.db2.gz ZMYCBBAZWGBDEA-MLHJIOFPSA-N 2 2 353.507 0.933 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001253187584 857870492 /nfs/dbraw/zinc/87/04/92/857870492.db2.gz ZMYCBBAZWGBDEA-MLHJIOFPSA-N 2 2 353.507 0.933 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC001253185890 857870534 /nfs/dbraw/zinc/87/05/34/857870534.db2.gz UHDFJISAIAZAQL-YLFCFFPRSA-N 2 2 355.479 0.332 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCO2)C[C@H]2OCC[C@H]21 ZINC001253185890 857870537 /nfs/dbraw/zinc/87/05/37/857870537.db2.gz UHDFJISAIAZAQL-YLFCFFPRSA-N 2 2 355.479 0.332 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@H]3CCCN(C)C3)CC2)C1 ZINC001255485469 858014817 /nfs/dbraw/zinc/01/48/17/858014817.db2.gz PMKCLJNGBSLQHO-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@H]3CCCN(C)C3)CC2)C1 ZINC001255485469 858014824 /nfs/dbraw/zinc/01/48/24/858014824.db2.gz PMKCLJNGBSLQHO-KRWDZBQOSA-N 2 2 352.523 0.583 20 0 FCADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256077629 858053238 /nfs/dbraw/zinc/05/32/38/858053238.db2.gz RXAPKSZPUHOUBF-QGZVFWFLSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(Cn1cc(Cl)cn1)N1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001279615492 862980740 /nfs/dbraw/zinc/98/07/40/862980740.db2.gz LZIDZGFNZOISNY-IYBDPMFKSA-N 2 2 367.881 0.448 20 0 FCADLP O=C(Cn1cc(Cl)cn1)N1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001279615492 862980744 /nfs/dbraw/zinc/98/07/44/862980744.db2.gz LZIDZGFNZOISNY-IYBDPMFKSA-N 2 2 367.881 0.448 20 0 FCADLP O=S1(=O)CCC([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001256384467 858075371 /nfs/dbraw/zinc/07/53/71/858075371.db2.gz NTNUNTYKVHGVEU-UHFFFAOYSA-N 2 2 352.504 0.914 20 0 FCADLP O=S1(=O)CCC([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001256384467 858075377 /nfs/dbraw/zinc/07/53/77/858075377.db2.gz NTNUNTYKVHGVEU-UHFFFAOYSA-N 2 2 352.504 0.914 20 0 FCADLP CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256695380 858096545 /nfs/dbraw/zinc/09/65/45/858096545.db2.gz YMNPHSJFXMPMCU-GPANFISMSA-N 2 2 353.463 0.383 20 0 FCADLP CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256695380 858096549 /nfs/dbraw/zinc/09/65/49/858096549.db2.gz YMNPHSJFXMPMCU-GPANFISMSA-N 2 2 353.463 0.383 20 0 FCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257602365 858155021 /nfs/dbraw/zinc/15/50/21/858155021.db2.gz RTEXLKXSVMOUQD-SYQHCUMBSA-N 2 2 357.451 0.633 20 0 FCADLP COC(=O)CCS(=O)(=O)CC[C@@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257931322 858168086 /nfs/dbraw/zinc/16/80/86/858168086.db2.gz DVOHHWKTGKLDOV-GFCCVEGCSA-N 2 2 357.476 0.809 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC001267217730 859500672 /nfs/dbraw/zinc/50/06/72/859500672.db2.gz OBPBZRPQQNETAD-RBSFLKMASA-N 2 2 368.503 0.396 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC001267217730 859500678 /nfs/dbraw/zinc/50/06/78/859500678.db2.gz OBPBZRPQQNETAD-RBSFLKMASA-N 2 2 368.503 0.396 20 0 FCADLP C[N@@H+]1CCC12CN(C(=O)C1(NC(=O)OC(C)(C)C)CC[NH+](C)CC1)C2 ZINC001273870820 860623234 /nfs/dbraw/zinc/62/32/34/860623234.db2.gz RYBMLNKYCRLPAS-UHFFFAOYSA-N 2 2 352.479 0.892 20 0 FCADLP C[N@H+]1CCC12CN(C(=O)C1(NC(=O)OC(C)(C)C)CC[NH+](C)CC1)C2 ZINC001273870820 860623246 /nfs/dbraw/zinc/62/32/46/860623246.db2.gz RYBMLNKYCRLPAS-UHFFFAOYSA-N 2 2 352.479 0.892 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CCSC23C[NH+](Cc2cccnn2)C3)CC1 ZINC001279854888 863099874 /nfs/dbraw/zinc/09/98/74/863099874.db2.gz WGKMWYUAHSJQIX-MRXNPFEDSA-N 2 2 361.515 0.995 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]3CC2)n(C)n1 ZINC001280057951 863228794 /nfs/dbraw/zinc/22/87/94/863228794.db2.gz JFJADPUYTBFKLX-IYBDPMFKSA-N 2 2 354.520 0.917 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](CCS(C)(=O)=O)C[C@H]3CC2)n(C)n1 ZINC001280057951 863228806 /nfs/dbraw/zinc/22/88/06/863228806.db2.gz JFJADPUYTBFKLX-IYBDPMFKSA-N 2 2 354.520 0.917 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]3CC2)n(C)n1 ZINC001280057951 863228816 /nfs/dbraw/zinc/22/88/16/863228816.db2.gz JFJADPUYTBFKLX-IYBDPMFKSA-N 2 2 354.520 0.917 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]3CC2)n(C)n1 ZINC001280057951 863228832 /nfs/dbraw/zinc/22/88/32/863228832.db2.gz JFJADPUYTBFKLX-IYBDPMFKSA-N 2 2 354.520 0.917 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001280058694 863230709 /nfs/dbraw/zinc/23/07/09/863230709.db2.gz QXPIHBZXWQGFCB-HZPDHXFCSA-N 2 2 369.531 0.486 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001280058694 863230716 /nfs/dbraw/zinc/23/07/16/863230716.db2.gz QXPIHBZXWQGFCB-HZPDHXFCSA-N 2 2 369.531 0.486 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CC[NH+](C)CC2)c1 ZINC001280070500 863239779 /nfs/dbraw/zinc/23/97/79/863239779.db2.gz AKRIFJISWHCBOW-GJZGRUSLSA-N 2 2 353.492 0.352 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C2CC[NH+](C)CC2)c1 ZINC001280070500 863239795 /nfs/dbraw/zinc/23/97/95/863239795.db2.gz AKRIFJISWHCBOW-GJZGRUSLSA-N 2 2 353.492 0.352 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C2CC[NH+](C)CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280071247 863242553 /nfs/dbraw/zinc/24/25/53/863242553.db2.gz OFCQTMDUMYOJEM-LJQANCHMSA-N 3 2 351.539 0.299 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C2CC[NH+](C)CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280071247 863242561 /nfs/dbraw/zinc/24/25/61/863242561.db2.gz OFCQTMDUMYOJEM-LJQANCHMSA-N 3 2 351.539 0.299 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280080209 863251390 /nfs/dbraw/zinc/25/13/90/863251390.db2.gz CXBFXXMLMOTUID-BZSNNMDCSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001280080209 863251404 /nfs/dbraw/zinc/25/14/04/863251404.db2.gz CXBFXXMLMOTUID-BZSNNMDCSA-N 2 2 351.491 0.807 20 0 FCADLP CCOC(=O)C[N@@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280130769 863280844 /nfs/dbraw/zinc/28/08/44/863280844.db2.gz LFMFZDHUBCOPHH-BMFZPTHFSA-N 2 2 353.463 0.239 20 0 FCADLP CCOC(=O)C[N@H+]1C[C@H]2C[C@H](CC(=O)NC3CC[NH+](C)CC3)O[C@H]2C1 ZINC001280130769 863280855 /nfs/dbraw/zinc/28/08/55/863280855.db2.gz LFMFZDHUBCOPHH-BMFZPTHFSA-N 2 2 353.463 0.239 20 0 FCADLP CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H](C)[NH+](C)C ZINC001297078922 866005386 /nfs/dbraw/zinc/00/53/86/866005386.db2.gz HINVNPXJOJEISY-HNNXBMFYSA-N 2 2 354.499 0.533 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814914 866697643 /nfs/dbraw/zinc/69/76/43/866697643.db2.gz MZLWXSBDCWOMFW-ULQDDVLXSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC001350814914 866697651 /nfs/dbraw/zinc/69/76/51/866697651.db2.gz MZLWXSBDCWOMFW-ULQDDVLXSA-N 2 2 355.527 0.277 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001351786636 866968845 /nfs/dbraw/zinc/96/88/45/866968845.db2.gz GNCUKLCBYMIHFI-JQHSSLGASA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001351786636 866968859 /nfs/dbraw/zinc/96/88/59/866968859.db2.gz GNCUKLCBYMIHFI-JQHSSLGASA-N 2 2 351.539 0.994 20 0 FCADLP COC[C@@]1(CO)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015989 867135074 /nfs/dbraw/zinc/13/50/74/867135074.db2.gz QQSXMRDFXKFRIF-YJBOKZPZSA-N 2 2 354.495 0.195 20 0 FCADLP COC[C@@]1(CO)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015989 867135084 /nfs/dbraw/zinc/13/50/84/867135084.db2.gz QQSXMRDFXKFRIF-YJBOKZPZSA-N 2 2 354.495 0.195 20 0 FCADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001353327830 867398106 /nfs/dbraw/zinc/39/81/06/867398106.db2.gz KFIPZPYGJFARAZ-RDTXWAMCSA-N 2 2 351.447 0.213 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001353508111 867439562 /nfs/dbraw/zinc/43/95/62/867439562.db2.gz WBFJTBZXUKHXGC-LBPRGKRZSA-N 2 2 353.492 0.732 20 0 FCADLP CC(C)(O)[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001353518226 867442577 /nfs/dbraw/zinc/44/25/77/867442577.db2.gz NXBHXMHUMNSHJO-MRXNPFEDSA-N 2 2 351.447 0.112 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSc3cccc[n+]3[O-])C2)CC1 ZINC001318429314 867663794 /nfs/dbraw/zinc/66/37/94/867663794.db2.gz YOYYOIBKZSIZRF-AWEZNQCLSA-N 2 2 350.488 0.697 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSc3cccc[n+]3[O-])C2)CC1 ZINC001318429314 867663806 /nfs/dbraw/zinc/66/38/06/867663806.db2.gz YOYYOIBKZSIZRF-AWEZNQCLSA-N 2 2 350.488 0.697 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CN1CC[NH+]1CCOCC1 ZINC001356610966 868033129 /nfs/dbraw/zinc/03/31/29/868033129.db2.gz XTZVCOXTKPDFAK-DLBZAZTESA-N 2 2 351.422 0.382 20 0 FCADLP CC(=O)N1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001321590882 868528324 /nfs/dbraw/zinc/52/83/24/868528324.db2.gz XRMHGXSOULGBST-UHFFFAOYSA-N 2 2 353.511 0.665 20 0 FCADLP CC(=O)N1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001321590882 868528331 /nfs/dbraw/zinc/52/83/31/868528331.db2.gz XRMHGXSOULGBST-UHFFFAOYSA-N 2 2 353.511 0.665 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC(F)(F)F)C2)CC1 ZINC001322031174 868714436 /nfs/dbraw/zinc/71/44/36/868714436.db2.gz SXPNWOBBCDHAFN-NSHDSACASA-N 2 2 350.385 0.340 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC(F)(F)F)C2)CC1 ZINC001322031174 868714440 /nfs/dbraw/zinc/71/44/40/868714440.db2.gz SXPNWOBBCDHAFN-NSHDSACASA-N 2 2 350.385 0.340 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725292 868921440 /nfs/dbraw/zinc/92/14/40/868921440.db2.gz SWXUKUCVACDJEL-CABCVRRESA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725292 868921449 /nfs/dbraw/zinc/92/14/49/868921449.db2.gz SWXUKUCVACDJEL-CABCVRRESA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777932 868942388 /nfs/dbraw/zinc/94/23/88/868942388.db2.gz CJNINFXTLHBTIV-STQMWFEESA-N 2 2 358.433 0.575 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001322777932 868942392 /nfs/dbraw/zinc/94/23/92/868942392.db2.gz CJNINFXTLHBTIV-STQMWFEESA-N 2 2 358.433 0.575 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC001322812188 868955995 /nfs/dbraw/zinc/95/59/95/868955995.db2.gz RTRQVOJFYKMVJZ-AWEZNQCLSA-N 2 2 364.515 0.633 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC001322812188 868956002 /nfs/dbraw/zinc/95/60/02/868956002.db2.gz RTRQVOJFYKMVJZ-AWEZNQCLSA-N 2 2 364.515 0.633 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC001325548801 869930157 /nfs/dbraw/zinc/93/01/57/869930157.db2.gz CLYUFKNZVKMMGK-AWEZNQCLSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC001325548801 869930166 /nfs/dbraw/zinc/93/01/66/869930166.db2.gz CLYUFKNZVKMMGK-AWEZNQCLSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1SCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001326401768 870297217 /nfs/dbraw/zinc/29/72/17/870297217.db2.gz OEWXCKGKPWPUMW-CJNGLKHVSA-N 2 2 368.547 0.671 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326551802 870379644 /nfs/dbraw/zinc/37/96/44/870379644.db2.gz LHOLFKZJIBVWFY-ZBFHGGJFSA-N 2 2 354.470 0.574 20 0 FCADLP CN(C(=O)C(=O)N1CCC[C@@H](F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326551802 870379656 /nfs/dbraw/zinc/37/96/56/870379656.db2.gz LHOLFKZJIBVWFY-ZBFHGGJFSA-N 2 2 354.470 0.574 20 0 FCADLP [NH3+]C[C@H](O)CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001343543429 870479983 /nfs/dbraw/zinc/47/99/83/870479983.db2.gz PGTQPRFECFDKLW-OAHLLOKOSA-N 2 2 365.865 0.732 20 0 FCADLP [NH3+]C[C@H](O)CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001343543429 870479995 /nfs/dbraw/zinc/47/99/95/870479995.db2.gz PGTQPRFECFDKLW-OAHLLOKOSA-N 2 2 365.865 0.732 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3SCCS3)C2)CC1 ZINC001327988511 871171407 /nfs/dbraw/zinc/17/14/07/871171407.db2.gz QQGLHRXZVOULDD-GFCCVEGCSA-N 2 2 372.560 0.193 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3SCCS3)C2)CC1 ZINC001327988511 871171412 /nfs/dbraw/zinc/17/14/12/871171412.db2.gz QQGLHRXZVOULDD-GFCCVEGCSA-N 2 2 372.560 0.193 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@]4(CCOC4=O)C3)C2)CC1 ZINC001346061713 871626121 /nfs/dbraw/zinc/62/61/21/871626121.db2.gz VJIILRNFASWGTL-KBXCAEBGSA-N 2 2 350.463 0.504 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@]4(CCOC4=O)C3)C2)CC1 ZINC001346061713 871626123 /nfs/dbraw/zinc/62/61/23/871626123.db2.gz VJIILRNFASWGTL-KBXCAEBGSA-N 2 2 350.463 0.504 20 0 FCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346160460 871677176 /nfs/dbraw/zinc/67/71/76/871677176.db2.gz SCSMUZIWJOXDCZ-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346160460 871677182 /nfs/dbraw/zinc/67/71/82/871677182.db2.gz SCSMUZIWJOXDCZ-CVEARBPZSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001346289760 871753864 /nfs/dbraw/zinc/75/38/64/871753864.db2.gz ZMTSXGJOTWGIBE-ARFHVFGLSA-N 2 2 354.495 0.554 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425403 871833949 /nfs/dbraw/zinc/83/39/49/871833949.db2.gz GCVRIVRYYIJARB-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC001346425403 871833973 /nfs/dbraw/zinc/83/39/73/871833973.db2.gz GCVRIVRYYIJARB-IRXDYDNUSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC001346521498 871882132 /nfs/dbraw/zinc/88/21/32/871882132.db2.gz YAGMPDRWSQJGPW-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606090 871930289 /nfs/dbraw/zinc/93/02/89/871930289.db2.gz JVJZUVIIEIDBCV-YYIAUSFCSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[NH+](C)CCN1C ZINC001346606090 871930306 /nfs/dbraw/zinc/93/03/06/871930306.db2.gz JVJZUVIIEIDBCV-YYIAUSFCSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001346606090 871930323 /nfs/dbraw/zinc/93/03/23/871930323.db2.gz JVJZUVIIEIDBCV-YYIAUSFCSA-N 2 2 355.527 0.371 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001346606090 871930341 /nfs/dbraw/zinc/93/03/41/871930341.db2.gz JVJZUVIIEIDBCV-YYIAUSFCSA-N 2 2 355.527 0.371 20 0 FCADLP CSC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001331241075 873027413 /nfs/dbraw/zinc/02/74/13/873027413.db2.gz YXPVDCOWVKHDNQ-CQSZACIVSA-N 2 2 368.547 0.625 20 0 FCADLP CSC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001331241075 873027434 /nfs/dbraw/zinc/02/74/34/873027434.db2.gz YXPVDCOWVKHDNQ-CQSZACIVSA-N 2 2 368.547 0.625 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001331608199 873161680 /nfs/dbraw/zinc/16/16/80/873161680.db2.gz YIWVVZWTNLOZRH-OCCSQVGLSA-N 2 2 357.524 0.061 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001331608199 873161682 /nfs/dbraw/zinc/16/16/82/873161682.db2.gz YIWVVZWTNLOZRH-OCCSQVGLSA-N 2 2 357.524 0.061 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158336 873396160 /nfs/dbraw/zinc/39/61/60/873396160.db2.gz XTFDJOGOFZNRDX-VYDXJSESSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001332158336 873396174 /nfs/dbraw/zinc/39/61/74/873396174.db2.gz XTFDJOGOFZNRDX-VYDXJSESSA-N 2 2 350.507 0.918 20 0 FCADLP CCCNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825326866 947154730 /nfs/dbraw/zinc/15/47/30/947154730.db2.gz GTAMUMBCLJFKRN-UHFFFAOYSA-N 2 2 357.462 0.947 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNc2nc3ccccn3c2-c2nn[nH]n2)CC1 ZINC000825854875 947347395 /nfs/dbraw/zinc/34/73/95/947347395.db2.gz CURKEGSXHCMQQI-UHFFFAOYSA-N 2 2 355.450 0.952 20 0 FCADLP O=C1NCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826482649 948395724 /nfs/dbraw/zinc/39/57/24/948395724.db2.gz MAFNTTIEXDKPAZ-INIZCTEOSA-N 2 2 355.446 0.699 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574942413 949355238 /nfs/dbraw/zinc/35/52/38/949355238.db2.gz NUTCDZGEVMLHRV-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574942413 949355259 /nfs/dbraw/zinc/35/52/59/949355259.db2.gz NUTCDZGEVMLHRV-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574945794 949420594 /nfs/dbraw/zinc/42/05/94/949420594.db2.gz OFSLNJPEBJNDJF-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574945794 949420604 /nfs/dbraw/zinc/42/06/04/949420604.db2.gz OFSLNJPEBJNDJF-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708275 949489986 /nfs/dbraw/zinc/48/99/86/949489986.db2.gz VEYUXXJMZDQRPG-WFASDCNBSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574708275 949490002 /nfs/dbraw/zinc/49/00/02/949490002.db2.gz VEYUXXJMZDQRPG-WFASDCNBSA-N 2 2 358.450 0.427 20 0 FCADLP C[C@H](CC(=O)N(C)C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574715650 949658914 /nfs/dbraw/zinc/65/89/14/949658914.db2.gz JYEXXKMFHOEVSY-QWHCGFSZSA-N 2 2 369.433 0.790 20 0 FCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574730390 950029702 /nfs/dbraw/zinc/02/97/02/950029702.db2.gz RVECXNMAHSSBKT-NSHDSACASA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574731603 950059289 /nfs/dbraw/zinc/05/92/89/950059289.db2.gz XZTKUSPXESNANC-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574492073 950063996 /nfs/dbraw/zinc/06/39/96/950063996.db2.gz IUABREOMWYOIRA-STQMWFEESA-N 2 2 367.417 0.804 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574733197 950101721 /nfs/dbraw/zinc/10/17/21/950101721.db2.gz VIUQUJQDEAEZKG-NSHDSACASA-N 2 2 360.447 0.761 20 0 FCADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907939 950345329 /nfs/dbraw/zinc/34/53/29/950345329.db2.gz RLOSOGXVPCZNAJ-ZWNOBZJWSA-N 2 2 372.458 0.973 20 0 FCADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001575910397 950419013 /nfs/dbraw/zinc/41/90/13/950419013.db2.gz KTDYULSXBLGSQV-CJNGLKHVSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205568 950524189 /nfs/dbraw/zinc/52/41/89/950524189.db2.gz AVKYTFUBWOKGKM-KBPBESRZSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576205568 950524204 /nfs/dbraw/zinc/52/42/04/950524204.db2.gz AVKYTFUBWOKGKM-KBPBESRZSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206645 950578885 /nfs/dbraw/zinc/57/88/85/950578885.db2.gz YMPJBLMWZRKGAB-UONOGXRCSA-N 2 2 370.461 0.546 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576206645 950578900 /nfs/dbraw/zinc/57/89/00/950578900.db2.gz YMPJBLMWZRKGAB-UONOGXRCSA-N 2 2 370.461 0.546 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576207400 950593512 /nfs/dbraw/zinc/59/35/12/950593512.db2.gz HEUMWQFPBDVCHB-CHWSQXEVSA-N 2 2 356.434 0.298 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576207400 950593518 /nfs/dbraw/zinc/59/35/18/950593518.db2.gz HEUMWQFPBDVCHB-CHWSQXEVSA-N 2 2 356.434 0.298 20 0 FCADLP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575927881 950759724 /nfs/dbraw/zinc/75/97/24/950759724.db2.gz VPKQCCMNZXSHMR-DOMZBBRYSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575927881 950759735 /nfs/dbraw/zinc/75/97/35/950759735.db2.gz VPKQCCMNZXSHMR-DOMZBBRYSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571032018 951541185 /nfs/dbraw/zinc/54/11/85/951541185.db2.gz IEEIGRWCPBPQOT-STQMWFEESA-N 2 2 367.417 0.544 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571037617 951632693 /nfs/dbraw/zinc/63/26/93/951632693.db2.gz NGENFWHMQGSWIU-IAQYHMDHSA-N 2 2 367.417 0.148 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575077545 951671143 /nfs/dbraw/zinc/67/11/43/951671143.db2.gz GLBNPNVEOXHAFD-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575082012 951728690 /nfs/dbraw/zinc/72/86/90/951728690.db2.gz UHSBFQZWAXJBJA-LLVKDONJSA-N 2 2 372.408 0.814 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575091194 951771725 /nfs/dbraw/zinc/77/17/25/951771725.db2.gz QBQALTHQIBOPHU-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575091196 951771737 /nfs/dbraw/zinc/77/17/37/951771737.db2.gz QBQALTHQIBOPHU-NSHDSACASA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001575094715 951807307 /nfs/dbraw/zinc/80/73/07/951807307.db2.gz NZWYVOPZRUYTCZ-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575103069 951873397 /nfs/dbraw/zinc/87/33/97/951873397.db2.gz RQJPXIOUVDILEG-LLVKDONJSA-N 2 2 372.408 0.814 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078367 952128064 /nfs/dbraw/zinc/12/80/64/952128064.db2.gz PGHNOFOCKDFCMZ-MRXNPFEDSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078367 952128068 /nfs/dbraw/zinc/12/80/68/952128068.db2.gz PGHNOFOCKDFCMZ-MRXNPFEDSA-N 2 2 370.461 0.571 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078896 952134346 /nfs/dbraw/zinc/13/43/46/952134346.db2.gz XFIAOZZVHVGMSI-INIZCTEOSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571078896 952134350 /nfs/dbraw/zinc/13/43/50/952134350.db2.gz XFIAOZZVHVGMSI-INIZCTEOSA-N 2 2 370.461 0.831 20 0 FCADLP C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001575145249 952180127 /nfs/dbraw/zinc/18/01/27/952180127.db2.gz UGGOOVWMADBTSG-KRWDZBQOSA-N 2 2 367.417 0.277 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575146656 952196962 /nfs/dbraw/zinc/19/69/62/952196962.db2.gz MXEDGQBLQCJJER-CYBMUJFWSA-N 2 2 369.433 0.619 20 0 FCADLP COc1cc(C[NH+](C)CC(=O)N(C)C)cc(C[N@H+](C)CC(=O)N(C)C)c1 ZINC000292656232 214115029 /nfs/dbraw/zinc/11/50/29/214115029.db2.gz PLPIYBSCVYJPOA-UHFFFAOYSA-N 2 2 364.490 0.735 20 0 FCADLP COc1cc(C[NH+](C)CC(=O)N(C)C)cc(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000292656232 214115032 /nfs/dbraw/zinc/11/50/32/214115032.db2.gz PLPIYBSCVYJPOA-UHFFFAOYSA-N 2 2 364.490 0.735 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2COc3ccccc3[C@H]2O)CC1 ZINC000293115601 214146071 /nfs/dbraw/zinc/14/60/71/214146071.db2.gz VBEYBVPJXQZWRX-SJLPKXTDSA-N 2 2 362.474 0.806 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CC(N)=O)c3ccccc3)cn2)CC1 ZINC000293043519 214140964 /nfs/dbraw/zinc/14/09/64/214140964.db2.gz QXMPYFLQIZDXBT-KRWDZBQOSA-N 2 2 354.458 0.935 20 0 FCADLP C[NH+](C[C@H](O)C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000293455753 214174793 /nfs/dbraw/zinc/17/47/93/214174793.db2.gz WHMJYPWRMAUSGK-CQSZACIVSA-N 2 2 357.476 0.100 20 0 FCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000293455753 214174796 /nfs/dbraw/zinc/17/47/96/214174796.db2.gz WHMJYPWRMAUSGK-CQSZACIVSA-N 2 2 357.476 0.100 20 0 FCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000293455753 214174799 /nfs/dbraw/zinc/17/47/99/214174799.db2.gz WHMJYPWRMAUSGK-CQSZACIVSA-N 2 2 357.476 0.100 20 0 FCADLP C[NH+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000293455753 214174801 /nfs/dbraw/zinc/17/48/01/214174801.db2.gz WHMJYPWRMAUSGK-CQSZACIVSA-N 2 2 357.476 0.100 20 0 FCADLP C[C@H](O)CNc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc[nH+]1 ZINC000294425045 214244283 /nfs/dbraw/zinc/24/42/83/214244283.db2.gz OQTOUUWGZVBVRI-HNNXBMFYSA-N 2 2 362.478 0.404 20 0 FCADLP C[C@H](O)CNc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc[nH+]1 ZINC000294425045 214244285 /nfs/dbraw/zinc/24/42/85/214244285.db2.gz OQTOUUWGZVBVRI-HNNXBMFYSA-N 2 2 362.478 0.404 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294325405 214238400 /nfs/dbraw/zinc/23/84/00/214238400.db2.gz JCDBQWQFTGCVRE-CYBMUJFWSA-N 2 2 350.467 0.672 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000294325405 214238404 /nfs/dbraw/zinc/23/84/04/214238404.db2.gz JCDBQWQFTGCVRE-CYBMUJFWSA-N 2 2 350.467 0.672 20 0 FCADLP C[C@@H](O)CNc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc[nH+]1 ZINC000294387833 214241532 /nfs/dbraw/zinc/24/15/32/214241532.db2.gz MNJFFKHUEWOGNR-OAHLLOKOSA-N 2 2 372.477 0.684 20 0 FCADLP C[C@@H](O)CNc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]cn1 ZINC000294387833 214241535 /nfs/dbraw/zinc/24/15/35/214241535.db2.gz MNJFFKHUEWOGNR-OAHLLOKOSA-N 2 2 372.477 0.684 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000294553785 214253974 /nfs/dbraw/zinc/25/39/74/214253974.db2.gz BAIYKNOMYPHBKE-UHFFFAOYSA-N 2 2 372.473 0.677 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000294553785 214253977 /nfs/dbraw/zinc/25/39/77/214253977.db2.gz BAIYKNOMYPHBKE-UHFFFAOYSA-N 2 2 372.473 0.677 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000295215736 214284727 /nfs/dbraw/zinc/28/47/27/214284727.db2.gz QMULGTBCHHQXJR-CRAIPNDOSA-N 2 2 360.458 0.044 20 0 FCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283148 529830202 /nfs/dbraw/zinc/83/02/02/529830202.db2.gz GSPCXVUOZDYQOP-LJQANCHMSA-N 2 2 360.458 0.543 20 0 FCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283148 529830203 /nfs/dbraw/zinc/83/02/03/529830203.db2.gz GSPCXVUOZDYQOP-LJQANCHMSA-N 2 2 360.458 0.543 20 0 FCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188283148 529830204 /nfs/dbraw/zinc/83/02/04/529830204.db2.gz GSPCXVUOZDYQOP-LJQANCHMSA-N 2 2 360.458 0.543 20 0 FCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188283148 529830206 /nfs/dbraw/zinc/83/02/06/529830206.db2.gz GSPCXVUOZDYQOP-LJQANCHMSA-N 2 2 360.458 0.543 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000410632754 529903047 /nfs/dbraw/zinc/90/30/47/529903047.db2.gz QQRIKUCENPNSHQ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000410632754 529903048 /nfs/dbraw/zinc/90/30/48/529903048.db2.gz QQRIKUCENPNSHQ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000410900422 529918678 /nfs/dbraw/zinc/91/86/78/529918678.db2.gz QUDBGVCLDQKLBD-IAGOWNOFSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CCO)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410900422 529918679 /nfs/dbraw/zinc/91/86/79/529918679.db2.gz QUDBGVCLDQKLBD-IAGOWNOFSA-N 2 2 368.522 0.233 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000410632753 529903842 /nfs/dbraw/zinc/90/38/42/529903842.db2.gz QQRIKUCENPNSHQ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000410632753 529903843 /nfs/dbraw/zinc/90/38/43/529903843.db2.gz QQRIKUCENPNSHQ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000410708426 529910495 /nfs/dbraw/zinc/91/04/95/529910495.db2.gz BSYDXFPVGHKSNN-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000265526240 210158947 /nfs/dbraw/zinc/15/89/47/210158947.db2.gz IRPVEJIAZMUBDB-OAHLLOKOSA-N 2 2 362.478 0.913 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000265526240 210158951 /nfs/dbraw/zinc/15/89/51/210158951.db2.gz IRPVEJIAZMUBDB-OAHLLOKOSA-N 2 2 362.478 0.913 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000331493249 215005057 /nfs/dbraw/zinc/00/50/57/215005057.db2.gz RPFJZQLKRPKHHT-AWEZNQCLSA-N 2 2 354.520 0.283 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000331591751 215019937 /nfs/dbraw/zinc/01/99/37/215019937.db2.gz HDPICVNWLPMUCV-IKGGRYGDSA-N 2 2 365.522 0.842 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000331646103 215027913 /nfs/dbraw/zinc/02/79/13/215027913.db2.gz VNVFKPOJRMYCIY-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000331646103 215027915 /nfs/dbraw/zinc/02/79/15/215027915.db2.gz VNVFKPOJRMYCIY-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000331646103 215027918 /nfs/dbraw/zinc/02/79/18/215027918.db2.gz VNVFKPOJRMYCIY-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000331646103 215027919 /nfs/dbraw/zinc/02/79/19/215027919.db2.gz VNVFKPOJRMYCIY-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000331830195 215052925 /nfs/dbraw/zinc/05/29/25/215052925.db2.gz JVGJUPWNQADOAP-GJZGRUSLSA-N 2 2 353.488 0.474 20 0 FCADLP CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000331830195 215052929 /nfs/dbraw/zinc/05/29/29/215052929.db2.gz JVGJUPWNQADOAP-GJZGRUSLSA-N 2 2 353.488 0.474 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000332090289 215091672 /nfs/dbraw/zinc/09/16/72/215091672.db2.gz UXPIGWMVUDKYEF-QWHCGFSZSA-N 2 2 361.446 0.374 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000332088749 215090675 /nfs/dbraw/zinc/09/06/75/215090675.db2.gz UEXWMRJMRBFZPC-ZDUSSCGKSA-N 2 2 361.446 0.328 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000332088749 215090676 /nfs/dbraw/zinc/09/06/76/215090676.db2.gz UEXWMRJMRBFZPC-ZDUSSCGKSA-N 2 2 361.446 0.328 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938375 210021568 /nfs/dbraw/zinc/02/15/68/210021568.db2.gz PXYPDQREQSWUFM-IEBWSBKVSA-N 2 2 360.502 0.546 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938375 210021573 /nfs/dbraw/zinc/02/15/73/210021573.db2.gz PXYPDQREQSWUFM-IEBWSBKVSA-N 2 2 360.502 0.546 20 0 FCADLP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863416 210002488 /nfs/dbraw/zinc/00/24/88/210002488.db2.gz LGVVPIHWGYOVFM-CRAIPNDOSA-N 2 2 373.501 0.711 20 0 FCADLP C[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000264863416 210002493 /nfs/dbraw/zinc/00/24/93/210002493.db2.gz LGVVPIHWGYOVFM-CRAIPNDOSA-N 2 2 373.501 0.711 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000332389174 215143107 /nfs/dbraw/zinc/14/31/07/215143107.db2.gz KWXUUCRXHXUSRM-UHFFFAOYSA-N 2 2 363.506 0.074 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000332389174 215143110 /nfs/dbraw/zinc/14/31/10/215143110.db2.gz KWXUUCRXHXUSRM-UHFFFAOYSA-N 2 2 363.506 0.074 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000332517645 215165977 /nfs/dbraw/zinc/16/59/77/215165977.db2.gz AUFJEJNSDJWUCG-UHFFFAOYSA-N 2 2 359.474 0.591 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000332501000 215161695 /nfs/dbraw/zinc/16/16/95/215161695.db2.gz GJMSDMBFWNNKDI-HZPDHXFCSA-N 2 2 359.474 0.624 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC000332542575 215174762 /nfs/dbraw/zinc/17/47/62/215174762.db2.gz XXNVYTHOYMDUPB-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC000332542575 215174765 /nfs/dbraw/zinc/17/47/65/215174765.db2.gz XXNVYTHOYMDUPB-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000332539649 215173629 /nfs/dbraw/zinc/17/36/29/215173629.db2.gz ZVWBVCWMEWPCGU-INIZCTEOSA-N 2 2 359.474 0.591 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000332550959 215177539 /nfs/dbraw/zinc/17/75/39/215177539.db2.gz PJBKMENYJYXCME-OWCLPIDISA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000332550959 215177542 /nfs/dbraw/zinc/17/75/42/215177542.db2.gz PJBKMENYJYXCME-OWCLPIDISA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000332550959 215177545 /nfs/dbraw/zinc/17/75/45/215177545.db2.gz PJBKMENYJYXCME-OWCLPIDISA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000332550959 215177547 /nfs/dbraw/zinc/17/75/47/215177547.db2.gz PJBKMENYJYXCME-OWCLPIDISA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)[NH2+]1 ZINC000332563238 215180086 /nfs/dbraw/zinc/18/00/86/215180086.db2.gz XSFNDBQLRQSCEE-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)[NH2+]1 ZINC000332563238 215180090 /nfs/dbraw/zinc/18/00/90/215180090.db2.gz XSFNDBQLRQSCEE-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000332619501 215192508 /nfs/dbraw/zinc/19/25/08/215192508.db2.gz QXILWRKVWQTFST-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000332619501 215192512 /nfs/dbraw/zinc/19/25/12/215192512.db2.gz QXILWRKVWQTFST-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)C[C@H]1C ZINC000332596275 215185937 /nfs/dbraw/zinc/18/59/37/215185937.db2.gz KZLCJWXNGPVYEW-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)C[C@H]1C ZINC000332596275 215185939 /nfs/dbraw/zinc/18/59/39/215185939.db2.gz KZLCJWXNGPVYEW-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)C[C@H]1C ZINC000332596275 215185942 /nfs/dbraw/zinc/18/59/42/215185942.db2.gz KZLCJWXNGPVYEW-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)C[C@H]1C ZINC000332596275 215185943 /nfs/dbraw/zinc/18/59/43/215185943.db2.gz KZLCJWXNGPVYEW-IKGGRYGDSA-N 2 2 366.506 0.251 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@H]1C ZINC000332648258 215197684 /nfs/dbraw/zinc/19/76/84/215197684.db2.gz KRKFEPFOMGQTMR-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C[C@H]1C ZINC000332648258 215197686 /nfs/dbraw/zinc/19/76/86/215197686.db2.gz KRKFEPFOMGQTMR-VVLHAWIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000332890377 215215865 /nfs/dbraw/zinc/21/58/65/215215865.db2.gz JMOLVZQISHETPL-BBRMVZONSA-N 2 2 360.462 0.215 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000332890377 215215868 /nfs/dbraw/zinc/21/58/68/215215868.db2.gz JMOLVZQISHETPL-BBRMVZONSA-N 2 2 360.462 0.215 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000332890377 215215870 /nfs/dbraw/zinc/21/58/70/215215870.db2.gz JMOLVZQISHETPL-BBRMVZONSA-N 2 2 360.462 0.215 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000332890377 215215872 /nfs/dbraw/zinc/21/58/72/215215872.db2.gz JMOLVZQISHETPL-BBRMVZONSA-N 2 2 360.462 0.215 20 0 FCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000332953945 215218936 /nfs/dbraw/zinc/21/89/36/215218936.db2.gz GBCWAYZWRMFFOX-HOTGVXAUSA-N 2 2 364.494 0.529 20 0 FCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000332953945 215218938 /nfs/dbraw/zinc/21/89/38/215218938.db2.gz GBCWAYZWRMFFOX-HOTGVXAUSA-N 2 2 364.494 0.529 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1c(F)cccc1F ZINC000333145605 215241903 /nfs/dbraw/zinc/24/19/03/215241903.db2.gz DPJDLJJZJKXIGW-MEDUHNTESA-N 2 2 352.385 0.387 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000333142983 215240665 /nfs/dbraw/zinc/24/06/65/215240665.db2.gz KQGFMRWEORUKBC-NJAFHUGGSA-N 2 2 368.522 0.726 20 0 FCADLP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000333289576 215258420 /nfs/dbraw/zinc/25/84/20/215258420.db2.gz OFQMQUNRJIQPLC-FAFZWHIHSA-N 2 2 364.534 0.962 20 0 FCADLP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000333289576 215258424 /nfs/dbraw/zinc/25/84/24/215258424.db2.gz OFQMQUNRJIQPLC-FAFZWHIHSA-N 2 2 364.534 0.962 20 0 FCADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000333328809 215265796 /nfs/dbraw/zinc/26/57/96/215265796.db2.gz QVONGNNLBGIEKD-OAHLLOKOSA-N 2 2 365.522 0.854 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000333483294 215287212 /nfs/dbraw/zinc/28/72/12/215287212.db2.gz SRRKBFMZUPGMQZ-UHFFFAOYSA-N 2 2 373.461 0.117 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000333524380 215292193 /nfs/dbraw/zinc/29/21/93/215292193.db2.gz WXYYGTJZNRBNHB-ZWKOTPCHSA-N 2 2 353.507 0.935 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000333524380 215292195 /nfs/dbraw/zinc/29/21/95/215292195.db2.gz WXYYGTJZNRBNHB-ZWKOTPCHSA-N 2 2 353.507 0.935 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000333626866 215302652 /nfs/dbraw/zinc/30/26/52/215302652.db2.gz FZGVKBPMCMUKHS-KLAILNCOSA-N 2 2 365.522 0.985 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000333638300 215303432 /nfs/dbraw/zinc/30/34/32/215303432.db2.gz HSQCYSWHOBPSGH-AHEZYBDSSA-N 2 2 371.547 0.921 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333655863 215305985 /nfs/dbraw/zinc/30/59/85/215305985.db2.gz KQUPBQXTFJRPLV-GXTWGEPZSA-N 2 2 358.450 0.335 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000333714745 215312541 /nfs/dbraw/zinc/31/25/41/215312541.db2.gz SVRZWFKRSPJFHC-AOCRQIFASA-N 2 2 367.538 0.565 20 0 FCADLP COCC[N@H+]1CCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1C ZINC000333714745 215312543 /nfs/dbraw/zinc/31/25/43/215312543.db2.gz SVRZWFKRSPJFHC-AOCRQIFASA-N 2 2 367.538 0.565 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333714745 215312547 /nfs/dbraw/zinc/31/25/47/215312547.db2.gz SVRZWFKRSPJFHC-AOCRQIFASA-N 2 2 367.538 0.565 20 0 FCADLP COCC[N@H+]1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000333714745 215312549 /nfs/dbraw/zinc/31/25/49/215312549.db2.gz SVRZWFKRSPJFHC-AOCRQIFASA-N 2 2 367.538 0.565 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000333711725 215312932 /nfs/dbraw/zinc/31/29/32/215312932.db2.gz SLNWBOLFLRCJCO-ZACQAIPSSA-N 2 2 365.522 0.842 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000333810943 215321834 /nfs/dbraw/zinc/32/18/34/215321834.db2.gz JHIUUPYIKMAUDC-BRWVUGGUSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000333840680 215324188 /nfs/dbraw/zinc/32/41/88/215324188.db2.gz ODZPBAPNPAAWLI-PMPSAXMXSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000333853197 215324364 /nfs/dbraw/zinc/32/43/64/215324364.db2.gz QJQSDCFPSPEYJX-GOEBONIOSA-N 2 2 351.495 0.452 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000285807030 213398680 /nfs/dbraw/zinc/39/86/80/213398680.db2.gz DOTWGDWNCNGBJU-PBFPGSCMSA-N 2 2 374.445 0.935 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000334021472 215336450 /nfs/dbraw/zinc/33/64/50/215336450.db2.gz DFENIAQPCZPDRC-SJORKVTESA-N 2 2 368.522 0.774 20 0 FCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000334064227 215340343 /nfs/dbraw/zinc/34/03/43/215340343.db2.gz CMAFKCFGPZFNSQ-HUUCEWRRSA-N 2 2 362.478 0.912 20 0 FCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000334064227 215340346 /nfs/dbraw/zinc/34/03/46/215340346.db2.gz CMAFKCFGPZFNSQ-HUUCEWRRSA-N 2 2 362.478 0.912 20 0 FCADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000360830677 215371572 /nfs/dbraw/zinc/37/15/72/215371572.db2.gz QJWAQWMSGKFXRS-UXHICEINSA-N 2 2 372.513 0.436 20 0 FCADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000360830677 215371575 /nfs/dbraw/zinc/37/15/75/215371575.db2.gz QJWAQWMSGKFXRS-UXHICEINSA-N 2 2 372.513 0.436 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)[nH+]c2c1 ZINC000285516927 213352167 /nfs/dbraw/zinc/35/21/67/213352167.db2.gz OIUCTZBAMVJISD-GOEBONIOSA-N 2 2 355.442 0.812 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)[nH+]c2c1 ZINC000285516927 213352169 /nfs/dbraw/zinc/35/21/69/213352169.db2.gz OIUCTZBAMVJISD-GOEBONIOSA-N 2 2 355.442 0.812 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000285516935 213351987 /nfs/dbraw/zinc/35/19/87/213351987.db2.gz OIUCTZBAMVJISD-ZBFHGGJFSA-N 2 2 355.442 0.812 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000285516935 213351990 /nfs/dbraw/zinc/35/19/90/213351990.db2.gz OIUCTZBAMVJISD-ZBFHGGJFSA-N 2 2 355.442 0.812 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000361140363 215382825 /nfs/dbraw/zinc/38/28/25/215382825.db2.gz HBHPJOUKDXLAJF-MRXNPFEDSA-N 2 2 373.501 0.572 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443026 213341866 /nfs/dbraw/zinc/34/18/66/213341866.db2.gz ZCLOGPUHKBPREQ-CVEARBPZSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443026 213341868 /nfs/dbraw/zinc/34/18/68/213341868.db2.gz ZCLOGPUHKBPREQ-CVEARBPZSA-N 2 2 359.474 0.943 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000285065219 213276652 /nfs/dbraw/zinc/27/66/52/213276652.db2.gz JAYRUNPHMRWKIY-BFYDXBDKSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000285065219 213276653 /nfs/dbraw/zinc/27/66/53/213276653.db2.gz JAYRUNPHMRWKIY-BFYDXBDKSA-N 2 2 359.474 0.893 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000285039811 213270981 /nfs/dbraw/zinc/27/09/81/213270981.db2.gz IBOOAMPXRQECSP-HZPDHXFCSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000285039811 213270985 /nfs/dbraw/zinc/27/09/85/213270985.db2.gz IBOOAMPXRQECSP-HZPDHXFCSA-N 2 2 359.474 0.943 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000284800854 213224416 /nfs/dbraw/zinc/22/44/16/213224416.db2.gz KZNGBNUQDOVSHG-MRXNPFEDSA-N 2 2 359.474 0.766 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000931125127 674094207 /nfs/dbraw/zinc/09/42/07/674094207.db2.gz CLEONOCMHQKVRR-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000931125127 674094210 /nfs/dbraw/zinc/09/42/10/674094210.db2.gz CLEONOCMHQKVRR-AWEZNQCLSA-N 2 2 350.467 0.992 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c[nH+]1 ZINC000284510029 213157092 /nfs/dbraw/zinc/15/70/92/213157092.db2.gz JIZBZBILJDKPLE-INIZCTEOSA-N 2 2 359.474 0.851 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@H+](C)C1CC1 ZINC000284491697 213153660 /nfs/dbraw/zinc/15/36/60/213153660.db2.gz PJKIPZXDBFFTQF-CQSZACIVSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@@H+](C)C1CC1 ZINC000284491697 213153665 /nfs/dbraw/zinc/15/36/65/213153665.db2.gz PJKIPZXDBFFTQF-CQSZACIVSA-N 2 2 359.474 0.897 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000284458749 213143186 /nfs/dbraw/zinc/14/31/86/213143186.db2.gz NCSHWZJBZDJVIV-UHFFFAOYSA-N 2 2 371.485 0.852 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284458430 213143282 /nfs/dbraw/zinc/14/32/82/213143282.db2.gz FRDHYWXZLIAYGL-MRXNPFEDSA-N 2 2 361.490 0.954 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000284458430 213143284 /nfs/dbraw/zinc/14/32/84/213143284.db2.gz FRDHYWXZLIAYGL-MRXNPFEDSA-N 2 2 361.490 0.954 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000284433744 213138854 /nfs/dbraw/zinc/13/88/54/213138854.db2.gz YTIYHWJRHMSRDJ-OAHLLOKOSA-N 2 2 368.503 0.258 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000284326534 213111701 /nfs/dbraw/zinc/11/17/01/213111701.db2.gz JNUKSUWJFVZGAH-HNNXBMFYSA-N 2 2 350.463 0.847 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000284227479 213102333 /nfs/dbraw/zinc/10/23/33/213102333.db2.gz KAGQVKWXICXEEZ-UHFFFAOYSA-N 2 2 358.486 0.715 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000284227479 213102336 /nfs/dbraw/zinc/10/23/36/213102336.db2.gz KAGQVKWXICXEEZ-UHFFFAOYSA-N 2 2 358.486 0.715 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288919 213105248 /nfs/dbraw/zinc/10/52/48/213105248.db2.gz MLZPGPRIJGHMIN-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288919 213105249 /nfs/dbraw/zinc/10/52/49/213105249.db2.gz MLZPGPRIJGHMIN-CVEARBPZSA-N 2 2 357.458 0.473 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284123314 213079190 /nfs/dbraw/zinc/07/91/90/213079190.db2.gz XKSSHMMXBGYTCG-ZDUSSCGKSA-N 2 2 361.471 0.624 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284123314 213079193 /nfs/dbraw/zinc/07/91/93/213079193.db2.gz XKSSHMMXBGYTCG-ZDUSSCGKSA-N 2 2 361.471 0.624 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000284108701 213074805 /nfs/dbraw/zinc/07/48/05/213074805.db2.gz CGYBOCOIEHQPBZ-HZPDHXFCSA-N 2 2 372.473 0.177 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc[nH+]1 ZINC000284108701 213074809 /nfs/dbraw/zinc/07/48/09/213074809.db2.gz CGYBOCOIEHQPBZ-HZPDHXFCSA-N 2 2 372.473 0.177 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000284001020 213052529 /nfs/dbraw/zinc/05/25/29/213052529.db2.gz NPQFREXZCOINRU-MRXNPFEDSA-N 2 2 369.469 0.937 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000283933134 213037101 /nfs/dbraw/zinc/03/71/01/213037101.db2.gz NIDRPYTWHLBWPO-CZUORRHYSA-N 2 2 361.421 0.946 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000412434024 237207778 /nfs/dbraw/zinc/20/77/78/237207778.db2.gz FRBRAODGLRKULB-SFHVURJKSA-N 2 2 369.506 0.435 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000412434024 237207784 /nfs/dbraw/zinc/20/77/84/237207784.db2.gz FRBRAODGLRKULB-SFHVURJKSA-N 2 2 369.506 0.435 20 0 FCADLP COC(=O)[C@]1(C)C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000367238836 216095987 /nfs/dbraw/zinc/09/59/87/216095987.db2.gz RJVKZEZGXILWKB-RDTXWAMCSA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@]1(C)C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000367238836 216095990 /nfs/dbraw/zinc/09/59/90/216095990.db2.gz RJVKZEZGXILWKB-RDTXWAMCSA-N 2 2 355.479 0.344 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000367584807 216139673 /nfs/dbraw/zinc/13/96/73/216139673.db2.gz BUUJGSUOUUZHMV-GVDBMIGSSA-N 2 2 354.495 0.338 20 0 FCADLP CC(C)Nc1nc(NC2CC[NH+](C3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000367835462 216169336 /nfs/dbraw/zinc/16/93/36/216169336.db2.gz INTPFVNWCJFXCA-UHFFFAOYSA-N 2 2 363.510 0.181 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000367835462 216169340 /nfs/dbraw/zinc/16/93/40/216169340.db2.gz INTPFVNWCJFXCA-UHFFFAOYSA-N 2 2 363.510 0.181 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000367835462 216169344 /nfs/dbraw/zinc/16/93/44/216169344.db2.gz INTPFVNWCJFXCA-UHFFFAOYSA-N 2 2 363.510 0.181 20 0 FCADLP CN(C(=O)CNc1ccccc1C(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368037647 216195089 /nfs/dbraw/zinc/19/50/89/216195089.db2.gz AIYLVABKAGAWTA-MRXNPFEDSA-N 2 2 373.501 0.824 20 0 FCADLP CN(C(=O)CNc1ccccc1C(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368037647 216195090 /nfs/dbraw/zinc/19/50/90/216195090.db2.gz AIYLVABKAGAWTA-MRXNPFEDSA-N 2 2 373.501 0.824 20 0 FCADLP COCC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCOCC1 ZINC000368144859 216206772 /nfs/dbraw/zinc/20/67/72/216206772.db2.gz XBYGAROSGZVSMF-UHFFFAOYSA-N 2 2 356.511 0.755 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000247358404 209412387 /nfs/dbraw/zinc/41/23/87/209412387.db2.gz YNLAKBWGVKIWBL-KBAYOESNSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246329855 209385629 /nfs/dbraw/zinc/38/56/29/209385629.db2.gz AYNQOXOGYFYEDM-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246329855 209385632 /nfs/dbraw/zinc/38/56/32/209385632.db2.gz AYNQOXOGYFYEDM-BDXSIMOUSA-N 2 2 368.522 0.990 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1=O ZINC000245412951 209365398 /nfs/dbraw/zinc/36/53/98/209365398.db2.gz ARJGCEPKPBPNKE-GVDBMIGSSA-N 2 2 361.490 0.968 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1=O ZINC000245412951 209365401 /nfs/dbraw/zinc/36/54/01/209365401.db2.gz ARJGCEPKPBPNKE-GVDBMIGSSA-N 2 2 361.490 0.968 20 0 FCADLP [NH3+]CCCOC1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000237833080 209357515 /nfs/dbraw/zinc/35/75/15/209357515.db2.gz MFJQKBZJKJTAOZ-UHFFFAOYSA-N 2 2 361.490 0.560 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237735124 209357137 /nfs/dbraw/zinc/35/71/37/209357137.db2.gz WHYDKODOJKMELV-LBPRGKRZSA-N 2 2 361.475 0.107 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299459 216229166 /nfs/dbraw/zinc/22/91/66/216229166.db2.gz OSASVXHBUVDEIT-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299459 216229169 /nfs/dbraw/zinc/22/91/69/216229169.db2.gz OSASVXHBUVDEIT-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299459 216229173 /nfs/dbraw/zinc/22/91/73/216229173.db2.gz OSASVXHBUVDEIT-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C[C@H](C)O1 ZINC000368299459 216229175 /nfs/dbraw/zinc/22/91/75/216229175.db2.gz OSASVXHBUVDEIT-UXLLHSPISA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237420720 209352474 /nfs/dbraw/zinc/35/24/74/209352474.db2.gz OBBHJUFBXRMJTF-HUUCEWRRSA-N 2 2 354.520 0.237 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237491055 209352169 /nfs/dbraw/zinc/35/21/69/209352169.db2.gz OBBHJUFBXRMJTF-LSDHHAIUSA-N 2 2 354.520 0.237 20 0 FCADLP Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000236690900 209342621 /nfs/dbraw/zinc/34/26/21/209342621.db2.gz NXPFMQRRGSGWNX-MRXNPFEDSA-N 2 2 364.494 0.598 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1=O ZINC000236614532 209341291 /nfs/dbraw/zinc/34/12/91/209341291.db2.gz DGGDIRRTVUCJEM-ZWKOTPCHSA-N 2 2 369.469 0.927 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000193439063 209313237 /nfs/dbraw/zinc/31/32/37/209313237.db2.gz NIXOYOSJXQESFB-SJORKVTESA-N 2 2 369.473 0.905 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000193439063 209313241 /nfs/dbraw/zinc/31/32/41/209313241.db2.gz NIXOYOSJXQESFB-SJORKVTESA-N 2 2 369.473 0.905 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790499 216296545 /nfs/dbraw/zinc/29/65/45/216296545.db2.gz MBQBAWHZPDWJDY-FZMZJTMJSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@](C)(O)C(F)(F)F)C2)CC1 ZINC000368790499 216296548 /nfs/dbraw/zinc/29/65/48/216296548.db2.gz MBQBAWHZPDWJDY-FZMZJTMJSA-N 2 2 352.401 0.767 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)CC2)c1 ZINC000190827238 209279503 /nfs/dbraw/zinc/27/95/03/209279503.db2.gz FSRKYMLITUPPGG-ZWKOTPCHSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)CC2)c1 ZINC000190827238 209279506 /nfs/dbraw/zinc/27/95/06/209279506.db2.gz FSRKYMLITUPPGG-ZWKOTPCHSA-N 2 2 363.502 0.703 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169757 216357943 /nfs/dbraw/zinc/35/79/43/216357943.db2.gz INGSOBUAYFTUDM-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369169757 216357945 /nfs/dbraw/zinc/35/79/45/216357945.db2.gz INGSOBUAYFTUDM-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3ccc(F)cc3)C2)CC1 ZINC000369258112 216372846 /nfs/dbraw/zinc/37/28/46/216372846.db2.gz UVYASNJNFWKWTA-INIZCTEOSA-N 2 2 362.449 0.840 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3ccc(F)cc3)C2)CC1 ZINC000369258112 216372849 /nfs/dbraw/zinc/37/28/49/216372849.db2.gz UVYASNJNFWKWTA-INIZCTEOSA-N 2 2 362.449 0.840 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369269358 216374556 /nfs/dbraw/zinc/37/45/56/216374556.db2.gz IVPSPKVTIDMYIO-HNNXBMFYSA-N 2 2 370.494 0.016 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(-n4cnnn4)c3)C2)CC1 ZINC000369274276 216376526 /nfs/dbraw/zinc/37/65/26/216376526.db2.gz NUDJYPKTZFKTTG-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(-n4cnnn4)c3)C2)CC1 ZINC000369274276 216376527 /nfs/dbraw/zinc/37/65/27/216376527.db2.gz NUDJYPKTZFKTTG-HNNXBMFYSA-N 2 2 355.446 0.561 20 0 FCADLP Cn1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314372 209272024 /nfs/dbraw/zinc/27/20/24/209272024.db2.gz FCIGNZLXOQRDBO-FQEVSTJZSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314372 209272029 /nfs/dbraw/zinc/27/20/29/209272029.db2.gz FCIGNZLXOQRDBO-FQEVSTJZSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314372 209272031 /nfs/dbraw/zinc/27/20/31/209272031.db2.gz FCIGNZLXOQRDBO-FQEVSTJZSA-N 2 2 372.469 0.153 20 0 FCADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000190314372 209272034 /nfs/dbraw/zinc/27/20/34/209272034.db2.gz FCIGNZLXOQRDBO-FQEVSTJZSA-N 2 2 372.469 0.153 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374179 216390990 /nfs/dbraw/zinc/39/09/90/216390990.db2.gz RBQPRGFJORSVAK-UONOGXRCSA-N 2 2 353.511 0.757 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)NC(C)(C)C ZINC000369374179 216390992 /nfs/dbraw/zinc/39/09/92/216390992.db2.gz RBQPRGFJORSVAK-UONOGXRCSA-N 2 2 353.511 0.757 20 0 FCADLP CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375462 216392305 /nfs/dbraw/zinc/39/23/05/216392305.db2.gz XNCNNKKMTDDCRR-RDJZCZTQSA-N 2 2 356.511 0.488 20 0 FCADLP CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375462 216392307 /nfs/dbraw/zinc/39/23/07/216392307.db2.gz XNCNNKKMTDDCRR-RDJZCZTQSA-N 2 2 356.511 0.488 20 0 FCADLP CC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362795 216389526 /nfs/dbraw/zinc/38/95/26/216389526.db2.gz HVXXYQGAMBGZAF-SJORKVTESA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362795 216389528 /nfs/dbraw/zinc/38/95/28/216389528.db2.gz HVXXYQGAMBGZAF-SJORKVTESA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362792 216389928 /nfs/dbraw/zinc/38/99/28/216389928.db2.gz HVXXYQGAMBGZAF-DLBZAZTESA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369362792 216389930 /nfs/dbraw/zinc/38/99/30/216389930.db2.gz HVXXYQGAMBGZAF-DLBZAZTESA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369402157 216395799 /nfs/dbraw/zinc/39/57/99/216395799.db2.gz PSIISAQFCDSTKZ-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369402157 216395801 /nfs/dbraw/zinc/39/58/01/216395801.db2.gz PSIISAQFCDSTKZ-DLBZAZTESA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000189705763 209258059 /nfs/dbraw/zinc/25/80/59/209258059.db2.gz AXUVHVCWMRSJAQ-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000189705763 209258061 /nfs/dbraw/zinc/25/80/61/209258061.db2.gz AXUVHVCWMRSJAQ-HKUYNNGSSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](C)CC(=O)Nc1cnn(C[C@H]2CCCCN2C(=O)C[NH+](C)C)c1 ZINC000276997199 212316210 /nfs/dbraw/zinc/31/62/10/212316210.db2.gz YAVFGMNWCXTLJS-OAHLLOKOSA-N 2 2 350.467 0.326 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1CC(C)(C)O ZINC000187627594 209214622 /nfs/dbraw/zinc/21/46/22/209214622.db2.gz FBDMSHWTVOLRIP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1CC(C)(C)O ZINC000187627594 209214624 /nfs/dbraw/zinc/21/46/24/209214624.db2.gz FBDMSHWTVOLRIP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000187627594 209214626 /nfs/dbraw/zinc/21/46/26/209214626.db2.gz FBDMSHWTVOLRIP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000187627594 209214629 /nfs/dbraw/zinc/21/46/29/209214629.db2.gz FBDMSHWTVOLRIP-AWEZNQCLSA-N 2 2 374.485 0.874 20 0 FCADLP C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1CCO ZINC000187276281 209209415 /nfs/dbraw/zinc/20/94/15/209209415.db2.gz DAEYPVAEAPXMEB-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1CCO ZINC000187276281 209209419 /nfs/dbraw/zinc/20/94/19/209209419.db2.gz DAEYPVAEAPXMEB-KRWDZBQOSA-N 2 2 360.502 0.573 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000414685171 245311405 /nfs/dbraw/zinc/31/14/05/245311405.db2.gz YGNLVVBYRDUHGE-KRWDZBQOSA-N 2 2 362.474 0.818 20 0 FCADLP C[C@@H]1C[C@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]1 ZINC000414742664 245319478 /nfs/dbraw/zinc/31/94/78/245319478.db2.gz NSVXPKYKYNSGKZ-IAGOWNOFSA-N 3 2 360.506 0.823 20 0 FCADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000414813066 245327187 /nfs/dbraw/zinc/32/71/87/245327187.db2.gz LSBKKDRIKJNQTC-HUUCEWRRSA-N 2 2 362.474 0.960 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000414607926 245304576 /nfs/dbraw/zinc/30/45/76/245304576.db2.gz GYDANOVKPJQWBR-INIZCTEOSA-N 2 2 367.453 0.958 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000414607926 245304582 /nfs/dbraw/zinc/30/45/82/245304582.db2.gz GYDANOVKPJQWBR-INIZCTEOSA-N 2 2 367.453 0.958 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000415226490 245366015 /nfs/dbraw/zinc/36/60/15/245366015.db2.gz IZPWXORNICFIEO-YOEHRIQHSA-N 2 2 360.458 0.666 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442687 217020003 /nfs/dbraw/zinc/02/00/03/217020003.db2.gz VZLWIJIIRXTAKF-GMBSWORKSA-N 3 2 352.523 0.804 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442687 217020006 /nfs/dbraw/zinc/02/00/06/217020006.db2.gz VZLWIJIIRXTAKF-GMBSWORKSA-N 3 2 352.523 0.804 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000184965788 209170501 /nfs/dbraw/zinc/17/05/01/209170501.db2.gz SUVCPZRLPGRVBC-UHFFFAOYSA-N 2 2 362.478 0.727 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415350413 245395395 /nfs/dbraw/zinc/39/53/95/245395395.db2.gz YYGJOPGMJVDUPQ-OAHLLOKOSA-N 2 2 360.458 0.320 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000374076416 217093788 /nfs/dbraw/zinc/09/37/88/217093788.db2.gz CSOKSAHLAWGXPE-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000374076416 217093791 /nfs/dbraw/zinc/09/37/91/217093791.db2.gz CSOKSAHLAWGXPE-IAGOWNOFSA-N 2 2 365.522 0.809 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323633 217117485 /nfs/dbraw/zinc/11/74/85/217117485.db2.gz IMGJHJQSSJLBHS-FGTMMUONSA-N 2 2 354.539 0.876 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323633 217117487 /nfs/dbraw/zinc/11/74/87/217117487.db2.gz IMGJHJQSSJLBHS-FGTMMUONSA-N 2 2 354.539 0.876 20 0 FCADLP COCC[C@@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000374453868 217130837 /nfs/dbraw/zinc/13/08/37/217130837.db2.gz WBSPPIDJEYMRAV-KXBFYZLASA-N 2 2 362.474 0.939 20 0 FCADLP CC(C)CCOCCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374803246 217176952 /nfs/dbraw/zinc/17/69/52/217176952.db2.gz ZDCAIZZOAONDOT-UHFFFAOYSA-N 2 2 371.522 0.324 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C2)CC1 ZINC000374780292 217172857 /nfs/dbraw/zinc/17/28/57/217172857.db2.gz MCEBBFAKWXGNBQ-LLVKDONJSA-N 2 2 350.385 0.340 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C2)CC1 ZINC000374780292 217172860 /nfs/dbraw/zinc/17/28/60/217172860.db2.gz MCEBBFAKWXGNBQ-LLVKDONJSA-N 2 2 350.385 0.340 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC1 ZINC000183360493 209144961 /nfs/dbraw/zinc/14/49/61/209144961.db2.gz IMXJFBXUFKIILJ-UHFFFAOYSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182966027 209139162 /nfs/dbraw/zinc/13/91/62/209139162.db2.gz YTVFUBRFSHONNB-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182966027 209139164 /nfs/dbraw/zinc/13/91/64/209139164.db2.gz YTVFUBRFSHONNB-INIZCTEOSA-N 2 2 373.501 0.930 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376384 217256116 /nfs/dbraw/zinc/25/61/16/217256116.db2.gz BPYJUISSJOCPKU-QZTJIDSGSA-N 2 2 373.501 0.895 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376384 217256119 /nfs/dbraw/zinc/25/61/19/217256119.db2.gz BPYJUISSJOCPKU-QZTJIDSGSA-N 2 2 373.501 0.895 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000375592410 217288682 /nfs/dbraw/zinc/28/86/82/217288682.db2.gz SHLWFGLEKCTQSN-LJQANCHMSA-N 3 2 365.566 0.817 20 0 FCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000375592410 217288684 /nfs/dbraw/zinc/28/86/84/217288684.db2.gz SHLWFGLEKCTQSN-LJQANCHMSA-N 3 2 365.566 0.817 20 0 FCADLP C[C@@](O)(CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21)C[NH+]1CCOCC1 ZINC000375959086 217338516 /nfs/dbraw/zinc/33/85/16/217338516.db2.gz FGMVXJCXBKRCGO-WMLDXEAASA-N 2 2 351.451 0.143 20 0 FCADLP [NH3+]CCCCNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000418535963 245796192 /nfs/dbraw/zinc/79/61/92/245796192.db2.gz ZUZLQADBNNXVST-INIZCTEOSA-N 2 2 350.463 0.492 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418590539 245802467 /nfs/dbraw/zinc/80/24/67/245802467.db2.gz JOCUHAUSUXVCKW-INIZCTEOSA-N 2 2 353.511 0.700 20 0 FCADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419160812 246025649 /nfs/dbraw/zinc/02/56/49/246025649.db2.gz ZOFNANDHLAWSIO-CALCHBBNSA-N 2 2 367.453 0.420 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@H]1[NH3+] ZINC000419132898 246007183 /nfs/dbraw/zinc/00/71/83/246007183.db2.gz FJSRRLUXLAOKBS-GDBMZVCRSA-N 2 2 355.442 0.548 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000419208842 246055593 /nfs/dbraw/zinc/05/55/93/246055593.db2.gz RYOQXRUYTUMHKT-OAHLLOKOSA-N 2 2 359.474 0.885 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)c[nH+]2)CC1 ZINC000419206944 246055878 /nfs/dbraw/zinc/05/58/78/246055878.db2.gz NTZLGWDSMJJETK-INIZCTEOSA-N 2 2 359.474 0.802 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228976 246067436 /nfs/dbraw/zinc/06/74/36/246067436.db2.gz HAEPZNLWQKIFLD-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228976 246067440 /nfs/dbraw/zinc/06/74/40/246067440.db2.gz HAEPZNLWQKIFLD-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419274970 246084296 /nfs/dbraw/zinc/08/42/96/246084296.db2.gz JLPODTIMDKVNJL-QGZVFWFLSA-N 2 2 355.442 0.806 20 0 FCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419276283 246084994 /nfs/dbraw/zinc/08/49/94/246084994.db2.gz KSMAXESFLKQIPY-MSOLQXFVSA-N 2 2 367.453 0.901 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)[NH2+]1 ZINC000419266868 246080521 /nfs/dbraw/zinc/08/05/21/246080521.db2.gz ICVYQSHOIJMFGJ-IYBDPMFKSA-N 2 2 374.485 0.344 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419319778 246098771 /nfs/dbraw/zinc/09/87/71/246098771.db2.gz ZVGHNWJLAVFRHP-CVEARBPZSA-N 2 2 357.458 0.508 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000419379968 246125239 /nfs/dbraw/zinc/12/52/39/246125239.db2.gz BFZVZEWHQIFJNA-LSDHHAIUSA-N 2 2 368.865 0.164 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000419379968 246125245 /nfs/dbraw/zinc/12/52/45/246125245.db2.gz BFZVZEWHQIFJNA-LSDHHAIUSA-N 2 2 368.865 0.164 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419452681 246170816 /nfs/dbraw/zinc/17/08/16/246170816.db2.gz PVOBQVBYJMFENS-SJORKVTESA-N 2 2 373.501 0.134 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000419681611 246245863 /nfs/dbraw/zinc/24/58/63/246245863.db2.gz IPGDQHCGMNXAQU-YQQAZPJKSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000419699926 246257779 /nfs/dbraw/zinc/25/77/79/246257779.db2.gz AUNFCFQKQPPCDG-IHRRRGAJSA-N 2 2 361.446 0.006 20 0 FCADLP [NH3+]CCNC(=O)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000419813486 246304259 /nfs/dbraw/zinc/30/42/59/246304259.db2.gz GTAJXNZLJNVKNM-UHFFFAOYSA-N 2 2 366.465 0.995 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419845778 246317967 /nfs/dbraw/zinc/31/79/67/246317967.db2.gz OLISSXGRWODVCH-UHFFFAOYSA-N 2 2 368.235 0.439 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000419848772 246320020 /nfs/dbraw/zinc/32/00/20/246320020.db2.gz XABRIPPFUGPIMD-HNNXBMFYSA-N 2 2 374.489 0.425 20 0 FCADLP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419931316 246376580 /nfs/dbraw/zinc/37/65/80/246376580.db2.gz COIJFSUGZFGABZ-QGZVFWFLSA-N 2 2 374.485 0.468 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887084 246352648 /nfs/dbraw/zinc/35/26/48/246352648.db2.gz QFWXQWYYERTCNR-GJZGRUSLSA-N 2 2 355.442 0.814 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419891813 246354952 /nfs/dbraw/zinc/35/49/52/246354952.db2.gz NPNDMQQZBPMGAV-GJZGRUSLSA-N 2 2 364.515 0.897 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419963441 246390159 /nfs/dbraw/zinc/39/01/59/246390159.db2.gz WEMIAZOBRRWNDZ-HUUCEWRRSA-N 2 2 362.474 0.611 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419937806 246378837 /nfs/dbraw/zinc/37/88/37/246378837.db2.gz OLLJRDRIBRIXHA-QGZVFWFLSA-N 2 2 374.485 0.468 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420127001 246485142 /nfs/dbraw/zinc/48/51/42/246485142.db2.gz OPTWKOLATOQEJW-RDJZCZTQSA-N 2 2 374.485 0.596 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423376522 247015675 /nfs/dbraw/zinc/01/56/75/247015675.db2.gz JMHMIYWAKCOUSY-JFIYKMOQSA-N 2 2 372.469 0.909 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000423383478 247018793 /nfs/dbraw/zinc/01/87/93/247018793.db2.gz JKZUPUIWVHVOPF-LNLFQRSKSA-N 2 2 361.486 0.959 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423307866 247000531 /nfs/dbraw/zinc/00/05/31/247000531.db2.gz HYLJYPBVYOFARI-XGXHKWSGSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423307866 247000536 /nfs/dbraw/zinc/00/05/36/247000536.db2.gz HYLJYPBVYOFARI-XGXHKWSGSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423308096 247000786 /nfs/dbraw/zinc/00/07/86/247000786.db2.gz IRAMNWGPLONKIF-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423308096 247000788 /nfs/dbraw/zinc/00/07/88/247000788.db2.gz IRAMNWGPLONKIF-NEWSRXKRSA-N 2 2 370.497 0.787 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423311369 247003387 /nfs/dbraw/zinc/00/33/87/247003387.db2.gz PRUGNTQWDLRLLW-JZXOWHBKSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423311369 247003394 /nfs/dbraw/zinc/00/33/94/247003394.db2.gz PRUGNTQWDLRLLW-JZXOWHBKSA-N 2 2 358.486 0.915 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423544605 247045968 /nfs/dbraw/zinc/04/59/68/247045968.db2.gz OOOCGMXLLXMJKG-UHFFFAOYSA-N 2 2 355.389 0.221 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423487117 247034743 /nfs/dbraw/zinc/03/47/43/247034743.db2.gz UZVVLXKJHGSNQT-DZGCQCFKSA-N 2 2 366.487 0.139 20 0 FCADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423496209 247036592 /nfs/dbraw/zinc/03/65/92/247036592.db2.gz GAGDJOQWGULVNH-HUUCEWRRSA-N 2 2 355.442 0.895 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423489995 247037319 /nfs/dbraw/zinc/03/73/19/247037319.db2.gz HDVMPJCSYLWMMQ-IKGGRYGDSA-N 2 2 366.506 0.014 20 0 FCADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423529200 247041478 /nfs/dbraw/zinc/04/14/78/247041478.db2.gz XGPBJRGFQUHAOX-UHFFFAOYSA-N 2 2 355.442 0.940 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000423616517 247076516 /nfs/dbraw/zinc/07/65/16/247076516.db2.gz SDQCZXCBUGHOCQ-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000423614211 247077160 /nfs/dbraw/zinc/07/71/60/247077160.db2.gz WXFPTKPMVGVRJR-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423660321 247098494 /nfs/dbraw/zinc/09/84/94/247098494.db2.gz CGSYGYVMGJFAQJ-SJORKVTESA-N 2 2 358.486 0.835 20 0 FCADLP CCCN(C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[NH2+]C1 ZINC000423667578 247102634 /nfs/dbraw/zinc/10/26/34/247102634.db2.gz ULVWJFFTSWYQGX-LSDHHAIUSA-N 2 2 362.478 0.215 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000423748147 247138168 /nfs/dbraw/zinc/13/81/68/247138168.db2.gz ALFCXWWDOULDFS-HNNXBMFYSA-N 2 2 355.479 0.346 20 0 FCADLP Cc1nc(N2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc[nH+]1 ZINC000423777309 247141188 /nfs/dbraw/zinc/14/11/88/247141188.db2.gz FYRXXJVYEFKPTA-IDHHARJASA-N 2 2 359.474 0.966 20 0 FCADLP [NH3+]C1(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCCC1 ZINC000423774517 247141962 /nfs/dbraw/zinc/14/19/62/247141962.db2.gz NWXYMOJFPTVVIJ-UHFFFAOYSA-N 2 2 360.462 0.233 20 0 FCADLP [NH3+]C1(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCCC1 ZINC000423774517 247141967 /nfs/dbraw/zinc/14/19/67/247141967.db2.gz NWXYMOJFPTVVIJ-UHFFFAOYSA-N 2 2 360.462 0.233 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423748768 247136958 /nfs/dbraw/zinc/13/69/58/247136958.db2.gz ZRMCWTCZUFXTAX-RDJZCZTQSA-N 3 2 367.538 0.057 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423748768 247136963 /nfs/dbraw/zinc/13/69/63/247136963.db2.gz ZRMCWTCZUFXTAX-RDJZCZTQSA-N 3 2 367.538 0.057 20 0 FCADLP COCCNC(=O)CN1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424307328 247195177 /nfs/dbraw/zinc/19/51/77/247195177.db2.gz XJZADGRGQMAJIR-INIZCTEOSA-N 2 2 352.454 0.248 20 0 FCADLP COCCNC(=O)C[NH+]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424307328 247195183 /nfs/dbraw/zinc/19/51/83/247195183.db2.gz XJZADGRGQMAJIR-INIZCTEOSA-N 2 2 352.454 0.248 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425395527 247334610 /nfs/dbraw/zinc/33/46/10/247334610.db2.gz XYUPADBMRHBPNG-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425395527 247334612 /nfs/dbraw/zinc/33/46/12/247334612.db2.gz XYUPADBMRHBPNG-CVEARBPZSA-N 2 2 368.522 0.497 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000425396932 247335439 /nfs/dbraw/zinc/33/54/39/247335439.db2.gz ZOFZLPSYXNYRND-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000425396932 247335441 /nfs/dbraw/zinc/33/54/41/247335441.db2.gz ZOFZLPSYXNYRND-MRXNPFEDSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427303738 247511617 /nfs/dbraw/zinc/51/16/17/247511617.db2.gz CTQNDVVDOQDNJZ-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000433382470 247860291 /nfs/dbraw/zinc/86/02/91/247860291.db2.gz OJZLDQMKLXPEAL-HZPDHXFCSA-N 2 2 362.478 0.530 20 0 FCADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625469 248004113 /nfs/dbraw/zinc/00/41/13/248004113.db2.gz LQGHAMBCCWWKBE-MSOLQXFVSA-N 3 2 354.539 0.923 20 0 FCADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625469 248004117 /nfs/dbraw/zinc/00/41/17/248004117.db2.gz LQGHAMBCCWWKBE-MSOLQXFVSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625469 248004118 /nfs/dbraw/zinc/00/41/18/248004118.db2.gz LQGHAMBCCWWKBE-MSOLQXFVSA-N 3 2 354.539 0.923 20 0 FCADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000435625469 248004122 /nfs/dbraw/zinc/00/41/22/248004122.db2.gz LQGHAMBCCWWKBE-MSOLQXFVSA-N 3 2 354.539 0.923 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000436051449 248029640 /nfs/dbraw/zinc/02/96/40/248029640.db2.gz KJXYANKZTBYXSB-HNNXBMFYSA-N 2 2 368.503 0.284 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000436051449 248029643 /nfs/dbraw/zinc/02/96/43/248029643.db2.gz KJXYANKZTBYXSB-HNNXBMFYSA-N 2 2 368.503 0.284 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000436048182 248029862 /nfs/dbraw/zinc/02/98/62/248029862.db2.gz FQGIQWZZAGUPSM-OAHLLOKOSA-N 2 2 367.494 0.464 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000436048182 248029866 /nfs/dbraw/zinc/02/98/66/248029866.db2.gz FQGIQWZZAGUPSM-OAHLLOKOSA-N 2 2 367.494 0.464 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436067290 248030628 /nfs/dbraw/zinc/03/06/28/248030628.db2.gz SMYXTVUCINRIJK-AWEZNQCLSA-N 2 2 350.467 0.295 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436067290 248030631 /nfs/dbraw/zinc/03/06/31/248030631.db2.gz SMYXTVUCINRIJK-AWEZNQCLSA-N 2 2 350.467 0.295 20 0 FCADLP C[C@@H](C[NH+](C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)[nH+]c(NC(C)(C)C)n1 ZINC000436704115 248048085 /nfs/dbraw/zinc/04/80/85/248048085.db2.gz JCCRYQZRUHQINM-STQMWFEESA-N 3 2 352.531 0.650 20 0 FCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441117281 248239536 /nfs/dbraw/zinc/23/95/36/248239536.db2.gz QQTDQETUBPHOPT-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763436 248295579 /nfs/dbraw/zinc/29/55/79/248295579.db2.gz IZQGQMZKWBHEQM-MGPQQGTHSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442763436 248295582 /nfs/dbraw/zinc/29/55/82/248295582.db2.gz IZQGQMZKWBHEQM-MGPQQGTHSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771852 248296926 /nfs/dbraw/zinc/29/69/26/248296926.db2.gz UNNRKVGBGSDXJG-WMZOPIPTSA-N 3 2 372.513 0.935 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771852 248296928 /nfs/dbraw/zinc/29/69/28/248296928.db2.gz UNNRKVGBGSDXJG-WMZOPIPTSA-N 3 2 372.513 0.935 20 0 FCADLP C[NH+](C)C1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000445976297 248381326 /nfs/dbraw/zinc/38/13/26/248381326.db2.gz AWNGMRWJIKDVPV-UHFFFAOYSA-N 2 2 351.495 0.420 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)n2C ZINC000452800320 249332765 /nfs/dbraw/zinc/33/27/65/249332765.db2.gz VMGHYDKOKBZIDL-CYBMUJFWSA-N 2 2 360.462 0.611 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)n2C ZINC000452800320 249332769 /nfs/dbraw/zinc/33/27/69/249332769.db2.gz VMGHYDKOKBZIDL-CYBMUJFWSA-N 2 2 360.462 0.611 20 0 FCADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc21 ZINC000453646736 249349880 /nfs/dbraw/zinc/34/98/80/249349880.db2.gz QZLFCVUCHKBRHC-WBVHZDCISA-N 2 2 360.458 0.621 20 0 FCADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc21 ZINC000453646736 249349884 /nfs/dbraw/zinc/34/98/84/249349884.db2.gz QZLFCVUCHKBRHC-WBVHZDCISA-N 2 2 360.458 0.621 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000471644590 250112588 /nfs/dbraw/zinc/11/25/88/250112588.db2.gz WEBNRPMAGTWQAR-HNNXBMFYSA-N 2 2 370.519 0.999 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275861 250143870 /nfs/dbraw/zinc/14/38/70/250143870.db2.gz KDAPLHUOLAJDAJ-MSOLQXFVSA-N 3 2 354.539 0.972 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000472275861 250143873 /nfs/dbraw/zinc/14/38/73/250143873.db2.gz KDAPLHUOLAJDAJ-MSOLQXFVSA-N 3 2 354.539 0.972 20 0 FCADLP CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000472471585 250151290 /nfs/dbraw/zinc/15/12/90/250151290.db2.gz TWQDVUYKAVOKLA-INIZCTEOSA-N 2 2 373.501 0.967 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000472489843 250152467 /nfs/dbraw/zinc/15/24/67/250152467.db2.gz XYXDBQKPOREEKU-MSOLQXFVSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000472489843 250152468 /nfs/dbraw/zinc/15/24/68/250152468.db2.gz XYXDBQKPOREEKU-MSOLQXFVSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489843 250152472 /nfs/dbraw/zinc/15/24/72/250152472.db2.gz XYXDBQKPOREEKU-MSOLQXFVSA-N 2 2 350.507 0.777 20 0 FCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000472489843 250152476 /nfs/dbraw/zinc/15/24/76/250152476.db2.gz XYXDBQKPOREEKU-MSOLQXFVSA-N 2 2 350.507 0.777 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c[nH+]2)CCO1 ZINC000269837356 211094724 /nfs/dbraw/zinc/09/47/24/211094724.db2.gz BBCZCWOVTRFYHB-KSSFIOAISA-N 2 2 365.478 0.419 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000472978544 250191344 /nfs/dbraw/zinc/19/13/44/250191344.db2.gz NXNOMILXLRWFSX-ZWKOTPCHSA-N 2 2 369.554 0.765 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000480970037 250304058 /nfs/dbraw/zinc/30/40/58/250304058.db2.gz IHGHZGPBOHQPFR-TWMKSMIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000480970037 250304061 /nfs/dbraw/zinc/30/40/61/250304061.db2.gz IHGHZGPBOHQPFR-TWMKSMIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000480970037 250304064 /nfs/dbraw/zinc/30/40/64/250304064.db2.gz IHGHZGPBOHQPFR-TWMKSMIVSA-N 2 2 368.522 0.306 20 0 FCADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000480970037 250304067 /nfs/dbraw/zinc/30/40/67/250304067.db2.gz IHGHZGPBOHQPFR-TWMKSMIVSA-N 2 2 368.522 0.306 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)CC1 ZINC000481783771 250358655 /nfs/dbraw/zinc/35/86/55/250358655.db2.gz RWICOSOBYAVOGY-AEFFLSMTSA-N 2 2 369.579 0.845 20 0 FCADLP Cc1cccc(N2CCC(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)CC2)[nH+]1 ZINC000481779538 250360252 /nfs/dbraw/zinc/36/02/52/250360252.db2.gz MZWQFTJXWKFKGL-UHFFFAOYSA-N 2 2 371.485 0.782 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000481776742 250360576 /nfs/dbraw/zinc/36/05/76/250360576.db2.gz OBTPDOMQZVGGKA-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000481776742 250360579 /nfs/dbraw/zinc/36/05/79/250360579.db2.gz OBTPDOMQZVGGKA-ZACQAIPSSA-N 2 2 366.506 0.156 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000481831022 250365349 /nfs/dbraw/zinc/36/53/49/250365349.db2.gz QYOGRNKFGFSHOB-VQTJNVASSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000481831022 250365351 /nfs/dbraw/zinc/36/53/51/250365351.db2.gz QYOGRNKFGFSHOB-VQTJNVASSA-N 2 2 372.513 0.874 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853242 250367689 /nfs/dbraw/zinc/36/76/89/250367689.db2.gz NSWJGSFVGBOOGI-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000481853242 250367692 /nfs/dbraw/zinc/36/76/92/250367692.db2.gz NSWJGSFVGBOOGI-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000481853242 250367696 /nfs/dbraw/zinc/36/76/96/250367696.db2.gz NSWJGSFVGBOOGI-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000481853242 250367700 /nfs/dbraw/zinc/36/77/00/250367700.db2.gz NSWJGSFVGBOOGI-HZPDHXFCSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1cccc2c(=O)n(CC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cnc12 ZINC000482005167 250374824 /nfs/dbraw/zinc/37/48/24/250374824.db2.gz KBTLRPBTXUXFPP-UHFFFAOYSA-N 2 2 371.485 0.847 20 0 FCADLP CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482009035 250374909 /nfs/dbraw/zinc/37/49/09/250374909.db2.gz UAKSVXUCJBFEDP-HIFRSBDPSA-N 2 2 362.540 0.093 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000482157617 250378813 /nfs/dbraw/zinc/37/88/13/250378813.db2.gz MIGQHESXQGSOTB-DLBZAZTESA-N 2 2 368.522 0.452 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000482157617 250378816 /nfs/dbraw/zinc/37/88/16/250378816.db2.gz MIGQHESXQGSOTB-DLBZAZTESA-N 2 2 368.522 0.452 20 0 FCADLP NC(=O)C[C@H]([NH3+])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000269724478 211055270 /nfs/dbraw/zinc/05/52/70/211055270.db2.gz QUXUAXKHPWXKHG-QWHCGFSZSA-N 2 2 356.829 0.935 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCOc2ncccc2F)CC1 ZINC000269561607 211010057 /nfs/dbraw/zinc/01/00/57/211010057.db2.gz CXEKYDGRKPVJSH-UHFFFAOYSA-N 2 2 353.442 0.925 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413212479 532995236 /nfs/dbraw/zinc/99/52/36/532995236.db2.gz YUHAWVXCMANZMT-DZGCQCFKSA-N 2 2 351.451 0.574 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413212479 532995241 /nfs/dbraw/zinc/99/52/41/532995241.db2.gz YUHAWVXCMANZMT-DZGCQCFKSA-N 2 2 351.451 0.574 20 0 FCADLP CN(C)C(=O)N1CCC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000058969096 208009458 /nfs/dbraw/zinc/00/94/58/208009458.db2.gz DLVGOKYIHDUFDS-UHFFFAOYSA-N 2 2 367.538 0.864 20 0 FCADLP CN(C)C(=O)N1CCC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000058969096 208009466 /nfs/dbraw/zinc/00/94/66/208009466.db2.gz DLVGOKYIHDUFDS-UHFFFAOYSA-N 2 2 367.538 0.864 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000072961356 208041569 /nfs/dbraw/zinc/04/15/69/208041569.db2.gz GFQMAMYGHNHUSL-QGZVFWFLSA-N 2 2 360.458 0.150 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000072961356 208041576 /nfs/dbraw/zinc/04/15/76/208041576.db2.gz GFQMAMYGHNHUSL-QGZVFWFLSA-N 2 2 360.458 0.150 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000081528862 208101808 /nfs/dbraw/zinc/10/18/08/208101808.db2.gz JFJZIBZOUQJQJQ-HUUCEWRRSA-N 2 2 370.519 0.685 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077344929 208073134 /nfs/dbraw/zinc/07/31/34/208073134.db2.gz OUSUDCAADOLZKU-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077344924 208073145 /nfs/dbraw/zinc/07/31/45/208073145.db2.gz OUSUDCAADOLZKU-CVEARBPZSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000077593821 208073805 /nfs/dbraw/zinc/07/38/05/208073805.db2.gz CDTJLAAKZJWEHA-IRXDYDNUSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000079252398 208089443 /nfs/dbraw/zinc/08/94/43/208089443.db2.gz QCWSAPKEIXOFPM-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000104719619 208182872 /nfs/dbraw/zinc/18/28/72/208182872.db2.gz HIWBFXACAMKKSM-MRXNPFEDSA-N 2 2 361.490 0.765 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000105077857 208190223 /nfs/dbraw/zinc/19/02/23/208190223.db2.gz JVPDYPAEFNJXOO-UHFFFAOYSA-N 2 2 368.522 0.995 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC000106517251 208225859 /nfs/dbraw/zinc/22/58/59/208225859.db2.gz VJYNZUFJORLBOB-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477711 208313369 /nfs/dbraw/zinc/31/33/69/208313369.db2.gz BWNUXHZZAQBXQK-HZPDHXFCSA-N 2 2 362.474 0.836 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477711 208313376 /nfs/dbraw/zinc/31/33/76/208313376.db2.gz BWNUXHZZAQBXQK-HZPDHXFCSA-N 2 2 362.474 0.836 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)C2)CC1 ZINC000111867647 208287586 /nfs/dbraw/zinc/28/75/86/208287586.db2.gz JEUHVLZQWGWKNV-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)C2)CC1 ZINC000111867647 208287590 /nfs/dbraw/zinc/28/75/90/208287590.db2.gz JEUHVLZQWGWKNV-ZWKOTPCHSA-N 2 2 367.538 0.519 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000112204976 208290931 /nfs/dbraw/zinc/29/09/31/208290931.db2.gz MOVFIUGAGNRGMH-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP CCS(=O)(=O)NCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119235994 208357288 /nfs/dbraw/zinc/35/72/88/208357288.db2.gz DZNUKZGPSZLTTG-UHFFFAOYSA-N 2 2 361.431 0.952 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120607258 208385200 /nfs/dbraw/zinc/38/52/00/208385200.db2.gz KFYKPNWBPBIZPU-IBGZPJMESA-N 2 2 364.490 0.631 20 0 FCADLP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000121228124 208398770 /nfs/dbraw/zinc/39/87/70/208398770.db2.gz UXEKCGMGFCWOJR-GOEBONIOSA-N 2 2 353.488 0.890 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477469 210341781 /nfs/dbraw/zinc/34/17/81/210341781.db2.gz UKTYKVOFAFFGMA-MOPGFXCFSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000266477469 210341783 /nfs/dbraw/zinc/34/17/83/210341783.db2.gz UKTYKVOFAFFGMA-MOPGFXCFSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266477469 210341784 /nfs/dbraw/zinc/34/17/84/210341784.db2.gz UKTYKVOFAFFGMA-MOPGFXCFSA-N 2 2 360.502 0.640 20 0 FCADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266477469 210341787 /nfs/dbraw/zinc/34/17/87/210341787.db2.gz UKTYKVOFAFFGMA-MOPGFXCFSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945146 533209009 /nfs/dbraw/zinc/20/90/09/533209009.db2.gz PAONZTAWBAPPAB-JKSUJKDBSA-N 2 2 359.474 0.529 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945146 533209012 /nfs/dbraw/zinc/20/90/12/533209012.db2.gz PAONZTAWBAPPAB-JKSUJKDBSA-N 2 2 359.474 0.529 20 0 FCADLP Cc1cccn2c(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000177353594 209021921 /nfs/dbraw/zinc/02/19/21/209021921.db2.gz FJIZBAYCSNVLOK-INIZCTEOSA-N 2 2 357.458 0.665 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178069507 209041777 /nfs/dbraw/zinc/04/17/77/209041777.db2.gz ZXGFVZZITXRCCR-LBPRGKRZSA-N 2 2 357.451 0.654 20 0 FCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000178892270 209064551 /nfs/dbraw/zinc/06/45/51/209064551.db2.gz GHPGNPLSFBNSSS-INIZCTEOSA-N 2 2 352.866 0.567 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000178803485 209061936 /nfs/dbraw/zinc/06/19/36/209061936.db2.gz HONATVDUFFKUOF-KVSKMBFKSA-N 2 2 374.485 0.372 20 0 FCADLP C[C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000178804081 209062032 /nfs/dbraw/zinc/06/20/32/209062032.db2.gz QTXPLIIRMLWQKX-RDJZCZTQSA-N 2 2 366.506 0.062 20 0 FCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000178819193 209062196 /nfs/dbraw/zinc/06/21/96/209062196.db2.gz ULJXFOYIBORZSZ-IAGOWNOFSA-N 2 2 360.458 0.126 20 0 FCADLP Cc1cc(C)cc(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000051768429 221036954 /nfs/dbraw/zinc/03/69/54/221036954.db2.gz SAEJTSQGHDSAEP-UHFFFAOYSA-N 2 2 366.531 0.913 20 0 FCADLP O=C1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CN1CC[NH+]1CCOCC1 ZINC000178904575 209065893 /nfs/dbraw/zinc/06/58/93/209065893.db2.gz RXEXUHSYJSFSAE-SFHVURJKSA-N 2 2 373.501 0.705 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000412361098 533508780 /nfs/dbraw/zinc/50/87/80/533508780.db2.gz SOLAFIGSYVDKKL-CQSZACIVSA-N 2 2 357.414 0.882 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000412361098 533508786 /nfs/dbraw/zinc/50/87/86/533508786.db2.gz SOLAFIGSYVDKKL-CQSZACIVSA-N 2 2 357.414 0.882 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175736072 229214547 /nfs/dbraw/zinc/21/45/47/229214547.db2.gz VTSBXGYQPPSHEW-HOCLYGCPSA-N 2 2 353.467 0.162 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175813327 229215986 /nfs/dbraw/zinc/21/59/86/229215986.db2.gz MQSYUGCZJRQXGE-INIZCTEOSA-N 2 2 353.467 0.306 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)O1 ZINC000262088338 229297176 /nfs/dbraw/zinc/29/71/76/229297176.db2.gz UGAONOVOBLLRIX-JQHSSLGASA-N 2 2 363.458 0.077 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000410474420 230093411 /nfs/dbraw/zinc/09/34/11/230093411.db2.gz XIUPRDGOMKKTIM-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000410474420 230093414 /nfs/dbraw/zinc/09/34/14/230093414.db2.gz XIUPRDGOMKKTIM-RTBURBONSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000410888069 230291747 /nfs/dbraw/zinc/29/17/47/230291747.db2.gz KBEFJRZHGBDGLO-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)[N@H+]1C ZINC000410919725 230304454 /nfs/dbraw/zinc/30/44/54/230304454.db2.gz NDEXZKVXZQRDMW-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)[N@@H+]1C ZINC000410919725 230304458 /nfs/dbraw/zinc/30/44/58/230304458.db2.gz NDEXZKVXZQRDMW-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)[NH+]1C ZINC000410919725 230304462 /nfs/dbraw/zinc/30/44/62/230304462.db2.gz NDEXZKVXZQRDMW-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)[NH+]1C ZINC000410919725 230304464 /nfs/dbraw/zinc/30/44/64/230304464.db2.gz NDEXZKVXZQRDMW-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507202935 484164353 /nfs/dbraw/zinc/16/43/53/484164353.db2.gz RVFYKMITZWFULX-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507202935 484164357 /nfs/dbraw/zinc/16/43/57/484164357.db2.gz RVFYKMITZWFULX-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP CC(C)(C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000278581282 488882985 /nfs/dbraw/zinc/88/29/85/488882985.db2.gz BQSJWKDMYPCANW-SFHVURJKSA-N 2 2 361.486 0.980 20 0 FCADLP CC(C)(C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000278581282 488882989 /nfs/dbraw/zinc/88/29/89/488882989.db2.gz BQSJWKDMYPCANW-SFHVURJKSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCN(C)CC1 ZINC000363998487 488910432 /nfs/dbraw/zinc/91/04/32/488910432.db2.gz WHPVUCPAMDVYMF-MRXNPFEDSA-N 2 2 362.522 0.945 20 0 FCADLP C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)CN1CC[NH+](C)CC1 ZINC000363998487 488910436 /nfs/dbraw/zinc/91/04/36/488910436.db2.gz WHPVUCPAMDVYMF-MRXNPFEDSA-N 2 2 362.522 0.945 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000287852747 488913258 /nfs/dbraw/zinc/91/32/58/488913258.db2.gz MLRLNNMUZZWRPR-JJRVBVJISA-N 2 2 360.462 0.620 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000287852747 488913259 /nfs/dbraw/zinc/91/32/59/488913259.db2.gz MLRLNNMUZZWRPR-JJRVBVJISA-N 2 2 360.462 0.620 20 0 FCADLP CC1(C)C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000364017020 488913600 /nfs/dbraw/zinc/91/36/00/488913600.db2.gz ZFFCIBXOKHJPOF-MRXNPFEDSA-N 2 2 353.507 0.840 20 0 FCADLP CC1(C)C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000364017020 488913604 /nfs/dbraw/zinc/91/36/04/488913604.db2.gz ZFFCIBXOKHJPOF-MRXNPFEDSA-N 2 2 353.507 0.840 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCNC1=O ZINC000364114115 488924420 /nfs/dbraw/zinc/92/44/20/488924420.db2.gz HGGPUNMGHCZTPV-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCNC1=O ZINC000364114115 488924422 /nfs/dbraw/zinc/92/44/22/488924422.db2.gz HGGPUNMGHCZTPV-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOC4(CCOCC4)CC3)cn2)CC1 ZINC000364223502 488937623 /nfs/dbraw/zinc/93/76/23/488937623.db2.gz ALXHBIYPFAXTIA-UHFFFAOYSA-N 2 2 361.490 1.000 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOC4(CCOCC4)CC3)cn2)CC1 ZINC000364223502 488937626 /nfs/dbraw/zinc/93/76/26/488937626.db2.gz ALXHBIYPFAXTIA-UHFFFAOYSA-N 2 2 361.490 1.000 20 0 FCADLP CNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000024242878 487642537 /nfs/dbraw/zinc/64/25/37/487642537.db2.gz VCKAGHKPLVKNBJ-UHFFFAOYSA-N 2 2 358.486 0.789 20 0 FCADLP C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025498594 487666915 /nfs/dbraw/zinc/66/69/15/487666915.db2.gz VQWXXLPOXUDBTA-AWEZNQCLSA-N 2 2 357.462 0.744 20 0 FCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025498594 487666921 /nfs/dbraw/zinc/66/69/21/487666921.db2.gz VQWXXLPOXUDBTA-AWEZNQCLSA-N 2 2 357.462 0.744 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000026701187 487684561 /nfs/dbraw/zinc/68/45/61/487684561.db2.gz ALPBQVSPSQFXBA-UHFFFAOYSA-N 2 2 364.417 0.757 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000031922786 487767116 /nfs/dbraw/zinc/76/71/16/487767116.db2.gz JCJRBHIFKNVEMK-UHFFFAOYSA-N 2 2 370.457 0.988 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(O)CC1 ZINC000042335255 487862423 /nfs/dbraw/zinc/86/24/23/487862423.db2.gz OKOCCISSDDUPQF-INIZCTEOSA-N 2 2 361.486 0.980 20 0 FCADLP CC[NH+]1CCC(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000043291711 487895800 /nfs/dbraw/zinc/89/58/00/487895800.db2.gz NBQRTRMCFGBHMK-UHFFFAOYSA-N 2 2 372.477 0.679 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000047500555 488032766 /nfs/dbraw/zinc/03/27/66/488032766.db2.gz OQNUZSHPSGIEKW-UHFFFAOYSA-N 2 2 362.478 0.783 20 0 FCADLP CC(=O)NC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000050990633 488120104 /nfs/dbraw/zinc/12/01/04/488120104.db2.gz LLDMADHLINUGJN-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)COC[C@@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760707 488144830 /nfs/dbraw/zinc/14/48/30/488144830.db2.gz JITUIURIAZVHCS-SFHVURJKSA-N 2 2 370.538 0.878 20 0 FCADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000329070980 488965975 /nfs/dbraw/zinc/96/59/75/488965975.db2.gz YSGJCHHXAJZFLY-GASCZTMLSA-N 2 2 371.507 0.163 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000364496744 488966165 /nfs/dbraw/zinc/96/61/65/488966165.db2.gz UBHRUWAIIDBRFP-QGZVFWFLSA-N 2 2 366.506 0.159 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329126133 488971660 /nfs/dbraw/zinc/97/16/60/488971660.db2.gz UBWBSJDLDMVPQA-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329126133 488971662 /nfs/dbraw/zinc/97/16/62/488971662.db2.gz UBWBSJDLDMVPQA-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000061136932 488293760 /nfs/dbraw/zinc/29/37/60/488293760.db2.gz PHVPAPVYLSZFRT-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC[NH+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000061745417 488297516 /nfs/dbraw/zinc/29/75/16/488297516.db2.gz DBJPHXUEYBIMBO-UHFFFAOYSA-N 2 2 352.523 0.775 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069859161 488374228 /nfs/dbraw/zinc/37/42/28/488374228.db2.gz PVFMDWLINUXKSS-SJLPKXTDSA-N 2 2 366.506 0.110 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000069859161 488374229 /nfs/dbraw/zinc/37/42/29/488374229.db2.gz PVFMDWLINUXKSS-SJLPKXTDSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@](O)(CNC(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000073570942 488384952 /nfs/dbraw/zinc/38/49/52/488384952.db2.gz AVDOCAPQRVZVMA-SFHVURJKSA-N 2 2 361.446 0.259 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073882875 488386670 /nfs/dbraw/zinc/38/66/70/488386670.db2.gz MJTNYFWLVDQAGG-IBGZPJMESA-N 2 2 360.502 0.988 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073882875 488386671 /nfs/dbraw/zinc/38/66/71/488386671.db2.gz MJTNYFWLVDQAGG-IBGZPJMESA-N 2 2 360.502 0.988 20 0 FCADLP C[C@@H](CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182667609 488389013 /nfs/dbraw/zinc/38/90/13/488389013.db2.gz FUEXYZVBIJQVDQ-DLBZAZTESA-N 2 2 356.511 0.585 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1=O ZINC000074256435 488389790 /nfs/dbraw/zinc/38/97/90/488389790.db2.gz RYFUDXCKNBBLPC-GOSISDBHSA-N 2 2 369.469 0.958 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554335318 491194999 /nfs/dbraw/zinc/19/49/99/491194999.db2.gz TWFWZFLTLUBTCZ-CVEARBPZSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000554335318 491195003 /nfs/dbraw/zinc/19/50/03/491195003.db2.gz TWFWZFLTLUBTCZ-CVEARBPZSA-N 2 2 354.495 0.155 20 0 FCADLP CSCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000184605426 488397120 /nfs/dbraw/zinc/39/71/20/488397120.db2.gz DBVRDIWZXWMGBT-AWEZNQCLSA-N 2 2 362.503 0.887 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000554335191 491195460 /nfs/dbraw/zinc/19/54/60/491195460.db2.gz FPTGIUQWPOJLSJ-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000554335191 491195462 /nfs/dbraw/zinc/19/54/62/491195462.db2.gz FPTGIUQWPOJLSJ-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335191 491195467 /nfs/dbraw/zinc/19/54/67/491195467.db2.gz FPTGIUQWPOJLSJ-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000554335191 491195470 /nfs/dbraw/zinc/19/54/70/491195470.db2.gz FPTGIUQWPOJLSJ-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000185430641 488400693 /nfs/dbraw/zinc/40/06/93/488400693.db2.gz WVCSZLTZPOSXIN-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP C[C@@H](CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000185430641 488400695 /nfs/dbraw/zinc/40/06/95/488400695.db2.gz WVCSZLTZPOSXIN-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000186300902 488405596 /nfs/dbraw/zinc/40/55/96/488405596.db2.gz ARODMTJWRRHJBU-AZUAARDMSA-N 2 2 374.529 0.682 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076820857 488407321 /nfs/dbraw/zinc/40/73/21/488407321.db2.gz XFFNPAZILNVIEO-ITNZAGEZSA-N 2 2 364.515 0.962 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076820857 488407323 /nfs/dbraw/zinc/40/73/23/488407323.db2.gz XFFNPAZILNVIEO-ITNZAGEZSA-N 2 2 364.515 0.962 20 0 FCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H](C)[N@H+]1CCCN1CCOCC1 ZINC000187116162 488408949 /nfs/dbraw/zinc/40/89/49/488408949.db2.gz ZNENYQUESQVDKB-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H](C)[N@@H+]1CCCN1CCOCC1 ZINC000187116162 488408951 /nfs/dbraw/zinc/40/89/51/488408951.db2.gz ZNENYQUESQVDKB-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@H](C)N1CCC[NH+]1CCOCC1 ZINC000187116162 488408954 /nfs/dbraw/zinc/40/89/54/488408954.db2.gz ZNENYQUESQVDKB-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCOCC2)C[C@H](C)N1CCC[NH+]1CCOCC1 ZINC000187116162 488408956 /nfs/dbraw/zinc/40/89/56/488408956.db2.gz ZNENYQUESQVDKB-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@H](C)C2)CCO1 ZINC000191563484 488420050 /nfs/dbraw/zinc/42/00/50/488420050.db2.gz XPQWOABVSZADLR-GUDVDZBRSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@H](C)C2)CCO1 ZINC000191563484 488420051 /nfs/dbraw/zinc/42/00/51/488420051.db2.gz XPQWOABVSZADLR-GUDVDZBRSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@H](C)C3)[C@H](C)C2)CCO1 ZINC000191563484 488420052 /nfs/dbraw/zinc/42/00/52/488420052.db2.gz XPQWOABVSZADLR-GUDVDZBRSA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1COCCN1CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761147 488423997 /nfs/dbraw/zinc/42/39/97/488423997.db2.gz WVBBVSNMYJMQNY-MOPGFXCFSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761147 488423998 /nfs/dbraw/zinc/42/39/98/488423998.db2.gz WVBBVSNMYJMQNY-MOPGFXCFSA-N 2 2 368.566 0.824 20 0 FCADLP C[C@@H]1COCCN1CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C(C)(C)C1 ZINC000192761147 488423999 /nfs/dbraw/zinc/42/39/99/488423999.db2.gz WVBBVSNMYJMQNY-MOPGFXCFSA-N 2 2 368.566 0.824 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000083702894 488448169 /nfs/dbraw/zinc/44/81/69/488448169.db2.gz IWAIARRZTGWHEP-INIZCTEOSA-N 2 2 365.478 0.096 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000083733711 488448897 /nfs/dbraw/zinc/44/88/97/488448897.db2.gz QLPSNNSPUVDBHZ-RDJZCZTQSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000083733711 488448900 /nfs/dbraw/zinc/44/89/00/488448900.db2.gz QLPSNNSPUVDBHZ-RDJZCZTQSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268822599 488452123 /nfs/dbraw/zinc/45/21/23/488452123.db2.gz PRRMCLNXXAEJJO-MRXNPFEDSA-N 2 2 361.490 0.967 20 0 FCADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN1CC[NH2+]CC1=O ZINC000236897825 488453596 /nfs/dbraw/zinc/45/35/96/488453596.db2.gz WEAWTJYIERIEDV-UHFFFAOYSA-N 2 2 372.473 0.748 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000087135900 488453792 /nfs/dbraw/zinc/45/37/92/488453792.db2.gz RGTBIYYNTNBFQK-JKSUJKDBSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000087135900 488453794 /nfs/dbraw/zinc/45/37/94/488453794.db2.gz RGTBIYYNTNBFQK-JKSUJKDBSA-N 2 2 363.506 0.561 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000237009652 488454061 /nfs/dbraw/zinc/45/40/61/488454061.db2.gz FFHLUCHNLXYSSV-UHFFFAOYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000087135906 488454141 /nfs/dbraw/zinc/45/41/41/488454141.db2.gz RGTBIYYNTNBFQK-CVEARBPZSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000087135906 488454144 /nfs/dbraw/zinc/45/41/44/488454144.db2.gz RGTBIYYNTNBFQK-CVEARBPZSA-N 2 2 363.506 0.561 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237462372 488455360 /nfs/dbraw/zinc/45/53/60/488455360.db2.gz KXMNDQVVLGSBGO-KDOFPFPSSA-N 2 2 356.470 0.685 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237420821 488455587 /nfs/dbraw/zinc/45/55/87/488455587.db2.gz CGCSROGKLFNJQB-GDBMZVCRSA-N 2 2 368.547 0.673 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237525290 488456144 /nfs/dbraw/zinc/45/61/44/488456144.db2.gz KXMNDQVVLGSBGO-KSSFIOAISA-N 2 2 356.470 0.685 20 0 FCADLP C[C@H]([NH2+]C1(CNC(=O)CN2CC[NH2+]CC2=O)CCOCC1)c1ccccc1 ZINC000237524985 488456194 /nfs/dbraw/zinc/45/61/94/488456194.db2.gz AAAXSOKMCHRMRS-INIZCTEOSA-N 2 2 374.485 0.434 20 0 FCADLP [NH3+]C1(CC(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CCC1 ZINC000237987610 488457620 /nfs/dbraw/zinc/45/76/20/488457620.db2.gz XOLRXBYRJNEGGK-UHFFFAOYSA-N 2 2 362.449 0.971 20 0 FCADLP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000238082124 488458931 /nfs/dbraw/zinc/45/89/31/488458931.db2.gz RNIYEAATNYIOSJ-HNNXBMFYSA-N 2 2 354.520 0.238 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000090012060 488459944 /nfs/dbraw/zinc/45/99/44/488459944.db2.gz CUNGLSPLPFIAJI-UHFFFAOYSA-N 2 2 374.551 0.381 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000246101065 488469445 /nfs/dbraw/zinc/46/94/45/488469445.db2.gz ILOXYNXWQMVCTL-LMMKCTJWSA-N 2 2 370.538 0.831 20 0 FCADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246305298 488471756 /nfs/dbraw/zinc/47/17/56/488471756.db2.gz OHKQBBNOMRONGP-YESZJQIVSA-N 2 2 366.506 0.333 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC1 ZINC000093178797 488478167 /nfs/dbraw/zinc/47/81/67/488478167.db2.gz UFCXBDSLRSGRIS-KRWDZBQOSA-N 2 2 358.486 0.902 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC1 ZINC000093178797 488478169 /nfs/dbraw/zinc/47/81/69/488478169.db2.gz UFCXBDSLRSGRIS-KRWDZBQOSA-N 2 2 358.486 0.902 20 0 FCADLP COCC[N@H+](CCOc1ccc(F)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000093173063 488478301 /nfs/dbraw/zinc/47/83/01/488478301.db2.gz GFMRGUBAMYBWCM-UHFFFAOYSA-N 2 2 353.438 0.927 20 0 FCADLP COCC[N@@H+](CCOc1ccc(F)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000093173063 488478302 /nfs/dbraw/zinc/47/83/02/488478302.db2.gz GFMRGUBAMYBWCM-UHFFFAOYSA-N 2 2 353.438 0.927 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269225718 488480316 /nfs/dbraw/zinc/48/03/16/488480316.db2.gz DKRMLUIXSPMVOY-UHFFFAOYSA-N 2 2 371.485 0.884 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247061269 488481271 /nfs/dbraw/zinc/48/12/71/488481271.db2.gz ZDAIFNFBPJHGMY-GJZGRUSLSA-N 2 2 360.524 0.231 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000247061269 488481275 /nfs/dbraw/zinc/48/12/75/488481275.db2.gz ZDAIFNFBPJHGMY-GJZGRUSLSA-N 2 2 360.524 0.231 20 0 FCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000269250865 488482180 /nfs/dbraw/zinc/48/21/80/488482180.db2.gz GUNPXSPWYVIANE-MOPGFXCFSA-N 2 2 361.486 0.815 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269269014 488484675 /nfs/dbraw/zinc/48/46/75/488484675.db2.gz QTVXRHXYBIQGPL-IAGOWNOFSA-N 2 2 361.490 0.477 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247880295 488491275 /nfs/dbraw/zinc/49/12/75/488491275.db2.gz ZFJKRDRSLWHAAV-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247880295 488491280 /nfs/dbraw/zinc/49/12/80/488491280.db2.gz ZFJKRDRSLWHAAV-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247880295 488491286 /nfs/dbraw/zinc/49/12/86/488491286.db2.gz ZFJKRDRSLWHAAV-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000105105624 488507130 /nfs/dbraw/zinc/50/71/30/488507130.db2.gz ONYPOTPPHJHONV-KURKYZTESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000105105624 488507132 /nfs/dbraw/zinc/50/71/32/488507132.db2.gz ONYPOTPPHJHONV-KURKYZTESA-N 2 2 369.554 0.667 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)C(C)(C)C ZINC000105217783 488508105 /nfs/dbraw/zinc/50/81/05/488508105.db2.gz KNZODCFXZHABDS-UHFFFAOYSA-N 2 2 355.527 0.816 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCNC(=O)C(C)(C)C ZINC000105217783 488508108 /nfs/dbraw/zinc/50/81/08/488508108.db2.gz KNZODCFXZHABDS-UHFFFAOYSA-N 2 2 355.527 0.816 20 0 FCADLP COc1cc[nH+]c(N2CCN(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000105414321 488509696 /nfs/dbraw/zinc/50/96/96/488509696.db2.gz QBINPDSHTOCSNP-IXDOHACOSA-N 2 2 364.490 0.682 20 0 FCADLP COc1cc[nH+]c(N2CCN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000105414321 488509701 /nfs/dbraw/zinc/50/97/01/488509701.db2.gz QBINPDSHTOCSNP-IXDOHACOSA-N 2 2 364.490 0.682 20 0 FCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000105414321 488509704 /nfs/dbraw/zinc/50/97/04/488509704.db2.gz QBINPDSHTOCSNP-IXDOHACOSA-N 2 2 364.490 0.682 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000249429291 488509936 /nfs/dbraw/zinc/50/99/36/488509936.db2.gz JGVRWILBDGYJTC-PHZGNYQRSA-N 2 2 358.446 0.675 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000106525404 488515176 /nfs/dbraw/zinc/51/51/76/488515176.db2.gz ABKKHSJFZYMSAF-ROUUACIJSA-N 2 2 368.570 0.194 20 0 FCADLP CC(C)[C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000106461176 488515303 /nfs/dbraw/zinc/51/53/03/488515303.db2.gz ZEKWPUKPGLWTIH-GOSISDBHSA-N 2 2 361.490 0.823 20 0 FCADLP COCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000270364028 488515699 /nfs/dbraw/zinc/51/56/99/488515699.db2.gz KXLMBUCCXKXNPI-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000251550818 488516563 /nfs/dbraw/zinc/51/65/63/488516563.db2.gz FMVDTKOJGXIREL-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000251550818 488516564 /nfs/dbraw/zinc/51/65/64/488516564.db2.gz FMVDTKOJGXIREL-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000107371348 488517419 /nfs/dbraw/zinc/51/74/19/488517419.db2.gz BDGMZESVCNLZMV-SFHVURJKSA-N 3 2 351.539 0.299 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000109949829 488524691 /nfs/dbraw/zinc/52/46/91/488524691.db2.gz YXGJSYWROFQARW-UHFFFAOYSA-N 2 2 373.545 0.688 20 0 FCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000109949829 488524694 /nfs/dbraw/zinc/52/46/94/488524694.db2.gz YXGJSYWROFQARW-UHFFFAOYSA-N 2 2 373.545 0.688 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc2[nH+]1 ZINC000271585253 488528581 /nfs/dbraw/zinc/52/85/81/488528581.db2.gz CLTFTOVDEUEUJA-AWEZNQCLSA-N 2 2 372.429 0.037 20 0 FCADLP Cc1cn2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccc2[nH+]1 ZINC000271585253 488528583 /nfs/dbraw/zinc/52/85/83/488528583.db2.gz CLTFTOVDEUEUJA-AWEZNQCLSA-N 2 2 372.429 0.037 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000111512129 488529439 /nfs/dbraw/zinc/52/94/39/488529439.db2.gz QVMWPQJVQAEKHB-DOTOQJQBSA-N 2 2 365.522 0.855 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000111512129 488529440 /nfs/dbraw/zinc/52/94/40/488529440.db2.gz QVMWPQJVQAEKHB-DOTOQJQBSA-N 2 2 365.522 0.855 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000111811670 488531566 /nfs/dbraw/zinc/53/15/66/488531566.db2.gz NPTVOWUNXALERU-KRWDZBQOSA-N 2 2 356.511 0.707 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261701226 488531795 /nfs/dbraw/zinc/53/17/95/488531795.db2.gz BMPFIHVZWYJHKS-ZDUSSCGKSA-N 2 2 355.364 0.829 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000112921540 488536920 /nfs/dbraw/zinc/53/69/20/488536920.db2.gz QRYTYFNPOKRGCQ-UHFFFAOYSA-N 2 2 374.493 0.274 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000112921540 488536922 /nfs/dbraw/zinc/53/69/22/488536922.db2.gz QRYTYFNPOKRGCQ-UHFFFAOYSA-N 2 2 374.493 0.274 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000112921540 488536923 /nfs/dbraw/zinc/53/69/23/488536923.db2.gz QRYTYFNPOKRGCQ-UHFFFAOYSA-N 2 2 374.493 0.274 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000112921540 488536925 /nfs/dbraw/zinc/53/69/25/488536925.db2.gz QRYTYFNPOKRGCQ-UHFFFAOYSA-N 2 2 374.493 0.274 20 0 FCADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261817147 488537023 /nfs/dbraw/zinc/53/70/23/488537023.db2.gz RZXUQENWQRTMOU-GOSISDBHSA-N 2 2 366.469 0.772 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261891108 488540057 /nfs/dbraw/zinc/54/00/57/488540057.db2.gz QPRNYLXACQCLOQ-RDJZCZTQSA-N 2 2 369.473 0.743 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261891108 488540058 /nfs/dbraw/zinc/54/00/58/488540058.db2.gz QPRNYLXACQCLOQ-RDJZCZTQSA-N 2 2 369.473 0.743 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261891111 488540124 /nfs/dbraw/zinc/54/01/24/488540124.db2.gz QPRNYLXACQCLOQ-WBVHZDCISA-N 2 2 369.473 0.743 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261891111 488540125 /nfs/dbraw/zinc/54/01/25/488540125.db2.gz QPRNYLXACQCLOQ-WBVHZDCISA-N 2 2 369.473 0.743 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114480107 488540764 /nfs/dbraw/zinc/54/07/64/488540764.db2.gz GMIRERYYAAYCKL-HNNXBMFYSA-N 2 2 362.474 0.976 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114480107 488540766 /nfs/dbraw/zinc/54/07/66/488540766.db2.gz GMIRERYYAAYCKL-HNNXBMFYSA-N 2 2 362.474 0.976 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261939042 488542503 /nfs/dbraw/zinc/54/25/03/488542503.db2.gz ZYUUPXAQWUSSAL-HOTGVXAUSA-N 2 2 354.495 0.062 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000261986108 488544608 /nfs/dbraw/zinc/54/46/08/488544608.db2.gz JXZHCIIXVZMUES-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)oc1C ZINC000271985611 488556716 /nfs/dbraw/zinc/55/67/16/488556716.db2.gz OKUZOIHFJNPQTG-AWEZNQCLSA-N 2 2 365.430 0.397 20 0 FCADLP Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262307295 488562764 /nfs/dbraw/zinc/56/27/64/488562764.db2.gz YLXLRJQXDLKZDG-UONOGXRCSA-N 2 2 365.503 0.970 20 0 FCADLP Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262307295 488562767 /nfs/dbraw/zinc/56/27/67/488562767.db2.gz YLXLRJQXDLKZDG-UONOGXRCSA-N 2 2 365.503 0.970 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311904 488563358 /nfs/dbraw/zinc/56/33/58/488563358.db2.gz QLIDBLWVHAVLDC-XUWXXGDYSA-N 2 2 363.458 0.771 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)C2)cc(OC)c1 ZINC000262311904 488563359 /nfs/dbraw/zinc/56/33/59/488563359.db2.gz QLIDBLWVHAVLDC-XUWXXGDYSA-N 2 2 363.458 0.771 20 0 FCADLP CS(=O)(=O)C1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262330407 488564211 /nfs/dbraw/zinc/56/42/11/488564211.db2.gz GPLNBEVXVUVIRC-MRXNPFEDSA-N 2 2 365.499 0.544 20 0 FCADLP COCC1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC[NH2+]CC1 ZINC000262337750 488564736 /nfs/dbraw/zinc/56/47/36/488564736.db2.gz GJLFMIBHWNOMMV-HNNXBMFYSA-N 2 2 362.474 0.939 20 0 FCADLP C[NH2+][C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1cnn(C)c1 ZINC000262347833 488564965 /nfs/dbraw/zinc/56/49/65/488564965.db2.gz ISINVXBKDYATHP-QGZVFWFLSA-N 2 2 357.462 0.144 20 0 FCADLP COCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC000262352442 488565740 /nfs/dbraw/zinc/56/57/40/488565740.db2.gz IVIBVFZMOFWLPA-UHFFFAOYSA-N 2 2 366.506 0.159 20 0 FCADLP COCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]CC1 ZINC000262352442 488565742 /nfs/dbraw/zinc/56/57/42/488565742.db2.gz IVIBVFZMOFWLPA-UHFFFAOYSA-N 2 2 366.506 0.159 20 0 FCADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000121284676 488565968 /nfs/dbraw/zinc/56/59/68/488565968.db2.gz NGZQAQCXOXDZLI-CYBMUJFWSA-N 2 2 354.476 0.101 20 0 FCADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000121284676 488565971 /nfs/dbraw/zinc/56/59/71/488565971.db2.gz NGZQAQCXOXDZLI-CYBMUJFWSA-N 2 2 354.476 0.101 20 0 FCADLP C[NH2+][C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1cnn(C)c1 ZINC000262463681 488571507 /nfs/dbraw/zinc/57/15/07/488571507.db2.gz XNYRFFFXKZTGOB-GOEBONIOSA-N 2 2 353.492 0.005 20 0 FCADLP C[NH2+][C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000262475134 488572613 /nfs/dbraw/zinc/57/26/13/488572613.db2.gz YSGANBLIIPXBSD-QGZVFWFLSA-N 2 2 370.457 0.707 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000121909421 488572679 /nfs/dbraw/zinc/57/26/79/488572679.db2.gz FNFSMAZPMGCHKV-IEBWSBKVSA-N 2 2 364.490 0.672 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000121909121 488572815 /nfs/dbraw/zinc/57/28/15/488572815.db2.gz FNFSMAZPMGCHKV-PKOBYXMFSA-N 2 2 364.490 0.672 20 0 FCADLP C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCN(C)CC1 ZINC000122469568 488578808 /nfs/dbraw/zinc/57/88/08/488578808.db2.gz BWWBGWKRRVWOPQ-DLBZAZTESA-N 2 2 360.506 0.843 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000262660996 488585009 /nfs/dbraw/zinc/58/50/09/488585009.db2.gz GFKQRFVJGJLYEV-HNNXBMFYSA-N 2 2 363.458 0.966 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C1 ZINC000262793366 488593807 /nfs/dbraw/zinc/59/38/07/488593807.db2.gz OZHNEFTZUPKUOM-KRWDZBQOSA-N 2 2 350.463 0.605 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C1 ZINC000262793366 488593808 /nfs/dbraw/zinc/59/38/08/488593808.db2.gz OZHNEFTZUPKUOM-KRWDZBQOSA-N 2 2 350.463 0.605 20 0 FCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000262874082 488597475 /nfs/dbraw/zinc/59/74/75/488597475.db2.gz MPDKFKVLLYIXDA-INIZCTEOSA-N 2 2 351.447 0.378 20 0 FCADLP COC(=O)Cn1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)nn1 ZINC000125791430 488604028 /nfs/dbraw/zinc/60/40/28/488604028.db2.gz HLUVRXGHWAOYOJ-UHFFFAOYSA-N 2 2 365.478 0.823 20 0 FCADLP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000263247019 488607369 /nfs/dbraw/zinc/60/73/69/488607369.db2.gz IAHOTUWCFGHRAP-HZPDHXFCSA-N 2 2 360.458 0.815 20 0 FCADLP [NH3+]C1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000263256871 488607825 /nfs/dbraw/zinc/60/78/25/488607825.db2.gz LFKQGWWLGCSLFW-UHFFFAOYSA-N 2 2 360.458 0.959 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263276688 488608512 /nfs/dbraw/zinc/60/85/12/488608512.db2.gz YQNRWAGUWLYMQI-INIZCTEOSA-N 2 2 351.451 0.035 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000126328489 488608510 /nfs/dbraw/zinc/60/85/10/488608510.db2.gz WIAHXIMRFNIUFY-UHFFFAOYSA-N 2 2 365.522 0.844 20 0 FCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000126328489 488608513 /nfs/dbraw/zinc/60/85/13/488608513.db2.gz WIAHXIMRFNIUFY-UHFFFAOYSA-N 2 2 365.522 0.844 20 0 FCADLP CC(C)CN1N=C(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1=O ZINC000128796918 488626211 /nfs/dbraw/zinc/62/62/11/488626211.db2.gz HVJPKZCSHDSASG-UHFFFAOYSA-N 2 2 351.495 0.763 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129667062 488633221 /nfs/dbraw/zinc/63/32/21/488633221.db2.gz CLKCMKWPOQGEIA-OAHLLOKOSA-N 2 2 360.458 0.768 20 0 FCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129667062 488633223 /nfs/dbraw/zinc/63/32/23/488633223.db2.gz CLKCMKWPOQGEIA-OAHLLOKOSA-N 2 2 360.458 0.768 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000131302616 488644829 /nfs/dbraw/zinc/64/48/29/488644829.db2.gz QUYSPHWLYOUIBW-HXUWFJFHSA-N 2 2 374.529 0.963 20 0 FCADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000131302616 488644831 /nfs/dbraw/zinc/64/48/31/488644831.db2.gz QUYSPHWLYOUIBW-HXUWFJFHSA-N 2 2 374.529 0.963 20 0 FCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000133846117 488662689 /nfs/dbraw/zinc/66/26/89/488662689.db2.gz HBQZTVKSEOQSKT-OAHLLOKOSA-N 2 2 354.520 0.142 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000570097026 491216164 /nfs/dbraw/zinc/21/61/64/491216164.db2.gz XUWYXOGCWFVZHP-WBVHZDCISA-N 2 2 358.486 0.758 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134894818 488669232 /nfs/dbraw/zinc/66/92/32/488669232.db2.gz ZQDNKNGFGUUPIB-PBHICJAKSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000134894818 488669233 /nfs/dbraw/zinc/66/92/33/488669233.db2.gz ZQDNKNGFGUUPIB-PBHICJAKSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000134894818 488669234 /nfs/dbraw/zinc/66/92/34/488669234.db2.gz ZQDNKNGFGUUPIB-PBHICJAKSA-N 2 2 367.519 0.647 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000134894818 488669235 /nfs/dbraw/zinc/66/92/35/488669235.db2.gz ZQDNKNGFGUUPIB-PBHICJAKSA-N 2 2 367.519 0.647 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000136226785 488676931 /nfs/dbraw/zinc/67/69/31/488676931.db2.gz YXKTXAVSIFELNF-DOTOQJQBSA-N 2 2 363.506 0.718 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000563110529 491216677 /nfs/dbraw/zinc/21/66/77/491216677.db2.gz GGTQBAMYSQHWJH-JKSUJKDBSA-N 2 2 359.474 0.706 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000137754510 488681476 /nfs/dbraw/zinc/68/14/76/488681476.db2.gz JRMXZADGJCUKDN-DLBZAZTESA-N 2 2 354.495 0.600 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000137754510 488681478 /nfs/dbraw/zinc/68/14/78/488681478.db2.gz JRMXZADGJCUKDN-DLBZAZTESA-N 2 2 354.495 0.600 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000264522520 488681965 /nfs/dbraw/zinc/68/19/65/488681965.db2.gz WKHRUZKODMGMGE-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000264522520 488681966 /nfs/dbraw/zinc/68/19/66/488681966.db2.gz WKHRUZKODMGMGE-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264532247 488682773 /nfs/dbraw/zinc/68/27/73/488682773.db2.gz YRUVNCXKFQGKMN-HNNXBMFYSA-N 2 2 360.462 0.253 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264532247 488682775 /nfs/dbraw/zinc/68/27/75/488682775.db2.gz YRUVNCXKFQGKMN-HNNXBMFYSA-N 2 2 360.462 0.253 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264532250 488682908 /nfs/dbraw/zinc/68/29/08/488682908.db2.gz YRUVNCXKFQGKMN-OAHLLOKOSA-N 2 2 360.462 0.253 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264532250 488682910 /nfs/dbraw/zinc/68/29/10/488682910.db2.gz YRUVNCXKFQGKMN-OAHLLOKOSA-N 2 2 360.462 0.253 20 0 FCADLP CS(=O)(=O)CCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264570951 488685981 /nfs/dbraw/zinc/68/59/81/488685981.db2.gz RNUAZGKAUYXULF-UHFFFAOYSA-N 2 2 368.503 0.535 20 0 FCADLP COCCC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274379272 488702727 /nfs/dbraw/zinc/70/27/27/488702727.db2.gz SCHDYCKXWJBASK-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP COCCC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274379272 488702729 /nfs/dbraw/zinc/70/27/29/488702729.db2.gz SCHDYCKXWJBASK-UHFFFAOYSA-N 2 2 362.478 0.668 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000264733516 488704818 /nfs/dbraw/zinc/70/48/18/488704818.db2.gz JELLFAKQCNHSRA-OAHLLOKOSA-N 2 2 363.462 0.092 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)n1 ZINC000151673392 488708522 /nfs/dbraw/zinc/70/85/22/488708522.db2.gz IGGZBYDFBSENDO-UHFFFAOYSA-N 2 2 359.434 0.397 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000570072140 491214534 /nfs/dbraw/zinc/21/45/34/491214534.db2.gz NZYFVBZVQAZSJU-KRWDZBQOSA-N 2 2 368.522 0.596 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000570072140 491214535 /nfs/dbraw/zinc/21/45/35/491214535.db2.gz NZYFVBZVQAZSJU-KRWDZBQOSA-N 2 2 368.522 0.596 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000266079759 488722956 /nfs/dbraw/zinc/72/29/56/488722956.db2.gz GMLXBOFZIOQXMV-UHFFFAOYSA-N 2 2 364.465 0.926 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccc(F)cc1 ZINC000266079759 488722957 /nfs/dbraw/zinc/72/29/57/488722957.db2.gz GMLXBOFZIOQXMV-UHFFFAOYSA-N 2 2 364.465 0.926 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000152874363 488724212 /nfs/dbraw/zinc/72/42/12/488724212.db2.gz JJDIGTBJZQDABL-HUUCEWRRSA-N 2 2 369.473 0.744 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1C ZINC000274685594 488727239 /nfs/dbraw/zinc/72/72/39/488727239.db2.gz YETCTDRMRLIRSO-UHFFFAOYSA-N 2 2 357.462 0.909 20 0 FCADLP C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000153470666 488731307 /nfs/dbraw/zinc/73/13/07/488731307.db2.gz RPVAMDRMWFAKDG-BEFAXECRSA-N 2 2 366.481 0.765 20 0 FCADLP C[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000274762138 488732490 /nfs/dbraw/zinc/73/24/90/488732490.db2.gz IGHYGHXNCMKXNB-WMLDXEAASA-N 2 2 350.438 0.522 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153601878 488732931 /nfs/dbraw/zinc/73/29/31/488732931.db2.gz FWAMWGJMIIGORX-AEFFLSMTSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153601878 488732934 /nfs/dbraw/zinc/73/29/34/488732934.db2.gz FWAMWGJMIIGORX-AEFFLSMTSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601878 488732937 /nfs/dbraw/zinc/73/29/37/488732937.db2.gz FWAMWGJMIIGORX-AEFFLSMTSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601878 488732939 /nfs/dbraw/zinc/73/29/39/488732939.db2.gz FWAMWGJMIIGORX-AEFFLSMTSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+](C)Cc1ccccc1 ZINC000274945795 488746540 /nfs/dbraw/zinc/74/65/40/488746540.db2.gz CHYBTHZSUVCDID-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+](C)Cc1ccccc1 ZINC000274945795 488746542 /nfs/dbraw/zinc/74/65/42/488746542.db2.gz CHYBTHZSUVCDID-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP Cc1occc1C(=O)NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000154918721 488748834 /nfs/dbraw/zinc/74/88/34/488748834.db2.gz RQQRYJTWLXNBGG-UHFFFAOYSA-N 2 2 350.463 0.802 20 0 FCADLP Cc1occc1C(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000154918721 488748836 /nfs/dbraw/zinc/74/88/36/488748836.db2.gz RQQRYJTWLXNBGG-UHFFFAOYSA-N 2 2 350.463 0.802 20 0 FCADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000266975215 488749465 /nfs/dbraw/zinc/74/94/65/488749465.db2.gz QFFQLNDFHGMPRS-UHFFFAOYSA-N 2 2 363.462 0.691 20 0 FCADLP CC[NH+]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000155211483 488752883 /nfs/dbraw/zinc/75/28/83/488752883.db2.gz JIPOXZKFSRWKSN-UHFFFAOYSA-N 2 2 374.489 0.467 20 0 FCADLP CC[C@@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+](C)C ZINC000155317106 488754309 /nfs/dbraw/zinc/75/43/09/488754309.db2.gz SNSJAGJNLQCMAX-HNNXBMFYSA-N 2 2 362.478 0.302 20 0 FCADLP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC[NH2+]C1 ZINC000570154738 491220396 /nfs/dbraw/zinc/22/03/96/491220396.db2.gz IZCAGGQOMGIGRN-FQEVSTJZSA-N 2 2 374.485 0.915 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000155849989 488759469 /nfs/dbraw/zinc/75/94/69/488759469.db2.gz URARRWYBHSRZEO-IAGOWNOFSA-N 2 2 356.511 0.611 20 0 FCADLP CC(C)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000155850343 488759506 /nfs/dbraw/zinc/75/95/06/488759506.db2.gz URARRWYBHSRZEO-IRXDYDNUSA-N 2 2 356.511 0.611 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156200306 488763242 /nfs/dbraw/zinc/76/32/42/488763242.db2.gz AFRCKZLNZQSVFD-MSOLQXFVSA-N 2 2 368.522 0.728 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000156773661 488766947 /nfs/dbraw/zinc/76/69/47/488766947.db2.gz FGCSLARIKMEEEJ-IRXDYDNUSA-N 2 2 374.489 0.058 20 0 FCADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000156773661 488766948 /nfs/dbraw/zinc/76/69/48/488766948.db2.gz FGCSLARIKMEEEJ-IRXDYDNUSA-N 2 2 374.489 0.058 20 0 FCADLP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000157491740 488772105 /nfs/dbraw/zinc/77/21/05/488772105.db2.gz BRUOLPWXHMSCCE-UHFFFAOYSA-N 2 2 352.464 0.666 20 0 FCADLP CC(C)C(=O)NCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157607742 488772432 /nfs/dbraw/zinc/77/24/32/488772432.db2.gz GMQSARGCUFXZKS-UHFFFAOYSA-N 2 2 361.490 0.824 20 0 FCADLP CC(C)C(=O)NCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157607742 488772434 /nfs/dbraw/zinc/77/24/34/488772434.db2.gz GMQSARGCUFXZKS-UHFFFAOYSA-N 2 2 361.490 0.824 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000267257449 488773113 /nfs/dbraw/zinc/77/31/13/488773113.db2.gz NIBZJXUJHMIJLZ-UHFFFAOYSA-N 2 2 359.474 0.972 20 0 FCADLP CC(=O)N[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710377 488773202 /nfs/dbraw/zinc/77/32/02/488773202.db2.gz XDVAVJAQGVYNFD-ROUUACIJSA-N 2 2 366.506 0.204 20 0 FCADLP CC(=O)N[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](NC(C)=O)C3)COC2)C1 ZINC000157710377 488773203 /nfs/dbraw/zinc/77/32/03/488773203.db2.gz XDVAVJAQGVYNFD-ROUUACIJSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(C(C)(C)C(N)=O)CC3)c2cc1C ZINC000267463600 488788679 /nfs/dbraw/zinc/78/86/79/488788679.db2.gz UAVSGTUHZNSJAW-MRXNPFEDSA-N 2 2 373.501 0.896 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000267517005 488793162 /nfs/dbraw/zinc/79/31/62/488793162.db2.gz NXSYUQNXEQMASD-INIZCTEOSA-N 2 2 361.490 0.880 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000162018990 488800041 /nfs/dbraw/zinc/80/00/41/488800041.db2.gz BLSHGUOXUWKIBU-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000162018990 488800044 /nfs/dbraw/zinc/80/00/44/488800044.db2.gz BLSHGUOXUWKIBU-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000162018990 488800045 /nfs/dbraw/zinc/80/00/45/488800045.db2.gz BLSHGUOXUWKIBU-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000162018990 488800047 /nfs/dbraw/zinc/80/00/47/488800047.db2.gz BLSHGUOXUWKIBU-UHFFFAOYSA-N 2 2 373.501 0.537 20 0 FCADLP Cc1sc2ncn(CCC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c(=O)c2c1C ZINC000162415998 488802753 /nfs/dbraw/zinc/80/27/53/488802753.db2.gz HEUQNSFWEIIMRO-ZDUSSCGKSA-N 2 2 363.487 0.566 20 0 FCADLP Cc1sc2ncn(CCC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c(=O)c2c1C ZINC000162415998 488802755 /nfs/dbraw/zinc/80/27/55/488802755.db2.gz HEUQNSFWEIIMRO-ZDUSSCGKSA-N 2 2 363.487 0.566 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000162679566 488804388 /nfs/dbraw/zinc/80/43/88/488804388.db2.gz DMRXJLLLLBKMBD-IBGZPJMESA-N 3 2 359.518 0.932 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000162679566 488804389 /nfs/dbraw/zinc/80/43/89/488804389.db2.gz DMRXJLLLLBKMBD-IBGZPJMESA-N 3 2 359.518 0.932 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000162806314 488805174 /nfs/dbraw/zinc/80/51/74/488805174.db2.gz YMZIEUHBOXLKNR-DOTOQJQBSA-N 2 2 367.515 0.864 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000162806314 488805177 /nfs/dbraw/zinc/80/51/77/488805177.db2.gz YMZIEUHBOXLKNR-DOTOQJQBSA-N 2 2 367.515 0.864 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000267628425 488806981 /nfs/dbraw/zinc/80/69/81/488806981.db2.gz FMILIFGHBSOVGP-GOSISDBHSA-N 2 2 358.442 0.697 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000163612642 488808506 /nfs/dbraw/zinc/80/85/06/488808506.db2.gz YVPYRWIJZUXCFR-HNNXBMFYSA-N 2 2 360.462 0.170 20 0 FCADLP O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563154208 491222865 /nfs/dbraw/zinc/22/28/65/491222865.db2.gz HUBAFRGLZITIRE-UHFFFAOYSA-N 2 2 372.922 0.552 20 0 FCADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000166131325 488811474 /nfs/dbraw/zinc/81/14/74/488811474.db2.gz QHEJGABOEWFKBC-MRXNPFEDSA-N 2 2 368.503 0.935 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171203811 488821161 /nfs/dbraw/zinc/82/11/61/488821161.db2.gz OWCDEHQQDOLUSL-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171203811 488821163 /nfs/dbraw/zinc/82/11/63/488821163.db2.gz OWCDEHQQDOLUSL-UHFFFAOYSA-N 3 2 355.527 0.422 20 0 FCADLP CN(C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c1nccs1 ZINC000171656464 488825264 /nfs/dbraw/zinc/82/52/64/488825264.db2.gz VNXLTCXLCBCVKD-UHFFFAOYSA-N 2 2 353.492 0.496 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000171959998 488829242 /nfs/dbraw/zinc/82/92/42/488829242.db2.gz OXAGGNLJLDRBIQ-OAHLLOKOSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000171959998 488829243 /nfs/dbraw/zinc/82/92/43/488829243.db2.gz OXAGGNLJLDRBIQ-OAHLLOKOSA-N 2 2 364.515 0.850 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000172647835 488836285 /nfs/dbraw/zinc/83/62/85/488836285.db2.gz RMUIYFDPKCDTAH-KRWDZBQOSA-N 2 2 358.490 0.543 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000172647835 488836286 /nfs/dbraw/zinc/83/62/86/488836286.db2.gz RMUIYFDPKCDTAH-KRWDZBQOSA-N 2 2 358.490 0.543 20 0 FCADLP C[NH+](C)C1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCOCC1 ZINC000173575653 488843685 /nfs/dbraw/zinc/84/36/85/488843685.db2.gz FARCEVUYPVFLFV-UHFFFAOYSA-N 2 2 361.490 0.431 20 0 FCADLP CCC(CC)[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173592830 488843947 /nfs/dbraw/zinc/84/39/47/488843947.db2.gz JKKJHCURPJMYPV-SJLPKXTDSA-N 2 2 354.539 0.876 20 0 FCADLP COCC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000173748481 488845006 /nfs/dbraw/zinc/84/50/06/488845006.db2.gz LCASJVUSPDHOPK-UHFFFAOYSA-N 2 2 361.490 0.431 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccs1 ZINC000173909176 488846205 /nfs/dbraw/zinc/84/62/05/488846205.db2.gz VDIKBXPRJOSQJC-WMLDXEAASA-N 2 2 370.519 0.733 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)c2cccc(F)c2)CC1 ZINC000174995141 488852639 /nfs/dbraw/zinc/85/26/39/488852639.db2.gz JCLJVSRPIFXHND-UHFFFAOYSA-N 2 2 350.438 0.698 20 0 FCADLP CNC(=O)CC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000175026872 488852872 /nfs/dbraw/zinc/85/28/72/488852872.db2.gz OYCNSBSLJAZODE-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP CC(C)(CNC(=O)CN1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000175483315 488854297 /nfs/dbraw/zinc/85/42/97/488854297.db2.gz UOMZBMKVGOCLFB-UHFFFAOYSA-N 2 2 368.522 0.010 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000175573070 488854341 /nfs/dbraw/zinc/85/43/41/488854341.db2.gz GNLZDOSQGYQCSE-CALCHBBNSA-N 3 2 369.554 0.811 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000175573070 488854342 /nfs/dbraw/zinc/85/43/42/488854342.db2.gz GNLZDOSQGYQCSE-CALCHBBNSA-N 3 2 369.554 0.811 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175551647 488854421 /nfs/dbraw/zinc/85/44/21/488854421.db2.gz NPSQNUOOOWZKGO-GOSISDBHSA-N 3 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175551647 488854422 /nfs/dbraw/zinc/85/44/22/488854422.db2.gz NPSQNUOOOWZKGO-GOSISDBHSA-N 3 2 369.554 0.668 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000175573111 488854521 /nfs/dbraw/zinc/85/45/21/488854521.db2.gz GNLZDOSQGYQCSE-IAGOWNOFSA-N 3 2 369.554 0.811 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000176235730 488857832 /nfs/dbraw/zinc/85/78/32/488857832.db2.gz XOXQTEIVCVTEIX-UHFFFAOYSA-N 2 2 350.463 0.347 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000176235730 488857833 /nfs/dbraw/zinc/85/78/33/488857833.db2.gz XOXQTEIVCVTEIX-UHFFFAOYSA-N 2 2 350.463 0.347 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000176626819 488858678 /nfs/dbraw/zinc/85/86/78/488858678.db2.gz NRLYJGOMBRSGJX-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CCCNC(=O)[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179280607 488861100 /nfs/dbraw/zinc/86/11/00/488861100.db2.gz ACLZUPLCRQKZHN-INIZCTEOSA-N 2 2 367.538 0.960 20 0 FCADLP Cn1c2[nH]c(C[NH+]3CCC(CCC[NH+](C)C)CC3)nc2c(=O)n(C)c1=O ZINC000180850897 488862629 /nfs/dbraw/zinc/86/26/29/488862629.db2.gz SHVJDUSEHNPWBE-UHFFFAOYSA-N 2 2 362.478 0.514 20 0 FCADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H](O)C(F)(F)F ZINC000181269224 488863209 /nfs/dbraw/zinc/86/32/09/488863209.db2.gz NGGZJGXZEZNNFS-CYBMUJFWSA-N 2 2 360.380 0.975 20 0 FCADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H](O)C(F)(F)F ZINC000181269224 488863210 /nfs/dbraw/zinc/86/32/10/488863210.db2.gz NGGZJGXZEZNNFS-CYBMUJFWSA-N 2 2 360.380 0.975 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C2 ZINC000364575998 488974563 /nfs/dbraw/zinc/97/45/63/488974563.db2.gz ZWDGIWDQLYWIBK-KUHUBIRLSA-N 2 2 364.490 0.837 20 0 FCADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)CC2 ZINC000364575998 488974565 /nfs/dbraw/zinc/97/45/65/488974565.db2.gz ZWDGIWDQLYWIBK-KUHUBIRLSA-N 2 2 364.490 0.837 20 0 FCADLP CC1(C)C[S@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329164713 488976412 /nfs/dbraw/zinc/97/64/12/488976412.db2.gz GXYIRCKXLGCNEY-RUZDIDTESA-N 2 2 364.515 0.963 20 0 FCADLP CC1(C)C[S@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329164713 488976414 /nfs/dbraw/zinc/97/64/14/488976414.db2.gz GXYIRCKXLGCNEY-RUZDIDTESA-N 2 2 364.515 0.963 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000288498366 488986366 /nfs/dbraw/zinc/98/63/66/488986366.db2.gz BEJYEEIIIUHREV-IAGOWNOFSA-N 2 2 363.458 0.327 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364733048 488994142 /nfs/dbraw/zinc/99/41/42/488994142.db2.gz IGVGRXGIPQWLAU-IAGOWNOFSA-N 2 2 354.495 0.651 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364733048 488994145 /nfs/dbraw/zinc/99/41/45/488994145.db2.gz IGVGRXGIPQWLAU-IAGOWNOFSA-N 2 2 354.495 0.651 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4c3cccc4F)C2)CC1 ZINC000364760442 488998814 /nfs/dbraw/zinc/99/88/14/488998814.db2.gz VWKWRZRBGQWTDJ-CQSZACIVSA-N 2 2 374.460 1.000 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCc4c3cccc4F)C2)CC1 ZINC000364760442 488998817 /nfs/dbraw/zinc/99/88/17/488998817.db2.gz VWKWRZRBGQWTDJ-CQSZACIVSA-N 2 2 374.460 1.000 20 0 FCADLP O[C@H]1C[C@@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@H+](Cc2ccccc2)C1 ZINC000364908711 489016396 /nfs/dbraw/zinc/01/63/96/489016396.db2.gz JNMLWWJHWYHSJW-ROUUACIJSA-N 2 2 369.469 1.361 20 0 FCADLP O[C@H]1C[C@@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@@H+](Cc2ccccc2)C1 ZINC000364908711 489016398 /nfs/dbraw/zinc/01/63/98/489016398.db2.gz JNMLWWJHWYHSJW-ROUUACIJSA-N 2 2 369.469 1.361 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911799 489016889 /nfs/dbraw/zinc/01/68/89/489016889.db2.gz IHQAGKIDNKIFCN-JKSUJKDBSA-N 2 2 368.503 0.029 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000364911799 489016892 /nfs/dbraw/zinc/01/68/92/489016892.db2.gz IHQAGKIDNKIFCN-JKSUJKDBSA-N 2 2 368.503 0.029 20 0 FCADLP CC(C)NC(=O)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364913370 489016964 /nfs/dbraw/zinc/01/69/64/489016964.db2.gz LVCRJLXHWMUBPZ-INIZCTEOSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)NC(=O)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364913370 489016966 /nfs/dbraw/zinc/01/69/66/489016966.db2.gz LVCRJLXHWMUBPZ-INIZCTEOSA-N 2 2 353.511 0.711 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803158 489017417 /nfs/dbraw/zinc/01/74/17/489017417.db2.gz FLCCFBNPFDVJDK-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803158 489017421 /nfs/dbraw/zinc/01/74/21/489017421.db2.gz FLCCFBNPFDVJDK-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803158 489017422 /nfs/dbraw/zinc/01/74/22/489017422.db2.gz FLCCFBNPFDVJDK-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000288803158 489017426 /nfs/dbraw/zinc/01/74/26/489017426.db2.gz FLCCFBNPFDVJDK-OALUTQOASA-N 2 2 359.518 0.801 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000329670824 489025878 /nfs/dbraw/zinc/02/58/78/489025878.db2.gz RWDPEMDCJAREIL-HXUWFJFHSA-N 2 2 361.486 0.722 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000329670824 489025882 /nfs/dbraw/zinc/02/58/82/489025882.db2.gz RWDPEMDCJAREIL-HXUWFJFHSA-N 2 2 361.486 0.722 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N3CCCC3)CC1)C2 ZINC000329794981 489036619 /nfs/dbraw/zinc/03/66/19/489036619.db2.gz WGCZBVASSNDDAF-QGZVFWFLSA-N 2 2 373.501 0.911 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)C2 ZINC000329794981 489036621 /nfs/dbraw/zinc/03/66/21/489036621.db2.gz WGCZBVASSNDDAF-QGZVFWFLSA-N 2 2 373.501 0.911 20 0 FCADLP CCN(C(=O)CCc1c[nH+]cn1C)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000280880602 489038219 /nfs/dbraw/zinc/03/82/19/489038219.db2.gz XGZYGQMTLFODEQ-UHFFFAOYSA-N 2 2 372.473 0.778 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000289283410 489055550 /nfs/dbraw/zinc/05/55/50/489055550.db2.gz SYKKSVBTXWFCQU-MRXNPFEDSA-N 2 2 371.441 0.131 20 0 FCADLP O=C(CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000365354708 489066974 /nfs/dbraw/zinc/06/69/74/489066974.db2.gz IHJZRRMIAFWOIF-SJORKVTESA-N 2 2 371.485 0.721 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394182 489071426 /nfs/dbraw/zinc/07/14/26/489071426.db2.gz QZNVMKUMYYEOCJ-IRXDYDNUSA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394182 489071429 /nfs/dbraw/zinc/07/14/29/489071429.db2.gz QZNVMKUMYYEOCJ-IRXDYDNUSA-N 2 2 365.522 0.806 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000289718225 489088333 /nfs/dbraw/zinc/08/83/33/489088333.db2.gz GAIOKJKVGGLKDE-CQSZACIVSA-N 2 2 363.462 0.838 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330311767 489090131 /nfs/dbraw/zinc/09/01/31/489090131.db2.gz VZOMTNMLGNGIFG-CHWSQXEVSA-N 2 2 360.462 0.750 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000330311767 489090133 /nfs/dbraw/zinc/09/01/33/489090133.db2.gz VZOMTNMLGNGIFG-CHWSQXEVSA-N 2 2 360.462 0.750 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000290122272 489115835 /nfs/dbraw/zinc/11/58/35/489115835.db2.gz MESYCJSUNGXNER-UHFFFAOYSA-N 2 2 374.489 0.343 20 0 FCADLP C[NH+](C)CCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000365995727 489133394 /nfs/dbraw/zinc/13/33/94/489133394.db2.gz GKUFYBJJCSSQOR-ZIAGYGMSSA-N 2 2 354.476 0.338 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415929 489138267 /nfs/dbraw/zinc/13/82/67/489138267.db2.gz JJSADDJFZSOVGC-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290415929 489138271 /nfs/dbraw/zinc/13/82/71/489138271.db2.gz JJSADDJFZSOVGC-JKSUJKDBSA-N 2 2 359.474 0.625 20 0 FCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290422106 489138644 /nfs/dbraw/zinc/13/86/44/489138644.db2.gz VJJMQZKWQWXJSX-UHFFFAOYSA-N 2 2 370.413 0.364 20 0 FCADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC000366079337 489142682 /nfs/dbraw/zinc/14/26/82/489142682.db2.gz LRPLTLOXSXTQMI-QZTJIDSGSA-N 2 2 367.538 0.517 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C2 ZINC000555028777 491235705 /nfs/dbraw/zinc/23/57/05/491235705.db2.gz VNNYJZOZJPGPGM-OAHLLOKOSA-N 2 2 358.446 0.921 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559440 489149366 /nfs/dbraw/zinc/14/93/66/489149366.db2.gz PFKPLYZGLYQFNO-SJORKVTESA-N 2 2 373.501 0.871 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559440 489149370 /nfs/dbraw/zinc/14/93/70/489149370.db2.gz PFKPLYZGLYQFNO-SJORKVTESA-N 2 2 373.501 0.871 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562743 489149538 /nfs/dbraw/zinc/14/95/38/489149538.db2.gz PKHVSHPLQPAPIM-JKSUJKDBSA-N 2 2 359.474 0.577 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290562743 489149541 /nfs/dbraw/zinc/14/95/41/489149541.db2.gz PKHVSHPLQPAPIM-JKSUJKDBSA-N 2 2 359.474 0.577 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559419 489149689 /nfs/dbraw/zinc/14/96/89/489149689.db2.gz PFKPLYZGLYQFNO-IAGOWNOFSA-N 2 2 373.501 0.871 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290559419 489149693 /nfs/dbraw/zinc/14/96/93/489149693.db2.gz PFKPLYZGLYQFNO-IAGOWNOFSA-N 2 2 373.501 0.871 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729897 489161083 /nfs/dbraw/zinc/16/10/83/489161083.db2.gz YFOXTWVOCJJZOQ-GVDBMIGSSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290729897 489161085 /nfs/dbraw/zinc/16/10/85/489161085.db2.gz YFOXTWVOCJJZOQ-GVDBMIGSSA-N 2 2 371.485 0.719 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000331206826 489185463 /nfs/dbraw/zinc/18/54/63/489185463.db2.gz DUTPGBPWWFFSKJ-HUUCEWRRSA-N 2 2 355.504 0.824 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000331206826 489185466 /nfs/dbraw/zinc/18/54/66/489185466.db2.gz DUTPGBPWWFFSKJ-HUUCEWRRSA-N 2 2 355.504 0.824 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)ccn12 ZINC000570409364 491238759 /nfs/dbraw/zinc/23/87/59/491238759.db2.gz PKTHLAXGTNFNAJ-UHFFFAOYSA-N 2 2 365.441 0.985 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000283008508 489205720 /nfs/dbraw/zinc/20/57/20/489205720.db2.gz AEMUIDKHBLXFGQ-INIZCTEOSA-N 2 2 361.490 0.745 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000283027162 489207661 /nfs/dbraw/zinc/20/76/61/489207661.db2.gz HIDXFZBURSTUKN-RTBURBONSA-N 2 2 361.486 0.975 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000283027162 489207665 /nfs/dbraw/zinc/20/76/65/489207665.db2.gz HIDXFZBURSTUKN-RTBURBONSA-N 2 2 361.486 0.975 20 0 FCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000283036305 489208643 /nfs/dbraw/zinc/20/86/43/489208643.db2.gz IBCFNMLRFITBIV-UHFFFAOYSA-N 2 2 353.488 0.686 20 0 FCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000283036305 489208645 /nfs/dbraw/zinc/20/86/45/489208645.db2.gz IBCFNMLRFITBIV-UHFFFAOYSA-N 2 2 353.488 0.686 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438383 489211318 /nfs/dbraw/zinc/21/13/18/489211318.db2.gz XBAPVIMNVCHSCA-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438383 489211321 /nfs/dbraw/zinc/21/13/21/489211321.db2.gz XBAPVIMNVCHSCA-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438383 489211324 /nfs/dbraw/zinc/21/13/24/489211324.db2.gz XBAPVIMNVCHSCA-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C[C@H](C)O1 ZINC000331438383 489211325 /nfs/dbraw/zinc/21/13/25/489211325.db2.gz XBAPVIMNVCHSCA-YVSFHVDLSA-N 2 2 366.506 0.107 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000555136358 491239531 /nfs/dbraw/zinc/23/95/31/491239531.db2.gz VSXXZVGAVOEGHA-LJQANCHMSA-N 3 2 360.502 0.619 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000563365559 491239731 /nfs/dbraw/zinc/23/97/31/491239731.db2.gz ULELSNYHMFLCSI-YWTNHNAXSA-N 2 2 355.523 0.642 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([N@H+]3CCOC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000563365559 491239736 /nfs/dbraw/zinc/23/97/36/491239736.db2.gz ULELSNYHMFLCSI-YWTNHNAXSA-N 2 2 355.523 0.642 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)cc[nH+]1 ZINC000570417186 491240150 /nfs/dbraw/zinc/24/01/50/491240150.db2.gz MXOPSKZWFJJQJN-MRXNPFEDSA-N 2 2 372.473 0.130 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000332561844 489220275 /nfs/dbraw/zinc/22/02/75/489220275.db2.gz VOPRLIAKTLMHIP-JKSUJKDBSA-N 2 2 359.474 0.671 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000332561844 489220278 /nfs/dbraw/zinc/22/02/78/489220278.db2.gz VOPRLIAKTLMHIP-JKSUJKDBSA-N 2 2 359.474 0.671 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000332562074 489220371 /nfs/dbraw/zinc/22/03/71/489220371.db2.gz XCARNLLXHKTUSR-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000332561558 489220694 /nfs/dbraw/zinc/22/06/94/489220694.db2.gz WVOSZYKETQZVLZ-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000297715186 489228931 /nfs/dbraw/zinc/22/89/31/489228931.db2.gz CTJGVKBYLOFLJG-KRWDZBQOSA-N 2 2 371.485 0.817 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000283258491 489234780 /nfs/dbraw/zinc/23/47/80/489234780.db2.gz DZQYATMXQGMMAQ-UHFFFAOYSA-N 2 2 373.457 0.256 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000283258491 489234783 /nfs/dbraw/zinc/23/47/83/489234783.db2.gz DZQYATMXQGMMAQ-UHFFFAOYSA-N 2 2 373.457 0.256 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000283291598 489240191 /nfs/dbraw/zinc/24/01/91/489240191.db2.gz HHERKFWRZOOCJO-HNNXBMFYSA-N 2 2 355.442 0.895 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000369492142 489244622 /nfs/dbraw/zinc/24/46/22/489244622.db2.gz UIWOGIFNKOLWIS-SQNIBIBYSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000369492138 489244841 /nfs/dbraw/zinc/24/48/41/489244841.db2.gz UIWOGIFNKOLWIS-KURKYZTESA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)C2 ZINC000297850569 489252061 /nfs/dbraw/zinc/25/20/61/489252061.db2.gz VFWHMLPDRWBSDF-XJKSGUPXSA-N 2 2 361.490 0.837 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332976406 489253259 /nfs/dbraw/zinc/25/32/59/489253259.db2.gz HPPGTXUEPGOSLH-HYVNUMGLSA-N 2 2 354.495 0.384 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000333035645 489257027 /nfs/dbraw/zinc/25/70/27/489257027.db2.gz NIMUYLZQGMXCBA-ZIAGYGMSSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000333035645 489257031 /nfs/dbraw/zinc/25/70/31/489257031.db2.gz NIMUYLZQGMXCBA-ZIAGYGMSSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)[C@@H]1CCSC1 ZINC000333035645 489257035 /nfs/dbraw/zinc/25/70/35/489257035.db2.gz NIMUYLZQGMXCBA-ZIAGYGMSSA-N 2 2 364.519 0.529 20 0 FCADLP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)[C@@H]1CCSC1 ZINC000333035645 489257039 /nfs/dbraw/zinc/25/70/39/489257039.db2.gz NIMUYLZQGMXCBA-ZIAGYGMSSA-N 2 2 364.519 0.529 20 0 FCADLP Cc1noc(C)c1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000283448972 489260346 /nfs/dbraw/zinc/26/03/46/489260346.db2.gz LLTKCRTVMHSDLR-UHFFFAOYSA-N 2 2 365.478 0.392 20 0 FCADLP Cc1noc(C)c1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000283448972 489260349 /nfs/dbraw/zinc/26/03/49/489260349.db2.gz LLTKCRTVMHSDLR-UHFFFAOYSA-N 2 2 365.478 0.392 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(n2cc[nH+]c2)CC1 ZINC000333441010 489261400 /nfs/dbraw/zinc/26/14/00/489261400.db2.gz LVVJKCFTTLPYPE-UHFFFAOYSA-N 2 2 373.461 1.281 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000297933092 489265151 /nfs/dbraw/zinc/26/51/51/489265151.db2.gz JPYOVUVUCXJPLC-HNNXBMFYSA-N 2 2 361.446 0.538 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000297933092 489265153 /nfs/dbraw/zinc/26/51/53/489265153.db2.gz JPYOVUVUCXJPLC-HNNXBMFYSA-N 2 2 361.446 0.538 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334004110 489265693 /nfs/dbraw/zinc/26/56/93/489265693.db2.gz VWLLKFPADUGTLQ-JKSUJKDBSA-N 2 2 353.511 0.426 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334004110 489265697 /nfs/dbraw/zinc/26/56/97/489265697.db2.gz VWLLKFPADUGTLQ-JKSUJKDBSA-N 2 2 353.511 0.426 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000297959915 489269046 /nfs/dbraw/zinc/26/90/46/489269046.db2.gz XCAYCTIHWJOZTR-AEFFLSMTSA-N 2 2 374.485 0.027 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000297959915 489269049 /nfs/dbraw/zinc/26/90/49/489269049.db2.gz XCAYCTIHWJOZTR-AEFFLSMTSA-N 2 2 374.485 0.027 20 0 FCADLP Cc1cc(N2CCC(N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)CC2)nc(C)[nH+]1 ZINC000348549539 489274055 /nfs/dbraw/zinc/27/40/55/489274055.db2.gz HSLXIKFFIRGGCM-HNNXBMFYSA-N 2 2 369.429 0.948 20 0 FCADLP Cc1cc(N2CCC(N3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)CC2)nc(C)[nH+]1 ZINC000348549539 489274057 /nfs/dbraw/zinc/27/40/57/489274057.db2.gz HSLXIKFFIRGGCM-HNNXBMFYSA-N 2 2 369.429 0.948 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298019728 489279214 /nfs/dbraw/zinc/27/92/14/489279214.db2.gz MCGLQPGSRUILQJ-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000298019728 489279217 /nfs/dbraw/zinc/27/92/17/489279217.db2.gz MCGLQPGSRUILQJ-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000570500663 491245091 /nfs/dbraw/zinc/24/50/91/491245091.db2.gz FIBUHDUPCKINET-UHFFFAOYSA-N 2 2 371.489 0.067 20 0 FCADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000298103010 489290869 /nfs/dbraw/zinc/29/08/69/489290869.db2.gz USHYZCQKEVXADP-UHFFFAOYSA-N 2 2 369.425 0.999 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000283689193 489291552 /nfs/dbraw/zinc/29/15/52/489291552.db2.gz WXJCAQAMBAQBAD-UHFFFAOYSA-N 2 2 350.488 0.670 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563439398 491246816 /nfs/dbraw/zinc/24/68/16/491246816.db2.gz FZPQLJPWAIMHQV-PVXIVEMSSA-N 2 2 366.412 0.728 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563439398 491246818 /nfs/dbraw/zinc/24/68/18/491246818.db2.gz FZPQLJPWAIMHQV-PVXIVEMSSA-N 2 2 366.412 0.728 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000284254098 489306941 /nfs/dbraw/zinc/30/69/41/489306941.db2.gz AAKGUNFYQJIRRP-AWEZNQCLSA-N 2 2 359.430 0.096 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000284254098 489306944 /nfs/dbraw/zinc/30/69/44/489306944.db2.gz AAKGUNFYQJIRRP-AWEZNQCLSA-N 2 2 359.430 0.096 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370066830 489312712 /nfs/dbraw/zinc/31/27/12/489312712.db2.gz UXZJNRLBFJVKGC-RDJZCZTQSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370066830 489312714 /nfs/dbraw/zinc/31/27/14/489312714.db2.gz UXZJNRLBFJVKGC-RDJZCZTQSA-N 2 2 362.478 0.964 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)C1 ZINC000563451687 491248193 /nfs/dbraw/zinc/24/81/93/491248193.db2.gz PWHRFMIIZVVDNZ-HNNXBMFYSA-N 2 2 372.473 0.982 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C)C1 ZINC000563451687 491248195 /nfs/dbraw/zinc/24/81/95/491248195.db2.gz PWHRFMIIZVVDNZ-HNNXBMFYSA-N 2 2 372.473 0.982 20 0 FCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000285907406 489332722 /nfs/dbraw/zinc/33/27/22/489332722.db2.gz KBOHSMDIJULOPQ-UHFFFAOYSA-N 2 2 367.494 0.379 20 0 FCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000285907406 489332726 /nfs/dbraw/zinc/33/27/26/489332726.db2.gz KBOHSMDIJULOPQ-UHFFFAOYSA-N 2 2 367.494 0.379 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000285924349 489334286 /nfs/dbraw/zinc/33/42/86/489334286.db2.gz UWDAUKCPCMMSQS-IBGZPJMESA-N 2 2 372.513 0.831 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000285924349 489334288 /nfs/dbraw/zinc/33/42/88/489334288.db2.gz UWDAUKCPCMMSQS-IBGZPJMESA-N 2 2 372.513 0.831 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000370267517 489337604 /nfs/dbraw/zinc/33/76/04/489337604.db2.gz SHKZWPLPMPBGKG-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000370267517 489337607 /nfs/dbraw/zinc/33/76/07/489337607.db2.gz SHKZWPLPMPBGKG-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000285960061 489338872 /nfs/dbraw/zinc/33/88/72/489338872.db2.gz PYFIGUIFZOJUGC-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000285960061 489338876 /nfs/dbraw/zinc/33/88/76/489338876.db2.gz PYFIGUIFZOJUGC-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000286043433 489349508 /nfs/dbraw/zinc/34/95/08/489349508.db2.gz WRRRSBVCQXYDLQ-UHFFFAOYSA-N 2 2 369.469 0.695 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CCN2C1=O ZINC000563459156 491249428 /nfs/dbraw/zinc/24/94/28/491249428.db2.gz VLGRSAJACOMEGY-IAGOWNOFSA-N 2 2 368.441 0.385 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCC(=O)N1C1CC1 ZINC000286150762 489361566 /nfs/dbraw/zinc/36/15/66/489361566.db2.gz LGVUYVDWEBCCLX-QHHYFVSCSA-N 2 2 371.485 0.882 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCC(=O)N1C1CC1 ZINC000286150762 489361567 /nfs/dbraw/zinc/36/15/67/489361567.db2.gz LGVUYVDWEBCCLX-QHHYFVSCSA-N 2 2 371.485 0.882 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144108 489377249 /nfs/dbraw/zinc/37/72/49/489377249.db2.gz ZDGRQCPEACJAOZ-WBVHZDCISA-N 2 2 363.506 0.608 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H]3C(=O)NC3CC3)C2)CC1 ZINC000362144108 489377253 /nfs/dbraw/zinc/37/72/53/489377253.db2.gz ZDGRQCPEACJAOZ-WBVHZDCISA-N 2 2 363.506 0.608 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[N@@H+](C(C)C)CC3)CC2)cc[nH+]1 ZINC000298887924 489378082 /nfs/dbraw/zinc/37/80/82/489378082.db2.gz ZTIXPZOUZIZYTM-UHFFFAOYSA-N 2 2 374.489 0.376 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)CC2)cc[nH+]1 ZINC000298887924 489378083 /nfs/dbraw/zinc/37/80/83/489378083.db2.gz ZTIXPZOUZIZYTM-UHFFFAOYSA-N 2 2 374.489 0.376 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](C(N)=O)C3)CC2)c1 ZINC000286394262 489387210 /nfs/dbraw/zinc/38/72/10/489387210.db2.gz ZZWUPBITYODNMM-SJLPKXTDSA-N 2 2 358.486 0.692 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](C(N)=O)C3)CC2)c1 ZINC000286394262 489387212 /nfs/dbraw/zinc/38/72/12/489387212.db2.gz ZZWUPBITYODNMM-SJLPKXTDSA-N 2 2 358.486 0.692 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000299001660 489393368 /nfs/dbraw/zinc/39/33/68/489393368.db2.gz QJBASKQWEDSTRI-OAHLLOKOSA-N 2 2 371.441 0.844 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCCn1cc[nH+]c1 ZINC000362850193 489401592 /nfs/dbraw/zinc/40/15/92/489401592.db2.gz GTJXEUGXYOVXAM-MRXNPFEDSA-N 2 2 367.413 0.722 20 0 FCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362880926 489403273 /nfs/dbraw/zinc/40/32/73/489403273.db2.gz QBHZVWGAQWSYBB-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000286599396 489408327 /nfs/dbraw/zinc/40/83/27/489408327.db2.gz WVSLMHROFQEVKH-HOTGVXAUSA-N 2 2 361.490 0.743 20 0 FCADLP CN(C(=O)c1ccccc1OCC(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829867 489408631 /nfs/dbraw/zinc/40/86/31/489408631.db2.gz JQNPXUPENNGJAJ-INIZCTEOSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)c1ccccc1OCC(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829867 489408634 /nfs/dbraw/zinc/40/86/34/489408634.db2.gz JQNPXUPENNGJAJ-INIZCTEOSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)CCN1CCCS1(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837700 489409174 /nfs/dbraw/zinc/40/91/74/489409174.db2.gz DFWDUYOEVZCWAV-INIZCTEOSA-N 2 2 372.535 0.039 20 0 FCADLP CN(C(=O)CCN1CCCS1(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837700 489409176 /nfs/dbraw/zinc/40/91/76/489409176.db2.gz DFWDUYOEVZCWAV-INIZCTEOSA-N 2 2 372.535 0.039 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021575 489438828 /nfs/dbraw/zinc/43/88/28/489438828.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000371021575 489438831 /nfs/dbraw/zinc/43/88/31/489438831.db2.gz ZZATUXUKTZRGSW-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000287024464 489453015 /nfs/dbraw/zinc/45/30/15/489453015.db2.gz DQJSRVPGCOMHND-JKSUJKDBSA-N 2 2 359.474 0.719 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000287067204 489457351 /nfs/dbraw/zinc/45/73/51/489457351.db2.gz XOQYBWXZADKWFE-UHFFFAOYSA-N 2 2 355.442 0.771 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000287067204 489457353 /nfs/dbraw/zinc/45/73/53/489457353.db2.gz XOQYBWXZADKWFE-UHFFFAOYSA-N 2 2 355.442 0.771 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373392 489459228 /nfs/dbraw/zinc/45/92/28/489459228.db2.gz OGOKTHPJHJBDGT-JZXOWHBKSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373392 489459232 /nfs/dbraw/zinc/45/92/32/489459232.db2.gz OGOKTHPJHJBDGT-JZXOWHBKSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373392 489459234 /nfs/dbraw/zinc/45/92/34/489459234.db2.gz OGOKTHPJHJBDGT-JZXOWHBKSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363373392 489459237 /nfs/dbraw/zinc/45/92/37/489459237.db2.gz OGOKTHPJHJBDGT-JZXOWHBKSA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363373393 489459544 /nfs/dbraw/zinc/45/95/44/489459544.db2.gz OGOKTHPJHJBDGT-NUJGCVRESA-N 2 2 368.522 0.401 20 0 FCADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363373393 489459546 /nfs/dbraw/zinc/45/95/46/489459546.db2.gz OGOKTHPJHJBDGT-NUJGCVRESA-N 2 2 368.522 0.401 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCNC(=O)C[C@H]3C)CC2)c1 ZINC000371183508 489463593 /nfs/dbraw/zinc/46/35/93/489463593.db2.gz JEABTASZAUODDH-QGZVFWFLSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCNC(=O)C[C@H]3C)CC2)c1 ZINC000371183508 489463597 /nfs/dbraw/zinc/46/35/97/489463597.db2.gz JEABTASZAUODDH-QGZVFWFLSA-N 2 2 358.486 0.850 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(CC(N)=O)CC3)C2)CC1 ZINC000363408275 489463724 /nfs/dbraw/zinc/46/37/24/489463724.db2.gz PXJWJFHEAFUYBG-HNNXBMFYSA-N 2 2 351.495 0.452 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(CC(N)=O)CC3)C2)CC1 ZINC000363408275 489463727 /nfs/dbraw/zinc/46/37/27/489463727.db2.gz PXJWJFHEAFUYBG-HNNXBMFYSA-N 2 2 351.495 0.452 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000363443111 489467645 /nfs/dbraw/zinc/46/76/45/489467645.db2.gz CBMUGXNXIDMHJV-SJLPKXTDSA-N 2 2 351.539 0.996 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563577858 491255582 /nfs/dbraw/zinc/25/55/82/491255582.db2.gz HREDYHDEFNSWEX-QWHCGFSZSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563577858 491255583 /nfs/dbraw/zinc/25/55/83/491255583.db2.gz HREDYHDEFNSWEX-QWHCGFSZSA-N 2 2 365.865 0.730 20 0 FCADLP CCCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000563579354 491255772 /nfs/dbraw/zinc/25/57/72/491255772.db2.gz JOAVQCJTDMRWAN-NVXWUHKLSA-N 2 2 356.536 0.978 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300579 489475047 /nfs/dbraw/zinc/47/50/47/489475047.db2.gz PZCRMHXPHSNMJH-ARFHVFGLSA-N 2 2 355.479 0.629 20 0 FCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300579 489475048 /nfs/dbraw/zinc/47/50/48/489475048.db2.gz PZCRMHXPHSNMJH-ARFHVFGLSA-N 2 2 355.479 0.629 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000371299352 489475062 /nfs/dbraw/zinc/47/50/62/489475062.db2.gz FZPRPLRQUUCSHQ-XMTFNYHQSA-N 2 2 366.506 0.297 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000371299352 489475066 /nfs/dbraw/zinc/47/50/66/489475066.db2.gz FZPRPLRQUUCSHQ-XMTFNYHQSA-N 2 2 366.506 0.297 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300600 489475581 /nfs/dbraw/zinc/47/55/81/489475581.db2.gz QENDCPBNTZIWRR-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300600 489475583 /nfs/dbraw/zinc/47/55/83/489475583.db2.gz QENDCPBNTZIWRR-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469814 489485219 /nfs/dbraw/zinc/48/52/19/489485219.db2.gz GSGNADJVDFAJGO-GUDVDZBRSA-N 3 2 374.533 0.912 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469814 489485220 /nfs/dbraw/zinc/48/52/20/489485220.db2.gz GSGNADJVDFAJGO-GUDVDZBRSA-N 3 2 374.533 0.912 20 0 FCADLP COC(=O)CSCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371551247 489487874 /nfs/dbraw/zinc/48/78/74/489487874.db2.gz UHLLSOMUSUIYKA-UHFFFAOYSA-N 2 2 372.535 0.750 20 0 FCADLP CC(C)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000371638835 489491597 /nfs/dbraw/zinc/49/15/97/489491597.db2.gz VFZJHJUJJCDVIU-HNNXBMFYSA-N 2 2 351.495 0.417 20 0 FCADLP CC(C)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000371638835 489491598 /nfs/dbraw/zinc/49/15/98/489491598.db2.gz VFZJHJUJJCDVIU-HNNXBMFYSA-N 2 2 351.495 0.417 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)n1C ZINC000414344502 489497328 /nfs/dbraw/zinc/49/73/28/489497328.db2.gz CLEYQUQFRXGZJK-CQSZACIVSA-N 2 2 359.496 0.064 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697387 489499285 /nfs/dbraw/zinc/49/92/85/489499285.db2.gz VUYSYAWAQKNRMW-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697387 489499287 /nfs/dbraw/zinc/49/92/87/489499287.db2.gz VUYSYAWAQKNRMW-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP CN(C(=O)c1ccc2c(c1)C(=O)NC2=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371757067 489506254 /nfs/dbraw/zinc/50/62/54/489506254.db2.gz KCVPBGGFQZBZJG-HNNXBMFYSA-N 2 2 370.453 0.811 20 0 FCADLP CN(C(=O)c1ccc2c(c1)C(=O)NC2=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371757067 489506256 /nfs/dbraw/zinc/50/62/56/489506256.db2.gz KCVPBGGFQZBZJG-HNNXBMFYSA-N 2 2 370.453 0.811 20 0 FCADLP C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000414590893 489506589 /nfs/dbraw/zinc/50/65/89/489506589.db2.gz ARERHJCMDYLVBU-JKSUJKDBSA-N 2 2 368.522 0.090 20 0 FCADLP C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000414590893 489506591 /nfs/dbraw/zinc/50/65/91/489506591.db2.gz ARERHJCMDYLVBU-JKSUJKDBSA-N 2 2 368.522 0.090 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)s1 ZINC000423249302 489506958 /nfs/dbraw/zinc/50/69/58/489506958.db2.gz OOPOALYPSPPVJN-UHFFFAOYSA-N 2 2 350.488 0.387 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[NH2+]1 ZINC000415429502 489520216 /nfs/dbraw/zinc/52/02/16/489520216.db2.gz IMPLVTBFDCBXQM-OAHLLOKOSA-N 2 2 359.474 0.193 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000570721193 491260352 /nfs/dbraw/zinc/26/03/52/491260352.db2.gz UOYMOHIRHYGGHI-HUUCEWRRSA-N 2 2 362.474 0.377 20 0 FCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000570729097 491260845 /nfs/dbraw/zinc/26/08/45/491260845.db2.gz AGUIEDHNNIVCTD-INIZCTEOSA-N 2 2 359.467 0.539 20 0 FCADLP COC[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451925615 489531419 /nfs/dbraw/zinc/53/14/19/489531419.db2.gz LCDHJHDAVYTYMU-FQEVSTJZSA-N 2 2 361.486 0.662 20 0 FCADLP COC[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451925615 489531422 /nfs/dbraw/zinc/53/14/22/489531422.db2.gz LCDHJHDAVYTYMU-FQEVSTJZSA-N 2 2 361.486 0.662 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415609283 489536221 /nfs/dbraw/zinc/53/62/21/489536221.db2.gz VOLDMTQMARGMIK-FQEVSTJZSA-N 2 2 372.469 0.669 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563661219 491261437 /nfs/dbraw/zinc/26/14/37/491261437.db2.gz PBORBZAHXWLHTC-AWEZNQCLSA-N 2 2 350.488 0.508 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563661222 491261498 /nfs/dbraw/zinc/26/14/98/491261498.db2.gz PBORBZAHXWLHTC-CQSZACIVSA-N 2 2 350.488 0.508 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CC1 ZINC000415687497 489541741 /nfs/dbraw/zinc/54/17/41/489541741.db2.gz ISNCHXORMCYFLG-HXUWFJFHSA-N 2 2 373.501 0.570 20 0 FCADLP C[C@@](O)(CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000563655315 491261650 /nfs/dbraw/zinc/26/16/50/491261650.db2.gz GKHADPDJJJIVAL-HXUWFJFHSA-N 2 2 372.469 0.673 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036065 489553601 /nfs/dbraw/zinc/55/36/01/489553601.db2.gz MANJOIAAQSAGEG-DLBZAZTESA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCO1 ZINC000426036065 489553605 /nfs/dbraw/zinc/55/36/05/489553605.db2.gz MANJOIAAQSAGEG-DLBZAZTESA-N 2 2 355.527 0.280 20 0 FCADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000426154975 489556844 /nfs/dbraw/zinc/55/68/44/489556844.db2.gz YCUUQHAQGZOKEH-SFHVURJKSA-N 2 2 364.538 0.899 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1O ZINC000426146949 489556861 /nfs/dbraw/zinc/55/68/61/489556861.db2.gz BBAQXVVBHGANMM-VQIMIIECSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@H]1O ZINC000426146949 489556865 /nfs/dbraw/zinc/55/68/65/489556865.db2.gz BBAQXVVBHGANMM-VQIMIIECSA-N 2 2 361.486 0.838 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415861758 489560655 /nfs/dbraw/zinc/56/06/55/489560655.db2.gz JRYSHRJAWBUGTJ-CQSZACIVSA-N 2 2 371.441 0.806 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416003527 489567377 /nfs/dbraw/zinc/56/73/77/489567377.db2.gz GZZSJKUMPHASIP-ZYHUDNBSSA-N 2 2 365.400 0.260 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000372292993 489567540 /nfs/dbraw/zinc/56/75/40/489567540.db2.gz FYNHVJXOGOQJRF-QGZVFWFLSA-N 2 2 359.474 0.636 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000372292993 489567543 /nfs/dbraw/zinc/56/75/43/489567543.db2.gz FYNHVJXOGOQJRF-QGZVFWFLSA-N 2 2 359.474 0.636 20 0 FCADLP C[N@H+](CCCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000454837471 489579135 /nfs/dbraw/zinc/57/91/35/489579135.db2.gz XACUVFUBXDQXHZ-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP C[N@@H+](CCCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000454837471 489579136 /nfs/dbraw/zinc/57/91/36/489579136.db2.gz XACUVFUBXDQXHZ-UHFFFAOYSA-N 2 2 364.494 1.211 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000555670143 491264596 /nfs/dbraw/zinc/26/45/96/491264596.db2.gz HSQWVTDRHDRDJO-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000555670143 491264597 /nfs/dbraw/zinc/26/45/97/491264597.db2.gz HSQWVTDRHDRDJO-UHFFFAOYSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372397816 489580736 /nfs/dbraw/zinc/58/07/36/489580736.db2.gz ICFIZPZMQBBKGA-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000570795513 491264955 /nfs/dbraw/zinc/26/49/55/491264955.db2.gz WQHXBNWNQVKWOU-ZDUSSCGKSA-N 2 2 363.430 0.288 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000570795513 491264957 /nfs/dbraw/zinc/26/49/57/491264957.db2.gz WQHXBNWNQVKWOU-ZDUSSCGKSA-N 2 2 363.430 0.288 20 0 FCADLP CC(C)CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000372484819 489589206 /nfs/dbraw/zinc/58/92/06/489589206.db2.gz NGUGJWCWSYTCNM-MRXNPFEDSA-N 2 2 365.522 0.665 20 0 FCADLP CC(C)CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000372484819 489589208 /nfs/dbraw/zinc/58/92/08/489589208.db2.gz NGUGJWCWSYTCNM-MRXNPFEDSA-N 2 2 365.522 0.665 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372604281 489607032 /nfs/dbraw/zinc/60/70/32/489607032.db2.gz BPWGDMAULBVKSL-MRXNPFEDSA-N 2 2 357.458 0.400 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372604281 489607035 /nfs/dbraw/zinc/60/70/35/489607035.db2.gz BPWGDMAULBVKSL-MRXNPFEDSA-N 2 2 357.458 0.400 20 0 FCADLP O=C(NCCN1CC[NH2+]CC1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416820593 489630836 /nfs/dbraw/zinc/63/08/36/489630836.db2.gz KWVIAWAGGACPOI-OAHLLOKOSA-N 2 2 367.519 0.326 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000372738283 489631654 /nfs/dbraw/zinc/63/16/54/489631654.db2.gz GFIFKRXMALZVBX-MSOLQXFVSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000428021748 489632960 /nfs/dbraw/zinc/63/29/60/489632960.db2.gz GOLXTFSTNJVLKQ-HNNXBMFYSA-N 2 2 374.485 0.749 20 0 FCADLP C[C@H]1CN(C(=O)CNC(=O)c2cccc(O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000428021748 489632962 /nfs/dbraw/zinc/63/29/62/489632962.db2.gz GOLXTFSTNJVLKQ-HNNXBMFYSA-N 2 2 374.485 0.749 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428034352 489633654 /nfs/dbraw/zinc/63/36/54/489633654.db2.gz NZUVBYBRHWCQIM-SJORKVTESA-N 2 2 350.507 0.776 20 0 FCADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428034352 489633656 /nfs/dbraw/zinc/63/36/56/489633656.db2.gz NZUVBYBRHWCQIM-SJORKVTESA-N 2 2 350.507 0.776 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000417005833 489638109 /nfs/dbraw/zinc/63/81/09/489638109.db2.gz YSMLHKBMUIQMCI-SFHVURJKSA-N 2 2 364.490 0.904 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000417067317 489640532 /nfs/dbraw/zinc/64/05/32/489640532.db2.gz DBDQQZMJQMVQTK-HNNXBMFYSA-N 2 2 362.478 0.913 20 0 FCADLP CN(C(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1C[NH2+]C[C@@H]1O ZINC000417222431 489644987 /nfs/dbraw/zinc/64/49/87/489644987.db2.gz PRJWLKJOEXZCOG-RYUDHWBXSA-N 2 2 368.235 0.571 20 0 FCADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000417211440 489645221 /nfs/dbraw/zinc/64/52/21/489645221.db2.gz DSHMXDGPGZWWTN-SKDRFNHKSA-N 2 2 368.235 0.476 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000417292269 489646859 /nfs/dbraw/zinc/64/68/59/489646859.db2.gz BWJASNSUFKFPBW-QGZVFWFLSA-N 2 2 362.474 0.888 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC1CC[NH2+]CC1 ZINC000417319994 489648180 /nfs/dbraw/zinc/64/81/80/489648180.db2.gz OXNMFBALZMNNOR-UHFFFAOYSA-N 2 2 362.474 0.949 20 0 FCADLP C[C@H](CCC[NH3+])NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417366432 489649443 /nfs/dbraw/zinc/64/94/43/489649443.db2.gz KPKFWJGXLOVRBH-OAHLLOKOSA-N 2 2 362.478 0.547 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457580218 489649552 /nfs/dbraw/zinc/64/95/52/489649552.db2.gz PFHTZKXMGRISBE-WNKDZCFJSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457580218 489649554 /nfs/dbraw/zinc/64/95/54/489649554.db2.gz PFHTZKXMGRISBE-WNKDZCFJSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457580218 489649559 /nfs/dbraw/zinc/64/95/59/489649559.db2.gz PFHTZKXMGRISBE-WNKDZCFJSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000457580218 489649561 /nfs/dbraw/zinc/64/95/61/489649561.db2.gz PFHTZKXMGRISBE-WNKDZCFJSA-N 2 2 356.511 0.582 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417395723 489651001 /nfs/dbraw/zinc/65/10/01/489651001.db2.gz WNXWSEIVNBJWLD-UHFFFAOYSA-N 3 2 356.421 0.487 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000372985131 489658690 /nfs/dbraw/zinc/65/86/90/489658690.db2.gz VWEXQCFFZQCMPQ-IRXDYDNUSA-N 2 2 366.506 0.794 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417636843 489660148 /nfs/dbraw/zinc/66/01/48/489660148.db2.gz YLPVTICBWKSROK-KRWDZBQOSA-N 2 2 367.538 0.993 20 0 FCADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@H](C)CO ZINC000428840438 489666229 /nfs/dbraw/zinc/66/62/29/489666229.db2.gz NPTDSMCMMIPUQN-MRXNPFEDSA-N 2 2 361.486 0.968 20 0 FCADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)[C@H](C)CO ZINC000428840438 489666230 /nfs/dbraw/zinc/66/62/30/489666230.db2.gz NPTDSMCMMIPUQN-MRXNPFEDSA-N 2 2 361.486 0.968 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000555742844 491270023 /nfs/dbraw/zinc/27/00/23/491270023.db2.gz YGMWSNQGBXYOCF-HNNXBMFYSA-N 2 2 362.474 0.201 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428989574 489669427 /nfs/dbraw/zinc/66/94/27/489669427.db2.gz DTZFJYXHTFUBSB-CQSZACIVSA-N 2 2 357.458 0.912 20 0 FCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000373110526 489669735 /nfs/dbraw/zinc/66/97/35/489669735.db2.gz DDJXJZQZQLGVRL-INIZCTEOSA-N 2 2 357.495 0.077 20 0 FCADLP CCC[N@H+](CC(N)=O)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429119286 489673217 /nfs/dbraw/zinc/67/32/17/489673217.db2.gz ZTTBNOTWLPMORA-UHFFFAOYSA-N 2 2 362.474 0.332 20 0 FCADLP CCC[N@@H+](CC(N)=O)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429119286 489673219 /nfs/dbraw/zinc/67/32/19/489673219.db2.gz ZTTBNOTWLPMORA-UHFFFAOYSA-N 2 2 362.474 0.332 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458455502 489684115 /nfs/dbraw/zinc/68/41/15/489684115.db2.gz LBAVCMBEODWBCS-KURKYZTESA-N 2 2 367.538 0.422 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458455502 489684119 /nfs/dbraw/zinc/68/41/19/489684119.db2.gz LBAVCMBEODWBCS-KURKYZTESA-N 2 2 367.538 0.422 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)NCC3([NH+]4CCOCC4)CC3)n2)CC1 ZINC000373349175 489684611 /nfs/dbraw/zinc/68/46/11/489684611.db2.gz HFYPURFKMYSREO-UHFFFAOYSA-N 2 2 362.478 1.136 20 0 FCADLP C[NH2+]CCNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418315156 489690747 /nfs/dbraw/zinc/69/07/47/489690747.db2.gz GTFUPRDPLQPAIT-UHFFFAOYSA-N 2 2 351.426 0.102 20 0 FCADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000429520083 489690913 /nfs/dbraw/zinc/69/09/13/489690913.db2.gz KTHKJJJGYKFTAP-YJBOKZPZSA-N 2 2 374.485 0.503 20 0 FCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000429526123 489691043 /nfs/dbraw/zinc/69/10/43/489691043.db2.gz GLCREPRQEWWLPF-MRXNPFEDSA-N 2 2 362.474 0.980 20 0 FCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000429526123 489691047 /nfs/dbraw/zinc/69/10/47/489691047.db2.gz GLCREPRQEWWLPF-MRXNPFEDSA-N 2 2 362.474 0.980 20 0 FCADLP Cn1nc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OC(F)F ZINC000429646582 489695038 /nfs/dbraw/zinc/69/50/38/489695038.db2.gz MKJPKSFIONQZKF-UHFFFAOYSA-N 2 2 360.409 1.169 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000418377839 489695052 /nfs/dbraw/zinc/69/50/52/489695052.db2.gz ZPDFILDZDNAKLC-SJORKVTESA-N 2 2 364.490 0.609 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000418377829 489695129 /nfs/dbraw/zinc/69/51/29/489695129.db2.gz ZPDFILDZDNAKLC-DLBZAZTESA-N 2 2 364.490 0.609 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000429708520 489698140 /nfs/dbraw/zinc/69/81/40/489698140.db2.gz KMDQXUKMUWLTOC-GOSISDBHSA-N 2 2 352.523 0.727 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000429708520 489698143 /nfs/dbraw/zinc/69/81/43/489698143.db2.gz KMDQXUKMUWLTOC-GOSISDBHSA-N 2 2 352.523 0.727 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000458781840 489702280 /nfs/dbraw/zinc/70/22/80/489702280.db2.gz UEBCNHHDFHPCQE-CKEIUWERSA-N 2 2 362.478 0.866 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000458781840 489702283 /nfs/dbraw/zinc/70/22/83/489702283.db2.gz UEBCNHHDFHPCQE-CKEIUWERSA-N 2 2 362.478 0.866 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000458794657 489703397 /nfs/dbraw/zinc/70/33/97/489703397.db2.gz MEBIBMVZZLXBLB-KRWDZBQOSA-N 2 2 367.538 0.565 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000458794657 489703400 /nfs/dbraw/zinc/70/34/00/489703400.db2.gz MEBIBMVZZLXBLB-KRWDZBQOSA-N 2 2 367.538 0.565 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000458794657 489703407 /nfs/dbraw/zinc/70/34/07/489703407.db2.gz MEBIBMVZZLXBLB-KRWDZBQOSA-N 2 2 367.538 0.565 20 0 FCADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000418532462 489705459 /nfs/dbraw/zinc/70/54/59/489705459.db2.gz SXSCZMMNBUOAHO-CQSZACIVSA-N 2 2 365.453 0.620 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(OCCO)CC1 ZINC000555799332 491273541 /nfs/dbraw/zinc/27/35/41/491273541.db2.gz FWMLFXYMHFLRIA-INIZCTEOSA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418707612 489719586 /nfs/dbraw/zinc/71/95/86/489719586.db2.gz BRQROSMTEGBYLK-KFWWJZLASA-N 2 2 351.495 0.498 20 0 FCADLP Cc1cc(N2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)nc(C(C)C)[nH+]1 ZINC000418753584 489721908 /nfs/dbraw/zinc/72/19/08/489721908.db2.gz ABCLGNAZXRGKPE-OAHLLOKOSA-N 2 2 362.478 0.728 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418758314 489723047 /nfs/dbraw/zinc/72/30/47/489723047.db2.gz CMMQAPFCCVKHJT-IRXDYDNUSA-N 2 2 365.522 0.857 20 0 FCADLP CCCN(CCC)S(=O)(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459425857 489731381 /nfs/dbraw/zinc/73/13/81/489731381.db2.gz SMZNBEGWXBCWBT-UHFFFAOYSA-N 2 2 357.524 0.947 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489859072 489731559 /nfs/dbraw/zinc/73/15/59/489731559.db2.gz PHKXCDHDCMNMKR-BRWVUGGUSA-N 2 2 374.485 0.311 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489859075 489731921 /nfs/dbraw/zinc/73/19/21/489731921.db2.gz PHKXCDHDCMNMKR-IXDOHACOSA-N 2 2 374.485 0.311 20 0 FCADLP C[C@H](O)C[NH+]1CCN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1 ZINC000489902046 489734247 /nfs/dbraw/zinc/73/42/47/489734247.db2.gz YTIASMKHVDLDSM-INIZCTEOSA-N 2 2 370.501 0.884 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC(=O)NCc1cccs1 ZINC000489942734 489736420 /nfs/dbraw/zinc/73/64/20/489736420.db2.gz QBLROMLHNBJPAQ-ZDUSSCGKSA-N 2 2 351.476 0.053 20 0 FCADLP CCOCc1ccc(CNC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000489940882 489736485 /nfs/dbraw/zinc/73/64/85/489736485.db2.gz JQKZZAIRSUPPPK-LJQANCHMSA-N 2 2 360.502 0.819 20 0 FCADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000563887818 491275093 /nfs/dbraw/zinc/27/50/93/491275093.db2.gz BETSYCBGFZUFDS-INIZCTEOSA-N 2 2 350.507 0.921 20 0 FCADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000563887818 491275095 /nfs/dbraw/zinc/27/50/95/491275095.db2.gz BETSYCBGFZUFDS-INIZCTEOSA-N 2 2 350.507 0.921 20 0 FCADLP Cc1cccc(N2CCN(C(=O)C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)c1 ZINC000489956767 489737536 /nfs/dbraw/zinc/73/75/36/489737536.db2.gz NGQNDHCEYFNSOB-HXUWFJFHSA-N 2 2 371.529 0.623 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418824201 489740600 /nfs/dbraw/zinc/74/06/00/489740600.db2.gz CWZPMBFPAKEQEK-QGZVFWFLSA-N 2 2 362.474 0.072 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418824201 489740605 /nfs/dbraw/zinc/74/06/05/489740605.db2.gz CWZPMBFPAKEQEK-QGZVFWFLSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546612 489744904 /nfs/dbraw/zinc/74/49/04/489744904.db2.gz SDQMBYOWZNOGSQ-GXTWGEPZSA-N 2 2 366.487 0.282 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000430546612 489744909 /nfs/dbraw/zinc/74/49/09/489744909.db2.gz SDQMBYOWZNOGSQ-GXTWGEPZSA-N 2 2 366.487 0.282 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835111 489746417 /nfs/dbraw/zinc/74/64/17/489746417.db2.gz PJUNEAXHJNOSOE-KURKYZTESA-N 2 2 374.485 0.390 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835111 489746422 /nfs/dbraw/zinc/74/64/22/489746422.db2.gz PJUNEAXHJNOSOE-KURKYZTESA-N 2 2 374.485 0.390 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1C ZINC000430584949 489748078 /nfs/dbraw/zinc/74/80/78/489748078.db2.gz QMWQYDUFNYOSQF-UHFFFAOYSA-N 2 2 356.492 0.806 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1C ZINC000430584949 489748081 /nfs/dbraw/zinc/74/80/81/489748081.db2.gz QMWQYDUFNYOSQF-UHFFFAOYSA-N 2 2 356.492 0.806 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418837419 489748188 /nfs/dbraw/zinc/74/81/88/489748188.db2.gz SUUVEYKGBXDGNE-IAGOWNOFSA-N 2 2 362.474 0.103 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418837419 489748192 /nfs/dbraw/zinc/74/81/92/489748192.db2.gz SUUVEYKGBXDGNE-IAGOWNOFSA-N 2 2 362.474 0.103 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430588341 489749435 /nfs/dbraw/zinc/74/94/35/489749435.db2.gz DIJMOVWCLXNUDH-GFCCVEGCSA-N 2 2 368.503 0.528 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430588341 489749437 /nfs/dbraw/zinc/74/94/37/489749437.db2.gz DIJMOVWCLXNUDH-GFCCVEGCSA-N 2 2 368.503 0.528 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608288 489751888 /nfs/dbraw/zinc/75/18/88/489751888.db2.gz FAUVJDLKSUFKCO-HUUCEWRRSA-N 2 2 362.474 0.625 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430608288 489751892 /nfs/dbraw/zinc/75/18/92/489751892.db2.gz FAUVJDLKSUFKCO-HUUCEWRRSA-N 2 2 362.474 0.625 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000418842363 489752656 /nfs/dbraw/zinc/75/26/56/489752656.db2.gz ZVWUJWCTHZTNFR-JZXOWHBKSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH2+]1 ZINC000418842363 489752660 /nfs/dbraw/zinc/75/26/60/489752660.db2.gz ZVWUJWCTHZTNFR-JZXOWHBKSA-N 2 2 374.485 0.212 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000418844309 489753361 /nfs/dbraw/zinc/75/33/61/489753361.db2.gz TZOIROSYWXCFGB-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430618737 489754545 /nfs/dbraw/zinc/75/45/45/489754545.db2.gz WQVDRKRCIRAEBI-ZDUSSCGKSA-N 2 2 352.866 0.708 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430618737 489754549 /nfs/dbraw/zinc/75/45/49/489754549.db2.gz WQVDRKRCIRAEBI-ZDUSSCGKSA-N 2 2 352.866 0.708 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000418849282 489755894 /nfs/dbraw/zinc/75/58/94/489755894.db2.gz CYRSJXCPPXKVJJ-GJZGRUSLSA-N 2 2 352.866 0.912 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)[nH+]c2c1 ZINC000418852091 489756268 /nfs/dbraw/zinc/75/62/68/489756268.db2.gz USRYPATZCNYQRU-GXTWGEPZSA-N 2 2 359.430 0.488 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634675 489759356 /nfs/dbraw/zinc/75/93/56/489759356.db2.gz DXRYSOFJMVSIKX-QWHCGFSZSA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000430634675 489759359 /nfs/dbraw/zinc/75/93/59/489759359.db2.gz DXRYSOFJMVSIKX-QWHCGFSZSA-N 2 2 354.476 0.592 20 0 FCADLP C[C@@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000430637191 489760757 /nfs/dbraw/zinc/76/07/57/489760757.db2.gz BWUZKTBVOLIAPA-CYBMUJFWSA-N 2 2 352.866 0.881 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000430637191 489760760 /nfs/dbraw/zinc/76/07/60/489760760.db2.gz BWUZKTBVOLIAPA-CYBMUJFWSA-N 2 2 352.866 0.881 20 0 FCADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430646619 489762253 /nfs/dbraw/zinc/76/22/53/489762253.db2.gz WRVBERDYXWOAAN-ZDUSSCGKSA-N 2 2 368.428 0.376 20 0 FCADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430646619 489762255 /nfs/dbraw/zinc/76/22/55/489762255.db2.gz WRVBERDYXWOAAN-ZDUSSCGKSA-N 2 2 368.428 0.376 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430653302 489762883 /nfs/dbraw/zinc/76/28/83/489762883.db2.gz YRLRZPYMQQMJLU-KRWDZBQOSA-N 3 2 352.523 0.808 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430653302 489762887 /nfs/dbraw/zinc/76/28/87/489762887.db2.gz YRLRZPYMQQMJLU-KRWDZBQOSA-N 3 2 352.523 0.808 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655563 489763431 /nfs/dbraw/zinc/76/34/31/489763431.db2.gz RULZOZDHBCZBNJ-OLZOCXBDSA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655563 489763436 /nfs/dbraw/zinc/76/34/36/489763436.db2.gz RULZOZDHBCZBNJ-OLZOCXBDSA-N 2 2 354.476 0.592 20 0 FCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430734541 489767288 /nfs/dbraw/zinc/76/72/88/489767288.db2.gz NFGDVIHFZPRZNF-QGZVFWFLSA-N 2 2 366.506 0.206 20 0 FCADLP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000430731367 489767487 /nfs/dbraw/zinc/76/74/87/489767487.db2.gz VUURCEIUCWMAPA-IAGOWNOFSA-N 2 2 350.507 0.955 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1CC[NH+](CC(F)F)CC1 ZINC000376651965 489767700 /nfs/dbraw/zinc/76/77/00/489767700.db2.gz HQHVVHDPEZUWLF-INIZCTEOSA-N 2 2 374.476 0.486 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+](CC(F)F)CC1 ZINC000376651965 489767704 /nfs/dbraw/zinc/76/77/04/489767704.db2.gz HQHVVHDPEZUWLF-INIZCTEOSA-N 2 2 374.476 0.486 20 0 FCADLP O=C(C[C@H]1C[NH2+]CCO1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430734540 489768069 /nfs/dbraw/zinc/76/80/69/489768069.db2.gz NFGDVIHFZPRZNF-KRWDZBQOSA-N 2 2 366.506 0.206 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430736127 489768105 /nfs/dbraw/zinc/76/81/05/489768105.db2.gz ZXYOJVWVYDQYHV-HOTGVXAUSA-N 2 2 366.506 0.062 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000430744984 489768592 /nfs/dbraw/zinc/76/85/92/489768592.db2.gz XEHLRUBGMBLBDN-BZSNNMDCSA-N 2 2 362.518 0.968 20 0 FCADLP CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474569906 489770518 /nfs/dbraw/zinc/77/05/18/489770518.db2.gz HNXGEEAILFSLKM-CVEARBPZSA-N 2 2 364.494 0.909 20 0 FCADLP CCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474569906 489770522 /nfs/dbraw/zinc/77/05/22/489770522.db2.gz HNXGEEAILFSLKM-CVEARBPZSA-N 2 2 364.494 0.909 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]1 ZINC000418882226 489773170 /nfs/dbraw/zinc/77/31/70/489773170.db2.gz YLBFKBODLDQEET-SWLSCSKDSA-N 2 2 352.866 0.879 20 0 FCADLP CCN1CCN(C(=O)NCCC[N@H+](C)CCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474670346 489778529 /nfs/dbraw/zinc/77/85/29/489778529.db2.gz SJRZCLCNGSDRQH-HNNXBMFYSA-N 2 2 352.483 0.766 20 0 FCADLP CCN1CCN(C(=O)NCCC[N@@H+](C)CCOC)C[C@H]1c1[nH]cc[nH+]1 ZINC000474670346 489778533 /nfs/dbraw/zinc/77/85/33/489778533.db2.gz SJRZCLCNGSDRQH-HNNXBMFYSA-N 2 2 352.483 0.766 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430957167 489782463 /nfs/dbraw/zinc/78/24/63/489782463.db2.gz RBBMJILWKUCAKX-OFQRWUPVSA-N 2 2 359.536 0.860 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000418906111 489784610 /nfs/dbraw/zinc/78/46/10/489784610.db2.gz QAJKTKGIXNVEGF-LSDHHAIUSA-N 2 2 355.442 0.756 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000431011888 489785754 /nfs/dbraw/zinc/78/57/54/489785754.db2.gz CLUSFRAFAQAGFW-HUUCEWRRSA-N 2 2 357.520 0.486 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000459912736 489789423 /nfs/dbraw/zinc/78/94/23/489789423.db2.gz BLBCSFPQMHIJRF-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000459912736 489789426 /nfs/dbraw/zinc/78/94/26/489789426.db2.gz BLBCSFPQMHIJRF-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000418915382 489790166 /nfs/dbraw/zinc/79/01/66/489790166.db2.gz ZGIPXPJJMNHLLO-QAPCUYQASA-N 2 2 369.469 0.991 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000459921228 489793914 /nfs/dbraw/zinc/79/39/14/489793914.db2.gz PBASJVDVQRZUFE-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000459920189 489794093 /nfs/dbraw/zinc/79/40/93/489794093.db2.gz MYLWJSJMOHPTPT-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000459920189 489794097 /nfs/dbraw/zinc/79/40/97/489794097.db2.gz MYLWJSJMOHPTPT-QGZVFWFLSA-N 2 2 368.522 0.357 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418935857 489796707 /nfs/dbraw/zinc/79/67/07/489796707.db2.gz DJAWKGKWFCVSEO-ZDUSSCGKSA-N 2 2 350.488 0.338 20 0 FCADLP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418935857 489796710 /nfs/dbraw/zinc/79/67/10/489796710.db2.gz DJAWKGKWFCVSEO-ZDUSSCGKSA-N 2 2 350.488 0.338 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418942714 489798132 /nfs/dbraw/zinc/79/81/32/489798132.db2.gz LQQSXFCMYDBDTQ-SFHVURJKSA-N 2 2 362.499 0.434 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418942714 489798135 /nfs/dbraw/zinc/79/81/35/489798135.db2.gz LQQSXFCMYDBDTQ-SFHVURJKSA-N 2 2 362.499 0.434 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418944350 489799129 /nfs/dbraw/zinc/79/91/29/489799129.db2.gz NNGBVQYZSWKUOW-AWEZNQCLSA-N 2 2 352.504 0.856 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418944350 489799132 /nfs/dbraw/zinc/79/91/32/489799132.db2.gz NNGBVQYZSWKUOW-AWEZNQCLSA-N 2 2 352.504 0.856 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418943843 489799236 /nfs/dbraw/zinc/79/92/36/489799236.db2.gz NFZKSUYKVCYACO-UHFFFAOYSA-N 2 2 352.504 0.856 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418943843 489799240 /nfs/dbraw/zinc/79/92/40/489799240.db2.gz NFZKSUYKVCYACO-UHFFFAOYSA-N 2 2 352.504 0.856 20 0 FCADLP O=C(NCCCC[NH+]1CCN(CCO)CC1)NCc1ccn2cc[nH+]c2c1 ZINC000475109182 489806164 /nfs/dbraw/zinc/80/61/64/489806164.db2.gz LRGLBWQYWKDWEW-UHFFFAOYSA-N 2 2 374.489 0.524 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000418983985 489810612 /nfs/dbraw/zinc/81/06/12/489810612.db2.gz DMQAPWMGQPMTLM-IUODEOHRSA-N 2 2 373.457 0.690 20 0 FCADLP CN(C(=O)[C@H]1COCCN1CC(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376890270 489812710 /nfs/dbraw/zinc/81/27/10/489812710.db2.gz XKZPCDWVDIQIIY-JKSUJKDBSA-N 2 2 374.476 0.579 20 0 FCADLP CN(C(=O)[C@H]1COCCN1CC(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376890270 489812712 /nfs/dbraw/zinc/81/27/12/489812712.db2.gz XKZPCDWVDIQIIY-JKSUJKDBSA-N 2 2 374.476 0.579 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000491952376 489814598 /nfs/dbraw/zinc/81/45/98/489814598.db2.gz BBECLPGNEGUTHO-SJORKVTESA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000491952376 489814601 /nfs/dbraw/zinc/81/46/01/489814601.db2.gz BBECLPGNEGUTHO-SJORKVTESA-N 2 2 368.522 0.327 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000460015250 489818878 /nfs/dbraw/zinc/81/88/78/489818878.db2.gz JLPFHIDKMVAWER-UHFFFAOYSA-N 2 2 373.501 0.755 20 0 FCADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1c1nc(C2CC2)no1 ZINC000492170155 489820724 /nfs/dbraw/zinc/82/07/24/489820724.db2.gz USTIUOVRHOIVAN-HNNXBMFYSA-N 2 2 362.478 0.400 20 0 FCADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1c1nc(C2CC2)no1 ZINC000492170155 489820728 /nfs/dbraw/zinc/82/07/28/489820728.db2.gz USTIUOVRHOIVAN-HNNXBMFYSA-N 2 2 362.478 0.400 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000460027065 489822811 /nfs/dbraw/zinc/82/28/11/489822811.db2.gz HLYFOEGUOBOYIO-MRXNPFEDSA-N 2 2 368.522 0.092 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000431942663 489824033 /nfs/dbraw/zinc/82/40/33/489824033.db2.gz SJDBFNFGXOAGMX-UHFFFAOYSA-N 2 2 363.462 0.832 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000431967666 489824937 /nfs/dbraw/zinc/82/49/37/489824937.db2.gz VAPDUSLVGMBSSL-CQSZACIVSA-N 2 2 373.457 0.518 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000431967666 489824939 /nfs/dbraw/zinc/82/49/39/489824939.db2.gz VAPDUSLVGMBSSL-CQSZACIVSA-N 2 2 373.457 0.518 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000460038186 489827205 /nfs/dbraw/zinc/82/72/05/489827205.db2.gz UZXOXUJPOLQVEJ-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCC[NH3+])[nH+]c12 ZINC000419044913 489832147 /nfs/dbraw/zinc/83/21/47/489832147.db2.gz RBUBXAYIRUNYDB-UHFFFAOYSA-N 2 2 354.208 0.096 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419046009 489833198 /nfs/dbraw/zinc/83/31/98/489833198.db2.gz XCDSSEMNHCZMCJ-LJQANCHMSA-N 2 2 353.426 0.701 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000475578413 489836927 /nfs/dbraw/zinc/83/69/27/489836927.db2.gz AYSODOCUNCHCBK-CABCVRRESA-N 2 2 350.467 0.820 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000475578413 489836931 /nfs/dbraw/zinc/83/69/31/489836931.db2.gz AYSODOCUNCHCBK-CABCVRRESA-N 2 2 350.467 0.820 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000555911936 491282492 /nfs/dbraw/zinc/28/24/92/491282492.db2.gz FXTVSZSDPDXULP-UHFFFAOYSA-N 2 2 369.469 0.754 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(F)cc1 ZINC000419082431 489849576 /nfs/dbraw/zinc/84/95/76/489849576.db2.gz PRKJSVQSZFLEHY-VNQPRFMTSA-N 2 2 371.416 0.585 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1F ZINC000419086807 489851407 /nfs/dbraw/zinc/85/14/07/489851407.db2.gz YIJRTVNDXUVMLS-HNNXBMFYSA-N 2 2 373.432 0.975 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419110705 489858524 /nfs/dbraw/zinc/85/85/24/489858524.db2.gz CLQSCGOZCGJGFL-HOCLYGCPSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419110701 489858983 /nfs/dbraw/zinc/85/89/83/489858983.db2.gz CLQSCGOZCGJGFL-GDBMZVCRSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419111507 489859530 /nfs/dbraw/zinc/85/95/30/489859530.db2.gz DFCITWOKGCWDEP-OWCLPIDISA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115430 489861789 /nfs/dbraw/zinc/86/17/89/489861789.db2.gz JPIYLMBJBWYHFH-DLBZAZTESA-N 2 2 368.522 0.437 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000419114479 489861942 /nfs/dbraw/zinc/86/19/42/489861942.db2.gz HXLMEKOSRCYMOT-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000419116784 489862971 /nfs/dbraw/zinc/86/29/71/489862971.db2.gz LKTOKYNNCPQUIZ-GOEBONIOSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419118906 489863236 /nfs/dbraw/zinc/86/32/36/489863236.db2.gz OIQGMMONLBUCNE-IAGOWNOFSA-N 2 2 371.485 0.756 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419120538 489865546 /nfs/dbraw/zinc/86/55/46/489865546.db2.gz QPMIIOJHHSELMP-GVDBMIGSSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419122043 489865942 /nfs/dbraw/zinc/86/59/42/489865942.db2.gz SXRMVSUMSWKQAA-XHSDSOJGSA-N 2 2 354.495 0.045 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000419123108 489867108 /nfs/dbraw/zinc/86/71/08/489867108.db2.gz VDRFPWPLZMDNJK-MAUKXSAKSA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419123370 489867244 /nfs/dbraw/zinc/86/72/44/489867244.db2.gz VSXRZTORYKHKRJ-IAGOWNOFSA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000433138332 489867654 /nfs/dbraw/zinc/86/76/54/489867654.db2.gz ROFXKHVPEHZVKP-QGZVFWFLSA-N 2 2 362.474 0.918 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419124526 489868368 /nfs/dbraw/zinc/86/83/68/489868368.db2.gz XLWIWQWWSQXGDB-HZPDHXFCSA-N 2 2 354.495 0.093 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419124145 489868388 /nfs/dbraw/zinc/86/83/88/489868388.db2.gz WZGBFCIDFUGOOO-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419125078 489868562 /nfs/dbraw/zinc/86/85/62/489868562.db2.gz YVVUGSTVCQOHAG-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419125073 489868727 /nfs/dbraw/zinc/86/87/27/489868727.db2.gz YVSWRSAVZIXVFI-BRWVUGGUSA-N 2 2 368.522 0.483 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000419982770 489872054 /nfs/dbraw/zinc/87/20/54/489872054.db2.gz BOLMZDDLRHVIEA-OAHLLOKOSA-N 2 2 362.474 0.583 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187867 489873558 /nfs/dbraw/zinc/87/35/58/489873558.db2.gz FFKBQHBXWCUTPU-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CCO1 ZINC000494187867 489873561 /nfs/dbraw/zinc/87/35/61/489873561.db2.gz FFKBQHBXWCUTPU-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419998971 489877317 /nfs/dbraw/zinc/87/73/17/489877317.db2.gz OATISIDSMZOJAX-MRXNPFEDSA-N 2 2 362.474 0.439 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000420012594 489880391 /nfs/dbraw/zinc/88/03/91/489880391.db2.gz BHJBLVDSAJLTHD-RBSFLKMASA-N 2 2 362.478 0.249 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000420013713 489881094 /nfs/dbraw/zinc/88/10/94/489881094.db2.gz MGARWHASNRZYMN-CVEARBPZSA-N 2 2 362.474 0.199 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420016013 489881378 /nfs/dbraw/zinc/88/13/78/489881378.db2.gz RKBGTHNTBYFAKR-CYBMUJFWSA-N 2 2 352.866 0.838 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000420016013 489881382 /nfs/dbraw/zinc/88/13/82/489881382.db2.gz RKBGTHNTBYFAKR-CYBMUJFWSA-N 2 2 352.866 0.838 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420020111 489882168 /nfs/dbraw/zinc/88/21/68/489882168.db2.gz RPNLTZIILOCIAN-NVXWUHKLSA-N 3 2 367.538 0.105 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420020111 489882172 /nfs/dbraw/zinc/88/21/72/489882172.db2.gz RPNLTZIILOCIAN-NVXWUHKLSA-N 3 2 367.538 0.105 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019203 489882437 /nfs/dbraw/zinc/88/24/37/489882437.db2.gz ZXDAUMISLZTCQQ-OIISXLGYSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019203 489882441 /nfs/dbraw/zinc/88/24/41/489882441.db2.gz ZXDAUMISLZTCQQ-OIISXLGYSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420056669 489897026 /nfs/dbraw/zinc/89/70/26/489897026.db2.gz HMCORZODWDPWDD-SWLSCSKDSA-N 2 2 350.488 0.807 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420104725 489913461 /nfs/dbraw/zinc/91/34/61/489913461.db2.gz RJZVBVITCPMNIO-KRWUTGMMSA-N 2 2 370.497 0.958 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000420107338 489914448 /nfs/dbraw/zinc/91/44/48/489914448.db2.gz VWSSICPZSUKMSR-UHFFFAOYSA-N 2 2 360.458 0.087 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000420131798 489924155 /nfs/dbraw/zinc/92/41/55/489924155.db2.gz XNFFQKARXVOBPK-GJZGRUSLSA-N 2 2 362.478 0.143 20 0 FCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000420131798 489924157 /nfs/dbraw/zinc/92/41/57/489924157.db2.gz XNFFQKARXVOBPK-GJZGRUSLSA-N 2 2 362.478 0.143 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434391199 489925504 /nfs/dbraw/zinc/92/55/04/489925504.db2.gz POBKTRDIRDXYNF-QZTJIDSGSA-N 2 2 369.554 0.622 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420149163 489932544 /nfs/dbraw/zinc/93/25/44/489932544.db2.gz HKVGTVLUKLQBTK-UHFFFAOYSA-N 2 2 365.384 0.600 20 0 FCADLP CCN1CCN(CCOCC[N@@H+]2CCN(CC)C(=O)[C@@H]2C)[C@@H](C)C1=O ZINC000495256793 489933001 /nfs/dbraw/zinc/93/30/01/489933001.db2.gz UKUFTBWXVBJOPV-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCN1CCN(CCOCC[N@H+]2CCN(CC)C(=O)[C@@H]2C)[C@@H](C)C1=O ZINC000495256793 489933003 /nfs/dbraw/zinc/93/30/03/489933003.db2.gz UKUFTBWXVBJOPV-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCN1CC[NH+](CCOCC[N@H+]2CCN(CC)C(=O)[C@@H]2C)[C@@H](C)C1=O ZINC000495256793 489933007 /nfs/dbraw/zinc/93/30/07/489933007.db2.gz UKUFTBWXVBJOPV-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CCN1CC[NH+](CCOCC[N@@H+]2CCN(CC)C(=O)[C@@H]2C)[C@@H](C)C1=O ZINC000495256793 489933011 /nfs/dbraw/zinc/93/30/11/489933011.db2.gz UKUFTBWXVBJOPV-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420155283 489934500 /nfs/dbraw/zinc/93/45/00/489934500.db2.gz UHVDNDCTSIDOCN-KBPBESRZSA-N 2 2 368.428 0.818 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420155283 489934502 /nfs/dbraw/zinc/93/45/02/489934502.db2.gz UHVDNDCTSIDOCN-KBPBESRZSA-N 2 2 368.428 0.818 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000420165712 489937682 /nfs/dbraw/zinc/93/76/82/489937682.db2.gz NJQAKXCNYUYKPI-UHFFFAOYSA-N 2 2 352.435 0.018 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000420171711 489940086 /nfs/dbraw/zinc/94/00/86/489940086.db2.gz ULNGJAYIEMAMLY-AWEZNQCLSA-N 2 2 354.495 0.108 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000420171711 489940089 /nfs/dbraw/zinc/94/00/89/489940089.db2.gz ULNGJAYIEMAMLY-AWEZNQCLSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000420178181 489942638 /nfs/dbraw/zinc/94/26/38/489942638.db2.gz ZWQLATBOSGTQKN-CGQZWFTASA-N 2 2 358.486 0.958 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420183026 489943378 /nfs/dbraw/zinc/94/33/78/489943378.db2.gz KWYOATQICATKOH-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420183026 489943382 /nfs/dbraw/zinc/94/33/82/489943382.db2.gz KWYOATQICATKOH-MRXNPFEDSA-N 2 2 362.474 0.072 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000571170121 491290148 /nfs/dbraw/zinc/29/01/48/491290148.db2.gz QOCZPKOLCVPXCE-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000571170121 491290149 /nfs/dbraw/zinc/29/01/49/491290149.db2.gz QOCZPKOLCVPXCE-LPHOPBHVSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)CCC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709286 489951220 /nfs/dbraw/zinc/95/12/20/489951220.db2.gz FUOSAYMYVMEEFF-OALUTQOASA-N 2 2 356.555 0.682 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)CCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709286 489951222 /nfs/dbraw/zinc/95/12/22/489951222.db2.gz FUOSAYMYVMEEFF-OALUTQOASA-N 2 2 356.555 0.682 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758143 489953322 /nfs/dbraw/zinc/95/33/22/489953322.db2.gz DKDXBEHZRQXAHH-MSOLQXFVSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758143 489953324 /nfs/dbraw/zinc/95/33/24/489953324.db2.gz DKDXBEHZRQXAHH-MSOLQXFVSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758143 489953327 /nfs/dbraw/zinc/95/33/27/489953327.db2.gz DKDXBEHZRQXAHH-MSOLQXFVSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N1CCNC(=O)C1 ZINC000377758143 489953329 /nfs/dbraw/zinc/95/33/29/489953329.db2.gz DKDXBEHZRQXAHH-MSOLQXFVSA-N 2 2 356.470 0.399 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)([NH+](C)C)C1 ZINC000477291584 489956115 /nfs/dbraw/zinc/95/61/15/489956115.db2.gz AGJNZOORLKBDQR-VCBZYWHSSA-N 2 2 361.490 0.941 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000462127326 489959481 /nfs/dbraw/zinc/95/94/81/489959481.db2.gz SEMPIZBIKRHSTL-INIZCTEOSA-N 2 2 355.527 0.911 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000462127326 489959484 /nfs/dbraw/zinc/95/94/84/489959484.db2.gz SEMPIZBIKRHSTL-INIZCTEOSA-N 2 2 355.527 0.911 20 0 FCADLP O=C([C@@H]1CCC[N@H+](Cc2ncn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000420284128 489960497 /nfs/dbraw/zinc/96/04/97/489960497.db2.gz CJQLFLRRTHPNTP-MRXNPFEDSA-N 2 2 354.458 0.911 20 0 FCADLP O=C([C@@H]1CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)C1)N1CC[NH2+]CC1 ZINC000420284128 489960500 /nfs/dbraw/zinc/96/05/00/489960500.db2.gz CJQLFLRRTHPNTP-MRXNPFEDSA-N 2 2 354.458 0.911 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307356 489961337 /nfs/dbraw/zinc/96/13/37/489961337.db2.gz LYJYCUDTNXRSII-STQMWFEESA-N 2 2 362.396 0.436 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307356 489961341 /nfs/dbraw/zinc/96/13/41/489961341.db2.gz LYJYCUDTNXRSII-STQMWFEESA-N 2 2 362.396 0.436 20 0 FCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000420302331 489961627 /nfs/dbraw/zinc/96/16/27/489961627.db2.gz FSSMSLRALQMWEG-SFHVURJKSA-N 3 2 351.539 0.299 20 0 FCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000420302331 489961632 /nfs/dbraw/zinc/96/16/32/489961632.db2.gz FSSMSLRALQMWEG-SFHVURJKSA-N 3 2 351.539 0.299 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307353 489961880 /nfs/dbraw/zinc/96/18/80/489961880.db2.gz LYJYCUDTNXRSII-OLZOCXBDSA-N 2 2 362.396 0.436 20 0 FCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000420307353 489961883 /nfs/dbraw/zinc/96/18/83/489961883.db2.gz LYJYCUDTNXRSII-OLZOCXBDSA-N 2 2 362.396 0.436 20 0 FCADLP CCCCn1c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312612 489963044 /nfs/dbraw/zinc/96/30/44/489963044.db2.gz SRHJWCBEXTUPKP-YNEHKIRRSA-N 2 2 360.462 0.805 20 0 FCADLP CCCCn1c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312612 489963046 /nfs/dbraw/zinc/96/30/46/489963046.db2.gz SRHJWCBEXTUPKP-YNEHKIRRSA-N 2 2 360.462 0.805 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000420329596 489963837 /nfs/dbraw/zinc/96/38/37/489963837.db2.gz JZDMTURJALKVKY-UHFFFAOYSA-N 2 2 354.476 0.605 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000420329596 489963840 /nfs/dbraw/zinc/96/38/40/489963840.db2.gz JZDMTURJALKVKY-UHFFFAOYSA-N 2 2 354.476 0.605 20 0 FCADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000420341691 489964834 /nfs/dbraw/zinc/96/48/34/489964834.db2.gz VENAMWFUDTYINK-UHFFFAOYSA-N 2 2 368.503 0.951 20 0 FCADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000420341691 489964838 /nfs/dbraw/zinc/96/48/38/489964838.db2.gz VENAMWFUDTYINK-UHFFFAOYSA-N 2 2 368.503 0.951 20 0 FCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351532 489966243 /nfs/dbraw/zinc/96/62/43/489966243.db2.gz XCQXRHNTGUOYSO-GJZGRUSLSA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351532 489966246 /nfs/dbraw/zinc/96/62/46/489966246.db2.gz XCQXRHNTGUOYSO-GJZGRUSLSA-N 2 2 367.291 0.955 20 0 FCADLP COC(=O)C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000420363051 489967178 /nfs/dbraw/zinc/96/71/78/489967178.db2.gz OVQAXMJWVWBCAR-UHFFFAOYSA-N 2 2 355.385 0.762 20 0 FCADLP COC(=O)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000420363051 489967184 /nfs/dbraw/zinc/96/71/84/489967184.db2.gz OVQAXMJWVWBCAR-UHFFFAOYSA-N 2 2 355.385 0.762 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420361588 489967350 /nfs/dbraw/zinc/96/73/50/489967350.db2.gz IBMRMKLUPDVDFJ-IIYDPXPESA-N 2 2 368.503 0.852 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C[C@@H](O)C[NH3+] ZINC000420358748 489967482 /nfs/dbraw/zinc/96/74/82/489967482.db2.gz UVFITINIVKKIDG-INIZCTEOSA-N 2 2 354.882 0.236 20 0 FCADLP C[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C[C@@H](O)C[NH3+] ZINC000420358748 489967485 /nfs/dbraw/zinc/96/74/85/489967485.db2.gz UVFITINIVKKIDG-INIZCTEOSA-N 2 2 354.882 0.236 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C[C@@H](O)C[NH3+] ZINC000420358748 489967489 /nfs/dbraw/zinc/96/74/89/489967489.db2.gz UVFITINIVKKIDG-INIZCTEOSA-N 2 2 354.882 0.236 20 0 FCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000420361265 489967895 /nfs/dbraw/zinc/96/78/95/489967895.db2.gz MAERBPCAUSMWHB-AWEZNQCLSA-N 2 2 355.527 0.008 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420378568 489969375 /nfs/dbraw/zinc/96/93/75/489969375.db2.gz MEEMPASEAJESMU-UONOGXRCSA-N 2 2 368.503 0.792 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420378568 489969379 /nfs/dbraw/zinc/96/93/79/489969379.db2.gz MEEMPASEAJESMU-UONOGXRCSA-N 2 2 368.503 0.792 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)CCCO1 ZINC000420387510 489970678 /nfs/dbraw/zinc/97/06/78/489970678.db2.gz KBAPEJXOLBJADB-SFHVURJKSA-N 2 2 357.458 0.597 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)CCCO1 ZINC000420387510 489970679 /nfs/dbraw/zinc/97/06/79/489970679.db2.gz KBAPEJXOLBJADB-SFHVURJKSA-N 2 2 357.458 0.597 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000420386937 489970867 /nfs/dbraw/zinc/97/08/67/489970867.db2.gz VJFCSUJPBJUAPA-RYUDHWBXSA-N 2 2 354.401 0.936 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000420386937 489970871 /nfs/dbraw/zinc/97/08/71/489970871.db2.gz VJFCSUJPBJUAPA-RYUDHWBXSA-N 2 2 354.401 0.936 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420422456 489974013 /nfs/dbraw/zinc/97/40/13/489974013.db2.gz ZMXWIVMTOQJHDP-AAEUAGOBSA-N 2 2 361.425 0.965 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420422456 489974018 /nfs/dbraw/zinc/97/40/18/489974018.db2.gz ZMXWIVMTOQJHDP-AAEUAGOBSA-N 2 2 361.425 0.965 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477819552 489992490 /nfs/dbraw/zinc/99/24/90/489992490.db2.gz PCLIKHSRGHERDB-OAGGEKHMSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477819552 489992493 /nfs/dbraw/zinc/99/24/93/489992493.db2.gz PCLIKHSRGHERDB-OAGGEKHMSA-N 2 2 356.511 0.582 20 0 FCADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478012338 490000299 /nfs/dbraw/zinc/00/02/99/490000299.db2.gz ZXTNKINZRDRVED-UKRRQHHQSA-N 2 2 354.414 0.984 20 0 FCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000571150285 491288715 /nfs/dbraw/zinc/28/87/15/491288715.db2.gz WVFWXCZOHWPUSD-QGZVFWFLSA-N 2 2 371.489 0.065 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCCOCC1 ZINC000436507790 490007596 /nfs/dbraw/zinc/00/75/96/490007596.db2.gz AXRYMSKQJICXKM-UHFFFAOYSA-N 3 2 355.527 0.376 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCCOCC1 ZINC000436507790 490007601 /nfs/dbraw/zinc/00/76/01/490007601.db2.gz AXRYMSKQJICXKM-UHFFFAOYSA-N 3 2 355.527 0.376 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000436507790 490007604 /nfs/dbraw/zinc/00/76/04/490007604.db2.gz AXRYMSKQJICXKM-UHFFFAOYSA-N 3 2 355.527 0.376 20 0 FCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000436507790 490007607 /nfs/dbraw/zinc/00/76/07/490007607.db2.gz AXRYMSKQJICXKM-UHFFFAOYSA-N 3 2 355.527 0.376 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)[N@H+]1C ZINC000436507252 490008083 /nfs/dbraw/zinc/00/80/83/490008083.db2.gz FUCXCFYWJIIERK-GASCZTMLSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H](C)[N@@H+]1C ZINC000436507252 490008088 /nfs/dbraw/zinc/00/80/88/490008088.db2.gz FUCXCFYWJIIERK-GASCZTMLSA-N 2 2 350.467 0.772 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCOCC1 ZINC000478184444 490008587 /nfs/dbraw/zinc/00/85/87/490008587.db2.gz VIVDLACMQBMPGW-DLBZAZTESA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478215493 490010446 /nfs/dbraw/zinc/01/04/46/490010446.db2.gz ZXEBPJVHPXVRDR-OKZBNKHCSA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCOCC1 ZINC000478215493 490010449 /nfs/dbraw/zinc/01/04/49/490010449.db2.gz ZXEBPJVHPXVRDR-OKZBNKHCSA-N 2 2 370.538 0.830 20 0 FCADLP Cc1cccc2ncc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n21 ZINC000378200409 490028086 /nfs/dbraw/zinc/02/80/86/490028086.db2.gz GEJUCZRUXAPCNZ-MRXNPFEDSA-N 2 2 357.458 0.665 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000478829509 490041225 /nfs/dbraw/zinc/04/12/25/490041225.db2.gz VRIMQAQEWHCNCL-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000478829509 490041231 /nfs/dbraw/zinc/04/12/31/490041231.db2.gz VRIMQAQEWHCNCL-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000478829509 490041233 /nfs/dbraw/zinc/04/12/33/490041233.db2.gz VRIMQAQEWHCNCL-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000478829509 490041236 /nfs/dbraw/zinc/04/12/36/490041236.db2.gz VRIMQAQEWHCNCL-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000421192140 490053902 /nfs/dbraw/zinc/05/39/02/490053902.db2.gz AFTIWKQVEJHDAT-OFLPRAFFSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)on1 ZINC000378429565 490063776 /nfs/dbraw/zinc/06/37/76/490063776.db2.gz MGROLMFGCTWZBX-AWEZNQCLSA-N 2 2 352.435 0.469 20 0 FCADLP CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000571269603 491296820 /nfs/dbraw/zinc/29/68/20/491296820.db2.gz KIDMJUBUDNRXBR-AWEZNQCLSA-N 2 2 355.508 0.628 20 0 FCADLP CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000571269603 491296821 /nfs/dbraw/zinc/29/68/21/491296821.db2.gz KIDMJUBUDNRXBR-AWEZNQCLSA-N 2 2 355.508 0.628 20 0 FCADLP CCOCCNC(=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421370216 490077317 /nfs/dbraw/zinc/07/73/17/490077317.db2.gz WTMGNHIFXJDXKT-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CCOCCNC(=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421370216 490077323 /nfs/dbraw/zinc/07/73/23/490077323.db2.gz WTMGNHIFXJDXKT-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000495627324 490084441 /nfs/dbraw/zinc/08/44/41/490084441.db2.gz XNDVRCXXEKETTB-MRXNPFEDSA-N 2 2 352.866 0.833 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000519801973 490087577 /nfs/dbraw/zinc/08/75/77/490087577.db2.gz JEWALEXIQGQNRI-UHFFFAOYSA-N 2 2 373.505 0.932 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000519801973 490087579 /nfs/dbraw/zinc/08/75/79/490087579.db2.gz JEWALEXIQGQNRI-UHFFFAOYSA-N 2 2 373.505 0.932 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000506455657 490093512 /nfs/dbraw/zinc/09/35/12/490093512.db2.gz SGJVBQIROXEHMH-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000506455657 490093513 /nfs/dbraw/zinc/09/35/13/490093513.db2.gz SGJVBQIROXEHMH-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000519832581 490094535 /nfs/dbraw/zinc/09/45/35/490094535.db2.gz IWCWJYPBXPUKIS-NVXWUHKLSA-N 2 2 360.458 0.334 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000519832581 490094536 /nfs/dbraw/zinc/09/45/36/490094536.db2.gz IWCWJYPBXPUKIS-NVXWUHKLSA-N 2 2 360.458 0.334 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000506525138 490101751 /nfs/dbraw/zinc/10/17/51/490101751.db2.gz QQCGVDSHJUHYCY-GOSISDBHSA-N 3 2 355.527 0.157 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000506566378 490105335 /nfs/dbraw/zinc/10/53/35/490105335.db2.gz XWQLNKVIJKKAGN-ZBFHGGJFSA-N 2 2 359.536 0.684 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000479670463 490114494 /nfs/dbraw/zinc/11/44/94/490114494.db2.gz CPIINDOHMIZWLV-QZTJIDSGSA-N 2 2 369.554 0.501 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000479670463 490114501 /nfs/dbraw/zinc/11/45/01/490114501.db2.gz CPIINDOHMIZWLV-QZTJIDSGSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000479670463 490114510 /nfs/dbraw/zinc/11/45/10/490114510.db2.gz CPIINDOHMIZWLV-QZTJIDSGSA-N 2 2 369.554 0.501 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000479670463 490114516 /nfs/dbraw/zinc/11/45/16/490114516.db2.gz CPIINDOHMIZWLV-QZTJIDSGSA-N 2 2 369.554 0.501 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCOCC1 ZINC000520197415 490115890 /nfs/dbraw/zinc/11/58/90/490115890.db2.gz QGBBAIVXESEPEI-UONOGXRCSA-N 2 2 360.458 0.496 20 0 FCADLP Cc1c[nH+]ccc1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000479937141 490139652 /nfs/dbraw/zinc/13/96/52/490139652.db2.gz DKDODWDKUKALQE-UHFFFAOYSA-N 2 2 361.471 0.771 20 0 FCADLP CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000571350587 491302144 /nfs/dbraw/zinc/30/21/44/491302144.db2.gz WYVDAUDRSKNHAF-GVDBMIGSSA-N 2 2 362.474 0.902 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000465769921 490142086 /nfs/dbraw/zinc/14/20/86/490142086.db2.gz IPPXRVKUIDNBKY-INIZCTEOSA-N 2 2 355.527 0.912 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)[nH+]c12 ZINC000520412418 490146252 /nfs/dbraw/zinc/14/62/52/490146252.db2.gz YGXWPJFDVIVFTL-MRXNPFEDSA-N 2 2 369.469 0.856 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000497338605 490149541 /nfs/dbraw/zinc/14/95/41/490149541.db2.gz RANHWHGRIFZCNC-HNNXBMFYSA-N 2 2 368.522 0.545 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000497338605 490149547 /nfs/dbraw/zinc/14/95/47/490149547.db2.gz RANHWHGRIFZCNC-HNNXBMFYSA-N 2 2 368.522 0.545 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc(Cl)c1OCC(N)=O ZINC000392629761 490153447 /nfs/dbraw/zinc/15/34/47/490153447.db2.gz XXYMHPVQDXTAFX-CYBMUJFWSA-N 2 2 370.881 0.548 20 0 FCADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc(Cl)c1OCC(N)=O ZINC000392629761 490153457 /nfs/dbraw/zinc/15/34/57/490153457.db2.gz XXYMHPVQDXTAFX-CYBMUJFWSA-N 2 2 370.881 0.548 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000465934105 490154146 /nfs/dbraw/zinc/15/41/46/490154146.db2.gz XXKFOXNFDUOVOL-UHFFFAOYSA-N 2 2 355.527 0.914 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000465934105 490154154 /nfs/dbraw/zinc/15/41/54/490154154.db2.gz XXKFOXNFDUOVOL-UHFFFAOYSA-N 2 2 355.527 0.914 20 0 FCADLP CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000480095829 490161091 /nfs/dbraw/zinc/16/10/91/490161091.db2.gz UNJUHDHHRQSEMQ-UHFFFAOYSA-N 2 2 362.455 0.938 20 0 FCADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 ZINC000497458993 490164339 /nfs/dbraw/zinc/16/43/39/490164339.db2.gz JHHLEMGYQASWPI-VQIMIIECSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000398144856 490166154 /nfs/dbraw/zinc/16/61/54/490166154.db2.gz NKDZCFARCUKOSO-VNQPRFMTSA-N 2 2 353.488 0.528 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000398144856 490166160 /nfs/dbraw/zinc/16/61/60/490166160.db2.gz NKDZCFARCUKOSO-VNQPRFMTSA-N 2 2 353.488 0.528 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000497510383 490169122 /nfs/dbraw/zinc/16/91/22/490169122.db2.gz ZGRVUDBRCDFYAJ-IJEWVQPXSA-N 2 2 354.401 0.808 20 0 FCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000497510383 490169137 /nfs/dbraw/zinc/16/91/37/490169137.db2.gz ZGRVUDBRCDFYAJ-IJEWVQPXSA-N 2 2 354.401 0.808 20 0 FCADLP CCOC1CC(CNC(=O)N(C)CC[NH+]2CCCC2)([NH+]2CCOCC2)C1 ZINC000446944381 490174088 /nfs/dbraw/zinc/17/40/88/490174088.db2.gz RWFBPUHJLDETLN-UHFFFAOYSA-N 2 2 368.522 0.994 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000556240666 491305280 /nfs/dbraw/zinc/30/52/80/491305280.db2.gz GACKHCYCVLNUIF-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556240666 491305281 /nfs/dbraw/zinc/30/52/81/491305281.db2.gz GACKHCYCVLNUIF-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404399504 490180076 /nfs/dbraw/zinc/18/00/76/490180076.db2.gz QGOJXULAHXSPLB-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404399504 490180088 /nfs/dbraw/zinc/18/00/88/490180088.db2.gz QGOJXULAHXSPLB-BRWVUGGUSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000564430835 491306530 /nfs/dbraw/zinc/30/65/30/491306530.db2.gz QZPFCPWXCVTVLP-NVXWUHKLSA-N 2 2 362.474 0.886 20 0 FCADLP CCCN1C[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000422171624 490196800 /nfs/dbraw/zinc/19/68/00/490196800.db2.gz CLRASQJQENYQHW-HNNXBMFYSA-N 2 2 353.511 0.570 20 0 FCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000507356816 490202334 /nfs/dbraw/zinc/20/23/34/490202334.db2.gz FOEGOSXGIYXKRH-UHFFFAOYSA-N 2 2 367.538 0.023 20 0 FCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000507356816 490202338 /nfs/dbraw/zinc/20/23/38/490202338.db2.gz FOEGOSXGIYXKRH-UHFFFAOYSA-N 2 2 367.538 0.023 20 0 FCADLP CCC(CC)[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000480496936 490202842 /nfs/dbraw/zinc/20/28/42/490202842.db2.gz UWPPWNAFZNZFSC-HKUYNNGSSA-N 2 2 371.522 0.323 20 0 FCADLP CCC(CC)[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000480496938 490203095 /nfs/dbraw/zinc/20/30/95/490203095.db2.gz UWPPWNAFZNZFSC-IEBWSBKVSA-N 2 2 371.522 0.323 20 0 FCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000497727501 490204527 /nfs/dbraw/zinc/20/45/27/490204527.db2.gz YBRPQMAFNQWZGH-XJKSGUPXSA-N 2 2 353.488 0.311 20 0 FCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000497727501 490204533 /nfs/dbraw/zinc/20/45/33/490204533.db2.gz YBRPQMAFNQWZGH-XJKSGUPXSA-N 2 2 353.488 0.311 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000556273807 491307737 /nfs/dbraw/zinc/30/77/37/491307737.db2.gz WPNGLBWLKKQLRH-UHFFFAOYSA-N 2 2 373.501 0.869 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)C2CCOCC2)CC1 ZINC000533310375 490212482 /nfs/dbraw/zinc/21/24/82/490212482.db2.gz CVRQJMZFJZHWDT-UHFFFAOYSA-N 2 2 373.461 0.123 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)C2CCOCC2)CC1 ZINC000533310375 490212487 /nfs/dbraw/zinc/21/24/87/490212487.db2.gz CVRQJMZFJZHWDT-UHFFFAOYSA-N 2 2 373.461 0.123 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1)[NH+]1CCOCC1 ZINC000546690179 490230318 /nfs/dbraw/zinc/23/03/18/490230318.db2.gz CMUNQMZFCBPUHZ-UHFFFAOYSA-N 2 2 369.506 0.485 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCOC2(CCOCC2)CC1)[NH+]1CCOCC1 ZINC000546690179 490230325 /nfs/dbraw/zinc/23/03/25/490230325.db2.gz CMUNQMZFCBPUHZ-UHFFFAOYSA-N 2 2 369.506 0.485 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954362 490232943 /nfs/dbraw/zinc/23/29/43/490232943.db2.gz MAKNNKRYCSJLEC-HUUCEWRRSA-N 2 2 360.462 0.122 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000466954362 490232945 /nfs/dbraw/zinc/23/29/45/490232945.db2.gz MAKNNKRYCSJLEC-HUUCEWRRSA-N 2 2 360.462 0.122 20 0 FCADLP [NH3+]CCN(CCO)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000466994065 490236489 /nfs/dbraw/zinc/23/64/89/490236489.db2.gz XMEVQIWCKXSEQN-UHFFFAOYSA-N 2 2 354.882 0.237 20 0 FCADLP Cn1cnc2c1c(=O)n(CCC[N@H+](CC[NH3+])Cc1ccccc1)c(=O)n2C ZINC000466991079 490236572 /nfs/dbraw/zinc/23/65/72/490236572.db2.gz DALWWGRBPQWEMP-UHFFFAOYSA-N 2 2 370.457 0.285 20 0 FCADLP Cn1cnc2c1c(=O)n(CCC[N@@H+](CC[NH3+])Cc1ccccc1)c(=O)n2C ZINC000466991079 490236576 /nfs/dbraw/zinc/23/65/76/490236576.db2.gz DALWWGRBPQWEMP-UHFFFAOYSA-N 2 2 370.457 0.285 20 0 FCADLP CN(CC[N@H+](C)C1CC1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000546732228 490237723 /nfs/dbraw/zinc/23/77/23/490237723.db2.gz GIGLGGZBXHWOPO-UHFFFAOYSA-N 2 2 367.519 0.548 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000546732228 490237727 /nfs/dbraw/zinc/23/77/27/490237727.db2.gz GIGLGGZBXHWOPO-UHFFFAOYSA-N 2 2 367.519 0.548 20 0 FCADLP COc1ccc2nc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)[nH]c2n1 ZINC000564497358 491310865 /nfs/dbraw/zinc/31/08/65/491310865.db2.gz LBONANCCIMEYKT-UHFFFAOYSA-N 2 2 360.462 0.856 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1CCO ZINC000571497950 491311685 /nfs/dbraw/zinc/31/16/85/491311685.db2.gz TWSDWSYJEYOLQE-NSHGMRRFSA-N 2 2 374.529 0.889 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000571497950 491311687 /nfs/dbraw/zinc/31/16/87/491311687.db2.gz TWSDWSYJEYOLQE-NSHGMRRFSA-N 2 2 374.529 0.889 20 0 FCADLP [NH3+]CCC1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000521450227 490264662 /nfs/dbraw/zinc/26/46/62/490264662.db2.gz NUPXRNQFWXZDEC-UHFFFAOYSA-N 2 2 358.486 0.918 20 0 FCADLP C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556513462 491317403 /nfs/dbraw/zinc/31/74/03/491317403.db2.gz SLIWELMXJIQISQ-QOKNQOGYSA-N 2 2 371.485 0.766 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368242 490281889 /nfs/dbraw/zinc/28/18/89/490281889.db2.gz UOBBUFZKKFVLGO-HOTGVXAUSA-N 2 2 359.474 0.718 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000422368242 490281892 /nfs/dbraw/zinc/28/18/92/490281892.db2.gz UOBBUFZKKFVLGO-HOTGVXAUSA-N 2 2 359.474 0.718 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCC3CCOCC3)CC2)CC1 ZINC000408277020 490293532 /nfs/dbraw/zinc/29/35/32/490293532.db2.gz MRNBQYQUWCDILD-UHFFFAOYSA-N 2 2 374.551 0.303 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000533980108 490307921 /nfs/dbraw/zinc/30/79/21/490307921.db2.gz DNEGSBKEPBSNHE-CVEARBPZSA-N 2 2 367.538 0.959 20 0 FCADLP NC(=O)CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571578351 491316962 /nfs/dbraw/zinc/31/69/62/491316962.db2.gz IZXKFUKUZGXZOO-UHFFFAOYSA-N 2 2 370.457 0.436 20 0 FCADLP CCOc1ccccc1N1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000564655127 491318213 /nfs/dbraw/zinc/31/82/13/491318213.db2.gz CHKDZBRZWFMYEH-HUUCEWRRSA-N 2 2 360.458 0.540 20 0 FCADLP CCOc1ccccc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000564655127 491318216 /nfs/dbraw/zinc/31/82/16/491318216.db2.gz CHKDZBRZWFMYEH-HUUCEWRRSA-N 2 2 360.458 0.540 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467713801 490333480 /nfs/dbraw/zinc/33/34/80/490333480.db2.gz FIDJBBMXWFKWTG-ALOPSCKCSA-N 2 2 363.502 0.952 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000522143376 490347215 /nfs/dbraw/zinc/34/72/15/490347215.db2.gz SDYCGXMLLNPFPL-INIZCTEOSA-N 2 2 374.576 0.542 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000483901956 490354304 /nfs/dbraw/zinc/35/43/04/490354304.db2.gz ZKYMWLJZEAWERP-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000483901956 490354312 /nfs/dbraw/zinc/35/43/12/490354312.db2.gz ZKYMWLJZEAWERP-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000483901956 490354323 /nfs/dbraw/zinc/35/43/23/490354323.db2.gz ZKYMWLJZEAWERP-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000483901956 490354331 /nfs/dbraw/zinc/35/43/31/490354331.db2.gz ZKYMWLJZEAWERP-JKSUJKDBSA-N 2 2 368.522 0.450 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000498858484 490355100 /nfs/dbraw/zinc/35/51/00/490355100.db2.gz UYOBKZDORMMXSN-QGZVFWFLSA-N 2 2 364.490 0.078 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000498858484 490355103 /nfs/dbraw/zinc/35/51/03/490355103.db2.gz UYOBKZDORMMXSN-QGZVFWFLSA-N 2 2 364.490 0.078 20 0 FCADLP CC[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000448684953 490372646 /nfs/dbraw/zinc/37/26/46/490372646.db2.gz RNLZMKGTGWFGHQ-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000448684953 490372656 /nfs/dbraw/zinc/37/26/56/490372656.db2.gz RNLZMKGTGWFGHQ-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411207454 490405686 /nfs/dbraw/zinc/40/56/86/490405686.db2.gz NSSAEADVSNYNGO-HNNXBMFYSA-N 2 2 359.430 0.842 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845771 490415113 /nfs/dbraw/zinc/41/51/13/490415113.db2.gz FSVMWHDSAQQMRK-RCCFBDPRSA-N 2 2 362.474 0.252 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000534845771 490415115 /nfs/dbraw/zinc/41/51/15/490415115.db2.gz FSVMWHDSAQQMRK-RCCFBDPRSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000534845771 490415120 /nfs/dbraw/zinc/41/51/20/490415120.db2.gz FSVMWHDSAQQMRK-RCCFBDPRSA-N 2 2 362.474 0.252 20 0 FCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534845771 490415124 /nfs/dbraw/zinc/41/51/24/490415124.db2.gz FSVMWHDSAQQMRK-RCCFBDPRSA-N 2 2 362.474 0.252 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000548076796 490416332 /nfs/dbraw/zinc/41/63/32/490416332.db2.gz JIMMYKBHVRBDLJ-KRWDZBQOSA-N 2 2 367.515 0.866 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000548076796 490416339 /nfs/dbraw/zinc/41/63/39/490416339.db2.gz JIMMYKBHVRBDLJ-KRWDZBQOSA-N 2 2 367.515 0.866 20 0 FCADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000523022623 490428261 /nfs/dbraw/zinc/42/82/61/490428261.db2.gz DJXMTXYEHZBIBY-UHFFFAOYSA-N 2 2 372.429 0.528 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535011667 490436361 /nfs/dbraw/zinc/43/63/61/490436361.db2.gz CUNLSXODCYARJK-FGTMMUONSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535011667 490436367 /nfs/dbraw/zinc/43/63/67/490436367.db2.gz CUNLSXODCYARJK-FGTMMUONSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535011676 490437044 /nfs/dbraw/zinc/43/70/44/490437044.db2.gz CUNLSXODCYARJK-KZNAEPCWSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000535011676 490437049 /nfs/dbraw/zinc/43/70/49/490437049.db2.gz CUNLSXODCYARJK-KZNAEPCWSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634154 490437264 /nfs/dbraw/zinc/43/72/64/490437264.db2.gz JFSANZSEKYGQAT-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634154 490437271 /nfs/dbraw/zinc/43/72/71/490437271.db2.gz JFSANZSEKYGQAT-AGIUHOORSA-N 2 2 354.476 0.578 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000422640285 490438118 /nfs/dbraw/zinc/43/81/18/490438118.db2.gz VJWWDYMIMZNGKA-MJBXVCDLSA-N 2 2 368.503 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1S(N)(=O)=O ZINC000422640285 490438122 /nfs/dbraw/zinc/43/81/22/490438122.db2.gz VJWWDYMIMZNGKA-MJBXVCDLSA-N 2 2 368.503 0.886 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-n4ccnc4)nn3)CC2)CC1 ZINC000523125069 490444346 /nfs/dbraw/zinc/44/43/46/490444346.db2.gz IEFWLCAVADGURS-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)CC1 ZINC000523125069 490444355 /nfs/dbraw/zinc/44/43/55/490444355.db2.gz IEFWLCAVADGURS-UHFFFAOYSA-N 3 2 369.473 0.951 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411403567 490449126 /nfs/dbraw/zinc/44/91/26/490449126.db2.gz BZKHJNWRSBBESU-ZDUSSCGKSA-N 2 2 366.437 0.867 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000411403567 490449133 /nfs/dbraw/zinc/44/91/33/490449133.db2.gz BZKHJNWRSBBESU-ZDUSSCGKSA-N 2 2 366.437 0.867 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097783 490456586 /nfs/dbraw/zinc/45/65/86/490456586.db2.gz YFNBQJMJSNAZIP-HZPDHXFCSA-N 2 2 359.536 0.827 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097783 490456590 /nfs/dbraw/zinc/45/65/90/490456590.db2.gz YFNBQJMJSNAZIP-HZPDHXFCSA-N 2 2 359.536 0.827 20 0 FCADLP CCN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1=O ZINC000548283711 490456872 /nfs/dbraw/zinc/45/68/72/490456872.db2.gz NXDHOJAQZXQPQX-HNNXBMFYSA-N 2 2 365.522 0.807 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1OC ZINC000484739637 490461669 /nfs/dbraw/zinc/46/16/69/490461669.db2.gz UYZOBIXDOAWREW-GVDBMIGSSA-N 2 2 356.511 0.846 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1OC ZINC000484739637 490461675 /nfs/dbraw/zinc/46/16/75/490461675.db2.gz UYZOBIXDOAWREW-GVDBMIGSSA-N 2 2 356.511 0.846 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422708282 490462288 /nfs/dbraw/zinc/46/22/88/490462288.db2.gz IUTHDQUOVCPURZ-GJZGRUSLSA-N 3 2 355.508 0.249 20 0 FCADLP CC(C)OC[C@@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448162 490465724 /nfs/dbraw/zinc/46/57/24/490465724.db2.gz KODVIZHJUSCRPH-INIZCTEOSA-N 2 2 365.478 0.221 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000571778867 491328762 /nfs/dbraw/zinc/32/87/62/491328762.db2.gz XDYZVHHDDZRNCA-UHFFFAOYSA-N 2 2 351.451 0.185 20 0 FCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000564825001 491328892 /nfs/dbraw/zinc/32/88/92/491328892.db2.gz OKNQVNLNOANLSF-ZFWWWQNUSA-N 2 2 350.488 0.588 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000484919632 490479441 /nfs/dbraw/zinc/47/94/41/490479441.db2.gz UUAPTKVTOTUOCW-QWHCGFSZSA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000484919632 490479449 /nfs/dbraw/zinc/47/94/49/490479449.db2.gz UUAPTKVTOTUOCW-QWHCGFSZSA-N 2 2 354.476 0.558 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000523664493 490482976 /nfs/dbraw/zinc/48/29/76/490482976.db2.gz RWNOTXNTBJEQOM-UHFFFAOYSA-N 2 2 373.457 0.314 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000523664493 490482981 /nfs/dbraw/zinc/48/29/81/490482981.db2.gz RWNOTXNTBJEQOM-UHFFFAOYSA-N 2 2 373.457 0.314 20 0 FCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422915081 490497175 /nfs/dbraw/zinc/49/71/75/490497175.db2.gz XAGUEVWWJSPVJC-WDSOQIARSA-N 2 2 360.502 0.468 20 0 FCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422915081 490497179 /nfs/dbraw/zinc/49/71/79/490497179.db2.gz XAGUEVWWJSPVJC-WDSOQIARSA-N 3 2 360.502 0.468 20 0 FCADLP COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422932003 490500415 /nfs/dbraw/zinc/50/04/15/490500415.db2.gz DNKZGNQCGFRDCS-GOEBONIOSA-N 2 2 371.503 0.468 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000535576337 490503520 /nfs/dbraw/zinc/50/35/20/490503520.db2.gz WLHBMDVBUVGACX-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1O ZINC000535576337 490503528 /nfs/dbraw/zinc/50/35/28/490503528.db2.gz WLHBMDVBUVGACX-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000564861172 491332084 /nfs/dbraw/zinc/33/20/84/491332084.db2.gz YRJYJBFUQHFMIC-AKNDPVLGSA-N 2 2 362.536 0.650 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394140 490511043 /nfs/dbraw/zinc/51/10/43/490511043.db2.gz OOLDISZJUHCXSH-HOTGVXAUSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000500394140 490511047 /nfs/dbraw/zinc/51/10/47/490511047.db2.gz OOLDISZJUHCXSH-HOTGVXAUSA-N 3 2 355.527 0.109 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000500435021 490516770 /nfs/dbraw/zinc/51/67/70/490516770.db2.gz LVWSUMCPFBSDHW-HNNXBMFYSA-N 2 2 354.495 0.060 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C(N)=O ZINC000451136696 490518691 /nfs/dbraw/zinc/51/86/91/490518691.db2.gz GVSFIWBJTSNMMN-UHFFFAOYSA-N 2 2 362.474 0.331 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000423018280 490520793 /nfs/dbraw/zinc/52/07/93/490520793.db2.gz QOSBEJIQAZVANU-KGLIPLIRSA-N 2 2 350.488 0.588 20 0 FCADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423020468 490521492 /nfs/dbraw/zinc/52/14/92/490521492.db2.gz BOXVQAABGXHXRU-UHFFFAOYSA-N 2 2 362.474 0.278 20 0 FCADLP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000423028791 490524635 /nfs/dbraw/zinc/52/46/35/490524635.db2.gz HDWFNEPZUYSBBS-UHFFFAOYSA-N 2 2 362.478 0.235 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000423048862 490530635 /nfs/dbraw/zinc/53/06/35/490530635.db2.gz JHGITOJSIFWABZ-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000423048862 490530639 /nfs/dbraw/zinc/53/06/39/490530639.db2.gz JHGITOJSIFWABZ-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000571877737 491334517 /nfs/dbraw/zinc/33/45/17/491334517.db2.gz GYCFHZUIZRVMEM-JKSUJKDBSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000571877737 491334519 /nfs/dbraw/zinc/33/45/19/491334519.db2.gz GYCFHZUIZRVMEM-JKSUJKDBSA-N 2 2 374.489 0.540 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500760843 490549755 /nfs/dbraw/zinc/54/97/55/490549755.db2.gz ACJHMXDDZMIHEX-GASCZTMLSA-N 2 2 368.522 0.591 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500760843 490549759 /nfs/dbraw/zinc/54/97/59/490549759.db2.gz ACJHMXDDZMIHEX-GASCZTMLSA-N 2 2 368.522 0.591 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3ccc(N)[nH+]c3)ccn2)CC1 ZINC000548984269 490557787 /nfs/dbraw/zinc/55/77/87/490557787.db2.gz SDBONJCHESXOSX-UHFFFAOYSA-N 2 2 369.429 0.768 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485785136 490558398 /nfs/dbraw/zinc/55/83/98/490558398.db2.gz LOASWBFCHCZZTJ-OAHLLOKOSA-N 2 2 374.489 0.161 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000485806605 490560248 /nfs/dbraw/zinc/56/02/48/490560248.db2.gz QBHWWDUJCVSNPE-AWEZNQCLSA-N 3 2 360.506 0.775 20 0 FCADLP O=C(NCCc1[nH]cc[nH+]1)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)nc1 ZINC000486260412 490601737 /nfs/dbraw/zinc/60/17/37/490601737.db2.gz PYTDGAANRXVHCE-UHFFFAOYSA-N 2 2 353.386 0.473 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426032 490622065 /nfs/dbraw/zinc/62/20/65/490622065.db2.gz DNHVQOYSCZIMAU-HZPDHXFCSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426032 490622075 /nfs/dbraw/zinc/62/20/75/490622075.db2.gz DNHVQOYSCZIMAU-HZPDHXFCSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426032 490622083 /nfs/dbraw/zinc/62/20/83/490622083.db2.gz DNHVQOYSCZIMAU-HZPDHXFCSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426032 490622090 /nfs/dbraw/zinc/62/20/90/490622090.db2.gz DNHVQOYSCZIMAU-HZPDHXFCSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426031 490622759 /nfs/dbraw/zinc/62/27/59/490622759.db2.gz DNHVQOYSCZIMAU-HOTGVXAUSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486426031 490622762 /nfs/dbraw/zinc/62/27/62/490622762.db2.gz DNHVQOYSCZIMAU-HOTGVXAUSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426031 490622769 /nfs/dbraw/zinc/62/27/69/490622769.db2.gz DNHVQOYSCZIMAU-HOTGVXAUSA-N 2 2 374.489 0.160 20 0 FCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486426031 490622775 /nfs/dbraw/zinc/62/27/75/490622775.db2.gz DNHVQOYSCZIMAU-HOTGVXAUSA-N 2 2 374.489 0.160 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000550082568 490623894 /nfs/dbraw/zinc/62/38/94/490623894.db2.gz OEASWJNGGUCZGU-UHFFFAOYSA-N 2 2 361.421 0.729 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486436248 490624842 /nfs/dbraw/zinc/62/48/42/490624842.db2.gz MKHRIUYMWBFAQU-JSGCOSHPSA-N 2 2 365.865 0.958 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486436248 490624846 /nfs/dbraw/zinc/62/48/46/490624846.db2.gz MKHRIUYMWBFAQU-JSGCOSHPSA-N 2 2 365.865 0.958 20 0 FCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486443407 490626749 /nfs/dbraw/zinc/62/67/49/490626749.db2.gz HAZIIIJBTCKQBK-HKUYNNGSSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486443407 490626754 /nfs/dbraw/zinc/62/67/54/490626754.db2.gz HAZIIIJBTCKQBK-HKUYNNGSSA-N 2 2 372.513 0.938 20 0 FCADLP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453116 490627634 /nfs/dbraw/zinc/62/76/34/490627634.db2.gz SJARVHIJRVFJKZ-LSDHHAIUSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453116 490627640 /nfs/dbraw/zinc/62/76/40/490627640.db2.gz SJARVHIJRVFJKZ-LSDHHAIUSA-N 2 2 360.458 0.918 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448874 490628089 /nfs/dbraw/zinc/62/80/89/490628089.db2.gz SJQGXUABRVJXMQ-ZBFHGGJFSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448874 490628098 /nfs/dbraw/zinc/62/80/98/490628098.db2.gz SJQGXUABRVJXMQ-ZBFHGGJFSA-N 2 2 362.449 0.727 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450673 490628480 /nfs/dbraw/zinc/62/84/80/490628480.db2.gz LKCAVUQQEQYMRH-RHSMWYFYSA-N 2 2 362.449 0.899 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1 ZINC000486450673 490628488 /nfs/dbraw/zinc/62/84/88/490628488.db2.gz LKCAVUQQEQYMRH-RHSMWYFYSA-N 2 2 362.449 0.899 20 0 FCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453329 490628649 /nfs/dbraw/zinc/62/86/49/490628649.db2.gz DXMMIQVDHDZUTH-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486453329 490628654 /nfs/dbraw/zinc/62/86/54/490628654.db2.gz DXMMIQVDHDZUTH-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1cc(F)cc(F)c1 ZINC000486453361 490628682 /nfs/dbraw/zinc/62/86/82/490628682.db2.gz FNDAJTMKLIJRRM-HNNXBMFYSA-N 2 2 352.385 0.800 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1cc(F)cc(F)c1 ZINC000486453361 490628686 /nfs/dbraw/zinc/62/86/86/490628686.db2.gz FNDAJTMKLIJRRM-HNNXBMFYSA-N 2 2 352.385 0.800 20 0 FCADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448408 490628892 /nfs/dbraw/zinc/62/88/92/490628892.db2.gz HLDIXRPFAJPQCP-RDJZCZTQSA-N 2 2 356.470 0.860 20 0 FCADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448408 490628894 /nfs/dbraw/zinc/62/88/94/490628894.db2.gz HLDIXRPFAJPQCP-RDJZCZTQSA-N 2 2 356.470 0.860 20 0 FCADLP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453114 490628910 /nfs/dbraw/zinc/62/89/10/490628910.db2.gz SJARVHIJRVFJKZ-GJZGRUSLSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453114 490628917 /nfs/dbraw/zinc/62/89/17/490628917.db2.gz SJARVHIJRVFJKZ-GJZGRUSLSA-N 2 2 360.458 0.918 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000486463557 490634704 /nfs/dbraw/zinc/63/47/04/490634704.db2.gz SZHFXXPKEZAYSH-IRXDYDNUSA-N 2 2 372.469 0.003 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000486463557 490634705 /nfs/dbraw/zinc/63/47/05/490634705.db2.gz SZHFXXPKEZAYSH-IRXDYDNUSA-N 2 2 372.469 0.003 20 0 FCADLP CN1CC[NH+]([C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000571996062 491341674 /nfs/dbraw/zinc/34/16/74/491341674.db2.gz KVAMRTNQYQLRKE-LSDHHAIUSA-N 2 2 352.504 0.531 20 0 FCADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468410 490635639 /nfs/dbraw/zinc/63/56/39/490635639.db2.gz KRTHLTGWCAGLLB-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486468410 490635641 /nfs/dbraw/zinc/63/56/41/490635641.db2.gz KRTHLTGWCAGLLB-NVXWUHKLSA-N 2 2 374.485 0.596 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000511911357 490637517 /nfs/dbraw/zinc/63/75/17/490637517.db2.gz SSVZSSNUDPDJNT-WBVHZDCISA-N 2 2 365.522 0.855 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000511911357 490637522 /nfs/dbraw/zinc/63/75/22/490637522.db2.gz SSVZSSNUDPDJNT-WBVHZDCISA-N 2 2 365.522 0.855 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471453 490637645 /nfs/dbraw/zinc/63/76/45/490637645.db2.gz RJHJJBMDBZWXLI-GOEBONIOSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486471453 490637649 /nfs/dbraw/zinc/63/76/49/490637649.db2.gz RJHJJBMDBZWXLI-GOEBONIOSA-N 2 2 360.458 0.918 20 0 FCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000537059021 490642283 /nfs/dbraw/zinc/64/22/83/490642283.db2.gz JQVVBKOMHKMVBZ-ZDUSSCGKSA-N 2 2 368.503 0.996 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1(n2cccn2)CC[NH2+]CC1 ZINC000572003221 491342522 /nfs/dbraw/zinc/34/25/22/491342522.db2.gz IWJSKIOEKKFWOY-UHFFFAOYSA-N 2 2 373.461 0.129 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277383 490651360 /nfs/dbraw/zinc/65/13/60/490651360.db2.gz NLUHVRTUVUALDT-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000550277383 490651365 /nfs/dbraw/zinc/65/13/65/490651365.db2.gz NLUHVRTUVUALDT-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000512018719 490651529 /nfs/dbraw/zinc/65/15/29/490651529.db2.gz PXDQBVGSZSUHCT-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000512018719 490651534 /nfs/dbraw/zinc/65/15/34/490651534.db2.gz PXDQBVGSZSUHCT-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000550279485 490653098 /nfs/dbraw/zinc/65/30/98/490653098.db2.gz NCPQIGNCALXGNM-QGZVFWFLSA-N 2 2 368.522 0.308 20 0 FCADLP CCN1CCOC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000537168378 490656056 /nfs/dbraw/zinc/65/60/56/490656056.db2.gz NCFQFKULCGTLOF-UJJTZGENSA-N 2 2 350.507 0.477 20 0 FCADLP CCN1CCOC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000537168378 490656061 /nfs/dbraw/zinc/65/60/61/490656061.db2.gz NCFQFKULCGTLOF-UJJTZGENSA-N 2 2 350.507 0.477 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000537168378 490656064 /nfs/dbraw/zinc/65/60/64/490656064.db2.gz NCFQFKULCGTLOF-UJJTZGENSA-N 2 2 350.507 0.477 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000537168378 490656071 /nfs/dbraw/zinc/65/60/71/490656071.db2.gz NCFQFKULCGTLOF-UJJTZGENSA-N 2 2 350.507 0.477 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000537168378 490656073 /nfs/dbraw/zinc/65/60/73/490656073.db2.gz NCFQFKULCGTLOF-UJJTZGENSA-N 2 2 350.507 0.477 20 0 FCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000537168378 490656082 /nfs/dbraw/zinc/65/60/82/490656082.db2.gz NCFQFKULCGTLOF-UJJTZGENSA-N 2 2 350.507 0.477 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CN1CC[NH+]1CCOCC1 ZINC000537193130 490660393 /nfs/dbraw/zinc/66/03/93/490660393.db2.gz QZZCZJLNRRIMCI-OAHLLOKOSA-N 2 2 360.449 0.239 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550360510 490664387 /nfs/dbraw/zinc/66/43/87/490664387.db2.gz VGUFWZQSSTYPJM-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000526019462 490666342 /nfs/dbraw/zinc/66/63/42/490666342.db2.gz SDPMMZNORXCYNH-UHFFFAOYSA-N 2 2 352.402 0.795 20 0 FCADLP CS[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1[NH+](C)C ZINC000537290184 490667124 /nfs/dbraw/zinc/66/71/24/490667124.db2.gz IIAUZKWEHRMMSX-IRXDYDNUSA-N 2 2 366.531 0.901 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550582312 490678284 /nfs/dbraw/zinc/67/82/84/490678284.db2.gz HFONNIWMIMBDID-IYBDPMFKSA-N 2 2 370.538 0.839 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550582312 490678287 /nfs/dbraw/zinc/67/82/87/490678287.db2.gz HFONNIWMIMBDID-IYBDPMFKSA-N 2 2 370.538 0.839 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550582312 490678291 /nfs/dbraw/zinc/67/82/91/490678291.db2.gz HFONNIWMIMBDID-IYBDPMFKSA-N 2 2 370.538 0.839 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550582312 490678296 /nfs/dbraw/zinc/67/82/96/490678296.db2.gz HFONNIWMIMBDID-IYBDPMFKSA-N 2 2 370.538 0.839 20 0 FCADLP CN(C)C(=O)Cn1ccc2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc21 ZINC000556974936 491345695 /nfs/dbraw/zinc/34/56/95/491345695.db2.gz RZUQDGYHZKZDLJ-MRXNPFEDSA-N 2 2 372.473 0.836 20 0 FCADLP CN(C)C(=O)Cn1ccc2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc21 ZINC000556974936 491345696 /nfs/dbraw/zinc/34/56/96/491345696.db2.gz RZUQDGYHZKZDLJ-MRXNPFEDSA-N 2 2 372.473 0.836 20 0 FCADLP COc1ccc(CN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000572059083 491346020 /nfs/dbraw/zinc/34/60/20/491346020.db2.gz KFXZCQNETFHOFN-AEFFLSMTSA-N 2 2 372.469 0.430 20 0 FCADLP COc1ccc(CN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C2CC2)cc1 ZINC000572059083 491346022 /nfs/dbraw/zinc/34/60/22/491346022.db2.gz KFXZCQNETFHOFN-AEFFLSMTSA-N 2 2 372.469 0.430 20 0 FCADLP O=C(Cc1sccc1C(=O)NCC[NH+]1CCC1)NCC[NH+]1CCC1 ZINC000487294484 490703474 /nfs/dbraw/zinc/70/34/74/490703474.db2.gz UDKUGBGSBBBGFO-UHFFFAOYSA-N 2 2 350.488 0.548 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C[C@H](O)C[NH3+] ZINC000565047301 491348164 /nfs/dbraw/zinc/34/81/64/491348164.db2.gz PCNOAYGWILXRBK-OAHLLOKOSA-N 2 2 374.407 0.605 20 0 FCADLP C[N@H+](CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C[C@H](O)C[NH3+] ZINC000565047301 491348165 /nfs/dbraw/zinc/34/81/65/491348165.db2.gz PCNOAYGWILXRBK-OAHLLOKOSA-N 2 2 374.407 0.605 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305414 490716145 /nfs/dbraw/zinc/71/61/45/490716145.db2.gz DNQSWPRWCCPUFU-NSHGMRRFSA-N 2 2 370.497 0.917 20 0 FCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000527305414 490716147 /nfs/dbraw/zinc/71/61/47/490716147.db2.gz DNQSWPRWCCPUFU-NSHGMRRFSA-N 2 2 370.497 0.917 20 0 FCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000513340480 490724121 /nfs/dbraw/zinc/72/41/21/490724121.db2.gz KKHQZOBWLWYYCM-OAHLLOKOSA-N 2 2 370.538 0.791 20 0 FCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000513340480 490724124 /nfs/dbraw/zinc/72/41/24/490724124.db2.gz KKHQZOBWLWYYCM-OAHLLOKOSA-N 2 2 370.538 0.791 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(c3cc[nH+]c(N(C)C)n3)CC1)CC2 ZINC000565069234 491350311 /nfs/dbraw/zinc/35/03/11/491350311.db2.gz GLUKKUMZPYKEEF-OAHLLOKOSA-N 2 2 369.473 0.959 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H](C[NH+]3CCOCC3)C1)n2C ZINC000538685140 490745096 /nfs/dbraw/zinc/74/50/96/490745096.db2.gz PQXQHXJLXKPRJY-CQSZACIVSA-N 2 2 372.473 0.829 20 0 FCADLP O=S(=O)(c1ccc(C2=CC[NH2+]CC2)cc1)N1CC[NH+](CCO)CC1 ZINC000527586298 490747931 /nfs/dbraw/zinc/74/79/31/490747931.db2.gz DFDVMCHSVXWLFK-UHFFFAOYSA-N 2 2 351.472 0.362 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184784 490750462 /nfs/dbraw/zinc/75/04/62/490750462.db2.gz JMECPDQCQAAVLD-MSOLQXFVSA-N 2 2 368.522 0.896 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCOCC1 ZINC000488184784 490750465 /nfs/dbraw/zinc/75/04/65/490750465.db2.gz JMECPDQCQAAVLD-MSOLQXFVSA-N 2 2 368.522 0.896 20 0 FCADLP C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000527769242 490758330 /nfs/dbraw/zinc/75/83/30/490758330.db2.gz YTHSCKNRLUGTRE-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP Cn1cc(C[NH+]2CCN(Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)cn1 ZINC000514099269 490761873 /nfs/dbraw/zinc/76/18/73/490761873.db2.gz MTMWPOJIKXFXDP-UHFFFAOYSA-N 2 2 370.505 0.280 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000539320704 490776342 /nfs/dbraw/zinc/77/63/42/490776342.db2.gz WEENUPTYXQZOFG-HOTGVXAUSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000565123492 491354860 /nfs/dbraw/zinc/35/48/60/491354860.db2.gz VSEVVHOIZLMYKK-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H](CCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000565123492 491354865 /nfs/dbraw/zinc/35/48/65/491354865.db2.gz VSEVVHOIZLMYKK-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000514726069 490784413 /nfs/dbraw/zinc/78/44/13/490784413.db2.gz UNKGYBKTWSAOQN-SFHVURJKSA-N 2 2 373.501 0.631 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000514741483 490786079 /nfs/dbraw/zinc/78/60/79/490786079.db2.gz PDVLGXQJGLELSU-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cccc(F)c1 ZINC000557135629 491355887 /nfs/dbraw/zinc/35/58/87/491355887.db2.gz KICXKFAMRCYWKX-CVEARBPZSA-N 2 2 360.437 0.851 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC1CC1 ZINC000557135042 491356020 /nfs/dbraw/zinc/35/60/20/491356020.db2.gz GXPUFIOHNJIHDK-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC1CC1 ZINC000557135042 491356021 /nfs/dbraw/zinc/35/60/21/491356021.db2.gz GXPUFIOHNJIHDK-UHFFFAOYSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930505 490798056 /nfs/dbraw/zinc/79/80/56/490798056.db2.gz MDYWAIXHYCINGE-VQIMIIECSA-N 3 2 360.502 0.931 20 0 FCADLP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514930505 490798058 /nfs/dbraw/zinc/79/80/58/490798058.db2.gz MDYWAIXHYCINGE-VQIMIIECSA-N 2 2 360.502 0.931 20 0 FCADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000557152812 491356660 /nfs/dbraw/zinc/35/66/60/491356660.db2.gz MVSGVVCEFAYFLC-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000557152812 491356663 /nfs/dbraw/zinc/35/66/63/491356663.db2.gz MVSGVVCEFAYFLC-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000557152812 491356665 /nfs/dbraw/zinc/35/66/65/491356665.db2.gz MVSGVVCEFAYFLC-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000557152812 491356667 /nfs/dbraw/zinc/35/66/67/491356667.db2.gz MVSGVVCEFAYFLC-DLBZAZTESA-N 2 2 368.522 0.594 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154453 491356969 /nfs/dbraw/zinc/35/69/69/491356969.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 3 2 359.518 0.835 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154453 491356971 /nfs/dbraw/zinc/35/69/71/491356971.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154453 491356973 /nfs/dbraw/zinc/35/69/73/491356973.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154453 491356974 /nfs/dbraw/zinc/35/69/74/491356974.db2.gz KNFZCQGINFDMGE-RTBURBONSA-N 3 2 359.518 0.835 20 0 FCADLP CNC(=O)NC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000528622078 490813963 /nfs/dbraw/zinc/81/39/63/490813963.db2.gz ORLPTIBAXUDUFN-SFHVURJKSA-N 2 2 362.474 0.649 20 0 FCADLP CNC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000528622078 490813965 /nfs/dbraw/zinc/81/39/65/490813965.db2.gz ORLPTIBAXUDUFN-SFHVURJKSA-N 2 2 362.474 0.649 20 0 FCADLP O=C(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000515233082 490814229 /nfs/dbraw/zinc/81/42/29/490814229.db2.gz JGXCVNYSTKMYBL-WBVHZDCISA-N 2 2 371.485 0.746 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)[C@@H](C[NH3+])C1 ZINC000515402526 490824384 /nfs/dbraw/zinc/82/43/84/490824384.db2.gz XMCUTYUVHBVLBZ-JTQLQIEISA-N 2 2 361.372 0.192 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)[C@@H](C[NH3+])C1 ZINC000515402526 490824385 /nfs/dbraw/zinc/82/43/85/490824385.db2.gz XMCUTYUVHBVLBZ-JTQLQIEISA-N 2 2 361.372 0.192 20 0 FCADLP COC[C@](C)(CNC(=O)[C@@H](C)[NH+]1CC(C)C1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000565186554 491358538 /nfs/dbraw/zinc/35/85/38/491358538.db2.gz XESYTXMHVJQBSD-MDZRGWNJSA-N 2 2 368.522 0.304 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000505579483 490833743 /nfs/dbraw/zinc/83/37/43/490833743.db2.gz ROXYAYCMIIJEIO-QGZVFWFLSA-N 2 2 372.535 0.216 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)CC(C)C ZINC000505825552 490841440 /nfs/dbraw/zinc/84/14/40/490841440.db2.gz PIHLXCVKAIUFNB-MRXNPFEDSA-N 2 2 361.552 0.932 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)CC(C)C ZINC000505825552 490841443 /nfs/dbraw/zinc/84/14/43/490841443.db2.gz PIHLXCVKAIUFNB-MRXNPFEDSA-N 2 2 361.552 0.932 20 0 FCADLP CCc1cc(N2CCC[C@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)ncn1 ZINC000515811114 490839224 /nfs/dbraw/zinc/83/92/24/490839224.db2.gz RHPFSHXPASCNNX-JKSUJKDBSA-N 2 2 361.494 0.292 20 0 FCADLP CCc1cc(N2CCC[C@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)ncn1 ZINC000515811114 490839226 /nfs/dbraw/zinc/83/92/26/490839226.db2.gz RHPFSHXPASCNNX-JKSUJKDBSA-N 2 2 361.494 0.292 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572302123 491361281 /nfs/dbraw/zinc/36/12/81/491361281.db2.gz ZNTDKPRBXZDXOE-UHFFFAOYSA-N 2 2 354.418 0.908 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@@H](CO)c1cccc(F)c1)[NH+]1CCOCC1 ZINC000541026046 490846433 /nfs/dbraw/zinc/84/64/33/490846433.db2.gz RCXHNSJDUMHDNB-INIZCTEOSA-N 2 2 353.438 0.676 20 0 FCADLP COc1ccc([C@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000529284469 490847483 /nfs/dbraw/zinc/84/74/83/490847483.db2.gz OLGLOAKXUGJFDO-HOCLYGCPSA-N 2 2 359.430 0.806 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529305067 490848875 /nfs/dbraw/zinc/84/88/75/490848875.db2.gz HMOSJXKEGLNLQM-AEFFLSMTSA-N 2 2 367.538 0.422 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH2+]C[C@@H]2C(C)C)([NH+]2CCOCC2)C1 ZINC000529321402 490851503 /nfs/dbraw/zinc/85/15/03/490851503.db2.gz IAZRJKZOJSOIQQ-TVRKMHQQSA-N 2 2 368.522 0.896 20 0 FCADLP CC[N@H+](CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000541182957 490854116 /nfs/dbraw/zinc/85/41/16/490854116.db2.gz GTYSBTLCGFIBQN-HNNXBMFYSA-N 2 2 364.494 0.941 20 0 FCADLP CC[N@@H+](CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000541182957 490854119 /nfs/dbraw/zinc/85/41/19/490854119.db2.gz GTYSBTLCGFIBQN-HNNXBMFYSA-N 2 2 364.494 0.941 20 0 FCADLP C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529357460 490856222 /nfs/dbraw/zinc/85/62/22/490856222.db2.gz RBFYGMOWJBVICR-KBPBESRZSA-N 2 2 359.478 0.559 20 0 FCADLP C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529357460 490856224 /nfs/dbraw/zinc/85/62/24/490856224.db2.gz RBFYGMOWJBVICR-KBPBESRZSA-N 2 2 359.478 0.559 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529364055 490856665 /nfs/dbraw/zinc/85/66/65/490856665.db2.gz XGUBCTZBGYWXNL-HNNXBMFYSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000541548487 490865884 /nfs/dbraw/zinc/86/58/84/490865884.db2.gz LPQROXZLPYLBIU-JKSUJKDBSA-N 2 2 368.503 0.691 20 0 FCADLP CCOC[C@H](O)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000516563516 490868718 /nfs/dbraw/zinc/86/87/18/490868718.db2.gz JXEXEAIPQFCFNZ-JKSUJKDBSA-N 2 2 365.478 0.269 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000516651301 490873003 /nfs/dbraw/zinc/87/30/03/490873003.db2.gz YFISASWLPOHYLK-LLVKDONJSA-N 2 2 359.257 0.825 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000516651301 490873004 /nfs/dbraw/zinc/87/30/04/490873004.db2.gz YFISASWLPOHYLK-LLVKDONJSA-N 2 2 359.257 0.825 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000542155645 490888048 /nfs/dbraw/zinc/88/80/48/490888048.db2.gz JDLONYTZLBBQOU-RDJZCZTQSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000542155645 490888049 /nfs/dbraw/zinc/88/80/49/490888049.db2.gz JDLONYTZLBBQOU-RDJZCZTQSA-N 2 2 369.506 0.877 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000517089686 490895067 /nfs/dbraw/zinc/89/50/67/490895067.db2.gz ARRMWKKGJYXAQH-AWEZNQCLSA-N 2 2 358.446 0.721 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000517089686 490895069 /nfs/dbraw/zinc/89/50/69/490895069.db2.gz ARRMWKKGJYXAQH-AWEZNQCLSA-N 2 2 358.446 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000517140572 490896339 /nfs/dbraw/zinc/89/63/39/490896339.db2.gz RVWCQURUWQCUKW-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000517140572 490896341 /nfs/dbraw/zinc/89/63/41/490896341.db2.gz RVWCQURUWQCUKW-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000557217647 491360633 /nfs/dbraw/zinc/36/06/33/491360633.db2.gz SBRYPDPZSMRNFJ-UHFFFAOYSA-N 2 2 358.442 0.379 20 0 FCADLP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000557217647 491360636 /nfs/dbraw/zinc/36/06/36/491360636.db2.gz SBRYPDPZSMRNFJ-UHFFFAOYSA-N 2 2 358.442 0.379 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000557265321 491363761 /nfs/dbraw/zinc/36/37/61/491363761.db2.gz ZAWTXIIOYNVEEP-UAGQMJEPSA-N 2 2 366.506 0.332 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000557265322 491363840 /nfs/dbraw/zinc/36/38/40/491363840.db2.gz ZAWTXIIOYNVEEP-USXIJHARSA-N 2 2 366.506 0.332 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000543108080 490922344 /nfs/dbraw/zinc/92/23/44/490922344.db2.gz FOPQXMFSKKYRTG-HNNXBMFYSA-N 2 2 351.451 0.122 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000517892089 490923864 /nfs/dbraw/zinc/92/38/64/490923864.db2.gz BORNHZHDXAJUKD-UHFFFAOYSA-N 2 2 374.485 0.840 20 0 FCADLP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000517930506 490924988 /nfs/dbraw/zinc/92/49/88/490924988.db2.gz VRWKYDRZCACZBZ-QGZVFWFLSA-N 2 2 354.458 0.988 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000517993710 490927570 /nfs/dbraw/zinc/92/75/70/490927570.db2.gz CVZYKGBSPDAJRB-UHFFFAOYSA-N 2 2 350.438 0.538 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000517993710 490927572 /nfs/dbraw/zinc/92/75/72/490927572.db2.gz CVZYKGBSPDAJRB-UHFFFAOYSA-N 2 2 350.438 0.538 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543614863 490938453 /nfs/dbraw/zinc/93/84/53/490938453.db2.gz YZHYWTTYVOFXAC-CQSZACIVSA-N 2 2 371.445 0.876 20 0 FCADLP Cc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189493 490945300 /nfs/dbraw/zinc/94/53/00/490945300.db2.gz GELNSVSYPGLTFI-MRXNPFEDSA-N 2 2 363.510 0.826 20 0 FCADLP Cc1cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000531189493 490945301 /nfs/dbraw/zinc/94/53/01/490945301.db2.gz GELNSVSYPGLTFI-MRXNPFEDSA-N 2 2 363.510 0.826 20 0 FCADLP CC(=O)N1CC[C@](C)(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000531324166 490952129 /nfs/dbraw/zinc/95/21/29/490952129.db2.gz MTYQIOVTWUUQHT-IBGZPJMESA-N 2 2 350.507 0.920 20 0 FCADLP O=C(C[N@H+]1CCSC[C@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000544131713 490958470 /nfs/dbraw/zinc/95/84/70/490958470.db2.gz YVLOUWLOUVMCNU-QGZVFWFLSA-N 2 2 365.499 0.867 20 0 FCADLP O=C(C[N@@H+]1CCSC[C@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000544131713 490958472 /nfs/dbraw/zinc/95/84/72/490958472.db2.gz YVLOUWLOUVMCNU-QGZVFWFLSA-N 2 2 365.499 0.867 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000519018753 490959388 /nfs/dbraw/zinc/95/93/88/490959388.db2.gz YDJMQQLRXULVQF-INIZCTEOSA-N 2 2 363.510 0.628 20 0 FCADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000519223086 490965725 /nfs/dbraw/zinc/96/57/25/490965725.db2.gz RAFHIWULNAHOGI-GDBMZVCRSA-N 2 2 359.536 0.732 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000519372691 490969888 /nfs/dbraw/zinc/96/98/88/490969888.db2.gz MNHFZWGUSPCGHE-UHFFFAOYSA-N 2 2 367.538 0.914 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572396913 491367486 /nfs/dbraw/zinc/36/74/86/491367486.db2.gz YPRSXEIRKXUPCS-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572396913 491367489 /nfs/dbraw/zinc/36/74/89/491367489.db2.gz YPRSXEIRKXUPCS-QZTJIDSGSA-N 2 2 374.485 0.262 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531705807 490971273 /nfs/dbraw/zinc/97/12/73/490971273.db2.gz ZOAJMUMXHSCXMF-QGZVFWFLSA-N 2 2 360.506 0.978 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531705807 490971275 /nfs/dbraw/zinc/97/12/75/490971275.db2.gz ZOAJMUMXHSCXMF-QGZVFWFLSA-N 2 2 360.506 0.978 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000531811128 490974830 /nfs/dbraw/zinc/97/48/30/490974830.db2.gz HVLARGGDHDAFCG-DOTOQJQBSA-N 2 2 365.522 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000531811128 490974833 /nfs/dbraw/zinc/97/48/33/490974833.db2.gz HVLARGGDHDAFCG-DOTOQJQBSA-N 2 2 365.522 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000531811129 490974848 /nfs/dbraw/zinc/97/48/48/490974848.db2.gz HVLARGGDHDAFCG-NVXWUHKLSA-N 2 2 365.522 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000531811129 490974851 /nfs/dbraw/zinc/97/48/51/490974851.db2.gz HVLARGGDHDAFCG-NVXWUHKLSA-N 2 2 365.522 0.665 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000565290437 491367666 /nfs/dbraw/zinc/36/76/66/491367666.db2.gz ULPQTCVFMQTNPP-XMTFNYHQSA-N 2 2 366.506 0.792 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000565290437 491367668 /nfs/dbraw/zinc/36/76/68/491367668.db2.gz ULPQTCVFMQTNPP-XMTFNYHQSA-N 2 2 366.506 0.792 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000519628795 490980335 /nfs/dbraw/zinc/98/03/35/490980335.db2.gz DVMOHVSHKVJOMQ-IJEWVQPXSA-N 2 2 369.473 0.790 20 0 FCADLP [NH3+]C1(c2noc([C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)CCCCC1 ZINC000519639671 490981063 /nfs/dbraw/zinc/98/10/63/490981063.db2.gz BCZLLMOWRSCERN-CQSZACIVSA-N 2 2 363.462 0.836 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1C ZINC000532171995 490989257 /nfs/dbraw/zinc/98/92/57/490989257.db2.gz YUDCGADPMHKJQR-HOTGVXAUSA-N 2 2 364.494 0.929 20 0 FCADLP CN(C(=O)[C@]12CCC(=O)N1CCS2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479290 491926258 /nfs/dbraw/zinc/92/62/58/491926258.db2.gz UMAVNXNAUSOGDL-CRAIPNDOSA-N 2 2 366.531 0.679 20 0 FCADLP CN(C(=O)[C@]12CCC(=O)N1CCS2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479290 491926260 /nfs/dbraw/zinc/92/62/60/491926260.db2.gz UMAVNXNAUSOGDL-CRAIPNDOSA-N 2 2 366.531 0.679 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000562418242 491164828 /nfs/dbraw/zinc/16/48/28/491164828.db2.gz VUUHTRYBUYIHMG-UHFFFAOYSA-N 2 2 353.511 0.178 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000562442362 491166024 /nfs/dbraw/zinc/16/60/24/491166024.db2.gz PUGCEZOGPBWIFA-LNLFQRSKSA-N 3 2 357.539 0.747 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000562442362 491166027 /nfs/dbraw/zinc/16/60/27/491166027.db2.gz PUGCEZOGPBWIFA-LNLFQRSKSA-N 3 2 357.539 0.747 20 0 FCADLP CN1C(=O)C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000683145383 493335124 /nfs/dbraw/zinc/33/51/24/493335124.db2.gz SUXPUZKXOZQIQX-QAPCUYQASA-N 2 2 366.412 0.600 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000668348048 493335263 /nfs/dbraw/zinc/33/52/63/493335263.db2.gz LEGAGPLUGZZDQU-QZTJIDSGSA-N 2 2 374.485 0.339 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000569584996 491171194 /nfs/dbraw/zinc/17/11/94/491171194.db2.gz OGSYYYYGOZUDTQ-FUHWJXTLSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000569584996 491171197 /nfs/dbraw/zinc/17/11/97/491171197.db2.gz OGSYYYYGOZUDTQ-FUHWJXTLSA-N 2 2 354.454 0.981 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554061190 491174114 /nfs/dbraw/zinc/17/41/14/491174114.db2.gz IQQIHAVAJQBVKY-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000569641607 491177386 /nfs/dbraw/zinc/17/73/86/491177386.db2.gz SRBZMEGLEDSALE-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569641607 491177390 /nfs/dbraw/zinc/17/73/90/491177390.db2.gz SRBZMEGLEDSALE-WMZOPIPTSA-N 2 2 358.486 0.930 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000557379577 491371005 /nfs/dbraw/zinc/37/10/05/491371005.db2.gz JZDCYBYVTMVXJZ-HNNXBMFYSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000557379577 491371006 /nfs/dbraw/zinc/37/10/06/491371006.db2.gz JZDCYBYVTMVXJZ-HNNXBMFYSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000557379577 491371009 /nfs/dbraw/zinc/37/10/09/491371009.db2.gz JZDCYBYVTMVXJZ-HNNXBMFYSA-N 2 2 356.511 0.402 20 0 FCADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000557379577 491371012 /nfs/dbraw/zinc/37/10/12/491371012.db2.gz JZDCYBYVTMVXJZ-HNNXBMFYSA-N 2 2 356.511 0.402 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)CC1 ZINC000565415922 491375008 /nfs/dbraw/zinc/37/50/08/491375008.db2.gz PDRISPNSVOFLGW-JKSUJKDBSA-N 2 2 365.522 0.842 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)CC1 ZINC000565415922 491375011 /nfs/dbraw/zinc/37/50/11/491375011.db2.gz PDRISPNSVOFLGW-JKSUJKDBSA-N 2 2 365.522 0.842 20 0 FCADLP [NH3+]C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCCO1 ZINC000572606610 491380943 /nfs/dbraw/zinc/38/09/43/491380943.db2.gz ZTXLORKWYOVWKN-CQSZACIVSA-N 2 2 353.492 0.727 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572663155 491385365 /nfs/dbraw/zinc/38/53/65/491385365.db2.gz HCXCFULKXMEPCQ-RDJZCZTQSA-N 2 2 360.458 0.158 20 0 FCADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572663155 491385366 /nfs/dbraw/zinc/38/53/66/491385366.db2.gz HCXCFULKXMEPCQ-RDJZCZTQSA-N 2 2 360.458 0.158 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000557706589 491392896 /nfs/dbraw/zinc/39/28/96/491392896.db2.gz LBMPZYZESHTCKV-NCOADZHNSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000557706589 491392898 /nfs/dbraw/zinc/39/28/98/491392898.db2.gz LBMPZYZESHTCKV-NCOADZHNSA-N 2 2 368.522 0.543 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000565822983 491401306 /nfs/dbraw/zinc/40/13/06/491401306.db2.gz HZTSOEJSSBLIIT-OKZBNKHCSA-N 2 2 362.474 0.077 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000668365132 493340806 /nfs/dbraw/zinc/34/08/06/493340806.db2.gz CBRPVDJYCUFACY-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)C[C@@H]21 ZINC000565993235 491410981 /nfs/dbraw/zinc/41/09/81/491410981.db2.gz KVDIEDWCGCPRBF-SJORKVTESA-N 2 2 363.506 0.276 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCN(C(=O)C4CCC4)CC3)C[C@@H]21 ZINC000565993235 491410985 /nfs/dbraw/zinc/41/09/85/491410985.db2.gz KVDIEDWCGCPRBF-SJORKVTESA-N 2 2 363.506 0.276 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660297789 493340972 /nfs/dbraw/zinc/34/09/72/493340972.db2.gz QEEVMPPUJQBEQQ-IRXDYDNUSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000558089128 491412968 /nfs/dbraw/zinc/41/29/68/491412968.db2.gz WCXWMEPDGJVCLP-CQSZACIVSA-N 2 2 364.494 0.082 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000558089128 491412970 /nfs/dbraw/zinc/41/29/70/491412970.db2.gz WCXWMEPDGJVCLP-CQSZACIVSA-N 2 2 364.494 0.082 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CC2)cc[nH+]1 ZINC000573212594 491419838 /nfs/dbraw/zinc/41/98/38/491419838.db2.gz VVORRMOXJKBRIJ-UHFFFAOYSA-N 2 2 372.473 0.130 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000566200668 491425096 /nfs/dbraw/zinc/42/50/96/491425096.db2.gz WFUFSWBIAWNZTH-CYBMUJFWSA-N 2 2 373.238 0.935 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(I)c2)[C@H](C[NH3+])C1 ZINC000566200668 491425095 /nfs/dbraw/zinc/42/50/95/491425095.db2.gz WFUFSWBIAWNZTH-CYBMUJFWSA-N 2 2 373.238 0.935 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573322818 491426130 /nfs/dbraw/zinc/42/61/30/491426130.db2.gz DCKQEBPPYVXTCE-QAPCUYQASA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573322818 491426133 /nfs/dbraw/zinc/42/61/33/491426133.db2.gz DCKQEBPPYVXTCE-QAPCUYQASA-N 2 2 354.495 0.188 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000558405228 491429041 /nfs/dbraw/zinc/42/90/41/491429041.db2.gz XCEZNKQYWPVMOR-MRXNPFEDSA-N 2 2 360.462 0.614 20 0 FCADLP CN(C(=O)[C@@H]1CCC(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000566268734 491431913 /nfs/dbraw/zinc/43/19/13/491431913.db2.gz IDHDWONQTXFSJC-OAHLLOKOSA-N 2 2 364.490 0.052 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000573437967 491433512 /nfs/dbraw/zinc/43/35/12/491433512.db2.gz STNGVCNXTRQFIJ-AWEZNQCLSA-N 2 2 371.478 0.776 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000573437967 491433513 /nfs/dbraw/zinc/43/35/13/491433513.db2.gz STNGVCNXTRQFIJ-AWEZNQCLSA-N 2 2 371.478 0.776 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000566406405 491441868 /nfs/dbraw/zinc/44/18/68/491441868.db2.gz NXLPEZNUBFNRRD-DLBZAZTESA-N 2 2 372.425 0.202 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000660331247 493343158 /nfs/dbraw/zinc/34/31/58/493343158.db2.gz ZHTBSYQZHBOEHD-SFHVURJKSA-N 2 2 373.501 0.771 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000660331247 493343160 /nfs/dbraw/zinc/34/31/60/493343160.db2.gz ZHTBSYQZHBOEHD-SFHVURJKSA-N 2 2 373.501 0.771 20 0 FCADLP O=C(CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)NCC[NH+]1CCOCC1 ZINC000558828671 491446590 /nfs/dbraw/zinc/44/65/90/491446590.db2.gz IJLGFLCHKZXARP-UHFFFAOYSA-N 2 2 374.485 0.461 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)C1 ZINC000573673009 491447390 /nfs/dbraw/zinc/44/73/90/491447390.db2.gz XVYWQWJYDVXSOZ-ZIFCJYIRSA-N 2 2 366.550 0.564 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)C1 ZINC000573673009 491447392 /nfs/dbraw/zinc/44/73/92/491447392.db2.gz XVYWQWJYDVXSOZ-ZIFCJYIRSA-N 2 2 366.550 0.564 20 0 FCADLP Cc1cc(N2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)nc(C(C)C)[nH+]1 ZINC000573679254 491447412 /nfs/dbraw/zinc/44/74/12/491447412.db2.gz JNVYKVAJKDVCCJ-UHFFFAOYSA-N 2 2 372.477 0.811 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707029 491449755 /nfs/dbraw/zinc/44/97/55/491449755.db2.gz DNUCXXLTJRBREI-WMLDXEAASA-N 2 2 368.503 0.487 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707029 491449756 /nfs/dbraw/zinc/44/97/56/491449756.db2.gz DNUCXXLTJRBREI-WMLDXEAASA-N 2 2 368.503 0.487 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000566569514 491454049 /nfs/dbraw/zinc/45/40/49/491454049.db2.gz VPGJSUBKGSXIJM-NRFANRHFSA-N 2 2 370.497 0.994 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000566569514 491454050 /nfs/dbraw/zinc/45/40/50/491454050.db2.gz VPGJSUBKGSXIJM-NRFANRHFSA-N 2 2 370.497 0.994 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573786084 491454620 /nfs/dbraw/zinc/45/46/20/491454620.db2.gz WXSHXXHISPAJDF-HLLBOEOZSA-N 2 2 354.520 0.445 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000566667888 491459149 /nfs/dbraw/zinc/45/91/49/491459149.db2.gz RVJLWORMUKDVOC-LSDHHAIUSA-N 2 2 367.519 0.406 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000566667888 491459150 /nfs/dbraw/zinc/45/91/50/491459150.db2.gz RVJLWORMUKDVOC-LSDHHAIUSA-N 2 2 367.519 0.406 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000566667887 491459182 /nfs/dbraw/zinc/45/91/82/491459182.db2.gz RVJLWORMUKDVOC-HUUCEWRRSA-N 2 2 367.519 0.406 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000566667887 491459183 /nfs/dbraw/zinc/45/91/83/491459183.db2.gz RVJLWORMUKDVOC-HUUCEWRRSA-N 2 2 367.519 0.406 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566692046 491461197 /nfs/dbraw/zinc/46/11/97/491461197.db2.gz OGXBHNPUQWITDI-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000566692046 491461200 /nfs/dbraw/zinc/46/12/00/491461200.db2.gz OGXBHNPUQWITDI-GASCZTMLSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000566751393 491464752 /nfs/dbraw/zinc/46/47/52/491464752.db2.gz JBGLUEOQAGLOHA-KRWDZBQOSA-N 2 2 371.485 0.995 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559376872 491468516 /nfs/dbraw/zinc/46/85/16/491468516.db2.gz AGSIJDAVVWDNDD-HNNXBMFYSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000559383527 491468724 /nfs/dbraw/zinc/46/87/24/491468724.db2.gz OTIKZDCJILHCEO-UHFFFAOYSA-N 2 2 356.511 0.260 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cn(C)nc3C)CC2)CC1 ZINC000574036524 491470397 /nfs/dbraw/zinc/47/03/97/491470397.db2.gz PPGMNQFXCBTEOX-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cn(C)nc3C)CC2)CC1 ZINC000574036524 491470398 /nfs/dbraw/zinc/47/03/98/491470398.db2.gz PPGMNQFXCBTEOX-UHFFFAOYSA-N 2 2 369.535 0.909 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)CC1=O ZINC000673550438 493344828 /nfs/dbraw/zinc/34/48/28/493344828.db2.gz NJFUEGOQACRZFE-MRXNPFEDSA-N 2 2 373.457 0.172 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)CC1=O ZINC000673550438 493344830 /nfs/dbraw/zinc/34/48/30/493344830.db2.gz NJFUEGOQACRZFE-MRXNPFEDSA-N 2 2 373.457 0.172 20 0 FCADLP Cc1cnc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000566950432 491476788 /nfs/dbraw/zinc/47/67/88/491476788.db2.gz ARWRALIKAFZLLV-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000559505626 491478554 /nfs/dbraw/zinc/47/85/54/491478554.db2.gz ABHZUTXSUJSNKQ-RRFJBIMHSA-N 2 2 368.522 0.589 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000559505626 491478555 /nfs/dbraw/zinc/47/85/55/491478555.db2.gz ABHZUTXSUJSNKQ-RRFJBIMHSA-N 2 2 368.522 0.589 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000559529412 491479242 /nfs/dbraw/zinc/47/92/42/491479242.db2.gz XWHDXXLGWGAMPI-MRXNPFEDSA-N 2 2 355.442 0.836 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000559529412 491479245 /nfs/dbraw/zinc/47/92/45/491479245.db2.gz XWHDXXLGWGAMPI-MRXNPFEDSA-N 2 2 355.442 0.836 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000559550967 491480354 /nfs/dbraw/zinc/48/03/54/491480354.db2.gz BYPJAEUSTRRMGF-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000559550967 491480355 /nfs/dbraw/zinc/48/03/55/491480355.db2.gz BYPJAEUSTRRMGF-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559596498 491484321 /nfs/dbraw/zinc/48/43/21/491484321.db2.gz BZLBFCQHMANLBC-HNNXBMFYSA-N 2 2 357.458 0.651 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000559596498 491484322 /nfs/dbraw/zinc/48/43/22/491484322.db2.gz BZLBFCQHMANLBC-HNNXBMFYSA-N 2 2 357.458 0.651 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000559636012 491488279 /nfs/dbraw/zinc/48/82/79/491488279.db2.gz DTZDXSQJIIEPEW-ZBFHGGJFSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000567223025 491492988 /nfs/dbraw/zinc/49/29/88/491492988.db2.gz SFVBUIZEVMBDEP-WBTNSWJXSA-N 2 2 363.506 0.369 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000559746103 491495599 /nfs/dbraw/zinc/49/55/99/491495599.db2.gz CEDDDIKOLMGEKJ-UHFFFAOYSA-N 2 2 373.501 0.887 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000567278352 491496763 /nfs/dbraw/zinc/49/67/63/491496763.db2.gz PMESKGMOJFONNG-NUEKZKHPSA-N 2 2 374.489 0.214 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000567278352 491496765 /nfs/dbraw/zinc/49/67/65/491496765.db2.gz PMESKGMOJFONNG-NUEKZKHPSA-N 2 2 374.489 0.214 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766775 491498039 /nfs/dbraw/zinc/49/80/39/491498039.db2.gz KUCICUZFVUMMRJ-YOEHRIQHSA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766775 491498042 /nfs/dbraw/zinc/49/80/42/491498042.db2.gz KUCICUZFVUMMRJ-YOEHRIQHSA-N 2 2 352.504 0.547 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)ccn2)CC1 ZINC000567333543 491500114 /nfs/dbraw/zinc/50/01/14/491500114.db2.gz FBKZUPSLQPBDOS-INIZCTEOSA-N 2 2 372.473 0.827 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499029 491500906 /nfs/dbraw/zinc/50/09/06/491500906.db2.gz VPWIDOYIAOHUGO-HOCLYGCPSA-N 2 2 357.458 0.701 20 0 FCADLP O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCn2cc[nH+]c2C1 ZINC000574499029 491500908 /nfs/dbraw/zinc/50/09/08/491500908.db2.gz VPWIDOYIAOHUGO-HOCLYGCPSA-N 2 2 357.458 0.701 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)c3ccn(CC[NH+](C)C)n3)c[nH+]2)CCO1 ZINC000567403375 491504525 /nfs/dbraw/zinc/50/45/25/491504525.db2.gz NCBDVGHLONSKME-HNNXBMFYSA-N 2 2 372.473 0.995 20 0 FCADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C2CC2)cc1 ZINC000567487721 491508882 /nfs/dbraw/zinc/50/88/82/491508882.db2.gz XYVRHXAIXWRTDE-SCTDSRPQSA-N 2 2 356.470 0.806 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)c1 ZINC000574630002 491509669 /nfs/dbraw/zinc/50/96/69/491509669.db2.gz NCSHWJJJZFEPDC-GBESFXJTSA-N 2 2 370.497 0.835 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000574659001 491511569 /nfs/dbraw/zinc/51/15/69/491511569.db2.gz NRMRUEVLHQLMFX-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000574659001 491511570 /nfs/dbraw/zinc/51/15/70/491511570.db2.gz NRMRUEVLHQLMFX-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CCNc1nc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000567533617 491512424 /nfs/dbraw/zinc/51/24/24/491512424.db2.gz PMEGSYSFIWGLGF-OLZOCXBDSA-N 2 2 351.499 0.879 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571483 491514557 /nfs/dbraw/zinc/51/45/57/491514557.db2.gz HZPIFTFYZGJQFV-DLBZAZTESA-N 3 2 355.527 0.408 20 0 FCADLP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000567571483 491514558 /nfs/dbraw/zinc/51/45/58/491514558.db2.gz HZPIFTFYZGJQFV-DLBZAZTESA-N 3 2 355.527 0.408 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560024395 491516276 /nfs/dbraw/zinc/51/62/76/491516276.db2.gz UCWVMPWSJDKODQ-HZPDHXFCSA-N 2 2 359.474 0.921 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560024395 491516279 /nfs/dbraw/zinc/51/62/79/491516279.db2.gz UCWVMPWSJDKODQ-HZPDHXFCSA-N 2 2 359.474 0.921 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000567611048 491517949 /nfs/dbraw/zinc/51/79/49/491517949.db2.gz FBHGNOJHHXJCBW-CYBMUJFWSA-N 2 2 354.401 0.576 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000567611048 491517951 /nfs/dbraw/zinc/51/79/51/491517951.db2.gz FBHGNOJHHXJCBW-CYBMUJFWSA-N 2 2 354.401 0.576 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668398345 493347827 /nfs/dbraw/zinc/34/78/27/493347827.db2.gz BWRKTRUIODUJCH-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717591 491524868 /nfs/dbraw/zinc/52/48/68/491524868.db2.gz VGGHKRNGYBJUDI-STQMWFEESA-N 2 2 363.462 0.588 20 0 FCADLP CCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(=O)[nH]c1=O ZINC000567717591 491524870 /nfs/dbraw/zinc/52/48/70/491524870.db2.gz VGGHKRNGYBJUDI-STQMWFEESA-N 2 2 363.462 0.588 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)[C@@H](C)[NH+]1CCOCC1 ZINC000560309069 491530142 /nfs/dbraw/zinc/53/01/42/491530142.db2.gz RVVYNWXIEXZPRS-HUUCEWRRSA-N 2 2 351.451 0.005 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000574974438 491530794 /nfs/dbraw/zinc/53/07/94/491530794.db2.gz LEOYZWIGRHGUPI-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)cc2)[nH]1 ZINC000567835968 491533464 /nfs/dbraw/zinc/53/34/64/491533464.db2.gz UNOYXAPTZWJGJG-CYBMUJFWSA-N 2 2 357.418 0.127 20 0 FCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cc[nH+]c2)nn1 ZINC000567837736 491533707 /nfs/dbraw/zinc/53/37/07/491533707.db2.gz STXVTPQVYMGUOR-LBPRGKRZSA-N 2 2 369.351 0.228 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3c(F)cccc3F)C2)nn1 ZINC000575122257 491540643 /nfs/dbraw/zinc/54/06/43/491540643.db2.gz DVYYBNKEMBQKIG-ABAIWWIYSA-N 2 2 350.373 0.879 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000560562946 491544900 /nfs/dbraw/zinc/54/49/00/491544900.db2.gz BJGQJJRCJGNDSW-FPCVCCKLSA-N 2 2 356.511 0.303 20 0 FCADLP CC(CC[NH+]1CCSC[C@@H]1C(N)=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000560709761 491552830 /nfs/dbraw/zinc/55/28/30/491552830.db2.gz MMIDUAYCWBZRCP-ZIAGYGMSSA-N 2 2 374.576 0.208 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164779 491557042 /nfs/dbraw/zinc/55/70/42/491557042.db2.gz ZYORNBKUTBLHAU-IRXDYDNUSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164779 491557043 /nfs/dbraw/zinc/55/70/43/491557043.db2.gz ZYORNBKUTBLHAU-IRXDYDNUSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164779 491557044 /nfs/dbraw/zinc/55/70/44/491557044.db2.gz ZYORNBKUTBLHAU-IRXDYDNUSA-N 2 2 364.490 0.980 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000568164779 491557045 /nfs/dbraw/zinc/55/70/45/491557045.db2.gz ZYORNBKUTBLHAU-IRXDYDNUSA-N 2 2 364.490 0.980 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000575740572 491557463 /nfs/dbraw/zinc/55/74/63/491557463.db2.gz CLTSFUMEZLEUMN-RBSFLKMASA-N 2 2 361.442 0.342 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)[NH+]1CCOCC1 ZINC000575766307 491559348 /nfs/dbraw/zinc/55/93/48/491559348.db2.gz QIPGMTRYAWNLOO-DLBZAZTESA-N 2 2 368.522 0.258 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000560874021 491561015 /nfs/dbraw/zinc/56/10/15/491561015.db2.gz GJBQZYGOSPVOBT-KRWDZBQOSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000668418905 493350679 /nfs/dbraw/zinc/35/06/79/493350679.db2.gz PFNDTWVZWIGPRZ-JYJNAYRXSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000668418905 493350682 /nfs/dbraw/zinc/35/06/82/493350682.db2.gz PFNDTWVZWIGPRZ-JYJNAYRXSA-N 2 2 368.522 0.591 20 0 FCADLP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000575865991 491566427 /nfs/dbraw/zinc/56/64/27/491566427.db2.gz ANBKSXPBXWXLBA-UHFFFAOYSA-N 2 2 359.474 0.595 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000575898678 491568603 /nfs/dbraw/zinc/56/86/03/491568603.db2.gz YFBMXCLGVFHMTQ-QZTJIDSGSA-N 2 2 362.474 0.565 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC000575898678 491568604 /nfs/dbraw/zinc/56/86/04/491568604.db2.gz YFBMXCLGVFHMTQ-QZTJIDSGSA-N 2 2 362.474 0.565 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000575895304 491568770 /nfs/dbraw/zinc/56/87/70/491568770.db2.gz VEXXDAFFUAZQFR-OAHLLOKOSA-N 2 2 360.462 0.814 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000575932433 491571185 /nfs/dbraw/zinc/57/11/85/491571185.db2.gz KJWPEQPCKDMVMG-QGZVFWFLSA-N 2 2 369.481 0.891 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000575932433 491571187 /nfs/dbraw/zinc/57/11/87/491571187.db2.gz KJWPEQPCKDMVMG-QGZVFWFLSA-N 2 2 369.481 0.891 20 0 FCADLP CN(C)c1cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)[nH+]cc1Br ZINC000561036602 491571865 /nfs/dbraw/zinc/57/18/65/491571865.db2.gz DOGSEQXCHVHUOO-SNVBAGLBSA-N 2 2 371.283 0.935 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000575999611 491574562 /nfs/dbraw/zinc/57/45/62/491574562.db2.gz KBBYYBXSBXGKAC-LLVKDONJSA-N 2 2 359.356 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnnn2CCOCC(F)(F)F)C1 ZINC000575999611 491574563 /nfs/dbraw/zinc/57/45/63/491574563.db2.gz KBBYYBXSBXGKAC-LLVKDONJSA-N 2 2 359.356 0.975 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000577062656 491585353 /nfs/dbraw/zinc/58/53/53/491585353.db2.gz VBPQHHDLNXJANL-CQSZACIVSA-N 2 2 355.280 0.813 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000577062656 491585357 /nfs/dbraw/zinc/58/53/57/491585357.db2.gz VBPQHHDLNXJANL-CQSZACIVSA-N 2 2 355.280 0.813 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000584362452 491582727 /nfs/dbraw/zinc/58/27/27/491582727.db2.gz ZUFFQLFWTLJHAR-DOTOQJQBSA-N 2 2 360.458 0.288 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000584362452 491582731 /nfs/dbraw/zinc/58/27/31/491582731.db2.gz ZUFFQLFWTLJHAR-DOTOQJQBSA-N 2 2 360.458 0.288 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000577054387 491584668 /nfs/dbraw/zinc/58/46/68/491584668.db2.gz GNRPKOVIPSJFRH-CVEARBPZSA-N 2 2 367.519 0.121 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000561224400 491585800 /nfs/dbraw/zinc/58/58/00/491585800.db2.gz VWXSDUXENARZIN-QGZVFWFLSA-N 2 2 361.490 0.426 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427813 493352900 /nfs/dbraw/zinc/35/29/00/493352900.db2.gz SEYXYUXYYXUTEK-HZPDHXFCSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668427813 493352903 /nfs/dbraw/zinc/35/29/03/493352903.db2.gz SEYXYUXYYXUTEK-HZPDHXFCSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000561243413 491588926 /nfs/dbraw/zinc/58/89/26/491588926.db2.gz NQRPJDKCFKDAAF-CVEARBPZSA-N 2 2 354.495 0.250 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000660469813 493353590 /nfs/dbraw/zinc/35/35/90/493353590.db2.gz KWEKIAWDBRTCPQ-GOSISDBHSA-N 3 2 352.523 0.774 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000660469813 493353592 /nfs/dbraw/zinc/35/35/92/493353592.db2.gz KWEKIAWDBRTCPQ-GOSISDBHSA-N 3 2 352.523 0.774 20 0 FCADLP [NH3+]C1(CNC(=O)[C@@H]2CCCS2(=O)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000577191411 491600770 /nfs/dbraw/zinc/60/07/70/491600770.db2.gz KCMBMGBZZJCBQZ-INIZCTEOSA-N 2 2 365.499 0.673 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000584527540 491600902 /nfs/dbraw/zinc/60/09/02/491600902.db2.gz REOINUKXQRILEA-HUUCEWRRSA-N 2 2 368.428 0.942 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000561366976 491602020 /nfs/dbraw/zinc/60/20/20/491602020.db2.gz ALTAZZVCOZOIMS-ULQDDVLXSA-N 2 2 366.506 0.299 20 0 FCADLP NS(=O)(=O)c1ccc(OCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000576288798 491602665 /nfs/dbraw/zinc/60/26/65/491602665.db2.gz FKZRVLMLHPKJKN-UHFFFAOYSA-N 2 2 351.432 0.258 20 0 FCADLP O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000577221479 491604112 /nfs/dbraw/zinc/60/41/12/491604112.db2.gz QMTVCDHYUCKTDN-UHFFFAOYSA-N 2 2 370.497 0.933 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000561424927 491607133 /nfs/dbraw/zinc/60/71/33/491607133.db2.gz FTLPYCYDYMMVEC-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000561424927 491607135 /nfs/dbraw/zinc/60/71/35/491607135.db2.gz FTLPYCYDYMMVEC-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000561424927 491607139 /nfs/dbraw/zinc/60/71/39/491607139.db2.gz FTLPYCYDYMMVEC-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000561424927 491607142 /nfs/dbraw/zinc/60/71/42/491607142.db2.gz FTLPYCYDYMMVEC-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000576388759 491610378 /nfs/dbraw/zinc/61/03/78/491610378.db2.gz FGPLEYUCZOUIQF-OALUTQOASA-N 2 2 370.497 0.850 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)CC2)N1 ZINC000561566641 491617405 /nfs/dbraw/zinc/61/74/05/491617405.db2.gz CPZCSEKXEUXSEV-ASPXRTSYSA-N 2 2 372.469 0.732 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)CC2)N1 ZINC000561566641 491617407 /nfs/dbraw/zinc/61/74/07/491617407.db2.gz CPZCSEKXEUXSEV-ASPXRTSYSA-N 2 2 372.469 0.732 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000576487780 491619417 /nfs/dbraw/zinc/61/94/17/491619417.db2.gz ZYPOUKQDOJHDNH-CQSZACIVSA-N 2 2 357.414 0.882 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000576487780 491619419 /nfs/dbraw/zinc/61/94/19/491619419.db2.gz ZYPOUKQDOJHDNH-CQSZACIVSA-N 2 2 357.414 0.882 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000577413065 491620351 /nfs/dbraw/zinc/62/03/51/491620351.db2.gz WRLNWVXBEWVLES-YQQAZPJKSA-N 2 2 360.458 0.122 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000577413065 491620354 /nfs/dbraw/zinc/62/03/54/491620354.db2.gz WRLNWVXBEWVLES-YQQAZPJKSA-N 2 2 360.458 0.122 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000568976956 491623763 /nfs/dbraw/zinc/62/37/63/491623763.db2.gz XEPYWJQYUYDNDU-SJORKVTESA-N 2 2 373.501 0.182 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000576595490 491627966 /nfs/dbraw/zinc/62/79/66/491627966.db2.gz LUVUJZJSUQKWNG-CZUORRHYSA-N 2 2 362.478 0.913 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000576602893 491628411 /nfs/dbraw/zinc/62/84/11/491628411.db2.gz OMSMBIWMYYPZMW-KGLIPLIRSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000576602893 491628415 /nfs/dbraw/zinc/62/84/15/491628415.db2.gz OMSMBIWMYYPZMW-KGLIPLIRSA-N 2 2 368.503 0.304 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)cn2)CC1 ZINC000577543142 491631503 /nfs/dbraw/zinc/63/15/03/491631503.db2.gz BGJFHSPLHGAHHL-SFHVURJKSA-N 2 2 361.490 0.998 20 0 FCADLP COc1ccc([C@H](NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000569123764 491636309 /nfs/dbraw/zinc/63/63/09/491636309.db2.gz XQCNBTCKWPFUJI-IOASZLSFSA-N 2 2 373.457 0.876 20 0 FCADLP CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000569136532 491636706 /nfs/dbraw/zinc/63/67/06/491636706.db2.gz MTCQPCOSXMSTHG-CQSZACIVSA-N 2 2 363.462 0.722 20 0 FCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646067 491639544 /nfs/dbraw/zinc/63/95/44/491639544.db2.gz DSTZEULZWPPTIG-GOSISDBHSA-N 3 2 354.539 0.565 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646067 491639546 /nfs/dbraw/zinc/63/95/46/491639546.db2.gz DSTZEULZWPPTIG-GOSISDBHSA-N 3 2 354.539 0.565 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646067 491639547 /nfs/dbraw/zinc/63/95/47/491639547.db2.gz DSTZEULZWPPTIG-GOSISDBHSA-N 2 2 354.539 0.565 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000577646067 491639549 /nfs/dbraw/zinc/63/95/49/491639549.db2.gz DSTZEULZWPPTIG-GOSISDBHSA-N 2 2 354.539 0.565 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)C2 ZINC000576736909 491640453 /nfs/dbraw/zinc/64/04/53/491640453.db2.gz VGYRFWXMKJQPHD-AEFFLSMTSA-N 2 2 362.474 0.704 20 0 FCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000569230555 491643545 /nfs/dbraw/zinc/64/35/45/491643545.db2.gz SDCIHHSINKVQKD-INIZCTEOSA-N 2 2 366.510 1.457 20 0 FCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000569230555 491643548 /nfs/dbraw/zinc/64/35/48/491643548.db2.gz SDCIHHSINKVQKD-INIZCTEOSA-N 2 2 366.510 1.457 20 0 FCADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]1 ZINC000569229790 491643920 /nfs/dbraw/zinc/64/39/20/491643920.db2.gz PMVVIEDBNQSEHR-UHFFFAOYSA-N 2 2 350.488 0.603 20 0 FCADLP CSC[C@H](O)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000569232242 491644407 /nfs/dbraw/zinc/64/44/07/491644407.db2.gz PQXLYQNYTZIBPW-OAHLLOKOSA-N 2 2 373.544 0.436 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577726863 491646735 /nfs/dbraw/zinc/64/67/35/491646735.db2.gz KWECTHIIPIDJNC-INIZCTEOSA-N 2 2 355.442 0.758 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC000569259070 491646820 /nfs/dbraw/zinc/64/68/20/491646820.db2.gz HREWJQXCCAZLOR-KRWDZBQOSA-N 2 2 372.473 0.730 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000569259720 491647037 /nfs/dbraw/zinc/64/70/37/491647037.db2.gz JOVQEEIZGFYHFI-AAEUAGOBSA-N 2 2 364.247 0.841 20 0 FCADLP C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000576813244 491647381 /nfs/dbraw/zinc/64/73/81/491647381.db2.gz GNADGLQXBOYKMM-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000576813244 491647384 /nfs/dbraw/zinc/64/73/84/491647384.db2.gz GNADGLQXBOYKMM-CVEARBPZSA-N 2 2 355.527 0.421 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000576962914 491660742 /nfs/dbraw/zinc/66/07/42/491660742.db2.gz KUIAQRXYVIDMPO-GOEBONIOSA-N 2 2 361.490 0.867 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577942104 491664473 /nfs/dbraw/zinc/66/44/73/491664473.db2.gz SPGDXDLAEMPJHM-PVAVHDDUSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577942104 491664475 /nfs/dbraw/zinc/66/44/75/491664475.db2.gz SPGDXDLAEMPJHM-PVAVHDDUSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000569474102 491664706 /nfs/dbraw/zinc/66/47/06/491664706.db2.gz UGFKMGYQFUWVIP-GOEBONIOSA-N 2 2 369.487 0.347 20 0 FCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000578006970 491667868 /nfs/dbraw/zinc/66/78/68/491667868.db2.gz ZHALDLZKTUWGIK-HUUCEWRRSA-N 2 2 368.503 0.931 20 0 FCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000578067240 491669060 /nfs/dbraw/zinc/66/90/60/491669060.db2.gz BOVVGLIJSLQLGH-QGZVFWFLSA-N 2 2 372.473 0.739 20 0 FCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000578238076 491672913 /nfs/dbraw/zinc/67/29/13/491672913.db2.gz JFERXYKZOCEJFK-UHFFFAOYSA-N 2 2 370.519 0.851 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000578248638 491673168 /nfs/dbraw/zinc/67/31/68/491673168.db2.gz NRSDMYYNYAHFLM-UHFFFAOYSA-N 2 2 358.402 0.121 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000578248638 491673169 /nfs/dbraw/zinc/67/31/69/491673169.db2.gz NRSDMYYNYAHFLM-UHFFFAOYSA-N 2 2 358.402 0.121 20 0 FCADLP CC1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000578306616 491674301 /nfs/dbraw/zinc/67/43/01/491674301.db2.gz ZGULGVWVWARKOU-KRWDZBQOSA-N 2 2 356.536 0.883 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)[C@H](C[NH3+])C1 ZINC000578486192 491678077 /nfs/dbraw/zinc/67/80/77/491678077.db2.gz XJBGAHCFFKQKHQ-CQSZACIVSA-N 2 2 367.475 0.234 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)[C@H](C[NH3+])C1 ZINC000578486192 491678078 /nfs/dbraw/zinc/67/80/78/491678078.db2.gz XJBGAHCFFKQKHQ-CQSZACIVSA-N 2 2 367.475 0.234 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000578505595 491678571 /nfs/dbraw/zinc/67/85/71/491678571.db2.gz SRYLDTALODWRRX-QGZVFWFLSA-N 2 2 365.522 0.762 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000578563345 491679955 /nfs/dbraw/zinc/67/99/55/491679955.db2.gz XCQYGDZMISBBGX-HOTGVXAUSA-N 2 2 361.490 0.973 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@H](C[NH3+])C1 ZINC000578744247 491683321 /nfs/dbraw/zinc/68/33/21/491683321.db2.gz WZXSAMMAVOZADQ-LVQVYYBASA-N 2 2 364.494 0.665 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@H](C[NH3+])C1 ZINC000578744247 491683322 /nfs/dbraw/zinc/68/33/22/491683322.db2.gz WZXSAMMAVOZADQ-LVQVYYBASA-N 2 2 364.494 0.665 20 0 FCADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+](C)CC(=O)NCc2ccccc2)C1=O ZINC000578813017 491685010 /nfs/dbraw/zinc/68/50/10/491685010.db2.gz UJWLUBCPQAMEQH-INIZCTEOSA-N 2 2 360.458 0.314 20 0 FCADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+](C)CC(=O)NCc2ccccc2)C1=O ZINC000578813017 491685011 /nfs/dbraw/zinc/68/50/11/491685011.db2.gz UJWLUBCPQAMEQH-INIZCTEOSA-N 2 2 360.458 0.314 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000578908146 491687044 /nfs/dbraw/zinc/68/70/44/491687044.db2.gz VRLPYXBNSCJXHG-GOSISDBHSA-N 2 2 354.454 0.953 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)[C@H](C[NH3+])C1 ZINC000579091462 491690557 /nfs/dbraw/zinc/69/05/57/491690557.db2.gz UUVPLCYLGMNBDO-MSOLQXFVSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)[C@H](C[NH3+])C1 ZINC000579091462 491690558 /nfs/dbraw/zinc/69/05/58/491690558.db2.gz UUVPLCYLGMNBDO-MSOLQXFVSA-N 2 2 373.501 0.504 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H](C)O1 ZINC000579103109 491690980 /nfs/dbraw/zinc/69/09/80/491690980.db2.gz DIEHHIAMBZGLMN-KBUPBQIOSA-N 2 2 353.429 0.930 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@]3(CC[NH2+]C3)C1)C2 ZINC000579220598 491693217 /nfs/dbraw/zinc/69/32/17/491693217.db2.gz KGYQJJRMIJXTLF-LJQANCHMSA-N 2 2 359.474 0.640 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000579331025 491695621 /nfs/dbraw/zinc/69/56/21/491695621.db2.gz VTXVDRNTXGNXQS-UHFFFAOYSA-N 2 2 370.461 0.783 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000579350737 491696067 /nfs/dbraw/zinc/69/60/67/491696067.db2.gz WWKSDHTXGSYPOF-HNNXBMFYSA-N 2 2 368.865 0.469 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579429362 491697755 /nfs/dbraw/zinc/69/77/55/491697755.db2.gz PTCFOQXUIDGFHC-HXUWFJFHSA-N 2 2 359.470 0.604 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000579429362 491697756 /nfs/dbraw/zinc/69/77/56/491697756.db2.gz PTCFOQXUIDGFHC-HXUWFJFHSA-N 2 2 359.470 0.604 20 0 FCADLP COC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H](OC)C1 ZINC000579479800 491698733 /nfs/dbraw/zinc/69/87/33/491698733.db2.gz DHSLAJRHOUULDY-HLLBOEOZSA-N 2 2 355.479 0.487 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000579506349 491699491 /nfs/dbraw/zinc/69/94/91/491699491.db2.gz VUXBCJQRHVUJFM-CVEARBPZSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609041 491701400 /nfs/dbraw/zinc/70/14/00/491701400.db2.gz LWPCLEPVMYEIDW-CRAIPNDOSA-N 2 2 374.485 0.587 20 0 FCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000579609041 491701401 /nfs/dbraw/zinc/70/14/01/491701401.db2.gz LWPCLEPVMYEIDW-CRAIPNDOSA-N 2 2 374.485 0.587 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H]1n1cccn1 ZINC000579704941 491703340 /nfs/dbraw/zinc/70/33/40/491703340.db2.gz ZTMBVCMHHJYODF-UXJCHEOYSA-N 2 2 352.479 0.661 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000580299598 491724901 /nfs/dbraw/zinc/72/49/01/491724901.db2.gz PVXAKSCZSTVSRF-HNNXBMFYSA-N 2 2 367.519 0.548 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000580299598 491724902 /nfs/dbraw/zinc/72/49/02/491724902.db2.gz PVXAKSCZSTVSRF-HNNXBMFYSA-N 2 2 367.519 0.548 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000580414349 491730106 /nfs/dbraw/zinc/73/01/06/491730106.db2.gz PGHGZLVFOJRKDG-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000580414349 491730107 /nfs/dbraw/zinc/73/01/07/491730107.db2.gz PGHGZLVFOJRKDG-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP C[N@H+]1CCN(C(=O)CCn2cc(Br)ccc2=O)[C@H](C[NH3+])C1 ZINC000580561493 491736155 /nfs/dbraw/zinc/73/61/55/491736155.db2.gz DCVFTFUAGOOJGB-GFCCVEGCSA-N 2 2 357.252 0.102 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000580602352 491738445 /nfs/dbraw/zinc/73/84/45/491738445.db2.gz GPLPORJKDAGHSW-DOTOQJQBSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000580602352 491738447 /nfs/dbraw/zinc/73/84/47/491738447.db2.gz GPLPORJKDAGHSW-DOTOQJQBSA-N 2 2 364.490 0.076 20 0 FCADLP CSCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236334 491742569 /nfs/dbraw/zinc/74/25/69/491742569.db2.gz CTDRWPWXBDQMJF-HNNXBMFYSA-N 2 2 370.563 0.921 20 0 FCADLP CSCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236334 491742571 /nfs/dbraw/zinc/74/25/71/491742571.db2.gz CTDRWPWXBDQMJF-HNNXBMFYSA-N 2 2 370.563 0.921 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236460 491742589 /nfs/dbraw/zinc/74/25/89/491742589.db2.gz XZHBDSATISSKBV-CQSZACIVSA-N 2 2 356.536 0.483 20 0 FCADLP CSCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236460 491742590 /nfs/dbraw/zinc/74/25/90/491742590.db2.gz XZHBDSATISSKBV-CQSZACIVSA-N 2 2 356.536 0.483 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000580714717 491742757 /nfs/dbraw/zinc/74/27/57/491742757.db2.gz GTERVZQDMZQLND-HUUCEWRRSA-N 2 2 357.458 0.832 20 0 FCADLP CCSCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236389 491742808 /nfs/dbraw/zinc/74/28/08/491742808.db2.gz LWKVNRIVXNZGDQ-CQSZACIVSA-N 2 2 356.536 0.531 20 0 FCADLP CCSCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236389 491742810 /nfs/dbraw/zinc/74/28/10/491742810.db2.gz LWKVNRIVXNZGDQ-CQSZACIVSA-N 2 2 356.536 0.531 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236892 491743036 /nfs/dbraw/zinc/74/30/36/491743036.db2.gz WPLGUILNATUSIL-KBPBESRZSA-N 2 2 356.536 0.529 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236892 491743038 /nfs/dbraw/zinc/74/30/38/491743038.db2.gz WPLGUILNATUSIL-KBPBESRZSA-N 2 2 356.536 0.529 20 0 FCADLP Cc1cc(C)nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000683664001 493363532 /nfs/dbraw/zinc/36/35/32/493363532.db2.gz YOBAMIKPOCBKOJ-OAHLLOKOSA-N 2 2 359.474 0.922 20 0 FCADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000580893101 491750572 /nfs/dbraw/zinc/75/05/72/491750572.db2.gz OFRYIXZMDXIXLW-MAUKXSAKSA-N 2 2 374.485 0.457 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000580970309 491753901 /nfs/dbraw/zinc/75/39/01/491753901.db2.gz YEYPQINLIQNJJY-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000580970309 491753902 /nfs/dbraw/zinc/75/39/02/491753902.db2.gz YEYPQINLIQNJJY-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000580970309 491753903 /nfs/dbraw/zinc/75/39/03/491753903.db2.gz YEYPQINLIQNJJY-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000580970309 491753904 /nfs/dbraw/zinc/75/39/04/491753904.db2.gz YEYPQINLIQNJJY-HZPDHXFCSA-N 2 2 354.495 0.060 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000589254770 491759454 /nfs/dbraw/zinc/75/94/54/491759454.db2.gz NHNNTAXWZNNEOZ-WMZOPIPTSA-N 2 2 368.522 0.401 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000589254770 491759456 /nfs/dbraw/zinc/75/94/56/491759456.db2.gz NHNNTAXWZNNEOZ-WMZOPIPTSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(S(N)(=O)=O)c3)C2)CC1 ZINC000589820421 491766109 /nfs/dbraw/zinc/76/61/09/491766109.db2.gz NIFDDJUAXLLTHG-HNNXBMFYSA-N 2 2 370.494 0.685 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(S(N)(=O)=O)c3)C2)CC1 ZINC000589820421 491766110 /nfs/dbraw/zinc/76/61/10/491766110.db2.gz NIFDDJUAXLLTHG-HNNXBMFYSA-N 2 2 370.494 0.685 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556146 491777738 /nfs/dbraw/zinc/77/77/38/491777738.db2.gz TUGHYCKZDXQCLP-MRXNPFEDSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556146 491777739 /nfs/dbraw/zinc/77/77/39/491777739.db2.gz TUGHYCKZDXQCLP-MRXNPFEDSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556146 491777741 /nfs/dbraw/zinc/77/77/41/491777741.db2.gz TUGHYCKZDXQCLP-MRXNPFEDSA-N 2 2 367.465 0.913 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000581556146 491777742 /nfs/dbraw/zinc/77/77/42/491777742.db2.gz TUGHYCKZDXQCLP-MRXNPFEDSA-N 2 2 367.465 0.913 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590871109 491787975 /nfs/dbraw/zinc/78/79/75/491787975.db2.gz NXRAUDDJUWARBE-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590871109 491787976 /nfs/dbraw/zinc/78/79/76/491787976.db2.gz NXRAUDDJUWARBE-HOTGVXAUSA-N 2 2 354.495 0.338 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+](C)C1 ZINC000591175314 491798055 /nfs/dbraw/zinc/79/80/55/491798055.db2.gz XUJDRPRGMFWZJK-WBVHZDCISA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+](C)C1 ZINC000591175314 491798056 /nfs/dbraw/zinc/79/80/56/491798056.db2.gz XUJDRPRGMFWZJK-WBVHZDCISA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175314 491798057 /nfs/dbraw/zinc/79/80/57/491798057.db2.gz XUJDRPRGMFWZJK-WBVHZDCISA-N 2 2 360.458 0.919 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+](C)C1 ZINC000591175314 491798058 /nfs/dbraw/zinc/79/80/58/491798058.db2.gz XUJDRPRGMFWZJK-WBVHZDCISA-N 2 2 360.458 0.919 20 0 FCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000582170973 491801058 /nfs/dbraw/zinc/80/10/58/491801058.db2.gz SWNMUOQKGFUCNI-GJZGRUSLSA-N 2 2 351.495 0.323 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371287 491809918 /nfs/dbraw/zinc/80/99/18/491809918.db2.gz UBOIQSCKLCQJLG-CABCVRRESA-N 2 2 350.850 0.243 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(Cl)cc3)CCN2C1=O ZINC000582371287 491809919 /nfs/dbraw/zinc/80/99/19/491809919.db2.gz UBOIQSCKLCQJLG-CABCVRRESA-N 2 2 350.850 0.243 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000582434563 491812642 /nfs/dbraw/zinc/81/26/42/491812642.db2.gz BJUKKUBNJBVNLR-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000582434563 491812643 /nfs/dbraw/zinc/81/26/43/491812643.db2.gz BJUKKUBNJBVNLR-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)C[C@@H](C)O1 ZINC000582481753 491814039 /nfs/dbraw/zinc/81/40/39/491814039.db2.gz GJAWOJQUVORSKD-KLHDSHLOSA-N 2 2 352.454 0.859 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000582603738 491819324 /nfs/dbraw/zinc/81/93/24/491819324.db2.gz QGILEQRQUUSMOJ-ZBFHGGJFSA-N 2 2 359.405 0.633 20 0 FCADLP C[C@@]1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000582655724 491821234 /nfs/dbraw/zinc/82/12/34/491821234.db2.gz ZCGRWIQCAYZWDP-IAGOWNOFSA-N 2 2 356.536 0.883 20 0 FCADLP C[C@]1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC[NH2+]C1 ZINC000582655725 491821403 /nfs/dbraw/zinc/82/14/03/491821403.db2.gz ZCGRWIQCAYZWDP-IRXDYDNUSA-N 2 2 356.536 0.883 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000582798861 491827466 /nfs/dbraw/zinc/82/74/66/491827466.db2.gz BWNYOEUBDVULKF-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000582894908 491830862 /nfs/dbraw/zinc/83/08/62/491830862.db2.gz OEFZXLROQWMICY-MSOLQXFVSA-N 2 2 369.469 0.874 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000582894908 491830863 /nfs/dbraw/zinc/83/08/63/491830863.db2.gz OEFZXLROQWMICY-MSOLQXFVSA-N 2 2 369.469 0.874 20 0 FCADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000583240345 491840724 /nfs/dbraw/zinc/84/07/24/491840724.db2.gz URHNWPHLOBHOGU-HNNXBMFYSA-N 2 2 357.414 0.596 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1C[C@H]3C[NH2+]CC[C@@H]3C1)C2 ZINC000583257123 491841053 /nfs/dbraw/zinc/84/10/53/491841053.db2.gz IKSYSFIZTXAIIF-ZIAGYGMSSA-N 2 2 359.474 0.496 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000583264137 491841115 /nfs/dbraw/zinc/84/11/15/491841115.db2.gz MCEQFDLGEYDURJ-HRCADAONSA-N 2 2 357.520 0.344 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000583264137 491841116 /nfs/dbraw/zinc/84/11/16/491841116.db2.gz MCEQFDLGEYDURJ-HRCADAONSA-N 2 2 357.520 0.344 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CNC(=O)C1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583441424 491845049 /nfs/dbraw/zinc/84/50/49/491845049.db2.gz BASIIOHWKMCKSF-OAHLLOKOSA-N 2 2 359.474 0.900 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583527017 491846813 /nfs/dbraw/zinc/84/68/13/491846813.db2.gz KPVDKXHEAWNVBW-HOCLYGCPSA-N 2 2 374.489 0.382 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583527017 491846814 /nfs/dbraw/zinc/84/68/14/491846814.db2.gz KPVDKXHEAWNVBW-HOCLYGCPSA-N 2 2 374.489 0.382 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000583621596 491848707 /nfs/dbraw/zinc/84/87/07/491848707.db2.gz HENSPLJLSWIGCY-IRXDYDNUSA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000583621596 491848708 /nfs/dbraw/zinc/84/87/08/491848708.db2.gz HENSPLJLSWIGCY-IRXDYDNUSA-N 2 2 368.522 0.546 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000583683296 491849994 /nfs/dbraw/zinc/84/99/94/491849994.db2.gz DXPASIOWOGYNEE-CABCVRRESA-N 2 2 362.478 0.214 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000583750593 491851084 /nfs/dbraw/zinc/85/10/84/491851084.db2.gz ZNGUXHJAZKSDGP-QGZVFWFLSA-N 2 2 360.458 0.716 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)nn1 ZINC000583862542 491853577 /nfs/dbraw/zinc/85/35/77/491853577.db2.gz MHPCMGHNYUIXHR-HNNXBMFYSA-N 2 2 363.466 0.532 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)nn1 ZINC000583862542 491853578 /nfs/dbraw/zinc/85/35/78/491853578.db2.gz MHPCMGHNYUIXHR-HNNXBMFYSA-N 2 2 363.466 0.532 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)n2C ZINC000583915531 491854707 /nfs/dbraw/zinc/85/47/07/491854707.db2.gz KWVUMNCZIRQKOO-BETUJISGSA-N 2 2 358.446 0.627 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)n2C ZINC000583915531 491854708 /nfs/dbraw/zinc/85/47/08/491854708.db2.gz KWVUMNCZIRQKOO-BETUJISGSA-N 2 2 358.446 0.627 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668504920 493366621 /nfs/dbraw/zinc/36/66/21/493366621.db2.gz WFOQWMLZWPKKFK-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668504920 493366625 /nfs/dbraw/zinc/36/66/25/493366625.db2.gz WFOQWMLZWPKKFK-HZPDHXFCSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000583983525 491856011 /nfs/dbraw/zinc/85/60/11/491856011.db2.gz CTLRVXSOYMQXDR-WMLDXEAASA-N 2 2 361.490 0.999 20 0 FCADLP CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000583983525 491856012 /nfs/dbraw/zinc/85/60/12/491856012.db2.gz CTLRVXSOYMQXDR-WMLDXEAASA-N 2 2 361.490 0.999 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)[C@@H]3CCCOC3)CC2)CC1 ZINC000584110473 491858739 /nfs/dbraw/zinc/85/87/39/491858739.db2.gz DWNVKUMYQAALTH-QGZVFWFLSA-N 2 2 359.536 0.987 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)[C@@H]3CCCOC3)CC2)CC1 ZINC000584110473 491858740 /nfs/dbraw/zinc/85/87/40/491858740.db2.gz DWNVKUMYQAALTH-QGZVFWFLSA-N 2 2 359.536 0.987 20 0 FCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584107414 491858795 /nfs/dbraw/zinc/85/87/95/491858795.db2.gz YGCYKLLPEOHYQW-GDBMZVCRSA-N 2 2 369.487 0.347 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000584126908 491859123 /nfs/dbraw/zinc/85/91/23/491859123.db2.gz CLBINWHBOSYMEN-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000584126908 491859124 /nfs/dbraw/zinc/85/91/24/491859124.db2.gz CLBINWHBOSYMEN-UHFFFAOYSA-N 3 2 367.538 0.071 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138880 491859394 /nfs/dbraw/zinc/85/93/94/491859394.db2.gz IAKWKMYKTQYTEM-CJNGLKHVSA-N 2 2 359.474 0.777 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000584138880 491859395 /nfs/dbraw/zinc/85/93/95/491859395.db2.gz IAKWKMYKTQYTEM-CJNGLKHVSA-N 2 2 359.474 0.777 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000584218951 491860808 /nfs/dbraw/zinc/86/08/08/491860808.db2.gz FSMJXFKDFKQHRM-INIZCTEOSA-N 2 2 351.495 0.324 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000584218951 491860809 /nfs/dbraw/zinc/86/08/09/491860809.db2.gz FSMJXFKDFKQHRM-INIZCTEOSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651608 491865822 /nfs/dbraw/zinc/86/58/22/491865822.db2.gz WPVGMVJOVCKXSO-RHSMWYFYSA-N 2 2 371.485 0.897 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000611651608 491865824 /nfs/dbraw/zinc/86/58/24/491865824.db2.gz WPVGMVJOVCKXSO-RHSMWYFYSA-N 2 2 371.485 0.897 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876008 491869855 /nfs/dbraw/zinc/86/98/55/491869855.db2.gz YODIPRCITKPXPD-SJORKVTESA-N 2 2 360.458 0.083 20 0 FCADLP CCOCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000594876008 491869856 /nfs/dbraw/zinc/86/98/56/491869856.db2.gz YODIPRCITKPXPD-SJORKVTESA-N 2 2 360.458 0.083 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823491 491876387 /nfs/dbraw/zinc/87/63/87/491876387.db2.gz SQYMIRQOXFSAAY-DLBZAZTESA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823491 491876388 /nfs/dbraw/zinc/87/63/88/491876388.db2.gz SQYMIRQOXFSAAY-DLBZAZTESA-N 2 2 364.490 0.053 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000600905200 491888914 /nfs/dbraw/zinc/88/89/14/491888914.db2.gz FCIJDGUERWFVIZ-OAHLLOKOSA-N 2 2 351.520 0.821 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000600905200 491888916 /nfs/dbraw/zinc/88/89/16/491888916.db2.gz FCIJDGUERWFVIZ-OAHLLOKOSA-N 2 2 351.520 0.821 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)CCN2C1=O ZINC000600947396 491889424 /nfs/dbraw/zinc/88/94/24/491889424.db2.gz LLSVDQWSRJHKMR-HOTGVXAUSA-N 2 2 350.426 0.745 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000600979089 491891554 /nfs/dbraw/zinc/89/15/54/491891554.db2.gz JGVMLXJXGBQQDP-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000600979089 491891557 /nfs/dbraw/zinc/89/15/57/491891557.db2.gz JGVMLXJXGBQQDP-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP COC(=O)CCN1CC[C@H]([NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1=O ZINC000595303259 491915048 /nfs/dbraw/zinc/91/50/48/491915048.db2.gz ODJMOCOWVCWERH-HNNXBMFYSA-N 2 2 362.430 0.376 20 0 FCADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612413092 491915396 /nfs/dbraw/zinc/91/53/96/491915396.db2.gz QLMBJIBBDQORKS-IEBWSBKVSA-N 2 2 354.454 0.981 20 0 FCADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000612413092 491915397 /nfs/dbraw/zinc/91/53/97/491915397.db2.gz QLMBJIBBDQORKS-IEBWSBKVSA-N 2 2 354.454 0.981 20 0 FCADLP COC(=O)Cn1cc(CC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)nn1 ZINC000595510474 491938776 /nfs/dbraw/zinc/93/87/76/491938776.db2.gz CDUAJTHJIFHPCY-UHFFFAOYSA-N 2 2 353.467 0.066 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(OCC(N)=O)c3)C2)CC1 ZINC000602203341 491968101 /nfs/dbraw/zinc/96/81/01/491968101.db2.gz NFXZCNHPJUIATJ-HNNXBMFYSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(OCC(N)=O)c3)C2)CC1 ZINC000602203341 491968102 /nfs/dbraw/zinc/96/81/02/491968102.db2.gz NFXZCNHPJUIATJ-HNNXBMFYSA-N 2 2 360.458 0.449 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc(Br)cn3)C2)CC1 ZINC000602203006 491968123 /nfs/dbraw/zinc/96/81/23/491968123.db2.gz AWOVARQYKCLABX-ZDUSSCGKSA-N 2 2 370.295 0.930 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc(Br)cn3)C2)CC1 ZINC000602203006 491968126 /nfs/dbraw/zinc/96/81/26/491968126.db2.gz AWOVARQYKCLABX-ZDUSSCGKSA-N 2 2 370.295 0.930 20 0 FCADLP COC(=O)[C@@]1(C)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000602254347 491973037 /nfs/dbraw/zinc/97/30/37/491973037.db2.gz HRZLENCLNUISBP-KHYOSLBOSA-N 2 2 366.506 0.996 20 0 FCADLP COC(=O)[C@@]1(C)CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000602254347 491973039 /nfs/dbraw/zinc/97/30/39/491973039.db2.gz HRZLENCLNUISBP-KHYOSLBOSA-N 2 2 366.506 0.996 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613552778 491985913 /nfs/dbraw/zinc/98/59/13/491985913.db2.gz ODCZUFTWBBMLCE-ZIAGYGMSSA-N 2 2 350.488 0.364 20 0 FCADLP CCOC(=O)c1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000602659691 491994767 /nfs/dbraw/zinc/99/47/67/491994767.db2.gz RAMOUTQXWVISBR-UHFFFAOYSA-N 2 2 364.446 0.837 20 0 FCADLP COC(=O)c1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000602659923 491994803 /nfs/dbraw/zinc/99/48/03/491994803.db2.gz VXUGASJNJJCCIA-UHFFFAOYSA-N 2 2 350.419 0.447 20 0 FCADLP Cc1ccccc1C(=O)NC1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613996228 492009123 /nfs/dbraw/zinc/00/91/23/492009123.db2.gz QVXDPXNTHRGJOU-IAGOWNOFSA-N 2 2 370.497 0.867 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000597461615 492039758 /nfs/dbraw/zinc/03/97/58/492039758.db2.gz IGHXVKRUUXWBEU-RHSMWYFYSA-N 2 2 370.457 0.919 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000597461615 492039759 /nfs/dbraw/zinc/03/97/59/492039759.db2.gz IGHXVKRUUXWBEU-RHSMWYFYSA-N 2 2 370.457 0.919 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](CO)Cc3ccco3)C2)CC1 ZINC000604209855 492054730 /nfs/dbraw/zinc/05/47/30/492054730.db2.gz SZONGWMDFARGFN-HOTGVXAUSA-N 2 2 364.490 0.898 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H](CO)Cc3ccco3)C2)CC1 ZINC000604209855 492054731 /nfs/dbraw/zinc/05/47/31/492054731.db2.gz SZONGWMDFARGFN-HOTGVXAUSA-N 2 2 364.490 0.898 20 0 FCADLP Cc1cccn2cc(CC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)[nH+]c12 ZINC000604376157 492059202 /nfs/dbraw/zinc/05/92/02/492059202.db2.gz GYFRKBRIFUYCRN-QGZVFWFLSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1cccn2cc(CC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)[nH+]c12 ZINC000604376157 492059203 /nfs/dbraw/zinc/05/92/03/492059203.db2.gz GYFRKBRIFUYCRN-QGZVFWFLSA-N 2 2 371.485 0.708 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604388471 492059550 /nfs/dbraw/zinc/05/95/50/492059550.db2.gz FAWAQOLEOBHRNC-IBGZPJMESA-N 3 2 365.566 0.687 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604388471 492059552 /nfs/dbraw/zinc/05/95/52/492059552.db2.gz FAWAQOLEOBHRNC-IBGZPJMESA-N 3 2 365.566 0.687 20 0 FCADLP CCCCOCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000605304656 492091203 /nfs/dbraw/zinc/09/12/03/492091203.db2.gz HEFUJZFOMVRCMY-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC[C@@H]([NH+]3CCOCC3)C1)n2C ZINC000615543607 492093688 /nfs/dbraw/zinc/09/36/88/492093688.db2.gz LCNAEXOSVLNCDS-CQSZACIVSA-N 2 2 372.473 0.971 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)(N2CCOCC2)CC1 ZINC000616257642 492123619 /nfs/dbraw/zinc/12/36/19/492123619.db2.gz SMYWSQPSKKBBSX-MRXNPFEDSA-N 2 2 361.490 0.358 20 0 FCADLP C[C@@H](NC(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000606700705 492127299 /nfs/dbraw/zinc/12/72/99/492127299.db2.gz OXDLDLKBCXZXEO-SJLPKXTDSA-N 2 2 367.538 0.375 20 0 FCADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000607043606 492136941 /nfs/dbraw/zinc/13/69/41/492136941.db2.gz OSOWUAZFBPNASL-UHFFFAOYSA-N 2 2 365.441 0.981 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000607339398 492144269 /nfs/dbraw/zinc/14/42/69/492144269.db2.gz DHZKJEXHYABQMM-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000607339398 492144270 /nfs/dbraw/zinc/14/42/70/492144270.db2.gz DHZKJEXHYABQMM-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000607339398 492144272 /nfs/dbraw/zinc/14/42/72/492144272.db2.gz DHZKJEXHYABQMM-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000607339398 492144273 /nfs/dbraw/zinc/14/42/73/492144273.db2.gz DHZKJEXHYABQMM-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691404 492187243 /nfs/dbraw/zinc/18/72/43/492187243.db2.gz QGCXHFCHBALDNS-HUUCEWRRSA-N 2 2 362.478 0.886 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000608691404 492187246 /nfs/dbraw/zinc/18/72/46/492187246.db2.gz QGCXHFCHBALDNS-HUUCEWRRSA-N 2 2 362.478 0.886 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNS(=O)(=O)c1cccs1 ZINC000617767787 492190716 /nfs/dbraw/zinc/19/07/16/492190716.db2.gz CPYPVWIKEFBYRF-UHFFFAOYSA-N 2 2 362.521 0.026 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1cccs1 ZINC000617767787 492190717 /nfs/dbraw/zinc/19/07/17/492190717.db2.gz CPYPVWIKEFBYRF-UHFFFAOYSA-N 2 2 362.521 0.026 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000618305934 492221391 /nfs/dbraw/zinc/22/13/91/492221391.db2.gz MRFCUKXGOVPDBA-MRXNPFEDSA-N 2 2 360.502 0.912 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000618305934 492221393 /nfs/dbraw/zinc/22/13/93/492221393.db2.gz MRFCUKXGOVPDBA-MRXNPFEDSA-N 2 2 360.502 0.912 20 0 FCADLP C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609920238 492227546 /nfs/dbraw/zinc/22/75/46/492227546.db2.gz CBYXTTZHGULUFF-AVKLZBBQSA-N 2 2 356.536 0.706 20 0 FCADLP C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609920238 492227548 /nfs/dbraw/zinc/22/75/48/492227548.db2.gz CBYXTTZHGULUFF-AVKLZBBQSA-N 2 2 356.536 0.706 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225294 492282107 /nfs/dbraw/zinc/28/21/07/492282107.db2.gz WHIJXPKMFJBXPC-QZTJIDSGSA-N 2 2 350.507 0.336 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCOC[C@@H]3C3CC3)C2)CC1 ZINC000611225294 492282108 /nfs/dbraw/zinc/28/21/08/492282108.db2.gz WHIJXPKMFJBXPC-QZTJIDSGSA-N 2 2 350.507 0.336 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619969267 492284615 /nfs/dbraw/zinc/28/46/15/492284615.db2.gz HBAKLUUGIQWNHR-BRWVUGGUSA-N 2 2 351.491 0.714 20 0 FCADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000627471374 492310571 /nfs/dbraw/zinc/31/05/71/492310571.db2.gz MIEDUEUETUWXJC-MRXNPFEDSA-N 2 2 363.462 0.007 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1(C)C ZINC000641830485 492313020 /nfs/dbraw/zinc/31/30/20/492313020.db2.gz QVXJKOANDMOZAM-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1(C)C ZINC000641830485 492313023 /nfs/dbraw/zinc/31/30/23/492313023.db2.gz QVXJKOANDMOZAM-UHFFFAOYSA-N 2 2 354.495 0.603 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000647567101 492313770 /nfs/dbraw/zinc/31/37/70/492313770.db2.gz LELCSVLPYDYMHH-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567101 492313774 /nfs/dbraw/zinc/31/37/74/492313774.db2.gz LELCSVLPYDYMHH-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567101 492313780 /nfs/dbraw/zinc/31/37/80/492313780.db2.gz LELCSVLPYDYMHH-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000647567101 492313784 /nfs/dbraw/zinc/31/37/84/492313784.db2.gz LELCSVLPYDYMHH-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CC[NH+](CC)CCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000641936636 492323567 /nfs/dbraw/zinc/32/35/67/492323567.db2.gz PBCRQCQGBAPEQM-UHFFFAOYSA-N 2 2 369.535 1.162 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000641935420 492323592 /nfs/dbraw/zinc/32/35/92/492323592.db2.gz BPZBRBCUBDZHOM-OAHLLOKOSA-N 2 2 367.519 0.914 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000641935420 492323595 /nfs/dbraw/zinc/32/35/95/492323595.db2.gz BPZBRBCUBDZHOM-OAHLLOKOSA-N 2 2 367.519 0.914 20 0 FCADLP CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193664 492325203 /nfs/dbraw/zinc/32/52/03/492325203.db2.gz LTKSZVRTVLVEIO-HNNXBMFYSA-N 2 2 369.491 0.346 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC(=O)NCC(F)(F)F)c2)CC1 ZINC000634193574 492325299 /nfs/dbraw/zinc/32/52/99/492325299.db2.gz KIQFRCHEHSIUQC-UHFFFAOYSA-N 2 2 359.352 0.841 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634196291 492325986 /nfs/dbraw/zinc/32/59/86/492325986.db2.gz SVYLRBYKCASVPS-UHFFFAOYSA-N 2 2 357.414 0.648 20 0 FCADLP C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194925 492326080 /nfs/dbraw/zinc/32/60/80/492326080.db2.gz YUOMFMDBFVPTPJ-WBMJQRKESA-N 2 2 361.446 0.048 20 0 FCADLP Cc1nnc2n1C[C@@H](C(=O)Nc1cc(N3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC000634195531 492326159 /nfs/dbraw/zinc/32/61/59/492326159.db2.gz CECBRNSAHRZCGH-AWEZNQCLSA-N 2 2 355.446 0.934 20 0 FCADLP O=C(CNC(=O)N1CC[NH+](Cc2cccs2)CC1)N1CC[NH2+]CC1 ZINC000634240133 492330430 /nfs/dbraw/zinc/33/04/30/492330430.db2.gz MBODIDQUXAFSHN-UHFFFAOYSA-N 2 2 351.476 0.007 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642079101 492332366 /nfs/dbraw/zinc/33/23/66/492332366.db2.gz OKECSPLPVDXAOV-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642079101 492332370 /nfs/dbraw/zinc/33/23/70/492332370.db2.gz OKECSPLPVDXAOV-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[NH2+]1 ZINC000642105185 492335323 /nfs/dbraw/zinc/33/53/23/492335323.db2.gz UTOWXRBVNBYBEJ-MRXNPFEDSA-N 2 2 355.442 0.945 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000647690945 492345272 /nfs/dbraw/zinc/34/52/72/492345272.db2.gz YOZMKAIVPHJXBU-ZFWWWQNUSA-N 2 2 350.463 0.126 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC000647690943 492345770 /nfs/dbraw/zinc/34/57/70/492345770.db2.gz YOZMKAIVPHJXBU-HIFRSBDPSA-N 2 2 350.463 0.126 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642293961 492348452 /nfs/dbraw/zinc/34/84/52/492348452.db2.gz CENYETXGASQAOG-ZBFHGGJFSA-N 2 2 355.442 0.671 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642294000 492348600 /nfs/dbraw/zinc/34/86/00/492348600.db2.gz NPKIYVAARIWJDE-MLGOLLRUSA-N 2 2 359.430 0.036 20 0 FCADLP [NH3+][C@@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000642327585 492351372 /nfs/dbraw/zinc/35/13/72/492351372.db2.gz NVNDQZMKZCAKSY-SFHVURJKSA-N 2 2 352.438 0.935 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657849 492371113 /nfs/dbraw/zinc/37/11/13/492371113.db2.gz IPPPFKRCHXVVHY-QZTJIDSGSA-N 2 2 370.538 0.999 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000642657849 492371114 /nfs/dbraw/zinc/37/11/14/492371114.db2.gz IPPPFKRCHXVVHY-QZTJIDSGSA-N 2 2 370.538 0.999 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cc2[nH+]1 ZINC000627769379 492379519 /nfs/dbraw/zinc/37/95/19/492379519.db2.gz HTYFQEMUWNYMTI-AWEZNQCLSA-N 2 2 372.429 0.037 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2[nH+]1 ZINC000627769379 492379525 /nfs/dbraw/zinc/37/95/25/492379525.db2.gz HTYFQEMUWNYMTI-AWEZNQCLSA-N 2 2 372.429 0.037 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000647925754 492383879 /nfs/dbraw/zinc/38/38/79/492383879.db2.gz WEOZAIRMGWEQTC-CHWSQXEVSA-N 2 2 368.503 0.713 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@@H]1[NH3+] ZINC000647938730 492385780 /nfs/dbraw/zinc/38/57/80/492385780.db2.gz STTHCYLNMZXSSI-ZFWWWQNUSA-N 2 2 368.503 0.901 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@@H]1[NH3+] ZINC000647938730 492385784 /nfs/dbraw/zinc/38/57/84/492385784.db2.gz STTHCYLNMZXSSI-ZFWWWQNUSA-N 2 2 368.503 0.901 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936567 492386064 /nfs/dbraw/zinc/38/60/64/492386064.db2.gz HEPFTFQMNPEBCC-LSDHHAIUSA-N 2 2 362.540 0.222 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936567 492386067 /nfs/dbraw/zinc/38/60/67/492386067.db2.gz HEPFTFQMNPEBCC-LSDHHAIUSA-N 2 2 362.540 0.222 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1CCO ZINC000654994871 492388779 /nfs/dbraw/zinc/38/87/79/492388779.db2.gz ICDPCRNGDYODMU-IYBDPMFKSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H](C)[N@H+]1CCO ZINC000654994871 492388788 /nfs/dbraw/zinc/38/87/88/492388788.db2.gz ICDPCRNGDYODMU-IYBDPMFKSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000654994871 492388793 /nfs/dbraw/zinc/38/87/93/492388793.db2.gz ICDPCRNGDYODMU-IYBDPMFKSA-N 2 2 355.527 0.109 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647971880 492389459 /nfs/dbraw/zinc/38/94/59/492389459.db2.gz XAQZGADSVFZZKN-LSDHHAIUSA-N 2 2 360.458 0.445 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647971880 492389462 /nfs/dbraw/zinc/38/94/62/492389462.db2.gz XAQZGADSVFZZKN-LSDHHAIUSA-N 2 2 360.458 0.445 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c(N2CCCC2)[nH+]1 ZINC000642778922 492389571 /nfs/dbraw/zinc/38/95/71/492389571.db2.gz QFVNFEXRSWIWON-HUUCEWRRSA-N 2 2 359.474 0.815 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]21 ZINC000642797560 492394850 /nfs/dbraw/zinc/39/48/50/492394850.db2.gz JJGVQMXHVXERML-LVQVYYBASA-N 2 2 357.458 0.362 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635124434 492396939 /nfs/dbraw/zinc/39/69/39/492396939.db2.gz YITFCWIIYUJKBQ-CQSZACIVSA-N 2 2 360.462 0.317 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635124434 492396941 /nfs/dbraw/zinc/39/69/41/492396941.db2.gz YITFCWIIYUJKBQ-CQSZACIVSA-N 2 2 360.462 0.317 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000648105700 492398973 /nfs/dbraw/zinc/39/89/73/492398973.db2.gz SPHIHOSMWYFOPK-KGLIPLIRSA-N 2 2 353.488 0.831 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000655074546 492399759 /nfs/dbraw/zinc/39/97/59/492399759.db2.gz JVVSCKOETSHQKN-INIZCTEOSA-N 2 2 354.495 0.156 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CCCNC1=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118690 492402263 /nfs/dbraw/zinc/40/22/63/492402263.db2.gz QTOBYXSELRRTSQ-OAHLLOKOSA-N 2 2 374.489 0.789 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981929 492410230 /nfs/dbraw/zinc/41/02/30/492410230.db2.gz LNBXITQQEDWINX-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981929 492410233 /nfs/dbraw/zinc/41/02/33/492410233.db2.gz LNBXITQQEDWINX-FUHWJXTLSA-N 2 2 358.486 0.978 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000642980081 492410327 /nfs/dbraw/zinc/41/03/27/492410327.db2.gz XWCKLPIQFJSMKE-AWEZNQCLSA-N 2 2 350.488 0.651 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH+]cn2)CC1=O ZINC000643043671 492415356 /nfs/dbraw/zinc/41/53/56/492415356.db2.gz HICWMOKQXPCOIZ-HZPDHXFCSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc[nH+]2)CC1=O ZINC000643043671 492415358 /nfs/dbraw/zinc/41/53/58/492415358.db2.gz HICWMOKQXPCOIZ-HZPDHXFCSA-N 2 2 358.490 0.971 20 0 FCADLP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc21 ZINC000635247673 492422688 /nfs/dbraw/zinc/42/26/88/492422688.db2.gz CQNHDCZBGNEXEO-UHFFFAOYSA-N 2 2 361.446 0.054 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c[nH+]1 ZINC000621841585 492423634 /nfs/dbraw/zinc/42/36/34/492423634.db2.gz XBVSOQPNOPEQPG-KXBFYZLASA-N 2 2 359.474 0.884 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN2C1=O ZINC000643250837 492434851 /nfs/dbraw/zinc/43/48/51/492434851.db2.gz PHXQHIIQRXUCBF-SFHVURJKSA-N 2 2 372.469 0.987 20 0 FCADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN2C1=O ZINC000643250837 492434855 /nfs/dbraw/zinc/43/48/55/492434855.db2.gz PHXQHIIQRXUCBF-SFHVURJKSA-N 2 2 372.469 0.987 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635359751 492438990 /nfs/dbraw/zinc/43/89/90/492438990.db2.gz NDDOWFVUWWRNPI-KRWDZBQOSA-N 2 2 358.490 0.732 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635359751 492438995 /nfs/dbraw/zinc/43/89/95/492438995.db2.gz NDDOWFVUWWRNPI-KRWDZBQOSA-N 2 2 358.490 0.732 20 0 FCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000622025644 492441870 /nfs/dbraw/zinc/44/18/70/492441870.db2.gz VIEDOVPJRHWRFN-RDTXWAMCSA-N 2 2 362.499 0.732 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC[NH2+]C3CC3)c2)CC1 ZINC000655445608 492442882 /nfs/dbraw/zinc/44/28/82/492442882.db2.gz DLVQMBGQWLUSNU-UHFFFAOYSA-N 2 2 366.487 0.703 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446707 492444146 /nfs/dbraw/zinc/44/41/46/492444146.db2.gz IIUCXAYMRURXEG-JXFKEZNVSA-N 2 2 371.485 0.789 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3CCCNC3=O)CC2)CC1 ZINC000643383991 492444547 /nfs/dbraw/zinc/44/45/47/492444547.db2.gz WDYGXLNAMBTWIC-INIZCTEOSA-N 2 2 365.522 0.714 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3CCCNC3=O)CC2)CC1 ZINC000643383991 492444550 /nfs/dbraw/zinc/44/45/50/492444550.db2.gz WDYGXLNAMBTWIC-INIZCTEOSA-N 2 2 365.522 0.714 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551874 492454667 /nfs/dbraw/zinc/45/46/67/492454667.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551874 492454671 /nfs/dbraw/zinc/45/46/71/492454671.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551874 492454673 /nfs/dbraw/zinc/45/46/73/492454673.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551874 492454676 /nfs/dbraw/zinc/45/46/76/492454676.db2.gz GYNHHBGLMNUXQL-IAGOWNOFSA-N 3 2 367.538 0.301 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779153 492454797 /nfs/dbraw/zinc/45/47/97/492454797.db2.gz BTLSSMOIPIWSQM-VQHPVUNQSA-N 2 2 368.522 0.306 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779153 492454802 /nfs/dbraw/zinc/45/48/02/492454802.db2.gz BTLSSMOIPIWSQM-VQHPVUNQSA-N 2 2 368.522 0.306 20 0 FCADLP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551065 492468826 /nfs/dbraw/zinc/46/88/26/492468826.db2.gz JUYPEKGADWPSPG-SFHVURJKSA-N 3 2 366.550 0.972 20 0 FCADLP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551065 492468829 /nfs/dbraw/zinc/46/88/29/492468829.db2.gz JUYPEKGADWPSPG-SFHVURJKSA-N 3 2 366.550 0.972 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000643476991 492474603 /nfs/dbraw/zinc/47/46/03/492474603.db2.gz MBGUEOYVLSJDFW-RTBURBONSA-N 2 2 370.497 0.707 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H](c2ccccc2)C1 ZINC000643478366 492474683 /nfs/dbraw/zinc/47/46/83/492474683.db2.gz MFMKTJBLBJDHPQ-SZMVWBNQSA-N 2 2 356.470 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H](c2ccccc2)C1 ZINC000643478366 492474686 /nfs/dbraw/zinc/47/46/86/492474686.db2.gz MFMKTJBLBJDHPQ-SZMVWBNQSA-N 2 2 356.470 0.712 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000643478772 492475169 /nfs/dbraw/zinc/47/51/69/492475169.db2.gz DXIWBIGVFZVQBN-UHFFFAOYSA-N 2 2 374.485 0.598 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000655734229 492478038 /nfs/dbraw/zinc/47/80/38/492478038.db2.gz CHOLAOLUFQFUBB-INIZCTEOSA-N 2 2 368.503 0.593 20 0 FCADLP O=S(=O)(CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)NCC1CCC1 ZINC000655727769 492478775 /nfs/dbraw/zinc/47/87/75/492478775.db2.gz PWXOTDYYRNBPPG-QGZVFWFLSA-N 2 2 359.536 0.939 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643541674 492495059 /nfs/dbraw/zinc/49/50/59/492495059.db2.gz XKYNTLLKEZYRQZ-CWRNSKLLSA-N 2 2 362.499 0.631 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000643563219 492498344 /nfs/dbraw/zinc/49/83/44/492498344.db2.gz NOXJOJSUPCBVQF-QRQLOZEOSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000643563219 492498347 /nfs/dbraw/zinc/49/83/47/492498347.db2.gz NOXJOJSUPCBVQF-QRQLOZEOSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1C[NH3+] ZINC000643593371 492502473 /nfs/dbraw/zinc/50/24/73/492502473.db2.gz UUDONBVEQBYFCU-ZBFHGGJFSA-N 2 2 364.515 0.978 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643592894 492502802 /nfs/dbraw/zinc/50/28/02/492502802.db2.gz IQRBXLNWZRAXGB-MRXNPFEDSA-N 2 2 364.515 0.993 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000635778714 492504940 /nfs/dbraw/zinc/50/49/40/492504940.db2.gz QOKZAILGLMESNG-UHFFFAOYSA-N 2 2 350.463 0.692 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000649278003 492518511 /nfs/dbraw/zinc/51/85/11/492518511.db2.gz CONYHRADYIUZEA-OKILXGFUSA-N 2 2 366.487 0.689 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000635915172 492525774 /nfs/dbraw/zinc/52/57/74/492525774.db2.gz UFZISYODCDFAJU-HNNXBMFYSA-N 2 2 365.478 0.756 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000635915172 492525777 /nfs/dbraw/zinc/52/57/77/492525777.db2.gz UFZISYODCDFAJU-HNNXBMFYSA-N 2 2 365.478 0.756 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC000635914749 492526804 /nfs/dbraw/zinc/52/68/04/492526804.db2.gz OEVWVOSLUAVPNR-OAHLLOKOSA-N 2 2 364.490 0.516 20 0 FCADLP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000649317816 492531145 /nfs/dbraw/zinc/53/11/45/492531145.db2.gz VPUZMHFWXWHFCW-OAHLLOKOSA-N 2 2 356.430 0.476 20 0 FCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649325979 492534044 /nfs/dbraw/zinc/53/40/44/492534044.db2.gz NIBHMYCPCXJHLI-CABCVRRESA-N 2 2 353.488 0.816 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000649335662 492537853 /nfs/dbraw/zinc/53/78/53/492537853.db2.gz QJUBFYOGMWHESS-IRXDYDNUSA-N 2 2 366.893 0.863 20 0 FCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000649335662 492537858 /nfs/dbraw/zinc/53/78/58/492537858.db2.gz QJUBFYOGMWHESS-IRXDYDNUSA-N 2 2 366.893 0.863 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346732 492541153 /nfs/dbraw/zinc/54/11/53/492541153.db2.gz DYLCLUVAKWXVPV-KBPBESRZSA-N 2 2 358.433 0.386 20 0 FCADLP C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747525 492542538 /nfs/dbraw/zinc/54/25/38/492542538.db2.gz BZPIVFBSIFTQFD-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747525 492542543 /nfs/dbraw/zinc/54/25/43/492542543.db2.gz BZPIVFBSIFTQFD-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000649366312 492548235 /nfs/dbraw/zinc/54/82/35/492548235.db2.gz UVFRKRGXCDVZPW-MSOLQXFVSA-N 3 2 357.458 0.296 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cc1F ZINC000649408757 492551267 /nfs/dbraw/zinc/55/12/67/492551267.db2.gz PXNVLFPMGZSEEA-UHFFFAOYSA-N 2 2 350.438 0.384 20 0 FCADLP C[C@H](CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000623414721 492552703 /nfs/dbraw/zinc/55/27/03/492552703.db2.gz NQBQDPFIXMSNKU-MRXNPFEDSA-N 2 2 354.495 0.603 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H]1c1[nH+]ccn1C ZINC000623467545 492556396 /nfs/dbraw/zinc/55/63/96/492556396.db2.gz NNRQZQCDYCILEZ-KBPBESRZSA-N 2 2 351.451 0.165 20 0 FCADLP CC[N@H+](C)C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151756 492558160 /nfs/dbraw/zinc/55/81/60/492558160.db2.gz GMDAXEKZTNIZCI-SJORKVTESA-N 2 2 360.462 0.559 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000656151756 492558162 /nfs/dbraw/zinc/55/81/62/492558162.db2.gz GMDAXEKZTNIZCI-SJORKVTESA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@@H](O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000656151756 492558166 /nfs/dbraw/zinc/55/81/66/492558166.db2.gz GMDAXEKZTNIZCI-SJORKVTESA-N 2 2 360.462 0.559 20 0 FCADLP CC[NH+](C)C[C@@H](O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000656151756 492558168 /nfs/dbraw/zinc/55/81/68/492558168.db2.gz GMDAXEKZTNIZCI-SJORKVTESA-N 2 2 360.462 0.559 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c[nH+]1 ZINC000656296489 492574765 /nfs/dbraw/zinc/57/47/65/492574765.db2.gz UVAGEBMOEGKIFD-HZPDHXFCSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c[nH+]1 ZINC000656296489 492574767 /nfs/dbraw/zinc/57/47/67/492574767.db2.gz UVAGEBMOEGKIFD-HZPDHXFCSA-N 2 2 359.474 0.897 20 0 FCADLP CNC(=O)C[C@@]1(O)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643817893 492576770 /nfs/dbraw/zinc/57/67/70/492576770.db2.gz DMOLRKGVTJFFHO-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP CNC(=O)C[C@@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000643817893 492576772 /nfs/dbraw/zinc/57/67/72/492576772.db2.gz DMOLRKGVTJFFHO-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H](C)[NH+]1CCOCC1 ZINC000656310950 492584866 /nfs/dbraw/zinc/58/48/66/492584866.db2.gz GZQMVPCFURZJFV-NXOAAHMSSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H](C)[NH+]1CCOCC1 ZINC000656310950 492584869 /nfs/dbraw/zinc/58/48/69/492584869.db2.gz GZQMVPCFURZJFV-NXOAAHMSSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H](CCO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000649867716 492589438 /nfs/dbraw/zinc/58/94/38/492589438.db2.gz QGWMGBNKZKFZRU-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP C[C@@H](CCO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000649867716 492589441 /nfs/dbraw/zinc/58/94/41/492589441.db2.gz QGWMGBNKZKFZRU-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCCn3cc[nH+]c3)C2)cc1 ZINC000636467105 492594271 /nfs/dbraw/zinc/59/42/71/492594271.db2.gz AGCFYVLJVUEMMA-KRWDZBQOSA-N 2 2 355.442 0.698 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCCn3cc[nH+]c3)C2)cc1 ZINC000636467105 492594274 /nfs/dbraw/zinc/59/42/74/492594274.db2.gz AGCFYVLJVUEMMA-KRWDZBQOSA-N 2 2 355.442 0.698 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000643884427 492599521 /nfs/dbraw/zinc/59/95/21/492599521.db2.gz WZZAQJZHJKWJBS-XNJGSVPQSA-N 2 2 353.488 0.682 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564652 492623235 /nfs/dbraw/zinc/62/32/35/492623235.db2.gz GEXGDAKEVHCBCA-ZWKOTPCHSA-N 2 2 362.474 0.426 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000636564652 492623236 /nfs/dbraw/zinc/62/32/36/492623236.db2.gz GEXGDAKEVHCBCA-ZWKOTPCHSA-N 2 2 362.474 0.426 20 0 FCADLP [NH3+]Cc1ccc(-n2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)cc1 ZINC000656459723 492623229 /nfs/dbraw/zinc/62/32/29/492623229.db2.gz BZRARVKCWGYMHK-UHFFFAOYSA-N 2 2 353.430 0.803 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000629419659 492624789 /nfs/dbraw/zinc/62/47/89/492624789.db2.gz QUMBSVARSXPFCJ-QGZVFWFLSA-N 2 2 352.523 0.726 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000656695996 492642227 /nfs/dbraw/zinc/64/22/27/492642227.db2.gz BUWASGLSWQVYLV-GOSISDBHSA-N 2 2 354.539 0.754 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000656695996 492642232 /nfs/dbraw/zinc/64/22/32/492642232.db2.gz BUWASGLSWQVYLV-GOSISDBHSA-N 2 2 354.539 0.754 20 0 FCADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000629554602 492644845 /nfs/dbraw/zinc/64/48/45/492644845.db2.gz MQXSGJVTVDVTPK-INIZCTEOSA-N 2 2 355.504 0.920 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561740 492645297 /nfs/dbraw/zinc/64/52/97/492645297.db2.gz ZCZORRHYDHXAQN-WOJBJXKFSA-N 3 2 374.529 0.930 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561740 492645298 /nfs/dbraw/zinc/64/52/98/492645298.db2.gz ZCZORRHYDHXAQN-WOJBJXKFSA-N 3 2 374.529 0.930 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563484 492645447 /nfs/dbraw/zinc/64/54/47/492645447.db2.gz QXXYBSWZBNPQHO-MELADBBJSA-N 3 2 350.429 0.998 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629563484 492645450 /nfs/dbraw/zinc/64/54/50/492645450.db2.gz QXXYBSWZBNPQHO-MELADBBJSA-N 3 2 350.429 0.998 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629564229 492645502 /nfs/dbraw/zinc/64/55/02/492645502.db2.gz GZFUVJDXHJALSE-UBHSHLNASA-N 2 2 364.412 0.525 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629564229 492645504 /nfs/dbraw/zinc/64/55/04/492645504.db2.gz GZFUVJDXHJALSE-UBHSHLNASA-N 2 2 364.412 0.525 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629564236 492645874 /nfs/dbraw/zinc/64/58/74/492645874.db2.gz GZFUVJDXHJALSE-YUTCNCBUSA-N 2 2 364.412 0.525 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629564236 492645877 /nfs/dbraw/zinc/64/58/77/492645877.db2.gz GZFUVJDXHJALSE-YUTCNCBUSA-N 2 2 364.412 0.525 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000629568571 492647274 /nfs/dbraw/zinc/64/72/74/492647274.db2.gz UHPMISWHFLWQNG-STQMWFEESA-N 2 2 364.412 0.574 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000629568571 492647278 /nfs/dbraw/zinc/64/72/78/492647278.db2.gz UHPMISWHFLWQNG-STQMWFEESA-N 2 2 364.412 0.574 20 0 FCADLP Cc1nn(C)c(=O)c(-c2nc(C[N@H+](C)CCOCC[NH3+])cs2)c1C ZINC000629577912 492654535 /nfs/dbraw/zinc/65/45/35/492654535.db2.gz LFQRZOYXUNNSCK-UHFFFAOYSA-N 2 2 351.476 0.928 20 0 FCADLP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](C)CCOCC[NH3+])cs2)c1C ZINC000629577912 492654537 /nfs/dbraw/zinc/65/45/37/492654537.db2.gz LFQRZOYXUNNSCK-UHFFFAOYSA-N 2 2 351.476 0.928 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644156991 492655306 /nfs/dbraw/zinc/65/53/06/492655306.db2.gz SDQIVCSFEIURFF-CABCVRRESA-N 2 2 362.478 0.254 20 0 FCADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644156991 492655307 /nfs/dbraw/zinc/65/53/07/492655307.db2.gz SDQIVCSFEIURFF-CABCVRRESA-N 2 2 362.478 0.254 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000650643483 492658583 /nfs/dbraw/zinc/65/85/83/492658583.db2.gz FNELVOAKKFUSLL-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000650643483 492658584 /nfs/dbraw/zinc/65/85/84/492658584.db2.gz FNELVOAKKFUSLL-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000636708317 492667969 /nfs/dbraw/zinc/66/79/69/492667969.db2.gz KLISQKLVXQLHLA-CABCVRRESA-N 2 2 365.478 0.621 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000636708317 492667972 /nfs/dbraw/zinc/66/79/72/492667972.db2.gz KLISQKLVXQLHLA-CABCVRRESA-N 2 2 365.478 0.621 20 0 FCADLP CC[NH+]1CCC(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000636709476 492668034 /nfs/dbraw/zinc/66/80/34/492668034.db2.gz ACZIYRJVQFENJU-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP CC[NH+]1CCC(CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000636709476 492668036 /nfs/dbraw/zinc/66/80/36/492668036.db2.gz ACZIYRJVQFENJU-IBGZPJMESA-N 2 2 368.522 0.633 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC000629786087 492671279 /nfs/dbraw/zinc/67/12/79/492671279.db2.gz KNDJVNLKVUSAON-UIFIKXQLSA-N 2 2 370.497 0.960 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[C@@H](c2ccccc2)C1 ZINC000629786087 492671282 /nfs/dbraw/zinc/67/12/82/492671282.db2.gz KNDJVNLKVUSAON-UIFIKXQLSA-N 2 2 370.497 0.960 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000629811180 492684170 /nfs/dbraw/zinc/68/41/70/492684170.db2.gz FJFDIWNHPXDTOQ-XHSDSOJGSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000629811180 492684173 /nfs/dbraw/zinc/68/41/73/492684173.db2.gz FJFDIWNHPXDTOQ-XHSDSOJGSA-N 2 2 354.495 0.010 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000650970974 492689269 /nfs/dbraw/zinc/68/92/69/492689269.db2.gz JKMBBXBBDZBNCF-MRXNPFEDSA-N 2 2 358.527 0.953 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636788940 492693589 /nfs/dbraw/zinc/69/35/89/492693589.db2.gz CMYYUFVOOBFHIU-KDOFPFPSSA-N 2 2 352.479 0.138 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000636788940 492693592 /nfs/dbraw/zinc/69/35/92/492693592.db2.gz CMYYUFVOOBFHIU-KDOFPFPSSA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636788940 492693594 /nfs/dbraw/zinc/69/35/94/492693594.db2.gz CMYYUFVOOBFHIU-KDOFPFPSSA-N 2 2 352.479 0.138 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636788940 492693595 /nfs/dbraw/zinc/69/35/95/492693595.db2.gz CMYYUFVOOBFHIU-KDOFPFPSSA-N 2 2 352.479 0.138 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000629912455 492702823 /nfs/dbraw/zinc/70/28/23/492702823.db2.gz HOFYBILYCNVSMQ-KRWDZBQOSA-N 2 2 371.441 0.708 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000629912455 492702828 /nfs/dbraw/zinc/70/28/28/492702828.db2.gz HOFYBILYCNVSMQ-KRWDZBQOSA-N 2 2 371.441 0.708 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000651221969 492724383 /nfs/dbraw/zinc/72/43/83/492724383.db2.gz HXULXFBMMIFPHL-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000651221969 492724387 /nfs/dbraw/zinc/72/43/87/492724387.db2.gz HXULXFBMMIFPHL-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CO2 ZINC000651231431 492725428 /nfs/dbraw/zinc/72/54/28/492725428.db2.gz JLMCGPLRKRWMEZ-MSOLQXFVSA-N 2 2 361.486 0.995 20 0 FCADLP CCN1C[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313487 492740131 /nfs/dbraw/zinc/74/01/31/492740131.db2.gz DFIOQUNFEWWIPL-RDJZCZTQSA-N 2 2 365.522 0.665 20 0 FCADLP CCN1C[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313487 492740135 /nfs/dbraw/zinc/74/01/35/492740135.db2.gz DFIOQUNFEWWIPL-RDJZCZTQSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000637015080 492749348 /nfs/dbraw/zinc/74/93/48/492749348.db2.gz LGPMDGCTPZGAMR-CVEARBPZSA-N 2 2 351.495 0.467 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000637015084 492750012 /nfs/dbraw/zinc/75/00/12/492750012.db2.gz LGPMDGCTPZGAMR-HZPDHXFCSA-N 2 2 351.495 0.467 20 0 FCADLP [NH3+]Cc1nccn1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000630583503 492753619 /nfs/dbraw/zinc/75/36/19/492753619.db2.gz GSUBBWIQWYFMKW-UHFFFAOYSA-N 2 2 355.442 0.621 20 0 FCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000657529063 492757925 /nfs/dbraw/zinc/75/79/25/492757925.db2.gz HLOHSQYRRMEONG-INIZCTEOSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000630747707 492771717 /nfs/dbraw/zinc/77/17/17/492771717.db2.gz VDOVGHBOTZKNLI-GEEKYZPCSA-N 2 2 358.446 0.815 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)c2cc1C ZINC000644557293 492784461 /nfs/dbraw/zinc/78/44/61/492784461.db2.gz BCSXSVALROJRDS-AWEZNQCLSA-N 2 2 368.503 0.931 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000637217448 492791789 /nfs/dbraw/zinc/79/17/89/492791789.db2.gz UTDWQNMLXRPWRL-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000637217448 492791792 /nfs/dbraw/zinc/79/17/92/492791792.db2.gz UTDWQNMLXRPWRL-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000637217448 492791797 /nfs/dbraw/zinc/79/17/97/492791797.db2.gz UTDWQNMLXRPWRL-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000637217448 492791802 /nfs/dbraw/zinc/79/18/02/492791802.db2.gz UTDWQNMLXRPWRL-VQIMIIECSA-N 2 2 368.522 0.633 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262459 492801780 /nfs/dbraw/zinc/80/17/80/492801780.db2.gz FNWHEMBEWVYMCR-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262459 492801783 /nfs/dbraw/zinc/80/17/83/492801783.db2.gz FNWHEMBEWVYMCR-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000637262459 492801785 /nfs/dbraw/zinc/80/17/85/492801785.db2.gz FNWHEMBEWVYMCR-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000637262459 492801788 /nfs/dbraw/zinc/80/17/88/492801788.db2.gz FNWHEMBEWVYMCR-HNAYVOBHSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637340699 492810077 /nfs/dbraw/zinc/81/00/77/492810077.db2.gz VOZPWSTXHAYHFN-HNNXBMFYSA-N 2 2 351.495 0.467 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CCOCC3)CC2)CC1 ZINC000625549138 492817550 /nfs/dbraw/zinc/81/75/50/492817550.db2.gz JUXQPXMBRDMXMR-UHFFFAOYSA-N 2 2 352.523 0.772 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2cnnn2-c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000651752617 492818328 /nfs/dbraw/zinc/81/83/28/492818328.db2.gz NADIWUQXWYZLJU-MRXNPFEDSA-N 2 2 370.457 0.290 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)N3CCCOCC3)CC2)CC1 ZINC000651753051 492818390 /nfs/dbraw/zinc/81/83/90/492818390.db2.gz BPPVMLXLPKGKAQ-UHFFFAOYSA-N 2 2 374.551 0.446 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)N3CCCOCC3)CC2)CC1 ZINC000651753051 492818391 /nfs/dbraw/zinc/81/83/91/492818391.db2.gz BPPVMLXLPKGKAQ-UHFFFAOYSA-N 2 2 374.551 0.446 20 0 FCADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000631719804 492839682 /nfs/dbraw/zinc/83/96/82/492839682.db2.gz AEDHTYOSZKNXTJ-UHFFFAOYSA-N 2 2 368.503 0.824 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000631839420 492860130 /nfs/dbraw/zinc/86/01/30/492860130.db2.gz GDKGVLLNAIZJOB-VNHYZAJKSA-N 2 2 350.438 0.646 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000631839420 492860134 /nfs/dbraw/zinc/86/01/34/492860134.db2.gz GDKGVLLNAIZJOB-VNHYZAJKSA-N 2 2 350.438 0.646 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000631860377 492865783 /nfs/dbraw/zinc/86/57/83/492865783.db2.gz JYFRQPPJUFHRMJ-MAUKXSAKSA-N 2 2 358.486 0.687 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)[C@H]1c1[nH+]ccn1C ZINC000637846078 492871553 /nfs/dbraw/zinc/87/15/53/492871553.db2.gz AUHQZHWHKWJTFZ-SDADXPQNSA-N 2 2 363.462 0.294 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658422740 492882686 /nfs/dbraw/zinc/88/26/86/492882686.db2.gz GBTWMXCMPYGUMX-CYBMUJFWSA-N 2 2 363.462 0.622 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652128004 492883830 /nfs/dbraw/zinc/88/38/30/492883830.db2.gz LQCWBXUNPVEXOW-TWMKSMIVSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000658427075 492885316 /nfs/dbraw/zinc/88/53/16/492885316.db2.gz XXZZDUPHHPFAMA-GJZGRUSLSA-N 2 2 362.474 0.912 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000658427075 492885320 /nfs/dbraw/zinc/88/53/20/492885320.db2.gz XXZZDUPHHPFAMA-GJZGRUSLSA-N 2 2 362.474 0.912 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801765 492889293 /nfs/dbraw/zinc/88/92/93/492889293.db2.gz KYTBJOZZHWOLGC-XRGAULLZSA-N 2 2 363.462 0.307 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625801765 492889296 /nfs/dbraw/zinc/88/92/96/492889296.db2.gz KYTBJOZZHWOLGC-XRGAULLZSA-N 2 2 363.462 0.307 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[NH+]1CCOCC1 ZINC000645301642 492890955 /nfs/dbraw/zinc/89/09/55/492890955.db2.gz CWLRHLHYVYPTEI-ZBFHGGJFSA-N 2 2 350.467 0.117 20 0 FCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000638055315 492897807 /nfs/dbraw/zinc/89/78/07/492897807.db2.gz KJJJIZZOVBKLFC-YLJYHZDGSA-N 2 2 374.485 0.973 20 0 FCADLP CC[NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000638081257 492902244 /nfs/dbraw/zinc/90/22/44/492902244.db2.gz KFANQCZZWHETBG-ZDUSSCGKSA-N 2 2 354.476 0.559 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)CC1 ZINC000645407743 492902751 /nfs/dbraw/zinc/90/27/51/492902751.db2.gz YASOEFXILKXSCO-BHYGNILZSA-N 2 2 374.485 0.222 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)CC1 ZINC000645407743 492902753 /nfs/dbraw/zinc/90/27/53/492902753.db2.gz YASOEFXILKXSCO-BHYGNILZSA-N 2 2 374.485 0.222 20 0 FCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000638104412 492907295 /nfs/dbraw/zinc/90/72/95/492907295.db2.gz ZKKNBFIUNFSJTH-WZGPROSRSA-N 2 2 361.486 0.977 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625993168 492911970 /nfs/dbraw/zinc/91/19/70/492911970.db2.gz KYGUVXSUJTWZPZ-IBGZPJMESA-N 2 2 350.507 0.825 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)c3cnc(C[NH3+])nc3)CC2)cc(OC)c1 ZINC000638130526 492912745 /nfs/dbraw/zinc/91/27/45/492912745.db2.gz HITUHCXHLVFNGE-UHFFFAOYSA-N 2 2 371.441 0.911 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000638133712 492914107 /nfs/dbraw/zinc/91/41/07/492914107.db2.gz XGIWTNPHZMYNOZ-CRAIPNDOSA-N 2 2 374.485 0.850 20 0 FCADLP Cn1cc(C[NH+]2CCN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC2)cn1 ZINC000638139094 492917258 /nfs/dbraw/zinc/91/72/58/492917258.db2.gz CSTDMQGCXPJHNK-UHFFFAOYSA-N 2 2 353.470 0.953 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658514139 492922313 /nfs/dbraw/zinc/92/23/13/492922313.db2.gz HPFDUWAMXJDFCW-WBVHZDCISA-N 2 2 366.506 0.108 20 0 FCADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000658515459 492923224 /nfs/dbraw/zinc/92/32/24/492923224.db2.gz CGBFDPFMFUIBJK-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658532481 492932664 /nfs/dbraw/zinc/93/26/64/492932664.db2.gz FVOPUHAFVVEELT-HNNXBMFYSA-N 2 2 370.413 0.139 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638320141 492934459 /nfs/dbraw/zinc/93/44/59/492934459.db2.gz XDDJZAUVGPAARM-BQFCYCMXSA-N 2 2 367.469 0.546 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638320141 492934462 /nfs/dbraw/zinc/93/44/62/492934462.db2.gz XDDJZAUVGPAARM-BQFCYCMXSA-N 2 2 367.469 0.546 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C[NH+](C)C ZINC000658536180 492935582 /nfs/dbraw/zinc/93/55/82/492935582.db2.gz LFMGLQPZQKQGNT-GOSISDBHSA-N 2 2 374.485 0.928 20 0 FCADLP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000632161219 492941309 /nfs/dbraw/zinc/94/13/09/492941309.db2.gz TYPVYICLTKZGII-HOTGVXAUSA-N 2 2 358.552 0.368 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638528369 492958228 /nfs/dbraw/zinc/95/82/28/492958228.db2.gz BNLWBRGWFDGGGM-HNNXBMFYSA-N 2 2 372.477 0.683 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638558235 492960257 /nfs/dbraw/zinc/96/02/57/492960257.db2.gz WEMJBJYCQIYXLW-NWDGAFQWSA-N 2 2 352.401 0.429 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638558235 492960260 /nfs/dbraw/zinc/96/02/60/492960260.db2.gz WEMJBJYCQIYXLW-NWDGAFQWSA-N 2 2 352.401 0.429 20 0 FCADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652527846 492962080 /nfs/dbraw/zinc/96/20/80/492962080.db2.gz BUCQAHVPVSVGAX-SFHVURJKSA-N 2 2 360.502 0.782 20 0 FCADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652527846 492962082 /nfs/dbraw/zinc/96/20/82/492962082.db2.gz BUCQAHVPVSVGAX-SFHVURJKSA-N 2 2 360.502 0.782 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000638619658 492966830 /nfs/dbraw/zinc/96/68/30/492966830.db2.gz VMYAQOHAMVIMLH-MRXNPFEDSA-N 2 2 357.414 0.630 20 0 FCADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000632307426 492969128 /nfs/dbraw/zinc/96/91/28/492969128.db2.gz DANBLEZGNUCPAG-KRWDZBQOSA-N 2 2 359.536 0.846 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000652611057 492970546 /nfs/dbraw/zinc/97/05/46/492970546.db2.gz WIMFQFLCLHFJJL-UHFFFAOYSA-N 2 2 366.462 0.837 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000638753305 492976363 /nfs/dbraw/zinc/97/63/63/492976363.db2.gz UYHICNAIAPTDHP-GOSISDBHSA-N 2 2 370.457 0.575 20 0 FCADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@]12CCCO2 ZINC000638872866 492983790 /nfs/dbraw/zinc/98/37/90/492983790.db2.gz ZERBLRPSYPOERV-YWTNHNAXSA-N 2 2 367.490 0.236 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2)cc1 ZINC000639006536 492991737 /nfs/dbraw/zinc/99/17/37/492991737.db2.gz WPIXROQAMPSKGC-CVEARBPZSA-N 2 2 353.488 0.448 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2)cc1 ZINC000639006536 492991742 /nfs/dbraw/zinc/99/17/42/492991742.db2.gz WPIXROQAMPSKGC-CVEARBPZSA-N 2 2 353.488 0.448 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652704853 492995500 /nfs/dbraw/zinc/99/55/00/492995500.db2.gz UZVWJGNZVGAGBF-LJQANCHMSA-N 2 2 370.497 0.798 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652704853 492995503 /nfs/dbraw/zinc/99/55/03/492995503.db2.gz UZVWJGNZVGAGBF-LJQANCHMSA-N 2 2 370.497 0.798 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000632458040 493001837 /nfs/dbraw/zinc/00/18/37/493001837.db2.gz UVTFMLKAMUGEFA-ZNMIVQPWSA-N 2 2 363.462 0.468 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000632458040 493001841 /nfs/dbraw/zinc/00/18/41/493001841.db2.gz UVTFMLKAMUGEFA-ZNMIVQPWSA-N 2 2 363.462 0.468 20 0 FCADLP O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000652723863 493004465 /nfs/dbraw/zinc/00/44/65/493004465.db2.gz NVIUPIHFQZQXEP-UHFFFAOYSA-N 2 2 364.515 0.898 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485310 493013808 /nfs/dbraw/zinc/01/38/08/493013808.db2.gz OXBWRMLNVVPISD-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639485310 493013811 /nfs/dbraw/zinc/01/38/11/493013811.db2.gz OXBWRMLNVVPISD-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639485310 493013813 /nfs/dbraw/zinc/01/38/13/493013813.db2.gz OXBWRMLNVVPISD-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639485310 493013815 /nfs/dbraw/zinc/01/38/15/493013815.db2.gz OXBWRMLNVVPISD-ZWKOTPCHSA-N 2 2 367.515 0.637 20 0 FCADLP COCCOCC[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632514237 493019117 /nfs/dbraw/zinc/01/91/17/493019117.db2.gz FRQFZRMLRMPZSH-UHFFFAOYSA-N 2 2 363.524 0.083 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632522521 493020272 /nfs/dbraw/zinc/02/02/72/493020272.db2.gz GBZIWIGECOIOPG-UHFFFAOYSA-N 2 2 362.540 0.190 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558894 493020414 /nfs/dbraw/zinc/02/04/14/493020414.db2.gz JMMHRPWRGNRZRL-SJORKVTESA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558894 493020415 /nfs/dbraw/zinc/02/04/15/493020415.db2.gz JMMHRPWRGNRZRL-SJORKVTESA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639558894 493020417 /nfs/dbraw/zinc/02/04/17/493020417.db2.gz JMMHRPWRGNRZRL-SJORKVTESA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639558894 493020420 /nfs/dbraw/zinc/02/04/20/493020420.db2.gz JMMHRPWRGNRZRL-SJORKVTESA-N 2 2 353.488 0.376 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000632576478 493033303 /nfs/dbraw/zinc/03/33/03/493033303.db2.gz RMHPKJFSCIQBIT-UHFFFAOYSA-N 2 2 363.462 0.472 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701660 493033267 /nfs/dbraw/zinc/03/32/67/493033267.db2.gz HUIXSQIWCFOAIQ-RDJZCZTQSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)ccn1 ZINC000639701660 493033271 /nfs/dbraw/zinc/03/32/71/493033271.db2.gz HUIXSQIWCFOAIQ-RDJZCZTQSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000639701660 493033273 /nfs/dbraw/zinc/03/32/73/493033273.db2.gz HUIXSQIWCFOAIQ-RDJZCZTQSA-N 2 2 364.490 0.986 20 0 FCADLP CNC(=O)c1cc(O[C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000639701660 493033275 /nfs/dbraw/zinc/03/32/75/493033275.db2.gz HUIXSQIWCFOAIQ-RDJZCZTQSA-N 2 2 364.490 0.986 20 0 FCADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)ccc1Cl ZINC000626882045 493047854 /nfs/dbraw/zinc/04/78/54/493047854.db2.gz DJNMJOOODBUVLV-ZDUSSCGKSA-N 2 2 354.838 0.445 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459200 493050797 /nfs/dbraw/zinc/05/07/97/493050797.db2.gz NUTGUSIKTWOUDG-FQEVSTJZSA-N 2 2 372.513 0.593 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459200 493050800 /nfs/dbraw/zinc/05/08/00/493050800.db2.gz NUTGUSIKTWOUDG-FQEVSTJZSA-N 2 2 372.513 0.593 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459200 493050802 /nfs/dbraw/zinc/05/08/02/493050802.db2.gz NUTGUSIKTWOUDG-FQEVSTJZSA-N 2 2 372.513 0.593 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)CC1 ZINC000646459200 493050805 /nfs/dbraw/zinc/05/08/05/493050805.db2.gz NUTGUSIKTWOUDG-FQEVSTJZSA-N 2 2 372.513 0.593 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000632656579 493059294 /nfs/dbraw/zinc/05/92/94/493059294.db2.gz VIJJIRRPPFVCPZ-MRXNPFEDSA-N 2 2 355.442 0.753 20 0 FCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000632656579 493059300 /nfs/dbraw/zinc/05/93/00/493059300.db2.gz VIJJIRRPPFVCPZ-MRXNPFEDSA-N 2 2 355.442 0.753 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626929232 493065690 /nfs/dbraw/zinc/06/56/90/493065690.db2.gz RCEYQORARGOMJT-HNNXBMFYSA-N 2 2 354.418 0.502 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000653069898 493066189 /nfs/dbraw/zinc/06/61/89/493066189.db2.gz BRHIFPMUKCNTNR-INIZCTEOSA-N 2 2 368.441 0.762 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626934454 493066578 /nfs/dbraw/zinc/06/65/78/493066578.db2.gz FZVVVSOSOXYQSX-AGIUHOORSA-N 2 2 352.401 0.876 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000626936478 493067581 /nfs/dbraw/zinc/06/75/81/493067581.db2.gz KNZOFQSJLPMGFL-INIZCTEOSA-N 2 2 365.453 0.235 20 0 FCADLP CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653094419 493069749 /nfs/dbraw/zinc/06/97/49/493069749.db2.gz FADLQWFXUUHGRY-CYBMUJFWSA-N 2 2 372.491 0.553 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626970698 493072205 /nfs/dbraw/zinc/07/22/05/493072205.db2.gz UAJLTRRJYGRVOU-FRRDWIJNSA-N 2 2 352.401 0.876 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626970698 493072206 /nfs/dbraw/zinc/07/22/06/493072206.db2.gz UAJLTRRJYGRVOU-FRRDWIJNSA-N 2 2 352.401 0.876 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653116577 493072488 /nfs/dbraw/zinc/07/24/88/493072488.db2.gz MBXNSILJUYTJQH-SJORKVTESA-N 2 2 371.485 0.930 20 0 FCADLP CN(C(=O)CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1)C1CCCCC1 ZINC000653116495 493073174 /nfs/dbraw/zinc/07/31/74/493073174.db2.gz JCRFJHPAIKQACP-QGZVFWFLSA-N 2 2 367.538 0.201 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000653154475 493079128 /nfs/dbraw/zinc/07/91/28/493079128.db2.gz SYLSRLPVGCGSNP-ZIAGYGMSSA-N 2 2 372.391 0.984 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1Cl ZINC000640048757 493079678 /nfs/dbraw/zinc/07/96/78/493079678.db2.gz CVXSXNBRWJRCOM-CQSZACIVSA-N 2 2 355.866 0.786 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1Cl ZINC000640048757 493079680 /nfs/dbraw/zinc/07/96/80/493079680.db2.gz CVXSXNBRWJRCOM-CQSZACIVSA-N 2 2 355.866 0.786 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640051498 493081473 /nfs/dbraw/zinc/08/14/73/493081473.db2.gz OGWNTIHSCITVRY-MRXNPFEDSA-N 2 2 352.523 0.977 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640051498 493081474 /nfs/dbraw/zinc/08/14/74/493081474.db2.gz OGWNTIHSCITVRY-MRXNPFEDSA-N 2 2 352.523 0.977 20 0 FCADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cnn(CC[NH+](C)C)c2)cn1 ZINC000632923510 493097139 /nfs/dbraw/zinc/09/71/39/493097139.db2.gz RBFCJNXTEOWCHG-UHFFFAOYSA-N 2 2 370.461 0.717 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000632934314 493097699 /nfs/dbraw/zinc/09/76/99/493097699.db2.gz QGMRCTRZGVRDAA-GASCZTMLSA-N 2 2 350.467 0.854 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000633032493 493107154 /nfs/dbraw/zinc/10/71/54/493107154.db2.gz BRQSTTOZLVXPMG-UHFFFAOYSA-N 2 2 372.477 0.612 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833755 493108268 /nfs/dbraw/zinc/10/82/68/493108268.db2.gz QJYMGEQIQKCSKH-CJNGLKHVSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833755 493108269 /nfs/dbraw/zinc/10/82/69/493108269.db2.gz QJYMGEQIQKCSKH-CJNGLKHVSA-N 2 2 354.401 0.633 20 0 FCADLP CCOc1ccccc1[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])NC(C)=O ZINC000646833220 493108307 /nfs/dbraw/zinc/10/83/07/493108307.db2.gz QPONSJASAJRDJC-WBVHZDCISA-N 2 2 362.474 0.754 20 0 FCADLP CCOc1ccccc1[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])NC(C)=O ZINC000646833220 493108310 /nfs/dbraw/zinc/10/83/10/493108310.db2.gz QPONSJASAJRDJC-WBVHZDCISA-N 2 2 362.474 0.754 20 0 FCADLP COc1cc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000646835522 493109822 /nfs/dbraw/zinc/10/98/22/493109822.db2.gz XTMISICASISEIB-AWEZNQCLSA-N 2 2 351.447 0.746 20 0 FCADLP COc1cc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000646835522 493109825 /nfs/dbraw/zinc/10/98/25/493109825.db2.gz XTMISICASISEIB-AWEZNQCLSA-N 2 2 351.447 0.746 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000627227216 493110580 /nfs/dbraw/zinc/11/05/80/493110580.db2.gz FGXJZFFAPKIQIW-HNNXBMFYSA-N 2 2 359.434 0.433 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530339 493113013 /nfs/dbraw/zinc/11/30/13/493113013.db2.gz CKJDCMRBXFDHRQ-CVEARBPZSA-N 2 2 359.536 0.876 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530339 493113018 /nfs/dbraw/zinc/11/30/18/493113018.db2.gz CKJDCMRBXFDHRQ-CVEARBPZSA-N 2 2 359.536 0.876 20 0 FCADLP Cn1c2[nH]c(C[N@H+](C)CCCC[NH+]3CCCCC3)nc2c(=O)n(C)c1=O ZINC000640532301 493113450 /nfs/dbraw/zinc/11/34/50/493113450.db2.gz CZMKKBSXEBJXBD-UHFFFAOYSA-N 2 2 362.478 0.658 20 0 FCADLP Cn1c2[nH]c(C[N@@H+](C)CCCC[NH+]3CCCCC3)nc2c(=O)n(C)c1=O ZINC000640532301 493113453 /nfs/dbraw/zinc/11/34/53/493113453.db2.gz CZMKKBSXEBJXBD-UHFFFAOYSA-N 2 2 362.478 0.658 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)CC1 ZINC000640562640 493117073 /nfs/dbraw/zinc/11/70/73/493117073.db2.gz JPYATPLPMXLLPK-HOCLYGCPSA-N 2 2 359.392 0.885 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)n1C ZINC000653394499 493117791 /nfs/dbraw/zinc/11/77/91/493117791.db2.gz DBBBLTGHOGLSOE-UHFFFAOYSA-N 2 2 350.467 0.047 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000653398760 493120452 /nfs/dbraw/zinc/12/04/52/493120452.db2.gz QUFWWTBDGCXBJT-ZMSDIMECSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000653398760 493120458 /nfs/dbraw/zinc/12/04/58/493120458.db2.gz QUFWWTBDGCXBJT-ZMSDIMECSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH2+]Cc1cn(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)nn1 ZINC000640878351 493145149 /nfs/dbraw/zinc/14/51/49/493145149.db2.gz UWURLMLHTNFVMK-UHFFFAOYSA-N 2 2 362.865 0.995 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659095113 493149813 /nfs/dbraw/zinc/14/98/13/493149813.db2.gz YEOJDTYUVLFOMC-KGLIPLIRSA-N 2 2 360.458 0.496 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659095113 493149816 /nfs/dbraw/zinc/14/98/16/493149816.db2.gz YEOJDTYUVLFOMC-KGLIPLIRSA-N 2 2 360.458 0.496 20 0 FCADLP CC(C)O[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000647035144 493149906 /nfs/dbraw/zinc/14/99/06/493149906.db2.gz XRHWHTJZYRWYEP-DOTOQJQBSA-N 2 2 366.506 0.297 20 0 FCADLP O=C(Cn1cc(Cn2cc[nH+]c2)nn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000640952656 493152917 /nfs/dbraw/zinc/15/29/17/493152917.db2.gz CXWWUPJUVWPIJV-UHFFFAOYSA-N 2 2 371.470 0.929 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000653497750 493155453 /nfs/dbraw/zinc/15/54/53/493155453.db2.gz WADPNMTYRAROCU-FUHWJXTLSA-N 2 2 355.523 0.896 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000653497750 493155456 /nfs/dbraw/zinc/15/54/56/493155456.db2.gz WADPNMTYRAROCU-FUHWJXTLSA-N 2 2 355.523 0.896 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000659432946 493175851 /nfs/dbraw/zinc/17/58/51/493175851.db2.gz WDGHUARSUVXUJS-UHFFFAOYSA-N 2 2 357.418 0.636 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)c[nH+]2)CCO1 ZINC000659432711 493176250 /nfs/dbraw/zinc/17/62/50/493176250.db2.gz KUGQHWDDWAMIGU-BPLDGKMQSA-N 2 2 351.426 0.887 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641174840 493177025 /nfs/dbraw/zinc/17/70/25/493177025.db2.gz XWLDOEUEOAPEPJ-CQSZACIVSA-N 2 2 371.485 0.784 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc(CN4CC[NH2+]CC4)nn3)c2cc1C ZINC000641213119 493181639 /nfs/dbraw/zinc/18/16/39/493181639.db2.gz BDEXQLYZNMHZNZ-QGZVFWFLSA-N 2 2 369.473 0.711 20 0 FCADLP C[NH2+][C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000659303266 493187479 /nfs/dbraw/zinc/18/74/79/493187479.db2.gz NKDBWZLVEDCVSR-AWEZNQCLSA-N 2 2 359.257 0.802 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627385308 493192952 /nfs/dbraw/zinc/19/29/52/493192952.db2.gz HBQMMXWGEGRAMM-IJLUTSLNSA-N 2 2 361.368 0.374 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345066 493195501 /nfs/dbraw/zinc/19/55/01/493195501.db2.gz WOOWQXWEOHPWTP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000659345066 493195503 /nfs/dbraw/zinc/19/55/03/493195503.db2.gz WOOWQXWEOHPWTP-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CN(C(=O)C(=O)N1CCSCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659345036 493195671 /nfs/dbraw/zinc/19/56/71/493195671.db2.gz SMEUQKWYUYHYLQ-OAHLLOKOSA-N 2 2 354.520 0.189 20 0 FCADLP CN(C(=O)C(=O)N1CCSCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659345036 493195673 /nfs/dbraw/zinc/19/56/73/493195673.db2.gz SMEUQKWYUYHYLQ-OAHLLOKOSA-N 2 2 354.520 0.189 20 0 FCADLP C[NH+](C)CCOc1ccc(CCNS(=O)(=O)CCn2cc[nH+]c2)cc1 ZINC000641317572 493207872 /nfs/dbraw/zinc/20/78/72/493207872.db2.gz AFKYGQCJQAEPBA-UHFFFAOYSA-N 2 2 366.487 0.986 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000666691992 493216723 /nfs/dbraw/zinc/21/67/23/493216723.db2.gz ILAHNYFVVKGQQN-SFHVURJKSA-N 2 2 372.469 0.594 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637650 493220765 /nfs/dbraw/zinc/22/07/65/493220765.db2.gz LSWHMPAHGSPDEF-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672637650 493220769 /nfs/dbraw/zinc/22/07/69/493220769.db2.gz LSWHMPAHGSPDEF-NVXWUHKLSA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639844 493222120 /nfs/dbraw/zinc/22/21/20/493222120.db2.gz RVZZCUIAAYHMOT-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639844 493222122 /nfs/dbraw/zinc/22/21/22/493222122.db2.gz RVZZCUIAAYHMOT-INIZCTEOSA-N 2 2 366.506 0.156 20 0 FCADLP CCCCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639896 493222279 /nfs/dbraw/zinc/22/22/79/493222279.db2.gz OLFKPAFIOBJFAS-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCN(CCOC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639896 493222282 /nfs/dbraw/zinc/22/22/82/493222282.db2.gz OLFKPAFIOBJFAS-INIZCTEOSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000666755634 493222524 /nfs/dbraw/zinc/22/25/24/493222524.db2.gz BPEIDBZYPSUSOD-HNNXBMFYSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000666755635 493222713 /nfs/dbraw/zinc/22/27/13/493222713.db2.gz BPEIDBZYPSUSOD-OAHLLOKOSA-N 2 2 353.511 0.698 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3CCO)C2)CC1 ZINC000672641363 493224585 /nfs/dbraw/zinc/22/45/85/493224585.db2.gz QHLFOXBCTJTEAR-WBVHZDCISA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3CCO)C2)CC1 ZINC000672641363 493224587 /nfs/dbraw/zinc/22/45/87/493224587.db2.gz QHLFOXBCTJTEAR-WBVHZDCISA-N 2 2 366.506 0.035 20 0 FCADLP CCOC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640279 493225030 /nfs/dbraw/zinc/22/50/30/493225030.db2.gz YSTFYXVYKOMAGL-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP CCOC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640279 493225033 /nfs/dbraw/zinc/22/50/33/493225033.db2.gz YSTFYXVYKOMAGL-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](c1ccccn1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642134 493225723 /nfs/dbraw/zinc/22/57/23/493225723.db2.gz YNFOBBPXPISUPI-CVEARBPZSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](c1ccccn1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642134 493225726 /nfs/dbraw/zinc/22/57/26/493225726.db2.gz YNFOBBPXPISUPI-CVEARBPZSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642135 493226112 /nfs/dbraw/zinc/22/61/12/493226112.db2.gz YNFOBBPXPISUPI-HOTGVXAUSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1ccccn1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642135 493226114 /nfs/dbraw/zinc/22/61/14/493226114.db2.gz YNFOBBPXPISUPI-HOTGVXAUSA-N 2 2 373.501 0.886 20 0 FCADLP CCN(Cc1ccoc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641893 493226717 /nfs/dbraw/zinc/22/67/17/493226717.db2.gz ZTDMWUAWCFGZKE-INIZCTEOSA-N 2 2 362.474 0.913 20 0 FCADLP CCN(Cc1ccoc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641893 493226718 /nfs/dbraw/zinc/22/67/18/493226718.db2.gz ZTDMWUAWCFGZKE-INIZCTEOSA-N 2 2 362.474 0.913 20 0 FCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643387 493228230 /nfs/dbraw/zinc/22/82/30/493228230.db2.gz WXAIYSWHLPYICJ-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C[C@H]1CCCCO1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643387 493228234 /nfs/dbraw/zinc/22/82/34/493228234.db2.gz WXAIYSWHLPYICJ-DOTOQJQBSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000672693427 493233740 /nfs/dbraw/zinc/23/37/40/493233740.db2.gz WIOGLEULXNTCCD-HZPDHXFCSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672708118 493237535 /nfs/dbraw/zinc/23/75/35/493237535.db2.gz CJXCVLGEPUCHDW-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672708118 493237536 /nfs/dbraw/zinc/23/75/36/493237536.db2.gz CJXCVLGEPUCHDW-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000672708118 493237539 /nfs/dbraw/zinc/23/75/39/493237539.db2.gz CJXCVLGEPUCHDW-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000672708118 493237542 /nfs/dbraw/zinc/23/75/42/493237542.db2.gz CJXCVLGEPUCHDW-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672705568 493237792 /nfs/dbraw/zinc/23/77/92/493237792.db2.gz GFDCVTVGBIXFCB-HOTGVXAUSA-N 2 2 370.538 0.972 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672705568 493237795 /nfs/dbraw/zinc/23/77/95/493237795.db2.gz GFDCVTVGBIXFCB-HOTGVXAUSA-N 2 2 370.538 0.972 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)CO1 ZINC000666978640 493245540 /nfs/dbraw/zinc/24/55/40/493245540.db2.gz AJQJKOAPIDMTOR-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)CO1 ZINC000666978640 493245543 /nfs/dbraw/zinc/24/55/43/493245543.db2.gz AJQJKOAPIDMTOR-INMHGKMJSA-N 2 2 354.495 0.648 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000659685536 493252481 /nfs/dbraw/zinc/25/24/81/493252481.db2.gz QPFDSEJQNKVHQA-OWCLPIDISA-N 2 2 354.495 0.045 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[NH+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874812 493261625 /nfs/dbraw/zinc/26/16/25/493261625.db2.gz KQMLXFDHZALGQQ-INIZCTEOSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874812 493261627 /nfs/dbraw/zinc/26/16/27/493261627.db2.gz KQMLXFDHZALGQQ-INIZCTEOSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874812 493261629 /nfs/dbraw/zinc/26/16/29/493261629.db2.gz KQMLXFDHZALGQQ-INIZCTEOSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000672874812 493261632 /nfs/dbraw/zinc/26/16/32/493261632.db2.gz KQMLXFDHZALGQQ-INIZCTEOSA-N 3 2 367.538 0.253 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000641666701 493273975 /nfs/dbraw/zinc/27/39/75/493273975.db2.gz ITYMOJULFVIGCS-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000641666701 493273977 /nfs/dbraw/zinc/27/39/77/493273977.db2.gz ITYMOJULFVIGCS-SJORKVTESA-N 2 2 361.490 0.358 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)NCC[NH2+]C2CC2)c1)[NH+]1CCOCC1 ZINC000667296677 493274526 /nfs/dbraw/zinc/27/45/26/493274526.db2.gz UNCXKELQRTVFOY-CQSZACIVSA-N 2 2 360.458 0.887 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000682227530 493280568 /nfs/dbraw/zinc/28/05/68/493280568.db2.gz UCEZJKUKGQATDQ-OAHLLOKOSA-N 2 2 362.478 0.294 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000682227530 493280571 /nfs/dbraw/zinc/28/05/71/493280571.db2.gz UCEZJKUKGQATDQ-OAHLLOKOSA-N 2 2 362.478 0.294 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000659750662 493286105 /nfs/dbraw/zinc/28/61/05/493286105.db2.gz PDSGKEXFJBRBBY-LSDHHAIUSA-N 2 2 362.474 0.625 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000667517516 493288003 /nfs/dbraw/zinc/28/80/03/493288003.db2.gz PGYWQFUWOUEJCQ-GOSISDBHSA-N 2 2 374.485 0.914 20 0 FCADLP CN(C(=O)C(=O)NCCCC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673088056 493289209 /nfs/dbraw/zinc/28/92/09/493289209.db2.gz MRAGMYVYCVUORM-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP CN(C(=O)C(=O)NCCCC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673088056 493289213 /nfs/dbraw/zinc/28/92/13/493289213.db2.gz MRAGMYVYCVUORM-KRWDZBQOSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659877366 493297144 /nfs/dbraw/zinc/29/71/44/493297144.db2.gz FAPNMZFQKNPOSW-UHFFFAOYSA-N 2 2 351.499 0.457 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673180951 493300139 /nfs/dbraw/zinc/30/01/39/493300139.db2.gz KLGJWCNKAFTMSR-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673180951 493300140 /nfs/dbraw/zinc/30/01/40/493300140.db2.gz KLGJWCNKAFTMSR-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000673223650 493304698 /nfs/dbraw/zinc/30/46/98/493304698.db2.gz DSTWJGLAJGRQKJ-JKSUJKDBSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673286536 493312024 /nfs/dbraw/zinc/31/20/24/493312024.db2.gz WHNTZPOQNWMIJB-MAUKXSAKSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673286536 493312025 /nfs/dbraw/zinc/31/20/25/493312025.db2.gz WHNTZPOQNWMIJB-MAUKXSAKSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673286535 493312811 /nfs/dbraw/zinc/31/28/11/493312811.db2.gz WHNTZPOQNWMIJB-CRAIPNDOSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673286535 493312812 /nfs/dbraw/zinc/31/28/12/493312812.db2.gz WHNTZPOQNWMIJB-CRAIPNDOSA-N 2 2 374.485 0.468 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000673288638 493313089 /nfs/dbraw/zinc/31/30/89/493313089.db2.gz OCNBKIBQVVGARK-INIZCTEOSA-N 2 2 362.499 0.454 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000673288638 493313092 /nfs/dbraw/zinc/31/30/92/493313092.db2.gz OCNBKIBQVVGARK-INIZCTEOSA-N 2 2 362.499 0.454 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000673304184 493315744 /nfs/dbraw/zinc/31/57/44/493315744.db2.gz PSOWPUGQDCYFMZ-IAGOWNOFSA-N 2 2 371.485 0.863 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842232 493374000 /nfs/dbraw/zinc/37/40/00/493374000.db2.gz SAKPHGZWXLHBMP-ZOBUZTSGSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842232 493374001 /nfs/dbraw/zinc/37/40/01/493374001.db2.gz SAKPHGZWXLHBMP-ZOBUZTSGSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000683842232 493374004 /nfs/dbraw/zinc/37/40/04/493374004.db2.gz SAKPHGZWXLHBMP-ZOBUZTSGSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000683842232 493374006 /nfs/dbraw/zinc/37/40/06/493374006.db2.gz SAKPHGZWXLHBMP-ZOBUZTSGSA-N 2 2 354.495 0.600 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000668553001 493375568 /nfs/dbraw/zinc/37/55/68/493375568.db2.gz YKHGFADODIUBFJ-OAHLLOKOSA-N 2 2 361.490 0.867 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000668553001 493375570 /nfs/dbraw/zinc/37/55/70/493375570.db2.gz YKHGFADODIUBFJ-OAHLLOKOSA-N 2 2 361.490 0.867 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638902 493388524 /nfs/dbraw/zinc/38/85/24/493388524.db2.gz CJPNCNLCFLAFOY-UWJYYQICSA-N 2 2 370.497 0.729 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(c4ccccc4)CNC(=O)C3)C2)CC1 ZINC000668638902 493388526 /nfs/dbraw/zinc/38/85/26/493388526.db2.gz CJPNCNLCFLAFOY-UWJYYQICSA-N 2 2 370.497 0.729 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000684458220 493413901 /nfs/dbraw/zinc/41/39/01/493413901.db2.gz QVDQDSASKDUWQJ-HNNXBMFYSA-N 2 2 358.446 0.769 20 0 FCADLP CC(C)c1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684639824 493425227 /nfs/dbraw/zinc/42/52/27/493425227.db2.gz AJSIMZNFEXIFBL-AWEZNQCLSA-N 2 2 374.489 0.823 20 0 FCADLP CC(C)c1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000684639824 493425229 /nfs/dbraw/zinc/42/52/29/493425229.db2.gz AJSIMZNFEXIFBL-AWEZNQCLSA-N 2 2 374.489 0.823 20 0 FCADLP CN(C)[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1c[nH+]cn1C ZINC000684834655 493434028 /nfs/dbraw/zinc/43/40/28/493434028.db2.gz CFVXEYSCGGFKPI-INIZCTEOSA-N 2 2 351.495 0.840 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000661403506 493435249 /nfs/dbraw/zinc/43/52/49/493435249.db2.gz RNYRZCQRVOKDGD-WMZOPIPTSA-N 2 2 371.485 0.591 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000661403506 493435252 /nfs/dbraw/zinc/43/52/52/493435252.db2.gz RNYRZCQRVOKDGD-WMZOPIPTSA-N 2 2 371.485 0.591 20 0 FCADLP NC(=O)C1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCOCC1 ZINC000661595771 493449834 /nfs/dbraw/zinc/44/98/34/493449834.db2.gz YNMALQNWWKVRIB-UHFFFAOYSA-N 2 2 366.487 0.016 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@@H]3COCCO3)CC2)c1 ZINC000661605200 493451027 /nfs/dbraw/zinc/45/10/27/493451027.db2.gz ILVUCINDNGCIGX-LJQANCHMSA-N 2 2 361.486 0.986 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@@H]3COCCO3)CC2)c1 ZINC000661605200 493451029 /nfs/dbraw/zinc/45/10/29/493451029.db2.gz ILVUCINDNGCIGX-LJQANCHMSA-N 2 2 361.486 0.986 20 0 FCADLP CN1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCC1=O ZINC000661808356 493466572 /nfs/dbraw/zinc/46/65/72/493466572.db2.gz HHIHMCFNGKZINR-UHFFFAOYSA-N 2 2 360.458 0.621 20 0 FCADLP CN1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCC1=O ZINC000661808356 493466575 /nfs/dbraw/zinc/46/65/75/493466575.db2.gz HHIHMCFNGKZINR-UHFFFAOYSA-N 2 2 360.458 0.621 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[N@@H+]1C1CC1 ZINC000685276308 493470871 /nfs/dbraw/zinc/47/08/71/493470871.db2.gz XCEQSJGZAZGUEK-BFYDXBDKSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[N@H+]1C1CC1 ZINC000685276308 493470873 /nfs/dbraw/zinc/47/08/73/493470873.db2.gz XCEQSJGZAZGUEK-BFYDXBDKSA-N 2 2 364.490 0.051 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000662051544 493486772 /nfs/dbraw/zinc/48/67/72/493486772.db2.gz BCSQBNPYUBPZLP-QGZVFWFLSA-N 2 2 374.485 0.868 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](CN2CCCC2=O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000662051544 493486773 /nfs/dbraw/zinc/48/67/73/493486773.db2.gz BCSQBNPYUBPZLP-QGZVFWFLSA-N 2 2 374.485 0.868 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000685444019 493492001 /nfs/dbraw/zinc/49/20/01/493492001.db2.gz PHJZUJSVYZPMLJ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444019 493492004 /nfs/dbraw/zinc/49/20/04/493492004.db2.gz PHJZUJSVYZPMLJ-NVXWUHKLSA-N 2 2 364.490 0.076 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669405432 493502301 /nfs/dbraw/zinc/50/23/01/493502301.db2.gz HLJOFJBMBCQOLU-BVIKNXMNSA-N 2 2 368.547 0.882 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCC1(c2ccccc2)CCOCC1 ZINC000662286486 493502738 /nfs/dbraw/zinc/50/27/38/493502738.db2.gz IGQHKQNIWSAQFF-UHFFFAOYSA-N 2 2 361.486 0.555 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000662293277 493504768 /nfs/dbraw/zinc/50/47/68/493504768.db2.gz FRROMECJNWZLJA-DLBZAZTESA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000662293277 493504771 /nfs/dbraw/zinc/50/47/71/493504771.db2.gz FRROMECJNWZLJA-DLBZAZTESA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000662293278 493505007 /nfs/dbraw/zinc/50/50/07/493505007.db2.gz FRROMECJNWZLJA-IAGOWNOFSA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000662293278 493505009 /nfs/dbraw/zinc/50/50/09/493505009.db2.gz FRROMECJNWZLJA-IAGOWNOFSA-N 2 2 371.547 0.734 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)([NH+]2CCCCC2)CC1 ZINC000669502253 493508203 /nfs/dbraw/zinc/50/82/03/493508203.db2.gz WGPOKXLVIGSAAU-KRWDZBQOSA-N 3 2 367.538 0.614 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000662364023 493509724 /nfs/dbraw/zinc/50/97/24/493509724.db2.gz MGCDYFPBTXZNCY-UHFFFAOYSA-N 2 2 358.446 0.594 20 0 FCADLP CC(C)[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000662368678 493510653 /nfs/dbraw/zinc/51/06/53/493510653.db2.gz WTVIDHVZSMOCJE-OAHLLOKOSA-N 2 2 350.467 0.289 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000685767715 493513441 /nfs/dbraw/zinc/51/34/41/493513441.db2.gz KTYVMRKCPGQHIE-UHFFFAOYSA-N 2 2 371.445 0.717 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662461607 493517752 /nfs/dbraw/zinc/51/77/52/493517752.db2.gz MYLAADNZQREAGB-HNNXBMFYSA-N 2 2 371.489 0.795 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631778 493528879 /nfs/dbraw/zinc/52/88/79/493528879.db2.gz VJZAURVAMVZCSN-CHWSQXEVSA-N 2 2 350.467 0.350 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000662631778 493528882 /nfs/dbraw/zinc/52/88/82/493528882.db2.gz VJZAURVAMVZCSN-CHWSQXEVSA-N 2 2 350.467 0.350 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000662662331 493530059 /nfs/dbraw/zinc/53/00/59/493530059.db2.gz CONYHRADYIUZEA-HDJSIYSDSA-N 2 2 366.487 0.689 20 0 FCADLP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704973 493532966 /nfs/dbraw/zinc/53/29/66/493532966.db2.gz MWKHHLQOAGBIEH-GOSISDBHSA-N 2 2 361.490 0.992 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)nn1 ZINC000662705967 493533288 /nfs/dbraw/zinc/53/32/88/493533288.db2.gz SLAGIABOZFQMMB-UHFFFAOYSA-N 2 2 350.467 0.201 20 0 FCADLP O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000662712353 493533836 /nfs/dbraw/zinc/53/38/36/493533836.db2.gz RCGJSHPDPNKHIX-UHFFFAOYSA-N 2 2 370.457 0.866 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676241105 493533853 /nfs/dbraw/zinc/53/38/53/493533853.db2.gz JJSMZKLJUQANBZ-ZBFHGGJFSA-N 2 2 363.462 0.437 20 0 FCADLP C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676241105 493533855 /nfs/dbraw/zinc/53/38/55/493533855.db2.gz JJSMZKLJUQANBZ-ZBFHGGJFSA-N 2 2 363.462 0.437 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662713783 493534272 /nfs/dbraw/zinc/53/42/72/493534272.db2.gz YRRCPMNCHLBINN-MRXNPFEDSA-N 2 2 370.457 0.785 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662717275 493534312 /nfs/dbraw/zinc/53/43/12/493534312.db2.gz NBGWDTSZTGCBQR-CQSZACIVSA-N 2 2 361.368 0.696 20 0 FCADLP C[C@H]([C@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000662721317 493534716 /nfs/dbraw/zinc/53/47/16/493534716.db2.gz UCZYDQHTSNBYSM-ZNMIVQPWSA-N 2 2 350.467 0.432 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246422 493534878 /nfs/dbraw/zinc/53/48/78/493534878.db2.gz UBOBXMCZYDUMHZ-YQQAZPJKSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246422 493534879 /nfs/dbraw/zinc/53/48/79/493534879.db2.gz UBOBXMCZYDUMHZ-YQQAZPJKSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676246422 493534882 /nfs/dbraw/zinc/53/48/82/493534882.db2.gz UBOBXMCZYDUMHZ-YQQAZPJKSA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246422 493534884 /nfs/dbraw/zinc/53/48/84/493534884.db2.gz UBOBXMCZYDUMHZ-YQQAZPJKSA-N 3 2 353.511 0.173 20 0 FCADLP COCCCn1nccc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000669993651 493538985 /nfs/dbraw/zinc/53/89/85/493538985.db2.gz PRZYJLDQJKZJIE-UHFFFAOYSA-N 2 2 351.495 0.952 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278608 493539103 /nfs/dbraw/zinc/53/91/03/493539103.db2.gz IYLRFQJTPYTETJ-JSGCOSHPSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278608 493539104 /nfs/dbraw/zinc/53/91/04/493539104.db2.gz IYLRFQJTPYTETJ-JSGCOSHPSA-N 2 2 358.402 0.041 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1ccc(F)cc1F ZINC000662765592 493540518 /nfs/dbraw/zinc/54/05/18/493540518.db2.gz BAIVNILBLFXHNA-BLLLJJGKSA-N 2 2 352.385 0.387 20 0 FCADLP O=C(N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1)C1(O)C[NH2+]C1 ZINC000662788433 493542158 /nfs/dbraw/zinc/54/21/58/493542158.db2.gz JIISXIZHLBOCIL-UHFFFAOYSA-N 2 2 363.849 0.356 20 0 FCADLP O=C(N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1)C1(O)C[NH2+]C1 ZINC000662788433 493542159 /nfs/dbraw/zinc/54/21/59/493542159.db2.gz JIISXIZHLBOCIL-UHFFFAOYSA-N 2 2 363.849 0.356 20 0 FCADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662790293 493542623 /nfs/dbraw/zinc/54/26/23/493542623.db2.gz ACXASPMDNRISIZ-KRWDZBQOSA-N 2 2 374.489 0.350 20 0 FCADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662790293 493542624 /nfs/dbraw/zinc/54/26/24/493542624.db2.gz ACXASPMDNRISIZ-KRWDZBQOSA-N 2 2 374.489 0.350 20 0 FCADLP C[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303491 493543337 /nfs/dbraw/zinc/54/33/37/493543337.db2.gz CUIOIYFWQOSQTJ-AEFFLSMTSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303491 493543339 /nfs/dbraw/zinc/54/33/39/493543339.db2.gz CUIOIYFWQOSQTJ-AEFFLSMTSA-N 2 2 368.522 0.849 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670471597 493570862 /nfs/dbraw/zinc/57/08/62/493570862.db2.gz UOEKMOAKQZIHNU-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670471597 493570863 /nfs/dbraw/zinc/57/08/63/493570863.db2.gz UOEKMOAKQZIHNU-QGZVFWFLSA-N 3 2 367.538 0.071 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670475213 493571261 /nfs/dbraw/zinc/57/12/61/493571261.db2.gz KKRXKGWFUAJAPS-GOSISDBHSA-N 2 2 358.486 0.930 20 0 FCADLP CN(C(=O)C(=O)NCc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670475213 493571262 /nfs/dbraw/zinc/57/12/62/493571262.db2.gz KKRXKGWFUAJAPS-GOSISDBHSA-N 2 2 358.486 0.930 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000663181416 493576354 /nfs/dbraw/zinc/57/63/54/493576354.db2.gz MYYVMZJBQZHCIE-CABCVRRESA-N 2 2 357.414 0.330 20 0 FCADLP NC(=O)C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000676887762 493576978 /nfs/dbraw/zinc/57/69/78/493576978.db2.gz LAZKERAPLJEUIS-AWEZNQCLSA-N 2 2 350.488 0.590 20 0 FCADLP NC(=O)C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000676887762 493576980 /nfs/dbraw/zinc/57/69/80/493576980.db2.gz LAZKERAPLJEUIS-AWEZNQCLSA-N 2 2 350.488 0.590 20 0 FCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537450 493578227 /nfs/dbraw/zinc/57/82/27/493578227.db2.gz OQEGJOFQOZYYHB-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537450 493578228 /nfs/dbraw/zinc/57/82/28/493578228.db2.gz OQEGJOFQOZYYHB-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000670536878 493578232 /nfs/dbraw/zinc/57/82/32/493578232.db2.gz DYMFRCLEHXYIKG-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3cccs3)C2)CC1 ZINC000670638996 493583926 /nfs/dbraw/zinc/58/39/26/493583926.db2.gz AOTLJYOVMYDEOZ-AWEZNQCLSA-N 2 2 364.515 0.692 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CC[N@@H+](C4CC4)C3)nc2)CC1 ZINC000663425209 493588279 /nfs/dbraw/zinc/58/82/79/493588279.db2.gz GRCLEZJGIKXYAI-CQSZACIVSA-N 2 2 365.503 0.666 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CC[N@H+](C4CC4)C3)nc2)CC1 ZINC000663425209 493588281 /nfs/dbraw/zinc/58/82/81/493588281.db2.gz GRCLEZJGIKXYAI-CQSZACIVSA-N 2 2 365.503 0.666 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000670701839 493589082 /nfs/dbraw/zinc/58/90/82/493589082.db2.gz XMEJMKJPUAUXBD-DYVFJYSZSA-N 2 2 373.457 0.296 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670701839 493589085 /nfs/dbraw/zinc/58/90/85/493589085.db2.gz XMEJMKJPUAUXBD-DYVFJYSZSA-N 2 2 373.457 0.296 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000663521498 493593760 /nfs/dbraw/zinc/59/37/60/493593760.db2.gz BJECQXIMHCYWDK-JYJNAYRXSA-N 2 2 361.421 0.965 20 0 FCADLP O=C(CC1([NH+]2CCOCC2)CCCC1)N(CCO)CC[NH+]1CCOCC1 ZINC000677444099 493602089 /nfs/dbraw/zinc/60/20/89/493602089.db2.gz WHXLYODSEXULCZ-UHFFFAOYSA-N 2 2 369.506 0.175 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477077 493603941 /nfs/dbraw/zinc/60/39/41/493603941.db2.gz PCAVHOGOELRSCZ-VXGBXAGGSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CO)CC(F)(F)F)C2)CC1 ZINC000677477077 493603943 /nfs/dbraw/zinc/60/39/43/493603943.db2.gz PCAVHOGOELRSCZ-VXGBXAGGSA-N 2 2 352.401 0.767 20 0 FCADLP CN(C(=O)C(=O)NCCc1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670836463 493604019 /nfs/dbraw/zinc/60/40/19/493604019.db2.gz SPWCVZKMKZOCIR-SFHVURJKSA-N 2 2 373.501 0.367 20 0 FCADLP CN(C(=O)C(=O)NCCc1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670836463 493604021 /nfs/dbraw/zinc/60/40/21/493604021.db2.gz SPWCVZKMKZOCIR-SFHVURJKSA-N 2 2 373.501 0.367 20 0 FCADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000677648226 493611417 /nfs/dbraw/zinc/61/14/17/493611417.db2.gz XUPVFMBZFUHDGN-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000677648226 493611420 /nfs/dbraw/zinc/61/14/20/493611420.db2.gz XUPVFMBZFUHDGN-SFHVURJKSA-N 2 2 361.486 0.803 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985303 493620792 /nfs/dbraw/zinc/62/07/92/493620792.db2.gz NXIBGNDPYLWXMC-OAHLLOKOSA-N 2 2 352.479 0.894 20 0 FCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985303 493620794 /nfs/dbraw/zinc/62/07/94/493620794.db2.gz NXIBGNDPYLWXMC-OAHLLOKOSA-N 2 2 352.479 0.894 20 0 FCADLP COCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671030721 493624093 /nfs/dbraw/zinc/62/40/93/493624093.db2.gz OALSGLZDXYQGPW-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP COCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671030721 493624095 /nfs/dbraw/zinc/62/40/95/493624095.db2.gz OALSGLZDXYQGPW-MRXNPFEDSA-N 2 2 354.495 0.156 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671101522 493633350 /nfs/dbraw/zinc/63/33/50/493633350.db2.gz WDFFMNMGQLSDKT-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671101522 493633352 /nfs/dbraw/zinc/63/33/52/493633352.db2.gz WDFFMNMGQLSDKT-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671122794 493639190 /nfs/dbraw/zinc/63/91/90/493639190.db2.gz SMQMMZKTTZTNCR-SFHVURJKSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671122794 493639191 /nfs/dbraw/zinc/63/91/91/493639191.db2.gz SMQMMZKTTZTNCR-SFHVURJKSA-N 2 2 370.497 0.931 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000671126185 493639661 /nfs/dbraw/zinc/63/96/61/493639661.db2.gz FLPQQRICYBADPF-OAHLLOKOSA-N 2 2 361.490 0.869 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000678443890 493644356 /nfs/dbraw/zinc/64/43/56/493644356.db2.gz ACNVDWRXNQVNEM-JTDSTZFVSA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000678443890 493644358 /nfs/dbraw/zinc/64/43/58/493644358.db2.gz ACNVDWRXNQVNEM-JTDSTZFVSA-N 2 2 366.506 0.792 20 0 FCADLP CC(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671353685 493659175 /nfs/dbraw/zinc/65/91/75/493659175.db2.gz YNCGOYXCTBQPNL-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671353685 493659178 /nfs/dbraw/zinc/65/91/78/493659178.db2.gz YNCGOYXCTBQPNL-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)[nH+]c2c1 ZINC000671358209 493659740 /nfs/dbraw/zinc/65/97/40/493659740.db2.gz FQGFPAWMQOKUTK-UKRRQHHQSA-N 2 2 359.430 0.094 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)[nH+]c2c1 ZINC000671358209 493659743 /nfs/dbraw/zinc/65/97/43/493659743.db2.gz FQGFPAWMQOKUTK-UKRRQHHQSA-N 2 2 359.430 0.094 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671365618 493660768 /nfs/dbraw/zinc/66/07/68/493660768.db2.gz KHYLDLWMBYVSGY-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000664489427 493662970 /nfs/dbraw/zinc/66/29/70/493662970.db2.gz BBMRVILJAFDBET-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000664489427 493662972 /nfs/dbraw/zinc/66/29/72/493662972.db2.gz BBMRVILJAFDBET-WBVHZDCISA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000671397053 493665189 /nfs/dbraw/zinc/66/51/89/493665189.db2.gz PZYNWBKPQHNSNX-WMLDXEAASA-N 2 2 356.470 0.860 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000671397053 493665191 /nfs/dbraw/zinc/66/51/91/493665191.db2.gz PZYNWBKPQHNSNX-WMLDXEAASA-N 2 2 356.470 0.860 20 0 FCADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc12 ZINC000678929769 493665370 /nfs/dbraw/zinc/66/53/70/493665370.db2.gz NAWLMDOOCDVURB-KRWDZBQOSA-N 2 2 358.490 0.773 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671399360 493665608 /nfs/dbraw/zinc/66/56/08/493665608.db2.gz YRVPWLUEECQNAQ-UHFFFAOYSA-N 2 2 358.486 0.967 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664538338 493666479 /nfs/dbraw/zinc/66/64/79/493666479.db2.gz CWENZLLJQYUIIZ-SFHVURJKSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664538338 493666481 /nfs/dbraw/zinc/66/64/81/493666481.db2.gz CWENZLLJQYUIIZ-SFHVURJKSA-N 3 2 367.538 0.253 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000664539785 493666619 /nfs/dbraw/zinc/66/66/19/493666619.db2.gz REYPVXUTLPSANW-IBGZPJMESA-N 2 2 370.538 0.879 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537178 493666666 /nfs/dbraw/zinc/66/66/66/493666666.db2.gz GGBNVGVIJIEUKA-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537178 493666670 /nfs/dbraw/zinc/66/66/70/493666670.db2.gz GGBNVGVIJIEUKA-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537178 493666673 /nfs/dbraw/zinc/66/66/73/493666673.db2.gz GGBNVGVIJIEUKA-HOTGVXAUSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664537178 493666675 /nfs/dbraw/zinc/66/66/75/493666675.db2.gz GGBNVGVIJIEUKA-HOTGVXAUSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597847 493671158 /nfs/dbraw/zinc/67/11/58/493671158.db2.gz QKKHFOQMZVRYMF-ZOBUZTSGSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)nc[nH+]2)C1 ZINC000664597847 493671160 /nfs/dbraw/zinc/67/11/60/493671160.db2.gz QKKHFOQMZVRYMF-ZOBUZTSGSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597847 493671164 /nfs/dbraw/zinc/67/11/64/493671164.db2.gz QKKHFOQMZVRYMF-ZOBUZTSGSA-N 2 2 361.490 0.719 20 0 FCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)[nH+]cn2)C1 ZINC000664597847 493671165 /nfs/dbraw/zinc/67/11/65/493671165.db2.gz QKKHFOQMZVRYMF-ZOBUZTSGSA-N 2 2 361.490 0.719 20 0 FCADLP C[NH+]1CCN([C@@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)c2ccccc2)CC1 ZINC000679317948 493675315 /nfs/dbraw/zinc/67/53/15/493675315.db2.gz ILSLZTWPGNVRDL-LJQANCHMSA-N 2 2 374.529 0.890 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756986 493681583 /nfs/dbraw/zinc/68/15/83/493681583.db2.gz YSFZTBBJIXUHST-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756986 493681584 /nfs/dbraw/zinc/68/15/84/493681584.db2.gz YSFZTBBJIXUHST-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)CO1 ZINC000664756986 493681586 /nfs/dbraw/zinc/68/15/86/493681586.db2.gz YSFZTBBJIXUHST-BBWFWOEESA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+]1CCN(C(=O)CCC2(CCC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000665059150 493697554 /nfs/dbraw/zinc/69/75/54/493697554.db2.gz RYCZOBVRHJEOTN-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671815654 493707221 /nfs/dbraw/zinc/70/72/21/493707221.db2.gz MHMCGYSYCSARAP-KRWDZBQOSA-N 2 2 356.470 0.684 20 0 FCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000671815654 493707223 /nfs/dbraw/zinc/70/72/23/493707223.db2.gz MHMCGYSYCSARAP-KRWDZBQOSA-N 2 2 356.470 0.684 20 0 FCADLP CC(C)OCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000671950377 493717489 /nfs/dbraw/zinc/71/74/89/493717489.db2.gz GKEQFTDQAMNIMT-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000680467450 493718426 /nfs/dbraw/zinc/71/84/26/493718426.db2.gz OOKQRVQPMFIWEO-HUUCEWRRSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000680467450 493718428 /nfs/dbraw/zinc/71/84/28/493718428.db2.gz OOKQRVQPMFIWEO-HUUCEWRRSA-N 2 2 350.467 0.772 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671963437 493719077 /nfs/dbraw/zinc/71/90/77/493719077.db2.gz ZDOWVGKYJWOJQW-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671963437 493719078 /nfs/dbraw/zinc/71/90/78/493719078.db2.gz ZDOWVGKYJWOJQW-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680552874 493723475 /nfs/dbraw/zinc/72/34/75/493723475.db2.gz MNQDPXICPSYRSR-HYVNUMGLSA-N 2 2 354.495 0.648 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680552874 493723477 /nfs/dbraw/zinc/72/34/77/493723477.db2.gz MNQDPXICPSYRSR-HYVNUMGLSA-N 2 2 354.495 0.648 20 0 FCADLP COCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672044071 493726551 /nfs/dbraw/zinc/72/65/51/493726551.db2.gz BMZPEDURODWEHF-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP COCC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672044071 493726552 /nfs/dbraw/zinc/72/65/52/493726552.db2.gz BMZPEDURODWEHF-GDBMZVCRSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672098328 493735042 /nfs/dbraw/zinc/73/50/42/493735042.db2.gz VONQYCCMZNKLNR-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672098328 493735045 /nfs/dbraw/zinc/73/50/45/493735045.db2.gz VONQYCCMZNKLNR-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000681189035 493749355 /nfs/dbraw/zinc/74/93/55/493749355.db2.gz ZAZCMJZALVRZOM-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000681189035 493749358 /nfs/dbraw/zinc/74/93/58/493749358.db2.gz ZAZCMJZALVRZOM-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000681189035 493749360 /nfs/dbraw/zinc/74/93/60/493749360.db2.gz ZAZCMJZALVRZOM-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000681189035 493749362 /nfs/dbraw/zinc/74/93/62/493749362.db2.gz ZAZCMJZALVRZOM-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000681189031 493749702 /nfs/dbraw/zinc/74/97/02/493749702.db2.gz ZAZCMJZALVRZOM-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000681189031 493749703 /nfs/dbraw/zinc/74/97/03/493749703.db2.gz ZAZCMJZALVRZOM-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000681189031 493749705 /nfs/dbraw/zinc/74/97/05/493749705.db2.gz ZAZCMJZALVRZOM-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000681189031 493749706 /nfs/dbraw/zinc/74/97/06/493749706.db2.gz ZAZCMJZALVRZOM-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216409 493751360 /nfs/dbraw/zinc/75/13/60/493751360.db2.gz ZZRNJUCTHDSSQL-FUHWJXTLSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H]1COCCN1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216409 493751366 /nfs/dbraw/zinc/75/13/66/493751366.db2.gz ZZRNJUCTHDSSQL-FUHWJXTLSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681216409 493751368 /nfs/dbraw/zinc/75/13/68/493751368.db2.gz ZZRNJUCTHDSSQL-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681216409 493751370 /nfs/dbraw/zinc/75/13/70/493751370.db2.gz ZZRNJUCTHDSSQL-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216409 493751372 /nfs/dbraw/zinc/75/13/72/493751372.db2.gz ZZRNJUCTHDSSQL-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216409 493751375 /nfs/dbraw/zinc/75/13/75/493751375.db2.gz ZZRNJUCTHDSSQL-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000672319914 493755918 /nfs/dbraw/zinc/75/59/18/493755918.db2.gz DEJBPGLDMHDINI-BZUAXINKSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000672320100 493756699 /nfs/dbraw/zinc/75/66/99/493756699.db2.gz PRLFWRVZSQQWOP-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000666125101 493758851 /nfs/dbraw/zinc/75/88/51/493758851.db2.gz RUFWUHOGZIPUSC-HNNXBMFYSA-N 2 2 350.467 0.821 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000666125101 493758853 /nfs/dbraw/zinc/75/88/53/493758853.db2.gz RUFWUHOGZIPUSC-HNNXBMFYSA-N 2 2 350.467 0.821 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000681390482 493759195 /nfs/dbraw/zinc/75/91/95/493759195.db2.gz MQJFUWJPPYTRDK-AWEZNQCLSA-N 2 2 355.435 0.408 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000672357461 493759531 /nfs/dbraw/zinc/75/95/31/493759531.db2.gz AYYXKZRHQYCFEB-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000672357461 493759533 /nfs/dbraw/zinc/75/95/33/493759533.db2.gz AYYXKZRHQYCFEB-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CCn1cc(CNC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000666265164 493765422 /nfs/dbraw/zinc/76/54/22/493765422.db2.gz GCQLMYJUPOECQN-UHFFFAOYSA-N 2 2 363.510 1.000 20 0 FCADLP CCn1cc(CNC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000666265164 493765424 /nfs/dbraw/zinc/76/54/24/493765424.db2.gz GCQLMYJUPOECQN-UHFFFAOYSA-N 2 2 363.510 1.000 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000159524054 674351475 /nfs/dbraw/zinc/35/14/75/674351475.db2.gz VGTXIYDUZDTBQJ-MRXNPFEDSA-N 2 2 374.551 0.477 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000159524054 674351478 /nfs/dbraw/zinc/35/14/78/674351478.db2.gz VGTXIYDUZDTBQJ-MRXNPFEDSA-N 2 2 374.551 0.477 20 0 FCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438898010 534790640 /nfs/dbraw/zinc/79/06/40/534790640.db2.gz WVZXUGDZBCKGEQ-KRWDZBQOSA-N 2 2 357.458 0.318 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419926050 536449389 /nfs/dbraw/zinc/44/93/89/536449389.db2.gz ASJMTPDFBSHGLF-OAHLLOKOSA-N 2 2 364.465 0.832 20 0 FCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419926050 536449391 /nfs/dbraw/zinc/44/93/91/536449391.db2.gz ASJMTPDFBSHGLF-OAHLLOKOSA-N 2 2 364.465 0.832 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000410919115 527729990 /nfs/dbraw/zinc/72/99/90/527729990.db2.gz LCNQCMCUBIBOMT-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000410919115 527729995 /nfs/dbraw/zinc/72/99/95/527729995.db2.gz LCNQCMCUBIBOMT-UHFFFAOYSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000410735705 527818114 /nfs/dbraw/zinc/81/81/14/527818114.db2.gz JXCPJBCCGBNJLN-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000410735705 527818115 /nfs/dbraw/zinc/81/81/15/527818115.db2.gz JXCPJBCCGBNJLN-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410792403 527824550 /nfs/dbraw/zinc/82/45/50/527824550.db2.gz OPXQGQPLOLESSH-NVXWUHKLSA-N 2 2 360.458 0.862 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000410792403 527824558 /nfs/dbraw/zinc/82/45/58/527824558.db2.gz OPXQGQPLOLESSH-NVXWUHKLSA-N 2 2 360.458 0.862 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@H]1C ZINC000410706551 527963346 /nfs/dbraw/zinc/96/33/46/527963346.db2.gz YVCJDKYTXFELBH-SJORKVTESA-N 2 2 368.522 0.497 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C[C@H]1C ZINC000410706551 527963352 /nfs/dbraw/zinc/96/33/52/527963352.db2.gz YVCJDKYTXFELBH-SJORKVTESA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410889502 528890256 /nfs/dbraw/zinc/89/02/56/528890256.db2.gz ZAFDJWRGZMVMQO-UHFFFAOYSA-N 3 2 369.554 0.269 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410889502 528890262 /nfs/dbraw/zinc/89/02/62/528890262.db2.gz ZAFDJWRGZMVMQO-UHFFFAOYSA-N 3 2 369.554 0.269 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000413863791 529276986 /nfs/dbraw/zinc/27/69/86/529276986.db2.gz IKPQKDLGAYWEHO-ROUUACIJSA-N 2 2 371.522 0.681 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000413863791 529276989 /nfs/dbraw/zinc/27/69/89/529276989.db2.gz IKPQKDLGAYWEHO-ROUUACIJSA-N 2 2 371.522 0.681 20 0 FCADLP CC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCOCC1 ZINC000414664652 535089713 /nfs/dbraw/zinc/08/97/13/535089713.db2.gz UDBSRPGCYMCTHZ-UHFFFAOYSA-N 2 2 360.458 0.498 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[NH2+]C1 ZINC000423661507 535187689 /nfs/dbraw/zinc/18/76/89/535187689.db2.gz LSQTUQBZEGNMKH-HNNXBMFYSA-N 2 2 364.515 0.993 20 0 FCADLP CCCN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000419206600 535190997 /nfs/dbraw/zinc/19/09/97/535190997.db2.gz NBLDXUYEJGCOKN-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)C1(C)C ZINC000423900905 535437758 /nfs/dbraw/zinc/43/77/58/535437758.db2.gz SHGXHWVCVQOQDR-PMUMKWKESA-N 2 2 355.479 0.615 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)C1(C)C ZINC000423900905 535437760 /nfs/dbraw/zinc/43/77/60/535437760.db2.gz SHGXHWVCVQOQDR-PMUMKWKESA-N 2 2 355.479 0.615 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423316261 535452753 /nfs/dbraw/zinc/45/27/53/535452753.db2.gz AYPZYXIYEZQVRM-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423316261 535452759 /nfs/dbraw/zinc/45/27/59/535452759.db2.gz AYPZYXIYEZQVRM-IYBDPMFKSA-N 2 2 368.522 0.402 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000423570961 535604231 /nfs/dbraw/zinc/60/42/31/535604231.db2.gz UDAGTOBRFDPNMM-DNVCBOLYSA-N 2 2 374.489 0.217 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c[nH+]1 ZINC000419199284 535684632 /nfs/dbraw/zinc/68/46/32/535684632.db2.gz CUCTUHKSGMDBEL-GDBMZVCRSA-N 2 2 361.490 0.987 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000419201607 535685390 /nfs/dbraw/zinc/68/53/90/535685390.db2.gz FZPRWHVMBUEKJG-JKSUJKDBSA-N 2 2 359.474 0.612 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC[NH2+]3)c2)CC1 ZINC000444170659 535724955 /nfs/dbraw/zinc/72/49/55/535724955.db2.gz NMTMXTJHAUMHLR-OAHLLOKOSA-N 2 2 352.460 0.313 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000418874181 536124617 /nfs/dbraw/zinc/12/46/17/536124617.db2.gz ISRJLYYLIKAOFV-DOMZBBRYSA-N 2 2 352.866 0.927 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000415301798 536417525 /nfs/dbraw/zinc/41/75/25/536417525.db2.gz QOQPGKCWLKBHGT-KRWDZBQOSA-N 2 2 359.474 0.193 20 0 FCADLP CCCC[NH+]1CCC(NC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000119926428 546509968 /nfs/dbraw/zinc/50/99/68/546509968.db2.gz UMDLOYRASNVCCR-UHFFFAOYSA-N 2 2 356.511 0.587 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000248764043 546887598 /nfs/dbraw/zinc/88/75/98/546887598.db2.gz NHZAYHMKPXMRGD-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000248764043 546887602 /nfs/dbraw/zinc/88/76/02/546887602.db2.gz NHZAYHMKPXMRGD-NVXWUHKLSA-N 2 2 350.507 0.777 20 0 FCADLP CCCC[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377636949 546901328 /nfs/dbraw/zinc/90/13/28/546901328.db2.gz MJQBJSDXCCSIAM-HOTGVXAUSA-N 2 2 353.511 0.840 20 0 FCADLP CCCC[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377636949 546901333 /nfs/dbraw/zinc/90/13/33/546901333.db2.gz MJQBJSDXCCSIAM-HOTGVXAUSA-N 2 2 353.511 0.840 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152479155 546918805 /nfs/dbraw/zinc/91/88/05/546918805.db2.gz WQZOUHGXNPNYIM-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152479155 546918809 /nfs/dbraw/zinc/91/88/09/546918809.db2.gz WQZOUHGXNPNYIM-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)[NH+]1CCSCC1 ZINC000152872522 546927613 /nfs/dbraw/zinc/92/76/13/546927613.db2.gz VZZGUAFWBPOLBH-CQSZACIVSA-N 2 2 364.519 0.629 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715143 546928165 /nfs/dbraw/zinc/92/81/65/546928165.db2.gz JRKIOKAHHZHFHL-YESZJQIVSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715143 546928168 /nfs/dbraw/zinc/92/81/68/546928168.db2.gz JRKIOKAHHZHFHL-YESZJQIVSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715143 546928169 /nfs/dbraw/zinc/92/81/69/546928169.db2.gz JRKIOKAHHZHFHL-YESZJQIVSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715143 546928171 /nfs/dbraw/zinc/92/81/71/546928171.db2.gz JRKIOKAHHZHFHL-YESZJQIVSA-N 2 2 354.495 0.650 20 0 FCADLP NC(=O)c1csc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641788542 546957351 /nfs/dbraw/zinc/95/73/51/546957351.db2.gz PKVIFXQJRHPKMB-HNNXBMFYSA-N 2 2 352.504 0.733 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000549978379 547075466 /nfs/dbraw/zinc/07/54/66/547075466.db2.gz ZUFXYDZEWXVDCW-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000549978379 547075469 /nfs/dbraw/zinc/07/54/69/547075469.db2.gz ZUFXYDZEWXVDCW-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000550413289 547086991 /nfs/dbraw/zinc/08/69/91/547086991.db2.gz UEAISMHAELYION-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000550413289 547086996 /nfs/dbraw/zinc/08/69/96/547086996.db2.gz UEAISMHAELYION-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000551022322 547119433 /nfs/dbraw/zinc/11/94/33/547119433.db2.gz CYZWJQHRTGCHJT-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC1CC[NH+](CCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000551022322 547119438 /nfs/dbraw/zinc/11/94/38/547119438.db2.gz CYZWJQHRTGCHJT-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000552634845 547220761 /nfs/dbraw/zinc/22/07/61/547220761.db2.gz PATXIWKDJMJRNH-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000552634845 547220765 /nfs/dbraw/zinc/22/07/65/547220765.db2.gz PATXIWKDJMJRNH-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552958717 547242643 /nfs/dbraw/zinc/24/26/43/547242643.db2.gz ZUOIWCPOCZHUQJ-XUWVNRHRSA-N 2 2 351.495 0.776 20 0 FCADLP CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552958717 547242647 /nfs/dbraw/zinc/24/26/47/547242647.db2.gz ZUOIWCPOCZHUQJ-XUWVNRHRSA-N 2 2 351.495 0.776 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000553599108 547293750 /nfs/dbraw/zinc/29/37/50/547293750.db2.gz KDLLVOKGVDRAJS-INMHGKMJSA-N 2 2 356.536 0.928 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000047983555 547413264 /nfs/dbraw/zinc/41/32/64/547413264.db2.gz NHZAYHMKPXMRGD-WBVHZDCISA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000047983555 547413271 /nfs/dbraw/zinc/41/32/71/547413271.db2.gz NHZAYHMKPXMRGD-WBVHZDCISA-N 2 2 350.507 0.777 20 0 FCADLP CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[NH+](CCOC)C1 ZINC000950347135 674425087 /nfs/dbraw/zinc/42/50/87/674425087.db2.gz RFXQBZRQCWWTIF-MSOLQXFVSA-N 2 2 353.507 0.912 20 0 FCADLP CC(C)(C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCCCC1 ZINC000735670683 598516783 /nfs/dbraw/zinc/51/67/83/598516783.db2.gz ULPRECOGMZPOIG-ZDUSSCGKSA-N 2 2 359.482 0.959 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267946 598524587 /nfs/dbraw/zinc/52/45/87/598524587.db2.gz VEYSCJAUXPROLR-MCIONIFRSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267946 598524588 /nfs/dbraw/zinc/52/45/88/598524588.db2.gz VEYSCJAUXPROLR-MCIONIFRSA-N 2 2 359.482 0.815 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737876971 598685964 /nfs/dbraw/zinc/68/59/64/598685964.db2.gz LSNKEHALWWGJQJ-UHFFFAOYSA-N 2 2 355.446 0.607 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000956933975 674531384 /nfs/dbraw/zinc/53/13/84/674531384.db2.gz ZQWQZIBIVAPWMO-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000956933975 674531386 /nfs/dbraw/zinc/53/13/86/674531386.db2.gz ZQWQZIBIVAPWMO-IAGOWNOFSA-N 2 2 353.507 0.840 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821180732 606632870 /nfs/dbraw/zinc/63/28/70/606632870.db2.gz GIOZEFGEXHKMIR-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820758930 606849099 /nfs/dbraw/zinc/84/90/99/606849099.db2.gz GAIFYRNHRHWFHS-JKIFEVAISA-N 2 2 360.462 0.989 20 0 FCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820758930 606849101 /nfs/dbraw/zinc/84/91/01/606849101.db2.gz GAIFYRNHRHWFHS-JKIFEVAISA-N 2 2 360.462 0.989 20 0 FCADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825308151 607957931 /nfs/dbraw/zinc/95/79/31/607957931.db2.gz WKVWRCQMOPVZQH-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825308151 607957932 /nfs/dbraw/zinc/95/79/32/607957932.db2.gz WKVWRCQMOPVZQH-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584635 609332864 /nfs/dbraw/zinc/33/28/64/609332864.db2.gz CXUDCLWGWKWWKG-LBPRGKRZSA-N 2 2 361.425 0.821 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000899231691 665933256 /nfs/dbraw/zinc/93/32/56/665933256.db2.gz XBYWNZAMFXVRGU-IRXDYDNUSA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000899231691 665933257 /nfs/dbraw/zinc/93/32/57/665933257.db2.gz XBYWNZAMFXVRGU-IRXDYDNUSA-N 2 2 352.523 0.772 20 0 FCADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000899231691 665933258 /nfs/dbraw/zinc/93/32/58/665933258.db2.gz XBYWNZAMFXVRGU-IRXDYDNUSA-N 2 2 352.523 0.772 20 0 FCADLP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069440041 663185070 /nfs/dbraw/zinc/18/50/70/663185070.db2.gz GEXHNDCNYNQADS-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069440041 663185072 /nfs/dbraw/zinc/18/50/72/663185072.db2.gz GEXHNDCNYNQADS-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001020603825 663199579 /nfs/dbraw/zinc/19/95/79/663199579.db2.gz OKEDVWJBKZRXBT-KJWHEZOQSA-N 2 2 366.487 0.195 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969957221 663211790 /nfs/dbraw/zinc/21/17/90/663211790.db2.gz CHOUADWZWJDFQG-BWACUDIHSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1noc(C)c1C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969957221 663211791 /nfs/dbraw/zinc/21/17/91/663211791.db2.gz CHOUADWZWJDFQG-BWACUDIHSA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000969957370 663211799 /nfs/dbraw/zinc/21/17/99/663211799.db2.gz FIBVKTXDNFMHLB-PSTGCABASA-N 2 2 350.463 0.947 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC([C@@H](C)NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC000969957370 663211801 /nfs/dbraw/zinc/21/18/01/663211801.db2.gz FIBVKTXDNFMHLB-PSTGCABASA-N 2 2 350.463 0.947 20 0 FCADLP C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099753 663310579 /nfs/dbraw/zinc/31/05/79/663310579.db2.gz VPHBDCBIUFFEKD-JFIYKMOQSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099753 663310582 /nfs/dbraw/zinc/31/05/82/663310582.db2.gz VPHBDCBIUFFEKD-JFIYKMOQSA-N 2 2 356.511 0.896 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000933336939 663392892 /nfs/dbraw/zinc/39/28/92/663392892.db2.gz SHYCKEXDLKZOBD-KSZLIROESA-N 2 2 351.491 0.811 20 0 FCADLP C[C@@H](C(=O)NCC[N@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000899733447 665960641 /nfs/dbraw/zinc/96/06/41/665960641.db2.gz BTKWKTSNHNGDBR-HNNXBMFYSA-N 2 2 352.454 0.377 20 0 FCADLP C[C@@H](C(=O)NCC[N@@H+](C)CCO)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000899733447 665960644 /nfs/dbraw/zinc/96/06/44/665960644.db2.gz BTKWKTSNHNGDBR-HNNXBMFYSA-N 2 2 352.454 0.377 20 0 FCADLP C[C@@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)C[NH+]1CCOCC1 ZINC000891584136 663416702 /nfs/dbraw/zinc/41/67/02/663416702.db2.gz QVEQKMCAEUJJKG-LBPRGKRZSA-N 2 2 353.492 0.638 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022230599 663422862 /nfs/dbraw/zinc/42/28/62/663422862.db2.gz AUWATTSJVSFGII-UXXRCYHCSA-N 2 2 366.487 0.575 20 0 FCADLP O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022230599 663422863 /nfs/dbraw/zinc/42/28/63/663422863.db2.gz AUWATTSJVSFGII-UXXRCYHCSA-N 2 2 366.487 0.575 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022274978 663428930 /nfs/dbraw/zinc/42/89/30/663428930.db2.gz GLZQOZVCRCZTKR-NBUWXKEQSA-N 2 2 353.492 0.863 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC001022274978 663428931 /nfs/dbraw/zinc/42/89/31/663428931.db2.gz GLZQOZVCRCZTKR-NBUWXKEQSA-N 2 2 353.492 0.863 20 0 FCADLP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000934041487 663456268 /nfs/dbraw/zinc/45/62/68/663456268.db2.gz BEFXRXRQBWBEEP-HZPDHXFCSA-N 2 2 353.488 0.786 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@@H]1C[NH2+]CCO1 ZINC000892181046 663486239 /nfs/dbraw/zinc/48/62/39/663486239.db2.gz QKYFFAIRQKUMSZ-AWEZNQCLSA-N 2 2 351.476 0.422 20 0 FCADLP CO[C@@H]1CCOC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892522256 664017902 /nfs/dbraw/zinc/01/79/02/664017902.db2.gz VHJWXXLSLVEIRG-IAGOWNOFSA-N 2 2 354.495 0.648 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892758259 664137470 /nfs/dbraw/zinc/13/74/70/664137470.db2.gz OMVKKYJXDLFXKZ-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892758259 664137472 /nfs/dbraw/zinc/13/74/72/664137472.db2.gz OMVKKYJXDLFXKZ-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892758259 664137475 /nfs/dbraw/zinc/13/74/75/664137475.db2.gz OMVKKYJXDLFXKZ-CVEARBPZSA-N 2 2 354.495 0.338 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026967636 664283153 /nfs/dbraw/zinc/28/31/53/664283153.db2.gz BKVNQTSEAQSBJR-KURKYZTESA-N 2 2 351.491 0.714 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@@H+]1C ZINC000981194223 664817138 /nfs/dbraw/zinc/81/71/38/664817138.db2.gz NMEULHCEFNIVJV-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)CC[N@H+]1C ZINC000981194223 664817141 /nfs/dbraw/zinc/81/71/41/664817141.db2.gz NMEULHCEFNIVJV-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194223 664817145 /nfs/dbraw/zinc/81/71/45/664817145.db2.gz NMEULHCEFNIVJV-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)CC2)CC[NH+]1C ZINC000981194223 664817148 /nfs/dbraw/zinc/81/71/48/664817148.db2.gz NMEULHCEFNIVJV-IXDOHACOSA-N 2 2 371.547 0.686 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000726258904 664915782 /nfs/dbraw/zinc/91/57/82/664915782.db2.gz YEJDCVNKQGTSOB-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCO1 ZINC000726258904 664915783 /nfs/dbraw/zinc/91/57/83/664915783.db2.gz YEJDCVNKQGTSOB-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP CCc1onc(C)c1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038398936 664930613 /nfs/dbraw/zinc/93/06/13/664930613.db2.gz JPSBQWITBKPHCW-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038398936 664930616 /nfs/dbraw/zinc/93/06/16/664930616.db2.gz JPSBQWITBKPHCW-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038398936 664930617 /nfs/dbraw/zinc/93/06/17/664930617.db2.gz JPSBQWITBKPHCW-SUYBPPKGSA-N 2 2 350.463 0.955 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001028629622 664931080 /nfs/dbraw/zinc/93/10/80/664931080.db2.gz OVVFPXREKBTUCC-VNHYZAJKSA-N 2 2 352.435 0.340 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001028629622 664931083 /nfs/dbraw/zinc/93/10/83/664931083.db2.gz OVVFPXREKBTUCC-VNHYZAJKSA-N 2 2 352.435 0.340 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001028629622 664931084 /nfs/dbraw/zinc/93/10/84/664931084.db2.gz OVVFPXREKBTUCC-VNHYZAJKSA-N 2 2 352.435 0.340 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001028629622 664931085 /nfs/dbraw/zinc/93/10/85/664931085.db2.gz OVVFPXREKBTUCC-VNHYZAJKSA-N 2 2 352.435 0.340 20 0 FCADLP C[C@@H]([NH2+]Cc1csnn1)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001029111203 664986248 /nfs/dbraw/zinc/98/62/48/664986248.db2.gz CYLHTHROKZJXNE-XJKCOSOUSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@@H]([NH2+]Cc1csnn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001029111203 664986250 /nfs/dbraw/zinc/98/62/50/664986250.db2.gz CYLHTHROKZJXNE-XJKCOSOUSA-N 2 2 367.519 0.974 20 0 FCADLP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)oc1C ZINC000984016242 665013896 /nfs/dbraw/zinc/01/38/96/665013896.db2.gz UOHIVLOZJUHVMJ-RAEVTNRLSA-N 2 2 350.463 0.995 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984016107 665014043 /nfs/dbraw/zinc/01/40/43/665014043.db2.gz RIMBMQCCPXWRGT-OBRUSBNWSA-N 2 2 350.467 0.378 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC000984016107 665014045 /nfs/dbraw/zinc/01/40/45/665014045.db2.gz RIMBMQCCPXWRGT-OBRUSBNWSA-N 2 2 350.467 0.378 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCOC2CCC2)O1 ZINC001029357825 665019117 /nfs/dbraw/zinc/01/91/17/665019117.db2.gz WSXKVOVNELWKIP-XLMAVXFVSA-N 2 2 351.491 0.950 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCOC2CCC2)O1 ZINC001029357825 665019119 /nfs/dbraw/zinc/01/91/19/665019119.db2.gz WSXKVOVNELWKIP-XLMAVXFVSA-N 2 2 351.491 0.950 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC2CCC2)O1 ZINC001029357825 665019122 /nfs/dbraw/zinc/01/91/22/665019122.db2.gz WSXKVOVNELWKIP-XLMAVXFVSA-N 2 2 351.491 0.950 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC2CCC2)O1 ZINC001029357825 665019123 /nfs/dbraw/zinc/01/91/23/665019123.db2.gz WSXKVOVNELWKIP-XLMAVXFVSA-N 2 2 351.491 0.950 20 0 FCADLP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000895685287 665056098 /nfs/dbraw/zinc/05/60/98/665056098.db2.gz LDYDDXNVBUYMSS-OKZBNKHCSA-N 2 2 373.563 0.728 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897466002 665289964 /nfs/dbraw/zinc/28/99/64/665289964.db2.gz MENUZPHZRRFCSZ-YJBOKZPZSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)C1 ZINC000897466002 665289965 /nfs/dbraw/zinc/28/99/65/665289965.db2.gz MENUZPHZRRFCSZ-YJBOKZPZSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@H]1CC[NH+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000897466002 665289966 /nfs/dbraw/zinc/28/99/66/665289966.db2.gz MENUZPHZRRFCSZ-YJBOKZPZSA-N 2 2 354.495 0.243 20 0 FCADLP C[C@H]1CC[NH+](CCNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000897466002 665289967 /nfs/dbraw/zinc/28/99/67/665289967.db2.gz MENUZPHZRRFCSZ-YJBOKZPZSA-N 2 2 354.495 0.243 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CCSC1 ZINC000906899809 666075752 /nfs/dbraw/zinc/07/57/52/666075752.db2.gz CLSCIYVQXKBYFC-GOSISDBHSA-N 2 2 366.531 0.987 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000908527420 666210558 /nfs/dbraw/zinc/21/05/58/666210558.db2.gz UIECKUJALUFHBK-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000908527420 666210562 /nfs/dbraw/zinc/21/05/62/666210562.db2.gz UIECKUJALUFHBK-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000908527420 666210566 /nfs/dbraw/zinc/21/05/66/666210566.db2.gz UIECKUJALUFHBK-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000908527420 666210569 /nfs/dbraw/zinc/21/05/69/666210569.db2.gz UIECKUJALUFHBK-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540793 666211325 /nfs/dbraw/zinc/21/13/25/666211325.db2.gz OLLKAUOUJMYMNV-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000908540793 666211328 /nfs/dbraw/zinc/21/13/28/666211328.db2.gz OLLKAUOUJMYMNV-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000908540793 666211329 /nfs/dbraw/zinc/21/13/29/666211329.db2.gz OLLKAUOUJMYMNV-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000908540793 666211331 /nfs/dbraw/zinc/21/13/31/666211331.db2.gz OLLKAUOUJMYMNV-CVEARBPZSA-N 2 2 355.479 0.225 20 0 FCADLP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841150 666368770 /nfs/dbraw/zinc/36/87/70/666368770.db2.gz ILUHQQQWOVGVKF-SCLBCKFNSA-N 2 2 350.438 0.755 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841249 666376360 /nfs/dbraw/zinc/37/63/60/666376360.db2.gz NHBSGXCYWGTONW-MSOLQXFVSA-N 2 2 351.491 0.857 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000068508643 666483865 /nfs/dbraw/zinc/48/38/65/666483865.db2.gz UTSTVRRNSWRWMW-UHFFFAOYSA-N 2 2 367.515 0.987 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069074835 666496188 /nfs/dbraw/zinc/49/61/88/666496188.db2.gz HZIBZRMQYJDAJF-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069074835 666496190 /nfs/dbraw/zinc/49/61/90/666496190.db2.gz HZIBZRMQYJDAJF-HNNXBMFYSA-N 2 2 374.551 0.527 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000913117166 666501151 /nfs/dbraw/zinc/50/11/51/666501151.db2.gz YWXBXIJDHCSZSZ-MSOLQXFVSA-N 2 2 352.523 0.462 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000069475351 666514127 /nfs/dbraw/zinc/51/41/27/666514127.db2.gz KPDKOBDOQPMSQM-MRXNPFEDSA-N 2 2 372.535 0.279 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000069475351 666514129 /nfs/dbraw/zinc/51/41/29/666514129.db2.gz KPDKOBDOQPMSQM-MRXNPFEDSA-N 2 2 372.535 0.279 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000172978605 666604268 /nfs/dbraw/zinc/60/42/68/666604268.db2.gz BWJVBQRGRMXUEG-HNNXBMFYSA-N 2 2 354.495 0.949 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000913920017 666668162 /nfs/dbraw/zinc/66/81/62/666668162.db2.gz FMRGRPUIHKFSSL-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920017 666668163 /nfs/dbraw/zinc/66/81/63/666668163.db2.gz FMRGRPUIHKFSSL-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000913988884 666678510 /nfs/dbraw/zinc/67/85/10/666678510.db2.gz QIHWBVMQQMZPKW-YESZJQIVSA-N 2 2 356.511 0.896 20 0 FCADLP C[NH+](C)CCNC(=S)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000731951791 666849366 /nfs/dbraw/zinc/84/93/66/666849366.db2.gz KMDZVLFZUSGVES-QGZVFWFLSA-N 2 2 350.532 0.956 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2(C)C)s1 ZINC000995960567 666897291 /nfs/dbraw/zinc/89/72/91/666897291.db2.gz UQJBPOZCZNHYAN-BNOWGMLFSA-N 2 2 367.519 0.892 20 0 FCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2(C)C)s1 ZINC000995960567 666897294 /nfs/dbraw/zinc/89/72/94/666897294.db2.gz UQJBPOZCZNHYAN-BNOWGMLFSA-N 2 2 367.519 0.892 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286923 666903563 /nfs/dbraw/zinc/90/35/63/666903563.db2.gz QTDWYZZCOHOVID-WCQYABFASA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286923 666903565 /nfs/dbraw/zinc/90/35/65/666903565.db2.gz QTDWYZZCOHOVID-WCQYABFASA-N 2 2 352.401 0.767 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997178977 667124718 /nfs/dbraw/zinc/12/47/18/667124718.db2.gz VVWVSJZBWUWCKI-XJKCOSOUSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997178977 667124722 /nfs/dbraw/zinc/12/47/22/667124722.db2.gz VVWVSJZBWUWCKI-XJKCOSOUSA-N 2 2 367.519 0.974 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999498610 667241141 /nfs/dbraw/zinc/24/11/41/667241141.db2.gz WYYCHHSMMXKHNH-HZSPNIEDSA-N 2 2 367.519 0.900 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)s1 ZINC000999498610 667241145 /nfs/dbraw/zinc/24/11/45/667241145.db2.gz WYYCHHSMMXKHNH-HZSPNIEDSA-N 2 2 367.519 0.900 20 0 FCADLP COC(=O)[C@@H](F)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000888403246 667510743 /nfs/dbraw/zinc/51/07/43/667510743.db2.gz FADOYNHURMCSPB-AWEZNQCLSA-N 2 2 358.458 0.747 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000737043228 667556263 /nfs/dbraw/zinc/55/62/63/667556263.db2.gz GRULAHXCTMQHCX-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCO1 ZINC000737043228 667556270 /nfs/dbraw/zinc/55/62/70/667556270.db2.gz GRULAHXCTMQHCX-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H](CCO)c1cccs1)[NH+]1CCOCC1 ZINC000754383322 667594902 /nfs/dbraw/zinc/59/49/02/667594902.db2.gz JIKRWHPNTSWKCJ-CQSZACIVSA-N 2 2 355.504 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001034217886 667750034 /nfs/dbraw/zinc/75/00/34/667750034.db2.gz WTPHIJZCTTUNFA-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001034217886 667750037 /nfs/dbraw/zinc/75/00/37/667750037.db2.gz WTPHIJZCTTUNFA-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001034217886 667750040 /nfs/dbraw/zinc/75/00/40/667750040.db2.gz WTPHIJZCTTUNFA-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCS(C)(=O)=O)C2)CC[NH+]1C ZINC001034217886 667750043 /nfs/dbraw/zinc/75/00/43/667750043.db2.gz WTPHIJZCTTUNFA-OWCLPIDISA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000758752500 667782180 /nfs/dbraw/zinc/78/21/80/667782180.db2.gz BRYJADRVNAQWEW-HNNXBMFYSA-N 2 2 374.551 0.669 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000738209037 667908169 /nfs/dbraw/zinc/90/81/69/667908169.db2.gz MQWUHLPDXATUBU-QGZVFWFLSA-N 2 2 355.504 0.869 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)CC ZINC000743141721 668044294 /nfs/dbraw/zinc/04/42/94/668044294.db2.gz YNFWTSCAFJBQQL-OAHLLOKOSA-N 2 2 362.540 0.479 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)CC ZINC000743141721 668044296 /nfs/dbraw/zinc/04/42/96/668044296.db2.gz YNFWTSCAFJBQQL-OAHLLOKOSA-N 2 2 362.540 0.479 20 0 FCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000770037653 668169292 /nfs/dbraw/zinc/16/92/92/668169292.db2.gz DMFKNBQCZZYBBH-CQSZACIVSA-N 2 2 351.451 0.618 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000771320448 668248153 /nfs/dbraw/zinc/24/81/53/668248153.db2.gz FANXXWBWRVNVCL-UHFFFAOYSA-N 2 2 360.524 0.231 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000771320448 668248156 /nfs/dbraw/zinc/24/81/56/668248156.db2.gz FANXXWBWRVNVCL-UHFFFAOYSA-N 2 2 360.524 0.231 20 0 FCADLP CS(=O)(=O)CC[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000818969037 668966772 /nfs/dbraw/zinc/96/67/72/668966772.db2.gz JTFUBSNKAAQJND-UHFFFAOYSA-N 2 2 369.487 0.482 20 0 FCADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000819078509 668977018 /nfs/dbraw/zinc/97/70/18/668977018.db2.gz WWHUFXJXMZKMGV-MAUKXSAKSA-N 2 2 355.429 0.994 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnon3)CC2)O1 ZINC000963518874 674987129 /nfs/dbraw/zinc/98/71/29/674987129.db2.gz BHRBYCKKFUJMSR-FKFRUQKQSA-N 2 2 351.451 0.648 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CCC([NH2+]Cc3cnon3)CC2)O1 ZINC000963518874 674987131 /nfs/dbraw/zinc/98/71/31/674987131.db2.gz BHRBYCKKFUJMSR-FKFRUQKQSA-N 2 2 351.451 0.648 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448704 669173852 /nfs/dbraw/zinc/17/38/52/669173852.db2.gz UWGDSUUCMGTTGL-HNNXBMFYSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448704 669173856 /nfs/dbraw/zinc/17/38/56/669173856.db2.gz UWGDSUUCMGTTGL-HNNXBMFYSA-N 2 2 374.551 0.621 20 0 FCADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@@H]3NC(=O)OC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000799143000 669285327 /nfs/dbraw/zinc/28/53/27/669285327.db2.gz GDPTZQVOMZJDAO-IFIJOSMWSA-N 2 2 350.419 0.291 20 0 FCADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@@H]3NC(=O)OC[C@H]3C1)C[NH+]1CCC2CC1 ZINC000799143000 669285328 /nfs/dbraw/zinc/28/53/28/669285328.db2.gz GDPTZQVOMZJDAO-IFIJOSMWSA-N 2 2 350.419 0.291 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823724437 669357824 /nfs/dbraw/zinc/35/78/24/669357824.db2.gz YTXHGPHNFPQXSX-RDTXWAMCSA-N 2 2 352.479 0.607 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823724434 669357910 /nfs/dbraw/zinc/35/79/10/669357910.db2.gz YTXHGPHNFPQXSX-KSSFIOAISA-N 2 2 352.479 0.607 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4n[nH]c(=S)n4c3)C2)CC1 ZINC000825814509 669469802 /nfs/dbraw/zinc/46/98/02/669469802.db2.gz XNQDOGFDWYYMPC-CYBMUJFWSA-N 2 2 360.487 0.916 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4n[nH]c(=S)n4c3)C2)CC1 ZINC000825814509 669469807 /nfs/dbraw/zinc/46/98/07/669469807.db2.gz XNQDOGFDWYYMPC-CYBMUJFWSA-N 2 2 360.487 0.916 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810073019 669661554 /nfs/dbraw/zinc/66/15/54/669661554.db2.gz YSWOHVAPQCXHGT-GFCCVEGCSA-N 2 2 350.385 0.151 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810073019 669661556 /nfs/dbraw/zinc/66/15/56/669661556.db2.gz YSWOHVAPQCXHGT-GFCCVEGCSA-N 2 2 350.385 0.151 20 0 FCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000829117156 669685025 /nfs/dbraw/zinc/68/50/25/669685025.db2.gz YEUDKWLRTFYMAO-MRXNPFEDSA-N 2 2 353.488 0.620 20 0 FCADLP COC(=O)[C@H]1[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@@H]21 ZINC000813645488 669846362 /nfs/dbraw/zinc/84/63/62/669846362.db2.gz XPXJHQGHWNPZGL-OJLVUWQFSA-N 2 2 350.463 0.215 20 0 FCADLP COC(=O)[C@H]1[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@@H]21 ZINC000813645488 669846367 /nfs/dbraw/zinc/84/63/67/669846367.db2.gz XPXJHQGHWNPZGL-OJLVUWQFSA-N 2 2 350.463 0.215 20 0 FCADLP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817891533 670047012 /nfs/dbraw/zinc/04/70/12/670047012.db2.gz CLJMEHYYEJFUHS-IAGOWNOFSA-N 2 2 353.488 0.463 20 0 FCADLP COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000817907478 670047686 /nfs/dbraw/zinc/04/76/86/670047686.db2.gz PMHRENFQOWPENR-XJKSGUPXSA-N 2 2 354.472 0.862 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000837465851 670110332 /nfs/dbraw/zinc/11/03/32/670110332.db2.gz NLJHSTBHEYUIMA-AWEZNQCLSA-N 2 2 351.451 0.859 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000837465851 670110336 /nfs/dbraw/zinc/11/03/36/670110336.db2.gz NLJHSTBHEYUIMA-AWEZNQCLSA-N 2 2 351.451 0.859 20 0 FCADLP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)C2=O ZINC000842474905 670693085 /nfs/dbraw/zinc/69/30/85/670693085.db2.gz DVMAODJLAFBGCG-VMBJYNEYSA-N 2 2 353.467 0.481 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844169082 670903503 /nfs/dbraw/zinc/90/35/03/670903503.db2.gz NROZQMHGILJVPB-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844169082 670903505 /nfs/dbraw/zinc/90/35/05/670903505.db2.gz NROZQMHGILJVPB-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000844184533 670906964 /nfs/dbraw/zinc/90/69/64/670906964.db2.gz SODPSWZGYLSTCC-HNNXBMFYSA-N 2 2 373.906 0.965 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000846892330 671156550 /nfs/dbraw/zinc/15/65/50/671156550.db2.gz TVVWPQBUOZZLAY-ZDUSSCGKSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000846892330 671156552 /nfs/dbraw/zinc/15/65/52/671156552.db2.gz TVVWPQBUOZZLAY-ZDUSSCGKSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912055 671157577 /nfs/dbraw/zinc/15/75/77/671157577.db2.gz VKGPAMYWIAZSFU-OLZOCXBDSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912055 671157579 /nfs/dbraw/zinc/15/75/79/671157579.db2.gz VKGPAMYWIAZSFU-OLZOCXBDSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912055 671157584 /nfs/dbraw/zinc/15/75/84/671157584.db2.gz VKGPAMYWIAZSFU-OLZOCXBDSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846912055 671157587 /nfs/dbraw/zinc/15/75/87/671157587.db2.gz VKGPAMYWIAZSFU-OLZOCXBDSA-N 2 2 355.401 0.316 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803668119 675955099 /nfs/dbraw/zinc/95/50/99/675955099.db2.gz IJLVKIONXWIMLK-UHFFFAOYSA-N 2 2 352.435 0.018 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803668119 675955100 /nfs/dbraw/zinc/95/51/00/675955100.db2.gz IJLVKIONXWIMLK-UHFFFAOYSA-N 2 2 352.435 0.018 20 0 FCADLP C[NH+]1CCN(C[C@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)CC1 ZINC000903740724 675965800 /nfs/dbraw/zinc/96/58/00/675965800.db2.gz KJFKOOVYJJJMHD-MSOLQXFVSA-N 3 2 352.523 0.093 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783560 675973133 /nfs/dbraw/zinc/97/31/33/675973133.db2.gz ZEIRTDFEUOPWLZ-FUHWJXTLSA-N 3 2 350.507 0.561 20 0 FCADLP COc1ccc(OC)c([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000863571071 672139808 /nfs/dbraw/zinc/13/98/08/672139808.db2.gz PIZLSQWJABVSJX-JKSUJKDBSA-N 2 2 351.447 0.667 20 0 FCADLP COc1ccc(OC)c([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000863571071 672139813 /nfs/dbraw/zinc/13/98/13/672139813.db2.gz PIZLSQWJABVSJX-JKSUJKDBSA-N 2 2 351.447 0.667 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232715 672390063 /nfs/dbraw/zinc/39/00/63/672390063.db2.gz RZRYPUHQLHDAGG-ZBFHGGJFSA-N 2 2 372.535 0.231 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC[C@@H]21 ZINC000868232715 672390064 /nfs/dbraw/zinc/39/00/64/672390064.db2.gz RZRYPUHQLHDAGG-ZBFHGGJFSA-N 2 2 372.535 0.231 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)CCSC1 ZINC000868355771 672395309 /nfs/dbraw/zinc/39/53/09/672395309.db2.gz NXWUXTYETQHGIO-SFHVURJKSA-N 2 2 369.579 0.845 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000868423800 672400299 /nfs/dbraw/zinc/40/02/99/672400299.db2.gz RZDJNALGCINGOW-NVXWUHKLSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@@H](NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000868423800 672400302 /nfs/dbraw/zinc/40/03/02/672400302.db2.gz RZDJNALGCINGOW-NVXWUHKLSA-N 2 2 353.511 0.127 20 0 FCADLP CN1C(=O)CS/C1=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000874257034 672771454 /nfs/dbraw/zinc/77/14/54/672771454.db2.gz RMTCXCCYPCIBEG-BOPFTXTBSA-N 2 2 352.504 0.708 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000875014722 672818017 /nfs/dbraw/zinc/81/80/17/672818017.db2.gz LCULVPQLZKMXQE-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000875014722 672818025 /nfs/dbraw/zinc/81/80/25/672818025.db2.gz LCULVPQLZKMXQE-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000875014722 672818032 /nfs/dbraw/zinc/81/80/32/672818032.db2.gz LCULVPQLZKMXQE-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000875014722 672818036 /nfs/dbraw/zinc/81/80/36/672818036.db2.gz LCULVPQLZKMXQE-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000875042554 672822284 /nfs/dbraw/zinc/82/22/84/672822284.db2.gz VXYMHFGXLLEYJZ-YESZJQIVSA-N 2 2 356.511 0.896 20 0 FCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000875042554 672822288 /nfs/dbraw/zinc/82/22/88/672822288.db2.gz VXYMHFGXLLEYJZ-YESZJQIVSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000875401038 672877806 /nfs/dbraw/zinc/87/78/06/672877806.db2.gz ULWDPPCBJVBNLM-CVEARBPZSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000875401038 672877818 /nfs/dbraw/zinc/87/78/18/672877818.db2.gz ULWDPPCBJVBNLM-CVEARBPZSA-N 2 2 354.495 0.459 20 0 FCADLP CON(C)C(=O)[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875909738 672927581 /nfs/dbraw/zinc/92/75/81/672927581.db2.gz QLMIERKDHOQYAR-HIFRSBDPSA-N 2 2 355.483 0.205 20 0 FCADLP CON(C)C(=O)[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875909738 672927583 /nfs/dbraw/zinc/92/75/83/672927583.db2.gz QLMIERKDHOQYAR-HIFRSBDPSA-N 2 2 355.483 0.205 20 0 FCADLP CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C2)CC1 ZINC001050599853 676086666 /nfs/dbraw/zinc/08/66/66/676086666.db2.gz JIPJXHRAMBAVBG-SJORKVTESA-N 2 2 351.491 0.811 20 0 FCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000879594891 673130182 /nfs/dbraw/zinc/13/01/82/673130182.db2.gz UHAFXWPQDJUGBY-UHFFFAOYSA-N 2 2 366.531 0.807 20 0 FCADLP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)co1 ZINC001051680764 676108601 /nfs/dbraw/zinc/10/86/01/676108601.db2.gz RIDNYEZUGDOAHD-UHOFOFEASA-N 2 2 352.435 0.019 20 0 FCADLP Cc1nc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)co1 ZINC001051680764 676108603 /nfs/dbraw/zinc/10/86/03/676108603.db2.gz RIDNYEZUGDOAHD-UHOFOFEASA-N 2 2 352.435 0.019 20 0 FCADLP CNS(=O)(=O)c1ccc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)cc1 ZINC000880266101 673184679 /nfs/dbraw/zinc/18/46/79/673184679.db2.gz GEJZBRXMNZBGLH-UHFFFAOYSA-N 2 2 363.487 0.922 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634010 673328771 /nfs/dbraw/zinc/32/87/71/673328771.db2.gz HIAQQEVOUFEWEY-SJORKVTESA-N 2 2 370.563 0.337 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000882634010 673328773 /nfs/dbraw/zinc/32/87/73/673328773.db2.gz HIAQQEVOUFEWEY-SJORKVTESA-N 2 2 370.563 0.337 20 0 FCADLP COC(=O)N1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000883370971 673372079 /nfs/dbraw/zinc/37/20/79/673372079.db2.gz WCWOAIKMJHLLES-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000884189795 673435170 /nfs/dbraw/zinc/43/51/70/673435170.db2.gz NBLYDOUVHVIYIN-JKSUJKDBSA-N 2 2 353.488 0.702 20 0 FCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000884224520 673439625 /nfs/dbraw/zinc/43/96/25/673439625.db2.gz RGUIIYFPQMFLAN-GOEBONIOSA-N 2 2 354.495 0.045 20 0 FCADLP C[NH2+]CCOc1ccccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000884427014 673452690 /nfs/dbraw/zinc/45/26/90/673452690.db2.gz BWNJNYKZOIXZIT-HNNXBMFYSA-N 2 2 351.447 0.050 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688679 673473333 /nfs/dbraw/zinc/47/33/33/673473333.db2.gz LKMDTTXDPRFRRM-CQSZACIVSA-N 2 2 363.487 0.119 20 0 FCADLP COC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@H]1CCCOC1 ZINC000886786742 673598968 /nfs/dbraw/zinc/59/89/68/673598968.db2.gz IXTFCBXNSBDKCE-HKUYNNGSSA-N 2 2 355.523 0.814 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749503 673685074 /nfs/dbraw/zinc/68/50/74/673685074.db2.gz IGPXJNRRCNHWLW-ROUUACIJSA-N 2 2 352.523 0.460 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889749503 673685077 /nfs/dbraw/zinc/68/50/77/673685077.db2.gz IGPXJNRRCNHWLW-ROUUACIJSA-N 2 2 352.523 0.460 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000925589858 673794576 /nfs/dbraw/zinc/79/45/76/673794576.db2.gz BYBDIZOMZHSDTA-MRXNPFEDSA-N 2 2 356.511 0.632 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000927633300 673871346 /nfs/dbraw/zinc/87/13/46/673871346.db2.gz NOMMSCKFNURRKN-IRXDYDNUSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000927633300 673871349 /nfs/dbraw/zinc/87/13/49/673871349.db2.gz NOMMSCKFNURRKN-IRXDYDNUSA-N 2 2 352.479 0.356 20 0 FCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3C3CCOCC3)C[C@H]21 ZINC000927637117 673872981 /nfs/dbraw/zinc/87/29/81/673872981.db2.gz NLZXJIOKLMSWPQ-GVDBMIGSSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCOCC3)C[C@H]21 ZINC000927637117 673872983 /nfs/dbraw/zinc/87/29/83/673872983.db2.gz NLZXJIOKLMSWPQ-GVDBMIGSSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCOCC3)C[C@H]21 ZINC000927637117 673872985 /nfs/dbraw/zinc/87/29/85/673872985.db2.gz NLZXJIOKLMSWPQ-GVDBMIGSSA-N 2 2 352.479 0.354 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928555309 673919413 /nfs/dbraw/zinc/91/94/13/673919413.db2.gz OFWFXULAZJYWPA-KBPBESRZSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928555309 673919414 /nfs/dbraw/zinc/91/94/14/673919414.db2.gz OFWFXULAZJYWPA-KBPBESRZSA-N 2 2 354.495 0.201 20 0 FCADLP CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001016742514 675404877 /nfs/dbraw/zinc/40/48/77/675404877.db2.gz CLCVCIZBCMBTSE-IXDOHACOSA-N 2 2 351.491 0.857 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001045440463 675653856 /nfs/dbraw/zinc/65/38/56/675653856.db2.gz MCYUOCFVPOEIOH-LSDHHAIUSA-N 2 2 359.536 0.732 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001045440463 675653857 /nfs/dbraw/zinc/65/38/57/675653857.db2.gz MCYUOCFVPOEIOH-LSDHHAIUSA-N 2 2 359.536 0.732 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000900443491 675682729 /nfs/dbraw/zinc/68/27/29/675682729.db2.gz UYTLTKYCULBRLL-AWEZNQCLSA-N 2 2 351.451 0.658 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000900443491 675682730 /nfs/dbraw/zinc/68/27/30/675682730.db2.gz UYTLTKYCULBRLL-AWEZNQCLSA-N 2 2 351.451 0.658 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000900844997 675723558 /nfs/dbraw/zinc/72/35/58/675723558.db2.gz IZXUOCXLDYQTTQ-ROUUACIJSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000900844997 675723561 /nfs/dbraw/zinc/72/35/61/675723561.db2.gz IZXUOCXLDYQTTQ-ROUUACIJSA-N 2 2 354.539 0.706 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C[C@H]2CCC[NH+](C)C2)CC3)CC1 ZINC001208606277 1167933977 /nfs/dbraw/zinc/93/39/77/1167933977.db2.gz DRHNRTGPWZKCGJ-KRWDZBQOSA-N 3 2 358.534 0.971 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000897512824 1192271344 /nfs/dbraw/zinc/27/13/44/1192271344.db2.gz BHBHUHSPTJDSBC-MRXNPFEDSA-N 2 2 370.457 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001020603637 1168148660 /nfs/dbraw/zinc/14/86/60/1168148660.db2.gz KDGJKTUYIQTKPP-PVTMVUMOSA-N 2 2 371.485 0.914 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192505 1168156744 /nfs/dbraw/zinc/15/67/44/1168156744.db2.gz DPNBMQJBJGIOIW-JCGIZDLHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192505 1168156749 /nfs/dbraw/zinc/15/67/49/1168156749.db2.gz DPNBMQJBJGIOIW-JCGIZDLHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192505 1168156757 /nfs/dbraw/zinc/15/67/57/1168156757.db2.gz DPNBMQJBJGIOIW-JCGIZDLHSA-N 2 2 361.490 0.482 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192505 1168156762 /nfs/dbraw/zinc/15/67/62/1168156762.db2.gz DPNBMQJBJGIOIW-JCGIZDLHSA-N 2 2 361.490 0.482 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083193696 1168276770 /nfs/dbraw/zinc/27/67/70/1168276770.db2.gz DTQJJBJPQHKMBW-DLBZAZTESA-N 2 2 364.446 0.178 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083193696 1168276779 /nfs/dbraw/zinc/27/67/79/1168276779.db2.gz DTQJJBJPQHKMBW-DLBZAZTESA-N 2 2 364.446 0.178 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(C(C)C)C1=O ZINC001266418380 1168424422 /nfs/dbraw/zinc/42/44/22/1168424422.db2.gz XXHFKXONXBZUFI-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(C(C)C)C1=O ZINC001266418380 1168424426 /nfs/dbraw/zinc/42/44/26/1168424426.db2.gz XXHFKXONXBZUFI-BZUAXINKSA-N 2 2 361.490 0.971 20 0 FCADLP CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486339 1169084528 /nfs/dbraw/zinc/08/45/28/1169084528.db2.gz MZHCZLJRONKDDQ-KXBFYZLASA-N 2 2 361.490 0.707 20 0 FCADLP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2)C(N)=O ZINC001112486461 1169096643 /nfs/dbraw/zinc/09/66/43/1169096643.db2.gz SRVPCDRKKKRLCC-KHYOSLBOSA-N 2 2 361.490 0.835 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1)C1CC1 ZINC001021488827 1169460686 /nfs/dbraw/zinc/46/06/86/1169460686.db2.gz HDAXSXYTAVJEHC-HDMKZQKVSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001021643074 1169860681 /nfs/dbraw/zinc/86/06/81/1169860681.db2.gz NSIBZMHAVAUREX-GVDBMIGSSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001021643074 1169860690 /nfs/dbraw/zinc/86/06/90/1169860690.db2.gz NSIBZMHAVAUREX-GVDBMIGSSA-N 2 2 359.474 0.815 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001021750630 1169977225 /nfs/dbraw/zinc/97/72/25/1169977225.db2.gz AJGVRCBXNCAVNF-OKZBNKHCSA-N 2 2 371.485 0.674 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC000988717129 1192398283 /nfs/dbraw/zinc/39/82/83/1192398283.db2.gz FZCMSBAMEHFZNM-UNEWFSDZSA-N 2 2 370.457 0.756 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112503208 1170133124 /nfs/dbraw/zinc/13/31/24/1170133124.db2.gz DUFHMGRNRLJEGN-WMZOPIPTSA-N 2 2 357.462 0.783 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001021885606 1170250405 /nfs/dbraw/zinc/25/04/05/1170250405.db2.gz RZKWJFPGHPJRAV-DLBZAZTESA-N 2 2 359.474 0.818 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001022009532 1170383809 /nfs/dbraw/zinc/38/38/09/1170383809.db2.gz CASRMQSVSKMXCZ-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001022009532 1170383815 /nfs/dbraw/zinc/38/38/15/1170383815.db2.gz CASRMQSVSKMXCZ-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)CC1 ZINC001022039044 1170458687 /nfs/dbraw/zinc/45/86/87/1170458687.db2.gz CRJKMYYCBCNDDX-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001022039044 1170458690 /nfs/dbraw/zinc/45/86/90/1170458690.db2.gz CRJKMYYCBCNDDX-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000971567517 1170547302 /nfs/dbraw/zinc/54/73/02/1170547302.db2.gz LPGQKDVHADULQL-QLFBSQMISA-N 2 2 359.474 0.841 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000971567517 1170547309 /nfs/dbraw/zinc/54/73/09/1170547309.db2.gz LPGQKDVHADULQL-QLFBSQMISA-N 2 2 359.474 0.841 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104367526 1170660305 /nfs/dbraw/zinc/66/03/05/1170660305.db2.gz XGAQZYZXRQURQX-BRWVUGGUSA-N 2 2 371.489 0.811 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC001022210584 1170750013 /nfs/dbraw/zinc/75/00/13/1170750013.db2.gz FGTACBMCNUFBEH-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC001022210584 1170750021 /nfs/dbraw/zinc/75/00/21/1170750021.db2.gz FGTACBMCNUFBEH-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001022251051 1170806584 /nfs/dbraw/zinc/80/65/84/1170806584.db2.gz BCKWCSWNYFQJIU-YESZJQIVSA-N 2 2 359.474 0.674 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022251937 1170807707 /nfs/dbraw/zinc/80/77/07/1170807707.db2.gz VWPITZKISNYANG-RCCFBDPRSA-N 2 2 371.485 0.674 20 0 FCADLP COc1ccnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC000971781715 1170823286 /nfs/dbraw/zinc/82/32/86/1170823286.db2.gz MZJXNLCTCUXLML-UWWQBHOKSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC000971781715 1170823288 /nfs/dbraw/zinc/82/32/88/1170823288.db2.gz MZJXNLCTCUXLML-UWWQBHOKSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccnc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC000971781715 1170823291 /nfs/dbraw/zinc/82/32/91/1170823291.db2.gz MZJXNLCTCUXLML-UWWQBHOKSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccnc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC000971781715 1170823293 /nfs/dbraw/zinc/82/32/93/1170823293.db2.gz MZJXNLCTCUXLML-UWWQBHOKSA-N 2 2 362.474 0.842 20 0 FCADLP CCn1nnc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781880 1170823471 /nfs/dbraw/zinc/82/34/71/1170823471.db2.gz NEJYQONFBRRJNQ-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971781880 1170823473 /nfs/dbraw/zinc/82/34/73/1170823473.db2.gz NEJYQONFBRRJNQ-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971781880 1170823475 /nfs/dbraw/zinc/82/34/75/1170823475.db2.gz NEJYQONFBRRJNQ-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP CCn1nnc(C)c1C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971781880 1170823481 /nfs/dbraw/zinc/82/34/81/1170823481.db2.gz NEJYQONFBRRJNQ-UKPHBRMFSA-N 2 2 364.494 0.358 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1nnnn1C1CC1 ZINC001022274949 1170824289 /nfs/dbraw/zinc/82/42/89/1170824289.db2.gz FBHRHUGHRLGSRN-XLFUENPSSA-N 2 2 363.466 0.025 20 0 FCADLP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1nnnn1C1CC1 ZINC001022274949 1170824290 /nfs/dbraw/zinc/82/42/90/1170824290.db2.gz FBHRHUGHRLGSRN-XLFUENPSSA-N 2 2 363.466 0.025 20 0 FCADLP CCCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022277055 1170824861 /nfs/dbraw/zinc/82/48/61/1170824861.db2.gz VCTAIGZWLLMACD-APIJFGDWSA-N 2 2 365.478 0.868 20 0 FCADLP CCCCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022277055 1170824862 /nfs/dbraw/zinc/82/48/62/1170824862.db2.gz VCTAIGZWLLMACD-APIJFGDWSA-N 2 2 365.478 0.868 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022313852 1170849188 /nfs/dbraw/zinc/84/91/88/1170849188.db2.gz ZCUIVVBNQNAZCX-YQQAZPJKSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022313852 1170849189 /nfs/dbraw/zinc/84/91/89/1170849189.db2.gz ZCUIVVBNQNAZCX-YQQAZPJKSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001022313942 1170849244 /nfs/dbraw/zinc/84/92/44/1170849244.db2.gz AUEGCXHCQQIUFH-DOTOQJQBSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCOCC3)C2)o1 ZINC001691256877 1170894829 /nfs/dbraw/zinc/89/48/29/1170894829.db2.gz MAAKWHHVXDPYBW-LSDHHAIUSA-N 2 2 351.451 0.475 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1)[NH+](C)C ZINC001022377919 1170897131 /nfs/dbraw/zinc/89/71/31/1170897131.db2.gz YXVRHJGXNVBJNA-HRCADAONSA-N 2 2 361.490 0.752 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022378319 1170897826 /nfs/dbraw/zinc/89/78/26/1170897826.db2.gz JJZGESPJIYKHJT-HRCADAONSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022378319 1170897827 /nfs/dbraw/zinc/89/78/27/1170897827.db2.gz JJZGESPJIYKHJT-HRCADAONSA-N 2 2 359.474 0.364 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)([NH+]2CCOCC2)C1 ZINC000891858400 1171007339 /nfs/dbraw/zinc/00/73/39/1171007339.db2.gz PDGAYLIWELYHNL-VZDIDWBNSA-N 2 2 366.506 0.792 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087183245 1171063323 /nfs/dbraw/zinc/06/33/23/1171063323.db2.gz KMSBUPYWBODYLO-OAGGEKHMSA-N 2 2 371.489 0.991 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]CCCO ZINC001691323576 1171092798 /nfs/dbraw/zinc/09/27/98/1171092798.db2.gz MUVABWCLWHMDQY-ZMSDIMECSA-N 2 2 350.463 0.281 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022523043 1171357160 /nfs/dbraw/zinc/35/71/60/1171357160.db2.gz SILYMYJBFAZNBM-HRCADAONSA-N 2 2 357.458 0.353 20 0 FCADLP CC1CC[NH+](CC(=O)N2CCO[C@@H]3CN(Cc4c[nH+]cn4C)C[C@@H]32)CC1 ZINC001083233340 1171435116 /nfs/dbraw/zinc/43/51/16/1171435116.db2.gz VKOPCHBYGJDABM-ZWKOTPCHSA-N 2 2 361.490 0.564 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1 ZINC000988777608 1192466688 /nfs/dbraw/zinc/46/66/88/1192466688.db2.gz VCBJNQMJQPFRKR-OWCLPIDISA-N 2 2 363.462 0.098 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1 ZINC000988777608 1192466692 /nfs/dbraw/zinc/46/66/92/1192466692.db2.gz VCBJNQMJQPFRKR-OWCLPIDISA-N 2 2 363.462 0.098 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892050957 1171526470 /nfs/dbraw/zinc/52/64/70/1171526470.db2.gz JRLXQVQSLHMVFI-GOSISDBHSA-N 2 2 364.490 0.731 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892050957 1171526475 /nfs/dbraw/zinc/52/64/75/1171526475.db2.gz JRLXQVQSLHMVFI-GOSISDBHSA-N 2 2 364.490 0.731 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000072697158 1171798779 /nfs/dbraw/zinc/79/87/79/1171798779.db2.gz FDMJSRSEHCWZPD-MRXNPFEDSA-N 2 2 371.485 0.721 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972153101 1171806718 /nfs/dbraw/zinc/80/67/18/1171806718.db2.gz UXLCBAUZWNHPMC-IXDOHACOSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972153101 1171806720 /nfs/dbraw/zinc/80/67/20/1171806720.db2.gz UXLCBAUZWNHPMC-IXDOHACOSA-N 2 2 359.474 0.815 20 0 FCADLP CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000972248943 1171884331 /nfs/dbraw/zinc/88/43/31/1171884331.db2.gz UJMZIEJBUXFCAM-HUUCEWRRSA-N 2 2 359.474 0.842 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083248689 1172009894 /nfs/dbraw/zinc/00/98/94/1172009894.db2.gz SSGYATAPHULBBT-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@@H]21 ZINC001083248689 1172009902 /nfs/dbraw/zinc/00/99/02/1172009902.db2.gz SSGYATAPHULBBT-BPQIPLTHSA-N 2 2 362.474 0.691 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022842298 1172054816 /nfs/dbraw/zinc/05/48/16/1172054816.db2.gz HMCYSIYMXQYYPL-XJKSGUPXSA-N 2 2 371.441 0.980 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@H](O)C1CC1 ZINC000079771017 1172081549 /nfs/dbraw/zinc/08/15/49/1172081549.db2.gz OFAZTGXBCJRWNP-IBGZPJMESA-N 2 2 361.486 0.838 20 0 FCADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C[C@H](O)C1CC1 ZINC000079771017 1172081557 /nfs/dbraw/zinc/08/15/57/1172081557.db2.gz OFAZTGXBCJRWNP-IBGZPJMESA-N 2 2 361.486 0.838 20 0 FCADLP CN1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001083460722 1192503886 /nfs/dbraw/zinc/50/38/86/1192503886.db2.gz VMGFFNDYIXPCOR-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP CN1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001083460722 1192503890 /nfs/dbraw/zinc/50/38/90/1192503890.db2.gz VMGFFNDYIXPCOR-OAGGEKHMSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC000988987010 1192614993 /nfs/dbraw/zinc/61/49/93/1192614993.db2.gz CLLZYXMIPROWLF-INMHGKMJSA-N 2 2 370.457 0.756 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000989049062 1192653507 /nfs/dbraw/zinc/65/35/07/1192653507.db2.gz KYLHZQHPJWDZOQ-VYDXJSESSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000989049062 1192653512 /nfs/dbraw/zinc/65/35/12/1192653512.db2.gz KYLHZQHPJWDZOQ-VYDXJSESSA-N 2 2 361.490 0.800 20 0 FCADLP CCOCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001691548769 1192869536 /nfs/dbraw/zinc/86/95/36/1192869536.db2.gz XNNHLPIZYXKVAJ-IPMKNSEASA-N 2 2 361.486 0.938 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001691548769 1192869537 /nfs/dbraw/zinc/86/95/37/1192869537.db2.gz XNNHLPIZYXKVAJ-IPMKNSEASA-N 2 2 361.486 0.938 20 0 FCADLP CCOCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001691548769 1192869538 /nfs/dbraw/zinc/86/95/38/1192869538.db2.gz XNNHLPIZYXKVAJ-IPMKNSEASA-N 2 2 361.486 0.938 20 0 FCADLP CCOCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001691548769 1192869540 /nfs/dbraw/zinc/86/95/40/1192869540.db2.gz XNNHLPIZYXKVAJ-IPMKNSEASA-N 2 2 361.486 0.938 20 0 FCADLP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)C(=O)N(C)C ZINC001104441514 1178868696 /nfs/dbraw/zinc/86/86/96/1178868696.db2.gz SGEBINOOSYBSEL-OWCLPIDISA-N 2 2 363.506 0.904 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)on1 ZINC001691760946 1178976011 /nfs/dbraw/zinc/97/60/11/1178976011.db2.gz OBNCNTQQJDXFIX-LZWOXQAQSA-N 2 2 366.462 0.731 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)on1 ZINC001691760946 1178976030 /nfs/dbraw/zinc/97/60/30/1178976030.db2.gz OBNCNTQQJDXFIX-LZWOXQAQSA-N 2 2 366.462 0.731 20 0 FCADLP CCn1ccnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451001 1179754377 /nfs/dbraw/zinc/75/43/77/1179754377.db2.gz LNIGFPUVBHUYCR-BRWVUGGUSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451001 1179754387 /nfs/dbraw/zinc/75/43/87/1179754387.db2.gz LNIGFPUVBHUYCR-BRWVUGGUSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451001 1179754395 /nfs/dbraw/zinc/75/43/95/1179754395.db2.gz LNIGFPUVBHUYCR-BRWVUGGUSA-N 2 2 363.506 0.950 20 0 FCADLP CCn1ccnc1C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451001 1179754407 /nfs/dbraw/zinc/75/44/07/1179754407.db2.gz LNIGFPUVBHUYCR-BRWVUGGUSA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001087241790 1179760180 /nfs/dbraw/zinc/76/01/80/1179760180.db2.gz NMOGLABFAUYZGX-ZBFHGGJFSA-N 2 2 359.478 0.898 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972587458 1179853435 /nfs/dbraw/zinc/85/34/35/1179853435.db2.gz FTIXUNYXKVTFRH-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972587458 1179853436 /nfs/dbraw/zinc/85/34/36/1179853436.db2.gz FTIXUNYXKVTFRH-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Nc1ncccn1 ZINC001267430784 1180539486 /nfs/dbraw/zinc/53/94/86/1180539486.db2.gz VDZLHPHDSCWEKC-MGPQQGTHSA-N 2 2 371.445 0.389 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001024163794 1180931340 /nfs/dbraw/zinc/93/13/40/1180931340.db2.gz NFNSFRNOGAFPBJ-MGPQQGTHSA-N 2 2 358.450 0.076 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)[nH]1 ZINC001024165627 1180934534 /nfs/dbraw/zinc/93/45/34/1180934534.db2.gz TXQSJYRAMJNFSY-RRFJBIMHSA-N 2 2 357.462 0.979 20 0 FCADLP CCn1nncc1C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506594 1181261908 /nfs/dbraw/zinc/26/19/08/1181261908.db2.gz NYWOCBKNFDWCIY-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506594 1181261912 /nfs/dbraw/zinc/26/19/12/1181261912.db2.gz NYWOCBKNFDWCIY-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506594 1181261918 /nfs/dbraw/zinc/26/19/18/1181261918.db2.gz NYWOCBKNFDWCIY-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP CCn1nncc1C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506594 1181261924 /nfs/dbraw/zinc/26/19/24/1181261924.db2.gz NYWOCBKNFDWCIY-HLLBOEOZSA-N 2 2 364.494 0.488 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N(C)C2CC2)O1 ZINC001024507724 1181262612 /nfs/dbraw/zinc/26/26/12/1181262612.db2.gz XSFGDYLTQBSUND-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(=O)N(C)C2CC2)O1 ZINC001024507724 1181262619 /nfs/dbraw/zinc/26/26/19/1181262619.db2.gz XSFGDYLTQBSUND-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C2CC2)O1 ZINC001024507724 1181262628 /nfs/dbraw/zinc/26/26/28/1181262628.db2.gz XSFGDYLTQBSUND-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C2CC2)O1 ZINC001024507724 1181262636 /nfs/dbraw/zinc/26/26/36/1181262636.db2.gz XSFGDYLTQBSUND-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000947250247 1181658487 /nfs/dbraw/zinc/65/84/87/1181658487.db2.gz TVSZDJJABUKWFH-GDBMZVCRSA-N 2 2 363.462 0.018 20 0 FCADLP COc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)ccn1 ZINC001083273654 1181734647 /nfs/dbraw/zinc/73/46/47/1181734647.db2.gz CLTNRRRUJKFTEG-YESZJQIVSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)ccn1 ZINC001083273654 1181734653 /nfs/dbraw/zinc/73/46/53/1181734653.db2.gz CLTNRRRUJKFTEG-YESZJQIVSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@H]3C2)ccn1 ZINC001083273654 1181734659 /nfs/dbraw/zinc/73/46/59/1181734659.db2.gz CLTNRRRUJKFTEG-YESZJQIVSA-N 2 2 360.458 0.454 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@H]3C2)ccn1 ZINC001083273654 1181734664 /nfs/dbraw/zinc/73/46/64/1181734664.db2.gz CLTNRRRUJKFTEG-YESZJQIVSA-N 2 2 360.458 0.454 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)n1 ZINC001083274848 1181777091 /nfs/dbraw/zinc/77/70/91/1181777091.db2.gz CDCZYSWUXYCHAN-ZWKOTPCHSA-N 2 2 361.490 0.507 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)n1 ZINC001083274848 1181777092 /nfs/dbraw/zinc/77/70/92/1181777092.db2.gz CDCZYSWUXYCHAN-ZWKOTPCHSA-N 2 2 361.490 0.507 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1C ZINC001024998948 1181844098 /nfs/dbraw/zinc/84/40/98/1181844098.db2.gz MTMMHHCSRXWLRA-KBAYOESNSA-N 2 2 363.506 0.918 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1C ZINC001024998948 1181844101 /nfs/dbraw/zinc/84/41/01/1181844101.db2.gz MTMMHHCSRXWLRA-KBAYOESNSA-N 2 2 363.506 0.918 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC000972990297 1181851157 /nfs/dbraw/zinc/85/11/57/1181851157.db2.gz SXYBIAOEKFHYHC-IAGOWNOFSA-N 2 2 359.474 0.674 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083275563 1181852499 /nfs/dbraw/zinc/85/24/99/1181852499.db2.gz KYHNHYIAMJYPDS-IPMKNSEASA-N 2 2 359.470 0.727 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]21 ZINC001083275563 1181852502 /nfs/dbraw/zinc/85/25/02/1181852502.db2.gz KYHNHYIAMJYPDS-IPMKNSEASA-N 2 2 359.470 0.727 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001745317956 1181959578 /nfs/dbraw/zinc/95/95/78/1181959578.db2.gz HCDGXSNOTGRWDX-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001745317956 1181959584 /nfs/dbraw/zinc/95/95/84/1181959584.db2.gz HCDGXSNOTGRWDX-OWCLPIDISA-N 2 2 361.490 0.750 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnon3)C2)C1 ZINC001104579409 1182207496 /nfs/dbraw/zinc/20/74/96/1182207496.db2.gz BRYMXSKWVVWXNW-BFYDXBDKSA-N 2 2 365.478 0.753 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3cnon3)C2)C1 ZINC001104579409 1182207498 /nfs/dbraw/zinc/20/74/98/1182207498.db2.gz BRYMXSKWVVWXNW-BFYDXBDKSA-N 2 2 365.478 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@@H+]1C ZINC000973330147 1182239513 /nfs/dbraw/zinc/23/95/13/1182239513.db2.gz FRGSVMUZVNKQLN-DRXUAVOGSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@H+]1C ZINC000973330147 1182239517 /nfs/dbraw/zinc/23/95/17/1182239517.db2.gz FRGSVMUZVNKQLN-DRXUAVOGSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC[N@@H+]1C ZINC000973330450 1182239883 /nfs/dbraw/zinc/23/98/83/1182239883.db2.gz MVCXUATUNLMNCG-OXGONZEZSA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC[N@H+]1C ZINC000973330450 1182239890 /nfs/dbraw/zinc/23/98/90/1182239890.db2.gz MVCXUATUNLMNCG-OXGONZEZSA-N 2 2 359.474 0.549 20 0 FCADLP CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001745363611 1182259275 /nfs/dbraw/zinc/25/92/75/1182259275.db2.gz JUMLYEAJTZAOQR-HUUCEWRRSA-N 2 2 361.490 0.830 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000973432465 1182304418 /nfs/dbraw/zinc/30/44/18/1182304418.db2.gz BXXRFVXJTSCMTD-OXGONZEZSA-N 2 2 359.474 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000973432465 1182304425 /nfs/dbraw/zinc/30/44/25/1182304425.db2.gz BXXRFVXJTSCMTD-OXGONZEZSA-N 2 2 359.474 0.771 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104665170 1182346444 /nfs/dbraw/zinc/34/64/44/1182346444.db2.gz OQOXNORVPDTPMZ-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021471 1182389194 /nfs/dbraw/zinc/38/91/94/1182389194.db2.gz PBJTUWGEUXSPLS-YJBOKZPZSA-N 2 2 362.478 0.561 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021471 1182389199 /nfs/dbraw/zinc/38/91/99/1182389199.db2.gz PBJTUWGEUXSPLS-YJBOKZPZSA-N 2 2 362.478 0.561 20 0 FCADLP C[C@H](NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C1CC1 ZINC001104732296 1182406500 /nfs/dbraw/zinc/40/65/00/1182406500.db2.gz RWLUXRZGKDAJMZ-IJEWVQPXSA-N 2 2 361.490 0.941 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815078 1182859646 /nfs/dbraw/zinc/85/96/46/1182859646.db2.gz OSYVVOQSFQGJIM-QHNADIDASA-N 2 2 369.469 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815078 1182859647 /nfs/dbraw/zinc/85/96/47/1182859647.db2.gz OSYVVOQSFQGJIM-QHNADIDASA-N 2 2 369.469 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815078 1182859650 /nfs/dbraw/zinc/85/96/50/1182859650.db2.gz OSYVVOQSFQGJIM-QHNADIDASA-N 2 2 369.469 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815078 1182859652 /nfs/dbraw/zinc/85/96/52/1182859652.db2.gz OSYVVOQSFQGJIM-QHNADIDASA-N 2 2 369.469 0.713 20 0 FCADLP Cn1[nH]c(=O)c2c1CN(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000893025292 1182866727 /nfs/dbraw/zinc/86/67/27/1182866727.db2.gz ZBZHZXODSVMHPB-ZDUSSCGKSA-N 2 2 362.478 0.362 20 0 FCADLP Cn1[nH]c(=O)c2c1CN(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000893025292 1182866729 /nfs/dbraw/zinc/86/67/29/1182866729.db2.gz ZBZHZXODSVMHPB-ZDUSSCGKSA-N 2 2 362.478 0.362 20 0 FCADLP Cn1[nH]c(=O)c2c1CN(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000893025286 1182866795 /nfs/dbraw/zinc/86/67/95/1182866795.db2.gz 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/nfs/dbraw/zinc/62/07/60/1186620760.db2.gz GLKRVPFACKLZCT-CEXWTWQISA-N 2 2 370.497 0.755 20 0 FCADLP C[NH+]1C[C@H](C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC000982006403 1186620762 /nfs/dbraw/zinc/62/07/62/1186620762.db2.gz GLKRVPFACKLZCT-CEXWTWQISA-N 2 2 370.497 0.755 20 0 FCADLP C[NH+]1C[C@H](C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)[C@@H](c2ccccc2)C1 ZINC000982006403 1186620767 /nfs/dbraw/zinc/62/07/67/1186620767.db2.gz GLKRVPFACKLZCT-CEXWTWQISA-N 2 2 370.497 0.755 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H]1CCN(C)C1=O)C2 ZINC000982021957 1186630100 /nfs/dbraw/zinc/63/01/00/1186630100.db2.gz NRFMUEKLWCODSY-OAGGEKHMSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCN(C)C1=O)C2 ZINC000982021957 1186630103 /nfs/dbraw/zinc/63/01/03/1186630103.db2.gz NRFMUEKLWCODSY-OAGGEKHMSA-N 2 2 371.485 0.679 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211713226 1186696468 /nfs/dbraw/zinc/69/64/68/1186696468.db2.gz CHPGJNXQNIXWLP-FUHWJXTLSA-N 2 2 369.469 0.933 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)[NH+]1CCOCC1 ZINC000332705591 1187536738 /nfs/dbraw/zinc/53/67/38/1187536738.db2.gz VQQYXDVAGFWIKI-BRWVUGGUSA-N 2 2 369.506 0.075 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)[NH+]1CCOCC1 ZINC000332705591 1187536741 /nfs/dbraw/zinc/53/67/41/1187536741.db2.gz VQQYXDVAGFWIKI-BRWVUGGUSA-N 2 2 369.506 0.075 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644816 1187581888 /nfs/dbraw/zinc/58/18/88/1187581888.db2.gz CDBBHJSBMGRGEZ-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644816 1187581893 /nfs/dbraw/zinc/58/18/93/1187581893.db2.gz CDBBHJSBMGRGEZ-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644816 1187581898 /nfs/dbraw/zinc/58/18/98/1187581898.db2.gz CDBBHJSBMGRGEZ-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001075644816 1187581904 /nfs/dbraw/zinc/58/19/04/1187581904.db2.gz CDBBHJSBMGRGEZ-GVDBMIGSSA-N 2 2 360.458 0.454 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571196 1187584046 /nfs/dbraw/zinc/58/40/46/1187584046.db2.gz ISIROSZBKHBKFX-DGKBOYHPSA-N 2 2 359.474 0.568 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571196 1187584051 /nfs/dbraw/zinc/58/40/51/1187584051.db2.gz ISIROSZBKHBKFX-DGKBOYHPSA-N 2 2 359.474 0.568 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC001028549997 1187602699 /nfs/dbraw/zinc/60/26/99/1187602699.db2.gz DWXWJLQTQQMAJF-BZUAXINKSA-N 2 2 360.506 0.893 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC001028549997 1187602703 /nfs/dbraw/zinc/60/27/03/1187602703.db2.gz DWXWJLQTQQMAJF-BZUAXINKSA-N 2 2 360.506 0.893 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3nnc4n3CCCC4)C2)CC[NH+]1C ZINC001028549997 1187602706 /nfs/dbraw/zinc/60/27/06/1187602706.db2.gz DWXWJLQTQQMAJF-BZUAXINKSA-N 2 2 360.506 0.893 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)C2)CC[NH+]1C ZINC001028549997 1187602707 /nfs/dbraw/zinc/60/27/07/1187602707.db2.gz DWXWJLQTQQMAJF-BZUAXINKSA-N 2 2 360.506 0.893 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372841 1187693229 /nfs/dbraw/zinc/69/32/29/1187693229.db2.gz HKEBRZIZENOOBG-KURKYZTESA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372841 1187693233 /nfs/dbraw/zinc/69/32/33/1187693233.db2.gz HKEBRZIZENOOBG-KURKYZTESA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372841 1187693235 /nfs/dbraw/zinc/69/32/35/1187693235.db2.gz HKEBRZIZENOOBG-KURKYZTESA-N 2 2 361.486 0.938 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372841 1187693238 /nfs/dbraw/zinc/69/32/38/1187693238.db2.gz HKEBRZIZENOOBG-KURKYZTESA-N 2 2 361.486 0.938 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372327 1187693883 /nfs/dbraw/zinc/69/38/83/1187693883.db2.gz LASDHICJBCMGKV-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372327 1187693886 /nfs/dbraw/zinc/69/38/86/1187693886.db2.gz LASDHICJBCMGKV-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372327 1187693890 /nfs/dbraw/zinc/69/38/90/1187693890.db2.gz LASDHICJBCMGKV-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372327 1187693892 /nfs/dbraw/zinc/69/38/92/1187693892.db2.gz LASDHICJBCMGKV-OAGGEKHMSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385084 1187713290 /nfs/dbraw/zinc/71/32/90/1187713290.db2.gz DCZWEEGZWQWBNO-RYRKJORJSA-N 2 2 359.426 0.425 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385084 1187713292 /nfs/dbraw/zinc/71/32/92/1187713292.db2.gz DCZWEEGZWQWBNO-RYRKJORJSA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385084 1187713295 /nfs/dbraw/zinc/71/32/95/1187713295.db2.gz DCZWEEGZWQWBNO-RYRKJORJSA-N 2 2 359.426 0.425 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2O)C1 ZINC001083385084 1187713297 /nfs/dbraw/zinc/71/32/97/1187713297.db2.gz DCZWEEGZWQWBNO-RYRKJORJSA-N 2 2 359.426 0.425 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333433734 1187741582 /nfs/dbraw/zinc/74/15/82/1187741582.db2.gz KEHISOAKEWGCJA-JKSUJKDBSA-N 2 2 362.478 0.964 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000333433734 1187741589 /nfs/dbraw/zinc/74/15/89/1187741589.db2.gz KEHISOAKEWGCJA-JKSUJKDBSA-N 2 2 362.478 0.964 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000983018293 1187816261 /nfs/dbraw/zinc/81/62/61/1187816261.db2.gz JTFBFZXGVKOGJW-BZUAXINKSA-N 2 2 371.485 0.584 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C(=O)N2CCOCC2)C(C)C)CC1 ZINC000545916615 1187835745 /nfs/dbraw/zinc/83/57/45/1187835745.db2.gz CCUJVCVULSSLBZ-SFHVURJKSA-N 2 2 369.506 0.877 20 0 FCADLP CCn1nnc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001269494335 1187852829 /nfs/dbraw/zinc/85/28/29/1187852829.db2.gz YUDDUZURWJCYCE-ZIAGYGMSSA-N 2 2 357.462 0.882 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001028808915 1187906829 /nfs/dbraw/zinc/90/68/29/1187906829.db2.gz HDFIOCBGKRPBKV-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001028808915 1187906831 /nfs/dbraw/zinc/90/68/31/1187906831.db2.gz HDFIOCBGKRPBKV-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812346 1187910212 /nfs/dbraw/zinc/91/02/12/1187910212.db2.gz ZOTPVUXMZDSXAF-NUEKZKHPSA-N 2 2 370.457 0.961 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001028812346 1187910230 /nfs/dbraw/zinc/91/02/30/1187910230.db2.gz ZOTPVUXMZDSXAF-NUEKZKHPSA-N 2 2 370.457 0.961 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001691505925 1187974229 /nfs/dbraw/zinc/97/42/29/1187974229.db2.gz IFLGDJNAOIYOJU-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001691505925 1187974232 /nfs/dbraw/zinc/97/42/32/1187974232.db2.gz IFLGDJNAOIYOJU-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001691505925 1187974236 /nfs/dbraw/zinc/97/42/36/1187974236.db2.gz IFLGDJNAOIYOJU-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001691505925 1187974238 /nfs/dbraw/zinc/97/42/38/1187974238.db2.gz IFLGDJNAOIYOJU-BRWVUGGUSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@H](C(=O)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1)[NH+]1CCCC1 ZINC001270490557 1188174984 /nfs/dbraw/zinc/17/49/84/1188174984.db2.gz NDCHGQXXUXCWKZ-VQIMIIECSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@H](C(=O)N1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O)[NH+]1CCCC1 ZINC001270490753 1188175431 /nfs/dbraw/zinc/17/54/31/1188175431.db2.gz RBMBGYSDTINTBK-BEFAXECRSA-N 2 2 359.474 0.998 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(=O)Nc1ccon1 ZINC001270516276 1188183568 /nfs/dbraw/zinc/18/35/68/1188183568.db2.gz AJXJVMRHQXVJBR-YNEHKIRRSA-N 2 2 360.418 0.492 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)([NH+]2CCOCC2)C1 ZINC000894463953 1188219786 /nfs/dbraw/zinc/21/97/86/1188219786.db2.gz BMCDSGJYGNJQAU-XNGIKWSVSA-N 2 2 366.506 0.602 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)([NH+]2CCOCC2)C1 ZINC000894463953 1188219790 /nfs/dbraw/zinc/21/97/90/1188219790.db2.gz BMCDSGJYGNJQAU-XNGIKWSVSA-N 2 2 366.506 0.602 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000550096435 1188224237 /nfs/dbraw/zinc/22/42/37/1188224237.db2.gz RBXCIFQMMIMAGM-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000550096435 1188224244 /nfs/dbraw/zinc/22/42/44/1188224244.db2.gz RBXCIFQMMIMAGM-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000550096436 1188224393 /nfs/dbraw/zinc/22/43/93/1188224393.db2.gz RBXCIFQMMIMAGM-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000550096436 1188224395 /nfs/dbraw/zinc/22/43/95/1188224395.db2.gz RBXCIFQMMIMAGM-QGZVFWFLSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc2[nH+]ccn21)C(N)=[NH2+] ZINC001270686757 1188262716 /nfs/dbraw/zinc/26/27/16/1188262716.db2.gz JEIJYKSMBQYEST-DIFFPNOSSA-N 2 2 355.402 0.089 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2)C(=O)NC1CC1 ZINC001112535849 1188322568 /nfs/dbraw/zinc/32/25/68/1188322568.db2.gz DHSIIPZBAZUZOO-TYILLQQXSA-N 2 2 359.474 0.838 20 0 FCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691512186 1188384461 /nfs/dbraw/zinc/38/44/61/1188384461.db2.gz UXQXQASWAAPDPQ-ZKXLYKBJSA-N 2 2 369.506 0.386 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000984021899 1189376614 /nfs/dbraw/zinc/37/66/14/1189376614.db2.gz OBCQDOYLIOZOPE-CABCVRRESA-N 2 2 359.474 0.791 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1nc(C)cc1C ZINC001087529520 1189385400 /nfs/dbraw/zinc/38/54/00/1189385400.db2.gz KAWQFVZYCBYOGM-KSZLIROESA-N 2 2 363.506 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1nc(C)cc1C ZINC001087529520 1189385405 /nfs/dbraw/zinc/38/54/05/1189385405.db2.gz KAWQFVZYCBYOGM-KSZLIROESA-N 2 2 363.506 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCn1nc(C)cc1C ZINC001087529520 1189385411 /nfs/dbraw/zinc/38/54/11/1189385411.db2.gz KAWQFVZYCBYOGM-KSZLIROESA-N 2 2 363.506 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1nc(C)cc1C ZINC001087529520 1189385415 /nfs/dbraw/zinc/38/54/15/1189385415.db2.gz KAWQFVZYCBYOGM-KSZLIROESA-N 2 2 363.506 0.800 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000550458106 1189501852 /nfs/dbraw/zinc/50/18/52/1189501852.db2.gz QCLFJEZVFBPEJM-MRXNPFEDSA-N 2 2 365.478 0.253 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000550458106 1189501870 /nfs/dbraw/zinc/50/18/70/1189501870.db2.gz QCLFJEZVFBPEJM-MRXNPFEDSA-N 2 2 365.478 0.253 20 0 FCADLP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000247358395 1189559111 /nfs/dbraw/zinc/55/91/11/1189559111.db2.gz YNLAKBWGVKIWBL-BPQIPLTHSA-N 2 2 368.522 0.774 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CC(=O)N1CCC1 ZINC001087602574 1189652134 /nfs/dbraw/zinc/65/21/34/1189652134.db2.gz VBHXQVJELRHQLA-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CC(=O)N1CCC1 ZINC001087602574 1189652139 /nfs/dbraw/zinc/65/21/39/1189652139.db2.gz VBHXQVJELRHQLA-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cc(C)ncn1 ZINC001087622339 1189672173 /nfs/dbraw/zinc/67/21/73/1189672173.db2.gz GVLXQDQSINVWCB-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cc(C)ncn1 ZINC001087622339 1189672181 /nfs/dbraw/zinc/67/21/81/1189672181.db2.gz GVLXQDQSINVWCB-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(C)ncn1 ZINC001087622339 1189672187 /nfs/dbraw/zinc/67/21/87/1189672187.db2.gz GVLXQDQSINVWCB-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(C)ncn1 ZINC001087622339 1189672190 /nfs/dbraw/zinc/67/21/90/1189672190.db2.gz GVLXQDQSINVWCB-BZZMCLGOSA-N 2 2 361.490 0.973 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001087810606 1189832416 /nfs/dbraw/zinc/83/24/16/1189832416.db2.gz CEAFBNVYTBDHSJ-DZGCQCFKSA-N 2 2 361.446 0.379 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001087810606 1189832419 /nfs/dbraw/zinc/83/24/19/1189832419.db2.gz CEAFBNVYTBDHSJ-DZGCQCFKSA-N 2 2 361.446 0.379 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001087835172 1189844433 /nfs/dbraw/zinc/84/44/33/1189844433.db2.gz NOSSSQXSRFTODY-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001087835172 1189844434 /nfs/dbraw/zinc/84/44/34/1189844434.db2.gz NOSSSQXSRFTODY-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087835172 1189844435 /nfs/dbraw/zinc/84/44/35/1189844435.db2.gz NOSSSQXSRFTODY-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)N(C)C1CC1 ZINC001087835172 1189844436 /nfs/dbraw/zinc/84/44/36/1189844436.db2.gz NOSSSQXSRFTODY-GVDBMIGSSA-N 2 2 366.506 0.297 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895560851 1189865545 /nfs/dbraw/zinc/86/55/45/1189865545.db2.gz JWMYRPIBYRRSCD-CQSZACIVSA-N 2 2 357.462 0.885 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895560851 1189865547 /nfs/dbraw/zinc/86/55/47/1189865547.db2.gz JWMYRPIBYRRSCD-CQSZACIVSA-N 2 2 357.462 0.885 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000895849810 1189887906 /nfs/dbraw/zinc/88/79/06/1189887906.db2.gz ZSWFLJKMDNJIKS-MSOLQXFVSA-N 2 2 372.469 0.796 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000895849810 1189887911 /nfs/dbraw/zinc/88/79/11/1189887911.db2.gz ZSWFLJKMDNJIKS-MSOLQXFVSA-N 2 2 372.469 0.796 20 0 FCADLP CCn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)n1 ZINC001087920201 1189906055 /nfs/dbraw/zinc/90/60/55/1189906055.db2.gz HQAUXFKPHKBMQL-SOLBZPMBSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]3C2)n1 ZINC001087920201 1189906058 /nfs/dbraw/zinc/90/60/58/1189906058.db2.gz HQAUXFKPHKBMQL-SOLBZPMBSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]3C2)n1 ZINC001087920201 1189906064 /nfs/dbraw/zinc/90/60/64/1189906064.db2.gz HQAUXFKPHKBMQL-SOLBZPMBSA-N 2 2 361.490 0.514 20 0 FCADLP CCn1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)n1 ZINC001087920201 1189906069 /nfs/dbraw/zinc/90/60/69/1189906069.db2.gz HQAUXFKPHKBMQL-SOLBZPMBSA-N 2 2 361.490 0.514 20 0 FCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087988900 1190134919 /nfs/dbraw/zinc/13/49/19/1190134919.db2.gz GGZCVTPKXAMIHR-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@@H]3C2)C1=O ZINC001087988900 1190134927 /nfs/dbraw/zinc/13/49/27/1190134927.db2.gz GGZCVTPKXAMIHR-VYDXJSESSA-N 2 2 359.474 0.743 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC000984823766 1190163067 /nfs/dbraw/zinc/16/30/67/1190163067.db2.gz CFVFYGGZZORKPX-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1)[NH+](C)C ZINC001088011009 1190209009 /nfs/dbraw/zinc/20/90/09/1190209009.db2.gz UVMGAXJSSFIZQQ-OWCLPIDISA-N 2 2 366.485 0.868 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1)[NH+](C)C ZINC001088011009 1190209010 /nfs/dbraw/zinc/20/90/10/1190209010.db2.gz UVMGAXJSSFIZQQ-OWCLPIDISA-N 2 2 366.485 0.868 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088018874 1190231839 /nfs/dbraw/zinc/23/18/39/1190231839.db2.gz OJYNFXGOPXPPKM-PMPSAXMXSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001088018874 1190231843 /nfs/dbraw/zinc/23/18/43/1190231843.db2.gz OJYNFXGOPXPPKM-PMPSAXMXSA-N 2 2 359.474 0.314 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088019072 1190232093 /nfs/dbraw/zinc/23/20/93/1190232093.db2.gz VUUJNDIUGKSDAG-ZACQAIPSSA-N 2 2 369.473 0.518 20 0 FCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088019072 1190232104 /nfs/dbraw/zinc/23/21/04/1190232104.db2.gz VUUJNDIUGKSDAG-ZACQAIPSSA-N 2 2 369.473 0.518 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088019162 1190232679 /nfs/dbraw/zinc/23/26/79/1190232679.db2.gz ZIYHAFMQMQZGFH-PMPSAXMXSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088019162 1190232683 /nfs/dbraw/zinc/23/26/83/1190232683.db2.gz ZIYHAFMQMQZGFH-PMPSAXMXSA-N 2 2 359.474 0.314 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)no1 ZINC001088021416 1190240867 /nfs/dbraw/zinc/24/08/67/1190240867.db2.gz KTVNGXOICOBBPR-DVOMOZLQSA-N 2 2 361.446 0.019 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)no1 ZINC001088021416 1190240871 /nfs/dbraw/zinc/24/08/71/1190240871.db2.gz KTVNGXOICOBBPR-DVOMOZLQSA-N 2 2 361.446 0.019 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053108 1190318471 /nfs/dbraw/zinc/31/84/71/1190318471.db2.gz VAFMQIUSZZMLSL-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053108 1190318479 /nfs/dbraw/zinc/31/84/79/1190318479.db2.gz VAFMQIUSZZMLSL-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053108 1190318486 /nfs/dbraw/zinc/31/84/86/1190318486.db2.gz VAFMQIUSZZMLSL-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053108 1190318494 /nfs/dbraw/zinc/31/84/94/1190318494.db2.gz VAFMQIUSZZMLSL-IXDOHACOSA-N 2 2 366.506 0.014 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001271366762 1190491467 /nfs/dbraw/zinc/49/14/67/1190491467.db2.gz CSOQNEKSPLFXIP-GOSISDBHSA-N 2 2 361.446 0.272 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001271366762 1190491474 /nfs/dbraw/zinc/49/14/74/1190491474.db2.gz CSOQNEKSPLFXIP-GOSISDBHSA-N 2 2 361.446 0.272 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985065772 1190497273 /nfs/dbraw/zinc/49/72/73/1190497273.db2.gz NCNAMXPSSXSIBI-DLBZAZTESA-N 2 2 361.490 0.800 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088102062 1190583720 /nfs/dbraw/zinc/58/37/20/1190583720.db2.gz NBEFGOCFHFQCTL-PMPSAXMXSA-N 2 2 369.473 0.902 20 0 FCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088102062 1190583731 /nfs/dbraw/zinc/58/37/31/1190583731.db2.gz NBEFGOCFHFQCTL-PMPSAXMXSA-N 2 2 369.473 0.902 20 0 FCADLP O=C(N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001088126435 1190623736 /nfs/dbraw/zinc/62/37/36/1190623736.db2.gz DYRFZWNEGQTNPM-MSOLQXFVSA-N 2 2 365.518 0.794 20 0 FCADLP O=C(N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001088126435 1190623745 /nfs/dbraw/zinc/62/37/45/1190623745.db2.gz DYRFZWNEGQTNPM-MSOLQXFVSA-N 2 2 365.518 0.794 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)cc1=O ZINC001075865023 1190711277 /nfs/dbraw/zinc/71/12/77/1190711277.db2.gz AJTFKSPELOAGHV-DOTOQJQBSA-N 2 2 355.442 0.774 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)cc1=O ZINC001075865023 1190711283 /nfs/dbraw/zinc/71/12/83/1190711283.db2.gz AJTFKSPELOAGHV-DOTOQJQBSA-N 2 2 355.442 0.774 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)cc1=O ZINC001075865023 1190711287 /nfs/dbraw/zinc/71/12/87/1190711287.db2.gz AJTFKSPELOAGHV-DOTOQJQBSA-N 2 2 355.442 0.774 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)cc1=O ZINC001075865023 1190711295 /nfs/dbraw/zinc/71/12/95/1190711295.db2.gz AJTFKSPELOAGHV-DOTOQJQBSA-N 2 2 355.442 0.774 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000985578251 1190715378 /nfs/dbraw/zinc/71/53/78/1190715378.db2.gz DRJPDBRQVJHIHQ-IXDOHACOSA-N 2 2 359.474 0.790 20 0 FCADLP CN(CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12)c1cccc[nH+]1 ZINC001271870816 1190738900 /nfs/dbraw/zinc/73/89/00/1190738900.db2.gz NGEFKMKMOSROJP-GJZGRUSLSA-N 2 2 357.458 0.187 20 0 FCADLP CN(CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12)c1cccc[nH+]1 ZINC001271870816 1190738904 /nfs/dbraw/zinc/73/89/04/1190738904.db2.gz NGEFKMKMOSROJP-GJZGRUSLSA-N 2 2 357.458 0.187 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3nncn3C)C2)O1 ZINC001088336248 1190751189 /nfs/dbraw/zinc/75/11/89/1190751189.db2.gz YYMMLCOEAVOCOU-OWCLPIDISA-N 2 2 364.494 0.395 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCCC[C@H]([NH2+]Cc3nncn3C)C2)O1 ZINC001088336248 1190751194 /nfs/dbraw/zinc/75/11/94/1190751194.db2.gz YYMMLCOEAVOCOU-OWCLPIDISA-N 2 2 364.494 0.395 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC000985822535 1190822920 /nfs/dbraw/zinc/82/29/20/1190822920.db2.gz GJFCLUQTYZMJIA-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC000985822535 1190822924 /nfs/dbraw/zinc/82/29/24/1190822924.db2.gz GJFCLUQTYZMJIA-HLLBOEOZSA-N 2 2 359.474 0.364 20 0 FCADLP Cc1noc(CN2C[C@@]3(CC2=O)COCC[N@@H+](C2CC[NH+](C)CC2)C3)n1 ZINC001276756327 1224110415 /nfs/dbraw/zinc/11/04/15/1224110415.db2.gz NKEKJFQJUGUHLD-SFHVURJKSA-N 2 2 363.462 0.523 20 0 FCADLP Cc1noc(CN2C[C@@]3(CC2=O)COCC[N@H+](C2CC[NH+](C)CC2)C3)n1 ZINC001276756327 1224110420 /nfs/dbraw/zinc/11/04/20/1224110420.db2.gz NKEKJFQJUGUHLD-SFHVURJKSA-N 2 2 363.462 0.523 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756511 1224111932 /nfs/dbraw/zinc/11/19/32/1224111932.db2.gz STYBGBRHZUHGSL-IFXJQAMLSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CC(=O)N(C[C@@H]4CCC(=O)N4)C3=O)C2)CC1 ZINC001276756511 1224111934 /nfs/dbraw/zinc/11/19/34/1224111934.db2.gz STYBGBRHZUHGSL-IFXJQAMLSA-N 2 2 362.474 0.200 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1)C1CC1 ZINC000986257863 1190934409 /nfs/dbraw/zinc/93/44/09/1190934409.db2.gz BIWMPJYEUIFMQF-RVKKMQEKSA-N 2 2 359.474 0.599 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986332228 1190957738 /nfs/dbraw/zinc/95/77/38/1190957738.db2.gz DUUSWBZZLRNUAV-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1 ZINC000986332228 1190957740 /nfs/dbraw/zinc/95/77/40/1190957740.db2.gz DUUSWBZZLRNUAV-ZACQAIPSSA-N 2 2 359.474 0.532 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)CC1 ZINC000986338100 1190959349 /nfs/dbraw/zinc/95/93/49/1190959349.db2.gz HZWOSANTIXMQIV-CVEARBPZSA-N 2 2 359.474 0.601 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(COC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758160 1224120168 /nfs/dbraw/zinc/12/01/68/1224120168.db2.gz VEJPGWFTHXMDII-IBGZPJMESA-N 2 2 367.490 0.931 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(COC(=O)C(C)(C)C)C(=O)CO3)CC1 ZINC001276758160 1224120170 /nfs/dbraw/zinc/12/01/70/1224120170.db2.gz VEJPGWFTHXMDII-IBGZPJMESA-N 2 2 367.490 0.931 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758337 1224120573 /nfs/dbraw/zinc/12/05/73/1224120573.db2.gz XHFFFIRLLHBSSS-IBGZPJMESA-N 2 2 365.474 0.873 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758337 1224120575 /nfs/dbraw/zinc/12/05/75/1224120575.db2.gz XHFFFIRLLHBSSS-IBGZPJMESA-N 2 2 365.474 0.873 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986466981 1190997766 /nfs/dbraw/zinc/99/77/66/1190997766.db2.gz SPLCZPQGSSWLQJ-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000986466981 1190997770 /nfs/dbraw/zinc/99/77/70/1190997770.db2.gz SPLCZPQGSSWLQJ-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000986466980 1190997900 /nfs/dbraw/zinc/99/79/00/1190997900.db2.gz SPLCZPQGSSWLQJ-HLLBOEOZSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000986466980 1190997902 /nfs/dbraw/zinc/99/79/02/1190997902.db2.gz SPLCZPQGSSWLQJ-HLLBOEOZSA-N 2 2 359.474 0.662 20 0 FCADLP CN(C)c1ccc(-c2nnc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)o2)cc1 ZINC001217692838 1224122108 /nfs/dbraw/zinc/12/21/08/1224122108.db2.gz CQIUPYCTERZZPB-AWEZNQCLSA-N 2 2 355.402 0.712 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986571061 1191041056 /nfs/dbraw/zinc/04/10/56/1191041056.db2.gz HBJHKMVTRGKVKD-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)C1 ZINC000986571061 1191041058 /nfs/dbraw/zinc/04/10/58/1191041058.db2.gz HBJHKMVTRGKVKD-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986578038 1191045762 /nfs/dbraw/zinc/04/57/62/1191045762.db2.gz WNBXBHGMLZNTRP-CABCVRRESA-N 2 2 357.458 0.355 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+](CC(=O)NC3CC3)CC2)C1=O ZINC001276761308 1224126850 /nfs/dbraw/zinc/12/68/50/1224126850.db2.gz DFCCHXVYNUBSMX-IBGZPJMESA-N 2 2 359.474 0.903 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+](CC(=O)NC3CC3)CC2)C1=O ZINC001276761308 1224126851 /nfs/dbraw/zinc/12/68/51/1224126851.db2.gz DFCCHXVYNUBSMX-IBGZPJMESA-N 2 2 359.474 0.903 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000988108629 1191150439 /nfs/dbraw/zinc/15/04/39/1191150439.db2.gz KUFYNOZUNAKCLO-INMHGKMJSA-N 2 2 359.474 0.647 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CCN(CC4CCCC4)C3=O)C2)CC1 ZINC001276765425 1224132858 /nfs/dbraw/zinc/13/28/58/1224132858.db2.gz VKDAROFBPHCBLD-FQEVSTJZSA-N 2 2 362.518 0.875 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571933 1191207875 /nfs/dbraw/zinc/20/78/75/1191207875.db2.gz RYAPPRBPJVVGRH-COXVUDFISA-N 2 2 359.474 0.906 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C)n1 ZINC001088571933 1191207879 /nfs/dbraw/zinc/20/78/79/1191207879.db2.gz RYAPPRBPJVVGRH-COXVUDFISA-N 2 2 359.474 0.906 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465497 1193765277 /nfs/dbraw/zinc/76/52/77/1193765277.db2.gz HBHLHIMNCBIMJM-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465497 1193765281 /nfs/dbraw/zinc/76/52/81/1193765281.db2.gz HBHLHIMNCBIMJM-ZACQAIPSSA-N 2 2 360.458 0.093 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000990003114 1193779519 /nfs/dbraw/zinc/77/95/19/1193779519.db2.gz YUEJBEJUGXGFDM-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000990003114 1193779520 /nfs/dbraw/zinc/77/95/20/1193779520.db2.gz YUEJBEJUGXGFDM-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000990003114 1193779523 /nfs/dbraw/zinc/77/95/23/1193779523.db2.gz YUEJBEJUGXGFDM-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000990003114 1193779525 /nfs/dbraw/zinc/77/95/25/1193779525.db2.gz YUEJBEJUGXGFDM-OWCLPIDISA-N 2 2 366.506 0.155 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000990114974 1193797809 /nfs/dbraw/zinc/79/78/09/1193797809.db2.gz IEPSPEURVNFHPO-MIGQKNRLSA-N 2 2 370.457 0.834 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000550825916 1193801484 /nfs/dbraw/zinc/80/14/84/1193801484.db2.gz INOUCODJEBTZPN-UHFFFAOYSA-N 2 2 373.501 0.135 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000550825916 1193801487 /nfs/dbraw/zinc/80/14/87/1193801487.db2.gz INOUCODJEBTZPN-UHFFFAOYSA-N 2 2 373.501 0.135 20 0 FCADLP CCOC(=O)c1ncn(Cc2ccccc2)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218549564 1224171361 /nfs/dbraw/zinc/17/13/61/1224171361.db2.gz IGQZMDBGAOGQAG-KBPBESRZSA-N 2 2 357.414 0.593 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622870 1193841261 /nfs/dbraw/zinc/84/12/61/1193841261.db2.gz JLAGWYMGAVOTDY-LTDCPUDJSA-N 2 2 364.490 0.955 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105622873 1193841371 /nfs/dbraw/zinc/84/13/71/1193841371.db2.gz JLAGWYMGAVOTDY-VVWQDTPRSA-N 2 2 364.490 0.955 20 0 FCADLP CCOCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105654838 1193859440 /nfs/dbraw/zinc/85/94/40/1193859440.db2.gz BUWUFVDWDLZMGD-RWQQGDIJSA-N 2 2 364.490 0.955 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOC1CCCC1 ZINC000551845242 1193873822 /nfs/dbraw/zinc/87/38/22/1193873822.db2.gz QPDCHIXJRKTMIT-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCOC1CCCC1 ZINC000551845242 1193873824 /nfs/dbraw/zinc/87/38/24/1193873824.db2.gz QPDCHIXJRKTMIT-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)CC1 ZINC001218575730 1224174999 /nfs/dbraw/zinc/17/49/99/1224174999.db2.gz OGBBZNIJZDVHAO-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)CC1 ZINC001218575730 1224175003 /nfs/dbraw/zinc/17/50/03/1224175003.db2.gz OGBBZNIJZDVHAO-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)ncn2)CC1 ZINC001218573553 1224175117 /nfs/dbraw/zinc/17/51/17/1224175117.db2.gz YFDVUXLGGHYPDT-INIZCTEOSA-N 2 2 352.442 0.881 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000552052609 1193899980 /nfs/dbraw/zinc/89/99/80/1193899980.db2.gz HGGHJXHUFCUBFL-NUJGCVRESA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000552052607 1193900103 /nfs/dbraw/zinc/90/01/03/1193900103.db2.gz HGGHJXHUFCUBFL-BQFCYCMXSA-N 2 2 368.522 0.401 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)CC2)N1 ZINC000552124644 1193907003 /nfs/dbraw/zinc/90/70/03/1193907003.db2.gz DMDQOVSYOOOEBD-OHTSDLOESA-N 2 2 372.469 0.516 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)CC2)N1 ZINC000552124644 1193907009 /nfs/dbraw/zinc/90/70/09/1193907009.db2.gz DMDQOVSYOOOEBD-OHTSDLOESA-N 2 2 372.469 0.516 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@@H]2O)CC[N@@H+]1C ZINC001083474405 1193907243 /nfs/dbraw/zinc/90/72/43/1193907243.db2.gz FJFFQRSMEDYPHO-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@@H]2O)CC[N@H+]1C ZINC001083474405 1193907249 /nfs/dbraw/zinc/90/72/49/1193907249.db2.gz FJFFQRSMEDYPHO-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@@H]2O)CC[NH+]1C ZINC001083474405 1193907255 /nfs/dbraw/zinc/90/72/55/1193907255.db2.gz FJFFQRSMEDYPHO-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@@H]2O)CC[NH+]1C ZINC001083474405 1193907271 /nfs/dbraw/zinc/90/72/71/1193907271.db2.gz FJFFQRSMEDYPHO-HZMVEIRTSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474599 1193908455 /nfs/dbraw/zinc/90/84/55/1193908455.db2.gz QLQYTHFCRRUXRJ-MLHJIOFPSA-N 2 2 374.485 0.177 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474599 1193908456 /nfs/dbraw/zinc/90/84/56/1193908456.db2.gz QLQYTHFCRRUXRJ-MLHJIOFPSA-N 2 2 374.485 0.177 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474599 1193908457 /nfs/dbraw/zinc/90/84/57/1193908457.db2.gz QLQYTHFCRRUXRJ-MLHJIOFPSA-N 2 2 374.485 0.177 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474599 1193908458 /nfs/dbraw/zinc/90/84/58/1193908458.db2.gz QLQYTHFCRRUXRJ-MLHJIOFPSA-N 2 2 374.485 0.177 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1 ZINC001218582627 1224177816 /nfs/dbraw/zinc/17/78/16/1224177816.db2.gz RHRJJMXYLCBZAG-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1 ZINC001218582627 1224177820 /nfs/dbraw/zinc/17/78/20/1224177820.db2.gz RHRJJMXYLCBZAG-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP COCCn1nnc2c1CC[N@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000552315156 1193923159 /nfs/dbraw/zinc/92/31/59/1193923159.db2.gz IEXDCJIDFKLGNU-UHFFFAOYSA-N 2 2 372.477 0.025 20 0 FCADLP COCCn1nnc2c1CC[N@@H+](Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000552315156 1193923164 /nfs/dbraw/zinc/92/31/64/1193923164.db2.gz IEXDCJIDFKLGNU-UHFFFAOYSA-N 2 2 372.477 0.025 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000552470624 1193933049 /nfs/dbraw/zinc/93/30/49/1193933049.db2.gz AVVMJLYDGLPWMQ-HYVNUMGLSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000552470624 1193933052 /nfs/dbraw/zinc/93/30/52/1193933052.db2.gz AVVMJLYDGLPWMQ-HYVNUMGLSA-N 2 2 364.490 0.099 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@@H]1C(C)C ZINC001105668323 1193949370 /nfs/dbraw/zinc/94/93/70/1193949370.db2.gz JJCBMAVVZDKRHM-ZAWLATJESA-N 2 2 364.490 0.609 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748838 1193949941 /nfs/dbraw/zinc/94/99/41/1193949941.db2.gz KKSAYLSRXKMXMH-SJORKVTESA-N 2 2 366.506 0.347 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000552748838 1193949943 /nfs/dbraw/zinc/94/99/43/1193949943.db2.gz KKSAYLSRXKMXMH-SJORKVTESA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645564 1224189476 /nfs/dbraw/zinc/18/94/76/1224189476.db2.gz JDGCCDNYGOTEFN-NZSAHSFTSA-N 2 2 361.486 0.453 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645564 1224189477 /nfs/dbraw/zinc/18/94/77/1224189477.db2.gz JDGCCDNYGOTEFN-NZSAHSFTSA-N 2 2 361.486 0.453 20 0 FCADLP C[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645564 1224189481 /nfs/dbraw/zinc/18/94/81/1224189481.db2.gz JDGCCDNYGOTEFN-NZSAHSFTSA-N 2 2 361.486 0.453 20 0 FCADLP C[C@@H](O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@H]2C1 ZINC001218645564 1224189489 /nfs/dbraw/zinc/18/94/89/1224189489.db2.gz JDGCCDNYGOTEFN-NZSAHSFTSA-N 2 2 361.486 0.453 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cn1 ZINC000842161847 1194071882 /nfs/dbraw/zinc/07/18/82/1194071882.db2.gz FZESAEGEEKJLMW-BETUJISGSA-N 2 2 356.430 0.401 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCCn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105674421 1194088183 /nfs/dbraw/zinc/08/81/83/1194088183.db2.gz WWQVWIFVSMRKAK-RWQQGDIJSA-N 2 2 364.490 0.622 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000842228915 1194108532 /nfs/dbraw/zinc/10/85/32/1194108532.db2.gz CIJSCPOYOSFOFW-INIZCTEOSA-N 2 2 355.442 0.933 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083524138 1194155408 /nfs/dbraw/zinc/15/54/08/1194155408.db2.gz JJTATUOMIAZYDF-KURKYZTESA-N 2 2 370.453 0.614 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083524138 1194155414 /nfs/dbraw/zinc/15/54/14/1194155414.db2.gz JJTATUOMIAZYDF-KURKYZTESA-N 2 2 370.453 0.614 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001218695753 1224198158 /nfs/dbraw/zinc/19/81/58/1224198158.db2.gz HJPJJYCQMRYLMN-IUODEOHRSA-N 2 2 361.446 0.290 20 0 FCADLP CC[NH+]1CCN(C(=O)c2cnc(C(=O)N3CC[NH+](CC)CC3)cn2)CC1 ZINC000899907582 1194221528 /nfs/dbraw/zinc/22/15/28/1194221528.db2.gz IIWBAYOMMUXVNM-UHFFFAOYSA-N 2 2 360.462 0.032 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001076046756 1194273571 /nfs/dbraw/zinc/27/35/71/1194273571.db2.gz KRJSOFRPGFCPBA-DOTOQJQBSA-N 2 2 359.474 0.783 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001076046756 1194273580 /nfs/dbraw/zinc/27/35/80/1194273580.db2.gz KRJSOFRPGFCPBA-DOTOQJQBSA-N 2 2 359.474 0.783 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070461 1194292028 /nfs/dbraw/zinc/29/20/28/1194292028.db2.gz KJMCVAOZANJUJX-SJFYGUSASA-N 2 2 371.485 0.316 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070461 1194292030 /nfs/dbraw/zinc/29/20/30/1194292030.db2.gz KJMCVAOZANJUJX-SJFYGUSASA-N 2 2 371.485 0.316 20 0 FCADLP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070461 1194292036 /nfs/dbraw/zinc/29/20/36/1194292036.db2.gz KJMCVAOZANJUJX-SJFYGUSASA-N 2 2 371.485 0.316 20 0 FCADLP Cn1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+]5CC6CC5(C6)CO4)[C@@H]3C2)n1 ZINC001076070461 1194292040 /nfs/dbraw/zinc/29/20/40/1194292040.db2.gz KJMCVAOZANJUJX-SJFYGUSASA-N 2 2 371.485 0.316 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795242 1224218316 /nfs/dbraw/zinc/21/83/16/1224218316.db2.gz XXLDZIADRCEJIS-ZJIFWQFVSA-N 2 2 369.506 0.752 20 0 FCADLP CCOC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795242 1224218330 /nfs/dbraw/zinc/21/83/30/1224218330.db2.gz XXLDZIADRCEJIS-ZJIFWQFVSA-N 2 2 369.506 0.752 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001076462350 1194507497 /nfs/dbraw/zinc/50/74/97/1194507497.db2.gz QXQKLXLNZWGVCM-FUHWJXTLSA-N 2 2 367.453 0.794 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC001076462350 1194507501 /nfs/dbraw/zinc/50/75/01/1194507501.db2.gz QXQKLXLNZWGVCM-FUHWJXTLSA-N 2 2 367.453 0.794 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076515498 1194530851 /nfs/dbraw/zinc/53/08/51/1194530851.db2.gz BTMHGFZTQXLYHT-BHYGNILZSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001076515498 1194530856 /nfs/dbraw/zinc/53/08/56/1194530856.db2.gz BTMHGFZTQXLYHT-BHYGNILZSA-N 2 2 369.473 0.664 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576459 1194583549 /nfs/dbraw/zinc/58/35/49/1194583549.db2.gz MDBAWCUQPBPPLN-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576459 1194583553 /nfs/dbraw/zinc/58/35/53/1194583553.db2.gz MDBAWCUQPBPPLN-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589481 1194585005 /nfs/dbraw/zinc/58/50/05/1194585005.db2.gz YOUDINZYIQRAJR-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589481 1194585012 /nfs/dbraw/zinc/58/50/12/1194585012.db2.gz YOUDINZYIQRAJR-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589481 1194585020 /nfs/dbraw/zinc/58/50/20/1194585020.db2.gz YOUDINZYIQRAJR-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589481 1194585028 /nfs/dbraw/zinc/58/50/28/1194585028.db2.gz YOUDINZYIQRAJR-CGTJXYLNSA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589482 1194585404 /nfs/dbraw/zinc/58/54/04/1194585404.db2.gz YOUDINZYIQRAJR-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589482 1194585409 /nfs/dbraw/zinc/58/54/09/1194585409.db2.gz YOUDINZYIQRAJR-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589482 1194585415 /nfs/dbraw/zinc/58/54/15/1194585415.db2.gz YOUDINZYIQRAJR-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(C)cn4)C[C@H]32)C1 ZINC001076589482 1194585422 /nfs/dbraw/zinc/58/54/22/1194585422.db2.gz YOUDINZYIQRAJR-JQHSSLGASA-N 2 2 359.474 0.538 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633604 1194606694 /nfs/dbraw/zinc/60/66/94/1194606694.db2.gz WMPANQLBIKEROO-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633604 1194606702 /nfs/dbraw/zinc/60/67/02/1194606702.db2.gz WMPANQLBIKEROO-IXDOHACOSA-N 2 2 359.474 0.817 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001218839187 1224236494 /nfs/dbraw/zinc/23/64/94/1224236494.db2.gz YDSBOYUEGLPMMG-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001218839187 1224236503 /nfs/dbraw/zinc/23/65/03/1224236503.db2.gz YDSBOYUEGLPMMG-ZWKOTPCHSA-N 2 2 371.441 0.829 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805274 1195025372 /nfs/dbraw/zinc/02/53/72/1195025372.db2.gz AFZTVKKMSROGLJ-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805274 1195025378 /nfs/dbraw/zinc/02/53/78/1195025378.db2.gz AFZTVKKMSROGLJ-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805274 1195025382 /nfs/dbraw/zinc/02/53/82/1195025382.db2.gz AFZTVKKMSROGLJ-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001076805274 1195025387 /nfs/dbraw/zinc/02/53/87/1195025387.db2.gz AFZTVKKMSROGLJ-CEXWTWQISA-N 2 2 369.469 0.628 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001076812657 1195034732 /nfs/dbraw/zinc/03/47/32/1195034732.db2.gz OXLDQJNEIPNCFG-GUDVDZBRSA-N 2 2 359.470 0.515 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001076836819 1195043513 /nfs/dbraw/zinc/04/35/13/1195043513.db2.gz AKDGULLPEALYGP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001076836819 1195043518 /nfs/dbraw/zinc/04/35/18/1195043518.db2.gz AKDGULLPEALYGP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001076836819 1195043523 /nfs/dbraw/zinc/04/35/23/1195043523.db2.gz AKDGULLPEALYGP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001076836819 1195043525 /nfs/dbraw/zinc/04/35/25/1195043525.db2.gz AKDGULLPEALYGP-GUDVDZBRSA-N 2 2 361.486 0.420 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077130915 1195246701 /nfs/dbraw/zinc/24/67/01/1195246701.db2.gz JJTATUOMIAZYDF-FGTMMUONSA-N 2 2 370.453 0.614 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077130915 1195246708 /nfs/dbraw/zinc/24/67/08/1195246708.db2.gz JJTATUOMIAZYDF-FGTMMUONSA-N 2 2 370.453 0.614 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077132384 1195249485 /nfs/dbraw/zinc/24/94/85/1195249485.db2.gz WOFONAPRQNFATK-FGTMMUONSA-N 2 2 361.490 0.488 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077132384 1195249489 /nfs/dbraw/zinc/24/94/89/1195249489.db2.gz WOFONAPRQNFATK-FGTMMUONSA-N 2 2 361.490 0.488 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001083566587 1195299014 /nfs/dbraw/zinc/29/90/14/1195299014.db2.gz RSUIWWSSUXIIRF-UDDJNGQFSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001083566587 1195299019 /nfs/dbraw/zinc/29/90/19/1195299019.db2.gz RSUIWWSSUXIIRF-UDDJNGQFSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001083566587 1195299027 /nfs/dbraw/zinc/29/90/27/1195299027.db2.gz RSUIWWSSUXIIRF-UDDJNGQFSA-N 2 2 359.470 0.580 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2O)O1 ZINC001083566587 1195299033 /nfs/dbraw/zinc/29/90/33/1195299033.db2.gz RSUIWWSSUXIIRF-UDDJNGQFSA-N 2 2 359.470 0.580 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)ccn1 ZINC001077237919 1195339518 /nfs/dbraw/zinc/33/95/18/1195339518.db2.gz VDOMSSRYQMKVDG-BRWVUGGUSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)ccn1 ZINC001077237919 1195339526 /nfs/dbraw/zinc/33/95/26/1195339526.db2.gz VDOMSSRYQMKVDG-BRWVUGGUSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001077237919 1195339531 /nfs/dbraw/zinc/33/95/31/1195339531.db2.gz VDOMSSRYQMKVDG-BRWVUGGUSA-N 2 2 361.490 0.293 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570612 1195374935 /nfs/dbraw/zinc/37/49/35/1195374935.db2.gz GIAUPFUSACHZDA-JLZZUVOBSA-N 2 2 371.441 0.254 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570612 1195374941 /nfs/dbraw/zinc/37/49/41/1195374941.db2.gz GIAUPFUSACHZDA-JLZZUVOBSA-N 2 2 371.441 0.254 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276316 1195377522 /nfs/dbraw/zinc/37/75/22/1195377522.db2.gz XHWWXBDPZIEWTJ-IAGOWNOFSA-N 2 2 371.441 0.040 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077276316 1195377526 /nfs/dbraw/zinc/37/75/26/1195377526.db2.gz XHWWXBDPZIEWTJ-IAGOWNOFSA-N 2 2 371.441 0.040 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077312330 1195415582 /nfs/dbraw/zinc/41/55/82/1195415582.db2.gz YRVYIGFPUFZWFG-IAGOWNOFSA-N 2 2 354.414 0.351 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077312330 1195415590 /nfs/dbraw/zinc/41/55/90/1195415590.db2.gz YRVYIGFPUFZWFG-IAGOWNOFSA-N 2 2 354.414 0.351 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573723 1195448620 /nfs/dbraw/zinc/44/86/20/1195448620.db2.gz SIEBZWCQEOTQFP-IKGGRYGDSA-N 2 2 359.430 0.368 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573723 1195448624 /nfs/dbraw/zinc/44/86/24/1195448624.db2.gz SIEBZWCQEOTQFP-IKGGRYGDSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573723 1195448626 /nfs/dbraw/zinc/44/86/26/1195448626.db2.gz SIEBZWCQEOTQFP-IKGGRYGDSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573723 1195448630 /nfs/dbraw/zinc/44/86/30/1195448630.db2.gz SIEBZWCQEOTQFP-IKGGRYGDSA-N 2 2 359.430 0.368 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CCO1 ZINC001691634487 1195483637 /nfs/dbraw/zinc/48/36/37/1195483637.db2.gz UOSCHCGZPJZWSM-QLFBSQMISA-N 2 2 363.462 0.074 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1 ZINC001077394999 1195491604 /nfs/dbraw/zinc/49/16/04/1195491604.db2.gz OCDSLCIHEKTQJA-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)cc1 ZINC001077394999 1195491612 /nfs/dbraw/zinc/49/16/12/1195491612.db2.gz OCDSLCIHEKTQJA-QZTJIDSGSA-N 2 2 358.442 0.699 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396090 1195495290 /nfs/dbraw/zinc/49/52/90/1195495290.db2.gz NPCSYPJVYVCEEC-RBSFLKMASA-N 2 2 366.368 0.533 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001077396090 1195495299 /nfs/dbraw/zinc/49/52/99/1195495299.db2.gz NPCSYPJVYVCEEC-RBSFLKMASA-N 2 2 366.368 0.533 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077399286 1195498104 /nfs/dbraw/zinc/49/81/04/1195498104.db2.gz ATOMXBRLCIABMT-GDBMZVCRSA-N 2 2 368.428 0.969 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077399286 1195498109 /nfs/dbraw/zinc/49/81/09/1195498109.db2.gz ATOMXBRLCIABMT-GDBMZVCRSA-N 2 2 368.428 0.969 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)n1 ZINC001083607299 1195684362 /nfs/dbraw/zinc/68/43/62/1195684362.db2.gz QEBCHBLECNFTDL-CVEARBPZSA-N 2 2 370.413 0.433 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)n1 ZINC001083607299 1195684366 /nfs/dbraw/zinc/68/43/66/1195684366.db2.gz QEBCHBLECNFTDL-CVEARBPZSA-N 2 2 370.413 0.433 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607446 1195686350 /nfs/dbraw/zinc/68/63/50/1195686350.db2.gz YRVYIGFPUFZWFG-SJORKVTESA-N 2 2 354.414 0.351 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607446 1195686351 /nfs/dbraw/zinc/68/63/51/1195686351.db2.gz YRVYIGFPUFZWFG-SJORKVTESA-N 2 2 354.414 0.351 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603945 1195703629 /nfs/dbraw/zinc/70/36/29/1195703629.db2.gz LBEYKLMXJNQJNB-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603945 1195703632 /nfs/dbraw/zinc/70/36/32/1195703632.db2.gz LBEYKLMXJNQJNB-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603945 1195703635 /nfs/dbraw/zinc/70/36/35/1195703635.db2.gz LBEYKLMXJNQJNB-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907603945 1195703640 /nfs/dbraw/zinc/70/36/40/1195703640.db2.gz LBEYKLMXJNQJNB-HZPDHXFCSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910572054 1195821272 /nfs/dbraw/zinc/82/12/72/1195821272.db2.gz GHEHBLVRXZVINJ-MRXNPFEDSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000910572054 1195821274 /nfs/dbraw/zinc/82/12/74/1195821274.db2.gz GHEHBLVRXZVINJ-MRXNPFEDSA-N 2 2 369.506 0.831 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000910665608 1195830422 /nfs/dbraw/zinc/83/04/22/1195830422.db2.gz STPBANMBXHGHFE-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000910665608 1195830425 /nfs/dbraw/zinc/83/04/25/1195830425.db2.gz STPBANMBXHGHFE-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033909 1224308065 /nfs/dbraw/zinc/30/80/65/1224308065.db2.gz YTLWGFMNHJEXIW-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033909 1224308070 /nfs/dbraw/zinc/30/80/70/1224308070.db2.gz YTLWGFMNHJEXIW-IXDOHACOSA-N 2 2 366.506 0.249 20 0 FCADLP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000911033279 1195881918 /nfs/dbraw/zinc/88/19/18/1195881918.db2.gz YXYSTPXMJGREOG-ULQDDVLXSA-N 2 2 366.506 0.394 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)o1 ZINC001083644440 1195931081 /nfs/dbraw/zinc/93/10/81/1195931081.db2.gz HBZZUOXKKJTXHM-CVEARBPZSA-N 2 2 355.398 0.914 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@@H](O)C2)o1 ZINC001083644440 1195931086 /nfs/dbraw/zinc/93/10/86/1195931086.db2.gz HBZZUOXKKJTXHM-CVEARBPZSA-N 2 2 355.398 0.914 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219050851 1224319745 /nfs/dbraw/zinc/31/97/45/1224319745.db2.gz QZWVGBLUIVGXHO-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219050851 1224319752 /nfs/dbraw/zinc/31/97/52/1224319752.db2.gz QZWVGBLUIVGXHO-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001083668905 1196392626 /nfs/dbraw/zinc/39/26/26/1196392626.db2.gz LNABAWGADYNIDM-SOLBZPMBSA-N 2 2 362.474 0.827 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001083668905 1196392628 /nfs/dbraw/zinc/39/26/28/1196392628.db2.gz LNABAWGADYNIDM-SOLBZPMBSA-N 2 2 362.474 0.827 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000991617282 1196537172 /nfs/dbraw/zinc/53/71/72/1196537172.db2.gz WHMIRYDDXQAVSU-UKRRQHHQSA-N 2 2 363.462 0.053 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000991617282 1196537176 /nfs/dbraw/zinc/53/71/76/1196537176.db2.gz WHMIRYDDXQAVSU-UKRRQHHQSA-N 2 2 363.462 0.053 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088864938 1196809440 /nfs/dbraw/zinc/80/94/40/1196809440.db2.gz NRHSFALNYWCWAP-TUVASFSCSA-N 2 2 373.457 0.252 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCN1C(=O)CCC1=O ZINC001088864938 1196809441 /nfs/dbraw/zinc/80/94/41/1196809441.db2.gz NRHSFALNYWCWAP-TUVASFSCSA-N 2 2 373.457 0.252 20 0 FCADLP C[C@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)C1CC1 ZINC001106068742 1196823162 /nfs/dbraw/zinc/82/31/62/1196823162.db2.gz NVERAYGEQHDVMO-IJEWVQPXSA-N 2 2 361.490 0.941 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991892555 1196831902 /nfs/dbraw/zinc/83/19/02/1196831902.db2.gz FRSHSFNNCRPNNL-OAGGEKHMSA-N 2 2 357.458 0.192 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(=O)N1CCCC[C@@H]1C ZINC001088981048 1196856264 /nfs/dbraw/zinc/85/62/64/1196856264.db2.gz ABIHMTLHCGAOPX-UXLLHSPISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC001088981048 1196856265 /nfs/dbraw/zinc/85/62/65/1196856265.db2.gz ABIHMTLHCGAOPX-UXLLHSPISA-N 2 2 361.490 0.943 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053366 1196876713 /nfs/dbraw/zinc/87/67/13/1196876713.db2.gz UBDSBILASYVBPC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053366 1196876715 /nfs/dbraw/zinc/87/67/15/1196876715.db2.gz UBDSBILASYVBPC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053366 1196876718 /nfs/dbraw/zinc/87/67/18/1196876718.db2.gz UBDSBILASYVBPC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)c3)[C@@H]2C)C1 ZINC001089053366 1196876720 /nfs/dbraw/zinc/87/67/20/1196876720.db2.gz UBDSBILASYVBPC-HYVNUMGLSA-N 2 2 362.474 0.890 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC000992237841 1197029215 /nfs/dbraw/zinc/02/92/15/1197029215.db2.gz AZSJJWBXMYSLDB-FXRXJOCMSA-N 2 2 369.473 0.929 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC000992237841 1197029218 /nfs/dbraw/zinc/02/92/18/1197029218.db2.gz AZSJJWBXMYSLDB-FXRXJOCMSA-N 2 2 369.473 0.929 20 0 FCADLP O=C(NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000992240709 1197030285 /nfs/dbraw/zinc/03/02/85/1197030285.db2.gz NQFUZZNHQGOSHH-NEXFUWMNSA-N 2 2 357.458 0.620 20 0 FCADLP O=C(NC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000992240709 1197030289 /nfs/dbraw/zinc/03/02/89/1197030289.db2.gz NQFUZZNHQGOSHH-NEXFUWMNSA-N 2 2 357.458 0.620 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC[N@@H+]1C ZINC000992406710 1197091277 /nfs/dbraw/zinc/09/12/77/1197091277.db2.gz LEFAMZQHHPBUIA-XOKHGSTOSA-N 2 2 359.474 0.503 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC[N@H+]1C ZINC000992406710 1197091281 /nfs/dbraw/zinc/09/12/81/1197091281.db2.gz LEFAMZQHHPBUIA-XOKHGSTOSA-N 2 2 359.474 0.503 20 0 FCADLP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C2 ZINC000914083715 1197221981 /nfs/dbraw/zinc/22/19/81/1197221981.db2.gz XJAJBSNNTGSFOQ-VDCDIQELSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)C2 ZINC000914083715 1197221986 /nfs/dbraw/zinc/22/19/86/1197221986.db2.gz XJAJBSNNTGSFOQ-VDCDIQELSA-N 2 2 368.522 0.486 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000992691475 1197303051 /nfs/dbraw/zinc/30/30/51/1197303051.db2.gz WALPOKIUAASJRJ-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000992691475 1197303057 /nfs/dbraw/zinc/30/30/57/1197303057.db2.gz WALPOKIUAASJRJ-OGWOLHLISA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219288112 1224415067 /nfs/dbraw/zinc/41/50/67/1224415067.db2.gz IXFPSYGTUPHJGH-HNNXBMFYSA-N 3 2 360.437 0.995 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992942366 1197621462 /nfs/dbraw/zinc/62/14/62/1197621462.db2.gz NZUQHBWOFVJTNO-CLCXKQKWSA-N 2 2 359.474 0.221 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992942366 1197621465 /nfs/dbraw/zinc/62/14/65/1197621465.db2.gz NZUQHBWOFVJTNO-CLCXKQKWSA-N 2 2 359.474 0.221 20 0 FCADLP CC(C)[C@@H](C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1)[NH+](C)C ZINC000993029693 1197697820 /nfs/dbraw/zinc/69/78/20/1197697820.db2.gz ATRKDVNYQDIYTP-LJHODMEESA-N 2 2 361.490 0.845 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)CCC1 ZINC000993033760 1197701367 /nfs/dbraw/zinc/70/13/67/1197701367.db2.gz SSGJILWQFDVDOE-KDOFPFPSSA-N 2 2 359.474 0.743 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743746 /nfs/dbraw/zinc/74/37/46/1197743746.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743748 /nfs/dbraw/zinc/74/37/48/1197743748.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743761 /nfs/dbraw/zinc/74/37/61/1197743761.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275033 1197743774 /nfs/dbraw/zinc/74/37/74/1197743774.db2.gz OHAAEGOCVQFKOQ-CGTJXYLNSA-N 3 2 365.522 0.317 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248374 1197745449 /nfs/dbraw/zinc/74/54/49/1197745449.db2.gz HTXRNWOEYGGMQS-FVQBIDKESA-N 2 2 357.462 0.791 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085248375 1197746424 /nfs/dbraw/zinc/74/64/24/1197746424.db2.gz HTXRNWOEYGGMQS-NUEKZKHPSA-N 2 2 357.462 0.791 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)no1 ZINC001085253161 1197753238 /nfs/dbraw/zinc/75/32/38/1197753238.db2.gz ZUSPVNLZESIBFF-HUUCEWRRSA-N 2 2 363.462 0.599 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993080330 1197803161 /nfs/dbraw/zinc/80/31/61/1197803161.db2.gz IATWUHMXSHUZOR-MAUKXSAKSA-N 2 2 356.430 0.395 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@]3(C)C2)CC1 ZINC000993088387 1197812314 /nfs/dbraw/zinc/81/23/14/1197812314.db2.gz YDTCTBZPLSZBQP-BEFAXECRSA-N 2 2 359.474 0.601 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)n1 ZINC001085394280 1197863374 /nfs/dbraw/zinc/86/33/74/1197863374.db2.gz DAWQSEQJRBZFDM-HZPDHXFCSA-N 2 2 358.446 0.978 20 0 FCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH+]cn2C)C1=O ZINC001085393664 1197865408 /nfs/dbraw/zinc/86/54/08/1197865408.db2.gz GUWLTOCVUYPVHP-ZACQAIPSSA-N 2 2 361.490 0.989 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342991 1197871746 /nfs/dbraw/zinc/87/17/46/1197871746.db2.gz LQTUOYNBFQHWHQ-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343147 1197871902 /nfs/dbraw/zinc/87/19/02/1197871902.db2.gz RHKMFPOKGCOAOQ-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000993154872 1197894977 /nfs/dbraw/zinc/89/49/77/1197894977.db2.gz IRAKVVHWOXYMER-HNAYVOBHSA-N 2 2 371.485 0.365 20 0 FCADLP CCOC(=O)c1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c2c1OCCO2 ZINC001219373086 1224445431 /nfs/dbraw/zinc/44/54/31/1224445431.db2.gz MADZDVYOKXHDQF-UHFFFAOYSA-N 2 2 363.414 0.915 20 0 FCADLP CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c2c1OCCO2 ZINC001219372809 1224445683 /nfs/dbraw/zinc/44/56/83/1224445683.db2.gz HZQPDKILIDNQHD-FMTVUPSXSA-N 2 2 361.398 0.795 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1)[NH+](C)C ZINC000993166141 1197917414 /nfs/dbraw/zinc/91/74/14/1197917414.db2.gz QQXHTBQVUDNNIA-GJYPPUQNSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C[NH2+]CCCF ZINC001106461128 1197939913 /nfs/dbraw/zinc/93/99/13/1197939913.db2.gz MFCHJEOOODYZMC-TVFCKZIOSA-N 2 2 371.497 0.910 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1CCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822852 1198019321 /nfs/dbraw/zinc/01/93/21/1198019321.db2.gz SYKLZQAMUYCQHC-ARFHVFGLSA-N 2 2 359.474 0.679 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1CCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822852 1198019331 /nfs/dbraw/zinc/01/93/31/1198019331.db2.gz SYKLZQAMUYCQHC-ARFHVFGLSA-N 2 2 359.474 0.679 20 0 FCADLP NC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001273364862 1198025470 /nfs/dbraw/zinc/02/54/70/1198025470.db2.gz TVAJJAOTWKBKQO-HNNXBMFYSA-N 2 2 359.474 0.634 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273383149 1198075044 /nfs/dbraw/zinc/07/50/44/1198075044.db2.gz AAUOKPJISBPPCA-ZACQAIPSSA-N 2 2 359.474 0.958 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273383149 1198075050 /nfs/dbraw/zinc/07/50/50/1198075050.db2.gz AAUOKPJISBPPCA-ZACQAIPSSA-N 2 2 359.474 0.958 20 0 FCADLP Cn1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1=O ZINC001086111735 1198175164 /nfs/dbraw/zinc/17/51/64/1198175164.db2.gz ZSCNXYVJYZHXBD-QKPAOTATSA-N 2 2 355.442 0.897 20 0 FCADLP Cn1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1=O ZINC001086111735 1198175174 /nfs/dbraw/zinc/17/51/74/1198175174.db2.gz ZSCNXYVJYZHXBD-QKPAOTATSA-N 2 2 355.442 0.897 20 0 FCADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)c1nncn1C ZINC001086201310 1198250161 /nfs/dbraw/zinc/25/01/61/1198250161.db2.gz UALSMCPJPNQLQQ-UXXRCYHCSA-N 2 2 357.462 0.898 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219453117 1224474938 /nfs/dbraw/zinc/47/49/38/1224474938.db2.gz IBSWDYGESSQROG-SRCQZFHVSA-N 2 2 366.412 0.953 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001006302199 1198342513 /nfs/dbraw/zinc/34/25/13/1198342513.db2.gz CLAJGQDTXDWQOE-OIISXLGYSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001006302199 1198342524 /nfs/dbraw/zinc/34/25/24/1198342524.db2.gz CLAJGQDTXDWQOE-OIISXLGYSA-N 2 2 373.501 0.943 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400307 1198355870 /nfs/dbraw/zinc/35/58/70/1198355870.db2.gz BDHSUPHQCUKBKN-DNNBLBMLSA-N 2 2 364.494 0.310 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400307 1198355877 /nfs/dbraw/zinc/35/58/77/1198355877.db2.gz BDHSUPHQCUKBKN-DNNBLBMLSA-N 2 2 364.494 0.310 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001219543418 1224503740 /nfs/dbraw/zinc/50/37/40/1224503740.db2.gz JYLVHLJKJGEIRT-SJORKVTESA-N 2 2 356.426 0.734 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@@H]1O ZINC001219543418 1224503748 /nfs/dbraw/zinc/50/37/48/1224503748.db2.gz JYLVHLJKJGEIRT-SJORKVTESA-N 2 2 356.426 0.734 20 0 FCADLP CC[NH+]1CCC(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC1 ZINC001169251398 1199058658 /nfs/dbraw/zinc/05/86/58/1199058658.db2.gz WCBNAACKBINHRA-UHFFFAOYSA-N 2 2 374.533 0.650 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)CO1 ZINC001169390788 1199062925 /nfs/dbraw/zinc/06/29/25/1199062925.db2.gz WCGAYOGDNJTEJM-CVEARBPZSA-N 2 2 367.490 0.774 20 0 FCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC(=O)NC)CC2)CO1 ZINC001169390788 1199062931 /nfs/dbraw/zinc/06/29/31/1199062931.db2.gz WCGAYOGDNJTEJM-CVEARBPZSA-N 2 2 367.490 0.774 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663450 1224549525 /nfs/dbraw/zinc/54/95/25/1224549525.db2.gz ZKNILRDMSHFTOQ-SJORKVTESA-N 2 2 364.490 0.740 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001219663450 1224549533 /nfs/dbraw/zinc/54/95/33/1224549533.db2.gz ZKNILRDMSHFTOQ-SJORKVTESA-N 2 2 364.490 0.740 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725480 1224578232 /nfs/dbraw/zinc/57/82/32/1224578232.db2.gz FIIKVIJMNIPWBO-OTWHNJEPSA-N 4 2 371.529 0.294 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219725480 1224578239 /nfs/dbraw/zinc/57/82/39/1224578239.db2.gz FIIKVIJMNIPWBO-OTWHNJEPSA-N 4 2 371.529 0.294 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109386006 1200236864 /nfs/dbraw/zinc/23/68/64/1200236864.db2.gz HLMFRZZSOVUSLT-SIXLDLHFSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109386006 1200236871 /nfs/dbraw/zinc/23/68/71/1200236871.db2.gz HLMFRZZSOVUSLT-SIXLDLHFSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109386006 1200236876 /nfs/dbraw/zinc/23/68/76/1200236876.db2.gz HLMFRZZSOVUSLT-SIXLDLHFSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109386006 1200236881 /nfs/dbraw/zinc/23/68/81/1200236881.db2.gz HLMFRZZSOVUSLT-SIXLDLHFSA-N 2 2 359.474 0.980 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCc2ncnn21 ZINC001109549253 1200374965 /nfs/dbraw/zinc/37/49/65/1200374965.db2.gz RZWRIDZPVHJEFB-WCVJEAGWSA-N 2 2 369.473 0.853 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCc2ncnn21 ZINC001109549253 1200374973 /nfs/dbraw/zinc/37/49/73/1200374973.db2.gz RZWRIDZPVHJEFB-WCVJEAGWSA-N 2 2 369.473 0.853 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639099 1200429036 /nfs/dbraw/zinc/42/90/36/1200429036.db2.gz ONXVINWLLPVHJO-LTIDMASMSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639099 1200429042 /nfs/dbraw/zinc/42/90/42/1200429042.db2.gz ONXVINWLLPVHJO-LTIDMASMSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639099 1200429048 /nfs/dbraw/zinc/42/90/48/1200429048.db2.gz ONXVINWLLPVHJO-LTIDMASMSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639099 1200429051 /nfs/dbraw/zinc/42/90/51/1200429051.db2.gz ONXVINWLLPVHJO-LTIDMASMSA-N 2 2 366.506 0.342 20 0 FCADLP CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672800 1200459542 /nfs/dbraw/zinc/45/95/42/1200459542.db2.gz UMQUPDHVANDDNL-IKGGRYGDSA-N 2 2 368.522 0.591 20 0 FCADLP CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672800 1200459547 /nfs/dbraw/zinc/45/95/47/1200459547.db2.gz UMQUPDHVANDDNL-IKGGRYGDSA-N 2 2 368.522 0.591 20 0 FCADLP Cn1cc(N2CC[C@H]([N@@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001109674442 1200461014 /nfs/dbraw/zinc/46/10/14/1200461014.db2.gz JGUHMONIPYKZHW-IWCQGFGOSA-N 2 2 374.489 0.199 20 0 FCADLP Cn1cc(N2CC[C@H]([N@H+]3[C@@H]4CC[C@H]3[C@@H](NC(=O)CC[NH+](C)C)C4)C2=O)cn1 ZINC001109674442 1200461017 /nfs/dbraw/zinc/46/10/17/1200461017.db2.gz JGUHMONIPYKZHW-IWCQGFGOSA-N 2 2 374.489 0.199 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C)C1=O ZINC001109846440 1200558544 /nfs/dbraw/zinc/55/85/44/1200558544.db2.gz KFCFVGVKYKPIHM-QZWWFDLISA-N 2 2 359.474 0.924 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C)C1=O ZINC001109846440 1200558549 /nfs/dbraw/zinc/55/85/49/1200558549.db2.gz KFCFVGVKYKPIHM-QZWWFDLISA-N 2 2 359.474 0.924 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O)C(C)C ZINC001109859428 1200571185 /nfs/dbraw/zinc/57/11/85/1200571185.db2.gz UQTOOUKXKVJSMM-HOSILWTGSA-N 2 2 367.494 0.269 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O)C(C)C ZINC001109859428 1200571192 /nfs/dbraw/zinc/57/11/92/1200571192.db2.gz UQTOOUKXKVJSMM-HOSILWTGSA-N 2 2 367.494 0.269 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001109928244 1200614873 /nfs/dbraw/zinc/61/48/73/1200614873.db2.gz NLFGWYJNCGILBB-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC1CCOCC1 ZINC001109928244 1200614877 /nfs/dbraw/zinc/61/48/77/1200614877.db2.gz NLFGWYJNCGILBB-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001109928244 1200614880 /nfs/dbraw/zinc/61/48/80/1200614880.db2.gz NLFGWYJNCGILBB-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001109928244 1200614884 /nfs/dbraw/zinc/61/48/84/1200614884.db2.gz NLFGWYJNCGILBB-IKGGRYGDSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109980474 1200664057 /nfs/dbraw/zinc/66/40/57/1200664057.db2.gz OKPYJZOFBJWPEZ-ORQFMDKSSA-N 2 2 366.506 0.201 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C1CC1 ZINC001109980474 1200664058 /nfs/dbraw/zinc/66/40/58/1200664058.db2.gz OKPYJZOFBJWPEZ-ORQFMDKSSA-N 2 2 366.506 0.201 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110022233 1200707844 /nfs/dbraw/zinc/70/78/44/1200707844.db2.gz SRHNYWGPRUWQIP-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110022233 1200707848 /nfs/dbraw/zinc/70/78/48/1200707848.db2.gz SRHNYWGPRUWQIP-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110022233 1200707852 /nfs/dbraw/zinc/70/78/52/1200707852.db2.gz SRHNYWGPRUWQIP-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110022233 1200707858 /nfs/dbraw/zinc/70/78/58/1200707858.db2.gz SRHNYWGPRUWQIP-YVSFHVDLSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)NCc1noc2c1C[NH2+]CC2 ZINC001219809668 1224628112 /nfs/dbraw/zinc/62/81/12/1224628112.db2.gz PTGZEMOPJHOUIU-MRXNPFEDSA-N 2 2 369.469 0.801 20 0 FCADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)NCc1noc2c1C[NH2+]CC2 ZINC001219809668 1224628120 /nfs/dbraw/zinc/62/81/20/1224628120.db2.gz PTGZEMOPJHOUIU-MRXNPFEDSA-N 2 2 369.469 0.801 20 0 FCADLP CCc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc(C)[nH+]1 ZINC001090435341 1200732317 /nfs/dbraw/zinc/73/23/17/1200732317.db2.gz LAYWTASRHKGYMO-HZPDHXFCSA-N 2 2 361.490 0.889 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O ZINC001110053660 1200741305 /nfs/dbraw/zinc/74/13/05/1200741305.db2.gz QXYTZIRWDHABIQ-KBMXLJTQSA-N 2 2 360.462 0.099 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110053660 1200741314 /nfs/dbraw/zinc/74/13/14/1200741314.db2.gz QXYTZIRWDHABIQ-KBMXLJTQSA-N 2 2 360.462 0.099 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812150 1224629769 /nfs/dbraw/zinc/62/97/69/1224629769.db2.gz PDMHADYALRYOSQ-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812150 1224629774 /nfs/dbraw/zinc/62/97/74/1224629774.db2.gz PDMHADYALRYOSQ-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812150 1224629779 /nfs/dbraw/zinc/62/97/79/1224629779.db2.gz PDMHADYALRYOSQ-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812150 1224629781 /nfs/dbraw/zinc/62/97/81/1224629781.db2.gz PDMHADYALRYOSQ-OIISXLGYSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112552390 1200779972 /nfs/dbraw/zinc/77/99/72/1200779972.db2.gz VEXNVIKFMBFUDZ-KXBFYZLASA-N 2 2 361.490 0.943 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815994 1224631792 /nfs/dbraw/zinc/63/17/92/1224631792.db2.gz UKKURUXGFBLQKQ-KURKYZTESA-N 2 2 365.449 0.505 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815994 1224631795 /nfs/dbraw/zinc/63/17/95/1224631795.db2.gz UKKURUXGFBLQKQ-KURKYZTESA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815994 1224631798 /nfs/dbraw/zinc/63/17/98/1224631798.db2.gz UKKURUXGFBLQKQ-KURKYZTESA-N 2 2 365.449 0.505 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@@H]1O)C1CCC1 ZINC001219815994 1224631801 /nfs/dbraw/zinc/63/18/01/1224631801.db2.gz UKKURUXGFBLQKQ-KURKYZTESA-N 2 2 365.449 0.505 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112570313 1200803119 /nfs/dbraw/zinc/80/31/19/1200803119.db2.gz QFXXHAMPZYCRHY-KXBFYZLASA-N 2 2 359.474 0.711 20 0 FCADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112582590 1200820076 /nfs/dbraw/zinc/82/00/76/1200820076.db2.gz FQNYRBXBSZWODK-BJLQDIEVSA-N 2 2 365.518 0.698 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000786082732 1200821609 /nfs/dbraw/zinc/82/16/09/1200821609.db2.gz PBNAWBBRTDYAFG-CQSZACIVSA-N 2 2 359.474 0.869 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)C(=O)NC1CC1 ZINC001112590635 1200829986 /nfs/dbraw/zinc/82/99/86/1200829986.db2.gz INBLRYPNVRQHDF-VCBZYWHSSA-N 2 2 359.474 0.769 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cccnc3)C2)CC1 ZINC000786648580 1200845654 /nfs/dbraw/zinc/84/56/54/1200845654.db2.gz JZCXAKWLHKAMTR-MRXNPFEDSA-N 2 2 359.474 0.025 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cccnc3)C2)CC1 ZINC000786648580 1200845658 /nfs/dbraw/zinc/84/56/58/1200845658.db2.gz JZCXAKWLHKAMTR-MRXNPFEDSA-N 2 2 359.474 0.025 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccncc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786785134 1200852115 /nfs/dbraw/zinc/85/21/15/1200852115.db2.gz HCCRVOPZCMZAQF-GOSISDBHSA-N 2 2 373.501 0.367 20 0 FCADLP CN(C(=O)C(=O)NCCc1ccncc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786785134 1200852120 /nfs/dbraw/zinc/85/21/20/1200852120.db2.gz HCCRVOPZCMZAQF-GOSISDBHSA-N 2 2 373.501 0.367 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825538 1224639832 /nfs/dbraw/zinc/63/98/32/1224639832.db2.gz CUPRXMUTJMPGPT-BBWFWOEESA-N 2 2 366.506 0.035 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825538 1224639834 /nfs/dbraw/zinc/63/98/34/1224639834.db2.gz CUPRXMUTJMPGPT-BBWFWOEESA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825538 1224639837 /nfs/dbraw/zinc/63/98/37/1224639837.db2.gz CUPRXMUTJMPGPT-BBWFWOEESA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1O ZINC001219825538 1224639840 /nfs/dbraw/zinc/63/98/40/1224639840.db2.gz CUPRXMUTJMPGPT-BBWFWOEESA-N 2 2 366.506 0.035 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578968 1201023920 /nfs/dbraw/zinc/02/39/20/1201023920.db2.gz HFPCTIAGWRLYAW-IPMKNSEASA-N 2 2 370.497 0.943 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578968 1201023929 /nfs/dbraw/zinc/02/39/29/1201023929.db2.gz HFPCTIAGWRLYAW-IPMKNSEASA-N 2 2 370.497 0.943 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578968 1201023941 /nfs/dbraw/zinc/02/39/41/1201023941.db2.gz HFPCTIAGWRLYAW-IPMKNSEASA-N 2 2 370.497 0.943 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578968 1201023952 /nfs/dbraw/zinc/02/39/52/1201023952.db2.gz HFPCTIAGWRLYAW-IPMKNSEASA-N 2 2 370.497 0.943 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C[NH+]1CCCC1 ZINC000790187873 1201057997 /nfs/dbraw/zinc/05/79/97/1201057997.db2.gz ITSLPTQQPURIIP-CVEARBPZSA-N 2 2 361.490 0.974 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001090453820 1201146469 /nfs/dbraw/zinc/14/64/69/1201146469.db2.gz QIURPWQIIQKTOR-HUUCEWRRSA-N 2 2 365.478 0.152 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC001086605860 1201175859 /nfs/dbraw/zinc/17/58/59/1201175859.db2.gz YZZDSSPNRILOFA-LEUOFYLZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001086605860 1201175867 /nfs/dbraw/zinc/17/58/67/1201175867.db2.gz YZZDSSPNRILOFA-LEUOFYLZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086605860 1201175870 /nfs/dbraw/zinc/17/58/70/1201175870.db2.gz YZZDSSPNRILOFA-LEUOFYLZSA-N 2 2 358.486 0.786 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001086605860 1201175877 /nfs/dbraw/zinc/17/58/77/1201175877.db2.gz YZZDSSPNRILOFA-LEUOFYLZSA-N 2 2 358.486 0.786 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2c2ccccc2)CC1 ZINC001086613480 1201235957 /nfs/dbraw/zinc/23/59/57/1201235957.db2.gz WFTTZXAGOZCGOB-ZWKOTPCHSA-N 2 2 358.486 0.788 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2c2ccccc2)CC1 ZINC001086613480 1201235965 /nfs/dbraw/zinc/23/59/65/1201235965.db2.gz WFTTZXAGOZCGOB-ZWKOTPCHSA-N 2 2 358.486 0.788 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867301 1224661537 /nfs/dbraw/zinc/66/15/37/1224661537.db2.gz LQUCBPHHFJNMBD-PMPSAXMXSA-N 2 2 366.506 0.068 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867301 1224661545 /nfs/dbraw/zinc/66/15/45/1224661545.db2.gz LQUCBPHHFJNMBD-PMPSAXMXSA-N 2 2 366.506 0.068 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000793805394 1201267159 /nfs/dbraw/zinc/26/71/59/1201267159.db2.gz GQXJJLZNMMUNLJ-OAHLLOKOSA-N 2 2 368.441 0.545 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000793805394 1201267163 /nfs/dbraw/zinc/26/71/63/1201267163.db2.gz GQXJJLZNMMUNLJ-OAHLLOKOSA-N 2 2 368.441 0.545 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412269 1201300101 /nfs/dbraw/zinc/30/01/01/1201300101.db2.gz OQGUXRKTHDVWDE-IMJJTQAJSA-N 2 2 361.450 0.021 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129412269 1201300106 /nfs/dbraw/zinc/30/01/06/1201300106.db2.gz OQGUXRKTHDVWDE-IMJJTQAJSA-N 2 2 361.450 0.021 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623819 1201351741 /nfs/dbraw/zinc/35/17/41/1201351741.db2.gz YUCOJXHBBZXJNB-BPQIPLTHSA-N 2 2 358.486 0.801 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623819 1201351743 /nfs/dbraw/zinc/35/17/43/1201351743.db2.gz YUCOJXHBBZXJNB-BPQIPLTHSA-N 2 2 358.486 0.801 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129803449 1201398117 /nfs/dbraw/zinc/39/81/17/1201398117.db2.gz LXRDNKMPMZCMAE-NEPJUHHUSA-N 2 2 371.367 0.928 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219902897 1224676046 /nfs/dbraw/zinc/67/60/46/1224676046.db2.gz NSJJVCVDJSJSJM-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219902897 1224676049 /nfs/dbraw/zinc/67/60/49/1224676049.db2.gz NSJJVCVDJSJSJM-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219902897 1224676052 /nfs/dbraw/zinc/67/60/52/1224676052.db2.gz NSJJVCVDJSJSJM-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001219902897 1224676055 /nfs/dbraw/zinc/67/60/55/1224676055.db2.gz NSJJVCVDJSJSJM-XHSDSOJGSA-N 2 2 368.522 0.137 20 0 FCADLP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024547 1201479007 /nfs/dbraw/zinc/47/90/07/1201479007.db2.gz WFXFEGNNHVHGSG-CVEARBPZSA-N 2 2 361.450 0.401 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001130034601 1201481982 /nfs/dbraw/zinc/48/19/82/1201481982.db2.gz UEDFGXOGJAWEES-BMFZPTHFSA-N 2 2 361.450 0.258 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130034601 1201481984 /nfs/dbraw/zinc/48/19/84/1201481984.db2.gz UEDFGXOGJAWEES-BMFZPTHFSA-N 2 2 361.450 0.258 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)[C@@H](n2ccnn2)C1 ZINC001130047725 1201486696 /nfs/dbraw/zinc/48/66/96/1201486696.db2.gz PLFAVYQZMRYGRJ-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001130047921 1201487020 /nfs/dbraw/zinc/48/70/20/1201487020.db2.gz ZOTFNZLJAUUHMX-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2n2ccnn2)no1 ZINC001130137207 1201514429 /nfs/dbraw/zinc/51/44/29/1201514429.db2.gz NMWZGOWOQYTHDC-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2n2ccnn2)no1 ZINC001130137207 1201514433 /nfs/dbraw/zinc/51/44/33/1201514433.db2.gz NMWZGOWOQYTHDC-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001130192947 1201530490 /nfs/dbraw/zinc/53/04/90/1201530490.db2.gz BYPDMJZNZXTYGL-KKUMJFAQSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001130192947 1201530494 /nfs/dbraw/zinc/53/04/94/1201530494.db2.gz BYPDMJZNZXTYGL-KKUMJFAQSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001130192947 1201530500 /nfs/dbraw/zinc/53/05/00/1201530500.db2.gz BYPDMJZNZXTYGL-KKUMJFAQSA-N 2 2 364.494 0.633 20 0 FCADLP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001130192947 1201530505 /nfs/dbraw/zinc/53/05/05/1201530505.db2.gz BYPDMJZNZXTYGL-KKUMJFAQSA-N 2 2 364.494 0.633 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(-c3ccccc3)no2)O1 ZINC001130182586 1201534359 /nfs/dbraw/zinc/53/43/59/1201534359.db2.gz OJLCTVJNVMGQMQ-UKRRQHHQSA-N 2 2 359.430 0.662 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc(-c3ccccc3)no2)O1 ZINC001130182586 1201534364 /nfs/dbraw/zinc/53/43/64/1201534364.db2.gz OJLCTVJNVMGQMQ-UKRRQHHQSA-N 2 2 359.430 0.662 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922726 1224682652 /nfs/dbraw/zinc/68/26/52/1224682652.db2.gz DCFNWQNGVAWJOV-SJORKVTESA-N 2 2 363.506 0.734 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922726 1224682655 /nfs/dbraw/zinc/68/26/55/1224682655.db2.gz DCFNWQNGVAWJOV-SJORKVTESA-N 2 2 363.506 0.734 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922728 1224682959 /nfs/dbraw/zinc/68/29/59/1224682959.db2.gz DESTZJHHCVAGGQ-IMJJTQAJSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922728 1224682962 /nfs/dbraw/zinc/68/29/62/1224682962.db2.gz DESTZJHHCVAGGQ-IMJJTQAJSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922728 1224682965 /nfs/dbraw/zinc/68/29/65/1224682965.db2.gz DESTZJHHCVAGGQ-IMJJTQAJSA-N 2 2 368.522 0.277 20 0 FCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922728 1224682968 /nfs/dbraw/zinc/68/29/68/1224682968.db2.gz DESTZJHHCVAGGQ-IMJJTQAJSA-N 2 2 368.522 0.277 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965569 1224704747 /nfs/dbraw/zinc/70/47/47/1224704747.db2.gz SCKSMAHPAYYOAV-INWMFGNUSA-N 2 2 359.426 0.089 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C2(Cc3ccccc3F)CC[NH2+]CC2)C[NH2+]1 ZINC001219967940 1224705808 /nfs/dbraw/zinc/70/58/08/1224705808.db2.gz PUVDLSLFPCRJNB-ZBFHGGJFSA-N 2 2 363.433 0.758 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C[NH2+]1 ZINC001219967773 1224705994 /nfs/dbraw/zinc/70/59/94/1224705994.db2.gz JPCAXOJLIIWXTF-FGTMMUONSA-N 2 2 374.485 0.479 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CC2(c3ccccc3F)CC[NH2+]CC2)C[NH2+]1 ZINC001219967976 1224706075 /nfs/dbraw/zinc/70/60/75/1224706075.db2.gz QZKHJIWPCMICCK-CJNGLKHVSA-N 2 2 363.433 0.857 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130635282 1202740259 /nfs/dbraw/zinc/74/02/59/1202740259.db2.gz RWZWYETVBXADGK-DOTOQJQBSA-N 2 2 360.462 0.627 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712876 1202759552 /nfs/dbraw/zinc/75/95/52/1202759552.db2.gz PYWQESBQKLYHOM-JLJPHGGASA-N 2 2 360.462 0.315 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1)OC ZINC001130739314 1202771003 /nfs/dbraw/zinc/77/10/03/1202771003.db2.gz AAUZZTBOXAMKAS-YQQAZPJKSA-N 2 2 360.462 0.626 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739812 1202771789 /nfs/dbraw/zinc/77/17/89/1202771789.db2.gz PGGKHAVJDRQXIW-YQQAZPJKSA-N 2 2 360.462 0.362 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130792475 1202800134 /nfs/dbraw/zinc/80/01/34/1202800134.db2.gz GKJUEAMHQGFJSP-QWHCGFSZSA-N 2 2 365.413 0.405 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)c1ncccn1 ZINC001131068311 1202855942 /nfs/dbraw/zinc/85/59/42/1202855942.db2.gz YIHLZXQCGHYNIE-ARFHVFGLSA-N 2 2 371.489 0.807 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664712 1202886864 /nfs/dbraw/zinc/88/68/64/1202886864.db2.gz BCXXOCCZVDLHBO-XHSDSOJGSA-N 2 2 364.494 0.312 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664712 1202886867 /nfs/dbraw/zinc/88/68/67/1202886867.db2.gz BCXXOCCZVDLHBO-XHSDSOJGSA-N 2 2 364.494 0.312 20 0 FCADLP CCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665252 1202888035 /nfs/dbraw/zinc/88/80/35/1202888035.db2.gz YHTCZRSWXBCIAU-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP CCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665252 1202888037 /nfs/dbraw/zinc/88/80/37/1202888037.db2.gz YHTCZRSWXBCIAU-ZNMIVQPWSA-N 2 2 365.478 0.727 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001131573324 1202915698 /nfs/dbraw/zinc/91/56/98/1202915698.db2.gz XBUXLEKJAUTRIE-VMGRFDJRSA-N 2 2 363.462 0.072 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131585520 1202918497 /nfs/dbraw/zinc/91/84/97/1202918497.db2.gz YNQAEGWLQPWJHW-KDOFPFPSSA-N 2 2 363.462 0.026 20 0 FCADLP O=C(NCC[NH2+]Cc1ccc(F)cc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131611112 1202921102 /nfs/dbraw/zinc/92/11/02/1202921102.db2.gz XBBPRRPGMNKANP-MSOLQXFVSA-N 2 2 365.449 0.911 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)N1CCC(C)CC1 ZINC001134045485 1203011083 /nfs/dbraw/zinc/01/10/83/1203011083.db2.gz IGFPECBRLHDZGE-BZUAXINKSA-N 2 2 361.490 0.876 20 0 FCADLP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045758 1203011443 /nfs/dbraw/zinc/01/14/43/1203011443.db2.gz PHLBESKNJFMIEE-CHWSQXEVSA-N 2 2 359.434 0.208 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCCCC1 ZINC001134045941 1203011644 /nfs/dbraw/zinc/01/16/44/1203011644.db2.gz RUIQMTRNPQVJDR-HZPDHXFCSA-N 2 2 361.490 0.926 20 0 FCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]cn1 ZINC001170779778 1203032661 /nfs/dbraw/zinc/03/26/61/1203032661.db2.gz QXEGMXNKZZENOX-PBHICJAKSA-N 2 2 372.448 0.935 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1)N1CCC1 ZINC001086737791 1203064353 /nfs/dbraw/zinc/06/43/53/1203064353.db2.gz XDGBWSOFIOPQKK-HRCADAONSA-N 2 2 359.474 0.552 20 0 FCADLP Cn1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc4c[nH+]cn4c3)C2)[nH]c1=O ZINC001086759257 1203082308 /nfs/dbraw/zinc/08/23/08/1203082308.db2.gz WNWOPPDZNWLBIU-GXTWGEPZSA-N 2 2 369.429 0.444 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019946 1203132604 /nfs/dbraw/zinc/13/26/04/1203132604.db2.gz PKJVJVCKTVUPLO-HXUWFJFHSA-N 2 2 371.485 0.865 20 0 FCADLP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2)C1CC1 ZINC001110104160 1203213118 /nfs/dbraw/zinc/21/31/18/1203213118.db2.gz IMBPRUMDSWKAMY-IKGGRYGDSA-N 2 2 359.474 0.924 20 0 FCADLP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2)C1CC1 ZINC001110104160 1203213122 /nfs/dbraw/zinc/21/31/22/1203213122.db2.gz IMBPRUMDSWKAMY-IKGGRYGDSA-N 2 2 359.474 0.924 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119262 1224776351 /nfs/dbraw/zinc/77/63/51/1224776351.db2.gz IIFQDTQXWLFVNC-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119262 1224776354 /nfs/dbraw/zinc/77/63/54/1224776354.db2.gz IIFQDTQXWLFVNC-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CCn1nc(C)c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000824713773 1203302470 /nfs/dbraw/zinc/30/24/70/1203302470.db2.gz VVQQBLYHPQOXSH-INIZCTEOSA-N 2 2 363.510 0.916 20 0 FCADLP CCn1nc(C)c(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000824713773 1203302474 /nfs/dbraw/zinc/30/24/74/1203302474.db2.gz VVQQBLYHPQOXSH-INIZCTEOSA-N 2 2 363.510 0.916 20 0 FCADLP O=C([C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663818 1203319420 /nfs/dbraw/zinc/31/94/20/1203319420.db2.gz ICFBGXHJZSYRCS-VQTJNVASSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663818 1203319423 /nfs/dbraw/zinc/31/94/23/1203319423.db2.gz ICFBGXHJZSYRCS-VQTJNVASSA-N 2 2 373.497 0.945 20 0 FCADLP C[N@H+](C1CN(C(=O)[C@@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671507 1203323400 /nfs/dbraw/zinc/32/34/00/1203323400.db2.gz SJVMPROUMSZHGW-WDSOQIARSA-N 2 2 359.470 0.553 20 0 FCADLP C[N@@H+](C1CN(C(=O)[C@@H]2[C@@H](O)CC[NH+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671507 1203323404 /nfs/dbraw/zinc/32/34/04/1203323404.db2.gz SJVMPROUMSZHGW-WDSOQIARSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671507 1203323408 /nfs/dbraw/zinc/32/34/08/1203323408.db2.gz SJVMPROUMSZHGW-WDSOQIARSA-N 2 2 359.470 0.553 20 0 FCADLP C[NH+](C1CN(C(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C1)[C@H]1CCOC1 ZINC001143671507 1203323412 /nfs/dbraw/zinc/32/34/12/1203323412.db2.gz SJVMPROUMSZHGW-WDSOQIARSA-N 2 2 359.470 0.553 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229095 1224810248 /nfs/dbraw/zinc/81/02/48/1224810248.db2.gz MJMBSZGEWBJHNZ-ZNMIVQPWSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229095 1224810251 /nfs/dbraw/zinc/81/02/51/1224810251.db2.gz MJMBSZGEWBJHNZ-ZNMIVQPWSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229094 1224810619 /nfs/dbraw/zinc/81/06/19/1224810619.db2.gz MJMBSZGEWBJHNZ-KFWWJZLASA-N 2 2 368.522 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229094 1224810623 /nfs/dbraw/zinc/81/06/23/1224810623.db2.gz MJMBSZGEWBJHNZ-KFWWJZLASA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220296987 1224822913 /nfs/dbraw/zinc/82/29/13/1224822913.db2.gz FMOSQNFSHMAEFP-SOLBZPMBSA-N 2 2 370.538 0.379 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001220296987 1224822918 /nfs/dbraw/zinc/82/29/18/1224822918.db2.gz FMOSQNFSHMAEFP-SOLBZPMBSA-N 2 2 370.538 0.379 20 0 FCADLP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220296457 1224822989 /nfs/dbraw/zinc/82/29/89/1224822989.db2.gz PYMWKOIYKNTJGF-GKCIPKSASA-N 2 2 370.453 0.710 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845207063 1204481702 /nfs/dbraw/zinc/48/17/02/1204481702.db2.gz SMFQWMOBTUVJRD-GJZGRUSLSA-N 2 2 372.510 0.668 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC001091239626 1204630908 /nfs/dbraw/zinc/63/09/08/1204630908.db2.gz AEBKNGMJEDNCNC-BHUNQDJPSA-N 2 2 371.489 0.917 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220358019 1224841946 /nfs/dbraw/zinc/84/19/46/1224841946.db2.gz OGWKIQBPONOHOE-QZWWFDLISA-N 3 2 360.458 0.109 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835605 1204669564 /nfs/dbraw/zinc/66/95/64/1204669564.db2.gz MBMIZCWAWNSYPW-GJZGRUSLSA-N 2 2 363.462 0.899 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835605 1204669571 /nfs/dbraw/zinc/66/95/71/1204669571.db2.gz MBMIZCWAWNSYPW-GJZGRUSLSA-N 2 2 363.462 0.899 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000846878729 1204670523 /nfs/dbraw/zinc/67/05/23/1204670523.db2.gz RATLGFFZMSXEKG-AWEZNQCLSA-N 2 2 364.450 0.221 20 0 FCADLP COC(=O)C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(=O)OC(C)(C)C ZINC001220382210 1224849774 /nfs/dbraw/zinc/84/97/74/1224849774.db2.gz SOYJRUZFDGUYLN-KGLIPLIRSA-N 2 2 365.430 0.648 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635445 1204791659 /nfs/dbraw/zinc/79/16/59/1204791659.db2.gz QYOKYUPJKYVSHV-VCBZYWHSSA-N 2 2 359.474 0.743 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001091635445 1204791670 /nfs/dbraw/zinc/79/16/70/1204791670.db2.gz QYOKYUPJKYVSHV-VCBZYWHSSA-N 2 2 359.474 0.743 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)n1 ZINC001091737684 1204837667 /nfs/dbraw/zinc/83/76/67/1204837667.db2.gz HMABTPLLMSSEFN-AYBZRNKSSA-N 2 2 360.506 0.919 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@]3(C)C2)n1 ZINC001091737684 1204837669 /nfs/dbraw/zinc/83/76/69/1204837669.db2.gz HMABTPLLMSSEFN-AYBZRNKSSA-N 2 2 360.506 0.919 20 0 FCADLP CC[NH+]1CCN(c2ccc(C(=O)NCC[NH+]3CC4(COC4)C3)cc2)CC1 ZINC001149010337 1204845766 /nfs/dbraw/zinc/84/57/66/1204845766.db2.gz HKAIOQZFUISJBV-UHFFFAOYSA-N 2 2 358.486 0.891 20 0 FCADLP C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(C(=O)Cc1cc[nH+]c(N)c1)CC2 ZINC001273449977 1204849179 /nfs/dbraw/zinc/84/91/79/1204849179.db2.gz MPFQJKBNRVKMTD-HNNXBMFYSA-N 2 2 359.474 0.513 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2c2cnn(C)c2)on1 ZINC001086999521 1204888754 /nfs/dbraw/zinc/88/87/54/1204888754.db2.gz KDJWIZMCZDEWJD-DLBZAZTESA-N 2 2 369.429 0.767 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]CCn2cccn2)cn1 ZINC001087012076 1204898497 /nfs/dbraw/zinc/89/84/97/1204898497.db2.gz DFMPFWNNGIZSCG-DLBZAZTESA-N 2 2 368.445 0.098 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2nccs2)cn1 ZINC001087012361 1204898810 /nfs/dbraw/zinc/89/88/10/1204898810.db2.gz SYCICINPNKWKGC-LSDHHAIUSA-N 2 2 371.470 0.858 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087038579 1204917722 /nfs/dbraw/zinc/91/77/22/1204917722.db2.gz NMCWLZQTJMQAHS-BZUAXINKSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(C)o1 ZINC001087038579 1204917724 /nfs/dbraw/zinc/91/77/24/1204917724.db2.gz NMCWLZQTJMQAHS-BZUAXINKSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001087069023 1204955624 /nfs/dbraw/zinc/95/56/24/1204955624.db2.gz HAGFDLSHDBMSKW-BRWVUGGUSA-N 2 2 364.490 0.842 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001087070972 1204957738 /nfs/dbraw/zinc/95/77/38/1204957738.db2.gz SIMYUCCZLWUOCV-OWCLPIDISA-N 2 2 363.462 0.005 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087058883 1204966925 /nfs/dbraw/zinc/96/69/25/1204966925.db2.gz FYJRVLWMIARFNI-CZUORRHYSA-N 2 2 361.450 0.124 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087058883 1204966928 /nfs/dbraw/zinc/96/69/28/1204966928.db2.gz FYJRVLWMIARFNI-CZUORRHYSA-N 2 2 361.450 0.124 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccon1 ZINC001087099507 1204996331 /nfs/dbraw/zinc/99/63/31/1204996331.db2.gz ZZOWNRJAMJOLPG-RHSMWYFYSA-N 2 2 361.446 0.994 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)c1cnccn1 ZINC001087103460 1205000624 /nfs/dbraw/zinc/00/06/24/1205000624.db2.gz IBWJVFGNHUPTDF-BFYDXBDKSA-N 2 2 358.446 0.887 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001087103698 1205001296 /nfs/dbraw/zinc/00/12/96/1205001296.db2.gz VDGWNIQHKPKSOF-IAGOWNOFSA-N 2 2 360.462 0.578 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)o1 ZINC001087104014 1205001540 /nfs/dbraw/zinc/00/15/40/1205001540.db2.gz LKNDTPHDDGGALK-BPLDGKMQSA-N 2 2 362.434 0.789 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001087104153 1205002245 /nfs/dbraw/zinc/00/22/45/1205002245.db2.gz RRESOAAFKDIIHX-GDBMZVCRSA-N 2 2 361.450 0.148 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087096791 1205004392 /nfs/dbraw/zinc/00/43/92/1205004392.db2.gz DSBRTSSLRJKEFR-UKRRQHHQSA-N 2 2 362.434 0.307 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087096767 1205005079 /nfs/dbraw/zinc/00/50/79/1205005079.db2.gz CGUINILVIYJQLE-RHSMWYFYSA-N 2 2 361.446 0.912 20 0 FCADLP Cn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795410 1205015163 /nfs/dbraw/zinc/01/51/63/1205015163.db2.gz WTOBKVLKUYCSMM-CLCXKQKWSA-N 2 2 369.473 0.555 20 0 FCADLP Cn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795410 1205015168 /nfs/dbraw/zinc/01/51/68/1205015168.db2.gz WTOBKVLKUYCSMM-CLCXKQKWSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091798283 1205016892 /nfs/dbraw/zinc/01/68/92/1205016892.db2.gz ROLMVNSTWMEJJC-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091798283 1205016898 /nfs/dbraw/zinc/01/68/98/1205016898.db2.gz ROLMVNSTWMEJJC-YRNRMSPPSA-N 2 2 371.485 0.458 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780366 1205026005 /nfs/dbraw/zinc/02/60/05/1205026005.db2.gz HRLGDKFBWJIILB-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780366 1205026010 /nfs/dbraw/zinc/02/60/10/1205026010.db2.gz HRLGDKFBWJIILB-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780366 1205026016 /nfs/dbraw/zinc/02/60/16/1205026016.db2.gz HRLGDKFBWJIILB-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780366 1205026020 /nfs/dbraw/zinc/02/60/20/1205026020.db2.gz HRLGDKFBWJIILB-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780284 1205026595 /nfs/dbraw/zinc/02/65/95/1205026595.db2.gz DPNIABLEEMXAGW-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP Cc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780284 1205026599 /nfs/dbraw/zinc/02/65/99/1205026599.db2.gz DPNIABLEEMXAGW-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780284 1205026603 /nfs/dbraw/zinc/02/66/03/1205026603.db2.gz DPNIABLEEMXAGW-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)n1 ZINC001091780284 1205026607 /nfs/dbraw/zinc/02/66/07/1205026607.db2.gz DPNIABLEEMXAGW-DRRHNWJESA-N 2 2 363.462 0.377 20 0 FCADLP C[C@]12CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001091848595 1205036307 /nfs/dbraw/zinc/03/63/07/1205036307.db2.gz CZIWBBZIYJNFGI-LPMFXHHGSA-N 2 2 353.426 0.617 20 0 FCADLP C[C@]12CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001091848595 1205036310 /nfs/dbraw/zinc/03/63/10/1205036310.db2.gz CZIWBBZIYJNFGI-LPMFXHHGSA-N 2 2 353.426 0.617 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@]3(C)C2)C1=O ZINC001091848824 1205036464 /nfs/dbraw/zinc/03/64/64/1205036464.db2.gz LFZKUYOJMKTEAX-SXGZJXTBSA-N 2 2 367.453 0.959 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)c4cccc5[nH+]ccn54)C[C@]3(C)C2)C1=O ZINC001091848824 1205036468 /nfs/dbraw/zinc/03/64/68/1205036468.db2.gz LFZKUYOJMKTEAX-SXGZJXTBSA-N 2 2 367.453 0.959 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092068941 1205134052 /nfs/dbraw/zinc/13/40/52/1205134052.db2.gz BRFCTEBVIIVLFH-BEFAXECRSA-N 2 2 361.490 0.923 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092068941 1205134054 /nfs/dbraw/zinc/13/40/54/1205134054.db2.gz BRFCTEBVIIVLFH-BEFAXECRSA-N 2 2 361.490 0.923 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099287 1205154957 /nfs/dbraw/zinc/15/49/57/1205154957.db2.gz OLQMXLUTENNXOE-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099287 1205154958 /nfs/dbraw/zinc/15/49/58/1205154958.db2.gz OLQMXLUTENNXOE-APWZRJJASA-N 2 2 362.474 0.986 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)n1 ZINC001092101466 1205158157 /nfs/dbraw/zinc/15/81/57/1205158157.db2.gz FWXHGYVVLLWKKY-APWZRJJASA-N 2 2 361.490 0.423 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@]3(C)C2)n1 ZINC001092101466 1205158161 /nfs/dbraw/zinc/15/81/61/1205158161.db2.gz FWXHGYVVLLWKKY-APWZRJJASA-N 2 2 361.490 0.423 20 0 FCADLP Cc1nonc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092102010 1205158520 /nfs/dbraw/zinc/15/85/20/1205158520.db2.gz SIVOMGRTNQYNEV-QAPCUYQASA-N 2 2 363.462 0.381 20 0 FCADLP Cc1nonc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092102010 1205158524 /nfs/dbraw/zinc/15/85/24/1205158524.db2.gz SIVOMGRTNQYNEV-QAPCUYQASA-N 2 2 363.462 0.381 20 0 FCADLP CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092199765 1205195392 /nfs/dbraw/zinc/19/53/92/1205195392.db2.gz ORPCIEIXEAAJCB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092199765 1205195397 /nfs/dbraw/zinc/19/53/97/1205195397.db2.gz ORPCIEIXEAAJCB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092199765 1205195400 /nfs/dbraw/zinc/19/54/00/1205195400.db2.gz ORPCIEIXEAAJCB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2C[C@@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092199765 1205195404 /nfs/dbraw/zinc/19/54/04/1205195404.db2.gz ORPCIEIXEAAJCB-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)n1 ZINC001092199846 1205195486 /nfs/dbraw/zinc/19/54/86/1205195486.db2.gz RMAHPAUVSWIMEH-APWZRJJASA-N 2 2 371.489 0.651 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)n1 ZINC001092199846 1205195493 /nfs/dbraw/zinc/19/54/93/1205195493.db2.gz RMAHPAUVSWIMEH-APWZRJJASA-N 2 2 371.489 0.651 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)on1 ZINC001092198925 1205195523 /nfs/dbraw/zinc/19/55/23/1205195523.db2.gz CGHDQXHGRPHHSF-ACJLOTCBSA-N 2 2 359.430 0.940 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)on1 ZINC001092198925 1205195524 /nfs/dbraw/zinc/19/55/24/1205195524.db2.gz CGHDQXHGRPHHSF-ACJLOTCBSA-N 2 2 359.430 0.940 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001092200044 1205196061 /nfs/dbraw/zinc/19/60/61/1205196061.db2.gz BCTJBDJUYBXQLV-UZLBHIALSA-N 2 2 369.469 0.642 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@@]2(C)C1 ZINC001092200044 1205196066 /nfs/dbraw/zinc/19/60/66/1205196066.db2.gz BCTJBDJUYBXQLV-UZLBHIALSA-N 2 2 369.469 0.642 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092199992 1205196082 /nfs/dbraw/zinc/19/60/82/1205196082.db2.gz ZQRJCKIQHIYTQY-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@@]2(C)C1 ZINC001092199992 1205196086 /nfs/dbraw/zinc/19/60/86/1205196086.db2.gz ZQRJCKIQHIYTQY-ALKREAHSSA-N 2 2 359.474 0.364 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092203676 1205197033 /nfs/dbraw/zinc/19/70/33/1205197033.db2.gz GNLZPKVTSCNWQU-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@@]2(C)C1 ZINC001092203676 1205197037 /nfs/dbraw/zinc/19/70/37/1205197037.db2.gz GNLZPKVTSCNWQU-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302362 1205235303 /nfs/dbraw/zinc/23/53/03/1205235303.db2.gz ZKMBDNMAXYSJHU-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302362 1205235307 /nfs/dbraw/zinc/23/53/07/1205235307.db2.gz ZKMBDNMAXYSJHU-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302362 1205235310 /nfs/dbraw/zinc/23/53/10/1205235310.db2.gz ZKMBDNMAXYSJHU-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C)C[C@@]2(C)C1 ZINC001092302362 1205235316 /nfs/dbraw/zinc/23/53/16/1205235316.db2.gz ZKMBDNMAXYSJHU-GJYPPUQNSA-N 2 2 360.506 0.970 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)c(C)n1 ZINC001092319874 1205247441 /nfs/dbraw/zinc/24/74/41/1205247441.db2.gz VZIBWHJMKUAOJE-APWZRJJASA-N 2 2 370.457 0.971 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)c(C)n1 ZINC001092319874 1205247447 /nfs/dbraw/zinc/24/74/47/1205247447.db2.gz VZIBWHJMKUAOJE-APWZRJJASA-N 2 2 370.457 0.971 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001092385460 1205270047 /nfs/dbraw/zinc/27/00/47/1205270047.db2.gz ZYBHYGMLIZGABH-RBSFLKMASA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001092385460 1205270049 /nfs/dbraw/zinc/27/00/49/1205270049.db2.gz ZYBHYGMLIZGABH-RBSFLKMASA-N 2 2 371.489 0.894 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504068 1205297005 /nfs/dbraw/zinc/29/70/05/1205297005.db2.gz IBUCLMHRIHIVAR-KFWWJZLASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504068 1205297007 /nfs/dbraw/zinc/29/70/07/1205297007.db2.gz IBUCLMHRIHIVAR-KFWWJZLASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504068 1205297009 /nfs/dbraw/zinc/29/70/09/1205297009.db2.gz IBUCLMHRIHIVAR-KFWWJZLASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504068 1205297012 /nfs/dbraw/zinc/29/70/12/1205297012.db2.gz IBUCLMHRIHIVAR-KFWWJZLASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675932 1205336463 /nfs/dbraw/zinc/33/64/63/1205336463.db2.gz PTFHSZNRZJMWDB-IIAWOOMASA-N 2 2 357.462 0.773 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092675932 1205336466 /nfs/dbraw/zinc/33/64/66/1205336466.db2.gz PTFHSZNRZJMWDB-IIAWOOMASA-N 2 2 357.462 0.773 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220482479 1224888850 /nfs/dbraw/zinc/88/88/50/1224888850.db2.gz VJTDJKUQEFWTCZ-SJORKVTESA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220482479 1224888856 /nfs/dbraw/zinc/88/88/56/1224888856.db2.gz VJTDJKUQEFWTCZ-SJORKVTESA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918342 1205944500 /nfs/dbraw/zinc/94/45/00/1205944500.db2.gz FNNGGZQRGPKOFZ-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)C[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001092918342 1205944502 /nfs/dbraw/zinc/94/45/02/1205944502.db2.gz FNNGGZQRGPKOFZ-UKRRQHHQSA-N 2 2 360.462 0.968 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125225 1206028965 /nfs/dbraw/zinc/02/89/65/1206028965.db2.gz IHEXZPGCPIVEJN-ZIAGYGMSSA-N 2 2 356.430 0.311 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125225 1206028970 /nfs/dbraw/zinc/02/89/70/1206028970.db2.gz IHEXZPGCPIVEJN-ZIAGYGMSSA-N 2 2 356.430 0.311 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)on1 ZINC001093193058 1206052130 /nfs/dbraw/zinc/05/21/30/1206052130.db2.gz BOLOHBNZSWORTJ-VHDGCEQUSA-N 2 2 363.462 0.557 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)on1 ZINC001093193058 1206052134 /nfs/dbraw/zinc/05/21/34/1206052134.db2.gz BOLOHBNZSWORTJ-VHDGCEQUSA-N 2 2 363.462 0.557 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)on1 ZINC001093193058 1206052137 /nfs/dbraw/zinc/05/21/37/1206052137.db2.gz BOLOHBNZSWORTJ-VHDGCEQUSA-N 2 2 363.462 0.557 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)on1 ZINC001093193058 1206052141 /nfs/dbraw/zinc/05/21/41/1206052141.db2.gz BOLOHBNZSWORTJ-VHDGCEQUSA-N 2 2 363.462 0.557 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213040 1206059945 /nfs/dbraw/zinc/05/99/45/1206059945.db2.gz TWFDTTOAGZWMLX-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093213040 1206059948 /nfs/dbraw/zinc/05/99/48/1206059948.db2.gz TWFDTTOAGZWMLX-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093213040 1206059952 /nfs/dbraw/zinc/05/99/52/1206059952.db2.gz TWFDTTOAGZWMLX-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1ccnc1C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093213040 1206059954 /nfs/dbraw/zinc/05/99/54/1206059954.db2.gz TWFDTTOAGZWMLX-BRWVUGGUSA-N 2 2 363.506 0.808 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093691428 1206101529 /nfs/dbraw/zinc/10/15/29/1206101529.db2.gz UXJJZDNWDGRICI-FVQBIDKESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093691428 1206101532 /nfs/dbraw/zinc/10/15/32/1206101532.db2.gz UXJJZDNWDGRICI-FVQBIDKESA-N 2 2 364.494 0.121 20 0 FCADLP CCn1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C)nn1 ZINC001093873510 1206139376 /nfs/dbraw/zinc/13/93/76/1206139376.db2.gz NLHIGRYNZHOPLR-BZUAXINKSA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C)c1nnnn1C ZINC001093914146 1206148304 /nfs/dbraw/zinc/14/83/04/1206148304.db2.gz RHWABKUDSMXXRR-MGPQQGTHSA-N 2 2 368.445 0.917 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001093894894 1206152600 /nfs/dbraw/zinc/15/26/00/1206152600.db2.gz ZEUXBXADPKSXSY-TZMCWYRMSA-N 2 2 354.418 0.356 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094034397 1206172767 /nfs/dbraw/zinc/17/27/67/1206172767.db2.gz MMNTZHDHEQLIPY-MGPQQGTHSA-N 2 2 357.462 0.842 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001094033777 1206173202 /nfs/dbraw/zinc/17/32/02/1206173202.db2.gz ATXPWKZLMCPQNL-NFAWXSAZSA-N 2 2 357.462 0.842 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC001094221559 1206204055 /nfs/dbraw/zinc/20/40/55/1206204055.db2.gz RUADGTXLYULJFV-TZMCWYRMSA-N 2 2 361.450 0.525 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001094224664 1206211424 /nfs/dbraw/zinc/21/14/24/1206211424.db2.gz WXBYYHJPVMGPAY-IJEWVQPXSA-N 2 2 365.478 0.530 20 0 FCADLP COCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001094254768 1206212995 /nfs/dbraw/zinc/21/29/95/1206212995.db2.gz KQSIRUAIKGDETH-HZSPNIEDSA-N 2 2 362.434 0.858 20 0 FCADLP Cn1ccnc1C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385044 1206222993 /nfs/dbraw/zinc/22/29/93/1206222993.db2.gz XNVDGOMNUVGOIQ-FRQCXROJSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccnc1C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094385044 1206222995 /nfs/dbraw/zinc/22/29/95/1206222995.db2.gz XNVDGOMNUVGOIQ-FRQCXROJSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccnc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094385044 1206222997 /nfs/dbraw/zinc/22/29/97/1206222997.db2.gz XNVDGOMNUVGOIQ-FRQCXROJSA-N 2 2 361.490 0.612 20 0 FCADLP Cn1ccnc1C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094385044 1206223000 /nfs/dbraw/zinc/22/30/00/1206223000.db2.gz XNVDGOMNUVGOIQ-FRQCXROJSA-N 2 2 361.490 0.612 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110160502 1206242584 /nfs/dbraw/zinc/24/25/84/1206242584.db2.gz RLHCXBSXXBFQOX-YVSFHVDLSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110160502 1206242588 /nfs/dbraw/zinc/24/25/88/1206242588.db2.gz RLHCXBSXXBFQOX-YVSFHVDLSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110160502 1206242591 /nfs/dbraw/zinc/24/25/91/1206242591.db2.gz RLHCXBSXXBFQOX-YVSFHVDLSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110160502 1206242596 /nfs/dbraw/zinc/24/25/96/1206242596.db2.gz RLHCXBSXXBFQOX-YVSFHVDLSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)OCC[C@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172446275 1206261944 /nfs/dbraw/zinc/26/19/44/1206261944.db2.gz YDNWUJWEAQZXKI-BPUTZDHNSA-N 2 2 365.478 0.605 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)COC(C)(C)C)CC2)C1=O ZINC001180319415 1206392882 /nfs/dbraw/zinc/39/28/82/1206392882.db2.gz CQPWSHQUGDFYJO-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)COC(C)(C)C)CC2)C1=O ZINC001180319415 1206392884 /nfs/dbraw/zinc/39/28/84/1206392884.db2.gz CQPWSHQUGDFYJO-UHFFFAOYSA-N 2 2 368.522 0.498 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001180758519 1206399163 /nfs/dbraw/zinc/39/91/63/1206399163.db2.gz HWGUVLPOBHHJKF-GFCCVEGCSA-N 2 2 373.379 0.911 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001180758519 1206399164 /nfs/dbraw/zinc/39/91/64/1206399164.db2.gz HWGUVLPOBHHJKF-GFCCVEGCSA-N 2 2 373.379 0.911 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001183359225 1206451973 /nfs/dbraw/zinc/45/19/73/1206451973.db2.gz BNNSHCRULJRESH-MJGOQNOKSA-N 2 2 368.522 0.260 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001183359225 1206451975 /nfs/dbraw/zinc/45/19/75/1206451975.db2.gz BNNSHCRULJRESH-MJGOQNOKSA-N 2 2 368.522 0.260 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183372950 1206453036 /nfs/dbraw/zinc/45/30/36/1206453036.db2.gz LDCXLEBTENVFJG-GGXPGOJBSA-N 2 2 367.490 0.582 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184469318 1206471590 /nfs/dbraw/zinc/47/15/90/1206471590.db2.gz AUFKLLKYYHGUQV-KURKYZTESA-N 2 2 369.506 0.482 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258452 1206478041 /nfs/dbraw/zinc/47/80/41/1206478041.db2.gz SVUGXLOZUGTTSC-RTBURBONSA-N 2 2 360.502 0.764 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)CC1)c1ccccc1 ZINC001185258452 1206478042 /nfs/dbraw/zinc/47/80/42/1206478042.db2.gz SVUGXLOZUGTTSC-RTBURBONSA-N 2 2 360.502 0.764 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001186038155 1206491676 /nfs/dbraw/zinc/49/16/76/1206491676.db2.gz NGDUVXZOFALBLZ-QGZVFWFLSA-N 2 2 363.458 0.540 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC2(CC1)C[NH+](Cc1ccoc1)CCO2 ZINC001186038155 1206491678 /nfs/dbraw/zinc/49/16/78/1206491678.db2.gz NGDUVXZOFALBLZ-QGZVFWFLSA-N 2 2 363.458 0.540 20 0 FCADLP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001186038155 1206491680 /nfs/dbraw/zinc/49/16/80/1206491680.db2.gz NGDUVXZOFALBLZ-QGZVFWFLSA-N 2 2 363.458 0.540 20 0 FCADLP O=C(C[NH+]1CC[C@@H](O)C1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001186038155 1206491681 /nfs/dbraw/zinc/49/16/81/1206491681.db2.gz NGDUVXZOFALBLZ-QGZVFWFLSA-N 2 2 363.458 0.540 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599770 1224958541 /nfs/dbraw/zinc/95/85/41/1224958541.db2.gz LEYMLQKHDIUGQI-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599770 1224958548 /nfs/dbraw/zinc/95/85/48/1224958548.db2.gz LEYMLQKHDIUGQI-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326306 1206520954 /nfs/dbraw/zinc/52/09/54/1206520954.db2.gz KVNQYIVNOIXSLE-BHYGNILZSA-N 2 2 360.458 0.523 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326306 1206520955 /nfs/dbraw/zinc/52/09/55/1206520955.db2.gz KVNQYIVNOIXSLE-BHYGNILZSA-N 2 2 360.458 0.523 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@H]21 ZINC001187326306 1206520959 /nfs/dbraw/zinc/52/09/59/1206520959.db2.gz KVNQYIVNOIXSLE-BHYGNILZSA-N 2 2 360.458 0.523 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325941 1206521086 /nfs/dbraw/zinc/52/10/86/1206521086.db2.gz FKUGZRMVBKQYHX-IPMKNSEASA-N 2 2 370.497 0.930 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325941 1206521088 /nfs/dbraw/zinc/52/10/88/1206521088.db2.gz FKUGZRMVBKQYHX-IPMKNSEASA-N 2 2 370.497 0.930 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3ccccc3)C[C@H]21 ZINC001187325941 1206521089 /nfs/dbraw/zinc/52/10/89/1206521089.db2.gz FKUGZRMVBKQYHX-IPMKNSEASA-N 2 2 370.497 0.930 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)NCc1ccccc1N1CC[NH2+]CC1)C[NH2+]C2 ZINC001220649218 1224989046 /nfs/dbraw/zinc/98/90/46/1224989046.db2.gz VBKLKVIMQPDLDX-HNNXBMFYSA-N 2 2 369.473 0.211 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)COCC12CN(C(=O)CCCC[NH+](C)C)C2 ZINC001273548744 1207393738 /nfs/dbraw/zinc/39/37/38/1207393738.db2.gz WJPSOTUABYZTAC-UHFFFAOYSA-N 2 2 363.462 0.092 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)NCC1CC1 ZINC001188205653 1207434691 /nfs/dbraw/zinc/43/46/91/1207434691.db2.gz QRAHPHKYTQQAME-YESZJQIVSA-N 2 2 371.485 0.819 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)NCC1CC1 ZINC001188205653 1207434693 /nfs/dbraw/zinc/43/46/93/1207434693.db2.gz QRAHPHKYTQQAME-YESZJQIVSA-N 2 2 371.485 0.819 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212251 1207434711 /nfs/dbraw/zinc/43/47/11/1207434711.db2.gz DTMZULLBJKWPIV-QILLFSRXSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212251 1207434713 /nfs/dbraw/zinc/43/47/13/1207434713.db2.gz DTMZULLBJKWPIV-QILLFSRXSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212251 1207434714 /nfs/dbraw/zinc/43/47/14/1207434714.db2.gz DTMZULLBJKWPIV-QILLFSRXSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1)C1CC1 ZINC001188212251 1207434716 /nfs/dbraw/zinc/43/47/16/1207434716.db2.gz DTMZULLBJKWPIV-QILLFSRXSA-N 2 2 362.518 0.918 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)C2 ZINC001188383660 1207448992 /nfs/dbraw/zinc/44/89/92/1207448992.db2.gz UXTWBGBYWJTDLW-RLFYNMQTSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001188383660 1207448993 /nfs/dbraw/zinc/44/89/93/1207448993.db2.gz UXTWBGBYWJTDLW-RLFYNMQTSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001188383660 1207448994 /nfs/dbraw/zinc/44/89/94/1207448994.db2.gz UXTWBGBYWJTDLW-RLFYNMQTSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001188383660 1207448995 /nfs/dbraw/zinc/44/89/95/1207448995.db2.gz UXTWBGBYWJTDLW-RLFYNMQTSA-N 2 2 362.474 0.365 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](CC)CC ZINC001189109602 1207501196 /nfs/dbraw/zinc/50/11/96/1207501196.db2.gz BBSAMLRGPDDNOI-RRFJBIMHSA-N 2 2 364.494 0.262 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21)[NH+](CC)CC ZINC001189109602 1207501201 /nfs/dbraw/zinc/50/12/01/1207501201.db2.gz BBSAMLRGPDDNOI-RRFJBIMHSA-N 2 2 364.494 0.262 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167187 1207519880 /nfs/dbraw/zinc/51/98/80/1207519880.db2.gz DOTJFEVJKDCGNU-BVIKNXMNSA-N 2 2 362.474 0.719 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167187 1207519889 /nfs/dbraw/zinc/51/98/89/1207519889.db2.gz DOTJFEVJKDCGNU-BVIKNXMNSA-N 2 2 362.474 0.719 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176264 1207658087 /nfs/dbraw/zinc/65/80/87/1207658087.db2.gz DUAFRSGRQNNABZ-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190176264 1207658097 /nfs/dbraw/zinc/65/80/97/1207658097.db2.gz DUAFRSGRQNNABZ-YESZJQIVSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481238 1207686919 /nfs/dbraw/zinc/68/69/19/1207686919.db2.gz RGIZYIBGQAMRQM-LSDHHAIUSA-N 2 2 362.478 0.514 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481238 1207686922 /nfs/dbraw/zinc/68/69/22/1207686922.db2.gz RGIZYIBGQAMRQM-LSDHHAIUSA-N 2 2 362.478 0.514 20 0 FCADLP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21)Cc1ccccc1 ZINC001190486672 1207687701 /nfs/dbraw/zinc/68/77/01/1207687701.db2.gz JZFLNHYICGGXDY-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21)Cc1ccccc1 ZINC001190486672 1207687707 /nfs/dbraw/zinc/68/77/07/1207687707.db2.gz JZFLNHYICGGXDY-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21)Cc1ccccc1 ZINC001190486672 1207687712 /nfs/dbraw/zinc/68/77/12/1207687712.db2.gz JZFLNHYICGGXDY-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]21)Cc1ccccc1 ZINC001190486672 1207687721 /nfs/dbraw/zinc/68/77/21/1207687721.db2.gz JZFLNHYICGGXDY-RBUKOAKNSA-N 2 2 370.497 0.883 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001190487395 1207688390 /nfs/dbraw/zinc/68/83/90/1207688390.db2.gz ZYCWDZINQFATBL-DLBZAZTESA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001190487395 1207688396 /nfs/dbraw/zinc/68/83/96/1207688396.db2.gz ZYCWDZINQFATBL-DLBZAZTESA-N 2 2 359.474 0.722 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486680 1207688679 /nfs/dbraw/zinc/68/86/79/1207688679.db2.gz KOJXUUACQIYSTP-HLLBOEOZSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190486680 1207688683 /nfs/dbraw/zinc/68/86/83/1207688683.db2.gz KOJXUUACQIYSTP-HLLBOEOZSA-N 2 2 359.474 0.863 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1)C1CC1 ZINC001190467027 1207691121 /nfs/dbraw/zinc/69/11/21/1207691121.db2.gz KDHGBIKYGAWYEN-DOTOQJQBSA-N 2 2 359.474 0.817 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1)C1CC1 ZINC001190467027 1207691125 /nfs/dbraw/zinc/69/11/25/1207691125.db2.gz KDHGBIKYGAWYEN-DOTOQJQBSA-N 2 2 359.474 0.817 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689456 1225014801 /nfs/dbraw/zinc/01/48/01/1225014801.db2.gz HHRAKNKAZSQEBG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689456 1225014811 /nfs/dbraw/zinc/01/48/11/1225014811.db2.gz HHRAKNKAZSQEBG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689456 1225014821 /nfs/dbraw/zinc/01/48/21/1225014821.db2.gz HHRAKNKAZSQEBG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001220689456 1225014831 /nfs/dbraw/zinc/01/48/31/1225014831.db2.gz HHRAKNKAZSQEBG-ZACQAIPSSA-N 2 2 368.522 0.137 20 0 FCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468403 1207796329 /nfs/dbraw/zinc/79/63/29/1207796329.db2.gz FCJZXWOKTIJVJO-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001191468403 1207796336 /nfs/dbraw/zinc/79/63/36/1207796336.db2.gz FCJZXWOKTIJVJO-KSZLIROESA-N 2 2 369.506 0.435 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014765 1207816354 /nfs/dbraw/zinc/81/63/54/1207816354.db2.gz VBZUCLQZGFHANJ-KZNAEPCWSA-N 2 2 369.506 0.075 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014765 1207816355 /nfs/dbraw/zinc/81/63/55/1207816355.db2.gz VBZUCLQZGFHANJ-KZNAEPCWSA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014765 1207816357 /nfs/dbraw/zinc/81/63/57/1207816357.db2.gz VBZUCLQZGFHANJ-KZNAEPCWSA-N 2 2 369.506 0.075 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]2O)C1 ZINC001192014765 1207816360 /nfs/dbraw/zinc/81/63/60/1207816360.db2.gz VBZUCLQZGFHANJ-KZNAEPCWSA-N 2 2 369.506 0.075 20 0 FCADLP CC(C)N(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1)C(C)C ZINC001193781889 1207888800 /nfs/dbraw/zinc/88/88/00/1207888800.db2.gz QQAWDVSCDMNNHD-JFIYKMOQSA-N 2 2 368.522 0.133 20 0 FCADLP CC(C)N(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1)C(C)C ZINC001193781889 1207888801 /nfs/dbraw/zinc/88/88/01/1207888801.db2.gz QQAWDVSCDMNNHD-JFIYKMOQSA-N 2 2 368.522 0.133 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)ccn1 ZINC001193791915 1207889234 /nfs/dbraw/zinc/88/92/34/1207889234.db2.gz TXVAITFZWLSMQH-IAGOWNOFSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)ccn1 ZINC001193791915 1207889236 /nfs/dbraw/zinc/88/92/36/1207889236.db2.gz TXVAITFZWLSMQH-IAGOWNOFSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)ccn1 ZINC001193791915 1207889239 /nfs/dbraw/zinc/88/92/39/1207889239.db2.gz TXVAITFZWLSMQH-IAGOWNOFSA-N 2 2 361.490 0.293 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O)C1CC1 ZINC001193791417 1207889346 /nfs/dbraw/zinc/88/93/46/1207889346.db2.gz MANJTERMIHPIDT-JFIYKMOQSA-N 2 2 365.449 0.706 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)C1CC1 ZINC001193791417 1207889348 /nfs/dbraw/zinc/88/93/48/1207889348.db2.gz MANJTERMIHPIDT-JFIYKMOQSA-N 2 2 365.449 0.706 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806006 1207891773 /nfs/dbraw/zinc/89/17/73/1207891773.db2.gz XLAIJSQJIJUATH-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193806006 1207891776 /nfs/dbraw/zinc/89/17/76/1207891776.db2.gz XLAIJSQJIJUATH-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193806006 1207891779 /nfs/dbraw/zinc/89/17/79/1207891779.db2.gz XLAIJSQJIJUATH-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193806006 1207891780 /nfs/dbraw/zinc/89/17/80/1207891780.db2.gz XLAIJSQJIJUATH-FVQBIDKESA-N 2 2 368.522 0.325 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821487 1207892657 /nfs/dbraw/zinc/89/26/57/1207892657.db2.gz KLODNNCAGHUVOT-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821487 1207892658 /nfs/dbraw/zinc/89/26/58/1207892658.db2.gz KLODNNCAGHUVOT-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821487 1207892660 /nfs/dbraw/zinc/89/26/60/1207892660.db2.gz KLODNNCAGHUVOT-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821487 1207892661 /nfs/dbraw/zinc/89/26/61/1207892661.db2.gz KLODNNCAGHUVOT-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+]1CCN(c2cncc(C(=O)NCC3([NH+]4CCCC4)COC3)c2)CC1 ZINC001193951488 1207900737 /nfs/dbraw/zinc/90/07/37/1207900737.db2.gz KVQRSFXMNKLKLU-UHFFFAOYSA-N 2 2 359.474 0.428 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O)[NH+](C)C ZINC001193960937 1207902356 /nfs/dbraw/zinc/90/23/56/1207902356.db2.gz JPKYZGUTIATEED-ZACQAIPSSA-N 2 2 362.474 0.033 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1O)[NH+](C)C ZINC001193960937 1207902358 /nfs/dbraw/zinc/90/23/58/1207902358.db2.gz JPKYZGUTIATEED-ZACQAIPSSA-N 2 2 362.474 0.033 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258763 1207927340 /nfs/dbraw/zinc/92/73/40/1207927340.db2.gz OEDOVEMVRLZGLD-RBSFLKMASA-N 2 2 368.522 0.277 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258763 1207927343 /nfs/dbraw/zinc/92/73/43/1207927343.db2.gz OEDOVEMVRLZGLD-RBSFLKMASA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258763 1207927347 /nfs/dbraw/zinc/92/73/47/1207927347.db2.gz OEDOVEMVRLZGLD-RBSFLKMASA-N 2 2 368.522 0.277 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1O ZINC001194258763 1207927352 /nfs/dbraw/zinc/92/73/52/1207927352.db2.gz OEDOVEMVRLZGLD-RBSFLKMASA-N 2 2 368.522 0.277 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988926 1207987312 /nfs/dbraw/zinc/98/73/12/1207987312.db2.gz SBRNQSJAVVRJTR-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194988926 1207987314 /nfs/dbraw/zinc/98/73/14/1207987314.db2.gz SBRNQSJAVVRJTR-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194988926 1207987317 /nfs/dbraw/zinc/98/73/17/1207987317.db2.gz SBRNQSJAVVRJTR-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194988926 1207987320 /nfs/dbraw/zinc/98/73/20/1207987320.db2.gz SBRNQSJAVVRJTR-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001195148788 1207999565 /nfs/dbraw/zinc/99/95/65/1207999565.db2.gz AKSWNCOLEPPGOO-RCCFBDPRSA-N 2 2 358.442 0.038 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001195148788 1207999569 /nfs/dbraw/zinc/99/95/69/1207999569.db2.gz AKSWNCOLEPPGOO-RCCFBDPRSA-N 2 2 358.442 0.038 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1C ZINC001195148838 1208000261 /nfs/dbraw/zinc/00/02/61/1208000261.db2.gz BRELFUJBKBJXLG-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1C ZINC001195148838 1208000264 /nfs/dbraw/zinc/00/02/64/1208000264.db2.gz BRELFUJBKBJXLG-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP Cc1ccccc1OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149485 1208005046 /nfs/dbraw/zinc/00/50/46/1208005046.db2.gz OYAQQBUHLASUIV-IAGOWNOFSA-N 2 2 358.442 0.822 20 0 FCADLP Cc1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149485 1208005048 /nfs/dbraw/zinc/00/50/48/1208005048.db2.gz OYAQQBUHLASUIV-IAGOWNOFSA-N 2 2 358.442 0.822 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594728 1208026623 /nfs/dbraw/zinc/02/66/23/1208026623.db2.gz UWROGHWUPNRZGF-KURKYZTESA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594728 1208026626 /nfs/dbraw/zinc/02/66/26/1208026626.db2.gz UWROGHWUPNRZGF-KURKYZTESA-N 2 2 371.522 0.320 20 0 FCADLP CC(C)CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594728 1208026630 /nfs/dbraw/zinc/02/66/30/1208026630.db2.gz UWROGHWUPNRZGF-KURKYZTESA-N 2 2 371.522 0.320 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676246 1208032850 /nfs/dbraw/zinc/03/28/50/1208032850.db2.gz ACQJMFGFIHXFOA-IAGOWNOFSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676246 1208032851 /nfs/dbraw/zinc/03/28/51/1208032851.db2.gz ACQJMFGFIHXFOA-IAGOWNOFSA-N 2 2 363.506 0.776 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707955 1208035772 /nfs/dbraw/zinc/03/57/72/1208035772.db2.gz BJSODLYKYDQRBE-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707955 1208035775 /nfs/dbraw/zinc/03/57/75/1208035775.db2.gz BJSODLYKYDQRBE-BRWVUGGUSA-N 2 2 370.538 0.383 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H]1O ZINC001195859995 1208041853 /nfs/dbraw/zinc/04/18/53/1208041853.db2.gz QTXYPGNWUHRIKR-IXDOHACOSA-N 2 2 360.458 0.053 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H]1O ZINC001195859995 1208041858 /nfs/dbraw/zinc/04/18/58/1208041858.db2.gz QTXYPGNWUHRIKR-IXDOHACOSA-N 2 2 360.458 0.053 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@H]2O)C1 ZINC001196185325 1208060313 /nfs/dbraw/zinc/06/03/13/1208060313.db2.gz UZOJFALLLSHDAV-BRWVUGGUSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@H]3CCCO3)C[C@H]2O)C1 ZINC001196185325 1208060315 /nfs/dbraw/zinc/06/03/15/1208060315.db2.gz UZOJFALLLSHDAV-BRWVUGGUSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]2O)C1 ZINC001196185325 1208060318 /nfs/dbraw/zinc/06/03/18/1208060318.db2.gz UZOJFALLLSHDAV-BRWVUGGUSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]2O)C1 ZINC001196185325 1208060322 /nfs/dbraw/zinc/06/03/22/1208060322.db2.gz UZOJFALLLSHDAV-BRWVUGGUSA-N 2 2 369.506 0.075 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222316 1208067107 /nfs/dbraw/zinc/06/71/07/1208067107.db2.gz KORYUFNAYPLZAP-BZUAXINKSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222316 1208067110 /nfs/dbraw/zinc/06/71/10/1208067110.db2.gz KORYUFNAYPLZAP-BZUAXINKSA-N 2 2 370.538 0.383 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222316 1208067113 /nfs/dbraw/zinc/06/71/13/1208067113.db2.gz KORYUFNAYPLZAP-BZUAXINKSA-N 2 2 370.538 0.383 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCOC[C@H]3CCCO3)CC2)O1 ZINC001196269314 1208069405 /nfs/dbraw/zinc/06/94/05/1208069405.db2.gz SKXNAYTXXMYPOB-KZNAEPCWSA-N 2 2 369.506 0.435 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCOC[C@H]3CCCO3)CC2)O1 ZINC001196269314 1208069408 /nfs/dbraw/zinc/06/94/08/1208069408.db2.gz SKXNAYTXXMYPOB-KZNAEPCWSA-N 2 2 369.506 0.435 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCOC[C@H]3CCCO3)CC2)O1 ZINC001196269314 1208069415 /nfs/dbraw/zinc/06/94/15/1208069415.db2.gz SKXNAYTXXMYPOB-KZNAEPCWSA-N 2 2 369.506 0.435 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307636 1208071227 /nfs/dbraw/zinc/07/12/27/1208071227.db2.gz QYPKNFVRXVDOGT-NUEKZKHPSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196307636 1208071231 /nfs/dbraw/zinc/07/12/31/1208071231.db2.gz QYPKNFVRXVDOGT-NUEKZKHPSA-N 2 2 366.462 0.145 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196498610 1208089227 /nfs/dbraw/zinc/08/92/27/1208089227.db2.gz FJTZDGKCVMGUSK-BMGDILEWSA-N 2 2 358.442 0.688 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)n1cc[nH+]c1 ZINC001196498610 1208089231 /nfs/dbraw/zinc/08/92/31/1208089231.db2.gz FJTZDGKCVMGUSK-BMGDILEWSA-N 2 2 358.442 0.688 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939932 1208124129 /nfs/dbraw/zinc/12/41/29/1208124129.db2.gz NTTNNUIIZMITKR-QZTJIDSGSA-N 2 2 371.522 0.467 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939932 1208124131 /nfs/dbraw/zinc/12/41/31/1208124131.db2.gz NTTNNUIIZMITKR-QZTJIDSGSA-N 2 2 371.522 0.467 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000724 1208128143 /nfs/dbraw/zinc/12/81/43/1208128143.db2.gz ITPFRQNNZKRESZ-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000724 1208128145 /nfs/dbraw/zinc/12/81/45/1208128145.db2.gz ITPFRQNNZKRESZ-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001197000724 1208128150 /nfs/dbraw/zinc/12/81/50/1208128150.db2.gz ITPFRQNNZKRESZ-USXIJHARSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000851 1208128205 /nfs/dbraw/zinc/12/82/05/1208128205.db2.gz MRSCLLXISKDIEG-GVDBMIGSSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000851 1208128206 /nfs/dbraw/zinc/12/82/06/1208128206.db2.gz MRSCLLXISKDIEG-GVDBMIGSSA-N 2 2 370.538 0.575 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC)C[C@H]1O ZINC001197000851 1208128211 /nfs/dbraw/zinc/12/82/11/1208128211.db2.gz MRSCLLXISKDIEG-GVDBMIGSSA-N 2 2 370.538 0.575 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O)C(C)C ZINC001197018388 1208132253 /nfs/dbraw/zinc/13/22/53/1208132253.db2.gz SEZMBMAEZHDUGO-KZNAEPCWSA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O)C(C)C ZINC001197018388 1208132258 /nfs/dbraw/zinc/13/22/58/1208132258.db2.gz SEZMBMAEZHDUGO-KZNAEPCWSA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001197057748 1208132303 /nfs/dbraw/zinc/13/23/03/1208132303.db2.gz ISLOEKXMQCPORI-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001197057748 1208132306 /nfs/dbraw/zinc/13/23/06/1208132306.db2.gz ISLOEKXMQCPORI-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O)C(C)C ZINC001197024411 1208133177 /nfs/dbraw/zinc/13/31/77/1208133177.db2.gz CRRZGHFYWAKBFO-JFIYKMOQSA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O)C(C)C ZINC001197024411 1208133180 /nfs/dbraw/zinc/13/31/80/1208133180.db2.gz CRRZGHFYWAKBFO-JFIYKMOQSA-N 2 2 368.522 0.135 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O)C(C)C ZINC001197018796 1208133189 /nfs/dbraw/zinc/13/31/89/1208133189.db2.gz ZDTNCWNXHWJZMM-BRWVUGGUSA-N 2 2 368.522 0.040 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O)C(C)C ZINC001197018796 1208133191 /nfs/dbraw/zinc/13/31/91/1208133191.db2.gz ZDTNCWNXHWJZMM-BRWVUGGUSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139690 1208138088 /nfs/dbraw/zinc/13/80/88/1208138088.db2.gz ODJBMCMEWKXMAQ-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139690 1208138090 /nfs/dbraw/zinc/13/80/90/1208138090.db2.gz ODJBMCMEWKXMAQ-GVDBMIGSSA-N 2 2 368.522 0.135 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492931 1208166844 /nfs/dbraw/zinc/16/68/44/1208166844.db2.gz BGEPXLDJTUGMNS-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492931 1208166847 /nfs/dbraw/zinc/16/68/47/1208166847.db2.gz BGEPXLDJTUGMNS-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492931 1208166849 /nfs/dbraw/zinc/16/68/49/1208166849.db2.gz BGEPXLDJTUGMNS-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C[C@H]1O ZINC001197492931 1208166852 /nfs/dbraw/zinc/16/68/52/1208166852.db2.gz BGEPXLDJTUGMNS-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493568 1208171634 /nfs/dbraw/zinc/17/16/34/1208171634.db2.gz SGVTXOAPGFAANP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493568 1208171635 /nfs/dbraw/zinc/17/16/35/1208171635.db2.gz SGVTXOAPGFAANP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493568 1208171636 /nfs/dbraw/zinc/17/16/36/1208171636.db2.gz SGVTXOAPGFAANP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001197493568 1208171637 /nfs/dbraw/zinc/17/16/37/1208171637.db2.gz SGVTXOAPGFAANP-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197723420 1208190586 /nfs/dbraw/zinc/19/05/86/1208190586.db2.gz HOOMNMLXQGCWOP-BRWVUGGUSA-N 2 2 370.538 0.527 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1O ZINC001197723420 1208190590 /nfs/dbraw/zinc/19/05/90/1208190590.db2.gz HOOMNMLXQGCWOP-BRWVUGGUSA-N 2 2 370.538 0.527 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926594 1208205963 /nfs/dbraw/zinc/20/59/63/1208205963.db2.gz PUBWERHYDDBEML-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926594 1208205968 /nfs/dbraw/zinc/20/59/68/1208205968.db2.gz PUBWERHYDDBEML-DJIMGWMZSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197941359 1208207924 /nfs/dbraw/zinc/20/79/24/1208207924.db2.gz KPHUAXNSNHLRKW-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197941359 1208207927 /nfs/dbraw/zinc/20/79/27/1208207927.db2.gz KPHUAXNSNHLRKW-GVDBMIGSSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001197955445 1208209242 /nfs/dbraw/zinc/20/92/42/1208209242.db2.gz MXRXFQBDXCDXRD-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001197955445 1208209244 /nfs/dbraw/zinc/20/92/44/1208209244.db2.gz MXRXFQBDXCDXRD-IXDOHACOSA-N 2 2 366.506 0.033 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001198020483 1208214956 /nfs/dbraw/zinc/21/49/56/1208214956.db2.gz NXFYNXKDECNLML-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001198020483 1208214957 /nfs/dbraw/zinc/21/49/57/1208214957.db2.gz NXFYNXKDECNLML-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001198020483 1208214961 /nfs/dbraw/zinc/21/49/61/1208214961.db2.gz NXFYNXKDECNLML-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@H]1O ZINC001198020483 1208214963 /nfs/dbraw/zinc/21/49/63/1208214963.db2.gz NXFYNXKDECNLML-IAGOWNOFSA-N 2 2 370.538 0.383 20 0 FCADLP C[NH+]1CCN(c2cnccc2C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001198146404 1208223818 /nfs/dbraw/zinc/22/38/18/1208223818.db2.gz GLAQZEAXGPCXGO-UHFFFAOYSA-N 2 2 373.501 0.770 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198292020 1208235451 /nfs/dbraw/zinc/23/54/51/1208235451.db2.gz GOADVLNRLSODHS-KZNAEPCWSA-N 2 2 364.490 0.455 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@H]1O ZINC001198292020 1208235454 /nfs/dbraw/zinc/23/54/54/1208235454.db2.gz GOADVLNRLSODHS-KZNAEPCWSA-N 2 2 364.490 0.455 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)C(C)C ZINC001198671573 1208281451 /nfs/dbraw/zinc/28/14/51/1208281451.db2.gz FVTDWRNGMWIXSS-BRWVUGGUSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)C(C)C ZINC001198671573 1208281455 /nfs/dbraw/zinc/28/14/55/1208281455.db2.gz FVTDWRNGMWIXSS-BRWVUGGUSA-N 2 2 368.522 0.277 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)C1CC1 ZINC001198729514 1208283774 /nfs/dbraw/zinc/28/37/74/1208283774.db2.gz QCEYRAJMIPLDQX-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1)C1CC1 ZINC001198729514 1208283778 /nfs/dbraw/zinc/28/37/78/1208283778.db2.gz QCEYRAJMIPLDQX-IAGOWNOFSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729570 1208283847 /nfs/dbraw/zinc/28/38/47/1208283847.db2.gz STCIHHQEASMMFS-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)C1=O ZINC001198729570 1208283851 /nfs/dbraw/zinc/28/38/51/1208283851.db2.gz STCIHHQEASMMFS-IXDOHACOSA-N 2 2 366.506 0.035 20 0 FCADLP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742738 1208284924 /nfs/dbraw/zinc/28/49/24/1208284924.db2.gz QUTLMEWMBPTKDN-FMKPAKJESA-N 2 2 362.474 0.528 20 0 FCADLP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742738 1208284928 /nfs/dbraw/zinc/28/49/28/1208284928.db2.gz QUTLMEWMBPTKDN-FMKPAKJESA-N 2 2 362.474 0.528 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199057290 1208314720 /nfs/dbraw/zinc/31/47/20/1208314720.db2.gz GMBCLODKPPBYLV-CGTJXYLNSA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199057290 1208314722 /nfs/dbraw/zinc/31/47/22/1208314722.db2.gz GMBCLODKPPBYLV-CGTJXYLNSA-N 2 2 361.490 0.883 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001199071346 1208316300 /nfs/dbraw/zinc/31/63/00/1208316300.db2.gz SBIDOFRHAMULNC-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1O ZINC001199071346 1208316304 /nfs/dbraw/zinc/31/63/04/1208316304.db2.gz SBIDOFRHAMULNC-IAGOWNOFSA-N 2 2 366.506 0.036 20 0 FCADLP CCOC(=O)c1nnc(CNC(=O)c2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC001199359559 1208342651 /nfs/dbraw/zinc/34/26/51/1208342651.db2.gz FYYFXLDPDNJSCQ-UHFFFAOYSA-N 2 2 374.401 0.323 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384373 1208345144 /nfs/dbraw/zinc/34/51/44/1208345144.db2.gz IQCKIMLSPXWFRC-GUDVDZBRSA-N 2 2 361.486 0.849 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384373 1208345148 /nfs/dbraw/zinc/34/51/48/1208345148.db2.gz IQCKIMLSPXWFRC-GUDVDZBRSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384373 1208345151 /nfs/dbraw/zinc/34/51/51/1208345151.db2.gz IQCKIMLSPXWFRC-GUDVDZBRSA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O)Cc1ccccc1 ZINC001199384373 1208345154 /nfs/dbraw/zinc/34/51/54/1208345154.db2.gz IQCKIMLSPXWFRC-GUDVDZBRSA-N 2 2 361.486 0.849 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1O ZINC001199398302 1208348780 /nfs/dbraw/zinc/34/87/80/1208348780.db2.gz NPKDPZLDMDHWEI-QZTJIDSGSA-N 2 2 358.442 0.904 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1O ZINC001199398302 1208348784 /nfs/dbraw/zinc/34/87/84/1208348784.db2.gz NPKDPZLDMDHWEI-QZTJIDSGSA-N 2 2 358.442 0.904 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001487668644 1208390844 /nfs/dbraw/zinc/39/08/44/1208390844.db2.gz GVSXTBKHMYYJMY-UNEWFSDZSA-N 2 2 361.490 0.954 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001487668644 1208390848 /nfs/dbraw/zinc/39/08/48/1208390848.db2.gz GVSXTBKHMYYJMY-UNEWFSDZSA-N 2 2 361.490 0.954 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001691701619 1208415427 /nfs/dbraw/zinc/41/54/27/1208415427.db2.gz RMCXUQXLXJBPBK-XLMAVXFVSA-N 2 2 372.473 0.867 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691701619 1208415430 /nfs/dbraw/zinc/41/54/30/1208415430.db2.gz RMCXUQXLXJBPBK-XLMAVXFVSA-N 2 2 372.473 0.867 20 0 FCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001201736899 1208464271 /nfs/dbraw/zinc/46/42/71/1208464271.db2.gz KJTHQAMFZZGFAF-NXHRZFHOSA-N 2 2 369.506 0.482 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801342 1225079884 /nfs/dbraw/zinc/07/98/84/1225079884.db2.gz DMDUFSHNOSSWMN-OIISXLGYSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801342 1225079889 /nfs/dbraw/zinc/07/98/89/1225079889.db2.gz DMDUFSHNOSSWMN-OIISXLGYSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801343 1225080205 /nfs/dbraw/zinc/08/02/05/1225080205.db2.gz DMDUFSHNOSSWMN-UAGQMJEPSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801343 1225080212 /nfs/dbraw/zinc/08/02/12/1225080212.db2.gz DMDUFSHNOSSWMN-UAGQMJEPSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802275 1225080717 /nfs/dbraw/zinc/08/07/17/1225080717.db2.gz UTGGZTSHOIYDKY-OAGGEKHMSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802275 1225080723 /nfs/dbraw/zinc/08/07/23/1225080723.db2.gz UTGGZTSHOIYDKY-OAGGEKHMSA-N 2 2 370.538 0.573 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001489267237 1208706670 /nfs/dbraw/zinc/70/66/70/1208706670.db2.gz CEGCGZXIDKCIPZ-JKSUJKDBSA-N 2 2 359.474 0.888 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001489545301 1208907073 /nfs/dbraw/zinc/90/70/73/1208907073.db2.gz MSPTXAWINLEUIK-ARFHVFGLSA-N 2 2 365.478 0.518 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1OC ZINC001489545301 1208907076 /nfs/dbraw/zinc/90/70/76/1208907076.db2.gz MSPTXAWINLEUIK-ARFHVFGLSA-N 2 2 365.478 0.518 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001220888258 1225124867 /nfs/dbraw/zinc/12/48/67/1225124867.db2.gz IGAUCPAHGVGSFY-MSOLQXFVSA-N 2 2 358.442 0.593 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O ZINC001220888258 1225124870 /nfs/dbraw/zinc/12/48/70/1225124870.db2.gz IGAUCPAHGVGSFY-MSOLQXFVSA-N 2 2 358.442 0.593 20 0 FCADLP O=C(NCC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220924070 1225143342 /nfs/dbraw/zinc/14/33/42/1225143342.db2.gz NIUITBMLEQOJMJ-OXJNMPFZSA-N 2 2 374.460 0.746 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001110660384 1209582637 /nfs/dbraw/zinc/58/26/37/1209582637.db2.gz CGDFDGACEYKKJG-YJNKXOJESA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(N)=O ZINC001110660384 1209582641 /nfs/dbraw/zinc/58/26/41/1209582641.db2.gz CGDFDGACEYKKJG-YJNKXOJESA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001110660384 1209582644 /nfs/dbraw/zinc/58/26/44/1209582644.db2.gz CGDFDGACEYKKJG-YJNKXOJESA-N 2 2 365.478 0.166 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001110660384 1209582648 /nfs/dbraw/zinc/58/26/48/1209582648.db2.gz CGDFDGACEYKKJG-YJNKXOJESA-N 2 2 365.478 0.166 20 0 FCADLP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660334 1209582941 /nfs/dbraw/zinc/58/29/41/1209582941.db2.gz BMRHZWGHYVIRGP-ZJPYXAASSA-N 2 2 363.506 0.961 20 0 FCADLP CCOCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001110660334 1209582950 /nfs/dbraw/zinc/58/29/50/1209582950.db2.gz BMRHZWGHYVIRGP-ZJPYXAASSA-N 2 2 363.506 0.961 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110741128 1209779729 /nfs/dbraw/zinc/77/97/29/1209779729.db2.gz SIDCLCDIOOWKON-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110741128 1209779732 /nfs/dbraw/zinc/77/97/32/1209779732.db2.gz SIDCLCDIOOWKON-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110741128 1209779735 /nfs/dbraw/zinc/77/97/35/1209779735.db2.gz SIDCLCDIOOWKON-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110741128 1209779737 /nfs/dbraw/zinc/77/97/37/1209779737.db2.gz SIDCLCDIOOWKON-OAGGEKHMSA-N 2 2 368.522 0.591 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cn1 ZINC000861508591 1209868904 /nfs/dbraw/zinc/86/89/04/1209868904.db2.gz RDAMGYUHDBYPEP-OAHLLOKOSA-N 2 2 356.430 0.971 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275617 1209907840 /nfs/dbraw/zinc/90/78/40/1209907840.db2.gz WQLJSZYSHFMMME-GJZGRUSLSA-N 2 2 370.494 0.374 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862275618 1209908368 /nfs/dbraw/zinc/90/83/68/1209908368.db2.gz WQLJSZYSHFMMME-HUUCEWRRSA-N 2 2 370.494 0.374 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001111496901 1209911735 /nfs/dbraw/zinc/91/17/35/1209911735.db2.gz KKQQYTRPICCYAI-OAGGEKHMSA-N 2 2 373.457 0.534 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001111496901 1209911740 /nfs/dbraw/zinc/91/17/40/1209911740.db2.gz KKQQYTRPICCYAI-OAGGEKHMSA-N 2 2 373.457 0.534 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985764 1225174143 /nfs/dbraw/zinc/17/41/43/1225174143.db2.gz FFWZAKBNXLRNPM-QRQLOZEOSA-N 2 2 361.486 0.625 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)cc1 ZINC001220985764 1225174152 /nfs/dbraw/zinc/17/41/52/1225174152.db2.gz FFWZAKBNXLRNPM-QRQLOZEOSA-N 2 2 361.486 0.625 20 0 FCADLP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985802 1225174359 /nfs/dbraw/zinc/17/43/59/1225174359.db2.gz GLEKKCGKFNLXRD-QGTPRVQTSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985802 1225174365 /nfs/dbraw/zinc/17/43/65/1225174365.db2.gz GLEKKCGKFNLXRD-QGTPRVQTSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986005 1225174405 /nfs/dbraw/zinc/17/44/05/1225174405.db2.gz ODRVTOYYTZJGDC-NXHRZFHOSA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986005 1225174408 /nfs/dbraw/zinc/17/44/08/1225174408.db2.gz ODRVTOYYTZJGDC-NXHRZFHOSA-N 2 2 362.474 0.020 20 0 FCADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)/C=C/C[NH+]3CCOCC3)cc21 ZINC000865054307 1209969424 /nfs/dbraw/zinc/96/94/24/1209969424.db2.gz VZLJMNHCZBQXDZ-ONEGZZNKSA-N 2 2 374.441 0.983 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981378 1225173487 /nfs/dbraw/zinc/17/34/87/1225173487.db2.gz UDSJKQLDCCOCCL-KSZLIROESA-N 2 2 371.522 0.179 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981378 1225173494 /nfs/dbraw/zinc/17/34/94/1225173494.db2.gz UDSJKQLDCCOCCL-KSZLIROESA-N 2 2 371.522 0.179 20 0 FCADLP O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000866722906 1210005614 /nfs/dbraw/zinc/00/56/14/1210005614.db2.gz APEYTBDTSSRXHK-VQTJNVASSA-N 2 2 372.513 0.961 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)CC1=O ZINC000870081434 1210107865 /nfs/dbraw/zinc/10/78/65/1210107865.db2.gz GYEUKOFWJZXJHG-NVXWUHKLSA-N 2 2 360.458 0.275 20 0 FCADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000872192567 1210177276 /nfs/dbraw/zinc/17/72/76/1210177276.db2.gz JAEAOILWUGWSKX-SJORKVTESA-N 2 2 362.449 0.981 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CC1=O ZINC000874893438 1210321273 /nfs/dbraw/zinc/32/12/73/1210321273.db2.gz RMMLISXQSNJGCS-RDJZCZTQSA-N 2 2 362.449 0.709 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@H]2CCC[N@@H+]([C@H]3CC[NH2+]C3)C2)c1 ZINC001221060643 1225204343 /nfs/dbraw/zinc/20/43/43/1225204343.db2.gz INUKHHVUDWEKLY-IRXDYDNUSA-N 2 2 374.485 0.502 20 0 FCADLP COc1cccc(CNC(=O)CNC(=O)[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C3)C2)c1 ZINC001221060643 1225204349 /nfs/dbraw/zinc/20/43/49/1225204349.db2.gz INUKHHVUDWEKLY-IRXDYDNUSA-N 2 2 374.485 0.502 20 0 FCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000875198178 1210349769 /nfs/dbraw/zinc/34/97/69/1210349769.db2.gz IEXDXTMPIIQVSF-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000875198178 1210349776 /nfs/dbraw/zinc/34/97/76/1210349776.db2.gz IEXDXTMPIIQVSF-UHFFFAOYSA-N 2 2 368.522 0.851 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C1 ZINC000875347605 1210367550 /nfs/dbraw/zinc/36/75/50/1210367550.db2.gz RVUREUDXIZTKIX-GPMSIDNRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C1 ZINC000875347605 1210367554 /nfs/dbraw/zinc/36/75/54/1210367554.db2.gz RVUREUDXIZTKIX-GPMSIDNRSA-N 2 2 368.522 0.774 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073088 1225209373 /nfs/dbraw/zinc/20/93/73/1225209373.db2.gz FUVBYODRARHUJN-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC001221073088 1225209381 /nfs/dbraw/zinc/20/93/81/1225209381.db2.gz FUVBYODRARHUJN-SJORKVTESA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)C[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)n1cc[nH+]c1 ZINC000877260295 1210441745 /nfs/dbraw/zinc/44/17/45/1210441745.db2.gz XJHILWXFZPIRQA-JONQDZQNSA-N 2 2 361.446 0.864 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000878848824 1210467463 /nfs/dbraw/zinc/46/74/63/1210467463.db2.gz CVNIKVSEYREGNR-WBVHZDCISA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000878848824 1210467467 /nfs/dbraw/zinc/46/74/67/1210467467.db2.gz CVNIKVSEYREGNR-WBVHZDCISA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000879356046 1210479186 /nfs/dbraw/zinc/47/91/86/1210479186.db2.gz XGIBTKYOYWPLSP-SFHVURJKSA-N 2 2 370.494 0.064 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000879356046 1210479188 /nfs/dbraw/zinc/47/91/88/1210479188.db2.gz XGIBTKYOYWPLSP-SFHVURJKSA-N 2 2 370.494 0.064 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879576218 1210488676 /nfs/dbraw/zinc/48/86/76/1210488676.db2.gz AIXIMGLMBICZMS-IKGGRYGDSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879576218 1210488683 /nfs/dbraw/zinc/48/86/83/1210488683.db2.gz AIXIMGLMBICZMS-IKGGRYGDSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879576218 1210488684 /nfs/dbraw/zinc/48/86/84/1210488684.db2.gz AIXIMGLMBICZMS-IKGGRYGDSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576218 1210488693 /nfs/dbraw/zinc/48/86/93/1210488693.db2.gz AIXIMGLMBICZMS-IKGGRYGDSA-N 2 2 358.490 0.540 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000879593045 1210491126 /nfs/dbraw/zinc/49/11/26/1210491126.db2.gz UAAWQALHKGRVIW-UHFFFAOYSA-N 3 2 365.566 0.687 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001221091555 1225218243 /nfs/dbraw/zinc/21/82/43/1225218243.db2.gz QPKRNPKOYQBALH-CABCVRRESA-N 2 2 363.462 0.061 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001221091555 1225218248 /nfs/dbraw/zinc/21/82/48/1225218248.db2.gz QPKRNPKOYQBALH-CABCVRRESA-N 2 2 363.462 0.061 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001221091555 1225218254 /nfs/dbraw/zinc/21/82/54/1225218254.db2.gz QPKRNPKOYQBALH-CABCVRRESA-N 2 2 363.462 0.061 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001221091555 1225218263 /nfs/dbraw/zinc/21/82/63/1225218263.db2.gz QPKRNPKOYQBALH-CABCVRRESA-N 2 2 363.462 0.061 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095647 1225221227 /nfs/dbraw/zinc/22/12/27/1225221227.db2.gz HGSIZKAWGHRNRH-RYRKJORJSA-N 2 2 358.442 0.947 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095647 1225221229 /nfs/dbraw/zinc/22/12/29/1225221229.db2.gz HGSIZKAWGHRNRH-RYRKJORJSA-N 2 2 358.442 0.947 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001221091306 1225217894 /nfs/dbraw/zinc/21/78/94/1225217894.db2.gz JWFOFYWWANYZRA-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001221091306 1225217901 /nfs/dbraw/zinc/21/79/01/1225217901.db2.gz JWFOFYWWANYZRA-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001221091306 1225217908 /nfs/dbraw/zinc/21/79/08/1225217908.db2.gz JWFOFYWWANYZRA-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001221091306 1225217918 /nfs/dbraw/zinc/21/79/18/1225217918.db2.gz JWFOFYWWANYZRA-CVEARBPZSA-N 2 2 363.458 0.459 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NCC1(c3ccccn3)CC[NH2+]CC1)C[NH2+]C2 ZINC001221112085 1225226934 /nfs/dbraw/zinc/22/69/34/1225226934.db2.gz HJBUOWMMQMJVMK-CQSZACIVSA-N 2 2 369.473 0.317 20 0 FCADLP COC(=O)[C@@H]1C[C@H](C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001221114322 1225227449 /nfs/dbraw/zinc/22/74/49/1225227449.db2.gz VNVKXKPZNTZOBO-CABCVRRESA-N 2 2 360.458 0.360 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883346651 1210663357 /nfs/dbraw/zinc/66/33/57/1210663357.db2.gz DTKCEXSSCIGSFI-SJLPKXTDSA-N 2 2 367.538 0.565 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCCC[NH+]1CCCC1 ZINC000800221534 1210713167 /nfs/dbraw/zinc/71/31/67/1210713167.db2.gz VOYSAUVLHJVLTB-KRWDZBQOSA-N 2 2 367.490 0.729 20 0 FCADLP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000884210622 1210723604 /nfs/dbraw/zinc/72/36/04/1210723604.db2.gz FXWIALLUGBTLKR-SFHVURJKSA-N 2 2 373.501 0.818 20 0 FCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884360223 1210731920 /nfs/dbraw/zinc/73/19/20/1210731920.db2.gz XDWBJFPIBSYXHS-CABCVRRESA-N 2 2 359.474 0.752 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884427435 1210734860 /nfs/dbraw/zinc/73/48/60/1210734860.db2.gz VTYZOQPWJZGSLF-NVXWUHKLSA-N 2 2 360.458 0.189 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)[nH+]c12 ZINC000884492239 1210739182 /nfs/dbraw/zinc/73/91/82/1210739182.db2.gz PWAABKKWHISHSM-CVEARBPZSA-N 2 2 355.442 0.654 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884528840 1210745193 /nfs/dbraw/zinc/74/51/93/1210745193.db2.gz ZMJYOUJSAPRSFY-OAHLLOKOSA-N 2 2 371.441 0.225 20 0 FCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000884643447 1210771067 /nfs/dbraw/zinc/77/10/67/1210771067.db2.gz HYKDYMKJTFICIU-LSDHHAIUSA-N 2 2 359.474 0.671 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884643559 1210771108 /nfs/dbraw/zinc/77/11/08/1210771108.db2.gz LAFJKNKNDIXZSC-FZKCQIBNSA-N 2 2 357.458 0.423 20 0 FCADLP CC1(C)CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[NH2+]C1 ZINC000884643609 1210771618 /nfs/dbraw/zinc/77/16/18/1210771618.db2.gz MLLHSVUHCXBNDM-HUUCEWRRSA-N 2 2 359.474 0.671 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674518 1210777407 /nfs/dbraw/zinc/77/74/07/1210777407.db2.gz XYFGORGHJSZDFP-ROUUACIJSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000884674518 1210777415 /nfs/dbraw/zinc/77/74/15/1210777415.db2.gz XYFGORGHJSZDFP-ROUUACIJSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000884690039 1210781529 /nfs/dbraw/zinc/78/15/29/1210781529.db2.gz IRJHCTQCIPHWBF-GOSISDBHSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000884690039 1210781537 /nfs/dbraw/zinc/78/15/37/1210781537.db2.gz IRJHCTQCIPHWBF-GOSISDBHSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000884698808 1210783452 /nfs/dbraw/zinc/78/34/52/1210783452.db2.gz SPZHIENQZPCCBG-RDJZCZTQSA-N 2 2 362.474 0.023 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000884698808 1210783456 /nfs/dbraw/zinc/78/34/56/1210783456.db2.gz SPZHIENQZPCCBG-RDJZCZTQSA-N 2 2 362.474 0.023 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc1 ZINC000884715512 1210786006 /nfs/dbraw/zinc/78/60/06/1210786006.db2.gz VZRSMBMLSXJIPG-QGZVFWFLSA-N 2 2 374.485 0.310 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc1 ZINC000884715512 1210786007 /nfs/dbraw/zinc/78/60/07/1210786007.db2.gz VZRSMBMLSXJIPG-QGZVFWFLSA-N 2 2 374.485 0.310 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884717468 1210787730 /nfs/dbraw/zinc/78/77/30/1210787730.db2.gz BSHSRUXWBOOPGL-PVAVHDDUSA-N 2 2 355.442 0.855 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884775022 1210793478 /nfs/dbraw/zinc/79/34/78/1210793478.db2.gz WOHHGTZCJUAZAX-OAGGEKHMSA-N 2 2 366.506 0.345 20 0 FCADLP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)[NH2+]C1 ZINC000884876426 1210802186 /nfs/dbraw/zinc/80/21/86/1210802186.db2.gz BDXIEROUUDHINO-CVEARBPZSA-N 2 2 366.506 0.204 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000885020686 1210809343 /nfs/dbraw/zinc/80/93/43/1210809343.db2.gz NHJCHGZNPOMZBP-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000885020686 1210809346 /nfs/dbraw/zinc/80/93/46/1210809346.db2.gz NHJCHGZNPOMZBP-FUHWJXTLSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000885020684 1210809390 /nfs/dbraw/zinc/80/93/90/1210809390.db2.gz NHJCHGZNPOMZBP-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000885020684 1210809394 /nfs/dbraw/zinc/80/93/94/1210809394.db2.gz NHJCHGZNPOMZBP-AEFFLSMTSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000885020229 1210809538 /nfs/dbraw/zinc/80/95/38/1210809538.db2.gz GJFKUNCFALGGIS-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000885020229 1210809539 /nfs/dbraw/zinc/80/95/39/1210809539.db2.gz GJFKUNCFALGGIS-ROUUACIJSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)C2)cc1 ZINC000885021327 1210809779 /nfs/dbraw/zinc/80/97/79/1210809779.db2.gz YUUXXASYLPUIIH-CGTJXYLNSA-N 2 2 374.485 0.260 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)C2)cc1 ZINC000885021327 1210809780 /nfs/dbraw/zinc/80/97/80/1210809780.db2.gz YUUXXASYLPUIIH-CGTJXYLNSA-N 2 2 374.485 0.260 20 0 FCADLP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885228597 1210816186 /nfs/dbraw/zinc/81/61/86/1210816186.db2.gz XFIRGSVBJZNLOG-NVXWUHKLSA-N 2 2 355.442 0.809 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000885227697 1210816475 /nfs/dbraw/zinc/81/64/75/1210816475.db2.gz LJFRSJWSTVJXRO-UXLLHSPISA-N 2 2 355.442 0.949 20 0 FCADLP O=C1C[C@@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)CN1CC[NH+]1CCOCC1 ZINC000885993017 1210822457 /nfs/dbraw/zinc/82/24/57/1210822457.db2.gz WMIGQZMBMNAHCJ-DLBZAZTESA-N 2 2 367.490 0.237 20 0 FCADLP O=C(CC[N@@H+]1CCCn2nncc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000886455512 1210831029 /nfs/dbraw/zinc/83/10/29/1210831029.db2.gz QUYUNUGRSIGMKV-UHFFFAOYSA-N 2 2 355.446 0.618 20 0 FCADLP O=C(CC[N@H+]1CCCn2nncc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000886455512 1210831030 /nfs/dbraw/zinc/83/10/30/1210831030.db2.gz QUYUNUGRSIGMKV-UHFFFAOYSA-N 2 2 355.446 0.618 20 0 FCADLP COC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000886863765 1210838410 /nfs/dbraw/zinc/83/84/10/1210838410.db2.gz RNSLYNJZTRDFRG-HNNXBMFYSA-N 2 2 361.446 0.551 20 0 FCADLP COC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000886863765 1210838411 /nfs/dbraw/zinc/83/84/11/1210838411.db2.gz RNSLYNJZTRDFRG-HNNXBMFYSA-N 2 2 361.446 0.551 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872186 1210838711 /nfs/dbraw/zinc/83/87/11/1210838711.db2.gz LSBIXSYDYHNXMM-QUCCMNQESA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872186 1210838713 /nfs/dbraw/zinc/83/87/13/1210838713.db2.gz LSBIXSYDYHNXMM-QUCCMNQESA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872186 1210838715 /nfs/dbraw/zinc/83/87/15/1210838715.db2.gz LSBIXSYDYHNXMM-QUCCMNQESA-N 3 2 366.550 0.925 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886872186 1210838719 /nfs/dbraw/zinc/83/87/19/1210838719.db2.gz LSBIXSYDYHNXMM-QUCCMNQESA-N 3 2 366.550 0.925 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000887080574 1210845863 /nfs/dbraw/zinc/84/58/63/1210845863.db2.gz ANYCUAOLSJYONZ-BEFAXECRSA-N 2 2 359.474 0.728 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)[C@@H](O)C2)cn1 ZINC001221163293 1225247985 /nfs/dbraw/zinc/24/79/85/1225247985.db2.gz YNXKWUDHSYTKFB-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)[C@@H](O)C2)cn1 ZINC001221163293 1225247995 /nfs/dbraw/zinc/24/79/95/1225247995.db2.gz YNXKWUDHSYTKFB-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)Cc3ccccc3)[C@@H](O)C2)cn1 ZINC001221163293 1225248000 /nfs/dbraw/zinc/24/80/00/1225248000.db2.gz YNXKWUDHSYTKFB-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1cc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](O)C2)cn1 ZINC001221163293 1225248007 /nfs/dbraw/zinc/24/80/07/1225248007.db2.gz YNXKWUDHSYTKFB-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP CN(C)C(=O)[C@@H]1CN(C(=O)C2(C)CC[NH+](C)CC2)C[C@H]1c1cn(C)c[nH+]1 ZINC001274084154 1210876072 /nfs/dbraw/zinc/87/60/72/1210876072.db2.gz RHIRYBAXTNDNJS-HUUCEWRRSA-N 2 2 361.490 0.782 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001221161298 1225246690 /nfs/dbraw/zinc/24/66/90/1225246690.db2.gz GCTQPYYSVMLVGF-SJORKVTESA-N 2 2 360.462 0.338 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001221161298 1225246694 /nfs/dbraw/zinc/24/66/94/1225246694.db2.gz GCTQPYYSVMLVGF-SJORKVTESA-N 2 2 360.462 0.338 20 0 FCADLP CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274202564 1210910314 /nfs/dbraw/zinc/91/03/14/1210910314.db2.gz GASSMOQUACLGSD-UHFFFAOYSA-N 2 2 361.490 0.394 20 0 FCADLP CCn1ccnc1C[N@H+]1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001274202564 1210910318 /nfs/dbraw/zinc/91/03/18/1210910318.db2.gz GASSMOQUACLGSD-UHFFFAOYSA-N 2 2 361.490 0.394 20 0 FCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000890073817 1210962786 /nfs/dbraw/zinc/96/27/86/1210962786.db2.gz SWCFJIUNQXSBHY-CYBMUJFWSA-N 2 2 358.450 0.289 20 0 FCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000890073817 1210962791 /nfs/dbraw/zinc/96/27/91/1210962791.db2.gz SWCFJIUNQXSBHY-CYBMUJFWSA-N 2 2 358.450 0.289 20 0 FCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000890073818 1210962942 /nfs/dbraw/zinc/96/29/42/1210962942.db2.gz SWCFJIUNQXSBHY-ZDUSSCGKSA-N 2 2 358.450 0.289 20 0 FCADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000890073818 1210962945 /nfs/dbraw/zinc/96/29/45/1210962945.db2.gz SWCFJIUNQXSBHY-ZDUSSCGKSA-N 2 2 358.450 0.289 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000890141840 1210969353 /nfs/dbraw/zinc/96/93/53/1210969353.db2.gz QKDNHZKLEXDYRL-KRWDZBQOSA-N 2 2 365.522 0.273 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000890141840 1210969355 /nfs/dbraw/zinc/96/93/55/1210969355.db2.gz QKDNHZKLEXDYRL-KRWDZBQOSA-N 2 2 365.522 0.273 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1C ZINC000890162961 1210970547 /nfs/dbraw/zinc/97/05/47/1210970547.db2.gz ULIHYZFQDHANDF-OAHLLOKOSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1C ZINC000890162961 1210970551 /nfs/dbraw/zinc/97/05/51/1210970551.db2.gz ULIHYZFQDHANDF-OAHLLOKOSA-N 2 2 359.474 0.922 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715963 1210985195 /nfs/dbraw/zinc/98/51/95/1210985195.db2.gz CZILEPQPWFCJMH-HNNXBMFYSA-N 2 2 361.490 0.682 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715963 1210985197 /nfs/dbraw/zinc/98/51/97/1210985197.db2.gz CZILEPQPWFCJMH-HNNXBMFYSA-N 2 2 361.490 0.682 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001274397916 1211044313 /nfs/dbraw/zinc/04/43/13/1211044313.db2.gz VZJVKMKYXUUXNO-KSZLIROESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001274397916 1211044318 /nfs/dbraw/zinc/04/43/18/1211044318.db2.gz VZJVKMKYXUUXNO-KSZLIROESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274466291 1211060369 /nfs/dbraw/zinc/06/03/69/1211060369.db2.gz XKPKJAWDTNCLEN-ULQDDVLXSA-N 2 2 361.490 0.668 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274466291 1211060372 /nfs/dbraw/zinc/06/03/72/1211060372.db2.gz XKPKJAWDTNCLEN-ULQDDVLXSA-N 2 2 361.490 0.668 20 0 FCADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001274908310 1211142117 /nfs/dbraw/zinc/14/21/17/1211142117.db2.gz KAADFXHMVPRMHJ-HOTGVXAUSA-N 2 2 360.458 0.277 20 0 FCADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001274908310 1211142119 /nfs/dbraw/zinc/14/21/19/1211142119.db2.gz KAADFXHMVPRMHJ-HOTGVXAUSA-N 2 2 360.458 0.277 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171909 1211188820 /nfs/dbraw/zinc/18/88/20/1211188820.db2.gz OGXNVFUCECURIO-BBWFWOEESA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171909 1211188823 /nfs/dbraw/zinc/18/88/23/1211188823.db2.gz OGXNVFUCECURIO-BBWFWOEESA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001275171909 1211188827 /nfs/dbraw/zinc/18/88/27/1211188827.db2.gz OGXNVFUCECURIO-BBWFWOEESA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001275171909 1211188831 /nfs/dbraw/zinc/18/88/31/1211188831.db2.gz OGXNVFUCECURIO-BBWFWOEESA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171910 1211188915 /nfs/dbraw/zinc/18/89/15/1211188915.db2.gz OGXNVFUCECURIO-IXDOHACOSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(=O)[nH]1 ZINC001275171910 1211188919 /nfs/dbraw/zinc/18/89/19/1211188919.db2.gz OGXNVFUCECURIO-IXDOHACOSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001275171910 1211188921 /nfs/dbraw/zinc/18/89/21/1211188921.db2.gz OGXNVFUCECURIO-IXDOHACOSA-N 2 2 359.474 0.208 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001275171910 1211188924 /nfs/dbraw/zinc/18/89/24/1211188924.db2.gz OGXNVFUCECURIO-IXDOHACOSA-N 2 2 359.474 0.208 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178084 1211190633 /nfs/dbraw/zinc/19/06/33/1211190633.db2.gz USEUMGSRNVKAMO-JQHSSLGASA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178084 1211190636 /nfs/dbraw/zinc/19/06/36/1211190636.db2.gz USEUMGSRNVKAMO-JQHSSLGASA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178084 1211190638 /nfs/dbraw/zinc/19/06/38/1211190638.db2.gz USEUMGSRNVKAMO-JQHSSLGASA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178084 1211190643 /nfs/dbraw/zinc/19/06/43/1211190643.db2.gz USEUMGSRNVKAMO-JQHSSLGASA-N 2 2 360.506 0.007 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275262011 1211204919 /nfs/dbraw/zinc/20/49/19/1211204919.db2.gz VWJBBWSTQSQGCD-GOSISDBHSA-N 2 2 356.430 0.843 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@]3(CCN(Cc4c[nH+]cn4C)C3=O)C2)n1 ZINC001275262011 1211204923 /nfs/dbraw/zinc/20/49/23/1211204923.db2.gz VWJBBWSTQSQGCD-GOSISDBHSA-N 2 2 356.430 0.843 20 0 FCADLP Cc1nc[nH]c1C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275289501 1211209559 /nfs/dbraw/zinc/20/95/59/1211209559.db2.gz RDCHYBJUEKSZKK-SFHVURJKSA-N 2 2 356.430 0.956 20 0 FCADLP Cc1nc[nH]c1C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275289501 1211209563 /nfs/dbraw/zinc/20/95/63/1211209563.db2.gz RDCHYBJUEKSZKK-SFHVURJKSA-N 2 2 356.430 0.956 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343517 1211218815 /nfs/dbraw/zinc/21/88/15/1211218815.db2.gz ONBJWLDSUSRTBV-FQEVSTJZSA-N 3 2 366.550 0.975 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001275343517 1211218817 /nfs/dbraw/zinc/21/88/17/1211218817.db2.gz ONBJWLDSUSRTBV-FQEVSTJZSA-N 3 2 366.550 0.975 20 0 FCADLP Cn1cnc(C[N@@H+]2CCC[C@@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)c1 ZINC001275362883 1211223018 /nfs/dbraw/zinc/22/30/18/1211223018.db2.gz MXGZBTQANKZXBE-GOSISDBHSA-N 2 2 356.430 0.695 20 0 FCADLP Cn1cnc(C[N@H+]2CCC[C@@]3(CC(=O)N(Cc4c[nH+]cn4C)C3=O)C2)c1 ZINC001275362883 1211223020 /nfs/dbraw/zinc/22/30/20/1211223020.db2.gz MXGZBTQANKZXBE-GOSISDBHSA-N 2 2 356.430 0.695 20 0 FCADLP CNC(=O)C(C)(C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001275455889 1211242149 /nfs/dbraw/zinc/24/21/49/1211242149.db2.gz RTNGOMMKVQFXDX-AWEZNQCLSA-N 2 2 359.474 0.737 20 0 FCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(C[C@@H]2C(=O)NC[C@@H]2CCC(=O)N2)CC1 ZINC001275456257 1211242742 /nfs/dbraw/zinc/24/27/42/1211242742.db2.gz YBWWVINQGOVBSP-LSDHHAIUSA-N 2 2 357.458 0.491 20 0 FCADLP COC[C@@H](C(=O)OC)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001275456224 1211242898 /nfs/dbraw/zinc/24/28/98/1211242898.db2.gz WOHJFAUGMRUOMU-OAGGEKHMSA-N 2 2 362.430 0.247 20 0 FCADLP COC(C[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O)OC ZINC001275493954 1211250569 /nfs/dbraw/zinc/25/05/69/1211250569.db2.gz QTXRLWUZLUPESZ-LJQANCHMSA-N 2 2 368.522 0.310 20 0 FCADLP COC(C[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O)OC ZINC001275493954 1211250572 /nfs/dbraw/zinc/25/05/72/1211250572.db2.gz QTXRLWUZLUPESZ-LJQANCHMSA-N 2 2 368.522 0.310 20 0 FCADLP C[NH+]1CCC(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)CC1 ZINC001275556903 1211256595 /nfs/dbraw/zinc/25/65/95/1211256595.db2.gz QBTRLVJAFCRYFQ-IBGZPJMESA-N 3 2 361.490 0.528 20 0 FCADLP C[NH+]1CCC(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)CC1 ZINC001275556903 1211256596 /nfs/dbraw/zinc/25/65/96/1211256596.db2.gz QBTRLVJAFCRYFQ-IBGZPJMESA-N 3 2 361.490 0.528 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCCOC1)C2 ZINC001275743772 1211279941 /nfs/dbraw/zinc/27/99/41/1211279941.db2.gz XLKVFZOKKFJEAK-APWZRJJASA-N 2 2 362.474 0.898 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCCOC1)C2 ZINC001275743772 1211279945 /nfs/dbraw/zinc/27/99/45/1211279945.db2.gz XLKVFZOKKFJEAK-APWZRJJASA-N 2 2 362.474 0.898 20 0 FCADLP Cn1cncc1CN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001275750569 1211280753 /nfs/dbraw/zinc/28/07/53/1211280753.db2.gz LQFLZLXZOFPISR-UHFFFAOYSA-N 2 2 361.490 0.565 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095429267 1211334613 /nfs/dbraw/zinc/33/46/13/1211334613.db2.gz OAYDRIHWBVLYKP-JLSDUUJJSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095429267 1211334614 /nfs/dbraw/zinc/33/46/14/1211334614.db2.gz OAYDRIHWBVLYKP-JLSDUUJJSA-N 2 2 371.489 0.714 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001221256549 1225281917 /nfs/dbraw/zinc/28/19/17/1225281917.db2.gz BVZQXNRCNXNQML-HOTGVXAUSA-N 2 2 360.414 0.286 20 0 FCADLP O=C(C[NH+]1CCC1)N1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001276185739 1211376560 /nfs/dbraw/zinc/37/65/60/1211376560.db2.gz NBZOJHNXRDPROU-HQSKLWIPSA-N 2 2 360.502 0.815 20 0 FCADLP C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693639 1211477267 /nfs/dbraw/zinc/47/72/67/1211477267.db2.gz FHTNUEGRLYZOJH-PVAVHDDUSA-N 2 2 360.458 0.758 20 0 FCADLP C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924693639 1211477268 /nfs/dbraw/zinc/47/72/68/1211477268.db2.gz FHTNUEGRLYZOJH-PVAVHDDUSA-N 2 2 360.458 0.758 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cnnn1C ZINC000925396400 1211499090 /nfs/dbraw/zinc/49/90/90/1211499090.db2.gz LWFNNVWDTLDWKG-HUUCEWRRSA-N 2 2 372.477 0.761 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567751 1211503288 /nfs/dbraw/zinc/50/32/88/1211503288.db2.gz SNJOSKZCDPKYQS-NWDGAFQWSA-N 2 2 373.379 0.694 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC000777567751 1211503290 /nfs/dbraw/zinc/50/32/90/1211503290.db2.gz SNJOSKZCDPKYQS-NWDGAFQWSA-N 2 2 373.379 0.694 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000925598223 1211504192 /nfs/dbraw/zinc/50/41/92/1211504192.db2.gz JYLKBPKEVKCDLH-QZTJIDSGSA-N 2 2 368.522 0.851 20 0 FCADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3C(=O)NCC34CCOCC4)[nH+]c2)C1 ZINC000925938499 1211510494 /nfs/dbraw/zinc/51/04/94/1211510494.db2.gz ZHUYCYWOLLLGEY-NVXWUHKLSA-N 2 2 359.474 0.929 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H](CC[NH3+])C3)CC2)c1 ZINC000926284744 1211526022 /nfs/dbraw/zinc/52/60/22/1211526022.db2.gz GCLRCEMOYYXPIG-KRWDZBQOSA-N 2 2 358.486 0.837 20 0 FCADLP CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000926748681 1211555054 /nfs/dbraw/zinc/55/50/54/1211555054.db2.gz IAPSHJZMBVZFPI-CABCVRRESA-N 2 2 370.494 0.552 20 0 FCADLP CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000926748681 1211555058 /nfs/dbraw/zinc/55/50/58/1211555058.db2.gz IAPSHJZMBVZFPI-CABCVRRESA-N 2 2 370.494 0.552 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927636852 1211577975 /nfs/dbraw/zinc/57/79/75/1211577975.db2.gz LCYAKPBQBKAESP-NJAFHUGGSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927636852 1211577976 /nfs/dbraw/zinc/57/79/76/1211577976.db2.gz LCYAKPBQBKAESP-NJAFHUGGSA-N 2 2 366.506 0.744 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949133 1211610627 /nfs/dbraw/zinc/61/06/27/1211610627.db2.gz ZGCJKVPAAADSIK-AHCXZYCDSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949133 1211610629 /nfs/dbraw/zinc/61/06/29/1211610629.db2.gz ZGCJKVPAAADSIK-AHCXZYCDSA-N 2 2 373.501 0.954 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954191 1211613894 /nfs/dbraw/zinc/61/38/94/1211613894.db2.gz MJKPTXSPLBGWHY-ZACQAIPSSA-N 2 2 362.518 0.918 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954191 1211613898 /nfs/dbraw/zinc/61/38/98/1211613898.db2.gz MJKPTXSPLBGWHY-ZACQAIPSSA-N 2 2 362.518 0.918 20 0 FCADLP C[NH+](C)[C@@H]1[C@H]2CN(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)C[C@H]21 ZINC000931283350 1211749557 /nfs/dbraw/zinc/74/95/57/1211749557.db2.gz UXNAUSCUYLCLMK-KXTWHKPSSA-N 2 2 372.513 0.627 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000931347485 1211751820 /nfs/dbraw/zinc/75/18/20/1211751820.db2.gz ULGARQRTTSNGID-GOSISDBHSA-N 2 2 359.518 0.794 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433493 1211756710 /nfs/dbraw/zinc/75/67/10/1211756710.db2.gz AQASPLQFNLQTDE-JKSUJKDBSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433493 1211756712 /nfs/dbraw/zinc/75/67/12/1211756712.db2.gz AQASPLQFNLQTDE-JKSUJKDBSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433493 1211756713 /nfs/dbraw/zinc/75/67/13/1211756713.db2.gz AQASPLQFNLQTDE-JKSUJKDBSA-N 2 2 374.485 0.942 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433493 1211756717 /nfs/dbraw/zinc/75/67/17/1211756717.db2.gz AQASPLQFNLQTDE-JKSUJKDBSA-N 2 2 374.485 0.942 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000931605610 1211763166 /nfs/dbraw/zinc/76/31/66/1211763166.db2.gz WEUFNLJKUSMLEV-UHFFFAOYSA-N 2 2 356.430 0.893 20 0 FCADLP CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000931664298 1211769629 /nfs/dbraw/zinc/76/96/29/1211769629.db2.gz ZQXDYAKDGZCWTG-QGZVFWFLSA-N 2 2 360.458 0.572 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001111017939 1211773870 /nfs/dbraw/zinc/77/38/70/1211773870.db2.gz HFGWIHZQGWSDPX-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001111017939 1211773872 /nfs/dbraw/zinc/77/38/72/1211773872.db2.gz HFGWIHZQGWSDPX-KBXIAJHMSA-N 2 2 367.494 0.284 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021268 1211788290 /nfs/dbraw/zinc/78/82/90/1211788290.db2.gz QQFXGFPPQSMZGN-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111021268 1211788295 /nfs/dbraw/zinc/78/82/95/1211788295.db2.gz QQFXGFPPQSMZGN-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021268 1211788300 /nfs/dbraw/zinc/78/83/00/1211788300.db2.gz QQFXGFPPQSMZGN-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111021268 1211788305 /nfs/dbraw/zinc/78/83/05/1211788305.db2.gz QQFXGFPPQSMZGN-HZMVEIRTSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(CC[N@@H+]1CC[C@H](C2OCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000932007048 1211792373 /nfs/dbraw/zinc/79/23/73/1211792373.db2.gz CCFXBCUUSVYPAZ-INIZCTEOSA-N 2 2 360.458 0.815 20 0 FCADLP O=C(CC[N@H+]1CC[C@H](C2OCCO2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000932007048 1211792375 /nfs/dbraw/zinc/79/23/75/1211792375.db2.gz CCFXBCUUSVYPAZ-INIZCTEOSA-N 2 2 360.458 0.815 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111022740 1211794279 /nfs/dbraw/zinc/79/42/79/1211794279.db2.gz VTRIKNGVBKXNMV-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111022740 1211794281 /nfs/dbraw/zinc/79/42/81/1211794281.db2.gz VTRIKNGVBKXNMV-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111022740 1211794283 /nfs/dbraw/zinc/79/42/83/1211794283.db2.gz VTRIKNGVBKXNMV-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111022740 1211794286 /nfs/dbraw/zinc/79/42/86/1211794286.db2.gz VTRIKNGVBKXNMV-HZMVEIRTSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111040320 1211820300 /nfs/dbraw/zinc/82/03/00/1211820300.db2.gz FXMBADRCLJTNPB-HHARLNAUSA-N 2 2 371.485 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111040320 1211820301 /nfs/dbraw/zinc/82/03/01/1211820301.db2.gz FXMBADRCLJTNPB-HHARLNAUSA-N 2 2 371.485 0.771 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147327 1211900022 /nfs/dbraw/zinc/90/00/22/1211900022.db2.gz VXJCQJIRCAWQIU-VQHPVUNQSA-N 2 2 366.506 0.474 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147327 1211900026 /nfs/dbraw/zinc/90/00/26/1211900026.db2.gz VXJCQJIRCAWQIU-VQHPVUNQSA-N 2 2 366.506 0.474 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000778954525 1211942909 /nfs/dbraw/zinc/94/29/09/1211942909.db2.gz XZYGQUKQFVHQLU-UHFFFAOYSA-N 2 2 360.462 0.776 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000778954525 1211942916 /nfs/dbraw/zinc/94/29/16/1211942916.db2.gz XZYGQUKQFVHQLU-UHFFFAOYSA-N 2 2 360.462 0.776 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC000968604065 1212042517 /nfs/dbraw/zinc/04/25/17/1212042517.db2.gz AIJOSSFQEVDFSY-ZACQAIPSSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC000968604065 1212042524 /nfs/dbraw/zinc/04/25/24/1212042524.db2.gz AIJOSSFQEVDFSY-ZACQAIPSSA-N 2 2 371.441 0.349 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC000968605419 1212045752 /nfs/dbraw/zinc/04/57/52/1212045752.db2.gz YBMUJOOIQGHTGO-CVEARBPZSA-N 2 2 368.397 0.070 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC000948541370 1212196963 /nfs/dbraw/zinc/19/69/63/1212196963.db2.gz FAIVMOFNTTVWKU-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3cn(C)nn3)CC2)O1 ZINC000948541370 1212196966 /nfs/dbraw/zinc/19/69/66/1212196966.db2.gz FAIVMOFNTTVWKU-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3cn(C)nn3)CC2)O1 ZINC000948541370 1212196969 /nfs/dbraw/zinc/19/69/69/1212196969.db2.gz FAIVMOFNTTVWKU-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cn(C)nn3)CC2)O1 ZINC000948541370 1212196972 /nfs/dbraw/zinc/19/69/72/1212196972.db2.gz FAIVMOFNTTVWKU-HYVNUMGLSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3noc4c3CCCC4)C2)O1 ZINC000969071935 1212255046 /nfs/dbraw/zinc/25/50/46/1212255046.db2.gz NVCATCDDZDMLSE-HBUWYVDXSA-N 2 2 362.474 0.963 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3noc4c3CCCC4)C2)O1 ZINC000969071935 1212255052 /nfs/dbraw/zinc/25/50/52/1212255052.db2.gz NVCATCDDZDMLSE-HBUWYVDXSA-N 2 2 362.474 0.963 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)n1cc[nH+]c1 ZINC000949087848 1212288649 /nfs/dbraw/zinc/28/86/49/1212288649.db2.gz VXJYYSLLDBOHBS-BZUAXINKSA-N 2 2 359.474 0.893 20 0 FCADLP 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FCADLP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)CC[N@H+]1C ZINC001011209115 1213849949 /nfs/dbraw/zinc/84/99/49/1213849949.db2.gz HGRVPBFEKKGASH-HLLBOEOZSA-N 2 2 359.474 0.457 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC001011210648 1213851286 /nfs/dbraw/zinc/85/12/86/1213851286.db2.gz CWKKQAAOMQBXEI-DLBZAZTESA-N 2 2 361.490 0.754 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC001011210648 1213851289 /nfs/dbraw/zinc/85/12/89/1213851289.db2.gz CWKKQAAOMQBXEI-DLBZAZTESA-N 2 2 361.490 0.754 20 0 FCADLP Cc1nccnc1C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960717137 1213905481 /nfs/dbraw/zinc/90/54/81/1213905481.db2.gz KWOBUEZJYKQUET-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960717137 1213905485 /nfs/dbraw/zinc/90/54/85/1213905485.db2.gz KWOBUEZJYKQUET-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960717137 1213905491 /nfs/dbraw/zinc/90/54/91/1213905491.db2.gz KWOBUEZJYKQUET-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nccnc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960717137 1213905493 /nfs/dbraw/zinc/90/54/93/1213905493.db2.gz KWOBUEZJYKQUET-UWWQBHOKSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1nn(C)cc1C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960722210 1213909810 /nfs/dbraw/zinc/90/98/10/1213909810.db2.gz ZGONYRDFIWVIQG-ZTFGCOKTSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1nn(C)cc1C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960722210 1213909811 /nfs/dbraw/zinc/90/98/11/1213909811.db2.gz ZGONYRDFIWVIQG-ZTFGCOKTSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1nn(C)cc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960722210 1213909814 /nfs/dbraw/zinc/90/98/14/1213909814.db2.gz ZGONYRDFIWVIQG-ZTFGCOKTSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1nn(C)cc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960722210 1213909819 /nfs/dbraw/zinc/90/98/19/1213909819.db2.gz ZGONYRDFIWVIQG-ZTFGCOKTSA-N 2 2 363.506 0.870 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cn2cc[nH+]c2)CC3)CC[N@@H+]1C ZINC001014306410 1213937362 /nfs/dbraw/zinc/93/73/62/1213937362.db2.gz QHZXRBBTWPZFCI-JEWRLFTDSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)Cn2cc[nH+]c2)CC3)CC[N@H+]1C ZINC001014306410 1213937369 /nfs/dbraw/zinc/93/73/69/1213937369.db2.gz QHZXRBBTWPZFCI-JEWRLFTDSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919003 1213976829 /nfs/dbraw/zinc/97/68/29/1213976829.db2.gz DICCDRUSEGNHJE-RPVQJOFSSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919003 1213976836 /nfs/dbraw/zinc/97/68/36/1213976836.db2.gz DICCDRUSEGNHJE-RPVQJOFSSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919003 1213976841 /nfs/dbraw/zinc/97/68/41/1213976841.db2.gz DICCDRUSEGNHJE-RPVQJOFSSA-N 2 2 365.449 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(CO)ccc3F)C2)O1 ZINC001014919003 1213976847 /nfs/dbraw/zinc/97/68/47/1213976847.db2.gz DICCDRUSEGNHJE-RPVQJOFSSA-N 2 2 365.449 0.728 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001276825478 1225496286 /nfs/dbraw/zinc/49/62/86/1225496286.db2.gz UIFOVXZZROBOPL-VQIMIIECSA-N 2 2 364.490 0.878 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H](O)C(C)(C)C)C2 ZINC001276825478 1225496290 /nfs/dbraw/zinc/49/62/90/1225496290.db2.gz UIFOVXZZROBOPL-VQIMIIECSA-N 2 2 364.490 0.878 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ncccn3)C2)O1 ZINC001017153779 1214076592 /nfs/dbraw/zinc/07/65/92/1214076592.db2.gz RKVXGYMSZPEAIQ-IXDOHACOSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ncccn3)C2)O1 ZINC001017153779 1214076598 /nfs/dbraw/zinc/07/65/98/1214076598.db2.gz RKVXGYMSZPEAIQ-IXDOHACOSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ncccn3)C2)O1 ZINC001017153779 1214076602 /nfs/dbraw/zinc/07/66/02/1214076602.db2.gz RKVXGYMSZPEAIQ-IXDOHACOSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ncccn3)C2)O1 ZINC001017153779 1214076609 /nfs/dbraw/zinc/07/66/09/1214076609.db2.gz RKVXGYMSZPEAIQ-IXDOHACOSA-N 2 2 361.490 0.866 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH+]cn3C)CC2)CC[N@@H+]1C ZINC001017486993 1214102311 /nfs/dbraw/zinc/10/23/11/1214102311.db2.gz DMVAMEYQHMARTI-RHSMWYFYSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2=CCN(C(=O)Cc3c[nH+]cn3C)CC2)CC[N@H+]1C ZINC001017486993 1214102314 /nfs/dbraw/zinc/10/23/14/1214102314.db2.gz DMVAMEYQHMARTI-RHSMWYFYSA-N 2 2 359.474 0.578 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001017545840 1214115429 /nfs/dbraw/zinc/11/54/29/1214115429.db2.gz PCGQGYWDEJAUGF-HZPDHXFCSA-N 2 2 357.458 0.884 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000961666187 1214262952 /nfs/dbraw/zinc/26/29/52/1214262952.db2.gz GRDRURUFPKPPAI-LVQVYYBASA-N 2 2 359.474 0.518 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000961666187 1214262960 /nfs/dbraw/zinc/26/29/60/1214262960.db2.gz GRDRURUFPKPPAI-LVQVYYBASA-N 2 2 359.474 0.518 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000961831723 1214321737 /nfs/dbraw/zinc/32/17/37/1214321737.db2.gz INOJYZTUAYJHJL-LSPIHWNJSA-N 2 2 370.457 0.894 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000961831723 1214321747 /nfs/dbraw/zinc/32/17/47/1214321747.db2.gz INOJYZTUAYJHJL-LSPIHWNJSA-N 2 2 370.457 0.894 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961834713 1214323631 /nfs/dbraw/zinc/32/36/31/1214323631.db2.gz RFVPLKVRHAMNNG-JLOCXQCDSA-N 2 2 354.458 0.812 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961834713 1214323633 /nfs/dbraw/zinc/32/36/33/1214323633.db2.gz RFVPLKVRHAMNNG-JLOCXQCDSA-N 2 2 354.458 0.812 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC000961838646 1214326610 /nfs/dbraw/zinc/32/66/10/1214326610.db2.gz KTTJJJZOMAWZTQ-NQNKBUKLSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC000961838646 1214326619 /nfs/dbraw/zinc/32/66/19/1214326619.db2.gz KTTJJJZOMAWZTQ-NQNKBUKLSA-N 2 2 371.485 0.914 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221876484 1225518895 /nfs/dbraw/zinc/51/88/95/1225518895.db2.gz DZAZFKOIAGKKQL-HUUCEWRRSA-N 2 2 367.494 0.226 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221876484 1225518899 /nfs/dbraw/zinc/51/88/99/1225518899.db2.gz DZAZFKOIAGKKQL-HUUCEWRRSA-N 2 2 367.494 0.226 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221876484 1225518902 /nfs/dbraw/zinc/51/89/02/1225518902.db2.gz DZAZFKOIAGKKQL-HUUCEWRRSA-N 2 2 367.494 0.226 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001221876484 1225518906 /nfs/dbraw/zinc/51/89/06/1225518906.db2.gz DZAZFKOIAGKKQL-HUUCEWRRSA-N 2 2 367.494 0.226 20 0 FCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001020371753 1214346039 /nfs/dbraw/zinc/34/60/39/1214346039.db2.gz FGKAIYVACOXAFY-XZDPQHSOSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001020371753 1214346045 /nfs/dbraw/zinc/34/60/45/1214346045.db2.gz FGKAIYVACOXAFY-XZDPQHSOSA-N 2 2 359.474 0.961 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001038721010 1214368207 /nfs/dbraw/zinc/36/82/07/1214368207.db2.gz OXIYQDGBJLTFBH-ARFHVFGLSA-N 2 2 355.442 0.613 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001038721010 1214368211 /nfs/dbraw/zinc/36/82/11/1214368211.db2.gz OXIYQDGBJLTFBH-ARFHVFGLSA-N 2 2 355.442 0.613 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC000961990049 1214394162 /nfs/dbraw/zinc/39/41/62/1214394162.db2.gz IVRRYQUHVAWAET-BNQIPGGESA-N 2 2 362.478 0.386 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC000961990049 1214394171 /nfs/dbraw/zinc/39/41/71/1214394171.db2.gz IVRRYQUHVAWAET-BNQIPGGESA-N 2 2 362.478 0.386 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622038 1214417237 /nfs/dbraw/zinc/41/72/37/1214417237.db2.gz GRICSOIORPCOOD-IMJJTQAJSA-N 2 2 370.461 0.582 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039622038 1214417240 /nfs/dbraw/zinc/41/72/40/1214417240.db2.gz GRICSOIORPCOOD-IMJJTQAJSA-N 2 2 370.461 0.582 20 0 FCADLP CNC(=O)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040402714 1214500786 /nfs/dbraw/zinc/50/07/86/1214500786.db2.gz LAXBWQDOZVUNLR-CLCXKQKWSA-N 2 2 359.474 0.584 20 0 FCADLP CNC(=O)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040402714 1214500787 /nfs/dbraw/zinc/50/07/87/1214500787.db2.gz LAXBWQDOZVUNLR-CLCXKQKWSA-N 2 2 359.474 0.584 20 0 FCADLP CNC(=O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040402715 1214501401 /nfs/dbraw/zinc/50/14/01/1214501401.db2.gz LAXBWQDOZVUNLR-SPYBWZPUSA-N 2 2 359.474 0.584 20 0 FCADLP CNC(=O)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040402715 1214501403 /nfs/dbraw/zinc/50/14/03/1214501403.db2.gz LAXBWQDOZVUNLR-SPYBWZPUSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001040636979 1214548220 /nfs/dbraw/zinc/54/82/20/1214548220.db2.gz RDQVHDNRGCNLCR-KCQAQPDRSA-N 2 2 355.446 0.352 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001040636979 1214548230 /nfs/dbraw/zinc/54/82/30/1214548230.db2.gz RDQVHDNRGCNLCR-KCQAQPDRSA-N 2 2 355.446 0.352 20 0 FCADLP Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c(C)c(C)[nH+]1 ZINC001041183699 1214739041 /nfs/dbraw/zinc/73/90/41/1214739041.db2.gz YRBXNHQGAKNMKX-BRWVUGGUSA-N 2 2 359.474 0.409 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221968052 1225556956 /nfs/dbraw/zinc/55/69/56/1225556956.db2.gz FFYCDPUSFYALIG-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221968052 1225556960 /nfs/dbraw/zinc/55/69/60/1225556960.db2.gz FFYCDPUSFYALIG-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963333099 1214797943 /nfs/dbraw/zinc/79/79/43/1214797943.db2.gz JROHYHWDXWDWDV-VQHPVUNQSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963333099 1214797949 /nfs/dbraw/zinc/79/79/49/1214797949.db2.gz JROHYHWDXWDWDV-VQHPVUNQSA-N 2 2 359.474 0.815 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221968052 1225556952 /nfs/dbraw/zinc/55/69/52/1225556952.db2.gz FFYCDPUSFYALIG-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221968052 1225556962 /nfs/dbraw/zinc/55/69/62/1225556962.db2.gz FFYCDPUSFYALIG-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000963605957 1214831452 /nfs/dbraw/zinc/83/14/52/1214831452.db2.gz QKHBCPIDBUMIOC-DZUCGIPZSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000963605957 1214831453 /nfs/dbraw/zinc/83/14/53/1214831453.db2.gz QKHBCPIDBUMIOC-DZUCGIPZSA-N 2 2 359.474 0.884 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221968724 1225556972 /nfs/dbraw/zinc/55/69/72/1225556972.db2.gz XSIDALJBHHFURQ-RRFJBIMHSA-N 2 2 367.494 0.095 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221968724 1225556977 /nfs/dbraw/zinc/55/69/77/1225556977.db2.gz XSIDALJBHHFURQ-RRFJBIMHSA-N 2 2 367.494 0.095 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221968724 1225556980 /nfs/dbraw/zinc/55/69/80/1225556980.db2.gz XSIDALJBHHFURQ-RRFJBIMHSA-N 2 2 367.494 0.095 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]21 ZINC001221968724 1225556982 /nfs/dbraw/zinc/55/69/82/1225556982.db2.gz XSIDALJBHHFURQ-RRFJBIMHSA-N 2 2 367.494 0.095 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCOCC)C[C@H]21 ZINC001221968960 1225557257 /nfs/dbraw/zinc/55/72/57/1225557257.db2.gz JOINKOKZLRHTFZ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NCCOCC)C[C@H]21 ZINC001221968960 1225557263 /nfs/dbraw/zinc/55/72/63/1225557263.db2.gz JOINKOKZLRHTFZ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001221968960 1225557267 /nfs/dbraw/zinc/55/72/67/1225557267.db2.gz JOINKOKZLRHTFZ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCCOCC)C[C@H]21 ZINC001221968960 1225557270 /nfs/dbraw/zinc/55/72/70/1225557270.db2.gz JOINKOKZLRHTFZ-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221979464 1225560316 /nfs/dbraw/zinc/56/03/16/1225560316.db2.gz FHPOSHOJZMBWAT-JFIYKMOQSA-N 2 2 364.490 0.827 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COCC(C)C)C[C@H]21 ZINC001221979464 1225560320 /nfs/dbraw/zinc/56/03/20/1225560320.db2.gz FHPOSHOJZMBWAT-JFIYKMOQSA-N 2 2 364.490 0.827 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000964210343 1214913538 /nfs/dbraw/zinc/91/35/38/1214913538.db2.gz CGRXRQKEJPZTDM-HRCADAONSA-N 2 2 363.462 0.026 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCCN2C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000964210343 1214913540 /nfs/dbraw/zinc/91/35/40/1214913540.db2.gz CGRXRQKEJPZTDM-HRCADAONSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)CC[N@@H+]1C ZINC000967059651 1215196933 /nfs/dbraw/zinc/19/69/33/1215196933.db2.gz ACYBOFGGEMSHET-OAGGEKHMSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)CC[N@H+]1C ZINC000967059651 1215196935 /nfs/dbraw/zinc/19/69/35/1215196935.db2.gz ACYBOFGGEMSHET-OAGGEKHMSA-N 2 2 361.490 0.967 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001000258334 1216027616 /nfs/dbraw/zinc/02/76/16/1216027616.db2.gz DPKCYEQBWUTZKM-BZUAXINKSA-N 2 2 371.485 0.773 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH+]ccn2C)C1 ZINC001000476258 1216068217 /nfs/dbraw/zinc/06/82/17/1216068217.db2.gz MGIABBAALJSLDS-NCOADZHNSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2[nH+]ccn2C)C1 ZINC001000476258 1216068222 /nfs/dbraw/zinc/06/82/22/1216068222.db2.gz MGIABBAALJSLDS-NCOADZHNSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC[N@@H+]1C ZINC001000897366 1216122787 /nfs/dbraw/zinc/12/27/87/1216122787.db2.gz STRXQLNUZKVEIN-HNWLLIRGSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)CC[N@H+]1C ZINC001000897366 1216122788 /nfs/dbraw/zinc/12/27/88/1216122788.db2.gz STRXQLNUZKVEIN-HNWLLIRGSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050525146 1216331113 /nfs/dbraw/zinc/33/11/13/1216331113.db2.gz SQAZSDPIBVPNPG-RBSFLKMASA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050525146 1216331122 /nfs/dbraw/zinc/33/11/22/1216331122.db2.gz SQAZSDPIBVPNPG-RBSFLKMASA-N 2 2 361.494 0.536 20 0 FCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001051663200 1216472810 /nfs/dbraw/zinc/47/28/10/1216472810.db2.gz BMSUSHALHXETCL-BZUAXINKSA-N 2 2 358.446 0.572 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001052359345 1216540210 /nfs/dbraw/zinc/54/02/10/1216540210.db2.gz ANPLFMSJIUUCJL-LPMFXHHGSA-N 2 2 369.473 0.600 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001052359345 1216540216 /nfs/dbraw/zinc/54/02/16/1216540216.db2.gz ANPLFMSJIUUCJL-LPMFXHHGSA-N 2 2 369.473 0.600 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394397 1216547652 /nfs/dbraw/zinc/54/76/52/1216547652.db2.gz XGUONRRFWBVSKU-BZUAXINKSA-N 2 2 363.510 0.894 20 0 FCADLP CCCn1nnnc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394397 1216547654 /nfs/dbraw/zinc/54/76/54/1216547654.db2.gz XGUONRRFWBVSKU-BZUAXINKSA-N 2 2 363.510 0.894 20 0 FCADLP CCCn1nnnc1C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394397 1216547662 /nfs/dbraw/zinc/54/76/62/1216547662.db2.gz XGUONRRFWBVSKU-BZUAXINKSA-N 2 2 363.510 0.894 20 0 FCADLP CCCn1nnnc1C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394397 1216547666 /nfs/dbraw/zinc/54/76/66/1216547666.db2.gz XGUONRRFWBVSKU-BZUAXINKSA-N 2 2 363.510 0.894 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001067541443 1216686576 /nfs/dbraw/zinc/68/65/76/1216686576.db2.gz CUKORQHDWKIUMC-DLBZAZTESA-N 2 2 363.506 1.000 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001067541443 1216686582 /nfs/dbraw/zinc/68/65/82/1216686582.db2.gz CUKORQHDWKIUMC-DLBZAZTESA-N 2 2 363.506 1.000 20 0 FCADLP O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001069838814 1216805104 /nfs/dbraw/zinc/80/51/04/1216805104.db2.gz IWLAWRBROPKMCU-BZUAXINKSA-N 2 2 370.457 0.385 20 0 FCADLP O=C(NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001069838814 1216805107 /nfs/dbraw/zinc/80/51/07/1216805107.db2.gz IWLAWRBROPKMCU-BZUAXINKSA-N 2 2 370.457 0.385 20 0 FCADLP CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930524 1216849913 /nfs/dbraw/zinc/84/99/13/1216849913.db2.gz ORMJMLSQOYVTJC-OAGGEKHMSA-N 2 2 358.450 0.443 20 0 FCADLP CC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930524 1216849917 /nfs/dbraw/zinc/84/99/17/1216849917.db2.gz ORMJMLSQOYVTJC-OAGGEKHMSA-N 2 2 358.450 0.443 20 0 FCADLP CC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930524 1216849918 /nfs/dbraw/zinc/84/99/18/1216849918.db2.gz ORMJMLSQOYVTJC-OAGGEKHMSA-N 2 2 358.450 0.443 20 0 FCADLP CC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069930524 1216849921 /nfs/dbraw/zinc/84/99/21/1216849921.db2.gz ORMJMLSQOYVTJC-OAGGEKHMSA-N 2 2 358.450 0.443 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930562 1216850076 /nfs/dbraw/zinc/85/00/76/1216850076.db2.gz QUGFVQQONYLJAA-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930562 1216850078 /nfs/dbraw/zinc/85/00/78/1216850078.db2.gz QUGFVQQONYLJAA-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930562 1216850080 /nfs/dbraw/zinc/85/00/80/1216850080.db2.gz QUGFVQQONYLJAA-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930562 1216850083 /nfs/dbraw/zinc/85/00/83/1216850083.db2.gz QUGFVQQONYLJAA-DDBAPUKQSA-N 2 2 369.473 0.555 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]ccn21 ZINC001069945598 1216858441 /nfs/dbraw/zinc/85/84/41/1216858441.db2.gz QSJUQFMMNQAQHN-KFWWJZLASA-N 2 2 361.425 0.753 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1)[C@H]1CCCc2[nH+]ccn21 ZINC001069945598 1216858444 /nfs/dbraw/zinc/85/84/44/1216858444.db2.gz QSJUQFMMNQAQHN-KFWWJZLASA-N 2 2 361.425 0.753 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964193 1216870910 /nfs/dbraw/zinc/87/09/10/1216870910.db2.gz ZMHBFEZURSTEGW-XHSDSOJGSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964193 1216870912 /nfs/dbraw/zinc/87/09/12/1216870912.db2.gz ZMHBFEZURSTEGW-XHSDSOJGSA-N 2 2 357.462 0.735 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969459 1216876009 /nfs/dbraw/zinc/87/60/09/1216876009.db2.gz XFRVMJYDIIHLCT-OAGGEKHMSA-N 2 2 364.469 0.996 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969459 1216876010 /nfs/dbraw/zinc/87/60/10/1216876010.db2.gz XFRVMJYDIIHLCT-OAGGEKHMSA-N 2 2 364.469 0.996 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070027052 1216905088 /nfs/dbraw/zinc/90/50/88/1216905088.db2.gz PFLMSEPRRBZNPA-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070027052 1216905093 /nfs/dbraw/zinc/90/50/93/1216905093.db2.gz PFLMSEPRRBZNPA-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070027052 1216905094 /nfs/dbraw/zinc/90/50/94/1216905094.db2.gz PFLMSEPRRBZNPA-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070027052 1216905100 /nfs/dbraw/zinc/90/51/00/1216905100.db2.gz PFLMSEPRRBZNPA-NXHRZFHOSA-N 2 2 369.473 0.699 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028814 1216907761 /nfs/dbraw/zinc/90/77/61/1216907761.db2.gz FQRWVKMDBOJHLM-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028814 1216907768 /nfs/dbraw/zinc/90/77/68/1216907768.db2.gz FQRWVKMDBOJHLM-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028814 1216907773 /nfs/dbraw/zinc/90/77/73/1216907773.db2.gz FQRWVKMDBOJHLM-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070028814 1216907777 /nfs/dbraw/zinc/90/77/77/1216907777.db2.gz FQRWVKMDBOJHLM-NXHRZFHOSA-N 2 2 369.473 0.557 20 0 FCADLP CCOC(=O)CCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276888006 1225703782 /nfs/dbraw/zinc/70/37/82/1225703782.db2.gz MACKBWZZUTTWOH-GOSISDBHSA-N 2 2 364.446 0.530 20 0 FCADLP CCOC(=O)CCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276888006 1225703785 /nfs/dbraw/zinc/70/37/85/1225703785.db2.gz MACKBWZZUTTWOH-GOSISDBHSA-N 2 2 364.446 0.530 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572026 1225716891 /nfs/dbraw/zinc/71/68/91/1225716891.db2.gz BGYRJHDMOKDKMM-ZBFHGGJFSA-N 2 2 363.462 0.028 20 0 FCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572026 1225716892 /nfs/dbraw/zinc/71/68/92/1225716892.db2.gz BGYRJHDMOKDKMM-ZBFHGGJFSA-N 2 2 363.462 0.028 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572397 1225716921 /nfs/dbraw/zinc/71/69/21/1225716921.db2.gz ISKHYJHYTVAMMQ-WBVHZDCISA-N 2 2 359.474 0.743 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572397 1225716924 /nfs/dbraw/zinc/71/69/24/1225716924.db2.gz ISKHYJHYTVAMMQ-WBVHZDCISA-N 2 2 359.474 0.743 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001041403195 1217314323 /nfs/dbraw/zinc/31/43/23/1217314323.db2.gz JAIRHVDHMSPLJN-IXDOHACOSA-N 2 2 361.490 0.942 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001041403195 1217314326 /nfs/dbraw/zinc/31/43/26/1217314326.db2.gz JAIRHVDHMSPLJN-IXDOHACOSA-N 2 2 361.490 0.942 20 0 FCADLP Cc1noc(C[NH+]2CC[C@]3(CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404384 1217315614 /nfs/dbraw/zinc/31/56/14/1217315614.db2.gz SVDAOVPWMVLPFX-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1noc(C[NH+]2CC[C@]3(CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404384 1217315619 /nfs/dbraw/zinc/31/56/19/1217315619.db2.gz SVDAOVPWMVLPFX-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1noc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404384 1217315627 /nfs/dbraw/zinc/31/56/27/1217315627.db2.gz SVDAOVPWMVLPFX-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP Cc1noc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001041404384 1217315637 /nfs/dbraw/zinc/31/56/37/1217315637.db2.gz SVDAOVPWMVLPFX-SIIHOXLZSA-N 2 2 363.462 0.522 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC001041696262 1217355506 /nfs/dbraw/zinc/35/55/06/1217355506.db2.gz MYCIYJAOOPHSFL-MDZRGWNJSA-N 2 2 369.473 0.740 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC001041696262 1217355508 /nfs/dbraw/zinc/35/55/08/1217355508.db2.gz MYCIYJAOOPHSFL-MDZRGWNJSA-N 2 2 369.473 0.740 20 0 FCADLP COC(=O)c1ccnc(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1 ZINC001276923378 1225738396 /nfs/dbraw/zinc/73/83/96/1225738396.db2.gz XNVUFJGHRRYTRQ-LJQANCHMSA-N 2 2 360.458 0.997 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223838367 1225739529 /nfs/dbraw/zinc/73/95/29/1225739529.db2.gz HDSWWZKPHNEBIG-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223838367 1225739532 /nfs/dbraw/zinc/73/95/32/1225739532.db2.gz HDSWWZKPHNEBIG-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223838367 1225739537 /nfs/dbraw/zinc/73/95/37/1225739537.db2.gz HDSWWZKPHNEBIG-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)[C@H]2C1 ZINC001223838367 1225739541 /nfs/dbraw/zinc/73/95/41/1225739541.db2.gz HDSWWZKPHNEBIG-CABCVRRESA-N 2 2 364.494 0.900 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001042505646 1217424806 /nfs/dbraw/zinc/42/48/06/1217424806.db2.gz PLQLHYIMROIVGD-UMVBOHGHSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001042505646 1217424807 /nfs/dbraw/zinc/42/48/07/1217424807.db2.gz PLQLHYIMROIVGD-UMVBOHGHSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001043094947 1217573844 /nfs/dbraw/zinc/57/38/44/1217573844.db2.gz FKBSRXSCYMUCIX-XYPHTWIQSA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001043094947 1217573851 /nfs/dbraw/zinc/57/38/51/1217573851.db2.gz FKBSRXSCYMUCIX-XYPHTWIQSA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043094947 1217573855 /nfs/dbraw/zinc/57/38/55/1217573855.db2.gz FKBSRXSCYMUCIX-XYPHTWIQSA-N 2 2 358.490 0.818 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC001043094947 1217573860 /nfs/dbraw/zinc/57/38/60/1217573860.db2.gz FKBSRXSCYMUCIX-XYPHTWIQSA-N 2 2 358.490 0.818 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C)[nH+]1 ZINC001043358279 1217642115 /nfs/dbraw/zinc/64/21/15/1217642115.db2.gz HPZHYLBCTYCXJN-KCPJHIHWSA-N 2 2 361.494 0.845 20 0 FCADLP CCc1cc(N2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)nc(C)[nH+]1 ZINC001043736392 1217724678 /nfs/dbraw/zinc/72/46/78/1217724678.db2.gz IPNABJZDOHAOES-DLBZAZTESA-N 2 2 371.485 0.859 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044539042 1217853653 /nfs/dbraw/zinc/85/36/53/1217853653.db2.gz WDHYLEYIJLZMJI-IMJJTQAJSA-N 2 2 359.474 0.812 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001044539042 1217853655 /nfs/dbraw/zinc/85/36/55/1217853655.db2.gz WDHYLEYIJLZMJI-IMJJTQAJSA-N 2 2 359.474 0.812 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045090944 1217899227 /nfs/dbraw/zinc/89/92/27/1217899227.db2.gz LGCDEFXDLCKGOZ-VNQPRFMTSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1c(C)nnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045090944 1217899229 /nfs/dbraw/zinc/89/92/29/1217899229.db2.gz LGCDEFXDLCKGOZ-VNQPRFMTSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001045209837 1217911780 /nfs/dbraw/zinc/91/17/80/1217911780.db2.gz OSNVIOJMOZLNES-RRFJBIMHSA-N 2 2 357.462 0.916 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH+](CC(=O)N2CCC2)CC1 ZINC001045562014 1217941162 /nfs/dbraw/zinc/94/11/62/1217941162.db2.gz MOOFTVSPGCECKQ-HUUCEWRRSA-N 2 2 359.474 0.727 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900192324 1217969503 /nfs/dbraw/zinc/96/95/03/1217969503.db2.gz LKIWKTXFJNSGLQ-TZIWHRDSSA-N 2 2 374.529 0.895 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900192324 1217969507 /nfs/dbraw/zinc/96/95/07/1217969507.db2.gz LKIWKTXFJNSGLQ-TZIWHRDSSA-N 2 2 374.529 0.895 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000900600683 1218011204 /nfs/dbraw/zinc/01/12/04/1218011204.db2.gz KEJSJBSFZGVOFU-BRWVUGGUSA-N 2 2 367.490 0.319 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000900600683 1218011206 /nfs/dbraw/zinc/01/12/06/1218011206.db2.gz KEJSJBSFZGVOFU-BRWVUGGUSA-N 2 2 367.490 0.319 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900696780 1218026669 /nfs/dbraw/zinc/02/66/69/1218026669.db2.gz WQVCHEZNPKTCLX-IBGZPJMESA-N 2 2 367.582 0.792 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420416 1218035037 /nfs/dbraw/zinc/03/50/37/1218035037.db2.gz DSNUGHJJGGCLCI-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[N@H+]2CC[C@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420416 1218035040 /nfs/dbraw/zinc/03/50/40/1218035040.db2.gz DSNUGHJJGGCLCI-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420416 1218035044 /nfs/dbraw/zinc/03/50/44/1218035044.db2.gz DSNUGHJJGGCLCI-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP COc1cc(C[NH+]2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ccn1 ZINC001046420416 1218035048 /nfs/dbraw/zinc/03/50/48/1218035048.db2.gz DSNUGHJJGGCLCI-OGWOLHLISA-N 2 2 362.474 0.890 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900983691 1218066306 /nfs/dbraw/zinc/06/63/06/1218066306.db2.gz IXGBMUJMTHUHHS-DAWZGUTISA-N 2 2 369.506 0.029 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001047532395 1218157017 /nfs/dbraw/zinc/15/70/17/1218157017.db2.gz ADMDCQLPVBDJHG-LMSBXDPUSA-N 2 2 362.474 0.454 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047532395 1218157020 /nfs/dbraw/zinc/15/70/20/1218157020.db2.gz ADMDCQLPVBDJHG-LMSBXDPUSA-N 2 2 362.474 0.454 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364114 1218268266 /nfs/dbraw/zinc/26/82/66/1218268266.db2.gz KOUAGCMRNRJEAE-LGWLGOQQSA-N 2 2 359.474 0.959 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364114 1218268273 /nfs/dbraw/zinc/26/82/73/1218268273.db2.gz KOUAGCMRNRJEAE-LGWLGOQQSA-N 2 2 359.474 0.959 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001096364554 1218268544 /nfs/dbraw/zinc/26/85/44/1218268544.db2.gz UPXQQDGFTGVHPJ-XTBFLFJDSA-N 2 2 371.441 0.288 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001096364554 1218268551 /nfs/dbraw/zinc/26/85/51/1218268551.db2.gz UPXQQDGFTGVHPJ-XTBFLFJDSA-N 2 2 371.441 0.288 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001048711166 1218308412 /nfs/dbraw/zinc/30/84/12/1218308412.db2.gz PXPNNMIYVAKMSD-VHDGCEQUSA-N 2 2 357.462 0.789 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001048711166 1218308419 /nfs/dbraw/zinc/30/84/19/1218308419.db2.gz PXPNNMIYVAKMSD-VHDGCEQUSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829810 1218324482 /nfs/dbraw/zinc/32/44/82/1218324482.db2.gz YQUNFEVPNFQXPN-HGTKMLMNSA-N 2 2 359.478 0.238 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nnnn4C4CC4)C[C@@H]3C2)CC[N@H+]1C ZINC001048829810 1218324489 /nfs/dbraw/zinc/32/44/89/1218324489.db2.gz YQUNFEVPNFQXPN-HGTKMLMNSA-N 2 2 359.478 0.238 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829810 1218324497 /nfs/dbraw/zinc/32/44/97/1218324497.db2.gz YQUNFEVPNFQXPN-HGTKMLMNSA-N 2 2 359.478 0.238 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C4CC4)C[C@@H]3C2)CC[NH+]1C ZINC001048829810 1218324500 /nfs/dbraw/zinc/32/45/00/1218324500.db2.gz YQUNFEVPNFQXPN-HGTKMLMNSA-N 2 2 359.478 0.238 20 0 FCADLP O=C1C[C@@]2(CN1C1COC1)COCC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001277043827 1225811670 /nfs/dbraw/zinc/81/16/70/1225811670.db2.gz GMVPLMFRWSYNMF-LJQANCHMSA-N 2 2 356.426 0.784 20 0 FCADLP O=C1C[C@@]2(CN1C1COC1)COCC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001277043827 1225811673 /nfs/dbraw/zinc/81/16/73/1225811673.db2.gz GMVPLMFRWSYNMF-LJQANCHMSA-N 2 2 356.426 0.784 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001096434943 1218331527 /nfs/dbraw/zinc/33/15/27/1218331527.db2.gz PANDHTXKISUZKJ-PVAVHDDUSA-N 2 2 359.474 0.995 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001096434943 1218331532 /nfs/dbraw/zinc/33/15/32/1218331532.db2.gz PANDHTXKISUZKJ-PVAVHDDUSA-N 2 2 359.474 0.995 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872832 1218332246 /nfs/dbraw/zinc/33/22/46/1218332246.db2.gz HMDDVYFEOXOSLI-DMRKSPOLSA-N 2 2 370.457 0.161 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872832 1218332251 /nfs/dbraw/zinc/33/22/51/1218332251.db2.gz HMDDVYFEOXOSLI-DMRKSPOLSA-N 2 2 370.457 0.161 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872832 1218332253 /nfs/dbraw/zinc/33/22/53/1218332253.db2.gz HMDDVYFEOXOSLI-DMRKSPOLSA-N 2 2 370.457 0.161 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048872832 1218332257 /nfs/dbraw/zinc/33/22/57/1218332257.db2.gz HMDDVYFEOXOSLI-DMRKSPOLSA-N 2 2 370.457 0.161 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001096548919 1218477266 /nfs/dbraw/zinc/47/72/66/1218477266.db2.gz QGFUNXHGLVFDCW-ILXRZTDVSA-N 2 2 359.430 0.062 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001096548919 1218477279 /nfs/dbraw/zinc/47/72/79/1218477279.db2.gz QGFUNXHGLVFDCW-ILXRZTDVSA-N 2 2 359.430 0.062 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2cncn2C)O1 ZINC001049547719 1218483939 /nfs/dbraw/zinc/48/39/39/1218483939.db2.gz FOEJGFYEYKCQOY-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2cncn2C)O1 ZINC001049547719 1218483943 /nfs/dbraw/zinc/48/39/43/1218483943.db2.gz FOEJGFYEYKCQOY-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cncn2C)O1 ZINC001049547719 1218483949 /nfs/dbraw/zinc/48/39/49/1218483949.db2.gz FOEJGFYEYKCQOY-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cncn2C)O1 ZINC001049547719 1218483956 /nfs/dbraw/zinc/48/39/56/1218483956.db2.gz FOEJGFYEYKCQOY-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548594 1218485808 /nfs/dbraw/zinc/48/58/08/1218485808.db2.gz KDBBTAQYEWTMCU-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548594 1218485811 /nfs/dbraw/zinc/48/58/11/1218485811.db2.gz KDBBTAQYEWTMCU-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccnn2C)O1 ZINC001049548594 1218485816 /nfs/dbraw/zinc/48/58/16/1218485816.db2.gz KDBBTAQYEWTMCU-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2ccnn2C)O1 ZINC001049548594 1218485821 /nfs/dbraw/zinc/48/58/21/1218485821.db2.gz KDBBTAQYEWTMCU-VDHUWJSZSA-N 2 2 361.490 0.705 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001097430634 1218808285 /nfs/dbraw/zinc/80/82/85/1218808285.db2.gz MJMKHJSFGHOUEE-WCXIOVBPSA-N 2 2 360.502 0.957 20 0 FCADLP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)C1=O ZINC001097430634 1218808287 /nfs/dbraw/zinc/80/82/87/1218808287.db2.gz MJMKHJSFGHOUEE-WCXIOVBPSA-N 2 2 360.502 0.957 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097848919 1218850925 /nfs/dbraw/zinc/85/09/25/1218850925.db2.gz WIFFYCQTRUYENG-HZMVEIRTSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001097848919 1218850928 /nfs/dbraw/zinc/85/09/28/1218850928.db2.gz WIFFYCQTRUYENG-HZMVEIRTSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001097848919 1218850929 /nfs/dbraw/zinc/85/09/29/1218850929.db2.gz WIFFYCQTRUYENG-HZMVEIRTSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001097848919 1218850931 /nfs/dbraw/zinc/85/09/31/1218850931.db2.gz WIFFYCQTRUYENG-HZMVEIRTSA-N 2 2 364.490 0.051 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052725860 1218860960 /nfs/dbraw/zinc/86/09/60/1218860960.db2.gz XABJBSFCEPVLPB-NUEKZKHPSA-N 2 2 359.474 0.773 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001052725860 1218860961 /nfs/dbraw/zinc/86/09/61/1218860961.db2.gz XABJBSFCEPVLPB-NUEKZKHPSA-N 2 2 359.474 0.773 20 0 FCADLP Cc1ccc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)nn1 ZINC001052736478 1218861833 /nfs/dbraw/zinc/86/18/33/1218861833.db2.gz GDMLEFLWQPRTAU-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1ccc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)nn1 ZINC001052736478 1218861835 /nfs/dbraw/zinc/86/18/35/1218861835.db2.gz GDMLEFLWQPRTAU-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)ncn1 ZINC001052736527 1218861959 /nfs/dbraw/zinc/86/19/59/1218861959.db2.gz JJOWNESICWGSIE-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1cc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)ncn1 ZINC001052736527 1218861962 /nfs/dbraw/zinc/86/19/62/1218861962.db2.gz JJOWNESICWGSIE-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226671116 1225851539 /nfs/dbraw/zinc/85/15/39/1225851539.db2.gz HOHBRSAJHLBXNX-HZPDHXFCSA-N 2 2 365.478 0.512 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226671116 1225851540 /nfs/dbraw/zinc/85/15/40/1225851540.db2.gz HOHBRSAJHLBXNX-HZPDHXFCSA-N 2 2 365.478 0.512 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCO)CC1 ZINC001052992952 1218870579 /nfs/dbraw/zinc/87/05/79/1218870579.db2.gz UJWVYPVMMZXHEJ-YSHGAJCASA-N 2 2 365.518 0.933 20 0 FCADLP C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCO)CC1 ZINC001052992952 1218870580 /nfs/dbraw/zinc/87/05/80/1218870580.db2.gz UJWVYPVMMZXHEJ-YSHGAJCASA-N 2 2 365.518 0.933 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001226697008 1225852475 /nfs/dbraw/zinc/85/24/75/1225852475.db2.gz PTMMWCNLCBIMLW-BRWVUGGUSA-N 2 2 360.462 0.617 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001226697008 1225852476 /nfs/dbraw/zinc/85/24/76/1225852476.db2.gz PTMMWCNLCBIMLW-BRWVUGGUSA-N 2 2 360.462 0.617 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CC4CCOCC4)C3)C2)O1 ZINC001053844416 1218894013 /nfs/dbraw/zinc/89/40/13/1218894013.db2.gz IIHQGNYFVPSDCB-HYVNUMGLSA-N 2 2 367.490 0.092 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2COC3(C[NH+](CC4CCOCC4)C3)C2)O1 ZINC001053844416 1218894014 /nfs/dbraw/zinc/89/40/14/1218894014.db2.gz IIHQGNYFVPSDCB-HYVNUMGLSA-N 2 2 367.490 0.092 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)[C@@H](c2ccccc2)C1 ZINC001053934114 1218896932 /nfs/dbraw/zinc/89/69/32/1218896932.db2.gz DQPXMFFTFZFBIP-KURKYZTESA-N 2 2 359.470 0.284 20 0 FCADLP C[N@H+]1C[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)[C@@H](c2ccccc2)C1 ZINC001053934114 1218896933 /nfs/dbraw/zinc/89/69/33/1218896933.db2.gz DQPXMFFTFZFBIP-KURKYZTESA-N 2 2 359.470 0.284 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@@H+]1C ZINC001054134803 1218899111 /nfs/dbraw/zinc/89/91/11/1218899111.db2.gz NXXQSTOYAFARTG-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4ncnn4C)C3)C2)CC[N@H+]1C ZINC001054134803 1218899112 /nfs/dbraw/zinc/89/91/12/1218899112.db2.gz NXXQSTOYAFARTG-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001054134803 1218899113 /nfs/dbraw/zinc/89/91/13/1218899113.db2.gz NXXQSTOYAFARTG-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4ncnn4C)C3)C2)CC[NH+]1C ZINC001054134803 1218899114 /nfs/dbraw/zinc/89/91/14/1218899114.db2.gz NXXQSTOYAFARTG-MDZRGWNJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cnon4)C3)C2)O1 ZINC001054154878 1218899318 /nfs/dbraw/zinc/89/93/18/1218899318.db2.gz XOFBXJWZTRLHJJ-KYJSFNMBSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[NH+](Cc4cnon4)C3)C2)O1 ZINC001054154878 1218899321 /nfs/dbraw/zinc/89/93/21/1218899321.db2.gz XOFBXJWZTRLHJJ-KYJSFNMBSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cnon4)C3)C2)O1 ZINC001054154878 1218899322 /nfs/dbraw/zinc/89/93/22/1218899322.db2.gz XOFBXJWZTRLHJJ-KYJSFNMBSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cnon4)C3)C2)O1 ZINC001054154878 1218899324 /nfs/dbraw/zinc/89/93/24/1218899324.db2.gz XOFBXJWZTRLHJJ-KYJSFNMBSA-N 2 2 363.462 0.603 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000826846349 1218908708 /nfs/dbraw/zinc/90/87/08/1218908708.db2.gz TVLSXKNZVORZTP-INIZCTEOSA-N 2 2 355.442 0.966 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)C1 ZINC000826846349 1218908709 /nfs/dbraw/zinc/90/87/09/1218908709.db2.gz TVLSXKNZVORZTP-INIZCTEOSA-N 2 2 355.442 0.966 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001055034194 1218979116 /nfs/dbraw/zinc/97/91/16/1218979116.db2.gz GNMKBYJSGCCKGQ-NEBZKDRISA-N 2 2 355.446 0.541 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001055034194 1218979121 /nfs/dbraw/zinc/97/91/21/1218979121.db2.gz GNMKBYJSGCCKGQ-NEBZKDRISA-N 2 2 355.446 0.541 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001055551486 1219076917 /nfs/dbraw/zinc/07/69/17/1219076917.db2.gz TZGHWBPUCWKZNC-OIISXLGYSA-N 2 2 366.506 0.060 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001055551486 1219076924 /nfs/dbraw/zinc/07/69/24/1219076924.db2.gz TZGHWBPUCWKZNC-OIISXLGYSA-N 2 2 366.506 0.060 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000804058614 1219111882 /nfs/dbraw/zinc/11/18/82/1219111882.db2.gz HXSGTNHDPKGTIH-RRFJBIMHSA-N 2 2 361.446 0.095 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000804058614 1219111886 /nfs/dbraw/zinc/11/18/86/1219111886.db2.gz HXSGTNHDPKGTIH-RRFJBIMHSA-N 2 2 361.446 0.095 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070198278 1219288412 /nfs/dbraw/zinc/28/84/12/1219288412.db2.gz XNKMDTHJHNGCLD-SJORKVTESA-N 2 2 369.473 0.805 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1)C1CC1 ZINC001070209026 1219294955 /nfs/dbraw/zinc/29/49/55/1219294955.db2.gz JHUJZIXBLHEJSD-OWCLPIDISA-N 2 2 359.434 0.148 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001070217919 1219300379 /nfs/dbraw/zinc/30/03/79/1219300379.db2.gz YXQFIIGCQMLFQG-CVEARBPZSA-N 2 2 358.446 0.922 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070220503 1219302711 /nfs/dbraw/zinc/30/27/11/1219302711.db2.gz IWLDUTIBCVKPEQ-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001227729498 1225883135 /nfs/dbraw/zinc/88/31/35/1225883135.db2.gz ZFELDCCFYAWDNX-BRWVUGGUSA-N 2 2 366.506 0.250 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001227729498 1225883136 /nfs/dbraw/zinc/88/31/36/1225883136.db2.gz ZFELDCCFYAWDNX-BRWVUGGUSA-N 2 2 366.506 0.250 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070268921 1219337357 /nfs/dbraw/zinc/33/73/57/1219337357.db2.gz SDGCKJNOOQIXPK-OWCLPIDISA-N 2 2 361.450 0.394 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070284541 1219348719 /nfs/dbraw/zinc/34/87/19/1219348719.db2.gz IPEOFDSPXWGUDQ-IMJJTQAJSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070302659 1219361140 /nfs/dbraw/zinc/36/11/40/1219361140.db2.gz CZGCAZHNKHVYBA-ZNMIVQPWSA-N 2 2 359.434 0.155 20 0 FCADLP CC(C)[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1n1ccnn1 ZINC001070306788 1219364618 /nfs/dbraw/zinc/36/46/18/1219364618.db2.gz XCBSYMKCHNCZAI-SJORKVTESA-N 2 2 366.429 0.923 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1n1ccnn1 ZINC001070306798 1219364704 /nfs/dbraw/zinc/36/47/04/1219364704.db2.gz XXFOLRFGGAENPK-CVEARBPZSA-N 2 2 352.402 0.534 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1cccnc1 ZINC001070334923 1219384339 /nfs/dbraw/zinc/38/43/39/1219384339.db2.gz WZLNQRCHNAZNCA-OWCLPIDISA-N 2 2 361.425 0.287 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001227848686 1225888232 /nfs/dbraw/zinc/88/82/32/1225888232.db2.gz TZQMTXFQKMXCHO-GVDBMIGSSA-N 2 2 360.462 0.548 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070337777 1219386318 /nfs/dbraw/zinc/38/63/18/1219386318.db2.gz KFQHSMZZJSZPKZ-XHSDSOJGSA-N 2 2 359.434 0.085 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCF ZINC001070661705 1219512736 /nfs/dbraw/zinc/51/27/36/1219512736.db2.gz BOIKJIHUUCBVGY-FVQBIDKESA-N 2 2 360.437 0.733 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccon2)C1)[NH+](C)C ZINC001070690799 1219527578 /nfs/dbraw/zinc/52/75/78/1219527578.db2.gz OIAIRMDHQRYANA-OAGGEKHMSA-N 2 2 360.462 0.833 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001070723896 1219544074 /nfs/dbraw/zinc/54/40/74/1219544074.db2.gz WWBPRGBULPYBIM-BZUAXINKSA-N 2 2 358.446 0.237 20 0 FCADLP CC[NH+](CC)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001070767633 1219545557 /nfs/dbraw/zinc/54/55/57/1219545557.db2.gz FZTRFTXJFLPDME-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001070806032 1219547352 /nfs/dbraw/zinc/54/73/52/1219547352.db2.gz ZPIIJLUXEMXDFN-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001070806032 1219547354 /nfs/dbraw/zinc/54/73/54/1219547354.db2.gz ZPIIJLUXEMXDFN-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070922865 1219580035 /nfs/dbraw/zinc/58/00/35/1219580035.db2.gz PMQVQCZKCPPWAW-IMJJTQAJSA-N 2 2 361.446 0.777 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070922865 1219580041 /nfs/dbraw/zinc/58/00/41/1219580041.db2.gz PMQVQCZKCPPWAW-IMJJTQAJSA-N 2 2 361.446 0.777 20 0 FCADLP CCCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070927011 1219583558 /nfs/dbraw/zinc/58/35/58/1219583558.db2.gz QAKWYGODNZKHAE-XHSDSOJGSA-N 2 2 361.446 0.789 20 0 FCADLP CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070927011 1219583560 /nfs/dbraw/zinc/58/35/60/1219583560.db2.gz QAKWYGODNZKHAE-XHSDSOJGSA-N 2 2 361.446 0.789 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849746 1219624529 /nfs/dbraw/zinc/62/45/29/1219624529.db2.gz KJYFNNMRVZNKAS-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849746 1219624531 /nfs/dbraw/zinc/62/45/31/1219624531.db2.gz KJYFNNMRVZNKAS-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1cnccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849746 1219624532 /nfs/dbraw/zinc/62/45/32/1219624532.db2.gz KJYFNNMRVZNKAS-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1cnccn1)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849746 1219624534 /nfs/dbraw/zinc/62/45/34/1219624534.db2.gz KJYFNNMRVZNKAS-HLLBOEOZSA-N 2 2 359.474 0.791 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001072994816 1219630591 /nfs/dbraw/zinc/63/05/91/1219630591.db2.gz UEGIFWWHNSUBSK-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCCN(C)C1=O)C2 ZINC001072994816 1219630595 /nfs/dbraw/zinc/63/05/95/1219630595.db2.gz UEGIFWWHNSUBSK-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cccnc3)CCCO2)O1 ZINC001073660353 1219675312 /nfs/dbraw/zinc/67/53/12/1219675312.db2.gz BLRHFLLGTOGCCM-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cccnc3)CCCO2)O1 ZINC001073660353 1219675315 /nfs/dbraw/zinc/67/53/15/1219675315.db2.gz BLRHFLLGTOGCCM-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3)CCCO2)O1 ZINC001073660353 1219675320 /nfs/dbraw/zinc/67/53/20/1219675320.db2.gz BLRHFLLGTOGCCM-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cccnc3)CCCO2)O1 ZINC001073660353 1219675325 /nfs/dbraw/zinc/67/53/25/1219675325.db2.gz BLRHFLLGTOGCCM-KBAYOESNSA-N 2 2 362.474 0.508 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001073660614 1219675459 /nfs/dbraw/zinc/67/54/59/1219675459.db2.gz KFPAVBUUXCZAAV-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001073660614 1219675464 /nfs/dbraw/zinc/67/54/64/1219675464.db2.gz KFPAVBUUXCZAAV-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001073660614 1219675467 /nfs/dbraw/zinc/67/54/67/1219675467.db2.gz KFPAVBUUXCZAAV-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[N@H+]2CCCO[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001073660614 1219675469 /nfs/dbraw/zinc/67/54/69/1219675469.db2.gz KFPAVBUUXCZAAV-DJIMGWMZSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[NH+]2CCCO[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001073660716 1219676349 /nfs/dbraw/zinc/67/63/49/1219676349.db2.gz MPORYOIUNFUFBF-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[NH+]2CCCO[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001073660716 1219676354 /nfs/dbraw/zinc/67/63/54/1219676354.db2.gz MPORYOIUNFUFBF-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[N@@H+]2CCCO[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001073660716 1219676356 /nfs/dbraw/zinc/67/63/56/1219676356.db2.gz MPORYOIUNFUFBF-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncc(C[N@H+]2CCCO[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001073660716 1219676358 /nfs/dbraw/zinc/67/63/58/1219676358.db2.gz MPORYOIUNFUFBF-FRFSOERESA-N 2 2 366.462 0.409 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001098285975 1219752215 /nfs/dbraw/zinc/75/22/15/1219752215.db2.gz WZUMBRXGKVRXFC-YUELXQCFSA-N 2 2 359.430 0.131 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001098285975 1219752218 /nfs/dbraw/zinc/75/22/18/1219752218.db2.gz WZUMBRXGKVRXFC-YUELXQCFSA-N 2 2 359.430 0.131 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914136 1219861658 /nfs/dbraw/zinc/86/16/58/1219861658.db2.gz NBEVWWBMEPKVJF-LXIYXOSZSA-N 2 2 363.462 0.455 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914136 1219861660 /nfs/dbraw/zinc/86/16/60/1219861660.db2.gz NBEVWWBMEPKVJF-LXIYXOSZSA-N 2 2 363.462 0.455 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001099034946 1219894995 /nfs/dbraw/zinc/89/49/95/1219894995.db2.gz HWHMNINRQNPQSD-HRLGVUPISA-N 2 2 359.474 0.583 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001099034946 1219894996 /nfs/dbraw/zinc/89/49/96/1219894996.db2.gz HWHMNINRQNPQSD-HRLGVUPISA-N 2 2 359.474 0.583 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111466346 1219914184 /nfs/dbraw/zinc/91/41/84/1219914184.db2.gz RLHCXBSXXBFQOX-HZMVEIRTSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111466346 1219914187 /nfs/dbraw/zinc/91/41/87/1219914187.db2.gz RLHCXBSXXBFQOX-HZMVEIRTSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111466346 1219914189 /nfs/dbraw/zinc/91/41/89/1219914189.db2.gz RLHCXBSXXBFQOX-HZMVEIRTSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001111466346 1219914191 /nfs/dbraw/zinc/91/41/91/1219914191.db2.gz RLHCXBSXXBFQOX-HZMVEIRTSA-N 2 2 366.506 0.295 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001099137867 1219925511 /nfs/dbraw/zinc/92/55/11/1219925511.db2.gz GOJXGQONXCBITN-YEWDVWPNSA-N 2 2 359.430 0.037 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001099137867 1219925514 /nfs/dbraw/zinc/92/55/14/1219925514.db2.gz GOJXGQONXCBITN-YEWDVWPNSA-N 2 2 359.430 0.037 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099160946 1219936625 /nfs/dbraw/zinc/93/66/25/1219936625.db2.gz XEZWPWPLJSHEIG-DEYYWGMASA-N 2 2 362.478 0.558 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001099160946 1219936631 /nfs/dbraw/zinc/93/66/31/1219936631.db2.gz XEZWPWPLJSHEIG-DEYYWGMASA-N 2 2 362.478 0.558 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001099160946 1219936636 /nfs/dbraw/zinc/93/66/36/1219936636.db2.gz XEZWPWPLJSHEIG-DEYYWGMASA-N 2 2 362.478 0.558 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001099160946 1219936641 /nfs/dbraw/zinc/93/66/41/1219936641.db2.gz XEZWPWPLJSHEIG-DEYYWGMASA-N 2 2 362.478 0.558 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCCN1CCCC1=O)C2 ZINC001099184214 1219943926 /nfs/dbraw/zinc/94/39/26/1219943926.db2.gz FUQSBJIXFBKDFY-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCCN1CCCC1=O)C2 ZINC001099184214 1219943930 /nfs/dbraw/zinc/94/39/30/1219943930.db2.gz FUQSBJIXFBKDFY-LPHOPBHVSA-N 2 2 359.474 0.866 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C3)o1 ZINC001099404141 1219983705 /nfs/dbraw/zinc/98/37/05/1219983705.db2.gz XRCUKZIEUKDWBI-MPGHIAIKSA-N 2 2 363.462 0.427 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C3)o1 ZINC001099404141 1219983707 /nfs/dbraw/zinc/98/37/07/1219983707.db2.gz XRCUKZIEUKDWBI-MPGHIAIKSA-N 2 2 363.462 0.427 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)C1=O ZINC001099521211 1220021761 /nfs/dbraw/zinc/02/17/61/1220021761.db2.gz ZWJRLCASQBPURL-DOXZYTNZSA-N 2 2 359.474 0.791 20 0 FCADLP CCn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2[nH]cc[nH+]2)C3)n1 ZINC001099520740 1220021875 /nfs/dbraw/zinc/02/18/75/1220021875.db2.gz VMOAZFAUUFQQLB-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCOC[C@H]1CCCO1)C2 ZINC001101375356 1220308394 /nfs/dbraw/zinc/30/83/94/1220308394.db2.gz OSMFKMPOOLVSTL-SUMDDJOVSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC001101375356 1220308399 /nfs/dbraw/zinc/30/83/99/1220308399.db2.gz OSMFKMPOOLVSTL-SUMDDJOVSA-N 2 2 362.474 0.928 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375532 1220309044 /nfs/dbraw/zinc/30/90/44/1220309044.db2.gz XSLDSJDNSMMRTN-SUMDDJOVSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375532 1220309046 /nfs/dbraw/zinc/30/90/46/1220309046.db2.gz XSLDSJDNSMMRTN-SUMDDJOVSA-N 2 2 364.490 0.766 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101397752 1220322822 /nfs/dbraw/zinc/32/28/22/1220322822.db2.gz GFNXFLORSBHISM-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C(C)C)C[C@@]2(C)C1 ZINC001101397752 1220322826 /nfs/dbraw/zinc/32/28/26/1220322826.db2.gz GFNXFLORSBHISM-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101403696 1220325592 /nfs/dbraw/zinc/32/55/92/1220325592.db2.gz QLKHPNJTEVYNBY-MDZRGWNJSA-N 2 2 362.474 0.928 20 0 FCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCCO[C@@H]1CCOC1)C2 ZINC001101403696 1220325598 /nfs/dbraw/zinc/32/55/98/1220325598.db2.gz QLKHPNJTEVYNBY-MDZRGWNJSA-N 2 2 362.474 0.928 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429911 1220339395 /nfs/dbraw/zinc/33/93/95/1220339395.db2.gz GFXOTCYIBWOXPJ-KUHUBIRLSA-N 2 2 361.490 0.994 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429911 1220339398 /nfs/dbraw/zinc/33/93/98/1220339398.db2.gz GFXOTCYIBWOXPJ-KUHUBIRLSA-N 2 2 361.490 0.994 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101461551 1220359557 /nfs/dbraw/zinc/35/95/57/1220359557.db2.gz IEPPQDLWEQSLOG-APWZRJJASA-N 2 2 361.490 0.744 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@@]2(C)C1 ZINC001101461551 1220359560 /nfs/dbraw/zinc/35/95/60/1220359560.db2.gz IEPPQDLWEQSLOG-APWZRJJASA-N 2 2 361.490 0.744 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CC(=O)NCc1ccco1)C2 ZINC001101487925 1220371864 /nfs/dbraw/zinc/37/18/64/1220371864.db2.gz AVXAUPOVRSWUQC-BEFAXECRSA-N 2 2 371.441 0.573 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(=O)NCc1ccco1)C2 ZINC001101487925 1220371871 /nfs/dbraw/zinc/37/18/71/1220371871.db2.gz AVXAUPOVRSWUQC-BEFAXECRSA-N 2 2 371.441 0.573 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105278 1220497582 /nfs/dbraw/zinc/49/75/82/1220497582.db2.gz LWKSESJCQNVOED-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105278 1220497591 /nfs/dbraw/zinc/49/75/91/1220497591.db2.gz LWKSESJCQNVOED-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174498 1220535322 /nfs/dbraw/zinc/53/53/22/1220535322.db2.gz WUDQNFWIPNPFMB-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174498 1220535329 /nfs/dbraw/zinc/53/53/29/1220535329.db2.gz WUDQNFWIPNPFMB-HUUCEWRRSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174420 1220535505 /nfs/dbraw/zinc/53/55/05/1220535505.db2.gz RSMOHCNOXUSNFF-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102174420 1220535513 /nfs/dbraw/zinc/53/55/13/1220535513.db2.gz RSMOHCNOXUSNFF-NVXWUHKLSA-N 2 2 371.485 0.936 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185763 1220540791 /nfs/dbraw/zinc/54/07/91/1220540791.db2.gz RXVDQFGSCWLZIY-UNEWFSDZSA-N 2 2 361.494 0.269 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185763 1220540800 /nfs/dbraw/zinc/54/08/00/1220540800.db2.gz RXVDQFGSCWLZIY-UNEWFSDZSA-N 2 2 361.494 0.269 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001229038637 1225974596 /nfs/dbraw/zinc/97/45/96/1225974596.db2.gz YTKCJOHKEIQMSE-NUEKZKHPSA-N 2 2 362.478 0.631 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001229038637 1225974607 /nfs/dbraw/zinc/97/46/07/1225974607.db2.gz YTKCJOHKEIQMSE-NUEKZKHPSA-N 2 2 362.478 0.631 20 0 FCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102330158 1220584721 /nfs/dbraw/zinc/58/47/21/1220584721.db2.gz GDBDGNKNPHEZEL-CKEIUWERSA-N 2 2 365.478 0.883 20 0 FCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C)[NH+](C)C ZINC001102330158 1220584727 /nfs/dbraw/zinc/58/47/27/1220584727.db2.gz GDBDGNKNPHEZEL-CKEIUWERSA-N 2 2 365.478 0.883 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406525 1220612985 /nfs/dbraw/zinc/61/29/85/1220612985.db2.gz XYGJGRFKONUASY-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406525 1220612988 /nfs/dbraw/zinc/61/29/88/1220612988.db2.gz XYGJGRFKONUASY-CZUORRHYSA-N 2 2 355.442 0.935 20 0 FCADLP C[C@@H](c1nncn1C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468530 1220638012 /nfs/dbraw/zinc/63/80/12/1220638012.db2.gz NBCLPCOCKWKXRC-OWCLPIDISA-N 2 2 364.494 0.283 20 0 FCADLP C[C@@H](c1nncn1C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468530 1220638015 /nfs/dbraw/zinc/63/80/15/1220638015.db2.gz NBCLPCOCKWKXRC-OWCLPIDISA-N 2 2 364.494 0.283 20 0 FCADLP 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CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nonc3C)C[C@H]2C)C1 ZINC001103742772 1220959974 /nfs/dbraw/zinc/95/99/74/1220959974.db2.gz VNTVOQNXRQAPGH-FRFSOERESA-N 2 2 365.478 0.673 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nonc3C)C[C@H]2C)C1 ZINC001103742772 1220959978 /nfs/dbraw/zinc/95/99/78/1220959978.db2.gz VNTVOQNXRQAPGH-FRFSOERESA-N 2 2 365.478 0.673 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034250 1221001476 /nfs/dbraw/zinc/00/14/76/1221001476.db2.gz ZVOSALOJKBEDEM-QGPMSJSTSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1cnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC001104034250 1221001480 /nfs/dbraw/zinc/00/14/80/1221001480.db2.gz ZVOSALOJKBEDEM-QGPMSJSTSA-N 2 2 361.490 0.690 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001111773828 1221101846 /nfs/dbraw/zinc/10/18/46/1221101846.db2.gz QAFSJWCVCGDWHN-QOKNQOGYSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001111773828 1221101850 /nfs/dbraw/zinc/10/18/50/1221101850.db2.gz QAFSJWCVCGDWHN-QOKNQOGYSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001111773828 1221101853 /nfs/dbraw/zinc/10/18/53/1221101853.db2.gz QAFSJWCVCGDWHN-QOKNQOGYSA-N 2 2 359.474 0.934 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001111773828 1221101861 /nfs/dbraw/zinc/10/18/61/1221101861.db2.gz QAFSJWCVCGDWHN-QOKNQOGYSA-N 2 2 359.474 0.934 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H]1CCc2c[nH+]cn2C1 ZINC001111792601 1221111576 /nfs/dbraw/zinc/11/15/76/1221111576.db2.gz GLBHMBGNQSFMQI-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H]1CCc2c[nH+]cn2C1 ZINC001111792601 1221111579 /nfs/dbraw/zinc/11/15/79/1221111579.db2.gz GLBHMBGNQSFMQI-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000782276691 1221141387 /nfs/dbraw/zinc/14/13/87/1221141387.db2.gz MJZALWKTRGBOTF-QGZVFWFLSA-N 2 2 367.490 0.790 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902617 1221159552 /nfs/dbraw/zinc/15/95/52/1221159552.db2.gz KTHRNHBARCMDIN-GJYPPUQNSA-N 2 2 366.506 0.333 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001111902617 1221159554 /nfs/dbraw/zinc/15/95/54/1221159554.db2.gz KTHRNHBARCMDIN-GJYPPUQNSA-N 2 2 366.506 0.333 20 0 FCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938003 1221178688 /nfs/dbraw/zinc/17/86/88/1221178688.db2.gz HBOAJDZLQCOTNO-LPHOPBHVSA-N 2 2 363.506 0.952 20 0 FCADLP CCn1ccnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938003 1221178694 /nfs/dbraw/zinc/17/86/94/1221178694.db2.gz HBOAJDZLQCOTNO-LPHOPBHVSA-N 2 2 363.506 0.952 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2)N1CCC1 ZINC001112386638 1221250749 /nfs/dbraw/zinc/25/07/49/1221250749.db2.gz FLBHFEVWHNMQEO-KXBFYZLASA-N 2 2 359.474 0.793 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2)N1CCC1 ZINC001112386638 1221250754 /nfs/dbraw/zinc/25/07/54/1221250754.db2.gz FLBHFEVWHNMQEO-KXBFYZLASA-N 2 2 359.474 0.793 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683199 1226027458 /nfs/dbraw/zinc/02/74/58/1226027458.db2.gz RCXRZUHXUTWVBD-BRWVUGGUSA-N 2 2 368.478 0.004 20 0 FCADLP Cc1cc(N(C)CCOCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001115267243 1221276674 /nfs/dbraw/zinc/27/66/74/1221276674.db2.gz SHLTVSLNAPIZIB-GDBMZVCRSA-N 2 2 365.478 0.382 20 0 FCADLP Cc1cc(N(C)CCOCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001115267243 1221276680 /nfs/dbraw/zinc/27/66/80/1221276680.db2.gz SHLTVSLNAPIZIB-GDBMZVCRSA-N 2 2 365.478 0.382 20 0 FCADLP COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001115736216 1221320591 /nfs/dbraw/zinc/32/05/91/1221320591.db2.gz LIKLQCTWHDIETD-BZUAXINKSA-N 2 2 364.490 0.940 20 0 FCADLP COCCO[C@H]1COCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001116662940 1221377597 /nfs/dbraw/zinc/37/75/97/1221377597.db2.gz SSDPGDQYWWMZFX-MOPGFXCFSA-N 2 2 371.522 0.193 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933141 1226040332 /nfs/dbraw/zinc/04/03/32/1226040332.db2.gz IJNUJWHPMSWQLC-HZPDHXFCSA-N 2 2 365.478 0.430 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3cccc(O)c3)C2)CC1 ZINC001117173879 1221487979 /nfs/dbraw/zinc/48/79/79/1221487979.db2.gz PIQCQAONSKPXSA-INIZCTEOSA-N 2 2 374.485 0.336 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3cccc(O)c3)C2)CC1 ZINC001117173879 1221487986 /nfs/dbraw/zinc/48/79/86/1221487986.db2.gz PIQCQAONSKPXSA-INIZCTEOSA-N 2 2 374.485 0.336 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001230018963 1226046222 /nfs/dbraw/zinc/04/62/22/1226046222.db2.gz LXDIKBRLQOCXAK-IAGOWNOFSA-N 2 2 361.490 0.992 20 0 FCADLP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001230018936 1226046346 /nfs/dbraw/zinc/04/63/46/1226046346.db2.gz KPBZRHONYCEBLS-IAGOWNOFSA-N 2 2 361.490 0.991 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001230152846 1226059002 /nfs/dbraw/zinc/05/90/02/1226059002.db2.gz ULUOLIKKWHNOER-FVQBIDKESA-N 2 2 364.494 0.598 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+]2CCCCC2)n1 ZINC001230171490 1226060582 /nfs/dbraw/zinc/06/05/82/1226060582.db2.gz GUGYPPMQWOEWRV-HZPDHXFCSA-N 2 2 363.510 0.993 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NC[C@@H]1CCOC1 ZINC001230352483 1226076498 /nfs/dbraw/zinc/07/64/98/1226076498.db2.gz BTNZBSMVJIKIJE-ARFHVFGLSA-N 2 2 363.462 0.053 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](Cc3c[nH]ccc3=O)C2)OCC1=O ZINC001277528143 1226108891 /nfs/dbraw/zinc/10/88/91/1226108891.db2.gz QFPGDOUJGTXZDE-GOSISDBHSA-N 2 2 357.414 0.112 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](Cc3c[nH]ccc3=O)C2)OCC1=O ZINC001277528143 1226108894 /nfs/dbraw/zinc/10/88/94/1226108894.db2.gz QFPGDOUJGTXZDE-GOSISDBHSA-N 2 2 357.414 0.112 20 0 FCADLP COC(=O)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC001626165256 1222354213 /nfs/dbraw/zinc/35/42/13/1222354213.db2.gz HXZBEYGMJFPWDG-UHFFFAOYSA-N 2 2 350.419 0.750 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@H](C)C3)c2N)CC[NH+]1C ZINC000828775758 1222417348 /nfs/dbraw/zinc/41/73/48/1222417348.db2.gz XCJKQDDUXKOOAU-HUUCEWRRSA-N 2 2 373.501 0.821 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)c2N)CC[NH+]1C ZINC000828775758 1222417352 /nfs/dbraw/zinc/41/73/52/1222417352.db2.gz XCJKQDDUXKOOAU-HUUCEWRRSA-N 2 2 373.501 0.821 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(=O)n(C)c1=O ZINC001231770186 1226126806 /nfs/dbraw/zinc/12/68/06/1226126806.db2.gz QNAJMEQHULJMML-HZPDHXFCSA-N 2 2 355.442 0.043 20 0 FCADLP C[C@]1(CO)CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139761783 1222558028 /nfs/dbraw/zinc/55/80/28/1222558028.db2.gz MQDPTHXDBJNYDD-VQTJNVASSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@]1(CO)CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139761783 1222558031 /nfs/dbraw/zinc/55/80/31/1222558031.db2.gz MQDPTHXDBJNYDD-VQTJNVASSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@@]1(CO)CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139761782 1222558333 /nfs/dbraw/zinc/55/83/33/1222558333.db2.gz MQDPTHXDBJNYDD-UXHICEINSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@@]1(CO)CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1O ZINC001139761782 1222558336 /nfs/dbraw/zinc/55/83/36/1222558336.db2.gz MQDPTHXDBJNYDD-UXHICEINSA-N 2 2 364.486 0.963 20 0 FCADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766675 1222588142 /nfs/dbraw/zinc/58/81/42/1222588142.db2.gz WMQULWJHTCBIHV-QWQRMKEZSA-N 2 2 371.478 0.584 20 0 FCADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766675 1222588147 /nfs/dbraw/zinc/58/81/47/1222588147.db2.gz WMQULWJHTCBIHV-QWQRMKEZSA-N 2 2 371.478 0.584 20 0 FCADLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4ncccn4)CC3)cn2)CC1 ZINC001232361223 1226149041 /nfs/dbraw/zinc/14/90/41/1226149041.db2.gz UTOJXXSACCLUIE-UHFFFAOYSA-N 2 2 353.474 0.946 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000842034921 1222833528 /nfs/dbraw/zinc/83/35/28/1222833528.db2.gz DLMWASHWBZMIET-CHWSQXEVSA-N 2 2 356.430 0.401 20 0 FCADLP CN1c2ccc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2CCC1=O ZINC000843066636 1222858529 /nfs/dbraw/zinc/85/85/29/1222858529.db2.gz ZOSSNJQELAARGR-KRWDZBQOSA-N 2 2 356.470 0.992 20 0 FCADLP CN1c2ccc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2CCC1=O ZINC000843066636 1222858530 /nfs/dbraw/zinc/85/85/30/1222858530.db2.gz ZOSSNJQELAARGR-KRWDZBQOSA-N 2 2 356.470 0.992 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000843256075 1222865853 /nfs/dbraw/zinc/86/58/53/1222865853.db2.gz XIDRPDKNCIGMFK-ZACQAIPSSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000843256075 1222865854 /nfs/dbraw/zinc/86/58/54/1222865854.db2.gz XIDRPDKNCIGMFK-ZACQAIPSSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C1=O ZINC000843356385 1222872812 /nfs/dbraw/zinc/87/28/12/1222872812.db2.gz VXCWJMRYCWNYEW-RTBURBONSA-N 2 2 373.457 0.592 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277697269 1226160651 /nfs/dbraw/zinc/16/06/51/1226160651.db2.gz IWWNTXDCKFYZTK-DOMZBBRYSA-N 2 2 374.363 0.684 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C1=O ZINC001277697269 1226160655 /nfs/dbraw/zinc/16/06/55/1226160655.db2.gz IWWNTXDCKFYZTK-DOMZBBRYSA-N 2 2 374.363 0.684 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277697275 1226160962 /nfs/dbraw/zinc/16/09/62/1226160962.db2.gz IWWNTXDCKFYZTK-WFASDCNBSA-N 2 2 374.363 0.684 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1=O ZINC001277697275 1226160968 /nfs/dbraw/zinc/16/09/68/1226160968.db2.gz IWWNTXDCKFYZTK-WFASDCNBSA-N 2 2 374.363 0.684 20 0 FCADLP CCn1nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(=O)c2cc3c(cc21)OCO3 ZINC001153670559 1222982353 /nfs/dbraw/zinc/98/23/53/1222982353.db2.gz MEWVAPUFBFRDSO-UHFFFAOYSA-N 2 2 374.401 0.220 20 0 FCADLP Cc1cnc(N2CC([NH+]3CCN(c4ccccn4)CC3)C2)nc1C1C[NH2+]C1 ZINC001154663030 1223015332 /nfs/dbraw/zinc/01/53/32/1223015332.db2.gz CMSVRPHFHNNUNH-UHFFFAOYSA-N 2 2 365.485 0.878 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]cn1 ZINC001155461349 1223036066 /nfs/dbraw/zinc/03/60/66/1223036066.db2.gz CLFWMFSERLZVAA-GDBMZVCRSA-N 2 2 369.473 0.954 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc[nH+]1 ZINC001155461349 1223036071 /nfs/dbraw/zinc/03/60/71/1223036071.db2.gz CLFWMFSERLZVAA-GDBMZVCRSA-N 2 2 369.473 0.954 20 0 FCADLP [NH3+]C1CCN(c2cccc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)[nH+]2)CC1 ZINC001155490517 1223036469 /nfs/dbraw/zinc/03/64/69/1223036469.db2.gz ZPLGEKHIVLIXPY-UHFFFAOYSA-N 3 2 369.473 0.671 20 0 FCADLP COc1cc2c(cc1OC)[C@@H](CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001157423266 1223076801 /nfs/dbraw/zinc/07/68/01/1223076801.db2.gz QDZJBRLAEWXMES-CZUORRHYSA-N 2 2 362.474 0.210 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001158000565 1223086435 /nfs/dbraw/zinc/08/64/35/1223086435.db2.gz YSLWWDRQPWHIPW-MRXNPFEDSA-N 2 2 360.458 0.357 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1ccnc2ccccc12 ZINC001158007523 1223086451 /nfs/dbraw/zinc/08/64/51/1223086451.db2.gz ULFCUOVKLIUIRQ-DOTOQJQBSA-N 2 2 356.426 0.468 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001157999754 1223086519 /nfs/dbraw/zinc/08/65/19/1223086519.db2.gz UDUJNXFEBVYQQI-DLBZAZTESA-N 2 2 373.453 0.700 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC001158007224 1223086769 /nfs/dbraw/zinc/08/67/69/1223086769.db2.gz RTEMHZWFVMPBHA-NVXWUHKLSA-N 2 2 356.426 0.468 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)C1 ZINC001158259329 1223092576 /nfs/dbraw/zinc/09/25/76/1223092576.db2.gz QSSQRGIBNQQCQY-CQSZACIVSA-N 2 2 373.505 0.283 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nc(N4CCOCC4)nc4c3CCN4)CC2)C1 ZINC001158259329 1223092578 /nfs/dbraw/zinc/09/25/78/1223092578.db2.gz QSSQRGIBNQQCQY-CQSZACIVSA-N 2 2 373.505 0.283 20 0 FCADLP CCOC(=O)N1CCc2nnc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)cc2C1 ZINC001158268728 1223093192 /nfs/dbraw/zinc/09/31/92/1223093192.db2.gz LPOSATCCMYBAGX-HNNXBMFYSA-N 2 2 374.489 0.993 20 0 FCADLP CCOC(=O)N1CCc2nnc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)cc2C1 ZINC001158268728 1223093198 /nfs/dbraw/zinc/09/31/98/1223093198.db2.gz LPOSATCCMYBAGX-HNNXBMFYSA-N 2 2 374.489 0.993 20 0 FCADLP COc1ccnc(O[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)n1 ZINC001158438072 1223097820 /nfs/dbraw/zinc/09/78/20/1223097820.db2.gz AVRWQGZTQMGONZ-OAHLLOKOSA-N 2 2 356.430 0.948 20 0 FCADLP O=C(N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158672051 1223105094 /nfs/dbraw/zinc/10/50/94/1223105094.db2.gz NVXAMHPQQWSMKN-LYYGHALDSA-N 2 2 372.469 0.308 20 0 FCADLP Cn1ncc2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C[C@@H]2COc1cccnc1 ZINC001158841035 1223110989 /nfs/dbraw/zinc/11/09/89/1223110989.db2.gz GRPUVRQDENQNGA-IOASZLSFSA-N 2 2 356.430 0.009 20 0 FCADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159133923 1223118291 /nfs/dbraw/zinc/11/82/91/1223118291.db2.gz LAUYPAUGVYLAKE-GBESFXJTSA-N 3 2 372.517 0.007 20 0 FCADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159133923 1223118294 /nfs/dbraw/zinc/11/82/94/1223118294.db2.gz LAUYPAUGVYLAKE-GBESFXJTSA-N 3 2 372.517 0.007 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159191522 1223120400 /nfs/dbraw/zinc/12/04/00/1223120400.db2.gz HSNLVZHPKMCBBC-MXSMSXNCSA-N 2 2 359.474 0.218 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)C1 ZINC001159227099 1223121273 /nfs/dbraw/zinc/12/12/73/1223121273.db2.gz BCAKAOGDTPHLQR-QSOKESPWSA-N 2 2 360.458 0.438 20 0 FCADLP Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001159376134 1223125552 /nfs/dbraw/zinc/12/55/52/1223125552.db2.gz VIAWTNBUENQFSU-BHYGNILZSA-N 2 2 370.457 0.147 20 0 FCADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001159412627 1223126411 /nfs/dbraw/zinc/12/64/11/1223126411.db2.gz WGFXVWXLENSOHS-AEFFLSMTSA-N 3 2 357.502 0.974 20 0 FCADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001159412627 1223126412 /nfs/dbraw/zinc/12/64/12/1223126412.db2.gz WGFXVWXLENSOHS-AEFFLSMTSA-N 3 2 357.502 0.974 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@@H]21 ZINC001159533387 1223129343 /nfs/dbraw/zinc/12/93/43/1223129343.db2.gz FIEAGJZQHJMCSS-FPSMNIFISA-N 3 2 360.506 0.130 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@@H]21 ZINC001159533387 1223129347 /nfs/dbraw/zinc/12/93/47/1223129347.db2.gz FIEAGJZQHJMCSS-FPSMNIFISA-N 3 2 360.506 0.130 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)c1ccccc1 ZINC001159514301 1223129543 /nfs/dbraw/zinc/12/95/43/1223129543.db2.gz AORZTRIVLCYEBX-QGZVFWFLSA-N 2 2 351.414 0.955 20 0 FCADLP O=C(N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159593690 1223130495 /nfs/dbraw/zinc/13/04/95/1223130495.db2.gz HLGJAVSOOJNWAH-MCNSXXNHSA-N 2 2 354.454 0.734 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001159677447 1223133572 /nfs/dbraw/zinc/13/35/72/1223133572.db2.gz JATKEPHPMKYJJN-YESZJQIVSA-N 2 2 371.485 0.229 20 0 FCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001159679085 1223133592 /nfs/dbraw/zinc/13/35/92/1223133592.db2.gz BCKZBGFJMPMGTJ-NVXWUHKLSA-N 2 2 354.458 0.795 20 0 FCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001159680608 1223133598 /nfs/dbraw/zinc/13/35/98/1223133598.db2.gz KNDOOSXSWQNPPP-GOEBONIOSA-N 2 2 372.448 0.935 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)C1 ZINC001159965287 1223140735 /nfs/dbraw/zinc/14/07/35/1223140735.db2.gz BFUCYROHYYVBMQ-CGBFIWBNSA-N 2 2 374.485 0.685 20 0 FCADLP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]21 ZINC001160226899 1223150801 /nfs/dbraw/zinc/15/08/01/1223150801.db2.gz CVCWECFUFOWGPC-ULQDDVLXSA-N 2 2 371.485 0.635 20 0 FCADLP CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001160270634 1223152775 /nfs/dbraw/zinc/15/27/75/1223152775.db2.gz GUUBWYFVEKZPMP-HNNXBMFYSA-N 2 2 366.506 0.191 20 0 FCADLP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160443324 1223159979 /nfs/dbraw/zinc/15/99/79/1223159979.db2.gz GEAZRCNWXXQWQB-QRWLVFNGSA-N 2 2 354.454 0.518 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3ccnn3C)CC2)O1 ZINC001160479512 1223161809 /nfs/dbraw/zinc/16/18/09/1223161809.db2.gz ZMGYGODVOXNKTA-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC2=CC[NH+](Cc3ccnn3C)CC2)O1 ZINC001160479512 1223161818 /nfs/dbraw/zinc/16/18/18/1223161818.db2.gz ZMGYGODVOXNKTA-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@H+](Cc3ccnn3C)CC2)O1 ZINC001160479512 1223161823 /nfs/dbraw/zinc/16/18/23/1223161823.db2.gz ZMGYGODVOXNKTA-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCC2=CC[N@@H+](Cc3ccnn3C)CC2)O1 ZINC001160479512 1223161828 /nfs/dbraw/zinc/16/18/28/1223161828.db2.gz ZMGYGODVOXNKTA-CRAIPNDOSA-N 2 2 361.490 0.778 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001160690607 1223168806 /nfs/dbraw/zinc/16/88/06/1223168806.db2.gz FLMYTBYTEFUBHY-CQSZACIVSA-N 2 2 359.434 0.158 20 0 FCADLP O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160709653 1223169332 /nfs/dbraw/zinc/16/93/32/1223169332.db2.gz HRMITOHLYKRTHZ-RXVVDRJESA-N 3 2 354.498 0.987 20 0 FCADLP O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160709653 1223169334 /nfs/dbraw/zinc/16/93/34/1223169334.db2.gz HRMITOHLYKRTHZ-RXVVDRJESA-N 3 2 354.498 0.987 20 0 FCADLP CO[C@H](C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1)c1ccccc1 ZINC001160904450 1223180379 /nfs/dbraw/zinc/18/03/79/1223180379.db2.gz GJYAZLGVERONRY-QZTJIDSGSA-N 3 2 358.486 0.327 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)C1 ZINC001161138325 1223187019 /nfs/dbraw/zinc/18/70/19/1223187019.db2.gz RUVHTBPCLKKKRB-HNAYVOBHSA-N 2 2 359.426 0.172 20 0 FCADLP CC1(C)N(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[C@]12c1ccccc1OC2=O ZINC001161161664 1223187849 /nfs/dbraw/zinc/18/78/49/1223187849.db2.gz XCOXYVKXXWXEKC-SVIJTADQSA-N 2 2 355.438 0.806 20 0 FCADLP Cc1cc(F)cc(CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C2CC[NH2+]CC2)c1 ZINC001161280439 1223193908 /nfs/dbraw/zinc/19/39/08/1223193908.db2.gz TZAFGNQIWPFDIJ-HNNXBMFYSA-N 2 2 361.425 0.298 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161573754 1223204970 /nfs/dbraw/zinc/20/49/70/1223204970.db2.gz CMYOXSOLRXLXNM-ZACQAIPSSA-N 2 2 369.473 0.440 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161573754 1223204975 /nfs/dbraw/zinc/20/49/75/1223204975.db2.gz CMYOXSOLRXLXNM-ZACQAIPSSA-N 2 2 369.473 0.440 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCn3cnccc3=O)CC2)CC1 ZINC001162190939 1223211596 /nfs/dbraw/zinc/21/15/96/1223211596.db2.gz ICERLUFKDXFZKF-UHFFFAOYSA-N 2 2 361.490 0.652 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCn3cnccc3=O)CC2)CC1 ZINC001162190939 1223211600 /nfs/dbraw/zinc/21/16/00/1223211600.db2.gz ICERLUFKDXFZKF-UHFFFAOYSA-N 2 2 361.490 0.652 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2NCN[C@H]21 ZINC001162437284 1223215965 /nfs/dbraw/zinc/21/59/65/1223215965.db2.gz BENUJVVYYDKBKW-XUVXKRRUSA-N 2 2 365.485 0.137 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2NCN[C@H]21 ZINC001162437284 1223215973 /nfs/dbraw/zinc/21/59/73/1223215973.db2.gz BENUJVVYYDKBKW-XUVXKRRUSA-N 2 2 365.485 0.137 20 0 FCADLP NC(=O)[C@H]1CCCN1c1cc(N2Cc3ccccc3C[C@H]2C[NH3+])nc[nH+]1 ZINC001162744842 1223219182 /nfs/dbraw/zinc/21/91/82/1223219182.db2.gz GTRWWEIVGCDZLR-JKSUJKDBSA-N 2 2 352.442 0.821 20 0 FCADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995908 1223223232 /nfs/dbraw/zinc/22/32/32/1223223232.db2.gz JLOQGQTUSYYCAS-MSOLQXFVSA-N 2 2 362.474 0.557 20 0 FCADLP c1cc2c(nc(N3CCOCC3)[nH+]c2NCc2nnc3n2CCC[NH2+]C3)[nH]1 ZINC001163010947 1223223301 /nfs/dbraw/zinc/22/33/01/1223223301.db2.gz IMHAXLFLBGJJGG-UHFFFAOYSA-N 2 2 369.433 0.491 20 0 FCADLP COc1ccc2[nH+]ccc(NCc3cc(=O)n4c(n3)C[NH2+]CCC4)c2n1 ZINC001163117876 1223225951 /nfs/dbraw/zinc/22/59/51/1223225951.db2.gz FOXPVYPMFQEXLI-UHFFFAOYSA-N 2 2 352.398 0.722 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)[nH+]cn2)CC1 ZINC001163309160 1223229322 /nfs/dbraw/zinc/22/93/22/1223229322.db2.gz GLRCZXGXMAWEEW-KBXCAEBGSA-N 2 2 360.462 0.501 20 0 FCADLP NC(=O)C1CCN(c2cc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc[nH+]2)CC1 ZINC001163309160 1223229323 /nfs/dbraw/zinc/22/93/23/1223229323.db2.gz GLRCZXGXMAWEEW-KBXCAEBGSA-N 2 2 360.462 0.501 20 0 FCADLP [NH3+]CCN(CCO)c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]cn1 ZINC001163832903 1223234674 /nfs/dbraw/zinc/23/46/74/1223234674.db2.gz YNBXKQPCNGQZEH-UHFFFAOYSA-N 2 2 360.437 0.700 20 0 FCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(CN3CC[NH+](C)CC3)ccc2OC)C[NH2+]1 ZINC001164312587 1223237543 /nfs/dbraw/zinc/23/75/43/1223237543.db2.gz RKLRAIKTGJDWQP-RDJZCZTQSA-N 2 2 362.474 0.758 20 0 FCADLP CCNC(=O)CO[C@H]1CCCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001165163728 1223243238 /nfs/dbraw/zinc/24/32/38/1223243238.db2.gz XWVDRZAMLQWMOF-INIZCTEOSA-N 2 2 361.490 0.955 20 0 FCADLP O=C(N[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001165932987 1223261975 /nfs/dbraw/zinc/26/19/75/1223261975.db2.gz QJSPENQRKNALNG-KZNAEPCWSA-N 2 2 371.485 0.611 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001166969466 1223290508 /nfs/dbraw/zinc/29/05/08/1223290508.db2.gz WBWSVTCHUYILGO-BZUAXINKSA-N 2 2 359.474 0.773 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001205217148 1223317626 /nfs/dbraw/zinc/31/76/26/1223317626.db2.gz VRLXGFMYOGQJRI-QZTJIDSGSA-N 2 2 358.442 0.327 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001205217148 1223317629 /nfs/dbraw/zinc/31/76/29/1223317629.db2.gz VRLXGFMYOGQJRI-QZTJIDSGSA-N 2 2 358.442 0.327 20 0 FCADLP COc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001206395396 1223357635 /nfs/dbraw/zinc/35/76/35/1223357635.db2.gz WETHNSUMEOXNNH-HZPDHXFCSA-N 2 2 363.462 0.096 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001206395396 1223357637 /nfs/dbraw/zinc/35/76/37/1223357637.db2.gz WETHNSUMEOXNNH-HZPDHXFCSA-N 2 2 363.462 0.096 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001206395396 1223357639 /nfs/dbraw/zinc/35/76/39/1223357639.db2.gz WETHNSUMEOXNNH-HZPDHXFCSA-N 2 2 363.462 0.096 20 0 FCADLP COc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001206395396 1223357641 /nfs/dbraw/zinc/35/76/41/1223357641.db2.gz WETHNSUMEOXNNH-HZPDHXFCSA-N 2 2 363.462 0.096 20 0 FCADLP COc1cccnc1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206627752 1223363505 /nfs/dbraw/zinc/36/35/05/1223363505.db2.gz MPJKHFFBYIHQDL-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cccnc1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206627752 1223363509 /nfs/dbraw/zinc/36/35/09/1223363509.db2.gz MPJKHFFBYIHQDL-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cccnc1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206627752 1223363511 /nfs/dbraw/zinc/36/35/11/1223363511.db2.gz MPJKHFFBYIHQDL-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cccnc1C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001206627752 1223363513 /nfs/dbraw/zinc/36/35/13/1223363513.db2.gz MPJKHFFBYIHQDL-CRAIPNDOSA-N 2 2 362.474 0.701 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]3CCCO[C@@H]32)cn1 ZINC001207282141 1223433207 /nfs/dbraw/zinc/43/32/07/1223433207.db2.gz MVNWJFFQOWSMCR-GVDBMIGSSA-N 2 2 363.506 0.970 20 0 FCADLP Cn1cc(C(=O)N[C@H]2C[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]3CCCO[C@@H]32)cn1 ZINC001207282141 1223433212 /nfs/dbraw/zinc/43/32/12/1223433212.db2.gz MVNWJFFQOWSMCR-GVDBMIGSSA-N 2 2 363.506 0.970 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336206 1223437815 /nfs/dbraw/zinc/43/78/15/1223437815.db2.gz GAFYSANDBLEERL-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336206 1223437817 /nfs/dbraw/zinc/43/78/17/1223437817.db2.gz GAFYSANDBLEERL-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336206 1223437820 /nfs/dbraw/zinc/43/78/20/1223437820.db2.gz GAFYSANDBLEERL-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCOCC)C[C@H]1C ZINC001207336206 1223437823 /nfs/dbraw/zinc/43/78/23/1223437823.db2.gz GAFYSANDBLEERL-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547013 1223454250 /nfs/dbraw/zinc/45/42/50/1223454250.db2.gz IJLPVXBYWGKTPT-KBAYOESNSA-N 2 2 363.506 0.676 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207547013 1223454253 /nfs/dbraw/zinc/45/42/53/1223454253.db2.gz IJLPVXBYWGKTPT-KBAYOESNSA-N 2 2 363.506 0.676 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C)[NH+](C)C ZINC001207702920 1223472003 /nfs/dbraw/zinc/47/20/03/1223472003.db2.gz ASFCPMFDQYZNKE-DJIMGWMZSA-N 2 2 361.490 0.475 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C)[NH+](C)C ZINC001207702920 1223472006 /nfs/dbraw/zinc/47/20/06/1223472006.db2.gz ASFCPMFDQYZNKE-DJIMGWMZSA-N 2 2 361.490 0.475 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706405 1223472772 /nfs/dbraw/zinc/47/27/72/1223472772.db2.gz ZPUHIVUQVHNXOH-GDBMZVCRSA-N 2 2 364.494 0.110 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001207706405 1223472773 /nfs/dbraw/zinc/47/27/73/1223472773.db2.gz ZPUHIVUQVHNXOH-GDBMZVCRSA-N 2 2 364.494 0.110 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208074454 1223514374 /nfs/dbraw/zinc/51/43/74/1223514374.db2.gz VMPFYCSGVLYWMS-LSBZLQRGSA-N 2 2 362.518 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001208074454 1223514378 /nfs/dbraw/zinc/51/43/78/1223514378.db2.gz VMPFYCSGVLYWMS-LSBZLQRGSA-N 2 2 362.518 0.824 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208250638 1223524885 /nfs/dbraw/zinc/52/48/85/1223524885.db2.gz URPHQUMABYMNNX-IAGOWNOFSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208250638 1223524887 /nfs/dbraw/zinc/52/48/87/1223524887.db2.gz URPHQUMABYMNNX-IAGOWNOFSA-N 2 2 361.490 0.968 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208628382 1223564917 /nfs/dbraw/zinc/56/49/17/1223564917.db2.gz GGDHLIAIPFHGFC-FRFSOERESA-N 2 2 361.490 0.669 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208628382 1223564918 /nfs/dbraw/zinc/56/49/18/1223564918.db2.gz GGDHLIAIPFHGFC-FRFSOERESA-N 2 2 361.490 0.669 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276611497 1223595304 /nfs/dbraw/zinc/59/53/04/1223595304.db2.gz VPQZRIJNHLHFCO-RTBURBONSA-N 3 2 365.566 0.641 20 0 FCADLP C[NH+](C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276611497 1223595306 /nfs/dbraw/zinc/59/53/06/1223595306.db2.gz VPQZRIJNHLHFCO-RTBURBONSA-N 3 2 365.566 0.641 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCCN(CC[NH+]1CCCC1)C2 ZINC001276612206 1223595862 /nfs/dbraw/zinc/59/58/62/1223595862.db2.gz VXVHVGIKYPHQBN-IBGZPJMESA-N 2 2 361.490 0.530 20 0 FCADLP O=c1cc(C[NH+]2CCCC2)nc2n1CCCN(CC[NH+]1CCOCC1)C2 ZINC001209291506 1223608967 /nfs/dbraw/zinc/60/89/67/1223608967.db2.gz DOYWBHYICOXXHI-UHFFFAOYSA-N 2 2 361.490 0.377 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209514993 1223627466 /nfs/dbraw/zinc/62/74/66/1223627466.db2.gz RYCOEVGWFWFUJS-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C1CC1 ZINC001209514993 1223627468 /nfs/dbraw/zinc/62/74/68/1223627468.db2.gz RYCOEVGWFWFUJS-BFYDXBDKSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001209977885 1223660215 /nfs/dbraw/zinc/66/02/15/1223660215.db2.gz RTMQJNCQNJBADH-RHSMWYFYSA-N 2 2 359.430 0.326 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001209977885 1223660219 /nfs/dbraw/zinc/66/02/19/1223660219.db2.gz RTMQJNCQNJBADH-RHSMWYFYSA-N 2 2 359.430 0.326 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315918 1223682075 /nfs/dbraw/zinc/68/20/75/1223682075.db2.gz ZFZXHRFPVIRPNK-NVXWUHKLSA-N 2 2 362.474 0.640 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315918 1223682078 /nfs/dbraw/zinc/68/20/78/1223682078.db2.gz ZFZXHRFPVIRPNK-NVXWUHKLSA-N 2 2 362.474 0.640 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](C[C@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693172 1223719528 /nfs/dbraw/zinc/71/95/28/1223719528.db2.gz DXBUHXUWJPELFR-YJBOKZPZSA-N 2 2 362.430 0.140 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](C[C@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693172 1223719532 /nfs/dbraw/zinc/71/95/32/1223719532.db2.gz DXBUHXUWJPELFR-YJBOKZPZSA-N 2 2 362.430 0.140 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276693908 1223723390 /nfs/dbraw/zinc/72/33/90/1223723390.db2.gz OUMQNBBOJVPQKE-YJBOKZPZSA-N 2 2 362.430 0.177 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001276693908 1223723392 /nfs/dbraw/zinc/72/33/92/1223723392.db2.gz OUMQNBBOJVPQKE-YJBOKZPZSA-N 2 2 362.430 0.177 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184485 1223729433 /nfs/dbraw/zinc/72/94/33/1223729433.db2.gz UWOSADOMCUSJDY-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184485 1223729434 /nfs/dbraw/zinc/72/94/34/1223729434.db2.gz UWOSADOMCUSJDY-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184485 1223729437 /nfs/dbraw/zinc/72/94/37/1223729437.db2.gz UWOSADOMCUSJDY-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]2C)C1 ZINC001211184485 1223729439 /nfs/dbraw/zinc/72/94/39/1223729439.db2.gz UWOSADOMCUSJDY-BZUAXINKSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001213129709 1223752183 /nfs/dbraw/zinc/75/21/83/1223752183.db2.gz ZYPDPZPNQSYCMK-IAGOWNOFSA-N 2 2 371.441 0.290 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001213129709 1223752185 /nfs/dbraw/zinc/75/21/85/1223752185.db2.gz ZYPDPZPNQSYCMK-IAGOWNOFSA-N 2 2 371.441 0.290 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239696 1223775546 /nfs/dbraw/zinc/77/55/46/1223775546.db2.gz WOURSXFNCIWGRL-GVDBMIGSSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239696 1223775549 /nfs/dbraw/zinc/77/55/49/1223775549.db2.gz WOURSXFNCIWGRL-GVDBMIGSSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346302 1223788615 /nfs/dbraw/zinc/78/86/15/1223788615.db2.gz GUOBHNFAYUMIGI-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346302 1223788618 /nfs/dbraw/zinc/78/86/18/1223788618.db2.gz GUOBHNFAYUMIGI-DJIMGWMZSA-N 2 2 368.522 0.591 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001213399750 1223794245 /nfs/dbraw/zinc/79/42/45/1223794245.db2.gz JHLJUXIUCLXHKZ-JFIYKMOQSA-N 2 2 364.490 0.992 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C2)ccn1 ZINC001213399750 1223794246 /nfs/dbraw/zinc/79/42/46/1223794246.db2.gz JHLJUXIUCLXHKZ-JFIYKMOQSA-N 2 2 364.490 0.992 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399695 1223794294 /nfs/dbraw/zinc/79/42/94/1223794294.db2.gz HEEZOBWDQWEBNP-BZUAXINKSA-N 2 2 371.526 0.096 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399695 1223794296 /nfs/dbraw/zinc/79/42/96/1223794296.db2.gz HEEZOBWDQWEBNP-BZUAXINKSA-N 2 2 371.526 0.096 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446351 1223800104 /nfs/dbraw/zinc/80/01/04/1223800104.db2.gz JJDBJINBIMPTNR-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446351 1223800105 /nfs/dbraw/zinc/80/01/05/1223800105.db2.gz JJDBJINBIMPTNR-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001213446351 1223800107 /nfs/dbraw/zinc/80/01/07/1223800107.db2.gz JJDBJINBIMPTNR-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001213446351 1223800108 /nfs/dbraw/zinc/80/01/08/1223800108.db2.gz JJDBJINBIMPTNR-HZPDHXFCSA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446376 1223800259 /nfs/dbraw/zinc/80/02/59/1223800259.db2.gz JXXOWZJBMWGWQX-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446376 1223800254 /nfs/dbraw/zinc/80/02/54/1223800254.db2.gz JXXOWZJBMWGWQX-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446376 1223800255 /nfs/dbraw/zinc/80/02/55/1223800255.db2.gz JXXOWZJBMWGWQX-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446376 1223800258 /nfs/dbraw/zinc/80/02/58/1223800258.db2.gz JXXOWZJBMWGWQX-ARFHVFGLSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578375 1223816757 /nfs/dbraw/zinc/81/67/57/1223816757.db2.gz NNIFRWKZQYFXMX-OWCLPIDISA-N 2 2 363.462 0.018 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578375 1223816758 /nfs/dbraw/zinc/81/67/58/1223816758.db2.gz NNIFRWKZQYFXMX-OWCLPIDISA-N 2 2 363.462 0.018 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1OC ZINC001213588765 1223819361 /nfs/dbraw/zinc/81/93/61/1223819361.db2.gz SJDOXWTXGFBTMI-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1OC ZINC001213588765 1223819364 /nfs/dbraw/zinc/81/93/64/1223819364.db2.gz SJDOXWTXGFBTMI-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001213588765 1223819367 /nfs/dbraw/zinc/81/93/67/1223819367.db2.gz SJDOXWTXGFBTMI-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001213588765 1223819370 /nfs/dbraw/zinc/81/93/70/1223819370.db2.gz SJDOXWTXGFBTMI-IAGOWNOFSA-N 2 2 368.522 0.593 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671624 1223830415 /nfs/dbraw/zinc/83/04/15/1223830415.db2.gz OTCOSSDQEMZILD-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213671624 1223830418 /nfs/dbraw/zinc/83/04/18/1223830418.db2.gz OTCOSSDQEMZILD-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213671624 1223830420 /nfs/dbraw/zinc/83/04/20/1223830420.db2.gz OTCOSSDQEMZILD-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671624 1223830421 /nfs/dbraw/zinc/83/04/21/1223830421.db2.gz OTCOSSDQEMZILD-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213713160 1223837127 /nfs/dbraw/zinc/83/71/27/1223837127.db2.gz LSVDZWREKJEYTQ-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001213713160 1223837129 /nfs/dbraw/zinc/83/71/29/1223837129.db2.gz LSVDZWREKJEYTQ-IXDOHACOSA-N 2 2 368.522 0.593 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213757879 1223845510 /nfs/dbraw/zinc/84/55/10/1223845510.db2.gz WFAGBHCUZHUARY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213757879 1223845513 /nfs/dbraw/zinc/84/55/13/1223845513.db2.gz WFAGBHCUZHUARY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213757879 1223845515 /nfs/dbraw/zinc/84/55/15/1223845515.db2.gz WFAGBHCUZHUARY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001213757879 1223845516 /nfs/dbraw/zinc/84/55/16/1223845516.db2.gz WFAGBHCUZHUARY-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759480 1223845556 /nfs/dbraw/zinc/84/55/56/1223845556.db2.gz NIKOFNXSYMORNY-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759480 1223845557 /nfs/dbraw/zinc/84/55/57/1223845557.db2.gz NIKOFNXSYMORNY-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1OC ZINC001213759480 1223845561 /nfs/dbraw/zinc/84/55/61/1223845561.db2.gz NIKOFNXSYMORNY-DJIMGWMZSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213767447 1223846730 /nfs/dbraw/zinc/84/67/30/1223846730.db2.gz UHMFFVBLJINAKP-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213767447 1223846732 /nfs/dbraw/zinc/84/67/32/1223846732.db2.gz UHMFFVBLJINAKP-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213767447 1223846733 /nfs/dbraw/zinc/84/67/33/1223846733.db2.gz UHMFFVBLJINAKP-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001213767447 1223846734 /nfs/dbraw/zinc/84/67/34/1223846734.db2.gz UHMFFVBLJINAKP-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213802646 1223852857 /nfs/dbraw/zinc/85/28/57/1223852857.db2.gz ZWDFYUYXGPJFBC-KZNAEPCWSA-N 2 2 364.490 0.983 20 0 FCADLP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)C1CC1 ZINC001213802646 1223852858 /nfs/dbraw/zinc/85/28/58/1223852858.db2.gz ZWDFYUYXGPJFBC-KZNAEPCWSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930026 1223875252 /nfs/dbraw/zinc/87/52/52/1223875252.db2.gz WLHQWIXPLPJNNQ-DJIMGWMZSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930026 1223875256 /nfs/dbraw/zinc/87/52/56/1223875256.db2.gz WLHQWIXPLPJNNQ-DJIMGWMZSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930026 1223875258 /nfs/dbraw/zinc/87/52/58/1223875258.db2.gz WLHQWIXPLPJNNQ-DJIMGWMZSA-N 2 2 368.522 0.589 20 0 FCADLP CO[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930026 1223875262 /nfs/dbraw/zinc/87/52/62/1223875262.db2.gz WLHQWIXPLPJNNQ-DJIMGWMZSA-N 2 2 368.522 0.589 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929975 1223875339 /nfs/dbraw/zinc/87/53/39/1223875339.db2.gz UDWUEEFWCNLASS-ARFHVFGLSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929975 1223875341 /nfs/dbraw/zinc/87/53/41/1223875341.db2.gz UDWUEEFWCNLASS-ARFHVFGLSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929975 1223875342 /nfs/dbraw/zinc/87/53/42/1223875342.db2.gz UDWUEEFWCNLASS-ARFHVFGLSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929975 1223875345 /nfs/dbraw/zinc/87/53/45/1223875345.db2.gz UDWUEEFWCNLASS-ARFHVFGLSA-N 2 2 370.538 0.835 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975408 1223879893 /nfs/dbraw/zinc/87/98/93/1223879893.db2.gz GRONLCMHMNKZSM-IAGOWNOFSA-N 2 2 360.462 0.455 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213975408 1223879895 /nfs/dbraw/zinc/87/98/95/1223879895.db2.gz GRONLCMHMNKZSM-IAGOWNOFSA-N 2 2 360.462 0.455 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC001214388548 1223906940 /nfs/dbraw/zinc/90/69/40/1223906940.db2.gz BEKGKJXCDUCWST-DJIMGWMZSA-N 2 2 360.458 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC001214388548 1223906944 /nfs/dbraw/zinc/90/69/44/1223906944.db2.gz BEKGKJXCDUCWST-DJIMGWMZSA-N 2 2 360.458 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214531229 1223918497 /nfs/dbraw/zinc/91/84/97/1223918497.db2.gz SZHQZGHFUFHWHB-GDBMZVCRSA-N 2 2 370.457 0.490 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001214531005 1223918721 /nfs/dbraw/zinc/91/87/21/1223918721.db2.gz JSKJAPJXWATEEL-QLFBSQMISA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC001214530803 1223918858 /nfs/dbraw/zinc/91/88/58/1223918858.db2.gz FHSJDCTZNWBXEG-UKRRQHHQSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001215006699 1223963720 /nfs/dbraw/zinc/96/37/20/1223963720.db2.gz ZQJRBHLCGIAWRB-VNQPRFMTSA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001215269309 1223987306 /nfs/dbraw/zinc/98/73/06/1223987306.db2.gz VDRROKNKYDPCHR-OWCLPIDISA-N 2 2 363.462 0.005 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215585769 1224007832 /nfs/dbraw/zinc/00/78/32/1224007832.db2.gz NHEJXGCMHDBGJD-DTZQCDIJSA-N 2 2 359.474 0.486 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001215934371 1224025228 /nfs/dbraw/zinc/02/52/28/1224025228.db2.gz QBAVTZZFNMHVPD-GDBMZVCRSA-N 2 2 365.478 0.817 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001215934269 1224025453 /nfs/dbraw/zinc/02/54/53/1224025453.db2.gz LQCFZKLKEZXUTK-TZMCWYRMSA-N 2 2 361.450 0.030 20 0 FCADLP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216066021 1224032472 /nfs/dbraw/zinc/03/24/72/1224032472.db2.gz XSIVPLPLOFKGRY-ZWNOBZJWSA-N 2 2 359.434 0.367 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC001216383865 1224047959 /nfs/dbraw/zinc/04/79/59/1224047959.db2.gz ROPVKCGJRGGRGJ-RHSMWYFYSA-N 2 2 361.490 0.848 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392858 1224048708 /nfs/dbraw/zinc/04/87/08/1224048708.db2.gz QXKZKTXWOXCEQU-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)C1 ZINC001216565779 1224055810 /nfs/dbraw/zinc/05/58/10/1224055810.db2.gz NSMDPRIRHAUQGA-OSAQELSMSA-N 2 2 371.445 0.514 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276744299 1224058381 /nfs/dbraw/zinc/05/83/81/1224058381.db2.gz SJJLYOQQTCJPHU-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276744299 1224058385 /nfs/dbraw/zinc/05/83/85/1224058385.db2.gz SJJLYOQQTCJPHU-QGZVFWFLSA-N 2 2 358.402 0.616 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216630526 1224059523 /nfs/dbraw/zinc/05/95/23/1224059523.db2.gz IKNNENPYMGGVDF-HYVNUMGLSA-N 2 2 360.462 0.047 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216804595 1224074316 /nfs/dbraw/zinc/07/43/16/1224074316.db2.gz IWLNAMLCZNLRNF-NXHRZFHOSA-N 2 2 369.506 0.197 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C)c1nnnn1C ZINC001216986890 1224083444 /nfs/dbraw/zinc/08/34/44/1224083444.db2.gz CYOPUCPCOIAUSK-BFYDXBDKSA-N 2 2 371.489 0.840 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C)c1nnnn1C ZINC001216986890 1224083446 /nfs/dbraw/zinc/08/34/46/1224083446.db2.gz CYOPUCPCOIAUSK-BFYDXBDKSA-N 2 2 371.489 0.840 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978357124 1248731629 /nfs/dbraw/zinc/73/16/29/1248731629.db2.gz QGHVXEMNORYPCG-OVYGPGRDSA-N 2 2 359.474 0.298 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978357124 1248731633 /nfs/dbraw/zinc/73/16/33/1248731633.db2.gz QGHVXEMNORYPCG-OVYGPGRDSA-N 2 2 359.474 0.298 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978357124 1248731637 /nfs/dbraw/zinc/73/16/37/1248731637.db2.gz QGHVXEMNORYPCG-OVYGPGRDSA-N 2 2 359.474 0.298 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC000978357124 1248731643 /nfs/dbraw/zinc/73/16/43/1248731643.db2.gz QGHVXEMNORYPCG-OVYGPGRDSA-N 2 2 359.474 0.298 20 0 FCADLP C[C@H](c1nncn1C)[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985498014 1248945414 /nfs/dbraw/zinc/94/54/14/1248945414.db2.gz ZHBVVNBLCCJTDV-IIAWOOMASA-N 2 2 364.494 0.518 20 0 FCADLP C[C@H](c1nncn1C)[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985498014 1248945429 /nfs/dbraw/zinc/94/54/29/1248945429.db2.gz ZHBVVNBLCCJTDV-IIAWOOMASA-N 2 2 364.494 0.518 20 0 FCADLP C[C@H](c1nncn1C)[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985498014 1248945443 /nfs/dbraw/zinc/94/54/43/1248945443.db2.gz ZHBVVNBLCCJTDV-IIAWOOMASA-N 2 2 364.494 0.518 20 0 FCADLP C[C@H](c1nncn1C)[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985498014 1248945457 /nfs/dbraw/zinc/94/54/57/1248945457.db2.gz ZHBVVNBLCCJTDV-IIAWOOMASA-N 2 2 364.494 0.518 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990511758 1249361242 /nfs/dbraw/zinc/36/12/42/1249361242.db2.gz AGPPXNJZCJLJAM-OIISXLGYSA-N 2 2 371.485 0.575 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990511758 1249361259 /nfs/dbraw/zinc/36/12/59/1249361259.db2.gz AGPPXNJZCJLJAM-OIISXLGYSA-N 2 2 371.485 0.575 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993436094 1249535913 /nfs/dbraw/zinc/53/59/13/1249535913.db2.gz FELXYESDQHWOPR-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)C1 ZINC000993436094 1249535925 /nfs/dbraw/zinc/53/59/25/1249535925.db2.gz FELXYESDQHWOPR-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000993568616 1249707864 /nfs/dbraw/zinc/70/78/64/1249707864.db2.gz KFVCZONSVYOIIS-BZUAXINKSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993571819 1249713722 /nfs/dbraw/zinc/71/37/22/1249713722.db2.gz JOTSUAOKPHDILE-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2c[nH+]cn2C)C1 ZINC000993571819 1249713729 /nfs/dbraw/zinc/71/37/29/1249713729.db2.gz JOTSUAOKPHDILE-NUEKZKHPSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000993574859 1249719189 /nfs/dbraw/zinc/71/91/89/1249719189.db2.gz BOMQXRHFYDLEKG-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000993574859 1249719202 /nfs/dbraw/zinc/71/92/02/1249719202.db2.gz BOMQXRHFYDLEKG-MWQQHZPXSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1c1c[nH+]cn1C ZINC000993578138 1249724215 /nfs/dbraw/zinc/72/42/15/1249724215.db2.gz IIFZJRHJNJTAJF-JHJVBQTASA-N 2 2 369.416 0.580 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1c1c[nH+]cn1C ZINC000993578138 1249724229 /nfs/dbraw/zinc/72/42/29/1249724229.db2.gz IIFZJRHJNJTAJF-JHJVBQTASA-N 2 2 369.416 0.580 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993585535 1249741216 /nfs/dbraw/zinc/74/12/16/1249741216.db2.gz BXOKCMQUUWJZCM-FVQBIDKESA-N 2 2 370.457 0.567 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993585535 1249741227 /nfs/dbraw/zinc/74/12/27/1249741227.db2.gz BXOKCMQUUWJZCM-FVQBIDKESA-N 2 2 370.457 0.567 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993586826 1249742585 /nfs/dbraw/zinc/74/25/85/1249742585.db2.gz MUNBWKLZRSDIEY-BZUAXINKSA-N 2 2 371.441 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993586826 1249742578 /nfs/dbraw/zinc/74/25/78/1249742578.db2.gz MUNBWKLZRSDIEY-BZUAXINKSA-N 2 2 371.441 0.832 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1CCC1 ZINC000993594367 1249760890 /nfs/dbraw/zinc/76/08/90/1249760890.db2.gz YHMZJFZXBCXSQB-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1CCC1 ZINC000993594367 1249760896 /nfs/dbraw/zinc/76/08/96/1249760896.db2.gz YHMZJFZXBCXSQB-BZUAXINKSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993599420 1249769076 /nfs/dbraw/zinc/76/90/76/1249769076.db2.gz QBEHITDIVFTBIX-GVDBMIGSSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993599420 1249769091 /nfs/dbraw/zinc/76/90/91/1249769091.db2.gz QBEHITDIVFTBIX-GVDBMIGSSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993613417 1249817652 /nfs/dbraw/zinc/81/76/52/1249817652.db2.gz UQXIVZKTUDKPLM-RRFJBIMHSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993613417 1249817671 /nfs/dbraw/zinc/81/76/71/1249817671.db2.gz UQXIVZKTUDKPLM-RRFJBIMHSA-N 2 2 359.474 0.583 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000993832377 1250000723 /nfs/dbraw/zinc/00/07/23/1250000723.db2.gz CYPPAJVOWVPIGU-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000993832377 1250000736 /nfs/dbraw/zinc/00/07/36/1250000736.db2.gz CYPPAJVOWVPIGU-RBSFLKMASA-N 2 2 361.490 0.992 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000051854086 1245298096 /nfs/dbraw/zinc/29/80/96/1245298096.db2.gz BWRDSVKLPDAJOZ-UHFFFAOYSA-N 2 2 361.486 0.839 20 0 FCADLP COc1cccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)c1 ZINC000870157143 1245431725 /nfs/dbraw/zinc/43/17/25/1245431725.db2.gz OTMMLGHGPSIAIJ-LJQANCHMSA-N 2 2 358.486 0.729 20 0 FCADLP COc1cccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)c1 ZINC000870157143 1245431726 /nfs/dbraw/zinc/43/17/26/1245431726.db2.gz OTMMLGHGPSIAIJ-LJQANCHMSA-N 2 2 358.486 0.729 20 0 FCADLP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000911516912 1245504124 /nfs/dbraw/zinc/50/41/24/1245504124.db2.gz PUAJWOXNUOQNMT-KBAYOESNSA-N 2 2 366.421 0.802 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)CC2)cc[nH+]1 ZINC000911561938 1245515123 /nfs/dbraw/zinc/51/51/23/1245515123.db2.gz IJMUUWYVRNDZCR-OAHLLOKOSA-N 2 2 360.462 0.082 20 0 FCADLP CC(C)CN1C(=O)C(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000917460862 1245556998 /nfs/dbraw/zinc/55/69/98/1245556998.db2.gz KSEFHRNCTVAWHQ-UHFFFAOYSA-N 2 2 366.462 0.435 20 0 FCADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000919800802 1245612708 /nfs/dbraw/zinc/61/27/08/1245612708.db2.gz SKUPFMGJUCHKEV-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000940310543 1246278428 /nfs/dbraw/zinc/27/84/28/1246278428.db2.gz CRTLYZCNGKPLET-OAGGEKHMSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000940310543 1246278434 /nfs/dbraw/zinc/27/84/34/1246278434.db2.gz CRTLYZCNGKPLET-OAGGEKHMSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940310543 1246278440 /nfs/dbraw/zinc/27/84/40/1246278440.db2.gz CRTLYZCNGKPLET-OAGGEKHMSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000940310543 1246278447 /nfs/dbraw/zinc/27/84/47/1246278447.db2.gz CRTLYZCNGKPLET-OAGGEKHMSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)O1 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KWYRMVMZMOBRQI-ARFHVFGLSA-N 2 2 359.474 0.962 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001004361256 1253299675 /nfs/dbraw/zinc/29/96/75/1253299675.db2.gz AKNPFJNTUWMLEY-SPUZQDLCSA-N 2 2 371.485 0.553 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004390650 1253311651 /nfs/dbraw/zinc/31/16/51/1253311651.db2.gz KADCEIFWIPVXHK-OAGGEKHMSA-N 2 2 371.485 0.697 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001004814356 1253410567 /nfs/dbraw/zinc/41/05/67/1253410567.db2.gz IZPDKINCKSGLRJ-WNOSKKOXSA-N 2 2 359.474 0.851 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001004814356 1253410578 /nfs/dbraw/zinc/41/05/78/1253410578.db2.gz IZPDKINCKSGLRJ-WNOSKKOXSA-N 2 2 359.474 0.851 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC[N@@H+]1C ZINC001005509960 1253568546 /nfs/dbraw/zinc/56/85/46/1253568546.db2.gz FPKSCRNLWMVQNQ-RBZJEDDUSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC[N@H+]1C ZINC001005509960 1253568548 /nfs/dbraw/zinc/56/85/48/1253568548.db2.gz FPKSCRNLWMVQNQ-RBZJEDDUSA-N 2 2 359.474 0.931 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001005576865 1253582405 /nfs/dbraw/zinc/58/24/05/1253582405.db2.gz WWMSXZNYJUMRCG-RHSMWYFYSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N(C)C3CC3)CC2)O1 ZINC001005576865 1253582420 /nfs/dbraw/zinc/58/24/20/1253582420.db2.gz WWMSXZNYJUMRCG-RHSMWYFYSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001006018896 1253687809 /nfs/dbraw/zinc/68/78/09/1253687809.db2.gz KHABETRXGPAPTK-FVQBIDKESA-N 2 2 361.490 0.923 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cccc5[nH+]ccn54)[C@@H]3C2)C1 ZINC001022135838 1253774117 /nfs/dbraw/zinc/77/41/17/1253774117.db2.gz FPGRPGITGHVERC-ZMSDIMECSA-N 2 2 367.453 0.959 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cccc5[nH+]ccn54)[C@@H]3C2)C1 ZINC001022135838 1253774118 /nfs/dbraw/zinc/77/41/18/1253774118.db2.gz FPGRPGITGHVERC-ZMSDIMECSA-N 2 2 367.453 0.959 20 0 FCADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(=O)n3nc(N)[nH]c3n2)[nH+]1 ZINC001329483882 1265765187 /nfs/dbraw/zinc/76/51/87/1265765187.db2.gz XVJIATLVUOSFDI-ZDUSSCGKSA-N 2 2 354.418 0.780 20 0 FCADLP Cc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463624 1253856270 /nfs/dbraw/zinc/85/62/70/1253856270.db2.gz FNQMWGXRIZYDQQ-KBAYOESNSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463624 1253856275 /nfs/dbraw/zinc/85/62/75/1253856275.db2.gz FNQMWGXRIZYDQQ-KBAYOESNSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463624 1253856281 /nfs/dbraw/zinc/85/62/81/1253856281.db2.gz FNQMWGXRIZYDQQ-KBAYOESNSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001027463624 1253856284 /nfs/dbraw/zinc/85/62/84/1253856284.db2.gz FNQMWGXRIZYDQQ-KBAYOESNSA-N 2 2 363.506 0.870 20 0 FCADLP Cc1ccnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029766765 1253870828 /nfs/dbraw/zinc/87/08/28/1253870828.db2.gz GCPDSUMMFPHEHY-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1ccnc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001029766765 1253870831 /nfs/dbraw/zinc/87/08/31/1253870831.db2.gz GCPDSUMMFPHEHY-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1ccnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029766765 1253870839 /nfs/dbraw/zinc/87/08/39/1253870839.db2.gz GCPDSUMMFPHEHY-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP Cc1ccnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001029766765 1253870846 /nfs/dbraw/zinc/87/08/46/1253870846.db2.gz GCPDSUMMFPHEHY-IXDOHACOSA-N 2 2 361.490 0.784 20 0 FCADLP COCc1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001029741834 1253871051 /nfs/dbraw/zinc/87/10/51/1253871051.db2.gz FHVCWIRZPPRLLF-QLFBSQMISA-N 2 2 365.478 0.837 20 0 FCADLP COCc1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001029741834 1253871056 /nfs/dbraw/zinc/87/10/56/1253871056.db2.gz FHVCWIRZPPRLLF-QLFBSQMISA-N 2 2 365.478 0.837 20 0 FCADLP COCc1noc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001029741834 1253871061 /nfs/dbraw/zinc/87/10/61/1253871061.db2.gz FHVCWIRZPPRLLF-QLFBSQMISA-N 2 2 365.478 0.837 20 0 FCADLP COCc1noc(C[NH+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001029741834 1253871071 /nfs/dbraw/zinc/87/10/71/1253871071.db2.gz FHVCWIRZPPRLLF-QLFBSQMISA-N 2 2 365.478 0.837 20 0 FCADLP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767619 1253875688 /nfs/dbraw/zinc/87/56/88/1253875688.db2.gz VZOQXIBTVKQKKS-JFIYKMOQSA-N 2 2 363.506 0.728 20 0 FCADLP Cc1cc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767619 1253875695 /nfs/dbraw/zinc/87/56/95/1253875695.db2.gz VZOQXIBTVKQKKS-JFIYKMOQSA-N 2 2 363.506 0.728 20 0 FCADLP Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767619 1253875699 /nfs/dbraw/zinc/87/56/99/1253875699.db2.gz VZOQXIBTVKQKKS-JFIYKMOQSA-N 2 2 363.506 0.728 20 0 FCADLP Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001029767619 1253875706 /nfs/dbraw/zinc/87/57/06/1253875706.db2.gz VZOQXIBTVKQKKS-JFIYKMOQSA-N 2 2 363.506 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC[C@H](C)C3)C2)O1 ZINC001031770192 1253895570 /nfs/dbraw/zinc/89/55/70/1253895570.db2.gz WDVJWPZMACVXOL-ZMSDIMECSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC[C@H](C)C3)C2)O1 ZINC001031770192 1253895576 /nfs/dbraw/zinc/89/55/76/1253895576.db2.gz WDVJWPZMACVXOL-ZMSDIMECSA-N 2 2 366.506 0.012 20 0 FCADLP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033185269 1253949152 /nfs/dbraw/zinc/94/91/52/1253949152.db2.gz MUQHWDTUTIKZOP-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001033185269 1253949161 /nfs/dbraw/zinc/94/91/61/1253949161.db2.gz MUQHWDTUTIKZOP-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033185269 1253949169 /nfs/dbraw/zinc/94/91/69/1253949169.db2.gz MUQHWDTUTIKZOP-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001033185269 1253949175 /nfs/dbraw/zinc/94/91/75/1253949175.db2.gz MUQHWDTUTIKZOP-HYVNUMGLSA-N 2 2 362.474 0.842 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC001329645420 1265798053 /nfs/dbraw/zinc/79/80/53/1265798053.db2.gz SLEQEHVVZLCDDP-OWCLPIDISA-N 2 2 373.501 0.943 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273324 1253985151 /nfs/dbraw/zinc/98/51/51/1253985151.db2.gz PTDVBONEPQOCMC-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273324 1253985164 /nfs/dbraw/zinc/98/51/64/1253985164.db2.gz PTDVBONEPQOCMC-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273324 1253985172 /nfs/dbraw/zinc/98/51/72/1253985172.db2.gz PTDVBONEPQOCMC-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273324 1253985176 /nfs/dbraw/zinc/98/51/76/1253985176.db2.gz PTDVBONEPQOCMC-JFIYKMOQSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273328 1253986438 /nfs/dbraw/zinc/98/64/38/1253986438.db2.gz PTDVBONEPQOCMC-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273328 1253986446 /nfs/dbraw/zinc/98/64/46/1253986446.db2.gz PTDVBONEPQOCMC-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273328 1253986452 /nfs/dbraw/zinc/98/64/52/1253986452.db2.gz PTDVBONEPQOCMC-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001034273328 1253986460 /nfs/dbraw/zinc/98/64/60/1253986460.db2.gz PTDVBONEPQOCMC-SOLBZPMBSA-N 2 2 361.490 0.975 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034666021 1253999116 /nfs/dbraw/zinc/99/91/16/1253999116.db2.gz VTVMEVMRFFQVKL-KSTCHIGDSA-N 2 2 359.430 0.335 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034666021 1253999131 /nfs/dbraw/zinc/99/91/31/1253999131.db2.gz VTVMEVMRFFQVKL-KSTCHIGDSA-N 2 2 359.430 0.335 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061677827 1254204452 /nfs/dbraw/zinc/20/44/52/1254204452.db2.gz NGHTWNOVLNKGDB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061677827 1254204459 /nfs/dbraw/zinc/20/44/59/1254204459.db2.gz NGHTWNOVLNKGDB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)Cc3c[nH+]cn3C)CCC2)CC[N@@H+]1C ZINC001063227306 1254319436 /nfs/dbraw/zinc/31/94/36/1254319436.db2.gz MADOZTAKKTXYIE-JKSUJKDBSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)Cc3c[nH+]cn3C)CCC2)CC[N@H+]1C ZINC001063227306 1254319445 /nfs/dbraw/zinc/31/94/45/1254319445.db2.gz MADOZTAKKTXYIE-JKSUJKDBSA-N 2 2 361.490 0.848 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572957 1254712362 /nfs/dbraw/zinc/71/23/62/1254712362.db2.gz WRCAYRSANCICBQ-GUDXXQAFSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001077572957 1254712375 /nfs/dbraw/zinc/71/23/75/1254712375.db2.gz WRCAYRSANCICBQ-GUDXXQAFSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077572957 1254712386 /nfs/dbraw/zinc/71/23/86/1254712386.db2.gz WRCAYRSANCICBQ-GUDXXQAFSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001077572957 1254712399 /nfs/dbraw/zinc/71/23/99/1254712399.db2.gz WRCAYRSANCICBQ-GUDXXQAFSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001077679115 1254862594 /nfs/dbraw/zinc/86/25/94/1254862594.db2.gz HSYYWJJZQZRWBC-NUEKZKHPSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)o1 ZINC001077679115 1254862604 /nfs/dbraw/zinc/86/26/04/1254862604.db2.gz HSYYWJJZQZRWBC-NUEKZKHPSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001077679115 1254862609 /nfs/dbraw/zinc/86/26/09/1254862609.db2.gz HSYYWJJZQZRWBC-NUEKZKHPSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001077679115 1254862617 /nfs/dbraw/zinc/86/26/17/1254862617.db2.gz HSYYWJJZQZRWBC-NUEKZKHPSA-N 2 2 364.490 0.939 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680558 1254868356 /nfs/dbraw/zinc/86/83/56/1254868356.db2.gz NESZQERRCLSVAN-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680558 1254868366 /nfs/dbraw/zinc/86/83/66/1254868366.db2.gz NESZQERRCLSVAN-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680558 1254868378 /nfs/dbraw/zinc/86/83/78/1254868378.db2.gz NESZQERRCLSVAN-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]2O)C1 ZINC001077680558 1254868391 /nfs/dbraw/zinc/86/83/91/1254868391.db2.gz NESZQERRCLSVAN-BMGDILEWSA-N 2 2 365.449 0.708 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680793 1254870666 /nfs/dbraw/zinc/87/06/66/1254870666.db2.gz WSIIPZXOMBEKSD-RKVPGOIHSA-N 2 2 367.469 0.294 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680793 1254870677 /nfs/dbraw/zinc/87/06/77/1254870677.db2.gz WSIIPZXOMBEKSD-RKVPGOIHSA-N 2 2 367.469 0.294 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077774181 1254974663 /nfs/dbraw/zinc/97/46/63/1254974663.db2.gz PBGKCXITYUZWQV-CGTJXYLNSA-N 2 2 363.506 0.654 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077774181 1254974676 /nfs/dbraw/zinc/97/46/76/1254974676.db2.gz PBGKCXITYUZWQV-CGTJXYLNSA-N 2 2 363.506 0.654 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992470 1255152279 /nfs/dbraw/zinc/15/22/79/1255152279.db2.gz ZHAPSALQTFMBTD-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001077992470 1255152282 /nfs/dbraw/zinc/15/22/82/1255152282.db2.gz ZHAPSALQTFMBTD-ZTFGCOKTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001078180160 1255294648 /nfs/dbraw/zinc/29/46/48/1255294648.db2.gz PPOXBEMGLNBOBC-HZPDHXFCSA-N 2 2 361.442 0.215 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001078180160 1255294653 /nfs/dbraw/zinc/29/46/53/1255294653.db2.gz PPOXBEMGLNBOBC-HZPDHXFCSA-N 2 2 361.442 0.215 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001078180215 1255295003 /nfs/dbraw/zinc/29/50/03/1255295003.db2.gz RPSAUEDTBXIMPD-RTBURBONSA-N 2 2 369.469 0.629 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001078180215 1255295008 /nfs/dbraw/zinc/29/50/08/1255295008.db2.gz RPSAUEDTBXIMPD-RTBURBONSA-N 2 2 369.469 0.629 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229371 1255343174 /nfs/dbraw/zinc/34/31/74/1255343174.db2.gz FLTPYZFTRNHCOL-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229371 1255343180 /nfs/dbraw/zinc/34/31/80/1255343180.db2.gz FLTPYZFTRNHCOL-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229371 1255343189 /nfs/dbraw/zinc/34/31/89/1255343189.db2.gz FLTPYZFTRNHCOL-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001078229371 1255343198 /nfs/dbraw/zinc/34/31/98/1255343198.db2.gz FLTPYZFTRNHCOL-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078272050 1255376166 /nfs/dbraw/zinc/37/61/66/1255376166.db2.gz FLZKNRUOJBXBCJ-IAGOWNOFSA-N 2 2 356.426 0.222 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078272050 1255376174 /nfs/dbraw/zinc/37/61/74/1255376174.db2.gz FLZKNRUOJBXBCJ-IAGOWNOFSA-N 2 2 356.426 0.222 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nc(C)no3)C2)CC[N@@H+]1C ZINC001078404063 1255407112 /nfs/dbraw/zinc/40/71/12/1255407112.db2.gz QGSXMPNNOYDNMK-OWCLPIDISA-N 2 2 365.478 0.815 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3nc(C)no3)C2)CC[N@H+]1C ZINC001078404063 1255407116 /nfs/dbraw/zinc/40/71/16/1255407116.db2.gz QGSXMPNNOYDNMK-OWCLPIDISA-N 2 2 365.478 0.815 20 0 FCADLP Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001078413197 1255410069 /nfs/dbraw/zinc/41/00/69/1255410069.db2.gz PLMMBQALVFFVMO-BZUAXINKSA-N 2 2 358.446 0.654 20 0 FCADLP COCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254404 1255488923 /nfs/dbraw/zinc/48/89/23/1255488923.db2.gz BFTJXOJLFPNAAP-DLBZAZTESA-N 2 2 362.474 0.859 20 0 FCADLP COC[C@H](C)[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268389 1255494687 /nfs/dbraw/zinc/49/46/87/1255494687.db2.gz YFKFYEVVODURLD-HRCADAONSA-N 2 2 362.474 0.927 20 0 FCADLP COC[C@H](C)[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079275144 1255497980 /nfs/dbraw/zinc/49/79/80/1255497980.db2.gz FSFXIHWKAACGGJ-YESZJQIVSA-N 2 2 362.474 0.857 20 0 FCADLP COC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079275143 1255498039 /nfs/dbraw/zinc/49/80/39/1255498039.db2.gz FSFXIHWKAACGGJ-IXDOHACOSA-N 2 2 362.474 0.857 20 0 FCADLP CO[C@@H](C)C[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079275467 1255498058 /nfs/dbraw/zinc/49/80/58/1255498058.db2.gz PGTPURGFIWRFNW-YESZJQIVSA-N 2 2 362.474 0.857 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079318707 1255507495 /nfs/dbraw/zinc/50/74/95/1255507495.db2.gz UHIFKNRXCUCTLB-GOEBONIOSA-N 2 2 359.405 0.171 20 0 FCADLP C[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528010 1255535708 /nfs/dbraw/zinc/53/57/08/1255535708.db2.gz PJIXPMSBPKYVBY-QGPMSJSTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528010 1255535711 /nfs/dbraw/zinc/53/57/11/1255535711.db2.gz PJIXPMSBPKYVBY-QGPMSJSTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079528010 1255535714 /nfs/dbraw/zinc/53/57/14/1255535714.db2.gz PJIXPMSBPKYVBY-QGPMSJSTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079528010 1255535716 /nfs/dbraw/zinc/53/57/16/1255535716.db2.gz PJIXPMSBPKYVBY-QGPMSJSTSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982144 1255690799 /nfs/dbraw/zinc/69/07/99/1255690799.db2.gz OWVBAQGXDTUOEJ-UWWQBHOKSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982144 1255690803 /nfs/dbraw/zinc/69/08/03/1255690803.db2.gz OWVBAQGXDTUOEJ-UWWQBHOKSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982103 1255691202 /nfs/dbraw/zinc/69/12/02/1255691202.db2.gz NQOBVFROHMVCJQ-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079982103 1255691204 /nfs/dbraw/zinc/69/12/04/1255691204.db2.gz NQOBVFROHMVCJQ-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079981954 1255691463 /nfs/dbraw/zinc/69/14/63/1255691463.db2.gz IMPYPKHCANKCAT-IIDMSEBBSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079981954 1255691472 /nfs/dbraw/zinc/69/14/72/1255691472.db2.gz IMPYPKHCANKCAT-IIDMSEBBSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079991121 1255695904 /nfs/dbraw/zinc/69/59/04/1255695904.db2.gz WQHIQDLUYYQOHV-DJIMGWMZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079991121 1255695912 /nfs/dbraw/zinc/69/59/12/1255695912.db2.gz WQHIQDLUYYQOHV-DJIMGWMZSA-N 2 2 356.474 0.858 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c(C)n1 ZINC001080138384 1255755892 /nfs/dbraw/zinc/75/58/92/1255755892.db2.gz HJIGQPIQNAIRFV-MLGOLLRUSA-N 2 2 358.446 0.935 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)c(C)n1 ZINC001080138384 1255755898 /nfs/dbraw/zinc/75/58/98/1255755898.db2.gz HJIGQPIQNAIRFV-MLGOLLRUSA-N 2 2 358.446 0.935 20 0 FCADLP CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)[NH+](C)C ZINC001080148012 1255760961 /nfs/dbraw/zinc/76/09/61/1255760961.db2.gz SWUGGZOCXCUEEL-OAGGEKHMSA-N 2 2 361.490 0.923 20 0 FCADLP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160878 1255766108 /nfs/dbraw/zinc/76/61/08/1255766108.db2.gz BTZRTESSSLIZCW-YSISEGQHSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160878 1255766114 /nfs/dbraw/zinc/76/61/14/1255766114.db2.gz BTZRTESSSLIZCW-YSISEGQHSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080160878 1255766120 /nfs/dbraw/zinc/76/61/20/1255766120.db2.gz BTZRTESSSLIZCW-YSISEGQHSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1conc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080160878 1255766125 /nfs/dbraw/zinc/76/61/25/1255766125.db2.gz BTZRTESSSLIZCW-YSISEGQHSA-N 2 2 360.458 0.783 20 0 FCADLP CCn1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)n1 ZINC001080325240 1255842483 /nfs/dbraw/zinc/84/24/83/1255842483.db2.gz XMEAOIFKQBSMFL-KBAYOESNSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)n1 ZINC001080325240 1255842501 /nfs/dbraw/zinc/84/25/01/1255842501.db2.gz XMEAOIFKQBSMFL-KBAYOESNSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)n1 ZINC001080325240 1255842514 /nfs/dbraw/zinc/84/25/14/1255842514.db2.gz XMEAOIFKQBSMFL-KBAYOESNSA-N 2 2 363.506 0.949 20 0 FCADLP CCn1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)n1 ZINC001080325240 1255842520 /nfs/dbraw/zinc/84/25/20/1255842520.db2.gz XMEAOIFKQBSMFL-KBAYOESNSA-N 2 2 363.506 0.949 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001080419352 1255877640 /nfs/dbraw/zinc/87/76/40/1255877640.db2.gz TZAWHNVFYBIFFN-UMVBOHGHSA-N 2 2 360.462 0.291 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001080419352 1255877642 /nfs/dbraw/zinc/87/76/42/1255877642.db2.gz TZAWHNVFYBIFFN-UMVBOHGHSA-N 2 2 360.462 0.291 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454300 1255896381 /nfs/dbraw/zinc/89/63/81/1255896381.db2.gz FBTVOWAKKKCANR-DAXOMENPSA-N 2 2 363.462 0.584 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001080454300 1255896389 /nfs/dbraw/zinc/89/63/89/1255896389.db2.gz FBTVOWAKKKCANR-DAXOMENPSA-N 2 2 363.462 0.584 20 0 FCADLP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001080783578 1256036007 /nfs/dbraw/zinc/03/60/07/1256036007.db2.gz XASNONNPAXKFEZ-RDTXWAMCSA-N 2 2 369.469 0.959 20 0 FCADLP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001080783578 1256036015 /nfs/dbraw/zinc/03/60/15/1256036015.db2.gz XASNONNPAXKFEZ-RDTXWAMCSA-N 2 2 369.469 0.959 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783643 1256036659 /nfs/dbraw/zinc/03/66/59/1256036659.db2.gz YQIWOPLMOLOZPQ-CXAGYDPISA-N 2 2 367.457 0.881 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080783643 1256036663 /nfs/dbraw/zinc/03/66/63/1256036663.db2.gz YQIWOPLMOLOZPQ-CXAGYDPISA-N 2 2 367.457 0.881 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782594 1256037287 /nfs/dbraw/zinc/03/72/87/1256037287.db2.gz SEZSELTZITXBAF-BMFZPTHFSA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782594 1256037295 /nfs/dbraw/zinc/03/72/95/1256037295.db2.gz SEZSELTZITXBAF-BMFZPTHFSA-N 2 2 361.490 0.799 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979184 1256123053 /nfs/dbraw/zinc/12/30/53/1256123053.db2.gz FLRASKGLNXCKLK-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979184 1256123063 /nfs/dbraw/zinc/12/30/63/1256123063.db2.gz FLRASKGLNXCKLK-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979184 1256123069 /nfs/dbraw/zinc/12/30/69/1256123069.db2.gz FLRASKGLNXCKLK-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979184 1256123079 /nfs/dbraw/zinc/12/30/79/1256123079.db2.gz FLRASKGLNXCKLK-OIISXLGYSA-N 2 2 362.474 0.747 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081233459 1256213774 /nfs/dbraw/zinc/21/37/74/1256213774.db2.gz FIJSKJGLGGBIJV-DLBZAZTESA-N 2 2 365.441 0.796 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856670 1256413250 /nfs/dbraw/zinc/41/32/50/1256413250.db2.gz GEVAAFJCWDISRO-BRWVUGGUSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856670 1256413252 /nfs/dbraw/zinc/41/32/52/1256413252.db2.gz GEVAAFJCWDISRO-BRWVUGGUSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081856670 1256413257 /nfs/dbraw/zinc/41/32/57/1256413257.db2.gz GEVAAFJCWDISRO-BRWVUGGUSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081856670 1256413262 /nfs/dbraw/zinc/41/32/62/1256413262.db2.gz GEVAAFJCWDISRO-BRWVUGGUSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880149 1256427203 /nfs/dbraw/zinc/42/72/03/1256427203.db2.gz MWQOGFHCPGVHSU-BRWVUGGUSA-N 2 2 371.441 0.350 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001081880149 1256427207 /nfs/dbraw/zinc/42/72/07/1256427207.db2.gz MWQOGFHCPGVHSU-BRWVUGGUSA-N 2 2 371.441 0.350 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](OC)C2)C1=O ZINC001081893214 1256438049 /nfs/dbraw/zinc/43/80/49/1256438049.db2.gz GSANXVOYKMIEEH-OWCLPIDISA-N 2 2 364.490 0.051 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](OC)C2)C1=O ZINC001081893214 1256438052 /nfs/dbraw/zinc/43/80/52/1256438052.db2.gz GSANXVOYKMIEEH-OWCLPIDISA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900011 1256443489 /nfs/dbraw/zinc/44/34/89/1256443489.db2.gz VSAAODMKFYARSC-HZPDHXFCSA-N 2 2 355.402 0.055 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001081900011 1256443491 /nfs/dbraw/zinc/44/34/91/1256443491.db2.gz VSAAODMKFYARSC-HZPDHXFCSA-N 2 2 355.402 0.055 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082134925 1256551961 /nfs/dbraw/zinc/55/19/61/1256551961.db2.gz IPSHYJZPURWFDC-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082134925 1256551967 /nfs/dbraw/zinc/55/19/67/1256551967.db2.gz IPSHYJZPURWFDC-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001082134925 1256551970 /nfs/dbraw/zinc/55/19/70/1256551970.db2.gz IPSHYJZPURWFDC-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082134925 1256551975 /nfs/dbraw/zinc/55/19/75/1256551975.db2.gz IPSHYJZPURWFDC-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134739 1256553081 /nfs/dbraw/zinc/55/30/81/1256553081.db2.gz ATQCEZKSKWVYMA-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134739 1256553087 /nfs/dbraw/zinc/55/30/87/1256553087.db2.gz ATQCEZKSKWVYMA-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134739 1256553093 /nfs/dbraw/zinc/55/30/93/1256553093.db2.gz ATQCEZKSKWVYMA-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H](OC)C2)ccn1 ZINC001082134739 1256553096 /nfs/dbraw/zinc/55/30/96/1256553096.db2.gz ATQCEZKSKWVYMA-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)cn1 ZINC001082327103 1256668196 /nfs/dbraw/zinc/66/81/96/1256668196.db2.gz CLLLZFVRAWRMIH-IAGOWNOFSA-N 2 2 360.462 0.237 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)cn1 ZINC001082327103 1256668201 /nfs/dbraw/zinc/66/82/01/1256668201.db2.gz CLLLZFVRAWRMIH-IAGOWNOFSA-N 2 2 360.462 0.237 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326589 1256669082 /nfs/dbraw/zinc/66/90/82/1256669082.db2.gz JPLXBTMBFRFIOS-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326589 1256669086 /nfs/dbraw/zinc/66/90/86/1256669086.db2.gz JPLXBTMBFRFIOS-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326589 1256669090 /nfs/dbraw/zinc/66/90/90/1256669090.db2.gz JPLXBTMBFRFIOS-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326589 1256669094 /nfs/dbraw/zinc/66/90/94/1256669094.db2.gz JPLXBTMBFRFIOS-USXIJHARSA-N 2 2 362.474 0.747 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001520986450 1266056924 /nfs/dbraw/zinc/05/69/24/1266056924.db2.gz HAZBJQGHRUQCMQ-NSHDSACASA-N 2 2 351.476 0.678 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001520986450 1266056934 /nfs/dbraw/zinc/05/69/34/1266056934.db2.gz HAZBJQGHRUQCMQ-NSHDSACASA-N 2 2 351.476 0.678 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371102 1256721440 /nfs/dbraw/zinc/72/14/40/1256721440.db2.gz SWJJNCCUGMNSQI-IAGOWNOFSA-N 2 2 360.458 0.197 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371102 1256721443 /nfs/dbraw/zinc/72/14/43/1256721443.db2.gz SWJJNCCUGMNSQI-IAGOWNOFSA-N 2 2 360.458 0.197 20 0 FCADLP COc1coc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)cc1=O ZINC001082549795 1256842499 /nfs/dbraw/zinc/84/24/99/1256842499.db2.gz BCCHARDURZIFSH-IUODEOHRSA-N 2 2 360.414 0.941 20 0 FCADLP COc1coc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)cc1=O ZINC001082549795 1256842509 /nfs/dbraw/zinc/84/25/09/1256842509.db2.gz BCCHARDURZIFSH-IUODEOHRSA-N 2 2 360.414 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082549570 1256844235 /nfs/dbraw/zinc/84/42/35/1256844235.db2.gz JQAAIOZRMAXVKC-IJEWVQPXSA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001082549570 1256844249 /nfs/dbraw/zinc/84/42/49/1256844249.db2.gz JQAAIOZRMAXVKC-IJEWVQPXSA-N 2 2 363.462 0.026 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)n1 ZINC001082558403 1256856380 /nfs/dbraw/zinc/85/63/80/1256856380.db2.gz OMVDDIDHHRZLIF-OIISXLGYSA-N 2 2 371.489 0.548 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1ncccn1 ZINC001082558523 1256857121 /nfs/dbraw/zinc/85/71/21/1256857121.db2.gz VVVFEZMGGJUKOG-BZUAXINKSA-N 2 2 357.462 0.240 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082558902 1256857458 /nfs/dbraw/zinc/85/74/58/1256857458.db2.gz LENFTTWILXJBRP-YUELXQCFSA-N 2 2 370.461 0.719 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082595020 1256908817 /nfs/dbraw/zinc/90/88/17/1256908817.db2.gz SMNYZNHEIBTFDQ-WDBKCZKBSA-N 2 2 355.398 0.418 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1C ZINC001082601321 1256912238 /nfs/dbraw/zinc/91/22/38/1256912238.db2.gz VSEHFIGYFBDLPJ-IJEWVQPXSA-N 2 2 371.489 0.773 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082603132 1256913423 /nfs/dbraw/zinc/91/34/23/1256913423.db2.gz LLXXFSPGLADCEQ-DJIMGWMZSA-N 2 2 369.469 0.781 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C)nn1 ZINC001082603275 1256914612 /nfs/dbraw/zinc/91/46/12/1256914612.db2.gz SDEAICIGFXEQSE-IJEWVQPXSA-N 2 2 370.457 0.881 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082604405 1256916336 /nfs/dbraw/zinc/91/63/36/1256916336.db2.gz OAEOYLRXPLAMDZ-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)ccc2c[nH+]cn21 ZINC001082609464 1256921252 /nfs/dbraw/zinc/92/12/52/1256921252.db2.gz LZAAEEYDUKABNJ-IAQYHMDHSA-N 2 2 369.429 0.315 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C1 ZINC001082646270 1256950540 /nfs/dbraw/zinc/95/05/40/1256950540.db2.gz JFOIYCYENMIICO-IUODEOHRSA-N 2 2 357.462 0.834 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082669310 1256970099 /nfs/dbraw/zinc/97/00/99/1256970099.db2.gz UYTQXPAIKPSDRY-KBRIMQKVSA-N 2 2 353.426 0.811 20 0 FCADLP COc1coc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)cc1=O ZINC001082673751 1256972561 /nfs/dbraw/zinc/97/25/61/1256972561.db2.gz LSSFVHOAQWQNHW-UKRRQHHQSA-N 2 2 360.414 0.872 20 0 FCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521118775 1266084376 /nfs/dbraw/zinc/08/43/76/1266084376.db2.gz ADLQXRZTBLFTHV-INIZCTEOSA-N 2 2 354.495 0.951 20 0 FCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001521118775 1266084382 /nfs/dbraw/zinc/08/43/82/1266084382.db2.gz ADLQXRZTBLFTHV-INIZCTEOSA-N 2 2 354.495 0.951 20 0 FCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001521118775 1266084389 /nfs/dbraw/zinc/08/43/89/1266084389.db2.gz ADLQXRZTBLFTHV-INIZCTEOSA-N 2 2 354.495 0.951 20 0 FCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001521118775 1266084398 /nfs/dbraw/zinc/08/43/98/1266084398.db2.gz ADLQXRZTBLFTHV-INIZCTEOSA-N 2 2 354.495 0.951 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001082751191 1257031306 /nfs/dbraw/zinc/03/13/06/1257031306.db2.gz MRVBYLPGIKPEIM-MWQQHZPXSA-N 2 2 369.469 0.859 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807993 1257066339 /nfs/dbraw/zinc/06/63/39/1257066339.db2.gz OUZBFHBSBKKBIP-GDBMZVCRSA-N 2 2 364.494 0.265 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC001082828085 1257086206 /nfs/dbraw/zinc/08/62/06/1257086206.db2.gz QXUIHLRNPKUSJP-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1C ZINC001082861003 1257112087 /nfs/dbraw/zinc/11/20/87/1257112087.db2.gz ABJGLQBLMNYFJE-UKRRQHHQSA-N 2 2 359.478 0.851 20 0 FCADLP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cc1 ZINC001082861037 1257112372 /nfs/dbraw/zinc/11/23/72/1257112372.db2.gz CGVKKMVISRSPIA-RDTXWAMCSA-N 2 2 369.469 0.959 20 0 FCADLP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001082946817 1257162530 /nfs/dbraw/zinc/16/25/30/1257162530.db2.gz SEXMRJZHNUVKNN-OLMNPRSZSA-N 2 2 371.489 0.932 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nnc2n1CCCCC2 ZINC001082957899 1257168066 /nfs/dbraw/zinc/16/80/66/1257168066.db2.gz CIASXPXOGHIBKR-HUUCEWRRSA-N 2 2 357.462 0.838 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc21 ZINC001082957707 1257168175 /nfs/dbraw/zinc/16/81/75/1257168175.db2.gz ZZWOPRRGXSGLCW-NVXWUHKLSA-N 2 2 367.453 0.909 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035131 1257228489 /nfs/dbraw/zinc/22/84/89/1257228489.db2.gz FVIYHNRWSPNHKW-KSZLIROESA-N 2 2 363.502 0.809 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035131 1257228491 /nfs/dbraw/zinc/22/84/91/1257228491.db2.gz FVIYHNRWSPNHKW-KSZLIROESA-N 2 2 363.502 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035131 1257228495 /nfs/dbraw/zinc/22/84/95/1257228495.db2.gz FVIYHNRWSPNHKW-KSZLIROESA-N 2 2 363.502 0.809 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC5(CCC5)C4)C[C@@H]32)C1 ZINC001083035131 1257228499 /nfs/dbraw/zinc/22/84/99/1257228499.db2.gz FVIYHNRWSPNHKW-KSZLIROESA-N 2 2 363.502 0.809 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085985 1257288143 /nfs/dbraw/zinc/28/81/43/1257288143.db2.gz XQTKGBPRQKFGNN-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085985 1257288147 /nfs/dbraw/zinc/28/81/47/1257288147.db2.gz XQTKGBPRQKFGNN-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085985 1257288151 /nfs/dbraw/zinc/28/81/51/1257288151.db2.gz XQTKGBPRQKFGNN-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085985 1257288153 /nfs/dbraw/zinc/28/81/53/1257288153.db2.gz XQTKGBPRQKFGNN-NRSFXHEJSA-N 2 2 374.485 0.842 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083105921 1257321409 /nfs/dbraw/zinc/32/14/09/1257321409.db2.gz AFZIXKIUBBEOSW-JCGIZDLHSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083105921 1257321421 /nfs/dbraw/zinc/32/14/21/1257321421.db2.gz AFZIXKIUBBEOSW-JCGIZDLHSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@@H](c1cnccn1)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083105921 1257321429 /nfs/dbraw/zinc/32/14/29/1257321429.db2.gz AFZIXKIUBBEOSW-JCGIZDLHSA-N 2 2 359.474 0.934 20 0 FCADLP C[C@@H](c1cnccn1)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083105921 1257321437 /nfs/dbraw/zinc/32/14/37/1257321437.db2.gz AFZIXKIUBBEOSW-JCGIZDLHSA-N 2 2 359.474 0.934 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083121417 1257353454 /nfs/dbraw/zinc/35/34/54/1257353454.db2.gz KGLIVUGIHMRHGB-YESZJQIVSA-N 2 2 369.425 0.367 20 0 FCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001083121417 1257353463 /nfs/dbraw/zinc/35/34/63/1257353463.db2.gz KGLIVUGIHMRHGB-YESZJQIVSA-N 2 2 369.425 0.367 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182929 1257444454 /nfs/dbraw/zinc/44/44/54/1257444454.db2.gz DUKZMDQAKMFSON-JCGIZDLHSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182929 1257444458 /nfs/dbraw/zinc/44/44/58/1257444458.db2.gz DUKZMDQAKMFSON-JCGIZDLHSA-N 2 2 359.474 0.791 20 0 FCADLP COCc1cccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)c1 ZINC001083778793 1257518436 /nfs/dbraw/zinc/51/84/36/1257518436.db2.gz XXNQJYRZNSHXAL-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)c1 ZINC001083778793 1257518441 /nfs/dbraw/zinc/51/84/41/1257518441.db2.gz XXNQJYRZNSHXAL-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)c1 ZINC001083778793 1257518447 /nfs/dbraw/zinc/51/84/47/1257518447.db2.gz XXNQJYRZNSHXAL-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1cccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)c1 ZINC001083778793 1257518456 /nfs/dbraw/zinc/51/84/56/1257518456.db2.gz XXNQJYRZNSHXAL-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2)C[C@@H]1O ZINC001083789437 1257539576 /nfs/dbraw/zinc/53/95/76/1257539576.db2.gz BBKACMKWPXDNMX-MTNOOBJLSA-N 2 2 370.453 0.764 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1O ZINC001083789437 1257539581 /nfs/dbraw/zinc/53/95/81/1257539581.db2.gz BBKACMKWPXDNMX-MTNOOBJLSA-N 2 2 370.453 0.764 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1)OC ZINC001083915180 1257696714 /nfs/dbraw/zinc/69/67/14/1257696714.db2.gz FDFRIVGOPHKAGR-UAGQMJEPSA-N 2 2 359.430 0.467 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1)OC ZINC001083915180 1257696722 /nfs/dbraw/zinc/69/67/22/1257696722.db2.gz FDFRIVGOPHKAGR-UAGQMJEPSA-N 2 2 359.430 0.467 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946721 1257733107 /nfs/dbraw/zinc/73/31/07/1257733107.db2.gz ZHAPSALQTFMBTD-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946721 1257733113 /nfs/dbraw/zinc/73/31/13/1257733113.db2.gz ZHAPSALQTFMBTD-OLMNPRSZSA-N 2 2 371.441 0.469 20 0 FCADLP Cc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083953917 1257742470 /nfs/dbraw/zinc/74/24/70/1257742470.db2.gz BTITUEJFWDPDGI-SJORKVTESA-N 2 2 358.442 0.511 20 0 FCADLP Cc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083953917 1257742471 /nfs/dbraw/zinc/74/24/71/1257742471.db2.gz BTITUEJFWDPDGI-SJORKVTESA-N 2 2 358.442 0.511 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083997762 1257785238 /nfs/dbraw/zinc/78/52/38/1257785238.db2.gz LXYBBKGPNQFPEU-JQHSSLGASA-N 2 2 358.442 0.026 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001083997762 1257785242 /nfs/dbraw/zinc/78/52/42/1257785242.db2.gz LXYBBKGPNQFPEU-JQHSSLGASA-N 2 2 358.442 0.026 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001084057392 1257867919 /nfs/dbraw/zinc/86/79/19/1257867919.db2.gz IRTQWPPKMJAMFJ-OAGGEKHMSA-N 2 2 361.442 0.084 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1O ZINC001084057392 1257867930 /nfs/dbraw/zinc/86/79/30/1257867930.db2.gz IRTQWPPKMJAMFJ-OAGGEKHMSA-N 2 2 361.442 0.084 20 0 FCADLP CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084057723 1257870592 /nfs/dbraw/zinc/87/05/92/1257870592.db2.gz ZIECBBPBIRLIEN-QYZOEREBSA-N 2 2 361.486 0.540 20 0 FCADLP CCc1ccc([C@@H](O)C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084057723 1257870601 /nfs/dbraw/zinc/87/06/01/1257870601.db2.gz ZIECBBPBIRLIEN-QYZOEREBSA-N 2 2 361.486 0.540 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1 ZINC001084059480 1257874912 /nfs/dbraw/zinc/87/49/12/1257874912.db2.gz KUSMJMHLTJXJJF-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1 ZINC001084059480 1257874923 /nfs/dbraw/zinc/87/49/23/1257874923.db2.gz KUSMJMHLTJXJJF-MSOLQXFVSA-N 2 2 358.442 0.699 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001084115845 1257934937 /nfs/dbraw/zinc/93/49/37/1257934937.db2.gz MYCLHHUZWBMRNW-SJORKVTESA-N 2 2 351.410 0.793 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1O ZINC001084115845 1257934939 /nfs/dbraw/zinc/93/49/39/1257934939.db2.gz MYCLHHUZWBMRNW-SJORKVTESA-N 2 2 351.410 0.793 20 0 FCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001084230710 1257977914 /nfs/dbraw/zinc/97/79/14/1257977914.db2.gz DZMNDKVJZDYTRP-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)CC1 ZINC001084230710 1257977921 /nfs/dbraw/zinc/97/79/21/1257977921.db2.gz DZMNDKVJZDYTRP-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)CC1 ZINC001084230710 1257977925 /nfs/dbraw/zinc/97/79/25/1257977925.db2.gz DZMNDKVJZDYTRP-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP CC1CCN(C(=O)C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)CC1 ZINC001084230710 1257977930 /nfs/dbraw/zinc/97/79/30/1257977930.db2.gz DZMNDKVJZDYTRP-FGTMMUONSA-N 2 2 362.518 0.872 20 0 FCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)cc1=O ZINC001084312435 1258016357 /nfs/dbraw/zinc/01/63/57/1258016357.db2.gz QJORMIUPHGBQJF-HZPDHXFCSA-N 2 2 355.442 0.774 20 0 FCADLP Cn1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)cc1=O ZINC001084312435 1258016365 /nfs/dbraw/zinc/01/63/65/1258016365.db2.gz QJORMIUPHGBQJF-HZPDHXFCSA-N 2 2 355.442 0.774 20 0 FCADLP Cn1cncc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084352235 1258044482 /nfs/dbraw/zinc/04/44/82/1258044482.db2.gz ZXRVKRIKKVDTDT-CRAIPNDOSA-N 2 2 371.489 0.525 20 0 FCADLP Cn1cncc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084352235 1258044489 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Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCN3CCCC3=O)CC[C@@H]2C1 ZINC001088170789 1258689349 /nfs/dbraw/zinc/68/93/49/1258689349.db2.gz HCWMWNYIJLJSCA-CVEARBPZSA-N 2 2 359.474 0.365 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088170990 1258690526 /nfs/dbraw/zinc/69/05/26/1258690526.db2.gz RERLTJCMIVEKAK-KFWWJZLASA-N 2 2 361.490 0.944 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088170990 1258690528 /nfs/dbraw/zinc/69/05/28/1258690528.db2.gz RERLTJCMIVEKAK-KFWWJZLASA-N 2 2 361.490 0.944 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199509 1258718943 /nfs/dbraw/zinc/71/89/43/1258718943.db2.gz QWULWJKDKZJBME-ILXRZTDVSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199509 1258718947 /nfs/dbraw/zinc/71/89/47/1258718947.db2.gz QWULWJKDKZJBME-ILXRZTDVSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199509 1258718956 /nfs/dbraw/zinc/71/89/56/1258718956.db2.gz QWULWJKDKZJBME-ILXRZTDVSA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199509 1258718963 /nfs/dbraw/zinc/71/89/63/1258718963.db2.gz QWULWJKDKZJBME-ILXRZTDVSA-N 2 2 363.462 0.448 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199196 1258719893 /nfs/dbraw/zinc/71/98/93/1258719893.db2.gz FPLQHCDHPCDERJ-PMPSAXMXSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199196 1258719896 /nfs/dbraw/zinc/71/98/96/1258719896.db2.gz FPLQHCDHPCDERJ-PMPSAXMXSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199196 1258719904 /nfs/dbraw/zinc/71/99/04/1258719904.db2.gz FPLQHCDHPCDERJ-PMPSAXMXSA-N 2 2 361.494 0.486 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199196 1258719907 /nfs/dbraw/zinc/71/99/07/1258719907.db2.gz FPLQHCDHPCDERJ-PMPSAXMXSA-N 2 2 361.494 0.486 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)nn1 ZINC001088202120 1258724366 /nfs/dbraw/zinc/72/43/66/1258724366.db2.gz LKIIUDOZANGHRD-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)nn1 ZINC001088202120 1258724374 /nfs/dbraw/zinc/72/43/74/1258724374.db2.gz LKIIUDOZANGHRD-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208372 1258731431 /nfs/dbraw/zinc/73/14/31/1258731431.db2.gz WSJFMDPHCWKBLG-IXDOHACOSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208372 1258731434 /nfs/dbraw/zinc/73/14/34/1258731434.db2.gz WSJFMDPHCWKBLG-IXDOHACOSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208372 1258731442 /nfs/dbraw/zinc/73/14/42/1258731442.db2.gz WSJFMDPHCWKBLG-IXDOHACOSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncc(C)o4)CC[C@@H]3C2)C1 ZINC001088208372 1258731445 /nfs/dbraw/zinc/73/14/45/1258731445.db2.gz WSJFMDPHCWKBLG-IXDOHACOSA-N 2 2 362.474 0.984 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211775 1258734767 /nfs/dbraw/zinc/73/47/67/1258734767.db2.gz ZMQXRCWMXMCEFX-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211775 1258734770 /nfs/dbraw/zinc/73/47/70/1258734770.db2.gz ZMQXRCWMXMCEFX-SJORKVTESA-N 2 2 360.506 0.971 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214617 1258736532 /nfs/dbraw/zinc/73/65/32/1258736532.db2.gz UUQBDSBKHLPBIF-RYRKJORJSA-N 2 2 359.474 0.211 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C[C@@H]2C1 ZINC001088214617 1258736537 /nfs/dbraw/zinc/73/65/37/1258736537.db2.gz UUQBDSBKHLPBIF-RYRKJORJSA-N 2 2 359.474 0.211 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)cc1 ZINC001088219744 1258740093 /nfs/dbraw/zinc/74/00/93/1258740093.db2.gz SXUFTMGLKNTDBC-MSOLQXFVSA-N 2 2 367.453 0.963 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)cc1 ZINC001088219744 1258740098 /nfs/dbraw/zinc/74/00/98/1258740098.db2.gz SXUFTMGLKNTDBC-MSOLQXFVSA-N 2 2 367.453 0.963 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091725874 1258803385 /nfs/dbraw/zinc/80/33/85/1258803385.db2.gz QBWDUOOOSBTZGJ-ALKREAHSSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091725874 1258803396 /nfs/dbraw/zinc/80/33/96/1258803396.db2.gz QBWDUOOOSBTZGJ-ALKREAHSSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091725874 1258803408 /nfs/dbraw/zinc/80/34/08/1258803408.db2.gz QBWDUOOOSBTZGJ-ALKREAHSSA-N 2 2 369.473 0.902 20 0 FCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001091725874 1258803414 /nfs/dbraw/zinc/80/34/14/1258803414.db2.gz QBWDUOOOSBTZGJ-ALKREAHSSA-N 2 2 369.473 0.902 20 0 FCADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830499 1258972550 /nfs/dbraw/zinc/97/25/50/1258972550.db2.gz QGQLNQCHSJAWKS-ZIAGYGMSSA-N 2 2 356.430 0.311 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001106877100 1258985138 /nfs/dbraw/zinc/98/51/38/1258985138.db2.gz MNVNMWDDPRJPPA-CZUORRHYSA-N 2 2 359.478 0.555 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COCC(C)C)[C@H](C)C1 ZINC001106922974 1258996509 /nfs/dbraw/zinc/99/65/09/1258996509.db2.gz VQTALIFEZUCODM-OIISXLGYSA-N 2 2 366.506 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001107044465 1259023830 /nfs/dbraw/zinc/02/38/30/1259023830.db2.gz CAZZNNCFGLRYFY-QGPMSJSTSA-N 2 2 361.490 0.457 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079180 1259029242 /nfs/dbraw/zinc/02/92/42/1259029242.db2.gz WHEWZLAVQIOTEB-OWCLPIDISA-N 2 2 365.478 0.108 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2)[NH+](C)C ZINC001107444710 1259092837 /nfs/dbraw/zinc/09/28/37/1259092837.db2.gz XCARPONFQPCAPJ-UWWQBHOKSA-N 2 2 363.510 0.657 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2)[NH+](C)C ZINC001107444710 1259092841 /nfs/dbraw/zinc/09/28/41/1259092841.db2.gz XCARPONFQPCAPJ-UWWQBHOKSA-N 2 2 363.510 0.657 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107533742 1259111353 /nfs/dbraw/zinc/11/13/53/1259111353.db2.gz DIGXLVVECAMSHB-CRAIPNDOSA-N 2 2 363.510 0.896 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107533742 1259111362 /nfs/dbraw/zinc/11/13/62/1259111362.db2.gz DIGXLVVECAMSHB-CRAIPNDOSA-N 2 2 363.510 0.896 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12)C1CC1 ZINC001107588776 1259127025 /nfs/dbraw/zinc/12/70/25/1259127025.db2.gz RJESNWJYRWMLED-DNVCBOLYSA-N 2 2 359.474 0.934 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12)C1CC1 ZINC001107588776 1259127029 /nfs/dbraw/zinc/12/70/29/1259127029.db2.gz RJESNWJYRWMLED-DNVCBOLYSA-N 2 2 359.474 0.934 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCn3cncn3)CCO2)CC[N@@H+]1C ZINC001107953006 1259147694 /nfs/dbraw/zinc/14/76/94/1259147694.db2.gz OFOOVCAXQOARGC-JZXOWHBKSA-N 2 2 364.494 0.216 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[NH+](CCn3cncn3)CCO2)CC[N@H+]1C ZINC001107953006 1259147696 /nfs/dbraw/zinc/14/76/96/1259147696.db2.gz OFOOVCAXQOARGC-JZXOWHBKSA-N 2 2 364.494 0.216 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CCn3cncn3)CCO2)CC[NH+]1C ZINC001107953006 1259147699 /nfs/dbraw/zinc/14/76/99/1259147699.db2.gz OFOOVCAXQOARGC-JZXOWHBKSA-N 2 2 364.494 0.216 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CCn3cncn3)CCO2)CC[NH+]1C ZINC001107953006 1259147704 /nfs/dbraw/zinc/14/77/04/1259147704.db2.gz OFOOVCAXQOARGC-JZXOWHBKSA-N 2 2 364.494 0.216 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001127548222 1259178989 /nfs/dbraw/zinc/17/89/89/1259178989.db2.gz ZJMMDVOQDIKHJY-HUUCEWRRSA-N 2 2 361.490 0.774 20 0 FCADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547235 1259179236 /nfs/dbraw/zinc/17/92/36/1259179236.db2.gz GPOGBCHLRDLGHV-HZPDHXFCSA-N 2 2 361.490 0.632 20 0 FCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)o1 ZINC001127571422 1259181827 /nfs/dbraw/zinc/18/18/27/1259181827.db2.gz RNOLMUCROJYXLX-MAZHCROVSA-N 2 2 365.478 0.892 20 0 FCADLP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851301 1259247072 /nfs/dbraw/zinc/24/70/72/1259247072.db2.gz HNOCHOHESXOOPS-JTWDDWRCSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851301 1259247075 /nfs/dbraw/zinc/24/70/75/1259247075.db2.gz HNOCHOHESXOOPS-JTWDDWRCSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851301 1259247079 /nfs/dbraw/zinc/24/70/79/1259247079.db2.gz HNOCHOHESXOOPS-JTWDDWRCSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851301 1259247082 /nfs/dbraw/zinc/24/70/82/1259247082.db2.gz HNOCHOHESXOOPS-JTWDDWRCSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851300 1259247679 /nfs/dbraw/zinc/24/76/79/1259247679.db2.gz HNOCHOHESXOOPS-FHMLSKBDSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851300 1259247687 /nfs/dbraw/zinc/24/76/87/1259247687.db2.gz HNOCHOHESXOOPS-FHMLSKBDSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851300 1259247692 /nfs/dbraw/zinc/24/76/92/1259247692.db2.gz HNOCHOHESXOOPS-FHMLSKBDSA-N 2 2 362.478 0.307 20 0 FCADLP CC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851300 1259247697 /nfs/dbraw/zinc/24/76/97/1259247697.db2.gz HNOCHOHESXOOPS-FHMLSKBDSA-N 2 2 362.478 0.307 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064427 1259302874 /nfs/dbraw/zinc/30/28/74/1259302874.db2.gz DUCYLHZCOOTRHT-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064427 1259302882 /nfs/dbraw/zinc/30/28/82/1259302882.db2.gz DUCYLHZCOOTRHT-KURKYZTESA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071489 1259305153 /nfs/dbraw/zinc/30/51/53/1259305153.db2.gz DMFZYLZOAZGPJC-KFWWJZLASA-N 2 2 361.450 0.456 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129071489 1259305159 /nfs/dbraw/zinc/30/51/59/1259305159.db2.gz DMFZYLZOAZGPJC-KFWWJZLASA-N 2 2 361.450 0.456 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129080621 1259306558 /nfs/dbraw/zinc/30/65/58/1259306558.db2.gz SKPPZUHFGQFWKU-SJORKVTESA-N 2 2 369.429 0.846 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001129080621 1259306566 /nfs/dbraw/zinc/30/65/66/1259306566.db2.gz SKPPZUHFGQFWKU-SJORKVTESA-N 2 2 369.429 0.846 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122924 1259323019 /nfs/dbraw/zinc/32/30/19/1259323019.db2.gz XVEJIHWEIHHRMU-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122924 1259323028 /nfs/dbraw/zinc/32/30/28/1259323028.db2.gz XVEJIHWEIHHRMU-KFWWJZLASA-N 2 2 361.450 0.021 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129205052 1259344235 /nfs/dbraw/zinc/34/42/35/1259344235.db2.gz OXQIXEKNHSVNPD-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129205052 1259344241 /nfs/dbraw/zinc/34/42/41/1259344241.db2.gz OXQIXEKNHSVNPD-SJORKVTESA-N 2 2 357.462 0.557 20 0 FCADLP COC(=O)C1CCN(c2nccnc2NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001161870624 1259387235 /nfs/dbraw/zinc/38/72/35/1259387235.db2.gz MYWYDSXVHDZARX-UHFFFAOYSA-N 2 2 362.478 0.701 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385935 1259485749 /nfs/dbraw/zinc/48/57/49/1259485749.db2.gz XIAUEMARPRBMMJ-NUEKZKHPSA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385935 1259485752 /nfs/dbraw/zinc/48/57/52/1259485752.db2.gz XIAUEMARPRBMMJ-NUEKZKHPSA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385935 1259485755 /nfs/dbraw/zinc/48/57/55/1259485755.db2.gz XIAUEMARPRBMMJ-NUEKZKHPSA-N 2 2 363.462 0.074 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385935 1259485758 /nfs/dbraw/zinc/48/57/58/1259485758.db2.gz XIAUEMARPRBMMJ-NUEKZKHPSA-N 2 2 363.462 0.074 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403029 1259489671 /nfs/dbraw/zinc/48/96/71/1259489671.db2.gz AEZJCDPDXMRCQT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403029 1259489675 /nfs/dbraw/zinc/48/96/75/1259489675.db2.gz AEZJCDPDXMRCQT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403029 1259489678 /nfs/dbraw/zinc/48/96/78/1259489678.db2.gz AEZJCDPDXMRCQT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403029 1259489682 /nfs/dbraw/zinc/48/96/82/1259489682.db2.gz AEZJCDPDXMRCQT-BRWVUGGUSA-N 2 2 368.522 0.543 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483762 1259519836 /nfs/dbraw/zinc/51/98/36/1259519836.db2.gz RJGUTKXROFICDD-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483762 1259519845 /nfs/dbraw/zinc/51/98/45/1259519845.db2.gz RJGUTKXROFICDD-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483762 1259519846 /nfs/dbraw/zinc/51/98/46/1259519846.db2.gz RJGUTKXROFICDD-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCCCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483762 1259519853 /nfs/dbraw/zinc/51/98/53/1259519853.db2.gz RJGUTKXROFICDD-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483763 1259520716 /nfs/dbraw/zinc/52/07/16/1259520716.db2.gz RJGUTKXROFICDD-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483763 1259520722 /nfs/dbraw/zinc/52/07/22/1259520722.db2.gz RJGUTKXROFICDD-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483763 1259520726 /nfs/dbraw/zinc/52/07/26/1259520726.db2.gz RJGUTKXROFICDD-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483763 1259520733 /nfs/dbraw/zinc/52/07/33/1259520733.db2.gz RJGUTKXROFICDD-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCOC(=O)[C@H]1C[C@@H]2CN(Cc3ccccc3N3CC[NH2+]CC3)C[C@@H]2[NH2+]1 ZINC001235283031 1259569302 /nfs/dbraw/zinc/56/93/02/1259569302.db2.gz NFTPEQSLJZNRPG-KURKYZTESA-N 2 2 358.486 0.822 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235633125 1259580630 /nfs/dbraw/zinc/58/06/30/1259580630.db2.gz PJNDFJFDBBMQKS-HNNXBMFYSA-N 2 2 362.474 0.062 20 0 FCADLP CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235633125 1259580639 /nfs/dbraw/zinc/58/06/39/1259580639.db2.gz PJNDFJFDBBMQKS-HNNXBMFYSA-N 2 2 362.474 0.062 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CC1 ZINC001235794405 1259583109 /nfs/dbraw/zinc/58/31/09/1259583109.db2.gz AILVWHPEAWQVBL-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C1CC1 ZINC001235794405 1259583114 /nfs/dbraw/zinc/58/31/14/1259583114.db2.gz AILVWHPEAWQVBL-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC1 ZINC001235794405 1259583122 /nfs/dbraw/zinc/58/31/22/1259583122.db2.gz AILVWHPEAWQVBL-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC1 ZINC001235794405 1259583129 /nfs/dbraw/zinc/58/31/29/1259583129.db2.gz AILVWHPEAWQVBL-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP COC(=O)[C@H]1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC001236345181 1259590573 /nfs/dbraw/zinc/59/05/73/1259590573.db2.gz DARXQZOKGOZRJD-ZWKOTPCHSA-N 2 2 363.458 0.330 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc4ccccn4n3)CC[C@@H]2C1 ZINC001237443846 1259598388 /nfs/dbraw/zinc/59/83/88/1259598388.db2.gz YFKYUGUTNXXIJJ-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cc4ccccn4n3)CC[C@@H]2C1 ZINC001237443846 1259598392 /nfs/dbraw/zinc/59/83/92/1259598392.db2.gz YFKYUGUTNXXIJJ-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cc4ccccn4n3)CC[C@@H]2C1 ZINC001237443846 1259598398 /nfs/dbraw/zinc/59/83/98/1259598398.db2.gz YFKYUGUTNXXIJJ-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc4ccccn4n3)CC[C@@H]2C1 ZINC001237443846 1259598404 /nfs/dbraw/zinc/59/84/04/1259598404.db2.gz YFKYUGUTNXXIJJ-VQIMIIECSA-N 2 2 371.485 0.945 20 0 FCADLP O=C(c1cccnc1-c1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH2+]CC1 ZINC001240539972 1259627810 /nfs/dbraw/zinc/62/78/10/1259627810.db2.gz OLVQYDWDYGAABK-UHFFFAOYSA-N 2 2 370.457 0.323 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(c2ncccn2)[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246701960 1259664984 /nfs/dbraw/zinc/66/49/84/1259664984.db2.gz GJJRIYUJFYDXCO-KKUMJFAQSA-N 2 2 361.446 0.098 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452942 1259669060 /nfs/dbraw/zinc/66/90/60/1259669060.db2.gz RDNPMEAZZFBAQO-KSZLIROESA-N 3 2 354.539 0.608 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001335452942 1259669067 /nfs/dbraw/zinc/66/90/67/1259669067.db2.gz RDNPMEAZZFBAQO-KSZLIROESA-N 3 2 354.539 0.608 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246814376 1259691746 /nfs/dbraw/zinc/69/17/46/1259691746.db2.gz YOHDRFXVPAMPJR-YDZRNGNQSA-N 2 2 374.485 0.508 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C[NH2+]1 ZINC001246814376 1259691755 /nfs/dbraw/zinc/69/17/55/1259691755.db2.gz YOHDRFXVPAMPJR-YDZRNGNQSA-N 2 2 374.485 0.508 20 0 FCADLP CCOC(=O)[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CCC12C[NH2+]C2 ZINC001247005757 1259696661 /nfs/dbraw/zinc/69/66/61/1259696661.db2.gz GGNSKEABLURJGA-ZNMIVQPWSA-N 2 2 367.490 0.533 20 0 FCADLP CN1CC[NH+](Cc2cccc(-c3noc(C[C@@H]4C[NH2+]CCN4)n3)c2)CC1 ZINC001248359639 1259709624 /nfs/dbraw/zinc/70/96/24/1259709624.db2.gz APSCTLQLNSNVII-QGZVFWFLSA-N 2 2 356.474 0.588 20 0 FCADLP COC(=O)[C@H]1CCC[N@@H+](C2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024097 1259733431 /nfs/dbraw/zinc/73/34/31/1259733431.db2.gz MEUUBCJFCHKSAP-WMZOPIPTSA-N 2 2 369.506 0.029 20 0 FCADLP COC(=O)[C@H]1CCC[N@H+](C2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)C1 ZINC001251024097 1259733435 /nfs/dbraw/zinc/73/34/35/1259733435.db2.gz MEUUBCJFCHKSAP-WMZOPIPTSA-N 2 2 369.506 0.029 20 0 FCADLP COc1cc(NC[C@H](O)C[NH+]2CCOCC2)ccc1N1CC[NH+](C)CC1 ZINC001251034537 1259734235 /nfs/dbraw/zinc/73/42/35/1259734235.db2.gz RJALPXCAPSMSAU-KRWDZBQOSA-N 2 2 364.490 0.552 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335631592 1259752959 /nfs/dbraw/zinc/75/29/59/1259752959.db2.gz ZQUMMFZPRRKVKT-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP COc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001252720516 1259805893 /nfs/dbraw/zinc/80/58/93/1259805893.db2.gz MOFUKDWENDTJLF-CVEARBPZSA-N 2 2 365.474 0.577 20 0 FCADLP COc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001252720516 1259805898 /nfs/dbraw/zinc/80/58/98/1259805898.db2.gz MOFUKDWENDTJLF-CVEARBPZSA-N 2 2 365.474 0.577 20 0 FCADLP CCC[C@@H](O)C[N@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252781358 1259807097 /nfs/dbraw/zinc/80/70/97/1259807097.db2.gz GYZWHCBMSCZPRN-DLBZAZTESA-N 2 2 366.506 0.829 20 0 FCADLP CCC[C@@H](O)C[N@@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252781358 1259807106 /nfs/dbraw/zinc/80/71/06/1259807106.db2.gz GYZWHCBMSCZPRN-DLBZAZTESA-N 2 2 366.506 0.829 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001253182053 1259827492 /nfs/dbraw/zinc/82/74/92/1259827492.db2.gz LAKIECQOLRFLFM-BSDSXHPESA-N 2 2 369.506 0.723 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001253182053 1259827504 /nfs/dbraw/zinc/82/75/04/1259827504.db2.gz LAKIECQOLRFLFM-BSDSXHPESA-N 2 2 369.506 0.723 20 0 FCADLP CC(C)C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCC(N)=O)CC1 ZINC001258010992 1260033058 /nfs/dbraw/zinc/03/30/58/1260033058.db2.gz GGOISSYBHRHSKT-SFHVURJKSA-N 2 2 360.502 0.909 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC001261489194 1260148610 /nfs/dbraw/zinc/14/86/10/1260148610.db2.gz NOXNBYVMHHRGHV-QGZVFWFLSA-N 2 2 358.442 0.967 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262046301 1260250738 /nfs/dbraw/zinc/25/07/38/1260250738.db2.gz NHJQXIPETSROPE-HKUYNNGSSA-N 2 2 360.502 0.908 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262046301 1260250740 /nfs/dbraw/zinc/25/07/40/1260250740.db2.gz NHJQXIPETSROPE-HKUYNNGSSA-N 2 2 360.502 0.908 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC001336927557 1260256322 /nfs/dbraw/zinc/25/63/22/1260256322.db2.gz ZZMJSTINUNXXBP-MRXNPFEDSA-N 2 2 354.495 0.685 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337087250 1260304943 /nfs/dbraw/zinc/30/49/43/1260304943.db2.gz QDKPDWULLOZTDS-SJORKVTESA-N 2 2 355.442 0.999 20 0 FCADLP O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)[nH]n1 ZINC001337409241 1260393220 /nfs/dbraw/zinc/39/32/20/1260393220.db2.gz KHGLSHPJRIMXOQ-CALCHBBNSA-N 2 2 372.473 0.058 20 0 FCADLP O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001337409241 1260393226 /nfs/dbraw/zinc/39/32/26/1260393226.db2.gz KHGLSHPJRIMXOQ-CALCHBBNSA-N 2 2 372.473 0.058 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001271683079 1260446654 /nfs/dbraw/zinc/44/66/54/1260446654.db2.gz LGIGIBOLMPABKW-BBWFWOEESA-N 2 2 357.458 0.569 20 0 FCADLP CN(CC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C)c1cccc[nH+]1 ZINC001272724330 1260488669 /nfs/dbraw/zinc/48/86/69/1260488669.db2.gz MDFWGXMIFYUZOD-HZPDHXFCSA-N 2 2 359.474 0.671 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001272971675 1260543697 /nfs/dbraw/zinc/54/36/97/1260543697.db2.gz STZBNRLEXRAXCY-XLQHLMKVSA-N 2 2 359.474 0.694 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211403 1260624511 /nfs/dbraw/zinc/62/45/11/1260624511.db2.gz XPQPACAHKMEEMP-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211403 1260624520 /nfs/dbraw/zinc/62/45/20/1260624520.db2.gz XPQPACAHKMEEMP-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273211403 1260624529 /nfs/dbraw/zinc/62/45/29/1260624529.db2.gz XPQPACAHKMEEMP-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273211403 1260624537 /nfs/dbraw/zinc/62/45/37/1260624537.db2.gz XPQPACAHKMEEMP-QFBILLFUSA-N 2 2 366.506 0.110 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC[NH+](CC1(O)CCOCC1)CC2 ZINC001277814371 1260671902 /nfs/dbraw/zinc/67/19/02/1260671902.db2.gz ZKZQNJRCPRRYNQ-MRXNPFEDSA-N 2 2 362.474 0.680 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@H]3CCOC3)C2)N1 ZINC001278464486 1260694406 /nfs/dbraw/zinc/69/44/06/1260694406.db2.gz UAELIDYQYMAKAK-IEBWSBKVSA-N 2 2 361.490 0.576 20 0 FCADLP O=C1CCC[C@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@H]3CCOC3)C2)N1 ZINC001278464486 1260694410 /nfs/dbraw/zinc/69/44/10/1260694410.db2.gz UAELIDYQYMAKAK-IEBWSBKVSA-N 2 2 361.490 0.576 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@H+](C[C@H]3CCOC3)C2)N1 ZINC001278464487 1260694941 /nfs/dbraw/zinc/69/49/41/1260694941.db2.gz UAELIDYQYMAKAK-MJGOQNOKSA-N 2 2 361.490 0.576 20 0 FCADLP O=C1CCC[C@@]2(CN(CCn3cc[nH+]c3)CC[N@@H+](C[C@H]3CCOC3)C2)N1 ZINC001278464487 1260694948 /nfs/dbraw/zinc/69/49/48/1260694948.db2.gz UAELIDYQYMAKAK-MJGOQNOKSA-N 2 2 361.490 0.576 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCN(C)C)C[C@H]23)[nH]n1 ZINC001278486610 1260698971 /nfs/dbraw/zinc/69/89/71/1260698971.db2.gz CCCIFZRRVGTDNS-IAGOWNOFSA-N 2 2 360.506 0.292 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCN(C)C)C[C@H]23)[nH]n1 ZINC001278486610 1260698976 /nfs/dbraw/zinc/69/89/76/1260698976.db2.gz CCCIFZRRVGTDNS-IAGOWNOFSA-N 2 2 360.506 0.292 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@H+](Cc4c[nH]c5ncncc45)C[C@@H]32)c[nH+]1 ZINC001278887719 1260751342 /nfs/dbraw/zinc/75/13/42/1260751342.db2.gz FPGWYEFHWIROAB-IRXDYDNUSA-N 2 2 353.430 0.691 20 0 FCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](Cc4c[nH]c5ncncc45)C[C@@H]32)c[nH+]1 ZINC001278887719 1260751347 /nfs/dbraw/zinc/75/13/47/1260751347.db2.gz FPGWYEFHWIROAB-IRXDYDNUSA-N 2 2 353.430 0.691 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309483 1260833850 /nfs/dbraw/zinc/83/38/50/1260833850.db2.gz TXDYKDPBBGZAKF-GOSISDBHSA-N 2 2 363.462 0.654 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309483 1260833870 /nfs/dbraw/zinc/83/38/70/1260833870.db2.gz TXDYKDPBBGZAKF-GOSISDBHSA-N 2 2 363.462 0.654 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309483 1260833877 /nfs/dbraw/zinc/83/38/77/1260833877.db2.gz TXDYKDPBBGZAKF-GOSISDBHSA-N 2 2 363.462 0.654 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1 ZINC001279309483 1260833891 /nfs/dbraw/zinc/83/38/91/1260833891.db2.gz TXDYKDPBBGZAKF-GOSISDBHSA-N 2 2 363.462 0.654 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001279473488 1260877104 /nfs/dbraw/zinc/87/71/04/1260877104.db2.gz CPFZEEYUGUXCOI-YRXWBPOGSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]21 ZINC001279473488 1260877105 /nfs/dbraw/zinc/87/71/05/1260877105.db2.gz CPFZEEYUGUXCOI-YRXWBPOGSA-N 2 2 363.502 0.951 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)CC1 ZINC001279622631 1260902990 /nfs/dbraw/zinc/90/29/90/1260902990.db2.gz FBNFVRPJYQLCLM-OSRSDYAFSA-N 2 2 357.458 0.463 20 0 FCADLP Cn1cccc1C[N@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001279934605 1260971538 /nfs/dbraw/zinc/97/15/38/1260971538.db2.gz UXWZFMREBVWCQQ-DLBZAZTESA-N 2 2 359.474 0.764 20 0 FCADLP Cn1cccc1C[N@@H+]1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001279934605 1260971542 /nfs/dbraw/zinc/97/15/42/1260971542.db2.gz UXWZFMREBVWCQQ-DLBZAZTESA-N 2 2 359.474 0.764 20 0 FCADLP Cn1ncnc1C(=O)N1C[C@@H]2CC[N@H+](Cc3cccc4c[nH+]cn43)[C@@H]2C1 ZINC001280047678 1260985672 /nfs/dbraw/zinc/98/56/72/1260985672.db2.gz PHGAJRQSDWSTSL-XJKSGUPXSA-N 2 2 351.414 0.809 20 0 FCADLP Cn1ncnc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3cccc4c[nH+]cn43)[C@@H]2C1 ZINC001280047678 1260985673 /nfs/dbraw/zinc/98/56/73/1260985673.db2.gz PHGAJRQSDWSTSL-XJKSGUPXSA-N 2 2 351.414 0.809 20 0 FCADLP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001280070922 1260989372 /nfs/dbraw/zinc/98/93/72/1260989372.db2.gz FVFOHVOOFVWFBT-QZTJIDSGSA-N 3 2 363.550 0.155 20 0 FCADLP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](C4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001280070922 1260989376 /nfs/dbraw/zinc/98/93/76/1260989376.db2.gz FVFOHVOOFVWFBT-QZTJIDSGSA-N 3 2 363.550 0.155 20 0 FCADLP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001280120675 1261009176 /nfs/dbraw/zinc/00/91/76/1261009176.db2.gz PXWWEIMPBCNXDV-HZPDHXFCSA-N 2 2 360.458 0.719 20 0 FCADLP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001280120675 1261009180 /nfs/dbraw/zinc/00/91/80/1261009180.db2.gz PXWWEIMPBCNXDV-HZPDHXFCSA-N 2 2 360.458 0.719 20 0 FCADLP CC1(C[N@H+]2C[C@@H]3C(C(=O)Nc4cccc5[nH+]ccn54)=NO[C@@H]3C2)COC1 ZINC001280180546 1261022743 /nfs/dbraw/zinc/02/27/43/1261022743.db2.gz LXQLYIXEADUIIZ-QWHCGFSZSA-N 2 2 355.398 0.996 20 0 FCADLP CC1(C[N@@H+]2C[C@@H]3C(C(=O)Nc4cccc5[nH+]ccn54)=NO[C@@H]3C2)COC1 ZINC001280180546 1261022745 /nfs/dbraw/zinc/02/27/45/1261022745.db2.gz LXQLYIXEADUIIZ-QWHCGFSZSA-N 2 2 355.398 0.996 20 0 FCADLP Cn1c[nH+]cc1CN1CCc2n[nH]c(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001280291538 1261050167 /nfs/dbraw/zinc/05/01/67/1261050167.db2.gz SPOWUDFIEKGESS-UHFFFAOYSA-N 2 2 357.462 0.526 20 0 FCADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001580290530 1278097331 /nfs/dbraw/zinc/09/73/31/1278097331.db2.gz JUKNZXJMWUPZOP-RYUDHWBXSA-N 2 2 367.417 0.059 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001285225858 1261821469 /nfs/dbraw/zinc/82/14/69/1261821469.db2.gz UJJACBMEFKYWIL-NWANDNLSSA-N 2 2 358.446 0.597 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001288974297 1262056768 /nfs/dbraw/zinc/05/67/68/1262056768.db2.gz URGUXOGXWPXIAA-GOEBONIOSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001288983758 1262059860 /nfs/dbraw/zinc/05/98/60/1262059860.db2.gz YUJNDRKLGUKXRS-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001289523267 1262237440 /nfs/dbraw/zinc/23/74/40/1262237440.db2.gz IDWVASUBLJGLPZ-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP CO[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001289523267 1262237445 /nfs/dbraw/zinc/23/74/45/1262237445.db2.gz IDWVASUBLJGLPZ-BZUAXINKSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001580354991 1278158340 /nfs/dbraw/zinc/15/83/40/1278158340.db2.gz RFXPKLBFRVZVMP-IOASZLSFSA-N 2 2 370.461 0.544 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001580354991 1278158347 /nfs/dbraw/zinc/15/83/47/1278158347.db2.gz RFXPKLBFRVZVMP-IOASZLSFSA-N 2 2 370.461 0.544 20 0 FCADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC001580362951 1278167871 /nfs/dbraw/zinc/16/78/71/1278167871.db2.gz VADZMTVQHWOOOH-ZDUSSCGKSA-N 2 2 359.517 0.986 20 0 FCADLP NS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC001580364126 1278170977 /nfs/dbraw/zinc/17/09/77/1278170977.db2.gz GMQICJYQDMLLJJ-OAHLLOKOSA-N 2 2 352.504 0.846 20 0 FCADLP CC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001477686876 1263098861 /nfs/dbraw/zinc/09/88/61/1263098861.db2.gz ABCRKMBKMFPOTC-INIZCTEOSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316643722 1263391286 /nfs/dbraw/zinc/39/12/86/1263391286.db2.gz YQZCSYCMLRRKSW-BHYGNILZSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316643722 1263391299 /nfs/dbraw/zinc/39/12/99/1263391299.db2.gz YQZCSYCMLRRKSW-BHYGNILZSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@@H+]1C ZINC001580386122 1278206331 /nfs/dbraw/zinc/20/63/31/1278206331.db2.gz MMCBMQJCLGHBQR-CZUORRHYSA-N 2 2 369.473 0.850 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001580386122 1278206335 /nfs/dbraw/zinc/20/63/35/1278206335.db2.gz MMCBMQJCLGHBQR-CZUORRHYSA-N 2 2 369.473 0.850 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373506 1263685954 /nfs/dbraw/zinc/68/59/54/1263685954.db2.gz UEZKWNURLJIVHH-ZIAGYGMSSA-N 2 2 354.414 0.797 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)C1 ZINC001319373506 1263685962 /nfs/dbraw/zinc/68/59/62/1263685962.db2.gz UEZKWNURLJIVHH-ZIAGYGMSSA-N 2 2 354.414 0.797 20 0 FCADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC001320112399 1263764367 /nfs/dbraw/zinc/76/43/67/1263764367.db2.gz FXEGCPAAQOVVIS-UHFFFAOYSA-N 2 2 360.458 0.357 20 0 FCADLP Cn1cc([C@@H](CO)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001320225938 1263774603 /nfs/dbraw/zinc/77/46/03/1263774603.db2.gz IOCWGKBGHUUPPY-QGZVFWFLSA-N 2 2 364.494 0.311 20 0 FCADLP CN(CC1(O)CCOCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001320629706 1263831690 /nfs/dbraw/zinc/83/16/90/1263831690.db2.gz LOPKGQPOQYGHNU-UHFFFAOYSA-N 2 2 368.522 0.728 20 0 FCADLP COC[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001495977904 1263847005 /nfs/dbraw/zinc/84/70/05/1263847005.db2.gz FLHYFOVGFSEXMM-ARFHVFGLSA-N 2 2 362.474 0.455 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320913809 1263879897 /nfs/dbraw/zinc/87/98/97/1263879897.db2.gz QBUXXBHDNBAPQK-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnc(Cl)s1 ZINC001497057289 1263914081 /nfs/dbraw/zinc/91/40/81/1263914081.db2.gz HFPCECDINXRKQT-YUSALJHKSA-N 2 2 369.878 0.900 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC001321305342 1263934142 /nfs/dbraw/zinc/93/41/42/1263934142.db2.gz WFTZUDSSGHOKGC-GVDBMIGSSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(NC1CC1)[C@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440479 1263962480 /nfs/dbraw/zinc/96/24/80/1263962480.db2.gz NKSJWMWBIKSOHM-LIRRHRJNSA-N 2 2 362.474 0.851 20 0 FCADLP O=C(NC1CC1)[C@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC001321440479 1263962488 /nfs/dbraw/zinc/96/24/88/1263962488.db2.gz NKSJWMWBIKSOHM-LIRRHRJNSA-N 2 2 362.474 0.851 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](n4cncn4)C3)CC2)CC1 ZINC001321463328 1263966033 /nfs/dbraw/zinc/96/60/33/1263966033.db2.gz NQECNUPIRLPVGE-KRWDZBQOSA-N 2 2 361.494 0.793 20 0 FCADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC001321957262 1264109913 /nfs/dbraw/zinc/10/99/13/1264109913.db2.gz DQJIFIDQUZNEQN-HNNXBMFYSA-N 2 2 373.501 0.934 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC1 ZINC001322665824 1264238884 /nfs/dbraw/zinc/23/88/84/1264238884.db2.gz ORZGJZUNCIECAA-GOSISDBHSA-N 2 2 373.501 0.669 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC1 ZINC001322665824 1264238891 /nfs/dbraw/zinc/23/88/91/1264238891.db2.gz ORZGJZUNCIECAA-GOSISDBHSA-N 2 2 373.501 0.669 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001580400814 1278224270 /nfs/dbraw/zinc/22/42/70/1278224270.db2.gz OYDKVHJDIFBFKY-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCn1cc[nH+]c1 ZINC001580400908 1278225290 /nfs/dbraw/zinc/22/52/90/1278225290.db2.gz UDZSHYOAAAMRMF-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506599742 1264330399 /nfs/dbraw/zinc/33/03/99/1264330399.db2.gz IBLPIBICFVHQNZ-SPYBWZPUSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506599742 1264330410 /nfs/dbraw/zinc/33/04/10/1264330410.db2.gz IBLPIBICFVHQNZ-SPYBWZPUSA-N 2 2 361.490 0.956 20 0 FCADLP C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001323215669 1264368945 /nfs/dbraw/zinc/36/89/45/1264368945.db2.gz GBCIWELVRBZFIU-OAHLLOKOSA-N 2 2 370.538 0.384 20 0 FCADLP C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001323215669 1264368955 /nfs/dbraw/zinc/36/89/55/1264368955.db2.gz GBCIWELVRBZFIU-OAHLLOKOSA-N 2 2 370.538 0.384 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001323398768 1264421379 /nfs/dbraw/zinc/42/13/79/1264421379.db2.gz CIJRXZLQOSBHNT-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](CO)CCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001323716880 1264493869 /nfs/dbraw/zinc/49/38/69/1264493869.db2.gz UZUXVUYLNIJUGH-HNNXBMFYSA-N 2 2 368.522 0.186 20 0 FCADLP Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001511794019 1264585595 /nfs/dbraw/zinc/58/55/95/1264585595.db2.gz XIFHERYHJUIYAE-INIZCTEOSA-N 2 2 366.510 0.323 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ncccc1F ZINC001324739339 1264690932 /nfs/dbraw/zinc/69/09/32/1264690932.db2.gz KOSVGTIXPILRMJ-UHFFFAOYSA-N 2 2 365.453 0.321 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ncccc1F ZINC001324739339 1264690942 /nfs/dbraw/zinc/69/09/42/1264690942.db2.gz KOSVGTIXPILRMJ-UHFFFAOYSA-N 2 2 365.453 0.321 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001580402996 1278232771 /nfs/dbraw/zinc/23/27/71/1278232771.db2.gz HPSHBOAIYBGNLH-SNVBAGLBSA-N 2 2 358.381 0.566 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC[N@H+](C)C1 ZINC001325278156 1264833867 /nfs/dbraw/zinc/83/38/67/1264833867.db2.gz KZVWXTSIYZFKGE-CQSZACIVSA-N 2 2 357.414 0.753 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC[N@@H+](C)C1 ZINC001325278156 1264833877 /nfs/dbraw/zinc/83/38/77/1264833877.db2.gz KZVWXTSIYZFKGE-CQSZACIVSA-N 2 2 357.414 0.753 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001325338301 1264850755 /nfs/dbraw/zinc/85/07/55/1264850755.db2.gz JLGCCARIACGSCG-RDJZCZTQSA-N 2 2 362.474 0.118 20 0 FCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001325338301 1264850768 /nfs/dbraw/zinc/85/07/68/1264850768.db2.gz JLGCCARIACGSCG-RDJZCZTQSA-N 2 2 362.474 0.118 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001325632061 1264952335 /nfs/dbraw/zinc/95/23/35/1264952335.db2.gz LEVKGKHFAIOOBC-RHJCGQNESA-N 2 2 362.474 0.880 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001325632061 1264952339 /nfs/dbraw/zinc/95/23/39/1264952339.db2.gz LEVKGKHFAIOOBC-RHJCGQNESA-N 2 2 362.474 0.880 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001325632061 1264952348 /nfs/dbraw/zinc/95/23/48/1264952348.db2.gz LEVKGKHFAIOOBC-RHJCGQNESA-N 2 2 362.474 0.880 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001325632061 1264952357 /nfs/dbraw/zinc/95/23/57/1264952357.db2.gz LEVKGKHFAIOOBC-RHJCGQNESA-N 2 2 362.474 0.880 20 0 FCADLP COc1cccc(C[C@H](O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123629 1265062109 /nfs/dbraw/zinc/06/21/09/1265062109.db2.gz HJNSIXFRMCFKNC-LPHOPBHVSA-N 2 2 361.486 0.883 20 0 FCADLP COc1cccc(C[C@H](O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123629 1265062111 /nfs/dbraw/zinc/06/21/11/1265062111.db2.gz HJNSIXFRMCFKNC-LPHOPBHVSA-N 2 2 361.486 0.883 20 0 FCADLP COC1(CO)CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC001326730778 1265159641 /nfs/dbraw/zinc/15/96/41/1265159641.db2.gz ZLHXZTJOFCGNNS-UHFFFAOYSA-N 2 2 368.522 0.728 20 0 FCADLP C[C@H](CN1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001327498240 1265341896 /nfs/dbraw/zinc/34/18/96/1265341896.db2.gz FHWUFSWRGUYDOM-ACDBMABISA-N 2 2 366.550 0.436 20 0 FCADLP C[C@@H](CN1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001327498240 1265341907 /nfs/dbraw/zinc/34/19/07/1265341907.db2.gz FHWUFSWRGUYDOM-ACDBMABISA-N 2 2 366.550 0.436 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC001327531663 1265351366 /nfs/dbraw/zinc/35/13/66/1265351366.db2.gz UCRYQAIDBWHRMQ-QGZVFWFLSA-N 2 2 373.501 0.767 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@H+]3C)CC2)cc1 ZINC001333223155 1266559097 /nfs/dbraw/zinc/55/90/97/1266559097.db2.gz GUZKMRMNJTUBIN-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)cc1 ZINC001333223155 1266559108 /nfs/dbraw/zinc/55/91/08/1266559108.db2.gz GUZKMRMNJTUBIN-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C)CC2)cc1 ZINC001333223155 1266559118 /nfs/dbraw/zinc/55/91/18/1266559118.db2.gz GUZKMRMNJTUBIN-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CC[NH+]3C)CC2)cc1 ZINC001333223155 1266559130 /nfs/dbraw/zinc/55/91/30/1266559130.db2.gz GUZKMRMNJTUBIN-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c2ccccc2O1 ZINC001333630761 1266658514 /nfs/dbraw/zinc/65/85/14/1266658514.db2.gz KJDWEKNJPDIGLG-OLZOCXBDSA-N 2 2 355.460 0.104 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001527878002 1266933159 /nfs/dbraw/zinc/93/31/59/1266933159.db2.gz KQQWFBQIBVMHOX-MRXNPFEDSA-N 2 2 352.479 0.563 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001527878002 1266933167 /nfs/dbraw/zinc/93/31/67/1266933167.db2.gz KQQWFBQIBVMHOX-MRXNPFEDSA-N 2 2 352.479 0.563 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001529430757 1267061149 /nfs/dbraw/zinc/06/11/49/1267061149.db2.gz UWJUJQXIJQXGLS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001529430757 1267061159 /nfs/dbraw/zinc/06/11/59/1267061159.db2.gz UWJUJQXIJQXGLS-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001529775071 1267075603 /nfs/dbraw/zinc/07/56/03/1267075603.db2.gz KNHPVUKSOCKDDV-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001529775071 1267075615 /nfs/dbraw/zinc/07/56/15/1267075615.db2.gz KNHPVUKSOCKDDV-RHSMWYFYSA-N 2 2 361.490 0.800 20 0 FCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1)C2 ZINC001334720868 1267151100 /nfs/dbraw/zinc/15/11/00/1267151100.db2.gz LETXMWUXZLOEKM-PXNSSMCTSA-N 2 2 367.453 0.887 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccn(CCn4cccn4)n3)C2)CC1 ZINC001543235115 1267534072 /nfs/dbraw/zinc/53/40/72/1267534072.db2.gz TWAXXCPXHUDVSG-MRXNPFEDSA-N 2 2 371.489 0.678 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccn(CCn4cccn4)n3)C2)CC1 ZINC001543235115 1267534078 /nfs/dbraw/zinc/53/40/78/1267534078.db2.gz TWAXXCPXHUDVSG-MRXNPFEDSA-N 2 2 371.489 0.678 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001548419344 1267699018 /nfs/dbraw/zinc/69/90/18/1267699018.db2.gz AJYFVTDPESTXQE-IRXDYDNUSA-N 2 2 365.522 0.852 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001548419344 1267699028 /nfs/dbraw/zinc/69/90/28/1267699028.db2.gz AJYFVTDPESTXQE-IRXDYDNUSA-N 2 2 365.522 0.852 20 0 FCADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC001549117834 1267815990 /nfs/dbraw/zinc/81/59/90/1267815990.db2.gz TVOBTEBZVHPNHU-WBAXXEDZSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC001549117834 1267815999 /nfs/dbraw/zinc/81/59/99/1267815999.db2.gz TVOBTEBZVHPNHU-WBAXXEDZSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C1CC1 ZINC001549117834 1267816008 /nfs/dbraw/zinc/81/60/08/1267816008.db2.gz TVOBTEBZVHPNHU-WBAXXEDZSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C1CC1 ZINC001549117834 1267816021 /nfs/dbraw/zinc/81/60/21/1267816021.db2.gz TVOBTEBZVHPNHU-WBAXXEDZSA-N 2 2 361.490 0.782 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153251 1267831045 /nfs/dbraw/zinc/83/10/45/1267831045.db2.gz LWSHZBOBLAWFPT-YOEHRIQHSA-N 2 2 362.478 0.866 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153251 1267831053 /nfs/dbraw/zinc/83/10/53/1267831053.db2.gz LWSHZBOBLAWFPT-YOEHRIQHSA-N 2 2 362.478 0.866 20 0 FCADLP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCC(=O)N[C@@H]2c2c[nH+]cn2C)CC1 ZINC001549153396 1267831078 /nfs/dbraw/zinc/83/10/78/1267831078.db2.gz OZNGRPUTRPJSHH-PBHICJAKSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC001549152923 1267831547 /nfs/dbraw/zinc/83/15/47/1267831547.db2.gz GSCCYHOYPHDGNZ-WMLDXEAASA-N 2 2 362.478 0.771 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC001549160376 1267839266 /nfs/dbraw/zinc/83/92/66/1267839266.db2.gz VZBUSPYSNNZYRG-VBQJREDUSA-N 2 2 362.478 0.866 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC001549160376 1267839281 /nfs/dbraw/zinc/83/92/81/1267839281.db2.gz VZBUSPYSNNZYRG-VBQJREDUSA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001549163302 1267844390 /nfs/dbraw/zinc/84/43/90/1267844390.db2.gz VKQJGFZFOJXCGE-OWQGQXMQSA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001549163302 1267844395 /nfs/dbraw/zinc/84/43/95/1267844395.db2.gz VKQJGFZFOJXCGE-OWQGQXMQSA-N 2 2 360.462 0.477 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001549176333 1267853611 /nfs/dbraw/zinc/85/36/11/1267853611.db2.gz BZOIIHYPBICIRP-XCRHUMRWSA-N 2 2 360.462 0.525 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001549176602 1267853937 /nfs/dbraw/zinc/85/39/37/1267853937.db2.gz PLKBYPDKPBMUST-PBHICJAKSA-N 2 2 374.489 0.915 20 0 FCADLP Cc1cnn([C@@H]2[C@H](O)C[C@@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC001549190827 1267856642 /nfs/dbraw/zinc/85/66/42/1267856642.db2.gz XTMJTRHPUJDSNW-BBWFWOEESA-N 2 2 357.462 0.197 20 0 FCADLP C[NH+](C)[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@H]1n1ccnn1 ZINC001549560564 1267955798 /nfs/dbraw/zinc/95/57/98/1267955798.db2.gz VEKIVMDHKUNKQP-ARFHVFGLSA-N 2 2 372.477 0.411 20 0 FCADLP Cc1cccn2cc(CC(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC[NH2+]CC3)[nH+]c12 ZINC001549731449 1267981702 /nfs/dbraw/zinc/98/17/02/1267981702.db2.gz NXPFGPXMHLCWCY-VQIMIIECSA-N 2 2 369.469 0.948 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)nn1 ZINC001549751273 1267987912 /nfs/dbraw/zinc/98/79/12/1267987912.db2.gz RVPNDIZZQWXBSK-BPQIPLTHSA-N 2 2 370.457 0.283 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)nn1 ZINC001549751273 1267987918 /nfs/dbraw/zinc/98/79/18/1267987918.db2.gz RVPNDIZZQWXBSK-BPQIPLTHSA-N 2 2 370.457 0.283 20 0 FCADLP Cc1[nH+]ccn1CCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C ZINC001338733608 1268067070 /nfs/dbraw/zinc/06/70/70/1268067070.db2.gz HXUBHOUISVDEJN-MRXNPFEDSA-N 2 2 359.478 0.864 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550543887 1268129657 /nfs/dbraw/zinc/12/96/57/1268129657.db2.gz ZQMMQDWMKLBDFC-HZPDHXFCSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550543887 1268129662 /nfs/dbraw/zinc/12/96/62/1268129662.db2.gz ZQMMQDWMKLBDFC-HZPDHXFCSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543887 1268129664 /nfs/dbraw/zinc/12/96/64/1268129664.db2.gz ZQMMQDWMKLBDFC-HZPDHXFCSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC001550543887 1268129670 /nfs/dbraw/zinc/12/96/70/1268129670.db2.gz ZQMMQDWMKLBDFC-HZPDHXFCSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550543886 1268130391 /nfs/dbraw/zinc/13/03/91/1268130391.db2.gz ZQMMQDWMKLBDFC-HOTGVXAUSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550543886 1268130396 /nfs/dbraw/zinc/13/03/96/1268130396.db2.gz ZQMMQDWMKLBDFC-HOTGVXAUSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543886 1268130402 /nfs/dbraw/zinc/13/04/02/1268130402.db2.gz ZQMMQDWMKLBDFC-HOTGVXAUSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC001550543886 1268130406 /nfs/dbraw/zinc/13/04/06/1268130406.db2.gz ZQMMQDWMKLBDFC-HOTGVXAUSA-N 2 2 354.520 0.928 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550587289 1268138166 /nfs/dbraw/zinc/13/81/66/1268138166.db2.gz VGJGIVXAWINWLP-MLHJIOFPSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001550587289 1268138171 /nfs/dbraw/zinc/13/81/71/1268138171.db2.gz VGJGIVXAWINWLP-MLHJIOFPSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C12CCC2 ZINC001550594791 1268139476 /nfs/dbraw/zinc/13/94/76/1268139476.db2.gz BXOQWPYYDBVHJV-VVLHAWIVSA-N 2 2 351.491 0.855 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C2)cc1 ZINC001550728007 1268157702 /nfs/dbraw/zinc/15/77/02/1268157702.db2.gz XIMJQYKFKNIMFB-YRXWBPOGSA-N 2 2 359.470 0.831 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)C2)cc1 ZINC001550728007 1268157708 /nfs/dbraw/zinc/15/77/08/1268157708.db2.gz XIMJQYKFKNIMFB-YRXWBPOGSA-N 2 2 359.470 0.831 20 0 FCADLP C[C@@H]1CCCn2c(CC(=O)N3C[C@H](n4ccnn4)[C@@H]([NH+](C)C)C3)c[nH+]c21 ZINC001550869284 1268179766 /nfs/dbraw/zinc/17/97/66/1268179766.db2.gz YGYKZWNQORAHAR-KBMXLJTQSA-N 2 2 357.462 0.928 20 0 FCADLP C[NH+]1CCN(C2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C2)CC1 ZINC001339429000 1268236168 /nfs/dbraw/zinc/23/61/68/1268236168.db2.gz PPSQZYWLDWQYGI-UHFFFAOYSA-N 2 2 353.470 0.932 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560567 1268271150 /nfs/dbraw/zinc/27/11/50/1268271150.db2.gz LFFUTXPZAMOECW-HUUCEWRRSA-N 2 2 364.412 0.938 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560567 1268271156 /nfs/dbraw/zinc/27/11/56/1268271156.db2.gz LFFUTXPZAMOECW-HUUCEWRRSA-N 2 2 364.412 0.938 20 0 FCADLP CC(C)(CNC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[NH+]1CCOCC1 ZINC001551567712 1268273523 /nfs/dbraw/zinc/27/35/23/1268273523.db2.gz RYPQKMBFDFHKRL-GJZGRUSLSA-N 2 2 364.412 0.938 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC001551932657 1268312187 /nfs/dbraw/zinc/31/21/87/1268312187.db2.gz AYSFWWUOHXXFQY-LSDHHAIUSA-N 2 2 374.489 0.348 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(c2cc(N(C)C)nc[nH+]2)C1 ZINC001551932657 1268312194 /nfs/dbraw/zinc/31/21/94/1268312194.db2.gz AYSFWWUOHXXFQY-LSDHHAIUSA-N 2 2 374.489 0.348 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936238 1268314138 /nfs/dbraw/zinc/31/41/38/1268314138.db2.gz FVMBYRHHEHQNQW-OAGGEKHMSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936238 1268314145 /nfs/dbraw/zinc/31/41/45/1268314145.db2.gz FVMBYRHHEHQNQW-OAGGEKHMSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)nc[nH+]2)C1 ZINC001551942844 1268319769 /nfs/dbraw/zinc/31/97/69/1268319769.db2.gz YTCQIBSXJKNSCW-CABCVRRESA-N 2 2 374.489 0.645 20 0 FCADLP CO[C@@H]1CCCCN(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111987 1268378167 /nfs/dbraw/zinc/37/81/67/1268378167.db2.gz ZXAPRFYWMCOURU-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1CCCCN(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111987 1268378175 /nfs/dbraw/zinc/37/81/75/1268378175.db2.gz ZXAPRFYWMCOURU-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C[C@@H](C)O)n3C)CC2)CC1 ZINC001339978837 1268394205 /nfs/dbraw/zinc/39/42/05/1268394205.db2.gz HKHZLYINNGVPCF-OAHLLOKOSA-N 2 2 350.511 0.735 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C[C@@H](C)O)n3C)CC2)CC1 ZINC001339978837 1268394216 /nfs/dbraw/zinc/39/42/16/1268394216.db2.gz HKHZLYINNGVPCF-OAHLLOKOSA-N 2 2 350.511 0.735 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3COC4)c2)CC1 ZINC001552203545 1268409434 /nfs/dbraw/zinc/40/94/34/1268409434.db2.gz RFXRLFCEBVAAMQ-XLIONFOSSA-N 2 2 372.469 0.525 20 0 FCADLP C[N@@H+]1C[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@@H](c2ccccc2)C1 ZINC001552241222 1268420083 /nfs/dbraw/zinc/42/00/83/1268420083.db2.gz DXXLXHIPJKUZAQ-RTBURBONSA-N 2 2 368.485 0.768 20 0 FCADLP C[N@H+]1C[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)[C@@H](c2ccccc2)C1 ZINC001552241222 1268420085 /nfs/dbraw/zinc/42/00/85/1268420085.db2.gz DXXLXHIPJKUZAQ-RTBURBONSA-N 2 2 368.485 0.768 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@H]1NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC001552372551 1268454850 /nfs/dbraw/zinc/45/48/50/1268454850.db2.gz XEUSMOBBJKCCLA-PBHICJAKSA-N 2 2 372.429 0.899 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)Nc1cccc(OCC[NH3+])c1 ZINC001552372552 1268455223 /nfs/dbraw/zinc/45/52/23/1268455223.db2.gz XEUSMOBBJKCCLA-WMLDXEAASA-N 2 2 372.429 0.899 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435276 1268462530 /nfs/dbraw/zinc/46/25/30/1268462530.db2.gz CXTVTEHMIDXUIX-GDBMZVCRSA-N 3 2 361.494 0.019 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552435276 1268462535 /nfs/dbraw/zinc/46/25/35/1268462535.db2.gz CXTVTEHMIDXUIX-GDBMZVCRSA-N 3 2 361.494 0.019 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580502000 1278411249 /nfs/dbraw/zinc/41/12/49/1278411249.db2.gz PBVGVYKNHXHVRF-NSHDSACASA-N 2 2 354.418 0.735 20 0 FCADLP COc1cccc2c1CC[C@]2([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001340198461 1268468869 /nfs/dbraw/zinc/46/88/69/1268468869.db2.gz DFSXCBIBZONEST-HXUWFJFHSA-N 2 2 360.502 0.891 20 0 FCADLP COc1cccc2c1CC[C@]2([NH3+])C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001340198461 1268468873 /nfs/dbraw/zinc/46/88/73/1268468873.db2.gz DFSXCBIBZONEST-HXUWFJFHSA-N 2 2 360.502 0.891 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580501648 1278412142 /nfs/dbraw/zinc/41/21/42/1278412142.db2.gz LTSGQPKCHFZHHR-LLVKDONJSA-N 2 2 354.418 0.735 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001580502429 1278414116 /nfs/dbraw/zinc/41/41/16/1278414116.db2.gz WHTPDCJEFOIRBX-JTQLQIEISA-N 2 2 372.408 0.874 20 0 FCADLP O=C(CCNC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC001552832298 1268557026 /nfs/dbraw/zinc/55/70/26/1268557026.db2.gz BSABYHLHEACPQR-OXJNMPFZSA-N 2 2 371.485 0.769 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987009 1268573136 /nfs/dbraw/zinc/57/31/36/1268573136.db2.gz JIIOFRWJYASINL-HZPDHXFCSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987009 1268573144 /nfs/dbraw/zinc/57/31/44/1268573144.db2.gz JIIOFRWJYASINL-HZPDHXFCSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987009 1268573150 /nfs/dbraw/zinc/57/31/50/1268573150.db2.gz JIIOFRWJYASINL-HZPDHXFCSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@@H](O)C2)c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987009 1268573158 /nfs/dbraw/zinc/57/31/58/1268573158.db2.gz JIIOFRWJYASINL-HZPDHXFCSA-N 2 2 363.506 0.789 20 0 FCADLP O=C(CCC(=O)N1CCC2(C[NH2+]C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001340575170 1268590778 /nfs/dbraw/zinc/59/07/78/1268590778.db2.gz ZMOQYICOIBEAAC-UHFFFAOYSA-N 2 2 371.485 0.722 20 0 FCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)CC[C@H]21 ZINC001553122885 1268592661 /nfs/dbraw/zinc/59/26/61/1268592661.db2.gz OMWZFDWCLRAVNR-XDNAFOTISA-N 2 2 351.491 0.809 20 0 FCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C[NH+]4CCOCC4)O3)CC[C@H]21 ZINC001553122885 1268592667 /nfs/dbraw/zinc/59/26/67/1268592667.db2.gz OMWZFDWCLRAVNR-XDNAFOTISA-N 2 2 351.491 0.809 20 0 FCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553119643 1268593357 /nfs/dbraw/zinc/59/33/57/1268593357.db2.gz GFSIFHYVJYXDRQ-OWSLCNJRSA-N 2 2 351.491 0.951 20 0 FCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553119643 1268593361 /nfs/dbraw/zinc/59/33/61/1268593361.db2.gz GFSIFHYVJYXDRQ-OWSLCNJRSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC001553126689 1268594776 /nfs/dbraw/zinc/59/47/76/1268594776.db2.gz GDBOSXVGMAVDKY-IRXDYDNUSA-N 2 2 351.491 0.953 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553414794 1268647466 /nfs/dbraw/zinc/64/74/66/1268647466.db2.gz SIVXWAHBMJSTHR-NCOADZHNSA-N 2 2 359.474 0.228 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450243 1268653310 /nfs/dbraw/zinc/65/33/10/1268653310.db2.gz ITFIGLJHLBAEOG-RDJZCZTQSA-N 3 2 365.522 0.223 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC34CCOCC4)C2)CC1 ZINC001553450243 1268653319 /nfs/dbraw/zinc/65/33/19/1268653319.db2.gz ITFIGLJHLBAEOG-RDJZCZTQSA-N 3 2 365.522 0.223 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001553741326 1268693856 /nfs/dbraw/zinc/69/38/56/1268693856.db2.gz HABNTGNMAAYOHO-WMLDXEAASA-N 2 2 367.413 0.887 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H]1n1ccnn1 ZINC001553860314 1268729371 /nfs/dbraw/zinc/72/93/71/1268729371.db2.gz SVZZBFXDVBAKPP-JKSUJKDBSA-N 2 2 367.413 0.797 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)nn1 ZINC001554035131 1268745225 /nfs/dbraw/zinc/74/52/25/1268745225.db2.gz AUZIXQYHBNYBSU-HIFRSBDPSA-N 2 2 355.402 0.575 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001555580320 1268788185 /nfs/dbraw/zinc/78/81/85/1268788185.db2.gz IAYGMBWGDZJCRQ-MRXNPFEDSA-N 2 2 366.510 0.466 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001555580320 1268788190 /nfs/dbraw/zinc/78/81/90/1268788190.db2.gz IAYGMBWGDZJCRQ-MRXNPFEDSA-N 2 2 366.510 0.466 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001555580319 1268788440 /nfs/dbraw/zinc/78/84/40/1268788440.db2.gz IAYGMBWGDZJCRQ-INIZCTEOSA-N 2 2 366.510 0.466 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001555580319 1268788443 /nfs/dbraw/zinc/78/84/43/1268788443.db2.gz IAYGMBWGDZJCRQ-INIZCTEOSA-N 2 2 366.510 0.466 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](CCN3CCCS3(=O)=O)CC2)CC1 ZINC001559919833 1269181716 /nfs/dbraw/zinc/18/17/16/1269181716.db2.gz SJTPOJMBJGGEMC-UHFFFAOYSA-N 2 2 358.552 0.514 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](CCN3CCCS3(=O)=O)CC2)CC1 ZINC001559919833 1269181722 /nfs/dbraw/zinc/18/17/22/1269181722.db2.gz SJTPOJMBJGGEMC-UHFFFAOYSA-N 2 2 358.552 0.514 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(CCN3CCCS3(=O)=O)CC2)CC1 ZINC001559919833 1269181726 /nfs/dbraw/zinc/18/17/26/1269181726.db2.gz SJTPOJMBJGGEMC-UHFFFAOYSA-N 2 2 358.552 0.514 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(CCN3CCCS3(=O)=O)CC2)CC1 ZINC001559919833 1269181730 /nfs/dbraw/zinc/18/17/30/1269181730.db2.gz SJTPOJMBJGGEMC-UHFFFAOYSA-N 2 2 358.552 0.514 20 0 FCADLP O=C(C[NH2+][C@H](CCO)c1ccccc1Br)N1CC[NH2+]CC1 ZINC001580553619 1278485259 /nfs/dbraw/zinc/48/52/59/1278485259.db2.gz YXBIDLBXKLONHJ-CQSZACIVSA-N 2 2 356.264 0.894 20 0 FCADLP COCn1ncc(C)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001343077020 1269759811 /nfs/dbraw/zinc/75/98/11/1269759811.db2.gz IZPIMNJBADUKMN-QGZVFWFLSA-N 2 2 351.495 0.682 20 0 FCADLP CN(C(=O)C(=O)NC(C1CC1)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001344917699 1270277642 /nfs/dbraw/zinc/27/76/42/1270277642.db2.gz ORHZVRASYNHKPU-QGZVFWFLSA-N 2 2 362.518 0.918 20 0 FCADLP CN(C(=O)C(=O)NC(C1CC1)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001344917699 1270277648 /nfs/dbraw/zinc/27/76/48/1270277648.db2.gz ORHZVRASYNHKPU-QGZVFWFLSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026490 1271004830 /nfs/dbraw/zinc/00/48/30/1271004830.db2.gz BSHALDQSFFGUJU-JKSUJKDBSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574026490 1271004836 /nfs/dbraw/zinc/00/48/36/1271004836.db2.gz BSHALDQSFFGUJU-JKSUJKDBSA-N 2 2 372.477 0.721 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251659 1271119215 /nfs/dbraw/zinc/11/92/15/1271119215.db2.gz HQUJCHIAJLRFDC-ZDUSSCGKSA-N 2 2 358.450 0.639 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001574251659 1271119221 /nfs/dbraw/zinc/11/92/21/1271119221.db2.gz HQUJCHIAJLRFDC-ZDUSSCGKSA-N 2 2 358.450 0.639 20 0 FCADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574890617 1271652732 /nfs/dbraw/zinc/65/27/32/1271652732.db2.gz QMTVMGUVSPSDPO-RYUDHWBXSA-N 2 2 355.406 0.448 20 0 FCADLP CC(C)(C)OC(=O)[C@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149898 1271749250 /nfs/dbraw/zinc/74/92/50/1271749250.db2.gz OUJZIFFZPCADGA-FZKQIMNGSA-N 2 2 355.479 0.676 20 0 FCADLP CC(C)(C)OC(=O)[C@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149898 1271749262 /nfs/dbraw/zinc/74/92/62/1271749262.db2.gz OUJZIFFZPCADGA-FZKQIMNGSA-N 2 2 355.479 0.676 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH2+]CCN(CCC[NH+]2CCOCC2)CC1 ZINC001575198984 1271781841 /nfs/dbraw/zinc/78/18/41/1271781841.db2.gz UUNFCIPPSDPZQD-UHFFFAOYSA-N 2 2 356.511 0.851 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276076 1271867328 /nfs/dbraw/zinc/86/73/28/1271867328.db2.gz ONHCIQVQEGEXMW-YOEHRIQHSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CC[NH+]2CCc2cn[nH]n2)C1 ZINC001575276076 1271867334 /nfs/dbraw/zinc/86/73/34/1271867334.db2.gz ONHCIQVQEGEXMW-YOEHRIQHSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@@H+]2CCc2cn[nH]n2)C1 ZINC001575276076 1271867339 /nfs/dbraw/zinc/86/73/39/1271867339.db2.gz ONHCIQVQEGEXMW-YOEHRIQHSA-N 2 2 352.458 0.750 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@H+]2CCc2cn[nH]n2)C1 ZINC001575276076 1271867345 /nfs/dbraw/zinc/86/73/45/1271867345.db2.gz ONHCIQVQEGEXMW-YOEHRIQHSA-N 2 2 352.458 0.750 20 0 FCADLP C[C@@H](C[C@H](C)[NH2+]Cc1c[nH]nn1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001575509463 1272173600 /nfs/dbraw/zinc/17/36/00/1272173600.db2.gz IGPDMJKCLRHHTD-KBPBESRZSA-N 2 2 352.483 0.536 20 0 FCADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001575619072 1272237960 /nfs/dbraw/zinc/23/79/60/1272237960.db2.gz TYJHSVSMBMTZEE-KSSFIOAISA-N 2 2 357.495 0.779 20 0 FCADLP CC(C)Cc1nnc(N2CC[NH2+][C@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001575666828 1272279396 /nfs/dbraw/zinc/27/93/96/1272279396.db2.gz QAUKBSUYUFQQIC-HZPDHXFCSA-N 2 2 350.511 0.995 20 0 FCADLP CC(C)[NH+](CCNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1)C(C)C ZINC001575690296 1272302705 /nfs/dbraw/zinc/30/27/05/1272302705.db2.gz GTUPAYPYDIKHEN-GOSISDBHSA-N 2 2 357.495 0.922 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575994589 1272664693 /nfs/dbraw/zinc/66/46/93/1272664693.db2.gz YHLKDXPOHDNCPJ-ZIAGYGMSSA-N 2 2 370.461 0.831 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576017520 1272717831 /nfs/dbraw/zinc/71/78/31/1272717831.db2.gz AHRQUMLNJNPEKC-IUODEOHRSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020673 1272721421 /nfs/dbraw/zinc/72/14/21/1272721421.db2.gz GKDMYMYVDONTPA-ZFWWWQNUSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC001576163757 1272971300 /nfs/dbraw/zinc/97/13/00/1272971300.db2.gz BSZNTVJVFCVVSY-PBHICJAKSA-N 2 2 350.463 0.541 20 0 FCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576259378 1273048039 /nfs/dbraw/zinc/04/80/39/1273048039.db2.gz FZQZJHUFINSREP-LRDDRELGSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576261506 1273052726 /nfs/dbraw/zinc/05/27/26/1273052726.db2.gz KUEZDJHDCXCPIA-LRDDRELGSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001576271373 1273073248 /nfs/dbraw/zinc/07/32/48/1273073248.db2.gz RLIVAWFEFGUDHZ-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP CC[C@H](C(=O)N(C)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)[NH+](C)C ZINC001576483310 1273323169 /nfs/dbraw/zinc/32/31/69/1273323169.db2.gz SWBINIHXLMIAGV-MRXNPFEDSA-N 2 2 357.462 0.850 20 0 FCADLP CC[C@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501096 1273365153 /nfs/dbraw/zinc/36/51/53/1273365153.db2.gz UUMPWHFCHMQNEF-UKRRQHHQSA-N 2 2 372.477 0.935 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557611 1273436642 /nfs/dbraw/zinc/43/66/42/1273436642.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557611 1273436646 /nfs/dbraw/zinc/43/66/46/1273436646.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557611 1273436648 /nfs/dbraw/zinc/43/66/48/1273436648.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCc3cn[nH]n3)CC2(C)C)C1 ZINC001576557611 1273436654 /nfs/dbraw/zinc/43/66/54/1273436654.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557611 1273436656 /nfs/dbraw/zinc/43/66/56/1273436656.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557611 1273436660 /nfs/dbraw/zinc/43/66/60/1273436660.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557611 1273436664 /nfs/dbraw/zinc/43/66/64/1273436664.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCc3c[nH]nn3)CC2(C)C)C1 ZINC001576557611 1273436671 /nfs/dbraw/zinc/43/66/71/1273436671.db2.gz RZRPBYDFHGLQLX-HZPDHXFCSA-N 2 2 364.494 0.285 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(Cc3c[nH]nn3)CC2)CC[N@@H+]1C ZINC001576608650 1273477204 /nfs/dbraw/zinc/47/72/04/1273477204.db2.gz GRSHQRXWPXWBEE-DLBZAZTESA-N 2 2 363.510 0.159 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(Cc3c[nH]nn3)CC2)CC[N@H+]1C ZINC001576608650 1273477210 /nfs/dbraw/zinc/47/72/10/1273477210.db2.gz GRSHQRXWPXWBEE-DLBZAZTESA-N 2 2 363.510 0.159 20 0 FCADLP C[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[C@@H]1C[NH3+] ZINC001576700811 1273567732 /nfs/dbraw/zinc/56/77/32/1273567732.db2.gz WGEFHJCBTIQXPW-INMHGKMJSA-N 2 2 356.536 0.963 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+]Cc3c[nH]nn3)CCCCC2)n1 ZINC001576750148 1273618964 /nfs/dbraw/zinc/61/89/64/1273618964.db2.gz MTAJDOGXBIELAR-UHFFFAOYSA-N 2 2 374.493 0.785 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+]Cc3cn[nH]n3)CCCCC2)n1 ZINC001576750148 1273618972 /nfs/dbraw/zinc/61/89/72/1273618972.db2.gz MTAJDOGXBIELAR-UHFFFAOYSA-N 2 2 374.493 0.785 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cnn[nH]2)C3)n1 ZINC001576750744 1273622500 /nfs/dbraw/zinc/62/25/00/1273622500.db2.gz SSRKHHBEEMOBEG-LZWOXQAQSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cnn[nH]2)C3)n1 ZINC001576750744 1273622508 /nfs/dbraw/zinc/62/25/08/1273622508.db2.gz SSRKHHBEEMOBEG-LZWOXQAQSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2c[nH]nn2)C3)n1 ZINC001576750744 1273622520 /nfs/dbraw/zinc/62/25/20/1273622520.db2.gz SSRKHHBEEMOBEG-LZWOXQAQSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2c[nH]nn2)C3)n1 ZINC001576750744 1273622539 /nfs/dbraw/zinc/62/25/39/1273622539.db2.gz SSRKHHBEEMOBEG-LZWOXQAQSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2cn[nH]n2)C3)n1 ZINC001576750744 1273622554 /nfs/dbraw/zinc/62/25/54/1273622554.db2.gz SSRKHHBEEMOBEG-LZWOXQAQSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cn[nH]n2)C3)n1 ZINC001576750744 1273622562 /nfs/dbraw/zinc/62/25/62/1273622562.db2.gz SSRKHHBEEMOBEG-LZWOXQAQSA-N 2 2 372.477 0.346 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576835578 1273765923 /nfs/dbraw/zinc/76/59/23/1273765923.db2.gz PGHCUIUUTXLTOR-AWEZNQCLSA-N 2 2 354.418 0.817 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576836331 1273771311 /nfs/dbraw/zinc/77/13/11/1273771311.db2.gz LZDFPHPULTWUOS-CQSZACIVSA-N 2 2 354.418 0.817 20 0 FCADLP CN(CC[N@H+](C)CCc1c[nH]nn1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576849401 1273799450 /nfs/dbraw/zinc/79/94/50/1273799450.db2.gz UDWOHLDABVTNRM-UHFFFAOYSA-N 2 2 361.450 0.635 20 0 FCADLP CN(CC[N@@H+](C)CCc1c[nH]nn1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576849401 1273799455 /nfs/dbraw/zinc/79/94/55/1273799455.db2.gz UDWOHLDABVTNRM-UHFFFAOYSA-N 2 2 361.450 0.635 20 0 FCADLP CN(CC[N@H+](C)CCc1cn[nH]n1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576849401 1273799458 /nfs/dbraw/zinc/79/94/58/1273799458.db2.gz UDWOHLDABVTNRM-UHFFFAOYSA-N 2 2 361.450 0.635 20 0 FCADLP CN(CC[N@@H+](C)CCc1cn[nH]n1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001576849401 1273799465 /nfs/dbraw/zinc/79/94/65/1273799465.db2.gz UDWOHLDABVTNRM-UHFFFAOYSA-N 2 2 361.450 0.635 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@@H]1CCOC1 ZINC001576860749 1273823248 /nfs/dbraw/zinc/82/32/48/1273823248.db2.gz LIBSRZZFXRRFJI-LVQVYYBASA-N 2 2 364.494 0.429 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)[C@@H]1CCOC1 ZINC001576860749 1273823259 /nfs/dbraw/zinc/82/32/59/1273823259.db2.gz LIBSRZZFXRRFJI-LVQVYYBASA-N 2 2 364.494 0.429 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906185 1273916035 /nfs/dbraw/zinc/91/60/35/1273916035.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906185 1273916041 /nfs/dbraw/zinc/91/60/41/1273916041.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906185 1273916047 /nfs/dbraw/zinc/91/60/47/1273916047.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCC1(F)F ZINC001576906185 1273916053 /nfs/dbraw/zinc/91/60/53/1273916053.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906185 1273916061 /nfs/dbraw/zinc/91/60/61/1273916061.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906185 1273916067 /nfs/dbraw/zinc/91/60/67/1273916067.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906185 1273916072 /nfs/dbraw/zinc/91/60/72/1273916072.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCC1(F)F ZINC001576906185 1273916076 /nfs/dbraw/zinc/91/60/76/1273916076.db2.gz OJRIWEZPDCBGDZ-ZFWWWQNUSA-N 2 2 370.448 0.905 20 0 FCADLP CCCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC001577492376 1274450438 /nfs/dbraw/zinc/45/04/38/1274450438.db2.gz QZFABSLFFZZWRE-INIZCTEOSA-N 2 2 350.467 0.821 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577571759 1274535673 /nfs/dbraw/zinc/53/56/73/1274535673.db2.gz JPWHTQVJSSLPNS-KKBVYLPWSA-N 2 2 355.446 0.161 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CCc4cn[nH]n4)C[C@H]31)C2 ZINC001577571759 1274535679 /nfs/dbraw/zinc/53/56/79/1274535679.db2.gz JPWHTQVJSSLPNS-KKBVYLPWSA-N 2 2 355.446 0.161 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1[C@H]3C[N@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577571759 1274535688 /nfs/dbraw/zinc/53/56/88/1274535688.db2.gz JPWHTQVJSSLPNS-KKBVYLPWSA-N 2 2 355.446 0.161 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1[C@H]3C[N@@H+](CCc4c[nH]nn4)C[C@H]31)C2 ZINC001577571759 1274535697 /nfs/dbraw/zinc/53/56/97/1274535697.db2.gz JPWHTQVJSSLPNS-KKBVYLPWSA-N 2 2 355.446 0.161 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758314 1274838158 /nfs/dbraw/zinc/83/81/58/1274838158.db2.gz KLELZHIHVPWPBD-WBVHZDCISA-N 2 2 362.478 0.181 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001577758314 1274838165 /nfs/dbraw/zinc/83/81/65/1274838165.db2.gz KLELZHIHVPWPBD-WBVHZDCISA-N 2 2 362.478 0.181 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577895960 1275106633 /nfs/dbraw/zinc/10/66/33/1275106633.db2.gz VYSZYCUXFCFIIW-CYBMUJFWSA-N 2 2 358.450 0.689 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951938 1275173323 /nfs/dbraw/zinc/17/33/23/1275173323.db2.gz FOXUHKMAYSJDHF-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951938 1275173329 /nfs/dbraw/zinc/17/33/29/1275173329.db2.gz FOXUHKMAYSJDHF-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951938 1275173331 /nfs/dbraw/zinc/17/33/31/1275173331.db2.gz FOXUHKMAYSJDHF-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001577951938 1275173336 /nfs/dbraw/zinc/17/33/36/1275173336.db2.gz FOXUHKMAYSJDHF-INIZCTEOSA-N 2 2 373.461 0.135 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001578031971 1275308434 /nfs/dbraw/zinc/30/84/34/1275308434.db2.gz GVPUUEMGEUDLHO-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001578031971 1275308442 /nfs/dbraw/zinc/30/84/42/1275308442.db2.gz GVPUUEMGEUDLHO-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001578139017 1275437409 /nfs/dbraw/zinc/43/74/09/1275437409.db2.gz QJKZIVGROOTWGH-HUUCEWRRSA-N 2 2 352.483 0.463 20 0 FCADLP CCOCc1nnc(N2CCC[C@@H]([NH3+])C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001578139017 1275437410 /nfs/dbraw/zinc/43/74/10/1275437410.db2.gz QJKZIVGROOTWGH-HUUCEWRRSA-N 2 2 352.483 0.463 20 0 FCADLP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580815524 1278982677 /nfs/dbraw/zinc/98/26/77/1278982677.db2.gz JYLFYDAZCGMWAN-UHFFFAOYSA-N 2 2 354.458 0.725 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529452 1275961569 /nfs/dbraw/zinc/96/15/69/1275961569.db2.gz VCXYBKIZVHTCRQ-PMUMKWKESA-N 2 2 353.463 0.382 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529452 1275961578 /nfs/dbraw/zinc/96/15/78/1275961578.db2.gz VCXYBKIZVHTCRQ-PMUMKWKESA-N 2 2 353.463 0.382 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532677 1275963547 /nfs/dbraw/zinc/96/35/47/1275963547.db2.gz RCWWSTPBQQVHQL-ZIAGYGMSSA-N 2 2 355.483 0.574 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532677 1275963553 /nfs/dbraw/zinc/96/35/53/1275963553.db2.gz RCWWSTPBQQVHQL-ZIAGYGMSSA-N 2 2 355.483 0.574 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001578616908 1276053344 /nfs/dbraw/zinc/05/33/44/1276053344.db2.gz XQMZBBNKRKWQPU-OWCLPIDISA-N 2 2 364.494 0.301 20 0 FCADLP C[NH2+][C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001578616908 1276053354 /nfs/dbraw/zinc/05/33/54/1276053354.db2.gz XQMZBBNKRKWQPU-OWCLPIDISA-N 2 2 364.494 0.301 20 0 FCADLP COC(=O)[C@H]1C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC12C[NH2+]C2 ZINC001578798138 1276286221 /nfs/dbraw/zinc/28/62/21/1276286221.db2.gz XAPJIXQWUHLBKS-CYBMUJFWSA-N 2 2 357.451 0.222 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC12C[NH2+]C2 ZINC001578798138 1276286225 /nfs/dbraw/zinc/28/62/25/1276286225.db2.gz XAPJIXQWUHLBKS-CYBMUJFWSA-N 2 2 357.451 0.222 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001578814663 1276308112 /nfs/dbraw/zinc/30/81/12/1276308112.db2.gz CEGCVTXZWQMCLU-INIZCTEOSA-N 2 2 356.426 0.769 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001578887010 1276421628 /nfs/dbraw/zinc/42/16/28/1276421628.db2.gz PEFSLHHJHJLIJO-UHFFFAOYSA-N 2 2 372.458 0.904 20 0 FCADLP COC(=O)c1sccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578890900 1276423283 /nfs/dbraw/zinc/42/32/83/1276423283.db2.gz JGRCWOJNHQIAMV-UPJWGTAASA-N 2 2 351.428 0.902 20 0 FCADLP COC(=O)c1sccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578890900 1276423292 /nfs/dbraw/zinc/42/32/92/1276423292.db2.gz JGRCWOJNHQIAMV-UPJWGTAASA-N 2 2 351.428 0.902 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001578991234 1276565697 /nfs/dbraw/zinc/56/56/97/1276565697.db2.gz QZQRAHFYTDPJPA-DLBZAZTESA-N 2 2 371.489 0.970 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[nH]n2)c1 ZINC001578991234 1276565703 /nfs/dbraw/zinc/56/57/03/1276565703.db2.gz QZQRAHFYTDPJPA-DLBZAZTESA-N 2 2 371.489 0.970 20 0 FCADLP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579133964 1276834991 /nfs/dbraw/zinc/83/49/91/1276834991.db2.gz HAAWRKWGPMEERU-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579133964 1276834999 /nfs/dbraw/zinc/83/49/99/1276834999.db2.gz HAAWRKWGPMEERU-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001579136878 1276839386 /nfs/dbraw/zinc/83/93/86/1276839386.db2.gz NLAVKTNUOSSANM-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001579136878 1276839406 /nfs/dbraw/zinc/83/94/06/1276839406.db2.gz NLAVKTNUOSSANM-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001579151318 1276889533 /nfs/dbraw/zinc/88/95/33/1276889533.db2.gz YZWCYPWDHSZQEO-HNNXBMFYSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CCN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001579151318 1276889535 /nfs/dbraw/zinc/88/95/35/1276889535.db2.gz YZWCYPWDHSZQEO-HNNXBMFYSA-N 2 2 358.450 0.641 20 0 FCADLP CN(CC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)CCn1cc[nH+]c1 ZINC001579205409 1276993936 /nfs/dbraw/zinc/99/39/36/1276993936.db2.gz XRDPMTIUSSHTCB-UHFFFAOYSA-N 2 2 372.408 0.841 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001579281327 1277098632 /nfs/dbraw/zinc/09/86/32/1277098632.db2.gz AEGNJKQIMQQQEL-AWEZNQCLSA-N 2 2 370.461 0.785 20 0 FCADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579322822 1277138085 /nfs/dbraw/zinc/13/80/85/1277138085.db2.gz HWBATJPENYBZCI-AWEZNQCLSA-N 2 2 355.446 0.461 20 0 FCADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579322822 1277138086 /nfs/dbraw/zinc/13/80/86/1277138086.db2.gz HWBATJPENYBZCI-AWEZNQCLSA-N 2 2 355.446 0.461 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579340798 1277187349 /nfs/dbraw/zinc/18/73/49/1277187349.db2.gz BXQUAPUFLRKBLJ-MRXNPFEDSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001579340798 1277187352 /nfs/dbraw/zinc/18/73/52/1277187352.db2.gz BXQUAPUFLRKBLJ-MRXNPFEDSA-N 2 2 369.473 0.853 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359354 1277231499 /nfs/dbraw/zinc/23/14/99/1277231499.db2.gz SWYULWUPRYHSTC-HNNXBMFYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579359354 1277231501 /nfs/dbraw/zinc/23/15/01/1277231501.db2.gz SWYULWUPRYHSTC-HNNXBMFYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579359478 1277231987 /nfs/dbraw/zinc/23/19/87/1277231987.db2.gz VRKNYENEKKDOBT-OEYIWLLWSA-N 2 2 368.445 0.154 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001579359478 1277231996 /nfs/dbraw/zinc/23/19/96/1277231996.db2.gz VRKNYENEKKDOBT-OEYIWLLWSA-N 2 2 368.445 0.154 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361005 1277235842 /nfs/dbraw/zinc/23/58/42/1277235842.db2.gz LJBNEQSUGFXLIO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361005 1277235846 /nfs/dbraw/zinc/23/58/46/1277235846.db2.gz LJBNEQSUGFXLIO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361005 1277235848 /nfs/dbraw/zinc/23/58/48/1277235848.db2.gz LJBNEQSUGFXLIO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579361005 1277235855 /nfs/dbraw/zinc/23/58/55/1277235855.db2.gz LJBNEQSUGFXLIO-CZUORRHYSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579372075 1277254438 /nfs/dbraw/zinc/25/44/38/1277254438.db2.gz BOEOJGPGAMTAPJ-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579372075 1277254439 /nfs/dbraw/zinc/25/44/39/1277254439.db2.gz BOEOJGPGAMTAPJ-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@]23C[NH2+]C[C@@H]2CCOC3)cn1 ZINC001579961110 1277980162 /nfs/dbraw/zinc/98/01/62/1277980162.db2.gz BGJMRIFFUUHIPS-FUHWJXTLSA-N 2 2 358.446 0.272 20 0 FCADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001579963764 1277980414 /nfs/dbraw/zinc/98/04/14/1277980414.db2.gz WWFHQJLHQVWMFN-LLVKDONJSA-N 2 2 370.417 0.435 20 0 FCADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CCn1cc[nH+]c1 ZINC001580271849 1278065636 /nfs/dbraw/zinc/06/56/36/1278065636.db2.gz UDZSHYOAAAMRMF-LBPRGKRZSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1cc[nH+]c1 ZINC001580277236 1278073347 /nfs/dbraw/zinc/07/33/47/1278073347.db2.gz JTEVUCVFXKHJDP-NSHDSACASA-N 2 2 360.447 0.809 20 0 FCADLP O=S(=O)(C1C[NH+](C[C@@H]2CCCC23CCOCC3)C1)N1CC[NH2+]CC1 ZINC001580860784 1279056392 /nfs/dbraw/zinc/05/63/92/1279056392.db2.gz MATDJEDMHIGYSH-HNNXBMFYSA-N 2 2 357.520 0.503 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580943213 1279151489 /nfs/dbraw/zinc/15/14/89/1279151489.db2.gz AKYTZYPFJGBMQC-NSHDSACASA-N 2 2 369.433 0.785 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580987767 1279185019 /nfs/dbraw/zinc/18/50/19/1279185019.db2.gz DOCHFIFPSREPRV-RYUDHWBXSA-N 2 2 369.433 0.502 20 0 FCADLP Cc1cc(N[C@H](C)CNC(=O)CCCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995935 1279208006 /nfs/dbraw/zinc/20/80/06/1279208006.db2.gz RVHWMOZDCSIJRC-CYBMUJFWSA-N 2 2 369.433 0.586 20 0 FCADLP Cc1cc(NC[C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011301 1279237370 /nfs/dbraw/zinc/23/73/70/1279237370.db2.gz HUPCGNVMSHCMRM-LLVKDONJSA-N 2 2 355.406 0.217 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001581012234 1279238642 /nfs/dbraw/zinc/23/86/42/1279238642.db2.gz RFWWJTLMTKTCBM-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001581012234 1279238644 /nfs/dbraw/zinc/23/86/44/1279238644.db2.gz RFWWJTLMTKTCBM-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581013355 1279240389 /nfs/dbraw/zinc/24/03/89/1279240389.db2.gz NLRUEEQDDCJOEO-SNVBAGLBSA-N 2 2 369.433 0.430 20 0 FCADLP Cc1cc(NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581022819 1279253721 /nfs/dbraw/zinc/25/37/21/1279253721.db2.gz HQDGXPZAGWUJRX-ZDUSSCGKSA-N 2 2 367.417 0.149 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581027286 1279261268 /nfs/dbraw/zinc/26/12/68/1279261268.db2.gz OVEQEGXTPKRQPE-UHFFFAOYSA-N 2 2 355.406 0.115 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001603298427 1287348709 /nfs/dbraw/zinc/34/87/09/1287348709.db2.gz OPVVBLQMSPVENE-KRWDZBQOSA-N 2 2 374.489 0.973 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318763 1287354333 /nfs/dbraw/zinc/35/43/33/1287354333.db2.gz UOVBQPXKTZLFSI-CQSZACIVSA-N 2 2 372.477 0.935 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001603318763 1287354339 /nfs/dbraw/zinc/35/43/39/1287354339.db2.gz UOVBQPXKTZLFSI-CQSZACIVSA-N 2 2 372.477 0.935 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581338444 1279717271 /nfs/dbraw/zinc/71/72/71/1279717271.db2.gz KMPIHNZSWOJWQE-NSHDSACASA-N 2 2 355.406 0.195 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581338450 1279717644 /nfs/dbraw/zinc/71/76/44/1279717644.db2.gz KRZPZJWLIKQGFI-UHFFFAOYSA-N 2 2 366.429 0.620 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581340929 1279724276 /nfs/dbraw/zinc/72/42/76/1279724276.db2.gz XNGFUIMFISTMGD-SNVBAGLBSA-N 2 2 360.447 0.728 20 0 FCADLP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)nn1 ZINC001716695373 1287387185 /nfs/dbraw/zinc/38/71/85/1287387185.db2.gz QZZWWWJBGDMPNG-ZIAGYGMSSA-N 2 2 356.430 0.761 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001581562632 1280137802 /nfs/dbraw/zinc/13/78/02/1280137802.db2.gz BHPYELCTRYPPOP-UHFFFAOYSA-N 2 2 366.429 0.716 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581563522 1280141680 /nfs/dbraw/zinc/14/16/80/1280141680.db2.gz OZIANOFHICQQMW-NSHDSACASA-N 2 2 355.406 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581564731 1280143447 /nfs/dbraw/zinc/14/34/47/1280143447.db2.gz XAEPEEKLXFMTEV-UHFFFAOYSA-N 2 2 366.429 0.716 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581565351 1280145296 /nfs/dbraw/zinc/14/52/96/1280145296.db2.gz LXEPNDPSFTXBPQ-JOCQHMNTSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581565246 1280145830 /nfs/dbraw/zinc/14/58/30/1280145830.db2.gz FWNUAGKRHMDGIQ-UHFFFAOYSA-N 2 2 369.433 0.539 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCS(C)(=O)=O)CCC1 ZINC001717157620 1287410508 /nfs/dbraw/zinc/41/05/08/1287410508.db2.gz SDLOBVYTCXLVAS-CHWSQXEVSA-N 2 2 354.476 0.197 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001603590033 1287428939 /nfs/dbraw/zinc/42/89/39/1287428939.db2.gz ACDDFJRABBSMEQ-GFCCVEGCSA-N 2 2 361.431 0.515 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581814458 1280558817 /nfs/dbraw/zinc/55/88/17/1280558817.db2.gz ODROEGOWOHGCIS-NSHDSACASA-N 2 2 372.458 0.595 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603591186 1287430958 /nfs/dbraw/zinc/43/09/58/1287430958.db2.gz ZEBBUSYIGOLRTH-ABAIWWIYSA-N 2 2 352.402 0.455 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582089008 1281042559 /nfs/dbraw/zinc/04/25/59/1281042559.db2.gz QYZZKWZDFWGLEC-LBPRGKRZSA-N 2 2 353.390 0.243 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582097465 1281052426 /nfs/dbraw/zinc/05/24/26/1281052426.db2.gz GQFBEONEIIMNSL-STQMWFEESA-N 2 2 354.418 0.147 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582097807 1281053930 /nfs/dbraw/zinc/05/39/30/1281053930.db2.gz OHEBOANSVHVXMU-ZDUSSCGKSA-N 2 2 356.434 0.182 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC1CC(Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099747 1281056980 /nfs/dbraw/zinc/05/69/80/1281056980.db2.gz ZYTDSLQCFVEPRS-UHFFFAOYSA-N 2 2 356.434 0.086 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582101007 1281058360 /nfs/dbraw/zinc/05/83/60/1281058360.db2.gz ZAYFFIAVJXKSTH-ZDUSSCGKSA-N 2 2 356.434 0.300 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582169837 1281136996 /nfs/dbraw/zinc/13/69/96/1281136996.db2.gz GNASZHWSNNGDNV-MRXNPFEDSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582182935 1281159911 /nfs/dbraw/zinc/15/99/11/1281159911.db2.gz MMZMVDQMQFHAJB-UHFFFAOYSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582183811 1281161828 /nfs/dbraw/zinc/16/18/28/1281161828.db2.gz JUAIOLLEYVKFCJ-UPHRSURJSA-N 2 2 352.402 0.595 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582183810 1281163023 /nfs/dbraw/zinc/16/30/23/1281163023.db2.gz JUAIOLLEYVKFCJ-OWOJBTEDSA-N 2 2 352.402 0.595 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582195179 1281175712 /nfs/dbraw/zinc/17/57/12/1281175712.db2.gz NXVLRMSVJBLEAH-INIZCTEOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001582195869 1281177056 /nfs/dbraw/zinc/17/70/56/1281177056.db2.gz AOXLCHGKRBSJEV-ZDUSSCGKSA-N 2 2 372.458 0.809 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197284 1281180361 /nfs/dbraw/zinc/18/03/61/1281180361.db2.gz KNAIIOGJYQPUIE-UHFFFAOYSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001582196955 1281181135 /nfs/dbraw/zinc/18/11/35/1281181135.db2.gz YTHBWANAHAHDPG-UHFFFAOYSA-N 2 2 370.392 0.641 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582198357 1281184874 /nfs/dbraw/zinc/18/48/74/1281184874.db2.gz XBRGXLXOJZTTMP-JOCQHMNTSA-N 2 2 370.392 0.639 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582198224 1281185139 /nfs/dbraw/zinc/18/51/39/1281185139.db2.gz QUJNHQAQNHWVAG-CTYIDZIISA-N 2 2 366.429 0.748 20 0 FCADLP O=C(NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001582333827 1281366343 /nfs/dbraw/zinc/36/63/43/1281366343.db2.gz RGVSABLEHSGXAB-KRWDZBQOSA-N 2 2 367.457 0.509 20 0 FCADLP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001589815396 1283047668 /nfs/dbraw/zinc/04/76/68/1283047668.db2.gz SLUZLHWPYSQDAK-CJNGLKHVSA-N 2 2 372.477 0.865 20 0 FCADLP C[C@H](CCCNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001589815396 1283047679 /nfs/dbraw/zinc/04/76/79/1283047679.db2.gz SLUZLHWPYSQDAK-CJNGLKHVSA-N 2 2 372.477 0.865 20 0 FCADLP C[C@@H](CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001589829981 1283071870 /nfs/dbraw/zinc/07/18/70/1283071870.db2.gz MVDOBPKFOSMFRA-NSHDSACASA-N 2 2 372.408 0.956 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589913100 1283121624 /nfs/dbraw/zinc/12/16/24/1283121624.db2.gz MLUNOMJKCJMTCZ-ZIAGYGMSSA-N 2 2 372.477 0.820 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590205215 1283324334 /nfs/dbraw/zinc/32/43/34/1283324334.db2.gz FIAXVHDFBIFLNN-OCCSQVGLSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001590268840 1283392690 /nfs/dbraw/zinc/39/26/90/1283392690.db2.gz GMSFABITQRMWNQ-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001590268840 1283392696 /nfs/dbraw/zinc/39/26/96/1283392696.db2.gz GMSFABITQRMWNQ-OAHLLOKOSA-N 2 2 369.473 0.853 20 0 FCADLP CCN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(=O)Cc1c[nH+]c[nH]1 ZINC001590711306 1283747786 /nfs/dbraw/zinc/74/77/86/1283747786.db2.gz MYFXOJYHBJSYKD-UHFFFAOYSA-N 2 2 360.447 0.832 20 0 FCADLP CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001590799742 1283858301 /nfs/dbraw/zinc/85/83/01/1283858301.db2.gz BHCZSUDCWKHVPU-QGZVFWFLSA-N 2 2 360.462 0.818 20 0 FCADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001591018928 1284074336 /nfs/dbraw/zinc/07/43/36/1284074336.db2.gz AEEFSZPSVUEIKK-UHFFFAOYSA-N 2 2 354.418 0.723 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1c[nH+]cn1C ZINC001591103379 1284173262 /nfs/dbraw/zinc/17/32/62/1284173262.db2.gz OHGPJNMNXXVJFR-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP CN(CC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)Cn1cc[nH+]c1 ZINC001591103743 1284176115 /nfs/dbraw/zinc/17/61/15/1284176115.db2.gz ZVDDDHPEYHXRCI-UHFFFAOYSA-N 2 2 358.381 0.451 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591421141 1284570575 /nfs/dbraw/zinc/57/05/75/1284570575.db2.gz RIJPBBLZYOWLQS-GOSISDBHSA-N 2 2 374.489 0.985 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001591421141 1284570588 /nfs/dbraw/zinc/57/05/88/1284570588.db2.gz RIJPBBLZYOWLQS-GOSISDBHSA-N 2 2 374.489 0.985 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001592047899 1285089788 /nfs/dbraw/zinc/08/97/88/1285089788.db2.gz SXMSACHKLWXQGO-UHFFFAOYSA-N 2 2 355.406 0.184 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001592301612 1285221584 /nfs/dbraw/zinc/22/15/84/1285221584.db2.gz MKMSEHMFABQCRN-BXUZGUMPSA-N 2 2 367.417 0.408 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592589612 1285520160 /nfs/dbraw/zinc/52/01/60/1285520160.db2.gz BIVGJHIQNYMQSK-UHFFFAOYSA-N 2 2 360.447 0.500 20 0 FCADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001592995951 1285880280 /nfs/dbraw/zinc/88/02/80/1285880280.db2.gz XRRDNPGRFUVLQQ-UHFFFAOYSA-N 2 2 370.461 0.446 20 0 FCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001593518667 1286189650 /nfs/dbraw/zinc/18/96/50/1286189650.db2.gz CAFNNQMAIOJTMP-HNNXBMFYSA-N 2 2 358.446 0.777 20 0 FCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC001593518667 1286189651 /nfs/dbraw/zinc/18/96/51/1286189651.db2.gz CAFNNQMAIOJTMP-HNNXBMFYSA-N 2 2 358.446 0.777 20 0 FCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001593519177 1286192410 /nfs/dbraw/zinc/19/24/10/1286192410.db2.gz JHPBALLVDHXRCU-INIZCTEOSA-N 2 2 358.446 0.777 20 0 FCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC001593519177 1286192412 /nfs/dbraw/zinc/19/24/12/1286192412.db2.gz JHPBALLVDHXRCU-INIZCTEOSA-N 2 2 358.446 0.777 20 0 FCADLP c1cnc(NCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC001593584288 1286207054 /nfs/dbraw/zinc/20/70/54/1286207054.db2.gz KDHQEPNUVPOTFR-CQSZACIVSA-N 2 2 358.450 0.517 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC001600755373 1286538466 /nfs/dbraw/zinc/53/84/66/1286538466.db2.gz QREXPRQMBZLGMI-WMLDXEAASA-N 2 2 360.462 0.856 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC001600755373 1286538474 /nfs/dbraw/zinc/53/84/74/1286538474.db2.gz QREXPRQMBZLGMI-WMLDXEAASA-N 2 2 360.462 0.856 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@@H](C(=O)[O-])[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC001600755374 1286538811 /nfs/dbraw/zinc/53/88/11/1286538811.db2.gz QREXPRQMBZLGMI-YOEHRIQHSA-N 2 2 360.462 0.856 20 0 FCADLP Cc1[nH+]ccn1CCN1C[C@@H](C(=O)[O-])[N@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC001600755374 1286538816 /nfs/dbraw/zinc/53/88/16/1286538816.db2.gz QREXPRQMBZLGMI-YOEHRIQHSA-N 2 2 360.462 0.856 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001707220817 1287064953 /nfs/dbraw/zinc/06/49/53/1287064953.db2.gz DXGOFGRJGZWXOU-CVEARBPZSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001707220817 1287064965 /nfs/dbraw/zinc/06/49/65/1287064965.db2.gz DXGOFGRJGZWXOU-CVEARBPZSA-N 2 2 360.506 0.920 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860097 1287801388 /nfs/dbraw/zinc/80/13/88/1287801388.db2.gz DKDRVFMXOVHUCJ-WFASDCNBSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860097 1287801394 /nfs/dbraw/zinc/80/13/94/1287801394.db2.gz DKDRVFMXOVHUCJ-WFASDCNBSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860096 1287801457 /nfs/dbraw/zinc/80/14/57/1287801457.db2.gz DKDRVFMXOVHUCJ-DOMZBBRYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860096 1287801460 /nfs/dbraw/zinc/80/14/60/1287801460.db2.gz DKDRVFMXOVHUCJ-DOMZBBRYSA-N 2 2 356.434 0.441 20 0 FCADLP CO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001719232484 1287911595 /nfs/dbraw/zinc/91/15/95/1287911595.db2.gz RAXGNAFSQACJEJ-HUUCEWRRSA-N 2 2 363.462 0.170 20 0 FCADLP Cc1cc(N(C)CCN(C)C(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605688540 1288051462 /nfs/dbraw/zinc/05/14/62/1288051462.db2.gz SZDRPCCOOPSJJS-UHFFFAOYSA-N 2 2 369.433 0.752 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001606437717 1288318510 /nfs/dbraw/zinc/31/85/10/1288318510.db2.gz NUUMKNDKTRSJNS-DBQDNQAGSA-N 2 2 358.446 0.810 20 0 FCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001606437717 1288318519 /nfs/dbraw/zinc/31/85/19/1288318519.db2.gz NUUMKNDKTRSJNS-DBQDNQAGSA-N 2 2 358.446 0.810 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606518186 1288357813 /nfs/dbraw/zinc/35/78/13/1288357813.db2.gz IQEIAHBSLZOLKM-CYBMUJFWSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606609300 1288405481 /nfs/dbraw/zinc/40/54/81/1288405481.db2.gz LTTLNGTWAXMFGL-OAHLLOKOSA-N 2 2 366.429 0.913 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606621019 1288413057 /nfs/dbraw/zinc/41/30/57/1288413057.db2.gz YMNFUXIYGSTWIT-CHWSQXEVSA-N 2 2 367.417 0.277 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001723721242 1288427102 /nfs/dbraw/zinc/42/71/02/1288427102.db2.gz KMLQKONHMXVKAJ-SPYBWZPUSA-N 2 2 359.474 0.584 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001723721242 1288427105 /nfs/dbraw/zinc/42/71/05/1288427105.db2.gz KMLQKONHMXVKAJ-SPYBWZPUSA-N 2 2 359.474 0.584 20 0 FCADLP O=C(NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001606777909 1288509421 /nfs/dbraw/zinc/50/94/21/1288509421.db2.gz OLUVZIYOEFHWQB-UHFFFAOYSA-N 2 2 370.461 0.476 20 0 FCADLP O[C@@H](COc1ccccc1-c1nn[nH]n1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001607097724 1288661063 /nfs/dbraw/zinc/66/10/63/1288661063.db2.gz QDLPIWGMJGERAL-CYBMUJFWSA-N 2 2 370.417 0.152 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691876867 1289332135 /nfs/dbraw/zinc/33/21/35/1289332135.db2.gz JLEWZVXDDADYLQ-LSDHHAIUSA-N 2 2 361.490 0.725 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001691937697 1289346437 /nfs/dbraw/zinc/34/64/37/1289346437.db2.gz BWVCBIOHDGCVAH-LSDHHAIUSA-N 2 2 364.494 0.545 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N[C@H](C)C3CC3)C2)CC[N@@H+]1C ZINC001692308437 1289446889 /nfs/dbraw/zinc/44/68/89/1289446889.db2.gz XXCRYPOTTACFRT-XOKHGSTOSA-N 2 2 350.507 0.679 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N[C@H](C)C3CC3)C2)CC[N@H+]1C ZINC001692308437 1289446892 /nfs/dbraw/zinc/44/68/92/1289446892.db2.gz XXCRYPOTTACFRT-XOKHGSTOSA-N 2 2 350.507 0.679 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(=O)NC1CCCC1 ZINC001698761375 1289534539 /nfs/dbraw/zinc/53/45/39/1289534539.db2.gz HRDNJYDRKCWTDW-NUEKZKHPSA-N 2 2 361.490 0.924 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001698751442 1289534624 /nfs/dbraw/zinc/53/46/24/1289534624.db2.gz LACRBPXYANSPAU-BPLDGKMQSA-N 2 2 363.462 0.150 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC(=O)NC1CCOCC1 ZINC001698751442 1289534631 /nfs/dbraw/zinc/53/46/31/1289534631.db2.gz LACRBPXYANSPAU-BPLDGKMQSA-N 2 2 363.462 0.150 20 0 FCADLP Cc1nc(C)n(CC[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC001698765178 1289534662 /nfs/dbraw/zinc/53/46/62/1289534662.db2.gz ZXJHBQXLHUTOQV-APHBMKBZSA-N 2 2 359.478 0.774 20 0 FCADLP COc1coc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1=O ZINC001699423112 1289554752 /nfs/dbraw/zinc/55/47/52/1289554752.db2.gz UTUKDUYVAVQOKD-IACUBPJLSA-N 2 2 360.414 0.780 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)oc1C ZINC001699897261 1289570666 /nfs/dbraw/zinc/57/06/66/1289570666.db2.gz FKGOQQMIHJMOIR-DDUZABMNSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)oc1C ZINC001699897261 1289570673 /nfs/dbraw/zinc/57/06/73/1289570673.db2.gz FKGOQQMIHJMOIR-DDUZABMNSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)oc1C ZINC001699897261 1289570681 /nfs/dbraw/zinc/57/06/81/1289570681.db2.gz FKGOQQMIHJMOIR-DDUZABMNSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)oc1C ZINC001699897261 1289570690 /nfs/dbraw/zinc/57/06/90/1289570690.db2.gz FKGOQQMIHJMOIR-DDUZABMNSA-N 2 2 350.463 0.685 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOCC2CC2)C1 ZINC001699900677 1289572856 /nfs/dbraw/zinc/57/28/56/1289572856.db2.gz HFJDZVDBAIRDGM-MDZRGWNJSA-N 2 2 362.474 0.503 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOCC2CC2)C1 ZINC001699900677 1289572863 /nfs/dbraw/zinc/57/28/63/1289572863.db2.gz HFJDZVDBAIRDGM-MDZRGWNJSA-N 2 2 362.474 0.503 20 0 FCADLP C[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC001741851705 1290562093 /nfs/dbraw/zinc/56/20/93/1290562093.db2.gz LBPBKFZIPNOEHU-HZPDHXFCSA-N 2 2 366.510 0.501 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC001753135812 1290620024 /nfs/dbraw/zinc/62/00/24/1290620024.db2.gz PLSOTXILXIOUMG-RBSFLKMASA-N 2 2 361.490 0.876 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC001753135812 1290620034 /nfs/dbraw/zinc/62/00/34/1290620034.db2.gz PLSOTXILXIOUMG-RBSFLKMASA-N 2 2 361.490 0.876 20 0 FCADLP CCOCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001755177958 1290641692 /nfs/dbraw/zinc/64/16/92/1290641692.db2.gz JUVSEVNUAGROJD-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP CCOCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001755177958 1290641703 /nfs/dbraw/zinc/64/17/03/1290641703.db2.gz JUVSEVNUAGROJD-HUUCEWRRSA-N 2 2 350.463 0.883 20 0 FCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001648734899 1291139375 /nfs/dbraw/zinc/13/93/75/1291139375.db2.gz AOTCCURCVUPYLE-CABCVRRESA-N 2 2 366.487 0.758 20 0 FCADLP c1ncn(-c2ccccc2C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC001655597572 1291476574 /nfs/dbraw/zinc/47/65/74/1291476574.db2.gz SNCTZPGBQSMMBQ-GOSISDBHSA-N 2 2 356.474 0.763 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843535 1291567981 /nfs/dbraw/zinc/56/79/81/1291567981.db2.gz WOIWYECQXCYMIF-XHSDSOJGSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843535 1291567988 /nfs/dbraw/zinc/56/79/88/1291567988.db2.gz WOIWYECQXCYMIF-XHSDSOJGSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843535 1291567994 /nfs/dbraw/zinc/56/79/94/1291567994.db2.gz WOIWYECQXCYMIF-XHSDSOJGSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843535 1291568002 /nfs/dbraw/zinc/56/80/02/1291568002.db2.gz WOIWYECQXCYMIF-XHSDSOJGSA-N 2 2 363.510 0.783 20 0 FCADLP COC(=O)c1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC001674850946 1292156230 /nfs/dbraw/zinc/15/62/30/1292156230.db2.gz IKGRTAAFRMKPQX-UHFFFAOYSA-N 2 2 366.466 0.696 20 0 FCADLP COC(=O)c1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n(C)n1 ZINC001674850946 1292156237 /nfs/dbraw/zinc/15/62/37/1292156237.db2.gz IKGRTAAFRMKPQX-UHFFFAOYSA-N 2 2 366.466 0.696 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(CNC(=O)CC[NH+](C)C)C1CC1 ZINC001688819024 1294538577 /nfs/dbraw/zinc/53/85/77/1294538577.db2.gz KRACKGXDAYQTJO-SPYBWZPUSA-N 2 2 361.490 0.876 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001689015670 1294567928 /nfs/dbraw/zinc/56/79/28/1294567928.db2.gz SSYJMESWJJUUGO-UONOGXRCSA-N 2 2 356.492 0.570 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001689157509 1294628242 /nfs/dbraw/zinc/62/82/42/1294628242.db2.gz AULZOHYYFNVONP-IAGOWNOFSA-N 2 2 364.465 0.798 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001689157509 1294628251 /nfs/dbraw/zinc/62/82/51/1294628251.db2.gz AULZOHYYFNVONP-IAGOWNOFSA-N 2 2 364.465 0.798 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001689318343 1294741524 /nfs/dbraw/zinc/74/15/24/1294741524.db2.gz FQAHTWCLAXDVBC-UNEWFSDZSA-N 2 2 361.490 0.859 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001689318343 1294741532 /nfs/dbraw/zinc/74/15/32/1294741532.db2.gz FQAHTWCLAXDVBC-UNEWFSDZSA-N 2 2 361.490 0.859 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)NCC1CCC1 ZINC001689318215 1294742109 /nfs/dbraw/zinc/74/21/09/1294742109.db2.gz DPOGXYOGHIAOOJ-UXLLHSPISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)NCC1CCC1 ZINC001689318215 1294742119 /nfs/dbraw/zinc/74/21/19/1294742119.db2.gz DPOGXYOGHIAOOJ-UXLLHSPISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)NCC1CCC1 ZINC001689318215 1294742130 /nfs/dbraw/zinc/74/21/30/1294742130.db2.gz DPOGXYOGHIAOOJ-UXLLHSPISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(=O)NCC1CCC1 ZINC001689318215 1294742140 /nfs/dbraw/zinc/74/21/40/1294742140.db2.gz DPOGXYOGHIAOOJ-UXLLHSPISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC001689336219 1294755857 /nfs/dbraw/zinc/75/58/57/1294755857.db2.gz FTSROMHQRNSZGR-VYDXJSESSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC001689336219 1294755869 /nfs/dbraw/zinc/75/58/69/1294755869.db2.gz FTSROMHQRNSZGR-VYDXJSESSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N(C)Cc1ccco1 ZINC001689336219 1294755875 /nfs/dbraw/zinc/75/58/75/1294755875.db2.gz FTSROMHQRNSZGR-VYDXJSESSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N(C)Cc1ccco1 ZINC001689336219 1294755885 /nfs/dbraw/zinc/75/58/85/1294755885.db2.gz FTSROMHQRNSZGR-VYDXJSESSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC001689336218 1294756660 /nfs/dbraw/zinc/75/66/60/1294756660.db2.gz FTSROMHQRNSZGR-INMHGKMJSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC001689336218 1294756670 /nfs/dbraw/zinc/75/66/70/1294756670.db2.gz FTSROMHQRNSZGR-INMHGKMJSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)N(C)Cc1ccco1 ZINC001689336218 1294756677 /nfs/dbraw/zinc/75/66/77/1294756677.db2.gz FTSROMHQRNSZGR-INMHGKMJSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)N(C)Cc1ccco1 ZINC001689336218 1294756685 /nfs/dbraw/zinc/75/66/85/1294756685.db2.gz FTSROMHQRNSZGR-INMHGKMJSA-N 2 2 362.474 0.769 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H](O)COCC(F)(F)F ZINC001689342396 1294764128 /nfs/dbraw/zinc/76/41/28/1294764128.db2.gz SNAKKLMJIVEONT-AGIUHOORSA-N 2 2 364.368 0.402 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H](O)COCC(F)(F)F ZINC001689342396 1294764135 /nfs/dbraw/zinc/76/41/35/1294764135.db2.gz SNAKKLMJIVEONT-AGIUHOORSA-N 2 2 364.368 0.402 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001690060487 1294852538 /nfs/dbraw/zinc/85/25/38/1294852538.db2.gz YMWGEWCXPGGZFD-BBWFWOEESA-N 2 2 367.538 0.105 20 0 FCADLP CC[C@@H](C(N)=O)[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001690060487 1294852551 /nfs/dbraw/zinc/85/25/51/1294852551.db2.gz YMWGEWCXPGGZFD-BBWFWOEESA-N 2 2 367.538 0.105 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001690423532 1294866561 /nfs/dbraw/zinc/86/65/61/1294866561.db2.gz PIOWOUJXGCBYTI-ARFHVFGLSA-N 2 2 359.474 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001690423580 1294866982 /nfs/dbraw/zinc/86/69/82/1294866982.db2.gz PSUKIXQOWCFQJT-RBSFLKMASA-N 2 2 368.503 0.396 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001690479279 1294870516 /nfs/dbraw/zinc/87/05/16/1294870516.db2.gz BGQHFQKSFDFVKW-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691688683 1294913671 /nfs/dbraw/zinc/91/36/71/1294913671.db2.gz BPGREDLVFMNUIR-FMKPAKJESA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691688683 1294913678 /nfs/dbraw/zinc/91/36/78/1294913678.db2.gz BPGREDLVFMNUIR-FMKPAKJESA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691688683 1294913681 /nfs/dbraw/zinc/91/36/81/1294913681.db2.gz BPGREDLVFMNUIR-FMKPAKJESA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1C[C@H]1CCS(=O)(=O)C1 ZINC001691688683 1294913684 /nfs/dbraw/zinc/91/36/84/1294913684.db2.gz BPGREDLVFMNUIR-FMKPAKJESA-N 2 2 357.520 0.484 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC001691757666 1294918612 /nfs/dbraw/zinc/91/86/12/1294918612.db2.gz RPFSMMUNKIBXEL-CABCVRRESA-N 2 2 353.511 0.759 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCNC(=O)NC(C)(C)C ZINC001691757666 1294918622 /nfs/dbraw/zinc/91/86/22/1294918622.db2.gz RPFSMMUNKIBXEL-CABCVRRESA-N 2 2 353.511 0.759 20 0 FCADLP C[C@@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)[C@@H](C)C[N@@H+]1C ZINC001164634453 719150041 /nfs/dbraw/zinc/15/00/41/719150041.db2.gz VCNFNHSGBUHSDR-NEPJUHHUSA-N 2 2 353.492 0.097 20 0 FCADLP C[C@@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)[C@@H](C)C[N@H+]1C ZINC001164634453 719150048 /nfs/dbraw/zinc/15/00/48/719150048.db2.gz VCNFNHSGBUHSDR-NEPJUHHUSA-N 2 2 353.492 0.097 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@@H]21 ZINC001164669380 719432897 /nfs/dbraw/zinc/43/28/97/719432897.db2.gz LQJDEDXIIXSXTR-LSDHHAIUSA-N 2 2 359.478 0.591 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@@H]21 ZINC001164669380 719432901 /nfs/dbraw/zinc/43/29/01/719432901.db2.gz LQJDEDXIIXSXTR-LSDHHAIUSA-N 2 2 359.478 0.591 20 0 FCADLP Nc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc[nH+]1 ZINC001164915154 721790938 /nfs/dbraw/zinc/79/09/38/721790938.db2.gz ISDZPCSMDCTBCG-GOSISDBHSA-N 2 2 356.430 0.562 20 0 FCADLP Nc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc[nH+]1 ZINC001164915154 721790941 /nfs/dbraw/zinc/79/09/41/721790941.db2.gz ISDZPCSMDCTBCG-GOSISDBHSA-N 2 2 356.430 0.562 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102401 837617337 /nfs/dbraw/zinc/61/73/37/837617337.db2.gz IFJBCGKZDZRTIW-OAGGEKHMSA-N 2 2 352.458 0.854 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102401 837617341 /nfs/dbraw/zinc/61/73/41/837617341.db2.gz IFJBCGKZDZRTIW-OAGGEKHMSA-N 2 2 352.458 0.854 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102401 837617342 /nfs/dbraw/zinc/61/73/42/837617342.db2.gz IFJBCGKZDZRTIW-OAGGEKHMSA-N 2 2 352.458 0.854 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070102401 837617345 /nfs/dbraw/zinc/61/73/45/837617345.db2.gz IFJBCGKZDZRTIW-OAGGEKHMSA-N 2 2 352.458 0.854 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217545 837635580 /nfs/dbraw/zinc/63/55/80/837635580.db2.gz HWPAPZJZGDKWEH-MCIONIFRSA-N 2 2 363.491 0.617 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070217724 837635643 /nfs/dbraw/zinc/63/56/43/837635643.db2.gz PJWSJDNIVKJKMT-MCIONIFRSA-N 2 2 364.479 0.012 20 0 FCADLP CC(C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)c1c[nH+]c[nH]1 ZINC001071098490 837732585 /nfs/dbraw/zinc/73/25/85/837732585.db2.gz PIDBWMPXAUYHTH-ZBFHGGJFSA-N 2 2 350.463 0.665 20 0 FCADLP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C)on1 ZINC001074710871 837827399 /nfs/dbraw/zinc/82/73/99/837827399.db2.gz IVGGBSMDAZGXMK-PAPYEOQZSA-N 2 2 352.435 0.481 20 0 FCADLP COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C)on1 ZINC001074710871 837827411 /nfs/dbraw/zinc/82/74/11/837827411.db2.gz IVGGBSMDAZGXMK-PAPYEOQZSA-N 2 2 352.435 0.481 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1)[NH+](C)C ZINC001099307054 844015532 /nfs/dbraw/zinc/01/55/32/844015532.db2.gz APMQBSZTQKTCNW-UPJWGTAASA-N 2 2 362.400 0.634 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001099348620 844038790 /nfs/dbraw/zinc/03/87/90/844038790.db2.gz KBGMARCTEHYPGF-IJLUTSLNSA-N 2 2 359.352 0.141 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249202479 836025769 /nfs/dbraw/zinc/02/57/69/836025769.db2.gz AHDBKXCERXAOMJ-VJANTYMQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[N@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249202479 836025745 /nfs/dbraw/zinc/02/57/45/836025745.db2.gz AHDBKXCERXAOMJ-VJANTYMQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[N@@H+](CCCN2CC[NH+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249202479 836025746 /nfs/dbraw/zinc/02/57/46/836025746.db2.gz AHDBKXCERXAOMJ-VJANTYMQSA-N 2 2 356.555 0.150 20 0 FCADLP C[C@H](O)CN1CC[NH+](CCCN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000249202479 836025758 /nfs/dbraw/zinc/02/57/58/836025758.db2.gz AHDBKXCERXAOMJ-VJANTYMQSA-N 2 2 356.555 0.150 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308520 844141233 /nfs/dbraw/zinc/14/12/33/844141233.db2.gz PYVGLIKQJVZCGT-VKJFTORMSA-N 2 2 350.463 0.140 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308520 844141237 /nfs/dbraw/zinc/14/12/37/844141237.db2.gz PYVGLIKQJVZCGT-VKJFTORMSA-N 2 2 350.463 0.140 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000747583771 836250298 /nfs/dbraw/zinc/25/02/98/836250298.db2.gz GRGZNZMSATZSBI-MRXNPFEDSA-N 2 2 356.511 0.896 20 0 FCADLP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000747583771 836250305 /nfs/dbraw/zinc/25/03/05/836250305.db2.gz GRGZNZMSATZSBI-MRXNPFEDSA-N 2 2 356.511 0.896 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749198965 836347619 /nfs/dbraw/zinc/34/76/19/836347619.db2.gz UVVLUYBTFKMYHJ-OAHLLOKOSA-N 2 2 374.551 0.479 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749198965 836347631 /nfs/dbraw/zinc/34/76/31/836347631.db2.gz UVVLUYBTFKMYHJ-OAHLLOKOSA-N 2 2 374.551 0.479 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000749568609 836371342 /nfs/dbraw/zinc/37/13/42/836371342.db2.gz CUICGCHOJBRDMN-CVEARBPZSA-N 2 2 374.551 0.667 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076295039 837977951 /nfs/dbraw/zinc/97/79/51/837977951.db2.gz CFHKVOHWOOCELA-OFQRWUPVSA-N 2 2 366.487 0.310 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076295039 837977954 /nfs/dbraw/zinc/97/79/54/837977954.db2.gz CFHKVOHWOOCELA-OFQRWUPVSA-N 2 2 366.487 0.310 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076633369 838033831 /nfs/dbraw/zinc/03/38/31/838033831.db2.gz KSWGMGBYBFCBEB-HRCADAONSA-N 2 2 366.487 0.241 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001076633369 838033843 /nfs/dbraw/zinc/03/38/43/838033843.db2.gz KSWGMGBYBFCBEB-HRCADAONSA-N 2 2 366.487 0.241 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091013 838724832 /nfs/dbraw/zinc/72/48/32/838724832.db2.gz IYGIECHMELJNGJ-BZUAXINKSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091013 838724840 /nfs/dbraw/zinc/72/48/40/838724840.db2.gz IYGIECHMELJNGJ-BZUAXINKSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091013 838724846 /nfs/dbraw/zinc/72/48/46/838724846.db2.gz IYGIECHMELJNGJ-BZUAXINKSA-N 2 2 352.504 0.987 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001077091013 838724851 /nfs/dbraw/zinc/72/48/51/838724851.db2.gz IYGIECHMELJNGJ-BZUAXINKSA-N 2 2 352.504 0.987 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001077131985 838758985 /nfs/dbraw/zinc/75/89/85/838758985.db2.gz OHZKTMPNFNSDCG-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001077131985 838758992 /nfs/dbraw/zinc/75/89/92/838758992.db2.gz OHZKTMPNFNSDCG-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001077131985 838758998 /nfs/dbraw/zinc/75/89/98/838758998.db2.gz OHZKTMPNFNSDCG-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001077131985 838759008 /nfs/dbraw/zinc/75/90/08/838759008.db2.gz OHZKTMPNFNSDCG-USXIJHARSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001077571377 839047908 /nfs/dbraw/zinc/04/79/08/839047908.db2.gz MMMAHUXUFRLBQT-DANNLKNASA-N 2 2 350.463 0.683 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001077571377 839047915 /nfs/dbraw/zinc/04/79/15/839047915.db2.gz MMMAHUXUFRLBQT-DANNLKNASA-N 2 2 350.463 0.683 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001077571377 839047928 /nfs/dbraw/zinc/04/79/28/839047928.db2.gz MMMAHUXUFRLBQT-DANNLKNASA-N 2 2 350.463 0.683 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001077571377 839047936 /nfs/dbraw/zinc/04/79/36/839047936.db2.gz MMMAHUXUFRLBQT-DANNLKNASA-N 2 2 350.463 0.683 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077582799 839054667 /nfs/dbraw/zinc/05/46/67/839054667.db2.gz SYFGNFQTCIOTIT-ARFHVFGLSA-N 2 2 351.447 0.685 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077582799 839054682 /nfs/dbraw/zinc/05/46/82/839054682.db2.gz SYFGNFQTCIOTIT-ARFHVFGLSA-N 2 2 351.447 0.685 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)cs1 ZINC001077685144 839112442 /nfs/dbraw/zinc/11/24/42/839112442.db2.gz ASGRYNLKEICGCL-HZPDHXFCSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)cs1 ZINC001077685144 839112449 /nfs/dbraw/zinc/11/24/49/839112449.db2.gz ASGRYNLKEICGCL-HZPDHXFCSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cs1 ZINC001077685144 839112455 /nfs/dbraw/zinc/11/24/55/839112455.db2.gz ASGRYNLKEICGCL-HZPDHXFCSA-N 2 2 366.531 0.887 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)cs1 ZINC001077685144 839112465 /nfs/dbraw/zinc/11/24/65/839112465.db2.gz ASGRYNLKEICGCL-HZPDHXFCSA-N 2 2 366.531 0.887 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005978 839287125 /nfs/dbraw/zinc/28/71/25/839287125.db2.gz OUUKJJWGJCYHLW-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005978 839287138 /nfs/dbraw/zinc/28/71/38/839287138.db2.gz OUUKJJWGJCYHLW-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005978 839287148 /nfs/dbraw/zinc/28/71/48/839287148.db2.gz OUUKJJWGJCYHLW-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001078005978 839287158 /nfs/dbraw/zinc/28/71/58/839287158.db2.gz OUUKJJWGJCYHLW-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013193 839294198 /nfs/dbraw/zinc/29/41/98/839294198.db2.gz WIUQRMRGCDVHHN-HUUCEWRRSA-N 2 2 350.488 0.517 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013193 839294212 /nfs/dbraw/zinc/29/42/12/839294212.db2.gz WIUQRMRGCDVHHN-HUUCEWRRSA-N 2 2 350.488 0.517 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001078180264 839385030 /nfs/dbraw/zinc/38/50/30/839385030.db2.gz UXIRLBWUDXYCRZ-IAGOWNOFSA-N 2 2 367.877 0.976 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1O ZINC001078180264 839385044 /nfs/dbraw/zinc/38/50/44/839385044.db2.gz UXIRLBWUDXYCRZ-IAGOWNOFSA-N 2 2 367.877 0.976 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC001078405718 839458140 /nfs/dbraw/zinc/45/81/40/839458140.db2.gz WAGJXKKXYGRTSX-VHDGCEQUSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC001078405718 839458146 /nfs/dbraw/zinc/45/81/46/839458146.db2.gz WAGJXKKXYGRTSX-VHDGCEQUSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494491 839535327 /nfs/dbraw/zinc/53/53/27/839535327.db2.gz FPYQHFYKDREDKQ-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494491 839535340 /nfs/dbraw/zinc/53/53/40/839535340.db2.gz FPYQHFYKDREDKQ-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494491 839535352 /nfs/dbraw/zinc/53/53/52/839535352.db2.gz FPYQHFYKDREDKQ-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494491 839535359 /nfs/dbraw/zinc/53/53/59/839535359.db2.gz FPYQHFYKDREDKQ-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527678 839542957 /nfs/dbraw/zinc/54/29/57/839542957.db2.gz ACFQRJCMNCSNAF-VMGRFDJRSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527678 839542961 /nfs/dbraw/zinc/54/29/61/839542961.db2.gz ACFQRJCMNCSNAF-VMGRFDJRSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079527678 839542967 /nfs/dbraw/zinc/54/29/67/839542967.db2.gz ACFQRJCMNCSNAF-VMGRFDJRSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079527678 839542975 /nfs/dbraw/zinc/54/29/75/839542975.db2.gz ACFQRJCMNCSNAF-VMGRFDJRSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526911 839543491 /nfs/dbraw/zinc/54/34/91/839543491.db2.gz WOWFGBQVOFOFDS-YUELXQCFSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526911 839543494 /nfs/dbraw/zinc/54/34/94/839543494.db2.gz WOWFGBQVOFOFDS-YUELXQCFSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526911 839543504 /nfs/dbraw/zinc/54/35/04/839543504.db2.gz WOWFGBQVOFOFDS-YUELXQCFSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526911 839543510 /nfs/dbraw/zinc/54/35/10/839543510.db2.gz WOWFGBQVOFOFDS-YUELXQCFSA-N 2 2 355.870 0.304 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456227 839729098 /nfs/dbraw/zinc/72/90/98/839729098.db2.gz UKXBOAJCISZRIA-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456227 839729103 /nfs/dbraw/zinc/72/91/03/839729103.db2.gz UKXBOAJCISZRIA-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456227 839729109 /nfs/dbraw/zinc/72/91/09/839729109.db2.gz UKXBOAJCISZRIA-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[NH+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456227 839729118 /nfs/dbraw/zinc/72/91/18/839729118.db2.gz UKXBOAJCISZRIA-BZUAXINKSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375385 844479010 /nfs/dbraw/zinc/47/90/10/844479010.db2.gz GKLPCKJDBMRHMI-HUUCEWRRSA-N 2 2 350.511 0.977 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375385 844479016 /nfs/dbraw/zinc/47/90/16/844479016.db2.gz GKLPCKJDBMRHMI-HUUCEWRRSA-N 2 2 350.511 0.977 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2C)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375385 844479022 /nfs/dbraw/zinc/47/90/22/844479022.db2.gz GKLPCKJDBMRHMI-HUUCEWRRSA-N 2 2 350.511 0.977 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2C)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375385 844479029 /nfs/dbraw/zinc/47/90/29/844479029.db2.gz GKLPCKJDBMRHMI-HUUCEWRRSA-N 2 2 350.511 0.977 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997401 839858160 /nfs/dbraw/zinc/85/81/60/839858160.db2.gz BSNZKXHPQUUGNY-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997401 839858170 /nfs/dbraw/zinc/85/81/70/839858170.db2.gz BSNZKXHPQUUGNY-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997401 839858182 /nfs/dbraw/zinc/85/81/82/839858182.db2.gz BSNZKXHPQUUGNY-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997401 839858191 /nfs/dbraw/zinc/85/81/91/839858191.db2.gz BSNZKXHPQUUGNY-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856098 840069860 /nfs/dbraw/zinc/06/98/60/840069860.db2.gz YGWSFOKBFBQGNV-BZUAXINKSA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081856098 840069868 /nfs/dbraw/zinc/06/98/68/840069868.db2.gz YGWSFOKBFBQGNV-BZUAXINKSA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081856098 840069876 /nfs/dbraw/zinc/06/98/76/840069876.db2.gz YGWSFOKBFBQGNV-BZUAXINKSA-N 2 2 352.504 0.985 20 0 FCADLP CO[C@@H]1C[NH+](CCc2ccns2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081856098 840069888 /nfs/dbraw/zinc/06/98/88/840069888.db2.gz YGWSFOKBFBQGNV-BZUAXINKSA-N 2 2 352.504 0.985 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053048 840163862 /nfs/dbraw/zinc/16/38/62/840163862.db2.gz VKDKRSGHJHIBSY-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053048 840163868 /nfs/dbraw/zinc/16/38/68/840163868.db2.gz VKDKRSGHJHIBSY-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053048 840163878 /nfs/dbraw/zinc/16/38/78/840163878.db2.gz VKDKRSGHJHIBSY-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2OC)C1 ZINC001082053048 840163886 /nfs/dbraw/zinc/16/38/86/840163886.db2.gz VKDKRSGHJHIBSY-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483058 844521170 /nfs/dbraw/zinc/52/11/70/844521170.db2.gz VVRSCZUALRNDFL-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483058 844521178 /nfs/dbraw/zinc/52/11/78/844521178.db2.gz VVRSCZUALRNDFL-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326801 840309732 /nfs/dbraw/zinc/30/97/32/840309732.db2.gz QPIKYCNKWVUQSV-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326801 840309746 /nfs/dbraw/zinc/30/97/46/840309746.db2.gz QPIKYCNKWVUQSV-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326801 840309763 /nfs/dbraw/zinc/30/97/63/840309763.db2.gz QPIKYCNKWVUQSV-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326801 840309777 /nfs/dbraw/zinc/30/97/77/840309777.db2.gz QPIKYCNKWVUQSV-IAOVAPTHSA-N 2 2 350.463 0.894 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327370 840311880 /nfs/dbraw/zinc/31/18/80/840311880.db2.gz PZOPODZBWYACOW-USXIJHARSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327370 840311894 /nfs/dbraw/zinc/31/18/94/840311894.db2.gz PZOPODZBWYACOW-USXIJHARSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328468 840314250 /nfs/dbraw/zinc/31/42/50/840314250.db2.gz VIYKUGXNJFHUSG-HUUCEWRRSA-N 2 2 350.488 0.863 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328468 840314260 /nfs/dbraw/zinc/31/42/60/840314260.db2.gz VIYKUGXNJFHUSG-HUUCEWRRSA-N 2 2 350.488 0.863 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369292 840356308 /nfs/dbraw/zinc/35/63/08/840356308.db2.gz HUBAGERGOFAINV-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369292 840356314 /nfs/dbraw/zinc/35/63/14/840356314.db2.gz HUBAGERGOFAINV-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369292 840356323 /nfs/dbraw/zinc/35/63/23/840356323.db2.gz HUBAGERGOFAINV-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369292 840356334 /nfs/dbraw/zinc/35/63/34/840356334.db2.gz HUBAGERGOFAINV-BPLDGKMQSA-N 2 2 355.870 0.304 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082459021 840420146 /nfs/dbraw/zinc/42/01/46/840420146.db2.gz GQVRNEWQVJDAHB-BPLDGKMQSA-N 2 2 352.504 0.973 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cs1 ZINC001082459021 840420153 /nfs/dbraw/zinc/42/01/53/840420153.db2.gz GQVRNEWQVJDAHB-BPLDGKMQSA-N 2 2 352.504 0.973 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cscn1 ZINC001082557939 840464692 /nfs/dbraw/zinc/46/46/92/840464692.db2.gz PWODPQRTVCDCBN-FVQBIDKESA-N 2 2 362.503 0.907 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001082741049 840543098 /nfs/dbraw/zinc/54/30/98/840543098.db2.gz NUTGBDPAYOAUGH-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)n1 ZINC001082741049 840543106 /nfs/dbraw/zinc/54/31/06/840543106.db2.gz NUTGBDPAYOAUGH-HZSPNIEDSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001082742213 840543470 /nfs/dbraw/zinc/54/34/70/840543470.db2.gz WCOUAFQDVUHNBQ-BFHYXJOUSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)n1 ZINC001082742213 840543478 /nfs/dbraw/zinc/54/34/78/840543478.db2.gz WCOUAFQDVUHNBQ-BFHYXJOUSA-N 2 2 351.451 0.494 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)c(C)o1 ZINC001082807656 840569467 /nfs/dbraw/zinc/56/94/67/840569467.db2.gz VREQGQISQCBFAH-CXAGYDPISA-N 2 2 350.463 0.950 20 0 FCADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)oc1C ZINC001082807788 840569711 /nfs/dbraw/zinc/56/97/11/840569711.db2.gz DAPCSLKATFMHHA-CZUORRHYSA-N 2 2 350.463 0.950 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082823513 840575180 /nfs/dbraw/zinc/57/51/80/840575180.db2.gz RWYBEVIIGFVZGG-TZMCWYRMSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnsn1 ZINC001082828054 840576199 /nfs/dbraw/zinc/57/61/99/840576199.db2.gz PHCBJPPAKNUCMM-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001082884190 840590343 /nfs/dbraw/zinc/59/03/43/840590343.db2.gz HOSJPIBTWOFIQW-IVMMDQJWSA-N 2 2 368.503 0.522 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001082958022 840620654 /nfs/dbraw/zinc/62/06/54/840620654.db2.gz VWHJIDOALOFHKT-QLFBSQMISA-N 2 2 354.476 0.144 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540049 844559938 /nfs/dbraw/zinc/55/99/38/844559938.db2.gz BGYXYHORRHLFSE-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540049 844559949 /nfs/dbraw/zinc/55/99/49/844559949.db2.gz BGYXYHORRHLFSE-HUUCEWRRSA-N 2 2 370.519 0.472 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207675 840797378 /nfs/dbraw/zinc/79/73/78/840797378.db2.gz ILXOGPLJYJJCRM-LSDHHAIUSA-N 2 2 361.471 0.871 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207675 840797382 /nfs/dbraw/zinc/79/73/82/840797382.db2.gz ILXOGPLJYJJCRM-LSDHHAIUSA-N 2 2 361.471 0.871 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1 ZINC001102601297 844592438 /nfs/dbraw/zinc/59/24/38/844592438.db2.gz WBRSTCRMCDPGOD-ZIAGYGMSSA-N 2 2 353.467 0.740 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)n1 ZINC001102601297 844592442 /nfs/dbraw/zinc/59/24/42/844592442.db2.gz WBRSTCRMCDPGOD-ZIAGYGMSSA-N 2 2 353.467 0.740 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001102601297 844592444 /nfs/dbraw/zinc/59/24/44/844592444.db2.gz WBRSTCRMCDPGOD-ZIAGYGMSSA-N 2 2 353.467 0.740 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)n1 ZINC001102601297 844592447 /nfs/dbraw/zinc/59/24/47/844592447.db2.gz WBRSTCRMCDPGOD-ZIAGYGMSSA-N 2 2 353.467 0.740 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466368 841037458 /nfs/dbraw/zinc/03/74/58/841037458.db2.gz QZAJWLFTTFXWPJ-XHSDSOJGSA-N 2 2 367.881 0.040 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466368 841037470 /nfs/dbraw/zinc/03/74/70/841037470.db2.gz QZAJWLFTTFXWPJ-XHSDSOJGSA-N 2 2 367.881 0.040 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1)OC ZINC001083478163 841054768 /nfs/dbraw/zinc/05/47/68/841054768.db2.gz XZGUJQWYQURTGQ-XHSDSOJGSA-N 2 2 350.463 0.348 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1)OC ZINC001083478163 841054780 /nfs/dbraw/zinc/05/47/80/841054780.db2.gz XZGUJQWYQURTGQ-XHSDSOJGSA-N 2 2 350.463 0.348 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563302 841172728 /nfs/dbraw/zinc/17/27/28/841172728.db2.gz IUJXVDLAJOFEHN-OAGGEKHMSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563302 841172738 /nfs/dbraw/zinc/17/27/38/841172738.db2.gz IUJXVDLAJOFEHN-OAGGEKHMSA-N 2 2 350.463 0.657 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563409 841172971 /nfs/dbraw/zinc/17/29/71/841172971.db2.gz OCZRJSFNYCYMKR-CABCVRRESA-N 2 2 350.488 0.680 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563409 841172975 /nfs/dbraw/zinc/17/29/75/841172975.db2.gz OCZRJSFNYCYMKR-CABCVRRESA-N 2 2 350.488 0.680 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563303 841173013 /nfs/dbraw/zinc/17/30/13/841173013.db2.gz IUJXVDLAJOFEHN-XHSDSOJGSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563303 841173019 /nfs/dbraw/zinc/17/30/19/841173019.db2.gz IUJXVDLAJOFEHN-XHSDSOJGSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H](O)C2)s1 ZINC001083573389 841186749 /nfs/dbraw/zinc/18/67/49/841186749.db2.gz HLGZUQQGOQFJLI-ILXRZTDVSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H](O)C2)s1 ZINC001083573389 841186754 /nfs/dbraw/zinc/18/67/54/841186754.db2.gz HLGZUQQGOQFJLI-ILXRZTDVSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)s1 ZINC001083573389 841186762 /nfs/dbraw/zinc/18/67/62/841186762.db2.gz HLGZUQQGOQFJLI-ILXRZTDVSA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)[C@@H](O)C2)s1 ZINC001083573389 841186769 /nfs/dbraw/zinc/18/67/69/841186769.db2.gz HLGZUQQGOQFJLI-ILXRZTDVSA-N 2 2 352.504 0.906 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)no1 ZINC001083590670 841205815 /nfs/dbraw/zinc/20/58/15/841205815.db2.gz QCBOQBLMMYQVMK-KGLIPLIRSA-N 2 2 358.389 0.556 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2O)no1 ZINC001083590670 841205822 /nfs/dbraw/zinc/20/58/22/841205822.db2.gz QCBOQBLMMYQVMK-KGLIPLIRSA-N 2 2 358.389 0.556 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602287 841222415 /nfs/dbraw/zinc/22/24/15/841222415.db2.gz NAZMOWULPGAHPL-HZSPNIEDSA-N 2 2 359.417 0.200 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602287 841222419 /nfs/dbraw/zinc/22/24/19/841222419.db2.gz NAZMOWULPGAHPL-HZSPNIEDSA-N 2 2 359.417 0.200 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccns2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607065 841227386 /nfs/dbraw/zinc/22/73/86/841227386.db2.gz CZOQXVISOAFDJI-CVEARBPZSA-N 2 2 357.439 0.808 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607065 841227388 /nfs/dbraw/zinc/22/73/88/841227388.db2.gz CZOQXVISOAFDJI-CVEARBPZSA-N 2 2 357.439 0.808 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723424 841358511 /nfs/dbraw/zinc/35/85/11/841358511.db2.gz JRCUEMDZFTXCQC-IKGGRYGDSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723424 841358524 /nfs/dbraw/zinc/35/85/24/841358524.db2.gz JRCUEMDZFTXCQC-IKGGRYGDSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723424 841358532 /nfs/dbraw/zinc/35/85/32/841358532.db2.gz JRCUEMDZFTXCQC-IKGGRYGDSA-N 2 2 367.515 0.827 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)cs1 ZINC001083723424 841358544 /nfs/dbraw/zinc/35/85/44/841358544.db2.gz JRCUEMDZFTXCQC-IKGGRYGDSA-N 2 2 367.515 0.827 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723416 841359394 /nfs/dbraw/zinc/35/93/94/841359394.db2.gz JHLYHXJLATUYCG-OWCLPIDISA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723416 841359403 /nfs/dbraw/zinc/35/94/03/841359403.db2.gz JHLYHXJLATUYCG-OWCLPIDISA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723416 841359425 /nfs/dbraw/zinc/35/94/25/841359425.db2.gz JHLYHXJLATUYCG-OWCLPIDISA-N 2 2 353.488 0.519 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O)C1 ZINC001083723416 841359437 /nfs/dbraw/zinc/35/94/37/841359437.db2.gz JHLYHXJLATUYCG-OWCLPIDISA-N 2 2 353.488 0.519 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083727357 841368410 /nfs/dbraw/zinc/36/84/10/841368410.db2.gz YYZMEWRTMPXGGI-YUDUHTQSSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083727357 841368423 /nfs/dbraw/zinc/36/84/23/841368423.db2.gz YYZMEWRTMPXGGI-YUDUHTQSSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083727357 841368439 /nfs/dbraw/zinc/36/84/39/841368439.db2.gz YYZMEWRTMPXGGI-YUDUHTQSSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H](O)C2)s1 ZINC001083727357 841368448 /nfs/dbraw/zinc/36/84/48/841368448.db2.gz YYZMEWRTMPXGGI-YUDUHTQSSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001275799905 861195718 /nfs/dbraw/zinc/19/57/18/861195718.db2.gz OUZNRUHSYLRYOZ-SOUVJXGZSA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001275799905 861195720 /nfs/dbraw/zinc/19/57/20/861195720.db2.gz OUZNRUHSYLRYOZ-SOUVJXGZSA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)[C@@H]2C1 ZINC001275799905 861195725 /nfs/dbraw/zinc/19/57/25/861195725.db2.gz OUZNRUHSYLRYOZ-SOUVJXGZSA-N 2 2 350.488 0.551 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779115 841426385 /nfs/dbraw/zinc/42/63/85/841426385.db2.gz MXFWLXPRGANHJG-MAZHCROVSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779115 841426389 /nfs/dbraw/zinc/42/63/89/841426389.db2.gz MXFWLXPRGANHJG-MAZHCROVSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779115 841426392 /nfs/dbraw/zinc/42/63/92/841426392.db2.gz MXFWLXPRGANHJG-MAZHCROVSA-N 2 2 350.463 0.691 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779115 841426396 /nfs/dbraw/zinc/42/63/96/841426396.db2.gz MXFWLXPRGANHJG-MAZHCROVSA-N 2 2 350.463 0.691 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)C2 ZINC001083781004 841426906 /nfs/dbraw/zinc/42/69/06/841426906.db2.gz RAPHQMPHYJYAAO-YUTCNCBUSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)C2 ZINC001083781004 841426914 /nfs/dbraw/zinc/42/69/14/841426914.db2.gz RAPHQMPHYJYAAO-YUTCNCBUSA-N 2 2 360.380 0.868 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083887737 841534369 /nfs/dbraw/zinc/53/43/69/841534369.db2.gz IXUZQSDTURTFMV-ILXRZTDVSA-N 2 2 361.433 0.304 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]2O)CC1 ZINC001083887737 841534378 /nfs/dbraw/zinc/53/43/78/841534378.db2.gz IXUZQSDTURTFMV-ILXRZTDVSA-N 2 2 361.433 0.304 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078638 841688806 /nfs/dbraw/zinc/68/88/06/841688806.db2.gz BJKOMIINDSQGPO-IKGGRYGDSA-N 2 2 367.515 0.747 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078638 841688815 /nfs/dbraw/zinc/68/88/15/841688815.db2.gz BJKOMIINDSQGPO-IKGGRYGDSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078638 841688823 /nfs/dbraw/zinc/68/88/23/841688823.db2.gz BJKOMIINDSQGPO-IKGGRYGDSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@H]2O)C1 ZINC001084078638 841688830 /nfs/dbraw/zinc/68/88/30/841688830.db2.gz BJKOMIINDSQGPO-IKGGRYGDSA-N 2 2 367.515 0.747 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231780 841751170 /nfs/dbraw/zinc/75/11/70/841751170.db2.gz KZMYOUULLQJXRI-IXDOHACOSA-N 2 2 369.531 0.438 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231780 841751174 /nfs/dbraw/zinc/75/11/74/841751174.db2.gz KZMYOUULLQJXRI-IXDOHACOSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231780 841751178 /nfs/dbraw/zinc/75/11/78/841751178.db2.gz KZMYOUULLQJXRI-IXDOHACOSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231780 841751185 /nfs/dbraw/zinc/75/11/85/841751185.db2.gz KZMYOUULLQJXRI-IXDOHACOSA-N 2 2 369.531 0.438 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251547 841755757 /nfs/dbraw/zinc/75/57/57/841755757.db2.gz RPCKITWUSZPIAP-RBSFLKMASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251547 841755762 /nfs/dbraw/zinc/75/57/62/841755762.db2.gz RPCKITWUSZPIAP-RBSFLKMASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251547 841755770 /nfs/dbraw/zinc/75/57/70/841755770.db2.gz RPCKITWUSZPIAP-RBSFLKMASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251547 841755774 /nfs/dbraw/zinc/75/57/74/841755774.db2.gz RPCKITWUSZPIAP-RBSFLKMASA-N 2 2 350.488 0.815 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084522338 841823701 /nfs/dbraw/zinc/82/37/01/841823701.db2.gz WIPLUTSLHOEWPN-ARFHVFGLSA-N 2 2 366.487 0.159 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084522338 841823705 /nfs/dbraw/zinc/82/37/05/841823705.db2.gz WIPLUTSLHOEWPN-ARFHVFGLSA-N 2 2 366.487 0.159 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275878895 861244351 /nfs/dbraw/zinc/24/43/51/861244351.db2.gz MQFANLMTCKRCPG-VDZJLULYSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001275878895 861244356 /nfs/dbraw/zinc/24/43/56/861244356.db2.gz MQFANLMTCKRCPG-VDZJLULYSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001275878895 861244363 /nfs/dbraw/zinc/24/43/63/861244363.db2.gz MQFANLMTCKRCPG-VDZJLULYSA-N 2 2 351.491 0.857 20 0 FCADLP CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001275878895 861244368 /nfs/dbraw/zinc/24/43/68/861244368.db2.gz MQFANLMTCKRCPG-VDZJLULYSA-N 2 2 351.491 0.857 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831610 841924547 /nfs/dbraw/zinc/92/45/47/841924547.db2.gz SELBXUMXSLZDSV-GVDBMIGSSA-N 2 2 369.531 0.440 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831610 841924554 /nfs/dbraw/zinc/92/45/54/841924554.db2.gz SELBXUMXSLZDSV-GVDBMIGSSA-N 2 2 369.531 0.440 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831715 841926649 /nfs/dbraw/zinc/92/66/49/841926649.db2.gz XFQNHBZCAQTXGH-BZUAXINKSA-N 2 2 355.504 0.050 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001084831715 841926656 /nfs/dbraw/zinc/92/66/56/841926656.db2.gz XFQNHBZCAQTXGH-BZUAXINKSA-N 2 2 355.504 0.050 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085158998 842030394 /nfs/dbraw/zinc/03/03/94/842030394.db2.gz DRFMHMOBOFXDBD-RBSFLKMASA-N 2 2 350.467 0.146 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085158998 842030405 /nfs/dbraw/zinc/03/04/05/842030405.db2.gz DRFMHMOBOFXDBD-RBSFLKMASA-N 2 2 350.467 0.146 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001085158950 842030759 /nfs/dbraw/zinc/03/07/59/842030759.db2.gz CEQZGDDJKMEPEU-BZUAXINKSA-N 2 2 350.467 0.146 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001085158950 842030769 /nfs/dbraw/zinc/03/07/69/842030769.db2.gz CEQZGDDJKMEPEU-BZUAXINKSA-N 2 2 350.467 0.146 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001085406213 842093948 /nfs/dbraw/zinc/09/39/48/842093948.db2.gz UQQVOSAVEIPKCK-RRFJBIMHSA-N 2 2 368.503 0.712 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCc2ccns2)O1 ZINC001085671003 842111819 /nfs/dbraw/zinc/11/18/19/842111819.db2.gz KVUCNWPAFMSCMJ-IJEWVQPXSA-N 2 2 352.504 0.937 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCc2ccns2)O1 ZINC001085671003 842111821 /nfs/dbraw/zinc/11/18/21/842111821.db2.gz KVUCNWPAFMSCMJ-IJEWVQPXSA-N 2 2 352.504 0.937 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCc2ccns2)O1 ZINC001085671003 842111825 /nfs/dbraw/zinc/11/18/25/842111825.db2.gz KVUCNWPAFMSCMJ-IJEWVQPXSA-N 2 2 352.504 0.937 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCc2ccns2)O1 ZINC001085671003 842111826 /nfs/dbraw/zinc/11/18/26/842111826.db2.gz KVUCNWPAFMSCMJ-IJEWVQPXSA-N 2 2 352.504 0.937 20 0 FCADLP CCc1nocc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671331 842111892 /nfs/dbraw/zinc/11/18/92/842111892.db2.gz UWEAYDUFIXFRNJ-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671331 842111899 /nfs/dbraw/zinc/11/18/99/842111899.db2.gz UWEAYDUFIXFRNJ-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671331 842111905 /nfs/dbraw/zinc/11/19/05/842111905.db2.gz UWEAYDUFIXFRNJ-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP CCc1nocc1C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671331 842111908 /nfs/dbraw/zinc/11/19/08/842111908.db2.gz UWEAYDUFIXFRNJ-UKPHBRMFSA-N 2 2 350.463 0.989 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086120223 842121368 /nfs/dbraw/zinc/12/13/68/842121368.db2.gz QGYCBZRGNPUGHU-GEJOOGBSSA-N 2 2 353.492 0.803 20 0 FCADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)c1csnn1 ZINC001086120223 842121375 /nfs/dbraw/zinc/12/13/75/842121375.db2.gz QGYCBZRGNPUGHU-GEJOOGBSSA-N 2 2 353.492 0.803 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392483 842129885 /nfs/dbraw/zinc/12/98/85/842129885.db2.gz QCEIKTSLRGNRPG-BTFPBAQTSA-N 2 2 366.487 0.432 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392483 842129888 /nfs/dbraw/zinc/12/98/88/842129888.db2.gz QCEIKTSLRGNRPG-BTFPBAQTSA-N 2 2 366.487 0.432 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC001086880934 842191043 /nfs/dbraw/zinc/19/10/43/842191043.db2.gz VVMNCNBMMMTBRY-ZNMIVQPWSA-N 2 2 351.451 0.473 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC001086880934 842191056 /nfs/dbraw/zinc/19/10/56/842191056.db2.gz VVMNCNBMMMTBRY-ZNMIVQPWSA-N 2 2 351.451 0.473 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001087048889 842244765 /nfs/dbraw/zinc/24/47/65/842244765.db2.gz FNJPLJIEOVFHKP-ARFHVFGLSA-N 2 2 350.463 0.832 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C[NH2+]Cc1csnn1 ZINC001087101249 842291663 /nfs/dbraw/zinc/29/16/63/842291663.db2.gz AKQFJOQAEIOUPA-UKRRQHHQSA-N 2 2 364.475 0.696 20 0 FCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001087251322 842326504 /nfs/dbraw/zinc/32/65/04/842326504.db2.gz OPKMJOGGXNWACJ-OAGGEKHMSA-N 2 2 368.503 0.535 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)n1)C2 ZINC001276084036 861312421 /nfs/dbraw/zinc/31/24/21/861312421.db2.gz RWTHOZRGHWOVCF-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)n1)C2 ZINC001276084036 861312435 /nfs/dbraw/zinc/31/24/35/861312435.db2.gz RWTHOZRGHWOVCF-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087847635 842450610 /nfs/dbraw/zinc/45/06/10/842450610.db2.gz KAZRZNGONUHBKF-QLFBSQMISA-N 2 2 354.476 0.287 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087847635 842450620 /nfs/dbraw/zinc/45/06/20/842450620.db2.gz KAZRZNGONUHBKF-QLFBSQMISA-N 2 2 354.476 0.287 20 0 FCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208704 842560652 /nfs/dbraw/zinc/56/06/52/842560652.db2.gz NQJZBXQYGHVZPH-FGTMMUONSA-N 2 2 351.491 0.524 20 0 FCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208704 842560662 /nfs/dbraw/zinc/56/06/62/842560662.db2.gz NQJZBXQYGHVZPH-FGTMMUONSA-N 2 2 351.491 0.524 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C)n1 ZINC001088506099 842592657 /nfs/dbraw/zinc/59/26/57/842592657.db2.gz HQLYEKQIJAAIGR-SNPRPXQTSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C)n1 ZINC001088506099 842592670 /nfs/dbraw/zinc/59/26/70/842592670.db2.gz HQLYEKQIJAAIGR-SNPRPXQTSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001088506099 842592683 /nfs/dbraw/zinc/59/26/83/842592683.db2.gz HQLYEKQIJAAIGR-SNPRPXQTSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001088506099 842592696 /nfs/dbraw/zinc/59/26/96/842592696.db2.gz HQLYEKQIJAAIGR-SNPRPXQTSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C)n1 ZINC001088506100 842593183 /nfs/dbraw/zinc/59/31/83/842593183.db2.gz HQLYEKQIJAAIGR-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C)n1 ZINC001088506100 842593187 /nfs/dbraw/zinc/59/31/87/842593187.db2.gz HQLYEKQIJAAIGR-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001088506100 842593194 /nfs/dbraw/zinc/59/31/94/842593194.db2.gz HQLYEKQIJAAIGR-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001088506100 842593198 /nfs/dbraw/zinc/59/31/98/842593198.db2.gz HQLYEKQIJAAIGR-VHDGCEQUSA-N 2 2 351.451 0.220 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811216 842684314 /nfs/dbraw/zinc/68/43/14/842684314.db2.gz QYAOYFFQRRVRDY-PMPSAXMXSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811216 842684317 /nfs/dbraw/zinc/68/43/17/842684317.db2.gz QYAOYFFQRRVRDY-PMPSAXMXSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811216 842684320 /nfs/dbraw/zinc/68/43/20/842684320.db2.gz QYAOYFFQRRVRDY-PMPSAXMXSA-N 2 2 359.536 0.732 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088811216 842684322 /nfs/dbraw/zinc/68/43/22/842684322.db2.gz QYAOYFFQRRVRDY-PMPSAXMXSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001088860079 842697243 /nfs/dbraw/zinc/69/72/43/842697243.db2.gz VHDAHPCRCVDEIJ-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(=O)N1CCCCC1 ZINC001088860079 842697248 /nfs/dbraw/zinc/69/72/48/842697248.db2.gz VHDAHPCRCVDEIJ-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001088860079 842697252 /nfs/dbraw/zinc/69/72/52/842697252.db2.gz VHDAHPCRCVDEIJ-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(=O)N1CCCCC1 ZINC001088860079 842697255 /nfs/dbraw/zinc/69/72/55/842697255.db2.gz VHDAHPCRCVDEIJ-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041417 842751124 /nfs/dbraw/zinc/75/11/24/842751124.db2.gz VADOORLIHNVNGQ-KBMXLJTQSA-N 2 2 368.503 0.595 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001089041417 842751129 /nfs/dbraw/zinc/75/11/29/842751129.db2.gz VADOORLIHNVNGQ-KBMXLJTQSA-N 2 2 368.503 0.595 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505025 843221986 /nfs/dbraw/zinc/22/19/86/843221986.db2.gz DXAWKQKDSVOLRZ-UPJWGTAASA-N 2 2 366.491 0.255 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505025 843221997 /nfs/dbraw/zinc/22/19/97/843221997.db2.gz DXAWKQKDSVOLRZ-UPJWGTAASA-N 2 2 366.491 0.255 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092505025 843222006 /nfs/dbraw/zinc/22/20/06/843222006.db2.gz DXAWKQKDSVOLRZ-UPJWGTAASA-N 2 2 366.491 0.255 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)Nc2nncs2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092505025 843222016 /nfs/dbraw/zinc/22/20/16/843222016.db2.gz DXAWKQKDSVOLRZ-UPJWGTAASA-N 2 2 366.491 0.255 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522697 843227970 /nfs/dbraw/zinc/22/79/70/843227970.db2.gz UEOPTNIQUBVRTA-CPUCHLNUSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522697 843227979 /nfs/dbraw/zinc/22/79/79/843227979.db2.gz UEOPTNIQUBVRTA-CPUCHLNUSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092522697 843227989 /nfs/dbraw/zinc/22/79/89/843227989.db2.gz UEOPTNIQUBVRTA-CPUCHLNUSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092522697 843227994 /nfs/dbraw/zinc/22/79/94/843227994.db2.gz UEOPTNIQUBVRTA-CPUCHLNUSA-N 2 2 350.438 0.735 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001093690895 843456511 /nfs/dbraw/zinc/45/65/11/843456511.db2.gz IIIWCGHRGAYTAK-MCIONIFRSA-N 2 2 369.897 0.588 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ncc(Cl)n1C ZINC001093690895 843456518 /nfs/dbraw/zinc/45/65/18/843456518.db2.gz IIIWCGHRGAYTAK-MCIONIFRSA-N 2 2 369.897 0.588 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691150 843456820 /nfs/dbraw/zinc/45/68/20/843456820.db2.gz KJHUMXRHJVKJSG-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093691150 843456827 /nfs/dbraw/zinc/45/68/27/843456827.db2.gz KJHUMXRHJVKJSG-MGPQQGTHSA-N 2 2 351.451 0.147 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@H+](CC3COC(C)(C)OC3)C[C@@]2(F)C1=O ZINC001276345511 861420753 /nfs/dbraw/zinc/42/07/53/861420753.db2.gz CBKBKASXIYAVGO-DLBZAZTESA-N 2 2 361.433 0.522 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@@H+](CC3COC(C)(C)OC3)C[C@@]2(F)C1=O ZINC001276345511 861420763 /nfs/dbraw/zinc/42/07/63/861420763.db2.gz CBKBKASXIYAVGO-DLBZAZTESA-N 2 2 361.433 0.522 20 0 FCADLP CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001097574061 843873973 /nfs/dbraw/zinc/87/39/73/843873973.db2.gz XEMSBWLWDXCCTD-DZVNLGKHSA-N 2 2 351.491 0.998 20 0 FCADLP CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001097574061 843873983 /nfs/dbraw/zinc/87/39/83/843873983.db2.gz XEMSBWLWDXCCTD-DZVNLGKHSA-N 2 2 351.491 0.998 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103271332 844730359 /nfs/dbraw/zinc/73/03/59/844730359.db2.gz JTZIZQXBWDRKJJ-BZUAXINKSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103271332 844730365 /nfs/dbraw/zinc/73/03/65/844730365.db2.gz JTZIZQXBWDRKJJ-BZUAXINKSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103271332 844730372 /nfs/dbraw/zinc/73/03/72/844730372.db2.gz JTZIZQXBWDRKJJ-BZUAXINKSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103271332 844730379 /nfs/dbraw/zinc/73/03/79/844730379.db2.gz JTZIZQXBWDRKJJ-BZUAXINKSA-N 2 2 354.495 0.047 20 0 FCADLP CCS(=O)(=O)CCN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610944 861499312 /nfs/dbraw/zinc/49/93/12/861499312.db2.gz SUBNFZDYOCREJQ-QGZVFWFLSA-N 2 2 373.519 0.214 20 0 FCADLP CCS(=O)(=O)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610944 861499320 /nfs/dbraw/zinc/49/93/20/861499320.db2.gz SUBNFZDYOCREJQ-QGZVFWFLSA-N 2 2 373.519 0.214 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1)n1cc[nH+]c1 ZINC001104738027 844937091 /nfs/dbraw/zinc/93/70/91/844937091.db2.gz BUVPYRXTUQMWAJ-IXDOHACOSA-N 2 2 352.479 0.917 20 0 FCADLP CC(C)[C@H]1N(C(=O)Cc2[nH]cc[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105668797 845014803 /nfs/dbraw/zinc/01/48/03/845014803.db2.gz ZUKWBTOLOFYCAQ-DTTOXWODSA-N 2 2 350.463 0.301 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106307418 845151944 /nfs/dbraw/zinc/15/19/44/845151944.db2.gz LAIGNTYZDBTIDU-BMFZPTHFSA-N 2 2 352.479 0.618 20 0 FCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001106721994 845232543 /nfs/dbraw/zinc/23/25/43/845232543.db2.gz PPHRWXYZVUUVMB-BRWVUGGUSA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C[NH2+]CCCO ZINC001106720931 845232672 /nfs/dbraw/zinc/23/26/72/845232672.db2.gz NEOQVJKFRXRKIX-IAGOWNOFSA-N 2 2 353.507 0.698 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001106799113 845255083 /nfs/dbraw/zinc/25/50/83/845255083.db2.gz BRFPUAZNUOBYNX-ZIAGYGMSSA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)Nc1nncs1 ZINC001107079193 845327025 /nfs/dbraw/zinc/32/70/25/845327025.db2.gz XANFNGFKUHJRBE-VXGBXAGGSA-N 2 2 363.447 0.057 20 0 FCADLP COCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024512 845423250 /nfs/dbraw/zinc/42/32/50/845423250.db2.gz MEQOJNVRRYQONZ-JFIYKMOQSA-N 2 2 357.495 0.339 20 0 FCADLP 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TZJNYICXSDYESR-PMPSAXMXSA-N 2 2 354.495 0.201 20 0 FCADLP COCCCN1C[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276796060 861613059 /nfs/dbraw/zinc/61/30/59/861613059.db2.gz VDPZRUSDIVZLEF-CRAIPNDOSA-N 2 2 357.495 0.075 20 0 FCADLP COCCCN1C[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001276796060 861613064 /nfs/dbraw/zinc/61/30/64/861613064.db2.gz VDPZRUSDIVZLEF-CRAIPNDOSA-N 2 2 357.495 0.075 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386801 845875741 /nfs/dbraw/zinc/87/57/41/845875741.db2.gz WRAFZAXVVQOWAP-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386801 845875747 /nfs/dbraw/zinc/87/57/47/845875747.db2.gz WRAFZAXVVQOWAP-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110386801 845875753 /nfs/dbraw/zinc/87/57/53/845875753.db2.gz WRAFZAXVVQOWAP-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CN(C)S(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110386801 845875759 /nfs/dbraw/zinc/87/57/59/845875759.db2.gz WRAFZAXVVQOWAP-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110958989 846002433 /nfs/dbraw/zinc/00/24/33/846002433.db2.gz CUSIHYIJDMRCMC-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110958989 846002442 /nfs/dbraw/zinc/00/24/42/846002442.db2.gz CUSIHYIJDMRCMC-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O)[NH+](CC)CC ZINC001111018201 846015115 /nfs/dbraw/zinc/01/51/15/846015115.db2.gz MWXKSHXZFYHIDL-MQYQWHSLSA-N 2 2 353.467 0.023 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O)[NH+](CC)CC ZINC001111018201 846015122 /nfs/dbraw/zinc/01/51/22/846015122.db2.gz MWXKSHXZFYHIDL-MQYQWHSLSA-N 2 2 353.467 0.023 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111021798 846016173 /nfs/dbraw/zinc/01/61/73/846016173.db2.gz DYVIUPXKAVAQKZ-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NC(C)(C)C)C1 ZINC001111021798 846016181 /nfs/dbraw/zinc/01/61/81/846016181.db2.gz DYVIUPXKAVAQKZ-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111021798 846016186 /nfs/dbraw/zinc/01/61/86/846016186.db2.gz DYVIUPXKAVAQKZ-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)C1 ZINC001111021798 846016192 /nfs/dbraw/zinc/01/61/92/846016192.db2.gz DYVIUPXKAVAQKZ-FPCVCCKLSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111021817 846017048 /nfs/dbraw/zinc/01/70/48/846017048.db2.gz FRCKRNNRMSOMAS-JJXSEGSLSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001111021817 846017051 /nfs/dbraw/zinc/01/70/51/846017051.db2.gz FRCKRNNRMSOMAS-JJXSEGSLSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001111021817 846017053 /nfs/dbraw/zinc/01/70/53/846017053.db2.gz FRCKRNNRMSOMAS-JJXSEGSLSA-N 2 2 372.535 0.084 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001111021817 846017058 /nfs/dbraw/zinc/01/70/58/846017058.db2.gz FRCKRNNRMSOMAS-JJXSEGSLSA-N 2 2 372.535 0.084 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](C[C@@H](O)C(C)(C)C)C2)OCC1=O ZINC001276824507 861633635 /nfs/dbraw/zinc/63/36/35/861633635.db2.gz OBGJMCIVRJVAFU-CRAIPNDOSA-N 2 2 350.463 0.630 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](C[C@@H](O)C(C)(C)C)C2)OCC1=O ZINC001276824507 861633639 /nfs/dbraw/zinc/63/36/39/861633639.db2.gz OBGJMCIVRJVAFU-CRAIPNDOSA-N 2 2 350.463 0.630 20 0 FCADLP CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825506 861634868 /nfs/dbraw/zinc/63/48/68/861634868.db2.gz UNKNJISFGHWWLE-YJBOKZPZSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825506 861634878 /nfs/dbraw/zinc/63/48/78/861634878.db2.gz UNKNJISFGHWWLE-YJBOKZPZSA-N 2 2 350.463 0.593 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277150 846076483 /nfs/dbraw/zinc/07/64/83/846076483.db2.gz CVDDDJAHGXPRKH-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277150 846076488 /nfs/dbraw/zinc/07/64/88/846076488.db2.gz CVDDDJAHGXPRKH-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281584 846077414 /nfs/dbraw/zinc/07/74/14/846077414.db2.gz YYWACTOBZMBQAP-KFWWJZLASA-N 2 2 355.504 0.238 20 0 FCADLP CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281584 846077421 /nfs/dbraw/zinc/07/74/21/846077421.db2.gz YYWACTOBZMBQAP-KFWWJZLASA-N 2 2 355.504 0.238 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467884 846119799 /nfs/dbraw/zinc/11/97/99/846119799.db2.gz ZSRKDIKBOPEGJD-CBZIJGRNSA-N 2 2 350.507 0.964 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467884 846119806 /nfs/dbraw/zinc/11/98/06/846119806.db2.gz ZSRKDIKBOPEGJD-CBZIJGRNSA-N 2 2 350.507 0.964 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111836207 846228077 /nfs/dbraw/zinc/22/80/77/846228077.db2.gz SJQJHMNRRKUSOU-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111836207 846228090 /nfs/dbraw/zinc/22/80/90/846228090.db2.gz SJQJHMNRRKUSOU-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111836207 846228102 /nfs/dbraw/zinc/22/81/02/846228102.db2.gz SJQJHMNRRKUSOU-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111836207 846228114 /nfs/dbraw/zinc/22/81/14/846228114.db2.gz SJQJHMNRRKUSOU-BXWFABGCSA-N 2 2 350.507 0.920 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112190102 846448964 /nfs/dbraw/zinc/44/89/64/846448964.db2.gz LGYPFYQORMWNMJ-CHWSQXEVSA-N 2 2 362.400 0.636 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112190102 846448969 /nfs/dbraw/zinc/44/89/69/846448969.db2.gz LGYPFYQORMWNMJ-CHWSQXEVSA-N 2 2 362.400 0.636 20 0 FCADLP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112193013 846451589 /nfs/dbraw/zinc/45/15/89/846451589.db2.gz FYGGPPSZAADRTG-VXGBXAGGSA-N 2 2 361.368 0.030 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001112205826 846463219 /nfs/dbraw/zinc/46/32/19/846463219.db2.gz BYWRLMWALDBTNR-VXGBXAGGSA-N 2 2 361.368 0.259 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112215391 846471475 /nfs/dbraw/zinc/47/14/75/846471475.db2.gz COYOXZYWSFNIPV-QJPTWQEYSA-N 2 2 361.368 0.516 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570126 846526291 /nfs/dbraw/zinc/52/62/91/846526291.db2.gz FZCSCIFODTUFAF-MPGHIAIKSA-N 2 2 350.463 0.486 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001113008117 846540031 /nfs/dbraw/zinc/54/00/31/846540031.db2.gz GHTTZPBLXPFASK-IXDOHACOSA-N 2 2 355.479 0.045 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](CCCO[C@H]3CCOC3)CC2)O1 ZINC001113008117 846540042 /nfs/dbraw/zinc/54/00/42/846540042.db2.gz GHTTZPBLXPFASK-IXDOHACOSA-N 2 2 355.479 0.045 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020417 848059303 /nfs/dbraw/zinc/05/93/03/848059303.db2.gz RZQCJRDDWJUBPQ-RDJZCZTQSA-N 2 2 356.536 0.835 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001120020417 848059311 /nfs/dbraw/zinc/05/93/11/848059311.db2.gz RZQCJRDDWJUBPQ-RDJZCZTQSA-N 2 2 356.536 0.835 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)CN1CC[NH+]1CCOCC1 ZINC001120495670 848220490 /nfs/dbraw/zinc/22/04/90/848220490.db2.gz RGVQMYNTFYRGMD-IRXDYDNUSA-N 2 2 367.877 0.896 20 0 FCADLP C[C@@H](NC(=O)NCCCCCN1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC001120596706 848251718 /nfs/dbraw/zinc/25/17/18/848251718.db2.gz JCRLRFBXNQRLLQ-IAGOWNOFSA-N 2 2 355.527 0.470 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129940998 848919306 /nfs/dbraw/zinc/91/93/06/848919306.db2.gz DTEFFZPWIQQGGZ-UQYDRJLZSA-N 2 2 363.853 0.738 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001129986965 848926617 /nfs/dbraw/zinc/92/66/17/848926617.db2.gz SISKFCSANVVBHH-KGLIPLIRSA-N 2 2 364.479 0.013 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CCC3)n2C)O1 ZINC001130182277 848960748 /nfs/dbraw/zinc/96/07/48/848960748.db2.gz AUKNFBWFTZTEOX-TZMCWYRMSA-N 2 2 350.467 0.008 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CCC3)n2C)O1 ZINC001130182277 848960752 /nfs/dbraw/zinc/96/07/52/848960752.db2.gz AUKNFBWFTZTEOX-TZMCWYRMSA-N 2 2 350.467 0.008 20 0 FCADLP CC[C@H](C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1)[NH+](C)C ZINC001130220814 848978803 /nfs/dbraw/zinc/97/88/03/848978803.db2.gz MPLRBPCHNUCEJM-XQQFMLRXSA-N 2 2 356.446 0.193 20 0 FCADLP CC[C@H](C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1)[NH+](C)C ZINC001130220814 848978809 /nfs/dbraw/zinc/97/88/09/848978809.db2.gz MPLRBPCHNUCEJM-XQQFMLRXSA-N 2 2 356.446 0.193 20 0 FCADLP O=C(NCC[NH2+]CCOC1CCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614094 849131460 /nfs/dbraw/zinc/13/14/60/849131460.db2.gz YHXCKWSVBLUYPM-SJORKVTESA-N 2 2 355.479 0.141 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC001142467798 849446035 /nfs/dbraw/zinc/44/60/35/849446035.db2.gz BKAAGQZSSVPNAP-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)CC1 ZINC001142467798 849446038 /nfs/dbraw/zinc/44/60/38/849446038.db2.gz BKAAGQZSSVPNAP-MRXNPFEDSA-N 2 2 350.507 0.873 20 0 FCADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142629642 849456684 /nfs/dbraw/zinc/45/66/84/849456684.db2.gz UGYDRYIZLPJCFW-AWEZNQCLSA-N 2 2 368.459 0.093 20 0 FCADLP CCCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734307 849646859 /nfs/dbraw/zinc/64/68/59/849646859.db2.gz WYYVOXRIEHXGFV-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149734307 849646861 /nfs/dbraw/zinc/64/68/61/849646861.db2.gz WYYVOXRIEHXGFV-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001149734307 849646865 /nfs/dbraw/zinc/64/68/65/849646865.db2.gz WYYVOXRIEHXGFV-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CCCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149734307 849646868 /nfs/dbraw/zinc/64/68/68/849646868.db2.gz WYYVOXRIEHXGFV-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP C[NH+](C)C1(CNc2ncc(S(N)(=O)=O)cc2Cl)CC[NH+](C)CC1 ZINC001156182470 849893283 /nfs/dbraw/zinc/89/32/83/849893283.db2.gz VATQQMGBXFUBOA-UHFFFAOYSA-N 2 2 361.899 0.820 20 0 FCADLP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157626979 849985673 /nfs/dbraw/zinc/98/56/73/849985673.db2.gz KQAWWENEKZQXGP-HKUYNNGSSA-N 3 2 350.507 0.289 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2nc3scnc3c(N3CCOCC3)n2)CC1 ZINC001157914511 850004941 /nfs/dbraw/zinc/00/49/41/850004941.db2.gz GSXLCQRNJLHOKJ-UHFFFAOYSA-N 2 2 362.463 0.517 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001158006992 850010986 /nfs/dbraw/zinc/01/09/86/850010986.db2.gz PDKYWLKGNLCATF-UKRRQHHQSA-N 2 2 351.472 0.860 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C ZINC001158006744 850011078 /nfs/dbraw/zinc/01/10/78/850011078.db2.gz NRIMMLCNKUVKTL-GJZGRUSLSA-N 2 2 353.850 0.834 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001158209226 850023047 /nfs/dbraw/zinc/02/30/47/850023047.db2.gz LZECPYYYOLCXRM-CYBMUJFWSA-N 2 2 365.459 0.304 20 0 FCADLP CCNS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158266551 850031944 /nfs/dbraw/zinc/03/19/44/850031944.db2.gz CJPCTWUXXXXWIQ-ZDUSSCGKSA-N 2 2 353.492 0.382 20 0 FCADLP CCNS(=O)(=O)c1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158266551 850031954 /nfs/dbraw/zinc/03/19/54/850031954.db2.gz CJPCTWUXXXXWIQ-ZDUSSCGKSA-N 2 2 353.492 0.382 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001159076573 850094110 /nfs/dbraw/zinc/09/41/10/850094110.db2.gz JHEKUTRRGGOHNX-LUXYFRNMSA-N 2 2 353.463 0.369 20 0 FCADLP Cc1nc(CO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)[C@@H]3CCCO[C@H]23)cs1 ZINC001159506951 850120127 /nfs/dbraw/zinc/12/01/27/850120127.db2.gz IYKHLJISHXGMDN-ZIRHEVKLSA-N 2 2 366.487 0.416 20 0 FCADLP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160688689 850191652 /nfs/dbraw/zinc/19/16/52/850191652.db2.gz FJKDXSBQBQKFFZ-KGLIPLIRSA-N 2 2 366.487 0.530 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]cn1 ZINC001160740682 850196573 /nfs/dbraw/zinc/19/65/73/850196573.db2.gz AAGSAXMITWYYIL-MXWKQRLJSA-N 2 2 358.368 0.883 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc[nH+]1 ZINC001160740682 850196578 /nfs/dbraw/zinc/19/65/78/850196578.db2.gz AAGSAXMITWYYIL-MXWKQRLJSA-N 2 2 358.368 0.883 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001161236262 850241656 /nfs/dbraw/zinc/24/16/56/850241656.db2.gz BYWMRDHYXVICPP-QWHCGFSZSA-N 2 2 357.451 0.141 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001161236262 850241664 /nfs/dbraw/zinc/24/16/64/850241664.db2.gz BYWMRDHYXVICPP-QWHCGFSZSA-N 2 2 357.451 0.141 20 0 FCADLP O=C(N1CC[C@@H](n2cc(Br)cn2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161520562 850266327 /nfs/dbraw/zinc/26/63/27/850266327.db2.gz QXYUTURKAANAIZ-SUHUHFCYSA-N 2 2 354.252 0.371 20 0 FCADLP O=C(NCCC[NH2+]Cc1ccns1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995862 850342079 /nfs/dbraw/zinc/34/20/79/850342079.db2.gz HDIUWIFBPAVGTK-ZBFHGGJFSA-N 2 2 368.503 0.619 20 0 FCADLP CC(C)OCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163007713 850342254 /nfs/dbraw/zinc/34/22/54/850342254.db2.gz VDCOVWVATJZVNO-SJORKVTESA-N 2 2 357.495 0.387 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833090 862120931 /nfs/dbraw/zinc/12/09/31/862120931.db2.gz BFNRBOUKOMTSTC-PBHICJAKSA-N 2 2 363.449 0.505 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC(F)F)C2)C1 ZINC001277833090 862120935 /nfs/dbraw/zinc/12/09/35/862120935.db2.gz BFNRBOUKOMTSTC-PBHICJAKSA-N 2 2 363.449 0.505 20 0 FCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nc(Cl)nc3c2CC[NH2+]C3)cn1 ZINC001163412051 850366514 /nfs/dbraw/zinc/36/65/14/850366514.db2.gz MMIYCZWISOBLCO-NSHDSACASA-N 2 2 350.810 0.394 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835804 862123125 /nfs/dbraw/zinc/12/31/25/862123125.db2.gz MHBXCVKXFCQARJ-IAGOWNOFSA-N 3 2 354.539 0.469 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001277835807 862123557 /nfs/dbraw/zinc/12/35/57/862123557.db2.gz MHBXCVKXFCQARJ-IRXDYDNUSA-N 3 2 354.539 0.469 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837096 862124320 /nfs/dbraw/zinc/12/43/20/862124320.db2.gz UQCJOQWONLMOQA-ZFWWWQNUSA-N 2 2 367.412 0.555 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001277837096 862124323 /nfs/dbraw/zinc/12/43/23/862124323.db2.gz UQCJOQWONLMOQA-ZFWWWQNUSA-N 2 2 367.412 0.555 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837416 862124360 /nfs/dbraw/zinc/12/43/60/862124360.db2.gz XHQYEQFECGOCMI-FUHWJXTLSA-N 2 2 357.495 0.029 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837416 862124365 /nfs/dbraw/zinc/12/43/65/862124365.db2.gz XHQYEQFECGOCMI-FUHWJXTLSA-N 2 2 357.495 0.029 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837415 862124621 /nfs/dbraw/zinc/12/46/21/862124621.db2.gz XHQYEQFECGOCMI-AEFFLSMTSA-N 2 2 357.495 0.029 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CCCOC)C(=O)CO2 ZINC001277837415 862124626 /nfs/dbraw/zinc/12/46/26/862124626.db2.gz XHQYEQFECGOCMI-AEFFLSMTSA-N 2 2 357.495 0.029 20 0 FCADLP C[NH+](C)C1CCC(n2c[nH+]cc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])CC1 ZINC001168299820 850580459 /nfs/dbraw/zinc/58/04/59/850580459.db2.gz NQAHNRZPOIUXFG-PIMMBPRGSA-N 2 2 351.451 0.389 20 0 FCADLP CC(C)CNC(=O)c1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072459 850604643 /nfs/dbraw/zinc/60/46/43/850604643.db2.gz OCEUXPMLIUSAFV-SNVBAGLBSA-N 2 2 352.826 0.564 20 0 FCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]cnc3[nH]cc([S@@](C)=O)c32)O1 ZINC001170270054 850648908 /nfs/dbraw/zinc/64/89/08/850648908.db2.gz CZQHZJPEOHNTPJ-IROLLGQTSA-N 2 2 353.448 0.784 20 0 FCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1c2[nH+]ccn2ccc1I ZINC001170778325 850664915 /nfs/dbraw/zinc/66/49/15/850664915.db2.gz LIGWINNMQQKSJF-SCZZXKLOSA-N 2 2 358.183 0.931 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116359 850704713 /nfs/dbraw/zinc/70/47/13/850704713.db2.gz KQPFSTKATMQDTG-RDGPPVDQSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CCO2)C1 ZINC001172116359 850704700 /nfs/dbraw/zinc/70/47/00/850704700.db2.gz KQPFSTKATMQDTG-RDGPPVDQSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)C1 ZINC001172116359 850704706 /nfs/dbraw/zinc/70/47/06/850704706.db2.gz KQPFSTKATMQDTG-RDGPPVDQSA-N 2 2 351.491 0.951 20 0 FCADLP CC(=O)N1CCOC[C@@]2(C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)CCO2)C1 ZINC001172116359 850704720 /nfs/dbraw/zinc/70/47/20/850704720.db2.gz KQPFSTKATMQDTG-RDGPPVDQSA-N 2 2 351.491 0.951 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@H+](CC[NH3+])CCO)CC2=O)c(OC)c1 ZINC001173016380 850716981 /nfs/dbraw/zinc/71/69/81/850716981.db2.gz FGHALBGMUHXNMG-HNNXBMFYSA-N 2 2 351.447 0.448 20 0 FCADLP COc1ccc(CN2CC[C@H]([N@@H+](CC[NH3+])CCO)CC2=O)c(OC)c1 ZINC001173016380 850716988 /nfs/dbraw/zinc/71/69/88/850716988.db2.gz FGHALBGMUHXNMG-HNNXBMFYSA-N 2 2 351.447 0.448 20 0 FCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579476 850729884 /nfs/dbraw/zinc/72/98/84/850729884.db2.gz QNWBXRJUKZMIIS-ARKGTOAJSA-N 2 2 354.447 0.380 20 0 FCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579476 850729888 /nfs/dbraw/zinc/72/98/88/850729888.db2.gz QNWBXRJUKZMIIS-ARKGTOAJSA-N 2 2 354.447 0.380 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579476 850729892 /nfs/dbraw/zinc/72/98/92/850729892.db2.gz QNWBXRJUKZMIIS-ARKGTOAJSA-N 2 2 354.447 0.380 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001173579476 850729894 /nfs/dbraw/zinc/72/98/94/850729894.db2.gz QNWBXRJUKZMIIS-ARKGTOAJSA-N 2 2 354.447 0.380 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)NCC[NH2+]CCO)C1 ZINC001182296421 851168011 /nfs/dbraw/zinc/16/80/11/851168011.db2.gz GLNXUEIAIQFYCB-AWEZNQCLSA-N 2 2 358.483 0.016 20 0 FCADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)NCC[NH2+]CCO)C1 ZINC001182296421 851168014 /nfs/dbraw/zinc/16/80/14/851168014.db2.gz GLNXUEIAIQFYCB-AWEZNQCLSA-N 2 2 358.483 0.016 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262835 851886286 /nfs/dbraw/zinc/88/62/86/851886286.db2.gz IVLDQUQGIMAFLY-RRFJBIMHSA-N 2 2 361.433 0.522 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262835 851886289 /nfs/dbraw/zinc/88/62/89/851886289.db2.gz IVLDQUQGIMAFLY-RRFJBIMHSA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262835 851886291 /nfs/dbraw/zinc/88/62/91/851886291.db2.gz IVLDQUQGIMAFLY-RRFJBIMHSA-N 2 2 361.433 0.522 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC(F)F)C[C@H]32)C1 ZINC001190262835 851886293 /nfs/dbraw/zinc/88/62/93/851886293.db2.gz IVLDQUQGIMAFLY-RRFJBIMHSA-N 2 2 361.433 0.522 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480610 851910944 /nfs/dbraw/zinc/91/09/44/851910944.db2.gz GGUSFBQDKSCVAM-GVDBMIGSSA-N 2 2 350.463 0.449 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480610 851910948 /nfs/dbraw/zinc/91/09/48/851910948.db2.gz GGUSFBQDKSCVAM-GVDBMIGSSA-N 2 2 350.463 0.449 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)CC[N@@H+]1C ZINC001193102198 852354376 /nfs/dbraw/zinc/35/43/76/852354376.db2.gz FPOBEDLJQAHXNY-FDYHWXHSSA-N 2 2 353.385 0.067 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@H]2O)CC[N@H+]1C ZINC001193102198 852354380 /nfs/dbraw/zinc/35/43/80/852354380.db2.gz FPOBEDLJQAHXNY-FDYHWXHSSA-N 2 2 353.385 0.067 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001193102198 852354385 /nfs/dbraw/zinc/35/43/85/852354385.db2.gz FPOBEDLJQAHXNY-FDYHWXHSSA-N 2 2 353.385 0.067 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@H]2O)CC[NH+]1C ZINC001193102198 852354391 /nfs/dbraw/zinc/35/43/91/852354391.db2.gz FPOBEDLJQAHXNY-FDYHWXHSSA-N 2 2 353.385 0.067 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O)[NH+](C)C ZINC001194095934 852535783 /nfs/dbraw/zinc/53/57/83/852535783.db2.gz WIDCFUVKDOVQQR-BRWVUGGUSA-N 2 2 351.495 0.774 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@H]1O)[NH+](C)C ZINC001194095934 852535786 /nfs/dbraw/zinc/53/57/86/852535786.db2.gz WIDCFUVKDOVQQR-BRWVUGGUSA-N 2 2 351.495 0.774 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001194243987 852563835 /nfs/dbraw/zinc/56/38/35/852563835.db2.gz GFBHFXXMUGODGN-ARFHVFGLSA-N 2 2 350.463 0.424 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001194243987 852563836 /nfs/dbraw/zinc/56/38/36/852563836.db2.gz GFBHFXXMUGODGN-ARFHVFGLSA-N 2 2 350.463 0.424 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001195900004 852845004 /nfs/dbraw/zinc/84/50/04/852845004.db2.gz GOEXAOYCXGLNFP-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CCCS(C)(=O)=O)CC2)CC[N@H+]1C ZINC001195900004 852845012 /nfs/dbraw/zinc/84/50/12/852845012.db2.gz GOEXAOYCXGLNFP-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001195900004 852845015 /nfs/dbraw/zinc/84/50/15/852845015.db2.gz GOEXAOYCXGLNFP-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CCCS(C)(=O)=O)CC2)CC[NH+]1C ZINC001195900004 852845022 /nfs/dbraw/zinc/84/50/22/852845022.db2.gz GOEXAOYCXGLNFP-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O)CC(C)(C)C ZINC001196199138 852911573 /nfs/dbraw/zinc/91/15/73/852911573.db2.gz CIAMEXIMCZGTRY-ZIAGYGMSSA-N 2 2 356.511 0.040 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1O)CC(C)(C)C ZINC001196199138 852911576 /nfs/dbraw/zinc/91/15/76/852911576.db2.gz CIAMEXIMCZGTRY-ZIAGYGMSSA-N 2 2 356.511 0.040 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1O)CC(C)(C)C ZINC001196199138 852911580 /nfs/dbraw/zinc/91/15/80/852911580.db2.gz CIAMEXIMCZGTRY-ZIAGYGMSSA-N 2 2 356.511 0.040 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1O)CC(C)(C)C ZINC001196199138 852911585 /nfs/dbraw/zinc/91/15/85/852911585.db2.gz CIAMEXIMCZGTRY-ZIAGYGMSSA-N 2 2 356.511 0.040 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001196267561 852928328 /nfs/dbraw/zinc/92/83/28/852928328.db2.gz BSJSKMWAUAYRNL-OWCLPIDISA-N 2 2 356.511 0.133 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001196267561 852928335 /nfs/dbraw/zinc/92/83/35/852928335.db2.gz BSJSKMWAUAYRNL-OWCLPIDISA-N 2 2 356.511 0.133 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926778 853187675 /nfs/dbraw/zinc/18/76/75/853187675.db2.gz WWPZANBNUGGZNT-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926778 853187679 /nfs/dbraw/zinc/18/76/79/853187679.db2.gz WWPZANBNUGGZNT-ARFHVFGLSA-N 2 2 356.511 0.184 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001198007904 853204543 /nfs/dbraw/zinc/20/45/43/853204543.db2.gz SJWVETFTVGOKOL-UHFFFAOYSA-N 3 2 370.519 0.431 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001198007904 853204546 /nfs/dbraw/zinc/20/45/46/853204546.db2.gz SJWVETFTVGOKOL-UHFFFAOYSA-N 3 2 370.519 0.431 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001198029699 853207803 /nfs/dbraw/zinc/20/78/03/853207803.db2.gz VVVZCQLRMUHHKP-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001198029699 853207813 /nfs/dbraw/zinc/20/78/13/853207813.db2.gz VVVZCQLRMUHHKP-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001198029699 853207826 /nfs/dbraw/zinc/20/78/26/853207826.db2.gz VVVZCQLRMUHHKP-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1O ZINC001198029699 853207834 /nfs/dbraw/zinc/20/78/34/853207834.db2.gz VVVZCQLRMUHHKP-HZPDHXFCSA-N 2 2 351.495 0.641 20 0 FCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cccc(NS(C)(=O)=O)c1)C2 ZINC001278751589 862450875 /nfs/dbraw/zinc/45/08/75/862450875.db2.gz FXZNGSDKAZCDNG-UHFFFAOYSA-N 2 2 352.504 0.737 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001199023966 853356647 /nfs/dbraw/zinc/35/66/47/853356647.db2.gz WNSIQIMHAHSPIB-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001199023966 853356659 /nfs/dbraw/zinc/35/66/59/853356659.db2.gz WNSIQIMHAHSPIB-ZIAGYGMSSA-N 2 2 367.412 0.603 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104359 853369090 /nfs/dbraw/zinc/36/90/90/853369090.db2.gz KXNGTDOUODKJAU-FVQBIDKESA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104359 853369093 /nfs/dbraw/zinc/36/90/93/853369093.db2.gz KXNGTDOUODKJAU-FVQBIDKESA-N 2 2 356.511 0.181 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104359 853369102 /nfs/dbraw/zinc/36/91/02/853369102.db2.gz KXNGTDOUODKJAU-FVQBIDKESA-N 2 2 356.511 0.181 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC001199936750 853463660 /nfs/dbraw/zinc/46/36/60/853463660.db2.gz JJKDTDMAXYEQLT-UHFFFAOYSA-N 2 2 356.536 0.380 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001199941637 853464680 /nfs/dbraw/zinc/46/46/80/853464680.db2.gz JLZPWNLEXNJFMQ-CALCHBBNSA-N 2 2 368.547 0.378 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001199941637 853464684 /nfs/dbraw/zinc/46/46/84/853464684.db2.gz JLZPWNLEXNJFMQ-CALCHBBNSA-N 2 2 368.547 0.378 20 0 FCADLP Cc1nc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)co1 ZINC001206061130 853653630 /nfs/dbraw/zinc/65/36/30/853653630.db2.gz LZWSIXQSIVUZEK-UHFFFAOYSA-N 2 2 350.463 0.986 20 0 FCADLP Cc1nc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)co1 ZINC001206061130 853653638 /nfs/dbraw/zinc/65/36/38/853653638.db2.gz LZWSIXQSIVUZEK-UHFFFAOYSA-N 2 2 350.463 0.986 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919011 853751356 /nfs/dbraw/zinc/75/13/56/853751356.db2.gz CNSCWPGQAHALSO-ZIAGYGMSSA-N 2 2 371.507 0.060 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919011 853751358 /nfs/dbraw/zinc/75/13/58/853751358.db2.gz CNSCWPGQAHALSO-ZIAGYGMSSA-N 2 2 371.507 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551239 853823369 /nfs/dbraw/zinc/82/33/69/853823369.db2.gz YFWMJTVGYXCBEY-FVQBIDKESA-N 2 2 371.547 0.588 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207551239 853823372 /nfs/dbraw/zinc/82/33/72/853823372.db2.gz YFWMJTVGYXCBEY-FVQBIDKESA-N 2 2 371.547 0.588 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762127 853855418 /nfs/dbraw/zinc/85/54/18/853855418.db2.gz QDIGQGTWXCGEEL-OWCLPIDISA-N 2 2 350.463 0.545 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001207762127 853855425 /nfs/dbraw/zinc/85/54/25/853855425.db2.gz QDIGQGTWXCGEEL-OWCLPIDISA-N 2 2 350.463 0.545 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)C2 ZINC001207761123 853855747 /nfs/dbraw/zinc/85/57/47/853855747.db2.gz GVIOQQICRGRIFQ-HACGYAERSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)C2 ZINC001207761123 853855748 /nfs/dbraw/zinc/85/57/48/853855748.db2.gz GVIOQQICRGRIFQ-HACGYAERSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)CC2 ZINC001207761123 853855749 /nfs/dbraw/zinc/85/57/49/853855749.db2.gz GVIOQQICRGRIFQ-HACGYAERSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)CC2 ZINC001207761123 853855750 /nfs/dbraw/zinc/85/57/50/853855750.db2.gz GVIOQQICRGRIFQ-HACGYAERSA-N 2 2 350.463 0.268 20 0 FCADLP COc1coc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1=O ZINC001208441459 853934888 /nfs/dbraw/zinc/93/48/88/853934888.db2.gz GUENJXRFCLQXQR-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP COc1coc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1=O ZINC001208441459 853934890 /nfs/dbraw/zinc/93/48/90/853934890.db2.gz GUENJXRFCLQXQR-UKRRQHHQSA-N 2 2 351.447 0.927 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208528038 853946426 /nfs/dbraw/zinc/94/64/26/853946426.db2.gz YQMKFSLQTCYVSZ-BFYDXBDKSA-N 2 2 356.511 0.162 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208528038 853946429 /nfs/dbraw/zinc/94/64/29/853946429.db2.gz YQMKFSLQTCYVSZ-BFYDXBDKSA-N 2 2 356.511 0.162 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001208591256 853957127 /nfs/dbraw/zinc/95/71/27/853957127.db2.gz SNHOAVOJYWTOBZ-ARFHVFGLSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[NH+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001208591256 853957130 /nfs/dbraw/zinc/95/71/30/853957130.db2.gz SNHOAVOJYWTOBZ-ARFHVFGLSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591256 853957134 /nfs/dbraw/zinc/95/71/34/853957134.db2.gz SNHOAVOJYWTOBZ-ARFHVFGLSA-N 2 2 371.547 0.590 20 0 FCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001208591256 853957137 /nfs/dbraw/zinc/95/71/37/853957137.db2.gz SNHOAVOJYWTOBZ-ARFHVFGLSA-N 2 2 371.547 0.590 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330160 854101992 /nfs/dbraw/zinc/10/19/92/854101992.db2.gz PQGAXFZTXCZAOQ-HZPDHXFCSA-N 2 2 371.547 0.732 20 0 FCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330160 854101995 /nfs/dbraw/zinc/10/19/95/854101995.db2.gz PQGAXFZTXCZAOQ-HZPDHXFCSA-N 2 2 371.547 0.732 20 0 FCADLP CN(C)c1ncc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1Br ZINC001211757837 854238200 /nfs/dbraw/zinc/23/82/00/854238200.db2.gz SWZCBSHRXRWNMW-WPRPVWTQSA-N 2 2 353.224 0.974 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212027936 854337445 /nfs/dbraw/zinc/33/74/45/854337445.db2.gz GXKNVETZUFPLRT-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212027936 854337449 /nfs/dbraw/zinc/33/74/49/854337449.db2.gz GXKNVETZUFPLRT-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001212027936 854337453 /nfs/dbraw/zinc/33/74/53/854337453.db2.gz GXKNVETZUFPLRT-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001212027936 854337461 /nfs/dbraw/zinc/33/74/61/854337461.db2.gz GXKNVETZUFPLRT-JHJVBQTASA-N 2 2 353.385 0.475 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212353705 854448361 /nfs/dbraw/zinc/44/83/61/854448361.db2.gz YZBYPCFRVMMVBI-ARFHVFGLSA-N 2 2 356.442 0.978 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212353705 854448366 /nfs/dbraw/zinc/44/83/66/854448366.db2.gz YZBYPCFRVMMVBI-ARFHVFGLSA-N 2 2 356.442 0.978 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430424 854475249 /nfs/dbraw/zinc/47/52/49/854475249.db2.gz MXQCLUNFVHVYPK-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430424 854475251 /nfs/dbraw/zinc/47/52/51/854475251.db2.gz MXQCLUNFVHVYPK-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430424 854475252 /nfs/dbraw/zinc/47/52/52/854475252.db2.gz MXQCLUNFVHVYPK-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430424 854475254 /nfs/dbraw/zinc/47/52/54/854475254.db2.gz MXQCLUNFVHVYPK-ARFHVFGLSA-N 2 2 354.495 0.202 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212460129 854487251 /nfs/dbraw/zinc/48/72/51/854487251.db2.gz DUZSGOVHWKYAPE-DPOFCPOHSA-N 2 2 359.898 0.913 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212460129 854487256 /nfs/dbraw/zinc/48/72/56/854487256.db2.gz DUZSGOVHWKYAPE-DPOFCPOHSA-N 2 2 359.898 0.913 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212460132 854488025 /nfs/dbraw/zinc/48/80/25/854488025.db2.gz DUZSGOVHWKYAPE-ZYDHHDLOSA-N 2 2 359.898 0.913 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212460132 854488028 /nfs/dbraw/zinc/48/80/28/854488028.db2.gz DUZSGOVHWKYAPE-ZYDHHDLOSA-N 2 2 359.898 0.913 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001212476933 854494641 /nfs/dbraw/zinc/49/46/41/854494641.db2.gz KBJZUERVIGUTSM-DJIMGWMZSA-N 2 2 350.463 0.686 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001212476933 854494645 /nfs/dbraw/zinc/49/46/45/854494645.db2.gz KBJZUERVIGUTSM-DJIMGWMZSA-N 2 2 350.463 0.686 20 0 FCADLP COCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485099 854498599 /nfs/dbraw/zinc/49/85/99/854498599.db2.gz RUFOGIVFNPPKTH-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001212485099 854498609 /nfs/dbraw/zinc/49/86/09/854498609.db2.gz RUFOGIVFNPPKTH-USXIJHARSA-N 2 2 350.463 0.688 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](OC)C1 ZINC001212485085 854498909 /nfs/dbraw/zinc/49/89/09/854498909.db2.gz REHFZJDPSTYPAZ-KBRIMQKVSA-N 2 2 350.463 0.675 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@H](OC)C1 ZINC001212485085 854498910 /nfs/dbraw/zinc/49/89/10/854498910.db2.gz REHFZJDPSTYPAZ-KBRIMQKVSA-N 2 2 350.463 0.675 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](OC)C1 ZINC001212485085 854498911 /nfs/dbraw/zinc/49/89/11/854498911.db2.gz REHFZJDPSTYPAZ-KBRIMQKVSA-N 2 2 350.463 0.675 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@H](OC)C1 ZINC001212485085 854498912 /nfs/dbraw/zinc/49/89/12/854498912.db2.gz REHFZJDPSTYPAZ-KBRIMQKVSA-N 2 2 350.463 0.675 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323022 854572855 /nfs/dbraw/zinc/57/28/55/854572855.db2.gz ZUZKOCHYPCFZMN-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323022 854572861 /nfs/dbraw/zinc/57/28/61/854572861.db2.gz ZUZKOCHYPCFZMN-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323022 854572866 /nfs/dbraw/zinc/57/28/66/854572866.db2.gz ZUZKOCHYPCFZMN-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2OC)C1 ZINC001213323022 854572871 /nfs/dbraw/zinc/57/28/71/854572871.db2.gz ZUZKOCHYPCFZMN-ARFHVFGLSA-N 2 2 354.495 0.060 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001213336367 854579289 /nfs/dbraw/zinc/57/92/89/854579289.db2.gz WUVIMGLFYJXXIU-FVQBIDKESA-N 2 2 353.463 0.931 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001213336367 854579296 /nfs/dbraw/zinc/57/92/96/854579296.db2.gz WUVIMGLFYJXXIU-FVQBIDKESA-N 2 2 353.463 0.931 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213337956 854580110 /nfs/dbraw/zinc/58/01/10/854580110.db2.gz LBROIMGHBJPUMB-ZIAGYGMSSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213337956 854580116 /nfs/dbraw/zinc/58/01/16/854580116.db2.gz LBROIMGHBJPUMB-ZIAGYGMSSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342181 854582413 /nfs/dbraw/zinc/58/24/13/854582413.db2.gz KQNBKPZKKPOYQL-GDBMZVCRSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342181 854582427 /nfs/dbraw/zinc/58/24/27/854582427.db2.gz KQNBKPZKKPOYQL-GDBMZVCRSA-N 2 2 350.463 0.949 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346309 854583779 /nfs/dbraw/zinc/58/37/79/854583779.db2.gz HEJGFIHRJGSGNQ-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346309 854583783 /nfs/dbraw/zinc/58/37/83/854583783.db2.gz HEJGFIHRJGSGNQ-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001213458114 854625521 /nfs/dbraw/zinc/62/55/21/854625521.db2.gz LVJAAQPQIYYISW-KCYZZUKISA-N 2 2 350.463 0.764 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC(C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001213458114 854625524 /nfs/dbraw/zinc/62/55/24/854625524.db2.gz LVJAAQPQIYYISW-KCYZZUKISA-N 2 2 350.463 0.764 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655661 854702911 /nfs/dbraw/zinc/70/29/11/854702911.db2.gz WYGCLGSBKXPFEL-HZPDHXFCSA-N 2 2 354.495 0.058 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655661 854702917 /nfs/dbraw/zinc/70/29/17/854702917.db2.gz WYGCLGSBKXPFEL-HZPDHXFCSA-N 2 2 354.495 0.058 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747993 854749283 /nfs/dbraw/zinc/74/92/83/854749283.db2.gz ZDBDGITWBOLORM-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747993 854749292 /nfs/dbraw/zinc/74/92/92/854749292.db2.gz ZDBDGITWBOLORM-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213757318 854752467 /nfs/dbraw/zinc/75/24/67/854752467.db2.gz CVQDRKDXFVPUFL-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213757318 854752474 /nfs/dbraw/zinc/75/24/74/854752474.db2.gz CVQDRKDXFVPUFL-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213757318 854752484 /nfs/dbraw/zinc/75/24/84/854752484.db2.gz CVQDRKDXFVPUFL-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001213757318 854752494 /nfs/dbraw/zinc/75/24/94/854752494.db2.gz CVQDRKDXFVPUFL-HZPDHXFCSA-N 2 2 350.463 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860051 854796042 /nfs/dbraw/zinc/79/60/42/854796042.db2.gz RHAUZFKZRVRSFY-YNEHKIRRSA-N 2 2 353.385 0.211 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001213860051 854796049 /nfs/dbraw/zinc/79/60/49/854796049.db2.gz RHAUZFKZRVRSFY-YNEHKIRRSA-N 2 2 353.385 0.211 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888185 854813165 /nfs/dbraw/zinc/81/31/65/854813165.db2.gz UKDMNLPPUBLBHP-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888185 854813168 /nfs/dbraw/zinc/81/31/68/854813168.db2.gz UKDMNLPPUBLBHP-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888185 854813170 /nfs/dbraw/zinc/81/31/70/854813170.db2.gz UKDMNLPPUBLBHP-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888185 854813174 /nfs/dbraw/zinc/81/31/74/854813174.db2.gz UKDMNLPPUBLBHP-BRWVUGGUSA-N 2 2 357.495 0.195 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213917022 854823868 /nfs/dbraw/zinc/82/38/68/854823868.db2.gz XEVZHEHACQAMJU-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213917022 854823869 /nfs/dbraw/zinc/82/38/69/854823869.db2.gz XEVZHEHACQAMJU-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)n1cc[nH+]c1 ZINC001214917211 855033756 /nfs/dbraw/zinc/03/37/56/855033756.db2.gz QGDLRXXZLFNXQJ-ZACQAIPSSA-N 2 2 352.479 0.916 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)CS(C)(=O)=O ZINC001215199901 855080746 /nfs/dbraw/zinc/08/07/46/855080746.db2.gz KTDHAVXVXHAMCE-RRFJBIMHSA-N 2 2 370.519 0.470 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215268934 855092414 /nfs/dbraw/zinc/09/24/14/855092414.db2.gz DEJKMBSBIBMWGY-HUUCEWRRSA-N 2 2 368.503 0.535 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215514212 855123606 /nfs/dbraw/zinc/12/36/06/855123606.db2.gz FEBCDFVOYKUBFV-MBNYWOFBSA-N 2 2 354.476 0.311 20 0 FCADLP Cc1nnc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)s1 ZINC001215680909 855135469 /nfs/dbraw/zinc/13/54/69/855135469.db2.gz ODCZIJUUFFSBMP-BXKDBHETSA-N 2 2 363.447 0.187 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001215680543 855135716 /nfs/dbraw/zinc/13/57/16/855135716.db2.gz AUHHTKRWQSLZAH-TZMCWYRMSA-N 2 2 354.476 0.214 20 0 FCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392922 855198660 /nfs/dbraw/zinc/19/86/60/855198660.db2.gz TXDOEMWMKSVZBM-DJIMGWMZSA-N 2 2 352.479 0.433 20 0 FCADLP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC001216402188 855199561 /nfs/dbraw/zinc/19/95/61/855199561.db2.gz XECUZJOVFOPOPV-GHMZBOCLSA-N 2 2 361.393 0.522 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802868 855247166 /nfs/dbraw/zinc/24/71/66/855247166.db2.gz JZCRSVVWNMLBEG-NXHRZFHOSA-N 2 2 353.507 0.960 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216826591 855250881 /nfs/dbraw/zinc/25/08/81/855250881.db2.gz NTIPTWJZAPZKSC-UKRRQHHQSA-N 2 2 364.515 0.631 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216826591 855250885 /nfs/dbraw/zinc/25/08/85/855250885.db2.gz NTIPTWJZAPZKSC-UKRRQHHQSA-N 2 2 364.515 0.631 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001217010533 855275233 /nfs/dbraw/zinc/27/52/33/855275233.db2.gz RTKYFLUXEAOTGZ-CHWSQXEVSA-N 2 2 362.459 0.439 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001218396511 855422970 /nfs/dbraw/zinc/42/29/70/855422970.db2.gz NDLGIHFAKQDSJK-DLBZAZTESA-N 2 2 350.463 1.000 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001218396511 855422976 /nfs/dbraw/zinc/42/29/76/855422976.db2.gz NDLGIHFAKQDSJK-DLBZAZTESA-N 2 2 350.463 1.000 20 0 FCADLP COC(=O)c1nc(Br)cnc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218525075 855434065 /nfs/dbraw/zinc/43/40/65/855434065.db2.gz ROYBFVIRJNYGNP-FWXDICJISA-N 2 2 370.207 0.186 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581336 855443743 /nfs/dbraw/zinc/44/37/43/855443743.db2.gz BTLGEAROYWCYBF-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581336 855443747 /nfs/dbraw/zinc/44/37/47/855443747.db2.gz BTLGEAROYWCYBF-HRCADAONSA-N 2 2 354.495 0.107 20 0 FCADLP N=c1nnc(-c2cccc(Cl)c2Cl)c(N)n1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218603171 855447447 /nfs/dbraw/zinc/44/74/47/855447447.db2.gz WBIOBJRDPCFLFZ-RCOVLWMOSA-N 2 2 368.228 0.643 20 0 FCADLP Nc1ncc(Br)nc1N(CC1CC1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218635484 855455113 /nfs/dbraw/zinc/45/51/13/855455113.db2.gz FNJOQGRMQORCCY-IUCAKERBSA-N 2 2 355.240 0.111 20 0 FCADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668940 855460665 /nfs/dbraw/zinc/46/06/65/855460665.db2.gz KUFNWGAOZLYQFN-INIZCTEOSA-N 3 2 352.483 0.213 20 0 FCADLP NC(=O)c1cc(Br)ccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218843696 855484965 /nfs/dbraw/zinc/48/49/65/855484965.db2.gz LQFXWVNVFFKXAO-JTQLQIEISA-N 2 2 352.192 0.780 20 0 FCADLP NC(=O)c1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218842614 855485068 /nfs/dbraw/zinc/48/50/68/855485068.db2.gz AATCVRLUFGXTMH-UHFFFAOYSA-N 2 2 355.236 0.828 20 0 FCADLP CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218895007 855492853 /nfs/dbraw/zinc/49/28/53/855492853.db2.gz YVNHQTJXNYSYAY-LBPRGKRZSA-N 2 2 351.432 0.605 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919091 855495833 /nfs/dbraw/zinc/49/58/33/855495833.db2.gz NLJKZDLPPNDXDQ-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919091 855495835 /nfs/dbraw/zinc/49/58/35/855495835.db2.gz NLJKZDLPPNDXDQ-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218919091 855495837 /nfs/dbraw/zinc/49/58/37/855495837.db2.gz NLJKZDLPPNDXDQ-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218919091 855495839 /nfs/dbraw/zinc/49/58/39/855495839.db2.gz NLJKZDLPPNDXDQ-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP COC(=O)Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1F ZINC001218928748 855498703 /nfs/dbraw/zinc/49/87/03/855498703.db2.gz GLBICDNCFSKRIP-LBPRGKRZSA-N 2 2 352.341 0.922 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010426 855511772 /nfs/dbraw/zinc/51/17/72/855511772.db2.gz QTRPKUWCRCERJW-DLBZAZTESA-N 2 2 350.463 0.989 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001219010426 855511773 /nfs/dbraw/zinc/51/17/73/855511773.db2.gz QTRPKUWCRCERJW-DLBZAZTESA-N 2 2 350.463 0.989 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032188 855518786 /nfs/dbraw/zinc/51/87/86/855518786.db2.gz UHMOEOHJYMSFAB-HZSPNIEDSA-N 2 2 365.396 0.429 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032188 855518791 /nfs/dbraw/zinc/51/87/91/855518791.db2.gz UHMOEOHJYMSFAB-HZSPNIEDSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032188 855518794 /nfs/dbraw/zinc/51/87/94/855518794.db2.gz UHMOEOHJYMSFAB-HZSPNIEDSA-N 2 2 365.396 0.429 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC(F)(F)F)C[C@@H]32)C1 ZINC001219032188 855518800 /nfs/dbraw/zinc/51/88/00/855518800.db2.gz UHMOEOHJYMSFAB-HZSPNIEDSA-N 2 2 365.396 0.429 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219055056 855529878 /nfs/dbraw/zinc/52/98/78/855529878.db2.gz ULCURKHUJZNZIQ-RRFJBIMHSA-N 2 2 361.433 0.662 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219055056 855529884 /nfs/dbraw/zinc/52/98/84/855529884.db2.gz ULCURKHUJZNZIQ-RRFJBIMHSA-N 2 2 361.433 0.662 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219055056 855529886 /nfs/dbraw/zinc/52/98/86/855529886.db2.gz ULCURKHUJZNZIQ-RRFJBIMHSA-N 2 2 361.433 0.662 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)C[C@@H]21 ZINC001219055056 855529891 /nfs/dbraw/zinc/52/98/91/855529891.db2.gz ULCURKHUJZNZIQ-RRFJBIMHSA-N 2 2 361.433 0.662 20 0 FCADLP COc1ccc(Br)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1C(N)=O ZINC001219078766 855539337 /nfs/dbraw/zinc/53/93/37/855539337.db2.gz OHMUJSGJXSLENM-XPUUQOCRSA-N 2 2 357.208 0.184 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411771 855662402 /nfs/dbraw/zinc/66/24/02/855662402.db2.gz WWSGHFKFVPXYTJ-AGIUHOORSA-N 2 2 353.385 0.211 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411771 855662406 /nfs/dbraw/zinc/66/24/06/855662406.db2.gz WWSGHFKFVPXYTJ-AGIUHOORSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411771 855662408 /nfs/dbraw/zinc/66/24/08/855662408.db2.gz WWSGHFKFVPXYTJ-AGIUHOORSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2O)C1 ZINC001219411771 855662411 /nfs/dbraw/zinc/66/24/11/855662411.db2.gz WWSGHFKFVPXYTJ-AGIUHOORSA-N 2 2 353.385 0.211 20 0 FCADLP O=C(NC1CCN(c2ccc(Cl)nn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219565798 855717203 /nfs/dbraw/zinc/71/72/03/855717203.db2.gz ODMCGYNAYCAKQA-BDJLRTHQSA-N 2 2 350.854 0.167 20 0 FCADLP [NH3+]C1(C(=O)N[C@@H](CO)[C@H](O)c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001219580095 855721279 /nfs/dbraw/zinc/72/12/79/855721279.db2.gz JPPUNBZCFASCLZ-QWHCGFSZSA-N 2 2 372.263 0.041 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1O ZINC001219665693 855761169 /nfs/dbraw/zinc/76/11/69/855761169.db2.gz TYJMKNHCGSYCGF-OAGGEKHMSA-N 2 2 352.479 0.983 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001219665693 855761178 /nfs/dbraw/zinc/76/11/78/855761178.db2.gz TYJMKNHCGSYCGF-OAGGEKHMSA-N 2 2 352.479 0.983 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001219732151 855790224 /nfs/dbraw/zinc/79/02/24/855790224.db2.gz PACGKEZHGRZBPW-XQQFMLRXSA-N 2 2 355.401 0.109 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001219732151 855790229 /nfs/dbraw/zinc/79/02/29/855790229.db2.gz PACGKEZHGRZBPW-XQQFMLRXSA-N 2 2 355.401 0.109 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219796811 855817232 /nfs/dbraw/zinc/81/72/32/855817232.db2.gz REZGHOVRYQBZBC-OAGGEKHMSA-N 2 2 350.463 0.594 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001219796811 855817240 /nfs/dbraw/zinc/81/72/40/855817240.db2.gz REZGHOVRYQBZBC-OAGGEKHMSA-N 2 2 350.463 0.594 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804437 855822777 /nfs/dbraw/zinc/82/27/77/855822777.db2.gz WGIGGCDWXUCQJE-PMPSAXMXSA-N 2 2 352.504 0.761 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804437 855822781 /nfs/dbraw/zinc/82/27/81/855822781.db2.gz WGIGGCDWXUCQJE-PMPSAXMXSA-N 2 2 352.504 0.761 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815640 855829918 /nfs/dbraw/zinc/82/99/18/855829918.db2.gz CEXLAFQKSXCAIJ-OLZOCXBDSA-N 2 2 353.385 0.211 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815640 855829920 /nfs/dbraw/zinc/82/99/20/855829920.db2.gz CEXLAFQKSXCAIJ-OLZOCXBDSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815640 855829922 /nfs/dbraw/zinc/82/99/22/855829922.db2.gz CEXLAFQKSXCAIJ-OLZOCXBDSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)C1CCC1 ZINC001219815640 855829927 /nfs/dbraw/zinc/82/99/27/855829927.db2.gz CEXLAFQKSXCAIJ-OLZOCXBDSA-N 2 2 353.385 0.211 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219874653 855856188 /nfs/dbraw/zinc/85/61/88/855856188.db2.gz BSJSKMWAUAYRNL-OAGGEKHMSA-N 2 2 356.511 0.133 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001219874653 855856194 /nfs/dbraw/zinc/85/61/94/855856194.db2.gz BSJSKMWAUAYRNL-OAGGEKHMSA-N 2 2 356.511 0.133 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894267 855866588 /nfs/dbraw/zinc/86/65/88/855866588.db2.gz XWAWVZYBABGCEV-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894267 855866597 /nfs/dbraw/zinc/86/65/97/855866597.db2.gz XWAWVZYBABGCEV-OIISXLGYSA-N 2 2 350.463 0.424 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908753 855876166 /nfs/dbraw/zinc/87/61/66/855876166.db2.gz RIRWRTFEUMNUHS-OAGGEKHMSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001219908753 855876170 /nfs/dbraw/zinc/87/61/70/855876170.db2.gz RIRWRTFEUMNUHS-OAGGEKHMSA-N 2 2 350.463 0.422 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922979 855879332 /nfs/dbraw/zinc/87/93/32/855879332.db2.gz RLDZVSSLOFWMEX-KFWWJZLASA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922979 855879334 /nfs/dbraw/zinc/87/93/34/855879334.db2.gz RLDZVSSLOFWMEX-KFWWJZLASA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922979 855879336 /nfs/dbraw/zinc/87/93/36/855879336.db2.gz RLDZVSSLOFWMEX-KFWWJZLASA-N 2 2 354.495 0.065 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922979 855879339 /nfs/dbraw/zinc/87/93/39/855879339.db2.gz RLDZVSSLOFWMEX-KFWWJZLASA-N 2 2 354.495 0.065 20 0 FCADLP COc1ccc(O[C@H](C)CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1 ZINC001219947875 855892556 /nfs/dbraw/zinc/89/25/56/855892556.db2.gz GKHZVHFGYZPJLC-DYVFJYSZSA-N 2 2 350.463 0.329 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccsc2)N2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC001219965600 855899334 /nfs/dbraw/zinc/89/93/34/855899334.db2.gz UHUVDCNDGCJDFK-APIJFGDWSA-N 2 2 366.487 0.232 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC001219965431 855899618 /nfs/dbraw/zinc/89/96/18/855899618.db2.gz NLKPSMGNYXKBSP-WOPDTQHZSA-N 2 2 356.220 0.469 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC001219965718 855900109 /nfs/dbraw/zinc/90/01/09/855900109.db2.gz YKDLROUTTRLGLJ-UPJWGTAASA-N 2 2 359.348 0.595 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccc(Cl)cc23)C[NH2+]1 ZINC001219967635 855901060 /nfs/dbraw/zinc/90/10/60/855901060.db2.gz DBVVNUCXRGUDQC-ZLDLUXBVSA-N 2 2 364.833 0.711 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220105670 855963588 /nfs/dbraw/zinc/96/35/88/855963588.db2.gz GVVQTZVKFLESEO-ZACQAIPSSA-N 2 2 350.463 0.376 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H](O)C2CCCCC2)C[C@@H]1O ZINC001220105670 855963591 /nfs/dbraw/zinc/96/35/91/855963591.db2.gz GVVQTZVKFLESEO-ZACQAIPSSA-N 2 2 350.463 0.376 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220185304 855997640 /nfs/dbraw/zinc/99/76/40/855997640.db2.gz FKWGNCBTTAKOAW-QWHCGFSZSA-N 2 2 353.417 0.495 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1O)CC2 ZINC001220224508 856018781 /nfs/dbraw/zinc/01/87/81/856018781.db2.gz QMZKKSYBVXKSFO-UAGQMJEPSA-N 2 2 350.463 0.340 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O)CC2 ZINC001220224508 856018784 /nfs/dbraw/zinc/01/87/84/856018784.db2.gz QMZKKSYBVXKSFO-UAGQMJEPSA-N 2 2 350.463 0.340 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001220289909 856047103 /nfs/dbraw/zinc/04/71/03/856047103.db2.gz HDDGVINVSUJKTH-FRRDWIJNSA-N 2 2 355.401 0.313 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O)[NH+](C)C ZINC001220289909 856047108 /nfs/dbraw/zinc/04/71/08/856047108.db2.gz HDDGVINVSUJKTH-FRRDWIJNSA-N 2 2 355.401 0.313 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518546 856163901 /nfs/dbraw/zinc/16/39/01/856163901.db2.gz HJWWRLWORTXQTA-XYPHTWIQSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518546 856163905 /nfs/dbraw/zinc/16/39/05/856163905.db2.gz HJWWRLWORTXQTA-XYPHTWIQSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518546 856163907 /nfs/dbraw/zinc/16/39/07/856163907.db2.gz HJWWRLWORTXQTA-XYPHTWIQSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220518546 856163912 /nfs/dbraw/zinc/16/39/12/856163912.db2.gz HJWWRLWORTXQTA-XYPHTWIQSA-N 2 2 350.463 0.566 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220565314 856187473 /nfs/dbraw/zinc/18/74/73/856187473.db2.gz PWSGLNSIUGOZEN-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220565314 856187479 /nfs/dbraw/zinc/18/74/79/856187479.db2.gz PWSGLNSIUGOZEN-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220565314 856187484 /nfs/dbraw/zinc/18/74/84/856187484.db2.gz PWSGLNSIUGOZEN-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H]1O ZINC001220565314 856187492 /nfs/dbraw/zinc/18/74/92/856187492.db2.gz PWSGLNSIUGOZEN-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220567979 856188679 /nfs/dbraw/zinc/18/86/79/856188679.db2.gz SAIPCEDQAXGTRZ-RKVPGOIHSA-N 2 2 353.463 0.797 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680984 856239286 /nfs/dbraw/zinc/23/92/86/856239286.db2.gz CRDMWTLFDUZODK-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680984 856239292 /nfs/dbraw/zinc/23/92/92/856239292.db2.gz CRDMWTLFDUZODK-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680984 856239300 /nfs/dbraw/zinc/23/93/00/856239300.db2.gz CRDMWTLFDUZODK-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220680984 856239310 /nfs/dbraw/zinc/23/93/10/856239310.db2.gz CRDMWTLFDUZODK-XHSDSOJGSA-N 2 2 356.511 0.040 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683239 856240353 /nfs/dbraw/zinc/24/03/53/856240353.db2.gz OBTIGBMZHLHDGY-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220683239 856240363 /nfs/dbraw/zinc/24/03/63/856240363.db2.gz OBTIGBMZHLHDGY-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220683239 856240372 /nfs/dbraw/zinc/24/03/72/856240372.db2.gz OBTIGBMZHLHDGY-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220683239 856240378 /nfs/dbraw/zinc/24/03/78/856240378.db2.gz OBTIGBMZHLHDGY-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220688309 856242315 /nfs/dbraw/zinc/24/23/15/856242315.db2.gz FLHNOBRWMJOSLI-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220688309 856242323 /nfs/dbraw/zinc/24/23/23/856242323.db2.gz FLHNOBRWMJOSLI-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220688309 856242332 /nfs/dbraw/zinc/24/23/32/856242332.db2.gz FLHNOBRWMJOSLI-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220688309 856242342 /nfs/dbraw/zinc/24/23/42/856242342.db2.gz FLHNOBRWMJOSLI-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220740350 856274497 /nfs/dbraw/zinc/27/44/97/856274497.db2.gz FXBZUENSNHBDGL-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1O ZINC001220740350 856274499 /nfs/dbraw/zinc/27/44/99/856274499.db2.gz FXBZUENSNHBDGL-CVEARBPZSA-N 2 2 356.511 0.138 20 0 FCADLP C[NH2+][C@H](C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC)[C@@H](C)OC(C)(C)C ZINC001220769953 856290775 /nfs/dbraw/zinc/29/07/75/856290775.db2.gz RTMXKKDPMGZLGK-BNOWGMLFSA-N 2 2 354.451 0.412 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001220801478 856307968 /nfs/dbraw/zinc/30/79/68/856307968.db2.gz GOZKWGLSDLADDT-OLZOCXBDSA-N 2 2 355.401 0.459 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001220801478 856307976 /nfs/dbraw/zinc/30/79/76/856307976.db2.gz GOZKWGLSDLADDT-OLZOCXBDSA-N 2 2 355.401 0.459 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802422 856308054 /nfs/dbraw/zinc/30/80/54/856308054.db2.gz WWPZANBNUGGZNT-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220802422 856308060 /nfs/dbraw/zinc/30/80/60/856308060.db2.gz WWPZANBNUGGZNT-XHSDSOJGSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821596 856323474 /nfs/dbraw/zinc/32/34/74/856323474.db2.gz BCVWVNYFOJTMNQ-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821596 856323481 /nfs/dbraw/zinc/32/34/81/856323481.db2.gz BCVWVNYFOJTMNQ-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821596 856323487 /nfs/dbraw/zinc/32/34/87/856323487.db2.gz BCVWVNYFOJTMNQ-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@@H]1O ZINC001220821596 856323491 /nfs/dbraw/zinc/32/34/91/856323491.db2.gz BCVWVNYFOJTMNQ-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220852675 856337637 /nfs/dbraw/zinc/33/76/37/856337637.db2.gz SAAAJXLJRXJJGC-OLZOCXBDSA-N 2 2 364.368 0.391 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220852675 856337643 /nfs/dbraw/zinc/33/76/43/856337643.db2.gz SAAAJXLJRXJJGC-OLZOCXBDSA-N 2 2 364.368 0.391 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989237 856410121 /nfs/dbraw/zinc/41/01/21/856410121.db2.gz QRYWNHKDIMTBJI-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989237 856410124 /nfs/dbraw/zinc/41/01/24/856410124.db2.gz QRYWNHKDIMTBJI-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)sn1 ZINC001221073521 856449621 /nfs/dbraw/zinc/44/96/21/856449621.db2.gz ZIUADLPZYWQUBR-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)sn1 ZINC001221073521 856449626 /nfs/dbraw/zinc/44/96/26/856449626.db2.gz ZIUADLPZYWQUBR-CVEARBPZSA-N 2 2 352.504 0.989 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130470 856474951 /nfs/dbraw/zinc/47/49/51/856474951.db2.gz TTXCQQYOGHGXJQ-QGZVFWFLSA-N 3 2 351.539 0.413 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001221154479 856486987 /nfs/dbraw/zinc/48/69/87/856486987.db2.gz NQTBVMDRAULPJJ-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)[C@@H](O)C2)o1 ZINC001221154479 856486992 /nfs/dbraw/zinc/48/69/92/856486992.db2.gz NQTBVMDRAULPJJ-SJORKVTESA-N 2 2 350.463 0.910 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CCC1 ZINC001221161257 856491164 /nfs/dbraw/zinc/49/11/64/856491164.db2.gz DBTWQWOWTCZVCR-IKGGRYGDSA-N 2 2 350.463 0.640 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1)C1CCC1 ZINC001221161257 856491160 /nfs/dbraw/zinc/49/11/60/856491160.db2.gz DBTWQWOWTCZVCR-IKGGRYGDSA-N 2 2 350.463 0.640 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221161359 856491828 /nfs/dbraw/zinc/49/18/28/856491828.db2.gz IDNHPRLJRJOLAB-BBWFWOEESA-N 2 2 350.463 0.641 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001221161359 856491833 /nfs/dbraw/zinc/49/18/33/856491833.db2.gz IDNHPRLJRJOLAB-BBWFWOEESA-N 2 2 350.463 0.641 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446518 856569363 /nfs/dbraw/zinc/56/93/63/856569363.db2.gz LQCJFCNXHWZTCY-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221446518 856569370 /nfs/dbraw/zinc/56/93/70/856569370.db2.gz LQCJFCNXHWZTCY-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221446518 856569373 /nfs/dbraw/zinc/56/93/73/856569373.db2.gz LQCJFCNXHWZTCY-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221446518 856569382 /nfs/dbraw/zinc/56/93/82/856569382.db2.gz LQCJFCNXHWZTCY-OWCLPIDISA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620541 856626857 /nfs/dbraw/zinc/62/68/57/856626857.db2.gz JZNBOCUKDDPIPJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620541 856626862 /nfs/dbraw/zinc/62/68/62/856626862.db2.gz JZNBOCUKDDPIPJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620541 856626868 /nfs/dbraw/zinc/62/68/68/856626868.db2.gz JZNBOCUKDDPIPJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620541 856626870 /nfs/dbraw/zinc/62/68/70/856626870.db2.gz JZNBOCUKDDPIPJ-NVXWUHKLSA-N 2 2 350.507 0.872 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647976 856637278 /nfs/dbraw/zinc/63/72/78/856637278.db2.gz IMOAGOHHWFOPJM-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647976 856637287 /nfs/dbraw/zinc/63/72/87/856637287.db2.gz IMOAGOHHWFOPJM-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647976 856637293 /nfs/dbraw/zinc/63/72/93/856637293.db2.gz IMOAGOHHWFOPJM-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647976 856637298 /nfs/dbraw/zinc/63/72/98/856637298.db2.gz IMOAGOHHWFOPJM-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647858 856637390 /nfs/dbraw/zinc/63/73/90/856637390.db2.gz BMCVFKWLXFVKBO-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647858 856637398 /nfs/dbraw/zinc/63/73/98/856637398.db2.gz BMCVFKWLXFVKBO-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647858 856637405 /nfs/dbraw/zinc/63/74/05/856637405.db2.gz BMCVFKWLXFVKBO-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647858 856637412 /nfs/dbraw/zinc/63/74/12/856637412.db2.gz BMCVFKWLXFVKBO-IXDOHACOSA-N 2 2 350.507 0.872 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813476 856695570 /nfs/dbraw/zinc/69/55/70/856695570.db2.gz KUFOOMLUYUKTOS-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813476 856695574 /nfs/dbraw/zinc/69/55/74/856695574.db2.gz KUFOOMLUYUKTOS-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813476 856695578 /nfs/dbraw/zinc/69/55/78/856695578.db2.gz KUFOOMLUYUKTOS-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813476 856695584 /nfs/dbraw/zinc/69/55/84/856695584.db2.gz KUFOOMLUYUKTOS-BRWVUGGUSA-N 2 2 350.507 0.870 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883077 856721748 /nfs/dbraw/zinc/72/17/48/856721748.db2.gz OUAOTSNDJZGPSQ-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883077 856721753 /nfs/dbraw/zinc/72/17/53/856721753.db2.gz OUAOTSNDJZGPSQ-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221883776 856722719 /nfs/dbraw/zinc/72/27/19/856722719.db2.gz UDZHVWISVNZOOL-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001221883776 856722722 /nfs/dbraw/zinc/72/27/22/856722722.db2.gz UDZHVWISVNZOOL-BRWVUGGUSA-N 2 2 371.547 0.686 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889749 856724496 /nfs/dbraw/zinc/72/44/96/856724496.db2.gz OOMKKTKBLXWCJB-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889749 856724499 /nfs/dbraw/zinc/72/44/99/856724499.db2.gz OOMKKTKBLXWCJB-IAGOWNOFSA-N 2 2 350.507 0.729 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946882 856743513 /nfs/dbraw/zinc/74/35/13/856743513.db2.gz HFFUJNKCIXOSJS-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946882 856743523 /nfs/dbraw/zinc/74/35/23/856743523.db2.gz HFFUJNKCIXOSJS-BZUAXINKSA-N 2 2 354.495 0.012 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973553 856755429 /nfs/dbraw/zinc/75/54/29/856755429.db2.gz CHPFMKYIYHQJHX-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973553 856755434 /nfs/dbraw/zinc/75/54/34/856755434.db2.gz CHPFMKYIYHQJHX-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973553 856755440 /nfs/dbraw/zinc/75/54/40/856755440.db2.gz CHPFMKYIYHQJHX-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]21 ZINC001221973553 856755443 /nfs/dbraw/zinc/75/54/43/856755443.db2.gz CHPFMKYIYHQJHX-ARFHVFGLSA-N 2 2 359.536 0.542 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016394 856768775 /nfs/dbraw/zinc/76/87/75/856768775.db2.gz HCTBHHGYPVVVHC-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016394 856768780 /nfs/dbraw/zinc/76/87/80/856768780.db2.gz HCTBHHGYPVVVHC-HZPDHXFCSA-N 2 2 350.507 0.920 20 0 FCADLP COCCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221479 856901540 /nfs/dbraw/zinc/90/15/40/856901540.db2.gz AXDGTMIHTRBWOZ-SJORKVTESA-N 2 2 350.463 0.859 20 0 FCADLP COCCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221479 856901548 /nfs/dbraw/zinc/90/15/48/856901548.db2.gz AXDGTMIHTRBWOZ-SJORKVTESA-N 2 2 350.463 0.859 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001227164453 857146625 /nfs/dbraw/zinc/14/66/25/857146625.db2.gz BXAOWENYHUQDSV-RBSFLKMASA-N 2 2 368.503 0.507 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC001227662648 857169177 /nfs/dbraw/zinc/16/91/77/857169177.db2.gz GFTJKOZPNIPVCH-ZIAGYGMSSA-N 2 2 356.492 0.414 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)no1 ZINC001229709511 857283336 /nfs/dbraw/zinc/28/33/36/857283336.db2.gz GNJLTWUCVKMPIO-ZIAGYGMSSA-N 2 2 353.467 0.727 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)NCC(F)(F)F ZINC001230348184 857328156 /nfs/dbraw/zinc/32/81/56/857328156.db2.gz VMDPQUFWCHKDPD-VXGBXAGGSA-N 2 2 361.368 0.579 20 0 FCADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)CS(C)(=O)=O ZINC001230352666 857329150 /nfs/dbraw/zinc/32/91/50/857329150.db2.gz JQYBJYDCMJSAIC-RRFJBIMHSA-N 2 2 356.492 0.581 20 0 FCADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC001235326345 857422627 /nfs/dbraw/zinc/42/26/27/857422627.db2.gz WNOMHCJHCOKOQO-JTDSTZFVSA-N 3 2 351.491 0.620 20 0 FCADLP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC001235326345 857422632 /nfs/dbraw/zinc/42/26/32/857422632.db2.gz WNOMHCJHCOKOQO-JTDSTZFVSA-N 3 2 351.491 0.620 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)O1 ZINC001235496148 857426321 /nfs/dbraw/zinc/42/63/21/857426321.db2.gz VWHWSSKAOCZOML-YHUYYLMFSA-N 2 2 353.463 0.602 20 0 FCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)O1 ZINC001235496148 857426327 /nfs/dbraw/zinc/42/63/27/857426327.db2.gz VWHWSSKAOCZOML-YHUYYLMFSA-N 2 2 353.463 0.602 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1c[nH]c2cc(Cl)ncc12 ZINC001236311931 857439989 /nfs/dbraw/zinc/43/99/89/857439989.db2.gz LKXNFJSCMKVZNW-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1c[nH]c2cc(Cl)ncc12 ZINC001236311931 857439994 /nfs/dbraw/zinc/43/99/94/857439994.db2.gz LKXNFJSCMKVZNW-UHFFFAOYSA-N 3 2 352.870 0.832 20 0 FCADLP CN(C)C(=O)CN1CCO[C@H]2C[N@H+](CC3(C[NH+](C)C)CCCC3)C[C@H]21 ZINC001279493258 862914900 /nfs/dbraw/zinc/91/49/00/862914900.db2.gz ZMEGEVLYACJBMT-SJORKVTESA-N 2 2 352.523 0.582 20 0 FCADLP CN(C)C(=O)CN1CCO[C@H]2C[N@@H+](CC3(C[NH+](C)C)CCCC3)C[C@H]21 ZINC001279493258 862914916 /nfs/dbraw/zinc/91/49/16/862914916.db2.gz ZMEGEVLYACJBMT-SJORKVTESA-N 2 2 352.523 0.582 20 0 FCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC001238840039 857483855 /nfs/dbraw/zinc/48/38/55/857483855.db2.gz ZFAVKXFMSOSIKV-UHFFFAOYSA-N 2 2 369.491 0.531 20 0 FCADLP [NH3+]CCS(=O)(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001239077429 857507323 /nfs/dbraw/zinc/50/73/23/857507323.db2.gz NVBVRZKKKSTYMO-CYBMUJFWSA-N 2 2 351.432 0.077 20 0 FCADLP Fc1cc(F)c(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)c(F)c1 ZINC001239438887 857528922 /nfs/dbraw/zinc/52/89/22/857528922.db2.gz KOIPDYCPBYBRIF-UHFFFAOYSA-N 2 2 361.437 0.885 20 0 FCADLP COc1ccc(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)c(OC)c1 ZINC001239438684 857529152 /nfs/dbraw/zinc/52/91/52/857529152.db2.gz IODAUQKVNGPBHE-UHFFFAOYSA-N 2 2 367.519 0.485 20 0 FCADLP c1csc(COCc2nn([C@@H]3CC[NH2+]C4(CNC4)C3)c3c2C[NH2+]C3)n1 ZINC001246704566 857591929 /nfs/dbraw/zinc/59/19/29/857591929.db2.gz KRWPLEBQBUBCCL-GFCCVEGCSA-N 2 2 360.487 0.926 20 0 FCADLP C[C@H]1CC[C@@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746381 857597121 /nfs/dbraw/zinc/59/71/21/857597121.db2.gz JYBZJUIQTASSFM-FAJBIJEISA-N 2 2 351.491 0.999 20 0 FCADLP C[C@H]1CC[C@@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746381 857597127 /nfs/dbraw/zinc/59/71/27/857597127.db2.gz JYBZJUIQTASSFM-FAJBIJEISA-N 2 2 351.491 0.999 20 0 FCADLP COCCN1CC2(CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)[C@@H](COC)C1=O ZINC001246749620 857597515 /nfs/dbraw/zinc/59/75/15/857597515.db2.gz QQDASRWWVUONPO-ZACQAIPSSA-N 2 2 353.507 0.960 20 0 FCADLP COC(=O)[C@H]([NH3+])C1CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC1 ZINC001246869337 857604690 /nfs/dbraw/zinc/60/46/90/857604690.db2.gz QTYCOPGVMIVICH-KVDYFSNESA-N 3 2 353.463 0.271 20 0 FCADLP COC(=O)[C@H](N)C1CC[NH+](C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)CC1 ZINC001246869337 857604696 /nfs/dbraw/zinc/60/46/96/857604696.db2.gz QTYCOPGVMIVICH-KVDYFSNESA-N 2 2 353.463 0.271 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517075 862932185 /nfs/dbraw/zinc/93/21/85/862932185.db2.gz HQSOYAMYDHZUQP-FUHWJXTLSA-N 2 2 350.463 0.859 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001279517075 862932192 /nfs/dbraw/zinc/93/21/92/862932192.db2.gz HQSOYAMYDHZUQP-FUHWJXTLSA-N 2 2 350.463 0.859 20 0 FCADLP C[NH+](C)CCNC(=S)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001249845071 857653233 /nfs/dbraw/zinc/65/32/33/857653233.db2.gz UCXMFRWQMQFJES-UHFFFAOYSA-N 2 2 373.567 0.955 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)COc1cccc(F)c1)NCCc1c[nH]c[nH+]1 ZINC001250830804 857665490 /nfs/dbraw/zinc/66/54/90/857665490.db2.gz IZSARAIYLDBTCS-HNNXBMFYSA-N 2 2 350.394 0.627 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)COc1cccc(F)c1)NCCc1c[nH+]c[nH]1 ZINC001250830804 857665491 /nfs/dbraw/zinc/66/54/91/857665491.db2.gz IZSARAIYLDBTCS-HNNXBMFYSA-N 2 2 350.394 0.627 20 0 FCADLP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H](O)C[NH+]1CCOCC1 ZINC001251022217 857684247 /nfs/dbraw/zinc/68/42/47/857684247.db2.gz XWCMMQPNXPDKKY-IBGZPJMESA-N 3 2 358.571 0.665 20 0 FCADLP C[NH+]1CCC(CO)([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001251362657 857719314 /nfs/dbraw/zinc/71/93/14/857719314.db2.gz NXYRQMYNAOMCFG-SFHVURJKSA-N 2 2 357.495 0.795 20 0 FCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574794 857731606 /nfs/dbraw/zinc/73/16/06/857731606.db2.gz GIEVDWLZMRACOM-RWMBFGLXSA-N 2 2 358.376 0.917 20 0 FCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574794 857731610 /nfs/dbraw/zinc/73/16/10/857731610.db2.gz GIEVDWLZMRACOM-RWMBFGLXSA-N 2 2 358.376 0.917 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574794 857731617 /nfs/dbraw/zinc/73/16/17/857731617.db2.gz GIEVDWLZMRACOM-RWMBFGLXSA-N 2 2 358.376 0.917 20 0 FCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)C[C@@H]2C1 ZINC001251574794 857731625 /nfs/dbraw/zinc/73/16/25/857731625.db2.gz GIEVDWLZMRACOM-RWMBFGLXSA-N 2 2 358.376 0.917 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001253185237 857870299 /nfs/dbraw/zinc/87/02/99/857870299.db2.gz PFLXJVQINPTWDB-QBPKDAKJSA-N 2 2 355.479 0.475 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001253185237 857870301 /nfs/dbraw/zinc/87/03/01/857870301.db2.gz PFLXJVQINPTWDB-QBPKDAKJSA-N 2 2 355.479 0.475 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185530 857870637 /nfs/dbraw/zinc/87/06/37/857870637.db2.gz GXPAXAHQIDSQEF-SJORKVTESA-N 2 2 361.552 0.969 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCCCN2S(C)(=O)=O)C1 ZINC001253185530 857870647 /nfs/dbraw/zinc/87/06/47/857870647.db2.gz GXPAXAHQIDSQEF-SJORKVTESA-N 2 2 361.552 0.969 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001253211874 857872713 /nfs/dbraw/zinc/87/27/13/857872713.db2.gz BPANBSZZKBBOFO-INIZCTEOSA-N 2 2 370.519 0.109 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001253390580 857884792 /nfs/dbraw/zinc/88/47/92/857884792.db2.gz PTYWANYSMSDNGE-XMTFNYHQSA-N 2 2 356.507 0.878 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001253390580 857884805 /nfs/dbraw/zinc/88/48/05/857884805.db2.gz PTYWANYSMSDNGE-XMTFNYHQSA-N 2 2 356.507 0.878 20 0 FCADLP C[NH+]1CCN(C2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C(=O)C3)C2)CC1 ZINC001254256894 857950558 /nfs/dbraw/zinc/95/05/58/857950558.db2.gz PBRBFEFBCNAMFA-AWEZNQCLSA-N 2 2 352.479 0.844 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516636 857976346 /nfs/dbraw/zinc/97/63/46/857976346.db2.gz BWCUPONICJBUDX-APWZRJJASA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+]([C@@H]3CCC[NH+](C)CC3)C2)C1=O ZINC001254516636 857976348 /nfs/dbraw/zinc/97/63/48/857976348.db2.gz BWCUPONICJBUDX-APWZRJJASA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254516636 857976350 /nfs/dbraw/zinc/97/63/50/857976350.db2.gz BWCUPONICJBUDX-APWZRJJASA-N 2 2 350.507 0.873 20 0 FCADLP CN(C)C(=O)CN1CC[C@]2(CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1=O ZINC001254516636 857976352 /nfs/dbraw/zinc/97/63/52/857976352.db2.gz BWCUPONICJBUDX-APWZRJJASA-N 2 2 350.507 0.873 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075675 858052164 /nfs/dbraw/zinc/05/21/64/858052164.db2.gz AFVLWMGOIHVQRM-HKUYNNGSSA-N 2 2 351.491 0.999 20 0 FCADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256075675 858052166 /nfs/dbraw/zinc/05/21/66/858052166.db2.gz AFVLWMGOIHVQRM-HKUYNNGSSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+]1CCC([NH2+]Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001256197485 858056019 /nfs/dbraw/zinc/05/60/19/858056019.db2.gz JDNYAKCTOGTSOV-UHFFFAOYSA-N 2 2 353.488 0.891 20 0 FCADLP C[NH+]1CCC([N@@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC1 ZINC001256203568 858056903 /nfs/dbraw/zinc/05/69/03/858056903.db2.gz JKQBLDIDNHXSJS-AOIWGVFYSA-N 2 2 351.491 0.951 20 0 FCADLP C[NH+]1CCC([N@H+]2C[C@H](OCC(=O)N3CCCC3)[C@H]3OCCC[C@H]32)CC1 ZINC001256203568 858056908 /nfs/dbraw/zinc/05/69/08/858056908.db2.gz JKQBLDIDNHXSJS-AOIWGVFYSA-N 2 2 351.491 0.951 20 0 FCADLP CS(=O)(=O)CCCN1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256699619 858096614 /nfs/dbraw/zinc/09/66/14/858096614.db2.gz ZZBCYGDIVONBOB-UHFFFAOYSA-N 2 2 373.563 0.682 20 0 FCADLP COC1CC[NH+](C2CC[NH+](C3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001257243421 858133981 /nfs/dbraw/zinc/13/39/81/858133981.db2.gz ROYCIHKOQYYAKV-UHFFFAOYSA-N 2 2 359.536 0.986 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257723893 858156945 /nfs/dbraw/zinc/15/69/45/858156945.db2.gz JGGYYHZSECHXHE-ARFHVFGLSA-N 3 2 357.495 0.720 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257723893 858156951 /nfs/dbraw/zinc/15/69/51/858156951.db2.gz JGGYYHZSECHXHE-ARFHVFGLSA-N 3 2 357.495 0.720 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001258372458 858194020 /nfs/dbraw/zinc/19/40/20/858194020.db2.gz BPQRMXHVTWKWAE-HOTGVXAUSA-N 2 2 354.495 0.156 20 0 FCADLP CN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258414254 858197472 /nfs/dbraw/zinc/19/74/72/858197472.db2.gz RPOXBSDLTGJUGF-AWEZNQCLSA-N 2 2 364.515 0.991 20 0 FCADLP CN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258414254 858197473 /nfs/dbraw/zinc/19/74/73/858197473.db2.gz RPOXBSDLTGJUGF-AWEZNQCLSA-N 2 2 364.515 0.991 20 0 FCADLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(F)n1 ZINC001279701531 863017693 /nfs/dbraw/zinc/01/76/93/863017693.db2.gz GEECSVNCIVCCNX-HOTGVXAUSA-N 2 2 351.470 0.733 20 0 FCADLP CN(C)c1ccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(F)n1 ZINC001279701531 863017705 /nfs/dbraw/zinc/01/77/05/863017705.db2.gz GEECSVNCIVCCNX-HOTGVXAUSA-N 2 2 351.470 0.733 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001261507346 858571768 /nfs/dbraw/zinc/57/17/68/858571768.db2.gz VNCCXJQEANBXTN-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[C@H]1CC[NH3+] ZINC001262565715 859001720 /nfs/dbraw/zinc/00/17/20/859001720.db2.gz UZJZOPYERBRHJY-BFYDXBDKSA-N 2 2 356.536 0.821 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC001262592256 859012953 /nfs/dbraw/zinc/01/29/53/859012953.db2.gz LSQNXFLVOSTUDG-INIZCTEOSA-N 2 2 354.882 0.966 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](c2nnc(N3CC[NH+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913917 859069586 /nfs/dbraw/zinc/06/95/86/859069586.db2.gz UGFMDLNHYGWTME-LSDHHAIUSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](c2nnc(N3CC[NH+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913917 859069589 /nfs/dbraw/zinc/06/95/89/859069589.db2.gz UGFMDLNHYGWTME-LSDHHAIUSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913917 859069596 /nfs/dbraw/zinc/06/95/96/859069596.db2.gz UGFMDLNHYGWTME-LSDHHAIUSA-N 2 2 350.467 0.118 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C)C1 ZINC001262913917 859069600 /nfs/dbraw/zinc/06/96/00/859069600.db2.gz UGFMDLNHYGWTME-LSDHHAIUSA-N 2 2 350.467 0.118 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001263997797 859274485 /nfs/dbraw/zinc/27/44/85/859274485.db2.gz FMDVTTPOAFVIFN-PMPSAXMXSA-N 2 2 352.479 0.577 20 0 FCADLP CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868384 860286652 /nfs/dbraw/zinc/28/66/52/860286652.db2.gz RJHXKYODHCTRGL-IBGZPJMESA-N 2 2 351.539 0.110 20 0 FCADLP CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001272868384 860286662 /nfs/dbraw/zinc/28/66/62/860286662.db2.gz RJHXKYODHCTRGL-IBGZPJMESA-N 2 2 351.539 0.110 20 0 FCADLP C[NH+]1CC2(CN(C(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)C2)C1 ZINC001273714137 860574052 /nfs/dbraw/zinc/57/40/52/860574052.db2.gz CCHICPVLNSKHNE-UHFFFAOYSA-N 2 2 352.479 0.750 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001275171947 860976832 /nfs/dbraw/zinc/97/68/32/860976832.db2.gz PKFZKOCAIWHZLI-OWCLPIDISA-N 2 2 363.531 0.873 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001275171947 860976837 /nfs/dbraw/zinc/97/68/37/860976837.db2.gz PKFZKOCAIWHZLI-OWCLPIDISA-N 2 2 363.531 0.873 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCN1C ZINC001275171947 860976848 /nfs/dbraw/zinc/97/68/48/860976848.db2.gz PKFZKOCAIWHZLI-OWCLPIDISA-N 2 2 363.531 0.873 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCN1C ZINC001275171947 860976858 /nfs/dbraw/zinc/97/68/58/860976858.db2.gz PKFZKOCAIWHZLI-OWCLPIDISA-N 2 2 363.531 0.873 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cncc(F)c1)C2 ZINC001275429911 861090239 /nfs/dbraw/zinc/09/02/39/861090239.db2.gz CUENXOVHYQIWBX-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cncc(F)c1)C2 ZINC001275429911 861090258 /nfs/dbraw/zinc/09/02/58/861090258.db2.gz CUENXOVHYQIWBX-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP CN1C[C@]2(CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)OCC1=O ZINC001275519487 861119081 /nfs/dbraw/zinc/11/90/81/861119081.db2.gz BHTBMYWRZNVWBV-KRWDZBQOSA-N 2 2 365.503 0.328 20 0 FCADLP CN1C[C@]2(CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)OCC1=O ZINC001275519487 861119087 /nfs/dbraw/zinc/11/90/87/861119087.db2.gz BHTBMYWRZNVWBV-KRWDZBQOSA-N 2 2 365.503 0.328 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556880 861127738 /nfs/dbraw/zinc/12/77/38/861127738.db2.gz PQTQOHXDGDTDOX-XOKHGSTOSA-N 2 2 358.433 0.167 20 0 FCADLP CC[C@H](C(N)=O)N1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556880 861127744 /nfs/dbraw/zinc/12/77/44/861127744.db2.gz PQTQOHXDGDTDOX-XOKHGSTOSA-N 2 2 358.433 0.167 20 0 FCADLP COC(=O)[C@@H](C)C[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001280025772 863196643 /nfs/dbraw/zinc/19/66/43/863196643.db2.gz HOEQBCUWMWDDGA-ZFWWWQNUSA-N 2 2 353.463 0.239 20 0 FCADLP COC(C)(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280055977 863227811 /nfs/dbraw/zinc/22/78/11/863227811.db2.gz CTZOQOOWTDZOBA-BBWFWOEESA-N 2 2 351.491 0.807 20 0 FCADLP COC(C)(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280055977 863227824 /nfs/dbraw/zinc/22/78/24/863227824.db2.gz CTZOQOOWTDZOBA-BBWFWOEESA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280080205 863252515 /nfs/dbraw/zinc/25/25/15/863252515.db2.gz CUXGJWYLCTWFBE-FGTMMUONSA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280080205 863252524 /nfs/dbraw/zinc/25/25/24/863252524.db2.gz CUXGJWYLCTWFBE-FGTMMUONSA-N 2 2 351.491 0.807 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CCC3(C[NH+](CC4(C)COC4)C3)O2)CC1 ZINC001280180521 863311879 /nfs/dbraw/zinc/31/18/79/863311879.db2.gz KYLMMMVXJSPNSS-INIZCTEOSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@H](CCNS(=O)(=O)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC001309271718 866770120 /nfs/dbraw/zinc/77/01/20/866770120.db2.gz UKIXGIIVUZXULR-MRXNPFEDSA-N 2 2 354.520 0.979 20 0 FCADLP C[C@H](CCNS(=O)(=O)N1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001309271718 866770129 /nfs/dbraw/zinc/77/01/29/866770129.db2.gz UKIXGIIVUZXULR-MRXNPFEDSA-N 2 2 354.520 0.979 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001351213625 866815098 /nfs/dbraw/zinc/81/50/98/866815098.db2.gz UFWJWNICCRAJCN-BHYGNILZSA-N 2 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001351213625 866815117 /nfs/dbraw/zinc/81/51/17/866815117.db2.gz UFWJWNICCRAJCN-BHYGNILZSA-N 2 2 353.511 0.173 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH+](C)CC1 ZINC001352229423 867068983 /nfs/dbraw/zinc/06/89/83/867068983.db2.gz BTHBAVNRUHPXQK-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCS(C)(=O)=O)CC2)CC1 ZINC001318506848 867683079 /nfs/dbraw/zinc/68/30/79/867683079.db2.gz GIBDZOPNVVBGTR-UHFFFAOYSA-N 2 2 360.524 0.279 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001318857490 867766094 /nfs/dbraw/zinc/76/60/94/867766094.db2.gz OJSDJKVMHDCUGN-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001318857490 867766104 /nfs/dbraw/zinc/76/61/04/867766104.db2.gz OJSDJKVMHDCUGN-WBVHZDCISA-N 2 2 354.495 0.650 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001319044817 867815416 /nfs/dbraw/zinc/81/54/16/867815416.db2.gz CWRKSAIJGOGBJQ-INIZCTEOSA-N 2 2 372.535 0.375 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001319044817 867815423 /nfs/dbraw/zinc/81/54/23/867815423.db2.gz CWRKSAIJGOGBJQ-INIZCTEOSA-N 2 2 372.535 0.375 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H](CF)C1 ZINC001356223035 867958984 /nfs/dbraw/zinc/95/89/84/867958984.db2.gz AZWBPVHDVMVMSD-HNNXBMFYSA-N 2 2 356.486 0.679 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H](CF)C1 ZINC001356223035 867959002 /nfs/dbraw/zinc/95/90/02/867959002.db2.gz AZWBPVHDVMVMSD-HNNXBMFYSA-N 2 2 356.486 0.679 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357250150 868093743 /nfs/dbraw/zinc/09/37/43/868093743.db2.gz QGUYEBZIEIFMFD-OAHLLOKOSA-N 2 2 360.524 0.279 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001357250150 868093756 /nfs/dbraw/zinc/09/37/56/868093756.db2.gz QGUYEBZIEIFMFD-OAHLLOKOSA-N 2 2 360.524 0.279 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001320490111 868184587 /nfs/dbraw/zinc/18/45/87/868184587.db2.gz KSYPATJFSZXNTK-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CN(C(=O)NCC(=O)N1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001320490111 868184598 /nfs/dbraw/zinc/18/45/98/868184598.db2.gz KSYPATJFSZXNTK-INIZCTEOSA-N 2 2 351.495 0.419 20 0 FCADLP CC(C)C1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001321964380 868682808 /nfs/dbraw/zinc/68/28/08/868682808.db2.gz SNANGNJCXCOHIZ-UHFFFAOYSA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCCNC(N)=O)CC2)CC1 ZINC001322181174 868755182 /nfs/dbraw/zinc/75/51/82/868755182.db2.gz IHTWXTHAEVDMGN-UHFFFAOYSA-N 2 2 353.511 0.890 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC001322576224 868866239 /nfs/dbraw/zinc/86/62/39/868866239.db2.gz RPDJZNXTKOGEOQ-GJZGRUSLSA-N 2 2 350.507 0.776 20 0 FCADLP CN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322723828 868921215 /nfs/dbraw/zinc/92/12/15/868921215.db2.gz ILBPJSBZPPXKQK-GFCCVEGCSA-N 2 2 364.412 0.682 20 0 FCADLP CN(CCC(F)(F)F)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322723828 868921229 /nfs/dbraw/zinc/92/12/29/868921229.db2.gz ILBPJSBZPPXKQK-GFCCVEGCSA-N 2 2 364.412 0.682 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725975 868921282 /nfs/dbraw/zinc/92/12/82/868921282.db2.gz ZGYDRYGOJGRXCD-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(C)CC3)C2)CC1 ZINC001322725975 868921290 /nfs/dbraw/zinc/92/12/90/868921290.db2.gz ZGYDRYGOJGRXCD-HNNXBMFYSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC(C)(C)C3)C2)CC1 ZINC001322780885 868943330 /nfs/dbraw/zinc/94/33/30/868943330.db2.gz NEGDSVKWFKHGCO-OAHLLOKOSA-N 2 2 350.507 0.824 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC(C)(C)C3)C2)CC1 ZINC001322780885 868943340 /nfs/dbraw/zinc/94/33/40/868943340.db2.gz NEGDSVKWFKHGCO-OAHLLOKOSA-N 2 2 350.507 0.824 20 0 FCADLP CN(C(=O)C(=O)NC1CC(F)(F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322917537 868989273 /nfs/dbraw/zinc/98/92/73/868989273.db2.gz WHOUWGYSDISGLR-AWEZNQCLSA-N 2 2 358.433 0.527 20 0 FCADLP CN(C(=O)C(=O)NC1CC(F)(F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322917537 868989281 /nfs/dbraw/zinc/98/92/81/868989281.db2.gz WHOUWGYSDISGLR-AWEZNQCLSA-N 2 2 358.433 0.527 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)n1C ZINC001323320803 869146255 /nfs/dbraw/zinc/14/62/55/869146255.db2.gz MVAUQMBGRVYEPL-UHFFFAOYSA-N 2 2 350.467 0.045 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1=CC[N@H+](C)CC1 ZINC001323612852 869277466 /nfs/dbraw/zinc/27/74/66/869277466.db2.gz QDODHTZDELBIEQ-AWEZNQCLSA-N 2 2 372.535 0.445 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC001323612852 869277480 /nfs/dbraw/zinc/27/74/80/869277480.db2.gz QDODHTZDELBIEQ-AWEZNQCLSA-N 2 2 372.535 0.445 20 0 FCADLP CN(CCC1CC1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001325997713 870132356 /nfs/dbraw/zinc/13/23/56/870132356.db2.gz BTAPFMGMHJFMPH-UHFFFAOYSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H]1SCC[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001326193704 870203845 /nfs/dbraw/zinc/20/38/45/870203845.db2.gz GHZHAVYGLNQJGE-UKRRQHHQSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@H]1SCC[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001326193704 870203859 /nfs/dbraw/zinc/20/38/59/870203859.db2.gz GHZHAVYGLNQJGE-UKRRQHHQSA-N 2 2 356.536 0.481 20 0 FCADLP [NH3+]C1(C[NH2+]CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001326584766 870395918 /nfs/dbraw/zinc/39/59/18/870395918.db2.gz ZCAGBWKLCUKQDH-ZDUSSCGKSA-N 2 2 371.528 0.735 20 0 FCADLP CN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326623162 870416527 /nfs/dbraw/zinc/41/65/27/870416527.db2.gz IVCZZWWEGSFPSM-OAHLLOKOSA-N 2 2 364.515 0.991 20 0 FCADLP CN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326623162 870416541 /nfs/dbraw/zinc/41/65/41/870416541.db2.gz IVCZZWWEGSFPSM-OAHLLOKOSA-N 2 2 364.515 0.991 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC(NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001326843059 870526066 /nfs/dbraw/zinc/52/60/66/870526066.db2.gz OYAYHHHQBKZTJO-GOSISDBHSA-N 2 2 352.523 0.772 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC001327206222 870716574 /nfs/dbraw/zinc/71/65/74/870716574.db2.gz MEOZUQLCZYMJTR-BBRMVZONSA-N 2 2 371.507 0.453 20 0 FCADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346160461 871677283 /nfs/dbraw/zinc/67/72/83/871677283.db2.gz SCSMUZIWJOXDCZ-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346160461 871677287 /nfs/dbraw/zinc/67/72/87/871677287.db2.gz SCSMUZIWJOXDCZ-HOTGVXAUSA-N 2 2 352.479 0.703 20 0 FCADLP Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)C[C@H]2CSCC[NH2+]2)cc[nH+]1 ZINC001346238523 871721846 /nfs/dbraw/zinc/72/18/46/871721846.db2.gz DDMHTZAXWYOJGX-MELADBBJSA-N 2 2 351.476 0.566 20 0 FCADLP CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001346308053 871765732 /nfs/dbraw/zinc/76/57/32/871765732.db2.gz SWBMQTLCWUQRKJ-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001346308053 871765742 /nfs/dbraw/zinc/76/57/42/871765742.db2.gz SWBMQTLCWUQRKJ-ZMSDIMECSA-N 2 2 350.507 0.918 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CCC([NH2+]C2CCC2)CC1 ZINC001346552606 871899397 /nfs/dbraw/zinc/89/93/97/871899397.db2.gz CYVFZDUJENITIT-UHFFFAOYSA-N 2 2 352.479 0.751 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CCC([NH2+]C2CCC2)CC1 ZINC001346552606 871899422 /nfs/dbraw/zinc/89/94/22/871899422.db2.gz CYVFZDUJENITIT-UHFFFAOYSA-N 2 2 352.479 0.751 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346763956 871988070 /nfs/dbraw/zinc/98/80/70/871988070.db2.gz XJVPPYFPQCHOTE-UHFFFAOYSA-N 2 2 354.495 0.953 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346763956 871988076 /nfs/dbraw/zinc/98/80/76/871988076.db2.gz XJVPPYFPQCHOTE-UHFFFAOYSA-N 2 2 354.495 0.953 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001346778998 871997922 /nfs/dbraw/zinc/99/79/22/871997922.db2.gz RPCNPZQTWDXTEW-GVDBMIGSSA-N 2 2 353.511 0.127 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001346778998 871997929 /nfs/dbraw/zinc/99/79/29/871997929.db2.gz RPCNPZQTWDXTEW-GVDBMIGSSA-N 2 2 353.511 0.127 20 0 FCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001348254877 872644946 /nfs/dbraw/zinc/64/49/46/872644946.db2.gz SAXWFNLYAKJDPU-CYBMUJFWSA-N 2 2 353.467 0.924 20 0 FCADLP CSC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001331241073 873028360 /nfs/dbraw/zinc/02/83/60/873028360.db2.gz YXPVDCOWVKHDNQ-AWEZNQCLSA-N 2 2 368.547 0.625 20 0 FCADLP CSC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001331241073 873028382 /nfs/dbraw/zinc/02/83/82/873028382.db2.gz YXPVDCOWVKHDNQ-AWEZNQCLSA-N 2 2 368.547 0.625 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001331934176 873307611 /nfs/dbraw/zinc/30/76/11/873307611.db2.gz WOBXPMJPPIWLME-OAHLLOKOSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001331934176 873307617 /nfs/dbraw/zinc/30/76/17/873307617.db2.gz WOBXPMJPPIWLME-OAHLLOKOSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001333242347 873870736 /nfs/dbraw/zinc/87/07/36/873870736.db2.gz UPHOPTGFDFAISW-MRXNPFEDSA-N 2 2 356.488 0.512 20 0 FCADLP C[NH+](C)C1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1 ZINC001333472740 873975206 /nfs/dbraw/zinc/97/52/06/873975206.db2.gz VQEZQXMAVWIXKE-UHFFFAOYSA-N 2 2 350.467 0.821 20 0 FCADLP c1ncn(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826526993 948464661 /nfs/dbraw/zinc/46/46/61/948464661.db2.gz VBEHBGXHJPKODE-UHFFFAOYSA-N 2 2 353.434 0.712 20 0 FCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574917198 948809838 /nfs/dbraw/zinc/80/98/38/948809838.db2.gz UBCYUNPNUOGIOD-GFCCVEGCSA-N 2 2 369.433 0.214 20 0 FCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574949663 949505868 /nfs/dbraw/zinc/50/58/68/949505868.db2.gz ZYJUYWJZHLUEKK-NSHDSACASA-N 2 2 358.381 0.497 20 0 FCADLP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574715649 949660200 /nfs/dbraw/zinc/66/02/00/949660200.db2.gz JYEXXKMFHOEVSY-OLZOCXBDSA-N 2 2 369.433 0.790 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574733072 950093953 /nfs/dbraw/zinc/09/39/53/950093953.db2.gz RKCWEUBMVYXWFB-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981787 950616343 /nfs/dbraw/zinc/61/63/43/950616343.db2.gz UZSNAWKEXKSZLG-DOMZBBRYSA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570981787 950616354 /nfs/dbraw/zinc/61/63/54/950616354.db2.gz UZSNAWKEXKSZLG-DOMZBBRYSA-N 2 2 356.434 0.441 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571012337 951260830 /nfs/dbraw/zinc/26/08/30/951260830.db2.gz ZXGHIUPEFYDHKG-QLPKVWCKSA-N 2 2 364.413 0.379 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571012337 951260846 /nfs/dbraw/zinc/26/08/46/951260846.db2.gz ZXGHIUPEFYDHKG-QLPKVWCKSA-N 2 2 364.413 0.379 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001571025761 951458466 /nfs/dbraw/zinc/45/84/66/951458466.db2.gz HTBGTWCKEMGNIG-WFASDCNBSA-N 2 2 366.429 0.912 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026223 951474807 /nfs/dbraw/zinc/47/48/07/951474807.db2.gz VZVSRYJPTFELCX-AWEZNQCLSA-N 2 2 366.429 0.831 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571026223 951474815 /nfs/dbraw/zinc/47/48/15/951474815.db2.gz VZVSRYJPTFELCX-AWEZNQCLSA-N 2 2 366.429 0.831 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571037246 951620895 /nfs/dbraw/zinc/62/08/95/951620895.db2.gz HROUZXQHTJBYHQ-UHFFFAOYSA-N 2 2 367.417 0.424 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571038692 951646870 /nfs/dbraw/zinc/64/68/70/951646870.db2.gz UZTCUTJABCVZMI-ZDUSSCGKSA-N 2 2 367.417 0.504 20 0 FCADLP Cc1cc(NC2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571039001 951651113 /nfs/dbraw/zinc/65/11/13/951651113.db2.gz WNUOPONFBPDWLJ-UHFFFAOYSA-N 2 2 367.417 0.290 20 0 FCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088748 951743058 /nfs/dbraw/zinc/74/30/58/951743058.db2.gz CBQASTDLJAIURA-NSHDSACASA-N 2 2 372.408 0.814 20 0 FCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575088964 951744120 /nfs/dbraw/zinc/74/41/20/951744120.db2.gz DLGFSVXNAMGGDX-AWEZNQCLSA-N 2 2 368.445 0.995 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001575092525 951795279 /nfs/dbraw/zinc/79/52/79/951795279.db2.gz CYIZNQQXNXVONS-CYBMUJFWSA-N 2 2 368.445 0.779 20 0 FCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571114711 952458851 /nfs/dbraw/zinc/45/88/51/952458851.db2.gz MNNNWPZDVPQVDN-QGZVFWFLSA-N 2 2 374.489 0.973 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000293423920 214172764 /nfs/dbraw/zinc/17/27/64/214172764.db2.gz OGBXOYCMRGXMBT-OAHLLOKOSA-N 2 2 371.441 0.762 20 0 FCADLP C[C@H](O)CNc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc[nH+]1 ZINC000294387828 214242161 /nfs/dbraw/zinc/24/21/61/214242161.db2.gz MNJFFKHUEWOGNR-HNNXBMFYSA-N 2 2 372.477 0.684 20 0 FCADLP C[C@H](O)CNc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]cn1 ZINC000294387828 214242165 /nfs/dbraw/zinc/24/21/65/214242165.db2.gz MNJFFKHUEWOGNR-HNNXBMFYSA-N 2 2 372.477 0.684 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577120 214306503 /nfs/dbraw/zinc/30/65/03/214306503.db2.gz VKWGSAURZIWNCU-OALUTQOASA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577120 214306506 /nfs/dbraw/zinc/30/65/06/214306506.db2.gz VKWGSAURZIWNCU-OALUTQOASA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000295577120 214306507 /nfs/dbraw/zinc/30/65/07/214306507.db2.gz VKWGSAURZIWNCU-OALUTQOASA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000295577120 214306510 /nfs/dbraw/zinc/30/65/10/214306510.db2.gz VKWGSAURZIWNCU-OALUTQOASA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577114 214305268 /nfs/dbraw/zinc/30/52/68/214305268.db2.gz VKWGSAURZIWNCU-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000295577114 214305272 /nfs/dbraw/zinc/30/52/72/214305272.db2.gz VKWGSAURZIWNCU-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000295577114 214305275 /nfs/dbraw/zinc/30/52/75/214305275.db2.gz VKWGSAURZIWNCU-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000295577114 214305278 /nfs/dbraw/zinc/30/52/78/214305278.db2.gz VKWGSAURZIWNCU-MOPGFXCFSA-N 2 2 361.486 0.850 20 0 FCADLP CC(C)[NH+]1CC(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297247441 214388223 /nfs/dbraw/zinc/38/82/23/214388223.db2.gz ZVIASTWKHFRDTC-UHFFFAOYSA-N 2 2 359.474 0.719 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)Cc3[nH+]ccn3C)CC2)c1 ZINC000297414324 214398241 /nfs/dbraw/zinc/39/82/41/214398241.db2.gz AWZGFCFNJKXTSU-UHFFFAOYSA-N 2 2 372.429 0.131 20 0 FCADLP C[NH+](C)C/C=C/C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000265693462 210197891 /nfs/dbraw/zinc/19/78/91/210197891.db2.gz ZGOGQKBWQIBWDO-ONEGZZNKSA-N 2 2 360.458 0.805 20 0 FCADLP C[C@H](C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000265681076 210195095 /nfs/dbraw/zinc/19/50/95/210195095.db2.gz FBTBFUIMOBEAID-LJQANCHMSA-N 2 2 373.545 0.903 20 0 FCADLP CNC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000412054283 529882045 /nfs/dbraw/zinc/88/20/45/529882045.db2.gz LGQNZXRRWJYTDB-UHFFFAOYSA-N 2 2 373.501 0.724 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000114075334 530062820 /nfs/dbraw/zinc/06/28/20/530062820.db2.gz VWXOISCSAOCDMU-KRWDZBQOSA-N 2 2 360.458 0.781 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000114075334 530062821 /nfs/dbraw/zinc/06/28/21/530062821.db2.gz VWXOISCSAOCDMU-KRWDZBQOSA-N 2 2 360.458 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528678 215009778 /nfs/dbraw/zinc/00/97/78/215009778.db2.gz ONEFSMAJYXLXOD-WCXIOVBPSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528678 215009782 /nfs/dbraw/zinc/00/97/82/215009782.db2.gz ONEFSMAJYXLXOD-WCXIOVBPSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528678 215009785 /nfs/dbraw/zinc/00/97/85/215009785.db2.gz ONEFSMAJYXLXOD-WCXIOVBPSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C[C@H](C)O1 ZINC000331528678 215009788 /nfs/dbraw/zinc/00/97/88/215009788.db2.gz ONEFSMAJYXLXOD-WCXIOVBPSA-N 2 2 366.506 0.249 20 0 FCADLP Cc1[nH]ccc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331640952 215027987 /nfs/dbraw/zinc/02/79/87/215027987.db2.gz PKPTUCHSGYFSNI-UHFFFAOYSA-N 2 2 361.490 0.634 20 0 FCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000265072195 210048259 /nfs/dbraw/zinc/04/82/59/210048259.db2.gz WXYPNDTUBXQDOM-CYBMUJFWSA-N 2 2 362.430 0.989 20 0 FCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000265072195 210048263 /nfs/dbraw/zinc/04/82/63/210048263.db2.gz WXYPNDTUBXQDOM-CYBMUJFWSA-N 2 2 362.430 0.989 20 0 FCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000265072197 210048946 /nfs/dbraw/zinc/04/89/46/210048946.db2.gz WXYPNDTUBXQDOM-ZDUSSCGKSA-N 2 2 362.430 0.989 20 0 FCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000265072197 210048948 /nfs/dbraw/zinc/04/89/48/210048948.db2.gz WXYPNDTUBXQDOM-ZDUSSCGKSA-N 2 2 362.430 0.989 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000265050914 210045078 /nfs/dbraw/zinc/04/50/78/210045078.db2.gz RQXLDZNVYMWMKW-MRXNPFEDSA-N 2 2 363.462 0.021 20 0 FCADLP O=[S@@](CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000332007744 215078913 /nfs/dbraw/zinc/07/89/13/215078913.db2.gz SHIHOQGYJGXVNN-DEOSSOPVSA-N 2 2 352.500 0.953 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000332235866 215114715 /nfs/dbraw/zinc/11/47/15/215114715.db2.gz GNRWWNRZJDQOLI-CVEARBPZSA-N 2 2 366.506 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000332235866 215114716 /nfs/dbraw/zinc/11/47/16/215114716.db2.gz GNRWWNRZJDQOLI-CVEARBPZSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@@H]1C ZINC000332401047 215145716 /nfs/dbraw/zinc/14/57/16/215145716.db2.gz YEIVNFSEYQWKAJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@@H]1C ZINC000332401047 215145720 /nfs/dbraw/zinc/14/57/20/215145720.db2.gz YEIVNFSEYQWKAJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@@H]1C ZINC000332401047 215145721 /nfs/dbraw/zinc/14/57/21/215145721.db2.gz YEIVNFSEYQWKAJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@@H]1C ZINC000332401047 215145725 /nfs/dbraw/zinc/14/57/25/215145725.db2.gz YEIVNFSEYQWKAJ-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000332438008 215151776 /nfs/dbraw/zinc/15/17/76/215151776.db2.gz HTLNUQHZBKDRQM-UHFFFAOYSA-N 2 2 363.487 0.993 20 0 FCADLP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000332525840 215169601 /nfs/dbraw/zinc/16/96/01/215169601.db2.gz NBPAMYYMIALKAT-HOTGVXAUSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000332528953 215168975 /nfs/dbraw/zinc/16/89/75/215168975.db2.gz OWSMSTHIWHRJOU-IRXDYDNUSA-N 2 2 358.486 0.848 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332539504 215173856 /nfs/dbraw/zinc/17/38/56/215173856.db2.gz ZSKTYQVRFOCUEA-IYBDPMFKSA-N 2 2 359.474 0.590 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332539504 215173860 /nfs/dbraw/zinc/17/38/60/215173860.db2.gz ZSKTYQVRFOCUEA-IYBDPMFKSA-N 2 2 359.474 0.590 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)nc(C(C)C)[nH+]1 ZINC000332559901 215179413 /nfs/dbraw/zinc/17/94/13/215179413.db2.gz UJIFIPKFRJOTMG-UHFFFAOYSA-N 2 2 374.489 0.507 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000332573177 215181291 /nfs/dbraw/zinc/18/12/91/215181291.db2.gz ZPWKSHJRVTWKAQ-HNNXBMFYSA-N 2 2 374.489 0.377 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C2 ZINC000332608200 215188949 /nfs/dbraw/zinc/18/89/49/215188949.db2.gz FFCATDWIJXOROX-ZIAGYGMSSA-N 2 2 361.490 0.872 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000332611217 215189346 /nfs/dbraw/zinc/18/93/46/215189346.db2.gz BWCYMGYPXCDZQY-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000332688784 215205117 /nfs/dbraw/zinc/20/51/17/215205117.db2.gz QKJCATXMFHFHRD-YLFCFFPRSA-N 2 2 366.506 0.284 20 0 FCADLP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000332810677 215212463 /nfs/dbraw/zinc/21/24/63/215212463.db2.gz JZLDPNWMOMRZHX-IKGGRYGDSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000332923974 215217393 /nfs/dbraw/zinc/21/73/93/215217393.db2.gz LXHFUSFNMZZFNM-DLBZAZTESA-N 2 2 354.495 0.461 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000333319932 215263350 /nfs/dbraw/zinc/26/33/50/215263350.db2.gz KYCURKDVAODULH-GOSISDBHSA-N 2 2 360.458 0.620 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000333319932 215263352 /nfs/dbraw/zinc/26/33/52/215263352.db2.gz KYCURKDVAODULH-GOSISDBHSA-N 2 2 360.458 0.620 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc[nH+]1 ZINC000333301070 215261978 /nfs/dbraw/zinc/26/19/78/215261978.db2.gz MKAIYNJCHONTSJ-CQSZACIVSA-N 2 2 355.446 0.650 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333439051 215281040 /nfs/dbraw/zinc/28/10/40/215281040.db2.gz VTQQZHGBJZEEOD-HOTGVXAUSA-N 2 2 372.473 0.266 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333439053 215281195 /nfs/dbraw/zinc/28/11/95/215281195.db2.gz VTQQZHGBJZEEOD-JKSUJKDBSA-N 2 2 372.473 0.266 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000333695408 215309655 /nfs/dbraw/zinc/30/96/55/215309655.db2.gz QDTKBMPTGGCCCL-ZACQAIPSSA-N 2 2 365.522 0.985 20 0 FCADLP CN(C(=O)[C@@]1(C)CCCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000333739363 215314928 /nfs/dbraw/zinc/31/49/28/215314928.db2.gz QWOFRQKXBQHPMP-LJQANCHMSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000333853204 215324747 /nfs/dbraw/zinc/32/47/47/215324747.db2.gz QJQSDCFPSPEYJX-ZBFHGGJFSA-N 2 2 351.495 0.452 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000333874039 215327604 /nfs/dbraw/zinc/32/76/04/215327604.db2.gz VBFUTILUEOMBNO-GXTWGEPZSA-N 2 2 358.450 0.193 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000333876017 215327731 /nfs/dbraw/zinc/32/77/31/215327731.db2.gz VHQYGOMEBGJCMS-IXDOHACOSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000334104739 215344230 /nfs/dbraw/zinc/34/42/30/215344230.db2.gz XPOALCFXHZYFBE-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000334104739 215344233 /nfs/dbraw/zinc/34/42/33/215344233.db2.gz XPOALCFXHZYFBE-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[N@H+]2CCCOCC2)C[C@H](C)O1 ZINC000334104739 215344241 /nfs/dbraw/zinc/34/42/41/215344241.db2.gz XPOALCFXHZYFBE-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+](C)CCC[NH+](C)Cc2ccco2)CC1 ZINC000285661119 213373497 /nfs/dbraw/zinc/37/34/97/213373497.db2.gz MUDOQXUTBPNUTL-UHFFFAOYSA-N 2 2 350.463 0.724 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC[NH+](C)Cc2ccco2)CC1 ZINC000285661119 213373499 /nfs/dbraw/zinc/37/34/99/213373499.db2.gz MUDOQXUTBPNUTL-UHFFFAOYSA-N 2 2 350.463 0.724 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+](C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000285661119 213373501 /nfs/dbraw/zinc/37/35/01/213373501.db2.gz MUDOQXUTBPNUTL-UHFFFAOYSA-N 2 2 350.463 0.724 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+](C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000285661119 213373503 /nfs/dbraw/zinc/37/35/03/213373503.db2.gz MUDOQXUTBPNUTL-UHFFFAOYSA-N 2 2 350.463 0.724 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3c(Br)cnc3C2)CC1 ZINC000285232524 213308493 /nfs/dbraw/zinc/30/84/93/213308493.db2.gz HGGBBCSCMICHNN-UHFFFAOYSA-N 2 2 356.268 0.625 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3c(Br)cnc3C2)CC1 ZINC000285232524 213308494 /nfs/dbraw/zinc/30/84/94/213308494.db2.gz HGGBBCSCMICHNN-UHFFFAOYSA-N 2 2 356.268 0.625 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363006502 215461333 /nfs/dbraw/zinc/46/13/33/215461333.db2.gz LDPVZHFBRYZSGJ-DOTOQJQBSA-N 2 2 372.535 0.214 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000285010342 213267286 /nfs/dbraw/zinc/26/72/86/213267286.db2.gz UEAPYGAMASFWQR-UHFFFAOYSA-N 2 2 364.515 0.645 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000284726760 213207329 /nfs/dbraw/zinc/20/73/29/213207329.db2.gz YSVRPHRQCWIVEV-UHFFFAOYSA-N 2 2 369.469 0.872 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000284726760 213207332 /nfs/dbraw/zinc/20/73/32/213207332.db2.gz YSVRPHRQCWIVEV-UHFFFAOYSA-N 2 2 369.469 0.872 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000284562377 213169917 /nfs/dbraw/zinc/16/99/17/213169917.db2.gz UHZKPNPCPGCHQW-SJORKVTESA-N 2 2 371.485 0.851 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000284562377 213169920 /nfs/dbraw/zinc/16/99/20/213169920.db2.gz UHZKPNPCPGCHQW-SJORKVTESA-N 2 2 371.485 0.851 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284528250 213161096 /nfs/dbraw/zinc/16/10/96/213161096.db2.gz RPGRQCPPMGPRBF-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284528250 213161100 /nfs/dbraw/zinc/16/11/00/213161100.db2.gz RPGRQCPPMGPRBF-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000284423127 213136896 /nfs/dbraw/zinc/13/68/96/213136896.db2.gz OHIPJSSPLKGWOZ-HNNXBMFYSA-N 2 2 366.462 0.179 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000284440228 213140240 /nfs/dbraw/zinc/14/02/40/213140240.db2.gz ZGQGCIDWCRHTGK-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000284440228 213140244 /nfs/dbraw/zinc/14/02/44/213140244.db2.gz ZGQGCIDWCRHTGK-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000284440226 213139737 /nfs/dbraw/zinc/13/97/37/213139737.db2.gz ZGQGCIDWCRHTGK-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000284440226 213139740 /nfs/dbraw/zinc/13/97/40/213139740.db2.gz ZGQGCIDWCRHTGK-INIZCTEOSA-N 2 2 359.474 0.578 20 0 FCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284187711 213094334 /nfs/dbraw/zinc/09/43/34/213094334.db2.gz ZPWKXOLWMXFLQM-HNNXBMFYSA-N 2 2 357.458 0.841 20 0 FCADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000284187711 213094337 /nfs/dbraw/zinc/09/43/37/213094337.db2.gz ZPWKXOLWMXFLQM-HNNXBMFYSA-N 2 2 357.458 0.841 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000284204744 213096481 /nfs/dbraw/zinc/09/64/81/213096481.db2.gz ZKNBVCWXQRSCKK-CHWSQXEVSA-N 2 2 351.451 0.040 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000284162240 213088968 /nfs/dbraw/zinc/08/89/68/213088968.db2.gz ZNXYKJIYPYBFNS-LSDHHAIUSA-N 2 2 359.430 0.934 20 0 FCADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000284141081 213083984 /nfs/dbraw/zinc/08/39/84/213083984.db2.gz XJTROSZMHUNYBF-UHFFFAOYSA-N 2 2 357.458 0.898 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284122586 213080179 /nfs/dbraw/zinc/08/01/79/213080179.db2.gz VONUKOLOBKPTDS-OAHLLOKOSA-N 2 2 357.458 0.793 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284122586 213080182 /nfs/dbraw/zinc/08/01/82/213080182.db2.gz VONUKOLOBKPTDS-OAHLLOKOSA-N 2 2 357.458 0.793 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccs1 ZINC000284095903 213074101 /nfs/dbraw/zinc/07/41/01/213074101.db2.gz VAQMGPDSDXXVJV-UHFFFAOYSA-N 2 2 366.531 0.891 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCc1cccs1 ZINC000284095903 213074103 /nfs/dbraw/zinc/07/41/03/213074103.db2.gz VAQMGPDSDXXVJV-UHFFFAOYSA-N 2 2 366.531 0.891 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000284079231 213070005 /nfs/dbraw/zinc/07/00/05/213070005.db2.gz VCFSONYUPJBZBQ-OAHLLOKOSA-N 2 2 373.457 0.645 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000284090989 213072571 /nfs/dbraw/zinc/07/25/71/213072571.db2.gz NYPRODVEAFXSBD-HZPDHXFCSA-N 2 2 365.478 0.377 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000284090989 213072572 /nfs/dbraw/zinc/07/25/72/213072572.db2.gz NYPRODVEAFXSBD-HZPDHXFCSA-N 2 2 365.478 0.377 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000284043470 213062418 /nfs/dbraw/zinc/06/24/18/213062418.db2.gz SIXILVSXQIIUKX-HLLBOEOZSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000284043470 213062421 /nfs/dbraw/zinc/06/24/21/213062421.db2.gz SIXILVSXQIIUKX-HLLBOEOZSA-N 2 2 359.474 0.863 20 0 FCADLP O=C(NCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000283974104 213047032 /nfs/dbraw/zinc/04/70/32/213047032.db2.gz NULUHOCVOGWTJV-UHFFFAOYSA-N 2 2 371.441 0.148 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000283957149 213042814 /nfs/dbraw/zinc/04/28/14/213042814.db2.gz FOUIHFMTVQUYRG-AWEZNQCLSA-N 2 2 355.398 0.963 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000283762880 213004711 /nfs/dbraw/zinc/00/47/11/213004711.db2.gz BRQGHTLDMUBYBT-QGZVFWFLSA-N 2 2 369.469 0.775 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000412042821 237144966 /nfs/dbraw/zinc/14/49/66/237144966.db2.gz NECSWAPTIOVFPP-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000412042821 237144979 /nfs/dbraw/zinc/14/49/79/237144979.db2.gz NECSWAPTIOVFPP-SJORKVTESA-N 2 2 353.507 0.840 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000412093879 237166275 /nfs/dbraw/zinc/16/62/75/237166275.db2.gz PKCGHUHHYIZSGN-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000412093879 237166286 /nfs/dbraw/zinc/16/62/86/237166286.db2.gz PKCGHUHHYIZSGN-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000412093879 237166290 /nfs/dbraw/zinc/16/62/90/237166290.db2.gz PKCGHUHHYIZSGN-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000412093879 237166297 /nfs/dbraw/zinc/16/62/97/237166297.db2.gz PKCGHUHHYIZSGN-WNKDZCFJSA-N 2 2 350.507 0.728 20 0 FCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1C ZINC000366838539 216041013 /nfs/dbraw/zinc/04/10/13/216041013.db2.gz GTTBXDKDAIEARL-TWMKSMIVSA-N 2 2 367.490 0.487 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000413555296 237359363 /nfs/dbraw/zinc/35/93/63/237359363.db2.gz YFWMTWBMMYRQJZ-MRXNPFEDSA-N 2 2 365.478 0.860 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000366857640 216043703 /nfs/dbraw/zinc/04/37/03/216043703.db2.gz XFDKBLFKWSBNKO-JTDSTZFVSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@]2(CCOC2)O1 ZINC000366857640 216043706 /nfs/dbraw/zinc/04/37/06/216043706.db2.gz XFDKBLFKWSBNKO-JTDSTZFVSA-N 2 2 366.506 0.744 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885894 216045922 /nfs/dbraw/zinc/04/59/22/216045922.db2.gz QBHZMZKHKSRZMW-JKSUJKDBSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885894 216045925 /nfs/dbraw/zinc/04/59/25/216045925.db2.gz QBHZMZKHKSRZMW-JKSUJKDBSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000367584804 216139913 /nfs/dbraw/zinc/13/99/13/216139913.db2.gz BUUJGSUOUUZHMV-BBWFWOEESA-N 2 2 354.495 0.338 20 0 FCADLP CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368037992 216195378 /nfs/dbraw/zinc/19/53/78/216195378.db2.gz BLZJXPTYMMAHSK-CQSZACIVSA-N 2 2 358.446 0.904 20 0 FCADLP CN(C(=O)c1cnc2[nH]c(=O)[nH]c2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368037992 216195381 /nfs/dbraw/zinc/19/53/81/216195381.db2.gz BLZJXPTYMMAHSK-CQSZACIVSA-N 2 2 358.446 0.904 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC000368092120 216201573 /nfs/dbraw/zinc/20/15/73/216201573.db2.gz JAJUAOCYCQDWIA-INIZCTEOSA-N 2 2 369.473 0.482 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180785 216211591 /nfs/dbraw/zinc/21/15/91/216211591.db2.gz POFNWUNAFMRILB-QLFBSQMISA-N 2 2 355.479 0.628 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC(=O)OC(C)(C)C ZINC000368180785 216211593 /nfs/dbraw/zinc/21/15/93/216211593.db2.gz POFNWUNAFMRILB-QLFBSQMISA-N 2 2 355.479 0.628 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246329860 209384261 /nfs/dbraw/zinc/38/42/61/209384261.db2.gz AYNQOXOGYFYEDM-BRSBDYLESA-N 2 2 368.522 0.990 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246213923 209381674 /nfs/dbraw/zinc/38/16/74/209381674.db2.gz ZOXLSNDFBXEAGM-GJZGRUSLSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246213923 209381677 /nfs/dbraw/zinc/38/16/77/209381677.db2.gz ZOXLSNDFBXEAGM-GJZGRUSLSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000246189183 209380854 /nfs/dbraw/zinc/38/08/54/209380854.db2.gz CZKQLMSLEDOSCA-IKGGRYGDSA-N 2 2 366.506 0.062 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246146163 209380108 /nfs/dbraw/zinc/38/01/08/209380108.db2.gz FDTCQUNASLBCHJ-MSOLQXFVSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246146163 209380111 /nfs/dbraw/zinc/38/01/11/209380111.db2.gz FDTCQUNASLBCHJ-MSOLQXFVSA-N 2 2 372.517 0.931 20 0 FCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237828212 209358441 /nfs/dbraw/zinc/35/84/41/209358441.db2.gz KUTZXYNTTCJQFU-SFHVURJKSA-N 2 2 364.465 0.833 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237421731 209352722 /nfs/dbraw/zinc/35/27/22/209352722.db2.gz OBBHJUFBXRMJTF-CABCVRRESA-N 2 2 354.520 0.237 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)([NH+]2CCOCC2)C1 ZINC000194990619 209332353 /nfs/dbraw/zinc/33/23/53/209332353.db2.gz YYTPTXUNDVFKNW-MUYFXNHWSA-N 2 2 368.522 0.992 20 0 FCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000236701336 209342370 /nfs/dbraw/zinc/34/23/70/209342370.db2.gz HHVBZMSVSFUZGV-CRAIPNDOSA-N 2 2 354.495 0.047 20 0 FCADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268547 209334490 /nfs/dbraw/zinc/33/44/90/209334490.db2.gz UNGQVCFNWCZIDI-AWEZNQCLSA-N 2 2 365.503 0.164 20 0 FCADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268547 209334492 /nfs/dbraw/zinc/33/44/92/209334492.db2.gz UNGQVCFNWCZIDI-AWEZNQCLSA-N 2 2 365.503 0.164 20 0 FCADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268547 209334495 /nfs/dbraw/zinc/33/44/95/209334495.db2.gz UNGQVCFNWCZIDI-AWEZNQCLSA-N 2 2 365.503 0.164 20 0 FCADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000195268547 209334497 /nfs/dbraw/zinc/33/44/97/209334497.db2.gz UNGQVCFNWCZIDI-AWEZNQCLSA-N 2 2 365.503 0.164 20 0 FCADLP COc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000195117913 209331051 /nfs/dbraw/zinc/33/10/51/209331051.db2.gz DVWJJWCQSSODEU-UHFFFAOYSA-N 2 2 356.492 0.737 20 0 FCADLP COc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000195117913 209331052 /nfs/dbraw/zinc/33/10/52/209331052.db2.gz DVWJJWCQSSODEU-UHFFFAOYSA-N 2 2 356.492 0.737 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000194954860 209329881 /nfs/dbraw/zinc/32/98/81/209329881.db2.gz XMSFNOGENADONR-VVLHAWIVSA-N 2 2 356.511 0.846 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC000194954860 209329885 /nfs/dbraw/zinc/32/98/85/209329885.db2.gz XMSFNOGENADONR-VVLHAWIVSA-N 2 2 356.511 0.846 20 0 FCADLP [NH3+]CCc1nc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cs1 ZINC000194831489 209329394 /nfs/dbraw/zinc/32/93/94/209329394.db2.gz GERLYOZVVVRGOU-HNNXBMFYSA-N 2 2 356.517 0.582 20 0 FCADLP O=C1[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCN1c1ccccc1 ZINC000368681653 216281067 /nfs/dbraw/zinc/28/10/67/216281067.db2.gz ZRBCUBUJSVUZGH-SFHVURJKSA-N 2 2 359.470 0.951 20 0 FCADLP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368680968 216281112 /nfs/dbraw/zinc/28/11/12/216281112.db2.gz RTSVMPQEGNWFHZ-UHFFFAOYSA-N 2 2 353.385 0.166 20 0 FCADLP COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000192114064 209295749 /nfs/dbraw/zinc/29/57/49/209295749.db2.gz OYXDDLJYBKXUOR-HUUCEWRRSA-N 2 2 362.474 0.553 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000368906239 216316757 /nfs/dbraw/zinc/31/67/57/216316757.db2.gz ZHSJSTZGMCOKQF-INIZCTEOSA-N 2 2 360.524 0.072 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000368906239 216316759 /nfs/dbraw/zinc/31/67/59/216316759.db2.gz ZHSJSTZGMCOKQF-INIZCTEOSA-N 2 2 360.524 0.072 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963090 216324070 /nfs/dbraw/zinc/32/40/70/216324070.db2.gz HPQXLNFULIAMGJ-BXWFABGCSA-N 2 2 371.485 0.706 20 0 FCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000368963090 216324072 /nfs/dbraw/zinc/32/40/72/216324072.db2.gz HPQXLNFULIAMGJ-BXWFABGCSA-N 2 2 371.485 0.706 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000191295540 209284031 /nfs/dbraw/zinc/28/40/31/209284031.db2.gz MPEOXIDDAKGHMT-GOEBONIOSA-N 2 2 354.495 0.853 20 0 FCADLP C[C@@H](O)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000190925266 209279857 /nfs/dbraw/zinc/27/98/57/209279857.db2.gz ZHODRYDSTRGLMB-JKSUJKDBSA-N 2 2 350.463 0.184 20 0 FCADLP C[C@@H](O)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000190925266 209279860 /nfs/dbraw/zinc/27/98/60/209279860.db2.gz ZHODRYDSTRGLMB-JKSUJKDBSA-N 2 2 350.463 0.184 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000190856361 209279868 /nfs/dbraw/zinc/27/98/68/209279868.db2.gz BGFCBJVDFLAIRV-ROUUACIJSA-N 2 2 363.502 0.703 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000190856361 209279870 /nfs/dbraw/zinc/27/98/70/209279870.db2.gz BGFCBJVDFLAIRV-ROUUACIJSA-N 2 2 363.502 0.703 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275135 216377557 /nfs/dbraw/zinc/37/75/57/216377557.db2.gz VVFSGGFTRXAUGH-YEWWUXTCSA-N 2 2 366.531 0.725 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2)CC1 ZINC000369275135 216377558 /nfs/dbraw/zinc/37/75/58/216377558.db2.gz VVFSGGFTRXAUGH-YEWWUXTCSA-N 2 2 366.531 0.725 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343384 216386624 /nfs/dbraw/zinc/38/66/24/216386624.db2.gz CRVVOOLTUBSYQP-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343384 216386625 /nfs/dbraw/zinc/38/66/25/216386625.db2.gz CRVVOOLTUBSYQP-RBUKOAKNSA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343383 216386865 /nfs/dbraw/zinc/38/68/65/216386865.db2.gz CRVVOOLTUBSYQP-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000369343383 216386868 /nfs/dbraw/zinc/38/68/68/216386868.db2.gz CRVVOOLTUBSYQP-OALUTQOASA-N 2 2 360.502 0.812 20 0 FCADLP Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375832 216391555 /nfs/dbraw/zinc/39/15/55/216391555.db2.gz ZDPNVJYMSXYNIB-LSDHHAIUSA-N 2 2 361.494 0.369 20 0 FCADLP Cc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369375832 216391559 /nfs/dbraw/zinc/39/15/59/216391559.db2.gz ZDPNVJYMSXYNIB-LSDHHAIUSA-N 2 2 361.494 0.369 20 0 FCADLP CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374327 216392029 /nfs/dbraw/zinc/39/20/29/216392029.db2.gz RLGHYNDQAPEDBT-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000369374327 216392031 /nfs/dbraw/zinc/39/20/31/216392031.db2.gz RLGHYNDQAPEDBT-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000190377476 209270520 /nfs/dbraw/zinc/27/05/20/209270520.db2.gz DSWFCIYXMPRWSX-KRWDZBQOSA-N 2 2 374.551 0.037 20 0 FCADLP COCCCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374551 216390473 /nfs/dbraw/zinc/39/04/73/216390473.db2.gz SNXFCWPTZZLYLB-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP COCCCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374551 216390476 /nfs/dbraw/zinc/39/04/76/216390476.db2.gz SNXFCWPTZZLYLB-MRXNPFEDSA-N 2 2 356.511 0.849 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188799421 209238349 /nfs/dbraw/zinc/23/83/49/209238349.db2.gz PEZUYNVBYUFBSO-WMLDXEAASA-N 2 2 350.438 0.951 20 0 FCADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@]1=O ZINC000277406239 212356531 /nfs/dbraw/zinc/35/65/31/212356531.db2.gz ZSWFSKQHYSBLGQ-CPJLOUKISA-N 2 2 364.515 0.963 20 0 FCADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[S@@]1=O ZINC000277406239 212356532 /nfs/dbraw/zinc/35/65/32/212356532.db2.gz ZSWFSKQHYSBLGQ-CPJLOUKISA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000188549826 209232012 /nfs/dbraw/zinc/23/20/12/209232012.db2.gz QXSUGCIPVYJBLP-OWCLPIDISA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCOCC1 ZINC000188549826 209232014 /nfs/dbraw/zinc/23/20/14/209232014.db2.gz QXSUGCIPVYJBLP-OWCLPIDISA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277258954 212343672 /nfs/dbraw/zinc/34/36/72/212343672.db2.gz QUTZSVJJIUHWMX-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277258954 212343674 /nfs/dbraw/zinc/34/36/74/212343674.db2.gz QUTZSVJJIUHWMX-IAGOWNOFSA-N 2 2 360.506 0.930 20 0 FCADLP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188325859 209227900 /nfs/dbraw/zinc/22/79/00/209227900.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 2 363.502 0.248 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188325859 209227903 /nfs/dbraw/zinc/22/79/03/209227903.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@H](O)CN1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188325859 209227906 /nfs/dbraw/zinc/22/79/06/209227906.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 2 363.502 0.248 20 0 FCADLP C[NH+](C[C@H](O)CN1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188325859 209227909 /nfs/dbraw/zinc/22/79/09/209227909.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188325859 209227912 /nfs/dbraw/zinc/22/79/12/209227912.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 2 363.502 0.248 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188325859 209227915 /nfs/dbraw/zinc/22/79/15/209227915.db2.gz YBWNTPALWGLLRF-VQTJNVASSA-N 2 2 363.502 0.248 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000187951420 209220908 /nfs/dbraw/zinc/22/09/08/209220908.db2.gz JMIMOEPBDSZEFY-ZNMIVQPWSA-N 2 2 353.488 0.957 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000186940529 209200557 /nfs/dbraw/zinc/20/05/57/209200557.db2.gz FMVDTKOJGXIREL-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000186940529 209200561 /nfs/dbraw/zinc/20/05/61/209200561.db2.gz FMVDTKOJGXIREL-QZTJIDSGSA-N 2 2 374.529 0.961 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439768 674114903 /nfs/dbraw/zinc/11/49/03/674114903.db2.gz ZQMMQDWMKLBDFC-CVEARBPZSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439768 674114906 /nfs/dbraw/zinc/11/49/06/674114906.db2.gz ZQMMQDWMKLBDFC-CVEARBPZSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439768 674114908 /nfs/dbraw/zinc/11/49/08/674114908.db2.gz ZQMMQDWMKLBDFC-CVEARBPZSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439768 674114910 /nfs/dbraw/zinc/11/49/10/674114910.db2.gz ZQMMQDWMKLBDFC-CVEARBPZSA-N 2 2 354.520 0.928 20 0 FCADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)n1C ZINC000373276476 217002341 /nfs/dbraw/zinc/00/23/41/217002341.db2.gz VDDZYXUFRRUQCF-MRXNPFEDSA-N 2 2 361.490 0.661 20 0 FCADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)n1C ZINC000373276476 217002342 /nfs/dbraw/zinc/00/23/42/217002342.db2.gz VDDZYXUFRRUQCF-MRXNPFEDSA-N 2 2 361.490 0.661 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000373280754 217003713 /nfs/dbraw/zinc/00/37/13/217003713.db2.gz YKHMJYCYWBVOKT-MRXNPFEDSA-N 2 2 369.473 0.738 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000373280754 217003714 /nfs/dbraw/zinc/00/37/14/217003714.db2.gz YKHMJYCYWBVOKT-MRXNPFEDSA-N 2 2 369.473 0.738 20 0 FCADLP C[C@H]1C[C@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]1 ZINC000414742663 245318900 /nfs/dbraw/zinc/31/89/00/245318900.db2.gz NSVXPKYKYNSGKZ-DLBZAZTESA-N 3 2 360.506 0.823 20 0 FCADLP C[C@H]([NH3+])CCNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415025772 245341931 /nfs/dbraw/zinc/34/19/31/245341931.db2.gz RPEWGCBAQQVUAS-ZDUSSCGKSA-N 2 2 369.491 0.482 20 0 FCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000415079736 245346978 /nfs/dbraw/zinc/34/69/78/245346978.db2.gz KMEYYWMQFRHNAF-INIZCTEOSA-N 2 2 360.458 0.668 20 0 FCADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CC[NH2+]CC1 ZINC000415281199 245376726 /nfs/dbraw/zinc/37/67/26/245376726.db2.gz NEMRQFBMDQJMQV-UHFFFAOYSA-N 2 2 351.410 0.972 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000415280371 245375359 /nfs/dbraw/zinc/37/53/59/245375359.db2.gz GGOMHDYXXASALL-HUUCEWRRSA-N 2 2 360.458 0.666 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442700 217019207 /nfs/dbraw/zinc/01/92/07/217019207.db2.gz VZLWIJIIRXTAKF-ZSZQSSIHSA-N 3 2 352.523 0.804 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442700 217019208 /nfs/dbraw/zinc/01/92/08/217019208.db2.gz VZLWIJIIRXTAKF-ZSZQSSIHSA-N 3 2 352.523 0.804 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000415331108 245390869 /nfs/dbraw/zinc/39/08/69/245390869.db2.gz ZXDOYXWHHAVHDN-SFHVURJKSA-N 2 2 373.501 0.583 20 0 FCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000185195972 209174212 /nfs/dbraw/zinc/17/42/12/209174212.db2.gz RBNFEWJUPZYOGA-HNNXBMFYSA-N 2 2 356.492 0.726 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000373709338 217047914 /nfs/dbraw/zinc/04/79/14/217047914.db2.gz UWBKCDFFVUTJFI-ZMSDIMECSA-N 2 2 366.506 0.996 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000373709338 217047916 /nfs/dbraw/zinc/04/79/16/217047916.db2.gz UWBKCDFFVUTJFI-ZMSDIMECSA-N 2 2 366.506 0.996 20 0 FCADLP COCCO[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617586 217149595 /nfs/dbraw/zinc/14/95/95/217149595.db2.gz HVFWNLSUQYIGGE-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP COCCO[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000374617586 217149599 /nfs/dbraw/zinc/14/95/99/217149599.db2.gz HVFWNLSUQYIGGE-WMZOPIPTSA-N 2 2 368.522 0.992 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC000374794810 217174816 /nfs/dbraw/zinc/17/48/16/217174816.db2.gz QBUMJGHTTXRJHA-UHFFFAOYSA-N 2 2 362.449 0.634 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC000374794810 217174820 /nfs/dbraw/zinc/17/48/20/217174820.db2.gz QBUMJGHTTXRJHA-UHFFFAOYSA-N 2 2 362.449 0.634 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000375181871 217227042 /nfs/dbraw/zinc/22/70/42/217227042.db2.gz QJJFSXGFNDVFCF-UHFFFAOYSA-N 2 2 374.489 0.669 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000182905118 209139452 /nfs/dbraw/zinc/13/94/52/209139452.db2.gz NBFXBUXQHQCWON-YOEHRIQHSA-N 2 2 367.515 0.907 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000182905118 209139456 /nfs/dbraw/zinc/13/94/56/209139456.db2.gz NBFXBUXQHQCWON-YOEHRIQHSA-N 2 2 367.515 0.907 20 0 FCADLP C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000182870737 209138291 /nfs/dbraw/zinc/13/82/91/209138291.db2.gz AIGXQWYQZHOTRY-IAGOWNOFSA-N 2 2 352.523 0.772 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000182298522 209129862 /nfs/dbraw/zinc/12/98/62/209129862.db2.gz UMWZAMIYZODTSO-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000182298522 209129865 /nfs/dbraw/zinc/12/98/65/209129865.db2.gz UMWZAMIYZODTSO-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP CN(c1ccccc1C[NH+]1CCN(C(=O)CO)CC1)C1CC[NH+](C)CC1 ZINC000375295438 217245406 /nfs/dbraw/zinc/24/54/06/217245406.db2.gz HYKXJHFXBBRXTA-UHFFFAOYSA-N 2 2 360.502 0.854 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@H+](C)C2CC2)([NH+]2CCOCC2)C1 ZINC000375515363 217278080 /nfs/dbraw/zinc/27/80/80/217278080.db2.gz RKPYUXMMRHFYOH-UHFFFAOYSA-N 2 2 354.495 0.650 20 0 FCADLP CCOC1CC(CNC(=O)NCC[N@@H+](C)C2CC2)([NH+]2CCOCC2)C1 ZINC000375515363 217278084 /nfs/dbraw/zinc/27/80/84/217278084.db2.gz RKPYUXMMRHFYOH-UHFFFAOYSA-N 2 2 354.495 0.650 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375718096 217303583 /nfs/dbraw/zinc/30/35/83/217303583.db2.gz RCASUHXWZIJROP-SFHVURJKSA-N 2 2 366.531 0.822 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000375718096 217303586 /nfs/dbraw/zinc/30/35/86/217303586.db2.gz RCASUHXWZIJROP-SFHVURJKSA-N 2 2 366.531 0.822 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892121 217332311 /nfs/dbraw/zinc/33/23/11/217332311.db2.gz TVUCWPMFWUEUSV-KRWDZBQOSA-N 2 2 367.538 0.071 20 0 FCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892121 217332314 /nfs/dbraw/zinc/33/23/14/217332314.db2.gz TVUCWPMFWUEUSV-KRWDZBQOSA-N 2 2 367.538 0.071 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nc[nH+]2)C1 ZINC000375906056 217333359 /nfs/dbraw/zinc/33/33/59/217333359.db2.gz OAJRHZIYQPRKEY-ZACQAIPSSA-N 2 2 361.490 0.721 20 0 FCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)nc[nH+]2)C1 ZINC000375906053 217333809 /nfs/dbraw/zinc/33/38/09/217333809.db2.gz OAJRHZIYQPRKEY-BRWVUGGUSA-N 2 2 361.490 0.721 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000375886796 217330244 /nfs/dbraw/zinc/33/02/44/217330244.db2.gz AVMRERFJASMZFZ-HNNXBMFYSA-N 2 2 353.511 0.711 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000375886796 217330248 /nfs/dbraw/zinc/33/02/48/217330248.db2.gz AVMRERFJASMZFZ-HNNXBMFYSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418403503 245782061 /nfs/dbraw/zinc/78/20/61/245782061.db2.gz IJZLEIWOHUNIAZ-FMKPAKJESA-N 2 2 351.495 0.498 20 0 FCADLP [NH3+][C@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000418424290 245784339 /nfs/dbraw/zinc/78/43/39/245784339.db2.gz GTFAJHNJRYYXOH-QGZVFWFLSA-N 2 2 359.474 0.636 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000376412782 217396113 /nfs/dbraw/zinc/39/61/13/217396113.db2.gz STBILZWKUABRLZ-BRWVUGGUSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000376412782 217396116 /nfs/dbraw/zinc/39/61/16/217396116.db2.gz STBILZWKUABRLZ-BRWVUGGUSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000376412782 217396119 /nfs/dbraw/zinc/39/61/19/217396119.db2.gz STBILZWKUABRLZ-BRWVUGGUSA-N 2 2 369.506 0.590 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000376412782 217396120 /nfs/dbraw/zinc/39/61/20/217396120.db2.gz STBILZWKUABRLZ-BRWVUGGUSA-N 2 2 369.506 0.590 20 0 FCADLP Cc1cccc(N2CCC(NC(=O)C(=O)NCC(F)(F)C[NH3+])CC2)[nH+]1 ZINC000419129125 246004796 /nfs/dbraw/zinc/00/47/96/246004796.db2.gz COZYNQHIXCOMHM-UHFFFAOYSA-N 2 2 355.389 0.185 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419129179 246005350 /nfs/dbraw/zinc/00/53/50/246005350.db2.gz XPMWHGFQFGOKIK-KRWDZBQOSA-N 2 2 369.469 0.801 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000419156274 246021215 /nfs/dbraw/zinc/02/12/15/246021215.db2.gz SVVNKAGUIIEKAS-HZPDHXFCSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000419303706 246091256 /nfs/dbraw/zinc/09/12/56/246091256.db2.gz IKHCTRWFIQAJNX-OAHLLOKOSA-N 2 2 359.474 0.899 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c[nH+]1 ZINC000419386878 246126313 /nfs/dbraw/zinc/12/63/13/246126313.db2.gz DWBJWJABMWLVCG-MRXNPFEDSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419412646 246147601 /nfs/dbraw/zinc/14/76/01/246147601.db2.gz CRVJOEJTNBITQJ-BRWVUGGUSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000419401186 246137831 /nfs/dbraw/zinc/13/78/31/246137831.db2.gz OMWPGFVKIDBUKA-MRXNPFEDSA-N 2 2 362.499 0.152 20 0 FCADLP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000419401186 246137836 /nfs/dbraw/zinc/13/78/36/246137836.db2.gz OMWPGFVKIDBUKA-MRXNPFEDSA-N 2 2 362.499 0.152 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000419721982 246270581 /nfs/dbraw/zinc/27/05/81/246270581.db2.gz CVKOTRBRTMPBAQ-CVEARBPZSA-N 2 2 359.474 0.800 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000419711005 246263487 /nfs/dbraw/zinc/26/34/87/246263487.db2.gz MPTODGYUYQAJHU-UHFFFAOYSA-N 2 2 352.866 0.669 20 0 FCADLP [NH3+]CCCCNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000419711005 246263490 /nfs/dbraw/zinc/26/34/90/246263490.db2.gz MPTODGYUYQAJHU-UHFFFAOYSA-N 2 2 352.866 0.669 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419844749 246318736 /nfs/dbraw/zinc/31/87/36/246318736.db2.gz OISMLCNRODLXNP-NVXWUHKLSA-N 2 2 374.485 0.769 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419854586 246324052 /nfs/dbraw/zinc/32/40/52/246324052.db2.gz BTSNGNVTASACEI-ZBFHGGJFSA-N 2 2 360.458 0.379 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419858626 246327889 /nfs/dbraw/zinc/32/78/89/246327889.db2.gz LXWYJKIUELXGBC-MRXNPFEDSA-N 2 2 374.485 0.455 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419912061 246365309 /nfs/dbraw/zinc/36/53/09/246365309.db2.gz KQLVALMVPFZVRM-KRWDZBQOSA-N 2 2 358.486 0.755 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419886445 246350539 /nfs/dbraw/zinc/35/05/39/246350539.db2.gz PIQMJXSAKFRCFI-INIZCTEOSA-N 2 2 360.458 0.208 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419943124 246380672 /nfs/dbraw/zinc/38/06/72/246380672.db2.gz GWCUNCNTBGGORQ-KBPBESRZSA-N 2 2 363.462 0.099 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972073 246395499 /nfs/dbraw/zinc/39/54/99/246395499.db2.gz XUAFRWSIRBMSLD-HOCLYGCPSA-N 2 2 354.495 0.189 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000420128738 246486313 /nfs/dbraw/zinc/48/63/13/246486313.db2.gz QBTDBYFHVANPGY-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000420128738 246486319 /nfs/dbraw/zinc/48/63/19/246486319.db2.gz QBTDBYFHVANPGY-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000420402304 246556250 /nfs/dbraw/zinc/55/62/50/246556250.db2.gz JZDXJYHKEQIIRS-JSGCOSHPSA-N 2 2 366.487 0.140 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@@H]1C[NH3+] ZINC000420402304 246556252 /nfs/dbraw/zinc/55/62/52/246556252.db2.gz JZDXJYHKEQIIRS-JSGCOSHPSA-N 2 2 366.487 0.140 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c(C)s1 ZINC000423000543 246944205 /nfs/dbraw/zinc/94/42/05/246944205.db2.gz VKDCXSMWISTYQO-SMDDNHRTSA-N 2 2 361.533 1.000 20 0 FCADLP [NH3+]C1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000423028701 246949376 /nfs/dbraw/zinc/94/93/76/246949376.db2.gz TXBJBOFNEAFKJG-UHFFFAOYSA-N 2 2 360.458 0.159 20 0 FCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423361987 247010571 /nfs/dbraw/zinc/01/05/71/247010571.db2.gz HJCFKGMQUOGXRU-HOTGVXAUSA-N 2 2 359.474 0.625 20 0 FCADLP [NH3+]CC1(CC(=O)N2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000423379652 247015342 /nfs/dbraw/zinc/01/53/42/247015342.db2.gz GNLKOSJEMLTDIN-UHFFFAOYSA-N 2 2 362.449 0.829 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000423383482 247017844 /nfs/dbraw/zinc/01/78/44/247017844.db2.gz JKZUPUIWVHVOPF-YQVWRLOYSA-N 2 2 361.486 0.959 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000423592091 247066459 /nfs/dbraw/zinc/06/64/59/247066459.db2.gz KIPIYUGQYIKCIP-DOTOQJQBSA-N 2 2 359.474 0.497 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000423599545 247068742 /nfs/dbraw/zinc/06/87/42/247068742.db2.gz YADHVPFTGBAAGC-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000423599545 247068746 /nfs/dbraw/zinc/06/87/46/247068746.db2.gz YADHVPFTGBAAGC-FUHWJXTLSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423491385 247037902 /nfs/dbraw/zinc/03/79/02/247037902.db2.gz JMBISMUKFYDHHE-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423490089 247038521 /nfs/dbraw/zinc/03/85/21/247038521.db2.gz HMINLUZTLUHNHW-RDJZCZTQSA-N 2 2 366.506 0.014 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423607726 247073085 /nfs/dbraw/zinc/07/30/85/247073085.db2.gz JWNXKEVKYVMRCQ-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000423607726 247073089 /nfs/dbraw/zinc/07/30/89/247073089.db2.gz JWNXKEVKYVMRCQ-AEFFLSMTSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C[NH2+]1 ZINC000423630411 247083084 /nfs/dbraw/zinc/08/30/84/247083084.db2.gz LGHCLTPQKXPSHY-KGLIPLIRSA-N 2 2 350.488 0.601 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)[C@@H](C)C[NH2+]1 ZINC000423636826 247085994 /nfs/dbraw/zinc/08/59/94/247085994.db2.gz SOKUBIHVKRPLIE-GJZGRUSLSA-N 2 2 364.515 0.644 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)[C@H](C)C[NH2+]1 ZINC000423636827 247086613 /nfs/dbraw/zinc/08/66/13/247086613.db2.gz SOKUBIHVKRPLIE-HUUCEWRRSA-N 2 2 364.515 0.644 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423639907 247087174 /nfs/dbraw/zinc/08/71/74/247087174.db2.gz GDDVDYBTSIPDKQ-MRXNPFEDSA-N 2 2 355.442 0.840 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657297 247096893 /nfs/dbraw/zinc/09/68/93/247096893.db2.gz VQWHGWYHYZZUQS-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000423657297 247096897 /nfs/dbraw/zinc/09/68/97/247096897.db2.gz VQWHGWYHYZZUQS-NUJGCVRESA-N 2 2 358.486 0.915 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423674506 247105047 /nfs/dbraw/zinc/10/50/47/247105047.db2.gz DAUAKXQKVYEUMG-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N(C)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423674506 247105052 /nfs/dbraw/zinc/10/50/52/247105052.db2.gz DAUAKXQKVYEUMG-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423897771 247149523 /nfs/dbraw/zinc/14/95/23/247149523.db2.gz LFQYVAXXGRJPLW-FUHWJXTLSA-N 2 2 358.486 0.917 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000423712250 247120439 /nfs/dbraw/zinc/12/04/39/247120439.db2.gz CVQKTNWMHXECFG-OAHLLOKOSA-N 2 2 362.474 0.535 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000423716372 247122023 /nfs/dbraw/zinc/12/20/23/247122023.db2.gz IOFAIPHLKWMMJN-INIZCTEOSA-N 2 2 359.474 0.639 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C1([NH3+])CCOCC1 ZINC000424189575 247175234 /nfs/dbraw/zinc/17/52/34/247175234.db2.gz MNTWRQHULMAYDN-GJZGRUSLSA-N 2 2 353.442 0.299 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)C1([NH3+])CCOCC1 ZINC000424189575 247175238 /nfs/dbraw/zinc/17/52/38/247175238.db2.gz MNTWRQHULMAYDN-GJZGRUSLSA-N 2 2 353.442 0.299 20 0 FCADLP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000424192869 247176017 /nfs/dbraw/zinc/17/60/17/247176017.db2.gz TWQQNOOCPYMLTK-KGLIPLIRSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@H]1C[NH2+]CCO1)CC2 ZINC000424192869 247176025 /nfs/dbraw/zinc/17/60/25/247176025.db2.gz TWQQNOOCPYMLTK-KGLIPLIRSA-N 2 2 350.488 0.944 20 0 FCADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424554263 247261924 /nfs/dbraw/zinc/26/19/24/247261924.db2.gz RYVFOXQKTGUJEZ-KGLIPLIRSA-N 2 2 360.449 0.728 20 0 FCADLP CN(C(=O)[C@@]1(C)C[C@@H]1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000424657384 247268313 /nfs/dbraw/zinc/26/83/13/247268313.db2.gz ZYMCNZUOXBIJEU-YJBOKZPZSA-N 2 2 354.470 0.431 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000425382132 247328431 /nfs/dbraw/zinc/32/84/31/247328431.db2.gz GMGSNQNAVBDPFS-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000425382132 247328435 /nfs/dbraw/zinc/32/84/35/247328435.db2.gz GMGSNQNAVBDPFS-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000425810097 247389040 /nfs/dbraw/zinc/38/90/40/247389040.db2.gz XOIUZASKFDPREP-UHFFFAOYSA-N 2 2 359.430 0.842 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000435618327 248003988 /nfs/dbraw/zinc/00/39/88/248003988.db2.gz QCINARJGOBBJDN-AWEZNQCLSA-N 2 2 368.503 0.963 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000435618327 248003990 /nfs/dbraw/zinc/00/39/90/248003990.db2.gz QCINARJGOBBJDN-AWEZNQCLSA-N 2 2 368.503 0.963 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CCCC1=O)[C@H]1CC12CC[NH2+]CC2 ZINC000435562802 248001199 /nfs/dbraw/zinc/00/11/99/248001199.db2.gz JJULBTKBUQNVLX-HNNXBMFYSA-N 2 2 359.474 0.996 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@H]1CCN(C)C(=O)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567611 248002495 /nfs/dbraw/zinc/00/24/95/248002495.db2.gz QYROSONPIXSXRM-GJZGRUSLSA-N 2 2 359.474 0.759 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000436052681 248029432 /nfs/dbraw/zinc/02/94/32/248029432.db2.gz CUVPAFWLAZGGNQ-NWDGAFQWSA-N 2 2 350.385 0.469 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000436052681 248029436 /nfs/dbraw/zinc/02/94/36/248029436.db2.gz CUVPAFWLAZGGNQ-NWDGAFQWSA-N 2 2 350.385 0.469 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000436055645 248031385 /nfs/dbraw/zinc/03/13/85/248031385.db2.gz RFSUZHXMWBRFOE-OAHLLOKOSA-N 2 2 353.488 0.780 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000436055645 248031387 /nfs/dbraw/zinc/03/13/87/248031387.db2.gz RFSUZHXMWBRFOE-OAHLLOKOSA-N 2 2 353.488 0.780 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000437932519 248071532 /nfs/dbraw/zinc/07/15/32/248071532.db2.gz IIKAQIHTHPOUGW-UHFFFAOYSA-N 2 2 350.467 0.433 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)C2CC[NH+](CCO)CC2)c1C ZINC000438106720 248075705 /nfs/dbraw/zinc/07/57/05/248075705.db2.gz AHTZTKYDVZFYQP-UHFFFAOYSA-N 2 2 352.479 0.952 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)C2CC[NH+](CCO)CC2)c1C ZINC000438106720 248075709 /nfs/dbraw/zinc/07/57/09/248075709.db2.gz AHTZTKYDVZFYQP-UHFFFAOYSA-N 2 2 352.479 0.952 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1C ZINC000440310361 248172560 /nfs/dbraw/zinc/17/25/60/248172560.db2.gz AYPLKTWMQXFCOS-UHFFFAOYSA-N 2 2 367.413 0.927 20 0 FCADLP COC[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281298 248119055 /nfs/dbraw/zinc/11/90/55/248119055.db2.gz GMYKPRYVZOTCHA-XSLAGTTESA-N 2 2 360.495 0.474 20 0 FCADLP COC[C@@H]1C[NH+](CCOCC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439281298 248119059 /nfs/dbraw/zinc/11/90/59/248119059.db2.gz GMYKPRYVZOTCHA-XSLAGTTESA-N 2 2 360.495 0.474 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771851 248296735 /nfs/dbraw/zinc/29/67/35/248296735.db2.gz UNNRKVGBGSDXJG-SJLPKXTDSA-N 3 2 372.513 0.935 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000442771851 248296740 /nfs/dbraw/zinc/29/67/40/248296740.db2.gz UNNRKVGBGSDXJG-SJLPKXTDSA-N 3 2 372.513 0.935 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789298 248296789 /nfs/dbraw/zinc/29/67/89/248296789.db2.gz JXSDTOSKYPCFRA-KGLIPLIRSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000442789298 248296791 /nfs/dbraw/zinc/29/67/91/248296791.db2.gz JXSDTOSKYPCFRA-KGLIPLIRSA-N 2 2 368.503 0.853 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000442778548 248296845 /nfs/dbraw/zinc/29/68/45/248296845.db2.gz GKPGWIBQERVXGU-WCQYABFASA-N 2 2 354.476 0.558 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000442778548 248296848 /nfs/dbraw/zinc/29/68/48/248296848.db2.gz GKPGWIBQERVXGU-WCQYABFASA-N 2 2 354.476 0.558 20 0 FCADLP CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1[nH]cc[nH+]1 ZINC000443124423 248308244 /nfs/dbraw/zinc/30/82/44/248308244.db2.gz BQBSXMNYWXCMTM-LSDHHAIUSA-N 2 2 363.462 0.690 20 0 FCADLP CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1[nH]cc[nH+]1 ZINC000443124418 248308550 /nfs/dbraw/zinc/30/85/50/248308550.db2.gz BQBSXMNYWXCMTM-CABCVRRESA-N 2 2 363.462 0.690 20 0 FCADLP Nc1cc[nH+]cc1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000444165274 248349384 /nfs/dbraw/zinc/34/93/84/248349384.db2.gz GGWXLRXGIRZCSJ-UHFFFAOYSA-N 2 2 359.474 0.948 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1CCO ZINC000453689977 249355580 /nfs/dbraw/zinc/35/55/80/249355580.db2.gz AGUDDYNWISICSR-KDOFPFPSSA-N 2 2 374.485 0.699 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1CCO ZINC000453689977 249355588 /nfs/dbraw/zinc/35/55/88/249355588.db2.gz AGUDDYNWISICSR-KDOFPFPSSA-N 2 2 374.485 0.699 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000271278194 211369182 /nfs/dbraw/zinc/36/91/82/211369182.db2.gz NKZBIVCSBFTPBO-HXUWFJFHSA-N 2 2 372.513 0.737 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCOCC1 ZINC000271278194 211369186 /nfs/dbraw/zinc/36/91/86/211369186.db2.gz NKZBIVCSBFTPBO-HXUWFJFHSA-N 2 2 372.513 0.737 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000271083431 211330027 /nfs/dbraw/zinc/33/00/27/211330027.db2.gz GQCJHRGSOPGTSZ-HKUYNNGSSA-N 2 2 361.486 0.972 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000271083431 211330031 /nfs/dbraw/zinc/33/00/31/211330031.db2.gz GQCJHRGSOPGTSZ-HKUYNNGSSA-N 2 2 361.486 0.972 20 0 FCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022325 209106948 /nfs/dbraw/zinc/10/69/48/209106948.db2.gz FYYADOVBQHYZNN-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](NC(N)=O)C3)CC2)cc1 ZINC000270588173 211229404 /nfs/dbraw/zinc/22/94/04/211229404.db2.gz DQQTUNUTDGLBPE-GOSISDBHSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](NC(N)=O)C3)CC2)cc1 ZINC000270588173 211229407 /nfs/dbraw/zinc/22/94/07/211229407.db2.gz DQQTUNUTDGLBPE-GOSISDBHSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](NC(N)=O)C3)CC2)cc1 ZINC000270588173 211229411 /nfs/dbraw/zinc/22/94/11/211229411.db2.gz DQQTUNUTDGLBPE-GOSISDBHSA-N 2 2 373.501 0.772 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](NC(N)=O)C3)CC2)cc1 ZINC000270588173 211229413 /nfs/dbraw/zinc/22/94/13/211229413.db2.gz DQQTUNUTDGLBPE-GOSISDBHSA-N 2 2 373.501 0.772 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000270527885 211218436 /nfs/dbraw/zinc/21/84/36/211218436.db2.gz UZAYZEOLHPWKMG-XRGAULLZSA-N 2 2 366.462 0.744 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000270527885 211218440 /nfs/dbraw/zinc/21/84/40/211218440.db2.gz UZAYZEOLHPWKMG-XRGAULLZSA-N 2 2 366.462 0.744 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470003455 250018928 /nfs/dbraw/zinc/01/89/28/250018928.db2.gz LFSDAGXLVMHUNP-KRWDZBQOSA-N 2 2 369.473 0.365 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1)N1CC[NH2+]CC1 ZINC000470003455 250018933 /nfs/dbraw/zinc/01/89/33/250018933.db2.gz LFSDAGXLVMHUNP-KRWDZBQOSA-N 2 2 369.473 0.365 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470823909 250068896 /nfs/dbraw/zinc/06/88/96/250068896.db2.gz CPYINFHNWFAEQR-GJZGRUSLSA-N 2 2 369.510 0.761 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470823909 250068899 /nfs/dbraw/zinc/06/88/99/250068899.db2.gz CPYINFHNWFAEQR-GJZGRUSLSA-N 2 2 369.510 0.761 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033427 250088140 /nfs/dbraw/zinc/08/81/40/250088140.db2.gz VCFNHYZQYPNKHP-HNNXBMFYSA-N 2 2 362.540 0.048 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033427 250088143 /nfs/dbraw/zinc/08/81/43/250088143.db2.gz VCFNHYZQYPNKHP-HNNXBMFYSA-N 2 2 362.540 0.048 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033427 250088148 /nfs/dbraw/zinc/08/81/48/250088148.db2.gz VCFNHYZQYPNKHP-HNNXBMFYSA-N 2 2 362.540 0.048 20 0 FCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000471033427 250088151 /nfs/dbraw/zinc/08/81/51/250088151.db2.gz VCFNHYZQYPNKHP-HNNXBMFYSA-N 2 2 362.540 0.048 20 0 FCADLP C[NH+](C)CCOCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000471645536 250111370 /nfs/dbraw/zinc/11/13/70/250111370.db2.gz YOCDUNZDBVXMPX-UHFFFAOYSA-N 2 2 351.451 0.296 20 0 FCADLP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000471659991 250113882 /nfs/dbraw/zinc/11/38/82/250113882.db2.gz UDXQEWHPQKOFJL-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000471659991 250113887 /nfs/dbraw/zinc/11/38/87/250113887.db2.gz UDXQEWHPQKOFJL-MRXNPFEDSA-N 3 2 355.527 0.375 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000473350771 250221268 /nfs/dbraw/zinc/22/12/68/250221268.db2.gz OCFDLDMBFXZVGC-UHFFFAOYSA-N 2 2 350.419 0.380 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000473690262 250246155 /nfs/dbraw/zinc/24/61/55/250246155.db2.gz CWDSFIMQJFEUGE-AWEZNQCLSA-N 2 2 364.446 0.988 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481316369 250329800 /nfs/dbraw/zinc/32/98/00/250329800.db2.gz XHGROIHQWLJJFH-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000481316369 250329806 /nfs/dbraw/zinc/32/98/06/250329806.db2.gz XHGROIHQWLJJFH-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000269686846 211044501 /nfs/dbraw/zinc/04/45/01/211044501.db2.gz NLHFQYKRUFIRPP-UHFFFAOYSA-N 2 2 361.486 0.804 20 0 FCADLP C[NH+](C)CCNC(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000066831048 208019520 /nfs/dbraw/zinc/01/95/20/208019520.db2.gz UCMOEGVJPSPQJK-INIZCTEOSA-N 2 2 350.438 0.742 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000069383004 208034453 /nfs/dbraw/zinc/03/44/53/208034453.db2.gz PWYSDFKJJDPPBH-HNNXBMFYSA-N 2 2 365.478 0.734 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)c1 ZINC000072949149 208041150 /nfs/dbraw/zinc/04/11/50/208041150.db2.gz ZCVQQXOBDADDTG-UHFFFAOYSA-N 2 2 360.502 0.249 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000072956796 208043076 /nfs/dbraw/zinc/04/30/76/208043076.db2.gz BMGVPKUWHMLODR-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000072956796 208043083 /nfs/dbraw/zinc/04/30/83/208043083.db2.gz BMGVPKUWHMLODR-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000072956796 208043091 /nfs/dbraw/zinc/04/30/91/208043091.db2.gz BMGVPKUWHMLODR-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000072956796 208043094 /nfs/dbraw/zinc/04/30/94/208043094.db2.gz BMGVPKUWHMLODR-LJQANCHMSA-N 2 2 360.502 0.771 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075836421 208061904 /nfs/dbraw/zinc/06/19/04/208061904.db2.gz GDIGEIQQOMAALT-HNNXBMFYSA-N 2 2 355.508 0.506 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075836421 208061906 /nfs/dbraw/zinc/06/19/06/208061906.db2.gz GDIGEIQQOMAALT-HNNXBMFYSA-N 2 2 355.508 0.506 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077344927 208071603 /nfs/dbraw/zinc/07/16/03/208071603.db2.gz OUSUDCAADOLZKU-JKSUJKDBSA-N 2 2 354.495 0.507 20 0 FCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000079471006 208089369 /nfs/dbraw/zinc/08/93/69/208089369.db2.gz JWNRQBSDJOANLO-MAUKXSAKSA-N 2 2 368.547 0.978 20 0 FCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000079471006 208089374 /nfs/dbraw/zinc/08/93/74/208089374.db2.gz JWNRQBSDJOANLO-MAUKXSAKSA-N 2 2 368.547 0.978 20 0 FCADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000079764486 208090013 /nfs/dbraw/zinc/09/00/13/208090013.db2.gz AFMCLCUYPSQQOE-GDBMZVCRSA-N 2 2 368.503 0.944 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000086991093 208112205 /nfs/dbraw/zinc/11/22/05/208112205.db2.gz YLGRIAXIMHCDQN-INIZCTEOSA-N 2 2 362.478 0.611 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000087133564 208115932 /nfs/dbraw/zinc/11/59/32/208115932.db2.gz AWAXRLVHMIAUOZ-OAHLLOKOSA-N 2 2 351.495 0.419 20 0 FCADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000093187951 208152360 /nfs/dbraw/zinc/15/23/60/208152360.db2.gz VXHBWEKKTSIEJG-HDICACEKSA-N 3 2 366.550 0.972 20 0 FCADLP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000093187951 208152363 /nfs/dbraw/zinc/15/23/63/208152363.db2.gz VXHBWEKKTSIEJG-HDICACEKSA-N 3 2 366.550 0.972 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000105177884 208195058 /nfs/dbraw/zinc/19/50/58/208195058.db2.gz CNZDQDIUIQBVEI-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H]([C@H](C)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000105301170 208197297 /nfs/dbraw/zinc/19/72/97/208197297.db2.gz NWPFXXFXYQRRCI-DLBZAZTESA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000105279331 208199548 /nfs/dbraw/zinc/19/95/48/208199548.db2.gz URORZYBZBCVXJE-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000105279331 208199554 /nfs/dbraw/zinc/19/95/54/208199554.db2.gz URORZYBZBCVXJE-WCXIOVBPSA-N 2 2 354.495 0.600 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000107370305 208244602 /nfs/dbraw/zinc/24/46/02/208244602.db2.gz YLANQCBGLQPBOY-BQFCYCMXSA-N 2 2 368.522 0.402 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)C(=O)OC ZINC000107370305 208244607 /nfs/dbraw/zinc/24/46/07/208244607.db2.gz YLANQCBGLQPBOY-BQFCYCMXSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000106922028 208237445 /nfs/dbraw/zinc/23/74/45/208237445.db2.gz UTFROAYSFFYOJA-GOSISDBHSA-N 2 2 373.545 0.800 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000106922028 208237451 /nfs/dbraw/zinc/23/74/51/208237451.db2.gz UTFROAYSFFYOJA-GOSISDBHSA-N 2 2 373.545 0.800 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000112204979 208291198 /nfs/dbraw/zinc/29/11/98/208291198.db2.gz MOVFIUGAGNRGMH-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000112215886 208294187 /nfs/dbraw/zinc/29/41/87/208294187.db2.gz GCDDGAGFIUZFLN-OKZBNKHCSA-N 2 2 368.522 0.849 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000114837344 208316869 /nfs/dbraw/zinc/31/68/69/208316869.db2.gz SUUXXVYSISWIIT-MRXNPFEDSA-N 2 2 353.511 0.663 20 0 FCADLP CC(C)N1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000114837344 208316875 /nfs/dbraw/zinc/31/68/75/208316875.db2.gz SUUXXVYSISWIIT-MRXNPFEDSA-N 2 2 353.511 0.663 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cnc3sccc3c2=O)CC1 ZINC000267208102 210497257 /nfs/dbraw/zinc/49/72/57/210497257.db2.gz FDZFYOQSEDKGAH-UHFFFAOYSA-N 2 2 363.487 0.600 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000118834581 208352475 /nfs/dbraw/zinc/35/24/75/208352475.db2.gz MLMRPMVZQNBQFV-YJBOKZPZSA-N 2 2 373.501 0.824 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2)CC1 ZINC000118834581 208352478 /nfs/dbraw/zinc/35/24/78/208352478.db2.gz MLMRPMVZQNBQFV-YJBOKZPZSA-N 2 2 373.501 0.824 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120192802 208377825 /nfs/dbraw/zinc/37/78/25/208377825.db2.gz HXYVDTHIDJWMOY-HKUYNNGSSA-N 2 2 364.490 0.499 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120192802 208377827 /nfs/dbraw/zinc/37/78/27/208377827.db2.gz HXYVDTHIDJWMOY-HKUYNNGSSA-N 2 2 364.490 0.499 20 0 FCADLP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000120948116 208393548 /nfs/dbraw/zinc/39/35/48/208393548.db2.gz XFMBELBAYPQTNW-IAGOWNOFSA-N 3 2 352.523 0.582 20 0 FCADLP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000121228279 208399985 /nfs/dbraw/zinc/39/99/85/208399985.db2.gz UXEKCGMGFCWOJR-ZBFHGGJFSA-N 2 2 353.488 0.890 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)NCC3CC3)CC2)CC1 ZINC000180990910 209104561 /nfs/dbraw/zinc/10/45/61/209104561.db2.gz HKHPOUHQMPCAIT-UHFFFAOYSA-N 2 2 351.495 0.370 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000266214027 210304959 /nfs/dbraw/zinc/30/49/59/210304959.db2.gz JRKLNPAUFBBWPI-UHFFFAOYSA-N 2 2 374.533 0.347 20 0 FCADLP CN1CC[NH+](CCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000266214027 210304966 /nfs/dbraw/zinc/30/49/66/210304966.db2.gz JRKLNPAUFBBWPI-UHFFFAOYSA-N 2 2 374.533 0.347 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127896 210288339 /nfs/dbraw/zinc/28/83/39/210288339.db2.gz CUILLZLIBZNRLT-UONOGXRCSA-N 2 2 362.478 0.241 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000266127896 210288341 /nfs/dbraw/zinc/28/83/41/210288341.db2.gz CUILLZLIBZNRLT-UONOGXRCSA-N 2 2 362.478 0.241 20 0 FCADLP C[C@@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000177120754 209016600 /nfs/dbraw/zinc/01/66/00/209016600.db2.gz CYKYGHLBFKPSEO-HNNXBMFYSA-N 2 2 374.485 0.943 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000177136797 209017439 /nfs/dbraw/zinc/01/74/39/209017439.db2.gz LIHOWKCOTSFVQL-PBHICJAKSA-N 2 2 354.520 0.583 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000177127535 209017447 /nfs/dbraw/zinc/01/74/47/209017447.db2.gz ZRKGHIUJUQJJRG-UHFFFAOYSA-N 2 2 372.469 0.815 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2C1 ZINC000177523544 209027440 /nfs/dbraw/zinc/02/74/40/209027440.db2.gz NLRSMTJGUYWZEQ-UHFFFAOYSA-N 2 2 360.458 0.486 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2C1 ZINC000177523544 209027441 /nfs/dbraw/zinc/02/74/41/209027441.db2.gz NLRSMTJGUYWZEQ-UHFFFAOYSA-N 2 2 360.458 0.486 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000178803783 209061039 /nfs/dbraw/zinc/06/10/39/209061039.db2.gz CZKQLMSLEDOSCA-BRWVUGGUSA-N 2 2 366.506 0.062 20 0 FCADLP COCC[NH2+]CC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000178891416 209063447 /nfs/dbraw/zinc/06/34/47/209063447.db2.gz FYRAFOSQXSQHDL-UHFFFAOYSA-N 2 2 350.463 0.487 20 0 FCADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1COCC[NH2+]1 ZINC000178892120 209063810 /nfs/dbraw/zinc/06/38/10/209063810.db2.gz JYIRXARTSVXWHH-INIZCTEOSA-N 2 2 352.866 0.567 20 0 FCADLP CC(C)NS(=O)(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178890869 209064714 /nfs/dbraw/zinc/06/47/14/209064714.db2.gz RJFZZMQLEXEAOH-UHFFFAOYSA-N 2 2 361.431 0.950 20 0 FCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932119714 674169181 /nfs/dbraw/zinc/16/91/81/674169181.db2.gz TUEIBKWNFQOHPZ-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000932119714 674169184 /nfs/dbraw/zinc/16/91/84/674169184.db2.gz TUEIBKWNFQOHPZ-BDXSIMOUSA-N 2 2 351.491 0.951 20 0 FCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000932147584 674169940 /nfs/dbraw/zinc/16/99/40/674169940.db2.gz FYUSOJIBFZNZFZ-BBWFWOEESA-N 2 2 355.479 0.093 20 0 FCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000932147584 674169943 /nfs/dbraw/zinc/16/99/43/674169943.db2.gz FYUSOJIBFZNZFZ-BBWFWOEESA-N 2 2 355.479 0.093 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000163343414 229201709 /nfs/dbraw/zinc/20/17/09/229201709.db2.gz VSZSFCKLVFMTPI-CQSZACIVSA-N 2 2 366.491 0.387 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000163343414 229201711 /nfs/dbraw/zinc/20/17/11/229201711.db2.gz VSZSFCKLVFMTPI-CQSZACIVSA-N 2 2 366.491 0.387 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000175813347 229215075 /nfs/dbraw/zinc/21/50/75/229215075.db2.gz MQSYUGCZJRQXGE-MRXNPFEDSA-N 2 2 353.467 0.306 20 0 FCADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C(N)=O)C1 ZINC000187451147 229240402 /nfs/dbraw/zinc/24/04/02/229240402.db2.gz MDKCPKMTHSCAFB-HOTGVXAUSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C(N)=O)C1 ZINC000187451147 229240405 /nfs/dbraw/zinc/24/04/05/229240405.db2.gz MDKCPKMTHSCAFB-HOTGVXAUSA-N 2 2 359.474 0.706 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000238125164 229276609 /nfs/dbraw/zinc/27/66/09/229276609.db2.gz QHDAELJXEKHWOV-RDJZCZTQSA-N 2 2 369.469 0.984 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410498036 230104455 /nfs/dbraw/zinc/10/44/55/230104455.db2.gz MGIRVTUHDSTBBY-DOTOQJQBSA-N 2 2 358.442 0.756 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410498036 230104459 /nfs/dbraw/zinc/10/44/59/230104459.db2.gz MGIRVTUHDSTBBY-DOTOQJQBSA-N 2 2 358.442 0.756 20 0 FCADLP Cn1cc[nH+]c1CC1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000410523165 230118827 /nfs/dbraw/zinc/11/88/27/230118827.db2.gz HXBVHYPAHVRKGU-UHFFFAOYSA-N 2 2 373.501 0.898 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000410629720 230162608 /nfs/dbraw/zinc/16/26/08/230162608.db2.gz CMINQWGZASSCSK-IYBDPMFKSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000410629720 230162611 /nfs/dbraw/zinc/16/26/11/230162611.db2.gz CMINQWGZASSCSK-IYBDPMFKSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@@H]1N(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOC1(C)C ZINC000410666274 230178264 /nfs/dbraw/zinc/17/82/64/230178264.db2.gz YXTHONDNWBVSTN-HNNXBMFYSA-N 2 2 368.522 0.497 20 0 FCADLP C[C@@H]1N(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOC1(C)C ZINC000410666274 230178270 /nfs/dbraw/zinc/17/82/70/230178270.db2.gz YXTHONDNWBVSTN-HNNXBMFYSA-N 2 2 368.522 0.497 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000363649471 488868845 /nfs/dbraw/zinc/86/88/45/488868845.db2.gz ZRFMUBYAXMOZSI-QAPCUYQASA-N 2 2 368.547 0.925 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000363649471 488868848 /nfs/dbraw/zinc/86/88/48/488868848.db2.gz ZRFMUBYAXMOZSI-QAPCUYQASA-N 2 2 368.547 0.925 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000363650238 488869050 /nfs/dbraw/zinc/86/90/50/488869050.db2.gz DADWOVDSFNQTKC-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000363650238 488869053 /nfs/dbraw/zinc/86/90/53/488869053.db2.gz DADWOVDSFNQTKC-QGZVFWFLSA-N 2 2 367.538 0.025 20 0 FCADLP Nc1nc(-n2cccn2)cc(NCCCCN2CC[NH+](CCO)CC2)[nH+]1 ZINC000536767632 484547986 /nfs/dbraw/zinc/54/79/86/484547986.db2.gz ULOKWUSSKURLTA-UHFFFAOYSA-N 2 2 360.466 0.047 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)c2)CC1 ZINC000363707904 488876782 /nfs/dbraw/zinc/87/67/82/488876782.db2.gz BFHBEGUDOCNKKV-HXUWFJFHSA-N 2 2 372.513 0.981 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000363742854 488880759 /nfs/dbraw/zinc/88/07/59/488880759.db2.gz ABPJPZLNYKRZKU-GOSISDBHSA-N 2 2 361.486 0.975 20 0 FCADLP COc1ccccc1N1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000562796827 491189551 /nfs/dbraw/zinc/18/95/51/491189551.db2.gz IYPQLKQJFJWWTF-CVEARBPZSA-N 2 2 361.490 0.806 20 0 FCADLP COc1ccccc1N1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000562796827 491189554 /nfs/dbraw/zinc/18/95/54/491189554.db2.gz IYPQLKQJFJWWTF-CVEARBPZSA-N 2 2 361.490 0.806 20 0 FCADLP C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)C1 ZINC000302222955 488888923 /nfs/dbraw/zinc/88/89/23/488888923.db2.gz NFSJNSKIZNRWNN-GJZGRUSLSA-N 2 2 359.474 0.997 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 ZINC000287748741 488901156 /nfs/dbraw/zinc/90/11/56/488901156.db2.gz UVVDUADHYJKWLG-PGMHBOJBSA-N 2 2 359.478 0.832 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 ZINC000287748741 488901159 /nfs/dbraw/zinc/90/11/59/488901159.db2.gz UVVDUADHYJKWLG-PGMHBOJBSA-N 2 2 359.478 0.832 20 0 FCADLP COC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000278997053 488910201 /nfs/dbraw/zinc/91/02/01/488910201.db2.gz CFHCJTLAZLNEOV-IRXDYDNUSA-N 2 2 362.474 0.904 20 0 FCADLP C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCN(C)CC1 ZINC000363998486 488910824 /nfs/dbraw/zinc/91/08/24/488910824.db2.gz WHPVUCPAMDVYMF-INIZCTEOSA-N 2 2 362.522 0.945 20 0 FCADLP C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)CN1CC[NH+](C)CC1 ZINC000363998486 488910826 /nfs/dbraw/zinc/91/08/26/488910826.db2.gz WHPVUCPAMDVYMF-INIZCTEOSA-N 2 2 362.522 0.945 20 0 FCADLP Cc1nn(C)c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1Br ZINC000279030151 488911920 /nfs/dbraw/zinc/91/19/20/488911920.db2.gz BHMKOKLWHQWXRR-LLVKDONJSA-N 2 2 358.284 0.920 20 0 FCADLP Cc1nn(C)c(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1Br ZINC000279030151 488911921 /nfs/dbraw/zinc/91/19/21/488911921.db2.gz BHMKOKLWHQWXRR-LLVKDONJSA-N 2 2 358.284 0.920 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287804703 488908281 /nfs/dbraw/zinc/90/82/81/488908281.db2.gz JLZNGDCVHRPUKD-ZDUSSCGKSA-N 2 2 350.467 0.093 20 0 FCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000287804703 488908283 /nfs/dbraw/zinc/90/82/83/488908283.db2.gz JLZNGDCVHRPUKD-ZDUSSCGKSA-N 2 2 350.467 0.093 20 0 FCADLP O=S(=O)(CCC[NH+]1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000364048082 488917700 /nfs/dbraw/zinc/91/77/00/488917700.db2.gz NOGAWZXVCGJLTN-SJLPKXTDSA-N 2 2 371.547 0.987 20 0 FCADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000327466164 488919550 /nfs/dbraw/zinc/91/95/50/488919550.db2.gz XWLPYUUBOKXCIA-LLVKDONJSA-N 2 2 368.459 0.260 20 0 FCADLP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000327466164 488919551 /nfs/dbraw/zinc/91/95/51/488919551.db2.gz XWLPYUUBOKXCIA-LLVKDONJSA-N 2 2 368.459 0.260 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1(O)CCOCC1 ZINC000328597692 488922483 /nfs/dbraw/zinc/92/24/83/488922483.db2.gz AKRHOBVAXKYEJQ-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1(O)CCOCC1 ZINC000328597692 488922487 /nfs/dbraw/zinc/92/24/87/488922487.db2.gz AKRHOBVAXKYEJQ-UHFFFAOYSA-N 2 2 367.515 0.866 20 0 FCADLP CCOC(=O)N1CC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000364188269 488932812 /nfs/dbraw/zinc/93/28/12/488932812.db2.gz FPZFQNVHCAKVHL-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000364188269 488932815 /nfs/dbraw/zinc/93/28/15/488932815.db2.gz FPZFQNVHCAKVHL-KRWDZBQOSA-N 2 2 354.495 0.603 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208106 488935570 /nfs/dbraw/zinc/93/55/70/488935570.db2.gz QUVGEJIMWOSCAD-QAPCUYQASA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)N1CCCC1=O ZINC000364208106 488935572 /nfs/dbraw/zinc/93/55/72/488935572.db2.gz QUVGEJIMWOSCAD-QAPCUYQASA-N 2 2 350.507 0.918 20 0 FCADLP COC1(CC[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000328764794 488936468 /nfs/dbraw/zinc/93/64/68/488936468.db2.gz OXLVYSQMXKATRD-UHFFFAOYSA-N 2 2 360.524 0.055 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283031 488943499 /nfs/dbraw/zinc/94/34/99/488943499.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP COCC[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283031 488943503 /nfs/dbraw/zinc/94/35/03/488943503.db2.gz YPADBAKFAOTBTI-WMZOPIPTSA-N 3 2 367.538 0.517 20 0 FCADLP CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000328935686 488952666 /nfs/dbraw/zinc/95/26/66/488952666.db2.gz JHLWZWQGMKVLER-CABCVRRESA-N 2 2 362.478 0.608 20 0 FCADLP CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000328935686 488952670 /nfs/dbraw/zinc/95/26/70/488952670.db2.gz JHLWZWQGMKVLER-CABCVRRESA-N 2 2 362.478 0.608 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000364408447 488956658 /nfs/dbraw/zinc/95/66/58/488956658.db2.gz DVVHZVNTRNPRIM-CABCVRRESA-N 2 2 368.503 0.413 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ncc2ccccc2c1=O ZINC000047676024 488042367 /nfs/dbraw/zinc/04/23/67/488042367.db2.gz LIJCUAKRXRWMHW-UHFFFAOYSA-N 2 2 371.485 0.881 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ncc2ccccc2c1=O ZINC000047676024 488042372 /nfs/dbraw/zinc/04/23/72/488042372.db2.gz LIJCUAKRXRWMHW-UHFFFAOYSA-N 2 2 371.485 0.881 20 0 FCADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)N(C)C ZINC000049980744 488102559 /nfs/dbraw/zinc/10/25/59/488102559.db2.gz NSMHJPLFVDLYAP-UHFFFAOYSA-N 2 2 361.490 0.921 20 0 FCADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)N(C)C ZINC000049980744 488102561 /nfs/dbraw/zinc/10/25/61/488102561.db2.gz NSMHJPLFVDLYAP-UHFFFAOYSA-N 2 2 361.490 0.921 20 0 FCADLP CCCC[C@H](NC(N)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796853 488114465 /nfs/dbraw/zinc/11/44/65/488114465.db2.gz ICZLEAGVXSHGJJ-INIZCTEOSA-N 2 2 353.511 0.888 20 0 FCADLP CC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000050801064 488115298 /nfs/dbraw/zinc/11/52/98/488115298.db2.gz BKZIZEQVDURFAO-MRXNPFEDSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000052364537 488166053 /nfs/dbraw/zinc/16/60/53/488166053.db2.gz FCDWLGQUDOMYKR-UHFFFAOYSA-N 2 2 371.441 0.779 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000288343684 488972559 /nfs/dbraw/zinc/97/25/59/488972559.db2.gz YUNNAMFCZUZNJL-UHFFFAOYSA-N 2 2 351.451 0.131 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000288343684 488972562 /nfs/dbraw/zinc/97/25/62/488972562.db2.gz YUNNAMFCZUZNJL-UHFFFAOYSA-N 2 2 351.451 0.131 20 0 FCADLP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000056525353 488257634 /nfs/dbraw/zinc/25/76/34/488257634.db2.gz KYFJWXJVFAAFKW-MRXNPFEDSA-N 2 2 359.536 0.686 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279756988 488966545 /nfs/dbraw/zinc/96/65/45/488966545.db2.gz QXMGIUXAYLUVMO-AVGNSLFASA-N 2 2 354.430 0.108 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279756988 488966547 /nfs/dbraw/zinc/96/65/47/488966547.db2.gz QXMGIUXAYLUVMO-AVGNSLFASA-N 2 2 354.430 0.108 20 0 FCADLP C[NH2+][C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000569807736 491193991 /nfs/dbraw/zinc/19/39/91/491193991.db2.gz NWNCFJZBYAZOPZ-QGZVFWFLSA-N 3 2 362.522 0.747 20 0 FCADLP C[NH2+][C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnn(C)c1 ZINC000569807736 491193995 /nfs/dbraw/zinc/19/39/95/491193995.db2.gz NWNCFJZBYAZOPZ-QGZVFWFLSA-N 2 2 362.522 0.747 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000069428246 488372475 /nfs/dbraw/zinc/37/24/75/488372475.db2.gz UTGKHQBGMSESFY-AWEZNQCLSA-N 2 2 364.494 0.679 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859170 488374044 /nfs/dbraw/zinc/37/40/44/488374044.db2.gz RDSUJJHUFZQPNQ-GVDBMIGSSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859170 488374045 /nfs/dbraw/zinc/37/40/45/488374045.db2.gz RDSUJJHUFZQPNQ-GVDBMIGSSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069864677 488374241 /nfs/dbraw/zinc/37/42/41/488374241.db2.gz ODLHCWMNBULSSB-OAHLLOKOSA-N 2 2 368.503 0.485 20 0 FCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069864677 488374242 /nfs/dbraw/zinc/37/42/42/488374242.db2.gz ODLHCWMNBULSSB-OAHLLOKOSA-N 2 2 368.503 0.485 20 0 FCADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+](CCO)CCO)CC2)cc1 ZINC000072939712 488383508 /nfs/dbraw/zinc/38/35/08/488383508.db2.gz CRCZQVQJOFVDDN-UHFFFAOYSA-N 2 2 363.502 0.741 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073882879 488386773 /nfs/dbraw/zinc/38/67/73/488386773.db2.gz MJTNYFWLVDQAGG-LJQANCHMSA-N 2 2 360.502 0.988 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073882879 488386774 /nfs/dbraw/zinc/38/67/74/488386774.db2.gz MJTNYFWLVDQAGG-LJQANCHMSA-N 2 2 360.502 0.988 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000074099719 488387332 /nfs/dbraw/zinc/38/73/32/488387332.db2.gz BZUMGPZOIRJVBQ-UONOGXRCSA-N 2 2 351.495 0.463 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000074099719 488387333 /nfs/dbraw/zinc/38/73/33/488387333.db2.gz BZUMGPZOIRJVBQ-UONOGXRCSA-N 2 2 351.495 0.463 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1=O ZINC000074170091 488388565 /nfs/dbraw/zinc/38/85/65/488388565.db2.gz PQGJJRMPKVMGBP-HNNXBMFYSA-N 2 2 364.515 0.802 20 0 FCADLP C[C@H](CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182667591 488389570 /nfs/dbraw/zinc/38/95/70/488389570.db2.gz FUEXYZVBIJQVDQ-SJORKVTESA-N 2 2 356.511 0.585 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000554335320 491194871 /nfs/dbraw/zinc/19/48/71/491194871.db2.gz TWFWZFLTLUBTCZ-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000554335320 491194873 /nfs/dbraw/zinc/19/48/73/491194873.db2.gz TWFWZFLTLUBTCZ-HZPDHXFCSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074877874 488394556 /nfs/dbraw/zinc/39/45/56/488394556.db2.gz JJFYCEVCCZMPAG-WMZOPIPTSA-N 2 2 351.539 0.996 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074877874 488394557 /nfs/dbraw/zinc/39/45/57/488394557.db2.gz JJFYCEVCCZMPAG-WMZOPIPTSA-N 2 2 351.539 0.996 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000075606176 488397463 /nfs/dbraw/zinc/39/74/63/488397463.db2.gz JIKGSOWVJAWHCV-UHFFFAOYSA-N 2 2 367.519 0.548 20 0 FCADLP C[C@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000075777468 488398965 /nfs/dbraw/zinc/39/89/65/488398965.db2.gz UEXJDFNRXSHNTA-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP C[C@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000075777468 488398966 /nfs/dbraw/zinc/39/89/66/488398966.db2.gz UEXJDFNRXSHNTA-INIZCTEOSA-N 2 2 361.486 0.968 20 0 FCADLP O=C(C[NH+]1CCC(CO)CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000076992637 488408316 /nfs/dbraw/zinc/40/83/16/488408316.db2.gz HZAOGIFDKPEFAZ-UHFFFAOYSA-N 2 2 373.497 0.970 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000077593822 488415747 /nfs/dbraw/zinc/41/57/47/488415747.db2.gz CDTJLAAKZJWEHA-SJORKVTESA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@H](CO)O1 ZINC000190112237 488416606 /nfs/dbraw/zinc/41/66/06/488416606.db2.gz LTNTUVRQFVHHJL-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@H](CO)O1 ZINC000190112237 488416607 /nfs/dbraw/zinc/41/66/07/488416607.db2.gz LTNTUVRQFVHHJL-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@H](CO)O1 ZINC000190112237 488416608 /nfs/dbraw/zinc/41/66/08/488416608.db2.gz LTNTUVRQFVHHJL-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@H](CO)C3)cc2)C[C@H](CO)O1 ZINC000190112237 488416609 /nfs/dbraw/zinc/41/66/09/488416609.db2.gz LTNTUVRQFVHHJL-NFQUHZNNSA-N 2 2 364.486 0.850 20 0 FCADLP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000077830614 488418621 /nfs/dbraw/zinc/41/86/21/488418621.db2.gz TYMWVZUPMGJLGJ-UHFFFAOYSA-N 2 2 374.485 0.915 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000077876999 488419301 /nfs/dbraw/zinc/41/93/01/488419301.db2.gz YGWQZYIMZLTCMP-LSDHHAIUSA-N 2 2 362.540 0.477 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268475330 488422230 /nfs/dbraw/zinc/42/22/30/488422230.db2.gz ZFZQSGWZBBQVEL-ZDUSSCGKSA-N 2 2 358.450 0.281 20 0 FCADLP CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079136284 488428165 /nfs/dbraw/zinc/42/81/65/488428165.db2.gz UHZFDNFTHDZCGA-IAGOWNOFSA-N 2 2 355.527 0.278 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000079929375 488432495 /nfs/dbraw/zinc/43/24/95/488432495.db2.gz YHKHZCKYJQMIDV-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000079929375 488432497 /nfs/dbraw/zinc/43/24/97/488432497.db2.gz YHKHZCKYJQMIDV-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000195234549 488436559 /nfs/dbraw/zinc/43/65/59/488436559.db2.gz JZUWYHARORRGPZ-MRXNPFEDSA-N 2 2 368.522 0.452 20 0 FCADLP CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000195234549 488436563 /nfs/dbraw/zinc/43/65/63/488436563.db2.gz JZUWYHARORRGPZ-MRXNPFEDSA-N 2 2 368.522 0.452 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)NCC(F)(F)F ZINC000083212987 488446473 /nfs/dbraw/zinc/44/64/73/488446473.db2.gz RCOOCLLYJVOUMI-GFCCVEGCSA-N 2 2 366.384 0.419 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)NCC(F)(F)F ZINC000083212987 488446476 /nfs/dbraw/zinc/44/64/76/488446476.db2.gz RCOOCLLYJVOUMI-GFCCVEGCSA-N 2 2 366.384 0.419 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000083695921 488447851 /nfs/dbraw/zinc/44/78/51/488447851.db2.gz MTALGDYWOBMPBG-SFHVURJKSA-N 2 2 364.490 0.583 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085364028 488451577 /nfs/dbraw/zinc/45/15/77/488451577.db2.gz QWWWEXVDBYLQDE-INIZCTEOSA-N 2 2 367.538 0.912 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000086991113 488453564 /nfs/dbraw/zinc/45/35/64/488453564.db2.gz ABTPJGWJCAZJIP-CVEARBPZSA-N 2 2 362.478 0.610 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268861982 488453786 /nfs/dbraw/zinc/45/37/86/488453786.db2.gz DVYLZQXNZIPRMR-CZUORRHYSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268861982 488453788 /nfs/dbraw/zinc/45/37/88/488453788.db2.gz DVYLZQXNZIPRMR-CZUORRHYSA-N 2 2 368.503 0.585 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237460304 488455332 /nfs/dbraw/zinc/45/53/32/488455332.db2.gz KXMNDQVVLGSBGO-RDTXWAMCSA-N 2 2 356.470 0.685 20 0 FCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237491959 488455400 /nfs/dbraw/zinc/45/54/00/488455400.db2.gz CGCSROGKLFNJQB-HOCLYGCPSA-N 2 2 368.547 0.673 20 0 FCADLP CC[NH+](CC)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088478452 488455914 /nfs/dbraw/zinc/45/59/14/488455914.db2.gz BICQZSGKWKYLQS-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237926424 488457759 /nfs/dbraw/zinc/45/77/59/488457759.db2.gz WAPQWYSYVYIDRI-QRVBRYPASA-N 2 2 359.470 0.867 20 0 FCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237926424 488457760 /nfs/dbraw/zinc/45/77/60/488457760.db2.gz WAPQWYSYVYIDRI-QRVBRYPASA-N 2 2 359.470 0.867 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000089926609 488458877 /nfs/dbraw/zinc/45/88/77/488458877.db2.gz RDIQCASGWOXONG-QGZVFWFLSA-N 2 2 373.457 0.940 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000238103999 488459012 /nfs/dbraw/zinc/45/90/12/488459012.db2.gz GGFPWEXOKAMKTQ-AYHJJNSGSA-N 2 2 356.470 0.730 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000238103999 488459013 /nfs/dbraw/zinc/45/90/13/488459013.db2.gz GGFPWEXOKAMKTQ-AYHJJNSGSA-N 2 2 356.470 0.730 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000091179940 488461611 /nfs/dbraw/zinc/46/16/11/488461611.db2.gz UQNLHABZICLPIT-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP CC[N@H+]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000091179940 488461612 /nfs/dbraw/zinc/46/16/12/488461612.db2.gz UQNLHABZICLPIT-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000245956990 488468595 /nfs/dbraw/zinc/46/85/95/488468595.db2.gz QVOVQZJTZJUXEE-RDJZCZTQSA-N 2 2 367.515 0.871 20 0 FCADLP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000245956990 488468598 /nfs/dbraw/zinc/46/85/98/488468598.db2.gz QVOVQZJTZJUXEE-RDJZCZTQSA-N 2 2 367.515 0.871 20 0 FCADLP COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000093169474 488478131 /nfs/dbraw/zinc/47/81/31/488478131.db2.gz LICOOQRRFKZCBC-MRXNPFEDSA-N 2 2 374.485 0.758 20 0 FCADLP COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000093169474 488478134 /nfs/dbraw/zinc/47/81/34/488478134.db2.gz LICOOQRRFKZCBC-MRXNPFEDSA-N 2 2 374.485 0.758 20 0 FCADLP COCCOCCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269209974 488479107 /nfs/dbraw/zinc/47/91/07/488479107.db2.gz OYRXXZNIAAIIFB-SFHVURJKSA-N 2 2 360.458 0.971 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269235133 488481398 /nfs/dbraw/zinc/48/13/98/488481398.db2.gz WNQTXKNROUZFNF-QGZVFWFLSA-N 2 2 374.485 0.446 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000269240712 488481582 /nfs/dbraw/zinc/48/15/82/488481582.db2.gz BDTHNRFLXVDKAZ-HKUYNNGSSA-N 3 2 371.485 0.638 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000269240712 488481585 /nfs/dbraw/zinc/48/15/85/488481585.db2.gz BDTHNRFLXVDKAZ-HKUYNNGSSA-N 3 2 371.485 0.638 20 0 FCADLP O=C(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000269252571 488482702 /nfs/dbraw/zinc/48/27/02/488482702.db2.gz ZJCNCZJLLHEICR-QGZVFWFLSA-N 2 2 360.458 0.584 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000247339727 488485046 /nfs/dbraw/zinc/48/50/46/488485046.db2.gz XLWJVUKHMATCCX-HZPDHXFCSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000247339727 488485049 /nfs/dbraw/zinc/48/50/49/488485049.db2.gz XLWJVUKHMATCCX-HZPDHXFCSA-N 2 2 372.535 0.039 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000247692235 488488962 /nfs/dbraw/zinc/48/89/62/488488962.db2.gz WCNFNMBIBROBOQ-IRXDYDNUSA-N 2 2 360.506 0.627 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000247692235 488488965 /nfs/dbraw/zinc/48/89/65/488488965.db2.gz WCNFNMBIBROBOQ-IRXDYDNUSA-N 2 2 360.506 0.627 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000247962040 488492111 /nfs/dbraw/zinc/49/21/11/488492111.db2.gz GJMZYTKYQDMCLH-NVXWUHKLSA-N 2 2 351.447 0.396 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000247962040 488492113 /nfs/dbraw/zinc/49/21/13/488492113.db2.gz GJMZYTKYQDMCLH-NVXWUHKLSA-N 2 2 351.447 0.396 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000248717757 488502323 /nfs/dbraw/zinc/50/23/23/488502323.db2.gz NYBYNKNCDCJJKS-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000248717757 488502325 /nfs/dbraw/zinc/50/23/25/488502325.db2.gz NYBYNKNCDCJJKS-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248717757 488502326 /nfs/dbraw/zinc/50/23/26/488502326.db2.gz NYBYNKNCDCJJKS-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248717757 488502329 /nfs/dbraw/zinc/50/23/29/488502329.db2.gz NYBYNKNCDCJJKS-MSOLQXFVSA-N 2 2 369.554 0.668 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1CO ZINC000248975295 488504748 /nfs/dbraw/zinc/50/47/48/488504748.db2.gz UGKHGHNOPPBGOV-APWZRJJASA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000249081521 488506219 /nfs/dbraw/zinc/50/62/19/488506219.db2.gz AEVRXRVVWKRYSI-XHSDSOJGSA-N 2 2 359.474 0.752 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000249108384 488506407 /nfs/dbraw/zinc/50/64/07/488506407.db2.gz MBVDQHGAICAZOX-DLBZAZTESA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000249108384 488506409 /nfs/dbraw/zinc/50/64/09/488506409.db2.gz MBVDQHGAICAZOX-DLBZAZTESA-N 2 2 370.538 0.830 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000554459604 491203616 /nfs/dbraw/zinc/20/36/16/491203616.db2.gz SEWSRTASPLJUMH-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000554459604 491203617 /nfs/dbraw/zinc/20/36/17/491203617.db2.gz SEWSRTASPLJUMH-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000105193273 488508054 /nfs/dbraw/zinc/50/80/54/488508054.db2.gz MUGUOYKUFONAKU-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000105193273 488508055 /nfs/dbraw/zinc/50/80/55/488508055.db2.gz MUGUOYKUFONAKU-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1CCO ZINC000249513862 488510982 /nfs/dbraw/zinc/51/09/82/488510982.db2.gz PIVKDQHEZUUHTP-LPHOPBHVSA-N 2 2 361.486 0.709 20 0 FCADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1CCO ZINC000249513862 488510985 /nfs/dbraw/zinc/51/09/85/488510985.db2.gz PIVKDQHEZUUHTP-LPHOPBHVSA-N 2 2 361.486 0.709 20 0 FCADLP COCCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041254 488511041 /nfs/dbraw/zinc/51/10/41/488511041.db2.gz BWMACFIKYANZTO-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000249541036 488511426 /nfs/dbraw/zinc/51/14/26/488511426.db2.gz DXWFHMUVXXMIOK-IBGZPJMESA-N 2 2 374.529 0.638 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000249541036 488511427 /nfs/dbraw/zinc/51/14/27/488511427.db2.gz DXWFHMUVXXMIOK-IBGZPJMESA-N 2 2 374.529 0.638 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549807 488511578 /nfs/dbraw/zinc/51/15/78/488511578.db2.gz HMZHTJZABNFAFJ-QKPAOTATSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549807 488511579 /nfs/dbraw/zinc/51/15/79/488511579.db2.gz HMZHTJZABNFAFJ-QKPAOTATSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549807 488511581 /nfs/dbraw/zinc/51/15/81/488511581.db2.gz HMZHTJZABNFAFJ-QKPAOTATSA-N 2 2 354.495 0.175 20 0 FCADLP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)C[C@@H]2C(N)=O)[C@@H](C(N)=O)C1 ZINC000249549807 488511583 /nfs/dbraw/zinc/51/15/83/488511583.db2.gz HMZHTJZABNFAFJ-QKPAOTATSA-N 2 2 354.495 0.175 20 0 FCADLP CN(C(=O)Nc1ccccn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106449191 488515005 /nfs/dbraw/zinc/51/50/05/488515005.db2.gz RZQPDLWHCPHPIU-UHFFFAOYSA-N 2 2 374.489 0.784 20 0 FCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCN3CCO[C@@H](C)C3)C[C@H]2C)CCO1 ZINC000253356048 488519836 /nfs/dbraw/zinc/51/98/36/488519836.db2.gz XPQWOABVSZADLR-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCN3CCO[C@@H](C)C3)C[C@H]2C)CCO1 ZINC000253356048 488519838 /nfs/dbraw/zinc/51/98/38/488519838.db2.gz XPQWOABVSZADLR-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCN3CCO[C@@H](C)C3)C[C@H]2C)CCO1 ZINC000253356048 488519840 /nfs/dbraw/zinc/51/98/40/488519840.db2.gz XPQWOABVSZADLR-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCN3CCO[C@@H](C)C3)C[C@H]2C)CCO1 ZINC000253356048 488519841 /nfs/dbraw/zinc/51/98/41/488519841.db2.gz XPQWOABVSZADLR-CEXWTWQISA-N 2 2 354.539 0.434 20 0 FCADLP CN1CC[N@H+](CCCNC(=O)CN2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000109946310 488524759 /nfs/dbraw/zinc/52/47/59/488524759.db2.gz IFVCEVMBIGLWJC-HXUWFJFHSA-N 2 2 373.545 0.729 20 0 FCADLP CN1CC[N@@H+](CCCNC(=O)CN2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000109946310 488524760 /nfs/dbraw/zinc/52/47/60/488524760.db2.gz IFVCEVMBIGLWJC-HXUWFJFHSA-N 2 2 373.545 0.729 20 0 FCADLP C[NH+]1CCN(CC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000109946310 488524763 /nfs/dbraw/zinc/52/47/63/488524763.db2.gz IFVCEVMBIGLWJC-HXUWFJFHSA-N 2 2 373.545 0.729 20 0 FCADLP C[NH+]1CCN(CC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000109946310 488524765 /nfs/dbraw/zinc/52/47/65/488524765.db2.gz IFVCEVMBIGLWJC-HXUWFJFHSA-N 2 2 373.545 0.729 20 0 FCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608647 488530693 /nfs/dbraw/zinc/53/06/93/488530693.db2.gz ALGYWLMHXYCEPW-IUODEOHRSA-N 2 2 354.476 0.324 20 0 FCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(S(N)(=O)=O)c1 ZINC000271608647 488530695 /nfs/dbraw/zinc/53/06/95/488530695.db2.gz ALGYWLMHXYCEPW-IUODEOHRSA-N 2 2 354.476 0.324 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000569991720 491208809 /nfs/dbraw/zinc/20/88/09/491208809.db2.gz DPRIERHIMRGWOK-QWHCGFSZSA-N 2 2 361.471 0.795 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000271652064 488535382 /nfs/dbraw/zinc/53/53/82/488535382.db2.gz VLJUNCLSMQGBHQ-CQSZACIVSA-N 2 2 351.451 0.860 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000271652064 488535385 /nfs/dbraw/zinc/53/53/85/488535385.db2.gz VLJUNCLSMQGBHQ-CQSZACIVSA-N 2 2 351.451 0.860 20 0 FCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000261803275 488536672 /nfs/dbraw/zinc/53/66/72/488536672.db2.gz OGWPUPLGEMKCKK-AEFFLSMTSA-N 2 2 363.458 0.854 20 0 FCADLP O=C(NCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@@H]1CCC[NH2+]1 ZINC000261864566 488539164 /nfs/dbraw/zinc/53/91/64/488539164.db2.gz USHIWRCHSAJDOA-INIZCTEOSA-N 2 2 371.441 0.937 20 0 FCADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000114455171 488540905 /nfs/dbraw/zinc/54/09/05/488540905.db2.gz KMFZEEQJWVQLLZ-INIZCTEOSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000114455171 488540907 /nfs/dbraw/zinc/54/09/07/488540907.db2.gz KMFZEEQJWVQLLZ-INIZCTEOSA-N 2 2 359.536 0.875 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562998 488541021 /nfs/dbraw/zinc/54/10/21/488541021.db2.gz XZVYEDWPWGBSCS-LJQANCHMSA-N 3 2 365.566 0.687 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000114562998 488541024 /nfs/dbraw/zinc/54/10/24/488541024.db2.gz XZVYEDWPWGBSCS-LJQANCHMSA-N 3 2 365.566 0.687 20 0 FCADLP C[C@@]1(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC[NH2+]C1 ZINC000262064658 488548680 /nfs/dbraw/zinc/54/86/80/488548680.db2.gz RMSFLAHNZWDLJO-GFCCVEGCSA-N 2 2 358.430 0.437 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000261924536 488542337 /nfs/dbraw/zinc/54/23/37/488542337.db2.gz BYZGVLYRNUCFPM-OAHLLOKOSA-N 2 2 353.488 0.910 20 0 FCADLP CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000261924536 488542338 /nfs/dbraw/zinc/54/23/38/488542338.db2.gz BYZGVLYRNUCFPM-OAHLLOKOSA-N 2 2 353.488 0.910 20 0 FCADLP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000115519488 488544834 /nfs/dbraw/zinc/54/48/34/488544834.db2.gz ZIHGVZVVWPAHDF-INIZCTEOSA-N 2 2 363.506 0.968 20 0 FCADLP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000115519488 488544836 /nfs/dbraw/zinc/54/48/36/488544836.db2.gz ZIHGVZVVWPAHDF-INIZCTEOSA-N 2 2 363.506 0.968 20 0 FCADLP C[N@H+](CCCO)C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000115519488 488544837 /nfs/dbraw/zinc/54/48/37/488544837.db2.gz ZIHGVZVVWPAHDF-INIZCTEOSA-N 2 2 363.506 0.968 20 0 FCADLP C[N@@H+](CCCO)C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000115519488 488544839 /nfs/dbraw/zinc/54/48/39/488544839.db2.gz ZIHGVZVVWPAHDF-INIZCTEOSA-N 2 2 363.506 0.968 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262271943 488560526 /nfs/dbraw/zinc/56/05/26/488560526.db2.gz WPKKJBXVOFQWRB-IMJJTQAJSA-N 2 2 369.473 0.933 20 0 FCADLP Cc1n[nH]cc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121040143 488564548 /nfs/dbraw/zinc/56/45/48/488564548.db2.gz NZWLMPPDQFEZDK-UHFFFAOYSA-N 2 2 364.475 0.355 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000562996621 491206780 /nfs/dbraw/zinc/20/67/80/491206780.db2.gz RRYTVKNXBFUZME-XLMAVXFVSA-N 2 2 351.495 0.449 20 0 FCADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936358 488573547 /nfs/dbraw/zinc/57/35/47/488573547.db2.gz PDNBMXBFRLTQJK-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936358 488573549 /nfs/dbraw/zinc/57/35/49/488573549.db2.gz PDNBMXBFRLTQJK-HKUYNNGSSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000122263588 488576650 /nfs/dbraw/zinc/57/66/50/488576650.db2.gz OTDXRLKDPCXBMN-SFHVURJKSA-N 2 2 373.545 0.686 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000122263588 488576654 /nfs/dbraw/zinc/57/66/54/488576654.db2.gz OTDXRLKDPCXBMN-SFHVURJKSA-N 2 2 373.545 0.686 20 0 FCADLP C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122919193 488581498 /nfs/dbraw/zinc/58/14/98/488581498.db2.gz XTASDTLUYUUUHS-CQSZACIVSA-N 2 2 350.463 0.882 20 0 FCADLP C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122919193 488581500 /nfs/dbraw/zinc/58/15/00/488581500.db2.gz XTASDTLUYUUUHS-CQSZACIVSA-N 2 2 350.463 0.882 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1nnc2ccccc2c1=O ZINC000122933753 488581763 /nfs/dbraw/zinc/58/17/63/488581763.db2.gz HOJPIICYFXYZAA-UHFFFAOYSA-N 2 2 372.473 0.276 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1nnc2ccccc2c1=O ZINC000122933753 488581764 /nfs/dbraw/zinc/58/17/64/488581764.db2.gz HOJPIICYFXYZAA-UHFFFAOYSA-N 2 2 372.473 0.276 20 0 FCADLP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000262643049 488584121 /nfs/dbraw/zinc/58/41/21/488584121.db2.gz PWVRKUZBYLYOQF-ROUUACIJSA-N 2 2 358.442 0.675 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CSC[NH2+]1 ZINC000262680576 488585922 /nfs/dbraw/zinc/58/59/22/488585922.db2.gz SMIYEYZGTIODNR-HNNXBMFYSA-N 2 2 351.472 0.676 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1(C)C ZINC000262754537 488590433 /nfs/dbraw/zinc/59/04/33/488590433.db2.gz ARPIGYDPIWVJCW-ZTFGCOKTSA-N 2 2 371.547 0.843 20 0 FCADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000124357124 488591619 /nfs/dbraw/zinc/59/16/19/488591619.db2.gz CVSJEUNDJCDVJU-UHFFFAOYSA-N 2 2 359.474 0.147 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000124405593 488592490 /nfs/dbraw/zinc/59/24/90/488592490.db2.gz ZTZSUXYJVKRXIH-AWEZNQCLSA-N 2 2 357.520 0.486 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000563056257 491210861 /nfs/dbraw/zinc/21/08/61/491210861.db2.gz GDOIGRSQTHQVJJ-MSOLQXFVSA-N 2 2 374.485 0.434 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263052661 488603721 /nfs/dbraw/zinc/60/37/21/488603721.db2.gz URYVVSKQZLEJRF-RDTXWAMCSA-N 2 2 357.462 0.920 20 0 FCADLP C[C@H](C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000125814757 488604460 /nfs/dbraw/zinc/60/44/60/488604460.db2.gz JRVAVPNTCKPIKN-MRXNPFEDSA-N 2 2 363.481 0.358 20 0 FCADLP [NH3+]CCCn1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)nn1 ZINC000563069194 491211827 /nfs/dbraw/zinc/21/18/27/491211827.db2.gz HXWCJVIRIKQSBX-QGZVFWFLSA-N 2 2 372.473 0.300 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(=O)NC1CC1 ZINC000127008498 488614128 /nfs/dbraw/zinc/61/41/28/488614128.db2.gz UHXGMGXPQOZBLK-YJBOKZPZSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127008498 488614130 /nfs/dbraw/zinc/61/41/30/488614130.db2.gz UHXGMGXPQOZBLK-YJBOKZPZSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127008498 488614131 /nfs/dbraw/zinc/61/41/31/488614131.db2.gz UHXGMGXPQOZBLK-YJBOKZPZSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CC(=O)NC1CC1 ZINC000127008498 488614133 /nfs/dbraw/zinc/61/41/33/488614133.db2.gz UHXGMGXPQOZBLK-YJBOKZPZSA-N 2 2 358.486 0.976 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000127344608 488616202 /nfs/dbraw/zinc/61/62/02/488616202.db2.gz AMIZQMBXSIBYIM-UHFFFAOYSA-N 2 2 374.485 0.664 20 0 FCADLP COCC[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000263712744 488621138 /nfs/dbraw/zinc/62/11/38/488621138.db2.gz DQNPTURICFWQSB-GOSISDBHSA-N 2 2 364.490 0.765 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000263712744 488621140 /nfs/dbraw/zinc/62/11/40/488621140.db2.gz DQNPTURICFWQSB-GOSISDBHSA-N 2 2 364.490 0.765 20 0 FCADLP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263712744 488621142 /nfs/dbraw/zinc/62/11/42/488621142.db2.gz DQNPTURICFWQSB-GOSISDBHSA-N 2 2 364.490 0.765 20 0 FCADLP COCC[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263712744 488621143 /nfs/dbraw/zinc/62/11/43/488621143.db2.gz DQNPTURICFWQSB-GOSISDBHSA-N 2 2 364.490 0.765 20 0 FCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000130669190 488640031 /nfs/dbraw/zinc/64/00/31/488640031.db2.gz IIWBDJPXLIUTPO-UHFFFAOYSA-N 2 2 363.510 0.924 20 0 FCADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)ccc2n1C ZINC000130805145 488640204 /nfs/dbraw/zinc/64/02/04/488640204.db2.gz MPFBVDRWPJTKOH-ZDUSSCGKSA-N 2 2 372.473 0.572 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000130839139 488640712 /nfs/dbraw/zinc/64/07/12/488640712.db2.gz BJIPCNCAEWHFLI-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000130839139 488640713 /nfs/dbraw/zinc/64/07/13/488640713.db2.gz BJIPCNCAEWHFLI-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000130839139 488640714 /nfs/dbraw/zinc/64/07/14/488640714.db2.gz BJIPCNCAEWHFLI-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000130839139 488640715 /nfs/dbraw/zinc/64/07/15/488640715.db2.gz BJIPCNCAEWHFLI-LJQANCHMSA-N 2 2 360.502 0.641 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000554573292 491210330 /nfs/dbraw/zinc/21/03/30/491210330.db2.gz WWCNDDNNYMQIJW-IAGOWNOFSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000554573292 491210331 /nfs/dbraw/zinc/21/03/31/491210331.db2.gz WWCNDDNNYMQIJW-IAGOWNOFSA-N 2 2 355.527 0.111 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)ccn2)CC1 ZINC000135967010 488675559 /nfs/dbraw/zinc/67/55/59/488675559.db2.gz UESFCEBSZCUNQY-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000135936929 488675959 /nfs/dbraw/zinc/67/59/59/488675959.db2.gz HSYYASJTTHUGEY-INIZCTEOSA-N 2 2 354.458 0.909 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264479627 488677597 /nfs/dbraw/zinc/67/75/97/488677597.db2.gz ZUKYYZFCXZWEJI-QUCCMNQESA-N 2 2 373.545 0.727 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000264842559 488718431 /nfs/dbraw/zinc/71/84/31/488718431.db2.gz JBANZELZQINYTR-UHFFFAOYSA-N 2 2 365.503 0.766 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000264848469 488719032 /nfs/dbraw/zinc/71/90/32/488719032.db2.gz BMEODHLWXBBVHF-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000264848469 488719033 /nfs/dbraw/zinc/71/90/33/488719033.db2.gz BMEODHLWXBBVHF-UHFFFAOYSA-N 2 2 362.474 0.649 20 0 FCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000152583008 488719723 /nfs/dbraw/zinc/71/97/23/488719723.db2.gz PULHUMNHSRCWMO-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000152583008 488719725 /nfs/dbraw/zinc/71/97/25/488719725.db2.gz PULHUMNHSRCWMO-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266144598 488723848 /nfs/dbraw/zinc/72/38/48/488723848.db2.gz MQFQWYIWQIYPJK-UHFFFAOYSA-N 2 2 360.502 0.838 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3nnc(-c4ccco4)o3)C2)CC1 ZINC000153179198 488728067 /nfs/dbraw/zinc/72/80/67/488728067.db2.gz DZZXKHUUMVQPTK-CQSZACIVSA-N 2 2 374.445 0.980 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3nnc(-c4ccco4)o3)C2)CC1 ZINC000153179198 488728070 /nfs/dbraw/zinc/72/80/70/488728070.db2.gz DZZXKHUUMVQPTK-CQSZACIVSA-N 2 2 374.445 0.980 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000570087602 491215574 /nfs/dbraw/zinc/21/55/74/491215574.db2.gz RXVVSAVSUSAKAG-JZXOWHBKSA-N 2 2 368.522 0.258 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153653576 488733665 /nfs/dbraw/zinc/73/36/65/488733665.db2.gz WXYHRFGTUYTBFX-JKSUJKDBSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153653576 488733666 /nfs/dbraw/zinc/73/36/66/488733666.db2.gz WXYHRFGTUYTBFX-JKSUJKDBSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153653656 488733722 /nfs/dbraw/zinc/73/37/22/488733722.db2.gz WXYHRFGTUYTBFX-HZPDHXFCSA-N 2 2 368.547 0.579 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000153653656 488733725 /nfs/dbraw/zinc/73/37/25/488733725.db2.gz WXYHRFGTUYTBFX-HZPDHXFCSA-N 2 2 368.547 0.579 20 0 FCADLP CN1CCN(c2cc(NCCN3CCC([NH+](C)C)CC3)nc[nH+]2)CC1=O ZINC000274872586 488739237 /nfs/dbraw/zinc/73/92/37/488739237.db2.gz GBMATSFAVWMJOZ-UHFFFAOYSA-N 2 2 361.494 0.193 20 0 FCADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266953150 488747105 /nfs/dbraw/zinc/74/71/05/488747105.db2.gz UWCVPDKDCJTPMH-GFCCVEGCSA-N 2 2 369.429 0.739 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000155093711 488751371 /nfs/dbraw/zinc/75/13/71/488751371.db2.gz RGUJERMFZJHQBV-YESZJQIVSA-N 2 2 354.495 0.458 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000155093711 488751372 /nfs/dbraw/zinc/75/13/72/488751372.db2.gz RGUJERMFZJHQBV-YESZJQIVSA-N 2 2 354.495 0.458 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000554741521 491222451 /nfs/dbraw/zinc/22/24/51/491222451.db2.gz OOKBVNAJWQEMNJ-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000554741521 491222452 /nfs/dbraw/zinc/22/24/52/491222452.db2.gz OOKBVNAJWQEMNJ-OALUTQOASA-N 2 2 361.486 0.314 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000156201894 488763262 /nfs/dbraw/zinc/76/32/62/488763262.db2.gz XGZNMHZZGWDAEH-KRWDZBQOSA-N 2 2 373.501 0.967 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156200680 488763267 /nfs/dbraw/zinc/76/32/67/488763267.db2.gz AFRCKZLNZQSVFD-ZWKOTPCHSA-N 2 2 368.522 0.728 20 0 FCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000570162219 491221098 /nfs/dbraw/zinc/22/10/98/491221098.db2.gz CFBBVRRCPTXDEC-NEWSRXKRSA-N 2 2 362.518 0.450 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000570162219 491221099 /nfs/dbraw/zinc/22/10/99/491221099.db2.gz CFBBVRRCPTXDEC-NEWSRXKRSA-N 2 2 362.518 0.450 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000267270074 488773309 /nfs/dbraw/zinc/77/33/09/488773309.db2.gz DYTSORGOOUDTNR-UHFFFAOYSA-N 2 2 364.446 0.988 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000162266417 488801351 /nfs/dbraw/zinc/80/13/51/488801351.db2.gz SQVVAJLNPXHORZ-WBVHZDCISA-N 2 2 362.449 0.779 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000162266417 488801354 /nfs/dbraw/zinc/80/13/54/488801354.db2.gz SQVVAJLNPXHORZ-WBVHZDCISA-N 2 2 362.449 0.779 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)[C@@H](C[NH3+])C1 ZINC000162514531 488803386 /nfs/dbraw/zinc/80/33/86/488803386.db2.gz KPEBDTBMBUBAER-LBPRGKRZSA-N 2 2 355.398 0.244 20 0 FCADLP C[N@H+]1CCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)[C@@H](C[NH3+])C1 ZINC000162514531 488803388 /nfs/dbraw/zinc/80/33/88/488803388.db2.gz KPEBDTBMBUBAER-LBPRGKRZSA-N 2 2 355.398 0.244 20 0 FCADLP C[NH+](C)[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000162594800 488803486 /nfs/dbraw/zinc/80/34/86/488803486.db2.gz PKOWSURNLXLETF-INIZCTEOSA-N 2 2 359.474 0.673 20 0 FCADLP COc1ccc(-c2noc(CCC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])n2)cc1 ZINC000162611833 488804098 /nfs/dbraw/zinc/80/40/98/488804098.db2.gz LAEIPNLKGHXTSZ-AWEZNQCLSA-N 2 2 359.430 0.779 20 0 FCADLP COc1ccc(-c2noc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])n2)cc1 ZINC000162611833 488804099 /nfs/dbraw/zinc/80/40/99/488804099.db2.gz LAEIPNLKGHXTSZ-AWEZNQCLSA-N 2 2 359.430 0.779 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCOC1 ZINC000162813129 488804935 /nfs/dbraw/zinc/80/49/35/488804935.db2.gz JSMAGYWLEYBWDF-KBPBESRZSA-N 2 2 373.461 0.027 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000163422253 488807158 /nfs/dbraw/zinc/80/71/58/488807158.db2.gz UFBJINHTZQJNBS-QGZVFWFLSA-N 3 2 369.554 0.622 20 0 FCADLP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000163422253 488807161 /nfs/dbraw/zinc/80/71/61/488807161.db2.gz UFBJINHTZQJNBS-QGZVFWFLSA-N 3 2 369.554 0.622 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000163355274 488807259 /nfs/dbraw/zinc/80/72/59/488807259.db2.gz YOGJOZXOHGLCRZ-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000163355274 488807261 /nfs/dbraw/zinc/80/72/61/488807261.db2.gz YOGJOZXOHGLCRZ-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000163355274 488807262 /nfs/dbraw/zinc/80/72/62/488807262.db2.gz YOGJOZXOHGLCRZ-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000163355274 488807264 /nfs/dbraw/zinc/80/72/64/488807264.db2.gz YOGJOZXOHGLCRZ-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC000163493359 488808054 /nfs/dbraw/zinc/80/80/54/488808054.db2.gz WOOPDXCTHJBDJX-QZTJIDSGSA-N 2 2 367.538 0.376 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000163647002 488808310 /nfs/dbraw/zinc/80/83/10/488808310.db2.gz VOJQCNLKCNKPJZ-QGZVFWFLSA-N 2 2 360.506 0.987 20 0 FCADLP [NH3+]Cc1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000166794864 488811938 /nfs/dbraw/zinc/81/19/38/488811938.db2.gz VLSSFIHFGNOSPT-UHFFFAOYSA-N 2 2 357.414 0.602 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000168555567 488812835 /nfs/dbraw/zinc/81/28/35/488812835.db2.gz HRUONWKSNNDVQU-QGZVFWFLSA-N 2 2 365.499 0.326 20 0 FCADLP C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC([NH3+])C1 ZINC000563154323 491222941 /nfs/dbraw/zinc/22/29/41/491222941.db2.gz XAGGVJJQEMLGIZ-UHFFFAOYSA-N 2 2 369.263 0.925 20 0 FCADLP C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC([NH3+])C1 ZINC000563154323 491222943 /nfs/dbraw/zinc/22/29/43/491222943.db2.gz XAGGVJJQEMLGIZ-UHFFFAOYSA-N 2 2 369.263 0.925 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCOCC3(C)C)cc2C1 ZINC000170846564 488816746 /nfs/dbraw/zinc/81/67/46/488816746.db2.gz BMJFPLAHGQGQAL-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC[NH+]3CCOCC3(C)C)cc2C1 ZINC000170846564 488816747 /nfs/dbraw/zinc/81/67/47/488816747.db2.gz BMJFPLAHGQGQAL-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[NH+]1Cc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCOCC3(C)C)cc2C1 ZINC000170846564 488816749 /nfs/dbraw/zinc/81/67/49/488816749.db2.gz BMJFPLAHGQGQAL-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[NH+]1Cc2ccc(NC(=O)C(=O)NCC[N@H+]3CCOCC3(C)C)cc2C1 ZINC000170846564 488816751 /nfs/dbraw/zinc/81/67/51/488816751.db2.gz BMJFPLAHGQGQAL-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000170846723 488817003 /nfs/dbraw/zinc/81/70/03/488817003.db2.gz DHNZKIQHVQNBGN-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000170846723 488817005 /nfs/dbraw/zinc/81/70/05/488817005.db2.gz DHNZKIQHVQNBGN-UHFFFAOYSA-N 2 2 362.474 0.914 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[NH+](C)C)c2)CC1 ZINC000171192023 488820664 /nfs/dbraw/zinc/82/06/64/488820664.db2.gz ACHVTNWRAWJZBG-UHFFFAOYSA-N 2 2 354.476 0.513 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC(=O)NC1CC1 ZINC000171631417 488824517 /nfs/dbraw/zinc/82/45/17/488824517.db2.gz RWTPRTOWNSOCSW-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC(=O)NC1CC1 ZINC000171631417 488824518 /nfs/dbraw/zinc/82/45/18/488824518.db2.gz RWTPRTOWNSOCSW-UHFFFAOYSA-N 2 2 353.511 0.713 20 0 FCADLP CN(C)CC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000172202683 488831077 /nfs/dbraw/zinc/83/10/77/488831077.db2.gz MQOZFYMPZFQDOL-UHFFFAOYSA-N 2 2 354.539 0.879 20 0 FCADLP C[NH+](C)CCN1CCC(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000172202683 488831078 /nfs/dbraw/zinc/83/10/78/488831078.db2.gz MQOZFYMPZFQDOL-UHFFFAOYSA-N 2 2 354.539 0.879 20 0 FCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000267969991 488831411 /nfs/dbraw/zinc/83/14/11/488831411.db2.gz ZKAQREIIVNQAGA-HNNXBMFYSA-N 2 2 374.445 0.679 20 0 FCADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172698011 488836723 /nfs/dbraw/zinc/83/67/23/488836723.db2.gz YUJVHDQGBRRNPS-ZDUSSCGKSA-N 2 2 355.870 0.405 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000173291479 488842001 /nfs/dbraw/zinc/84/20/01/488842001.db2.gz BEZZFIKESRMFKB-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000173291479 488842002 /nfs/dbraw/zinc/84/20/02/488842002.db2.gz BEZZFIKESRMFKB-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H]1C ZINC000173291479 488842004 /nfs/dbraw/zinc/84/20/04/488842004.db2.gz BEZZFIKESRMFKB-ZWKOTPCHSA-N 2 2 374.529 0.961 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000174147777 488847674 /nfs/dbraw/zinc/84/76/74/488847674.db2.gz DIMVPHFKBJABAA-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000174147777 488847675 /nfs/dbraw/zinc/84/76/75/488847675.db2.gz DIMVPHFKBJABAA-UHFFFAOYSA-N 2 2 369.554 0.765 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000174545539 488849743 /nfs/dbraw/zinc/84/97/43/488849743.db2.gz DWKGYUOHFDBAMB-KRWDZBQOSA-N 2 2 374.485 0.663 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000174545539 488849744 /nfs/dbraw/zinc/84/97/44/488849744.db2.gz DWKGYUOHFDBAMB-KRWDZBQOSA-N 2 2 374.485 0.663 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000174995047 488852683 /nfs/dbraw/zinc/85/26/83/488852683.db2.gz BRGRSJXMJXQMLS-UHFFFAOYSA-N 2 2 368.428 0.837 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](CC(N)=O)C3)CC2)CC1 ZINC000175412737 488854081 /nfs/dbraw/zinc/85/40/81/488854081.db2.gz CWSOOOXGHPLQNI-OAHLLOKOSA-N 2 2 365.522 0.842 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000175650399 488854900 /nfs/dbraw/zinc/85/49/00/488854900.db2.gz FUCXXQOJEUOJLX-BZSNNMDCSA-N 2 2 368.522 0.705 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175737711 488855231 /nfs/dbraw/zinc/85/52/31/488855231.db2.gz VFGKBLQDMKFMBK-JKSUJKDBSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000175737711 488855232 /nfs/dbraw/zinc/85/52/32/488855232.db2.gz VFGKBLQDMKFMBK-JKSUJKDBSA-N 3 2 355.527 0.421 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCOCC1 ZINC000175803753 488855706 /nfs/dbraw/zinc/85/57/06/488855706.db2.gz IIJYQSDCJVEBRU-IXDOHACOSA-N 2 2 354.495 0.317 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000175807859 488855812 /nfs/dbraw/zinc/85/58/12/488855812.db2.gz VOVZQSNBHDPQKN-GOSISDBHSA-N 2 2 369.554 0.624 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000175807859 488855813 /nfs/dbraw/zinc/85/58/13/488855813.db2.gz VOVZQSNBHDPQKN-GOSISDBHSA-N 2 2 369.554 0.624 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000176073667 488857309 /nfs/dbraw/zinc/85/73/09/488857309.db2.gz WPWIJNOQYFCQOC-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCO1 ZINC000176073667 488857310 /nfs/dbraw/zinc/85/73/10/488857310.db2.gz WPWIJNOQYFCQOC-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000177154737 488859262 /nfs/dbraw/zinc/85/92/62/488859262.db2.gz ADYKSJADEABUKO-UHFFFAOYSA-N 2 2 374.551 0.334 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179649391 488861484 /nfs/dbraw/zinc/86/14/84/488861484.db2.gz QYOMMDRZLBASSF-OAHLLOKOSA-N 2 2 374.485 0.769 20 0 FCADLP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179642461 488861525 /nfs/dbraw/zinc/86/15/25/488861525.db2.gz HZPCQLCRBXJJNT-MRXNPFEDSA-N 2 2 367.519 0.628 20 0 FCADLP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179642461 488861526 /nfs/dbraw/zinc/86/15/26/488861526.db2.gz HZPCQLCRBXJJNT-MRXNPFEDSA-N 2 2 367.519 0.628 20 0 FCADLP CC1(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)COC1 ZINC000329173378 488976859 /nfs/dbraw/zinc/97/68/59/488976859.db2.gz LKSWQSPNNQXDNA-UHFFFAOYSA-N 2 2 354.476 0.160 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000570234057 491226532 /nfs/dbraw/zinc/22/65/32/491226532.db2.gz RVDHWCKSRQSSPH-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000570234057 491226535 /nfs/dbraw/zinc/22/65/35/491226535.db2.gz RVDHWCKSRQSSPH-IRXDYDNUSA-N 2 2 366.506 0.158 20 0 FCADLP O=C1[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCN1CC(F)(F)F ZINC000364734894 488994356 /nfs/dbraw/zinc/99/43/56/488994356.db2.gz ABEVRODCGJCDRK-CYBMUJFWSA-N 2 2 365.396 0.309 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[N@H+]1CC=CCC1 ZINC000280379752 489002607 /nfs/dbraw/zinc/00/26/07/489002607.db2.gz ZQKPTYRZJIXULU-UHFFFAOYSA-N 2 2 371.485 0.889 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[N@@H+]1CC=CCC1 ZINC000280379752 489002611 /nfs/dbraw/zinc/00/26/11/489002611.db2.gz ZQKPTYRZJIXULU-UHFFFAOYSA-N 2 2 371.485 0.889 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000329480394 489008549 /nfs/dbraw/zinc/00/85/49/489008549.db2.gz CYCIFJAJAMCVNC-NUJGCVRESA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1C[C@@H](C)O ZINC000329480394 489008552 /nfs/dbraw/zinc/00/85/52/489008552.db2.gz CYCIFJAJAMCVNC-NUJGCVRESA-N 2 2 353.507 0.933 20 0 FCADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1C[C@@H](C)O ZINC000329480394 489008554 /nfs/dbraw/zinc/00/85/54/489008554.db2.gz CYCIFJAJAMCVNC-NUJGCVRESA-N 2 2 353.507 0.933 20 0 FCADLP COCCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000288773513 489014551 /nfs/dbraw/zinc/01/45/51/489014551.db2.gz IMGXOYKASAMOIW-UHFFFAOYSA-N 2 2 355.504 0.987 20 0 FCADLP COCCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000288773513 489014554 /nfs/dbraw/zinc/01/45/54/489014554.db2.gz IMGXOYKASAMOIW-UHFFFAOYSA-N 2 2 355.504 0.987 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)([NH+]2CCCCC2)CC1 ZINC000365024645 489030263 /nfs/dbraw/zinc/03/02/63/489030263.db2.gz CHGWNYAAYUQHGD-CABCVRRESA-N 2 2 352.479 0.086 20 0 FCADLP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000281011791 489046807 /nfs/dbraw/zinc/04/68/07/489046807.db2.gz FIXZQSGMDSBDKJ-UHFFFAOYSA-N 2 2 359.430 0.197 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278348 491230042 /nfs/dbraw/zinc/23/00/42/491230042.db2.gz AJKRPWLBTSDHKJ-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000570278348 491230043 /nfs/dbraw/zinc/23/00/43/491230043.db2.gz AJKRPWLBTSDHKJ-IRXDYDNUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000563239322 491230153 /nfs/dbraw/zinc/23/01/53/491230153.db2.gz NHNDMPJJZKTTDG-HNNXBMFYSA-N 2 2 354.495 0.204 20 0 FCADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329929927 489051737 /nfs/dbraw/zinc/05/17/37/489051737.db2.gz NXTASQMJPQEZJS-SOUVJXGZSA-N 2 2 353.442 0.122 20 0 FCADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329929927 489051738 /nfs/dbraw/zinc/05/17/38/489051738.db2.gz NXTASQMJPQEZJS-SOUVJXGZSA-N 2 2 353.442 0.122 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000563239323 491230358 /nfs/dbraw/zinc/23/03/58/491230358.db2.gz NHNDMPJJZKTTDG-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP Cc1ncoc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329988227 489058576 /nfs/dbraw/zinc/05/85/76/489058576.db2.gz GWSMNBSZNRPBPH-UHFFFAOYSA-N 2 2 363.462 0.293 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000329990835 489058937 /nfs/dbraw/zinc/05/89/37/489058937.db2.gz JIUPVMBQUKGPJY-UHFFFAOYSA-N 2 2 373.461 0.069 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394185 489071715 /nfs/dbraw/zinc/07/17/15/489071715.db2.gz QZNVMKUMYYEOCJ-SJORKVTESA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000365394185 489071716 /nfs/dbraw/zinc/07/17/16/489071716.db2.gz QZNVMKUMYYEOCJ-SJORKVTESA-N 2 2 365.522 0.806 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000289511581 489073167 /nfs/dbraw/zinc/07/31/67/489073167.db2.gz ABXPVYCHMJAEQR-ILXRZTDVSA-N 2 2 357.458 0.518 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000289511581 489073171 /nfs/dbraw/zinc/07/31/71/489073171.db2.gz ABXPVYCHMJAEQR-ILXRZTDVSA-N 2 2 357.458 0.518 20 0 FCADLP CN(CCC[N@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CC[NH+](C)C ZINC000289572006 489078546 /nfs/dbraw/zinc/07/85/46/489078546.db2.gz YNKOVMIJKCJTFG-SFHVURJKSA-N 2 2 371.547 0.939 20 0 FCADLP CN(CCC[N@@H+](C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CC[NH+](C)C ZINC000289572006 489078547 /nfs/dbraw/zinc/07/85/47/489078547.db2.gz YNKOVMIJKCJTFG-SFHVURJKSA-N 2 2 371.547 0.939 20 0 FCADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000289689060 489086601 /nfs/dbraw/zinc/08/66/01/489086601.db2.gz DXDAANWXXVBBOM-IRXDYDNUSA-N 2 2 363.458 0.765 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000289718252 489088414 /nfs/dbraw/zinc/08/84/14/489088414.db2.gz GARWIGFFNNLNJO-KGLIPLIRSA-N 2 2 369.487 0.860 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365584456 489090032 /nfs/dbraw/zinc/09/00/32/489090032.db2.gz MHCVDRLFJXUPPT-JKSUJKDBSA-N 2 2 352.479 0.092 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000365677696 489099311 /nfs/dbraw/zinc/09/93/11/489099311.db2.gz YVAOZDCJEHRYFK-CYBMUJFWSA-N 2 2 352.464 0.312 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000365677696 489099314 /nfs/dbraw/zinc/09/93/14/489099314.db2.gz YVAOZDCJEHRYFK-CYBMUJFWSA-N 2 2 352.464 0.312 20 0 FCADLP C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000281924965 489117402 /nfs/dbraw/zinc/11/74/02/489117402.db2.gz CYUKNWDGFHYWLQ-DZGCQCFKSA-N 2 2 357.462 0.790 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000570332977 491234426 /nfs/dbraw/zinc/23/44/26/491234426.db2.gz GBUBFHAAOWVBPR-MRXNPFEDSA-N 2 2 374.441 0.308 20 0 FCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000570332977 491234429 /nfs/dbraw/zinc/23/44/29/491234429.db2.gz GBUBFHAAOWVBPR-MRXNPFEDSA-N 2 2 374.441 0.308 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401941 489137080 /nfs/dbraw/zinc/13/70/80/489137080.db2.gz IRWJBWHFEUIGOG-NVXWUHKLSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401941 489137083 /nfs/dbraw/zinc/13/70/83/489137083.db2.gz IRWJBWHFEUIGOG-NVXWUHKLSA-N 2 2 371.485 0.910 20 0 FCADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000290459085 489141983 /nfs/dbraw/zinc/14/19/83/489141983.db2.gz TZMBOXGASHQIEL-IRXDYDNUSA-N 2 2 353.488 0.410 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290474159 489143148 /nfs/dbraw/zinc/14/31/48/489143148.db2.gz LXBMPNSNJCZLQV-INIZCTEOSA-N 2 2 359.474 0.577 20 0 FCADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290665088 489157250 /nfs/dbraw/zinc/15/72/50/489157250.db2.gz UUHNYKWRHFLYOZ-INIZCTEOSA-N 2 2 359.474 0.719 20 0 FCADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000290665088 489157252 /nfs/dbraw/zinc/15/72/52/489157252.db2.gz UUHNYKWRHFLYOZ-INIZCTEOSA-N 2 2 359.474 0.719 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000290665257 489157267 /nfs/dbraw/zinc/15/72/67/489157267.db2.gz UUPDSHYLPSGLCU-MRXNPFEDSA-N 2 2 371.485 0.863 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000290681990 489157751 /nfs/dbraw/zinc/15/77/51/489157751.db2.gz VPNWCOPQIUIKIX-DLBZAZTESA-N 2 2 371.485 0.721 20 0 FCADLP C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000282391892 489159768 /nfs/dbraw/zinc/15/97/68/489159768.db2.gz RDMIDYRBVOIPKJ-GOSISDBHSA-N 2 2 358.446 0.915 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@H+](C)CC1 ZINC000290760108 489163622 /nfs/dbraw/zinc/16/36/22/489163622.db2.gz ZUSLXZLAIADBSR-GDBMZVCRSA-N 2 2 357.458 0.543 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@@H+](C)CC1 ZINC000290760108 489163625 /nfs/dbraw/zinc/16/36/25/489163625.db2.gz ZUSLXZLAIADBSR-GDBMZVCRSA-N 2 2 357.458 0.543 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000563324525 491236798 /nfs/dbraw/zinc/23/67/98/491236798.db2.gz UBFZRMATHGZSTB-KRWDZBQOSA-N 2 2 369.554 0.032 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000366379791 489175178 /nfs/dbraw/zinc/17/51/78/489175178.db2.gz RHNLKVKVQZQMHR-MRXNPFEDSA-N 2 2 363.462 0.296 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000366379791 489175181 /nfs/dbraw/zinc/17/51/81/489175181.db2.gz RHNLKVKVQZQMHR-MRXNPFEDSA-N 2 2 363.462 0.296 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000291890628 489175284 /nfs/dbraw/zinc/17/52/84/489175284.db2.gz LTPZWDXANUBJDJ-UHFFFAOYSA-N 2 2 350.467 0.506 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000291890628 489175287 /nfs/dbraw/zinc/17/52/87/489175287.db2.gz LTPZWDXANUBJDJ-UHFFFAOYSA-N 2 2 350.467 0.506 20 0 FCADLP C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000570381803 491237321 /nfs/dbraw/zinc/23/73/21/491237321.db2.gz LKGIFOSWCQVFTC-CVEARBPZSA-N 2 2 361.494 0.286 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366422356 489180200 /nfs/dbraw/zinc/18/02/00/489180200.db2.gz VHLOJBKSBLTHDK-WMZOPIPTSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366422356 489180201 /nfs/dbraw/zinc/18/02/01/489180201.db2.gz VHLOJBKSBLTHDK-WMZOPIPTSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366422353 489180212 /nfs/dbraw/zinc/18/02/12/489180212.db2.gz VHLOJBKSBLTHDK-AEFFLSMTSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366422353 489180213 /nfs/dbraw/zinc/18/02/13/489180213.db2.gz VHLOJBKSBLTHDK-AEFFLSMTSA-N 2 2 352.523 0.772 20 0 FCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000570390065 491237504 /nfs/dbraw/zinc/23/75/04/491237504.db2.gz HASGAIJZAGIQLE-UCHQMPSGSA-N 2 2 357.495 0.072 20 0 FCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000570390065 491237507 /nfs/dbraw/zinc/23/75/07/491237507.db2.gz HASGAIJZAGIQLE-UCHQMPSGSA-N 2 2 357.495 0.072 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348077 491238175 /nfs/dbraw/zinc/23/81/75/491238175.db2.gz HHSPPCNCPFWMFN-YPMHNXCESA-N 2 2 352.460 0.035 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000563348077 491238176 /nfs/dbraw/zinc/23/81/76/491238176.db2.gz HHSPPCNCPFWMFN-YPMHNXCESA-N 2 2 352.460 0.035 20 0 FCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)CC1 ZINC000283054134 489210205 /nfs/dbraw/zinc/21/02/05/489210205.db2.gz JCZCYABRWTZBTO-MRXNPFEDSA-N 2 2 353.488 0.526 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331653993 489215573 /nfs/dbraw/zinc/21/55/73/489215573.db2.gz RZEOIIGKAWJHLC-BZUAXINKSA-N 2 2 351.495 0.594 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000331654355 489215580 /nfs/dbraw/zinc/21/55/80/489215580.db2.gz RZEOIIGKAWJHLC-OAGGEKHMSA-N 2 2 351.495 0.594 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297632010 489216241 /nfs/dbraw/zinc/21/62/41/489216241.db2.gz ATIRDEJAYMNGMS-HNNXBMFYSA-N 2 2 365.478 0.035 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297632010 489216244 /nfs/dbraw/zinc/21/62/44/489216244.db2.gz ATIRDEJAYMNGMS-HNNXBMFYSA-N 2 2 365.478 0.035 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000332561842 489220442 /nfs/dbraw/zinc/22/04/42/489220442.db2.gz VOPRLIAKTLMHIP-HOTGVXAUSA-N 2 2 359.474 0.671 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000332561842 489220445 /nfs/dbraw/zinc/22/04/45/489220445.db2.gz VOPRLIAKTLMHIP-HOTGVXAUSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@H]1n1cc[nH+]c1 ZINC000297700862 489225755 /nfs/dbraw/zinc/22/57/55/489225755.db2.gz FWQNYHWQOJYDQB-TWMKSMIVSA-N 2 2 359.474 0.845 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C[C@H]1n1cc[nH+]c1 ZINC000297700862 489225756 /nfs/dbraw/zinc/22/57/56/489225756.db2.gz FWQNYHWQOJYDQB-TWMKSMIVSA-N 2 2 359.474 0.845 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3nnc4c3CCCC4)CC2)CC1 ZINC000563375641 491240561 /nfs/dbraw/zinc/24/05/61/491240561.db2.gz HZGGNUSMDQQMJW-UHFFFAOYSA-N 2 2 360.506 0.832 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369356841 489230356 /nfs/dbraw/zinc/23/03/56/489230356.db2.gz ZADGKGKRSAREJA-HZPDHXFCSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356841 489230358 /nfs/dbraw/zinc/23/03/58/489230358.db2.gz ZADGKGKRSAREJA-HZPDHXFCSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369356842 489230413 /nfs/dbraw/zinc/23/04/13/489230413.db2.gz ZADGKGKRSAREJA-JKSUJKDBSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356842 489230416 /nfs/dbraw/zinc/23/04/16/489230416.db2.gz ZADGKGKRSAREJA-JKSUJKDBSA-N 2 2 353.511 0.569 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369139 489231314 /nfs/dbraw/zinc/23/13/14/489231314.db2.gz FLQFLTXVAHBQBU-HOCLYGCPSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000369369139 489231318 /nfs/dbraw/zinc/23/13/18/489231318.db2.gz FLQFLTXVAHBQBU-HOCLYGCPSA-N 2 2 351.495 0.463 20 0 FCADLP CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369368497 489231500 /nfs/dbraw/zinc/23/15/00/489231500.db2.gz CYXXCWZAGDSSIV-HOCLYGCPSA-N 2 2 351.495 0.321 20 0 FCADLP CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369368497 489231503 /nfs/dbraw/zinc/23/15/03/489231503.db2.gz CYXXCWZAGDSSIV-HOCLYGCPSA-N 2 2 351.495 0.321 20 0 FCADLP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1 ZINC000332853804 489239043 /nfs/dbraw/zinc/23/90/43/489239043.db2.gz CNFXXFJXBQRNTC-JKSUJKDBSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000297805833 489243701 /nfs/dbraw/zinc/24/37/01/489243701.db2.gz PBVPKNWEHDMPNC-QGZVFWFLSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000297805833 489243704 /nfs/dbraw/zinc/24/37/04/489243704.db2.gz PBVPKNWEHDMPNC-QGZVFWFLSA-N 2 2 358.486 0.883 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCOC[C@H]3CCOC3)C2)CC1 ZINC000369585135 489255149 /nfs/dbraw/zinc/25/51/49/489255149.db2.gz QOYGMLUWMKXKKM-IAGOWNOFSA-N 2 2 368.522 0.897 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCOC[C@H]3CCOC3)C2)CC1 ZINC000369585135 489255150 /nfs/dbraw/zinc/25/51/50/489255150.db2.gz QOYGMLUWMKXKKM-IAGOWNOFSA-N 2 2 368.522 0.897 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000297886605 489257469 /nfs/dbraw/zinc/25/74/69/489257469.db2.gz OXRDLZCIINUNJQ-MRXNPFEDSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@@H+]1C ZINC000333208192 489258687 /nfs/dbraw/zinc/25/86/87/489258687.db2.gz BBMLYUCPIHTCMM-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3nccc(N)n3)C2)CC[N@H+]1C ZINC000333208192 489258689 /nfs/dbraw/zinc/25/86/89/489258689.db2.gz BBMLYUCPIHTCMM-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208192 489258692 /nfs/dbraw/zinc/25/86/92/489258692.db2.gz BBMLYUCPIHTCMM-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)CC[NH+]1C ZINC000333208192 489258694 /nfs/dbraw/zinc/25/86/94/489258694.db2.gz BBMLYUCPIHTCMM-QLFBSQMISA-N 2 2 361.494 0.757 20 0 FCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000334009785 489266481 /nfs/dbraw/zinc/26/64/81/489266481.db2.gz VJQLTYWYMHZLAB-XWTMOSNGSA-N 2 2 366.506 0.527 20 0 FCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000334009785 489266482 /nfs/dbraw/zinc/26/64/82/489266482.db2.gz VJQLTYWYMHZLAB-XWTMOSNGSA-N 2 2 366.506 0.527 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000297955833 489268464 /nfs/dbraw/zinc/26/84/64/489268464.db2.gz VFSCEQLEWSMDGD-HOTGVXAUSA-N 2 2 357.458 0.283 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000297955833 489268468 /nfs/dbraw/zinc/26/84/68/489268468.db2.gz VFSCEQLEWSMDGD-HOTGVXAUSA-N 2 2 357.458 0.283 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C2 ZINC000570476520 491243431 /nfs/dbraw/zinc/24/34/31/491243431.db2.gz OYHIBVVDBJBRQC-OCCSQVGLSA-N 2 2 352.504 0.595 20 0 FCADLP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000283553872 489274302 /nfs/dbraw/zinc/27/43/02/489274302.db2.gz LMGFSEFYPHTQKH-UHFFFAOYSA-N 2 2 365.478 0.349 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283608304 489280752 /nfs/dbraw/zinc/28/07/52/489280752.db2.gz PWVFJHPXPXJSIX-KRWDZBQOSA-N 2 2 355.442 0.780 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283608304 489280755 /nfs/dbraw/zinc/28/07/55/489280755.db2.gz PWVFJHPXPXJSIX-KRWDZBQOSA-N 2 2 355.442 0.780 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000555328607 491246419 /nfs/dbraw/zinc/24/64/19/491246419.db2.gz XMMYPUAYNARUPC-UWVAXJGDSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000555328607 491246421 /nfs/dbraw/zinc/24/64/21/491246421.db2.gz XMMYPUAYNARUPC-UWVAXJGDSA-N 2 2 374.485 0.999 20 0 FCADLP CC(C)OC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000369963489 489297677 /nfs/dbraw/zinc/29/76/77/489297677.db2.gz FZHJXQYZBSYBNM-KRWDZBQOSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284243590 489304615 /nfs/dbraw/zinc/30/46/15/489304615.db2.gz YVJJXHNDLXPALM-NVXWUHKLSA-N 2 2 362.474 0.242 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000285867727 489328241 /nfs/dbraw/zinc/32/82/41/489328241.db2.gz KTLSQHNTXVNBIH-CABCVRRESA-N 2 2 363.462 0.548 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000298533289 489335585 /nfs/dbraw/zinc/33/55/85/489335585.db2.gz YFOOYJOEPZXBKW-UHFFFAOYSA-N 2 2 355.442 0.872 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370282609 489339441 /nfs/dbraw/zinc/33/94/41/489339441.db2.gz XMXLCJQISQWQMW-HLLBOEOZSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370282609 489339442 /nfs/dbraw/zinc/33/94/42/489339442.db2.gz XMXLCJQISQWQMW-HLLBOEOZSA-N 2 2 354.495 0.648 20 0 FCADLP CC1CC[NH+](Cc2nc(CC(=O)NCC[NH+]3CCOCC3)no2)CC1 ZINC000350685830 489344958 /nfs/dbraw/zinc/34/49/58/489344958.db2.gz OMIXGBJBJSIBIQ-UHFFFAOYSA-N 2 2 351.451 0.292 20 0 FCADLP O=C1CNC(=O)N1CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286041661 489349613 /nfs/dbraw/zinc/34/96/13/489349613.db2.gz QTSFZJRFAZTJBF-SFHVURJKSA-N 2 2 371.485 0.430 20 0 FCADLP O=C1CNC(=O)N1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286041661 489349616 /nfs/dbraw/zinc/34/96/16/489349616.db2.gz QTSFZJRFAZTJBF-SFHVURJKSA-N 2 2 371.485 0.430 20 0 FCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000298703442 489354886 /nfs/dbraw/zinc/35/48/86/489354886.db2.gz FMSWAUZQBMDZAM-AWEZNQCLSA-N 2 2 351.472 0.887 20 0 FCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000298703442 489354887 /nfs/dbraw/zinc/35/48/87/489354887.db2.gz FMSWAUZQBMDZAM-AWEZNQCLSA-N 2 2 351.472 0.887 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286152006 489361393 /nfs/dbraw/zinc/36/13/93/489361393.db2.gz VYVWVXOAQQQITL-AEFFLSMTSA-N 2 2 373.501 0.723 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286152006 489361395 /nfs/dbraw/zinc/36/13/95/489361395.db2.gz VYVWVXOAQQQITL-AEFFLSMTSA-N 2 2 373.501 0.723 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000563462657 491250019 /nfs/dbraw/zinc/25/00/19/491250019.db2.gz NYGDKWHXVLFTTE-HNNXBMFYSA-N 2 2 370.457 0.564 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000563477884 491250361 /nfs/dbraw/zinc/25/03/61/491250361.db2.gz ROOBREKXMZOVKR-XJKSGUPXSA-N 2 2 360.462 0.589 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000570567886 491250434 /nfs/dbraw/zinc/25/04/34/491250434.db2.gz ZELLWTSUYLMBJJ-QGZVFWFLSA-N 2 2 355.442 1.041 20 0 FCADLP COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532290 489371832 /nfs/dbraw/zinc/37/18/32/489371832.db2.gz YBPKYLZETBXWGT-RDTXWAMCSA-N 2 2 352.479 0.750 20 0 FCADLP COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370532290 489371834 /nfs/dbraw/zinc/37/18/34/489371834.db2.gz YBPKYLZETBXWGT-RDTXWAMCSA-N 2 2 352.479 0.750 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298881194 489377632 /nfs/dbraw/zinc/37/76/32/489377632.db2.gz KDDMDTSIKCZZBV-CQSZACIVSA-N 2 2 371.441 0.985 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298881194 489377635 /nfs/dbraw/zinc/37/76/35/489377635.db2.gz KDDMDTSIKCZZBV-CQSZACIVSA-N 2 2 371.441 0.985 20 0 FCADLP CCc1cnc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000370655578 489386311 /nfs/dbraw/zinc/38/63/11/489386311.db2.gz GSKUQIJGMFITSO-GFCCVEGCSA-N 2 2 365.503 0.929 20 0 FCADLP CCc1cnc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000370655578 489386313 /nfs/dbraw/zinc/38/63/13/489386313.db2.gz GSKUQIJGMFITSO-GFCCVEGCSA-N 2 2 365.503 0.929 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000286659830 489414414 /nfs/dbraw/zinc/41/44/14/489414414.db2.gz LYSOAEBNTJIRAK-GDBMZVCRSA-N 2 2 355.442 0.816 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000286659830 489414416 /nfs/dbraw/zinc/41/44/16/489414416.db2.gz LYSOAEBNTJIRAK-GDBMZVCRSA-N 2 2 355.442 0.816 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000299271859 489426947 /nfs/dbraw/zinc/42/69/47/489426947.db2.gz XAYHAFISJAZTQL-UHFFFAOYSA-N 2 2 362.474 0.855 20 0 FCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000563621082 491258728 /nfs/dbraw/zinc/25/87/28/491258728.db2.gz SKYSHTPBQIAKEU-NSHDSACASA-N 2 2 361.368 0.662 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000363386650 489460727 /nfs/dbraw/zinc/46/07/27/489460727.db2.gz SKCUKCPEOZZNIM-CALCHBBNSA-N 2 2 368.522 0.849 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000363386650 489460730 /nfs/dbraw/zinc/46/07/30/489460730.db2.gz SKCUKCPEOZZNIM-CALCHBBNSA-N 2 2 368.522 0.849 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCC(=O)NC3CC3)C2)CC1 ZINC000363407887 489463583 /nfs/dbraw/zinc/46/35/83/489463583.db2.gz HXTJHBUIVUHSFI-HNNXBMFYSA-N 2 2 351.495 0.513 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCC(=O)NC3CC3)C2)CC1 ZINC000363407887 489463587 /nfs/dbraw/zinc/46/35/87/489463587.db2.gz HXTJHBUIVUHSFI-HNNXBMFYSA-N 2 2 351.495 0.513 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000371299351 489475405 /nfs/dbraw/zinc/47/54/05/489475405.db2.gz FZPRPLRQUUCSHQ-VSZNYVQBSA-N 2 2 366.506 0.297 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000371299351 489475408 /nfs/dbraw/zinc/47/54/08/489475408.db2.gz FZPRPLRQUUCSHQ-VSZNYVQBSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@H]1C[NH3+] ZINC000563581499 491256090 /nfs/dbraw/zinc/25/60/90/491256090.db2.gz KEZLXHRRGBJNNN-NVXWUHKLSA-N 2 2 365.522 0.557 20 0 FCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000371426496 489484071 /nfs/dbraw/zinc/48/40/71/489484071.db2.gz XVOHDUOALZOFJB-QGZVFWFLSA-N 2 2 362.474 0.315 20 0 FCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000371426496 489484073 /nfs/dbraw/zinc/48/40/73/489484073.db2.gz XVOHDUOALZOFJB-QGZVFWFLSA-N 2 2 362.474 0.315 20 0 FCADLP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469812 489485333 /nfs/dbraw/zinc/48/53/33/489485333.db2.gz GSGNADJVDFAJGO-GBESFXJTSA-N 3 2 374.533 0.912 20 0 FCADLP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000371469812 489485334 /nfs/dbraw/zinc/48/53/34/489485334.db2.gz GSGNADJVDFAJGO-GBESFXJTSA-N 3 2 374.533 0.912 20 0 FCADLP CN(C)c1ncc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1C ZINC000414326861 489496119 /nfs/dbraw/zinc/49/61/19/489496119.db2.gz YLMCRSAIGXETSM-UHFFFAOYSA-N 2 2 371.489 0.710 20 0 FCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000414360051 489497714 /nfs/dbraw/zinc/49/77/14/489497714.db2.gz MGYBFFINDNEFSN-UHFFFAOYSA-N 2 2 357.505 0.924 20 0 FCADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414360324 489497975 /nfs/dbraw/zinc/49/79/75/489497975.db2.gz MYDWPPKPWWZOFX-KRWDZBQOSA-N 2 2 359.474 0.950 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697386 489499057 /nfs/dbraw/zinc/49/90/57/489499057.db2.gz VUYSYAWAQKNRMW-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371697386 489499059 /nfs/dbraw/zinc/49/90/59/489499059.db2.gz VUYSYAWAQKNRMW-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000555660996 491263279 /nfs/dbraw/zinc/26/32/79/491263279.db2.gz WWZVPZBFEXOBTM-UHFFFAOYSA-N 2 2 356.511 0.448 20 0 FCADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC000423220607 489504819 /nfs/dbraw/zinc/50/48/19/489504819.db2.gz YKGGHGIGYXEYNY-LSDHHAIUSA-N 2 2 360.458 0.733 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423256782 489507740 /nfs/dbraw/zinc/50/77/40/489507740.db2.gz FYSRVSZJNJTBOQ-HNNXBMFYSA-N 2 2 360.458 0.332 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423295008 489512617 /nfs/dbraw/zinc/51/26/17/489512617.db2.gz DDYKWCBOCIEWRR-AEFFLSMTSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000423295008 489512620 /nfs/dbraw/zinc/51/26/20/489512620.db2.gz DDYKWCBOCIEWRR-AEFFLSMTSA-N 2 2 358.486 0.787 20 0 FCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000415373686 489515990 /nfs/dbraw/zinc/51/59/90/489515990.db2.gz JGFMTHDKMYIEDB-INIZCTEOSA-N 2 2 360.458 0.668 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563644627 491260497 /nfs/dbraw/zinc/26/04/97/491260497.db2.gz JGTICWGNSUQWDQ-QGZVFWFLSA-N 2 2 361.490 0.024 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371966280 489529342 /nfs/dbraw/zinc/52/93/42/489529342.db2.gz KXGUHXMSHPWKDU-KYJSFNMBSA-N 2 2 368.547 0.976 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371966280 489529344 /nfs/dbraw/zinc/52/93/44/489529344.db2.gz KXGUHXMSHPWKDU-KYJSFNMBSA-N 2 2 368.547 0.976 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426370364 489564133 /nfs/dbraw/zinc/56/41/33/489564133.db2.gz HZDRDPGEFSAJHB-OAHLLOKOSA-N 2 2 353.511 0.698 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000426370364 489564135 /nfs/dbraw/zinc/56/41/35/489564135.db2.gz HZDRDPGEFSAJHB-OAHLLOKOSA-N 2 2 353.511 0.698 20 0 FCADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668664 491263895 /nfs/dbraw/zinc/26/38/95/491263895.db2.gz WXTZIPYSRHYSKY-UHFFFAOYSA-N 2 2 354.495 0.158 20 0 FCADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427044247 489591766 /nfs/dbraw/zinc/59/17/66/489591766.db2.gz LTBBSDXZCCTSRP-HNNXBMFYSA-N 2 2 371.441 0.893 20 0 FCADLP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427048482 489592426 /nfs/dbraw/zinc/59/24/26/489592426.db2.gz FZDNXISINJVWGE-HNNXBMFYSA-N 2 2 371.441 0.893 20 0 FCADLP CN(C(=O)CC1(CS(C)(=O)=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372715998 489628314 /nfs/dbraw/zinc/62/83/14/489628314.db2.gz OCJIJTUKWBBGFS-INIZCTEOSA-N 2 2 371.547 0.828 20 0 FCADLP CN(C(=O)CC1(CS(C)(=O)=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372715998 489628316 /nfs/dbraw/zinc/62/83/16/489628316.db2.gz OCJIJTUKWBBGFS-INIZCTEOSA-N 2 2 371.547 0.828 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032080 489633680 /nfs/dbraw/zinc/63/36/80/489633680.db2.gz MSEXHTMJRGHJKG-TZMCWYRMSA-N 2 2 360.414 0.790 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032080 489633684 /nfs/dbraw/zinc/63/36/84/489633684.db2.gz MSEXHTMJRGHJKG-TZMCWYRMSA-N 2 2 360.414 0.790 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038747 489634153 /nfs/dbraw/zinc/63/41/53/489634153.db2.gz ARYMZSYKJDYBMB-LSDHHAIUSA-N 2 2 362.499 0.716 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(C(=O)c2cccs2)CC1 ZINC000428038747 489634157 /nfs/dbraw/zinc/63/41/57/489634157.db2.gz ARYMZSYKJDYBMB-LSDHHAIUSA-N 2 2 362.499 0.716 20 0 FCADLP CC[C@@H]1CN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000372823644 489640146 /nfs/dbraw/zinc/64/01/46/489640146.db2.gz JBQKHUAQLYQPBI-NUJGCVRESA-N 2 2 361.490 0.990 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+](C)C1 ZINC000417112016 489641594 /nfs/dbraw/zinc/64/15/94/489641594.db2.gz IQGPVVBIZHUWKB-HNNXBMFYSA-N 2 2 372.429 0.895 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+](C)C1 ZINC000417112016 489641596 /nfs/dbraw/zinc/64/15/96/489641596.db2.gz IQGPVVBIZHUWKB-HNNXBMFYSA-N 2 2 372.429 0.895 20 0 FCADLP [NH3+]C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000417155510 489643846 /nfs/dbraw/zinc/64/38/46/489643846.db2.gz LHUWFAXPOJFUIC-INIZCTEOSA-N 2 2 361.494 0.415 20 0 FCADLP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000417155511 489643860 /nfs/dbraw/zinc/64/38/60/489643860.db2.gz LHUWFAXPOJFUIC-MRXNPFEDSA-N 2 2 361.494 0.415 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417164594 489643862 /nfs/dbraw/zinc/64/38/62/489643862.db2.gz WNNNFPKZKKOEHH-UHFFFAOYSA-N 2 2 359.478 0.208 20 0 FCADLP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000417257259 489645613 /nfs/dbraw/zinc/64/56/13/489645613.db2.gz HMRBJASPGXKNAU-WBVHZDCISA-N 2 2 356.536 0.965 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417362039 489649449 /nfs/dbraw/zinc/64/94/49/489649449.db2.gz DGTLESWUJSBUFS-HNNXBMFYSA-N 2 2 362.478 0.275 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417367151 489649926 /nfs/dbraw/zinc/64/99/26/489649926.db2.gz LNRMZXBQQFEGBG-JKSUJKDBSA-N 2 2 374.489 0.547 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC000457599149 489650679 /nfs/dbraw/zinc/65/06/79/489650679.db2.gz APNJGCKMPNQYND-UHFFFAOYSA-N 2 2 360.462 0.997 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457599272 489650773 /nfs/dbraw/zinc/65/07/73/489650773.db2.gz MBRQMANHTGMDRV-KSZLIROESA-N 2 2 370.538 0.830 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000457599272 489650775 /nfs/dbraw/zinc/65/07/75/489650775.db2.gz MBRQMANHTGMDRV-KSZLIROESA-N 2 2 370.538 0.830 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000457629970 489652822 /nfs/dbraw/zinc/65/28/22/489652822.db2.gz CBMSYMLIOSUKCT-IYBDPMFKSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000457629970 489652825 /nfs/dbraw/zinc/65/28/25/489652825.db2.gz CBMSYMLIOSUKCT-IYBDPMFKSA-N 2 2 355.527 0.109 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000555733952 491269008 /nfs/dbraw/zinc/26/90/08/491269008.db2.gz AOODAVZUPCTQOM-INIZCTEOSA-N 2 2 354.495 0.062 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000555733952 491269009 /nfs/dbraw/zinc/26/90/09/491269009.db2.gz AOODAVZUPCTQOM-INIZCTEOSA-N 2 2 354.495 0.062 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417511453 489656901 /nfs/dbraw/zinc/65/69/01/489656901.db2.gz UDUUMBMYPGRMBE-OAHLLOKOSA-N 2 2 369.510 0.126 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417511453 489656905 /nfs/dbraw/zinc/65/69/05/489656905.db2.gz UDUUMBMYPGRMBE-OAHLLOKOSA-N 2 2 369.510 0.126 20 0 FCADLP CC[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000417621225 489660185 /nfs/dbraw/zinc/66/01/85/489660185.db2.gz HATNIDHROBLBOZ-MRXNPFEDSA-N 2 2 353.511 0.747 20 0 FCADLP C[C@@H]1[C@H](C)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000417720778 489662795 /nfs/dbraw/zinc/66/27/95/489662795.db2.gz XUVDFYCNVRZOHZ-OAGGEKHMSA-N 2 2 352.523 0.974 20 0 FCADLP C[C@@H]1[C@H](C)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H]1C ZINC000417720778 489662797 /nfs/dbraw/zinc/66/27/97/489662797.db2.gz XUVDFYCNVRZOHZ-OAGGEKHMSA-N 2 2 352.523 0.974 20 0 FCADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000563809167 491270598 /nfs/dbraw/zinc/27/05/98/491270598.db2.gz PAMFSMZYKSKULB-OAHLLOKOSA-N 2 2 361.471 0.751 20 0 FCADLP CCOC1CC(CNC(=O)NCCC[NH2+]C2CC2)([NH+]2CCOCC2)C1 ZINC000418082922 489678049 /nfs/dbraw/zinc/67/80/49/489678049.db2.gz KMGWZXPRXIZHDF-UHFFFAOYSA-N 2 2 354.495 0.698 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000570865711 491270729 /nfs/dbraw/zinc/27/07/29/491270729.db2.gz BLLAENYUWAKJGG-ZBFHGGJFSA-N 2 2 357.414 0.628 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418388984 489695554 /nfs/dbraw/zinc/69/55/54/489695554.db2.gz SWJPFPGSAIHQEE-RHSMWYFYSA-N 2 2 365.522 0.888 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418424148 489697499 /nfs/dbraw/zinc/69/74/99/489697499.db2.gz GJLNRSWVJOYVCE-JKSUJKDBSA-N 2 2 353.511 0.698 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000429708521 489697847 /nfs/dbraw/zinc/69/78/47/489697847.db2.gz KMDQXUKMUWLTOC-SFHVURJKSA-N 2 2 352.523 0.727 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000429708521 489697850 /nfs/dbraw/zinc/69/78/50/489697850.db2.gz KMDQXUKMUWLTOC-SFHVURJKSA-N 2 2 352.523 0.727 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000555774691 491272356 /nfs/dbraw/zinc/27/23/56/491272356.db2.gz FYOOZBBVIFXJJX-IBGZPJMESA-N 2 2 361.486 0.982 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](O)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000555774691 491272358 /nfs/dbraw/zinc/27/23/58/491272358.db2.gz FYOOZBBVIFXJJX-IBGZPJMESA-N 2 2 361.486 0.982 20 0 FCADLP NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000429918132 489709010 /nfs/dbraw/zinc/70/90/10/489709010.db2.gz PFMSRMDKDYPMPR-NUJGCVRESA-N 2 2 369.469 0.962 20 0 FCADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000418668360 489717359 /nfs/dbraw/zinc/71/73/59/489717359.db2.gz GKEOGIGPRBRZIC-HOTGVXAUSA-N 2 2 353.511 0.842 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418731858 489720121 /nfs/dbraw/zinc/72/01/21/489720121.db2.gz TZSPUEVPYPVULE-CVEARBPZSA-N 2 2 353.511 0.700 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000555804401 491273998 /nfs/dbraw/zinc/27/39/98/491273998.db2.gz VWZMRDQNOIYJQV-HUUCEWRRSA-N 2 2 368.522 0.543 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000555804401 491273999 /nfs/dbraw/zinc/27/39/99/491273999.db2.gz VWZMRDQNOIYJQV-HUUCEWRRSA-N 2 2 368.522 0.543 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCO1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418762427 489723656 /nfs/dbraw/zinc/72/36/56/489723656.db2.gz IRTXWWMRZYJVFR-KURKYZTESA-N 2 2 360.458 0.270 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCO1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418762427 489723663 /nfs/dbraw/zinc/72/36/63/489723663.db2.gz IRTXWWMRZYJVFR-KURKYZTESA-N 2 2 360.458 0.270 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000430222240 489725002 /nfs/dbraw/zinc/72/50/02/489725002.db2.gz UXLZQEOOPCURIK-CQSZACIVSA-N 2 2 353.492 0.095 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000430222240 489725006 /nfs/dbraw/zinc/72/50/06/489725006.db2.gz UXLZQEOOPCURIK-CQSZACIVSA-N 2 2 353.492 0.095 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCOc1ccc(F)cc1 ZINC000489800502 489728554 /nfs/dbraw/zinc/72/85/54/489728554.db2.gz NDNSPSYTEBUXLK-INIZCTEOSA-N 2 2 350.438 0.300 20 0 FCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489821773 489730440 /nfs/dbraw/zinc/73/04/40/489730440.db2.gz AORKBBXCGAJVTR-SQNIBIBYSA-N 2 2 352.523 0.677 20 0 FCADLP CCCCNc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000376397133 489734093 /nfs/dbraw/zinc/73/40/93/489734093.db2.gz QWOVZUQFFSANPG-UHFFFAOYSA-N 2 2 364.494 0.934 20 0 FCADLP CCCCNc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)[nH+]c(N)n1 ZINC000376397133 489734096 /nfs/dbraw/zinc/73/40/96/489734096.db2.gz QWOVZUQFFSANPG-UHFFFAOYSA-N 2 2 364.494 0.934 20 0 FCADLP O=C(NCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376451242 489736165 /nfs/dbraw/zinc/73/61/65/489736165.db2.gz VOAWZNJLRGJIPN-HUUCEWRRSA-N 2 2 370.457 0.527 20 0 FCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489959322 489737949 /nfs/dbraw/zinc/73/79/49/489737949.db2.gz UZQLUFGSDRSGDW-PMPSAXMXSA-N 2 2 351.495 0.370 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899275 491276020 /nfs/dbraw/zinc/27/60/20/491276020.db2.gz SEFQWDNJLOJLJQ-MOPGFXCFSA-N 2 2 370.497 0.712 20 0 FCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899275 491276021 /nfs/dbraw/zinc/27/60/21/491276021.db2.gz SEFQWDNJLOJLJQ-MOPGFXCFSA-N 2 2 370.497 0.712 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899277 491276044 /nfs/dbraw/zinc/27/60/44/491276044.db2.gz SEFQWDNJLOJLJQ-RBUKOAKNSA-N 2 2 370.497 0.712 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)CCN2C1=O ZINC000563899277 491276045 /nfs/dbraw/zinc/27/60/45/491276045.db2.gz SEFQWDNJLOJLJQ-RBUKOAKNSA-N 2 2 370.497 0.712 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000430560241 489746166 /nfs/dbraw/zinc/74/61/66/489746166.db2.gz GIPOKVXFGWRICG-INIZCTEOSA-N 2 2 369.554 0.351 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000430560241 489746169 /nfs/dbraw/zinc/74/61/69/489746169.db2.gz GIPOKVXFGWRICG-INIZCTEOSA-N 2 2 369.554 0.351 20 0 FCADLP [NH3+]C[C@@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000430564133 489746306 /nfs/dbraw/zinc/74/63/06/489746306.db2.gz ASHLGKKIMAMMRQ-SFHVURJKSA-N 2 2 358.486 0.689 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430560963 489746347 /nfs/dbraw/zinc/74/63/47/489746347.db2.gz JGNDCBUAZROKAG-SGTLLEGYSA-N 2 2 350.438 0.836 20 0 FCADLP CCN1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474211969 489746716 /nfs/dbraw/zinc/74/67/16/489746716.db2.gz ODHODSHUXXUGFE-INIZCTEOSA-N 2 2 364.494 0.910 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835526 489746673 /nfs/dbraw/zinc/74/66/73/489746673.db2.gz PWNFFKCXEYLOPX-ZWKOTPCHSA-N 2 2 374.485 0.072 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835526 489746676 /nfs/dbraw/zinc/74/66/76/489746676.db2.gz PWNFFKCXEYLOPX-ZWKOTPCHSA-N 2 2 374.485 0.072 20 0 FCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000430573112 489746922 /nfs/dbraw/zinc/74/69/22/489746922.db2.gz PUTNCMGMMKIYPJ-SJKOYZFVSA-N 2 2 368.503 0.575 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000430575445 489747492 /nfs/dbraw/zinc/74/74/92/489747492.db2.gz LCELWXQZXDGHCV-SFHVURJKSA-N 2 2 355.527 0.008 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418837382 489748156 /nfs/dbraw/zinc/74/81/56/489748156.db2.gz SQACGOXKHFFNAF-YLJYHZDGSA-N 2 2 374.485 0.201 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418837382 489748161 /nfs/dbraw/zinc/74/81/61/489748161.db2.gz SQACGOXKHFFNAF-YLJYHZDGSA-N 2 2 374.485 0.201 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000418836530 489748270 /nfs/dbraw/zinc/74/82/70/489748270.db2.gz RKFSMNTVNIBIDT-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000418836530 489748273 /nfs/dbraw/zinc/74/82/73/489748273.db2.gz RKFSMNTVNIBIDT-MSOLQXFVSA-N 2 2 374.485 0.262 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430576986 489748701 /nfs/dbraw/zinc/74/87/01/489748701.db2.gz NKRNNHCQNDDBCC-HUUCEWRRSA-N 2 2 362.474 0.963 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430576986 489748706 /nfs/dbraw/zinc/74/87/06/489748706.db2.gz NKRNNHCQNDDBCC-HUUCEWRRSA-N 2 2 362.474 0.963 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+])S(C)(=O)=O ZINC000430596126 489749162 /nfs/dbraw/zinc/74/91/62/489749162.db2.gz ZEVKFZNOIRIAMW-UHFFFAOYSA-N 2 2 350.529 0.079 20 0 FCADLP CC(C)N(CCCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])S(C)(=O)=O ZINC000430596126 489749168 /nfs/dbraw/zinc/74/91/68/489749168.db2.gz ZEVKFZNOIRIAMW-UHFFFAOYSA-N 2 2 350.529 0.079 20 0 FCADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430592813 489749510 /nfs/dbraw/zinc/74/95/10/489749510.db2.gz IAANHDZCXAUQRV-DIFFPNOSSA-N 2 2 366.487 0.329 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000418840920 489750925 /nfs/dbraw/zinc/75/09/25/489750925.db2.gz YMKTVPQFHRAXMR-NXHRZFHOSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000418840920 489750932 /nfs/dbraw/zinc/75/09/32/489750932.db2.gz YMKTVPQFHRAXMR-NXHRZFHOSA-N 2 2 374.485 0.199 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430602612 489751218 /nfs/dbraw/zinc/75/12/18/489751218.db2.gz WWDGBVAPAGSXHX-HNNXBMFYSA-N 2 2 369.487 0.509 20 0 FCADLP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000430602612 489751223 /nfs/dbraw/zinc/75/12/23/489751223.db2.gz WWDGBVAPAGSXHX-HNNXBMFYSA-N 2 2 369.487 0.509 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000418840918 489751439 /nfs/dbraw/zinc/75/14/39/489751439.db2.gz YMKTVPQFHRAXMR-KBAYOESNSA-N 2 2 374.485 0.199 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@H]1[NH3+] ZINC000418840918 489751440 /nfs/dbraw/zinc/75/14/40/489751440.db2.gz YMKTVPQFHRAXMR-KBAYOESNSA-N 2 2 374.485 0.199 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)[nH+]c2c1 ZINC000418843874 489752205 /nfs/dbraw/zinc/75/22/05/489752205.db2.gz IYQJUVKZUJASIV-UHFFFAOYSA-N 2 2 355.442 0.861 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000459822784 489760008 /nfs/dbraw/zinc/76/00/08/489760008.db2.gz URWOUKNINLFOSG-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000459822784 489760013 /nfs/dbraw/zinc/76/00/13/489760013.db2.gz URWOUKNINLFOSG-GASCZTMLSA-N 2 2 354.495 0.107 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000459823762 489760258 /nfs/dbraw/zinc/76/02/58/489760258.db2.gz VRKBNJQKOLDQST-UHFFFAOYSA-N 2 2 366.506 0.254 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000555855147 491277186 /nfs/dbraw/zinc/27/71/86/491277186.db2.gz QEMFFVACDFPPNF-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000555855147 491277187 /nfs/dbraw/zinc/27/71/87/491277187.db2.gz QEMFFVACDFPPNF-IAGOWNOFSA-N 2 2 368.522 0.260 20 0 FCADLP CCCCN(CCO)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459825061 489760951 /nfs/dbraw/zinc/76/09/51/489760951.db2.gz UJXLXEYHJDAAQN-UHFFFAOYSA-N 2 2 356.511 0.092 20 0 FCADLP CCCCN(CCO)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459825061 489760955 /nfs/dbraw/zinc/76/09/55/489760955.db2.gz UJXLXEYHJDAAQN-UHFFFAOYSA-N 2 2 356.511 0.092 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555855105 491277198 /nfs/dbraw/zinc/27/71/98/491277198.db2.gz OYSPSCVRJQKEHB-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430643619 489761594 /nfs/dbraw/zinc/76/15/94/489761594.db2.gz XPAWYMZKXREFHL-CYBMUJFWSA-N 2 2 350.438 0.803 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000430643619 489761599 /nfs/dbraw/zinc/76/15/99/489761599.db2.gz XPAWYMZKXREFHL-CYBMUJFWSA-N 2 2 350.438 0.803 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647523 489761797 /nfs/dbraw/zinc/76/17/97/489761797.db2.gz QFXOVYIFAMBJJI-UONOGXRCSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430647523 489761800 /nfs/dbraw/zinc/76/18/00/489761800.db2.gz QFXOVYIFAMBJJI-UONOGXRCSA-N 2 2 350.438 0.790 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000555857305 491277365 /nfs/dbraw/zinc/27/73/65/491277365.db2.gz HADPVZJDOAKQMW-SJORKVTESA-N 2 2 366.506 0.156 20 0 FCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430698016 489765766 /nfs/dbraw/zinc/76/57/66/489765766.db2.gz FAQMRNIAIMQHAC-UHFFFAOYSA-N 2 2 355.446 0.996 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430729908 489767403 /nfs/dbraw/zinc/76/74/03/489767403.db2.gz PQNIMXLOLHYBLR-DLBZAZTESA-N 2 2 350.507 0.955 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000459852456 489768295 /nfs/dbraw/zinc/76/82/95/489768295.db2.gz BLSIULUCOABEDH-MOPGFXCFSA-N 2 2 370.497 0.802 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000459852456 489768296 /nfs/dbraw/zinc/76/82/96/489768296.db2.gz BLSIULUCOABEDH-MOPGFXCFSA-N 2 2 370.497 0.802 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000430796853 489771644 /nfs/dbraw/zinc/77/16/44/489771644.db2.gz LYXJJCIBXOPTSZ-KRWDZBQOSA-N 2 2 370.457 0.900 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]21 ZINC000459869882 489775820 /nfs/dbraw/zinc/77/58/20/489775820.db2.gz VNPREHHCXDMUEQ-ZBFHGGJFSA-N 2 2 362.499 0.555 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]21 ZINC000459869882 489775823 /nfs/dbraw/zinc/77/58/23/489775823.db2.gz VNPREHHCXDMUEQ-ZBFHGGJFSA-N 2 2 362.499 0.555 20 0 FCADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000418886357 489775872 /nfs/dbraw/zinc/77/58/72/489775872.db2.gz KWMGSUWUKBBQHZ-IRXDYDNUSA-N 2 2 371.441 0.270 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)c1 ZINC000430910719 489776473 /nfs/dbraw/zinc/77/64/73/489776473.db2.gz XEYJFCJQYRCSOY-HNNXBMFYSA-N 2 2 360.458 0.332 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418889312 489777320 /nfs/dbraw/zinc/77/73/20/489777320.db2.gz AVEDXMSHJVMPCK-MRXNPFEDSA-N 2 2 355.442 0.941 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000459875312 489777575 /nfs/dbraw/zinc/77/75/75/489777575.db2.gz ZNKDNJMDKJVHLM-KRWDZBQOSA-N 2 2 360.458 0.862 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1C ZINC000430930499 489778381 /nfs/dbraw/zinc/77/83/81/489778381.db2.gz SXLRVOKROWRSRI-JSGCOSHPSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1C ZINC000430930499 489778385 /nfs/dbraw/zinc/77/83/85/489778385.db2.gz SXLRVOKROWRSRI-JSGCOSHPSA-N 2 2 354.476 0.511 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000430936084 489779666 /nfs/dbraw/zinc/77/96/66/489779666.db2.gz WXYQULCCEPFRNE-GOEBONIOSA-N 2 2 359.536 0.717 20 0 FCADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000459886746 489781846 /nfs/dbraw/zinc/78/18/46/489781846.db2.gz POIYXRPGLKDICC-UHFFFAOYSA-N 2 2 372.513 0.928 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430968801 489782861 /nfs/dbraw/zinc/78/28/61/489782861.db2.gz XKSDAPVWCOFOGE-DZGCQCFKSA-N 2 2 352.504 0.882 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430968801 489782863 /nfs/dbraw/zinc/78/28/63/489782863.db2.gz XKSDAPVWCOFOGE-DZGCQCFKSA-N 2 2 352.504 0.882 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418909594 489786624 /nfs/dbraw/zinc/78/66/24/489786624.db2.gz JOENCKWGNNAHRO-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431075927 489787568 /nfs/dbraw/zinc/78/75/68/489787568.db2.gz HXPYVKVWVBWTMU-CYBMUJFWSA-N 2 2 350.467 0.392 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H](C)[NH2+]1 ZINC000418913182 489788185 /nfs/dbraw/zinc/78/81/85/489788185.db2.gz XKEUOLCZUPRUQH-GASCZTMLSA-N 2 2 355.442 0.756 20 0 FCADLP CCC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000431097436 489788324 /nfs/dbraw/zinc/78/83/24/489788324.db2.gz BIGGTTVEPGIZHT-UHFFFAOYSA-N 2 2 354.476 0.737 20 0 FCADLP CCC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000431097436 489788326 /nfs/dbraw/zinc/78/83/26/489788326.db2.gz BIGGTTVEPGIZHT-UHFFFAOYSA-N 2 2 354.476 0.737 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459912073 489789087 /nfs/dbraw/zinc/78/90/87/489789087.db2.gz YQKQTQDQBZWPLU-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459912073 489789091 /nfs/dbraw/zinc/78/90/91/489789091.db2.gz YQKQTQDQBZWPLU-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000459914619 489789953 /nfs/dbraw/zinc/78/99/53/489789953.db2.gz FNPLHDPGZPLXGN-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987436 489791698 /nfs/dbraw/zinc/79/16/98/489791698.db2.gz LQDMQIUMZFXZDD-IEBWSBKVSA-N 2 2 372.513 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987436 489791700 /nfs/dbraw/zinc/79/17/00/489791700.db2.gz LQDMQIUMZFXZDD-IEBWSBKVSA-N 2 2 372.513 0.943 20 0 FCADLP COCCOc1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000491284930 489799080 /nfs/dbraw/zinc/79/90/80/489799080.db2.gz QYEYBLPFLUWZBM-INIZCTEOSA-N 2 2 363.458 0.920 20 0 FCADLP CC1(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000418946915 489800183 /nfs/dbraw/zinc/80/01/83/489800183.db2.gz RTDATMGENLLFAS-UHFFFAOYSA-N 2 2 364.515 0.728 20 0 FCADLP CC1(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000418946915 489800188 /nfs/dbraw/zinc/80/01/88/489800188.db2.gz RTDATMGENLLFAS-UHFFFAOYSA-N 2 2 364.515 0.728 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418950580 489801490 /nfs/dbraw/zinc/80/14/90/489801490.db2.gz WFSUTOZEEBENOR-QWHCGFSZSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418950580 489801495 /nfs/dbraw/zinc/80/14/95/489801495.db2.gz WFSUTOZEEBENOR-QWHCGFSZSA-N 2 2 350.488 0.431 20 0 FCADLP O=C(CNc1cc(N2CCOCC2)nc[nH+]1)NCC[NH+]1CCCCCC1 ZINC000431495804 489807576 /nfs/dbraw/zinc/80/75/76/489807576.db2.gz KVCZLEKUQUEINC-UHFFFAOYSA-N 2 2 362.478 0.717 20 0 FCADLP O=C(CNc1cc(N2CCOCC2)[nH+]cn1)NCC[NH+]1CCCCCC1 ZINC000431495804 489807582 /nfs/dbraw/zinc/80/75/82/489807582.db2.gz KVCZLEKUQUEINC-UHFFFAOYSA-N 2 2 362.478 0.717 20 0 FCADLP CCCCNc1cc(NCC(=O)NCC[NH+]2CCCCCC2)nc(N)[nH+]1 ZINC000431482037 489807684 /nfs/dbraw/zinc/80/76/84/489807684.db2.gz IVSRGZNJIGFSFE-UHFFFAOYSA-N 2 2 363.510 1.097 20 0 FCADLP CCCCNc1cc(NCC(=O)NCC[NH+]2CCCCCC2)[nH+]c(N)n1 ZINC000431482037 489807686 /nfs/dbraw/zinc/80/76/86/489807686.db2.gz IVSRGZNJIGFSFE-UHFFFAOYSA-N 2 2 363.510 1.097 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418982574 489810029 /nfs/dbraw/zinc/81/00/29/489810029.db2.gz CAVDFCOLEALYHU-HNNXBMFYSA-N 2 2 357.458 0.967 20 0 FCADLP CC[C@]1(C)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459992155 489810174 /nfs/dbraw/zinc/81/01/74/489810174.db2.gz QEHMUHZYDCHKRU-LJQANCHMSA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@]1(C)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000459992155 489810176 /nfs/dbraw/zinc/81/01/76/489810176.db2.gz QEHMUHZYDCHKRU-LJQANCHMSA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000460001179 489814451 /nfs/dbraw/zinc/81/44/51/489814451.db2.gz ALNLTFZACYUDRM-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000460001179 489814453 /nfs/dbraw/zinc/81/44/53/489814453.db2.gz ALNLTFZACYUDRM-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)CC2)c1 ZINC000459999820 489814529 /nfs/dbraw/zinc/81/45/29/489814529.db2.gz BPCVYNLYVXIKIT-QGZVFWFLSA-N 2 2 369.469 0.511 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000460001499 489815240 /nfs/dbraw/zinc/81/52/40/489815240.db2.gz YRNWHXBGIBFDDK-NVXWUHKLSA-N 2 2 360.458 0.862 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000460001499 489815242 /nfs/dbraw/zinc/81/52/42/489815242.db2.gz YRNWHXBGIBFDDK-NVXWUHKLSA-N 2 2 360.458 0.862 20 0 FCADLP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC000460011484 489817298 /nfs/dbraw/zinc/81/72/98/489817298.db2.gz IOVWZAMVXTYMNA-QGZVFWFLSA-N 2 2 368.522 0.497 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000460010268 489817318 /nfs/dbraw/zinc/81/73/18/489817318.db2.gz GYIBGWSKPCBUBS-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000460025644 489822758 /nfs/dbraw/zinc/82/27/58/489822758.db2.gz UAKZLMHISKPCSU-INIZCTEOSA-N 2 2 374.489 0.141 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419029809 489825667 /nfs/dbraw/zinc/82/56/67/489825667.db2.gz SGYOQOIODIJJDK-LJQANCHMSA-N 2 2 371.416 0.840 20 0 FCADLP Cn1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000571042766 491281674 /nfs/dbraw/zinc/28/16/74/491281674.db2.gz PKCZROQCHZMJTA-UHFFFAOYSA-N 2 2 364.475 0.306 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)c3cn(CCCC[NH3+])nn3)c[nH+]2)CCO1 ZINC000571043409 491281878 /nfs/dbraw/zinc/28/18/78/491281878.db2.gz BNVHWMHONAIKKC-CQSZACIVSA-N 2 2 373.461 0.567 20 0 FCADLP C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CCN(C)CC1 ZINC000492686257 489834668 /nfs/dbraw/zinc/83/46/68/489834668.db2.gz YMYHHYSQVYEVCY-CEXWTWQISA-N 2 2 365.566 0.639 20 0 FCADLP C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CCN(C)CC1 ZINC000492686257 489834673 /nfs/dbraw/zinc/83/46/73/489834673.db2.gz YMYHHYSQVYEVCY-CEXWTWQISA-N 2 2 365.566 0.639 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)CC[NH2+]1 ZINC000419067440 489842858 /nfs/dbraw/zinc/84/28/58/489842858.db2.gz DLINKVZPZDQBOH-DOMZBBRYSA-N 2 2 359.405 0.585 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000460075984 489843635 /nfs/dbraw/zinc/84/36/35/489843635.db2.gz MOZYRXNRTZNMGA-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419069675 489844371 /nfs/dbraw/zinc/84/43/71/489844371.db2.gz GHUOEISQPKROQC-CABCVRRESA-N 2 2 359.405 0.715 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000419069804 489844516 /nfs/dbraw/zinc/84/45/16/489844516.db2.gz GNEAFJZZPOSHNW-HNNXBMFYSA-N 2 2 361.421 0.881 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000563993598 491282614 /nfs/dbraw/zinc/28/26/14/491282614.db2.gz AIYMQTMITIMYAC-IRXDYDNUSA-N 2 2 368.522 0.546 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000460079900 489846097 /nfs/dbraw/zinc/84/60/97/489846097.db2.gz PSTXBOYNZQMQJK-HZPDHXFCSA-N 2 2 374.489 0.312 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000460079900 489846100 /nfs/dbraw/zinc/84/61/00/489846100.db2.gz PSTXBOYNZQMQJK-HZPDHXFCSA-N 2 2 374.489 0.312 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)[C@@H](C)C[NH2+]1 ZINC000419076175 489847616 /nfs/dbraw/zinc/84/76/16/489847616.db2.gz NUIFNBMPHPGANW-DVOMOZLQSA-N 2 2 373.432 0.974 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000475781372 489847697 /nfs/dbraw/zinc/84/76/97/489847697.db2.gz NRUVDNIHWQEIBC-CQSZACIVSA-N 2 2 373.461 0.292 20 0 FCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000475781372 489847701 /nfs/dbraw/zinc/84/77/01/489847701.db2.gz NRUVDNIHWQEIBC-CQSZACIVSA-N 2 2 373.461 0.292 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000419082046 489849657 /nfs/dbraw/zinc/84/96/57/489849657.db2.gz PFIVNXFOERGGOA-JKSUJKDBSA-N 2 2 373.432 0.975 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000377094598 489850681 /nfs/dbraw/zinc/85/06/81/489850681.db2.gz ORGYUAYLZPSZIF-NVXWUHKLSA-N 2 2 367.490 0.726 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000377094598 489850685 /nfs/dbraw/zinc/85/06/85/489850685.db2.gz ORGYUAYLZPSZIF-NVXWUHKLSA-N 2 2 367.490 0.726 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000460253785 489857677 /nfs/dbraw/zinc/85/76/77/489857677.db2.gz JWJOTUIEZMWUNO-SJORKVTESA-N 2 2 357.543 0.621 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000460253785 489857682 /nfs/dbraw/zinc/85/76/82/489857682.db2.gz JWJOTUIEZMWUNO-SJORKVTESA-N 2 2 357.543 0.621 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000475912958 489858074 /nfs/dbraw/zinc/85/80/74/489858074.db2.gz UHPICYKKGBAWEB-HOTGVXAUSA-N 2 2 359.536 0.828 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000475912958 489858077 /nfs/dbraw/zinc/85/80/77/489858077.db2.gz UHPICYKKGBAWEB-HOTGVXAUSA-N 2 2 359.536 0.828 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000460253726 489858424 /nfs/dbraw/zinc/85/84/24/489858424.db2.gz JLGLEPHCJRNOEU-KRWDZBQOSA-N 2 2 356.559 0.147 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000460253726 489858426 /nfs/dbraw/zinc/85/84/26/489858426.db2.gz JLGLEPHCJRNOEU-KRWDZBQOSA-N 2 2 356.559 0.147 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000460253726 489858430 /nfs/dbraw/zinc/85/84/30/489858430.db2.gz JLGLEPHCJRNOEU-KRWDZBQOSA-N 2 2 356.559 0.147 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1c(F)cccc1F ZINC000460262018 489859497 /nfs/dbraw/zinc/85/94/97/489859497.db2.gz LKGYFYGGHUPATE-PBHICJAKSA-N 2 2 356.417 0.933 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1c(F)cccc1F ZINC000460262018 489859499 /nfs/dbraw/zinc/85/94/99/489859499.db2.gz LKGYFYGGHUPATE-PBHICJAKSA-N 2 2 356.417 0.933 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419111504 489860050 /nfs/dbraw/zinc/86/00/50/489860050.db2.gz DFCITWOKGCWDEP-ARFHVFGLSA-N 2 2 354.495 0.045 20 0 FCADLP C(c1nnnn1C1CCOCC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000432950617 489860204 /nfs/dbraw/zinc/86/02/04/489860204.db2.gz SYSMEJGQVHWOBX-UHFFFAOYSA-N 2 2 350.467 0.569 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419112972 489860916 /nfs/dbraw/zinc/86/09/16/489860916.db2.gz GIRZLRMJLIFQCD-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000419114484 489861288 /nfs/dbraw/zinc/86/12/88/489861288.db2.gz HXLMEKOSRCYMOT-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000419115097 489861686 /nfs/dbraw/zinc/86/16/86/489861686.db2.gz JJBLKQRWJSPAML-OAHLLOKOSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)[NH+]1CCOCC1 ZINC000419115537 489861846 /nfs/dbraw/zinc/86/18/46/489861846.db2.gz JTYVBHXIUWEAJT-IRXDYDNUSA-N 2 2 370.538 0.681 20 0 FCADLP C[C@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1C[NH3+] ZINC000419114983 489861959 /nfs/dbraw/zinc/86/19/59/489861959.db2.gz IPDGRRLNBXUQNY-GOEBONIOSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000419117992 489863636 /nfs/dbraw/zinc/86/36/36/489863636.db2.gz NAOYSNHCJULSAI-ARFHVFGLSA-N 2 2 354.495 0.106 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119838 489864330 /nfs/dbraw/zinc/86/43/30/489864330.db2.gz PKXJGFCUILLROH-LPHOPBHVSA-N 2 2 368.522 0.355 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000419121940 489865899 /nfs/dbraw/zinc/86/58/99/489865899.db2.gz SLSGWECMWROWDG-MRXNPFEDSA-N 2 2 354.495 0.047 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419123801 489868182 /nfs/dbraw/zinc/86/81/82/489868182.db2.gz WKUBRFQQJGEHDA-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419123804 489868380 /nfs/dbraw/zinc/86/83/80/489868380.db2.gz WKUBRFQQJGEHDA-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000433163008 489869945 /nfs/dbraw/zinc/86/99/45/489869945.db2.gz WRZHDVNNNGWPCO-SFHVURJKSA-N 3 2 352.523 0.903 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)c2cc1C ZINC000377224967 489870856 /nfs/dbraw/zinc/87/08/56/489870856.db2.gz PEDIOFNJHAIAOZ-QGPMSJSTSA-N 2 2 358.442 0.603 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)c2cc1C ZINC000377224967 489870858 /nfs/dbraw/zinc/87/08/58/489870858.db2.gz PEDIOFNJHAIAOZ-QGPMSJSTSA-N 2 2 358.442 0.603 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494199193 489874079 /nfs/dbraw/zinc/87/40/79/489874079.db2.gz TWXKMGBPKGJPNQ-QGZVFWFLSA-N 2 2 354.495 0.602 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494199193 489874084 /nfs/dbraw/zinc/87/40/84/489874084.db2.gz TWXKMGBPKGJPNQ-QGZVFWFLSA-N 2 2 354.495 0.602 20 0 FCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(N)nc(N)n1 ZINC000377265307 489876675 /nfs/dbraw/zinc/87/66/75/489876675.db2.gz FBXCMCBRDROPIT-UHFFFAOYSA-N 3 2 362.526 0.325 20 0 FCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(N)nc(N)n1 ZINC000377265307 489876678 /nfs/dbraw/zinc/87/66/78/489876678.db2.gz FBXCMCBRDROPIT-UHFFFAOYSA-N 3 2 362.526 0.325 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(N)nc(N)n1 ZINC000377265307 489876684 /nfs/dbraw/zinc/87/66/84/489876684.db2.gz FBXCMCBRDROPIT-UHFFFAOYSA-N 2 2 362.526 0.325 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000420019205 489882140 /nfs/dbraw/zinc/88/21/40/489882140.db2.gz ZXDAUMISLZTCQQ-PVAVHDDUSA-N 3 2 367.538 0.245 20 0 FCADLP C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000420019205 489882143 /nfs/dbraw/zinc/88/21/43/489882143.db2.gz ZXDAUMISLZTCQQ-PVAVHDDUSA-N 3 2 367.538 0.245 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420022793 489882947 /nfs/dbraw/zinc/88/29/47/489882947.db2.gz WNMFHICMTAJTRN-OAGGEKHMSA-N 2 2 374.489 0.143 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420022793 489882951 /nfs/dbraw/zinc/88/29/51/489882951.db2.gz WNMFHICMTAJTRN-OAGGEKHMSA-N 2 2 374.489 0.143 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420024403 489884355 /nfs/dbraw/zinc/88/43/55/489884355.db2.gz YDMYLSSMMYWBNW-XUWVNRHRSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420024403 489884358 /nfs/dbraw/zinc/88/43/58/489884358.db2.gz YDMYLSSMMYWBNW-XUWVNRHRSA-N 2 2 354.495 0.188 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000420027690 489884988 /nfs/dbraw/zinc/88/49/88/489884988.db2.gz DGFIXWUWQKYBDL-RDTXWAMCSA-N 2 2 374.485 0.754 20 0 FCADLP CCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433483306 489889039 /nfs/dbraw/zinc/88/90/39/489889039.db2.gz DRKUFLKIJWLKEV-GJZGRUSLSA-N 2 2 362.478 0.025 20 0 FCADLP CC[C@H]1CN(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000494491873 489893406 /nfs/dbraw/zinc/89/34/06/489893406.db2.gz KHMJEWVNZVASCZ-IBGZPJMESA-N 2 2 354.539 0.483 20 0 FCADLP CC[C@H]1CN(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000494491873 489893410 /nfs/dbraw/zinc/89/34/10/489893410.db2.gz KHMJEWVNZVASCZ-IBGZPJMESA-N 2 2 354.539 0.483 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000420065653 489900255 /nfs/dbraw/zinc/90/02/55/489900255.db2.gz PRRBVRVBSZQXSL-APIJFGDWSA-N 2 2 363.462 0.522 20 0 FCADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000494636348 489901701 /nfs/dbraw/zinc/90/17/01/489901701.db2.gz WGQMSBVRBJUYHP-ZDUSSCGKSA-N 2 2 362.478 0.533 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420074813 489903323 /nfs/dbraw/zinc/90/33/23/489903323.db2.gz ZXIWBVDOAQQKBY-SOLBZPMBSA-N 2 2 373.501 0.921 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420074810 489903753 /nfs/dbraw/zinc/90/37/53/489903753.db2.gz ZXIWBVDOAQQKBY-JFIYKMOQSA-N 2 2 373.501 0.921 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420075380 489904052 /nfs/dbraw/zinc/90/40/52/489904052.db2.gz SDWAENMPCXBJIA-GDBMZVCRSA-N 2 2 361.490 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420083810 489906618 /nfs/dbraw/zinc/90/66/18/489906618.db2.gz LZZVHRCRWBWQMQ-GASCZTMLSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420083810 489906620 /nfs/dbraw/zinc/90/66/20/489906620.db2.gz LZZVHRCRWBWQMQ-GASCZTMLSA-N 2 2 354.495 0.060 20 0 FCADLP CN(C(=O)[C@H]1C[C@H]1C1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000433995862 489908863 /nfs/dbraw/zinc/90/88/63/489908863.db2.gz BAGORCKSEQSMPP-ROUUACIJSA-N 2 2 362.518 0.729 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420121971 489920033 /nfs/dbraw/zinc/92/00/33/489920033.db2.gz NHYUBYJREGPNSZ-INIZCTEOSA-N 2 2 373.501 0.793 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420126161 489921960 /nfs/dbraw/zinc/92/19/60/489921960.db2.gz NORNILKEARTJQY-CYBMUJFWSA-N 2 2 361.446 0.125 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420129350 489922358 /nfs/dbraw/zinc/92/23/58/489922358.db2.gz QMURNCKDWMXABY-JZXOWHBKSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420129350 489922360 /nfs/dbraw/zinc/92/23/60/489922360.db2.gz QMURNCKDWMXABY-JZXOWHBKSA-N 2 2 358.486 0.976 20 0 FCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000420137682 489926833 /nfs/dbraw/zinc/92/68/33/489926833.db2.gz LTKWEVJGICLKJJ-HNNXBMFYSA-N 2 2 373.457 0.163 20 0 FCADLP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)[NH+]3CCOCC3)CC2)CC1 ZINC000434428437 489927200 /nfs/dbraw/zinc/92/72/00/489927200.db2.gz BLPFDGIENMMYLQ-QGZVFWFLSA-N 2 2 352.523 0.724 20 0 FCADLP CCN1CCN(CCOCC[N@@H+]2CCN(CC)C(=O)[C@H]2C)[C@H](C)C1=O ZINC000495256794 489933507 /nfs/dbraw/zinc/93/35/07/489933507.db2.gz UKUFTBWXVBJOPV-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCN1CCN(CCOCC[N@H+]2CCN(CC)C(=O)[C@H]2C)[C@H](C)C1=O ZINC000495256794 489933509 /nfs/dbraw/zinc/93/35/09/489933509.db2.gz UKUFTBWXVBJOPV-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCN1CC[NH+](CCOCC[N@H+]2CCN(CC)C(=O)[C@H]2C)[C@H](C)C1=O ZINC000495256794 489933512 /nfs/dbraw/zinc/93/35/12/489933512.db2.gz UKUFTBWXVBJOPV-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCN1CC[NH+](CCOCC[N@@H+]2CCN(CC)C(=O)[C@H]2C)[C@H](C)C1=O ZINC000495256794 489933514 /nfs/dbraw/zinc/93/35/14/489933514.db2.gz UKUFTBWXVBJOPV-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420160042 489936753 /nfs/dbraw/zinc/93/67/53/489936753.db2.gz DHIZSFYTXNCJHD-INIZCTEOSA-N 2 2 371.485 0.713 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)cc[nH+]1 ZINC000420165582 489937421 /nfs/dbraw/zinc/93/74/21/489937421.db2.gz HRAWRUDWSUPOBL-HNNXBMFYSA-N 2 2 374.489 0.328 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000420172826 489939584 /nfs/dbraw/zinc/93/95/84/489939584.db2.gz WCTGURWKICPQOI-PMPSAXMXSA-N 2 2 366.506 0.060 20 0 FCADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[NH2+]CCOC ZINC000420181443 489943637 /nfs/dbraw/zinc/94/36/37/489943637.db2.gz IGTQBYLIQIUQQR-AWEZNQCLSA-N 2 2 351.451 0.309 20 0 FCADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000420184391 489944337 /nfs/dbraw/zinc/94/43/37/489944337.db2.gz NIJMYYGFHZCJSX-CQSZACIVSA-N 2 2 368.503 0.306 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119087 491290038 /nfs/dbraw/zinc/29/00/38/491290038.db2.gz XJYHHPVJLXZEOH-CVEARBPZSA-N 2 2 361.490 0.985 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000564119087 491290039 /nfs/dbraw/zinc/29/00/39/491290039.db2.gz XJYHHPVJLXZEOH-CVEARBPZSA-N 2 2 361.490 0.985 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000420199371 489949520 /nfs/dbraw/zinc/94/95/20/489949520.db2.gz DEFXZQFISUCBCE-ANQUJSFKSA-N 2 2 358.442 0.566 20 0 FCADLP C[C@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)[C@@H](C[NH3+])C1 ZINC000420258172 489958383 /nfs/dbraw/zinc/95/83/83/489958383.db2.gz JQXCVYRENNRLSJ-LSDHHAIUSA-N 2 2 367.519 0.581 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477376547 489961067 /nfs/dbraw/zinc/96/10/67/489961067.db2.gz RKPMKSBGQIHXLS-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477376547 489961069 /nfs/dbraw/zinc/96/10/69/489961069.db2.gz RKPMKSBGQIHXLS-HZPDHXFCSA-N 2 2 356.511 0.448 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000420305587 489961250 /nfs/dbraw/zinc/96/12/50/489961250.db2.gz ZAQXJNQHLSIKED-INIZCTEOSA-N 2 2 359.474 0.904 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000420305587 489961255 /nfs/dbraw/zinc/96/12/55/489961255.db2.gz ZAQXJNQHLSIKED-INIZCTEOSA-N 2 2 359.474 0.904 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420316529 489962475 /nfs/dbraw/zinc/96/24/75/489962475.db2.gz SXIXAIOTLHDUFW-CYBMUJFWSA-N 2 2 351.451 0.999 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420316529 489962478 /nfs/dbraw/zinc/96/24/78/489962478.db2.gz SXIXAIOTLHDUFW-CYBMUJFWSA-N 2 2 351.451 0.999 20 0 FCADLP Cc1cccc2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000420311721 489962979 /nfs/dbraw/zinc/96/29/79/489962979.db2.gz RJMCDZHWLIYNBA-INIZCTEOSA-N 2 2 355.442 0.399 20 0 FCADLP Cc1cccc2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc(=O)n12 ZINC000420311721 489962981 /nfs/dbraw/zinc/96/29/81/489962981.db2.gz RJMCDZHWLIYNBA-INIZCTEOSA-N 2 2 355.442 0.399 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420362234 489967409 /nfs/dbraw/zinc/96/74/09/489967409.db2.gz IOSVGWNNNRLTKA-CKFHNAJUSA-N 2 2 362.474 0.880 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420361589 489967725 /nfs/dbraw/zinc/96/77/25/489967725.db2.gz IBMRMKLUPDVDFJ-PBFPGSCMSA-N 2 2 368.503 0.852 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420353642 489967745 /nfs/dbraw/zinc/96/77/45/489967745.db2.gz NLNZOBCMWHPYIL-DZGCQCFKSA-N 2 2 350.463 0.286 20 0 FCADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420353642 489967748 /nfs/dbraw/zinc/96/77/48/489967748.db2.gz NLNZOBCMWHPYIL-DZGCQCFKSA-N 2 2 350.463 0.286 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420373023 489968710 /nfs/dbraw/zinc/96/87/10/489968710.db2.gz YVXANFVKADMEAG-MRXNPFEDSA-N 2 2 362.474 0.881 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385163 489969721 /nfs/dbraw/zinc/96/97/21/489969721.db2.gz UOSGYGPHQCKFGM-QFBILLFUSA-N 2 2 358.490 0.589 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385163 489969724 /nfs/dbraw/zinc/96/97/24/489969724.db2.gz UOSGYGPHQCKFGM-QFBILLFUSA-N 2 2 358.490 0.589 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(O)(C[NH3+])CC3)CC2)c1 ZINC000420408456 489972540 /nfs/dbraw/zinc/97/25/40/489972540.db2.gz WCCLMRHZFUQJJR-UHFFFAOYSA-N 3 2 360.502 0.425 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420422463 489974360 /nfs/dbraw/zinc/97/43/60/489974360.db2.gz ZMXWIVMTOQJHDP-YPMHNXCESA-N 2 2 361.425 0.965 20 0 FCADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420422463 489974365 /nfs/dbraw/zinc/97/43/65/489974365.db2.gz ZMXWIVMTOQJHDP-YPMHNXCESA-N 2 2 361.425 0.965 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000477592626 489975087 /nfs/dbraw/zinc/97/50/87/489975087.db2.gz PYPXFDAINPWADP-QGZVFWFLSA-N 2 2 371.503 0.110 20 0 FCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911088 489977630 /nfs/dbraw/zinc/97/76/30/489977630.db2.gz MKKXUPZQHMMTNP-ROUUACIJSA-N 2 2 374.533 0.934 20 0 FCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911088 489977635 /nfs/dbraw/zinc/97/76/35/489977635.db2.gz MKKXUPZQHMMTNP-ROUUACIJSA-N 2 2 374.533 0.934 20 0 FCADLP Cn1cc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000420473764 489982869 /nfs/dbraw/zinc/98/28/69/489982869.db2.gz WKCIGEAUKSWOIE-UHFFFAOYSA-N 2 2 363.487 0.692 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206784 491293036 /nfs/dbraw/zinc/29/30/36/491293036.db2.gz XNTHXYIGGOCPFC-HOTGVXAUSA-N 2 2 359.474 0.504 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000571206784 491293038 /nfs/dbraw/zinc/29/30/38/491293038.db2.gz XNTHXYIGGOCPFC-HOTGVXAUSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000556084273 491293070 /nfs/dbraw/zinc/29/30/70/491293070.db2.gz VGWNSOUHUBYSCG-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000556084273 491293072 /nfs/dbraw/zinc/29/30/72/491293072.db2.gz VGWNSOUHUBYSCG-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000477815306 489992352 /nfs/dbraw/zinc/99/23/52/489992352.db2.gz HHSDFKKYKRPBGF-KRWDZBQOSA-N 2 2 368.522 0.548 20 0 FCADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477819557 489992363 /nfs/dbraw/zinc/99/23/63/489992363.db2.gz PCLIKHSRGHERDB-PMPSAXMXSA-N 2 2 356.511 0.582 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477827817 489992578 /nfs/dbraw/zinc/99/25/78/489992578.db2.gz PCLIKHSRGHERDB-JYJNAYRXSA-N 2 2 356.511 0.582 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000462786111 489992564 /nfs/dbraw/zinc/99/25/64/489992564.db2.gz UUCLGRRRMJFQHL-KRWDZBQOSA-N 3 2 354.539 0.877 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377873 490000124 /nfs/dbraw/zinc/00/01/24/490000124.db2.gz GDKFLCMXFRHBPE-CABCVRRESA-N 2 2 353.488 0.877 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000435377873 490000127 /nfs/dbraw/zinc/00/01/27/490000127.db2.gz GDKFLCMXFRHBPE-CABCVRRESA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371769 490000157 /nfs/dbraw/zinc/00/01/57/490000157.db2.gz OMGFEEQTXABUHU-LSDHHAIUSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371769 490000159 /nfs/dbraw/zinc/00/01/59/490000159.db2.gz OMGFEEQTXABUHU-LSDHHAIUSA-N 2 2 353.488 0.877 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCc3cccnc3)CC2)CC1 ZINC000420601892 490001306 /nfs/dbraw/zinc/00/13/06/490001306.db2.gz AFEWKAVACSVYGA-UHFFFAOYSA-N 2 2 373.501 0.716 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCc3cccnc3)CC2)CC1 ZINC000420601892 490001310 /nfs/dbraw/zinc/00/13/10/490001310.db2.gz AFEWKAVACSVYGA-UHFFFAOYSA-N 2 2 373.501 0.716 20 0 FCADLP C[NH+](C)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000463356039 490012487 /nfs/dbraw/zinc/01/24/87/490012487.db2.gz YSVJHUOQQFDFPS-SFHVURJKSA-N 2 2 369.531 0.801 20 0 FCADLP CCS(=O)(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420901578 490030407 /nfs/dbraw/zinc/03/04/07/490030407.db2.gz KJOKPWKKUIFYFD-UHFFFAOYSA-N 2 2 367.515 0.986 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C1 ZINC000478794116 490037679 /nfs/dbraw/zinc/03/76/79/490037679.db2.gz HGYZPKYFMUDJLO-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)C1 ZINC000478794116 490037684 /nfs/dbraw/zinc/03/76/84/490037684.db2.gz HGYZPKYFMUDJLO-JKSUJKDBSA-N 2 2 355.527 0.109 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441948089 490057647 /nfs/dbraw/zinc/05/76/47/490057647.db2.gz LSIXVCKYYMMBCW-UHFFFAOYSA-N 2 2 367.413 1.307 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059882 490066112 /nfs/dbraw/zinc/06/61/12/490066112.db2.gz NRPHZUVCVJHLIY-HZPDHXFCSA-N 2 2 359.536 0.719 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000443059882 490066116 /nfs/dbraw/zinc/06/61/16/490066116.db2.gz NRPHZUVCVJHLIY-HZPDHXFCSA-N 2 2 359.536 0.719 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289398 491298332 /nfs/dbraw/zinc/29/83/32/491298332.db2.gz ABOVFFAXAPSWJZ-ICSRJNTNSA-N 3 2 361.534 0.886 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000571289398 491298335 /nfs/dbraw/zinc/29/83/35/491298335.db2.gz ABOVFFAXAPSWJZ-ICSRJNTNSA-N 3 2 361.534 0.886 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000491068234 490075527 /nfs/dbraw/zinc/07/55/27/490075527.db2.gz UHOVWZIAFGAHKC-MRXNPFEDSA-N 2 2 356.536 0.789 20 0 FCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000519793576 490086101 /nfs/dbraw/zinc/08/61/01/490086101.db2.gz XAAHWHZIJJAXRF-UHFFFAOYSA-N 2 2 352.464 0.701 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)NCC3CCC3)CC2)CC1 ZINC000421714528 490099207 /nfs/dbraw/zinc/09/92/07/490099207.db2.gz KDMKUUXPQAOQMK-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)NCC3CCC3)CC2)CC1 ZINC000421714528 490099215 /nfs/dbraw/zinc/09/92/15/490099215.db2.gz KDMKUUXPQAOQMK-UHFFFAOYSA-N 2 2 350.507 0.921 20 0 FCADLP Cc1cc(CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc(C)[nH+]1 ZINC000421724289 490099723 /nfs/dbraw/zinc/09/97/23/490099723.db2.gz ASXBLBJWDCNBRZ-QGZVFWFLSA-N 2 2 350.488 0.868 20 0 FCADLP O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532735393 490103568 /nfs/dbraw/zinc/10/35/68/490103568.db2.gz UFHWXMANXAOXLY-UHFFFAOYSA-N 2 2 371.485 0.992 20 0 FCADLP COC1CC([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC000545302636 490114448 /nfs/dbraw/zinc/11/44/48/490114448.db2.gz ZUMFYIUUMSWCKE-UHFFFAOYSA-N 2 2 353.488 0.890 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H](C)[NH+]1CCOCC1 ZINC000520197416 490115214 /nfs/dbraw/zinc/11/52/14/490115214.db2.gz QGBBAIVXESEPEI-ZIAGYGMSSA-N 2 2 360.458 0.496 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000465447933 490121875 /nfs/dbraw/zinc/12/18/75/490121875.db2.gz KBBVDKWITLQDII-UHFFFAOYSA-N 2 2 355.527 0.914 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479766590 490122818 /nfs/dbraw/zinc/12/28/18/490122818.db2.gz QBHXJZSVKBCTPX-FFZOFVMBSA-N 3 2 372.513 0.675 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479766590 490122824 /nfs/dbraw/zinc/12/28/24/490122824.db2.gz QBHXJZSVKBCTPX-FFZOFVMBSA-N 3 2 372.513 0.675 20 0 FCADLP C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479776577 490123343 /nfs/dbraw/zinc/12/33/43/490123343.db2.gz IGFGXUNJCDALMT-RWMBFGLXSA-N 2 2 360.414 0.646 20 0 FCADLP C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479776577 490123351 /nfs/dbraw/zinc/12/33/51/490123351.db2.gz IGFGXUNJCDALMT-RWMBFGLXSA-N 2 2 360.414 0.646 20 0 FCADLP CN(C)c1ccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c[nH+]1 ZINC000465544933 490128477 /nfs/dbraw/zinc/12/84/77/490128477.db2.gz RBHUFSWKZJOIEE-KRWDZBQOSA-N 2 2 351.451 0.030 20 0 FCADLP CCC(CC)[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000497019177 490135191 /nfs/dbraw/zinc/13/51/91/490135191.db2.gz LEHHCVXCYLBVJK-ZWKOTPCHSA-N 2 2 371.522 0.275 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000465656434 490136719 /nfs/dbraw/zinc/13/67/19/490136719.db2.gz DZNPJASZDVFJDF-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000465656434 490136726 /nfs/dbraw/zinc/13/67/26/490136726.db2.gz DZNPJASZDVFJDF-IRXDYDNUSA-N 2 2 365.522 0.809 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000564347219 491302433 /nfs/dbraw/zinc/30/24/33/491302433.db2.gz GVGYNVOSRBESIS-UONOGXRCSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000564347219 491302435 /nfs/dbraw/zinc/30/24/35/491302435.db2.gz GVGYNVOSRBESIS-UONOGXRCSA-N 2 2 359.430 0.195 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000520408384 490143928 /nfs/dbraw/zinc/14/39/28/490143928.db2.gz IPHKMVYKSBJSSL-AWEZNQCLSA-N 2 2 353.467 0.074 20 0 FCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000520408384 490143937 /nfs/dbraw/zinc/14/39/37/490143937.db2.gz IPHKMVYKSBJSSL-AWEZNQCLSA-N 2 2 353.467 0.074 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000392071209 490146569 /nfs/dbraw/zinc/14/65/69/490146569.db2.gz HZOJEBBCFDYBJH-HOTGVXAUSA-N 2 2 353.488 0.702 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000392071202 490146906 /nfs/dbraw/zinc/14/69/06/490146906.db2.gz HZOJEBBCFDYBJH-CVEARBPZSA-N 2 2 353.488 0.702 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422099790 490151626 /nfs/dbraw/zinc/15/16/26/490151626.db2.gz CTTLYFQPKIGEAY-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422099790 490151637 /nfs/dbraw/zinc/15/16/37/490151637.db2.gz CTTLYFQPKIGEAY-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422099790 490151644 /nfs/dbraw/zinc/15/16/44/490151644.db2.gz CTTLYFQPKIGEAY-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422099790 490151651 /nfs/dbraw/zinc/15/16/51/490151651.db2.gz CTTLYFQPKIGEAY-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000466075872 490162133 /nfs/dbraw/zinc/16/21/33/490162133.db2.gz NJNABDFZYNKPGH-UHFFFAOYSA-N 2 2 352.483 0.216 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000466075872 490162139 /nfs/dbraw/zinc/16/21/39/490162139.db2.gz NJNABDFZYNKPGH-UHFFFAOYSA-N 2 2 352.483 0.216 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556242598 491304994 /nfs/dbraw/zinc/30/49/94/491304994.db2.gz RBBBETIFSUEGPZ-HNNXBMFYSA-N 2 2 359.474 0.719 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556242598 491304996 /nfs/dbraw/zinc/30/49/96/491304996.db2.gz RBBBETIFSUEGPZ-HNNXBMFYSA-N 2 2 359.474 0.719 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000480310612 490179282 /nfs/dbraw/zinc/17/92/82/490179282.db2.gz VWTQQKYMMLPGHJ-UHFFFAOYSA-N 2 2 354.480 0.616 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422134708 490183621 /nfs/dbraw/zinc/18/36/21/490183621.db2.gz JUDFQLHGSWRAQY-FUHWJXTLSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422134708 490183629 /nfs/dbraw/zinc/18/36/29/490183629.db2.gz JUDFQLHGSWRAQY-FUHWJXTLSA-N 2 2 373.501 0.839 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000571419206 491306335 /nfs/dbraw/zinc/30/63/35/491306335.db2.gz SSBPQTFQUQBIQB-FUHWJXTLSA-N 2 2 374.485 0.726 20 0 FCADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000571419206 491306337 /nfs/dbraw/zinc/30/63/37/491306337.db2.gz SSBPQTFQUQBIQB-FUHWJXTLSA-N 2 2 374.485 0.726 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC(COC)COC)CC2)CC1 ZINC000422200212 490201350 /nfs/dbraw/zinc/20/13/50/490201350.db2.gz CDQBCKHUSUCVPE-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC(COC)COC)CC2)CC1 ZINC000422200212 490201356 /nfs/dbraw/zinc/20/13/56/490201356.db2.gz CDQBCKHUSUCVPE-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308687 490209795 /nfs/dbraw/zinc/20/97/95/490209795.db2.gz VMDUUROIOLVYJA-HKUYNNGSSA-N 2 2 352.523 0.817 20 0 FCADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC000533308687 490209802 /nfs/dbraw/zinc/20/98/02/490209802.db2.gz VMDUUROIOLVYJA-HKUYNNGSSA-N 2 2 352.523 0.817 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@H]1C ZINC000447254526 490210488 /nfs/dbraw/zinc/21/04/88/490210488.db2.gz BTXPRFNJDMQOHA-HHARLNAUSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@H]1C ZINC000447254526 490210495 /nfs/dbraw/zinc/21/04/95/490210495.db2.gz BTXPRFNJDMQOHA-HHARLNAUSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@H]1C ZINC000447254526 490210503 /nfs/dbraw/zinc/21/05/03/490210503.db2.gz BTXPRFNJDMQOHA-HHARLNAUSA-N 2 2 370.490 0.609 20 0 FCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C(=O)OC)[C@H](C)C2)C[C@H]1C ZINC000447254526 490210509 /nfs/dbraw/zinc/21/05/09/490210509.db2.gz BTXPRFNJDMQOHA-HHARLNAUSA-N 2 2 370.490 0.609 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000466794649 490212895 /nfs/dbraw/zinc/21/28/95/490212895.db2.gz XIHQXZTWXMUNIN-KEYYUXOJSA-N 2 2 363.506 0.463 20 0 FCADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000466929558 490226787 /nfs/dbraw/zinc/22/67/87/490226787.db2.gz BUKWDDWYTJQVDL-KRWDZBQOSA-N 2 2 359.474 0.334 20 0 FCADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000466929558 490226794 /nfs/dbraw/zinc/22/67/94/490226794.db2.gz BUKWDDWYTJQVDL-KRWDZBQOSA-N 2 2 359.474 0.334 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCCC[N@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000422290953 490233450 /nfs/dbraw/zinc/23/34/50/490233450.db2.gz CIQIZLAAOCKIMO-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000422290953 490233459 /nfs/dbraw/zinc/23/34/59/490233459.db2.gz CIQIZLAAOCKIMO-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000422301073 490243622 /nfs/dbraw/zinc/24/36/22/490243622.db2.gz WFKWXZIWVCYTIK-JYJNAYRXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000422301073 490243631 /nfs/dbraw/zinc/24/36/31/490243631.db2.gz WFKWXZIWVCYTIK-JYJNAYRXSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000521649403 490286794 /nfs/dbraw/zinc/28/67/94/490286794.db2.gz IAJATQUIMIVRSU-QGZVFWFLSA-N 2 2 368.522 0.452 20 0 FCADLP Cc1noc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C2CCOCC2)n1 ZINC000498344610 490287345 /nfs/dbraw/zinc/28/73/45/490287345.db2.gz PABAJNVIJYJUSJ-INIZCTEOSA-N 2 2 351.451 0.599 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000571548784 491315025 /nfs/dbraw/zinc/31/50/25/491315025.db2.gz SKGLZCYJXYEZNY-HUUCEWRRSA-N 2 2 363.462 0.272 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841147 490301681 /nfs/dbraw/zinc/30/16/81/490301681.db2.gz WPYIHTBOAIQOCX-ROUUACIJSA-N 2 2 362.474 0.647 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841147 490301684 /nfs/dbraw/zinc/30/16/84/490301684.db2.gz WPYIHTBOAIQOCX-ROUUACIJSA-N 2 2 362.474 0.647 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000533931222 490301710 /nfs/dbraw/zinc/30/17/10/490301710.db2.gz HYNVJRBKUATNTH-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000533931222 490301715 /nfs/dbraw/zinc/30/17/15/490301715.db2.gz HYNVJRBKUATNTH-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCNC2=O)CC1 ZINC000533931222 490301717 /nfs/dbraw/zinc/30/17/17/490301717.db2.gz HYNVJRBKUATNTH-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCNC2=O)CC1 ZINC000533931222 490301721 /nfs/dbraw/zinc/30/17/21/490301721.db2.gz HYNVJRBKUATNTH-SFHVURJKSA-N 2 2 358.486 0.850 20 0 FCADLP CCN1CC[NH+](C[C@H](C)CNC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000467556638 490308669 /nfs/dbraw/zinc/30/86/69/490308669.db2.gz XQEVEXKYYXSNRM-GOSISDBHSA-N 2 2 353.555 0.404 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000467555124 490308731 /nfs/dbraw/zinc/30/87/31/490308731.db2.gz SZTWITCABPVRQG-UHFFFAOYSA-N 3 2 353.555 0.498 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000467555124 490308742 /nfs/dbraw/zinc/30/87/42/490308742.db2.gz SZTWITCABPVRQG-UHFFFAOYSA-N 3 2 353.555 0.498 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000467555124 490308748 /nfs/dbraw/zinc/30/87/48/490308748.db2.gz SZTWITCABPVRQG-UHFFFAOYSA-N 3 2 353.555 0.498 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000467555124 490308756 /nfs/dbraw/zinc/30/87/56/490308756.db2.gz SZTWITCABPVRQG-UHFFFAOYSA-N 3 2 353.555 0.498 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000483414495 490315666 /nfs/dbraw/zinc/31/56/66/490315666.db2.gz IRQPOGFWTOFQIU-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000483414495 490315672 /nfs/dbraw/zinc/31/56/72/490315672.db2.gz IRQPOGFWTOFQIU-HUUCEWRRSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCCCC1 ZINC000467650595 490326176 /nfs/dbraw/zinc/32/61/76/490326176.db2.gz OGHVNGSUDOIXIK-JKSUJKDBSA-N 2 2 359.536 0.828 20 0 FCADLP CNc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000467795248 490340402 /nfs/dbraw/zinc/34/04/02/490340402.db2.gz MGHBYXKPOPFRHJ-GASCZTMLSA-N 3 2 362.526 0.396 20 0 FCADLP CNc1nc(N2CCC[C@H]([NH+](C)C)C2)nc(N2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000467795248 490340408 /nfs/dbraw/zinc/34/04/08/490340408.db2.gz MGHBYXKPOPFRHJ-GASCZTMLSA-N 3 2 362.526 0.396 20 0 FCADLP CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000534296339 490345697 /nfs/dbraw/zinc/34/56/97/490345697.db2.gz XFYGFHCFIPAPRO-HOTGVXAUSA-N 2 2 353.511 0.569 20 0 FCADLP CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534296339 490345704 /nfs/dbraw/zinc/34/57/04/490345704.db2.gz XFYGFHCFIPAPRO-HOTGVXAUSA-N 2 2 353.511 0.569 20 0 FCADLP O=C(NCc1ccc2c[nH+]cn2c1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000422477597 490347051 /nfs/dbraw/zinc/34/70/51/490347051.db2.gz YFCHSDWVSFFONW-UHFFFAOYSA-N 2 2 367.413 0.018 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497457 490361161 /nfs/dbraw/zinc/36/11/61/490361161.db2.gz VNKHYKKSYYFVHG-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497457 490361167 /nfs/dbraw/zinc/36/11/67/490361167.db2.gz VNKHYKKSYYFVHG-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000422497457 490361174 /nfs/dbraw/zinc/36/11/74/490361174.db2.gz VNKHYKKSYYFVHG-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000422497457 490361181 /nfs/dbraw/zinc/36/11/81/490361181.db2.gz VNKHYKKSYYFVHG-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497455 490361383 /nfs/dbraw/zinc/36/13/83/490361383.db2.gz VNKHYKKSYYFVHG-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497455 490361391 /nfs/dbraw/zinc/36/13/91/490361391.db2.gz VNKHYKKSYYFVHG-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000422497455 490361398 /nfs/dbraw/zinc/36/13/98/490361398.db2.gz VNKHYKKSYYFVHG-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000422497455 490361404 /nfs/dbraw/zinc/36/14/04/490361404.db2.gz VNKHYKKSYYFVHG-BBWFWOEESA-N 2 2 368.522 0.402 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000498934265 490366450 /nfs/dbraw/zinc/36/64/50/490366450.db2.gz AGWZHRLQTPTPHS-DLBZAZTESA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000498934265 490366453 /nfs/dbraw/zinc/36/64/53/490366453.db2.gz AGWZHRLQTPTPHS-DLBZAZTESA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+]1C[C@H](C)O ZINC000498934265 490366461 /nfs/dbraw/zinc/36/64/61/490366461.db2.gz AGWZHRLQTPTPHS-DLBZAZTESA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC[NH+]1C[C@H](C)O ZINC000498934265 490366465 /nfs/dbraw/zinc/36/64/65/490366465.db2.gz AGWZHRLQTPTPHS-DLBZAZTESA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000498960347 490372725 /nfs/dbraw/zinc/37/27/25/490372725.db2.gz ROKLCAPORBXEOX-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000498960347 490372733 /nfs/dbraw/zinc/37/27/33/490372733.db2.gz ROKLCAPORBXEOX-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000498960347 490372739 /nfs/dbraw/zinc/37/27/39/490372739.db2.gz ROKLCAPORBXEOX-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000498960347 490372746 /nfs/dbraw/zinc/37/27/46/490372746.db2.gz ROKLCAPORBXEOX-INIZCTEOSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000509055801 490385103 /nfs/dbraw/zinc/38/51/03/490385103.db2.gz MMHUPBZKFQBTLE-CRAIPNDOSA-N 2 2 359.470 0.578 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000509055801 490385106 /nfs/dbraw/zinc/38/51/06/490385106.db2.gz MMHUPBZKFQBTLE-CRAIPNDOSA-N 2 2 359.470 0.578 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)CC1 ZINC000411153219 490394941 /nfs/dbraw/zinc/39/49/41/490394941.db2.gz IEDIWHUMGZRVDW-UHFFFAOYSA-N 2 2 366.437 0.869 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000484232109 490400155 /nfs/dbraw/zinc/40/01/55/490400155.db2.gz JRZKKIYHUZYZIU-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548361 490402309 /nfs/dbraw/zinc/40/23/09/490402309.db2.gz YZHVXSVTURDPKN-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548361 490402317 /nfs/dbraw/zinc/40/23/17/490402317.db2.gz YZHVXSVTURDPKN-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548361 490402324 /nfs/dbraw/zinc/40/23/24/490402324.db2.gz YZHVXSVTURDPKN-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000422548361 490402332 /nfs/dbraw/zinc/40/23/32/490402332.db2.gz YZHVXSVTURDPKN-SJLPKXTDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340573 490414878 /nfs/dbraw/zinc/41/48/78/490414878.db2.gz HBPZLAUQLGLQDC-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340573 490414881 /nfs/dbraw/zinc/41/48/81/490414881.db2.gz HBPZLAUQLGLQDC-GJZGRUSLSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000556653991 491325877 /nfs/dbraw/zinc/32/58/77/491325877.db2.gz KPRGQTNRMFHQGW-CZUORRHYSA-N 2 2 355.442 0.858 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000556653991 491325879 /nfs/dbraw/zinc/32/58/79/491325879.db2.gz KPRGQTNRMFHQGW-CZUORRHYSA-N 2 2 355.442 0.858 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000548211607 490441316 /nfs/dbraw/zinc/44/13/16/490441316.db2.gz XMLNTQAEPYZEPE-HNNXBMFYSA-N 2 2 350.467 0.631 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2nc(NC)c3ccccc3[nH+]2)CC1 ZINC000450257442 490455663 /nfs/dbraw/zinc/45/56/63/490455663.db2.gz LPAXCDIMWGAREX-UHFFFAOYSA-N 2 2 356.474 0.918 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000535092565 490455946 /nfs/dbraw/zinc/45/59/46/490455946.db2.gz YRXONBUDHIXLEP-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000535092565 490455953 /nfs/dbraw/zinc/45/59/53/490455953.db2.gz YRXONBUDHIXLEP-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP C[C@H](CCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422709329 490462436 /nfs/dbraw/zinc/46/24/36/490462436.db2.gz KIRYKPCMIHCQRL-OAHLLOKOSA-N 3 2 355.508 0.250 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422708283 490462809 /nfs/dbraw/zinc/46/28/09/490462809.db2.gz IUTHDQUOVCPURZ-HUUCEWRRSA-N 3 2 355.508 0.249 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000535182213 490464724 /nfs/dbraw/zinc/46/47/24/490464724.db2.gz PKCXDDOXJMXSMQ-CABCVRRESA-N 2 2 362.478 0.506 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000535182213 490464731 /nfs/dbraw/zinc/46/47/31/490464731.db2.gz PKCXDDOXJMXSMQ-CABCVRRESA-N 2 2 362.478 0.506 20 0 FCADLP Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCOCC2)CCO1 ZINC000548343336 490466365 /nfs/dbraw/zinc/46/63/65/490466365.db2.gz FRSNLRRUVGYGNI-GOEBONIOSA-N 2 2 351.451 0.662 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484934129 490480745 /nfs/dbraw/zinc/48/07/45/490480745.db2.gz HLONFWHYQYSSQR-MELADBBJSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484934129 490480751 /nfs/dbraw/zinc/48/07/51/490480751.db2.gz HLONFWHYQYSSQR-MELADBBJSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422832408 490483822 /nfs/dbraw/zinc/48/38/22/490483822.db2.gz UXTURNPCFZDMOX-LSDHHAIUSA-N 2 2 352.479 0.988 20 0 FCADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422871656 490489821 /nfs/dbraw/zinc/48/98/21/490489821.db2.gz ZKGCGXHRQSFZDR-CVEARBPZSA-N 2 2 359.474 0.754 20 0 FCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889595 490491246 /nfs/dbraw/zinc/49/12/46/490491246.db2.gz PWVRGZGSXPPRJE-CABCVRRESA-N 3 2 354.495 0.237 20 0 FCADLP CCOC(=O)C1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000422889595 490491253 /nfs/dbraw/zinc/49/12/53/490491253.db2.gz PWVRGZGSXPPRJE-CABCVRRESA-N 3 2 354.495 0.237 20 0 FCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCSC1 ZINC000564847499 491330766 /nfs/dbraw/zinc/33/07/66/491330766.db2.gz CNIIJWMWDAVCFY-SCLBCKFNSA-N 2 2 363.483 0.670 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422893420 490493187 /nfs/dbraw/zinc/49/31/87/490493187.db2.gz QMOFGMCUWOHYFR-MRXNPFEDSA-N 2 2 359.474 0.721 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000500285355 490498896 /nfs/dbraw/zinc/49/88/96/490498896.db2.gz DMOXTZRRMIPDRP-QGZVFWFLSA-N 2 2 373.457 0.926 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(C)s1 ZINC000564853163 491331512 /nfs/dbraw/zinc/33/15/12/491331512.db2.gz ZJQUPIPGBABPEB-AWEZNQCLSA-N 2 2 361.533 0.688 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(C)s1 ZINC000564853163 491331514 /nfs/dbraw/zinc/33/15/14/491331514.db2.gz ZJQUPIPGBABPEB-AWEZNQCLSA-N 2 2 361.533 0.688 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898685 490508625 /nfs/dbraw/zinc/50/86/25/490508625.db2.gz IOTCKHOWFWGCLE-SJORKVTESA-N 2 2 369.506 0.687 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898685 490508630 /nfs/dbraw/zinc/50/86/30/490508630.db2.gz IOTCKHOWFWGCLE-SJORKVTESA-N 2 2 369.506 0.687 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980860 490509824 /nfs/dbraw/zinc/50/98/24/490509824.db2.gz RJTSYJVQQSBJOC-CADBVGFASA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980860 490509828 /nfs/dbraw/zinc/50/98/28/490509828.db2.gz RJTSYJVQQSBJOC-CADBVGFASA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980860 490509832 /nfs/dbraw/zinc/50/98/32/490509832.db2.gz RJTSYJVQQSBJOC-CADBVGFASA-N 2 2 361.486 0.753 20 0 FCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422980860 490509835 /nfs/dbraw/zinc/50/98/35/490509835.db2.gz RJTSYJVQQSBJOC-CADBVGFASA-N 2 2 361.486 0.753 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000500430005 490515255 /nfs/dbraw/zinc/51/52/55/490515255.db2.gz FOICMOVCUQQBIO-AWEZNQCLSA-N 2 2 362.478 0.215 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+](C)C1 ZINC000413921647 490518932 /nfs/dbraw/zinc/51/89/32/490518932.db2.gz OPTUKASITNTQHF-NXOAAHMSSA-N 2 2 369.506 0.683 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+](C)C1 ZINC000413921647 490518940 /nfs/dbraw/zinc/51/89/40/490518940.db2.gz OPTUKASITNTQHF-NXOAAHMSSA-N 2 2 369.506 0.683 20 0 FCADLP [NH3+]CC1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000423014349 490519570 /nfs/dbraw/zinc/51/95/70/490519570.db2.gz IAEUFCSKSROJDM-UHFFFAOYSA-N 2 2 350.488 0.590 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cc1 ZINC000485264846 490521012 /nfs/dbraw/zinc/52/10/12/490521012.db2.gz RWZCYWYQJORXNY-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[NH+]1Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cc1 ZINC000485264846 490521021 /nfs/dbraw/zinc/52/10/21/490521021.db2.gz RWZCYWYQJORXNY-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(C[NH+]2C[C@@H](CO)OC[C@@H]2C)cc1 ZINC000485264846 490521028 /nfs/dbraw/zinc/52/10/28/490521028.db2.gz RWZCYWYQJORXNY-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(C[NH+]2C[C@@H](CO)OC[C@@H]2C)cc1 ZINC000485264846 490521032 /nfs/dbraw/zinc/52/10/32/490521032.db2.gz RWZCYWYQJORXNY-JSJNYSNDSA-N 2 2 364.486 0.850 20 0 FCADLP Cc1nc(NCc2cccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2)cc[nH+]1 ZINC000548640912 490521240 /nfs/dbraw/zinc/52/12/40/490521240.db2.gz AVAVYACSRQPFAR-HNNXBMFYSA-N 2 2 369.469 1.536 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423025840 490522445 /nfs/dbraw/zinc/52/24/45/490522445.db2.gz PEWMHESHTKJLJF-INIZCTEOSA-N 2 2 360.458 0.030 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000423040334 490527445 /nfs/dbraw/zinc/52/74/45/490527445.db2.gz TXDQNMKAWQLDHG-INIZCTEOSA-N 2 2 366.506 0.014 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849848 490538391 /nfs/dbraw/zinc/53/83/91/490538391.db2.gz UZIUIVPDUDKGDO-JKSUJKDBSA-N 2 2 374.551 0.331 20 0 FCADLP CNS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849848 490538393 /nfs/dbraw/zinc/53/83/93/490538393.db2.gz UZIUIVPDUDKGDO-JKSUJKDBSA-N 2 2 374.551 0.331 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000524598325 490545969 /nfs/dbraw/zinc/54/59/69/490545969.db2.gz PZZYCEHQQIHAJC-WBVHZDCISA-N 2 2 372.535 0.214 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000524598325 490545972 /nfs/dbraw/zinc/54/59/72/490545972.db2.gz PZZYCEHQQIHAJC-WBVHZDCISA-N 2 2 372.535 0.214 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC000500762423 490549482 /nfs/dbraw/zinc/54/94/82/490549482.db2.gz GEXPSPRUGDBFJM-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC000500762423 490549483 /nfs/dbraw/zinc/54/94/83/490549483.db2.gz GEXPSPRUGDBFJM-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC000500762423 490549487 /nfs/dbraw/zinc/54/94/87/490549487.db2.gz GEXPSPRUGDBFJM-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CCC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC000500762423 490549489 /nfs/dbraw/zinc/54/94/89/490549489.db2.gz GEXPSPRUGDBFJM-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000500776376 490551169 /nfs/dbraw/zinc/55/11/69/490551169.db2.gz BEFXQUWGAFIOQI-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000500788024 490553413 /nfs/dbraw/zinc/55/34/13/490553413.db2.gz SPJFWNBLMQTGCT-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000500788024 490553416 /nfs/dbraw/zinc/55/34/16/490553416.db2.gz SPJFWNBLMQTGCT-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000564909077 491335589 /nfs/dbraw/zinc/33/55/89/491335589.db2.gz NPWTWKKBRUETIV-KRWDZBQOSA-N 2 2 355.442 0.806 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063752 490557752 /nfs/dbraw/zinc/55/77/52/490557752.db2.gz IKUZTUJXWMKCTE-HOTGVXAUSA-N 2 2 374.551 0.142 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063752 490557756 /nfs/dbraw/zinc/55/77/56/490557756.db2.gz IKUZTUJXWMKCTE-HOTGVXAUSA-N 2 2 374.551 0.142 20 0 FCADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ncn1 ZINC000536186749 490559654 /nfs/dbraw/zinc/55/96/54/490559654.db2.gz KHHXLWNUDYIKON-UHFFFAOYSA-N 2 2 374.489 0.095 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000536225302 490562643 /nfs/dbraw/zinc/56/26/43/490562643.db2.gz JONKEZCUTCNCMD-UHFFFAOYSA-N 4 2 356.559 0.147 20 0 FCADLP C[NH+](C)C1CCN(CCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000536226335 490562954 /nfs/dbraw/zinc/56/29/54/490562954.db2.gz LQWCRVOLPYOGFR-UHFFFAOYSA-N 2 2 363.510 0.263 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854844 490564962 /nfs/dbraw/zinc/56/49/62/490564962.db2.gz NCOZKXRBZTXAMZ-QAPCUYQASA-N 2 2 374.485 0.885 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854844 490564966 /nfs/dbraw/zinc/56/49/66/490564966.db2.gz NCOZKXRBZTXAMZ-QAPCUYQASA-N 2 2 374.485 0.885 20 0 FCADLP COC(=O)[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]1C(=O)OC ZINC000501012765 490568320 /nfs/dbraw/zinc/56/83/20/490568320.db2.gz XNCIYNUMIBFEEU-SJORKVTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H]1C(=O)OC ZINC000501012765 490568324 /nfs/dbraw/zinc/56/83/24/490568324.db2.gz XNCIYNUMIBFEEU-SJORKVTESA-N 2 2 369.506 0.829 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000571908091 491336910 /nfs/dbraw/zinc/33/69/10/491336910.db2.gz AGYMXPXCMZGSHH-HDICACEKSA-N 2 2 356.470 0.317 20 0 FCADLP CC[C@@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000511546553 490603480 /nfs/dbraw/zinc/60/34/80/490603480.db2.gz QDMGYRMLCBOPGD-KRWDZBQOSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000549985479 490616979 /nfs/dbraw/zinc/61/69/79/490616979.db2.gz RZGTYLMPLVGTRJ-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000549985479 490616984 /nfs/dbraw/zinc/61/69/84/490616984.db2.gz RZGTYLMPLVGTRJ-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+](C)C ZINC000549985304 490617763 /nfs/dbraw/zinc/61/77/63/490617763.db2.gz HZBCPLSKYARALQ-WMLDXEAASA-N 2 2 374.485 0.767 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+](C)C ZINC000549985304 490617767 /nfs/dbraw/zinc/61/77/67/490617767.db2.gz HZBCPLSKYARALQ-WMLDXEAASA-N 2 2 374.485 0.767 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000486401230 490619571 /nfs/dbraw/zinc/61/95/71/490619571.db2.gz WVVBXDMAZWDHFI-ZHALLVOQSA-N 2 2 361.486 0.768 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000486401230 490619576 /nfs/dbraw/zinc/61/95/76/490619576.db2.gz WVVBXDMAZWDHFI-ZHALLVOQSA-N 2 2 361.486 0.768 20 0 FCADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000550040373 490620323 /nfs/dbraw/zinc/62/03/23/490620323.db2.gz BCBMOQKOGHQNJJ-UHFFFAOYSA-N 2 2 364.515 0.993 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536933441 490623662 /nfs/dbraw/zinc/62/36/62/490623662.db2.gz YSNRUORZCKZPCX-HUUCEWRRSA-N 2 2 370.494 0.422 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443745 490625984 /nfs/dbraw/zinc/62/59/84/490625984.db2.gz UOMKAMHRECOEIJ-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000486443745 490625993 /nfs/dbraw/zinc/62/59/93/490625993.db2.gz UOMKAMHRECOEIJ-QGZVFWFLSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550108174 490626171 /nfs/dbraw/zinc/62/61/71/490626171.db2.gz IRKCTVHHGSKICB-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000486453359 490628300 /nfs/dbraw/zinc/62/83/00/490628300.db2.gz FLZKAVULMWBILD-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000486453359 490628307 /nfs/dbraw/zinc/62/83/07/490628307.db2.gz FLZKAVULMWBILD-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448409 490629190 /nfs/dbraw/zinc/62/91/90/490629190.db2.gz HLDIXRPFAJPQCP-WBVHZDCISA-N 2 2 356.470 0.860 20 0 FCADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486448409 490629195 /nfs/dbraw/zinc/62/91/95/490629195.db2.gz HLDIXRPFAJPQCP-WBVHZDCISA-N 2 2 356.470 0.860 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N[C@H]1CCOc2ccccc21 ZINC000486461154 490632439 /nfs/dbraw/zinc/63/24/39/490632439.db2.gz ONTJTIYPSTZRBO-WBVHZDCISA-N 2 2 372.469 0.523 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N[C@H]1CCOc2ccccc21 ZINC000486461154 490632441 /nfs/dbraw/zinc/63/24/41/490632441.db2.gz ONTJTIYPSTZRBO-WBVHZDCISA-N 2 2 372.469 0.523 20 0 FCADLP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459278 490633678 /nfs/dbraw/zinc/63/36/78/490633678.db2.gz KQXJOFDSLOOGFN-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486459278 490633683 /nfs/dbraw/zinc/63/36/83/490633683.db2.gz KQXJOFDSLOOGFN-GOSISDBHSA-N 2 2 358.486 0.931 20 0 FCADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486466479 490634947 /nfs/dbraw/zinc/63/49/47/490634947.db2.gz YELFQXGZORCTDF-KRWDZBQOSA-N 2 2 373.457 0.480 20 0 FCADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486466479 490634951 /nfs/dbraw/zinc/63/49/51/490634951.db2.gz YELFQXGZORCTDF-KRWDZBQOSA-N 2 2 373.457 0.480 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)C[C@H](C)O1 ZINC000564975043 491341923 /nfs/dbraw/zinc/34/19/23/491341923.db2.gz FWLYNJIPBVYSBD-MDMSPXHWSA-N 2 2 356.507 0.756 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)C[C@H](C)O1 ZINC000564975043 491341924 /nfs/dbraw/zinc/34/19/24/491341924.db2.gz FWLYNJIPBVYSBD-MDMSPXHWSA-N 2 2 356.507 0.756 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000550199148 490639917 /nfs/dbraw/zinc/63/99/17/490639917.db2.gz TUUATXSREUDCCV-INIZCTEOSA-N 2 2 366.425 0.947 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550265487 490649971 /nfs/dbraw/zinc/64/99/71/490649971.db2.gz MFPCWUIKUDXTTR-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000550294205 490656245 /nfs/dbraw/zinc/65/62/45/490656245.db2.gz CNCHWXYCPBXEQF-MRXNPFEDSA-N 2 2 357.458 0.792 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000550294205 490656250 /nfs/dbraw/zinc/65/62/50/490656250.db2.gz CNCHWXYCPBXEQF-MRXNPFEDSA-N 2 2 357.458 0.792 20 0 FCADLP O=C1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)CN1CC[NH+]1CCOCC1 ZINC000537193129 490660444 /nfs/dbraw/zinc/66/04/44/490660444.db2.gz QZZCZJLNRRIMCI-HNNXBMFYSA-N 2 2 360.449 0.239 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000550360511 490665076 /nfs/dbraw/zinc/66/50/76/490665076.db2.gz VGUFWZQSSTYPJM-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000550367362 490666048 /nfs/dbraw/zinc/66/60/48/490666048.db2.gz GYISGMQAZVMMJN-QGZVFWFLSA-N 2 2 374.485 0.721 20 0 FCADLP C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000526064520 490671664 /nfs/dbraw/zinc/67/16/64/490671664.db2.gz CTPKFSRUKLAEPZ-HFQDVCRHSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000526064520 490671665 /nfs/dbraw/zinc/67/16/65/490671665.db2.gz CTPKFSRUKLAEPZ-HFQDVCRHSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000526064520 490671668 /nfs/dbraw/zinc/67/16/68/490671668.db2.gz CTPKFSRUKLAEPZ-HFQDVCRHSA-N 2 2 362.518 0.937 20 0 FCADLP C[C@H](CC[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000526064520 490671669 /nfs/dbraw/zinc/67/16/69/490671669.db2.gz CTPKFSRUKLAEPZ-HFQDVCRHSA-N 2 2 362.518 0.937 20 0 FCADLP COCC[NH+](CCOC)C1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000512812498 490699614 /nfs/dbraw/zinc/69/96/14/490699614.db2.gz VEJZWZHXCKUHCS-UHFFFAOYSA-N 2 2 370.494 0.376 20 0 FCADLP CCNC(=O)C1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000487409746 490711552 /nfs/dbraw/zinc/71/15/52/490711552.db2.gz FIYZISFUEVHWHK-UHFFFAOYSA-N 2 2 353.511 0.618 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000502626908 490712767 /nfs/dbraw/zinc/71/27/67/490712767.db2.gz JLWZKEXEVKFDPL-CQSZACIVSA-N 2 2 362.478 0.579 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)CCC(N)=O ZINC000513209800 490714321 /nfs/dbraw/zinc/71/43/21/490714321.db2.gz LEXRTQRQFOMCOV-HNNXBMFYSA-N 2 2 362.474 0.331 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)CCC(N)=O ZINC000513209800 490714323 /nfs/dbraw/zinc/71/43/23/490714323.db2.gz LEXRTQRQFOMCOV-HNNXBMFYSA-N 2 2 362.474 0.331 20 0 FCADLP [NH3+]C1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCOCC1 ZINC000513229627 490715334 /nfs/dbraw/zinc/71/53/34/490715334.db2.gz BVRRMYUKRIMHCI-INIZCTEOSA-N 2 2 363.458 0.078 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)(C)C[NH+](C)C ZINC000513463200 490731361 /nfs/dbraw/zinc/73/13/61/490731361.db2.gz JYSQOCHAMGVPEI-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000513499131 490735689 /nfs/dbraw/zinc/73/56/89/490735689.db2.gz LDHVNUKNKLYHJW-LSDHHAIUSA-N 2 2 356.511 0.258 20 0 FCADLP CC(C)(C)n1ncnc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000503110634 490738902 /nfs/dbraw/zinc/73/89/02/490738902.db2.gz NYTHOLAERULKMY-UHFFFAOYSA-N 2 2 350.511 0.919 20 0 FCADLP CO[C@H]1C[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1OC ZINC000488033690 490742589 /nfs/dbraw/zinc/74/25/89/490742589.db2.gz JUKJLHLGHDHBAI-ROUUACIJSA-N 2 2 363.458 0.803 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)cc2C1 ZINC000503255200 490747495 /nfs/dbraw/zinc/74/74/95/490747495.db2.gz PFUOZETXODXXPK-UHFFFAOYSA-N 2 2 368.441 0.638 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)cc2C1 ZINC000503255200 490747498 /nfs/dbraw/zinc/74/74/98/490747498.db2.gz PFUOZETXODXXPK-UHFFFAOYSA-N 2 2 368.441 0.638 20 0 FCADLP CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000513806237 490748486 /nfs/dbraw/zinc/74/84/86/490748486.db2.gz FVRVSNRYZWDRKJ-IAGOWNOFSA-N 2 2 353.507 0.981 20 0 FCADLP CC(C)(C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000513806236 490748565 /nfs/dbraw/zinc/74/85/65/490748565.db2.gz FVRVSNRYZWDRKJ-DLBZAZTESA-N 2 2 353.507 0.981 20 0 FCADLP CCOCCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000539147993 490764971 /nfs/dbraw/zinc/76/49/71/490764971.db2.gz SOAQTIQSTFDNFF-IRXDYDNUSA-N 2 2 371.522 0.729 20 0 FCADLP C[C@H](c1nccs1)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514186293 490765666 /nfs/dbraw/zinc/76/56/66/490765666.db2.gz JKIDHNJVJIVVPF-OAHLLOKOSA-N 2 2 351.520 0.986 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000572175954 491354002 /nfs/dbraw/zinc/35/40/02/491354002.db2.gz YGNFGWDRECUBML-SFHVURJKSA-N 2 2 365.474 0.982 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000572175954 491354004 /nfs/dbraw/zinc/35/40/04/491354004.db2.gz YGNFGWDRECUBML-SFHVURJKSA-N 2 2 365.474 0.982 20 0 FCADLP CCc1cc(N2CCC(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2)ncn1 ZINC000557190200 491358889 /nfs/dbraw/zinc/35/88/89/491358889.db2.gz LMSIHZFVXSJNPX-MRXNPFEDSA-N 2 2 361.494 0.292 20 0 FCADLP CCc1cc(N2CCC(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2)ncn1 ZINC000557190200 491358890 /nfs/dbraw/zinc/35/88/90/491358890.db2.gz LMSIHZFVXSJNPX-MRXNPFEDSA-N 2 2 361.494 0.292 20 0 FCADLP C[C@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000488779874 490775522 /nfs/dbraw/zinc/77/55/22/490775522.db2.gz GJPBCACZOZUIIR-HNNXBMFYSA-N 2 2 358.486 0.955 20 0 FCADLP C[C@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000488779874 490775525 /nfs/dbraw/zinc/77/55/25/490775525.db2.gz GJPBCACZOZUIIR-HNNXBMFYSA-N 2 2 358.486 0.955 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000539320705 490776475 /nfs/dbraw/zinc/77/64/75/490776475.db2.gz WEENUPTYXQZOFG-HZPDHXFCSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000557122235 491354699 /nfs/dbraw/zinc/35/46/99/491354699.db2.gz QPJODALUUAEJRW-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851629 490778582 /nfs/dbraw/zinc/77/85/82/490778582.db2.gz JIZKLBNKFNMNQP-BSDSXHPESA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488851629 490778587 /nfs/dbraw/zinc/77/85/87/490778587.db2.gz JIZKLBNKFNMNQP-BSDSXHPESA-N 2 2 351.539 0.994 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000514668510 490779408 /nfs/dbraw/zinc/77/94/08/490779408.db2.gz HPBRMKGQNHIKCC-OAHLLOKOSA-N 2 2 355.504 0.768 20 0 FCADLP COC(=O)c1occc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000539703671 490792519 /nfs/dbraw/zinc/79/25/19/490792519.db2.gz NNKKSKKTVZZJNK-CQSZACIVSA-N 2 2 351.403 0.089 20 0 FCADLP CC(C)C[C@H]1C(=O)NCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000514917934 490797304 /nfs/dbraw/zinc/79/73/04/490797304.db2.gz JIZRIDYCMNAVEI-KRWDZBQOSA-N 2 2 367.538 0.959 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCCC(=O)N2CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000557144684 491356756 /nfs/dbraw/zinc/35/67/56/491356756.db2.gz OQSAWIOHTZRGLB-MRXNPFEDSA-N 2 2 359.474 0.640 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCCC(=O)N2CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000557144684 491356759 /nfs/dbraw/zinc/35/67/59/491356759.db2.gz OQSAWIOHTZRGLB-MRXNPFEDSA-N 2 2 359.474 0.640 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154451 491357034 /nfs/dbraw/zinc/35/70/34/491357034.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 3 2 359.518 0.835 20 0 FCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154451 491357036 /nfs/dbraw/zinc/35/70/36/491357036.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154451 491357037 /nfs/dbraw/zinc/35/70/37/491357037.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 3 2 359.518 0.835 20 0 FCADLP C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000557154451 491357039 /nfs/dbraw/zinc/35/70/39/491357039.db2.gz KNFZCQGINFDMGE-RBUKOAKNSA-N 3 2 359.518 0.835 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000515049585 490805282 /nfs/dbraw/zinc/80/52/82/490805282.db2.gz LEPPTEVOSKMKDJ-IXDOHACOSA-N 2 2 366.506 0.347 20 0 FCADLP COCC[NH+]1CCC([NH2+]CCS(=O)(=O)NCc2ccccc2)CC1 ZINC000540166437 490809165 /nfs/dbraw/zinc/80/91/65/490809165.db2.gz XNGRCUIQDQGEKT-UHFFFAOYSA-N 2 2 355.504 0.806 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000557162627 491357398 /nfs/dbraw/zinc/35/73/98/491357398.db2.gz NZYHTRGSNKDEIF-KRWDZBQOSA-N 2 2 354.520 0.803 20 0 FCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515187272 490812503 /nfs/dbraw/zinc/81/25/03/490812503.db2.gz VXVCBSCAVMISSI-DLBZAZTESA-N 2 2 373.501 0.121 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)CC1 ZINC000515214973 490813521 /nfs/dbraw/zinc/81/35/21/490813521.db2.gz HFDJIZWFJZITGM-IBGZPJMESA-N 2 2 361.486 0.880 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)CC1 ZINC000515214974 490813639 /nfs/dbraw/zinc/81/36/39/490813639.db2.gz HFDJIZWFJZITGM-LJQANCHMSA-N 2 2 361.486 0.880 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000528682039 490818980 /nfs/dbraw/zinc/81/89/80/490818980.db2.gz VRAKCTJVYVTHDW-MRXNPFEDSA-N 2 2 350.467 0.677 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515413107 490824960 /nfs/dbraw/zinc/82/49/60/490824960.db2.gz HXCSJPBSKTVNEY-HOTGVXAUSA-N 2 2 362.499 0.603 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000540575510 490828745 /nfs/dbraw/zinc/82/87/45/490828745.db2.gz SOMJUJZCVACZNQ-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000540575510 490828747 /nfs/dbraw/zinc/82/87/47/490828747.db2.gz SOMJUJZCVACZNQ-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000540575510 490828751 /nfs/dbraw/zinc/82/87/51/490828751.db2.gz SOMJUJZCVACZNQ-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCNC3=O)CC2)cc1 ZINC000540575510 490828753 /nfs/dbraw/zinc/82/87/53/490828753.db2.gz SOMJUJZCVACZNQ-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP CN1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000557193207 491358596 /nfs/dbraw/zinc/35/85/96/491358596.db2.gz HADIYNDFIDLJGQ-WFASDCNBSA-N 2 2 355.433 0.852 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1)[NH+]1CCSCC1 ZINC000516109451 490851789 /nfs/dbraw/zinc/85/17/89/490851789.db2.gz HUDPIVAHESMUKR-UKRRQHHQSA-N 2 2 354.520 0.235 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000541569334 490866182 /nfs/dbraw/zinc/86/61/82/490866182.db2.gz VUVMJHYNAUJXPV-HNNXBMFYSA-N 2 2 352.460 0.739 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000516554236 490867527 /nfs/dbraw/zinc/86/75/27/490867527.db2.gz HOJCTLOMIZLCDQ-DOTOQJQBSA-N 2 2 356.536 0.883 20 0 FCADLP CCN1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000516555100 490868178 /nfs/dbraw/zinc/86/81/78/490868178.db2.gz SMMNQBDOLAWOBF-HNNXBMFYSA-N 2 2 364.494 0.814 20 0 FCADLP C[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCN(C)CC1 ZINC000541750272 490871109 /nfs/dbraw/zinc/87/11/09/490871109.db2.gz FDXXXPGPEWQGQG-GOSISDBHSA-N 2 2 365.566 0.498 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000565238284 491363164 /nfs/dbraw/zinc/36/31/64/491363164.db2.gz GCDWMKIVEZMSFN-ZWKOTPCHSA-N 2 2 374.485 0.472 20 0 FCADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000565238284 491363168 /nfs/dbraw/zinc/36/31/68/491363168.db2.gz GCDWMKIVEZMSFN-ZWKOTPCHSA-N 2 2 374.485 0.472 20 0 FCADLP O=C1NC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1=O ZINC000517016034 490891186 /nfs/dbraw/zinc/89/11/86/490891186.db2.gz QUUOOVBNLNKUGI-SFHVURJKSA-N 2 2 356.470 0.815 20 0 FCADLP O=C1NC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2C1=O ZINC000517016034 490891187 /nfs/dbraw/zinc/89/11/87/490891187.db2.gz QUUOOVBNLNKUGI-SFHVURJKSA-N 2 2 356.470 0.815 20 0 FCADLP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCn3cc[nH+]c3C2)cc1F ZINC000572280361 491359944 /nfs/dbraw/zinc/35/99/44/491359944.db2.gz SKTUGSSGXRWLAQ-UHFFFAOYSA-N 2 2 359.405 0.742 20 0 FCADLP O=C(CC1CC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000517137975 490896308 /nfs/dbraw/zinc/89/63/08/490896308.db2.gz SCQOUMYEWKFMNQ-UHFFFAOYSA-N 2 2 374.489 0.352 20 0 FCADLP O=C(CC1CC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000517137975 490896310 /nfs/dbraw/zinc/89/63/10/490896310.db2.gz SCQOUMYEWKFMNQ-UHFFFAOYSA-N 2 2 374.489 0.352 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000517249636 490901358 /nfs/dbraw/zinc/90/13/58/490901358.db2.gz NLAQTIYBQJTAMB-CABCVRRESA-N 2 2 354.495 0.202 20 0 FCADLP COCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000517331930 490903965 /nfs/dbraw/zinc/90/39/65/490903965.db2.gz WTFJAOYJNQBHRD-UHFFFAOYSA-N 2 2 364.494 0.358 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000557265320 491363949 /nfs/dbraw/zinc/36/39/49/491363949.db2.gz ZAWTXIIOYNVEEP-BHYGNILZSA-N 2 2 366.506 0.332 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180290 490923939 /nfs/dbraw/zinc/92/39/39/490923939.db2.gz ORNHDWYMGPMOBA-ZCNNSNEGSA-N 2 2 373.497 0.838 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000543180290 490923943 /nfs/dbraw/zinc/92/39/43/490923943.db2.gz ORNHDWYMGPMOBA-ZCNNSNEGSA-N 2 2 373.497 0.838 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000518745071 490950121 /nfs/dbraw/zinc/95/01/21/490950121.db2.gz YELFVOCWQTUIPJ-KGLIPLIRSA-N 2 2 359.474 0.919 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000518745071 490950123 /nfs/dbraw/zinc/95/01/23/490950123.db2.gz YELFVOCWQTUIPJ-KGLIPLIRSA-N 2 2 359.474 0.919 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000518763846 490950471 /nfs/dbraw/zinc/95/04/71/490950471.db2.gz AVNUNAZAIYXWEP-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572376801 491366302 /nfs/dbraw/zinc/36/63/02/491366302.db2.gz UMYGJNNFPASJIT-MRXNPFEDSA-N 2 2 371.441 0.986 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000519121310 490962247 /nfs/dbraw/zinc/96/22/47/490962247.db2.gz XXIWWKRIANHTSF-PMPSAXMXSA-N 2 2 354.495 0.380 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531705806 490971226 /nfs/dbraw/zinc/97/12/26/490971226.db2.gz ZOAJMUMXHSCXMF-KRWDZBQOSA-N 2 2 360.506 0.978 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531705806 490971227 /nfs/dbraw/zinc/97/12/27/490971227.db2.gz ZOAJMUMXHSCXMF-KRWDZBQOSA-N 2 2 360.506 0.978 20 0 FCADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000519532709 490974180 /nfs/dbraw/zinc/97/41/80/490974180.db2.gz DZHRCYNZZRCCHF-HRCADAONSA-N 2 2 357.458 0.235 20 0 FCADLP [NH3+]C1(c2noc([C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)CCCCC1 ZINC000519639665 490981049 /nfs/dbraw/zinc/98/10/49/490981049.db2.gz BCZLLMOWRSCERN-AWEZNQCLSA-N 2 2 363.462 0.836 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000519690936 490984289 /nfs/dbraw/zinc/98/42/89/490984289.db2.gz PTNHFOVNPKKDGQ-ZFWWWQNUSA-N 2 2 372.477 0.712 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000519710872 490985967 /nfs/dbraw/zinc/98/59/67/490985967.db2.gz IDTGATAEMNZBBM-HNNXBMFYSA-N 2 2 350.467 0.213 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000519748510 490987697 /nfs/dbraw/zinc/98/76/97/490987697.db2.gz RHCQNJZYZABQQV-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000519748510 490987699 /nfs/dbraw/zinc/98/76/99/490987699.db2.gz RHCQNJZYZABQQV-CVEARBPZSA-N 2 2 365.522 0.713 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000532348788 490991421 /nfs/dbraw/zinc/99/14/21/490991421.db2.gz MBSONKXTDBUCEH-ROUUACIJSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)C2)CC1 ZINC000532348788 490991422 /nfs/dbraw/zinc/99/14/22/490991422.db2.gz MBSONKXTDBUCEH-ROUUACIJSA-N 2 2 367.538 0.517 20 0 FCADLP CN(C(=O)CCCN1C(=O)CCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476773 491926073 /nfs/dbraw/zinc/92/60/73/491926073.db2.gz IQBNAILGZUFOKT-MRXNPFEDSA-N 2 2 364.490 0.543 20 0 FCADLP CN(C(=O)CCCN1C(=O)CCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476773 491926074 /nfs/dbraw/zinc/92/60/74/491926074.db2.gz IQBNAILGZUFOKT-MRXNPFEDSA-N 2 2 364.490 0.543 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000668348050 493335457 /nfs/dbraw/zinc/33/54/57/493335457.db2.gz LEGAGPLUGZZDQU-ZWKOTPCHSA-N 2 2 374.485 0.339 20 0 FCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000554199920 491183354 /nfs/dbraw/zinc/18/33/54/491183354.db2.gz OQKZCYLREYSEKU-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000554199920 491183357 /nfs/dbraw/zinc/18/33/57/491183357.db2.gz OQKZCYLREYSEKU-IAGOWNOFSA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000554232343 491186521 /nfs/dbraw/zinc/18/65/21/491186521.db2.gz IBIKKUATJFOPSP-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000554232343 491186522 /nfs/dbraw/zinc/18/65/22/491186522.db2.gz IBIKKUATJFOPSP-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569743585 491187431 /nfs/dbraw/zinc/18/74/31/491187431.db2.gz AEWKBGGSPSAMMG-ZBFHGGJFSA-N 2 2 363.462 0.195 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569743585 491187433 /nfs/dbraw/zinc/18/74/33/491187433.db2.gz AEWKBGGSPSAMMG-ZBFHGGJFSA-N 2 2 363.462 0.195 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CCN2C1=O ZINC000572499167 491374232 /nfs/dbraw/zinc/37/42/32/491374232.db2.gz ZNAROFLKNUHZBI-CABCVRRESA-N 2 2 358.446 0.135 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000557549817 491381476 /nfs/dbraw/zinc/38/14/76/491381476.db2.gz LABPPLCGNJHZKB-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000572717789 491388724 /nfs/dbraw/zinc/38/87/24/491388724.db2.gz COSTYYFSKVIPDF-ZBFHGGJFSA-N 2 2 374.489 0.539 20 0 FCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000572717789 491388726 /nfs/dbraw/zinc/38/87/26/491388726.db2.gz COSTYYFSKVIPDF-ZBFHGGJFSA-N 2 2 374.489 0.539 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000557704734 491392278 /nfs/dbraw/zinc/39/22/78/491392278.db2.gz JVVVEULLLMBTSE-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000557743308 491395524 /nfs/dbraw/zinc/39/55/24/491395524.db2.gz WERZMECVYQJTQB-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000557743308 491395526 /nfs/dbraw/zinc/39/55/26/491395526.db2.gz WERZMECVYQJTQB-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC000557743308 491395527 /nfs/dbraw/zinc/39/55/27/491395527.db2.gz WERZMECVYQJTQB-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC000557743308 491395529 /nfs/dbraw/zinc/39/55/29/491395529.db2.gz WERZMECVYQJTQB-HOTGVXAUSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)[C@@H](C[NH3+])C1 ZINC000565881774 491405018 /nfs/dbraw/zinc/40/50/18/491405018.db2.gz URIQOYQTYUYKFJ-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP C[N@H+]1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)[C@@H](C[NH3+])C1 ZINC000565881774 491405020 /nfs/dbraw/zinc/40/50/20/491405020.db2.gz URIQOYQTYUYKFJ-LBPRGKRZSA-N 2 2 361.368 0.807 20 0 FCADLP COc1ccc([C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2nccn2C)cc1 ZINC000566107207 491417809 /nfs/dbraw/zinc/41/78/09/491417809.db2.gz GVPAMWYYBDUSGL-PKOBYXMFSA-N 2 2 373.501 0.716 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000558228247 491421361 /nfs/dbraw/zinc/42/13/61/491421361.db2.gz HMKMIRSHJHYKKF-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000566169295 491422327 /nfs/dbraw/zinc/42/23/27/491422327.db2.gz BHXGVFILCAQJCK-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000573342724 491427722 /nfs/dbraw/zinc/42/77/22/491427722.db2.gz BOYJZRQPZODATC-HNNXBMFYSA-N 2 2 359.474 0.851 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000573342724 491427724 /nfs/dbraw/zinc/42/77/24/491427724.db2.gz BOYJZRQPZODATC-HNNXBMFYSA-N 2 2 359.474 0.851 20 0 FCADLP O=C(CC[NH2+]C1CC1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000573338639 491427738 /nfs/dbraw/zinc/42/77/38/491427738.db2.gz UBXODVSDBWKPCY-UHFFFAOYSA-N 2 2 360.458 0.829 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000573429387 491432678 /nfs/dbraw/zinc/43/26/78/491432678.db2.gz CGXBNIZGXJDSKS-KSSFIOAISA-N 2 2 351.495 0.370 20 0 FCADLP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000566378508 491439957 /nfs/dbraw/zinc/43/99/57/491439957.db2.gz AQGJCQZTFDDCEJ-INIZCTEOSA-N 2 2 363.462 0.101 20 0 FCADLP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000566378509 491440117 /nfs/dbraw/zinc/44/01/17/491440117.db2.gz AQGJCQZTFDDCEJ-MRXNPFEDSA-N 2 2 363.462 0.101 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000566391545 491440860 /nfs/dbraw/zinc/44/08/60/491440860.db2.gz IMJTYMYTFSSWAM-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000566391545 491440862 /nfs/dbraw/zinc/44/08/62/491440862.db2.gz IMJTYMYTFSSWAM-IRXDYDNUSA-N 2 2 368.522 0.402 20 0 FCADLP CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000566424249 491442889 /nfs/dbraw/zinc/44/28/89/491442889.db2.gz VXNKIWWMRQZSNL-QZTJIDSGSA-N 2 2 361.486 0.884 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)C1 ZINC000573673007 491447430 /nfs/dbraw/zinc/44/74/30/491447430.db2.gz XVYWQWJYDVXSOZ-SCTDSRPQSA-N 2 2 366.550 0.564 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C1 ZINC000573673007 491447432 /nfs/dbraw/zinc/44/74/32/491447432.db2.gz XVYWQWJYDVXSOZ-SCTDSRPQSA-N 2 2 366.550 0.564 20 0 FCADLP C[NH+]1CCC(n2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)n2)CC1 ZINC000559238216 491457686 /nfs/dbraw/zinc/45/76/86/491457686.db2.gz MYEPTGHGJDJNJR-UHFFFAOYSA-N 2 2 352.402 1.378 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCCN(CCO)C3=O)c2cc1C ZINC000573920671 491463009 /nfs/dbraw/zinc/46/30/09/491463009.db2.gz SWTCFAZMGNONJE-JKSUJKDBSA-N 2 2 360.458 0.587 20 0 FCADLP CC1(C)CC(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000559327728 491464845 /nfs/dbraw/zinc/46/48/45/491464845.db2.gz DIMDADJPBLNNLB-UHFFFAOYSA-N 2 2 368.522 0.639 20 0 FCADLP CC1(C)CC(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000559327728 491464848 /nfs/dbraw/zinc/46/48/48/491464848.db2.gz DIMDADJPBLNNLB-UHFFFAOYSA-N 2 2 368.522 0.639 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559330575 491465033 /nfs/dbraw/zinc/46/50/33/491465033.db2.gz WMMXNYMJZDYKIQ-CYBMUJFWSA-N 2 2 354.495 0.249 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559330575 491465036 /nfs/dbraw/zinc/46/50/36/491465036.db2.gz WMMXNYMJZDYKIQ-CYBMUJFWSA-N 2 2 354.495 0.249 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559330576 491465250 /nfs/dbraw/zinc/46/52/50/491465250.db2.gz WMMXNYMJZDYKIQ-ZDUSSCGKSA-N 2 2 354.495 0.249 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559330576 491465253 /nfs/dbraw/zinc/46/52/53/491465253.db2.gz WMMXNYMJZDYKIQ-ZDUSSCGKSA-N 2 2 354.495 0.249 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000559362565 491467354 /nfs/dbraw/zinc/46/73/54/491467354.db2.gz DVAXIILCPGEJPO-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000559389275 491469710 /nfs/dbraw/zinc/46/97/10/491469710.db2.gz TVIRLMIPPFUQAG-GJZGRUSLSA-N 2 2 371.441 0.860 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000559411092 491470638 /nfs/dbraw/zinc/47/06/38/491470638.db2.gz HPBBVNFAJSWWJI-SJORKVTESA-N 2 2 369.469 0.603 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000559411090 491470656 /nfs/dbraw/zinc/47/06/56/491470656.db2.gz HPBBVNFAJSWWJI-IAGOWNOFSA-N 2 2 369.469 0.603 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000566874045 491472544 /nfs/dbraw/zinc/47/25/44/491472544.db2.gz XWZNJDSQEDVXBK-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000566874045 491472546 /nfs/dbraw/zinc/47/25/46/491472546.db2.gz XWZNJDSQEDVXBK-XHSDSOJGSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000566970598 491478447 /nfs/dbraw/zinc/47/84/47/491478447.db2.gz AIBPTSOLWTYIHF-MRXNPFEDSA-N 2 2 374.489 0.352 20 0 FCADLP O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000566970598 491478450 /nfs/dbraw/zinc/47/84/50/491478450.db2.gz AIBPTSOLWTYIHF-MRXNPFEDSA-N 2 2 374.489 0.352 20 0 FCADLP COCCn1cc2c(n1)[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000566969947 491478496 /nfs/dbraw/zinc/47/84/96/491478496.db2.gz SYUZUZGQBFJZRK-IAGOWNOFSA-N 2 2 351.495 0.105 20 0 FCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000567028604 491481414 /nfs/dbraw/zinc/48/14/14/491481414.db2.gz NKGQDKTWDNNKKO-UHFFFAOYSA-N 2 2 370.519 0.725 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000574222916 491482437 /nfs/dbraw/zinc/48/24/37/491482437.db2.gz OIPVBIJNVQXZST-UHFFFAOYSA-N 2 2 366.506 0.300 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000559636010 491488240 /nfs/dbraw/zinc/48/82/40/491488240.db2.gz DTZDXSQJIIEPEW-GOEBONIOSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000559749106 491495499 /nfs/dbraw/zinc/49/54/99/491495499.db2.gz RJNPCNBMSBNWBO-ZFWWWQNUSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000559749106 491495501 /nfs/dbraw/zinc/49/55/01/491495501.db2.gz RJNPCNBMSBNWBO-ZFWWWQNUSA-N 2 2 368.503 0.304 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000559754948 491496076 /nfs/dbraw/zinc/49/60/76/491496076.db2.gz GNVFOQAWKUOFHH-HUUCEWRRSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000559754949 491496089 /nfs/dbraw/zinc/49/60/89/491496089.db2.gz GNVFOQAWKUOFHH-LSDHHAIUSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000559763201 491497795 /nfs/dbraw/zinc/49/77/95/491497795.db2.gz IDCJDWPILSBODL-UHFFFAOYSA-N 2 2 370.497 0.858 20 0 FCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000559763201 491497798 /nfs/dbraw/zinc/49/77/98/491497798.db2.gz IDCJDWPILSBODL-UHFFFAOYSA-N 2 2 370.497 0.858 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766773 491498389 /nfs/dbraw/zinc/49/83/89/491498389.db2.gz KUCICUZFVUMMRJ-RHSMWYFYSA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000559766773 491498393 /nfs/dbraw/zinc/49/83/93/491498393.db2.gz KUCICUZFVUMMRJ-RHSMWYFYSA-N 2 2 352.504 0.547 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000559785557 491499815 /nfs/dbraw/zinc/49/98/15/491499815.db2.gz ZUEWRTBZIIVVGR-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000559785557 491499818 /nfs/dbraw/zinc/49/98/18/491499818.db2.gz ZUEWRTBZIIVVGR-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+]1CCC(O)(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000574489641 491500058 /nfs/dbraw/zinc/50/00/58/491500058.db2.gz NQXJUOIWPZNLPP-UHFFFAOYSA-N 2 2 363.462 0.174 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000574504211 491501028 /nfs/dbraw/zinc/50/10/28/491501028.db2.gz VFTIOKRVOTVHPE-QGZVFWFLSA-N 3 2 367.538 0.553 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000574504211 491501030 /nfs/dbraw/zinc/50/10/30/491501030.db2.gz VFTIOKRVOTVHPE-QGZVFWFLSA-N 3 2 367.538 0.553 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000559932516 491511076 /nfs/dbraw/zinc/51/10/76/491511076.db2.gz NUOWKNHVAFWJQH-HIFRSBDPSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000559932516 491511079 /nfs/dbraw/zinc/51/10/79/491511079.db2.gz NUOWKNHVAFWJQH-HIFRSBDPSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000559932517 491511191 /nfs/dbraw/zinc/51/11/91/491511191.db2.gz NUOWKNHVAFWJQH-UKRRQHHQSA-N 2 2 359.474 0.620 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000559932517 491511192 /nfs/dbraw/zinc/51/11/92/491511192.db2.gz NUOWKNHVAFWJQH-UKRRQHHQSA-N 2 2 359.474 0.620 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000574657037 491511254 /nfs/dbraw/zinc/51/12/54/491511254.db2.gz VLCKJLKDYLPDSB-QGZVFWFLSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023812 491516013 /nfs/dbraw/zinc/51/60/13/491516013.db2.gz FNAMNKLGJPEUFJ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023812 491516014 /nfs/dbraw/zinc/51/60/14/491516014.db2.gz FNAMNKLGJPEUFJ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023812 491516015 /nfs/dbraw/zinc/51/60/15/491516015.db2.gz FNAMNKLGJPEUFJ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000560023812 491516016 /nfs/dbraw/zinc/51/60/16/491516016.db2.gz FNAMNKLGJPEUFJ-YYIAUSFCSA-N 2 2 366.506 0.297 20 0 FCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000574741501 491517133 /nfs/dbraw/zinc/51/71/33/491517133.db2.gz NGCKBILKNJNRAG-HOCLYGCPSA-N 2 2 362.478 0.433 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCNC(=O)C3CC3)CC2)CC1 ZINC000567603718 491517551 /nfs/dbraw/zinc/51/75/51/491517551.db2.gz JGXUEGRPFPOSRU-UHFFFAOYSA-N 2 2 365.522 0.714 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCNC(=O)C3CC3)CC2)CC1 ZINC000567603718 491517552 /nfs/dbraw/zinc/51/75/52/491517552.db2.gz JGXUEGRPFPOSRU-UHFFFAOYSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000560299322 491529197 /nfs/dbraw/zinc/52/91/97/491529197.db2.gz KWEZEPBLLFBAGM-CABCVRRESA-N 2 2 368.522 0.591 20 0 FCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000560300173 491529712 /nfs/dbraw/zinc/52/97/12/491529712.db2.gz JLNINGPKYOCBEG-HNNXBMFYSA-N 2 2 365.478 0.083 20 0 FCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000560300173 491529713 /nfs/dbraw/zinc/52/97/13/491529713.db2.gz JLNINGPKYOCBEG-HNNXBMFYSA-N 2 2 365.478 0.083 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000560309067 491530225 /nfs/dbraw/zinc/53/02/25/491530225.db2.gz RVVYNWXIEXZPRS-CABCVRRESA-N 2 2 351.451 0.005 20 0 FCADLP Cc1cc(C)cc(OCC(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000574989785 491532214 /nfs/dbraw/zinc/53/22/14/491532214.db2.gz LHYODXFHZXTYNY-UHFFFAOYSA-N 2 2 360.502 0.732 20 0 FCADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)cc2)[nH]1 ZINC000567835969 491533489 /nfs/dbraw/zinc/53/34/89/491533489.db2.gz UNOYXAPTZWJGJG-ZDUSSCGKSA-N 2 2 357.418 0.127 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000567901686 491540002 /nfs/dbraw/zinc/54/00/02/491540002.db2.gz BYBGBJVSACOSDM-HIFRSBDPSA-N 2 2 353.488 0.831 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000575170784 491543291 /nfs/dbraw/zinc/54/32/91/491543291.db2.gz CFJYLVJPAGSJOX-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000575170784 491543293 /nfs/dbraw/zinc/54/32/93/491543293.db2.gz CFJYLVJPAGSJOX-HNNXBMFYSA-N 2 2 350.467 0.773 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C[C@H](O)C[NH3+] ZINC000567990306 491545417 /nfs/dbraw/zinc/54/54/17/491545417.db2.gz RNKSOYFLXHFDFP-CYBMUJFWSA-N 2 2 372.872 0.375 20 0 FCADLP C[N@H+](CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)C[C@H](O)C[NH3+] ZINC000567990306 491545420 /nfs/dbraw/zinc/54/54/20/491545420.db2.gz RNKSOYFLXHFDFP-CYBMUJFWSA-N 2 2 372.872 0.375 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000560653889 491550203 /nfs/dbraw/zinc/55/02/03/491550203.db2.gz JSFGFQGDBSIHMZ-GOSISDBHSA-N 2 2 370.497 0.992 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000560653889 491550204 /nfs/dbraw/zinc/55/02/04/491550204.db2.gz JSFGFQGDBSIHMZ-GOSISDBHSA-N 2 2 370.497 0.992 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568057693 491550707 /nfs/dbraw/zinc/55/07/07/491550707.db2.gz MQUGVQLAGVRTCA-JKSUJKDBSA-N 2 2 371.485 0.910 20 0 FCADLP CSC1(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[NH+](C)CC1 ZINC000575378604 491551892 /nfs/dbraw/zinc/55/18/92/491551892.db2.gz ZFTURHSYYSCSAO-HNNXBMFYSA-N 2 2 357.568 0.749 20 0 FCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000568086467 491552560 /nfs/dbraw/zinc/55/25/60/491552560.db2.gz ZOWDPMIIHALJCS-ZBFHGGJFSA-N 2 2 351.495 0.452 20 0 FCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000568086467 491552562 /nfs/dbraw/zinc/55/25/62/491552562.db2.gz ZOWDPMIIHALJCS-ZBFHGGJFSA-N 2 2 351.495 0.452 20 0 FCADLP C[C@H](CC[NH+]1CCSC[C@H]1C(N)=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000560709759 491552799 /nfs/dbraw/zinc/55/27/99/491552799.db2.gz MMIDUAYCWBZRCP-BTTYYORXSA-N 2 2 374.576 0.208 20 0 FCADLP C[C@@H](CC[NH+]1CCSC[C@@H]1C(N)=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000560709759 491552802 /nfs/dbraw/zinc/55/28/02/491552802.db2.gz MMIDUAYCWBZRCP-BTTYYORXSA-N 2 2 374.576 0.208 20 0 FCADLP C[C@@H](CC[NH+]1CCSC[C@@H]1C(N)=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000560709759 491552803 /nfs/dbraw/zinc/55/28/03/491552803.db2.gz MMIDUAYCWBZRCP-BTTYYORXSA-N 2 2 374.576 0.208 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560778803 491557339 /nfs/dbraw/zinc/55/73/39/491557339.db2.gz YAAHAIIYJIGFPG-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000560778803 491557340 /nfs/dbraw/zinc/55/73/40/491557340.db2.gz YAAHAIIYJIGFPG-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000575740570 491557498 /nfs/dbraw/zinc/55/74/98/491557498.db2.gz CLTSFUMEZLEUMN-QLFBSQMISA-N 2 2 361.442 0.342 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000575740570 491557500 /nfs/dbraw/zinc/55/75/00/491557500.db2.gz CLTSFUMEZLEUMN-QLFBSQMISA-N 2 2 361.442 0.342 20 0 FCADLP COc1ccccc1N1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000568231827 491561906 /nfs/dbraw/zinc/56/19/06/491561906.db2.gz PHZNXTZYAWGAGR-ZIAGYGMSSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccccc1N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000568231827 491561908 /nfs/dbraw/zinc/56/19/08/491561908.db2.gz PHZNXTZYAWGAGR-ZIAGYGMSSA-N 2 2 361.446 0.085 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000568268554 491565598 /nfs/dbraw/zinc/56/55/98/491565598.db2.gz ZHKZYCLFOKGDRJ-CGTJXYLNSA-N 2 2 374.485 0.514 20 0 FCADLP C[C@H](OCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1 ZINC000568268554 491565599 /nfs/dbraw/zinc/56/55/99/491565599.db2.gz ZHKZYCLFOKGDRJ-CGTJXYLNSA-N 2 2 374.485 0.514 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000575898680 491568614 /nfs/dbraw/zinc/56/86/14/491568614.db2.gz YFBMXCLGVFHMTQ-ZWKOTPCHSA-N 2 2 362.474 0.565 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC000575898680 491568615 /nfs/dbraw/zinc/56/86/15/491568615.db2.gz YFBMXCLGVFHMTQ-ZWKOTPCHSA-N 2 2 362.474 0.565 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000575901185 491568818 /nfs/dbraw/zinc/56/88/18/491568818.db2.gz HEZIUUYNXUYCMW-JKSUJKDBSA-N 2 2 359.474 0.333 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000575896650 491568917 /nfs/dbraw/zinc/56/89/17/491568917.db2.gz UUCRACXDMBMNRU-UHFFFAOYSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000575916463 491569554 /nfs/dbraw/zinc/56/95/54/491569554.db2.gz IXWSNIYWECGHMI-LZWOXQAQSA-N 2 2 356.488 0.650 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000575914091 491569932 /nfs/dbraw/zinc/56/99/32/491569932.db2.gz AYHRKAYNUXXXIY-OAHLLOKOSA-N 2 2 350.488 0.603 20 0 FCADLP Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cccc1S(=O)(=O)N(C)C ZINC000561034458 491571501 /nfs/dbraw/zinc/57/15/01/491571501.db2.gz HTUVGOGMLMHTQQ-CYBMUJFWSA-N 2 2 369.491 0.352 20 0 FCADLP CN1CC[NH+](Cc2cccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000575985013 491573734 /nfs/dbraw/zinc/57/37/34/491573734.db2.gz WEMQNBGCVWCHSQ-QGZVFWFLSA-N 2 2 359.474 0.241 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000576054280 491578940 /nfs/dbraw/zinc/57/89/40/491578940.db2.gz XSCDGMNFVFRRDC-INIZCTEOSA-N 2 2 372.473 0.600 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000576057885 491579443 /nfs/dbraw/zinc/57/94/43/491579443.db2.gz QFBOKGYSAJDRBP-HNNXBMFYSA-N 2 2 370.457 0.564 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000576130514 491583758 /nfs/dbraw/zinc/58/37/58/491583758.db2.gz XPRJBADPOQROII-UONOGXRCSA-N 2 2 360.462 0.683 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CC(=O)N(C)C3)CC2)CC1 ZINC000576145802 491585416 /nfs/dbraw/zinc/58/54/16/491585416.db2.gz BWSZUBNIGMGTCI-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CC(=O)N(C)C3)CC2)CC1 ZINC000576145802 491585418 /nfs/dbraw/zinc/58/54/18/491585418.db2.gz BWSZUBNIGMGTCI-HNNXBMFYSA-N 2 2 351.495 0.419 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000561224851 491585840 /nfs/dbraw/zinc/58/58/40/491585840.db2.gz FTEXPLSILBFKLE-UHFFFAOYSA-N 3 2 354.495 0.158 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577076746 491587236 /nfs/dbraw/zinc/58/72/36/491587236.db2.gz CWJQWUWATPGZTN-QBRXISKQSA-N 2 2 360.502 0.704 20 0 FCADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577076746 491587241 /nfs/dbraw/zinc/58/72/41/491587241.db2.gz CWJQWUWATPGZTN-QBRXISKQSA-N 2 2 360.502 0.704 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000584410944 491588297 /nfs/dbraw/zinc/58/82/97/491588297.db2.gz ZATJLDAYGIJCLK-SJORKVTESA-N 2 2 350.507 0.681 20 0 FCADLP C[C@]1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000561243449 491588789 /nfs/dbraw/zinc/58/87/89/491588789.db2.gz WGOVYXWYPVORNO-BXWFABGCSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561252421 491589341 /nfs/dbraw/zinc/58/93/41/491589341.db2.gz GMGQIDLPMBSCLC-BQFCYCMXSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561252421 491589343 /nfs/dbraw/zinc/58/93/43/491589343.db2.gz GMGQIDLPMBSCLC-BQFCYCMXSA-N 2 2 374.485 0.212 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584422313 491590766 /nfs/dbraw/zinc/59/07/66/491590766.db2.gz SHVVMXOHDPVQHV-HUUCEWRRSA-N 2 2 370.457 0.688 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H](C)O1 ZINC000576220076 491593473 /nfs/dbraw/zinc/59/34/73/491593473.db2.gz CBDXPOYSFUJJDX-BFYDXBDKSA-N 2 2 365.474 0.944 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H](C)O1 ZINC000576220078 491593616 /nfs/dbraw/zinc/59/36/16/491593616.db2.gz CBDXPOYSFUJJDX-INMHGKMJSA-N 2 2 365.474 0.944 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000561366595 491601280 /nfs/dbraw/zinc/60/12/80/491601280.db2.gz FXBYRRLAXSUOGY-XHSDSOJGSA-N 2 2 368.522 0.401 20 0 FCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000561366999 491602045 /nfs/dbraw/zinc/60/20/45/491602045.db2.gz ASSOFQYBLVZTFA-HRCADAONSA-N 2 2 354.495 0.155 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000561368220 491602437 /nfs/dbraw/zinc/60/24/37/491602437.db2.gz UICLKNCIYLJZQB-SJORKVTESA-N 2 2 368.522 0.546 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OC ZINC000568748678 491606134 /nfs/dbraw/zinc/60/61/34/491606134.db2.gz DRGDLPMOQPSREK-GJZGRUSLSA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OC ZINC000568748678 491606135 /nfs/dbraw/zinc/60/61/35/491606135.db2.gz DRGDLPMOQPSREK-GJZGRUSLSA-N 2 2 363.458 0.870 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000576346178 491607262 /nfs/dbraw/zinc/60/72/62/491607262.db2.gz IYXFWYSAKQKTCS-OAHLLOKOSA-N 2 2 368.503 0.067 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000576346178 491607264 /nfs/dbraw/zinc/60/72/64/491607264.db2.gz IYXFWYSAKQKTCS-OAHLLOKOSA-N 2 2 368.503 0.067 20 0 FCADLP [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000577269949 491608254 /nfs/dbraw/zinc/60/82/54/491608254.db2.gz YGUJWYGZLGYIDS-KZNAEPCWSA-N 2 2 374.485 0.562 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000577290164 491610444 /nfs/dbraw/zinc/61/04/44/491610444.db2.gz DWWJRBSPICNKGC-UMPJEAMMSA-N 2 2 362.478 0.864 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000577290164 491610445 /nfs/dbraw/zinc/61/04/45/491610445.db2.gz DWWJRBSPICNKGC-UMPJEAMMSA-N 2 2 362.478 0.864 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471842 491611721 /nfs/dbraw/zinc/61/17/21/491611721.db2.gz KUJYQFQLQZEKRY-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471842 491611723 /nfs/dbraw/zinc/61/17/23/491611723.db2.gz KUJYQFQLQZEKRY-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471842 491611724 /nfs/dbraw/zinc/61/17/24/491611724.db2.gz KUJYQFQLQZEKRY-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)C(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000561471842 491611726 /nfs/dbraw/zinc/61/17/26/491611726.db2.gz KUJYQFQLQZEKRY-OAHLLOKOSA-N 2 2 365.522 0.855 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000568860832 491614411 /nfs/dbraw/zinc/61/44/11/491614411.db2.gz JTNYQWIFNSEFGW-OAHLLOKOSA-N 2 2 353.511 0.711 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)C1CCOCC1 ZINC000561539422 491614943 /nfs/dbraw/zinc/61/49/43/491614943.db2.gz OQLYSXNKVZUSTP-CRAIPNDOSA-N 2 2 365.478 0.737 20 0 FCADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C1CCOCC1 ZINC000561539422 491614945 /nfs/dbraw/zinc/61/49/45/491614945.db2.gz OQLYSXNKVZUSTP-CRAIPNDOSA-N 2 2 365.478 0.737 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000577369537 491615635 /nfs/dbraw/zinc/61/56/35/491615635.db2.gz FYWIBCKIYIFTGG-CQSZACIVSA-N 2 2 359.474 0.640 20 0 FCADLP CC1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC[NH2+]CC1 ZINC000576447972 491615766 /nfs/dbraw/zinc/61/57/66/491615766.db2.gz YZUXMSGGUMPRFU-UHFFFAOYSA-N 2 2 350.467 0.727 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000577382235 491617212 /nfs/dbraw/zinc/61/72/12/491617212.db2.gz HBRWYGFVOKWOQU-KRWDZBQOSA-N 2 2 371.485 0.721 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)CC2)N1 ZINC000561566644 491617243 /nfs/dbraw/zinc/61/72/43/491617243.db2.gz CPZCSEKXEUXSEV-ZEVUXNIQSA-N 2 2 372.469 0.732 20 0 FCADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)CC2)N1 ZINC000561566644 491617246 /nfs/dbraw/zinc/61/72/46/491617246.db2.gz CPZCSEKXEUXSEV-ZEVUXNIQSA-N 2 2 372.469 0.732 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC000576493037 491619150 /nfs/dbraw/zinc/61/91/50/491619150.db2.gz QYOUPTLJIFPBEG-DLBZAZTESA-N 2 2 373.432 0.872 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000576487777 491619271 /nfs/dbraw/zinc/61/92/71/491619271.db2.gz ZYPOUKQDOJHDNH-AWEZNQCLSA-N 2 2 357.414 0.882 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000576487777 491619274 /nfs/dbraw/zinc/61/92/74/491619274.db2.gz ZYPOUKQDOJHDNH-AWEZNQCLSA-N 2 2 357.414 0.882 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCOCC1 ZINC000568915083 491619801 /nfs/dbraw/zinc/61/98/01/491619801.db2.gz MDGUVFBKVAUVAR-JKSUJKDBSA-N 2 2 366.506 0.299 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000576534907 491623453 /nfs/dbraw/zinc/62/34/53/491623453.db2.gz GYMGJKFBXIFWMZ-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP NC(=O)NC(=O)CC[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000577485246 491625573 /nfs/dbraw/zinc/62/55/73/491625573.db2.gz PZBRBZOQASPIQH-UHFFFAOYSA-N 2 2 361.490 0.759 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)CC1 ZINC000577488247 491625666 /nfs/dbraw/zinc/62/56/66/491625666.db2.gz SUJRMARPIMQWOI-UHFFFAOYSA-N 3 2 372.579 0.904 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)CC1 ZINC000577488247 491625670 /nfs/dbraw/zinc/62/56/70/491625670.db2.gz SUJRMARPIMQWOI-UHFFFAOYSA-N 3 2 372.579 0.904 20 0 FCADLP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)C2)n(C)n1 ZINC000569095653 491633059 /nfs/dbraw/zinc/63/30/59/491633059.db2.gz HEVWFFIUTPWKAO-XSLAGTTESA-N 2 2 365.522 0.757 20 0 FCADLP C[NH2+][C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1cnn(C)c1 ZINC000569118495 491635827 /nfs/dbraw/zinc/63/58/27/491635827.db2.gz SCDKFKAKSIDHGB-OFQRWUPVSA-N 2 2 363.441 0.143 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704236 491637432 /nfs/dbraw/zinc/63/74/32/491637432.db2.gz CCNNMIRJNXVZMN-HKUYNNGSSA-N 2 2 370.497 0.967 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704236 491637434 /nfs/dbraw/zinc/63/74/34/491637434.db2.gz CCNNMIRJNXVZMN-HKUYNNGSSA-N 2 2 370.497 0.967 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000561959498 491642545 /nfs/dbraw/zinc/64/25/45/491642545.db2.gz CMTDXCQGBSGSIE-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP O=C(NCC(=O)N1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000577711671 491644763 /nfs/dbraw/zinc/64/47/63/491644763.db2.gz WOCXPMAUZBESBE-UHFFFAOYSA-N 2 2 360.462 0.303 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562000618 491646152 /nfs/dbraw/zinc/64/61/52/491646152.db2.gz VJGUEUVXPTYCSU-RRFJBIMHSA-N 2 2 362.478 0.214 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562000618 491646153 /nfs/dbraw/zinc/64/61/53/491646153.db2.gz VJGUEUVXPTYCSU-RRFJBIMHSA-N 2 2 362.478 0.214 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000577728121 491646561 /nfs/dbraw/zinc/64/65/61/491646561.db2.gz ZFJSSYBQXWREQB-CYBMUJFWSA-N 2 2 369.263 0.280 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000577728121 491646565 /nfs/dbraw/zinc/64/65/65/491646565.db2.gz ZFJSSYBQXWREQB-CYBMUJFWSA-N 2 2 369.263 0.280 20 0 FCADLP [NH3+][C@@H]1C[C@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000569259722 491646898 /nfs/dbraw/zinc/64/68/98/491646898.db2.gz JOVQEEIZGFYHFI-WCQYABFASA-N 2 2 364.247 0.841 20 0 FCADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1N1CCCC1=O ZINC000577940487 491664388 /nfs/dbraw/zinc/66/43/88/491664388.db2.gz YGIHNDCIFPOASG-CQSZACIVSA-N 2 2 361.446 0.929 20 0 FCADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1N1CCCC1=O ZINC000577940487 491664389 /nfs/dbraw/zinc/66/43/89/491664389.db2.gz YGIHNDCIFPOASG-CQSZACIVSA-N 2 2 361.446 0.929 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(Cl)cc1 ZINC000577999515 491667212 /nfs/dbraw/zinc/66/72/12/491667212.db2.gz PQJBXKFCYSLTSL-LBPRGKRZSA-N 2 2 362.808 0.769 20 0 FCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000578006968 491667756 /nfs/dbraw/zinc/66/77/56/491667756.db2.gz ZHALDLZKTUWGIK-CABCVRRESA-N 2 2 368.503 0.931 20 0 FCADLP C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000578052084 491668755 /nfs/dbraw/zinc/66/87/55/491668755.db2.gz JUHXSVITNWGFTO-UXLLHSPISA-N 2 2 356.536 0.882 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000578062761 491669009 /nfs/dbraw/zinc/66/90/09/491669009.db2.gz WVEUKKFGIFVZOW-FHWLQOOXSA-N 2 2 370.497 0.835 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454054 491677597 /nfs/dbraw/zinc/67/75/97/491677597.db2.gz OKQJFUYADUWMJR-DZGCQCFKSA-N 2 2 366.849 0.079 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCOc3cccc(Cl)c3)CCN2C1=O ZINC000578454054 491677598 /nfs/dbraw/zinc/67/75/98/491677598.db2.gz OKQJFUYADUWMJR-DZGCQCFKSA-N 2 2 366.849 0.079 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000578701328 491682594 /nfs/dbraw/zinc/68/25/94/491682594.db2.gz DNWADIQIALXTIR-UHFFFAOYSA-N 2 2 352.464 0.463 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000578981033 491688227 /nfs/dbraw/zinc/68/82/27/491688227.db2.gz AYMOEGMDEUYVDG-LUKYLMHMSA-N 2 2 366.506 0.380 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC000578996409 491688646 /nfs/dbraw/zinc/68/86/46/491688646.db2.gz MLLZXQCMVDPJFM-OAHLLOKOSA-N 2 2 364.494 0.740 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000579004672 491688945 /nfs/dbraw/zinc/68/89/45/491688945.db2.gz KXYZGZGCORCKJL-PGSNGQOISA-N 2 2 367.490 0.520 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000579004672 491688946 /nfs/dbraw/zinc/68/89/46/491688946.db2.gz KXYZGZGCORCKJL-PGSNGQOISA-N 2 2 367.490 0.520 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000579004670 491688966 /nfs/dbraw/zinc/68/89/66/491688966.db2.gz KXYZGZGCORCKJL-GTACMHHNSA-N 2 2 367.490 0.520 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000579004670 491688967 /nfs/dbraw/zinc/68/89/67/491688967.db2.gz KXYZGZGCORCKJL-GTACMHHNSA-N 2 2 367.490 0.520 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000579021021 491689480 /nfs/dbraw/zinc/68/94/80/491689480.db2.gz SLAXAPCYZPNYFC-INIZCTEOSA-N 2 2 371.441 0.325 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000579021021 491689481 /nfs/dbraw/zinc/68/94/81/491689481.db2.gz SLAXAPCYZPNYFC-INIZCTEOSA-N 2 2 371.441 0.325 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043265 491689902 /nfs/dbraw/zinc/68/99/02/491689902.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043265 491689903 /nfs/dbraw/zinc/68/99/03/491689903.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043265 491689904 /nfs/dbraw/zinc/68/99/04/491689904.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 3 2 368.566 0.291 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1C[C@H](O)C[NH+](C)C1CC1 ZINC000579043265 491689905 /nfs/dbraw/zinc/68/99/05/491689905.db2.gz AJTINHNIZUSCFM-ACZWYYKOSA-N 3 2 368.566 0.291 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000579216147 491693256 /nfs/dbraw/zinc/69/32/56/491693256.db2.gz OFDAYLWUOMBDKJ-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000579216147 491693257 /nfs/dbraw/zinc/69/32/57/491693257.db2.gz OFDAYLWUOMBDKJ-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000579456237 491698117 /nfs/dbraw/zinc/69/81/17/491698117.db2.gz HGVLIZSEQOBKRY-CABCVRRESA-N 2 2 364.494 0.461 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533065 491699985 /nfs/dbraw/zinc/69/99/85/491699985.db2.gz UOENMLCZFUQEIH-PBHICJAKSA-N 2 2 352.504 0.547 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000579533065 491699986 /nfs/dbraw/zinc/69/99/86/491699986.db2.gz UOENMLCZFUQEIH-PBHICJAKSA-N 2 2 352.504 0.547 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000579574608 491700722 /nfs/dbraw/zinc/70/07/22/491700722.db2.gz BBFWFFODOBZPNJ-KFWWJZLASA-N 2 2 352.431 0.854 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000579589223 491701051 /nfs/dbraw/zinc/70/10/51/491701051.db2.gz CZUYOUZSZLMOBY-CYBMUJFWSA-N 2 2 374.894 0.110 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000579589223 491701052 /nfs/dbraw/zinc/70/10/52/491701052.db2.gz CZUYOUZSZLMOBY-CYBMUJFWSA-N 2 2 374.894 0.110 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)C[C@H](C)O1 ZINC000579710403 491703627 /nfs/dbraw/zinc/70/36/27/491703627.db2.gz LGVWAGZVLSCCKA-CYGHRXIMSA-N 2 2 356.507 0.614 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)C[C@H](C)O1 ZINC000579710403 491703628 /nfs/dbraw/zinc/70/36/28/491703628.db2.gz LGVWAGZVLSCCKA-CYGHRXIMSA-N 2 2 356.507 0.614 20 0 FCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1 ZINC000579830129 491706388 /nfs/dbraw/zinc/70/63/88/491706388.db2.gz LPJPOJUMIRNVHF-ZWKOTPCHSA-N 2 2 360.458 0.666 20 0 FCADLP CCN1C[C@@H](NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000584584515 491708332 /nfs/dbraw/zinc/70/83/32/491708332.db2.gz BIQAFLAEBIESOI-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP CCN1C[C@@H](NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1=O ZINC000584584515 491708333 /nfs/dbraw/zinc/70/83/33/491708333.db2.gz BIQAFLAEBIESOI-INIZCTEOSA-N 2 2 365.522 0.809 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCS(=O)(=O)C[C@@H]3C)CC2)CC1 ZINC000584663775 491709563 /nfs/dbraw/zinc/70/95/63/491709563.db2.gz LNUKOFKRNSYRCF-HNNXBMFYSA-N 2 2 371.547 0.828 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000579958546 491711164 /nfs/dbraw/zinc/71/11/64/491711164.db2.gz JFNIGFMMWJLPRN-HOTGVXAUSA-N 2 2 362.474 0.452 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046202 491714694 /nfs/dbraw/zinc/71/46/94/491714694.db2.gz DQSNQKCDPKXRCI-IRXDYDNUSA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046202 491714695 /nfs/dbraw/zinc/71/46/95/491714695.db2.gz DQSNQKCDPKXRCI-IRXDYDNUSA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046202 491714696 /nfs/dbraw/zinc/71/46/96/491714696.db2.gz DQSNQKCDPKXRCI-IRXDYDNUSA-N 2 2 354.458 0.717 20 0 FCADLP NC(=O)Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nn1 ZINC000580046202 491714697 /nfs/dbraw/zinc/71/46/97/491714697.db2.gz DQSNQKCDPKXRCI-IRXDYDNUSA-N 2 2 354.458 0.717 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000580070898 491715850 /nfs/dbraw/zinc/71/58/50/491715850.db2.gz FFMFYMBHSAWYRC-BBRMVZONSA-N 2 2 365.430 0.285 20 0 FCADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000580070898 491715852 /nfs/dbraw/zinc/71/58/52/491715852.db2.gz FFMFYMBHSAWYRC-BBRMVZONSA-N 2 2 365.430 0.285 20 0 FCADLP O[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580276598 491723866 /nfs/dbraw/zinc/72/38/66/491723866.db2.gz RFWBHEPEAIJBMF-IAGOWNOFSA-N 2 2 361.490 0.986 20 0 FCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000580497211 491733419 /nfs/dbraw/zinc/73/34/19/491733419.db2.gz RQCBWKAJGWXWQM-HNNXBMFYSA-N 2 2 359.474 0.791 20 0 FCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000580714716 491742556 /nfs/dbraw/zinc/74/25/56/491742556.db2.gz GTERVZQDMZQLND-GJZGRUSLSA-N 2 2 357.458 0.832 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660582647 493363421 /nfs/dbraw/zinc/36/34/21/493363421.db2.gz XONNUZVFAMYKFM-GOSISDBHSA-N 2 2 361.490 0.923 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660582647 493363423 /nfs/dbraw/zinc/36/34/23/493363423.db2.gz XONNUZVFAMYKFM-GOSISDBHSA-N 2 2 361.490 0.923 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000588705569 491747003 /nfs/dbraw/zinc/74/70/03/491747003.db2.gz OIFMSDFGTLTOQY-INIZCTEOSA-N 2 2 357.458 0.936 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000588705569 491747004 /nfs/dbraw/zinc/74/70/04/491747004.db2.gz OIFMSDFGTLTOQY-INIZCTEOSA-N 2 2 357.458 0.936 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588807653 491749960 /nfs/dbraw/zinc/74/99/60/491749960.db2.gz RWDULXPIRSBCFA-HOCLYGCPSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@@H](CSC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588807653 491749962 /nfs/dbraw/zinc/74/99/62/491749962.db2.gz RWDULXPIRSBCFA-HOCLYGCPSA-N 2 2 370.563 0.871 20 0 FCADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000580893104 491750705 /nfs/dbraw/zinc/75/07/05/491750705.db2.gz OFRYIXZMDXIXLW-QAPCUYQASA-N 2 2 374.485 0.457 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)CN3CCOCC3)c2cc1C ZINC000580952565 491753060 /nfs/dbraw/zinc/75/30/60/491753060.db2.gz LHNBCYJPCHUPIA-IAGOWNOFSA-N 2 2 362.474 0.297 20 0 FCADLP CCSCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589023297 491753796 /nfs/dbraw/zinc/75/37/96/491753796.db2.gz YZWQSRDBZPDPHQ-INIZCTEOSA-N 2 2 370.563 0.873 20 0 FCADLP CCSCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589023297 491753797 /nfs/dbraw/zinc/75/37/97/491753797.db2.gz YZWQSRDBZPDPHQ-INIZCTEOSA-N 2 2 370.563 0.873 20 0 FCADLP CCSCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589023300 491753818 /nfs/dbraw/zinc/75/38/18/491753818.db2.gz YZWQSRDBZPDPHQ-MRXNPFEDSA-N 2 2 370.563 0.873 20 0 FCADLP CCSCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589023300 491753819 /nfs/dbraw/zinc/75/38/19/491753819.db2.gz YZWQSRDBZPDPHQ-MRXNPFEDSA-N 2 2 370.563 0.873 20 0 FCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000581016772 491755595 /nfs/dbraw/zinc/75/55/95/491755595.db2.gz DYXHYBNJVWQXKI-LBPRGKRZSA-N 2 2 361.430 0.245 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C[C@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021277 491755981 /nfs/dbraw/zinc/75/59/81/491755981.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C[C@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021277 491755983 /nfs/dbraw/zinc/75/59/83/491755983.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C[C@H](O)C[N@H+](C)CCOC)CC2)CC1 ZINC000581021277 491755985 /nfs/dbraw/zinc/75/59/85/491755985.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC([NH+]2CCCN(C[C@H](O)C[N@@H+](C)CCOC)CC2)CC1 ZINC000581021277 491755987 /nfs/dbraw/zinc/75/59/87/491755987.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021277 491755989 /nfs/dbraw/zinc/75/59/89/491755989.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)CC2)CC1 ZINC000581021277 491755990 /nfs/dbraw/zinc/75/59/90/491755990.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC2)CC1 ZINC000581021277 491755992 /nfs/dbraw/zinc/75/59/92/491755992.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[NH+]1CCC(N2CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC2)CC1 ZINC000581021277 491755994 /nfs/dbraw/zinc/75/59/94/491755994.db2.gz VBLOEQUJWIKNBS-LJQANCHMSA-N 3 2 356.555 0.418 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000581080597 491758408 /nfs/dbraw/zinc/75/84/08/491758408.db2.gz WDOWSUFWCFEYAD-BZSNNMDCSA-N 3 2 357.539 0.889 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000581130521 491760686 /nfs/dbraw/zinc/76/06/86/491760686.db2.gz PXVSNETYZHTKJE-OAHLLOKOSA-N 2 2 354.476 0.553 20 0 FCADLP CCCS(=O)(=O)Nc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000581130521 491760688 /nfs/dbraw/zinc/76/06/88/491760688.db2.gz PXVSNETYZHTKJE-OAHLLOKOSA-N 2 2 354.476 0.553 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000581185280 491762820 /nfs/dbraw/zinc/76/28/20/491762820.db2.gz PFZRHNJPHNPAKU-QXCFHYIPSA-N 2 2 370.497 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000581185280 491762821 /nfs/dbraw/zinc/76/28/21/491762821.db2.gz PFZRHNJPHNPAKU-QXCFHYIPSA-N 2 2 370.497 0.915 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000581311165 491768293 /nfs/dbraw/zinc/76/82/93/491768293.db2.gz JYTPVNGQINYFPG-CYBMUJFWSA-N 2 2 358.364 0.537 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000581311165 491768295 /nfs/dbraw/zinc/76/82/95/491768295.db2.gz JYTPVNGQINYFPG-CYBMUJFWSA-N 2 2 358.364 0.537 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000581656494 491781752 /nfs/dbraw/zinc/78/17/52/491781752.db2.gz GQJARRSQXZNVGH-AWEZNQCLSA-N 2 2 373.448 0.227 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000590639852 491782098 /nfs/dbraw/zinc/78/20/98/491782098.db2.gz ZBBDTDNWVLKCTN-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000590639852 491782100 /nfs/dbraw/zinc/78/21/00/491782100.db2.gz ZBBDTDNWVLKCTN-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000581881715 491788539 /nfs/dbraw/zinc/78/85/39/491788539.db2.gz DLSJMDDXZIKCSK-ZBFHGGJFSA-N 2 2 359.405 0.633 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1C ZINC000581954807 491791965 /nfs/dbraw/zinc/79/19/65/491791965.db2.gz KKZZCVCWFXFGBR-HUUCEWRRSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1C ZINC000581954807 491791966 /nfs/dbraw/zinc/79/19/66/491791966.db2.gz KKZZCVCWFXFGBR-HUUCEWRRSA-N 2 2 359.430 0.195 20 0 FCADLP COC(=O)c1ccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000591358706 491804193 /nfs/dbraw/zinc/80/41/93/491804193.db2.gz MYBXRGYUPXBPIS-OAHLLOKOSA-N 2 2 364.446 0.309 20 0 FCADLP COC(=O)c1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000591358706 491804194 /nfs/dbraw/zinc/80/41/94/491804194.db2.gz MYBXRGYUPXBPIS-OAHLLOKOSA-N 2 2 364.446 0.309 20 0 FCADLP CC[N@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1Cl ZINC000582312391 491807225 /nfs/dbraw/zinc/80/72/25/491807225.db2.gz WIFQONICKXMBAQ-ZBFHGGJFSA-N 2 2 364.877 0.932 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)Cc1ccccc1Cl ZINC000582312391 491807227 /nfs/dbraw/zinc/80/72/27/491807227.db2.gz WIFQONICKXMBAQ-ZBFHGGJFSA-N 2 2 364.877 0.932 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591627753 491813242 /nfs/dbraw/zinc/81/32/42/491813242.db2.gz COVXSHVCMRIODS-UHFFFAOYSA-N 2 2 354.495 0.605 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591633148 491813629 /nfs/dbraw/zinc/81/36/29/491813629.db2.gz OLBYNXHZBSNZJO-YESZJQIVSA-N 2 2 354.495 0.602 20 0 FCADLP [NH3+]C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000582484005 491814599 /nfs/dbraw/zinc/81/45/99/491814599.db2.gz BRVUXWKWMKFKDD-AWEZNQCLSA-N 2 2 360.462 0.280 20 0 FCADLP [NH3+]C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000582484005 491814601 /nfs/dbraw/zinc/81/46/01/491814601.db2.gz BRVUXWKWMKFKDD-AWEZNQCLSA-N 2 2 360.462 0.280 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582543858 491817074 /nfs/dbraw/zinc/81/70/74/491817074.db2.gz UBKUYZRKRDQCAB-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1)[NH+]1CC(C)C1 ZINC000582735610 491824436 /nfs/dbraw/zinc/82/44/36/491824436.db2.gz IZTQKHMAESBKRB-ILXRZTDVSA-N 2 2 364.469 0.916 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1C[NH3+] ZINC000582779455 491826386 /nfs/dbraw/zinc/82/63/86/491826386.db2.gz CKGDWWUWMLSIME-HOCLYGCPSA-N 2 2 364.515 0.836 20 0 FCADLP Cc1cc(N2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000582841772 491828820 /nfs/dbraw/zinc/82/88/20/491828820.db2.gz BTURQEFZUGVOQZ-OAHLLOKOSA-N 2 2 374.489 0.425 20 0 FCADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CCN2C1=O ZINC000582856216 491829850 /nfs/dbraw/zinc/82/98/50/491829850.db2.gz FKVBNCPPAAKTFS-IRXDYDNUSA-N 2 2 368.441 0.385 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000582894910 491830909 /nfs/dbraw/zinc/83/09/09/491830909.db2.gz OEFZXLROQWMICY-ROUUACIJSA-N 2 2 369.469 0.874 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000582894910 491830911 /nfs/dbraw/zinc/83/09/11/491830911.db2.gz OEFZXLROQWMICY-ROUUACIJSA-N 2 2 369.469 0.874 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)S(C)(=O)=O)CC2)CC1 ZINC000582915795 491832400 /nfs/dbraw/zinc/83/24/00/491832400.db2.gz QDZRATGLKYNRTL-AWEZNQCLSA-N 2 2 359.536 0.732 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000582979267 491835010 /nfs/dbraw/zinc/83/50/10/491835010.db2.gz KZOAWSPDWDJXKT-IAGOWNOFSA-N 2 2 368.522 0.261 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583189961 491839849 /nfs/dbraw/zinc/83/98/49/491839849.db2.gz OIXVWRHHWUCNAI-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583189961 491839850 /nfs/dbraw/zinc/83/98/50/491839850.db2.gz OIXVWRHHWUCNAI-BBWFWOEESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000583282543 491841784 /nfs/dbraw/zinc/84/17/84/491841784.db2.gz HAQGVFIUIVNPQH-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000583282543 491841785 /nfs/dbraw/zinc/84/17/85/491841785.db2.gz HAQGVFIUIVNPQH-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1 ZINC000583392536 491844116 /nfs/dbraw/zinc/84/41/16/491844116.db2.gz JHCHPZZSGOFWPF-ARFHVFGLSA-N 2 2 368.441 0.463 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000583441272 491845100 /nfs/dbraw/zinc/84/51/00/491845100.db2.gz UUDDQNLVUOHSFN-CABCVRRESA-N 2 2 360.458 0.633 20 0 FCADLP COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000583441272 491845101 /nfs/dbraw/zinc/84/51/01/491845101.db2.gz UUDDQNLVUOHSFN-CABCVRRESA-N 2 2 360.458 0.633 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000583471510 491845765 /nfs/dbraw/zinc/84/57/65/491845765.db2.gz NRLMKZRWIKBDSJ-UHFFFAOYSA-N 2 2 352.460 0.972 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529220 491846771 /nfs/dbraw/zinc/84/67/71/491846771.db2.gz CJADFXPLDFSRNL-JKSUJKDBSA-N 2 2 361.490 0.798 20 0 FCADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000583529220 491846772 /nfs/dbraw/zinc/84/67/72/491846772.db2.gz CJADFXPLDFSRNL-JKSUJKDBSA-N 2 2 361.490 0.798 20 0 FCADLP C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583628943 491848895 /nfs/dbraw/zinc/84/88/95/491848895.db2.gz FOXMWKBYWNUCAA-QAPCUYQASA-N 2 2 372.473 0.646 20 0 FCADLP C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583628943 491848896 /nfs/dbraw/zinc/84/88/96/491848896.db2.gz FOXMWKBYWNUCAA-QAPCUYQASA-N 2 2 372.473 0.646 20 0 FCADLP CC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CCC1 ZINC000583780283 491851880 /nfs/dbraw/zinc/85/18/80/491851880.db2.gz ILONCIHWASBQDV-UHFFFAOYSA-N 2 2 357.462 0.886 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CCC1 ZINC000583780283 491851881 /nfs/dbraw/zinc/85/18/81/491851881.db2.gz ILONCIHWASBQDV-UHFFFAOYSA-N 2 2 357.462 0.886 20 0 FCADLP CN1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C[NH3+])C1 ZINC000583920789 491854722 /nfs/dbraw/zinc/85/47/22/491854722.db2.gz IUCZKAZATJSEDZ-ROUUACIJSA-N 2 2 361.490 0.172 20 0 FCADLP CN1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C[NH3+])C1 ZINC000583920789 491854723 /nfs/dbraw/zinc/85/47/23/491854723.db2.gz IUCZKAZATJSEDZ-ROUUACIJSA-N 2 2 361.490 0.172 20 0 FCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584107415 491858727 /nfs/dbraw/zinc/85/87/27/491858727.db2.gz YGCYKLLPEOHYQW-GOEBONIOSA-N 2 2 369.487 0.347 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000584173303 491859962 /nfs/dbraw/zinc/85/99/62/491859962.db2.gz PULZGSCYNZEMRM-UHFFFAOYSA-N 2 2 367.450 0.365 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(C(=O)OC)c1 ZINC000584173300 491860021 /nfs/dbraw/zinc/86/00/21/491860021.db2.gz PQGCFKQXORIBLC-GFCCVEGCSA-N 2 2 363.414 0.869 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc(C(=O)OC)c1 ZINC000584173300 491860022 /nfs/dbraw/zinc/86/00/22/491860022.db2.gz PQGCFKQXORIBLC-GFCCVEGCSA-N 2 2 363.414 0.869 20 0 FCADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823494 491876544 /nfs/dbraw/zinc/87/65/44/491876544.db2.gz SQYMIRQOXFSAAY-SJORKVTESA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823494 491876545 /nfs/dbraw/zinc/87/65/45/491876545.db2.gz SQYMIRQOXFSAAY-SJORKVTESA-N 2 2 364.490 0.053 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC[N@H+](C)C1 ZINC000595051041 491881064 /nfs/dbraw/zinc/88/10/64/491881064.db2.gz RPMZPTYQSAEHTM-ZDUSSCGKSA-N 2 2 373.413 0.144 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC[N@@H+](C)C1 ZINC000595051041 491881065 /nfs/dbraw/zinc/88/10/65/491881065.db2.gz RPMZPTYQSAEHTM-ZDUSSCGKSA-N 2 2 373.413 0.144 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000612057742 491896042 /nfs/dbraw/zinc/89/60/42/491896042.db2.gz QJFGHUPJVFUTJN-ZBFHGGJFSA-N 2 2 368.503 0.413 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000612058115 491896101 /nfs/dbraw/zinc/89/61/01/491896101.db2.gz WIDVULWDBFLSOD-RBSFLKMASA-N 2 2 368.503 0.491 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000601266381 491901175 /nfs/dbraw/zinc/90/11/75/491901175.db2.gz DLEMUNWCUFNFSZ-AWEZNQCLSA-N 2 2 351.451 0.154 20 0 FCADLP Ic1cnc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000601325482 491904657 /nfs/dbraw/zinc/90/46/57/491904657.db2.gz DBIXCIPPATWCJO-LLVKDONJSA-N 2 2 373.242 0.813 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612976804 491960714 /nfs/dbraw/zinc/96/07/14/491960714.db2.gz ZZLRWSAXXBZBML-HNNXBMFYSA-N 2 2 351.495 0.324 20 0 FCADLP COCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1=O ZINC000602196513 491967204 /nfs/dbraw/zinc/96/72/04/491967204.db2.gz WCURKBIPQQMENW-MRXNPFEDSA-N 2 2 362.474 0.393 20 0 FCADLP COCCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1=O ZINC000602196513 491967206 /nfs/dbraw/zinc/96/72/06/491967206.db2.gz WCURKBIPQQMENW-MRXNPFEDSA-N 2 2 362.474 0.393 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602204724 491967962 /nfs/dbraw/zinc/96/79/62/491967962.db2.gz XXQIFSLKUIVFJL-NSHDSACASA-N 2 2 372.516 0.294 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000602204724 491967964 /nfs/dbraw/zinc/96/79/64/491967964.db2.gz XXQIFSLKUIVFJL-NSHDSACASA-N 2 2 372.516 0.294 20 0 FCADLP COC(=O)[C@@H](O)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602795954 491998635 /nfs/dbraw/zinc/99/86/35/491998635.db2.gz ISSFPQCIVLSXRY-AZUAARDMSA-N 2 2 362.470 0.869 20 0 FCADLP COC(=O)[C@@H](O)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602795954 491998638 /nfs/dbraw/zinc/99/86/38/491998638.db2.gz ISSFPQCIVLSXRY-AZUAARDMSA-N 2 2 362.470 0.869 20 0 FCADLP CCSC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000597268019 492026104 /nfs/dbraw/zinc/02/61/04/492026104.db2.gz WYIIIGQSTKQBGW-CQSZACIVSA-N 2 2 368.547 0.673 20 0 FCADLP CCSC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000597268019 492026105 /nfs/dbraw/zinc/02/61/05/492026105.db2.gz WYIIIGQSTKQBGW-CQSZACIVSA-N 2 2 368.547 0.673 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC000603598302 492038351 /nfs/dbraw/zinc/03/83/51/492038351.db2.gz DRAXICHLSZZNOK-UHFFFAOYSA-N 2 2 350.467 0.348 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC000603598302 492038353 /nfs/dbraw/zinc/03/83/53/492038353.db2.gz DRAXICHLSZZNOK-UHFFFAOYSA-N 2 2 350.467 0.348 20 0 FCADLP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664842 492047029 /nfs/dbraw/zinc/04/70/29/492047029.db2.gz ZBTMQLDLSLRXRD-UONOGXRCSA-N 2 2 353.492 0.835 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664842 492047031 /nfs/dbraw/zinc/04/70/31/492047031.db2.gz ZBTMQLDLSLRXRD-UONOGXRCSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664842 492047033 /nfs/dbraw/zinc/04/70/33/492047033.db2.gz ZBTMQLDLSLRXRD-UONOGXRCSA-N 2 2 353.492 0.835 20 0 FCADLP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[C@@H]1CCSC1 ZINC000614664842 492047035 /nfs/dbraw/zinc/04/70/35/492047035.db2.gz ZBTMQLDLSLRXRD-UONOGXRCSA-N 2 2 353.492 0.835 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000604184193 492052893 /nfs/dbraw/zinc/05/28/93/492052893.db2.gz IQCHLIFWAPZWKB-CVEARBPZSA-N 2 2 371.526 0.195 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191204 492053606 /nfs/dbraw/zinc/05/36/06/492053606.db2.gz NUHKZWYZAMASOX-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000604191204 492053608 /nfs/dbraw/zinc/05/36/08/492053608.db2.gz NUHKZWYZAMASOX-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191204 492053609 /nfs/dbraw/zinc/05/36/09/492053609.db2.gz NUHKZWYZAMASOX-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191204 492053611 /nfs/dbraw/zinc/05/36/11/492053611.db2.gz NUHKZWYZAMASOX-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604191204 492053613 /nfs/dbraw/zinc/05/36/13/492053613.db2.gz NUHKZWYZAMASOX-HZPDHXFCSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604191204 492053614 /nfs/dbraw/zinc/05/36/14/492053614.db2.gz NUHKZWYZAMASOX-HZPDHXFCSA-N 2 2 353.511 0.175 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCOC[C@H]3CCOC3)CC2)CC1 ZINC000598095099 492082830 /nfs/dbraw/zinc/08/28/30/492082830.db2.gz FTWOXMNNWVGHRW-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP O=C(N1CCC[C@H]([NH+]2CCOCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615545664 492093630 /nfs/dbraw/zinc/09/36/30/492093630.db2.gz FOANDECQMFNPHX-PZJWPPBQSA-N 2 2 373.497 0.947 20 0 FCADLP O=C(N1CCC[C@H]([NH+]2CCOCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615545664 492093631 /nfs/dbraw/zinc/09/36/31/492093631.db2.gz FOANDECQMFNPHX-PZJWPPBQSA-N 2 2 373.497 0.947 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605968802 492108899 /nfs/dbraw/zinc/10/88/99/492108899.db2.gz IQPCQZMUJNPXTR-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605968802 492108901 /nfs/dbraw/zinc/10/89/01/492108901.db2.gz IQPCQZMUJNPXTR-MRXNPFEDSA-N 2 2 354.495 0.461 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000606128444 492118347 /nfs/dbraw/zinc/11/83/47/492118347.db2.gz FHZPVNNAJJRYQB-ZDUSSCGKSA-N 2 2 350.419 0.382 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000606128444 492118349 /nfs/dbraw/zinc/11/83/49/492118349.db2.gz FHZPVNNAJJRYQB-ZDUSSCGKSA-N 2 2 350.419 0.382 20 0 FCADLP C[C@@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000606632992 492124853 /nfs/dbraw/zinc/12/48/53/492124853.db2.gz BXFNNKQUUATESB-INIZCTEOSA-N 2 2 355.527 0.280 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000616782328 492143524 /nfs/dbraw/zinc/14/35/24/492143524.db2.gz BTTVAERJOSFZJL-HOTGVXAUSA-N 2 2 358.446 0.482 20 0 FCADLP COC(=O)c1cnn(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000599481146 492178751 /nfs/dbraw/zinc/17/87/51/492178751.db2.gz IEFUGTLTBHENLN-UHFFFAOYSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)c1cnn(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000599481146 492178752 /nfs/dbraw/zinc/17/87/52/492178752.db2.gz IEFUGTLTBHENLN-UHFFFAOYSA-N 2 2 351.451 0.154 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732517 492186244 /nfs/dbraw/zinc/18/62/44/492186244.db2.gz GOQOJXMQDSCSDN-QKLQHJQFSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732517 492186245 /nfs/dbraw/zinc/18/62/45/492186245.db2.gz GOQOJXMQDSCSDN-QKLQHJQFSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732517 492186247 /nfs/dbraw/zinc/18/62/47/492186247.db2.gz GOQOJXMQDSCSDN-QKLQHJQFSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617732517 492186248 /nfs/dbraw/zinc/18/62/48/492186248.db2.gz GOQOJXMQDSCSDN-QKLQHJQFSA-N 2 2 361.486 0.849 20 0 FCADLP CN(C(=O)NCC1([S@@](C)=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619672322 492275487 /nfs/dbraw/zinc/27/54/87/492275487.db2.gz HTJTUGDFDNMKON-OYLFLEFRSA-N 2 2 356.536 0.707 20 0 FCADLP CN(C(=O)NCC1([S@@](C)=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619672322 492275488 /nfs/dbraw/zinc/27/54/88/492275488.db2.gz HTJTUGDFDNMKON-OYLFLEFRSA-N 2 2 356.536 0.707 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641735067 492300740 /nfs/dbraw/zinc/30/07/40/492300740.db2.gz LYXZEAPNVIXHKO-KRWDZBQOSA-N 2 2 364.494 0.369 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641735067 492300743 /nfs/dbraw/zinc/30/07/43/492300743.db2.gz LYXZEAPNVIXHKO-KRWDZBQOSA-N 2 2 364.494 0.369 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000654445345 492304262 /nfs/dbraw/zinc/30/42/62/492304262.db2.gz PHPAQAVJEJXPBK-ZDUSSCGKSA-N 2 2 364.498 0.396 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000654445345 492304265 /nfs/dbraw/zinc/30/42/65/492304265.db2.gz PHPAQAVJEJXPBK-ZDUSSCGKSA-N 2 2 364.498 0.396 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627459281 492304785 /nfs/dbraw/zinc/30/47/85/492304785.db2.gz FGHSBMWSPJVVLD-BPQIPLTHSA-N 2 2 358.486 0.976 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000627459281 492304788 /nfs/dbraw/zinc/30/47/88/492304788.db2.gz FGHSBMWSPJVVLD-BPQIPLTHSA-N 2 2 358.486 0.976 20 0 FCADLP c1cnc(N2CCC([NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)CC2)cn1 ZINC000641785572 492305263 /nfs/dbraw/zinc/30/52/63/492305263.db2.gz CCWQENDLDBKABW-LJQANCHMSA-N 2 2 374.533 0.832 20 0 FCADLP C[C@@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC000654452678 492306215 /nfs/dbraw/zinc/30/62/15/492306215.db2.gz XLHGBKFORPGAIC-SUYBPPKGSA-N 2 2 362.478 0.769 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000641935419 492323164 /nfs/dbraw/zinc/32/31/64/492323164.db2.gz BPZBRBCUBDZHOM-HNNXBMFYSA-N 2 2 367.519 0.914 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000641935419 492323168 /nfs/dbraw/zinc/32/31/68/492323168.db2.gz BPZBRBCUBDZHOM-HNNXBMFYSA-N 2 2 367.519 0.914 20 0 FCADLP CN(C)S(=O)(=O)CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193456 492325290 /nfs/dbraw/zinc/32/52/90/492325290.db2.gz IUCWGUVGUWBOCT-UHFFFAOYSA-N 2 2 355.464 0.053 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000634197450 492325926 /nfs/dbraw/zinc/32/59/26/492325926.db2.gz HVEDNKYCMRJTJU-CYBMUJFWSA-N 2 2 352.460 0.597 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCN3C(=O)CNC3=O)c2)CC1 ZINC000634196837 492326569 /nfs/dbraw/zinc/32/65/69/492326569.db2.gz AIRNQRJKTZFHFA-UHFFFAOYSA-N 2 2 360.418 0.104 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642105148 492334833 /nfs/dbraw/zinc/33/48/33/492334833.db2.gz IJGFWLBJZBXAMP-HOCLYGCPSA-N 2 2 353.426 0.699 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655624 492335187 /nfs/dbraw/zinc/33/51/87/492335187.db2.gz RXXUHLQVLCAFFJ-HSFUPAIVSA-N 2 2 368.522 0.989 20 0 FCADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655624 492335190 /nfs/dbraw/zinc/33/51/90/492335190.db2.gz RXXUHLQVLCAFFJ-HSFUPAIVSA-N 2 2 368.522 0.989 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642226509 492343130 /nfs/dbraw/zinc/34/31/30/492343130.db2.gz DETWHDQQMXRHTG-SFHVURJKSA-N 2 2 374.485 0.393 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000647690942 492345306 /nfs/dbraw/zinc/34/53/06/492345306.db2.gz YOZMKAIVPHJXBU-DZGCQCFKSA-N 2 2 350.463 0.126 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642293959 492348655 /nfs/dbraw/zinc/34/86/55/492348655.db2.gz CENYETXGASQAOG-GOEBONIOSA-N 2 2 355.442 0.671 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000654772926 492349797 /nfs/dbraw/zinc/34/97/97/492349797.db2.gz FONGJKMXQLLTDS-IKGGRYGDSA-N 2 2 352.523 0.924 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CCCC1 ZINC000642337511 492352989 /nfs/dbraw/zinc/35/29/89/492352989.db2.gz VSUOMYKVRLPHOV-IKGGRYGDSA-N 2 2 366.506 0.380 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)ccn12 ZINC000654799775 492353762 /nfs/dbraw/zinc/35/37/62/492353762.db2.gz WWANVLOZLMGPKS-QGZVFWFLSA-N 2 2 357.458 0.779 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)ccn12 ZINC000654799775 492353764 /nfs/dbraw/zinc/35/37/64/492353764.db2.gz WWANVLOZLMGPKS-QGZVFWFLSA-N 2 2 357.458 0.779 20 0 FCADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700952 492360948 /nfs/dbraw/zinc/36/09/48/492360948.db2.gz HWXDFPRNLAEPOU-QGZVFWFLSA-N 2 2 355.504 0.541 20 0 FCADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700952 492360952 /nfs/dbraw/zinc/36/09/52/492360952.db2.gz HWXDFPRNLAEPOU-QGZVFWFLSA-N 2 2 355.504 0.541 20 0 FCADLP Nc1nn2c(nc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2=O)[nH]1 ZINC000621254699 492365251 /nfs/dbraw/zinc/36/52/51/492365251.db2.gz GKTYEFHYXBQZAA-CQSZACIVSA-N 2 2 359.478 0.918 20 0 FCADLP Nc1nn2c(nc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2=O)[nH]1 ZINC000621254699 492365254 /nfs/dbraw/zinc/36/52/54/492365254.db2.gz GKTYEFHYXBQZAA-CQSZACIVSA-N 2 2 359.478 0.918 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)[nH+]c12 ZINC000642638911 492368261 /nfs/dbraw/zinc/36/82/61/492368261.db2.gz RMAGDTHUBRZTFR-XIRDDKMYSA-N 2 2 369.469 0.887 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000647829767 492368565 /nfs/dbraw/zinc/36/85/65/492368565.db2.gz VLRSFKPJYNQGIT-ZIAGYGMSSA-N 2 2 368.503 0.981 20 0 FCADLP CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000647829767 492368572 /nfs/dbraw/zinc/36/85/72/492368572.db2.gz VLRSFKPJYNQGIT-ZIAGYGMSSA-N 2 2 368.503 0.981 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000634782773 492369149 /nfs/dbraw/zinc/36/91/49/492369149.db2.gz ZPLXWQKQABEAEF-KDURUIRLSA-N 2 2 359.470 0.713 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000634782773 492369153 /nfs/dbraw/zinc/36/91/53/492369153.db2.gz ZPLXWQKQABEAEF-KDURUIRLSA-N 2 2 359.470 0.713 20 0 FCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863914 492373118 /nfs/dbraw/zinc/37/31/18/492373118.db2.gz MYZDPVDLGQQUSE-HZMBPMFUSA-N 2 2 354.838 0.816 20 0 FCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCO1 ZINC000647863914 492373121 /nfs/dbraw/zinc/37/31/21/492373121.db2.gz MYZDPVDLGQQUSE-HZMBPMFUSA-N 2 2 354.838 0.816 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c[nH+]1 ZINC000642687136 492373155 /nfs/dbraw/zinc/37/31/55/492373155.db2.gz PDAYKKLJPYHVGO-UKRRQHHQSA-N 2 2 363.462 0.119 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2ccc3nccnc3c2)CN1CC[NH+]1CCOCC1 ZINC000634962892 492375035 /nfs/dbraw/zinc/37/50/35/492375035.db2.gz DVHUUGDBTJPTLS-MRXNPFEDSA-N 2 2 355.442 0.653 20 0 FCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647938452 492385890 /nfs/dbraw/zinc/38/58/90/492385890.db2.gz NMYLTMGRXZDTTE-JMSVASOKSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647938452 492385895 /nfs/dbraw/zinc/38/58/95/492385895.db2.gz NMYLTMGRXZDTTE-JMSVASOKSA-N 2 2 354.476 0.720 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC[C@H]1[NH3+] ZINC000647936927 492385940 /nfs/dbraw/zinc/38/59/40/492385940.db2.gz NOBQUOROYJKHRB-TZMCWYRMSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC[C@H]1[NH3+] ZINC000647936927 492385943 /nfs/dbraw/zinc/38/59/43/492385943.db2.gz NOBQUOROYJKHRB-TZMCWYRMSA-N 2 2 354.476 0.640 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@H]1[NH3+] ZINC000647938535 492386117 /nfs/dbraw/zinc/38/61/17/492386117.db2.gz OZXFSTFBFBJXJT-LSDHHAIUSA-N 2 2 362.474 0.963 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@H]1[NH3+] ZINC000647938535 492386120 /nfs/dbraw/zinc/38/61/20/492386120.db2.gz OZXFSTFBFBJXJT-LSDHHAIUSA-N 2 2 362.474 0.963 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938729 492386202 /nfs/dbraw/zinc/38/62/02/492386202.db2.gz STTHCYLNMZXSSI-UKRRQHHQSA-N 2 2 368.503 0.901 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938729 492386204 /nfs/dbraw/zinc/38/62/04/492386204.db2.gz STTHCYLNMZXSSI-UKRRQHHQSA-N 2 2 368.503 0.901 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000647957361 492387197 /nfs/dbraw/zinc/38/71/97/492387197.db2.gz NKPNLOYLQROGLS-CEXWTWQISA-N 2 2 368.566 0.810 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000647957361 492387198 /nfs/dbraw/zinc/38/71/98/492387198.db2.gz NKPNLOYLQROGLS-CEXWTWQISA-N 2 2 368.566 0.810 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000642789295 492392824 /nfs/dbraw/zinc/39/28/24/492392824.db2.gz ZQSIXOTZZQNGOY-DZJNRPSUSA-N 2 2 356.470 0.875 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000642789295 492392826 /nfs/dbraw/zinc/39/28/26/492392826.db2.gz ZQSIXOTZZQNGOY-DZJNRPSUSA-N 2 2 356.470 0.875 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000642894135 492398458 /nfs/dbraw/zinc/39/84/58/492398458.db2.gz MGKRJJUFBLRAHS-UHFFFAOYSA-N 2 2 374.485 0.516 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000642898814 492398565 /nfs/dbraw/zinc/39/85/65/492398565.db2.gz PQPKIZOWWXXEPU-QGZVFWFLSA-N 2 2 374.485 0.501 20 0 FCADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000642902767 492399189 /nfs/dbraw/zinc/39/91/89/492399189.db2.gz ZTKVMBILGQUSCN-KRWDZBQOSA-N 2 2 374.485 0.468 20 0 FCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621646492 492400816 /nfs/dbraw/zinc/40/08/16/492400816.db2.gz XDIYZNMTTHVXTH-SJORKVTESA-N 2 2 368.522 0.452 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621651856 492402170 /nfs/dbraw/zinc/40/21/70/492402170.db2.gz RJVQQHXGCADNPR-SJORKVTESA-N 2 2 350.507 0.921 20 0 FCADLP [NH3+]C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCCC1 ZINC000648153660 492409890 /nfs/dbraw/zinc/40/98/90/492409890.db2.gz UMDXVMMAHUXSIK-OAHLLOKOSA-N 2 2 374.489 0.670 20 0 FCADLP [NH3+]C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCC1 ZINC000648153660 492409891 /nfs/dbraw/zinc/40/98/91/492409891.db2.gz UMDXVMMAHUXSIK-OAHLLOKOSA-N 2 2 374.489 0.670 20 0 FCADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000642983138 492411552 /nfs/dbraw/zinc/41/15/52/492411552.db2.gz VHZNMXCNPJWYHO-SFHVURJKSA-N 2 2 372.469 0.229 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)nc2)CC1 ZINC000643033418 492415080 /nfs/dbraw/zinc/41/50/80/492415080.db2.gz NGAPONDYXIDVTB-GDBMZVCRSA-N 2 2 365.503 0.206 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH+]cn2)CC1=O ZINC000643043672 492415372 /nfs/dbraw/zinc/41/53/72/492415372.db2.gz HICWMOKQXPCOIZ-JKSUJKDBSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc[nH+]2)CC1=O ZINC000643043672 492415374 /nfs/dbraw/zinc/41/53/74/492415374.db2.gz HICWMOKQXPCOIZ-JKSUJKDBSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH+]cn2)CC1=O ZINC000643043669 492415576 /nfs/dbraw/zinc/41/55/76/492415576.db2.gz HICWMOKQXPCOIZ-CVEARBPZSA-N 2 2 358.490 0.971 20 0 FCADLP CN1CCN(c2cc(N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc[nH+]2)CC1=O ZINC000643043669 492415578 /nfs/dbraw/zinc/41/55/78/492415578.db2.gz HICWMOKQXPCOIZ-CVEARBPZSA-N 2 2 358.490 0.971 20 0 FCADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000627933778 492424114 /nfs/dbraw/zinc/42/41/14/492424114.db2.gz DXOXWWOHTOZYQB-ACBHZAAOSA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000627933778 492424116 /nfs/dbraw/zinc/42/41/16/492424116.db2.gz DXOXWWOHTOZYQB-ACBHZAAOSA-N 2 2 359.470 0.867 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000627981303 492431378 /nfs/dbraw/zinc/43/13/78/492431378.db2.gz SITJSVYSRSGRHX-OAHLLOKOSA-N 2 2 370.409 0.995 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000627981303 492431384 /nfs/dbraw/zinc/43/13/84/492431384.db2.gz SITJSVYSRSGRHX-OAHLLOKOSA-N 2 2 370.409 0.995 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000643383012 492443930 /nfs/dbraw/zinc/44/39/30/492443930.db2.gz FZOQBVUBANOJMI-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)CC1 ZINC000643383012 492443933 /nfs/dbraw/zinc/44/39/33/492443933.db2.gz FZOQBVUBANOJMI-INIZCTEOSA-N 2 2 365.522 0.857 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446709 492444005 /nfs/dbraw/zinc/44/40/05/492444005.db2.gz IIUCXAYMRURXEG-OXQOHEQNSA-N 2 2 371.485 0.789 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446710 492444280 /nfs/dbraw/zinc/44/42/80/492444280.db2.gz IIUCXAYMRURXEG-UZLBHIALSA-N 2 2 371.485 0.789 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000622031621 492445971 /nfs/dbraw/zinc/44/59/71/492445971.db2.gz QLVUGWWJQRNOAG-UEXGIBASSA-N 2 2 370.497 0.712 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000622031621 492445973 /nfs/dbraw/zinc/44/59/73/492445973.db2.gz QLVUGWWJQRNOAG-UEXGIBASSA-N 2 2 370.497 0.712 20 0 FCADLP CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643397558 492448468 /nfs/dbraw/zinc/44/84/68/492448468.db2.gz ASKXEPICTKKQNB-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643397558 492448470 /nfs/dbraw/zinc/44/84/70/492448470.db2.gz ASKXEPICTKKQNB-USXIJHARSA-N 2 2 366.506 0.345 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000643416845 492453074 /nfs/dbraw/zinc/45/30/74/492453074.db2.gz JTPUWGJKURZFER-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000643416845 492453081 /nfs/dbraw/zinc/45/30/81/492453081.db2.gz JTPUWGJKURZFER-QGZVFWFLSA-N 2 2 366.506 0.300 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779154 492455176 /nfs/dbraw/zinc/45/51/76/492455176.db2.gz BTLSSMOIPIWSQM-YLFCFFPRSA-N 2 2 368.522 0.306 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779154 492455180 /nfs/dbraw/zinc/45/51/80/492455180.db2.gz BTLSSMOIPIWSQM-YLFCFFPRSA-N 2 2 368.522 0.306 20 0 FCADLP CC1([NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000643477430 492474314 /nfs/dbraw/zinc/47/43/14/492474314.db2.gz MOLYZUWRYMZGSM-UHFFFAOYSA-N 2 2 374.485 0.549 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000643478751 492475442 /nfs/dbraw/zinc/47/54/42/492475442.db2.gz ATIJMZYSKBTQGE-UHFFFAOYSA-N 2 2 360.458 0.080 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000643478794 492475483 /nfs/dbraw/zinc/47/54/83/492475483.db2.gz GNIIQWYXOBDENQ-NVXWUHKLSA-N 2 2 374.485 0.453 20 0 FCADLP CCCNC(=O)CN1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655689195 492476189 /nfs/dbraw/zinc/47/61/89/492476189.db2.gz YLAUEISQMCUJSR-GOSISDBHSA-N 2 2 352.523 0.820 20 0 FCADLP O=C(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643481220 492476832 /nfs/dbraw/zinc/47/68/32/492476832.db2.gz NHGFBUKLZJFTSZ-CALCHBBNSA-N 2 2 374.460 0.538 20 0 FCADLP O=C(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643481220 492476834 /nfs/dbraw/zinc/47/68/34/492476834.db2.gz NHGFBUKLZJFTSZ-CALCHBBNSA-N 2 2 374.460 0.538 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655704621 492476969 /nfs/dbraw/zinc/47/69/69/492476969.db2.gz GYLBODCFOYJOBR-MSOLQXFVSA-N 3 2 352.523 0.772 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655704621 492476972 /nfs/dbraw/zinc/47/69/72/492476972.db2.gz GYLBODCFOYJOBR-MSOLQXFVSA-N 3 2 352.523 0.772 20 0 FCADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655735884 492478823 /nfs/dbraw/zinc/47/88/23/492478823.db2.gz ZGYIQWMSSKOGRQ-CQSZACIVSA-N 2 2 359.517 0.869 20 0 FCADLP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655714652 492478853 /nfs/dbraw/zinc/47/88/53/492478853.db2.gz BRDNSZDDGWMRFR-OALUTQOASA-N 3 2 352.523 0.236 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000643514577 492487481 /nfs/dbraw/zinc/48/74/81/492487481.db2.gz VKJSNMHZGQTHQD-BQFCYCMXSA-N 2 2 374.485 0.294 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000643514577 492487485 /nfs/dbraw/zinc/48/74/85/492487485.db2.gz VKJSNMHZGQTHQD-BQFCYCMXSA-N 2 2 374.485 0.294 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC[C@@H]1[NH3+] ZINC000643524410 492490109 /nfs/dbraw/zinc/49/01/09/492490109.db2.gz WWVBSZWPXYZQRM-CVEARBPZSA-N 2 2 354.495 0.141 20 0 FCADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000635685513 492491217 /nfs/dbraw/zinc/49/12/17/492491217.db2.gz LKPYIKIFTQWDSF-ROUUACIJSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000635685513 492491221 /nfs/dbraw/zinc/49/12/21/492491221.db2.gz LKPYIKIFTQWDSF-ROUUACIJSA-N 2 2 351.491 0.953 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@@H]1[NH3+] ZINC000643553857 492498364 /nfs/dbraw/zinc/49/83/64/492498364.db2.gz SUOYRDDVDTXEFX-CJNGLKHVSA-N 2 2 359.474 0.731 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[C@H]1[NH3+] ZINC000643553859 492498642 /nfs/dbraw/zinc/49/86/42/492498642.db2.gz SUOYRDDVDTXEFX-XJKSGUPXSA-N 2 2 359.474 0.731 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1)Nc1ccccc1 ZINC000649284060 492521624 /nfs/dbraw/zinc/52/16/24/492521624.db2.gz HDAKLUZZFREWCJ-OAHLLOKOSA-N 2 2 360.458 0.442 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656059794 492525038 /nfs/dbraw/zinc/52/50/38/492525038.db2.gz FZBGWZLLKWHXOF-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP CC[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCO[C@@H](CC)C1 ZINC000628585306 492525068 /nfs/dbraw/zinc/52/50/68/492525068.db2.gz XHBFXWWMNJGJMD-JYJNAYRXSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCO[C@@H](CC)C1 ZINC000628585306 492525071 /nfs/dbraw/zinc/52/50/71/492525071.db2.gz XHBFXWWMNJGJMD-JYJNAYRXSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@@H](CC)C1 ZINC000628585306 492525075 /nfs/dbraw/zinc/52/50/75/492525075.db2.gz XHBFXWWMNJGJMD-JYJNAYRXSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@@H](CC)C1 ZINC000628585306 492525078 /nfs/dbraw/zinc/52/50/78/492525078.db2.gz XHBFXWWMNJGJMD-JYJNAYRXSA-N 2 2 354.495 0.332 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000656059794 492525040 /nfs/dbraw/zinc/52/50/40/492525040.db2.gz FZBGWZLLKWHXOF-YESZJQIVSA-N 2 2 368.522 0.401 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1C ZINC000649298698 492526461 /nfs/dbraw/zinc/52/64/61/492526461.db2.gz WVXGTVFJLYFEKV-SJORKVTESA-N 2 2 356.474 0.923 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)CCC(C)(C)[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000649301123 492526863 /nfs/dbraw/zinc/52/68/63/492526863.db2.gz HAZUOAOPERQQJI-GOEBONIOSA-N 2 2 356.511 0.483 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649303005 492528121 /nfs/dbraw/zinc/52/81/21/492528121.db2.gz NIWIMCRPMMUDDH-HNNXBMFYSA-N 2 2 356.430 0.897 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)nn1 ZINC000649343341 492540517 /nfs/dbraw/zinc/54/05/17/492540517.db2.gz ZFWYRXWFFFTZDF-SUMWQHHRSA-N 2 2 369.429 0.814 20 0 FCADLP CC1(C)C[NH2+]CCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000649409946 492551753 /nfs/dbraw/zinc/55/17/53/492551753.db2.gz CPOSGICSDYLFFB-UHFFFAOYSA-N 2 2 360.502 0.819 20 0 FCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410749 492552257 /nfs/dbraw/zinc/55/22/57/492552257.db2.gz QMMGHGCQZAVSBB-YJBOKZPZSA-N 2 2 364.465 0.912 20 0 FCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000649410749 492552260 /nfs/dbraw/zinc/55/22/60/492552260.db2.gz QMMGHGCQZAVSBB-YJBOKZPZSA-N 2 2 364.465 0.912 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@H]3CCCS3(=O)=O)c2)CC1 ZINC000636311129 492579138 /nfs/dbraw/zinc/57/91/38/492579138.db2.gz DGHBBCKEDUQCMW-CQSZACIVSA-N 2 2 352.460 0.739 20 0 FCADLP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000636318025 492582570 /nfs/dbraw/zinc/58/25/70/492582570.db2.gz ONHMBWJKXVTTHC-INIZCTEOSA-N 2 2 358.486 0.666 20 0 FCADLP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000636318025 492582574 /nfs/dbraw/zinc/58/25/74/492582574.db2.gz ONHMBWJKXVTTHC-INIZCTEOSA-N 2 2 358.486 0.666 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000629168233 492582809 /nfs/dbraw/zinc/58/28/09/492582809.db2.gz KCMZHNQSHWWYET-GOSISDBHSA-N 3 2 352.523 0.366 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000629168233 492582811 /nfs/dbraw/zinc/58/28/11/492582811.db2.gz KCMZHNQSHWWYET-GOSISDBHSA-N 3 2 352.523 0.366 20 0 FCADLP C[C@H](CCO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000649867717 492589604 /nfs/dbraw/zinc/58/96/04/492589604.db2.gz QGWMGBNKZKFZRU-MRXNPFEDSA-N 2 2 361.486 0.968 20 0 FCADLP C[C@H](CCO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000649867717 492589609 /nfs/dbraw/zinc/58/96/09/492589609.db2.gz QGWMGBNKZKFZRU-MRXNPFEDSA-N 2 2 361.486 0.968 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000623783755 492595048 /nfs/dbraw/zinc/59/50/48/492595048.db2.gz SWUKSKHKMAQEPP-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000623783755 492595050 /nfs/dbraw/zinc/59/50/50/492595050.db2.gz SWUKSKHKMAQEPP-IAGOWNOFSA-N 2 2 368.522 0.992 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656355519 492610970 /nfs/dbraw/zinc/61/09/70/492610970.db2.gz KZOIVLXATPQPDZ-CABCVRRESA-N 2 2 354.520 0.285 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656355519 492610972 /nfs/dbraw/zinc/61/09/72/492610972.db2.gz KZOIVLXATPQPDZ-CABCVRRESA-N 2 2 354.520 0.285 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356845 492611390 /nfs/dbraw/zinc/61/13/90/492611390.db2.gz HIYBOQZCHFJROY-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356845 492611392 /nfs/dbraw/zinc/61/13/92/492611392.db2.gz HIYBOQZCHFJROY-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636557355 492621717 /nfs/dbraw/zinc/62/17/17/492621717.db2.gz RHYQGGJTALSCAL-VQIMIIECSA-N 2 2 368.522 0.776 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636557355 492621720 /nfs/dbraw/zinc/62/17/20/492621720.db2.gz RHYQGGJTALSCAL-VQIMIIECSA-N 2 2 368.522 0.776 20 0 FCADLP CO[C@H]1CS(=O)(=O)C[C@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472540 492624355 /nfs/dbraw/zinc/62/43/55/492624355.db2.gz IYOQCYUASYYEQN-OLZOCXBDSA-N 2 2 360.399 0.434 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563473 492645321 /nfs/dbraw/zinc/64/53/21/492645321.db2.gz QOVDIWJUFKEXGB-YVECIDJPSA-N 2 2 364.412 0.558 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563473 492645322 /nfs/dbraw/zinc/64/53/22/492645322.db2.gz QOVDIWJUFKEXGB-YVECIDJPSA-N 2 2 364.412 0.558 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629562279 492645851 /nfs/dbraw/zinc/64/58/51/492645851.db2.gz AFYNWOUDCFPSEE-STQMWFEESA-N 2 2 350.385 0.136 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629562279 492645856 /nfs/dbraw/zinc/64/58/56/492645856.db2.gz AFYNWOUDCFPSEE-STQMWFEESA-N 2 2 350.385 0.136 20 0 FCADLP Cc1cc2ncn(C[C@H](O)C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)c2cc1C ZINC000629606126 492658939 /nfs/dbraw/zinc/65/89/39/492658939.db2.gz OKFAKKLZDPAUQL-AEFFLSMTSA-N 2 2 373.501 0.943 20 0 FCADLP Cc1cc2ncn(C[C@H](O)C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)c2cc1C ZINC000629606126 492658944 /nfs/dbraw/zinc/65/89/44/492658944.db2.gz OKFAKKLZDPAUQL-AEFFLSMTSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000624578699 492661868 /nfs/dbraw/zinc/66/18/68/492661868.db2.gz RQIDIJWVRVSHGW-GOSISDBHSA-N 2 2 359.518 0.561 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000650837936 492674640 /nfs/dbraw/zinc/67/46/40/492674640.db2.gz YPIHSAFPZAISCG-UHFFFAOYSA-N 2 2 372.510 0.087 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000650837936 492674642 /nfs/dbraw/zinc/67/46/42/492674642.db2.gz YPIHSAFPZAISCG-UHFFFAOYSA-N 2 2 372.510 0.087 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000624733046 492676411 /nfs/dbraw/zinc/67/64/11/492676411.db2.gz RVHQZKFSTZAYAT-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000624733046 492676414 /nfs/dbraw/zinc/67/64/14/492676414.db2.gz RVHQZKFSTZAYAT-INIZCTEOSA-N 2 2 354.495 0.603 20 0 FCADLP CCN1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877499 492679745 /nfs/dbraw/zinc/67/97/45/492679745.db2.gz XFXWSWISNUJBQY-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP CCN1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000650877499 492679750 /nfs/dbraw/zinc/67/97/50/492679750.db2.gz XFXWSWISNUJBQY-CABCVRRESA-N 2 2 351.495 0.323 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(F)(F)F ZINC000636792594 492694599 /nfs/dbraw/zinc/69/45/99/492694599.db2.gz XUWTWLBVXRRFAO-DMDPSCGWSA-N 2 2 352.401 0.766 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(F)(F)F ZINC000636792594 492694602 /nfs/dbraw/zinc/69/46/02/492694602.db2.gz XUWTWLBVXRRFAO-DMDPSCGWSA-N 2 2 352.401 0.766 20 0 FCADLP Cc1cc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(N2CCCC2)[nH+]1 ZINC000651107948 492710620 /nfs/dbraw/zinc/71/06/20/492710620.db2.gz XZENLDCHCYWJPB-QGZVFWFLSA-N 2 2 359.474 0.951 20 0 FCADLP Cc1cc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(N2CCCC2)[nH+]1 ZINC000651107948 492710621 /nfs/dbraw/zinc/71/06/21/492710621.db2.gz XZENLDCHCYWJPB-QGZVFWFLSA-N 2 2 359.474 0.951 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000657091607 492715151 /nfs/dbraw/zinc/71/51/51/492715151.db2.gz NACSLXSQEWKGTD-UHFFFAOYSA-N 2 2 353.439 0.310 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000657091607 492715157 /nfs/dbraw/zinc/71/51/57/492715157.db2.gz NACSLXSQEWKGTD-UHFFFAOYSA-N 2 2 353.439 0.310 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000636902018 492724724 /nfs/dbraw/zinc/72/47/24/492724724.db2.gz HDYARNXYLOHLJL-KRWDZBQOSA-N 2 2 357.458 0.992 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000636902018 492724727 /nfs/dbraw/zinc/72/47/27/492724727.db2.gz HDYARNXYLOHLJL-KRWDZBQOSA-N 2 2 357.458 0.992 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C[N@H+]1C1CC1 ZINC000636907293 492725420 /nfs/dbraw/zinc/72/54/20/492725420.db2.gz MZFDEWLGCCGCTP-SPYBWZPUSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C[NH+]1C1CC1 ZINC000636907293 492725422 /nfs/dbraw/zinc/72/54/22/492725422.db2.gz MZFDEWLGCCGCTP-SPYBWZPUSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C[NH+]1C1CC1 ZINC000636907293 492725427 /nfs/dbraw/zinc/72/54/27/492725427.db2.gz MZFDEWLGCCGCTP-SPYBWZPUSA-N 2 2 366.506 0.527 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000644371414 492727569 /nfs/dbraw/zinc/72/75/69/492727569.db2.gz ZXPDGMBTOXSRBG-VIQHNZTISA-N 2 2 354.495 0.383 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000644371414 492727574 /nfs/dbraw/zinc/72/75/74/492727574.db2.gz ZXPDGMBTOXSRBG-VIQHNZTISA-N 2 2 354.495 0.383 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000637015086 492749968 /nfs/dbraw/zinc/74/99/68/492749968.db2.gz LGPMDGCTPZGAMR-JKSUJKDBSA-N 2 2 351.495 0.467 20 0 FCADLP Cc1cn2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2[nH+]1 ZINC000657519291 492755771 /nfs/dbraw/zinc/75/57/71/492755771.db2.gz ZDSKVQGXJUYSLV-UHFFFAOYSA-N 2 2 372.473 0.723 20 0 FCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657521044 492756053 /nfs/dbraw/zinc/75/60/53/492756053.db2.gz AXAIVDGEVMYJBK-HNNXBMFYSA-N 2 2 372.473 0.723 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cn1 ZINC000630624645 492757320 /nfs/dbraw/zinc/75/73/20/492757320.db2.gz IMAHANXVVOAFBG-UHFFFAOYSA-N 2 2 358.446 0.606 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)c3cnn(CC[NH+](C)C)c3)c[nH+]2)CCO1 ZINC000630747153 492771662 /nfs/dbraw/zinc/77/16/62/492771662.db2.gz MAPDOOMDSCOANS-HNNXBMFYSA-N 2 2 372.473 0.995 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000644519370 492780239 /nfs/dbraw/zinc/78/02/39/492780239.db2.gz QMLWJXSUBYGTNS-INIZCTEOSA-N 2 2 357.520 0.787 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000644519370 492780244 /nfs/dbraw/zinc/78/02/44/492780244.db2.gz QMLWJXSUBYGTNS-INIZCTEOSA-N 2 2 357.520 0.787 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000644513166 492780358 /nfs/dbraw/zinc/78/03/58/492780358.db2.gz SWSINQOYKSYGOX-CQSZACIVSA-N 2 2 369.512 0.978 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000644513166 492780360 /nfs/dbraw/zinc/78/03/60/492780360.db2.gz SWSINQOYKSYGOX-CQSZACIVSA-N 2 2 369.512 0.978 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528525 492782783 /nfs/dbraw/zinc/78/27/83/492782783.db2.gz GLYNVFHKXCNIIK-SJORKVTESA-N 2 2 355.504 0.493 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528525 492782785 /nfs/dbraw/zinc/78/27/85/492782785.db2.gz GLYNVFHKXCNIIK-SJORKVTESA-N 2 2 355.504 0.493 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570480 492785330 /nfs/dbraw/zinc/78/53/30/492785330.db2.gz MHLXNOHPUWQYQB-QZTJIDSGSA-N 2 2 357.458 0.608 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)cn1 ZINC000644570480 492785333 /nfs/dbraw/zinc/78/53/33/492785333.db2.gz MHLXNOHPUWQYQB-QZTJIDSGSA-N 2 2 357.458 0.608 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000644569743 492785351 /nfs/dbraw/zinc/78/53/51/492785351.db2.gz SYCYXVUJVFVCHO-RTBURBONSA-N 2 2 351.466 0.725 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]CC2(O)CCC2)CC1 ZINC000644570031 492785894 /nfs/dbraw/zinc/78/58/94/492785894.db2.gz UVCWNXGTHHXDBD-UHFFFAOYSA-N 2 2 353.488 0.627 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577673 492786735 /nfs/dbraw/zinc/78/67/35/492786735.db2.gz NATZCAJSUJWTSM-MSOLQXFVSA-N 2 2 371.485 0.998 20 0 FCADLP Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2=O)n1 ZINC000644577673 492786740 /nfs/dbraw/zinc/78/67/40/492786740.db2.gz NATZCAJSUJWTSM-MSOLQXFVSA-N 2 2 371.485 0.998 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743917 492787302 /nfs/dbraw/zinc/78/73/02/492787302.db2.gz DOKZSWHUQMVNPQ-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000657743917 492787303 /nfs/dbraw/zinc/78/73/03/492787303.db2.gz DOKZSWHUQMVNPQ-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000657741369 492787485 /nfs/dbraw/zinc/78/74/85/492787485.db2.gz KAAUMSZDQJZUFM-SJORKVTESA-N 2 2 366.506 0.299 20 0 FCADLP CCc1n[nH]c(=O)c(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1CC ZINC000644596453 492790334 /nfs/dbraw/zinc/79/03/34/492790334.db2.gz ZERKRWLYDHFTRU-MCIONIFRSA-N 2 2 352.479 0.867 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccccc1S(N)(=O)=O ZINC000644647474 492796341 /nfs/dbraw/zinc/79/63/41/492796341.db2.gz ONHWXWSOLAINPG-KRWDZBQOSA-N 2 2 363.483 0.917 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccccc1S(N)(=O)=O ZINC000644647474 492796344 /nfs/dbraw/zinc/79/63/44/492796344.db2.gz ONHWXWSOLAINPG-KRWDZBQOSA-N 2 2 363.483 0.917 20 0 FCADLP O[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cn1ccnn1 ZINC000631157885 492800697 /nfs/dbraw/zinc/80/06/97/492800697.db2.gz IEUAOMCCEFDNGN-QGZVFWFLSA-N 2 2 361.446 0.140 20 0 FCADLP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cn1ccnn1 ZINC000631157884 492801221 /nfs/dbraw/zinc/80/12/21/492801221.db2.gz IEUAOMCCEFDNGN-KRWDZBQOSA-N 2 2 361.446 0.140 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cncc(N4CCCC4)n3)C2)CC1 ZINC000631258701 492807260 /nfs/dbraw/zinc/80/72/60/492807260.db2.gz CRJKILVFCHZGRF-OAHLLOKOSA-N 2 2 358.490 0.975 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cncc(N4CCCC4)n3)C2)CC1 ZINC000631258701 492807265 /nfs/dbraw/zinc/80/72/65/492807265.db2.gz CRJKILVFCHZGRF-OAHLLOKOSA-N 2 2 358.490 0.975 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000637372388 492813255 /nfs/dbraw/zinc/81/32/55/492813255.db2.gz CVGOQFOSKDMRGD-KBPBESRZSA-N 2 2 362.478 0.852 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000637372388 492813256 /nfs/dbraw/zinc/81/32/56/492813256.db2.gz CVGOQFOSKDMRGD-KBPBESRZSA-N 2 2 362.478 0.852 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1cccs1 ZINC000631655828 492830201 /nfs/dbraw/zinc/83/02/01/492830201.db2.gz IUOKBULREJHJJS-HNNXBMFYSA-N 2 2 374.576 0.908 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000644954658 492833695 /nfs/dbraw/zinc/83/36/95/492833695.db2.gz ZTXCYWTYZZWLNW-CQSZACIVSA-N 2 2 360.487 1.000 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000644954658 492833696 /nfs/dbraw/zinc/83/36/96/492833696.db2.gz ZTXCYWTYZZWLNW-CQSZACIVSA-N 2 2 360.487 1.000 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[C@H](C)[N@H+]1CCO ZINC000651852162 492835363 /nfs/dbraw/zinc/83/53/63/492835363.db2.gz OPOFKQDZYKANCE-OKILXGFUSA-N 2 2 372.429 0.119 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C[C@H](C)[N@@H+]1CCO ZINC000651852162 492835365 /nfs/dbraw/zinc/83/53/65/492835365.db2.gz OPOFKQDZYKANCE-OKILXGFUSA-N 2 2 372.429 0.119 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C[C@@H]1O ZINC000637681835 492858443 /nfs/dbraw/zinc/85/84/43/492858443.db2.gz VSPFQPXMVLJWLG-GJZGRUSLSA-N 2 2 365.503 0.451 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)nn1 ZINC000631847277 492863141 /nfs/dbraw/zinc/86/31/41/492863141.db2.gz QUCCCMKFIRUZKC-GOEBONIOSA-N 2 2 356.430 0.624 20 0 FCADLP [NH3+]Cc1cn([C@H]2CC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)nn1 ZINC000631847277 492863145 /nfs/dbraw/zinc/86/31/45/492863145.db2.gz QUCCCMKFIRUZKC-GOEBONIOSA-N 2 2 356.430 0.624 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCCN1CCCCCC1=O ZINC000631886846 492870596 /nfs/dbraw/zinc/87/05/96/492870596.db2.gz KEDRLIYOFCGOEI-DLBZAZTESA-N 2 2 350.507 0.969 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCCN1CCCCCC1=O ZINC000631886846 492870599 /nfs/dbraw/zinc/87/05/99/492870599.db2.gz KEDRLIYOFCGOEI-DLBZAZTESA-N 2 2 350.507 0.969 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631909921 492877004 /nfs/dbraw/zinc/87/70/04/492877004.db2.gz SSGHAZSYVUQKLR-AWEZNQCLSA-N 2 2 352.460 0.643 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645218187 492879796 /nfs/dbraw/zinc/87/97/96/492879796.db2.gz MFKQHWGWBDILTE-STQMWFEESA-N 2 2 359.453 1.118 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631915918 492881536 /nfs/dbraw/zinc/88/15/36/492881536.db2.gz QDBVVMBQZWEBKN-UXLLHSPISA-N 2 2 374.551 0.489 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)N(C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000631915918 492881539 /nfs/dbraw/zinc/88/15/39/492881539.db2.gz QDBVVMBQZWEBKN-UXLLHSPISA-N 2 2 374.551 0.489 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000658423360 492882265 /nfs/dbraw/zinc/88/22/65/492882265.db2.gz MUMHLTCLAMKCGK-KBPBESRZSA-N 2 2 359.430 0.807 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000658423360 492882269 /nfs/dbraw/zinc/88/22/69/492882269.db2.gz MUMHLTCLAMKCGK-KBPBESRZSA-N 2 2 359.430 0.807 20 0 FCADLP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000658432515 492888804 /nfs/dbraw/zinc/88/88/04/492888804.db2.gz LCYHOUHYLZSMHQ-UHFFFAOYSA-N 2 2 374.485 0.230 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)C1 ZINC000652182921 492891415 /nfs/dbraw/zinc/89/14/15/492891415.db2.gz HLYZOZGBCNXTRR-GVDBMIGSSA-N 2 2 366.506 0.779 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)NCCC2CC[NH2+]CC2)CC(=O)N1C ZINC000652190614 492893940 /nfs/dbraw/zinc/89/39/40/492893940.db2.gz USLBXXXRRYEHTE-GOEBONIOSA-N 2 2 362.478 0.628 20 0 FCADLP Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631942894 492894310 /nfs/dbraw/zinc/89/43/10/492894310.db2.gz IPBSXAIKGNONDQ-UHFFFAOYSA-N 2 2 366.531 0.872 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000652204978 492894479 /nfs/dbraw/zinc/89/44/79/492894479.db2.gz JAOWIWHJXQFYIG-KRWDZBQOSA-N 2 2 356.511 0.884 20 0 FCADLP Cc1cccc2[nH+]c(CCNS(=O)(=O)N(C)C3CC[NH2+]CC3)cn21 ZINC000631947461 492895227 /nfs/dbraw/zinc/89/52/27/492895227.db2.gz DNWJITXCYCNBRI-UHFFFAOYSA-N 2 2 351.476 0.703 20 0 FCADLP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638051686 492896520 /nfs/dbraw/zinc/89/65/20/492896520.db2.gz OMEDAMWTMQOLCK-ZIAGYGMSSA-N 2 2 350.488 0.822 20 0 FCADLP O=C(CN1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000638057052 492897959 /nfs/dbraw/zinc/89/79/59/492897959.db2.gz PRSQWTFDIQDUSP-UHFFFAOYSA-N 2 2 366.893 0.768 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638055814 492898002 /nfs/dbraw/zinc/89/80/02/492898002.db2.gz KOZKZBGFIZEIHJ-OAHLLOKOSA-N 2 2 370.497 0.686 20 0 FCADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000645357815 492898711 /nfs/dbraw/zinc/89/87/11/492898711.db2.gz OCDGLVBVFBJGIK-UHFFFAOYSA-N 2 2 359.430 0.808 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000638062112 492898881 /nfs/dbraw/zinc/89/88/81/492898881.db2.gz KIKFQTOQDIEFOW-LJQANCHMSA-N 2 2 374.485 0.852 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000638062112 492898882 /nfs/dbraw/zinc/89/88/82/492898882.db2.gz KIKFQTOQDIEFOW-LJQANCHMSA-N 2 2 374.485 0.852 20 0 FCADLP C[NH+]1CCC2(CC1)CN(c1cc(N3CCC[C@H](CO)C3)nc[nH+]1)CCO2 ZINC000645385425 492901458 /nfs/dbraw/zinc/90/14/58/492901458.db2.gz VTHOTUFIYDWPRK-INIZCTEOSA-N 2 2 361.490 0.986 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1 ZINC000638101985 492905945 /nfs/dbraw/zinc/90/59/45/492905945.db2.gz FVHJFHNBPHIWAS-SFHVURJKSA-N 2 2 360.502 0.641 20 0 FCADLP Cc1[nH+]ccn1CCCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632027704 492913729 /nfs/dbraw/zinc/91/37/29/492913729.db2.gz LNPFSZNHKIJFMO-UHFFFAOYSA-N 2 2 357.524 0.529 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350961 492914256 /nfs/dbraw/zinc/91/42/56/492914256.db2.gz BGOPGEDUMPOYSE-DCGLDWPTSA-N 2 2 366.487 0.722 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350961 492914258 /nfs/dbraw/zinc/91/42/58/492914258.db2.gz BGOPGEDUMPOYSE-DCGLDWPTSA-N 2 2 366.487 0.722 20 0 FCADLP CN1CC[NH+]([C@H](CNC(=O)CN2CC[NH2+]CC2)c2cccs2)CC1 ZINC000638136571 492915330 /nfs/dbraw/zinc/91/53/30/492915330.db2.gz ZXTDOCHNZXZCRF-OAHLLOKOSA-N 2 2 351.520 0.058 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000652359325 492915743 /nfs/dbraw/zinc/91/57/43/492915743.db2.gz DSBDXZLJBKEKQE-GDBMZVCRSA-N 2 2 359.536 0.861 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCO2)CC1 ZINC000638142031 492916858 /nfs/dbraw/zinc/91/68/58/492916858.db2.gz XHXMTBLHTWFYMF-IBGZPJMESA-N 2 2 372.513 0.350 20 0 FCADLP O=C1NC[C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCN12 ZINC000638164706 492919674 /nfs/dbraw/zinc/91/96/74/492919674.db2.gz ITHKEMNBNSINFH-KRWDZBQOSA-N 2 2 360.458 0.607 20 0 FCADLP O=C1NC[C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CCN12 ZINC000638164706 492919677 /nfs/dbraw/zinc/91/96/77/492919677.db2.gz ITHKEMNBNSINFH-KRWDZBQOSA-N 2 2 360.458 0.607 20 0 FCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658514138 492922064 /nfs/dbraw/zinc/92/20/64/492922064.db2.gz HPFDUWAMXJDFCW-RDJZCZTQSA-N 2 2 366.506 0.108 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638275414 492926850 /nfs/dbraw/zinc/92/68/50/492926850.db2.gz RPQJNSVQDZMHTK-QGZVFWFLSA-N 2 2 362.474 0.235 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638275414 492926854 /nfs/dbraw/zinc/92/68/54/492926854.db2.gz RPQJNSVQDZMHTK-QGZVFWFLSA-N 2 2 362.474 0.235 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC000638301570 492931108 /nfs/dbraw/zinc/93/11/08/492931108.db2.gz LJRJIJTVTGFJAN-UHFFFAOYSA-N 2 2 359.474 0.194 20 0 FCADLP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658533685 492933442 /nfs/dbraw/zinc/93/34/42/492933442.db2.gz XQRFJABHYCYTNV-QGZVFWFLSA-N 2 2 374.485 0.662 20 0 FCADLP CCC[C@@H](C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000638370202 492940645 /nfs/dbraw/zinc/94/06/45/492940645.db2.gz JONBWOXHWOTOEJ-INIZCTEOSA-N 2 2 370.519 0.938 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)CCC(=O)N1C1CC1 ZINC000638449442 492948669 /nfs/dbraw/zinc/94/86/69/492948669.db2.gz QXDNGDROZJMNMQ-CPUCHLNUSA-N 2 2 359.474 0.978 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000638753216 492975808 /nfs/dbraw/zinc/97/58/08/492975808.db2.gz SERHTHGDMRRXEF-IAGOWNOFSA-N 2 2 355.446 0.488 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000638753216 492975814 /nfs/dbraw/zinc/97/58/14/492975814.db2.gz SERHTHGDMRRXEF-IAGOWNOFSA-N 2 2 355.446 0.488 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)CC2)C1=O ZINC000638856259 492982492 /nfs/dbraw/zinc/98/24/92/492982492.db2.gz LUJKOFNIHJBNRK-HZPDHXFCSA-N 2 2 366.412 0.776 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)CC2)C1=O ZINC000638856257 492982796 /nfs/dbraw/zinc/98/27/96/492982796.db2.gz LUJKOFNIHJBNRK-CVEARBPZSA-N 2 2 366.412 0.776 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003305 492991469 /nfs/dbraw/zinc/99/14/69/492991469.db2.gz GLEXCHDUGZPOCH-GOSISDBHSA-N 2 2 355.442 0.872 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658652918 492992707 /nfs/dbraw/zinc/99/27/07/492992707.db2.gz TTZVAYHEZXGUOW-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652703154 492995950 /nfs/dbraw/zinc/99/59/50/492995950.db2.gz LXPUXYYEQQSGRP-GOSISDBHSA-N 2 2 356.470 0.408 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652703154 492995952 /nfs/dbraw/zinc/99/59/52/492995952.db2.gz LXPUXYYEQQSGRP-GOSISDBHSA-N 2 2 356.470 0.408 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652703617 492996009 /nfs/dbraw/zinc/99/60/09/492996009.db2.gz WEWRXTODODXSQZ-NXHRZFHOSA-N 2 2 358.486 0.486 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652703617 492996011 /nfs/dbraw/zinc/99/60/11/492996011.db2.gz WEWRXTODODXSQZ-NXHRZFHOSA-N 2 2 358.486 0.486 20 0 FCADLP [NH3+]C1(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000645981731 492996190 /nfs/dbraw/zinc/99/61/90/492996190.db2.gz UZGYJRFAHXIGAY-HNNXBMFYSA-N 2 2 374.489 0.670 20 0 FCADLP [NH3+]C1(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000645981731 492996193 /nfs/dbraw/zinc/99/61/93/492996193.db2.gz UZGYJRFAHXIGAY-HNNXBMFYSA-N 2 2 374.489 0.670 20 0 FCADLP O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]12 ZINC000639246977 493002984 /nfs/dbraw/zinc/00/29/84/493002984.db2.gz QKSNYETWCGAFHK-CALCHBBNSA-N 2 2 359.426 0.102 20 0 FCADLP O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]12 ZINC000639246977 493002987 /nfs/dbraw/zinc/00/29/87/493002987.db2.gz QKSNYETWCGAFHK-CALCHBBNSA-N 2 2 359.426 0.102 20 0 FCADLP OC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000639271298 493004644 /nfs/dbraw/zinc/00/46/44/493004644.db2.gz UIJGSWUIMCUVRK-MJGOQNOKSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000639271298 493004646 /nfs/dbraw/zinc/00/46/46/493004646.db2.gz UIJGSWUIMCUVRK-MJGOQNOKSA-N 2 2 350.459 0.573 20 0 FCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639445979 493010696 /nfs/dbraw/zinc/01/06/96/493010696.db2.gz LQOFKNNQNYFTCD-OAQYLSRUSA-N 2 2 374.529 0.766 20 0 FCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639445979 493010699 /nfs/dbraw/zinc/01/06/99/493010699.db2.gz LQOFKNNQNYFTCD-OAQYLSRUSA-N 2 2 374.529 0.766 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000652736597 493012656 /nfs/dbraw/zinc/01/26/56/493012656.db2.gz JLBSCBGXNRHHPT-PLMTUMEDSA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000652736597 493012657 /nfs/dbraw/zinc/01/26/57/493012657.db2.gz JLBSCBGXNRHHPT-PLMTUMEDSA-N 2 2 372.513 0.815 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000646104709 493013172 /nfs/dbraw/zinc/01/31/72/493013172.db2.gz UNMUIDMPZWVDAE-UHFFFAOYSA-N 3 2 352.523 0.772 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000646104709 493013174 /nfs/dbraw/zinc/01/31/74/493013174.db2.gz UNMUIDMPZWVDAE-UHFFFAOYSA-N 3 2 352.523 0.772 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000652736606 493013592 /nfs/dbraw/zinc/01/35/92/493013592.db2.gz JPLPIHGRQIXYAO-JZXOWHBKSA-N 2 2 358.486 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000652736606 493013593 /nfs/dbraw/zinc/01/35/93/493013593.db2.gz JPLPIHGRQIXYAO-JZXOWHBKSA-N 2 2 358.486 0.581 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736955 493013676 /nfs/dbraw/zinc/01/36/76/493013676.db2.gz UZNUARCAQYMRMN-OALUTQOASA-N 2 2 372.513 0.959 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000652736955 493013679 /nfs/dbraw/zinc/01/36/79/493013679.db2.gz UZNUARCAQYMRMN-OALUTQOASA-N 2 2 372.513 0.959 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558891 493019503 /nfs/dbraw/zinc/01/95/03/493019503.db2.gz JMMHRPWRGNRZRL-DLBZAZTESA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639558891 493019507 /nfs/dbraw/zinc/01/95/07/493019507.db2.gz JMMHRPWRGNRZRL-DLBZAZTESA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639558891 493019511 /nfs/dbraw/zinc/01/95/11/493019511.db2.gz JMMHRPWRGNRZRL-DLBZAZTESA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639558891 493019515 /nfs/dbraw/zinc/01/95/15/493019515.db2.gz JMMHRPWRGNRZRL-DLBZAZTESA-N 2 2 353.488 0.376 20 0 FCADLP CNc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000626819166 493025629 /nfs/dbraw/zinc/02/56/29/493025629.db2.gz QGQVMJBLYISZMO-MRXNPFEDSA-N 2 2 359.474 0.952 20 0 FCADLP CNc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000626819166 493025633 /nfs/dbraw/zinc/02/56/33/493025633.db2.gz QGQVMJBLYISZMO-MRXNPFEDSA-N 2 2 359.474 0.952 20 0 FCADLP Cc1c(N)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000626818222 493026239 /nfs/dbraw/zinc/02/62/39/493026239.db2.gz CMJCAXGRVAHEMN-AWEZNQCLSA-N 2 2 359.474 0.800 20 0 FCADLP Cc1c(N)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000626818222 493026243 /nfs/dbraw/zinc/02/62/43/493026243.db2.gz CMJCAXGRVAHEMN-AWEZNQCLSA-N 2 2 359.474 0.800 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658785184 493054382 /nfs/dbraw/zinc/05/43/82/493054382.db2.gz LVFVFAYMMZNPMH-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855613 493058192 /nfs/dbraw/zinc/05/81/92/493058192.db2.gz VTEBKQYTAAEYPP-NVXWUHKLSA-N 2 2 353.488 0.210 20 0 FCADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000639855613 493058193 /nfs/dbraw/zinc/05/81/93/493058193.db2.gz VTEBKQYTAAEYPP-NVXWUHKLSA-N 2 2 353.488 0.210 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626921158 493063925 /nfs/dbraw/zinc/06/39/25/493063925.db2.gz TVRLGXPXUANXJI-QGZVFWFLSA-N 2 2 350.463 0.504 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626921158 493063928 /nfs/dbraw/zinc/06/39/28/493063928.db2.gz TVRLGXPXUANXJI-QGZVFWFLSA-N 2 2 350.463 0.504 20 0 FCADLP CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058159 493065119 /nfs/dbraw/zinc/06/51/19/493065119.db2.gz HEKQTCNDDNDJSN-CYBMUJFWSA-N 2 2 371.507 0.586 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000653064512 493065296 /nfs/dbraw/zinc/06/52/96/493065296.db2.gz XRIVVCBXUXQWTQ-OAHLLOKOSA-N 2 2 352.866 0.903 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000626930060 493065611 /nfs/dbraw/zinc/06/56/11/493065611.db2.gz WPIZTMWYRXPMRT-INIZCTEOSA-N 2 2 370.461 0.807 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626934456 493066598 /nfs/dbraw/zinc/06/65/98/493066598.db2.gz FZVVVSOSOXYQSX-JHJVBQTASA-N 2 2 352.401 0.876 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000653079901 493067975 /nfs/dbraw/zinc/06/79/75/493067975.db2.gz RZQMODXSPMRAEN-KRWDZBQOSA-N 2 2 364.465 0.708 20 0 FCADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000626943735 493068570 /nfs/dbraw/zinc/06/85/70/493068570.db2.gz HXKSNJRTJOCWPT-ROUUACIJSA-N 2 2 362.474 0.656 20 0 FCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000653085095 493069032 /nfs/dbraw/zinc/06/90/32/493069032.db2.gz CQNGUBGVJKXYQB-DOMZBBRYSA-N 2 2 356.492 0.393 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000653093513 493069465 /nfs/dbraw/zinc/06/94/65/493069465.db2.gz FRXXJVQCPSVJIF-OAHLLOKOSA-N 2 2 352.866 0.790 20 0 FCADLP COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)N2CCOCC2)cc1 ZINC000653105332 493071062 /nfs/dbraw/zinc/07/10/62/493071062.db2.gz QPVKUFWDQDSYLO-QZTJIDSGSA-N 2 2 364.490 0.464 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626970699 493072029 /nfs/dbraw/zinc/07/20/29/493072029.db2.gz UAJLTRRJYGRVOU-JHJVBQTASA-N 2 2 352.401 0.876 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626970699 493072034 /nfs/dbraw/zinc/07/20/34/493072034.db2.gz UAJLTRRJYGRVOU-JHJVBQTASA-N 2 2 352.401 0.876 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000653114322 493072997 /nfs/dbraw/zinc/07/29/97/493072997.db2.gz DSTTYSVQOCBDGU-MRXNPFEDSA-N 2 2 374.489 0.358 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000653117885 493074090 /nfs/dbraw/zinc/07/40/90/493074090.db2.gz YLBMQWYWVWGRAR-LJQANCHMSA-N 3 2 361.534 0.542 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000653117885 493074095 /nfs/dbraw/zinc/07/40/95/493074095.db2.gz YLBMQWYWVWGRAR-LJQANCHMSA-N 3 2 361.534 0.542 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123299 493075083 /nfs/dbraw/zinc/07/50/83/493075083.db2.gz UMJJMBMCVLDEBB-YJBOKZPZSA-N 3 2 364.490 0.673 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)cc(OC)c1 ZINC000653123299 493075086 /nfs/dbraw/zinc/07/50/86/493075086.db2.gz UMJJMBMCVLDEBB-YJBOKZPZSA-N 3 2 364.490 0.673 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653124878 493076618 /nfs/dbraw/zinc/07/66/18/493076618.db2.gz KARVMINUJISNOV-LJQANCHMSA-N 3 2 361.534 0.719 20 0 FCADLP CCOc1ccc(OC[C@@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049904 493079844 /nfs/dbraw/zinc/07/98/44/493079844.db2.gz TWXBJNUOEPMFKU-INIZCTEOSA-N 2 2 365.474 0.531 20 0 FCADLP CCOc1ccc(OC[C@@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640049904 493079846 /nfs/dbraw/zinc/07/98/46/493079846.db2.gz TWXBJNUOEPMFKU-INIZCTEOSA-N 2 2 365.474 0.531 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)cn21 ZINC000627011228 493079959 /nfs/dbraw/zinc/07/99/59/493079959.db2.gz ZBPMCUBGZSWAGY-HNNXBMFYSA-N 2 2 354.418 0.768 20 0 FCADLP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)CC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000640059633 493081445 /nfs/dbraw/zinc/08/14/45/493081445.db2.gz UIXROPDFSBCQQD-KRWDZBQOSA-N 2 2 373.501 0.720 20 0 FCADLP Cc1cc2ncn(C[C@@H](O)C[N@H+](C)CC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000640059633 493081446 /nfs/dbraw/zinc/08/14/46/493081446.db2.gz UIXROPDFSBCQQD-KRWDZBQOSA-N 2 2 373.501 0.720 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000640060017 493082260 /nfs/dbraw/zinc/08/22/60/493082260.db2.gz WPDJLVHAGDGTQX-HNNXBMFYSA-N 2 2 360.458 0.613 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000640060017 493082262 /nfs/dbraw/zinc/08/22/62/493082262.db2.gz WPDJLVHAGDGTQX-HNNXBMFYSA-N 2 2 360.458 0.613 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCOCCOC)CC2)C1(C)C ZINC000653276185 493088215 /nfs/dbraw/zinc/08/82/15/493088215.db2.gz XKUCHZSVLVQJAN-CRAIPNDOSA-N 2 2 357.495 0.326 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646802791 493099445 /nfs/dbraw/zinc/09/94/45/493099445.db2.gz HQZQKLLCDPCFRV-OAHLLOKOSA-N 2 2 371.445 0.054 20 0 FCADLP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646802791 493099451 /nfs/dbraw/zinc/09/94/51/493099451.db2.gz HQZQKLLCDPCFRV-OAHLLOKOSA-N 2 2 371.445 0.054 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000633035923 493108173 /nfs/dbraw/zinc/10/81/73/493108173.db2.gz HAXRQWYADKRXEA-FMKPAKJESA-N 2 2 360.458 0.966 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000633040434 493108977 /nfs/dbraw/zinc/10/89/77/493108977.db2.gz XMQBCTHSIDJFSU-DOTOQJQBSA-N 2 2 373.501 0.711 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000646835305 493109410 /nfs/dbraw/zinc/10/94/10/493109410.db2.gz ADDWSXAMAHMKIT-WFASDCNBSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000646835305 493109416 /nfs/dbraw/zinc/10/94/16/493109416.db2.gz ADDWSXAMAHMKIT-WFASDCNBSA-N 2 2 354.401 0.633 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224925 493109605 /nfs/dbraw/zinc/10/96/05/493109605.db2.gz QLTGHITXVLXQHQ-IRXDYDNUSA-N 2 2 363.462 0.042 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCO1 ZINC000627224925 493109611 /nfs/dbraw/zinc/10/96/11/493109611.db2.gz QLTGHITXVLXQHQ-IRXDYDNUSA-N 2 2 363.462 0.042 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000627226283 493110756 /nfs/dbraw/zinc/11/07/56/493110756.db2.gz QGOFTSXWOOWXBS-KRWDZBQOSA-N 2 2 370.461 0.235 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000646845770 493111083 /nfs/dbraw/zinc/11/10/83/493111083.db2.gz MDJGDXWKBKMMLZ-RLFYNMQTSA-N 2 2 364.465 0.911 20 0 FCADLP CC1(C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1[NH+]1CCOCC1 ZINC000640521073 493111648 /nfs/dbraw/zinc/11/16/48/493111648.db2.gz SRRBIZQPTKENAU-GJZGRUSLSA-N 2 2 356.430 0.891 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCc1cn([C@@H]3CC[NH2+]C3)nn1)C2 ZINC000627229370 493111837 /nfs/dbraw/zinc/11/18/37/493111837.db2.gz RCQYBAXWDOYJKK-CQSZACIVSA-N 2 2 372.477 0.937 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)NCc1ccc[nH+]c1N1CCCC1 ZINC000627233930 493114095 /nfs/dbraw/zinc/11/40/95/493114095.db2.gz FTVRILDLVWVORR-MRXNPFEDSA-N 2 2 370.461 0.807 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)c1 ZINC000633088214 493119823 /nfs/dbraw/zinc/11/98/23/493119823.db2.gz FHAKFVKQASSOIW-PVAVHDDUSA-N 2 2 372.469 0.473 20 0 FCADLP CN(C)c1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000640604227 493120152 /nfs/dbraw/zinc/12/01/52/493120152.db2.gz LQZGBYIFJTYFFW-OAHLLOKOSA-N 2 2 360.462 0.918 20 0 FCADLP CN(C)c1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000640604227 493120155 /nfs/dbraw/zinc/12/01/55/493120155.db2.gz LQZGBYIFJTYFFW-OAHLLOKOSA-N 2 2 360.462 0.918 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000653398759 493120623 /nfs/dbraw/zinc/12/06/23/493120623.db2.gz QUFWWTBDGCXBJT-YQQAZPJKSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000653398759 493120627 /nfs/dbraw/zinc/12/06/27/493120627.db2.gz QUFWWTBDGCXBJT-YQQAZPJKSA-N 2 2 366.506 0.297 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257554 493121016 /nfs/dbraw/zinc/12/10/16/493121016.db2.gz JFXGOJIXJOQYBO-RBUKOAKNSA-N 2 2 359.470 0.800 20 0 FCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627257554 493121018 /nfs/dbraw/zinc/12/10/18/493121018.db2.gz JFXGOJIXJOQYBO-RBUKOAKNSA-N 2 2 359.470 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000633090871 493121405 /nfs/dbraw/zinc/12/14/05/493121405.db2.gz XLVVGVMFLMPXFA-SOLBZPMBSA-N 2 2 358.486 0.773 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000633090871 493121408 /nfs/dbraw/zinc/12/14/08/493121408.db2.gz XLVVGVMFLMPXFA-SOLBZPMBSA-N 2 2 358.486 0.773 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(C[NH+]3CCC(OC)CC3)nn2)CC1 ZINC000640829816 493133699 /nfs/dbraw/zinc/13/36/99/493133699.db2.gz GKUVCEHBUZUDKS-HNNXBMFYSA-N 2 2 364.494 0.614 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)Cn1cc(C[N@H+](C)CCO)nn1)c1ccccc1 ZINC000640836782 493134110 /nfs/dbraw/zinc/13/41/10/493134110.db2.gz KHZIAOGKARSBSU-KRWDZBQOSA-N 2 2 360.462 0.121 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)Cn1cc(C[N@@H+](C)CCO)nn1)c1ccccc1 ZINC000640836782 493134114 /nfs/dbraw/zinc/13/41/14/493134114.db2.gz KHZIAOGKARSBSU-KRWDZBQOSA-N 2 2 360.462 0.121 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc([C@H]([NH3+])c3ccc(Cl)cc3F)nn2)CC1 ZINC000640837426 493134689 /nfs/dbraw/zinc/13/46/89/493134689.db2.gz RUHQDPSWDSRNGN-MRXNPFEDSA-N 2 2 366.828 0.893 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633147596 493136655 /nfs/dbraw/zinc/13/66/55/493136655.db2.gz SUVXAEWTYCXEEZ-GUTXKFCHSA-N 2 2 350.488 0.901 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000646978094 493139122 /nfs/dbraw/zinc/13/91/22/493139122.db2.gz QGEMJJKSBYEWLW-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000646978094 493139125 /nfs/dbraw/zinc/13/91/25/493139125.db2.gz QGEMJJKSBYEWLW-SJORKVTESA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H](C)CO1 ZINC000659094441 493149455 /nfs/dbraw/zinc/14/94/55/493149455.db2.gz MDJVYGMQMAORAN-KBPBESRZSA-N 2 2 364.446 0.188 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)[C@@H](C)CO1 ZINC000659094441 493149461 /nfs/dbraw/zinc/14/94/61/493149461.db2.gz MDJVYGMQMAORAN-KBPBESRZSA-N 2 2 364.446 0.188 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627319457 493149734 /nfs/dbraw/zinc/14/97/34/493149734.db2.gz UIJIFOMFHHKFLC-BZUAXINKSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000627324551 493153769 /nfs/dbraw/zinc/15/37/69/493153769.db2.gz FGYMGRJHRBZVOT-MRXNPFEDSA-N 2 2 359.474 0.754 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)[nH+]c12 ZINC000627326966 493155384 /nfs/dbraw/zinc/15/53/84/493155384.db2.gz IDPBEMWHLDMWFS-INIZCTEOSA-N 2 2 357.458 0.758 20 0 FCADLP O=C(Cn1cc(C[NH+]2CCCC2)nn1)N1CC[NH+](Cc2ccco2)CC1 ZINC000641030835 493162790 /nfs/dbraw/zinc/16/27/90/493162790.db2.gz LUYCUYSRDUVIPJ-UHFFFAOYSA-N 2 2 358.446 0.811 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641026151 493162828 /nfs/dbraw/zinc/16/28/28/493162828.db2.gz LQRQCQDABFFVIA-HZPDHXFCSA-N 2 2 351.495 0.467 20 0 FCADLP C[NH2+]Cc1cn([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000641030340 493162886 /nfs/dbraw/zinc/16/28/86/493162886.db2.gz RPZUFJNIKBPLEF-OAHLLOKOSA-N 2 2 372.473 0.707 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)c[nH+]2)CCO1 ZINC000659432712 493176457 /nfs/dbraw/zinc/17/64/57/493176457.db2.gz KUGQHWDDWAMIGU-NWANDNLSSA-N 2 2 351.426 0.887 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681519422 493181500 /nfs/dbraw/zinc/18/15/00/493181500.db2.gz OJNDLQHGAIFFDX-XBVQOTNRSA-N 2 2 354.495 0.647 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H]1OC ZINC000681519422 493181507 /nfs/dbraw/zinc/18/15/07/493181507.db2.gz OJNDLQHGAIFFDX-XBVQOTNRSA-N 2 2 354.495 0.647 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681603989 493195180 /nfs/dbraw/zinc/19/51/80/493195180.db2.gz HRINQEZSMHGAEV-HZPDHXFCSA-N 2 2 355.446 0.657 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000681603989 493195185 /nfs/dbraw/zinc/19/51/85/493195185.db2.gz HRINQEZSMHGAEV-HZPDHXFCSA-N 2 2 355.446 0.657 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344561 493195540 /nfs/dbraw/zinc/19/55/40/493195540.db2.gz GHTZIKJGKSHCHK-GDBMZVCRSA-N 2 2 368.547 0.577 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000659344561 493195542 /nfs/dbraw/zinc/19/55/42/493195542.db2.gz GHTZIKJGKSHCHK-GDBMZVCRSA-N 2 2 368.547 0.577 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000681604888 493196452 /nfs/dbraw/zinc/19/64/52/493196452.db2.gz LUFXUUNTXVMSIT-MRXNPFEDSA-N 2 2 360.487 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000681604888 493196459 /nfs/dbraw/zinc/19/64/59/493196459.db2.gz LUFXUUNTXVMSIT-MRXNPFEDSA-N 2 2 360.487 0.931 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1C ZINC000672593310 493211763 /nfs/dbraw/zinc/21/17/63/493211763.db2.gz KOXLIDFLCFSZTN-CABCVRRESA-N 2 2 364.515 0.991 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000672593310 493211766 /nfs/dbraw/zinc/21/17/66/493211766.db2.gz KOXLIDFLCFSZTN-CABCVRRESA-N 2 2 364.515 0.991 20 0 FCADLP COc1ccc(N2C[C@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000659563905 493213651 /nfs/dbraw/zinc/21/36/51/493213651.db2.gz CMTHOOMTHIBDQC-HIFRSBDPSA-N 2 2 361.446 0.085 20 0 FCADLP COc1ccc(N2C[C@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000659563905 493213654 /nfs/dbraw/zinc/21/36/54/493213654.db2.gz CMTHOOMTHIBDQC-HIFRSBDPSA-N 2 2 361.446 0.085 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639134 493221974 /nfs/dbraw/zinc/22/19/74/493221974.db2.gz ZSQWXGFQDUFSMN-GOEBONIOSA-N 2 2 374.489 0.188 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000672639134 493221977 /nfs/dbraw/zinc/22/19/77/493221977.db2.gz ZSQWXGFQDUFSMN-GOEBONIOSA-N 2 2 374.489 0.188 20 0 FCADLP CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638345 493222307 /nfs/dbraw/zinc/22/23/07/493222307.db2.gz OZJZKGLCNHQQOA-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672638345 493222308 /nfs/dbraw/zinc/22/23/08/493222308.db2.gz OZJZKGLCNHQQOA-CVEARBPZSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](CCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638118 493222704 /nfs/dbraw/zinc/22/27/04/493222704.db2.gz LCFHQTTXKBBNDU-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H](CCC1CC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638118 493222707 /nfs/dbraw/zinc/22/27/07/493222707.db2.gz LCFHQTTXKBBNDU-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000672639421 493222855 /nfs/dbraw/zinc/22/28/55/493222855.db2.gz CFFCWYZYRGPUEF-BHYGNILZSA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000672639421 493222858 /nfs/dbraw/zinc/22/28/58/493222858.db2.gz CFFCWYZYRGPUEF-BHYGNILZSA-N 2 2 366.506 0.345 20 0 FCADLP Cc1occc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638522 493222902 /nfs/dbraw/zinc/22/29/02/493222902.db2.gz SKNSFURUVZRFAT-MRXNPFEDSA-N 2 2 362.474 0.831 20 0 FCADLP Cc1occc1CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638522 493222903 /nfs/dbraw/zinc/22/29/03/493222903.db2.gz SKNSFURUVZRFAT-MRXNPFEDSA-N 2 2 362.474 0.831 20 0 FCADLP C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638741 493222924 /nfs/dbraw/zinc/22/29/24/493222924.db2.gz IEGXILHCLPWZFE-DOTOQJQBSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](c1cccnc1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638741 493222927 /nfs/dbraw/zinc/22/29/27/493222927.db2.gz IEGXILHCLPWZFE-DOTOQJQBSA-N 2 2 373.501 0.886 20 0 FCADLP CCOCCN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640064 493223935 /nfs/dbraw/zinc/22/39/35/493223935.db2.gz HPTWTZVFPBPIDN-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCOCCN(CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640064 493223938 /nfs/dbraw/zinc/22/39/38/493223938.db2.gz HPTWTZVFPBPIDN-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(F)cn3)C2)CC1 ZINC000672640922 493224483 /nfs/dbraw/zinc/22/44/83/493224483.db2.gz MCOREYBFMVRNTI-HNNXBMFYSA-N 2 2 363.437 0.122 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(F)cn3)C2)CC1 ZINC000672640922 493224486 /nfs/dbraw/zinc/22/44/86/493224486.db2.gz MCOREYBFMVRNTI-HNNXBMFYSA-N 2 2 363.437 0.122 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642352 493226174 /nfs/dbraw/zinc/22/61/74/493226174.db2.gz HMGJITPATHDUIH-CABCVRRESA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000672642352 493226175 /nfs/dbraw/zinc/22/61/75/493226175.db2.gz HMGJITPATHDUIH-CABCVRRESA-N 2 2 366.506 0.345 20 0 FCADLP CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641492 493227070 /nfs/dbraw/zinc/22/70/70/493227070.db2.gz QLIJRCPVJGYYCS-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641492 493227071 /nfs/dbraw/zinc/22/70/71/493227071.db2.gz QLIJRCPVJGYYCS-INMHGKMJSA-N 2 2 350.507 0.966 20 0 FCADLP CCC(O)(CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642966 493227787 /nfs/dbraw/zinc/22/77/87/493227787.db2.gz YRWFCHOLMYRLGB-HNNXBMFYSA-N 2 2 368.522 0.329 20 0 FCADLP CCC(O)(CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642966 493227792 /nfs/dbraw/zinc/22/77/92/493227792.db2.gz YRWFCHOLMYRLGB-HNNXBMFYSA-N 2 2 368.522 0.329 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000672693505 493233775 /nfs/dbraw/zinc/23/37/75/493233775.db2.gz DKJZKLJKMMRGIO-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000672693505 493233778 /nfs/dbraw/zinc/23/37/78/493233778.db2.gz DKJZKLJKMMRGIO-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000667044401 493254237 /nfs/dbraw/zinc/25/42/37/493254237.db2.gz FYODKWFOYYWZMY-CKEIUWERSA-N 2 2 350.488 0.848 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000681948498 493256525 /nfs/dbraw/zinc/25/65/25/493256525.db2.gz BBACHSJVRUEHPU-MRXNPFEDSA-N 2 2 369.554 0.499 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000681948498 493256529 /nfs/dbraw/zinc/25/65/29/493256529.db2.gz BBACHSJVRUEHPU-MRXNPFEDSA-N 2 2 369.554 0.499 20 0 FCADLP CN(CC1(O)CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681968620 493257841 /nfs/dbraw/zinc/25/78/41/493257841.db2.gz XIXXSVONGBUULX-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP CN(CC1(O)CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681968620 493257843 /nfs/dbraw/zinc/25/78/43/493257843.db2.gz XIXXSVONGBUULX-OAHLLOKOSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000667142301 493261374 /nfs/dbraw/zinc/26/13/74/493261374.db2.gz BEKUMNTVNUKNOT-KDOFPFPSSA-N 2 2 372.469 0.592 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000667197841 493265921 /nfs/dbraw/zinc/26/59/21/493265921.db2.gz BOGFCEHJDULNFS-QGZVFWFLSA-N 2 2 363.462 0.916 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000667197841 493265923 /nfs/dbraw/zinc/26/59/23/493265923.db2.gz BOGFCEHJDULNFS-QGZVFWFLSA-N 2 2 363.462 0.916 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc2[nH+]ccn2c1 ZINC000641666870 493274057 /nfs/dbraw/zinc/27/40/57/493274057.db2.gz MGUCZWYCCYKXAQ-KRWDZBQOSA-N 2 2 357.458 0.861 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccc2[nH+]ccn2c1 ZINC000641666870 493274058 /nfs/dbraw/zinc/27/40/58/493274058.db2.gz MGUCZWYCCYKXAQ-KRWDZBQOSA-N 2 2 357.458 0.861 20 0 FCADLP O=C(NCC1CC[NH+](CC2CC2)CC1)N(CCO)CC[NH+]1CCOCC1 ZINC000667336867 493277232 /nfs/dbraw/zinc/27/72/32/493277232.db2.gz RQBPDMXKSAYACE-UHFFFAOYSA-N 2 2 368.522 0.445 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCO1 ZINC000667404238 493283527 /nfs/dbraw/zinc/28/35/27/493283527.db2.gz HQAHVOINJRRIDH-SWLSCSKDSA-N 2 2 357.414 0.600 20 0 FCADLP Cc1cnc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682271216 493284298 /nfs/dbraw/zinc/28/42/98/493284298.db2.gz YOTHKTNEASLZRG-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1cnc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682271216 493284301 /nfs/dbraw/zinc/28/43/01/493284301.db2.gz YOTHKTNEASLZRG-GFCCVEGCSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270935 493285073 /nfs/dbraw/zinc/28/50/73/493285073.db2.gz PRKDLMGNHYAGPL-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP Cc1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682270935 493285075 /nfs/dbraw/zinc/28/50/75/493285075.db2.gz PRKDLMGNHYAGPL-LBPRGKRZSA-N 2 2 351.476 0.675 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659839016 493294189 /nfs/dbraw/zinc/29/41/89/493294189.db2.gz TYAPZLYWUUXCNP-INIZCTEOSA-N 2 2 352.523 0.977 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCC[NH+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000659838011 493294721 /nfs/dbraw/zinc/29/47/21/493294721.db2.gz MONPZFJWYIYSLN-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCC[NH+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000659838011 493294722 /nfs/dbraw/zinc/29/47/22/493294722.db2.gz MONPZFJWYIYSLN-HDICACEKSA-N 2 2 352.523 0.726 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)Nc3cnccn3)CC2)CC1 ZINC000659911017 493301872 /nfs/dbraw/zinc/30/18/72/493301872.db2.gz BCLOKHFTULQXMO-UHFFFAOYSA-N 2 2 374.489 0.681 20 0 FCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000673219502 493304182 /nfs/dbraw/zinc/30/41/82/493304182.db2.gz KRHUFIHPSGNKPL-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000673219502 493304185 /nfs/dbraw/zinc/30/41/85/493304185.db2.gz KRHUFIHPSGNKPL-CVEARBPZSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000673223649 493304612 /nfs/dbraw/zinc/30/46/12/493304612.db2.gz DSTWJGLAJGRQKJ-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673301935 493315102 /nfs/dbraw/zinc/31/51/02/493315102.db2.gz IPEZMAVFIRUOIM-INIZCTEOSA-N 2 2 371.485 0.863 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337275 493318769 /nfs/dbraw/zinc/31/87/69/493318769.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673337275 493318770 /nfs/dbraw/zinc/31/87/70/493318770.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673337275 493318771 /nfs/dbraw/zinc/31/87/71/493318771.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673337275 493318772 /nfs/dbraw/zinc/31/87/72/493318772.db2.gz FPDFDRJXYCEKKO-MRXNPFEDSA-N 3 2 367.538 0.119 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccnc(OCCO)c2)CC1 ZINC000668123799 493319206 /nfs/dbraw/zinc/31/92/06/493319206.db2.gz BNQLBIRQJFGMCZ-UHFFFAOYSA-N 2 2 351.451 0.600 20 0 FCADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660691004 493373224 /nfs/dbraw/zinc/37/32/24/493373224.db2.gz QPMMHQCHEWJLQV-WMZOPIPTSA-N 2 2 366.506 0.603 20 0 FCADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000660707714 493374579 /nfs/dbraw/zinc/37/45/79/493374579.db2.gz RIGGJZXPFURNMS-YQQAZPJKSA-N 2 2 354.495 0.648 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660712404 493375647 /nfs/dbraw/zinc/37/56/47/493375647.db2.gz JTWOXLPUIISKBC-FUHWJXTLSA-N 3 2 365.522 0.271 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660712404 493375651 /nfs/dbraw/zinc/37/56/51/493375651.db2.gz JTWOXLPUIISKBC-FUHWJXTLSA-N 3 2 365.522 0.271 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000683947740 493381282 /nfs/dbraw/zinc/38/12/82/493381282.db2.gz ODDDURXLEGLKDK-QZTJIDSGSA-N 2 2 367.515 0.968 20 0 FCADLP CCn1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000683983679 493383871 /nfs/dbraw/zinc/38/38/71/493383871.db2.gz OUOHVJLDQPHSMF-MRXNPFEDSA-N 2 2 361.490 0.836 20 0 FCADLP CCn1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000683983679 493383875 /nfs/dbraw/zinc/38/38/75/493383875.db2.gz OUOHVJLDQPHSMF-MRXNPFEDSA-N 2 2 361.490 0.836 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(=O)N(C)C ZINC000684005254 493386347 /nfs/dbraw/zinc/38/63/47/493386347.db2.gz OKVDEPDMTANHTL-AWEZNQCLSA-N 2 2 361.490 0.992 20 0 FCADLP O=C(C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)N1CCNC(=O)C1 ZINC000660852030 493386492 /nfs/dbraw/zinc/38/64/92/493386492.db2.gz CZSCFGKWGQNWAH-UHFFFAOYSA-N 2 2 355.442 0.776 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000668639682 493388332 /nfs/dbraw/zinc/38/83/32/493388332.db2.gz KUFVQIJUFAAVJT-DZJNRPSUSA-N 2 2 362.518 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000668639682 493388335 /nfs/dbraw/zinc/38/83/35/493388335.db2.gz KUFVQIJUFAAVJT-DZJNRPSUSA-N 2 2 362.518 0.966 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000668643570 493389493 /nfs/dbraw/zinc/38/94/93/493389493.db2.gz KEOFPACDOHCAGQ-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000668643570 493389496 /nfs/dbraw/zinc/38/94/96/493389496.db2.gz KEOFPACDOHCAGQ-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000668643570 493389499 /nfs/dbraw/zinc/38/94/99/493389499.db2.gz KEOFPACDOHCAGQ-OAHLLOKOSA-N 2 2 364.515 0.823 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000668688608 493397364 /nfs/dbraw/zinc/39/73/64/493397364.db2.gz CZVANDFHDFTLQZ-OAHLLOKOSA-N 2 2 370.457 0.688 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000668688508 493397670 /nfs/dbraw/zinc/39/76/70/493397670.db2.gz OTDJHFAFDOLOJH-OAQYLSRUSA-N 2 2 372.513 0.929 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000668688508 493397672 /nfs/dbraw/zinc/39/76/72/493397672.db2.gz OTDJHFAFDOLOJH-OAQYLSRUSA-N 2 2 372.513 0.929 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cnc2c1ncnc2N ZINC000668688379 493397738 /nfs/dbraw/zinc/39/77/38/493397738.db2.gz NRGMQBRIJNLUEQ-UHFFFAOYSA-N 2 2 374.493 0.283 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cnc2c1ncnc2N ZINC000668688379 493397740 /nfs/dbraw/zinc/39/77/40/493397740.db2.gz NRGMQBRIJNLUEQ-UHFFFAOYSA-N 2 2 374.493 0.283 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000668729865 493402684 /nfs/dbraw/zinc/40/26/84/493402684.db2.gz GJYXBDCJCDJJMS-UHFFFAOYSA-N 2 2 356.430 0.619 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668730667 493403134 /nfs/dbraw/zinc/40/31/34/493403134.db2.gz RJEPPZOMDJOLMH-KRWDZBQOSA-N 2 2 355.442 0.698 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000668730667 493403136 /nfs/dbraw/zinc/40/31/36/493403136.db2.gz RJEPPZOMDJOLMH-KRWDZBQOSA-N 2 2 355.442 0.698 20 0 FCADLP C[N@@H+]1CCCN(CCCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000684441694 493413131 /nfs/dbraw/zinc/41/31/31/493413131.db2.gz MLYHDBKKJODYNV-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP C[N@H+]1CCCN(CCCNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000684441694 493413133 /nfs/dbraw/zinc/41/31/33/493413133.db2.gz MLYHDBKKJODYNV-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+]1CCCN(CCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000684441694 493413135 /nfs/dbraw/zinc/41/31/35/493413135.db2.gz MLYHDBKKJODYNV-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+]1CCCN(CCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000684441694 493413137 /nfs/dbraw/zinc/41/31/37/493413137.db2.gz MLYHDBKKJODYNV-SFHVURJKSA-N 2 2 352.523 0.774 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668830253 493417707 /nfs/dbraw/zinc/41/77/07/493417707.db2.gz XZLWFGRGRACWOV-ZNMIVQPWSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000668830253 493417708 /nfs/dbraw/zinc/41/77/08/493417708.db2.gz XZLWFGRGRACWOV-ZNMIVQPWSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000674678972 493438217 /nfs/dbraw/zinc/43/82/17/493438217.db2.gz MCAIHTVXGCIEEK-UHFFFAOYSA-N 2 2 374.485 0.349 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000668958128 493444053 /nfs/dbraw/zinc/44/40/53/493444053.db2.gz RPJWMOMCEVAZOS-MRXNPFEDSA-N 2 2 357.458 0.902 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000668958128 493444056 /nfs/dbraw/zinc/44/40/56/493444056.db2.gz RPJWMOMCEVAZOS-MRXNPFEDSA-N 2 2 357.458 0.902 20 0 FCADLP C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000661773137 493465129 /nfs/dbraw/zinc/46/51/29/493465129.db2.gz FKEIQSGRYJFYHK-VQIMIIECSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000661773137 493465131 /nfs/dbraw/zinc/46/51/31/493465131.db2.gz FKEIQSGRYJFYHK-VQIMIIECSA-N 2 2 361.486 0.980 20 0 FCADLP CN1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1=O ZINC000661810162 493467209 /nfs/dbraw/zinc/46/72/09/493467209.db2.gz PNGBFYZTLBTFAC-UHFFFAOYSA-N 2 2 366.506 0.302 20 0 FCADLP CN1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1=O ZINC000661810162 493467212 /nfs/dbraw/zinc/46/72/12/493467212.db2.gz PNGBFYZTLBTFAC-UHFFFAOYSA-N 2 2 366.506 0.302 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1C1CC1 ZINC000685276968 493472129 /nfs/dbraw/zinc/47/21/29/493472129.db2.gz KEUIIKBARBDOMZ-JKIFEVAISA-N 2 2 358.442 0.803 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1C1CC1 ZINC000685276968 493472131 /nfs/dbraw/zinc/47/21/31/493472131.db2.gz KEUIIKBARBDOMZ-JKIFEVAISA-N 2 2 358.442 0.803 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000675194265 493472702 /nfs/dbraw/zinc/47/27/02/493472702.db2.gz LRACOGZFIGHYBW-HZPDHXFCSA-N 2 2 365.522 0.855 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000669189901 493474825 /nfs/dbraw/zinc/47/48/25/493474825.db2.gz XOEOOMOGIRUXEK-WMZOPIPTSA-N 2 2 372.469 0.222 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000669189901 493474827 /nfs/dbraw/zinc/47/48/27/493474827.db2.gz XOEOOMOGIRUXEK-WMZOPIPTSA-N 2 2 372.469 0.222 20 0 FCADLP COCCC1(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000685331292 493476298 /nfs/dbraw/zinc/47/62/98/493476298.db2.gz JJPQBAKZTUOEIO-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP COCCC1(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000685331292 493476299 /nfs/dbraw/zinc/47/62/99/493476299.db2.gz JJPQBAKZTUOEIO-UHFFFAOYSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955484 493479691 /nfs/dbraw/zinc/47/96/91/493479691.db2.gz IHVNKCKHIBCKNS-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)C1 ZINC000661955484 493479694 /nfs/dbraw/zinc/47/96/94/493479694.db2.gz IHVNKCKHIBCKNS-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP COc1ccc(CN(C)C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1OC ZINC000662286717 493502417 /nfs/dbraw/zinc/50/24/17/493502417.db2.gz ZHDWYLYRIOZUEN-UHFFFAOYSA-N 2 2 351.447 0.366 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000669430989 493503606 /nfs/dbraw/zinc/50/36/06/493503606.db2.gz NRFNHEKHYPYHNG-HZPDHXFCSA-N 2 2 374.489 0.560 20 0 FCADLP CCN(C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000662291493 493504060 /nfs/dbraw/zinc/50/40/60/493504060.db2.gz UVBIQAOQIJKVDT-SJORKVTESA-N 2 2 371.547 0.734 20 0 FCADLP C[NH+]1CCC(CNC(=O)NC[C@H]2C[NH2+]CCCO2)([NH+]2CCCCC2)CC1 ZINC000669502254 493508380 /nfs/dbraw/zinc/50/83/80/493508380.db2.gz WGPOKXLVIGSAAU-QGZVFWFLSA-N 3 2 367.538 0.614 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)C[C@H]2CC2(C)C)CC1 ZINC000662345933 493508638 /nfs/dbraw/zinc/50/86/38/493508638.db2.gz OMKRZHRCNCXMCT-CQSZACIVSA-N 2 2 371.489 0.990 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC000662345933 493508640 /nfs/dbraw/zinc/50/86/40/493508640.db2.gz OMKRZHRCNCXMCT-CQSZACIVSA-N 2 2 371.489 0.990 20 0 FCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662363604 493509994 /nfs/dbraw/zinc/50/99/94/493509994.db2.gz DIFXCRUZFZMCDO-CQSZACIVSA-N 2 2 356.430 0.648 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542761 493510009 /nfs/dbraw/zinc/51/00/09/493510009.db2.gz DZZXIAWNJGXIHB-HZPDHXFCSA-N 2 2 374.489 0.689 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685786089 493515077 /nfs/dbraw/zinc/51/50/77/493515077.db2.gz XHDWEMPVUCMTEF-ZBFHGGJFSA-N 2 2 360.506 0.547 20 0 FCADLP CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685786089 493515079 /nfs/dbraw/zinc/51/50/79/493515079.db2.gz XHDWEMPVUCMTEF-ZBFHGGJFSA-N 2 2 360.506 0.547 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000662445378 493516001 /nfs/dbraw/zinc/51/60/01/493516001.db2.gz OHOACRHLJNKEDF-CQSZACIVSA-N 2 2 358.446 0.764 20 0 FCADLP CN1CC[NH+](C[C@@H]2CN(C(=O)c3cc4c(s3)CC[NH2+]C4)CCO2)CC1 ZINC000662447573 493516247 /nfs/dbraw/zinc/51/62/47/493516247.db2.gz ABFLUHLDUFMRCX-OAHLLOKOSA-N 2 2 364.515 0.482 20 0 FCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662457104 493517140 /nfs/dbraw/zinc/51/71/40/493517140.db2.gz CCSMMEXCFHJOGH-CABCVRRESA-N 2 2 362.478 0.396 20 0 FCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662457104 493517142 /nfs/dbraw/zinc/51/71/42/493517142.db2.gz CCSMMEXCFHJOGH-CABCVRRESA-N 2 2 362.478 0.396 20 0 FCADLP CC[C@@H]1CN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C)C[C@@H]1[NH+]1CCOCC1 ZINC000662481599 493519792 /nfs/dbraw/zinc/51/97/92/493519792.db2.gz KUEYSSYRMLCLMC-OAGGEKHMSA-N 2 2 362.478 0.304 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662698884 493532748 /nfs/dbraw/zinc/53/27/48/493532748.db2.gz NNHLLDVDBUAITH-MSOLQXFVSA-N 2 2 363.458 0.378 20 0 FCADLP O=C(c1cn(C2CC[NH2+]CC2)nn1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703231 493533319 /nfs/dbraw/zinc/53/33/19/493533319.db2.gz HHQZPVDBNLKWQP-UHFFFAOYSA-N 2 2 362.478 0.387 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662728104 493535234 /nfs/dbraw/zinc/53/52/34/493535234.db2.gz GPIPLNIOGUBOTK-AWEZNQCLSA-N 2 2 361.368 0.696 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676288964 493541769 /nfs/dbraw/zinc/54/17/69/493541769.db2.gz BZMQEDZGMPMPNP-WDSOQIARSA-N 2 2 360.502 0.810 20 0 FCADLP C[C@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676288964 493541770 /nfs/dbraw/zinc/54/17/70/493541770.db2.gz BZMQEDZGMPMPNP-WDSOQIARSA-N 2 2 360.502 0.810 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833693 493545231 /nfs/dbraw/zinc/54/52/31/493545231.db2.gz PTDCUVXTSXSMFC-LVQVYYBASA-N 2 2 364.494 0.820 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833693 493545232 /nfs/dbraw/zinc/54/52/32/493545232.db2.gz PTDCUVXTSXSMFC-LVQVYYBASA-N 2 2 364.494 0.820 20 0 FCADLP C[C@@](O)(CNc1nc(NCCO)c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000676351692 493547227 /nfs/dbraw/zinc/54/72/27/493547227.db2.gz PYTNVNAHNZPUKN-GOSISDBHSA-N 2 2 361.446 0.529 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+]([C@H]3CCOC3)CC1)n2C ZINC000676388055 493548460 /nfs/dbraw/zinc/54/84/60/493548460.db2.gz ISYINIMCQVKXKX-ZDUSSCGKSA-N 2 2 358.446 0.581 20 0 FCADLP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901691 493550559 /nfs/dbraw/zinc/55/05/59/493550559.db2.gz YIHNCLWPEOVFBL-CQSZACIVSA-N 3 2 351.520 0.885 20 0 FCADLP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901691 493550560 /nfs/dbraw/zinc/55/05/60/493550560.db2.gz YIHNCLWPEOVFBL-CQSZACIVSA-N 3 2 351.520 0.885 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662943965 493558138 /nfs/dbraw/zinc/55/81/38/493558138.db2.gz GGWGKEZSRXDMCQ-IAGOWNOFSA-N 2 2 373.501 0.974 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662985154 493564481 /nfs/dbraw/zinc/56/44/81/493564481.db2.gz RVZPWCSKGLRHDQ-RYRKJORJSA-N 2 2 373.501 0.873 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423131 493564833 /nfs/dbraw/zinc/56/48/33/493564833.db2.gz OOCIAKMTGLUAJT-GDBMZVCRSA-N 2 2 359.474 0.544 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670423131 493564834 /nfs/dbraw/zinc/56/48/34/493564834.db2.gz OOCIAKMTGLUAJT-GDBMZVCRSA-N 2 2 359.474 0.544 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000663181424 493576265 /nfs/dbraw/zinc/57/62/65/493576265.db2.gz MYYVMZJBQZHCIE-LSDHHAIUSA-N 2 2 357.414 0.330 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000670537409 493577969 /nfs/dbraw/zinc/57/79/69/493577969.db2.gz BZJDYUKNRDBJJQ-INIZCTEOSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000670545082 493579374 /nfs/dbraw/zinc/57/93/74/493579374.db2.gz OGZNTBXJJHVIGB-QGZVFWFLSA-N 2 2 366.506 0.299 20 0 FCADLP CC[N@@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000677203172 493589722 /nfs/dbraw/zinc/58/97/22/493589722.db2.gz YNPHOSQDPXPAHL-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP CC[N@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000677203172 493589724 /nfs/dbraw/zinc/58/97/24/493589724.db2.gz YNPHOSQDPXPAHL-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)CO1 ZINC000663551521 493596621 /nfs/dbraw/zinc/59/66/21/493596621.db2.gz FCDHZUNHEWQHGI-NCOADZHNSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)CO1 ZINC000663551521 493596622 /nfs/dbraw/zinc/59/66/22/493596622.db2.gz FCDHZUNHEWQHGI-NCOADZHNSA-N 2 2 356.511 0.894 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000663561929 493598626 /nfs/dbraw/zinc/59/86/26/493598626.db2.gz WELVRJGULYYMSR-KZNAEPCWSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000663561929 493598627 /nfs/dbraw/zinc/59/86/27/493598627.db2.gz WELVRJGULYYMSR-KZNAEPCWSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)N1CC[NH+](C)CC1 ZINC000663561929 493598630 /nfs/dbraw/zinc/59/86/30/493598630.db2.gz WELVRJGULYYMSR-KZNAEPCWSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)N1CC[NH+](C)CC1 ZINC000663561929 493598631 /nfs/dbraw/zinc/59/86/31/493598631.db2.gz WELVRJGULYYMSR-KZNAEPCWSA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(C)CC1 ZINC000663560314 493598679 /nfs/dbraw/zinc/59/86/79/493598679.db2.gz KZQTYOQEFXREFB-ZWKOTPCHSA-N 2 2 367.538 0.375 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663560314 493598682 /nfs/dbraw/zinc/59/86/82/493598682.db2.gz KZQTYOQEFXREFB-ZWKOTPCHSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c[nH+]2)CCO1 ZINC000663590691 493602438 /nfs/dbraw/zinc/60/24/38/493602438.db2.gz HNGXGNUOAIJXLS-KBMXLJTQSA-N 2 2 363.462 0.123 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000663614517 493604418 /nfs/dbraw/zinc/60/44/18/493604418.db2.gz WYSBNDDMBOWILD-KUHUBIRLSA-N 2 2 360.458 0.887 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000670984689 493619892 /nfs/dbraw/zinc/61/98/92/493619892.db2.gz UOPQZJJOWLRQPX-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000670984689 493619895 /nfs/dbraw/zinc/61/98/95/493619895.db2.gz UOPQZJJOWLRQPX-MRXNPFEDSA-N 2 2 358.486 0.967 20 0 FCADLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677865483 493620064 /nfs/dbraw/zinc/62/00/64/493620064.db2.gz OHPGLBPBPDCBCG-KRWDZBQOSA-N 2 2 370.457 0.728 20 0 FCADLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677865483 493620066 /nfs/dbraw/zinc/62/00/66/493620066.db2.gz OHPGLBPBPDCBCG-KRWDZBQOSA-N 2 2 370.457 0.728 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986934 493620935 /nfs/dbraw/zinc/62/09/35/493620935.db2.gz ZROLOGWCHWZVNY-SJLPKXTDSA-N 2 2 366.506 0.252 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670986934 493620936 /nfs/dbraw/zinc/62/09/36/493620936.db2.gz ZROLOGWCHWZVNY-SJLPKXTDSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670997056 493622159 /nfs/dbraw/zinc/62/21/59/493622159.db2.gz UNPSVTDOOPHJDT-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000677902104 493623196 /nfs/dbraw/zinc/62/31/96/493623196.db2.gz VXAJJRABMVYSRM-BRSBDYLESA-N 2 2 367.538 0.373 20 0 FCADLP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000677902104 493623198 /nfs/dbraw/zinc/62/31/98/493623198.db2.gz VXAJJRABMVYSRM-BRSBDYLESA-N 2 2 367.538 0.373 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663938052 493626981 /nfs/dbraw/zinc/62/69/81/493626981.db2.gz WLGLODDFZKEWCG-CVEARBPZSA-N 2 2 356.511 0.896 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663938052 493626983 /nfs/dbraw/zinc/62/69/83/493626983.db2.gz WLGLODDFZKEWCG-CVEARBPZSA-N 2 2 356.511 0.896 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065181 493628606 /nfs/dbraw/zinc/62/86/06/493628606.db2.gz DWSJPSFKRWYBLT-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000671065181 493628607 /nfs/dbraw/zinc/62/86/07/493628607.db2.gz DWSJPSFKRWYBLT-INIZCTEOSA-N 2 2 359.474 0.291 20 0 FCADLP C[NH+]1CCN(c2ncc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)CC1 ZINC000678123952 493635780 /nfs/dbraw/zinc/63/57/80/493635780.db2.gz BVXAHUHBSMESLH-SFHVURJKSA-N 2 2 360.506 0.525 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107286 493636118 /nfs/dbraw/zinc/63/61/18/493636118.db2.gz CCFCHGYFFXFHRZ-BFYDXBDKSA-N 2 2 358.442 0.804 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000671107286 493636119 /nfs/dbraw/zinc/63/61/19/493636119.db2.gz CCFCHGYFFXFHRZ-BFYDXBDKSA-N 2 2 358.442 0.804 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000671116797 493637967 /nfs/dbraw/zinc/63/79/67/493637967.db2.gz PSKJYCXLXBXJSL-RDJZCZTQSA-N 2 2 371.485 0.719 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000671116797 493637969 /nfs/dbraw/zinc/63/79/69/493637969.db2.gz PSKJYCXLXBXJSL-RDJZCZTQSA-N 2 2 371.485 0.719 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1c(F)cccc1F ZINC000664135110 493638921 /nfs/dbraw/zinc/63/89/21/493638921.db2.gz YXWINMYRYPINPM-KKUMJFAQSA-N 2 2 356.417 0.884 20 0 FCADLP C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC[NH+](C)CC1 ZINC000671126821 493639904 /nfs/dbraw/zinc/63/99/04/493639904.db2.gz XIMUAAXEJNYRCM-AWEZNQCLSA-N 2 2 361.490 0.725 20 0 FCADLP CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000664149239 493640513 /nfs/dbraw/zinc/64/05/13/493640513.db2.gz SVASXRAJKDQZRK-BRWVUGGUSA-N 2 2 366.506 0.650 20 0 FCADLP CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000664149239 493640516 /nfs/dbraw/zinc/64/05/16/493640516.db2.gz SVASXRAJKDQZRK-BRWVUGGUSA-N 2 2 366.506 0.650 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000671134695 493641836 /nfs/dbraw/zinc/64/18/36/493641836.db2.gz OFBYXKCSIIZLCN-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000671134695 493641838 /nfs/dbraw/zinc/64/18/38/493641838.db2.gz OFBYXKCSIIZLCN-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000671134695 493641841 /nfs/dbraw/zinc/64/18/41/493641841.db2.gz OFBYXKCSIIZLCN-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000671134695 493641842 /nfs/dbraw/zinc/64/18/42/493641842.db2.gz OFBYXKCSIIZLCN-QGZVFWFLSA-N 2 2 362.474 0.374 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000664175538 493641874 /nfs/dbraw/zinc/64/18/74/493641874.db2.gz QCVPINLFAJFZEQ-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000664175538 493641876 /nfs/dbraw/zinc/64/18/76/493641876.db2.gz QCVPINLFAJFZEQ-SJORKVTESA-N 2 2 355.527 0.422 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000664183670 493643016 /nfs/dbraw/zinc/64/30/16/493643016.db2.gz SGURTIFLKXSIIA-QGZVFWFLSA-N 2 2 354.495 0.461 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000664183670 493643018 /nfs/dbraw/zinc/64/30/18/493643018.db2.gz SGURTIFLKXSIIA-QGZVFWFLSA-N 2 2 354.495 0.461 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000671170796 493645346 /nfs/dbraw/zinc/64/53/46/493645346.db2.gz FESXBVAKAFBGEH-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000671172607 493645907 /nfs/dbraw/zinc/64/59/07/493645907.db2.gz XJHUJATZSDHUOK-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000671240265 493650372 /nfs/dbraw/zinc/65/03/72/493650372.db2.gz OREYTJORKIBMSZ-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000671240265 493650374 /nfs/dbraw/zinc/65/03/74/493650374.db2.gz OREYTJORKIBMSZ-HXUWFJFHSA-N 2 2 374.529 0.983 20 0 FCADLP Cc1nccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671361339 493659655 /nfs/dbraw/zinc/65/96/55/493659655.db2.gz AVPOUXASAOEIMU-KRWDZBQOSA-N 2 2 374.489 0.028 20 0 FCADLP Cc1nccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000671361339 493659658 /nfs/dbraw/zinc/65/96/58/493659658.db2.gz AVPOUXASAOEIMU-KRWDZBQOSA-N 2 2 374.489 0.028 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671365619 493660835 /nfs/dbraw/zinc/66/08/35/493660835.db2.gz KHYLDLWMBYVSGY-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000678990510 493667214 /nfs/dbraw/zinc/66/72/14/493667214.db2.gz MHYZMWRONUDUEI-PXNSSMCTSA-N 2 2 360.502 0.812 20 0 FCADLP Cc1occc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671409439 493668032 /nfs/dbraw/zinc/66/80/32/493668032.db2.gz KFSSNPNTASEOIT-QGZVFWFLSA-N 2 2 362.474 0.831 20 0 FCADLP Cc1occc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671409439 493668034 /nfs/dbraw/zinc/66/80/34/493668034.db2.gz KFSSNPNTASEOIT-QGZVFWFLSA-N 2 2 362.474 0.831 20 0 FCADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679635956 493690124 /nfs/dbraw/zinc/69/01/24/493690124.db2.gz JGAYRYPIRNAZGH-AWEZNQCLSA-N 2 2 358.446 0.675 20 0 FCADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679635956 493690126 /nfs/dbraw/zinc/69/01/26/493690126.db2.gz JGAYRYPIRNAZGH-AWEZNQCLSA-N 2 2 358.446 0.675 20 0 FCADLP NC(=O)C[NH+](CC1(C[N@@H+](CC(N)=O)C2CCCC2)COC1)C1CCCC1 ZINC000679850161 493697312 /nfs/dbraw/zinc/69/73/12/493697312.db2.gz AIJQDHIIHQQNFW-UHFFFAOYSA-N 2 2 366.506 0.463 20 0 FCADLP NC(=O)C[NH+](CC1(C[N@H+](CC(N)=O)C2CCCC2)COC1)C1CCCC1 ZINC000679850161 493697313 /nfs/dbraw/zinc/69/73/13/493697313.db2.gz AIJQDHIIHQQNFW-UHFFFAOYSA-N 2 2 366.506 0.463 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680011860 493705278 /nfs/dbraw/zinc/70/52/78/493705278.db2.gz GVCLDGHRCZKHFQ-FUHWJXTLSA-N 3 2 352.523 0.582 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680011860 493705280 /nfs/dbraw/zinc/70/52/80/493705280.db2.gz GVCLDGHRCZKHFQ-FUHWJXTLSA-N 3 2 352.523 0.582 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CCSCC3)C2)CC1 ZINC000671913418 493714121 /nfs/dbraw/zinc/71/41/21/493714121.db2.gz ZDFJMOLVZSNNFF-HNNXBMFYSA-N 2 2 368.547 0.531 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3CCSCC3)C2)CC1 ZINC000671913418 493714123 /nfs/dbraw/zinc/71/41/23/493714123.db2.gz ZDFJMOLVZSNNFF-HNNXBMFYSA-N 2 2 368.547 0.531 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680507983 493720649 /nfs/dbraw/zinc/72/06/49/493720649.db2.gz DUVRYLQFPPJMLG-QGZVFWFLSA-N 3 2 369.554 0.813 20 0 FCADLP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680507983 493720651 /nfs/dbraw/zinc/72/06/51/493720651.db2.gz DUVRYLQFPPJMLG-QGZVFWFLSA-N 3 2 369.554 0.813 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672010012 493724211 /nfs/dbraw/zinc/72/42/11/493724211.db2.gz AGRSAJGRNKJPHT-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672013951 493724817 /nfs/dbraw/zinc/72/48/17/493724817.db2.gz IGTCZOOEBVZORM-HIFRSBDPSA-N 2 2 362.478 0.071 20 0 FCADLP CN(C)C(=O)NCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680834448 493730986 /nfs/dbraw/zinc/73/09/86/493730986.db2.gz JTBWJGHTINPIRC-CQSZACIVSA-N 2 2 354.499 0.068 20 0 FCADLP CN(C)C(=O)NCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680834448 493730988 /nfs/dbraw/zinc/73/09/88/493730988.db2.gz JTBWJGHTINPIRC-CQSZACIVSA-N 2 2 354.499 0.068 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672098329 493735449 /nfs/dbraw/zinc/73/54/49/493735449.db2.gz VONQYCCMZNKLNR-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672098329 493735452 /nfs/dbraw/zinc/73/54/52/493735452.db2.gz VONQYCCMZNKLNR-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)Nc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(NCCO)[nH+]1 ZINC000672142505 493737642 /nfs/dbraw/zinc/73/76/42/493737642.db2.gz KEBGIYYZQPTVMV-CQSZACIVSA-N 2 2 365.482 0.397 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672203899 493742227 /nfs/dbraw/zinc/74/22/27/493742227.db2.gz ZQXQKQFXWFTMBG-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672203899 493742228 /nfs/dbraw/zinc/74/22/28/493742228.db2.gz ZQXQKQFXWFTMBG-SJORKVTESA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)OC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161228 493747906 /nfs/dbraw/zinc/74/79/06/493747906.db2.gz QNZUPGMMTRVPHW-WMZOPIPTSA-N 2 2 368.522 0.990 20 0 FCADLP CC(C)OC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000681161228 493747908 /nfs/dbraw/zinc/74/79/08/493747908.db2.gz QNZUPGMMTRVPHW-WMZOPIPTSA-N 2 2 368.522 0.990 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214925 493751552 /nfs/dbraw/zinc/75/15/52/493751552.db2.gz DWQLQIDHLUDWAN-SJLPKXTDSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214925 493751553 /nfs/dbraw/zinc/75/15/53/493751553.db2.gz DWQLQIDHLUDWAN-SJLPKXTDSA-N 2 2 368.522 0.849 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218315 493752042 /nfs/dbraw/zinc/75/20/42/493752042.db2.gz KTGMBLPJMZIOGU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCOC[C@H]1CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218315 493752045 /nfs/dbraw/zinc/75/20/45/493752045.db2.gz KTGMBLPJMZIOGU-QZTJIDSGSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592834 534001095 /nfs/dbraw/zinc/00/10/95/534001095.db2.gz ZYWBPHJJBCPIEL-HOCLYGCPSA-N 2 2 359.474 0.873 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592834 534001098 /nfs/dbraw/zinc/00/10/98/534001098.db2.gz ZYWBPHJJBCPIEL-HOCLYGCPSA-N 2 2 359.474 0.873 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H]1CO ZINC000190362928 534024002 /nfs/dbraw/zinc/02/40/02/534024002.db2.gz UGKHGHNOPPBGOV-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@@H]1CO ZINC000190362928 534024006 /nfs/dbraw/zinc/02/40/06/534024006.db2.gz UGKHGHNOPPBGOV-VQIMIIECSA-N 2 2 373.497 0.968 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)c2cc1C ZINC000409448921 534137455 /nfs/dbraw/zinc/13/74/55/534137455.db2.gz RHLYTPFFCKOCRH-ZIAGYGMSSA-N 2 2 352.460 0.377 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](S(N)(=O)=O)C3)c2cc1C ZINC000409448921 534137460 /nfs/dbraw/zinc/13/74/60/534137460.db2.gz RHLYTPFFCKOCRH-ZIAGYGMSSA-N 2 2 352.460 0.377 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000410603970 527820344 /nfs/dbraw/zinc/82/03/44/527820344.db2.gz DFWPAWOSEWIBCA-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000410603970 527820348 /nfs/dbraw/zinc/82/03/48/527820348.db2.gz DFWPAWOSEWIBCA-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000411019704 527957703 /nfs/dbraw/zinc/95/77/03/527957703.db2.gz FSKLSFLALIVIFR-QGZVFWFLSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000411019704 527957707 /nfs/dbraw/zinc/95/77/07/527957707.db2.gz FSKLSFLALIVIFR-QGZVFWFLSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410909320 528064109 /nfs/dbraw/zinc/06/41/09/528064109.db2.gz LEJBULXCUNBLCP-UHFFFAOYSA-N 2 2 370.538 0.746 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410909320 528064112 /nfs/dbraw/zinc/06/41/12/528064112.db2.gz LEJBULXCUNBLCP-UHFFFAOYSA-N 2 2 370.538 0.746 20 0 FCADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000410775126 528101102 /nfs/dbraw/zinc/10/11/02/528101102.db2.gz KCRWICTYXPRTGF-MRXNPFEDSA-N 2 2 356.511 0.092 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000410814815 528433845 /nfs/dbraw/zinc/43/38/45/528433845.db2.gz ZMBFCMPKFNZKST-OAHLLOKOSA-N 2 2 364.494 0.415 20 0 FCADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000410798262 528446308 /nfs/dbraw/zinc/44/63/08/528446308.db2.gz AROOFBWICNVZJO-QGZVFWFLSA-N 2 2 366.506 0.254 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410918306 529110317 /nfs/dbraw/zinc/11/03/17/529110317.db2.gz YTFACSSTPGBCPG-HNNXBMFYSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410918306 529110321 /nfs/dbraw/zinc/11/03/21/529110321.db2.gz YTFACSSTPGBCPG-HNNXBMFYSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410469003 529116133 /nfs/dbraw/zinc/11/61/33/529116133.db2.gz CGPPHZAMHMUPMX-HUUCEWRRSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410469003 529116137 /nfs/dbraw/zinc/11/61/37/529116137.db2.gz CGPPHZAMHMUPMX-HUUCEWRRSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413308442 529146523 /nfs/dbraw/zinc/14/65/23/529146523.db2.gz CZHHXNJOXAEOGH-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413308442 529146525 /nfs/dbraw/zinc/14/65/25/529146525.db2.gz CZHHXNJOXAEOGH-KRWDZBQOSA-N 2 2 369.554 0.670 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC(=O)c3ccccc3)C2)CC1 ZINC000155664097 529152829 /nfs/dbraw/zinc/15/28/29/529152829.db2.gz OXKMKZHQFXYXSW-SFHVURJKSA-N 2 2 358.486 0.697 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC(=O)c3ccccc3)C2)CC1 ZINC000155664097 529152830 /nfs/dbraw/zinc/15/28/30/529152830.db2.gz OXKMKZHQFXYXSW-SFHVURJKSA-N 2 2 358.486 0.697 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@@H+]1CCOC ZINC000410474675 529263251 /nfs/dbraw/zinc/26/32/51/529263251.db2.gz LJOWEEGCJXNDQC-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)CC[N@H+]1CCOC ZINC000410474675 529263253 /nfs/dbraw/zinc/26/32/53/529263253.db2.gz LJOWEEGCJXNDQC-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000410474675 529263257 /nfs/dbraw/zinc/26/32/57/529263257.db2.gz LJOWEEGCJXNDQC-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC[NH+]1CCOC ZINC000410474675 529263258 /nfs/dbraw/zinc/26/32/58/529263258.db2.gz LJOWEEGCJXNDQC-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@@H+]1CCOC ZINC000410527788 529263618 /nfs/dbraw/zinc/26/36/18/529263618.db2.gz KQUJZSKDNQVLCS-IRXDYDNUSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)CC[N@H+]1CCOC ZINC000410527788 529263619 /nfs/dbraw/zinc/26/36/19/529263619.db2.gz KQUJZSKDNQVLCS-IRXDYDNUSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527788 529263621 /nfs/dbraw/zinc/26/36/21/529263621.db2.gz KQUJZSKDNQVLCS-IRXDYDNUSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC[NH+]1CCOC ZINC000410527788 529263623 /nfs/dbraw/zinc/26/36/23/529263623.db2.gz KQUJZSKDNQVLCS-IRXDYDNUSA-N 2 2 368.522 0.354 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410630339 529350271 /nfs/dbraw/zinc/35/02/71/529350271.db2.gz GYCKWXAIMMOPAL-ZACQAIPSSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410630339 529350274 /nfs/dbraw/zinc/35/02/74/529350274.db2.gz GYCKWXAIMMOPAL-ZACQAIPSSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000410873438 529351233 /nfs/dbraw/zinc/35/12/33/529351233.db2.gz WTOIZKNSQIDADD-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000410873442 529351562 /nfs/dbraw/zinc/35/15/62/529351562.db2.gz WTOIZKNSQIDADD-SJORKVTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000410479075 529352174 /nfs/dbraw/zinc/35/21/74/529352174.db2.gz RDAVSZHKXJXQHS-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000410479075 529352176 /nfs/dbraw/zinc/35/21/76/529352176.db2.gz RDAVSZHKXJXQHS-BBWFWOEESA-N 2 2 366.506 0.108 20 0 FCADLP CCC[NH2+]CCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418472636 535163944 /nfs/dbraw/zinc/16/39/44/535163944.db2.gz MKLQXIPEIIVBIA-MRXNPFEDSA-N 2 2 353.511 0.714 20 0 FCADLP CC(C)([NH3+])CNC(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000419154222 535200787 /nfs/dbraw/zinc/20/07/87/535200787.db2.gz PXWAHXPNHMLBII-UHFFFAOYSA-N 2 2 357.458 0.986 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000423570963 535603929 /nfs/dbraw/zinc/60/39/29/535603929.db2.gz UDAGTOBRFDPNMM-KXBFYZLASA-N 2 2 374.489 0.217 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000423733382 535604250 /nfs/dbraw/zinc/60/42/50/535604250.db2.gz NJNBWLJRHCVSIA-KKUMJFAQSA-N 2 2 362.478 0.201 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)c[nH+]1 ZINC000419196964 535685639 /nfs/dbraw/zinc/68/56/39/535685639.db2.gz ANNDMXKIBZRMEI-HNNXBMFYSA-N 2 2 363.462 0.120 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC(=O)c3cccs3)C2)CC1 ZINC000436368931 535735079 /nfs/dbraw/zinc/73/50/79/535735079.db2.gz KOJKOCUCSKAJQY-OAHLLOKOSA-N 2 2 364.515 0.759 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC(=O)c3cccs3)C2)CC1 ZINC000436368931 535735081 /nfs/dbraw/zinc/73/50/81/535735081.db2.gz KOJKOCUCSKAJQY-OAHLLOKOSA-N 2 2 364.515 0.759 20 0 FCADLP CN(C(=O)CN1CN=NC1=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444234766 536013424 /nfs/dbraw/zinc/01/34/24/536013424.db2.gz FGEYWVCVNUOJSE-JKSUJKDBSA-N 2 2 364.494 0.779 20 0 FCADLP CN(C(=O)CN1CN=NC1=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444234766 536013428 /nfs/dbraw/zinc/01/34/28/536013428.db2.gz FGEYWVCVNUOJSE-JKSUJKDBSA-N 2 2 364.494 0.779 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1c(F)cccc1F ZINC000417664598 536133695 /nfs/dbraw/zinc/13/36/95/536133695.db2.gz WZFYOBYBNQUJNK-OAHLLOKOSA-N 2 2 355.433 0.772 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)c[nH+]1 ZINC000419385386 536147478 /nfs/dbraw/zinc/14/74/78/536147478.db2.gz CCONKNCUDGCKNK-UHFFFAOYSA-N 2 2 355.442 0.751 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000423475489 536367740 /nfs/dbraw/zinc/36/77/40/536367740.db2.gz KMFJMDNUAXLEHI-UKRRQHHQSA-N 2 2 350.488 0.774 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000423900565 536453678 /nfs/dbraw/zinc/45/36/78/536453678.db2.gz ROTSWYPSGIVBHE-GJZGRUSLSA-N 2 2 363.462 0.517 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000423900565 536453680 /nfs/dbraw/zinc/45/36/80/536453680.db2.gz ROTSWYPSGIVBHE-GJZGRUSLSA-N 2 2 363.462 0.517 20 0 FCADLP CO[C@H](CC(C)C)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000419178584 536538117 /nfs/dbraw/zinc/53/81/17/536538117.db2.gz CAQVNWMSDCGDHU-MRXNPFEDSA-N 2 2 362.540 0.157 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715144 546928339 /nfs/dbraw/zinc/92/83/39/546928339.db2.gz JRKIOKAHHZHFHL-ZACQAIPSSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715144 546928342 /nfs/dbraw/zinc/92/83/42/546928342.db2.gz JRKIOKAHHZHFHL-ZACQAIPSSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715144 546928345 /nfs/dbraw/zinc/92/83/45/546928345.db2.gz JRKIOKAHHZHFHL-ZACQAIPSSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCO1 ZINC000458715144 546928349 /nfs/dbraw/zinc/92/83/49/546928349.db2.gz JRKIOKAHHZHFHL-ZACQAIPSSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[S@@](=O)C2)([NH+]2CCCCC2)CC1 ZINC000475114680 546937499 /nfs/dbraw/zinc/93/74/99/546937499.db2.gz WWZBKXHTCJXRME-IZHWHUGBSA-N 2 2 356.536 0.757 20 0 FCADLP COC1([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000641788336 546957081 /nfs/dbraw/zinc/95/70/81/546957081.db2.gz YJRXTFSKRGNKLA-QZTJIDSGSA-N 2 2 355.523 0.957 20 0 FCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000549991661 547076250 /nfs/dbraw/zinc/07/62/50/547076250.db2.gz RMPFNTXYPXLHFS-KBPBESRZSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000550656589 547094698 /nfs/dbraw/zinc/09/46/98/547094698.db2.gz HGKLWXIDOWYMRH-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000550656589 547094702 /nfs/dbraw/zinc/09/47/02/547094702.db2.gz HGKLWXIDOWYMRH-PMPSAXMXSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000551070062 547123248 /nfs/dbraw/zinc/12/32/48/547123248.db2.gz RMOINUNQCSPZRP-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000551070062 547123255 /nfs/dbraw/zinc/12/32/55/547123255.db2.gz RMOINUNQCSPZRP-OAHLLOKOSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+]1CCC(CNC(=O)C(=O)NCC2CCC2)([NH+]2CCCCC2)CC1 ZINC000551171912 547131985 /nfs/dbraw/zinc/13/19/85/547131985.db2.gz YWTVLJJTQVKGMY-UHFFFAOYSA-N 2 2 350.507 0.969 20 0 FCADLP CCC(CC)[C@@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000552309678 547199819 /nfs/dbraw/zinc/19/98/19/547199819.db2.gz RNLGWPVLCJMIBV-HOCLYGCPSA-N 2 2 356.511 0.306 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000552340652 547201381 /nfs/dbraw/zinc/20/13/81/547201381.db2.gz BISCWOHEQPWYGV-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000552970468 547244469 /nfs/dbraw/zinc/24/44/69/547244469.db2.gz GHKSAROSVZHRPW-UHFFFAOYSA-N 2 2 368.503 0.087 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000552970468 547244473 /nfs/dbraw/zinc/24/44/73/547244473.db2.gz GHKSAROSVZHRPW-UHFFFAOYSA-N 2 2 368.503 0.087 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553092447 547253517 /nfs/dbraw/zinc/25/35/17/547253517.db2.gz FZXBSMJQXXBZDB-WBVHZDCISA-N 2 2 354.564 0.956 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000553278791 547265814 /nfs/dbraw/zinc/26/58/14/547265814.db2.gz DTNMWQGKSAVWBZ-CAOSSQGBSA-N 2 2 354.495 0.153 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000553278791 547265821 /nfs/dbraw/zinc/26/58/21/547265821.db2.gz DTNMWQGKSAVWBZ-CAOSSQGBSA-N 2 2 354.495 0.153 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553620208 547294152 /nfs/dbraw/zinc/29/41/52/547294152.db2.gz IEDFAFXERINOOV-CABCVRRESA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000553619650 547295064 /nfs/dbraw/zinc/29/50/64/547295064.db2.gz ZBAPBCJRJPMGMX-HOTGVXAUSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000163237661 547392429 /nfs/dbraw/zinc/39/24/29/547392429.db2.gz VLFCCGXSKXQBNR-ZDUSSCGKSA-N 2 2 354.476 0.483 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736748034 598275096 /nfs/dbraw/zinc/27/50/96/598275096.db2.gz VHXAIFOEUHKEAT-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736748034 598275098 /nfs/dbraw/zinc/27/50/98/598275098.db2.gz VHXAIFOEUHKEAT-INIZCTEOSA-N 2 2 357.462 0.899 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000247056523 674519264 /nfs/dbraw/zinc/51/92/64/674519264.db2.gz SFYYSVWTRQUZHH-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000247056523 674519268 /nfs/dbraw/zinc/51/92/68/674519268.db2.gz SFYYSVWTRQUZHH-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000247056523 674519274 /nfs/dbraw/zinc/51/92/74/674519274.db2.gz SFYYSVWTRQUZHH-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000247056523 674519278 /nfs/dbraw/zinc/51/92/78/674519278.db2.gz SFYYSVWTRQUZHH-HOTGVXAUSA-N 2 2 354.495 0.949 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000822698795 606066940 /nfs/dbraw/zinc/06/69/40/606066940.db2.gz FURRQUREQJDQJW-UHFFFAOYSA-N 2 2 354.418 0.801 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821575453 606218349 /nfs/dbraw/zinc/21/83/49/606218349.db2.gz CCPZUTDEQIYRLC-UHFFFAOYSA-N 2 2 363.491 0.961 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001020603824 663199323 /nfs/dbraw/zinc/19/93/23/663199323.db2.gz OKEDVWJBKZRXBT-BTFPBAQTSA-N 2 2 366.487 0.195 20 0 FCADLP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000891519198 663411500 /nfs/dbraw/zinc/41/15/00/663411500.db2.gz YFGCBYXVUUYJMN-JYJNAYRXSA-N 2 2 354.495 0.554 20 0 FCADLP C[C@H](CNC(=O)N1CCc2sc(C[NH3+])nc2C1)C[NH+]1CCOCC1 ZINC000891584135 663416668 /nfs/dbraw/zinc/41/66/68/663416668.db2.gz QVEQKMCAEUJJKG-GFCCVEGCSA-N 2 2 353.492 0.638 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001022275039 663428949 /nfs/dbraw/zinc/42/89/49/663428949.db2.gz HDHGCWYDCPTUOB-XHJNMGKDSA-N 2 2 350.467 0.384 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001022275039 663428950 /nfs/dbraw/zinc/42/89/50/663428950.db2.gz HDHGCWYDCPTUOB-XHJNMGKDSA-N 2 2 350.467 0.384 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023451534 663628661 /nfs/dbraw/zinc/62/86/61/663628661.db2.gz PEFDMBHUYWTURD-IVMMDQJWSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023451534 663628665 /nfs/dbraw/zinc/62/86/65/663628665.db2.gz PEFDMBHUYWTURD-IVMMDQJWSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451534 663628667 /nfs/dbraw/zinc/62/86/67/663628667.db2.gz PEFDMBHUYWTURD-IVMMDQJWSA-N 2 2 351.451 0.425 20 0 FCADLP Cc1nonc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023451534 663628671 /nfs/dbraw/zinc/62/86/71/663628671.db2.gz PEFDMBHUYWTURD-IVMMDQJWSA-N 2 2 351.451 0.425 20 0 FCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935942762 664108506 /nfs/dbraw/zinc/10/85/06/664108506.db2.gz WQXLQKUUVQQYNU-XDNAFOTISA-N 2 2 351.491 0.951 20 0 FCADLP CC(C)(O)C[NH+]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892880465 664152347 /nfs/dbraw/zinc/15/23/47/664152347.db2.gz GQKABWQKFFHFJA-UHFFFAOYSA-N 2 2 353.492 0.468 20 0 FCADLP C[C@]1(Br)C[C@H]1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000893355452 664249288 /nfs/dbraw/zinc/24/92/88/664249288.db2.gz ZILRXJLOMGXWSE-YDHLFZDLSA-N 2 2 360.296 0.683 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nccs4)C[C@H]32)O1 ZINC000978354018 664435363 /nfs/dbraw/zinc/43/53/63/664435363.db2.gz MGJSHVVOFVIRMQ-ARILJUKYSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nccs4)C[C@H]32)O1 ZINC000978354018 664435366 /nfs/dbraw/zinc/43/53/66/664435366.db2.gz MGJSHVVOFVIRMQ-ARILJUKYSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nccs4)C[C@H]32)O1 ZINC000978354018 664435369 /nfs/dbraw/zinc/43/53/69/664435369.db2.gz MGJSHVVOFVIRMQ-ARILJUKYSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nccs4)C[C@H]32)O1 ZINC000978354018 664435373 /nfs/dbraw/zinc/43/53/73/664435373.db2.gz MGJSHVVOFVIRMQ-ARILJUKYSA-N 2 2 350.488 0.656 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)N3CCCCC3)CC2)CC[N@@H+]1C ZINC000981193529 664817338 /nfs/dbraw/zinc/81/73/38/664817338.db2.gz BYNNHRKZSNLRHU-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(=O)N3CCCCC3)CC2)CC[N@H+]1C ZINC000981193529 664817340 /nfs/dbraw/zinc/81/73/40/664817340.db2.gz BYNNHRKZSNLRHU-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCCC3)CC2)CC[NH+]1C ZINC000981193529 664817341 /nfs/dbraw/zinc/81/73/41/664817341.db2.gz BYNNHRKZSNLRHU-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCCC3)CC2)CC[NH+]1C ZINC000981193529 664817342 /nfs/dbraw/zinc/81/73/42/664817342.db2.gz BYNNHRKZSNLRHU-IAGOWNOFSA-N 2 2 350.507 0.873 20 0 FCADLP COC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000726587717 664921561 /nfs/dbraw/zinc/92/15/61/664921561.db2.gz BALNPUDINHUIMV-CYBMUJFWSA-N 2 2 352.435 0.378 20 0 FCADLP COC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000726587717 664921562 /nfs/dbraw/zinc/92/15/62/664921562.db2.gz BALNPUDINHUIMV-CYBMUJFWSA-N 2 2 352.435 0.378 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cs1 ZINC001038397747 664927961 /nfs/dbraw/zinc/92/79/61/664927961.db2.gz CENZBXAAFUHWMC-DAXOMENPSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[NH+]2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cs1 ZINC001038397747 664927965 /nfs/dbraw/zinc/92/79/65/664927965.db2.gz CENZBXAAFUHWMC-DAXOMENPSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@H+]2CC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC001038397747 664927966 /nfs/dbraw/zinc/92/79/66/664927966.db2.gz CENZBXAAFUHWMC-DAXOMENPSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1nc(CC[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cs1 ZINC001038397747 664927967 /nfs/dbraw/zinc/92/79/67/664927967.db2.gz CENZBXAAFUHWMC-DAXOMENPSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1ncsc1CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038401217 664941947 /nfs/dbraw/zinc/94/19/47/664941947.db2.gz SUEVBIDGZNJRFS-BPLDGKMQSA-N 2 2 352.504 0.904 20 0 FCADLP Cc1cnc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)s1 ZINC000960524011 674677864 /nfs/dbraw/zinc/67/78/64/674677864.db2.gz HRDAYQGFBPBBKX-WPEGABGTSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1cnc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)s1 ZINC000960524011 674677867 /nfs/dbraw/zinc/67/78/67/674677867.db2.gz HRDAYQGFBPBBKX-WPEGABGTSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)s1 ZINC000960524011 674677870 /nfs/dbraw/zinc/67/78/70/674677870.db2.gz HRDAYQGFBPBBKX-WPEGABGTSA-N 2 2 350.488 0.717 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)s1 ZINC000960524011 674677874 /nfs/dbraw/zinc/67/78/74/674677874.db2.gz HRDAYQGFBPBBKX-WPEGABGTSA-N 2 2 350.488 0.717 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237305067 665168693 /nfs/dbraw/zinc/16/86/93/665168693.db2.gz CKKHBIZZOCTAAF-QGZVFWFLSA-N 2 2 365.499 0.499 20 0 FCADLP Cc1conc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001029766754 665171481 /nfs/dbraw/zinc/17/14/81/665171481.db2.gz FZTWFPPGYQMSFU-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1conc1C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001029766754 665171483 /nfs/dbraw/zinc/17/14/83/665171483.db2.gz FZTWFPPGYQMSFU-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1conc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766754 665171484 /nfs/dbraw/zinc/17/14/84/665171484.db2.gz FZTWFPPGYQMSFU-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP Cc1conc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001029766754 665171485 /nfs/dbraw/zinc/17/14/85/665171485.db2.gz FZTWFPPGYQMSFU-BFYDXBDKSA-N 2 2 350.463 0.982 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000907602880 666146780 /nfs/dbraw/zinc/14/67/80/666146780.db2.gz FZEHJVGIWBZAFN-KRWDZBQOSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000907602880 666146781 /nfs/dbraw/zinc/14/67/81/666146781.db2.gz FZEHJVGIWBZAFN-KRWDZBQOSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000910862323 666284920 /nfs/dbraw/zinc/28/49/20/666284920.db2.gz FJMLLSKQQCYYID-QGZVFWFLSA-N 2 2 354.539 0.564 20 0 FCADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000910862323 666284924 /nfs/dbraw/zinc/28/49/24/666284924.db2.gz FJMLLSKQQCYYID-QGZVFWFLSA-N 2 2 354.539 0.564 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000911003140 666304705 /nfs/dbraw/zinc/30/47/05/666304705.db2.gz PUVKOKWQYSBCIE-ZDUSSCGKSA-N 2 2 350.488 0.420 20 0 FCADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000911003140 666304708 /nfs/dbraw/zinc/30/47/08/666304708.db2.gz PUVKOKWQYSBCIE-ZDUSSCGKSA-N 2 2 350.488 0.420 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911730412 666372535 /nfs/dbraw/zinc/37/25/35/666372535.db2.gz NVRKOBOZDOVUJT-ARFHVFGLSA-N 2 2 354.495 0.189 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911730412 666372539 /nfs/dbraw/zinc/37/25/39/666372539.db2.gz NVRKOBOZDOVUJT-ARFHVFGLSA-N 2 2 354.495 0.189 20 0 FCADLP CC(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031869121 666537920 /nfs/dbraw/zinc/53/79/20/666537920.db2.gz QRIZMSMVTSWKMW-MSOLQXFVSA-N 2 2 353.507 0.960 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000156347940 666538847 /nfs/dbraw/zinc/53/88/47/666538847.db2.gz PQAPCWOAAGHEQH-UHFFFAOYSA-N 2 2 367.515 0.987 20 0 FCADLP CC(C)(CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000913877104 666661197 /nfs/dbraw/zinc/66/11/97/666661197.db2.gz WLHQTZKMPOVQDZ-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC(C)(CNC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000913877104 666661199 /nfs/dbraw/zinc/66/11/99/666661199.db2.gz WLHQTZKMPOVQDZ-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031986797 666692629 /nfs/dbraw/zinc/69/26/29/666692629.db2.gz FEHXREGOJSCXOP-UMVBOHGHSA-N 2 2 354.401 0.996 20 0 FCADLP CN1CC[NH+](CCCCNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000915126041 666822600 /nfs/dbraw/zinc/82/26/00/666822600.db2.gz VGJIQHVORGPSSP-UHFFFAOYSA-N 2 2 357.568 0.200 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286921 666903594 /nfs/dbraw/zinc/90/35/94/666903594.db2.gz QTDWYZZCOHOVID-DGCLKSJQSA-N 2 2 352.401 0.767 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CCO)C(F)(F)F)C2)CC1 ZINC000888286921 666903595 /nfs/dbraw/zinc/90/35/95/666903595.db2.gz QTDWYZZCOHOVID-DGCLKSJQSA-N 2 2 352.401 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000993579473 666917999 /nfs/dbraw/zinc/91/79/99/666917999.db2.gz QDOYVGKMWXOJLF-IJLUTSLNSA-N 2 2 355.389 0.190 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000993579473 666918002 /nfs/dbraw/zinc/91/80/02/666918002.db2.gz QDOYVGKMWXOJLF-IJLUTSLNSA-N 2 2 355.389 0.190 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000734277527 666959078 /nfs/dbraw/zinc/95/90/78/666959078.db2.gz WUGJFSMVHVDHCW-AWEZNQCLSA-N 2 2 358.508 0.031 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000734277527 666959079 /nfs/dbraw/zinc/95/90/79/666959079.db2.gz WUGJFSMVHVDHCW-AWEZNQCLSA-N 2 2 358.508 0.031 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000917006394 667044215 /nfs/dbraw/zinc/04/42/15/667044215.db2.gz BUCSANAOTXMFLR-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[NH+]1CCOCC1 ZINC000917006394 667044219 /nfs/dbraw/zinc/04/42/19/667044219.db2.gz BUCSANAOTXMFLR-ZMSDIMECSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997637099 667167773 /nfs/dbraw/zinc/16/77/73/667167773.db2.gz VVWVSJZBWUWCKI-DVOMOZLQSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CC[NH+](Cc2cnns2)CC1 ZINC000997637099 667167775 /nfs/dbraw/zinc/16/77/75/667167775.db2.gz VVWVSJZBWUWCKI-DVOMOZLQSA-N 2 2 367.519 0.974 20 0 FCADLP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998987413 667225786 /nfs/dbraw/zinc/22/57/86/667225786.db2.gz NZHHDLLYYGIVAW-XSCHDIRWSA-N 2 2 350.467 0.096 20 0 FCADLP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998987413 667225791 /nfs/dbraw/zinc/22/57/91/667225791.db2.gz NZHHDLLYYGIVAW-XSCHDIRWSA-N 2 2 350.467 0.096 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031683832 667268130 /nfs/dbraw/zinc/26/81/30/667268130.db2.gz AGALRHKWXMVHAX-CWRNSKLLSA-N 2 2 357.520 0.199 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031683832 667268131 /nfs/dbraw/zinc/26/81/31/667268131.db2.gz AGALRHKWXMVHAX-CWRNSKLLSA-N 2 2 357.520 0.199 20 0 FCADLP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000921201451 667270917 /nfs/dbraw/zinc/27/09/17/667270917.db2.gz FCJWMABAGSZAJX-CPUCHLNUSA-N 2 2 354.495 0.186 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074098232 667772754 /nfs/dbraw/zinc/77/27/54/667772754.db2.gz LMYHLHUUSIDIHG-IXDOHACOSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074098232 667772757 /nfs/dbraw/zinc/77/27/57/667772757.db2.gz LMYHLHUUSIDIHG-IXDOHACOSA-N 2 2 352.479 0.356 20 0 FCADLP COc1nscc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001034974958 667772923 /nfs/dbraw/zinc/77/29/23/667772923.db2.gz MMFWTUMUBNFORN-BPLDGKMQSA-N 2 2 368.503 0.951 20 0 FCADLP COc1nscc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001034974958 667772928 /nfs/dbraw/zinc/77/29/28/667772928.db2.gz MMFWTUMUBNFORN-BPLDGKMQSA-N 2 2 368.503 0.951 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303858 667886312 /nfs/dbraw/zinc/88/63/12/667886312.db2.gz NTHGLKCVAZIINC-HOTGVXAUSA-N 2 2 350.463 0.502 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](C4CCOCC4)C3=O)C2)CC1 ZINC000761303858 667886315 /nfs/dbraw/zinc/88/63/15/667886315.db2.gz NTHGLKCVAZIINC-HOTGVXAUSA-N 2 2 350.463 0.502 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000838685945 667947523 /nfs/dbraw/zinc/94/75/23/667947523.db2.gz YZPWHKQXYHTVMQ-UONOGXRCSA-N 2 2 357.499 0.787 20 0 FCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000838685945 667947524 /nfs/dbraw/zinc/94/75/24/667947524.db2.gz YZPWHKQXYHTVMQ-UONOGXRCSA-N 2 2 357.499 0.787 20 0 FCADLP CN(C)S(=O)(=O)NCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000839090665 667976155 /nfs/dbraw/zinc/97/61/55/667976155.db2.gz KDEQFALCAVOKDI-UHFFFAOYSA-N 2 2 369.535 0.707 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)CC ZINC000743141720 668044373 /nfs/dbraw/zinc/04/43/73/668044373.db2.gz YNFWTSCAFJBQQL-HNNXBMFYSA-N 2 2 362.540 0.479 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)CC ZINC000743141720 668044374 /nfs/dbraw/zinc/04/43/74/668044374.db2.gz YNFWTSCAFJBQQL-HNNXBMFYSA-N 2 2 362.540 0.479 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000772051184 668287815 /nfs/dbraw/zinc/28/78/15/668287815.db2.gz ZGILQFGMEKWZGT-OAHLLOKOSA-N 2 2 357.520 0.956 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000772051184 668287822 /nfs/dbraw/zinc/28/78/22/668287822.db2.gz ZGILQFGMEKWZGT-OAHLLOKOSA-N 2 2 357.520 0.956 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000786765916 668775536 /nfs/dbraw/zinc/77/55/36/668775536.db2.gz NRNNPWGASDTYGU-OFQRWUPVSA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000786765916 668775538 /nfs/dbraw/zinc/77/55/38/668775538.db2.gz NRNNPWGASDTYGU-OFQRWUPVSA-N 2 2 352.479 0.748 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCSC(C)(C)C)C2)CC1 ZINC000788346681 668824472 /nfs/dbraw/zinc/82/44/72/668824472.db2.gz AVBJXIBTRYRSIR-AWEZNQCLSA-N 2 2 370.563 0.919 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCSC(C)(C)C)C2)CC1 ZINC000788346681 668824475 /nfs/dbraw/zinc/82/44/75/668824475.db2.gz AVBJXIBTRYRSIR-AWEZNQCLSA-N 2 2 370.563 0.919 20 0 FCADLP NC(=O)CC[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361970 668875260 /nfs/dbraw/zinc/87/52/60/668875260.db2.gz IANOWEGQBHOSCI-KSSFIOAISA-N 2 2 350.463 0.838 20 0 FCADLP NC(=O)CC[C@@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790361970 668875261 /nfs/dbraw/zinc/87/52/61/668875261.db2.gz IANOWEGQBHOSCI-KSSFIOAISA-N 2 2 350.463 0.838 20 0 FCADLP CC(C)(CNC(=O)C[NH2+]C(C)(C)C(=O)N1CCCC1)[NH+]1CCOCC1 ZINC000796578247 669111066 /nfs/dbraw/zinc/11/10/66/669111066.db2.gz ULEONHRAYYSAMY-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)CC1 ZINC000823114089 669320241 /nfs/dbraw/zinc/32/02/41/669320241.db2.gz ONUAOMAITMKWMW-AWEZNQCLSA-N 2 2 350.463 0.058 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)CC1 ZINC000823114089 669320244 /nfs/dbraw/zinc/32/02/44/669320244.db2.gz ONUAOMAITMKWMW-AWEZNQCLSA-N 2 2 350.463 0.058 20 0 FCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879468 669776921 /nfs/dbraw/zinc/77/69/21/669776921.db2.gz VOPHZLQHLLCADZ-AWEZNQCLSA-N 2 2 362.540 0.523 20 0 FCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000811879468 669776923 /nfs/dbraw/zinc/77/69/23/669776923.db2.gz VOPHZLQHLLCADZ-AWEZNQCLSA-N 2 2 362.540 0.523 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844169081 670903562 /nfs/dbraw/zinc/90/35/62/670903562.db2.gz NROZQMHGILJVPB-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844169081 670903564 /nfs/dbraw/zinc/90/35/64/670903564.db2.gz NROZQMHGILJVPB-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP C[C@]([NH3+])(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000844184234 670906589 /nfs/dbraw/zinc/90/65/89/670906589.db2.gz FSVUNASHSJHNRY-QGZVFWFLSA-N 2 2 353.488 0.486 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000845021551 670959681 /nfs/dbraw/zinc/95/96/81/670959681.db2.gz KQFWBKGJDIFTJY-IRXDYDNUSA-N 2 2 356.511 0.849 20 0 FCADLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCC1 ZINC000849110244 671318221 /nfs/dbraw/zinc/31/82/21/671318221.db2.gz CQAFCAXMDZIHSY-UHFFFAOYSA-N 2 2 366.491 0.200 20 0 FCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000109393921 671387265 /nfs/dbraw/zinc/38/72/65/671387265.db2.gz NORDELWZEMCJCV-HNNXBMFYSA-N 2 2 374.551 0.669 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890557 675906399 /nfs/dbraw/zinc/90/63/99/675906399.db2.gz JLZMNBYDQFRNRL-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP Cc1nnsc1C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890557 675906400 /nfs/dbraw/zinc/90/64/00/675906400.db2.gz JLZMNBYDQFRNRL-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP Cc1nnsc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890557 675906402 /nfs/dbraw/zinc/90/64/02/675906402.db2.gz JLZMNBYDQFRNRL-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP Cc1nnsc1C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048890557 675906403 /nfs/dbraw/zinc/90/64/03/675906403.db2.gz JLZMNBYDQFRNRL-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952554 675909946 /nfs/dbraw/zinc/90/99/46/675909946.db2.gz NHZIIFCQZYUXHK-XDNAFOTISA-N 2 2 351.491 0.665 20 0 FCADLP CC(C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952554 675909947 /nfs/dbraw/zinc/90/99/47/675909947.db2.gz NHZIIFCQZYUXHK-XDNAFOTISA-N 2 2 351.491 0.665 20 0 FCADLP O=C1OCCN1[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852435858 671507098 /nfs/dbraw/zinc/50/70/98/671507098.db2.gz CGIAIGQNLFTWOT-GJZGRUSLSA-N 2 2 352.435 0.430 20 0 FCADLP O=C1OCCN1[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852435858 671507103 /nfs/dbraw/zinc/50/71/03/671507103.db2.gz CGIAIGQNLFTWOT-GJZGRUSLSA-N 2 2 352.435 0.430 20 0 FCADLP Cc1cn2c(nc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc2=O)s1 ZINC000903450481 675930792 /nfs/dbraw/zinc/93/07/92/675930792.db2.gz XCGUHKFLYDNOSS-AWEZNQCLSA-N 2 2 363.487 0.884 20 0 FCADLP Cc1cn2c(nc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc2=O)s1 ZINC000903450481 675930794 /nfs/dbraw/zinc/93/07/94/675930794.db2.gz XCGUHKFLYDNOSS-AWEZNQCLSA-N 2 2 363.487 0.884 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000803513498 675932179 /nfs/dbraw/zinc/93/21/79/675932179.db2.gz XTDVGNXTLYQAIZ-MRXNPFEDSA-N 2 2 355.479 0.585 20 0 FCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000115825639 671748536 /nfs/dbraw/zinc/74/85/36/671748536.db2.gz DQEIWVLFNHVAJH-OAHLLOKOSA-N 2 2 374.551 0.479 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000115825639 671748540 /nfs/dbraw/zinc/74/85/40/671748540.db2.gz DQEIWVLFNHVAJH-OAHLLOKOSA-N 2 2 374.551 0.479 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CCO)CC2)O1 ZINC001052992345 675990150 /nfs/dbraw/zinc/99/01/50/675990150.db2.gz HXTSYQHUGKNWPR-NRSFXHEJSA-N 2 2 351.491 0.686 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CCO)CC2)O1 ZINC001052992345 675990153 /nfs/dbraw/zinc/99/01/53/675990153.db2.gz HXTSYQHUGKNWPR-NRSFXHEJSA-N 2 2 351.491 0.686 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC4CCCC4)C3)C2)O1 ZINC001053304573 675993700 /nfs/dbraw/zinc/99/37/00/675993700.db2.gz LGVOZRHNMNGNAP-NVXWUHKLSA-N 2 2 351.491 0.809 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCOC3(C[NH+](CC4CCCC4)C3)C2)O1 ZINC001053304573 675993701 /nfs/dbraw/zinc/99/37/01/675993701.db2.gz LGVOZRHNMNGNAP-NVXWUHKLSA-N 2 2 351.491 0.809 20 0 FCADLP CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055594031 676025948 /nfs/dbraw/zinc/02/59/48/676025948.db2.gz FCDFQDRSSVAWPZ-GDBMZVCRSA-N 2 2 354.495 0.202 20 0 FCADLP CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055594031 676025950 /nfs/dbraw/zinc/02/59/50/676025950.db2.gz FCDFQDRSSVAWPZ-GDBMZVCRSA-N 2 2 354.495 0.202 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CCO1 ZINC000875195194 672846017 /nfs/dbraw/zinc/84/60/17/672846017.db2.gz POKYHVCUNAZWQO-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CCO1 ZINC000875195194 672846021 /nfs/dbraw/zinc/84/60/21/672846021.db2.gz POKYHVCUNAZWQO-INIZCTEOSA-N 2 2 354.495 0.461 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000875312970 672866633 /nfs/dbraw/zinc/86/66/33/672866633.db2.gz KORJDVZGQGDNHS-IRXDYDNUSA-N 2 2 355.527 0.280 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000875312970 672866641 /nfs/dbraw/zinc/86/66/41/672866641.db2.gz KORJDVZGQGDNHS-IRXDYDNUSA-N 2 2 355.527 0.280 20 0 FCADLP Cn1ccnc1[C@@](O)(C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(F)(F)F ZINC000877148661 672999619 /nfs/dbraw/zinc/99/96/19/672999619.db2.gz RNHHZSRTWBUQCB-HNNXBMFYSA-N 2 2 364.412 0.995 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877434377 673013930 /nfs/dbraw/zinc/01/39/30/673013930.db2.gz QMIVASPOALJFPI-LSDHHAIUSA-N 2 2 350.467 0.433 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000877434377 673013938 /nfs/dbraw/zinc/01/39/38/673013938.db2.gz QMIVASPOALJFPI-LSDHHAIUSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCF)CC3)C2)O1 ZINC001052043100 676113374 /nfs/dbraw/zinc/11/33/74/676113374.db2.gz OTCJUKQNCJCQJA-BRWVUGGUSA-N 2 2 356.486 0.284 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCF)CC3)C2)O1 ZINC001052043100 676113376 /nfs/dbraw/zinc/11/33/76/676113376.db2.gz OTCJUKQNCJCQJA-BRWVUGGUSA-N 2 2 356.486 0.284 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C/C=C/Cl)CC3)C2)O1 ZINC001052043454 676113770 /nfs/dbraw/zinc/11/37/70/676113770.db2.gz YYGLENHIUZZKBH-HCGXZRIXSA-N 2 2 370.925 0.677 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCN(C/C=C/Cl)CC3)C2)O1 ZINC001052043454 676113771 /nfs/dbraw/zinc/11/37/71/676113771.db2.gz YYGLENHIUZZKBH-HCGXZRIXSA-N 2 2 370.925 0.677 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cnn(C)n3)CC2)O1 ZINC001052490547 676124608 /nfs/dbraw/zinc/12/46/08/676124608.db2.gz VGSHCUDGQQHOIP-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cnn(C)n3)CC2)O1 ZINC001052490547 676124611 /nfs/dbraw/zinc/12/46/11/676124611.db2.gz VGSHCUDGQQHOIP-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)O1 ZINC001052490547 676124614 /nfs/dbraw/zinc/12/46/14/676124614.db2.gz VGSHCUDGQQHOIP-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)O1 ZINC001052490547 676124616 /nfs/dbraw/zinc/12/46/16/676124616.db2.gz VGSHCUDGQQHOIP-IJEWVQPXSA-N 2 2 350.467 0.005 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052491233 676124732 /nfs/dbraw/zinc/12/47/32/676124732.db2.gz ZROYOTIFZLUNCG-IVMMDQJWSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052491233 676124735 /nfs/dbraw/zinc/12/47/35/676124735.db2.gz ZROYOTIFZLUNCG-IVMMDQJWSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491233 676124737 /nfs/dbraw/zinc/12/47/37/676124737.db2.gz ZROYOTIFZLUNCG-IVMMDQJWSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1nonc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052491233 676124740 /nfs/dbraw/zinc/12/47/40/676124740.db2.gz ZROYOTIFZLUNCG-IVMMDQJWSA-N 2 2 351.451 0.568 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424947 673374894 /nfs/dbraw/zinc/37/48/94/673374894.db2.gz HXVDCKHUFPGADW-IRXDYDNUSA-N 2 2 351.491 0.858 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883424947 673374898 /nfs/dbraw/zinc/37/48/98/673374898.db2.gz HXVDCKHUFPGADW-IRXDYDNUSA-N 2 2 351.491 0.858 20 0 FCADLP COCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000884235741 673440915 /nfs/dbraw/zinc/44/09/15/673440915.db2.gz CMONCFQNFRJBPB-QGZVFWFLSA-N 2 2 350.463 0.615 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000884727413 673478260 /nfs/dbraw/zinc/47/82/60/673478260.db2.gz SKDYECUHFDUSFC-CHWSQXEVSA-N 2 2 358.364 0.910 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774905 673480820 /nfs/dbraw/zinc/48/08/20/673480820.db2.gz ULDQXJXKUOXQGG-CAOSSQGBSA-N 2 2 354.495 0.201 20 0 FCADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884774905 673480821 /nfs/dbraw/zinc/48/08/21/673480821.db2.gz ULDQXJXKUOXQGG-CAOSSQGBSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884977038 673495501 /nfs/dbraw/zinc/49/55/01/673495501.db2.gz HTIBDGXQFFJZFS-GXTWGEPZSA-N 2 2 363.487 0.199 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428976 673584147 /nfs/dbraw/zinc/58/41/47/673584147.db2.gz PLNPRPBKUSAONV-QAPCUYQASA-N 2 2 357.495 0.793 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000886428976 673584149 /nfs/dbraw/zinc/58/41/49/673584149.db2.gz PLNPRPBKUSAONV-QAPCUYQASA-N 2 2 357.495 0.793 20 0 FCADLP COC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@H]1CCCOC1 ZINC000886786745 673598983 /nfs/dbraw/zinc/59/89/83/673598983.db2.gz IXTFCBXNSBDKCE-PKOBYXMFSA-N 2 2 355.523 0.814 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000888014627 673664027 /nfs/dbraw/zinc/66/40/27/673664027.db2.gz NCDMZZIBOJAKQG-CZUORRHYSA-N 2 2 352.479 0.653 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCC12OCCO2 ZINC000889514150 673678669 /nfs/dbraw/zinc/67/86/69/673678669.db2.gz IIXAVSOZCSJLTB-INIZCTEOSA-N 2 2 354.495 0.949 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCC12OCCO2 ZINC000889514150 673678673 /nfs/dbraw/zinc/67/86/73/673678673.db2.gz IIXAVSOZCSJLTB-INIZCTEOSA-N 2 2 354.495 0.949 20 0 FCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(Br)CC1 ZINC000925447644 673792443 /nfs/dbraw/zinc/79/24/43/673792443.db2.gz ZYWVMRAJYQFNAY-STQMWFEESA-N 2 2 360.296 0.825 20 0 FCADLP C[C@H]1[NH2+]CCC[C@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000925485576 673792993 /nfs/dbraw/zinc/79/29/93/673792993.db2.gz NPZJEZLDLUGNSA-HZPDHXFCSA-N 2 2 367.519 0.264 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000925589531 673794697 /nfs/dbraw/zinc/79/46/97/673794697.db2.gz JNQREQASBYZWPY-IAGOWNOFSA-N 2 2 356.511 0.849 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000925598754 673795984 /nfs/dbraw/zinc/79/59/84/673795984.db2.gz UPMWSEXMKRNCSE-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000925598754 673795987 /nfs/dbraw/zinc/79/59/87/673795987.db2.gz UPMWSEXMKRNCSE-HOTGVXAUSA-N 2 2 356.511 0.584 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000925967285 673806847 /nfs/dbraw/zinc/80/68/47/673806847.db2.gz ZAKVACULHPZCNP-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP CCN1CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000925967285 673806849 /nfs/dbraw/zinc/80/68/49/673806849.db2.gz ZAKVACULHPZCNP-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000927632504 673871590 /nfs/dbraw/zinc/87/15/90/673871590.db2.gz FWUOKYVIVWZGPE-IAGOWNOFSA-N 2 2 352.479 0.356 20 0 FCADLP O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000927632504 673871594 /nfs/dbraw/zinc/87/15/94/673871594.db2.gz FWUOKYVIVWZGPE-IAGOWNOFSA-N 2 2 352.479 0.356 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)N(C)C)O1 ZINC000968913123 675249619 /nfs/dbraw/zinc/24/96/19/675249619.db2.gz BPJRKVSNWXVKOX-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC(=O)N(C)C)O1 ZINC000968913123 675249622 /nfs/dbraw/zinc/24/96/22/675249622.db2.gz BPJRKVSNWXVKOX-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969071793 675268586 /nfs/dbraw/zinc/26/85/86/675268586.db2.gz GMUNVJFIJYFTBJ-XNRPHZJLSA-N 2 2 350.467 0.016 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000969071793 675268589 /nfs/dbraw/zinc/26/85/89/675268589.db2.gz GMUNVJFIJYFTBJ-XNRPHZJLSA-N 2 2 350.467 0.016 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001014923300 675393618 /nfs/dbraw/zinc/39/36/18/675393618.db2.gz HTPDMLPYEQEEOP-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCn3cc(Cl)cn3)C2)O1 ZINC001014923300 675393620 /nfs/dbraw/zinc/39/36/20/675393620.db2.gz HTPDMLPYEQEEOP-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001014923300 675393621 /nfs/dbraw/zinc/39/36/21/675393621.db2.gz HTPDMLPYEQEEOP-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)O1 ZINC001014923300 675393623 /nfs/dbraw/zinc/39/36/23/675393623.db2.gz HTPDMLPYEQEEOP-VHDGCEQUSA-N 2 2 355.870 0.446 20 0 FCADLP CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001016742512 675404936 /nfs/dbraw/zinc/40/49/36/675404936.db2.gz CLCVCIZBCMBTSE-IKGGRYGDSA-N 2 2 351.491 0.857 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001017153448 675409121 /nfs/dbraw/zinc/40/91/21/675409121.db2.gz PFDJBTDFSTWWRH-IJEWVQPXSA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3cnns3)C2)O1 ZINC001017153448 675409123 /nfs/dbraw/zinc/40/91/23/675409123.db2.gz PFDJBTDFSTWWRH-IJEWVQPXSA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3cnns3)C2)O1 ZINC001017153448 675409125 /nfs/dbraw/zinc/40/91/25/675409125.db2.gz PFDJBTDFSTWWRH-IJEWVQPXSA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3cnns3)C2)O1 ZINC001017153448 675409127 /nfs/dbraw/zinc/40/91/27/675409127.db2.gz PFDJBTDFSTWWRH-IJEWVQPXSA-N 2 2 367.519 0.928 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019030955 675420082 /nfs/dbraw/zinc/42/00/82/675420082.db2.gz BPXMHRUUQKVWFW-QLFBSQMISA-N 2 2 350.467 0.269 20 0 FCADLP CC(C)n1ncnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019030955 675420084 /nfs/dbraw/zinc/42/00/84/675420084.db2.gz BPXMHRUUQKVWFW-QLFBSQMISA-N 2 2 350.467 0.269 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001020286663 675439563 /nfs/dbraw/zinc/43/95/63/675439563.db2.gz ILWLTYPNNGOAOE-XVIXHAIJSA-N 2 2 351.451 0.649 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001020286663 675439564 /nfs/dbraw/zinc/43/95/64/675439564.db2.gz ILWLTYPNNGOAOE-XVIXHAIJSA-N 2 2 351.451 0.649 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001020288025 675439844 /nfs/dbraw/zinc/43/98/44/675439844.db2.gz WABVZVLXRIXOMK-IXYNUQLISA-N 2 2 350.467 0.315 20 0 FCADLP CC(C)n1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001020288025 675439845 /nfs/dbraw/zinc/43/98/45/675439845.db2.gz WABVZVLXRIXOMK-IXYNUQLISA-N 2 2 350.467 0.315 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnns4)C3)C2)O1 ZINC001041402903 675520307 /nfs/dbraw/zinc/52/03/07/675520307.db2.gz LAQPCWDPMZGAHP-FRFSOERESA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@]3(CC[NH+](Cc4cnns4)C3)C2)O1 ZINC001041402903 675520311 /nfs/dbraw/zinc/52/03/11/675520311.db2.gz LAQPCWDPMZGAHP-FRFSOERESA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4cnns4)C3)C2)O1 ZINC001041402903 675520312 /nfs/dbraw/zinc/52/03/12/675520312.db2.gz LAQPCWDPMZGAHP-FRFSOERESA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cnns4)C3)C2)O1 ZINC001041402903 675520315 /nfs/dbraw/zinc/52/03/15/675520315.db2.gz LAQPCWDPMZGAHP-FRFSOERESA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnns4)C3)C2)O1 ZINC001041402904 675520371 /nfs/dbraw/zinc/52/03/71/675520371.db2.gz LAQPCWDPMZGAHP-UNEWFSDZSA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@]3(CC[NH+](Cc4cnns4)C3)C2)O1 ZINC001041402904 675520373 /nfs/dbraw/zinc/52/03/73/675520373.db2.gz LAQPCWDPMZGAHP-UNEWFSDZSA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4cnns4)C3)C2)O1 ZINC001041402904 675520375 /nfs/dbraw/zinc/52/03/75/675520375.db2.gz LAQPCWDPMZGAHP-UNEWFSDZSA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](Cc4cnns4)C3)C2)O1 ZINC001041402904 675520377 /nfs/dbraw/zinc/52/03/77/675520377.db2.gz LAQPCWDPMZGAHP-UNEWFSDZSA-N 2 2 365.503 0.682 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001045043562 675649782 /nfs/dbraw/zinc/64/97/82/675649782.db2.gz HUGDWZSLVYZVCS-HZSPNIEDSA-N 2 2 350.467 0.556 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001045043562 675649783 /nfs/dbraw/zinc/64/97/83/675649783.db2.gz HUGDWZSLVYZVCS-HZSPNIEDSA-N 2 2 350.467 0.556 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900646672 675703385 /nfs/dbraw/zinc/70/33/85/675703385.db2.gz NXMJOERAKIMVPN-HZPDHXFCSA-N 2 2 357.520 0.629 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900646672 675703388 /nfs/dbraw/zinc/70/33/88/675703388.db2.gz NXMJOERAKIMVPN-HZPDHXFCSA-N 2 2 357.520 0.629 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000900963671 675735465 /nfs/dbraw/zinc/73/54/65/675735465.db2.gz BSTXRUPIXIHMNW-GOSISDBHSA-N 2 2 352.523 0.583 20 0 FCADLP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901037022 675744084 /nfs/dbraw/zinc/74/40/84/675744084.db2.gz XAEIISTZGPDPIP-ABHNRTSZSA-N 2 2 351.491 0.811 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(F)cn3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386498 675796667 /nfs/dbraw/zinc/79/66/67/675796667.db2.gz XFMAOLBALWZGBZ-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(F)cn3)C[C@@H]2O)CC[N@H+]1C ZINC001047386498 675796670 /nfs/dbraw/zinc/79/66/70/675796670.db2.gz XFMAOLBALWZGBZ-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047386498 675796673 /nfs/dbraw/zinc/79/66/73/675796673.db2.gz XFMAOLBALWZGBZ-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@@H]2O)CC[NH+]1C ZINC001047386498 675796674 /nfs/dbraw/zinc/79/66/74/675796674.db2.gz XFMAOLBALWZGBZ-VZEFYGNVSA-N 2 2 350.438 0.564 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047428951 675799442 /nfs/dbraw/zinc/79/94/42/675799442.db2.gz RRZXBMNAOUVZMK-UQOMUDLDSA-N 2 2 368.503 0.174 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047428951 675799444 /nfs/dbraw/zinc/79/94/44/675799444.db2.gz RRZXBMNAOUVZMK-UQOMUDLDSA-N 2 2 368.503 0.174 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428951 675799448 /nfs/dbraw/zinc/79/94/48/675799448.db2.gz RRZXBMNAOUVZMK-UQOMUDLDSA-N 2 2 368.503 0.174 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428951 675799451 /nfs/dbraw/zinc/79/94/51/675799451.db2.gz RRZXBMNAOUVZMK-UQOMUDLDSA-N 2 2 368.503 0.174 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897488755 1192193298 /nfs/dbraw/zinc/19/32/98/1192193298.db2.gz LJCYVKUPSGIJLG-HUUCEWRRSA-N 2 2 356.430 0.520 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC000969702951 1168065237 /nfs/dbraw/zinc/06/52/37/1168065237.db2.gz CJBIIQPSQJMDOJ-CKEIUWERSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC000969702951 1168065245 /nfs/dbraw/zinc/06/52/45/1168065245.db2.gz CJBIIQPSQJMDOJ-CKEIUWERSA-N 2 2 366.506 0.058 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193463 1168224912 /nfs/dbraw/zinc/22/49/12/1168224912.db2.gz SRGNPBDYYFJXFK-JCGIZDLHSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193463 1168224924 /nfs/dbraw/zinc/22/49/24/1168224924.db2.gz SRGNPBDYYFJXFK-JCGIZDLHSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193463 1168224938 /nfs/dbraw/zinc/22/49/38/1168224938.db2.gz SRGNPBDYYFJXFK-JCGIZDLHSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193463 1168224951 /nfs/dbraw/zinc/22/49/51/1168224951.db2.gz SRGNPBDYYFJXFK-JCGIZDLHSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1ccc(C(=O)NNC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000075937867 1168232807 /nfs/dbraw/zinc/23/28/07/1168232807.db2.gz JXWJQGQJLFGOFK-UHFFFAOYSA-N 2 2 374.485 0.800 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958237 1168235671 /nfs/dbraw/zinc/23/56/71/1168235671.db2.gz KBIVVKVPJZNFFY-PBFPGSCMSA-N 2 2 364.494 0.262 20 0 FCADLP CCn1nnc(C)c1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958237 1168235678 /nfs/dbraw/zinc/23/56/78/1168235678.db2.gz KBIVVKVPJZNFFY-PBFPGSCMSA-N 2 2 364.494 0.262 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC000970042126 1168304000 /nfs/dbraw/zinc/30/40/00/1168304000.db2.gz ZVIDJHIEMAMXNJ-FIDHJVLJSA-N 2 2 371.485 0.677 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000970042126 1168304010 /nfs/dbraw/zinc/30/40/10/1168304010.db2.gz ZVIDJHIEMAMXNJ-FIDHJVLJSA-N 2 2 371.485 0.677 20 0 FCADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194159 1168305175 /nfs/dbraw/zinc/30/51/75/1168305175.db2.gz YONJYRFTBHKPPJ-XOKHGSTOSA-N 2 2 364.446 0.176 20 0 FCADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194159 1168305179 /nfs/dbraw/zinc/30/51/79/1168305179.db2.gz YONJYRFTBHKPPJ-XOKHGSTOSA-N 2 2 364.446 0.176 20 0 FCADLP CCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001167271477 1168481949 /nfs/dbraw/zinc/48/19/49/1168481949.db2.gz SVTCLLNZKIUKBU-HUUCEWRRSA-N 2 2 361.490 0.926 20 0 FCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC000970440094 1168880797 /nfs/dbraw/zinc/88/07/97/1168880797.db2.gz PTHGGILUHWMUGJ-KBRIMQKVSA-N 2 2 356.474 0.936 20 0 FCADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001021287852 1168913261 /nfs/dbraw/zinc/91/32/61/1168913261.db2.gz DOTPLQLPUUQDHN-WFDRTZIDSA-N 2 2 355.446 0.917 20 0 FCADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001021287852 1168913275 /nfs/dbraw/zinc/91/32/75/1168913275.db2.gz DOTPLQLPUUQDHN-WFDRTZIDSA-N 2 2 355.446 0.917 20 0 FCADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001021287852 1168913287 /nfs/dbraw/zinc/91/32/87/1168913287.db2.gz DOTPLQLPUUQDHN-WFDRTZIDSA-N 2 2 355.446 0.917 20 0 FCADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001021287852 1168913304 /nfs/dbraw/zinc/91/33/04/1168913304.db2.gz DOTPLQLPUUQDHN-WFDRTZIDSA-N 2 2 355.446 0.917 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212036012 1192341151 /nfs/dbraw/zinc/34/11/51/1192341151.db2.gz FQYBSFHMFCPHEL-BRWVUGGUSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001212036012 1192341156 /nfs/dbraw/zinc/34/11/56/1192341156.db2.gz FQYBSFHMFCPHEL-BRWVUGGUSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001212036012 1192341164 /nfs/dbraw/zinc/34/11/64/1192341164.db2.gz FQYBSFHMFCPHEL-BRWVUGGUSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001212036012 1192341168 /nfs/dbraw/zinc/34/11/68/1192341168.db2.gz FQYBSFHMFCPHEL-BRWVUGGUSA-N 2 2 368.522 0.541 20 0 FCADLP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c1 ZINC000970957804 1169844312 /nfs/dbraw/zinc/84/43/12/1169844312.db2.gz GRUJLXJCGHSYLC-SJORKVTESA-N 2 2 371.441 0.016 20 0 FCADLP C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)CC1 ZINC001021636057 1169855826 /nfs/dbraw/zinc/85/58/26/1169855826.db2.gz JHVNUUSKLCQJTF-DOTOQJQBSA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104314126 1169897688 /nfs/dbraw/zinc/89/76/88/1169897688.db2.gz GBROFZHDSDPNRF-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)N1CCC1 ZINC001104314126 1169897694 /nfs/dbraw/zinc/89/76/94/1169897694.db2.gz GBROFZHDSDPNRF-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1)n1cc[nH+]c1 ZINC001021708988 1169907574 /nfs/dbraw/zinc/90/75/74/1169907574.db2.gz NNNONIAVNWZKCA-YESZJQIVSA-N 2 2 359.474 0.989 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001021714779 1169922928 /nfs/dbraw/zinc/92/29/28/1169922928.db2.gz OYCHLBLBXQPNSY-JKSUJKDBSA-N 2 2 356.430 0.538 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141456 1170009757 /nfs/dbraw/zinc/00/97/57/1170009757.db2.gz MUKLVTRZHNHMET-PMPSAXMXSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141456 1170009761 /nfs/dbraw/zinc/00/97/61/1170009761.db2.gz MUKLVTRZHNHMET-PMPSAXMXSA-N 2 2 364.494 0.345 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001087141717 1170009858 /nfs/dbraw/zinc/00/98/58/1170009858.db2.gz UNOIUPJYNSYSNC-FHLIZLRMSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001087141717 1170009862 /nfs/dbraw/zinc/00/98/62/1170009862.db2.gz UNOIUPJYNSYSNC-FHLIZLRMSA-N 2 2 361.490 0.832 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112501220 1170027651 /nfs/dbraw/zinc/02/76/51/1170027651.db2.gz PUBXHGJJVZRTEU-LPHOPBHVSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083215104 1170069704 /nfs/dbraw/zinc/06/97/04/1170069704.db2.gz IGJLOIVHCDGVCQ-HYVNUMGLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083215104 1170069712 /nfs/dbraw/zinc/06/97/12/1170069712.db2.gz IGJLOIVHCDGVCQ-HYVNUMGLSA-N 2 2 366.506 0.107 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)CC[N@@H+]1C ZINC001021803109 1170078745 /nfs/dbraw/zinc/07/87/45/1170078745.db2.gz ROGHZICBBDLREY-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)CC[N@H+]1C ZINC001021803109 1170078750 /nfs/dbraw/zinc/07/87/50/1170078750.db2.gz ROGHZICBBDLREY-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2)C(=O)N(C)C ZINC001112503227 1170136732 /nfs/dbraw/zinc/13/67/32/1170136732.db2.gz FODQRSRXPADYMY-GJYPPUQNSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1C(=O)C[NH+]1CCCC1 ZINC000988724679 1192405732 /nfs/dbraw/zinc/40/57/32/1192405732.db2.gz HUWCBRFGWQEJRX-VYDXJSESSA-N 2 2 359.474 0.647 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)CC1 ZINC001022012540 1170388748 /nfs/dbraw/zinc/38/87/48/1170388748.db2.gz KCKICWBAMBDXCY-BVIKNXMNSA-N 2 2 371.485 0.914 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)CC1 ZINC001022012540 1170388750 /nfs/dbraw/zinc/38/87/50/1170388750.db2.gz KCKICWBAMBDXCY-BVIKNXMNSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1CC[NH2+]Cc1cnn(C)n1 ZINC001104367200 1170651410 /nfs/dbraw/zinc/65/14/10/1170651410.db2.gz KNDJBUIPLWQNNF-BZUAXINKSA-N 2 2 371.489 0.848 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CCOC)n3)C2)CC[N@@H+]1C ZINC001022109002 1170670806 /nfs/dbraw/zinc/67/08/06/1170670806.db2.gz AGAZBFITEHZLGB-LJISPDSOSA-N 2 2 365.478 0.726 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CCOC)n3)C2)CC[N@H+]1C ZINC001022109002 1170670814 /nfs/dbraw/zinc/67/08/14/1170670814.db2.gz AGAZBFITEHZLGB-LJISPDSOSA-N 2 2 365.478 0.726 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001022213146 1170759117 /nfs/dbraw/zinc/75/91/17/1170759117.db2.gz YCEWXSZAVHYEPT-GOEBONIOSA-N 2 2 359.474 0.506 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001022252288 1170807610 /nfs/dbraw/zinc/80/76/10/1170807610.db2.gz BYQYVALYVLLIIT-JKSUJKDBSA-N 2 2 356.430 0.538 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691159677 1170843898 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20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCCCC2)O1 ZINC001027966965 1186243683 /nfs/dbraw/zinc/24/36/83/1186243683.db2.gz YWYOMMVENOZQRQ-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)N2CCCCC2)O1 ZINC001027966965 1186243689 /nfs/dbraw/zinc/24/36/89/1186243689.db2.gz YWYOMMVENOZQRQ-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)O1 ZINC001027966965 1186243696 /nfs/dbraw/zinc/24/36/96/1186243696.db2.gz YWYOMMVENOZQRQ-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCCCC2)O1 ZINC001027966965 1186243702 /nfs/dbraw/zinc/24/37/02/1186243702.db2.gz YWYOMMVENOZQRQ-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000981407556 1186412275 /nfs/dbraw/zinc/41/22/75/1186412275.db2.gz UNKONXITNITZAH-USXIJHARSA-N 2 2 359.474 0.626 20 0 FCADLP 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Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCc3ncnn32)CC1 ZINC000981993010 1186613542 /nfs/dbraw/zinc/61/35/42/1186613542.db2.gz UXPDBHXGCLQVEZ-BZUAXINKSA-N 2 2 369.473 0.837 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644094 1187569930 /nfs/dbraw/zinc/56/99/30/1187569930.db2.gz WEODVZCZKAHKKW-OTWHNJEPSA-N 2 2 359.470 0.542 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644094 1187569933 /nfs/dbraw/zinc/56/99/33/1187569933.db2.gz WEODVZCZKAHKKW-OTWHNJEPSA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644094 1187569939 /nfs/dbraw/zinc/56/99/39/1187569939.db2.gz WEODVZCZKAHKKW-OTWHNJEPSA-N 2 2 359.470 0.542 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(CO)cc4)C[C@H]32)C1 ZINC001075644094 1187569942 /nfs/dbraw/zinc/56/99/42/1187569942.db2.gz WEODVZCZKAHKKW-OTWHNJEPSA-N 2 2 359.470 0.542 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(COC)no3)C2)CC[N@@H+]1C ZINC001028550687 1187602737 /nfs/dbraw/zinc/60/27/37/1187602737.db2.gz GNBNEUIRCPYDCX-SOUVJXGZSA-N 2 2 365.478 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nc(COC)no3)C2)CC[N@H+]1C ZINC001028550687 1187602741 /nfs/dbraw/zinc/60/27/41/1187602741.db2.gz GNBNEUIRCPYDCX-SOUVJXGZSA-N 2 2 365.478 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nc(COC)no3)C2)CC[NH+]1C ZINC001028550687 1187602745 /nfs/dbraw/zinc/60/27/45/1187602745.db2.gz GNBNEUIRCPYDCX-SOUVJXGZSA-N 2 2 365.478 0.884 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(COC)no3)C2)CC[NH+]1C ZINC001028550687 1187602746 /nfs/dbraw/zinc/60/27/46/1187602746.db2.gz GNBNEUIRCPYDCX-SOUVJXGZSA-N 2 2 365.478 0.884 20 0 FCADLP COc1ccccc1OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372976 1187694615 /nfs/dbraw/zinc/69/46/15/1187694615.db2.gz NATGFCNRMYOTIB-OAGGEKHMSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372976 1187694623 /nfs/dbraw/zinc/69/46/23/1187694623.db2.gz NATGFCNRMYOTIB-OAGGEKHMSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372976 1187694628 /nfs/dbraw/zinc/69/46/28/1187694628.db2.gz NATGFCNRMYOTIB-OAGGEKHMSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccccc1OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372976 1187694635 /nfs/dbraw/zinc/69/46/35/1187694635.db2.gz NATGFCNRMYOTIB-OAGGEKHMSA-N 2 2 363.458 0.330 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384982 1187712459 /nfs/dbraw/zinc/71/24/59/1187712459.db2.gz AKDGULLPEALYGP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384982 1187712462 /nfs/dbraw/zinc/71/24/62/1187712462.db2.gz AKDGULLPEALYGP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384982 1187712467 /nfs/dbraw/zinc/71/24/67/1187712467.db2.gz AKDGULLPEALYGP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384982 1187712472 /nfs/dbraw/zinc/71/24/72/1187712472.db2.gz AKDGULLPEALYGP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384981 1187712840 /nfs/dbraw/zinc/71/28/40/1187712840.db2.gz AKDGULLPEALYGP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384981 1187712846 /nfs/dbraw/zinc/71/28/46/1187712846.db2.gz AKDGULLPEALYGP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384981 1187712851 /nfs/dbraw/zinc/71/28/51/1187712851.db2.gz AKDGULLPEALYGP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@@H](O)C2)c1 ZINC001083384981 1187712856 /nfs/dbraw/zinc/71/28/56/1187712856.db2.gz AKDGULLPEALYGP-CEXWTWQISA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385800 1187715911 /nfs/dbraw/zinc/71/59/11/1187715911.db2.gz ZKXQOFNVLIZTBP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385800 1187715919 /nfs/dbraw/zinc/71/59/19/1187715919.db2.gz ZKXQOFNVLIZTBP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385800 1187715922 /nfs/dbraw/zinc/71/59/22/1187715922.db2.gz ZKXQOFNVLIZTBP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP Cc1ccc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385800 1187715927 /nfs/dbraw/zinc/71/59/27/1187715927.db2.gz ZKXQOFNVLIZTBP-QYZOEREBSA-N 2 2 361.486 0.420 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000983032793 1187817541 /nfs/dbraw/zinc/81/75/41/1187817541.db2.gz KVVOHZARJXNYOR-YESZJQIVSA-N 2 2 361.490 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000983032793 1187817543 /nfs/dbraw/zinc/81/75/43/1187817543.db2.gz KVVOHZARJXNYOR-YESZJQIVSA-N 2 2 361.490 0.968 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@]2(F)C(=O)N(CCn3cc[nH+]c3)C[C@@]2(F)C1 ZINC001270155833 1188033884 /nfs/dbraw/zinc/03/38/84/1188033884.db2.gz VMVKQJDOKNGWTD-IAOVAPTHSA-N 2 2 367.400 0.078 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@]2(F)C(=O)N(CCn3cc[nH+]c3)C[C@@]2(F)C1 ZINC001270155833 1188033890 /nfs/dbraw/zinc/03/38/90/1188033890.db2.gz VMVKQJDOKNGWTD-IAOVAPTHSA-N 2 2 367.400 0.078 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C[C@H]21 ZINC001270273637 1188073728 /nfs/dbraw/zinc/07/37/28/1188073728.db2.gz YZGLJYSCHXDCCJ-CVEARBPZSA-N 2 2 358.446 0.232 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O)[NH+]1CCCC1 ZINC001270488179 1188169305 /nfs/dbraw/zinc/16/93/05/1188169305.db2.gz AJEXQTXTZNADGN-LPHOPBHVSA-N 2 2 359.474 0.961 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488733 1188171337 /nfs/dbraw/zinc/17/13/37/1188171337.db2.gz DJHPKTFRYONEHI-APWZRJJASA-N 2 2 359.474 0.818 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)C1 ZINC001270488733 1188171338 /nfs/dbraw/zinc/17/13/38/1188171338.db2.gz DJHPKTFRYONEHI-APWZRJJASA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1)[NH+]1CCCC1 ZINC001270490088 1188173571 /nfs/dbraw/zinc/17/35/71/1188173571.db2.gz KXWRQZGNNJVWCW-GVDBMIGSSA-N 2 2 359.474 0.959 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765507 1188214512 /nfs/dbraw/zinc/21/45/12/1188214512.db2.gz SMWQECAMXDQAST-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765507 1188214516 /nfs/dbraw/zinc/21/45/16/1188214516.db2.gz SMWQECAMXDQAST-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765507 1188214520 /nfs/dbraw/zinc/21/45/20/1188214520.db2.gz SMWQECAMXDQAST-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC001691765507 1188214522 /nfs/dbraw/zinc/21/45/22/1188214522.db2.gz SMWQECAMXDQAST-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000983690067 1188263873 /nfs/dbraw/zinc/26/38/73/1188263873.db2.gz KWEQBOBQHSRJCK-HHARLNAUSA-N 2 2 371.485 0.527 20 0 FCADLP Cc1nnc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029112193 1188294276 /nfs/dbraw/zinc/29/42/76/1188294276.db2.gz XITOQSZUYGWKIW-DVOMOZLQSA-N 2 2 365.478 0.814 20 0 FCADLP Cc1nnc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)o1 ZINC001029112193 1188294279 /nfs/dbraw/zinc/29/42/79/1188294279.db2.gz XITOQSZUYGWKIW-DVOMOZLQSA-N 2 2 365.478 0.814 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000550309390 1188315643 /nfs/dbraw/zinc/31/56/43/1188315643.db2.gz VMXMDMMONHPAOK-GDBMZVCRSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000550309390 1188315647 /nfs/dbraw/zinc/31/56/47/1188315647.db2.gz VMXMDMMONHPAOK-GDBMZVCRSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000550309393 1188315743 /nfs/dbraw/zinc/31/57/43/1188315743.db2.gz VMXMDMMONHPAOK-GOEBONIOSA-N 2 2 359.474 0.897 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000550309393 1188315745 /nfs/dbraw/zinc/31/57/45/1188315745.db2.gz VMXMDMMONHPAOK-GOEBONIOSA-N 2 2 359.474 0.897 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355841 1188342676 /nfs/dbraw/zinc/34/26/76/1188342676.db2.gz JCRITHBBQAELDQ-DOTOQJQBSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000550355841 1188342678 /nfs/dbraw/zinc/34/26/78/1188342678.db2.gz JCRITHBBQAELDQ-DOTOQJQBSA-N 2 2 366.506 0.202 20 0 FCADLP COc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC000983928667 1188399874 /nfs/dbraw/zinc/39/98/74/1188399874.db2.gz XCVGYFJCPPQTTK-QHSBEEBCSA-N 2 2 356.430 0.996 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC001691516111 1188400771 /nfs/dbraw/zinc/40/07/71/1188400771.db2.gz URHHBSIDRYWPQM-YESZJQIVSA-N 2 2 366.506 0.347 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC001691516111 1188400775 /nfs/dbraw/zinc/40/07/75/1188400775.db2.gz URHHBSIDRYWPQM-YESZJQIVSA-N 2 2 366.506 0.347 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000983954003 1188409756 /nfs/dbraw/zinc/40/97/56/1188409756.db2.gz OOHUIEMQOMSWBV-KBMXLJTQSA-N 2 2 361.490 0.956 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000983954003 1188409759 /nfs/dbraw/zinc/40/97/59/1188409759.db2.gz OOHUIEMQOMSWBV-KBMXLJTQSA-N 2 2 361.490 0.956 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC000984011373 1189369835 /nfs/dbraw/zinc/36/98/35/1189369835.db2.gz CIYVSLAWXFBOGW-KBUPBQIOSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1noc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012426 1189372902 /nfs/dbraw/zinc/37/29/02/1189372902.db2.gz FWMAIOBTQFCEOF-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1noc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000984012426 1189372909 /nfs/dbraw/zinc/37/29/09/1189372909.db2.gz FWMAIOBTQFCEOF-KJWHEZOQSA-N 2 2 365.478 0.897 20 0 FCADLP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1=O ZINC001270972523 1189460158 /nfs/dbraw/zinc/46/01/58/1189460158.db2.gz PKDUWMJABLBOQR-IBGZPJMESA-N 2 2 355.442 0.961 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(=O)Nc1cnccn1 ZINC001087578088 1189617900 /nfs/dbraw/zinc/61/79/00/1189617900.db2.gz ZYYPHMYLDRMUQV-LVQVYYBASA-N 2 2 374.489 0.724 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(=O)Nc1cnccn1 ZINC001087578088 1189617912 /nfs/dbraw/zinc/61/79/12/1189617912.db2.gz ZYYPHMYLDRMUQV-LVQVYYBASA-N 2 2 374.489 0.724 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)Nc1cnccn1 ZINC001087578088 1189617925 /nfs/dbraw/zinc/61/79/25/1189617925.db2.gz ZYYPHMYLDRMUQV-LVQVYYBASA-N 2 2 374.489 0.724 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)Nc1cnccn1 ZINC001087578088 1189617937 /nfs/dbraw/zinc/61/79/37/1189617937.db2.gz ZYYPHMYLDRMUQV-LVQVYYBASA-N 2 2 374.489 0.724 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087642627 1189691696 /nfs/dbraw/zinc/69/16/96/1189691696.db2.gz ZHRZOXUZGROBPL-LSDHHAIUSA-N 2 2 369.429 0.539 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087642627 1189691706 /nfs/dbraw/zinc/69/17/06/1189691706.db2.gz ZHRZOXUZGROBPL-LSDHHAIUSA-N 2 2 369.429 0.539 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000550515566 1189807418 /nfs/dbraw/zinc/80/74/18/1189807418.db2.gz XAPHKFISPMZIRV-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550518745 1189810579 /nfs/dbraw/zinc/81/05/79/1189810579.db2.gz IIVPLWJCZVWMFN-HOTGVXAUSA-N 2 2 367.538 0.070 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550518745 1189810580 /nfs/dbraw/zinc/81/05/80/1189810580.db2.gz IIVPLWJCZVWMFN-HOTGVXAUSA-N 2 2 367.538 0.070 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550518745 1189810583 /nfs/dbraw/zinc/81/05/83/1189810583.db2.gz IIVPLWJCZVWMFN-HOTGVXAUSA-N 2 2 367.538 0.070 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001271142860 1189813825 /nfs/dbraw/zinc/81/38/25/1189813825.db2.gz GRSJEWXECKSXID-VQIMIIECSA-N 2 2 359.474 0.818 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001087847812 1189852026 /nfs/dbraw/zinc/85/20/26/1189852026.db2.gz SEONWAZRJUYOCW-HRCADAONSA-N 2 2 363.462 0.100 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC001087847812 1189852029 /nfs/dbraw/zinc/85/20/29/1189852029.db2.gz SEONWAZRJUYOCW-HRCADAONSA-N 2 2 363.462 0.100 20 0 FCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895463697 1189858961 /nfs/dbraw/zinc/85/89/61/1189858961.db2.gz ANESIKBLOAQPNC-OALUTQOASA-N 2 2 359.470 0.724 20 0 FCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895463697 1189858962 /nfs/dbraw/zinc/85/89/62/1189858962.db2.gz ANESIKBLOAQPNC-OALUTQOASA-N 2 2 359.470 0.724 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908623 1189893829 /nfs/dbraw/zinc/89/38/29/1189893829.db2.gz IGYONBYLIUJEEO-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087908623 1189893832 /nfs/dbraw/zinc/89/38/32/1189893832.db2.gz IGYONBYLIUJEEO-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087908623 1189893835 /nfs/dbraw/zinc/89/38/35/1189893835.db2.gz IGYONBYLIUJEEO-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087908623 1189893836 /nfs/dbraw/zinc/89/38/36/1189893836.db2.gz IGYONBYLIUJEEO-ILXRZTDVSA-N 2 2 363.462 0.591 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920371 1189906007 /nfs/dbraw/zinc/90/60/07/1189906007.db2.gz MUPSMNRRKQXEHU-RYRKJORJSA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920371 1189906015 /nfs/dbraw/zinc/90/60/15/1189906015.db2.gz MUPSMNRRKQXEHU-RYRKJORJSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920371 1189906023 /nfs/dbraw/zinc/90/60/23/1189906023.db2.gz MUPSMNRRKQXEHU-RYRKJORJSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncc(F)c4)CC[C@@H]3C2)C1 ZINC001087920371 1189906027 /nfs/dbraw/zinc/90/60/27/1189906027.db2.gz MUPSMNRRKQXEHU-RYRKJORJSA-N 2 2 362.449 0.832 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1)C1CC1 ZINC001087950508 1189980194 /nfs/dbraw/zinc/98/01/94/1189980194.db2.gz WFUXUNVLGWEODQ-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1)C1CC1 ZINC001087950508 1189980202 /nfs/dbraw/zinc/98/02/02/1189980202.db2.gz WFUXUNVLGWEODQ-CABCVRRESA-N 2 2 359.474 0.743 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986313 1190114829 /nfs/dbraw/zinc/11/48/29/1190114829.db2.gz FYZFJDQAFCCHEU-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986313 1190114832 /nfs/dbraw/zinc/11/48/32/1190114832.db2.gz FYZFJDQAFCCHEU-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986313 1190114833 /nfs/dbraw/zinc/11/48/33/1190114833.db2.gz FYZFJDQAFCCHEU-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001087986313 1190114835 /nfs/dbraw/zinc/11/48/35/1190114835.db2.gz FYZFJDQAFCCHEU-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088000616 1190171315 /nfs/dbraw/zinc/17/13/15/1190171315.db2.gz RTVWVGZUXKLZIT-QKPAOTATSA-N 2 2 355.446 0.585 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088000616 1190171317 /nfs/dbraw/zinc/17/13/17/1190171317.db2.gz RTVWVGZUXKLZIT-QKPAOTATSA-N 2 2 355.446 0.585 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088000616 1190171320 /nfs/dbraw/zinc/17/13/20/1190171320.db2.gz RTVWVGZUXKLZIT-QKPAOTATSA-N 2 2 355.446 0.585 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088000616 1190171322 /nfs/dbraw/zinc/17/13/22/1190171322.db2.gz RTVWVGZUXKLZIT-QKPAOTATSA-N 2 2 355.446 0.585 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001088010994 1190208757 /nfs/dbraw/zinc/20/87/57/1190208757.db2.gz UEKHDHRADAJCHL-OWCLPIDISA-N 2 2 363.510 0.875 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C(C)C)CC[C@@H]2C1)[NH+](C)C ZINC001088010994 1190208762 /nfs/dbraw/zinc/20/87/62/1190208762.db2.gz UEKHDHRADAJCHL-OWCLPIDISA-N 2 2 363.510 0.875 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018578 1190231547 /nfs/dbraw/zinc/23/15/47/1190231547.db2.gz CVIQKLBEACFHNB-IKGGRYGDSA-N 2 2 369.473 0.518 20 0 FCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001088018578 1190231553 /nfs/dbraw/zinc/23/15/53/1190231553.db2.gz CVIQKLBEACFHNB-IKGGRYGDSA-N 2 2 369.473 0.518 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000984905773 1190249885 /nfs/dbraw/zinc/24/98/85/1190249885.db2.gz NWQRGGVXHBIHFE-JKSUJKDBSA-N 2 2 358.446 0.974 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1C(=O)Cn1cc[nH+]c1 ZINC000984914381 1190266524 /nfs/dbraw/zinc/26/65/24/1190266524.db2.gz LZULFHUMBAFHAJ-IXDOHACOSA-N 2 2 359.474 0.721 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001088042977 1190299961 /nfs/dbraw/zinc/29/99/61/1190299961.db2.gz RTLKTLAOEYTTCV-ZNMIVQPWSA-N 2 2 358.450 0.257 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001088042977 1190299964 /nfs/dbraw/zinc/29/99/64/1190299964.db2.gz RTLKTLAOEYTTCV-ZNMIVQPWSA-N 2 2 358.450 0.257 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088050043 1190309963 /nfs/dbraw/zinc/30/99/63/1190309963.db2.gz MTPDZXRRNJKIHH-CVEARBPZSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001088050043 1190309966 /nfs/dbraw/zinc/30/99/66/1190309966.db2.gz MTPDZXRRNJKIHH-CVEARBPZSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088063961 1190340558 /nfs/dbraw/zinc/34/05/58/1190340558.db2.gz DXONLKLBNUDZEH-CVEARBPZSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088063961 1190340563 /nfs/dbraw/zinc/34/05/63/1190340563.db2.gz DXONLKLBNUDZEH-CVEARBPZSA-N 2 2 360.506 0.970 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985086436 1190525724 /nfs/dbraw/zinc/52/57/24/1190525724.db2.gz HAOSTCAGGTYILX-GVDBMIGSSA-N 2 2 361.490 0.943 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985086436 1190525736 /nfs/dbraw/zinc/52/57/36/1190525736.db2.gz HAOSTCAGGTYILX-GVDBMIGSSA-N 2 2 361.490 0.943 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)n1 ZINC001088090525 1190538904 /nfs/dbraw/zinc/53/89/04/1190538904.db2.gz SSNZTKVQZCPSIR-SJORKVTESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)n1 ZINC001088090525 1190538917 /nfs/dbraw/zinc/53/89/17/1190538917.db2.gz SSNZTKVQZCPSIR-SJORKVTESA-N 2 2 360.506 0.920 20 0 FCADLP COc1cncc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)n1 ZINC001088121819 1190618184 /nfs/dbraw/zinc/61/81/84/1190618184.db2.gz ZIWBSTRXGKQNQO-KGLIPLIRSA-N 2 2 356.430 0.731 20 0 FCADLP COc1cncc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)n1 ZINC001088121819 1190618186 /nfs/dbraw/zinc/61/81/86/1190618186.db2.gz ZIWBSTRXGKQNQO-KGLIPLIRSA-N 2 2 356.430 0.731 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000985142595 1190631854 /nfs/dbraw/zinc/63/18/54/1190631854.db2.gz HDGWXQXHBJCOAU-JKSUJKDBSA-N 2 2 358.446 0.974 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985166629 1190660267 /nfs/dbraw/zinc/66/02/67/1190660267.db2.gz KZEZBRUZHSNLHL-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000985166629 1190660270 /nfs/dbraw/zinc/66/02/70/1190660270.db2.gz KZEZBRUZHSNLHL-BHYGNILZSA-N 2 2 361.490 0.800 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)CC[C@@H]3C2)CC1 ZINC001088150555 1190673824 /nfs/dbraw/zinc/67/38/24/1190673824.db2.gz KEAZPDRHRPCUSW-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)CC[C@@H]3C2)CC1 ZINC001088150555 1190673831 /nfs/dbraw/zinc/67/38/31/1190673831.db2.gz KEAZPDRHRPCUSW-SJORKVTESA-N 2 2 360.506 0.827 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088151436 1190676059 /nfs/dbraw/zinc/67/60/59/1190676059.db2.gz DRGGVXABVMOJCT-QLFBSQMISA-N 2 2 355.446 0.512 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088151436 1190676066 /nfs/dbraw/zinc/67/60/66/1190676066.db2.gz DRGGVXABVMOJCT-QLFBSQMISA-N 2 2 355.446 0.512 20 0 FCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)c1cccc[nH+]1 ZINC001271870835 1190738629 /nfs/dbraw/zinc/73/86/29/1190738629.db2.gz NVOHAPSPKNASHX-MQVJKMGUSA-N 2 2 359.474 0.718 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001088335697 1190752916 /nfs/dbraw/zinc/75/29/16/1190752916.db2.gz KTTJJFMQRHLDJT-FVQBIDKESA-N 2 2 365.478 0.958 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001088335697 1190752924 /nfs/dbraw/zinc/75/29/24/1190752924.db2.gz KTTJJFMQRHLDJT-FVQBIDKESA-N 2 2 365.478 0.958 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC000985665858 1190760764 /nfs/dbraw/zinc/76/07/64/1190760764.db2.gz YXEFPJJRZZUTJD-HZPDHXFCSA-N 2 2 357.462 0.738 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985665858 1190760767 /nfs/dbraw/zinc/76/07/67/1190760767.db2.gz YXEFPJJRZZUTJD-HZPDHXFCSA-N 2 2 357.462 0.738 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000985822500 1190822527 /nfs/dbraw/zinc/82/25/27/1190822527.db2.gz FGEBUSWBWOMANS-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP 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/nfs/dbraw/zinc/86/02/22/1193860222.db2.gz GHHNRWNAJUZFDM-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551493428 1193860226 /nfs/dbraw/zinc/86/02/26/1193860226.db2.gz GHHNRWNAJUZFDM-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551493428 1193860227 /nfs/dbraw/zinc/86/02/27/1193860227.db2.gz GHHNRWNAJUZFDM-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000551851970 1193874130 /nfs/dbraw/zinc/87/41/30/1193874130.db2.gz KSFLITPKRMRVIW-UHFFFAOYSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1CC(=O)N(C)C ZINC001088737428 1193876018 /nfs/dbraw/zinc/87/60/18/1193876018.db2.gz UGXSKHRSIRHGTC-HIFRSBDPSA-N 2 2 356.430 0.548 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1CC(=O)N(C)C ZINC001088737428 1193876020 /nfs/dbraw/zinc/87/60/20/1193876020.db2.gz UGXSKHRSIRHGTC-HIFRSBDPSA-N 2 2 356.430 0.548 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001075966998 1193885933 /nfs/dbraw/zinc/88/59/33/1193885933.db2.gz BNIJAMLHWAHJCZ-YESZJQIVSA-N 2 2 354.458 0.875 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001075966998 1193885934 /nfs/dbraw/zinc/88/59/34/1193885934.db2.gz BNIJAMLHWAHJCZ-YESZJQIVSA-N 2 2 354.458 0.875 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)no1 ZINC001075976261 1193890465 /nfs/dbraw/zinc/89/04/65/1193890465.db2.gz RRWGPFHROMZSFI-VBNZEHGJSA-N 2 2 361.446 0.161 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)no1 ZINC001075976261 1193890467 /nfs/dbraw/zinc/89/04/67/1193890467.db2.gz RRWGPFHROMZSFI-VBNZEHGJSA-N 2 2 361.446 0.161 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575541 1224176009 /nfs/dbraw/zinc/17/60/09/1224176009.db2.gz MNGZDIYPEVDIHL-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218575541 1224176015 /nfs/dbraw/zinc/17/60/15/1224176015.db2.gz MNGZDIYPEVDIHL-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576097 1224176529 /nfs/dbraw/zinc/17/65/29/1224176529.db2.gz VMDWICQXCQHYSR-IXDOHACOSA-N 2 2 366.506 0.284 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576097 1224176533 /nfs/dbraw/zinc/17/65/33/1224176533.db2.gz VMDWICQXCQHYSR-IXDOHACOSA-N 2 2 366.506 0.284 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083478157 1193925991 /nfs/dbraw/zinc/92/59/91/1193925991.db2.gz XQCLXHLOCGMQIT-ZACQAIPSSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001083478157 1193925992 /nfs/dbraw/zinc/92/59/92/1193925992.db2.gz XQCLXHLOCGMQIT-ZACQAIPSSA-N 2 2 362.474 0.492 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553024563 1193965223 /nfs/dbraw/zinc/96/52/23/1193965223.db2.gz HNWHXCOQMDJZET-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000553024563 1193965227 /nfs/dbraw/zinc/96/52/27/1193965227.db2.gz HNWHXCOQMDJZET-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218614797 1224182466 /nfs/dbraw/zinc/18/24/66/1224182466.db2.gz MBOBFCUVVOBYEU-HIFRSBDPSA-N 2 2 357.414 0.736 20 0 FCADLP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)ccn2)CC1 ZINC000553327674 1193988854 /nfs/dbraw/zinc/98/88/54/1193988854.db2.gz KQAWTTOMYSFWGX-MRXNPFEDSA-N 2 2 354.458 0.909 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105670103 1193998423 /nfs/dbraw/zinc/99/84/23/1193998423.db2.gz XTOPXPGJTPURBA-ZAWLATJESA-N 2 2 364.490 0.873 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000842194648 1194087647 /nfs/dbraw/zinc/08/76/47/1194087647.db2.gz SGXRXPRLWNCOMM-MRXNPFEDSA-N 2 2 373.501 0.706 20 0 FCADLP COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218661315 1224192325 /nfs/dbraw/zinc/19/23/25/1224192325.db2.gz UQCZHTIZVDWIME-UHFFFAOYSA-N 2 2 358.402 0.132 20 0 FCADLP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000842229370 1194109048 /nfs/dbraw/zinc/10/90/48/1194109048.db2.gz GWDFDCHFFAHGSK-SFHVURJKSA-N 2 2 374.485 0.127 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051448 1194269775 /nfs/dbraw/zinc/26/97/75/1194269775.db2.gz VMKBWZLVJFJNIZ-GRDNDAEWSA-N 2 2 359.474 0.429 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001076051448 1194269779 /nfs/dbraw/zinc/26/97/79/1194269779.db2.gz VMKBWZLVJFJNIZ-GRDNDAEWSA-N 2 2 359.474 0.429 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)Nc1ccc(O[C@@H]3CC[NH2+]C3)nc1)C[NH2+]C2 ZINC001218727511 1224206273 /nfs/dbraw/zinc/20/62/73/1224206273.db2.gz ZGKSOGDDFJCINE-CHWSQXEVSA-N 2 2 357.418 0.259 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)Nc2ccc(N3CCC([NH3+])CC3)nc2)CC[NH2+]1 ZINC001218723931 1224206546 /nfs/dbraw/zinc/20/65/46/1224206546.db2.gz AKZIYMYNDBNYFM-WFASDCNBSA-N 2 2 361.446 0.489 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076107301 1194309279 /nfs/dbraw/zinc/30/92/79/1194309279.db2.gz PPNVOKAAOWZBCF-CGTJXYLNSA-N 2 2 371.485 0.959 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174285 1194337547 /nfs/dbraw/zinc/33/75/47/1194337547.db2.gz GHRMLPGLRJEGMF-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174285 1194337549 /nfs/dbraw/zinc/33/75/49/1194337549.db2.gz GHRMLPGLRJEGMF-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174285 1194337555 /nfs/dbraw/zinc/33/75/55/1194337555.db2.gz GHRMLPGLRJEGMF-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)C1 ZINC001076174285 1194337557 /nfs/dbraw/zinc/33/75/57/1194337557.db2.gz GHRMLPGLRJEGMF-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnc2cc(C3CCOCC3)nn2c1 ZINC001218737149 1224209610 /nfs/dbraw/zinc/20/96/10/1224209610.db2.gz RJZGEYSFYZZBRH-UHFFFAOYSA-N 2 2 358.446 0.903 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001076245966 1194365933 /nfs/dbraw/zinc/36/59/33/1194365933.db2.gz YMVFTPDUFXWYOT-YQQAZPJKSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]31)C2 ZINC001076245966 1194365938 /nfs/dbraw/zinc/36/59/38/1194365938.db2.gz YMVFTPDUFXWYOT-YQQAZPJKSA-N 2 2 359.474 0.375 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]31)C2 ZINC001076245404 1194370808 /nfs/dbraw/zinc/37/08/08/1194370808.db2.gz ATVQEQKZEMIRMF-RLFYNMQTSA-N 2 2 369.473 0.615 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]31)C2 ZINC001076245404 1194370815 /nfs/dbraw/zinc/37/08/15/1194370815.db2.gz ATVQEQKZEMIRMF-RLFYNMQTSA-N 2 2 369.473 0.615 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244351 1194370883 /nfs/dbraw/zinc/37/08/83/1194370883.db2.gz PKJUMFNSIDIGDR-XYJFISCASA-N 2 2 371.485 0.519 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]31)C2 ZINC001076244351 1194370888 /nfs/dbraw/zinc/37/08/88/1194370888.db2.gz PKJUMFNSIDIGDR-XYJFISCASA-N 2 2 371.485 0.519 20 0 FCADLP NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218769319 1224216150 /nfs/dbraw/zinc/21/61/50/1224216150.db2.gz HCFFYRURSBEKDA-AGKHESDQSA-N 2 2 372.454 0.325 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076417747 1194466132 /nfs/dbraw/zinc/46/61/32/1194466132.db2.gz SBAHFFARCFBELU-CGTJXYLNSA-N 2 2 365.437 0.907 20 0 FCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001076417747 1194466140 /nfs/dbraw/zinc/46/61/40/1194466140.db2.gz SBAHFFARCFBELU-CGTJXYLNSA-N 2 2 365.437 0.907 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001076576462 1194583256 /nfs/dbraw/zinc/58/32/56/1194583256.db2.gz MOEFGKBGGVAUHH-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)[C@@H]3C2)on1 ZINC001076576462 1194583259 /nfs/dbraw/zinc/58/32/59/1194583259.db2.gz MOEFGKBGGVAUHH-UWWQBHOKSA-N 2 2 362.474 0.984 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218820188 1224232676 /nfs/dbraw/zinc/23/26/76/1224232676.db2.gz ZRTCTHBWXWXEOS-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218820188 1224232682 /nfs/dbraw/zinc/23/26/82/1224232682.db2.gz ZRTCTHBWXWXEOS-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874602 1224244971 /nfs/dbraw/zinc/24/49/71/1224244971.db2.gz ZQWUSXMGHIXNME-KRWDZBQOSA-N 2 2 358.446 0.033 20 0 FCADLP Cn1nc2c(c1C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1)C[NH2+]C2 ZINC001218884072 1224247430 /nfs/dbraw/zinc/24/74/30/1224247430.db2.gz OUJYWUSRQBAYHD-UHFFFAOYSA-N 2 2 354.414 0.321 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001076805464 1195025061 /nfs/dbraw/zinc/02/50/61/1195025061.db2.gz IVOBLVSARPNNTF-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001076805464 1195025064 /nfs/dbraw/zinc/02/50/64/1195025064.db2.gz IVOBLVSARPNNTF-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001076805464 1195025068 /nfs/dbraw/zinc/02/50/68/1195025068.db2.gz IVOBLVSARPNNTF-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP COc1ccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001076805464 1195025072 /nfs/dbraw/zinc/02/50/72/1195025072.db2.gz IVOBLVSARPNNTF-KZNAEPCWSA-N 2 2 363.458 0.330 20 0 FCADLP CCc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805877 1195026227 /nfs/dbraw/zinc/02/62/27/1195026227.db2.gz XNFPSFKDJFEFAT-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076805877 1195026233 /nfs/dbraw/zinc/02/62/33/1195026233.db2.gz XNFPSFKDJFEFAT-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805877 1195026236 /nfs/dbraw/zinc/02/62/36/1195026236.db2.gz XNFPSFKDJFEFAT-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP CCc1cccc(OCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001076805877 1195026241 /nfs/dbraw/zinc/02/62/41/1195026241.db2.gz XNFPSFKDJFEFAT-CEXWTWQISA-N 2 2 361.486 0.883 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001077007520 1195142468 /nfs/dbraw/zinc/14/24/68/1195142468.db2.gz PTLJXYGOLCEBLD-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001077007520 1195142469 /nfs/dbraw/zinc/14/24/69/1195142469.db2.gz PTLJXYGOLCEBLD-GVDBMIGSSA-N 2 2 360.458 0.093 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CCC1 ZINC001077217972 1195327067 /nfs/dbraw/zinc/32/70/67/1195327067.db2.gz LKVVZVWXZFKIIL-ZACQAIPSSA-N 2 2 364.490 0.903 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1)C1CCC1 ZINC001077217972 1195327072 /nfs/dbraw/zinc/32/70/72/1195327072.db2.gz LKVVZVWXZFKIIL-ZACQAIPSSA-N 2 2 364.490 0.903 20 0 FCADLP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)n1cc[nH+]c1 ZINC001691633621 1195343385 /nfs/dbraw/zinc/34/33/85/1195343385.db2.gz HDGIGZHSUGZJRS-HRCADAONSA-N 2 2 362.478 0.734 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971032 1224275312 /nfs/dbraw/zinc/27/53/12/1224275312.db2.gz RIOOTJRJTUVVCI-DLBZAZTESA-N 2 2 366.462 0.281 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971032 1224275314 /nfs/dbraw/zinc/27/53/14/1224275314.db2.gz RIOOTJRJTUVVCI-DLBZAZTESA-N 2 2 366.462 0.281 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259201 1195362574 /nfs/dbraw/zinc/36/25/74/1195362574.db2.gz KSFSAFZZCUJRCO-RCCFBDPRSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077259201 1195362581 /nfs/dbraw/zinc/36/25/81/1195362581.db2.gz KSFSAFZZCUJRCO-RCCFBDPRSA-N 2 2 354.454 0.850 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)no1 ZINC001077274907 1195375381 /nfs/dbraw/zinc/37/53/81/1195375381.db2.gz ISUVFPCQHOGYAP-KBRIMQKVSA-N 2 2 366.462 0.470 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)no1 ZINC001077274907 1195375387 /nfs/dbraw/zinc/37/53/87/1195375387.db2.gz ISUVFPCQHOGYAP-KBRIMQKVSA-N 2 2 366.462 0.470 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570847 1195382591 /nfs/dbraw/zinc/38/25/91/1195382591.db2.gz SBQVCUYCCHRASV-SJORKVTESA-N 2 2 371.441 0.350 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570847 1195382594 /nfs/dbraw/zinc/38/25/94/1195382594.db2.gz SBQVCUYCCHRASV-SJORKVTESA-N 2 2 371.441 0.350 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1=O ZINC001077310101 1195411958 /nfs/dbraw/zinc/41/19/58/1195411958.db2.gz WRIRBNBLJFJEGE-IXDOHACOSA-N 2 2 371.441 0.119 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)C1=O ZINC001077310101 1195411965 /nfs/dbraw/zinc/41/19/65/1195411965.db2.gz WRIRBNBLJFJEGE-IXDOHACOSA-N 2 2 371.441 0.119 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573724 1195448801 /nfs/dbraw/zinc/44/88/01/1195448801.db2.gz SIEBZWCQEOTQFP-ZACQAIPSSA-N 2 2 359.430 0.368 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573724 1195448805 /nfs/dbraw/zinc/44/88/05/1195448805.db2.gz SIEBZWCQEOTQFP-ZACQAIPSSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573724 1195448810 /nfs/dbraw/zinc/44/88/10/1195448810.db2.gz SIEBZWCQEOTQFP-ZACQAIPSSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]1O ZINC001083573724 1195448815 /nfs/dbraw/zinc/44/88/15/1195448815.db2.gz SIEBZWCQEOTQFP-ZACQAIPSSA-N 2 2 359.430 0.368 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001083573800 1195448836 /nfs/dbraw/zinc/44/88/36/1195448836.db2.gz VDOMSSRYQMKVDG-ZACQAIPSSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)[C@@H](O)C2)ccn1 ZINC001083573800 1195448843 /nfs/dbraw/zinc/44/88/43/1195448843.db2.gz VDOMSSRYQMKVDG-ZACQAIPSSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H](O)C2)ccn1 ZINC001083573800 1195448847 /nfs/dbraw/zinc/44/88/47/1195448847.db2.gz VDOMSSRYQMKVDG-ZACQAIPSSA-N 2 2 361.490 0.293 20 0 FCADLP CN(C)c1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)[C@@H](O)C2)ccn1 ZINC001083573800 1195448851 /nfs/dbraw/zinc/44/88/51/1195448851.db2.gz VDOMSSRYQMKVDG-ZACQAIPSSA-N 2 2 361.490 0.293 20 0 FCADLP COc1ccc(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392949 1195490296 /nfs/dbraw/zinc/49/02/96/1195490296.db2.gz YOHZFMMGTMSAIX-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1ccc(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392949 1195490305 /nfs/dbraw/zinc/49/03/05/1195490305.db2.gz YOHZFMMGTMSAIX-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077394727 1195491561 /nfs/dbraw/zinc/49/15/61/1195491561.db2.gz AMNSLWRTMUWCKK-QZTJIDSGSA-N 2 2 356.426 0.583 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001077394727 1195491568 /nfs/dbraw/zinc/49/15/68/1195491568.db2.gz AMNSLWRTMUWCKK-QZTJIDSGSA-N 2 2 356.426 0.583 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001077394921 1195491895 /nfs/dbraw/zinc/49/18/95/1195491895.db2.gz KNNKMDVUTWBYBW-RTBURBONSA-N 2 2 370.453 0.626 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001077394921 1195491901 /nfs/dbraw/zinc/49/19/01/1195491901.db2.gz KNNKMDVUTWBYBW-RTBURBONSA-N 2 2 370.453 0.626 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)c1ccccc1 ZINC001077395052 1195492001 /nfs/dbraw/zinc/49/20/01/1195492001.db2.gz QSJNUBFPLLNZFV-KURKYZTESA-N 2 2 358.442 0.741 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1)c1ccccc1 ZINC001077395052 1195492006 /nfs/dbraw/zinc/49/20/06/1195492006.db2.gz QSJNUBFPLLNZFV-KURKYZTESA-N 2 2 358.442 0.741 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583665 1195540047 /nfs/dbraw/zinc/54/00/47/1195540047.db2.gz NHWCCCPYKZAZAD-UHOSZYNNSA-N 2 2 354.454 0.850 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583665 1195540050 /nfs/dbraw/zinc/54/00/50/1195540050.db2.gz NHWCCCPYKZAZAD-UHOSZYNNSA-N 2 2 354.454 0.850 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)no1 ZINC001083590700 1195586203 /nfs/dbraw/zinc/58/62/03/1195586203.db2.gz RMOBBFNNGXDILC-XKQJLSEDSA-N 2 2 366.462 0.328 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@@H]2O)no1 ZINC001083590700 1195586208 /nfs/dbraw/zinc/58/62/08/1195586208.db2.gz RMOBBFNNGXDILC-XKQJLSEDSA-N 2 2 366.462 0.328 20 0 FCADLP O[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)CC1(O)CCCCC1 ZINC000905445998 1195586420 /nfs/dbraw/zinc/58/64/20/1195586420.db2.gz AWRQZTAQHSXCCO-RTBURBONSA-N 2 2 369.550 0.819 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[NH+]1CCN(C)CC1 ZINC000906644803 1195641939 /nfs/dbraw/zinc/64/19/39/1195641939.db2.gz PBTTWKQKBRTTML-KRWDZBQOSA-N 2 2 361.490 0.472 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839808 1195715403 /nfs/dbraw/zinc/71/54/03/1195715403.db2.gz OZZAKBYVZOPWFK-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839808 1195715406 /nfs/dbraw/zinc/71/54/06/1195715406.db2.gz OZZAKBYVZOPWFK-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839808 1195715408 /nfs/dbraw/zinc/71/54/08/1195715408.db2.gz OZZAKBYVZOPWFK-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000907839808 1195715410 /nfs/dbraw/zinc/71/54/10/1195715410.db2.gz OZZAKBYVZOPWFK-BBWFWOEESA-N 2 2 369.506 0.829 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000908119115 1195723297 /nfs/dbraw/zinc/72/32/97/1195723297.db2.gz PCMIUNHJYPUBGD-QGZVFWFLSA-N 2 2 364.490 0.397 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033690 1224305361 /nfs/dbraw/zinc/30/53/61/1224305361.db2.gz SCONIHHQLRUWBX-OWCLPIDISA-N 2 2 363.462 0.147 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033690 1224305369 /nfs/dbraw/zinc/30/53/69/1224305369.db2.gz SCONIHHQLRUWBX-OWCLPIDISA-N 2 2 363.462 0.147 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052136 1224321168 /nfs/dbraw/zinc/32/11/68/1224321168.db2.gz HRIOZFUHHCGJKY-HRCADAONSA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052136 1224321181 /nfs/dbraw/zinc/32/11/81/1224321181.db2.gz HRIOZFUHHCGJKY-HRCADAONSA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052136 1224321191 /nfs/dbraw/zinc/32/11/91/1224321191.db2.gz HRIOZFUHHCGJKY-HRCADAONSA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@@H]21 ZINC001219052136 1224321197 /nfs/dbraw/zinc/32/11/97/1224321197.db2.gz HRIOZFUHHCGJKY-HRCADAONSA-N 2 2 368.522 0.541 20 0 FCADLP NC(=O)c1cc(Oc2cccc(NC(=O)C3([NH3+])CC[NH2+]CC3)c2)ccn1 ZINC001219072790 1224338891 /nfs/dbraw/zinc/33/88/91/1224338891.db2.gz XVEDHRNNPTVDGG-UHFFFAOYSA-N 2 2 355.398 0.992 20 0 FCADLP NC(=O)C1CCN(c2ccccc2NC(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001219088244 1224348302 /nfs/dbraw/zinc/34/83/02/1224348302.db2.gz OVPNPGBNKNMINL-UHFFFAOYSA-N 2 2 359.474 0.668 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000592489011 1196564335 /nfs/dbraw/zinc/56/43/35/1196564335.db2.gz WLNPCCYQLGDUJF-GOSISDBHSA-N 2 2 368.570 0.339 20 0 FCADLP [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)c21 ZINC000592958670 1196600229 /nfs/dbraw/zinc/60/02/29/1196600229.db2.gz GFHFAZNBUDBTNH-CQSZACIVSA-N 2 2 373.461 0.500 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000761073508 1196731690 /nfs/dbraw/zinc/73/16/90/1196731690.db2.gz WBYYCKKSJQLCSN-KRWDZBQOSA-N 2 2 360.502 0.975 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000761073508 1196731698 /nfs/dbraw/zinc/73/16/98/1196731698.db2.gz WBYYCKKSJQLCSN-KRWDZBQOSA-N 2 2 360.502 0.975 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@@H+]1C ZINC000761080533 1196739231 /nfs/dbraw/zinc/73/92/31/1196739231.db2.gz WRIYYCJBWVFOCV-QGZVFWFLSA-N 2 2 372.513 0.902 20 0 FCADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@H+]1C ZINC000761080533 1196739235 /nfs/dbraw/zinc/73/92/35/1196739235.db2.gz WRIYYCJBWVFOCV-QGZVFWFLSA-N 2 2 372.513 0.902 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001088860663 1196805547 /nfs/dbraw/zinc/80/55/47/1196805547.db2.gz WMTHYGKRAJAHOY-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001088860663 1196805550 /nfs/dbraw/zinc/80/55/50/1196805550.db2.gz WMTHYGKRAJAHOY-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088860663 1196805551 /nfs/dbraw/zinc/80/55/51/1196805551.db2.gz WMTHYGKRAJAHOY-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(=O)N1CCOCC1 ZINC001088860663 1196805552 /nfs/dbraw/zinc/80/55/52/1196805552.db2.gz WMTHYGKRAJAHOY-CVEARBPZSA-N 2 2 366.506 0.156 20 0 FCADLP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106065113 1196821324 /nfs/dbraw/zinc/82/13/24/1196821324.db2.gz PZDAAPSSEZTVHW-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001089092241 1196896422 /nfs/dbraw/zinc/89/64/22/1196896422.db2.gz HJCLCFIZPHHQAT-CABCVRRESA-N 2 2 358.450 0.582 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC000992243129 1197030313 /nfs/dbraw/zinc/03/03/13/1197030313.db2.gz UWHONIKQEBYZMH-UOSKARGWSA-N 2 2 371.485 0.915 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC000992243129 1197030319 /nfs/dbraw/zinc/03/03/19/1197030319.db2.gz UWHONIKQEBYZMH-UOSKARGWSA-N 2 2 371.485 0.915 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)C2 ZINC000992318682 1197066205 /nfs/dbraw/zinc/06/62/05/1197066205.db2.gz NBZRTPKZLWSPQC-OSAQELSMSA-N 2 2 359.474 0.490 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)C2 ZINC000992318682 1197066210 /nfs/dbraw/zinc/06/62/10/1197066210.db2.gz NBZRTPKZLWSPQC-OSAQELSMSA-N 2 2 359.474 0.490 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C1)CC2 ZINC000992318682 1197066215 /nfs/dbraw/zinc/06/62/15/1197066215.db2.gz NBZRTPKZLWSPQC-OSAQELSMSA-N 2 2 359.474 0.490 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C1)CC2 ZINC000992318682 1197066220 /nfs/dbraw/zinc/06/62/20/1197066220.db2.gz NBZRTPKZLWSPQC-OSAQELSMSA-N 2 2 359.474 0.490 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001272460191 1197087933 /nfs/dbraw/zinc/08/79/33/1197087933.db2.gz VUQIKDNYVRQFKL-INIZCTEOSA-N 2 2 358.446 0.654 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001272460191 1197087937 /nfs/dbraw/zinc/08/79/37/1197087937.db2.gz VUQIKDNYVRQFKL-INIZCTEOSA-N 2 2 358.446 0.654 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000992406777 1197091490 /nfs/dbraw/zinc/09/14/90/1197091490.db2.gz MKBNZSSDMPVUSL-ZJIFWQFVSA-N 2 2 359.474 0.581 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000992406777 1197091494 /nfs/dbraw/zinc/09/14/94/1197091494.db2.gz MKBNZSSDMPVUSL-ZJIFWQFVSA-N 2 2 359.474 0.581 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000992417856 1197097876 /nfs/dbraw/zinc/09/78/76/1197097876.db2.gz UPROWYIZTWVFRZ-QDIHITRGSA-N 2 2 371.485 0.630 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC2(C1)CC[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001272467404 1197104414 /nfs/dbraw/zinc/10/44/14/1197104414.db2.gz NHMWGOWZEZQCTL-HNNXBMFYSA-N 2 2 357.414 0.252 20 0 FCADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC2(C1)CC[N@@H+](Cc1cccc(=O)[nH]1)C2 ZINC001272467404 1197104421 /nfs/dbraw/zinc/10/44/21/1197104421.db2.gz NHMWGOWZEZQCTL-HNNXBMFYSA-N 2 2 357.414 0.252 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000913684458 1197109033 /nfs/dbraw/zinc/10/90/33/1197109033.db2.gz WIWBHABKTUDEHP-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106153705 1197314844 /nfs/dbraw/zinc/31/48/44/1197314844.db2.gz PDBIITOJFIYWMB-HUUCEWRRSA-N 2 2 361.490 0.534 20 0 FCADLP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153668 1197315113 /nfs/dbraw/zinc/31/51/13/1197315113.db2.gz NKSRSHCZKFHXCH-HUUCEWRRSA-N 2 2 361.490 0.582 20 0 FCADLP Cc1cc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001106171506 1197325222 /nfs/dbraw/zinc/32/52/22/1197325222.db2.gz BICGZJQPELDCEN-QLFBSQMISA-N 2 2 365.478 0.517 20 0 FCADLP Cc1cc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C(C)C)[nH+]1 ZINC001106171506 1197325228 /nfs/dbraw/zinc/32/52/28/1197325228.db2.gz BICGZJQPELDCEN-QLFBSQMISA-N 2 2 365.478 0.517 20 0 FCADLP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001219262563 1224407329 /nfs/dbraw/zinc/40/73/29/1224407329.db2.gz ZEDHCINEYYGDFG-JSGCOSHPSA-N 2 2 359.430 0.479 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000992847918 1197551092 /nfs/dbraw/zinc/55/10/92/1197551092.db2.gz BBGGILWBICPJPC-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000992847918 1197551102 /nfs/dbraw/zinc/55/11/02/1197551102.db2.gz BBGGILWBICPJPC-YZVOILCLSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000992933056 1197610945 /nfs/dbraw/zinc/61/09/45/1197610945.db2.gz BBGGILWBICPJPC-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@@]3(C)C2)C1 ZINC000992933056 1197610949 /nfs/dbraw/zinc/61/09/49/1197610949.db2.gz BBGGILWBICPJPC-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]1CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000992963057 1197635186 /nfs/dbraw/zinc/63/51/86/1197635186.db2.gz SAEPRHPIHPESLJ-SYNHAJSKSA-N 2 2 371.485 0.601 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1)C1CC1 ZINC000993022082 1197684564 /nfs/dbraw/zinc/68/45/64/1197684564.db2.gz BGXMCRUTCPQIOC-LJHODMEESA-N 2 2 359.474 0.599 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085232200 1197720910 /nfs/dbraw/zinc/72/09/10/1197720910.db2.gz QLAULVWUKKRIIV-AAVRWANBSA-N 2 2 374.445 0.082 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085232200 1197720918 /nfs/dbraw/zinc/72/09/18/1197720918.db2.gz QLAULVWUKKRIIV-AAVRWANBSA-N 2 2 374.445 0.082 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001085242292 1197739827 /nfs/dbraw/zinc/73/98/27/1197739827.db2.gz LIEJGXCXNWBIFW-BZUAXINKSA-N 2 2 360.458 0.880 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085248591 1197745514 /nfs/dbraw/zinc/74/55/14/1197745514.db2.gz QGWNURQAEYRWSW-BPLDGKMQSA-N 2 2 358.450 0.186 20 0 FCADLP Cn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001085248339 1197746062 /nfs/dbraw/zinc/74/60/62/1197746062.db2.gz FZZBLHADSCGDDT-KBRIMQKVSA-N 2 2 357.462 0.791 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085250172 1197746911 /nfs/dbraw/zinc/74/69/11/1197746911.db2.gz IXNBPIAEYCROLC-NUEKZKHPSA-N 2 2 357.462 0.791 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723319 1197751392 /nfs/dbraw/zinc/75/13/92/1197751392.db2.gz FGLIJXXWBAEWPJ-IXDOHACOSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723319 1197751399 /nfs/dbraw/zinc/75/13/99/1197751399.db2.gz FGLIJXXWBAEWPJ-IXDOHACOSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723319 1197751416 /nfs/dbraw/zinc/75/14/16/1197751416.db2.gz FGLIJXXWBAEWPJ-IXDOHACOSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723319 1197751429 /nfs/dbraw/zinc/75/14/29/1197751429.db2.gz FGLIJXXWBAEWPJ-IXDOHACOSA-N 2 2 366.462 0.062 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)CC1 ZINC000993081602 1197803828 /nfs/dbraw/zinc/80/38/28/1197803828.db2.gz OSTWBITXPUNDTA-QFBILLFUSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000993085475 1197808140 /nfs/dbraw/zinc/80/81/40/1197808140.db2.gz MVEUMHLFJYIJJE-SQGPQFPESA-N 2 2 371.485 0.532 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725410 1197808167 /nfs/dbraw/zinc/80/81/67/1197808167.db2.gz CIKKFNFQXDFLTA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725410 1197808169 /nfs/dbraw/zinc/80/81/69/1197808169.db2.gz CIKKFNFQXDFLTA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725410 1197808176 /nfs/dbraw/zinc/80/81/76/1197808176.db2.gz CIKKFNFQXDFLTA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H](O)C2)c1 ZINC001083725410 1197808178 /nfs/dbraw/zinc/80/81/78/1197808178.db2.gz CIKKFNFQXDFLTA-SQNIBIBYSA-N 2 2 362.474 0.161 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)CC1 ZINC001085380723 1197854966 /nfs/dbraw/zinc/85/49/66/1197854966.db2.gz MRXOYZNUKUSVON-HZPDHXFCSA-N 2 2 363.510 0.848 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106309501 1197861367 /nfs/dbraw/zinc/86/13/67/1197861367.db2.gz VENOLVLJZYERHZ-NVXWUHKLSA-N 2 2 365.474 0.980 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1)C(N)=O ZINC001085391585 1197861315 /nfs/dbraw/zinc/86/13/15/1197861315.db2.gz MFVTZPRPFGBFGK-BPLDGKMQSA-N 2 2 356.430 0.772 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333277 1197868861 /nfs/dbraw/zinc/86/88/61/1197868861.db2.gz HILTXYAAHNMZMY-OWCLPIDISA-N 2 2 361.490 0.656 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333310 1197868954 /nfs/dbraw/zinc/86/89/54/1197868954.db2.gz IPTULTQMKTXRFA-OWCLPIDISA-N 2 2 361.490 0.608 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106342771 1197870788 /nfs/dbraw/zinc/87/07/88/1197870788.db2.gz CXKWUMXFKRADNK-IXDOHACOSA-N 2 2 364.490 0.793 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305024 1197973797 /nfs/dbraw/zinc/97/37/97/1197973797.db2.gz WULNYGOCXWILMU-OWCLPIDISA-N 2 2 367.538 0.957 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371305024 1197973799 /nfs/dbraw/zinc/97/37/99/1197973799.db2.gz WULNYGOCXWILMU-OWCLPIDISA-N 2 2 367.538 0.957 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106499394 1197976770 /nfs/dbraw/zinc/97/67/70/1197976770.db2.gz IBSUUZBKCXUGQG-ZACQAIPSSA-N 2 2 360.462 0.215 20 0 FCADLP CCn1cc(CC[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001085670969 1197978544 /nfs/dbraw/zinc/97/85/44/1197978544.db2.gz JRYWVTBZSZCACR-KBAYOESNSA-N 2 2 363.506 0.697 20 0 FCADLP CCn1cc(CC[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001085670969 1197978555 /nfs/dbraw/zinc/97/85/55/1197978555.db2.gz JRYWVTBZSZCACR-KBAYOESNSA-N 2 2 363.506 0.697 20 0 FCADLP CCn1cc(CC[NH+]2CC[C@@H]2CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001085670969 1197978562 /nfs/dbraw/zinc/97/85/62/1197978562.db2.gz JRYWVTBZSZCACR-KBAYOESNSA-N 2 2 363.506 0.697 20 0 FCADLP COC[C@]1(C)NC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110872 1197991045 /nfs/dbraw/zinc/99/10/45/1197991045.db2.gz JXLMCBYFDWVNRD-SFHVURJKSA-N 2 2 368.478 0.335 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000738208978 1197996030 /nfs/dbraw/zinc/99/60/30/1197996030.db2.gz MCSMPNNVWYJLJO-UHFFFAOYSA-N 3 2 367.494 0.003 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120442 1198179576 /nfs/dbraw/zinc/17/95/76/1198179576.db2.gz ZJZXXCBXZSUXJF-ARILJUKYSA-N 2 2 364.494 0.632 20 0 FCADLP CCc1nnc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120442 1198179601 /nfs/dbraw/zinc/17/96/01/1198179601.db2.gz ZJZXXCBXZSUXJF-ARILJUKYSA-N 2 2 364.494 0.632 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001086120185 1198180349 /nfs/dbraw/zinc/18/03/49/1198180349.db2.gz OLQOJZSLBQAKMM-RJZRQDKASA-N 2 2 362.478 0.386 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)C2)O1 ZINC001086120185 1198180383 /nfs/dbraw/zinc/18/03/83/1198180383.db2.gz OLQOJZSLBQAKMM-RJZRQDKASA-N 2 2 362.478 0.386 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086120718 1198181024 /nfs/dbraw/zinc/18/10/24/1198181024.db2.gz KMBHWNPXYAIEOP-APIJFGDWSA-N 2 2 365.478 0.897 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086120718 1198181026 /nfs/dbraw/zinc/18/10/26/1198181026.db2.gz KMBHWNPXYAIEOP-APIJFGDWSA-N 2 2 365.478 0.897 20 0 FCADLP C[C@@H](C(=O)N1CC[N@H+](Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273403292 1198203305 /nfs/dbraw/zinc/20/33/05/1198203305.db2.gz CEUNZCIMLQTLCW-KXBFYZLASA-N 2 2 361.490 0.648 20 0 FCADLP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccc[nH]2)C[C@@]2(CCCC(=O)N2)C1)[NH+](C)C ZINC001273403292 1198203336 /nfs/dbraw/zinc/20/33/36/1198203336.db2.gz CEUNZCIMLQTLCW-KXBFYZLASA-N 2 2 361.490 0.648 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001006295701 1198310216 /nfs/dbraw/zinc/31/02/16/1198310216.db2.gz UCAKFUFSESULIX-VQHPVUNQSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001006295701 1198310227 /nfs/dbraw/zinc/31/02/27/1198310227.db2.gz UCAKFUFSESULIX-VQHPVUNQSA-N 2 2 359.474 0.863 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219453116 1224474199 /nfs/dbraw/zinc/47/41/99/1224474199.db2.gz IBSWDYGESSQROG-MJEQTWJJSA-N 2 2 366.412 0.953 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219453119 1224475097 /nfs/dbraw/zinc/47/50/97/1224475097.db2.gz IBSWDYGESSQROG-XGWLTEMNSA-N 2 2 366.412 0.953 20 0 FCADLP O=C(Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219454852 1224475846 /nfs/dbraw/zinc/47/58/46/1224475846.db2.gz ZKEKSAXDFRRCCL-KSYCFECVSA-N 2 2 366.412 0.951 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400577 1198355039 /nfs/dbraw/zinc/35/50/39/1198355039.db2.gz NDRLFDZJBQCEQO-KLHDSHLOSA-N 2 2 364.494 0.392 20 0 FCADLP CCCn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400577 1198355046 /nfs/dbraw/zinc/35/50/46/1198355046.db2.gz NDRLFDZJBQCEQO-KLHDSHLOSA-N 2 2 364.494 0.392 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1C ZINC001086400425 1198355591 /nfs/dbraw/zinc/35/55/91/1198355591.db2.gz GVJIWJVDKJFSFQ-KBUPBQIOSA-N 2 2 364.494 0.081 20 0 FCADLP CCc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1C ZINC001086400425 1198355601 /nfs/dbraw/zinc/35/56/01/1198355601.db2.gz GVJIWJVDKJFSFQ-KBUPBQIOSA-N 2 2 364.494 0.081 20 0 FCADLP C[C@H](C(=O)N1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1)n1cc[nH+]c1 ZINC001273429092 1198358669 /nfs/dbraw/zinc/35/86/69/1198358669.db2.gz CPHQIRKCOCKVCX-ZRGWGRIASA-N 2 2 359.474 0.988 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001219552594 1224506118 /nfs/dbraw/zinc/50/61/18/1224506118.db2.gz FDISPOPCKSQNLQ-SJORKVTESA-N 2 2 358.442 0.973 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1O ZINC001219552594 1224506124 /nfs/dbraw/zinc/50/61/24/1224506124.db2.gz FDISPOPCKSQNLQ-SJORKVTESA-N 2 2 358.442 0.973 20 0 FCADLP CCn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086482785 1198955959 /nfs/dbraw/zinc/95/59/59/1198955959.db2.gz WBZODECUYBRTBI-RRCSTGOVSA-N 2 2 357.462 0.820 20 0 FCADLP CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001086482582 1198956150 /nfs/dbraw/zinc/95/61/50/1198956150.db2.gz MNDIENJCLZNIQW-OXGONZEZSA-N 2 2 359.474 0.629 20 0 FCADLP COC(=O)COc1c(C)cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000746364861 1199012531 /nfs/dbraw/zinc/01/25/31/1199012531.db2.gz SITKTDLPRZCOSE-UHFFFAOYSA-N 2 2 363.458 0.719 20 0 FCADLP COc1ccc(CN2CC[C@H](NC(=[NH2+])N3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168896099 1199038455 /nfs/dbraw/zinc/03/84/55/1199038455.db2.gz MENHCIMPMKWDLU-INIZCTEOSA-N 2 2 359.474 0.958 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nc(NC(=O)C(F)(F)F)cn2c1 ZINC001169073199 1199044958 /nfs/dbraw/zinc/04/49/58/1199044958.db2.gz CDSLIKXERRFGIZ-SECBINFHSA-N 2 2 368.319 0.883 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129337458 1199079197 /nfs/dbraw/zinc/07/91/97/1199079197.db2.gz IVXFHTICJSSTNI-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1n1ccnn1 ZINC001129337458 1199079205 /nfs/dbraw/zinc/07/92/05/1199079205.db2.gz IVXFHTICJSSTNI-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386067 1200110199 /nfs/dbraw/zinc/11/01/99/1200110199.db2.gz WYYSVHCXPFFJKI-UIZHIOIMSA-N 2 2 357.462 0.952 20 0 FCADLP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129386067 1200110200 /nfs/dbraw/zinc/11/02/00/1200110200.db2.gz WYYSVHCXPFFJKI-UIZHIOIMSA-N 2 2 357.462 0.952 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109295212 1200153752 /nfs/dbraw/zinc/15/37/52/1200153752.db2.gz ZZHZTZNLAQXCAI-BDXSIMOUSA-N 2 2 362.518 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109295212 1200153757 /nfs/dbraw/zinc/15/37/57/1200153757.db2.gz ZZHZTZNLAQXCAI-BDXSIMOUSA-N 2 2 362.518 0.822 20 0 FCADLP C[C@H](C(=O)NCc1ccco1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672909 1200459912 /nfs/dbraw/zinc/45/99/12/1200459912.db2.gz YJZBKXMSVRUNFJ-JHNDHUHGSA-N 2 2 362.474 0.958 20 0 FCADLP C[C@H](C(=O)NCc1ccco1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672909 1200459914 /nfs/dbraw/zinc/45/99/14/1200459914.db2.gz YJZBKXMSVRUNFJ-JHNDHUHGSA-N 2 2 362.474 0.958 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NCC[C@@H]1C[NH2+]Cc3cccn3C1)C[NH2+]C2 ZINC001219787644 1224613714 /nfs/dbraw/zinc/61/37/14/1224613714.db2.gz IREOSBHWVLIJFN-UKRRQHHQSA-N 2 2 357.462 0.212 20 0 FCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792450 1224614222 /nfs/dbraw/zinc/61/42/22/1224614222.db2.gz LGMLPDTZVLPGOJ-XHSDSOJGSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792450 1224614225 /nfs/dbraw/zinc/61/42/25/1224614225.db2.gz LGMLPDTZVLPGOJ-XHSDSOJGSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792450 1224614228 /nfs/dbraw/zinc/61/42/28/1224614228.db2.gz LGMLPDTZVLPGOJ-XHSDSOJGSA-N 2 2 368.522 0.040 20 0 FCADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001219792450 1224614231 /nfs/dbraw/zinc/61/42/31/1224614231.db2.gz LGMLPDTZVLPGOJ-XHSDSOJGSA-N 2 2 368.522 0.040 20 0 FCADLP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847769 1200560694 /nfs/dbraw/zinc/56/06/94/1200560694.db2.gz GMDYZJQXYUUMBS-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109847769 1200560700 /nfs/dbraw/zinc/56/07/00/1200560700.db2.gz GMDYZJQXYUUMBS-QZWWFDLISA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798131 1224618591 /nfs/dbraw/zinc/61/85/91/1224618591.db2.gz FTXFWXJBACDABG-XHSDSOJGSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798131 1224618593 /nfs/dbraw/zinc/61/85/93/1224618593.db2.gz FTXFWXJBACDABG-XHSDSOJGSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878174 1200586922 /nfs/dbraw/zinc/58/69/22/1200586922.db2.gz KBSIVODSAARKFD-XGUBFFRZSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878174 1200586925 /nfs/dbraw/zinc/58/69/25/1200586925.db2.gz KBSIVODSAARKFD-XGUBFFRZSA-N 2 2 365.478 0.023 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928425 1200615017 /nfs/dbraw/zinc/61/50/17/1200615017.db2.gz VNCNBCBHJVCNHL-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928425 1200615020 /nfs/dbraw/zinc/61/50/20/1200615020.db2.gz VNCNBCBHJVCNHL-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928425 1200615023 /nfs/dbraw/zinc/61/50/23/1200615023.db2.gz VNCNBCBHJVCNHL-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928425 1200615026 /nfs/dbraw/zinc/61/50/26/1200615026.db2.gz VNCNBCBHJVCNHL-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800683 1224621817 /nfs/dbraw/zinc/62/18/17/1224621817.db2.gz SEMXPEUZRXKKST-QRVBRYPASA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800683 1224621821 /nfs/dbraw/zinc/62/18/21/1224621821.db2.gz SEMXPEUZRXKKST-QRVBRYPASA-N 2 2 371.485 0.483 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970181 1200650375 /nfs/dbraw/zinc/65/03/75/1200650375.db2.gz QXCGHZWKFYNDTH-WCZJQEMASA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970181 1200650381 /nfs/dbraw/zinc/65/03/81/1200650381.db2.gz QXCGHZWKFYNDTH-WCZJQEMASA-N 2 2 371.441 0.610 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NCC1CCC1 ZINC001109981400 1200667378 /nfs/dbraw/zinc/66/73/78/1200667378.db2.gz RMBNSZLMUFYBHP-IKGGRYGDSA-N 2 2 360.502 0.720 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)NCC1CCC1 ZINC001109981400 1200667386 /nfs/dbraw/zinc/66/73/86/1200667386.db2.gz RMBNSZLMUFYBHP-IKGGRYGDSA-N 2 2 360.502 0.720 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001109982684 1200675995 /nfs/dbraw/zinc/67/59/95/1200675995.db2.gz NWUWVBOODKOBTJ-SIXLDLHFSA-N 2 2 360.502 0.718 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001109982684 1200676005 /nfs/dbraw/zinc/67/60/05/1200676005.db2.gz NWUWVBOODKOBTJ-SIXLDLHFSA-N 2 2 360.502 0.718 20 0 FCADLP CCN(C)C(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570305 1200803008 /nfs/dbraw/zinc/80/30/08/1200803008.db2.gz PVPOFZRRESTFJR-KXBFYZLASA-N 2 2 361.490 0.957 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816080 1224633501 /nfs/dbraw/zinc/63/35/01/1224633501.db2.gz XVAGCHZOAQMXPU-UAGQMJEPSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816080 1224633508 /nfs/dbraw/zinc/63/35/08/1224633508.db2.gz XVAGCHZOAQMXPU-UAGQMJEPSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816080 1224633512 /nfs/dbraw/zinc/63/35/12/1224633512.db2.gz XVAGCHZOAQMXPU-UAGQMJEPSA-N 2 2 368.522 0.183 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816080 1224633516 /nfs/dbraw/zinc/63/35/16/1224633516.db2.gz XVAGCHZOAQMXPU-UAGQMJEPSA-N 2 2 368.522 0.183 20 0 FCADLP CN(C(=O)C(=O)NCc1cccn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000788335518 1200950143 /nfs/dbraw/zinc/95/01/43/1200950143.db2.gz MJDMBLSNTNNUJT-KRWDZBQOSA-N 2 2 361.490 0.268 20 0 FCADLP CN(C(=O)C(=O)NCc1cccn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000788335518 1200950155 /nfs/dbraw/zinc/95/01/55/1200950155.db2.gz MJDMBLSNTNNUJT-KRWDZBQOSA-N 2 2 361.490 0.268 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829965 1224642373 /nfs/dbraw/zinc/64/23/73/1224642373.db2.gz JZTHOIIYBNORFF-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219829965 1224642376 /nfs/dbraw/zinc/64/23/76/1224642376.db2.gz JZTHOIIYBNORFF-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219829965 1224642380 /nfs/dbraw/zinc/64/23/80/1224642380.db2.gz JZTHOIIYBNORFF-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219829965 1224642384 /nfs/dbraw/zinc/64/23/84/1224642384.db2.gz JZTHOIIYBNORFF-BBWFWOEESA-N 2 2 362.474 0.626 20 0 FCADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000788915152 1200982389 /nfs/dbraw/zinc/98/23/89/1200982389.db2.gz JGCVYTHVKSWNJW-HNNXBMFYSA-N 2 2 365.478 0.211 20 0 FCADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000788915152 1200982394 /nfs/dbraw/zinc/98/23/94/1200982394.db2.gz JGCVYTHVKSWNJW-HNNXBMFYSA-N 2 2 365.478 0.211 20 0 FCADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361493 1201067599 /nfs/dbraw/zinc/06/75/99/1201067599.db2.gz BYPBUTJLAAJGFB-CHWSQXEVSA-N 2 2 362.482 0.537 20 0 FCADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnnn1C1CC1 ZINC000790361493 1201067610 /nfs/dbraw/zinc/06/76/10/1201067610.db2.gz BYPBUTJLAAJGFB-CHWSQXEVSA-N 2 2 362.482 0.537 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1O)[NH+](C)C ZINC001090457359 1201161490 /nfs/dbraw/zinc/16/14/90/1201161490.db2.gz RCEGTLMZBSYTMN-BRWVUGGUSA-N 2 2 361.490 0.670 20 0 FCADLP CN(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000792208322 1201178798 /nfs/dbraw/zinc/17/87/98/1201178798.db2.gz FAHWNRAZNHREEU-UHFFFAOYSA-N 2 2 361.490 0.787 20 0 FCADLP CCO[C@@H](C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CC1 ZINC001219864315 1224661024 /nfs/dbraw/zinc/66/10/24/1224661024.db2.gz NEEFAUNWVHSXSC-IKGGRYGDSA-N 2 2 364.490 0.903 20 0 FCADLP CCO[C@@H](C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1)C1CC1 ZINC001219864315 1224661026 /nfs/dbraw/zinc/66/10/26/1224661026.db2.gz NEEFAUNWVHSXSC-IKGGRYGDSA-N 2 2 364.490 0.903 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001110101620 1201265844 /nfs/dbraw/zinc/26/58/44/1201265844.db2.gz WZWGDWDJGSWOST-JHNDHUHGSA-N 2 2 360.458 0.569 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001110101620 1201265850 /nfs/dbraw/zinc/26/58/50/1201265850.db2.gz WZWGDWDJGSWOST-JHNDHUHGSA-N 2 2 360.458 0.569 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)C1 ZINC001110101620 1201265857 /nfs/dbraw/zinc/26/58/57/1201265857.db2.gz WZWGDWDJGSWOST-JHNDHUHGSA-N 2 2 360.458 0.569 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)C1 ZINC001110101620 1201265871 /nfs/dbraw/zinc/26/58/71/1201265871.db2.gz WZWGDWDJGSWOST-JHNDHUHGSA-N 2 2 360.458 0.569 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129407196 1201297414 /nfs/dbraw/zinc/29/74/14/1201297414.db2.gz IARXITVUXLNIDP-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129407196 1201297420 /nfs/dbraw/zinc/29/74/20/1201297420.db2.gz IARXITVUXLNIDP-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129407196 1201297425 /nfs/dbraw/zinc/29/74/25/1201297425.db2.gz IARXITVUXLNIDP-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1n1ccnn1 ZINC001129407196 1201297430 /nfs/dbraw/zinc/29/74/30/1201297430.db2.gz IARXITVUXLNIDP-CABCVRRESA-N 2 2 361.450 0.458 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001129887491 1201413015 /nfs/dbraw/zinc/41/30/15/1201413015.db2.gz BMBCIZBLTUGUDG-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001129887491 1201413019 /nfs/dbraw/zinc/41/30/19/1201413019.db2.gz BMBCIZBLTUGUDG-CVEARBPZSA-N 2 2 361.450 0.402 20 0 FCADLP CC(C)C[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)n1cc[nH+]c1 ZINC001129902414 1201434148 /nfs/dbraw/zinc/43/41/48/1201434148.db2.gz JYFAOJHAAQROPI-PMPSAXMXSA-N 2 2 361.450 0.096 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001086626305 1201447349 /nfs/dbraw/zinc/44/73/49/1201447349.db2.gz GPKWAGMPNCCMJB-KSZLIROESA-N 2 2 367.453 0.698 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001086626305 1201447351 /nfs/dbraw/zinc/44/73/51/1201447351.db2.gz GPKWAGMPNCCMJB-KSZLIROESA-N 2 2 367.453 0.698 20 0 FCADLP COCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130150818 1201516345 /nfs/dbraw/zinc/51/63/45/1201516345.db2.gz ARVLQZAUHOYRLZ-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130159023 1201519875 /nfs/dbraw/zinc/51/98/75/1201519875.db2.gz YFULRKJNIFOVGG-CVEARBPZSA-N 2 2 361.450 0.333 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)NCc1cccnc1C1CC[NH2+]CC1)C[NH2+]C2 ZINC001219928989 1224685521 /nfs/dbraw/zinc/68/55/21/1224685521.db2.gz AEOVHXQNXJBQQX-OAHLLOKOSA-N 2 2 369.473 0.663 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130237976 1201560738 /nfs/dbraw/zinc/56/07/38/1201560738.db2.gz NCVPIHKSQBHYHK-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130237976 1201560740 /nfs/dbraw/zinc/56/07/40/1201560740.db2.gz NCVPIHKSQBHYHK-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130237976 1201560744 /nfs/dbraw/zinc/56/07/44/1201560744.db2.gz NCVPIHKSQBHYHK-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130237976 1201560748 /nfs/dbraw/zinc/56/07/48/1201560748.db2.gz NCVPIHKSQBHYHK-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016117 1224728739 /nfs/dbraw/zinc/72/87/39/1224728739.db2.gz KQYDGVMLVYMFDH-AEFFLSMTSA-N 2 2 364.490 0.596 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001220016117 1224728741 /nfs/dbraw/zinc/72/87/41/1224728741.db2.gz KQYDGVMLVYMFDH-AEFFLSMTSA-N 2 2 364.490 0.596 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220018119 1224728987 /nfs/dbraw/zinc/72/89/87/1224728987.db2.gz ZHUBPRCMTVGIPR-AEFFLSMTSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220018119 1224728990 /nfs/dbraw/zinc/72/89/90/1224728990.db2.gz ZHUBPRCMTVGIPR-AEFFLSMTSA-N 2 2 362.474 0.350 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)c1ncccn1 ZINC001130669240 1202750982 /nfs/dbraw/zinc/75/09/82/1202750982.db2.gz BEXZLNUNLAFBCW-HLLBOEOZSA-N 2 2 371.489 0.807 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+]Cc2ncccn2)c1 ZINC001130669684 1202751668 /nfs/dbraw/zinc/75/16/68/1202751668.db2.gz IORNKALREHCNOJ-GOEBONIOSA-N 2 2 357.462 0.246 20 0 FCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130698993 1202757839 /nfs/dbraw/zinc/75/78/39/1202757839.db2.gz YADLNLYWSAUIOB-OFQRWUPVSA-N 2 2 360.462 0.431 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001130739670 1202770880 /nfs/dbraw/zinc/77/08/80/1202770880.db2.gz JLDWADFFRLJQTP-HLLBOEOZSA-N 2 2 360.462 0.362 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130794000 1202795260 /nfs/dbraw/zinc/79/52/60/1202795260.db2.gz HEHOMRUAAMPSTH-QWHCGFSZSA-N 2 2 365.413 0.487 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073979 1224746337 /nfs/dbraw/zinc/74/63/37/1224746337.db2.gz SBRNQSJAVVRJTR-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073979 1224746341 /nfs/dbraw/zinc/74/63/41/1224746341.db2.gz SBRNQSJAVVRJTR-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073979 1224746348 /nfs/dbraw/zinc/74/63/48/1224746348.db2.gz SBRNQSJAVVRJTR-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073979 1224746349 /nfs/dbraw/zinc/74/63/49/1224746349.db2.gz SBRNQSJAVVRJTR-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O)C1CCCCC1 ZINC001220074041 1224746417 /nfs/dbraw/zinc/74/64/17/1224746417.db2.gz UYMVXPGNISQTJC-SJORKVTESA-N 2 2 366.506 0.081 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@@H]1O)C1CCCCC1 ZINC001220074041 1224746422 /nfs/dbraw/zinc/74/64/22/1224746422.db2.gz UYMVXPGNISQTJC-SJORKVTESA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O)C1CCCCC1 ZINC001220074041 1224746430 /nfs/dbraw/zinc/74/64/30/1224746430.db2.gz UYMVXPGNISQTJC-SJORKVTESA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O)C1CCCCC1 ZINC001220074041 1224746439 /nfs/dbraw/zinc/74/64/39/1224746439.db2.gz UYMVXPGNISQTJC-SJORKVTESA-N 2 2 366.506 0.081 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809138 1202802083 /nfs/dbraw/zinc/80/20/83/1202802083.db2.gz IRUAKPXQQVOXRF-SOUVJXGZSA-N 2 2 364.494 0.981 20 0 FCADLP CC(C)[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+]3CC[C@H](C)C3)n2)O1 ZINC001130809138 1202802085 /nfs/dbraw/zinc/80/20/85/1202802085.db2.gz IRUAKPXQQVOXRF-SOUVJXGZSA-N 2 2 364.494 0.981 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678879 1202813083 /nfs/dbraw/zinc/81/30/83/1202813083.db2.gz ZJFRTDQYOQZUIT-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678879 1202813086 /nfs/dbraw/zinc/81/30/86/1202813086.db2.gz ZJFRTDQYOQZUIT-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678879 1202813089 /nfs/dbraw/zinc/81/30/89/1202813089.db2.gz ZJFRTDQYOQZUIT-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678879 1202813091 /nfs/dbraw/zinc/81/30/91/1202813091.db2.gz ZJFRTDQYOQZUIT-BXWFABGCSA-N 2 2 366.506 0.204 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001131107842 1202864042 /nfs/dbraw/zinc/86/40/42/1202864042.db2.gz CFFDEPTVADDGPG-NUEKZKHPSA-N 2 2 360.462 0.315 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001131117482 1202865141 /nfs/dbraw/zinc/86/51/41/1202865141.db2.gz ADEJPIZTLXHQRG-JGGQBBKZSA-N 2 2 360.462 0.613 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001131599777 1202919480 /nfs/dbraw/zinc/91/94/80/1202919480.db2.gz LKOCRYSJBQHSJN-MJGOQNOKSA-N 2 2 364.490 0.985 20 0 FCADLP O=C(NCC[NH2+]CCC[C@H]1CCOC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613538 1202921641 /nfs/dbraw/zinc/92/16/41/1202921641.db2.gz FGLREBKYPBXHJV-KSZLIROESA-N 2 2 369.506 0.389 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045731 1203010671 /nfs/dbraw/zinc/01/06/71/1203010671.db2.gz OGXNEVYPCCYGPE-RBSFLKMASA-N 2 2 365.478 0.161 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001134045413 1203010745 /nfs/dbraw/zinc/01/07/45/1203010745.db2.gz FLYGYHYEQQCYPP-HUUCEWRRSA-N 2 2 357.414 0.574 20 0 FCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]cn1 ZINC001170779781 1203032734 /nfs/dbraw/zinc/03/27/34/1203032734.db2.gz QXEGMXNKZZENOX-YOEHRIQHSA-N 2 2 372.448 0.935 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000815862250 1203055868 /nfs/dbraw/zinc/05/58/68/1203055868.db2.gz USYQZFIUUFTVGY-IYBDPMFKSA-N 2 2 373.501 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC000815862250 1203055870 /nfs/dbraw/zinc/05/58/70/1203055870.db2.gz USYQZFIUUFTVGY-IYBDPMFKSA-N 2 2 373.501 0.928 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086731901 1203056305 /nfs/dbraw/zinc/05/63/05/1203056305.db2.gz JARIXEIKGGGPBS-LXTVHRRPSA-N 2 2 365.478 0.726 20 0 FCADLP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086731901 1203056306 /nfs/dbraw/zinc/05/63/06/1203056306.db2.gz JARIXEIKGGGPBS-LXTVHRRPSA-N 2 2 365.478 0.726 20 0 FCADLP Cn1cnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736326 1203062569 /nfs/dbraw/zinc/06/25/69/1203062569.db2.gz LRGZQAMUHBFUAO-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086738999 1203064834 /nfs/dbraw/zinc/06/48/34/1203064834.db2.gz CWNJDVLDGVSUCH-QWHCGFSZSA-N 2 2 361.450 0.553 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001220103774 1224763517 /nfs/dbraw/zinc/76/35/17/1224763517.db2.gz IBTSJKOZJHJYAN-SJORKVTESA-N 2 2 364.396 0.955 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)C[C@@H]1O ZINC001220103774 1224763522 /nfs/dbraw/zinc/76/35/22/1224763522.db2.gz IBTSJKOZJHJYAN-SJORKVTESA-N 2 2 364.396 0.955 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)o1 ZINC001086785021 1203092256 /nfs/dbraw/zinc/09/22/56/1203092256.db2.gz GIRFAXJQTGONAC-XHSDSOJGSA-N 2 2 365.478 0.862 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)o1 ZINC001086785021 1203092258 /nfs/dbraw/zinc/09/22/58/1203092258.db2.gz GIRFAXJQTGONAC-XHSDSOJGSA-N 2 2 365.478 0.862 20 0 FCADLP CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000818341299 1203138129 /nfs/dbraw/zinc/13/81/29/1203138129.db2.gz YWEDNFKHIOMEDY-CLCXKQKWSA-N 2 2 373.457 0.734 20 0 FCADLP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c1 ZINC001220120669 1224776767 /nfs/dbraw/zinc/77/67/67/1224776767.db2.gz LPMITBHCAIGDGG-ZDUSSCGKSA-N 2 2 358.402 0.691 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C)[NH+](C)C ZINC001090742514 1203280492 /nfs/dbraw/zinc/28/04/92/1203280492.db2.gz JNJHMDBXTMOKDQ-KBRIMQKVSA-N 2 2 360.506 0.746 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C)[NH+](C)C ZINC001090742514 1203280498 /nfs/dbraw/zinc/28/04/98/1203280498.db2.gz JNJHMDBXTMOKDQ-KBRIMQKVSA-N 2 2 360.506 0.746 20 0 FCADLP O=C(CO[C@@H]1CCC[NH2+]C1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000844168200 1203337667 /nfs/dbraw/zinc/33/76/67/1203337667.db2.gz PSWLMYVQECTHQK-GOSISDBHSA-N 2 2 374.485 0.974 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203828 1224802055 /nfs/dbraw/zinc/80/20/55/1224802055.db2.gz RJTFDVZZTQWCND-XHSDSOJGSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203828 1224802058 /nfs/dbraw/zinc/80/20/58/1224802058.db2.gz RJTFDVZZTQWCND-XHSDSOJGSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203828 1224802062 /nfs/dbraw/zinc/80/20/62/1224802062.db2.gz RJTFDVZZTQWCND-XHSDSOJGSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203828 1224802063 /nfs/dbraw/zinc/80/20/63/1224802063.db2.gz RJTFDVZZTQWCND-XHSDSOJGSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203766 1224802331 /nfs/dbraw/zinc/80/23/31/1224802331.db2.gz POAMFVNWZJGJGG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203766 1224802334 /nfs/dbraw/zinc/80/23/34/1224802334.db2.gz POAMFVNWZJGJGG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203766 1224802336 /nfs/dbraw/zinc/80/23/36/1224802336.db2.gz POAMFVNWZJGJGG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]2O)C1 ZINC001220203766 1224802341 /nfs/dbraw/zinc/80/23/41/1224802341.db2.gz POAMFVNWZJGJGG-BBWFWOEESA-N 2 2 368.522 0.137 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224428 1224808111 /nfs/dbraw/zinc/80/81/11/1224808111.db2.gz MULHWZHXMGXFFJ-JQHSSLGASA-N 2 2 364.490 0.732 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001220224428 1224808112 /nfs/dbraw/zinc/80/81/12/1224808112.db2.gz MULHWZHXMGXFFJ-JQHSSLGASA-N 2 2 364.490 0.732 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237874 1224812398 /nfs/dbraw/zinc/81/23/98/1224812398.db2.gz GTMWRNNCTGZVHP-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237874 1224812399 /nfs/dbraw/zinc/81/23/99/1224812399.db2.gz GTMWRNNCTGZVHP-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@@H]1O ZINC001220277111 1224819525 /nfs/dbraw/zinc/81/95/25/1224819525.db2.gz QTXYPGNWUHRIKR-ZACQAIPSSA-N 2 2 360.458 0.053 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@@H]1O ZINC001220277111 1224819528 /nfs/dbraw/zinc/81/95/28/1224819528.db2.gz QTXYPGNWUHRIKR-ZACQAIPSSA-N 2 2 360.458 0.053 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC001091175882 1204571319 /nfs/dbraw/zinc/57/13/19/1204571319.db2.gz WLJHPVWEPJDVFZ-SJORKVTESA-N 2 2 361.490 0.671 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000846356595 1204620101 /nfs/dbraw/zinc/62/01/01/1204620101.db2.gz HRJOYERNROOIFO-QZTJIDSGSA-N 2 2 358.486 0.569 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000846356595 1204620110 /nfs/dbraw/zinc/62/01/10/1204620110.db2.gz HRJOYERNROOIFO-QZTJIDSGSA-N 2 2 358.486 0.569 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1O)C2 ZINC001220357707 1224842067 /nfs/dbraw/zinc/84/20/67/1224842067.db2.gz PNOKWOGTDHFFKW-NXHRZFHOSA-N 2 2 364.490 0.588 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(C)C)C[C@@H]1O)C2 ZINC001220357707 1224842069 /nfs/dbraw/zinc/84/20/69/1224842069.db2.gz PNOKWOGTDHFFKW-NXHRZFHOSA-N 2 2 364.490 0.588 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)C1 ZINC001220358669 1224842539 /nfs/dbraw/zinc/84/25/39/1224842539.db2.gz WBRSVJMGMSSQKY-WCXIOVBPSA-N 3 2 360.458 0.251 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855807 1204669879 /nfs/dbraw/zinc/66/98/79/1204669879.db2.gz LQCAOBCTJJORFF-HOTGVXAUSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855807 1204669888 /nfs/dbraw/zinc/66/98/88/1204669888.db2.gz LQCAOBCTJJORFF-HOTGVXAUSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855807 1204669892 /nfs/dbraw/zinc/66/98/92/1204669892.db2.gz LQCAOBCTJJORFF-HOTGVXAUSA-N 2 2 362.474 0.459 20 0 FCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000846855807 1204669896 /nfs/dbraw/zinc/66/98/96/1204669896.db2.gz LQCAOBCTJJORFF-HOTGVXAUSA-N 2 2 362.474 0.459 20 0 FCADLP COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846878284 1204670335 /nfs/dbraw/zinc/67/03/35/1204670335.db2.gz OXWBYWHHRDZUHR-CQSZACIVSA-N 2 2 362.430 0.989 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544231 1204708053 /nfs/dbraw/zinc/70/80/53/1204708053.db2.gz XCNUFTMZGYAXLV-GLJUWKHASA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@]3(C)C2)n1 ZINC001091544231 1204708058 /nfs/dbraw/zinc/70/80/58/1204708058.db2.gz XCNUFTMZGYAXLV-GLJUWKHASA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@]3(C)C2)n1 ZINC001091544231 1204708062 /nfs/dbraw/zinc/70/80/62/1204708062.db2.gz XCNUFTMZGYAXLV-GLJUWKHASA-N 2 2 363.462 0.591 20 0 FCADLP COCc1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@]3(C)C2)n1 ZINC001091544231 1204708068 /nfs/dbraw/zinc/70/80/68/1204708068.db2.gz XCNUFTMZGYAXLV-GLJUWKHASA-N 2 2 363.462 0.591 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369708 1224846362 /nfs/dbraw/zinc/84/63/62/1224846362.db2.gz OHDOGPGZKIJBHS-KFWWJZLASA-N 2 2 370.538 0.429 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369708 1224846367 /nfs/dbraw/zinc/84/63/67/1224846367.db2.gz OHDOGPGZKIJBHS-KFWWJZLASA-N 2 2 370.538 0.429 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369708 1224846370 /nfs/dbraw/zinc/84/63/70/1224846370.db2.gz OHDOGPGZKIJBHS-KFWWJZLASA-N 2 2 370.538 0.429 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369708 1224846373 /nfs/dbraw/zinc/84/63/73/1224846373.db2.gz OHDOGPGZKIJBHS-KFWWJZLASA-N 2 2 370.538 0.429 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565448 1204725833 /nfs/dbraw/zinc/72/58/33/1204725833.db2.gz PMARSUZKHXXWKI-MDZRGWNJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565448 1204725839 /nfs/dbraw/zinc/72/58/39/1204725839.db2.gz PMARSUZKHXXWKI-MDZRGWNJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565448 1204725847 /nfs/dbraw/zinc/72/58/47/1204725847.db2.gz PMARSUZKHXXWKI-MDZRGWNJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)oc1C ZINC001091565448 1204725853 /nfs/dbraw/zinc/72/58/53/1204725853.db2.gz PMARSUZKHXXWKI-MDZRGWNJSA-N 2 2 362.474 0.902 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565712 1204726059 /nfs/dbraw/zinc/72/60/59/1204726059.db2.gz VZWONKQDRDPZQK-LJHODMEESA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565712 1204726063 /nfs/dbraw/zinc/72/60/63/1204726063.db2.gz VZWONKQDRDPZQK-LJHODMEESA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565712 1204726068 /nfs/dbraw/zinc/72/60/68/1204726068.db2.gz VZWONKQDRDPZQK-LJHODMEESA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(F)cn4)C[C@@]3(C)C2)C1 ZINC001091565712 1204726074 /nfs/dbraw/zinc/72/60/74/1204726074.db2.gz VZWONKQDRDPZQK-LJHODMEESA-N 2 2 362.449 0.832 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565653 1204726611 /nfs/dbraw/zinc/72/66/11/1204726611.db2.gz USQSWHCDBPCPDW-SUMDDJOVSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565653 1204726616 /nfs/dbraw/zinc/72/66/16/1204726616.db2.gz USQSWHCDBPCPDW-SUMDDJOVSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565653 1204726623 /nfs/dbraw/zinc/72/66/23/1204726623.db2.gz USQSWHCDBPCPDW-SUMDDJOVSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)nn1C ZINC001091565653 1204726626 /nfs/dbraw/zinc/72/66/26/1204726626.db2.gz USQSWHCDBPCPDW-SUMDDJOVSA-N 2 2 361.490 0.339 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565730 1204727747 /nfs/dbraw/zinc/72/77/47/1204727747.db2.gz WWVFFWMLPSGFBM-AOIWGVFYSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565730 1204727752 /nfs/dbraw/zinc/72/77/52/1204727752.db2.gz WWVFFWMLPSGFBM-AOIWGVFYSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565730 1204727758 /nfs/dbraw/zinc/72/77/58/1204727758.db2.gz WWVFFWMLPSGFBM-AOIWGVFYSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)cn1 ZINC001091565730 1204727760 /nfs/dbraw/zinc/72/77/60/1204727760.db2.gz WWVFFWMLPSGFBM-AOIWGVFYSA-N 2 2 359.474 0.396 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774098 1204807065 /nfs/dbraw/zinc/80/70/65/1204807065.db2.gz QGOGJEXLXOLCCS-HZPDHXFCSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774098 1204807067 /nfs/dbraw/zinc/80/70/67/1204807067.db2.gz QGOGJEXLXOLCCS-HZPDHXFCSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774098 1204807070 /nfs/dbraw/zinc/80/70/70/1204807070.db2.gz QGOGJEXLXOLCCS-HZPDHXFCSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774098 1204807072 /nfs/dbraw/zinc/80/70/72/1204807072.db2.gz QGOGJEXLXOLCCS-HZPDHXFCSA-N 2 2 366.506 0.012 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCNC(=O)C1CC1)C2 ZINC001148304959 1204826561 /nfs/dbraw/zinc/82/65/61/1204826561.db2.gz PTPWCDWZZZTKQT-HZPDHXFCSA-N 2 2 371.485 0.584 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCNC(=O)C1CC1)C2 ZINC001148304959 1204826562 /nfs/dbraw/zinc/82/65/62/1204826562.db2.gz PTPWCDWZZZTKQT-HZPDHXFCSA-N 2 2 371.485 0.584 20 0 FCADLP CNC(=O)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001086928841 1204861796 /nfs/dbraw/zinc/86/17/96/1204861796.db2.gz PTVAXBDCCMXJJX-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CNC(=O)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001086928841 1204861798 /nfs/dbraw/zinc/86/17/98/1204861798.db2.gz PTVAXBDCCMXJJX-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1CC2(CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC[NH+](CC(N)=O)CC2 ZINC001086944098 1204861977 /nfs/dbraw/zinc/86/19/77/1204861977.db2.gz PARJSBNAUAFPJU-RRFJBIMHSA-N 2 2 359.474 0.712 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087038351 1204915270 /nfs/dbraw/zinc/91/52/70/1204915270.db2.gz BHOUHXSARCNZMN-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cc(C)on1 ZINC001087038351 1204915275 /nfs/dbraw/zinc/91/52/75/1204915275.db2.gz BHOUHXSARCNZMN-DJIMGWMZSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nccnc1C ZINC001087088469 1204976787 /nfs/dbraw/zinc/97/67/87/1204976787.db2.gz ZLKRFSXPTPPJOK-RHSMWYFYSA-N 2 2 358.446 0.704 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+][C@@H]1CCN(CC)C1=O ZINC001087093888 1204986972 /nfs/dbraw/zinc/98/69/72/1204986972.db2.gz IKNSBDNDMRLRAB-RBSFLKMASA-N 2 2 363.462 0.026 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087100114 1204996194 /nfs/dbraw/zinc/99/61/94/1204996194.db2.gz FFXQUKSFIHETTR-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087100114 1204996201 /nfs/dbraw/zinc/99/62/01/1204996201.db2.gz FFXQUKSFIHETTR-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001087097162 1205005322 /nfs/dbraw/zinc/00/53/22/1205005322.db2.gz ZINAKTCKDXLRRB-RHSMWYFYSA-N 2 2 360.462 0.349 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001091798015 1205017185 /nfs/dbraw/zinc/01/71/85/1205017185.db2.gz HHXGJQZBLHMBFS-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001091798015 1205017188 /nfs/dbraw/zinc/01/71/88/1205017188.db2.gz HHXGJQZBLHMBFS-QINHECLXSA-N 2 2 371.485 0.458 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)no1 ZINC001091805731 1205020192 /nfs/dbraw/zinc/02/01/92/1205020192.db2.gz NIPINQHMFKUEAI-DWQUBVKVSA-N 2 2 361.446 0.019 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)no1 ZINC001091805731 1205020196 /nfs/dbraw/zinc/02/01/96/1205020196.db2.gz NIPINQHMFKUEAI-DWQUBVKVSA-N 2 2 361.446 0.019 20 0 FCADLP Cn1cnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818275 1205042158 /nfs/dbraw/zinc/04/21/58/1205042158.db2.gz BAWPYFJYCMMTPG-QAPCUYQASA-N 2 2 358.490 0.724 20 0 FCADLP Cn1cnnc1C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818275 1205042165 /nfs/dbraw/zinc/04/21/65/1205042165.db2.gz BAWPYFJYCMMTPG-QAPCUYQASA-N 2 2 358.490 0.724 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)nn1 ZINC001091857253 1205053174 /nfs/dbraw/zinc/05/31/74/1205053174.db2.gz AQKTVUAPPPWVKQ-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)nn1 ZINC001091857253 1205053178 /nfs/dbraw/zinc/05/31/78/1205053178.db2.gz AQKTVUAPPPWVKQ-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091875061 1205061603 /nfs/dbraw/zinc/06/16/03/1205061603.db2.gz CQGKEYJBFCTVHM-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091875061 1205061608 /nfs/dbraw/zinc/06/16/08/1205061608.db2.gz CQGKEYJBFCTVHM-BEFAXECRSA-N 2 2 359.474 0.365 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091876874 1205062048 /nfs/dbraw/zinc/06/20/48/1205062048.db2.gz XEUDTUOGPRCFNQ-KUHUBIRLSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001091876874 1205062053 /nfs/dbraw/zinc/06/20/53/1205062053.db2.gz XEUDTUOGPRCFNQ-KUHUBIRLSA-N 2 2 359.474 0.412 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897250 1205077019 /nfs/dbraw/zinc/07/70/19/1205077019.db2.gz DZDZAEJQWHYCLJ-KHYOSLBOSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001091897250 1205077023 /nfs/dbraw/zinc/07/70/23/1205077023.db2.gz DZDZAEJQWHYCLJ-KHYOSLBOSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952238 1205089012 /nfs/dbraw/zinc/08/90/12/1205089012.db2.gz FUVVXESLTCAPOM-KYJSFNMBSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952238 1205089016 /nfs/dbraw/zinc/08/90/16/1205089016.db2.gz FUVVXESLTCAPOM-KYJSFNMBSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952238 1205089020 /nfs/dbraw/zinc/08/90/20/1205089020.db2.gz FUVVXESLTCAPOM-KYJSFNMBSA-N 2 2 363.462 0.459 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)C1 ZINC001091952238 1205089023 /nfs/dbraw/zinc/08/90/23/1205089023.db2.gz FUVVXESLTCAPOM-KYJSFNMBSA-N 2 2 363.462 0.459 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013148 1205113972 /nfs/dbraw/zinc/11/39/72/1205113972.db2.gz JCYIYFLGGXOREZ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013148 1205113976 /nfs/dbraw/zinc/11/39/76/1205113976.db2.gz JCYIYFLGGXOREZ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013148 1205113979 /nfs/dbraw/zinc/11/39/79/1205113979.db2.gz JCYIYFLGGXOREZ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2C[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@]3(C)C2)nn1 ZINC001092013148 1205113980 /nfs/dbraw/zinc/11/39/80/1205113980.db2.gz JCYIYFLGGXOREZ-FCEWJHQRSA-N 2 2 360.506 0.920 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092050329 1205126281 /nfs/dbraw/zinc/12/62/81/1205126281.db2.gz RBSCJWXOBHLVNY-SIIHOXLZSA-N 2 2 355.446 0.512 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC001092050329 1205126283 /nfs/dbraw/zinc/12/62/83/1205126283.db2.gz RBSCJWXOBHLVNY-SIIHOXLZSA-N 2 2 355.446 0.512 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC1 ZINC001092130995 1205169356 /nfs/dbraw/zinc/16/93/56/1205169356.db2.gz MKOOCSAGZLXPTM-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](Cc4cn(C)nn4)C[C@@]3(C)C2)CC1 ZINC001092130995 1205169359 /nfs/dbraw/zinc/16/93/59/1205169359.db2.gz MKOOCSAGZLXPTM-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092203746 1205197987 /nfs/dbraw/zinc/19/79/87/1205197987.db2.gz JDZQGGZPHXJZBW-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2C[N@@H+](Cc3cnnn3C)C[C@@]2(C)C1 ZINC001092203746 1205197988 /nfs/dbraw/zinc/19/79/88/1205197988.db2.gz JDZQGGZPHXJZBW-KUHUBIRLSA-N 2 2 369.473 0.870 20 0 FCADLP COc1ccccc1C1(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCOCC1 ZINC001220445722 1224875279 /nfs/dbraw/zinc/87/52/79/1224875279.db2.gz RSWNFGBAIYXYGJ-BHYGNILZSA-N 2 2 359.470 0.810 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301504 1205234501 /nfs/dbraw/zinc/23/45/01/1205234501.db2.gz KXLGFIPQJJVBSG-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301504 1205234506 /nfs/dbraw/zinc/23/45/06/1205234506.db2.gz KXLGFIPQJJVBSG-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301504 1205234510 /nfs/dbraw/zinc/23/45/10/1205234510.db2.gz KXLGFIPQJJVBSG-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@@]2(C)C1 ZINC001092301504 1205234516 /nfs/dbraw/zinc/23/45/16/1205234516.db2.gz KXLGFIPQJJVBSG-SUMDDJOVSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1Nc1cnc(F)cn1 ZINC001092314964 1205245150 /nfs/dbraw/zinc/24/51/50/1205245150.db2.gz ZVNCQFMLVBXIQR-CHWSQXEVSA-N 2 2 361.425 0.707 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092614581 1205329515 /nfs/dbraw/zinc/32/95/15/1205329515.db2.gz KHDCYRQZCXHRIN-QBPKDAKJSA-N 2 2 373.501 0.584 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092614581 1205329520 /nfs/dbraw/zinc/32/95/20/1205329520.db2.gz KHDCYRQZCXHRIN-QBPKDAKJSA-N 2 2 373.501 0.584 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092741646 1205348906 /nfs/dbraw/zinc/34/89/06/1205348906.db2.gz GSWPMIXJGCJPSC-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001092741646 1205348910 /nfs/dbraw/zinc/34/89/10/1205348910.db2.gz GSWPMIXJGCJPSC-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753746 1205351606 /nfs/dbraw/zinc/35/16/06/1205351606.db2.gz UTTFBWQBPGXWTM-CHWSQXEVSA-N 2 2 361.450 0.363 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753746 1205351608 /nfs/dbraw/zinc/35/16/08/1205351608.db2.gz UTTFBWQBPGXWTM-CHWSQXEVSA-N 2 2 361.450 0.363 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001220545617 1224919295 /nfs/dbraw/zinc/91/92/95/1224919295.db2.gz HLUZVJDSFBQCNB-MSOLQXFVSA-N 2 2 362.474 0.245 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001220545617 1224919301 /nfs/dbraw/zinc/91/93/01/1224919301.db2.gz HLUZVJDSFBQCNB-MSOLQXFVSA-N 2 2 362.474 0.245 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cn(C)nn3)C[C@H]1C)CC2 ZINC001092919232 1205944567 /nfs/dbraw/zinc/94/45/67/1205944567.db2.gz GNSIXNPKSKEUFG-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3cn(C)nn3)C[C@H]1C)CC2 ZINC001092919232 1205944571 /nfs/dbraw/zinc/94/45/71/1205944571.db2.gz GNSIXNPKSKEUFG-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc3cnn(C)n3)C[C@H]1C)CC2 ZINC001092919647 1205945892 /nfs/dbraw/zinc/94/58/92/1205945892.db2.gz VWGVICOZWYSBGD-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc3cnn(C)n3)C[C@H]1C)CC2 ZINC001092919647 1205945896 /nfs/dbraw/zinc/94/58/96/1205945896.db2.gz VWGVICOZWYSBGD-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc3nncn3C)C[C@H]1C)C2 ZINC001092966160 1205966984 /nfs/dbraw/zinc/96/69/84/1205966984.db2.gz SOZIKLSAJZTXQI-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc3nncn3C)C[C@H]1C)C2 ZINC001092966160 1205966988 /nfs/dbraw/zinc/96/69/88/1205966988.db2.gz SOZIKLSAJZTXQI-VNQPRFMTSA-N 2 2 371.489 0.767 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@H+](C)CC2 ZINC001093042812 1205991807 /nfs/dbraw/zinc/99/18/07/1205991807.db2.gz HZXLZTQSPWWXHQ-XYPHTWIQSA-N 2 2 358.490 0.642 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1C[N@@H+](C)CC2 ZINC001093042812 1205991810 /nfs/dbraw/zinc/99/18/10/1205991810.db2.gz HZXLZTQSPWWXHQ-XYPHTWIQSA-N 2 2 358.490 0.642 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)on1 ZINC001093193057 1206053221 /nfs/dbraw/zinc/05/32/21/1206053221.db2.gz BOLOHBNZSWORTJ-BPLDGKMQSA-N 2 2 363.462 0.557 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)on1 ZINC001093193057 1206053224 /nfs/dbraw/zinc/05/32/24/1206053224.db2.gz BOLOHBNZSWORTJ-BPLDGKMQSA-N 2 2 363.462 0.557 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)on1 ZINC001093193057 1206053229 /nfs/dbraw/zinc/05/32/29/1206053229.db2.gz BOLOHBNZSWORTJ-BPLDGKMQSA-N 2 2 363.462 0.557 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)on1 ZINC001093193057 1206053232 /nfs/dbraw/zinc/05/32/32/1206053232.db2.gz BOLOHBNZSWORTJ-BPLDGKMQSA-N 2 2 363.462 0.557 20 0 FCADLP CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)C1=O ZINC001093288159 1206073413 /nfs/dbraw/zinc/07/34/13/1206073413.db2.gz IYOVNKPYJOZEFH-FVQBIDKESA-N 2 2 361.490 0.956 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH+]cn2C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093476499 1206087559 /nfs/dbraw/zinc/08/75/59/1206087559.db2.gz BWXLBNICODBJNZ-FPAYPSAMSA-N 2 2 364.490 0.311 20 0 FCADLP COC[C@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545558 1206091945 /nfs/dbraw/zinc/09/19/45/1206091945.db2.gz KKWVXYOSBIFNJF-HDMKZQKVSA-N 2 2 369.506 0.432 20 0 FCADLP COC[C@H](C)[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545558 1206091949 /nfs/dbraw/zinc/09/19/49/1206091949.db2.gz KKWVXYOSBIFNJF-HDMKZQKVSA-N 2 2 369.506 0.432 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001093691400 1206101315 /nfs/dbraw/zinc/10/13/15/1206101315.db2.gz TXROXAQBQIIWRS-YUELXQCFSA-N 2 2 363.462 0.462 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001093691400 1206101318 /nfs/dbraw/zinc/10/13/18/1206101318.db2.gz TXROXAQBQIIWRS-YUELXQCFSA-N 2 2 363.462 0.462 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001093690930 1206101473 /nfs/dbraw/zinc/10/14/73/1206101473.db2.gz JCJKIOWZSXGJGW-KFWWJZLASA-N 2 2 364.494 0.443 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001093690930 1206101475 /nfs/dbraw/zinc/10/14/75/1206101475.db2.gz JCJKIOWZSXGJGW-KFWWJZLASA-N 2 2 364.494 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093784517 1206115505 /nfs/dbraw/zinc/11/55/05/1206115505.db2.gz IGUIRMXJUCHAIU-FMKPAKJESA-N 2 2 359.474 0.335 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093871862 1206138421 /nfs/dbraw/zinc/13/84/21/1206138421.db2.gz XLDTYOKNFRVCNF-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001093871587 1206138463 /nfs/dbraw/zinc/13/84/63/1206138463.db2.gz QJULOZLHOJIVEQ-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001093874089 1206140046 /nfs/dbraw/zinc/14/00/46/1206140046.db2.gz XDRCQRDIXAIICC-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001093879470 1206141240 /nfs/dbraw/zinc/14/12/40/1206141240.db2.gz XJWZTRVQRVAOJU-ZIAGYGMSSA-N 2 2 360.462 0.968 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C)[nH]1 ZINC001093879266 1206141308 /nfs/dbraw/zinc/14/13/08/1206141308.db2.gz QUTGKOLOTJIUQN-DGCLKSJQSA-N 2 2 361.450 0.661 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001093857127 1206146193 /nfs/dbraw/zinc/14/61/93/1206146193.db2.gz QSDJUEJMCYWLQU-BMFZPTHFSA-N 2 2 360.458 0.595 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C)c1nncn1C ZINC001093934591 1206161662 /nfs/dbraw/zinc/16/16/62/1206161662.db2.gz ZDYACLDQZIFUEC-QLFBSQMISA-N 2 2 359.478 0.927 20 0 FCADLP CO[C@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001094074963 1206180029 /nfs/dbraw/zinc/18/00/29/1206180029.db2.gz QJPVGYKZUPWLHX-JHJVBQTASA-N 2 2 362.434 0.927 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078828 1206180210 /nfs/dbraw/zinc/18/02/10/1206180210.db2.gz GAGMBDKRFHPWEE-HZSPNIEDSA-N 2 2 361.450 0.140 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC001094189733 1206205120 /nfs/dbraw/zinc/20/51/20/1206205120.db2.gz JMBSUQSWBXFOPP-TZMCWYRMSA-N 2 2 363.441 0.706 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)o1 ZINC001094233957 1206208864 /nfs/dbraw/zinc/20/88/64/1206208864.db2.gz AOTUCJXGNHRYAP-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)o1 ZINC001094233957 1206208867 /nfs/dbraw/zinc/20/88/67/1206208867.db2.gz AOTUCJXGNHRYAP-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172014931 1206254038 /nfs/dbraw/zinc/25/40/38/1206254038.db2.gz NSRXJVBLECJFTC-SFHVURJKSA-N 2 2 372.517 0.600 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172014931 1206254040 /nfs/dbraw/zinc/25/40/40/1206254040.db2.gz NSRXJVBLECJFTC-SFHVURJKSA-N 2 2 372.517 0.600 20 0 FCADLP COC(=O)N1CCC([N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001172738192 1206263979 /nfs/dbraw/zinc/26/39/79/1206263979.db2.gz RSBSZJXPYJZVIM-UHFFFAOYSA-N 2 2 359.434 0.959 20 0 FCADLP COC(=O)N1CCC([N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001172738192 1206263980 /nfs/dbraw/zinc/26/39/80/1206263980.db2.gz RSBSZJXPYJZVIM-UHFFFAOYSA-N 2 2 359.434 0.959 20 0 FCADLP CO[C@@H]1CCC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172930499 1206264549 /nfs/dbraw/zinc/26/45/49/1206264549.db2.gz RDLKAWWFKKWBCW-UKMLZYKCSA-N 2 2 363.462 0.359 20 0 FCADLP CO[C@H]1CCC[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001172930497 1206264562 /nfs/dbraw/zinc/26/45/62/1206264562.db2.gz RDLKAWWFKKWBCW-TUUVXOQKSA-N 2 2 363.462 0.359 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264621 1206290545 /nfs/dbraw/zinc/29/05/45/1206290545.db2.gz VQHGBLSFUCOZQG-VSZNYVQBSA-N 2 2 372.469 0.338 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264621 1206290548 /nfs/dbraw/zinc/29/05/48/1206290548.db2.gz VQHGBLSFUCOZQG-VSZNYVQBSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264621 1206290552 /nfs/dbraw/zinc/29/05/52/1206290552.db2.gz VQHGBLSFUCOZQG-VSZNYVQBSA-N 2 2 372.469 0.338 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C(N)=O)cc2)C1 ZINC001095264621 1206290556 /nfs/dbraw/zinc/29/05/56/1206290556.db2.gz VQHGBLSFUCOZQG-VSZNYVQBSA-N 2 2 372.469 0.338 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)n1 ZINC001095268157 1206291288 /nfs/dbraw/zinc/29/12/88/1206291288.db2.gz SYEWMQNZDBIHHO-OWSLCNJRSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001095268157 1206291290 /nfs/dbraw/zinc/29/12/90/1206291290.db2.gz SYEWMQNZDBIHHO-OWSLCNJRSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001095268157 1206291294 /nfs/dbraw/zinc/29/12/94/1206291294.db2.gz SYEWMQNZDBIHHO-OWSLCNJRSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)n1 ZINC001095268157 1206291295 /nfs/dbraw/zinc/29/12/95/1206291295.db2.gz SYEWMQNZDBIHHO-OWSLCNJRSA-N 2 2 361.490 0.552 20 0 FCADLP C[N@@H+]1CCCn2nc(C(=O)N3C[C@@H]4C[NH+](CC5CC5)C[C@H](C3)O4)cc2C1 ZINC001175062763 1206298767 /nfs/dbraw/zinc/29/87/67/1206298767.db2.gz ARHHDNMOHFTPMU-CALCHBBNSA-N 2 2 359.474 0.654 20 0 FCADLP C[N@H+]1CCCn2nc(C(=O)N3C[C@@H]4C[NH+](CC5CC5)C[C@H](C3)O4)cc2C1 ZINC001175062763 1206298771 /nfs/dbraw/zinc/29/87/71/1206298771.db2.gz ARHHDNMOHFTPMU-CALCHBBNSA-N 2 2 359.474 0.654 20 0 FCADLP C[NH+]1CCCn2nc(C(=O)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cc2C1 ZINC001175062763 1206298775 /nfs/dbraw/zinc/29/87/75/1206298775.db2.gz ARHHDNMOHFTPMU-CALCHBBNSA-N 2 2 359.474 0.654 20 0 FCADLP C[NH+]1CCCn2nc(C(=O)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)cc2C1 ZINC001175062763 1206298778 /nfs/dbraw/zinc/29/87/78/1206298778.db2.gz ARHHDNMOHFTPMU-CALCHBBNSA-N 2 2 359.474 0.654 20 0 FCADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188973 1206307134 /nfs/dbraw/zinc/30/71/34/1206307134.db2.gz YBUPNJDIBOFKFW-ILXRZTDVSA-N 2 2 365.478 0.169 20 0 FCADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188973 1206307136 /nfs/dbraw/zinc/30/71/36/1206307136.db2.gz YBUPNJDIBOFKFW-ILXRZTDVSA-N 2 2 365.478 0.169 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110193059 1206311552 /nfs/dbraw/zinc/31/15/52/1206311552.db2.gz NWOVJHVTEVUPNL-CBBWQLFWSA-N 2 2 359.430 0.190 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110193059 1206311557 /nfs/dbraw/zinc/31/15/57/1206311557.db2.gz NWOVJHVTEVUPNL-CBBWQLFWSA-N 2 2 359.430 0.190 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@@H]1O)C(C)C ZINC001220575623 1224942834 /nfs/dbraw/zinc/94/28/34/1224942834.db2.gz ZDTNCWNXHWJZMM-IKGGRYGDSA-N 2 2 368.522 0.040 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@@H]1O)C(C)C ZINC001220575623 1224942840 /nfs/dbraw/zinc/94/28/40/1224942840.db2.gz ZDTNCWNXHWJZMM-IKGGRYGDSA-N 2 2 368.522 0.040 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085196 1206329652 /nfs/dbraw/zinc/32/96/52/1206329652.db2.gz VBHINRYLXDZYNL-VNHYZAJKSA-N 2 2 363.462 0.866 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085196 1206329656 /nfs/dbraw/zinc/32/96/56/1206329656.db2.gz VBHINRYLXDZYNL-VNHYZAJKSA-N 2 2 363.462 0.866 20 0 FCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085196 1206329659 /nfs/dbraw/zinc/32/96/59/1206329659.db2.gz VBHINRYLXDZYNL-VNHYZAJKSA-N 2 2 363.462 0.866 20 0 FCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001177085196 1206329661 /nfs/dbraw/zinc/32/96/61/1206329661.db2.gz VBHINRYLXDZYNL-VNHYZAJKSA-N 2 2 363.462 0.866 20 0 FCADLP CC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3[nH+]ccn3C)CC2)CC1 ZINC001179017511 1206369185 /nfs/dbraw/zinc/36/91/85/1206369185.db2.gz KAOQZRKBELLFKZ-UHFFFAOYSA-N 2 2 361.490 0.802 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220584852 1224949315 /nfs/dbraw/zinc/94/93/15/1224949315.db2.gz MJQWVGDJVDCCSX-ZACQAIPSSA-N 2 2 370.538 0.523 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220584852 1224949323 /nfs/dbraw/zinc/94/93/23/1224949323.db2.gz MJQWVGDJVDCCSX-ZACQAIPSSA-N 2 2 370.538 0.523 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581775 1206395962 /nfs/dbraw/zinc/39/59/62/1206395962.db2.gz ZSVDMPVVPWWUSN-APWZRJJASA-N 2 2 366.506 0.158 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001180581775 1206395965 /nfs/dbraw/zinc/39/59/65/1206395965.db2.gz ZSVDMPVVPWWUSN-APWZRJJASA-N 2 2 366.506 0.158 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@H]3CCOC3)CC2)C1=O ZINC001180921925 1206402009 /nfs/dbraw/zinc/40/20/09/1206402009.db2.gz MHPKTRZBFPJPAN-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@H]3CCOC3)CC2)C1=O ZINC001180921925 1206402011 /nfs/dbraw/zinc/40/20/11/1206402011.db2.gz MHPKTRZBFPJPAN-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000774474342 1206437905 /nfs/dbraw/zinc/43/79/05/1206437905.db2.gz XQIBNAUKYAXZNR-INIZCTEOSA-N 2 2 363.462 0.149 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@]1(C)C[NH2+]CCOCCO ZINC001182669675 1206441005 /nfs/dbraw/zinc/44/10/05/1206441005.db2.gz VWTVWURTJHGBGX-YKTARERQSA-N 2 2 364.490 0.607 20 0 FCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184469939 1206471597 /nfs/dbraw/zinc/47/15/97/1206471597.db2.gz VSBOTZSZHJWUIF-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2CCN3C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001273543326 1207373491 /nfs/dbraw/zinc/37/34/91/1207373491.db2.gz DGHUECCMAQWZQI-KUHUBIRLSA-N 2 2 359.474 0.886 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205431 1207435000 /nfs/dbraw/zinc/43/50/00/1207435000.db2.gz LMCVWVJOAZPHRJ-HRCADAONSA-N 2 2 359.474 0.819 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205431 1207435002 /nfs/dbraw/zinc/43/50/02/1207435002.db2.gz LMCVWVJOAZPHRJ-HRCADAONSA-N 2 2 359.474 0.819 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001188369316 1207446822 /nfs/dbraw/zinc/44/68/22/1207446822.db2.gz ITDXMWXNZPWJRK-XYJFISCASA-N 2 2 371.485 0.504 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)C1CC1 ZINC001188369316 1207446823 /nfs/dbraw/zinc/44/68/23/1207446823.db2.gz ITDXMWXNZPWJRK-XYJFISCASA-N 2 2 371.485 0.504 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001188387183 1207448559 /nfs/dbraw/zinc/44/85/59/1207448559.db2.gz BRYZMOLOEFSDDT-XYJFISCASA-N 2 2 371.485 0.504 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001188387183 1207448562 /nfs/dbraw/zinc/44/85/62/1207448562.db2.gz BRYZMOLOEFSDDT-XYJFISCASA-N 2 2 371.485 0.504 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388461 1207449014 /nfs/dbraw/zinc/44/90/14/1207449014.db2.gz POAXBHCUROUUSQ-YQQAZPJKSA-N 2 2 359.474 0.457 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388461 1207449015 /nfs/dbraw/zinc/44/90/15/1207449015.db2.gz POAXBHCUROUUSQ-YQQAZPJKSA-N 2 2 359.474 0.457 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188950159 1207491532 /nfs/dbraw/zinc/49/15/32/1207491532.db2.gz YNZDIXBSCVUPFU-ZMSDIMECSA-N 2 2 359.474 0.423 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188950159 1207491536 /nfs/dbraw/zinc/49/15/36/1207491536.db2.gz YNZDIXBSCVUPFU-ZMSDIMECSA-N 2 2 359.474 0.423 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471253 1207552156 /nfs/dbraw/zinc/55/21/56/1207552156.db2.gz PRYAJLHYSLCBKU-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471253 1207552158 /nfs/dbraw/zinc/55/21/58/1207552158.db2.gz PRYAJLHYSLCBKU-LSDHHAIUSA-N 2 2 367.494 0.097 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762746 1207595902 /nfs/dbraw/zinc/59/59/02/1207595902.db2.gz FDLWSGWCPYNDIX-YXJHDRRASA-N 2 2 371.441 0.421 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762746 1207595905 /nfs/dbraw/zinc/59/59/05/1207595905.db2.gz FDLWSGWCPYNDIX-YXJHDRRASA-N 2 2 371.441 0.421 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786637 1207600980 /nfs/dbraw/zinc/60/09/80/1207600980.db2.gz GUTHSCXRJWAFBF-YQQAZPJKSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786637 1207600988 /nfs/dbraw/zinc/60/09/88/1207600988.db2.gz GUTHSCXRJWAFBF-YQQAZPJKSA-N 2 2 361.490 0.751 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189993018 1207635240 /nfs/dbraw/zinc/63/52/40/1207635240.db2.gz YSAQKDVDTIFIHG-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189993018 1207635244 /nfs/dbraw/zinc/63/52/44/1207635244.db2.gz YSAQKDVDTIFIHG-DOTOQJQBSA-N 2 2 361.490 0.754 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001190176064 1207658304 /nfs/dbraw/zinc/65/83/04/1207658304.db2.gz ATQOQWAHNIQFGR-RRQGHBQHSA-N 2 2 359.474 0.639 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N[C@@H](C)C3CC3)C[C@H]21 ZINC001190176064 1207658308 /nfs/dbraw/zinc/65/83/08/1207658308.db2.gz ATQOQWAHNIQFGR-RRQGHBQHSA-N 2 2 359.474 0.639 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220683626 1225011015 /nfs/dbraw/zinc/01/10/15/1225011015.db2.gz WQWIYCSOTOGXSP-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220683626 1225011021 /nfs/dbraw/zinc/01/10/21/1225011021.db2.gz WQWIYCSOTOGXSP-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220683626 1225011028 /nfs/dbraw/zinc/01/10/28/1225011028.db2.gz WQWIYCSOTOGXSP-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C(C)C)C[C@@H]1O ZINC001220683626 1225011038 /nfs/dbraw/zinc/01/10/38/1225011038.db2.gz WQWIYCSOTOGXSP-SJORKVTESA-N 2 2 370.538 0.383 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC001190857813 1207731894 /nfs/dbraw/zinc/73/18/94/1207731894.db2.gz QCVYSTUCZSKFFV-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC001190857813 1207731901 /nfs/dbraw/zinc/73/19/01/1207731901.db2.gz QCVYSTUCZSKFFV-LJQANCHMSA-N 2 2 360.502 0.885 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689405 1225016567 /nfs/dbraw/zinc/01/65/67/1225016567.db2.gz GGYAPAJPFFOFGG-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689405 1225016579 /nfs/dbraw/zinc/01/65/79/1225016579.db2.gz GGYAPAJPFFOFGG-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220689405 1225016592 /nfs/dbraw/zinc/01/65/92/1225016592.db2.gz GGYAPAJPFFOFGG-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220689405 1225016599 /nfs/dbraw/zinc/01/65/99/1225016599.db2.gz GGYAPAJPFFOFGG-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O ZINC001193111183 1207858942 /nfs/dbraw/zinc/85/89/42/1207858942.db2.gz OKUCTUHMCJHQBP-IAGOWNOFSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O ZINC001193111183 1207858943 /nfs/dbraw/zinc/85/89/43/1207858943.db2.gz OKUCTUHMCJHQBP-IAGOWNOFSA-N 2 2 362.474 0.350 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193780549 1207888228 /nfs/dbraw/zinc/88/82/28/1207888228.db2.gz CNGGBWVMYGECRX-JFIYKMOQSA-N 2 2 362.474 0.482 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC001193780549 1207888229 /nfs/dbraw/zinc/88/82/29/1207888229.db2.gz CNGGBWVMYGECRX-JFIYKMOQSA-N 2 2 362.474 0.482 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193780857 1207888404 /nfs/dbraw/zinc/88/84/04/1207888404.db2.gz GORDIXGXXDQWIP-IIDMSEBBSA-N 2 2 364.490 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC001193780857 1207888406 /nfs/dbraw/zinc/88/84/06/1207888406.db2.gz GORDIXGXXDQWIP-IIDMSEBBSA-N 2 2 364.490 0.937 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193901113 1207897516 /nfs/dbraw/zinc/89/75/16/1207897516.db2.gz CFJZMQYVPGLLKF-ZMSDIMECSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193901113 1207897520 /nfs/dbraw/zinc/89/75/20/1207897520.db2.gz CFJZMQYVPGLLKF-ZMSDIMECSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193901113 1207897522 /nfs/dbraw/zinc/89/75/22/1207897522.db2.gz CFJZMQYVPGLLKF-ZMSDIMECSA-N 2 2 364.494 0.142 20 0 FCADLP CCn1nnc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193901113 1207897524 /nfs/dbraw/zinc/89/75/24/1207897524.db2.gz CFJZMQYVPGLLKF-ZMSDIMECSA-N 2 2 364.494 0.142 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001193892950 1207897729 /nfs/dbraw/zinc/89/77/29/1207897729.db2.gz WYOSWQPGGFVTKW-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001193892950 1207897730 /nfs/dbraw/zinc/89/77/30/1207897730.db2.gz WYOSWQPGGFVTKW-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001193892950 1207897733 /nfs/dbraw/zinc/89/77/33/1207897733.db2.gz WYOSWQPGGFVTKW-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC001193892950 1207897735 /nfs/dbraw/zinc/89/77/35/1207897735.db2.gz WYOSWQPGGFVTKW-BRWVUGGUSA-N 2 2 362.474 0.626 20 0 FCADLP C[N@@H+](C1CN(C(=O)c2cncc(N3CC[NH+](C)CC3)c2)C1)[C@H]1CCOC1 ZINC001193945574 1207904525 /nfs/dbraw/zinc/90/45/25/1207904525.db2.gz SELZHWIEZVOPCJ-INIZCTEOSA-N 2 2 359.474 0.379 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001194118502 1207915820 /nfs/dbraw/zinc/91/58/20/1207915820.db2.gz IEKYYAXJDJSAMG-CEXWTWQISA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@H]1O ZINC001194118502 1207915827 /nfs/dbraw/zinc/91/58/27/1207915827.db2.gz IEKYYAXJDJSAMG-CEXWTWQISA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1O ZINC001194118502 1207915832 /nfs/dbraw/zinc/91/58/32/1207915832.db2.gz IEKYYAXJDJSAMG-CEXWTWQISA-N 2 2 361.486 0.849 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102117 1207919071 /nfs/dbraw/zinc/91/90/71/1207919071.db2.gz CDZGSZKKWGJWHZ-HZPDHXFCSA-N 2 2 366.462 0.003 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102117 1207919073 /nfs/dbraw/zinc/91/90/73/1207919073.db2.gz CDZGSZKKWGJWHZ-HZPDHXFCSA-N 2 2 366.462 0.003 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001194235513 1207925866 /nfs/dbraw/zinc/92/58/66/1207925866.db2.gz KXQRBNYHWBLVML-HZPDHXFCSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001194235513 1207925870 /nfs/dbraw/zinc/92/58/70/1207925870.db2.gz KXQRBNYHWBLVML-HZPDHXFCSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001194235513 1207925874 /nfs/dbraw/zinc/92/58/74/1207925874.db2.gz KXQRBNYHWBLVML-HZPDHXFCSA-N 2 2 368.522 0.137 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1O ZINC001194235513 1207925878 /nfs/dbraw/zinc/92/58/78/1207925878.db2.gz KXQRBNYHWBLVML-HZPDHXFCSA-N 2 2 368.522 0.137 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258208 1207927285 /nfs/dbraw/zinc/92/72/85/1207927285.db2.gz FARNVOKJDJKBKK-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258208 1207927290 /nfs/dbraw/zinc/92/72/90/1207927290.db2.gz FARNVOKJDJKBKK-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258208 1207927297 /nfs/dbraw/zinc/92/72/97/1207927297.db2.gz FARNVOKJDJKBKK-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1O ZINC001194258208 1207927303 /nfs/dbraw/zinc/92/73/03/1207927303.db2.gz FARNVOKJDJKBKK-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1=O ZINC001194298612 1207930542 /nfs/dbraw/zinc/93/05/42/1207930542.db2.gz HQPUICDNPQWQFC-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1=O ZINC001194298612 1207930545 /nfs/dbraw/zinc/93/05/45/1207930545.db2.gz HQPUICDNPQWQFC-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1=O ZINC001194298612 1207930550 /nfs/dbraw/zinc/93/05/50/1207930550.db2.gz HQPUICDNPQWQFC-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP CN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1=O ZINC001194298612 1207930554 /nfs/dbraw/zinc/93/05/54/1207930554.db2.gz HQPUICDNPQWQFC-OWCLPIDISA-N 2 2 366.506 0.031 20 0 FCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001194321170 1207932876 /nfs/dbraw/zinc/93/28/76/1207932876.db2.gz LWLQOFNASJSSRD-HZPDHXFCSA-N 2 2 366.506 0.033 20 0 FCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1O ZINC001194321170 1207932879 /nfs/dbraw/zinc/93/28/79/1207932879.db2.gz LWLQOFNASJSSRD-HZPDHXFCSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001194321170 1207932882 /nfs/dbraw/zinc/93/28/82/1207932882.db2.gz LWLQOFNASJSSRD-HZPDHXFCSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001194321170 1207932887 /nfs/dbraw/zinc/93/28/87/1207932887.db2.gz LWLQOFNASJSSRD-HZPDHXFCSA-N 2 2 366.506 0.033 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001194603466 1207964954 /nfs/dbraw/zinc/96/49/54/1207964954.db2.gz DVTGTNDSQDIESW-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001194603466 1207964957 /nfs/dbraw/zinc/96/49/57/1207964957.db2.gz DVTGTNDSQDIESW-QZTJIDSGSA-N 2 2 371.441 0.469 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)CCCC1 ZINC001194997079 1207987919 /nfs/dbraw/zinc/98/79/19/1207987919.db2.gz LNGJDEIRSONWMQ-HZPDHXFCSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)CCCC1 ZINC001194997079 1207987920 /nfs/dbraw/zinc/98/79/20/1207987920.db2.gz LNGJDEIRSONWMQ-HZPDHXFCSA-N 2 2 366.506 0.035 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006305 1207988416 /nfs/dbraw/zinc/98/84/16/1207988416.db2.gz FTVIRSPPFOYROF-HZPDHXFCSA-N 2 2 368.522 0.279 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006305 1207988417 /nfs/dbraw/zinc/98/84/17/1207988417.db2.gz FTVIRSPPFOYROF-HZPDHXFCSA-N 2 2 368.522 0.279 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1O ZINC001195127871 1208000346 /nfs/dbraw/zinc/00/03/46/1208000346.db2.gz BCONDKHUFKFVFM-QZTJIDSGSA-N 2 2 358.442 0.904 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1O ZINC001195127871 1208000348 /nfs/dbraw/zinc/00/03/48/1208000348.db2.gz BCONDKHUFKFVFM-QZTJIDSGSA-N 2 2 358.442 0.904 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195127828 1208000583 /nfs/dbraw/zinc/00/05/83/1208000583.db2.gz AJWBFMRNMLONRG-IAGOWNOFSA-N 2 2 362.405 0.653 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1O ZINC001195127828 1208000587 /nfs/dbraw/zinc/00/05/87/1208000587.db2.gz AJWBFMRNMLONRG-IAGOWNOFSA-N 2 2 362.405 0.653 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)ccc1C ZINC001195149495 1208005123 /nfs/dbraw/zinc/00/51/23/1208005123.db2.gz PMIFUEOANHZJCA-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCn3cc[nH+]c3)C2)ccc1C ZINC001195149495 1208005128 /nfs/dbraw/zinc/00/51/28/1208005128.db2.gz PMIFUEOANHZJCA-IAGOWNOFSA-N 2 2 358.442 0.952 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC1 ZINC001195677909 1208033135 /nfs/dbraw/zinc/03/31/35/1208033135.db2.gz XHLXOWRBAJLOAL-HZPDHXFCSA-N 2 2 363.506 0.641 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)C[C@H]2O)CC1 ZINC001195677909 1208033139 /nfs/dbraw/zinc/03/31/39/1208033139.db2.gz XHLXOWRBAJLOAL-HZPDHXFCSA-N 2 2 363.506 0.641 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196185522 1208060015 /nfs/dbraw/zinc/06/00/15/1208060015.db2.gz XJHQNBKSHHWLBG-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196185522 1208060017 /nfs/dbraw/zinc/06/00/17/1208060017.db2.gz XJHQNBKSHHWLBG-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196185522 1208060018 /nfs/dbraw/zinc/06/00/18/1208060018.db2.gz XJHQNBKSHHWLBG-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196185522 1208060020 /nfs/dbraw/zinc/06/00/20/1208060020.db2.gz XJHQNBKSHHWLBG-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC3CC3)C[C@H]1O)C2 ZINC001196167717 1208063400 /nfs/dbraw/zinc/06/34/00/1208063400.db2.gz FXJLFJDXDAQHNY-CGTJXYLNSA-N 2 2 362.474 0.342 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC3CC3)C[C@H]1O)C2 ZINC001196167717 1208063405 /nfs/dbraw/zinc/06/34/05/1208063405.db2.gz FXJLFJDXDAQHNY-CGTJXYLNSA-N 2 2 362.474 0.342 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001196215220 1208067994 /nfs/dbraw/zinc/06/79/94/1208067994.db2.gz WXFWMMHLDJZDBR-RTBURBONSA-N 2 2 371.485 0.219 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001196215220 1208067995 /nfs/dbraw/zinc/06/79/95/1208067995.db2.gz WXFWMMHLDJZDBR-RTBURBONSA-N 2 2 371.485 0.219 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001196215220 1208067998 /nfs/dbraw/zinc/06/79/98/1208067998.db2.gz WXFWMMHLDJZDBR-RTBURBONSA-N 2 2 371.485 0.219 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001196215220 1208068000 /nfs/dbraw/zinc/06/80/00/1208068000.db2.gz WXFWMMHLDJZDBR-RTBURBONSA-N 2 2 371.485 0.219 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196222392 1208068456 /nfs/dbraw/zinc/06/84/56/1208068456.db2.gz MZCUSLJBUWFMFL-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2)C1=O ZINC001196222392 1208068457 /nfs/dbraw/zinc/06/84/57/1208068457.db2.gz MZCUSLJBUWFMFL-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1=O ZINC001196222392 1208068458 /nfs/dbraw/zinc/06/84/58/1208068458.db2.gz MZCUSLJBUWFMFL-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1=O ZINC001196222392 1208068459 /nfs/dbraw/zinc/06/84/59/1208068459.db2.gz MZCUSLJBUWFMFL-BZUAXINKSA-N 2 2 368.522 0.135 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196299355 1208073659 /nfs/dbraw/zinc/07/36/59/1208073659.db2.gz KIKCZJWKCWGJGG-CGTJXYLNSA-N 2 2 362.474 0.244 20 0 FCADLP C[C@@H](COCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O)[NH+]1CCCC1 ZINC001196299355 1208073662 /nfs/dbraw/zinc/07/36/62/1208073662.db2.gz KIKCZJWKCWGJGG-CGTJXYLNSA-N 2 2 362.474 0.244 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@H]1O ZINC001196526490 1208088661 /nfs/dbraw/zinc/08/86/61/1208088661.db2.gz IMUIMUDJGMIZAB-IAGOWNOFSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@H]1O ZINC001196526490 1208088663 /nfs/dbraw/zinc/08/86/63/1208088663.db2.gz IMUIMUDJGMIZAB-IAGOWNOFSA-N 2 2 364.490 0.985 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645334 1208096982 /nfs/dbraw/zinc/09/69/82/1208096982.db2.gz OYGCQIKPQOBNEH-USXIJHARSA-N 2 2 368.522 0.184 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196645334 1208096986 /nfs/dbraw/zinc/09/69/86/1208096986.db2.gz OYGCQIKPQOBNEH-USXIJHARSA-N 2 2 368.522 0.184 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826823 1208111297 /nfs/dbraw/zinc/11/12/97/1208111297.db2.gz JVTPNNHHABSJMO-BMGDILEWSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826823 1208111302 /nfs/dbraw/zinc/11/13/02/1208111302.db2.gz JVTPNNHHABSJMO-BMGDILEWSA-N 2 2 364.490 0.956 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O ZINC001196826823 1208111307 /nfs/dbraw/zinc/11/13/07/1208111307.db2.gz JVTPNNHHABSJMO-BMGDILEWSA-N 2 2 364.490 0.956 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001196932540 1208119845 /nfs/dbraw/zinc/11/98/45/1208119845.db2.gz HLUZVJDSFBQCNB-QZTJIDSGSA-N 2 2 362.474 0.245 20 0 FCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001196932540 1208119847 /nfs/dbraw/zinc/11/98/47/1208119847.db2.gz HLUZVJDSFBQCNB-QZTJIDSGSA-N 2 2 362.474 0.245 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139310 1208137672 /nfs/dbraw/zinc/13/76/72/1208137672.db2.gz LEYMLQKHDIUGQI-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197139310 1208137674 /nfs/dbraw/zinc/13/76/74/1208137674.db2.gz LEYMLQKHDIUGQI-GVDBMIGSSA-N 2 2 368.522 0.137 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197403165 1208159659 /nfs/dbraw/zinc/15/96/59/1208159659.db2.gz FFCLKEBVLYGVEM-USXIJHARSA-N 2 2 368.522 0.183 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197403165 1208159661 /nfs/dbraw/zinc/15/96/61/1208159661.db2.gz FFCLKEBVLYGVEM-USXIJHARSA-N 2 2 368.522 0.183 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220740247 1225047524 /nfs/dbraw/zinc/04/75/24/1225047524.db2.gz CQXNMDXHZRWHHQ-SJORKVTESA-N 2 2 368.522 0.329 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220740247 1225047532 /nfs/dbraw/zinc/04/75/32/1225047532.db2.gz CQXNMDXHZRWHHQ-SJORKVTESA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926738 1208205808 /nfs/dbraw/zinc/20/58/08/1208205808.db2.gz VFRFMVJBAKZEHG-GVDBMIGSSA-N 2 2 370.538 0.430 20 0 FCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926738 1208205809 /nfs/dbraw/zinc/20/58/09/1208205809.db2.gz VFRFMVJBAKZEHG-GVDBMIGSSA-N 2 2 370.538 0.430 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926727 1208206167 /nfs/dbraw/zinc/20/61/67/1208206167.db2.gz UTGGZTSHOIYDKY-ARFHVFGLSA-N 2 2 370.538 0.573 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926727 1208206171 /nfs/dbraw/zinc/20/61/71/1208206171.db2.gz UTGGZTSHOIYDKY-ARFHVFGLSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048806 1208213261 /nfs/dbraw/zinc/21/32/61/1208213261.db2.gz ZWWCXJRBWWPEMP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048806 1208213263 /nfs/dbraw/zinc/21/32/63/1208213263.db2.gz ZWWCXJRBWWPEMP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048806 1208213265 /nfs/dbraw/zinc/21/32/65/1208213265.db2.gz ZWWCXJRBWWPEMP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001198048806 1208213267 /nfs/dbraw/zinc/21/32/67/1208213267.db2.gz ZWWCXJRBWWPEMP-BRWVUGGUSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC001198031529 1208215423 /nfs/dbraw/zinc/21/54/23/1208215423.db2.gz WAEOZIINFDSVAH-MRXNPFEDSA-N 2 2 360.458 0.605 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC001198031529 1208215426 /nfs/dbraw/zinc/21/54/26/1208215426.db2.gz WAEOZIINFDSVAH-MRXNPFEDSA-N 2 2 360.458 0.605 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110506234 1208239627 /nfs/dbraw/zinc/23/96/27/1208239627.db2.gz LFKALGFEIGCFOI-FPCVCCKLSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1 ZINC001110506234 1208239628 /nfs/dbraw/zinc/23/96/28/1208239628.db2.gz LFKALGFEIGCFOI-FPCVCCKLSA-N 2 2 358.446 0.321 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511586 1208262325 /nfs/dbraw/zinc/26/23/25/1208262325.db2.gz KGUWXFOGIYZNEB-KFWWJZLASA-N 2 2 362.478 0.771 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110511586 1208262328 /nfs/dbraw/zinc/26/23/28/1208262328.db2.gz KGUWXFOGIYZNEB-KFWWJZLASA-N 2 2 362.478 0.771 20 0 FCADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199024108 1208310009 /nfs/dbraw/zinc/31/00/09/1208310009.db2.gz ZRWZGZKQYNOJOW-KBAYOESNSA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001199024108 1208310010 /nfs/dbraw/zinc/31/00/10/1208310010.db2.gz ZRWZGZKQYNOJOW-KBAYOESNSA-N 2 2 361.490 0.883 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O ZINC001199063876 1208315139 /nfs/dbraw/zinc/31/51/39/1208315139.db2.gz AUWCZRRNQZMOCE-HZPDHXFCSA-N 2 2 371.428 0.805 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O ZINC001199063876 1208315143 /nfs/dbraw/zinc/31/51/43/1208315143.db2.gz AUWCZRRNQZMOCE-HZPDHXFCSA-N 2 2 371.428 0.805 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001199104383 1208318766 /nfs/dbraw/zinc/31/87/66/1208318766.db2.gz LISBHXRBRJQYMI-HZPDHXFCSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001199104383 1208318768 /nfs/dbraw/zinc/31/87/68/1208318768.db2.gz LISBHXRBRJQYMI-HZPDHXFCSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001199104383 1208318769 /nfs/dbraw/zinc/31/87/69/1208318769.db2.gz LISBHXRBRJQYMI-HZPDHXFCSA-N 2 2 363.458 0.459 20 0 FCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199104803 1208318866 /nfs/dbraw/zinc/31/88/66/1208318866.db2.gz TUPXKOCVXJKYTI-IAGOWNOFSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199104803 1208318868 /nfs/dbraw/zinc/31/88/68/1208318868.db2.gz TUPXKOCVXJKYTI-IAGOWNOFSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1)C(C)C ZINC001199104803 1208318871 /nfs/dbraw/zinc/31/88/71/1208318871.db2.gz TUPXKOCVXJKYTI-IAGOWNOFSA-N 2 2 370.538 0.381 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370076 1208343916 /nfs/dbraw/zinc/34/39/16/1208343916.db2.gz JGOKYMGNAOMLMK-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370076 1208343917 /nfs/dbraw/zinc/34/39/17/1208343917.db2.gz JGOKYMGNAOMLMK-BRWVUGGUSA-N 2 2 368.522 0.329 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)n1 ZINC001199397961 1208344308 /nfs/dbraw/zinc/34/43/08/1208344308.db2.gz GCTQPYYSVMLVGF-IAGOWNOFSA-N 2 2 360.462 0.338 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)n1 ZINC001199397961 1208344311 /nfs/dbraw/zinc/34/43/11/1208344311.db2.gz GCTQPYYSVMLVGF-IAGOWNOFSA-N 2 2 360.462 0.338 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821791 1225086240 /nfs/dbraw/zinc/08/62/40/1225086240.db2.gz GQSAZODGVAVDCH-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821791 1225086249 /nfs/dbraw/zinc/08/62/49/1225086249.db2.gz GQSAZODGVAVDCH-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821791 1225086256 /nfs/dbraw/zinc/08/62/56/1225086256.db2.gz GQSAZODGVAVDCH-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220821791 1225086260 /nfs/dbraw/zinc/08/62/60/1225086260.db2.gz GQSAZODGVAVDCH-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001220826095 1225090490 /nfs/dbraw/zinc/09/04/90/1225090490.db2.gz MJEIZAHPNZKCQZ-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001220826095 1225090498 /nfs/dbraw/zinc/09/04/98/1225090498.db2.gz MJEIZAHPNZKCQZ-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001220826095 1225090506 /nfs/dbraw/zinc/09/05/06/1225090506.db2.gz MJEIZAHPNZKCQZ-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@@H]1O ZINC001220826095 1225090513 /nfs/dbraw/zinc/09/05/13/1225090513.db2.gz MJEIZAHPNZKCQZ-BBWFWOEESA-N 2 2 368.522 0.138 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1)[NH+](C)C ZINC001489530604 1208885302 /nfs/dbraw/zinc/88/53/02/1208885302.db2.gz ZRXJONSWZXIFMK-BZUAXINKSA-N 2 2 365.478 0.346 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1)[NH+](CC)CC ZINC001489606463 1208959946 /nfs/dbraw/zinc/95/99/46/1208959946.db2.gz FHQDIMXGDIZDLG-OAGGEKHMSA-N 2 2 365.478 0.082 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001220888501 1225124957 /nfs/dbraw/zinc/12/49/57/1225124957.db2.gz OPYAHCIPLHDBNB-SQNIBIBYSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1)C1CCCC1 ZINC001220888501 1225124961 /nfs/dbraw/zinc/12/49/61/1225124961.db2.gz OPYAHCIPLHDBNB-SQNIBIBYSA-N 2 2 364.490 0.719 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128497 1209534369 /nfs/dbraw/zinc/53/43/69/1209534369.db2.gz PTWUIRJGDPQZQI-GOEBONIOSA-N 2 2 365.478 0.391 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128497 1209534373 /nfs/dbraw/zinc/53/43/73/1209534373.db2.gz PTWUIRJGDPQZQI-GOEBONIOSA-N 2 2 365.478 0.391 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110644325 1209538517 /nfs/dbraw/zinc/53/85/17/1209538517.db2.gz HLMFRZZSOVUSLT-SVGFKBNWSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110644325 1209538520 /nfs/dbraw/zinc/53/85/20/1209538520.db2.gz HLMFRZZSOVUSLT-SVGFKBNWSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110644325 1209538524 /nfs/dbraw/zinc/53/85/24/1209538524.db2.gz HLMFRZZSOVUSLT-SVGFKBNWSA-N 2 2 359.474 0.980 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001110644325 1209538528 /nfs/dbraw/zinc/53/85/28/1209538528.db2.gz HLMFRZZSOVUSLT-SVGFKBNWSA-N 2 2 359.474 0.980 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670857 1209597173 /nfs/dbraw/zinc/59/71/73/1209597173.db2.gz HGDLDQHYHBJPQR-MYPMTAMASA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670857 1209597176 /nfs/dbraw/zinc/59/71/76/1209597176.db2.gz HGDLDQHYHBJPQR-MYPMTAMASA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110670857 1209597179 /nfs/dbraw/zinc/59/71/79/1209597179.db2.gz HGDLDQHYHBJPQR-MYPMTAMASA-N 2 2 365.478 0.036 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110670857 1209597183 /nfs/dbraw/zinc/59/71/83/1209597183.db2.gz HGDLDQHYHBJPQR-MYPMTAMASA-N 2 2 365.478 0.036 20 0 FCADLP CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693002 1209653154 /nfs/dbraw/zinc/65/31/54/1209653154.db2.gz AHPVRBPMIQHOJX-NYTXWWLZSA-N 2 2 367.494 0.140 20 0 FCADLP CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693002 1209653155 /nfs/dbraw/zinc/65/31/55/1209653155.db2.gz AHPVRBPMIQHOJX-NYTXWWLZSA-N 2 2 367.494 0.140 20 0 FCADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717889 1209741940 /nfs/dbraw/zinc/74/19/40/1209741940.db2.gz NPWRXWRESUJQRL-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717889 1209741944 /nfs/dbraw/zinc/74/19/44/1209741944.db2.gz NPWRXWRESUJQRL-OAGGEKHMSA-N 2 2 366.506 0.155 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110719571 1209746363 /nfs/dbraw/zinc/74/63/63/1209746363.db2.gz WDJRSPQSTXIHTB-WCXIOVBPSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110719571 1209746368 /nfs/dbraw/zinc/74/63/68/1209746368.db2.gz WDJRSPQSTXIHTB-WCXIOVBPSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110719571 1209746374 /nfs/dbraw/zinc/74/63/74/1209746374.db2.gz WDJRSPQSTXIHTB-WCXIOVBPSA-N 2 2 365.522 0.900 20 0 FCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110719571 1209746384 /nfs/dbraw/zinc/74/63/84/1209746384.db2.gz WDJRSPQSTXIHTB-WCXIOVBPSA-N 2 2 365.522 0.900 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742446 1209783288 /nfs/dbraw/zinc/78/32/88/1209783288.db2.gz HUVOLRAVSGUAMJ-HZMVEIRTSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742446 1209783293 /nfs/dbraw/zinc/78/32/93/1209783293.db2.gz HUVOLRAVSGUAMJ-HZMVEIRTSA-N 2 2 362.474 0.830 20 0 FCADLP COc1ccccc1Cn1cncc1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220969289 1225164849 /nfs/dbraw/zinc/16/48/49/1225164849.db2.gz WDFWXJGAUYZBIG-BHYGNILZSA-N 2 2 355.442 0.506 20 0 FCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220968854 1225165347 /nfs/dbraw/zinc/16/53/47/1225165347.db2.gz GFRPJHKNMITWQG-MRXNPFEDSA-N 3 2 355.442 0.365 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000861764451 1209880865 /nfs/dbraw/zinc/88/08/65/1209880865.db2.gz RLNPEBDINRPVIC-UHFFFAOYSA-N 2 2 361.490 0.645 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001220979421 1225171394 /nfs/dbraw/zinc/17/13/94/1225171394.db2.gz LDVBURAHYMAFQH-MSOLQXFVSA-N 2 2 365.449 0.852 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1O ZINC001220979421 1225171397 /nfs/dbraw/zinc/17/13/97/1225171397.db2.gz LDVBURAHYMAFQH-MSOLQXFVSA-N 2 2 365.449 0.852 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220979760 1225171489 /nfs/dbraw/zinc/17/14/89/1225171489.db2.gz UAYCWLCVZCFTMG-MSOLQXFVSA-N 2 2 358.442 0.570 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001220979760 1225171495 /nfs/dbraw/zinc/17/14/95/1225171495.db2.gz UAYCWLCVZCFTMG-MSOLQXFVSA-N 2 2 358.442 0.570 20 0 FCADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cn(C[C@H]4CCCO4)nn3)ccn2)CC1 ZINC000865416378 1209978033 /nfs/dbraw/zinc/97/80/33/1209978033.db2.gz ZGESSVBXZTXTAR-GOSISDBHSA-N 2 2 371.489 0.894 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000866215240 1209994510 /nfs/dbraw/zinc/99/45/10/1209994510.db2.gz HVJTZEIKVUBLLF-DHBDYNCWSA-N 2 2 359.470 0.628 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000866215240 1209994516 /nfs/dbraw/zinc/99/45/16/1209994516.db2.gz HVJTZEIKVUBLLF-DHBDYNCWSA-N 2 2 359.470 0.628 20 0 FCADLP COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221058391 1225202637 /nfs/dbraw/zinc/20/26/37/1225202637.db2.gz HOXBHZKIFHAQSQ-LVCYWYKZSA-N 2 2 367.449 0.992 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876919660 1210434108 /nfs/dbraw/zinc/43/41/08/1210434108.db2.gz WZFRWZMIURQPJZ-ZZXKWVIFSA-N 2 2 374.485 0.798 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3c(C[NH3+])cnn3C)C2)c1 ZINC000877249513 1210441631 /nfs/dbraw/zinc/44/16/31/1210441631.db2.gz WKQMVTYKBWBJFP-QGZVFWFLSA-N 2 2 357.458 0.818 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3c(C[NH3+])cnn3C)C2)c1 ZINC000877249513 1210441633 /nfs/dbraw/zinc/44/16/33/1210441633.db2.gz WKQMVTYKBWBJFP-QGZVFWFLSA-N 2 2 357.458 0.818 20 0 FCADLP CC(C)C[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)n1cc[nH+]c1 ZINC000877260296 1210441686 /nfs/dbraw/zinc/44/16/86/1210441686.db2.gz XJHILWXFZPIRQA-QXSJWSMHSA-N 2 2 361.446 0.864 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081661 1225213213 /nfs/dbraw/zinc/21/32/13/1225213213.db2.gz RSJHRSUOHIHGPY-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)C1=O ZINC001221081661 1225213216 /nfs/dbraw/zinc/21/32/16/1225213216.db2.gz RSJHRSUOHIHGPY-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079304 1225213929 /nfs/dbraw/zinc/21/39/29/1225213929.db2.gz SRKDSRYPTYRILK-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079304 1225213935 /nfs/dbraw/zinc/21/39/35/1225213935.db2.gz SRKDSRYPTYRILK-SJORKVTESA-N 2 2 362.474 0.628 20 0 FCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000878848821 1210467551 /nfs/dbraw/zinc/46/75/51/1210467551.db2.gz CVNIKVSEYREGNR-RDJZCZTQSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@H]2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000878848821 1210467552 /nfs/dbraw/zinc/46/75/52/1210467552.db2.gz CVNIKVSEYREGNR-RDJZCZTQSA-N 2 2 362.478 0.773 20 0 FCADLP COc1cccc(C2(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC[NH2+]CC2)c1 ZINC001221094198 1225219809 /nfs/dbraw/zinc/21/98/09/1225219809.db2.gz LJUAZIIJQLDSBU-KRWDZBQOSA-N 3 2 357.458 0.694 20 0 FCADLP COC[C@@H]([NH3+])Cc1cn(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000881343366 1210585592 /nfs/dbraw/zinc/58/55/92/1210585592.db2.gz KJVBCZJIOGVKRO-AWEZNQCLSA-N 2 2 368.482 0.347 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000882636445 1210631674 /nfs/dbraw/zinc/63/16/74/1210631674.db2.gz RILSWYYNNOOQCR-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000882636445 1210631679 /nfs/dbraw/zinc/63/16/79/1210631679.db2.gz RILSWYYNNOOQCR-IRXDYDNUSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCCC[NH+]1CCCC1 ZINC000800221537 1210713420 /nfs/dbraw/zinc/71/34/20/1210713420.db2.gz VOYSAUVLHJVLTB-QGZVFWFLSA-N 2 2 367.490 0.729 20 0 FCADLP COC(=O)N[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000884124148 1210716116 /nfs/dbraw/zinc/71/61/16/1210716116.db2.gz ORAMVKVCHVXQIC-HNNXBMFYSA-N 2 2 367.494 0.685 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884192891 1210721340 /nfs/dbraw/zinc/72/13/40/1210721340.db2.gz QGYCTAQEXNZHIF-UHFFFAOYSA-N 2 2 354.458 0.997 20 0 FCADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000884252677 1210726587 /nfs/dbraw/zinc/72/65/87/1210726587.db2.gz PVRPASVEKMGLEM-RDJZCZTQSA-N 2 2 370.453 0.725 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000884313186 1210729090 /nfs/dbraw/zinc/72/90/90/1210729090.db2.gz YRBZRHBLAWVOTQ-IYBDPMFKSA-N 2 2 361.490 0.672 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000884313186 1210729094 /nfs/dbraw/zinc/72/90/94/1210729094.db2.gz YRBZRHBLAWVOTQ-IYBDPMFKSA-N 2 2 361.490 0.672 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884643580 1210771705 /nfs/dbraw/zinc/77/17/05/1210771705.db2.gz LSPOFWQQQKGFOK-OAHLLOKOSA-N 2 2 357.458 0.521 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000884686688 1210780779 /nfs/dbraw/zinc/78/07/79/1210780779.db2.gz SSKNMMHETVLHIA-UHFFFAOYSA-N 2 2 355.442 0.540 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884886393 1210802969 /nfs/dbraw/zinc/80/29/69/1210802969.db2.gz LDXREBAUFFTJTG-SJORKVTESA-N 2 2 369.469 0.812 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000884926505 1210804188 /nfs/dbraw/zinc/80/41/88/1210804188.db2.gz YEZZZNSXBWZWBJ-ULQDDVLXSA-N 2 2 366.506 0.333 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1cc[nH+]c1 ZINC000885010727 1210807778 /nfs/dbraw/zinc/80/77/78/1210807778.db2.gz SDJQHTVZDCMWGF-UUAJXVIYSA-N 2 2 359.474 0.939 20 0 FCADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000885005052 1210807872 /nfs/dbraw/zinc/80/78/72/1210807872.db2.gz QOFJDLZEHVELOL-REPLKXPHSA-N 2 2 370.497 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000885226913 1210815881 /nfs/dbraw/zinc/81/58/81/1210815881.db2.gz CSDJAGVPVJHEGZ-INMHGKMJSA-N 2 2 355.442 0.949 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000885226910 1210815918 /nfs/dbraw/zinc/81/59/18/1210815918.db2.gz CSDJAGVPVJHEGZ-BFYDXBDKSA-N 2 2 355.442 0.949 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885226861 1210816044 /nfs/dbraw/zinc/81/60/44/1210816044.db2.gz CJENSGLAGLSQBH-BBWFWOEESA-N 2 2 353.426 0.418 20 0 FCADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000885227043 1210816059 /nfs/dbraw/zinc/81/60/59/1210816059.db2.gz DYZCOAIZOUAZEV-XLIONFOSSA-N 2 2 367.453 0.953 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000885227730 1210816324 /nfs/dbraw/zinc/81/63/24/1210816324.db2.gz MHQGPQWCCJNUQN-HYVNUMGLSA-N 2 2 355.442 0.936 20 0 FCADLP O=C(NCc1ccnc(N2CCCCCC2=O)c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221152451 1225242424 /nfs/dbraw/zinc/24/24/24/1225242424.db2.gz YLGJHPCLXVPNCI-DNVCBOLYSA-N 2 2 357.458 0.556 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCCNC3=O)nc2)cc1 ZINC001221155115 1225242756 /nfs/dbraw/zinc/24/27/56/1225242756.db2.gz GZWBMWCPCVCRAE-INIZCTEOSA-N 2 2 368.441 0.890 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000887079756 1210846033 /nfs/dbraw/zinc/84/60/33/1210846033.db2.gz YRKFLMNHOXBBJB-LJQANCHMSA-N 2 2 366.506 0.159 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000887130589 1210849147 /nfs/dbraw/zinc/84/91/47/1210849147.db2.gz HGOYKNROPMHNQV-INIZCTEOSA-N 2 2 371.485 0.673 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000887130589 1210849149 /nfs/dbraw/zinc/84/91/49/1210849149.db2.gz HGOYKNROPMHNQV-INIZCTEOSA-N 2 2 371.485 0.673 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162826 1225247845 /nfs/dbraw/zinc/24/78/45/1225247845.db2.gz HWSUVCJUKLCGMA-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162826 1225247848 /nfs/dbraw/zinc/24/78/48/1225247848.db2.gz HWSUVCJUKLCGMA-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162826 1225247852 /nfs/dbraw/zinc/24/78/52/1225247852.db2.gz HWSUVCJUKLCGMA-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162826 1225247856 /nfs/dbraw/zinc/24/78/56/1225247856.db2.gz HWSUVCJUKLCGMA-MOPGFXCFSA-N 2 2 371.485 0.256 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)[C@H]4[C@@H](O)CCCN4C3=O)CC2)CC1 ZINC000349350744 1210866244 /nfs/dbraw/zinc/86/62/44/1210866244.db2.gz VZEUHXWHQKBBFG-JKSUJKDBSA-N 2 2 350.463 0.333 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001221161690 1225246616 /nfs/dbraw/zinc/24/66/16/1225246616.db2.gz ZPZGUXPHCPMUAC-ZACQAIPSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1O ZINC001221161690 1225246620 /nfs/dbraw/zinc/24/66/20/1225246620.db2.gz ZPZGUXPHCPMUAC-ZACQAIPSSA-N 2 2 366.462 0.020 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3N=NC(=O)N3C)CC2)CC1 ZINC000889570338 1210941811 /nfs/dbraw/zinc/94/18/11/1210941811.db2.gz NGRVJEHRMWULAN-UHFFFAOYSA-N 2 2 365.482 0.222 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3N=NC(=O)N3C)CC2)CC1 ZINC000889570338 1210941818 /nfs/dbraw/zinc/94/18/18/1210941818.db2.gz NGRVJEHRMWULAN-UHFFFAOYSA-N 2 2 365.482 0.222 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH+]ccn2C)C3)n1 ZINC001110845392 1210992813 /nfs/dbraw/zinc/99/28/13/1210992813.db2.gz DMPFVWNCGKFFPW-ZACQAIPSSA-N 2 2 371.489 0.983 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH+]ccn2C)C3)n1 ZINC001110845392 1210992814 /nfs/dbraw/zinc/99/28/14/1210992814.db2.gz DMPFVWNCGKFFPW-ZACQAIPSSA-N 2 2 371.489 0.983 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877501 1211007437 /nfs/dbraw/zinc/00/74/37/1211007437.db2.gz UUTSSNHWKFAROV-OAGGEKHMSA-N 2 2 362.478 0.702 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877501 1211007439 /nfs/dbraw/zinc/00/74/39/1211007439.db2.gz UUTSSNHWKFAROV-OAGGEKHMSA-N 2 2 362.478 0.702 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397854 1211044292 /nfs/dbraw/zinc/04/42/92/1211044292.db2.gz UVFPRASIDDYQME-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397854 1211044295 /nfs/dbraw/zinc/04/42/95/1211044295.db2.gz UVFPRASIDDYQME-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397854 1211044298 /nfs/dbraw/zinc/04/42/98/1211044298.db2.gz UVFPRASIDDYQME-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCn4ccnc4)C[C@H](C2)O3)C1 ZINC001274397854 1211044302 /nfs/dbraw/zinc/04/43/02/1211044302.db2.gz UVFPRASIDDYQME-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001274397917 1211044499 /nfs/dbraw/zinc/04/44/99/1211044499.db2.gz VZJVKMKYXUUXNO-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)C1 ZINC001274397917 1211044503 /nfs/dbraw/zinc/04/45/03/1211044503.db2.gz VZJVKMKYXUUXNO-KURKYZTESA-N 2 2 361.490 0.525 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2CC[C@H]3C[N@H+](Cc4cn[nH]c4)C[C@H]32)CC1 ZINC001274513459 1211071808 /nfs/dbraw/zinc/07/18/08/1211071808.db2.gz DBMRRTWFBVIXPB-ZWKOTPCHSA-N 2 2 360.506 0.470 20 0 FCADLP CN1CC[NH+](CCCC(=O)N2CC[C@H]3C[N@@H+](Cc4cn[nH]c4)C[C@H]32)CC1 ZINC001274513459 1211071809 /nfs/dbraw/zinc/07/18/09/1211071809.db2.gz DBMRRTWFBVIXPB-ZWKOTPCHSA-N 2 2 360.506 0.470 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2CC[C@H]3C[N@H+](Cc4cn[nH]c4)C[C@H]32)CC1 ZINC001274513459 1211071811 /nfs/dbraw/zinc/07/18/11/1211071811.db2.gz DBMRRTWFBVIXPB-ZWKOTPCHSA-N 2 2 360.506 0.470 20 0 FCADLP C[NH+]1CCN(CCCC(=O)N2CC[C@H]3C[N@@H+](Cc4cn[nH]c4)C[C@H]32)CC1 ZINC001274513459 1211071812 /nfs/dbraw/zinc/07/18/12/1211071812.db2.gz DBMRRTWFBVIXPB-ZWKOTPCHSA-N 2 2 360.506 0.470 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001274574933 1211083401 /nfs/dbraw/zinc/08/34/01/1211083401.db2.gz JVPJXQGBNCRNSC-MDZRGWNJSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001274574933 1211083402 /nfs/dbraw/zinc/08/34/02/1211083402.db2.gz JVPJXQGBNCRNSC-MDZRGWNJSA-N 2 2 366.506 0.108 20 0 FCADLP COCCOC[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)CC2)C1 ZINC001274908724 1211142287 /nfs/dbraw/zinc/14/22/87/1211142287.db2.gz NWYSRYUJJQHDDJ-IRXDYDNUSA-N 2 2 369.506 0.377 20 0 FCADLP COCCOC[N@H+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)CC2)C1 ZINC001274908724 1211142290 /nfs/dbraw/zinc/14/22/90/1211142290.db2.gz NWYSRYUJJQHDDJ-IRXDYDNUSA-N 2 2 369.506 0.377 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)CC2)C1 ZINC001274908724 1211142292 /nfs/dbraw/zinc/14/22/92/1211142292.db2.gz NWYSRYUJJQHDDJ-IRXDYDNUSA-N 2 2 369.506 0.377 20 0 FCADLP COCCOC[NH+]1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)CC2)C1 ZINC001274908724 1211142295 /nfs/dbraw/zinc/14/22/95/1211142295.db2.gz NWYSRYUJJQHDDJ-IRXDYDNUSA-N 2 2 369.506 0.377 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@@]2(C1)C[NH+](C)CCO2 ZINC001275154889 1211182954 /nfs/dbraw/zinc/18/29/54/1211182954.db2.gz MEPFXDGSDVZMFZ-ICSRJNTNSA-N 2 2 361.486 0.803 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@@]2(C1)C[NH+](C)CCO2 ZINC001275154889 1211182955 /nfs/dbraw/zinc/18/29/55/1211182955.db2.gz MEPFXDGSDVZMFZ-ICSRJNTNSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001275154889 1211182958 /nfs/dbraw/zinc/18/29/58/1211182958.db2.gz MEPFXDGSDVZMFZ-ICSRJNTNSA-N 2 2 361.486 0.803 20 0 FCADLP C[NH+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001275154889 1211182960 /nfs/dbraw/zinc/18/29/60/1211182960.db2.gz MEPFXDGSDVZMFZ-ICSRJNTNSA-N 2 2 361.486 0.803 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161824 1211185193 /nfs/dbraw/zinc/18/51/93/1211185193.db2.gz JQIIWLRREFYJQP-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP CN1CC[NH+](CCCN2CC[C@@]3(CC[N@@H+](Cc4cc[nH]n4)C3)C2=O)CC1 ZINC001275161824 1211185197 /nfs/dbraw/zinc/18/51/97/1211185197.db2.gz JQIIWLRREFYJQP-LJQANCHMSA-N 2 2 360.506 0.472 20 0 FCADLP COCCOC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)CC2 ZINC001275171123 1211188161 /nfs/dbraw/zinc/18/81/61/1211188161.db2.gz DRZYVNQOLMOSLL-KRWDZBQOSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCN1C)CC2 ZINC001275171123 1211188163 /nfs/dbraw/zinc/18/81/63/1211188163.db2.gz DRZYVNQOLMOSLL-KRWDZBQOSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001275171123 1211188166 /nfs/dbraw/zinc/18/81/66/1211188166.db2.gz DRZYVNQOLMOSLL-KRWDZBQOSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001275171123 1211188169 /nfs/dbraw/zinc/18/81/69/1211188169.db2.gz DRZYVNQOLMOSLL-KRWDZBQOSA-N 2 2 368.522 0.167 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172260 1211188650 /nfs/dbraw/zinc/18/86/50/1211188650.db2.gz UCVKJNHPMXCKMD-UAGQMJEPSA-N 2 2 359.474 0.066 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172260 1211188655 /nfs/dbraw/zinc/18/86/55/1211188655.db2.gz UCVKJNHPMXCKMD-UAGQMJEPSA-N 2 2 359.474 0.066 20 0 FCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172260 1211188658 /nfs/dbraw/zinc/18/86/58/1211188658.db2.gz UCVKJNHPMXCKMD-UAGQMJEPSA-N 2 2 359.474 0.066 20 0 FCADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001275172260 1211188661 /nfs/dbraw/zinc/18/86/61/1211188661.db2.gz UCVKJNHPMXCKMD-UAGQMJEPSA-N 2 2 359.474 0.066 20 0 FCADLP O=C1CO[C@]2(CC[N@H+](CCCC3OCCO3)C2)CN1CCn1cc[nH+]c1 ZINC001275294466 1211210853 /nfs/dbraw/zinc/21/08/53/1211210853.db2.gz WIIVHIREFPFAJY-SFHVURJKSA-N 2 2 364.446 0.340 20 0 FCADLP O=C1CO[C@]2(CC[N@@H+](CCCC3OCCO3)C2)CN1CCn1cc[nH+]c1 ZINC001275294466 1211210855 /nfs/dbraw/zinc/21/08/55/1211210855.db2.gz WIIVHIREFPFAJY-SFHVURJKSA-N 2 2 364.446 0.340 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275372842 1211225714 /nfs/dbraw/zinc/22/57/14/1211225714.db2.gz PXQJOKRQBXCHGE-GOSISDBHSA-N 2 2 356.430 0.485 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275372842 1211225715 /nfs/dbraw/zinc/22/57/15/1211225715.db2.gz PXQJOKRQBXCHGE-GOSISDBHSA-N 2 2 356.430 0.485 20 0 FCADLP O=C1CO[C@@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)CN1CCn1cc[nH+]c1 ZINC001275421685 1211233574 /nfs/dbraw/zinc/23/35/74/1211233574.db2.gz MBRLJKOZEDALPL-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP O=C1CO[C@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)CN1CCn1cc[nH+]c1 ZINC001275421686 1211233819 /nfs/dbraw/zinc/23/38/19/1211233819.db2.gz MBRLJKOZEDALPL-SFHVURJKSA-N 2 2 357.414 0.487 20 0 FCADLP Nc1cc[nH+]cc1CN1C[C@@]2(F)C(=O)N(CCn3cc[nH+]c3)C[C@@]2(F)C1 ZINC001275455654 1211241874 /nfs/dbraw/zinc/24/18/74/1211241874.db2.gz NYHSZDHOJGLACL-DLBZAZTESA-N 2 2 362.384 0.465 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001275455423 1211242260 /nfs/dbraw/zinc/24/22/60/1211242260.db2.gz KNILRODGDPUIOS-YJBOKZPZSA-N 2 2 362.430 0.249 20 0 FCADLP CN1C[C@]2(CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)OCC1=O ZINC001275642033 1211267746 /nfs/dbraw/zinc/26/77/46/1211267746.db2.gz RGQIXPYOMVUGRS-FQEVSTJZSA-N 2 2 359.470 0.952 20 0 FCADLP CN1C[C@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)OCC1=O ZINC001275642033 1211267747 /nfs/dbraw/zinc/26/77/47/1211267747.db2.gz RGQIXPYOMVUGRS-FQEVSTJZSA-N 2 2 359.470 0.952 20 0 FCADLP C[NH+]1CCC(CC[NH+]2CC3(C2)COCC(=O)N3CCn2cc[nH+]c2)CC1 ZINC001275743754 1211280052 /nfs/dbraw/zinc/28/00/52/1211280052.db2.gz XABIQSSHZSZOOY-UHFFFAOYSA-N 3 2 361.490 0.528 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@H+](C[C@@H]1CCCOC1)C2 ZINC001275743516 1211280221 /nfs/dbraw/zinc/28/02/21/1211280221.db2.gz SJRYXZGEYHKSNE-HKUYNNGSSA-N 2 2 362.474 0.861 20 0 FCADLP O=C1C[C@]2(CN1CCn1cc[nH+]c1)COCC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001275743516 1211280224 /nfs/dbraw/zinc/28/02/24/1211280224.db2.gz SJRYXZGEYHKSNE-HKUYNNGSSA-N 2 2 362.474 0.861 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](Cc3cccnn3)C2)C1=O ZINC001276037402 1211328329 /nfs/dbraw/zinc/32/83/29/1211328329.db2.gz HVKLWYSZKBXXRW-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cccnn3)C2)C1=O ZINC001276037402 1211328330 /nfs/dbraw/zinc/32/83/30/1211328330.db2.gz HVKLWYSZKBXXRW-GOSISDBHSA-N 2 2 354.414 0.751 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](Cc3ccnnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276039650 1211336423 /nfs/dbraw/zinc/33/64/23/1211336423.db2.gz DTLCEXUZTAUFSC-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](Cc3ccnnc3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276039650 1211336425 /nfs/dbraw/zinc/33/64/25/1211336425.db2.gz DTLCEXUZTAUFSC-SFHVURJKSA-N 2 2 354.414 0.714 20 0 FCADLP Nc1nccnc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276050083 1211340652 /nfs/dbraw/zinc/34/06/52/1211340652.db2.gz XRBKBUJUWYNMGS-SFHVURJKSA-N 2 2 355.446 0.913 20 0 FCADLP Nc1nccnc1C[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276050083 1211340655 /nfs/dbraw/zinc/34/06/55/1211340655.db2.gz XRBKBUJUWYNMGS-SFHVURJKSA-N 2 2 355.446 0.913 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001095641256 1211432739 /nfs/dbraw/zinc/43/27/39/1211432739.db2.gz ZFDYMYYEZRBOPE-MVJTYMMSSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001095641256 1211432741 /nfs/dbraw/zinc/43/27/41/1211432741.db2.gz ZFDYMYYEZRBOPE-MVJTYMMSSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001095646169 1211433762 /nfs/dbraw/zinc/43/37/62/1211433762.db2.gz SPUWHMNLCDEEDK-JHNDHUHGSA-N 2 2 372.473 0.192 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001095646169 1211433764 /nfs/dbraw/zinc/43/37/64/1211433764.db2.gz SPUWHMNLCDEEDK-JHNDHUHGSA-N 2 2 372.473 0.192 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCn2cccn2)no1 ZINC001095659726 1211436847 /nfs/dbraw/zinc/43/68/47/1211436847.db2.gz SMEIHGHXPQIALM-KMFMINBZSA-N 2 2 358.446 0.968 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)no1 ZINC001095659726 1211436849 /nfs/dbraw/zinc/43/68/49/1211436849.db2.gz SMEIHGHXPQIALM-KMFMINBZSA-N 2 2 358.446 0.968 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946978961 1211464182 /nfs/dbraw/zinc/46/41/82/1211464182.db2.gz DNZWXFOQVVFACC-BZUAXINKSA-N 2 2 363.462 0.169 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946978961 1211464184 /nfs/dbraw/zinc/46/41/84/1211464184.db2.gz DNZWXFOQVVFACC-BZUAXINKSA-N 2 2 363.462 0.169 20 0 FCADLP CO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946979017 1211464680 /nfs/dbraw/zinc/46/46/80/1211464680.db2.gz GUNSONXUEXFKKV-ARFHVFGLSA-N 2 2 363.462 0.169 20 0 FCADLP CO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946979017 1211464684 /nfs/dbraw/zinc/46/46/84/1211464684.db2.gz GUNSONXUEXFKKV-ARFHVFGLSA-N 2 2 363.462 0.169 20 0 FCADLP CN1CC[N@H+](CCCN2C(=O)N[C@H](C[NH+](C)C)C2=O)[C@H](c2ccccc2)C1 ZINC000924472321 1211471040 /nfs/dbraw/zinc/47/10/40/1211471040.db2.gz DIEHLAUMRZBJHO-MSOLQXFVSA-N 2 2 373.501 0.847 20 0 FCADLP CN1CC[N@@H+](CCCN2C(=O)N[C@H](C[NH+](C)C)C2=O)[C@H](c2ccccc2)C1 ZINC000924472321 1211471042 /nfs/dbraw/zinc/47/10/42/1211471042.db2.gz DIEHLAUMRZBJHO-MSOLQXFVSA-N 2 2 373.501 0.847 20 0 FCADLP CNC(=O)C1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000074322767 1211495408 /nfs/dbraw/zinc/49/54/08/1211495408.db2.gz DTKRBYSCCQDJIE-UHFFFAOYSA-N 2 2 359.474 0.769 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001221311820 1225294212 /nfs/dbraw/zinc/29/42/12/1225294212.db2.gz MAAKYVUAGVQGPA-CYBMUJFWSA-N 2 2 355.354 0.980 20 0 FCADLP COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C2 ZINC001221320892 1225296551 /nfs/dbraw/zinc/29/65/51/1225296551.db2.gz HTLRMVNQYYQVQC-DYVFJYSZSA-N 2 2 362.474 0.113 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nnc(C)o1 ZINC001221336400 1225300577 /nfs/dbraw/zinc/30/05/77/1225300577.db2.gz KURQLYGUAJCXAE-ONUSSAAZSA-N 2 2 357.414 0.814 20 0 FCADLP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110940904 1211598121 /nfs/dbraw/zinc/59/81/21/1211598121.db2.gz HCATWYRXXMKCRD-WCXIOVBPSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110940904 1211598124 /nfs/dbraw/zinc/59/81/24/1211598124.db2.gz HCATWYRXXMKCRD-WCXIOVBPSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110940904 1211598127 /nfs/dbraw/zinc/59/81/27/1211598127.db2.gz HCATWYRXXMKCRD-WCXIOVBPSA-N 2 2 366.506 0.343 20 0 FCADLP CCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110940904 1211598129 /nfs/dbraw/zinc/59/81/29/1211598129.db2.gz HCATWYRXXMKCRD-WCXIOVBPSA-N 2 2 366.506 0.343 20 0 FCADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000929504491 1211642610 /nfs/dbraw/zinc/64/26/10/1211642610.db2.gz PCEZWKBMWJNOIF-UHFFFAOYSA-N 2 2 356.430 0.777 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[NH+]3C)c2)CCO1 ZINC000929730281 1211657852 /nfs/dbraw/zinc/65/78/52/1211657852.db2.gz AHROZXYEYVRCEG-QAPCUYQASA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[NH+]3C)c2)CCO1 ZINC000929730281 1211657854 /nfs/dbraw/zinc/65/78/54/1211657854.db2.gz AHROZXYEYVRCEG-QAPCUYQASA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)c2)CCO1 ZINC000929730281 1211657857 /nfs/dbraw/zinc/65/78/57/1211657857.db2.gz AHROZXYEYVRCEG-QAPCUYQASA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)c2)CCO1 ZINC000929730281 1211657859 /nfs/dbraw/zinc/65/78/59/1211657859.db2.gz AHROZXYEYVRCEG-QAPCUYQASA-N 2 2 374.485 0.344 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC(O)(C[NH+](C)C)CC3)cc2C1=O ZINC000931484287 1211757905 /nfs/dbraw/zinc/75/79/05/1211757905.db2.gz RIRIEXQMABOQJH-UHFFFAOYSA-N 2 2 374.441 0.239 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111026916 1211800516 /nfs/dbraw/zinc/80/05/16/1211800516.db2.gz ZWKPYALTTVNIFF-IDCNUPLLSA-N 2 2 373.501 0.954 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111026916 1211800517 /nfs/dbraw/zinc/80/05/17/1211800517.db2.gz ZWKPYALTTVNIFF-IDCNUPLLSA-N 2 2 373.501 0.954 20 0 FCADLP CC[N@H+](CCC(=O)NC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000933866082 1211850210 /nfs/dbraw/zinc/85/02/10/1211850210.db2.gz KUYAVVAPDMZXBE-UHFFFAOYSA-N 2 2 362.474 0.915 20 0 FCADLP CC[N@@H+](CCC(=O)NC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000933866082 1211850212 /nfs/dbraw/zinc/85/02/12/1211850212.db2.gz KUYAVVAPDMZXBE-UHFFFAOYSA-N 2 2 362.474 0.915 20 0 FCADLP O=C(CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000933971188 1211853587 /nfs/dbraw/zinc/85/35/87/1211853587.db2.gz HSQWWWJXOAIWJJ-DLBZAZTESA-N 2 2 360.458 0.610 20 0 FCADLP O=C(CC[N@H+]1CCO[C@@H]2COCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000933971188 1211853588 /nfs/dbraw/zinc/85/35/88/1211853588.db2.gz HSQWWWJXOAIWJJ-DLBZAZTESA-N 2 2 360.458 0.610 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147352 1211899778 /nfs/dbraw/zinc/89/97/78/1211899778.db2.gz XDQWQKKJHBITIM-ZACQAIPSSA-N 2 2 366.506 0.347 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147352 1211899780 /nfs/dbraw/zinc/89/97/80/1211899780.db2.gz XDQWQKKJHBITIM-ZACQAIPSSA-N 2 2 366.506 0.347 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001111150210 1211901007 /nfs/dbraw/zinc/90/10/07/1211901007.db2.gz KFCFVGVKYKPIHM-WCXIOVBPSA-N 2 2 359.474 0.924 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001111150210 1211901009 /nfs/dbraw/zinc/90/10/09/1211901009.db2.gz KFCFVGVKYKPIHM-WCXIOVBPSA-N 2 2 359.474 0.924 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111151818 1211901573 /nfs/dbraw/zinc/90/15/73/1211901573.db2.gz JXXDWSUISSBDMY-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111151818 1211901574 /nfs/dbraw/zinc/90/15/74/1211901574.db2.gz JXXDWSUISSBDMY-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO[C@H]1CC1(F)F ZINC001111151938 1211902032 /nfs/dbraw/zinc/90/20/32/1211902032.db2.gz MRAUFKCHJOPNKY-WCVJEAGWSA-N 2 2 373.444 0.854 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO[C@H]1CC1(F)F ZINC001111151938 1211902036 /nfs/dbraw/zinc/90/20/36/1211902036.db2.gz MRAUFKCHJOPNKY-WCVJEAGWSA-N 2 2 373.444 0.854 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169444 1211910425 /nfs/dbraw/zinc/91/04/25/1211910425.db2.gz UJMRKLUZPHKGOP-YJNKXOJESA-N 2 2 367.494 0.284 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC1 ZINC001111179637 1211913544 /nfs/dbraw/zinc/91/35/44/1211913544.db2.gz PYDOGYGDQRRBQC-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC1 ZINC001111179637 1211913547 /nfs/dbraw/zinc/91/35/47/1211913547.db2.gz PYDOGYGDQRRBQC-KURKYZTESA-N 2 2 362.518 0.966 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000156159436 1211920030 /nfs/dbraw/zinc/92/00/30/1211920030.db2.gz INPQNJICTKXKGW-UHFFFAOYSA-N 2 2 362.478 0.148 20 0 FCADLP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111221965 1211932713 /nfs/dbraw/zinc/93/27/13/1211932713.db2.gz ILPDTZCWWDZYCQ-KONPQCLYSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111221965 1211932714 /nfs/dbraw/zinc/93/27/14/1211932714.db2.gz ILPDTZCWWDZYCQ-KONPQCLYSA-N 2 2 371.441 0.610 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000600980860 1211952179 /nfs/dbraw/zinc/95/21/79/1211952179.db2.gz LWLMWMOLTCAHOG-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000600980860 1211952188 /nfs/dbraw/zinc/95/21/88/1211952188.db2.gz LWLMWMOLTCAHOG-SFHVURJKSA-N 2 2 358.486 0.931 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)N1CCC1 ZINC001095766752 1211980611 /nfs/dbraw/zinc/98/06/11/1211980611.db2.gz QZYQGMCUWANNJH-PVAVHDDUSA-N 2 2 353.426 0.902 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2)N1CCC1 ZINC001095766752 1211980625 /nfs/dbraw/zinc/98/06/25/1211980625.db2.gz QZYQGMCUWANNJH-PVAVHDDUSA-N 2 2 353.426 0.902 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)c[nH+]1 ZINC000947965035 1212104711 /nfs/dbraw/zinc/10/47/11/1212104711.db2.gz PDKHXKXZCVUESR-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)c[nH+]1 ZINC000947965035 1212104717 /nfs/dbraw/zinc/10/47/17/1212104717.db2.gz PDKHXKXZCVUESR-FVQBIDKESA-N 2 2 361.490 0.984 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nnnn1C1CC1 ZINC000188743826 1212111211 /nfs/dbraw/zinc/11/12/11/1212111211.db2.gz PQJNOWRMWOIEAG-CYBMUJFWSA-N 2 2 364.498 0.736 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnnn1C1CC1 ZINC000188743826 1212111215 /nfs/dbraw/zinc/11/12/15/1212111215.db2.gz PQJNOWRMWOIEAG-CYBMUJFWSA-N 2 2 364.498 0.736 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000948417792 1212171474 /nfs/dbraw/zinc/17/14/74/1212171474.db2.gz IIYUJFCHLDVJHI-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000948417792 1212171477 /nfs/dbraw/zinc/17/14/77/1212171477.db2.gz IIYUJFCHLDVJHI-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000948417792 1212171482 /nfs/dbraw/zinc/17/14/82/1212171482.db2.gz IIYUJFCHLDVJHI-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000948417792 1212171486 /nfs/dbraw/zinc/17/14/86/1212171486.db2.gz IIYUJFCHLDVJHI-NUEKZKHPSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC3(CC[NH+](Cc4cnon4)CC3)C2)CC[N@@H+]1C ZINC000949098949 1212291384 /nfs/dbraw/zinc/29/13/84/1212291384.db2.gz NDNVUNHIHISFKF-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCOC3(CC[NH+](Cc4cnon4)CC3)C2)CC[N@H+]1C ZINC000949098949 1212291395 /nfs/dbraw/zinc/29/13/95/1212291395.db2.gz NDNVUNHIHISFKF-GDBMZVCRSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000949208197 1212325212 /nfs/dbraw/zinc/32/52/12/1212325212.db2.gz HWIRABADRURHPC-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001221551969 1225364246 /nfs/dbraw/zinc/36/42/46/1225364246.db2.gz ZOWAOHSDWXYCNU-IXDOHACOSA-N 2 2 358.442 0.796 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@@H]2C1 ZINC001221551969 1225364252 /nfs/dbraw/zinc/36/42/52/1225364252.db2.gz ZOWAOHSDWXYCNU-IXDOHACOSA-N 2 2 358.442 0.796 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949838973 1212469872 /nfs/dbraw/zinc/46/98/72/1212469872.db2.gz XWVMUIAPDVFUHT-DJIMGWMZSA-N 2 2 361.490 0.800 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000949838973 1212469879 /nfs/dbraw/zinc/46/98/79/1212469879.db2.gz XWVMUIAPDVFUHT-DJIMGWMZSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001007481453 1212503356 /nfs/dbraw/zinc/50/33/56/1212503356.db2.gz JUGMUPPPDREVIP-LPHOPBHVSA-N 2 2 359.474 0.785 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001007695957 1212556167 /nfs/dbraw/zinc/55/61/67/1212556167.db2.gz KTUMWZPQVKSPFH-LPHOPBHVSA-N 2 2 359.474 0.722 20 0 FCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC000950618335 1212608610 /nfs/dbraw/zinc/60/86/10/1212608610.db2.gz CYZARGMXUSQOGC-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP 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CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001095863191 1212973021 /nfs/dbraw/zinc/97/30/21/1212973021.db2.gz ANTQMYYQACRPPP-CBBWQLFWSA-N 2 2 362.474 0.388 20 0 FCADLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001095863191 1212973024 /nfs/dbraw/zinc/97/30/24/1212973024.db2.gz ANTQMYYQACRPPP-CBBWQLFWSA-N 2 2 362.474 0.388 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001111408161 1212993073 /nfs/dbraw/zinc/99/30/73/1212993073.db2.gz LHSYJIICVRMYSW-OAGGEKHMSA-N 2 2 362.478 0.621 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001111408161 1212993074 /nfs/dbraw/zinc/99/30/74/1212993074.db2.gz LHSYJIICVRMYSW-OAGGEKHMSA-N 2 2 362.478 0.621 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001111407859 1212993365 /nfs/dbraw/zinc/99/33/65/1212993365.db2.gz WZWGDWDJGSWOST-ABFRBSLYSA-N 2 2 360.458 0.569 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001111407859 1212993371 /nfs/dbraw/zinc/99/33/71/1212993371.db2.gz WZWGDWDJGSWOST-ABFRBSLYSA-N 2 2 360.458 0.569 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)C1 ZINC001111407859 1212993375 /nfs/dbraw/zinc/99/33/75/1212993375.db2.gz WZWGDWDJGSWOST-ABFRBSLYSA-N 2 2 360.458 0.569 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)C1 ZINC001111407859 1212993377 /nfs/dbraw/zinc/99/33/77/1212993377.db2.gz WZWGDWDJGSWOST-ABFRBSLYSA-N 2 2 360.458 0.569 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001221657454 1225421286 /nfs/dbraw/zinc/42/12/86/1225421286.db2.gz XFMNMFAKYGHQKN-JFIYKMOQSA-N 2 2 371.485 0.504 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1)C1CC1 ZINC001221657454 1225421295 /nfs/dbraw/zinc/42/12/95/1225421295.db2.gz XFMNMFAKYGHQKN-JFIYKMOQSA-N 2 2 371.485 0.504 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@H]3CC[N@H+](CCOCCO)C[C@H]31)C2 ZINC001221657084 1225421944 /nfs/dbraw/zinc/42/19/44/1225421944.db2.gz JDKTUQOEYSVWLL-HDMKZQKVSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@H]3CC[N@@H+](CCOCCO)C[C@H]31)C2 ZINC001221657084 1225421947 /nfs/dbraw/zinc/42/19/47/1225421947.db2.gz JDKTUQOEYSVWLL-HDMKZQKVSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@H]3CC[N@H+](CCOCCO)C[C@H]31)CC2 ZINC001221657084 1225421950 /nfs/dbraw/zinc/42/19/50/1225421950.db2.gz JDKTUQOEYSVWLL-HDMKZQKVSA-N 2 2 362.474 0.365 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](CCOCCO)C[C@H]31)CC2 ZINC001221657084 1225421953 /nfs/dbraw/zinc/42/19/53/1225421953.db2.gz JDKTUQOEYSVWLL-HDMKZQKVSA-N 2 2 362.474 0.365 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)Cn3cncn3)CC2)CC1 ZINC001221666255 1225426254 /nfs/dbraw/zinc/42/62/54/1225426254.db2.gz LCAKTOPVVAPTGT-INIZCTEOSA-N 2 2 363.510 0.868 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)Cn3cncn3)CC2)CC1 ZINC001221666255 1225426256 /nfs/dbraw/zinc/42/62/56/1225426256.db2.gz LCAKTOPVVAPTGT-INIZCTEOSA-N 2 2 363.510 0.868 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000956378504 1213188636 /nfs/dbraw/zinc/18/86/36/1213188636.db2.gz MDMSOCYAKQNFIB-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000956378504 1213188638 /nfs/dbraw/zinc/18/86/38/1213188638.db2.gz MDMSOCYAKQNFIB-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000956378504 1213188639 /nfs/dbraw/zinc/18/86/39/1213188639.db2.gz MDMSOCYAKQNFIB-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000956378504 1213188642 /nfs/dbraw/zinc/18/86/42/1213188642.db2.gz MDMSOCYAKQNFIB-RRFJBIMHSA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000956973298 1213224922 /nfs/dbraw/zinc/22/49/22/1213224922.db2.gz AGHBFHMBPYBEAT-KYJSFNMBSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000957085916 1213248101 /nfs/dbraw/zinc/24/81/01/1213248101.db2.gz KQOIEWHPXHDHOA-OWCLPIDISA-N 2 2 371.485 0.504 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688989 1225444364 /nfs/dbraw/zinc/44/43/64/1225444364.db2.gz YJKFHWKCMUWLNU-YWPYICTPSA-N 2 2 370.413 0.064 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688989 1225444368 /nfs/dbraw/zinc/44/43/68/1225444368.db2.gz YJKFHWKCMUWLNU-YWPYICTPSA-N 2 2 370.413 0.064 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000796277513 1213402401 /nfs/dbraw/zinc/40/24/01/1213402401.db2.gz ZSFVKZYLOVGLCY-LJQANCHMSA-N 2 2 374.529 0.983 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000796277513 1213402404 /nfs/dbraw/zinc/40/24/04/1213402404.db2.gz ZSFVKZYLOVGLCY-LJQANCHMSA-N 2 2 374.529 0.983 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960532104 1213807309 /nfs/dbraw/zinc/80/73/09/1213807309.db2.gz ZECRXQMNKOCBSO-CMZRPVNOSA-N 2 2 360.458 0.356 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000960532104 1213807315 /nfs/dbraw/zinc/80/73/15/1213807315.db2.gz ZECRXQMNKOCBSO-CMZRPVNOSA-N 2 2 360.458 0.356 20 0 FCADLP COc1ncccc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960532104 1213807316 /nfs/dbraw/zinc/80/73/16/1213807316.db2.gz ZECRXQMNKOCBSO-CMZRPVNOSA-N 2 2 360.458 0.356 20 0 FCADLP COc1ncccc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000960532104 1213807318 /nfs/dbraw/zinc/80/73/18/1213807318.db2.gz ZECRXQMNKOCBSO-CMZRPVNOSA-N 2 2 360.458 0.356 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221792754 1225482432 /nfs/dbraw/zinc/48/24/32/1225482432.db2.gz BKKZPISPWZXKQH-NVXWUHKLSA-N 2 2 362.474 0.722 20 0 FCADLP CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221792754 1225482438 /nfs/dbraw/zinc/48/24/38/1225482438.db2.gz BKKZPISPWZXKQH-NVXWUHKLSA-N 2 2 362.474 0.722 20 0 FCADLP CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[NH+](C)C ZINC001011829600 1213884636 /nfs/dbraw/zinc/88/46/36/1213884636.db2.gz PORLPZYKAMJPHH-BFYDXBDKSA-N 2 2 361.490 0.781 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)Cc4[nH]cc[nH+]4)C3)C2)CC[N@@H+]1C ZINC001014005895 1213918126 /nfs/dbraw/zinc/91/81/26/1213918126.db2.gz PQJHVVTWCVYAOK-YVHXLRLESA-N 2 2 359.474 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2CC3(CC(NC(=O)Cc4[nH]cc[nH+]4)C3)C2)CC[N@H+]1C ZINC001014005895 1213918133 /nfs/dbraw/zinc/91/81/33/1213918133.db2.gz PQJHVVTWCVYAOK-YVHXLRLESA-N 2 2 359.474 0.836 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419031318 1213953573 /nfs/dbraw/zinc/95/35/73/1213953573.db2.gz VBLQAALZXMWENP-LJQANCHMSA-N 2 2 371.416 0.982 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923803 1213977983 /nfs/dbraw/zinc/97/79/83/1213977983.db2.gz IVYNGZMFJKXRFO-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923803 1213977995 /nfs/dbraw/zinc/97/79/95/1213977995.db2.gz IVYNGZMFJKXRFO-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923803 1213978002 /nfs/dbraw/zinc/97/80/02/1213978002.db2.gz IVYNGZMFJKXRFO-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C(N)=O)c3)C2)O1 ZINC001014923803 1213978009 /nfs/dbraw/zinc/97/80/09/1213978009.db2.gz IVYNGZMFJKXRFO-KBRIMQKVSA-N 2 2 360.458 0.195 20 0 FCADLP O=C(N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001016672222 1214028298 /nfs/dbraw/zinc/02/82/98/1214028298.db2.gz VIYQZQKDEYLWHM-IIAWOOMASA-N 2 2 355.446 0.776 20 0 FCADLP O=C(N[C@@H]1CC12CC[NH+](CCn1cncn1)CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001016672222 1214028303 /nfs/dbraw/zinc/02/83/03/1214028303.db2.gz VIYQZQKDEYLWHM-IIAWOOMASA-N 2 2 355.446 0.776 20 0 FCADLP Cc1noc(C[NH+]2CCC3(C[C@@H]3NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001016685234 1214034932 /nfs/dbraw/zinc/03/49/32/1214034932.db2.gz NESGMDJASLMCHG-YUELXQCFSA-N 2 2 363.462 0.568 20 0 FCADLP Cc1noc(C[NH+]2CCC3(C[C@@H]3NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001016685234 1214034937 /nfs/dbraw/zinc/03/49/37/1214034937.db2.gz NESGMDJASLMCHG-YUELXQCFSA-N 2 2 363.462 0.568 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001017054430 1214069108 /nfs/dbraw/zinc/06/91/08/1214069108.db2.gz KXTZRKLKSIKPEZ-QDIHITRGSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1noc(C[NH+](C)C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001017153423 1214076859 /nfs/dbraw/zinc/07/68/59/1214076859.db2.gz OTAAPJZQCDLOGE-FVQBIDKESA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[NH+](C)C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001017153423 1214076862 /nfs/dbraw/zinc/07/68/62/1214076862.db2.gz OTAAPJZQCDLOGE-FVQBIDKESA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[N@@H+](C)C[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001017153423 1214076867 /nfs/dbraw/zinc/07/68/67/1214076867.db2.gz OTAAPJZQCDLOGE-FVQBIDKESA-N 2 2 365.478 0.768 20 0 FCADLP Cc1noc(C[N@H+](C)C[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001017153423 1214076873 /nfs/dbraw/zinc/07/68/73/1214076873.db2.gz OTAAPJZQCDLOGE-FVQBIDKESA-N 2 2 365.478 0.768 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001095915547 1214078927 /nfs/dbraw/zinc/07/89/27/1214078927.db2.gz GQGDNCUCPBELBF-OWSLCNJRSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001095915547 1214078931 /nfs/dbraw/zinc/07/89/31/1214078931.db2.gz GQGDNCUCPBELBF-OWSLCNJRSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnn(C)c2)C1 ZINC001095915547 1214078940 /nfs/dbraw/zinc/07/89/40/1214078940.db2.gz GQGDNCUCPBELBF-OWSLCNJRSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnn(C)c2)C1 ZINC001095915547 1214078943 /nfs/dbraw/zinc/07/89/43/1214078943.db2.gz GQGDNCUCPBELBF-OWSLCNJRSA-N 2 2 361.490 0.751 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001017465082 1214097961 /nfs/dbraw/zinc/09/79/61/1214097961.db2.gz QQXNVYYISMZNTN-BZUAXINKSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001017465082 1214097975 /nfs/dbraw/zinc/09/79/75/1214097975.db2.gz QQXNVYYISMZNTN-BZUAXINKSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001017465082 1214097985 /nfs/dbraw/zinc/09/79/85/1214097985.db2.gz QQXNVYYISMZNTN-BZUAXINKSA-N 2 2 357.458 0.740 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001017465082 1214097998 /nfs/dbraw/zinc/09/79/98/1214097998.db2.gz QQXNVYYISMZNTN-BZUAXINKSA-N 2 2 357.458 0.740 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001221848996 1225505576 /nfs/dbraw/zinc/50/55/76/1225505576.db2.gz PXRKUMISWVQFJE-QZTJIDSGSA-N 2 2 362.518 0.777 20 0 FCADLP C[NH+]1CCC(CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC4CC4)C[C@H]32)CC1 ZINC001221848996 1225505580 /nfs/dbraw/zinc/50/55/80/1225505580.db2.gz PXRKUMISWVQFJE-QZTJIDSGSA-N 2 2 362.518 0.777 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001095933077 1214158406 /nfs/dbraw/zinc/15/84/06/1214158406.db2.gz UHQJSMCMSIPKOT-PMPSAXMXSA-N 2 2 360.458 0.909 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001095933077 1214158410 /nfs/dbraw/zinc/15/84/10/1214158410.db2.gz UHQJSMCMSIPKOT-PMPSAXMXSA-N 2 2 360.458 0.909 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)C1 ZINC001019037745 1214182683 /nfs/dbraw/zinc/18/26/83/1214182683.db2.gz AGYYCMXITBODAZ-RRFJBIMHSA-N 2 2 357.458 0.526 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C3)C1 ZINC001019037745 1214182689 /nfs/dbraw/zinc/18/26/89/1214182689.db2.gz AGYYCMXITBODAZ-RRFJBIMHSA-N 2 2 357.458 0.526 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)C1 ZINC001019037745 1214182693 /nfs/dbraw/zinc/18/26/93/1214182693.db2.gz AGYYCMXITBODAZ-RRFJBIMHSA-N 2 2 357.458 0.526 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C3)C1 ZINC001019037745 1214182699 /nfs/dbraw/zinc/18/26/99/1214182699.db2.gz AGYYCMXITBODAZ-RRFJBIMHSA-N 2 2 357.458 0.526 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH+]cn4C)C3)C2)CC[N@@H+]1C ZINC001019209002 1214217639 /nfs/dbraw/zinc/21/76/39/1214217639.db2.gz RFNAPHDAAWSOLX-GDBMZVCRSA-N 2 2 359.474 0.364 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC3(CN(C(=O)Cc4c[nH+]cn4C)C3)C2)CC[N@H+]1C ZINC001019209002 1214217645 /nfs/dbraw/zinc/21/76/45/1214217645.db2.gz RFNAPHDAAWSOLX-GDBMZVCRSA-N 2 2 359.474 0.364 20 0 FCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221870930 1225514953 /nfs/dbraw/zinc/51/49/53/1225514953.db2.gz OSDMPPTUXVEFGO-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221870930 1225514957 /nfs/dbraw/zinc/51/49/57/1225514957.db2.gz OSDMPPTUXVEFGO-HZPDHXFCSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020165830 1214315852 /nfs/dbraw/zinc/31/58/52/1214315852.db2.gz BUMCMIFGTWHHHF-WRQOLXDDSA-N 2 2 371.485 0.669 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC000961827381 1214318514 /nfs/dbraw/zinc/31/85/14/1214318514.db2.gz UDKUGTLGEVGANA-JLOCXQCDSA-N 2 2 354.458 0.546 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cn1 ZINC000961827381 1214318519 /nfs/dbraw/zinc/31/85/19/1214318519.db2.gz UDKUGTLGEVGANA-JLOCXQCDSA-N 2 2 354.458 0.546 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020257044 1214324800 /nfs/dbraw/zinc/32/48/00/1214324800.db2.gz QDSFYPHMKMSMFR-JLHFOLKXSA-N 2 2 357.458 0.903 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020257044 1214324809 /nfs/dbraw/zinc/32/48/09/1214324809.db2.gz QDSFYPHMKMSMFR-JLHFOLKXSA-N 2 2 357.458 0.903 20 0 FCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1C(=O)C[NH+]1CCCC1 ZINC001020274338 1214326917 /nfs/dbraw/zinc/32/69/17/1214326917.db2.gz UWIASMTZEGHGGX-JJXSEGSLSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000961839986 1214327023 /nfs/dbraw/zinc/32/70/23/1214327023.db2.gz ZNIFKZHJWQJQAB-JLOCXQCDSA-N 2 2 369.473 0.479 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000961839986 1214327032 /nfs/dbraw/zinc/32/70/32/1214327032.db2.gz ZNIFKZHJWQJQAB-JLOCXQCDSA-N 2 2 369.473 0.479 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020287772 1214329901 /nfs/dbraw/zinc/32/99/01/1214329901.db2.gz KFIIVJIMGCTVLK-KLHDSHLOSA-N 2 2 364.494 0.390 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020287772 1214329906 /nfs/dbraw/zinc/32/99/06/1214329906.db2.gz KFIIVJIMGCTVLK-KLHDSHLOSA-N 2 2 364.494 0.390 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001039172062 1214374223 /nfs/dbraw/zinc/37/42/23/1214374223.db2.gz KMBBYYZZPVKSEO-BZUAXINKSA-N 2 2 359.474 0.569 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001039172062 1214374230 /nfs/dbraw/zinc/37/42/30/1214374230.db2.gz KMBBYYZZPVKSEO-BZUAXINKSA-N 2 2 359.474 0.569 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221883474 1225522238 /nfs/dbraw/zinc/52/22/38/1225522238.db2.gz HENYPEABAOLJPU-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C[C@H]21 ZINC001221883474 1225522243 /nfs/dbraw/zinc/52/22/43/1225522243.db2.gz HENYPEABAOLJPU-BRWVUGGUSA-N 2 2 366.506 0.108 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039580917 1214387558 /nfs/dbraw/zinc/38/75/58/1214387558.db2.gz HPWCAAKSSMJTNG-KFWWJZLASA-N 2 2 356.434 0.335 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001039580917 1214387565 /nfs/dbraw/zinc/38/75/65/1214387565.db2.gz HPWCAAKSSMJTNG-KFWWJZLASA-N 2 2 356.434 0.335 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001221919486 1225534621 /nfs/dbraw/zinc/53/46/21/1225534621.db2.gz RDOAHWOONPYMPY-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001221919486 1225534623 /nfs/dbraw/zinc/53/46/23/1225534623.db2.gz RDOAHWOONPYMPY-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001221919486 1225534629 /nfs/dbraw/zinc/53/46/29/1225534629.db2.gz RDOAHWOONPYMPY-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@H]21 ZINC001221919486 1225534634 /nfs/dbraw/zinc/53/46/34/1225534634.db2.gz RDOAHWOONPYMPY-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CCc1nnc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1C ZINC000962324271 1214534680 /nfs/dbraw/zinc/53/46/80/1214534680.db2.gz PNQAUEVXOQFTGW-NEXFUWMNSA-N 2 2 371.489 0.899 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001040865845 1214609111 /nfs/dbraw/zinc/60/91/11/1214609111.db2.gz DPTBBRRAPSNKFW-XJKSGUPXSA-N 2 2 369.473 0.885 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001040865845 1214609114 /nfs/dbraw/zinc/60/91/14/1214609114.db2.gz DPTBBRRAPSNKFW-XJKSGUPXSA-N 2 2 369.473 0.885 20 0 FCADLP Cc1cc(N2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)nc(C)[nH+]1 ZINC001040867968 1214609887 /nfs/dbraw/zinc/60/98/87/1214609887.db2.gz IXIOILYAZRBIPJ-XLNGHYISSA-N 2 2 359.474 0.850 20 0 FCADLP Cc1cc(N2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)nc(C)[nH+]1 ZINC001040867968 1214609895 /nfs/dbraw/zinc/60/98/95/1214609895.db2.gz IXIOILYAZRBIPJ-XLNGHYISSA-N 2 2 359.474 0.850 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950444 1225549027 /nfs/dbraw/zinc/54/90/27/1225549027.db2.gz IGWGXWFKHDVFDD-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950444 1225549032 /nfs/dbraw/zinc/54/90/32/1225549032.db2.gz IGWGXWFKHDVFDD-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947174 1225547402 /nfs/dbraw/zinc/54/74/02/1225547402.db2.gz WNJOFMHAXWDCMW-NVXWUHKLSA-N 2 2 364.494 0.217 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947174 1225547405 /nfs/dbraw/zinc/54/74/05/1225547405.db2.gz WNJOFMHAXWDCMW-NVXWUHKLSA-N 2 2 364.494 0.217 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948353 1225547696 /nfs/dbraw/zinc/54/76/96/1225547696.db2.gz RVMCVVDVLAUMLR-BRWVUGGUSA-N 2 2 362.518 0.776 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948353 1225547703 /nfs/dbraw/zinc/54/77/03/1225547703.db2.gz RVMCVVDVLAUMLR-BRWVUGGUSA-N 2 2 362.518 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000963333097 1214798162 /nfs/dbraw/zinc/79/81/62/1214798162.db2.gz JROHYHWDXWDWDV-NCOADZHNSA-N 2 2 359.474 0.815 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000963333097 1214798167 /nfs/dbraw/zinc/79/81/67/1214798167.db2.gz JROHYHWDXWDWDV-NCOADZHNSA-N 2 2 359.474 0.815 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000963585653 1214827590 /nfs/dbraw/zinc/82/75/90/1214827590.db2.gz JDQCOCDPNFUUTQ-CVEARBPZSA-N 2 2 368.397 0.070 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@H]4CCC[N@H+]4C)C[C@@H]3O)ccn12 ZINC000963806935 1214854411 /nfs/dbraw/zinc/85/44/11/1214854411.db2.gz OCGDPDWASQPLDA-OAGGEKHMSA-N 2 2 371.441 0.038 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@@H]3O)ccn12 ZINC000963806935 1214854413 /nfs/dbraw/zinc/85/44/13/1214854413.db2.gz OCGDPDWASQPLDA-OAGGEKHMSA-N 2 2 371.441 0.038 20 0 FCADLP Cn1nncc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000964014117 1214886616 /nfs/dbraw/zinc/88/66/16/1214886616.db2.gz UJEXJMMWPWEKKC-KEXGVCKDSA-N 2 2 355.446 0.859 20 0 FCADLP Cn1nncc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000964014117 1214886618 /nfs/dbraw/zinc/88/66/18/1214886618.db2.gz UJEXJMMWPWEKKC-KEXGVCKDSA-N 2 2 355.446 0.859 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC000964985025 1215012495 /nfs/dbraw/zinc/01/24/95/1215012495.db2.gz BKBPWKDUNAPNQZ-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC000964985025 1215012498 /nfs/dbraw/zinc/01/24/98/1215012498.db2.gz BKBPWKDUNAPNQZ-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)O1 ZINC000964992363 1215014390 /nfs/dbraw/zinc/01/43/90/1215014390.db2.gz XQYOKMFQNCBWIW-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)O1 ZINC000964992363 1215014391 /nfs/dbraw/zinc/01/43/91/1215014391.db2.gz XQYOKMFQNCBWIW-OWCLPIDISA-N 2 2 363.462 0.100 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001222016724 1225576906 /nfs/dbraw/zinc/57/69/06/1225576906.db2.gz YIFYJWJSDQFCSW-IAGOWNOFSA-N 2 2 359.474 0.593 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001222016724 1225576912 /nfs/dbraw/zinc/57/69/12/1225576912.db2.gz YIFYJWJSDQFCSW-IAGOWNOFSA-N 2 2 359.474 0.593 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000966001747 1215159086 /nfs/dbraw/zinc/15/90/86/1215159086.db2.gz JGSOHIDEJIRMIC-KLHDSHLOSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000966001747 1215159087 /nfs/dbraw/zinc/15/90/87/1215159087.db2.gz JGSOHIDEJIRMIC-KLHDSHLOSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC000967692246 1215255571 /nfs/dbraw/zinc/25/55/71/1215255571.db2.gz UHELGUAVBXOLOB-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC000967692246 1215255574 /nfs/dbraw/zinc/25/55/74/1215255574.db2.gz UHELGUAVBXOLOB-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889790 1215263178 /nfs/dbraw/zinc/26/31/78/1215263178.db2.gz DLHPXDYGHFEWAT-MOPGFXCFSA-N 2 2 359.470 0.555 20 0 FCADLP O=C(C[C@H]1C[NH+](Cc2ccccc2)CCO1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889790 1215263179 /nfs/dbraw/zinc/26/31/79/1215263179.db2.gz DLHPXDYGHFEWAT-MOPGFXCFSA-N 2 2 359.470 0.555 20 0 FCADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889790 1215263180 /nfs/dbraw/zinc/26/31/80/1215263180.db2.gz DLHPXDYGHFEWAT-MOPGFXCFSA-N 2 2 359.470 0.555 20 0 FCADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889790 1215263181 /nfs/dbraw/zinc/26/31/81/1215263181.db2.gz DLHPXDYGHFEWAT-MOPGFXCFSA-N 2 2 359.470 0.555 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488905 1225628024 /nfs/dbraw/zinc/62/80/24/1225628024.db2.gz HBXQWOGVMNFTQE-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222488905 1225628027 /nfs/dbraw/zinc/62/80/27/1225628027.db2.gz HBXQWOGVMNFTQE-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222488905 1225628029 /nfs/dbraw/zinc/62/80/29/1225628029.db2.gz HBXQWOGVMNFTQE-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222488905 1225628030 /nfs/dbraw/zinc/62/80/30/1225628030.db2.gz HBXQWOGVMNFTQE-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001055650512 1215898723 /nfs/dbraw/zinc/89/87/23/1215898723.db2.gz YTIUVRLLCMPRCK-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001055650512 1215898724 /nfs/dbraw/zinc/89/87/24/1215898724.db2.gz YTIUVRLLCMPRCK-DJIMGWMZSA-N 2 2 366.506 0.060 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001000478208 1216068423 /nfs/dbraw/zinc/06/84/23/1216068423.db2.gz UCAKFUFSESULIX-NCOADZHNSA-N 2 2 359.474 0.863 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCn2cc[nH+]c2)C1 ZINC001000478208 1216068426 /nfs/dbraw/zinc/06/84/26/1216068426.db2.gz UCAKFUFSESULIX-NCOADZHNSA-N 2 2 359.474 0.863 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001001161942 1216134387 /nfs/dbraw/zinc/13/43/87/1216134387.db2.gz YSGVGBPEPCPHHU-IAGOWNOFSA-N 2 2 371.485 0.894 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001001161942 1216134389 /nfs/dbraw/zinc/13/43/89/1216134389.db2.gz YSGVGBPEPCPHHU-IAGOWNOFSA-N 2 2 371.485 0.894 20 0 FCADLP COCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001001418873 1216194334 /nfs/dbraw/zinc/19/43/34/1216194334.db2.gz OSVDWTBNILWICY-UKRRQHHQSA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001001418873 1216194349 /nfs/dbraw/zinc/19/43/49/1216194349.db2.gz OSVDWTBNILWICY-UKRRQHHQSA-N 2 2 365.478 0.884 20 0 FCADLP CCn1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001001531298 1216237638 /nfs/dbraw/zinc/23/76/38/1216237638.db2.gz DPPMDNZGRRTGPI-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP CCn1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)nn1 ZINC001001531298 1216237651 /nfs/dbraw/zinc/23/76/51/1216237651.db2.gz DPPMDNZGRRTGPI-RHSMWYFYSA-N 2 2 364.494 0.345 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](Cc4ccnn4C)C[C@H]32)O1 ZINC001050076043 1216279355 /nfs/dbraw/zinc/27/93/55/1216279355.db2.gz SIMLCQZPWMWBNS-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](Cc4ccnn4C)C[C@H]32)O1 ZINC001050076043 1216279362 /nfs/dbraw/zinc/27/93/62/1216279362.db2.gz SIMLCQZPWMWBNS-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)O1 ZINC001050076043 1216279372 /nfs/dbraw/zinc/27/93/72/1216279372.db2.gz SIMLCQZPWMWBNS-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)O1 ZINC001050076043 1216279381 /nfs/dbraw/zinc/27/93/81/1216279381.db2.gz SIMLCQZPWMWBNS-CYGHRXIMSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001050454430 1216320403 /nfs/dbraw/zinc/32/04/03/1216320403.db2.gz JRXNVNHRQJMPAI-NFAWXSAZSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1[nH+]cnc2c1cnn2C ZINC001050454430 1216320410 /nfs/dbraw/zinc/32/04/10/1216320410.db2.gz JRXNVNHRQJMPAI-NFAWXSAZSA-N 2 2 357.462 0.789 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276844207 1225663586 /nfs/dbraw/zinc/66/35/86/1225663586.db2.gz XXIITWHWXWDRFF-GOSISDBHSA-N 2 2 361.446 0.504 20 0 FCADLP CCNC(=O)CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3[nH]c(C)[nH+]c3C)C2)C1=O ZINC001276844207 1225663591 /nfs/dbraw/zinc/66/35/91/1225663591.db2.gz XXIITWHWXWDRFF-GOSISDBHSA-N 2 2 361.446 0.504 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1c1[nH+]cnc2c1cnn2C ZINC001050639019 1216343561 /nfs/dbraw/zinc/34/35/61/1216343561.db2.gz AEQWXMCDSFXMEB-WQVCFCJDSA-N 2 2 369.473 0.789 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2COCC[NH+]2CCC2CCOCC2)O1 ZINC001050987835 1216385733 /nfs/dbraw/zinc/38/57/33/1216385733.db2.gz WDLDEOTXQDLISZ-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2COCC[NH+]2CCC2CCOCC2)O1 ZINC001050987835 1216385740 /nfs/dbraw/zinc/38/57/40/1216385740.db2.gz WDLDEOTXQDLISZ-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2CCC2CCOCC2)O1 ZINC001050987835 1216385745 /nfs/dbraw/zinc/38/57/45/1216385745.db2.gz WDLDEOTXQDLISZ-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2COCC[N@H+]2CCC2CCOCC2)O1 ZINC001050987835 1216385753 /nfs/dbraw/zinc/38/57/53/1216385753.db2.gz WDLDEOTXQDLISZ-KBAYOESNSA-N 2 2 369.506 0.339 20 0 FCADLP Cc1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)o1 ZINC001051834209 1216485350 /nfs/dbraw/zinc/48/53/50/1216485350.db2.gz JMAMUMAJTQICCJ-BZUAXINKSA-N 2 2 359.430 0.837 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001051834100 1216485451 /nfs/dbraw/zinc/48/54/51/1216485451.db2.gz GUQORDMDHNSMKP-ARFHVFGLSA-N 2 2 358.446 0.274 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CCCO)CC2)C1 ZINC001052087025 1216495201 /nfs/dbraw/zinc/49/52/01/1216495201.db2.gz MSGOOWXMNVBYKW-GVDBMIGSSA-N 2 2 361.490 0.125 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001057771163 1216563945 /nfs/dbraw/zinc/56/39/45/1216563945.db2.gz VWIAGTBJKPFQDF-VHDGCEQUSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)[nH+]1 ZINC001057771163 1216563950 /nfs/dbraw/zinc/56/39/50/1216563950.db2.gz VWIAGTBJKPFQDF-VHDGCEQUSA-N 2 2 361.494 0.989 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413275 1216596845 /nfs/dbraw/zinc/59/68/45/1216596845.db2.gz BSVRJLLHWWEENL-OLZOCXBDSA-N 2 2 372.477 0.254 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc2c1ncnc2N ZINC000827413275 1216596851 /nfs/dbraw/zinc/59/68/51/1216596851.db2.gz BSVRJLLHWWEENL-OLZOCXBDSA-N 2 2 372.477 0.254 20 0 FCADLP Cn1c(=O)cccc1C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276868321 1225684724 /nfs/dbraw/zinc/68/47/24/1225684724.db2.gz JVOBSWKFLOXMEO-IBGZPJMESA-N 2 2 355.442 0.706 20 0 FCADLP Cn1c(=O)cccc1C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001276868321 1225684726 /nfs/dbraw/zinc/68/47/26/1225684726.db2.gz JVOBSWKFLOXMEO-IBGZPJMESA-N 2 2 355.442 0.706 20 0 FCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069958938 1216867742 /nfs/dbraw/zinc/86/77/42/1216867742.db2.gz UHTSUWCQUGFLSM-VUCTXSBTSA-N 2 2 369.429 0.845 20 0 FCADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069958938 1216867745 /nfs/dbraw/zinc/86/77/45/1216867745.db2.gz UHTSUWCQUGFLSM-VUCTXSBTSA-N 2 2 369.429 0.845 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962037 1216868713 /nfs/dbraw/zinc/86/87/13/1216868713.db2.gz AQERFJRTIKKBFI-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001069962037 1216868714 /nfs/dbraw/zinc/86/87/14/1216868714.db2.gz AQERFJRTIKKBFI-JQHSSLGASA-N 2 2 369.473 0.879 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069964129 1216871196 /nfs/dbraw/zinc/87/11/96/1216871196.db2.gz WTEYDIJRFQUPCN-OIISXLGYSA-N 2 2 357.462 0.879 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](n2ccnn2)C1 ZINC001069964129 1216871200 /nfs/dbraw/zinc/87/12/00/1216871200.db2.gz WTEYDIJRFQUPCN-OIISXLGYSA-N 2 2 357.462 0.879 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223569252 1225717148 /nfs/dbraw/zinc/71/71/48/1225717148.db2.gz ATDNYZHIVVIZAW-ZMSDIMECSA-N 2 2 368.522 0.448 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc(C2CC2)[nH+]1 ZINC001041397022 1217310577 /nfs/dbraw/zinc/31/05/77/1217310577.db2.gz PKTSDKOHCUYDKL-DTZQCDIJSA-N 2 2 359.474 0.668 20 0 FCADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc(C2CC2)[nH+]1 ZINC001041397022 1217310583 /nfs/dbraw/zinc/31/05/83/1217310583.db2.gz PKTSDKOHCUYDKL-DTZQCDIJSA-N 2 2 359.474 0.668 20 0 FCADLP CCc1cc(N2C[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](OC)C2)nc(C)[nH+]1 ZINC001042930286 1217520008 /nfs/dbraw/zinc/52/00/08/1217520008.db2.gz PKNGZVBUNINPSF-HZPDHXFCSA-N 2 2 358.446 0.872 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C)[nH+]1 ZINC001043512380 1217667113 /nfs/dbraw/zinc/66/71/13/1217667113.db2.gz NXOYRUMRJLDXIP-UMVBOHGHSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)[nH+]1 ZINC001043512380 1217667119 /nfs/dbraw/zinc/66/71/19/1217667119.db2.gz NXOYRUMRJLDXIP-UMVBOHGHSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)[nH+]1 ZINC001043563660 1217675128 /nfs/dbraw/zinc/67/51/28/1217675128.db2.gz IBAXNAGJZFEPBW-QHSBEEBCSA-N 2 2 361.494 0.845 20 0 FCADLP Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)[nH+]1 ZINC001043563660 1217675132 /nfs/dbraw/zinc/67/51/32/1217675132.db2.gz IBAXNAGJZFEPBW-QHSBEEBCSA-N 2 2 361.494 0.845 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044206904 1217818165 /nfs/dbraw/zinc/81/81/65/1217818165.db2.gz FSVGBTGSJURYFV-OAGGEKHMSA-N 2 2 359.474 0.355 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001224306137 1225771907 /nfs/dbraw/zinc/77/19/07/1225771907.db2.gz CRUWZXMLKCOSCY-SJORKVTESA-N 2 2 357.462 0.878 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001224306137 1225771911 /nfs/dbraw/zinc/77/19/11/1225771911.db2.gz CRUWZXMLKCOSCY-SJORKVTESA-N 2 2 357.462 0.878 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044452953 1217847647 /nfs/dbraw/zinc/84/76/47/1217847647.db2.gz YFZUOUPMUDOPLW-UQCMEYCASA-N 2 2 361.490 0.798 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044452953 1217847650 /nfs/dbraw/zinc/84/76/50/1217847650.db2.gz YFZUOUPMUDOPLW-UQCMEYCASA-N 2 2 361.490 0.798 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044506062 1217850689 /nfs/dbraw/zinc/85/06/89/1217850689.db2.gz YWNUVKSWMBTRJO-CABCVRRESA-N 2 2 361.490 0.745 20 0 FCADLP CCc1nc(N2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)cc(C)[nH+]1 ZINC001044506062 1217850691 /nfs/dbraw/zinc/85/06/91/1217850691.db2.gz YWNUVKSWMBTRJO-CABCVRRESA-N 2 2 361.490 0.745 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@@H]1O)C2 ZINC001044527448 1217852663 /nfs/dbraw/zinc/85/26/63/1217852663.db2.gz MMGBCZWLXDHKFK-UAGQMJEPSA-N 2 2 370.457 0.527 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC001045680045 1217947889 /nfs/dbraw/zinc/94/78/89/1217947889.db2.gz PUNUOSJUFDIUJK-ARFHVFGLSA-N 2 2 362.474 0.503 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3Cc2cnn(C)c2)O1 ZINC001045802443 1217961495 /nfs/dbraw/zinc/96/14/95/1217961495.db2.gz CRFUAOMSIBWGLH-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(C)c2)O1 ZINC001045802443 1217961502 /nfs/dbraw/zinc/96/15/02/1217961502.db2.gz CRFUAOMSIBWGLH-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(C)c2)O1 ZINC001045802443 1217961507 /nfs/dbraw/zinc/96/15/07/1217961507.db2.gz CRFUAOMSIBWGLH-NRSFXHEJSA-N 2 2 361.490 0.705 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900192322 1217969104 /nfs/dbraw/zinc/96/91/04/1217969104.db2.gz LKIWKTXFJNSGLQ-FPOVZHCZSA-N 2 2 374.529 0.895 20 0 FCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900192322 1217969109 /nfs/dbraw/zinc/96/91/09/1217969109.db2.gz LKIWKTXFJNSGLQ-FPOVZHCZSA-N 2 2 374.529 0.895 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)c2)CCO1 ZINC000900368764 1217983490 /nfs/dbraw/zinc/98/34/90/1217983490.db2.gz MDKCYJYOKOIEAQ-XFQXTVEOSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)c2)CCO1 ZINC000900368764 1217983496 /nfs/dbraw/zinc/98/34/96/1217983496.db2.gz MDKCYJYOKOIEAQ-XFQXTVEOSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)c2)CCO1 ZINC000900368764 1217983500 /nfs/dbraw/zinc/98/35/00/1217983500.db2.gz MDKCYJYOKOIEAQ-XFQXTVEOSA-N 2 2 361.486 0.979 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)c2)CCO1 ZINC000900368764 1217983505 /nfs/dbraw/zinc/98/35/05/1217983505.db2.gz MDKCYJYOKOIEAQ-XFQXTVEOSA-N 2 2 361.486 0.979 20 0 FCADLP CC[C@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900604567 1218011233 /nfs/dbraw/zinc/01/12/33/1218011233.db2.gz CYDYDAVFCGIHES-RDJZCZTQSA-N 2 2 368.522 0.090 20 0 FCADLP CC[C@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900604568 1218011783 /nfs/dbraw/zinc/01/17/83/1218011783.db2.gz CYDYDAVFCGIHES-WBVHZDCISA-N 2 2 368.522 0.090 20 0 FCADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1NC(N)=O ZINC000900673857 1218022469 /nfs/dbraw/zinc/02/24/69/1218022469.db2.gz RKRVYHJXNYHGEU-AWEZNQCLSA-N 2 2 362.478 0.625 20 0 FCADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1NC(N)=O ZINC000900673857 1218022472 /nfs/dbraw/zinc/02/24/72/1218022472.db2.gz RKRVYHJXNYHGEU-AWEZNQCLSA-N 2 2 362.478 0.625 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001096090676 1218028910 /nfs/dbraw/zinc/02/89/10/1218028910.db2.gz OWLWZKUDNBLDPO-CBBWQLFWSA-N 2 2 373.457 0.533 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001096090676 1218028914 /nfs/dbraw/zinc/02/89/14/1218028914.db2.gz OWLWZKUDNBLDPO-CBBWQLFWSA-N 2 2 373.457 0.533 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000900867285 1218047173 /nfs/dbraw/zinc/04/71/73/1218047173.db2.gz SCYZOJALQZOIKB-IRXDYDNUSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000900867285 1218047177 /nfs/dbraw/zinc/04/71/77/1218047177.db2.gz SCYZOJALQZOIKB-IRXDYDNUSA-N 2 2 367.490 0.585 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cc(C4CC4)no3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385047 1218137607 /nfs/dbraw/zinc/13/76/07/1218137607.db2.gz VVNNGKACUZYMFL-ZYUBPSHWSA-N 2 2 362.474 0.896 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cc(C4CC4)no3)C[C@@H]2O)CC[N@H+]1C ZINC001047385047 1218137614 /nfs/dbraw/zinc/13/76/14/1218137614.db2.gz VVNNGKACUZYMFL-ZYUBPSHWSA-N 2 2 362.474 0.896 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@@H]2O)CC[NH+]1C ZINC001047385047 1218137615 /nfs/dbraw/zinc/13/76/15/1218137615.db2.gz VVNNGKACUZYMFL-ZYUBPSHWSA-N 2 2 362.474 0.896 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@@H]2O)CC[NH+]1C ZINC001047385047 1218137619 /nfs/dbraw/zinc/13/76/19/1218137619.db2.gz VVNNGKACUZYMFL-ZYUBPSHWSA-N 2 2 362.474 0.896 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047386517 1218138300 /nfs/dbraw/zinc/13/83/00/1218138300.db2.gz YFQRITRKJNQJAQ-RANZSIQMSA-N 2 2 364.490 0.971 20 0 FCADLP CCc1nocc1C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386517 1218138302 /nfs/dbraw/zinc/13/83/02/1218138302.db2.gz YFQRITRKJNQJAQ-RANZSIQMSA-N 2 2 364.490 0.971 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386517 1218138305 /nfs/dbraw/zinc/13/83/05/1218138305.db2.gz YFQRITRKJNQJAQ-RANZSIQMSA-N 2 2 364.490 0.971 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386517 1218138307 /nfs/dbraw/zinc/13/83/07/1218138307.db2.gz YFQRITRKJNQJAQ-RANZSIQMSA-N 2 2 364.490 0.971 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001096363696 1218267172 /nfs/dbraw/zinc/26/71/72/1218267172.db2.gz CFBHLCAETLIABF-QCPWZWHMSA-N 2 2 357.458 0.761 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001096363696 1218267174 /nfs/dbraw/zinc/26/71/74/1218267174.db2.gz CFBHLCAETLIABF-QCPWZWHMSA-N 2 2 357.458 0.761 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1c1[nH+]cnc2c1cnn2C ZINC001048586807 1218292784 /nfs/dbraw/zinc/29/27/84/1218292784.db2.gz CJYQXWVJGMNKDX-ZNMIVQPWSA-N 2 2 357.462 0.931 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1[nH+]cnc2c1cnn2C ZINC001048586807 1218292788 /nfs/dbraw/zinc/29/27/88/1218292788.db2.gz CJYQXWVJGMNKDX-ZNMIVQPWSA-N 2 2 357.462 0.931 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829826 1218324573 /nfs/dbraw/zinc/32/45/73/1218324573.db2.gz ZINCKDRPARZGHV-LVQVYYBASA-N 2 2 364.469 0.478 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)C[C@@H]3C2)CC[N@H+]1C ZINC001048829826 1218324581 /nfs/dbraw/zinc/32/45/81/1218324581.db2.gz ZINCKDRPARZGHV-LVQVYYBASA-N 2 2 364.469 0.478 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4CCF)C[C@@H]3C2)CC[NH+]1C ZINC001048829826 1218324588 /nfs/dbraw/zinc/32/45/88/1218324588.db2.gz ZINCKDRPARZGHV-LVQVYYBASA-N 2 2 364.469 0.478 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4CCF)C[C@@H]3C2)CC[NH+]1C ZINC001048829826 1218324594 /nfs/dbraw/zinc/32/45/94/1218324594.db2.gz ZINCKDRPARZGHV-LVQVYYBASA-N 2 2 364.469 0.478 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048873750 1218331854 /nfs/dbraw/zinc/33/18/54/1218331854.db2.gz VJFBGDTYBJGIEM-YCCFLXJFSA-N 2 2 357.458 0.524 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]3C2)C1=O ZINC001048873750 1218331860 /nfs/dbraw/zinc/33/18/60/1218331860.db2.gz VJFBGDTYBJGIEM-YCCFLXJFSA-N 2 2 357.458 0.524 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048873750 1218331864 /nfs/dbraw/zinc/33/18/64/1218331864.db2.gz VJFBGDTYBJGIEM-YCCFLXJFSA-N 2 2 357.458 0.524 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001048873750 1218331870 /nfs/dbraw/zinc/33/18/70/1218331870.db2.gz VJFBGDTYBJGIEM-YCCFLXJFSA-N 2 2 357.458 0.524 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803348595 1218393154 /nfs/dbraw/zinc/39/31/54/1218393154.db2.gz NIRUKRKXBNXFQT-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803348595 1218393159 /nfs/dbraw/zinc/39/31/59/1218393159.db2.gz NIRUKRKXBNXFQT-UHFFFAOYSA-N 2 2 359.430 0.183 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001049481398 1218461098 /nfs/dbraw/zinc/46/10/98/1218461098.db2.gz INRXHKXAFVZZHT-TUVASFSCSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001049481398 1218461105 /nfs/dbraw/zinc/46/11/05/1218461105.db2.gz INRXHKXAFVZZHT-TUVASFSCSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481398 1218461111 /nfs/dbraw/zinc/46/11/11/1218461111.db2.gz INRXHKXAFVZZHT-TUVASFSCSA-N 2 2 362.478 0.014 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2nc(=O)n(C)[nH]2)CC[NH+]1C ZINC001049481398 1218461121 /nfs/dbraw/zinc/46/11/21/1218461121.db2.gz INRXHKXAFVZZHT-TUVASFSCSA-N 2 2 362.478 0.014 20 0 FCADLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)nn1 ZINC001096549493 1218477832 /nfs/dbraw/zinc/47/78/32/1218477832.db2.gz FFOMCUXHBJRGPO-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2C)C3)nn1 ZINC001096549493 1218477840 /nfs/dbraw/zinc/47/78/40/1218477840.db2.gz FFOMCUXHBJRGPO-PMPSAXMXSA-N 2 2 356.430 0.912 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCn1cncn1 ZINC001049538842 1218479737 /nfs/dbraw/zinc/47/97/37/1218479737.db2.gz ZSNOTYVIRUOSJP-TXCZRRACSA-N 2 2 355.446 0.870 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCn1cncn1 ZINC001049538842 1218479740 /nfs/dbraw/zinc/47/97/40/1218479740.db2.gz ZSNOTYVIRUOSJP-TXCZRRACSA-N 2 2 355.446 0.870 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001225969626 1225829467 /nfs/dbraw/zinc/82/94/67/1225829467.db2.gz OBNBXMPCMSDOJM-ARFHVFGLSA-N 2 2 360.462 0.617 20 0 FCADLP CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)cn1 ZINC001096914487 1218639532 /nfs/dbraw/zinc/63/95/32/1218639532.db2.gz VVHGTBWOXKOGLO-BDXSIMOUSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C3)cn1 ZINC001096914487 1218639535 /nfs/dbraw/zinc/63/95/35/1218639535.db2.gz VVHGTBWOXKOGLO-BDXSIMOUSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C3)cn1 ZINC001096914487 1218639539 /nfs/dbraw/zinc/63/95/39/1218639539.db2.gz VVHGTBWOXKOGLO-BDXSIMOUSA-N 2 2 361.490 0.498 20 0 FCADLP CCn1cc(CC[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C3)cn1 ZINC001096914487 1218639544 /nfs/dbraw/zinc/63/95/44/1218639544.db2.gz VVHGTBWOXKOGLO-BDXSIMOUSA-N 2 2 361.490 0.498 20 0 FCADLP Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095436 1218687433 /nfs/dbraw/zinc/68/74/33/1218687433.db2.gz OAYDRIHWBVLYKP-OLMNPRSZSA-N 2 2 371.489 0.714 20 0 FCADLP Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095436 1218687442 /nfs/dbraw/zinc/68/74/42/1218687442.db2.gz OAYDRIHWBVLYKP-OLMNPRSZSA-N 2 2 371.489 0.714 20 0 FCADLP C[C@@H]1CN(C(=O)c2cncc(C(=O)N3CC[N@H+](C)[C@H](C)C3)c2)CC[NH+]1C ZINC000748344674 1218699626 /nfs/dbraw/zinc/69/96/26/1218699626.db2.gz FGLWWRYTOILEQY-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1CN(C(=O)c2cncc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)c2)CC[NH+]1C ZINC000748344674 1218699631 /nfs/dbraw/zinc/69/96/31/1218699631.db2.gz FGLWWRYTOILEQY-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000748349688 1218701645 /nfs/dbraw/zinc/70/16/45/1218701645.db2.gz PYXBVEVAQRVDJA-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)n2)CC[NH+]1C ZINC000748349688 1218701651 /nfs/dbraw/zinc/70/16/51/1218701651.db2.gz PYXBVEVAQRVDJA-HUUCEWRRSA-N 2 2 359.474 0.634 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001226347673 1225840842 /nfs/dbraw/zinc/84/08/42/1225840842.db2.gz AMINTGLILGMGAR-NUEKZKHPSA-N 2 2 361.490 0.913 20 0 FCADLP Cc1nn(C)cc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001097322847 1218776032 /nfs/dbraw/zinc/77/60/32/1218776032.db2.gz FOJSSIHHMISASZ-IDXRPEPOSA-N 2 2 361.490 0.669 20 0 FCADLP Cc1nn(C)cc1C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001097322847 1218776039 /nfs/dbraw/zinc/77/60/39/1218776039.db2.gz FOJSSIHHMISASZ-IDXRPEPOSA-N 2 2 361.490 0.669 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097322847 1218776047 /nfs/dbraw/zinc/77/60/47/1218776047.db2.gz FOJSSIHHMISASZ-IDXRPEPOSA-N 2 2 361.490 0.669 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097322847 1218776054 /nfs/dbraw/zinc/77/60/54/1218776054.db2.gz FOJSSIHHMISASZ-IDXRPEPOSA-N 2 2 361.490 0.669 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508132 1218813378 /nfs/dbraw/zinc/81/33/78/1218813378.db2.gz WKKHYYSYGFWHLC-ZCDTZLGTSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001097508132 1218813380 /nfs/dbraw/zinc/81/33/80/1218813380.db2.gz WKKHYYSYGFWHLC-ZCDTZLGTSA-N 2 2 354.414 0.476 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001097555567 1218818709 /nfs/dbraw/zinc/81/87/09/1218818709.db2.gz OBLSUZCVALYXAV-KYJSFNMBSA-N 2 2 369.473 0.775 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001097555567 1218818710 /nfs/dbraw/zinc/81/87/10/1218818710.db2.gz OBLSUZCVALYXAV-KYJSFNMBSA-N 2 2 369.473 0.775 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001097734766 1218842279 /nfs/dbraw/zinc/84/22/79/1218842279.db2.gz VKKPOTFMYQPKHU-LVQVYYBASA-N 2 2 360.458 0.955 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001097734766 1218842280 /nfs/dbraw/zinc/84/22/80/1218842280.db2.gz VKKPOTFMYQPKHU-LVQVYYBASA-N 2 2 360.458 0.955 20 0 FCADLP Cc1ccnc(N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736939 1218862238 /nfs/dbraw/zinc/86/22/38/1218862238.db2.gz UMVUCTQODYUKQT-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cc1ccnc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2c2c[nH+]cn2C)n1 ZINC001052736939 1218862239 /nfs/dbraw/zinc/86/22/39/1218862239.db2.gz UMVUCTQODYUKQT-ARFHVFGLSA-N 2 2 369.473 0.877 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145875 1225851459 /nfs/dbraw/zinc/85/14/59/1225851459.db2.gz DEWHUCNNECBGTN-QGZVFWFLSA-N 2 2 358.402 0.388 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c(=O)[nH]c2=O)C1=O ZINC001277145875 1225851460 /nfs/dbraw/zinc/85/14/60/1225851460.db2.gz DEWHUCNNECBGTN-QGZVFWFLSA-N 2 2 358.402 0.388 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001226697569 1225852428 /nfs/dbraw/zinc/85/24/28/1225852428.db2.gz ZIGJNOOAQLLDKF-HUUCEWRRSA-N 2 2 361.446 0.508 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001226697569 1225852431 /nfs/dbraw/zinc/85/24/31/1225852431.db2.gz ZIGJNOOAQLLDKF-HUUCEWRRSA-N 2 2 361.446 0.508 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001226697009 1225852600 /nfs/dbraw/zinc/85/26/00/1225852600.db2.gz PTMMWCNLCBIMLW-GVDBMIGSSA-N 2 2 360.462 0.617 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001226697009 1225852601 /nfs/dbraw/zinc/85/26/01/1225852601.db2.gz PTMMWCNLCBIMLW-GVDBMIGSSA-N 2 2 360.462 0.617 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@@H+]1C ZINC001054134671 1218899190 /nfs/dbraw/zinc/89/91/90/1218899190.db2.gz KNIRWVYBYSXDGZ-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4nncn4C)C3)C2)CC[N@H+]1C ZINC001054134671 1218899192 /nfs/dbraw/zinc/89/91/92/1218899192.db2.gz KNIRWVYBYSXDGZ-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001054134671 1218899193 /nfs/dbraw/zinc/89/91/93/1218899193.db2.gz KNIRWVYBYSXDGZ-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](Cc4nncn4C)C3)C2)CC[NH+]1C ZINC001054134671 1218899195 /nfs/dbraw/zinc/89/91/95/1218899195.db2.gz KNIRWVYBYSXDGZ-GPMSIDNRSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cnon4)C3)C2)O1 ZINC001054154879 1218899588 /nfs/dbraw/zinc/89/95/88/1218899588.db2.gz XOFBXJWZTRLHJJ-QGPMSJSTSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@]3(CC[NH+](Cc4cnon4)C3)C2)O1 ZINC001054154879 1218899589 /nfs/dbraw/zinc/89/95/89/1218899589.db2.gz XOFBXJWZTRLHJJ-QGPMSJSTSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@]3(CC[N@H+](Cc4cnon4)C3)C2)O1 ZINC001054154879 1218899591 /nfs/dbraw/zinc/89/95/91/1218899591.db2.gz XOFBXJWZTRLHJJ-QGPMSJSTSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@]3(CC[N@@H+](Cc4cnon4)C3)C2)O1 ZINC001054154879 1218899592 /nfs/dbraw/zinc/89/95/92/1218899592.db2.gz XOFBXJWZTRLHJJ-QGPMSJSTSA-N 2 2 363.462 0.603 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001055362124 1219034362 /nfs/dbraw/zinc/03/43/62/1219034362.db2.gz KFSXHIGYUYYZIF-XNISGKROSA-N 2 2 369.473 0.931 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001055362124 1219034364 /nfs/dbraw/zinc/03/43/64/1219034364.db2.gz KFSXHIGYUYYZIF-XNISGKROSA-N 2 2 369.473 0.931 20 0 FCADLP CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227176321 1225865263 /nfs/dbraw/zinc/86/52/63/1225865263.db2.gz WOKMEDXMEZAZPW-ARFHVFGLSA-N 2 2 361.490 0.941 20 0 FCADLP C/C=C(\C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055595571 1219095156 /nfs/dbraw/zinc/09/51/56/1219095156.db2.gz ZIRMRZOFILSZOJ-MMNVJINWSA-N 2 2 366.506 0.369 20 0 FCADLP C/C=C(\C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055595571 1219095160 /nfs/dbraw/zinc/09/51/60/1219095160.db2.gz ZIRMRZOFILSZOJ-MMNVJINWSA-N 2 2 366.506 0.369 20 0 FCADLP CC[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055595565 1219095278 /nfs/dbraw/zinc/09/52/78/1219095278.db2.gz ZHLQXMFODCTJAU-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP CC[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055595565 1219095284 /nfs/dbraw/zinc/09/52/84/1219095284.db2.gz ZHLQXMFODCTJAU-BFYDXBDKSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055609050 1219097858 /nfs/dbraw/zinc/09/78/58/1219097858.db2.gz KPWHPQFWDRSOTH-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055609050 1219097862 /nfs/dbraw/zinc/09/78/62/1219097862.db2.gz KPWHPQFWDRSOTH-MUIFIZLQSA-N 2 2 366.506 0.058 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055739 1219109499 /nfs/dbraw/zinc/10/94/99/1219109499.db2.gz HOXQOZHTMGFSNJ-USXIJHARSA-N 2 2 374.441 0.041 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804055739 1219109504 /nfs/dbraw/zinc/10/95/04/1219109504.db2.gz HOXQOZHTMGFSNJ-USXIJHARSA-N 2 2 374.441 0.041 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097228 1219169247 /nfs/dbraw/zinc/16/92/47/1219169247.db2.gz IAORJIOQOSIDMW-KFWWJZLASA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncoc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097228 1219169249 /nfs/dbraw/zinc/16/92/49/1219169249.db2.gz IAORJIOQOSIDMW-KFWWJZLASA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097228 1219169253 /nfs/dbraw/zinc/16/92/53/1219169253.db2.gz IAORJIOQOSIDMW-KFWWJZLASA-N 2 2 359.434 0.068 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097228 1219169258 /nfs/dbraw/zinc/16/92/58/1219169258.db2.gz IAORJIOQOSIDMW-KFWWJZLASA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097264 1219169554 /nfs/dbraw/zinc/16/95/54/1219169554.db2.gz KGAADNNNMWYDNF-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097264 1219169560 /nfs/dbraw/zinc/16/95/60/1219169560.db2.gz KGAADNNNMWYDNF-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097264 1219169564 /nfs/dbraw/zinc/16/95/64/1219169564.db2.gz KGAADNNNMWYDNF-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097264 1219169568 /nfs/dbraw/zinc/16/95/68/1219169568.db2.gz KGAADNNNMWYDNF-IMJJTQAJSA-N 2 2 359.434 0.068 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccon3)[C@@H](n3ccnn3)C2)CC1 ZINC001070265346 1219333100 /nfs/dbraw/zinc/33/31/00/1219333100.db2.gz CJWMXUWDAVIIRV-CVEARBPZSA-N 2 2 359.434 0.150 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001070284445 1219348944 /nfs/dbraw/zinc/34/89/44/1219348944.db2.gz CTKWDUJSZFSBOC-KGLIPLIRSA-N 2 2 365.388 0.631 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070303384 1219361858 /nfs/dbraw/zinc/36/18/58/1219361858.db2.gz UYRIJTQLVREFPQ-CVEARBPZSA-N 2 2 351.414 0.786 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070319851 1219373290 /nfs/dbraw/zinc/37/32/90/1219373290.db2.gz JUTXNOHXGAIBOS-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC2CC2)CC1 ZINC001070384768 1219408640 /nfs/dbraw/zinc/40/86/40/1219408640.db2.gz IGTQDEHGUJXLDC-APWZRJJASA-N 2 2 359.474 0.769 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+]Cc2ccnn2C)c1 ZINC001070540745 1219460029 /nfs/dbraw/zinc/46/00/29/1219460029.db2.gz HJKMXMIDKWEULQ-DOTOQJQBSA-N 2 2 368.445 0.204 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001070723866 1219544116 /nfs/dbraw/zinc/54/41/16/1219544116.db2.gz UYYQKCDTNPJOEG-IAGOWNOFSA-N 2 2 365.441 0.796 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922262 1219578998 /nfs/dbraw/zinc/57/89/98/1219578998.db2.gz FNOBKDDAGBLAEM-BMFZPTHFSA-N 2 2 361.446 0.479 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001070922262 1219579001 /nfs/dbraw/zinc/57/90/01/1219579001.db2.gz FNOBKDDAGBLAEM-BMFZPTHFSA-N 2 2 361.446 0.479 20 0 FCADLP CC(C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)[NH+]1CCOCC1 ZINC001071094598 1219604681 /nfs/dbraw/zinc/60/46/81/1219604681.db2.gz MSWMXYKWMJCWJI-SJORKVTESA-N 2 2 369.506 0.075 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2CCOC2)CC1 ZINC001071107845 1219609281 /nfs/dbraw/zinc/60/92/81/1219609281.db2.gz POVPQQVQPQOSHL-WDYCEAGBSA-N 2 2 362.474 0.905 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001071362457 1219614812 /nfs/dbraw/zinc/61/48/12/1219614812.db2.gz NXFIUKDFJCOHND-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP CCc1cnc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849536 1219624807 /nfs/dbraw/zinc/62/48/07/1219624807.db2.gz FXHUWUBKRHOLAP-GDBMZVCRSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1cnc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849536 1219624811 /nfs/dbraw/zinc/62/48/11/1219624811.db2.gz FXHUWUBKRHOLAP-GDBMZVCRSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1cnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849536 1219624813 /nfs/dbraw/zinc/62/48/13/1219624813.db2.gz FXHUWUBKRHOLAP-GDBMZVCRSA-N 2 2 362.474 0.990 20 0 FCADLP CCc1cnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849536 1219624815 /nfs/dbraw/zinc/62/48/15/1219624815.db2.gz FXHUWUBKRHOLAP-GDBMZVCRSA-N 2 2 362.474 0.990 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001277283061 1225905511 /nfs/dbraw/zinc/90/55/11/1225905511.db2.gz OZEUGYLXIUSXOB-HNNXBMFYSA-N 2 2 356.430 0.834 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001073239179 1219645125 /nfs/dbraw/zinc/64/51/25/1219645125.db2.gz DZNNSGLRRGJNNV-HUUCEWRRSA-N 2 2 361.490 0.973 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001098218103 1219741722 /nfs/dbraw/zinc/74/17/22/1219741722.db2.gz VCGOACZYMFYAKF-OIISXLGYSA-N 2 2 359.474 0.697 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001098218103 1219741725 /nfs/dbraw/zinc/74/17/25/1219741725.db2.gz VCGOACZYMFYAKF-OIISXLGYSA-N 2 2 359.474 0.697 20 0 FCADLP COc1cncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001098225025 1219744106 /nfs/dbraw/zinc/74/41/06/1219744106.db2.gz QTNMBKSKWGEWOD-OAGGEKHMSA-N 2 2 357.458 0.803 20 0 FCADLP COc1cncc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)n1 ZINC001098225025 1219744107 /nfs/dbraw/zinc/74/41/07/1219744107.db2.gz QTNMBKSKWGEWOD-OAGGEKHMSA-N 2 2 357.458 0.803 20 0 FCADLP C[C@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398402 1219773198 /nfs/dbraw/zinc/77/31/98/1219773198.db2.gz SGXMZGVRQJACFF-USXIJHARSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398402 1219773201 /nfs/dbraw/zinc/77/32/01/1219773201.db2.gz SGXMZGVRQJACFF-USXIJHARSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@H](O)CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398402 1219773204 /nfs/dbraw/zinc/77/32/04/1219773204.db2.gz SGXMZGVRQJACFF-USXIJHARSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@H](O)CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398402 1219773207 /nfs/dbraw/zinc/77/32/07/1219773207.db2.gz SGXMZGVRQJACFF-USXIJHARSA-N 2 2 364.490 0.960 20 0 FCADLP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001098401722 1219773926 /nfs/dbraw/zinc/77/39/26/1219773926.db2.gz LVUILDJEEDMUKN-HZMVEIRTSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)CCO1 ZINC001098401722 1219773930 /nfs/dbraw/zinc/77/39/30/1219773930.db2.gz LVUILDJEEDMUKN-HZMVEIRTSA-N 2 2 364.490 0.051 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001098407469 1219775112 /nfs/dbraw/zinc/77/51/12/1219775112.db2.gz IYKJATIUHGEILR-WCXIOVBPSA-N 2 2 359.474 0.922 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001098407469 1219775117 /nfs/dbraw/zinc/77/51/17/1219775117.db2.gz IYKJATIUHGEILR-WCXIOVBPSA-N 2 2 359.474 0.922 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774265 1219824024 /nfs/dbraw/zinc/82/40/24/1219824024.db2.gz XWUAVKSECKFNGT-WDYCEAGBSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774265 1219824026 /nfs/dbraw/zinc/82/40/26/1219824026.db2.gz XWUAVKSECKFNGT-WDYCEAGBSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098774265 1219824029 /nfs/dbraw/zinc/82/40/29/1219824029.db2.gz XWUAVKSECKFNGT-WDYCEAGBSA-N 2 2 361.490 0.264 20 0 FCADLP Cn1nccc1CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098774265 1219824031 /nfs/dbraw/zinc/82/40/31/1219824031.db2.gz XWUAVKSECKFNGT-WDYCEAGBSA-N 2 2 361.490 0.264 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246390 1219889245 /nfs/dbraw/zinc/88/92/45/1219889245.db2.gz NZNZCHIBFFWMDT-KGLIPLIRSA-N 2 2 361.446 0.374 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246390 1219889246 /nfs/dbraw/zinc/88/92/46/1219889246.db2.gz NZNZCHIBFFWMDT-KGLIPLIRSA-N 2 2 361.446 0.374 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465089 1219897673 /nfs/dbraw/zinc/89/76/73/1219897673.db2.gz CUGBKZYRYHJSTQ-KFWWJZLASA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465089 1219897676 /nfs/dbraw/zinc/89/76/76/1219897676.db2.gz CUGBKZYRYHJSTQ-KFWWJZLASA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465089 1219897679 /nfs/dbraw/zinc/89/76/79/1219897679.db2.gz CUGBKZYRYHJSTQ-KFWWJZLASA-N 2 2 367.494 0.284 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465089 1219897684 /nfs/dbraw/zinc/89/76/84/1219897684.db2.gz CUGBKZYRYHJSTQ-KFWWJZLASA-N 2 2 367.494 0.284 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120712 1219919864 /nfs/dbraw/zinc/91/98/64/1219919864.db2.gz HFHLASVUDQXPNG-QOKNQOGYSA-N 2 2 359.474 0.554 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001099120712 1219919867 /nfs/dbraw/zinc/91/98/67/1219919867.db2.gz HFHLASVUDQXPNG-QOKNQOGYSA-N 2 2 359.474 0.554 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099161128 1219936537 /nfs/dbraw/zinc/93/65/37/1219936537.db2.gz YRIBCKFJYOLWIT-MPGHIAIKSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099161128 1219936539 /nfs/dbraw/zinc/93/65/39/1219936539.db2.gz YRIBCKFJYOLWIT-MPGHIAIKSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099161128 1219936542 /nfs/dbraw/zinc/93/65/42/1219936542.db2.gz YRIBCKFJYOLWIT-MPGHIAIKSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099161128 1219936544 /nfs/dbraw/zinc/93/65/44/1219936544.db2.gz YRIBCKFJYOLWIT-MPGHIAIKSA-N 2 2 361.494 0.676 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001099184196 1219943386 /nfs/dbraw/zinc/94/33/86/1219943386.db2.gz DKNDORWHMBFVJO-BXWFABGCSA-N 2 2 359.474 0.863 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001099184196 1219943389 /nfs/dbraw/zinc/94/33/89/1219943389.db2.gz DKNDORWHMBFVJO-BXWFABGCSA-N 2 2 359.474 0.863 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099184485 1219944802 /nfs/dbraw/zinc/94/48/02/1219944802.db2.gz RNKPWJQYMWRSKN-MPGHIAIKSA-N 2 2 355.446 0.633 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCc3ncnn31)C2 ZINC001099184485 1219944807 /nfs/dbraw/zinc/94/48/07/1219944807.db2.gz RNKPWJQYMWRSKN-MPGHIAIKSA-N 2 2 355.446 0.633 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001099287505 1219961789 /nfs/dbraw/zinc/96/17/89/1219961789.db2.gz KJZUTLQQCNLROS-CHWSQXEVSA-N 2 2 371.367 0.544 20 0 FCADLP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH+]c[nH]2)C3)nn1 ZINC001099506635 1220017760 /nfs/dbraw/zinc/01/77/60/1220017760.db2.gz RSDOFXBHTZPMBU-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099533517 1220025575 /nfs/dbraw/zinc/02/55/75/1220025575.db2.gz UGSRJISCGHFSLW-KXBFYZLASA-N 2 2 371.489 0.900 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)no1 ZINC001228800257 1225951239 /nfs/dbraw/zinc/95/12/39/1225951239.db2.gz GIOYXXYJHSGXQI-ZIAGYGMSSA-N 2 2 360.418 0.904 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001101257392 1220250543 /nfs/dbraw/zinc/25/05/43/1220250543.db2.gz RTDIBDBBFNYEJE-RKVPGOIHSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3nncn3C)C[C@@]2(C)C1 ZINC001101257392 1220250546 /nfs/dbraw/zinc/25/05/46/1220250546.db2.gz RTDIBDBBFNYEJE-RKVPGOIHSA-N 2 2 366.485 0.775 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001101278285 1220264672 /nfs/dbraw/zinc/26/46/72/1220264672.db2.gz BQGIQBMDYWFSNG-CLCXKQKWSA-N 2 2 358.442 0.964 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001101278285 1220264675 /nfs/dbraw/zinc/26/46/75/1220264675.db2.gz BQGIQBMDYWFSNG-CLCXKQKWSA-N 2 2 358.442 0.964 20 0 FCADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000759145271 1220292719 /nfs/dbraw/zinc/29/27/19/1220292719.db2.gz FKFZLFKXAQULBV-OAHLLOKOSA-N 2 2 360.462 0.839 20 0 FCADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000759145271 1220292724 /nfs/dbraw/zinc/29/27/24/1220292724.db2.gz FKFZLFKXAQULBV-OAHLLOKOSA-N 2 2 360.462 0.839 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342882 1220295455 /nfs/dbraw/zinc/29/54/55/1220295455.db2.gz RUANBWGMVGWZRD-CPUCHLNUSA-N 2 2 361.494 0.393 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342882 1220295460 /nfs/dbraw/zinc/29/54/60/1220295460.db2.gz RUANBWGMVGWZRD-CPUCHLNUSA-N 2 2 361.494 0.393 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)Nc3cnccn3)C[C@@]2(C)C1 ZINC001101351005 1220297574 /nfs/dbraw/zinc/29/75/74/1220297574.db2.gz OWUWMCVHHBJTRO-KDOFPFPSSA-N 2 2 360.462 0.147 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)Nc3cnccn3)C[C@@]2(C)C1 ZINC001101351005 1220297580 /nfs/dbraw/zinc/29/75/80/1220297580.db2.gz OWUWMCVHHBJTRO-KDOFPFPSSA-N 2 2 360.462 0.147 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CC1 ZINC001101375452 1220308715 /nfs/dbraw/zinc/30/87/15/1220308715.db2.gz UAYGAGHNFHCDIW-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1)C1CC1 ZINC001101375452 1220308718 /nfs/dbraw/zinc/30/87/18/1220308718.db2.gz UAYGAGHNFHCDIW-KUHUBIRLSA-N 2 2 359.474 0.743 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418567 1220333417 /nfs/dbraw/zinc/33/34/17/1220333417.db2.gz YKJXFTHBHDJUAY-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418567 1220333422 /nfs/dbraw/zinc/33/34/22/1220333422.db2.gz YKJXFTHBHDJUAY-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418567 1220333426 /nfs/dbraw/zinc/33/34/26/1220333426.db2.gz YKJXFTHBHDJUAY-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418567 1220333433 /nfs/dbraw/zinc/33/34/33/1220333433.db2.gz YKJXFTHBHDJUAY-QAPCUYQASA-N 2 2 363.510 0.705 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(c2[nH+]cnc3c2cnn3C)C2CC2)CC[N@@H+]1C ZINC001101463205 1220359871 /nfs/dbraw/zinc/35/98/71/1220359871.db2.gz LDPHQNLMEDXOKU-TZMCWYRMSA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(c2[nH+]cnc3c2cnn3C)C2CC2)CC[N@H+]1C ZINC001101463205 1220359876 /nfs/dbraw/zinc/35/98/76/1220359876.db2.gz LDPHQNLMEDXOKU-TZMCWYRMSA-N 2 2 357.462 0.789 20 0 FCADLP Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001101473014 1220364438 /nfs/dbraw/zinc/36/44/38/1220364438.db2.gz BISYZUFTZSJNNP-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)CCC[NH+]4CCCC4)C[C@]3(C)C2)n1 ZINC001101473014 1220364445 /nfs/dbraw/zinc/36/44/45/1220364445.db2.gz BISYZUFTZSJNNP-APWZRJJASA-N 2 2 360.506 0.971 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047546 1220477349 /nfs/dbraw/zinc/47/73/49/1220477349.db2.gz KSYQTNSZOFKNKS-FRFSOERESA-N 2 2 366.485 0.772 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047546 1220477352 /nfs/dbraw/zinc/47/73/52/1220477352.db2.gz KSYQTNSZOFKNKS-FRFSOERESA-N 2 2 366.485 0.772 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102047722 1220477410 /nfs/dbraw/zinc/47/74/10/1220477410.db2.gz RDMUDZYGXPHMEH-ZIAGYGMSSA-N 2 2 363.462 0.782 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccon2)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102047722 1220477413 /nfs/dbraw/zinc/47/74/13/1220477413.db2.gz RDMUDZYGXPHMEH-ZIAGYGMSSA-N 2 2 363.462 0.782 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048807 1220477420 /nfs/dbraw/zinc/47/74/20/1220477420.db2.gz PMRMYYQJOHUPQI-UNEWFSDZSA-N 2 2 363.510 0.607 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048807 1220477422 /nfs/dbraw/zinc/47/74/22/1220477422.db2.gz PMRMYYQJOHUPQI-UNEWFSDZSA-N 2 2 363.510 0.607 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)c[nH+]1 ZINC001102080097 1220489814 /nfs/dbraw/zinc/48/98/14/1220489814.db2.gz QVKMAVUTAFIAAE-FVQBIDKESA-N 2 2 361.490 0.889 20 0 FCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)c[nH+]1 ZINC001102080097 1220489820 /nfs/dbraw/zinc/48/98/20/1220489820.db2.gz QVKMAVUTAFIAAE-FVQBIDKESA-N 2 2 361.490 0.889 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102156543 1220527823 /nfs/dbraw/zinc/52/78/23/1220527823.db2.gz YNPIYPIYSZKHRA-UKRRQHHQSA-N 2 2 360.466 0.643 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)C)C[C@H]1C ZINC001102156543 1220527828 /nfs/dbraw/zinc/52/78/28/1220527828.db2.gz YNPIYPIYSZKHRA-UKRRQHHQSA-N 2 2 360.466 0.643 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185762 1220541426 /nfs/dbraw/zinc/54/14/26/1220541426.db2.gz RXVDQFGSCWLZIY-FRFSOERESA-N 2 2 361.494 0.269 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185762 1220541432 /nfs/dbraw/zinc/54/14/32/1220541432.db2.gz RXVDQFGSCWLZIY-FRFSOERESA-N 2 2 361.494 0.269 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102203924 1220549605 /nfs/dbraw/zinc/54/96/05/1220549605.db2.gz MWSLHHPICGKSNC-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@H](C)C2)C1=O ZINC001102203924 1220549608 /nfs/dbraw/zinc/54/96/08/1220549608.db2.gz MWSLHHPICGKSNC-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380687 1220601444 /nfs/dbraw/zinc/60/14/44/1220601444.db2.gz SACAHFLRPSJWAF-KLHDSHLOSA-N 2 2 361.490 0.686 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102380687 1220601449 /nfs/dbraw/zinc/60/14/49/1220601449.db2.gz SACAHFLRPSJWAF-KLHDSHLOSA-N 2 2 361.490 0.686 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3cc(F)ncn3)CC2)CC[N@@H+]1C ZINC001102425271 1220620814 /nfs/dbraw/zinc/62/08/14/1220620814.db2.gz QOPHKGDFBRQVIG-HUUCEWRRSA-N 2 2 364.469 0.536 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3cc(F)ncn3)CC2)CC[N@H+]1C ZINC001102425271 1220620817 /nfs/dbraw/zinc/62/08/17/1220620817.db2.gz QOPHKGDFBRQVIG-HUUCEWRRSA-N 2 2 364.469 0.536 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482954 1220648352 /nfs/dbraw/zinc/64/83/52/1220648352.db2.gz QBHVQXXHTZJTGN-FMKPAKJESA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482954 1220648354 /nfs/dbraw/zinc/64/83/54/1220648354.db2.gz QBHVQXXHTZJTGN-FMKPAKJESA-N 2 2 359.474 0.790 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513246 1220672107 /nfs/dbraw/zinc/67/21/07/1220672107.db2.gz BIMARWDUMWQREB-HUUCEWRRSA-N 2 2 363.506 0.809 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513246 1220672111 /nfs/dbraw/zinc/67/21/11/1220672111.db2.gz BIMARWDUMWQREB-HUUCEWRRSA-N 2 2 363.506 0.809 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514360 1220673443 /nfs/dbraw/zinc/67/34/43/1220673443.db2.gz UVYCTULTZRLNGZ-QLFBSQMISA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514360 1220673446 /nfs/dbraw/zinc/67/34/46/1220673446.db2.gz UVYCTULTZRLNGZ-QLFBSQMISA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514360 1220673449 /nfs/dbraw/zinc/67/34/49/1220673449.db2.gz UVYCTULTZRLNGZ-QLFBSQMISA-N 2 2 361.494 0.534 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514360 1220673452 /nfs/dbraw/zinc/67/34/52/1220673452.db2.gz UVYCTULTZRLNGZ-QLFBSQMISA-N 2 2 361.494 0.534 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102532188 1220684874 /nfs/dbraw/zinc/68/48/74/1220684874.db2.gz ZAUGKSYJENEJDR-BPLDGKMQSA-N 2 2 357.462 0.724 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1C ZINC001102532188 1220684878 /nfs/dbraw/zinc/68/48/78/1220684878.db2.gz ZAUGKSYJENEJDR-BPLDGKMQSA-N 2 2 357.462 0.724 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580999 1220703660 /nfs/dbraw/zinc/70/36/60/1220703660.db2.gz UZJANPSJGZBITQ-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC001102580999 1220703665 /nfs/dbraw/zinc/70/36/65/1220703665.db2.gz UZJANPSJGZBITQ-CZUORRHYSA-N 2 2 359.478 0.996 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102601342 1220723778 /nfs/dbraw/zinc/72/37/78/1220723778.db2.gz YQLKRGHGHGMQMJ-HUUCEWRRSA-N 2 2 365.526 0.952 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102601342 1220723784 /nfs/dbraw/zinc/72/37/84/1220723784.db2.gz YQLKRGHGHGMQMJ-HUUCEWRRSA-N 2 2 365.526 0.952 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102601342 1220723787 /nfs/dbraw/zinc/72/37/87/1220723787.db2.gz YQLKRGHGHGMQMJ-HUUCEWRRSA-N 2 2 365.526 0.952 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1C ZINC001102601342 1220723795 /nfs/dbraw/zinc/72/37/95/1220723795.db2.gz YQLKRGHGHGMQMJ-HUUCEWRRSA-N 2 2 365.526 0.952 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613623 1220731883 /nfs/dbraw/zinc/73/18/83/1220731883.db2.gz NFTKZXGUEDYONX-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613623 1220731887 /nfs/dbraw/zinc/73/18/87/1220731887.db2.gz NFTKZXGUEDYONX-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613860 1220733162 /nfs/dbraw/zinc/73/31/62/1220733162.db2.gz YUBHZHWLXYUKCU-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613860 1220733166 /nfs/dbraw/zinc/73/31/66/1220733166.db2.gz YUBHZHWLXYUKCU-IAGOWNOFSA-N 2 2 361.490 0.970 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819541 1220791832 /nfs/dbraw/zinc/79/18/32/1220791832.db2.gz UUCMKQAYIUSFHA-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819541 1220791839 /nfs/dbraw/zinc/79/18/39/1220791839.db2.gz UUCMKQAYIUSFHA-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819541 1220791846 /nfs/dbraw/zinc/79/18/46/1220791846.db2.gz UUCMKQAYIUSFHA-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819541 1220791852 /nfs/dbraw/zinc/79/18/52/1220791852.db2.gz UUCMKQAYIUSFHA-DJIMGWMZSA-N 2 2 361.490 0.690 20 0 FCADLP CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819387 1220792150 /nfs/dbraw/zinc/79/21/50/1220792150.db2.gz SAWQGPFSRYWLNG-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819387 1220792158 /nfs/dbraw/zinc/79/21/58/1220792158.db2.gz SAWQGPFSRYWLNG-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001102819387 1220792163 /nfs/dbraw/zinc/79/21/63/1220792163.db2.gz SAWQGPFSRYWLNG-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CCc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001102819387 1220792172 /nfs/dbraw/zinc/79/21/72/1220792172.db2.gz SAWQGPFSRYWLNG-KFWWJZLASA-N 2 2 365.478 0.537 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163144 1220842784 /nfs/dbraw/zinc/84/27/84/1220842784.db2.gz YIWFSPDJKMXSGG-VHDGCEQUSA-N 2 2 361.490 0.643 20 0 FCADLP 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CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103394975 1220877415 /nfs/dbraw/zinc/87/74/15/1220877415.db2.gz REMAGSWLVYMJHS-UNEWFSDZSA-N 2 2 367.469 0.891 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001103394975 1220877417 /nfs/dbraw/zinc/87/74/17/1220877417.db2.gz REMAGSWLVYMJHS-UNEWFSDZSA-N 2 2 367.469 0.891 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103394975 1220877419 /nfs/dbraw/zinc/87/74/19/1220877419.db2.gz REMAGSWLVYMJHS-UNEWFSDZSA-N 2 2 367.469 0.891 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001103394975 1220877420 /nfs/dbraw/zinc/87/74/20/1220877420.db2.gz REMAGSWLVYMJHS-UNEWFSDZSA-N 2 2 367.469 0.891 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001103779691 1220972675 /nfs/dbraw/zinc/97/26/75/1220972675.db2.gz BZKBSKSRWBVDQJ-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP 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C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111676958 1221060883 /nfs/dbraw/zinc/06/08/83/1221060883.db2.gz JVFPXZXAIQCVCI-DOXZYTNZSA-N 2 2 366.506 0.202 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111676958 1221060887 /nfs/dbraw/zinc/06/08/87/1221060887.db2.gz JVFPXZXAIQCVCI-DOXZYTNZSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111676958 1221060889 /nfs/dbraw/zinc/06/08/89/1221060889.db2.gz JVFPXZXAIQCVCI-DOXZYTNZSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC(C)(C)C)C3)C1 ZINC001111676958 1221060893 /nfs/dbraw/zinc/06/08/93/1221060893.db2.gz JVFPXZXAIQCVCI-DOXZYTNZSA-N 2 2 366.506 0.202 20 0 FCADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](C)C3CCC3)C2)nc1=O ZINC001111777972 1221103758 /nfs/dbraw/zinc/10/37/58/1221103758.db2.gz ASRSYAWKUIVPBE-UGSOOPFHSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+](C)C3CCC3)C2)nc1=O ZINC001111777972 1221103761 /nfs/dbraw/zinc/10/37/61/1221103761.db2.gz ASRSYAWKUIVPBE-UGSOOPFHSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@H+](C)C3CCC3)C2)nc1=O ZINC001111777972 1221103764 /nfs/dbraw/zinc/10/37/64/1221103764.db2.gz ASRSYAWKUIVPBE-UGSOOPFHSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1[nH]c(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)C[N@@H+](C)C3CCC3)C2)nc1=O ZINC001111777972 1221103769 /nfs/dbraw/zinc/10/37/69/1221103769.db2.gz ASRSYAWKUIVPBE-UGSOOPFHSA-N 2 2 362.478 0.063 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC1)C2 ZINC001111816066 1221124170 /nfs/dbraw/zinc/12/41/70/1221124170.db2.gz LOYLKWLBRMAAMM-KXBFYZLASA-N 2 2 359.474 0.556 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC1)C2 ZINC001111816066 1221124182 /nfs/dbraw/zinc/12/41/82/1221124182.db2.gz LOYLKWLBRMAAMM-KXBFYZLASA-N 2 2 359.474 0.556 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001111826580 1221127987 /nfs/dbraw/zinc/12/79/87/1221127987.db2.gz PKUGHKDDQKUMRB-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001111826580 1221127990 /nfs/dbraw/zinc/12/79/90/1221127990.db2.gz PKUGHKDDQKUMRB-BXWFABGCSA-N 2 2 359.474 0.865 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nnnn1C1CC1)C2 ZINC001111926700 1221173471 /nfs/dbraw/zinc/17/34/71/1221173471.db2.gz DRHIFYQSURYCKH-KSSFIOAISA-N 2 2 361.494 0.821 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nnnn1C1CC1)C2 ZINC001111926700 1221173473 /nfs/dbraw/zinc/17/34/73/1221173473.db2.gz DRHIFYQSURYCKH-KSSFIOAISA-N 2 2 361.494 0.821 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC001111926700 1221173477 /nfs/dbraw/zinc/17/34/77/1221173477.db2.gz DRHIFYQSURYCKH-KSSFIOAISA-N 2 2 361.494 0.821 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC001111926700 1221173479 /nfs/dbraw/zinc/17/34/79/1221173479.db2.gz DRHIFYQSURYCKH-KSSFIOAISA-N 2 2 361.494 0.821 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938016 1221179040 /nfs/dbraw/zinc/17/90/40/1221179040.db2.gz HOAZRTXJQUNDFT-VCBZYWHSSA-N 2 2 361.490 0.848 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001111938016 1221179042 /nfs/dbraw/zinc/17/90/42/1221179042.db2.gz HOAZRTXJQUNDFT-VCBZYWHSSA-N 2 2 361.490 0.848 20 0 FCADLP O=C(CC[NH+]1CCC2(COC(=O)N2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000784460136 1221243771 /nfs/dbraw/zinc/24/37/71/1221243771.db2.gz RZEHJSHALMEISF-UHFFFAOYSA-N 2 2 373.457 0.695 20 0 FCADLP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001112362105 1221246326 /nfs/dbraw/zinc/24/63/26/1221246326.db2.gz XVVSXPJYHPWPSQ-LIRRHRJNSA-N 2 2 359.474 0.466 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683513 1226028164 /nfs/dbraw/zinc/02/81/64/1226028164.db2.gz XNXBIYQOEXGTDN-HZPDHXFCSA-N 2 2 365.478 0.132 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)CC1 ZINC000798412721 1221285007 /nfs/dbraw/zinc/28/50/07/1221285007.db2.gz GJCODZIBFDXMEV-YCPHGPKFSA-N 2 2 365.478 0.295 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)CC1 ZINC000798412721 1221285010 /nfs/dbraw/zinc/28/50/10/1221285010.db2.gz GJCODZIBFDXMEV-YCPHGPKFSA-N 2 2 365.478 0.295 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001116314034 1221352774 /nfs/dbraw/zinc/35/27/74/1221352774.db2.gz OAGZNUDDFFSYBL-CQSZACIVSA-N 2 2 361.446 0.233 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001116314034 1221352778 /nfs/dbraw/zinc/35/27/78/1221352778.db2.gz OAGZNUDDFFSYBL-CQSZACIVSA-N 2 2 361.446 0.233 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001117045881 1221444637 /nfs/dbraw/zinc/44/46/37/1221444637.db2.gz FXXBMVSQCNRRGK-CQSZACIVSA-N 2 2 372.473 0.836 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC001117985817 1221677747 /nfs/dbraw/zinc/67/77/47/1221677747.db2.gz XERGFJBAOQFYPF-UHFFFAOYSA-N 2 2 368.428 0.740 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC001117985817 1221677752 /nfs/dbraw/zinc/67/77/52/1221677752.db2.gz XERGFJBAOQFYPF-UHFFFAOYSA-N 2 2 368.428 0.740 20 0 FCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)on1 ZINC001230348185 1226077110 /nfs/dbraw/zinc/07/71/10/1226077110.db2.gz VOTUFMCFBRHENV-ZIAGYGMSSA-N 2 2 360.418 0.835 20 0 FCADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001119300821 1221898604 /nfs/dbraw/zinc/89/86/04/1221898604.db2.gz HVEOBAUQNLDXJL-GOSISDBHSA-N 2 2 374.533 0.968 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2F)CN1CC[NH+]1CCOCC1 ZINC001120582331 1222106483 /nfs/dbraw/zinc/10/64/83/1222106483.db2.gz HZQNKBZUTCDLPD-RHSMWYFYSA-N 2 2 369.412 0.521 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)o1 ZINC001277500436 1226103626 /nfs/dbraw/zinc/10/36/26/1226103626.db2.gz ZSGVVVXYZHHZMJ-SFHVURJKSA-N 2 2 359.430 0.991 20 0 FCADLP Cc1nc(C)c(C[N@H+]2CC[C@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)o1 ZINC001277500436 1226103630 /nfs/dbraw/zinc/10/36/30/1226103630.db2.gz ZSGVVVXYZHHZMJ-SFHVURJKSA-N 2 2 359.430 0.991 20 0 FCADLP CC[C@H](C)[NH+]1CCN(c2nnc([C@H](Cc3c[nH]c[nH+]3)NC(C)=O)n2C)CC1 ZINC001121411089 1222175572 /nfs/dbraw/zinc/17/55/72/1222175572.db2.gz JMLWKYDWTWOANT-BBRMVZONSA-N 2 2 374.493 0.879 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001121905764 1222222768 /nfs/dbraw/zinc/22/27/68/1222222768.db2.gz PUTZMWRUCRIYHD-LJQANCHMSA-N 2 2 360.458 0.517 20 0 FCADLP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001121931650 1222226449 /nfs/dbraw/zinc/22/64/49/1222226449.db2.gz QFEYOTUKCPNOKR-SJORKVTESA-N 2 2 363.462 0.626 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001123693428 1222349673 /nfs/dbraw/zinc/34/96/73/1222349673.db2.gz ABNSLPQDDCBJCM-KZNAEPCWSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001123693428 1222349679 /nfs/dbraw/zinc/34/96/79/1222349679.db2.gz ABNSLPQDDCBJCM-KZNAEPCWSA-N 2 2 367.538 0.375 20 0 FCADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001137769857 1222431127 /nfs/dbraw/zinc/43/11/27/1222431127.db2.gz OTUFJZBRJLHXPF-UHFFFAOYSA-N 2 2 371.441 0.567 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4cnc(N)nc4)C3)O2)CC1 ZINC001138164573 1222488378 /nfs/dbraw/zinc/48/83/78/1222488378.db2.gz YFYWUDFOYKHYOX-IEBWSBKVSA-N 2 2 360.506 0.820 20 0 FCADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cnc(N)nc4)C3)O2)CC1 ZINC001138164573 1222488383 /nfs/dbraw/zinc/48/83/83/1222488383.db2.gz YFYWUDFOYKHYOX-IEBWSBKVSA-N 2 2 360.506 0.820 20 0 FCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4cnc(N)nc4)C3)O2)CC1 ZINC001138164573 1222488385 /nfs/dbraw/zinc/48/83/85/1222488385.db2.gz YFYWUDFOYKHYOX-IEBWSBKVSA-N 2 2 360.506 0.820 20 0 FCADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cnc(N)nc4)C3)O2)CC1 ZINC001138164573 1222488390 /nfs/dbraw/zinc/48/83/90/1222488390.db2.gz YFYWUDFOYKHYOX-IEBWSBKVSA-N 2 2 360.506 0.820 20 0 FCADLP Cc1cc(C[NH+]2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)nn1C ZINC001138826995 1222526360 /nfs/dbraw/zinc/52/63/60/1222526360.db2.gz HUTVTSPUYFXSBQ-UHFFFAOYSA-N 2 2 362.522 0.399 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC001139435685 1222550313 /nfs/dbraw/zinc/55/03/13/1222550313.db2.gz ATHNNTXOQCKIOC-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC001139435685 1222550318 /nfs/dbraw/zinc/55/03/18/1222550318.db2.gz ATHNNTXOQCKIOC-QGZVFWFLSA-N 2 2 361.490 0.560 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001232013519 1226136866 /nfs/dbraw/zinc/13/68/66/1226136866.db2.gz QKZVSXGXSJAKTK-ZTFGCOKTSA-N 2 2 364.409 0.982 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001232013519 1226136868 /nfs/dbraw/zinc/13/68/68/1226136868.db2.gz QKZVSXGXSJAKTK-ZTFGCOKTSA-N 2 2 364.409 0.982 20 0 FCADLP C[NH+]1CCN(c2ccc(C[N@H+]3Cc4ccnn4CC[C@@H]3CO)cn2)CC1 ZINC001232362793 1226149121 /nfs/dbraw/zinc/14/91/21/1226149121.db2.gz GACPPTBPSQTTAU-GOSISDBHSA-N 2 2 356.474 0.797 20 0 FCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842058745 1222834333 /nfs/dbraw/zinc/83/43/33/1222834333.db2.gz XGMJOLDTDSEZLW-LJQANCHMSA-N 2 2 353.426 0.843 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000842163750 1222838256 /nfs/dbraw/zinc/83/82/56/1222838256.db2.gz RUWWFHCUVHSKSH-MRXNPFEDSA-N 2 2 370.457 0.792 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cn1 ZINC000842164090 1222838269 /nfs/dbraw/zinc/83/82/69/1222838269.db2.gz UQMFMKKAERHPLN-STQMWFEESA-N 2 2 356.430 0.401 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cn1 ZINC000842164116 1222838388 /nfs/dbraw/zinc/83/83/88/1222838388.db2.gz VCDQMUUXJGAAJP-MRXNPFEDSA-N 2 2 370.457 0.648 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc([C@@H]4C[NH2+]CCO4)n3)cc2)CC1 ZINC000843200517 1222860362 /nfs/dbraw/zinc/86/03/62/1222860362.db2.gz FMCWASXXJPXKLQ-HNNXBMFYSA-N 2 2 357.414 0.785 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000843249617 1222863643 /nfs/dbraw/zinc/86/36/43/1222863643.db2.gz CHKFKOPTTGMUMD-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000843249617 1222863645 /nfs/dbraw/zinc/86/36/45/1222863645.db2.gz CHKFKOPTTGMUMD-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000843249617 1222863646 /nfs/dbraw/zinc/86/36/46/1222863646.db2.gz CHKFKOPTTGMUMD-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP CCCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000843249617 1222863647 /nfs/dbraw/zinc/86/36/47/1222863647.db2.gz CHKFKOPTTGMUMD-IXDOHACOSA-N 2 2 368.522 0.497 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695486 1226160127 /nfs/dbraw/zinc/16/01/27/1226160127.db2.gz BEGBHKOIKZDLNK-IUODEOHRSA-N 2 2 374.363 0.647 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001277695486 1226160131 /nfs/dbraw/zinc/16/01/31/1226160131.db2.gz BEGBHKOIKZDLNK-IUODEOHRSA-N 2 2 374.363 0.647 20 0 FCADLP C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH2+]CC2([NH3+])CCC2)C1=O ZINC000843368807 1222873635 /nfs/dbraw/zinc/87/36/35/1222873635.db2.gz YWGUJAWDNWQNGG-GOSISDBHSA-N 2 2 373.457 0.432 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143306613 1222876847 /nfs/dbraw/zinc/87/68/47/1222876847.db2.gz FZFDHSLBLGXOEX-VQIMIIECSA-N 2 2 367.490 0.583 20 0 FCADLP C1CCN(c2nc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc(N3CCCC3)[nH+]2)C1 ZINC001155627411 1223040048 /nfs/dbraw/zinc/04/00/48/1223040048.db2.gz ZWARILSJYGMFKW-DNVCBOLYSA-N 2 2 373.505 0.817 20 0 FCADLP [NH3+]CCCC[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(=O)N1CCCC1 ZINC001157398627 1223076013 /nfs/dbraw/zinc/07/60/13/1223076013.db2.gz ILVPJVBBAMTVEU-SJORKVTESA-N 3 2 361.490 0.495 20 0 FCADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157610249 1223079496 /nfs/dbraw/zinc/07/94/96/1223079496.db2.gz VHGQXIIHAOSLRJ-PYJQOMOHSA-N 2 2 356.470 0.794 20 0 FCADLP CCOC(=O)C1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C[NH2+]C1 ZINC001157609879 1223079625 /nfs/dbraw/zinc/07/96/25/1223079625.db2.gz KJINUPDBJGSHHG-RMKNXTFCSA-N 2 2 357.454 0.997 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H](Cc2cccc(C)c2)C[NH2+]1 ZINC001158000180 1223086308 /nfs/dbraw/zinc/08/63/08/1223086308.db2.gz WNBCNCBATQUOBT-FGTMMUONSA-N 2 2 359.470 0.879 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](NCc1ccccc1)C(C)(C)[NH3+] ZINC001158000256 1223086403 /nfs/dbraw/zinc/08/64/03/1223086403.db2.gz XASVSADZLQEASS-HOTGVXAUSA-N 2 2 362.474 0.246 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001157999756 1223086470 /nfs/dbraw/zinc/08/64/70/1223086470.db2.gz UDUJNXFEBVYQQI-IRXDYDNUSA-N 2 2 373.453 0.700 20 0 FCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001158261566 1223092232 /nfs/dbraw/zinc/09/22/32/1223092232.db2.gz DHORZVICMUZMGZ-KURKYZTESA-N 2 2 369.506 0.171 20 0 FCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001158261566 1223092236 /nfs/dbraw/zinc/09/22/36/1223092236.db2.gz DHORZVICMUZMGZ-KURKYZTESA-N 2 2 369.506 0.171 20 0 FCADLP C[NH+]1CCC(N(c2cc(N3CCOCC3)[nH+]cn2)C2CC[NH2+]CC2)CC1 ZINC001158575663 1223102817 /nfs/dbraw/zinc/10/28/17/1223102817.db2.gz QCYAKQCIWGSJOR-UHFFFAOYSA-N 3 2 360.506 0.966 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001158698110 1223105596 /nfs/dbraw/zinc/10/55/96/1223105596.db2.gz MAAPDJZFEQEHLS-AWEZNQCLSA-N 2 2 365.478 0.691 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158748273 1223107389 /nfs/dbraw/zinc/10/73/89/1223107389.db2.gz UBIBFWZJSDKEQU-HNNXBMFYSA-N 2 2 355.446 0.731 20 0 FCADLP [NH3+]C1(C(=O)N2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC[NH2+]CC1 ZINC001158925836 1223112974 /nfs/dbraw/zinc/11/29/74/1223112974.db2.gz MRBUMZKLJVVGQJ-LJQANCHMSA-N 2 2 374.460 0.858 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934170 1223113490 /nfs/dbraw/zinc/11/34/90/1223113490.db2.gz FLYYKRFAOFSJIH-YESZJQIVSA-N 2 2 368.441 0.087 20 0 FCADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001159075182 1223116633 /nfs/dbraw/zinc/11/66/33/1223116633.db2.gz DNSMEACHDSQPKS-MKSNKDDYSA-N 2 2 367.490 0.629 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001159075253 1223116676 /nfs/dbraw/zinc/11/66/76/1223116676.db2.gz FLCCGPDNPQMVAP-BXWFABGCSA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001159076240 1223116711 /nfs/dbraw/zinc/11/67/11/1223116711.db2.gz HIYMNMOZSVPHQG-CRAIPNDOSA-N 2 2 365.474 0.241 20 0 FCADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccccc3C[NH3+])C2)C1 ZINC001159127204 1223117896 /nfs/dbraw/zinc/11/78/96/1223117896.db2.gz SFFYVVUCDLNWSL-HXUWFJFHSA-N 2 2 374.485 0.446 20 0 FCADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccccc3C[NH3+])C2)C1 ZINC001159127204 1223117899 /nfs/dbraw/zinc/11/78/99/1223117899.db2.gz SFFYVVUCDLNWSL-HXUWFJFHSA-N 2 2 374.485 0.446 20 0 FCADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C[C@H]21 ZINC001159117756 1223118021 /nfs/dbraw/zinc/11/80/21/1223118021.db2.gz VGOPAWWYPKMESB-YYIAUSFCSA-N 2 2 360.458 0.258 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001159248541 1223121824 /nfs/dbraw/zinc/12/18/24/1223121824.db2.gz UXNSWCWALHJGRL-YESZJQIVSA-N 2 2 368.441 0.385 20 0 FCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001159382442 1223125453 /nfs/dbraw/zinc/12/54/53/1223125453.db2.gz RCNVFXXNLNOBSC-BBRMVZONSA-N 2 2 361.490 0.945 20 0 FCADLP C[C@@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610836 1223131202 /nfs/dbraw/zinc/13/12/02/1223131202.db2.gz UYFSPCDXDIKZCQ-MLGOLLRUSA-N 2 2 374.489 0.246 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001159701823 1223134695 /nfs/dbraw/zinc/13/46/95/1223134695.db2.gz ZXFHZKNKBILROV-DLBZAZTESA-N 2 2 367.453 0.802 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856617 1223138542 /nfs/dbraw/zinc/13/85/42/1223138542.db2.gz VKPMCPZWYLMNEY-DOTOQJQBSA-N 3 2 362.449 0.571 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856617 1223138544 /nfs/dbraw/zinc/13/85/44/1223138544.db2.gz VKPMCPZWYLMNEY-DOTOQJQBSA-N 3 2 362.449 0.571 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C[C@@H]12 ZINC001159989897 1223141745 /nfs/dbraw/zinc/14/17/45/1223141745.db2.gz DUSBFQTVIIKJRN-PNYFIKQUSA-N 2 2 356.470 0.467 20 0 FCADLP CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]12 ZINC001159990860 1223141901 /nfs/dbraw/zinc/14/19/01/1223141901.db2.gz IQMTWQHAFOCFCP-CGBFIWBNSA-N 2 2 356.470 0.324 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCn3cnc(COc4cccnc4)c3C2)C1 ZINC001160017314 1223142932 /nfs/dbraw/zinc/14/29/32/1223142932.db2.gz ROPIBSSGOQIOPT-ZFWWWQNUSA-N 2 2 356.430 0.279 20 0 FCADLP O=C(N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160054034 1223143417 /nfs/dbraw/zinc/14/34/17/1223143417.db2.gz WNFWVCLKQLWBPF-NQIIRXRSSA-N 3 2 369.513 0.848 20 0 FCADLP O=C(N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160054034 1223143420 /nfs/dbraw/zinc/14/34/20/1223143420.db2.gz WNFWVCLKQLWBPF-NQIIRXRSSA-N 3 2 369.513 0.848 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001160050177 1223143552 /nfs/dbraw/zinc/14/35/52/1223143552.db2.gz SSMPKPMVAVOFTD-SZVBFZGTSA-N 2 2 371.441 0.366 20 0 FCADLP Cc1ccc(N(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001160171537 1223147385 /nfs/dbraw/zinc/14/73/85/1223147385.db2.gz NTLQKTOSRIRQAM-KSSFIOAISA-N 3 2 366.469 0.827 20 0 FCADLP O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160200737 1223149717 /nfs/dbraw/zinc/14/97/17/1223149717.db2.gz AEDARESNIZCRNB-LZJOCLMNSA-N 2 2 374.529 0.873 20 0 FCADLP CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001160322406 1223154418 /nfs/dbraw/zinc/15/44/18/1223154418.db2.gz BSICTHZSAUVNGN-YZVOILCLSA-N 2 2 374.489 0.174 20 0 FCADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001160421616 1223159238 /nfs/dbraw/zinc/15/92/38/1223159238.db2.gz CEIKVMPNZMYLRZ-SIZVQLJJSA-N 3 2 357.502 0.830 20 0 FCADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001160421616 1223159241 /nfs/dbraw/zinc/15/92/41/1223159241.db2.gz CEIKVMPNZMYLRZ-SIZVQLJJSA-N 3 2 357.502 0.830 20 0 FCADLP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001160539602 1223164139 /nfs/dbraw/zinc/16/41/39/1223164139.db2.gz XZNXPYVGLWIPPV-LSDHHAIUSA-N 2 2 369.425 0.888 20 0 FCADLP COC(=O)[C@H]1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH2+]1 ZINC001160780453 1223172678 /nfs/dbraw/zinc/17/26/78/1223172678.db2.gz RWAKZRAEWLTYQA-OYRIPWCXSA-N 2 2 357.454 0.527 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)c1 ZINC001160939991 1223181053 /nfs/dbraw/zinc/18/10/53/1223181053.db2.gz AHNXFTWUUPVSIJ-OXJNMPFZSA-N 2 2 374.485 0.312 20 0 FCADLP COCCOc1cccc(N2CCN(C(=O)C3([NH3+])CC[NH2+]CC3)CC2)c1 ZINC001160943949 1223181998 /nfs/dbraw/zinc/18/19/98/1223181998.db2.gz SQSLRMJXNNPMJR-UHFFFAOYSA-N 2 2 362.474 0.441 20 0 FCADLP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2NCCN1CC[NH2+]CC1=O ZINC001161019072 1223183746 /nfs/dbraw/zinc/18/37/46/1223183746.db2.gz JWUSAWMQEIQMIS-UHFFFAOYSA-N 2 2 374.445 0.822 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC001161085159 1223184938 /nfs/dbraw/zinc/18/49/38/1223184938.db2.gz OIWVHDBGZYZFGU-JNNRSPCRSA-N 2 2 361.417 0.492 20 0 FCADLP COC(=O)[C@@H]([NH3+])CC(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090689 1223185575 /nfs/dbraw/zinc/18/55/75/1223185575.db2.gz MTISPIQKRXMYOX-AWEZNQCLSA-N 2 2 357.414 0.605 20 0 FCADLP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161173433 1223188418 /nfs/dbraw/zinc/18/84/18/1223188418.db2.gz ZVJPQANLIKMQCQ-SCRDCRAPSA-N 2 2 360.418 0.259 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001161274292 1223193558 /nfs/dbraw/zinc/19/35/58/1223193558.db2.gz QGQRSCHEQHFJDA-YESZJQIVSA-N 2 2 360.458 0.703 20 0 FCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377549 1223197265 /nfs/dbraw/zinc/19/72/65/1223197265.db2.gz HMFAARYGZJHESP-CVEARBPZSA-N 3 2 368.522 0.850 20 0 FCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001162249055 1223212235 /nfs/dbraw/zinc/21/22/35/1223212235.db2.gz OFYZTEMJUWMNSO-JKSUJKDBSA-N 2 2 363.506 0.546 20 0 FCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001162249055 1223212239 /nfs/dbraw/zinc/21/22/39/1223212239.db2.gz OFYZTEMJUWMNSO-JKSUJKDBSA-N 2 2 363.506 0.546 20 0 FCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH+](C[C@@H](C)O)CC1 ZINC001162492644 1223217083 /nfs/dbraw/zinc/21/70/83/1223217083.db2.gz HXEBWUGGEGKJLI-BZUAXINKSA-N 2 2 364.490 0.749 20 0 FCADLP CCOC(=O)c1c(C[NH3+])ncn1-c1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC001162530659 1223217722 /nfs/dbraw/zinc/21/77/22/1223217722.db2.gz NDTWPKZAVZPPQR-UHFFFAOYSA-N 2 2 372.429 0.290 20 0 FCADLP O=C(NCCC[NH2+]C[C@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162995679 1223223294 /nfs/dbraw/zinc/22/32/94/1223223294.db2.gz CGXRPRCRTPNXKI-KURKYZTESA-N 2 2 369.506 0.531 20 0 FCADLP CS(=O)(=O)c1nc2c(c(NCc3ccc4[nH+]ccn4c3)n1)CC[NH2+]CC2 ZINC001163136493 1223227022 /nfs/dbraw/zinc/22/70/22/1223227022.db2.gz XWZSZOCWCCAKDL-UHFFFAOYSA-N 2 2 372.454 0.828 20 0 FCADLP C1CCN(c2nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)nc(N3CCCC3)[nH+]2)C1 ZINC001165274207 1223244005 /nfs/dbraw/zinc/24/40/05/1223244005.db2.gz IBZKJMIGLDQCEG-GJZGRUSLSA-N 2 2 359.478 0.639 20 0 FCADLP C1CCN(c2nc(N3CCCC3)[nH+]c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n2)C1 ZINC001165274207 1223244008 /nfs/dbraw/zinc/24/40/08/1223244008.db2.gz IBZKJMIGLDQCEG-GJZGRUSLSA-N 2 2 359.478 0.639 20 0 FCADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001165311319 1223244197 /nfs/dbraw/zinc/24/41/97/1223244197.db2.gz JIQGUIHGEJYBKY-UHFFFAOYSA-N 3 2 354.462 0.182 20 0 FCADLP CCn1nnc2c1[C@@H](COC)CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001165525290 1223247294 /nfs/dbraw/zinc/24/72/94/1223247294.db2.gz NDGSJOGRZLDGFE-CQSZACIVSA-N 2 2 357.462 0.853 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001206326145 1223354893 /nfs/dbraw/zinc/35/48/93/1223354893.db2.gz ZBPVEGLKXLQTPY-HZPDHXFCSA-N 2 2 359.474 0.584 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206585670 1223362035 /nfs/dbraw/zinc/36/20/35/1223362035.db2.gz ARDSSIPQODDEEX-OIISXLGYSA-N 2 2 359.474 0.229 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206585670 1223362039 /nfs/dbraw/zinc/36/20/39/1223362039.db2.gz ARDSSIPQODDEEX-OIISXLGYSA-N 2 2 359.474 0.229 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206585670 1223362043 /nfs/dbraw/zinc/36/20/43/1223362043.db2.gz ARDSSIPQODDEEX-OIISXLGYSA-N 2 2 359.474 0.229 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2cccnc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206585670 1223362046 /nfs/dbraw/zinc/36/20/46/1223362046.db2.gz ARDSSIPQODDEEX-OIISXLGYSA-N 2 2 359.474 0.229 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919561 1223387367 /nfs/dbraw/zinc/38/73/67/1223387367.db2.gz YOPSWEOMPNRROU-QLFBSQMISA-N 2 2 365.478 0.320 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919561 1223387372 /nfs/dbraw/zinc/38/73/72/1223387372.db2.gz YOPSWEOMPNRROU-QLFBSQMISA-N 2 2 365.478 0.320 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955310 1223394336 /nfs/dbraw/zinc/39/43/36/1223394336.db2.gz QCGJEIZAHCENJP-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955310 1223394341 /nfs/dbraw/zinc/39/43/41/1223394341.db2.gz QCGJEIZAHCENJP-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955310 1223394344 /nfs/dbraw/zinc/39/43/44/1223394344.db2.gz QCGJEIZAHCENJP-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206955310 1223394348 /nfs/dbraw/zinc/39/43/48/1223394348.db2.gz QCGJEIZAHCENJP-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545366 1223454659 /nfs/dbraw/zinc/45/46/59/1223454659.db2.gz RIDUJFVIISABIR-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545366 1223454661 /nfs/dbraw/zinc/45/46/61/1223454661.db2.gz RIDUJFVIISABIR-ZIAGYGMSSA-N 2 2 367.494 0.143 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757862 1223477678 /nfs/dbraw/zinc/47/76/78/1223477678.db2.gz OJVVRYGENCUKKR-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001207757862 1223477681 /nfs/dbraw/zinc/47/76/81/1223477681.db2.gz OJVVRYGENCUKKR-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207859489 1223487180 /nfs/dbraw/zinc/48/71/80/1223487180.db2.gz SBLIIQJLFUNRPZ-NVXWUHKLSA-N 2 2 362.518 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001207859489 1223487187 /nfs/dbraw/zinc/48/71/87/1223487187.db2.gz SBLIIQJLFUNRPZ-NVXWUHKLSA-N 2 2 362.518 0.968 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208404800 1223539443 /nfs/dbraw/zinc/53/94/43/1223539443.db2.gz CGCXIUADZSGJOL-OAGGEKHMSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208404800 1223539446 /nfs/dbraw/zinc/53/94/46/1223539446.db2.gz CGCXIUADZSGJOL-OAGGEKHMSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208404800 1223539450 /nfs/dbraw/zinc/53/94/50/1223539450.db2.gz CGCXIUADZSGJOL-OAGGEKHMSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)C1 ZINC001208404800 1223539454 /nfs/dbraw/zinc/53/94/54/1223539454.db2.gz CGCXIUADZSGJOL-OAGGEKHMSA-N 2 2 368.522 0.447 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208591507 1223560911 /nfs/dbraw/zinc/56/09/11/1223560911.db2.gz ZBRXRHMZKBLVTH-HLLBOEOZSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001208591507 1223560913 /nfs/dbraw/zinc/56/09/13/1223560913.db2.gz ZBRXRHMZKBLVTH-HLLBOEOZSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001208591507 1223560916 /nfs/dbraw/zinc/56/09/16/1223560916.db2.gz ZBRXRHMZKBLVTH-HLLBOEOZSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001208591507 1223560918 /nfs/dbraw/zinc/56/09/18/1223560918.db2.gz ZBRXRHMZKBLVTH-HLLBOEOZSA-N 2 2 362.474 0.817 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208590384 1223561166 /nfs/dbraw/zinc/56/11/66/1223561166.db2.gz FSOWIGRUXWKEQS-QLFBSQMISA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208590384 1223561170 /nfs/dbraw/zinc/56/11/70/1223561170.db2.gz FSOWIGRUXWKEQS-QLFBSQMISA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208590384 1223561171 /nfs/dbraw/zinc/56/11/71/1223561171.db2.gz FSOWIGRUXWKEQS-QLFBSQMISA-N 2 2 367.494 0.143 20 0 FCADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208590384 1223561175 /nfs/dbraw/zinc/56/11/75/1223561175.db2.gz FSOWIGRUXWKEQS-QLFBSQMISA-N 2 2 367.494 0.143 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208604112 1223561624 /nfs/dbraw/zinc/56/16/24/1223561624.db2.gz ATRTZBYIBLHJRT-CZUORRHYSA-N 2 2 363.462 0.457 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001208604112 1223561625 /nfs/dbraw/zinc/56/16/25/1223561625.db2.gz ATRTZBYIBLHJRT-CZUORRHYSA-N 2 2 363.462 0.457 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598101 1223561822 /nfs/dbraw/zinc/56/18/22/1223561822.db2.gz XLWHPSBHZYGRIL-FRFSOERESA-N 2 2 361.490 0.717 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001208598101 1223561827 /nfs/dbraw/zinc/56/18/27/1223561827.db2.gz XLWHPSBHZYGRIL-FRFSOERESA-N 2 2 361.490 0.717 20 0 FCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CC(=O)N(CCCCCC(N)=O)C2=O)C1 ZINC001276609293 1223593142 /nfs/dbraw/zinc/59/31/42/1223593142.db2.gz IHOAJDMHJYIHCK-IBGZPJMESA-N 2 2 366.506 0.825 20 0 FCADLP C[NH+](C)CCC[N@H+]1CCC[C@]2(CC(=O)N(CCCCCC(N)=O)C2=O)C1 ZINC001276609293 1223593143 /nfs/dbraw/zinc/59/31/43/1223593143.db2.gz IHOAJDMHJYIHCK-IBGZPJMESA-N 2 2 366.506 0.825 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC001209451591 1223621421 /nfs/dbraw/zinc/62/14/21/1223621421.db2.gz JLHNRVHPMMDMRF-RTBURBONSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC001209451591 1223621422 /nfs/dbraw/zinc/62/14/22/1223621422.db2.gz JLHNRVHPMMDMRF-RTBURBONSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC001209451591 1223621425 /nfs/dbraw/zinc/62/14/25/1223621425.db2.gz JLHNRVHPMMDMRF-RTBURBONSA-N 3 2 366.550 0.973 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC001209451591 1223621427 /nfs/dbraw/zinc/62/14/27/1223621427.db2.gz JLHNRVHPMMDMRF-RTBURBONSA-N 3 2 366.550 0.973 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001209642082 1223636399 /nfs/dbraw/zinc/63/63/99/1223636399.db2.gz BAOGIGPPNXNDHZ-HUUCEWRRSA-N 2 2 369.510 0.247 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001209642082 1223636403 /nfs/dbraw/zinc/63/64/03/1223636403.db2.gz BAOGIGPPNXNDHZ-HUUCEWRRSA-N 2 2 369.510 0.247 20 0 FCADLP Cn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3c[nH+]ccc3N)C[C@@H]2C1 ZINC001209729820 1223645433 /nfs/dbraw/zinc/64/54/33/1223645433.db2.gz CALODOBVPLVWMK-CRAIPNDOSA-N 2 2 355.442 0.806 20 0 FCADLP Cn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3c[nH+]ccc3N)C[C@@H]2C1 ZINC001209729820 1223645434 /nfs/dbraw/zinc/64/54/34/1223645434.db2.gz CALODOBVPLVWMK-CRAIPNDOSA-N 2 2 355.442 0.806 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001209971694 1223659457 /nfs/dbraw/zinc/65/94/57/1223659457.db2.gz DNBWCSLQWJBXLI-FHLIZLRMSA-N 2 2 358.442 0.930 20 0 FCADLP O=C(C[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2)N1CCCC1 ZINC001276678914 1223668670 /nfs/dbraw/zinc/66/86/70/1223668670.db2.gz QIOVPNKYJIDSSB-IBGZPJMESA-N 2 2 359.474 0.963 20 0 FCADLP O=C(C[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2)N1CCCC1 ZINC001276678914 1223668675 /nfs/dbraw/zinc/66/86/75/1223668675.db2.gz QIOVPNKYJIDSSB-IBGZPJMESA-N 2 2 359.474 0.963 20 0 FCADLP O=C(C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1)N1CCCC1 ZINC001276679139 1223669315 /nfs/dbraw/zinc/66/93/15/1223669315.db2.gz TYFVAJFVIGEXQR-MRXNPFEDSA-N 2 2 359.474 0.724 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210528747 1223695612 /nfs/dbraw/zinc/69/56/12/1223695612.db2.gz FQXXKHDAZXQVOH-HUUCEWRRSA-N 2 2 369.510 0.247 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210528747 1223695617 /nfs/dbraw/zinc/69/56/17/1223695617.db2.gz FQXXKHDAZXQVOH-HUUCEWRRSA-N 2 2 369.510 0.247 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210528747 1223695621 /nfs/dbraw/zinc/69/56/21/1223695621.db2.gz FQXXKHDAZXQVOH-HUUCEWRRSA-N 2 2 369.510 0.247 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC001210528747 1223695623 /nfs/dbraw/zinc/69/56/23/1223695623.db2.gz FQXXKHDAZXQVOH-HUUCEWRRSA-N 2 2 369.510 0.247 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001211039894 1223720513 /nfs/dbraw/zinc/72/05/13/1223720513.db2.gz WLTINXLKYKXRQW-UKRRQHHQSA-N 2 2 364.494 0.726 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001211039894 1223720514 /nfs/dbraw/zinc/72/05/14/1223720514.db2.gz WLTINXLKYKXRQW-UKRRQHHQSA-N 2 2 364.494 0.726 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211073276 1223723292 /nfs/dbraw/zinc/72/32/92/1223723292.db2.gz ANIAXCAZMOXPGX-HUUCEWRRSA-N 2 2 364.494 0.311 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001211073276 1223723293 /nfs/dbraw/zinc/72/32/93/1223723293.db2.gz ANIAXCAZMOXPGX-HUUCEWRRSA-N 2 2 364.494 0.311 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1)C1CC1 ZINC001211191891 1223729170 /nfs/dbraw/zinc/72/91/70/1223729170.db2.gz VHZUAMGSLBORLS-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1)C1CC1 ZINC001211191891 1223729172 /nfs/dbraw/zinc/72/91/72/1223729172.db2.gz VHZUAMGSLBORLS-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1)C1CC1 ZINC001211191891 1223729173 /nfs/dbraw/zinc/72/91/73/1223729173.db2.gz VHZUAMGSLBORLS-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1)C1CC1 ZINC001211191891 1223729175 /nfs/dbraw/zinc/72/91/75/1223729175.db2.gz VHZUAMGSLBORLS-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184267 1223729462 /nfs/dbraw/zinc/72/94/62/1223729462.db2.gz QJSHDBRYSFNANZ-DJIMGWMZSA-N 2 2 366.506 0.012 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184267 1223729465 /nfs/dbraw/zinc/72/94/65/1223729465.db2.gz QJSHDBRYSFNANZ-DJIMGWMZSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184267 1223729468 /nfs/dbraw/zinc/72/94/68/1223729468.db2.gz QJSHDBRYSFNANZ-DJIMGWMZSA-N 2 2 366.506 0.012 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]2C)C1 ZINC001211184267 1223729471 /nfs/dbraw/zinc/72/94/71/1223729471.db2.gz QJSHDBRYSFNANZ-DJIMGWMZSA-N 2 2 366.506 0.012 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451694 1223743263 /nfs/dbraw/zinc/74/32/63/1223743263.db2.gz FUOJKXRJNWVPFU-BFYDXBDKSA-N 2 2 362.430 0.490 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001211451694 1223743266 /nfs/dbraw/zinc/74/32/66/1223743266.db2.gz FUOJKXRJNWVPFU-BFYDXBDKSA-N 2 2 362.430 0.490 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211449943 1223743774 /nfs/dbraw/zinc/74/37/74/1223743774.db2.gz BSJNUEBGTZDXFO-BZUAXINKSA-N 2 2 357.462 0.879 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211449943 1223743777 /nfs/dbraw/zinc/74/37/77/1223743777.db2.gz BSJNUEBGTZDXFO-BZUAXINKSA-N 2 2 357.462 0.879 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213501 1223769265 /nfs/dbraw/zinc/76/92/65/1223769265.db2.gz NUSXLDMVEYUAOB-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001213213501 1223769267 /nfs/dbraw/zinc/76/92/67/1223769267.db2.gz NUSXLDMVEYUAOB-HZPDHXFCSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239695 1223775423 /nfs/dbraw/zinc/77/54/23/1223775423.db2.gz WOURSXFNCIWGRL-BRWVUGGUSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239695 1223775425 /nfs/dbraw/zinc/77/54/25/1223775425.db2.gz WOURSXFNCIWGRL-BRWVUGGUSA-N 2 2 366.462 0.284 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328830 1223785187 /nfs/dbraw/zinc/78/51/87/1223785187.db2.gz CAIKKRLOHUXDKW-KZNAEPCWSA-N 2 2 371.522 0.728 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328830 1223785191 /nfs/dbraw/zinc/78/51/91/1223785191.db2.gz CAIKKRLOHUXDKW-KZNAEPCWSA-N 2 2 371.522 0.728 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328830 1223785195 /nfs/dbraw/zinc/78/51/95/1223785195.db2.gz CAIKKRLOHUXDKW-KZNAEPCWSA-N 2 2 371.522 0.728 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213328830 1223785198 /nfs/dbraw/zinc/78/51/98/1223785198.db2.gz CAIKKRLOHUXDKW-KZNAEPCWSA-N 2 2 371.522 0.728 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346303 1223788762 /nfs/dbraw/zinc/78/87/62/1223788762.db2.gz GUOBHNFAYUMIGI-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346303 1223788765 /nfs/dbraw/zinc/78/87/65/1223788765.db2.gz GUOBHNFAYUMIGI-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369534 1223791457 /nfs/dbraw/zinc/79/14/57/1223791457.db2.gz UKROGHCEJPRJBJ-NUEKZKHPSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213369534 1223791459 /nfs/dbraw/zinc/79/14/59/1223791459.db2.gz UKROGHCEJPRJBJ-NUEKZKHPSA-N 2 2 368.522 0.447 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1OC)[NH+](C)C ZINC001213458153 1223801259 /nfs/dbraw/zinc/80/12/59/1223801259.db2.gz MSHGNVCKRXRACM-FGTMMUONSA-N 2 2 367.465 0.974 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1OC)[NH+](C)C ZINC001213458153 1223801262 /nfs/dbraw/zinc/80/12/62/1223801262.db2.gz MSHGNVCKRXRACM-FGTMMUONSA-N 2 2 367.465 0.974 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213577987 1223816844 /nfs/dbraw/zinc/81/68/44/1223816844.db2.gz AYIOMQZYYZHFPX-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213577987 1223816845 /nfs/dbraw/zinc/81/68/45/1223816845.db2.gz AYIOMQZYYZHFPX-QZTJIDSGSA-N 2 2 362.474 0.428 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001213665296 1223829892 /nfs/dbraw/zinc/82/98/92/1223829892.db2.gz MDIBSWHSWBAJFC-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](OC)C1 ZINC001213665296 1223829893 /nfs/dbraw/zinc/82/98/93/1223829893.db2.gz MDIBSWHSWBAJFC-IAGOWNOFSA-N 2 2 359.430 0.733 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730332 1223840028 /nfs/dbraw/zinc/84/00/28/1223840028.db2.gz LPSDMTJWKPIVLD-DJIMGWMZSA-N 2 2 365.478 0.240 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730332 1223840030 /nfs/dbraw/zinc/84/00/30/1223840030.db2.gz LPSDMTJWKPIVLD-DJIMGWMZSA-N 2 2 365.478 0.240 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753199 1223844454 /nfs/dbraw/zinc/84/44/54/1223844454.db2.gz CKCUASVPPFGCNN-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213753199 1223844455 /nfs/dbraw/zinc/84/44/55/1223844455.db2.gz CKCUASVPPFGCNN-GVDBMIGSSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759365 1223845589 /nfs/dbraw/zinc/84/55/89/1223845589.db2.gz HSGMNNJFLMOUQI-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759365 1223845591 /nfs/dbraw/zinc/84/55/91/1223845591.db2.gz HSGMNNJFLMOUQI-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1OC ZINC001213759365 1223845595 /nfs/dbraw/zinc/84/55/95/1223845595.db2.gz HSGMNNJFLMOUQI-USXIJHARSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765133 1223847015 /nfs/dbraw/zinc/84/70/15/1223847015.db2.gz VSKZSCVDNLSTRR-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765133 1223847017 /nfs/dbraw/zinc/84/70/17/1223847017.db2.gz VSKZSCVDNLSTRR-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765133 1223847019 /nfs/dbraw/zinc/84/70/19/1223847019.db2.gz VSKZSCVDNLSTRR-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213765133 1223847022 /nfs/dbraw/zinc/84/70/22/1223847022.db2.gz VSKZSCVDNLSTRR-ARFHVFGLSA-N 2 2 370.538 0.837 20 0 FCADLP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781127 1223849103 /nfs/dbraw/zinc/84/91/03/1223849103.db2.gz JJSIVMUEJIDUPG-USXIJHARSA-N 2 2 366.462 0.272 20 0 FCADLP CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001213781127 1223849104 /nfs/dbraw/zinc/84/91/04/1223849104.db2.gz JJSIVMUEJIDUPG-USXIJHARSA-N 2 2 366.462 0.272 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857036 1223861631 /nfs/dbraw/zinc/86/16/31/1223861631.db2.gz FZMGLURXVULSHW-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857036 1223861632 /nfs/dbraw/zinc/86/16/32/1223861632.db2.gz FZMGLURXVULSHW-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857036 1223861635 /nfs/dbraw/zinc/86/16/35/1223861635.db2.gz FZMGLURXVULSHW-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857036 1223861636 /nfs/dbraw/zinc/86/16/36/1223861636.db2.gz FZMGLURXVULSHW-BRWVUGGUSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927540 1223874474 /nfs/dbraw/zinc/87/44/74/1223874474.db2.gz OZGJDIDYDRCYTA-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927540 1223874475 /nfs/dbraw/zinc/87/44/75/1223874475.db2.gz OZGJDIDYDRCYTA-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927540 1223874477 /nfs/dbraw/zinc/87/44/77/1223874477.db2.gz OZGJDIDYDRCYTA-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927540 1223874479 /nfs/dbraw/zinc/87/44/79/1223874479.db2.gz OZGJDIDYDRCYTA-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927671 1223874490 /nfs/dbraw/zinc/87/44/90/1223874490.db2.gz WBRQDAXMCHDRHF-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213927671 1223874491 /nfs/dbraw/zinc/87/44/91/1223874491.db2.gz WBRQDAXMCHDRHF-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213927671 1223874492 /nfs/dbraw/zinc/87/44/92/1223874492.db2.gz WBRQDAXMCHDRHF-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213927671 1223874495 /nfs/dbraw/zinc/87/44/95/1223874495.db2.gz WBRQDAXMCHDRHF-BRWVUGGUSA-N 2 2 368.522 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979952 1223880936 /nfs/dbraw/zinc/88/09/36/1223880936.db2.gz RHMZZWDBLAMQID-GVDBMIGSSA-N 2 2 366.462 0.284 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCCO2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001213979952 1223880937 /nfs/dbraw/zinc/88/09/37/1223880937.db2.gz RHMZZWDBLAMQID-GVDBMIGSSA-N 2 2 366.462 0.284 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)c[nH+]1 ZINC001214945907 1223957991 /nfs/dbraw/zinc/95/79/91/1223957991.db2.gz BJUZCVMGLCRYQN-CZUORRHYSA-N 2 2 361.490 0.984 20 0 FCADLP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988302 1223961878 /nfs/dbraw/zinc/96/18/78/1223961878.db2.gz SPEJQCICNRFXTF-BFYDXBDKSA-N 2 2 361.490 0.798 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214988262 1223961966 /nfs/dbraw/zinc/96/19/66/1223961966.db2.gz RNNLXSOZYVYORC-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008658 1223963267 /nfs/dbraw/zinc/96/32/67/1223963267.db2.gz WIWLFARPWBSHCU-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215005806 1223963590 /nfs/dbraw/zinc/96/35/90/1223963590.db2.gz INOMQKFFPNNAPG-BZUAXINKSA-N 2 2 361.490 0.750 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215008439 1223963700 /nfs/dbraw/zinc/96/37/00/1223963700.db2.gz OHFQHEYHIYFYKL-HLLBOEOZSA-N 2 2 361.490 0.654 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@H]32)CC[N@@H+]1C ZINC000978175672 1248716703 /nfs/dbraw/zinc/71/67/03/1248716703.db2.gz FSTSYTMRMVXTRZ-BTAUDXDXSA-N 2 2 359.478 0.142 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nnnn4C4CC4)C[C@H]32)CC[N@H+]1C ZINC000978175672 1248716708 /nfs/dbraw/zinc/71/67/08/1248716708.db2.gz FSTSYTMRMVXTRZ-BTAUDXDXSA-N 2 2 359.478 0.142 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnnn4C4CC4)C[C@H]32)CC[NH+]1C ZINC000978175672 1248716716 /nfs/dbraw/zinc/71/67/16/1248716716.db2.gz FSTSYTMRMVXTRZ-BTAUDXDXSA-N 2 2 359.478 0.142 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnnn4C4CC4)C[C@H]32)CC[NH+]1C ZINC000978175672 1248716722 /nfs/dbraw/zinc/71/67/22/1248716722.db2.gz FSTSYTMRMVXTRZ-BTAUDXDXSA-N 2 2 359.478 0.142 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001215269385 1223987160 /nfs/dbraw/zinc/98/71/60/1223987160.db2.gz YMROLRQGXNQMMJ-NVXWUHKLSA-N 2 2 370.457 0.421 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978179054 1248718003 /nfs/dbraw/zinc/71/80/03/1248718003.db2.gz KJKPMNVZYXSNEC-NHMWIVBRSA-N 2 2 360.506 0.741 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978179054 1248718010 /nfs/dbraw/zinc/71/80/10/1248718010.db2.gz KJKPMNVZYXSNEC-NHMWIVBRSA-N 2 2 360.506 0.741 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978179054 1248718019 /nfs/dbraw/zinc/71/80/19/1248718019.db2.gz KJKPMNVZYXSNEC-NHMWIVBRSA-N 2 2 360.506 0.741 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978179054 1248718024 /nfs/dbraw/zinc/71/80/24/1248718024.db2.gz KJKPMNVZYXSNEC-NHMWIVBRSA-N 2 2 360.506 0.741 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC000978182519 1248718952 /nfs/dbraw/zinc/71/89/52/1248718952.db2.gz QTKZRZNJYQCJAW-HHARLNAUSA-N 2 2 371.485 0.194 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC000978182519 1248718963 /nfs/dbraw/zinc/71/89/63/1248718963.db2.gz QTKZRZNJYQCJAW-HHARLNAUSA-N 2 2 371.485 0.194 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215854879 1224020877 /nfs/dbraw/zinc/02/08/77/1224020877.db2.gz LBTHKILXVPURQP-SQWLQELKSA-N 2 2 365.478 0.178 20 0 FCADLP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215854879 1224020880 /nfs/dbraw/zinc/02/08/80/1224020880.db2.gz LBTHKILXVPURQP-SQWLQELKSA-N 2 2 365.478 0.178 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215858595 1224021498 /nfs/dbraw/zinc/02/14/98/1224021498.db2.gz QCYALIQITLQTNE-SQWLQELKSA-N 2 2 365.478 0.178 20 0 FCADLP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215858595 1224021499 /nfs/dbraw/zinc/02/14/99/1224021499.db2.gz QCYALIQITLQTNE-SQWLQELKSA-N 2 2 365.478 0.178 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065209 1224032487 /nfs/dbraw/zinc/03/24/87/1224032487.db2.gz MSVUZFUKINZSAN-JHJVBQTASA-N 2 2 364.450 0.011 20 0 FCADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216396778 1224048731 /nfs/dbraw/zinc/04/87/31/1224048731.db2.gz GYZRVUZTFDCWMW-QLFBSQMISA-N 2 2 368.478 0.148 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216396983 1224048813 /nfs/dbraw/zinc/04/88/13/1224048813.db2.gz LJUKHTPQLVYJAG-RBSFLKMASA-N 2 2 360.462 0.381 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276744298 1224058665 /nfs/dbraw/zinc/05/86/65/1224058665.db2.gz SJJLYOQQTCJPHU-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001276744298 1224058668 /nfs/dbraw/zinc/05/86/68/1224058668.db2.gz SJJLYOQQTCJPHU-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859357 1224079888 /nfs/dbraw/zinc/07/98/88/1224079888.db2.gz OWSGKMMGIDCNGQ-KYJSFNMBSA-N 2 2 361.490 0.645 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993327357 1249472577 /nfs/dbraw/zinc/47/25/77/1249472577.db2.gz WCKWUFXBEQOBKC-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993327357 1249472580 /nfs/dbraw/zinc/47/25/80/1249472580.db2.gz WCKWUFXBEQOBKC-CLCXKQKWSA-N 2 2 359.474 0.601 20 0 FCADLP CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000993575925 1249722170 /nfs/dbraw/zinc/72/21/70/1249722170.db2.gz QPEFYRDBHWTFCL-HZPDHXFCSA-N 2 2 361.490 0.973 20 0 FCADLP CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000993577471 1249724493 /nfs/dbraw/zinc/72/44/93/1249724493.db2.gz UXZILMXQMTXAPW-HUUCEWRRSA-N 2 2 359.474 0.869 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993579541 1249729561 /nfs/dbraw/zinc/72/95/61/1249729561.db2.gz VWYBVZRJSFVENR-BFHYXJOUSA-N 2 2 365.453 0.531 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993579541 1249729569 /nfs/dbraw/zinc/72/95/69/1249729569.db2.gz VWYBVZRJSFVENR-BFHYXJOUSA-N 2 2 365.453 0.531 20 0 FCADLP CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000993582146 1249731823 /nfs/dbraw/zinc/73/18/23/1249731823.db2.gz YXGJYPLJMWIZJZ-HUUCEWRRSA-N 2 2 356.430 0.625 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993584199 1249738477 /nfs/dbraw/zinc/73/84/77/1249738477.db2.gz OLKWRKAGZVZNTE-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993584199 1249738485 /nfs/dbraw/zinc/73/84/85/1249738485.db2.gz OLKWRKAGZVZNTE-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993592762 1249754538 /nfs/dbraw/zinc/75/45/38/1249754538.db2.gz KLONCEAKRKRPBH-GDBMZVCRSA-N 2 2 370.457 0.568 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)c1ccoc1 ZINC000993604951 1249788794 /nfs/dbraw/zinc/78/87/94/1249788794.db2.gz CTILAGOBNISYMT-HZPDHXFCSA-N 2 2 371.441 0.833 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C3(C)CC3)C2)CC[N@@H+]1C ZINC000993606822 1249796636 /nfs/dbraw/zinc/79/66/36/1249796636.db2.gz IYMMFMARVDYAIP-KLHDSHLOSA-N 2 2 373.501 0.971 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C3(C)CC3)C2)CC[N@H+]1C ZINC000993606822 1249796651 /nfs/dbraw/zinc/79/66/51/1249796651.db2.gz IYMMFMARVDYAIP-KLHDSHLOSA-N 2 2 373.501 0.971 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1c[nH+]cn1C ZINC000993607284 1249798474 /nfs/dbraw/zinc/79/84/74/1249798474.db2.gz PNPWOABDXILJSD-QBPKDAKJSA-N 2 2 373.501 0.973 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000993612118 1249810843 /nfs/dbraw/zinc/81/08/43/1249810843.db2.gz LVRZJAAVRFSJLA-HZPDHXFCSA-N 2 2 370.457 0.568 20 0 FCADLP CC(C)C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1c[nH+]cn1C ZINC000993610995 1249812505 /nfs/dbraw/zinc/81/25/05/1249812505.db2.gz MGIVHEKYSWQELZ-HZPDHXFCSA-N 2 2 361.490 0.971 20 0 FCADLP CC(C)C(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1c[nH+]cn1C ZINC000993610995 1249812522 /nfs/dbraw/zinc/81/25/22/1249812522.db2.gz MGIVHEKYSWQELZ-HZPDHXFCSA-N 2 2 361.490 0.971 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2(C)CC2)C1)[NH+](C)C ZINC000993615276 1249824215 /nfs/dbraw/zinc/82/42/15/1249824215.db2.gz KCWYFFDJKJNQJE-KFWWJZLASA-N 2 2 361.490 0.971 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920308459 1245619696 /nfs/dbraw/zinc/61/96/96/1245619696.db2.gz PDFORGXUQAFBJT-UHFFFAOYSA-N 2 2 374.518 0.454 20 0 FCADLP 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C[C@H]1C[C@@H](C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001003791241 1253110920 /nfs/dbraw/zinc/11/09/20/1253110920.db2.gz QVMKCVLKNVLBTI-ARLBYUKCSA-N 2 2 359.474 0.818 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001003863955 1253127012 /nfs/dbraw/zinc/12/70/12/1253127012.db2.gz YRCYDMRCIQQREG-MXASKKJJSA-N 2 2 359.474 0.993 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001003863955 1253127019 /nfs/dbraw/zinc/12/70/19/1253127019.db2.gz YRCYDMRCIQQREG-MXASKKJJSA-N 2 2 359.474 0.993 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004365168 1253301406 /nfs/dbraw/zinc/30/14/06/1253301406.db2.gz PKZAPUBPRYLUDJ-SRABZTEZSA-N 2 2 359.474 0.695 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004365168 1253301413 /nfs/dbraw/zinc/30/14/13/1253301413.db2.gz PKZAPUBPRYLUDJ-SRABZTEZSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001004367060 1253301811 /nfs/dbraw/zinc/30/18/11/1253301811.db2.gz MFJWRWKWJQHUDB-HZMVEIRTSA-N 2 2 373.501 0.943 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001004367060 1253301819 /nfs/dbraw/zinc/30/18/19/1253301819.db2.gz MFJWRWKWJQHUDB-HZMVEIRTSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004398466 1253313703 /nfs/dbraw/zinc/31/37/03/1253313703.db2.gz IFTWBDUYRUPFFQ-DZUCGIPZSA-N 2 2 371.485 0.932 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004398466 1253313711 /nfs/dbraw/zinc/31/37/11/1253313711.db2.gz IFTWBDUYRUPFFQ-DZUCGIPZSA-N 2 2 371.485 0.932 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]c[nH]1 ZINC001004416752 1253317406 /nfs/dbraw/zinc/31/74/06/1253317406.db2.gz JLMUJMWYHLMTGW-UNEWFSDZSA-N 2 2 368.441 0.975 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001022175178 1253801616 /nfs/dbraw/zinc/80/16/16/1253801616.db2.gz RTDJUDGISSTZCG-JKSUJKDBSA-N 2 2 356.430 0.456 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916772 1253848032 /nfs/dbraw/zinc/84/80/32/1253848032.db2.gz NZIGXWNVYMAYDU-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001026916772 1253848040 /nfs/dbraw/zinc/84/80/40/1253848040.db2.gz NZIGXWNVYMAYDU-RBSFLKMASA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916799 1253848761 /nfs/dbraw/zinc/84/87/61/1253848761.db2.gz OXXKLXSVNZUMEY-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP CC(C)c1noc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001026916799 1253848779 /nfs/dbraw/zinc/84/87/79/1253848779.db2.gz OXXKLXSVNZUMEY-QLFBSQMISA-N 2 2 365.478 0.850 20 0 FCADLP Cc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463681 1253854298 /nfs/dbraw/zinc/85/42/98/1253854298.db2.gz GTFCHVPTJIOYIV-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463681 1253854310 /nfs/dbraw/zinc/85/43/10/1253854310.db2.gz GTFCHVPTJIOYIV-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463681 1253854318 /nfs/dbraw/zinc/85/43/18/1253854318.db2.gz GTFCHVPTJIOYIV-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)ncn1 ZINC001027463681 1253854331 /nfs/dbraw/zinc/85/43/31/1253854331.db2.gz GTFCHVPTJIOYIV-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464468 1253856312 /nfs/dbraw/zinc/85/63/12/1253856312.db2.gz MQRFHIGKLVHSPX-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[NH+](C)[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464468 1253856316 /nfs/dbraw/zinc/85/63/16/1253856316.db2.gz MQRFHIGKLVHSPX-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464468 1253856320 /nfs/dbraw/zinc/85/63/20/1253856320.db2.gz MQRFHIGKLVHSPX-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP Cc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001027464468 1253856326 /nfs/dbraw/zinc/85/63/26/1253856326.db2.gz MQRFHIGKLVHSPX-BPQIPLTHSA-N 2 2 361.490 0.927 20 0 FCADLP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1)OC ZINC001031868847 1253900329 /nfs/dbraw/zinc/90/03/29/1253900329.db2.gz KWUZFRGVJUNLBT-KURKYZTESA-N 2 2 369.506 0.339 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC001031987527 1253911377 /nfs/dbraw/zinc/91/13/77/1253911377.db2.gz RMRSLMZYXDYXJM-IAGOWNOFSA-N 2 2 367.453 0.871 20 0 FCADLP C[N@@H+]1C[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001031994051 1253911833 /nfs/dbraw/zinc/91/18/33/1253911833.db2.gz KBEGJLPQVIKXOM-MOPGFXCFSA-N 2 2 370.497 0.658 20 0 FCADLP C[N@H+]1C[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC001031994051 1253911840 /nfs/dbraw/zinc/91/18/40/1253911840.db2.gz KBEGJLPQVIKXOM-MOPGFXCFSA-N 2 2 370.497 0.658 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCN2CCCC2=O)O1 ZINC001032473525 1253923652 /nfs/dbraw/zinc/92/36/52/1253923652.db2.gz RKVNBKRZVPAWTB-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCN2CCCC2=O)O1 ZINC001032473525 1253923665 /nfs/dbraw/zinc/92/36/65/1253923665.db2.gz RKVNBKRZVPAWTB-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCN2CCCC2=O)O1 ZINC001032473525 1253923675 /nfs/dbraw/zinc/92/36/75/1253923675.db2.gz RKVNBKRZVPAWTB-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCN2CCCC2=O)O1 ZINC001032473525 1253923683 /nfs/dbraw/zinc/92/36/83/1253923683.db2.gz RKVNBKRZVPAWTB-LTIDMASMSA-N 2 2 364.490 0.003 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184838 1253947053 /nfs/dbraw/zinc/94/70/53/1253947053.db2.gz LAJLUZPMLRVNBG-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184838 1253947063 /nfs/dbraw/zinc/94/70/63/1253947063.db2.gz LAJLUZPMLRVNBG-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184838 1253947072 /nfs/dbraw/zinc/94/70/72/1253947072.db2.gz LAJLUZPMLRVNBG-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001033184838 1253947088 /nfs/dbraw/zinc/94/70/88/1253947088.db2.gz LAJLUZPMLRVNBG-DJIMGWMZSA-N 2 2 362.474 0.842 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183863 1253948912 /nfs/dbraw/zinc/94/89/12/1253948912.db2.gz GPIYTLHFDWADBG-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183863 1253948918 /nfs/dbraw/zinc/94/89/18/1253948918.db2.gz GPIYTLHFDWADBG-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183863 1253948925 /nfs/dbraw/zinc/94/89/25/1253948925.db2.gz GPIYTLHFDWADBG-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)O1 ZINC001033183863 1253948934 /nfs/dbraw/zinc/94/89/34/1253948934.db2.gz GPIYTLHFDWADBG-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035229003 1254024350 /nfs/dbraw/zinc/02/43/50/1254024350.db2.gz MLDITBSRGOQGML-BZUAXINKSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001035229003 1254024359 /nfs/dbraw/zinc/02/43/59/1254024359.db2.gz MLDITBSRGOQGML-BZUAXINKSA-N 2 2 371.485 0.727 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001035372021 1254026815 /nfs/dbraw/zinc/02/68/15/1254026815.db2.gz KJYIFHWZKULJEG-FGTMMUONSA-N 2 2 363.506 0.657 20 0 FCADLP Cc1cc(C)n(CC[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001035372021 1254026827 /nfs/dbraw/zinc/02/68/27/1254026827.db2.gz KJYIFHWZKULJEG-FGTMMUONSA-N 2 2 363.506 0.657 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001035372021 1254026843 /nfs/dbraw/zinc/02/68/43/1254026843.db2.gz KJYIFHWZKULJEG-FGTMMUONSA-N 2 2 363.506 0.657 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001035372021 1254026847 /nfs/dbraw/zinc/02/68/47/1254026847.db2.gz KJYIFHWZKULJEG-FGTMMUONSA-N 2 2 363.506 0.657 20 0 FCADLP C[NH+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061040475 1254154010 /nfs/dbraw/zinc/15/40/10/1254154010.db2.gz CIQOMZUHYZPWAC-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP C[NH+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061040475 1254154013 /nfs/dbraw/zinc/15/40/13/1254154013.db2.gz CIQOMZUHYZPWAC-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061829072 1254227379 /nfs/dbraw/zinc/22/73/79/1254227379.db2.gz JBBLUIQTLZAZJB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061829072 1254227387 /nfs/dbraw/zinc/22/73/87/1254227387.db2.gz JBBLUIQTLZAZJB-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001062338970 1254258301 /nfs/dbraw/zinc/25/83/01/1254258301.db2.gz IBGNZHOUXPFFLD-BZUAXINKSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCc3[nH+]ccn3C)CCC2)CC[N@@H+]1C ZINC001063221876 1254316967 /nfs/dbraw/zinc/31/69/67/1254316967.db2.gz NFVFDYXICFRVTQ-HUUCEWRRSA-N 2 2 361.490 0.848 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC2(NC(=O)CCc3[nH+]ccn3C)CCC2)CC[N@H+]1C ZINC001063221876 1254316969 /nfs/dbraw/zinc/31/69/69/1254316969.db2.gz NFVFDYXICFRVTQ-HUUCEWRRSA-N 2 2 361.490 0.848 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH+]1 ZINC001063572814 1254360475 /nfs/dbraw/zinc/36/04/75/1254360475.db2.gz KVUSLKFKUNBMHG-BPLDGKMQSA-N 2 2 361.494 0.989 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH+]1 ZINC001063572814 1254360488 /nfs/dbraw/zinc/36/04/88/1254360488.db2.gz KVUSLKFKUNBMHG-BPLDGKMQSA-N 2 2 361.494 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001065351395 1254517112 /nfs/dbraw/zinc/51/71/12/1254517112.db2.gz XATJOUSCQUSSHB-VFVRVIDISA-N 2 2 357.462 0.789 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(c3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001065351395 1254517117 /nfs/dbraw/zinc/51/71/17/1254517117.db2.gz XATJOUSCQUSSHB-VFVRVIDISA-N 2 2 357.462 0.789 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961971 1254656934 /nfs/dbraw/zinc/65/69/34/1254656934.db2.gz BFMLEPDSAFUHJT-JTDSTZFVSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961971 1254656955 /nfs/dbraw/zinc/65/69/55/1254656955.db2.gz BFMLEPDSAFUHJT-JTDSTZFVSA-N 2 2 368.485 0.954 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075967331 1254658840 /nfs/dbraw/zinc/65/88/40/1254658840.db2.gz MJSTZMNCMKYZQR-OWCLPIDISA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075967331 1254658857 /nfs/dbraw/zinc/65/88/57/1254658857.db2.gz MJSTZMNCMKYZQR-OWCLPIDISA-N 2 2 355.446 0.270 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967736 1254659507 /nfs/dbraw/zinc/65/95/07/1254659507.db2.gz UCVMKGUJFGVFQL-FRQCXROJSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967736 1254659515 /nfs/dbraw/zinc/65/95/15/1254659515.db2.gz UCVMKGUJFGVFQL-FRQCXROJSA-N 2 2 368.485 0.954 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685643 1254879088 /nfs/dbraw/zinc/87/90/88/1254879088.db2.gz XUEVZOJHEBZVCZ-IAGOWNOFSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685643 1254879097 /nfs/dbraw/zinc/87/90/97/1254879097.db2.gz XUEVZOJHEBZVCZ-IAGOWNOFSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685643 1254879110 /nfs/dbraw/zinc/87/91/10/1254879110.db2.gz XUEVZOJHEBZVCZ-IAGOWNOFSA-N 2 2 364.490 0.939 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685643 1254879127 /nfs/dbraw/zinc/87/91/27/1254879127.db2.gz XUEVZOJHEBZVCZ-IAGOWNOFSA-N 2 2 364.490 0.939 20 0 FCADLP CC(C)(C)n1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001078012208 1255168796 /nfs/dbraw/zinc/16/87/96/1255168796.db2.gz YATLFNGZEXLHNP-HZPDHXFCSA-N 2 2 361.490 0.395 20 0 FCADLP CC(C)(C)n1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001078012208 1255168799 /nfs/dbraw/zinc/16/87/99/1255168799.db2.gz YATLFNGZEXLHNP-HZPDHXFCSA-N 2 2 361.490 0.395 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012255 1255169242 /nfs/dbraw/zinc/16/92/42/1255169242.db2.gz YWAAFPWVJGVABH-IAGOWNOFSA-N 2 2 361.490 0.530 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012255 1255169246 /nfs/dbraw/zinc/16/92/46/1255169246.db2.gz YWAAFPWVJGVABH-IAGOWNOFSA-N 2 2 361.490 0.530 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001078017907 1255173228 /nfs/dbraw/zinc/17/32/28/1255173228.db2.gz DCTCGKPCFVUVDG-YUELXQCFSA-N 2 2 370.400 0.347 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1O ZINC001078017907 1255173230 /nfs/dbraw/zinc/17/32/30/1255173230.db2.gz DCTCGKPCFVUVDG-YUELXQCFSA-N 2 2 370.400 0.347 20 0 FCADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180186 1255294669 /nfs/dbraw/zinc/29/46/69/1255294669.db2.gz QJXXJKYCFUIZSY-RTBURBONSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180186 1255294674 /nfs/dbraw/zinc/29/46/74/1255294674.db2.gz QJXXJKYCFUIZSY-RTBURBONSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)ncn1 ZINC001078227197 1255340033 /nfs/dbraw/zinc/34/00/33/1255340033.db2.gz NRUQIFAJEBJMOY-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)ncn1 ZINC001078227197 1255340040 /nfs/dbraw/zinc/34/00/40/1255340040.db2.gz NRUQIFAJEBJMOY-RTBURBONSA-N 2 2 369.469 0.822 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3CC)C2)cn1 ZINC001078228613 1255343104 /nfs/dbraw/zinc/34/31/04/1255343104.db2.gz XPZHZOGKJMMHSH-KZNAEPCWSA-N 2 2 363.506 0.481 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[NH+]3CC)C2)cn1 ZINC001078228613 1255343110 /nfs/dbraw/zinc/34/31/10/1255343110.db2.gz XPZHZOGKJMMHSH-KZNAEPCWSA-N 2 2 363.506 0.481 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)cn1 ZINC001078228613 1255343118 /nfs/dbraw/zinc/34/31/18/1255343118.db2.gz XPZHZOGKJMMHSH-KZNAEPCWSA-N 2 2 363.506 0.481 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)cn1 ZINC001078228613 1255343126 /nfs/dbraw/zinc/34/31/26/1255343126.db2.gz XPZHZOGKJMMHSH-KZNAEPCWSA-N 2 2 363.506 0.481 20 0 FCADLP COc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272254 1255375706 /nfs/dbraw/zinc/37/57/06/1255375706.db2.gz ORYYZNCROYNANC-QZTJIDSGSA-N 2 2 358.442 0.686 20 0 FCADLP COc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078272254 1255375716 /nfs/dbraw/zinc/37/57/16/1255375716.db2.gz ORYYZNCROYNANC-QZTJIDSGSA-N 2 2 358.442 0.686 20 0 FCADLP COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001078272131 1255376080 /nfs/dbraw/zinc/37/60/80/1255376080.db2.gz IRTHIXGLPWEMCP-IAGOWNOFSA-N 2 2 360.414 0.132 20 0 FCADLP COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001078272131 1255376088 /nfs/dbraw/zinc/37/60/88/1255376088.db2.gz IRTHIXGLPWEMCP-IAGOWNOFSA-N 2 2 360.414 0.132 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001078272468 1255379169 /nfs/dbraw/zinc/37/91/69/1255379169.db2.gz YLDNDXVNRVQTGX-QZTJIDSGSA-N 2 2 366.425 0.430 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1O ZINC001078272468 1255379178 /nfs/dbraw/zinc/37/91/78/1255379178.db2.gz YLDNDXVNRVQTGX-QZTJIDSGSA-N 2 2 366.425 0.430 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001079137941 1255451153 /nfs/dbraw/zinc/45/11/53/1255451153.db2.gz DJPDADHAOFSZKG-GUDVDZBRSA-N 2 2 361.486 0.537 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001079137941 1255451157 /nfs/dbraw/zinc/45/11/57/1255451157.db2.gz DJPDADHAOFSZKG-GUDVDZBRSA-N 2 2 361.486 0.537 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001079137941 1255451161 /nfs/dbraw/zinc/45/11/61/1255451161.db2.gz DJPDADHAOFSZKG-GUDVDZBRSA-N 2 2 361.486 0.537 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001079137941 1255451165 /nfs/dbraw/zinc/45/11/65/1255451165.db2.gz DJPDADHAOFSZKG-GUDVDZBRSA-N 2 2 361.486 0.537 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079200874 1255471392 /nfs/dbraw/zinc/47/13/92/1255471392.db2.gz JXIQOZJEYIETTL-KNXALSJPSA-N 2 2 359.405 0.549 20 0 FCADLP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270116 1255495932 /nfs/dbraw/zinc/49/59/32/1255495932.db2.gz BGIWYAQYUUFRGR-HYVNUMGLSA-N 2 2 362.474 0.283 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079707402 1255582709 /nfs/dbraw/zinc/58/27/09/1255582709.db2.gz DCVWJLGAEQBVLF-KBRIMQKVSA-N 2 2 359.474 0.764 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001079707402 1255582718 /nfs/dbraw/zinc/58/27/18/1255582718.db2.gz DCVWJLGAEQBVLF-KBRIMQKVSA-N 2 2 359.474 0.764 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982143 1255691359 /nfs/dbraw/zinc/69/13/59/1255691359.db2.gz OWVBAQGXDTUOEJ-QGPMSJSTSA-N 2 2 369.469 0.781 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982143 1255691364 /nfs/dbraw/zinc/69/13/64/1255691364.db2.gz OWVBAQGXDTUOEJ-QGPMSJSTSA-N 2 2 369.469 0.781 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001079982339 1255691729 /nfs/dbraw/zinc/69/17/29/1255691729.db2.gz QSJNKHFHYRQGQZ-MZMPZRCHSA-N 2 2 371.489 0.791 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001079982339 1255691735 /nfs/dbraw/zinc/69/17/35/1255691735.db2.gz QSJNKHFHYRQGQZ-MZMPZRCHSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991739 1255696085 /nfs/dbraw/zinc/69/60/85/1255696085.db2.gz QJFVWZNIXOKTFB-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079991739 1255696089 /nfs/dbraw/zinc/69/60/89/1255696089.db2.gz QJFVWZNIXOKTFB-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099389 1255741347 /nfs/dbraw/zinc/74/13/47/1255741347.db2.gz IDOPVYBKQUNTMD-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099389 1255741353 /nfs/dbraw/zinc/74/13/53/1255741353.db2.gz IDOPVYBKQUNTMD-RHSMWYFYSA-N 2 2 368.441 0.550 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107215 1255745975 /nfs/dbraw/zinc/74/59/75/1255745975.db2.gz UTDWTGPWJKZDEY-WQVCFCJDSA-N 2 2 356.430 0.581 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107215 1255745978 /nfs/dbraw/zinc/74/59/78/1255745978.db2.gz UTDWTGPWJKZDEY-WQVCFCJDSA-N 2 2 356.430 0.581 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1C ZINC001080139600 1255756792 /nfs/dbraw/zinc/75/67/92/1255756792.db2.gz MIHJDGBNWVFOPQ-IUODEOHRSA-N 2 2 369.429 0.164 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1C ZINC001080139600 1255756802 /nfs/dbraw/zinc/75/68/02/1255756802.db2.gz MIHJDGBNWVFOPQ-IUODEOHRSA-N 2 2 369.429 0.164 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144612 1255759290 /nfs/dbraw/zinc/75/92/90/1255759290.db2.gz JGBHMSFBKJLPPU-IIAWOOMASA-N 2 2 361.490 0.675 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144612 1255759294 /nfs/dbraw/zinc/75/92/94/1255759294.db2.gz JGBHMSFBKJLPPU-IIAWOOMASA-N 2 2 361.490 0.675 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N3CCC3)C[C@H]1C)CC2 ZINC001080342131 1255856227 /nfs/dbraw/zinc/85/62/27/1255856227.db2.gz JAWWGSZETBBBDA-FRFSOERESA-N 2 2 359.474 0.423 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N3CCC3)C[C@H]1C)CC2 ZINC001080342131 1255856236 /nfs/dbraw/zinc/85/62/36/1255856236.db2.gz JAWWGSZETBBBDA-FRFSOERESA-N 2 2 359.474 0.423 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456023 1255896071 /nfs/dbraw/zinc/89/60/71/1255896071.db2.gz IPIDTZALFYBWLI-HZPDHXFCSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080456023 1255896075 /nfs/dbraw/zinc/89/60/75/1255896075.db2.gz IPIDTZALFYBWLI-HZPDHXFCSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080456023 1255896080 /nfs/dbraw/zinc/89/60/80/1255896080.db2.gz IPIDTZALFYBWLI-HZPDHXFCSA-N 2 2 366.506 0.014 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080456023 1255896086 /nfs/dbraw/zinc/89/60/86/1255896086.db2.gz IPIDTZALFYBWLI-HZPDHXFCSA-N 2 2 366.506 0.014 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330374950 1266004565 /nfs/dbraw/zinc/00/45/65/1266004565.db2.gz QJLIXFRWXVXCFT-MRXNPFEDSA-N 2 2 363.462 0.149 20 0 FCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038051 1256156766 /nfs/dbraw/zinc/15/67/66/1256156766.db2.gz LWCBUGRWTVMMLS-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038051 1256156775 /nfs/dbraw/zinc/15/67/75/1256156775.db2.gz LWCBUGRWTVMMLS-BRWVUGGUSA-N 2 2 361.490 0.967 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001081203331 1256204294 /nfs/dbraw/zinc/20/42/94/1256204294.db2.gz FDGVJGLKMRGIMB-GVDBMIGSSA-N 2 2 367.453 0.815 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481442 1256270700 /nfs/dbraw/zinc/27/07/00/1256270700.db2.gz IWDZMSNLOXMMDP-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481442 1256270709 /nfs/dbraw/zinc/27/07/09/1256270709.db2.gz IWDZMSNLOXMMDP-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481442 1256270714 /nfs/dbraw/zinc/27/07/14/1256270714.db2.gz IWDZMSNLOXMMDP-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)cc1 ZINC001081481442 1256270718 /nfs/dbraw/zinc/27/07/18/1256270718.db2.gz IWDZMSNLOXMMDP-KZNAEPCWSA-N 2 2 363.458 0.341 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481575 1256271730 /nfs/dbraw/zinc/27/17/30/1256271730.db2.gz NSNQGQULZPXFBH-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481575 1256271735 /nfs/dbraw/zinc/27/17/35/1256271735.db2.gz NSNQGQULZPXFBH-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481575 1256271741 /nfs/dbraw/zinc/27/17/41/1256271741.db2.gz NSNQGQULZPXFBH-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP COc1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](OC)C2)c1 ZINC001081481575 1256271748 /nfs/dbraw/zinc/27/17/48/1256271748.db2.gz NSNQGQULZPXFBH-KURKYZTESA-N 2 2 363.458 0.341 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081691897 1256336730 /nfs/dbraw/zinc/33/67/30/1256336730.db2.gz XFWSKSZGWVJVHH-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081691897 1256336735 /nfs/dbraw/zinc/33/67/35/1256336735.db2.gz XFWSKSZGWVJVHH-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081691897 1256336742 /nfs/dbraw/zinc/33/67/42/1256336742.db2.gz XFWSKSZGWVJVHH-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](OC)C2)cn1 ZINC001081691897 1256336749 /nfs/dbraw/zinc/33/67/49/1256336749.db2.gz XFWSKSZGWVJVHH-MWQQHZPXSA-N 2 2 362.474 0.746 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)cn3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699104 1256338165 /nfs/dbraw/zinc/33/81/65/1256338165.db2.gz CSWHIHTZWQVSTJ-BSDSXHPESA-N 2 2 361.490 0.831 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnc(C)cn3)C[C@H]2OC)CC[N@H+]1C ZINC001081699104 1256338166 /nfs/dbraw/zinc/33/81/66/1256338166.db2.gz CSWHIHTZWQVSTJ-BSDSXHPESA-N 2 2 361.490 0.831 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]2OC)CC[NH+]1C ZINC001081699104 1256338171 /nfs/dbraw/zinc/33/81/71/1256338171.db2.gz CSWHIHTZWQVSTJ-BSDSXHPESA-N 2 2 361.490 0.831 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2OC)CC[NH+]1C ZINC001081699104 1256338180 /nfs/dbraw/zinc/33/81/80/1256338180.db2.gz CSWHIHTZWQVSTJ-BSDSXHPESA-N 2 2 361.490 0.831 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796077 1256374048 /nfs/dbraw/zinc/37/40/48/1256374048.db2.gz BZWXXTYUIBLOLY-KZNAEPCWSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001081796077 1256374055 /nfs/dbraw/zinc/37/40/55/1256374055.db2.gz BZWXXTYUIBLOLY-KZNAEPCWSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001081796077 1256374063 /nfs/dbraw/zinc/37/40/63/1256374063.db2.gz BZWXXTYUIBLOLY-KZNAEPCWSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001081796077 1256374068 /nfs/dbraw/zinc/37/40/68/1256374068.db2.gz BZWXXTYUIBLOLY-KZNAEPCWSA-N 2 2 363.506 0.713 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846996 1256409031 /nfs/dbraw/zinc/40/90/31/1256409031.db2.gz OTIWUURROBNLIZ-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081846996 1256409033 /nfs/dbraw/zinc/40/90/33/1256409033.db2.gz OTIWUURROBNLIZ-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnccc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081846996 1256409039 /nfs/dbraw/zinc/40/90/39/1256409039.db2.gz OTIWUURROBNLIZ-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnccc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081846996 1256409041 /nfs/dbraw/zinc/40/90/41/1256409041.db2.gz OTIWUURROBNLIZ-VDHUWJSZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853252 1256412163 /nfs/dbraw/zinc/41/21/63/1256412163.db2.gz GTRCOLAMZUIJDM-QZTJIDSGSA-N 2 2 368.441 0.968 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853252 1256412167 /nfs/dbraw/zinc/41/21/67/1256412167.db2.gz GTRCOLAMZUIJDM-QZTJIDSGSA-N 2 2 368.441 0.968 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081857131 1256414214 /nfs/dbraw/zinc/41/42/14/1256414214.db2.gz YOJPCVTYHNEVJI-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081857131 1256414217 /nfs/dbraw/zinc/41/42/17/1256414217.db2.gz YOJPCVTYHNEVJI-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081857131 1256414220 /nfs/dbraw/zinc/41/42/20/1256414220.db2.gz YOJPCVTYHNEVJI-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081857131 1256414223 /nfs/dbraw/zinc/41/42/23/1256414223.db2.gz YOJPCVTYHNEVJI-GUDVDZBRSA-N 2 2 361.486 0.979 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949648 1256468634 /nfs/dbraw/zinc/46/86/34/1256468634.db2.gz ZWQIZWIEBBADSO-OWCLPIDISA-N 2 2 363.462 0.016 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949648 1256468639 /nfs/dbraw/zinc/46/86/39/1256468639.db2.gz ZWQIZWIEBBADSO-OWCLPIDISA-N 2 2 363.462 0.016 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)ccn1 ZINC001082092764 1256531914 /nfs/dbraw/zinc/53/19/14/1256531914.db2.gz OAGXBCLSSKOIPT-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](OC)C2)ccn1 ZINC001082092764 1256531921 /nfs/dbraw/zinc/53/19/21/1256531921.db2.gz OAGXBCLSSKOIPT-IAGOWNOFSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096037 1256533140 /nfs/dbraw/zinc/53/31/40/1256533140.db2.gz VNMNQCMNCNWWMI-IXDOHACOSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096037 1256533144 /nfs/dbraw/zinc/53/31/44/1256533144.db2.gz VNMNQCMNCNWWMI-IXDOHACOSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133929 1256551034 /nfs/dbraw/zinc/55/10/34/1256551034.db2.gz VEICPJCXYFCTTM-IAOVAPTHSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133929 1256551040 /nfs/dbraw/zinc/55/10/40/1256551040.db2.gz VEICPJCXYFCTTM-IAOVAPTHSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001082133929 1256551044 /nfs/dbraw/zinc/55/10/44/1256551044.db2.gz VEICPJCXYFCTTM-IAOVAPTHSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[NH+](CCn2nc(C)nc2C)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133929 1256551051 /nfs/dbraw/zinc/55/10/51/1256551051.db2.gz VEICPJCXYFCTTM-IAOVAPTHSA-N 2 2 364.494 0.195 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271742 1256622528 /nfs/dbraw/zinc/62/25/28/1256622528.db2.gz RCGWBVWJVVQHIF-QZTJIDSGSA-N 2 2 363.506 0.776 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271742 1256622531 /nfs/dbraw/zinc/62/25/31/1256622531.db2.gz RCGWBVWJVVQHIF-QZTJIDSGSA-N 2 2 363.506 0.776 20 0 FCADLP COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328373 1256669288 /nfs/dbraw/zinc/66/92/88/1256669288.db2.gz QOKUYCGJVTUHPN-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328373 1256669296 /nfs/dbraw/zinc/66/92/96/1256669296.db2.gz QOKUYCGJVTUHPN-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328871 1256670884 /nfs/dbraw/zinc/67/08/84/1256670884.db2.gz PKYLLAJKFFWXAF-DJIMGWMZSA-N 2 2 359.474 0.757 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328871 1256670890 /nfs/dbraw/zinc/67/08/90/1256670890.db2.gz PKYLLAJKFFWXAF-DJIMGWMZSA-N 2 2 359.474 0.757 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370234 1256719369 /nfs/dbraw/zinc/71/93/69/1256719369.db2.gz YJPGUNAPKMDAOJ-KZNAEPCWSA-N 2 2 365.449 0.770 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370234 1256719375 /nfs/dbraw/zinc/71/93/75/1256719375.db2.gz YJPGUNAPKMDAOJ-KZNAEPCWSA-N 2 2 365.449 0.770 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371119 1256721532 /nfs/dbraw/zinc/72/15/32/1256721532.db2.gz UHWGAIVXURAWIJ-BRWVUGGUSA-N 2 2 364.490 0.051 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371119 1256721538 /nfs/dbraw/zinc/72/15/38/1256721538.db2.gz UHWGAIVXURAWIJ-BRWVUGGUSA-N 2 2 364.490 0.051 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379116 1256729505 /nfs/dbraw/zinc/72/95/05/1256729505.db2.gz JXNIFCYRDKBMFM-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379116 1256729510 /nfs/dbraw/zinc/72/95/10/1256729510.db2.gz JXNIFCYRDKBMFM-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379116 1256729517 /nfs/dbraw/zinc/72/95/17/1256729517.db2.gz JXNIFCYRDKBMFM-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2OC)C1 ZINC001082379116 1256729523 /nfs/dbraw/zinc/72/95/23/1256729523.db2.gz JXNIFCYRDKBMFM-KZNAEPCWSA-N 2 2 362.474 0.426 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382605 1256733217 /nfs/dbraw/zinc/73/32/17/1256733217.db2.gz LNARXRLBIRKCNN-KBRIMQKVSA-N 2 2 362.474 0.312 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382605 1256733222 /nfs/dbraw/zinc/73/32/22/1256733222.db2.gz LNARXRLBIRKCNN-KBRIMQKVSA-N 2 2 362.474 0.312 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458225 1256770830 /nfs/dbraw/zinc/77/08/30/1256770830.db2.gz CTDDMFFKRVSSNF-OAGGEKHMSA-N 2 2 364.494 0.201 20 0 FCADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458225 1256770833 /nfs/dbraw/zinc/77/08/33/1256770833.db2.gz CTDDMFFKRVSSNF-OAGGEKHMSA-N 2 2 364.494 0.201 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082507192 1256793394 /nfs/dbraw/zinc/79/33/94/1256793394.db2.gz GULNCDUFKSDTGL-RBSFLKMASA-N 2 2 364.494 0.945 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001082507192 1256793399 /nfs/dbraw/zinc/79/33/99/1256793399.db2.gz GULNCDUFKSDTGL-RBSFLKMASA-N 2 2 364.494 0.945 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+]Cc4nc(=O)n(C)[nH]4)C3)ccn12 ZINC001082511919 1256797307 /nfs/dbraw/zinc/79/73/07/1256797307.db2.gz YONCXGVFLSOEJK-BXUZGUMPSA-N 2 2 369.429 0.315 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C)n1 ZINC001082515304 1256799354 /nfs/dbraw/zinc/79/93/54/1256799354.db2.gz IHAQXEKZHVGESJ-BPLDGKMQSA-N 2 2 363.462 0.494 20 0 FCADLP O=C(N1CCC(c2nnc3n2CC[NH2+]C3)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001330593072 1266066607 /nfs/dbraw/zinc/06/66/07/1266066607.db2.gz XBQJLMPDGHSKEC-OAHLLOKOSA-N 2 2 372.395 0.629 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001082558901 1256858257 /nfs/dbraw/zinc/85/82/57/1256858257.db2.gz LENFTTWILXJBRP-BPLDGKMQSA-N 2 2 370.461 0.719 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590472 1256903932 /nfs/dbraw/zinc/90/39/32/1256903932.db2.gz YJJKMGKQTAUBJD-KBUPBQIOSA-N 2 2 365.478 0.849 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)o1 ZINC001082590472 1256903938 /nfs/dbraw/zinc/90/39/38/1256903938.db2.gz YJJKMGKQTAUBJD-KBUPBQIOSA-N 2 2 365.478 0.849 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082595186 1256908374 /nfs/dbraw/zinc/90/83/74/1256908374.db2.gz ZSABNBHGERTYEV-IAQYHMDHSA-N 2 2 370.413 0.165 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082603751 1256915293 /nfs/dbraw/zinc/91/52/93/1256915293.db2.gz PGNPQHUDTKZVSG-BZUAXINKSA-N 2 2 359.474 0.504 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)C2 ZINC001082605212 1256915696 /nfs/dbraw/zinc/91/56/96/1256915696.db2.gz ZCTKWTUFCMDXQF-BTJLNZGRSA-N 2 2 357.462 0.588 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)CC2 ZINC001082605212 1256915703 /nfs/dbraw/zinc/91/57/03/1256915703.db2.gz ZCTKWTUFCMDXQF-BTJLNZGRSA-N 2 2 357.462 0.588 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)C2 ZINC001082605213 1256915745 /nfs/dbraw/zinc/91/57/45/1256915745.db2.gz ZCTKWTUFCMDXQF-CJBNDPTMSA-N 2 2 357.462 0.588 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc3cnnn3C)C1)CC2 ZINC001082605213 1256915751 /nfs/dbraw/zinc/91/57/51/1256915751.db2.gz ZCTKWTUFCMDXQF-CJBNDPTMSA-N 2 2 357.462 0.588 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082604337 1256915980 /nfs/dbraw/zinc/91/59/80/1256915980.db2.gz LWZXEZYMEBAIIE-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(CC3CC3)nn2)C1 ZINC001082646217 1256950837 /nfs/dbraw/zinc/95/08/37/1256950837.db2.gz FAWPSVMRULDBKR-CXAGYDPISA-N 2 2 357.462 0.830 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)n1 ZINC001082659117 1256963150 /nfs/dbraw/zinc/96/31/50/1256963150.db2.gz UTFKMXBNGPRFGY-CZUORRHYSA-N 2 2 359.478 0.698 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082669311 1256969960 /nfs/dbraw/zinc/96/99/60/1256969960.db2.gz UYTQXPAIKPSDRY-XOKHGSTOSA-N 2 2 353.426 0.811 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082673066 1256972073 /nfs/dbraw/zinc/97/20/73/1256972073.db2.gz NCLKKUCPDVCQOL-IAGOWNOFSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082673277 1256972464 /nfs/dbraw/zinc/97/24/64/1256972464.db2.gz BRFIILACNBASKE-RHSMWYFYSA-N 2 2 357.462 0.911 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082702924 1256994767 /nfs/dbraw/zinc/99/47/67/1256994767.db2.gz OZANRUUBJTYVHY-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)n1 ZINC001082702924 1256994778 /nfs/dbraw/zinc/99/47/78/1256994778.db2.gz OZANRUUBJTYVHY-OIISXLGYSA-N 2 2 361.490 0.831 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703109 1256995262 /nfs/dbraw/zinc/99/52/62/1256995262.db2.gz YFTCTXIWSUHRAM-OAGGEKHMSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703109 1256995266 /nfs/dbraw/zinc/99/52/66/1256995266.db2.gz YFTCTXIWSUHRAM-OAGGEKHMSA-N 2 2 364.494 0.344 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCN1CCCC1=O ZINC001082733792 1257015209 /nfs/dbraw/zinc/01/52/09/1257015209.db2.gz UHBSUUHRIASXFE-IIAWOOMASA-N 2 2 359.474 0.889 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC001082743486 1257022951 /nfs/dbraw/zinc/02/29/51/1257022951.db2.gz FBSWHYBUQHXPQP-ZIAGYGMSSA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC001082743486 1257022960 /nfs/dbraw/zinc/02/29/60/1257022960.db2.gz FBSWHYBUQHXPQP-ZIAGYGMSSA-N 2 2 365.478 0.884 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C)n1 ZINC001082751011 1257030920 /nfs/dbraw/zinc/03/09/20/1257030920.db2.gz BLKBDXOSLSNCMB-BASLNEPJSA-N 2 2 371.489 0.869 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CCNC2=O)CC1 ZINC001330732698 1266085587 /nfs/dbraw/zinc/08/55/87/1266085587.db2.gz LCVXPMSGATZSBH-INIZCTEOSA-N 2 2 371.485 0.721 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C)o1 ZINC001082798366 1257057756 /nfs/dbraw/zinc/05/77/56/1257057756.db2.gz QCXCIRXUYPSFQH-IUODEOHRSA-N 2 2 361.450 0.386 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cn(CC2CC2)nn1 ZINC001082893133 1257128545 /nfs/dbraw/zinc/12/85/45/1257128545.db2.gz OCVZNDLCXOEVOQ-RDTXWAMCSA-N 2 2 371.489 0.991 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)C1 ZINC001082933944 1257154521 /nfs/dbraw/zinc/15/45/21/1257154521.db2.gz PZTOIHTXQDSKKQ-KFWWJZLASA-N 2 2 364.494 0.585 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(C)C)[nH]3)C2)C1 ZINC001082933944 1257154522 /nfs/dbraw/zinc/15/45/22/1257154522.db2.gz PZTOIHTXQDSKKQ-KFWWJZLASA-N 2 2 364.494 0.585 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001082933963 1257154783 /nfs/dbraw/zinc/15/47/83/1257154783.db2.gz QVMZTUMLISUQFL-BMFZPTHFSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001082933963 1257154784 /nfs/dbraw/zinc/15/47/84/1257154784.db2.gz QVMZTUMLISUQFL-BMFZPTHFSA-N 2 2 364.494 0.264 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC001082935088 1257155765 /nfs/dbraw/zinc/15/57/65/1257155765.db2.gz JRIZCIQHPRNNPM-LZQZEXGQSA-N 2 2 365.518 0.960 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)ncn1 ZINC001083083991 1257283951 /nfs/dbraw/zinc/28/39/51/1257283951.db2.gz UZBXCISOZIBYBY-GBESFXJTSA-N 2 2 371.485 0.538 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@H]3C2)ncn1 ZINC001083083991 1257283956 /nfs/dbraw/zinc/28/39/56/1257283956.db2.gz UZBXCISOZIBYBY-GBESFXJTSA-N 2 2 371.485 0.538 20 0 FCADLP Cc1ncoc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083745 1257284419 /nfs/dbraw/zinc/28/44/19/1257284419.db2.gz JQIGOUFYXLELJW-SOLBZPMBSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1ncoc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083745 1257284426 /nfs/dbraw/zinc/28/44/26/1257284426.db2.gz JQIGOUFYXLELJW-SOLBZPMBSA-N 2 2 360.458 0.736 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@@H]21)[NH+](C)C ZINC001083119973 1257351504 /nfs/dbraw/zinc/35/15/04/1257351504.db2.gz SUELJNNHMPUPCU-IXDOHACOSA-N 2 2 362.474 0.842 20 0 FCADLP CC[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@@H]21)[NH+](C)C ZINC001083119973 1257351512 /nfs/dbraw/zinc/35/15/12/1257351512.db2.gz SUELJNNHMPUPCU-IXDOHACOSA-N 2 2 362.474 0.842 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)no1 ZINC001083126734 1257366263 /nfs/dbraw/zinc/36/62/63/1257366263.db2.gz HXMANAGLRQDDRN-RRQGHBQHSA-N 2 2 364.446 0.298 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)no1 ZINC001083126734 1257366273 /nfs/dbraw/zinc/36/62/73/1257366273.db2.gz HXMANAGLRQDDRN-RRQGHBQHSA-N 2 2 364.446 0.298 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144699 1257399750 /nfs/dbraw/zinc/39/97/50/1257399750.db2.gz UUJLIQAXIPKELY-XOKHGSTOSA-N 2 2 371.441 0.336 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144699 1257399759 /nfs/dbraw/zinc/39/97/59/1257399759.db2.gz UUJLIQAXIPKELY-XOKHGSTOSA-N 2 2 371.441 0.336 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001083144197 1257400060 /nfs/dbraw/zinc/40/00/60/1257400060.db2.gz UERLFQBSOSNZSG-ZNMIVQPWSA-N 2 2 370.400 0.527 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001083144197 1257400066 /nfs/dbraw/zinc/40/00/66/1257400066.db2.gz UERLFQBSOSNZSG-ZNMIVQPWSA-N 2 2 370.400 0.527 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145540 1257400872 /nfs/dbraw/zinc/40/08/72/1257400872.db2.gz NWWJGYMGGNBKEA-FHLIZLRMSA-N 2 2 362.474 0.708 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145540 1257400875 /nfs/dbraw/zinc/40/08/75/1257400875.db2.gz NWWJGYMGGNBKEA-FHLIZLRMSA-N 2 2 362.474 0.708 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001083157678 1257414721 /nfs/dbraw/zinc/41/47/21/1257414721.db2.gz JPQAQBPGZBGPHM-ZGUYJTEBSA-N 2 2 362.474 1.000 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@H]3OCCN(C(=O)CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001083157678 1257414725 /nfs/dbraw/zinc/41/47/25/1257414725.db2.gz JPQAQBPGZBGPHM-ZGUYJTEBSA-N 2 2 362.474 1.000 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1)C1CCC1 ZINC001083157891 1257415256 /nfs/dbraw/zinc/41/52/56/1257415256.db2.gz VTVRFFISWOQBKN-RCCFBDPRSA-N 2 2 362.474 1.000 20 0 FCADLP CO[C@H](C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1)C1CCC1 ZINC001083157891 1257415259 /nfs/dbraw/zinc/41/52/59/1257415259.db2.gz VTVRFFISWOQBKN-RCCFBDPRSA-N 2 2 362.474 1.000 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083645890 1257463300 /nfs/dbraw/zinc/46/33/00/1257463300.db2.gz ACVCGZVWUBFWKJ-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001083645890 1257463305 /nfs/dbraw/zinc/46/33/05/1257463305.db2.gz ACVCGZVWUBFWKJ-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083778328 1257519804 /nfs/dbraw/zinc/51/98/04/1257519804.db2.gz IXIGXXCPJUSKON-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083778328 1257519810 /nfs/dbraw/zinc/51/98/10/1257519810.db2.gz IXIGXXCPJUSKON-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083778328 1257519812 /nfs/dbraw/zinc/51/98/12/1257519812.db2.gz IXIGXXCPJUSKON-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP COCc1ccc(C[NH+]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)[C@@H](O)C2)cc1 ZINC001083778328 1257519816 /nfs/dbraw/zinc/51/98/16/1257519816.db2.gz IXIGXXCPJUSKON-IPELMVKDSA-N 2 2 361.486 0.979 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832996 1257587450 /nfs/dbraw/zinc/58/74/50/1257587450.db2.gz DWDHTYTTXJOVNV-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832996 1257587453 /nfs/dbraw/zinc/58/74/53/1257587453.db2.gz DWDHTYTTXJOVNV-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832996 1257587456 /nfs/dbraw/zinc/58/74/56/1257587456.db2.gz DWDHTYTTXJOVNV-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001083832996 1257587459 /nfs/dbraw/zinc/58/74/59/1257587459.db2.gz DWDHTYTTXJOVNV-IKGGRYGDSA-N 2 2 366.506 0.033 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833743 1257587724 /nfs/dbraw/zinc/58/77/24/1257587724.db2.gz SEXLRJMWWUIMRJ-QGTPRVQTSA-N 2 2 361.490 0.739 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833743 1257587731 /nfs/dbraw/zinc/58/77/31/1257587731.db2.gz SEXLRJMWWUIMRJ-QGTPRVQTSA-N 2 2 361.490 0.739 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083954763 1257744514 /nfs/dbraw/zinc/74/45/14/1257744514.db2.gz HQRCBAPASROJMN-MOPGFXCFSA-N 2 2 365.437 0.872 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001083954763 1257744519 /nfs/dbraw/zinc/74/45/19/1257744519.db2.gz HQRCBAPASROJMN-MOPGFXCFSA-N 2 2 365.437 0.872 20 0 FCADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058067 1257871616 /nfs/dbraw/zinc/87/16/16/1257871616.db2.gz ISKCZEMHZNPXOZ-MSOLQXFVSA-N 2 2 361.486 0.939 20 0 FCADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058067 1257871619 /nfs/dbraw/zinc/87/16/19/1257871619.db2.gz ISKCZEMHZNPXOZ-MSOLQXFVSA-N 2 2 361.486 0.939 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1F ZINC001084059629 1257876087 /nfs/dbraw/zinc/87/60/87/1257876087.db2.gz QVJUQVLYVBEWQM-CVEARBPZSA-N 2 2 362.405 0.701 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](O)C2)cc1F ZINC001084059629 1257876093 /nfs/dbraw/zinc/87/60/93/1257876093.db2.gz QVJUQVLYVBEWQM-CVEARBPZSA-N 2 2 362.405 0.701 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001084060050 1257879092 /nfs/dbraw/zinc/87/90/92/1257879092.db2.gz FELJMBGGVYIBOD-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@@H]1O ZINC001084060050 1257879102 /nfs/dbraw/zinc/87/91/02/1257879102.db2.gz FELJMBGGVYIBOD-SJORKVTESA-N 2 2 362.405 0.571 20 0 FCADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC001331104311 1266148290 /nfs/dbraw/zinc/14/82/90/1266148290.db2.gz SCEJMSQVFMJKDQ-MRXNPFEDSA-N 2 2 357.414 0.181 20 0 FCADLP CCc1cccc(OCC[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115282 1257933582 /nfs/dbraw/zinc/93/35/82/1257933582.db2.gz FMSBLNAZDQCINY-MSOLQXFVSA-N 2 2 358.442 0.686 20 0 FCADLP CCc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1 ZINC001084115282 1257933584 /nfs/dbraw/zinc/93/35/84/1257933584.db2.gz FMSBLNAZDQCINY-MSOLQXFVSA-N 2 2 358.442 0.686 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001084115805 1257934372 /nfs/dbraw/zinc/93/43/72/1257934372.db2.gz JHHCBFFKDFBSOP-MSOLQXFVSA-N 2 2 351.410 0.793 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001084115805 1257934375 /nfs/dbraw/zinc/93/43/75/1257934375.db2.gz JHHCBFFKDFBSOP-MSOLQXFVSA-N 2 2 351.410 0.793 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084444879 1258115558 /nfs/dbraw/zinc/11/55/58/1258115558.db2.gz ITUDIIKMBLMFAQ-NVXWUHKLSA-N 2 2 358.490 0.724 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084444879 1258115561 /nfs/dbraw/zinc/11/55/61/1258115561.db2.gz ITUDIIKMBLMFAQ-NVXWUHKLSA-N 2 2 358.490 0.724 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484426 1258128609 /nfs/dbraw/zinc/12/86/09/1258128609.db2.gz UVBPXHBINNMDKZ-BFYDXBDKSA-N 2 2 360.502 0.815 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484426 1258128611 /nfs/dbraw/zinc/12/86/11/1258128611.db2.gz UVBPXHBINNMDKZ-BFYDXBDKSA-N 2 2 360.502 0.815 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484427 1258129069 /nfs/dbraw/zinc/12/90/69/1258129069.db2.gz UVBPXHBINNMDKZ-ZMSDIMECSA-N 2 2 360.502 0.815 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484427 1258129072 /nfs/dbraw/zinc/12/90/72/1258129072.db2.gz UVBPXHBINNMDKZ-ZMSDIMECSA-N 2 2 360.502 0.815 20 0 FCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001084488307 1258132067 /nfs/dbraw/zinc/13/20/67/1258132067.db2.gz WGRAVEBOPNEBFO-DJIMGWMZSA-N 2 2 353.426 0.711 20 0 FCADLP CN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)C1=O ZINC001084488307 1258132069 /nfs/dbraw/zinc/13/20/69/1258132069.db2.gz WGRAVEBOPNEBFO-DJIMGWMZSA-N 2 2 353.426 0.711 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001084545439 1258164726 /nfs/dbraw/zinc/16/47/26/1258164726.db2.gz KDRBNQRNOPOVPG-LMMKCTJWSA-N 2 2 360.502 0.626 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1)N1CCC1 ZINC001084545439 1258164730 /nfs/dbraw/zinc/16/47/30/1258164730.db2.gz KDRBNQRNOPOVPG-LMMKCTJWSA-N 2 2 360.502 0.626 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084560788 1258169447 /nfs/dbraw/zinc/16/94/47/1258169447.db2.gz CISJYBHFPCKLAJ-GVDBMIGSSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084560788 1258169451 /nfs/dbraw/zinc/16/94/51/1258169451.db2.gz CISJYBHFPCKLAJ-GVDBMIGSSA-N 2 2 359.474 0.722 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607776 1258196663 /nfs/dbraw/zinc/19/66/63/1258196663.db2.gz HYIBQXGYYHCWQN-KZNAEPCWSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607776 1258196667 /nfs/dbraw/zinc/19/66/67/1258196667.db2.gz HYIBQXGYYHCWQN-KZNAEPCWSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607776 1258196671 /nfs/dbraw/zinc/19/66/71/1258196671.db2.gz HYIBQXGYYHCWQN-KZNAEPCWSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]32)C1 ZINC001084607776 1258196673 /nfs/dbraw/zinc/19/66/73/1258196673.db2.gz HYIBQXGYYHCWQN-KZNAEPCWSA-N 2 2 361.490 0.562 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084671411 1258235950 /nfs/dbraw/zinc/23/59/50/1258235950.db2.gz RSYCNYFWIFQSGM-YFHUEUNASA-N 2 2 354.458 0.953 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084671411 1258235954 /nfs/dbraw/zinc/23/59/54/1258235954.db2.gz RSYCNYFWIFQSGM-YFHUEUNASA-N 2 2 354.458 0.953 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001084691450 1258245457 /nfs/dbraw/zinc/24/54/57/1258245457.db2.gz QCYKTGBDOYSCEX-BZUAXINKSA-N 2 2 360.462 0.392 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2CC[N@@H+](CCN3CCNC3=O)C[C@H]21)n1cc[nH+]c1 ZINC001084691450 1258245463 /nfs/dbraw/zinc/24/54/63/1258245463.db2.gz QCYKTGBDOYSCEX-BZUAXINKSA-N 2 2 360.462 0.392 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084775744 1258318081 /nfs/dbraw/zinc/31/80/81/1258318081.db2.gz SIHFPYSYLDNIJR-BFYDXBDKSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21 ZINC001084775744 1258318092 /nfs/dbraw/zinc/31/80/92/1258318092.db2.gz SIHFPYSYLDNIJR-BFYDXBDKSA-N 2 2 359.474 0.412 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084831515 1258378545 /nfs/dbraw/zinc/37/85/45/1258378545.db2.gz ONHPBCAKOOHMPC-BPQIPLTHSA-N 2 2 360.502 0.768 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001084831515 1258378553 /nfs/dbraw/zinc/37/85/53/1258378553.db2.gz ONHPBCAKOOHMPC-BPQIPLTHSA-N 2 2 360.502 0.768 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001084834063 1258380975 /nfs/dbraw/zinc/38/09/75/1258380975.db2.gz IQGYOGBNYMYMFF-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC001084834063 1258380980 /nfs/dbraw/zinc/38/09/80/1258380980.db2.gz IQGYOGBNYMYMFF-YXJHDRRASA-N 2 2 362.474 0.984 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975149 1258486693 /nfs/dbraw/zinc/48/66/93/1258486693.db2.gz NRGKRIICLKFEMM-RYRKJORJSA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975149 1258486696 /nfs/dbraw/zinc/48/66/96/1258486696.db2.gz NRGKRIICLKFEMM-RYRKJORJSA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084975518 1258488071 /nfs/dbraw/zinc/48/80/71/1258488071.db2.gz IFGJLOBVFSFEIG-ZACQAIPSSA-N 2 2 369.473 0.660 20 0 FCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084975518 1258488073 /nfs/dbraw/zinc/48/80/73/1258488073.db2.gz IFGJLOBVFSFEIG-ZACQAIPSSA-N 2 2 369.473 0.660 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@H]2C1)n1cc[nH+]c1 ZINC001085045787 1258544084 /nfs/dbraw/zinc/54/40/84/1258544084.db2.gz LBPPCIHGUPMCGI-ZACQAIPSSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@H]2C1)n1cc[nH+]c1 ZINC001085045787 1258544090 /nfs/dbraw/zinc/54/40/90/1258544090.db2.gz LBPPCIHGUPMCGI-ZACQAIPSSA-N 2 2 359.474 0.989 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)nn1 ZINC001085105918 1258599107 /nfs/dbraw/zinc/59/91/07/1258599107.db2.gz PRRYEGDWXDFPBZ-ZBFHGGJFSA-N 2 2 356.430 0.805 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)nn1 ZINC001085105918 1258599115 /nfs/dbraw/zinc/59/91/15/1258599115.db2.gz PRRYEGDWXDFPBZ-ZBFHGGJFSA-N 2 2 356.430 0.805 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085159376 1258611525 /nfs/dbraw/zinc/61/15/25/1258611525.db2.gz RIMIZHRFDAUNNB-BZUAXINKSA-N 2 2 364.494 0.454 20 0 FCADLP CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085159376 1258611532 /nfs/dbraw/zinc/61/15/32/1258611532.db2.gz RIMIZHRFDAUNNB-BZUAXINKSA-N 2 2 364.494 0.454 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087166041 1258634663 /nfs/dbraw/zinc/63/46/63/1258634663.db2.gz WLQBBIRNBNHWDW-OWCLPIDISA-N 2 2 363.510 0.800 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087166041 1258634673 /nfs/dbraw/zinc/63/46/73/1258634673.db2.gz WLQBBIRNBNHWDW-OWCLPIDISA-N 2 2 363.510 0.800 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168803 1258684419 /nfs/dbraw/zinc/68/44/19/1258684419.db2.gz SUTJNLHLDICRIY-CABCVRRESA-N 2 2 368.441 0.407 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168803 1258684429 /nfs/dbraw/zinc/68/44/29/1258684429.db2.gz SUTJNLHLDICRIY-CABCVRRESA-N 2 2 368.441 0.407 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088171262 1258691415 /nfs/dbraw/zinc/69/14/15/1258691415.db2.gz GSQSUGZVRRILQI-CABCVRRESA-N 2 2 357.462 0.759 20 0 FCADLP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001088171262 1258691422 /nfs/dbraw/zinc/69/14/22/1258691422.db2.gz GSQSUGZVRRILQI-CABCVRRESA-N 2 2 357.462 0.759 20 0 FCADLP CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1C ZINC001088199605 1258720314 /nfs/dbraw/zinc/72/03/14/1258720314.db2.gz VPZNLBHFNLEGNV-OAGGEKHMSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1C ZINC001088199605 1258720320 /nfs/dbraw/zinc/72/03/20/1258720320.db2.gz VPZNLBHFNLEGNV-OAGGEKHMSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1C ZINC001088199605 1258720328 /nfs/dbraw/zinc/72/03/28/1258720328.db2.gz VPZNLBHFNLEGNV-OAGGEKHMSA-N 2 2 360.506 0.610 20 0 FCADLP CCc1nnc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1C ZINC001088199605 1258720333 /nfs/dbraw/zinc/72/03/33/1258720333.db2.gz VPZNLBHFNLEGNV-OAGGEKHMSA-N 2 2 360.506 0.610 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4coc(C)n4)CC[C@@H]3C2)C1 ZINC001088208119 1258729730 /nfs/dbraw/zinc/72/97/30/1258729730.db2.gz MNOWCUKQZUUBNE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4coc(C)n4)CC[C@@H]3C2)C1 ZINC001088208119 1258729733 /nfs/dbraw/zinc/72/97/33/1258729733.db2.gz MNOWCUKQZUUBNE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4coc(C)n4)CC[C@@H]3C2)C1 ZINC001088208119 1258729741 /nfs/dbraw/zinc/72/97/41/1258729741.db2.gz MNOWCUKQZUUBNE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4coc(C)n4)CC[C@@H]3C2)C1 ZINC001088208119 1258729743 /nfs/dbraw/zinc/72/97/43/1258729743.db2.gz MNOWCUKQZUUBNE-SOLBZPMBSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207884 1258730388 /nfs/dbraw/zinc/73/03/88/1258730388.db2.gz ALSNUHSEANRFKE-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207884 1258730394 /nfs/dbraw/zinc/73/03/94/1258730394.db2.gz ALSNUHSEANRFKE-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207884 1258730399 /nfs/dbraw/zinc/73/03/99/1258730399.db2.gz ALSNUHSEANRFKE-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nocc4C)CC[C@@H]3C2)C1 ZINC001088207884 1258730414 /nfs/dbraw/zinc/73/04/14/1258730414.db2.gz ALSNUHSEANRFKE-RYRKJORJSA-N 2 2 362.474 0.984 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nonc4C)CC[C@@H]3C2)C1 ZINC001088207951 1258731075 /nfs/dbraw/zinc/73/10/75/1258731075.db2.gz DZFLYONCEUGBJQ-VYDXJSESSA-N 2 2 363.462 0.379 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4nonc4C)CC[C@@H]3C2)C1 ZINC001088207951 1258731081 /nfs/dbraw/zinc/73/10/81/1258731081.db2.gz DZFLYONCEUGBJQ-VYDXJSESSA-N 2 2 363.462 0.379 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4nonc4C)CC[C@@H]3C2)C1 ZINC001088207951 1258731085 /nfs/dbraw/zinc/73/10/85/1258731085.db2.gz DZFLYONCEUGBJQ-VYDXJSESSA-N 2 2 363.462 0.379 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4nonc4C)CC[C@@H]3C2)C1 ZINC001088207951 1258731093 /nfs/dbraw/zinc/73/10/93/1258731093.db2.gz DZFLYONCEUGBJQ-VYDXJSESSA-N 2 2 363.462 0.379 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212579 1258733745 /nfs/dbraw/zinc/73/37/45/1258733745.db2.gz AKOHYHMHTOAAPB-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212579 1258733751 /nfs/dbraw/zinc/73/37/51/1258733751.db2.gz AKOHYHMHTOAAPB-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212579 1258733757 /nfs/dbraw/zinc/73/37/57/1258733757.db2.gz AKOHYHMHTOAAPB-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088212579 1258733762 /nfs/dbraw/zinc/73/37/62/1258733762.db2.gz AKOHYHMHTOAAPB-IKGGRYGDSA-N 2 2 360.506 0.970 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(CO[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001088234542 1258749724 /nfs/dbraw/zinc/74/97/24/1258749724.db2.gz VTUOBPSVAGJWGE-GVDBMIGSSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(CO[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001088234542 1258749730 /nfs/dbraw/zinc/74/97/30/1258749730.db2.gz VTUOBPSVAGJWGE-GVDBMIGSSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(CO[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001088234542 1258749735 /nfs/dbraw/zinc/74/97/35/1258749735.db2.gz VTUOBPSVAGJWGE-GVDBMIGSSA-N 2 2 362.474 0.835 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(CO[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001088234542 1258749742 /nfs/dbraw/zinc/74/97/42/1258749742.db2.gz VTUOBPSVAGJWGE-GVDBMIGSSA-N 2 2 362.474 0.835 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092628007 1258807180 /nfs/dbraw/zinc/80/71/80/1258807180.db2.gz ZYVYBEBLXNDSFW-IOASZLSFSA-N 2 2 362.478 0.220 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H](C)C1 ZINC001092628007 1258807185 /nfs/dbraw/zinc/80/71/85/1258807185.db2.gz ZYVYBEBLXNDSFW-IOASZLSFSA-N 2 2 362.478 0.220 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092628007 1258807191 /nfs/dbraw/zinc/80/71/91/1258807191.db2.gz ZYVYBEBLXNDSFW-IOASZLSFSA-N 2 2 362.478 0.220 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H](C)C1 ZINC001092628007 1258807194 /nfs/dbraw/zinc/80/71/94/1258807194.db2.gz ZYVYBEBLXNDSFW-IOASZLSFSA-N 2 2 362.478 0.220 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721694 1258817707 /nfs/dbraw/zinc/81/77/07/1258817707.db2.gz OWWQSPXSHCPAOK-HUUCEWRRSA-N 2 2 361.494 0.270 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001092721694 1258817721 /nfs/dbraw/zinc/81/77/21/1258817721.db2.gz OWWQSPXSHCPAOK-HUUCEWRRSA-N 2 2 361.494 0.270 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092735194 1258823797 /nfs/dbraw/zinc/82/37/97/1258823797.db2.gz PDUULTNDQQGFQU-FMKPAKJESA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001092735194 1258823802 /nfs/dbraw/zinc/82/38/02/1258823802.db2.gz PDUULTNDQQGFQU-FMKPAKJESA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001092735194 1258823812 /nfs/dbraw/zinc/82/38/12/1258823812.db2.gz PDUULTNDQQGFQU-FMKPAKJESA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001092735194 1258823825 /nfs/dbraw/zinc/82/38/25/1258823825.db2.gz PDUULTNDQQGFQU-FMKPAKJESA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092735195 1258824695 /nfs/dbraw/zinc/82/46/95/1258824695.db2.gz PDUULTNDQQGFQU-IIAWOOMASA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001092735195 1258824700 /nfs/dbraw/zinc/82/47/00/1258824700.db2.gz PDUULTNDQQGFQU-IIAWOOMASA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001092735195 1258824704 /nfs/dbraw/zinc/82/47/04/1258824704.db2.gz PDUULTNDQQGFQU-IIAWOOMASA-N 2 2 361.494 0.676 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C2CC2)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001092735195 1258824706 /nfs/dbraw/zinc/82/47/06/1258824706.db2.gz PDUULTNDQQGFQU-IIAWOOMASA-N 2 2 361.494 0.676 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001100686915 1258914194 /nfs/dbraw/zinc/91/41/94/1258914194.db2.gz YGLQZZFDQPKDFN-AHNOJICISA-N 2 2 359.474 0.534 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NCC1CCC1 ZINC001106499030 1258924162 /nfs/dbraw/zinc/92/41/62/1258924162.db2.gz XUELHGWTPXNSRJ-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106799765 1258965483 /nfs/dbraw/zinc/96/54/83/1258965483.db2.gz POCXQSCJJKIAII-ZIAGYGMSSA-N 2 2 359.430 0.546 20 0 FCADLP CCC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877130 1258985032 /nfs/dbraw/zinc/98/50/32/1258985032.db2.gz OFQYRXMYSXJDGN-OWCLPIDISA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CCN1CCCC1=O ZINC001106938048 1258999955 /nfs/dbraw/zinc/99/99/55/1258999955.db2.gz MILVTHQQVJCCRT-HZPDHXFCSA-N 2 2 361.490 0.659 20 0 FCADLP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106936994 1259000509 /nfs/dbraw/zinc/00/05/09/1259000509.db2.gz BYQBTNNQFCKTEA-HZPDHXFCSA-N 2 2 363.506 0.953 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C)C(=O)NC1CC1 ZINC001106937629 1259000637 /nfs/dbraw/zinc/00/06/37/1259000637.db2.gz APOOATOXZOFXEG-RBSFLKMASA-N 2 2 361.490 0.704 20 0 FCADLP CC(C)OCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001107172992 1259035511 /nfs/dbraw/zinc/03/55/11/1259035511.db2.gz WCPHFDYEWULDLB-RHSMWYFYSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)OCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172992 1259035518 /nfs/dbraw/zinc/03/55/18/1259035518.db2.gz WCPHFDYEWULDLB-RHSMWYFYSA-N 2 2 364.494 0.516 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610362 1259133345 /nfs/dbraw/zinc/13/33/45/1259133345.db2.gz VSTSTPKJGQOADO-VQIMIIECSA-N 2 2 361.490 0.802 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107610362 1259133349 /nfs/dbraw/zinc/13/33/49/1259133349.db2.gz VSTSTPKJGQOADO-VQIMIIECSA-N 2 2 361.490 0.802 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCCC1)CC2 ZINC001107652471 1259143812 /nfs/dbraw/zinc/14/38/12/1259143812.db2.gz WCXDBAIQTCRGPJ-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCCC1)CC2 ZINC001107652471 1259143816 /nfs/dbraw/zinc/14/38/16/1259143816.db2.gz WCXDBAIQTCRGPJ-VQIMIIECSA-N 2 2 359.474 0.866 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547996 1259178776 /nfs/dbraw/zinc/17/87/76/1259178776.db2.gz WBLDYWSDZBHTKE-BZUAXINKSA-N 2 2 361.490 0.774 20 0 FCADLP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851573 1259248562 /nfs/dbraw/zinc/24/85/62/1259248562.db2.gz SLYLDSIDUBZVRB-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851573 1259248565 /nfs/dbraw/zinc/24/85/65/1259248565.db2.gz SLYLDSIDUBZVRB-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851573 1259248570 /nfs/dbraw/zinc/24/85/70/1259248570.db2.gz SLYLDSIDUBZVRB-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851573 1259248574 /nfs/dbraw/zinc/24/85/74/1259248574.db2.gz SLYLDSIDUBZVRB-IKGGRYGDSA-N 2 2 364.494 0.386 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064742 1259303818 /nfs/dbraw/zinc/30/38/18/1259303818.db2.gz NPQYXWYVSWRUQL-ZACQAIPSSA-N 2 2 357.462 0.555 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064742 1259303820 /nfs/dbraw/zinc/30/38/20/1259303820.db2.gz NPQYXWYVSWRUQL-ZACQAIPSSA-N 2 2 357.462 0.555 20 0 FCADLP CC1CC(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](n3ccnn3)C2)C1 ZINC001129139886 1259326995 /nfs/dbraw/zinc/32/69/95/1259326995.db2.gz YQHDQAFTHGORBA-BACDZXNISA-N 2 2 357.462 0.953 20 0 FCADLP CC1CC(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H](n3ccnn3)C2)C1 ZINC001129139886 1259326998 /nfs/dbraw/zinc/32/69/98/1259326998.db2.gz YQHDQAFTHGORBA-BACDZXNISA-N 2 2 357.462 0.953 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC1 ZINC001129219208 1259348119 /nfs/dbraw/zinc/34/81/19/1259348119.db2.gz ARTPMIYQOBOGAN-SJORKVTESA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2n2ccnn2)CC1 ZINC001129219208 1259348126 /nfs/dbraw/zinc/34/81/26/1259348126.db2.gz ARTPMIYQOBOGAN-SJORKVTESA-N 2 2 369.473 0.557 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCOC[C@@H](O)C2)c1C ZINC001141565168 1259379671 /nfs/dbraw/zinc/37/96/71/1259379671.db2.gz WHAOPVSHJNXMAM-INIZCTEOSA-N 2 2 366.506 0.896 20 0 FCADLP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCOC[C@@H](O)C2)c1C ZINC001141565168 1259379677 /nfs/dbraw/zinc/37/96/77/1259379677.db2.gz WHAOPVSHJNXMAM-INIZCTEOSA-N 2 2 366.506 0.896 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001154679625 1259383529 /nfs/dbraw/zinc/38/35/29/1259383529.db2.gz RFQIQCFXCOZWQC-SFHVURJKSA-N 2 2 360.502 0.830 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C1 ZINC001160651715 1259386107 /nfs/dbraw/zinc/38/61/07/1259386107.db2.gz WANVRLSKAMRYEE-YYIAUSFCSA-N 2 2 358.442 0.688 20 0 FCADLP COC(=O)[C@@H]1CCCN(c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)nn2)C1 ZINC001168737286 1259390945 /nfs/dbraw/zinc/39/09/45/1259390945.db2.gz YUGYJSODFBNZKY-CYBMUJFWSA-N 2 2 361.450 0.460 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680409 1259427663 /nfs/dbraw/zinc/42/76/63/1259427663.db2.gz VPBPMCFYEDZYEM-RRQGHBQHSA-N 2 2 355.442 0.671 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212289543 1259454758 /nfs/dbraw/zinc/45/47/58/1259454758.db2.gz KUKHIUDFIKFCHG-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212289543 1259454763 /nfs/dbraw/zinc/45/47/63/1259454763.db2.gz KUKHIUDFIKFCHG-GVDBMIGSSA-N 2 2 366.506 0.012 20 0 FCADLP CON(C)C(=O)c1ccc(-c2noc([C@@H](N)C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC001212315517 1259462569 /nfs/dbraw/zinc/46/25/69/1259462569.db2.gz XVDRFWHVQDVPIL-HNNXBMFYSA-N 2 2 374.445 0.793 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408112 1259493742 /nfs/dbraw/zinc/49/37/42/1259493742.db2.gz MJBDNCHVBLTVGD-ARFHVFGLSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408112 1259493744 /nfs/dbraw/zinc/49/37/44/1259493744.db2.gz MJBDNCHVBLTVGD-ARFHVFGLSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408131 1259493829 /nfs/dbraw/zinc/49/38/29/1259493829.db2.gz MOBRNYUSDYLGHQ-ARFHVFGLSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408131 1259493831 /nfs/dbraw/zinc/49/38/31/1259493831.db2.gz MOBRNYUSDYLGHQ-ARFHVFGLSA-N 2 2 368.522 0.541 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430473 1259503102 /nfs/dbraw/zinc/50/31/02/1259503102.db2.gz OKGKMXPFXUJYPF-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430473 1259503109 /nfs/dbraw/zinc/50/31/09/1259503109.db2.gz OKGKMXPFXUJYPF-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212430473 1259503111 /nfs/dbraw/zinc/50/31/11/1259503111.db2.gz OKGKMXPFXUJYPF-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP CO[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212430473 1259503116 /nfs/dbraw/zinc/50/31/16/1259503116.db2.gz OKGKMXPFXUJYPF-KBAYOESNSA-N 2 2 361.490 0.975 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436975 1259505593 /nfs/dbraw/zinc/50/55/93/1259505593.db2.gz UAXHDZJXKOGXIL-INMHGKMJSA-N 2 2 370.538 0.693 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436975 1259505599 /nfs/dbraw/zinc/50/55/99/1259505599.db2.gz UAXHDZJXKOGXIL-INMHGKMJSA-N 2 2 370.538 0.693 20 0 FCADLP c1cc(CN2CCN[C@]3(CC[NH2+]C3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001235054642 1259567537 /nfs/dbraw/zinc/56/75/37/1259567537.db2.gz QRWUHEYUDKIADD-FQEVSTJZSA-N 2 2 360.502 0.535 20 0 FCADLP c1cc2n(c1C[NH+]1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CC[NH2+]C2 ZINC001235206767 1259569572 /nfs/dbraw/zinc/56/95/72/1259569572.db2.gz KJZOQWSSNYJCOO-UHFFFAOYSA-N 3 2 358.490 0.565 20 0 FCADLP CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235648879 1259581358 /nfs/dbraw/zinc/58/13/58/1259581358.db2.gz MLHARGYELWFTTK-BSDSXHPESA-N 2 2 374.485 0.996 20 0 FCADLP CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235648879 1259581360 /nfs/dbraw/zinc/58/13/60/1259581360.db2.gz MLHARGYELWFTTK-BSDSXHPESA-N 2 2 374.485 0.996 20 0 FCADLP COc1ccc2c(c1)c(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cn2C ZINC001236310348 1259588469 /nfs/dbraw/zinc/58/84/69/1259588469.db2.gz YCQYSLBATWQEMT-UHFFFAOYSA-N 3 2 361.490 0.803 20 0 FCADLP COc1ccc2c(c1)c(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cn2C ZINC001236310348 1259588475 /nfs/dbraw/zinc/58/84/75/1259588475.db2.gz YCQYSLBATWQEMT-UHFFFAOYSA-N 3 2 361.490 0.803 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001236281149 1259588978 /nfs/dbraw/zinc/58/89/78/1259588978.db2.gz ZHOIGXZRBKQLDX-GOSISDBHSA-N 2 2 358.446 0.273 20 0 FCADLP COC(=O)[C@@]1(N)CC[N@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001236281149 1259588986 /nfs/dbraw/zinc/58/89/86/1259588986.db2.gz ZHOIGXZRBKQLDX-GOSISDBHSA-N 2 2 358.446 0.273 20 0 FCADLP COC(=O)[C@@]1(N)CC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001236281149 1259588996 /nfs/dbraw/zinc/58/89/96/1259588996.db2.gz ZHOIGXZRBKQLDX-GOSISDBHSA-N 2 2 358.446 0.273 20 0 FCADLP CCCOC[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001245957059 1259641572 /nfs/dbraw/zinc/64/15/72/1259641572.db2.gz MPORBVQPLANDPO-HNNXBMFYSA-N 2 2 353.467 0.099 20 0 FCADLP COc1ccccc1C1([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246004972 1259643045 /nfs/dbraw/zinc/64/30/45/1259643045.db2.gz LQYWVJNCRHUZKI-INIZCTEOSA-N 3 2 363.502 0.729 20 0 FCADLP CCOC(=O)[C@]12C[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]1C[NH2+]CC2 ZINC001246047301 1259646242 /nfs/dbraw/zinc/64/62/42/1259646242.db2.gz RRFPJRWXAZRITI-AJYBTWMASA-N 3 2 361.486 0.392 20 0 FCADLP CCOC(=O)[C@]12C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]1C[NH2+]CC2 ZINC001246047301 1259646251 /nfs/dbraw/zinc/64/62/51/1259646251.db2.gz RRFPJRWXAZRITI-AJYBTWMASA-N 3 2 361.486 0.392 20 0 FCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1C(=O)OC ZINC001246140248 1259648600 /nfs/dbraw/zinc/64/86/00/1259648600.db2.gz GJVKDSGVCMGRHY-ZJIFWQFVSA-N 3 2 367.490 0.581 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)C[NH2+]1 ZINC001246686534 1259659781 /nfs/dbraw/zinc/65/97/81/1259659781.db2.gz IXLITASORLYONZ-YPMHNXCESA-N 2 2 358.402 0.020 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(c2ncccn2)[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246701954 1259663671 /nfs/dbraw/zinc/66/36/71/1259663671.db2.gz GJJRIYUJFYDXCO-ILXRZTDVSA-N 2 2 361.446 0.098 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](N(c2ccccn2)[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246742133 1259675332 /nfs/dbraw/zinc/67/53/32/1259675332.db2.gz ZNKDUFXNSMMFRI-OAGGEKHMSA-N 2 2 360.458 0.703 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](n2nc(C(=O)NC3CCCC3)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246745047 1259676957 /nfs/dbraw/zinc/67/69/57/1259676957.db2.gz CVTICKGQJYVVRQ-OCCSQVGLSA-N 2 2 361.446 0.277 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C[NH2+]1 ZINC001246743283 1259677480 /nfs/dbraw/zinc/67/74/80/1259677480.db2.gz FQVCYAUKHNXBSR-IDCNUPLLSA-N 2 2 363.433 0.867 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C[NH2+]1 ZINC001246743283 1259677490 /nfs/dbraw/zinc/67/74/90/1259677490.db2.gz FQVCYAUKHNXBSR-IDCNUPLLSA-N 2 2 363.433 0.867 20 0 FCADLP C[C@@H]1CC[C@@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)C[NH2+]1 ZINC001246772363 1259686881 /nfs/dbraw/zinc/68/68/81/1259686881.db2.gz DHLTXGWYQUCITP-HUUCEWRRSA-N 2 2 371.489 0.545 20 0 FCADLP C[C@@H]1C[C@@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC[NH2+]1 ZINC001246772407 1259688274 /nfs/dbraw/zinc/68/82/74/1259688274.db2.gz DNIVLRJGMHPAGN-CABCVRRESA-N 2 2 371.489 0.545 20 0 FCADLP C[C@H]1C[C@H](N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)CC[NH2+]1 ZINC001246772414 1259688517 /nfs/dbraw/zinc/68/85/17/1259688517.db2.gz DNIVLRJGMHPAGN-LSDHHAIUSA-N 2 2 371.489 0.545 20 0 FCADLP COc1ccc(F)c(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247333559 1259702021 /nfs/dbraw/zinc/70/20/21/1259702021.db2.gz PALOEBMPBXSEQH-ZDUSSCGKSA-N 2 2 360.349 0.794 20 0 FCADLP CCOC(=O)C1(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C[NH2+]C1 ZINC001248896449 1259717980 /nfs/dbraw/zinc/71/79/80/1259717980.db2.gz QBGBOWBNISVDEN-UHFFFAOYSA-N 2 2 372.425 0.973 20 0 FCADLP O[C@@H](CN1CC[N@@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001251017528 1259730765 /nfs/dbraw/zinc/73/07/65/1259730765.db2.gz SBUBCEYIYJTQOU-NLWGTHIKSA-N 2 2 361.486 0.517 20 0 FCADLP O[C@@H](CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001251017528 1259730772 /nfs/dbraw/zinc/73/07/72/1259730772.db2.gz SBUBCEYIYJTQOU-NLWGTHIKSA-N 2 2 361.486 0.517 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251048009 1259735758 /nfs/dbraw/zinc/73/57/58/1259735758.db2.gz AFBXRTDXVBJQSL-SLFFLAALSA-N 2 2 363.502 0.559 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251048009 1259735762 /nfs/dbraw/zinc/73/57/62/1259735762.db2.gz AFBXRTDXVBJQSL-SLFFLAALSA-N 2 2 363.502 0.559 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[NH+](C)CC2)ccc1N1CC[NH+](C)CC1 ZINC001251162244 1259739581 /nfs/dbraw/zinc/73/95/81/1259739581.db2.gz SGGFJWILKQNQGE-UHFFFAOYSA-N 2 2 359.474 0.459 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001335629938 1259751823 /nfs/dbraw/zinc/75/18/23/1259751823.db2.gz ONCJTBLRMUVDTJ-HZPDHXFCSA-N 2 2 354.495 0.555 20 0 FCADLP NC(=O)C1CC[NH+](C2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)CC1 ZINC001252639245 1259800077 /nfs/dbraw/zinc/80/00/77/1259800077.db2.gz ALKZTZOHFOWKHY-QGZVFWFLSA-N 2 2 365.474 0.819 20 0 FCADLP NC(=O)C1CC[NH+](C2CC[NH+](C[C@H](O)COCc3ccco3)CC2)CC1 ZINC001252639244 1259800561 /nfs/dbraw/zinc/80/05/61/1259800561.db2.gz ALKZTZOHFOWKHY-KRWDZBQOSA-N 2 2 365.474 0.819 20 0 FCADLP CC(C)OC[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252678538 1259804676 /nfs/dbraw/zinc/80/46/76/1259804676.db2.gz QYIRPTJMXYPZQI-QGZVFWFLSA-N 2 2 364.490 0.831 20 0 FCADLP CC(C)OC[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001252678538 1259804689 /nfs/dbraw/zinc/80/46/89/1259804689.db2.gz QYIRPTJMXYPZQI-QGZVFWFLSA-N 2 2 364.490 0.831 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926516 1259812848 /nfs/dbraw/zinc/81/28/48/1259812848.db2.gz RNEUSIUTYDNGCJ-XCJLJZCSSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)O1 ZINC001252926516 1259812853 /nfs/dbraw/zinc/81/28/53/1259812853.db2.gz RNEUSIUTYDNGCJ-XCJLJZCSSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC001252926516 1259812858 /nfs/dbraw/zinc/81/28/58/1259812858.db2.gz RNEUSIUTYDNGCJ-XCJLJZCSSA-N 2 2 373.497 0.943 20 0 FCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[NH+]2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001252926516 1259812866 /nfs/dbraw/zinc/81/28/66/1259812866.db2.gz RNEUSIUTYDNGCJ-XCJLJZCSSA-N 2 2 373.497 0.943 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001253184720 1259826949 /nfs/dbraw/zinc/82/69/49/1259826949.db2.gz JHJHEUBRGYFZCS-XLAORIBOSA-N 2 2 369.506 0.580 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001253184720 1259826954 /nfs/dbraw/zinc/82/69/54/1259826954.db2.gz JHJHEUBRGYFZCS-XLAORIBOSA-N 2 2 369.506 0.580 20 0 FCADLP CC[NH+](CC)C[C@H](O)CN1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001253186407 1259828419 /nfs/dbraw/zinc/82/84/19/1259828419.db2.gz YEWFPJCICQEAGE-KRWDZBQOSA-N 2 2 374.489 0.397 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 ZINC001253187173 1259829222 /nfs/dbraw/zinc/82/92/22/1259829222.db2.gz WLKXRVNCEADVRU-DLBZAZTESA-N 2 2 363.506 0.561 20 0 FCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CN1C(=O)OC(C)(C)C ZINC001253404361 1259839730 /nfs/dbraw/zinc/83/97/30/1259839730.db2.gz UQUIAYMOOXJCNN-RDBSUJKOSA-N 2 2 373.494 0.876 20 0 FCADLP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680921 1259852089 /nfs/dbraw/zinc/85/20/89/1259852089.db2.gz VDMDXYSCUJIOAR-FXUDXRNXSA-N 2 2 365.478 0.375 20 0 FCADLP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680921 1259852098 /nfs/dbraw/zinc/85/20/98/1259852098.db2.gz VDMDXYSCUJIOAR-FXUDXRNXSA-N 2 2 365.478 0.375 20 0 FCADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680921 1259852105 /nfs/dbraw/zinc/85/21/05/1259852105.db2.gz VDMDXYSCUJIOAR-FXUDXRNXSA-N 2 2 365.478 0.375 20 0 FCADLP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001253680921 1259852115 /nfs/dbraw/zinc/85/21/15/1259852115.db2.gz VDMDXYSCUJIOAR-FXUDXRNXSA-N 2 2 365.478 0.375 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@@H]2CC[N@H+](C)C2)CC3)cn1 ZINC001255434127 1259912856 /nfs/dbraw/zinc/91/28/56/1259912856.db2.gz NKZOVNOJPUPGJN-OAHLLOKOSA-N 2 2 357.462 0.109 20 0 FCADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@@H]2CC[N@@H+](C)C2)CC3)cn1 ZINC001255434127 1259912862 /nfs/dbraw/zinc/91/28/62/1259912862.db2.gz NKZOVNOJPUPGJN-OAHLLOKOSA-N 2 2 357.462 0.109 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H]1CC[N@H+](C)C1)CC2 ZINC001255435281 1259913370 /nfs/dbraw/zinc/91/33/70/1259913370.db2.gz DBUBQPDIYGDSIF-AWEZNQCLSA-N 2 2 357.462 0.109 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H]1CC[N@@H+](C)C1)CC2 ZINC001255435281 1259913376 /nfs/dbraw/zinc/91/33/76/1259913376.db2.gz DBUBQPDIYGDSIF-AWEZNQCLSA-N 2 2 357.462 0.109 20 0 FCADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001255954430 1259928750 /nfs/dbraw/zinc/92/87/50/1259928750.db2.gz DGQLSTIUEGGACL-QPSCCSFWSA-N 2 2 372.510 0.267 20 0 FCADLP CN(C(=O)CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC001335986136 1259931710 /nfs/dbraw/zinc/93/17/10/1259931710.db2.gz KDJTXVPGRPDTHJ-QGZVFWFLSA-N 2 2 374.485 0.562 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC001261226175 1260104869 /nfs/dbraw/zinc/10/48/69/1260104869.db2.gz PKIHYNWCZIQOBT-ZMSDIMECSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC001261226175 1260104875 /nfs/dbraw/zinc/10/48/75/1260104875.db2.gz PKIHYNWCZIQOBT-ZMSDIMECSA-N 2 2 366.506 0.155 20 0 FCADLP NS(=O)(=O)CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001336775622 1260220062 /nfs/dbraw/zinc/22/00/62/1260220062.db2.gz NBVRNJRJEVGSCH-GOSISDBHSA-N 2 2 367.515 0.624 20 0 FCADLP NS(=O)(=O)CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001336775622 1260220068 /nfs/dbraw/zinc/22/00/68/1260220068.db2.gz NBVRNJRJEVGSCH-GOSISDBHSA-N 2 2 367.515 0.624 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337087247 1260305801 /nfs/dbraw/zinc/30/58/01/1260305801.db2.gz QDKPDWULLOZTDS-DLBZAZTESA-N 2 2 355.442 0.999 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264653319 1260394242 /nfs/dbraw/zinc/39/42/42/1260394242.db2.gz SDAMZRPYIOKFAR-XHSDSOJGSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264653319 1260394247 /nfs/dbraw/zinc/39/42/47/1260394247.db2.gz SDAMZRPYIOKFAR-XHSDSOJGSA-N 2 2 361.490 0.893 20 0 FCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001271514956 1260431019 /nfs/dbraw/zinc/43/10/19/1260431019.db2.gz GCHVNWVWHPWPDM-ROUUACIJSA-N 2 2 360.506 0.569 20 0 FCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001271514956 1260431023 /nfs/dbraw/zinc/43/10/23/1260431023.db2.gz GCHVNWVWHPWPDM-ROUUACIJSA-N 2 2 360.506 0.569 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001271682405 1260446388 /nfs/dbraw/zinc/44/63/88/1260446388.db2.gz APVGJODGZJOARO-IXDOHACOSA-N 2 2 357.458 0.427 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCc5[nH+]ccn5C4)CC3)[C@H]2C1 ZINC001272619531 1260462078 /nfs/dbraw/zinc/46/20/78/1260462078.db2.gz ZEDGRMSJJQJFHC-ILXRZTDVSA-N 2 2 357.458 0.114 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCc5[nH+]ccn5C4)CC3)[C@H]2C1 ZINC001272619531 1260462089 /nfs/dbraw/zinc/46/20/89/1260462089.db2.gz ZEDGRMSJJQJFHC-ILXRZTDVSA-N 2 2 357.458 0.114 20 0 FCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCc5[nH+]ccn5C4)CC3)[C@@H]2C1 ZINC001272619538 1260462689 /nfs/dbraw/zinc/46/26/89/1260462689.db2.gz ZEDGRMSJJQJFHC-RBSFLKMASA-N 2 2 357.458 0.114 20 0 FCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCc5[nH+]ccn5C4)CC3)[C@@H]2C1 ZINC001272619538 1260462694 /nfs/dbraw/zinc/46/26/94/1260462694.db2.gz ZEDGRMSJJQJFHC-RBSFLKMASA-N 2 2 357.458 0.114 20 0 FCADLP CN(CC(=O)N1CCC[C@@]12CCN(CC[NH+](C)C)C2=O)c1cccc[nH+]1 ZINC001272724272 1260489077 /nfs/dbraw/zinc/48/90/77/1260489077.db2.gz LORQDUNDURSFRV-IBGZPJMESA-N 2 2 359.474 0.673 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(C(=O)C1([NH+](C)C)CC1)CC2 ZINC001272907696 1260526426 /nfs/dbraw/zinc/52/64/26/1260526426.db2.gz GNJWPHYZKFNNQS-OAHLLOKOSA-N 2 2 359.474 0.759 20 0 FCADLP Cc1[nH+]c[nH]c1CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001279355469 1260848664 /nfs/dbraw/zinc/84/86/64/1260848664.db2.gz FCCBWMXIEJXTER-JZXOWHBKSA-N 2 2 359.474 0.614 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001279473483 1260876266 /nfs/dbraw/zinc/87/62/66/1260876266.db2.gz CPFZEEYUGUXCOI-MKXGPGLRSA-N 2 2 363.502 0.951 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001279473483 1260876273 /nfs/dbraw/zinc/87/62/73/1260876273.db2.gz CPFZEEYUGUXCOI-MKXGPGLRSA-N 2 2 363.502 0.951 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501457 1260881622 /nfs/dbraw/zinc/88/16/22/1260881622.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501457 1260881623 /nfs/dbraw/zinc/88/16/23/1260881623.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501457 1260881627 /nfs/dbraw/zinc/88/16/27/1260881627.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 3 2 365.566 0.546 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001279501457 1260881629 /nfs/dbraw/zinc/88/16/29/1260881629.db2.gz GKSHZLKOEXGGEB-ICSRJNTNSA-N 3 2 365.566 0.546 20 0 FCADLP COc1ncnc(OC)c1C[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001279616290 1260900123 /nfs/dbraw/zinc/90/01/23/1260900123.db2.gz YSKFAGODNISKGB-UHFFFAOYSA-N 2 2 363.462 0.480 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2cc(F)ccn2)C[C@]2(CCCC(=O)N2)C1 ZINC001279627087 1260904127 /nfs/dbraw/zinc/90/41/27/1260904127.db2.gz IKDYWKIPNHXRBA-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cc(F)ccn2)C[C@]2(CCCC(=O)N2)C1 ZINC001279627087 1260904132 /nfs/dbraw/zinc/90/41/32/1260904132.db2.gz IKDYWKIPNHXRBA-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(N4CCOCC4)nc3)C2)C1 ZINC001279714250 1260919477 /nfs/dbraw/zinc/91/94/77/1260919477.db2.gz GNOVNGVZWWKNCZ-UHFFFAOYSA-N 2 2 359.518 0.988 20 0 FCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2COCCC23C[NH+](Cc2cc[nH]n2)C3)CC1 ZINC001279914991 1260959194 /nfs/dbraw/zinc/95/91/94/1260959194.db2.gz CMKVEJQIWYERHA-KRWDZBQOSA-N 2 2 361.490 0.801 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@H+](CCn3ccnc3)C[C@H]21 ZINC001280039919 1260983266 /nfs/dbraw/zinc/98/32/66/1260983266.db2.gz USGSOQADLXTVTP-KURKYZTESA-N 2 2 359.474 0.279 20 0 FCADLP O=C([C@H]1CC2CC[NH+]1CC2)N1CCO[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]21 ZINC001280039919 1260983272 /nfs/dbraw/zinc/98/32/72/1260983272.db2.gz USGSOQADLXTVTP-KURKYZTESA-N 2 2 359.474 0.279 20 0 FCADLP COCCOCN1CC[N@@H+](C2CC[NH+](C)CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280070589 1260989467 /nfs/dbraw/zinc/98/94/67/1260989467.db2.gz CUOYZOSGPOPRHD-LJQANCHMSA-N 2 2 368.522 0.358 20 0 FCADLP COCCOCN1CC[N@H+](C2CC[NH+](C)CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280070589 1260989469 /nfs/dbraw/zinc/98/94/69/1260989469.db2.gz CUOYZOSGPOPRHD-LJQANCHMSA-N 2 2 368.522 0.358 20 0 FCADLP COCOCCC[NH+]1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001280089816 1260996121 /nfs/dbraw/zinc/99/61/21/1260996121.db2.gz HQCQNDIASUBXJG-KRWDZBQOSA-N 2 2 369.506 0.783 20 0 FCADLP COCCC[NH+]1CC2(C1)CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)O2 ZINC001280097329 1261001665 /nfs/dbraw/zinc/00/16/65/1261001665.db2.gz GROLCLXXBKWZMD-MRXNPFEDSA-N 2 2 365.478 0.653 20 0 FCADLP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001280188939 1261026355 /nfs/dbraw/zinc/02/63/55/1261026355.db2.gz MHXXODBIMCJFNR-HNNXBMFYSA-N 2 2 356.470 0.934 20 0 FCADLP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001280188939 1261026359 /nfs/dbraw/zinc/02/63/59/1261026359.db2.gz MHXXODBIMCJFNR-HNNXBMFYSA-N 2 2 356.470 0.934 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259415 1261042651 /nfs/dbraw/zinc/04/26/51/1261042651.db2.gz OMLRYFJMEYMBPV-RDJZCZTQSA-N 2 2 361.490 0.706 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NCc2c[nH]cn2)C1 ZINC001280259415 1261042660 /nfs/dbraw/zinc/04/26/60/1261042660.db2.gz OMLRYFJMEYMBPV-RDJZCZTQSA-N 2 2 361.490 0.706 20 0 FCADLP CNc1nccc(C[NH+]2CC3(C[C@H]3C(=O)N3CCC([NH+](C)C)CC3)C2)n1 ZINC001280290184 1261047831 /nfs/dbraw/zinc/04/78/31/1261047831.db2.gz ADVRORAUCZYSDD-INIZCTEOSA-N 2 2 358.490 0.893 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@@H]2C[C@@]21C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001280289352 1261047990 /nfs/dbraw/zinc/04/79/90/1261047990.db2.gz AKNOTEBKMCBAAD-KDOFPFPSSA-N 2 2 357.462 0.781 20 0 FCADLP Cc1nc[nH]c1C[NH+]1CC2(C[C@H]2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001280341398 1261058862 /nfs/dbraw/zinc/05/88/62/1261058862.db2.gz MGSDVBMUDGVBNO-HNNXBMFYSA-N 2 2 357.462 0.937 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2CN(Cc3[nH]c[nH+]c3C)C[C@H]12 ZINC001280344534 1261060894 /nfs/dbraw/zinc/06/08/94/1261060894.db2.gz QNHINLHYPYEWET-GOEBONIOSA-N 2 2 362.478 0.705 20 0 FCADLP Cn1nc(C2CC2)nc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001332499687 1266417738 /nfs/dbraw/zinc/41/77/38/1266417738.db2.gz LSCBORSUTFVKGI-UHFFFAOYSA-N 2 2 360.506 0.910 20 0 FCADLP CC(C)[C@H](C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)[NH+](C)C ZINC001285962838 1261898405 /nfs/dbraw/zinc/89/84/05/1261898405.db2.gz LPLIECSBPJFCHX-IIAWOOMASA-N 2 2 361.490 0.875 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C)CC[N@@H+]1C ZINC001288221093 1262012695 /nfs/dbraw/zinc/01/26/95/1262012695.db2.gz GPDBVJLPZRLRAU-FVQBIDKESA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C)CC[N@H+]1C ZINC001288221093 1262012700 /nfs/dbraw/zinc/01/27/00/1262012700.db2.gz GPDBVJLPZRLRAU-FVQBIDKESA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001580327810 1278128569 /nfs/dbraw/zinc/12/85/69/1278128569.db2.gz WIIBNBXGPAWQQR-MLGOLLRUSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001580328075 1278129588 /nfs/dbraw/zinc/12/95/88/1278129588.db2.gz XMJOBKRZPATGFM-CZUORRHYSA-N 2 2 366.429 0.700 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001290076729 1262375789 /nfs/dbraw/zinc/37/57/89/1262375789.db2.gz WSOOCIBSIJOFAM-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001290076729 1262375797 /nfs/dbraw/zinc/37/57/97/1262375797.db2.gz WSOOCIBSIJOFAM-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)NC(=O)Nc3ccccc3)C2)nn1 ZINC001580349421 1278147901 /nfs/dbraw/zinc/14/79/01/1278147901.db2.gz XMRHEHFCLFVWLV-OAHLLOKOSA-N 2 2 357.418 0.722 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C2)nn1 ZINC001580349421 1278147903 /nfs/dbraw/zinc/14/79/03/1278147903.db2.gz XMRHEHFCLFVWLV-OAHLLOKOSA-N 2 2 357.418 0.722 20 0 FCADLP CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1CC[NH+]1CCCC1 ZINC001297079138 1262847983 /nfs/dbraw/zinc/84/79/83/1262847983.db2.gz JCKJGUWKADUTLQ-UHFFFAOYSA-N 2 2 366.510 0.679 20 0 FCADLP Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001304855769 1263152058 /nfs/dbraw/zinc/15/20/58/1263152058.db2.gz PXCYMRLNENOGDG-GOSISDBHSA-N 2 2 357.462 0.375 20 0 FCADLP Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001304855769 1263152064 /nfs/dbraw/zinc/15/20/64/1263152064.db2.gz PXCYMRLNENOGDG-GOSISDBHSA-N 2 2 357.462 0.375 20 0 FCADLP CCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001306212879 1263180150 /nfs/dbraw/zinc/18/01/50/1263180150.db2.gz MGSSKTWOKGPZQT-OAHLLOKOSA-N 2 2 358.446 0.813 20 0 FCADLP CCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001306212879 1263180151 /nfs/dbraw/zinc/18/01/51/1263180151.db2.gz MGSSKTWOKGPZQT-OAHLLOKOSA-N 2 2 358.446 0.813 20 0 FCADLP Cn1nncc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675380 1263341718 /nfs/dbraw/zinc/34/17/18/1263341718.db2.gz ODSBGHYSNCSESD-CVEARBPZSA-N 2 2 357.462 0.772 20 0 FCADLP Cn1nncc1C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675380 1263341727 /nfs/dbraw/zinc/34/17/27/1263341727.db2.gz ODSBGHYSNCSESD-CVEARBPZSA-N 2 2 357.462 0.772 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001321508753 1263979295 /nfs/dbraw/zinc/97/92/95/1263979295.db2.gz KNXZDSZTMYXXFP-INIZCTEOSA-N 2 2 355.442 0.899 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)[NH+]1CCOCC1 ZINC001321643035 1264020260 /nfs/dbraw/zinc/02/02/60/1264020260.db2.gz ONDPSQWDIKEXBR-ZACQAIPSSA-N 2 2 368.522 0.448 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001322489149 1264204821 /nfs/dbraw/zinc/20/48/21/1264204821.db2.gz XQUNQCIXFJJNSC-LSDHHAIUSA-N 2 2 359.474 0.554 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001322489149 1264204829 /nfs/dbraw/zinc/20/48/29/1264204829.db2.gz XQUNQCIXFJJNSC-LSDHHAIUSA-N 2 2 359.474 0.554 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001324934334 1264737969 /nfs/dbraw/zinc/73/79/69/1264737969.db2.gz MXHQGKJSPNXWCB-INIZCTEOSA-N 2 2 368.522 0.497 20 0 FCADLP COC(C)(C)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001324934334 1264737977 /nfs/dbraw/zinc/73/79/77/1264737977.db2.gz MXHQGKJSPNXWCB-INIZCTEOSA-N 2 2 368.522 0.497 20 0 FCADLP COc1cccc(C[C@@H](O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123630 1265061886 /nfs/dbraw/zinc/06/18/86/1265061886.db2.gz HJNSIXFRMCFKNC-QFBILLFUSA-N 2 2 361.486 0.883 20 0 FCADLP COc1cccc(C[C@@H](O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001326123630 1265061893 /nfs/dbraw/zinc/06/18/93/1265061893.db2.gz HJNSIXFRMCFKNC-QFBILLFUSA-N 2 2 361.486 0.883 20 0 FCADLP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001513387837 1265084289 /nfs/dbraw/zinc/08/42/89/1265084289.db2.gz GEWZBFYYGCRQAT-HZPDHXFCSA-N 2 2 363.462 0.026 20 0 FCADLP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001513387837 1265084300 /nfs/dbraw/zinc/08/43/00/1265084300.db2.gz GEWZBFYYGCRQAT-HZPDHXFCSA-N 2 2 363.462 0.026 20 0 FCADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)NCCCn3cc[nH+]c3)C2)C1 ZINC001326549269 1265132051 /nfs/dbraw/zinc/13/20/51/1265132051.db2.gz IJBWQCRNHBSGRM-ARFHVFGLSA-N 2 2 363.462 0.134 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@](C)(O)CC3)C2)CC1 ZINC001326623997 1265145193 /nfs/dbraw/zinc/14/51/93/1265145193.db2.gz QBWITPSYFIZQPP-HNAYVOBHSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@](C)(O)CC3)C2)CC1 ZINC001326623997 1265145196 /nfs/dbraw/zinc/14/51/96/1265145196.db2.gz QBWITPSYFIZQPP-HNAYVOBHSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H](CO)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327366649 1265291125 /nfs/dbraw/zinc/29/11/25/1265291125.db2.gz DJMZWHPHADRWRQ-RDJZCZTQSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@H](CO)CCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327366649 1265291130 /nfs/dbraw/zinc/29/11/30/1265291130.db2.gz DJMZWHPHADRWRQ-RDJZCZTQSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001514019728 1265316179 /nfs/dbraw/zinc/31/61/79/1265316179.db2.gz IIRXJSUVLWTOKV-BFYDXBDKSA-N 2 2 361.490 0.989 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@H+]3C)CC2)cc1 ZINC001333223154 1266558770 /nfs/dbraw/zinc/55/87/70/1266558770.db2.gz GUZKMRMNJTUBIN-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C(=O)NC[C@H]3CC[N@@H+]3C)CC2)cc1 ZINC001333223154 1266558779 /nfs/dbraw/zinc/55/87/79/1266558779.db2.gz GUZKMRMNJTUBIN-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CC[NH+]3C)CC2)cc1 ZINC001333223154 1266558785 /nfs/dbraw/zinc/55/87/85/1266558785.db2.gz GUZKMRMNJTUBIN-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CC[NH+]3C)CC2)cc1 ZINC001333223154 1266558796 /nfs/dbraw/zinc/55/87/96/1266558796.db2.gz GUZKMRMNJTUBIN-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP CCN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[NH2+]C1 ZINC001333750527 1266701772 /nfs/dbraw/zinc/70/17/72/1266701772.db2.gz NHARGFULLSCEDN-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399365 1266894812 /nfs/dbraw/zinc/89/48/12/1266894812.db2.gz HQPDJCJOPITPCE-APWZRJJASA-N 2 2 358.486 0.523 20 0 FCADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001527399365 1266894830 /nfs/dbraw/zinc/89/48/30/1266894830.db2.gz HQPDJCJOPITPCE-APWZRJJASA-N 2 2 358.486 0.523 20 0 FCADLP C[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC001528252932 1266959066 /nfs/dbraw/zinc/95/90/66/1266959066.db2.gz CNLJMJFWOPAUCQ-SQNIBIBYSA-N 2 2 367.538 0.565 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3C(N)=O)CC2)CC1 ZINC001548378799 1267691529 /nfs/dbraw/zinc/69/15/29/1267691529.db2.gz PYBQLSAZLDRCHF-UAGQMJEPSA-N 2 2 366.506 0.141 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3OCC[C@@H]3C(N)=O)CC2)CC1 ZINC001548378801 1267691656 /nfs/dbraw/zinc/69/16/56/1267691656.db2.gz PYBQLSAZLDRCHF-XIRDDKMYSA-N 2 2 366.506 0.141 20 0 FCADLP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC001548897938 1267766697 /nfs/dbraw/zinc/76/66/97/1267766697.db2.gz RHPDLLAMQBCHEQ-WMLDXEAASA-N 2 2 362.478 0.818 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC001548940161 1267774625 /nfs/dbraw/zinc/77/46/25/1267774625.db2.gz RRPIBQDKANVVEB-JKIFEVAISA-N 2 2 368.478 0.726 20 0 FCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)C1 ZINC001548940161 1267774629 /nfs/dbraw/zinc/77/46/29/1267774629.db2.gz RRPIBQDKANVVEB-JKIFEVAISA-N 2 2 368.478 0.726 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001549154026 1267832664 /nfs/dbraw/zinc/83/26/64/1267832664.db2.gz TWPNZSPADSGORF-GRDNDAEWSA-N 2 2 360.462 0.523 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001549154026 1267832673 /nfs/dbraw/zinc/83/26/73/1267832673.db2.gz TWPNZSPADSGORF-GRDNDAEWSA-N 2 2 360.462 0.523 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001549154337 1267832935 /nfs/dbraw/zinc/83/29/35/1267832935.db2.gz VPBDHUTWYXFMOH-WMLDXEAASA-N 2 2 360.462 0.620 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549158216 1267837977 /nfs/dbraw/zinc/83/79/77/1267837977.db2.gz GYPICVRHXMRPKJ-JKIFEVAISA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001549161122 1267840364 /nfs/dbraw/zinc/84/03/64/1267840364.db2.gz ICXFFUFOVQWAIO-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001549161122 1267840381 /nfs/dbraw/zinc/84/03/81/1267840381.db2.gz ICXFFUFOVQWAIO-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC001549176479 1267853847 /nfs/dbraw/zinc/85/38/47/1267853847.db2.gz IFFGZVIEQKWYSS-GRDNDAEWSA-N 2 2 362.478 0.947 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001549176810 1267854082 /nfs/dbraw/zinc/85/40/82/1267854082.db2.gz XKXQQBBOVYNRDX-YRBFXIGRSA-N 2 2 374.489 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001549240757 1267872472 /nfs/dbraw/zinc/87/24/72/1267872472.db2.gz OQXOEAXXOTUKGX-DVOMOZLQSA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001549240757 1267872488 /nfs/dbraw/zinc/87/24/88/1267872488.db2.gz OQXOEAXXOTUKGX-DVOMOZLQSA-N 2 2 362.478 0.912 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549357234 1267907217 /nfs/dbraw/zinc/90/72/17/1267907217.db2.gz HAOHBCXTLOTIQV-YESZJQIVSA-N 2 2 366.506 0.338 20 0 FCADLP C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH+](C)CC1 ZINC001549487891 1267926216 /nfs/dbraw/zinc/92/62/16/1267926216.db2.gz GLQJOTVQAGQAAT-IXDOHACOSA-N 2 2 350.507 0.382 20 0 FCADLP Cc1c([C@@H]2C[N@H+](Cc3ncc(C[NH+](C)C)s3)C[C@@H]2C(N)=O)cnn1C ZINC001549543276 1267950591 /nfs/dbraw/zinc/95/05/91/1267950591.db2.gz ZIJTXFWVIUNEHE-GJZGRUSLSA-N 2 2 362.503 0.948 20 0 FCADLP Cc1c([C@@H]2C[N@@H+](Cc3ncc(C[NH+](C)C)s3)C[C@@H]2C(N)=O)cnn1C ZINC001549543276 1267950600 /nfs/dbraw/zinc/95/06/00/1267950600.db2.gz ZIJTXFWVIUNEHE-GJZGRUSLSA-N 2 2 362.503 0.948 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@@H](n4ccnn4)[C@H]([NH+](C)C)C3)nc[nH+]2)C1 ZINC001549560560 1267954535 /nfs/dbraw/zinc/95/45/35/1267954535.db2.gz UWVDADSBFJXCLH-ZJIFWQFVSA-N 2 2 372.477 0.267 20 0 FCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@H](n4ccnn4)[C@@H]([NH+](C)C)C3)nc[nH+]2)C1 ZINC001549560558 1267955841 /nfs/dbraw/zinc/95/58/41/1267955841.db2.gz UWVDADSBFJXCLH-FZKCQIBNSA-N 2 2 372.477 0.267 20 0 FCADLP [NH3+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C2)nn1 ZINC001550095934 1268073013 /nfs/dbraw/zinc/07/30/13/1268073013.db2.gz RJNJVPXDKXUAOY-VXGBXAGGSA-N 2 2 357.340 0.900 20 0 FCADLP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCc2cnn3c2C[NH2+]CC3)c1 ZINC001550286305 1268104358 /nfs/dbraw/zinc/10/43/58/1268104358.db2.gz YZSJGFFXVWJGJR-QGZVFWFLSA-N 2 2 370.457 0.851 20 0 FCADLP Cn1c([C@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001339486987 1268249811 /nfs/dbraw/zinc/24/98/11/1268249811.db2.gz LTOAFMAFCLBSCI-CABCVRRESA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@H]2CCC[NH+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001339486987 1268249818 /nfs/dbraw/zinc/24/98/18/1268249818.db2.gz LTOAFMAFCLBSCI-CABCVRRESA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001339486987 1268249824 /nfs/dbraw/zinc/24/98/24/1268249824.db2.gz LTOAFMAFCLBSCI-CABCVRRESA-N 2 2 361.494 0.325 20 0 FCADLP Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001339486987 1268249828 /nfs/dbraw/zinc/24/98/28/1268249828.db2.gz LTOAFMAFCLBSCI-CABCVRRESA-N 2 2 361.494 0.325 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576794 1268275404 /nfs/dbraw/zinc/27/54/04/1268275404.db2.gz RAUNJMAHTKFGQG-SFANZJOMSA-N 2 2 357.502 0.982 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551576794 1268275415 /nfs/dbraw/zinc/27/54/15/1268275415.db2.gz RAUNJMAHTKFGQG-SFANZJOMSA-N 2 2 357.502 0.982 20 0 FCADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576792 1268275640 /nfs/dbraw/zinc/27/56/40/1268275640.db2.gz RAUNJMAHTKFGQG-NNVNDSJASA-N 2 2 357.502 0.982 20 0 FCADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551576792 1268275646 /nfs/dbraw/zinc/27/56/46/1268275646.db2.gz RAUNJMAHTKFGQG-NNVNDSJASA-N 2 2 357.502 0.982 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001551585312 1268279905 /nfs/dbraw/zinc/27/99/05/1268279905.db2.gz ANJFCMPATIGJQO-YJBOKZPZSA-N 2 2 370.457 0.780 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936240 1268314839 /nfs/dbraw/zinc/31/48/39/1268314839.db2.gz FVMBYRHHEHQNQW-XHSDSOJGSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551936240 1268314854 /nfs/dbraw/zinc/31/48/54/1268314854.db2.gz FVMBYRHHEHQNQW-XHSDSOJGSA-N 2 2 374.489 0.786 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)N(c2cc(N)[nH+]cn2)C1 ZINC001551939026 1268316878 /nfs/dbraw/zinc/31/68/78/1268316878.db2.gz LFVWPCUICHXCNM-LJISPDSOSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)N(c2cc(N)[nH+]cn2)C1 ZINC001551939026 1268316888 /nfs/dbraw/zinc/31/68/88/1268316888.db2.gz LFVWPCUICHXCNM-LJISPDSOSA-N 2 2 362.478 0.642 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938958 1268317939 /nfs/dbraw/zinc/31/79/39/1268317939.db2.gz KWINLPDGSCTNOQ-ZNMIVQPWSA-N 2 2 360.462 0.396 20 0 FCADLP CO[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)N(c2cc(N)[nH+]cn2)C1 ZINC001551938958 1268317950 /nfs/dbraw/zinc/31/79/50/1268317950.db2.gz KWINLPDGSCTNOQ-ZNMIVQPWSA-N 2 2 360.462 0.396 20 0 FCADLP CO[C@@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(c2cc(N)nc[nH+]2)C1 ZINC001551942848 1268319989 /nfs/dbraw/zinc/31/99/89/1268319989.db2.gz YTCQIBSXJKNSCW-HUUCEWRRSA-N 2 2 374.489 0.645 20 0 FCADLP CO[C@H]1CCCCN(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111992 1268378346 /nfs/dbraw/zinc/37/83/46/1268378346.db2.gz ZXAPRFYWMCOURU-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@H]1CCCCN(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001552111992 1268378358 /nfs/dbraw/zinc/37/83/58/1268378358.db2.gz ZXAPRFYWMCOURU-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001552116023 1268380716 /nfs/dbraw/zinc/38/07/16/1268380716.db2.gz QIWZBFHVLSOTFZ-CVEARBPZSA-N 2 2 365.478 0.955 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cnn1C ZINC001552167775 1268399080 /nfs/dbraw/zinc/39/90/80/1268399080.db2.gz JDFCNSQDDXLBFC-MGHWNKPDSA-N 2 2 361.490 0.211 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC001552167463 1268400139 /nfs/dbraw/zinc/40/01/39/1268400139.db2.gz MUROSBFFFITUTQ-MNEFBYGVSA-N 3 2 374.533 0.316 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC001552167463 1268400144 /nfs/dbraw/zinc/40/01/44/1268400144.db2.gz MUROSBFFFITUTQ-MNEFBYGVSA-N 3 2 374.533 0.316 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@H]4COC[C@@H]43)C2)CC1 ZINC001552178552 1268403670 /nfs/dbraw/zinc/40/36/70/1268403670.db2.gz PTSMZYXDGXIOGA-XIRDDKMYSA-N 2 2 366.506 0.743 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(C)(C)O[C@H]4COC[C@@H]43)C2)CC1 ZINC001552178552 1268403672 /nfs/dbraw/zinc/40/36/72/1268403672.db2.gz PTSMZYXDGXIOGA-XIRDDKMYSA-N 2 2 366.506 0.743 20 0 FCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155595 1268453186 /nfs/dbraw/zinc/45/31/86/1268453186.db2.gz XBRIFYSLQJGEHR-GOEBONIOSA-N 2 2 374.551 0.477 20 0 FCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001340155595 1268453189 /nfs/dbraw/zinc/45/31/89/1268453189.db2.gz XBRIFYSLQJGEHR-GOEBONIOSA-N 2 2 374.551 0.477 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC001552690828 1268521607 /nfs/dbraw/zinc/52/16/07/1268521607.db2.gz KZVJLBCJGFVNNI-KRWDZBQOSA-N 2 2 361.490 0.687 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC001552690828 1268521610 /nfs/dbraw/zinc/52/16/10/1268521610.db2.gz KZVJLBCJGFVNNI-KRWDZBQOSA-N 2 2 361.490 0.687 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC001552691243 1268521845 /nfs/dbraw/zinc/52/18/45/1268521845.db2.gz QGQJCYYEIJPWLR-OIISXLGYSA-N 2 2 364.494 0.807 20 0 FCADLP CC(C)(CNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC001552690299 1268522077 /nfs/dbraw/zinc/52/20/77/1268522077.db2.gz DHGXATCLBWBKFN-ZFWWWQNUSA-N 2 2 350.467 0.561 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001552838702 1268557375 /nfs/dbraw/zinc/55/73/75/1268557375.db2.gz QAUYKSBILFJEPW-IUCAKERBSA-N 2 2 364.347 0.725 20 0 FCADLP CC[N@@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995804 1268574195 /nfs/dbraw/zinc/57/41/95/1268574195.db2.gz LBELDLHZQRSCIE-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP CC[N@H+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995804 1268574202 /nfs/dbraw/zinc/57/42/02/1268574202.db2.gz LBELDLHZQRSCIE-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995804 1268574206 /nfs/dbraw/zinc/57/42/06/1268574206.db2.gz LBELDLHZQRSCIE-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP CC[NH+]1C[C@@]2(C[C@@H](NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001552995804 1268574212 /nfs/dbraw/zinc/57/42/12/1268574212.db2.gz LBELDLHZQRSCIE-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001553090200 1268589083 /nfs/dbraw/zinc/58/90/83/1268589083.db2.gz NDFANKBKHQZDMV-BZSNNMDCSA-N 2 2 351.491 0.953 20 0 FCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CC[C@@H](C[NH+]3CCOCC3)O1)CC2 ZINC001553126572 1268593226 /nfs/dbraw/zinc/59/32/26/1268593226.db2.gz DLZJGNGTBMMRLJ-DLBZAZTESA-N 2 2 351.491 0.953 20 0 FCADLP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CC[C@@H](C[NH+]3CCOCC3)O1)CC2 ZINC001553126572 1268593229 /nfs/dbraw/zinc/59/32/29/1268593229.db2.gz DLZJGNGTBMMRLJ-DLBZAZTESA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449591 1268652373 /nfs/dbraw/zinc/65/23/73/1268652373.db2.gz GQSYJAHYZJJDMA-WBVHZDCISA-N 3 2 365.522 0.304 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@H]([NH3+])C4(C3)CCOCC4)C2)CC1 ZINC001553449591 1268652382 /nfs/dbraw/zinc/65/23/82/1268652382.db2.gz GQSYJAHYZJJDMA-WBVHZDCISA-N 3 2 365.522 0.304 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001341097469 1268782747 /nfs/dbraw/zinc/78/27/47/1268782747.db2.gz LZBJHQARBPCZGT-ZACQAIPSSA-N 2 2 364.494 0.790 20 0 FCADLP CC[C@@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001341097469 1268782751 /nfs/dbraw/zinc/78/27/51/1268782751.db2.gz LZBJHQARBPCZGT-ZACQAIPSSA-N 2 2 364.494 0.790 20 0 FCADLP [NH3+]C1(CNC(=O)C[NH+]2CCC(CO)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001341102545 1268785670 /nfs/dbraw/zinc/78/56/70/1268785670.db2.gz JOSBHIUTZGHZFT-UHFFFAOYSA-N 3 2 374.529 0.800 20 0 FCADLP [NH3+]C1(CNC(=O)CN2CCC(CO)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001341102545 1268785673 /nfs/dbraw/zinc/78/56/73/1268785673.db2.gz JOSBHIUTZGHZFT-UHFFFAOYSA-N 2 2 374.529 0.800 20 0 FCADLP COCC[N@@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001555582331 1268788516 /nfs/dbraw/zinc/78/85/16/1268788516.db2.gz UGAVGCKFYWWAMR-HZPDHXFCSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[N@H+]1CCN(c2nnc(C)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001555582331 1268788519 /nfs/dbraw/zinc/78/85/19/1268788519.db2.gz UGAVGCKFYWWAMR-HZPDHXFCSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001555582331 1268788521 /nfs/dbraw/zinc/78/85/21/1268788521.db2.gz UGAVGCKFYWWAMR-HZPDHXFCSA-N 2 2 366.510 0.464 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001555582331 1268788527 /nfs/dbraw/zinc/78/85/27/1268788527.db2.gz UGAVGCKFYWWAMR-HZPDHXFCSA-N 2 2 366.510 0.464 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001341672865 1269145195 /nfs/dbraw/zinc/14/51/95/1269145195.db2.gz NVTSJQSDMKMOIQ-GOSISDBHSA-N 2 2 362.474 0.947 20 0 FCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001341691758 1269152789 /nfs/dbraw/zinc/15/27/89/1269152789.db2.gz MFIUGWFISNPRGD-MOPGFXCFSA-N 2 2 353.507 0.711 20 0 FCADLP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001341716975 1269166592 /nfs/dbraw/zinc/16/65/92/1269166592.db2.gz LZAHXGLFORYAIF-QRWLVFNGSA-N 2 2 359.470 0.976 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001565926848 1269521831 /nfs/dbraw/zinc/52/18/31/1269521831.db2.gz CGXPHHSBHHTXJP-DLBZAZTESA-N 2 2 371.489 0.636 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001565926848 1269521835 /nfs/dbraw/zinc/52/18/35/1269521835.db2.gz CGXPHHSBHHTXJP-DLBZAZTESA-N 2 2 371.489 0.636 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053012 1269586099 /nfs/dbraw/zinc/58/60/99/1269586099.db2.gz RBIXXKHXGRFXDO-VYDXJSESSA-N 2 2 350.463 0.140 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053012 1269586103 /nfs/dbraw/zinc/58/61/03/1269586103.db2.gz RBIXXKHXGRFXDO-VYDXJSESSA-N 2 2 350.463 0.140 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@H]1CCNC(=O)CC1 ZINC001567347445 1269691622 /nfs/dbraw/zinc/69/16/22/1269691622.db2.gz CXMNFLFZMAAJEW-BZUAXINKSA-N 2 2 361.490 0.878 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@H]1CCNC(=O)CC1 ZINC001567347445 1269691629 /nfs/dbraw/zinc/69/16/29/1269691629.db2.gz CXMNFLFZMAAJEW-BZUAXINKSA-N 2 2 361.490 0.878 20 0 FCADLP Cc1nc([C@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001570413886 1269879438 /nfs/dbraw/zinc/87/94/38/1269879438.db2.gz IFPVRULRJQLOJB-GZBFAFLISA-N 2 2 365.478 0.722 20 0 FCADLP Cc1nc([C@H](C)[NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001570413886 1269879449 /nfs/dbraw/zinc/87/94/49/1269879449.db2.gz IFPVRULRJQLOJB-GZBFAFLISA-N 2 2 365.478 0.722 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001573067229 1270588894 /nfs/dbraw/zinc/58/88/94/1270588894.db2.gz VLIHYHJDDDNCKH-YFHUEUNASA-N 2 2 373.501 0.925 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574260355 1271131251 /nfs/dbraw/zinc/13/12/51/1271131251.db2.gz GFSKBPMBPYQSDF-ZIAGYGMSSA-N 2 2 372.477 0.790 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001574260355 1271131260 /nfs/dbraw/zinc/13/12/60/1271131260.db2.gz GFSKBPMBPYQSDF-ZIAGYGMSSA-N 2 2 372.477 0.790 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260679 1271132387 /nfs/dbraw/zinc/13/23/87/1271132387.db2.gz RIBNOLYGUKLGQI-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260679 1271132392 /nfs/dbraw/zinc/13/23/92/1271132392.db2.gz RIBNOLYGUKLGQI-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260679 1271132395 /nfs/dbraw/zinc/13/23/95/1271132395.db2.gz RIBNOLYGUKLGQI-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574260679 1271132399 /nfs/dbraw/zinc/13/23/99/1271132399.db2.gz RIBNOLYGUKLGQI-MRXNPFEDSA-N 2 2 357.462 0.897 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574783249 1271516397 /nfs/dbraw/zinc/51/63/97/1271516397.db2.gz AIYFLZBINVDZFO-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574783249 1271516402 /nfs/dbraw/zinc/51/64/02/1271516402.db2.gz AIYFLZBINVDZFO-LBPRGKRZSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574786713 1271519121 /nfs/dbraw/zinc/51/91/21/1271519121.db2.gz XFSBEWUAUCEMPL-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574786713 1271519132 /nfs/dbraw/zinc/51/91/32/1271519132.db2.gz XFSBEWUAUCEMPL-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149896 1271749685 /nfs/dbraw/zinc/74/96/85/1271749685.db2.gz OUJZIFFZPCADGA-ACJLOTCBSA-N 2 2 355.479 0.676 20 0 FCADLP CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH2+]CCO1 ZINC001575149896 1271749699 /nfs/dbraw/zinc/74/96/99/1271749699.db2.gz OUJZIFFZPCADGA-ACJLOTCBSA-N 2 2 355.479 0.676 20 0 FCADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001575214758 1271795472 /nfs/dbraw/zinc/79/54/72/1271795472.db2.gz FTIRXWUXRMNRAA-ZIAGYGMSSA-N 2 2 358.458 0.792 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575378714 1272022420 /nfs/dbraw/zinc/02/24/20/1272022420.db2.gz JCBWFVFEYKLCAU-WDEREUQCSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575387629 1272035350 /nfs/dbraw/zinc/03/53/50/1272035350.db2.gz VEKFAHXARTUDBZ-QWHCGFSZSA-N 2 2 354.418 0.746 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001575389366 1272037152 /nfs/dbraw/zinc/03/71/52/1272037152.db2.gz USSHWGBGRVVLAX-NEPJUHHUSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391801 1272039082 /nfs/dbraw/zinc/03/90/82/1272039082.db2.gz LAOMDBBZXVEXBU-QWHCGFSZSA-N 2 2 368.445 0.826 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001575393247 1272041260 /nfs/dbraw/zinc/04/12/60/1272041260.db2.gz VKFGQSMPRZOTHJ-NEPJUHHUSA-N 2 2 372.408 0.885 20 0 FCADLP C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001575401824 1272051448 /nfs/dbraw/zinc/05/14/48/1272051448.db2.gz QWSJTBYEWDLTSS-NEPJUHHUSA-N 2 2 354.418 0.815 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N2CCC[C@](CO)([NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001575423031 1272087706 /nfs/dbraw/zinc/08/77/06/1272087706.db2.gz ZEKLJAAEBMDZHD-SFHVURJKSA-N 2 2 364.494 0.368 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001575438863 1272107649 /nfs/dbraw/zinc/10/76/49/1272107649.db2.gz KUUSCRFVELVSQA-CHWSQXEVSA-N 2 2 367.417 0.229 20 0 FCADLP O=C(CCNC(=O)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC001580672350 1278688867 /nfs/dbraw/zinc/68/88/67/1278688867.db2.gz BPOCASBVJWNXKL-HDMKZQKVSA-N 2 2 357.458 0.092 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575819932 1272479664 /nfs/dbraw/zinc/47/96/64/1272479664.db2.gz YKFIDXKJBCHMRX-MRXNPFEDSA-N 2 2 372.458 0.906 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575819932 1272479666 /nfs/dbraw/zinc/47/96/66/1272479666.db2.gz YKFIDXKJBCHMRX-MRXNPFEDSA-N 2 2 372.458 0.906 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001576008969 1272703548 /nfs/dbraw/zinc/70/35/48/1272703548.db2.gz VORLCPWYATUUEY-UKPHBRMFSA-N 2 2 350.438 0.983 20 0 FCADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001576019557 1272718574 /nfs/dbraw/zinc/71/85/74/1272718574.db2.gz AAFGHLRVKWSFGK-DOMZBBRYSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001576020901 1272722826 /nfs/dbraw/zinc/72/28/26/1272722826.db2.gz HGGZRMHGVVRXJT-XJKSGUPXSA-N 2 2 366.429 0.842 20 0 FCADLP C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001576063788 1272813351 /nfs/dbraw/zinc/81/33/51/1272813351.db2.gz FQMVBDWSXUWVLG-CVEARBPZSA-N 2 2 371.489 0.522 20 0 FCADLP C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC001576070401 1272831275 /nfs/dbraw/zinc/83/12/75/1272831275.db2.gz JTEVTBBMWMNIPD-HRCADAONSA-N 2 2 364.494 0.635 20 0 FCADLP C[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576083639 1272856599 /nfs/dbraw/zinc/85/65/99/1272856599.db2.gz FDZBLOQCOWZOKO-JSGCOSHPSA-N 2 2 370.461 0.332 20 0 FCADLP C[C@@H]([NH3+])C1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC001576103905 1272890104 /nfs/dbraw/zinc/89/01/04/1272890104.db2.gz UBWWMOKHUATBCG-HZPDHXFCSA-N 2 2 355.479 0.080 20 0 FCADLP C[C@@H]([NH2+]Cc1cnn[nH]1)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001576103415 1272890847 /nfs/dbraw/zinc/89/08/47/1272890847.db2.gz BZXJRGQKFMSRNU-ZBFHGGJFSA-N 2 2 350.467 0.242 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576124384 1272920907 /nfs/dbraw/zinc/92/09/07/1272920907.db2.gz AFRCXTZNFONBHP-STQMWFEESA-N 2 2 367.417 0.632 20 0 FCADLP CC[C@H](C(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576481549 1273322249 /nfs/dbraw/zinc/32/22/49/1273322249.db2.gz CQKGENUZBIJRFA-MRXNPFEDSA-N 2 2 357.462 0.850 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484796 1273329711 /nfs/dbraw/zinc/32/97/11/1273329711.db2.gz APLPYVOEYJBNBH-WBVHZDCISA-N 2 2 350.467 0.122 20 0 FCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]Cc2cnn[nH]2)C1 ZINC001576484796 1273329714 /nfs/dbraw/zinc/32/97/14/1273329714.db2.gz APLPYVOEYJBNBH-WBVHZDCISA-N 2 2 350.467 0.122 20 0 FCADLP CC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001576499049 1273359895 /nfs/dbraw/zinc/35/98/95/1273359895.db2.gz HNKVZEFJLGLQMN-JSGCOSHPSA-N 2 2 358.450 0.687 20 0 FCADLP CC[C@@H](C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501095 1273364921 /nfs/dbraw/zinc/36/49/21/1273364921.db2.gz UUMPWHFCHMQNEF-HIFRSBDPSA-N 2 2 372.477 0.935 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576519673 1273404414 /nfs/dbraw/zinc/40/44/14/1273404414.db2.gz OGZACZMLBNQDDS-YESZJQIVSA-N 2 2 369.473 0.992 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576519673 1273404420 /nfs/dbraw/zinc/40/44/20/1273404420.db2.gz OGZACZMLBNQDDS-YESZJQIVSA-N 2 2 369.473 0.992 20 0 FCADLP CC[C@H](C(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576522491 1273410426 /nfs/dbraw/zinc/41/04/26/1273410426.db2.gz WAVOQDJSPAKXHY-DYVFJYSZSA-N 2 2 358.450 0.687 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCC(OCCC[NH2+]Cc3c[nH]nn3)CC2)CCC1 ZINC001576748547 1273619981 /nfs/dbraw/zinc/61/99/81/1273619981.db2.gz YPWOSCMGSDLZKO-UHFFFAOYSA-N 2 2 364.494 0.776 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCC(OCCC[NH2+]Cc3cn[nH]n3)CC2)CCC1 ZINC001576748547 1273619988 /nfs/dbraw/zinc/61/99/88/1273619988.db2.gz YPWOSCMGSDLZKO-UHFFFAOYSA-N 2 2 364.494 0.776 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C ZINC001576808183 1273720317 /nfs/dbraw/zinc/72/03/17/1273720317.db2.gz ZYEADQLSERCDEX-KGLIPLIRSA-N 2 2 358.483 0.408 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN(CC[NH3+])C(=O)OC(C)(C)C ZINC001576808183 1273720325 /nfs/dbraw/zinc/72/03/25/1273720325.db2.gz ZYEADQLSERCDEX-KGLIPLIRSA-N 2 2 358.483 0.408 20 0 FCADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3=NOC4(C[NH2+]C4)C3)c2)CCO1 ZINC001576808798 1273721340 /nfs/dbraw/zinc/72/13/40/1273721340.db2.gz JJPGHHDYUGBHHJ-AWEZNQCLSA-N 2 2 358.442 0.642 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3=NOC4(C[NH2+]C4)C3)c2)CCO1 ZINC001576808798 1273721349 /nfs/dbraw/zinc/72/13/49/1273721349.db2.gz JJPGHHDYUGBHHJ-AWEZNQCLSA-N 2 2 358.442 0.642 20 0 FCADLP CC[C@H](CNC(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576818095 1273740292 /nfs/dbraw/zinc/74/02/92/1273740292.db2.gz XZLOKPXBNDONGH-CYBMUJFWSA-N 2 2 369.433 0.667 20 0 FCADLP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576822702 1273743090 /nfs/dbraw/zinc/74/30/90/1273743090.db2.gz JWFOIPULSGONJO-AWEZNQCLSA-N 2 2 372.477 0.722 20 0 FCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576835654 1273766523 /nfs/dbraw/zinc/76/65/23/1273766523.db2.gz FOOMLTVTYLVVPL-CYBMUJFWSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1[NH3+] ZINC001576837811 1273774512 /nfs/dbraw/zinc/77/45/12/1273774512.db2.gz LXTNRKRUYZQQGJ-QKPAOTATSA-N 2 2 364.494 0.286 20 0 FCADLP C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1[NH3+] ZINC001576837811 1273774519 /nfs/dbraw/zinc/77/45/19/1273774519.db2.gz LXTNRKRUYZQQGJ-QKPAOTATSA-N 2 2 364.494 0.286 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001576855200 1273807925 /nfs/dbraw/zinc/80/79/25/1273807925.db2.gz SOVQGOCXLCEWQF-PVAVHDDUSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001576855200 1273807933 /nfs/dbraw/zinc/80/79/33/1273807933.db2.gz SOVQGOCXLCEWQF-PVAVHDDUSA-N 2 2 354.495 0.635 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC001577166119 1274212856 /nfs/dbraw/zinc/21/28/56/1274212856.db2.gz SIWLPYHSEUBCBN-ZIAGYGMSSA-N 2 2 360.466 0.061 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC001577166119 1274212865 /nfs/dbraw/zinc/21/28/65/1274212865.db2.gz SIWLPYHSEUBCBN-ZIAGYGMSSA-N 2 2 360.466 0.061 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001577557030 1274499475 /nfs/dbraw/zinc/49/94/75/1274499475.db2.gz OUJIJCCZLMDMLU-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001577557030 1274499478 /nfs/dbraw/zinc/49/94/78/1274499478.db2.gz OUJIJCCZLMDMLU-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001577556804 1274499555 /nfs/dbraw/zinc/49/95/55/1274499555.db2.gz IEOQLQPPAGIBJH-OKILXGFUSA-N 2 2 370.461 0.498 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001577556804 1274499559 /nfs/dbraw/zinc/49/95/59/1274499559.db2.gz IEOQLQPPAGIBJH-OKILXGFUSA-N 2 2 370.461 0.498 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577559322 1274505465 /nfs/dbraw/zinc/50/54/65/1274505465.db2.gz WSYDBUWVAQZVSV-QGZVFWFLSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577559322 1274505469 /nfs/dbraw/zinc/50/54/69/1274505469.db2.gz WSYDBUWVAQZVSV-QGZVFWFLSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577565366 1274519749 /nfs/dbraw/zinc/51/97/49/1274519749.db2.gz RYHKPIWDFOMSOS-INWMFGNUSA-N 2 2 370.461 0.829 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577565366 1274519753 /nfs/dbraw/zinc/51/97/53/1274519753.db2.gz RYHKPIWDFOMSOS-INWMFGNUSA-N 2 2 370.461 0.829 20 0 FCADLP CCCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577594511 1274559766 /nfs/dbraw/zinc/55/97/66/1274559766.db2.gz GQSJUSRAZIOTRX-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP CCCN(CCNC(=O)[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577594511 1274559769 /nfs/dbraw/zinc/55/97/69/1274559769.db2.gz GQSJUSRAZIOTRX-OAHLLOKOSA-N 2 2 358.450 0.689 20 0 FCADLP CCCN(CCNC(=O)Cn1cc[nH+]c1)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001577613047 1274589330 /nfs/dbraw/zinc/58/93/30/1274589330.db2.gz PVKQRNMUELIRIE-UHFFFAOYSA-N 2 2 369.433 0.799 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577882693 1275082135 /nfs/dbraw/zinc/08/21/35/1275082135.db2.gz KCDYCWWKWBWHRC-CYBMUJFWSA-N 2 2 358.450 0.641 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001577891842 1275101055 /nfs/dbraw/zinc/10/10/55/1275101055.db2.gz HMHKPZLYZWZNME-OAHLLOKOSA-N 2 2 372.477 0.935 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001577896057 1275107301 /nfs/dbraw/zinc/10/73/01/1275107301.db2.gz ZZAUZBGOSUTQKK-ZIAGYGMSSA-N 2 2 372.477 0.792 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577898778 1275109662 /nfs/dbraw/zinc/10/96/62/1275109662.db2.gz HVQLDBQJZLRYDG-ZDUSSCGKSA-N 2 2 358.450 0.689 20 0 FCADLP CCN(CCNC(=O)C[N@H+](C)C1CCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578004465 1275266371 /nfs/dbraw/zinc/26/63/71/1275266371.db2.gz HPOFEFTXRJDRAZ-UHFFFAOYSA-N 2 2 358.450 0.689 20 0 FCADLP CCN(CCNC(=O)C[N@@H+](C)C1CCC1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578004465 1275266375 /nfs/dbraw/zinc/26/63/75/1275266375.db2.gz HPOFEFTXRJDRAZ-UHFFFAOYSA-N 2 2 358.450 0.689 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578036833 1275315906 /nfs/dbraw/zinc/31/59/06/1275315906.db2.gz BVKUCXOSCNYMKK-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001578036833 1275315917 /nfs/dbraw/zinc/31/59/17/1275315917.db2.gz BVKUCXOSCNYMKK-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CCN(CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001578107865 1275411490 /nfs/dbraw/zinc/41/14/90/1275411490.db2.gz UUVDFITXZOLYHT-UHFFFAOYSA-N 2 2 354.418 0.771 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1CCC[NH3+] ZINC001578474384 1275885463 /nfs/dbraw/zinc/88/54/63/1275885463.db2.gz WNKJZDDANMSBCA-UHFFFAOYSA-N 2 2 359.478 0.381 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578887009 1276422446 /nfs/dbraw/zinc/42/24/46/1276422446.db2.gz PEESIOGRKCURFM-UHFFFAOYSA-N 2 2 366.429 0.842 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001578975796 1276525837 /nfs/dbraw/zinc/52/58/37/1276525837.db2.gz IXMMYDGUIHTVFJ-RYUDHWBXSA-N 2 2 361.475 0.665 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001578975796 1276525843 /nfs/dbraw/zinc/52/58/43/1276525843.db2.gz IXMMYDGUIHTVFJ-RYUDHWBXSA-N 2 2 361.475 0.665 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001578980345 1276540412 /nfs/dbraw/zinc/54/04/12/1276540412.db2.gz HINIRFRKYCAOTD-HNNXBMFYSA-N 2 2 373.461 0.135 20 0 FCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001578980345 1276540418 /nfs/dbraw/zinc/54/04/18/1276540418.db2.gz HINIRFRKYCAOTD-HNNXBMFYSA-N 2 2 373.461 0.135 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001579006110 1276577134 /nfs/dbraw/zinc/57/71/34/1276577134.db2.gz NUKFLDZMXOUSQG-KBPBESRZSA-N 2 2 368.445 0.536 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)C1CCC1 ZINC001579006110 1276577141 /nfs/dbraw/zinc/57/71/41/1276577141.db2.gz NUKFLDZMXOUSQG-KBPBESRZSA-N 2 2 368.445 0.536 20 0 FCADLP C[N@H+](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013833 1276588216 /nfs/dbraw/zinc/58/82/16/1276588216.db2.gz FYLGEHBDBCMMFS-ZDUSSCGKSA-N 2 2 370.461 0.689 20 0 FCADLP C[N@@H+](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579013833 1276588223 /nfs/dbraw/zinc/58/82/23/1276588223.db2.gz FYLGEHBDBCMMFS-ZDUSSCGKSA-N 2 2 370.461 0.689 20 0 FCADLP CN(CC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579134243 1276831826 /nfs/dbraw/zinc/83/18/26/1276831826.db2.gz PEDFBLDNWUWPSI-UHFFFAOYSA-N 2 2 372.408 0.862 20 0 FCADLP CN(CC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579134243 1276831844 /nfs/dbraw/zinc/83/18/44/1276831844.db2.gz PEDFBLDNWUWPSI-UHFFFAOYSA-N 2 2 372.408 0.862 20 0 FCADLP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169958 1276922865 /nfs/dbraw/zinc/92/28/65/1276922865.db2.gz VNPYRBBJHJVHQB-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169958 1276922873 /nfs/dbraw/zinc/92/28/73/1276922873.db2.gz VNPYRBBJHJVHQB-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169958 1276922878 /nfs/dbraw/zinc/92/28/78/1276922878.db2.gz VNPYRBBJHJVHQB-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001579169958 1276922884 /nfs/dbraw/zinc/92/28/84/1276922884.db2.gz VNPYRBBJHJVHQB-CYBMUJFWSA-N 2 2 363.491 0.961 20 0 FCADLP CN(CCNC(=O)CCc1c[nH+]cn1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579180319 1276944617 /nfs/dbraw/zinc/94/46/17/1276944617.db2.gz ITALRIPVEFJZOK-UHFFFAOYSA-N 2 2 355.406 0.180 20 0 FCADLP CN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001579214384 1277008781 /nfs/dbraw/zinc/00/87/81/1277008781.db2.gz ATGBEBPVLUVXJK-GFCCVEGCSA-N 2 2 367.417 0.013 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335414 1277176898 /nfs/dbraw/zinc/17/68/98/1277176898.db2.gz QMVREIAFPPJCGA-IUODEOHRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335414 1277176899 /nfs/dbraw/zinc/17/68/99/1277176899.db2.gz QMVREIAFPPJCGA-IUODEOHRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335414 1277176904 /nfs/dbraw/zinc/17/69/04/1277176904.db2.gz QMVREIAFPPJCGA-IUODEOHRSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335414 1277176908 /nfs/dbraw/zinc/17/69/08/1277176908.db2.gz QMVREIAFPPJCGA-IUODEOHRSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353149 1277212014 /nfs/dbraw/zinc/21/20/14/1277212014.db2.gz FDIBJRUYCUINHW-DVOMOZLQSA-N 2 2 368.445 0.536 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579353149 1277212016 /nfs/dbraw/zinc/21/20/16/1277212016.db2.gz FDIBJRUYCUINHW-DVOMOZLQSA-N 2 2 368.445 0.536 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355551 1277218986 /nfs/dbraw/zinc/21/89/86/1277218986.db2.gz DWHQMHUSINDXAS-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355551 1277218990 /nfs/dbraw/zinc/21/89/90/1277218990.db2.gz DWHQMHUSINDXAS-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355551 1277219009 /nfs/dbraw/zinc/21/90/09/1277219009.db2.gz DWHQMHUSINDXAS-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355551 1277219010 /nfs/dbraw/zinc/21/90/10/1277219010.db2.gz DWHQMHUSINDXAS-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356775 1277222914 /nfs/dbraw/zinc/22/29/14/1277222914.db2.gz NAEKZKPHNBRJCA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356775 1277222915 /nfs/dbraw/zinc/22/29/15/1277222915.db2.gz NAEKZKPHNBRJCA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356775 1277222917 /nfs/dbraw/zinc/22/29/17/1277222917.db2.gz NAEKZKPHNBRJCA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001579356775 1277222919 /nfs/dbraw/zinc/22/29/19/1277222919.db2.gz NAEKZKPHNBRJCA-ZBFHGGJFSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579357432 1277225327 /nfs/dbraw/zinc/22/53/27/1277225327.db2.gz WSLOTKRLHHJKBC-HNNXBMFYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NC1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579357432 1277225333 /nfs/dbraw/zinc/22/53/33/1277225333.db2.gz WSLOTKRLHHJKBC-HNNXBMFYSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579358357 1277227147 /nfs/dbraw/zinc/22/71/47/1277227147.db2.gz CLJCKQORWLPCSD-ZDUSSCGKSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579358357 1277227149 /nfs/dbraw/zinc/22/71/49/1277227149.db2.gz CLJCKQORWLPCSD-ZDUSSCGKSA-N 2 2 361.475 0.570 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579359679 1277233189 /nfs/dbraw/zinc/23/31/89/1277233189.db2.gz ZQNOVEJDGAXPDY-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579359679 1277233192 /nfs/dbraw/zinc/23/31/92/1277233192.db2.gz ZQNOVEJDGAXPDY-MRXNPFEDSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360988 1277234836 /nfs/dbraw/zinc/23/48/36/1277234836.db2.gz LJBNEQSUGFXLIO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360988 1277234840 /nfs/dbraw/zinc/23/48/40/1277234840.db2.gz LJBNEQSUGFXLIO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360988 1277234846 /nfs/dbraw/zinc/23/48/46/1277234846.db2.gz LJBNEQSUGFXLIO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001579360988 1277234851 /nfs/dbraw/zinc/23/48/51/1277234851.db2.gz LJBNEQSUGFXLIO-BBRMVZONSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366147 1277244727 /nfs/dbraw/zinc/24/47/27/1277244727.db2.gz OQCBIXLFMNDTTG-HZPDHXFCSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366147 1277244731 /nfs/dbraw/zinc/24/47/31/1277244731.db2.gz OQCBIXLFMNDTTG-HZPDHXFCSA-N 2 2 370.461 0.475 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](CC2(CS(C)(=O)=O)CC2)C2CC2)CC[N@@H+]1C ZINC001713557596 1287284423 /nfs/dbraw/zinc/28/44/23/1287284423.db2.gz TVKFPMBXYSMBBB-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](CC2(CS(C)(=O)=O)CC2)C2CC2)CC[N@H+]1C ZINC001713557596 1287284426 /nfs/dbraw/zinc/28/44/26/1287284426.db2.gz TVKFPMBXYSMBBB-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](CC2(CS(C)(=O)=O)CC2)C2CC2)CC[NH+]1C ZINC001713557596 1287284432 /nfs/dbraw/zinc/28/44/32/1287284432.db2.gz TVKFPMBXYSMBBB-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C2CC2)CC[NH+]1C ZINC001713557596 1287284434 /nfs/dbraw/zinc/28/44/34/1287284434.db2.gz TVKFPMBXYSMBBB-GDBMZVCRSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCc1c[nH+]cn1C ZINC001580277783 1278075420 /nfs/dbraw/zinc/07/54/20/1278075420.db2.gz VLQNGNSKYPRQQB-NSHDSACASA-N 2 2 374.474 0.889 20 0 FCADLP O=S(=O)(C1C[NH+](C[C@H]2CCCC23CCOCC3)C1)N1CC[NH2+]CC1 ZINC001580860789 1279055925 /nfs/dbraw/zinc/05/59/25/1279055925.db2.gz MATDJEDMHIGYSH-OAHLLOKOSA-N 2 2 357.520 0.503 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580941959 1279149497 /nfs/dbraw/zinc/14/94/97/1279149497.db2.gz VHCVYULTOUUZMY-NSHDSACASA-N 2 2 369.433 0.785 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580941892 1279149757 /nfs/dbraw/zinc/14/97/57/1279149757.db2.gz UOJGZYYGLNTPLI-LBPRGKRZSA-N 2 2 369.433 0.716 20 0 FCADLP Cc1cc(N[C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987221 1279183934 /nfs/dbraw/zinc/18/39/34/1279183934.db2.gz ACJLLUUEXBSNKO-OLZOCXBDSA-N 2 2 369.433 0.584 20 0 FCADLP Cc1cc(N[C@@H](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987263 1279183998 /nfs/dbraw/zinc/18/39/98/1279183998.db2.gz HTMCLWXVYSGWEU-NWDGAFQWSA-N 2 2 369.433 0.653 20 0 FCADLP Cc1cc(N[C@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580989084 1279190520 /nfs/dbraw/zinc/19/05/20/1279190520.db2.gz MKMVUOGAMBXGDK-VXGBXAGGSA-N 2 2 369.433 0.273 20 0 FCADLP Cc1cc(N[C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580994240 1279202013 /nfs/dbraw/zinc/20/20/13/1279202013.db2.gz SMIDKEJGFYKXCO-OAHLLOKOSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1cc(N[C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580995039 1279204524 /nfs/dbraw/zinc/20/45/24/1279204524.db2.gz WDNKZJLIPKNTDU-LLVKDONJSA-N 2 2 355.406 0.217 20 0 FCADLP Cc1cc(NC[C@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581011672 1279238316 /nfs/dbraw/zinc/23/83/16/1279238316.db2.gz MUNOJKYVWBFPES-NSHDSACASA-N 2 2 355.406 0.217 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581025854 1279257666 /nfs/dbraw/zinc/25/76/66/1279257666.db2.gz HDGLJEHNBPIFQW-JTQLQIEISA-N 2 2 369.433 0.573 20 0 FCADLP Cc1cc(N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581038466 1279274869 /nfs/dbraw/zinc/27/48/69/1279274869.db2.gz MWRMRZKVAWMLIJ-PHIMTYICSA-N 2 2 353.390 0.017 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001715233311 1287347666 /nfs/dbraw/zinc/34/76/66/1287347666.db2.gz SMSPMDUTYLZQIE-GZBFAFLISA-N 2 2 360.462 0.205 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001715233311 1287347669 /nfs/dbraw/zinc/34/76/69/1287347669.db2.gz SMSPMDUTYLZQIE-GZBFAFLISA-N 2 2 360.462 0.205 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581339217 1279719910 /nfs/dbraw/zinc/71/99/10/1279719910.db2.gz BVZODKOSKAGQHE-OAHLLOKOSA-N 2 2 367.417 0.195 20 0 FCADLP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001603458607 1287378381 /nfs/dbraw/zinc/37/83/81/1287378381.db2.gz PGUCSLIFLBTDPW-VXGBXAGGSA-N 2 2 369.433 0.355 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581564521 1280142575 /nfs/dbraw/zinc/14/25/75/1280142575.db2.gz ZLUXDOVSDMIQGJ-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001581564521 1280142580 /nfs/dbraw/zinc/14/25/80/1280142580.db2.gz ZLUXDOVSDMIQGJ-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001581564415 1280142624 /nfs/dbraw/zinc/14/26/24/1280142624.db2.gz QPKNWBIGVVTXGM-HNNXBMFYSA-N 2 2 367.417 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581565487 1280144742 /nfs/dbraw/zinc/14/47/42/1280144742.db2.gz UIQAFIMHNTZNMZ-OAHLLOKOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581565487 1280144747 /nfs/dbraw/zinc/14/47/47/1280144747.db2.gz UIQAFIMHNTZNMZ-OAHLLOKOSA-N 2 2 366.429 0.762 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001581815803 1280560901 /nfs/dbraw/zinc/56/09/01/1280560901.db2.gz KQUUMGDYUQKQPD-UHFFFAOYSA-N 2 2 366.429 0.581 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582089243 1281044922 /nfs/dbraw/zinc/04/49/22/1281044922.db2.gz ZMZMRDJNAOZQKW-CYBMUJFWSA-N 2 2 367.417 0.373 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582089907 1281046761 /nfs/dbraw/zinc/04/67/61/1281046761.db2.gz DVKYRQFRTPGXOJ-UHFFFAOYSA-N 2 2 366.429 0.702 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582090652 1281047370 /nfs/dbraw/zinc/04/73/70/1281047370.db2.gz ZGIMLTYNURJBGM-IYBDPMFKSA-N 2 2 366.429 0.890 20 0 FCADLP O=C(C[NH+]1CCCC1)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099345 1281055693 /nfs/dbraw/zinc/05/56/93/1281055693.db2.gz PNRHVMSXBPDQMT-UHFFFAOYSA-N 2 2 356.434 0.086 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582099541 1281055780 /nfs/dbraw/zinc/05/57/80/1281055780.db2.gz UQNSUPFKVNFLJP-HIFRSBDPSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099351 1281055902 /nfs/dbraw/zinc/05/59/02/1281055902.db2.gz PQUFCNZXSKWRFT-ZIAGYGMSSA-N 2 2 370.461 0.619 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099426 1281055980 /nfs/dbraw/zinc/05/59/80/1281055980.db2.gz RGEUKBQQOMMGCW-AWEZNQCLSA-N 2 2 370.461 0.690 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582100827 1281057961 /nfs/dbraw/zinc/05/79/61/1281057961.db2.gz QKVRCVOXHWUSJR-GFCCVEGCSA-N 2 2 361.475 0.715 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582100827 1281057965 /nfs/dbraw/zinc/05/79/65/1281057965.db2.gz QKVRCVOXHWUSJR-GFCCVEGCSA-N 2 2 361.475 0.715 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC001582169879 1281137339 /nfs/dbraw/zinc/13/73/39/1281137339.db2.gz HNFAPXXKELGRNU-UHFFFAOYSA-N 2 2 366.429 0.961 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582182966 1281159153 /nfs/dbraw/zinc/15/91/53/1281159153.db2.gz NDBNQHOIDIERFE-OAHLLOKOSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582183673 1281161854 /nfs/dbraw/zinc/16/18/54/1281161854.db2.gz BRLVXHAATIDSHL-MQMHXKEQSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCC1 ZINC001582183493 1281162629 /nfs/dbraw/zinc/16/26/29/1281162629.db2.gz WELBLWPTTMIRSL-UHFFFAOYSA-N 2 2 366.429 0.961 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582195245 1281174932 /nfs/dbraw/zinc/17/49/32/1281174932.db2.gz QIGGDDQQLBQGIR-ZDUSSCGKSA-N 2 2 367.417 0.231 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582194886 1281175633 /nfs/dbraw/zinc/17/56/33/1281175633.db2.gz ATLFXYCOIUAXDK-LBPRGKRZSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582196739 1281178732 /nfs/dbraw/zinc/17/87/32/1281178732.db2.gz SQUSYQAHTPZPBY-MRXNPFEDSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582196818 1281178821 /nfs/dbraw/zinc/17/88/21/1281178821.db2.gz VRGXPIUZYNOIFU-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582197186 1281180899 /nfs/dbraw/zinc/18/08/99/1281180899.db2.gz HNIJHQAOBNUJDR-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C1CC1 ZINC001582197186 1281180903 /nfs/dbraw/zinc/18/09/03/1281180903.db2.gz HNIJHQAOBNUJDR-UHFFFAOYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582197283 1281180918 /nfs/dbraw/zinc/18/09/18/1281180918.db2.gz KNAIIOGJYQPUIE-KOMQPUFPSA-N 2 2 366.429 0.748 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197715 1281182042 /nfs/dbraw/zinc/18/20/42/1281182042.db2.gz WWCITRPMLPTMHO-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001582197715 1281182044 /nfs/dbraw/zinc/18/20/44/1281182044.db2.gz WWCITRPMLPTMHO-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)NCC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582197787 1281182617 /nfs/dbraw/zinc/18/26/17/1281182617.db2.gz YXCQJFSZZASCCO-UHFFFAOYSA-N 2 2 367.417 0.491 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001638122234 1282660857 /nfs/dbraw/zinc/66/08/57/1282660857.db2.gz MBJBNXZNSHSAJV-HZPDHXFCSA-N 2 2 365.478 0.056 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001638122234 1282660867 /nfs/dbraw/zinc/66/08/67/1282660867.db2.gz MBJBNXZNSHSAJV-HZPDHXFCSA-N 2 2 365.478 0.056 20 0 FCADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)CC1 ZINC001604345554 1287609628 /nfs/dbraw/zinc/60/96/28/1287609628.db2.gz SQACGRVWMWEIOE-LBPRGKRZSA-N 2 2 350.496 0.686 20 0 FCADLP C[C@H](CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001589827910 1283067002 /nfs/dbraw/zinc/06/70/02/1283067002.db2.gz IEPGAJORYXRMTP-GFCCVEGCSA-N 2 2 354.418 0.817 20 0 FCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001589848669 1283081740 /nfs/dbraw/zinc/08/17/40/1283081740.db2.gz USRNZJFRRKHBTO-ZDUSSCGKSA-N 2 2 358.450 0.289 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(-c2nn[nH]n2)ccn1 ZINC001589954739 1283146519 /nfs/dbraw/zinc/14/65/19/1283146519.db2.gz ICHQBXNPLOPLMR-ZBFHGGJFSA-N 2 2 372.477 0.319 20 0 FCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590199358 1283312581 /nfs/dbraw/zinc/31/25/81/1283312581.db2.gz QRRRKBBJIOGZLV-STQMWFEESA-N 2 2 367.417 0.632 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001590268838 1283392334 /nfs/dbraw/zinc/39/23/34/1283392334.db2.gz GMSFABITQRMWNQ-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC001590268838 1283392340 /nfs/dbraw/zinc/39/23/40/1283392340.db2.gz GMSFABITQRMWNQ-HNNXBMFYSA-N 2 2 369.473 0.853 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)[N@H+]1C ZINC001684022789 1284140602 /nfs/dbraw/zinc/14/06/02/1284140602.db2.gz UPTZYALGRUSAKM-OKILXGFUSA-N 2 2 360.524 0.229 20 0 FCADLP C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C)[N@@H+]1C ZINC001684022789 1284140606 /nfs/dbraw/zinc/14/06/06/1284140606.db2.gz UPTZYALGRUSAKM-OKILXGFUSA-N 2 2 360.524 0.229 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001591189778 1284305217 /nfs/dbraw/zinc/30/52/17/1284305217.db2.gz QMGADTIYZGBNJG-UHFFFAOYSA-N 2 2 356.434 0.252 20 0 FCADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649793 1287710334 /nfs/dbraw/zinc/71/03/34/1287710334.db2.gz XSOIPWTZRALAMP-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001604649793 1287710343 /nfs/dbraw/zinc/71/03/43/1287710343.db2.gz XSOIPWTZRALAMP-BBRMVZONSA-N 2 2 370.461 0.783 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001604681306 1287728728 /nfs/dbraw/zinc/72/87/28/1287728728.db2.gz YEDGJFRKSVMPBC-UHFFFAOYSA-N 2 2 359.434 0.194 20 0 FCADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC001604686530 1287732796 /nfs/dbraw/zinc/73/27/96/1287732796.db2.gz QCGFCXDYERRWLA-OAHLLOKOSA-N 2 2 370.417 0.214 20 0 FCADLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1-c1nn[nH]n1 ZINC001591964339 1285030283 /nfs/dbraw/zinc/03/02/83/1285030283.db2.gz XESXDQOAZAUSRB-KRWDZBQOSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1-c1nn[nH]n1 ZINC001591964339 1285030290 /nfs/dbraw/zinc/03/02/90/1285030290.db2.gz XESXDQOAZAUSRB-KRWDZBQOSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1cc(N2CC[NH+](C)CC2)c(-c2nn[nH]n2)c(N2CC[NH+](C)CC2)[nH+]1 ZINC001592007801 1285057871 /nfs/dbraw/zinc/05/78/71/1285057871.db2.gz LVUDXOISKVMOGA-UHFFFAOYSA-N 3 2 357.466 0.074 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001592047380 1285090528 /nfs/dbraw/zinc/09/05/28/1285090528.db2.gz LOZXYZQKQDFZKT-UHFFFAOYSA-N 2 2 369.433 0.527 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001592301755 1285222318 /nfs/dbraw/zinc/22/23/18/1285222318.db2.gz VIRMWSAODFKHQZ-UHFFFAOYSA-N 2 2 358.381 0.417 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001592301623 1285222498 /nfs/dbraw/zinc/22/24/98/1285222498.db2.gz NOUDTBRESIEUPC-UHFFFAOYSA-N 2 2 358.381 0.417 20 0 FCADLP Cc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1-c1nn[nH]n1 ZINC001592340298 1285252170 /nfs/dbraw/zinc/25/21/70/1285252170.db2.gz JYIPRJRPTHAHSW-UHFFFAOYSA-N 2 2 372.477 0.668 20 0 FCADLP Cc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1-c1nn[nH]n1 ZINC001592340298 1285252178 /nfs/dbraw/zinc/25/21/78/1285252178.db2.gz JYIPRJRPTHAHSW-UHFFFAOYSA-N 2 2 372.477 0.668 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001592417392 1285340853 /nfs/dbraw/zinc/34/08/53/1285340853.db2.gz CGICNUZPPGOOLN-UHFFFAOYSA-N 2 2 360.447 0.681 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001592585262 1285509711 /nfs/dbraw/zinc/50/97/11/1285509711.db2.gz YNKADMIKPZVIFP-UHFFFAOYSA-N 2 2 354.418 0.439 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001592589653 1285518928 /nfs/dbraw/zinc/51/89/28/1285518928.db2.gz GZJXVYGPJWVXAM-IHWYPQMZSA-N 2 2 366.429 0.605 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001592589681 1285520380 /nfs/dbraw/zinc/52/03/80/1285520380.db2.gz JWGAOULMWGDDPP-UHFFFAOYSA-N 2 2 358.381 0.188 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001702423453 1285667886 /nfs/dbraw/zinc/66/78/86/1285667886.db2.gz JXKZLMFACRZPGK-RBSFLKMASA-N 2 2 365.453 0.691 20 0 FCADLP O=C(NC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001593034142 1285918141 /nfs/dbraw/zinc/91/81/41/1285918141.db2.gz KVZREBVPNSJGTN-MRXNPFEDSA-N 2 2 370.461 0.446 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NC[C@H]2C[NH2+]CCO2)CC1 ZINC001593548149 1286201980 /nfs/dbraw/zinc/20/19/80/1286201980.db2.gz WORYXFZVTMESQP-QGZVFWFLSA-N 2 2 357.462 0.409 20 0 FCADLP CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001704256135 1286207413 /nfs/dbraw/zinc/20/74/13/1286207413.db2.gz LCGBLEYYSFBVCN-BZUAXINKSA-N 2 2 359.474 0.440 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001704887293 1286316370 /nfs/dbraw/zinc/31/63/70/1286316370.db2.gz KUJGWNASQFQILF-BZUAXINKSA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001704887293 1286316381 /nfs/dbraw/zinc/31/63/81/1286316381.db2.gz KUJGWNASQFQILF-BZUAXINKSA-N 2 2 361.490 0.703 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606546056 1288374601 /nfs/dbraw/zinc/37/46/01/1288374601.db2.gz UNXWIYMDXUVGIN-UONOGXRCSA-N 2 2 370.461 0.476 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001606546055 1288376286 /nfs/dbraw/zinc/37/62/86/1288376286.db2.gz UNXWIYMDXUVGIN-KGLIPLIRSA-N 2 2 370.461 0.476 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001722102675 1288405837 /nfs/dbraw/zinc/40/58/37/1288405837.db2.gz HCDZQAPDNVSSEW-OAGGEKHMSA-N 2 2 371.485 0.630 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CCCC1 ZINC001732398598 1288583451 /nfs/dbraw/zinc/58/34/51/1288583451.db2.gz ZLVOPROETLKRAH-KFWWJZLASA-N 2 2 359.474 0.773 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001692064661 1289383861 /nfs/dbraw/zinc/38/38/61/1289383861.db2.gz UYZMJZYOWDNYIO-HLLBOEOZSA-N 2 2 366.485 0.775 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001692064661 1289383870 /nfs/dbraw/zinc/38/38/70/1289383870.db2.gz UYZMJZYOWDNYIO-HLLBOEOZSA-N 2 2 366.485 0.775 20 0 FCADLP CN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001692087084 1289395884 /nfs/dbraw/zinc/39/58/84/1289395884.db2.gz YFPSHGWMIWCMEI-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP CN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)CCCn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001692087084 1289395896 /nfs/dbraw/zinc/39/58/96/1289395896.db2.gz YFPSHGWMIWCMEI-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001692213778 1289428042 /nfs/dbraw/zinc/42/80/42/1289428042.db2.gz AMZUFXOQKINRIR-WBVHZDCISA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001692213778 1289428043 /nfs/dbraw/zinc/42/80/43/1289428043.db2.gz AMZUFXOQKINRIR-WBVHZDCISA-N 2 2 350.507 0.824 20 0 FCADLP CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001692277997 1289441206 /nfs/dbraw/zinc/44/12/06/1289441206.db2.gz SZNIDMFXULUJPB-CVEARBPZSA-N 2 2 363.510 0.705 20 0 FCADLP CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001692277997 1289441210 /nfs/dbraw/zinc/44/12/10/1289441210.db2.gz SZNIDMFXULUJPB-CVEARBPZSA-N 2 2 363.510 0.705 20 0 FCADLP CCN(C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001698845242 1289536954 /nfs/dbraw/zinc/53/69/54/1289536954.db2.gz JCAHFPIOTCKWPR-NUEKZKHPSA-N 2 2 361.490 0.971 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCCC[C@H]1CC[NH2+]CCO ZINC001698920704 1289538978 /nfs/dbraw/zinc/53/89/78/1289538978.db2.gz CZHPETNGDYHICD-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001699371891 1289551272 /nfs/dbraw/zinc/55/12/72/1289551272.db2.gz DXZWNPAFMAPKBS-FMKPAKJESA-N 2 2 368.503 0.617 20 0 FCADLP CCn1nnc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001699311031 1289551298 /nfs/dbraw/zinc/55/12/98/1289551298.db2.gz LNDRFPNPDMNGRV-JBZXTQMFSA-N 2 2 357.462 0.906 20 0 FCADLP CC(C)n1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699899211 1289572942 /nfs/dbraw/zinc/57/29/42/1289572942.db2.gz VGRGEKYFZHUFTG-SZVBFZGTSA-N 2 2 363.506 0.857 20 0 FCADLP CC(C)n1ccc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001699899211 1289572947 /nfs/dbraw/zinc/57/29/47/1289572947.db2.gz VGRGEKYFZHUFTG-SZVBFZGTSA-N 2 2 363.506 0.857 20 0 FCADLP CC(C)n1ccc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001699899211 1289572954 /nfs/dbraw/zinc/57/29/54/1289572954.db2.gz VGRGEKYFZHUFTG-SZVBFZGTSA-N 2 2 363.506 0.857 20 0 FCADLP CC(C)n1ccc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001699899211 1289572961 /nfs/dbraw/zinc/57/29/61/1289572961.db2.gz VGRGEKYFZHUFTG-SZVBFZGTSA-N 2 2 363.506 0.857 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O)CC(C)(C)C ZINC001702213743 1289880886 /nfs/dbraw/zinc/88/08/86/1289880886.db2.gz SOZJNBBYYODSEG-ZIAGYGMSSA-N 2 2 365.478 0.008 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O)CC(C)(C)C ZINC001702213743 1289880905 /nfs/dbraw/zinc/88/09/05/1289880905.db2.gz SOZJNBBYYODSEG-ZIAGYGMSSA-N 2 2 365.478 0.008 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001739381858 1289884793 /nfs/dbraw/zinc/88/47/93/1289884793.db2.gz NBQYFDPVWMRKST-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001739381858 1289884804 /nfs/dbraw/zinc/88/48/04/1289884804.db2.gz NBQYFDPVWMRKST-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001622481835 1290138301 /nfs/dbraw/zinc/13/83/01/1290138301.db2.gz FDPYULKRCQMGNH-KRWDZBQOSA-N 2 2 352.504 0.651 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC001622481835 1290138304 /nfs/dbraw/zinc/13/83/04/1290138304.db2.gz FDPYULKRCQMGNH-KRWDZBQOSA-N 2 2 352.504 0.651 20 0 FCADLP CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001628813497 1290556660 /nfs/dbraw/zinc/55/66/60/1290556660.db2.gz AYTUDRLRGVWDJX-CYBMUJFWSA-N 2 2 358.446 0.904 20 0 FCADLP CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001628813497 1290556663 /nfs/dbraw/zinc/55/66/63/1290556663.db2.gz AYTUDRLRGVWDJX-CYBMUJFWSA-N 2 2 358.446 0.904 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001753049537 1290618900 /nfs/dbraw/zinc/61/89/00/1290618900.db2.gz GZXAJUGZJPRXEM-DLBZAZTESA-N 2 2 361.490 0.476 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NCc2cccnc2)CC[N@H+]1C ZINC001753049537 1290618904 /nfs/dbraw/zinc/61/89/04/1290618904.db2.gz GZXAJUGZJPRXEM-DLBZAZTESA-N 2 2 361.490 0.476 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001753049537 1290618910 /nfs/dbraw/zinc/61/89/10/1290618910.db2.gz GZXAJUGZJPRXEM-DLBZAZTESA-N 2 2 361.490 0.476 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCc2cccnc2)CC[NH+]1C ZINC001753049537 1290618915 /nfs/dbraw/zinc/61/89/15/1290618915.db2.gz GZXAJUGZJPRXEM-DLBZAZTESA-N 2 2 361.490 0.476 20 0 FCADLP CC(C)COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754757597 1290633019 /nfs/dbraw/zinc/63/30/19/1290633019.db2.gz NUDSITJWFFRDNR-GPMSIDNRSA-N 2 2 364.490 0.749 20 0 FCADLP CC(C)COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754757597 1290633029 /nfs/dbraw/zinc/63/30/29/1290633029.db2.gz NUDSITJWFFRDNR-GPMSIDNRSA-N 2 2 364.490 0.749 20 0 FCADLP O=C(CC[NH2+][C@H](CO)[C@@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001653888503 1291377195 /nfs/dbraw/zinc/37/71/95/1291377195.db2.gz SJHMULKECQLRJG-IAGOWNOFSA-N 2 2 362.474 0.497 20 0 FCADLP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC001654558544 1291417990 /nfs/dbraw/zinc/41/79/90/1291417990.db2.gz QFDMMJZSFVNDSW-DOTOQJQBSA-N 2 2 352.504 0.731 20 0 FCADLP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001654558544 1291417993 /nfs/dbraw/zinc/41/79/93/1291417993.db2.gz QFDMMJZSFVNDSW-DOTOQJQBSA-N 2 2 352.504 0.731 20 0 FCADLP C[S@@](=O)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001656449375 1291524683 /nfs/dbraw/zinc/52/46/83/1291524683.db2.gz HBDVDUGOSCOXTN-BXKMTCNYSA-N 2 2 351.516 0.920 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC001672406727 1292080739 /nfs/dbraw/zinc/08/07/39/1292080739.db2.gz XMXKXKKHGRMULU-HUUCEWRRSA-N 2 2 350.467 0.772 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001685091484 1292424057 /nfs/dbraw/zinc/42/40/57/1292424057.db2.gz HSZIJQPCAXWXKI-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001685091484 1292424062 /nfs/dbraw/zinc/42/40/62/1292424062.db2.gz HSZIJQPCAXWXKI-CVEARBPZSA-N 2 2 361.490 0.611 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001685109407 1292431640 /nfs/dbraw/zinc/43/16/40/1292431640.db2.gz WOKIRFXEDQWUPQ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001685109407 1292431644 /nfs/dbraw/zinc/43/16/44/1292431644.db2.gz WOKIRFXEDQWUPQ-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@@H+]1C ZINC001688565973 1294510052 /nfs/dbraw/zinc/51/00/52/1294510052.db2.gz HZEFDFHBIRVMQL-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)CCc3[nH]cc[nH+]3)C2)CC[N@H+]1C ZINC001688565973 1294510058 /nfs/dbraw/zinc/51/00/58/1294510058.db2.gz HZEFDFHBIRVMQL-OWCLPIDISA-N 2 2 361.490 0.989 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001688644258 1294516119 /nfs/dbraw/zinc/51/61/19/1294516119.db2.gz AIBRIZGSMZRELN-HZPDHXFCSA-N 2 2 359.474 0.727 20 0 FCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001688986550 1294560561 /nfs/dbraw/zinc/56/05/61/1294560561.db2.gz RAYIPLCYNHENGX-IMJJTQAJSA-N 2 2 360.458 0.786 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)Nc1nncs1 ZINC001689010964 1294566105 /nfs/dbraw/zinc/56/61/05/1294566105.db2.gz XLEQNHFRHDMBLL-WDEREUQCSA-N 2 2 363.447 0.317 20 0 FCADLP C[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)CS(C)(=O)=O ZINC001689010394 1294566573 /nfs/dbraw/zinc/56/65/73/1294566573.db2.gz NLYWEJHNUPXNFI-HZSPNIEDSA-N 2 2 356.492 0.507 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC(N)=O ZINC001689182932 1294652145 /nfs/dbraw/zinc/65/21/45/1294652145.db2.gz PVVAXOLPWTXVAC-QWHCGFSZSA-N 2 2 353.467 0.025 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC(=O)NC(N)=O ZINC001689182932 1294652156 /nfs/dbraw/zinc/65/21/56/1294652156.db2.gz PVVAXOLPWTXVAC-QWHCGFSZSA-N 2 2 353.467 0.025 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001689228477 1294685324 /nfs/dbraw/zinc/68/53/24/1294685324.db2.gz XLXWVCXZZDPTNI-SJORKVTESA-N 2 2 361.490 0.826 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001689228477 1294685337 /nfs/dbraw/zinc/68/53/37/1294685337.db2.gz XLXWVCXZZDPTNI-SJORKVTESA-N 2 2 361.490 0.826 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001690416464 1294866002 /nfs/dbraw/zinc/86/60/02/1294866002.db2.gz NSTWCIHTOZMQJO-BBWFWOEESA-N 2 2 357.470 0.664 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2cc(=O)c(OC)co2)CC[N@@H+]1C ZINC001690943608 1294892509 /nfs/dbraw/zinc/89/25/09/1294892509.db2.gz MAWXPQBADVTFOB-LSDHHAIUSA-N 2 2 351.447 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2cc(=O)c(OC)co2)CC[N@H+]1C ZINC001690943608 1294892524 /nfs/dbraw/zinc/89/25/24/1294892524.db2.gz MAWXPQBADVTFOB-LSDHHAIUSA-N 2 2 351.447 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)Cc2cc(=O)c(OC)co2)CC[NH+]1C ZINC001690943608 1294892538 /nfs/dbraw/zinc/89/25/38/1294892538.db2.gz MAWXPQBADVTFOB-LSDHHAIUSA-N 2 2 351.447 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)Cc2cc(=O)c(OC)co2)CC[NH+]1C ZINC001690943608 1294892553 /nfs/dbraw/zinc/89/25/53/1294892553.db2.gz MAWXPQBADVTFOB-LSDHHAIUSA-N 2 2 351.447 0.927 20 0 FCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691799572 1294923918 /nfs/dbraw/zinc/92/39/18/1294923918.db2.gz GQWMFBZNFRNBMN-VQHPVUNQSA-N 2 2 357.470 0.710 20 0 FCADLP C[NH+]1CCN(c2cccc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)[nH+]2)CC1 ZINC001164415625 718885239 /nfs/dbraw/zinc/88/52/39/718885239.db2.gz MMBRNOBENAOTOT-UHFFFAOYSA-N 3 2 368.489 0.524 20 0 FCADLP CCOC(=O)c1nc2n(n1)CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164618076 719005176 /nfs/dbraw/zinc/00/51/76/719005176.db2.gz YLAWOTNXFVQBGR-UHFFFAOYSA-N 2 2 371.445 0.622 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(N)cc[nH+]1)C2 ZINC001164824230 720428619 /nfs/dbraw/zinc/42/86/19/720428619.db2.gz KAWWXCUSAUWMAG-OAHLLOKOSA-N 2 2 372.473 0.850 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070260766 837640366 /nfs/dbraw/zinc/64/03/66/837640366.db2.gz PUUSEYWVGLMSHO-KGLIPLIRSA-N 2 2 350.398 0.558 20 0 FCADLP C[C@@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001071090346 837729951 /nfs/dbraw/zinc/72/99/51/837729951.db2.gz KYMZPTCRTMZCHI-LESCRADOSA-N 2 2 350.463 0.812 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071092014 837731268 /nfs/dbraw/zinc/73/12/68/837731268.db2.gz FWTMRDTZXDEDQP-XKQJLSEDSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071092014 837731272 /nfs/dbraw/zinc/73/12/72/837731272.db2.gz FWTMRDTZXDEDQP-XKQJLSEDSA-N 2 2 350.463 0.566 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccns2)C3)O1 ZINC001072849973 837745540 /nfs/dbraw/zinc/74/55/40/837745540.db2.gz PDVOSXSVCZJRNN-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccns2)C3)O1 ZINC001072849973 837745543 /nfs/dbraw/zinc/74/55/43/837745543.db2.gz PDVOSXSVCZJRNN-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2ccns2)C3)O1 ZINC001072849973 837745551 /nfs/dbraw/zinc/74/55/51/837745551.db2.gz PDVOSXSVCZJRNN-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2ccns2)C3)O1 ZINC001072849973 837745558 /nfs/dbraw/zinc/74/55/58/837745558.db2.gz PDVOSXSVCZJRNN-UKRRQHHQSA-N 2 2 350.488 0.897 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341524 844033564 /nfs/dbraw/zinc/03/35/64/844033564.db2.gz IBKAUESFRJIAQW-JHJVBQTASA-N 2 2 359.396 0.851 20 0 FCADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341524 844033572 /nfs/dbraw/zinc/03/35/72/844033572.db2.gz IBKAUESFRJIAQW-JHJVBQTASA-N 2 2 359.396 0.851 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001099348619 844038023 /nfs/dbraw/zinc/03/80/23/844038023.db2.gz KBGMARCTEHYPGF-GRYCIOLGSA-N 2 2 359.352 0.141 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncs3)C2)C1 ZINC001099402970 844042694 /nfs/dbraw/zinc/04/26/94/844042694.db2.gz GMMBERFJFOCFKC-VBQJREDUSA-N 2 2 365.503 0.587 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]Cc3nncs3)C2)C1 ZINC001099402970 844042700 /nfs/dbraw/zinc/04/27/00/844042700.db2.gz GMMBERFJFOCFKC-VBQJREDUSA-N 2 2 365.503 0.587 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000747469675 836246200 /nfs/dbraw/zinc/24/62/00/836246200.db2.gz HUMUENCRQSJNQK-YOEHRIQHSA-N 2 2 356.467 0.334 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(COC)C2=O)C1 ZINC000747469675 836246210 /nfs/dbraw/zinc/24/62/10/836246210.db2.gz HUMUENCRQSJNQK-YOEHRIQHSA-N 2 2 356.467 0.334 20 0 FCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000823806363 836518690 /nfs/dbraw/zinc/51/86/90/836518690.db2.gz TWWHMCPCONQGBO-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000823806363 836518695 /nfs/dbraw/zinc/51/86/95/836518695.db2.gz TWWHMCPCONQGBO-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000823806363 836518703 /nfs/dbraw/zinc/51/87/03/836518703.db2.gz TWWHMCPCONQGBO-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@H]2C1 ZINC000823806363 836518711 /nfs/dbraw/zinc/51/87/11/836518711.db2.gz TWWHMCPCONQGBO-OLZOCXBDSA-N 2 2 352.460 0.156 20 0 FCADLP Cc1noc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101431208 844183907 /nfs/dbraw/zinc/18/39/07/844183907.db2.gz DMEXTHVEQOGIAD-PBHICJAKSA-N 2 2 351.451 0.237 20 0 FCADLP Cc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)n1 ZINC001101431208 844183913 /nfs/dbraw/zinc/18/39/13/844183913.db2.gz DMEXTHVEQOGIAD-PBHICJAKSA-N 2 2 351.451 0.237 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101431591 844184119 /nfs/dbraw/zinc/18/41/19/844184119.db2.gz VKJWIKKIPRVQJL-PBHICJAKSA-N 2 2 351.451 0.237 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)COCC[NH+](C)C)C[C@]3(C)C2)o1 ZINC001101431591 844184122 /nfs/dbraw/zinc/18/41/22/844184122.db2.gz VKJWIKKIPRVQJL-PBHICJAKSA-N 2 2 351.451 0.237 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643807 837875911 /nfs/dbraw/zinc/87/59/11/837875911.db2.gz MFOLVLXUAIZERN-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643807 837875921 /nfs/dbraw/zinc/87/59/21/837875921.db2.gz MFOLVLXUAIZERN-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643807 837875932 /nfs/dbraw/zinc/87/59/32/837875932.db2.gz MFOLVLXUAIZERN-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)sn1 ZINC001075643807 837875946 /nfs/dbraw/zinc/87/59/46/837875946.db2.gz MFOLVLXUAIZERN-NUEKZKHPSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076048163 837952703 /nfs/dbraw/zinc/95/27/03/837952703.db2.gz WANPAUURFBYYOR-OWCLPIDISA-N 2 2 366.487 0.159 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001076048163 837952710 /nfs/dbraw/zinc/95/27/10/837952710.db2.gz WANPAUURFBYYOR-OWCLPIDISA-N 2 2 366.487 0.159 20 0 FCADLP CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046576 837952971 /nfs/dbraw/zinc/95/29/71/837952971.db2.gz AJGHRYDKKPYPNX-XJKSGUPXSA-N 2 2 362.455 0.525 20 0 FCADLP CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046576 837952974 /nfs/dbraw/zinc/95/29/74/837952974.db2.gz AJGHRYDKKPYPNX-XJKSGUPXSA-N 2 2 362.455 0.525 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812784 838116421 /nfs/dbraw/zinc/11/64/21/838116421.db2.gz TXDDOJVXIIDVCA-QLFBSQMISA-N 2 2 361.471 0.447 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812784 838116428 /nfs/dbraw/zinc/11/64/28/838116428.db2.gz TXDDOJVXIIDVCA-QLFBSQMISA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812784 838116433 /nfs/dbraw/zinc/11/64/33/838116433.db2.gz TXDDOJVXIIDVCA-QLFBSQMISA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC001076812784 838116438 /nfs/dbraw/zinc/11/64/38/838116438.db2.gz TXDDOJVXIIDVCA-QLFBSQMISA-N 2 2 361.471 0.447 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260455 838858778 /nfs/dbraw/zinc/85/87/78/838858778.db2.gz IJOKRJFGCIBLGP-IAOVAPTHSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260455 838858782 /nfs/dbraw/zinc/85/87/82/838858782.db2.gz IJOKRJFGCIBLGP-IAOVAPTHSA-N 2 2 360.483 0.911 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O)CC2 ZINC001077583921 839053543 /nfs/dbraw/zinc/05/35/43/839053543.db2.gz UAJLGMIANNSOSR-MRVWCRGKSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O)CC2 ZINC001077583921 839053546 /nfs/dbraw/zinc/05/35/46/839053546.db2.gz UAJLGMIANNSOSR-MRVWCRGKSA-N 2 2 360.380 0.868 20 0 FCADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612291 839068307 /nfs/dbraw/zinc/06/83/07/839068307.db2.gz ALDOYWYNSXZUKF-HZPDHXFCSA-N 2 2 352.504 0.763 20 0 FCADLP Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612291 839068311 /nfs/dbraw/zinc/06/83/11/839068311.db2.gz ALDOYWYNSXZUKF-HZPDHXFCSA-N 2 2 352.504 0.763 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679646 839107509 /nfs/dbraw/zinc/10/75/09/839107509.db2.gz XTIVGFCVQAHARG-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679646 839107520 /nfs/dbraw/zinc/10/75/20/839107520.db2.gz XTIVGFCVQAHARG-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679646 839107527 /nfs/dbraw/zinc/10/75/27/839107527.db2.gz XTIVGFCVQAHARG-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)C1 ZINC001077679646 839107534 /nfs/dbraw/zinc/10/75/34/839107534.db2.gz XTIVGFCVQAHARG-NWANDNLSSA-N 2 2 355.870 0.040 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685228 839111596 /nfs/dbraw/zinc/11/15/96/839111596.db2.gz FPSFSPVZYMQVTH-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685228 839111603 /nfs/dbraw/zinc/11/16/03/839111603.db2.gz FPSFSPVZYMQVTH-DAXOMENPSA-N 2 2 352.435 0.080 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C(C)C)C[C@H]1C)[NH+](C)C ZINC001102085934 844407379 /nfs/dbraw/zinc/40/73/79/844407379.db2.gz IWOHXQFHYFDGRC-RBSFLKMASA-N 2 2 351.499 0.778 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C(C)C)C[C@H]1C)[NH+](C)C ZINC001102085934 844407381 /nfs/dbraw/zinc/40/73/81/844407381.db2.gz IWOHXQFHYFDGRC-RBSFLKMASA-N 2 2 351.499 0.778 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C)[NH+](C)C ZINC001102087304 844409218 /nfs/dbraw/zinc/40/92/18/844409218.db2.gz TVAPAOYDDNOQET-RBSFLKMASA-N 2 2 354.474 0.772 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C)[NH+](C)C ZINC001102087304 844409223 /nfs/dbraw/zinc/40/92/23/844409223.db2.gz TVAPAOYDDNOQET-RBSFLKMASA-N 2 2 354.474 0.772 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888849 839208793 /nfs/dbraw/zinc/20/87/93/839208793.db2.gz YFBSXLVDZFPREG-HUUCEWRRSA-N 2 2 352.504 0.845 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888849 839208805 /nfs/dbraw/zinc/20/88/05/839208805.db2.gz YFBSXLVDZFPREG-HUUCEWRRSA-N 2 2 352.504 0.845 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001077892688 839210445 /nfs/dbraw/zinc/21/04/45/839210445.db2.gz DXBZXZLGTCSPQD-HZPDHXFCSA-N 2 2 352.504 0.579 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001077892688 839210455 /nfs/dbraw/zinc/21/04/55/839210455.db2.gz DXBZXZLGTCSPQD-HZPDHXFCSA-N 2 2 352.504 0.579 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001078006210 839286935 /nfs/dbraw/zinc/28/69/35/839286935.db2.gz WHIXGYHDMIJCQZ-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001078006210 839286950 /nfs/dbraw/zinc/28/69/50/839286950.db2.gz WHIXGYHDMIJCQZ-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001078006210 839286964 /nfs/dbraw/zinc/28/69/64/839286964.db2.gz WHIXGYHDMIJCQZ-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001078006210 839286974 /nfs/dbraw/zinc/28/69/74/839286974.db2.gz WHIXGYHDMIJCQZ-RBSFLKMASA-N 2 2 350.463 0.549 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205756 839402460 /nfs/dbraw/zinc/40/24/60/839402460.db2.gz BJKOMIINDSQGPO-BRWVUGGUSA-N 2 2 367.515 0.747 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205756 839402465 /nfs/dbraw/zinc/40/24/65/839402465.db2.gz BJKOMIINDSQGPO-BRWVUGGUSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205756 839402470 /nfs/dbraw/zinc/40/24/70/839402470.db2.gz BJKOMIINDSQGPO-BRWVUGGUSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205756 839402475 /nfs/dbraw/zinc/40/24/75/839402475.db2.gz BJKOMIINDSQGPO-BRWVUGGUSA-N 2 2 367.515 0.747 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228502 839418803 /nfs/dbraw/zinc/41/88/03/839418803.db2.gz SWPIXKHZHUNZKO-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228502 839418808 /nfs/dbraw/zinc/41/88/08/839418808.db2.gz SWPIXKHZHUNZKO-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228502 839418817 /nfs/dbraw/zinc/41/88/17/839418817.db2.gz SWPIXKHZHUNZKO-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228502 839418822 /nfs/dbraw/zinc/41/88/22/839418822.db2.gz SWPIXKHZHUNZKO-BZUAXINKSA-N 2 2 350.463 0.827 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001078272094 839439238 /nfs/dbraw/zinc/43/92/38/839439238.db2.gz HCZXCBUKUYPMRP-IAGOWNOFSA-N 2 2 350.463 0.784 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1O ZINC001078272094 839439244 /nfs/dbraw/zinc/43/92/44/839439244.db2.gz HCZXCBUKUYPMRP-IAGOWNOFSA-N 2 2 350.463 0.784 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccon3)C2)O1 ZINC001078418499 839460975 /nfs/dbraw/zinc/46/09/75/839460975.db2.gz PEGSVEGOSQZZBH-FVQBIDKESA-N 2 2 352.435 0.101 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccon3)C2)O1 ZINC001078418499 839460981 /nfs/dbraw/zinc/46/09/81/839460981.db2.gz PEGSVEGOSQZZBH-FVQBIDKESA-N 2 2 352.435 0.101 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311097 839699946 /nfs/dbraw/zinc/69/99/46/839699946.db2.gz RGUFSUUHWQQOPQ-OWCLPIDISA-N 2 2 359.536 0.590 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311097 839699950 /nfs/dbraw/zinc/69/99/50/839699950.db2.gz RGUFSUUHWQQOPQ-OWCLPIDISA-N 2 2 359.536 0.590 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311097 839699952 /nfs/dbraw/zinc/69/99/52/839699952.db2.gz RGUFSUUHWQQOPQ-OWCLPIDISA-N 2 2 359.536 0.590 20 0 FCADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)C1 ZINC001080311097 839699957 /nfs/dbraw/zinc/69/99/57/839699957.db2.gz RGUFSUUHWQQOPQ-OWCLPIDISA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667407 839773840 /nfs/dbraw/zinc/77/38/40/839773840.db2.gz CJRIHSRQAPEORL-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667407 839773850 /nfs/dbraw/zinc/77/38/50/839773850.db2.gz CJRIHSRQAPEORL-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852788 839808590 /nfs/dbraw/zinc/80/85/90/839808590.db2.gz VJZCLTPRONUAMT-IAQYHMDHSA-N 2 2 363.487 0.929 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852788 839808599 /nfs/dbraw/zinc/80/85/99/839808599.db2.gz VJZCLTPRONUAMT-IAQYHMDHSA-N 2 2 363.487 0.929 20 0 FCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947713 839839300 /nfs/dbraw/zinc/83/93/00/839839300.db2.gz JZVBDRCHNLBMJH-IUODEOHRSA-N 2 2 363.487 0.860 20 0 FCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080947713 839839308 /nfs/dbraw/zinc/83/93/08/839839308.db2.gz JZVBDRCHNLBMJH-IUODEOHRSA-N 2 2 363.487 0.860 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481883 839941903 /nfs/dbraw/zinc/94/19/03/839941903.db2.gz YXCQWGHQBVMYQG-BZUAXINKSA-N 2 2 353.488 0.703 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481883 839941907 /nfs/dbraw/zinc/94/19/07/839941907.db2.gz YXCQWGHQBVMYQG-BZUAXINKSA-N 2 2 353.488 0.703 20 0 FCADLP CO[C@@H]1C[NH+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481883 839941911 /nfs/dbraw/zinc/94/19/11/839941911.db2.gz YXCQWGHQBVMYQG-BZUAXINKSA-N 2 2 353.488 0.703 20 0 FCADLP CO[C@@H]1C[NH+](Cc2csc(C)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481883 839941915 /nfs/dbraw/zinc/94/19/15/839941915.db2.gz YXCQWGHQBVMYQG-BZUAXINKSA-N 2 2 353.488 0.703 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407762 844488215 /nfs/dbraw/zinc/48/82/15/844488215.db2.gz KTTIQAAKLKOWGV-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407762 844488221 /nfs/dbraw/zinc/48/82/21/844488221.db2.gz KTTIQAAKLKOWGV-BFYDXBDKSA-N 2 2 350.463 0.832 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799422 840036171 /nfs/dbraw/zinc/03/61/71/840036171.db2.gz PDNBIPBCOJJMIR-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001081799422 840036175 /nfs/dbraw/zinc/03/61/75/840036175.db2.gz PDNBIPBCOJJMIR-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001081799422 840036185 /nfs/dbraw/zinc/03/61/85/840036185.db2.gz PDNBIPBCOJJMIR-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001081799422 840036188 /nfs/dbraw/zinc/03/61/88/840036188.db2.gz PDNBIPBCOJJMIR-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454760 844503702 /nfs/dbraw/zinc/50/37/02/844503702.db2.gz QTIDQJOXNOQGOQ-ARFHVFGLSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454760 844503707 /nfs/dbraw/zinc/50/37/07/844503707.db2.gz QTIDQJOXNOQGOQ-ARFHVFGLSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454760 844503710 /nfs/dbraw/zinc/50/37/10/844503710.db2.gz QTIDQJOXNOQGOQ-ARFHVFGLSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454760 844503715 /nfs/dbraw/zinc/50/37/15/844503715.db2.gz QTIDQJOXNOQGOQ-ARFHVFGLSA-N 2 2 352.479 0.935 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222398 840246934 /nfs/dbraw/zinc/24/69/34/840246934.db2.gz YFKWVUUDAKIZTM-BZUAXINKSA-N 2 2 355.458 0.622 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222398 840246943 /nfs/dbraw/zinc/24/69/43/840246943.db2.gz YFKWVUUDAKIZTM-BZUAXINKSA-N 2 2 355.458 0.622 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271496 840268679 /nfs/dbraw/zinc/26/86/79/840268679.db2.gz CUBCAVYLOBBDSA-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271496 840268692 /nfs/dbraw/zinc/26/86/92/840268692.db2.gz CUBCAVYLOBBDSA-BZUAXINKSA-N 2 2 354.495 0.010 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326528 840309138 /nfs/dbraw/zinc/30/91/38/840309138.db2.gz IBPYOVUDQYINAH-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326528 840309153 /nfs/dbraw/zinc/30/91/53/840309153.db2.gz IBPYOVUDQYINAH-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326528 840309171 /nfs/dbraw/zinc/30/91/71/840309171.db2.gz IBPYOVUDQYINAH-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP CO[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326528 840309179 /nfs/dbraw/zinc/30/91/79/840309179.db2.gz IBPYOVUDQYINAH-NUEKZKHPSA-N 2 2 369.897 0.694 20 0 FCADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457929 840420617 /nfs/dbraw/zinc/42/06/17/840420617.db2.gz NRFVOLSTZAAUFS-JLZZUVOBSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457929 840420622 /nfs/dbraw/zinc/42/06/22/840420622.db2.gz NRFVOLSTZAAUFS-JLZZUVOBSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082549559 840458688 /nfs/dbraw/zinc/45/86/88/840458688.db2.gz JKQDFGIQBLRKJM-UMVBOHGHSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082549559 840458693 /nfs/dbraw/zinc/45/86/93/840458693.db2.gz JKQDFGIQBLRKJM-UMVBOHGHSA-N 2 2 354.476 0.214 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082549480 840459059 /nfs/dbraw/zinc/45/90/59/840459059.db2.gz BNVCFHXGPWRVAU-IIAWOOMASA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082549480 840459064 /nfs/dbraw/zinc/45/90/64/840459064.db2.gz BNVCFHXGPWRVAU-IIAWOOMASA-N 2 2 368.503 0.604 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1csnn1 ZINC001082592418 840480342 /nfs/dbraw/zinc/48/03/42/840480342.db2.gz DKLNRNXPROYEAF-UKRRQHHQSA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H](c1csnn1)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513420 844544469 /nfs/dbraw/zinc/54/44/69/844544469.db2.gz JXKOOPFVGJBKSS-HZSPNIEDSA-N 2 2 355.508 0.861 20 0 FCADLP C[C@@H](c1csnn1)[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513420 844544472 /nfs/dbraw/zinc/54/44/72/844544472.db2.gz JXKOOPFVGJBKSS-HZSPNIEDSA-N 2 2 355.508 0.861 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)CS(C)(=O)=O ZINC001102513658 844544945 /nfs/dbraw/zinc/54/49/45/844544945.db2.gz VWXWFEBJHBFVDC-RRFJBIMHSA-N 2 2 370.519 0.327 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1)CS(C)(=O)=O ZINC001102513658 844544947 /nfs/dbraw/zinc/54/49/47/844544947.db2.gz VWXWFEBJHBFVDC-RRFJBIMHSA-N 2 2 370.519 0.327 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082658873 840512839 /nfs/dbraw/zinc/51/28/39/840512839.db2.gz DKRSKIRZZLJIHW-QLFBSQMISA-N 2 2 368.503 0.224 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001082673390 840520573 /nfs/dbraw/zinc/52/05/73/840520573.db2.gz LJDNNMIUIJWAQN-BZUAXINKSA-N 2 2 368.503 0.535 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702790 840530493 /nfs/dbraw/zinc/53/04/93/840530493.db2.gz INQFGLGNMXYLJA-WQVCFCJDSA-N 2 2 351.451 0.424 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082702790 840530500 /nfs/dbraw/zinc/53/05/00/840530500.db2.gz INQFGLGNMXYLJA-WQVCFCJDSA-N 2 2 351.451 0.424 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC001082957881 840620943 /nfs/dbraw/zinc/62/09/43/840620943.db2.gz AASVTLBCMYCAQQ-UKRRQHHQSA-N 2 2 354.476 0.144 20 0 FCADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083214333 840802924 /nfs/dbraw/zinc/80/29/24/840802924.db2.gz UGQSMVQHSGUYOB-JKSUJKDBSA-N 2 2 350.463 0.955 20 0 FCADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083214333 840802934 /nfs/dbraw/zinc/80/29/34/840802934.db2.gz UGQSMVQHSGUYOB-JKSUJKDBSA-N 2 2 350.463 0.955 20 0 FCADLP CC[C@H](F)C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234968 840819840 /nfs/dbraw/zinc/81/98/40/840819840.db2.gz GIOWBHBEPIZHRZ-BHYGNILZSA-N 2 2 357.470 0.757 20 0 FCADLP CC[C@H](F)C[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234968 840819852 /nfs/dbraw/zinc/81/98/52/840819852.db2.gz GIOWBHBEPIZHRZ-BHYGNILZSA-N 2 2 357.470 0.757 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]21 ZINC001083275966 840858655 /nfs/dbraw/zinc/85/86/55/840858655.db2.gz GIEXJRXNXOOCBG-UNCVUKBVSA-N 2 2 357.882 0.619 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]21 ZINC001083275966 840858668 /nfs/dbraw/zinc/85/86/68/840858668.db2.gz GIEXJRXNXOOCBG-UNCVUKBVSA-N 2 2 357.882 0.619 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)sn1 ZINC001083466385 841037712 /nfs/dbraw/zinc/03/77/12/841037712.db2.gz RJGATJYLFOMBEZ-XHSDSOJGSA-N 2 2 350.488 0.455 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)sn1 ZINC001083466385 841037723 /nfs/dbraw/zinc/03/77/23/841037723.db2.gz RJGATJYLFOMBEZ-XHSDSOJGSA-N 2 2 350.488 0.455 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ns3)C[C@@H]2O)CC[N@@H+]1C ZINC001083475121 841050029 /nfs/dbraw/zinc/05/00/29/841050029.db2.gz SRUJDCIKRRDGMJ-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)ns3)C[C@@H]2O)CC[N@H+]1C ZINC001083475121 841050039 /nfs/dbraw/zinc/05/00/39/841050039.db2.gz SRUJDCIKRRDGMJ-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]2O)CC[NH+]1C ZINC001083475121 841050057 /nfs/dbraw/zinc/05/00/57/841050057.db2.gz SRUJDCIKRRDGMJ-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]2O)CC[NH+]1C ZINC001083475121 841050067 /nfs/dbraw/zinc/05/00/67/841050067.db2.gz SRUJDCIKRRDGMJ-JJXSEGSLSA-N 2 2 352.504 0.843 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524126 841122699 /nfs/dbraw/zinc/12/26/99/841122699.db2.gz ISSPMTPOALZSSC-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524126 841122710 /nfs/dbraw/zinc/12/27/10/841122710.db2.gz ISSPMTPOALZSSC-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524126 841122723 /nfs/dbraw/zinc/12/27/23/841122723.db2.gz ISSPMTPOALZSSC-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524126 841122737 /nfs/dbraw/zinc/12/27/37/841122737.db2.gz ISSPMTPOALZSSC-BBWFWOEESA-N 2 2 350.463 0.907 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580102 841195693 /nfs/dbraw/zinc/19/56/93/841195693.db2.gz QGNVYIJHXRGKEH-XYPHTWIQSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580102 841195700 /nfs/dbraw/zinc/19/57/00/841195700.db2.gz QGNVYIJHXRGKEH-XYPHTWIQSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583872 841199765 /nfs/dbraw/zinc/19/97/65/841199765.db2.gz VGWZQXUXPHUQDL-MJBXVCDLSA-N 2 2 354.401 0.652 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001083583872 841199767 /nfs/dbraw/zinc/19/97/67/841199767.db2.gz VGWZQXUXPHUQDL-MJBXVCDLSA-N 2 2 354.401 0.652 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195898 /nfs/dbraw/zinc/19/58/98/861195898.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195899 /nfs/dbraw/zinc/19/58/99/861195899.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195902 /nfs/dbraw/zinc/19/59/02/861195902.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 2 2 352.523 0.319 20 0 FCADLP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195904 /nfs/dbraw/zinc/19/59/04/861195904.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195905 /nfs/dbraw/zinc/19/59/05/861195905.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 2 2 352.523 0.319 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001275800424 861195908 /nfs/dbraw/zinc/19/59/08/861195908.db2.gz CYQHNJZXVQMLTP-PKOBYXMFSA-N 2 2 352.523 0.319 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783013 841433553 /nfs/dbraw/zinc/43/35/53/841433553.db2.gz WQNGXWKKPQIDQH-CABCVRRESA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783013 841433560 /nfs/dbraw/zinc/43/35/60/841433560.db2.gz WQNGXWKKPQIDQH-CABCVRRESA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783013 841433567 /nfs/dbraw/zinc/43/35/67/841433567.db2.gz WQNGXWKKPQIDQH-CABCVRRESA-N 2 2 366.531 0.887 20 0 FCADLP Cc1ncsc1CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083783013 841433571 /nfs/dbraw/zinc/43/35/71/841433571.db2.gz WQNGXWKKPQIDQH-CABCVRRESA-N 2 2 366.531 0.887 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833555 841478249 /nfs/dbraw/zinc/47/82/49/841478249.db2.gz ISNRDHKWZVPQHU-SJORKVTESA-N 2 2 350.463 0.630 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833555 841478251 /nfs/dbraw/zinc/47/82/51/841478251.db2.gz ISNRDHKWZVPQHU-SJORKVTESA-N 2 2 350.463 0.630 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083833876 841480175 /nfs/dbraw/zinc/48/01/75/841480175.db2.gz ZWYCJLBMHCTPPA-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)o1 ZINC001083833876 841480182 /nfs/dbraw/zinc/48/01/82/841480182.db2.gz ZWYCJLBMHCTPPA-CVEARBPZSA-N 2 2 350.463 0.685 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)CC1 ZINC001083908610 841555890 /nfs/dbraw/zinc/55/58/90/841555890.db2.gz NAEPBNJTHHHUSD-CVEARBPZSA-N 2 2 352.504 0.925 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)CC1 ZINC001083908610 841555896 /nfs/dbraw/zinc/55/58/96/841555896.db2.gz NAEPBNJTHHHUSD-CVEARBPZSA-N 2 2 352.504 0.925 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078190 841687614 /nfs/dbraw/zinc/68/76/14/841687614.db2.gz PYMBMCYPGJBPAP-QLFBSQMISA-N 2 2 368.503 0.142 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078190 841687620 /nfs/dbraw/zinc/68/76/20/841687620.db2.gz PYMBMCYPGJBPAP-QLFBSQMISA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078190 841687629 /nfs/dbraw/zinc/68/76/29/841687629.db2.gz PYMBMCYPGJBPAP-QLFBSQMISA-N 2 2 368.503 0.142 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@@H]2O)C1 ZINC001084078190 841687632 /nfs/dbraw/zinc/68/76/32/841687632.db2.gz PYMBMCYPGJBPAP-QLFBSQMISA-N 2 2 368.503 0.142 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231779 841751563 /nfs/dbraw/zinc/75/15/63/841751563.db2.gz KZMYOUULLQJXRI-BRWVUGGUSA-N 2 2 369.531 0.438 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231779 841751570 /nfs/dbraw/zinc/75/15/70/841751570.db2.gz KZMYOUULLQJXRI-BRWVUGGUSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231779 841751576 /nfs/dbraw/zinc/75/15/76/841751576.db2.gz KZMYOUULLQJXRI-BRWVUGGUSA-N 2 2 369.531 0.438 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001084231779 841751585 /nfs/dbraw/zinc/75/15/85/841751585.db2.gz KZMYOUULLQJXRI-BRWVUGGUSA-N 2 2 369.531 0.438 20 0 FCADLP CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538763 841825333 /nfs/dbraw/zinc/82/53/33/841825333.db2.gz RUAIDOOEHZHIBH-TVFCKZIOSA-N 2 2 351.491 0.809 20 0 FCADLP CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001084538763 841825344 /nfs/dbraw/zinc/82/53/44/841825344.db2.gz RUAIDOOEHZHIBH-TVFCKZIOSA-N 2 2 351.491 0.809 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001084831803 841926534 /nfs/dbraw/zinc/92/65/34/841926534.db2.gz ZZHMRDLZMQGMJQ-GVDBMIGSSA-N 2 2 369.531 0.440 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001084831803 841926543 /nfs/dbraw/zinc/92/65/43/841926543.db2.gz ZZHMRDLZMQGMJQ-GVDBMIGSSA-N 2 2 369.531 0.440 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001085159105 842029539 /nfs/dbraw/zinc/02/95/39/842029539.db2.gz IBSXTJVFCBJNKK-OAGGEKHMSA-N 2 2 350.467 0.146 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001085159105 842029547 /nfs/dbraw/zinc/02/95/47/842029547.db2.gz IBSXTJVFCBJNKK-OAGGEKHMSA-N 2 2 350.467 0.146 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001085345504 842080939 /nfs/dbraw/zinc/08/09/39/842080939.db2.gz BOACLOLTTOHBGY-FVQBIDKESA-N 2 2 368.503 0.794 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001085429091 842102445 /nfs/dbraw/zinc/10/24/45/842102445.db2.gz GMDDNXXDYFBUHV-RBSFLKMASA-N 2 2 350.467 0.351 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001085429091 842102452 /nfs/dbraw/zinc/10/24/52/842102452.db2.gz GMDDNXXDYFBUHV-RBSFLKMASA-N 2 2 350.467 0.351 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2csnn2)C1 ZINC001085429328 842102831 /nfs/dbraw/zinc/10/28/31/842102831.db2.gz OBWRIJBKNICXJI-RBSFLKMASA-N 2 2 353.492 0.776 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2csnn2)C1 ZINC001085429328 842102835 /nfs/dbraw/zinc/10/28/35/842102835.db2.gz OBWRIJBKNICXJI-RBSFLKMASA-N 2 2 353.492 0.776 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncs2)C1 ZINC001085429433 842102886 /nfs/dbraw/zinc/10/28/86/842102886.db2.gz RSSWWOMKEGZHHY-MGPQQGTHSA-N 2 2 353.492 0.776 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncs2)C1 ZINC001085429433 842102890 /nfs/dbraw/zinc/10/28/90/842102890.db2.gz RSSWWOMKEGZHHY-MGPQQGTHSA-N 2 2 353.492 0.776 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001085605984 842108385 /nfs/dbraw/zinc/10/83/85/842108385.db2.gz ZNSDOKJXMMZXPC-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)NC2CCCC2)CC[N@H+]1C ZINC001085605984 842108392 /nfs/dbraw/zinc/10/83/92/842108392.db2.gz ZNSDOKJXMMZXPC-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001085605984 842108396 /nfs/dbraw/zinc/10/83/96/842108396.db2.gz ZNSDOKJXMMZXPC-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)NC2CCCC2)CC[NH+]1C ZINC001085605984 842108399 /nfs/dbraw/zinc/10/83/99/842108399.db2.gz ZNSDOKJXMMZXPC-DJIMGWMZSA-N 2 2 350.507 0.918 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1CCCF)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737289 842113530 /nfs/dbraw/zinc/11/35/30/842113530.db2.gz JROIKXWOVHFOMM-BBWFWOEESA-N 2 2 357.470 0.759 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1CCCF)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001085737289 842113533 /nfs/dbraw/zinc/11/35/33/842113533.db2.gz JROIKXWOVHFOMM-BBWFWOEESA-N 2 2 357.470 0.759 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120975 842123841 /nfs/dbraw/zinc/12/38/41/842123841.db2.gz WMZJVCAWRZDPLZ-APIJFGDWSA-N 2 2 350.467 0.002 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120975 842123847 /nfs/dbraw/zinc/12/38/47/842123847.db2.gz WMZJVCAWRZDPLZ-APIJFGDWSA-N 2 2 350.467 0.002 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400355 842131032 /nfs/dbraw/zinc/13/10/32/842131032.db2.gz CWUIAYPTQLNBHI-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nnc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001086400355 842131033 /nfs/dbraw/zinc/13/10/33/842131033.db2.gz CWUIAYPTQLNBHI-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086400723 842131338 /nfs/dbraw/zinc/13/13/38/842131338.db2.gz UOOPHCMJXLHGRV-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001086400723 842131341 /nfs/dbraw/zinc/13/13/41/842131341.db2.gz UOOPHCMJXLHGRV-OKNSCYNVSA-N 2 2 351.451 0.643 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnns2)C1 ZINC001087181098 842310349 /nfs/dbraw/zinc/31/03/49/842310349.db2.gz ADFXLJBBPUCEKH-HGTKMLMNSA-N 2 2 367.519 0.974 20 0 FCADLP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2cnns2)C1 ZINC001087181098 842310362 /nfs/dbraw/zinc/31/03/62/842310362.db2.gz ADFXLJBBPUCEKH-HGTKMLMNSA-N 2 2 367.519 0.974 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920468 842471209 /nfs/dbraw/zinc/47/12/09/842471209.db2.gz QDGWKIXGDXYBOR-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920468 842471214 /nfs/dbraw/zinc/47/12/14/842471214.db2.gz QDGWKIXGDXYBOR-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920468 842471217 /nfs/dbraw/zinc/47/12/17/842471217.db2.gz QDGWKIXGDXYBOR-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cncs4)CC[C@@H]3C2)C1 ZINC001087920468 842471220 /nfs/dbraw/zinc/47/12/20/842471220.db2.gz QDGWKIXGDXYBOR-IJEWVQPXSA-N 2 2 350.488 0.754 20 0 FCADLP O=C(N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001088126524 842537734 /nfs/dbraw/zinc/53/77/34/842537734.db2.gz JPYYJSYYAQZUCN-SJORKVTESA-N 2 2 351.491 0.404 20 0 FCADLP O=C(N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1)C1([NH+]2CCOCC2)CCCC1 ZINC001088126524 842537740 /nfs/dbraw/zinc/53/77/40/842537740.db2.gz JPYYJSYYAQZUCN-SJORKVTESA-N 2 2 351.491 0.404 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620271 842632042 /nfs/dbraw/zinc/63/20/42/842632042.db2.gz BZLXQYNQGIXKJJ-OAGGEKHMSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620271 842632047 /nfs/dbraw/zinc/63/20/47/842632047.db2.gz BZLXQYNQGIXKJJ-OAGGEKHMSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620271 842632050 /nfs/dbraw/zinc/63/20/50/842632050.db2.gz BZLXQYNQGIXKJJ-OAGGEKHMSA-N 2 2 359.536 0.588 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001088620271 842632054 /nfs/dbraw/zinc/63/20/54/842632054.db2.gz BZLXQYNQGIXKJJ-OAGGEKHMSA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088792084 842675802 /nfs/dbraw/zinc/67/58/02/842675802.db2.gz UFKBKYHEOPSQFW-PMPSAXMXSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC001088792084 842675807 /nfs/dbraw/zinc/67/58/07/842675807.db2.gz UFKBKYHEOPSQFW-PMPSAXMXSA-N 2 2 371.547 0.875 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001089038376 842751502 /nfs/dbraw/zinc/75/15/02/842751502.db2.gz RYHUSSXQWNEFNI-OAGGEKHMSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001089038376 842751512 /nfs/dbraw/zinc/75/15/12/842751512.db2.gz RYHUSSXQWNEFNI-OAGGEKHMSA-N 2 2 357.520 0.486 20 0 FCADLP C[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676460 843275897 /nfs/dbraw/zinc/27/58/97/843275897.db2.gz ZBWHCAZKWREWLQ-RBSFLKMASA-N 2 2 368.503 0.489 20 0 FCADLP C[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001092676460 843275910 /nfs/dbraw/zinc/27/59/10/843275910.db2.gz ZBWHCAZKWREWLQ-RBSFLKMASA-N 2 2 368.503 0.489 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)co1 ZINC001092724676 843286770 /nfs/dbraw/zinc/28/67/70/843286770.db2.gz RYFJJIKPXJFJMP-GKLJAUDBSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](C)C2)co1 ZINC001092724676 843286781 /nfs/dbraw/zinc/28/67/81/843286781.db2.gz RYFJJIKPXJFJMP-GKLJAUDBSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](C)C2)co1 ZINC001092724676 843286793 /nfs/dbraw/zinc/28/67/93/843286793.db2.gz RYFJJIKPXJFJMP-GKLJAUDBSA-N 2 2 350.463 0.886 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](C)C2)co1 ZINC001092724676 843286806 /nfs/dbraw/zinc/28/68/06/843286806.db2.gz RYFJJIKPXJFJMP-GKLJAUDBSA-N 2 2 350.463 0.886 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211859 843410790 /nfs/dbraw/zinc/41/07/90/843410790.db2.gz GGFJCXKIBFMJEG-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211859 843410793 /nfs/dbraw/zinc/41/07/93/843410793.db2.gz GGFJCXKIBFMJEG-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211859 843410798 /nfs/dbraw/zinc/41/07/98/843410798.db2.gz GGFJCXKIBFMJEG-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)C1 ZINC001093211859 843410803 /nfs/dbraw/zinc/41/08/03/843410803.db2.gz GGFJCXKIBFMJEG-FVQBIDKESA-N 2 2 350.463 0.888 20 0 FCADLP CC(C)[C@H]1N(C(=O)CCc2[nH]cc[nH+]2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001093446862 843433290 /nfs/dbraw/zinc/43/32/90/843433290.db2.gz NKZYUVODDDTOJN-DTDBQYNISA-N 2 2 350.463 0.301 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCO)C2)[C@@H]1C(C)C ZINC001093472938 843441225 /nfs/dbraw/zinc/44/12/25/843441225.db2.gz LUUWIKMFNMCKJD-XYVMCAHJSA-N 2 2 350.463 0.219 20 0 FCADLP COCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545617 843442241 /nfs/dbraw/zinc/44/22/41/843442241.db2.gz NBQDRVYATFDBIP-RHSMWYFYSA-N 2 2 355.479 0.044 20 0 FCADLP COCC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545617 843442245 /nfs/dbraw/zinc/44/22/45/843442245.db2.gz NBQDRVYATFDBIP-RHSMWYFYSA-N 2 2 355.479 0.044 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001093991889 843500005 /nfs/dbraw/zinc/50/00/05/843500005.db2.gz IBYUHRHHNFNJJM-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001093991889 843500010 /nfs/dbraw/zinc/50/00/10/843500010.db2.gz IBYUHRHHNFNJJM-IIAWOOMASA-N 2 2 367.519 0.831 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001094232444 843538019 /nfs/dbraw/zinc/53/80/19/843538019.db2.gz VYLWJZVNVPSBKD-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cnsn3)[C@H](C)C2)C1 ZINC001094232444 843538026 /nfs/dbraw/zinc/53/80/26/843538026.db2.gz VYLWJZVNVPSBKD-UMVBOHGHSA-N 2 2 353.492 0.443 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001095768297 843755098 /nfs/dbraw/zinc/75/50/98/843755098.db2.gz CWUNBRBAXBSCQL-WCVJEAGWSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001095768297 843755104 /nfs/dbraw/zinc/75/51/04/843755104.db2.gz CWUNBRBAXBSCQL-WCVJEAGWSA-N 2 2 366.487 0.348 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860498 843888021 /nfs/dbraw/zinc/88/80/21/843888021.db2.gz MJMZVJQTZYJSCH-FPCVCCKLSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860498 843888029 /nfs/dbraw/zinc/88/80/29/843888029.db2.gz MJMZVJQTZYJSCH-FPCVCCKLSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001097860498 843888037 /nfs/dbraw/zinc/88/80/37/843888037.db2.gz MJMZVJQTZYJSCH-FPCVCCKLSA-N 2 2 350.507 0.917 20 0 FCADLP C[C@H](C(=O)N(C)C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001097860498 843888043 /nfs/dbraw/zinc/88/80/43/843888043.db2.gz MJMZVJQTZYJSCH-FPCVCCKLSA-N 2 2 350.507 0.917 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccns2)C3)C1 ZINC001098774063 843935257 /nfs/dbraw/zinc/93/52/57/843935257.db2.gz UEHWGLIABZAVPM-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](Cc2ccns2)C3)C1 ZINC001098774063 843935260 /nfs/dbraw/zinc/93/52/60/843935260.db2.gz UEHWGLIABZAVPM-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccns2)C3)C1 ZINC001098774063 843935262 /nfs/dbraw/zinc/93/52/62/843935262.db2.gz UEHWGLIABZAVPM-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccns2)C3)C1 ZINC001098774063 843935265 /nfs/dbraw/zinc/93/52/65/843935265.db2.gz UEHWGLIABZAVPM-LXZKKBNFSA-N 2 2 350.488 0.944 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099254062 843991954 /nfs/dbraw/zinc/99/19/54/843991954.db2.gz FMMFSVAYFHKNQC-CHWSQXEVSA-N 2 2 360.380 0.733 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)co1 ZINC001102819008 844652406 /nfs/dbraw/zinc/65/24/06/844652406.db2.gz MXUZFDYNBSACHS-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)co1 ZINC001102819008 844652412 /nfs/dbraw/zinc/65/24/12/844652412.db2.gz MXUZFDYNBSACHS-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)co1 ZINC001102819008 844652418 /nfs/dbraw/zinc/65/24/18/844652418.db2.gz MXUZFDYNBSACHS-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)co1 ZINC001102819008 844652421 /nfs/dbraw/zinc/65/24/21/844652421.db2.gz MXUZFDYNBSACHS-FRFSOERESA-N 2 2 350.463 0.888 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)s1 ZINC001102819196 844653481 /nfs/dbraw/zinc/65/34/81/844653481.db2.gz PHTUGMJWIAIPBO-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[NH+](C)CCO3)C2)s1 ZINC001102819196 844653486 /nfs/dbraw/zinc/65/34/86/844653486.db2.gz PHTUGMJWIAIPBO-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@H+](C)CCO3)C2)s1 ZINC001102819196 844653490 /nfs/dbraw/zinc/65/34/90/844653490.db2.gz PHTUGMJWIAIPBO-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP Cc1nnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)s1 ZINC001102819196 844653492 /nfs/dbraw/zinc/65/34/92/844653492.db2.gz PHTUGMJWIAIPBO-BPLDGKMQSA-N 2 2 367.519 0.751 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1)CS(C)(=O)=O ZINC001103576220 844782601 /nfs/dbraw/zinc/78/26/01/844782601.db2.gz UGBUYQDVHLVJFN-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1)CS(C)(=O)=O ZINC001103576220 844782607 /nfs/dbraw/zinc/78/26/07/844782607.db2.gz UGBUYQDVHLVJFN-RBSFLKMASA-N 2 2 370.519 0.707 20 0 FCADLP CC(C)OC(=O)CN1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276609611 861497520 /nfs/dbraw/zinc/49/75/20/861497520.db2.gz KIYOMZBHORZRCQ-GOSISDBHSA-N 2 2 355.479 0.441 20 0 FCADLP CC(C)OC(=O)CN1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276609611 861497526 /nfs/dbraw/zinc/49/75/26/861497526.db2.gz KIYOMZBHORZRCQ-GOSISDBHSA-N 2 2 355.479 0.441 20 0 FCADLP CCS(=O)(=O)CCN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610942 861498357 /nfs/dbraw/zinc/49/83/57/861498357.db2.gz SUBNFZDYOCREJQ-KRWDZBQOSA-N 2 2 373.519 0.214 20 0 FCADLP CCS(=O)(=O)CCN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001276610942 861498365 /nfs/dbraw/zinc/49/83/65/861498365.db2.gz SUBNFZDYOCREJQ-KRWDZBQOSA-N 2 2 373.519 0.214 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742702 844813253 /nfs/dbraw/zinc/81/32/53/844813253.db2.gz SKFCSOWSHNWMGX-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742702 844813256 /nfs/dbraw/zinc/81/32/56/844813256.db2.gz SKFCSOWSHNWMGX-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742702 844813264 /nfs/dbraw/zinc/81/32/64/844813264.db2.gz SKFCSOWSHNWMGX-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)C1 ZINC001103742702 844813272 /nfs/dbraw/zinc/81/32/72/844813272.db2.gz SKFCSOWSHNWMGX-IIAWOOMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740575 844813763 /nfs/dbraw/zinc/81/37/63/844813763.db2.gz MXWYWVLQYQWALA-RBSFLKMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740575 844813767 /nfs/dbraw/zinc/81/37/67/844813767.db2.gz MXWYWVLQYQWALA-RBSFLKMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740575 844813770 /nfs/dbraw/zinc/81/37/70/844813770.db2.gz MXWYWVLQYQWALA-RBSFLKMASA-N 2 2 367.519 0.833 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)C1 ZINC001103740575 844813772 /nfs/dbraw/zinc/81/37/72/844813772.db2.gz MXWYWVLQYQWALA-RBSFLKMASA-N 2 2 367.519 0.833 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001104034235 844857540 /nfs/dbraw/zinc/85/75/40/844857540.db2.gz ZNWFZZQBYLAPJZ-BPLDGKMQSA-N 2 2 350.467 0.018 20 0 FCADLP Cc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)[nH]1 ZINC001104034235 844857543 /nfs/dbraw/zinc/85/75/43/844857543.db2.gz ZNWFZZQBYLAPJZ-BPLDGKMQSA-N 2 2 350.467 0.018 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104034221 844857656 /nfs/dbraw/zinc/85/76/56/844857656.db2.gz YKRZVIKVVMXGFH-MCIONIFRSA-N 2 2 353.492 0.443 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CC[NH2+]Cc1nncs1 ZINC001104034221 844857658 /nfs/dbraw/zinc/85/76/58/844857658.db2.gz YKRZVIKVVMXGFH-MCIONIFRSA-N 2 2 353.492 0.443 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104452644 844913978 /nfs/dbraw/zinc/91/39/78/844913978.db2.gz PODZTFWWFVIZDO-BZUAXINKSA-N 2 2 354.495 0.047 20 0 FCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104452644 844913982 /nfs/dbraw/zinc/91/39/82/844913982.db2.gz PODZTFWWFVIZDO-BZUAXINKSA-N 2 2 354.495 0.047 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104732094 844936229 /nfs/dbraw/zinc/93/62/29/844936229.db2.gz NOQYGOHPSRQPQU-ZIAGYGMSSA-N 2 2 356.492 0.461 20 0 FCADLP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104909105 844958424 /nfs/dbraw/zinc/95/84/24/844958424.db2.gz XZJCKSGQZKQIED-RBSFLKMASA-N 2 2 352.479 0.769 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104954636 844961264 /nfs/dbraw/zinc/96/12/64/844961264.db2.gz LPELCEJEPJXPFE-TZMCWYRMSA-N 2 2 356.492 0.379 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)C1 ZINC001105041259 844973931 /nfs/dbraw/zinc/97/39/31/844973931.db2.gz BETWDOFBCAQDNH-KFWWJZLASA-N 2 2 367.519 0.833 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nncs3)C2)C1 ZINC001105041259 844973935 /nfs/dbraw/zinc/97/39/35/844973935.db2.gz BETWDOFBCAQDNH-KFWWJZLASA-N 2 2 367.519 0.833 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C/Cl)nn3)C2)CC[N@@H+]1C ZINC001105244085 844984269 /nfs/dbraw/zinc/98/42/69/844984269.db2.gz PMLJDELRUJZUGN-BYSCNOHMSA-N 2 2 352.870 0.844 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]C/C=C/Cl)nn3)C2)CC[N@H+]1C ZINC001105244085 844984274 /nfs/dbraw/zinc/98/42/74/844984274.db2.gz PMLJDELRUJZUGN-BYSCNOHMSA-N 2 2 352.870 0.844 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655353 845010045 /nfs/dbraw/zinc/01/00/45/845010045.db2.gz HRRQVAGGESPVMW-JOCBIADPSA-N 2 2 350.463 0.565 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105655355 845010609 /nfs/dbraw/zinc/01/06/09/845010609.db2.gz HRRQVAGGESPVMW-XYVMCAHJSA-N 2 2 350.463 0.565 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106655306 845215625 /nfs/dbraw/zinc/21/56/25/845215625.db2.gz JZDUZULSMGOKEV-MCIONIFRSA-N 2 2 368.503 0.558 20 0 FCADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710232 845230321 /nfs/dbraw/zinc/23/03/21/845230321.db2.gz BWFFWVCYGADRCN-RBSFLKMASA-N 2 2 356.492 0.563 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748052 845240434 /nfs/dbraw/zinc/24/04/34/845240434.db2.gz GWLUTMCKLNFMMN-ARFHVFGLSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748052 845240444 /nfs/dbraw/zinc/24/04/44/845240444.db2.gz GWLUTMCKLNFMMN-ARFHVFGLSA-N 2 2 352.479 0.935 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001106799685 845255341 /nfs/dbraw/zinc/25/53/41/845255341.db2.gz MBPLIOBVQZJQLE-QLFBSQMISA-N 2 2 368.503 0.461 20 0 FCADLP COC(C)(C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276727403 861557846 /nfs/dbraw/zinc/55/78/46/861557846.db2.gz DKQLGBCUIRCCQL-GOSISDBHSA-N 2 2 350.463 0.859 20 0 FCADLP COC(C)(C)C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001276727403 861557853 /nfs/dbraw/zinc/55/78/53/861557853.db2.gz DKQLGBCUIRCCQL-GOSISDBHSA-N 2 2 350.463 0.859 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107491591 845383598 /nfs/dbraw/zinc/38/35/98/845383598.db2.gz HWYZDZRWWMPOSD-SJLPKXTDSA-N 2 2 350.463 0.643 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107491591 845383604 /nfs/dbraw/zinc/38/36/04/845383604.db2.gz HWYZDZRWWMPOSD-SJLPKXTDSA-N 2 2 350.463 0.643 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001109113564 845573131 /nfs/dbraw/zinc/57/31/31/845573131.db2.gz QNEUMMCSDSAGRN-OWSLCNJRSA-N 2 2 351.491 0.855 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCC2CCC2)C1 ZINC001109113564 845573138 /nfs/dbraw/zinc/57/31/38/845573138.db2.gz QNEUMMCSDSAGRN-OWSLCNJRSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCC2CCC2)C1 ZINC001109113564 845573148 /nfs/dbraw/zinc/57/31/48/845573148.db2.gz QNEUMMCSDSAGRN-OWSLCNJRSA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CCC2)C1 ZINC001109113564 845573158 /nfs/dbraw/zinc/57/31/58/845573158.db2.gz QNEUMMCSDSAGRN-OWSLCNJRSA-N 2 2 351.491 0.855 20 0 FCADLP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397356 845643734 /nfs/dbraw/zinc/64/37/34/845643734.db2.gz XVWIIXIGZYZIRC-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001109397356 845643743 /nfs/dbraw/zinc/64/37/43/845643743.db2.gz XVWIIXIGZYZIRC-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001109397356 845643751 /nfs/dbraw/zinc/64/37/51/845643751.db2.gz XVWIIXIGZYZIRC-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109397356 845643759 /nfs/dbraw/zinc/64/37/59/845643759.db2.gz XVWIIXIGZYZIRC-NCOADZHNSA-N 2 2 350.507 0.822 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440482 845654747 /nfs/dbraw/zinc/65/47/47/845654747.db2.gz XEFBXKMHTAOETE-UGUYLWEFSA-N 2 2 350.463 0.655 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440482 845654755 /nfs/dbraw/zinc/65/47/55/845654755.db2.gz XEFBXKMHTAOETE-UGUYLWEFSA-N 2 2 350.463 0.655 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001109671464 845711143 /nfs/dbraw/zinc/71/11/43/845711143.db2.gz KEOLKLZTCORAMF-UGUYLWEFSA-N 2 2 351.426 0.538 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001109671464 845711150 /nfs/dbraw/zinc/71/11/50/845711150.db2.gz KEOLKLZTCORAMF-UGUYLWEFSA-N 2 2 351.426 0.538 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001109671464 845711155 /nfs/dbraw/zinc/71/11/55/845711155.db2.gz KEOLKLZTCORAMF-UGUYLWEFSA-N 2 2 351.426 0.538 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001109671464 845711160 /nfs/dbraw/zinc/71/11/60/845711160.db2.gz KEOLKLZTCORAMF-UGUYLWEFSA-N 2 2 351.426 0.538 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671531 845711633 /nfs/dbraw/zinc/71/16/33/845711633.db2.gz NTDRCQPMEHGQKR-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671531 845711638 /nfs/dbraw/zinc/71/16/38/845711638.db2.gz NTDRCQPMEHGQKR-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718835 845719703 /nfs/dbraw/zinc/71/97/03/845719703.db2.gz MCSOWDGPAYHCDE-NCOADZHNSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718835 845719711 /nfs/dbraw/zinc/71/97/11/845719711.db2.gz MCSOWDGPAYHCDE-NCOADZHNSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109718835 845719721 /nfs/dbraw/zinc/71/97/21/845719721.db2.gz MCSOWDGPAYHCDE-NCOADZHNSA-N 2 2 350.507 0.918 20 0 FCADLP CCN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109718835 845719728 /nfs/dbraw/zinc/71/97/28/845719728.db2.gz MCSOWDGPAYHCDE-NCOADZHNSA-N 2 2 350.507 0.918 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718923 845719963 /nfs/dbraw/zinc/71/99/63/845719963.db2.gz OFERMOSXWSBOTK-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718923 845719967 /nfs/dbraw/zinc/71/99/67/845719967.db2.gz OFERMOSXWSBOTK-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109718923 845719971 /nfs/dbraw/zinc/71/99/71/845719971.db2.gz OFERMOSXWSBOTK-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109718923 845719973 /nfs/dbraw/zinc/71/99/73/845719973.db2.gz OFERMOSXWSBOTK-NCOADZHNSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001109733270 845724150 /nfs/dbraw/zinc/72/41/50/845724150.db2.gz LHLLSOLOSYITCH-UGUYLWEFSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC)[NH+](C)C ZINC001109733270 845724154 /nfs/dbraw/zinc/72/41/54/845724154.db2.gz LHLLSOLOSYITCH-UGUYLWEFSA-N 2 2 354.495 0.201 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110156856 845807364 /nfs/dbraw/zinc/80/73/64/845807364.db2.gz CKGIHWZDQAKQBF-WCVJEAGWSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001110156856 845807373 /nfs/dbraw/zinc/80/73/73/845807373.db2.gz CKGIHWZDQAKQBF-WCVJEAGWSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001110156856 845807381 /nfs/dbraw/zinc/80/73/81/845807381.db2.gz CKGIHWZDQAKQBF-WCVJEAGWSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001110156856 845807389 /nfs/dbraw/zinc/80/73/89/845807389.db2.gz CKGIHWZDQAKQBF-WCVJEAGWSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110159403 845808141 /nfs/dbraw/zinc/80/81/41/845808141.db2.gz OUBCRFQKTJKRIE-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110159403 845808143 /nfs/dbraw/zinc/80/81/43/845808143.db2.gz OUBCRFQKTJKRIE-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110159403 845808146 /nfs/dbraw/zinc/80/81/46/845808146.db2.gz OUBCRFQKTJKRIE-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001110159403 845808148 /nfs/dbraw/zinc/80/81/48/845808148.db2.gz OUBCRFQKTJKRIE-NCOADZHNSA-N 2 2 371.547 0.873 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001276794327 861610495 /nfs/dbraw/zinc/61/04/95/861610495.db2.gz HIMIKXDWSJCFSQ-APWZRJJASA-N 2 2 353.507 0.981 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(C1CCCC1)C(=O)CO2 ZINC001276794327 861610497 /nfs/dbraw/zinc/61/04/97/861610497.db2.gz HIMIKXDWSJCFSQ-APWZRJJASA-N 2 2 353.507 0.981 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1 ZINC001110616947 845930176 /nfs/dbraw/zinc/93/01/76/845930176.db2.gz WUNXLJGMPHRWHJ-QXSJWSMHSA-N 2 2 354.470 0.620 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1 ZINC001110616947 845930180 /nfs/dbraw/zinc/93/01/80/845930180.db2.gz WUNXLJGMPHRWHJ-QXSJWSMHSA-N 2 2 354.470 0.620 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673608 845947015 /nfs/dbraw/zinc/94/70/15/845947015.db2.gz JGEPVWPLYGRGIS-SVGFKBNWSA-N 2 2 369.531 0.627 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673608 845947020 /nfs/dbraw/zinc/94/70/20/845947020.db2.gz JGEPVWPLYGRGIS-SVGFKBNWSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673608 845947023 /nfs/dbraw/zinc/94/70/23/845947023.db2.gz JGEPVWPLYGRGIS-SVGFKBNWSA-N 2 2 369.531 0.627 20 0 FCADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001110673608 845947026 /nfs/dbraw/zinc/94/70/26/845947026.db2.gz JGEPVWPLYGRGIS-SVGFKBNWSA-N 2 2 369.531 0.627 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707836 845953301 /nfs/dbraw/zinc/95/33/01/845953301.db2.gz XEFBXKMHTAOETE-QXSJWSMHSA-N 2 2 350.463 0.655 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707836 845953305 /nfs/dbraw/zinc/95/33/05/845953305.db2.gz XEFBXKMHTAOETE-QXSJWSMHSA-N 2 2 350.463 0.655 20 0 FCADLP CCS(=O)(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110719193 845954760 /nfs/dbraw/zinc/95/47/60/845954760.db2.gz MZIABVUKIQIMFJ-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110719193 845954768 /nfs/dbraw/zinc/95/47/68/845954768.db2.gz MZIABVUKIQIMFJ-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110719193 845954775 /nfs/dbraw/zinc/95/47/75/845954775.db2.gz MZIABVUKIQIMFJ-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CCS(=O)(=O)NCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110719193 845954781 /nfs/dbraw/zinc/95/47/81/845954781.db2.gz MZIABVUKIQIMFJ-LVQVYYBASA-N 2 2 372.535 0.132 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025265 846018869 /nfs/dbraw/zinc/01/88/69/846018869.db2.gz UUPZEDNGWUHJOK-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025265 846018877 /nfs/dbraw/zinc/01/88/77/846018877.db2.gz UUPZEDNGWUHJOK-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025265 846018880 /nfs/dbraw/zinc/01/88/80/846018880.db2.gz UUPZEDNGWUHJOK-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111025265 846018887 /nfs/dbraw/zinc/01/88/87/846018887.db2.gz UUPZEDNGWUHJOK-OAGGEKHMSA-N 2 2 350.507 0.964 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465399 846118282 /nfs/dbraw/zinc/11/82/82/846118282.db2.gz TZJNYICXSDYESR-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465399 846118287 /nfs/dbraw/zinc/11/82/87/846118287.db2.gz TZJNYICXSDYESR-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465399 846118296 /nfs/dbraw/zinc/11/82/96/846118296.db2.gz TZJNYICXSDYESR-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP COCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465399 846118304 /nfs/dbraw/zinc/11/83/04/846118304.db2.gz TZJNYICXSDYESR-OAGGEKHMSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984696 846281780 /nfs/dbraw/zinc/28/17/80/846281780.db2.gz KNEVKKKEEYBXQX-GJYPPUQNSA-N 2 2 350.507 0.968 20 0 FCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984696 846281792 /nfs/dbraw/zinc/28/17/92/846281792.db2.gz KNEVKKKEEYBXQX-GJYPPUQNSA-N 2 2 350.507 0.968 20 0 FCADLP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021238 846298993 /nfs/dbraw/zinc/29/89/93/846298993.db2.gz BFYVTVHJXLERPK-JZXOWHBKSA-N 2 2 350.463 0.641 20 0 FCADLP COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021238 846299004 /nfs/dbraw/zinc/29/90/04/846299004.db2.gz BFYVTVHJXLERPK-JZXOWHBKSA-N 2 2 350.463 0.641 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112552294 846522540 /nfs/dbraw/zinc/52/25/40/846522540.db2.gz QQTZVPWUCVYAAW-YOEHRIQHSA-N 2 2 368.503 0.605 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@](O)(C2CC2)C1)CC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001116837091 846780989 /nfs/dbraw/zinc/78/09/89/846780989.db2.gz QPFRKVOJIRCYFZ-ROUUACIJSA-N 2 2 372.531 0.095 20 0 FCADLP O=S(=O)(CC[NH+]1CC[C@@](O)(C2CC2)C1)CC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001116837091 846780994 /nfs/dbraw/zinc/78/09/94/846780994.db2.gz QPFRKVOJIRCYFZ-ROUUACIJSA-N 2 2 372.531 0.095 20 0 FCADLP CCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001117367929 846984038 /nfs/dbraw/zinc/98/40/38/846984038.db2.gz ADWQTONFSYERKO-OAHLLOKOSA-N 2 2 350.507 0.968 20 0 FCADLP CCCC1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001117367929 846984050 /nfs/dbraw/zinc/98/40/50/846984050.db2.gz ADWQTONFSYERKO-OAHLLOKOSA-N 2 2 350.507 0.968 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3F)C2)CC1 ZINC001118073599 847270466 /nfs/dbraw/zinc/27/04/66/847270466.db2.gz GHEFVVIDGRUWAD-FVQBIDKESA-N 2 2 354.470 0.668 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3F)C2)CC1 ZINC001118073599 847270470 /nfs/dbraw/zinc/27/04/70/847270470.db2.gz GHEFVVIDGRUWAD-FVQBIDKESA-N 2 2 354.470 0.668 20 0 FCADLP COCCc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001118198102 847321777 /nfs/dbraw/zinc/32/17/77/847321777.db2.gz GSKNVSDATWNQCQ-UONOGXRCSA-N 2 2 351.451 0.339 20 0 FCADLP COCCc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC001118198102 847321787 /nfs/dbraw/zinc/32/17/87/847321787.db2.gz GSKNVSDATWNQCQ-UONOGXRCSA-N 2 2 351.451 0.339 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118631656 847507491 /nfs/dbraw/zinc/50/74/91/847507491.db2.gz XJSSTEYTYWEAJV-WBVHZDCISA-N 2 2 353.511 0.175 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)CN1CC[NH+]1CCOCC1 ZINC001120495258 848221265 /nfs/dbraw/zinc/22/12/65/848221265.db2.gz IUGNQAYRIAHIQZ-SJORKVTESA-N 2 2 351.422 0.382 20 0 FCADLP Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001124849656 848688216 /nfs/dbraw/zinc/68/82/16/848688216.db2.gz IOZFWMNDWDCKDP-VHDGCEQUSA-N 2 2 351.451 0.044 20 0 FCADLP Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001124849656 848688222 /nfs/dbraw/zinc/68/82/22/848688222.db2.gz IOZFWMNDWDCKDP-VHDGCEQUSA-N 2 2 351.451 0.044 20 0 FCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049501 848800024 /nfs/dbraw/zinc/80/00/24/848800024.db2.gz YSLAYZFICHTZGL-KFWWJZLASA-N 2 2 352.458 0.852 20 0 FCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049501 848800034 /nfs/dbraw/zinc/80/00/34/848800034.db2.gz YSLAYZFICHTZGL-KFWWJZLASA-N 2 2 352.458 0.852 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129461214 848848287 /nfs/dbraw/zinc/84/82/87/848848287.db2.gz RUHCFRNKJNDPBK-CABCVRRESA-N 2 2 363.491 0.617 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129461214 848848294 /nfs/dbraw/zinc/84/82/94/848848294.db2.gz RUHCFRNKJNDPBK-CABCVRRESA-N 2 2 363.491 0.617 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129461214 848848305 /nfs/dbraw/zinc/84/83/05/848848305.db2.gz RUHCFRNKJNDPBK-CABCVRRESA-N 2 2 363.491 0.617 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1n1ccnn1 ZINC001129461214 848848315 /nfs/dbraw/zinc/84/83/15/848848315.db2.gz RUHCFRNKJNDPBK-CABCVRRESA-N 2 2 363.491 0.617 20 0 FCADLP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900499 848911782 /nfs/dbraw/zinc/91/17/82/848911782.db2.gz GGSUIPZPCHUKES-MGPQQGTHSA-N 2 2 351.451 0.150 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130024360 848932529 /nfs/dbraw/zinc/93/25/29/848932529.db2.gz RUUXPVVWMPFEOC-NEPJUHHUSA-N 2 2 357.340 0.538 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001130047456 848936589 /nfs/dbraw/zinc/93/65/89/848936589.db2.gz BRZDBHSGCKKVEL-KGLIPLIRSA-N 2 2 363.491 0.618 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc3ccsc3c(=O)[nH]2)O1 ZINC001130180202 848958595 /nfs/dbraw/zinc/95/85/95/848958595.db2.gz HIAMUZMGUDQXHF-ZYHUDNBSSA-N 2 2 365.459 0.322 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nc3ccsc3c(=O)[nH]2)O1 ZINC001130180202 848958598 /nfs/dbraw/zinc/95/85/98/848958598.db2.gz HIAMUZMGUDQXHF-ZYHUDNBSSA-N 2 2 365.459 0.322 20 0 FCADLP O=C(C[NH+]1CCCC1)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCF)O2)n[nH]1 ZINC001130817499 849048036 /nfs/dbraw/zinc/04/80/36/849048036.db2.gz PYLYCKXQIGRFQD-QWHCGFSZSA-N 2 2 354.430 0.296 20 0 FCADLP O=C(NCC[NH2+]C[C@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131614021 849131433 /nfs/dbraw/zinc/13/14/33/849131433.db2.gz VWLIEHRJHFPYTB-ZACQAIPSSA-N 2 2 355.479 0.141 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cnc(N)s3)CC[C@@H]2C1 ZINC001139228390 849331330 /nfs/dbraw/zinc/33/13/30/849331330.db2.gz YZMCAQHOUPFIAM-TZMCWYRMSA-N 2 2 353.492 0.336 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cnc(N)s3)CC[C@@H]2C1 ZINC001139228390 849331342 /nfs/dbraw/zinc/33/13/42/849331342.db2.gz YZMCAQHOUPFIAM-TZMCWYRMSA-N 2 2 353.492 0.336 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cnc(N)s3)CC[C@@H]2C1 ZINC001139228390 849331351 /nfs/dbraw/zinc/33/13/51/849331351.db2.gz YZMCAQHOUPFIAM-TZMCWYRMSA-N 2 2 353.492 0.336 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cnc(N)s3)CC[C@@H]2C1 ZINC001139228390 849331365 /nfs/dbraw/zinc/33/13/65/849331365.db2.gz YZMCAQHOUPFIAM-TZMCWYRMSA-N 2 2 353.492 0.336 20 0 FCADLP OC[C@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139760539 849346943 /nfs/dbraw/zinc/34/69/43/849346943.db2.gz RHBZOFRLKHENRT-MJGOQNOKSA-N 2 2 350.459 0.573 20 0 FCADLP OC[C@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139760539 849346951 /nfs/dbraw/zinc/34/69/51/849346951.db2.gz RHBZOFRLKHENRT-MJGOQNOKSA-N 2 2 350.459 0.573 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3cccc(F)n3)CC[C@@H]2C1 ZINC001140131111 849356026 /nfs/dbraw/zinc/35/60/26/849356026.db2.gz NQNYQEDEUUADFX-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(F)n3)CC[C@@H]2C1 ZINC001140131111 849356029 /nfs/dbraw/zinc/35/60/29/849356029.db2.gz NQNYQEDEUUADFX-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(F)n3)CC[C@@H]2C1 ZINC001140131111 849356034 /nfs/dbraw/zinc/35/60/34/849356034.db2.gz NQNYQEDEUUADFX-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(F)n3)CC[C@@H]2C1 ZINC001140131111 849356038 /nfs/dbraw/zinc/35/60/38/849356038.db2.gz NQNYQEDEUUADFX-GDBMZVCRSA-N 2 2 350.438 0.832 20 0 FCADLP CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150356267 849662601 /nfs/dbraw/zinc/66/26/01/849662601.db2.gz BYQPUWJAMQZCPI-ARFHVFGLSA-N 2 2 350.463 0.767 20 0 FCADLP CCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001150356267 849662608 /nfs/dbraw/zinc/66/26/08/849662608.db2.gz BYQPUWJAMQZCPI-ARFHVFGLSA-N 2 2 350.463 0.767 20 0 FCADLP COC(CN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O)OC ZINC001277732702 862044087 /nfs/dbraw/zinc/04/40/87/862044087.db2.gz HRLFUYWEKWIXSW-KRWDZBQOSA-N 2 2 350.419 0.678 20 0 FCADLP CCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735027 862050538 /nfs/dbraw/zinc/05/05/38/862050538.db2.gz OHWYNKDHQPNXJP-SJLPKXTDSA-N 2 2 350.463 0.775 20 0 FCADLP CCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001277735027 862050548 /nfs/dbraw/zinc/05/05/48/862050548.db2.gz OHWYNKDHQPNXJP-SJLPKXTDSA-N 2 2 350.463 0.775 20 0 FCADLP CC[N@H+](CC(=O)N1CCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998574 849772851 /nfs/dbraw/zinc/77/28/51/849772851.db2.gz XRFFSEDQBKDSHJ-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@@H+](CC(=O)N1CCCC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998574 849772868 /nfs/dbraw/zinc/77/28/68/849772868.db2.gz XRFFSEDQBKDSHJ-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](CC(=O)N1CCCC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998574 849772882 /nfs/dbraw/zinc/77/28/82/849772882.db2.gz XRFFSEDQBKDSHJ-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[NH+](CC(=O)N1CCCC1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998574 849772894 /nfs/dbraw/zinc/77/28/94/849772894.db2.gz XRFFSEDQBKDSHJ-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+](CC(=O)NCC1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998301 849773938 /nfs/dbraw/zinc/77/39/38/849773938.db2.gz NKWXUMLWLMPNTB-IIAWOOMASA-N 2 2 354.495 0.058 20 0 FCADLP CC[N@@H+](CC(=O)NCC1CC1)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998301 849773946 /nfs/dbraw/zinc/77/39/46/849773946.db2.gz NKWXUMLWLMPNTB-IIAWOOMASA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](CC(=O)NCC1CC1)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998301 849773952 /nfs/dbraw/zinc/77/39/52/849773952.db2.gz NKWXUMLWLMPNTB-IIAWOOMASA-N 2 2 354.495 0.058 20 0 FCADLP CC[NH+](CC(=O)NCC1CC1)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998301 849773958 /nfs/dbraw/zinc/77/39/58/849773958.db2.gz NKWXUMLWLMPNTB-IIAWOOMASA-N 2 2 354.495 0.058 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@@H+]2C1 ZINC001154930695 849822651 /nfs/dbraw/zinc/82/26/51/849822651.db2.gz AONMYCHAGQWURI-ZACQAIPSSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC[NH+](CC(=O)N(C)C)CC3)C[N@H+]2C1 ZINC001154930695 849822661 /nfs/dbraw/zinc/82/26/61/849822661.db2.gz AONMYCHAGQWURI-ZACQAIPSSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC[N@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930695 849822666 /nfs/dbraw/zinc/82/26/66/849822666.db2.gz AONMYCHAGQWURI-ZACQAIPSSA-N 2 2 350.507 0.729 20 0 FCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC[N@@H+](CC(=O)N(C)C)CC3)C[NH+]2C1 ZINC001154930695 849822675 /nfs/dbraw/zinc/82/26/75/849822675.db2.gz AONMYCHAGQWURI-ZACQAIPSSA-N 2 2 350.507 0.729 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001157303409 849961146 /nfs/dbraw/zinc/96/11/46/849961146.db2.gz GZHSUUZPRDYJJW-GJZGRUSLSA-N 3 2 353.467 0.496 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001157303409 849961155 /nfs/dbraw/zinc/96/11/55/849961155.db2.gz GZHSUUZPRDYJJW-GJZGRUSLSA-N 3 2 353.467 0.496 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626596 849985544 /nfs/dbraw/zinc/98/55/44/849985544.db2.gz HMEYAXNFNNTAAX-OKZBNKHCSA-N 3 2 350.507 0.287 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001158000739 850010719 /nfs/dbraw/zinc/01/07/19/850010719.db2.gz ZGEQKMKUPSMWTC-QWHCGFSZSA-N 2 2 357.451 0.189 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnn(C(C)(C)C)n2)CC[N@@H+]1C ZINC001158404519 850047502 /nfs/dbraw/zinc/04/75/02/850047502.db2.gz URJKLTARKUWWCV-UONOGXRCSA-N 2 2 351.499 0.754 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2nnn(C(C)(C)C)n2)CC[N@H+]1C ZINC001158404519 850047513 /nfs/dbraw/zinc/04/75/13/850047513.db2.gz URJKLTARKUWWCV-UONOGXRCSA-N 2 2 351.499 0.754 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001160381791 850169144 /nfs/dbraw/zinc/16/91/44/850169144.db2.gz ZSEFBWGBHNVGCC-CQSZACIVSA-N 2 2 350.467 0.229 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC001160381791 850169150 /nfs/dbraw/zinc/16/91/50/850169150.db2.gz ZSEFBWGBHNVGCC-CQSZACIVSA-N 2 2 350.467 0.229 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794387 862099975 /nfs/dbraw/zinc/09/99/75/862099975.db2.gz HXOPSDHQRJFYJO-WMZOPIPTSA-N 2 2 350.463 0.630 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794387 862099993 /nfs/dbraw/zinc/09/99/93/862099993.db2.gz HXOPSDHQRJFYJO-WMZOPIPTSA-N 2 2 350.463 0.630 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(c2noc(C(F)(F)F)n2)CC1 ZINC001160548508 850180467 /nfs/dbraw/zinc/18/04/67/850180467.db2.gz HLPCBGBIDKJLOQ-GARJFASQSA-N 2 2 359.352 0.744 20 0 FCADLP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726836 850195357 /nfs/dbraw/zinc/19/53/57/850195357.db2.gz XQCVBRNBJWKATQ-OAHLLOKOSA-N 2 2 366.487 0.461 20 0 FCADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CC(F)(F)C3)C[C@H]1C2 ZINC001160791955 850198475 /nfs/dbraw/zinc/19/84/75/850198475.db2.gz JIBZXGIYTVJWMK-SMTWKSNJSA-N 2 2 357.401 0.088 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc3c(o2)CCCC3)O1 ZINC001160851233 850204774 /nfs/dbraw/zinc/20/47/74/850204774.db2.gz SSVWMZRHILSOBK-CZUORRHYSA-N 2 2 350.463 0.868 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2nc3c(o2)CCCC3)O1 ZINC001160851233 850204786 /nfs/dbraw/zinc/20/47/86/850204786.db2.gz SSVWMZRHILSOBK-CZUORRHYSA-N 2 2 350.463 0.868 20 0 FCADLP Nc1c[nH]nc1C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161201514 850238942 /nfs/dbraw/zinc/23/89/42/850238942.db2.gz LXAVKGZTZNYRCL-UHFFFAOYSA-N 2 2 350.467 0.156 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCn2ncc(Br)c2C1 ZINC001161523191 850267566 /nfs/dbraw/zinc/26/75/66/850267566.db2.gz KIWLWQLKEXJSJP-NSHDSACASA-N 2 2 353.224 0.291 20 0 FCADLP COC(=O)[C@@H](Nc1ccc(OCC[NH+]2CCOCC2)nc1)C(C)(C)[NH3+] ZINC001162957135 850341041 /nfs/dbraw/zinc/34/10/41/850341041.db2.gz YHDOEGBPFJLYCS-OAHLLOKOSA-N 2 2 352.435 0.483 20 0 FCADLP CS(=O)(=O)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165592932 850450563 /nfs/dbraw/zinc/45/05/63/850450563.db2.gz FJSDHUAZWOKMPO-CHWSQXEVSA-N 2 2 354.476 0.434 20 0 FCADLP CS(=O)(=O)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165592932 850450567 /nfs/dbraw/zinc/45/05/67/850450567.db2.gz FJSDHUAZWOKMPO-CHWSQXEVSA-N 2 2 354.476 0.434 20 0 FCADLP Cc1nnc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)s1 ZINC001165711437 850453472 /nfs/dbraw/zinc/45/34/72/850453472.db2.gz OMUGOEXLNXULLJ-TZMCWYRMSA-N 2 2 367.519 0.942 20 0 FCADLP Cc1nnc(C[NH2+]CC2(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)s1 ZINC001165711437 850453479 /nfs/dbraw/zinc/45/34/79/850453479.db2.gz OMUGOEXLNXULLJ-TZMCWYRMSA-N 2 2 367.519 0.942 20 0 FCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC1CN(S(C)(=O)=O)C1 ZINC001168220815 850576887 /nfs/dbraw/zinc/57/68/87/850576887.db2.gz WCQOTSIPMAKFJB-UHFFFAOYSA-N 2 2 354.480 0.016 20 0 FCADLP CCOC(=O)Cc1cnc(SC)nc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735625 850592762 /nfs/dbraw/zinc/59/27/62/850592762.db2.gz BUIAVPOVBCZHTP-UHFFFAOYSA-N 2 2 352.464 0.898 20 0 FCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1c2[nH+]ccn2ccc1I ZINC001170778328 850664890 /nfs/dbraw/zinc/66/48/90/850664890.db2.gz LIGWINNMQQKSJF-WPRPVWTQSA-N 2 2 358.183 0.931 20 0 FCADLP CCN1C[C@@]23C[N@@H+]([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119677 850704452 /nfs/dbraw/zinc/70/44/52/850704452.db2.gz YTYJIJKJFXEPLK-YLALRLGGSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[N@H+]([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119677 850704454 /nfs/dbraw/zinc/70/44/54/850704454.db2.gz YTYJIJKJFXEPLK-YLALRLGGSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119677 850704459 /nfs/dbraw/zinc/70/44/59/850704459.db2.gz YTYJIJKJFXEPLK-YLALRLGGSA-N 2 2 369.531 0.879 20 0 FCADLP CCN1C[C@@]23C[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001172119677 850704464 /nfs/dbraw/zinc/70/44/64/850704464.db2.gz YTYJIJKJFXEPLK-YLALRLGGSA-N 2 2 369.531 0.879 20 0 FCADLP CCSC[C@@H](C)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001173302629 850719478 /nfs/dbraw/zinc/71/94/78/850719478.db2.gz SXRZYUIOIMUYGG-XBFCOCLRSA-N 2 2 353.492 0.543 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001180389427 851034034 /nfs/dbraw/zinc/03/40/34/851034034.db2.gz XGBAENZELZDCAZ-MAUKXSAKSA-N 2 2 355.479 0.583 20 0 FCADLP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001184470101 851310354 /nfs/dbraw/zinc/31/03/54/851310354.db2.gz ZBLJDSYQPNMHHT-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP CC(C)([NH3+])CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)S(=O)(=O)c1ccccc1 ZINC001186054507 851408483 /nfs/dbraw/zinc/40/84/83/851408483.db2.gz FKATVGXCUMXPIH-CYBMUJFWSA-N 2 2 355.460 0.008 20 0 FCADLP CC(C)([NH3+])CN(C(=O)C[N@H+]1CC[C@@H](O)C1)S(=O)(=O)c1ccccc1 ZINC001186054507 851408496 /nfs/dbraw/zinc/40/84/96/851408496.db2.gz FKATVGXCUMXPIH-CYBMUJFWSA-N 2 2 355.460 0.008 20 0 FCADLP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)CCCC1 ZINC001188690389 851720496 /nfs/dbraw/zinc/72/04/96/851720496.db2.gz LACRIYVTYOKFIU-JKSUJKDBSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)CCCC1 ZINC001188690389 851720499 /nfs/dbraw/zinc/72/04/99/851720499.db2.gz LACRIYVTYOKFIU-JKSUJKDBSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCc3cccs3)C[C@H]21 ZINC001189055393 851746388 /nfs/dbraw/zinc/74/63/88/851746388.db2.gz SZCQELUVPSGOAD-GOEBONIOSA-N 2 2 364.515 0.849 20 0 FCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCc3cccs3)C[C@H]21 ZINC001189055393 851746397 /nfs/dbraw/zinc/74/63/97/851746397.db2.gz SZCQELUVPSGOAD-GOEBONIOSA-N 2 2 364.515 0.849 20 0 FCADLP COCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001278276156 862286050 /nfs/dbraw/zinc/28/60/50/862286050.db2.gz GGUPBJLLOOSBPI-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP COCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001278276156 862286067 /nfs/dbraw/zinc/28/60/67/862286067.db2.gz GGUPBJLLOOSBPI-KSZLIROESA-N 2 2 351.491 0.809 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992996 851852341 /nfs/dbraw/zinc/85/23/41/851852341.db2.gz XFGTVVIOEXJPNJ-DOTOQJQBSA-N 2 2 350.463 0.548 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001189992996 851852351 /nfs/dbraw/zinc/85/23/51/851852351.db2.gz XFGTVVIOEXJPNJ-DOTOQJQBSA-N 2 2 350.463 0.548 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351317 851895264 /nfs/dbraw/zinc/89/52/64/851895264.db2.gz VBNKVTBETIOSBX-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351317 851895267 /nfs/dbraw/zinc/89/52/67/851895267.db2.gz VBNKVTBETIOSBX-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351317 851895271 /nfs/dbraw/zinc/89/52/71/851895271.db2.gz VBNKVTBETIOSBX-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351317 851895274 /nfs/dbraw/zinc/89/52/74/851895274.db2.gz VBNKVTBETIOSBX-JKSUJKDBSA-N 2 2 354.495 0.012 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001193620250 852462078 /nfs/dbraw/zinc/46/20/78/852462078.db2.gz VTKGKYVWXSYRQG-IXDOHACOSA-N 2 2 350.463 0.445 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1O ZINC001193620250 852462082 /nfs/dbraw/zinc/46/20/82/852462082.db2.gz VTKGKYVWXSYRQG-IXDOHACOSA-N 2 2 350.463 0.445 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cs1 ZINC001193780822 852486988 /nfs/dbraw/zinc/48/69/88/852486988.db2.gz FCHNNEKOYWFIFT-OAGGEKHMSA-N 2 2 352.504 0.496 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+](C)C)C2)cs1 ZINC001193780822 852486991 /nfs/dbraw/zinc/48/69/91/852486991.db2.gz FCHNNEKOYWFIFT-OAGGEKHMSA-N 2 2 352.504 0.496 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cs1 ZINC001193821709 852494562 /nfs/dbraw/zinc/49/45/62/852494562.db2.gz QKBGNGIKBJSNOV-HZPDHXFCSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)cs1 ZINC001193821709 852494566 /nfs/dbraw/zinc/49/45/66/852494566.db2.gz QKBGNGIKBJSNOV-HZPDHXFCSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)cs1 ZINC001193821709 852494571 /nfs/dbraw/zinc/49/45/71/852494571.db2.gz QKBGNGIKBJSNOV-HZPDHXFCSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)cs1 ZINC001193821709 852494573 /nfs/dbraw/zinc/49/45/73/852494573.db2.gz QKBGNGIKBJSNOV-HZPDHXFCSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001193901659 852503651 /nfs/dbraw/zinc/50/36/51/852503651.db2.gz JCVFBEXLGSKKJV-ARFHVFGLSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001193901659 852503660 /nfs/dbraw/zinc/50/36/60/852503660.db2.gz JCVFBEXLGSKKJV-ARFHVFGLSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001193901659 852503666 /nfs/dbraw/zinc/50/36/66/852503666.db2.gz JCVFBEXLGSKKJV-ARFHVFGLSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001193901659 852503669 /nfs/dbraw/zinc/50/36/69/852503669.db2.gz JCVFBEXLGSKKJV-ARFHVFGLSA-N 2 2 350.463 0.827 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2O)c[nH+]1 ZINC001194063771 852533490 /nfs/dbraw/zinc/53/34/90/852533490.db2.gz RLFHTCZBDGNPRA-HZPDHXFCSA-N 2 2 352.479 0.903 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2O)c[nH+]1 ZINC001194063771 852533503 /nfs/dbraw/zinc/53/35/03/852533503.db2.gz RLFHTCZBDGNPRA-HZPDHXFCSA-N 2 2 352.479 0.903 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251776 852566542 /nfs/dbraw/zinc/56/65/42/852566542.db2.gz SCUOULQVLFFQIF-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251776 852566546 /nfs/dbraw/zinc/56/65/46/852566546.db2.gz SCUOULQVLFFQIF-USXIJHARSA-N 2 2 350.463 0.424 20 0 FCADLP CC(C)COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251264 852566680 /nfs/dbraw/zinc/56/66/80/852566680.db2.gz MOLTWRLPGVKJDN-DJIMGWMZSA-N 2 2 350.463 0.279 20 0 FCADLP CC(C)COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251264 852566685 /nfs/dbraw/zinc/56/66/85/852566685.db2.gz MOLTWRLPGVKJDN-DJIMGWMZSA-N 2 2 350.463 0.279 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265078 852569330 /nfs/dbraw/zinc/56/93/30/852569330.db2.gz MMWSDDQNHZDPRM-RBSFLKMASA-N 2 2 356.511 0.133 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265078 852569337 /nfs/dbraw/zinc/56/93/37/852569337.db2.gz MMWSDDQNHZDPRM-RBSFLKMASA-N 2 2 356.511 0.133 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1O ZINC001194265078 852569338 /nfs/dbraw/zinc/56/93/38/852569338.db2.gz MMWSDDQNHZDPRM-RBSFLKMASA-N 2 2 356.511 0.133 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399739 852592255 /nfs/dbraw/zinc/59/22/55/852592255.db2.gz RWGFWDUJFXPORA-YNEHKIRRSA-N 2 2 365.396 0.089 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399739 852592260 /nfs/dbraw/zinc/59/22/60/852592260.db2.gz RWGFWDUJFXPORA-YNEHKIRRSA-N 2 2 365.396 0.089 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c(F)c2)CC1 ZINC001194541232 852613262 /nfs/dbraw/zinc/61/32/62/852613262.db2.gz DIRDVRFFUMVDHL-OAHLLOKOSA-N 2 2 350.438 0.638 20 0 FCADLP C[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c(F)c2)CC1 ZINC001194541232 852613269 /nfs/dbraw/zinc/61/32/69/852613269.db2.gz DIRDVRFFUMVDHL-OAHLLOKOSA-N 2 2 350.438 0.638 20 0 FCADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)s1 ZINC001278584294 862380915 /nfs/dbraw/zinc/38/09/15/862380915.db2.gz XEJPJGAYNRVJPB-GJZGRUSLSA-N 2 2 353.488 0.981 20 0 FCADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)s1 ZINC001278584294 862380931 /nfs/dbraw/zinc/38/09/31/862380931.db2.gz XEJPJGAYNRVJPB-GJZGRUSLSA-N 2 2 353.488 0.981 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195870737 852837503 /nfs/dbraw/zinc/83/75/03/852837503.db2.gz KZTGYXDMMKMLKK-OWCLPIDISA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1O ZINC001195870737 852837511 /nfs/dbraw/zinc/83/75/11/852837511.db2.gz KZTGYXDMMKMLKK-OWCLPIDISA-N 2 2 357.401 0.111 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893214 852843643 /nfs/dbraw/zinc/84/36/43/852843643.db2.gz BNZAGOPBKHAJJA-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893214 852843647 /nfs/dbraw/zinc/84/36/47/852843647.db2.gz BNZAGOPBKHAJJA-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893214 852843650 /nfs/dbraw/zinc/84/36/50/852843650.db2.gz BNZAGOPBKHAJJA-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893214 852843654 /nfs/dbraw/zinc/84/36/54/852843654.db2.gz BNZAGOPBKHAJJA-HZPDHXFCSA-N 2 2 359.536 0.686 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637927 852990400 /nfs/dbraw/zinc/99/04/00/852990400.db2.gz POYORNGVXJFNHS-RBSFLKMASA-N 2 2 363.449 0.694 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1O)[NH+]1CCCCCC1 ZINC001196637927 852990409 /nfs/dbraw/zinc/99/04/09/852990409.db2.gz POYORNGVXJFNHS-RBSFLKMASA-N 2 2 363.449 0.694 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493676 853123127 /nfs/dbraw/zinc/12/31/27/853123127.db2.gz XKOSMQHKDRGSGG-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493676 853123132 /nfs/dbraw/zinc/12/31/32/853123132.db2.gz XKOSMQHKDRGSGG-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493676 853123138 /nfs/dbraw/zinc/12/31/38/853123138.db2.gz XKOSMQHKDRGSGG-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493676 853123144 /nfs/dbraw/zinc/12/31/44/853123144.db2.gz XKOSMQHKDRGSGG-NUEKZKHPSA-N 2 2 356.511 0.183 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197792048 853161663 /nfs/dbraw/zinc/16/16/63/853161663.db2.gz INTSNZGJCHBFMS-CHWSQXEVSA-N 2 2 364.368 0.093 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1O ZINC001197792048 853161671 /nfs/dbraw/zinc/16/16/71/853161671.db2.gz INTSNZGJCHBFMS-CHWSQXEVSA-N 2 2 364.368 0.093 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1F ZINC001197826200 853169311 /nfs/dbraw/zinc/16/93/11/853169311.db2.gz QIXZRSAVKWJZGL-IAGOWNOFSA-N 2 2 353.438 0.374 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cc1F ZINC001197826200 853169317 /nfs/dbraw/zinc/16/93/17/853169317.db2.gz QIXZRSAVKWJZGL-IAGOWNOFSA-N 2 2 353.438 0.374 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001198292868 853246673 /nfs/dbraw/zinc/24/66/73/853246673.db2.gz UGJLSIHUIASXMC-BRWVUGGUSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001198292868 853246676 /nfs/dbraw/zinc/24/66/76/853246676.db2.gz UGJLSIHUIASXMC-BRWVUGGUSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001198292801 853246840 /nfs/dbraw/zinc/24/68/40/853246840.db2.gz RSHQDAPISWKFSC-ARFHVFGLSA-N 2 2 350.463 0.329 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001198292801 853246843 /nfs/dbraw/zinc/24/68/43/853246843.db2.gz RSHQDAPISWKFSC-ARFHVFGLSA-N 2 2 350.463 0.329 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)on1 ZINC001199346786 853411719 /nfs/dbraw/zinc/41/17/19/853411719.db2.gz WBNAIIIWGCQESN-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)on1 ZINC001199346786 853411723 /nfs/dbraw/zinc/41/17/23/853411723.db2.gz WBNAIIIWGCQESN-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001199353955 853412926 /nfs/dbraw/zinc/41/29/26/853412926.db2.gz KXNBITKUDZCZKJ-BRWVUGGUSA-N 2 2 350.463 0.784 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001199353955 853412927 /nfs/dbraw/zinc/41/29/27/853412927.db2.gz KXNBITKUDZCZKJ-BRWVUGGUSA-N 2 2 350.463 0.784 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370270 853414709 /nfs/dbraw/zinc/41/47/09/853414709.db2.gz SNGDRPFPESJHLQ-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370270 853414721 /nfs/dbraw/zinc/41/47/21/853414721.db2.gz SNGDRPFPESJHLQ-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP CC1(C)CO[C@H](C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001199397830 853418943 /nfs/dbraw/zinc/41/89/43/853418943.db2.gz CRFOVVJAGFHMRO-ARFHVFGLSA-N 2 2 350.463 0.640 20 0 FCADLP CC1(C)CO[C@H](C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001199397830 853418949 /nfs/dbraw/zinc/41/89/49/853418949.db2.gz CRFOVVJAGFHMRO-ARFHVFGLSA-N 2 2 350.463 0.640 20 0 FCADLP CC(C)(O)CC[NH+]1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC001199948388 853467127 /nfs/dbraw/zinc/46/71/27/853467127.db2.gz SOCUWZMGRIYYMP-UHFFFAOYSA-N 2 2 358.552 0.362 20 0 FCADLP COC(=O)CCCS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001201906466 853556389 /nfs/dbraw/zinc/55/63/89/853556389.db2.gz WVSZYQDYUCXNNO-UHFFFAOYSA-N 2 2 356.448 0.528 20 0 FCADLP COC(C[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1)OC ZINC001207249219 853794527 /nfs/dbraw/zinc/79/45/27/853794527.db2.gz LQPQTENHTYYNGN-UHFFFAOYSA-N 2 2 353.467 0.715 20 0 FCADLP COC(C[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1)OC ZINC001207249219 853794534 /nfs/dbraw/zinc/79/45/34/853794534.db2.gz LQPQTENHTYYNGN-UHFFFAOYSA-N 2 2 353.467 0.715 20 0 FCADLP CN(C)C(=O)COCc1nnc2n1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397020 853809168 /nfs/dbraw/zinc/80/91/68/853809168.db2.gz CCFXFOPMYXYONA-UHFFFAOYSA-N 2 2 350.467 0.040 20 0 FCADLP CN(C)C(=O)COCc1nnc2n1CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397020 853809173 /nfs/dbraw/zinc/80/91/73/853809173.db2.gz CCFXFOPMYXYONA-UHFFFAOYSA-N 2 2 350.467 0.040 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207538986 853821136 /nfs/dbraw/zinc/82/11/36/853821136.db2.gz WKKKWFDAKPDJER-GDBMZVCRSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207538986 853821139 /nfs/dbraw/zinc/82/11/39/853821139.db2.gz WKKKWFDAKPDJER-GDBMZVCRSA-N 2 2 350.507 0.824 20 0 FCADLP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)CS(C)(=O)=O ZINC001207540893 853822359 /nfs/dbraw/zinc/82/23/59/853822359.db2.gz KJCJMTDDTSDEBO-RBSFLKMASA-N 2 2 359.536 0.588 20 0 FCADLP C[C@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)CS(C)(=O)=O ZINC001207540893 853822362 /nfs/dbraw/zinc/82/23/62/853822362.db2.gz KJCJMTDDTSDEBO-RBSFLKMASA-N 2 2 359.536 0.588 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001207708302 853845329 /nfs/dbraw/zinc/84/53/29/853845329.db2.gz CDQKBTWMYQYYCJ-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001207708302 853845333 /nfs/dbraw/zinc/84/53/33/853845333.db2.gz CDQKBTWMYQYYCJ-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001207708302 853845337 /nfs/dbraw/zinc/84/53/37/853845337.db2.gz CDQKBTWMYQYYCJ-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001207708302 853845341 /nfs/dbraw/zinc/84/53/41/853845341.db2.gz CDQKBTWMYQYYCJ-DJIMGWMZSA-N 2 2 350.507 0.776 20 0 FCADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(CC[NH+](C)C)C2 ZINC001208127854 853899058 /nfs/dbraw/zinc/89/90/58/853899058.db2.gz XZWNAIJQTQELNX-INIZCTEOSA-N 2 2 351.495 0.230 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281319 853912854 /nfs/dbraw/zinc/91/28/54/853912854.db2.gz CRLZJNYIHAOFLM-HUUCEWRRSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001208281319 853912856 /nfs/dbraw/zinc/91/28/56/853912856.db2.gz CRLZJNYIHAOFLM-HUUCEWRRSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405247 853927591 /nfs/dbraw/zinc/92/75/91/853927591.db2.gz PCFGERFMBFTFQM-BZUAXINKSA-N 2 2 354.495 0.057 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405247 853927594 /nfs/dbraw/zinc/92/75/94/853927594.db2.gz PCFGERFMBFTFQM-BZUAXINKSA-N 2 2 354.495 0.057 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405247 853927598 /nfs/dbraw/zinc/92/75/98/853927598.db2.gz PCFGERFMBFTFQM-BZUAXINKSA-N 2 2 354.495 0.057 20 0 FCADLP CC(C)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405247 853927603 /nfs/dbraw/zinc/92/76/03/853927603.db2.gz PCFGERFMBFTFQM-BZUAXINKSA-N 2 2 354.495 0.057 20 0 FCADLP COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208669601 853965681 /nfs/dbraw/zinc/96/56/81/853965681.db2.gz CYINHZRFOBNFPX-ZACQAIPSSA-N 2 2 355.479 0.093 20 0 FCADLP COCOCCC[N@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001209025977 853991281 /nfs/dbraw/zinc/99/12/81/853991281.db2.gz KGNXDIXNBPJRGT-QGZVFWFLSA-N 2 2 351.495 0.573 20 0 FCADLP COCOCCC[N@@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001209025977 853991287 /nfs/dbraw/zinc/99/12/87/853991287.db2.gz KGNXDIXNBPJRGT-QGZVFWFLSA-N 2 2 351.495 0.573 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001209635728 854042630 /nfs/dbraw/zinc/04/26/30/854042630.db2.gz WBHGUGVVHJBITL-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001209635728 854042634 /nfs/dbraw/zinc/04/26/34/854042634.db2.gz WBHGUGVVHJBITL-OWCLPIDISA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366613 854181915 /nfs/dbraw/zinc/18/19/15/854181915.db2.gz FZASQSAYRYKUMZ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366613 854181917 /nfs/dbraw/zinc/18/19/17/854181917.db2.gz FZASQSAYRYKUMZ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366613 854181920 /nfs/dbraw/zinc/18/19/20/854181920.db2.gz FZASQSAYRYKUMZ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001211366613 854181923 /nfs/dbraw/zinc/18/19/23/854181923.db2.gz FZASQSAYRYKUMZ-BZUAXINKSA-N 2 2 359.536 0.732 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001211450387 854200452 /nfs/dbraw/zinc/20/04/52/854200452.db2.gz XOINAVIBCOBZFM-ARFHVFGLSA-N 2 2 370.519 0.781 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1)CS(C)(=O)=O ZINC001211450387 854200460 /nfs/dbraw/zinc/20/04/60/854200460.db2.gz XOINAVIBCOBZFM-ARFHVFGLSA-N 2 2 370.519 0.781 20 0 FCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301406 854432428 /nfs/dbraw/zinc/43/24/28/854432428.db2.gz QNBVPDBKNLOCNG-HZPDHXFCSA-N 2 2 350.463 0.614 20 0 FCADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](OC)C1 ZINC001212301406 854432434 /nfs/dbraw/zinc/43/24/34/854432434.db2.gz QNBVPDBKNLOCNG-HZPDHXFCSA-N 2 2 350.463 0.614 20 0 FCADLP CO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406064 854465194 /nfs/dbraw/zinc/46/51/94/854465194.db2.gz IRAKBHODGLILDI-BRWVUGGUSA-N 2 2 351.495 0.675 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001212406064 854465195 /nfs/dbraw/zinc/46/51/95/854465195.db2.gz IRAKBHODGLILDI-BRWVUGGUSA-N 2 2 351.495 0.675 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408722 854467147 /nfs/dbraw/zinc/46/71/47/854467147.db2.gz ZSCUEKVAYGZMQM-QLFBSQMISA-N 2 2 354.495 0.330 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408722 854467149 /nfs/dbraw/zinc/46/71/49/854467149.db2.gz ZSCUEKVAYGZMQM-QLFBSQMISA-N 2 2 354.495 0.330 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410915 854468712 /nfs/dbraw/zinc/46/87/12/854468712.db2.gz YTJRRJIRGLFWIU-BFYDXBDKSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410915 854468714 /nfs/dbraw/zinc/46/87/14/854468714.db2.gz YTJRRJIRGLFWIU-BFYDXBDKSA-N 2 2 354.495 0.009 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346489 854583073 /nfs/dbraw/zinc/58/30/73/854583073.db2.gz PFGNUGKPQKGVNO-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346489 854583085 /nfs/dbraw/zinc/58/30/85/854583085.db2.gz PFGNUGKPQKGVNO-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374368 854592748 /nfs/dbraw/zinc/59/27/48/854592748.db2.gz DFTQXIATRTXYBD-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374368 854592754 /nfs/dbraw/zinc/59/27/54/854592754.db2.gz DFTQXIATRTXYBD-ARFHVFGLSA-N 2 2 356.511 0.304 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434848 854614014 /nfs/dbraw/zinc/61/40/14/854614014.db2.gz NJFLENOKUKIUMV-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC)[NH+](CC)CC ZINC001213434848 854614024 /nfs/dbraw/zinc/61/40/24/854614024.db2.gz NJFLENOKUKIUMV-BZUAXINKSA-N 2 2 356.511 0.447 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC)[NH+](C)C ZINC001213455620 854624501 /nfs/dbraw/zinc/62/45/01/854624501.db2.gz FUFHDWSRITVBAF-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC)[NH+](C)C ZINC001213455620 854624504 /nfs/dbraw/zinc/62/45/04/854624504.db2.gz FUFHDWSRITVBAF-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1OC)[NH+](C)C ZINC001213460584 854627193 /nfs/dbraw/zinc/62/71/93/854627193.db2.gz ULHMIOXGGSIUQL-FRRDWIJNSA-N 2 2 355.401 0.721 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1OC)[NH+](C)C ZINC001213460584 854627196 /nfs/dbraw/zinc/62/71/96/854627196.db2.gz ULHMIOXGGSIUQL-FRRDWIJNSA-N 2 2 355.401 0.721 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581001 854674553 /nfs/dbraw/zinc/67/45/53/854674553.db2.gz LYJWYPIOKHVABR-HZPDHXFCSA-N 2 2 353.488 0.786 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213581001 854674556 /nfs/dbraw/zinc/67/45/56/854674556.db2.gz LYJWYPIOKHVABR-HZPDHXFCSA-N 2 2 353.488 0.786 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213588547 854677057 /nfs/dbraw/zinc/67/70/57/854677057.db2.gz LBHXJFFGUFSPKE-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213588547 854677037 /nfs/dbraw/zinc/67/70/37/854677037.db2.gz LBHXJFFGUFSPKE-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213588547 854677045 /nfs/dbraw/zinc/67/70/45/854677045.db2.gz LBHXJFFGUFSPKE-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001213588547 854677052 /nfs/dbraw/zinc/67/70/52/854677052.db2.gz LBHXJFFGUFSPKE-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598543 854680540 /nfs/dbraw/zinc/68/05/40/854680540.db2.gz ILKUDZJFZCNBKC-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598543 854680543 /nfs/dbraw/zinc/68/05/43/854680543.db2.gz ILKUDZJFZCNBKC-BZUAXINKSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719295 854733729 /nfs/dbraw/zinc/73/37/29/854733729.db2.gz WKYXQAQQAKMIMD-HUUCEWRRSA-N 2 2 356.492 0.345 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719295 854733733 /nfs/dbraw/zinc/73/37/33/854733733.db2.gz WKYXQAQQAKMIMD-HUUCEWRRSA-N 2 2 356.492 0.345 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719376 854733841 /nfs/dbraw/zinc/73/38/41/854733841.db2.gz ZZGWCQFZHJMKCH-HZPDHXFCSA-N 2 2 354.451 0.185 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719376 854733844 /nfs/dbraw/zinc/73/38/44/854733844.db2.gz ZZGWCQFZHJMKCH-HZPDHXFCSA-N 2 2 354.451 0.185 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759436 854755119 /nfs/dbraw/zinc/75/51/19/854755119.db2.gz LGHSXTPYWFQNHD-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759436 854755126 /nfs/dbraw/zinc/75/51/26/854755126.db2.gz LGHSXTPYWFQNHD-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001213759436 854755138 /nfs/dbraw/zinc/75/51/38/854755138.db2.gz LGHSXTPYWFQNHD-RRFJBIMHSA-N 2 2 356.511 0.447 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765123 854758655 /nfs/dbraw/zinc/75/86/55/854758655.db2.gz VGUBGZSOSHPLML-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765123 854758659 /nfs/dbraw/zinc/75/86/59/854758659.db2.gz VGUBGZSOSHPLML-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765123 854758666 /nfs/dbraw/zinc/75/86/66/854758666.db2.gz VGUBGZSOSHPLML-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001213765123 854758669 /nfs/dbraw/zinc/75/86/69/854758669.db2.gz VGUBGZSOSHPLML-BZUAXINKSA-N 2 2 354.495 0.155 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213767512 854760206 /nfs/dbraw/zinc/76/02/06/854760206.db2.gz XHSRAPQCGYPLNL-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213767512 854760212 /nfs/dbraw/zinc/76/02/12/854760212.db2.gz XHSRAPQCGYPLNL-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213767512 854760218 /nfs/dbraw/zinc/76/02/18/854760218.db2.gz XHSRAPQCGYPLNL-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213767512 854760224 /nfs/dbraw/zinc/76/02/24/854760224.db2.gz XHSRAPQCGYPLNL-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801750 854774090 /nfs/dbraw/zinc/77/40/90/854774090.db2.gz BUNPRKIGDWTJQG-USXIJHARSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213801750 854774095 /nfs/dbraw/zinc/77/40/95/854774095.db2.gz BUNPRKIGDWTJQG-USXIJHARSA-N 2 2 350.463 0.595 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213859491 854795030 /nfs/dbraw/zinc/79/50/30/854795030.db2.gz DPMUMHAZAQPARB-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001213859491 854795036 /nfs/dbraw/zinc/79/50/36/854795036.db2.gz DPMUMHAZAQPARB-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213859491 854795041 /nfs/dbraw/zinc/79/50/41/854795041.db2.gz DPMUMHAZAQPARB-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213859491 854795043 /nfs/dbraw/zinc/79/50/43/854795043.db2.gz DPMUMHAZAQPARB-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860326 854796655 /nfs/dbraw/zinc/79/66/55/854796655.db2.gz ZMTJUTZAHNERTR-CHWSQXEVSA-N 2 2 364.368 0.586 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001213860326 854796661 /nfs/dbraw/zinc/79/66/61/854796661.db2.gz ZMTJUTZAHNERTR-CHWSQXEVSA-N 2 2 364.368 0.586 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001213892375 854813950 /nfs/dbraw/zinc/81/39/50/854813950.db2.gz CHYIUQBHVJCPIX-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001213892375 854813956 /nfs/dbraw/zinc/81/39/56/854813956.db2.gz CHYIUQBHVJCPIX-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001213892375 854813961 /nfs/dbraw/zinc/81/39/61/854813961.db2.gz CHYIUQBHVJCPIX-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001213892375 854813966 /nfs/dbraw/zinc/81/39/66/854813966.db2.gz CHYIUQBHVJCPIX-BRWVUGGUSA-N 2 2 357.495 0.339 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001214950223 855038752 /nfs/dbraw/zinc/03/87/52/855038752.db2.gz NBQOLWBGTUGQRS-GDBMZVCRSA-N 2 2 351.447 0.732 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988094 855048518 /nfs/dbraw/zinc/04/85/18/855048518.db2.gz IXIMJEZVWMSVDA-BFYDXBDKSA-N 2 2 350.463 0.545 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001215001528 855050432 /nfs/dbraw/zinc/05/04/32/855050432.db2.gz LSXQXOOSLAAZRW-CHWSQXEVSA-N 2 2 352.483 0.802 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001215001528 855050440 /nfs/dbraw/zinc/05/04/40/855050440.db2.gz LSXQXOOSLAAZRW-CHWSQXEVSA-N 2 2 352.483 0.802 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C)C(=O)N(C)C ZINC001215024096 855053372 /nfs/dbraw/zinc/05/33/72/855053372.db2.gz GOOSUKLTUTVTLQ-TYNCELHUSA-N 2 2 351.451 0.263 20 0 FCADLP CC[N@@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC001215452680 855117240 /nfs/dbraw/zinc/11/72/40/855117240.db2.gz UWQPFNYOTVHNIX-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP CC[N@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC001215452680 855117244 /nfs/dbraw/zinc/11/72/44/855117244.db2.gz UWQPFNYOTVHNIX-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215973193 855162410 /nfs/dbraw/zinc/16/24/10/855162410.db2.gz XFVPQWCVGGYMJN-HZPDHXFCSA-N 2 2 361.552 0.980 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001215973193 855162414 /nfs/dbraw/zinc/16/24/14/855162414.db2.gz XFVPQWCVGGYMJN-HZPDHXFCSA-N 2 2 361.552 0.980 20 0 FCADLP Cc1csc(NC(=O)C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)n1 ZINC001216061936 855167360 /nfs/dbraw/zinc/16/73/60/855167360.db2.gz TVXXGPAUUQQBHC-ZYHUDNBSSA-N 2 2 362.459 0.792 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC001216392645 855198677 /nfs/dbraw/zinc/19/86/77/855198677.db2.gz KMTCJICVCIMQCO-HYVNUMGLSA-N 2 2 350.463 0.595 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n1 ZINC001216463802 855205094 /nfs/dbraw/zinc/20/50/94/855205094.db2.gz IZBKJIHUVKGLRL-ZIAGYGMSSA-N 2 2 353.467 0.884 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001216565393 855212320 /nfs/dbraw/zinc/21/23/20/855212320.db2.gz KCNCLXUBVRXDQL-UKPHBRMFSA-N 2 2 350.463 0.893 20 0 FCADLP COCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803324 855247243 /nfs/dbraw/zinc/24/72/43/855247243.db2.gz VIHAQBFCHGZHBL-KBAYOESNSA-N 2 2 353.507 0.960 20 0 FCADLP COC(=O)c1nc(Br)cnc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218524066 855433974 /nfs/dbraw/zinc/43/39/74/855433974.db2.gz ILUOITIYQMCHRX-UHFFFAOYSA-N 2 2 358.196 0.045 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582182 855443653 /nfs/dbraw/zinc/44/36/53/855443653.db2.gz NXBKQOUEPUCUEV-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582182 855443658 /nfs/dbraw/zinc/44/36/58/855443658.db2.gz NXBKQOUEPUCUEV-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cnc3c(Cl)nc(Br)cn23)C1 ZINC001218761575 855476306 /nfs/dbraw/zinc/47/63/06/855476306.db2.gz USRDQFOLFVDPMO-WDSKDSINSA-N 2 2 359.615 0.773 20 0 FCADLP COC(=O)[C@@H]([NH3+])CCC(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001218861677 855487398 /nfs/dbraw/zinc/48/73/98/855487398.db2.gz MBSDNBZCTWLACY-ZDUSSCGKSA-N 2 2 352.410 0.797 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219006543 855510459 /nfs/dbraw/zinc/51/04/59/855510459.db2.gz OWWYIRCGKGXURW-ZNMIVQPWSA-N 2 2 361.433 0.664 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219006543 855510467 /nfs/dbraw/zinc/51/04/67/855510467.db2.gz OWWYIRCGKGXURW-ZNMIVQPWSA-N 2 2 361.433 0.664 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219006543 855510475 /nfs/dbraw/zinc/51/04/75/855510475.db2.gz OWWYIRCGKGXURW-ZNMIVQPWSA-N 2 2 361.433 0.664 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)C[C@@H]21 ZINC001219006543 855510483 /nfs/dbraw/zinc/51/04/83/855510483.db2.gz OWWYIRCGKGXURW-ZNMIVQPWSA-N 2 2 361.433 0.664 20 0 FCADLP CCCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033362 855518551 /nfs/dbraw/zinc/51/85/51/855518551.db2.gz HMXOPGBUZWRDQH-DLBZAZTESA-N 2 2 350.463 0.920 20 0 FCADLP CCCCOCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033362 855518555 /nfs/dbraw/zinc/51/85/55/855518555.db2.gz HMXOPGBUZWRDQH-DLBZAZTESA-N 2 2 350.463 0.920 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccccc1OC(F)(F)F ZINC001219575291 855720764 /nfs/dbraw/zinc/72/07/64/855720764.db2.gz HZRFOPUYDDWJMM-CYBMUJFWSA-N 2 2 360.380 0.952 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001219731732 855790779 /nfs/dbraw/zinc/79/07/79/855790779.db2.gz HJPUKEMMRKRJLE-OAGGEKHMSA-N 2 2 356.442 0.633 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001219731732 855790784 /nfs/dbraw/zinc/79/07/84/855790784.db2.gz HJPUKEMMRKRJLE-OAGGEKHMSA-N 2 2 356.442 0.633 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H](O)C2)cs1 ZINC001219814054 855828926 /nfs/dbraw/zinc/82/89/26/855828926.db2.gz QKBGNGIKBJSNOV-CVEARBPZSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)cs1 ZINC001219814054 855828934 /nfs/dbraw/zinc/82/89/34/855828934.db2.gz QKBGNGIKBJSNOV-CVEARBPZSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cs1 ZINC001219814054 855828937 /nfs/dbraw/zinc/82/89/37/855828937.db2.gz QKBGNGIKBJSNOV-CVEARBPZSA-N 2 2 352.504 0.640 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cs1 ZINC001219814054 855828943 /nfs/dbraw/zinc/82/89/43/855828943.db2.gz QKBGNGIKBJSNOV-CVEARBPZSA-N 2 2 352.504 0.640 20 0 FCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830113 855834613 /nfs/dbraw/zinc/83/46/13/855834613.db2.gz OAJUERUSQQAXNN-OAGGEKHMSA-N 2 2 369.897 0.572 20 0 FCADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830113 855834621 /nfs/dbraw/zinc/83/46/21/855834621.db2.gz OAJUERUSQQAXNN-OAGGEKHMSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830113 855834627 /nfs/dbraw/zinc/83/46/27/855834627.db2.gz OAJUERUSQQAXNN-OAGGEKHMSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830113 855834636 /nfs/dbraw/zinc/83/46/36/855834636.db2.gz OAJUERUSQQAXNN-OAGGEKHMSA-N 2 2 369.897 0.572 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830346 855835707 /nfs/dbraw/zinc/83/57/07/855835707.db2.gz WCOUDLWRCKPWIP-MJBXVCDLSA-N 2 2 367.412 0.601 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830346 855835716 /nfs/dbraw/zinc/83/57/16/855835716.db2.gz WCOUDLWRCKPWIP-MJBXVCDLSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830346 855835718 /nfs/dbraw/zinc/83/57/18/855835718.db2.gz WCOUDLWRCKPWIP-MJBXVCDLSA-N 2 2 367.412 0.601 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@@H]1O ZINC001219830346 855835726 /nfs/dbraw/zinc/83/57/26/855835726.db2.gz WCOUDLWRCKPWIP-MJBXVCDLSA-N 2 2 367.412 0.601 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904846 855873578 /nfs/dbraw/zinc/87/35/78/855873578.db2.gz MMWSDDQNHZDPRM-KFWWJZLASA-N 2 2 356.511 0.133 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904846 855873581 /nfs/dbraw/zinc/87/35/81/855873581.db2.gz MMWSDDQNHZDPRM-KFWWJZLASA-N 2 2 356.511 0.133 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904846 855873588 /nfs/dbraw/zinc/87/35/88/855873588.db2.gz MMWSDDQNHZDPRM-KFWWJZLASA-N 2 2 356.511 0.133 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@@H]1O ZINC001219904846 855873593 /nfs/dbraw/zinc/87/35/93/855873593.db2.gz MMWSDDQNHZDPRM-KFWWJZLASA-N 2 2 356.511 0.133 20 0 FCADLP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908914 855875728 /nfs/dbraw/zinc/87/57/28/855875728.db2.gz VVLRBAQNHNRCNO-UAGQMJEPSA-N 2 2 350.463 0.422 20 0 FCADLP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908914 855875732 /nfs/dbraw/zinc/87/57/32/855875732.db2.gz VVLRBAQNHNRCNO-UAGQMJEPSA-N 2 2 350.463 0.422 20 0 FCADLP COCCCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921201 855878685 /nfs/dbraw/zinc/87/86/85/855878685.db2.gz DRHXOQRNDHYGAZ-CVEARBPZSA-N 2 2 354.451 0.328 20 0 FCADLP COCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001219921201 855878688 /nfs/dbraw/zinc/87/86/88/855878688.db2.gz DRHXOQRNDHYGAZ-CVEARBPZSA-N 2 2 354.451 0.328 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2C(F)(F)F)C[NH2+]1 ZINC001219965116 855899970 /nfs/dbraw/zinc/89/99/70/855899970.db2.gz CBQXAPKVEIFHNT-WXHSDQCUSA-N 2 2 359.348 0.595 20 0 FCADLP Cc1nn(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C)c1Br ZINC001219997485 855911202 /nfs/dbraw/zinc/91/12/02/855911202.db2.gz YSQFMRLSVZLTKN-LBPRGKRZSA-N 2 2 369.267 0.682 20 0 FCADLP C[NH+](C)Cc1nc(CSCCNC(=O)[C@@]2(N)CCC[NH2+]C2)cs1 ZINC001220128750 855973640 /nfs/dbraw/zinc/97/36/40/855973640.db2.gz MWSGZOYGNXBCGO-OAHLLOKOSA-N 2 2 357.549 0.635 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234063 856024747 /nfs/dbraw/zinc/02/47/47/856024747.db2.gz SFJLPWIAHZBFIH-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234063 856024755 /nfs/dbraw/zinc/02/47/55/856024755.db2.gz SFJLPWIAHZBFIH-BMFZPTHFSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234047 856025101 /nfs/dbraw/zinc/02/51/01/856025101.db2.gz RTPMBDCETDIILO-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234047 856025104 /nfs/dbraw/zinc/02/51/04/856025104.db2.gz RTPMBDCETDIILO-ZNMIVQPWSA-N 2 2 356.511 0.183 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220375686 856094879 /nfs/dbraw/zinc/09/48/79/856094879.db2.gz AXRKFLISBQLNRK-PMPSAXMXSA-N 2 2 353.438 0.836 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1O)[NH+](C)C ZINC001220375686 856094888 /nfs/dbraw/zinc/09/48/88/856094888.db2.gz AXRKFLISBQLNRK-PMPSAXMXSA-N 2 2 353.438 0.836 20 0 FCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001220478925 856146281 /nfs/dbraw/zinc/14/62/81/856146281.db2.gz QHXKDZHNUQNOPO-KFWWJZLASA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@@H]1O ZINC001220478925 856146290 /nfs/dbraw/zinc/14/62/90/856146290.db2.gz QHXKDZHNUQNOPO-KFWWJZLASA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1O ZINC001220478925 856146295 /nfs/dbraw/zinc/14/62/95/856146295.db2.gz QHXKDZHNUQNOPO-KFWWJZLASA-N 2 2 363.449 0.692 20 0 FCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1O ZINC001220478925 856146303 /nfs/dbraw/zinc/14/63/03/856146303.db2.gz QHXKDZHNUQNOPO-KFWWJZLASA-N 2 2 363.449 0.692 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220572607 856190208 /nfs/dbraw/zinc/19/02/08/856190208.db2.gz CHJBTPDRXYQWKP-IXDOHACOSA-N 2 2 351.495 0.448 20 0 FCADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O)C(C)C ZINC001220572607 856190216 /nfs/dbraw/zinc/19/02/16/856190216.db2.gz CHJBTPDRXYQWKP-IXDOHACOSA-N 2 2 351.495 0.448 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220582928 856194691 /nfs/dbraw/zinc/19/46/91/856194691.db2.gz LFTKPNIZALTIRN-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220582928 856194692 /nfs/dbraw/zinc/19/46/92/856194692.db2.gz LFTKPNIZALTIRN-SJORKVTESA-N 2 2 353.438 0.321 20 0 FCADLP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599688 856200345 /nfs/dbraw/zinc/20/03/45/856200345.db2.gz GTHZNWVRZJRWMJ-MSOLQXFVSA-N 2 2 355.523 0.942 20 0 FCADLP CC(C)CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220599688 856200359 /nfs/dbraw/zinc/20/03/59/856200359.db2.gz GTHZNWVRZJRWMJ-MSOLQXFVSA-N 2 2 355.523 0.942 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC001220605719 856202470 /nfs/dbraw/zinc/20/24/70/856202470.db2.gz WLXGYSPTUZOLOF-STQMWFEESA-N 3 2 352.236 0.858 20 0 FCADLP [NH3+]C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(Br)cc1 ZINC001220607049 856203717 /nfs/dbraw/zinc/20/37/17/856203717.db2.gz HKGCFSPQIOYZBX-CORIIIEPSA-N 3 2 353.264 0.517 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711138 856256048 /nfs/dbraw/zinc/25/60/48/856256048.db2.gz KYOSGVDDQLATAN-DZGCQCFKSA-N 2 2 365.865 0.070 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1F ZINC001220768539 856289374 /nfs/dbraw/zinc/28/93/74/856289374.db2.gz QIXZRSAVKWJZGL-SJORKVTESA-N 2 2 353.438 0.374 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cc1F ZINC001220768539 856289380 /nfs/dbraw/zinc/28/93/80/856289380.db2.gz QIXZRSAVKWJZGL-SJORKVTESA-N 2 2 353.438 0.374 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001220799350 856306805 /nfs/dbraw/zinc/30/68/05/856306805.db2.gz YJNWRBYPTAITKK-SJORKVTESA-N 2 2 350.463 0.945 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001220799350 856306807 /nfs/dbraw/zinc/30/68/07/856306807.db2.gz YJNWRBYPTAITKK-SJORKVTESA-N 2 2 350.463 0.945 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220806469 856309555 /nfs/dbraw/zinc/30/95/55/856309555.db2.gz DGLQZGYMJUQHAV-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220806469 856309570 /nfs/dbraw/zinc/30/95/70/856309570.db2.gz DGLQZGYMJUQHAV-CVEARBPZSA-N 2 2 350.463 0.483 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816871 856318700 /nfs/dbraw/zinc/31/87/00/856318700.db2.gz FIFDRODENGQGPB-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816871 856318711 /nfs/dbraw/zinc/31/87/11/856318711.db2.gz FIFDRODENGQGPB-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220816871 856318719 /nfs/dbraw/zinc/31/87/19/856318719.db2.gz FIFDRODENGQGPB-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP CCCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220816871 856318724 /nfs/dbraw/zinc/31/87/24/856318724.db2.gz FIFDRODENGQGPB-OAGGEKHMSA-N 2 2 356.511 0.184 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220816785 856319704 /nfs/dbraw/zinc/31/97/04/856319704.db2.gz AJFYDCYBLMEOCI-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220816785 856319715 /nfs/dbraw/zinc/31/97/15/856319715.db2.gz AJFYDCYBLMEOCI-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220816785 856319725 /nfs/dbraw/zinc/31/97/25/856319725.db2.gz AJFYDCYBLMEOCI-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001220816785 856319741 /nfs/dbraw/zinc/31/97/41/856319741.db2.gz AJFYDCYBLMEOCI-CABCVRRESA-N 2 2 363.487 0.694 20 0 FCADLP CSc1ncc(C[NH+]2CCC3(C[NH+](CC(=O)N(C)C)C3)CC2)c(N)n1 ZINC001279245318 862785035 /nfs/dbraw/zinc/78/50/35/862785035.db2.gz BENQWWWSYUKIIV-UHFFFAOYSA-N 2 2 364.519 0.767 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888326 856359382 /nfs/dbraw/zinc/35/93/82/856359382.db2.gz KGBDEKDYBQJTLF-CABCVRRESA-N 2 2 363.487 0.522 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888326 856359395 /nfs/dbraw/zinc/35/93/95/856359395.db2.gz KGBDEKDYBQJTLF-CABCVRRESA-N 2 2 363.487 0.522 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985707 856407187 /nfs/dbraw/zinc/40/71/87/856407187.db2.gz CBZQYXZVUHDLQW-CFVMTHIKSA-N 2 2 368.503 0.081 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985707 856407193 /nfs/dbraw/zinc/40/71/93/856407193.db2.gz CBZQYXZVUHDLQW-CFVMTHIKSA-N 2 2 368.503 0.081 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O ZINC001220986069 856408808 /nfs/dbraw/zinc/40/88/08/856408808.db2.gz RCOGYSKVPMTFNW-XQQFMLRXSA-N 2 2 353.385 0.068 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O ZINC001220986069 856408811 /nfs/dbraw/zinc/40/88/11/856408811.db2.gz RCOGYSKVPMTFNW-XQQFMLRXSA-N 2 2 353.385 0.068 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001221085887 856456326 /nfs/dbraw/zinc/45/63/26/856456326.db2.gz WTGMNGRWEFCITJ-SQNIBIBYSA-N 2 2 353.507 0.839 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC2CCC2)C[C@@H]1O ZINC001221085887 856456335 /nfs/dbraw/zinc/45/63/35/856456335.db2.gz WTGMNGRWEFCITJ-SQNIBIBYSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221085887 856456345 /nfs/dbraw/zinc/45/63/45/856456345.db2.gz WTGMNGRWEFCITJ-SQNIBIBYSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O ZINC001221085887 856456352 /nfs/dbraw/zinc/45/63/52/856456352.db2.gz WTGMNGRWEFCITJ-SQNIBIBYSA-N 2 2 353.507 0.839 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CC(=O)OC(C)(CC)CC ZINC001221389116 856558098 /nfs/dbraw/zinc/55/80/98/856558098.db2.gz HWURHEXWQXVKOW-ZDUSSCGKSA-N 3 2 357.499 0.890 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CC1 ZINC001221616380 856625964 /nfs/dbraw/zinc/62/59/64/856625964.db2.gz MFWJPGLFKNHAOQ-INMHGKMJSA-N 2 2 350.507 0.774 20 0 FCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C[C@H]21)C1CC1 ZINC001221616380 856625971 /nfs/dbraw/zinc/62/59/71/856625971.db2.gz MFWJPGLFKNHAOQ-INMHGKMJSA-N 2 2 350.507 0.774 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221786912 856682511 /nfs/dbraw/zinc/68/25/11/856682511.db2.gz FKUOAZLYFVLYKQ-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221786912 856682516 /nfs/dbraw/zinc/68/25/16/856682516.db2.gz FKUOAZLYFVLYKQ-IAGOWNOFSA-N 2 2 371.547 0.686 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813259 856695614 /nfs/dbraw/zinc/69/56/14/856695614.db2.gz CZAHXKGWWXSUOZ-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813259 856695618 /nfs/dbraw/zinc/69/56/18/856695618.db2.gz CZAHXKGWWXSUOZ-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813259 856695625 /nfs/dbraw/zinc/69/56/25/856695625.db2.gz CZAHXKGWWXSUOZ-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP CCCCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813259 856695631 /nfs/dbraw/zinc/69/56/31/856695631.db2.gz CZAHXKGWWXSUOZ-GVDBMIGSSA-N 2 2 350.507 0.920 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014200 856768624 /nfs/dbraw/zinc/76/86/24/856768624.db2.gz WCDAEEFWSGBOFX-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014200 856768626 /nfs/dbraw/zinc/76/86/26/856768626.db2.gz WCDAEEFWSGBOFX-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014200 856768631 /nfs/dbraw/zinc/76/86/31/856768631.db2.gz WCDAEEFWSGBOFX-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014200 856768636 /nfs/dbraw/zinc/76/86/36/856768636.db2.gz WCDAEEFWSGBOFX-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCC(CC)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014177 856768887 /nfs/dbraw/zinc/76/88/87/856768887.db2.gz UYLSUQITNLSZHO-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(CC)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014177 856768891 /nfs/dbraw/zinc/76/88/91/856768891.db2.gz UYLSUQITNLSZHO-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014177 856768894 /nfs/dbraw/zinc/76/88/94/856768894.db2.gz UYLSUQITNLSZHO-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP CCC(CC)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014177 856768900 /nfs/dbraw/zinc/76/89/00/856768900.db2.gz UYLSUQITNLSZHO-HLLBOEOZSA-N 2 2 350.507 0.776 20 0 FCADLP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4nccs4)CC3)[C@H]2C1 ZINC001279350121 862840276 /nfs/dbraw/zinc/84/02/76/862840276.db2.gz ONOFTMRPVOICHC-GJZGRUSLSA-N 2 2 363.531 0.717 20 0 FCADLP CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4nccs4)CC3)[C@H]2C1 ZINC001279350121 862840289 /nfs/dbraw/zinc/84/02/89/862840289.db2.gz ONOFTMRPVOICHC-GJZGRUSLSA-N 2 2 363.531 0.717 20 0 FCADLP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001223911694 856950903 /nfs/dbraw/zinc/95/09/03/856950903.db2.gz HQFCHGVIFQMQRU-KFWWJZLASA-N 2 2 350.463 0.617 20 0 FCADLP COC[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001223911694 856950912 /nfs/dbraw/zinc/95/09/12/856950912.db2.gz HQFCHGVIFQMQRU-KFWWJZLASA-N 2 2 350.463 0.617 20 0 FCADLP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1)S(C)(=O)=O ZINC001226686700 857121026 /nfs/dbraw/zinc/12/10/26/857121026.db2.gz HNKVYWWONAAUHZ-HUUCEWRRSA-N 2 2 371.507 0.251 20 0 FCADLP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1)S(C)(=O)=O ZINC001226686700 857121027 /nfs/dbraw/zinc/12/10/27/857121027.db2.gz HNKVYWWONAAUHZ-HUUCEWRRSA-N 2 2 371.507 0.251 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001226697476 857121720 /nfs/dbraw/zinc/12/17/20/857121720.db2.gz WROYFYFLAPECFD-FVQBIDKESA-N 2 2 368.503 0.794 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001226697476 857121729 /nfs/dbraw/zinc/12/17/29/857121729.db2.gz WROYFYFLAPECFD-FVQBIDKESA-N 2 2 368.503 0.794 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226886346 857130162 /nfs/dbraw/zinc/13/01/62/857130162.db2.gz XRRPHPXSEGEXEF-KBUPBQIOSA-N 2 2 368.503 0.965 20 0 FCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226886346 857130164 /nfs/dbraw/zinc/13/01/64/857130164.db2.gz XRRPHPXSEGEXEF-KBUPBQIOSA-N 2 2 368.503 0.965 20 0 FCADLP CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001227128672 857145147 /nfs/dbraw/zinc/14/51/47/857145147.db2.gz WBLJKWSZICBYGX-FVQBIDKESA-N 2 2 368.503 0.507 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+](CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235274545 857420819 /nfs/dbraw/zinc/42/08/19/857420819.db2.gz OEGMAQBEPTYLLO-BPLDGKMQSA-N 3 2 365.396 0.382 20 0 FCADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+](CC[C@@H]1C[NH2+]CCO1)C2 ZINC001235274545 857420821 /nfs/dbraw/zinc/42/08/21/857420821.db2.gz OEGMAQBEPTYLLO-BPLDGKMQSA-N 3 2 365.396 0.382 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOCC(F)(F)F)O1 ZINC001235799070 857432346 /nfs/dbraw/zinc/43/23/46/857432346.db2.gz VKESCAVWYPRABH-MGPQQGTHSA-N 2 2 367.412 0.817 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOCC(F)(F)F)O1 ZINC001235799070 857432357 /nfs/dbraw/zinc/43/23/57/857432357.db2.gz VKESCAVWYPRABH-MGPQQGTHSA-N 2 2 367.412 0.817 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCOCC(F)(F)F)O1 ZINC001235799070 857432364 /nfs/dbraw/zinc/43/23/64/857432364.db2.gz VKESCAVWYPRABH-MGPQQGTHSA-N 2 2 367.412 0.817 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCOCC(F)(F)F)O1 ZINC001235799070 857432368 /nfs/dbraw/zinc/43/23/68/857432368.db2.gz VKESCAVWYPRABH-MGPQQGTHSA-N 2 2 367.412 0.817 20 0 FCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501071 862917505 /nfs/dbraw/zinc/91/75/05/862917505.db2.gz BOTXHWXNASOLMY-MELADBBJSA-N 2 2 364.412 0.985 20 0 FCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501071 862917520 /nfs/dbraw/zinc/91/75/20/862917520.db2.gz BOTXHWXNASOLMY-MELADBBJSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501071 862917530 /nfs/dbraw/zinc/91/75/30/862917530.db2.gz BOTXHWXNASOLMY-MELADBBJSA-N 2 2 364.412 0.985 20 0 FCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)NCC(F)(F)F)C1 ZINC001279501071 862917548 /nfs/dbraw/zinc/91/75/48/862917548.db2.gz BOTXHWXNASOLMY-MELADBBJSA-N 2 2 364.412 0.985 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C[C@H]4CCC[NH+](C)C4)[C@@H]3C2)c1 ZINC001279502042 862918860 /nfs/dbraw/zinc/91/88/60/862918860.db2.gz MHGSMEQHKCAEPB-HRCADAONSA-N 2 2 367.519 0.457 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C[C@H]4CCC[NH+](C)C4)[C@@H]3C2)c1 ZINC001279502042 862918872 /nfs/dbraw/zinc/91/88/72/862918872.db2.gz MHGSMEQHKCAEPB-HRCADAONSA-N 2 2 367.519 0.457 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[NH+](C[C@H]4CCC[N@H+](C)C4)[C@@H]3C2)c1 ZINC001279502042 862918884 /nfs/dbraw/zinc/91/88/84/862918884.db2.gz MHGSMEQHKCAEPB-HRCADAONSA-N 2 2 367.519 0.457 20 0 FCADLP Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[NH+](C[C@H]4CCC[N@@H+](C)C4)[C@@H]3C2)c1 ZINC001279502042 862918894 /nfs/dbraw/zinc/91/88/94/862918894.db2.gz MHGSMEQHKCAEPB-HRCADAONSA-N 2 2 367.519 0.457 20 0 FCADLP CCCOC[C@H](O)C[N@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001246034670 857565453 /nfs/dbraw/zinc/56/54/53/857565453.db2.gz RPGDGQYEFSNUPW-BPLDGKMQSA-N 2 2 368.396 0.791 20 0 FCADLP CCCOC[C@H](O)C[N@@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001246034670 857565458 /nfs/dbraw/zinc/56/54/58/857565458.db2.gz RPGDGQYEFSNUPW-BPLDGKMQSA-N 2 2 368.396 0.791 20 0 FCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001246151647 857570023 /nfs/dbraw/zinc/57/00/23/857570023.db2.gz KLHRPECGDXNVDK-DGAVXFQQSA-N 2 2 358.435 0.378 20 0 FCADLP O=S(=O)(c1cccc(F)c1)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246597729 857585634 /nfs/dbraw/zinc/58/56/34/857585634.db2.gz UDZCBZIRDYQUKR-HNNXBMFYSA-N 2 2 368.478 0.226 20 0 FCADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746384 857597682 /nfs/dbraw/zinc/59/76/82/857597682.db2.gz JYBZJUIQTASSFM-NTDBWNAOSA-N 2 2 351.491 0.999 20 0 FCADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746384 857597689 /nfs/dbraw/zinc/59/76/89/857597689.db2.gz JYBZJUIQTASSFM-NTDBWNAOSA-N 2 2 351.491 0.999 20 0 FCADLP CC1([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)CC[NH2+]CC1 ZINC001246808478 857601922 /nfs/dbraw/zinc/60/19/22/857601922.db2.gz BPSFCEVARSCJOO-HOTGVXAUSA-N 3 2 367.563 0.010 20 0 FCADLP CS(=O)(=O)N(CC[NH3+])Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248898011 857639710 /nfs/dbraw/zinc/63/97/10/857639710.db2.gz CEBYOCZLKVIBEP-UHFFFAOYSA-N 2 2 362.415 0.643 20 0 FCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)no1 ZINC001249130208 857641976 /nfs/dbraw/zinc/64/19/76/857641976.db2.gz YBWNYFRCKMGCBD-MRVPVSSYSA-N 2 2 350.322 0.859 20 0 FCADLP COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=S)NCC[NH+](C)C ZINC001249836964 857652603 /nfs/dbraw/zinc/65/26/03/857652603.db2.gz NFGVCFMMCSKHCJ-MRXNPFEDSA-N 2 2 364.515 0.782 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=S)NCC[NH+](C)C ZINC001249836964 857652608 /nfs/dbraw/zinc/65/26/08/857652608.db2.gz NFGVCFMMCSKHCJ-MRXNPFEDSA-N 2 2 364.515 0.782 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250812467 857664446 /nfs/dbraw/zinc/66/44/46/857664446.db2.gz MHUVDQNWXVLGDP-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001250812467 857664448 /nfs/dbraw/zinc/66/44/48/857664448.db2.gz MHUVDQNWXVLGDP-CVEARBPZSA-N 2 2 353.438 0.708 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971351 857674252 /nfs/dbraw/zinc/67/42/52/857674252.db2.gz ZSAOPESBHICTLO-UPJWGTAASA-N 2 2 353.385 0.021 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971351 857674255 /nfs/dbraw/zinc/67/42/55/857674255.db2.gz ZSAOPESBHICTLO-UPJWGTAASA-N 2 2 353.385 0.021 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971351 857674261 /nfs/dbraw/zinc/67/42/61/857674261.db2.gz ZSAOPESBHICTLO-UPJWGTAASA-N 2 2 353.385 0.021 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)C(F)(F)F)CC[C@@H]2C1 ZINC001250971351 857674265 /nfs/dbraw/zinc/67/42/65/857674265.db2.gz ZSAOPESBHICTLO-UPJWGTAASA-N 2 2 353.385 0.021 20 0 FCADLP C[NH+]1CCN(C2C[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001251414510 857722403 /nfs/dbraw/zinc/72/24/03/857722403.db2.gz LXDQWTANPVHBPR-GOSISDBHSA-N 2 2 354.495 0.290 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)NCCc1c[nH]c[nH+]1 ZINC001251637569 857737563 /nfs/dbraw/zinc/73/75/63/857737563.db2.gz BUEOCYKLKMEJSX-NSHDSACASA-N 2 2 370.347 0.326 20 0 FCADLP O=C(CC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)NCCc1c[nH+]c[nH]1 ZINC001251637569 857737570 /nfs/dbraw/zinc/73/75/70/857737570.db2.gz BUEOCYKLKMEJSX-NSHDSACASA-N 2 2 370.347 0.326 20 0 FCADLP COCCc1ccc(OC[C@H](O)C[NH2+]C2(CO)CC[NH+](C)CC2)cc1 ZINC001253077949 857858513 /nfs/dbraw/zinc/85/85/13/857858513.db2.gz BIWWHSLSDBIMHP-QGZVFWFLSA-N 2 2 352.475 0.662 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(Cc2ccccn2)CCS(=O)(=O)CC1 ZINC001253211857 857873231 /nfs/dbraw/zinc/87/32/31/857873231.db2.gz BKTYZUORDHTZOW-QGZVFWFLSA-N 2 2 369.531 0.864 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC001253390668 857884524 /nfs/dbraw/zinc/88/45/24/857884524.db2.gz VEHVOGJNNCJFLB-OAHLLOKOSA-N 2 2 358.527 0.878 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001253390043 857884674 /nfs/dbraw/zinc/88/46/74/857884674.db2.gz IHMAKQFAPBRPOP-HZMVEIRTSA-N 2 2 353.507 0.741 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001253390043 857884685 /nfs/dbraw/zinc/88/46/85/857884685.db2.gz IHMAKQFAPBRPOP-HZMVEIRTSA-N 2 2 353.507 0.741 20 0 FCADLP CC(C)[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001253762003 857910425 /nfs/dbraw/zinc/91/04/25/857910425.db2.gz ZEBCQJRMWQHQDU-SJORKVTESA-N 2 2 351.495 0.844 20 0 FCADLP CC(C)[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001253762003 857910433 /nfs/dbraw/zinc/91/04/33/857910433.db2.gz ZEBCQJRMWQHQDU-SJORKVTESA-N 2 2 351.495 0.844 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC1 ZINC001256207693 858056927 /nfs/dbraw/zinc/05/69/27/858056927.db2.gz OPKWVQAGAFVSQL-MJGOQNOKSA-N 2 2 351.491 0.953 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)CC1 ZINC001256207693 858056931 /nfs/dbraw/zinc/05/69/31/858056931.db2.gz OPKWVQAGAFVSQL-MJGOQNOKSA-N 2 2 351.491 0.953 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC1CCC([NH+]2CCOCC2)CC1 ZINC001256683826 858095740 /nfs/dbraw/zinc/09/57/40/858095740.db2.gz IRZOWFDEMGOODG-VMBOVVBDSA-N 2 2 350.463 0.737 20 0 FCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1[C@H]1CCCSC1 ZINC001257668338 858156359 /nfs/dbraw/zinc/15/63/59/858156359.db2.gz PQFMCZJDWHGQKT-UBHSHLNASA-N 2 2 351.476 0.297 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001261501671 858570491 /nfs/dbraw/zinc/57/04/91/858570491.db2.gz JMXUSIQUZFIWKI-OAHLLOKOSA-N 2 2 353.463 0.385 20 0 FCADLP CSCC[C@H]([NH3+])CC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001263108078 859103522 /nfs/dbraw/zinc/10/35/22/859103522.db2.gz NNSAVGIBERNLPU-ZDUSSCGKSA-N 2 2 352.508 0.558 20 0 FCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N(C)c1nccs1 ZINC001266391090 859480351 /nfs/dbraw/zinc/48/03/51/859480351.db2.gz YZCBAULUIOCWNP-ZIAGYGMSSA-N 2 2 367.519 0.884 20 0 FCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)N(C)c1nccs1 ZINC001266391090 859480354 /nfs/dbraw/zinc/48/03/54/859480354.db2.gz YZCBAULUIOCWNP-ZIAGYGMSSA-N 2 2 367.519 0.884 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)N(C)c1nccs1 ZINC001266391090 859480357 /nfs/dbraw/zinc/48/03/57/859480357.db2.gz YZCBAULUIOCWNP-ZIAGYGMSSA-N 2 2 367.519 0.884 20 0 FCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)N(C)c1nccs1 ZINC001266391090 859480362 /nfs/dbraw/zinc/48/03/62/859480362.db2.gz YZCBAULUIOCWNP-ZIAGYGMSSA-N 2 2 367.519 0.884 20 0 FCADLP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001274907208 860868351 /nfs/dbraw/zinc/86/83/51/860868351.db2.gz CEFNQFQCEJYSKV-GJZGRUSLSA-N 2 2 364.515 0.941 20 0 FCADLP Cc1ncsc1C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001274907208 860868371 /nfs/dbraw/zinc/86/83/71/860868371.db2.gz CEFNQFQCEJYSKV-GJZGRUSLSA-N 2 2 364.515 0.941 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274909034 860869730 /nfs/dbraw/zinc/86/97/30/860869730.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 2 2 352.523 0.318 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C2)C1 ZINC001274909034 860869732 /nfs/dbraw/zinc/86/97/32/860869732.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 2 2 352.523 0.318 20 0 FCADLP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274909034 860869735 /nfs/dbraw/zinc/86/97/35/860869735.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 2 2 352.523 0.318 20 0 FCADLP CN(C)CC[NH+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274909034 860869736 /nfs/dbraw/zinc/86/97/36/860869736.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 2 2 352.523 0.318 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1 ZINC001274909034 860869739 /nfs/dbraw/zinc/86/97/39/860869739.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 2 2 352.523 0.318 20 0 FCADLP C[NH+](C)CCN1CCC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)C1 ZINC001274909034 860869741 /nfs/dbraw/zinc/86/97/41/860869741.db2.gz SNXPSIWZFXWODI-JENIJYKNSA-N 2 2 352.523 0.318 20 0 FCADLP Nc1ncc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)s1 ZINC001275734102 861175996 /nfs/dbraw/zinc/17/59/96/861175996.db2.gz WRRCUUHVGNHTQK-MRXNPFEDSA-N 2 2 362.459 0.425 20 0 FCADLP Nc1ncc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)s1 ZINC001275734102 861176003 /nfs/dbraw/zinc/17/60/03/861176003.db2.gz WRRCUUHVGNHTQK-MRXNPFEDSA-N 2 2 362.459 0.425 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275738292 861181729 /nfs/dbraw/zinc/18/17/29/861181729.db2.gz XWVKECOMYBLWLC-DLBZAZTESA-N 3 2 353.417 0.457 20 0 FCADLP O=C1N(CCn2cc[nH+]c2)C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]12F ZINC001275738292 861181730 /nfs/dbraw/zinc/18/17/30/861181730.db2.gz XWVKECOMYBLWLC-DLBZAZTESA-N 3 2 353.417 0.457 20 0 FCADLP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCSC12C[NH+](CC(=O)N(C)C)C2 ZINC001279914665 863133704 /nfs/dbraw/zinc/13/37/04/863133704.db2.gz TUSCTAKOBZTPSE-HNNXBMFYSA-N 2 2 370.563 0.682 20 0 FCADLP CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=S)NCC[NH+](C)C ZINC001279975320 863162078 /nfs/dbraw/zinc/16/20/78/863162078.db2.gz FGUCCICIGUOMBU-GJZGRUSLSA-N 2 2 350.536 0.988 20 0 FCADLP CCn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=S)NCC[NH+](C)C ZINC001279975320 863162082 /nfs/dbraw/zinc/16/20/82/863162082.db2.gz FGUCCICIGUOMBU-GJZGRUSLSA-N 2 2 350.536 0.988 20 0 FCADLP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001280045756 863214954 /nfs/dbraw/zinc/21/49/54/863214954.db2.gz NPQRZKDSWFUIIA-CVEARBPZSA-N 2 2 350.463 1.000 20 0 FCADLP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001280045756 863214965 /nfs/dbraw/zinc/21/49/65/863214965.db2.gz NPQRZKDSWFUIIA-CVEARBPZSA-N 2 2 350.463 1.000 20 0 FCADLP COC[C@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053054 863220492 /nfs/dbraw/zinc/22/04/92/863220492.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 3 2 350.463 0.715 20 0 FCADLP COC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053054 863220509 /nfs/dbraw/zinc/22/05/09/863220509.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 3 2 350.463 0.715 20 0 FCADLP COC[C@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053054 863220524 /nfs/dbraw/zinc/22/05/24/863220524.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 3 2 350.463 0.715 20 0 FCADLP COC[C@H](C(=O)OC)[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001280053054 863220537 /nfs/dbraw/zinc/22/05/37/863220537.db2.gz LQFGKOQXXYYUIX-IXDOHACOSA-N 3 2 350.463 0.715 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC3(C2)CCC[N@@H+](C2CC[NH+](C)CC2)C3)c1 ZINC001280070881 863242645 /nfs/dbraw/zinc/24/26/45/863242645.db2.gz FABWDFAINLVCRT-UHFFFAOYSA-N 2 2 367.519 0.601 20 0 FCADLP Cn1cnc(S(=O)(=O)N2CC3(C2)CCC[N@H+](C2CC[NH+](C)CC2)C3)c1 ZINC001280070881 863242663 /nfs/dbraw/zinc/24/26/63/863242663.db2.gz FABWDFAINLVCRT-UHFFFAOYSA-N 2 2 367.519 0.601 20 0 FCADLP CC(C)OCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280080213 863251652 /nfs/dbraw/zinc/25/16/52/863251652.db2.gz CXBFXXMLMOTUID-KURKYZTESA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001280080213 863251660 /nfs/dbraw/zinc/25/16/60/863251660.db2.gz CXBFXXMLMOTUID-KURKYZTESA-N 2 2 351.491 0.807 20 0 FCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001280144420 863294775 /nfs/dbraw/zinc/29/47/75/863294775.db2.gz XFTVXJSCLNUFLV-UHFFFAOYSA-N 2 2 353.463 0.385 20 0 FCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001280144420 863294790 /nfs/dbraw/zinc/29/47/90/863294790.db2.gz XFTVXJSCLNUFLV-UHFFFAOYSA-N 2 2 353.463 0.385 20 0 FCADLP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280225736 863347922 /nfs/dbraw/zinc/34/79/22/863347922.db2.gz UWUULEHCFUXTJD-IAGOWNOFSA-N 3 2 351.539 0.012 20 0 FCADLP CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@@H]2C1 ZINC001280225736 863347928 /nfs/dbraw/zinc/34/79/28/863347928.db2.gz UWUULEHCFUXTJD-IAGOWNOFSA-N 3 2 351.539 0.012 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1)[NH+](C)C ZINC001281838653 863803528 /nfs/dbraw/zinc/80/35/28/863803528.db2.gz JZBKVZNWVRXFEW-QLFBSQMISA-N 2 2 351.451 0.025 20 0 FCADLP COC[C@]1(CO)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015987 867135136 /nfs/dbraw/zinc/13/51/36/867135136.db2.gz QQSXMRDFXKFRIF-MAUKXSAKSA-N 2 2 354.495 0.195 20 0 FCADLP COC[C@]1(CO)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015987 867135139 /nfs/dbraw/zinc/13/51/39/867135139.db2.gz QQSXMRDFXKFRIF-MAUKXSAKSA-N 2 2 354.495 0.195 20 0 FCADLP CC(C)CNC(=O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001318267722 867632481 /nfs/dbraw/zinc/63/24/81/867632481.db2.gz OBDVRRQACARIRQ-UHFFFAOYSA-N 2 2 353.511 0.616 20 0 FCADLP Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc[nH+]1 ZINC001356267557 867966460 /nfs/dbraw/zinc/96/64/60/867966460.db2.gz VWWUGRRWQHZMFI-FRRDWIJNSA-N 2 2 355.389 0.715 20 0 FCADLP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)s1 ZINC001322060318 868724918 /nfs/dbraw/zinc/72/49/18/868724918.db2.gz FQBJAQDINOBIEX-UHFFFAOYSA-N 2 2 360.549 0.803 20 0 FCADLP C[C@H]1SCC[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001326193703 870203566 /nfs/dbraw/zinc/20/35/66/870203566.db2.gz GHZHAVYGLNQJGE-HIFRSBDPSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@H]1SCC[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001326193703 870203581 /nfs/dbraw/zinc/20/35/81/870203581.db2.gz GHZHAVYGLNQJGE-HIFRSBDPSA-N 2 2 356.536 0.481 20 0 FCADLP C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326294201 870244177 /nfs/dbraw/zinc/24/41/77/870244177.db2.gz MHULRZHBUSTSKF-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326294201 870244191 /nfs/dbraw/zinc/24/41/91/870244191.db2.gz MHULRZHBUSTSKF-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326294199 870244694 /nfs/dbraw/zinc/24/46/94/870244694.db2.gz MHULRZHBUSTSKF-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326294199 870244706 /nfs/dbraw/zinc/24/47/06/870244706.db2.gz MHULRZHBUSTSKF-CABCVRRESA-N 2 2 350.507 0.918 20 0 FCADLP C[C@]([NH2+]CC(=O)N1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001326594947 870399950 /nfs/dbraw/zinc/39/99/50/870399950.db2.gz CIFAEAJJFDCDKX-OAHLLOKOSA-N 2 2 358.364 0.427 20 0 FCADLP C[C@@]([NH2+]CC(=O)N1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001326594946 870400807 /nfs/dbraw/zinc/40/08/07/870400807.db2.gz CIFAEAJJFDCDKX-HNNXBMFYSA-N 2 2 358.364 0.427 20 0 FCADLP CS(=O)(=O)CCN1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001326840993 870524575 /nfs/dbraw/zinc/52/45/75/870524575.db2.gz FJQWDEBVRFTVTA-QGZVFWFLSA-N 2 2 359.536 0.338 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC001328614759 871543587 /nfs/dbraw/zinc/54/35/87/871543587.db2.gz HHFBIRDVADZTKB-JTQLQIEISA-N 2 2 351.432 0.400 20 0 FCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001346159513 871675259 /nfs/dbraw/zinc/67/52/59/871675259.db2.gz MEKWMLDRPLWACG-MRXNPFEDSA-N 2 2 354.495 0.807 20 0 FCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC001346159513 871675268 /nfs/dbraw/zinc/67/52/68/871675268.db2.gz MEKWMLDRPLWACG-MRXNPFEDSA-N 2 2 354.495 0.807 20 0 FCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001346159513 871675276 /nfs/dbraw/zinc/67/52/76/871675276.db2.gz MEKWMLDRPLWACG-MRXNPFEDSA-N 2 2 354.495 0.807 20 0 FCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001346159513 871675287 /nfs/dbraw/zinc/67/52/87/871675287.db2.gz MEKWMLDRPLWACG-MRXNPFEDSA-N 2 2 354.495 0.807 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC(C)(C)C3)C2)CC1 ZINC001346304325 871764240 /nfs/dbraw/zinc/76/42/40/871764240.db2.gz HDKZBIDCXAVIRB-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC(C)(C)C3)C2)CC1 ZINC001346304325 871764258 /nfs/dbraw/zinc/76/42/58/871764258.db2.gz HDKZBIDCXAVIRB-OAHLLOKOSA-N 2 2 350.507 0.920 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001347184051 872205475 /nfs/dbraw/zinc/20/54/75/872205475.db2.gz DMZUZHDPRQTXCB-CVEARBPZSA-N 2 2 355.527 0.373 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001347184051 872205490 /nfs/dbraw/zinc/20/54/90/872205490.db2.gz DMZUZHDPRQTXCB-CVEARBPZSA-N 2 2 355.527 0.373 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164104 872499964 /nfs/dbraw/zinc/49/99/64/872499964.db2.gz YEDGREFGKWFPJP-AWEZNQCLSA-N 2 2 354.470 0.622 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC001330164104 872499970 /nfs/dbraw/zinc/49/99/70/872499970.db2.gz YEDGREFGKWFPJP-AWEZNQCLSA-N 2 2 354.470 0.622 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963638 873316098 /nfs/dbraw/zinc/31/60/98/873316098.db2.gz IFULMJRULWBULB-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(C)(C)C1 ZINC001331963638 873316115 /nfs/dbraw/zinc/31/61/15/873316115.db2.gz IFULMJRULWBULB-HUUCEWRRSA-N 2 2 350.507 0.918 20 0 FCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826037721 947417266 /nfs/dbraw/zinc/41/72/66/947417266.db2.gz BCBYOORNXXGHDP-UHFFFAOYSA-N 2 2 372.477 0.375 20 0 FCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826037721 947417272 /nfs/dbraw/zinc/41/72/72/947417272.db2.gz BCBYOORNXXGHDP-UHFFFAOYSA-N 2 2 372.477 0.375 20 0 FCADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C[C@@H]2COCCO2)CC1 ZINC000826513838 948438503 /nfs/dbraw/zinc/43/85/03/948438503.db2.gz XJWAGTQSSHIGLN-QGZVFWFLSA-N 2 2 358.446 0.836 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574945790 949420840 /nfs/dbraw/zinc/42/08/40/949420840.db2.gz OEUXICQGPWNZJW-NSHDSACASA-N 2 2 372.408 0.576 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949368 949489898 /nfs/dbraw/zinc/48/98/98/949489898.db2.gz VDDXKTFHRLEFLD-LLVKDONJSA-N 2 2 360.447 0.761 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949368 949489921 /nfs/dbraw/zinc/48/99/21/949489921.db2.gz VDDXKTFHRLEFLD-LLVKDONJSA-N 2 2 360.447 0.761 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575881834 949738962 /nfs/dbraw/zinc/73/89/62/949738962.db2.gz BTLQBFCITMZCMZ-OCCSQVGLSA-N 2 2 367.417 0.632 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001570956871 949869926 /nfs/dbraw/zinc/86/99/26/949869926.db2.gz BHUQBWGDOXRPNU-CQSZACIVSA-N 2 2 352.402 0.523 20 0 FCADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574724373 949872899 /nfs/dbraw/zinc/87/28/99/949872899.db2.gz HNDQVWPJRGNIDS-GFCCVEGCSA-N 2 2 355.406 0.229 20 0 FCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575286503 949983667 /nfs/dbraw/zinc/98/36/67/949983667.db2.gz XGAHHSDCNFVNEK-RYUDHWBXSA-N 2 2 355.406 0.276 20 0 FCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574728657 949998796 /nfs/dbraw/zinc/99/87/96/949998796.db2.gz GLRUFBXROQQIDZ-GFCCVEGCSA-N 2 2 354.418 0.769 20 0 FCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574731268 950045766 /nfs/dbraw/zinc/04/57/66/950045766.db2.gz CKIMQWRMXOXKGY-CYBMUJFWSA-N 2 2 354.418 0.700 20 0 FCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574733041 950090938 /nfs/dbraw/zinc/09/09/38/950090938.db2.gz QMLGOAMIUQPQNH-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205204 950502830 /nfs/dbraw/zinc/50/28/30/950502830.db2.gz HCNLZXHSPPAQOK-KGLIPLIRSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205204 950502842 /nfs/dbraw/zinc/50/28/42/950502842.db2.gz HCNLZXHSPPAQOK-KGLIPLIRSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205206 950504761 /nfs/dbraw/zinc/50/47/61/950504761.db2.gz HCNLZXHSPPAQOK-ZIAGYGMSSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205206 950504775 /nfs/dbraw/zinc/50/47/75/950504775.db2.gz HCNLZXHSPPAQOK-ZIAGYGMSSA-N 2 2 370.461 0.689 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575090269 951759026 /nfs/dbraw/zinc/75/90/26/951759026.db2.gz KHGTZCDJAIXRRB-LLVKDONJSA-N 2 2 372.408 0.814 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCC1 ZINC001571062965 951960334 /nfs/dbraw/zinc/96/03/34/951960334.db2.gz GVTDNCANWSYNDC-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCC1 ZINC001571062965 951960339 /nfs/dbraw/zinc/96/03/39/951960339.db2.gz GVTDNCANWSYNDC-UHFFFAOYSA-N 2 2 369.473 0.995 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571075793 952098370 /nfs/dbraw/zinc/09/83/70/952098370.db2.gz CVHUYDFUXJPBBC-GUTXKFCHSA-N 2 2 370.461 0.782 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000292311713 214093151 /nfs/dbraw/zinc/09/31/51/214093151.db2.gz LVIZXAAPJPVTBM-UHFFFAOYSA-N 2 2 363.462 0.554 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000292311713 214093153 /nfs/dbraw/zinc/09/31/53/214093153.db2.gz LVIZXAAPJPVTBM-UHFFFAOYSA-N 2 2 363.462 0.554 20 0 FCADLP O=C(CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292507561 214104797 /nfs/dbraw/zinc/10/47/97/214104797.db2.gz PNZFTQHPPJPWIU-IRXDYDNUSA-N 2 2 371.485 0.721 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000299539357 214721271 /nfs/dbraw/zinc/72/12/71/214721271.db2.gz UYGQFMAHNCUGDF-UHFFFAOYSA-N 2 2 361.446 0.269 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293079149 214143774 /nfs/dbraw/zinc/14/37/74/214143774.db2.gz CYKJSRACESDVRS-CYBMUJFWSA-N 2 2 363.462 0.479 20 0 FCADLP Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000293423915 214173030 /nfs/dbraw/zinc/17/30/30/214173030.db2.gz OGBXOYCMRGXMBT-HNNXBMFYSA-N 2 2 371.441 0.762 20 0 FCADLP Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000294027734 214218492 /nfs/dbraw/zinc/21/84/92/214218492.db2.gz ZZDGXFABNSJAOS-OAHLLOKOSA-N 2 2 371.441 0.762 20 0 FCADLP C[C@H](O)CNc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc[nH+]1 ZINC000294414615 214244539 /nfs/dbraw/zinc/24/45/39/214244539.db2.gz ODFVGJKESIUFFA-AWEZNQCLSA-N 2 2 362.478 0.260 20 0 FCADLP CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000294759309 214264027 /nfs/dbraw/zinc/26/40/27/214264027.db2.gz IWLFZNLPIJUZKB-MRXNPFEDSA-N 2 2 362.478 0.891 20 0 FCADLP CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000294759309 214264031 /nfs/dbraw/zinc/26/40/31/214264031.db2.gz IWLFZNLPIJUZKB-MRXNPFEDSA-N 2 2 362.478 0.891 20 0 FCADLP O=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000297746863 214439313 /nfs/dbraw/zinc/43/93/13/214439313.db2.gz FUUGLVCIMZUBSE-KRWDZBQOSA-N 2 2 371.485 0.675 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865141 210237997 /nfs/dbraw/zinc/23/79/97/210237997.db2.gz GFHJOJCSLWSCOM-ROUUACIJSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000265865141 210238001 /nfs/dbraw/zinc/23/80/01/210238001.db2.gz GFHJOJCSLWSCOM-ROUUACIJSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000265865141 210238005 /nfs/dbraw/zinc/23/80/05/210238005.db2.gz GFHJOJCSLWSCOM-ROUUACIJSA-N 2 2 374.485 0.343 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000265865141 210237993 /nfs/dbraw/zinc/23/79/93/210237993.db2.gz GFHJOJCSLWSCOM-ROUUACIJSA-N 2 2 374.485 0.343 20 0 FCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000291183089 214018299 /nfs/dbraw/zinc/01/82/99/214018299.db2.gz SCQVGXFDPZCQCY-HUUCEWRRSA-N 2 2 360.462 0.054 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000410980189 529796463 /nfs/dbraw/zinc/79/64/63/529796463.db2.gz MVVABNVQSFHNBM-DJIMGWMZSA-N 2 2 358.442 0.614 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@@H]2C1 ZINC000410980189 529796464 /nfs/dbraw/zinc/79/64/64/529796464.db2.gz MVVABNVQSFHNBM-DJIMGWMZSA-N 2 2 358.442 0.614 20 0 FCADLP C[C@H](CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C[NH+]1CCOCC1 ZINC000265693287 210198137 /nfs/dbraw/zinc/19/81/37/210198137.db2.gz HEDHYTIEJDDVRN-CQSZACIVSA-N 2 2 372.429 0.290 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000409448428 529861646 /nfs/dbraw/zinc/86/16/46/529861646.db2.gz KKAQTWWZKMXWMO-HNNXBMFYSA-N 2 2 355.508 0.362 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000409448428 529861648 /nfs/dbraw/zinc/86/16/48/529861648.db2.gz KKAQTWWZKMXWMO-HNNXBMFYSA-N 2 2 355.508 0.362 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000409448428 529861649 /nfs/dbraw/zinc/86/16/49/529861649.db2.gz KKAQTWWZKMXWMO-HNNXBMFYSA-N 2 2 355.508 0.362 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000409448428 529861650 /nfs/dbraw/zinc/86/16/50/529861650.db2.gz KKAQTWWZKMXWMO-HNNXBMFYSA-N 2 2 355.508 0.362 20 0 FCADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512163 215008030 /nfs/dbraw/zinc/00/80/30/215008030.db2.gz MKMMEFXOJHNQGS-HOTGVXAUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000331512163 215008034 /nfs/dbraw/zinc/00/80/34/215008034.db2.gz MKMMEFXOJHNQGS-HOTGVXAUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000331512163 215008035 /nfs/dbraw/zinc/00/80/35/215008035.db2.gz MKMMEFXOJHNQGS-HOTGVXAUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000331512163 215008037 /nfs/dbraw/zinc/00/80/37/215008037.db2.gz MKMMEFXOJHNQGS-HOTGVXAUSA-N 2 2 366.506 0.251 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000331567153 215016087 /nfs/dbraw/zinc/01/60/87/215016087.db2.gz UQTCMCOLRIRTHF-UHFFFAOYSA-N 2 2 362.449 0.794 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000331593678 215020156 /nfs/dbraw/zinc/02/01/56/215020156.db2.gz UNNRBYYUGRPFHX-IHRRRGAJSA-N 2 2 350.442 0.622 20 0 FCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H]2CCN(C)C2=O)cc[nH+]1 ZINC000331593678 215020159 /nfs/dbraw/zinc/02/01/59/215020159.db2.gz UNNRBYYUGRPFHX-IHRRRGAJSA-N 2 2 350.442 0.622 20 0 FCADLP CN(C(=O)c1ccn(C)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331600753 215021086 /nfs/dbraw/zinc/02/10/86/215021086.db2.gz IIAKCLBCENZEIH-UHFFFAOYSA-N 2 2 361.490 0.336 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000331602490 215021620 /nfs/dbraw/zinc/02/16/20/215021620.db2.gz VRUJQKYTGLDFGG-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000331602490 215021623 /nfs/dbraw/zinc/02/16/23/215021623.db2.gz VRUJQKYTGLDFGG-OAHLLOKOSA-N 2 2 353.511 0.665 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000331636357 215026975 /nfs/dbraw/zinc/02/69/75/215026975.db2.gz SERSTAXNKNFMSS-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000331636357 215026978 /nfs/dbraw/zinc/02/69/78/215026978.db2.gz SERSTAXNKNFMSS-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000331646194 215028234 /nfs/dbraw/zinc/02/82/34/215028234.db2.gz VPDLFLBHMAWQQF-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000331646194 215028237 /nfs/dbraw/zinc/02/82/37/215028237.db2.gz VPDLFLBHMAWQQF-IKGGRYGDSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)Nc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC000265149261 210063922 /nfs/dbraw/zinc/06/39/22/210063922.db2.gz YEYPEFVYOPOOLK-QWHCGFSZSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)Nc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cs1 ZINC000265149261 210063924 /nfs/dbraw/zinc/06/39/24/210063924.db2.gz YEYPEFVYOPOOLK-QWHCGFSZSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NCc1csc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000265149261 210063928 /nfs/dbraw/zinc/06/39/28/210063928.db2.gz YEYPEFVYOPOOLK-QWHCGFSZSA-N 2 2 351.476 0.886 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)NCc1csc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000265149261 210063931 /nfs/dbraw/zinc/06/39/31/210063931.db2.gz YEYPEFVYOPOOLK-QWHCGFSZSA-N 2 2 351.476 0.886 20 0 FCADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)Nc1ccccc1F ZINC000331908513 215065978 /nfs/dbraw/zinc/06/59/78/215065978.db2.gz ANQCQOHSEHKLRU-UHFFFAOYSA-N 2 2 351.422 0.923 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCC[C@@](C)(O)C3)CC2)CC1 ZINC000332049985 215084391 /nfs/dbraw/zinc/08/43/91/215084391.db2.gz LMNKZPBERFJBLR-LJQANCHMSA-N 2 2 366.506 0.035 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000332065407 215086557 /nfs/dbraw/zinc/08/65/57/215086557.db2.gz RNZQKLSDJQQKAO-OKILXGFUSA-N 2 2 374.489 0.387 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000332087357 215090782 /nfs/dbraw/zinc/09/07/82/215090782.db2.gz SJTAZMVJUWRDPR-IRXDYDNUSA-N 2 2 373.501 0.980 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000332087357 215090784 /nfs/dbraw/zinc/09/07/84/215090784.db2.gz SJTAZMVJUWRDPR-IRXDYDNUSA-N 2 2 373.501 0.980 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000332126452 215097690 /nfs/dbraw/zinc/09/76/90/215097690.db2.gz CZNWMNIKIATRAP-CYBMUJFWSA-N 2 2 351.451 0.944 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000332126452 215097693 /nfs/dbraw/zinc/09/76/93/215097693.db2.gz CZNWMNIKIATRAP-CYBMUJFWSA-N 2 2 351.451 0.944 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000332126452 215097697 /nfs/dbraw/zinc/09/76/97/215097697.db2.gz CZNWMNIKIATRAP-CYBMUJFWSA-N 2 2 351.451 0.944 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000332126452 215097700 /nfs/dbraw/zinc/09/77/00/215097700.db2.gz CZNWMNIKIATRAP-CYBMUJFWSA-N 2 2 351.451 0.944 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938376 210020713 /nfs/dbraw/zinc/02/07/13/210020713.db2.gz PXYPDQREQSWUFM-MJGOQNOKSA-N 2 2 360.502 0.546 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264938376 210020717 /nfs/dbraw/zinc/02/07/17/210020717.db2.gz PXYPDQREQSWUFM-MJGOQNOKSA-N 2 2 360.502 0.546 20 0 FCADLP O=C(NCC[NH+]1CCSCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000264854910 210001229 /nfs/dbraw/zinc/00/12/29/210001229.db2.gz JKAHKCGGMVWHQK-UHFFFAOYSA-N 2 2 360.443 0.371 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332368723 215138272 /nfs/dbraw/zinc/13/82/72/215138272.db2.gz UURPVIAGTULJQP-WCXIOVBPSA-N 2 2 366.506 0.155 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000332496871 215161495 /nfs/dbraw/zinc/16/14/95/215161495.db2.gz FAYGHZFATSSOFB-OAHLLOKOSA-N 2 2 359.474 0.624 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000332499662 215162348 /nfs/dbraw/zinc/16/23/48/215162348.db2.gz YMHIRUSEKKEKHY-KBPBESRZSA-N 2 2 350.488 0.774 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000332510733 215164838 /nfs/dbraw/zinc/16/48/38/215164838.db2.gz DMFKSEXBNKYZRD-OAGGEKHMSA-N 2 2 359.474 0.496 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000332517278 215166463 /nfs/dbraw/zinc/16/64/63/215166463.db2.gz IDYBCHMNAAYDJL-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[C@H]1[NH3+] ZINC000332551155 215176738 /nfs/dbraw/zinc/17/67/38/215176738.db2.gz PRUGNTQWDLRLLW-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[C@H]1[NH3+] ZINC000332551155 215176745 /nfs/dbraw/zinc/17/67/45/215176745.db2.gz PRUGNTQWDLRLLW-SOLBZPMBSA-N 2 2 358.486 0.915 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1(C)C ZINC000333025608 215225815 /nfs/dbraw/zinc/22/58/15/215225815.db2.gz AYOHEAWMUYWRPS-UHFFFAOYSA-N 2 2 368.526 0.653 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1(C)C ZINC000333025608 215225819 /nfs/dbraw/zinc/22/58/19/215225819.db2.gz AYOHEAWMUYWRPS-UHFFFAOYSA-N 2 2 368.526 0.653 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068136 215231455 /nfs/dbraw/zinc/23/14/55/215231455.db2.gz JMMKWRHBLDRPDD-NVXWUHKLSA-N 2 2 357.520 0.440 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000333068136 215231459 /nfs/dbraw/zinc/23/14/59/215231459.db2.gz JMMKWRHBLDRPDD-NVXWUHKLSA-N 2 2 357.520 0.440 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000333077704 215232230 /nfs/dbraw/zinc/23/22/30/215232230.db2.gz AFFFYJGSCXPVMY-CYBMUJFWSA-N 2 2 367.475 0.188 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CC[NH2+]C3)c2)CC1 ZINC000333087231 215234593 /nfs/dbraw/zinc/23/45/93/215234593.db2.gz BUTZWJIXRRAIEZ-AWEZNQCLSA-N 2 2 367.475 0.106 20 0 FCADLP C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333126851 215239255 /nfs/dbraw/zinc/23/92/55/215239255.db2.gz VWOVZQZLTZAJQM-CJNGLKHVSA-N 2 2 351.495 0.511 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)C[N@H+]1C1CC1 ZINC000333214699 215251302 /nfs/dbraw/zinc/25/13/02/215251302.db2.gz CGMQWCLJQRTPNJ-NFAWXSAZSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214699 215251305 /nfs/dbraw/zinc/25/13/05/215251305.db2.gz CGMQWCLJQRTPNJ-NFAWXSAZSA-N 2 2 353.467 0.489 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C[NH+]1C1CC1 ZINC000333214699 215251308 /nfs/dbraw/zinc/25/13/08/215251308.db2.gz CGMQWCLJQRTPNJ-NFAWXSAZSA-N 2 2 353.467 0.489 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000333442239 215281591 /nfs/dbraw/zinc/28/15/91/215281591.db2.gz WHAREIFTUZNFQS-RBSFLKMASA-N 2 2 359.478 0.881 20 0 FCADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH+]cn1 ZINC000333442239 215281595 /nfs/dbraw/zinc/28/15/95/215281595.db2.gz WHAREIFTUZNFQS-RBSFLKMASA-N 2 2 359.478 0.881 20 0 FCADLP CCOC1CC(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)([NH+]2CCOCC2)C1 ZINC000333488111 215288564 /nfs/dbraw/zinc/28/85/64/215288564.db2.gz CDESMZNWRGGLNV-LCMLCXGQSA-N 2 2 354.495 0.648 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000333524379 215293210 /nfs/dbraw/zinc/29/32/10/215293210.db2.gz WXYYGTJZNRBNHB-ROUUACIJSA-N 2 2 353.507 0.935 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000333524379 215293214 /nfs/dbraw/zinc/29/32/14/215293214.db2.gz WXYYGTJZNRBNHB-ROUUACIJSA-N 2 2 353.507 0.935 20 0 FCADLP 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ZINC000285154002 213294115 /nfs/dbraw/zinc/29/41/15/213294115.db2.gz MHEGUGBKTZYFHZ-INIZCTEOSA-N 2 2 359.474 0.944 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000284973874 213259661 /nfs/dbraw/zinc/25/96/61/213259661.db2.gz KULRLDFMLBEDRR-UHFFFAOYSA-N 2 2 357.458 0.980 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000284973874 213259663 /nfs/dbraw/zinc/25/96/63/213259663.db2.gz KULRLDFMLBEDRR-UHFFFAOYSA-N 2 2 357.458 0.980 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000284991933 213261518 /nfs/dbraw/zinc/26/15/18/213261518.db2.gz GLWLTGHKCJNXAW-UHFFFAOYSA-N 2 2 351.451 0.036 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000284964325 213257929 /nfs/dbraw/zinc/25/79/29/213257929.db2.gz IBBLMGJHOMHOQY-UHFFFAOYSA-N 2 2 373.457 0.573 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000284964325 213257933 /nfs/dbraw/zinc/25/79/33/213257933.db2.gz IBBLMGJHOMHOQY-UHFFFAOYSA-N 2 2 373.457 0.573 20 0 FCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)cn1 ZINC000284781945 213219458 /nfs/dbraw/zinc/21/94/58/213219458.db2.gz FOMABSSSUVJQSJ-UHFFFAOYSA-N 2 2 372.473 0.991 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC(=O)N1C1CC1 ZINC000284757866 213213561 /nfs/dbraw/zinc/21/35/61/213213561.db2.gz YBBWEDMEVCLKHU-JCKWVBRZSA-N 2 2 359.474 0.930 20 0 FCADLP Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCC(=O)N1C1CC1 ZINC000284757866 213213565 /nfs/dbraw/zinc/21/35/65/213213565.db2.gz YBBWEDMEVCLKHU-JCKWVBRZSA-N 2 2 359.474 0.930 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000284489409 213152349 /nfs/dbraw/zinc/15/23/49/213152349.db2.gz RSLXPTAPPUTFFJ-GJZGRUSLSA-N 2 2 371.441 0.789 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)NCC[N@H+](C)CCOC)c[nH+]1 ZINC000284446655 213141100 /nfs/dbraw/zinc/14/11/00/213141100.db2.gz MCNKTTTVZRLAHW-UHFFFAOYSA-N 2 2 365.478 0.238 20 0 FCADLP CCN(CC)c1ccc(CNC(=O)C(=O)NCC[N@@H+](C)CCOC)c[nH+]1 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2 364.515 0.571 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000283941528 213040334 /nfs/dbraw/zinc/04/03/34/213040334.db2.gz KSRINMWWEAKMJH-ZFWWWQNUSA-N 2 2 355.442 0.734 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[N@H+]1C1CC1 ZINC000283941528 213040338 /nfs/dbraw/zinc/04/03/38/213040338.db2.gz KSRINMWWEAKMJH-ZFWWWQNUSA-N 2 2 355.442 0.734 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283888737 213028510 /nfs/dbraw/zinc/02/85/10/213028510.db2.gz IFPAWJZEWMWOIS-BBRMVZONSA-N 2 2 355.442 0.592 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283888737 213028511 /nfs/dbraw/zinc/02/85/11/213028511.db2.gz IFPAWJZEWMWOIS-BBRMVZONSA-N 2 2 355.442 0.592 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCSC1 ZINC000283846876 213018117 /nfs/dbraw/zinc/01/81/17/213018117.db2.gz ASTZPSTZFZVDPH-DYVFJYSZSA-N 2 2 365.503 0.669 20 0 FCADLP 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/nfs/dbraw/zinc/21/26/81/216212681.db2.gz NRFWOWPYIGZXIP-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1CCOC ZINC000368179431 216212684 /nfs/dbraw/zinc/21/26/84/216212684.db2.gz NRFWOWPYIGZXIP-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179431 216212686 /nfs/dbraw/zinc/21/26/86/216212686.db2.gz NRFWOWPYIGZXIP-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP CC[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1CCOC ZINC000368179431 216212689 /nfs/dbraw/zinc/21/26/89/216212689.db2.gz NRFWOWPYIGZXIP-RDJZCZTQSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246329869 209384995 /nfs/dbraw/zinc/38/49/95/209384995.db2.gz AYNQOXOGYFYEDM-VSZNYVQBSA-N 2 2 368.522 0.990 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000246349311 209384177 /nfs/dbraw/zinc/38/41/77/209384177.db2.gz HPAZSJJCGKIXEJ-DOTOQJQBSA-N 2 2 355.504 0.943 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000246349311 209384179 /nfs/dbraw/zinc/38/41/79/209384179.db2.gz HPAZSJJCGKIXEJ-DOTOQJQBSA-N 2 2 355.504 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000246509469 209389451 /nfs/dbraw/zinc/38/94/51/209389451.db2.gz URORZYBZBCVXJE-YVSFHVDLSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000246509469 209389455 /nfs/dbraw/zinc/38/94/55/209389455.db2.gz URORZYBZBCVXJE-YVSFHVDLSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000246509469 209389460 /nfs/dbraw/zinc/38/94/60/209389460.db2.gz URORZYBZBCVXJE-YVSFHVDLSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000246509469 209389463 /nfs/dbraw/zinc/38/94/63/209389463.db2.gz URORZYBZBCVXJE-YVSFHVDLSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000246416359 209386909 /nfs/dbraw/zinc/38/69/09/209386909.db2.gz LQSPDDZLMIZPBP-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000246416359 209386914 /nfs/dbraw/zinc/38/69/14/209386914.db2.gz LQSPDDZLMIZPBP-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000246229863 209382920 /nfs/dbraw/zinc/38/29/20/209382920.db2.gz HONATVDUFFKUOF-IEZWGBDMSA-N 2 2 374.485 0.372 20 0 FCADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000237919340 209360801 /nfs/dbraw/zinc/36/08/01/209360801.db2.gz NDKGPJWNZJCDNG-QGZVFWFLSA-N 2 2 355.442 0.859 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000237868425 209358959 /nfs/dbraw/zinc/35/89/59/209358959.db2.gz QQBROXSCLUGXCU-HZPDHXFCSA-N 2 2 359.474 0.754 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237775763 209358076 /nfs/dbraw/zinc/35/80/76/209358076.db2.gz XBJKUWWCWLBILS-HOTGVXAUSA-N 2 2 368.547 0.627 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000237498881 209353050 /nfs/dbraw/zinc/35/30/50/209353050.db2.gz TUFYJMFFNSENAX-FUHWJXTLSA-N 2 2 358.486 0.712 20 0 FCADLP Cc1nn(C)c(C)c1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195205707 209333664 /nfs/dbraw/zinc/33/36/64/209333664.db2.gz MZRKYYYAQSVESL-UHFFFAOYSA-N 2 2 361.490 0.894 20 0 FCADLP CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000237153822 209347975 /nfs/dbraw/zinc/34/79/75/209347975.db2.gz PTFKOYJGQWVHRN-AEFFLSMTSA-N 2 2 369.469 0.786 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237030440 209346130 /nfs/dbraw/zinc/34/61/30/209346130.db2.gz RYDSBEGJQYGSSX-ALOPSCKCSA-N 2 2 350.507 0.920 20 0 FCADLP CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000236997230 209346171 /nfs/dbraw/zinc/34/61/71/209346171.db2.gz WFLJFUWSELIYSJ-CVEARBPZSA-N 2 2 355.504 0.730 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000194954893 209329255 /nfs/dbraw/zinc/32/92/55/209329255.db2.gz XMSFNOGENADONR-YVSFHVDLSA-N 2 2 356.511 0.846 20 0 FCADLP C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000194954893 209329259 /nfs/dbraw/zinc/32/92/59/209329259.db2.gz XMSFNOGENADONR-YVSFHVDLSA-N 2 2 356.511 0.846 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1)c1ccccc1 ZINC000368390164 216240545 /nfs/dbraw/zinc/24/05/45/216240545.db2.gz NVXAZGCUOPPARW-INIZCTEOSA-N 2 2 368.503 0.158 20 0 FCADLP C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000368634387 216273038 /nfs/dbraw/zinc/27/30/38/216273038.db2.gz UXMGCQSOVRHKLL-CVEARBPZSA-N 2 2 356.492 0.818 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000192150794 209297019 /nfs/dbraw/zinc/29/70/19/209297019.db2.gz RTJQCRAYAFXOOB-KRWDZBQOSA-N 2 2 367.538 0.376 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000369022978 216332876 /nfs/dbraw/zinc/33/28/76/216332876.db2.gz KYRACCKUQUNWNO-IBGZPJMESA-N 2 2 374.485 0.204 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000369022978 216332878 /nfs/dbraw/zinc/33/28/78/216332878.db2.gz KYRACCKUQUNWNO-IBGZPJMESA-N 2 2 374.485 0.204 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)n1 ZINC000369027169 216334779 /nfs/dbraw/zinc/33/47/79/216334779.db2.gz MMWSMQSVLCARBJ-IAGOWNOFSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)C2=O)n1 ZINC000369027169 216334782 /nfs/dbraw/zinc/33/47/82/216334782.db2.gz MMWSMQSVLCARBJ-IAGOWNOFSA-N 2 2 360.506 0.627 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271431 216375006 /nfs/dbraw/zinc/37/50/06/216375006.db2.gz QULSWODKSYOVMR-KRWDZBQOSA-N 2 2 353.507 0.937 20 0 FCADLP C[C@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342493 216387243 /nfs/dbraw/zinc/38/72/43/216387243.db2.gz IXDPKZXFGPUMQW-LMKMVOKYSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@H]1CC[S@](=O)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000369342493 216387245 /nfs/dbraw/zinc/38/72/45/216387245.db2.gz IXDPKZXFGPUMQW-LMKMVOKYSA-N 2 2 364.515 0.963 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392672 216393691 /nfs/dbraw/zinc/39/36/91/216393691.db2.gz IVNZAUIUMWOMFW-GJZGRUSLSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](CN1CCCC1=O)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392672 216393694 /nfs/dbraw/zinc/39/36/94/216393694.db2.gz IVNZAUIUMWOMFW-GJZGRUSLSA-N 2 2 351.495 0.465 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000189365594 209250106 /nfs/dbraw/zinc/25/01/06/209250106.db2.gz RKJUYNQHKQNEIB-LJQANCHMSA-N 2 2 374.529 0.638 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000187104737 209207112 /nfs/dbraw/zinc/20/71/12/209207112.db2.gz VZFORGVBVZGILD-UHFFFAOYSA-N 2 2 373.501 0.931 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000186623876 209193932 /nfs/dbraw/zinc/19/39/32/209193932.db2.gz BZPXZVBMKVPFPL-HZPDHXFCSA-N 3 2 355.527 0.109 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000186623876 209193934 /nfs/dbraw/zinc/19/39/34/209193934.db2.gz BZPXZVBMKVPFPL-HZPDHXFCSA-N 3 2 355.527 0.109 20 0 FCADLP C[NH+](C)CCc1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000276034676 212145377 /nfs/dbraw/zinc/14/53/77/212145377.db2.gz FAPJNHGTDCBONT-UHFFFAOYSA-N 2 2 369.531 0.932 20 0 FCADLP COc1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000275632891 212064331 /nfs/dbraw/zinc/06/43/31/212064331.db2.gz CLNJPRAGFUEDEW-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP COc1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000275632891 212064335 /nfs/dbraw/zinc/06/43/35/212064335.db2.gz CLNJPRAGFUEDEW-UHFFFAOYSA-N 2 2 363.462 0.513 20 0 FCADLP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000373086099 216981667 /nfs/dbraw/zinc/98/16/67/216981667.db2.gz AKXPUQYQKLYMAX-IAGOWNOFSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483651 674117248 /nfs/dbraw/zinc/11/72/48/674117248.db2.gz FSAWODRCEDFYTB-NSHDSACASA-N 2 2 354.476 0.563 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000414681285 245310669 /nfs/dbraw/zinc/31/06/69/245310669.db2.gz OTARPQAPWFCADM-KRWDZBQOSA-N 2 2 362.474 0.818 20 0 FCADLP C[C@H]1C[C@@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC[NH2+]1 ZINC000414742665 245318238 /nfs/dbraw/zinc/31/82/38/245318238.db2.gz NSVXPKYKYNSGKZ-IRXDYDNUSA-N 3 2 360.506 0.823 20 0 FCADLP CC[C@H]([NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415027930 245341761 /nfs/dbraw/zinc/34/17/61/245341761.db2.gz XHYBUGAQKZBGIP-ZDUSSCGKSA-N 2 2 369.491 0.482 20 0 FCADLP C[C@H](C[NH3+])CNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000415022859 245342169 /nfs/dbraw/zinc/34/21/69/245342169.db2.gz LTLBQXMVCZLGFX-CYBMUJFWSA-N 2 2 369.491 0.339 20 0 FCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000415235846 245366435 /nfs/dbraw/zinc/36/64/35/245366435.db2.gz XEHOFZNEGIUORX-WMLDXEAASA-N 2 2 360.458 0.666 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000415329805 245386855 /nfs/dbraw/zinc/38/68/55/245386855.db2.gz NKADFLNDKCRCRB-QGZVFWFLSA-N 2 2 359.474 0.241 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442699 217019862 /nfs/dbraw/zinc/01/98/62/217019862.db2.gz VZLWIJIIRXTAKF-OGWOLHLISA-N 3 2 352.523 0.804 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000373442699 217019866 /nfs/dbraw/zinc/01/98/66/217019866.db2.gz VZLWIJIIRXTAKF-OGWOLHLISA-N 3 2 352.523 0.804 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000184987569 209169926 /nfs/dbraw/zinc/16/99/26/209169926.db2.gz AKATVVNMEIBBNY-OAHLLOKOSA-N 2 2 361.494 0.253 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491370 217023554 /nfs/dbraw/zinc/02/35/54/217023554.db2.gz YMKRBNOULBIZGH-MSOLQXFVSA-N 2 2 353.507 0.960 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[NH+]1CCOCC1 ZINC000373491370 217023558 /nfs/dbraw/zinc/02/35/58/217023558.db2.gz YMKRBNOULBIZGH-MSOLQXFVSA-N 2 2 353.507 0.960 20 0 FCADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1COCC[NH+]1C1CCCC1 ZINC000373526405 217028253 /nfs/dbraw/zinc/02/82/53/217028253.db2.gz CRHXRPSEWZIPEU-QZTJIDSGSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1COCC[NH+]1C1CCCC1 ZINC000373526405 217028256 /nfs/dbraw/zinc/02/82/56/217028256.db2.gz CRHXRPSEWZIPEU-QZTJIDSGSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373526405 217028258 /nfs/dbraw/zinc/02/82/58/217028258.db2.gz CRHXRPSEWZIPEU-QZTJIDSGSA-N 2 2 353.507 0.983 20 0 FCADLP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373526405 217028262 /nfs/dbraw/zinc/02/82/62/217028262.db2.gz CRHXRPSEWZIPEU-QZTJIDSGSA-N 2 2 353.507 0.983 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000415359928 245398612 /nfs/dbraw/zinc/39/86/12/245398612.db2.gz YXHXERLXZQOOKS-INIZCTEOSA-N 2 2 373.501 0.583 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000375020113 217206623 /nfs/dbraw/zinc/20/66/23/217206623.db2.gz WTGKZBWIOKIVHC-SJORKVTESA-N 2 2 365.522 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000375020113 217206624 /nfs/dbraw/zinc/20/66/24/217206624.db2.gz WTGKZBWIOKIVHC-SJORKVTESA-N 2 2 365.522 0.807 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415747370 245483504 /nfs/dbraw/zinc/48/35/04/245483504.db2.gz OOMOPCAJBFIEHJ-WBVHZDCISA-N 2 2 372.469 0.525 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299391 217246502 /nfs/dbraw/zinc/24/65/02/217246502.db2.gz HRUDYZOJXKSJAH-HNAYVOBHSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375299391 217246504 /nfs/dbraw/zinc/24/65/04/217246504.db2.gz HRUDYZOJXKSJAH-HNAYVOBHSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375299391 217246506 /nfs/dbraw/zinc/24/65/06/217246506.db2.gz HRUDYZOJXKSJAH-HNAYVOBHSA-N 2 2 363.458 0.233 20 0 FCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375299391 217246508 /nfs/dbraw/zinc/24/65/08/217246508.db2.gz HRUDYZOJXKSJAH-HNAYVOBHSA-N 2 2 363.458 0.233 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376390 217255979 /nfs/dbraw/zinc/25/59/79/217255979.db2.gz BPYJUISSJOCPKU-ZWKOTPCHSA-N 2 2 373.501 0.895 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 ZINC000375376390 217255982 /nfs/dbraw/zinc/25/59/82/217255982.db2.gz BPYJUISSJOCPKU-ZWKOTPCHSA-N 2 2 373.501 0.895 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188151620 209223796 /nfs/dbraw/zinc/22/37/96/209223796.db2.gz AHLSFLVSDCSUFR-UHFFFAOYSA-N 2 2 357.414 0.649 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188151620 209223799 /nfs/dbraw/zinc/22/37/99/209223799.db2.gz AHLSFLVSDCSUFR-UHFFFAOYSA-N 2 2 357.414 0.649 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418807230 245833775 /nfs/dbraw/zinc/83/37/75/245833775.db2.gz PPRXVNXNHFTPBC-AWEZNQCLSA-N 2 2 370.856 0.895 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000418807230 245833778 /nfs/dbraw/zinc/83/37/78/245833778.db2.gz PPRXVNXNHFTPBC-AWEZNQCLSA-N 2 2 370.856 0.895 20 0 FCADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181037402 209107391 /nfs/dbraw/zinc/10/73/91/209107391.db2.gz MFUQUNZAADIPGX-OALUTQOASA-N 2 2 361.486 0.767 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@H](C)[NH2+]1 ZINC000419156275 246022662 /nfs/dbraw/zinc/02/26/62/246022662.db2.gz SVVNKAGUIIEKAS-IYBDPMFKSA-N 2 2 369.469 0.951 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[C@H]1[NH3+] ZINC000419132528 246006228 /nfs/dbraw/zinc/00/62/28/246006228.db2.gz DZFQJGPJZYLXDM-NVXWUHKLSA-N 2 2 369.469 0.938 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC[NH2+]1 ZINC000419132822 246006330 /nfs/dbraw/zinc/00/63/30/246006330.db2.gz FDOGVWAUCACYKS-MRXNPFEDSA-N 2 2 369.469 0.952 20 0 FCADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419148318 246016582 /nfs/dbraw/zinc/01/65/82/246016582.db2.gz IYZBUDAXWZKHOS-MRXNPFEDSA-N 2 2 355.442 0.610 20 0 FCADLP [NH3+][C@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000419149373 246017630 /nfs/dbraw/zinc/01/76/30/246017630.db2.gz KGAZLFHWWYZFNB-INIZCTEOSA-N 2 2 355.442 0.692 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1C[NH3+] ZINC000419212342 246057149 /nfs/dbraw/zinc/05/71/49/246057149.db2.gz ZSVRPEKLSLGUJL-HOCLYGCPSA-N 2 2 359.474 0.741 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1C[NH3+] ZINC000419212343 246058056 /nfs/dbraw/zinc/05/80/56/246058056.db2.gz ZSVRPEKLSLGUJL-ZBFHGGJFSA-N 2 2 359.474 0.741 20 0 FCADLP CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)c[nH+]2)CC1 ZINC000419207944 246054789 /nfs/dbraw/zinc/05/47/89/246054789.db2.gz QKVZXZDBEDFULS-HNNXBMFYSA-N 2 2 359.474 0.741 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C[NH3+] ZINC000419273110 246082420 /nfs/dbraw/zinc/08/24/20/246082420.db2.gz HUOMNLYPNMEKGZ-YJBOKZPZSA-N 2 2 369.469 0.991 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C[NH2+]1 ZINC000419270782 246082955 /nfs/dbraw/zinc/08/29/55/246082955.db2.gz DMVMRYUQQYMFAZ-GJZGRUSLSA-N 2 2 355.442 0.756 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+]1CCc2sccc2C1 ZINC000419232057 246070666 /nfs/dbraw/zinc/07/06/66/246070666.db2.gz KENNDQDOWAZHGU-MGPQQGTHSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@H+]1CCc2sccc2C1 ZINC000419232057 246070670 /nfs/dbraw/zinc/07/06/70/246070670.db2.gz KENNDQDOWAZHGU-MGPQQGTHSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508962 246186310 /nfs/dbraw/zinc/18/63/10/246186310.db2.gz RTDFUJYTPYXWGQ-DLBZAZTESA-N 2 2 373.501 0.134 20 0 FCADLP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000419850528 246322438 /nfs/dbraw/zinc/32/24/38/246322438.db2.gz LWDMILNXYWKWTC-UHFFFAOYSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000419850528 246322443 /nfs/dbraw/zinc/32/24/43/246322443.db2.gz LWDMILNXYWKWTC-UHFFFAOYSA-N 2 2 362.449 0.728 20 0 FCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)c1 ZINC000419850616 246322649 /nfs/dbraw/zinc/32/26/49/246322649.db2.gz LZTIDJRKWKEGFH-HNNXBMFYSA-N 2 2 374.485 0.769 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419859763 246327685 /nfs/dbraw/zinc/32/76/85/246327685.db2.gz ZRDBJVIYLMTNBY-UHFFFAOYSA-N 2 2 374.485 0.468 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000419877295 246343570 /nfs/dbraw/zinc/34/35/70/246343570.db2.gz PSCHACFSIFOJQV-ZIAGYGMSSA-N 2 2 350.488 0.778 20 0 FCADLP C[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000419900810 246360772 /nfs/dbraw/zinc/36/07/72/246360772.db2.gz TWTQDUQHVXXYHS-CYBMUJFWSA-N 2 2 352.866 0.881 20 0 FCADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419910899 246363113 /nfs/dbraw/zinc/36/31/13/246363113.db2.gz RJXZRKCMPZSEMY-AWEZNQCLSA-N 2 2 363.462 0.243 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000419953740 246386406 /nfs/dbraw/zinc/38/64/06/246386406.db2.gz LHAKBKIYFQTMQH-KGLIPLIRSA-N 2 2 350.467 0.105 20 0 FCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000419981055 246399674 /nfs/dbraw/zinc/39/96/74/246399674.db2.gz RRPZXZDCSHQOLC-KGLIPLIRSA-N 2 2 363.462 0.227 20 0 FCADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348466 246549576 /nfs/dbraw/zinc/54/95/76/246549576.db2.gz LXPWSZDSPRZVBJ-OAHLLOKOSA-N 2 2 362.474 0.970 20 0 FCADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420348466 246549583 /nfs/dbraw/zinc/54/95/83/246549583.db2.gz LXPWSZDSPRZVBJ-OAHLLOKOSA-N 2 2 362.474 0.970 20 0 FCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420361590 246551062 /nfs/dbraw/zinc/55/10/62/246551062.db2.gz IBMRMKLUPDVDFJ-XNJGSVPQSA-N 2 2 368.503 0.852 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375113 247016328 /nfs/dbraw/zinc/01/63/28/247016328.db2.gz ITHTWMKCGJQWSR-NHYWBVRUSA-N 2 2 354.401 0.668 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423375113 247016333 /nfs/dbraw/zinc/01/63/33/247016333.db2.gz ITHTWMKCGJQWSR-NHYWBVRUSA-N 2 2 354.401 0.668 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000423325622 247004838 /nfs/dbraw/zinc/00/48/38/247004838.db2.gz QJEOOFMIUFAAPB-MRXNPFEDSA-N 2 2 373.501 0.745 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423320480 247005475 /nfs/dbraw/zinc/00/54/75/247005475.db2.gz GQENSBMGWLWYBZ-ZNMIVQPWSA-N 2 2 354.495 0.140 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423320480 247005477 /nfs/dbraw/zinc/00/54/77/247005477.db2.gz GQENSBMGWLWYBZ-ZNMIVQPWSA-N 2 2 354.495 0.140 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000423550968 247048431 /nfs/dbraw/zinc/04/84/31/247048431.db2.gz IVYLGMUEGGCHHQ-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000423550968 247048433 /nfs/dbraw/zinc/04/84/33/247048433.db2.gz IVYLGMUEGGCHHQ-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]1 ZINC000423582778 247062338 /nfs/dbraw/zinc/06/23/38/247062338.db2.gz YCQBYAAWCNPLSV-AWEZNQCLSA-N 2 2 359.474 0.746 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000423584908 247063454 /nfs/dbraw/zinc/06/34/54/247063454.db2.gz SJGKPWUQBGFMQZ-MRXNPFEDSA-N 2 2 359.474 0.769 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423590972 247065475 /nfs/dbraw/zinc/06/54/75/247065475.db2.gz FEHVKWBJRXJDQA-AWEZNQCLSA-N 2 2 350.488 0.255 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000423590975 247065647 /nfs/dbraw/zinc/06/56/47/247065647.db2.gz FEHVKWBJRXJDQA-CQSZACIVSA-N 2 2 350.488 0.255 20 0 FCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423489852 247034339 /nfs/dbraw/zinc/03/43/39/247034339.db2.gz XRFOPEOOBIDHDL-ZFWWWQNUSA-N 2 2 350.488 0.903 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423524613 247041889 /nfs/dbraw/zinc/04/18/89/247041889.db2.gz ZUEPWHDQKNRQIE-DLBZAZTESA-N 2 2 355.442 0.685 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423673883 247105777 /nfs/dbraw/zinc/10/57/77/247105777.db2.gz OZTFOJXHJOHLSO-IAGOWNOFSA-N 2 2 374.485 0.405 20 0 FCADLP C[C@H]1C[C@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)CC[NH2+]1 ZINC000423616392 247076249 /nfs/dbraw/zinc/07/62/49/247076249.db2.gz FOPZUYZUQVLJCG-UONOGXRCSA-N 2 2 353.488 0.892 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000423646964 247090334 /nfs/dbraw/zinc/09/03/34/247090334.db2.gz ZUNPZIIJOBPKCD-IRXDYDNUSA-N 2 2 374.485 0.418 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423763043 247140014 /nfs/dbraw/zinc/14/00/14/247140014.db2.gz TXCJJQOXZYXDFB-MAUKXSAKSA-N 2 2 363.458 0.656 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423760007 247140307 /nfs/dbraw/zinc/14/03/07/247140307.db2.gz PRGPJIISBZVGDA-CVEARBPZSA-N 2 2 355.479 0.346 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000423807776 247141387 /nfs/dbraw/zinc/14/13/87/247141387.db2.gz KEGCLYCWSHPUQJ-MSOLQXFVSA-N 2 2 363.458 0.725 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000423813202 247143381 /nfs/dbraw/zinc/14/33/81/247143381.db2.gz RSHGNIUNKBQACA-MRXNPFEDSA-N 2 2 363.458 0.597 20 0 FCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000423895796 247148367 /nfs/dbraw/zinc/14/83/67/247148367.db2.gz IJSMIVDYSVGMQV-MSOLQXFVSA-N 2 2 356.470 0.684 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423995980 247159376 /nfs/dbraw/zinc/15/93/76/247159376.db2.gz VPFHGWPHACMOHC-PBHICJAKSA-N 2 2 350.438 0.441 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000423712248 247120752 /nfs/dbraw/zinc/12/07/52/247120752.db2.gz CVQKTNWMHXECFG-HNNXBMFYSA-N 2 2 362.474 0.535 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423717683 247122547 /nfs/dbraw/zinc/12/25/47/247122547.db2.gz AOOIKHGCOLNPIA-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000423724463 247126683 /nfs/dbraw/zinc/12/66/83/247126683.db2.gz HGXASAPVUYCOGE-BHIYHBOVSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[C@@H]1C[NH3+] ZINC000423724463 247126688 /nfs/dbraw/zinc/12/66/88/247126688.db2.gz HGXASAPVUYCOGE-BHIYHBOVSA-N 2 2 372.513 0.958 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000423748148 247136488 /nfs/dbraw/zinc/13/64/88/247136488.db2.gz ALFCXWWDOULDFS-OAHLLOKOSA-N 2 2 355.479 0.346 20 0 FCADLP COCCNC(=O)CN1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424307329 247195295 /nfs/dbraw/zinc/19/52/95/247195295.db2.gz XJZADGRGQMAJIR-MRXNPFEDSA-N 2 2 352.454 0.248 20 0 FCADLP COCCNC(=O)C[NH+]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424307329 247195297 /nfs/dbraw/zinc/19/52/97/247195297.db2.gz XJZADGRGQMAJIR-MRXNPFEDSA-N 2 2 352.454 0.248 20 0 FCADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000424335282 247196929 /nfs/dbraw/zinc/19/69/29/247196929.db2.gz PDVCBSWSJHLAAD-NOXHYTERSA-N 2 2 368.503 0.759 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000424440799 247215194 /nfs/dbraw/zinc/21/51/94/247215194.db2.gz RVZWDNIMFYQZIP-QGZVFWFLSA-N 2 2 362.474 0.865 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424451598 247221150 /nfs/dbraw/zinc/22/11/50/247221150.db2.gz FASOVOBRSIHUFY-HZPDHXFCSA-N 2 2 374.489 0.852 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)C[C@H]2[NH3+])cn1 ZINC000424549637 247260408 /nfs/dbraw/zinc/26/04/08/247260408.db2.gz RWPXMFYZAUMWJV-RRFJBIMHSA-N 2 2 371.445 0.150 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000424554802 247261344 /nfs/dbraw/zinc/26/13/44/247261344.db2.gz SOCMOJCDELRCCG-QWHCGFSZSA-N 2 2 369.416 0.546 20 0 FCADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424554260 247261472 /nfs/dbraw/zinc/26/14/72/247261472.db2.gz RYVFOXQKTGUJEZ-KBPBESRZSA-N 2 2 360.449 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@H+]1C ZINC000425404849 247337358 /nfs/dbraw/zinc/33/73/58/247337358.db2.gz QDBGMSLILDWISW-CALCHBBNSA-N 2 2 358.486 0.882 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[N@@H+]1C ZINC000425404849 247337362 /nfs/dbraw/zinc/33/73/62/247337362.db2.gz QDBGMSLILDWISW-CALCHBBNSA-N 2 2 358.486 0.882 20 0 FCADLP CN(C)c1[nH+]cc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)n1C ZINC000425331181 247325740 /nfs/dbraw/zinc/32/57/40/247325740.db2.gz XEOTVAYHJXGUBH-UHFFFAOYSA-N 2 2 370.501 0.920 20 0 FCADLP C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435618819 248003241 /nfs/dbraw/zinc/00/32/41/248003241.db2.gz VASRRKPRIBVABE-OAHLLOKOSA-N 2 2 368.503 0.067 20 0 FCADLP C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435618819 248003243 /nfs/dbraw/zinc/00/32/43/248003243.db2.gz VASRRKPRIBVABE-OAHLLOKOSA-N 2 2 368.503 0.067 20 0 FCADLP C[C@H]1C[NH+](CCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H](C)O1 ZINC000435549761 248000019 /nfs/dbraw/zinc/00/00/19/248000019.db2.gz LWLSYQZACXCXCF-KBPBESRZSA-N 2 2 352.483 0.785 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567075 248001185 /nfs/dbraw/zinc/00/11/85/248001185.db2.gz PHCXTZOOTGVVLY-HUUCEWRRSA-N 2 2 359.474 0.900 20 0 FCADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567610 248001871 /nfs/dbraw/zinc/00/18/71/248001871.db2.gz QYROSONPIXSXRM-CABCVRRESA-N 2 2 359.474 0.759 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435628399 248005937 /nfs/dbraw/zinc/00/59/37/248005937.db2.gz UUWMBNAFMQNDCB-ZDUSSCGKSA-N 2 2 354.476 0.655 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435628399 248005939 /nfs/dbraw/zinc/00/59/39/248005939.db2.gz UUWMBNAFMQNDCB-ZDUSSCGKSA-N 2 2 354.476 0.655 20 0 FCADLP Cn1cc[nH+]c1CN(CC(=O)NC(=O)NC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692191 248010410 /nfs/dbraw/zinc/01/04/10/248010410.db2.gz FSDZRLCBWRATRJ-CQSZACIVSA-N 2 2 360.462 0.352 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000436052774 248028885 /nfs/dbraw/zinc/02/88/85/248028885.db2.gz DDKAQWRQBPRCTB-OAHLLOKOSA-N 2 2 361.446 0.654 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000436052774 248028887 /nfs/dbraw/zinc/02/88/87/248028887.db2.gz DDKAQWRQBPRCTB-OAHLLOKOSA-N 2 2 361.446 0.654 20 0 FCADLP C[C@@H]1[NH2+]CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000436060855 248030419 /nfs/dbraw/zinc/03/04/19/248030419.db2.gz GOEIAEHJNLMIOI-IRXDYDNUSA-N 2 2 372.513 0.948 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+]1CC(C)(C)O ZINC000436222815 248036244 /nfs/dbraw/zinc/03/62/44/248036244.db2.gz MNKMJVBQNNVTDC-CYBMUJFWSA-N 2 2 352.483 0.473 20 0 FCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+]1CC(C)(C)O ZINC000436222815 248036247 /nfs/dbraw/zinc/03/62/47/248036247.db2.gz MNKMJVBQNNVTDC-CYBMUJFWSA-N 2 2 352.483 0.473 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000440288387 248170755 /nfs/dbraw/zinc/17/07/55/248170755.db2.gz XYXGCNBTUZRKDI-CQSZACIVSA-N 2 2 362.478 0.641 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000440288387 248170759 /nfs/dbraw/zinc/17/07/59/248170759.db2.gz XYXGCNBTUZRKDI-CQSZACIVSA-N 2 2 362.478 0.641 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000441375963 248251064 /nfs/dbraw/zinc/25/10/64/248251064.db2.gz ZSLWYIUMELTDNL-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000441375963 248251065 /nfs/dbraw/zinc/25/10/65/248251065.db2.gz ZSLWYIUMELTDNL-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000441375963 248251067 /nfs/dbraw/zinc/25/10/67/248251067.db2.gz ZSLWYIUMELTDNL-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000441375963 248251068 /nfs/dbraw/zinc/25/10/68/248251068.db2.gz ZSLWYIUMELTDNL-KRWDZBQOSA-N 2 2 367.538 0.025 20 0 FCADLP CN(C(=O)C1CC(F)(F)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000440561447 248196240 /nfs/dbraw/zinc/19/62/40/248196240.db2.gz JVRJLLSAYRHYIJ-UHFFFAOYSA-N 2 2 372.460 0.729 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763434 248296115 /nfs/dbraw/zinc/29/61/15/248296115.db2.gz IZQGQMZKWBHEQM-MCIONIFRSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442763434 248296117 /nfs/dbraw/zinc/29/61/17/248296117.db2.gz IZQGQMZKWBHEQM-MCIONIFRSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1CO ZINC000442897760 248298955 /nfs/dbraw/zinc/29/89/55/248298955.db2.gz YXXYBCSLHAZJFZ-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1CO ZINC000442897760 248298957 /nfs/dbraw/zinc/29/89/57/248298957.db2.gz YXXYBCSLHAZJFZ-APWZRJJASA-N 2 2 361.486 0.838 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1)c1ccccc1F ZINC000444179917 248349547 /nfs/dbraw/zinc/34/95/47/248349547.db2.gz GLKCTENSPUSTDE-JXFKEZNVSA-N 2 2 374.460 0.699 20 0 FCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000446359741 248387858 /nfs/dbraw/zinc/38/78/58/248387858.db2.gz LSNAFYVAXSEWNX-SFHVURJKSA-N 3 2 352.523 0.630 20 0 FCADLP C[C@@H]1CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000446369983 248388410 /nfs/dbraw/zinc/38/84/10/248388410.db2.gz IVYGLTXDRKMHJI-GMKVZWAMSA-N 2 2 351.491 0.698 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000271170984 211349113 /nfs/dbraw/zinc/34/91/13/211349113.db2.gz XIJNGVBZUCEXIR-HOTGVXAUSA-N 2 2 362.474 0.891 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000270529029 211218332 /nfs/dbraw/zinc/21/83/32/211218332.db2.gz TYKGPDFZRSXTFX-HZPDHXFCSA-N 2 2 358.446 0.819 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000470019256 250021815 /nfs/dbraw/zinc/02/18/15/250021815.db2.gz FCWSGBQZOAKHAV-UHFFFAOYSA-N 2 2 371.441 0.712 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000470019256 250021820 /nfs/dbraw/zinc/02/18/20/250021820.db2.gz FCWSGBQZOAKHAV-UHFFFAOYSA-N 2 2 371.441 0.712 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000469786566 250002958 /nfs/dbraw/zinc/00/29/58/250002958.db2.gz OMTXEXCULPOPPS-XHSDSOJGSA-N 2 2 356.511 0.306 20 0 FCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000469786566 250002962 /nfs/dbraw/zinc/00/29/62/250002962.db2.gz OMTXEXCULPOPPS-XHSDSOJGSA-N 2 2 356.511 0.306 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000470004807 250021443 /nfs/dbraw/zinc/02/14/43/250021443.db2.gz VGSQFLDCLLBBSY-UHFFFAOYSA-N 2 2 365.478 0.315 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000470004807 250021446 /nfs/dbraw/zinc/02/14/46/250021446.db2.gz VGSQFLDCLLBBSY-UHFFFAOYSA-N 2 2 365.478 0.315 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCO1 ZINC000470454697 250045600 /nfs/dbraw/zinc/04/56/00/250045600.db2.gz AXHLUCTWQXDPEJ-KRWDZBQOSA-N 2 2 363.506 0.859 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CCO1 ZINC000470454697 250045602 /nfs/dbraw/zinc/04/56/02/250045602.db2.gz AXHLUCTWQXDPEJ-KRWDZBQOSA-N 2 2 363.506 0.859 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCOCC[NH+](C)C)cn1 ZINC000472198067 250137840 /nfs/dbraw/zinc/13/78/40/250137840.db2.gz PZGDUUKNFZNRKB-HOTGVXAUSA-N 2 2 370.473 0.210 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCOCC[NH+](C)C)cn1 ZINC000472198067 250137843 /nfs/dbraw/zinc/13/78/43/250137843.db2.gz PZGDUUKNFZNRKB-HOTGVXAUSA-N 2 2 370.473 0.210 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234025 250138963 /nfs/dbraw/zinc/13/89/63/250138963.db2.gz SALSFOBQRFBFSY-GOSISDBHSA-N 2 2 372.517 0.789 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234025 250138967 /nfs/dbraw/zinc/13/89/67/250138967.db2.gz SALSFOBQRFBFSY-GOSISDBHSA-N 2 2 372.517 0.789 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234025 250138972 /nfs/dbraw/zinc/13/89/72/250138972.db2.gz SALSFOBQRFBFSY-GOSISDBHSA-N 2 2 372.517 0.789 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472234025 250138974 /nfs/dbraw/zinc/13/89/74/250138974.db2.gz SALSFOBQRFBFSY-GOSISDBHSA-N 2 2 372.517 0.789 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000472232074 250139179 /nfs/dbraw/zinc/13/91/79/250139179.db2.gz RTPZRDCZHPRXPR-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000472232074 250139184 /nfs/dbraw/zinc/13/91/84/250139184.db2.gz RTPZRDCZHPRXPR-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000269894710 211110895 /nfs/dbraw/zinc/11/08/95/211110895.db2.gz DWVLAEDIYLXZKG-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000269894710 211110900 /nfs/dbraw/zinc/11/09/00/211110900.db2.gz DWVLAEDIYLXZKG-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000269894710 211110903 /nfs/dbraw/zinc/11/09/03/211110903.db2.gz DWVLAEDIYLXZKG-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000269894710 211110909 /nfs/dbraw/zinc/11/09/09/211110909.db2.gz DWVLAEDIYLXZKG-QGZVFWFLSA-N 2 2 362.449 0.728 20 0 FCADLP CS(=O)(=O)CCOCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000269878935 211107508 /nfs/dbraw/zinc/10/75/08/211107508.db2.gz XSBHIXRCTIEGJS-UHFFFAOYSA-N 2 2 362.415 0.684 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817812 211088380 /nfs/dbraw/zinc/08/83/80/211088380.db2.gz BEAGTHXDVCUPFV-CABCVRRESA-N 2 2 360.462 0.299 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269817812 211088384 /nfs/dbraw/zinc/08/83/84/211088384.db2.gz BEAGTHXDVCUPFV-CABCVRRESA-N 2 2 360.462 0.299 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000474020745 250264152 /nfs/dbraw/zinc/26/41/52/250264152.db2.gz KDIXXFYTVPONHU-UHFFFAOYSA-N 2 2 356.511 0.632 20 0 FCADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000474020745 250264156 /nfs/dbraw/zinc/26/41/56/250264156.db2.gz KDIXXFYTVPONHU-UHFFFAOYSA-N 2 2 356.511 0.632 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000480888410 250292202 /nfs/dbraw/zinc/29/22/02/250292202.db2.gz YVQNHPQWKQRLJV-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000480888410 250292206 /nfs/dbraw/zinc/29/22/06/250292206.db2.gz YVQNHPQWKQRLJV-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000480905557 250294592 /nfs/dbraw/zinc/29/45/92/250294592.db2.gz YZRCEHHJOIJBFI-KGLIPLIRSA-N 2 2 357.524 0.775 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000480905557 250294596 /nfs/dbraw/zinc/29/45/96/250294596.db2.gz YZRCEHHJOIJBFI-KGLIPLIRSA-N 2 2 357.524 0.775 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000480965562 250303333 /nfs/dbraw/zinc/30/33/33/250303333.db2.gz BIFYQBARNTUXFR-YESZJQIVSA-N 2 2 368.522 0.260 20 0 FCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000482631769 250396011 /nfs/dbraw/zinc/39/60/11/250396011.db2.gz PDKKBJNGEJVIRN-ZBFHGGJFSA-N 2 2 371.503 0.281 20 0 FCADLP CC1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000481870080 250368098 /nfs/dbraw/zinc/36/80/98/250368098.db2.gz SBSSTOULJFMCRK-KBPBESRZSA-N 2 2 358.446 0.813 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000481867968 250368343 /nfs/dbraw/zinc/36/83/43/250368343.db2.gz BZBICIFHRMJYSR-KFGODFMUSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000481867968 250368347 /nfs/dbraw/zinc/36/83/47/250368347.db2.gz BZBICIFHRMJYSR-KFGODFMUSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000481867968 250368352 /nfs/dbraw/zinc/36/83/52/250368352.db2.gz BZBICIFHRMJYSR-KFGODFMUSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000481867968 250368358 /nfs/dbraw/zinc/36/83/58/250368358.db2.gz BZBICIFHRMJYSR-KFGODFMUSA-N 2 2 364.534 0.974 20 0 FCADLP COC(=O)COc1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000481999501 250375334 /nfs/dbraw/zinc/37/53/34/250375334.db2.gz PFHSUKPBPAFWTP-UHFFFAOYSA-N 2 2 363.458 0.994 20 0 FCADLP CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000482005329 250375466 /nfs/dbraw/zinc/37/54/66/250375466.db2.gz KOSVMUKGRKKRGE-HNNXBMFYSA-N 2 2 374.551 0.190 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000167530027 532976951 /nfs/dbraw/zinc/97/69/51/532976951.db2.gz HONMDXRXVZNUPZ-QGZVFWFLSA-N 2 2 359.430 0.862 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1(C)C ZINC000359864518 533011135 /nfs/dbraw/zinc/01/11/35/533011135.db2.gz BRRQYJDGJXYQJT-AWEZNQCLSA-N 2 2 355.479 0.344 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1(C)C ZINC000359864518 533011140 /nfs/dbraw/zinc/01/11/40/533011140.db2.gz BRRQYJDGJXYQJT-AWEZNQCLSA-N 2 2 355.479 0.344 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N(C)C3CC3)CC2)CC1 ZINC000066568263 208018194 /nfs/dbraw/zinc/01/81/94/208018194.db2.gz DAJFNFBGTQRYKX-UHFFFAOYSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804568 208035195 /nfs/dbraw/zinc/03/51/95/208035195.db2.gz QWWLETQQBZVZAY-JKSUJKDBSA-N 2 2 366.506 0.143 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804568 208035199 /nfs/dbraw/zinc/03/51/99/208035199.db2.gz QWWLETQQBZVZAY-JKSUJKDBSA-N 2 2 366.506 0.143 20 0 FCADLP NC(=O)CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000077168793 208069162 /nfs/dbraw/zinc/06/91/62/208069162.db2.gz GWCXLUBWFZASFA-UHFFFAOYSA-N 2 2 364.515 0.980 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000079432723 208088235 /nfs/dbraw/zinc/08/82/35/208088235.db2.gz VLIBDGIDUHAPNG-SFHVURJKSA-N 2 2 373.501 0.895 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000079432723 208088241 /nfs/dbraw/zinc/08/82/41/208088241.db2.gz VLIBDGIDUHAPNG-SFHVURJKSA-N 2 2 373.501 0.895 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000081541853 208103255 /nfs/dbraw/zinc/10/32/55/208103255.db2.gz AHTQMNMLOKCFSB-UHFFFAOYSA-N 2 2 373.501 0.772 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@@H+]1C1CC1 ZINC000090081331 208127322 /nfs/dbraw/zinc/12/73/22/208127322.db2.gz UGKNIFNTGNNWTB-UKRRQHHQSA-N 2 2 367.519 0.788 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C[N@H+]1C1CC1 ZINC000090081331 208127329 /nfs/dbraw/zinc/12/73/29/208127329.db2.gz UGKNIFNTGNNWTB-UKRRQHHQSA-N 2 2 367.519 0.788 20 0 FCADLP C[C@@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000101641860 208165213 /nfs/dbraw/zinc/16/52/13/208165213.db2.gz NBYRVVXYIAAVHG-IBGZPJMESA-N 2 2 373.545 0.556 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000105070282 208190022 /nfs/dbraw/zinc/19/00/22/208190022.db2.gz LQSPDDZLMIZPBP-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000105070282 208190027 /nfs/dbraw/zinc/19/00/27/208190027.db2.gz LQSPDDZLMIZPBP-KSZLIROESA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000105070287 208190987 /nfs/dbraw/zinc/19/09/87/208190987.db2.gz LQSPDDZLMIZPBP-KURKYZTESA-N 2 2 368.522 0.992 20 0 FCADLP CC[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)CC1 ZINC000105248622 208195676 /nfs/dbraw/zinc/19/56/76/208195676.db2.gz ATAUNTCOEDEMMW-UHFFFAOYSA-N 2 2 374.489 0.630 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000105279209 208197044 /nfs/dbraw/zinc/19/70/44/208197044.db2.gz RDRNCGHRDIKNQA-FGTMMUONSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000105279209 208197048 /nfs/dbraw/zinc/19/70/48/208197048.db2.gz RDRNCGHRDIKNQA-FGTMMUONSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105279209 208197055 /nfs/dbraw/zinc/19/70/55/208197055.db2.gz RDRNCGHRDIKNQA-FGTMMUONSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105279209 208197059 /nfs/dbraw/zinc/19/70/59/208197059.db2.gz RDRNCGHRDIKNQA-FGTMMUONSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000105279327 208198430 /nfs/dbraw/zinc/19/84/30/208198430.db2.gz URORZYBZBCVXJE-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000105279327 208198436 /nfs/dbraw/zinc/19/84/36/208198436.db2.gz URORZYBZBCVXJE-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000105279327 208198444 /nfs/dbraw/zinc/19/84/44/208198444.db2.gz URORZYBZBCVXJE-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000105279327 208198452 /nfs/dbraw/zinc/19/84/52/208198452.db2.gz URORZYBZBCVXJE-VVLHAWIVSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)[C@H](C)[NH+]1CCOCC1 ZINC000105739476 208203304 /nfs/dbraw/zinc/20/33/04/208203304.db2.gz SYMTXQWZJBBAKH-KGLIPLIRSA-N 2 2 360.458 0.796 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)[C@H](C)[NH+]1CCOCC1 ZINC000105739476 208203308 /nfs/dbraw/zinc/20/33/08/208203308.db2.gz SYMTXQWZJBBAKH-KGLIPLIRSA-N 2 2 360.458 0.796 20 0 FCADLP CN(C(=O)[C@H]1CCCOC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041204 208205909 /nfs/dbraw/zinc/20/59/09/208205909.db2.gz MNMLOQDVSRPKAV-INIZCTEOSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2)CC1 ZINC000106403604 208224471 /nfs/dbraw/zinc/22/44/71/208224471.db2.gz GOVBAJYOPSLTBP-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2)CC1 ZINC000106403604 208224475 /nfs/dbraw/zinc/22/44/75/208224475.db2.gz GOVBAJYOPSLTBP-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C2)CC1 ZINC000106514611 208225686 /nfs/dbraw/zinc/22/56/86/208225686.db2.gz LCYKJSUHZTTXGJ-QGZVFWFLSA-N 2 2 353.511 0.130 20 0 FCADLP C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796604 208264029 /nfs/dbraw/zinc/26/40/29/208264029.db2.gz WKUVWOFMOVAPHO-ZFWWWQNUSA-N 2 2 354.476 0.554 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112507898 208296992 /nfs/dbraw/zinc/29/69/92/208296992.db2.gz WPUSTYPDWJIXPM-HZPDHXFCSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112507898 208297000 /nfs/dbraw/zinc/29/70/00/208297000.db2.gz WPUSTYPDWJIXPM-HZPDHXFCSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112507898 208297007 /nfs/dbraw/zinc/29/70/07/208297007.db2.gz WPUSTYPDWJIXPM-HZPDHXFCSA-N 2 2 374.489 0.492 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112507898 208297014 /nfs/dbraw/zinc/29/70/14/208297014.db2.gz WPUSTYPDWJIXPM-HZPDHXFCSA-N 2 2 374.489 0.492 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccs1 ZINC000117259635 208343861 /nfs/dbraw/zinc/34/38/61/208343861.db2.gz IUEKTEMVFQYQLA-UHFFFAOYSA-N 2 2 352.504 0.962 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccs1 ZINC000117259635 208343866 /nfs/dbraw/zinc/34/38/66/208343866.db2.gz IUEKTEMVFQYQLA-UHFFFAOYSA-N 2 2 352.504 0.962 20 0 FCADLP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000118095566 208348261 /nfs/dbraw/zinc/34/82/61/208348261.db2.gz AYPSNCDDOUAWNK-UHFFFAOYSA-N 2 2 362.474 0.915 20 0 FCADLP C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841705 208352737 /nfs/dbraw/zinc/35/27/37/208352737.db2.gz QYMDGHZWCFSGEN-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841705 208352740 /nfs/dbraw/zinc/35/27/40/208352740.db2.gz QYMDGHZWCFSGEN-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841705 208352743 /nfs/dbraw/zinc/35/27/43/208352743.db2.gz QYMDGHZWCFSGEN-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841705 208352744 /nfs/dbraw/zinc/35/27/44/208352744.db2.gz QYMDGHZWCFSGEN-CYBMUJFWSA-N 2 2 354.476 0.546 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120192671 208376932 /nfs/dbraw/zinc/37/69/32/208376932.db2.gz HXYVDTHIDJWMOY-PKOBYXMFSA-N 2 2 364.490 0.499 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120192671 208376939 /nfs/dbraw/zinc/37/69/39/208376939.db2.gz HXYVDTHIDJWMOY-PKOBYXMFSA-N 2 2 364.490 0.499 20 0 FCADLP CN(CC[N@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC[NH+](C)CC1 ZINC000120248576 208375863 /nfs/dbraw/zinc/37/58/63/208375863.db2.gz HNWYQPZRTJNGKX-KRWDZBQOSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC[NH+](C)CC1 ZINC000120248576 208375869 /nfs/dbraw/zinc/37/58/69/208375869.db2.gz HNWYQPZRTJNGKX-KRWDZBQOSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120248576 208375876 /nfs/dbraw/zinc/37/58/76/208375876.db2.gz HNWYQPZRTJNGKX-KRWDZBQOSA-N 2 2 362.522 0.873 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120248576 208375881 /nfs/dbraw/zinc/37/58/81/208375881.db2.gz HNWYQPZRTJNGKX-KRWDZBQOSA-N 2 2 362.522 0.873 20 0 FCADLP Cc1ccc(NC(=O)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000121258909 208398126 /nfs/dbraw/zinc/39/81/26/208398126.db2.gz KOFWOTDJTKSDMP-UHFFFAOYSA-N 2 2 359.474 0.815 20 0 FCADLP COC(=O)Cn1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000266373325 210328258 /nfs/dbraw/zinc/32/82/58/210328258.db2.gz FKSLHSBMRVUJGN-UHFFFAOYSA-N 2 2 366.466 0.546 20 0 FCADLP COC(=O)Cn1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000266373325 210328261 /nfs/dbraw/zinc/32/82/61/210328261.db2.gz FKSLHSBMRVUJGN-UHFFFAOYSA-N 2 2 366.466 0.546 20 0 FCADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)NCc1ccco1 ZINC000134309320 208685455 /nfs/dbraw/zinc/68/54/55/208685455.db2.gz FROZWKSXGBWICB-AWEZNQCLSA-N 2 2 358.446 0.616 20 0 FCADLP COc1ccc([C@H](CNC(=O)CN2CC[NH2+]CC2=O)[NH+]2CCCC2)cc1 ZINC000163501628 533181257 /nfs/dbraw/zinc/18/12/57/533181257.db2.gz JTTPYEXPOWWTFJ-KRWDZBQOSA-N 2 2 360.458 0.380 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(CS(C)(=O)=O)CC3)CC2)CC1 ZINC000176690290 209008420 /nfs/dbraw/zinc/00/84/20/209008420.db2.gz AADBIHAZJRUMLJ-UHFFFAOYSA-N 2 2 371.547 0.876 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000177121207 209016720 /nfs/dbraw/zinc/01/67/20/209016720.db2.gz KJGCJEKIWPFXBX-OLZOCXBDSA-N 2 2 364.412 0.586 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178199562 209047017 /nfs/dbraw/zinc/04/70/17/209047017.db2.gz FGHYOCRFLCQZMC-CQSZACIVSA-N 2 2 362.478 0.247 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178199562 209047021 /nfs/dbraw/zinc/04/70/21/209047021.db2.gz FGHYOCRFLCQZMC-CQSZACIVSA-N 2 2 362.478 0.247 20 0 FCADLP Cc1c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)nnn1C1CC[NH2+]CC1 ZINC000178743864 209060137 /nfs/dbraw/zinc/06/01/37/209060137.db2.gz QZJVAVJSMCXRRE-UHFFFAOYSA-N 2 2 350.467 0.352 20 0 FCADLP Cc1c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)nnn1C1CC[NH2+]CC1 ZINC000178743864 209060140 /nfs/dbraw/zinc/06/01/40/209060140.db2.gz QZJVAVJSMCXRRE-UHFFFAOYSA-N 2 2 350.467 0.352 20 0 FCADLP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1COCC[NH2+]1 ZINC000178876559 209064013 /nfs/dbraw/zinc/06/40/13/209064013.db2.gz WGLBCZZYOPMDBQ-IBGZPJMESA-N 2 2 360.502 0.689 20 0 FCADLP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1COCC[NH2+]1 ZINC000178876559 209064015 /nfs/dbraw/zinc/06/40/15/209064015.db2.gz WGLBCZZYOPMDBQ-IBGZPJMESA-N 2 2 360.502 0.689 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+](C)C1 ZINC000413397471 533481477 /nfs/dbraw/zinc/48/14/77/533481477.db2.gz FHVHEJILKQGLKR-GJZGRUSLSA-N 2 2 361.446 0.407 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+](C)C1 ZINC000413397471 533481479 /nfs/dbraw/zinc/48/14/79/533481479.db2.gz FHVHEJILKQGLKR-GJZGRUSLSA-N 2 2 361.446 0.407 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000413797556 533517993 /nfs/dbraw/zinc/51/79/93/533517993.db2.gz XZOCQMQIGYDRPK-KFWWJZLASA-N 2 2 352.479 0.748 20 0 FCADLP COC(=O)[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000413797556 533517997 /nfs/dbraw/zinc/51/79/97/533517997.db2.gz XZOCQMQIGYDRPK-KFWWJZLASA-N 2 2 352.479 0.748 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(Cn3ccnn3)CC2)CC1 ZINC000179281663 209075670 /nfs/dbraw/zinc/07/56/70/209075670.db2.gz HGLDMEFGSPKIRS-UHFFFAOYSA-N 2 2 363.510 0.726 20 0 FCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000179398462 209077522 /nfs/dbraw/zinc/07/75/22/209077522.db2.gz WHQORVYWEYTHCL-VQTJNVASSA-N 2 2 374.529 0.890 20 0 FCADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc[nH+]1 ZINC000192331283 229264968 /nfs/dbraw/zinc/26/49/68/229264968.db2.gz ZPJVHEGRAPCXPX-IRXDYDNUSA-N 2 2 361.490 0.986 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000410474418 230093823 /nfs/dbraw/zinc/09/38/23/230093823.db2.gz XIUPRDGOMKKTIM-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000410474418 230093827 /nfs/dbraw/zinc/09/38/27/230093827.db2.gz XIUPRDGOMKKTIM-RBUKOAKNSA-N 2 2 372.513 0.924 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410478223 230094517 /nfs/dbraw/zinc/09/45/17/230094517.db2.gz YQDYBWYFXKORQR-IRXDYDNUSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000410478223 230094519 /nfs/dbraw/zinc/09/45/19/230094519.db2.gz YQDYBWYFXKORQR-IRXDYDNUSA-N 2 2 373.501 0.839 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000410476444 230095542 /nfs/dbraw/zinc/09/55/42/230095542.db2.gz PMZLGRFTPIAWKS-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000410476444 230095545 /nfs/dbraw/zinc/09/55/45/230095545.db2.gz PMZLGRFTPIAWKS-OAHLLOKOSA-N 2 2 364.515 0.945 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000410521928 230118689 /nfs/dbraw/zinc/11/86/89/230118689.db2.gz CRKGLTJRMWHYEF-JKSUJKDBSA-N 2 2 359.474 0.508 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000410521928 230118691 /nfs/dbraw/zinc/11/86/91/230118691.db2.gz CRKGLTJRMWHYEF-JKSUJKDBSA-N 2 2 359.474 0.508 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000410541171 230128870 /nfs/dbraw/zinc/12/88/70/230128870.db2.gz HAGRUQVNQFPQDT-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000410541171 230128872 /nfs/dbraw/zinc/12/88/72/230128872.db2.gz HAGRUQVNQFPQDT-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000410541171 230128874 /nfs/dbraw/zinc/12/88/74/230128874.db2.gz HAGRUQVNQFPQDT-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410541171 230128876 /nfs/dbraw/zinc/12/88/76/230128876.db2.gz HAGRUQVNQFPQDT-YTQUADARSA-N 2 2 370.497 0.882 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000410732810 230224184 /nfs/dbraw/zinc/22/41/84/230224184.db2.gz SVLAHUYFGSBFDB-GOSISDBHSA-N 2 2 373.501 0.837 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000410732810 230224188 /nfs/dbraw/zinc/22/41/88/230224188.db2.gz SVLAHUYFGSBFDB-GOSISDBHSA-N 2 2 373.501 0.837 20 0 FCADLP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932623544 674204649 /nfs/dbraw/zinc/20/46/49/674204649.db2.gz ZYRKFYXXZKEXLT-UKRRQHHQSA-N 2 2 370.519 0.803 20 0 FCADLP CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932623544 674204651 /nfs/dbraw/zinc/20/46/51/674204651.db2.gz ZYRKFYXXZKEXLT-UKRRQHHQSA-N 2 2 370.519 0.803 20 0 FCADLP Cc1cccc(NCCNC(=O)C(=O)NCC[NH+]2CCSCC2)[nH+]1 ZINC000932810812 674220820 /nfs/dbraw/zinc/22/08/20/674220820.db2.gz VYMHJECHFCTCNA-UHFFFAOYSA-N 2 2 351.476 0.083 20 0 FCADLP COC(=O)C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000934027632 674283893 /nfs/dbraw/zinc/28/38/93/674283893.db2.gz UIZAWJDPMFNYLT-AWEZNQCLSA-N 2 2 357.495 0.781 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000363649469 488868755 /nfs/dbraw/zinc/86/87/55/488868755.db2.gz ZRFMUBYAXMOZSI-CRAIPNDOSA-N 2 2 368.547 0.925 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000363649469 488868756 /nfs/dbraw/zinc/86/87/56/488868756.db2.gz ZRFMUBYAXMOZSI-CRAIPNDOSA-N 2 2 368.547 0.925 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000631183624 484095358 /nfs/dbraw/zinc/09/53/58/484095358.db2.gz KWAFBYAQJUKQGT-UHFFFAOYSA-N 2 2 361.450 0.226 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301550508 488881691 /nfs/dbraw/zinc/88/16/91/488881691.db2.gz FWAGIUFNWIQOLQ-MRXNPFEDSA-N 2 2 368.441 0.945 20 0 FCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000302051593 488886746 /nfs/dbraw/zinc/88/67/46/488886746.db2.gz XRFWQWZMAIGHLV-UHFFFAOYSA-N 2 2 353.426 0.619 20 0 FCADLP OC[C@H]1CCCCN1c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000302091459 488887785 /nfs/dbraw/zinc/88/77/85/488887785.db2.gz HAGJKSKOLRJLDO-IAGOWNOFSA-N 2 2 361.490 0.986 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000302579983 488890791 /nfs/dbraw/zinc/89/07/91/488890791.db2.gz SEMAFVFTTSQDNV-HNNXBMFYSA-N 2 2 362.478 0.260 20 0 FCADLP CC1CC[NH+](C[C@@H](O)CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000302579983 488890794 /nfs/dbraw/zinc/89/07/94/488890794.db2.gz SEMAFVFTTSQDNV-HNNXBMFYSA-N 2 2 362.478 0.260 20 0 FCADLP O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000278717514 488891563 /nfs/dbraw/zinc/89/15/63/488891563.db2.gz KMOYTTFUVWRPJL-HZPDHXFCSA-N 2 2 351.472 0.211 20 0 FCADLP COCC[N@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000363847421 488891644 /nfs/dbraw/zinc/89/16/44/488891644.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000363847421 488891646 /nfs/dbraw/zinc/89/16/46/488891646.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363847421 488891649 /nfs/dbraw/zinc/89/16/49/488891649.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 3 2 355.527 0.375 20 0 FCADLP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363847421 488891652 /nfs/dbraw/zinc/89/16/52/488891652.db2.gz WNLKYGBQMBPAEN-KRWDZBQOSA-N 3 2 355.527 0.375 20 0 FCADLP COc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363914988 488899998 /nfs/dbraw/zinc/89/99/98/488899998.db2.gz YXKTWMJPLXTPPL-CQSZACIVSA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363914988 488900000 /nfs/dbraw/zinc/90/00/00/488900000.db2.gz YXKTWMJPLXTPPL-CQSZACIVSA-N 2 2 360.458 0.918 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000363897534 488898005 /nfs/dbraw/zinc/89/80/05/488898005.db2.gz HCJBJSCIGNNDJI-CYBMUJFWSA-N 2 2 361.446 0.319 20 0 FCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000363897534 488898007 /nfs/dbraw/zinc/89/80/07/488898007.db2.gz HCJBJSCIGNNDJI-CYBMUJFWSA-N 2 2 361.446 0.319 20 0 FCADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278922299 488904880 /nfs/dbraw/zinc/90/48/80/488904880.db2.gz DGKBLFROHPSFSH-ZDUSSCGKSA-N 2 2 359.434 0.268 20 0 FCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279042026 488912961 /nfs/dbraw/zinc/91/29/61/488912961.db2.gz QTOATTFPCSOLSW-ZDUSSCGKSA-N 2 2 356.430 0.648 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279104943 488917209 /nfs/dbraw/zinc/91/72/09/488917209.db2.gz XQKZEZXADGWBDL-OAHLLOKOSA-N 2 2 371.489 0.795 20 0 FCADLP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000287937822 488923613 /nfs/dbraw/zinc/92/36/13/488923613.db2.gz ATCCPZGWQNKGPK-UHFFFAOYSA-N 2 2 373.501 0.968 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000287980196 488928648 /nfs/dbraw/zinc/92/86/48/488928648.db2.gz VPBDHUTWYXFMOH-RHSMWYFYSA-N 2 2 360.462 0.620 20 0 FCADLP CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000364206521 488935401 /nfs/dbraw/zinc/93/54/01/488935401.db2.gz KGKGKXTTXTYJIN-LBPRGKRZSA-N 2 2 370.475 0.086 20 0 FCADLP CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000364206521 488935402 /nfs/dbraw/zinc/93/54/02/488935402.db2.gz KGKGKXTTXTYJIN-LBPRGKRZSA-N 2 2 370.475 0.086 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283026 488943239 /nfs/dbraw/zinc/94/32/39/488943239.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 3 2 367.538 0.517 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283026 488943243 /nfs/dbraw/zinc/94/32/43/488943243.db2.gz YPADBAKFAOTBTI-AEFFLSMTSA-N 3 2 367.538 0.517 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C[C@H]21 ZINC000562803369 491190687 /nfs/dbraw/zinc/19/06/87/491190687.db2.gz UKOKVXCTCPKVPI-YFHUEUNASA-N 2 2 368.547 0.963 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H]1C ZINC000328934362 488953161 /nfs/dbraw/zinc/95/31/61/488953161.db2.gz CELQQZYUPMLGRL-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@@H]1C ZINC000328934362 488953164 /nfs/dbraw/zinc/95/31/64/488953164.db2.gz CELQQZYUPMLGRL-YESZJQIVSA-N 2 2 366.506 0.108 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000288185353 488954098 /nfs/dbraw/zinc/95/40/98/488954098.db2.gz RLZQQAHGBJPMID-GOSISDBHSA-N 2 2 374.485 0.034 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000288185353 488954101 /nfs/dbraw/zinc/95/41/01/488954101.db2.gz RLZQQAHGBJPMID-GOSISDBHSA-N 2 2 374.485 0.034 20 0 FCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC000328966073 488955875 /nfs/dbraw/zinc/95/58/75/488955875.db2.gz MRQLORNLAJPWHN-IAGOWNOFSA-N 2 2 359.474 0.135 20 0 FCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)[C@@H]2C1 ZINC000328966073 488955877 /nfs/dbraw/zinc/95/58/77/488955877.db2.gz MRQLORNLAJPWHN-IAGOWNOFSA-N 2 2 359.474 0.135 20 0 FCADLP CCc1[nH+]c2ccccc2n1CC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000025231123 487661967 /nfs/dbraw/zinc/66/19/67/487661967.db2.gz UEQVKPQJXSLYIH-UHFFFAOYSA-N 2 2 357.458 0.925 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000025508627 487667495 /nfs/dbraw/zinc/66/74/95/487667495.db2.gz KITHECKOJULVQX-HUUCEWRRSA-N 2 2 371.489 0.990 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000028423102 487710542 /nfs/dbraw/zinc/71/05/42/487710542.db2.gz UVMOCIOOBPDKLP-UHFFFAOYSA-N 2 2 358.446 0.386 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041487792 487829660 /nfs/dbraw/zinc/82/96/60/487829660.db2.gz BTSQFFBNDJQDKH-ZBFHGGJFSA-N 2 2 353.492 0.779 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000048871513 488083819 /nfs/dbraw/zinc/08/38/19/488083819.db2.gz QQLRJNGROZFUJI-HNNXBMFYSA-N 2 2 357.462 0.918 20 0 FCADLP O=S(=O)(CC[NH2+]Cc1ccccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048783884 488083839 /nfs/dbraw/zinc/08/38/39/488083839.db2.gz XOFXSDPNRGZQCY-UHFFFAOYSA-N 2 2 361.471 0.718 20 0 FCADLP C[C@H](Sc1nncn1C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797711 488114640 /nfs/dbraw/zinc/11/46/40/488114640.db2.gz WPHPSYDIGVZVDX-ZDUSSCGKSA-N 2 2 366.535 0.971 20 0 FCADLP CC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000050990749 488119812 /nfs/dbraw/zinc/11/98/12/488119812.db2.gz KQLHIHRWAYHTJQ-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](O)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000051204643 488128207 /nfs/dbraw/zinc/12/82/07/488128207.db2.gz QJCRTAPCODSGMV-SFHVURJKSA-N 2 2 359.470 0.722 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](O)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000051204643 488128213 /nfs/dbraw/zinc/12/82/13/488128213.db2.gz QJCRTAPCODSGMV-SFHVURJKSA-N 2 2 359.470 0.722 20 0 FCADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762689 488145084 /nfs/dbraw/zinc/14/50/84/488145084.db2.gz IAAGYVCCOYCBBH-HNNXBMFYSA-N 2 2 364.465 0.878 20 0 FCADLP O=C(C[N@H+]1CCCC[C@@H]1CO)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052871459 488185321 /nfs/dbraw/zinc/18/53/21/488185321.db2.gz MIHXLHDLDPNLBQ-QGZVFWFLSA-N 2 2 353.507 0.985 20 0 FCADLP O=C(C[N@@H+]1CCCC[C@@H]1CO)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052871459 488185337 /nfs/dbraw/zinc/18/53/37/488185337.db2.gz MIHXLHDLDPNLBQ-QGZVFWFLSA-N 2 2 353.507 0.985 20 0 FCADLP CC(C)(CNC(=O)CN1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000066665001 488334425 /nfs/dbraw/zinc/33/44/25/488334425.db2.gz YYWSWOSEPIBLSJ-KRWDZBQOSA-N 2 2 352.523 0.774 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000066563461 488331103 /nfs/dbraw/zinc/33/11/03/488331103.db2.gz UDPWKASWEANYAB-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000066563461 488331105 /nfs/dbraw/zinc/33/11/05/488331105.db2.gz UDPWKASWEANYAB-GOSISDBHSA-N 2 2 358.486 0.979 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)CC1 ZINC000066568426 488331862 /nfs/dbraw/zinc/33/18/62/488331862.db2.gz UKIJASMIMYXSQY-CQSZACIVSA-N 2 2 367.494 0.097 20 0 FCADLP CC1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000069142081 488371260 /nfs/dbraw/zinc/37/12/60/488371260.db2.gz GFMNRHKDEFBQCT-QGZVFWFLSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859164 488374086 /nfs/dbraw/zinc/37/40/86/488374086.db2.gz RDSUJJHUFZQPNQ-BBWFWOEESA-N 2 2 366.506 0.143 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859164 488374087 /nfs/dbraw/zinc/37/40/87/488374087.db2.gz RDSUJJHUFZQPNQ-BBWFWOEESA-N 2 2 366.506 0.143 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000072831346 488383008 /nfs/dbraw/zinc/38/30/08/488383008.db2.gz VSHSYKKVELLNIF-HXUWFJFHSA-N 2 2 371.485 0.722 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000072831346 488383009 /nfs/dbraw/zinc/38/30/09/488383009.db2.gz VSHSYKKVELLNIF-HXUWFJFHSA-N 2 2 371.485 0.722 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000073603953 488385294 /nfs/dbraw/zinc/38/52/94/488385294.db2.gz KOLFVRVYNXAMSG-HOTGVXAUSA-N 2 2 374.551 0.479 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000073603953 488385295 /nfs/dbraw/zinc/38/52/95/488385295.db2.gz KOLFVRVYNXAMSG-HOTGVXAUSA-N 2 2 374.551 0.479 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000073659711 488385808 /nfs/dbraw/zinc/38/58/08/488385808.db2.gz KTQJELLXNYDHRT-UHFFFAOYSA-N 2 2 367.538 0.914 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000074216818 488388996 /nfs/dbraw/zinc/38/89/96/488388996.db2.gz VOESHVBXEMXXCU-GJZGRUSLSA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000074216818 488388998 /nfs/dbraw/zinc/38/89/98/488388998.db2.gz VOESHVBXEMXXCU-GJZGRUSLSA-N 2 2 362.540 0.477 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1=O ZINC000074228568 488389226 /nfs/dbraw/zinc/38/92/26/488389226.db2.gz BMMYXBYPAYPSRZ-QGZVFWFLSA-N 2 2 374.485 0.867 20 0 FCADLP C[C@@H](CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182667575 488389467 /nfs/dbraw/zinc/38/94/67/488389467.db2.gz FUEXYZVBIJQVDQ-IRXDYDNUSA-N 2 2 356.511 0.585 20 0 FCADLP C[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C(=O)N(C)C ZINC000182979502 488391030 /nfs/dbraw/zinc/39/10/30/488391030.db2.gz PYBLHOAYWSZNJE-MRXNPFEDSA-N 2 2 368.522 0.404 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000184788466 488397358 /nfs/dbraw/zinc/39/73/58/488397358.db2.gz UVKOCCUVWLAOFE-ROUUACIJSA-N 2 2 370.538 0.831 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000184788433 488397891 /nfs/dbraw/zinc/39/78/91/488397891.db2.gz UVKOCCUVWLAOFE-MSOLQXFVSA-N 2 2 370.538 0.831 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000184824876 488398332 /nfs/dbraw/zinc/39/83/32/488398332.db2.gz ABSVHKHDKIQHSP-GJZGRUSLSA-N 2 2 357.462 0.866 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3nc(C)ns3)CC2)CC1 ZINC000075967854 488400465 /nfs/dbraw/zinc/40/04/65/488400465.db2.gz QQHQVTWSPKMMFI-AWEZNQCLSA-N 2 2 366.535 0.911 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3nc(C)ns3)CC2)CC1 ZINC000075967854 488400467 /nfs/dbraw/zinc/40/04/67/488400467.db2.gz QQHQVTWSPKMMFI-AWEZNQCLSA-N 2 2 366.535 0.911 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000186133372 488404680 /nfs/dbraw/zinc/40/46/80/488404680.db2.gz NYBYNKNCDCJJKS-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000186133372 488404682 /nfs/dbraw/zinc/40/46/82/488404682.db2.gz NYBYNKNCDCJJKS-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000186133372 488404686 /nfs/dbraw/zinc/40/46/86/488404686.db2.gz NYBYNKNCDCJJKS-ROUUACIJSA-N 2 2 369.554 0.668 20 0 FCADLP COC(=O)c1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1C ZINC000268330352 488409004 /nfs/dbraw/zinc/40/90/04/488409004.db2.gz HKGCQEVSUOKOSG-UHFFFAOYSA-N 2 2 351.451 0.959 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078505052 488422820 /nfs/dbraw/zinc/42/28/20/488422820.db2.gz BDKWPVOMCPONSF-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078505052 488422821 /nfs/dbraw/zinc/42/28/21/488422821.db2.gz BDKWPVOMCPONSF-MRXNPFEDSA-N 2 2 356.511 0.753 20 0 FCADLP COC1CC[NH+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000078655783 488424425 /nfs/dbraw/zinc/42/44/25/488424425.db2.gz WOPFBSNUIOBSAJ-UHFFFAOYSA-N 2 2 373.461 0.123 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000268505805 488425604 /nfs/dbraw/zinc/42/56/04/488425604.db2.gz BKYXHKKOALUHJW-UHFFFAOYSA-N 2 2 358.446 0.686 20 0 FCADLP Cc1ccc(NCCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)[nH+]c1 ZINC000193419252 488427278 /nfs/dbraw/zinc/42/72/78/488427278.db2.gz WJAAJRDLTLLCEO-UHFFFAOYSA-N 2 2 362.478 0.655 20 0 FCADLP C[NH+](C)C1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000079199253 488428537 /nfs/dbraw/zinc/42/85/37/488428537.db2.gz WJNVDELVRMXJQE-UHFFFAOYSA-N 2 2 365.522 0.810 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000079193024 488428566 /nfs/dbraw/zinc/42/85/66/488428566.db2.gz APQBJPDXXKDVQQ-AWEZNQCLSA-N 2 2 351.451 0.346 20 0 FCADLP O=C(NCCNc1cccc[nH+]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000079885623 488432602 /nfs/dbraw/zinc/43/26/02/488432602.db2.gz YJFFMLQGQBDRLW-UHFFFAOYSA-N 2 2 370.461 0.405 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000195227454 488436729 /nfs/dbraw/zinc/43/67/29/488436729.db2.gz MTABSVKYAQNOKL-FUHWJXTLSA-N 2 2 373.501 0.967 20 0 FCADLP CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000195227454 488436732 /nfs/dbraw/zinc/43/67/32/488436732.db2.gz MTABSVKYAQNOKL-FUHWJXTLSA-N 2 2 373.501 0.967 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000083700765 488447723 /nfs/dbraw/zinc/44/77/23/488447723.db2.gz LEGPPPQIEXOFSI-JKSUJKDBSA-N 2 2 370.519 0.685 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083701550 488448070 /nfs/dbraw/zinc/44/80/70/488448070.db2.gz GRDFZBOHAOKUIF-UHFFFAOYSA-N 2 2 365.526 0.703 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083701550 488448073 /nfs/dbraw/zinc/44/80/73/488448073.db2.gz GRDFZBOHAOKUIF-UHFFFAOYSA-N 2 2 365.526 0.703 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000083694057 488448132 /nfs/dbraw/zinc/44/81/32/488448132.db2.gz MJBNSGRCACWGQJ-INIZCTEOSA-N 2 2 356.511 0.585 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000083700762 488448204 /nfs/dbraw/zinc/44/82/04/488448204.db2.gz LEGPPPQIEXOFSI-HOTGVXAUSA-N 2 2 370.519 0.685 20 0 FCADLP CC1CC[NH+](CCCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000083701421 488448234 /nfs/dbraw/zinc/44/82/34/488448234.db2.gz CCNZEFNKIWMRAX-SFHVURJKSA-N 2 2 370.538 0.833 20 0 FCADLP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)C[NH+]1CCN(C)CC1 ZINC000083735083 488448886 /nfs/dbraw/zinc/44/88/86/488448886.db2.gz ZHJBUGSAGYCOON-AWEZNQCLSA-N 2 2 351.499 0.169 20 0 FCADLP C[C@@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)CN1CC[NH+](C)CC1 ZINC000083735083 488448888 /nfs/dbraw/zinc/44/88/88/488448888.db2.gz ZHJBUGSAGYCOON-AWEZNQCLSA-N 2 2 351.499 0.169 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C ZINC000083737657 488449231 /nfs/dbraw/zinc/44/92/31/488449231.db2.gz LZUQSJPPABSMGC-AWEZNQCLSA-N 2 2 350.467 0.350 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000085366370 488451737 /nfs/dbraw/zinc/45/17/37/488451737.db2.gz VFILHTHXRCAQHL-LSDHHAIUSA-N 2 2 367.538 0.957 20 0 FCADLP CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237000786 488453909 /nfs/dbraw/zinc/45/39/09/488453909.db2.gz BDGGLTAQAJTVQR-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237000786 488453910 /nfs/dbraw/zinc/45/39/10/488453910.db2.gz BDGGLTAQAJTVQR-ROUUACIJSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000087136791 488454129 /nfs/dbraw/zinc/45/41/29/488454129.db2.gz GRWMZROFKHCUMH-IAGOWNOFSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000087136791 488454131 /nfs/dbraw/zinc/45/41/31/488454131.db2.gz GRWMZROFKHCUMH-IAGOWNOFSA-N 2 2 365.522 0.666 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237490699 488455743 /nfs/dbraw/zinc/45/57/43/488455743.db2.gz KJPDWMFNTVNODB-FUHWJXTLSA-N 2 2 374.485 0.468 20 0 FCADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CN2CC[NH2+]CC2=O)C[C@H](C)O1 ZINC000237624938 488456314 /nfs/dbraw/zinc/45/63/14/488456314.db2.gz QEBSHQHTSQOINZ-GJZGRUSLSA-N 2 2 360.458 0.666 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000238108827 488458561 /nfs/dbraw/zinc/45/85/61/488458561.db2.gz NQLLCWNMFOCZJZ-CQSZACIVSA-N 2 2 350.488 0.508 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000238108827 488458563 /nfs/dbraw/zinc/45/85/63/488458563.db2.gz NQLLCWNMFOCZJZ-CQSZACIVSA-N 2 2 350.488 0.508 20 0 FCADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000089926673 488459053 /nfs/dbraw/zinc/45/90/53/488459053.db2.gz RZWRSTJBJYYEFJ-AWEZNQCLSA-N 2 2 363.462 0.342 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246108767 488469437 /nfs/dbraw/zinc/46/94/37/488469437.db2.gz JKHKQFSROVCOER-IAGOWNOFSA-N 2 2 356.511 0.441 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246108767 488469438 /nfs/dbraw/zinc/46/94/38/488469438.db2.gz JKHKQFSROVCOER-IAGOWNOFSA-N 2 2 356.511 0.441 20 0 FCADLP Cc1ccc(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000091811758 488470211 /nfs/dbraw/zinc/47/02/11/488470211.db2.gz CWASOKHPBHKYLI-UHFFFAOYSA-N 2 2 366.531 0.913 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246441991 488472897 /nfs/dbraw/zinc/47/28/97/488472897.db2.gz NWZUENUQUNHEHA-TWMKSMIVSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246441991 488472899 /nfs/dbraw/zinc/47/28/99/488472899.db2.gz NWZUENUQUNHEHA-TWMKSMIVSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246803826 488476289 /nfs/dbraw/zinc/47/62/89/488476289.db2.gz JETMVJGRZGBAOZ-BPQIPLTHSA-N 2 2 368.522 0.774 20 0 FCADLP Nc1nc(-n2cccn2)cc(NCC[NH+]2CCN(c3ncccn3)CC2)[nH+]1 ZINC000092891257 488477063 /nfs/dbraw/zinc/47/70/63/488477063.db2.gz GPUZJKQTNYYFIN-UHFFFAOYSA-N 2 2 366.433 0.269 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc(OC)c1 ZINC000269243065 488481946 /nfs/dbraw/zinc/48/19/46/488481946.db2.gz BYWWSAANUWYFPC-GOSISDBHSA-N 2 2 363.458 0.727 20 0 FCADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269269018 488484472 /nfs/dbraw/zinc/48/44/72/488484472.db2.gz QTVXRHXYBIQGPL-IRXDYDNUSA-N 2 2 361.490 0.477 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269292691 488488083 /nfs/dbraw/zinc/48/80/83/488488083.db2.gz VIKOZQGUNHVRNO-UHFFFAOYSA-N 2 2 363.462 0.805 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000247871590 488490954 /nfs/dbraw/zinc/49/09/54/488490954.db2.gz XQMWRWDUVGTBQX-RTBURBONSA-N 2 2 360.502 0.940 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)C1 ZINC000247871590 488490956 /nfs/dbraw/zinc/49/09/56/488490956.db2.gz XQMWRWDUVGTBQX-RTBURBONSA-N 2 2 360.502 0.940 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000248125973 488493721 /nfs/dbraw/zinc/49/37/21/488493721.db2.gz NYAGCYOEYVWWDK-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000248125973 488493722 /nfs/dbraw/zinc/49/37/22/488493722.db2.gz NYAGCYOEYVWWDK-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000248125973 488493724 /nfs/dbraw/zinc/49/37/24/488493724.db2.gz NYAGCYOEYVWWDK-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000248125973 488493725 /nfs/dbraw/zinc/49/37/25/488493725.db2.gz NYAGCYOEYVWWDK-JKSUJKDBSA-N 2 2 352.479 0.703 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000105105619 488507210 /nfs/dbraw/zinc/50/72/10/488507210.db2.gz ONYPOTPPHJHONV-KSZLIROESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000105105619 488507213 /nfs/dbraw/zinc/50/72/13/488507213.db2.gz ONYPOTPPHJHONV-KSZLIROESA-N 2 2 369.554 0.667 20 0 FCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000569929887 491203799 /nfs/dbraw/zinc/20/37/99/491203799.db2.gz WDRJFEYBHNQGIM-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000569929887 491203801 /nfs/dbraw/zinc/20/38/01/491203801.db2.gz WDRJFEYBHNQGIM-NVXWUHKLSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000249257962 488508648 /nfs/dbraw/zinc/50/86/48/488508648.db2.gz HOODRVLCNRXVOA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000249257962 488508651 /nfs/dbraw/zinc/50/86/51/488508651.db2.gz HOODRVLCNRXVOA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000249257962 488508653 /nfs/dbraw/zinc/50/86/53/488508653.db2.gz HOODRVLCNRXVOA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@H](CO)O[C@@H](C)C2)C[C@@H](CO)O1 ZINC000249257962 488508656 /nfs/dbraw/zinc/50/86/56/488508656.db2.gz HOODRVLCNRXVOA-OBMJPTGESA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@H](CO)O1 ZINC000249490693 488510617 /nfs/dbraw/zinc/51/06/17/488510617.db2.gz VGRXGFNHUNAUOI-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@H](CO)O1 ZINC000249490693 488510620 /nfs/dbraw/zinc/51/06/20/488510620.db2.gz VGRXGFNHUNAUOI-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@H](CO)O1 ZINC000249490693 488510623 /nfs/dbraw/zinc/51/06/23/488510623.db2.gz VGRXGFNHUNAUOI-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)c2)C[C@H](CO)O1 ZINC000249490693 488510626 /nfs/dbraw/zinc/51/06/26/488510626.db2.gz VGRXGFNHUNAUOI-WOUAJJJCSA-N 2 2 364.486 0.850 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1CCO ZINC000249517999 488511186 /nfs/dbraw/zinc/51/11/86/488511186.db2.gz SPBJNYHPRUWVTJ-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1CCO ZINC000249517999 488511188 /nfs/dbraw/zinc/51/11/88/488511188.db2.gz SPBJNYHPRUWVTJ-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000249517999 488511190 /nfs/dbraw/zinc/51/11/90/488511190.db2.gz SPBJNYHPRUWVTJ-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1CCO ZINC000249517999 488511191 /nfs/dbraw/zinc/51/11/91/488511191.db2.gz SPBJNYHPRUWVTJ-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C(N)=O)C1 ZINC000249562810 488512279 /nfs/dbraw/zinc/51/22/79/488512279.db2.gz MDKCPKMTHSCAFB-JKSUJKDBSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C(N)=O)C1 ZINC000249562810 488512280 /nfs/dbraw/zinc/51/22/80/488512280.db2.gz MDKCPKMTHSCAFB-JKSUJKDBSA-N 2 2 359.474 0.706 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000106583492 488515253 /nfs/dbraw/zinc/51/52/53/488515253.db2.gz DTPIGZXCPZHNLC-KRWDZBQOSA-N 3 2 368.570 0.290 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000106583492 488515254 /nfs/dbraw/zinc/51/52/54/488515254.db2.gz DTPIGZXCPZHNLC-KRWDZBQOSA-N 3 2 368.570 0.290 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435810 488516627 /nfs/dbraw/zinc/51/66/27/488516627.db2.gz BQRVYJUABDFAJA-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435810 488516628 /nfs/dbraw/zinc/51/66/28/488516628.db2.gz BQRVYJUABDFAJA-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435810 488516631 /nfs/dbraw/zinc/51/66/31/488516631.db2.gz BQRVYJUABDFAJA-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000251435810 488516633 /nfs/dbraw/zinc/51/66/33/488516633.db2.gz BQRVYJUABDFAJA-LNLFQRSKSA-N 2 2 361.486 0.801 20 0 FCADLP CCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000107329959 488517456 /nfs/dbraw/zinc/51/74/56/488517456.db2.gz XOICWTFHWWWRRO-HNNXBMFYSA-N 2 2 365.522 0.855 20 0 FCADLP CNC(=O)[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2C(=O)NC)COC1 ZINC000252734878 488519169 /nfs/dbraw/zinc/51/91/69/488519169.db2.gz FDEWPYHEJKKRIY-HOTGVXAUSA-N 2 2 366.506 0.204 20 0 FCADLP CNC(=O)[C@@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@H]2C(=O)NC)COC1 ZINC000252734878 488519171 /nfs/dbraw/zinc/51/91/71/488519171.db2.gz FDEWPYHEJKKRIY-HOTGVXAUSA-N 2 2 366.506 0.204 20 0 FCADLP CCNC(=O)N1CC[NH+](C/C=C\C[NH+]2CCN(C(=O)NCC)CC2)CC1 ZINC000255335271 488522525 /nfs/dbraw/zinc/52/25/25/488522525.db2.gz NDACGVLKCFCEGA-WAYWQWQTSA-N 2 2 366.510 0.237 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261615194 488527348 /nfs/dbraw/zinc/52/73/48/488527348.db2.gz CRDGTMRTRIWRNR-GUYCJALGSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261615194 488527349 /nfs/dbraw/zinc/52/73/49/488527349.db2.gz CRDGTMRTRIWRNR-GUYCJALGSA-N 2 2 368.503 0.935 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726688 488533387 /nfs/dbraw/zinc/53/33/87/488533387.db2.gz NYNVODQJUKNCCQ-SCLBCKFNSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726688 488533388 /nfs/dbraw/zinc/53/33/88/488533388.db2.gz NYNVODQJUKNCCQ-SCLBCKFNSA-N 2 2 350.438 0.790 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)CC1 ZINC000113504780 488538237 /nfs/dbraw/zinc/53/82/37/488538237.db2.gz BPNUKGXYYMOCJK-KRWDZBQOSA-N 2 2 362.474 0.961 20 0 FCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261901859 488541324 /nfs/dbraw/zinc/54/13/24/488541324.db2.gz WPVPKEGLUKNCSZ-GOSISDBHSA-N 3 2 352.523 0.808 20 0 FCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000261901859 488541325 /nfs/dbraw/zinc/54/13/25/488541325.db2.gz WPVPKEGLUKNCSZ-GOSISDBHSA-N 3 2 352.523 0.808 20 0 FCADLP O=C(CC[C@@H]1CC[NH2+]C1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261918091 488541839 /nfs/dbraw/zinc/54/18/39/488541839.db2.gz XGNKAAKJCYAODY-MRXNPFEDSA-N 2 2 359.474 0.626 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000261986111 488544471 /nfs/dbraw/zinc/54/44/71/488544471.db2.gz JXZHCIIXVZMUES-GOEBONIOSA-N 2 2 359.536 0.732 20 0 FCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000271848959 488549804 /nfs/dbraw/zinc/54/98/04/488549804.db2.gz VQAARSMFNDVTML-INIZCTEOSA-N 2 2 363.462 0.533 20 0 FCADLP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000118897680 488554963 /nfs/dbraw/zinc/55/49/63/488554963.db2.gz SQAYYBAEIILIDB-INIZCTEOSA-N 2 2 374.485 0.915 20 0 FCADLP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000118897680 488554964 /nfs/dbraw/zinc/55/49/64/488554964.db2.gz SQAYYBAEIILIDB-INIZCTEOSA-N 2 2 374.485 0.915 20 0 FCADLP C[C@@H]1CCC[C@](CNC(=O)N(CCO)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000119082063 488555400 /nfs/dbraw/zinc/55/54/00/488555400.db2.gz VTCJLYJGBCBIFW-MJGOQNOKSA-N 2 2 370.538 0.833 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000120252425 488560771 /nfs/dbraw/zinc/56/07/71/488560771.db2.gz XGGYONJBILVDAR-HOTGVXAUSA-N 2 2 374.489 0.547 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000120252425 488560773 /nfs/dbraw/zinc/56/07/73/488560773.db2.gz XGGYONJBILVDAR-HOTGVXAUSA-N 2 2 374.489 0.547 20 0 FCADLP Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262307292 488562798 /nfs/dbraw/zinc/56/27/98/488562798.db2.gz YLXLRJQXDLKZDG-KGLIPLIRSA-N 2 2 365.503 0.970 20 0 FCADLP Cc1csc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262307292 488562802 /nfs/dbraw/zinc/56/28/02/488562802.db2.gz YLXLRJQXDLKZDG-KGLIPLIRSA-N 2 2 365.503 0.970 20 0 FCADLP C[NH2+][C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000262475133 488572292 /nfs/dbraw/zinc/57/22/92/488572292.db2.gz YSGANBLIIPXBSD-KRWDZBQOSA-N 2 2 370.457 0.707 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936207 488573378 /nfs/dbraw/zinc/57/33/78/488573378.db2.gz PDNBMXBFRLTQJK-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C)CC1 ZINC000121936207 488573380 /nfs/dbraw/zinc/57/33/80/488573380.db2.gz PDNBMXBFRLTQJK-IEBWSBKVSA-N 2 2 360.502 0.640 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000262531188 488575752 /nfs/dbraw/zinc/57/57/52/488575752.db2.gz OZYRTILINJEKHO-QFBILLFUSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000262531188 488575753 /nfs/dbraw/zinc/57/57/53/488575753.db2.gz OZYRTILINJEKHO-QFBILLFUSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123618983 488586968 /nfs/dbraw/zinc/58/69/68/488586968.db2.gz STWJRNDDAXNAMX-GOEBONIOSA-N 2 2 359.536 0.732 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000124241428 488591054 /nfs/dbraw/zinc/59/10/54/488591054.db2.gz GUJWMVHQDSEADQ-UHFFFAOYSA-N 2 2 351.432 0.491 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000124241428 488591057 /nfs/dbraw/zinc/59/10/57/488591057.db2.gz GUJWMVHQDSEADQ-UHFFFAOYSA-N 2 2 351.432 0.491 20 0 FCADLP COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000124742713 488595460 /nfs/dbraw/zinc/59/54/60/488595460.db2.gz WGDSQGXWHDCBMX-OAHLLOKOSA-N 2 2 351.451 0.038 20 0 FCADLP COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000124742713 488595463 /nfs/dbraw/zinc/59/54/63/488595463.db2.gz WGDSQGXWHDCBMX-OAHLLOKOSA-N 2 2 351.451 0.038 20 0 FCADLP CC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000124955365 488597214 /nfs/dbraw/zinc/59/72/14/488597214.db2.gz RZKQTXGMQIDUFT-MRXNPFEDSA-N 2 2 368.503 0.901 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000125894028 488604835 /nfs/dbraw/zinc/60/48/35/488604835.db2.gz ULHQHCCIXIBRBW-UHFFFAOYSA-N 2 2 361.490 0.734 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000263256659 488608057 /nfs/dbraw/zinc/60/80/57/488608057.db2.gz LAMJNPNMXDWTDI-KRWDZBQOSA-N 2 2 354.458 0.285 20 0 FCADLP COCC[NH2+]CC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000263269303 488608290 /nfs/dbraw/zinc/60/82/90/488608290.db2.gz OOYSELIBXZLMEI-UHFFFAOYSA-N 2 2 364.446 0.257 20 0 FCADLP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000127874326 488620832 /nfs/dbraw/zinc/62/08/32/488620832.db2.gz NXNHOPPYFACLIT-QGZVFWFLSA-N 2 2 370.538 0.955 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000129381759 488630919 /nfs/dbraw/zinc/63/09/19/488630919.db2.gz HAYHFOFEHXALEI-GJZGRUSLSA-N 2 2 371.507 0.164 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000129381759 488630920 /nfs/dbraw/zinc/63/09/20/488630920.db2.gz HAYHFOFEHXALEI-GJZGRUSLSA-N 2 2 371.507 0.164 20 0 FCADLP CCS(=O)(=O)CC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000129526625 488631750 /nfs/dbraw/zinc/63/17/50/488631750.db2.gz MXEQXMFJVGWAOK-UHFFFAOYSA-N 2 2 368.503 0.487 20 0 FCADLP CCS(=O)(=O)CC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000129526625 488631754 /nfs/dbraw/zinc/63/17/54/488631754.db2.gz MXEQXMFJVGWAOK-UHFFFAOYSA-N 2 2 368.503 0.487 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000130417697 488637583 /nfs/dbraw/zinc/63/75/83/488637583.db2.gz IMSCSESMQMFCPZ-SJLPKXTDSA-N 2 2 360.506 0.627 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000264031930 488644193 /nfs/dbraw/zinc/64/41/93/488644193.db2.gz DXGZXCCSOGUYJY-UHFFFAOYSA-N 2 2 370.457 0.422 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1 ZINC000264125090 488649500 /nfs/dbraw/zinc/64/95/00/488649500.db2.gz NHTVJQZDUSIXNO-UHFFFAOYSA-N 2 2 351.451 0.798 20 0 FCADLP CN(C)c1nc(N2CC[NH+](CCn3nc4ccccn4c3=O)CC2)cc[nH+]1 ZINC000134085781 488664283 /nfs/dbraw/zinc/66/42/83/488664283.db2.gz WDUDGBZFHVYILW-UHFFFAOYSA-N 2 2 368.445 0.174 20 0 FCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000554656668 491216021 /nfs/dbraw/zinc/21/60/21/491216021.db2.gz GAISHANVYXVBMP-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000554656668 491216024 /nfs/dbraw/zinc/21/60/24/491216024.db2.gz GAISHANVYXVBMP-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000554656668 491216028 /nfs/dbraw/zinc/21/60/28/491216028.db2.gz GAISHANVYXVBMP-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CCC[NH+](CC)CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000554656668 491216030 /nfs/dbraw/zinc/21/60/30/491216030.db2.gz GAISHANVYXVBMP-IYBDPMFKSA-N 2 2 356.511 0.402 20 0 FCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000134314703 488665991 /nfs/dbraw/zinc/66/59/91/488665991.db2.gz KNPQSFVWSXSSGQ-INIZCTEOSA-N 2 2 372.535 0.132 20 0 FCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000134314703 488665992 /nfs/dbraw/zinc/66/59/92/488665992.db2.gz KNPQSFVWSXSSGQ-INIZCTEOSA-N 2 2 372.535 0.132 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135749528 488675091 /nfs/dbraw/zinc/67/50/91/488675091.db2.gz UAWIQQUWLULXSO-MRXNPFEDSA-N 2 2 372.535 0.087 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000135749528 488675092 /nfs/dbraw/zinc/67/50/92/488675092.db2.gz UAWIQQUWLULXSO-MRXNPFEDSA-N 2 2 372.535 0.087 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264479623 488677727 /nfs/dbraw/zinc/67/77/27/488677727.db2.gz ZUKYYZFCXZWEJI-ICSRJNTNSA-N 2 2 373.545 0.727 20 0 FCADLP C[NH+](C)Cc1ccccc1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274147385 488686241 /nfs/dbraw/zinc/68/62/41/488686241.db2.gz BSMPBWUBQPKQGH-UHFFFAOYSA-N 2 2 355.504 0.890 20 0 FCADLP CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000274286796 488695743 /nfs/dbraw/zinc/69/57/43/488695743.db2.gz OYXSWHYHQRHHNJ-UHFFFAOYSA-N 2 2 368.503 0.949 20 0 FCADLP CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000274286796 488695746 /nfs/dbraw/zinc/69/57/46/488695746.db2.gz OYXSWHYHQRHHNJ-UHFFFAOYSA-N 2 2 368.503 0.949 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000274300993 488696817 /nfs/dbraw/zinc/69/68/17/488696817.db2.gz SJBZGMRTCOKTRQ-HNNXBMFYSA-N 2 2 354.476 0.559 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000274300993 488696819 /nfs/dbraw/zinc/69/68/19/488696819.db2.gz SJBZGMRTCOKTRQ-HNNXBMFYSA-N 2 2 354.476 0.559 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000150761276 488699612 /nfs/dbraw/zinc/69/96/12/488699612.db2.gz QTMPKLLBMDLCMS-IRXDYDNUSA-N 2 2 356.511 0.299 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000150761276 488699614 /nfs/dbraw/zinc/69/96/14/488699614.db2.gz QTMPKLLBMDLCMS-IRXDYDNUSA-N 2 2 356.511 0.299 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264710535 488701723 /nfs/dbraw/zinc/70/17/23/488701723.db2.gz KVAUOCYIXPSSDE-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264710535 488701724 /nfs/dbraw/zinc/70/17/24/488701724.db2.gz KVAUOCYIXPSSDE-GOSISDBHSA-N 2 2 358.486 0.789 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCOCC1 ZINC000151212273 488703164 /nfs/dbraw/zinc/70/31/64/488703164.db2.gz QDXCTIVSPVGMAH-KRWDZBQOSA-N 2 2 370.538 0.831 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)NCC[NH+]1CCOCC1 ZINC000264744923 488706347 /nfs/dbraw/zinc/70/63/47/488706347.db2.gz LGEAJROZCYBFJF-RDJZCZTQSA-N 2 2 365.478 0.253 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)NCC[NH+]1CCOCC1 ZINC000264744928 488706385 /nfs/dbraw/zinc/70/63/85/488706385.db2.gz LGEAJROZCYBFJF-WBVHZDCISA-N 2 2 365.478 0.253 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000563089412 491214410 /nfs/dbraw/zinc/21/44/10/491214410.db2.gz OSZHYKJYPCIDBX-AWEZNQCLSA-N 2 2 370.457 0.829 20 0 FCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000152583083 488719897 /nfs/dbraw/zinc/71/98/97/488719897.db2.gz PULHUMNHSRCWMO-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000152583083 488719898 /nfs/dbraw/zinc/71/98/98/488719898.db2.gz PULHUMNHSRCWMO-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000152629148 488720951 /nfs/dbraw/zinc/72/09/51/488720951.db2.gz MSTLMAKKVSAHSO-MRXNPFEDSA-N 2 2 355.442 0.642 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000152629148 488720953 /nfs/dbraw/zinc/72/09/53/488720953.db2.gz MSTLMAKKVSAHSO-MRXNPFEDSA-N 2 2 355.442 0.642 20 0 FCADLP CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000153996790 488736839 /nfs/dbraw/zinc/73/68/39/488736839.db2.gz GRTUWUBJLPVDEB-INIZCTEOSA-N 2 2 362.478 0.939 20 0 FCADLP CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000153996790 488736841 /nfs/dbraw/zinc/73/68/41/488736841.db2.gz GRTUWUBJLPVDEB-INIZCTEOSA-N 2 2 362.478 0.939 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCSC1 ZINC000154118667 488738586 /nfs/dbraw/zinc/73/85/86/488738586.db2.gz XYQLLIFZKYFTAQ-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCSC1 ZINC000154118667 488738587 /nfs/dbraw/zinc/73/85/87/488738587.db2.gz XYQLLIFZKYFTAQ-OAHLLOKOSA-N 2 2 350.488 0.972 20 0 FCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000266891471 488741000 /nfs/dbraw/zinc/74/10/00/488741000.db2.gz FMOYHGHCOXCFBX-CQSZACIVSA-N 2 2 357.414 0.977 20 0 FCADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000274972989 488749434 /nfs/dbraw/zinc/74/94/34/488749434.db2.gz IOFJHMWLNSCBST-CQSZACIVSA-N 2 2 350.488 0.846 20 0 FCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000155748891 488758850 /nfs/dbraw/zinc/75/88/50/488758850.db2.gz BEVPNLBSMZEYTR-IAGOWNOFSA-N 2 2 366.506 0.191 20 0 FCADLP CC(C)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000155850226 488759593 /nfs/dbraw/zinc/75/95/93/488759593.db2.gz URARRWYBHSRZEO-DLBZAZTESA-N 2 2 356.511 0.611 20 0 FCADLP CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000156316266 488764281 /nfs/dbraw/zinc/76/42/81/488764281.db2.gz QQLAMHZCOCOXOA-QGZVFWFLSA-N 2 2 362.474 0.724 20 0 FCADLP CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000156316266 488764284 /nfs/dbraw/zinc/76/42/84/488764284.db2.gz QQLAMHZCOCOXOA-QGZVFWFLSA-N 2 2 362.474 0.724 20 0 FCADLP C[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1n1cc[nH+]c1 ZINC000156449439 488765223 /nfs/dbraw/zinc/76/52/23/488765223.db2.gz HNLQLPYDFICKRV-KBPBESRZSA-N 2 2 371.445 0.213 20 0 FCADLP C[C@H]1CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1n1cc[nH+]c1 ZINC000156449439 488765226 /nfs/dbraw/zinc/76/52/26/488765226.db2.gz HNLQLPYDFICKRV-KBPBESRZSA-N 2 2 371.445 0.213 20 0 FCADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156490676 488765725 /nfs/dbraw/zinc/76/57/25/488765725.db2.gz SHMYPCPWYAFEJG-AGIUHOORSA-N 2 2 374.445 0.017 20 0 FCADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156490676 488765726 /nfs/dbraw/zinc/76/57/26/488765726.db2.gz SHMYPCPWYAFEJG-AGIUHOORSA-N 2 2 374.445 0.017 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000157559449 488772390 /nfs/dbraw/zinc/77/23/90/488772390.db2.gz NRKMEEOKAWIFHL-ZDUSSCGKSA-N 2 2 350.467 0.337 20 0 FCADLP C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000161980106 488799649 /nfs/dbraw/zinc/79/96/49/488799649.db2.gz OXWAHSOGGOFNNO-UHFFFAOYSA-N 2 2 360.458 0.621 20 0 FCADLP C[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000161980106 488799651 /nfs/dbraw/zinc/79/96/51/488799651.db2.gz OXWAHSOGGOFNNO-UHFFFAOYSA-N 2 2 360.458 0.621 20 0 FCADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000162326097 488801963 /nfs/dbraw/zinc/80/19/63/488801963.db2.gz UFICXRZSKDVMSG-CYBMUJFWSA-N 2 2 369.263 0.280 20 0 FCADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000162326097 488801965 /nfs/dbraw/zinc/80/19/65/488801965.db2.gz UFICXRZSKDVMSG-CYBMUJFWSA-N 2 2 369.263 0.280 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000162742555 488805198 /nfs/dbraw/zinc/80/51/98/488805198.db2.gz CDKFSXFGZOOTSV-WMZOPIPTSA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000162742555 488805200 /nfs/dbraw/zinc/80/52/00/488805200.db2.gz CDKFSXFGZOOTSV-WMZOPIPTSA-N 2 2 365.449 0.804 20 0 FCADLP [NH3+]C1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)Cc2ccccc2C1 ZINC000164516489 488810569 /nfs/dbraw/zinc/81/05/69/488810569.db2.gz TWYZMLLIHCPJIX-UHFFFAOYSA-N 2 2 370.497 0.639 20 0 FCADLP [NH3+]C1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)Cc2ccccc2C1 ZINC000164516489 488810570 /nfs/dbraw/zinc/81/05/70/488810570.db2.gz TWYZMLLIHCPJIX-UHFFFAOYSA-N 2 2 370.497 0.639 20 0 FCADLP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000166131208 488811396 /nfs/dbraw/zinc/81/13/96/488811396.db2.gz QHEJGABOEWFKBC-INIZCTEOSA-N 2 2 368.503 0.935 20 0 FCADLP CNC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000170781823 488816077 /nfs/dbraw/zinc/81/60/77/488816077.db2.gz PYQISFDWSGEOAF-UHFFFAOYSA-N 2 2 374.485 0.334 20 0 FCADLP CNC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000170781823 488816079 /nfs/dbraw/zinc/81/60/79/488816079.db2.gz PYQISFDWSGEOAF-UHFFFAOYSA-N 2 2 374.485 0.334 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157617 491223093 /nfs/dbraw/zinc/22/30/93/491223093.db2.gz JEJDKKOFVLQVNH-MRXNPFEDSA-N 3 2 361.490 0.752 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000171977999 488829599 /nfs/dbraw/zinc/82/95/99/488829599.db2.gz ILSFZTAZKTVSOA-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000171977999 488829601 /nfs/dbraw/zinc/82/96/01/488829601.db2.gz ILSFZTAZKTVSOA-KRWDZBQOSA-N 2 2 368.522 0.851 20 0 FCADLP O=C1OCC[C@H]1CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000267974352 488831739 /nfs/dbraw/zinc/83/17/39/488831739.db2.gz VQYOTDNGTWXKHA-OAHLLOKOSA-N 2 2 361.446 0.388 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCN1CCOCC1 ZINC000172253681 488831829 /nfs/dbraw/zinc/83/18/29/488831829.db2.gz MGVJDTNNRILKRI-QGZVFWFLSA-N 2 2 361.490 0.383 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCN1CCOCC1 ZINC000172253681 488831831 /nfs/dbraw/zinc/83/18/31/488831831.db2.gz MGVJDTNNRILKRI-QGZVFWFLSA-N 2 2 361.490 0.383 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000172295275 488832168 /nfs/dbraw/zinc/83/21/68/488832168.db2.gz PPWKNNYNUALDGB-MRXNPFEDSA-N 2 2 351.447 0.397 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000172295275 488832169 /nfs/dbraw/zinc/83/21/69/488832169.db2.gz PPWKNNYNUALDGB-MRXNPFEDSA-N 2 2 351.447 0.397 20 0 FCADLP O=C(CC[N@H+]1CCC[C@H](OCCO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000172292440 488832208 /nfs/dbraw/zinc/83/22/08/488832208.db2.gz RXZDFJVBCZJFHM-KRWDZBQOSA-N 2 2 362.474 0.594 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@H](OCCO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000172292440 488832209 /nfs/dbraw/zinc/83/22/09/488832209.db2.gz RXZDFJVBCZJFHM-KRWDZBQOSA-N 2 2 362.474 0.594 20 0 FCADLP Cc1oc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000268010989 488834123 /nfs/dbraw/zinc/83/41/23/488834123.db2.gz GRRLHVLIMJPDKR-UHFFFAOYSA-N 2 2 372.491 0.333 20 0 FCADLP Cc1oc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000268010989 488834125 /nfs/dbraw/zinc/83/41/25/488834125.db2.gz GRRLHVLIMJPDKR-UHFFFAOYSA-N 2 2 372.491 0.333 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000172789456 488838100 /nfs/dbraw/zinc/83/81/00/488838100.db2.gz CQQPVTQOSNQUGY-SFHVURJKSA-N 2 2 373.545 0.800 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000172847062 488838559 /nfs/dbraw/zinc/83/85/59/488838559.db2.gz HJXVJBJNDQVJSN-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000172847062 488838560 /nfs/dbraw/zinc/83/85/60/488838560.db2.gz HJXVJBJNDQVJSN-GOSISDBHSA-N 2 2 374.485 0.168 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000173073254 488840813 /nfs/dbraw/zinc/84/08/13/488840813.db2.gz CJMTUGMGKMVYEB-GOSISDBHSA-N 2 2 368.522 0.356 20 0 FCADLP CCC(CC)[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173592789 488843938 /nfs/dbraw/zinc/84/39/38/488843938.db2.gz JKKJHCURPJMYPV-WMZOPIPTSA-N 2 2 354.539 0.876 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173657677 488844350 /nfs/dbraw/zinc/84/43/50/488844350.db2.gz FGKYHUOMQQPFKF-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000173782000 488845150 /nfs/dbraw/zinc/84/51/50/488845150.db2.gz SVUOMMGWNCYSDW-OAHLLOKOSA-N 2 2 355.508 0.649 20 0 FCADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000173782000 488845151 /nfs/dbraw/zinc/84/51/51/488845151.db2.gz SVUOMMGWNCYSDW-OAHLLOKOSA-N 2 2 355.508 0.649 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000173794676 488845402 /nfs/dbraw/zinc/84/54/02/488845402.db2.gz MHKXAPJBPTVVIH-KRWDZBQOSA-N 2 2 360.506 0.789 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000173794676 488845403 /nfs/dbraw/zinc/84/54/03/488845403.db2.gz MHKXAPJBPTVVIH-KRWDZBQOSA-N 2 2 360.506 0.789 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000173818819 488845699 /nfs/dbraw/zinc/84/56/99/488845699.db2.gz DJXVKQTYGGBNEV-UHFFFAOYSA-N 2 2 350.467 0.435 20 0 FCADLP C[N@H+](CCCN1C(=O)CNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655902 488850375 /nfs/dbraw/zinc/85/03/75/488850375.db2.gz MOUAYGWBOJLKCI-UHFFFAOYSA-N 2 2 359.474 0.962 20 0 FCADLP C[N@@H+](CCCN1C(=O)CNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655902 488850376 /nfs/dbraw/zinc/85/03/76/488850376.db2.gz MOUAYGWBOJLKCI-UHFFFAOYSA-N 2 2 359.474 0.962 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](CC(N)=O)C3)CC2)CC1 ZINC000175412759 488854041 /nfs/dbraw/zinc/85/40/41/488854041.db2.gz CWSOOOXGHPLQNI-HNNXBMFYSA-N 2 2 365.522 0.842 20 0 FCADLP CC(C)[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC000175650432 488854906 /nfs/dbraw/zinc/85/49/06/488854906.db2.gz FUCXXQOJEUOJLX-OKZBNKHCSA-N 2 2 368.522 0.705 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C[NH+]1CCN(C)CC1 ZINC000175775613 488855400 /nfs/dbraw/zinc/85/54/00/488855400.db2.gz QUGZFUUKWRDZEP-SFHVURJKSA-N 2 2 374.533 0.792 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCOC2CCOCC2)CC1 ZINC000175810280 488856083 /nfs/dbraw/zinc/85/60/83/488856083.db2.gz OXDZWHPPYCKVQQ-UHFFFAOYSA-N 2 2 356.511 0.897 20 0 FCADLP CCS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000177150195 488859291 /nfs/dbraw/zinc/85/92/91/488859291.db2.gz PLGACGQXWPWRPM-UHFFFAOYSA-N 2 2 374.551 0.190 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000177491352 488859417 /nfs/dbraw/zinc/85/94/17/488859417.db2.gz OVFGFUOCIJWRDW-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000179444702 488861315 /nfs/dbraw/zinc/86/13/15/488861315.db2.gz UUNBNCIUNKBUIC-WMZOPIPTSA-N 2 2 373.501 0.919 20 0 FCADLP CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000179444702 488861316 /nfs/dbraw/zinc/86/13/16/488861316.db2.gz UUNBNCIUNKBUIC-WMZOPIPTSA-N 2 2 373.501 0.919 20 0 FCADLP O=S1(=O)CCC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182228673 488864411 /nfs/dbraw/zinc/86/44/11/488864411.db2.gz LZEMQCFKCUHYRJ-GOSISDBHSA-N 2 2 351.516 0.971 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)C1=O ZINC000329197037 488979824 /nfs/dbraw/zinc/97/98/24/488979824.db2.gz VBIITZADTFYSOM-KRWDZBQOSA-N 2 2 368.441 0.692 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000554797004 491225745 /nfs/dbraw/zinc/22/57/45/491225745.db2.gz UYEBROSDFRINRE-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000554797004 491225747 /nfs/dbraw/zinc/22/57/47/491225747.db2.gz UYEBROSDFRINRE-SJORKVTESA-N 2 2 368.522 0.545 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H](O)CN3CCCC3=O)CCC[NH+]2C)cn1 ZINC000364694666 488987576 /nfs/dbraw/zinc/98/75/76/488987576.db2.gz HTXPUEZTSYTILU-VDZJLULYSA-N 2 2 363.506 0.718 20 0 FCADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H](O)CN3CCCC3=O)CCC[NH+]2C)cn1 ZINC000364694666 488987577 /nfs/dbraw/zinc/98/75/77/488987577.db2.gz HTXPUEZTSYTILU-VDZJLULYSA-N 2 2 363.506 0.718 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)CN3CCCC3=O)CCC[N@@H+]2C)cn1 ZINC000364694666 488987580 /nfs/dbraw/zinc/98/75/80/488987580.db2.gz HTXPUEZTSYTILU-VDZJLULYSA-N 2 2 363.506 0.718 20 0 FCADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)CN3CCCC3=O)CCC[N@H+]2C)cn1 ZINC000364694666 488987583 /nfs/dbraw/zinc/98/75/83/488987583.db2.gz HTXPUEZTSYTILU-VDZJLULYSA-N 2 2 363.506 0.718 20 0 FCADLP CC[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000329354520 488996861 /nfs/dbraw/zinc/99/68/61/488996861.db2.gz VKTHACOMPCSAGO-DLBZAZTESA-N 2 2 374.551 0.301 20 0 FCADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(=O)N3CC[NH2+]CC3)cn2c1 ZINC000563200994 491226934 /nfs/dbraw/zinc/22/69/34/491226934.db2.gz DOOMXPQEMVCSBG-UHFFFAOYSA-N 2 2 361.471 0.424 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccnc3Cl)C2)CC1 ZINC000364755914 488998227 /nfs/dbraw/zinc/99/82/27/488998227.db2.gz NIQUQHQHRLTJPD-GFCCVEGCSA-N 2 2 365.865 0.958 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccnc3Cl)C2)CC1 ZINC000364755914 488998232 /nfs/dbraw/zinc/99/82/32/488998232.db2.gz NIQUQHQHRLTJPD-GFCCVEGCSA-N 2 2 365.865 0.958 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329419731 489002652 /nfs/dbraw/zinc/00/26/52/489002652.db2.gz GQKWDHJEVZFBID-UHFFFAOYSA-N 2 2 368.441 0.648 20 0 FCADLP CC[NH+]1CCN([C@@H]2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)CC1 ZINC000364861104 489011040 /nfs/dbraw/zinc/01/10/40/489011040.db2.gz PJTLPEAEQWVNDE-DLBZAZTESA-N 2 2 360.506 1.284 20 0 FCADLP O[C@@H]1C[C@@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@H+](Cc2ccccc2)C1 ZINC000364908712 489016709 /nfs/dbraw/zinc/01/67/09/489016709.db2.gz JNMLWWJHWYHSJW-ZWKOTPCHSA-N 2 2 369.469 1.361 20 0 FCADLP O[C@@H]1C[C@@H](CNc2cc[nH+]c(N3CCOCC3)n2)[N@@H+](Cc2ccccc2)C1 ZINC000364908712 489016712 /nfs/dbraw/zinc/01/67/12/489016712.db2.gz JNMLWWJHWYHSJW-ZWKOTPCHSA-N 2 2 369.469 1.361 20 0 FCADLP CN(CCC[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21)CC[NH+](C)C ZINC000288791731 489016852 /nfs/dbraw/zinc/01/68/52/489016852.db2.gz CKLRFHGBVFDSCK-UHFFFAOYSA-N 2 2 361.490 0.787 20 0 FCADLP CN(CCC[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21)CC[NH+](C)C ZINC000288791731 489016853 /nfs/dbraw/zinc/01/68/53/489016853.db2.gz CKLRFHGBVFDSCK-UHFFFAOYSA-N 2 2 361.490 0.787 20 0 FCADLP C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000280676855 489023777 /nfs/dbraw/zinc/02/37/77/489023777.db2.gz GHPFLMYWBMNYBZ-IBGZPJMESA-N 2 2 360.458 0.655 20 0 FCADLP C[C@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000280676855 489023779 /nfs/dbraw/zinc/02/37/79/489023779.db2.gz GHPFLMYWBMNYBZ-IBGZPJMESA-N 2 2 360.458 0.655 20 0 FCADLP O[C@H](C[NH+]1CCS[C@@H]2COCC[C@H]21)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976740 489025545 /nfs/dbraw/zinc/02/55/45/489025545.db2.gz FMGBPAHPXZCOON-NQNKBUKLSA-N 2 2 374.572 0.760 20 0 FCADLP O[C@H](C[NH+]1CCS[C@@H]2COCC[C@H]21)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976740 489025546 /nfs/dbraw/zinc/02/55/46/489025546.db2.gz FMGBPAHPXZCOON-NQNKBUKLSA-N 2 2 374.572 0.760 20 0 FCADLP O[C@@H](C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000364976740 489025547 /nfs/dbraw/zinc/02/55/47/489025547.db2.gz FMGBPAHPXZCOON-NQNKBUKLSA-N 2 2 374.572 0.760 20 0 FCADLP O[C@@H](C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000364976740 489025548 /nfs/dbraw/zinc/02/55/48/489025548.db2.gz FMGBPAHPXZCOON-NQNKBUKLSA-N 2 2 374.572 0.760 20 0 FCADLP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)([NH+]2CCCCC2)CC1 ZINC000365024647 489030505 /nfs/dbraw/zinc/03/05/05/489030505.db2.gz CHGWNYAAYUQHGD-HUUCEWRRSA-N 2 2 352.479 0.086 20 0 FCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329806097 489037832 /nfs/dbraw/zinc/03/78/32/489037832.db2.gz AXEROOYPTZDHDF-LSDHHAIUSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329806097 489037835 /nfs/dbraw/zinc/03/78/35/489037835.db2.gz AXEROOYPTZDHDF-LSDHHAIUSA-N 2 2 350.467 0.772 20 0 FCADLP C[C@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CO1 ZINC000329910926 489048779 /nfs/dbraw/zinc/04/87/79/489048779.db2.gz AEVMQUBHNXYQHE-JKSUJKDBSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)n1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000281075997 489051613 /nfs/dbraw/zinc/05/16/13/489051613.db2.gz REHJCTGSIMIBLX-UHFFFAOYSA-N 2 2 364.494 0.887 20 0 FCADLP CC(C)n1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000281075997 489051616 /nfs/dbraw/zinc/05/16/16/489051616.db2.gz REHJCTGSIMIBLX-UHFFFAOYSA-N 2 2 364.494 0.887 20 0 FCADLP CN(C(=O)CCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365231673 489051945 /nfs/dbraw/zinc/05/19/45/489051945.db2.gz YFJSGFPPNMTHEI-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP CN(C(=O)CCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365231673 489051948 /nfs/dbraw/zinc/05/19/48/489051948.db2.gz YFJSGFPPNMTHEI-QGZVFWFLSA-N 2 2 366.506 0.252 20 0 FCADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000289265250 489054063 /nfs/dbraw/zinc/05/40/63/489054063.db2.gz WMZVCPZWOGFUSK-SJLPKXTDSA-N 2 2 363.506 0.843 20 0 FCADLP O=C(CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000365354702 489067105 /nfs/dbraw/zinc/06/71/05/489067105.db2.gz IHJZRRMIAFWOIF-DLBZAZTESA-N 2 2 371.485 0.721 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000289689057 489086500 /nfs/dbraw/zinc/08/65/00/489086500.db2.gz DXDAANWXXVBBOM-IAGOWNOFSA-N 2 2 363.458 0.765 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn(Cc4ccccn4)nn3)C2)CC1 ZINC000365586882 489090868 /nfs/dbraw/zinc/09/08/68/489090868.db2.gz YRDCNGAONRELEY-INIZCTEOSA-N 2 2 369.473 0.620 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn(Cc4ccccn4)nn3)C2)CC1 ZINC000365586882 489090872 /nfs/dbraw/zinc/09/08/72/489090872.db2.gz YRDCNGAONRELEY-INIZCTEOSA-N 2 2 369.473 0.620 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000365619904 489093476 /nfs/dbraw/zinc/09/34/76/489093476.db2.gz CEABTGJDEYXWCM-ZDUSSCGKSA-N 2 2 371.445 0.047 20 0 FCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000289831394 489096511 /nfs/dbraw/zinc/09/65/11/489096511.db2.gz JSXQLPHFKKBPAC-KGLIPLIRSA-N 2 2 369.487 0.827 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000570308299 491232792 /nfs/dbraw/zinc/23/27/92/491232792.db2.gz YKEZBLWOFCUFSU-JKSUJKDBSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000290275872 489126899 /nfs/dbraw/zinc/12/68/99/489126899.db2.gz ALWJSCZSWDAZSK-DLBZAZTESA-N 2 2 371.485 0.863 20 0 FCADLP COc1cncc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000282069096 489130408 /nfs/dbraw/zinc/13/04/08/489130408.db2.gz ZLRNTDXVIMJFDQ-UHFFFAOYSA-N 2 2 356.492 0.737 20 0 FCADLP COc1cncc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000282069096 489130411 /nfs/dbraw/zinc/13/04/11/489130411.db2.gz ZLRNTDXVIMJFDQ-UHFFFAOYSA-N 2 2 356.492 0.737 20 0 FCADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000290641000 489155008 /nfs/dbraw/zinc/15/50/08/489155008.db2.gz ZMUPCJZNASMKKQ-OAHLLOKOSA-N 2 2 364.446 0.088 20 0 FCADLP CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366196694 489156250 /nfs/dbraw/zinc/15/62/50/489156250.db2.gz PHPQZJGMMHGZIQ-RDJZCZTQSA-N 2 2 365.522 0.854 20 0 FCADLP CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366196694 489156252 /nfs/dbraw/zinc/15/62/52/489156252.db2.gz PHPQZJGMMHGZIQ-RDJZCZTQSA-N 2 2 365.522 0.854 20 0 FCADLP CC1CC[NH+](CC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000366198615 489156844 /nfs/dbraw/zinc/15/68/44/489156844.db2.gz VLVBHUSUGLMLFD-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP CC1CC[NH+](CC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000366198615 489156846 /nfs/dbraw/zinc/15/68/46/489156846.db2.gz VLVBHUSUGLMLFD-UHFFFAOYSA-N 2 2 350.507 0.875 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1c[nH+]cn1C ZINC000290729568 489161026 /nfs/dbraw/zinc/16/10/26/489161026.db2.gz MUZFCHQYCWQTBS-OAHLLOKOSA-N 2 2 357.462 0.825 20 0 FCADLP CS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000282439362 489164021 /nfs/dbraw/zinc/16/40/21/489164021.db2.gz ZHSIFNLUWGBPOF-OAHLLOKOSA-N 2 2 366.487 0.239 20 0 FCADLP CS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000282439362 489164024 /nfs/dbraw/zinc/16/40/24/489164024.db2.gz ZHSIFNLUWGBPOF-OAHLLOKOSA-N 2 2 366.487 0.239 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262836 489164130 /nfs/dbraw/zinc/16/41/30/489164130.db2.gz NLDQSGZMFQZSTM-DLBZAZTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262836 489164133 /nfs/dbraw/zinc/16/41/33/489164133.db2.gz NLDQSGZMFQZSTM-DLBZAZTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366262836 489164134 /nfs/dbraw/zinc/16/41/34/489164134.db2.gz NLDQSGZMFQZSTM-DLBZAZTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366262836 489164137 /nfs/dbraw/zinc/16/41/37/489164137.db2.gz NLDQSGZMFQZSTM-DLBZAZTESA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21)[NH+]1CCOCC1 ZINC000366367848 489174853 /nfs/dbraw/zinc/17/48/53/489174853.db2.gz ZTHGCHKRVRBJQC-GJZGRUSLSA-N 2 2 357.520 0.420 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCS[C@H]2COCC[C@@H]21)[NH+]1CCOCC1 ZINC000366367848 489174854 /nfs/dbraw/zinc/17/48/54/489174854.db2.gz ZTHGCHKRVRBJQC-GJZGRUSLSA-N 2 2 357.520 0.420 20 0 FCADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115157 489175037 /nfs/dbraw/zinc/17/50/37/489175037.db2.gz LLZQLSBCZLQKHJ-DZGCQCFKSA-N 2 2 355.504 0.995 20 0 FCADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccc1S(C)(=O)=O ZINC000331115157 489175038 /nfs/dbraw/zinc/17/50/38/489175038.db2.gz LLZQLSBCZLQKHJ-DZGCQCFKSA-N 2 2 355.504 0.995 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366373869 489175072 /nfs/dbraw/zinc/17/50/72/489175072.db2.gz NUWDHDYFVQRCPH-QZTJIDSGSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366373869 489175076 /nfs/dbraw/zinc/17/50/76/489175076.db2.gz NUWDHDYFVQRCPH-QZTJIDSGSA-N 2 2 351.491 0.999 20 0 FCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366449886 489183330 /nfs/dbraw/zinc/18/33/30/489183330.db2.gz HOCBIKXFDZRFDC-IRXDYDNUSA-N 2 2 354.495 0.602 20 0 FCADLP CN(C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCSC1 ZINC000331394381 489205754 /nfs/dbraw/zinc/20/57/54/489205754.db2.gz BQZTXHMUICCGEQ-INIZCTEOSA-N 2 2 368.547 0.625 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H]([NH+]3CC=CC3)C1)C2 ZINC000297555883 489208054 /nfs/dbraw/zinc/20/80/54/489208054.db2.gz CJPMXUUFTUTPDN-HNNXBMFYSA-N 2 2 371.485 0.901 20 0 FCADLP C[NH+](C)CCOc1cc(CNC(=O)C(C)(C)[NH+]2CCOCC2)ccn1 ZINC000283066807 489212259 /nfs/dbraw/zinc/21/22/59/489212259.db2.gz CSJRJKQMQIWTTE-UHFFFAOYSA-N 2 2 350.463 0.749 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000283251532 489233139 /nfs/dbraw/zinc/23/31/39/489233139.db2.gz WZROMUBNZJURIA-HNNXBMFYSA-N 2 2 361.490 0.743 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000283251532 489233141 /nfs/dbraw/zinc/23/31/41/489233141.db2.gz WZROMUBNZJURIA-HNNXBMFYSA-N 2 2 361.490 0.743 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000283253852 489234010 /nfs/dbraw/zinc/23/40/10/489234010.db2.gz MCEHMJZOHNVLIE-RDJZCZTQSA-N 2 2 359.474 0.865 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000283253852 489234014 /nfs/dbraw/zinc/23/40/14/489234014.db2.gz MCEHMJZOHNVLIE-RDJZCZTQSA-N 2 2 359.474 0.865 20 0 FCADLP CCOc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1O ZINC000297757370 489235637 /nfs/dbraw/zinc/23/56/37/489235637.db2.gz UTPOVEXUHGJSSN-INIZCTEOSA-N 2 2 363.458 0.814 20 0 FCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH2+]C)c3cnn(C)c3)CC2)cn1 ZINC000570447921 491241406 /nfs/dbraw/zinc/24/14/06/491241406.db2.gz DIJVAOFZUCYAMI-KRWDZBQOSA-N 2 2 359.478 0.632 20 0 FCADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH2+]C)c3cnn(C)c3)CC2)cn1 ZINC000570447921 491241408 /nfs/dbraw/zinc/24/14/08/491241408.db2.gz DIJVAOFZUCYAMI-KRWDZBQOSA-N 2 2 359.478 0.632 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000332894517 489243722 /nfs/dbraw/zinc/24/37/22/489243722.db2.gz WCHPAIVWHYBWSL-WMZOPIPTSA-N 2 2 360.506 0.716 20 0 FCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000332894517 489243724 /nfs/dbraw/zinc/24/37/24/489243724.db2.gz WCHPAIVWHYBWSL-WMZOPIPTSA-N 2 2 360.506 0.716 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000297805832 489243920 /nfs/dbraw/zinc/24/39/20/489243920.db2.gz PBVPKNWEHDMPNC-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000297805832 489243922 /nfs/dbraw/zinc/24/39/22/489243922.db2.gz PBVPKNWEHDMPNC-KRWDZBQOSA-N 2 2 358.486 0.883 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000369523806 489248922 /nfs/dbraw/zinc/24/89/22/489248922.db2.gz XTBQFEWGJOYSHN-ZACQAIPSSA-N 2 2 354.495 0.195 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000283372117 489251512 /nfs/dbraw/zinc/25/15/12/489251512.db2.gz VPSULIZZGQTHRT-OAHLLOKOSA-N 2 2 359.430 0.936 20 0 FCADLP CNc1nc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]c2ccccc21 ZINC000333531373 489261933 /nfs/dbraw/zinc/26/19/33/489261933.db2.gz JBXHIDKXOIYFBL-MRXNPFEDSA-N 2 2 354.458 1.414 20 0 FCADLP CNc1nc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]c2ccccc21 ZINC000333531373 489261935 /nfs/dbraw/zinc/26/19/35/489261935.db2.gz JBXHIDKXOIYFBL-MRXNPFEDSA-N 2 2 354.458 1.414 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000297955829 489268720 /nfs/dbraw/zinc/26/87/20/489268720.db2.gz VFSCEQLEWSMDGD-CVEARBPZSA-N 2 2 357.458 0.283 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000297955829 489268722 /nfs/dbraw/zinc/26/87/22/489268722.db2.gz VFSCEQLEWSMDGD-CVEARBPZSA-N 2 2 357.458 0.283 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000297955841 489268774 /nfs/dbraw/zinc/26/87/74/489268774.db2.gz VFSCEQLEWSMDGD-JKSUJKDBSA-N 2 2 357.458 0.283 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000297955841 489268775 /nfs/dbraw/zinc/26/87/75/489268775.db2.gz VFSCEQLEWSMDGD-JKSUJKDBSA-N 2 2 357.458 0.283 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccsc1 ZINC000283534079 489271151 /nfs/dbraw/zinc/27/11/51/489271151.db2.gz DJPGTTUMYQSXPF-UHFFFAOYSA-N 2 2 352.504 0.849 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1ccsc1 ZINC000283534079 489271154 /nfs/dbraw/zinc/27/11/54/489271154.db2.gz DJPGTTUMYQSXPF-UHFFFAOYSA-N 2 2 352.504 0.849 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467602 491243168 /nfs/dbraw/zinc/24/31/68/491243168.db2.gz CLLRRFILBRHUMS-CJNGLKHVSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467602 491243169 /nfs/dbraw/zinc/24/31/69/491243169.db2.gz CLLRRFILBRHUMS-CJNGLKHVSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283568232 489276558 /nfs/dbraw/zinc/27/65/58/489276558.db2.gz UESGMCVCPDTBFS-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283568232 489276560 /nfs/dbraw/zinc/27/65/60/489276560.db2.gz UESGMCVCPDTBFS-FUHWJXTLSA-N 2 2 374.485 0.214 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)C2)CC1 ZINC000369820628 489279021 /nfs/dbraw/zinc/27/90/21/489279021.db2.gz CHSLUMQYJBPXJB-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)C2)CC1 ZINC000369820628 489279024 /nfs/dbraw/zinc/27/90/24/489279024.db2.gz CHSLUMQYJBPXJB-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000298043198 489281514 /nfs/dbraw/zinc/28/15/14/489281514.db2.gz PEQNTBXLOQEGHV-CVEARBPZSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000298043198 489281516 /nfs/dbraw/zinc/28/15/16/489281516.db2.gz PEQNTBXLOQEGHV-CVEARBPZSA-N 2 2 359.474 0.671 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283679964 489290092 /nfs/dbraw/zinc/29/00/92/489290092.db2.gz FVVWHMNYZIGKQW-HNNXBMFYSA-N 2 2 362.474 0.201 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000555328604 491246533 /nfs/dbraw/zinc/24/65/33/491246533.db2.gz XMMYPUAYNARUPC-FUHIMQAGSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000555328604 491246535 /nfs/dbraw/zinc/24/65/35/491246535.db2.gz XMMYPUAYNARUPC-FUHIMQAGSA-N 2 2 374.485 0.999 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000563442726 491247211 /nfs/dbraw/zinc/24/72/11/491247211.db2.gz SLWAFGLTWZAPCY-FUHWJXTLSA-N 2 2 358.486 0.514 20 0 FCADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000563442726 491247213 /nfs/dbraw/zinc/24/72/13/491247213.db2.gz SLWAFGLTWZAPCY-FUHWJXTLSA-N 2 2 358.486 0.514 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000298257800 489308976 /nfs/dbraw/zinc/30/89/76/489308976.db2.gz MBLDGKHIYFNAKI-UHFFFAOYSA-N 2 2 350.488 0.209 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)CCSC1 ZINC000284268634 489309195 /nfs/dbraw/zinc/30/91/95/489309195.db2.gz VUICULNSZNOHFR-QGZVFWFLSA-N 2 2 365.503 0.553 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075983 489313785 /nfs/dbraw/zinc/31/37/85/489313785.db2.gz CUWUBCXMYRUHFK-SJORKVTESA-N 3 2 353.511 0.175 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000370075983 489313788 /nfs/dbraw/zinc/31/37/88/489313788.db2.gz CUWUBCXMYRUHFK-SJORKVTESA-N 3 2 353.511 0.175 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000370075980 489313890 /nfs/dbraw/zinc/31/38/90/489313890.db2.gz CUWUBCXMYRUHFK-DLBZAZTESA-N 3 2 353.511 0.175 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000370075980 489313891 /nfs/dbraw/zinc/31/38/91/489313891.db2.gz CUWUBCXMYRUHFK-DLBZAZTESA-N 3 2 353.511 0.175 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCOc3ccc(C(N)=O)cc3)C2)CC1 ZINC000370113613 489316509 /nfs/dbraw/zinc/31/65/09/489316509.db2.gz RRDOVMNHRKMCOT-MRXNPFEDSA-N 2 2 374.485 0.839 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCOc3ccc(C(N)=O)cc3)C2)CC1 ZINC000370113613 489316512 /nfs/dbraw/zinc/31/65/12/489316512.db2.gz RRDOVMNHRKMCOT-MRXNPFEDSA-N 2 2 374.485 0.839 20 0 FCADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000298382712 489321555 /nfs/dbraw/zinc/32/15/55/489321555.db2.gz SJBIIZILTPEABK-UHFFFAOYSA-N 2 2 373.482 0.674 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285860766 489327432 /nfs/dbraw/zinc/32/74/32/489327432.db2.gz YJZCCJVMSOKGHL-AWEZNQCLSA-N 2 2 354.451 0.894 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285860766 489327436 /nfs/dbraw/zinc/32/74/36/489327436.db2.gz YJZCCJVMSOKGHL-AWEZNQCLSA-N 2 2 354.451 0.894 20 0 FCADLP COC[C@H](C)NC(=O)NC(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285860766 489327443 /nfs/dbraw/zinc/32/74/43/489327443.db2.gz YJZCCJVMSOKGHL-AWEZNQCLSA-N 2 2 354.451 0.894 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209890 489328484 /nfs/dbraw/zinc/32/84/84/489328484.db2.gz LNVNCMHQFBRGDS-YJBOKZPZSA-N 2 2 357.458 0.859 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)C2)CC1 ZINC000370209890 489328485 /nfs/dbraw/zinc/32/84/85/489328485.db2.gz LNVNCMHQFBRGDS-YJBOKZPZSA-N 2 2 357.458 0.859 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000285878791 489329704 /nfs/dbraw/zinc/32/97/04/489329704.db2.gz BXLODNPCZHXWDU-LJQANCHMSA-N 2 2 360.502 0.689 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000370267515 489337404 /nfs/dbraw/zinc/33/74/04/489337404.db2.gz SHKZWPLPMPBGKG-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1O ZINC000370267515 489337408 /nfs/dbraw/zinc/33/74/08/489337408.db2.gz SHKZWPLPMPBGKG-DLBZAZTESA-N 2 2 353.507 0.840 20 0 FCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000286016661 489346470 /nfs/dbraw/zinc/34/64/70/489346470.db2.gz RTPZCZKGHNPTBG-KRWDZBQOSA-N 2 2 369.425 0.905 20 0 FCADLP C[NH+]1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000298691091 489353513 /nfs/dbraw/zinc/35/35/13/489353513.db2.gz ZMJMSNHXKAMXGP-UHFFFAOYSA-N 2 2 359.474 0.531 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000563460699 491249396 /nfs/dbraw/zinc/24/93/96/491249396.db2.gz HDYAAMHCHSYDHZ-HNNXBMFYSA-N 2 2 364.494 1.115 20 0 FCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286105026 489356765 /nfs/dbraw/zinc/35/67/65/489356765.db2.gz NTYRHOLDAJFGGB-SFHVURJKSA-N 2 2 358.486 0.639 20 0 FCADLP C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000370427437 489358661 /nfs/dbraw/zinc/35/86/61/489358661.db2.gz FQWMPDLJPDMAAW-SFHVURJKSA-N 2 2 353.507 0.793 20 0 FCADLP C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000370427437 489358665 /nfs/dbraw/zinc/35/86/65/489358665.db2.gz FQWMPDLJPDMAAW-SFHVURJKSA-N 2 2 353.507 0.793 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000370427437 489358667 /nfs/dbraw/zinc/35/86/67/489358667.db2.gz FQWMPDLJPDMAAW-SFHVURJKSA-N 2 2 353.507 0.793 20 0 FCADLP C[NH+](CCCO)C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000370427437 489358670 /nfs/dbraw/zinc/35/86/70/489358670.db2.gz FQWMPDLJPDMAAW-SFHVURJKSA-N 2 2 353.507 0.793 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561237 491249887 /nfs/dbraw/zinc/24/98/87/491249887.db2.gz BOPSDRIBOVMYPR-IEBWSBKVSA-N 2 2 362.474 0.426 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000570561237 491249889 /nfs/dbraw/zinc/24/98/89/491249889.db2.gz BOPSDRIBOVMYPR-IEBWSBKVSA-N 2 2 362.474 0.426 20 0 FCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000370592478 489379477 /nfs/dbraw/zinc/37/94/77/489379477.db2.gz GVRMMEJNWUVIOS-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000370592478 489379479 /nfs/dbraw/zinc/37/94/79/489379479.db2.gz GVRMMEJNWUVIOS-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000370592478 489379480 /nfs/dbraw/zinc/37/94/80/489379480.db2.gz GVRMMEJNWUVIOS-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000370592478 489379482 /nfs/dbraw/zinc/37/94/82/489379482.db2.gz GVRMMEJNWUVIOS-NRFANRHFSA-N 3 2 374.529 0.719 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688100 489392417 /nfs/dbraw/zinc/39/24/17/489392417.db2.gz LJDKZSXLFLDAQQ-UXHICEINSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+]2CCOCC2)cc1 ZINC000362688100 489392419 /nfs/dbraw/zinc/39/24/19/489392419.db2.gz LJDKZSXLFLDAQQ-UXHICEINSA-N 2 2 372.513 0.874 20 0 FCADLP Cc1sc(=O)n(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000362708002 489393431 /nfs/dbraw/zinc/39/34/31/489393431.db2.gz ALGXZZADIFIEIG-AWEZNQCLSA-N 2 2 352.504 0.811 20 0 FCADLP Cc1sc(=O)n(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000362708002 489393434 /nfs/dbraw/zinc/39/34/34/489393434.db2.gz ALGXZZADIFIEIG-AWEZNQCLSA-N 2 2 352.504 0.811 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000362961083 489407849 /nfs/dbraw/zinc/40/78/49/489407849.db2.gz CXOHGKYLMPVVNP-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000362961083 489407852 /nfs/dbraw/zinc/40/78/52/489407852.db2.gz CXOHGKYLMPVVNP-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP CCC(=O)N1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856097 489412881 /nfs/dbraw/zinc/41/28/81/489412881.db2.gz JWLRFTCYSMGSNU-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CCC(=O)N1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370856097 489412884 /nfs/dbraw/zinc/41/28/84/489412884.db2.gz JWLRFTCYSMGSNU-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1Cl ZINC000563549597 491254307 /nfs/dbraw/zinc/25/43/07/491254307.db2.gz JRGSTMOJLLZVEF-ZOWXZIJZSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1Cl ZINC000563549597 491254309 /nfs/dbraw/zinc/25/43/09/491254309.db2.gz JRGSTMOJLLZVEF-ZOWXZIJZSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000286743351 489424346 /nfs/dbraw/zinc/42/43/46/489424346.db2.gz GKOVARYSMUQZKG-KFWWJZLASA-N 2 2 363.462 0.137 20 0 FCADLP COC(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363105552 489424960 /nfs/dbraw/zinc/42/49/60/489424960.db2.gz UVYOINMBRQYURG-HOCLYGCPSA-N 2 2 352.479 0.892 20 0 FCADLP COC(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363105552 489424964 /nfs/dbraw/zinc/42/49/64/489424964.db2.gz UVYOINMBRQYURG-HOCLYGCPSA-N 2 2 352.479 0.892 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286915170 489442904 /nfs/dbraw/zinc/44/29/04/489442904.db2.gz PWAUVKWODCRNMH-OAHLLOKOSA-N 2 2 355.442 0.769 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286915170 489442907 /nfs/dbraw/zinc/44/29/07/489442907.db2.gz PWAUVKWODCRNMH-OAHLLOKOSA-N 2 2 355.442 0.769 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000286977446 489448144 /nfs/dbraw/zinc/44/81/44/489448144.db2.gz AVACNLLCMMAFMG-AWEZNQCLSA-N 2 2 358.446 0.784 20 0 FCADLP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000563615172 491258407 /nfs/dbraw/zinc/25/84/07/491258407.db2.gz CHTUHVDPPCZWSI-MRXNPFEDSA-N 2 2 359.474 0.885 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000563615171 491258486 /nfs/dbraw/zinc/25/84/86/491258486.db2.gz CHTUHVDPPCZWSI-INIZCTEOSA-N 2 2 359.474 0.885 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000287033377 489454237 /nfs/dbraw/zinc/45/42/37/489454237.db2.gz WDURNBFLNQDOPF-UHFFFAOYSA-N 2 2 363.462 0.140 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc(F)cc1 ZINC000563560648 491255139 /nfs/dbraw/zinc/25/51/39/491255139.db2.gz OQPDRQUCSMRCFT-CVEARBPZSA-N 2 2 360.437 0.851 20 0 FCADLP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000287190766 489469137 /nfs/dbraw/zinc/46/91/37/489469137.db2.gz HSOCBIJVNMJMLN-CZUORRHYSA-N 2 2 362.478 0.866 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296457 489474473 /nfs/dbraw/zinc/47/44/73/489474473.db2.gz ZNJYHHHSKMIGEM-BMFZPTHFSA-N 2 2 364.446 0.789 20 0 FCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(=O)NCc1ccco1 ZINC000371296457 489474474 /nfs/dbraw/zinc/47/44/74/489474474.db2.gz ZNJYHHHSKMIGEM-BMFZPTHFSA-N 2 2 364.446 0.789 20 0 FCADLP COC(=O)[C@H](C)C[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363521015 489474864 /nfs/dbraw/zinc/47/48/64/489474864.db2.gz XCGZZPMXHLZQLV-MRXNPFEDSA-N 2 2 369.506 0.879 20 0 FCADLP COC(=O)[C@H](C)C[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000363521015 489474866 /nfs/dbraw/zinc/47/48/66/489474866.db2.gz XCGZZPMXHLZQLV-MRXNPFEDSA-N 2 2 369.506 0.879 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(=O)OC ZINC000371299962 489475170 /nfs/dbraw/zinc/47/51/70/489475170.db2.gz LXFPJVGPIBQOAX-WXQHOCMDSA-N 2 2 369.506 0.874 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(=O)OC ZINC000371299962 489475172 /nfs/dbraw/zinc/47/51/72/489475172.db2.gz LXFPJVGPIBQOAX-WXQHOCMDSA-N 2 2 369.506 0.874 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000363539934 489477334 /nfs/dbraw/zinc/47/73/34/489477334.db2.gz QNWFHUICNAXBRU-ZWKOTPCHSA-N 3 2 351.539 0.251 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363539934 489477336 /nfs/dbraw/zinc/47/73/36/489477336.db2.gz QNWFHUICNAXBRU-ZWKOTPCHSA-N 3 2 351.539 0.251 20 0 FCADLP CCCN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000563579358 491256333 /nfs/dbraw/zinc/25/63/33/491256333.db2.gz JOAVQCJTDMRWAN-WBVHZDCISA-N 2 2 356.536 0.978 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580175 489481057 /nfs/dbraw/zinc/48/10/57/489481057.db2.gz LKXASJZRSLWVRM-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580175 489481058 /nfs/dbraw/zinc/48/10/58/489481058.db2.gz LKXASJZRSLWVRM-HZPDHXFCSA-N 3 2 353.511 0.175 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363580175 489481060 /nfs/dbraw/zinc/48/10/60/489481060.db2.gz LKXASJZRSLWVRM-HZPDHXFCSA-N 2 2 353.511 0.175 20 0 FCADLP C[C@H](CN1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363580175 489481062 /nfs/dbraw/zinc/48/10/62/489481062.db2.gz LKXASJZRSLWVRM-HZPDHXFCSA-N 2 2 353.511 0.175 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)n1C ZINC000414308540 489495516 /nfs/dbraw/zinc/49/55/16/489495516.db2.gz QOVYMDGFQUEVHC-OAHLLOKOSA-N 2 2 373.457 0.900 20 0 FCADLP CCOC(=O)COCC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526634 489508289 /nfs/dbraw/zinc/50/82/89/489508289.db2.gz IMJAOHQUPBDAJY-GOSISDBHSA-N 2 2 369.506 0.832 20 0 FCADLP CCOC(=O)COCC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526634 489508292 /nfs/dbraw/zinc/50/82/92/489508292.db2.gz IMJAOHQUPBDAJY-GOSISDBHSA-N 2 2 369.506 0.832 20 0 FCADLP CCOC(=O)COCC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526634 489508295 /nfs/dbraw/zinc/50/82/95/489508295.db2.gz IMJAOHQUPBDAJY-GOSISDBHSA-N 2 2 369.506 0.832 20 0 FCADLP CCOC(=O)COCC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526634 489508297 /nfs/dbraw/zinc/50/82/97/489508297.db2.gz IMJAOHQUPBDAJY-GOSISDBHSA-N 2 2 369.506 0.832 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)Cc2ccccc2C1 ZINC000414888957 489511798 /nfs/dbraw/zinc/51/17/98/489511798.db2.gz SDUNNWCSRBSLPZ-UHFFFAOYSA-N 2 2 353.426 0.818 20 0 FCADLP [NH3+]C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000415193015 489513379 /nfs/dbraw/zinc/51/33/79/489513379.db2.gz WCRKZCIJFBARMJ-MRXNPFEDSA-N 2 2 364.494 1.244 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000415379714 489516437 /nfs/dbraw/zinc/51/64/37/489516437.db2.gz OKTZYHUXOXEYHB-SFHVURJKSA-N 2 2 373.501 0.631 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C[C@H]1O ZINC000451745771 489521640 /nfs/dbraw/zinc/52/16/40/489521640.db2.gz BERZZHHHKICWPI-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C[C@H]1O ZINC000451745771 489521644 /nfs/dbraw/zinc/52/16/44/489521644.db2.gz BERZZHHHKICWPI-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C[C@H]1O ZINC000451745771 489521648 /nfs/dbraw/zinc/52/16/48/489521648.db2.gz BERZZHHHKICWPI-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C[C@H]1O ZINC000451745771 489521651 /nfs/dbraw/zinc/52/16/51/489521651.db2.gz BERZZHHHKICWPI-RTBURBONSA-N 2 2 361.486 0.721 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415595895 489534061 /nfs/dbraw/zinc/53/40/61/489534061.db2.gz BNAYVBDUWJOFGM-UHFFFAOYSA-N 2 2 370.400 0.210 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000563660618 491261330 /nfs/dbraw/zinc/26/13/30/491261330.db2.gz RZXBAYBWZXHJSE-UHFFFAOYSA-N 2 2 364.465 0.976 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000563660618 491261333 /nfs/dbraw/zinc/26/13/33/491261333.db2.gz RZXBAYBWZXHJSE-UHFFFAOYSA-N 2 2 364.465 0.976 20 0 FCADLP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000372101043 489544327 /nfs/dbraw/zinc/54/43/27/489544327.db2.gz HGGYJGGOHBVKJW-SFHVURJKSA-N 2 2 351.422 0.715 20 0 FCADLP C[C@@H]1C[C@H]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000563662064 491262127 /nfs/dbraw/zinc/26/21/27/491262127.db2.gz VITXOFFXCJFULB-CVEARBPZSA-N 2 2 350.507 0.729 20 0 FCADLP COC(=O)C1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000426014644 489553028 /nfs/dbraw/zinc/55/30/28/489553028.db2.gz DGMKNCPLEMLOGA-UYSNPLJNSA-N 2 2 353.463 0.241 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138804 489556199 /nfs/dbraw/zinc/55/61/99/489556199.db2.gz JEIKWLBRANNZMR-CHWSQXEVSA-N 2 2 364.412 0.539 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426138804 489556200 /nfs/dbraw/zinc/55/62/00/489556200.db2.gz JEIKWLBRANNZMR-CHWSQXEVSA-N 2 2 364.412 0.539 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@H]1[NH3+] ZINC000415830324 489556408 /nfs/dbraw/zinc/55/64/08/489556408.db2.gz DNUPMRWFPDKIGF-RHSMWYFYSA-N 2 2 359.474 0.178 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000555656411 491262704 /nfs/dbraw/zinc/26/27/04/491262704.db2.gz RZLFBGJIKKENCD-GJZGRUSLSA-N 2 2 350.463 0.797 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000555656411 491262707 /nfs/dbraw/zinc/26/27/07/491262707.db2.gz RZLFBGJIKKENCD-GJZGRUSLSA-N 2 2 350.463 0.797 20 0 FCADLP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415861756 489560701 /nfs/dbraw/zinc/56/07/01/489560701.db2.gz JRYSHRJAWBUGTJ-AWEZNQCLSA-N 2 2 371.441 0.806 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCO1 ZINC000426371159 489564400 /nfs/dbraw/zinc/56/44/00/489564400.db2.gz JORJRULLVWWLSU-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCO1 ZINC000426371159 489564402 /nfs/dbraw/zinc/56/44/02/489564402.db2.gz JORJRULLVWWLSU-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000426371159 489564403 /nfs/dbraw/zinc/56/44/03/489564403.db2.gz JORJRULLVWWLSU-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP CC[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000426371159 489564405 /nfs/dbraw/zinc/56/44/05/489564405.db2.gz JORJRULLVWWLSU-IAGOWNOFSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H](NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[C@H](C)[NH+]1CCOCC1 ZINC000415958275 489566124 /nfs/dbraw/zinc/56/61/24/489566124.db2.gz WRGLIGQFRWAIIY-KGLIPLIRSA-N 2 2 363.466 0.117 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416003526 489567316 /nfs/dbraw/zinc/56/73/16/489567316.db2.gz GZZSJKUMPHASIP-PWSUYJOCSA-N 2 2 365.400 0.260 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)[N@H+]1C ZINC000454371779 489569166 /nfs/dbraw/zinc/56/91/66/489569166.db2.gz QINUMJLXWVIGOO-UXLLHSPISA-N 2 2 356.536 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H](C)[N@@H+]1C ZINC000454371779 489569168 /nfs/dbraw/zinc/56/91/68/489569168.db2.gz QINUMJLXWVIGOO-UXLLHSPISA-N 2 2 356.536 0.928 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C[C@@H]21 ZINC000454385198 489569228 /nfs/dbraw/zinc/56/92/28/489569228.db2.gz WRBVGBNOBLVXIE-HLLBOEOZSA-N 2 2 354.520 0.540 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C[C@@H]21 ZINC000454385198 489569230 /nfs/dbraw/zinc/56/92/30/489569230.db2.gz WRBVGBNOBLVXIE-HLLBOEOZSA-N 2 2 354.520 0.540 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668192 491263982 /nfs/dbraw/zinc/26/39/82/491263982.db2.gz QQEAQMCAEZXYMK-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555668192 491263985 /nfs/dbraw/zinc/26/39/85/491263985.db2.gz QQEAQMCAEZXYMK-CVEARBPZSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000555667777 491264131 /nfs/dbraw/zinc/26/41/31/491264131.db2.gz KXUYTTSSGILLTJ-UHFFFAOYSA-N 2 2 354.495 0.206 20 0 FCADLP O=C(CCNC(=O)[C@@H]1CCCCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372411233 489581381 /nfs/dbraw/zinc/58/13/81/489581381.db2.gz FDFOYBFICCLGEW-INIZCTEOSA-N 2 2 359.474 0.769 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCCCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372411234 489581430 /nfs/dbraw/zinc/58/14/30/489581430.db2.gz FDFOYBFICCLGEW-MRXNPFEDSA-N 2 2 359.474 0.769 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000372531281 489595515 /nfs/dbraw/zinc/59/55/15/489595515.db2.gz DWSMBOHSCSTPEF-MRXNPFEDSA-N 2 2 357.414 0.130 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000372531281 489595518 /nfs/dbraw/zinc/59/55/18/489595518.db2.gz DWSMBOHSCSTPEF-MRXNPFEDSA-N 2 2 357.414 0.130 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]CC1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000427282461 489600798 /nfs/dbraw/zinc/60/07/98/489600798.db2.gz UBVXINATQRONOX-INIZCTEOSA-N 2 2 350.507 0.827 20 0 FCADLP CC(C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[NH+]1CCOCC1 ZINC000372575086 489602465 /nfs/dbraw/zinc/60/24/65/489602465.db2.gz VUQZHCKKYJPBJZ-YIOZNXECSA-N 2 2 353.507 0.992 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032075 489633764 /nfs/dbraw/zinc/63/37/64/489633764.db2.gz MSEXHTMJRGHJKG-GXTWGEPZSA-N 2 2 360.414 0.790 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000428032075 489633767 /nfs/dbraw/zinc/63/37/67/489633767.db2.gz MSEXHTMJRGHJKG-GXTWGEPZSA-N 2 2 360.414 0.790 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000555722813 491267939 /nfs/dbraw/zinc/26/79/39/491267939.db2.gz QAVHIAXEIYCRED-SFHVURJKSA-N 2 2 369.469 0.952 20 0 FCADLP CC[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000555722813 491267942 /nfs/dbraw/zinc/26/79/42/491267942.db2.gz QAVHIAXEIYCRED-SFHVURJKSA-N 2 2 369.469 0.952 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417083997 489640733 /nfs/dbraw/zinc/64/07/33/489640733.db2.gz VGTKNLVKTIJCOX-OAHLLOKOSA-N 2 2 360.462 0.489 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417189260 489644614 /nfs/dbraw/zinc/64/46/14/489644614.db2.gz YKQAZPCIRSTURS-SFHVURJKSA-N 2 2 364.490 0.904 20 0 FCADLP Cc1ccc([C@@H](CNC(=O)N(CC[NH3+])CCO)[NH+]2CCOCC2)cc1 ZINC000417181186 489644660 /nfs/dbraw/zinc/64/46/60/489644660.db2.gz PEWSRZVRTAIBJF-QGZVFWFLSA-N 2 2 350.463 0.331 20 0 FCADLP C[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@H]1C[NH3+] ZINC000417256663 489645756 /nfs/dbraw/zinc/64/57/56/489645756.db2.gz GRXFWZHHFAPHRV-INMHGKMJSA-N 2 2 356.536 0.821 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417304767 489647510 /nfs/dbraw/zinc/64/75/10/489647510.db2.gz ZXBVFYZWNOXFIO-UHFFFAOYSA-N 2 2 372.416 0.791 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000428482007 489649415 /nfs/dbraw/zinc/64/94/15/489649415.db2.gz OAWUVVZBJZCOCE-UHFFFAOYSA-N 2 2 362.478 0.571 20 0 FCADLP [NH3+][C@H]1CCCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417368397 489649534 /nfs/dbraw/zinc/64/95/34/489649534.db2.gz OMLVHEQPLVSVJT-HNNXBMFYSA-N 2 2 360.462 0.253 20 0 FCADLP [NH3+]C1CCC(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000417372883 489650511 /nfs/dbraw/zinc/65/05/11/489650511.db2.gz ZXXXSYBDMPFARN-UHFFFAOYSA-N 2 2 374.489 0.689 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000428565350 489653749 /nfs/dbraw/zinc/65/37/49/489653749.db2.gz YSZFBXSKOUJDIM-RDJZCZTQSA-N 2 2 354.520 0.929 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000428565350 489653751 /nfs/dbraw/zinc/65/37/51/489653751.db2.gz YSZFBXSKOUJDIM-RDJZCZTQSA-N 2 2 354.520 0.929 20 0 FCADLP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417604722 489659738 /nfs/dbraw/zinc/65/97/38/489659738.db2.gz VGOCVNTTYNWYSO-QZTJIDSGSA-N 2 2 362.474 0.218 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000458316393 489676315 /nfs/dbraw/zinc/67/63/15/489676315.db2.gz RDVMSRYMBOOSIJ-IRXDYDNUSA-N 2 2 369.554 0.811 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000458316393 489676316 /nfs/dbraw/zinc/67/63/16/489676316.db2.gz RDVMSRYMBOOSIJ-IRXDYDNUSA-N 2 2 369.554 0.811 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000458414873 489681614 /nfs/dbraw/zinc/68/16/14/489681614.db2.gz LJZSYQLNWQNOEA-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000458414873 489681618 /nfs/dbraw/zinc/68/16/18/489681618.db2.gz LJZSYQLNWQNOEA-QGZVFWFLSA-N 2 2 369.554 0.670 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000418362306 489693319 /nfs/dbraw/zinc/69/33/19/489693319.db2.gz BDRHPBHBFVJRJV-JKSUJKDBSA-N 2 2 353.511 0.570 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418363890 489693931 /nfs/dbraw/zinc/69/39/31/489693931.db2.gz IRGMOPXWZHQHDL-INIZCTEOSA-N 2 2 353.511 0.572 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418408622 489696618 /nfs/dbraw/zinc/69/66/18/489696618.db2.gz UXMODDPMUOYHGF-FHERZECASA-N 2 2 369.510 0.125 20 0 FCADLP CN1C(=O)N[C@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)C1=O ZINC000563852407 491272581 /nfs/dbraw/zinc/27/25/81/491272581.db2.gz FPYZFXIMRLFOKU-IBGZPJMESA-N 2 2 358.442 0.645 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418594787 489708644 /nfs/dbraw/zinc/70/86/44/489708644.db2.gz NNOJHWVZYHYCTO-XJKSGUPXSA-N 2 2 351.495 0.498 20 0 FCADLP COCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCO[C@@H]1C ZINC000489406565 489710227 /nfs/dbraw/zinc/71/02/27/489710227.db2.gz QBRCVTMNNZVDRU-HZPDHXFCSA-N 2 2 357.495 0.339 20 0 FCADLP COCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCO[C@@H]1C ZINC000489406565 489710231 /nfs/dbraw/zinc/71/02/31/489710231.db2.gz QBRCVTMNNZVDRU-HZPDHXFCSA-N 2 2 357.495 0.339 20 0 FCADLP COCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCO[C@H]1C ZINC000489406569 489710671 /nfs/dbraw/zinc/71/06/71/489710671.db2.gz QBRCVTMNNZVDRU-JKSUJKDBSA-N 2 2 357.495 0.339 20 0 FCADLP COCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCO[C@H]1C ZINC000489406569 489710672 /nfs/dbraw/zinc/71/06/72/489710672.db2.gz QBRCVTMNNZVDRU-JKSUJKDBSA-N 2 2 357.495 0.339 20 0 FCADLP COCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCO[C@@H]1C ZINC000489433865 489711317 /nfs/dbraw/zinc/71/13/17/489711317.db2.gz JJLMVTITMGQNFO-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP COCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CCO[C@@H]1C ZINC000489433865 489711321 /nfs/dbraw/zinc/71/13/21/489711321.db2.gz JJLMVTITMGQNFO-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCO[C@@H]1C ZINC000489433865 489711325 /nfs/dbraw/zinc/71/13/25/489711325.db2.gz JJLMVTITMGQNFO-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP COCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCO[C@@H]1C ZINC000489433865 489711329 /nfs/dbraw/zinc/71/13/29/489711329.db2.gz JJLMVTITMGQNFO-KZNAEPCWSA-N 2 2 371.522 0.585 20 0 FCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000418662589 489716529 /nfs/dbraw/zinc/71/65/29/489716529.db2.gz DIAJOEIWOYUDTM-QAQDUYKDSA-N 2 2 365.522 0.701 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418758313 489723003 /nfs/dbraw/zinc/72/30/03/489723003.db2.gz CMMQAPFCCVKHJT-IAGOWNOFSA-N 2 2 365.522 0.857 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418773120 489724618 /nfs/dbraw/zinc/72/46/18/489724618.db2.gz XLWUFUJCOFBRGV-OTWHNJEPSA-N 2 2 373.501 0.185 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418773120 489724621 /nfs/dbraw/zinc/72/46/21/489724621.db2.gz XLWUFUJCOFBRGV-OTWHNJEPSA-N 2 2 373.501 0.185 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430257186 489727421 /nfs/dbraw/zinc/72/74/21/489727421.db2.gz MQSQNPUTCRTLQU-SFHVURJKSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430257186 489727427 /nfs/dbraw/zinc/72/74/27/489727427.db2.gz MQSQNPUTCRTLQU-SFHVURJKSA-N 2 2 364.515 0.850 20 0 FCADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489769116 489727444 /nfs/dbraw/zinc/72/74/44/489727444.db2.gz OKFBFHMZLUKUNZ-WMLDXEAASA-N 2 2 359.474 0.353 20 0 FCADLP CCCNC(=O)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000430305794 489729867 /nfs/dbraw/zinc/72/98/67/489729867.db2.gz QIFLUGCFMKMQSM-KRWDZBQOSA-N 2 2 357.458 0.834 20 0 FCADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cn(CC(N)=O)nn3)CC2)c1 ZINC000459385354 489730078 /nfs/dbraw/zinc/73/00/78/489730078.db2.gz ICJCEKLTAZRNFM-UHFFFAOYSA-N 2 2 371.489 0.374 20 0 FCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000489822752 489730520 /nfs/dbraw/zinc/73/05/20/489730520.db2.gz DXLBOJNAAUBLKN-QUCCMNQESA-N 2 2 371.529 0.609 20 0 FCADLP CN1CCO[C@H]([C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950944 491278700 /nfs/dbraw/zinc/27/87/00/491278700.db2.gz AQCXCUUAXSIZLF-WMZOPIPTSA-N 2 2 366.893 0.733 20 0 FCADLP C[N@H+]1CCO[C@H]([C@@H](NCC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000563950944 491278704 /nfs/dbraw/zinc/27/87/04/491278704.db2.gz AQCXCUUAXSIZLF-WMZOPIPTSA-N 2 2 366.893 0.733 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489942445 489736288 /nfs/dbraw/zinc/73/62/88/489736288.db2.gz OUJIOTMKNUIAGF-JFIYKMOQSA-N 2 2 358.486 0.994 20 0 FCADLP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000489943577 489736626 /nfs/dbraw/zinc/73/66/26/489736626.db2.gz UFXZKTXEBAJFLE-SFHVURJKSA-N 3 2 372.517 0.100 20 0 FCADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489959955 489737966 /nfs/dbraw/zinc/73/79/66/489737966.db2.gz WTZJHDQWRZOPPP-GDBMZVCRSA-N 2 2 360.458 0.764 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000418824569 489740348 /nfs/dbraw/zinc/74/03/48/489740348.db2.gz ANQFGBJFMVAAFS-INIZCTEOSA-N 2 2 366.506 0.204 20 0 FCADLP CC(C)(CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000418830519 489743495 /nfs/dbraw/zinc/74/34/95/489743495.db2.gz ICEGXFFWOYVFHS-OAHLLOKOSA-N 2 2 354.495 0.237 20 0 FCADLP C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(C)(C)C[NH3+] ZINC000430544960 489744646 /nfs/dbraw/zinc/74/46/46/489744646.db2.gz PKZAMHZYMVYEEF-UHFFFAOYSA-N 2 2 362.883 0.843 20 0 FCADLP C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(C)(C)C[NH3+] ZINC000430544960 489744644 /nfs/dbraw/zinc/74/46/44/489744644.db2.gz PKZAMHZYMVYEEF-UHFFFAOYSA-N 2 2 362.883 0.843 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000418832777 489745477 /nfs/dbraw/zinc/74/54/77/489745477.db2.gz KMMSZPPUWUELFW-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430557569 489745906 /nfs/dbraw/zinc/74/59/06/489745906.db2.gz SQAQFRVCITZWSA-UHFFFAOYSA-N 2 2 350.463 0.975 20 0 FCADLP COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430557569 489745910 /nfs/dbraw/zinc/74/59/10/489745910.db2.gz SQAQFRVCITZWSA-UHFFFAOYSA-N 2 2 350.463 0.975 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418835110 489747253 /nfs/dbraw/zinc/74/72/53/489747253.db2.gz PJUNEAXHJNOSOE-FGTMMUONSA-N 2 2 374.485 0.390 20 0 FCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418835110 489747257 /nfs/dbraw/zinc/74/72/57/489747257.db2.gz PJUNEAXHJNOSOE-FGTMMUONSA-N 2 2 374.485 0.390 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430570295 489747625 /nfs/dbraw/zinc/74/76/25/489747625.db2.gz BRCKYAIIIWQXMJ-UHFFFAOYSA-N 2 2 358.464 0.198 20 0 FCADLP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430570295 489747627 /nfs/dbraw/zinc/74/76/27/489747627.db2.gz BRCKYAIIIWQXMJ-UHFFFAOYSA-N 2 2 358.464 0.198 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000555852221 491276347 /nfs/dbraw/zinc/27/63/47/491276347.db2.gz AHNAPALEFVMUNB-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000555852221 491276348 /nfs/dbraw/zinc/27/63/48/491276348.db2.gz AHNAPALEFVMUNB-IXDOHACOSA-N 2 2 366.506 0.012 20 0 FCADLP [NH3+]CCCOC1CC[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000430587922 489749152 /nfs/dbraw/zinc/74/91/52/489749152.db2.gz BMQGGUQFVUTNSU-UHFFFAOYSA-N 2 2 352.460 0.838 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418839329 489750258 /nfs/dbraw/zinc/75/02/58/489750258.db2.gz WLORQWHOAPYGDK-KURKYZTESA-N 2 2 374.485 0.247 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418839329 489750259 /nfs/dbraw/zinc/75/02/59/489750259.db2.gz WLORQWHOAPYGDK-KURKYZTESA-N 2 2 374.485 0.247 20 0 FCADLP C[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC[NH2+]CC1 ZINC000430606857 489751735 /nfs/dbraw/zinc/75/17/35/489751735.db2.gz WSMDIELOFONXSL-UHFFFAOYSA-N 2 2 350.488 0.716 20 0 FCADLP C[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC[NH2+]CC1 ZINC000430606857 489751738 /nfs/dbraw/zinc/75/17/38/489751738.db2.gz WSMDIELOFONXSL-UHFFFAOYSA-N 2 2 350.488 0.716 20 0 FCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000430608166 489752364 /nfs/dbraw/zinc/75/23/64/489752364.db2.gz DQPQPTAGCOPYKJ-CQSZACIVSA-N 2 2 366.487 0.833 20 0 FCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000430608166 489752367 /nfs/dbraw/zinc/75/23/67/489752367.db2.gz DQPQPTAGCOPYKJ-CQSZACIVSA-N 2 2 366.487 0.833 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418846719 489754266 /nfs/dbraw/zinc/75/42/66/489754266.db2.gz SPEXFCHUTLNABT-UKRRQHHQSA-N 2 2 371.441 0.718 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000418849286 489755622 /nfs/dbraw/zinc/75/56/22/489755622.db2.gz CYRSJXCPPXKVJJ-LSDHHAIUSA-N 2 2 352.866 0.912 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)[nH+]c2c1 ZINC000418852049 489756931 /nfs/dbraw/zinc/75/69/31/489756931.db2.gz ULDKZEMMPUUSJL-IMJJTQAJSA-N 2 2 355.442 0.845 20 0 FCADLP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430626227 489757096 /nfs/dbraw/zinc/75/70/96/489757096.db2.gz LCUFCZVNWIRTKN-HXUWFJFHSA-N 2 2 358.486 0.926 20 0 FCADLP Cc1ccc([C@@H](NC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000430626227 489757099 /nfs/dbraw/zinc/75/70/99/489757099.db2.gz LCUFCZVNWIRTKN-HXUWFJFHSA-N 2 2 358.486 0.926 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000430628832 489758221 /nfs/dbraw/zinc/75/82/21/489758221.db2.gz VPGMFLBMEXOBHV-AWEZNQCLSA-N 2 2 350.438 0.966 20 0 FCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000430628832 489758225 /nfs/dbraw/zinc/75/82/25/489758225.db2.gz VPGMFLBMEXOBHV-AWEZNQCLSA-N 2 2 350.438 0.966 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430631301 489758927 /nfs/dbraw/zinc/75/89/27/489758927.db2.gz ULHBJXMTPMDDAF-INIZCTEOSA-N 2 2 362.474 0.242 20 0 FCADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000430631301 489758930 /nfs/dbraw/zinc/75/89/30/489758930.db2.gz ULHBJXMTPMDDAF-INIZCTEOSA-N 2 2 362.474 0.242 20 0 FCADLP CN(C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000430637890 489760863 /nfs/dbraw/zinc/76/08/63/489760863.db2.gz DJEXCJZKGJQOKH-GOSISDBHSA-N 2 2 358.486 0.886 20 0 FCADLP CN(C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000430637890 489760866 /nfs/dbraw/zinc/76/08/66/489760866.db2.gz DJEXCJZKGJQOKH-GOSISDBHSA-N 2 2 358.486 0.886 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459824452 489760857 /nfs/dbraw/zinc/76/08/57/489760857.db2.gz FCXMJTLYVYTLKP-HZPDHXFCSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459824452 489760861 /nfs/dbraw/zinc/76/08/61/489760861.db2.gz FCXMJTLYVYTLKP-HZPDHXFCSA-N 2 2 352.523 0.975 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000430647960 489761911 /nfs/dbraw/zinc/76/19/11/489761911.db2.gz QSGQEXBUZWHCLR-ZDUSSCGKSA-N 2 2 351.447 0.999 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000430647960 489761915 /nfs/dbraw/zinc/76/19/15/489761915.db2.gz QSGQEXBUZWHCLR-ZDUSSCGKSA-N 2 2 351.447 0.999 20 0 FCADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430663479 489763039 /nfs/dbraw/zinc/76/30/39/489763039.db2.gz JTDKNYRINYKBAK-CQSZACIVSA-N 2 2 350.438 0.709 20 0 FCADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430663479 489763041 /nfs/dbraw/zinc/76/30/41/489763041.db2.gz JTDKNYRINYKBAK-CQSZACIVSA-N 2 2 350.438 0.709 20 0 FCADLP [NH3+]C[C@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccccc1 ZINC000430723101 489766837 /nfs/dbraw/zinc/76/68/37/489766837.db2.gz IHNBNOIHBFWMBM-SFHVURJKSA-N 2 2 358.486 0.789 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000430734582 489767855 /nfs/dbraw/zinc/76/78/55/489767855.db2.gz WENMTFMHILVFKG-QGZVFWFLSA-N 2 2 355.442 0.868 20 0 FCADLP COCC[C@]1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000430750395 489768937 /nfs/dbraw/zinc/76/89/37/489768937.db2.gz ZOCYUDDXJHGOAA-LJQANCHMSA-N 2 2 366.506 0.159 20 0 FCADLP COCC[C@]1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000430750395 489768940 /nfs/dbraw/zinc/76/89/40/489768940.db2.gz ZOCYUDDXJHGOAA-LJQANCHMSA-N 2 2 366.506 0.159 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430744987 489769044 /nfs/dbraw/zinc/76/90/44/489769044.db2.gz XEHLRUBGMBLBDN-SQNIBIBYSA-N 2 2 362.518 0.968 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[NH2+]1 ZINC000418882232 489773842 /nfs/dbraw/zinc/77/38/42/489773842.db2.gz YLBFKBODLDQEET-WFASDCNBSA-N 2 2 352.866 0.879 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000459874736 489776988 /nfs/dbraw/zinc/77/69/88/489776988.db2.gz LCNLZAVIUOLINE-GOSISDBHSA-N 2 2 356.470 0.808 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000459874736 489776992 /nfs/dbraw/zinc/77/69/92/489776992.db2.gz LCNLZAVIUOLINE-GOSISDBHSA-N 2 2 356.470 0.808 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430927931 489778836 /nfs/dbraw/zinc/77/88/36/489778836.db2.gz SAPZUMASFIEDPX-YNEHKIRRSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430927931 489778842 /nfs/dbraw/zinc/77/88/42/489778842.db2.gz SAPZUMASFIEDPX-YNEHKIRRSA-N 2 2 354.476 0.720 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933541 489779882 /nfs/dbraw/zinc/77/98/82/489779882.db2.gz IPEFCPDFPJEEBL-ZJUUUORDSA-N 2 2 358.364 0.828 20 0 FCADLP C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933541 489779884 /nfs/dbraw/zinc/77/98/84/489779884.db2.gz IPEFCPDFPJEEBL-ZJUUUORDSA-N 2 2 358.364 0.828 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430952117 489780652 /nfs/dbraw/zinc/78/06/52/489780652.db2.gz OLOKJAPXGOTHGN-AWEZNQCLSA-N 2 2 350.488 0.574 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000430952117 489780655 /nfs/dbraw/zinc/78/06/55/489780655.db2.gz OLOKJAPXGOTHGN-AWEZNQCLSA-N 2 2 350.488 0.574 20 0 FCADLP Cc1ccc(CCC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c[nH+]1 ZINC000474708004 489781912 /nfs/dbraw/zinc/78/19/12/489781912.db2.gz LEVIRLMPYZRXCU-DLBZAZTESA-N 2 2 353.488 0.410 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000430957165 489782477 /nfs/dbraw/zinc/78/24/77/489782477.db2.gz RBBMJILWKUCAKX-DZKIICNBSA-N 2 2 359.536 0.860 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459895454 489783973 /nfs/dbraw/zinc/78/39/73/489783973.db2.gz DGMOQMDVINVZCJ-CALCHBBNSA-N 2 2 370.538 0.600 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459895454 489783976 /nfs/dbraw/zinc/78/39/76/489783976.db2.gz DGMOQMDVINVZCJ-CALCHBBNSA-N 2 2 370.538 0.600 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000431034034 489786114 /nfs/dbraw/zinc/78/61/14/489786114.db2.gz SQQBARXNXRZGFW-JKSUJKDBSA-N 2 2 371.547 0.876 20 0 FCADLP CCCN(C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000431034032 489786269 /nfs/dbraw/zinc/78/62/69/489786269.db2.gz SQQBARXNXRZGFW-HOTGVXAUSA-N 2 2 371.547 0.876 20 0 FCADLP COCC[C@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]C1 ZINC000431051528 489786292 /nfs/dbraw/zinc/78/62/92/489786292.db2.gz PJTATFOHANSXLA-IAGOWNOFSA-N 2 2 357.520 0.327 20 0 FCADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000431057499 489786902 /nfs/dbraw/zinc/78/69/02/489786902.db2.gz IEFMDCFYWPKXRC-UHFFFAOYSA-N 2 2 351.447 0.414 20 0 FCADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000431057499 489786907 /nfs/dbraw/zinc/78/69/07/489786907.db2.gz IEFMDCFYWPKXRC-UHFFFAOYSA-N 2 2 351.447 0.414 20 0 FCADLP COCC[C@@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]C1 ZINC000431051530 489787006 /nfs/dbraw/zinc/78/70/06/489787006.db2.gz PJTATFOHANSXLA-IRXDYDNUSA-N 2 2 357.520 0.327 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431083707 489787218 /nfs/dbraw/zinc/78/72/18/489787218.db2.gz DGFAHORNJMMPFE-AWEZNQCLSA-N 2 2 364.494 0.782 20 0 FCADLP CC(C)([NH3+])c1noc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000431084366 489788033 /nfs/dbraw/zinc/78/80/33/489788033.db2.gz OCHYTPKPVDQRCO-UHFFFAOYSA-N 2 2 350.467 0.394 20 0 FCADLP CC(C)([NH3+])c1noc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000431084366 489788036 /nfs/dbraw/zinc/78/80/36/489788036.db2.gz OCHYTPKPVDQRCO-UHFFFAOYSA-N 2 2 350.467 0.394 20 0 FCADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916152 489790456 /nfs/dbraw/zinc/79/04/56/489790456.db2.gz WHXUQSQXRZGMME-DAXOMENPSA-N 2 2 366.412 0.776 20 0 FCADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000418916152 489790460 /nfs/dbraw/zinc/79/04/60/489790460.db2.gz WHXUQSQXRZGMME-DAXOMENPSA-N 2 2 366.412 0.776 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000459916193 489790809 /nfs/dbraw/zinc/79/08/09/489790809.db2.gz ICEQFCGCTZZNRU-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000490995011 489792267 /nfs/dbraw/zinc/79/22/67/489792267.db2.gz MYBKZPGQBKHPJZ-PKOBYXMFSA-N 3 2 365.566 0.545 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000490995011 489792268 /nfs/dbraw/zinc/79/22/68/489792268.db2.gz MYBKZPGQBKHPJZ-PKOBYXMFSA-N 3 2 365.566 0.545 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418935030 489796095 /nfs/dbraw/zinc/79/60/95/489796095.db2.gz CNLZTJQHJZRBBL-ZFWWWQNUSA-N 2 2 364.515 0.951 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418935030 489796100 /nfs/dbraw/zinc/79/61/00/489796100.db2.gz CNLZTJQHJZRBBL-ZFWWWQNUSA-N 2 2 364.515 0.951 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000418940304 489797448 /nfs/dbraw/zinc/79/74/48/489797448.db2.gz ITNDXWSONBKDAR-OCCSQVGLSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000418940304 489797453 /nfs/dbraw/zinc/79/74/53/489797453.db2.gz ITNDXWSONBKDAR-OCCSQVGLSA-N 2 2 350.488 0.418 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418945619 489799838 /nfs/dbraw/zinc/79/98/38/489799838.db2.gz QBCDLXDBRLEDDH-CQSZACIVSA-N 2 2 364.515 0.728 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418945619 489799840 /nfs/dbraw/zinc/79/98/40/489799840.db2.gz QBCDLXDBRLEDDH-CQSZACIVSA-N 2 2 364.515 0.728 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418948400 489800748 /nfs/dbraw/zinc/80/07/48/489800748.db2.gz UBKUBGPTSFGQDK-UKRRQHHQSA-N 2 2 362.499 0.290 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418948400 489800751 /nfs/dbraw/zinc/80/07/51/489800751.db2.gz UBKUBGPTSFGQDK-UKRRQHHQSA-N 2 2 362.499 0.290 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000418948937 489801345 /nfs/dbraw/zinc/80/13/45/489801345.db2.gz UIDKPUZMYLZIJE-CYBMUJFWSA-N 2 2 364.515 0.808 20 0 FCADLP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000418948937 489801349 /nfs/dbraw/zinc/80/13/49/489801349.db2.gz UIDKPUZMYLZIJE-CYBMUJFWSA-N 2 2 364.515 0.808 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418950560 489801470 /nfs/dbraw/zinc/80/14/70/489801470.db2.gz WDYGQYBUENJBPC-CABCVRRESA-N 2 2 362.499 0.575 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418950560 489801472 /nfs/dbraw/zinc/80/14/72/489801472.db2.gz WDYGQYBUENJBPC-CABCVRRESA-N 2 2 362.499 0.575 20 0 FCADLP C[N@@H+](CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000491837684 489812545 /nfs/dbraw/zinc/81/25/45/489812545.db2.gz MZXZZZQXPSLAMD-UHFFFAOYSA-N 2 2 374.489 0.514 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000418996540 489813166 /nfs/dbraw/zinc/81/31/66/489813166.db2.gz NROIHSPNICCHQW-UHFFFAOYSA-N 2 2 357.458 0.919 20 0 FCADLP COc1cc[nH+]cc1CNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000431610830 489813442 /nfs/dbraw/zinc/81/34/42/489813442.db2.gz SBPPZMSFQDRRAW-UHFFFAOYSA-N 2 2 367.475 0.944 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000491952374 489815059 /nfs/dbraw/zinc/81/50/59/489815059.db2.gz BBECLPGNEGUTHO-IAGOWNOFSA-N 2 2 368.522 0.327 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000491952374 489815063 /nfs/dbraw/zinc/81/50/63/489815063.db2.gz BBECLPGNEGUTHO-IAGOWNOFSA-N 2 2 368.522 0.327 20 0 FCADLP COC(=O)CN1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000475306961 489819356 /nfs/dbraw/zinc/81/93/56/489819356.db2.gz WVBPCCIBCDSWEX-KRWDZBQOSA-N 2 2 362.474 0.196 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419019883 489820353 /nfs/dbraw/zinc/82/03/53/489820353.db2.gz FCJUWTBFSVUNIL-CQSZACIVSA-N 2 2 359.405 0.886 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419023105 489821353 /nfs/dbraw/zinc/82/13/53/489821353.db2.gz JCTJAUBUQVCUCE-AWEZNQCLSA-N 2 2 359.405 0.838 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000460025646 489822990 /nfs/dbraw/zinc/82/29/90/489822990.db2.gz UAKZLMHISKPCSU-MRXNPFEDSA-N 2 2 374.489 0.141 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H](C)[NH2+]1 ZINC000419034463 489827291 /nfs/dbraw/zinc/82/72/91/489827291.db2.gz ZPRUSTMPYKXXOU-STQMWFEESA-N 2 2 359.405 0.836 20 0 FCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419040077 489830001 /nfs/dbraw/zinc/83/00/01/489830001.db2.gz LSIGUJCQHJPJIH-HOTGVXAUSA-N 2 2 353.426 0.556 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000460051774 489834178 /nfs/dbraw/zinc/83/41/78/489834178.db2.gz LHSUEDBCOCHYIA-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000460051774 489834183 /nfs/dbraw/zinc/83/41/83/489834183.db2.gz LHSUEDBCOCHYIA-MRXNPFEDSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)[NH+]1CCN(C)CC1 ZINC000492686258 489834791 /nfs/dbraw/zinc/83/47/91/489834791.db2.gz YMYHHYSQVYEVCY-GBESFXJTSA-N 2 2 365.566 0.639 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000555907376 491282151 /nfs/dbraw/zinc/28/21/51/491282151.db2.gz CCJYRCVUNNKXQQ-KRWDZBQOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)CCCO1 ZINC000432310649 489836999 /nfs/dbraw/zinc/83/69/99/489836999.db2.gz JDMPRUMLTDBBCE-MRXNPFEDSA-N 2 2 363.524 0.129 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)CCCO1 ZINC000432310649 489837001 /nfs/dbraw/zinc/83/70/01/489837001.db2.gz JDMPRUMLTDBBCE-MRXNPFEDSA-N 2 2 363.524 0.129 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1CC[NH2+]CC1 ZINC000571044915 491282363 /nfs/dbraw/zinc/28/23/63/491282363.db2.gz LSSCNDDFZPSXBR-UHFFFAOYSA-N 2 2 359.474 0.626 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000563993596 491282482 /nfs/dbraw/zinc/28/24/82/491282482.db2.gz AIYMQTMITIMYAC-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419066476 489842402 /nfs/dbraw/zinc/84/24/02/489842402.db2.gz FALZOZBRURCDDZ-CVEARBPZSA-N 2 2 374.485 0.344 20 0 FCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419066476 489842405 /nfs/dbraw/zinc/84/24/05/489842405.db2.gz FALZOZBRURCDDZ-CVEARBPZSA-N 2 2 374.485 0.344 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000460075983 489843607 /nfs/dbraw/zinc/84/36/07/489843607.db2.gz MOZYRXNRTZNMGA-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000460079898 489845962 /nfs/dbraw/zinc/84/59/62/489845962.db2.gz PSTXBOYNZQMQJK-CVEARBPZSA-N 2 2 374.489 0.312 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000460079898 489845965 /nfs/dbraw/zinc/84/59/65/489845965.db2.gz PSTXBOYNZQMQJK-CVEARBPZSA-N 2 2 374.489 0.312 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419109262 489857392 /nfs/dbraw/zinc/85/73/92/489857392.db2.gz ARJXJZSSCAPJHW-CVEARBPZSA-N 2 2 354.495 0.047 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCCS1(=O)=O ZINC000475912960 489857469 /nfs/dbraw/zinc/85/74/69/489857469.db2.gz UHPICYKKGBAWEB-HZPDHXFCSA-N 2 2 359.536 0.828 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCCS1(=O)=O ZINC000475912960 489857472 /nfs/dbraw/zinc/85/74/72/489857472.db2.gz UHPICYKKGBAWEB-HZPDHXFCSA-N 2 2 359.536 0.828 20 0 FCADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000419110523 489858594 /nfs/dbraw/zinc/85/85/94/489858594.db2.gz BXOCBLRFDAZABE-HOTGVXAUSA-N 2 2 356.511 0.339 20 0 FCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000419111348 489859717 /nfs/dbraw/zinc/85/97/17/489859717.db2.gz IWSNIPYMQRPXHX-HNNXBMFYSA-N 2 2 357.458 0.887 20 0 FCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419111579 489859839 /nfs/dbraw/zinc/85/98/39/489859839.db2.gz DRLAZYVKQRXYEC-NWDGAFQWSA-N 2 2 361.833 0.672 20 0 FCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165908 489862243 /nfs/dbraw/zinc/86/22/43/489862243.db2.gz SWWRCAXZXDLNBY-IAGOWNOFSA-N 2 2 368.522 0.008 20 0 FCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000377165908 489862246 /nfs/dbraw/zinc/86/22/46/489862246.db2.gz SWWRCAXZXDLNBY-IAGOWNOFSA-N 2 2 368.522 0.008 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419117615 489862416 /nfs/dbraw/zinc/86/24/16/489862416.db2.gz MKSHEQHGPUKBLQ-PMPSAXMXSA-N 2 2 354.495 0.093 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000419116948 489862843 /nfs/dbraw/zinc/86/28/43/489862843.db2.gz LWGZBADGJDIHEN-SJORKVTESA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000433012915 489863333 /nfs/dbraw/zinc/86/33/33/489863333.db2.gz MFNTYCSGKZRSNJ-UHFFFAOYSA-N 2 2 363.487 0.978 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCOCC1 ZINC000419117993 489863499 /nfs/dbraw/zinc/86/34/99/489863499.db2.gz NAOYSNHCJULSAI-BZUAXINKSA-N 2 2 354.495 0.106 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000419119829 489864394 /nfs/dbraw/zinc/86/43/94/489864394.db2.gz PJWFZIIXBQPNRF-GDBMZVCRSA-N 2 2 359.474 0.741 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433166137 489869918 /nfs/dbraw/zinc/86/99/18/489869918.db2.gz DYARIWABPGTYIS-OAHLLOKOSA-N 3 2 365.522 0.001 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000419984068 489872910 /nfs/dbraw/zinc/87/29/10/489872910.db2.gz VMPZJYTURBGHME-KBPBESRZSA-N 2 2 352.504 0.925 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206680 489875399 /nfs/dbraw/zinc/87/53/99/489875399.db2.gz YTFAQYAMTUXKRA-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC000494206680 489875403 /nfs/dbraw/zinc/87/54/03/489875403.db2.gz YTFAQYAMTUXKRA-IAGOWNOFSA-N 2 2 356.511 0.753 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433334979 489876381 /nfs/dbraw/zinc/87/63/81/489876381.db2.gz JQIIVYMRRSPVPL-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433334979 489876384 /nfs/dbraw/zinc/87/63/84/489876384.db2.gz JQIIVYMRRSPVPL-DLBZAZTESA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420003529 489877938 /nfs/dbraw/zinc/87/79/38/489877938.db2.gz SZESHUVZRWKJGT-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420003529 489877941 /nfs/dbraw/zinc/87/79/41/489877941.db2.gz SZESHUVZRWKJGT-WMZOPIPTSA-N 2 2 358.486 0.978 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000420012596 489880922 /nfs/dbraw/zinc/88/09/22/489880922.db2.gz BHJBLVDSAJLTHD-ZNMIVQPWSA-N 2 2 362.478 0.249 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000420021784 489883504 /nfs/dbraw/zinc/88/35/04/489883504.db2.gz IMSVGSHJDMPCGI-LSDHHAIUSA-N 2 2 362.474 0.581 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000420021784 489883506 /nfs/dbraw/zinc/88/35/06/489883506.db2.gz IMSVGSHJDMPCGI-LSDHHAIUSA-N 2 2 362.474 0.581 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420056666 489896438 /nfs/dbraw/zinc/89/64/38/489896438.db2.gz HMCORZODWDPWDD-IUODEOHRSA-N 2 2 350.488 0.807 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000420080566 489905601 /nfs/dbraw/zinc/90/56/01/489905601.db2.gz KXLPUOWHWGCWJG-CQSZACIVSA-N 2 2 362.478 0.143 20 0 FCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000420080566 489905606 /nfs/dbraw/zinc/90/56/06/489905606.db2.gz KXLPUOWHWGCWJG-CQSZACIVSA-N 2 2 362.478 0.143 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000433996170 489909541 /nfs/dbraw/zinc/90/95/41/489909541.db2.gz YHUUSMVKRXXWJK-IRXDYDNUSA-N 2 2 356.511 0.705 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000433996170 489909546 /nfs/dbraw/zinc/90/95/46/489909546.db2.gz YHUUSMVKRXXWJK-IRXDYDNUSA-N 2 2 356.511 0.705 20 0 FCADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1nncn1C ZINC000494786010 489913073 /nfs/dbraw/zinc/91/30/73/489913073.db2.gz CTYPYGXZMNDCRR-AWEZNQCLSA-N 2 2 358.446 0.937 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000420104724 489914129 /nfs/dbraw/zinc/91/41/29/489914129.db2.gz RJZVBVITCPMNIO-HNTCUJBNSA-N 2 2 370.497 0.958 20 0 FCADLP CC1(CNC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000420119542 489919134 /nfs/dbraw/zinc/91/91/34/489919134.db2.gz KZTWJQLKVLZZTQ-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@@H+]1CCOC ZINC000434462248 489930624 /nfs/dbraw/zinc/93/06/24/489930624.db2.gz CXSVGUPGPPJZCH-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CCC[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@H+]1CCOC ZINC000434462248 489930628 /nfs/dbraw/zinc/93/06/28/489930628.db2.gz CXSVGUPGPPJZCH-KRWDZBQOSA-N 2 2 368.522 0.994 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420166373 489937703 /nfs/dbraw/zinc/93/77/03/489937703.db2.gz HVWTVUALKKBNTC-OAHLLOKOSA-N 2 2 364.465 0.974 20 0 FCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420166373 489937705 /nfs/dbraw/zinc/93/77/05/489937705.db2.gz HVWTVUALKKBNTC-OAHLLOKOSA-N 2 2 364.465 0.974 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420165807 489937709 /nfs/dbraw/zinc/93/77/09/489937709.db2.gz NLPLKVNVGCQXEX-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CCCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000461868145 489941315 /nfs/dbraw/zinc/94/13/15/489941315.db2.gz ZTZXDZRSKBOMIL-GDBMZVCRSA-N 2 2 359.536 0.875 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420183190 489943365 /nfs/dbraw/zinc/94/33/65/489943365.db2.gz GFJINOADANMSEA-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420183190 489943369 /nfs/dbraw/zinc/94/33/69/489943369.db2.gz GFJINOADANMSEA-SJLPKXTDSA-N 2 2 374.485 0.214 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000420199372 489949467 /nfs/dbraw/zinc/94/94/67/489949467.db2.gz DEFXZQFISUCBCE-DLTWYDFYSA-N 2 2 358.442 0.566 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758146 489953722 /nfs/dbraw/zinc/95/37/22/489953722.db2.gz DKDXBEHZRQXAHH-QZTJIDSGSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758146 489953724 /nfs/dbraw/zinc/95/37/24/489953724.db2.gz DKDXBEHZRQXAHH-QZTJIDSGSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758146 489953728 /nfs/dbraw/zinc/95/37/28/489953728.db2.gz DKDXBEHZRQXAHH-QZTJIDSGSA-N 2 2 356.470 0.399 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCNC(=O)C1 ZINC000377758146 489953731 /nfs/dbraw/zinc/95/37/31/489953731.db2.gz DKDXBEHZRQXAHH-QZTJIDSGSA-N 2 2 356.470 0.399 20 0 FCADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000462062724 489954659 /nfs/dbraw/zinc/95/46/59/489954659.db2.gz YBOIKMQXIVHMSE-INIZCTEOSA-N 2 2 362.499 0.994 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1S(N)(=O)=O ZINC000420295923 489960145 /nfs/dbraw/zinc/96/01/45/489960145.db2.gz WHEVJGFZCWMFPY-AWEZNQCLSA-N 2 2 356.492 0.886 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1S(N)(=O)=O ZINC000420295923 489960148 /nfs/dbraw/zinc/96/01/48/489960148.db2.gz WHEVJGFZCWMFPY-AWEZNQCLSA-N 2 2 356.492 0.886 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1C)CCC2 ZINC000556083458 491293487 /nfs/dbraw/zinc/29/34/87/491293487.db2.gz MVCFUOWTTANWIT-HNNXBMFYSA-N 2 2 358.446 0.897 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(C(=O)OC)c1 ZINC000420308142 489961787 /nfs/dbraw/zinc/96/17/87/489961787.db2.gz CMBYYCLNPLBXOA-VXGBXAGGSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(C(=O)OC)c1 ZINC000420308142 489961789 /nfs/dbraw/zinc/96/17/89/489961789.db2.gz CMBYYCLNPLBXOA-VXGBXAGGSA-N 2 2 363.414 0.867 20 0 FCADLP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420316892 489962753 /nfs/dbraw/zinc/96/27/53/489962753.db2.gz YSWGUSSXEQCKFV-MRXNPFEDSA-N 2 2 361.442 0.748 20 0 FCADLP Cc1c(-c2cc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)on2)cnn1C ZINC000420315653 489962828 /nfs/dbraw/zinc/96/28/28/489962828.db2.gz XBXCCIJEVONXHA-AWEZNQCLSA-N 2 2 358.446 0.780 20 0 FCADLP Cc1c(-c2cc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)on2)cnn1C ZINC000420315653 489962831 /nfs/dbraw/zinc/96/28/31/489962831.db2.gz XBXCCIJEVONXHA-AWEZNQCLSA-N 2 2 358.446 0.780 20 0 FCADLP CCCCn1c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312605 489962866 /nfs/dbraw/zinc/96/28/66/489962866.db2.gz SRHJWCBEXTUPKP-AVGNSLFASA-N 2 2 360.462 0.805 20 0 FCADLP CCCCn1c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312605 489962868 /nfs/dbraw/zinc/96/28/68/489962868.db2.gz SRHJWCBEXTUPKP-AVGNSLFASA-N 2 2 360.462 0.805 20 0 FCADLP C[C@@](O)(CNC(=O)c1cc(C[NH+]2CCCC2)on1)C[NH+]1CCOCC1 ZINC000462195450 489963087 /nfs/dbraw/zinc/96/30/87/489963087.db2.gz ZMGUAPSCJYCUFK-QGZVFWFLSA-N 2 2 352.435 0.083 20 0 FCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346714 489965304 /nfs/dbraw/zinc/96/53/04/489965304.db2.gz DJFNHRMGLPCJRG-CABCVRRESA-N 2 2 367.291 0.955 20 0 FCADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346714 489965305 /nfs/dbraw/zinc/96/53/05/489965305.db2.gz DJFNHRMGLPCJRG-CABCVRRESA-N 2 2 367.291 0.955 20 0 FCADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349351 489966776 /nfs/dbraw/zinc/96/67/76/489966776.db2.gz CPRDJWMSNAXOSB-ZDUSSCGKSA-N 2 2 374.279 0.538 20 0 FCADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349351 489966778 /nfs/dbraw/zinc/96/67/78/489966778.db2.gz CPRDJWMSNAXOSB-ZDUSSCGKSA-N 2 2 374.279 0.538 20 0 FCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000420353439 489967819 /nfs/dbraw/zinc/96/78/19/489967819.db2.gz AMCAXEUJQYSZTK-OXJKWZBOSA-N 2 2 354.476 0.637 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420378566 489969556 /nfs/dbraw/zinc/96/95/56/489969556.db2.gz MEEMPASEAJESMU-KBPBESRZSA-N 2 2 368.503 0.792 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420378566 489969559 /nfs/dbraw/zinc/96/95/59/489969559.db2.gz MEEMPASEAJESMU-KBPBESRZSA-N 2 2 368.503 0.792 20 0 FCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)CCCO1 ZINC000420387509 489970793 /nfs/dbraw/zinc/97/07/93/489970793.db2.gz KBAPEJXOLBJADB-GOSISDBHSA-N 2 2 357.458 0.597 20 0 FCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)CCCO1 ZINC000420387509 489970795 /nfs/dbraw/zinc/97/07/95/489970795.db2.gz KBAPEJXOLBJADB-GOSISDBHSA-N 2 2 357.458 0.597 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406060 489972131 /nfs/dbraw/zinc/97/21/31/489972131.db2.gz QKGKCEQGQPEUSN-ARFHVFGLSA-N 2 2 352.479 0.938 20 0 FCADLP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420406060 489972136 /nfs/dbraw/zinc/97/21/36/489972136.db2.gz QKGKCEQGQPEUSN-ARFHVFGLSA-N 2 2 352.479 0.938 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420405003 489972170 /nfs/dbraw/zinc/97/21/70/489972170.db2.gz MPTOVKJEBNQYQU-UONOGXRCSA-N 2 2 350.438 0.951 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420405003 489972173 /nfs/dbraw/zinc/97/21/73/489972173.db2.gz MPTOVKJEBNQYQU-UONOGXRCSA-N 2 2 350.438 0.951 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406019 489972815 /nfs/dbraw/zinc/97/28/15/489972815.db2.gz NHNOMBSCOICDQI-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406019 489972818 /nfs/dbraw/zinc/97/28/18/489972818.db2.gz NHNOMBSCOICDQI-UPJWGTAASA-N 2 2 354.476 0.578 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911089 489977656 /nfs/dbraw/zinc/97/76/56/489977656.db2.gz MKKXUPZQHMMTNP-ZWKOTPCHSA-N 2 2 374.533 0.934 20 0 FCADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000377911089 489977661 /nfs/dbraw/zinc/97/76/61/489977661.db2.gz MKKXUPZQHMMTNP-ZWKOTPCHSA-N 2 2 374.533 0.934 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420448833 489979358 /nfs/dbraw/zinc/97/93/58/489979358.db2.gz WZXPTSIYXWDVKX-OAHLLOKOSA-N 2 2 361.487 0.384 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477826936 489992684 /nfs/dbraw/zinc/99/26/84/489992684.db2.gz PCLIKHSRGHERDB-ARFHVFGLSA-N 2 2 356.511 0.582 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435391912 490000336 /nfs/dbraw/zinc/00/03/36/490000336.db2.gz YNWPNEZSPDZWKM-UHFFFAOYSA-N 2 2 374.485 0.551 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435391912 490000337 /nfs/dbraw/zinc/00/03/37/490000337.db2.gz YNWPNEZSPDZWKM-UHFFFAOYSA-N 2 2 374.485 0.551 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371768 490000496 /nfs/dbraw/zinc/00/04/96/490000496.db2.gz OMGFEEQTXABUHU-HUUCEWRRSA-N 2 2 353.488 0.877 20 0 FCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000435371768 490000499 /nfs/dbraw/zinc/00/04/99/490000499.db2.gz OMGFEEQTXABUHU-HUUCEWRRSA-N 2 2 353.488 0.877 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3COc4ccccc4[C@@H]3O)C2)CC1 ZINC000378096856 490009331 /nfs/dbraw/zinc/00/93/31/490009331.db2.gz SPVALHSTPPPFHB-YJLNNSPDSA-N 2 2 374.485 0.949 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3COc4ccccc4[C@@H]3O)C2)CC1 ZINC000378096856 490009336 /nfs/dbraw/zinc/00/93/36/490009336.db2.gz SPVALHSTPPPFHB-YJLNNSPDSA-N 2 2 374.485 0.949 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000463353343 490012495 /nfs/dbraw/zinc/01/24/95/490012495.db2.gz UCXHJUPVNFPDFZ-IYBDPMFKSA-N 2 2 363.524 0.127 20 0 FCADLP C[C@@H]1C[N@H+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000463353343 490012497 /nfs/dbraw/zinc/01/24/97/490012497.db2.gz UCXHJUPVNFPDFZ-IYBDPMFKSA-N 2 2 363.524 0.127 20 0 FCADLP C[C@@H]1C[C@@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1Cc1ccccc1 ZINC000564208211 491294152 /nfs/dbraw/zinc/29/41/52/491294152.db2.gz ZKZUNNDIISTVCJ-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[C@@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1Cc1ccccc1 ZINC000564208211 491294153 /nfs/dbraw/zinc/29/41/53/491294153.db2.gz ZKZUNNDIISTVCJ-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463418215 490016267 /nfs/dbraw/zinc/01/62/67/490016267.db2.gz FIJMOJOFZOTTKX-KRWDZBQOSA-N 2 2 359.536 0.702 20 0 FCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463418215 490016272 /nfs/dbraw/zinc/01/62/72/490016272.db2.gz FIJMOJOFZOTTKX-KRWDZBQOSA-N 2 2 359.536 0.702 20 0 FCADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@@H+]1C ZINC000437090940 490019318 /nfs/dbraw/zinc/01/93/18/490019318.db2.gz JCJTWIJCIOAJGY-WCQYABFASA-N 2 2 372.457 0.920 20 0 FCADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC[N@H+]1C ZINC000437090940 490019320 /nfs/dbraw/zinc/01/93/20/490019320.db2.gz JCJTWIJCIOAJGY-WCQYABFASA-N 2 2 372.457 0.920 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000437946415 490028776 /nfs/dbraw/zinc/02/87/76/490028776.db2.gz HTLSBVPXLLPJOC-UXHICEINSA-N 2 2 372.513 0.736 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000437946415 490028779 /nfs/dbraw/zinc/02/87/79/490028779.db2.gz HTLSBVPXLLPJOC-UXHICEINSA-N 2 2 372.513 0.736 20 0 FCADLP CCNC(=O)CN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420903544 490030576 /nfs/dbraw/zinc/03/05/76/490030576.db2.gz OKOBVJGYDMWWBT-UHFFFAOYSA-N 2 2 360.502 0.773 20 0 FCADLP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCN1S(C)(=O)=O ZINC000420937450 490033621 /nfs/dbraw/zinc/03/36/21/490033621.db2.gz LMGKHOYVBKWDFQ-INIZCTEOSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCN1S(C)(=O)=O ZINC000420937450 490033626 /nfs/dbraw/zinc/03/36/26/490033626.db2.gz LMGKHOYVBKWDFQ-INIZCTEOSA-N 2 2 367.515 0.985 20 0 FCADLP CNS(=O)(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420970245 490035406 /nfs/dbraw/zinc/03/54/06/490035406.db2.gz ZSRUSBKMDSEXIB-UHFFFAOYSA-N 2 2 368.503 0.101 20 0 FCADLP C[NH+](C)CC1(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC1 ZINC000439583653 490042370 /nfs/dbraw/zinc/04/23/70/490042370.db2.gz AGPOECOVHMOPAZ-UHFFFAOYSA-N 2 2 350.467 0.821 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000556109888 491295696 /nfs/dbraw/zinc/29/56/96/491295696.db2.gz MVKITQQAMRNLRF-OAGGEKHMSA-N 2 2 354.495 0.155 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000556109888 491295697 /nfs/dbraw/zinc/29/56/97/491295697.db2.gz MVKITQQAMRNLRF-OAGGEKHMSA-N 2 2 354.495 0.155 20 0 FCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478878293 490047465 /nfs/dbraw/zinc/04/74/65/490047465.db2.gz YWCMUALWYWDRRI-QGZVFWFLSA-N 2 2 358.442 0.827 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@@H]3CCC[N@H+]3C[C@@H]1C)CCC2 ZINC000564247762 491296320 /nfs/dbraw/zinc/29/63/20/491296320.db2.gz JJSWVEQXEDTMPQ-JYJNAYRXSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N1C[C@@H]3CCC[N@@H+]3C[C@@H]1C)CCC2 ZINC000564247762 491296323 /nfs/dbraw/zinc/29/63/23/491296323.db2.gz JJSWVEQXEDTMPQ-JYJNAYRXSA-N 2 2 359.474 0.880 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000479013695 490061453 /nfs/dbraw/zinc/06/14/53/490061453.db2.gz QMXHDRBFFGHGSO-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000479013695 490061457 /nfs/dbraw/zinc/06/14/57/490061457.db2.gz QMXHDRBFFGHGSO-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000479072641 490064912 /nfs/dbraw/zinc/06/49/12/490064912.db2.gz VIWDGMQSQIBYNG-SFHVURJKSA-N 2 2 353.470 0.980 20 0 FCADLP CCCCN(C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059290 490065714 /nfs/dbraw/zinc/06/57/14/490065714.db2.gz MHRHZQUVQGZMLK-CVEARBPZSA-N 2 2 359.536 0.863 20 0 FCADLP CCCCN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000443059290 490065719 /nfs/dbraw/zinc/06/57/19/490065719.db2.gz MHRHZQUVQGZMLK-CVEARBPZSA-N 2 2 359.536 0.863 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000479197437 490073063 /nfs/dbraw/zinc/07/30/63/490073063.db2.gz UTPKQNAFGGTHGM-LTIDMASMSA-N 2 2 368.522 0.354 20 0 FCADLP Cn1c(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc2ccccc2c1=O ZINC000378537709 490082621 /nfs/dbraw/zinc/08/26/21/490082621.db2.gz XFFGBFQYCXFZPU-UHFFFAOYSA-N 2 2 372.469 0.593 20 0 FCADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000564273015 491297783 /nfs/dbraw/zinc/29/77/83/491297783.db2.gz RHKUKIVBVHGMKP-INIZCTEOSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000564273015 491297785 /nfs/dbraw/zinc/29/77/85/491297785.db2.gz RHKUKIVBVHGMKP-INIZCTEOSA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000545165305 490088478 /nfs/dbraw/zinc/08/84/78/490088478.db2.gz ABOZUJKNLQJEGZ-QGZVFWFLSA-N 2 2 356.463 0.695 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000545165305 490088482 /nfs/dbraw/zinc/08/84/82/490088482.db2.gz ABOZUJKNLQJEGZ-QGZVFWFLSA-N 2 2 356.463 0.695 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000532654840 490090849 /nfs/dbraw/zinc/09/08/49/490090849.db2.gz SLPLYIGVKKQWOK-BPQIPLTHSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000532654840 490090850 /nfs/dbraw/zinc/09/08/50/490090850.db2.gz SLPLYIGVKKQWOK-BPQIPLTHSA-N 2 2 368.522 0.774 20 0 FCADLP CC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000532740658 490104058 /nfs/dbraw/zinc/10/40/58/490104058.db2.gz ZNVPDYPZHIYJCZ-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP CC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000532740658 490104062 /nfs/dbraw/zinc/10/40/62/490104062.db2.gz ZNVPDYPZHIYJCZ-UHFFFAOYSA-N 2 2 364.515 0.947 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000520232176 490120116 /nfs/dbraw/zinc/12/01/16/490120116.db2.gz VHLQAXURHLVOEC-QGZVFWFLSA-N 2 2 353.488 0.833 20 0 FCADLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(-c2ccccc2)n1C ZINC000479776152 490123596 /nfs/dbraw/zinc/12/35/96/490123596.db2.gz MTYUYFOISMGTDV-HRCADAONSA-N 2 2 369.469 0.963 20 0 FCADLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(-c2ccccc2)n1C ZINC000479776152 490123604 /nfs/dbraw/zinc/12/36/04/490123604.db2.gz MTYUYFOISMGTDV-HRCADAONSA-N 2 2 369.469 0.963 20 0 FCADLP CN(c1[nH+]cnc2[nH]ccc21)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000520270477 490125207 /nfs/dbraw/zinc/12/52/07/490125207.db2.gz QAMITYVELPUQLL-UHFFFAOYSA-N 3 2 371.489 0.633 20 0 FCADLP CN(c1[nH+]cnc2[nH]ccc21)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000520270477 490125225 /nfs/dbraw/zinc/12/52/25/490125225.db2.gz QAMITYVELPUQLL-UHFFFAOYSA-N 2 2 371.489 0.633 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000496630787 490125341 /nfs/dbraw/zinc/12/53/41/490125341.db2.gz KXNHCOJBQQNQLZ-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000496630787 490125352 /nfs/dbraw/zinc/12/53/52/490125352.db2.gz KXNHCOJBQQNQLZ-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@@]1(CO)CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000545398428 490129372 /nfs/dbraw/zinc/12/93/72/490129372.db2.gz NUWOIJZMSOKNNF-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP C[C@@]1(CO)CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000545398428 490129375 /nfs/dbraw/zinc/12/93/75/490129375.db2.gz NUWOIJZMSOKNNF-FQEVSTJZSA-N 2 2 361.486 0.982 20 0 FCADLP CCC(CC)[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000497019174 490135253 /nfs/dbraw/zinc/13/52/53/490135253.db2.gz LEHHCVXCYLBVJK-QZTJIDSGSA-N 2 2 371.522 0.275 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000564347217 491302110 /nfs/dbraw/zinc/30/21/10/491302110.db2.gz GVGYNVOSRBESIS-KGLIPLIRSA-N 2 2 359.430 0.195 20 0 FCADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1 ZINC000564347217 491302111 /nfs/dbraw/zinc/30/21/11/491302111.db2.gz GVGYNVOSRBESIS-KGLIPLIRSA-N 2 2 359.430 0.195 20 0 FCADLP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520378338 490141095 /nfs/dbraw/zinc/14/10/95/490141095.db2.gz VMRJFJYHFGWIRA-QGZVFWFLSA-N 2 2 373.501 0.041 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000422100021 490151709 /nfs/dbraw/zinc/15/17/09/490151709.db2.gz KWWSQLFVNUMRTI-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000422100021 490151717 /nfs/dbraw/zinc/15/17/17/490151717.db2.gz KWWSQLFVNUMRTI-HNNXBMFYSA-N 2 2 364.515 0.945 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422113655 490164926 /nfs/dbraw/zinc/16/49/26/490164926.db2.gz HZGXECRLYBEJNU-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422113655 490164932 /nfs/dbraw/zinc/16/49/32/490164932.db2.gz HZGXECRLYBEJNU-MRXNPFEDSA-N 2 2 354.495 0.108 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000520611250 490168808 /nfs/dbraw/zinc/16/88/08/490168808.db2.gz JGUNVDLMBJSEQX-UXLLHSPISA-N 2 2 360.433 0.873 20 0 FCADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000520611250 490168817 /nfs/dbraw/zinc/16/88/17/490168817.db2.gz JGUNVDLMBJSEQX-UXLLHSPISA-N 2 2 360.433 0.873 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000404399514 490180032 /nfs/dbraw/zinc/18/00/32/490180032.db2.gz QGOJXULAHXSPLB-GVDBMIGSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000404399514 490180049 /nfs/dbraw/zinc/18/00/49/490180049.db2.gz QGOJXULAHXSPLB-GVDBMIGSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000497647215 490188599 /nfs/dbraw/zinc/18/85/99/490188599.db2.gz HYKXMNOSDRMSIF-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000497647215 490188604 /nfs/dbraw/zinc/18/86/04/490188604.db2.gz HYKXMNOSDRMSIF-OAHLLOKOSA-N 2 2 350.467 0.773 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000556253987 491306129 /nfs/dbraw/zinc/30/61/29/491306129.db2.gz SPDGMDZTIIZXKG-KRWDZBQOSA-N 2 2 373.501 0.965 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000556253987 491306130 /nfs/dbraw/zinc/30/61/30/491306130.db2.gz SPDGMDZTIIZXKG-KRWDZBQOSA-N 2 2 373.501 0.965 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCC(=O)N(C)C)CC2)CC1 ZINC000422173224 490197008 /nfs/dbraw/zinc/19/70/08/490197008.db2.gz ORHMYMPLBNRZLN-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCC(=O)N(C)C)CC2)CC1 ZINC000422173224 490197013 /nfs/dbraw/zinc/19/70/13/490197013.db2.gz ORHMYMPLBNRZLN-UHFFFAOYSA-N 2 2 353.511 0.666 20 0 FCADLP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000497811543 490218046 /nfs/dbraw/zinc/21/80/46/490218046.db2.gz FBCIURIRXUVQDM-AWEZNQCLSA-N 2 2 358.398 0.851 20 0 FCADLP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@](C)([NH3+])c3ccccc3)cn2)CC1 ZINC000447437744 490235403 /nfs/dbraw/zinc/23/54/03/490235403.db2.gz FGSBITMUWGVXJM-LJQANCHMSA-N 2 2 370.457 0.470 20 0 FCADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000447438738 490235529 /nfs/dbraw/zinc/23/55/29/490235529.db2.gz HVIYRLNESSNFIU-UZLBHIALSA-N 2 2 374.485 0.252 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000556354907 491310710 /nfs/dbraw/zinc/31/07/10/491310710.db2.gz MVTVNHMMLYPDHX-YESZJQIVSA-N 2 2 368.522 0.402 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000556354907 491310712 /nfs/dbraw/zinc/31/07/12/491310712.db2.gz MVTVNHMMLYPDHX-YESZJQIVSA-N 2 2 368.522 0.402 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521379257 490254547 /nfs/dbraw/zinc/25/45/47/490254547.db2.gz KXVUKIDFCUOOSB-IBGZPJMESA-N 2 2 374.533 0.354 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521379257 490254554 /nfs/dbraw/zinc/25/45/54/490254554.db2.gz KXVUKIDFCUOOSB-IBGZPJMESA-N 2 2 374.533 0.354 20 0 FCADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000498137875 490262787 /nfs/dbraw/zinc/26/27/87/490262787.db2.gz YLSIXLQPNMSMHP-LSDHHAIUSA-N 2 2 354.401 0.763 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498206505 490271073 /nfs/dbraw/zinc/27/10/73/490271073.db2.gz HOCQIZSXTAPSBT-LBPRGKRZSA-N 2 2 355.389 0.219 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000533643863 490271942 /nfs/dbraw/zinc/27/19/42/490271942.db2.gz VANLSIBLWCSLDS-CABCVRRESA-N 2 2 362.540 0.477 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000533643863 490271943 /nfs/dbraw/zinc/27/19/43/490271943.db2.gz VANLSIBLWCSLDS-CABCVRRESA-N 2 2 362.540 0.477 20 0 FCADLP CNC(=O)N[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000547344117 490280357 /nfs/dbraw/zinc/28/03/57/490280357.db2.gz SJWXVGLAAHAMDY-OAHLLOKOSA-N 2 2 366.510 0.258 20 0 FCADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000447875827 490284552 /nfs/dbraw/zinc/28/45/52/490284552.db2.gz VEFRAORSQVAFFO-IBGZPJMESA-N 2 2 373.497 0.968 20 0 FCADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@@H]1O ZINC000447875827 490284561 /nfs/dbraw/zinc/28/45/61/490284561.db2.gz VEFRAORSQVAFFO-IBGZPJMESA-N 2 2 373.497 0.968 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CO)[C@@H]3CCCO3)CC2)c1 ZINC000447906939 490289025 /nfs/dbraw/zinc/28/90/25/490289025.db2.gz PPQUYQJCMGTBDF-MOPGFXCFSA-N 2 2 361.486 0.769 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571541215 491314814 /nfs/dbraw/zinc/31/48/14/491314814.db2.gz YWASZWFPGWVCFM-JZXOWHBKSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571541215 491314815 /nfs/dbraw/zinc/31/48/15/491314815.db2.gz YWASZWFPGWVCFM-JZXOWHBKSA-N 2 2 374.485 0.212 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447912533 490290744 /nfs/dbraw/zinc/29/07/44/490290744.db2.gz GWLAHYNJMCXHDG-OALUTQOASA-N 2 2 361.486 0.769 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000498416156 490291670 /nfs/dbraw/zinc/29/16/70/490291670.db2.gz XAVJMKDHLIZNQO-UHFFFAOYSA-N 2 2 374.532 0.494 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000498416156 490291674 /nfs/dbraw/zinc/29/16/74/490291674.db2.gz XAVJMKDHLIZNQO-UHFFFAOYSA-N 2 2 374.532 0.494 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000564585240 491315370 /nfs/dbraw/zinc/31/53/70/491315370.db2.gz KQRPRBNZLDYNIU-ZBFHGGJFSA-N 2 2 370.519 0.946 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000564585240 491315371 /nfs/dbraw/zinc/31/53/71/491315371.db2.gz KQRPRBNZLDYNIU-ZBFHGGJFSA-N 2 2 370.519 0.946 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000533931218 490301618 /nfs/dbraw/zinc/30/16/18/490301618.db2.gz HYNVJRBKUATNTH-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000533931218 490301621 /nfs/dbraw/zinc/30/16/21/490301621.db2.gz HYNVJRBKUATNTH-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCNC2=O)CC1 ZINC000533931218 490301626 /nfs/dbraw/zinc/30/16/26/490301626.db2.gz HYNVJRBKUATNTH-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCNC2=O)CC1 ZINC000533931218 490301630 /nfs/dbraw/zinc/30/16/30/490301630.db2.gz HYNVJRBKUATNTH-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000521868749 490305074 /nfs/dbraw/zinc/30/50/74/490305074.db2.gz NQILDPNVVHSBSA-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000533982210 490307730 /nfs/dbraw/zinc/30/77/30/490307730.db2.gz PAZNFEMWQOHQBT-UHFFFAOYSA-N 3 2 368.570 0.339 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000467556639 490309783 /nfs/dbraw/zinc/30/97/83/490309783.db2.gz XQEVEXKYYXSNRM-SFHVURJKSA-N 2 2 353.555 0.404 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467694734 490330934 /nfs/dbraw/zinc/33/09/34/490330934.db2.gz PEXFFHZLTDIBCK-JJIJKTDDSA-N 2 2 363.502 0.901 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C[C@H](C)O1 ZINC000467694734 490330937 /nfs/dbraw/zinc/33/09/37/490330937.db2.gz PEXFFHZLTDIBCK-JJIJKTDDSA-N 2 2 363.502 0.901 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467706336 490331650 /nfs/dbraw/zinc/33/16/50/490331650.db2.gz IYXRBIRESVMBTC-YQQQUEKLSA-N 2 2 371.481 0.950 20 0 FCADLP C[N@H+](CCCCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000422459436 490333026 /nfs/dbraw/zinc/33/30/26/490333026.db2.gz YNHSVZOHMXVTSA-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@@H+](CCCCNC(=O)C(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000422459436 490333034 /nfs/dbraw/zinc/33/30/34/490333034.db2.gz YNHSVZOHMXVTSA-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC1 ZINC000422459436 490333037 /nfs/dbraw/zinc/33/30/37/490333037.db2.gz YNHSVZOHMXVTSA-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[NH+](CCCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC1 ZINC000422459436 490333040 /nfs/dbraw/zinc/33/30/40/490333040.db2.gz YNHSVZOHMXVTSA-UHFFFAOYSA-N 2 2 354.495 0.204 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422476309 490344481 /nfs/dbraw/zinc/34/44/81/490344481.db2.gz KTWVNUADBKSKHI-MRXNPFEDSA-N 2 2 369.469 0.812 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422476309 490344485 /nfs/dbraw/zinc/34/44/85/490344485.db2.gz KTWVNUADBKSKHI-MRXNPFEDSA-N 2 2 369.469 0.812 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000422488888 490354955 /nfs/dbraw/zinc/35/49/55/490354955.db2.gz KVEWRMHRMXSGMP-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000422488888 490354963 /nfs/dbraw/zinc/35/49/63/490354963.db2.gz KVEWRMHRMXSGMP-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000422488888 490354967 /nfs/dbraw/zinc/35/49/67/490354967.db2.gz KVEWRMHRMXSGMP-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000422488888 490354975 /nfs/dbraw/zinc/35/49/75/490354975.db2.gz KVEWRMHRMXSGMP-HNNXBMFYSA-N 2 2 354.495 0.062 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000498859554 490355488 /nfs/dbraw/zinc/35/54/88/490355488.db2.gz NVPLSEKCDGASDW-MRXNPFEDSA-N 2 2 374.489 0.003 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000498859554 490355495 /nfs/dbraw/zinc/35/54/95/490355495.db2.gz NVPLSEKCDGASDW-MRXNPFEDSA-N 2 2 374.489 0.003 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000422493017 490359226 /nfs/dbraw/zinc/35/92/26/490359226.db2.gz PTPVCUFUWURDKI-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000422493017 490359233 /nfs/dbraw/zinc/35/92/33/490359233.db2.gz PTPVCUFUWURDKI-INIZCTEOSA-N 2 2 354.495 0.015 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422493799 490359852 /nfs/dbraw/zinc/35/98/52/490359852.db2.gz QNJHQFJOKHJLMR-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000422493799 490359863 /nfs/dbraw/zinc/35/98/63/490359863.db2.gz QNJHQFJOKHJLMR-MRXNPFEDSA-N 2 2 359.474 0.578 20 0 FCADLP C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498893534 490361819 /nfs/dbraw/zinc/36/18/19/490361819.db2.gz RQNBRRXVDPVMFP-IRXDYDNUSA-N 2 2 361.552 0.996 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422497519 490362224 /nfs/dbraw/zinc/36/22/24/490362224.db2.gz VSGHDRFUIDRSEQ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422497519 490362233 /nfs/dbraw/zinc/36/22/33/490362233.db2.gz VSGHDRFUIDRSEQ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422497519 490362244 /nfs/dbraw/zinc/36/22/44/490362244.db2.gz VSGHDRFUIDRSEQ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422497519 490362253 /nfs/dbraw/zinc/36/22/53/490362253.db2.gz VSGHDRFUIDRSEQ-INIZCTEOSA-N 2 2 368.522 0.404 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000498946128 490370195 /nfs/dbraw/zinc/37/01/95/490370195.db2.gz BLTCFYKZOFDECW-QGZVFWFLSA-N 2 2 373.501 0.969 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000498946128 490370198 /nfs/dbraw/zinc/37/01/98/490370198.db2.gz BLTCFYKZOFDECW-QGZVFWFLSA-N 2 2 373.501 0.969 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000498960351 490371894 /nfs/dbraw/zinc/37/18/94/490371894.db2.gz ROKLCAPORBXEOX-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000498960351 490371905 /nfs/dbraw/zinc/37/19/05/490371905.db2.gz ROKLCAPORBXEOX-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000498960351 490371913 /nfs/dbraw/zinc/37/19/13/490371913.db2.gz ROKLCAPORBXEOX-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000498960351 490371917 /nfs/dbraw/zinc/37/19/17/490371917.db2.gz ROKLCAPORBXEOX-MRXNPFEDSA-N 2 2 366.506 0.058 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000410876580 490373086 /nfs/dbraw/zinc/37/30/86/490373086.db2.gz KSMJQBIWZMBAGR-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000410876580 490373091 /nfs/dbraw/zinc/37/30/91/490373091.db2.gz KSMJQBIWZMBAGR-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000410880570 490375014 /nfs/dbraw/zinc/37/50/14/490375014.db2.gz YBJYVAQRUHWAKQ-DLBZAZTESA-N 2 2 361.490 0.981 20 0 FCADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000410880570 490375018 /nfs/dbraw/zinc/37/50/18/490375018.db2.gz YBJYVAQRUHWAKQ-DLBZAZTESA-N 2 2 361.490 0.981 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000509080582 490386985 /nfs/dbraw/zinc/38/69/85/490386985.db2.gz GNQRPZZKJNXFDK-GJYPPUQNSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000509080582 490386990 /nfs/dbraw/zinc/38/69/90/490386990.db2.gz GNQRPZZKJNXFDK-GJYPPUQNSA-N 2 2 361.486 0.836 20 0 FCADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1F ZINC000411151010 490395405 /nfs/dbraw/zinc/39/54/05/490395405.db2.gz ARQFXEFRHFHDBX-UHFFFAOYSA-N 2 2 352.410 0.479 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000484236432 490402446 /nfs/dbraw/zinc/40/24/46/490402446.db2.gz UXILWOLIDMUGOT-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000484236432 490402456 /nfs/dbraw/zinc/40/24/56/490402456.db2.gz UXILWOLIDMUGOT-GJZGRUSLSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411207455 490404944 /nfs/dbraw/zinc/40/49/44/490404944.db2.gz NSSAEADVSNYNGO-OAHLLOKOSA-N 2 2 359.430 0.842 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1C ZINC000449390599 490411300 /nfs/dbraw/zinc/41/13/00/490411300.db2.gz GRJOKOVNVRVBSJ-MRXNPFEDSA-N 2 2 352.479 0.999 20 0 FCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1C ZINC000449390599 490411303 /nfs/dbraw/zinc/41/13/03/490411303.db2.gz GRJOKOVNVRVBSJ-MRXNPFEDSA-N 2 2 352.479 0.999 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340574 490414903 /nfs/dbraw/zinc/41/49/03/490414903.db2.gz HBPZLAUQLGLQDC-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000499340574 490414906 /nfs/dbraw/zinc/41/49/06/490414906.db2.gz HBPZLAUQLGLQDC-HUUCEWRRSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc(C)[nH+]1 ZINC000422595709 490421360 /nfs/dbraw/zinc/42/13/60/490421360.db2.gz ZVDNZZXWAOXUQC-UHFFFAOYSA-N 2 2 374.485 0.885 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422627161 490432798 /nfs/dbraw/zinc/43/27/98/490432798.db2.gz NADNKFZYQKMXSH-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+]1CCN(C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787482 491326267 /nfs/dbraw/zinc/32/62/67/491326267.db2.gz YCEOMZCOVGFUGJ-RBUKOAKNSA-N 3 2 374.533 0.259 20 0 FCADLP C[NH+]1CCN(C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787482 491326269 /nfs/dbraw/zinc/32/62/69/491326269.db2.gz YCEOMZCOVGFUGJ-RBUKOAKNSA-N 3 2 374.533 0.259 20 0 FCADLP [NH3+]CCCCC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000571759118 491327007 /nfs/dbraw/zinc/32/70/07/491327007.db2.gz AVZWDFUFZXUOJL-UHFFFAOYSA-N 2 2 350.438 0.829 20 0 FCADLP CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484628576 490449122 /nfs/dbraw/zinc/44/91/22/490449122.db2.gz MWUAFXNGUDVGER-DLBZAZTESA-N 2 2 362.474 0.904 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000523211354 490449511 /nfs/dbraw/zinc/44/95/11/490449511.db2.gz OEABJZZIMRVNDO-MRXNPFEDSA-N 2 2 364.494 0.905 20 0 FCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000523211354 490449516 /nfs/dbraw/zinc/44/95/16/490449516.db2.gz OEABJZZIMRVNDO-MRXNPFEDSA-N 2 2 364.494 0.905 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097784 490456215 /nfs/dbraw/zinc/45/62/15/490456215.db2.gz YFNBQJMJSNAZIP-JKSUJKDBSA-N 2 2 359.536 0.827 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097784 490456221 /nfs/dbraw/zinc/45/62/21/490456221.db2.gz YFNBQJMJSNAZIP-JKSUJKDBSA-N 2 2 359.536 0.827 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000509719399 490456407 /nfs/dbraw/zinc/45/64/07/490456407.db2.gz GMRZWNSHWLYWOT-INIZCTEOSA-N 2 2 364.446 0.146 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000509719399 490456410 /nfs/dbraw/zinc/45/64/10/490456410.db2.gz GMRZWNSHWLYWOT-INIZCTEOSA-N 2 2 364.446 0.146 20 0 FCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422714585 490463993 /nfs/dbraw/zinc/46/39/93/490463993.db2.gz LDHSXUOMQFSXBH-MSOLQXFVSA-N 3 2 362.522 0.735 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000422805972 490478117 /nfs/dbraw/zinc/47/81/17/490478117.db2.gz MVOIMRZOTFCVHT-AWEZNQCLSA-N 2 2 353.488 0.751 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422887721 490490946 /nfs/dbraw/zinc/49/09/46/490490946.db2.gz ZBHHBAVVLKWYQN-QZTJIDSGSA-N 2 2 374.485 0.457 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422893419 490493157 /nfs/dbraw/zinc/49/31/57/490493157.db2.gz QMOFGMCUWOHYFR-INIZCTEOSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000422910356 490495216 /nfs/dbraw/zinc/49/52/16/490495216.db2.gz HUXGQIMHHGPMFD-KURKYZTESA-N 3 2 352.523 0.820 20 0 FCADLP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000500299978 490501696 /nfs/dbraw/zinc/50/16/96/490501696.db2.gz VEKMVHRAGACAIK-MRXNPFEDSA-N 2 2 374.441 0.754 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@H+](C)C1 ZINC000413898189 490507600 /nfs/dbraw/zinc/50/76/00/490507600.db2.gz IDVGSYNOEZSGSW-OWCLPIDISA-N 2 2 360.458 0.717 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@@H+](C)C1 ZINC000413898189 490507607 /nfs/dbraw/zinc/50/76/07/490507607.db2.gz IDVGSYNOEZSGSW-OWCLPIDISA-N 2 2 360.458 0.717 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898682 490507830 /nfs/dbraw/zinc/50/78/30/490507830.db2.gz IOTCKHOWFWGCLE-DLBZAZTESA-N 2 2 369.506 0.687 20 0 FCADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898682 490507833 /nfs/dbraw/zinc/50/78/33/490507833.db2.gz IOTCKHOWFWGCLE-DLBZAZTESA-N 2 2 369.506 0.687 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000422985278 490511869 /nfs/dbraw/zinc/51/18/69/490511869.db2.gz CYJQHDHAZCMYAP-BRWVUGGUSA-N 3 2 360.506 0.870 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000422985278 490511874 /nfs/dbraw/zinc/51/18/74/490511874.db2.gz CYJQHDHAZCMYAP-BRWVUGGUSA-N 2 2 360.506 0.870 20 0 FCADLP C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000451081322 490512317 /nfs/dbraw/zinc/51/23/17/490512317.db2.gz KIGXDFSDWQNACM-MRXNPFEDSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000451081322 490512323 /nfs/dbraw/zinc/51/23/23/490512323.db2.gz KIGXDFSDWQNACM-MRXNPFEDSA-N 2 2 352.523 0.630 20 0 FCADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(C)s1 ZINC000423000542 490515025 /nfs/dbraw/zinc/51/50/25/490515025.db2.gz VKDCXSMWISTYQO-RISCZKNCSA-N 2 2 361.533 1.000 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000423016738 490519404 /nfs/dbraw/zinc/51/94/04/490519404.db2.gz ULVLJTWPDSYYHA-KRWDZBQOSA-N 2 2 358.486 0.707 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000423018574 490520371 /nfs/dbraw/zinc/52/03/71/490520371.db2.gz ZHEKSNKLFNIYQJ-SFHVURJKSA-N 2 2 358.486 0.707 20 0 FCADLP CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474547 490521941 /nfs/dbraw/zinc/52/19/41/490521941.db2.gz SLXZGAPYIFVSQH-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000500474547 490521947 /nfs/dbraw/zinc/52/19/47/490521947.db2.gz SLXZGAPYIFVSQH-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000500474547 490521954 /nfs/dbraw/zinc/52/19/54/490521954.db2.gz SLXZGAPYIFVSQH-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000500474547 490521961 /nfs/dbraw/zinc/52/19/61/490521961.db2.gz SLXZGAPYIFVSQH-DLBZAZTESA-N 2 2 368.522 0.450 20 0 FCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423024809 490522821 /nfs/dbraw/zinc/52/28/21/490522821.db2.gz MSGRDVCPAGGEJI-KRWDZBQOSA-N 2 2 374.485 0.278 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000423036399 490525900 /nfs/dbraw/zinc/52/59/00/490525900.db2.gz TYZLZWRYRMUFPY-OAHLLOKOSA-N 2 2 374.489 0.377 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423051576 490530938 /nfs/dbraw/zinc/53/09/38/490530938.db2.gz OPMAANLVJFQWTI-QRQLOZEOSA-N 2 2 361.486 0.813 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000423058098 490531309 /nfs/dbraw/zinc/53/13/09/490531309.db2.gz IVCQKQNCWFNDMY-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000423058099 490531468 /nfs/dbraw/zinc/53/14/68/490531468.db2.gz IVCQKQNCWFNDMY-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000423064281 490534247 /nfs/dbraw/zinc/53/42/47/490534247.db2.gz YRWMHVRIFKKYHS-UHFFFAOYSA-N 2 2 366.506 0.159 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000571877727 491334509 /nfs/dbraw/zinc/33/45/09/491334509.db2.gz GYCFHZUIZRVMEM-CVEARBPZSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000571877727 491334512 /nfs/dbraw/zinc/33/45/12/491334512.db2.gz GYCFHZUIZRVMEM-CVEARBPZSA-N 2 2 374.489 0.540 20 0 FCADLP O=C(C[N@H+](CCO)CC1CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000510937402 490550810 /nfs/dbraw/zinc/55/08/10/490550810.db2.gz XRLXFUVLAMALFG-UHFFFAOYSA-N 2 2 373.497 0.970 20 0 FCADLP O=C(C[N@@H+](CCO)CC1CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000510937402 490550816 /nfs/dbraw/zinc/55/08/16/490550816.db2.gz XRLXFUVLAMALFG-UHFFFAOYSA-N 2 2 373.497 0.970 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000500799876 490554185 /nfs/dbraw/zinc/55/41/85/490554185.db2.gz HUQWVRVPJIQGKR-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500795666 490554390 /nfs/dbraw/zinc/55/43/90/490554390.db2.gz SETAURKVLRTNPN-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)[C@H]2CCCCN12 ZINC000511017337 490554776 /nfs/dbraw/zinc/55/47/76/490554776.db2.gz ZJXWHIXJKUHQCG-QZTJIDSGSA-N 2 2 350.507 0.526 20 0 FCADLP O=C1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)[C@H]2CCCCN12 ZINC000511017337 490554777 /nfs/dbraw/zinc/55/47/77/490554777.db2.gz ZJXWHIXJKUHQCG-QZTJIDSGSA-N 2 2 350.507 0.526 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063754 490558561 /nfs/dbraw/zinc/55/85/61/490558561.db2.gz IKUZTUJXWMKCTE-HZPDHXFCSA-N 2 2 374.551 0.142 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511063754 490558564 /nfs/dbraw/zinc/55/85/64/490558564.db2.gz IKUZTUJXWMKCTE-HZPDHXFCSA-N 2 2 374.551 0.142 20 0 FCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000511081268 490559972 /nfs/dbraw/zinc/55/99/72/490559972.db2.gz IMUYJBKWRUCRFL-MRXNPFEDSA-N 2 2 363.506 0.859 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H](CO)Cc2ccco2)CC1 ZINC000536223334 490562938 /nfs/dbraw/zinc/56/29/38/490562938.db2.gz ASOHVRTZFUQYDE-HNNXBMFYSA-N 2 2 352.479 0.756 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854842 490564430 /nfs/dbraw/zinc/56/44/30/490564430.db2.gz NCOZKXRBZTXAMZ-CRAIPNDOSA-N 2 2 374.485 0.885 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000485854842 490564433 /nfs/dbraw/zinc/56/44/33/490564433.db2.gz NCOZKXRBZTXAMZ-CRAIPNDOSA-N 2 2 374.485 0.885 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000524925491 490570864 /nfs/dbraw/zinc/57/08/64/490570864.db2.gz YGLQKMVUBVHIPI-INIZCTEOSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000524925491 490570869 /nfs/dbraw/zinc/57/08/69/490570869.db2.gz YGLQKMVUBVHIPI-INIZCTEOSA-N 2 2 355.527 0.111 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1C[NH2+]C1 ZINC000564918499 491336665 /nfs/dbraw/zinc/33/66/65/491336665.db2.gz VHGDURJNVSLAHT-ZBFHGGJFSA-N 2 2 374.489 0.254 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1C[NH2+]C1 ZINC000564918499 491336667 /nfs/dbraw/zinc/33/66/67/491336667.db2.gz VHGDURJNVSLAHT-ZBFHGGJFSA-N 2 2 374.489 0.254 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)nn1 ZINC000564955841 491340331 /nfs/dbraw/zinc/34/03/31/491340331.db2.gz BCJKYTYFNFCXRQ-IRXDYDNUSA-N 2 2 362.478 0.544 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)nn1 ZINC000564955841 491340332 /nfs/dbraw/zinc/34/03/32/491340332.db2.gz BCJKYTYFNFCXRQ-IRXDYDNUSA-N 2 2 362.478 0.544 20 0 FCADLP CC[NH+]1CCN(CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000501139640 490583541 /nfs/dbraw/zinc/58/35/41/490583541.db2.gz BSGZGURGYXCQEH-UHFFFAOYSA-N 2 2 354.539 0.831 20 0 FCADLP CCN1CC[NH+](CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000501139640 490583548 /nfs/dbraw/zinc/58/35/48/490583548.db2.gz BSGZGURGYXCQEH-UHFFFAOYSA-N 2 2 354.539 0.831 20 0 FCADLP COC(=O)c1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)o1 ZINC000501196869 490588228 /nfs/dbraw/zinc/58/82/28/490588228.db2.gz RPQVCFWVNKBCPM-UHFFFAOYSA-N 2 2 351.447 0.952 20 0 FCADLP CC(C)OC[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000501424055 490603210 /nfs/dbraw/zinc/60/32/10/490603210.db2.gz MTDHERCNUBKQKR-INIZCTEOSA-N 2 2 370.519 0.937 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573519 490604262 /nfs/dbraw/zinc/60/42/62/490604262.db2.gz LMAJTFNFDPWVMH-VQIMIIECSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000511573519 490604267 /nfs/dbraw/zinc/60/42/67/490604267.db2.gz LMAJTFNFDPWVMH-VQIMIIECSA-N 2 2 370.497 0.930 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000501612534 490623740 /nfs/dbraw/zinc/62/37/40/490623740.db2.gz JTILBUICORLVDC-HZPDHXFCSA-N 2 2 359.474 0.695 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000501612534 490623744 /nfs/dbraw/zinc/62/37/44/490623744.db2.gz JTILBUICORLVDC-HZPDHXFCSA-N 2 2 359.474 0.695 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933439 490624030 /nfs/dbraw/zinc/62/40/30/490624030.db2.gz YSNRUORZCKZPCX-GASCZTMLSA-N 2 2 370.494 0.422 20 0 FCADLP CCNC(=O)NC(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933439 490624038 /nfs/dbraw/zinc/62/40/38/490624038.db2.gz YSNRUORZCKZPCX-GASCZTMLSA-N 2 2 370.494 0.422 20 0 FCADLP CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486434779 490624234 /nfs/dbraw/zinc/62/42/34/490624234.db2.gz JGCWMUJADDKHHM-HNNXBMFYSA-N 2 2 360.458 0.920 20 0 FCADLP CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486434779 490624238 /nfs/dbraw/zinc/62/42/38/490624238.db2.gz JGCWMUJADDKHHM-HNNXBMFYSA-N 2 2 360.458 0.920 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486437637 490624794 /nfs/dbraw/zinc/62/47/94/490624794.db2.gz OJNRTLUCJBJYJK-LSDHHAIUSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486437637 490624800 /nfs/dbraw/zinc/62/48/00/490624800.db2.gz OJNRTLUCJBJYJK-LSDHHAIUSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1(CO)CCC1 ZINC000550102290 490624868 /nfs/dbraw/zinc/62/48/68/490624868.db2.gz UXGXWCDCVYGAAN-KRWDZBQOSA-N 2 2 355.523 0.990 20 0 FCADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486441255 490626495 /nfs/dbraw/zinc/62/64/95/490626495.db2.gz ZBUCFYZNXSGQLO-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000486441255 490626500 /nfs/dbraw/zinc/62/65/00/490626500.db2.gz ZBUCFYZNXSGQLO-GOSISDBHSA-N 2 2 374.485 0.345 20 0 FCADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486442813 490626886 /nfs/dbraw/zinc/62/68/86/490626886.db2.gz QAIMEUCAJLMXDR-WMZOPIPTSA-N 2 2 358.486 0.630 20 0 FCADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486442813 490626893 /nfs/dbraw/zinc/62/68/93/490626893.db2.gz QAIMEUCAJLMXDR-WMZOPIPTSA-N 2 2 358.486 0.630 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000550131845 490629957 /nfs/dbraw/zinc/62/99/57/490629957.db2.gz BTXGTHHAJDYXEF-QGZVFWFLSA-N 2 2 366.506 0.302 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486458583 490631390 /nfs/dbraw/zinc/63/13/90/490631390.db2.gz IYVOQSBBUKZIIA-IEBWSBKVSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486458583 490631396 /nfs/dbraw/zinc/63/13/96/490631396.db2.gz IYVOQSBBUKZIIA-IEBWSBKVSA-N 2 2 372.513 0.938 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)s1 ZINC000486460795 490632173 /nfs/dbraw/zinc/63/21/73/490632173.db2.gz NCLRECCACXPVQE-LBPRGKRZSA-N 2 2 370.906 0.914 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCc1ccc(Cl)s1 ZINC000486460795 490632177 /nfs/dbraw/zinc/63/21/77/490632177.db2.gz NCLRECCACXPVQE-LBPRGKRZSA-N 2 2 370.906 0.914 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486461471 490632293 /nfs/dbraw/zinc/63/22/93/490632293.db2.gz ZZGSXQOHXYXNEK-WBVHZDCISA-N 2 2 350.507 0.968 20 0 FCADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486461471 490632297 /nfs/dbraw/zinc/63/22/97/490632297.db2.gz ZZGSXQOHXYXNEK-WBVHZDCISA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486461470 490632584 /nfs/dbraw/zinc/63/25/84/490632584.db2.gz ZZGSXQOHXYXNEK-RDJZCZTQSA-N 2 2 350.507 0.968 20 0 FCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486461470 490632591 /nfs/dbraw/zinc/63/25/91/490632591.db2.gz ZZGSXQOHXYXNEK-RDJZCZTQSA-N 2 2 350.507 0.968 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460850 490633608 /nfs/dbraw/zinc/63/36/08/490633608.db2.gz BGSRMDCZRDMNIZ-HZPDHXFCSA-N 2 2 374.485 0.769 20 0 FCADLP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486460850 490633612 /nfs/dbraw/zinc/63/36/12/490633612.db2.gz BGSRMDCZRDMNIZ-HZPDHXFCSA-N 2 2 374.485 0.769 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486474448 490637008 /nfs/dbraw/zinc/63/70/08/490637008.db2.gz XPFOZRVKDGQLIZ-CQSZACIVSA-N 2 2 360.414 0.250 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc2c(c1)OCO2 ZINC000486474448 490637014 /nfs/dbraw/zinc/63/70/14/490637014.db2.gz XPFOZRVKDGQLIZ-CQSZACIVSA-N 2 2 360.414 0.250 20 0 FCADLP CC(C)C[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000501801906 490642638 /nfs/dbraw/zinc/64/26/38/490642638.db2.gz GVJBZGQGBJOHSL-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000550229008 490644826 /nfs/dbraw/zinc/64/48/26/490644826.db2.gz UKVKDZFBTQDHAA-HNNXBMFYSA-N 2 2 361.421 0.785 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000556888554 491342413 /nfs/dbraw/zinc/34/24/13/491342413.db2.gz AERBXNUWQJEPEK-HNNXBMFYSA-N 2 2 367.519 0.485 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](CS(C)(=O)=O)C3)cn2)CC1 ZINC000556888554 491342416 /nfs/dbraw/zinc/34/24/16/491342416.db2.gz AERBXNUWQJEPEK-HNNXBMFYSA-N 2 2 367.519 0.485 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCCO1 ZINC000572013342 491342789 /nfs/dbraw/zinc/34/27/89/491342789.db2.gz UTOFAFUCLRLDON-MSOLQXFVSA-N 2 2 362.474 0.819 20 0 FCADLP C[NH+]1CCC(CCNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000550366061 490665719 /nfs/dbraw/zinc/66/57/19/490665719.db2.gz ICEJTIXAMQUGKJ-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP COCCO[C@H]1COCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000486891504 490679116 /nfs/dbraw/zinc/67/91/16/490679116.db2.gz CFOQYAMHYZQGSV-IRXDYDNUSA-N 2 2 372.510 0.132 20 0 FCADLP COCCO[C@@H]1COCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000486891502 490679201 /nfs/dbraw/zinc/67/92/01/490679201.db2.gz CFOQYAMHYZQGSV-IAGOWNOFSA-N 2 2 372.510 0.132 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000556963917 491345393 /nfs/dbraw/zinc/34/53/93/491345393.db2.gz OTPJQQZHAMKDQQ-HNNXBMFYSA-N 2 2 360.458 0.498 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000556963917 491345396 /nfs/dbraw/zinc/34/53/96/491345396.db2.gz OTPJQQZHAMKDQQ-HNNXBMFYSA-N 2 2 360.458 0.498 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000537583478 490684058 /nfs/dbraw/zinc/68/40/58/490684058.db2.gz UZHYEHAHXFBPMF-CYBMUJFWSA-N 2 2 359.478 0.400 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000502239455 490688725 /nfs/dbraw/zinc/68/87/25/490688725.db2.gz ZSCYQTFVKMURAH-UHFFFAOYSA-N 2 2 350.444 0.648 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991241 491347013 /nfs/dbraw/zinc/34/70/13/491347013.db2.gz XZWHTUZLAHLMTM-WBVHZDCISA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000556991241 491347016 /nfs/dbraw/zinc/34/70/16/491347016.db2.gz XZWHTUZLAHLMTM-WBVHZDCISA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000556991241 491347017 /nfs/dbraw/zinc/34/70/17/491347017.db2.gz XZWHTUZLAHLMTM-WBVHZDCISA-N 2 2 367.490 0.631 20 0 FCADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000556991241 491347020 /nfs/dbraw/zinc/34/70/20/491347020.db2.gz XZWHTUZLAHLMTM-WBVHZDCISA-N 2 2 367.490 0.631 20 0 FCADLP C[NH+](C)C1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC000527084057 490697642 /nfs/dbraw/zinc/69/76/42/490697642.db2.gz XGKFCUHFGLGDRP-QGZVFWFLSA-N 2 2 356.536 0.978 20 0 FCADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000565046831 491348075 /nfs/dbraw/zinc/34/80/75/491348075.db2.gz VNVGNUOYKOBGRX-MOPGFXCFSA-N 2 2 370.497 0.559 20 0 FCADLP C[C@@H]1CN(C(=O)CSCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000513108039 490709512 /nfs/dbraw/zinc/70/95/12/490709512.db2.gz JYDVLMIZJPXFOX-GEEKYZPCSA-N 2 2 370.563 0.822 20 0 FCADLP C[C@@H]1CN(C(=O)CSCC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000513108039 490709518 /nfs/dbraw/zinc/70/95/18/490709518.db2.gz JYDVLMIZJPXFOX-GEEKYZPCSA-N 2 2 370.563 0.822 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000538181258 490718511 /nfs/dbraw/zinc/71/85/11/490718511.db2.gz CJEQNCKHKBSKQN-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000538181258 490718514 /nfs/dbraw/zinc/71/85/14/490718514.db2.gz CJEQNCKHKBSKQN-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000538181258 490718518 /nfs/dbraw/zinc/71/85/18/490718518.db2.gz CJEQNCKHKBSKQN-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP COC(=O)CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000538181258 490718521 /nfs/dbraw/zinc/71/85/21/490718521.db2.gz CJEQNCKHKBSKQN-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000538216309 490719900 /nfs/dbraw/zinc/71/99/00/490719900.db2.gz STUHWHNUZUNNQK-OAHLLOKOSA-N 2 2 359.536 0.780 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513456215 490730384 /nfs/dbraw/zinc/73/03/84/490730384.db2.gz CPMRPPCLEMGDAK-CQSZACIVSA-N 2 2 356.511 0.306 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000513456215 490730387 /nfs/dbraw/zinc/73/03/87/490730387.db2.gz CPMRPPCLEMGDAK-CQSZACIVSA-N 2 2 356.511 0.306 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000502944721 490731924 /nfs/dbraw/zinc/73/19/24/490731924.db2.gz JYPHQSLLBQWBIF-UHFFFAOYSA-N 2 2 364.471 0.957 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000503063694 490737538 /nfs/dbraw/zinc/73/75/38/490737538.db2.gz USDXSIXWYIZXLX-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000503063694 490737540 /nfs/dbraw/zinc/73/75/40/490737540.db2.gz USDXSIXWYIZXLX-RDJZCZTQSA-N 2 2 356.536 0.930 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000503158379 490741138 /nfs/dbraw/zinc/74/11/38/490741138.db2.gz FFGVZPVUEFAUNF-GKLJAUDBSA-N 2 2 360.462 0.475 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000503158379 490741142 /nfs/dbraw/zinc/74/11/42/490741142.db2.gz FFGVZPVUEFAUNF-GKLJAUDBSA-N 2 2 360.462 0.475 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1OC ZINC000488033689 490742939 /nfs/dbraw/zinc/74/29/39/490742939.db2.gz JUKJLHLGHDHBAI-QZTJIDSGSA-N 2 2 363.458 0.803 20 0 FCADLP CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000513832016 490750643 /nfs/dbraw/zinc/75/06/43/490750643.db2.gz BRCNGPAKNPXSFW-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000513832016 490750647 /nfs/dbraw/zinc/75/06/47/490750647.db2.gz BRCNGPAKNPXSFW-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC[N@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000503441453 490756287 /nfs/dbraw/zinc/75/62/87/490756287.db2.gz XTKHCQCHFOSFLG-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP CC[N@@H+](CCOCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000503441453 490756289 /nfs/dbraw/zinc/75/62/89/490756289.db2.gz XTKHCQCHFOSFLG-UHFFFAOYSA-N 2 2 355.504 0.723 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000557120324 491354724 /nfs/dbraw/zinc/35/47/24/491354724.db2.gz CSKVGJXPNJQLEY-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000557120324 491354725 /nfs/dbraw/zinc/35/47/25/491354725.db2.gz CSKVGJXPNJQLEY-INIZCTEOSA-N 2 2 368.522 0.450 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671716 490780731 /nfs/dbraw/zinc/78/07/31/490780731.db2.gz APCODHDWRQWSEI-NVXWUHKLSA-N 2 2 351.491 0.844 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC12CCOCC2 ZINC000514671716 490780734 /nfs/dbraw/zinc/78/07/34/490780734.db2.gz APCODHDWRQWSEI-NVXWUHKLSA-N 2 2 351.491 0.844 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514678829 490781597 /nfs/dbraw/zinc/78/15/97/490781597.db2.gz VUBHKONTLBUXSF-JCNKGUOZSA-N 2 2 374.529 0.905 20 0 FCADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514678829 490781601 /nfs/dbraw/zinc/78/16/01/490781601.db2.gz VUBHKONTLBUXSF-JCNKGUOZSA-N 2 2 374.529 0.905 20 0 FCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000557168395 491357177 /nfs/dbraw/zinc/35/71/77/491357177.db2.gz WCJPCHQCRBMEQH-LSDHHAIUSA-N 2 2 351.495 0.323 20 0 FCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000557183071 491358298 /nfs/dbraw/zinc/35/82/98/491358298.db2.gz FFKYFHCKSVTWDS-SJORKVTESA-N 2 2 362.474 0.947 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1OC ZINC000515846432 490840685 /nfs/dbraw/zinc/84/06/85/490840685.db2.gz XKQGCGIIVSSBPY-UHFFFAOYSA-N 2 2 362.474 0.367 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1=O ZINC000565214024 491361081 /nfs/dbraw/zinc/36/10/81/491361081.db2.gz OYKGHJTZUOUZGZ-MRXNPFEDSA-N 2 2 373.457 0.552 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1=O ZINC000565214024 491361082 /nfs/dbraw/zinc/36/10/82/491361082.db2.gz OYKGHJTZUOUZGZ-MRXNPFEDSA-N 2 2 373.457 0.552 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000557240722 491361118 /nfs/dbraw/zinc/36/11/18/491361118.db2.gz DRPBPXQBQHFFBM-KRWDZBQOSA-N 2 2 361.490 0.296 20 0 FCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000572301075 491361455 /nfs/dbraw/zinc/36/14/55/491361455.db2.gz WFWJNIGTCYMFIE-SQNIBIBYSA-N 2 2 354.539 0.612 20 0 FCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000572301075 491361456 /nfs/dbraw/zinc/36/14/56/491361456.db2.gz WFWJNIGTCYMFIE-SQNIBIBYSA-N 2 2 354.539 0.612 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000506031422 490848930 /nfs/dbraw/zinc/84/89/30/490848930.db2.gz KLRMYKHMKHOXDG-HUUCEWRRSA-N 2 2 362.478 0.708 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000506031422 490848937 /nfs/dbraw/zinc/84/89/37/490848937.db2.gz KLRMYKHMKHOXDG-HUUCEWRRSA-N 2 2 362.478 0.708 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529321442 490851588 /nfs/dbraw/zinc/85/15/88/490851588.db2.gz ILFATRAULQIUIU-KRWDZBQOSA-N 2 2 366.506 0.651 20 0 FCADLP COc1c(N)[nH+]cnc1NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000565228332 491361750 /nfs/dbraw/zinc/36/17/50/491361750.db2.gz DPJCUDLJACEJKS-UHFFFAOYSA-N 2 2 350.467 1.106 20 0 FCADLP COc1c(N)nc[nH+]c1NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000565228332 491361752 /nfs/dbraw/zinc/36/17/52/491361752.db2.gz DPJCUDLJACEJKS-UHFFFAOYSA-N 2 2 350.467 1.106 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000516470373 490864574 /nfs/dbraw/zinc/86/45/74/490864574.db2.gz QBKOSMKGKNRLNP-HOTGVXAUSA-N 3 2 361.490 0.752 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000557252236 491362656 /nfs/dbraw/zinc/36/26/56/491362656.db2.gz OBODHWNODRITKV-HNNXBMFYSA-N 2 2 364.494 0.463 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000557252236 491362658 /nfs/dbraw/zinc/36/26/58/491362658.db2.gz OBODHWNODRITKV-HNNXBMFYSA-N 2 2 364.494 0.463 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)C1(C)C ZINC000516568720 490868943 /nfs/dbraw/zinc/86/89/43/490868943.db2.gz VTRDTJJRBWBMQG-LBTNJELSSA-N 2 2 355.479 0.520 20 0 FCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)C1(C)C ZINC000516568720 490868945 /nfs/dbraw/zinc/86/89/45/490868945.db2.gz VTRDTJJRBWBMQG-LBTNJELSSA-N 2 2 355.479 0.520 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000529753690 490873237 /nfs/dbraw/zinc/87/32/37/490873237.db2.gz RRRKWIWTYOSKMK-LJQANCHMSA-N 2 2 371.441 0.613 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000529753690 490873238 /nfs/dbraw/zinc/87/32/38/490873238.db2.gz RRRKWIWTYOSKMK-LJQANCHMSA-N 2 2 371.441 0.613 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000516963699 490888131 /nfs/dbraw/zinc/88/81/31/490888131.db2.gz UASGMQWICPYSBW-QGZVFWFLSA-N 2 2 353.488 0.642 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000516963699 490888132 /nfs/dbraw/zinc/88/81/32/490888132.db2.gz UASGMQWICPYSBW-QGZVFWFLSA-N 2 2 353.488 0.642 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516978696 490888825 /nfs/dbraw/zinc/88/88/25/490888825.db2.gz HTZOMURLNBSEKE-OAHLLOKOSA-N 2 2 357.462 0.707 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000516978696 490888827 /nfs/dbraw/zinc/88/88/27/490888827.db2.gz HTZOMURLNBSEKE-OAHLLOKOSA-N 2 2 357.462 0.707 20 0 FCADLP CS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)co1 ZINC000530214089 490892868 /nfs/dbraw/zinc/89/28/68/490892868.db2.gz XPGVDTYWZGMTPY-AWEZNQCLSA-N 2 2 355.460 0.327 20 0 FCADLP CS(=O)(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)co1 ZINC000530214089 490892870 /nfs/dbraw/zinc/89/28/70/490892870.db2.gz XPGVDTYWZGMTPY-AWEZNQCLSA-N 2 2 355.460 0.327 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000517125854 490895963 /nfs/dbraw/zinc/89/59/63/490895963.db2.gz CJMONQMKLZTTBN-PMPSAXMXSA-N 2 2 366.506 0.202 20 0 FCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CCCC[NH+]2CCOCC2)no1 ZINC000530369720 490901768 /nfs/dbraw/zinc/90/17/68/490901768.db2.gz UHCYNYBBSDTTRY-UHFFFAOYSA-N 2 2 353.467 0.985 20 0 FCADLP CCC[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000517684312 490916285 /nfs/dbraw/zinc/91/62/85/490916285.db2.gz ZTMYEUQHRBRETE-KRWDZBQOSA-N 2 2 366.506 0.254 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000517710801 490917582 /nfs/dbraw/zinc/91/75/82/490917582.db2.gz AQJSRVBMOMLGOT-MRXNPFEDSA-N 2 2 364.490 0.546 20 0 FCADLP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000517710801 490917584 /nfs/dbraw/zinc/91/75/84/490917584.db2.gz AQJSRVBMOMLGOT-MRXNPFEDSA-N 2 2 364.490 0.546 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCSC1 ZINC000530656204 490918212 /nfs/dbraw/zinc/91/82/12/490918212.db2.gz QTOQYCPASUXKQU-INIZCTEOSA-N 2 2 352.508 0.674 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000530665672 490918715 /nfs/dbraw/zinc/91/87/15/490918715.db2.gz KJMKPUVBLQVAHB-UHFFFAOYSA-N 2 2 359.430 0.718 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000531055878 490938161 /nfs/dbraw/zinc/93/81/61/490938161.db2.gz OAOHRNYBJSNUOA-IBGZPJMESA-N 2 2 357.458 0.739 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000531055878 490938162 /nfs/dbraw/zinc/93/81/62/490938162.db2.gz OAOHRNYBJSNUOA-IBGZPJMESA-N 2 2 357.458 0.739 20 0 FCADLP Cn1c2nnc(C[NH+]3CCC(OCCC[NH3+])CC3)n2c2ccccc2c1=O ZINC000518771392 490950865 /nfs/dbraw/zinc/95/08/65/490950865.db2.gz MMFISCJWRDGTED-UHFFFAOYSA-N 2 2 370.457 0.911 20 0 FCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378615 490955155 /nfs/dbraw/zinc/95/51/55/490955155.db2.gz HBLSUZIZPLPIDJ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378615 490955156 /nfs/dbraw/zinc/95/51/56/490955156.db2.gz HBLSUZIZPLPIDJ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378615 490955159 /nfs/dbraw/zinc/95/51/59/490955159.db2.gz HBLSUZIZPLPIDJ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H]1C ZINC000531378615 490955160 /nfs/dbraw/zinc/95/51/60/490955160.db2.gz HBLSUZIZPLPIDJ-RDJZCZTQSA-N 2 2 350.507 0.872 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000519007609 490958951 /nfs/dbraw/zinc/95/89/51/490958951.db2.gz ZITDXTLCYVSLMP-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000519007609 490958952 /nfs/dbraw/zinc/95/89/52/490958952.db2.gz ZITDXTLCYVSLMP-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000519007609 490958953 /nfs/dbraw/zinc/95/89/53/490958953.db2.gz ZITDXTLCYVSLMP-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000519007609 490958954 /nfs/dbraw/zinc/95/89/54/490958954.db2.gz ZITDXTLCYVSLMP-IRXDYDNUSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000519007608 490958958 /nfs/dbraw/zinc/95/89/58/490958958.db2.gz ZITDXTLCYVSLMP-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000519007608 490958959 /nfs/dbraw/zinc/95/89/59/490958959.db2.gz ZITDXTLCYVSLMP-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000519007608 490958960 /nfs/dbraw/zinc/95/89/60/490958960.db2.gz ZITDXTLCYVSLMP-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000519007608 490958961 /nfs/dbraw/zinc/95/89/61/490958961.db2.gz ZITDXTLCYVSLMP-IAGOWNOFSA-N 2 2 368.522 0.594 20 0 FCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000544372269 490966750 /nfs/dbraw/zinc/96/67/50/490966750.db2.gz XTDPYJJXDHOWAF-AWEZNQCLSA-N 2 2 357.476 0.195 20 0 FCADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000544372269 490966753 /nfs/dbraw/zinc/96/67/53/490966753.db2.gz XTDPYJJXDHOWAF-AWEZNQCLSA-N 2 2 357.476 0.195 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000572400001 491367562 /nfs/dbraw/zinc/36/75/62/491367562.db2.gz KSYKMSDFUXGRNV-HOTGVXAUSA-N 2 2 359.474 0.788 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)cc[nH+]1 ZINC000544615728 490974056 /nfs/dbraw/zinc/97/40/56/490974056.db2.gz ZFMSFNUCAMIPTO-UHFFFAOYSA-N 2 2 369.473 0.967 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000531811131 490975018 /nfs/dbraw/zinc/97/50/18/490975018.db2.gz HVLARGGDHDAFCG-WBVHZDCISA-N 2 2 365.522 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000531811131 490975019 /nfs/dbraw/zinc/97/50/19/490975019.db2.gz HVLARGGDHDAFCG-WBVHZDCISA-N 2 2 365.522 0.665 20 0 FCADLP C[NH+]1CCN([C@H](CNC(=O)NCC(F)(F)C[NH3+])c2cccs2)CC1 ZINC000565293759 491367806 /nfs/dbraw/zinc/36/78/06/491367806.db2.gz PGJXNVAELHIITI-GFCCVEGCSA-N 2 2 361.462 0.930 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000519679424 490983855 /nfs/dbraw/zinc/98/38/55/490983855.db2.gz BSQYXTVSYNNLIE-OAHLLOKOSA-N 2 2 363.510 0.907 20 0 FCADLP CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477103 491925905 /nfs/dbraw/zinc/92/59/05/491925905.db2.gz BWYIZRWZDOPVDH-CYBMUJFWSA-N 2 2 370.475 0.168 20 0 FCADLP CN(C(=O)c1ccc(S(N)(=O)=O)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477103 491925908 /nfs/dbraw/zinc/92/59/08/491925908.db2.gz BWYIZRWZDOPVDH-CYBMUJFWSA-N 2 2 370.475 0.168 20 0 FCADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1C ZINC000602002146 491956784 /nfs/dbraw/zinc/95/67/84/491956784.db2.gz QEDVPYQAWSCSGD-OAHLLOKOSA-N 2 2 350.463 0.844 20 0 FCADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1C ZINC000602002146 491956787 /nfs/dbraw/zinc/95/67/87/491956787.db2.gz QEDVPYQAWSCSGD-OAHLLOKOSA-N 2 2 350.463 0.844 20 0 FCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000596048979 491973774 /nfs/dbraw/zinc/97/37/74/491973774.db2.gz XEOOJUYPVRTEEJ-ZYHUDNBSSA-N 2 2 366.384 0.606 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000602283669 491976494 /nfs/dbraw/zinc/97/64/94/491976494.db2.gz SRXMWNCNDJIRJE-CYBMUJFWSA-N 2 2 371.441 0.860 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)C2)CC1 ZINC000602283669 491976497 /nfs/dbraw/zinc/97/64/97/491976497.db2.gz SRXMWNCNDJIRJE-CYBMUJFWSA-N 2 2 371.441 0.860 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000569525892 491166510 /nfs/dbraw/zinc/16/65/10/491166510.db2.gz ZEYSMWJNBDVEET-INIZCTEOSA-N 2 2 367.538 0.071 20 0 FCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554061188 491174477 /nfs/dbraw/zinc/17/44/77/491174477.db2.gz IQQIHAVAJQBVKY-IAGOWNOFSA-N 2 2 368.522 0.545 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673494264 493336019 /nfs/dbraw/zinc/33/60/19/493336019.db2.gz WMFCUHQPGRILIF-ZBFHGGJFSA-N 2 2 368.547 0.483 20 0 FCADLP CN(C(=O)C(=O)NC[C@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673494264 493336022 /nfs/dbraw/zinc/33/60/22/493336022.db2.gz WMFCUHQPGRILIF-ZBFHGGJFSA-N 2 2 368.547 0.483 20 0 FCADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000562697516 491182361 /nfs/dbraw/zinc/18/23/61/491182361.db2.gz VCOCMCJCFGCOPI-INIZCTEOSA-N 2 2 359.474 0.743 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000554199921 491183532 /nfs/dbraw/zinc/18/35/32/491183532.db2.gz OQKZCYLREYSEKU-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000554199921 491183535 /nfs/dbraw/zinc/18/35/35/491183535.db2.gz OQKZCYLREYSEKU-IRXDYDNUSA-N 2 2 368.522 0.404 20 0 FCADLP COc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000565352757 491371324 /nfs/dbraw/zinc/37/13/24/491371324.db2.gz WPAOPLLKLBZYOH-ZDUSSCGKSA-N 2 2 352.435 0.497 20 0 FCADLP COc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000565352757 491371325 /nfs/dbraw/zinc/37/13/25/491371325.db2.gz WPAOPLLKLBZYOH-ZDUSSCGKSA-N 2 2 352.435 0.497 20 0 FCADLP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000565360430 491371580 /nfs/dbraw/zinc/37/15/80/491371580.db2.gz HNPJWYWXUKQTAN-KRWDZBQOSA-N 2 2 373.482 0.604 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000572467397 491371903 /nfs/dbraw/zinc/37/19/03/491371903.db2.gz LDXFOWOGQSXOHD-HOTGVXAUSA-N 2 2 366.506 0.524 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[N@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573479 491384489 /nfs/dbraw/zinc/38/44/89/491384489.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[N@@H+](C)C2)nc1NC[C@H]1CCC[NH+](C)C1 ZINC000557573479 491384490 /nfs/dbraw/zinc/38/44/90/491384490.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@H+](C)C1 ZINC000557573479 491384494 /nfs/dbraw/zinc/38/44/94/491384494.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 3 2 362.522 0.836 20 0 FCADLP COc1c[nH+]c(NC[C@H]2CCC[NH+](C)C2)nc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000557573479 491384496 /nfs/dbraw/zinc/38/44/96/491384496.db2.gz ZQQAREGYJFDNHB-HZPDHXFCSA-N 3 2 362.522 0.836 20 0 FCADLP CCNc1nc(NC[C@@H](C)C[NH+]2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000557589152 491385722 /nfs/dbraw/zinc/38/57/22/491385722.db2.gz WAUCKNSYJFDHRF-CYBMUJFWSA-N 2 2 351.499 0.738 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592988 491387271 /nfs/dbraw/zinc/38/72/71/491387271.db2.gz BAWOIOUCRTZCKR-KBPBESRZSA-N 2 2 368.432 0.937 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000565592988 491387273 /nfs/dbraw/zinc/38/72/73/491387273.db2.gz BAWOIOUCRTZCKR-KBPBESRZSA-N 2 2 368.432 0.937 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CCN2C1=O ZINC000565610678 491388938 /nfs/dbraw/zinc/38/89/38/491388938.db2.gz YDPSKGGOKZGTOL-OLZOCXBDSA-N 2 2 362.821 0.441 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000557702801 491391794 /nfs/dbraw/zinc/39/17/94/491391794.db2.gz BRPQSQVSRORHKR-HUUCEWRRSA-N 2 2 366.506 0.202 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557703606 491392410 /nfs/dbraw/zinc/39/24/10/491392410.db2.gz FCWKWLVYYFRUQL-HRCADAONSA-N 2 2 354.495 0.060 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000557703606 491392412 /nfs/dbraw/zinc/39/24/12/491392412.db2.gz FCWKWLVYYFRUQL-HRCADAONSA-N 2 2 354.495 0.060 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000557743305 491395565 /nfs/dbraw/zinc/39/55/65/491395565.db2.gz WERZMECVYQJTQB-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000557743305 491395567 /nfs/dbraw/zinc/39/55/67/491395567.db2.gz WERZMECVYQJTQB-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC000557743305 491395568 /nfs/dbraw/zinc/39/55/68/491395568.db2.gz WERZMECVYQJTQB-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC000557743305 491395570 /nfs/dbraw/zinc/39/55/70/491395570.db2.gz WERZMECVYQJTQB-CVEARBPZSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000565833702 491402391 /nfs/dbraw/zinc/40/23/91/491402391.db2.gz PSJLEMRDQNGQGR-MSOLQXFVSA-N 2 2 356.470 0.541 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000572951409 491403172 /nfs/dbraw/zinc/40/31/72/491403172.db2.gz NPUOJOBMEPCALR-SQNIBIBYSA-N 2 2 356.470 0.570 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000572951409 491403175 /nfs/dbraw/zinc/40/31/75/491403175.db2.gz NPUOJOBMEPCALR-SQNIBIBYSA-N 2 2 356.470 0.570 20 0 FCADLP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000572975356 491404999 /nfs/dbraw/zinc/40/49/99/491404999.db2.gz FUGFLDINNLMGCT-KRWDZBQOSA-N 3 2 363.506 0.801 20 0 FCADLP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000572975356 491405001 /nfs/dbraw/zinc/40/50/01/491405001.db2.gz FUGFLDINNLMGCT-KRWDZBQOSA-N 3 2 363.506 0.801 20 0 FCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573088611 491411776 /nfs/dbraw/zinc/41/17/76/491411776.db2.gz RYLJGPKFSQGDAB-GOEBONIOSA-N 2 2 372.469 0.592 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000558089126 491412772 /nfs/dbraw/zinc/41/27/72/491412772.db2.gz WCXWMEPDGJVCLP-AWEZNQCLSA-N 2 2 364.494 0.082 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000558089126 491412773 /nfs/dbraw/zinc/41/27/73/491412773.db2.gz WCXWMEPDGJVCLP-AWEZNQCLSA-N 2 2 364.494 0.082 20 0 FCADLP O=C(C[N@@H+]1CCC[C@]12CCNC2=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573105569 491413109 /nfs/dbraw/zinc/41/31/09/491413109.db2.gz MDRBQGSQHWMZJZ-HXUWFJFHSA-N 2 2 372.469 0.812 20 0 FCADLP O=C(C[N@H+]1CCC[C@]12CCNC2=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573105569 491413111 /nfs/dbraw/zinc/41/31/11/491413111.db2.gz MDRBQGSQHWMZJZ-HXUWFJFHSA-N 2 2 372.469 0.812 20 0 FCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000566069220 491415640 /nfs/dbraw/zinc/41/56/40/491415640.db2.gz AIVKIMZMLNAFHO-UHFFFAOYSA-N 2 2 372.473 0.911 20 0 FCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573197563 491418142 /nfs/dbraw/zinc/41/81/42/491418142.db2.gz JBXKIQCDIZRZFT-IPMKNSEASA-N 2 2 360.502 0.858 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000573197559 491418569 /nfs/dbraw/zinc/41/85/69/491418569.db2.gz IBLOPENVXYCZRR-WBVHZDCISA-N 2 2 366.531 0.710 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)C1=O ZINC000566137431 491419929 /nfs/dbraw/zinc/41/99/29/491419929.db2.gz PARAULSIRSRYRL-OAHLLOKOSA-N 2 2 369.429 0.087 20 0 FCADLP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573320637 491425999 /nfs/dbraw/zinc/42/59/99/491425999.db2.gz BVEOGIREPLBMHO-IRXDYDNUSA-N 2 2 366.506 0.333 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573322816 491426070 /nfs/dbraw/zinc/42/60/70/491426070.db2.gz DCKQEBPPYVXTCE-CRAIPNDOSA-N 2 2 354.495 0.188 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573322816 491426072 /nfs/dbraw/zinc/42/60/72/491426072.db2.gz DCKQEBPPYVXTCE-CRAIPNDOSA-N 2 2 354.495 0.188 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428729 491432361 /nfs/dbraw/zinc/43/23/61/491432361.db2.gz RNMJTXPDVNJKCF-MOPGFXCFSA-N 2 2 360.502 0.722 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000573428729 491432362 /nfs/dbraw/zinc/43/23/62/491432362.db2.gz RNMJTXPDVNJKCF-MOPGFXCFSA-N 2 2 360.502 0.722 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC000558523490 491434362 /nfs/dbraw/zinc/43/43/62/491434362.db2.gz WGCYTWUGOOJECO-UHFFFAOYSA-N 2 2 361.490 0.755 20 0 FCADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351444 491439042 /nfs/dbraw/zinc/43/90/42/491439042.db2.gz IFOQTXVXXWLRON-KRWDZBQOSA-N 2 2 372.513 0.697 20 0 FCADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)NC1C[NH2+]C1 ZINC000573783455 491454746 /nfs/dbraw/zinc/45/47/46/491454746.db2.gz ATTKOMIAGKJQNL-UHFFFAOYSA-N 2 2 356.224 0.774 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494530 491448540 /nfs/dbraw/zinc/44/85/40/491448540.db2.gz AGBAEAVDGYELOB-ZOCIIQOWSA-N 2 2 370.497 0.986 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000566494530 491448541 /nfs/dbraw/zinc/44/85/41/491448541.db2.gz AGBAEAVDGYELOB-ZOCIIQOWSA-N 2 2 370.497 0.986 20 0 FCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707027 491449785 /nfs/dbraw/zinc/44/97/85/491449785.db2.gz DNUCXXLTJRBREI-RHSMWYFYSA-N 2 2 368.503 0.487 20 0 FCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000573707027 491449787 /nfs/dbraw/zinc/44/97/87/491449787.db2.gz DNUCXXLTJRBREI-RHSMWYFYSA-N 2 2 368.503 0.487 20 0 FCADLP C[N@H+](C[C@@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1)C1CC1 ZINC000566589863 491455306 /nfs/dbraw/zinc/45/53/06/491455306.db2.gz ODQIVAHMCRBYSS-GOSISDBHSA-N 2 2 352.523 0.508 20 0 FCADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1)C1CC1 ZINC000566589863 491455307 /nfs/dbraw/zinc/45/53/07/491455307.db2.gz ODQIVAHMCRBYSS-GOSISDBHSA-N 2 2 352.523 0.508 20 0 FCADLP Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)O2)n1 ZINC000566614851 491456322 /nfs/dbraw/zinc/45/63/22/491456322.db2.gz BCBKPZPPVKMCAN-IPQWEPCOSA-N 2 2 354.451 0.658 20 0 FCADLP Cc1noc([C@@H]2CC[C@H](C[NH2+]C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)O2)n1 ZINC000566614851 491456323 /nfs/dbraw/zinc/45/63/23/491456323.db2.gz BCBKPZPPVKMCAN-IPQWEPCOSA-N 2 2 354.451 0.658 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000573843268 491458755 /nfs/dbraw/zinc/45/87/55/491458755.db2.gz KHPSHQUMKYZOGH-QGZVFWFLSA-N 2 2 359.474 0.246 20 0 FCADLP C[N@H+]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000573843268 491458756 /nfs/dbraw/zinc/45/87/56/491458756.db2.gz KHPSHQUMKYZOGH-QGZVFWFLSA-N 2 2 359.474 0.246 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccnc(N3CCOCC3)c2)C[C@@H](C)O1 ZINC000566673698 491459452 /nfs/dbraw/zinc/45/94/52/491459452.db2.gz XJRAMZGSWIOTEY-JFIYKMOQSA-N 2 2 364.490 0.478 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCCN(CCO)C3=O)c2cc1C ZINC000573920669 491463075 /nfs/dbraw/zinc/46/30/75/491463075.db2.gz SWTCFAZMGNONJE-HOTGVXAUSA-N 2 2 360.458 0.587 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566732751 491463330 /nfs/dbraw/zinc/46/33/30/491463330.db2.gz DLNNGGLFASJOFL-CLCXKQKWSA-N 2 2 372.473 0.150 20 0 FCADLP O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566732751 491463331 /nfs/dbraw/zinc/46/33/31/491463331.db2.gz DLNNGGLFASJOFL-CLCXKQKWSA-N 2 2 372.473 0.150 20 0 FCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000574023729 491469611 /nfs/dbraw/zinc/46/96/11/491469611.db2.gz MNVLAOAKRIZLQR-ROUUACIJSA-N 2 2 362.474 0.737 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC1C2CC3CC(C2)CC1C3 ZINC000574040687 491470937 /nfs/dbraw/zinc/47/09/37/491470937.db2.gz VOJXSQNUJJADFL-OSGAYYLLSA-N 2 2 374.529 0.824 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC1C2CC3CC(C2)CC1C3 ZINC000574040687 491470939 /nfs/dbraw/zinc/47/09/39/491470939.db2.gz VOJXSQNUJJADFL-OSGAYYLLSA-N 2 2 374.529 0.824 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCn4c[nH+]cc4C3)ccn2)CC1 ZINC000574124038 491476022 /nfs/dbraw/zinc/47/60/22/491476022.db2.gz MTQNUPJGYXPJDY-UHFFFAOYSA-N 2 2 369.429 0.713 20 0 FCADLP COc1cc(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc(OC)c1 ZINC000574179871 491479089 /nfs/dbraw/zinc/47/90/89/491479089.db2.gz JZZOQNXZBOECKU-PIIMJCKOSA-N 2 2 360.458 0.749 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000574181219 491479652 /nfs/dbraw/zinc/47/96/52/491479652.db2.gz XCINVQZHHOPLAY-SFHVURJKSA-N 2 2 373.501 0.135 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549648 491480136 /nfs/dbraw/zinc/48/01/36/491480136.db2.gz HQDKODYZVWACBF-UXLLHSPISA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000559549648 491480137 /nfs/dbraw/zinc/48/01/37/491480137.db2.gz HQDKODYZVWACBF-UXLLHSPISA-N 2 2 366.506 0.201 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000559550891 491480312 /nfs/dbraw/zinc/48/03/12/491480312.db2.gz ZLGDHMPSAYPKQY-MRXNPFEDSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCc3ccc(O)cc3)CC2)CC1 ZINC000559595598 491484228 /nfs/dbraw/zinc/48/42/28/491484228.db2.gz CQZSJKCLHBAUKF-UHFFFAOYSA-N 2 2 374.485 0.683 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574286284 491486650 /nfs/dbraw/zinc/48/66/50/491486650.db2.gz FPGSXPAPLNJCSF-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574286284 491486651 /nfs/dbraw/zinc/48/66/51/491486651.db2.gz FPGSXPAPLNJCSF-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C[C@H]1C ZINC000574286284 491486654 /nfs/dbraw/zinc/48/66/54/491486654.db2.gz FPGSXPAPLNJCSF-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000574286284 491486656 /nfs/dbraw/zinc/48/66/56/491486656.db2.gz FPGSXPAPLNJCSF-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1)[NH+]1CC(C)C1 ZINC000567122640 491487202 /nfs/dbraw/zinc/48/72/02/491487202.db2.gz NCVXVNUEHDZVON-AWEZNQCLSA-N 2 2 368.503 0.805 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000559754946 491496016 /nfs/dbraw/zinc/49/60/16/491496016.db2.gz GNVFOQAWKUOFHH-CABCVRRESA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000559754947 491496082 /nfs/dbraw/zinc/49/60/82/491496082.db2.gz GNVFOQAWKUOFHH-GJZGRUSLSA-N 2 2 354.495 0.012 20 0 FCADLP CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC([NH3+])CC2)c(=O)[nH]c1=O ZINC000567271800 491496207 /nfs/dbraw/zinc/49/62/07/491496207.db2.gz VRMDBWPREDNRPZ-UHFFFAOYSA-N 2 2 366.466 0.107 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000559780649 491499433 /nfs/dbraw/zinc/49/94/33/491499433.db2.gz PXNBKCHPCFDEHD-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000559780649 491499434 /nfs/dbraw/zinc/49/94/34/491499434.db2.gz PXNBKCHPCFDEHD-JKSUJKDBSA-N 2 2 354.495 0.156 20 0 FCADLP Cc1cc(NC(=O)CN2CC[NH2+]CC2=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000567350426 491501010 /nfs/dbraw/zinc/50/10/10/491501010.db2.gz GGKQMNCMZODCNH-UHFFFAOYSA-N 2 2 373.501 0.896 20 0 FCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000574505649 491501144 /nfs/dbraw/zinc/50/11/44/491501144.db2.gz PMFKYBDVAYIJDR-HOCLYGCPSA-N 2 2 359.474 0.431 20 0 FCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000574505649 491501146 /nfs/dbraw/zinc/50/11/46/491501146.db2.gz PMFKYBDVAYIJDR-HOCLYGCPSA-N 2 2 359.474 0.431 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@@H](C[NH3+])C1 ZINC000574504210 491501184 /nfs/dbraw/zinc/50/11/84/491501184.db2.gz VFTIOKRVOTVHPE-KRWDZBQOSA-N 3 2 367.538 0.553 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@@H](C[NH3+])C1 ZINC000574504210 491501187 /nfs/dbraw/zinc/50/11/87/491501187.db2.gz VFTIOKRVOTVHPE-KRWDZBQOSA-N 3 2 367.538 0.553 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000574503817 491501256 /nfs/dbraw/zinc/50/12/56/491501256.db2.gz CLCHKSJWFKOJAL-HNNXBMFYSA-N 2 2 354.495 0.494 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000574503817 491501259 /nfs/dbraw/zinc/50/12/59/491501259.db2.gz CLCHKSJWFKOJAL-HNNXBMFYSA-N 2 2 354.495 0.494 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524432 491502452 /nfs/dbraw/zinc/50/24/52/491502452.db2.gz AEARCUXCOKTODD-IRXDYDNUSA-N 2 2 361.490 0.877 20 0 FCADLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C1CCOCC1 ZINC000574524432 491502454 /nfs/dbraw/zinc/50/24/54/491502454.db2.gz AEARCUXCOKTODD-IRXDYDNUSA-N 2 2 361.490 0.877 20 0 FCADLP CN(C)c1noc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000559845360 491504832 /nfs/dbraw/zinc/50/48/32/491504832.db2.gz MSQGHJXXOYZXTI-UHFFFAOYSA-N 2 2 353.471 0.303 20 0 FCADLP CN(C)c1noc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000559845360 491504835 /nfs/dbraw/zinc/50/48/35/491504835.db2.gz MSQGHJXXOYZXTI-UHFFFAOYSA-N 2 2 353.471 0.303 20 0 FCADLP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000574572423 491506020 /nfs/dbraw/zinc/50/60/20/491506020.db2.gz TWZHJOMNUXQDCZ-QZTJIDSGSA-N 2 2 356.470 0.399 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1(C)C ZINC000574630143 491509436 /nfs/dbraw/zinc/50/94/36/491509436.db2.gz PSVATDZNWOKYKD-UHFFFAOYSA-N 2 2 353.511 0.176 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1(C)C ZINC000574630143 491509437 /nfs/dbraw/zinc/50/94/37/491509437.db2.gz PSVATDZNWOKYKD-UHFFFAOYSA-N 2 2 353.511 0.176 20 0 FCADLP CCNc1nc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000567533619 491512167 /nfs/dbraw/zinc/51/21/67/491512167.db2.gz PMEGSYSFIWGLGF-STQMWFEESA-N 2 2 351.499 0.879 20 0 FCADLP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)COC1C[NH2+]C1)CC2 ZINC000574689781 491513619 /nfs/dbraw/zinc/51/36/19/491513619.db2.gz UNXWBOMLRXOERL-AWEZNQCLSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000567607411 491517740 /nfs/dbraw/zinc/51/77/40/491517740.db2.gz QNEPWUDTPQOMQK-JKSUJKDBSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000567607411 491517742 /nfs/dbraw/zinc/51/77/42/491517742.db2.gz QNEPWUDTPQOMQK-JKSUJKDBSA-N 2 2 362.478 0.773 20 0 FCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567624784 491518761 /nfs/dbraw/zinc/51/87/61/491518761.db2.gz FBWHIPMPGVLHOR-MRXNPFEDSA-N 2 2 364.515 0.945 20 0 FCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567624784 491518763 /nfs/dbraw/zinc/51/87/63/491518763.db2.gz FBWHIPMPGVLHOR-MRXNPFEDSA-N 2 2 364.515 0.945 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000567691562 491523217 /nfs/dbraw/zinc/52/32/17/491523217.db2.gz ZOECEGVDKARYDN-IAGOWNOFSA-N 2 2 350.463 0.220 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000567691562 491523218 /nfs/dbraw/zinc/52/32/18/491523218.db2.gz ZOECEGVDKARYDN-IAGOWNOFSA-N 2 2 350.463 0.220 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000567716825 491524733 /nfs/dbraw/zinc/52/47/33/491524733.db2.gz JSJRCFVLZQXGNM-IRXDYDNUSA-N 2 2 373.501 0.134 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567736042 491525921 /nfs/dbraw/zinc/52/59/21/491525921.db2.gz CCTQIIYIWIBMNF-HZPDHXFCSA-N 3 2 361.490 0.752 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000574982694 491531687 /nfs/dbraw/zinc/53/16/87/491531687.db2.gz HSSCQCYRSGBYOB-LSDHHAIUSA-N 2 2 361.442 0.201 20 0 FCADLP O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000574988031 491532063 /nfs/dbraw/zinc/53/20/63/491532063.db2.gz CZQBQDUIZBBLAO-QAPCUYQASA-N 2 2 368.441 0.644 20 0 FCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567881306 491537819 /nfs/dbraw/zinc/53/78/19/491537819.db2.gz VZNHMZXHSDNNQZ-HZPDHXFCSA-N 2 2 361.490 0.167 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)CNCC2([NH+]3CCCC3)CCOCC2)C[C@@H](C)O1 ZINC000575174434 491543715 /nfs/dbraw/zinc/54/37/15/491543715.db2.gz FFNSRWDYSRUGBY-KZNAEPCWSA-N 2 2 355.523 0.691 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000567991454 491545721 /nfs/dbraw/zinc/54/57/21/491545721.db2.gz UCAYUDGGXJMQRH-PMACEKPBSA-N 2 2 374.529 0.547 20 0 FCADLP Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000575308725 491547883 /nfs/dbraw/zinc/54/78/83/491547883.db2.gz GBOUYTDHWDUEPD-HNNXBMFYSA-N 2 2 368.503 0.073 20 0 FCADLP Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000575308725 491547884 /nfs/dbraw/zinc/54/78/84/491547884.db2.gz GBOUYTDHWDUEPD-HNNXBMFYSA-N 2 2 368.503 0.073 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000560669413 491551463 /nfs/dbraw/zinc/55/14/63/491551463.db2.gz WDKOIHJGTQVQQK-OAHLLOKOSA-N 3 2 367.538 0.118 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000575376986 491551786 /nfs/dbraw/zinc/55/17/86/491551786.db2.gz BYVCZBQEKSTSFS-IXDOHACOSA-N 2 2 357.539 0.936 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000575376986 491551787 /nfs/dbraw/zinc/55/17/87/491551787.db2.gz BYVCZBQEKSTSFS-IXDOHACOSA-N 2 2 357.539 0.936 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000575401773 491552249 /nfs/dbraw/zinc/55/22/49/491552249.db2.gz MJVMARCZHQBCNM-QFBILLFUSA-N 2 2 370.497 0.856 20 0 FCADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000575401773 491552250 /nfs/dbraw/zinc/55/22/50/491552250.db2.gz MJVMARCZHQBCNM-QFBILLFUSA-N 2 2 370.497 0.856 20 0 FCADLP COc1ccc(CN2C[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000568086171 491552520 /nfs/dbraw/zinc/55/25/20/491552520.db2.gz HSFBGMWBAPYJPB-HOTGVXAUSA-N 2 2 360.458 0.145 20 0 FCADLP COc1ccc(CN2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)cc1 ZINC000568086171 491552522 /nfs/dbraw/zinc/55/25/22/491552522.db2.gz HSFBGMWBAPYJPB-HOTGVXAUSA-N 2 2 360.458 0.145 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C(C)C)cc1 ZINC000575430845 491554208 /nfs/dbraw/zinc/55/42/08/491554208.db2.gz LSVOTZUGBYQAKR-HHXXYDBFSA-N 2 2 374.485 0.752 20 0 FCADLP COc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C(C)C)cc1 ZINC000575430845 491554210 /nfs/dbraw/zinc/55/42/10/491554210.db2.gz LSVOTZUGBYQAKR-HHXXYDBFSA-N 2 2 374.485 0.752 20 0 FCADLP CN1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1=O ZINC000568176700 491557329 /nfs/dbraw/zinc/55/73/29/491557329.db2.gz CHBPAIHKKMAINZ-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP CN1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1=O ZINC000568176700 491557332 /nfs/dbraw/zinc/55/73/32/491557332.db2.gz CHBPAIHKKMAINZ-INIZCTEOSA-N 2 2 364.515 0.945 20 0 FCADLP COC[C@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000560874747 491561550 /nfs/dbraw/zinc/56/15/50/491561550.db2.gz OZULESSMGZWCBQ-KRWDZBQOSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCO1 ZINC000575813632 491562678 /nfs/dbraw/zinc/56/26/78/491562678.db2.gz AATWJDQNZWPZGC-CYBMUJFWSA-N 2 2 360.462 0.875 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCO1 ZINC000575813632 491562680 /nfs/dbraw/zinc/56/26/80/491562680.db2.gz AATWJDQNZWPZGC-CYBMUJFWSA-N 2 2 360.462 0.875 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCO1 ZINC000575813633 491562841 /nfs/dbraw/zinc/56/28/41/491562841.db2.gz AATWJDQNZWPZGC-ZDUSSCGKSA-N 2 2 360.462 0.875 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCO1 ZINC000575813633 491562843 /nfs/dbraw/zinc/56/28/43/491562843.db2.gz AATWJDQNZWPZGC-ZDUSSCGKSA-N 2 2 360.462 0.875 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561010756 491569666 /nfs/dbraw/zinc/56/96/66/491569666.db2.gz JBMFDYLDZLUPEU-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000561010756 491569668 /nfs/dbraw/zinc/56/96/68/491569668.db2.gz JBMFDYLDZLUPEU-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000575916462 491569960 /nfs/dbraw/zinc/56/99/60/491569960.db2.gz IXWSNIYWECGHMI-IJEWVQPXSA-N 2 2 356.488 0.650 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC000576040959 491577722 /nfs/dbraw/zinc/57/77/22/491577722.db2.gz ZZVCQIKXWIQYTK-GUDVDZBRSA-N 2 2 370.497 0.917 20 0 FCADLP CCOC(=O)c1csc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000568502749 491580790 /nfs/dbraw/zinc/58/07/90/491580790.db2.gz ZQMUZZITUHGCTI-MJBXVCDLSA-N 2 2 371.503 0.922 20 0 FCADLP CCOC(=O)c1csc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000568502749 491580792 /nfs/dbraw/zinc/58/07/92/491580792.db2.gz ZQMUZZITUHGCTI-MJBXVCDLSA-N 2 2 371.503 0.922 20 0 FCADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C1CC1)[NH+]1CC(C)C1 ZINC000561215467 491584070 /nfs/dbraw/zinc/58/40/70/491584070.db2.gz MZDBQQNQPLKQDS-INMHGKMJSA-N 2 2 350.507 0.678 20 0 FCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000568542181 491585457 /nfs/dbraw/zinc/58/54/57/491585457.db2.gz MFUACUHGDIFULM-IRXDYDNUSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568565947 491586976 /nfs/dbraw/zinc/58/69/76/491586976.db2.gz ZQJHLPKGMIYYME-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568565947 491586978 /nfs/dbraw/zinc/58/69/78/491586978.db2.gz ZQJHLPKGMIYYME-WBVHZDCISA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000584413529 491588492 /nfs/dbraw/zinc/58/84/92/491588492.db2.gz YHIYKMKATATXAM-RDTXWAMCSA-N 2 2 356.470 0.685 20 0 FCADLP COC(=O)c1ccc(OCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000584427564 491591273 /nfs/dbraw/zinc/59/12/73/491591273.db2.gz BLIJTUCGRYQZJD-ZOBUZTSGSA-N 2 2 366.458 0.912 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000577122696 491593337 /nfs/dbraw/zinc/59/33/37/491593337.db2.gz WKGMCLSPXXLTTH-SFHVURJKSA-N 2 2 367.465 0.959 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000577122696 491593340 /nfs/dbraw/zinc/59/33/40/491593340.db2.gz WKGMCLSPXXLTTH-SFHVURJKSA-N 2 2 367.465 0.959 20 0 FCADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000568626058 491593956 /nfs/dbraw/zinc/59/39/56/491593956.db2.gz NLMJDEQGOVHIJE-SJORKVTESA-N 2 2 350.507 0.955 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000673652080 493353703 /nfs/dbraw/zinc/35/37/03/493353703.db2.gz YMWXOLVRFGBBOK-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000673652080 493353705 /nfs/dbraw/zinc/35/37/05/493353705.db2.gz YMWXOLVRFGBBOK-KRWDZBQOSA-N 2 2 360.458 0.733 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000561337699 491598098 /nfs/dbraw/zinc/59/80/98/491598098.db2.gz QDDKBORQAGQUQY-PMPSAXMXSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000561337699 491598101 /nfs/dbraw/zinc/59/81/01/491598101.db2.gz QDDKBORQAGQUQY-PMPSAXMXSA-N 2 2 354.495 0.010 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280336 491601150 /nfs/dbraw/zinc/60/11/50/491601150.db2.gz KDRGUUMKBFZCTM-JKSUJKDBSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(=O)N1CCCCC1 ZINC000576280336 491601154 /nfs/dbraw/zinc/60/11/54/491601154.db2.gz KDRGUUMKBFZCTM-JKSUJKDBSA-N 2 2 366.506 0.191 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000561366973 491602250 /nfs/dbraw/zinc/60/22/50/491602250.db2.gz ALTAZZVCOZOIMS-BBWFWOEESA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473122 493354657 /nfs/dbraw/zinc/35/46/57/493354657.db2.gz OYSGTHKUUGGBIB-IXDOHACOSA-N 2 2 366.506 0.286 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473122 493354658 /nfs/dbraw/zinc/35/46/58/493354658.db2.gz OYSGTHKUUGGBIB-IXDOHACOSA-N 2 2 366.506 0.286 20 0 FCADLP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1OC ZINC000568748680 491606102 /nfs/dbraw/zinc/60/61/02/491606102.db2.gz DRGDLPMOQPSREK-HUUCEWRRSA-N 2 2 363.458 0.870 20 0 FCADLP COc1cc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1OC ZINC000568748680 491606103 /nfs/dbraw/zinc/60/61/03/491606103.db2.gz DRGDLPMOQPSREK-HUUCEWRRSA-N 2 2 363.458 0.870 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561425979 491606955 /nfs/dbraw/zinc/60/69/55/491606955.db2.gz OEZVTTNPUHTHTJ-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000561425979 491606958 /nfs/dbraw/zinc/60/69/58/491606958.db2.gz OEZVTTNPUHTHTJ-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576416234 491613396 /nfs/dbraw/zinc/61/33/96/491613396.db2.gz NMOHDGHGGZBKBK-HNNXBMFYSA-N 2 2 370.461 0.059 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000561536464 491615163 /nfs/dbraw/zinc/61/51/63/491615163.db2.gz HAZCYWMJIXEOLI-GJZGRUSLSA-N 2 2 362.478 0.758 20 0 FCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000561536464 491615167 /nfs/dbraw/zinc/61/51/67/491615167.db2.gz HAZCYWMJIXEOLI-GJZGRUSLSA-N 2 2 362.478 0.758 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396949 491618785 /nfs/dbraw/zinc/61/87/85/491618785.db2.gz UWRQSKAHIAGCPF-QWHCGFSZSA-N 2 2 365.478 0.027 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396949 491618788 /nfs/dbraw/zinc/61/87/88/491618788.db2.gz UWRQSKAHIAGCPF-QWHCGFSZSA-N 2 2 365.478 0.027 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568976752 491623843 /nfs/dbraw/zinc/62/38/43/491623843.db2.gz GMGQIDLPMBSCLC-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568976752 491623845 /nfs/dbraw/zinc/62/38/45/491623845.db2.gz GMGQIDLPMBSCLC-NUJGCVRESA-N 2 2 374.485 0.212 20 0 FCADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000577494499 491626217 /nfs/dbraw/zinc/62/62/17/491626217.db2.gz XLNJVJBNFVNLBQ-LSDHHAIUSA-N 2 2 363.849 0.355 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@@H](C)O1 ZINC000569071314 491631151 /nfs/dbraw/zinc/63/11/51/491631151.db2.gz RQFUXNXQODKCNJ-NNIGNNQHSA-N 2 2 355.523 0.690 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C[C@@H](C)O1 ZINC000569071313 491631249 /nfs/dbraw/zinc/63/12/49/491631249.db2.gz RQFUXNXQODKCNJ-FVVUREQNSA-N 2 2 355.523 0.690 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000576626686 491631314 /nfs/dbraw/zinc/63/13/14/491631314.db2.gz FGIKPDHTQGDDGE-NXHRZFHOSA-N 2 2 371.485 0.497 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000561812763 491631882 /nfs/dbraw/zinc/63/18/82/491631882.db2.gz KLPMCVZSVBQWCJ-CHWSQXEVSA-N 2 2 350.467 0.043 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1C ZINC000561812763 491631887 /nfs/dbraw/zinc/63/18/87/491631887.db2.gz KLPMCVZSVBQWCJ-CHWSQXEVSA-N 2 2 350.467 0.043 20 0 FCADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000577612432 491636343 /nfs/dbraw/zinc/63/63/43/491636343.db2.gz WLFXGICYORFPQO-QGZVFWFLSA-N 2 2 360.458 0.380 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704239 491637486 /nfs/dbraw/zinc/63/74/86/491637486.db2.gz CCNNMIRJNXVZMN-PKOBYXMFSA-N 2 2 370.497 0.967 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000576704239 491637488 /nfs/dbraw/zinc/63/74/88/491637488.db2.gz CCNNMIRJNXVZMN-PKOBYXMFSA-N 2 2 370.497 0.967 20 0 FCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)C2 ZINC000576736916 491640546 /nfs/dbraw/zinc/64/05/46/491640546.db2.gz VGYRFWXMKJQPHD-SJLPKXTDSA-N 2 2 362.474 0.704 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1=CC[NH+](C)CC1 ZINC000576790058 491644844 /nfs/dbraw/zinc/64/48/44/491644844.db2.gz RRLFXWQTCNYXLT-OAHLLOKOSA-N 2 2 366.506 0.322 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@H+](C)CC1 ZINC000576790058 491644846 /nfs/dbraw/zinc/64/48/46/491644846.db2.gz RRLFXWQTCNYXLT-OAHLLOKOSA-N 2 2 366.506 0.322 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000576790058 491644849 /nfs/dbraw/zinc/64/48/49/491644849.db2.gz RRLFXWQTCNYXLT-OAHLLOKOSA-N 2 2 366.506 0.322 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000577727198 491646708 /nfs/dbraw/zinc/64/67/08/491646708.db2.gz PFZAIHWDACCDFZ-UHFFFAOYSA-N 2 2 362.474 0.251 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)C[N@@H+]1C1CC1 ZINC000577779646 491652160 /nfs/dbraw/zinc/65/21/60/491652160.db2.gz QXSFCRSWIFQCEP-XJIUQZFPSA-N 2 2 374.489 0.864 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)C[N@H+]1C1CC1 ZINC000577779646 491652163 /nfs/dbraw/zinc/65/21/63/491652163.db2.gz QXSFCRSWIFQCEP-XJIUQZFPSA-N 2 2 374.489 0.864 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000569456231 491662898 /nfs/dbraw/zinc/66/28/98/491662898.db2.gz WPJBPJFPGYFDDX-HRCADAONSA-N 2 2 353.442 0.169 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000577928903 491663576 /nfs/dbraw/zinc/66/35/76/491663576.db2.gz BSQONKNIPPXLJF-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000577928903 491663580 /nfs/dbraw/zinc/66/35/80/491663580.db2.gz BSQONKNIPPXLJF-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000577928903 491663583 /nfs/dbraw/zinc/66/35/83/491663583.db2.gz BSQONKNIPPXLJF-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000577928903 491663585 /nfs/dbraw/zinc/66/35/85/491663585.db2.gz BSQONKNIPPXLJF-HZPDHXFCSA-N 2 2 354.495 0.602 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000578006001 491667456 /nfs/dbraw/zinc/66/74/56/491667456.db2.gz LREJDMJNRTULNQ-GJZGRUSLSA-N 2 2 359.465 0.653 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000578122384 491670400 /nfs/dbraw/zinc/67/04/00/491670400.db2.gz AMCXJUKGGGUWBA-HOTGVXAUSA-N 2 2 354.495 0.047 20 0 FCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000578441383 491677338 /nfs/dbraw/zinc/67/73/38/491677338.db2.gz RRDUOAYNHFSUSE-ZDUSSCGKSA-N 2 2 373.238 0.935 20 0 FCADLP C[N@H+]1CCN(C(=O)Cc2ccc(I)cc2)[C@@H](C[NH3+])C1 ZINC000578441383 491677339 /nfs/dbraw/zinc/67/73/39/491677339.db2.gz RRDUOAYNHFSUSE-ZDUSSCGKSA-N 2 2 373.238 0.935 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000578730428 491683104 /nfs/dbraw/zinc/68/31/04/491683104.db2.gz BAABRKDDOGVMMP-HOCLYGCPSA-N 2 2 365.522 0.759 20 0 FCADLP C[C@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000578763313 491683809 /nfs/dbraw/zinc/68/38/09/491683809.db2.gz TWZGQTXFVIAVRS-MSOLQXFVSA-N 2 2 361.486 0.911 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CCN2C1=O ZINC000579026246 491689571 /nfs/dbraw/zinc/68/95/71/491689571.db2.gz UEHNANHHMJPESL-ZACQAIPSSA-N 2 2 374.510 0.547 20 0 FCADLP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000579227881 491693390 /nfs/dbraw/zinc/69/33/90/491693390.db2.gz LJTWBAZBDMWLEY-IBGZPJMESA-N 3 2 359.518 0.690 20 0 FCADLP C[N@H+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000579227881 491693391 /nfs/dbraw/zinc/69/33/91/491693391.db2.gz LJTWBAZBDMWLEY-IBGZPJMESA-N 3 2 359.518 0.690 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000579429361 491697750 /nfs/dbraw/zinc/69/77/50/491697750.db2.gz PTCFOQXUIDGFHC-FQEVSTJZSA-N 2 2 359.470 0.604 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000579429361 491697751 /nfs/dbraw/zinc/69/77/51/491697751.db2.gz PTCFOQXUIDGFHC-FQEVSTJZSA-N 2 2 359.470 0.604 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434163 491697836 /nfs/dbraw/zinc/69/78/36/491697836.db2.gz AYJGUMNSAIVTJE-HZPDHXFCSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434163 491697837 /nfs/dbraw/zinc/69/78/37/491697837.db2.gz AYJGUMNSAIVTJE-HZPDHXFCSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434163 491697838 /nfs/dbraw/zinc/69/78/38/491697838.db2.gz AYJGUMNSAIVTJE-HZPDHXFCSA-N 2 2 350.463 0.010 20 0 FCADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H]3CC(=O)N(C)C3=O)C2)CC1 ZINC000579434163 491697839 /nfs/dbraw/zinc/69/78/39/491697839.db2.gz AYJGUMNSAIVTJE-HZPDHXFCSA-N 2 2 350.463 0.010 20 0 FCADLP O=C(c1ccccc1OC(F)F)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000579593653 491701157 /nfs/dbraw/zinc/70/11/57/491701157.db2.gz ZHSQJEOMWMNKSN-UHFFFAOYSA-N 2 2 368.428 0.951 20 0 FCADLP Cc1cccc2[nH+]c(CNC(=O)C3(S(C)(=O)=O)CC[NH2+]CC3)cn21 ZINC000579598233 491701362 /nfs/dbraw/zinc/70/13/62/491701362.db2.gz WENCASUAMANMAU-UHFFFAOYSA-N 2 2 350.444 0.426 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1n1cccn1 ZINC000579704942 491703303 /nfs/dbraw/zinc/70/33/03/491703303.db2.gz ZTMBVCMHHJYODF-YPLQCARHSA-N 2 2 352.479 0.661 20 0 FCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1n1cccn1 ZINC000579704942 491703304 /nfs/dbraw/zinc/70/33/04/491703304.db2.gz ZTMBVCMHHJYODF-YPLQCARHSA-N 2 2 352.479 0.661 20 0 FCADLP Cn1c[nH+]cc1CCCN1CC[N@@H+](CCCc2c[nH+]cn2C)CC(O)C1 ZINC000579848963 491706738 /nfs/dbraw/zinc/70/67/38/491706738.db2.gz BCPUWJLXPSHOLD-UHFFFAOYSA-N 3 2 360.506 0.698 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000584663027 491709578 /nfs/dbraw/zinc/70/95/78/491709578.db2.gz RIEORMIDRJWXRH-MRXNPFEDSA-N 2 2 355.504 0.881 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000584663027 491709579 /nfs/dbraw/zinc/70/95/79/491709579.db2.gz RIEORMIDRJWXRH-MRXNPFEDSA-N 2 2 355.504 0.881 20 0 FCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579935485 491709650 /nfs/dbraw/zinc/70/96/50/491709650.db2.gz VQUKYBKQRJHFFV-GJZGRUSLSA-N 2 2 365.865 0.730 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000579935485 491709652 /nfs/dbraw/zinc/70/96/52/491709652.db2.gz VQUKYBKQRJHFFV-GJZGRUSLSA-N 2 2 365.865 0.730 20 0 FCADLP CN(CC(C)(C)CNC(=O)Cc1c[nH+]cn1C)C(=O)Cc1c[nH+]cn1C ZINC000584673465 491709830 /nfs/dbraw/zinc/70/98/30/491709830.db2.gz VDROFAUZROVINP-UHFFFAOYSA-N 2 2 360.462 0.540 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950041 491710773 /nfs/dbraw/zinc/71/07/73/491710773.db2.gz OOIGGZCMZZOBRG-MEDUHNTESA-N 2 2 355.385 0.966 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950041 491710774 /nfs/dbraw/zinc/71/07/74/491710774.db2.gz OOIGGZCMZZOBRG-MEDUHNTESA-N 2 2 355.385 0.966 20 0 FCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950040 491710796 /nfs/dbraw/zinc/71/07/96/491710796.db2.gz OOIGGZCMZZOBRG-BZNIZROVSA-N 2 2 355.385 0.966 20 0 FCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000579950040 491710798 /nfs/dbraw/zinc/71/07/98/491710798.db2.gz OOIGGZCMZZOBRG-BZNIZROVSA-N 2 2 355.385 0.966 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000584776604 491713932 /nfs/dbraw/zinc/71/39/32/491713932.db2.gz IGONWSVGOIUHCR-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000584776604 491713933 /nfs/dbraw/zinc/71/39/33/491713933.db2.gz IGONWSVGOIUHCR-INIZCTEOSA-N 2 2 355.527 0.375 20 0 FCADLP COc1ccc([C@H](CO)C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000580074071 491716341 /nfs/dbraw/zinc/71/63/41/491716341.db2.gz CIISZVNZPNZLQX-LMSBXDPUSA-N 2 2 352.475 0.831 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000580299763 491724762 /nfs/dbraw/zinc/72/47/62/491724762.db2.gz LAMZGYPEZOCPCD-ZDUSSCGKSA-N 2 2 362.400 0.799 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@H]3CCCO3)CC2)CC1 ZINC000580321686 491726103 /nfs/dbraw/zinc/72/61/03/491726103.db2.gz UPATVLFQZSWWBF-QGZVFWFLSA-N 2 2 359.536 0.987 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@H]3CCCO3)CC2)CC1 ZINC000580321686 491726105 /nfs/dbraw/zinc/72/61/05/491726105.db2.gz UPATVLFQZSWWBF-QGZVFWFLSA-N 2 2 359.536 0.987 20 0 FCADLP CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798989 493362883 /nfs/dbraw/zinc/36/28/83/493362883.db2.gz ZVTUQLPNDZALHV-IEBWSBKVSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000673798989 493362884 /nfs/dbraw/zinc/36/28/84/493362884.db2.gz ZVTUQLPNDZALHV-IEBWSBKVSA-N 2 2 350.507 0.872 20 0 FCADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000580647260 491739995 /nfs/dbraw/zinc/73/99/95/491739995.db2.gz PPYCIOLPNGPCTP-SFHVURJKSA-N 2 2 358.486 0.918 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)CC1 ZINC000580793157 491746213 /nfs/dbraw/zinc/74/62/13/491746213.db2.gz VWSVURIEBKWSOW-GOEBONIOSA-N 2 2 362.478 0.675 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889304 491750286 /nfs/dbraw/zinc/75/02/86/491750286.db2.gz WNSSGHWRAONNKN-FQEVSTJZSA-N 3 2 374.529 0.929 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000580889304 491750287 /nfs/dbraw/zinc/75/02/87/491750287.db2.gz WNSSGHWRAONNKN-FQEVSTJZSA-N 3 2 374.529 0.929 20 0 FCADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000580906128 491751637 /nfs/dbraw/zinc/75/16/37/491751637.db2.gz HGBSGBNFVCKCOG-UHFFFAOYSA-N 2 2 356.511 0.404 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000580942084 491752379 /nfs/dbraw/zinc/75/23/79/491752379.db2.gz CXJXSIKCYXRGOH-SFHVURJKSA-N 2 2 362.474 0.901 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000581126280 491760319 /nfs/dbraw/zinc/76/03/19/491760319.db2.gz BAUCLNNDUYDPHL-OWCLPIDISA-N 2 2 371.503 0.025 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000581126280 491760321 /nfs/dbraw/zinc/76/03/21/491760321.db2.gz BAUCLNNDUYDPHL-OWCLPIDISA-N 2 2 371.503 0.025 20 0 FCADLP O=C(NCCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000581240997 491765414 /nfs/dbraw/zinc/76/54/14/491765414.db2.gz NVQVXSGIICGFON-SJORKVTESA-N 2 2 364.490 0.172 20 0 FCADLP CNC(=O)[C@H](CCSC)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000581273605 491766656 /nfs/dbraw/zinc/76/66/56/491766656.db2.gz PUWOWLBBIWRVKO-AWEZNQCLSA-N 2 2 352.508 0.186 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000581665590 491781881 /nfs/dbraw/zinc/78/18/81/491781881.db2.gz ULIAYMLOCVSJAB-UHFFFAOYSA-N 2 2 361.490 0.841 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000581715759 491783878 /nfs/dbraw/zinc/78/38/78/491783878.db2.gz UHUMYSLPGMVFHB-OWLYRPNTSA-N 2 2 362.474 0.896 20 0 FCADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@@H]1Oc1ccccc1 ZINC000581715759 491783879 /nfs/dbraw/zinc/78/38/79/491783879.db2.gz UHUMYSLPGMVFHB-OWLYRPNTSA-N 2 2 362.474 0.896 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000581874608 491788203 /nfs/dbraw/zinc/78/82/03/491788203.db2.gz WKZVWVDBNDBZAZ-YLFCFFPRSA-N 2 2 366.506 0.250 20 0 FCADLP C[C@H](CCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000581904466 491789943 /nfs/dbraw/zinc/78/99/43/491789943.db2.gz NQJYDTBZTCAGHF-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000581992464 491793312 /nfs/dbraw/zinc/79/33/12/491793312.db2.gz NGIWSKJSRRBDMK-INIZCTEOSA-N 2 2 365.522 0.572 20 0 FCADLP CN(CC(=O)N1CCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000591030529 491794019 /nfs/dbraw/zinc/79/40/19/491794019.db2.gz FEIYTGGXGBCPTE-UHFFFAOYSA-N 2 2 365.522 0.809 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582063036 491796499 /nfs/dbraw/zinc/79/64/99/491796499.db2.gz MITRUSSIENLXFF-AGIUHOORSA-N 2 2 352.460 0.202 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582063036 491796500 /nfs/dbraw/zinc/79/65/00/491796500.db2.gz MITRUSSIENLXFF-AGIUHOORSA-N 2 2 352.460 0.202 20 0 FCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000582123174 491799111 /nfs/dbraw/zinc/79/91/11/491799111.db2.gz LIGKKCSEJNQVLR-QGZVFWFLSA-N 2 2 366.469 0.802 20 0 FCADLP COC(=O)CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000591282598 491800963 /nfs/dbraw/zinc/80/09/63/491800963.db2.gz BRGXVLFAZQIKPH-AWEZNQCLSA-N 2 2 350.419 0.735 20 0 FCADLP COC(=O)CCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000591282598 491800964 /nfs/dbraw/zinc/80/09/64/491800964.db2.gz BRGXVLFAZQIKPH-AWEZNQCLSA-N 2 2 350.419 0.735 20 0 FCADLP CCn1cc[nH+]c1CN(C(=O)CN1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000582302169 491806699 /nfs/dbraw/zinc/80/66/99/491806699.db2.gz HGABBXKKLHPHEI-INIZCTEOSA-N 2 2 361.490 0.706 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000582434561 491812614 /nfs/dbraw/zinc/81/26/14/491812614.db2.gz BJUKKUBNJBVNLR-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000582434561 491812616 /nfs/dbraw/zinc/81/26/16/491812616.db2.gz BJUKKUBNJBVNLR-BRWVUGGUSA-N 2 2 368.522 0.308 20 0 FCADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000591801407 491823603 /nfs/dbraw/zinc/82/36/03/491823603.db2.gz COCVADDZWLDNJO-MRXNPFEDSA-N 2 2 366.506 0.110 20 0 FCADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582847566 491829278 /nfs/dbraw/zinc/82/92/78/491829278.db2.gz WAOQFWOVWXRGFW-CYBMUJFWSA-N 2 2 360.462 0.325 20 0 FCADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582847566 491829280 /nfs/dbraw/zinc/82/92/80/491829280.db2.gz WAOQFWOVWXRGFW-CYBMUJFWSA-N 2 2 360.462 0.325 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000583264138 491841205 /nfs/dbraw/zinc/84/12/05/491841205.db2.gz MCEQFDLGEYDURJ-JYJNAYRXSA-N 2 2 357.520 0.344 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000583264138 491841206 /nfs/dbraw/zinc/84/12/06/491841206.db2.gz MCEQFDLGEYDURJ-JYJNAYRXSA-N 2 2 357.520 0.344 20 0 FCADLP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000583371487 491843455 /nfs/dbraw/zinc/84/34/55/491843455.db2.gz PXHDDQLWZRGCHC-ZIAGYGMSSA-N 2 2 374.411 0.893 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583527018 491846851 /nfs/dbraw/zinc/84/68/51/491846851.db2.gz KPVDKXHEAWNVBW-ZBFHGGJFSA-N 2 2 374.489 0.382 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583527018 491846852 /nfs/dbraw/zinc/84/68/52/491846852.db2.gz KPVDKXHEAWNVBW-ZBFHGGJFSA-N 2 2 374.489 0.382 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@@H]21 ZINC000583610726 491848586 /nfs/dbraw/zinc/84/85/86/491848586.db2.gz XCDOCEXMBLTQNN-CVEARBPZSA-N 2 2 362.499 0.555 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@@H]21 ZINC000583610726 491848587 /nfs/dbraw/zinc/84/85/87/491848587.db2.gz XCDOCEXMBLTQNN-CVEARBPZSA-N 2 2 362.499 0.555 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000583621594 491848680 /nfs/dbraw/zinc/84/86/80/491848680.db2.gz HENSPLJLSWIGCY-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000583621594 491848681 /nfs/dbraw/zinc/84/86/81/491848681.db2.gz HENSPLJLSWIGCY-DLBZAZTESA-N 2 2 368.522 0.546 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000583761303 491851479 /nfs/dbraw/zinc/85/14/79/491851479.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@H](O)C[NH+]1CC(C)(C)N(C[C@H](O)C[N@H+](C)CC)C[C@@H]1C ZINC000583761303 491851480 /nfs/dbraw/zinc/85/14/80/491851480.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@@H](O)CN1C[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761303 491851481 /nfs/dbraw/zinc/85/14/81/491851481.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 3 2 358.571 0.396 20 0 FCADLP CC[NH+](C)C[C@@H](O)CN1C[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1(C)C ZINC000583761303 491851482 /nfs/dbraw/zinc/85/14/82/491851482.db2.gz NELXGHKYUKQQLC-OKZBNKHCSA-N 3 2 358.571 0.396 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850461 491853324 /nfs/dbraw/zinc/85/33/24/491853324.db2.gz MWTXLVWGYVKXFR-UKRRQHHQSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850461 491853325 /nfs/dbraw/zinc/85/33/25/491853325.db2.gz MWTXLVWGYVKXFR-UKRRQHHQSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000583850461 491853327 /nfs/dbraw/zinc/85/33/27/491853327.db2.gz MWTXLVWGYVKXFR-UKRRQHHQSA-N 2 2 359.492 0.266 20 0 FCADLP CN1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000583920787 491854640 /nfs/dbraw/zinc/85/46/40/491854640.db2.gz IUCZKAZATJSEDZ-MSOLQXFVSA-N 2 2 361.490 0.172 20 0 FCADLP CN1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000583920787 491854641 /nfs/dbraw/zinc/85/46/41/491854641.db2.gz IUCZKAZATJSEDZ-MSOLQXFVSA-N 2 2 361.490 0.172 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000584147159 491859532 /nfs/dbraw/zinc/85/95/32/491859532.db2.gz PCPWIXOQTOFGRL-OXQOHEQNSA-N 2 2 371.485 0.721 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611692749 491869141 /nfs/dbraw/zinc/86/91/41/491869141.db2.gz WVLRAWBGOAFUDZ-LSDHHAIUSA-N 2 2 359.474 0.837 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611692749 491869142 /nfs/dbraw/zinc/86/91/42/491869142.db2.gz WVLRAWBGOAFUDZ-LSDHHAIUSA-N 2 2 359.474 0.837 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)[nH+]c12 ZINC000595269629 491909819 /nfs/dbraw/zinc/90/98/19/491909819.db2.gz VSDHKMHVYMCGON-LSDHHAIUSA-N 2 2 356.430 0.139 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000612484543 491924325 /nfs/dbraw/zinc/92/43/25/491924325.db2.gz GWDIVDMYQVBOKJ-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000612484543 491924326 /nfs/dbraw/zinc/92/43/26/491924326.db2.gz GWDIVDMYQVBOKJ-HOTGVXAUSA-N 2 2 354.495 0.060 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612487267 491925090 /nfs/dbraw/zinc/92/50/90/491925090.db2.gz WQSTYLMFXHYXTB-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000612552223 491933668 /nfs/dbraw/zinc/93/36/68/491933668.db2.gz NDKBWNLXNCNGNY-OAHLLOKOSA-N 2 2 364.515 0.993 20 0 FCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000612552223 491933669 /nfs/dbraw/zinc/93/36/69/491933669.db2.gz NDKBWNLXNCNGNY-OAHLLOKOSA-N 2 2 364.515 0.993 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(=O)NC1CCCC1 ZINC000595470708 491934183 /nfs/dbraw/zinc/93/41/83/491934183.db2.gz QOLCEKYFTJHRFN-INIZCTEOSA-N 2 2 352.479 0.942 20 0 FCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(=O)NC1CCCC1 ZINC000595470708 491934184 /nfs/dbraw/zinc/93/41/84/491934184.db2.gz QOLCEKYFTJHRFN-INIZCTEOSA-N 2 2 352.479 0.942 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC[N@H+](C)C1 ZINC000602162644 491965053 /nfs/dbraw/zinc/96/50/53/491965053.db2.gz MAPCSZGFTBNOAR-ZDUSSCGKSA-N 2 2 358.398 0.755 20 0 FCADLP COC(=O)[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC[N@@H+](C)C1 ZINC000602162644 491965054 /nfs/dbraw/zinc/96/50/54/491965054.db2.gz MAPCSZGFTBNOAR-ZDUSSCGKSA-N 2 2 358.398 0.755 20 0 FCADLP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595977506 491967539 /nfs/dbraw/zinc/96/75/39/491967539.db2.gz LMMCVCQHBAVWAJ-DOTOQJQBSA-N 3 2 374.533 0.960 20 0 FCADLP CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595977506 491967541 /nfs/dbraw/zinc/96/75/41/491967541.db2.gz LMMCVCQHBAVWAJ-DOTOQJQBSA-N 3 2 374.533 0.960 20 0 FCADLP CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202727 491968039 /nfs/dbraw/zinc/96/80/39/491968039.db2.gz QQJFAELLVRCXFF-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602202727 491968041 /nfs/dbraw/zinc/96/80/41/491968041.db2.gz QQJFAELLVRCXFF-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613996129 492009133 /nfs/dbraw/zinc/00/91/33/492009133.db2.gz PXHKIFDWZQQMJR-OALUTQOASA-N 3 2 372.513 0.881 20 0 FCADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000613996129 492009135 /nfs/dbraw/zinc/00/91/35/492009135.db2.gz PXHKIFDWZQQMJR-OALUTQOASA-N 3 2 372.513 0.881 20 0 FCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000603066298 492014199 /nfs/dbraw/zinc/01/41/99/492014199.db2.gz IMBHFWDDRFRPRG-SJORKVTESA-N 2 2 369.506 0.923 20 0 FCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000603066298 492014201 /nfs/dbraw/zinc/01/42/01/492014201.db2.gz IMBHFWDDRFRPRG-SJORKVTESA-N 2 2 369.506 0.923 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c[nH]1 ZINC000603426636 492032212 /nfs/dbraw/zinc/03/22/12/492032212.db2.gz CNDPLMYSMNUVPE-INIZCTEOSA-N 2 2 350.463 0.688 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000597482912 492040993 /nfs/dbraw/zinc/04/09/93/492040993.db2.gz VULNVTCVBADXOM-ZDUSSCGKSA-N 2 2 350.419 0.238 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000603910294 492047157 /nfs/dbraw/zinc/04/71/57/492047157.db2.gz NHXZIFAYVKVUDB-CHWSQXEVSA-N 2 2 360.414 0.647 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nnc4n3CCCC4)C2)CC1 ZINC000604177272 492053251 /nfs/dbraw/zinc/05/32/51/492053251.db2.gz QTPWEAZQYYNUNS-CQSZACIVSA-N 2 2 361.494 0.582 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nnc4n3CCCC4)C2)CC1 ZINC000604177272 492053253 /nfs/dbraw/zinc/05/32/53/492053253.db2.gz QTPWEAZQYYNUNS-CQSZACIVSA-N 2 2 361.494 0.582 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000604192599 492053759 /nfs/dbraw/zinc/05/37/59/492053759.db2.gz UYCKVVZPOVDZPT-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP C[NH+](C)CCOC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000604192599 492053761 /nfs/dbraw/zinc/05/37/61/492053761.db2.gz UYCKVVZPOVDZPT-UHFFFAOYSA-N 2 2 356.511 0.849 20 0 FCADLP CN(CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000604196851 492054269 /nfs/dbraw/zinc/05/42/69/492054269.db2.gz KPYYCQPCKKUXPM-CYBMUJFWSA-N 2 2 365.444 0.948 20 0 FCADLP CN(CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)(F)F ZINC000604196851 492054270 /nfs/dbraw/zinc/05/42/70/492054270.db2.gz KPYYCQPCKKUXPM-CYBMUJFWSA-N 2 2 365.444 0.948 20 0 FCADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000605559052 492098805 /nfs/dbraw/zinc/09/88/05/492098805.db2.gz AMMOPYRHWIHHGD-CQSZACIVSA-N 2 2 356.430 0.893 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000606128439 492118133 /nfs/dbraw/zinc/11/81/33/492118133.db2.gz FHZPVNNAJJRYQB-CYBMUJFWSA-N 2 2 350.419 0.382 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000606128439 492118136 /nfs/dbraw/zinc/11/81/36/492118136.db2.gz FHZPVNNAJJRYQB-CYBMUJFWSA-N 2 2 350.419 0.382 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2 ZINC000616215854 492121463 /nfs/dbraw/zinc/12/14/63/492121463.db2.gz RHWHJOZZGJSLHD-OAHLLOKOSA-N 2 2 362.474 0.821 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH+]3CCOCC3)CCOCC1)CC2 ZINC000616215854 492121465 /nfs/dbraw/zinc/12/14/65/492121465.db2.gz RHWHJOZZGJSLHD-OAHLLOKOSA-N 2 2 362.474 0.821 20 0 FCADLP COC(=O)COCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000598983897 492128295 /nfs/dbraw/zinc/12/82/95/492128295.db2.gz YGDYRXAKSZPKPF-UHFFFAOYSA-N 2 2 356.467 0.034 20 0 FCADLP COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000599223268 492144759 /nfs/dbraw/zinc/14/47/59/492144759.db2.gz ZOLVFWIYUCVJLY-UHFFFAOYSA-N 2 2 374.463 0.108 20 0 FCADLP COC(=O)c1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000599223268 492144761 /nfs/dbraw/zinc/14/47/61/492144761.db2.gz ZOLVFWIYUCVJLY-UHFFFAOYSA-N 2 2 374.463 0.108 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000599445394 492173664 /nfs/dbraw/zinc/17/36/64/492173664.db2.gz RPYWYNBYBGGFNO-GJZGRUSLSA-N 2 2 371.551 0.403 20 0 FCADLP CSCC[C@H](NC(N)=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000599445394 492173665 /nfs/dbraw/zinc/17/36/65/492173665.db2.gz RPYWYNBYBGGFNO-GJZGRUSLSA-N 2 2 371.551 0.403 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000617728693 492185295 /nfs/dbraw/zinc/18/52/95/492185295.db2.gz WYBHRSZDFICVNT-OLZOCXBDSA-N 2 2 360.462 0.873 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000617728693 492185297 /nfs/dbraw/zinc/18/52/97/492185297.db2.gz WYBHRSZDFICVNT-OLZOCXBDSA-N 2 2 360.462 0.873 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000617728747 492185682 /nfs/dbraw/zinc/18/56/82/492185682.db2.gz XRMNHKFJMXERBW-LSDHHAIUSA-N 2 2 350.463 0.861 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H](C)CO1 ZINC000617728747 492185685 /nfs/dbraw/zinc/18/56/85/492185685.db2.gz XRMNHKFJMXERBW-LSDHHAIUSA-N 2 2 350.463 0.861 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732515 492186371 /nfs/dbraw/zinc/18/63/71/492186371.db2.gz GOQOJXMQDSCSDN-HLIPFELVSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732515 492186374 /nfs/dbraw/zinc/18/63/74/492186374.db2.gz GOQOJXMQDSCSDN-HLIPFELVSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732515 492186376 /nfs/dbraw/zinc/18/63/76/492186376.db2.gz GOQOJXMQDSCSDN-HLIPFELVSA-N 2 2 361.486 0.849 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617732515 492186378 /nfs/dbraw/zinc/18/63/78/492186378.db2.gz GOQOJXMQDSCSDN-HLIPFELVSA-N 2 2 361.486 0.849 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000608691432 492187084 /nfs/dbraw/zinc/18/70/84/492187084.db2.gz SJLFZKPVZZLGMX-JKSUJKDBSA-N 2 2 362.478 0.817 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000608691432 492187087 /nfs/dbraw/zinc/18/70/87/492187087.db2.gz SJLFZKPVZZLGMX-JKSUJKDBSA-N 2 2 362.478 0.817 20 0 FCADLP COc1cc2[nH+]c(N[C@@H](C)CN3CC[NH+](C)CC3)nc(N)c2cc1OC ZINC000599913930 492217099 /nfs/dbraw/zinc/21/70/99/492217099.db2.gz BZJNCPYPAIIJOW-LBPRGKRZSA-N 2 2 360.462 0.699 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609920235 492227361 /nfs/dbraw/zinc/22/73/61/492227361.db2.gz CBYXTTZHGULUFF-PRPFIWJCSA-N 2 2 356.536 0.706 20 0 FCADLP C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609920235 492227362 /nfs/dbraw/zinc/22/73/62/492227362.db2.gz CBYXTTZHGULUFF-PRPFIWJCSA-N 2 2 356.536 0.706 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2C1 ZINC000618964103 492244962 /nfs/dbraw/zinc/24/49/62/492244962.db2.gz PPIRNWCFAFUJEP-UHFFFAOYSA-N 2 2 373.501 0.713 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2C1 ZINC000618964103 492244965 /nfs/dbraw/zinc/24/49/65/492244965.db2.gz PPIRNWCFAFUJEP-UHFFFAOYSA-N 2 2 373.501 0.713 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000600205977 492249479 /nfs/dbraw/zinc/24/94/79/492249479.db2.gz BSSIWRQVVXIZAI-OAHLLOKOSA-N 2 2 356.463 0.695 20 0 FCADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000600205977 492249481 /nfs/dbraw/zinc/24/94/81/492249481.db2.gz BSSIWRQVVXIZAI-OAHLLOKOSA-N 2 2 356.463 0.695 20 0 FCADLP COC(=O)[C@H]1CC12CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000611154672 492279746 /nfs/dbraw/zinc/27/97/46/492279746.db2.gz UMOLCDGTVLNMQC-MRXNPFEDSA-N 2 2 366.506 0.997 20 0 FCADLP c1cn(-c2cc(N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)ncn2)c[nH+]1 ZINC000641718958 492298786 /nfs/dbraw/zinc/29/87/86/492298786.db2.gz GTVNSFSVJZJMNA-INIZCTEOSA-N 2 2 357.462 0.871 20 0 FCADLP c1cn(-c2cc(N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)ncn2)c[nH+]1 ZINC000641718958 492298788 /nfs/dbraw/zinc/29/87/88/492298788.db2.gz GTVNSFSVJZJMNA-INIZCTEOSA-N 2 2 357.462 0.871 20 0 FCADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1=O ZINC000633896352 492300520 /nfs/dbraw/zinc/30/05/20/492300520.db2.gz FPJCYKHEIYOTIY-KRWDZBQOSA-N 2 2 374.485 0.447 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647510253 492301671 /nfs/dbraw/zinc/30/16/71/492301671.db2.gz PLYHLANZBQNHTE-ROUUACIJSA-N 2 2 358.486 0.917 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000627457707 492303520 /nfs/dbraw/zinc/30/35/20/492303520.db2.gz GZEQCXNCZYWLHQ-ZWKOTPCHSA-N 2 2 358.486 0.896 20 0 FCADLP c1nc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc2c1OCCO2 ZINC000641787690 492304920 /nfs/dbraw/zinc/30/49/20/492304920.db2.gz XXDLDANIYGFWIB-MRXNPFEDSA-N 2 2 362.474 0.739 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476158 492313794 /nfs/dbraw/zinc/31/37/94/492313794.db2.gz BKSZDVRWYHSOSF-NXHRZFHOSA-N 2 2 358.486 0.628 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000627476158 492313799 /nfs/dbraw/zinc/31/37/99/492313799.db2.gz BKSZDVRWYHSOSF-NXHRZFHOSA-N 2 2 358.486 0.628 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627480219 492315717 /nfs/dbraw/zinc/31/57/17/492315717.db2.gz MQEIZLIIWCUSPA-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000627480219 492315725 /nfs/dbraw/zinc/31/57/25/492315725.db2.gz MQEIZLIIWCUSPA-RYRKJORJSA-N 2 2 358.486 0.976 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000620500254 492316392 /nfs/dbraw/zinc/31/63/92/492316392.db2.gz OZHWMICVNMPXDT-UHFFFAOYSA-N 2 2 354.418 0.689 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOCC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568751 492317372 /nfs/dbraw/zinc/31/73/72/492317372.db2.gz SMPFXZUFFJGMGM-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](CCOCC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568751 492317373 /nfs/dbraw/zinc/31/73/73/492317373.db2.gz SMPFXZUFFJGMGM-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000627484025 492317767 /nfs/dbraw/zinc/31/77/67/492317767.db2.gz POGCXMGDZQCCNW-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000627484025 492317772 /nfs/dbraw/zinc/31/77/72/492317772.db2.gz POGCXMGDZQCCNW-JFIYKMOQSA-N 2 2 358.486 0.976 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547607 492319206 /nfs/dbraw/zinc/31/92/06/492319206.db2.gz HMJGTWPIMWLZNS-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547607 492319211 /nfs/dbraw/zinc/31/92/11/492319211.db2.gz HMJGTWPIMWLZNS-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C)C(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)O1 ZINC000634193397 492324864 /nfs/dbraw/zinc/32/48/64/492324864.db2.gz CGUKHSRSPDIMSX-CABCVRRESA-N 2 2 361.446 0.408 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCC(=O)N3CCOCC3)c2)CC1 ZINC000634198290 492326626 /nfs/dbraw/zinc/32/66/26/492326626.db2.gz QOIOMPDWUBDHIA-UHFFFAOYSA-N 2 2 361.446 0.411 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000647835724 492369746 /nfs/dbraw/zinc/36/97/46/492369746.db2.gz KSTYPNVARIMCSC-CQSZACIVSA-N 2 2 355.280 0.813 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)[C@H]1c1[nH+]ccn1C ZINC000627524642 492332136 /nfs/dbraw/zinc/33/21/36/492332136.db2.gz SGPPBONOGRVUFR-SDADXPQNSA-N 2 2 363.462 0.260 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634298754 492335076 /nfs/dbraw/zinc/33/50/76/492335076.db2.gz YSMWVVFUCOKAIL-ZDUSSCGKSA-N 2 2 358.450 0.337 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000627541329 492336495 /nfs/dbraw/zinc/33/64/95/492336495.db2.gz WTISSGLVLFXUTE-XRGAULLZSA-N 2 2 363.462 0.260 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)[C@H]1c1[nH+]ccn1C ZINC000627541329 492336497 /nfs/dbraw/zinc/33/64/97/492336497.db2.gz WTISSGLVLFXUTE-XRGAULLZSA-N 2 2 363.462 0.260 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654729794 492344474 /nfs/dbraw/zinc/34/44/74/492344474.db2.gz JVPBDGNUSWQKBV-BBWFWOEESA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654729794 492344477 /nfs/dbraw/zinc/34/44/77/492344477.db2.gz JVPBDGNUSWQKBV-BBWFWOEESA-N 2 2 354.495 0.338 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642294009 492349254 /nfs/dbraw/zinc/34/92/54/492349254.db2.gz OSNUZXYPISRZLP-MRXNPFEDSA-N 2 2 357.458 0.917 20 0 FCADLP CC[N@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000642304550 492349308 /nfs/dbraw/zinc/34/93/08/492349308.db2.gz IUZNCIDWPQTWLZ-DOTOQJQBSA-N 2 2 362.474 0.594 20 0 FCADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000642304550 492349312 /nfs/dbraw/zinc/34/93/12/492349312.db2.gz IUZNCIDWPQTWLZ-DOTOQJQBSA-N 2 2 362.474 0.594 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000642327644 492351281 /nfs/dbraw/zinc/35/12/81/492351281.db2.gz SSTILAILMHSJJL-FHLIZLRMSA-N 2 2 356.470 0.623 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@@H]21 ZINC000642327460 492351339 /nfs/dbraw/zinc/35/13/39/492351339.db2.gz CNEKLQYSCSOTLK-FGTMMUONSA-N 2 2 356.470 0.704 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@H]21 ZINC000642327461 492351394 /nfs/dbraw/zinc/35/13/94/492351394.db2.gz CNEKLQYSCSOTLK-KZNAEPCWSA-N 2 2 356.470 0.704 20 0 FCADLP CN1C(=O)N[C@@]2(CC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000634643527 492357712 /nfs/dbraw/zinc/35/77/12/492357712.db2.gz DGXSMMIUXAMQPT-RBUKOAKNSA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643527 492357715 /nfs/dbraw/zinc/35/77/15/492357715.db2.gz DGXSMMIUXAMQPT-RBUKOAKNSA-N 2 2 358.442 0.250 20 0 FCADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000634643527 492357719 /nfs/dbraw/zinc/35/77/19/492357719.db2.gz DGXSMMIUXAMQPT-RBUKOAKNSA-N 2 2 358.442 0.250 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634701278 492360498 /nfs/dbraw/zinc/36/04/98/492360498.db2.gz MZIOHDXNZXUHKO-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634701278 492360499 /nfs/dbraw/zinc/36/04/99/492360499.db2.gz MZIOHDXNZXUHKO-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000642519124 492360699 /nfs/dbraw/zinc/36/06/99/492360699.db2.gz FWYWCKYMANNCHO-HOTGVXAUSA-N 2 2 359.474 0.884 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703079 492360796 /nfs/dbraw/zinc/36/07/96/492360796.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634703079 492360799 /nfs/dbraw/zinc/36/07/99/492360799.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634703079 492360802 /nfs/dbraw/zinc/36/08/02/492360802.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 3 2 374.529 0.800 20 0 FCADLP NC(=O)[C@H]1CCC[NH+](CCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634703079 492360806 /nfs/dbraw/zinc/36/08/06/492360806.db2.gz PIQBBPHVKLFSMF-PZJWPPBQSA-N 3 2 374.529 0.800 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704514 492361808 /nfs/dbraw/zinc/36/18/08/492361808.db2.gz LPOLHABPPHHMOW-UYAOXDASSA-N 2 2 369.469 0.752 20 0 FCADLP Cn1cc(N2CC[C@@H]([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2=O)cn1 ZINC000634704514 492361811 /nfs/dbraw/zinc/36/18/11/492361811.db2.gz LPOLHABPPHHMOW-UYAOXDASSA-N 2 2 369.469 0.752 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723048 492363989 /nfs/dbraw/zinc/36/39/89/492363989.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723048 492363993 /nfs/dbraw/zinc/36/39/93/492363993.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723048 492363995 /nfs/dbraw/zinc/36/39/95/492363995.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723048 492363998 /nfs/dbraw/zinc/36/39/98/492363998.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 3 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723048 492364001 /nfs/dbraw/zinc/36/40/01/492364001.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 2 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634723048 492364004 /nfs/dbraw/zinc/36/40/04/492364004.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 2 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723048 492364007 /nfs/dbraw/zinc/36/40/07/492364007.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 2 2 360.502 0.553 20 0 FCADLP NC(=O)[C@@H]1CCC[NH+]1CCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723048 492364009 /nfs/dbraw/zinc/36/40/09/492364009.db2.gz ZHZLXXZXJCLIHT-ICSRJNTNSA-N 2 2 360.502 0.553 20 0 FCADLP Cn1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc2c1=O ZINC000647825559 492368007 /nfs/dbraw/zinc/36/80/07/492368007.db2.gz GKTAFGVTKWCEPN-HNNXBMFYSA-N 2 2 369.469 0.577 20 0 FCADLP Cn1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc2ccccc2c1=O ZINC000647825559 492368010 /nfs/dbraw/zinc/36/80/10/492368010.db2.gz GKTAFGVTKWCEPN-HNNXBMFYSA-N 2 2 369.469 0.577 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)[nH+]c12 ZINC000642638786 492368290 /nfs/dbraw/zinc/36/82/90/492368290.db2.gz CCLJSSUIDXJRRJ-GDBMZVCRSA-N 2 2 355.442 0.512 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621279741 492368526 /nfs/dbraw/zinc/36/85/26/492368526.db2.gz BDSOZBBLSHVMBJ-CJNGLKHVSA-N 2 2 367.457 0.830 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000621279741 492368530 /nfs/dbraw/zinc/36/85/30/492368530.db2.gz BDSOZBBLSHVMBJ-CJNGLKHVSA-N 2 2 367.457 0.830 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000647835724 492369740 /nfs/dbraw/zinc/36/97/40/492369740.db2.gz KSTYPNVARIMCSC-CQSZACIVSA-N 2 2 355.280 0.813 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000647836006 492369808 /nfs/dbraw/zinc/36/98/08/492369808.db2.gz YETLCLIJSILYEX-UHFFFAOYSA-N 2 2 356.492 0.401 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000647836006 492369811 /nfs/dbraw/zinc/36/98/11/492369811.db2.gz YETLCLIJSILYEX-UHFFFAOYSA-N 2 2 356.492 0.401 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642687171 492373321 /nfs/dbraw/zinc/37/33/21/492373321.db2.gz YEUGNWYVWINPFD-HZPDHXFCSA-N 2 2 357.458 0.508 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642705177 492375575 /nfs/dbraw/zinc/37/55/75/492375575.db2.gz COFPSOBPIOSFMT-IRXDYDNUSA-N 2 2 371.485 0.899 20 0 FCADLP O=C(NCC[NH2+]C1CC1)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000642704838 492375792 /nfs/dbraw/zinc/37/57/92/492375792.db2.gz CJXHWLRKTNDCMR-UHFFFAOYSA-N 2 2 359.474 0.946 20 0 FCADLP Cc1cc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)[nH+]1 ZINC000627769427 492379608 /nfs/dbraw/zinc/37/96/08/492379608.db2.gz NLHHZLJGEZRSDW-AWEZNQCLSA-N 2 2 361.446 0.401 20 0 FCADLP Cc1cc(C)c(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(C)[nH+]1 ZINC000627769427 492379612 /nfs/dbraw/zinc/37/96/12/492379612.db2.gz NLHHZLJGEZRSDW-AWEZNQCLSA-N 2 2 361.446 0.401 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2C1=O ZINC000647907957 492381978 /nfs/dbraw/zinc/38/19/78/492381978.db2.gz XNZBYFZMSABUHY-KNXALSJPSA-N 2 2 356.426 0.910 20 0 FCADLP CN1C(=O)c2ccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2C1=O ZINC000647907957 492381980 /nfs/dbraw/zinc/38/19/80/492381980.db2.gz XNZBYFZMSABUHY-KNXALSJPSA-N 2 2 356.426 0.910 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000621441749 492383386 /nfs/dbraw/zinc/38/33/86/492383386.db2.gz CQJYFGOULCKQPP-VQIMIIECSA-N 2 2 361.486 0.980 20 0 FCADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@@H](O)C1 ZINC000621441749 492383390 /nfs/dbraw/zinc/38/33/90/492383390.db2.gz CQJYFGOULCKQPP-VQIMIIECSA-N 2 2 361.486 0.980 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@@H]1[NH3+] ZINC000647938532 492385707 /nfs/dbraw/zinc/38/57/07/492385707.db2.gz OZXFSTFBFBJXJT-CABCVRRESA-N 2 2 362.474 0.963 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)CC[C@@H]1[NH3+] ZINC000647938532 492385709 /nfs/dbraw/zinc/38/57/09/492385709.db2.gz OZXFSTFBFBJXJT-CABCVRRESA-N 2 2 362.474 0.963 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936565 492386103 /nfs/dbraw/zinc/38/61/03/492386103.db2.gz HEPFTFQMNPEBCC-GJZGRUSLSA-N 2 2 362.540 0.222 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936565 492386106 /nfs/dbraw/zinc/38/61/06/492386106.db2.gz HEPFTFQMNPEBCC-GJZGRUSLSA-N 2 2 362.540 0.222 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000647976817 492390512 /nfs/dbraw/zinc/39/05/12/492390512.db2.gz UOZVEZVUEXBLAL-ULQDDVLXSA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000647976817 492390516 /nfs/dbraw/zinc/39/05/16/492390516.db2.gz UOZVEZVUEXBLAL-ULQDDVLXSA-N 2 2 371.547 0.734 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000642919748 492404148 /nfs/dbraw/zinc/40/41/48/492404148.db2.gz FQNDFKHKOYKJRO-UHFFFAOYSA-N 2 2 374.489 0.425 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000642982407 492411067 /nfs/dbraw/zinc/41/10/67/492411067.db2.gz VFCFKPWKNDDPCQ-OAHLLOKOSA-N 2 2 350.488 0.651 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642982656 492411088 /nfs/dbraw/zinc/41/10/88/492411088.db2.gz ZLKNSGLSJWWTRN-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000642982656 492411093 /nfs/dbraw/zinc/41/10/93/492411093.db2.gz ZLKNSGLSJWWTRN-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000642982654 492411547 /nfs/dbraw/zinc/41/15/47/492411547.db2.gz ZLKNSGLSJWWTRN-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000642982654 492411549 /nfs/dbraw/zinc/41/15/49/492411549.db2.gz ZLKNSGLSJWWTRN-AEFFLSMTSA-N 2 2 358.486 0.978 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000642988413 492411981 /nfs/dbraw/zinc/41/19/81/492411981.db2.gz WINUTCNHSBKQOZ-WBVHZDCISA-N 3 2 367.538 0.247 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000642988413 492411987 /nfs/dbraw/zinc/41/19/87/492411987.db2.gz WINUTCNHSBKQOZ-WBVHZDCISA-N 3 2 367.538 0.247 20 0 FCADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+]3CC[C@@H](O)C3)c2C1 ZINC000627981035 492431563 /nfs/dbraw/zinc/43/15/63/492431563.db2.gz JBJGNZFJCNIHEI-OAHLLOKOSA-N 2 2 360.458 0.534 20 0 FCADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[NH+]3CC[C@@H](O)C3)c2C1 ZINC000627981035 492431569 /nfs/dbraw/zinc/43/15/69/492431569.db2.gz JBJGNZFJCNIHEI-OAHLLOKOSA-N 2 2 360.458 0.534 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](O)C3)c2C1 ZINC000627981035 492431572 /nfs/dbraw/zinc/43/15/72/492431572.db2.gz JBJGNZFJCNIHEI-OAHLLOKOSA-N 2 2 360.458 0.534 20 0 FCADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](O)C3)c2C1 ZINC000627981035 492431577 /nfs/dbraw/zinc/43/15/77/492431577.db2.gz JBJGNZFJCNIHEI-OAHLLOKOSA-N 2 2 360.458 0.534 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635359752 492438852 /nfs/dbraw/zinc/43/88/52/492438852.db2.gz NDDOWFVUWWRNPI-QGZVFWFLSA-N 2 2 358.490 0.732 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635359752 492438856 /nfs/dbraw/zinc/43/88/56/492438856.db2.gz NDDOWFVUWWRNPI-QGZVFWFLSA-N 2 2 358.490 0.732 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)CC2)c1 ZINC000622025907 492441768 /nfs/dbraw/zinc/44/17/68/492441768.db2.gz YVXKPDYFFLFIER-WIYYLYMNSA-N 2 2 370.497 0.979 20 0 FCADLP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1)[C@H]1CCC[NH2+]1 ZINC000655450554 492444375 /nfs/dbraw/zinc/44/43/75/492444375.db2.gz SDKFUNDTKMNSHL-ARFHVFGLSA-N 2 2 359.474 0.552 20 0 FCADLP COC1([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397886 492448005 /nfs/dbraw/zinc/44/80/05/492448005.db2.gz XXAMHYIOXVHUIB-CABCVRRESA-N 2 2 366.506 0.345 20 0 FCADLP COC1([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000643397886 492448009 /nfs/dbraw/zinc/44/80/09/492448009.db2.gz XXAMHYIOXVHUIB-CABCVRRESA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552165 492455582 /nfs/dbraw/zinc/45/55/82/492455582.db2.gz PMAPUFKYHJBGQE-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552165 492455586 /nfs/dbraw/zinc/45/55/86/492455586.db2.gz PMAPUFKYHJBGQE-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552165 492455588 /nfs/dbraw/zinc/45/55/88/492455588.db2.gz PMAPUFKYHJBGQE-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC000655552165 492455591 /nfs/dbraw/zinc/45/55/91/492455591.db2.gz PMAPUFKYHJBGQE-RYQLBKOJSA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552410 492456540 /nfs/dbraw/zinc/45/65/40/492456540.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH+]3CCCO)C2)CC1 ZINC000655552410 492456543 /nfs/dbraw/zinc/45/65/43/492456543.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)C2)CC1 ZINC000655552410 492456546 /nfs/dbraw/zinc/45/65/46/492456546.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2)CC1 ZINC000655552410 492456549 /nfs/dbraw/zinc/45/65/49/492456549.db2.gz XXVNDVILUJYISE-AEFFLSMTSA-N 3 2 367.538 0.301 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CCO2)CC1 ZINC000635512573 492462939 /nfs/dbraw/zinc/46/29/39/492462939.db2.gz OAHIQUKEALONEW-ROUUACIJSA-N 2 2 350.507 0.478 20 0 FCADLP CN1CC[NH+](C[C@H]2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CCO2)CC1 ZINC000635512573 492462942 /nfs/dbraw/zinc/46/29/42/492462942.db2.gz OAHIQUKEALONEW-ROUUACIJSA-N 2 2 350.507 0.478 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000622362622 492472441 /nfs/dbraw/zinc/47/24/41/492472441.db2.gz DNNMZPURRVHMCG-UHFFFAOYSA-N 2 2 361.490 0.984 20 0 FCADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000643476747 492473699 /nfs/dbraw/zinc/47/36/99/492473699.db2.gz PAFHAWAXPIIEAA-QGZVFWFLSA-N 2 2 366.506 0.158 20 0 FCADLP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000643479290 492475184 /nfs/dbraw/zinc/47/51/84/492475184.db2.gz NINMOXWFFXFPJW-HOTGVXAUSA-N 2 2 362.499 0.460 20 0 FCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635579046 492476734 /nfs/dbraw/zinc/47/67/34/492476734.db2.gz WSEKDXVQOQQHCH-WBVHZDCISA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635579046 492476737 /nfs/dbraw/zinc/47/67/37/492476737.db2.gz WSEKDXVQOQQHCH-WBVHZDCISA-N 2 2 364.490 0.053 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@H]3CC[NH2+][C@H]3C1)C2 ZINC000643513766 492486414 /nfs/dbraw/zinc/48/64/14/492486414.db2.gz LVSMFQKGBFJZOL-KGLIPLIRSA-N 2 2 359.474 0.639 20 0 FCADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000635685511 492491257 /nfs/dbraw/zinc/49/12/57/492491257.db2.gz LKPYIKIFTQWDSF-MSOLQXFVSA-N 2 2 351.491 0.953 20 0 FCADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000635685511 492491259 /nfs/dbraw/zinc/49/12/59/492491259.db2.gz LKPYIKIFTQWDSF-MSOLQXFVSA-N 2 2 351.491 0.953 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000635737118 492499375 /nfs/dbraw/zinc/49/93/75/492499375.db2.gz QWAGFIOKJBNMRJ-CVEARBPZSA-N 2 2 359.536 0.828 20 0 FCADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000635737118 492499377 /nfs/dbraw/zinc/49/93/77/492499377.db2.gz QWAGFIOKJBNMRJ-CVEARBPZSA-N 2 2 359.536 0.828 20 0 FCADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649271404 492516811 /nfs/dbraw/zinc/51/68/11/492516811.db2.gz GYCZEBAPIWHWKY-IBGZPJMESA-N 3 2 370.501 0.165 20 0 FCADLP CCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649274475 492517926 /nfs/dbraw/zinc/51/79/26/492517926.db2.gz OCUIKHDMYIUCTD-KRWDZBQOSA-N 2 2 357.458 0.738 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000649285699 492523157 /nfs/dbraw/zinc/52/31/57/492523157.db2.gz OPAVQABXSIDOJA-HNNXBMFYSA-N 2 2 360.458 0.781 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)c1ccc(C[NH3+])o1)C(=O)NCC[NH+]1CCOCC1 ZINC000649301073 492526652 /nfs/dbraw/zinc/52/66/52/492526652.db2.gz DRRVDJMJBWWPKV-CZUORRHYSA-N 2 2 366.462 0.331 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649324096 492532904 /nfs/dbraw/zinc/53/29/04/492532904.db2.gz SKLPJOIJPDHAQK-KRWDZBQOSA-N 2 2 366.506 0.063 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000649324097 492533215 /nfs/dbraw/zinc/53/32/15/492533215.db2.gz SKLPJOIJPDHAQK-QGZVFWFLSA-N 2 2 366.506 0.063 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000649335781 492538092 /nfs/dbraw/zinc/53/80/92/492538092.db2.gz YNORWSYSUSDRME-YJBOKZPZSA-N 2 2 362.474 0.218 20 0 FCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000649335781 492538095 /nfs/dbraw/zinc/53/80/95/492538095.db2.gz YNORWSYSUSDRME-YJBOKZPZSA-N 2 2 362.474 0.218 20 0 FCADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000656080760 492541220 /nfs/dbraw/zinc/54/12/20/492541220.db2.gz GLFNXJUCPGZJAE-INIZCTEOSA-N 2 2 368.522 0.498 20 0 FCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747524 492542516 /nfs/dbraw/zinc/54/25/16/492542516.db2.gz BZPIVFBSIFTQFD-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628747524 492542519 /nfs/dbraw/zinc/54/25/19/492542519.db2.gz BZPIVFBSIFTQFD-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649351336 492544453 /nfs/dbraw/zinc/54/44/53/492544453.db2.gz NMLIPCKTNITLBF-QGZVFWFLSA-N 2 2 369.473 0.365 20 0 FCADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[NH2+]CCOC3)c2)CC1 ZINC000643788436 492560079 /nfs/dbraw/zinc/56/00/79/492560079.db2.gz XLOFJWUFOVIJLO-KRWDZBQOSA-N 2 2 360.458 0.525 20 0 FCADLP CN(C)C(=O)COc1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618199 492574079 /nfs/dbraw/zinc/57/40/79/492574079.db2.gz HMLACILMDQOTFO-INIZCTEOSA-N 2 2 362.474 0.583 20 0 FCADLP CN(C)C(=O)COc1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618199 492574082 /nfs/dbraw/zinc/57/40/82/492574082.db2.gz HMLACILMDQOTFO-INIZCTEOSA-N 2 2 362.474 0.583 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000656296487 492575327 /nfs/dbraw/zinc/57/53/27/492575327.db2.gz UVAGEBMOEGKIFD-CVEARBPZSA-N 2 2 359.474 0.897 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000656296487 492575332 /nfs/dbraw/zinc/57/53/32/492575332.db2.gz UVAGEBMOEGKIFD-CVEARBPZSA-N 2 2 359.474 0.897 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000636313526 492579231 /nfs/dbraw/zinc/57/92/31/492579231.db2.gz DLKMXBYBHPBKNA-SFHVURJKSA-N 2 2 374.485 0.502 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000636313526 492579233 /nfs/dbraw/zinc/57/92/33/492579233.db2.gz DLKMXBYBHPBKNA-SFHVURJKSA-N 2 2 374.485 0.502 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307016 492580734 /nfs/dbraw/zinc/58/07/34/492580734.db2.gz LYMRPGVHUHBMMT-JONQDZQNSA-N 2 2 368.522 0.447 20 0 FCADLP C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656307016 492580739 /nfs/dbraw/zinc/58/07/39/492580739.db2.gz LYMRPGVHUHBMMT-JONQDZQNSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000636318317 492582016 /nfs/dbraw/zinc/58/20/16/492582016.db2.gz UFPLLCRKJFQXFG-NUJGCVRESA-N 2 2 368.522 0.353 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1C ZINC000656311770 492585642 /nfs/dbraw/zinc/58/56/42/492585642.db2.gz HTCCXWKAOUMTCV-LSDHHAIUSA-N 2 2 362.478 0.235 20 0 FCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460138 492592279 /nfs/dbraw/zinc/59/22/79/492592279.db2.gz AJTLPEQKEJRTEU-CABCVRRESA-N 2 2 368.503 0.487 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000636460138 492592283 /nfs/dbraw/zinc/59/22/83/492592283.db2.gz AJTLPEQKEJRTEU-CABCVRRESA-N 2 2 368.503 0.487 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000636491989 492600217 /nfs/dbraw/zinc/60/02/17/492600217.db2.gz CLZKRBRJSGBKGK-BETUJISGSA-N 2 2 351.451 0.372 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000636491989 492600219 /nfs/dbraw/zinc/60/02/19/492600219.db2.gz CLZKRBRJSGBKGK-BETUJISGSA-N 2 2 351.451 0.372 20 0 FCADLP Nc1nc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc(N)[nH+]1 ZINC000623960715 492609277 /nfs/dbraw/zinc/60/92/77/492609277.db2.gz FFTWCRJUSUQCLK-NSHDSACASA-N 2 2 351.817 0.988 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000650061950 492610202 /nfs/dbraw/zinc/61/02/02/492610202.db2.gz XLNRLOJNWFLPHZ-UHFFFAOYSA-N 2 2 368.482 0.257 20 0 FCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000636607521 492636182 /nfs/dbraw/zinc/63/61/82/492636182.db2.gz IDCNXBUKAFPFAI-SFHVURJKSA-N 2 2 362.474 0.385 20 0 FCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000636607521 492636186 /nfs/dbraw/zinc/63/61/86/492636186.db2.gz IDCNXBUKAFPFAI-SFHVURJKSA-N 2 2 362.474 0.385 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624314578 492637810 /nfs/dbraw/zinc/63/78/10/492637810.db2.gz LJUPPPBBENDEQV-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624314578 492637811 /nfs/dbraw/zinc/63/78/11/492637811.db2.gz LJUPPPBBENDEQV-CKEIUWERSA-N 2 2 362.478 0.771 20 0 FCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624335684 492638504 /nfs/dbraw/zinc/63/85/04/492638504.db2.gz XWLNHMUXFLBTDQ-PBHICJAKSA-N 2 2 353.488 0.944 20 0 FCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000624335684 492638510 /nfs/dbraw/zinc/63/85/10/492638510.db2.gz XWLNHMUXFLBTDQ-PBHICJAKSA-N 2 2 353.488 0.944 20 0 FCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000656694740 492642489 /nfs/dbraw/zinc/64/24/89/492642489.db2.gz QUKGJFCDVFZNFM-ZWKOTPCHSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000656694740 492642492 /nfs/dbraw/zinc/64/24/92/492642492.db2.gz QUKGJFCDVFZNFM-ZWKOTPCHSA-N 2 2 354.539 0.706 20 0 FCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000629547666 492643595 /nfs/dbraw/zinc/64/35/95/492643595.db2.gz UBZDHPJSESKADQ-KRWDZBQOSA-N 2 2 363.506 0.563 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629564228 492645421 /nfs/dbraw/zinc/64/54/21/492645421.db2.gz GZFUVJDXHJALSE-IACUBPJLSA-N 2 2 364.412 0.525 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629564228 492645422 /nfs/dbraw/zinc/64/54/22/492645422.db2.gz GZFUVJDXHJALSE-IACUBPJLSA-N 2 2 364.412 0.525 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000650470345 492645513 /nfs/dbraw/zinc/64/55/13/492645513.db2.gz FKOSEGYNRAYXRN-UHFFFAOYSA-N 2 2 368.482 0.256 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561738 492645807 /nfs/dbraw/zinc/64/58/07/492645807.db2.gz ZCZORRHYDHXAQN-UXHICEINSA-N 3 2 374.529 0.930 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2)C1 ZINC000629561738 492645812 /nfs/dbraw/zinc/64/58/12/492645812.db2.gz ZCZORRHYDHXAQN-UXHICEINSA-N 3 2 374.529 0.930 20 0 FCADLP O=S(=O)(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000629578833 492655912 /nfs/dbraw/zinc/65/59/12/492655912.db2.gz VIGXJENKDCXQEF-CYBMUJFWSA-N 2 2 363.430 0.289 20 0 FCADLP C[N@H+](CCOCC[NH3+])Cc1nnnn1-c1ccccc1Br ZINC000629579895 492656243 /nfs/dbraw/zinc/65/62/43/492656243.db2.gz XSWWMXJJCXMGHB-UHFFFAOYSA-N 2 2 355.240 0.832 20 0 FCADLP C[N@@H+](CCOCC[NH3+])Cc1nnnn1-c1ccccc1Br ZINC000629579895 492656249 /nfs/dbraw/zinc/65/62/49/492656249.db2.gz XSWWMXJJCXMGHB-UHFFFAOYSA-N 2 2 355.240 0.832 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000650646876 492658555 /nfs/dbraw/zinc/65/85/55/492658555.db2.gz HEUODLYTHNGYKZ-QGZVFWFLSA-N 2 2 356.511 0.851 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000650669848 492660038 /nfs/dbraw/zinc/66/00/38/492660038.db2.gz QHIKPPRWSCWADB-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000650669848 492660042 /nfs/dbraw/zinc/66/00/42/492660042.db2.gz QHIKPPRWSCWADB-SJORKVTESA-N 2 2 354.495 0.603 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000650696014 492662502 /nfs/dbraw/zinc/66/25/02/492662502.db2.gz KLAHMRNXVVINIP-QGZVFWFLSA-N 2 2 356.511 0.709 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000644194574 492665372 /nfs/dbraw/zinc/66/53/72/492665372.db2.gz GDKDCFDFMOQXFY-KRWDZBQOSA-N 2 2 360.458 0.715 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644195562 492666201 /nfs/dbraw/zinc/66/62/01/492666201.db2.gz DAFYYNOVVWCBDQ-INIZCTEOSA-N 3 2 373.501 0.677 20 0 FCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644195562 492666204 /nfs/dbraw/zinc/66/62/04/492666204.db2.gz DAFYYNOVVWCBDQ-INIZCTEOSA-N 3 2 373.501 0.677 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@H]1O ZINC000636706525 492666758 /nfs/dbraw/zinc/66/67/58/492666758.db2.gz ATBQCGBLFDWDSR-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCC[C@H]1O ZINC000636706525 492666761 /nfs/dbraw/zinc/66/67/61/492666761.db2.gz ATBQCGBLFDWDSR-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636792193 492694132 /nfs/dbraw/zinc/69/41/32/492694132.db2.gz PZQCQMXPVMNIRY-FUHWJXTLSA-N 2 2 365.522 0.855 20 0 FCADLP CC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636792193 492694135 /nfs/dbraw/zinc/69/41/35/492694135.db2.gz PZQCQMXPVMNIRY-FUHWJXTLSA-N 2 2 365.522 0.855 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](O)C(F)(F)F ZINC000636792596 492694518 /nfs/dbraw/zinc/69/45/18/492694518.db2.gz XUWTWLBVXRRFAO-GVXVVHGQSA-N 2 2 352.401 0.766 20 0 FCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](O)C(F)(F)F ZINC000636792596 492694521 /nfs/dbraw/zinc/69/45/21/492694521.db2.gz XUWTWLBVXRRFAO-GVXVVHGQSA-N 2 2 352.401 0.766 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)cs1 ZINC000629913345 492703429 /nfs/dbraw/zinc/70/34/29/492703429.db2.gz XRERBDMRKRBIQU-INIZCTEOSA-N 2 2 352.504 0.846 20 0 FCADLP Cc1nc(C[NH+]2CCC(C(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)cs1 ZINC000629913345 492703434 /nfs/dbraw/zinc/70/34/34/492703434.db2.gz XRERBDMRKRBIQU-INIZCTEOSA-N 2 2 352.504 0.846 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@@H+]1C ZINC000636843861 492707454 /nfs/dbraw/zinc/70/74/54/492707454.db2.gz MIWGLSZTCRFHEX-RKVPGOIHSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[NH+]2C)CC[N@H+]1C ZINC000636843861 492707458 /nfs/dbraw/zinc/70/74/58/492707458.db2.gz MIWGLSZTCRFHEX-RKVPGOIHSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC[NH+]1C ZINC000636843861 492707465 /nfs/dbraw/zinc/70/74/65/492707465.db2.gz MIWGLSZTCRFHEX-RKVPGOIHSA-N 2 2 354.495 0.384 20 0 FCADLP C[N@H+](CC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)C1CCC1 ZINC000629958244 492708992 /nfs/dbraw/zinc/70/89/92/492708992.db2.gz QAEXYMOOVIQAOD-UHFFFAOYSA-N 2 2 359.474 0.884 20 0 FCADLP C[N@@H+](CC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1)C1CCC1 ZINC000629958244 492708993 /nfs/dbraw/zinc/70/89/93/492708993.db2.gz QAEXYMOOVIQAOD-UHFFFAOYSA-N 2 2 359.474 0.884 20 0 FCADLP COCn1nc(C)c(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000657090225 492714536 /nfs/dbraw/zinc/71/45/36/492714536.db2.gz AIRLKIHTNOBUTL-UHFFFAOYSA-N 2 2 361.512 0.266 20 0 FCADLP COCn1nc(C)c(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000657090225 492714540 /nfs/dbraw/zinc/71/45/40/492714540.db2.gz AIRLKIHTNOBUTL-UHFFFAOYSA-N 2 2 361.512 0.266 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000630021927 492717993 /nfs/dbraw/zinc/71/79/93/492717993.db2.gz ZQTRWWVETVKRKW-LPHOPBHVSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000630021927 492717995 /nfs/dbraw/zinc/71/79/95/492717995.db2.gz ZQTRWWVETVKRKW-LPHOPBHVSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000630021927 492717996 /nfs/dbraw/zinc/71/79/96/492717996.db2.gz ZQTRWWVETVKRKW-LPHOPBHVSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000630021927 492717997 /nfs/dbraw/zinc/71/79/97/492717997.db2.gz ZQTRWWVETVKRKW-LPHOPBHVSA-N 2 2 353.507 0.983 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000636988494 492743737 /nfs/dbraw/zinc/74/37/37/492743737.db2.gz VBZYAOVRHXOBCN-KRWDZBQOSA-N 2 2 359.474 0.875 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528523 492782253 /nfs/dbraw/zinc/78/22/53/492782253.db2.gz GLYNVFHKXCNIIK-IAGOWNOFSA-N 2 2 355.504 0.493 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000644528523 492782258 /nfs/dbraw/zinc/78/22/58/492782258.db2.gz GLYNVFHKXCNIIK-IAGOWNOFSA-N 2 2 355.504 0.493 20 0 FCADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)COCc1cccs1 ZINC000644569127 492785461 /nfs/dbraw/zinc/78/54/61/492785461.db2.gz JXLRCGGKVXVTBY-IRXDYDNUSA-N 2 2 369.531 0.622 20 0 FCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657743468 492788054 /nfs/dbraw/zinc/78/80/54/492788054.db2.gz BWNRTTAENSUVML-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657743468 492788057 /nfs/dbraw/zinc/78/80/57/492788057.db2.gz BWNRTTAENSUVML-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1)c1ccccc1 ZINC000625475093 492791914 /nfs/dbraw/zinc/79/19/14/492791914.db2.gz UFDADEBYDMYQBX-IBGZPJMESA-N 2 2 370.501 0.946 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCN(Cc2cn[nH]c2)CC1)c1ccccc1 ZINC000625475093 492791918 /nfs/dbraw/zinc/79/19/18/492791918.db2.gz UFDADEBYDMYQBX-IBGZPJMESA-N 2 2 370.501 0.946 20 0 FCADLP Cn1cc([C@H](CO)[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000631102615 492797691 /nfs/dbraw/zinc/79/76/91/492797691.db2.gz YOFPCJZGMLTOLT-IBGZPJMESA-N 2 2 360.458 0.954 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262464 492801361 /nfs/dbraw/zinc/80/13/61/492801361.db2.gz FNWHEMBEWVYMCR-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000637262464 492801365 /nfs/dbraw/zinc/80/13/65/492801365.db2.gz FNWHEMBEWVYMCR-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000637262464 492801369 /nfs/dbraw/zinc/80/13/69/492801369.db2.gz FNWHEMBEWVYMCR-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000637262464 492801371 /nfs/dbraw/zinc/80/13/71/492801371.db2.gz FNWHEMBEWVYMCR-KXBFYZLASA-N 2 2 368.522 0.774 20 0 FCADLP CC[NH+]1CCC(NC(=O)CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)CC1 ZINC000625501087 492802644 /nfs/dbraw/zinc/80/26/44/492802644.db2.gz CMTUDKULVIUGHK-IBGZPJMESA-N 2 2 371.489 0.691 20 0 FCADLP O=C(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873139 492807394 /nfs/dbraw/zinc/80/73/94/492807394.db2.gz DAJOXJKEHMWNSY-OAHLLOKOSA-N 2 2 368.441 0.860 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520709 492808826 /nfs/dbraw/zinc/80/88/26/492808826.db2.gz WHPQRPZQVPAWEJ-JXFKEZNVSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C4CCCC4)CCNC3=O)C2)CC1 ZINC000625520709 492808828 /nfs/dbraw/zinc/80/88/28/492808828.db2.gz WHPQRPZQVPAWEJ-JXFKEZNVSA-N 2 2 362.518 0.968 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637373795 492813810 /nfs/dbraw/zinc/81/38/10/492813810.db2.gz VBWHMPXBCSLMLT-HNNXBMFYSA-N 2 2 369.510 0.078 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000637373795 492813815 /nfs/dbraw/zinc/81/38/15/492813815.db2.gz VBWHMPXBCSLMLT-HNNXBMFYSA-N 2 2 369.510 0.078 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000637373795 492813820 /nfs/dbraw/zinc/81/38/20/492813820.db2.gz VBWHMPXBCSLMLT-HNNXBMFYSA-N 2 2 369.510 0.078 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000637373795 492813824 /nfs/dbraw/zinc/81/38/24/492813824.db2.gz VBWHMPXBCSLMLT-HNNXBMFYSA-N 2 2 369.510 0.078 20 0 FCADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000631646021 492829123 /nfs/dbraw/zinc/82/91/23/492829123.db2.gz ISEXEWDZAVDXKG-SFHVURJKSA-N 2 2 368.547 0.846 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000651842588 492832767 /nfs/dbraw/zinc/83/27/67/492832767.db2.gz GTNUKZXRPRDOJK-ZBFHGGJFSA-N 2 2 373.457 0.328 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000651842588 492832769 /nfs/dbraw/zinc/83/27/69/492832769.db2.gz GTNUKZXRPRDOJK-ZBFHGGJFSA-N 2 2 373.457 0.328 20 0 FCADLP C[NH+](C)CCCS(=O)(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000631724763 492842132 /nfs/dbraw/zinc/84/21/32/492842132.db2.gz WCYZBJDFFAXCDO-UHFFFAOYSA-N 2 2 354.520 0.680 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000631796599 492854280 /nfs/dbraw/zinc/85/42/80/492854280.db2.gz ZQZQYTFQRAVPBW-UHFFFAOYSA-N 2 2 366.531 0.559 20 0 FCADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000658259856 492855026 /nfs/dbraw/zinc/85/50/26/492855026.db2.gz ZVMFLYFLEOLHSH-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000658259856 492855028 /nfs/dbraw/zinc/85/50/28/492855028.db2.gz ZVMFLYFLEOLHSH-UHFFFAOYSA-N 2 2 358.486 0.803 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CC2([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000631798699 492855654 /nfs/dbraw/zinc/85/56/54/492855654.db2.gz XSDIXLMHTZKJHU-OAGGEKHMSA-N 2 2 359.536 0.984 20 0 FCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680556 492858629 /nfs/dbraw/zinc/85/86/29/492858629.db2.gz ABBPKXMZTDIDJW-KRWDZBQOSA-N 2 2 367.519 0.747 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863660 492865522 /nfs/dbraw/zinc/86/55/22/492865522.db2.gz AHCXEORFWOIDHB-QGZVFWFLSA-N 2 2 360.502 0.770 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)CO1 ZINC000658419708 492878320 /nfs/dbraw/zinc/87/83/20/492878320.db2.gz IULNANBFSFROMO-KBPBESRZSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)CO1 ZINC000658419708 492878324 /nfs/dbraw/zinc/87/83/24/492878324.db2.gz IULNANBFSFROMO-KBPBESRZSA-N 2 2 372.429 0.431 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)[NH+]1CCOCC1 ZINC000652127550 492884236 /nfs/dbraw/zinc/88/42/36/492884236.db2.gz WYORJDOCKKMNOB-LTIDMASMSA-N 2 2 354.495 0.635 20 0 FCADLP CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1=O ZINC000652162481 492889679 /nfs/dbraw/zinc/88/96/79/492889679.db2.gz QNRKRVHCCAHZBY-MRXNPFEDSA-N 2 2 359.474 0.573 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000658447426 492896956 /nfs/dbraw/zinc/89/69/56/492896956.db2.gz OWTZCYALXQTFRJ-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000658447426 492896961 /nfs/dbraw/zinc/89/69/61/492896961.db2.gz OWTZCYALXQTFRJ-SFHVURJKSA-N 2 2 374.485 0.168 20 0 FCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000638056869 492897995 /nfs/dbraw/zinc/89/79/95/492897995.db2.gz MBCSBHVCRBUWDW-QFBILLFUSA-N 2 2 357.458 0.746 20 0 FCADLP COc1cccc([C@H]([NH3+])C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000638103799 492906992 /nfs/dbraw/zinc/90/69/92/492906992.db2.gz UELQOZRDTAHVAN-KRWDZBQOSA-N 2 2 359.430 0.862 20 0 FCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000638104411 492907282 /nfs/dbraw/zinc/90/72/82/492907282.db2.gz ZKKNBFIUNFSJTH-JCHJZTRSSA-N 2 2 361.486 0.977 20 0 FCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000638116527 492909248 /nfs/dbraw/zinc/90/92/48/492909248.db2.gz FLZZMWBRQHKSKX-BXWFABGCSA-N 2 2 361.490 0.475 20 0 FCADLP CNC(=O)N1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000638119956 492910883 /nfs/dbraw/zinc/91/08/83/492910883.db2.gz CBUSINZSFJKEJX-UHFFFAOYSA-N 2 2 362.474 0.855 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000652336851 492911512 /nfs/dbraw/zinc/91/15/12/492911512.db2.gz HACIPMNVJAXVHG-MRXNPFEDSA-N 2 2 359.467 0.493 20 0 FCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000652336851 492911514 /nfs/dbraw/zinc/91/15/14/492911514.db2.gz HACIPMNVJAXVHG-MRXNPFEDSA-N 2 2 359.467 0.493 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)NCC1([NH+]3CCOCC3)CC1)CCO2 ZINC000645476922 492912231 /nfs/dbraw/zinc/91/22/31/492912231.db2.gz SXHWETPONBMHKT-UHFFFAOYSA-N 2 2 352.479 0.357 20 0 FCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000638133715 492914453 /nfs/dbraw/zinc/91/44/53/492914453.db2.gz XGIWTNPHZMYNOZ-MAUKXSAKSA-N 2 2 374.485 0.850 20 0 FCADLP CC(C)[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000632032063 492914637 /nfs/dbraw/zinc/91/46/37/492914637.db2.gz SAEFJPSRXBBWIV-KRWDZBQOSA-N 2 2 360.568 0.664 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658500182 492914996 /nfs/dbraw/zinc/91/49/96/492914996.db2.gz GKRBWUWXNDUHNB-IAGOWNOFSA-N 2 2 364.490 0.006 20 0 FCADLP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658506754 492918173 /nfs/dbraw/zinc/91/81/73/492918173.db2.gz NDFCVIMWDGLGTN-KRWDZBQOSA-N 2 2 366.506 0.110 20 0 FCADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638173995 492920842 /nfs/dbraw/zinc/92/08/42/492920842.db2.gz MDMMOUSVFUXMEH-OAHLLOKOSA-N 2 2 369.425 0.614 20 0 FCADLP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000638279410 492928313 /nfs/dbraw/zinc/92/83/13/492928313.db2.gz MSHCTNNXAJALIP-GJZGRUSLSA-N 2 2 362.478 0.396 20 0 FCADLP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000638279410 492928316 /nfs/dbraw/zinc/92/83/16/492928316.db2.gz MSHCTNNXAJALIP-GJZGRUSLSA-N 2 2 362.478 0.396 20 0 FCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000626153860 492938655 /nfs/dbraw/zinc/93/86/55/492938655.db2.gz XTUFBBAHANMTDD-INIZCTEOSA-N 2 2 354.495 0.204 20 0 FCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000626153860 492938662 /nfs/dbraw/zinc/93/86/62/492938662.db2.gz XTUFBBAHANMTDD-INIZCTEOSA-N 2 2 354.495 0.204 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000638445906 492947962 /nfs/dbraw/zinc/94/79/62/492947962.db2.gz KFJIKKZDWIVJMQ-GOSISDBHSA-N 2 2 361.486 0.459 20 0 FCADLP Cc1nc(N2CCN(S(=O)(=O)CCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000632211697 492951837 /nfs/dbraw/zinc/95/18/37/492951837.db2.gz UBVXDSNUETXOAM-UHFFFAOYSA-N 2 2 353.492 0.723 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638558237 492960459 /nfs/dbraw/zinc/96/04/59/492960459.db2.gz WEMJBJYCQIYXLW-VXGBXAGGSA-N 2 2 352.401 0.429 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638558237 492960462 /nfs/dbraw/zinc/96/04/62/492960462.db2.gz WEMJBJYCQIYXLW-VXGBXAGGSA-N 2 2 352.401 0.429 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638597496 492963670 /nfs/dbraw/zinc/96/36/70/492963670.db2.gz YAWUMNVXIUEWMH-CYBMUJFWSA-N 2 2 353.268 0.827 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638597496 492963665 /nfs/dbraw/zinc/96/36/65/492963665.db2.gz YAWUMNVXIUEWMH-CYBMUJFWSA-N 2 2 353.268 0.827 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658652842 492992592 /nfs/dbraw/zinc/99/25/92/492992592.db2.gz SIYVLNKUKCWJBY-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658652842 492992596 /nfs/dbraw/zinc/99/25/96/492992596.db2.gz SIYVLNKUKCWJBY-IAGOWNOFSA-N 2 2 366.506 0.110 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652697528 492992801 /nfs/dbraw/zinc/99/28/01/492992801.db2.gz HEWFDVMTZTYRMD-MSOLQXFVSA-N 2 2 358.486 0.630 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000652697528 492992803 /nfs/dbraw/zinc/99/28/03/492992803.db2.gz HEWFDVMTZTYRMD-MSOLQXFVSA-N 2 2 358.486 0.630 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978116 492995442 /nfs/dbraw/zinc/99/54/42/492995442.db2.gz SHHCDTZFGDAXDJ-FUHWJXTLSA-N 3 2 360.506 0.706 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)C2)CC1 ZINC000645978116 492995445 /nfs/dbraw/zinc/99/54/45/492995445.db2.gz SHHCDTZFGDAXDJ-FUHWJXTLSA-N 3 2 360.506 0.706 20 0 FCADLP [NH3+]C1(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000645981732 492996294 /nfs/dbraw/zinc/99/62/94/492996294.db2.gz UZGYJRFAHXIGAY-OAHLLOKOSA-N 2 2 374.489 0.670 20 0 FCADLP [NH3+]C1(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000645981732 492996298 /nfs/dbraw/zinc/99/62/98/492996298.db2.gz UZGYJRFAHXIGAY-OAHLLOKOSA-N 2 2 374.489 0.670 20 0 FCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)CC1 ZINC000639168612 493000706 /nfs/dbraw/zinc/00/07/06/493000706.db2.gz BNZREBYYYQKDEV-UHFFFAOYSA-N 2 2 360.458 0.839 20 0 FCADLP [NH3+]CCCCn1cc(C(=O)NCCNc2ccc3ccccc3[nH+]2)nn1 ZINC000646033219 493003841 /nfs/dbraw/zinc/00/38/41/493003841.db2.gz BUFLKXSSBXDHTN-UHFFFAOYSA-N 2 2 353.430 1.407 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652736745 493013800 /nfs/dbraw/zinc/01/38/00/493013800.db2.gz OGADTYXETYMYKP-BHIYHBOVSA-N 2 2 372.513 0.815 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652736745 493013803 /nfs/dbraw/zinc/01/38/03/493013803.db2.gz OGADTYXETYMYKP-BHIYHBOVSA-N 2 2 372.513 0.815 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537190 493017920 /nfs/dbraw/zinc/01/79/20/493017920.db2.gz XRTHWABWCTYZPR-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639537190 493017924 /nfs/dbraw/zinc/01/79/24/493017924.db2.gz XRTHWABWCTYZPR-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639537190 493017927 /nfs/dbraw/zinc/01/79/27/493017927.db2.gz XRTHWABWCTYZPR-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C[C@@H]1CCC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639537190 493017930 /nfs/dbraw/zinc/01/79/30/493017930.db2.gz XRTHWABWCTYZPR-ROUUACIJSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545126 493018727 /nfs/dbraw/zinc/01/87/27/493018727.db2.gz REIIZAOUEMCRGR-IRXDYDNUSA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545126 493018731 /nfs/dbraw/zinc/01/87/31/493018731.db2.gz REIIZAOUEMCRGR-IRXDYDNUSA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545126 493018736 /nfs/dbraw/zinc/01/87/36/493018736.db2.gz REIIZAOUEMCRGR-IRXDYDNUSA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545127 493018962 /nfs/dbraw/zinc/01/89/62/493018962.db2.gz REIIZAOUEMCRGR-SJORKVTESA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639545127 493018964 /nfs/dbraw/zinc/01/89/64/493018964.db2.gz REIIZAOUEMCRGR-SJORKVTESA-N 2 2 353.488 0.247 20 0 FCADLP CNS(=O)(=O)[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639545127 493018971 /nfs/dbraw/zinc/01/89/71/493018971.db2.gz REIIZAOUEMCRGR-SJORKVTESA-N 2 2 353.488 0.247 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632522671 493020481 /nfs/dbraw/zinc/02/04/81/493020481.db2.gz MCWLZUFIHDZJJZ-UHFFFAOYSA-N 2 2 374.551 0.333 20 0 FCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cn21 ZINC000646234116 493031596 /nfs/dbraw/zinc/03/15/96/493031596.db2.gz CXOHRYMCVLLATL-KRWDZBQOSA-N 2 2 356.474 0.874 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)CC1 ZINC000639771500 493048431 /nfs/dbraw/zinc/04/84/31/493048431.db2.gz CQQBJHSPRZFLHX-INIZCTEOSA-N 2 2 351.495 0.670 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646460914 493050888 /nfs/dbraw/zinc/05/08/88/493050888.db2.gz KTBKIZVRNUVVMQ-GOSISDBHSA-N 2 2 350.507 0.336 20 0 FCADLP CN1CC[NH+](CC2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646460914 493050891 /nfs/dbraw/zinc/05/08/91/493050891.db2.gz KTBKIZVRNUVVMQ-GOSISDBHSA-N 2 2 350.507 0.336 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646460914 493050895 /nfs/dbraw/zinc/05/08/95/493050895.db2.gz KTBKIZVRNUVVMQ-GOSISDBHSA-N 2 2 350.507 0.336 20 0 FCADLP C[NH+]1CCN(CC2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646460914 493050898 /nfs/dbraw/zinc/05/08/98/493050898.db2.gz KTBKIZVRNUVVMQ-GOSISDBHSA-N 2 2 350.507 0.336 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)CC1)[NH+]1CCOCC1 ZINC000639815363 493052123 /nfs/dbraw/zinc/05/21/23/493052123.db2.gz WNDBFTQFIAPSNX-INIZCTEOSA-N 2 2 364.494 0.532 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](n2ccnn2)CC1)[NH+]1CCOCC1 ZINC000639815363 493052127 /nfs/dbraw/zinc/05/21/27/493052127.db2.gz WNDBFTQFIAPSNX-INIZCTEOSA-N 2 2 364.494 0.532 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626921157 493063601 /nfs/dbraw/zinc/06/36/01/493063601.db2.gz TVRLGXPXUANXJI-KRWDZBQOSA-N 2 2 350.463 0.504 20 0 FCADLP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626921157 493063605 /nfs/dbraw/zinc/06/36/05/493063605.db2.gz TVRLGXPXUANXJI-KRWDZBQOSA-N 2 2 350.463 0.504 20 0 FCADLP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000626930061 493065488 /nfs/dbraw/zinc/06/54/88/493065488.db2.gz WPIZTMWYRXPMRT-MRXNPFEDSA-N 2 2 370.461 0.807 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000653069053 493066205 /nfs/dbraw/zinc/06/62/05/493066205.db2.gz AKIZAVPYWGDSEZ-INIZCTEOSA-N 2 2 366.893 0.832 20 0 FCADLP Cc1cccc([C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]2CCOCC2)c1 ZINC000626934140 493066844 /nfs/dbraw/zinc/06/68/44/493066844.db2.gz TZNFWUAJWLMFBG-SFHVURJKSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@H]1CN(c2ccc(CNC(=O)N(C)CCOCC[NH3+])c[nH+]2)CCO1 ZINC000626932294 493066903 /nfs/dbraw/zinc/06/69/03/493066903.db2.gz UZEOUEFQJMANID-AWEZNQCLSA-N 2 2 351.451 0.423 20 0 FCADLP CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653078778 493067133 /nfs/dbraw/zinc/06/71/33/493067133.db2.gz JNWVCURTFAUMML-MRXNPFEDSA-N 2 2 370.519 0.410 20 0 FCADLP C[NH2+]CCOCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626937348 493067554 /nfs/dbraw/zinc/06/75/54/493067554.db2.gz RLOKMAOBOYSBRP-KRWDZBQOSA-N 2 2 350.463 0.595 20 0 FCADLP CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079683 493067777 /nfs/dbraw/zinc/06/77/77/493067777.db2.gz JVACOAOZYCKYSD-MRXNPFEDSA-N 2 2 371.503 0.596 20 0 FCADLP CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079644 493067789 /nfs/dbraw/zinc/06/77/89/493067789.db2.gz IJWIFFISSDVEPF-MRXNPFEDSA-N 2 2 371.503 0.596 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000653089311 493068604 /nfs/dbraw/zinc/06/86/04/493068604.db2.gz FCZHKEWXFTVOOE-ZWKOTPCHSA-N 2 2 373.501 0.215 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)NCc1ccccc1-n1cc[nH+]c1 ZINC000626947897 493069056 /nfs/dbraw/zinc/06/90/56/493069056.db2.gz JAMJEROMHFATDD-INIZCTEOSA-N 2 2 366.429 0.998 20 0 FCADLP CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653100192 493069744 /nfs/dbraw/zinc/06/97/44/493069744.db2.gz JLCZRDJQRQHQIV-WFASDCNBSA-N 2 2 356.492 0.981 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br ZINC000653098334 493069815 /nfs/dbraw/zinc/06/98/15/493069815.db2.gz KCIQHJCQOYLQIN-WCQYABFASA-N 2 2 374.279 0.584 20 0 FCADLP CCN(CC[NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000626951259 493070471 /nfs/dbraw/zinc/07/04/71/493070471.db2.gz QXFWEVSRLNPCMK-UHFFFAOYSA-N 2 2 350.463 0.888 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653107248 493070985 /nfs/dbraw/zinc/07/09/85/493070985.db2.gz BPOIOKGYXBBEDS-HUUCEWRRSA-N 2 2 355.446 0.543 20 0 FCADLP CC1CCC(NC(=O)CN2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)CC1 ZINC000653116635 493073131 /nfs/dbraw/zinc/07/31/31/493073131.db2.gz NSCVBRIRGMAFQQ-JCYILVPMSA-N 2 2 367.538 0.105 20 0 FCADLP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000653124882 493076526 /nfs/dbraw/zinc/07/65/26/493076526.db2.gz KMDXUZDMFPSAEO-OAHLLOKOSA-N 2 2 374.489 0.655 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000653149037 493078096 /nfs/dbraw/zinc/07/80/96/493078096.db2.gz UMMWUFVUQADLMK-CQSZACIVSA-N 2 2 358.446 0.126 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000646649417 493078136 /nfs/dbraw/zinc/07/81/36/493078136.db2.gz DQOGZPIPGUKPRX-MRXNPFEDSA-N 2 2 359.474 0.769 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000653156034 493079004 /nfs/dbraw/zinc/07/90/04/493079004.db2.gz PEFYSIFUICDLGF-GJZGRUSLSA-N 2 2 360.524 0.118 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000653154739 493079165 /nfs/dbraw/zinc/07/91/65/493079165.db2.gz ZSFBEQNDQVSAGF-JKSUJKDBSA-N 2 2 368.428 0.851 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000653155398 493079176 /nfs/dbraw/zinc/07/91/76/493079176.db2.gz RVZUXKIOTDXDDU-KBPBESRZSA-N 2 2 356.829 0.980 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000653154716 493079408 /nfs/dbraw/zinc/07/94/08/493079408.db2.gz ZBPFWIIWJNQGMI-KBPBESRZSA-N 2 2 372.391 0.984 20 0 FCADLP C[N@H+](CCC(=O)NCC(=O)c1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051138 493080212 /nfs/dbraw/zinc/08/02/12/493080212.db2.gz IYELKXCWCWVYAI-UHFFFAOYSA-N 2 2 360.458 0.081 20 0 FCADLP C[N@@H+](CCC(=O)NCC(=O)c1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051138 493080218 /nfs/dbraw/zinc/08/02/18/493080218.db2.gz IYELKXCWCWVYAI-UHFFFAOYSA-N 2 2 360.458 0.081 20 0 FCADLP COc1cccc(COC[C@@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049682 493080437 /nfs/dbraw/zinc/08/04/37/493080437.db2.gz QLKODMJKYBWMLW-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP COc1cccc(COC[C@@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049682 493080441 /nfs/dbraw/zinc/08/04/41/493080441.db2.gz QLKODMJKYBWMLW-KRWDZBQOSA-N 2 2 365.474 0.279 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)CN1CCOCC1 ZINC000640049551 493080676 /nfs/dbraw/zinc/08/06/76/493080676.db2.gz OYEDRFONVMGTAV-YRXWBPOGSA-N 2 2 352.523 0.186 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)CN1CCOCC1 ZINC000640049551 493080677 /nfs/dbraw/zinc/08/06/77/493080677.db2.gz OYEDRFONVMGTAV-YRXWBPOGSA-N 2 2 352.523 0.186 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000653274238 493087673 /nfs/dbraw/zinc/08/76/73/493087673.db2.gz AUKYDKNLSYZZFM-HXUWFJFHSA-N 2 2 361.486 0.725 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@@H]1c1[nH+]ccn1C ZINC000627149562 493096287 /nfs/dbraw/zinc/09/62/87/493096287.db2.gz IXOQUWVDLMRLAC-NUEKZKHPSA-N 2 2 363.462 0.261 20 0 FCADLP CCN1C(=O)CO[C@@H](C(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H]1c1[nH+]ccn1C ZINC000627149562 493096289 /nfs/dbraw/zinc/09/62/89/493096289.db2.gz IXOQUWVDLMRLAC-NUEKZKHPSA-N 2 2 363.462 0.261 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000653350419 493096895 /nfs/dbraw/zinc/09/68/95/493096895.db2.gz UAUIBVUFRXEMMF-SFHVURJKSA-N 2 2 369.469 0.775 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000653350419 493096898 /nfs/dbraw/zinc/09/68/98/493096898.db2.gz UAUIBVUFRXEMMF-SFHVURJKSA-N 2 2 369.469 0.775 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000627190921 493104919 /nfs/dbraw/zinc/10/49/19/493104919.db2.gz FSRNDKRIAVPNLM-KSZLIROESA-N 2 2 360.458 0.270 20 0 FCADLP O=C(NC[C@H]1COCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000627190921 493104925 /nfs/dbraw/zinc/10/49/25/493104925.db2.gz FSRNDKRIAVPNLM-KSZLIROESA-N 2 2 360.458 0.270 20 0 FCADLP CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000640521075 493111835 /nfs/dbraw/zinc/11/18/35/493111835.db2.gz SRRBIZQPTKENAU-LSDHHAIUSA-N 2 2 356.430 0.891 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000627232496 493113315 /nfs/dbraw/zinc/11/33/15/493113315.db2.gz DDMXFYQUALZDHZ-KRWDZBQOSA-N 2 2 370.461 0.235 20 0 FCADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000633076928 493115744 /nfs/dbraw/zinc/11/57/44/493115744.db2.gz OQEWSFIPTGRWIN-CALCHBBNSA-N 2 2 372.469 0.172 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000653391624 493116040 /nfs/dbraw/zinc/11/60/40/493116040.db2.gz GXNXFFYNQGYVBW-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)CC1 ZINC000640562638 493117371 /nfs/dbraw/zinc/11/73/71/493117371.db2.gz JPYATPLPMXLLPK-GDBMZVCRSA-N 2 2 359.392 0.885 20 0 FCADLP C[C@H](COCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653397937 493119361 /nfs/dbraw/zinc/11/93/61/493119361.db2.gz CPRMFJDJQONHEI-ZBFHGGJFSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](COCC1CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653397937 493119366 /nfs/dbraw/zinc/11/93/66/493119366.db2.gz CPRMFJDJQONHEI-ZBFHGGJFSA-N 2 2 366.506 0.202 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633087762 493119517 /nfs/dbraw/zinc/11/95/17/493119517.db2.gz MKURGZXLZLHKFG-CALCHBBNSA-N 2 2 372.469 0.302 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633089670 493120847 /nfs/dbraw/zinc/12/08/47/493120847.db2.gz RWCKPXCJQRZYEU-HOTGVXAUSA-N 2 2 353.426 0.463 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)n1C ZINC000633092740 493122661 /nfs/dbraw/zinc/12/26/61/493122661.db2.gz LSKJUMGOWILXQX-UHFFFAOYSA-N 2 2 372.477 0.346 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2nnc([C@@H]3CCCO3)s2)CC1 ZINC000640735662 493126168 /nfs/dbraw/zinc/12/61/68/493126168.db2.gz OSNNBMZQWHARLZ-ZDUSSCGKSA-N 2 2 368.507 1.537 20 0 FCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000633138416 493135609 /nfs/dbraw/zinc/13/56/09/493135609.db2.gz BQVBFKSCBIDFQM-GDBMZVCRSA-N 2 2 355.442 0.838 20 0 FCADLP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000627293477 493137290 /nfs/dbraw/zinc/13/72/90/493137290.db2.gz UYYKOAUZCANYRF-HNNXBMFYSA-N 2 2 370.881 0.493 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+](C)C1 ZINC000646990556 493142802 /nfs/dbraw/zinc/14/28/02/493142802.db2.gz PLZOHOCDHZDDDK-MRXNPFEDSA-N 2 2 361.490 0.821 20 0 FCADLP CCCN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](C)C1 ZINC000646990556 493142806 /nfs/dbraw/zinc/14/28/06/493142806.db2.gz PLZOHOCDHZDDDK-MRXNPFEDSA-N 2 2 361.490 0.821 20 0 FCADLP C[NH2+][C@@H](C)c1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000640873797 493143047 /nfs/dbraw/zinc/14/30/47/493143047.db2.gz AMGXKZHPXITOEO-HNNXBMFYSA-N 2 2 372.473 0.707 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627319458 493149857 /nfs/dbraw/zinc/14/98/57/493149857.db2.gz UIJIFOMFHHKFLC-OAGGEKHMSA-N 2 2 368.522 0.447 20 0 FCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659099330 493151758 /nfs/dbraw/zinc/15/17/58/493151758.db2.gz ZITOOPNPAKNDQX-INIZCTEOSA-N 2 2 374.441 0.040 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(CC[NH+](C)C)nn1 ZINC000641171112 493174644 /nfs/dbraw/zinc/17/46/44/493174644.db2.gz MQCODJVKXUHFKZ-OAHLLOKOSA-N 2 2 357.462 0.687 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000659444178 493180391 /nfs/dbraw/zinc/18/03/91/493180391.db2.gz XEIVFZLSALQLCO-HNNXBMFYSA-N 2 2 350.463 0.805 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641214266 493181374 /nfs/dbraw/zinc/18/13/74/493181374.db2.gz BGOTXJBOBCLBMN-IBGZPJMESA-N 2 2 359.474 0.646 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641214266 493181379 /nfs/dbraw/zinc/18/13/79/493181379.db2.gz BGOTXJBOBCLBMN-IBGZPJMESA-N 2 2 359.474 0.646 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)O1 ZINC000666449808 493185604 /nfs/dbraw/zinc/18/56/04/493185604.db2.gz JCKCRKYKEUPNTH-YHUYYLMFSA-N 2 2 374.445 0.337 20 0 FCADLP Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cnn1C ZINC000659313159 493188362 /nfs/dbraw/zinc/18/83/62/493188362.db2.gz GXVHIVSMUABNLP-BHYGNILZSA-N 2 2 354.458 0.822 20 0 FCADLP Cc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c(N2CCCC2)[nH+]1 ZINC000659478221 493189905 /nfs/dbraw/zinc/18/99/05/493189905.db2.gz ARMDRUINJYTCOX-UHFFFAOYSA-N 2 2 371.445 0.944 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000681604266 493194793 /nfs/dbraw/zinc/19/47/93/493194793.db2.gz AMOLDHAGVSGKQA-OAHLLOKOSA-N 2 2 360.487 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000681604266 493194801 /nfs/dbraw/zinc/19/48/01/493194801.db2.gz AMOLDHAGVSGKQA-OAHLLOKOSA-N 2 2 360.487 0.931 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000627390477 493197469 /nfs/dbraw/zinc/19/74/69/493197469.db2.gz NBWXURHBNXIOBN-VXGBXAGGSA-N 2 2 361.368 0.375 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3cccc(O)c3)C2)CC1 ZINC000681729841 493211488 /nfs/dbraw/zinc/21/14/88/493211488.db2.gz DEJFPHINNQCNGB-HNNXBMFYSA-N 2 2 360.458 0.407 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3cccc(O)c3)C2)CC1 ZINC000681729841 493211490 /nfs/dbraw/zinc/21/14/90/493211490.db2.gz DEJFPHINNQCNGB-HNNXBMFYSA-N 2 2 360.458 0.407 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC(=O)N1C ZINC000659557624 493212510 /nfs/dbraw/zinc/21/25/10/493212510.db2.gz SXSDOVCMTWFCQF-NMNMXBMNSA-N 2 2 374.489 0.769 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000672597621 493213067 /nfs/dbraw/zinc/21/30/67/493213067.db2.gz MTJSHCKOXGXJPW-SJORKVTESA-N 2 2 368.522 0.593 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(C)C ZINC000672597621 493213070 /nfs/dbraw/zinc/21/30/70/493213070.db2.gz MTJSHCKOXGXJPW-SJORKVTESA-N 2 2 368.522 0.593 20 0 FCADLP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000666692047 493217781 /nfs/dbraw/zinc/21/77/81/493217781.db2.gz YPGQKMHMKPQWKH-RHSMWYFYSA-N 2 2 360.458 0.968 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(O)(C(F)F)CC3)C2)CC1 ZINC000681790526 493218290 /nfs/dbraw/zinc/21/82/90/493218290.db2.gz AUOWWFSOLBNXPC-ZDUSSCGKSA-N 2 2 360.449 0.957 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(O)(C(F)F)CC3)C2)CC1 ZINC000681790526 493218294 /nfs/dbraw/zinc/21/82/94/493218294.db2.gz AUOWWFSOLBNXPC-ZDUSSCGKSA-N 2 2 360.449 0.957 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672637421 493220053 /nfs/dbraw/zinc/22/00/53/493220053.db2.gz GTFBSZYZBGBTIY-QKPAOTATSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672637421 493220056 /nfs/dbraw/zinc/22/00/56/493220056.db2.gz GTFBSZYZBGBTIY-QKPAOTATSA-N 2 2 366.506 0.343 20 0 FCADLP C[C@@H]1N(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637742 493220195 /nfs/dbraw/zinc/22/01/95/493220195.db2.gz NWOATNVUHNBAOR-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1N(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000672637742 493220197 /nfs/dbraw/zinc/22/01/97/493220197.db2.gz NWOATNVUHNBAOR-LSDHHAIUSA-N 2 2 366.506 0.297 20 0 FCADLP CCCC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638074 493220293 /nfs/dbraw/zinc/22/02/93/493220293.db2.gz DCPKHCNPZUDADB-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP CCCC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638074 493220294 /nfs/dbraw/zinc/22/02/94/493220294.db2.gz DCPKHCNPZUDADB-HZPDHXFCSA-N 2 2 368.522 0.593 20 0 FCADLP C[C@H]1COC(C)(C)CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637691 493221033 /nfs/dbraw/zinc/22/10/33/493221033.db2.gz MNHWXQLNFRJFCB-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1COC(C)(C)CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637691 493221036 /nfs/dbraw/zinc/22/10/36/493221036.db2.gz MNHWXQLNFRJFCB-GJZGRUSLSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639032 493221873 /nfs/dbraw/zinc/22/18/73/493221873.db2.gz XWGBXCASRIZXON-DOTOQJQBSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639032 493221876 /nfs/dbraw/zinc/22/18/76/493221876.db2.gz XWGBXCASRIZXON-DOTOQJQBSA-N 2 2 350.507 0.918 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638373 493222238 /nfs/dbraw/zinc/22/22/38/493222238.db2.gz RYAFJEZBIIWGGE-ZBFHGGJFSA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000672638373 493222241 /nfs/dbraw/zinc/22/22/41/493222241.db2.gz RYAFJEZBIIWGGE-ZBFHGGJFSA-N 2 2 354.495 0.058 20 0 FCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000666757311 493222389 /nfs/dbraw/zinc/22/23/89/493222389.db2.gz QPZZFYZOUPQZDB-QGZVFWFLSA-N 2 2 356.511 0.443 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640912 493224395 /nfs/dbraw/zinc/22/43/95/493224395.db2.gz LZSKPNINORXCCQ-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640912 493224398 /nfs/dbraw/zinc/22/43/98/493224398.db2.gz LZSKPNINORXCCQ-RDJZCZTQSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(F)cn3)C2)CC1 ZINC000672640923 493224670 /nfs/dbraw/zinc/22/46/70/493224670.db2.gz MCOREYBFMVRNTI-OAHLLOKOSA-N 2 2 363.437 0.122 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(F)cn3)C2)CC1 ZINC000672640923 493224674 /nfs/dbraw/zinc/22/46/74/493224674.db2.gz MCOREYBFMVRNTI-OAHLLOKOSA-N 2 2 363.437 0.122 20 0 FCADLP COC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640794 493224774 /nfs/dbraw/zinc/22/47/74/493224774.db2.gz AJGRRRXWHRMWCG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP COC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640794 493224779 /nfs/dbraw/zinc/22/47/79/493224779.db2.gz AJGRRRXWHRMWCG-JKSUJKDBSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640864 493224943 /nfs/dbraw/zinc/22/49/43/493224943.db2.gz KYXOAYYTOIFQDZ-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672640864 493224946 /nfs/dbraw/zinc/22/49/46/493224946.db2.gz KYXOAYYTOIFQDZ-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCC4)C3)C2)CC1 ZINC000672640739 493225196 /nfs/dbraw/zinc/22/51/96/493225196.db2.gz ZBJXEBJXVCHIFO-OAHLLOKOSA-N 2 2 364.490 0.053 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCC4)C3)C2)CC1 ZINC000672640739 493225198 /nfs/dbraw/zinc/22/51/98/493225198.db2.gz ZBJXEBJXVCHIFO-OAHLLOKOSA-N 2 2 364.490 0.053 20 0 FCADLP C[C@H]1CSCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642633 493225777 /nfs/dbraw/zinc/22/57/77/493225777.db2.gz QUJQDTKUPQFXCM-CABCVRRESA-N 2 2 368.547 0.483 20 0 FCADLP C[C@H]1CSCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672642633 493225778 /nfs/dbraw/zinc/22/57/78/493225778.db2.gz QUJQDTKUPQFXCM-CABCVRRESA-N 2 2 368.547 0.483 20 0 FCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642037 493226227 /nfs/dbraw/zinc/22/62/27/493226227.db2.gz WLBPUTAYPSQYIL-CABCVRRESA-N 2 2 368.522 0.591 20 0 FCADLP COC(C)(C)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642037 493226230 /nfs/dbraw/zinc/22/62/30/493226230.db2.gz WLBPUTAYPSQYIL-CABCVRRESA-N 2 2 368.522 0.591 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000672641774 493226247 /nfs/dbraw/zinc/22/62/47/493226247.db2.gz TVSZEYKVSJLODJ-ZIAGYGMSSA-N 2 2 354.520 0.140 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000672641774 493226250 /nfs/dbraw/zinc/22/62/50/493226250.db2.gz TVSZEYKVSJLODJ-ZIAGYGMSSA-N 2 2 354.520 0.140 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC(=O)N1C ZINC000659640746 493227212 /nfs/dbraw/zinc/22/72/12/493227212.db2.gz IULXTFMXWIBCHK-URLQWDBASA-N 2 2 374.489 0.867 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH+](C)C ZINC000672650692 493229402 /nfs/dbraw/zinc/22/94/02/493229402.db2.gz YYUVQXVVEJYUDG-RHSMWYFYSA-N 2 2 355.442 0.897 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000672693853 493233849 /nfs/dbraw/zinc/23/38/49/493233849.db2.gz IGYGPSXRHFMDHI-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659693012 493256887 /nfs/dbraw/zinc/25/68/87/493256887.db2.gz YIJYGXACARJLQK-UHFFFAOYSA-N 3 2 365.522 0.049 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000667298007 493274348 /nfs/dbraw/zinc/27/43/48/493274348.db2.gz ZQQZRZCKUWXDHA-UHFFFAOYSA-N 2 2 373.501 0.631 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000667328045 493276407 /nfs/dbraw/zinc/27/64/07/493276407.db2.gz CPGQQDRRAZBHOE-QGZVFWFLSA-N 2 2 373.501 0.852 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000667328045 493276411 /nfs/dbraw/zinc/27/64/11/493276411.db2.gz CPGQQDRRAZBHOE-QGZVFWFLSA-N 2 2 373.501 0.852 20 0 FCADLP CC(C)n1nccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270553 493284403 /nfs/dbraw/zinc/28/44/03/493284403.db2.gz XLPVIQXZMJLDGU-AWEZNQCLSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1nccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270553 493284405 /nfs/dbraw/zinc/28/44/05/493284405.db2.gz XLPVIQXZMJLDGU-AWEZNQCLSA-N 2 2 362.478 0.687 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659836719 493294097 /nfs/dbraw/zinc/29/40/97/493294097.db2.gz DQLOFYVYBBORIE-HDICACEKSA-N 2 2 354.539 0.972 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659836719 493294098 /nfs/dbraw/zinc/29/40/98/493294098.db2.gz DQLOFYVYBBORIE-HDICACEKSA-N 2 2 354.539 0.972 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144082 493295212 /nfs/dbraw/zinc/29/52/12/493295212.db2.gz PLVFWGOYNNCSGL-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000673144082 493295214 /nfs/dbraw/zinc/29/52/14/493295214.db2.gz PLVFWGOYNNCSGL-IAGOWNOFSA-N 2 2 368.522 0.401 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659878235 493297059 /nfs/dbraw/zinc/29/70/59/493297059.db2.gz JSEGSYUXFSOWDM-KURKYZTESA-N 2 2 370.538 0.254 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000659897978 493299965 /nfs/dbraw/zinc/29/99/65/493299965.db2.gz IAJHBYRCXVESIA-JTDSTZFVSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000659897978 493299967 /nfs/dbraw/zinc/29/99/67/493299967.db2.gz IAJHBYRCXVESIA-JTDSTZFVSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000659897978 493299969 /nfs/dbraw/zinc/29/99/69/493299969.db2.gz IAJHBYRCXVESIA-JTDSTZFVSA-N 2 2 366.506 0.108 20 0 FCADLP C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000659897978 493299972 /nfs/dbraw/zinc/29/99/72/493299972.db2.gz IAJHBYRCXVESIA-JTDSTZFVSA-N 2 2 366.506 0.108 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673180950 493299994 /nfs/dbraw/zinc/29/99/94/493299994.db2.gz KLGJWCNKAFTMSR-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP CN(C(=O)C(=O)N[C@@H]1CCCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673180950 493299997 /nfs/dbraw/zinc/29/99/97/493299997.db2.gz KLGJWCNKAFTMSR-NVXWUHKLSA-N 2 2 366.506 0.299 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000673284843 493312068 /nfs/dbraw/zinc/31/20/68/493312068.db2.gz NPHWQUOFOPVJJI-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000673284843 493312070 /nfs/dbraw/zinc/31/20/70/493312070.db2.gz NPHWQUOFOPVJJI-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000673284843 493312071 /nfs/dbraw/zinc/31/20/71/493312071.db2.gz NPHWQUOFOPVJJI-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000673284843 493312073 /nfs/dbraw/zinc/31/20/73/493312073.db2.gz NPHWQUOFOPVJJI-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000673287252 493312212 /nfs/dbraw/zinc/31/22/12/493312212.db2.gz XDSFJIIDTVPHSA-SFHVURJKSA-N 2 2 356.470 0.986 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000673287252 493312216 /nfs/dbraw/zinc/31/22/16/493312216.db2.gz XDSFJIIDTVPHSA-SFHVURJKSA-N 2 2 356.470 0.986 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000673304199 493315811 /nfs/dbraw/zinc/31/58/11/493315811.db2.gz QFEAAKYBUDQZCD-INIZCTEOSA-N 2 2 370.457 0.830 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660616076 493366690 /nfs/dbraw/zinc/36/66/90/493366690.db2.gz ZDCDVNFXMSWKNO-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656554 493370431 /nfs/dbraw/zinc/37/04/31/493370431.db2.gz LUPFQJBRQPKBLO-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656554 493370434 /nfs/dbraw/zinc/37/04/34/493370434.db2.gz LUPFQJBRQPKBLO-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656554 493370435 /nfs/dbraw/zinc/37/04/35/493370435.db2.gz LUPFQJBRQPKBLO-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656554 493370437 /nfs/dbraw/zinc/37/04/37/493370437.db2.gz LUPFQJBRQPKBLO-XLIONFOSSA-N 2 2 372.517 0.931 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCN(c2cnccn2)CC1 ZINC000683780622 493370813 /nfs/dbraw/zinc/37/08/13/493370813.db2.gz LRCBIZXPTJWKSQ-MRXNPFEDSA-N 2 2 355.446 0.659 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCN(c2cnccn2)CC1 ZINC000683780622 493370815 /nfs/dbraw/zinc/37/08/15/493370815.db2.gz LRCBIZXPTJWKSQ-MRXNPFEDSA-N 2 2 355.446 0.659 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660717564 493376127 /nfs/dbraw/zinc/37/61/27/493376127.db2.gz ZXSIKWLOQMCFGU-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660717564 493376129 /nfs/dbraw/zinc/37/61/29/493376129.db2.gz ZXSIKWLOQMCFGU-MRXNPFEDSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660717561 493376396 /nfs/dbraw/zinc/37/63/96/493376396.db2.gz ZXSIKWLOQMCFGU-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660717561 493376400 /nfs/dbraw/zinc/37/64/00/493376400.db2.gz ZXSIKWLOQMCFGU-INIZCTEOSA-N 2 2 354.495 0.650 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979981 493379509 /nfs/dbraw/zinc/37/95/09/493379509.db2.gz KVDSSHBOEUOVEI-QAPCUYQASA-N 3 2 369.579 0.891 20 0 FCADLP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000673979981 493379510 /nfs/dbraw/zinc/37/95/10/493379510.db2.gz KVDSSHBOEUOVEI-QAPCUYQASA-N 3 2 369.579 0.891 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000683947741 493381343 /nfs/dbraw/zinc/38/13/43/493381343.db2.gz ODDDURXLEGLKDK-ROUUACIJSA-N 2 2 367.515 0.968 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000683949216 493381439 /nfs/dbraw/zinc/38/14/39/493381439.db2.gz GORVKCLXOMEURN-UHFFFAOYSA-N 2 2 355.504 0.825 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000683949216 493381442 /nfs/dbraw/zinc/38/14/42/493381442.db2.gz GORVKCLXOMEURN-UHFFFAOYSA-N 2 2 355.504 0.825 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610769 493383703 /nfs/dbraw/zinc/38/37/03/493383703.db2.gz GVZSWMOPHFJWBC-JQHSSLGASA-N 2 2 362.474 0.645 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000668610769 493383704 /nfs/dbraw/zinc/38/37/04/493383704.db2.gz GVZSWMOPHFJWBC-JQHSSLGASA-N 2 2 362.474 0.645 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000683982605 493384085 /nfs/dbraw/zinc/38/40/85/493384085.db2.gz ONCAVGZNAJQUNF-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3sccc3S(N)(=O)=O)C2)CC1 ZINC000668640876 493388965 /nfs/dbraw/zinc/38/89/65/493388965.db2.gz YFPSDQNVZGVMND-NSHDSACASA-N 2 2 372.516 0.294 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3sccc3S(N)(=O)=O)C2)CC1 ZINC000668640876 493388966 /nfs/dbraw/zinc/38/89/66/493388966.db2.gz YFPSDQNVZGVMND-NSHDSACASA-N 2 2 372.516 0.294 20 0 FCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000668643569 493389246 /nfs/dbraw/zinc/38/92/46/493389246.db2.gz KEOFPACDOHCAGQ-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000668643569 493389250 /nfs/dbraw/zinc/38/92/50/493389250.db2.gz KEOFPACDOHCAGQ-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP CCC[NH+]1CC[C@H](NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000668643569 493389257 /nfs/dbraw/zinc/38/92/57/493389257.db2.gz KEOFPACDOHCAGQ-HNNXBMFYSA-N 2 2 364.515 0.823 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000668649490 493390635 /nfs/dbraw/zinc/39/06/35/493390635.db2.gz WKKZWAGTOGJVSA-OAHLLOKOSA-N 2 2 374.489 0.492 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000668649490 493390639 /nfs/dbraw/zinc/39/06/39/493390639.db2.gz WKKZWAGTOGJVSA-OAHLLOKOSA-N 2 2 374.489 0.492 20 0 FCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668652027 493391560 /nfs/dbraw/zinc/39/15/60/493391560.db2.gz RDWIETATVXVVTE-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668652027 493391562 /nfs/dbraw/zinc/39/15/62/493391562.db2.gz RDWIETATVXVVTE-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000668720996 493401260 /nfs/dbraw/zinc/40/12/60/493401260.db2.gz FWMTTYFDERNCFV-QGZVFWFLSA-N 2 2 350.507 0.966 20 0 FCADLP CC(=O)N1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375531 493409185 /nfs/dbraw/zinc/40/91/85/493409185.db2.gz QENONWQMWDHNIF-SJORKVTESA-N 2 2 365.522 0.713 20 0 FCADLP CC(=O)N1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000684375531 493409188 /nfs/dbraw/zinc/40/91/88/493409188.db2.gz QENONWQMWDHNIF-SJORKVTESA-N 2 2 365.522 0.713 20 0 FCADLP O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608009 493452376 /nfs/dbraw/zinc/45/23/76/493452376.db2.gz KMZKVIJPNKINKH-RBUKOAKNSA-N 2 2 370.497 0.931 20 0 FCADLP O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661608009 493452378 /nfs/dbraw/zinc/45/23/78/493452378.db2.gz KMZKVIJPNKINKH-RBUKOAKNSA-N 2 2 370.497 0.931 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000669092045 493462904 /nfs/dbraw/zinc/46/29/04/493462904.db2.gz WLBFPCBWXYCEDL-INIZCTEOSA-N 2 2 363.462 0.021 20 0 FCADLP CC[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000661760598 493464414 /nfs/dbraw/zinc/46/44/14/493464414.db2.gz ISWAGXPWLFTMTD-OAHLLOKOSA-N 2 2 357.462 0.790 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC(=O)N(C)CC3)CC2)cc1 ZINC000661808249 493466202 /nfs/dbraw/zinc/46/62/02/493466202.db2.gz QFNXTNBMAPGJAX-UHFFFAOYSA-N 2 2 374.485 0.504 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC(=O)N(C)CC3)CC2)cc1 ZINC000661808249 493466203 /nfs/dbraw/zinc/46/62/03/493466203.db2.gz QFNXTNBMAPGJAX-UHFFFAOYSA-N 2 2 374.485 0.504 20 0 FCADLP Cc1[nH+]c(NC[C@](C)(O)C[NH+](C)C)nc(NC[C@](C)(O)C[NH+](C)C)c1F ZINC000685273085 493470923 /nfs/dbraw/zinc/47/09/23/493470923.db2.gz PPGSDGCEVRODFX-IRXDYDNUSA-N 3 2 372.489 0.373 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685343053 493481252 /nfs/dbraw/zinc/48/12/52/493481252.db2.gz KQDGGBLCTRCRTM-KLHDSHLOSA-N 2 2 363.462 0.128 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343053 493481255 /nfs/dbraw/zinc/48/12/55/493481255.db2.gz KQDGGBLCTRCRTM-KLHDSHLOSA-N 2 2 363.462 0.128 20 0 FCADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412463 493489122 /nfs/dbraw/zinc/48/91/22/493489122.db2.gz XOWBRZQCOPEWBE-HNNXBMFYSA-N 2 2 364.515 0.769 20 0 FCADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412463 493489125 /nfs/dbraw/zinc/48/91/25/493489125.db2.gz XOWBRZQCOPEWBE-HNNXBMFYSA-N 2 2 364.515 0.769 20 0 FCADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412463 493489127 /nfs/dbraw/zinc/48/91/27/493489127.db2.gz XOWBRZQCOPEWBE-HNNXBMFYSA-N 2 2 364.515 0.769 20 0 FCADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N3CCNC(=O)C3)C2)s1 ZINC000685412463 493489129 /nfs/dbraw/zinc/48/91/29/493489129.db2.gz XOWBRZQCOPEWBE-HNNXBMFYSA-N 2 2 364.515 0.769 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662156286 493492999 /nfs/dbraw/zinc/49/29/99/493492999.db2.gz LIEWXFCFUANMRY-HNNXBMFYSA-N 2 2 350.463 0.382 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662156286 493493002 /nfs/dbraw/zinc/49/30/02/493493002.db2.gz LIEWXFCFUANMRY-HNNXBMFYSA-N 2 2 350.463 0.382 20 0 FCADLP CN(C(=O)CNC(=O)c1ccc(O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675606200 493494830 /nfs/dbraw/zinc/49/48/30/493494830.db2.gz YDGZQFJAXUMZRV-KRWDZBQOSA-N 2 2 374.485 0.749 20 0 FCADLP CN(C(=O)CNC(=O)c1ccc(O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675606200 493494834 /nfs/dbraw/zinc/49/48/34/493494834.db2.gz YDGZQFJAXUMZRV-KRWDZBQOSA-N 2 2 374.485 0.749 20 0 FCADLP C[C@H]1[C@H](C)[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000662223801 493498777 /nfs/dbraw/zinc/49/87/77/493498777.db2.gz MPBCXIAIZYDKPC-PMACEKPBSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@H]1[C@H](C)[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000662223801 493498779 /nfs/dbraw/zinc/49/87/79/493498779.db2.gz MPBCXIAIZYDKPC-PMACEKPBSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000669397196 493502261 /nfs/dbraw/zinc/50/22/61/493502261.db2.gz AUZNTPWOGBFIOS-JKSUJKDBSA-N 2 2 361.494 0.225 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000669397234 493502293 /nfs/dbraw/zinc/50/22/93/493502293.db2.gz KHNZHPZQHQMFHH-GVDBMIGSSA-N 2 2 373.505 0.367 20 0 FCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000669397195 493502325 /nfs/dbraw/zinc/50/23/25/493502325.db2.gz AUZNTPWOGBFIOS-HZPDHXFCSA-N 2 2 361.494 0.225 20 0 FCADLP COc1cccc(CN(C)C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1OC ZINC000662286252 493502529 /nfs/dbraw/zinc/50/25/29/493502529.db2.gz OZEAYQRFUFHVKN-UHFFFAOYSA-N 2 2 351.447 0.366 20 0 FCADLP COCCOc1ccc(CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662287054 493503323 /nfs/dbraw/zinc/50/33/23/493503323.db2.gz RBCZXALRNTYXNE-UHFFFAOYSA-N 2 2 351.447 0.032 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685564049 493503405 /nfs/dbraw/zinc/50/34/05/493503405.db2.gz MQLPNTVMYUKPRI-CRAIPNDOSA-N 2 2 357.458 0.571 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685564049 493503407 /nfs/dbraw/zinc/50/34/07/493503407.db2.gz MQLPNTVMYUKPRI-CRAIPNDOSA-N 2 2 357.458 0.571 20 0 FCADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000675781862 493503510 /nfs/dbraw/zinc/50/35/10/493503510.db2.gz FCHNJZZESNRMMT-CQSZACIVSA-N 2 2 368.503 0.873 20 0 FCADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000669430934 493503615 /nfs/dbraw/zinc/50/36/15/493503615.db2.gz AUXHKNLAJHEUAB-INIZCTEOSA-N 2 2 374.489 0.562 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000662293279 493504377 /nfs/dbraw/zinc/50/43/77/493504377.db2.gz FRROMECJNWZLJA-IRXDYDNUSA-N 2 2 371.547 0.734 20 0 FCADLP CCN(C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000662293279 493504379 /nfs/dbraw/zinc/50/43/79/493504379.db2.gz FRROMECJNWZLJA-IRXDYDNUSA-N 2 2 371.547 0.734 20 0 FCADLP NC(=O)Cc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000685656608 493508011 /nfs/dbraw/zinc/50/80/11/493508011.db2.gz WNRRZWDUSOGTAX-UHFFFAOYSA-N 2 2 360.502 0.601 20 0 FCADLP NC(=O)Cc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000685656608 493508012 /nfs/dbraw/zinc/50/80/12/493508012.db2.gz WNRRZWDUSOGTAX-UHFFFAOYSA-N 2 2 360.502 0.601 20 0 FCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)c1cccc(Cl)c1 ZINC000669513943 493508198 /nfs/dbraw/zinc/50/81/98/493508198.db2.gz DTKZPLBMCUHZCE-GOEBONIOSA-N 2 2 350.850 0.763 20 0 FCADLP COc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c(OC)n1 ZINC000685665317 493508225 /nfs/dbraw/zinc/50/82/25/493508225.db2.gz FZMGCEPPIBFWMJ-UHFFFAOYSA-N 2 2 364.490 0.985 20 0 FCADLP COc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c(OC)n1 ZINC000685665317 493508227 /nfs/dbraw/zinc/50/82/27/493508227.db2.gz FZMGCEPPIBFWMJ-UHFFFAOYSA-N 2 2 364.490 0.985 20 0 FCADLP Cc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662356606 493509229 /nfs/dbraw/zinc/50/92/29/493509229.db2.gz OUIJEIIKLVJPOO-MRXNPFEDSA-N 2 2 355.446 0.474 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000662531663 493524082 /nfs/dbraw/zinc/52/40/82/493524082.db2.gz ZQIOWXBBAIGPEU-XHSDSOJGSA-N 2 2 362.478 0.494 20 0 FCADLP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662690081 493532216 /nfs/dbraw/zinc/53/22/16/493532216.db2.gz ZFEQVRFCRMOBJY-JKSUJKDBSA-N 2 2 362.478 0.530 20 0 FCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662697613 493532689 /nfs/dbraw/zinc/53/26/89/493532689.db2.gz GSDSCKIURWNNBR-FUHWJXTLSA-N 2 2 363.458 0.378 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662715257 493534242 /nfs/dbraw/zinc/53/42/42/493534242.db2.gz RHTXACDSEMBHBZ-CQSZACIVSA-N 2 2 350.467 0.433 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662715257 493534243 /nfs/dbraw/zinc/53/42/43/493534243.db2.gz RHTXACDSEMBHBZ-CQSZACIVSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676263556 493538130 /nfs/dbraw/zinc/53/81/30/493538130.db2.gz GAOOETSGUXHMKX-GOEBONIOSA-N 2 2 366.466 0.056 20 0 FCADLP C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676263556 493538133 /nfs/dbraw/zinc/53/81/33/493538133.db2.gz GAOOETSGUXHMKX-GOEBONIOSA-N 2 2 366.466 0.056 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000676288477 493542032 /nfs/dbraw/zinc/54/20/32/493542032.db2.gz NLBBJFZSRKFOSC-YESZJQIVSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000676288477 493542033 /nfs/dbraw/zinc/54/20/33/493542033.db2.gz NLBBJFZSRKFOSC-YESZJQIVSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676288477 493542035 /nfs/dbraw/zinc/54/20/35/493542035.db2.gz NLBBJFZSRKFOSC-YESZJQIVSA-N 2 2 355.527 0.277 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676288477 493542036 /nfs/dbraw/zinc/54/20/36/493542036.db2.gz NLBBJFZSRKFOSC-YESZJQIVSA-N 2 2 355.527 0.277 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662794697 493542593 /nfs/dbraw/zinc/54/25/93/493542593.db2.gz HQWAISZUEKJMJI-GJZGRUSLSA-N 2 2 355.446 0.996 20 0 FCADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662797356 493542922 /nfs/dbraw/zinc/54/29/22/493542922.db2.gz YILQWOVXXRQOPK-ROUUACIJSA-N 2 2 363.458 0.582 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662810261 493543996 /nfs/dbraw/zinc/54/39/96/493543996.db2.gz PNWRYPAKGGGHMF-CAOSSQGBSA-N 2 2 353.442 0.155 20 0 FCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662810261 493543997 /nfs/dbraw/zinc/54/39/97/493543997.db2.gz PNWRYPAKGGGHMF-CAOSSQGBSA-N 2 2 353.442 0.155 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676309633 493544480 /nfs/dbraw/zinc/54/44/80/493544480.db2.gz FSFCSAWXUHGDND-UHFFFAOYSA-N 2 2 360.462 0.058 20 0 FCADLP CC(=O)N[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000662853634 493547597 /nfs/dbraw/zinc/54/75/97/493547597.db2.gz RCLNQYWLEJPURC-WMZOPIPTSA-N 2 2 355.442 0.538 20 0 FCADLP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901105 493550302 /nfs/dbraw/zinc/55/03/02/493550302.db2.gz SPYADMCEWNCIRB-GDBMZVCRSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901105 493550304 /nfs/dbraw/zinc/55/03/04/493550304.db2.gz SPYADMCEWNCIRB-GDBMZVCRSA-N 3 2 360.506 0.727 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662943966 493558243 /nfs/dbraw/zinc/55/82/43/493558243.db2.gz GGWGKEZSRXDMCQ-IRXDYDNUSA-N 2 2 373.501 0.974 20 0 FCADLP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662950250 493559500 /nfs/dbraw/zinc/55/95/00/493559500.db2.gz KHERCBAQCYGVJD-SFHVURJKSA-N 2 2 374.485 0.297 20 0 FCADLP CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670435848 493566902 /nfs/dbraw/zinc/56/69/02/493566902.db2.gz CQHSOKFMYZMVKQ-INIZCTEOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(Cc1ccncc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670435848 493566904 /nfs/dbraw/zinc/56/69/04/493566904.db2.gz CQHSOKFMYZMVKQ-INIZCTEOSA-N 2 2 359.474 0.325 20 0 FCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1C[NH+](C)Cc3ccccc31)CC2 ZINC000670438334 493567540 /nfs/dbraw/zinc/56/75/40/493567540.db2.gz GDZDRUADWSTMFC-RYRKJORJSA-N 2 2 356.470 0.984 20 0 FCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1C[NH+](C)Cc3ccccc31)CC2 ZINC000670438334 493567541 /nfs/dbraw/zinc/56/75/41/493567541.db2.gz GDZDRUADWSTMFC-RYRKJORJSA-N 2 2 356.470 0.984 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1C[N@H+](C)Cc3ccccc31)CC2 ZINC000670438334 493567543 /nfs/dbraw/zinc/56/75/43/493567543.db2.gz GDZDRUADWSTMFC-RYRKJORJSA-N 2 2 356.470 0.984 20 0 FCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc3ccccc31)CC2 ZINC000670438334 493567544 /nfs/dbraw/zinc/56/75/44/493567544.db2.gz GDZDRUADWSTMFC-RYRKJORJSA-N 2 2 356.470 0.984 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000670479324 493572383 /nfs/dbraw/zinc/57/23/83/493572383.db2.gz JFRANSFTBBMHNS-UHFFFAOYSA-N 2 2 361.471 0.795 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537241 493578160 /nfs/dbraw/zinc/57/81/60/493578160.db2.gz GVAPXGLUWFGBFW-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000670537241 493578162 /nfs/dbraw/zinc/57/81/62/493578162.db2.gz GVAPXGLUWFGBFW-QGZVFWFLSA-N 2 2 374.485 0.516 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663403232 493587493 /nfs/dbraw/zinc/58/74/93/493587493.db2.gz JEUITTVJXHCTDS-KRWDZBQOSA-N 2 2 354.495 0.605 20 0 FCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000677184307 493588915 /nfs/dbraw/zinc/58/89/15/493588915.db2.gz ZYOMNKOBNYUQTK-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000677184307 493588917 /nfs/dbraw/zinc/58/89/17/493588917.db2.gz ZYOMNKOBNYUQTK-SJORKVTESA-N 2 2 366.506 0.252 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000670813153 493599456 /nfs/dbraw/zinc/59/94/56/493599456.db2.gz JZVDDLVVWZRGEX-IAGOWNOFSA-N 2 2 368.522 0.450 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000670813154 493599917 /nfs/dbraw/zinc/59/99/17/493599917.db2.gz JZVDDLVVWZRGEX-IRXDYDNUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000663578585 493601378 /nfs/dbraw/zinc/60/13/78/493601378.db2.gz GSQCJEHSFQUAOX-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000663578585 493601380 /nfs/dbraw/zinc/60/13/80/493601380.db2.gz GSQCJEHSFQUAOX-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)CO1 ZINC000663578585 493601383 /nfs/dbraw/zinc/60/13/83/493601383.db2.gz GSQCJEHSFQUAOX-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CCN(C)C)CC2)[C@@H](C)CO1 ZINC000663578585 493601385 /nfs/dbraw/zinc/60/13/85/493601385.db2.gz GSQCJEHSFQUAOX-HOTGVXAUSA-N 2 2 355.527 0.421 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cscn3)C2)CC1 ZINC000670831543 493603370 /nfs/dbraw/zinc/60/33/70/493603370.db2.gz AKVUCSZYYJROAT-CYBMUJFWSA-N 2 2 365.503 0.087 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cscn3)C2)CC1 ZINC000670831543 493603372 /nfs/dbraw/zinc/60/33/72/493603372.db2.gz AKVUCSZYYJROAT-CYBMUJFWSA-N 2 2 365.503 0.087 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000663622662 493605584 /nfs/dbraw/zinc/60/55/84/493605584.db2.gz XGKRFLBHCMTJNI-SFHVURJKSA-N 2 2 373.501 0.724 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000663622662 493605586 /nfs/dbraw/zinc/60/55/86/493605586.db2.gz XGKRFLBHCMTJNI-SFHVURJKSA-N 2 2 373.501 0.724 20 0 FCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670890778 493609293 /nfs/dbraw/zinc/60/92/93/493609293.db2.gz ZOUCJNCXKMDURX-QGZVFWFLSA-N 2 2 371.485 0.899 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C[C@@H]1O ZINC000663657101 493610535 /nfs/dbraw/zinc/61/05/35/493610535.db2.gz AZTQYYKVVOWYIV-SQNIBIBYSA-N 2 2 362.474 0.376 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677740728 493614659 /nfs/dbraw/zinc/61/46/59/493614659.db2.gz XFKLNFRIQKHRSI-MRXNPFEDSA-N 2 2 374.551 0.333 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677740728 493614661 /nfs/dbraw/zinc/61/46/61/493614661.db2.gz XFKLNFRIQKHRSI-MRXNPFEDSA-N 2 2 374.551 0.333 20 0 FCADLP C[C@@H]1CN(c2nc(N3CCOCC3)cc[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677884654 493621530 /nfs/dbraw/zinc/62/15/30/493621530.db2.gz NYDSYSRUHRXAOW-SJORKVTESA-N 2 2 360.506 0.775 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677961639 493627146 /nfs/dbraw/zinc/62/71/46/493627146.db2.gz OSYVVUVAQYHTEF-FVQBIDKESA-N 2 2 351.495 0.369 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677961639 493627147 /nfs/dbraw/zinc/62/71/47/493627147.db2.gz OSYVVUVAQYHTEF-FVQBIDKESA-N 2 2 351.495 0.369 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664027282 493630962 /nfs/dbraw/zinc/63/09/62/493630962.db2.gz YPOBYWKFULTHDR-ROUUACIJSA-N 2 2 367.538 0.519 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671101516 493633404 /nfs/dbraw/zinc/63/34/04/493633404.db2.gz WDFFMNMGQLSDKT-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671101516 493633406 /nfs/dbraw/zinc/63/34/06/493633406.db2.gz WDFFMNMGQLSDKT-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000671105673 493635051 /nfs/dbraw/zinc/63/50/51/493635051.db2.gz NSPBQDLABYNVKW-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000671105673 493635053 /nfs/dbraw/zinc/63/50/53/493635053.db2.gz NSPBQDLABYNVKW-IRXDYDNUSA-N 2 2 366.506 0.299 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671122942 493639044 /nfs/dbraw/zinc/63/90/44/493639044.db2.gz RBHNOMJMTQROBW-HNNXBMFYSA-N 2 2 356.470 0.719 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671122942 493639046 /nfs/dbraw/zinc/63/90/46/493639046.db2.gz RBHNOMJMTQROBW-HNNXBMFYSA-N 2 2 356.470 0.719 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000671122653 493639092 /nfs/dbraw/zinc/63/90/92/493639092.db2.gz HAWKAZFREHVCNR-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000671122653 493639094 /nfs/dbraw/zinc/63/90/94/493639094.db2.gz HAWKAZFREHVCNR-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000671122653 493639096 /nfs/dbraw/zinc/63/90/96/493639096.db2.gz HAWKAZFREHVCNR-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000671122653 493639097 /nfs/dbraw/zinc/63/90/97/493639097.db2.gz HAWKAZFREHVCNR-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671126664 493639947 /nfs/dbraw/zinc/63/99/47/493639947.db2.gz ZGDPKHSGBXQAJR-INIZCTEOSA-N 2 2 370.457 0.938 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)C2)CC1 ZINC000678443888 493644338 /nfs/dbraw/zinc/64/43/38/493644338.db2.gz ACNVDWRXNQVNEM-BXWFABGCSA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)C2)CC1 ZINC000678443888 493644340 /nfs/dbraw/zinc/64/43/40/493644340.db2.gz ACNVDWRXNQVNEM-BXWFABGCSA-N 2 2 366.506 0.792 20 0 FCADLP O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000678631213 493653077 /nfs/dbraw/zinc/65/30/77/493653077.db2.gz ZRGUUZPNPHTGKX-QGZVFWFLSA-N 2 2 362.474 0.330 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000671344775 493657848 /nfs/dbraw/zinc/65/78/48/493657848.db2.gz VLGSRGDCRJXKFU-RHSMWYFYSA-N 2 2 371.441 0.324 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000671344775 493657849 /nfs/dbraw/zinc/65/78/49/493657849.db2.gz VLGSRGDCRJXKFU-RHSMWYFYSA-N 2 2 371.441 0.324 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)[nH+]c2c1 ZINC000671358210 493659857 /nfs/dbraw/zinc/65/98/57/493659857.db2.gz FQGFPAWMQOKUTK-ZFWWWQNUSA-N 2 2 359.430 0.094 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)[nH+]c2c1 ZINC000671358210 493659859 /nfs/dbraw/zinc/65/98/59/493659859.db2.gz FQGFPAWMQOKUTK-ZFWWWQNUSA-N 2 2 359.430 0.094 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000671375886 493661819 /nfs/dbraw/zinc/66/18/19/493661819.db2.gz JJYJZWARDZFLHD-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000671376324 493662130 /nfs/dbraw/zinc/66/21/30/493662130.db2.gz HGIRFSMFTMKPLL-INIZCTEOSA-N 2 2 359.474 0.625 20 0 FCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395005 493664644 /nfs/dbraw/zinc/66/46/44/493664644.db2.gz WDLVBYZHVFLTEO-SFHVURJKSA-N 2 2 358.486 0.917 20 0 FCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395005 493664645 /nfs/dbraw/zinc/66/46/45/493664645.db2.gz WDLVBYZHVFLTEO-SFHVURJKSA-N 2 2 358.486 0.917 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC000664537473 493666257 /nfs/dbraw/zinc/66/62/57/493666257.db2.gz MDQULACRTCQCPW-GOEBONIOSA-N 2 2 351.495 0.323 20 0 FCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000679372662 493677098 /nfs/dbraw/zinc/67/70/98/493677098.db2.gz YHJIRTAWWMSEOG-UHFFFAOYSA-N 2 2 368.570 0.291 20 0 FCADLP C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000679377955 493677436 /nfs/dbraw/zinc/67/74/36/493677436.db2.gz JXLFUDBXNWLJPX-UHFFFAOYSA-N 2 2 372.469 0.769 20 0 FCADLP C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000679377955 493677439 /nfs/dbraw/zinc/67/74/39/493677439.db2.gz JXLFUDBXNWLJPX-UHFFFAOYSA-N 2 2 372.469 0.769 20 0 FCADLP O=c1c2ccccc2ncn1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679422253 493679584 /nfs/dbraw/zinc/67/95/84/493679584.db2.gz LSVMFPMQIQWACO-UHFFFAOYSA-N 2 2 372.469 0.556 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000664756992 493681487 /nfs/dbraw/zinc/68/14/87/493681487.db2.gz YSFZTBBJIXUHST-ZACQAIPSSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000664756992 493681488 /nfs/dbraw/zinc/68/14/88/493681488.db2.gz YSFZTBBJIXUHST-ZACQAIPSSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000664756992 493681490 /nfs/dbraw/zinc/68/14/90/493681490.db2.gz YSFZTBBJIXUHST-ZACQAIPSSA-N 2 2 356.511 0.896 20 0 FCADLP CCOC1CC(CNC(=O)NCC[C@H](C)[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000664767754 493682661 /nfs/dbraw/zinc/68/26/61/493682661.db2.gz XUDFAXYWNIEZHK-HJOIGYKYSA-N 2 2 356.511 0.896 20 0 FCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000679504640 493683932 /nfs/dbraw/zinc/68/39/32/493683932.db2.gz QXJQIKCEODQOHS-UHFFFAOYSA-N 2 2 354.414 0.760 20 0 FCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000679506080 493683987 /nfs/dbraw/zinc/68/39/87/493683987.db2.gz PNVGCLMIJWGLGV-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC000679506080 493683989 /nfs/dbraw/zinc/68/39/89/493683989.db2.gz PNVGCLMIJWGLGV-ZDUSSCGKSA-N 2 2 358.402 0.043 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000679509886 493685495 /nfs/dbraw/zinc/68/54/95/493685495.db2.gz CDWDNADTPHBBEO-OCCSQVGLSA-N 2 2 358.402 0.041 20 0 FCADLP C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000679509886 493685498 /nfs/dbraw/zinc/68/54/98/493685498.db2.gz CDWDNADTPHBBEO-OCCSQVGLSA-N 2 2 358.402 0.041 20 0 FCADLP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000680259868 493711763 /nfs/dbraw/zinc/71/17/63/493711763.db2.gz JTVGVUNWRKAXJY-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP COCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671914662 493714203 /nfs/dbraw/zinc/71/42/03/493714203.db2.gz QCFNSOQXPZKBGJ-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP COCCCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671914662 493714205 /nfs/dbraw/zinc/71/42/05/493714205.db2.gz QCFNSOQXPZKBGJ-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000680338949 493714546 /nfs/dbraw/zinc/71/45/46/493714546.db2.gz MANKNQRWOVGLKN-IBGZPJMESA-N 2 2 360.502 0.732 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671963920 493719462 /nfs/dbraw/zinc/71/94/62/493719462.db2.gz PRDUVAZZPWUEAQ-QGZVFWFLSA-N 2 2 373.501 0.633 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671963920 493719463 /nfs/dbraw/zinc/71/94/63/493719463.db2.gz PRDUVAZZPWUEAQ-QGZVFWFLSA-N 2 2 373.501 0.633 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671963616 493719596 /nfs/dbraw/zinc/71/95/96/493719596.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000671963616 493719597 /nfs/dbraw/zinc/71/95/97/493719597.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671963616 493719598 /nfs/dbraw/zinc/71/95/98/493719598.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP CCCC[NH+](C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671963616 493719599 /nfs/dbraw/zinc/71/95/99/493719599.db2.gz ZGRYARCFKCFIFH-INIZCTEOSA-N 3 2 367.538 0.119 20 0 FCADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672010059 493724094 /nfs/dbraw/zinc/72/40/94/493724094.db2.gz TYAQQFNKXOMOQH-GDBMZVCRSA-N 2 2 359.474 0.623 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000672010061 493724128 /nfs/dbraw/zinc/72/41/28/493724128.db2.gz TYAQQFNKXOMOQH-GOEBONIOSA-N 2 2 359.474 0.623 20 0 FCADLP COCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672044072 493726485 /nfs/dbraw/zinc/72/64/85/493726485.db2.gz BMZPEDURODWEHF-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP COCC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672044072 493726486 /nfs/dbraw/zinc/72/64/86/493726486.db2.gz BMZPEDURODWEHF-GOEBONIOSA-N 2 2 354.495 0.155 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000672264148 493747777 /nfs/dbraw/zinc/74/77/77/493747777.db2.gz GYYNDZJESLZALS-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000672264148 493747779 /nfs/dbraw/zinc/74/77/79/493747779.db2.gz GYYNDZJESLZALS-HNNXBMFYSA-N 2 2 366.506 0.204 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217702 493751153 /nfs/dbraw/zinc/75/11/53/493751153.db2.gz PMWMMXOJZIGUDI-ZACQAIPSSA-N 2 2 365.522 0.711 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217702 493751156 /nfs/dbraw/zinc/75/11/56/493751156.db2.gz PMWMMXOJZIGUDI-ZACQAIPSSA-N 2 2 365.522 0.711 20 0 FCADLP COCCOC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217414 493751260 /nfs/dbraw/zinc/75/12/60/493751260.db2.gz FEYPTVFMTNALIH-WBVHZDCISA-N 2 2 356.511 0.848 20 0 FCADLP COCCOC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217414 493751263 /nfs/dbraw/zinc/75/12/63/493751263.db2.gz FEYPTVFMTNALIH-WBVHZDCISA-N 2 2 356.511 0.848 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218316 493752102 /nfs/dbraw/zinc/75/21/02/493752102.db2.gz KTGMBLPJMZIOGU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP CN(C(=O)NCCOC[C@@H]1CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218316 493752103 /nfs/dbraw/zinc/75/21/03/493752103.db2.gz KTGMBLPJMZIOGU-ROUUACIJSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000672320034 493756165 /nfs/dbraw/zinc/75/61/65/493756165.db2.gz FDVDOYIZQYILDX-GVDBMIGSSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000672320099 493756859 /nfs/dbraw/zinc/75/68/59/493756859.db2.gz PRLFWRVZSQQWOP-ARFHVFGLSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000409448741 533741417 /nfs/dbraw/zinc/74/14/17/533741417.db2.gz HJQFJULPCDAUEL-IRXDYDNUSA-N 2 2 360.568 0.758 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410893653 533850494 /nfs/dbraw/zinc/85/04/94/533850494.db2.gz ZIHTXGHMTNMPGT-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000410836724 534277922 /nfs/dbraw/zinc/27/79/22/534277922.db2.gz SQRIBRWJDSWACX-IYBDPMFKSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000410836724 534277924 /nfs/dbraw/zinc/27/79/24/534277924.db2.gz SQRIBRWJDSWACX-IYBDPMFKSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CCCO1 ZINC000413490412 534468063 /nfs/dbraw/zinc/46/80/63/534468063.db2.gz WDLAUXYQCDUFOW-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CCCO1 ZINC000413490412 534468068 /nfs/dbraw/zinc/46/80/68/534468068.db2.gz WDLAUXYQCDUFOW-MRXNPFEDSA-N 2 2 356.511 0.897 20 0 FCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000410714106 527823412 /nfs/dbraw/zinc/82/34/12/527823412.db2.gz LRGVFDXBBSDVFG-QGZVFWFLSA-N 2 2 368.522 0.356 20 0 FCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000410714106 527823416 /nfs/dbraw/zinc/82/34/16/527823416.db2.gz LRGVFDXBBSDVFG-QGZVFWFLSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410704103 527846739 /nfs/dbraw/zinc/84/67/39/527846739.db2.gz YUAZEKGAQGMSDA-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000410704103 527846744 /nfs/dbraw/zinc/84/67/44/527846744.db2.gz YUAZEKGAQGMSDA-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410704103 527846749 /nfs/dbraw/zinc/84/67/49/527846749.db2.gz YUAZEKGAQGMSDA-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000410704103 527846754 /nfs/dbraw/zinc/84/67/54/527846754.db2.gz YUAZEKGAQGMSDA-HZPDHXFCSA-N 2 2 368.522 0.089 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000411019701 527957126 /nfs/dbraw/zinc/95/71/26/527957126.db2.gz FSKLSFLALIVIFR-KRWDZBQOSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000411019701 527957128 /nfs/dbraw/zinc/95/71/28/527957128.db2.gz FSKLSFLALIVIFR-KRWDZBQOSA-N 2 2 368.522 0.497 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000410731718 527957276 /nfs/dbraw/zinc/95/72/76/527957276.db2.gz QEIZBHVOJYPXRN-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000410731718 527957279 /nfs/dbraw/zinc/95/72/79/527957279.db2.gz QEIZBHVOJYPXRN-SJORKVTESA-N 2 2 366.506 0.251 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000410737385 527957303 /nfs/dbraw/zinc/95/73/03/527957303.db2.gz SKUZVVGIYURFEY-IAGOWNOFSA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000410737385 527957307 /nfs/dbraw/zinc/95/73/07/527957307.db2.gz SKUZVVGIYURFEY-IAGOWNOFSA-N 2 2 368.522 0.354 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@@H+]1CCOC ZINC000410469561 528390113 /nfs/dbraw/zinc/39/01/13/528390113.db2.gz DGYVEZJINJKNDC-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)CC[N@H+]1CCOC ZINC000410469561 528390118 /nfs/dbraw/zinc/39/01/18/528390118.db2.gz DGYVEZJINJKNDC-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410469561 528390128 /nfs/dbraw/zinc/39/01/28/528390128.db2.gz DGYVEZJINJKNDC-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCC[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC[NH+]1CCOC ZINC000410469561 528390135 /nfs/dbraw/zinc/39/01/35/528390135.db2.gz DGYVEZJINJKNDC-SJORKVTESA-N 2 2 368.522 0.498 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410811767 528432431 /nfs/dbraw/zinc/43/24/31/528432431.db2.gz SIIIGNMDRCWIJP-IYBDPMFKSA-N 2 2 356.511 0.354 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410811767 528432438 /nfs/dbraw/zinc/43/24/38/528432438.db2.gz SIIIGNMDRCWIJP-IYBDPMFKSA-N 2 2 356.511 0.354 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410955238 529118065 /nfs/dbraw/zinc/11/80/65/529118065.db2.gz PYVIAQIBMUGJCT-HNAYVOBHSA-N 2 2 374.489 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410955238 529118070 /nfs/dbraw/zinc/11/80/70/529118070.db2.gz PYVIAQIBMUGJCT-HNAYVOBHSA-N 2 2 374.489 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410953519 529118097 /nfs/dbraw/zinc/11/80/97/529118097.db2.gz LMCRNALFPMNPQQ-CVEARBPZSA-N 2 2 372.473 0.088 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000410864448 529351127 /nfs/dbraw/zinc/35/11/27/529351127.db2.gz SCSQYKGAOCXYRR-QGZVFWFLSA-N 2 2 373.501 0.981 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+]1CCOCC1 ZINC000424125545 535015413 /nfs/dbraw/zinc/01/54/13/535015413.db2.gz AFKZLTVMAGSLMA-HOCLYGCPSA-N 2 2 350.467 0.289 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419125806 535068998 /nfs/dbraw/zinc/06/89/98/535068998.db2.gz KVNJMDCZSLGWNA-MRXNPFEDSA-N 2 2 357.458 0.690 20 0 FCADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424487310 535070837 /nfs/dbraw/zinc/07/08/37/535070837.db2.gz ASRKKXPVILIBCY-HUUCEWRRSA-N 2 2 374.476 0.974 20 0 FCADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424487310 535070839 /nfs/dbraw/zinc/07/08/39/535070839.db2.gz ASRKKXPVILIBCY-HUUCEWRRSA-N 2 2 374.476 0.974 20 0 FCADLP CCN1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000423558857 535602774 /nfs/dbraw/zinc/60/27/74/535602774.db2.gz LMURRUKZNLEGQF-GJZGRUSLSA-N 2 2 364.494 0.447 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000423701493 535603183 /nfs/dbraw/zinc/60/31/83/535603183.db2.gz WQWVQOKYTBSIJN-ZNMIVQPWSA-N 2 2 362.478 0.343 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)c1coc(C[NH3+])c1)C(=O)NCC[NH+]1CCOCC1 ZINC000444166129 535707391 /nfs/dbraw/zinc/70/73/91/535707391.db2.gz JPYMAHHVGJREIL-CJNGLKHVSA-N 2 2 366.462 0.331 20 0 FCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000423475487 536416593 /nfs/dbraw/zinc/41/65/93/536416593.db2.gz KMFJMDNUAXLEHI-HIFRSBDPSA-N 2 2 350.488 0.774 20 0 FCADLP C[C@@H](NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000570320951 546574043 /nfs/dbraw/zinc/57/40/43/546574043.db2.gz QIQZZNNKYYVIEN-WBVHZDCISA-N 2 2 366.531 0.853 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C ZINC000083738213 546576789 /nfs/dbraw/zinc/57/67/89/546576789.db2.gz FXJMAXXAKNFDRG-HNNXBMFYSA-N 2 2 350.467 0.492 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000594305999 546780386 /nfs/dbraw/zinc/78/03/86/546780386.db2.gz LMXCPDIJQHXKRW-OAHLLOKOSA-N 2 2 356.511 0.896 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000594305999 546780389 /nfs/dbraw/zinc/78/03/89/546780389.db2.gz LMXCPDIJQHXKRW-OAHLLOKOSA-N 2 2 356.511 0.896 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000448261848 546852980 /nfs/dbraw/zinc/85/29/80/546852980.db2.gz RUDOTGKYTVGGIH-MRXNPFEDSA-N 2 2 356.511 0.443 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000448261848 546852984 /nfs/dbraw/zinc/85/29/84/546852984.db2.gz RUDOTGKYTVGGIH-MRXNPFEDSA-N 2 2 356.511 0.443 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000152572948 546919987 /nfs/dbraw/zinc/91/99/87/546919987.db2.gz CZNWBSBOSMFXQQ-WBVHZDCISA-N 3 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000152572948 546919993 /nfs/dbraw/zinc/91/99/93/546919993.db2.gz CZNWBSBOSMFXQQ-WBVHZDCISA-N 3 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152572948 546919996 /nfs/dbraw/zinc/91/99/96/546919996.db2.gz CZNWBSBOSMFXQQ-WBVHZDCISA-N 3 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152572948 546920001 /nfs/dbraw/zinc/92/00/01/546920001.db2.gz CZNWBSBOSMFXQQ-WBVHZDCISA-N 3 2 355.527 0.373 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000459989254 546930590 /nfs/dbraw/zinc/93/05/90/546930590.db2.gz KDCRIOIYWVHIGB-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCS1 ZINC000459989254 546930593 /nfs/dbraw/zinc/93/05/93/546930593.db2.gz KDCRIOIYWVHIGB-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548015827 547057845 /nfs/dbraw/zinc/05/78/45/547057845.db2.gz QADPLRLVGODAPQ-OAHLLOKOSA-N 2 2 350.467 0.520 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000550493167 547088286 /nfs/dbraw/zinc/08/82/86/547088286.db2.gz RMNRZVWOWOVSJA-UHFFFAOYSA-N 2 2 354.495 0.159 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663635 547096102 /nfs/dbraw/zinc/09/61/02/547096102.db2.gz MUPQJHWNPYNGPU-ZBFHGGJFSA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550663635 547096109 /nfs/dbraw/zinc/09/61/09/547096109.db2.gz MUPQJHWNPYNGPU-ZBFHGGJFSA-N 2 2 354.495 0.058 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000551210588 547134547 /nfs/dbraw/zinc/13/45/47/547134547.db2.gz GUNVBBBUYBQAEO-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000551210588 547134556 /nfs/dbraw/zinc/13/45/56/547134556.db2.gz GUNVBBBUYBQAEO-UHFFFAOYSA-N 2 2 351.451 0.084 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000552709969 547227453 /nfs/dbraw/zinc/22/74/53/547227453.db2.gz RIWLTTXRIMTNTM-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000552709969 547227455 /nfs/dbraw/zinc/22/74/55/547227455.db2.gz RIWLTTXRIMTNTM-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553024997 547247569 /nfs/dbraw/zinc/24/75/69/547247569.db2.gz PHUZAPPHMDRBMY-HRCADAONSA-N 2 2 354.495 0.202 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553024997 547247573 /nfs/dbraw/zinc/24/75/73/547247573.db2.gz PHUZAPPHMDRBMY-HRCADAONSA-N 2 2 354.495 0.202 20 0 FCADLP CCNc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553052292 547248416 /nfs/dbraw/zinc/24/84/16/547248416.db2.gz MXMGEBOYVLPABH-CYBMUJFWSA-N 2 2 350.515 0.405 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000553092446 547253264 /nfs/dbraw/zinc/25/32/64/547253264.db2.gz FZXBSMJQXXBZDB-RDJZCZTQSA-N 2 2 354.564 0.956 20 0 FCADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000431934011 568397952 /nfs/dbraw/zinc/39/79/52/568397952.db2.gz CRCXSHOEFWMXKK-ZJMOCIGLSA-N 2 2 366.506 0.927 20 0 FCADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000431934011 568397953 /nfs/dbraw/zinc/39/79/53/568397953.db2.gz CRCXSHOEFWMXKK-ZJMOCIGLSA-N 2 2 366.506 0.927 20 0 FCADLP C[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)[NH+]1CCC(C)CC1 ZINC000736275328 598527540 /nfs/dbraw/zinc/52/75/40/598527540.db2.gz BVMXHQNTFDRKFG-KGLIPLIRSA-N 2 2 359.482 0.815 20 0 FCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826034678 607498605 /nfs/dbraw/zinc/49/86/05/607498605.db2.gz VSGMWPZYZHZVTN-INIZCTEOSA-N 2 2 356.478 0.864 20 0 FCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826034678 607498607 /nfs/dbraw/zinc/49/86/07/607498607.db2.gz VSGMWPZYZHZVTN-INIZCTEOSA-N 2 2 356.478 0.864 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821601412 607236651 /nfs/dbraw/zinc/23/66/51/607236651.db2.gz FXTXUPGVCSKCFT-HNNXBMFYSA-N 2 2 357.418 0.825 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821601412 607236652 /nfs/dbraw/zinc/23/66/52/607236652.db2.gz FXTXUPGVCSKCFT-HNNXBMFYSA-N 2 2 357.418 0.825 20 0 FCADLP C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1C[NH+](CCCF)C1 ZINC000970198503 663247566 /nfs/dbraw/zinc/24/75/66/663247566.db2.gz LPJDIXMWZLNIGD-UAGQMJEPSA-N 2 2 357.470 0.662 20 0 FCADLP C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099756 663310710 /nfs/dbraw/zinc/31/07/10/663310710.db2.gz VPHBDCBIUFFEKD-SOLBZPMBSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)O2)CO1 ZINC000891099756 663310711 /nfs/dbraw/zinc/31/07/11/663310711.db2.gz VPHBDCBIUFFEKD-SOLBZPMBSA-N 2 2 356.511 0.896 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891505909 663410443 /nfs/dbraw/zinc/41/04/43/663410443.db2.gz BLEJCVIXSLAPKT-NEPJUHHUSA-N 2 2 352.401 0.876 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891505909 663410446 /nfs/dbraw/zinc/41/04/46/663410446.db2.gz BLEJCVIXSLAPKT-NEPJUHHUSA-N 2 2 352.401 0.876 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891536108 663412578 /nfs/dbraw/zinc/41/25/78/663412578.db2.gz CYBFKKUIGPUKBC-GOEBONIOSA-N 2 2 358.508 0.079 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891537916 663412755 /nfs/dbraw/zinc/41/27/55/663412755.db2.gz NPBDDSPFFMWZAP-LSDHHAIUSA-N 2 2 358.508 0.031 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000892168879 663484700 /nfs/dbraw/zinc/48/47/00/663484700.db2.gz KMXOVEWIFAEYJN-HNNXBMFYSA-N 2 2 365.503 0.813 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892484345 663963143 /nfs/dbraw/zinc/96/31/43/663963143.db2.gz CAPIUWXDTGNPKD-INIZCTEOSA-N 2 2 356.511 0.755 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892610647 664048893 /nfs/dbraw/zinc/04/88/93/664048893.db2.gz FGIKMTWCHVFZGQ-KRWDZBQOSA-N 2 2 350.463 0.158 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892610647 664048897 /nfs/dbraw/zinc/04/88/97/664048897.db2.gz FGIKMTWCHVFZGQ-KRWDZBQOSA-N 2 2 350.463 0.158 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(=O)O1 ZINC000893267998 664224985 /nfs/dbraw/zinc/22/49/85/664224985.db2.gz QGDCGKCEUMVYLA-HUUCEWRRSA-N 2 2 352.479 0.940 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)cs1 ZINC000978344000 664435571 /nfs/dbraw/zinc/43/55/71/664435571.db2.gz YKOCZOGJYCJVEG-OFGYBXGMSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)cs1 ZINC000978344000 664435573 /nfs/dbraw/zinc/43/55/73/664435573.db2.gz YKOCZOGJYCJVEG-OFGYBXGMSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cs1 ZINC000978344000 664435577 /nfs/dbraw/zinc/43/55/77/664435577.db2.gz YKOCZOGJYCJVEG-OFGYBXGMSA-N 2 2 364.515 0.965 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cs1 ZINC000978344000 664435581 /nfs/dbraw/zinc/43/55/81/664435581.db2.gz YKOCZOGJYCJVEG-OFGYBXGMSA-N 2 2 364.515 0.965 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000893742632 664873289 /nfs/dbraw/zinc/87/32/89/664873289.db2.gz KYEYNBHXFRNVDO-PVAVHDDUSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000893742632 664873291 /nfs/dbraw/zinc/87/32/91/664873291.db2.gz KYEYNBHXFRNVDO-PVAVHDDUSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)Nc3nccs3)C2)CC[N@@H+]1C ZINC001028549513 664901489 /nfs/dbraw/zinc/90/14/89/664901489.db2.gz ABLDOYGTEJBKPA-HZSPNIEDSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)Nc3nccs3)C2)CC[N@H+]1C ZINC001028549513 664901491 /nfs/dbraw/zinc/90/14/91/664901491.db2.gz ABLDOYGTEJBKPA-HZSPNIEDSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001028549513 664901492 /nfs/dbraw/zinc/90/14/92/664901492.db2.gz ABLDOYGTEJBKPA-HZSPNIEDSA-N 2 2 365.503 0.860 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)CC[NH+]1C ZINC001028549513 664901494 /nfs/dbraw/zinc/90/14/94/664901494.db2.gz ABLDOYGTEJBKPA-HZSPNIEDSA-N 2 2 365.503 0.860 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000896569004 665094291 /nfs/dbraw/zinc/09/42/91/665094291.db2.gz RBNYEWYEUSQIIM-ZKXLYKBJSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000896569004 665094293 /nfs/dbraw/zinc/09/42/93/665094293.db2.gz RBNYEWYEUSQIIM-ZKXLYKBJSA-N 2 2 354.539 0.871 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000897359054 665194512 /nfs/dbraw/zinc/19/45/12/665194512.db2.gz KMZSZXSMASZYAF-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000897359054 665194513 /nfs/dbraw/zinc/19/45/13/665194513.db2.gz KMZSZXSMASZYAF-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000897359054 665194514 /nfs/dbraw/zinc/19/45/14/665194514.db2.gz KMZSZXSMASZYAF-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000897359054 665194515 /nfs/dbraw/zinc/19/45/15/665194515.db2.gz KMZSZXSMASZYAF-OAHLLOKOSA-N 2 2 354.495 0.012 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnns3)CC2)O1 ZINC001029974045 665222150 /nfs/dbraw/zinc/22/21/50/665222150.db2.gz WLIWHJWBTYKHHP-CZUORRHYSA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3cnns3)CC2)O1 ZINC001029974045 665222152 /nfs/dbraw/zinc/22/21/52/665222152.db2.gz WLIWHJWBTYKHHP-CZUORRHYSA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3cnns3)CC2)O1 ZINC001029974045 665222154 /nfs/dbraw/zinc/22/21/54/665222154.db2.gz WLIWHJWBTYKHHP-CZUORRHYSA-N 2 2 367.519 0.928 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3cnns3)CC2)O1 ZINC001029974045 665222156 /nfs/dbraw/zinc/22/21/56/665222156.db2.gz WLIWHJWBTYKHHP-CZUORRHYSA-N 2 2 367.519 0.928 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000907515698 666140685 /nfs/dbraw/zinc/14/06/85/666140685.db2.gz CLYOGPYLQXLHAR-ROUUACIJSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000907515698 666140686 /nfs/dbraw/zinc/14/06/86/666140686.db2.gz CLYOGPYLQXLHAR-ROUUACIJSA-N 2 2 354.539 0.706 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000907595146 666145993 /nfs/dbraw/zinc/14/59/93/666145993.db2.gz UVDQEIZKPDERSF-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000907595146 666145996 /nfs/dbraw/zinc/14/59/96/666145996.db2.gz UVDQEIZKPDERSF-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000907595146 666145997 /nfs/dbraw/zinc/14/59/97/666145997.db2.gz UVDQEIZKPDERSF-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000907595146 666146000 /nfs/dbraw/zinc/14/60/00/666146000.db2.gz UVDQEIZKPDERSF-OAHLLOKOSA-N 2 2 355.479 0.177 20 0 FCADLP C[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000909031783 666223954 /nfs/dbraw/zinc/22/39/54/666223954.db2.gz MROJRILECSZRRG-OQSMONGASA-N 2 2 353.507 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000909031783 666223956 /nfs/dbraw/zinc/22/39/56/666223956.db2.gz MROJRILECSZRRG-OQSMONGASA-N 2 2 353.507 0.791 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069295775 666503010 /nfs/dbraw/zinc/50/30/10/666503010.db2.gz WPRSYCHAYGCLDR-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000069295775 666503011 /nfs/dbraw/zinc/50/30/11/666503011.db2.gz WPRSYCHAYGCLDR-OAHLLOKOSA-N 2 2 374.551 0.527 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000913920016 666668067 /nfs/dbraw/zinc/66/80/67/666668067.db2.gz FMRGRPUIHKFSSL-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000913920016 666668071 /nfs/dbraw/zinc/66/80/71/666668071.db2.gz FMRGRPUIHKFSSL-DLBZAZTESA-N 2 2 356.511 0.753 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000914115947 666698978 /nfs/dbraw/zinc/69/89/78/666698978.db2.gz JAOGBPBPRQHZCZ-INIZCTEOSA-N 2 2 353.511 0.569 20 0 FCADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000914115947 666698980 /nfs/dbraw/zinc/69/89/80/666698980.db2.gz JAOGBPBPRQHZCZ-INIZCTEOSA-N 2 2 353.511 0.569 20 0 FCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418016 666795563 /nfs/dbraw/zinc/79/55/63/666795563.db2.gz HOZKTRVSVWPAIC-ZIAGYGMSSA-N 2 2 355.483 0.541 20 0 FCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418016 666795565 /nfs/dbraw/zinc/79/55/65/666795565.db2.gz HOZKTRVSVWPAIC-ZIAGYGMSSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418016 666795566 /nfs/dbraw/zinc/79/55/66/666795566.db2.gz HOZKTRVSVWPAIC-ZIAGYGMSSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000925418016 666795567 /nfs/dbraw/zinc/79/55/67/666795567.db2.gz HOZKTRVSVWPAIC-ZIAGYGMSSA-N 2 2 355.483 0.541 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000993579569 666917860 /nfs/dbraw/zinc/91/78/60/666917860.db2.gz RTTYFPIWSDAMTN-IJLUTSLNSA-N 2 2 355.389 0.048 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000993579569 666917862 /nfs/dbraw/zinc/91/78/62/666917862.db2.gz RTTYFPIWSDAMTN-IJLUTSLNSA-N 2 2 355.389 0.048 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1)[NH+](C)C ZINC000993615351 666921587 /nfs/dbraw/zinc/92/15/87/666921587.db2.gz NFILZMSOQXKRNC-UTUOFQBUSA-N 2 2 357.405 0.436 20 0 FCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000734309752 666960907 /nfs/dbraw/zinc/96/09/07/666960907.db2.gz QSMVSRFTAORKCG-KRWDZBQOSA-N 2 2 369.579 0.295 20 0 FCADLP C[N@H+]1CCC[C@H](N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000734309752 666960909 /nfs/dbraw/zinc/96/09/09/666960909.db2.gz QSMVSRFTAORKCG-KRWDZBQOSA-N 2 2 369.579 0.295 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665692 666977769 /nfs/dbraw/zinc/97/77/69/666977769.db2.gz PSRLXBLJOYRPMG-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665692 666977770 /nfs/dbraw/zinc/97/77/70/666977770.db2.gz PSRLXBLJOYRPMG-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000734665692 666977775 /nfs/dbraw/zinc/97/77/75/666977775.db2.gz PSRLXBLJOYRPMG-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@H]1C[NH+](CCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCO1 ZINC000734665692 666977776 /nfs/dbraw/zinc/97/77/76/666977776.db2.gz PSRLXBLJOYRPMG-IRXDYDNUSA-N 2 2 353.511 0.129 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918914108 667141006 /nfs/dbraw/zinc/14/10/06/667141006.db2.gz QUAFEOUPWHPROY-QLFBSQMISA-N 2 2 352.479 0.796 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918914108 667141008 /nfs/dbraw/zinc/14/10/08/667141008.db2.gz QUAFEOUPWHPROY-QLFBSQMISA-N 2 2 352.479 0.796 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999496725 667241036 /nfs/dbraw/zinc/24/10/36/667241036.db2.gz OMHIRTVZRUEFGO-MGPQQGTHSA-N 2 2 351.451 0.432 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000999496725 667241040 /nfs/dbraw/zinc/24/10/40/667241040.db2.gz OMHIRTVZRUEFGO-MGPQQGTHSA-N 2 2 351.451 0.432 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499062 667241061 /nfs/dbraw/zinc/24/10/61/667241061.db2.gz YYCBBBAHKOOFSX-QLFBSQMISA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499062 667241064 /nfs/dbraw/zinc/24/10/64/667241064.db2.gz YYCBBBAHKOOFSX-QLFBSQMISA-N 2 2 350.467 0.098 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001031683833 667268271 /nfs/dbraw/zinc/26/82/71/667268271.db2.gz AGALRHKWXMVHAX-VNQPRFMTSA-N 2 2 357.520 0.199 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCS(=O)(=O)C3)C2)CC[N@H+]1C ZINC001031683833 667268273 /nfs/dbraw/zinc/26/82/73/667268273.db2.gz AGALRHKWXMVHAX-VNQPRFMTSA-N 2 2 357.520 0.199 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001033186701 667713531 /nfs/dbraw/zinc/71/35/31/667713531.db2.gz YKUFHIPEWOBNTM-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)O1 ZINC001033186701 667713534 /nfs/dbraw/zinc/71/35/34/667713534.db2.gz YKUFHIPEWOBNTM-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)O1 ZINC001033186701 667713536 /nfs/dbraw/zinc/71/35/36/667713536.db2.gz YKUFHIPEWOBNTM-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)O1 ZINC001033186701 667713541 /nfs/dbraw/zinc/71/35/41/667713541.db2.gz YKUFHIPEWOBNTM-KBRIMQKVSA-N 2 2 350.438 0.973 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000923334722 667826144 /nfs/dbraw/zinc/82/61/44/667826144.db2.gz XOVUOXYUCGCAPZ-GJZGRUSLSA-N 2 2 351.422 0.462 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000923334722 667826149 /nfs/dbraw/zinc/82/61/49/667826149.db2.gz XOVUOXYUCGCAPZ-GJZGRUSLSA-N 2 2 351.422 0.462 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000838414400 667934253 /nfs/dbraw/zinc/93/42/53/667934253.db2.gz HLYHHUPMMZYOBD-OAHLLOKOSA-N 2 2 374.551 0.621 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000780208294 668463656 /nfs/dbraw/zinc/46/36/56/668463656.db2.gz NAQWQYPZALGCBX-OAHLLOKOSA-N 2 2 358.552 0.360 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000780208294 668463664 /nfs/dbraw/zinc/46/36/64/668463664.db2.gz NAQWQYPZALGCBX-OAHLLOKOSA-N 2 2 358.552 0.360 20 0 FCADLP C[NH+]1CCC(C)(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000780830717 668489198 /nfs/dbraw/zinc/48/91/98/668489198.db2.gz YGWAPJBDNQKCOP-UHFFFAOYSA-N 2 2 374.551 0.527 20 0 FCADLP CC(C)OC[C@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771715 668995473 /nfs/dbraw/zinc/99/54/73/668995473.db2.gz BGMFYRAVSFCDNT-HOTGVXAUSA-N 2 2 352.479 0.843 20 0 FCADLP CC(C)OC[C@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000794771715 668995474 /nfs/dbraw/zinc/99/54/74/668995474.db2.gz BGMFYRAVSFCDNT-HOTGVXAUSA-N 2 2 352.479 0.843 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000807055871 669464686 /nfs/dbraw/zinc/46/46/86/669464686.db2.gz SUIBBMBCWRKWOP-AWEZNQCLSA-N 2 2 358.552 0.729 20 0 FCADLP CSCC[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000807055871 669464689 /nfs/dbraw/zinc/46/46/89/669464689.db2.gz SUIBBMBCWRKWOP-AWEZNQCLSA-N 2 2 358.552 0.729 20 0 FCADLP C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000829116528 669684449 /nfs/dbraw/zinc/68/44/49/669684449.db2.gz RXTXQJHMGZLJJM-WMLDXEAASA-N 2 2 367.515 0.948 20 0 FCADLP Cc1nnc(CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000811881834 669777778 /nfs/dbraw/zinc/77/77/78/669777778.db2.gz BGKSWBSRFCGOQW-ZDUSSCGKSA-N 2 2 352.508 0.857 20 0 FCADLP Cc1nnc(CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000811881834 669777783 /nfs/dbraw/zinc/77/77/83/669777783.db2.gz BGKSWBSRFCGOQW-ZDUSSCGKSA-N 2 2 352.508 0.857 20 0 FCADLP CN(C)C(=O)O[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830510401 669788851 /nfs/dbraw/zinc/78/88/51/669788851.db2.gz XYMGNVNYIIZTCK-GJZGRUSLSA-N 2 2 356.467 0.922 20 0 FCADLP CN(C)C(=O)O[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)C1 ZINC000830510401 669788855 /nfs/dbraw/zinc/78/88/55/669788855.db2.gz XYMGNVNYIIZTCK-GJZGRUSLSA-N 2 2 356.467 0.922 20 0 FCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)C1 ZINC000813635407 669845952 /nfs/dbraw/zinc/84/59/52/669845952.db2.gz SBXZQUGJJBCYAD-QGZVFWFLSA-N 2 2 372.535 0.233 20 0 FCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)C1 ZINC000813635407 669845956 /nfs/dbraw/zinc/84/59/56/669845956.db2.gz SBXZQUGJJBCYAD-QGZVFWFLSA-N 2 2 372.535 0.233 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888463 670046618 /nfs/dbraw/zinc/04/66/18/670046618.db2.gz GFQRFPROHSWDKW-DGCLKSJQSA-N 2 2 373.441 0.905 20 0 FCADLP CC(C)(C)OC(=O)NCC1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000842169523 670643773 /nfs/dbraw/zinc/64/37/73/670643773.db2.gz KNLYSNUQBIAXQU-OAHLLOKOSA-N 2 2 357.495 0.795 20 0 FCADLP [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000843261594 670790050 /nfs/dbraw/zinc/79/00/50/670790050.db2.gz LELCDDPQMHVVDB-HZPDHXFCSA-N 2 2 354.495 0.381 20 0 FCADLP C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346911 670802343 /nfs/dbraw/zinc/80/23/43/670802343.db2.gz KYMVXIUUAKAYDM-NWDGAFQWSA-N 2 2 353.854 0.849 20 0 FCADLP C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346911 670802353 /nfs/dbraw/zinc/80/23/53/670802353.db2.gz KYMVXIUUAKAYDM-NWDGAFQWSA-N 2 2 353.854 0.849 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000844184160 670906642 /nfs/dbraw/zinc/90/66/42/670906642.db2.gz AXTPMRIUPONGIB-INIZCTEOSA-N 2 2 353.488 0.620 20 0 FCADLP CN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000844969841 670957731 /nfs/dbraw/zinc/95/77/31/670957731.db2.gz HXPKDYWRFPJKAL-UHFFFAOYSA-N 2 2 374.551 0.623 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000845047597 670960966 /nfs/dbraw/zinc/96/09/66/670960966.db2.gz OCSAXUXWPUKKSB-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000845047597 670960968 /nfs/dbraw/zinc/96/09/68/670960968.db2.gz OCSAXUXWPUKKSB-NVXWUHKLSA-N 2 2 354.495 0.459 20 0 FCADLP CO[C@H](C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041245 671041928 /nfs/dbraw/zinc/04/19/28/671041928.db2.gz LYGTUDREPAFRBY-OAHLLOKOSA-N 2 2 354.495 0.108 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000846861725 671154711 /nfs/dbraw/zinc/15/47/11/671154711.db2.gz MGWUDFBOWQXWRJ-CYBMUJFWSA-N 2 2 358.870 0.912 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000846861725 671154713 /nfs/dbraw/zinc/15/47/13/671154713.db2.gz MGWUDFBOWQXWRJ-CYBMUJFWSA-N 2 2 358.870 0.912 20 0 FCADLP C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000109700602 671423579 /nfs/dbraw/zinc/42/35/79/671423579.db2.gz LJIRCMWEMCADNC-KFWWJZLASA-N 2 2 359.536 0.873 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000875306144 672865082 /nfs/dbraw/zinc/86/50/82/672865082.db2.gz JJLQCPRKFOWFTA-KRWDZBQOSA-N 2 2 355.527 0.424 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000875306144 672865089 /nfs/dbraw/zinc/86/50/89/672865089.db2.gz JJLQCPRKFOWFTA-KRWDZBQOSA-N 2 2 355.527 0.424 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](Cc3cnns3)CC2)O1 ZINC001001531079 676075424 /nfs/dbraw/zinc/07/54/24/676075424.db2.gz AQFYBRZVLNPSHM-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](Cc3cnns3)CC2)O1 ZINC001001531079 676075428 /nfs/dbraw/zinc/07/54/28/676075428.db2.gz AQFYBRZVLNPSHM-IUODEOHRSA-N 2 2 353.492 0.585 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000877329423 673008410 /nfs/dbraw/zinc/00/84/10/673008410.db2.gz RECULKMQKNPTJB-DLBZAZTESA-N 2 2 351.491 0.905 20 0 FCADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000877329423 673008414 /nfs/dbraw/zinc/00/84/14/673008414.db2.gz RECULKMQKNPTJB-DLBZAZTESA-N 2 2 351.491 0.905 20 0 FCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878050620 673038276 /nfs/dbraw/zinc/03/82/76/673038276.db2.gz ZDEIEYFRSCSGNI-QGZVFWFLSA-N 2 2 353.507 0.673 20 0 FCADLP C[S@](=O)CC[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878255489 673050991 /nfs/dbraw/zinc/05/09/91/673050991.db2.gz QDLQDJIEZXMKMG-CLOONOSVSA-N 2 2 365.543 0.620 20 0 FCADLP C[S@](=O)CC[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878255489 673050994 /nfs/dbraw/zinc/05/09/94/673050994.db2.gz QDLQDJIEZXMKMG-CLOONOSVSA-N 2 2 365.543 0.620 20 0 FCADLP C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879246684 673106754 /nfs/dbraw/zinc/10/67/54/673106754.db2.gz GWFIAXIBBCLBJP-HZPDHXFCSA-N 2 2 371.547 0.828 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC001051623623 676106874 /nfs/dbraw/zinc/10/68/74/676106874.db2.gz HULVRMZGBDWRBR-QLFBSQMISA-N 2 2 353.492 0.585 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC001051623623 676106875 /nfs/dbraw/zinc/10/68/75/676106875.db2.gz HULVRMZGBDWRBR-QLFBSQMISA-N 2 2 353.492 0.585 20 0 FCADLP Cc1csc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCO2)n1 ZINC001051678845 676108514 /nfs/dbraw/zinc/10/85/14/676108514.db2.gz FDWXFRNAZAGPJC-QLFBSQMISA-N 2 2 368.503 0.488 20 0 FCADLP Cc1csc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCO2)n1 ZINC001051678845 676108516 /nfs/dbraw/zinc/10/85/16/676108516.db2.gz FDWXFRNAZAGPJC-QLFBSQMISA-N 2 2 368.503 0.488 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052584460 676125425 /nfs/dbraw/zinc/12/54/25/676125425.db2.gz RZCFCQNHMPOSPR-BBWFWOEESA-N 2 2 357.470 0.806 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCF)CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001052584460 676125429 /nfs/dbraw/zinc/12/54/29/676125429.db2.gz RZCFCQNHMPOSPR-BBWFWOEESA-N 2 2 357.470 0.806 20 0 FCADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1(C)C ZINC000883373025 673372377 /nfs/dbraw/zinc/37/23/77/673372377.db2.gz XQIQLTQEWBFWLI-UHFFFAOYSA-N 2 2 360.524 0.231 20 0 FCADLP C[N@H+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1(C)C ZINC000883373025 673372380 /nfs/dbraw/zinc/37/23/80/673372380.db2.gz XQIQLTQEWBFWLI-UHFFFAOYSA-N 2 2 360.524 0.231 20 0 FCADLP O=C(NCC[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1)c1ccccc1F ZINC000883423074 673374834 /nfs/dbraw/zinc/37/48/34/673374834.db2.gz BODUXRKTYSEBTQ-GJZGRUSLSA-N 2 2 352.429 0.873 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+]2CC)CC1 ZINC000883895602 673401770 /nfs/dbraw/zinc/40/17/70/673401770.db2.gz ZSINXWFELNDPIK-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+]2CC)CC1 ZINC000883895602 673401773 /nfs/dbraw/zinc/40/17/73/673401773.db2.gz ZSINXWFELNDPIK-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2CC)CC1 ZINC000883895602 673401775 /nfs/dbraw/zinc/40/17/75/673401775.db2.gz ZSINXWFELNDPIK-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+]2CC)CC1 ZINC000883895602 673401777 /nfs/dbraw/zinc/40/17/77/673401777.db2.gz ZSINXWFELNDPIK-MRXNPFEDSA-N 2 2 353.511 0.666 20 0 FCADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000884279574 673443165 /nfs/dbraw/zinc/44/31/65/673443165.db2.gz OLXVOTSBBMDQNB-KBPBESRZSA-N 2 2 359.879 0.575 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884314344 673446289 /nfs/dbraw/zinc/44/62/89/673446289.db2.gz HCYUDVHIRJREAF-BPUTZDHNSA-N 2 2 353.488 0.385 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884314344 673446291 /nfs/dbraw/zinc/44/62/91/673446291.db2.gz HCYUDVHIRJREAF-BPUTZDHNSA-N 2 2 353.488 0.385 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000884727416 673478238 /nfs/dbraw/zinc/47/82/38/673478238.db2.gz SKDYECUHFDUSFC-STQMWFEESA-N 2 2 358.364 0.910 20 0 FCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884977504 673495579 /nfs/dbraw/zinc/49/55/79/673495579.db2.gz VERZOFKROWBPCA-CQSZACIVSA-N 2 2 363.487 0.201 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132786 673622569 /nfs/dbraw/zinc/62/25/69/673622569.db2.gz MXEHKTJMVAINPN-HNNXBMFYSA-N 2 2 356.492 0.548 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132786 673622575 /nfs/dbraw/zinc/62/25/75/673622575.db2.gz MXEHKTJMVAINPN-HNNXBMFYSA-N 2 2 356.492 0.548 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000889749502 673684891 /nfs/dbraw/zinc/68/48/91/673684891.db2.gz IGPXJNRRCNHWLW-QZTJIDSGSA-N 2 2 352.523 0.460 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889749502 673684894 /nfs/dbraw/zinc/68/48/94/673684894.db2.gz IGPXJNRRCNHWLW-QZTJIDSGSA-N 2 2 352.523 0.460 20 0 FCADLP C[C@H]1COC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000924723013 673761670 /nfs/dbraw/zinc/76/16/70/673761670.db2.gz JHXLRCYQPNKVES-LSDHHAIUSA-N 2 2 354.476 0.158 20 0 FCADLP O=S(=O)(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(F)cc1F ZINC000925662931 673798621 /nfs/dbraw/zinc/79/86/21/673798621.db2.gz PFVJDCXMGBJDCP-JXNBKPOHSA-N 2 2 357.426 0.829 20 0 FCADLP O=S(=O)(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(F)cc1F ZINC000925662924 673798690 /nfs/dbraw/zinc/79/86/90/673798690.db2.gz PFVJDCXMGBJDCP-DYZFCQSDSA-N 2 2 357.426 0.829 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CC2(C1)OCCO2 ZINC000927079989 673850625 /nfs/dbraw/zinc/85/06/25/673850625.db2.gz WFPKULUKFWWOIL-UHFFFAOYSA-N 2 2 354.495 0.807 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CC2(C1)OCCO2 ZINC000927079989 673850626 /nfs/dbraw/zinc/85/06/26/673850626.db2.gz WFPKULUKFWWOIL-UHFFFAOYSA-N 2 2 354.495 0.807 20 0 FCADLP Cc1cccc(NCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000927480847 673863987 /nfs/dbraw/zinc/86/39/87/673863987.db2.gz PGVISNBHCXXKGS-OAHLLOKOSA-N 2 2 351.451 0.136 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@@H+]1C ZINC001020171282 675436098 /nfs/dbraw/zinc/43/60/98/675436098.db2.gz VJFPVNNAKOSTJU-FDYHWXHSSA-N 2 2 352.508 0.681 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC[N@H+]1C ZINC001020171282 675436101 /nfs/dbraw/zinc/43/61/01/675436101.db2.gz VJFPVNNAKOSTJU-FDYHWXHSSA-N 2 2 352.508 0.681 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001045091298 675650558 /nfs/dbraw/zinc/65/05/58/675650558.db2.gz TYLBPNYIAFNPCM-QLFBSQMISA-N 2 2 350.467 0.098 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001045091298 675650561 /nfs/dbraw/zinc/65/05/61/675650561.db2.gz TYLBPNYIAFNPCM-QLFBSQMISA-N 2 2 350.467 0.098 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900646670 675703367 /nfs/dbraw/zinc/70/33/67/675703367.db2.gz NXMJOERAKIMVPN-CVEARBPZSA-N 2 2 357.520 0.629 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900646670 675703371 /nfs/dbraw/zinc/70/33/71/675703371.db2.gz NXMJOERAKIMVPN-CVEARBPZSA-N 2 2 357.520 0.629 20 0 FCADLP C[C@@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000900783218 675716013 /nfs/dbraw/zinc/71/60/13/675716013.db2.gz MTKOIYOMLYHLBF-AOCRQIFASA-N 2 2 353.507 0.962 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901200752 675769432 /nfs/dbraw/zinc/76/94/32/675769432.db2.gz JCMXWTRILOUGDR-VVLHAWIVSA-N 2 2 350.507 0.903 20 0 FCADLP CN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901200752 675769433 /nfs/dbraw/zinc/76/94/33/675769433.db2.gz JCMXWTRILOUGDR-VVLHAWIVSA-N 2 2 350.507 0.903 20 0 FCADLP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047384274 675795431 /nfs/dbraw/zinc/79/54/31/675795431.db2.gz QOGZWZPHIURDBJ-QZWWFDLISA-N 2 2 357.470 0.206 20 0 FCADLP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047384274 675795433 /nfs/dbraw/zinc/79/54/33/675795433.db2.gz QOGZWZPHIURDBJ-QZWWFDLISA-N 2 2 357.470 0.206 20 0 FCADLP Cc1cc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001047428792 675799470 /nfs/dbraw/zinc/79/94/70/675799470.db2.gz PPGQVMDROIUORJ-ISWURRPUSA-N 2 2 367.515 0.779 20 0 FCADLP Cc1cc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001047428792 675799471 /nfs/dbraw/zinc/79/94/71/675799471.db2.gz PPGQVMDROIUORJ-ISWURRPUSA-N 2 2 367.515 0.779 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001047428792 675799472 /nfs/dbraw/zinc/79/94/72/675799472.db2.gz PPGQVMDROIUORJ-ISWURRPUSA-N 2 2 367.515 0.779 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cs1 ZINC001047428792 675799474 /nfs/dbraw/zinc/79/94/74/675799474.db2.gz PPGQVMDROIUORJ-ISWURRPUSA-N 2 2 367.515 0.779 20 0 FCADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000897512823 1192271503 /nfs/dbraw/zinc/27/15/03/1192271503.db2.gz BHBHUHSPTJDSBC-INIZCTEOSA-N 2 2 370.457 0.912 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020603576 1168148709 /nfs/dbraw/zinc/14/87/09/1168148709.db2.gz HRTFBWAFCBAGBV-KBUPBQIOSA-N 2 2 357.462 0.880 20 0 FCADLP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(=O)N(C)C ZINC001167271545 1168481697 /nfs/dbraw/zinc/48/16/97/1168481697.db2.gz WRTWMABYESOSTH-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP C[C@H](NC(=O)C[NH3+])c1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001212019402 1192334757 /nfs/dbraw/zinc/33/47/57/1192334757.db2.gz OIFVWXPEDMBJCZ-ZDUSSCGKSA-N 2 2 358.446 0.620 20 0 FCADLP C[C@@H](CC(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)n1cc[nH+]c1 ZINC001021662056 1169868743 /nfs/dbraw/zinc/86/87/43/1169868743.db2.gz DVIHTPAAOOUGSW-YESZJQIVSA-N 2 2 371.485 0.989 20 0 FCADLP COc1ncccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482769327 1192382213 /nfs/dbraw/zinc/38/22/13/1192382213.db2.gz HVETXZCPNFGDJA-RRFJBIMHSA-N 2 2 359.430 0.194 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001021707476 1169904485 /nfs/dbraw/zinc/90/44/85/1169904485.db2.gz MVWVJVNINIUOAA-JKSUJKDBSA-N 2 2 359.474 0.508 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001691774393 1169962047 /nfs/dbraw/zinc/96/20/47/1169962047.db2.gz SFIFZGGUPIWZFI-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021801194 1170073986 /nfs/dbraw/zinc/07/39/86/1170073986.db2.gz GAQHSLBNWPXICZ-JYYAWHABSA-N 2 2 359.474 0.660 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001021801194 1170073996 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/nfs/dbraw/zinc/32/53/56/1170325356.db2.gz NKMPQXDOVPDQMV-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001021938142 1170325362 /nfs/dbraw/zinc/32/53/62/1170325362.db2.gz NKMPQXDOVPDQMV-HLLBOEOZSA-N 2 2 359.474 0.886 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001021941836 1170329681 /nfs/dbraw/zinc/32/96/81/1170329681.db2.gz UJDPYAFTCAKHSU-WMLDXEAASA-N 2 2 359.474 0.804 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001021941836 1170329688 /nfs/dbraw/zinc/32/96/88/1170329688.db2.gz UJDPYAFTCAKHSU-WMLDXEAASA-N 2 2 359.474 0.804 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001021997920 1170369184 /nfs/dbraw/zinc/36/91/84/1170369184.db2.gz GYGHPEHKZSUVIM-LZLYRXPVSA-N 2 2 371.485 0.601 20 0 FCADLP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001104363814 1170491712 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/nfs/dbraw/zinc/75/70/64/1170757064.db2.gz NQNGTIZYUOLGKB-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001022213894 1170757067 /nfs/dbraw/zinc/75/70/67/1170757067.db2.gz NQNGTIZYUOLGKB-WMLDXEAASA-N 2 2 359.474 0.506 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001022251726 1170805361 /nfs/dbraw/zinc/80/53/61/1170805361.db2.gz PWERHVZIPRJROB-JKSUJKDBSA-N 2 2 356.430 0.538 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001022251050 1170806163 /nfs/dbraw/zinc/80/61/63/1170806163.db2.gz BCKWCSWNYFQJIU-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP COc1nccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781081 1170822926 /nfs/dbraw/zinc/82/29/26/1170822926.db2.gz HQLRYWXOZSLUAC-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC000971781081 1170822927 /nfs/dbraw/zinc/82/29/27/1170822927.db2.gz HQLRYWXOZSLUAC-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781081 1170822929 /nfs/dbraw/zinc/82/29/29/1170822929.db2.gz HQLRYWXOZSLUAC-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1nccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC000971781081 1170822930 /nfs/dbraw/zinc/82/29/30/1170822930.db2.gz HQLRYWXOZSLUAC-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691114246 1170827297 /nfs/dbraw/zinc/82/72/97/1170827297.db2.gz CDCBKEXRCZQASH-AALSBFMBSA-N 2 2 361.490 0.923 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]21 ZINC001022314116 1170848780 /nfs/dbraw/zinc/84/87/80/1170848780.db2.gz DJVOOLGCWSJXPF-LESCRADOSA-N 2 2 359.474 0.660 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)CC[N@@H+]1C ZINC001022378871 1170897373 /nfs/dbraw/zinc/89/73/73/1170897373.db2.gz SFAQMTIDOZUIQA-YYIAUSFCSA-N 2 2 373.501 0.752 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCc4[nH+]ccn4C)[C@@H]3C2)CC[N@H+]1C ZINC001022378871 1170897374 /nfs/dbraw/zinc/89/73/74/1170897374.db2.gz SFAQMTIDOZUIQA-YYIAUSFCSA-N 2 2 373.501 0.752 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001691263066 1170981664 /nfs/dbraw/zinc/98/16/64/1170981664.db2.gz BXFCYRWYMKXTAF-HRCADAONSA-N 2 2 361.490 0.753 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001691263648 1170987710 /nfs/dbraw/zinc/98/77/10/1170987710.db2.gz ZVPBARAYAPTRMU-UONOGXRCSA-N 2 2 363.441 0.598 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001691283830 1171032339 /nfs/dbraw/zinc/03/23/39/1171032339.db2.gz QEEWZMDIDFURAC-JKSUJKDBSA-N 2 2 361.450 0.229 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001691283830 1171032347 /nfs/dbraw/zinc/03/23/47/1171032347.db2.gz QEEWZMDIDFURAC-JKSUJKDBSA-N 2 2 361.450 0.229 20 0 FCADLP O=C(CC[N@@H+]1CCC[C@@H]1C1OCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000933909118 1171060637 /nfs/dbraw/zinc/06/06/37/1171060637.db2.gz LIXVUWFEBHFHLA-MRXNPFEDSA-N 2 2 360.458 0.958 20 0 FCADLP O=C(CC[N@H+]1CCC[C@@H]1C1OCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000933909118 1171060646 /nfs/dbraw/zinc/06/06/46/1171060646.db2.gz LIXVUWFEBHFHLA-MRXNPFEDSA-N 2 2 360.458 0.958 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022523042 1171357557 /nfs/dbraw/zinc/35/75/57/1171357557.db2.gz SILYMYJBFAZNBM-ARFHVFGLSA-N 2 2 357.458 0.353 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000988776042 1192468602 /nfs/dbraw/zinc/46/86/02/1192468602.db2.gz PMBUQUVLKQVWLO-ZBFHGGJFSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001087196325 1171515548 /nfs/dbraw/zinc/51/55/48/1171515548.db2.gz JNDJGDYOYYYKKA-KGLIPLIRSA-N 2 2 361.450 0.112 20 0 FCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001087196422 1171517512 /nfs/dbraw/zinc/51/75/12/1171517512.db2.gz OAWTUIAMXZHJNV-ILXRZTDVSA-N 2 2 361.446 0.295 20 0 FCADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892187234 1171711942 /nfs/dbraw/zinc/71/19/42/1171711942.db2.gz JTFNATMKXADCBI-IXDOHACOSA-N 2 2 358.490 0.734 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022721060 1171813960 /nfs/dbraw/zinc/81/39/60/1171813960.db2.gz NUEMYBBQFFXXHE-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)C1 ZINC001022721060 1171813961 /nfs/dbraw/zinc/81/39/61/1171813961.db2.gz NUEMYBBQFFXXHE-OWCLPIDISA-N 2 2 359.474 0.743 20 0 FCADLP CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022734026 1171835378 /nfs/dbraw/zinc/83/53/78/1171835378.db2.gz HRTFBWAFCBAGBV-LXTVHRRPSA-N 2 2 357.462 0.880 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000972252210 1171888111 /nfs/dbraw/zinc/88/81/11/1171888111.db2.gz ABQVKAZGFAKSSH-IXDOHACOSA-N 2 2 371.485 0.601 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3COCC[NH2+]3)C2)c1 ZINC000892288577 1172016519 /nfs/dbraw/zinc/01/65/19/1172016519.db2.gz DCFGKRMBIPFZIO-QZTJIDSGSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3COCC[NH2+]3)C2)c1 ZINC000892288577 1172016529 /nfs/dbraw/zinc/01/65/29/1172016529.db2.gz DCFGKRMBIPFZIO-QZTJIDSGSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892290666 1172028225 /nfs/dbraw/zinc/02/82/25/1172028225.db2.gz ITYAZILUGHONON-SFHVURJKSA-N 2 2 364.490 0.860 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892290666 1172028229 /nfs/dbraw/zinc/02/82/29/1172028229.db2.gz ITYAZILUGHONON-SFHVURJKSA-N 2 2 364.490 0.860 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022843437 1172050885 /nfs/dbraw/zinc/05/08/85/1172050885.db2.gz KTJNLYGHFKBMBG-DOTOQJQBSA-N 2 2 359.474 0.888 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC[N@@H+]1C ZINC000972432417 1172133354 /nfs/dbraw/zinc/13/33/54/1172133354.db2.gz RVLCCFKSFBKFPY-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)CC[N@H+]1C ZINC000972432417 1172133361 /nfs/dbraw/zinc/13/33/61/1172133361.db2.gz RVLCCFKSFBKFPY-YYIAUSFCSA-N 2 2 359.474 0.673 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000989023905 1192629525 /nfs/dbraw/zinc/62/95/25/1192629525.db2.gz GIZBLXRHRUZUHO-PMPSAXMXSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000989023905 1192629533 /nfs/dbraw/zinc/62/95/33/1192629533.db2.gz GIZBLXRHRUZUHO-PMPSAXMXSA-N 2 2 364.490 0.051 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000989116987 1192688917 /nfs/dbraw/zinc/68/89/17/1192688917.db2.gz CIIIWRRERYWSIX-COXVUDFISA-N 2 2 371.441 0.384 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000989116987 1192688919 /nfs/dbraw/zinc/68/89/19/1192688919.db2.gz CIIIWRRERYWSIX-COXVUDFISA-N 2 2 371.441 0.384 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001088636306 1192742196 /nfs/dbraw/zinc/74/21/96/1192742196.db2.gz RXOPWJKMXDJZBY-SYQHCUMBSA-N 2 2 374.445 0.034 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001088636306 1192742201 /nfs/dbraw/zinc/74/22/01/1192742201.db2.gz RXOPWJKMXDJZBY-SYQHCUMBSA-N 2 2 374.445 0.034 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088679242 1192818494 /nfs/dbraw/zinc/81/84/94/1192818494.db2.gz KAWNDDTUVWIBFC-KFWWJZLASA-N 2 2 360.462 0.050 20 0 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COc1ncccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943189 1192866896 /nfs/dbraw/zinc/86/68/96/1192866896.db2.gz FZICSOMKENXXQG-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ncccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943189 1192866897 /nfs/dbraw/zinc/86/68/97/1192866897.db2.gz FZICSOMKENXXQG-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943189 1192866901 /nfs/dbraw/zinc/86/69/01/1192866901.db2.gz FZICSOMKENXXQG-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP COc1ncccc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075943189 1192866903 /nfs/dbraw/zinc/86/69/03/1192866903.db2.gz FZICSOMKENXXQG-CYGHRXIMSA-N 2 2 374.485 0.842 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001691563860 1192883233 /nfs/dbraw/zinc/88/32/33/1192883233.db2.gz HPUZDSPDXOULHX-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001691563860 1192883237 /nfs/dbraw/zinc/88/32/37/1192883237.db2.gz HPUZDSPDXOULHX-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001691576075 1192890597 /nfs/dbraw/zinc/89/05/97/1192890597.db2.gz LKZUFJHGFCOLEB-OAGGEKHMSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001691576075 1192890599 /nfs/dbraw/zinc/89/05/99/1192890599.db2.gz LKZUFJHGFCOLEB-OAGGEKHMSA-N 2 2 361.490 0.988 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104441279 1178868649 /nfs/dbraw/zinc/86/86/49/1178868649.db2.gz CVOWJAZYCWDTQX-HZPDHXFCSA-N 2 2 359.478 0.719 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104468058 1179067314 /nfs/dbraw/zinc/06/73/14/1179067314.db2.gz HPDIDIWIOGXZHQ-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112515747 1179078531 /nfs/dbraw/zinc/07/85/31/1179078531.db2.gz BEWGFRKBVJXKSN-HQRMLTQVSA-N 2 2 365.518 0.840 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112515747 1179078541 /nfs/dbraw/zinc/07/85/41/1179078541.db2.gz BEWGFRKBVJXKSN-HQRMLTQVSA-N 2 2 365.518 0.840 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342667 1179164706 /nfs/dbraw/zinc/16/47/06/1179164706.db2.gz LPGDYFNVEDUTAV-QGZVFWFLSA-N 2 2 362.474 0.167 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001087240696 1179381913 /nfs/dbraw/zinc/38/19/13/1179381913.db2.gz OHPVLDRZCYQVTB-XBFCOCLRSA-N 2 2 361.446 0.283 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379919 1179507658 /nfs/dbraw/zinc/50/76/58/1179507658.db2.gz OHKVBFCNRUYCGT-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379919 1179507675 /nfs/dbraw/zinc/50/76/75/1179507675.db2.gz OHKVBFCNRUYCGT-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023379919 1179507701 /nfs/dbraw/zinc/50/77/01/1179507701.db2.gz OHKVBFCNRUYCGT-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023379919 1179507711 /nfs/dbraw/zinc/50/77/11/1179507711.db2.gz OHKVBFCNRUYCGT-OWCLPIDISA-N 2 2 363.510 0.922 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001023427561 1179692394 /nfs/dbraw/zinc/69/23/94/1179692394.db2.gz MPOVYNVEKBZIDG-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001023427561 1179692407 /nfs/dbraw/zinc/69/24/07/1179692407.db2.gz MPOVYNVEKBZIDG-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023427561 1179692414 /nfs/dbraw/zinc/69/24/14/1179692414.db2.gz MPOVYNVEKBZIDG-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP O=C(NC[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023427561 1179692422 /nfs/dbraw/zinc/69/24/22/1179692422.db2.gz MPOVYNVEKBZIDG-ARFHVFGLSA-N 2 2 359.474 0.964 20 0 FCADLP CCc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450447 1179752196 /nfs/dbraw/zinc/75/21/96/1179752196.db2.gz GDHVGWWRQZECRJ-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450447 1179752207 /nfs/dbraw/zinc/75/22/07/1179752207.db2.gz GDHVGWWRQZECRJ-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450447 1179752214 /nfs/dbraw/zinc/75/22/14/1179752214.db2.gz GDHVGWWRQZECRJ-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450447 1179752223 /nfs/dbraw/zinc/75/22/23/1179752223.db2.gz GDHVGWWRQZECRJ-QLFBSQMISA-N 2 2 365.478 0.679 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450944 1179754002 /nfs/dbraw/zinc/75/40/02/1179754002.db2.gz KSKBPXDGOQWCFE-SOLBZPMBSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450944 1179754010 /nfs/dbraw/zinc/75/40/10/1179754010.db2.gz KSKBPXDGOQWCFE-SOLBZPMBSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450944 1179754021 /nfs/dbraw/zinc/75/40/21/1179754021.db2.gz KSKBPXDGOQWCFE-SOLBZPMBSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1C ZINC001023450944 1179754031 /nfs/dbraw/zinc/75/40/31/1179754031.db2.gz KSKBPXDGOQWCFE-SOLBZPMBSA-N 2 2 363.506 0.776 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083262499 1179910208 /nfs/dbraw/zinc/91/02/08/1179910208.db2.gz XZFVLOGEHFFFOB-DLBZAZTESA-N 2 2 358.446 0.161 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083262499 1179910212 /nfs/dbraw/zinc/91/02/12/1179910212.db2.gz XZFVLOGEHFFFOB-DLBZAZTESA-N 2 2 358.446 0.161 20 0 FCADLP CN(CCNC(=O)CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001745113740 1179965161 /nfs/dbraw/zinc/96/51/61/1179965161.db2.gz WZDMZKGQNLUPHI-HZPDHXFCSA-N 2 2 361.490 0.830 20 0 FCADLP O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000972608543 1179969987 /nfs/dbraw/zinc/96/99/87/1179969987.db2.gz UPKHNBHWZZBNMR-IAGOWNOFSA-N 2 2 359.474 0.818 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nonc2C)C1 ZINC001087248130 1180009020 /nfs/dbraw/zinc/00/90/20/1180009020.db2.gz PNNSQNLVBSZDQH-UKPHBRMFSA-N 2 2 365.478 0.815 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nonc2C)C1 ZINC001087248130 1180009026 /nfs/dbraw/zinc/00/90/26/1180009026.db2.gz PNNSQNLVBSZDQH-UKPHBRMFSA-N 2 2 365.478 0.815 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691462938 1180068049 /nfs/dbraw/zinc/06/80/49/1180068049.db2.gz AJEPMYAKZKMNAV-QKPAOTATSA-N 2 2 361.490 0.876 20 0 FCADLP CN(CC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691481859 1180540394 /nfs/dbraw/zinc/54/03/94/1180540394.db2.gz OBAGAFMGCHVEBH-RBSFLKMASA-N 2 2 361.490 0.971 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1c1ncccn1 ZINC000080653153 1180544150 /nfs/dbraw/zinc/54/41/50/1180544150.db2.gz NVNXPHXTHNLUMS-QGZVFWFLSA-N 2 2 360.506 0.930 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1c1ncccn1 ZINC000080653153 1180544185 /nfs/dbraw/zinc/54/41/85/1180544185.db2.gz NVNXPHXTHNLUMS-QGZVFWFLSA-N 2 2 360.506 0.930 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1c1ncccn1 ZINC000080653151 1180546348 /nfs/dbraw/zinc/54/63/48/1180546348.db2.gz NVNXPHXTHNLUMS-KRWDZBQOSA-N 2 2 360.506 0.930 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1c1ncccn1 ZINC000080653151 1180546361 /nfs/dbraw/zinc/54/63/61/1180546361.db2.gz NVNXPHXTHNLUMS-KRWDZBQOSA-N 2 2 360.506 0.930 20 0 FCADLP CCc1nc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024038554 1180806138 /nfs/dbraw/zinc/80/61/38/1180806138.db2.gz JAZFQJMOMYJNCL-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1nc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001024038554 1180806140 /nfs/dbraw/zinc/80/61/40/1180806140.db2.gz JAZFQJMOMYJNCL-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP Cn1cnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001024164052 1180931003 /nfs/dbraw/zinc/93/10/03/1180931003.db2.gz TXJLQVRQIOATPM-RRFJBIMHSA-N 2 2 357.462 0.681 20 0 FCADLP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)ncn1 ZINC001024505471 1181259443 /nfs/dbraw/zinc/25/94/43/1181259443.db2.gz DMSVAMNUTICITK-BPQIPLTHSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506443 1181260886 /nfs/dbraw/zinc/26/08/86/1181260886.db2.gz MADKPUYWSZNENX-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506443 1181260890 /nfs/dbraw/zinc/26/08/90/1181260890.db2.gz MADKPUYWSZNENX-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506443 1181260898 /nfs/dbraw/zinc/26/08/98/1181260898.db2.gz MADKPUYWSZNENX-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP Cc1nccnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506443 1181260904 /nfs/dbraw/zinc/26/09/04/1181260904.db2.gz MADKPUYWSZNENX-QGPMSJSTSA-N 2 2 361.490 0.975 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1CCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572785 1181347196 /nfs/dbraw/zinc/34/71/96/1181347196.db2.gz URMSTGRPLMWIRO-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001024572785 1181347208 /nfs/dbraw/zinc/34/72/08/1181347208.db2.gz URMSTGRPLMWIRO-KSZLIROESA-N 2 2 369.506 0.219 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734551 1181636147 /nfs/dbraw/zinc/63/61/47/1181636147.db2.gz XWLYNZGQGCKLCF-DLBZAZTESA-N 2 2 355.442 0.603 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC000972999984 1181878030 /nfs/dbraw/zinc/87/80/30/1181878030.db2.gz LKYKFHKAPUBFHA-IAGOWNOFSA-N 2 2 359.474 0.818 20 0 FCADLP Cn1cnnc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001025090233 1181953798 /nfs/dbraw/zinc/95/37/98/1181953798.db2.gz FAYSCWRLRSVYBG-RBSFLKMASA-N 2 2 357.462 0.823 20 0 FCADLP COCCOC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728911 1182400821 /nfs/dbraw/zinc/40/08/21/1182400821.db2.gz HIYJGOJWUSCZOL-BFYDXBDKSA-N 2 2 368.478 0.050 20 0 FCADLP CC(=O)NCCOCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729199 1182401646 /nfs/dbraw/zinc/40/16/46/1182401646.db2.gz QWZJXAJFUZEGBC-GDBMZVCRSA-N 2 2 365.478 0.179 20 0 FCADLP COC[C@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267612426 1182408349 /nfs/dbraw/zinc/40/83/49/1182408349.db2.gz JTUBQAIZUMYSJI-GVDBMIGSSA-N 2 2 363.506 0.635 20 0 FCADLP CNc1nc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]c(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000549176458 1182527610 /nfs/dbraw/zinc/52/76/10/1182527610.db2.gz NNCBLVZACTWCBY-GJZGRUSLSA-N 3 2 362.526 0.111 20 0 FCADLP CC(=O)OC[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000892885883 1182561241 /nfs/dbraw/zinc/56/12/41/1182561241.db2.gz KDFOEPMDJLPWRV-HOCLYGCPSA-N 2 2 363.462 0.823 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815077 1182859162 /nfs/dbraw/zinc/85/91/62/1182859162.db2.gz OSYVVOQSFQGJIM-FLMUCADWSA-N 2 2 369.469 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815077 1182859166 /nfs/dbraw/zinc/85/91/66/1182859166.db2.gz OSYVVOQSFQGJIM-FLMUCADWSA-N 2 2 369.469 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815077 1182859168 /nfs/dbraw/zinc/85/91/68/1182859168.db2.gz OSYVVOQSFQGJIM-FLMUCADWSA-N 2 2 369.469 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815077 1182859169 /nfs/dbraw/zinc/85/91/69/1182859169.db2.gz OSYVVOQSFQGJIM-FLMUCADWSA-N 2 2 369.469 0.713 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815096 1182859666 /nfs/dbraw/zinc/85/96/66/1182859666.db2.gz SIHUDQVCOAMDLQ-LAZHCISSSA-N 2 2 357.458 0.476 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815096 1182859668 /nfs/dbraw/zinc/85/96/68/1182859668.db2.gz SIHUDQVCOAMDLQ-LAZHCISSSA-N 2 2 357.458 0.476 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815096 1182859670 /nfs/dbraw/zinc/85/96/70/1182859670.db2.gz SIHUDQVCOAMDLQ-LAZHCISSSA-N 2 2 357.458 0.476 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815096 1182859673 /nfs/dbraw/zinc/85/96/73/1182859673.db2.gz SIHUDQVCOAMDLQ-LAZHCISSSA-N 2 2 357.458 0.476 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCOC34CCOCC4)C2)CC1 ZINC000893022170 1182866293 /nfs/dbraw/zinc/86/62/93/1182866293.db2.gz KKKOIDZVJVKHLV-DOTOQJQBSA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCOC34CCOCC4)C2)CC1 ZINC000893022170 1182866295 /nfs/dbraw/zinc/86/62/95/1182866295.db2.gz KKKOIDZVJVKHLV-DOTOQJQBSA-N 2 2 366.506 0.792 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974187805 1183036801 /nfs/dbraw/zinc/03/68/01/1183036801.db2.gz ULCSSLSBJUJJPV-DMRZNYOFSA-N 2 2 360.458 0.736 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974187805 1183036807 /nfs/dbraw/zinc/03/68/07/1183036807.db2.gz ULCSSLSBJUJJPV-DMRZNYOFSA-N 2 2 360.458 0.736 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001105102075 1183123505 /nfs/dbraw/zinc/12/35/05/1183123505.db2.gz XSRJSALXAPZUCX-BZUAXINKSA-N 2 2 357.462 0.736 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)NCC[NH+]1CCCCC1 ZINC000909327746 1183217695 /nfs/dbraw/zinc/21/76/95/1183217695.db2.gz XRTQHCLGCKYREV-GOSISDBHSA-N 2 2 373.501 0.764 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)NCC[NH+]1CCCCC1 ZINC000909327746 1183217700 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1186343885 /nfs/dbraw/zinc/34/38/85/1186343885.db2.gz WONWEKIIISHDLW-UAGQMJEPSA-N 2 2 366.506 0.141 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001745515174 1186628286 /nfs/dbraw/zinc/62/82/86/1186628286.db2.gz YKDUGJALJKXBIF-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001745515174 1186628290 /nfs/dbraw/zinc/62/82/90/1186628290.db2.gz YKDUGJALJKXBIF-FVQBIDKESA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC000982022169 1186630210 /nfs/dbraw/zinc/63/02/10/1186630210.db2.gz SQIFUVGFKUTLCW-OAGGEKHMSA-N 2 2 371.485 0.727 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H]1CCCNC1=O)C2 ZINC000982022169 1186630216 /nfs/dbraw/zinc/63/02/16/1186630216.db2.gz SQIFUVGFKUTLCW-OAGGEKHMSA-N 2 2 371.485 0.727 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211733909 1187536004 /nfs/dbraw/zinc/53/60/04/1187536004.db2.gz GOTNEJPTJHESJC-ZWKOTPCHSA-N 2 2 369.469 0.994 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643938 1187567798 /nfs/dbraw/zinc/56/77/98/1187567798.db2.gz QFBQPIBRXPJTRI-KSZLIROESA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)n1 ZINC001075643938 1187567809 /nfs/dbraw/zinc/56/78/09/1187567809.db2.gz QFBQPIBRXPJTRI-KSZLIROESA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643938 1187567815 /nfs/dbraw/zinc/56/78/15/1187567815.db2.gz QFBQPIBRXPJTRI-KSZLIROESA-N 2 2 361.490 0.363 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+](C)CCO4)[C@@H]3C2)n1 ZINC001075643938 1187567825 /nfs/dbraw/zinc/56/78/25/1187567825.db2.gz QFBQPIBRXPJTRI-KSZLIROESA-N 2 2 361.490 0.363 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc4n3CCCC4)C2)CC[N@@H+]1C ZINC001028549998 1187602016 /nfs/dbraw/zinc/60/20/16/1187602016.db2.gz DWXWJLQTQQMAJF-OWCLPIDISA-N 2 2 360.506 0.893 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnc4n3CCCC4)C2)CC[N@H+]1C ZINC001028549998 1187602025 /nfs/dbraw/zinc/60/20/25/1187602025.db2.gz DWXWJLQTQQMAJF-OWCLPIDISA-N 2 2 360.506 0.893 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nnc4n3CCCC4)C2)CC[NH+]1C ZINC001028549998 1187602030 /nfs/dbraw/zinc/60/20/30/1187602030.db2.gz DWXWJLQTQQMAJF-OWCLPIDISA-N 2 2 360.506 0.893 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc4n3CCCC4)C2)CC[NH+]1C ZINC001028549998 1187602036 /nfs/dbraw/zinc/60/20/36/1187602036.db2.gz DWXWJLQTQQMAJF-OWCLPIDISA-N 2 2 360.506 0.893 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnnn3C3CC3)C2)CC[N@@H+]1C ZINC001028553014 1187604815 /nfs/dbraw/zinc/60/48/15/1187604815.db2.gz YSZJNNHULJYZAP-CWRNSKLLSA-N 2 2 361.494 0.676 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3nnnn3C3CC3)C2)CC[N@H+]1C ZINC001028553014 1187604820 /nfs/dbraw/zinc/60/48/20/1187604820.db2.gz YSZJNNHULJYZAP-CWRNSKLLSA-N 2 2 361.494 0.676 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001028553014 1187604823 /nfs/dbraw/zinc/60/48/23/1187604823.db2.gz YSZJNNHULJYZAP-CWRNSKLLSA-N 2 2 361.494 0.676 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)CC[NH+]1C ZINC001028553014 1187604829 /nfs/dbraw/zinc/60/48/29/1187604829.db2.gz YSZJNNHULJYZAP-CWRNSKLLSA-N 2 2 361.494 0.676 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372328 1187693255 /nfs/dbraw/zinc/69/32/55/1187693255.db2.gz LASDHICJBCMGKV-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372328 1187693257 /nfs/dbraw/zinc/69/32/57/1187693257.db2.gz LASDHICJBCMGKV-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372328 1187693259 /nfs/dbraw/zinc/69/32/59/1187693259.db2.gz LASDHICJBCMGKV-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1O ZINC001083372328 1187693261 /nfs/dbraw/zinc/69/32/61/1187693261.db2.gz LASDHICJBCMGKV-PMPSAXMXSA-N 2 2 361.442 0.213 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385133 1187712386 /nfs/dbraw/zinc/71/23/86/1187712386.db2.gz FEOXDPBNQXKKRM-SQNIBIBYSA-N 2 2 358.442 0.160 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385133 1187712392 /nfs/dbraw/zinc/71/23/92/1187712392.db2.gz FEOXDPBNQXKKRM-SQNIBIBYSA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385133 1187712401 /nfs/dbraw/zinc/71/24/01/1187712401.db2.gz FEOXDPBNQXKKRM-SQNIBIBYSA-N 2 2 358.442 0.160 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2O)C1 ZINC001083385133 1187712405 /nfs/dbraw/zinc/71/24/05/1187712405.db2.gz FEOXDPBNQXKKRM-SQNIBIBYSA-N 2 2 358.442 0.160 20 0 FCADLP CC(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385606 1187713882 /nfs/dbraw/zinc/71/38/82/1187713882.db2.gz SWVGWJBSNFVBIX-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385606 1187713884 /nfs/dbraw/zinc/71/38/84/1187713884.db2.gz SWVGWJBSNFVBIX-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385606 1187713887 /nfs/dbraw/zinc/71/38/87/1187713887.db2.gz SWVGWJBSNFVBIX-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP CC(C)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)cc1 ZINC001083385606 1187713889 /nfs/dbraw/zinc/71/38/89/1187713889.db2.gz SWVGWJBSNFVBIX-QYZOEREBSA-N 2 2 361.486 0.802 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1nnnn1C1CC1 ZINC001482141861 1187718153 /nfs/dbraw/zinc/71/81/53/1187718153.db2.gz HHAAWFUHKABRGA-MRVWCRGKSA-N 2 2 358.450 0.387 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001028606453 1187748021 /nfs/dbraw/zinc/74/80/21/1187748021.db2.gz TXCJJZIKVFWTOM-BZUAXINKSA-N 2 2 357.462 0.860 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001028606453 1187748024 /nfs/dbraw/zinc/74/80/24/1187748024.db2.gz TXCJJZIKVFWTOM-BZUAXINKSA-N 2 2 357.462 0.860 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001028606453 1187748027 /nfs/dbraw/zinc/74/80/27/1187748027.db2.gz TXCJJZIKVFWTOM-BZUAXINKSA-N 2 2 357.462 0.860 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001028606453 1187748030 /nfs/dbraw/zinc/74/80/30/1187748030.db2.gz TXCJJZIKVFWTOM-BZUAXINKSA-N 2 2 357.462 0.860 20 0 FCADLP O=C(NC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000983014883 1187815770 /nfs/dbraw/zinc/81/57/70/1187815770.db2.gz NFCWXTIGIHPOJE-RBSFLKMASA-N 2 2 357.458 0.574 20 0 FCADLP O=C(NC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000983014883 1187815772 /nfs/dbraw/zinc/81/57/72/1187815772.db2.gz NFCWXTIGIHPOJE-RBSFLKMASA-N 2 2 357.458 0.574 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC000983105458 1187834145 /nfs/dbraw/zinc/83/41/45/1187834145.db2.gz NHLZQKWSXODYKT-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC000983105458 1187834149 /nfs/dbraw/zinc/83/41/49/1187834149.db2.gz NHLZQKWSXODYKT-BFYDXBDKSA-N 2 2 361.490 0.658 20 0 FCADLP CN(CC1CC1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001269493951 1187852548 /nfs/dbraw/zinc/85/25/48/1187852548.db2.gz JNSNUPHEIGZANM-HUUCEWRRSA-N 2 2 359.474 0.630 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810915 1187907798 /nfs/dbraw/zinc/90/77/98/1187907798.db2.gz FJANGUWMTIUWBV-NUEKZKHPSA-N 2 2 357.462 0.773 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810915 1187907801 /nfs/dbraw/zinc/90/78/01/1187907801.db2.gz FJANGUWMTIUWBV-NUEKZKHPSA-N 2 2 357.462 0.773 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001270155611 1188033256 /nfs/dbraw/zinc/03/32/56/1188033256.db2.gz PSJJVQHRPRQTSC-CVEARBPZSA-N 2 2 359.474 0.722 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075744226 1188060806 /nfs/dbraw/zinc/06/08/06/1188060806.db2.gz GBHFIZUARXQVGX-HRCADAONSA-N 2 2 359.474 0.791 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001075744226 1188060809 /nfs/dbraw/zinc/06/08/09/1188060809.db2.gz GBHFIZUARXQVGX-HRCADAONSA-N 2 2 359.474 0.791 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001270329756 1188097717 /nfs/dbraw/zinc/09/77/17/1188097717.db2.gz RGSXLOKOHJWTBO-IFXJQAMLSA-N 2 2 359.474 0.842 20 0 FCADLP C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)C1 ZINC001270332349 1188099869 /nfs/dbraw/zinc/09/98/69/1188099869.db2.gz IKLGLXWXCCOPMT-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP C[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)C1 ZINC001270332349 1188099875 /nfs/dbraw/zinc/09/98/75/1188099875.db2.gz IKLGLXWXCCOPMT-BRWVUGGUSA-N 2 2 359.474 0.817 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270491123 1188172399 /nfs/dbraw/zinc/17/23/99/1188172399.db2.gz VFFRRMLDTAPVAI-BEFAXECRSA-N 2 2 359.474 0.855 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)CCCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270491123 1188172401 /nfs/dbraw/zinc/17/24/01/1188172401.db2.gz VFFRRMLDTAPVAI-BEFAXECRSA-N 2 2 359.474 0.855 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000550388376 1188344966 /nfs/dbraw/zinc/34/49/66/1188344966.db2.gz VOXUTXQECCPOEU-UHFFFAOYSA-N 2 2 361.490 0.869 20 0 FCADLP C[NH2+][C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000515300610 1188407347 /nfs/dbraw/zinc/40/73/47/1188407347.db2.gz MFUKVHZSIGYEKQ-GOSISDBHSA-N 3 2 370.501 0.790 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC000984014448 1189371758 /nfs/dbraw/zinc/37/17/58/1189371758.db2.gz KWZUNHPEEHQINB-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(C4CC4)no3)C2)O1 ZINC000984014448 1189371762 /nfs/dbraw/zinc/37/17/62/1189371762.db2.gz KWZUNHPEEHQINB-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccnc1OC ZINC001087529893 1189385440 /nfs/dbraw/zinc/38/54/40/1189385440.db2.gz YDJAFXJKKRTDDQ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccnc1OC ZINC001087529893 1189385444 /nfs/dbraw/zinc/38/54/44/1189385444.db2.gz YDJAFXJKKRTDDQ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccnc1OC ZINC001087529893 1189385448 /nfs/dbraw/zinc/38/54/48/1189385448.db2.gz YDJAFXJKKRTDDQ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccnc1OC ZINC001087529893 1189385452 /nfs/dbraw/zinc/38/54/52/1189385452.db2.gz YDJAFXJKKRTDDQ-BBWFWOEESA-N 2 2 362.474 0.890 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCn1cncn1 ZINC001087630678 1189679929 /nfs/dbraw/zinc/67/99/29/1189679929.db2.gz SJNUVZHZDCDHSN-OWCLPIDISA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCn1cncn1 ZINC001087630678 1189679936 /nfs/dbraw/zinc/67/99/36/1189679936.db2.gz SJNUVZHZDCDHSN-OWCLPIDISA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCn1cncn1 ZINC001087629005 1189689104 /nfs/dbraw/zinc/68/91/04/1189689104.db2.gz XSOOLDLYVJQWNI-HYVNUMGLSA-N 2 2 357.462 0.706 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCn1cncn1 ZINC001087629005 1189689115 /nfs/dbraw/zinc/68/91/15/1189689115.db2.gz XSOOLDLYVJQWNI-HYVNUMGLSA-N 2 2 357.462 0.706 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765661 1189806279 /nfs/dbraw/zinc/80/62/79/1189806279.db2.gz UBIXTTUSMDRUEG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765661 1189806280 /nfs/dbraw/zinc/80/62/80/1189806280.db2.gz UBIXTTUSMDRUEG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765661 1189806281 /nfs/dbraw/zinc/80/62/81/1189806281.db2.gz UBIXTTUSMDRUEG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)[C@@H]1C ZINC001691765661 1189806283 /nfs/dbraw/zinc/80/62/83/1189806283.db2.gz UBIXTTUSMDRUEG-HYVNUMGLSA-N 2 2 350.507 0.966 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2CC3(CCOCC3)[C@@H](O)C2=O)C1 ZINC000840017124 1189812821 /nfs/dbraw/zinc/81/28/21/1189812821.db2.gz GDKXSDWAZADXCW-IRXDYDNUSA-N 2 2 369.506 0.377 20 0 FCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2CC3(CCOCC3)[C@@H](O)C2=O)C1 ZINC000840017124 1189812824 /nfs/dbraw/zinc/81/28/24/1189812824.db2.gz GDKXSDWAZADXCW-IRXDYDNUSA-N 2 2 369.506 0.377 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cnc(C)cn1 ZINC001087837186 1189845585 /nfs/dbraw/zinc/84/55/85/1189845585.db2.gz XNVUSUUIZWIKPJ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cnc(C)cn1 ZINC001087837186 1189845588 /nfs/dbraw/zinc/84/55/88/1189845588.db2.gz XNVUSUUIZWIKPJ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)cn1 ZINC001087837186 1189845591 /nfs/dbraw/zinc/84/55/91/1189845591.db2.gz XNVUSUUIZWIKPJ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cnc(C)cn1 ZINC001087837186 1189845592 /nfs/dbraw/zinc/84/55/92/1189845592.db2.gz XNVUSUUIZWIKPJ-KSZLIROESA-N 2 2 361.490 0.975 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840315 1189847966 /nfs/dbraw/zinc/84/79/66/1189847966.db2.gz RADHOCYFBCMYHW-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840315 1189847967 /nfs/dbraw/zinc/84/79/67/1189847967.db2.gz RADHOCYFBCMYHW-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840315 1189847968 /nfs/dbraw/zinc/84/79/68/1189847968.db2.gz RADHOCYFBCMYHW-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1nc(=O)n(C)[nH]1 ZINC001087840315 1189847972 /nfs/dbraw/zinc/84/79/72/1189847972.db2.gz RADHOCYFBCMYHW-RRFJBIMHSA-N 2 2 364.494 0.452 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1C ZINC000895685693 1189874874 /nfs/dbraw/zinc/87/48/74/1189874874.db2.gz NCCXEXOEUGBOMI-MRXNPFEDSA-N 2 2 364.490 0.698 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964301 1190010587 /nfs/dbraw/zinc/01/05/87/1190010587.db2.gz GAWRSLXPPZLXBV-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964301 1190010597 /nfs/dbraw/zinc/01/05/97/1190010597.db2.gz GAWRSLXPPZLXBV-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964301 1190010599 /nfs/dbraw/zinc/01/05/99/1190010599.db2.gz GAWRSLXPPZLXBV-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001087964301 1190010606 /nfs/dbraw/zinc/01/06/06/1190010606.db2.gz GAWRSLXPPZLXBV-IXDOHACOSA-N 2 2 360.506 0.968 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[N@H+]([C@H](C)C(N)=O)CC[C@@H]4C3)ccn12 ZINC001087966082 1190018299 /nfs/dbraw/zinc/01/82/99/1190018299.db2.gz KKQUFUNSVIJWIA-BMFZPTHFSA-N 2 2 355.442 0.910 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[N@@H+]([C@H](C)C(N)=O)CC[C@@H]4C3)ccn12 ZINC001087966082 1190018305 /nfs/dbraw/zinc/01/83/05/1190018305.db2.gz KKQUFUNSVIJWIA-BMFZPTHFSA-N 2 2 355.442 0.910 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)[nH]1 ZINC001087967815 1190024392 /nfs/dbraw/zinc/02/43/92/1190024392.db2.gz MXAOSWJHLJVBHZ-IKGGRYGDSA-N 2 2 358.490 0.735 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@@H]3C2)[nH]1 ZINC001087967815 1190024399 /nfs/dbraw/zinc/02/43/99/1190024399.db2.gz MXAOSWJHLJVBHZ-IKGGRYGDSA-N 2 2 358.490 0.735 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087969825 1190025820 /nfs/dbraw/zinc/02/58/20/1190025820.db2.gz QMJFHGWKSAWAKJ-ZJPYXAASSA-N 2 2 358.486 0.927 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087969825 1190025824 /nfs/dbraw/zinc/02/58/24/1190025824.db2.gz QMJFHGWKSAWAKJ-ZJPYXAASSA-N 2 2 358.486 0.927 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[N@@H+]1C ZINC001087972255 1190032710 /nfs/dbraw/zinc/03/27/10/1190032710.db2.gz SVNUMMWXDARJKY-MXSMSXNCSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[N@H+]1C ZINC001087972255 1190032714 /nfs/dbraw/zinc/03/27/14/1190032714.db2.gz SVNUMMWXDARJKY-MXSMSXNCSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972255 1190032719 /nfs/dbraw/zinc/03/27/19/1190032719.db2.gz SVNUMMWXDARJKY-MXSMSXNCSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972255 1190032725 /nfs/dbraw/zinc/03/27/25/1190032725.db2.gz SVNUMMWXDARJKY-MXSMSXNCSA-N 2 2 360.506 0.826 20 0 FCADLP CCn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)n1 ZINC000984824618 1190163172 /nfs/dbraw/zinc/16/31/72/1190163172.db2.gz MBUQFAGDFPFWHF-RRCSTGOVSA-N 2 2 357.462 0.820 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)n4)CC[C@@H]3C2)O1 ZINC001088012199 1190210670 /nfs/dbraw/zinc/21/06/70/1190210670.db2.gz XOYWBEFRQLSVBB-XLMAVXFVSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)n4)CC[C@@H]3C2)O1 ZINC001088012199 1190210676 /nfs/dbraw/zinc/21/06/76/1190210676.db2.gz XOYWBEFRQLSVBB-XLMAVXFVSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccn(C)n4)CC[C@@H]3C2)O1 ZINC001088012199 1190210684 /nfs/dbraw/zinc/21/06/84/1190210684.db2.gz XOYWBEFRQLSVBB-XLMAVXFVSA-N 2 2 361.490 0.420 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccn(C)n4)CC[C@@H]3C2)O1 ZINC001088012199 1190210689 /nfs/dbraw/zinc/21/06/89/1190210689.db2.gz XOYWBEFRQLSVBB-XLMAVXFVSA-N 2 2 361.490 0.420 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)CCc1[nH+]ccn1C ZINC000984898262 1190229427 /nfs/dbraw/zinc/22/94/27/1190229427.db2.gz GPOUDOSZUDVFQW-JKSUJKDBSA-N 2 2 361.490 0.944 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000984904241 1190249553 /nfs/dbraw/zinc/24/95/53/1190249553.db2.gz VZMRUZFDOQJQCH-XHSDSOJGSA-N 2 2 363.462 0.018 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000984904241 1190249564 /nfs/dbraw/zinc/24/95/64/1190249564.db2.gz VZMRUZFDOQJQCH-XHSDSOJGSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001088042976 1190300768 /nfs/dbraw/zinc/30/07/68/1190300768.db2.gz RTLKTLAOEYTTCV-KFWWJZLASA-N 2 2 358.450 0.257 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001088042976 1190300774 /nfs/dbraw/zinc/30/07/74/1190300774.db2.gz RTLKTLAOEYTTCV-KFWWJZLASA-N 2 2 358.450 0.257 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)nn1 ZINC001088042992 1190301643 /nfs/dbraw/zinc/30/16/43/1190301643.db2.gz SOGHMNDYFUAQFR-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)nn1 ZINC001088042992 1190301649 /nfs/dbraw/zinc/30/16/49/1190301649.db2.gz SOGHMNDYFUAQFR-CVEARBPZSA-N 2 2 357.462 0.783 20 0 FCADLP C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001271198277 1190354932 /nfs/dbraw/zinc/35/49/32/1190354932.db2.gz MCQZHCXYLIXOOC-GOSISDBHSA-N 2 2 361.446 0.203 20 0 FCADLP CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090409 1190539069 /nfs/dbraw/zinc/53/90/69/1190539069.db2.gz MYGVYMNYUCODRK-SJORKVTESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090409 1190539072 /nfs/dbraw/zinc/53/90/72/1190539072.db2.gz MYGVYMNYUCODRK-SJORKVTESA-N 2 2 360.506 0.920 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)N1CCC1 ZINC001088102313 1190584925 /nfs/dbraw/zinc/58/49/25/1190584925.db2.gz ZJTLVVPCQJQZGE-PMPSAXMXSA-N 2 2 371.485 0.842 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C[C@@H]2C1)N1CCC1 ZINC001088102313 1190584930 /nfs/dbraw/zinc/58/49/30/1190584930.db2.gz ZJTLVVPCQJQZGE-PMPSAXMXSA-N 2 2 371.485 0.842 20 0 FCADLP Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105216 1190592711 /nfs/dbraw/zinc/59/27/11/1190592711.db2.gz YMVLLCHMBGTQNT-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105216 1190592721 /nfs/dbraw/zinc/59/27/21/1190592721.db2.gz YMVLLCHMBGTQNT-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cnnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105216 1190592727 /nfs/dbraw/zinc/59/27/27/1190592727.db2.gz YMVLLCHMBGTQNT-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP Cn1cnnc1C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105216 1190592738 /nfs/dbraw/zinc/59/27/38/1190592738.db2.gz YMVLLCHMBGTQNT-CVEARBPZSA-N 2 2 360.506 0.827 20 0 FCADLP CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106634 1190593700 /nfs/dbraw/zinc/59/37/00/1190593700.db2.gz KFSNEIOEZVBYGO-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106634 1190593701 /nfs/dbraw/zinc/59/37/01/1190593701.db2.gz KFSNEIOEZVBYGO-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106634 1190593702 /nfs/dbraw/zinc/59/37/02/1190593702.db2.gz KFSNEIOEZVBYGO-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP CCn1cc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@H](C)C4)C[C@@H]3C2)nn1 ZINC001088106634 1190593703 /nfs/dbraw/zinc/59/37/03/1190593703.db2.gz KFSNEIOEZVBYGO-BBWFWOEESA-N 2 2 360.506 0.920 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121370 1190616505 /nfs/dbraw/zinc/61/65/05/1190616505.db2.gz CCZFVFWIIOXQFQ-XHSDSOJGSA-N 2 2 359.474 0.649 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)CC[C@@H]2C1 ZINC001088121370 1190616507 /nfs/dbraw/zinc/61/65/07/1190616507.db2.gz CCZFVFWIIOXQFQ-XHSDSOJGSA-N 2 2 359.474 0.649 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088129037 1190628030 /nfs/dbraw/zinc/62/80/30/1190628030.db2.gz UIEARSLIXBFUJG-CVEARBPZSA-N 2 2 361.490 0.923 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088129037 1190628037 /nfs/dbraw/zinc/62/80/37/1190628037.db2.gz UIEARSLIXBFUJG-CVEARBPZSA-N 2 2 361.490 0.923 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001276756112 1224108271 /nfs/dbraw/zinc/10/82/71/1224108271.db2.gz IENRRNYFYXGBLF-LJQANCHMSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C(C)(C)N1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001276756112 1224108272 /nfs/dbraw/zinc/10/82/72/1224108272.db2.gz IENRRNYFYXGBLF-LJQANCHMSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+]1CCC([N@@H+]2CCC[C@]3(CC(=O)N(Cc4ncccn4)C3=O)C2)CC1 ZINC001276756678 1224109850 /nfs/dbraw/zinc/10/98/50/1224109850.db2.gz YMFAURGUSJYLOI-IBGZPJMESA-N 2 2 357.458 0.912 20 0 FCADLP C[NH+]1CCC([N@H+]2CCC[C@]3(CC(=O)N(Cc4ncccn4)C3=O)C2)CC1 ZINC001276756678 1224109852 /nfs/dbraw/zinc/10/98/52/1224109852.db2.gz YMFAURGUSJYLOI-IBGZPJMESA-N 2 2 357.458 0.912 20 0 FCADLP Cn1cnnc1C[N@@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276756905 1224113234 /nfs/dbraw/zinc/11/32/34/1224113234.db2.gz IPTJNSORIUGQBH-SFHVURJKSA-N 2 2 357.462 0.916 20 0 FCADLP Cn1cnnc1C[N@H+]1CCC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001276756905 1224113235 /nfs/dbraw/zinc/11/32/35/1224113235.db2.gz IPTJNSORIUGQBH-SFHVURJKSA-N 2 2 357.462 0.916 20 0 FCADLP C[C@H]1C[C@@H]([N@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168129001 1190869208 /nfs/dbraw/zinc/86/92/08/1190869208.db2.gz WDHYLGIEKDLFBG-HOCLYGCPSA-N 2 2 372.473 0.972 20 0 FCADLP C[C@H]1C[C@@H]([N@@H+]2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CCO1 ZINC001168129001 1190869210 /nfs/dbraw/zinc/86/92/10/1190869210.db2.gz WDHYLGIEKDLFBG-HOCLYGCPSA-N 2 2 372.473 0.972 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986191815 1190917542 /nfs/dbraw/zinc/91/75/42/1190917542.db2.gz YVCGPAWWIBYXLZ-WCXIOVBPSA-N 2 2 373.501 0.908 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986191815 1190917544 /nfs/dbraw/zinc/91/75/44/1190917544.db2.gz YVCGPAWWIBYXLZ-WCXIOVBPSA-N 2 2 373.501 0.908 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986280265 1190943788 /nfs/dbraw/zinc/94/37/88/1190943788.db2.gz OHZZELGWJZPFLY-CVEARBPZSA-N 2 2 371.485 0.745 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000986280265 1190943790 /nfs/dbraw/zinc/94/37/90/1190943790.db2.gz OHZZELGWJZPFLY-CVEARBPZSA-N 2 2 371.485 0.745 20 0 FCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)CC1 ZINC000986336819 1190952213 /nfs/dbraw/zinc/95/22/13/1190952213.db2.gz MALVVJMLLFMKMX-CVEARBPZSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986339420 1190960099 /nfs/dbraw/zinc/96/00/99/1190960099.db2.gz PFSSINXOMWXFBM-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000986339420 1190960101 /nfs/dbraw/zinc/96/01/01/1190960101.db2.gz PFSSINXOMWXFBM-IKGGRYGDSA-N 2 2 359.474 0.674 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986425938 1190987717 /nfs/dbraw/zinc/98/77/17/1190987717.db2.gz VFYVCAWTZRCIGF-CVEARBPZSA-N 2 2 371.485 0.745 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000986464658 1190996829 /nfs/dbraw/zinc/99/68/29/1190996829.db2.gz AFRLGDZIAWRJJK-CVEARBPZSA-N 2 2 370.457 0.773 20 0 FCADLP CC(C)[C@H](C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1)[NH+](C)C ZINC000986572662 1191040655 /nfs/dbraw/zinc/04/06/55/1191040655.db2.gz AAYMUFYYNANQPH-RVKKMQEKSA-N 2 2 361.490 0.845 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000986576027 1191043285 /nfs/dbraw/zinc/04/32/85/1191043285.db2.gz HFTBOJLAGLVBQE-IKGGRYGDSA-N 2 2 371.485 0.601 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)C1CC1 ZINC001075883059 1191064724 /nfs/dbraw/zinc/06/47/24/1191064724.db2.gz SPCKBEGRSKTZLW-BHYGNILZSA-N 2 2 371.485 0.914 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1)C1CC1 ZINC001075883059 1191064727 /nfs/dbraw/zinc/06/47/27/1191064727.db2.gz SPCKBEGRSKTZLW-BHYGNILZSA-N 2 2 371.485 0.914 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986686789 1191081269 /nfs/dbraw/zinc/08/12/69/1191081269.db2.gz WJAYLHLTBOZABU-BBWFWOEESA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000986686789 1191081273 /nfs/dbraw/zinc/08/12/73/1191081273.db2.gz WJAYLHLTBOZABU-BBWFWOEESA-N 2 2 359.474 0.674 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000988110380 1191150758 /nfs/dbraw/zinc/15/07/58/1191150758.db2.gz QOYMXFDMIFTZRE-MIGQKNRLSA-N 2 2 370.457 0.834 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000988155880 1191151663 /nfs/dbraw/zinc/15/16/63/1191151663.db2.gz BZILMIHWXLAXIQ-BRWVUGGUSA-N 2 2 361.490 0.920 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC000988155880 1191151665 /nfs/dbraw/zinc/15/16/65/1191151665.db2.gz BZILMIHWXLAXIQ-BRWVUGGUSA-N 2 2 361.490 0.920 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C)CC[N@@H+]1C ZINC000988336630 1191180671 /nfs/dbraw/zinc/18/06/71/1191180671.db2.gz RZNYDAUVOKGAPZ-BSWAZPDLSA-N 2 2 361.490 0.799 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C)CC[N@H+]1C ZINC000988336630 1191180674 /nfs/dbraw/zinc/18/06/74/1191180674.db2.gz RZNYDAUVOKGAPZ-BSWAZPDLSA-N 2 2 361.490 0.799 20 0 FCADLP COC(C)(C)CN1CC[C@]2(CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276764858 1224134259 /nfs/dbraw/zinc/13/42/59/1224134259.db2.gz YCORQGZWOYVLEJ-IBGZPJMESA-N 2 2 366.506 0.110 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109511 1224140763 /nfs/dbraw/zinc/14/07/63/1224140763.db2.gz QOZYKPUMSGGTEY-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109511 1224140765 /nfs/dbraw/zinc/14/07/65/1224140765.db2.gz QOZYKPUMSGGTEY-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218109511 1224140768 /nfs/dbraw/zinc/14/07/68/1224140768.db2.gz QOZYKPUMSGGTEY-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(CC)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001218109511 1224140771 /nfs/dbraw/zinc/14/07/71/1224140771.db2.gz QOZYKPUMSGGTEY-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001218128742 1224141601 /nfs/dbraw/zinc/14/16/01/1224141601.db2.gz AECDGGOYYDALHD-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001218128742 1224141604 /nfs/dbraw/zinc/14/16/04/1224141604.db2.gz AECDGGOYYDALHD-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001218128742 1224141606 /nfs/dbraw/zinc/14/16/06/1224141606.db2.gz AECDGGOYYDALHD-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001218128742 1224141609 /nfs/dbraw/zinc/14/16/09/1224141609.db2.gz AECDGGOYYDALHD-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001218339526 1224155137 /nfs/dbraw/zinc/15/51/37/1224155137.db2.gz BNPFSAVICSRKRO-GDPRMGEGSA-N 2 2 364.402 0.346 20 0 FCADLP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001218339526 1224155138 /nfs/dbraw/zinc/15/51/38/1224155138.db2.gz BNPFSAVICSRKRO-GDPRMGEGSA-N 2 2 364.402 0.346 20 0 FCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550668263 1193731493 /nfs/dbraw/zinc/73/14/93/1193731493.db2.gz MSJBPYMOGXDQMQ-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000550668263 1193731495 /nfs/dbraw/zinc/73/14/95/1193731495.db2.gz MSJBPYMOGXDQMQ-DLBZAZTESA-N 2 2 368.522 0.260 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000550754909 1193760583 /nfs/dbraw/zinc/76/05/83/1193760583.db2.gz RMFRVZYCYTUCJJ-MRXNPFEDSA-N 2 2 365.478 0.171 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758531 1193761587 /nfs/dbraw/zinc/76/15/87/1193761587.db2.gz VOHDGOLRWLNSBA-RDJZCZTQSA-N 2 2 368.522 0.448 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000550758531 1193761589 /nfs/dbraw/zinc/76/15/89/1193761589.db2.gz VOHDGOLRWLNSBA-RDJZCZTQSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C)C1 ZINC000990001716 1193778008 /nfs/dbraw/zinc/77/80/08/1193778008.db2.gz LVWZNAHDABEVAO-OAGGEKHMSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C)C1 ZINC000990001716 1193778010 /nfs/dbraw/zinc/77/80/10/1193778010.db2.gz LVWZNAHDABEVAO-OAGGEKHMSA-N 2 2 361.490 0.800 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001691621665 1193807422 /nfs/dbraw/zinc/80/74/22/1193807422.db2.gz XXTQMTBHBIHXBG-UXLLHSPISA-N 2 2 366.506 0.250 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001691621665 1193807424 /nfs/dbraw/zinc/80/74/24/1193807424.db2.gz XXTQMTBHBIHXBG-UXLLHSPISA-N 2 2 366.506 0.250 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000551028389 1193827897 /nfs/dbraw/zinc/82/78/97/1193827897.db2.gz VOCDBZHMXNLHID-UHFFFAOYSA-N 2 2 359.474 0.326 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105636621 1193843259 /nfs/dbraw/zinc/84/32/59/1193843259.db2.gz AGVGWRBFIYOHGL-ZAWLATJESA-N 2 2 364.490 0.955 20 0 FCADLP COCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105636621 1193843260 /nfs/dbraw/zinc/84/32/60/1193843260.db2.gz AGVGWRBFIYOHGL-ZAWLATJESA-N 2 2 364.490 0.955 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH]c[nH+]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636929 1193843283 /nfs/dbraw/zinc/84/32/83/1193843283.db2.gz GVUSGBQEYMPTSD-ZAWLATJESA-N 2 2 364.490 0.691 20 0 FCADLP CC(C)[C@@H]1N(C(=O)CCc2c[nH+]c[nH]2)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105636929 1193843285 /nfs/dbraw/zinc/84/32/85/1193843285.db2.gz GVUSGBQEYMPTSD-ZAWLATJESA-N 2 2 364.490 0.691 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557519 1224172947 /nfs/dbraw/zinc/17/29/47/1224172947.db2.gz AZTSNLSIKDUYLA-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557519 1224172952 /nfs/dbraw/zinc/17/29/52/1224172952.db2.gz AZTSNLSIKDUYLA-YESZJQIVSA-N 2 2 368.522 0.495 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000551657552 1193866703 /nfs/dbraw/zinc/86/67/03/1193866703.db2.gz IFJMDHQAYIWWPS-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001088750305 1193883305 /nfs/dbraw/zinc/88/33/05/1193883305.db2.gz GKYOZDZTFHOHFA-OAGGEKHMSA-N 2 2 363.462 0.018 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)[C@@H]1C ZINC001088750305 1193883307 /nfs/dbraw/zinc/88/33/07/1193883307.db2.gz GKYOZDZTFHOHFA-OAGGEKHMSA-N 2 2 363.462 0.018 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965745 1193885715 /nfs/dbraw/zinc/88/57/15/1193885715.db2.gz BQMDOUZTAZYWQP-LZLYRXPVSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965745 1193885718 /nfs/dbraw/zinc/88/57/18/1193885718.db2.gz BQMDOUZTAZYWQP-LZLYRXPVSA-N 2 2 368.485 0.954 20 0 FCADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@@H]21 ZINC001218581448 1224176961 /nfs/dbraw/zinc/17/69/61/1224176961.db2.gz GGILQSWTEJRRNH-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@@H]21 ZINC001218581448 1224176963 /nfs/dbraw/zinc/17/69/63/1224176963.db2.gz GGILQSWTEJRRNH-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083477714 1193924379 /nfs/dbraw/zinc/92/43/79/1193924379.db2.gz ADSJWNLDPLPPAO-UAGQMJEPSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083477714 1193924385 /nfs/dbraw/zinc/92/43/85/1193924385.db2.gz ADSJWNLDPLPPAO-UAGQMJEPSA-N 2 2 362.474 0.350 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000552537493 1193937712 /nfs/dbraw/zinc/93/77/12/1193937712.db2.gz FCEXKWQDZQWRBM-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP C[C@H](C[C@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000552646238 1193946423 /nfs/dbraw/zinc/94/64/23/1193946423.db2.gz IYZANVODGKSVEL-NVXWUHKLSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H](C[C@H]1CCCO1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552646238 1193946427 /nfs/dbraw/zinc/94/64/27/1193946427.db2.gz IYZANVODGKSVEL-NVXWUHKLSA-N 2 2 368.522 0.545 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218603190 1224180297 /nfs/dbraw/zinc/18/02/97/1224180297.db2.gz MMKQWQXMHDFXRB-OAHLLOKOSA-N 2 2 356.430 0.538 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000842194617 1194087412 /nfs/dbraw/zinc/08/74/12/1194087412.db2.gz QUZFQVZPUTUDNX-UHFFFAOYSA-N 2 2 373.501 0.835 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815286 1194107244 /nfs/dbraw/zinc/10/72/44/1194107244.db2.gz HSEJHIYEFHVVGG-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815286 1194107248 /nfs/dbraw/zinc/10/72/48/1194107248.db2.gz HSEJHIYEFHVVGG-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815286 1194107250 /nfs/dbraw/zinc/10/72/50/1194107250.db2.gz HSEJHIYEFHVVGG-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C)nn1C ZINC001088815286 1194107255 /nfs/dbraw/zinc/10/72/55/1194107255.db2.gz HSEJHIYEFHVVGG-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815310 1194107434 /nfs/dbraw/zinc/10/74/34/1194107434.db2.gz JGCOKGXAKGDGQV-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1nn(C)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815310 1194107440 /nfs/dbraw/zinc/10/74/40/1194107440.db2.gz JGCOKGXAKGDGQV-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815310 1194107444 /nfs/dbraw/zinc/10/74/44/1194107444.db2.gz JGCOKGXAKGDGQV-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815310 1194107449 /nfs/dbraw/zinc/10/74/49/1194107449.db2.gz JGCOKGXAKGDGQV-NJAFHUGGSA-N 2 2 363.506 0.917 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524248 1194157658 /nfs/dbraw/zinc/15/76/58/1194157658.db2.gz NSECRCSUPVHSBI-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524248 1194157661 /nfs/dbraw/zinc/15/76/61/1194157661.db2.gz NSECRCSUPVHSBI-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524248 1194157665 /nfs/dbraw/zinc/15/76/65/1194157665.db2.gz NSECRCSUPVHSBI-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083524248 1194157668 /nfs/dbraw/zinc/15/76/68/1194157668.db2.gz NSECRCSUPVHSBI-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029039 1194254031 /nfs/dbraw/zinc/25/40/31/1194254031.db2.gz DSNDCCBCFOGXTF-HEHGZKQESA-N 2 2 354.414 0.287 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001076049572 1194267018 /nfs/dbraw/zinc/26/70/18/1194267018.db2.gz HIPKAPZOTBBBLO-WMLDXEAASA-N 2 2 371.441 0.985 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001076049572 1194267022 /nfs/dbraw/zinc/26/70/22/1194267022.db2.gz HIPKAPZOTBBBLO-WMLDXEAASA-N 2 2 371.441 0.985 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076077910 1194290809 /nfs/dbraw/zinc/29/08/09/1194290809.db2.gz GVQREUPIKHXTRN-DLBZAZTESA-N 2 2 369.469 0.784 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076077910 1194290813 /nfs/dbraw/zinc/29/08/13/1194290813.db2.gz GVQREUPIKHXTRN-DLBZAZTESA-N 2 2 369.469 0.784 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001076081591 1194301611 /nfs/dbraw/zinc/30/16/11/1194301611.db2.gz ZEJBYXKOZJHUHX-JKSUJKDBSA-N 2 2 359.474 0.508 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174417 1194337632 /nfs/dbraw/zinc/33/76/32/1194337632.db2.gz LCGHPVOMVDGCJL-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174417 1194337638 /nfs/dbraw/zinc/33/76/38/1194337638.db2.gz LCGHPVOMVDGCJL-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174417 1194337640 /nfs/dbraw/zinc/33/76/40/1194337640.db2.gz LCGHPVOMVDGCJL-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)C1 ZINC001076174417 1194337643 /nfs/dbraw/zinc/33/76/43/1194337643.db2.gz LCGHPVOMVDGCJL-JQHSSLGASA-N 2 2 361.490 0.562 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)nn1 ZINC001076242581 1194370289 /nfs/dbraw/zinc/37/02/89/1194370289.db2.gz KIEWSOPZBXMLGU-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CC[C@H](C)C4)[C@@H]3C2)nn1 ZINC001076242581 1194370297 /nfs/dbraw/zinc/37/02/97/1194370297.db2.gz KIEWSOPZBXMLGU-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+]4CC[C@H](C)C4)[C@@H]3C2)nn1 ZINC001076242581 1194370302 /nfs/dbraw/zinc/37/03/02/1194370302.db2.gz KIEWSOPZBXMLGU-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+]4CC[C@H](C)C4)[C@@H]3C2)nn1 ZINC001076242581 1194370307 /nfs/dbraw/zinc/37/03/07/1194370307.db2.gz KIEWSOPZBXMLGU-YQQAZPJKSA-N 2 2 359.474 0.860 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303371 1194387030 /nfs/dbraw/zinc/38/70/30/1194387030.db2.gz SWGPZTBQDGUDFE-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001076303371 1194387035 /nfs/dbraw/zinc/38/70/35/1194387035.db2.gz SWGPZTBQDGUDFE-IXDOHACOSA-N 2 2 359.474 0.989 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406474 1194452582 /nfs/dbraw/zinc/45/25/82/1194452582.db2.gz MREVTTUIQCGZTJ-IAOVAPTHSA-N 2 2 368.441 0.678 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406474 1194452587 /nfs/dbraw/zinc/45/25/87/1194452587.db2.gz MREVTTUIQCGZTJ-IAOVAPTHSA-N 2 2 368.441 0.678 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504678 1194528995 /nfs/dbraw/zinc/52/89/95/1194528995.db2.gz LWTKUHDBHUGGBM-BHYGNILZSA-N 2 2 359.474 0.803 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]21 ZINC001076504678 1194529003 /nfs/dbraw/zinc/52/90/03/1194529003.db2.gz LWTKUHDBHUGGBM-BHYGNILZSA-N 2 2 359.474 0.803 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515578 1194532074 /nfs/dbraw/zinc/53/20/74/1194532074.db2.gz GPNLYTFLMYFAST-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076515578 1194532078 /nfs/dbraw/zinc/53/20/78/1194532078.db2.gz GPNLYTFLMYFAST-BHYGNILZSA-N 2 2 359.474 0.506 20 0 FCADLP Cc1cc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)ccc1N1CCOCC1 ZINC001218874973 1224244481 /nfs/dbraw/zinc/24/44/81/1224244481.db2.gz OCOOBHWDYBHUBF-QGZVFWFLSA-N 2 2 361.490 0.521 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218872884 1224244714 /nfs/dbraw/zinc/24/47/14/1224244714.db2.gz CDDHOVDAHUQVMI-SFHVURJKSA-N 3 2 372.473 0.043 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905620 1224253448 /nfs/dbraw/zinc/25/34/48/1224253448.db2.gz TVCGDFYDUKCUMC-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218905620 1224253454 /nfs/dbraw/zinc/25/34/54/1224253454.db2.gz TVCGDFYDUKCUMC-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218905620 1224253462 /nfs/dbraw/zinc/25/34/62/1224253462.db2.gz TVCGDFYDUKCUMC-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218905620 1224253473 /nfs/dbraw/zinc/25/34/73/1224253473.db2.gz TVCGDFYDUKCUMC-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1O ZINC001076812656 1195033944 /nfs/dbraw/zinc/03/39/44/1195033944.db2.gz OXLDQJNEIPNCFG-CEXWTWQISA-N 2 2 359.470 0.515 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001076811601 1195034546 /nfs/dbraw/zinc/03/45/46/1195034546.db2.gz RCALZJKWKYEGPL-FGTMMUONSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001076811601 1195034549 /nfs/dbraw/zinc/03/45/49/1195034549.db2.gz RCALZJKWKYEGPL-FGTMMUONSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076811601 1195034554 /nfs/dbraw/zinc/03/45/54/1195034554.db2.gz RCALZJKWKYEGPL-FGTMMUONSA-N 2 2 360.458 0.401 20 0 FCADLP CC(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001076811601 1195034556 /nfs/dbraw/zinc/03/45/56/1195034556.db2.gz RCALZJKWKYEGPL-FGTMMUONSA-N 2 2 360.458 0.401 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC001076812698 1195034854 /nfs/dbraw/zinc/03/48/54/1195034854.db2.gz QSBVPDKSPQZXFP-GUDVDZBRSA-N 2 2 354.454 0.990 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001218911861 1224256149 /nfs/dbraw/zinc/25/61/49/1224256149.db2.gz NOQOBCRTCMXEEU-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001218911861 1224256159 /nfs/dbraw/zinc/25/61/59/1224256159.db2.gz NOQOBCRTCMXEEU-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001218911861 1224256164 /nfs/dbraw/zinc/25/61/64/1224256164.db2.gz NOQOBCRTCMXEEU-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC001218911861 1224256169 /nfs/dbraw/zinc/25/61/69/1224256169.db2.gz NOQOBCRTCMXEEU-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834131 1195042516 /nfs/dbraw/zinc/04/25/16/1195042516.db2.gz FUADPXFZDPEJSI-KURKYZTESA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834131 1195042521 /nfs/dbraw/zinc/04/25/21/1195042521.db2.gz FUADPXFZDPEJSI-KURKYZTESA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834131 1195042525 /nfs/dbraw/zinc/04/25/25/1195042525.db2.gz FUADPXFZDPEJSI-KURKYZTESA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@H]2O)C1 ZINC001076834131 1195042531 /nfs/dbraw/zinc/04/25/31/1195042531.db2.gz FUADPXFZDPEJSI-KURKYZTESA-N 2 2 370.453 0.227 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835874 1195043345 /nfs/dbraw/zinc/04/33/45/1195043345.db2.gz OVPXJSQCFKYGPD-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835874 1195043349 /nfs/dbraw/zinc/04/33/49/1195043349.db2.gz OVPXJSQCFKYGPD-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835874 1195043353 /nfs/dbraw/zinc/04/33/53/1195043353.db2.gz OVPXJSQCFKYGPD-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]2O)C1 ZINC001076835874 1195043354 /nfs/dbraw/zinc/04/33/54/1195043354.db2.gz OVPXJSQCFKYGPD-VAMGGRTRSA-N 2 2 369.465 0.832 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838635 1195044297 /nfs/dbraw/zinc/04/42/97/1195044297.db2.gz FYKSYONMJXXYHE-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838635 1195044302 /nfs/dbraw/zinc/04/43/02/1195044302.db2.gz FYKSYONMJXXYHE-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838635 1195044304 /nfs/dbraw/zinc/04/43/04/1195044304.db2.gz FYKSYONMJXXYHE-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]2O)C1 ZINC001076838635 1195044310 /nfs/dbraw/zinc/04/43/10/1195044310.db2.gz FYKSYONMJXXYHE-QRVBRYPASA-N 2 2 359.470 0.556 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC4CCOCC4)C[C@H]3O)ccn12 ZINC001076996560 1195134156 /nfs/dbraw/zinc/13/41/56/1195134156.db2.gz CRBAQTZDPSWJCD-IAGOWNOFSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC4CCOCC4)C[C@H]3O)ccn12 ZINC001076996560 1195134166 /nfs/dbraw/zinc/13/41/66/1195134166.db2.gz CRBAQTZDPSWJCD-IAGOWNOFSA-N 2 2 358.442 0.844 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024843 1195155306 /nfs/dbraw/zinc/15/53/06/1195155306.db2.gz SLJQXOHNMYGBHZ-BASLNEPJSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077024843 1195155311 /nfs/dbraw/zinc/15/53/11/1195155311.db2.gz SLJQXOHNMYGBHZ-BASLNEPJSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077024843 1195155315 /nfs/dbraw/zinc/15/53/15/1195155315.db2.gz SLJQXOHNMYGBHZ-BASLNEPJSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077024843 1195155320 /nfs/dbraw/zinc/15/53/20/1195155320.db2.gz SLJQXOHNMYGBHZ-BASLNEPJSA-N 2 2 365.449 0.836 20 0 FCADLP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218931063 1224263567 /nfs/dbraw/zinc/26/35/67/1224263567.db2.gz KPZJGIVUQIAXGN-NSHDSACASA-N 2 2 374.376 0.741 20 0 FCADLP COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218933433 1224264056 /nfs/dbraw/zinc/26/40/56/1224264056.db2.gz WODLBIAZCABGND-SNVBAGLBSA-N 2 2 360.349 0.731 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001077127703 1195241408 /nfs/dbraw/zinc/24/14/08/1195241408.db2.gz GBTCIXVKLFDPMM-BRWVUGGUSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001077127703 1195241414 /nfs/dbraw/zinc/24/14/14/1195241414.db2.gz GBTCIXVKLFDPMM-BRWVUGGUSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077127703 1195241422 /nfs/dbraw/zinc/24/14/22/1195241422.db2.gz GBTCIXVKLFDPMM-BRWVUGGUSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)o1 ZINC001077127703 1195241426 /nfs/dbraw/zinc/24/14/26/1195241426.db2.gz GBTCIXVKLFDPMM-BRWVUGGUSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131734 1195248018 /nfs/dbraw/zinc/24/80/18/1195248018.db2.gz IXCJNWRMJUWDBB-KBAYOESNSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131734 1195248023 /nfs/dbraw/zinc/24/80/23/1195248023.db2.gz IXCJNWRMJUWDBB-KBAYOESNSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131734 1195248026 /nfs/dbraw/zinc/24/80/26/1195248026.db2.gz IXCJNWRMJUWDBB-KBAYOESNSA-N 2 2 361.490 0.709 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077131734 1195248030 /nfs/dbraw/zinc/24/80/30/1195248030.db2.gz IXCJNWRMJUWDBB-KBAYOESNSA-N 2 2 361.490 0.709 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077169738 1195291193 /nfs/dbraw/zinc/29/11/93/1195291193.db2.gz HZBLLUDUYHLTHD-JOCBIADPSA-N 2 2 362.474 0.881 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077169738 1195291200 /nfs/dbraw/zinc/29/12/00/1195291200.db2.gz HZBLLUDUYHLTHD-JOCBIADPSA-N 2 2 362.474 0.881 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219425 1195328873 /nfs/dbraw/zinc/32/88/73/1195328873.db2.gz QKGCKWNKPPYVER-IAGOWNOFSA-N 2 2 362.474 0.774 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219425 1195328876 /nfs/dbraw/zinc/32/88/76/1195328876.db2.gz QKGCKWNKPPYVER-IAGOWNOFSA-N 2 2 362.474 0.774 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC001218971302 1224274644 /nfs/dbraw/zinc/27/46/44/1224274644.db2.gz XMSGDBFUFMKXOV-ZWKOTPCHSA-N 2 2 365.449 0.816 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC001218971302 1224274651 /nfs/dbraw/zinc/27/46/51/1224274651.db2.gz XMSGDBFUFMKXOV-ZWKOTPCHSA-N 2 2 365.449 0.816 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251727 1195357756 /nfs/dbraw/zinc/35/77/56/1195357756.db2.gz MRNFZWICXJMNRS-QXAKKESOSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251727 1195357760 /nfs/dbraw/zinc/35/77/60/1195357760.db2.gz MRNFZWICXJMNRS-QXAKKESOSA-N 2 2 370.453 0.299 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001077299913 1195398456 /nfs/dbraw/zinc/39/84/56/1195398456.db2.gz SZSJEGGMOXVYFT-QZTJIDSGSA-N 2 2 359.470 0.985 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001077299913 1195398463 /nfs/dbraw/zinc/39/84/63/1195398463.db2.gz SZSJEGGMOXVYFT-QZTJIDSGSA-N 2 2 359.470 0.985 20 0 FCADLP CN(C)c1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573762 1195449120 /nfs/dbraw/zinc/44/91/20/1195449120.db2.gz UEKXMPCIQBXKJH-QRQLOZEOSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573762 1195449124 /nfs/dbraw/zinc/44/91/24/1195449124.db2.gz UEKXMPCIQBXKJH-QRQLOZEOSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573762 1195449129 /nfs/dbraw/zinc/44/91/29/1195449129.db2.gz UEKXMPCIQBXKJH-QRQLOZEOSA-N 2 2 360.502 0.898 20 0 FCADLP CN(C)c1ccccc1C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573762 1195449136 /nfs/dbraw/zinc/44/91/36/1195449136.db2.gz UEKXMPCIQBXKJH-QRQLOZEOSA-N 2 2 360.502 0.898 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219002900 1224283908 /nfs/dbraw/zinc/28/39/08/1224283908.db2.gz ISUKKPCCSJQPLM-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219002900 1224283915 /nfs/dbraw/zinc/28/39/15/1224283915.db2.gz ISUKKPCCSJQPLM-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219002900 1224283923 /nfs/dbraw/zinc/28/39/23/1224283923.db2.gz ISUKKPCCSJQPLM-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP CCC[NH+](C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001219002900 1224283929 /nfs/dbraw/zinc/28/39/29/1224283929.db2.gz ISUKKPCCSJQPLM-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001077392867 1195490901 /nfs/dbraw/zinc/49/09/01/1195490901.db2.gz VPTNKKYPTZIPJR-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)C[C@H]1O ZINC001077392867 1195490907 /nfs/dbraw/zinc/49/09/07/1195490907.db2.gz VPTNKKYPTZIPJR-BRWVUGGUSA-N 2 2 362.405 0.226 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219003046 1224283983 /nfs/dbraw/zinc/28/39/83/1224283983.db2.gz QNFOSARHOMZCRK-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219003046 1224283987 /nfs/dbraw/zinc/28/39/87/1224283987.db2.gz QNFOSARHOMZCRK-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219003046 1224283995 /nfs/dbraw/zinc/28/39/95/1224283995.db2.gz QNFOSARHOMZCRK-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]21 ZINC001219003046 1224283999 /nfs/dbraw/zinc/28/39/99/1224283999.db2.gz QNFOSARHOMZCRK-DLBZAZTESA-N 2 2 368.522 0.497 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@@H]21 ZINC001219004373 1224284305 /nfs/dbraw/zinc/28/43/05/1224284305.db2.gz HPWFNVFSXDOVBL-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](CCNC(=O)C3CC3)C[C@@H]21 ZINC001219004373 1224284313 /nfs/dbraw/zinc/28/43/13/1224284313.db2.gz HPWFNVFSXDOVBL-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@@H]21 ZINC001219004373 1224284323 /nfs/dbraw/zinc/28/43/23/1224284323.db2.gz HPWFNVFSXDOVBL-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP CCC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@@H]21 ZINC001219004373 1224284327 /nfs/dbraw/zinc/28/43/27/1224284327.db2.gz HPWFNVFSXDOVBL-DLBZAZTESA-N 2 2 366.506 0.156 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077399656 1195499229 /nfs/dbraw/zinc/49/92/29/1195499229.db2.gz UGRIOQMLHOMPMS-YXJHDRRASA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC001077399656 1195499233 /nfs/dbraw/zinc/49/92/33/1195499233.db2.gz UGRIOQMLHOMPMS-YXJHDRRASA-N 2 2 362.474 0.492 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580020 1195528762 /nfs/dbraw/zinc/52/87/62/1195528762.db2.gz MRNFZWICXJMNRS-QRQLOZEOSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580020 1195528763 /nfs/dbraw/zinc/52/87/63/1195528763.db2.gz MRNFZWICXJMNRS-QRQLOZEOSA-N 2 2 370.453 0.299 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[NH+]1CCN(C)CC1 ZINC000906644804 1195641970 /nfs/dbraw/zinc/64/19/70/1195641970.db2.gz PBTTWKQKBRTTML-QGZVFWFLSA-N 2 2 361.490 0.472 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725045 1195655941 /nfs/dbraw/zinc/65/59/41/1195655941.db2.gz ITWLAEBNYDVWPN-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000906725045 1195655942 /nfs/dbraw/zinc/65/59/42/1195655942.db2.gz ITWLAEBNYDVWPN-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c(C)n1 ZINC001083601970 1195656834 /nfs/dbraw/zinc/65/68/34/1195656834.db2.gz XEVGQRXKMHYJDH-MSOLQXFVSA-N 2 2 358.486 0.988 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)c(C)n1 ZINC001083601970 1195656837 /nfs/dbraw/zinc/65/68/37/1195656837.db2.gz XEVGQRXKMHYJDH-MSOLQXFVSA-N 2 2 358.486 0.988 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000906917156 1195672411 /nfs/dbraw/zinc/67/24/11/1195672411.db2.gz GERPCERIQMVMSQ-UHFFFAOYSA-N 2 2 360.506 0.672 20 0 FCADLP Cc1cc(N2CCC(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)nc(C)[nH+]1 ZINC000906917156 1195672413 /nfs/dbraw/zinc/67/24/13/1195672413.db2.gz GERPCERIQMVMSQ-UHFFFAOYSA-N 2 2 360.506 0.672 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587858 1195702953 /nfs/dbraw/zinc/70/29/53/1195702953.db2.gz LLTYHLUVXBSHDY-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587858 1195702961 /nfs/dbraw/zinc/70/29/61/1195702961.db2.gz LLTYHLUVXBSHDY-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587858 1195702963 /nfs/dbraw/zinc/70/29/63/1195702963.db2.gz LLTYHLUVXBSHDY-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907587858 1195702969 /nfs/dbraw/zinc/70/29/69/1195702969.db2.gz LLTYHLUVXBSHDY-JKSUJKDBSA-N 2 2 369.506 0.565 20 0 FCADLP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168372521 1195781059 /nfs/dbraw/zinc/78/10/59/1195781059.db2.gz ZGFWNRHITFCJKV-SFHVURJKSA-N 2 2 374.485 0.369 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000910289176 1195811327 /nfs/dbraw/zinc/81/13/27/1195811327.db2.gz QCYUNKGNOXMICG-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000910289176 1195811330 /nfs/dbraw/zinc/81/13/30/1195811330.db2.gz QCYUNKGNOXMICG-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC[N@H+](C)C1 ZINC000910412759 1195814502 /nfs/dbraw/zinc/81/45/02/1195814502.db2.gz CKQYVMRNLVFQQQ-QGZVFWFLSA-N 2 2 368.522 0.356 20 0 FCADLP COC(=O)[C@H]1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC[N@@H+](C)C1 ZINC000910412759 1195814506 /nfs/dbraw/zinc/81/45/06/1195814506.db2.gz CKQYVMRNLVFQQQ-QGZVFWFLSA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033594 1224305533 /nfs/dbraw/zinc/30/55/33/1224305533.db2.gz QVICKOKPTDRBDT-FGTMMUONSA-N 2 2 369.506 0.291 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033594 1224305537 /nfs/dbraw/zinc/30/55/37/1224305537.db2.gz QVICKOKPTDRBDT-FGTMMUONSA-N 2 2 369.506 0.291 20 0 FCADLP CN(C(=O)C(=O)N1CCn2cccc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000910614362 1195823939 /nfs/dbraw/zinc/82/39/39/1195823939.db2.gz VVEFOQUOSOGWQO-KRWDZBQOSA-N 2 2 373.501 0.457 20 0 FCADLP CN(C(=O)C(=O)N1CCn2cccc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000910614362 1195823940 /nfs/dbraw/zinc/82/39/40/1195823940.db2.gz VVEFOQUOSOGWQO-KRWDZBQOSA-N 2 2 373.501 0.457 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000911030684 1195880602 /nfs/dbraw/zinc/88/06/02/1195880602.db2.gz ZOQALYJRABFUIP-CYBMUJFWSA-N 2 2 359.405 0.825 20 0 FCADLP [NH3+]CC1(c2ccccc2)CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000911248590 1195922730 /nfs/dbraw/zinc/92/27/30/1195922730.db2.gz YNNXGGXKFCFFHK-UHFFFAOYSA-N 2 2 369.469 0.909 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044511 1224314303 /nfs/dbraw/zinc/31/43/03/1224314303.db2.gz XFBBIZQRIFQLBU-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044511 1224314308 /nfs/dbraw/zinc/31/43/08/1224314308.db2.gz XFBBIZQRIFQLBU-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044511 1224314317 /nfs/dbraw/zinc/31/43/17/1224314317.db2.gz XFBBIZQRIFQLBU-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCC4CC4)C[C@@H]32)C1 ZINC001219044511 1224314320 /nfs/dbraw/zinc/31/43/20/1224314320.db2.gz XFBBIZQRIFQLBU-RCCFBDPRSA-N 2 2 367.490 0.045 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1)N1CCC1 ZINC001219049727 1224319292 /nfs/dbraw/zinc/31/92/92/1224319292.db2.gz VTNCADPLIBWZNA-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP O=C(C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1)N1CCC1 ZINC001219049727 1224319305 /nfs/dbraw/zinc/31/93/05/1224319305.db2.gz VTNCADPLIBWZNA-DLBZAZTESA-N 2 2 364.490 0.006 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052160 1224321421 /nfs/dbraw/zinc/32/14/21/1224321421.db2.gz ITNPRCIOMGONLD-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052160 1224321432 /nfs/dbraw/zinc/32/14/32/1224321432.db2.gz ITNPRCIOMGONLD-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363824 1196324915 /nfs/dbraw/zinc/32/49/15/1196324915.db2.gz ZDPRCPPUHNPJJZ-IIVZCXTMSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2cnnn2C)CC3)O1 ZINC000991363824 1196324922 /nfs/dbraw/zinc/32/49/22/1196324922.db2.gz ZDPRCPPUHNPJJZ-IIVZCXTMSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cnnn2C)CC3)O1 ZINC000991363824 1196324928 /nfs/dbraw/zinc/32/49/28/1196324928.db2.gz ZDPRCPPUHNPJJZ-IIVZCXTMSA-N 2 2 362.478 0.147 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cnnn2C)CC3)O1 ZINC000991363824 1196324930 /nfs/dbraw/zinc/32/49/30/1196324930.db2.gz ZDPRCPPUHNPJJZ-IIVZCXTMSA-N 2 2 362.478 0.147 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CN(C)CC[NH+](C)C2)cc1 ZINC000913000060 1196386818 /nfs/dbraw/zinc/38/68/18/1196386818.db2.gz CBIWLYIZGAYHFK-SFHVURJKSA-N 2 2 360.502 0.879 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CN(C)CC[NH+](C)C2)cc1 ZINC000913000060 1196386819 /nfs/dbraw/zinc/38/68/19/1196386819.db2.gz CBIWLYIZGAYHFK-SFHVURJKSA-N 2 2 360.502 0.879 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C2CN(C)CC[N@H+](C)C2)cc1 ZINC000913000060 1196386825 /nfs/dbraw/zinc/38/68/25/1196386825.db2.gz CBIWLYIZGAYHFK-SFHVURJKSA-N 2 2 360.502 0.879 20 0 FCADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C2CN(C)CC[N@@H+](C)C2)cc1 ZINC000913000060 1196386828 /nfs/dbraw/zinc/38/68/28/1196386828.db2.gz CBIWLYIZGAYHFK-SFHVURJKSA-N 2 2 360.502 0.879 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC001077444122 1196406617 /nfs/dbraw/zinc/40/66/17/1196406617.db2.gz LNABAWGADYNIDM-NUJGCVRESA-N 2 2 362.474 0.827 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC001077444122 1196406635 /nfs/dbraw/zinc/40/66/35/1196406635.db2.gz LNABAWGADYNIDM-NUJGCVRESA-N 2 2 362.474 0.827 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC2)cc[nH+]1 ZINC000592562041 1196569397 /nfs/dbraw/zinc/56/93/97/1196569397.db2.gz LHPFGSUZYKVUFN-CQSZACIVSA-N 2 2 355.446 0.780 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCN1CCCC1=O ZINC001088985661 1196857093 /nfs/dbraw/zinc/85/70/93/1196857093.db2.gz MDEYLAZVORQQPP-ZBFHGGJFSA-N 2 2 359.474 0.963 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCN1CCCC1=O ZINC001088985661 1196857094 /nfs/dbraw/zinc/85/70/94/1196857094.db2.gz MDEYLAZVORQQPP-ZBFHGGJFSA-N 2 2 359.474 0.963 20 0 FCADLP Cc1nc(N[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001089092236 1196896430 /nfs/dbraw/zinc/89/64/30/1196896430.db2.gz HEESDEYBLIAHEE-CABCVRRESA-N 2 2 370.461 0.582 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@@H+]1C ZINC000992393496 1197086592 /nfs/dbraw/zinc/08/65/92/1197086592.db2.gz SGUNNZXATDISED-SQWLQELKSA-N 2 2 359.474 0.887 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@H+]1C ZINC000992393496 1197086595 /nfs/dbraw/zinc/08/65/95/1197086595.db2.gz SGUNNZXATDISED-SQWLQELKSA-N 2 2 359.474 0.887 20 0 FCADLP Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](CO)n4cc[nH+]c4)C3)C2)n(C)n1 ZINC001272466711 1197100508 /nfs/dbraw/zinc/10/05/08/1197100508.db2.gz GZCIDGAZCZNMDM-MRXNPFEDSA-N 2 2 358.446 0.193 20 0 FCADLP Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H](CO)n4cc[nH+]c4)C3)C2)n(C)n1 ZINC001272466711 1197100514 /nfs/dbraw/zinc/10/05/14/1197100514.db2.gz GZCIDGAZCZNMDM-MRXNPFEDSA-N 2 2 358.446 0.193 20 0 FCADLP C[NH+](C)CC1(O)CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000913680456 1197106622 /nfs/dbraw/zinc/10/66/22/1197106622.db2.gz PXYVIAVHVXWLQI-UHFFFAOYSA-N 2 2 361.490 0.119 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000913736557 1197120148 /nfs/dbraw/zinc/12/01/48/1197120148.db2.gz RRUUTERLZDBTDS-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000913736557 1197120152 /nfs/dbraw/zinc/12/01/52/1197120152.db2.gz RRUUTERLZDBTDS-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000913736557 1197120160 /nfs/dbraw/zinc/12/01/60/1197120160.db2.gz RRUUTERLZDBTDS-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000913736557 1197120165 /nfs/dbraw/zinc/12/01/65/1197120165.db2.gz RRUUTERLZDBTDS-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC000992939692 1197620206 /nfs/dbraw/zinc/62/02/06/1197620206.db2.gz IBPIRMNMOXFJIE-CLCXKQKWSA-N 2 2 359.474 0.519 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC000992939692 1197620210 /nfs/dbraw/zinc/62/02/10/1197620210.db2.gz IBPIRMNMOXFJIE-CLCXKQKWSA-N 2 2 359.474 0.519 20 0 FCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@]3(C)C2)CCC1 ZINC000993031044 1197696989 /nfs/dbraw/zinc/69/69/89/1197696989.db2.gz GLTIOLNZYIGENN-KDOFPFPSSA-N 2 2 359.474 0.743 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1)[NH+](C)C ZINC000993045901 1197734888 /nfs/dbraw/zinc/73/48/88/1197734888.db2.gz DZFASKRRWHTUJV-URLQWDBASA-N 2 2 361.490 0.989 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001085242195 1197739886 /nfs/dbraw/zinc/73/98/86/1197739886.db2.gz HHHLUIPVSAJPGW-OAGGEKHMSA-N 2 2 360.458 0.928 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742920 /nfs/dbraw/zinc/74/29/20/1197742920.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742928 /nfs/dbraw/zinc/74/29/28/1197742928.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742932 /nfs/dbraw/zinc/74/29/32/1197742932.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 3 2 365.522 0.317 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC000734275041 1197742942 /nfs/dbraw/zinc/74/29/42/1197742942.db2.gz OHAAEGOCVQFKOQ-JQHSSLGASA-N 3 2 365.522 0.317 20 0 FCADLP COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277098 1197744063 /nfs/dbraw/zinc/74/40/63/1197744063.db2.gz XSEZHLOQMZZRJJ-LSDHHAIUSA-N 2 2 367.494 0.685 20 0 FCADLP COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000734277098 1197744067 /nfs/dbraw/zinc/74/40/67/1197744067.db2.gz XSEZHLOQMZZRJJ-LSDHHAIUSA-N 2 2 367.494 0.685 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085250171 1197747423 /nfs/dbraw/zinc/74/74/23/1197747423.db2.gz IXNBPIAEYCROLC-FVQBIDKESA-N 2 2 357.462 0.791 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C[NH+](C)C)on2)nn1 ZINC001085252886 1197752152 /nfs/dbraw/zinc/75/21/52/1197752152.db2.gz LZKWRLJIIHQCHF-HUUCEWRRSA-N 2 2 361.450 0.696 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723318 1197752122 /nfs/dbraw/zinc/75/21/22/1197752122.db2.gz FGLIJXXWBAEWPJ-IKGGRYGDSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723318 1197752135 /nfs/dbraw/zinc/75/21/35/1197752135.db2.gz FGLIJXXWBAEWPJ-IKGGRYGDSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723318 1197752144 /nfs/dbraw/zinc/75/21/44/1197752144.db2.gz FGLIJXXWBAEWPJ-IKGGRYGDSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723318 1197752153 /nfs/dbraw/zinc/75/21/53/1197752153.db2.gz FGLIJXXWBAEWPJ-IKGGRYGDSA-N 2 2 366.462 0.062 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC001085275104 1197783075 /nfs/dbraw/zinc/78/30/75/1197783075.db2.gz OOCDSILXNOSOHH-HUUCEWRRSA-N 2 2 358.450 0.730 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993079574 1197805291 /nfs/dbraw/zinc/80/52/91/1197805291.db2.gz CPYFUUXWYRRRJA-FCEWJHQRSA-N 2 2 359.474 0.532 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@]3(C)C2)C1 ZINC000993079574 1197805294 /nfs/dbraw/zinc/80/52/94/1197805294.db2.gz CPYFUUXWYRRRJA-FCEWJHQRSA-N 2 2 359.474 0.532 20 0 FCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)C1 ZINC001085306885 1197808879 /nfs/dbraw/zinc/80/88/79/1197808879.db2.gz VNSAIJZUZMXLHS-ARFHVFGLSA-N 2 2 363.510 0.849 20 0 FCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnn(C)n2)C1 ZINC001085306885 1197808881 /nfs/dbraw/zinc/80/88/81/1197808881.db2.gz VNSAIJZUZMXLHS-ARFHVFGLSA-N 2 2 363.510 0.849 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106278473 1197817140 /nfs/dbraw/zinc/81/71/40/1197817140.db2.gz DMKKEORHVIZIKS-KBUPBQIOSA-N 2 2 373.457 0.346 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106278473 1197817143 /nfs/dbraw/zinc/81/71/43/1197817143.db2.gz DMKKEORHVIZIKS-KBUPBQIOSA-N 2 2 373.457 0.346 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993095791 1197820767 /nfs/dbraw/zinc/82/07/67/1197820767.db2.gz BFLZDNTZVUSYFC-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993095791 1197820775 /nfs/dbraw/zinc/82/07/75/1197820775.db2.gz BFLZDNTZVUSYFC-MDZRGWNJSA-N 2 2 359.474 0.674 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200815 1197837980 /nfs/dbraw/zinc/83/79/80/1197837980.db2.gz ABTLZVSQEVLETG-HZPDHXFCSA-N 2 2 360.462 0.671 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200815 1197837984 /nfs/dbraw/zinc/83/79/84/1197837984.db2.gz ABTLZVSQEVLETG-HZPDHXFCSA-N 2 2 360.462 0.671 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727911 1197847196 /nfs/dbraw/zinc/84/71/96/1197847196.db2.gz WRCAYRSANCICBQ-SDNTUTLCSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727911 1197847199 /nfs/dbraw/zinc/84/71/99/1197847199.db2.gz WRCAYRSANCICBQ-SDNTUTLCSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727911 1197847203 /nfs/dbraw/zinc/84/72/03/1197847203.db2.gz WRCAYRSANCICBQ-SDNTUTLCSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727911 1197847206 /nfs/dbraw/zinc/84/72/06/1197847206.db2.gz WRCAYRSANCICBQ-SDNTUTLCSA-N 2 2 364.490 0.937 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085382446 1197854365 /nfs/dbraw/zinc/85/43/65/1197854365.db2.gz BCEJXYQXHXJBIK-BZUAXINKSA-N 2 2 368.441 0.786 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106339859 1197869918 /nfs/dbraw/zinc/86/99/18/1197869918.db2.gz CMMFWTJGZMPEMD-QLFBSQMISA-N 2 2 359.474 0.408 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)C2 ZINC001106343309 1197872065 /nfs/dbraw/zinc/87/20/65/1197872065.db2.gz YJPGHDCZGBUTQY-FVQBIDKESA-N 2 2 371.489 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]CCn3cncn3)[C@H](C)C1)CC2 ZINC001106343309 1197872071 /nfs/dbraw/zinc/87/20/71/1197872071.db2.gz YJPGHDCZGBUTQY-FVQBIDKESA-N 2 2 371.489 0.799 20 0 FCADLP C[C@@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993153722 1197893138 /nfs/dbraw/zinc/89/31/38/1197893138.db2.gz BWOXDBWDLWZTSO-BEFAXECRSA-N 2 2 371.485 0.745 20 0 FCADLP C[C@@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993153722 1197893139 /nfs/dbraw/zinc/89/31/39/1197893139.db2.gz BWOXDBWDLWZTSO-BEFAXECRSA-N 2 2 371.485 0.745 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)n1 ZINC001085429583 1197896301 /nfs/dbraw/zinc/89/63/01/1197896301.db2.gz XYOYCSROHDKCMJ-ZACQAIPSSA-N 2 2 364.494 0.536 20 0 FCADLP CCn1ncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)n1 ZINC001085429583 1197896308 /nfs/dbraw/zinc/89/63/08/1197896308.db2.gz XYOYCSROHDKCMJ-ZACQAIPSSA-N 2 2 364.494 0.536 20 0 FCADLP C[C@@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993156967 1197899650 /nfs/dbraw/zinc/89/96/50/1197899650.db2.gz PNCXDNZEQPHGJP-KDOFPFPSSA-N 2 2 357.458 0.355 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106419428 1197913178 /nfs/dbraw/zinc/91/31/78/1197913178.db2.gz KNXRZVXZGXIINV-HUUCEWRRSA-N 2 2 355.442 0.864 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832542 1198021441 /nfs/dbraw/zinc/02/14/41/1198021441.db2.gz JONSOSFHFGUBOH-KSZLIROESA-N 2 2 358.486 0.611 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001085832542 1198021448 /nfs/dbraw/zinc/02/14/48/1198021448.db2.gz JONSOSFHFGUBOH-KSZLIROESA-N 2 2 358.486 0.611 20 0 FCADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832542 1198021458 /nfs/dbraw/zinc/02/14/58/1198021458.db2.gz JONSOSFHFGUBOH-KSZLIROESA-N 2 2 358.486 0.611 20 0 FCADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832542 1198021464 /nfs/dbraw/zinc/02/14/64/1198021464.db2.gz JONSOSFHFGUBOH-KSZLIROESA-N 2 2 358.486 0.611 20 0 FCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1c[nH+]cn1C ZINC001273385909 1198086550 /nfs/dbraw/zinc/08/65/50/1198086550.db2.gz VXIYTUBZXKLAKX-ZACQAIPSSA-N 2 2 359.474 0.995 20 0 FCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1c[nH+]cn1C ZINC001273385909 1198086564 /nfs/dbraw/zinc/08/65/64/1198086564.db2.gz VXIYTUBZXKLAKX-ZACQAIPSSA-N 2 2 359.474 0.995 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086112072 1198174292 /nfs/dbraw/zinc/17/42/92/1198174292.db2.gz QFQODRSFPBXAAQ-XPABHHOTSA-N 2 2 355.446 0.777 20 0 FCADLP O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086112072 1198174295 /nfs/dbraw/zinc/17/42/95/1198174295.db2.gz QFQODRSFPBXAAQ-XPABHHOTSA-N 2 2 355.446 0.777 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120342 1198178577 /nfs/dbraw/zinc/17/85/77/1198178577.db2.gz VVRXJJQXTLMUMD-QKGCVVFFSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120342 1198178595 /nfs/dbraw/zinc/17/85/95/1198178595.db2.gz VVRXJJQXTLMUMD-QKGCVVFFSA-N 2 2 365.478 0.897 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@]1(C)COCC[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504669 1224490933 /nfs/dbraw/zinc/49/09/33/1224490933.db2.gz WASCSTWCWJQHAQ-ROUUACIJSA-N 2 2 360.414 0.195 20 0 FCADLP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)c1ccccc1 ZINC001219550956 1224506681 /nfs/dbraw/zinc/50/66/81/1224506681.db2.gz MIVDYCXVNRRJHF-IKGGRYGDSA-N 2 2 358.442 0.891 20 0 FCADLP CO[C@@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1)c1ccccc1 ZINC001219550956 1224506690 /nfs/dbraw/zinc/50/66/90/1224506690.db2.gz MIVDYCXVNRRJHF-IKGGRYGDSA-N 2 2 358.442 0.891 20 0 FCADLP NC1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]CC1 ZINC001219568083 1224512402 /nfs/dbraw/zinc/51/24/02/1224512402.db2.gz YNTAVZCXNKCAKS-UHFFFAOYSA-N 2 2 362.474 0.095 20 0 FCADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219568043 1224512702 /nfs/dbraw/zinc/51/27/02/1224512702.db2.gz XCHIQHGMALUXIU-MSOLQXFVSA-N 2 2 365.449 0.961 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCc1cncc(C(F)(F)F)c1 ZINC001219575175 1224514406 /nfs/dbraw/zinc/51/44/06/1224514406.db2.gz CJGNREYEQVWIOI-OAHLLOKOSA-N 2 2 373.423 0.900 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006323977 1198980728 /nfs/dbraw/zinc/98/07/28/1198980728.db2.gz BTVFTTOEOOVHIB-NWANDNLSSA-N 2 2 357.458 0.572 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006323977 1198980738 /nfs/dbraw/zinc/98/07/38/1198980738.db2.gz BTVFTTOEOOVHIB-NWANDNLSSA-N 2 2 357.458 0.572 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133544 1199048593 /nfs/dbraw/zinc/04/85/93/1199048593.db2.gz HIMOXXBIVNHNHJ-ZSXDVEMLSA-N 3 2 364.534 0.723 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133544 1199048602 /nfs/dbraw/zinc/04/86/02/1199048602.db2.gz HIMOXXBIVNHNHJ-ZSXDVEMLSA-N 3 2 364.534 0.723 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133544 1199048606 /nfs/dbraw/zinc/04/86/06/1199048606.db2.gz HIMOXXBIVNHNHJ-ZSXDVEMLSA-N 3 2 364.534 0.723 20 0 FCADLP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2C1 ZINC001169133544 1199048613 /nfs/dbraw/zinc/04/86/13/1199048613.db2.gz HIMOXXBIVNHNHJ-ZSXDVEMLSA-N 3 2 364.534 0.723 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728705 1224581159 /nfs/dbraw/zinc/58/11/59/1224581159.db2.gz FIIKVIJMNIPWBO-FHWLQOOXSA-N 4 2 371.529 0.294 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)C1 ZINC001219728705 1224581164 /nfs/dbraw/zinc/58/11/64/1224581164.db2.gz FIIKVIJMNIPWBO-FHWLQOOXSA-N 4 2 371.529 0.294 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462244 1200302491 /nfs/dbraw/zinc/30/24/91/1200302491.db2.gz HBJLGTWQHKFLGJ-LMSBXDPUSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462244 1200302500 /nfs/dbraw/zinc/30/25/00/1200302500.db2.gz HBJLGTWQHKFLGJ-LMSBXDPUSA-N 2 2 362.474 0.830 20 0 FCADLP O=C(NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001109463067 1200303513 /nfs/dbraw/zinc/30/35/13/1200303513.db2.gz XINSBXJODDBASZ-LMSBXDPUSA-N 2 2 371.485 0.693 20 0 FCADLP O=C(NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2)C1CC1 ZINC001109463067 1200303517 /nfs/dbraw/zinc/30/35/17/1200303517.db2.gz XINSBXJODDBASZ-LMSBXDPUSA-N 2 2 371.485 0.693 20 0 FCADLP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001109461111 1200306458 /nfs/dbraw/zinc/30/64/58/1200306458.db2.gz ORTVWOJRFQHPHS-MVJTYMMSSA-N 2 2 362.474 0.830 20 0 FCADLP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001109461111 1200306468 /nfs/dbraw/zinc/30/64/68/1200306468.db2.gz ORTVWOJRFQHPHS-MVJTYMMSSA-N 2 2 362.474 0.830 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520142 1200357785 /nfs/dbraw/zinc/35/77/85/1200357785.db2.gz KTXUDWXOPIZOPP-FDEJFUCISA-N 2 2 370.413 0.253 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520142 1200357792 /nfs/dbraw/zinc/35/77/92/1200357792.db2.gz KTXUDWXOPIZOPP-FDEJFUCISA-N 2 2 370.413 0.253 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O ZINC001109547338 1200372968 /nfs/dbraw/zinc/37/29/68/1200372968.db2.gz VVNYUNVGJRMXRD-PMPSAXMXSA-N 2 2 359.474 0.697 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001109547338 1200372978 /nfs/dbraw/zinc/37/29/78/1200372978.db2.gz VVNYUNVGJRMXRD-PMPSAXMXSA-N 2 2 359.474 0.697 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)n1 ZINC001109580258 1200402059 /nfs/dbraw/zinc/40/20/59/1200402059.db2.gz KNPUQDOITZLYNB-IKGGRYGDSA-N 2 2 357.462 0.903 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCn2cc[nH+]c2)C3)n1 ZINC001109580258 1200402063 /nfs/dbraw/zinc/40/20/63/1200402063.db2.gz KNPUQDOITZLYNB-IKGGRYGDSA-N 2 2 357.462 0.903 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724090 1200481492 /nfs/dbraw/zinc/48/14/92/1200481492.db2.gz AQSSGDQULYIFAG-CRWXNKLISA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724090 1200481498 /nfs/dbraw/zinc/48/14/98/1200481498.db2.gz AQSSGDQULYIFAG-CRWXNKLISA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724090 1200481503 /nfs/dbraw/zinc/48/15/03/1200481503.db2.gz AQSSGDQULYIFAG-CRWXNKLISA-N 2 2 365.478 0.023 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724090 1200481507 /nfs/dbraw/zinc/48/15/07/1200481507.db2.gz AQSSGDQULYIFAG-CRWXNKLISA-N 2 2 365.478 0.023 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001219799907 1224619340 /nfs/dbraw/zinc/61/93/40/1224619340.db2.gz BYZXMBMGIQXCFB-KURKYZTESA-N 2 2 357.458 0.175 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001219799907 1224619348 /nfs/dbraw/zinc/61/93/48/1224619348.db2.gz BYZXMBMGIQXCFB-KURKYZTESA-N 2 2 357.458 0.175 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001109928266 1200615042 /nfs/dbraw/zinc/61/50/42/1200615042.db2.gz OFXWTOUNTACTPS-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1cccnc1 ZINC001109928266 1200615045 /nfs/dbraw/zinc/61/50/45/1200615045.db2.gz OFXWTOUNTACTPS-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001109928266 1200615048 /nfs/dbraw/zinc/61/50/48/1200615048.db2.gz OFXWTOUNTACTPS-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001109928266 1200615050 /nfs/dbraw/zinc/61/50/50/1200615050.db2.gz OFXWTOUNTACTPS-SQNIBIBYSA-N 2 2 373.501 0.761 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109928270 1200615545 /nfs/dbraw/zinc/61/55/45/1200615545.db2.gz OHZIIMWZOHWKCU-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109928270 1200615554 /nfs/dbraw/zinc/61/55/54/1200615554.db2.gz OHZIIMWZOHWKCU-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109928270 1200615568 /nfs/dbraw/zinc/61/55/68/1200615568.db2.gz OHZIIMWZOHWKCU-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109928270 1200615578 /nfs/dbraw/zinc/61/55/78/1200615578.db2.gz OHZIIMWZOHWKCU-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)CCC1 ZINC001219802630 1224623126 /nfs/dbraw/zinc/62/31/26/1224623126.db2.gz XVQHVFOGGXHJQQ-ILXRZTDVSA-N 2 2 366.506 0.031 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)CCC1 ZINC001219802630 1224623129 /nfs/dbraw/zinc/62/31/29/1224623129.db2.gz XVQHVFOGGXHJQQ-ILXRZTDVSA-N 2 2 366.506 0.031 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975737 1200656754 /nfs/dbraw/zinc/65/67/54/1200656754.db2.gz BGXZWYVICNASBT-BGTYHANMSA-N 2 2 364.490 0.718 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975737 1200656757 /nfs/dbraw/zinc/65/67/57/1200656757.db2.gz BGXZWYVICNASBT-BGTYHANMSA-N 2 2 364.490 0.718 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001109976201 1200657714 /nfs/dbraw/zinc/65/77/14/1200657714.db2.gz WQEWRHRCYOEMGC-BGTYHANMSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001109976201 1200657720 /nfs/dbraw/zinc/65/77/20/1200657720.db2.gz WQEWRHRCYOEMGC-BGTYHANMSA-N 2 2 362.474 0.880 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975837 1200658489 /nfs/dbraw/zinc/65/84/89/1200658489.db2.gz GYHDBTNZTKCLJA-FSDCSDTHSA-N 2 2 361.490 0.939 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975837 1200658492 /nfs/dbraw/zinc/65/84/92/1200658492.db2.gz GYHDBTNZTKCLJA-FSDCSDTHSA-N 2 2 361.490 0.939 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001109982683 1200675727 /nfs/dbraw/zinc/67/57/27/1200675727.db2.gz NWUWVBOODKOBTJ-ORQFMDKSSA-N 2 2 360.502 0.718 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)C1CC1 ZINC001109982683 1200675731 /nfs/dbraw/zinc/67/57/31/1200675731.db2.gz NWUWVBOODKOBTJ-ORQFMDKSSA-N 2 2 360.502 0.718 20 0 FCADLP CN(C(=O)C1(F)CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000772034848 1200691150 /nfs/dbraw/zinc/69/11/50/1200691150.db2.gz DBIUQTFUBCKOGD-UHFFFAOYSA-N 2 2 368.497 0.966 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110016283 1200704800 /nfs/dbraw/zinc/70/48/00/1200704800.db2.gz GYRKVVRGCQREAM-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110016283 1200704812 /nfs/dbraw/zinc/70/48/12/1200704812.db2.gz GYRKVVRGCQREAM-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110016283 1200704818 /nfs/dbraw/zinc/70/48/18/1200704818.db2.gz GYRKVVRGCQREAM-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110016283 1200704823 /nfs/dbraw/zinc/70/48/23/1200704823.db2.gz GYRKVVRGCQREAM-QZWWFDLISA-N 2 2 366.506 0.345 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001110016379 1200704986 /nfs/dbraw/zinc/70/49/86/1200704986.db2.gz KYOWUOIBSLQQGI-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NCc1ccco1 ZINC001110016379 1200704990 /nfs/dbraw/zinc/70/49/90/1200704990.db2.gz KYOWUOIBSLQQGI-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001110016379 1200705004 /nfs/dbraw/zinc/70/50/04/1200705004.db2.gz KYOWUOIBSLQQGI-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001110016379 1200705019 /nfs/dbraw/zinc/70/50/19/1200705019.db2.gz KYOWUOIBSLQQGI-PVAVHDDUSA-N 2 2 362.474 0.959 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112552225 1200779939 /nfs/dbraw/zinc/77/99/39/1200779939.db2.gz NHTBZZQTAQWMSF-KXBFYZLASA-N 2 2 359.474 0.793 20 0 FCADLP NC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001112562292 1200794766 /nfs/dbraw/zinc/79/47/66/1200794766.db2.gz QKCITWCSKXWHCA-LIRRHRJNSA-N 2 2 368.441 0.585 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N2CCC2)C1 ZINC001112563199 1200796002 /nfs/dbraw/zinc/79/60/02/1200796002.db2.gz KTUXRLKOZYDWTJ-KXBFYZLASA-N 2 2 359.474 0.413 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816069 1224632040 /nfs/dbraw/zinc/63/20/40/1224632040.db2.gz XLAIJSQJIJUATH-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219816069 1224632045 /nfs/dbraw/zinc/63/20/45/1224632045.db2.gz XLAIJSQJIJUATH-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816069 1224632061 /nfs/dbraw/zinc/63/20/61/1224632061.db2.gz XLAIJSQJIJUATH-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816069 1224632067 /nfs/dbraw/zinc/63/20/67/1224632067.db2.gz XLAIJSQJIJUATH-BMFZPTHFSA-N 2 2 368.522 0.325 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)c1cccnc1 ZINC001112586671 1200822581 /nfs/dbraw/zinc/82/25/81/1200822581.db2.gz KPPOQKXMMQDBCR-WDYCEAGBSA-N 2 2 359.474 0.388 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2CCCC2=O)C1 ZINC001112590725 1200830164 /nfs/dbraw/zinc/83/01/64/1200830164.db2.gz NHBRWWBNCUYNPY-LPHOPBHVSA-N 2 2 359.474 0.724 20 0 FCADLP Cc1[nH+]ccn1CCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787001649 1200859301 /nfs/dbraw/zinc/85/93/01/1200859301.db2.gz SZGXLCOZXZSBDN-INIZCTEOSA-N 2 2 364.446 0.448 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1)C1CC1 ZINC001219830527 1224642342 /nfs/dbraw/zinc/64/23/42/1224642342.db2.gz ZEWVVABPZGUPGY-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1)C1CC1 ZINC001219830527 1224642346 /nfs/dbraw/zinc/64/23/46/1224642346.db2.gz ZEWVVABPZGUPGY-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1)C1CC1 ZINC001219830527 1224642351 /nfs/dbraw/zinc/64/23/51/1224642351.db2.gz ZEWVVABPZGUPGY-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1)C1CC1 ZINC001219830527 1224642355 /nfs/dbraw/zinc/64/23/55/1224642355.db2.gz ZEWVVABPZGUPGY-UAGQMJEPSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)(C)OC(=O)N1CC[NH+](CCN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000788483564 1200961985 /nfs/dbraw/zinc/96/19/85/1200961985.db2.gz SPDKOGLPGGWVFL-UHFFFAOYSA-N 2 2 370.538 0.928 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578969 1201022505 /nfs/dbraw/zinc/02/25/05/1201022505.db2.gz HFPCTIAGWRLYAW-OTWHNJEPSA-N 2 2 370.497 0.943 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578969 1201022512 /nfs/dbraw/zinc/02/25/12/1201022512.db2.gz HFPCTIAGWRLYAW-OTWHNJEPSA-N 2 2 370.497 0.943 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578969 1201022519 /nfs/dbraw/zinc/02/25/19/1201022519.db2.gz HFPCTIAGWRLYAW-OTWHNJEPSA-N 2 2 370.497 0.943 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1c1ccccc1 ZINC001086578969 1201022526 /nfs/dbraw/zinc/02/25/26/1201022526.db2.gz HFPCTIAGWRLYAW-OTWHNJEPSA-N 2 2 370.497 0.943 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599527 1201147296 /nfs/dbraw/zinc/14/72/96/1201147296.db2.gz UWIXYCODDHMOTK-DLBZAZTESA-N 2 2 355.442 0.522 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599527 1201147297 /nfs/dbraw/zinc/14/72/97/1201147297.db2.gz UWIXYCODDHMOTK-DLBZAZTESA-N 2 2 355.442 0.522 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1O ZINC001090473369 1201227897 /nfs/dbraw/zinc/22/78/97/1201227897.db2.gz KHWWYUZRRBMHSK-IAGOWNOFSA-N 2 2 361.490 0.671 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1O ZINC001090473369 1201227900 /nfs/dbraw/zinc/22/79/00/1201227900.db2.gz KHWWYUZRRBMHSK-IAGOWNOFSA-N 2 2 361.490 0.671 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001086623880 1201356917 /nfs/dbraw/zinc/35/69/17/1201356917.db2.gz BSSZNUFZQXVJPL-ZWKOTPCHSA-N 2 2 369.469 0.864 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001086623880 1201356921 /nfs/dbraw/zinc/35/69/21/1201356921.db2.gz BSSZNUFZQXVJPL-ZWKOTPCHSA-N 2 2 369.469 0.864 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879285 1224668038 /nfs/dbraw/zinc/66/80/38/1224668038.db2.gz IEKYYAXJDJSAMG-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879285 1224668052 /nfs/dbraw/zinc/66/80/52/1224668052.db2.gz IEKYYAXJDJSAMG-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879285 1224668058 /nfs/dbraw/zinc/66/80/58/1224668058.db2.gz IEKYYAXJDJSAMG-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1O ZINC001219879285 1224668064 /nfs/dbraw/zinc/66/80/64/1224668064.db2.gz IEKYYAXJDJSAMG-QRVBRYPASA-N 2 2 361.486 0.849 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896693 1224672539 /nfs/dbraw/zinc/67/25/39/1224672539.db2.gz DSKPTRNKHNWOSN-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896693 1224672543 /nfs/dbraw/zinc/67/25/43/1224672543.db2.gz DSKPTRNKHNWOSN-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896693 1224672544 /nfs/dbraw/zinc/67/25/44/1224672544.db2.gz DSKPTRNKHNWOSN-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@@H]1O ZINC001219896693 1224672548 /nfs/dbraw/zinc/67/25/48/1224672548.db2.gz DSKPTRNKHNWOSN-IMJJTQAJSA-N 2 2 368.522 0.325 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896712 1224672935 /nfs/dbraw/zinc/67/29/35/1224672935.db2.gz GAAFMOOKQWUYBC-ZNMIVQPWSA-N 2 2 370.538 0.571 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896712 1224672938 /nfs/dbraw/zinc/67/29/38/1224672938.db2.gz GAAFMOOKQWUYBC-ZNMIVQPWSA-N 2 2 370.538 0.571 20 0 FCADLP Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC001129900288 1201432750 /nfs/dbraw/zinc/43/27/50/1201432750.db2.gz DYIRUOFUPBREDX-HUUCEWRRSA-N 2 2 359.430 0.779 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896712 1224672942 /nfs/dbraw/zinc/67/29/42/1224672942.db2.gz GAAFMOOKQWUYBC-ZNMIVQPWSA-N 2 2 370.538 0.571 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001219896712 1224672946 /nfs/dbraw/zinc/67/29/46/1224672946.db2.gz GAAFMOOKQWUYBC-ZNMIVQPWSA-N 2 2 370.538 0.571 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129919479 1201441816 /nfs/dbraw/zinc/44/18/16/1201441816.db2.gz XTWQFPRIKKLGFP-OAGGEKHMSA-N 2 2 357.462 0.879 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896902 1224674396 /nfs/dbraw/zinc/67/43/96/1224674396.db2.gz OFZZRKNXISALHZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896902 1224674399 /nfs/dbraw/zinc/67/43/99/1224674399.db2.gz OFZZRKNXISALHZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896902 1224674403 /nfs/dbraw/zinc/67/44/03/1224674403.db2.gz OFZZRKNXISALHZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCCCC2)C[C@@H]1O ZINC001219896902 1224674407 /nfs/dbraw/zinc/67/44/07/1224674407.db2.gz OFZZRKNXISALHZ-XHSDSOJGSA-N 2 2 368.522 0.279 20 0 FCADLP [NH3+]C1(C(=O)NC[C@@H]2Cn3nnc(-c4cccc(F)c4)c3CO2)CC[NH2+]CC1 ZINC001219901058 1224674751 /nfs/dbraw/zinc/67/47/51/1224674751.db2.gz BVWPHTSJWQLCNZ-CQSZACIVSA-N 2 2 374.420 0.180 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001219903247 1224676538 /nfs/dbraw/zinc/67/65/38/1224676538.db2.gz WGQQAMVOCLSRSF-SJORKVTESA-N 2 2 367.465 0.710 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001219903247 1224676540 /nfs/dbraw/zinc/67/65/40/1224676540.db2.gz WGQQAMVOCLSRSF-SJORKVTESA-N 2 2 367.465 0.710 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001219903247 1224676543 /nfs/dbraw/zinc/67/65/43/1224676543.db2.gz WGQQAMVOCLSRSF-SJORKVTESA-N 2 2 367.465 0.710 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001219903247 1224676545 /nfs/dbraw/zinc/67/65/45/1224676545.db2.gz WGQQAMVOCLSRSF-SJORKVTESA-N 2 2 367.465 0.710 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)[C@@H](n2ccnn2)C1 ZINC001130081201 1201492283 /nfs/dbraw/zinc/49/22/83/1201492283.db2.gz CORDAGVKXVFDBC-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)[C@@H](n2ccnn2)C1 ZINC001130081201 1201492286 /nfs/dbraw/zinc/49/22/86/1201492286.db2.gz CORDAGVKXVFDBC-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919630 1224680227 /nfs/dbraw/zinc/68/02/27/1224680227.db2.gz GTYHENRCUNLNRM-MSOLQXFVSA-N 2 2 370.457 0.368 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919630 1224680231 /nfs/dbraw/zinc/68/02/31/1224680231.db2.gz GTYHENRCUNLNRM-MSOLQXFVSA-N 2 2 370.457 0.368 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130222945 1201552142 /nfs/dbraw/zinc/55/21/42/1201552142.db2.gz JGDHTMWCNSUZOY-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130222945 1201552146 /nfs/dbraw/zinc/55/21/46/1201552146.db2.gz JGDHTMWCNSUZOY-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130222945 1201552150 /nfs/dbraw/zinc/55/21/50/1201552150.db2.gz JGDHTMWCNSUZOY-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130222945 1201552154 /nfs/dbraw/zinc/55/21/54/1201552154.db2.gz JGDHTMWCNSUZOY-IHRRRGAJSA-N 2 2 368.457 0.337 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](C(=O)NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001219931102 1224687569 /nfs/dbraw/zinc/68/75/69/1224687569.db2.gz LTRIQOVFFSFAGV-HOCLYGCPSA-N 2 2 360.458 0.706 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949477 1224695803 /nfs/dbraw/zinc/69/58/03/1224695803.db2.gz GIOYTUCFSTZVNS-OAGGEKHMSA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949477 1224695806 /nfs/dbraw/zinc/69/58/06/1224695806.db2.gz GIOYTUCFSTZVNS-OAGGEKHMSA-N 2 2 359.430 0.153 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)C[NH2+]1 ZINC001219965570 1224704728 /nfs/dbraw/zinc/70/47/28/1224704728.db2.gz SCKSMAHPAYYOAV-IVMMDQJWSA-N 2 2 359.426 0.089 20 0 FCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999269 1224722750 /nfs/dbraw/zinc/72/27/50/1224722750.db2.gz OLUCFBRJPLBNJO-OALUTQOASA-N 3 2 359.518 0.690 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2[NH2+]CCCO)c1 ZINC001130626958 1202736008 /nfs/dbraw/zinc/73/60/08/1202736008.db2.gz VTYQFQZRAVSEJZ-GOEBONIOSA-N 2 2 368.441 0.648 20 0 FCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1)OC ZINC001130685442 1202753741 /nfs/dbraw/zinc/75/37/41/1202753741.db2.gz TXGWUOAUJNSHBR-YQQAZPJKSA-N 2 2 360.462 0.695 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130719205 1202765548 /nfs/dbraw/zinc/76/55/48/1202765548.db2.gz CSJVATMUSFOLJX-WMLDXEAASA-N 2 2 360.462 0.615 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220070419 1224744097 /nfs/dbraw/zinc/74/40/97/1224744097.db2.gz OLPTUMLOQUQKIL-SJORKVTESA-N 2 2 363.506 0.594 20 0 FCADLP C[N@H+](CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073698 1224746464 /nfs/dbraw/zinc/74/64/64/1224746464.db2.gz IUYOYPLMDWZRFR-IKGGRYGDSA-N 2 2 366.506 0.081 20 0 FCADLP C[N@@H+](CCC(=O)N[C@@H]1C[NH+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073698 1224746472 /nfs/dbraw/zinc/74/64/72/1224746472.db2.gz IUYOYPLMDWZRFR-IKGGRYGDSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073698 1224746476 /nfs/dbraw/zinc/74/64/76/1224746476.db2.gz IUYOYPLMDWZRFR-IKGGRYGDSA-N 2 2 366.506 0.081 20 0 FCADLP C[NH+](CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O)C1CCCCC1 ZINC001220073698 1224746479 /nfs/dbraw/zinc/74/64/79/1224746479.db2.gz IUYOYPLMDWZRFR-IKGGRYGDSA-N 2 2 366.506 0.081 20 0 FCADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2c2cncn2C)nc1 ZINC001131062100 1202854270 /nfs/dbraw/zinc/85/42/70/1202854270.db2.gz VVEMWPGWEBIPFK-HZPDHXFCSA-N 2 2 371.489 0.554 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001131079015 1202859765 /nfs/dbraw/zinc/85/97/65/1202859765.db2.gz AFJLLIJWIMERAW-HZPDHXFCSA-N 2 2 360.462 0.697 20 0 FCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001131130474 1202868966 /nfs/dbraw/zinc/86/89/66/1202868966.db2.gz OQYDEPWSUQNCNQ-HZPDHXFCSA-N 2 2 360.462 0.626 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)no1 ZINC001086659936 1202873004 /nfs/dbraw/zinc/87/30/04/1202873004.db2.gz QYZCLMBGGIJTHE-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP COCCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)no1 ZINC001086659936 1202873007 /nfs/dbraw/zinc/87/30/07/1202873007.db2.gz QYZCLMBGGIJTHE-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC001086664170 1202881184 /nfs/dbraw/zinc/88/11/84/1202881184.db2.gz AZDNDYRVAQKOMA-CFVMTHIKSA-N 2 2 363.462 0.652 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC001086664170 1202881187 /nfs/dbraw/zinc/88/11/87/1202881187.db2.gz AZDNDYRVAQKOMA-CFVMTHIKSA-N 2 2 363.462 0.652 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001131533536 1202910550 /nfs/dbraw/zinc/91/05/50/1202910550.db2.gz KJHZHDSYOBKDFX-APWZRJJASA-N 2 2 364.490 0.985 20 0 FCADLP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001131594727 1202919184 /nfs/dbraw/zinc/91/91/84/1202919184.db2.gz BFPYRDFPZWSWAV-MJGOQNOKSA-N 2 2 364.490 0.985 20 0 FCADLP O=C(NCC[NH2+]CC[C@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613621 1202921518 /nfs/dbraw/zinc/92/15/18/1202921518.db2.gz IIJDHJSLYAWXBF-KURKYZTESA-N 2 2 369.506 0.531 20 0 FCADLP CO[C@@H](C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CCC1 ZINC001131613674 1202921654 /nfs/dbraw/zinc/92/16/54/1202921654.db2.gz JVYAOHAWBOKBAO-SQNIBIBYSA-N 2 2 369.506 0.387 20 0 FCADLP Cn1cc(-c2cc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)on2)cn1 ZINC001134049402 1203011289 /nfs/dbraw/zinc/01/12/89/1203011289.db2.gz FXXHZSUZEKADNH-HUUCEWRRSA-N 2 2 369.429 0.818 20 0 FCADLP Cn1ncnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736170 1203062054 /nfs/dbraw/zinc/06/20/54/1203062054.db2.gz FLEBEMCLPJTVJS-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP O=C(C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1)N1CCC1 ZINC001086737755 1203062289 /nfs/dbraw/zinc/06/22/89/1203062289.db2.gz WDCBVGSWRUUDQE-HRCADAONSA-N 2 2 359.474 0.552 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737751 1203062326 /nfs/dbraw/zinc/06/23/26/1203062326.db2.gz WCNRJFKDTJPLEL-SOUVJXGZSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001086736602 1203062592 /nfs/dbraw/zinc/06/25/92/1203062592.db2.gz WKDGQYSRXZCSDQ-RRFJBIMHSA-N 2 2 357.462 0.649 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086806559 1203107395 /nfs/dbraw/zinc/10/73/95/1203107395.db2.gz ANRDEGHFOOEERL-REWJHTLYSA-N 2 2 373.461 0.020 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001086806852 1203108230 /nfs/dbraw/zinc/10/82/30/1203108230.db2.gz RYUDOEZNTVSUNY-SJXGUFTOSA-N 2 2 357.462 0.727 20 0 FCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000819837833 1203172080 /nfs/dbraw/zinc/17/20/80/1203172080.db2.gz SOFHOHPLAPQOBP-IEBWSBKVSA-N 2 2 361.486 0.757 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296595 1203182791 /nfs/dbraw/zinc/18/27/91/1203182791.db2.gz WGWPABCXCDKGNR-LSDHHAIUSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000820296595 1203182795 /nfs/dbraw/zinc/18/27/95/1203182795.db2.gz WGWPABCXCDKGNR-LSDHHAIUSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000820296595 1203182796 /nfs/dbraw/zinc/18/27/96/1203182796.db2.gz WGWPABCXCDKGNR-LSDHHAIUSA-N 2 2 361.490 0.496 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc[nH]c2CC(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000820296595 1203182800 /nfs/dbraw/zinc/18/28/00/1203182800.db2.gz WGWPABCXCDKGNR-LSDHHAIUSA-N 2 2 361.490 0.496 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107353 1203275516 /nfs/dbraw/zinc/27/55/16/1203275516.db2.gz FAMNRARWEREJQQ-YVSFHVDLSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107353 1203275521 /nfs/dbraw/zinc/27/55/21/1203275521.db2.gz FAMNRARWEREJQQ-YVSFHVDLSA-N 2 2 366.506 0.155 20 0 FCADLP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])Cc2cncn2C)c1 ZINC001220121009 1224777221 /nfs/dbraw/zinc/77/72/21/1224777221.db2.gz YXOKTFGMRYNZQS-AWEZNQCLSA-N 2 2 372.429 0.702 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1C ZINC001090759857 1203291377 /nfs/dbraw/zinc/29/13/77/1203291377.db2.gz JFRKXNRWBJDUGZ-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1C ZINC001090759857 1203291380 /nfs/dbraw/zinc/29/13/80/1203291380.db2.gz JFRKXNRWBJDUGZ-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001090759857 1203291383 /nfs/dbraw/zinc/29/13/83/1203291383.db2.gz JFRKXNRWBJDUGZ-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001090759857 1203291387 /nfs/dbraw/zinc/29/13/87/1203291387.db2.gz JFRKXNRWBJDUGZ-RHSMWYFYSA-N 2 2 360.506 0.747 20 0 FCADLP Cc1cc(N2C[C@@H](C)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)nc(C)[nH+]1 ZINC001090788439 1203302110 /nfs/dbraw/zinc/30/21/10/1203302110.db2.gz RQZSJJPNEBHYTJ-XYPHTWIQSA-N 2 2 371.489 0.861 20 0 FCADLP CN(C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C1CCCCC1 ZINC001220238375 1224812885 /nfs/dbraw/zinc/81/28/85/1224812885.db2.gz TUYCITOHKLGQDM-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CN(C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)C1CCCCC1 ZINC001220238375 1224812886 /nfs/dbraw/zinc/81/28/86/1224812886.db2.gz TUYCITOHKLGQDM-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220238384 1224813193 /nfs/dbraw/zinc/81/31/93/1224813193.db2.gz UHOQQDPIVGBXPM-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@@H]1O ZINC001220238384 1224813198 /nfs/dbraw/zinc/81/31/98/1224813198.db2.gz UHOQQDPIVGBXPM-CABCVRRESA-N 2 2 363.462 0.063 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220292133 1224821696 /nfs/dbraw/zinc/82/16/96/1224821696.db2.gz ZZPJDLPECPLXRL-ZSZQSSIHSA-N 2 2 355.442 0.155 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220292133 1224821701 /nfs/dbraw/zinc/82/17/01/1224821701.db2.gz ZZPJDLPECPLXRL-ZSZQSSIHSA-N 2 2 355.442 0.155 20 0 FCADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000844222261 1204379278 /nfs/dbraw/zinc/37/92/78/1204379278.db2.gz BOJGUAYEEVNLMG-CALCHBBNSA-N 2 2 374.460 0.828 20 0 FCADLP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000844222261 1204379282 /nfs/dbraw/zinc/37/92/82/1204379282.db2.gz BOJGUAYEEVNLMG-CALCHBBNSA-N 2 2 374.460 0.828 20 0 FCADLP O=C(CN1CC[C@@]2(CCC[NH2+]2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000844225445 1204380535 /nfs/dbraw/zinc/38/05/35/1204380535.db2.gz AQKQUMZODAIVAP-NRFANRHFSA-N 2 2 372.513 0.963 20 0 FCADLP O=C(CN1CC[C@]2(CCC[NH2+]2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000844225446 1204380711 /nfs/dbraw/zinc/38/07/11/1204380711.db2.gz AQKQUMZODAIVAP-OAQYLSRUSA-N 2 2 372.513 0.963 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000845038628 1204460085 /nfs/dbraw/zinc/46/00/85/1204460085.db2.gz ZOHIDAMXTLGOQO-SFHVURJKSA-N 2 2 370.538 0.955 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000845038628 1204460088 /nfs/dbraw/zinc/46/00/88/1204460088.db2.gz ZOHIDAMXTLGOQO-SFHVURJKSA-N 2 2 370.538 0.955 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845207068 1204481864 /nfs/dbraw/zinc/48/18/64/1204481864.db2.gz SMFQWMOBTUVJRD-LSDHHAIUSA-N 2 2 372.510 0.668 20 0 FCADLP CCn1nc(C)c(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091096851 1204513943 /nfs/dbraw/zinc/51/39/43/1204513943.db2.gz BDHSUPHQCUKBKN-IGHZYHEGSA-N 2 2 364.494 0.310 20 0 FCADLP CCn1nc(C)c(C[NH2+]C2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001091096851 1204513953 /nfs/dbraw/zinc/51/39/53/1204513953.db2.gz BDHSUPHQCUKBKN-IGHZYHEGSA-N 2 2 364.494 0.310 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359757 1224843126 /nfs/dbraw/zinc/84/31/26/1224843126.db2.gz XJHQNBKSHHWLBG-XHSDSOJGSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359757 1224843129 /nfs/dbraw/zinc/84/31/29/1224843129.db2.gz XJHQNBKSHHWLBG-XHSDSOJGSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359757 1224843134 /nfs/dbraw/zinc/84/31/34/1224843134.db2.gz XJHQNBKSHHWLBG-XHSDSOJGSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359757 1224843137 /nfs/dbraw/zinc/84/31/37/1224843137.db2.gz XJHQNBKSHHWLBG-XHSDSOJGSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369673 1224845989 /nfs/dbraw/zinc/84/59/89/1224845989.db2.gz MZCUSLJBUWFMFL-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369673 1224845991 /nfs/dbraw/zinc/84/59/91/1224845991.db2.gz MZCUSLJBUWFMFL-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369673 1224845993 /nfs/dbraw/zinc/84/59/93/1224845993.db2.gz MZCUSLJBUWFMFL-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C2)C1=O ZINC001220369673 1224845998 /nfs/dbraw/zinc/84/59/98/1224845998.db2.gz MZCUSLJBUWFMFL-OAGGEKHMSA-N 2 2 368.522 0.135 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369778 1224846601 /nfs/dbraw/zinc/84/66/01/1224846601.db2.gz QOWORJHKOGXXOO-XHSDSOJGSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369778 1224846604 /nfs/dbraw/zinc/84/66/04/1224846604.db2.gz QOWORJHKOGXXOO-XHSDSOJGSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369778 1224846608 /nfs/dbraw/zinc/84/66/08/1224846608.db2.gz QOWORJHKOGXXOO-XHSDSOJGSA-N 2 2 370.538 0.381 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369778 1224846612 /nfs/dbraw/zinc/84/66/12/1224846612.db2.gz QOWORJHKOGXXOO-XHSDSOJGSA-N 2 2 370.538 0.381 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565723 1204727824 /nfs/dbraw/zinc/72/78/24/1204727824.db2.gz WMXLCMMMPVQUDW-SUMDDJOVSA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565723 1204727827 /nfs/dbraw/zinc/72/78/27/1204727827.db2.gz WMXLCMMMPVQUDW-SUMDDJOVSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565723 1204727834 /nfs/dbraw/zinc/72/78/34/1204727834.db2.gz WMXLCMMMPVQUDW-SUMDDJOVSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565723 1204727840 /nfs/dbraw/zinc/72/78/40/1204727840.db2.gz WMXLCMMMPVQUDW-SUMDDJOVSA-N 2 2 362.449 0.832 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565766 1204727884 /nfs/dbraw/zinc/72/78/84/1204727884.db2.gz YKCFWJPIHCNXQT-XUWXXGDYSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565766 1204727887 /nfs/dbraw/zinc/72/78/87/1204727887.db2.gz YKCFWJPIHCNXQT-XUWXXGDYSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565766 1204727890 /nfs/dbraw/zinc/72/78/90/1204727890.db2.gz YKCFWJPIHCNXQT-XUWXXGDYSA-N 2 2 364.446 0.294 20 0 FCADLP COc1cc(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)on1 ZINC001091565766 1204727895 /nfs/dbraw/zinc/72/78/95/1204727895.db2.gz YKCFWJPIHCNXQT-XUWXXGDYSA-N 2 2 364.446 0.294 20 0 FCADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1O ZINC001220373027 1224847412 /nfs/dbraw/zinc/84/74/12/1224847412.db2.gz WOXJTBRINODFRI-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH+](Cc2ccccn2)C[C@@H]1O ZINC001220373027 1224847419 /nfs/dbraw/zinc/84/74/19/1224847419.db2.gz WOXJTBRINODFRI-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001220373027 1224847421 /nfs/dbraw/zinc/84/74/21/1224847421.db2.gz WOXJTBRINODFRI-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001220373027 1224847424 /nfs/dbraw/zinc/84/74/24/1224847424.db2.gz WOXJTBRINODFRI-UXHICEINSA-N 2 2 368.481 0.917 20 0 FCADLP CC[NH+]1CCC(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001146779841 1204741274 /nfs/dbraw/zinc/74/12/74/1204741274.db2.gz PMTYCMJKDZBZBR-UHFFFAOYSA-N 2 2 357.462 0.987 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001220380259 1224850388 /nfs/dbraw/zinc/85/03/88/1224850388.db2.gz WEVSPSLDBWELES-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O)[NH+](C)C ZINC001220380259 1224850390 /nfs/dbraw/zinc/85/03/90/1224850390.db2.gz WEVSPSLDBWELES-IKGGRYGDSA-N 2 2 368.522 0.281 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632668 1204785983 /nfs/dbraw/zinc/78/59/83/1204785983.db2.gz CYXJMLXPMUILEK-KDOFPFPSSA-N 2 2 357.462 0.934 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632668 1204785992 /nfs/dbraw/zinc/78/59/92/1204785992.db2.gz CYXJMLXPMUILEK-KDOFPFPSSA-N 2 2 357.462 0.934 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC)C[C@@]2(C)C1 ZINC001091684314 1204821714 /nfs/dbraw/zinc/82/17/14/1204821714.db2.gz AZPGWJJPTGHYCW-CLCXKQKWSA-N 2 2 361.490 0.923 20 0 FCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC)C[C@@]2(C)C1 ZINC001091684314 1204821717 /nfs/dbraw/zinc/82/17/17/1204821717.db2.gz AZPGWJJPTGHYCW-CLCXKQKWSA-N 2 2 361.490 0.923 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001091686388 1204822324 /nfs/dbraw/zinc/82/23/24/1204822324.db2.gz FTSCQWXVSFTHIW-XZKMEQPCSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[N@H+]1C ZINC001091686388 1204822327 /nfs/dbraw/zinc/82/23/27/1204822327.db2.gz FTSCQWXVSFTHIW-XZKMEQPCSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686388 1204822329 /nfs/dbraw/zinc/82/23/29/1204822329.db2.gz FTSCQWXVSFTHIW-XZKMEQPCSA-N 2 2 360.506 0.826 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@]3(C)C2)CC[NH+]1C ZINC001091686388 1204822331 /nfs/dbraw/zinc/82/23/31/1204822331.db2.gz FTSCQWXVSFTHIW-XZKMEQPCSA-N 2 2 360.506 0.826 20 0 FCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716189 1204831263 /nfs/dbraw/zinc/83/12/63/1204831263.db2.gz MZHGAVWTOHVMFD-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716189 1204831267 /nfs/dbraw/zinc/83/12/67/1204831267.db2.gz MZHGAVWTOHVMFD-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001091716189 1204831268 /nfs/dbraw/zinc/83/12/68/1204831268.db2.gz MZHGAVWTOHVMFD-RKVPGOIHSA-N 2 2 361.494 0.365 20 0 FCADLP NC(=[NH2+])Nc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC001148642496 1204837168 /nfs/dbraw/zinc/83/71/68/1204837168.db2.gz GJNUTEKPMXCZQW-UHFFFAOYSA-N 2 2 357.418 0.773 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001086851751 1204847998 /nfs/dbraw/zinc/84/79/98/1204847998.db2.gz UZQZAWHTFXPDCD-JJRVBVJISA-N 2 2 368.441 0.644 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)C1 ZINC001086880513 1204856102 /nfs/dbraw/zinc/85/61/02/1204856102.db2.gz DAQJNPNYHHVEFI-BBWFWOEESA-N 2 2 361.490 0.880 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)C1 ZINC001086880513 1204856104 /nfs/dbraw/zinc/85/61/04/1204856104.db2.gz DAQJNPNYHHVEFI-BBWFWOEESA-N 2 2 361.490 0.880 20 0 FCADLP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001086984375 1204879010 /nfs/dbraw/zinc/87/90/10/1204879010.db2.gz MIESXJKWGLQLSJ-GVDBMIGSSA-N 2 2 371.489 0.635 20 0 FCADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2c2cnn(C)c2)o1 ZINC001086999309 1204888968 /nfs/dbraw/zinc/88/89/68/1204888968.db2.gz ADSBHIPKGGQXFJ-DLBZAZTESA-N 2 2 369.429 0.767 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087038379 1204915724 /nfs/dbraw/zinc/91/57/24/1204915724.db2.gz DFGIMGXJBDQNEI-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1coc(C)n1 ZINC001087038379 1204915730 /nfs/dbraw/zinc/91/57/30/1204915730.db2.gz DFGIMGXJBDQNEI-OIISXLGYSA-N 2 2 366.462 0.267 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001087070812 1204958400 /nfs/dbraw/zinc/95/84/00/1204958400.db2.gz LAYYGMLSMYTMQG-HUUCEWRRSA-N 2 2 362.434 0.618 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001087058986 1204966404 /nfs/dbraw/zinc/96/64/04/1204966404.db2.gz KRLXUDWLRQARIS-RHSMWYFYSA-N 2 2 360.462 0.729 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]Cc1noc(CC)n1 ZINC001087084778 1204973536 /nfs/dbraw/zinc/97/35/36/1204973536.db2.gz SKTSVGVXGFXTGB-QLFBSQMISA-N 2 2 367.494 0.925 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001087088053 1204976721 /nfs/dbraw/zinc/97/67/21/1204976721.db2.gz IFKDBUCVMUAEIU-UXIGCNINSA-N 2 2 361.450 0.593 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001087098623 1204993509 /nfs/dbraw/zinc/99/35/09/1204993509.db2.gz DMIKXWRMZLJTBY-RHSMWYFYSA-N 2 2 360.462 0.647 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)no1 ZINC001091805732 1205020394 /nfs/dbraw/zinc/02/03/94/1205020394.db2.gz NIPINQHMFKUEAI-MRAWALMUSA-N 2 2 361.446 0.019 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)no1 ZINC001091805732 1205020397 /nfs/dbraw/zinc/02/03/97/1205020397.db2.gz NIPINQHMFKUEAI-MRAWALMUSA-N 2 2 361.446 0.019 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)nc1 ZINC001091783242 1205027410 /nfs/dbraw/zinc/02/74/10/1205027410.db2.gz WWDUEEORNOZXGJ-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)nc1 ZINC001091783242 1205027412 /nfs/dbraw/zinc/02/74/12/1205027412.db2.gz WWDUEEORNOZXGJ-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)nc1 ZINC001091783242 1205027415 /nfs/dbraw/zinc/02/74/15/1205027415.db2.gz WWDUEEORNOZXGJ-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)nc1 ZINC001091783242 1205027417 /nfs/dbraw/zinc/02/74/17/1205027417.db2.gz WWDUEEORNOZXGJ-VIPLHTEESA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782779 1205027812 /nfs/dbraw/zinc/02/78/12/1205027812.db2.gz FPVURINIXPQURR-CIWUYKSXSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782779 1205027816 /nfs/dbraw/zinc/02/78/16/1205027816.db2.gz FPVURINIXPQURR-CIWUYKSXSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782779 1205027821 /nfs/dbraw/zinc/02/78/21/1205027821.db2.gz FPVURINIXPQURR-CIWUYKSXSA-N 2 2 373.501 0.784 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@]3(C)C2)cn1 ZINC001091782779 1205027825 /nfs/dbraw/zinc/02/78/25/1205027825.db2.gz FPVURINIXPQURR-CIWUYKSXSA-N 2 2 373.501 0.784 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091875313 1205062250 /nfs/dbraw/zinc/06/22/50/1205062250.db2.gz GKPUPGKRHLGVCY-KHYOSLBOSA-N 2 2 361.490 0.610 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001091875313 1205062253 /nfs/dbraw/zinc/06/22/53/1205062253.db2.gz GKPUPGKRHLGVCY-KHYOSLBOSA-N 2 2 361.490 0.610 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091897814 1205077299 /nfs/dbraw/zinc/07/72/99/1205077299.db2.gz IORPBMRQOWKXJR-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@]3(C)C2)C1=O ZINC001091897814 1205077301 /nfs/dbraw/zinc/07/73/01/1205077301.db2.gz IORPBMRQOWKXJR-GJYPPUQNSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)CCN1c1[nH+]cnc2c1cnn2C ZINC001092021688 1205119291 /nfs/dbraw/zinc/11/92/91/1205119291.db2.gz OVHFOSHZUADJDD-UGFHNGPFSA-N 2 2 357.462 0.787 20 0 FCADLP Cn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071403 1205134686 /nfs/dbraw/zinc/13/46/86/1205134686.db2.gz UOGPGNNJZDGTSP-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP Cn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071403 1205134691 /nfs/dbraw/zinc/13/46/91/1205134691.db2.gz UOGPGNNJZDGTSP-APWZRJJASA-N 2 2 360.506 0.827 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086754 1205138822 /nfs/dbraw/zinc/13/88/22/1205138822.db2.gz RZVZRLJOYJSKKT-DAYGRLMNSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086754 1205138825 /nfs/dbraw/zinc/13/88/25/1205138825.db2.gz RZVZRLJOYJSKKT-DAYGRLMNSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086754 1205138828 /nfs/dbraw/zinc/13/88/28/1205138828.db2.gz RZVZRLJOYJSKKT-DAYGRLMNSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001092086754 1205138830 /nfs/dbraw/zinc/13/88/30/1205138830.db2.gz RZVZRLJOYJSKKT-DAYGRLMNSA-N 2 2 357.462 0.660 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092049375 1205140240 /nfs/dbraw/zinc/14/02/40/1205140240.db2.gz BJNUDNDWJBWTBL-KHYOSLBOSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](C[C@@H]1CCNC(=O)CC1)C2 ZINC001092049375 1205140246 /nfs/dbraw/zinc/14/02/46/1205140246.db2.gz BJNUDNDWJBWTBL-KHYOSLBOSA-N 2 2 359.474 0.649 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092166322 1205176424 /nfs/dbraw/zinc/17/64/24/1205176424.db2.gz WOULVYKPCLENHR-LPMFXHHGSA-N 2 2 368.441 0.535 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092166322 1205176425 /nfs/dbraw/zinc/17/64/25/1205176425.db2.gz WOULVYKPCLENHR-LPMFXHHGSA-N 2 2 368.441 0.535 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)nn1C ZINC001092200590 1205195898 /nfs/dbraw/zinc/19/58/98/1205195898.db2.gz LORIERRVVFNSFI-BEFAXECRSA-N 2 2 356.474 0.985 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)nn1C ZINC001092200590 1205195903 /nfs/dbraw/zinc/19/59/03/1205195903.db2.gz LORIERRVVFNSFI-BEFAXECRSA-N 2 2 356.474 0.985 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092242239 1205210363 /nfs/dbraw/zinc/21/03/63/1205210363.db2.gz IRSFQKKDDOBVAC-ALKREAHSSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@]2(C)C1 ZINC001092242239 1205210366 /nfs/dbraw/zinc/21/03/66/1205210366.db2.gz IRSFQKKDDOBVAC-ALKREAHSSA-N 2 2 359.474 0.412 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272603 1205220090 /nfs/dbraw/zinc/22/00/90/1205220090.db2.gz HCFDADTYAREHNQ-IYOUNJFTSA-N 2 2 361.446 0.345 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272603 1205220095 /nfs/dbraw/zinc/22/00/95/1205220095.db2.gz HCFDADTYAREHNQ-IYOUNJFTSA-N 2 2 361.446 0.345 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272603 1205220101 /nfs/dbraw/zinc/22/01/01/1205220101.db2.gz HCFDADTYAREHNQ-IYOUNJFTSA-N 2 2 361.446 0.345 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)Nc4ccon4)C[C@@]3(C)C2)C1 ZINC001092272603 1205220104 /nfs/dbraw/zinc/22/01/04/1205220104.db2.gz HCFDADTYAREHNQ-IYOUNJFTSA-N 2 2 361.446 0.345 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)nn1 ZINC001092276245 1205223759 /nfs/dbraw/zinc/22/37/59/1205223759.db2.gz IAPUZQRHNXHKGK-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)nn1 ZINC001092276245 1205223761 /nfs/dbraw/zinc/22/37/61/1205223761.db2.gz IAPUZQRHNXHKGK-BEFAXECRSA-N 2 2 370.457 0.971 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001092303529 1205235528 /nfs/dbraw/zinc/23/55/28/1205235528.db2.gz IVQCQMGGABZPMW-IFXJQAMLSA-N 2 2 371.489 0.990 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001092290218 1205254895 /nfs/dbraw/zinc/25/48/95/1205254895.db2.gz WQCNGWSSAWOPJR-IFXJQAMLSA-N 2 2 371.489 0.990 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504070 1205296459 /nfs/dbraw/zinc/29/64/59/1205296459.db2.gz IBUCLMHRIHIVAR-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504070 1205296467 /nfs/dbraw/zinc/29/64/67/1205296467.db2.gz IBUCLMHRIHIVAR-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504070 1205296473 /nfs/dbraw/zinc/29/64/73/1205296473.db2.gz IBUCLMHRIHIVAR-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnnn2C(C)(C)C)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504070 1205296478 /nfs/dbraw/zinc/29/64/78/1205296478.db2.gz IBUCLMHRIHIVAR-RBSFLKMASA-N 2 2 363.510 0.706 20 0 FCADLP CCn1nc(C)c(C[N@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523982 1205303257 /nfs/dbraw/zinc/30/32/57/1205303257.db2.gz QEBQMMLZXNCWMW-UNEWFSDZSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@H](C)C2)n1 ZINC001092523982 1205303259 /nfs/dbraw/zinc/30/32/59/1205303259.db2.gz QEBQMMLZXNCWMW-UNEWFSDZSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523982 1205303263 /nfs/dbraw/zinc/30/32/63/1205303263.db2.gz QEBQMMLZXNCWMW-UNEWFSDZSA-N 2 2 364.494 0.121 20 0 FCADLP CCn1nc(C)c(C[NH+]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H](C)C2)n1 ZINC001092523982 1205303266 /nfs/dbraw/zinc/30/32/66/1205303266.db2.gz QEBQMMLZXNCWMW-UNEWFSDZSA-N 2 2 364.494 0.121 20 0 FCADLP Cn1cncc1C[C@H]([NH3+])C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460673 1224880921 /nfs/dbraw/zinc/88/09/21/1224880921.db2.gz VCFZCCPEHPLXRM-INIZCTEOSA-N 2 2 371.445 0.053 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092696604 1205341996 /nfs/dbraw/zinc/34/19/96/1205341996.db2.gz ZJFKYRHMBDDFAH-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092696604 1205341999 /nfs/dbraw/zinc/34/19/99/1205341999.db2.gz ZJFKYRHMBDDFAH-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092696604 1205342002 /nfs/dbraw/zinc/34/20/02/1205342002.db2.gz ZJFKYRHMBDDFAH-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092696604 1205342005 /nfs/dbraw/zinc/34/20/05/1205342005.db2.gz ZJFKYRHMBDDFAH-KLHDSHLOSA-N 2 2 359.474 0.820 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092741647 1205349375 /nfs/dbraw/zinc/34/93/75/1205349375.db2.gz GSWPMIXJGCJPSC-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092741647 1205349377 /nfs/dbraw/zinc/34/93/77/1205349377.db2.gz GSWPMIXJGCJPSC-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092742515 1205349547 /nfs/dbraw/zinc/34/95/47/1205349547.db2.gz USMQGJDYIFNDQJ-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001092742515 1205349549 /nfs/dbraw/zinc/34/95/49/1205349549.db2.gz USMQGJDYIFNDQJ-OWCLPIDISA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753644 1205351375 /nfs/dbraw/zinc/35/13/75/1205351375.db2.gz PSJSCGHBBGUBIL-XJKCOSOUSA-N 2 2 363.462 0.313 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753644 1205351377 /nfs/dbraw/zinc/35/13/77/1205351377.db2.gz PSJSCGHBBGUBIL-XJKCOSOUSA-N 2 2 363.462 0.313 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753282 1205351946 /nfs/dbraw/zinc/35/19/46/1205351946.db2.gz FANZGORTOXTROK-CHWSQXEVSA-N 2 2 363.462 0.313 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001092753282 1205351949 /nfs/dbraw/zinc/35/19/49/1205351949.db2.gz FANZGORTOXTROK-CHWSQXEVSA-N 2 2 363.462 0.313 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479154 1224886992 /nfs/dbraw/zinc/88/69/92/1224886992.db2.gz ZWYFXJYTYIMUNP-CVEARBPZSA-N 2 2 368.522 0.184 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479154 1224886995 /nfs/dbraw/zinc/88/69/95/1224886995.db2.gz ZWYFXJYTYIMUNP-CVEARBPZSA-N 2 2 368.522 0.184 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@@H]1O ZINC001220547855 1224920161 /nfs/dbraw/zinc/92/01/61/1224920161.db2.gz KNCUUJYJTMXHCH-XYPHTWIQSA-N 2 2 358.446 0.684 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@@H]1O ZINC001220547855 1224920168 /nfs/dbraw/zinc/92/01/68/1224920168.db2.gz KNCUUJYJTMXHCH-XYPHTWIQSA-N 2 2 358.446 0.684 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125276 1206028878 /nfs/dbraw/zinc/02/88/78/1206028878.db2.gz KOLROJORTXRAJH-MGPQQGTHSA-N 2 2 356.430 0.439 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125276 1206028881 /nfs/dbraw/zinc/02/88/81/1206028881.db2.gz KOLROJORTXRAJH-MGPQQGTHSA-N 2 2 356.430 0.439 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193726 1206053381 /nfs/dbraw/zinc/05/33/81/1206053381.db2.gz MHQQHWWWMBCYCZ-MGPQQGTHSA-N 2 2 370.448 0.679 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193726 1206053385 /nfs/dbraw/zinc/05/33/85/1206053385.db2.gz MHQQHWWWMBCYCZ-MGPQQGTHSA-N 2 2 370.448 0.679 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193726 1206053390 /nfs/dbraw/zinc/05/33/90/1206053390.db2.gz MHQQHWWWMBCYCZ-MGPQQGTHSA-N 2 2 370.448 0.679 20 0 FCADLP C[C@@H]1C[NH+](Cc2ncnn2CC(F)F)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193726 1206053395 /nfs/dbraw/zinc/05/33/95/1206053395.db2.gz MHQQHWWWMBCYCZ-MGPQQGTHSA-N 2 2 370.448 0.679 20 0 FCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001093280786 1206071666 /nfs/dbraw/zinc/07/16/66/1206071666.db2.gz LEFDELSQGULZCL-KFWWJZLASA-N 2 2 355.442 0.911 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001093690786 1206101058 /nfs/dbraw/zinc/10/10/58/1206101058.db2.gz DYFIMUJZPPYWGA-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP CCCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001093690786 1206101060 /nfs/dbraw/zinc/10/10/60/1206101060.db2.gz DYFIMUJZPPYWGA-OAGGEKHMSA-N 2 2 364.494 0.203 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001093744466 1206115157 /nfs/dbraw/zinc/11/51/57/1206115157.db2.gz WUFKAHVBIHRYOE-KFWWJZLASA-N 2 2 357.462 0.805 20 0 FCADLP CCn1ncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C)n1 ZINC001093871758 1206138495 /nfs/dbraw/zinc/13/84/95/1206138495.db2.gz UYAHYOPMKYIHDD-OWCLPIDISA-N 2 2 371.489 0.941 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)C2 ZINC001093875536 1206139993 /nfs/dbraw/zinc/13/99/93/1206139993.db2.gz YOPWYFZZJMDBGF-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3nncn3C)[C@H](C)C1)CC2 ZINC001093875536 1206139996 /nfs/dbraw/zinc/13/99/96/1206139996.db2.gz YOPWYFZZJMDBGF-VHDGCEQUSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)C2 ZINC001093875547 1206140280 /nfs/dbraw/zinc/14/02/80/1206140280.db2.gz ZAHHZSVNYPJLTN-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc3cnn(C)n3)[C@H](C)C1)CC2 ZINC001093875547 1206140283 /nfs/dbraw/zinc/14/02/83/1206140283.db2.gz ZAHHZSVNYPJLTN-BPLDGKMQSA-N 2 2 371.489 0.836 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001093923253 1206150909 /nfs/dbraw/zinc/15/09/09/1206150909.db2.gz LZMACAXZZPEANB-HUUCEWRRSA-N 2 2 371.489 0.775 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1nnc2n1CCCC2 ZINC001094075005 1206179643 /nfs/dbraw/zinc/17/96/43/1206179643.db2.gz UPVUJHPUWAYLHR-ZIAGYGMSSA-N 2 2 357.462 0.764 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001094166611 1206198039 /nfs/dbraw/zinc/19/80/39/1206198039.db2.gz HARFTNBGLHOHLL-OWCLPIDISA-N 2 2 361.490 0.563 20 0 FCADLP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)C1=O ZINC001094196801 1206206400 /nfs/dbraw/zinc/20/64/00/1206206400.db2.gz QVEVAWGJTUPATH-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001094244377 1206210173 /nfs/dbraw/zinc/21/01/73/1206210173.db2.gz PYZAWCBTFPKWAK-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001094254877 1206212912 /nfs/dbraw/zinc/21/29/12/1206212912.db2.gz RXZTUXJGFUKVNV-INMHGKMJSA-N 2 2 359.474 0.721 20 0 FCADLP CC(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nn2)C1 ZINC001094319097 1206214441 /nfs/dbraw/zinc/21/44/41/1206214441.db2.gz PIYKOTRQKZUHNP-HZPDHXFCSA-N 2 2 357.462 0.944 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@H+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384745 1206223089 /nfs/dbraw/zinc/22/30/89/1206223089.db2.gz HRBVNPCPXWVSOZ-IIDMSEBBSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@]3(CNC(=O)[C@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384745 1206223093 /nfs/dbraw/zinc/22/30/93/1206223093.db2.gz HRBVNPCPXWVSOZ-IIDMSEBBSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384745 1206223097 /nfs/dbraw/zinc/22/30/97/1206223097.db2.gz HRBVNPCPXWVSOZ-IIDMSEBBSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)[C@H]4C[NH+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384745 1206223099 /nfs/dbraw/zinc/22/30/99/1206223099.db2.gz HRBVNPCPXWVSOZ-IIDMSEBBSA-N 2 2 363.462 0.569 20 0 FCADLP CCCCCCOC(=O)CCC(=O)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220567579 1224936821 /nfs/dbraw/zinc/93/68/21/1224936821.db2.gz GODPDDMZKKOVKZ-INIZCTEOSA-N 2 2 366.462 0.879 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110160501 1206242765 /nfs/dbraw/zinc/24/27/65/1206242765.db2.gz RLHCXBSXXBFQOX-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110160501 1206242766 /nfs/dbraw/zinc/24/27/66/1206242766.db2.gz RLHCXBSXXBFQOX-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110160501 1206242768 /nfs/dbraw/zinc/24/27/68/1206242768.db2.gz RLHCXBSXXBFQOX-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110160501 1206242770 /nfs/dbraw/zinc/24/27/70/1206242770.db2.gz RLHCXBSXXBFQOX-NCOADZHNSA-N 2 2 366.506 0.295 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094783759 1206246709 /nfs/dbraw/zinc/24/67/09/1206246709.db2.gz WTBGHRIFKAUTSI-NUEKZKHPSA-N 2 2 357.458 0.335 20 0 FCADLP O=C1C[C@H]([N@@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CCN1C1CC1 ZINC001172014719 1206254549 /nfs/dbraw/zinc/25/45/49/1206254549.db2.gz NXKWRCSRALEWMG-OAHLLOKOSA-N 2 2 355.446 0.882 20 0 FCADLP O=C1C[C@H]([N@H+]2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CCN1C1CC1 ZINC001172014719 1206254551 /nfs/dbraw/zinc/25/45/51/1206254551.db2.gz NXKWRCSRALEWMG-OAHLLOKOSA-N 2 2 355.446 0.882 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001220568588 1224939707 /nfs/dbraw/zinc/93/97/07/1224939707.db2.gz UCNUESPBHQDZJF-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001220568588 1224939711 /nfs/dbraw/zinc/93/97/11/1224939711.db2.gz UCNUESPBHQDZJF-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001220568588 1224939717 /nfs/dbraw/zinc/93/97/17/1224939717.db2.gz UCNUESPBHQDZJF-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001220568588 1224939723 /nfs/dbraw/zinc/93/97/23/1224939723.db2.gz UCNUESPBHQDZJF-MSOLQXFVSA-N 2 2 363.506 0.958 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C3)n1 ZINC001095268158 1206291152 /nfs/dbraw/zinc/29/11/52/1206291152.db2.gz SYEWMQNZDBIHHO-VSZNYVQBSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C3)n1 ZINC001095268158 1206291154 /nfs/dbraw/zinc/29/11/54/1206291154.db2.gz SYEWMQNZDBIHHO-VSZNYVQBSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001095268158 1206291156 /nfs/dbraw/zinc/29/11/56/1206291156.db2.gz SYEWMQNZDBIHHO-VSZNYVQBSA-N 2 2 361.490 0.552 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C3)n1 ZINC001095268158 1206291157 /nfs/dbraw/zinc/29/11/57/1206291157.db2.gz SYEWMQNZDBIHHO-VSZNYVQBSA-N 2 2 361.490 0.552 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O)C(C)C ZINC001220573085 1224941978 /nfs/dbraw/zinc/94/19/78/1224941978.db2.gz PJBMIZKDRLBNAO-SQNIBIBYSA-N 2 2 363.506 0.813 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O)C(C)C ZINC001220573085 1224941986 /nfs/dbraw/zinc/94/19/86/1224941986.db2.gz PJBMIZKDRLBNAO-SQNIBIBYSA-N 2 2 363.506 0.813 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CCc2[nH]cc[nH+]2)CC3)CC1 ZINC001177994122 1206351049 /nfs/dbraw/zinc/35/10/49/1206351049.db2.gz QXLMOPDYWZFFHI-UHFFFAOYSA-N 2 2 357.462 0.329 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220584819 1224948911 /nfs/dbraw/zinc/94/89/11/1224948911.db2.gz KVKFRTXSWINWED-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001220584819 1224948923 /nfs/dbraw/zinc/94/89/23/1224948923.db2.gz KVKFRTXSWINWED-SJORKVTESA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584872 1224950757 /nfs/dbraw/zinc/95/07/57/1224950757.db2.gz NEORHWAGWYXTOC-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584872 1224950767 /nfs/dbraw/zinc/95/07/67/1224950767.db2.gz NEORHWAGWYXTOC-BBWFWOEESA-N 2 2 368.522 0.281 20 0 FCADLP C[NH+]1CCC(C)(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001181987728 1206418489 /nfs/dbraw/zinc/41/84/89/1206418489.db2.gz WWSQBEZJWZMNQV-UHFFFAOYSA-N 2 2 357.462 0.987 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001182011921 1206419556 /nfs/dbraw/zinc/41/95/56/1206419556.db2.gz GUMOHYDZKJCGSB-HNNXBMFYSA-N 2 2 355.446 0.597 20 0 FCADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000774474345 1206437852 /nfs/dbraw/zinc/43/78/52/1206437852.db2.gz XQIBNAUKYAXZNR-MRXNPFEDSA-N 2 2 363.462 0.149 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182838940 1206444883 /nfs/dbraw/zinc/44/48/83/1206444883.db2.gz WIDMQRURAREPMM-TXPKVOOTSA-N 2 2 367.490 0.724 20 0 FCADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182838940 1206444884 /nfs/dbraw/zinc/44/48/84/1206444884.db2.gz WIDMQRURAREPMM-TXPKVOOTSA-N 2 2 367.490 0.724 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Nc3cccnc3)CC2)C1=O ZINC001185668758 1206484766 /nfs/dbraw/zinc/48/47/66/1206484766.db2.gz BVNZODBXSDXTAZ-UHFFFAOYSA-N 2 2 374.489 0.784 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Nc3cccnc3)CC2)C1=O ZINC001185668758 1206484768 /nfs/dbraw/zinc/48/47/68/1206484768.db2.gz BVNZODBXSDXTAZ-UHFFFAOYSA-N 2 2 374.489 0.784 20 0 FCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714072 1207386458 /nfs/dbraw/zinc/38/64/58/1207386458.db2.gz KZNALOZMJQCZGP-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714072 1207386461 /nfs/dbraw/zinc/38/64/61/1207386461.db2.gz KZNALOZMJQCZGP-JKSUJKDBSA-N 2 2 359.474 0.743 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001188106918 1207422425 /nfs/dbraw/zinc/42/24/25/1207422425.db2.gz COPIJZZRCKQGTG-GVDBMIGSSA-N 2 2 370.513 0.971 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001188106918 1207422428 /nfs/dbraw/zinc/42/24/28/1207422428.db2.gz COPIJZZRCKQGTG-GVDBMIGSSA-N 2 2 370.513 0.971 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188629639 1207469959 /nfs/dbraw/zinc/46/99/59/1207469959.db2.gz DQKAWHJYLABSNU-ARFHVFGLSA-N 2 2 361.490 0.930 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001188629639 1207469961 /nfs/dbraw/zinc/46/99/61/1207469961.db2.gz DQKAWHJYLABSNU-ARFHVFGLSA-N 2 2 361.490 0.930 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819078 1207483331 /nfs/dbraw/zinc/48/33/31/1207483331.db2.gz RUNWIKGVCUKQLU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819078 1207483334 /nfs/dbraw/zinc/48/33/34/1207483334.db2.gz RUNWIKGVCUKQLU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188819078 1207483336 /nfs/dbraw/zinc/48/33/36/1207483336.db2.gz RUNWIKGVCUKQLU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP COCCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188819078 1207483338 /nfs/dbraw/zinc/48/33/38/1207483338.db2.gz RUNWIKGVCUKQLU-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151931 1207512719 /nfs/dbraw/zinc/51/27/19/1207512719.db2.gz VJCGBTOZJBABLS-ZWKOTPCHSA-N 2 2 358.486 0.440 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151931 1207512729 /nfs/dbraw/zinc/51/27/29/1207512729.db2.gz VJCGBTOZJBABLS-ZWKOTPCHSA-N 2 2 358.486 0.440 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151931 1207512735 /nfs/dbraw/zinc/51/27/35/1207512735.db2.gz VJCGBTOZJBABLS-ZWKOTPCHSA-N 2 2 358.486 0.440 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189151931 1207512739 /nfs/dbraw/zinc/51/27/39/1207512739.db2.gz VJCGBTOZJBABLS-ZWKOTPCHSA-N 2 2 358.486 0.440 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220673992 1225005018 /nfs/dbraw/zinc/00/50/18/1225005018.db2.gz FUOLJPVPCODKJP-XKQJLSEDSA-N 2 2 359.430 0.203 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](O)C1 ZINC001220673992 1225005027 /nfs/dbraw/zinc/00/50/27/1225005027.db2.gz FUOLJPVPCODKJP-XKQJLSEDSA-N 2 2 359.430 0.203 20 0 FCADLP CCc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189820018 1207605195 /nfs/dbraw/zinc/60/51/95/1207605195.db2.gz KPMCTUFZPKDXPU-QLFBSQMISA-N 2 2 365.478 0.804 20 0 FCADLP CCc1noc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)n1 ZINC001189820018 1207605196 /nfs/dbraw/zinc/60/51/96/1207605196.db2.gz KPMCTUFZPKDXPU-QLFBSQMISA-N 2 2 365.478 0.804 20 0 FCADLP O=C(N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1)C12CC[NH+](CC1)CC2 ZINC001273590008 1207622763 /nfs/dbraw/zinc/62/27/63/1207622763.db2.gz VMPAEABIYFIBSD-SJORKVTESA-N 2 2 359.474 0.281 20 0 FCADLP CCN(C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898013 1207736864 /nfs/dbraw/zinc/73/68/64/1207736864.db2.gz AYTNWNVZXVBELC-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898013 1207736872 /nfs/dbraw/zinc/73/68/72/1207736872.db2.gz AYTNWNVZXVBELC-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898013 1207736881 /nfs/dbraw/zinc/73/68/81/1207736881.db2.gz AYTNWNVZXVBELC-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898013 1207736893 /nfs/dbraw/zinc/73/68/93/1207736893.db2.gz AYTNWNVZXVBELC-DJIMGWMZSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898014 1207737195 /nfs/dbraw/zinc/73/71/95/1207737195.db2.gz AYTNWNVZXVBELC-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898014 1207737200 /nfs/dbraw/zinc/73/72/00/1207737200.db2.gz AYTNWNVZXVBELC-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898014 1207737203 /nfs/dbraw/zinc/73/72/03/1207737203.db2.gz AYTNWNVZXVBELC-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP CCN(C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C1CC1 ZINC001190898014 1207737209 /nfs/dbraw/zinc/73/72/09/1207737209.db2.gz AYTNWNVZXVBELC-HYVNUMGLSA-N 2 2 366.506 0.249 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898503 1207737711 /nfs/dbraw/zinc/73/77/11/1207737711.db2.gz CRBSGKUQQZQEIO-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898503 1207737714 /nfs/dbraw/zinc/73/77/14/1207737714.db2.gz CRBSGKUQQZQEIO-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898503 1207737719 /nfs/dbraw/zinc/73/77/19/1207737719.db2.gz CRBSGKUQQZQEIO-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC3CCCC3)C2)O1 ZINC001190898503 1207737722 /nfs/dbraw/zinc/73/77/22/1207737722.db2.gz CRBSGKUQQZQEIO-DJIMGWMZSA-N 2 2 366.506 0.297 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014972 1207816210 /nfs/dbraw/zinc/81/62/10/1207816210.db2.gz ZIYMOOUVWNBMIR-QRVBRYPASA-N 2 2 361.486 0.501 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014972 1207816212 /nfs/dbraw/zinc/81/62/12/1207816212.db2.gz ZIYMOOUVWNBMIR-QRVBRYPASA-N 2 2 361.486 0.501 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]2O)C1 ZINC001192014972 1207816214 /nfs/dbraw/zinc/81/62/14/1207816214.db2.gz ZIYMOOUVWNBMIR-QRVBRYPASA-N 2 2 361.486 0.501 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193737582 1207886238 /nfs/dbraw/zinc/88/62/38/1207886238.db2.gz BQYBYYKDCZDGMG-GVDBMIGSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193737582 1207886239 /nfs/dbraw/zinc/88/62/39/1207886239.db2.gz BQYBYYKDCZDGMG-GVDBMIGSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193737582 1207886240 /nfs/dbraw/zinc/88/62/40/1207886240.db2.gz BQYBYYKDCZDGMG-GVDBMIGSSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001193737582 1207886242 /nfs/dbraw/zinc/88/62/42/1207886242.db2.gz BQYBYYKDCZDGMG-GVDBMIGSSA-N 2 2 368.522 0.277 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)c1 ZINC001193738351 1207886705 /nfs/dbraw/zinc/88/67/05/1207886705.db2.gz RAVPKGUDTOMMLR-CEXWTWQISA-N 2 2 371.485 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)c1 ZINC001193738351 1207886707 /nfs/dbraw/zinc/88/67/07/1207886707.db2.gz RAVPKGUDTOMMLR-CEXWTWQISA-N 2 2 371.485 0.483 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193773613 1207887797 /nfs/dbraw/zinc/88/77/97/1207887797.db2.gz AHMDKJXTMAPPQI-BZUAXINKSA-N 2 2 368.522 0.183 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193791703 1207889078 /nfs/dbraw/zinc/88/90/78/1207889078.db2.gz PDMHADYALRYOSQ-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193791703 1207889080 /nfs/dbraw/zinc/88/90/80/1207889080.db2.gz PDMHADYALRYOSQ-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193791703 1207889082 /nfs/dbraw/zinc/88/90/82/1207889082.db2.gz PDMHADYALRYOSQ-USXIJHARSA-N 2 2 366.506 0.033 20 0 FCADLP CCC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756900 1207890368 /nfs/dbraw/zinc/89/03/68/1207890368.db2.gz VIDPCEIMROTCBD-AJSYRKLNSA-N 2 2 363.506 0.721 20 0 FCADLP CCC/C=C/CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756900 1207890369 /nfs/dbraw/zinc/89/03/69/1207890369.db2.gz VIDPCEIMROTCBD-AJSYRKLNSA-N 2 2 363.506 0.721 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001194243584 1207926399 /nfs/dbraw/zinc/92/63/99/1207926399.db2.gz ACUNJIFVVVNFIZ-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001194243584 1207926402 /nfs/dbraw/zinc/92/64/02/1207926402.db2.gz ACUNJIFVVVNFIZ-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001194243584 1207926406 /nfs/dbraw/zinc/92/64/06/1207926406.db2.gz ACUNJIFVVVNFIZ-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1O ZINC001194243584 1207926410 /nfs/dbraw/zinc/92/64/10/1207926410.db2.gz ACUNJIFVVVNFIZ-HZPDHXFCSA-N 2 2 368.522 0.281 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430424 1207949979 /nfs/dbraw/zinc/94/99/79/1207949979.db2.gz GIOYTUCFSTZVNS-OWCLPIDISA-N 2 2 359.430 0.153 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430424 1207949984 /nfs/dbraw/zinc/94/99/84/1207949984.db2.gz GIOYTUCFSTZVNS-OWCLPIDISA-N 2 2 359.430 0.153 20 0 FCADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001194881226 1207981232 /nfs/dbraw/zinc/98/12/32/1207981232.db2.gz LZBLLLOLXJEKAS-TVFCKZIOSA-N 2 2 369.506 0.218 20 0 FCADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001194881226 1207981235 /nfs/dbraw/zinc/98/12/35/1207981235.db2.gz LZBLLLOLXJEKAS-TVFCKZIOSA-N 2 2 369.506 0.218 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001195661349 1208033896 /nfs/dbraw/zinc/03/38/96/1208033896.db2.gz MLGXIMWDYCORKK-HUUCEWRRSA-N 2 2 364.490 0.939 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)o1 ZINC001195661349 1208033904 /nfs/dbraw/zinc/03/39/04/1208033904.db2.gz MLGXIMWDYCORKK-HUUCEWRRSA-N 2 2 364.490 0.939 20 0 FCADLP CN(C)c1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)ccn1 ZINC001195662074 1208034762 /nfs/dbraw/zinc/03/47/62/1208034762.db2.gz XUZMDDIASBQNOY-HZPDHXFCSA-N 2 2 361.490 0.151 20 0 FCADLP CN(C)c1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)ccn1 ZINC001195662074 1208034764 /nfs/dbraw/zinc/03/47/64/1208034764.db2.gz XUZMDDIASBQNOY-HZPDHXFCSA-N 2 2 361.490 0.151 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195708160 1208036221 /nfs/dbraw/zinc/03/62/21/1208036221.db2.gz GNHFSGQDALDUTK-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195708160 1208036226 /nfs/dbraw/zinc/03/62/26/1208036226.db2.gz GNHFSGQDALDUTK-IXDOHACOSA-N 2 2 371.428 0.501 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@@H+]1C ZINC001195900656 1208044735 /nfs/dbraw/zinc/04/47/35/1208044735.db2.gz OPMCFSSSOVNEKZ-SOUVJXGZSA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)CC[N@H+]1C ZINC001195900656 1208044739 /nfs/dbraw/zinc/04/47/39/1208044739.db2.gz OPMCFSSSOVNEKZ-SOUVJXGZSA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)CC2)CC[NH+]1C ZINC001195900656 1208044742 /nfs/dbraw/zinc/04/47/42/1208044742.db2.gz OPMCFSSSOVNEKZ-SOUVJXGZSA-N 2 2 367.494 0.095 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC)CC2)CC[NH+]1C ZINC001195900656 1208044744 /nfs/dbraw/zinc/04/47/44/1208044744.db2.gz OPMCFSSSOVNEKZ-SOUVJXGZSA-N 2 2 367.494 0.095 20 0 FCADLP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871235 1208044913 /nfs/dbraw/zinc/04/49/13/1208044913.db2.gz OGYJKPFELCOAEB-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195871235 1208044917 /nfs/dbraw/zinc/04/49/17/1208044917.db2.gz OGYJKPFELCOAEB-IAGOWNOFSA-N 2 2 370.538 0.528 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@H]2O)C1 ZINC001196185328 1208060174 /nfs/dbraw/zinc/06/01/74/1208060174.db2.gz UZOJFALLLSHDAV-GVDBMIGSSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOC[C@@H]3CCCO3)C[C@H]2O)C1 ZINC001196185328 1208060179 /nfs/dbraw/zinc/06/01/79/1208060179.db2.gz UZOJFALLLSHDAV-GVDBMIGSSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)C1 ZINC001196185328 1208060183 /nfs/dbraw/zinc/06/01/83/1208060183.db2.gz UZOJFALLLSHDAV-GVDBMIGSSA-N 2 2 369.506 0.075 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]2O)C1 ZINC001196185328 1208060188 /nfs/dbraw/zinc/06/01/88/1208060188.db2.gz UZOJFALLLSHDAV-GVDBMIGSSA-N 2 2 369.506 0.075 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222426 1208068362 /nfs/dbraw/zinc/06/83/62/1208068362.db2.gz OHDOGPGZKIJBHS-RRFJBIMHSA-N 2 2 370.538 0.429 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222426 1208068368 /nfs/dbraw/zinc/06/83/68/1208068368.db2.gz OHDOGPGZKIJBHS-RRFJBIMHSA-N 2 2 370.538 0.429 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196222426 1208068371 /nfs/dbraw/zinc/06/83/71/1208068371.db2.gz OHDOGPGZKIJBHS-RRFJBIMHSA-N 2 2 370.538 0.429 20 0 FCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196222426 1208068375 /nfs/dbraw/zinc/06/83/75/1208068375.db2.gz OHDOGPGZKIJBHS-RRFJBIMHSA-N 2 2 370.538 0.429 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306768 1208070840 /nfs/dbraw/zinc/07/08/40/1208070840.db2.gz IXLVPFJROMWANL-IAOVAPTHSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306768 1208070842 /nfs/dbraw/zinc/07/08/42/1208070842.db2.gz IXLVPFJROMWANL-IAOVAPTHSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001196499281 1208089266 /nfs/dbraw/zinc/08/92/66/1208089266.db2.gz MMFXSYLNEIATAV-DJIMGWMZSA-N 2 2 360.462 0.509 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001196499281 1208089269 /nfs/dbraw/zinc/08/92/69/1208089269.db2.gz MMFXSYLNEIATAV-DJIMGWMZSA-N 2 2 360.462 0.509 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001196501343 1208089656 /nfs/dbraw/zinc/08/96/56/1208089656.db2.gz XLHCVDCISONYJI-BPLDGKMQSA-N 2 2 362.434 0.320 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001196501343 1208089659 /nfs/dbraw/zinc/08/96/59/1208089659.db2.gz XLHCVDCISONYJI-BPLDGKMQSA-N 2 2 362.434 0.320 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197001217 1208128980 /nfs/dbraw/zinc/12/89/80/1208128980.db2.gz UDOQXCJLLMVAAJ-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197001217 1208128982 /nfs/dbraw/zinc/12/89/82/1208128982.db2.gz UDOQXCJLLMVAAJ-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197001217 1208128985 /nfs/dbraw/zinc/12/89/85/1208128985.db2.gz UDOQXCJLLMVAAJ-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001197001217 1208128988 /nfs/dbraw/zinc/12/89/88/1208128988.db2.gz UDOQXCJLLMVAAJ-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O)C(C)C ZINC001197026082 1208132896 /nfs/dbraw/zinc/13/28/96/1208132896.db2.gz ZAJYUKZCZBTTLE-KURKYZTESA-N 2 2 365.522 0.756 20 0 FCADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O)C(C)C ZINC001197026082 1208132899 /nfs/dbraw/zinc/13/28/99/1208132899.db2.gz ZAJYUKZCZBTTLE-KURKYZTESA-N 2 2 365.522 0.756 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197434682 1208164611 /nfs/dbraw/zinc/16/46/11/1208164611.db2.gz YBTRIHQZYOHJOA-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001197434682 1208164617 /nfs/dbraw/zinc/16/46/17/1208164617.db2.gz YBTRIHQZYOHJOA-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001197493377 1208171577 /nfs/dbraw/zinc/17/15/77/1208171577.db2.gz KVSBEQVZQMDZSG-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001197493377 1208171580 /nfs/dbraw/zinc/17/15/80/1208171580.db2.gz KVSBEQVZQMDZSG-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001197493377 1208171581 /nfs/dbraw/zinc/17/15/81/1208171581.db2.gz KVSBEQVZQMDZSG-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001197493377 1208171582 /nfs/dbraw/zinc/17/15/82/1208171582.db2.gz KVSBEQVZQMDZSG-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752246 1208193309 /nfs/dbraw/zinc/19/33/09/1208193309.db2.gz JZCOGELYMRKZHW-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001197752246 1208193311 /nfs/dbraw/zinc/19/33/11/1208193311.db2.gz JZCOGELYMRKZHW-IAGOWNOFSA-N 2 2 359.430 0.469 20 0 FCADLP COc1ccc(CC[NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)cc1 ZINC001220743890 1225048550 /nfs/dbraw/zinc/04/85/50/1225048550.db2.gz UMKSBQUDWNJKSH-UWJYYQICSA-N 3 2 372.513 0.770 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001198003737 1208210751 /nfs/dbraw/zinc/21/07/51/1208210751.db2.gz FRRSXXMHEWGTLE-HZPDHXFCSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001198003737 1208210752 /nfs/dbraw/zinc/21/07/52/1208210752.db2.gz FRRSXXMHEWGTLE-HZPDHXFCSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001198003737 1208210754 /nfs/dbraw/zinc/21/07/54/1208210754.db2.gz FRRSXXMHEWGTLE-HZPDHXFCSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1O ZINC001198003737 1208210756 /nfs/dbraw/zinc/21/07/56/1208210756.db2.gz FRRSXXMHEWGTLE-HZPDHXFCSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001198003895 1208211045 /nfs/dbraw/zinc/21/10/45/1208211045.db2.gz MJEIZAHPNZKCQZ-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001198003895 1208211047 /nfs/dbraw/zinc/21/10/47/1208211047.db2.gz MJEIZAHPNZKCQZ-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001198003895 1208211050 /nfs/dbraw/zinc/21/10/50/1208211050.db2.gz MJEIZAHPNZKCQZ-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1O ZINC001198003895 1208211053 /nfs/dbraw/zinc/21/10/53/1208211053.db2.gz MJEIZAHPNZKCQZ-BRWVUGGUSA-N 2 2 368.522 0.138 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001198028740 1208215589 /nfs/dbraw/zinc/21/55/89/1208215589.db2.gz HLSRKZZETLZXOG-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001198028740 1208215594 /nfs/dbraw/zinc/21/55/94/1208215594.db2.gz HLSRKZZETLZXOG-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001198028740 1208215597 /nfs/dbraw/zinc/21/55/97/1208215597.db2.gz HLSRKZZETLZXOG-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038861 1208216650 /nfs/dbraw/zinc/21/66/50/1208216650.db2.gz VZNPJPLSRKFYBL-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038861 1208216652 /nfs/dbraw/zinc/21/66/52/1208216652.db2.gz VZNPJPLSRKFYBL-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038861 1208216654 /nfs/dbraw/zinc/21/66/54/1208216654.db2.gz VZNPJPLSRKFYBL-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1O ZINC001198038861 1208216658 /nfs/dbraw/zinc/21/66/58/1208216658.db2.gz VZNPJPLSRKFYBL-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)c1 ZINC001198286727 1208234629 /nfs/dbraw/zinc/23/46/29/1208234629.db2.gz XQJILCIOYBABIV-QZTJIDSGSA-N 2 2 358.442 0.723 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH+]cn3C)C2)c1 ZINC001198286727 1208234634 /nfs/dbraw/zinc/23/46/34/1208234634.db2.gz XQJILCIOYBABIV-QZTJIDSGSA-N 2 2 358.442 0.723 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000775866384 1208262223 /nfs/dbraw/zinc/26/22/23/1208262223.db2.gz HSAFLWMEXCXLMU-ZKXLYKBJSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000775866384 1208262226 /nfs/dbraw/zinc/26/22/26/1208262226.db2.gz HSAFLWMEXCXLMU-ZKXLYKBJSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)C1 ZINC000775866384 1208262229 /nfs/dbraw/zinc/26/22/29/1208262229.db2.gz HSAFLWMEXCXLMU-ZKXLYKBJSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000775866384 1208262235 /nfs/dbraw/zinc/26/22/35/1208262235.db2.gz HSAFLWMEXCXLMU-ZKXLYKBJSA-N 2 2 364.534 0.974 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001198699636 1208279895 /nfs/dbraw/zinc/27/98/95/1208279895.db2.gz VGGCLWQRZJNQGL-BMGDILEWSA-N 2 2 365.449 0.455 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000867315137 1208341262 /nfs/dbraw/zinc/34/12/62/1208341262.db2.gz WUTNZYFYXXVDOS-WSGSOLELSA-N 2 2 359.470 0.758 20 0 FCADLP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000867315137 1208341267 /nfs/dbraw/zinc/34/12/67/1208341267.db2.gz WUTNZYFYXXVDOS-WSGSOLELSA-N 2 2 359.470 0.758 20 0 FCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnccc1N1CC[NH+](C)CC1 ZINC001199361259 1208343156 /nfs/dbraw/zinc/34/31/56/1208343156.db2.gz TZIQPCGGADLSNQ-UHFFFAOYSA-N 3 2 361.494 0.511 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369969 1208343945 /nfs/dbraw/zinc/34/39/45/1208343945.db2.gz FOYADZZOJAIAJD-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199369969 1208343947 /nfs/dbraw/zinc/34/39/47/1208343947.db2.gz FOYADZZOJAIAJD-IAGOWNOFSA-N 2 2 368.522 0.282 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764282 1225061572 /nfs/dbraw/zinc/06/15/72/1225061572.db2.gz FSWHPGSHNLGXMY-JLZZUVOBSA-N 2 2 371.428 0.765 20 0 FCADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764282 1225061584 /nfs/dbraw/zinc/06/15/84/1225061584.db2.gz FSWHPGSHNLGXMY-JLZZUVOBSA-N 2 2 371.428 0.765 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001110575686 1208482513 /nfs/dbraw/zinc/48/25/13/1208482513.db2.gz ZJLKZHNRNGWPSC-FGTAOJJYSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC2CCC2)CC[N@H+]1C ZINC001110575686 1208482517 /nfs/dbraw/zinc/48/25/17/1208482517.db2.gz ZJLKZHNRNGWPSC-FGTAOJJYSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC2CCC2)CC[NH+]1C ZINC001110575686 1208482526 /nfs/dbraw/zinc/48/25/26/1208482526.db2.gz ZJLKZHNRNGWPSC-FGTAOJJYSA-N 2 2 362.518 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC2CCC2)CC[NH+]1C ZINC001110575686 1208482530 /nfs/dbraw/zinc/48/25/30/1208482530.db2.gz ZJLKZHNRNGWPSC-FGTAOJJYSA-N 2 2 362.518 0.964 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578514 1208487078 /nfs/dbraw/zinc/48/70/78/1208487078.db2.gz KGYUVAFNOGJCPH-TWMKSMIVSA-N 2 2 362.474 0.491 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578514 1208487086 /nfs/dbraw/zinc/48/70/86/1208487086.db2.gz KGYUVAFNOGJCPH-TWMKSMIVSA-N 2 2 362.474 0.491 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220799014 1225079990 /nfs/dbraw/zinc/07/99/90/1225079990.db2.gz LRFZDPNCJOYGGT-MSOLQXFVSA-N 2 2 367.465 0.711 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001220799014 1225079996 /nfs/dbraw/zinc/07/99/96/1225079996.db2.gz LRFZDPNCJOYGGT-MSOLQXFVSA-N 2 2 367.465 0.711 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)c(C)n1 ZINC001220806510 1225082500 /nfs/dbraw/zinc/08/25/00/1225082500.db2.gz GDMBBUOFEZWESR-CVEARBPZSA-N 2 2 365.478 0.187 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)c(C)n1 ZINC001220806510 1225082508 /nfs/dbraw/zinc/08/25/08/1225082508.db2.gz GDMBBUOFEZWESR-CVEARBPZSA-N 2 2 365.478 0.187 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822473 1225088448 /nfs/dbraw/zinc/08/84/48/1225088448.db2.gz ZWWCXJRBWWPEMP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822473 1225088455 /nfs/dbraw/zinc/08/84/55/1225088455.db2.gz ZWWCXJRBWWPEMP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822473 1225088464 /nfs/dbraw/zinc/08/84/64/1225088464.db2.gz ZWWCXJRBWWPEMP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220822473 1225088472 /nfs/dbraw/zinc/08/84/72/1225088472.db2.gz ZWWCXJRBWWPEMP-IKGGRYGDSA-N 2 2 371.428 0.501 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001489399119 1208804651 /nfs/dbraw/zinc/80/46/51/1208804651.db2.gz LQQVZAYROFVCSV-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001489399119 1208804652 /nfs/dbraw/zinc/80/46/52/1208804652.db2.gz LQQVZAYROFVCSV-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1)n1cc[nH+]c1 ZINC001489592434 1209014927 /nfs/dbraw/zinc/01/49/27/1209014927.db2.gz WAXXMGPUXUIAPG-IMJJTQAJSA-N 2 2 363.462 0.006 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1)n1cc[nH+]c1 ZINC001489592434 1209014933 /nfs/dbraw/zinc/01/49/33/1209014933.db2.gz WAXXMGPUXUIAPG-IMJJTQAJSA-N 2 2 363.462 0.006 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001220888291 1225124405 /nfs/dbraw/zinc/12/44/05/1225124405.db2.gz JHPJWPNWQGIZAS-KURKYZTESA-N 2 2 358.442 0.248 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001220888291 1225124410 /nfs/dbraw/zinc/12/44/10/1225124410.db2.gz JHPJWPNWQGIZAS-KURKYZTESA-N 2 2 358.442 0.248 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@H+](C[C@@H]1CCOC1)C2 ZINC001202484837 1209519159 /nfs/dbraw/zinc/51/91/59/1209519159.db2.gz FCCYKTGWKWOPIH-DLBZAZTESA-N 2 2 364.490 0.705 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)C[N@@H+](C[C@@H]1CCOC1)C2 ZINC001202484837 1209519161 /nfs/dbraw/zinc/51/91/61/1209519161.db2.gz FCCYKTGWKWOPIH-DLBZAZTESA-N 2 2 364.490 0.705 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128498 1209534048 /nfs/dbraw/zinc/53/40/48/1209534048.db2.gz PTWUIRJGDPQZQI-HOCLYGCPSA-N 2 2 365.478 0.391 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128498 1209534055 /nfs/dbraw/zinc/53/40/55/1209534055.db2.gz PTWUIRJGDPQZQI-HOCLYGCPSA-N 2 2 365.478 0.391 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128499 1209534470 /nfs/dbraw/zinc/53/44/70/1209534470.db2.gz PTWUIRJGDPQZQI-ZBFHGGJFSA-N 2 2 365.478 0.391 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](N4CCOC4=O)C3)C2)CC1 ZINC000852128499 1209534473 /nfs/dbraw/zinc/53/44/73/1209534473.db2.gz PTWUIRJGDPQZQI-ZBFHGGJFSA-N 2 2 365.478 0.391 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684611 1209627895 /nfs/dbraw/zinc/62/78/95/1209627895.db2.gz QZLXHLCPQZLGOQ-YJNKXOJESA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684611 1209627896 /nfs/dbraw/zinc/62/78/96/1209627896.db2.gz QZLXHLCPQZLGOQ-YJNKXOJESA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110684611 1209627898 /nfs/dbraw/zinc/62/78/98/1209627898.db2.gz QZLXHLCPQZLGOQ-YJNKXOJESA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110684611 1209627899 /nfs/dbraw/zinc/62/78/99/1209627899.db2.gz QZLXHLCPQZLGOQ-YJNKXOJESA-N 2 2 365.478 0.038 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979424 1225172316 /nfs/dbraw/zinc/17/23/16/1225172316.db2.gz LJHKWEJWUPOZRR-CFVMTHIKSA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979424 1225172319 /nfs/dbraw/zinc/17/23/19/1225172319.db2.gz LJHKWEJWUPOZRR-CFVMTHIKSA-N 2 2 365.478 0.046 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986264 1225175501 /nfs/dbraw/zinc/17/55/01/1225175501.db2.gz YUKIWBNARBJVKC-JQHSSLGASA-N 2 2 362.474 0.020 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H](O)C2)c1 ZINC001220986264 1225175509 /nfs/dbraw/zinc/17/55/09/1225175509.db2.gz YUKIWBNARBJVKC-JQHSSLGASA-N 2 2 362.474 0.020 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000866215243 1209994351 /nfs/dbraw/zinc/99/43/51/1209994351.db2.gz HVJTZEIKVUBLLF-WWPOYFSUSA-N 2 2 359.470 0.628 20 0 FCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000866215243 1209994356 /nfs/dbraw/zinc/99/43/56/1209994356.db2.gz HVJTZEIKVUBLLF-WWPOYFSUSA-N 2 2 359.470 0.628 20 0 FCADLP C[NH+](C)CCCOc1cnccc1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868394511 1210061749 /nfs/dbraw/zinc/06/17/49/1210061749.db2.gz URPRMIFOFVRGHQ-HYXAFXHYSA-N 2 2 362.474 0.917 20 0 FCADLP C[NH+](C)CCc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870059713 1210102373 /nfs/dbraw/zinc/10/23/73/1210102373.db2.gz LNEJHYNUAMAWEG-IBGZPJMESA-N 2 2 361.486 0.964 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000825668730 1210239218 /nfs/dbraw/zinc/23/92/18/1210239218.db2.gz WKDBAMJLXXZQFG-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000825668730 1210239226 /nfs/dbraw/zinc/23/92/26/1210239226.db2.gz WKDBAMJLXXZQFG-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000825668730 1210239230 /nfs/dbraw/zinc/23/92/30/1210239230.db2.gz WKDBAMJLXXZQFG-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000825668730 1210239236 /nfs/dbraw/zinc/23/92/36/1210239236.db2.gz WKDBAMJLXXZQFG-CALCHBBNSA-N 2 2 369.554 0.763 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CC1=O ZINC000874893436 1210321120 /nfs/dbraw/zinc/32/11/20/1210321120.db2.gz RMMLISXQSNJGCS-NVXWUHKLSA-N 2 2 362.449 0.709 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071711 1225208156 /nfs/dbraw/zinc/20/81/56/1225208156.db2.gz HNZBQVGKKBIPSD-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071711 1225208162 /nfs/dbraw/zinc/20/81/62/1225208162.db2.gz HNZBQVGKKBIPSD-CVEARBPZSA-N 2 2 368.522 0.329 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221072980 1225210072 /nfs/dbraw/zinc/21/00/72/1225210072.db2.gz ALZSGKJBFSTIAT-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)C1=O ZINC001221072980 1225210076 /nfs/dbraw/zinc/21/00/76/1225210076.db2.gz ALZSGKJBFSTIAT-ZACQAIPSSA-N 2 2 366.506 0.033 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073447 1225211404 /nfs/dbraw/zinc/21/14/04/1225211404.db2.gz XGUFHGNTGHNHHW-BBWFWOEESA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073447 1225211407 /nfs/dbraw/zinc/21/14/07/1225211407.db2.gz XGUFHGNTGHNHHW-BBWFWOEESA-N 2 2 368.522 0.184 20 0 FCADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000877229832 1210440437 /nfs/dbraw/zinc/44/04/37/1210440437.db2.gz RDQZCMAYHLOJDJ-QGZVFWFLSA-N 2 2 355.442 0.875 20 0 FCADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000877229832 1210440442 /nfs/dbraw/zinc/44/04/42/1210440442.db2.gz RDQZCMAYHLOJDJ-QGZVFWFLSA-N 2 2 355.442 0.875 20 0 FCADLP CC(C)C[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)n1cc[nH+]c1 ZINC000877260293 1210441541 /nfs/dbraw/zinc/44/15/41/1210441541.db2.gz XJHILWXFZPIRQA-FPCVCCKLSA-N 2 2 361.446 0.864 20 0 FCADLP C[NH+]1CCN(C2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000877746773 1210449572 /nfs/dbraw/zinc/44/95/72/1210449572.db2.gz WXCZMUHQSWWMMA-UHFFFAOYSA-N 2 2 356.470 0.994 20 0 FCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570250 1210488391 /nfs/dbraw/zinc/48/83/91/1210488391.db2.gz DXEVMBSHSAOKRU-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570250 1210488394 /nfs/dbraw/zinc/48/83/94/1210488394.db2.gz DXEVMBSHSAOKRU-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570250 1210488400 /nfs/dbraw/zinc/48/84/00/1210488400.db2.gz DXEVMBSHSAOKRU-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570250 1210488411 /nfs/dbraw/zinc/48/84/11/1210488411.db2.gz DXEVMBSHSAOKRU-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC(N4CC[NH+](C)CC4)CC3)C2=O)n1 ZINC000879592759 1210491037 /nfs/dbraw/zinc/49/10/37/1210491037.db2.gz OTBNBOZPPRPZPA-QGZVFWFLSA-N 2 2 360.506 0.627 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)cc2)CC1 ZINC000879996635 1210509530 /nfs/dbraw/zinc/50/95/30/1210509530.db2.gz KIQVMGBQLVCIDV-IBGZPJMESA-N 2 2 360.502 0.621 20 0 FCADLP O=C(CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000880069309 1210513618 /nfs/dbraw/zinc/51/36/18/1210513618.db2.gz DVKZYJKTLNQUFI-ZWKOTPCHSA-N 2 2 373.501 0.261 20 0 FCADLP O=C(CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000880069309 1210513624 /nfs/dbraw/zinc/51/36/24/1210513624.db2.gz DVKZYJKTLNQUFI-ZWKOTPCHSA-N 2 2 373.501 0.261 20 0 FCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000883106570 1210653833 /nfs/dbraw/zinc/65/38/33/1210653833.db2.gz XNXSNQNPUXPYNG-GOSISDBHSA-N 2 2 373.501 0.968 20 0 FCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000883106570 1210653836 /nfs/dbraw/zinc/65/38/36/1210653836.db2.gz XNXSNQNPUXPYNG-GOSISDBHSA-N 2 2 373.501 0.968 20 0 FCADLP CO[C@@H]1COCC[C@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000883249063 1210660010 /nfs/dbraw/zinc/66/00/10/1210660010.db2.gz RMOKHDABWQWZJG-QZTJIDSGSA-N 2 2 368.522 0.990 20 0 FCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000883251488 1210660478 /nfs/dbraw/zinc/66/04/78/1210660478.db2.gz QSMHDMMVFJXKDU-MRXNPFEDSA-N 2 2 374.489 0.514 20 0 FCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000883251488 1210660488 /nfs/dbraw/zinc/66/04/88/1210660488.db2.gz QSMHDMMVFJXKDU-MRXNPFEDSA-N 2 2 374.489 0.514 20 0 FCADLP CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000883638357 1210677312 /nfs/dbraw/zinc/67/73/12/1210677312.db2.gz KEAZYTMTVXNHGT-SFHVURJKSA-N 2 2 358.486 0.700 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000884164161 1210718425 /nfs/dbraw/zinc/71/84/25/1210718425.db2.gz ZOUNAMDIMJNFGH-RYRKJORJSA-N 2 2 368.522 0.896 20 0 FCADLP COC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000884164161 1210718429 /nfs/dbraw/zinc/71/84/29/1210718429.db2.gz ZOUNAMDIMJNFGH-RYRKJORJSA-N 2 2 368.522 0.896 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1C(F)(F)F ZINC000884527968 1210745768 /nfs/dbraw/zinc/74/57/68/1210745768.db2.gz DEXJZMOESKZNCR-VXGBXAGGSA-N 2 2 369.347 0.546 20 0 FCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000884622278 1210765088 /nfs/dbraw/zinc/76/50/88/1210765088.db2.gz JXAPKIOWUVXRPR-LSDHHAIUSA-N 2 2 373.501 0.786 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884644256 1210771280 /nfs/dbraw/zinc/77/12/80/1210771280.db2.gz IYFPTSUCIIXDBJ-OXJNMPFZSA-N 2 2 371.485 0.769 20 0 FCADLP CC1(C)CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[NH2+]C1 ZINC000884643610 1210771681 /nfs/dbraw/zinc/77/16/81/1210771681.db2.gz MLLHSVUHCXBNDM-LSDHHAIUSA-N 2 2 359.474 0.671 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)cc1 ZINC000884675889 1210778091 /nfs/dbraw/zinc/77/80/91/1210778091.db2.gz ULSXXLUDJXIFDO-GOSISDBHSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC3CC[NH2+]CC3)C2)cc1 ZINC000884675889 1210778095 /nfs/dbraw/zinc/77/80/95/1210778095.db2.gz ULSXXLUDJXIFDO-GOSISDBHSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000884678506 1210778399 /nfs/dbraw/zinc/77/83/99/1210778399.db2.gz DKKYUVYSFLOHMM-ZWKOTPCHSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000884678506 1210778405 /nfs/dbraw/zinc/77/84/05/1210778405.db2.gz DKKYUVYSFLOHMM-ZWKOTPCHSA-N 2 2 374.485 0.166 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc1 ZINC000884715511 1210785741 /nfs/dbraw/zinc/78/57/41/1210785741.db2.gz VZRSMBMLSXJIPG-KRWDZBQOSA-N 2 2 374.485 0.310 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc1 ZINC000884715511 1210785754 /nfs/dbraw/zinc/78/57/54/1210785754.db2.gz VZRSMBMLSXJIPG-KRWDZBQOSA-N 2 2 374.485 0.310 20 0 FCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884717466 1210788026 /nfs/dbraw/zinc/78/80/26/1210788026.db2.gz BSHSRUXWBOOPGL-HYVNUMGLSA-N 2 2 355.442 0.855 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000884720658 1210788402 /nfs/dbraw/zinc/78/84/02/1210788402.db2.gz RMIHYLBOHOXNAE-HYVNUMGLSA-N 2 2 355.442 0.855 20 0 FCADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C[NH2+]1 ZINC000884818038 1210798856 /nfs/dbraw/zinc/79/88/56/1210798856.db2.gz WCZDPMWMYJHMOH-HYVNUMGLSA-N 2 2 355.442 0.997 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884887610 1210802830 /nfs/dbraw/zinc/80/28/30/1210802830.db2.gz BKCJCNQIZBIVGV-KRWDZBQOSA-N 2 2 357.458 0.808 20 0 FCADLP C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154213 1225241792 /nfs/dbraw/zinc/24/17/92/1225241792.db2.gz HBJLBAIFOUGPHR-NXHRZFHOSA-N 2 2 361.490 0.965 20 0 FCADLP C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154213 1225241799 /nfs/dbraw/zinc/24/17/99/1225241799.db2.gz HBJLBAIFOUGPHR-NXHRZFHOSA-N 2 2 361.490 0.965 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000885020231 1210809244 /nfs/dbraw/zinc/80/92/44/1210809244.db2.gz GJFKUNCFALGGIS-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000885020231 1210809245 /nfs/dbraw/zinc/80/92/45/1210809245.db2.gz GJFKUNCFALGGIS-ZWKOTPCHSA-N 2 2 374.485 0.262 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000885020455 1210809504 /nfs/dbraw/zinc/80/95/04/1210809504.db2.gz KBUVCIJGZWXKFI-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000885020455 1210809506 /nfs/dbraw/zinc/80/95/06/1210809506.db2.gz KBUVCIJGZWXKFI-NVXWUHKLSA-N 2 2 362.474 0.118 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)cc1 ZINC000885019924 1210809545 /nfs/dbraw/zinc/80/95/45/1210809545.db2.gz AYXBGLGFLLKKSZ-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C2)cc1 ZINC000885019924 1210809548 /nfs/dbraw/zinc/80/95/48/1210809548.db2.gz AYXBGLGFLLKKSZ-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000885022871 1210810109 /nfs/dbraw/zinc/81/01/09/1210810109.db2.gz TVDKZOBKIXVKLC-RANZSIQMSA-N 2 2 356.470 0.875 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000885022871 1210810110 /nfs/dbraw/zinc/81/01/10/1210810110.db2.gz TVDKZOBKIXVKLC-RANZSIQMSA-N 2 2 356.470 0.875 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885144254 1210812073 /nfs/dbraw/zinc/81/20/73/1210812073.db2.gz DHJYVGLRANBQCV-HNNXBMFYSA-N 2 2 363.462 0.007 20 0 FCADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000885161095 1210813490 /nfs/dbraw/zinc/81/34/90/1210813490.db2.gz AUMMEYKHRBQTPN-QGZVFWFLSA-N 2 2 367.453 0.877 20 0 FCADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000885155793 1210813726 /nfs/dbraw/zinc/81/37/26/1210813726.db2.gz BHXKNKMZVDPZDE-SJORKVTESA-N 2 2 367.453 0.946 20 0 FCADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000885227039 1210816036 /nfs/dbraw/zinc/81/60/36/1210816036.db2.gz DYZCOAIZOUAZEV-FXAWDEMLSA-N 2 2 367.453 0.953 20 0 FCADLP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000885227542 1210816459 /nfs/dbraw/zinc/81/64/59/1210816459.db2.gz JWCRRKMUNUBETF-RDJZCZTQSA-N 2 2 355.442 0.938 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)C2(O)CC[NH+](C)CC2)C3)n(C)n1 ZINC001274203209 1210911729 /nfs/dbraw/zinc/91/17/29/1210911729.db2.gz JZBBVSPEADVBNX-WBVHZDCISA-N 2 2 361.490 0.218 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)C2(O)CC[NH+](C)CC2)C3)n(C)n1 ZINC001274203209 1210911732 /nfs/dbraw/zinc/91/17/32/1210911732.db2.gz JZBBVSPEADVBNX-WBVHZDCISA-N 2 2 361.490 0.218 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889768940 1210949180 /nfs/dbraw/zinc/94/91/80/1210949180.db2.gz QGPCWRMCHIMBGT-UFYCRDLUSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889768940 1210949181 /nfs/dbraw/zinc/94/91/81/1210949181.db2.gz QGPCWRMCHIMBGT-UFYCRDLUSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000889768940 1210949183 /nfs/dbraw/zinc/94/91/83/1210949183.db2.gz QGPCWRMCHIMBGT-UFYCRDLUSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000889768940 1210949185 /nfs/dbraw/zinc/94/91/85/1210949185.db2.gz QGPCWRMCHIMBGT-UFYCRDLUSA-N 2 2 373.497 0.945 20 0 FCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000890372091 1210975739 /nfs/dbraw/zinc/97/57/39/1210975739.db2.gz FICAJQWIOWJIOE-UHFFFAOYSA-N 2 2 361.446 0.119 20 0 FCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC000890372091 1210975746 /nfs/dbraw/zinc/97/57/46/1210975746.db2.gz FICAJQWIOWJIOE-UHFFFAOYSA-N 2 2 361.446 0.119 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CCc4ccc(N)[nH+]c4)CC3)[C@H]2C1 ZINC001274231240 1211011804 /nfs/dbraw/zinc/01/18/04/1211011804.db2.gz SLAVJOSZMBLJLC-GJZGRUSLSA-N 2 2 357.458 0.265 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CCc4ccc(N)[nH+]c4)CC3)[C@H]2C1 ZINC001274231240 1211011808 /nfs/dbraw/zinc/01/18/08/1211011808.db2.gz SLAVJOSZMBLJLC-GJZGRUSLSA-N 2 2 357.458 0.265 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274419044 1211050124 /nfs/dbraw/zinc/05/01/24/1211050124.db2.gz PQDUESQEUJWZFF-KSZLIROESA-N 2 2 359.474 0.137 20 0 FCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001274419044 1211050127 /nfs/dbraw/zinc/05/01/27/1211050127.db2.gz PQDUESQEUJWZFF-KSZLIROESA-N 2 2 359.474 0.137 20 0 FCADLP CCC(CC)C[NH+]1CC2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001275071930 1211173664 /nfs/dbraw/zinc/17/36/64/1211173664.db2.gz ACGDREOGPOFACP-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP CCC(CC)C[NH+]1CC2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001275071930 1211173667 /nfs/dbraw/zinc/17/36/67/1211173667.db2.gz ACGDREOGPOFACP-UHFFFAOYSA-N 2 2 366.550 0.973 20 0 FCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149224 1211181620 /nfs/dbraw/zinc/18/16/20/1211181620.db2.gz VCVSIEQDTWBWJH-QFBILLFUSA-N 2 2 359.474 0.866 20 0 FCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@]3(CCN(CCn4cc[nH+]c4)C3=O)CC2)N1 ZINC001275149224 1211181624 /nfs/dbraw/zinc/18/16/24/1211181624.db2.gz VCVSIEQDTWBWJH-QFBILLFUSA-N 2 2 359.474 0.866 20 0 FCADLP COCCOC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001275171953 1211189110 /nfs/dbraw/zinc/18/91/10/1211189110.db2.gz PLUOVEDIWBVFTF-MJGOQNOKSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCN1C)C2 ZINC001275171953 1211189111 /nfs/dbraw/zinc/18/91/11/1211189111.db2.gz PLUOVEDIWBVFTF-MJGOQNOKSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001275171953 1211189113 /nfs/dbraw/zinc/18/91/13/1211189113.db2.gz PLUOVEDIWBVFTF-MJGOQNOKSA-N 2 2 368.522 0.167 20 0 FCADLP COCCOC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001275171953 1211189115 /nfs/dbraw/zinc/18/91/15/1211189115.db2.gz PLUOVEDIWBVFTF-MJGOQNOKSA-N 2 2 368.522 0.167 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275176153 1211189689 /nfs/dbraw/zinc/18/96/89/1211189689.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 2 2 365.566 0.498 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001275176153 1211189692 /nfs/dbraw/zinc/18/96/92/1211189692.db2.gz HGRQGDHCRJPPHL-AZUAARDMSA-N 2 2 365.566 0.498 20 0 FCADLP COc1ncc(C[N@H+]2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)cn1 ZINC001275365887 1211223703 /nfs/dbraw/zinc/22/37/03/1211223703.db2.gz QUQHOAAAALAJNM-GOSISDBHSA-N 2 2 356.430 0.806 20 0 FCADLP COC(CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)C1=O)OC ZINC001275392948 1211230189 /nfs/dbraw/zinc/23/01/89/1211230189.db2.gz XCYGXYNGQUYTHX-GOSISDBHSA-N 2 2 364.446 0.689 20 0 FCADLP COC(CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)C1=O)OC ZINC001275392948 1211230190 /nfs/dbraw/zinc/23/01/90/1211230190.db2.gz XCYGXYNGQUYTHX-GOSISDBHSA-N 2 2 364.446 0.689 20 0 FCADLP O=c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c[nH]1 ZINC001275441695 1211238508 /nfs/dbraw/zinc/23/85/08/1211238508.db2.gz SWUBWESCPLEGKB-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP O=c1ccc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)c[nH]1 ZINC001275441695 1211238511 /nfs/dbraw/zinc/23/85/11/1211238511.db2.gz SWUBWESCPLEGKB-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cn4ccccc4n3)C2)OCC1=O ZINC001275476495 1211247650 /nfs/dbraw/zinc/24/76/50/1211247650.db2.gz BDGNUKWEVXDGBC-IBGZPJMESA-N 2 2 357.458 0.699 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cn4ccccc4n3)C2)OCC1=O ZINC001275476495 1211247652 /nfs/dbraw/zinc/24/76/52/1211247652.db2.gz BDGNUKWEVXDGBC-IBGZPJMESA-N 2 2 357.458 0.699 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556226 1211256541 /nfs/dbraw/zinc/25/65/41/1211256541.db2.gz JKTSLOUILMNGJH-JEBQAFNWSA-N 2 2 373.444 0.854 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001275556226 1211256544 /nfs/dbraw/zinc/25/65/44/1211256544.db2.gz JKTSLOUILMNGJH-JEBQAFNWSA-N 2 2 373.444 0.854 20 0 FCADLP O=C1C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275738217 1211279135 /nfs/dbraw/zinc/27/91/35/1211279135.db2.gz VWOTWCZSPCHGHE-IBGZPJMESA-N 3 2 359.474 0.724 20 0 FCADLP O=C1C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001275738217 1211279137 /nfs/dbraw/zinc/27/91/37/1211279137.db2.gz VWOTWCZSPCHGHE-IBGZPJMESA-N 3 2 359.474 0.724 20 0 FCADLP Cc1c(CN2CC3(C2)COCC(=O)N3CC[NH+](C)C)[nH+]c2ccccn12 ZINC001275916338 1211309622 /nfs/dbraw/zinc/30/96/22/1211309622.db2.gz TVTJBMFZNRVHIZ-UHFFFAOYSA-N 2 2 357.458 0.618 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](Cc3cccnn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276036726 1211328507 /nfs/dbraw/zinc/32/85/07/1211328507.db2.gz ANBDEEDEMMKSRL-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](Cc3cccnn3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276036726 1211328508 /nfs/dbraw/zinc/32/85/08/1211328508.db2.gz ANBDEEDEMMKSRL-GOSISDBHSA-N 2 2 354.414 0.714 20 0 FCADLP Nc1nccnc1C[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276050079 1211340619 /nfs/dbraw/zinc/34/06/19/1211340619.db2.gz XRBKBUJUWYNMGS-GOSISDBHSA-N 2 2 355.446 0.913 20 0 FCADLP Nc1nccnc1C[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001276050079 1211340622 /nfs/dbraw/zinc/34/06/22/1211340622.db2.gz XRBKBUJUWYNMGS-GOSISDBHSA-N 2 2 355.446 0.913 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447535 1211348645 /nfs/dbraw/zinc/34/86/45/1211348645.db2.gz AMQRUSFKAMDIFS-SIXLDLHFSA-N 2 2 373.501 0.960 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095447535 1211348647 /nfs/dbraw/zinc/34/86/47/1211348647.db2.gz AMQRUSFKAMDIFS-SIXLDLHFSA-N 2 2 373.501 0.960 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247538 1211391942 /nfs/dbraw/zinc/39/19/42/1211391942.db2.gz PQTSMAPXHBBIGI-UGSOOPFHSA-N 2 2 362.430 0.570 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276247538 1211391945 /nfs/dbraw/zinc/39/19/45/1211391945.db2.gz PQTSMAPXHBBIGI-UGSOOPFHSA-N 2 2 362.430 0.570 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001095684439 1211447264 /nfs/dbraw/zinc/44/72/64/1211447264.db2.gz FEULTMRGDBKOSK-QPSCCSFWSA-N 2 2 360.458 0.142 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)C12CCC[NH+]1CCC2 ZINC001095684439 1211447265 /nfs/dbraw/zinc/44/72/65/1211447265.db2.gz FEULTMRGDBKOSK-QPSCCSFWSA-N 2 2 360.458 0.142 20 0 FCADLP C[NH+](C)C[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1=O ZINC000924455132 1211470087 /nfs/dbraw/zinc/47/00/87/1211470087.db2.gz QOJMGJSCFJOLOZ-INIZCTEOSA-N 2 2 373.457 0.572 20 0 FCADLP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000924705561 1211477760 /nfs/dbraw/zinc/47/77/60/1211477760.db2.gz FOHGSOQRJLCENQ-SFHVURJKSA-N 2 2 359.470 0.904 20 0 FCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926359661 1211538902 /nfs/dbraw/zinc/53/89/02/1211538902.db2.gz CVYLCPBBYAPDGB-JKSUJKDBSA-N 2 2 361.490 0.752 20 0 FCADLP COc1ccccc1[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1nnc(C)o1 ZINC001221337836 1225299719 /nfs/dbraw/zinc/29/97/19/1225299719.db2.gz RLIABRCZURVOBL-QITLCBANSA-N 2 2 357.414 0.544 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000929671817 1211654323 /nfs/dbraw/zinc/65/43/23/1211654323.db2.gz DZKOJEQVCFOWIQ-OAHLLOKOSA-N 2 2 357.462 0.885 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000929671817 1211654325 /nfs/dbraw/zinc/65/43/25/1211654325.db2.gz DZKOJEQVCFOWIQ-OAHLLOKOSA-N 2 2 357.462 0.885 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982198 1211687729 /nfs/dbraw/zinc/68/77/29/1211687729.db2.gz OISKQDGRZLPNNI-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110982198 1211687730 /nfs/dbraw/zinc/68/77/30/1211687730.db2.gz OISKQDGRZLPNNI-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000931882152 1211778298 /nfs/dbraw/zinc/77/82/98/1211778298.db2.gz JGQAVORXIRJOSP-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000931882152 1211778299 /nfs/dbraw/zinc/77/82/99/1211778299.db2.gz JGQAVORXIRJOSP-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934220251 1211859353 /nfs/dbraw/zinc/85/93/53/1211859353.db2.gz POBQSORRJHTPAS-KSZLIROESA-N 2 2 367.490 0.047 20 0 FCADLP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1=O ZINC000936010860 1211889465 /nfs/dbraw/zinc/88/94/65/1211889465.db2.gz NTYHSSUPQLJTEP-CQSZACIVSA-N 2 2 359.430 0.472 20 0 FCADLP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1=O ZINC000936010860 1211889467 /nfs/dbraw/zinc/88/94/67/1211889467.db2.gz NTYHSSUPQLJTEP-CQSZACIVSA-N 2 2 359.430 0.472 20 0 FCADLP C[NH+]1CCN(Cc2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2)CC1 ZINC000047304189 1211938543 /nfs/dbraw/zinc/93/85/43/1211938543.db2.gz IJERSUUQUHSGCL-UHFFFAOYSA-N 2 2 373.501 0.114 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741062 1211951572 /nfs/dbraw/zinc/95/15/72/1211951572.db2.gz PHNTXDWNOAHSOR-IRWJRLHMSA-N 2 2 368.441 0.737 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741062 1211951578 /nfs/dbraw/zinc/95/15/78/1211951578.db2.gz PHNTXDWNOAHSOR-IRWJRLHMSA-N 2 2 368.441 0.737 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772606 1211988057 /nfs/dbraw/zinc/98/80/57/1211988057.db2.gz XEHNTUVFBUVIRT-DYWXZXKOSA-N 2 2 359.474 0.747 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095772606 1211988065 /nfs/dbraw/zinc/98/80/65/1211988065.db2.gz XEHNTUVFBUVIRT-DYWXZXKOSA-N 2 2 359.474 0.747 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001095772408 1211988162 /nfs/dbraw/zinc/98/81/62/1211988162.db2.gz SXKDEHLKKQEIQD-KCMWZYNZSA-N 2 2 371.485 0.762 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001095772408 1211988166 /nfs/dbraw/zinc/98/81/66/1211988166.db2.gz SXKDEHLKKQEIQD-KCMWZYNZSA-N 2 2 371.485 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC000968604457 1212043172 /nfs/dbraw/zinc/04/31/72/1212043172.db2.gz JEMCZSRVXZGFGJ-CVEARBPZSA-N 2 2 368.397 0.070 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000947573822 1212045817 /nfs/dbraw/zinc/04/58/17/1212045817.db2.gz FRWYGHBHMHOBPX-GDBMZVCRSA-N 2 2 363.462 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000947573822 1212045822 /nfs/dbraw/zinc/04/58/22/1212045822.db2.gz FRWYGHBHMHOBPX-GDBMZVCRSA-N 2 2 363.462 0.100 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000968620825 1212049440 /nfs/dbraw/zinc/04/94/40/1212049440.db2.gz GBTRIWQFGZUBKE-IKGGRYGDSA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC000968620825 1212049445 /nfs/dbraw/zinc/04/94/45/1212049445.db2.gz GBTRIWQFGZUBKE-IKGGRYGDSA-N 2 2 371.441 0.349 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000948385025 1212165233 /nfs/dbraw/zinc/16/52/33/1212165233.db2.gz HJTSAMHFCNZKSH-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC[N@H+]1C ZINC000948385025 1212165235 /nfs/dbraw/zinc/16/52/35/1212165235.db2.gz HJTSAMHFCNZKSH-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC000948385025 1212165236 /nfs/dbraw/zinc/16/52/36/1212165236.db2.gz HJTSAMHFCNZKSH-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2)CC[NH+]1C ZINC000948385025 1212165238 /nfs/dbraw/zinc/16/52/38/1212165238.db2.gz HJTSAMHFCNZKSH-QLFBSQMISA-N 2 2 364.494 0.262 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)cc1 ZINC000968902947 1212172399 /nfs/dbraw/zinc/17/23/99/1212172399.db2.gz BUMBTFACUOCNNW-SJORKVTESA-N 2 2 371.441 0.016 20 0 FCADLP Cc1nonc1C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968914478 1212178406 /nfs/dbraw/zinc/17/84/06/1212178406.db2.gz VRHHMRDCBRCMIN-FRFSOERESA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nonc1C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968914478 1212178407 /nfs/dbraw/zinc/17/84/07/1212178407.db2.gz VRHHMRDCBRCMIN-FRFSOERESA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nonc1C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914478 1212178408 /nfs/dbraw/zinc/17/84/08/1212178408.db2.gz VRHHMRDCBRCMIN-FRFSOERESA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nonc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914478 1212178410 /nfs/dbraw/zinc/17/84/10/1212178410.db2.gz VRHHMRDCBRCMIN-FRFSOERESA-N 2 2 365.478 0.958 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276194 1212191101 /nfs/dbraw/zinc/19/11/01/1212191101.db2.gz ISGCXTJSVMVQOK-SRABZTEZSA-N 2 2 361.490 0.941 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111276194 1212191105 /nfs/dbraw/zinc/19/11/05/1212191105.db2.gz ISGCXTJSVMVQOK-SRABZTEZSA-N 2 2 361.490 0.941 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001111276213 1212192349 /nfs/dbraw/zinc/19/23/49/1212192349.db2.gz JJDOEIIOCNAHQI-SPUZQDLCSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1 ZINC001111276213 1212192352 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C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221772480 1225476347 /nfs/dbraw/zinc/47/63/47/1225476347.db2.gz CIZPYFBCFPFTDN-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001221772480 1225476348 /nfs/dbraw/zinc/47/63/48/1225476348.db2.gz CIZPYFBCFPFTDN-NVXWUHKLSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)OCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789023 1225481098 /nfs/dbraw/zinc/48/10/98/1225481098.db2.gz BYYJGCDXMHOLDE-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CC(C)OCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789023 1225481103 /nfs/dbraw/zinc/48/11/03/1225481103.db2.gz BYYJGCDXMHOLDE-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]21 ZINC001221789007 1225481386 /nfs/dbraw/zinc/48/13/86/1225481386.db2.gz BDNAYVAXWLMORE-RHSMWYFYSA-N 2 2 360.458 0.815 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(O)cc3)C[C@H]21 ZINC001221789007 1225481389 /nfs/dbraw/zinc/48/13/89/1225481389.db2.gz BDNAYVAXWLMORE-RHSMWYFYSA-N 2 2 360.458 0.815 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001221793090 1225482499 /nfs/dbraw/zinc/48/24/99/1225482499.db2.gz OFVZFZXZULTFRU-ZHALLVOQSA-N 2 2 364.534 0.974 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21)[NH+](C)C ZINC001221793090 1225482503 /nfs/dbraw/zinc/48/25/03/1225482503.db2.gz OFVZFZXZULTFRU-ZHALLVOQSA-N 2 2 364.534 0.974 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]21 ZINC001221791500 1225482903 /nfs/dbraw/zinc/48/29/03/1225482903.db2.gz ONIZZTRKFNARBO-ZIAGYGMSSA-N 2 2 367.494 0.095 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]21 ZINC001221791500 1225482910 /nfs/dbraw/zinc/48/29/10/1225482910.db2.gz ONIZZTRKFNARBO-ZIAGYGMSSA-N 2 2 367.494 0.095 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)CC[N@@H+]1C ZINC001014512839 1213971960 /nfs/dbraw/zinc/97/19/60/1213971960.db2.gz PBWOTKMKMVSYFH-NVQRDWNXSA-N 2 2 359.474 0.932 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)CC[N@H+]1C ZINC001014512839 1213971967 /nfs/dbraw/zinc/97/19/67/1213971967.db2.gz PBWOTKMKMVSYFH-NVQRDWNXSA-N 2 2 359.474 0.932 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@@H+]1C ZINC001014509005 1213972417 /nfs/dbraw/zinc/97/24/17/1213972417.db2.gz PMICQMNNNUWJIG-YESZJQIVSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)C2)CC[N@H+]1C ZINC001014509005 1213972424 /nfs/dbraw/zinc/97/24/24/1213972424.db2.gz PMICQMNNNUWJIG-YESZJQIVSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001014509005 1213972433 /nfs/dbraw/zinc/97/24/33/1213972433.db2.gz PMICQMNNNUWJIG-YESZJQIVSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)CC[NH+]1C ZINC001014509005 1213972435 /nfs/dbraw/zinc/97/24/35/1213972435.db2.gz PMICQMNNNUWJIG-YESZJQIVSA-N 2 2 366.506 0.202 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419124179 1214018400 /nfs/dbraw/zinc/01/84/00/1214018400.db2.gz XCTIRQWOLDFUPX-LJQANCHMSA-N 2 2 357.458 0.653 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2ncccn2)CC3)O1 ZINC001016685046 1214035787 /nfs/dbraw/zinc/03/57/87/1214035787.db2.gz LFMJDIWVTXYRQB-OAGGEKHMSA-N 2 2 359.474 0.666 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CC[NH+](Cc2ncccn2)CC3)O1 ZINC001016685046 1214035793 /nfs/dbraw/zinc/03/57/93/1214035793.db2.gz LFMJDIWVTXYRQB-OAGGEKHMSA-N 2 2 359.474 0.666 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001095915548 1214079601 /nfs/dbraw/zinc/07/96/01/1214079601.db2.gz GQGDNCUCPBELBF-VSZNYVQBSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2cnn(C)c2)C1 ZINC001095915548 1214079611 /nfs/dbraw/zinc/07/96/11/1214079611.db2.gz GQGDNCUCPBELBF-VSZNYVQBSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnn(C)c2)C1 ZINC001095915548 1214079615 /nfs/dbraw/zinc/07/96/15/1214079615.db2.gz GQGDNCUCPBELBF-VSZNYVQBSA-N 2 2 361.490 0.751 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnn(C)c2)C1 ZINC001095915548 1214079623 /nfs/dbraw/zinc/07/96/23/1214079623.db2.gz GQGDNCUCPBELBF-VSZNYVQBSA-N 2 2 361.490 0.751 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001019455101 1214250335 /nfs/dbraw/zinc/25/03/35/1214250335.db2.gz GQZZJZVXPPWGIW-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001019455101 1214250340 /nfs/dbraw/zinc/25/03/40/1214250340.db2.gz GQZZJZVXPPWGIW-BZUAXINKSA-N 2 2 371.485 0.679 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872313 1225515434 /nfs/dbraw/zinc/51/54/34/1225515434.db2.gz WVWRVANTCFCOFL-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872313 1225515437 /nfs/dbraw/zinc/51/54/37/1225515437.db2.gz WVWRVANTCFCOFL-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@@H+]1C ZINC001020174455 1214316444 /nfs/dbraw/zinc/31/64/44/1214316444.db2.gz BQKQSCFOJUNZKX-ZQDZILKHSA-N 2 2 363.510 0.895 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)CC[N@H+]1C ZINC001020174455 1214316455 /nfs/dbraw/zinc/31/64/55/1214316455.db2.gz BQKQSCFOJUNZKX-ZQDZILKHSA-N 2 2 363.510 0.895 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221878145 1225518918 /nfs/dbraw/zinc/51/89/18/1225518918.db2.gz CQGCZGVFYWJZJM-RBSFLKMASA-N 2 2 367.494 0.095 20 0 FCADLP 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CCC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057970634 1216615551 /nfs/dbraw/zinc/61/55/51/1216615551.db2.gz CZEOLFXDGVAWQO-HUUCEWRRSA-N 2 2 365.478 0.182 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067468856 1216682833 /nfs/dbraw/zinc/68/28/33/1216682833.db2.gz BPXYAYJRWMJQKE-GDBMZVCRSA-N 2 2 365.478 0.218 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067468856 1216682836 /nfs/dbraw/zinc/68/28/36/1216682836.db2.gz BPXYAYJRWMJQKE-GDBMZVCRSA-N 2 2 365.478 0.218 20 0 FCADLP CN(CCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067711369 1216694807 /nfs/dbraw/zinc/69/48/07/1216694807.db2.gz DZLARLSHFSWRJQ-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP CN(CCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067711369 1216694811 /nfs/dbraw/zinc/69/48/11/1216694811.db2.gz DZLARLSHFSWRJQ-HUUCEWRRSA-N 2 2 359.474 0.916 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221944 1225690453 /nfs/dbraw/zinc/69/04/53/1225690453.db2.gz LCZCYCGSTZMZPY-SJORKVTESA-N 2 2 361.490 0.968 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221944 1225690455 /nfs/dbraw/zinc/69/04/55/1225690455.db2.gz LCZCYCGSTZMZPY-SJORKVTESA-N 2 2 361.490 0.968 20 0 FCADLP Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)nc(C)[nH+]1 ZINC001068207638 1216723855 /nfs/dbraw/zinc/72/38/55/1216723855.db2.gz UNFXYAGBYOTMGZ-FYNNLBNCSA-N 2 2 359.474 0.611 20 0 FCADLP Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)nc(C)[nH+]1 ZINC001068207638 1216723860 /nfs/dbraw/zinc/72/38/60/1216723860.db2.gz UNFXYAGBYOTMGZ-FYNNLBNCSA-N 2 2 359.474 0.611 20 0 FCADLP CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001069845740 1216806152 /nfs/dbraw/zinc/80/61/52/1216806152.db2.gz LDBWOOMBLVGVEE-BFHYXJOUSA-N 2 2 357.462 0.746 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2cnn3c2C[NH+](CCC2CC2)CC3)O1 ZINC001069864320 1216806920 /nfs/dbraw/zinc/80/69/20/1216806920.db2.gz JMFDSXGXCPFLFG-RDTXWAMCSA-N 2 2 361.490 0.834 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2cnn3c2C[NH+](CCC2CC2)CC3)O1 ZINC001069864320 1216806923 /nfs/dbraw/zinc/80/69/23/1216806923.db2.gz JMFDSXGXCPFLFG-RDTXWAMCSA-N 2 2 361.490 0.834 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cnn3c2C[N@H+](CCC2CC2)CC3)O1 ZINC001069864320 1216806924 /nfs/dbraw/zinc/80/69/24/1216806924.db2.gz JMFDSXGXCPFLFG-RDTXWAMCSA-N 2 2 361.490 0.834 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCc2cnn3c2C[N@@H+](CCC2CC2)CC3)O1 ZINC001069864320 1216806926 /nfs/dbraw/zinc/80/69/26/1216806926.db2.gz JMFDSXGXCPFLFG-RDTXWAMCSA-N 2 2 361.490 0.834 20 0 FCADLP COCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959083 1216867653 /nfs/dbraw/zinc/86/76/53/1216867653.db2.gz BXWQWZHTIXKEAH-CVEARBPZSA-N 2 2 355.402 0.456 20 0 FCADLP COCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959083 1216867655 /nfs/dbraw/zinc/86/76/55/1216867655.db2.gz BXWQWZHTIXKEAH-CVEARBPZSA-N 2 2 355.402 0.456 20 0 FCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963300 1216870139 /nfs/dbraw/zinc/87/01/39/1216870139.db2.gz FBRWYKNDBAAHKD-OAGGEKHMSA-N 2 2 357.462 0.879 20 0 FCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](n2ccnn2)C1 ZINC001069963300 1216870143 /nfs/dbraw/zinc/87/01/43/1216870143.db2.gz FBRWYKNDBAAHKD-OAGGEKHMSA-N 2 2 357.462 0.879 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001069963439 1216870156 /nfs/dbraw/zinc/87/01/56/1216870156.db2.gz HPUJEPFWVCCAGH-XKQJLSEDSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)C2 ZINC001069963439 1216870157 /nfs/dbraw/zinc/87/01/57/1216870157.db2.gz HPUJEPFWVCCAGH-XKQJLSEDSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001069963439 1216870158 /nfs/dbraw/zinc/87/01/58/1216870158.db2.gz HPUJEPFWVCCAGH-XKQJLSEDSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1)CC2 ZINC001069963439 1216870162 /nfs/dbraw/zinc/87/01/62/1216870162.db2.gz HPUJEPFWVCCAGH-XKQJLSEDSA-N 2 2 357.462 0.865 20 0 FCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970503 1216876528 /nfs/dbraw/zinc/87/65/28/1216876528.db2.gz IZIFIHWTZBETTN-XYPHTWIQSA-N 2 2 369.429 0.616 20 0 FCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970503 1216876529 /nfs/dbraw/zinc/87/65/29/1216876529.db2.gz IZIFIHWTZBETTN-XYPHTWIQSA-N 2 2 369.429 0.616 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001069980234 1216881894 /nfs/dbraw/zinc/88/18/94/1216881894.db2.gz JNKAQSFQZCLARL-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001069980234 1216881896 /nfs/dbraw/zinc/88/18/96/1216881896.db2.gz JNKAQSFQZCLARL-SJORKVTESA-N 2 2 366.429 0.420 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC1 ZINC001070015229 1216898055 /nfs/dbraw/zinc/89/80/55/1216898055.db2.gz MDHAHPUAZHZXMA-MSOLQXFVSA-N 2 2 369.473 0.557 20 0 FCADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)CC1 ZINC001070015229 1216898058 /nfs/dbraw/zinc/89/80/58/1216898058.db2.gz MDHAHPUAZHZXMA-MSOLQXFVSA-N 2 2 369.473 0.557 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)NCC1CCC1 ZINC001223572527 1225716563 /nfs/dbraw/zinc/71/65/63/1225716563.db2.gz KMNLRZLJYDIBDP-WBVHZDCISA-N 2 2 359.474 0.791 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21)NCC1CCC1 ZINC001223572527 1225716570 /nfs/dbraw/zinc/71/65/70/1225716570.db2.gz KMNLRZLJYDIBDP-WBVHZDCISA-N 2 2 359.474 0.791 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223571993 1225716677 /nfs/dbraw/zinc/71/66/77/1225716677.db2.gz AKVNLYBCNYQMDD-NJAFHUGGSA-N 2 2 364.490 0.909 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223571993 1225716684 /nfs/dbraw/zinc/71/66/84/1225716684.db2.gz AKVNLYBCNYQMDD-NJAFHUGGSA-N 2 2 364.490 0.909 20 0 FCADLP COCCOC[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276913681 1225728214 /nfs/dbraw/zinc/72/82/14/1225728214.db2.gz GNKBYKULNXPRIT-IBGZPJMESA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001276913681 1225728218 /nfs/dbraw/zinc/72/82/18/1225728218.db2.gz GNKBYKULNXPRIT-IBGZPJMESA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276913681 1225728224 /nfs/dbraw/zinc/72/82/24/1225728224.db2.gz GNKBYKULNXPRIT-IBGZPJMESA-N 2 2 368.522 0.169 20 0 FCADLP COCCOC[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276913681 1225728227 /nfs/dbraw/zinc/72/82/27/1225728227.db2.gz GNKBYKULNXPRIT-IBGZPJMESA-N 2 2 368.522 0.169 20 0 FCADLP CCc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)nc(C)[nH+]1 ZINC001041250771 1217254305 /nfs/dbraw/zinc/25/43/05/1217254305.db2.gz NZXLOHIOBYUZCK-IAGOWNOFSA-N 2 2 366.425 0.975 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001041794862 1217362191 /nfs/dbraw/zinc/36/21/91/1217362191.db2.gz NOPTXHMOZBHLMX-XYPHTWIQSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001041794862 1217362194 /nfs/dbraw/zinc/36/21/94/1217362194.db2.gz NOPTXHMOZBHLMX-XYPHTWIQSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001041794862 1217362199 /nfs/dbraw/zinc/36/21/99/1217362199.db2.gz NOPTXHMOZBHLMX-XYPHTWIQSA-N 2 2 358.490 0.500 20 0 FCADLP C[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001041794862 1217362206 /nfs/dbraw/zinc/36/22/06/1217362206.db2.gz NOPTXHMOZBHLMX-XYPHTWIQSA-N 2 2 358.490 0.500 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911261 1225745185 /nfs/dbraw/zinc/74/51/85/1225745185.db2.gz CDVQWJGEYNLSSX-WBVHZDCISA-N 2 2 361.490 0.752 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001223911261 1225745187 /nfs/dbraw/zinc/74/51/87/1225745187.db2.gz CDVQWJGEYNLSSX-WBVHZDCISA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043563970 1217675456 /nfs/dbraw/zinc/67/54/56/1217675456.db2.gz KIHWWFYFTHIGJD-RGCMKSIDSA-N 2 2 357.462 0.962 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001043563970 1217675463 /nfs/dbraw/zinc/67/54/63/1217675463.db2.gz KIHWWFYFTHIGJD-RGCMKSIDSA-N 2 2 357.462 0.962 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140565 1225759851 /nfs/dbraw/zinc/75/98/51/1225759851.db2.gz QKPHKLYVQOXKPP-BBWFWOEESA-N 2 2 366.506 0.014 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140565 1225759854 /nfs/dbraw/zinc/75/98/54/1225759854.db2.gz QKPHKLYVQOXKPP-BBWFWOEESA-N 2 2 366.506 0.014 20 0 FCADLP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1C[NH+](CCn2cncn2)C1 ZINC001043941563 1217778095 /nfs/dbraw/zinc/77/80/95/1217778095.db2.gz DCNFGSOOBZNNMR-MOPGFXCFSA-N 2 2 368.485 0.766 20 0 FCADLP CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1C[NH+](CCn2cncn2)C1 ZINC001043941563 1217778097 /nfs/dbraw/zinc/77/80/97/1217778097.db2.gz DCNFGSOOBZNNMR-MOPGFXCFSA-N 2 2 368.485 0.766 20 0 FCADLP Cc1nc(N2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001044193720 1217815901 /nfs/dbraw/zinc/81/59/01/1217815901.db2.gz BRVJBYWDQINBAX-SJORKVTESA-N 2 2 361.490 0.799 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CN(c3cc(C)[nH+]c(C)n3)C[C@@H]1O)CC2 ZINC001044442193 1217846737 /nfs/dbraw/zinc/84/67/37/1217846737.db2.gz URFYLOHUWCDGRY-UAGQMJEPSA-N 2 2 370.457 0.527 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC001045444946 1217930128 /nfs/dbraw/zinc/93/01/28/1217930128.db2.gz LTWHPJNVJJYFFC-ZIAGYGMSSA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC001045444946 1217930132 /nfs/dbraw/zinc/93/01/32/1217930132.db2.gz LTWHPJNVJJYFFC-ZIAGYGMSSA-N 2 2 364.494 0.947 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045479226 1217932177 /nfs/dbraw/zinc/93/21/77/1217932177.db2.gz XWTHQPSFQQZHSD-IIAWOOMASA-N 2 2 366.506 0.343 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045479226 1217932184 /nfs/dbraw/zinc/93/21/84/1217932184.db2.gz XWTHQPSFQQZHSD-IIAWOOMASA-N 2 2 366.506 0.343 20 0 FCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056928 1217958181 /nfs/dbraw/zinc/95/81/81/1217958181.db2.gz AOORJTQYNYWLDO-FXAWDEMLSA-N 2 2 374.485 0.661 20 0 FCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000900056928 1217958185 /nfs/dbraw/zinc/95/81/85/1217958185.db2.gz AOORJTQYNYWLDO-FXAWDEMLSA-N 2 2 374.485 0.661 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001045850102 1217968054 /nfs/dbraw/zinc/96/80/54/1217968054.db2.gz PYJKLRPOYSKHMT-YYIAUSFCSA-N 2 2 371.485 0.868 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001045850102 1217968056 /nfs/dbraw/zinc/96/80/56/1217968056.db2.gz PYJKLRPOYSKHMT-YYIAUSFCSA-N 2 2 371.485 0.868 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900747533 1218033485 /nfs/dbraw/zinc/03/34/85/1218033485.db2.gz RJPUMELILNWNPZ-JTDSTZFVSA-N 2 2 361.490 0.163 20 0 FCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900747533 1218033487 /nfs/dbraw/zinc/03/34/87/1218033487.db2.gz RJPUMELILNWNPZ-JTDSTZFVSA-N 2 2 361.490 0.163 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420737 1218035355 /nfs/dbraw/zinc/03/53/55/1218035355.db2.gz JMCOOGXIJCKIMP-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420737 1218035359 /nfs/dbraw/zinc/03/53/59/1218035359.db2.gz JMCOOGXIJCKIMP-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420737 1218035363 /nfs/dbraw/zinc/03/53/63/1218035363.db2.gz JMCOOGXIJCKIMP-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP COc1ccc(C[NH+]2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cn1 ZINC001046420737 1218035365 /nfs/dbraw/zinc/03/53/65/1218035365.db2.gz JMCOOGXIJCKIMP-IDHHARJASA-N 2 2 362.474 0.890 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842007 1218045580 /nfs/dbraw/zinc/04/55/80/1218045580.db2.gz GBEMIRSGEQUJNL-IAGOWNOFSA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000900842007 1218045586 /nfs/dbraw/zinc/04/55/86/1218045586.db2.gz GBEMIRSGEQUJNL-IAGOWNOFSA-N 2 2 367.490 0.442 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000900914658 1218052508 /nfs/dbraw/zinc/05/25/08/1218052508.db2.gz HCLPVERIPZLNRW-QGZVFWFLSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000900914658 1218052512 /nfs/dbraw/zinc/05/25/12/1218052512.db2.gz HCLPVERIPZLNRW-QGZVFWFLSA-N 2 2 369.506 0.831 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000900934899 1218059280 /nfs/dbraw/zinc/05/92/80/1218059280.db2.gz BARSTTUCWZMMRC-MRXNPFEDSA-N 2 2 367.490 0.585 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000900934899 1218059284 /nfs/dbraw/zinc/05/92/84/1218059284.db2.gz BARSTTUCWZMMRC-MRXNPFEDSA-N 2 2 367.490 0.585 20 0 FCADLP CN(C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001046633220 1218059891 /nfs/dbraw/zinc/05/98/91/1218059891.db2.gz OGGGHOYQKIZHQG-SPYBWZPUSA-N 2 2 359.474 0.725 20 0 FCADLP CN(C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CC1 ZINC001046633220 1218059894 /nfs/dbraw/zinc/05/98/94/1218059894.db2.gz OGGGHOYQKIZHQG-SPYBWZPUSA-N 2 2 359.474 0.725 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)CCC2(F)F)CC[N@@H+]1C ZINC001046940923 1218089190 /nfs/dbraw/zinc/08/91/90/1218089190.db2.gz DUDXPJONNBRUEP-UMVBOHGHSA-N 2 2 370.448 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)CCC2(F)F)CC[N@H+]1C ZINC001046940923 1218089193 /nfs/dbraw/zinc/08/91/93/1218089193.db2.gz DUDXPJONNBRUEP-UMVBOHGHSA-N 2 2 370.448 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)CCC2(F)F)CC[NH+]1C ZINC001046940923 1218089196 /nfs/dbraw/zinc/08/91/96/1218089196.db2.gz DUDXPJONNBRUEP-UMVBOHGHSA-N 2 2 370.448 0.729 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)CCC2(F)F)CC[NH+]1C ZINC001046940923 1218089200 /nfs/dbraw/zinc/08/92/00/1218089200.db2.gz DUDXPJONNBRUEP-UMVBOHGHSA-N 2 2 370.448 0.729 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249063 1218184957 /nfs/dbraw/zinc/18/49/57/1218184957.db2.gz JYXDVGAAGQSBDM-QZWWFDLISA-N 2 2 368.441 0.866 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001096249063 1218184966 /nfs/dbraw/zinc/18/49/66/1218184966.db2.gz JYXDVGAAGQSBDM-QZWWFDLISA-N 2 2 368.441 0.866 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048890186 1218335605 /nfs/dbraw/zinc/33/56/05/1218335605.db2.gz FTHASUHOEMNDRX-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048890186 1218335613 /nfs/dbraw/zinc/33/56/13/1218335613.db2.gz FTHASUHOEMNDRX-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048890186 1218335619 /nfs/dbraw/zinc/33/56/19/1218335619.db2.gz FTHASUHOEMNDRX-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)n1 ZINC001048890186 1218335626 /nfs/dbraw/zinc/33/56/26/1218335626.db2.gz FTHASUHOEMNDRX-WCXIOVBPSA-N 2 2 359.474 0.394 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]2C1 ZINC001049068023 1218374528 /nfs/dbraw/zinc/37/45/28/1218374528.db2.gz IFMQNFKRWSKCMP-CYGHRXIMSA-N 2 2 368.485 0.890 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]2C1 ZINC001049068023 1218374534 /nfs/dbraw/zinc/37/45/34/1218374534.db2.gz IFMQNFKRWSKCMP-CYGHRXIMSA-N 2 2 368.485 0.890 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)cn1 ZINC001049068480 1218374569 /nfs/dbraw/zinc/37/45/69/1218374569.db2.gz UOVYWDDZYLZBHY-XMTFNYHQSA-N 2 2 368.485 0.890 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]cn4C)C[C@H]3C2)cn1 ZINC001049068480 1218374572 /nfs/dbraw/zinc/37/45/72/1218374572.db2.gz UOVYWDDZYLZBHY-XMTFNYHQSA-N 2 2 368.485 0.890 20 0 FCADLP Cc1cc(N2CCC[C@H](N3CC[NH+](C[C@@H]4C[NH2+]C[C@H]4C)CC3)C2=O)n(C)n1 ZINC000903457551 1218416350 /nfs/dbraw/zinc/41/63/50/1218416350.db2.gz WTGNBDZOBNDFKD-NJAFHUGGSA-N 2 2 374.533 0.697 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547216 1218483475 /nfs/dbraw/zinc/48/34/75/1218483475.db2.gz BTNFUPXJGZZULO-XLNGHYISSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2cnnn2C)O1 ZINC001049547216 1218483478 /nfs/dbraw/zinc/48/34/78/1218483478.db2.gz BTNFUPXJGZZULO-XLNGHYISSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cnnn2C)O1 ZINC001049547216 1218483481 /nfs/dbraw/zinc/48/34/81/1218483481.db2.gz BTNFUPXJGZZULO-XLNGHYISSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cnnn2C)O1 ZINC001049547216 1218483483 /nfs/dbraw/zinc/48/34/83/1218483483.db2.gz BTNFUPXJGZZULO-XLNGHYISSA-N 2 2 362.478 0.100 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548590 1218485140 /nfs/dbraw/zinc/48/51/40/1218485140.db2.gz KDBBTAQYEWTMCU-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548590 1218485146 /nfs/dbraw/zinc/48/51/46/1218485146.db2.gz KDBBTAQYEWTMCU-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccnn2C)O1 ZINC001049548590 1218485154 /nfs/dbraw/zinc/48/51/54/1218485154.db2.gz KDBBTAQYEWTMCU-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2ccnn2C)O1 ZINC001049548590 1218485157 /nfs/dbraw/zinc/48/51/57/1218485157.db2.gz KDBBTAQYEWTMCU-LAVFITLUSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548587 1218485923 /nfs/dbraw/zinc/48/59/23/1218485923.db2.gz KDBBTAQYEWTMCU-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2ccnn2C)O1 ZINC001049548587 1218485933 /nfs/dbraw/zinc/48/59/33/1218485933.db2.gz KDBBTAQYEWTMCU-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2ccnn2C)O1 ZINC001049548587 1218485942 /nfs/dbraw/zinc/48/59/42/1218485942.db2.gz KDBBTAQYEWTMCU-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2ccnn2C)O1 ZINC001049548587 1218485953 /nfs/dbraw/zinc/48/59/53/1218485953.db2.gz KDBBTAQYEWTMCU-BZZMCLGOSA-N 2 2 361.490 0.705 20 0 FCADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225946988 1225829170 /nfs/dbraw/zinc/82/91/70/1225829170.db2.gz NYYUACSVZDCWLA-CHWSQXEVSA-N 2 2 364.450 0.205 20 0 FCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225962012 1225829584 /nfs/dbraw/zinc/82/95/84/1225829584.db2.gz UPDHHSLSOLCXPI-BZUAXINKSA-N 2 2 368.478 0.383 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444883 1218806353 /nfs/dbraw/zinc/80/63/53/1218806353.db2.gz MQZTZDJZXYKKLQ-MXASKKJJSA-N 2 2 353.426 0.948 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O)c1ccn2c[nH+]cc2c1 ZINC001097444883 1218806355 /nfs/dbraw/zinc/80/63/55/1218806355.db2.gz MQZTZDJZXYKKLQ-MXASKKJJSA-N 2 2 353.426 0.948 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001097638612 1218832289 /nfs/dbraw/zinc/83/22/89/1218832289.db2.gz ANTQMYYQACRPPP-APIJFGDWSA-N 2 2 362.474 0.388 20 0 FCADLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001097638612 1218832290 /nfs/dbraw/zinc/83/22/90/1218832290.db2.gz ANTQMYYQACRPPP-APIJFGDWSA-N 2 2 362.474 0.388 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CC(=O)N1CCC1)C2 ZINC001097845277 1218850730 /nfs/dbraw/zinc/85/07/30/1218850730.db2.gz DLZSWZNVRXLBOD-IDCNUPLLSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CC(=O)N1CCC1)C2 ZINC001097845277 1218850731 /nfs/dbraw/zinc/85/07/31/1218850731.db2.gz DLZSWZNVRXLBOD-IDCNUPLLSA-N 2 2 371.485 0.708 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCn1cncn1)C2 ZINC001097858069 1218853724 /nfs/dbraw/zinc/85/37/24/1218853724.db2.gz KMLYACIWCOZXKY-IDCNUPLLSA-N 2 2 369.473 0.767 20 0 FCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1[N@H+]3CCn1cncn1)C2 ZINC001097858069 1218853726 /nfs/dbraw/zinc/85/37/26/1218853726.db2.gz KMLYACIWCOZXKY-IDCNUPLLSA-N 2 2 369.473 0.767 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1Nc1ncccn1 ZINC001052736294 1218861916 /nfs/dbraw/zinc/86/19/16/1218861916.db2.gz BAMNLZQQAOYYTN-HZPDHXFCSA-N 2 2 369.473 0.958 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](Nc3ncccn3)C2)C1 ZINC001052750298 1218863559 /nfs/dbraw/zinc/86/35/59/1218863559.db2.gz MMULCOYWCFCLMA-ARFHVFGLSA-N 2 2 369.473 0.958 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](Nc3ncccn3)C2)C1 ZINC001052750298 1218863561 /nfs/dbraw/zinc/86/35/61/1218863561.db2.gz MMULCOYWCFCLMA-ARFHVFGLSA-N 2 2 369.473 0.958 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(N)=O ZINC001111456521 1218872739 /nfs/dbraw/zinc/87/27/39/1218872739.db2.gz IAXPCJXYWDRDDJ-BMFZPTHFSA-N 2 2 373.457 0.278 20 0 FCADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(N)=O ZINC001111456521 1218872740 /nfs/dbraw/zinc/87/27/40/1218872740.db2.gz IAXPCJXYWDRDDJ-BMFZPTHFSA-N 2 2 373.457 0.278 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001054407285 1218917703 /nfs/dbraw/zinc/91/77/03/1218917703.db2.gz GJBCNIQURASHSN-VHDGCEQUSA-N 2 2 361.494 0.704 20 0 FCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)[nH+]1 ZINC001054407285 1218917707 /nfs/dbraw/zinc/91/77/07/1218917707.db2.gz GJBCNIQURASHSN-VHDGCEQUSA-N 2 2 361.494 0.704 20 0 FCADLP C[N@@H+]1CCc2ncnc(N3[C@@H]4CC[C@H]3[C@@H](NC(=O)C[NH+]3CCCC3)C4)c2C1 ZINC001055031871 1218978800 /nfs/dbraw/zinc/97/88/00/1218978800.db2.gz AFTSACIFUOZSDS-JLSDUUJJSA-N 2 2 370.501 0.786 20 0 FCADLP C[N@H+]1CCc2ncnc(N3[C@@H]4CC[C@H]3[C@@H](NC(=O)C[NH+]3CCCC3)C4)c2C1 ZINC001055031871 1218978809 /nfs/dbraw/zinc/97/88/09/1218978809.db2.gz AFTSACIFUOZSDS-JLSDUUJJSA-N 2 2 370.501 0.786 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1)NC1CC1 ZINC001227164445 1225864922 /nfs/dbraw/zinc/86/49/22/1225864922.db2.gz BVAADZZHAAKZOR-NUEKZKHPSA-N 2 2 359.474 0.741 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000804063064 1219117442 /nfs/dbraw/zinc/11/74/42/1219117442.db2.gz OYDZZFFWXHTOQS-HRCADAONSA-N 2 2 361.446 0.026 20 0 FCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000804063064 1219117448 /nfs/dbraw/zinc/11/74/48/1219117448.db2.gz OYDZZFFWXHTOQS-HRCADAONSA-N 2 2 361.446 0.026 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001070076869 1219144761 /nfs/dbraw/zinc/14/47/61/1219144761.db2.gz YYOLXUNRPUCJGD-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001070076869 1219144763 /nfs/dbraw/zinc/14/47/63/1219144763.db2.gz YYOLXUNRPUCJGD-SJORKVTESA-N 2 2 357.462 0.786 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001070098785 1219170108 /nfs/dbraw/zinc/17/01/08/1219170108.db2.gz SPYCRFGZVRCXIK-SJORKVTESA-N 2 2 362.478 0.285 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001070098785 1219170109 /nfs/dbraw/zinc/17/01/09/1219170109.db2.gz SPYCRFGZVRCXIK-SJORKVTESA-N 2 2 362.478 0.285 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001070109448 1219184646 /nfs/dbraw/zinc/18/46/46/1219184646.db2.gz XIQALTGOPHHYAZ-KGLIPLIRSA-N 2 2 365.388 0.562 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001070109448 1219184653 /nfs/dbraw/zinc/18/46/53/1219184653.db2.gz XIQALTGOPHHYAZ-KGLIPLIRSA-N 2 2 365.388 0.562 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cc3c[nH]c[nH+]3)CCOCC2)CC[N@@H+]1C ZINC001070133547 1219209040 /nfs/dbraw/zinc/20/90/40/1219209040.db2.gz DVVVQMJKDUONKT-UKRRQHHQSA-N 2 2 363.462 0.074 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC2(CNC(=O)Cc3c[nH]c[nH+]3)CCOCC2)CC[N@H+]1C ZINC001070133547 1219209047 /nfs/dbraw/zinc/20/90/47/1219209047.db2.gz DVVVQMJKDUONKT-UKRRQHHQSA-N 2 2 363.462 0.074 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)C2 ZINC001070222535 1219304328 /nfs/dbraw/zinc/30/43/28/1219304328.db2.gz PHTJRHIWGXBVOT-XKQJLSEDSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C1)CC2 ZINC001070222535 1219304333 /nfs/dbraw/zinc/30/43/33/1219304333.db2.gz PHTJRHIWGXBVOT-XKQJLSEDSA-N 2 2 357.462 0.865 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001070234716 1219310485 /nfs/dbraw/zinc/31/04/85/1219310485.db2.gz DBHDYVZZCDGJQN-CVEARBPZSA-N 2 2 370.417 0.321 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070311122 1219368132 /nfs/dbraw/zinc/36/81/32/1219368132.db2.gz OHJMGDFZELSSQS-MSOLQXFVSA-N 2 2 365.441 0.796 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001070333531 1219382873 /nfs/dbraw/zinc/38/28/73/1219382873.db2.gz DASABUGVJXTEAA-IXDOHACOSA-N 2 2 360.437 0.892 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CCc2cccs2)[C@@H](n2ccnn2)C1 ZINC001070338213 1219386738 /nfs/dbraw/zinc/38/67/38/1219386738.db2.gz XKPMINGNAUTXLN-CVEARBPZSA-N 2 2 371.470 0.821 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953809 1225891802 /nfs/dbraw/zinc/89/18/02/1225891802.db2.gz LEKOGBAGDQIIFJ-HLLBOEOZSA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953809 1225891804 /nfs/dbraw/zinc/89/18/04/1225891804.db2.gz LEKOGBAGDQIIFJ-HLLBOEOZSA-N 2 2 368.522 0.541 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953856 1225891956 /nfs/dbraw/zinc/89/19/56/1225891956.db2.gz NTKDTRKDFGUPCR-HLLBOEOZSA-N 2 2 368.522 0.447 20 0 FCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953856 1225891957 /nfs/dbraw/zinc/89/19/57/1225891957.db2.gz NTKDTRKDFGUPCR-HLLBOEOZSA-N 2 2 368.522 0.447 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070549411 1219464468 /nfs/dbraw/zinc/46/44/68/1219464468.db2.gz CXJQNKYNKBWMHW-GOEBONIOSA-N 2 2 368.445 0.167 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2ccns2)c1 ZINC001070570456 1219474813 /nfs/dbraw/zinc/47/48/13/1219474813.db2.gz QEBRHEFEUYNPGS-GOEBONIOSA-N 2 2 371.470 0.858 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]Cc1ccon1 ZINC001070629710 1219494278 /nfs/dbraw/zinc/49/42/78/1219494278.db2.gz SEQGQLZRIZMAQF-OAGGEKHMSA-N 2 2 358.446 0.587 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccon1 ZINC001070629710 1219494282 /nfs/dbraw/zinc/49/42/82/1219494282.db2.gz SEQGQLZRIZMAQF-OAGGEKHMSA-N 2 2 358.446 0.587 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCF ZINC001070690692 1219527857 /nfs/dbraw/zinc/52/78/57/1219527857.db2.gz HVTZOWKGXAAQRH-KBUPBQIOSA-N 2 2 360.437 0.811 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001070695221 1219529866 /nfs/dbraw/zinc/52/98/66/1219529866.db2.gz UXLVILZBDCNOIF-HZPDHXFCSA-N 2 2 368.445 0.204 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911580 1219563988 /nfs/dbraw/zinc/56/39/88/1219563988.db2.gz FKVZIBNZVCNFDZ-ZNMIVQPWSA-N 2 2 361.446 0.858 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070911580 1219563995 /nfs/dbraw/zinc/56/39/95/1219563995.db2.gz FKVZIBNZVCNFDZ-ZNMIVQPWSA-N 2 2 361.446 0.858 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070922864 1219579616 /nfs/dbraw/zinc/57/96/16/1219579616.db2.gz PMQVQCZKCPPWAW-BMFZPTHFSA-N 2 2 361.446 0.777 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070922864 1219579619 /nfs/dbraw/zinc/57/96/19/1219579619.db2.gz PMQVQCZKCPPWAW-BMFZPTHFSA-N 2 2 361.446 0.777 20 0 FCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070924905 1219582386 /nfs/dbraw/zinc/58/23/86/1219582386.db2.gz XVJKULWOKXIYKE-OAGGEKHMSA-N 2 2 361.446 0.707 20 0 FCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001070924905 1219582389 /nfs/dbraw/zinc/58/23/89/1219582389.db2.gz XVJKULWOKXIYKE-OAGGEKHMSA-N 2 2 361.446 0.707 20 0 FCADLP O=C(CC[NH+]1CCOCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000725714521 1219616907 /nfs/dbraw/zinc/61/69/07/1219616907.db2.gz WZTFRYNJJKQPBH-UHFFFAOYSA-N 3 2 361.490 0.432 20 0 FCADLP Cn1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)cc1=O ZINC001072828544 1219623776 /nfs/dbraw/zinc/62/37/76/1219623776.db2.gz DSEXGHSXHIAMLN-HZPDHXFCSA-N 2 2 367.453 0.946 20 0 FCADLP Cn1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C3)C2)cc1=O ZINC001072828544 1219623780 /nfs/dbraw/zinc/62/37/80/1219623780.db2.gz DSEXGHSXHIAMLN-HZPDHXFCSA-N 2 2 367.453 0.946 20 0 FCADLP Cn1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C3)C2)cc1=O ZINC001072828544 1219623783 /nfs/dbraw/zinc/62/37/83/1219623783.db2.gz DSEXGHSXHIAMLN-HZPDHXFCSA-N 2 2 367.453 0.946 20 0 FCADLP Cn1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C3)C2)cc1=O ZINC001072828544 1219623785 /nfs/dbraw/zinc/62/37/85/1219623785.db2.gz DSEXGHSXHIAMLN-HZPDHXFCSA-N 2 2 367.453 0.946 20 0 FCADLP Cc1nnc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849519 1219624447 /nfs/dbraw/zinc/62/44/47/1219624447.db2.gz FLYCOZGBKISWRA-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1nnc([C@@H](C)[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849519 1219624449 /nfs/dbraw/zinc/62/44/49/1219624449.db2.gz FLYCOZGBKISWRA-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1nnc([C@@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849519 1219624451 /nfs/dbraw/zinc/62/44/51/1219624451.db2.gz FLYCOZGBKISWRA-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1nnc([C@@H](C)[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)o1 ZINC001072849519 1219624453 /nfs/dbraw/zinc/62/44/53/1219624453.db2.gz FLYCOZGBKISWRA-UMVBOHGHSA-N 2 2 363.462 0.692 20 0 FCADLP Cc1nccnc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850457 1219624581 /nfs/dbraw/zinc/62/45/81/1219624581.db2.gz YMXMKVNQTGQECX-RHSMWYFYSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850457 1219624584 /nfs/dbraw/zinc/62/45/84/1219624584.db2.gz YMXMKVNQTGQECX-RHSMWYFYSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850457 1219624586 /nfs/dbraw/zinc/62/45/86/1219624586.db2.gz YMXMKVNQTGQECX-RHSMWYFYSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1nccnc1C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850457 1219624589 /nfs/dbraw/zinc/62/45/89/1219624589.db2.gz YMXMKVNQTGQECX-RHSMWYFYSA-N 2 2 359.474 0.538 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2 ZINC001072994582 1219629997 /nfs/dbraw/zinc/62/99/97/1219629997.db2.gz ILXDEWNAFYHTER-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCN1CCCC1=O)C2 ZINC001072994582 1219629999 /nfs/dbraw/zinc/62/99/99/1219629999.db2.gz ILXDEWNAFYHTER-HZPDHXFCSA-N 2 2 371.485 0.680 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072996016 1219630752 /nfs/dbraw/zinc/63/07/52/1219630752.db2.gz KFRFHONVVVHTIK-NUEKZKHPSA-N 2 2 371.485 0.725 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072996016 1219630754 /nfs/dbraw/zinc/63/07/54/1219630754.db2.gz KFRFHONVVVHTIK-NUEKZKHPSA-N 2 2 371.485 0.725 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)CCCO2)CC[N@@H+]1C ZINC001073605911 1219671998 /nfs/dbraw/zinc/67/19/98/1219671998.db2.gz YOGZCXKYXXLCFT-IXDOHACOSA-N 2 2 364.494 0.253 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cnnn3C)CCCO2)CC[N@H+]1C ZINC001073605911 1219671999 /nfs/dbraw/zinc/67/19/99/1219671999.db2.gz YOGZCXKYXXLCFT-IXDOHACOSA-N 2 2 364.494 0.253 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)CCCO2)CC[NH+]1C ZINC001073605911 1219672004 /nfs/dbraw/zinc/67/20/04/1219672004.db2.gz YOGZCXKYXXLCFT-IXDOHACOSA-N 2 2 364.494 0.253 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnnn3C)CCCO2)CC[NH+]1C ZINC001073605911 1219672006 /nfs/dbraw/zinc/67/20/06/1219672006.db2.gz YOGZCXKYXXLCFT-IXDOHACOSA-N 2 2 364.494 0.253 20 0 FCADLP Cc1ncoc1C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660841 1219676001 /nfs/dbraw/zinc/67/60/01/1219676001.db2.gz QCFMYEBRPKCRKH-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660841 1219676003 /nfs/dbraw/zinc/67/60/03/1219676003.db2.gz QCFMYEBRPKCRKH-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660841 1219676005 /nfs/dbraw/zinc/67/60/05/1219676005.db2.gz QCFMYEBRPKCRKH-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1ncoc1C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660841 1219676007 /nfs/dbraw/zinc/67/60/07/1219676007.db2.gz QCFMYEBRPKCRKH-UKPHBRMFSA-N 2 2 366.462 0.409 20 0 FCADLP C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001074895555 1219729454 /nfs/dbraw/zinc/72/94/54/1219729454.db2.gz YBGGVNJXBYLNGF-JJXSEGSLSA-N 2 2 359.474 0.725 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098773214 1219823047 /nfs/dbraw/zinc/82/30/47/1219823047.db2.gz ALWWFIYHHBETKH-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1nccnc1C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098773214 1219823050 /nfs/dbraw/zinc/82/30/50/1219823050.db2.gz ALWWFIYHHBETKH-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773214 1219823053 /nfs/dbraw/zinc/82/30/53/1219823053.db2.gz ALWWFIYHHBETKH-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773214 1219823056 /nfs/dbraw/zinc/82/30/56/1219823056.db2.gz ALWWFIYHHBETKH-WDYCEAGBSA-N 2 2 359.474 0.586 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001098850858 1219840296 /nfs/dbraw/zinc/84/02/96/1219840296.db2.gz QEQUHJQCYKQBFA-UVFQYZLESA-N 2 2 371.485 0.621 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001098850858 1219840297 /nfs/dbraw/zinc/84/02/97/1219840297.db2.gz QEQUHJQCYKQBFA-UVFQYZLESA-N 2 2 371.485 0.621 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246380 1219889093 /nfs/dbraw/zinc/88/90/93/1219889093.db2.gz NZNZCHIBFFWMDT-KBPBESRZSA-N 2 2 361.446 0.374 20 0 FCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750246380 1219889098 /nfs/dbraw/zinc/88/90/98/1219889098.db2.gz NZNZCHIBFFWMDT-KBPBESRZSA-N 2 2 361.446 0.374 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CC2)C3)C1 ZINC001099031029 1219893329 /nfs/dbraw/zinc/89/33/29/1219893329.db2.gz OMDINVXVHKUKPJ-YWZLYKJASA-N 2 2 362.518 0.968 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NC2CC2)C3)C1 ZINC001099031029 1219893333 /nfs/dbraw/zinc/89/33/33/1219893333.db2.gz OMDINVXVHKUKPJ-YWZLYKJASA-N 2 2 362.518 0.968 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NC2CC2)C3)C1 ZINC001099031029 1219893334 /nfs/dbraw/zinc/89/33/34/1219893334.db2.gz OMDINVXVHKUKPJ-YWZLYKJASA-N 2 2 362.518 0.968 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NC2CC2)C3)C1 ZINC001099031029 1219893337 /nfs/dbraw/zinc/89/33/37/1219893337.db2.gz OMDINVXVHKUKPJ-YWZLYKJASA-N 2 2 362.518 0.968 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159921 1219935611 /nfs/dbraw/zinc/93/56/11/1219935611.db2.gz MFJHAKJHCQYJFO-DEYYWGMASA-N 2 2 361.446 0.536 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159921 1219935612 /nfs/dbraw/zinc/93/56/12/1219935612.db2.gz MFJHAKJHCQYJFO-DEYYWGMASA-N 2 2 361.446 0.536 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159921 1219935616 /nfs/dbraw/zinc/93/56/16/1219935616.db2.gz MFJHAKJHCQYJFO-DEYYWGMASA-N 2 2 361.446 0.536 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)Nc2ccon2)C3)C1 ZINC001099159921 1219935619 /nfs/dbraw/zinc/93/56/19/1219935619.db2.gz MFJHAKJHCQYJFO-DEYYWGMASA-N 2 2 361.446 0.536 20 0 FCADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)cc1=O ZINC001099183468 1219944028 /nfs/dbraw/zinc/94/40/28/1219944028.db2.gz GXYOPQYNHRKXJO-LPHOPBHVSA-N 2 2 355.442 0.753 20 0 FCADLP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)cc1=O ZINC001099183468 1219944029 /nfs/dbraw/zinc/94/40/29/1219944029.db2.gz GXYOPQYNHRKXJO-LPHOPBHVSA-N 2 2 355.442 0.753 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@H+](C)CCO2)C3)[nH]1 ZINC001099404200 1219983648 /nfs/dbraw/zinc/98/36/48/1219983648.db2.gz ZQMDRWBDGPLNDG-DAYGRLMNSA-N 2 2 362.478 0.162 20 0 FCADLP Cc1nnc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C3)[nH]1 ZINC001099404200 1219983656 /nfs/dbraw/zinc/98/36/56/1219983656.db2.gz ZQMDRWBDGPLNDG-DAYGRLMNSA-N 2 2 362.478 0.162 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001099519609 1220020690 /nfs/dbraw/zinc/02/06/90/1220020690.db2.gz FSHDSWRQHZDYTP-KSSFIOAISA-N 2 2 357.462 0.982 20 0 FCADLP CCn1ncc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)n1 ZINC001099541757 1220028226 /nfs/dbraw/zinc/02/82/26/1220028226.db2.gz ZKGANBOZHGOOJG-YJBOKZPZSA-N 2 2 357.462 0.913 20 0 FCADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2)c1nnnn1C ZINC001099540869 1220028372 /nfs/dbraw/zinc/02/83/72/1220028372.db2.gz GQRCQTDWFXJVTK-KEYYUXOJSA-N 2 2 358.450 0.386 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CCN3C(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001277331681 1225954014 /nfs/dbraw/zinc/95/40/14/1225954014.db2.gz ORSDXYZYAZKRMT-IFXJQAMLSA-N 2 2 357.458 0.408 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101257345 1220250937 /nfs/dbraw/zinc/25/09/37/1220250937.db2.gz QCONZVAFNSBLCJ-KEYYUXOJSA-N 2 2 367.473 0.170 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](Cc3nnnn3C)C[C@@]2(C)C1 ZINC001101257345 1220250940 /nfs/dbraw/zinc/25/09/40/1220250940.db2.gz QCONZVAFNSBLCJ-KEYYUXOJSA-N 2 2 367.473 0.170 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101283235 1220267434 /nfs/dbraw/zinc/26/74/34/1220267434.db2.gz YIVQGTNQFQITAQ-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP C[C@]12CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101283235 1220267436 /nfs/dbraw/zinc/26/74/36/1220267436.db2.gz YIVQGTNQFQITAQ-FCEWJHQRSA-N 2 2 362.474 0.235 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308642 1220280400 /nfs/dbraw/zinc/28/04/00/1220280400.db2.gz VMFZOTVRPUODMD-BEFAXECRSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308642 1220280401 /nfs/dbraw/zinc/28/04/01/1220280401.db2.gz VMFZOTVRPUODMD-BEFAXECRSA-N 2 2 361.490 0.658 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341612 1220293991 /nfs/dbraw/zinc/29/39/91/1220293991.db2.gz MAQDKLXTCSWYEW-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341612 1220293993 /nfs/dbraw/zinc/29/39/93/1220293993.db2.gz MAQDKLXTCSWYEW-QAPCUYQASA-N 2 2 363.510 0.876 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101344791 1220295121 /nfs/dbraw/zinc/29/51/21/1220295121.db2.gz DKLRBNUCXAFZPF-QAPCUYQASA-N 2 2 366.485 0.870 20 0 FCADLP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCF)C[C@@]2(C)C1 ZINC001101344791 1220295123 /nfs/dbraw/zinc/29/51/23/1220295123.db2.gz DKLRBNUCXAFZPF-QAPCUYQASA-N 2 2 366.485 0.870 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](CCCF)C[C@@]2(C)C1 ZINC001101350148 1220297242 /nfs/dbraw/zinc/29/72/42/1220297242.db2.gz YNDVQJXIOANUJI-HFTRVMKXSA-N 2 2 365.453 0.597 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](CCCF)C[C@@]2(C)C1 ZINC001101350148 1220297244 /nfs/dbraw/zinc/29/72/44/1220297244.db2.gz YNDVQJXIOANUJI-HFTRVMKXSA-N 2 2 365.453 0.597 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](CCCF)C[C@@]2(C)C1 ZINC001101350148 1220297248 /nfs/dbraw/zinc/29/72/48/1220297248.db2.gz YNDVQJXIOANUJI-HFTRVMKXSA-N 2 2 365.453 0.597 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](CCCF)C[C@@]2(C)C1 ZINC001101350148 1220297249 /nfs/dbraw/zinc/29/72/49/1220297249.db2.gz YNDVQJXIOANUJI-HFTRVMKXSA-N 2 2 365.453 0.597 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101360889 1220301196 /nfs/dbraw/zinc/30/11/96/1220301196.db2.gz NVKDAYUCCQSKQG-CLCXKQKWSA-N 2 2 362.474 0.619 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C[C@H]1C[N@@H+](CCOCCO)C2 ZINC001101360889 1220301203 /nfs/dbraw/zinc/30/12/03/1220301203.db2.gz NVKDAYUCCQSKQG-CLCXKQKWSA-N 2 2 362.474 0.619 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367768 1220305334 /nfs/dbraw/zinc/30/53/34/1220305334.db2.gz KFXUMPIPFSWHQM-NLDJYOPPSA-N 2 2 373.501 0.782 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101367768 1220305339 /nfs/dbraw/zinc/30/53/39/1220305339.db2.gz KFXUMPIPFSWHQM-NLDJYOPPSA-N 2 2 373.501 0.782 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101418381 1220332901 /nfs/dbraw/zinc/33/29/01/1220332901.db2.gz PBXJNIPCLJTUIV-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2C[NH+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101418381 1220332903 /nfs/dbraw/zinc/33/29/03/1220332903.db2.gz PBXJNIPCLJTUIV-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101418381 1220332905 /nfs/dbraw/zinc/33/29/05/1220332905.db2.gz PBXJNIPCLJTUIV-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CC[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(N(C)C)no3)C[C@@]2(C)C1 ZINC001101418381 1220332908 /nfs/dbraw/zinc/33/29/08/1220332908.db2.gz PBXJNIPCLJTUIV-KDOFPFPSSA-N 2 2 364.494 0.758 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430227 1220340586 /nfs/dbraw/zinc/34/05/86/1220340586.db2.gz VBMMPETVOKEZGQ-OGWOLHLISA-N 2 2 361.490 0.787 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101430227 1220340588 /nfs/dbraw/zinc/34/05/88/1220340588.db2.gz VBMMPETVOKEZGQ-OGWOLHLISA-N 2 2 361.490 0.787 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469146 1220363911 /nfs/dbraw/zinc/36/39/11/1220363911.db2.gz DBMXOWZQUSRPSC-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469146 1220363914 /nfs/dbraw/zinc/36/39/14/1220363914.db2.gz DBMXOWZQUSRPSC-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469146 1220363916 /nfs/dbraw/zinc/36/39/16/1220363916.db2.gz DBMXOWZQUSRPSC-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CCCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469146 1220363919 /nfs/dbraw/zinc/36/39/19/1220363919.db2.gz DBMXOWZQUSRPSC-GJYPPUQNSA-N 2 2 366.506 0.014 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477168 1220368119 /nfs/dbraw/zinc/36/81/19/1220368119.db2.gz GSZQXGHVWMCYEL-QAPCUYQASA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477168 1220368120 /nfs/dbraw/zinc/36/81/20/1220368120.db2.gz GSZQXGHVWMCYEL-QAPCUYQASA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477168 1220368122 /nfs/dbraw/zinc/36/81/22/1220368122.db2.gz GSZQXGHVWMCYEL-QAPCUYQASA-N 2 2 363.510 0.875 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477168 1220368123 /nfs/dbraw/zinc/36/81/23/1220368123.db2.gz GSZQXGHVWMCYEL-QAPCUYQASA-N 2 2 363.510 0.875 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CC(=O)NCC1CCC1)C2 ZINC001101488274 1220372719 /nfs/dbraw/zinc/37/27/19/1220372719.db2.gz WDUISOORVOYBSV-APWZRJJASA-N 2 2 359.474 0.580 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC001101488274 1220372726 /nfs/dbraw/zinc/37/27/26/1220372726.db2.gz WDUISOORVOYBSV-APWZRJJASA-N 2 2 359.474 0.580 20 0 FCADLP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927896 1220435884 /nfs/dbraw/zinc/43/58/84/1220435884.db2.gz QDADJGKGETWAGQ-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927896 1220435889 /nfs/dbraw/zinc/43/58/89/1220435889.db2.gz QDADJGKGETWAGQ-ZIAGYGMSSA-N 2 2 361.446 0.175 20 0 FCADLP COCc1noc(C[N@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)n1 ZINC001102046347 1220477106 /nfs/dbraw/zinc/47/71/06/1220477106.db2.gz ZLFMKMWFVWBQKX-ZIAGYGMSSA-N 2 2 365.478 0.884 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)n1 ZINC001102046347 1220477111 /nfs/dbraw/zinc/47/71/11/1220477111.db2.gz ZLFMKMWFVWBQKX-ZIAGYGMSSA-N 2 2 365.478 0.884 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C)[NH+](C)C ZINC001102070848 1220486226 /nfs/dbraw/zinc/48/62/26/1220486226.db2.gz VJURRAZHEGOINZ-CPUCHLNUSA-N 2 2 363.510 0.778 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C)[NH+](C)C ZINC001102070848 1220486228 /nfs/dbraw/zinc/48/62/28/1220486228.db2.gz VJURRAZHEGOINZ-CPUCHLNUSA-N 2 2 363.510 0.778 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109283 1220500889 /nfs/dbraw/zinc/50/08/89/1220500889.db2.gz BVJVGTIIEHRCCR-ZIAGYGMSSA-N 2 2 365.478 0.560 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001102109283 1220500895 /nfs/dbraw/zinc/50/08/95/1220500895.db2.gz BVJVGTIIEHRCCR-ZIAGYGMSSA-N 2 2 365.478 0.560 20 0 FCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366950 1220596046 /nfs/dbraw/zinc/59/60/46/1220596046.db2.gz WDDFJDDDTABLQR-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366950 1220596052 /nfs/dbraw/zinc/59/60/52/1220596052.db2.gz WDDFJDDDTABLQR-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366950 1220596060 /nfs/dbraw/zinc/59/60/60/1220596060.db2.gz WDDFJDDDTABLQR-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP CC(C)n1nnnc1C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366950 1220596066 /nfs/dbraw/zinc/59/60/66/1220596066.db2.gz WDDFJDDDTABLQR-BZUAXINKSA-N 2 2 363.510 0.922 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456356 1220630352 /nfs/dbraw/zinc/63/03/52/1220630352.db2.gz WRRWGAUUYFIRDO-RRFJBIMHSA-N 2 2 362.478 0.298 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456356 1220630361 /nfs/dbraw/zinc/63/03/61/1220630361.db2.gz WRRWGAUUYFIRDO-RRFJBIMHSA-N 2 2 362.478 0.298 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456356 1220630366 /nfs/dbraw/zinc/63/03/66/1220630366.db2.gz WRRWGAUUYFIRDO-RRFJBIMHSA-N 2 2 362.478 0.298 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1C ZINC001102456356 1220630373 /nfs/dbraw/zinc/63/03/73/1220630373.db2.gz WRRWGAUUYFIRDO-RRFJBIMHSA-N 2 2 362.478 0.298 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102466222 1220637186 /nfs/dbraw/zinc/63/71/86/1220637186.db2.gz JJVIZJQLEZORHQ-NVXWUHKLSA-N 2 2 361.490 0.691 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H](CNC(=O)CC[NH+]3CCOCC3)[C@H](C)C2)n1 ZINC001102466222 1220637188 /nfs/dbraw/zinc/63/71/88/1220637188.db2.gz JJVIZJQLEZORHQ-NVXWUHKLSA-N 2 2 361.490 0.691 20 0 FCADLP COc1cncc(C[N@H+]2C[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)n1 ZINC001102531769 1220684461 /nfs/dbraw/zinc/68/44/61/1220684461.db2.gz FCBRINAWLPJZQI-TZMCWYRMSA-N 2 2 358.446 0.944 20 0 FCADLP COc1cncc(C[N@@H+]2C[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)n1 ZINC001102531769 1220684465 /nfs/dbraw/zinc/68/44/65/1220684465.db2.gz FCBRINAWLPJZQI-TZMCWYRMSA-N 2 2 358.446 0.944 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540157 1220688252 /nfs/dbraw/zinc/68/82/52/1220688252.db2.gz FZHWGXFIWCKOSN-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102540157 1220688253 /nfs/dbraw/zinc/68/82/53/1220688253.db2.gz FZHWGXFIWCKOSN-BZUAXINKSA-N 2 2 363.506 0.952 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)on1 ZINC001102579811 1220701360 /nfs/dbraw/zinc/70/13/60/1220701360.db2.gz QQIRBWJDXBZGMG-UKRRQHHQSA-N 2 2 363.462 0.701 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)C[NH+]3CCCC3)[C@H](C)C2)on1 ZINC001102579811 1220701367 /nfs/dbraw/zinc/70/13/67/1220701367.db2.gz QQIRBWJDXBZGMG-UKRRQHHQSA-N 2 2 363.462 0.701 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C2)no1 ZINC001102602004 1220723930 /nfs/dbraw/zinc/72/39/30/1220723930.db2.gz YTSHAKVBSAYNIX-UKRRQHHQSA-N 2 2 365.478 0.946 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)no1 ZINC001102602004 1220723933 /nfs/dbraw/zinc/72/39/33/1220723933.db2.gz YTSHAKVBSAYNIX-UKRRQHHQSA-N 2 2 365.478 0.946 20 0 FCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)no1 ZINC001102602004 1220723936 /nfs/dbraw/zinc/72/39/36/1220723936.db2.gz YTSHAKVBSAYNIX-UKRRQHHQSA-N 2 2 365.478 0.946 20 0 FCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)no1 ZINC001102602004 1220723940 /nfs/dbraw/zinc/72/39/40/1220723940.db2.gz YTSHAKVBSAYNIX-UKRRQHHQSA-N 2 2 365.478 0.946 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@H](C)C2)c(C)n1 ZINC001102616152 1220735539 /nfs/dbraw/zinc/73/55/39/1220735539.db2.gz LNZKOMMXHQOPTG-UKRRQHHQSA-N 2 2 358.446 0.874 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@H](C)C2)c(C)n1 ZINC001102616152 1220735546 /nfs/dbraw/zinc/73/55/46/1220735546.db2.gz LNZKOMMXHQOPTG-UKRRQHHQSA-N 2 2 358.446 0.874 20 0 FCADLP Cc1ccnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819543 1220791890 /nfs/dbraw/zinc/79/18/90/1220791890.db2.gz UUCMKQAYIUSFHA-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)n1 ZINC001102819543 1220791894 /nfs/dbraw/zinc/79/18/94/1220791894.db2.gz UUCMKQAYIUSFHA-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001102819543 1220791897 /nfs/dbraw/zinc/79/18/97/1220791897.db2.gz UUCMKQAYIUSFHA-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1ccnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001102819543 1220791902 /nfs/dbraw/zinc/79/19/02/1220791902.db2.gz UUCMKQAYIUSFHA-OIISXLGYSA-N 2 2 361.490 0.690 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102926450 1220808194 /nfs/dbraw/zinc/80/81/94/1220808194.db2.gz CPSNQRPWFSFLGF-HUUCEWRRSA-N 2 2 362.478 0.442 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102926450 1220808195 /nfs/dbraw/zinc/80/81/95/1220808195.db2.gz CPSNQRPWFSFLGF-HUUCEWRRSA-N 2 2 362.478 0.442 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138435 1220838888 /nfs/dbraw/zinc/83/88/88/1220838888.db2.gz LEYPKRLWMDUUDT-FMKPAKJESA-N 2 2 362.474 0.971 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001103138435 1220838889 /nfs/dbraw/zinc/83/88/89/1220838889.db2.gz LEYPKRLWMDUUDT-FMKPAKJESA-N 2 2 362.474 0.971 20 0 FCADLP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001103159766 1220841515 /nfs/dbraw/zinc/84/15/15/1220841515.db2.gz YNXSYGDMYMMCBK-IXDOHACOSA-N 2 2 371.489 0.811 20 0 FCADLP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001103159766 1220841516 /nfs/dbraw/zinc/84/15/16/1220841516.db2.gz YNXSYGDMYMMCBK-IXDOHACOSA-N 2 2 371.489 0.811 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001103162842 1220842290 /nfs/dbraw/zinc/84/22/90/1220842290.db2.gz MCQNRVSRNSVHSN-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001103162842 1220842291 /nfs/dbraw/zinc/84/22/91/1220842291.db2.gz MCQNRVSRNSVHSN-BZUAXINKSA-N 2 2 361.490 0.608 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162740 1220842401 /nfs/dbraw/zinc/84/24/01/1220842401.db2.gz IIOMEVUKNKPOOB-OAGGEKHMSA-N 2 2 361.490 0.656 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001103162740 1220842403 /nfs/dbraw/zinc/84/24/03/1220842403.db2.gz IIOMEVUKNKPOOB-OAGGEKHMSA-N 2 2 361.490 0.656 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)NC[C@H]1CCCO1 ZINC001229301711 1225998045 /nfs/dbraw/zinc/99/80/45/1225998045.db2.gz WAGRVRLGNMEFAN-RBSFLKMASA-N 2 2 363.462 0.264 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001103291728 1220861565 /nfs/dbraw/zinc/86/15/65/1220861565.db2.gz QTZNQRKPNZEJCD-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001103291728 1220861567 /nfs/dbraw/zinc/86/15/67/1220861567.db2.gz QTZNQRKPNZEJCD-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)C1CC1 ZINC001103473903 1220888276 /nfs/dbraw/zinc/88/82/76/1220888276.db2.gz ZADLRDABONTXJG-IIAWOOMASA-N 2 2 361.490 0.941 20 0 FCADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1)C1CC1 ZINC001103473903 1220888277 /nfs/dbraw/zinc/88/82/77/1220888277.db2.gz ZADLRDABONTXJG-IIAWOOMASA-N 2 2 361.490 0.941 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103572668 1220904527 /nfs/dbraw/zinc/90/45/27/1220904527.db2.gz FNXPVBXQURQKEU-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103572668 1220904530 /nfs/dbraw/zinc/90/45/30/1220904530.db2.gz FNXPVBXQURQKEU-HUUCEWRRSA-N 2 2 365.478 0.179 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643771 1220925458 /nfs/dbraw/zinc/92/54/58/1220925458.db2.gz PVROTDGWAODFLD-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643771 1220925462 /nfs/dbraw/zinc/92/54/62/1220925462.db2.gz PVROTDGWAODFLD-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643442 1220926669 /nfs/dbraw/zinc/92/66/69/1220926669.db2.gz JZHXGOBOKDGAHH-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643442 1220926674 /nfs/dbraw/zinc/92/66/74/1220926674.db2.gz JZHXGOBOKDGAHH-HUUCEWRRSA-N 2 2 363.506 0.952 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688013 1220940073 /nfs/dbraw/zinc/94/00/73/1220940073.db2.gz FMPJYKWRZVDTSP-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688013 1220940075 /nfs/dbraw/zinc/94/00/75/1220940075.db2.gz FMPJYKWRZVDTSP-INMHGKMJSA-N 2 2 361.490 0.658 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688112 1220940525 /nfs/dbraw/zinc/94/05/25/1220940525.db2.gz KMKGABOODBMVAA-BZUAXINKSA-N 2 2 363.506 0.904 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103688112 1220940530 /nfs/dbraw/zinc/94/05/30/1220940530.db2.gz KMKGABOODBMVAA-BZUAXINKSA-N 2 2 363.506 0.904 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ncccn3)C[C@H]2C)C1 ZINC001103742386 1220958257 /nfs/dbraw/zinc/95/82/57/1220958257.db2.gz DQEZGBBXOCJAON-BRWVUGGUSA-N 2 2 361.490 0.772 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](Cc3ncccn3)C[C@H]2C)C1 ZINC001103742386 1220958259 /nfs/dbraw/zinc/95/82/59/1220958259.db2.gz DQEZGBBXOCJAON-BRWVUGGUSA-N 2 2 361.490 0.772 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](Cc3ncccn3)C[C@H]2C)C1 ZINC001103742386 1220958260 /nfs/dbraw/zinc/95/82/60/1220958260.db2.gz DQEZGBBXOCJAON-BRWVUGGUSA-N 2 2 361.490 0.772 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](Cc3ncccn3)C[C@H]2C)C1 ZINC001103742386 1220958261 /nfs/dbraw/zinc/95/82/61/1220958261.db2.gz DQEZGBBXOCJAON-BRWVUGGUSA-N 2 2 361.490 0.772 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC001111731975 1221080403 /nfs/dbraw/zinc/08/04/03/1221080403.db2.gz VGWJYCMWEAZWEU-KXBFYZLASA-N 2 2 359.474 0.935 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC001111731975 1221080405 /nfs/dbraw/zinc/08/04/05/1221080405.db2.gz VGWJYCMWEAZWEU-KXBFYZLASA-N 2 2 359.474 0.935 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H]1CCn2c[nH+]cc2C1 ZINC001111790081 1221110670 /nfs/dbraw/zinc/11/06/70/1221110670.db2.gz HEPSKKHWHQRLCC-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H]1CCn2c[nH+]cc2C1 ZINC001111790081 1221110672 /nfs/dbraw/zinc/11/06/72/1221110672.db2.gz HEPSKKHWHQRLCC-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H]1CCn2cc[nH+]c2C1 ZINC001111792592 1221111837 /nfs/dbraw/zinc/11/18/37/1221111837.db2.gz FZAIOHAYAORUAV-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H]1CCn2cc[nH+]c2C1 ZINC001111792592 1221111843 /nfs/dbraw/zinc/11/18/43/1221111843.db2.gz FZAIOHAYAORUAV-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2)[C@H]1CCc2[nH+]ccn2C1 ZINC001111792731 1221112071 /nfs/dbraw/zinc/11/20/71/1221112071.db2.gz LXCWPSPHDTYDLJ-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP O=C(N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2)[C@H]1CCc2[nH+]ccn2C1 ZINC001111792731 1221112072 /nfs/dbraw/zinc/11/20/72/1221112072.db2.gz LXCWPSPHDTYDLJ-BXWFABGCSA-N 2 2 362.474 0.425 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861254 1221140107 /nfs/dbraw/zinc/14/01/07/1221140107.db2.gz DFCGXEOENUYQLV-DEYYWGMASA-N 2 2 361.494 0.991 20 0 FCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861254 1221140111 /nfs/dbraw/zinc/14/01/11/1221140111.db2.gz DFCGXEOENUYQLV-DEYYWGMASA-N 2 2 361.494 0.991 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnnn1C(C)(C)C)C2 ZINC001111861607 1221140200 /nfs/dbraw/zinc/14/02/00/1221140200.db2.gz VOWWEUFXWUSVJW-KSSFIOAISA-N 2 2 363.510 0.851 20 0 FCADLP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnnn1C(C)(C)C)C2 ZINC001111861607 1221140203 /nfs/dbraw/zinc/14/02/03/1221140203.db2.gz VOWWEUFXWUSVJW-KSSFIOAISA-N 2 2 363.510 0.851 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccon1)C2 ZINC001111909648 1221163254 /nfs/dbraw/zinc/16/32/54/1221163254.db2.gz HPGWIEBNXOJEEY-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP Cc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939878 1221179802 /nfs/dbraw/zinc/17/98/02/1221179802.db2.gz XOMYMCNBZODCGQ-XUWXXGDYSA-N 2 2 365.478 0.988 20 0 FCADLP Cc1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)COCC[NH+](C)C)C2)n1 ZINC001111939878 1221179804 /nfs/dbraw/zinc/17/98/04/1221179804.db2.gz XOMYMCNBZODCGQ-XUWXXGDYSA-N 2 2 365.478 0.988 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947298 1221181654 /nfs/dbraw/zinc/18/16/54/1221181654.db2.gz BAKCVWRTJPTASM-VKJFTORMSA-N 2 2 363.510 0.974 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947298 1221181655 /nfs/dbraw/zinc/18/16/55/1221181655.db2.gz BAKCVWRTJPTASM-VKJFTORMSA-N 2 2 363.510 0.974 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001111949348 1221182330 /nfs/dbraw/zinc/18/23/30/1221182330.db2.gz ZZEMPSLMFLIRRY-KSSFIOAISA-N 2 2 364.494 0.311 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001111949348 1221182334 /nfs/dbraw/zinc/18/23/34/1221182334.db2.gz ZZEMPSLMFLIRRY-KSSFIOAISA-N 2 2 364.494 0.311 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001111949348 1221182337 /nfs/dbraw/zinc/18/23/37/1221182337.db2.gz ZZEMPSLMFLIRRY-KSSFIOAISA-N 2 2 364.494 0.311 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001111949348 1221182340 /nfs/dbraw/zinc/18/23/40/1221182340.db2.gz ZZEMPSLMFLIRRY-KSSFIOAISA-N 2 2 364.494 0.311 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984537 1221193524 /nfs/dbraw/zinc/19/35/24/1221193524.db2.gz BLFQZHZITOJTRO-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984537 1221193528 /nfs/dbraw/zinc/19/35/28/1221193528.db2.gz BLFQZHZITOJTRO-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP COC(=O)CC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CCOCC1 ZINC000783999863 1221227404 /nfs/dbraw/zinc/22/74/04/1221227404.db2.gz YUXNXYBRNDGXDY-CQSZACIVSA-N 2 2 364.446 0.738 20 0 FCADLP COC(=O)CC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CCOCC1 ZINC000783999863 1221227410 /nfs/dbraw/zinc/22/74/10/1221227410.db2.gz YUXNXYBRNDGXDY-CQSZACIVSA-N 2 2 364.446 0.738 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)C2 ZINC001112439326 1221259506 /nfs/dbraw/zinc/25/95/06/1221259506.db2.gz UGYFFGLOGHBVIN-TYILLQQXSA-N 2 2 359.474 0.527 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)CC2 ZINC001112439326 1221259510 /nfs/dbraw/zinc/25/95/10/1221259510.db2.gz UGYFFGLOGHBVIN-TYILLQQXSA-N 2 2 359.474 0.527 20 0 FCADLP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799138435 1221302910 /nfs/dbraw/zinc/30/29/10/1221302910.db2.gz BICZNRFJJKBVCS-MRXNPFEDSA-N 2 2 360.458 0.554 20 0 FCADLP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001116477953 1221366032 /nfs/dbraw/zinc/36/60/32/1221366032.db2.gz QWNAJXXJNHJWRA-UHFFFAOYSA-N 2 2 359.434 0.491 20 0 FCADLP COCCO[C@H]1COCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001116662941 1221377487 /nfs/dbraw/zinc/37/74/87/1221377487.db2.gz SSDPGDQYWWMZFX-OALUTQOASA-N 2 2 371.522 0.193 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001229940000 1226041115 /nfs/dbraw/zinc/04/11/15/1226041115.db2.gz SGQGDOLPNXLRGF-BZUAXINKSA-N 2 2 360.462 0.535 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061346 1221451039 /nfs/dbraw/zinc/45/10/39/1221451039.db2.gz ALNIFGCTMHYWIQ-KRWDZBQOSA-N 2 2 370.497 0.555 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC001117061346 1221451045 /nfs/dbraw/zinc/45/10/45/1221451045.db2.gz ALNIFGCTMHYWIQ-KRWDZBQOSA-N 2 2 370.497 0.555 20 0 FCADLP C[NH+]1CCN([C@H](C(=O)N2CC(N3CC[NH+](C)CC3)C2)c2ccccc2)CC1 ZINC001117773540 1221623438 /nfs/dbraw/zinc/62/34/38/1221623438.db2.gz SQUVWDCQOZKPOG-FQEVSTJZSA-N 2 2 371.529 0.433 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H]1n1cc[nH+]c1 ZINC001118268816 1221747992 /nfs/dbraw/zinc/74/79/92/1221747992.db2.gz YMQBVLJPQHNPRK-OLMMMNRUSA-N 2 2 359.474 0.880 20 0 FCADLP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C)n1)[NH+]1CCCC1 ZINC001230286638 1226071541 /nfs/dbraw/zinc/07/15/41/1226071541.db2.gz PQXDARKJCOPDKM-BFYDXBDKSA-N 2 2 363.510 0.848 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC001119010572 1221855159 /nfs/dbraw/zinc/85/51/59/1221855159.db2.gz LMRIIBAGIINRMZ-MRXNPFEDSA-N 2 2 360.506 0.405 20 0 FCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(Cc2[nH+]ccn2C)n1C ZINC001121357487 1222168018 /nfs/dbraw/zinc/16/80/18/1222168018.db2.gz NPGMDMAPPQUUEB-AWEZNQCLSA-N 2 2 359.478 0.829 20 0 FCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2[nH+]ccn2C)n1C ZINC001121357487 1222168021 /nfs/dbraw/zinc/16/80/21/1222168021.db2.gz NPGMDMAPPQUUEB-AWEZNQCLSA-N 2 2 359.478 0.829 20 0 FCADLP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001121981736 1222229502 /nfs/dbraw/zinc/22/95/02/1222229502.db2.gz AIKIZUTVARVZTD-IBGZPJMESA-N 2 2 360.458 0.076 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001122121739 1222242667 /nfs/dbraw/zinc/24/26/67/1222242667.db2.gz TUPVWBLQARBVOF-WMZOPIPTSA-N 2 2 354.454 0.872 20 0 FCADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510809 1222336713 /nfs/dbraw/zinc/33/67/13/1222336713.db2.gz WMYAFVQYUAPWKO-MAUKXSAKSA-N 2 2 371.485 0.401 20 0 FCADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001123510809 1222336717 /nfs/dbraw/zinc/33/67/17/1222336717.db2.gz WMYAFVQYUAPWKO-MAUKXSAKSA-N 2 2 371.485 0.401 20 0 FCADLP CCc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001124850414 1222388465 /nfs/dbraw/zinc/38/84/65/1222388465.db2.gz NREKZOSXDPNQEY-UHOFOFEASA-N 2 2 365.478 0.298 20 0 FCADLP CCc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc(C)[nH+]1 ZINC001124850414 1222388470 /nfs/dbraw/zinc/38/84/70/1222388470.db2.gz NREKZOSXDPNQEY-UHOFOFEASA-N 2 2 365.478 0.298 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000831086359 1222490306 /nfs/dbraw/zinc/49/03/06/1222490306.db2.gz BZAJCMMTNBUVSG-CQSZACIVSA-N 2 2 372.477 0.642 20 0 FCADLP NC(=O)COc1ccc(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)cc1 ZINC001138871562 1222528946 /nfs/dbraw/zinc/52/89/46/1222528946.db2.gz LSOMEJDYSRDEDJ-UHFFFAOYSA-N 2 2 374.485 0.712 20 0 FCADLP CN(C(=O)C(=O)Nc1cccnc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000832373425 1222529156 /nfs/dbraw/zinc/52/91/56/1222529156.db2.gz UZODDJQRNZPFEO-AWEZNQCLSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1cccnc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000832373425 1222529161 /nfs/dbraw/zinc/52/91/61/1222529161.db2.gz UZODDJQRNZPFEO-AWEZNQCLSA-N 2 2 363.437 0.786 20 0 FCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cnc4c(c3)OCCO4)CC2)CC1 ZINC001139734684 1222556497 /nfs/dbraw/zinc/55/64/97/1222556497.db2.gz PYQDCGFZUIVZSA-UHFFFAOYSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@@]1(CO)CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139761780 1222557751 /nfs/dbraw/zinc/55/77/51/1222557751.db2.gz MQDPTHXDBJNYDD-PMACEKPBSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@@]1(CO)CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1O ZINC001139761780 1222557755 /nfs/dbraw/zinc/55/77/55/1222557755.db2.gz MQDPTHXDBJNYDD-PMACEKPBSA-N 2 2 364.486 0.963 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3cccc(F)n3)CC2)C1=O ZINC001140132429 1222567295 /nfs/dbraw/zinc/56/72/95/1222567295.db2.gz MXZMCTXYIAZIAI-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3cccc(F)n3)CC2)C1=O ZINC001140132429 1222567300 /nfs/dbraw/zinc/56/73/00/1222567300.db2.gz MXZMCTXYIAZIAI-UHFFFAOYSA-N 2 2 363.481 0.891 20 0 FCADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766676 1222588249 /nfs/dbraw/zinc/58/82/49/1222588249.db2.gz WMQULWJHTCBIHV-SUNYJGFJSA-N 2 2 371.478 0.584 20 0 FCADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000834766676 1222588254 /nfs/dbraw/zinc/58/82/54/1222588254.db2.gz WMQULWJHTCBIHV-SUNYJGFJSA-N 2 2 371.478 0.584 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817178 1222591491 /nfs/dbraw/zinc/59/14/91/1222591491.db2.gz KLWOOUSLDQNGCI-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000834817178 1222591494 /nfs/dbraw/zinc/59/14/94/1222591494.db2.gz KLWOOUSLDQNGCI-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000834817178 1222591497 /nfs/dbraw/zinc/59/14/97/1222591497.db2.gz KLWOOUSLDQNGCI-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000834817178 1222591500 /nfs/dbraw/zinc/59/15/00/1222591500.db2.gz KLWOOUSLDQNGCI-CAOSSQGBSA-N 2 2 366.506 0.295 20 0 FCADLP CCn1ncc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000838932316 1222695265 /nfs/dbraw/zinc/69/52/65/1222695265.db2.gz PGPJMADQJJHUOL-HNNXBMFYSA-N 2 2 372.477 0.683 20 0 FCADLP C[NH+]1CCC(CNC(=O)c2cccc3[nH+]ccn32)(N2CCOCC2)CC1 ZINC000839807991 1222757586 /nfs/dbraw/zinc/75/75/86/1222757586.db2.gz HSOJRYVMFJINAT-UHFFFAOYSA-N 2 2 357.458 0.861 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000842058441 1222834281 /nfs/dbraw/zinc/83/42/81/1222834281.db2.gz TVJUXEFJMQGLOP-CZUORRHYSA-N 2 2 371.441 0.718 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@H]([NH3+])C4CC4)n3)cn2)CC1 ZINC000843206569 1222860381 /nfs/dbraw/zinc/86/03/81/1222860381.db2.gz OAPQUDKVBLZLLM-AWEZNQCLSA-N 2 2 356.430 0.799 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000843244962 1222862258 /nfs/dbraw/zinc/86/22/58/1222862258.db2.gz UKNASLNGQFTPQV-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000843244962 1222862262 /nfs/dbraw/zinc/86/22/62/1222862262.db2.gz UKNASLNGQFTPQV-IYBDPMFKSA-N 2 2 366.506 0.108 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](Cc1c[nH]c3ncncc13)CC2 ZINC001232655666 1226159962 /nfs/dbraw/zinc/15/99/62/1226159962.db2.gz OBMKAHXCKKMFTM-UHFFFAOYSA-N 2 2 369.429 0.747 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](Cc1c[nH]c3ncncc13)CC2 ZINC001232655666 1226159967 /nfs/dbraw/zinc/15/99/67/1226159967.db2.gz OBMKAHXCKKMFTM-UHFFFAOYSA-N 2 2 369.429 0.747 20 0 FCADLP CCOC(=O)C1=C(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@H]1C ZINC000843388831 1222874966 /nfs/dbraw/zinc/87/49/66/1222874966.db2.gz YOHDXKBWYPXESC-QWHCGFSZSA-N 2 2 366.462 0.192 20 0 FCADLP CCOC(=O)C1=C(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@H]1C ZINC000843388831 1222874969 /nfs/dbraw/zinc/87/49/69/1222874969.db2.gz YOHDXKBWYPXESC-QWHCGFSZSA-N 2 2 366.462 0.192 20 0 FCADLP CCOC(=O)C1=C(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@H]1C ZINC000843388833 1222875144 /nfs/dbraw/zinc/87/51/44/1222875144.db2.gz YOHDXKBWYPXESC-STQMWFEESA-N 2 2 366.462 0.192 20 0 FCADLP CCOC(=O)C1=C(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)NC(=O)N[C@H]1C ZINC000843388833 1222875145 /nfs/dbraw/zinc/87/51/45/1222875145.db2.gz YOHDXKBWYPXESC-STQMWFEESA-N 2 2 366.462 0.192 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@@H]4C3)cn21 ZINC001150403083 1222902309 /nfs/dbraw/zinc/90/23/09/1222902309.db2.gz SOMWQKUXVWONCF-HZPDHXFCSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[NH+]4CC[C@@H]4C3)cn21 ZINC001150403083 1222902313 /nfs/dbraw/zinc/90/23/13/1222902313.db2.gz SOMWQKUXVWONCF-HZPDHXFCSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[N@@H+]4CC[C@@H]4C3)cn21 ZINC001150403083 1222902315 /nfs/dbraw/zinc/90/23/15/1222902315.db2.gz SOMWQKUXVWONCF-HZPDHXFCSA-N 2 2 369.473 0.178 20 0 FCADLP CN1CC[NH+](C)C[C@@H]1c1nnc2ccc(C(=O)N3CC[N@H+]4CC[C@@H]4C3)cn21 ZINC001150403083 1222902317 /nfs/dbraw/zinc/90/23/17/1222902317.db2.gz SOMWQKUXVWONCF-HZPDHXFCSA-N 2 2 369.473 0.178 20 0 FCADLP CCn1nnc(C)c1C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998521 1222998918 /nfs/dbraw/zinc/99/89/18/1222998918.db2.gz UUOHVXACFQNAFB-CKEIUWERSA-N 2 2 366.510 0.652 20 0 FCADLP CCn1nnc(C)c1C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998521 1222998923 /nfs/dbraw/zinc/99/89/23/1222998923.db2.gz UUOHVXACFQNAFB-CKEIUWERSA-N 2 2 366.510 0.652 20 0 FCADLP CCn1nnc(C)c1C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998521 1222998926 /nfs/dbraw/zinc/99/89/26/1222998926.db2.gz UUOHVXACFQNAFB-CKEIUWERSA-N 2 2 366.510 0.652 20 0 FCADLP CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415354 1223008383 /nfs/dbraw/zinc/00/83/83/1223008383.db2.gz NWUPAMFGSSVESJ-KURKYZTESA-N 2 2 371.522 0.729 20 0 FCADLP CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001154415354 1223008386 /nfs/dbraw/zinc/00/83/86/1223008386.db2.gz NWUPAMFGSSVESJ-KURKYZTESA-N 2 2 371.522 0.729 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]cn1 ZINC001155833564 1223045365 /nfs/dbraw/zinc/04/53/65/1223045365.db2.gz KBRRHAXREKNJBD-SUNYJGFJSA-N 2 2 360.462 0.644 20 0 FCADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc[nH+]1 ZINC001155833564 1223045370 /nfs/dbraw/zinc/04/53/70/1223045370.db2.gz KBRRHAXREKNJBD-SUNYJGFJSA-N 2 2 360.462 0.644 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081925 1223067110 /nfs/dbraw/zinc/06/71/10/1223067110.db2.gz FXQFKAZVZSINDU-DHSIGJKJSA-N 2 2 364.446 0.549 20 0 FCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157081925 1223067113 /nfs/dbraw/zinc/06/71/13/1223067113.db2.gz FXQFKAZVZSINDU-DHSIGJKJSA-N 2 2 364.446 0.549 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1C(F)(F)F ZINC001157998375 1223086504 /nfs/dbraw/zinc/08/65/04/1223086504.db2.gz FAHCKXMBNFZZFO-UONOGXRCSA-N 2 2 373.375 0.939 20 0 FCADLP [NH3+][C@H](CC(=O)N1CCOC2(CC[NH2+]CC2)C1)C(=O)OCc1ccccc1 ZINC001158071096 1223087950 /nfs/dbraw/zinc/08/79/50/1223087950.db2.gz UMABFLHJDBTWJP-MRXNPFEDSA-N 2 2 361.442 0.428 20 0 FCADLP Cc1c[nH+]ccc1N1CCN(c2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)CC1 ZINC001158107848 1223088954 /nfs/dbraw/zinc/08/89/54/1223088954.db2.gz JTZLWXQUGTVAAV-MRXNPFEDSA-N 2 2 367.457 0.961 20 0 FCADLP Cc1c[nH+]ccc1N1CCN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)CC1 ZINC001158107848 1223088957 /nfs/dbraw/zinc/08/89/57/1223088957.db2.gz JTZLWXQUGTVAAV-MRXNPFEDSA-N 2 2 367.457 0.961 20 0 FCADLP O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001158193538 1223090731 /nfs/dbraw/zinc/09/07/31/1223090731.db2.gz ONMQFGAZTFATQS-YESZJQIVSA-N 2 2 353.426 0.714 20 0 FCADLP O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001158193538 1223090732 /nfs/dbraw/zinc/09/07/32/1223090732.db2.gz ONMQFGAZTFATQS-YESZJQIVSA-N 2 2 353.426 0.714 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001158256107 1223091756 /nfs/dbraw/zinc/09/17/56/1223091756.db2.gz DQGUQDCVMUJADU-GDBMZVCRSA-N 2 2 357.462 0.579 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001158257221 1223092515 /nfs/dbraw/zinc/09/25/15/1223092515.db2.gz SZGLQUOTGFUVFA-BZUAXINKSA-N 2 2 359.474 0.481 20 0 FCADLP CCOC(=O)N1CCc2nnc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)cc2C1 ZINC001158268730 1223092946 /nfs/dbraw/zinc/09/29/46/1223092946.db2.gz LPOSATCCMYBAGX-OAHLLOKOSA-N 2 2 374.489 0.993 20 0 FCADLP CCOC(=O)N1CCc2nnc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)cc2C1 ZINC001158268730 1223092949 /nfs/dbraw/zinc/09/29/49/1223092949.db2.gz LPOSATCCMYBAGX-OAHLLOKOSA-N 2 2 374.489 0.993 20 0 FCADLP COC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491407 1223100018 /nfs/dbraw/zinc/10/00/18/1223100018.db2.gz RBHZXVZODWKDRU-YYIAUSFCSA-N 2 2 364.490 0.844 20 0 FCADLP COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491407 1223100020 /nfs/dbraw/zinc/10/00/20/1223100020.db2.gz RBHZXVZODWKDRU-YYIAUSFCSA-N 2 2 364.490 0.844 20 0 FCADLP O=C(N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158672050 1223104912 /nfs/dbraw/zinc/10/49/12/1223104912.db2.gz NVXAMHPQQWSMKN-KWXDATOUSA-N 2 2 372.469 0.308 20 0 FCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934168 1223113206 /nfs/dbraw/zinc/11/32/06/1223113206.db2.gz FLYYKRFAOFSJIH-GVDBMIGSSA-N 2 2 368.441 0.087 20 0 FCADLP Cn1cc([C@H]2COC3(C2)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC3)cn1 ZINC001158982899 1223114594 /nfs/dbraw/zinc/11/45/94/1223114594.db2.gz MXGNDASXJXXHAV-PBHICJAKSA-N 2 2 372.473 0.589 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159191523 1223120064 /nfs/dbraw/zinc/12/00/64/1223120064.db2.gz HSNLVZHPKMCBBC-UOVPBQLFSA-N 2 2 359.474 0.218 20 0 FCADLP NC(=[NH2+])NCCCCC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159191521 1223120336 /nfs/dbraw/zinc/12/03/36/1223120336.db2.gz HRUWZPZETUBOTE-OAHLLOKOSA-N 2 2 362.478 0.921 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)O1 ZINC001159245600 1223121548 /nfs/dbraw/zinc/12/15/48/1223121548.db2.gz MOBIMLZEBAAAAI-SFDCBXKLSA-N 2 2 364.450 0.067 20 0 FCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)O1 ZINC001159245600 1223121550 /nfs/dbraw/zinc/12/15/50/1223121550.db2.gz MOBIMLZEBAAAAI-SFDCBXKLSA-N 2 2 364.450 0.067 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001159257324 1223122228 /nfs/dbraw/zinc/12/22/28/1223122228.db2.gz NMGPMDKAADQAEB-ASKNOMKYSA-N 2 2 369.469 0.043 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159340902 1223125068 /nfs/dbraw/zinc/12/50/68/1223125068.db2.gz YRGLNKGKPRGYKD-IPYPFGDCSA-N 2 2 364.421 0.296 20 0 FCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)C1 ZINC001159340510 1223125123 /nfs/dbraw/zinc/12/51/23/1223125123.db2.gz WYJRFSSSKNYISZ-GUTXKFCHSA-N 2 2 364.421 0.439 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)C1 ZINC001159340512 1223125188 /nfs/dbraw/zinc/12/51/88/1223125188.db2.gz WYJRFSSSKNYISZ-NFAWXSAZSA-N 2 2 364.421 0.439 20 0 FCADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001159412628 1223126331 /nfs/dbraw/zinc/12/63/31/1223126331.db2.gz WGFXVWXLENSOHS-WMZOPIPTSA-N 3 2 357.502 0.974 20 0 FCADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001159412628 1223126334 /nfs/dbraw/zinc/12/63/34/1223126334.db2.gz WGFXVWXLENSOHS-WMZOPIPTSA-N 3 2 357.502 0.974 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667137 1223132785 /nfs/dbraw/zinc/13/27/85/1223132785.db2.gz SUXGMRIIRUDJKO-MOPGFXCFSA-N 3 2 373.501 0.225 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667137 1223132788 /nfs/dbraw/zinc/13/27/88/1223132788.db2.gz SUXGMRIIRUDJKO-MOPGFXCFSA-N 3 2 373.501 0.225 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001159697192 1223134734 /nfs/dbraw/zinc/13/47/34/1223134734.db2.gz HMSLKHJJKSIFBQ-ZCVDQKGDSA-N 2 2 372.469 0.416 20 0 FCADLP O=C(N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159905140 1223139480 /nfs/dbraw/zinc/13/94/80/1223139480.db2.gz KEVPBGFUCOXTKK-SKWUIDRYSA-N 2 2 358.442 0.172 20 0 FCADLP CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]12 ZINC001159989896 1223141872 /nfs/dbraw/zinc/14/18/72/1223141872.db2.gz DUSBFQTVIIKJRN-LXZJYRNTSA-N 2 2 356.470 0.467 20 0 FCADLP Cc1ccc(N(C(=O)[C@@H]2COCC[NH2+]2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054176 1223143425 /nfs/dbraw/zinc/14/34/25/1223143425.db2.gz YHCOEDBGFLWKFL-VKJFTORMSA-N 2 2 361.446 0.018 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160086030 1223144495 /nfs/dbraw/zinc/14/44/95/1223144495.db2.gz QNHBGFPNWAYACK-BXWFABGCSA-N 2 2 368.441 0.230 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160127951 1223146768 /nfs/dbraw/zinc/14/67/68/1223146768.db2.gz GMGURWZABTYSQY-SCNOPHJPSA-N 3 2 370.457 0.475 20 0 FCADLP O=C(N1CCC2(CC1)Cc1ccccc1CNC2=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160156437 1223147228 /nfs/dbraw/zinc/14/72/28/1223147228.db2.gz PWIRVSBZPWPGQB-DYESRHJHSA-N 2 2 368.481 0.419 20 0 FCADLP O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001160203149 1223149476 /nfs/dbraw/zinc/14/94/76/1223149476.db2.gz QNHBAAYBEHMVMU-XLAORIBOSA-N 2 2 374.529 0.871 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336966 1223156082 /nfs/dbraw/zinc/15/60/82/1223156082.db2.gz PMXQZBOGGQBWAF-HUUCEWRRSA-N 2 2 359.430 0.861 20 0 FCADLP CN(Cc1ccco1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336966 1223156084 /nfs/dbraw/zinc/15/60/84/1223156084.db2.gz PMXQZBOGGQBWAF-HUUCEWRRSA-N 2 2 359.430 0.861 20 0 FCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160381232 1223156341 /nfs/dbraw/zinc/15/63/41/1223156341.db2.gz SSXXHFVPVOLNPH-AWEZNQCLSA-N 2 2 366.510 0.993 20 0 FCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160381232 1223156347 /nfs/dbraw/zinc/15/63/47/1223156347.db2.gz SSXXHFVPVOLNPH-AWEZNQCLSA-N 2 2 366.510 0.993 20 0 FCADLP O=C(N1CCC(c2nc(-c3cccnc3)no2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160434821 1223159672 /nfs/dbraw/zinc/15/96/72/1223159672.db2.gz HOFBYRSJFGDLML-DNVCBOLYSA-N 2 2 368.441 0.789 20 0 FCADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490449 1223162627 /nfs/dbraw/zinc/16/26/27/1223162627.db2.gz QUPORJYSRYPKPO-KRWDZBQOSA-N 2 2 361.490 0.258 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566743 1223164885 /nfs/dbraw/zinc/16/48/85/1223164885.db2.gz ZRTXLDRSYYJSKF-RRQGHBQHSA-N 2 2 354.458 0.157 20 0 FCADLP C1C[C@@H]([NH+]2CCOCC2)[C@@H](Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001160724503 1223169826 /nfs/dbraw/zinc/16/98/26/1223169826.db2.gz LRAGRKPSJLQYPP-DOTOQJQBSA-N 2 2 374.489 0.582 20 0 FCADLP C1C[C@@H](Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]([NH+]2CCOCC2)C1 ZINC001160724506 1223170616 /nfs/dbraw/zinc/17/06/16/1223170616.db2.gz LRAGRKPSJLQYPP-WBVHZDCISA-N 2 2 374.489 0.582 20 0 FCADLP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160825502 1223176196 /nfs/dbraw/zinc/17/61/96/1223176196.db2.gz ARWZSJLQDPTZKX-GDBMZVCRSA-N 2 2 357.414 0.671 20 0 FCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160837886 1223176991 /nfs/dbraw/zinc/17/69/91/1223176991.db2.gz DOKGFGGSYJIEBU-OAHLLOKOSA-N 2 2 360.462 0.104 20 0 FCADLP O=C(Cc1ccccc1)N1CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160940988 1223181145 /nfs/dbraw/zinc/18/11/45/1223181145.db2.gz QCIDNPJUFPNBQZ-OKZBNKHCSA-N 2 2 356.470 0.240 20 0 FCADLP C[NH+]1CCN(c2cccc(NCCOCCN3C(=O)C=CC3=O)[nH+]2)CC1 ZINC001161028444 1223183964 /nfs/dbraw/zinc/18/39/64/1223183964.db2.gz XZXNVDFFVOATGX-UHFFFAOYSA-N 2 2 359.430 0.187 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001161137507 1223186074 /nfs/dbraw/zinc/18/60/74/1223186074.db2.gz FOJBCBRKFKUUMH-QRWLVFNGSA-N 2 2 357.454 0.898 20 0 FCADLP COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161146451 1223186907 /nfs/dbraw/zinc/18/69/07/1223186907.db2.gz PXAVOSQEJZAFCD-QGZVFWFLSA-N 2 2 374.485 0.343 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161239133 1223191055 /nfs/dbraw/zinc/19/10/55/1223191055.db2.gz XDSMLKDCCFLXLR-SYNHAJSKSA-N 2 2 372.469 0.028 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001161239133 1223191057 /nfs/dbraw/zinc/19/10/57/1223191057.db2.gz XDSMLKDCCFLXLR-SYNHAJSKSA-N 2 2 372.469 0.028 20 0 FCADLP O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161246861 1223192473 /nfs/dbraw/zinc/19/24/73/1223192473.db2.gz QUQSWDYTXKIIQM-AUUYWEPGSA-N 2 2 357.458 0.751 20 0 FCADLP CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253375 1223192569 /nfs/dbraw/zinc/19/25/69/1223192569.db2.gz QOWGCGQNCQFGOF-HZPDHXFCSA-N 2 2 359.474 0.798 20 0 FCADLP CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001161253375 1223192571 /nfs/dbraw/zinc/19/25/71/1223192571.db2.gz QOWGCGQNCQFGOF-HZPDHXFCSA-N 2 2 359.474 0.798 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)CC2)cc[nH+]1 ZINC001161306574 1223194808 /nfs/dbraw/zinc/19/48/08/1223194808.db2.gz RBWNSQCUOHWKNN-INIZCTEOSA-N 2 2 363.462 0.373 20 0 FCADLP COC(=O)[C@H]1C[C@@H](C(=O)N(C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001161321598 1223196108 /nfs/dbraw/zinc/19/61/08/1223196108.db2.gz LLWGSKRYKVDSQV-QBYUYEEZSA-N 2 2 367.490 0.805 20 0 FCADLP COc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)C2)nc1 ZINC001161368168 1223197276 /nfs/dbraw/zinc/19/72/76/1223197276.db2.gz FTGNZRRVLYDKJC-CVEARBPZSA-N 2 2 359.430 0.764 20 0 FCADLP Cc1ccc(CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395239 1223197802 /nfs/dbraw/zinc/19/78/02/1223197802.db2.gz BHWMPUPZPHSYTI-JYJNAYRXSA-N 2 2 357.462 0.677 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2NCN[C@@H]21 ZINC001162437278 1223215725 /nfs/dbraw/zinc/21/57/25/1223215725.db2.gz BENUJVVYYDKBKW-AQNXPRMDSA-N 2 2 365.485 0.137 20 0 FCADLP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2NCN[C@@H]21 ZINC001162437278 1223215731 /nfs/dbraw/zinc/21/57/31/1223215731.db2.gz BENUJVVYYDKBKW-AQNXPRMDSA-N 2 2 365.485 0.137 20 0 FCADLP CCCCOCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163005321 1223223449 /nfs/dbraw/zinc/22/34/49/1223223449.db2.gz FMMNDYKEXJLEEV-MSOLQXFVSA-N 2 2 371.522 0.779 20 0 FCADLP Cc1ncoc1C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996475 1223223490 /nfs/dbraw/zinc/22/34/90/1223223490.db2.gz TURWXWIDQFWIHC-CVEARBPZSA-N 2 2 366.462 0.459 20 0 FCADLP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)no1 ZINC001162996534 1223223644 /nfs/dbraw/zinc/22/36/44/1223223644.db2.gz VBNQEEZSXTUWDR-SJORKVTESA-N 2 2 366.462 0.459 20 0 FCADLP COc1ccc(C[NH+]2CCN(C)CC2)cc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163254617 1223228565 /nfs/dbraw/zinc/22/85/65/1223228565.db2.gz OPXFWDSBDJRTQA-IEBWSBKVSA-N 2 2 359.474 0.433 20 0 FCADLP COc1ccc(C[NH+]2CCN(C)CC2)cc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163254619 1223228719 /nfs/dbraw/zinc/22/87/19/1223228719.db2.gz OPXFWDSBDJRTQA-PKOBYXMFSA-N 2 2 359.474 0.433 20 0 FCADLP C[NH+]1CCN(C(=O)C2CCN(c3cccc(N4CCOCC4)[nH+]3)CC2)CC1 ZINC001165085372 1223241610 /nfs/dbraw/zinc/24/16/10/1223241610.db2.gz NMSDFXCLLXOTIB-UHFFFAOYSA-N 2 2 373.501 0.909 20 0 FCADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001165314360 1223244671 /nfs/dbraw/zinc/24/46/71/1223244671.db2.gz REMKGAJPWDURPI-UHFFFAOYSA-N 2 2 372.502 0.720 20 0 FCADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc(N3CCSCC3)nc[nH+]1)C2 ZINC001165314360 1223244672 /nfs/dbraw/zinc/24/46/72/1223244672.db2.gz REMKGAJPWDURPI-UHFFFAOYSA-N 2 2 372.502 0.720 20 0 FCADLP COc1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)n1 ZINC001166961085 1223290564 /nfs/dbraw/zinc/29/05/64/1223290564.db2.gz ODCOUBDIXAIHOH-HUUCEWRRSA-N 2 2 358.446 0.927 20 0 FCADLP C[NH+](C)CCC(=O)N1CC2(CC[NH+](Cc3cnon3)CC2)[C@H]2COC[C@H]21 ZINC001205510899 1223329298 /nfs/dbraw/zinc/32/92/98/1223329298.db2.gz NRLQCPWHZIZEQX-JKSUJKDBSA-N 2 2 363.462 0.461 20 0 FCADLP COCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001205741568 1223336714 /nfs/dbraw/zinc/33/67/14/1223336714.db2.gz LXMPVUWOMIOZPC-MSOLQXFVSA-N 2 2 369.506 0.341 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586021 1223362424 /nfs/dbraw/zinc/36/24/24/1223362424.db2.gz LELBJGOKLMLOEQ-MCIONIFRSA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001206586021 1223362426 /nfs/dbraw/zinc/36/24/26/1223362426.db2.gz LELBJGOKLMLOEQ-MCIONIFRSA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206586021 1223362429 /nfs/dbraw/zinc/36/24/29/1223362429.db2.gz LELBJGOKLMLOEQ-MCIONIFRSA-N 2 2 367.494 0.141 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206586021 1223362433 /nfs/dbraw/zinc/36/24/33/1223362433.db2.gz LELBJGOKLMLOEQ-MCIONIFRSA-N 2 2 367.494 0.141 20 0 FCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)n1C ZINC001206792760 1223370454 /nfs/dbraw/zinc/37/04/54/1223370454.db2.gz HSZJAHTWDIJAHA-QILLFSRXSA-N 2 2 370.457 0.785 20 0 FCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)n1C ZINC001206792760 1223370456 /nfs/dbraw/zinc/37/04/56/1223370456.db2.gz HSZJAHTWDIJAHA-QILLFSRXSA-N 2 2 370.457 0.785 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206921554 1223388306 /nfs/dbraw/zinc/38/83/06/1223388306.db2.gz WLHBKLXWKCKPSA-TZMCWYRMSA-N 2 2 369.429 0.315 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206921554 1223388309 /nfs/dbraw/zinc/38/83/09/1223388309.db2.gz WLHBKLXWKCKPSA-TZMCWYRMSA-N 2 2 369.429 0.315 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986473 1223401919 /nfs/dbraw/zinc/40/19/19/1223401919.db2.gz OLPTUNVKMPYEME-GDBMZVCRSA-N 2 2 364.494 0.021 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001206986473 1223401922 /nfs/dbraw/zinc/40/19/22/1223401922.db2.gz OLPTUNVKMPYEME-GDBMZVCRSA-N 2 2 364.494 0.021 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207537615 1223452312 /nfs/dbraw/zinc/45/23/12/1223452312.db2.gz FEBFLAGIIDFQAK-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207537615 1223452322 /nfs/dbraw/zinc/45/23/22/1223452322.db2.gz FEBFLAGIIDFQAK-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001207537615 1223452324 /nfs/dbraw/zinc/45/23/24/1223452324.db2.gz FEBFLAGIIDFQAK-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207537615 1223452329 /nfs/dbraw/zinc/45/23/29/1223452329.db2.gz FEBFLAGIIDFQAK-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547014 1223454153 /nfs/dbraw/zinc/45/41/53/1223454153.db2.gz IJLPVXBYWGKTPT-NXHRZFHOSA-N 2 2 363.506 0.676 20 0 FCADLP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001207547014 1223454155 /nfs/dbraw/zinc/45/41/55/1223454155.db2.gz IJLPVXBYWGKTPT-NXHRZFHOSA-N 2 2 363.506 0.676 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207546975 1223454546 /nfs/dbraw/zinc/45/45/46/1223454546.db2.gz HFVGJBVFSGKFDU-KBAYOESNSA-N 2 2 356.474 0.845 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001207546975 1223454548 /nfs/dbraw/zinc/45/45/48/1223454548.db2.gz HFVGJBVFSGKFDU-KBAYOESNSA-N 2 2 356.474 0.845 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686543 1223471080 /nfs/dbraw/zinc/47/10/80/1223471080.db2.gz FPQQZTCMWFFWDT-MUIFIZLQSA-N 2 2 366.506 0.010 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001207686543 1223471084 /nfs/dbraw/zinc/47/10/84/1223471084.db2.gz FPQQZTCMWFFWDT-MUIFIZLQSA-N 2 2 366.506 0.010 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001207686543 1223471087 /nfs/dbraw/zinc/47/10/87/1223471087.db2.gz FPQQZTCMWFFWDT-MUIFIZLQSA-N 2 2 366.506 0.010 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)CC2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001207686543 1223471089 /nfs/dbraw/zinc/47/10/89/1223471089.db2.gz FPQQZTCMWFFWDT-MUIFIZLQSA-N 2 2 366.506 0.010 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405090 1223539274 /nfs/dbraw/zinc/53/92/74/1223539274.db2.gz JFWCMISANRTGIO-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208405090 1223539279 /nfs/dbraw/zinc/53/92/79/1223539279.db2.gz JFWCMISANRTGIO-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208405090 1223539283 /nfs/dbraw/zinc/53/92/83/1223539283.db2.gz JFWCMISANRTGIO-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208405090 1223539288 /nfs/dbraw/zinc/53/92/88/1223539288.db2.gz JFWCMISANRTGIO-ZACQAIPSSA-N 2 2 368.522 0.399 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C)CC2 ZINC001208427983 1223544534 /nfs/dbraw/zinc/54/45/34/1223544534.db2.gz ISBMSBAMHLKWHN-FRFSOERESA-N 2 2 361.490 0.715 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C)CC2 ZINC001208427983 1223544537 /nfs/dbraw/zinc/54/45/37/1223544537.db2.gz ISBMSBAMHLKWHN-FRFSOERESA-N 2 2 361.490 0.715 20 0 FCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001208670546 1223568047 /nfs/dbraw/zinc/56/80/47/1223568047.db2.gz QIQFRONKJBYIMW-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276605493 1223590494 /nfs/dbraw/zinc/59/04/94/1223590494.db2.gz JQZYJLOJZUQWHS-DNVCBOLYSA-N 2 2 369.506 0.829 20 0 FCADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001276605493 1223590495 /nfs/dbraw/zinc/59/04/95/1223590495.db2.gz JQZYJLOJZUQWHS-DNVCBOLYSA-N 2 2 369.506 0.829 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209028193 1223593440 /nfs/dbraw/zinc/59/34/40/1223593440.db2.gz DMTTZQNWBASBJR-FRRDWIJNSA-N 2 2 364.450 0.026 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001209028193 1223593446 /nfs/dbraw/zinc/59/34/46/1223593446.db2.gz DMTTZQNWBASBJR-FRRDWIJNSA-N 2 2 364.450 0.026 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCCN(CC[NH+]1CCCC1)C2 ZINC001276610969 1223594754 /nfs/dbraw/zinc/59/47/54/1223594754.db2.gz HJGICUOTBGODBC-LJQANCHMSA-N 2 2 361.490 0.567 20 0 FCADLP COC(C)(C)CC[N@@H+]1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001209407182 1223619090 /nfs/dbraw/zinc/61/90/90/1223619090.db2.gz XIWRJHVIJQNZQZ-UHFFFAOYSA-N 2 2 363.506 0.981 20 0 FCADLP COC(C)(C)CC[N@H+]1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001209407182 1223619093 /nfs/dbraw/zinc/61/90/93/1223619093.db2.gz XIWRJHVIJQNZQZ-UHFFFAOYSA-N 2 2 363.506 0.981 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001209499241 1223625185 /nfs/dbraw/zinc/62/51/85/1223625185.db2.gz SPQRRTZZENIBCC-RHSMWYFYSA-N 2 2 361.490 0.934 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001209499241 1223625189 /nfs/dbraw/zinc/62/51/89/1223625189.db2.gz SPQRRTZZENIBCC-RHSMWYFYSA-N 2 2 361.490 0.934 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001209506146 1223625521 /nfs/dbraw/zinc/62/55/21/1223625521.db2.gz GLKABEWMBUFROK-CRAIPNDOSA-N 2 2 362.474 0.749 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001209506146 1223625523 /nfs/dbraw/zinc/62/55/23/1223625523.db2.gz GLKABEWMBUFROK-CRAIPNDOSA-N 2 2 362.474 0.749 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)ccn1 ZINC001209640017 1223636567 /nfs/dbraw/zinc/63/65/67/1223636567.db2.gz ZRJWOVOENHFJIL-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)ccn1 ZINC001209640017 1223636569 /nfs/dbraw/zinc/63/65/69/1223636569.db2.gz ZRJWOVOENHFJIL-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)ccn1 ZINC001209640017 1223636573 /nfs/dbraw/zinc/63/65/73/1223636573.db2.gz ZRJWOVOENHFJIL-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)ccn1 ZINC001209640017 1223636575 /nfs/dbraw/zinc/63/65/75/1223636575.db2.gz ZRJWOVOENHFJIL-IAGOWNOFSA-N 2 2 362.474 0.701 20 0 FCADLP Nc1cc[nH+]cc1C[N@H+]1C[C@@H](NC(=O)c2ccno2)[C@H]2OCCC[C@H]2C1 ZINC001209731623 1223645482 /nfs/dbraw/zinc/64/54/82/1223645482.db2.gz YIVZADXDTTUORC-MJEQTWJJSA-N 2 2 357.414 0.892 20 0 FCADLP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H](NC(=O)c2ccno2)[C@H]2OCCC[C@H]2C1 ZINC001209731623 1223645484 /nfs/dbraw/zinc/64/54/84/1223645484.db2.gz YIVZADXDTTUORC-MJEQTWJJSA-N 2 2 357.414 0.892 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC001210032817 1223663041 /nfs/dbraw/zinc/66/30/41/1223663041.db2.gz AWKJAELFWZCOAD-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC001210032817 1223663045 /nfs/dbraw/zinc/66/30/45/1223663045.db2.gz AWKJAELFWZCOAD-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC001210032817 1223663048 /nfs/dbraw/zinc/66/30/48/1223663048.db2.gz AWKJAELFWZCOAD-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C ZINC001210032817 1223663051 /nfs/dbraw/zinc/66/30/51/1223663051.db2.gz AWKJAELFWZCOAD-UKRRQHHQSA-N 2 2 360.462 0.301 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001210212806 1223675947 /nfs/dbraw/zinc/67/59/47/1223675947.db2.gz CFJKDNZJOODGBF-MDYRTPRTSA-N 2 2 360.502 0.988 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001210212806 1223675948 /nfs/dbraw/zinc/67/59/48/1223675948.db2.gz CFJKDNZJOODGBF-MDYRTPRTSA-N 2 2 360.502 0.988 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298174 1223681805 /nfs/dbraw/zinc/68/18/05/1223681805.db2.gz LQZDJIFAMFCXAH-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210298174 1223681806 /nfs/dbraw/zinc/68/18/06/1223681806.db2.gz LQZDJIFAMFCXAH-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210298174 1223681809 /nfs/dbraw/zinc/68/18/09/1223681809.db2.gz LQZDJIFAMFCXAH-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210298174 1223681811 /nfs/dbraw/zinc/68/18/11/1223681811.db2.gz LQZDJIFAMFCXAH-BFYDXBDKSA-N 2 2 362.474 0.674 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718554 1223705162 /nfs/dbraw/zinc/70/51/62/1223705162.db2.gz VGCUOCJHXQRHFY-BPQIPLTHSA-N 2 2 366.506 0.823 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210718554 1223705164 /nfs/dbraw/zinc/70/51/64/1223705164.db2.gz VGCUOCJHXQRHFY-BPQIPLTHSA-N 2 2 366.506 0.823 20 0 FCADLP O=C1C[C@@]2(CCC[N@H+](C[C@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693170 1223720131 /nfs/dbraw/zinc/72/01/31/1223720131.db2.gz DXBUHXUWJPELFR-MAUKXSAKSA-N 2 2 362.430 0.140 20 0 FCADLP O=C1C[C@@]2(CCC[N@@H+](C[C@H]3COCCO3)C2)C(=O)N1CCn1cc[nH+]c1 ZINC001276693170 1223720132 /nfs/dbraw/zinc/72/01/32/1223720132.db2.gz DXBUHXUWJPELFR-MAUKXSAKSA-N 2 2 362.430 0.140 20 0 FCADLP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046730 1223721995 /nfs/dbraw/zinc/72/19/95/1223721995.db2.gz UZNORHGNQAJZBR-BFYDXBDKSA-N 2 2 361.490 0.690 20 0 FCADLP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046730 1223721998 /nfs/dbraw/zinc/72/19/98/1223721998.db2.gz UZNORHGNQAJZBR-BFYDXBDKSA-N 2 2 361.490 0.690 20 0 FCADLP CO[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203725 1223767055 /nfs/dbraw/zinc/76/70/55/1223767055.db2.gz YEDQCTOIKXMGET-GVDBMIGSSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213203725 1223767057 /nfs/dbraw/zinc/76/70/57/1223767057.db2.gz YEDQCTOIKXMGET-GVDBMIGSSA-N 2 2 364.490 0.985 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346284 1223788791 /nfs/dbraw/zinc/78/87/91/1223788791.db2.gz FYBJPHQWYUCIPS-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213346284 1223788795 /nfs/dbraw/zinc/78/87/95/1223788795.db2.gz FYBJPHQWYUCIPS-IAGOWNOFSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374791 1223791903 /nfs/dbraw/zinc/79/19/03/1223791903.db2.gz XVMNHHXJXAKPQC-BHUNQDJPSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374791 1223791906 /nfs/dbraw/zinc/79/19/06/1223791906.db2.gz XVMNHHXJXAKPQC-BHUNQDJPSA-N 2 2 368.522 0.448 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399785 1223794688 /nfs/dbraw/zinc/79/46/88/1223794688.db2.gz KPMXDXYURFBPFT-DJIMGWMZSA-N 2 2 366.510 0.508 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399785 1223794690 /nfs/dbraw/zinc/79/46/90/1223794690.db2.gz KPMXDXYURFBPFT-DJIMGWMZSA-N 2 2 366.510 0.508 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449089 1223800282 /nfs/dbraw/zinc/80/02/82/1223800282.db2.gz GBSFTYXQVZWOLT-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449089 1223800284 /nfs/dbraw/zinc/80/02/84/1223800284.db2.gz GBSFTYXQVZWOLT-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449089 1223800285 /nfs/dbraw/zinc/80/02/85/1223800285.db2.gz GBSFTYXQVZWOLT-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CCCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449089 1223800288 /nfs/dbraw/zinc/80/02/88/1223800288.db2.gz GBSFTYXQVZWOLT-BZUAXINKSA-N 2 2 370.538 0.694 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001213499826 1223806063 /nfs/dbraw/zinc/80/60/63/1223806063.db2.gz CIDXTJBQNBKQJP-ARFHVFGLSA-N 2 2 363.462 0.272 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001213499826 1223806066 /nfs/dbraw/zinc/80/60/66/1223806066.db2.gz CIDXTJBQNBKQJP-ARFHVFGLSA-N 2 2 363.462 0.272 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578764 1223816747 /nfs/dbraw/zinc/81/67/47/1223816747.db2.gz VUYAULBAKAEOIB-FVQBIDKESA-N 2 2 365.478 0.264 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001213578764 1223816748 /nfs/dbraw/zinc/81/67/48/1223816748.db2.gz VUYAULBAKAEOIB-FVQBIDKESA-N 2 2 365.478 0.264 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213594695 1223820127 /nfs/dbraw/zinc/82/01/27/1223820127.db2.gz NILGJRFDSMXIBA-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1OC ZINC001213594695 1223820128 /nfs/dbraw/zinc/82/01/28/1223820128.db2.gz NILGJRFDSMXIBA-GVDBMIGSSA-N 2 2 368.522 0.545 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629256 1223825588 /nfs/dbraw/zinc/82/55/88/1223825588.db2.gz QDRHNZONFXPBBA-QZTJIDSGSA-N 2 2 362.474 0.508 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213629256 1223825591 /nfs/dbraw/zinc/82/55/91/1223825591.db2.gz QDRHNZONFXPBBA-QZTJIDSGSA-N 2 2 362.474 0.508 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728202 1223839700 /nfs/dbraw/zinc/83/97/00/1223839700.db2.gz FEJRNWUKIZWWFJ-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728202 1223839704 /nfs/dbraw/zinc/83/97/04/1223839704.db2.gz FEJRNWUKIZWWFJ-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759305 1223845395 /nfs/dbraw/zinc/84/53/95/1223845395.db2.gz FXUQVGHZYATDLV-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759305 1223845396 /nfs/dbraw/zinc/84/53/96/1223845396.db2.gz FXUQVGHZYATDLV-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1OC ZINC001213759305 1223845400 /nfs/dbraw/zinc/84/54/00/1223845400.db2.gz FXUQVGHZYATDLV-BZUAXINKSA-N 2 2 370.538 0.837 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213763295 1223846150 /nfs/dbraw/zinc/84/61/50/1223846150.db2.gz NCCMFWKTLHORBL-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213763295 1223846152 /nfs/dbraw/zinc/84/61/52/1223846152.db2.gz NCCMFWKTLHORBL-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213763295 1223846153 /nfs/dbraw/zinc/84/61/53/1223846153.db2.gz NCCMFWKTLHORBL-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001213763295 1223846156 /nfs/dbraw/zinc/84/61/56/1223846156.db2.gz NCCMFWKTLHORBL-BRWVUGGUSA-N 2 2 370.538 0.694 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213767382 1223847086 /nfs/dbraw/zinc/84/70/86/1223847086.db2.gz QUJYPBRFDLQLTR-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213767382 1223847089 /nfs/dbraw/zinc/84/70/89/1223847089.db2.gz QUJYPBRFDLQLTR-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213767382 1223847091 /nfs/dbraw/zinc/84/70/91/1223847091.db2.gz QUJYPBRFDLQLTR-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1OC ZINC001213767382 1223847092 /nfs/dbraw/zinc/84/70/92/1223847092.db2.gz QUJYPBRFDLQLTR-IAGOWNOFSA-N 2 2 370.538 0.789 20 0 FCADLP Cn1cnnc1CN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705748 1223858535 /nfs/dbraw/zinc/85/85/35/1223858535.db2.gz SOIYTJNAEROIGL-KRWDZBQOSA-N 2 2 357.418 0.053 20 0 FCADLP Cn1cnnc1CN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276705748 1223858536 /nfs/dbraw/zinc/85/85/36/1223858536.db2.gz SOIYTJNAEROIGL-KRWDZBQOSA-N 2 2 357.418 0.053 20 0 FCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857037 1223861799 /nfs/dbraw/zinc/86/17/99/1223861799.db2.gz FZMGLURXVULSHW-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857037 1223861803 /nfs/dbraw/zinc/86/18/03/1223861803.db2.gz FZMGLURXVULSHW-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857037 1223861804 /nfs/dbraw/zinc/86/18/04/1223861804.db2.gz FZMGLURXVULSHW-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857037 1223861805 /nfs/dbraw/zinc/86/18/05/1223861805.db2.gz FZMGLURXVULSHW-GVDBMIGSSA-N 2 2 368.522 0.402 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863587 1223863993 /nfs/dbraw/zinc/86/39/93/1223863993.db2.gz OPYMHCZVUDHNLX-KBAYOESNSA-N 2 2 362.474 0.365 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863587 1223863994 /nfs/dbraw/zinc/86/39/94/1223863994.db2.gz OPYMHCZVUDHNLX-KBAYOESNSA-N 2 2 362.474 0.365 20 0 FCADLP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863071 1223864175 /nfs/dbraw/zinc/86/41/75/1223864175.db2.gz BROOLFVVONBIDR-RCCFBDPRSA-N 2 2 371.522 0.587 20 0 FCADLP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863071 1223864176 /nfs/dbraw/zinc/86/41/76/1223864176.db2.gz BROOLFVVONBIDR-RCCFBDPRSA-N 2 2 371.522 0.587 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@H]32)CC[N@@H+]1C ZINC000978157182 1248709403 /nfs/dbraw/zinc/70/94/03/1248709403.db2.gz AWUURRZKLGEWSK-BTAUDXDXSA-N 2 2 358.490 0.816 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4nnc(C5CC5)[nH]4)C[C@H]32)CC[N@H+]1C ZINC000978157182 1248709414 /nfs/dbraw/zinc/70/94/14/1248709414.db2.gz AWUURRZKLGEWSK-BTAUDXDXSA-N 2 2 358.490 0.816 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C5CC5)[nH]4)C[C@H]32)CC[NH+]1C ZINC000978157182 1248709422 /nfs/dbraw/zinc/70/94/22/1248709422.db2.gz AWUURRZKLGEWSK-BTAUDXDXSA-N 2 2 358.490 0.816 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C5CC5)[nH]4)C[C@H]32)CC[NH+]1C ZINC000978157182 1248709432 /nfs/dbraw/zinc/70/94/32/1248709432.db2.gz AWUURRZKLGEWSK-BTAUDXDXSA-N 2 2 358.490 0.816 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001213917021 1223871897 /nfs/dbraw/zinc/87/18/97/1223871897.db2.gz XCXLGBJOOCDANR-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@H](OC)C2)C1=O ZINC001213917021 1223871898 /nfs/dbraw/zinc/87/18/98/1223871898.db2.gz XCXLGBJOOCDANR-IXDOHACOSA-N 2 2 366.506 0.299 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921907 1223872824 /nfs/dbraw/zinc/87/28/24/1223872824.db2.gz MMVQFJYNVGCVEO-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921907 1223872825 /nfs/dbraw/zinc/87/28/25/1223872825.db2.gz MMVQFJYNVGCVEO-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921503 1223873149 /nfs/dbraw/zinc/87/31/49/1223873149.db2.gz CBAUQJQJWZCBFG-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921503 1223873151 /nfs/dbraw/zinc/87/31/51/1223873151.db2.gz CBAUQJQJWZCBFG-QZTJIDSGSA-N 2 2 361.490 0.976 20 0 FCADLP COc1ncc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)c(C)n1 ZINC001213927411 1223874430 /nfs/dbraw/zinc/87/44/30/1223874430.db2.gz IQOLJUMUMUEJKY-HZPDHXFCSA-N 2 2 365.478 0.449 20 0 FCADLP COc1ncc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C2)c(C)n1 ZINC001213927411 1223874431 /nfs/dbraw/zinc/87/44/31/1223874431.db2.gz IQOLJUMUMUEJKY-HZPDHXFCSA-N 2 2 365.478 0.449 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C2)c(C)n1 ZINC001213927411 1223874433 /nfs/dbraw/zinc/87/44/33/1223874433.db2.gz IQOLJUMUMUEJKY-HZPDHXFCSA-N 2 2 365.478 0.449 20 0 FCADLP COc1ncc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C2)c(C)n1 ZINC001213927411 1223874435 /nfs/dbraw/zinc/87/44/35/1223874435.db2.gz IQOLJUMUMUEJKY-HZPDHXFCSA-N 2 2 365.478 0.449 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929580 1223874502 /nfs/dbraw/zinc/87/45/02/1223874502.db2.gz CGMQCMNLHSZJOW-DJIMGWMZSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929580 1223874504 /nfs/dbraw/zinc/87/45/04/1223874504.db2.gz CGMQCMNLHSZJOW-DJIMGWMZSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929580 1223874505 /nfs/dbraw/zinc/87/45/05/1223874505.db2.gz CGMQCMNLHSZJOW-DJIMGWMZSA-N 2 2 370.538 0.835 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929580 1223874506 /nfs/dbraw/zinc/87/45/06/1223874506.db2.gz CGMQCMNLHSZJOW-DJIMGWMZSA-N 2 2 370.538 0.835 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930150 1223875006 /nfs/dbraw/zinc/87/50/06/1223875006.db2.gz XTQAADMLWZPPIF-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213930150 1223875008 /nfs/dbraw/zinc/87/50/08/1223875008.db2.gz XTQAADMLWZPPIF-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213930150 1223875010 /nfs/dbraw/zinc/87/50/10/1223875010.db2.gz XTQAADMLWZPPIF-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[NH+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213930150 1223875012 /nfs/dbraw/zinc/87/50/12/1223875012.db2.gz XTQAADMLWZPPIF-IXDOHACOSA-N 2 2 366.506 0.295 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975275 1223880156 /nfs/dbraw/zinc/88/01/56/1223880156.db2.gz AAWAUUWGFDGZOS-BRWVUGGUSA-N 2 2 362.474 0.198 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975275 1223880157 /nfs/dbraw/zinc/88/01/57/1223880157.db2.gz AAWAUUWGFDGZOS-BRWVUGGUSA-N 2 2 362.474 0.198 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975275 1223880158 /nfs/dbraw/zinc/88/01/58/1223880158.db2.gz AAWAUUWGFDGZOS-BRWVUGGUSA-N 2 2 362.474 0.198 20 0 FCADLP CC[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213975275 1223880159 /nfs/dbraw/zinc/88/01/59/1223880159.db2.gz AAWAUUWGFDGZOS-BRWVUGGUSA-N 2 2 362.474 0.198 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001214986681 1223961925 /nfs/dbraw/zinc/96/19/25/1223961925.db2.gz PLTQVGSAJCBUPX-UKPHBRMFSA-N 2 2 359.474 0.408 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215005659 1223962735 /nfs/dbraw/zinc/96/27/35/1223962735.db2.gz CPYMDDFIDNUDBV-VNQPRFMTSA-N 2 2 359.474 0.408 20 0 FCADLP CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024453 1223964824 /nfs/dbraw/zinc/96/48/24/1223964824.db2.gz KVKJHIQVNMFBAQ-CZUORRHYSA-N 2 2 365.478 0.559 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC(C)C)C1 ZINC001215455682 1224000668 /nfs/dbraw/zinc/00/06/68/1224000668.db2.gz BLHXXXFEAKRWNP-XOKHGSTOSA-N 2 2 365.478 0.318 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOC(C)C)C1 ZINC001215455682 1224000669 /nfs/dbraw/zinc/00/06/69/1224000669.db2.gz BLHXXXFEAKRWNP-XOKHGSTOSA-N 2 2 365.478 0.318 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001215514337 1224003173 /nfs/dbraw/zinc/00/31/73/1224003173.db2.gz KGKXRYVCSKLDTK-XNRPHZJLSA-N 2 2 359.474 0.792 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001215558178 1224006558 /nfs/dbraw/zinc/00/65/58/1224006558.db2.gz NDKWTLGPNIGJON-VQIMIIECSA-N 2 2 370.501 0.926 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001215558178 1224006562 /nfs/dbraw/zinc/00/65/62/1224006562.db2.gz NDKWTLGPNIGJON-VQIMIIECSA-N 2 2 370.501 0.926 20 0 FCADLP Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685166 1224012417 /nfs/dbraw/zinc/01/24/17/1224012417.db2.gz NVHCPAZRXXULFQ-QMTHXVAHSA-N 2 2 359.434 0.367 20 0 FCADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001215743224 1224015100 /nfs/dbraw/zinc/01/51/00/1224015100.db2.gz YZLPZOJKAOYVIC-OWCLPIDISA-N 2 2 366.506 0.202 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001215934560 1224024956 /nfs/dbraw/zinc/02/49/56/1224024956.db2.gz YMBFUPHWSJYYKD-GDBMZVCRSA-N 2 2 365.478 0.817 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)NCc1ccco1 ZINC001216066011 1224032556 /nfs/dbraw/zinc/03/25/56/1224032556.db2.gz XHJROQPTULJPTR-VNHYZAJKSA-N 2 2 359.430 0.687 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCOC[C@H]1CCCCO1 ZINC001216393053 1224048590 /nfs/dbraw/zinc/04/85/90/1224048590.db2.gz UZILQUBTYSQJQV-KBAYOESNSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC001216393151 1224048720 /nfs/dbraw/zinc/04/87/20/1224048720.db2.gz XZTPNOMKNUZYPQ-UKRRQHHQSA-N 2 2 361.490 0.992 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001216565399 1224055624 /nfs/dbraw/zinc/05/56/24/1224055624.db2.gz KGYOOPIBYXMAOU-IUODEOHRSA-N 2 2 364.494 0.795 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001216560461 1224055632 /nfs/dbraw/zinc/05/56/32/1224055632.db2.gz FYTUBAZLZARNQI-BXUZGUMPSA-N 2 2 357.418 0.126 20 0 FCADLP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216858880 1224079729 /nfs/dbraw/zinc/07/97/29/1224079729.db2.gz CPMBXTLWYQQFBD-NXHRZFHOSA-N 2 2 364.490 0.784 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC001217000850 1224083976 /nfs/dbraw/zinc/08/39/76/1224083976.db2.gz RBYQKXPNIZQQMR-NVXWUHKLSA-N 2 2 355.442 0.983 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986771211 1248994715 /nfs/dbraw/zinc/99/47/15/1248994715.db2.gz KWEUAFLBHNDARW-MXSMSXNCSA-N 2 2 373.501 0.989 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)CC[N@H+]1C ZINC000986771211 1248994723 /nfs/dbraw/zinc/99/47/23/1248994723.db2.gz KWEUAFLBHNDARW-MXSMSXNCSA-N 2 2 373.501 0.989 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993327360 1249472452 /nfs/dbraw/zinc/47/24/52/1249472452.db2.gz WCKWUFXBEQOBKC-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993327360 1249472457 /nfs/dbraw/zinc/47/24/57/1249472457.db2.gz WCKWUFXBEQOBKC-KHYOSLBOSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993435091 1249532748 /nfs/dbraw/zinc/53/27/48/1249532748.db2.gz GRNKLFHUIRCVBU-FCEWJHQRSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993435091 1249532767 /nfs/dbraw/zinc/53/27/67/1249532767.db2.gz GRNKLFHUIRCVBU-FCEWJHQRSA-N 2 2 359.474 0.674 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000993576234 1249721634 /nfs/dbraw/zinc/72/16/34/1249721634.db2.gz IWWYREYMYOQUAP-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000993576234 1249721643 /nfs/dbraw/zinc/72/16/43/1249721643.db2.gz IWWYREYMYOQUAP-ARFHVFGLSA-N 2 2 359.474 0.583 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C(F)F)C[C@H]1c1c[nH+]cn1C ZINC000993578907 1249725967 /nfs/dbraw/zinc/72/59/67/1249725967.db2.gz MTDGTSNEOBMEFB-VXGBXAGGSA-N 2 2 366.372 0.301 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000993579423 1249729001 /nfs/dbraw/zinc/72/90/01/1249729001.db2.gz PNASTIHJNJTAMA-CHWSQXEVSA-N 2 2 369.416 0.438 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C1(C)CC1 ZINC000993589687 1249747094 /nfs/dbraw/zinc/74/70/94/1249747094.db2.gz DKFSJZVPBOGHCS-RBSFLKMASA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)C1(C)CC1 ZINC000993589687 1249747102 /nfs/dbraw/zinc/74/71/02/1249747102.db2.gz DKFSJZVPBOGHCS-RBSFLKMASA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C(C)(C)C ZINC000993591143 1249750353 /nfs/dbraw/zinc/75/03/53/1249750353.db2.gz LNHLMBNFGRNVLY-KFWWJZLASA-N 2 2 361.490 0.971 20 0 FCADLP 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/nfs/dbraw/zinc/89/31/36/1253893136.db2.gz PEQRKCTXVFHILG-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765778 1253893142 /nfs/dbraw/zinc/89/31/42/1253893142.db2.gz PEQRKCTXVFHILG-HLLBOEOZSA-N 2 2 366.506 0.155 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001032473688 1253922677 /nfs/dbraw/zinc/92/26/77/1253922677.db2.gz YVRWKRXGZGGNKE-LAVFITLUSA-N 2 2 361.490 0.450 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)cn1 ZINC001032473688 1253922685 /nfs/dbraw/zinc/92/26/85/1253922685.db2.gz YVRWKRXGZGGNKE-LAVFITLUSA-N 2 2 361.490 0.450 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cn1 ZINC001032473688 1253922695 /nfs/dbraw/zinc/92/26/95/1253922695.db2.gz YVRWKRXGZGGNKE-LAVFITLUSA-N 2 2 361.490 0.450 20 0 FCADLP CCn1cc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cn1 ZINC001032473688 1253922709 /nfs/dbraw/zinc/92/27/09/1253922709.db2.gz YVRWKRXGZGGNKE-LAVFITLUSA-N 2 2 361.490 0.450 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001033431627 1253965122 /nfs/dbraw/zinc/96/51/22/1253965122.db2.gz GKQRDSVGGMWJKR-BRWVUGGUSA-N 2 2 369.469 0.955 20 0 FCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001033431627 1253965135 /nfs/dbraw/zinc/96/51/35/1253965135.db2.gz GKQRDSVGGMWJKR-BRWVUGGUSA-N 2 2 369.469 0.955 20 0 FCADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034320834 1253990714 /nfs/dbraw/zinc/99/07/14/1253990714.db2.gz BARRTNONDBXDMS-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001034320834 1253990717 /nfs/dbraw/zinc/99/07/17/1253990717.db2.gz BARRTNONDBXDMS-KURKYZTESA-N 2 2 369.506 0.483 20 0 FCADLP CCn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001035055136 1254016005 /nfs/dbraw/zinc/01/60/05/1254016005.db2.gz XOVOSSJALKTAFL-FVQBIDKESA-N 2 2 357.462 0.916 20 0 FCADLP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001519902864 1265796486 /nfs/dbraw/zinc/79/64/86/1265796486.db2.gz VJUQWUVTCSXBQA-WBVHZDCISA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001519902864 1265796492 /nfs/dbraw/zinc/79/64/92/1265796492.db2.gz VJUQWUVTCSXBQA-WBVHZDCISA-N 2 2 355.527 0.373 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196131 1254019867 /nfs/dbraw/zinc/01/98/67/1254019867.db2.gz USOJIVGHBRTHBZ-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001035196131 1254019875 /nfs/dbraw/zinc/01/98/75/1254019875.db2.gz USOJIVGHBRTHBZ-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196131 1254019886 /nfs/dbraw/zinc/01/98/86/1254019886.db2.gz USOJIVGHBRTHBZ-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001035196131 1254019887 /nfs/dbraw/zinc/01/98/87/1254019887.db2.gz USOJIVGHBRTHBZ-RBSFLKMASA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCCN3CCCC3=O)CCO2)CC[N@@H+]1C ZINC001035370558 1254025543 /nfs/dbraw/zinc/02/55/43/1254025543.db2.gz CDTFNNWKOHVWMD-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCCN3CCCC3=O)CCO2)CC[N@H+]1C ZINC001035370558 1254025552 /nfs/dbraw/zinc/02/55/52/1254025552.db2.gz CDTFNNWKOHVWMD-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001035370558 1254025559 /nfs/dbraw/zinc/02/55/59/1254025559.db2.gz CDTFNNWKOHVWMD-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCCN3CCCC3=O)CCO2)CC[NH+]1C ZINC001035370558 1254025565 /nfs/dbraw/zinc/02/55/65/1254025565.db2.gz CDTFNNWKOHVWMD-IXDOHACOSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(c4ncccn4)C3)CC2)CC[N@@H+]1C ZINC001065199948 1254484420 /nfs/dbraw/zinc/48/44/20/1254484420.db2.gz FFRHLSFTEVWOBZ-BRWVUGGUSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(c4ncccn4)C3)CC2)CC[N@H+]1C ZINC001065199948 1254484425 /nfs/dbraw/zinc/48/44/25/1254484425.db2.gz FFRHLSFTEVWOBZ-BRWVUGGUSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)CC[NH+](C)C)CC3)C2)O1 ZINC001065714809 1254581784 /nfs/dbraw/zinc/58/17/84/1254581784.db2.gz ASWCYNZPNOIWDY-BRWVUGGUSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001520257754 1265890645 /nfs/dbraw/zinc/89/06/45/1265890645.db2.gz AAXCRMIPABIUJE-GDBMZVCRSA-N 2 2 363.510 0.906 20 0 FCADLP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CN(C)CC[N@H+]1C ZINC001520257754 1265890653 /nfs/dbraw/zinc/89/06/53/1265890653.db2.gz AAXCRMIPABIUJE-GDBMZVCRSA-N 2 2 363.510 0.906 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961972 1254655783 /nfs/dbraw/zinc/65/57/83/1254655783.db2.gz BFMLEPDSAFUHJT-TXPKVOOTSA-N 2 2 368.485 0.954 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961972 1254655798 /nfs/dbraw/zinc/65/57/98/1254655798.db2.gz BFMLEPDSAFUHJT-TXPKVOOTSA-N 2 2 368.485 0.954 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)N1CCCC1 ZINC001075960984 1254656423 /nfs/dbraw/zinc/65/64/23/1254656423.db2.gz HNEIPUMWUBBWEL-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1)N1CCCC1 ZINC001075960984 1254656437 /nfs/dbraw/zinc/65/64/37/1254656437.db2.gz HNEIPUMWUBBWEL-SOLBZPMBSA-N 2 2 371.485 0.601 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001075967330 1254661444 /nfs/dbraw/zinc/66/14/44/1254661444.db2.gz MJSTZMNCMKYZQR-HRCADAONSA-N 2 2 355.446 0.270 20 0 FCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001075967330 1254661455 /nfs/dbraw/zinc/66/14/55/1254661455.db2.gz MJSTZMNCMKYZQR-HRCADAONSA-N 2 2 355.446 0.270 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565563 1254698260 /nfs/dbraw/zinc/69/82/60/1254698260.db2.gz OHEGNSBDJYMKSS-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565563 1254698271 /nfs/dbraw/zinc/69/82/71/1254698271.db2.gz OHEGNSBDJYMKSS-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565563 1254698279 /nfs/dbraw/zinc/69/82/79/1254698279.db2.gz OHEGNSBDJYMKSS-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077565563 1254698292 /nfs/dbraw/zinc/69/82/92/1254698292.db2.gz OHEGNSBDJYMKSS-KZNAEPCWSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565525 1254700608 /nfs/dbraw/zinc/70/06/08/1254700608.db2.gz MSHLOKWZQATQCD-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565525 1254700620 /nfs/dbraw/zinc/70/06/20/1254700620.db2.gz MSHLOKWZQATQCD-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565525 1254700635 /nfs/dbraw/zinc/70/06/35/1254700635.db2.gz MSHLOKWZQATQCD-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2O)C1 ZINC001077565525 1254700647 /nfs/dbraw/zinc/70/06/47/1254700647.db2.gz MSHLOKWZQATQCD-KURKYZTESA-N 2 2 365.449 0.596 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077567046 1254705889 /nfs/dbraw/zinc/70/58/89/1254705889.db2.gz YIFDCEDTJFYCCM-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077567046 1254705910 /nfs/dbraw/zinc/70/59/10/1254705910.db2.gz YIFDCEDTJFYCCM-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567046 1254705924 /nfs/dbraw/zinc/70/59/24/1254705924.db2.gz YIFDCEDTJFYCCM-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP Cc1cccnc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077567046 1254705947 /nfs/dbraw/zinc/70/59/47/1254705947.db2.gz YIFDCEDTJFYCCM-KURKYZTESA-N 2 2 362.474 0.161 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680698 1254867918 /nfs/dbraw/zinc/86/79/18/1254867918.db2.gz STOKYDZIZPKZFL-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680698 1254867930 /nfs/dbraw/zinc/86/79/30/1254867930.db2.gz STOKYDZIZPKZFL-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680698 1254867942 /nfs/dbraw/zinc/86/79/42/1254867942.db2.gz STOKYDZIZPKZFL-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O)C1 ZINC001077680698 1254867956 /nfs/dbraw/zinc/86/79/56/1254867956.db2.gz STOKYDZIZPKZFL-MDZRGWNJSA-N 2 2 364.465 0.955 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685146 1254878053 /nfs/dbraw/zinc/87/80/53/1254878053.db2.gz ATNARQUYGVPGJE-RTBURBONSA-N 2 2 371.485 0.499 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077765337 1254961963 /nfs/dbraw/zinc/96/19/63/1254961963.db2.gz JZQQCOXYPYPATP-ARFHVFGLSA-N 2 2 364.490 0.983 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1O ZINC001077765337 1254961968 /nfs/dbraw/zinc/96/19/68/1254961968.db2.gz JZQQCOXYPYPATP-ARFHVFGLSA-N 2 2 364.490 0.983 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006338 1255162091 /nfs/dbraw/zinc/16/20/91/1255162091.db2.gz ZWQHTGCITOSUIH-MORSLUCNSA-N 2 2 365.449 0.321 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006338 1255162095 /nfs/dbraw/zinc/16/20/95/1255162095.db2.gz ZWQHTGCITOSUIH-MORSLUCNSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006338 1255162102 /nfs/dbraw/zinc/16/21/02/1255162102.db2.gz ZWQHTGCITOSUIH-MORSLUCNSA-N 2 2 365.449 0.321 20 0 FCADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@H]2O)C1 ZINC001078006338 1255162106 /nfs/dbraw/zinc/16/21/06/1255162106.db2.gz ZWQHTGCITOSUIH-MORSLUCNSA-N 2 2 365.449 0.321 20 0 FCADLP COc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078007580 1255163075 /nfs/dbraw/zinc/16/30/75/1255163075.db2.gz UQTKGDRQIWZYNP-QZTJIDSGSA-N 2 2 358.442 0.375 20 0 FCADLP COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001078007580 1255163079 /nfs/dbraw/zinc/16/30/79/1255163079.db2.gz UQTKGDRQIWZYNP-QZTJIDSGSA-N 2 2 358.442 0.375 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078006923 1255163556 /nfs/dbraw/zinc/16/35/56/1255163556.db2.gz IQEIZUVXMKIMLJ-QZTJIDSGSA-N 2 2 370.453 0.302 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1O ZINC001078006923 1255163561 /nfs/dbraw/zinc/16/35/61/1255163561.db2.gz IQEIZUVXMKIMLJ-QZTJIDSGSA-N 2 2 370.453 0.302 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1O ZINC001078007704 1255163603 /nfs/dbraw/zinc/16/36/03/1255163603.db2.gz XODZBIRLGFTKNY-KZNAEPCWSA-N 2 2 358.417 0.951 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1O ZINC001078007704 1255163609 /nfs/dbraw/zinc/16/36/09/1255163609.db2.gz XODZBIRLGFTKNY-KZNAEPCWSA-N 2 2 358.417 0.951 20 0 FCADLP COc1cccc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078007133 1255163878 /nfs/dbraw/zinc/16/38/78/1255163878.db2.gz KPFTZSRXBHTYGK-FSPWUOQZSA-N 2 2 358.442 0.894 20 0 FCADLP COc1cccc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001078007133 1255163883 /nfs/dbraw/zinc/16/38/83/1255163883.db2.gz KPFTZSRXBHTYGK-FSPWUOQZSA-N 2 2 358.442 0.894 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078009890 1255165423 /nfs/dbraw/zinc/16/54/23/1255165423.db2.gz XBEYXJHTVAZZQY-CWFSZBLJSA-N 2 2 368.481 0.929 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1O ZINC001078009890 1255165427 /nfs/dbraw/zinc/16/54/27/1255165427.db2.gz XBEYXJHTVAZZQY-CWFSZBLJSA-N 2 2 368.481 0.929 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017865 1255173162 /nfs/dbraw/zinc/17/31/62/1255173162.db2.gz ATVDWGCOFSLDBM-NVXWUHKLSA-N 2 2 358.446 0.165 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078017865 1255173166 /nfs/dbraw/zinc/17/31/66/1255173166.db2.gz ATVDWGCOFSLDBM-NVXWUHKLSA-N 2 2 358.446 0.165 20 0 FCADLP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001078073848 1255206605 /nfs/dbraw/zinc/20/66/05/1255206605.db2.gz STELLKHRVXQTBN-RRFJBIMHSA-N 2 2 361.490 0.876 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001078080945 1255212598 /nfs/dbraw/zinc/21/25/98/1255212598.db2.gz LXYBBKGPNQFPEU-CGTJXYLNSA-N 2 2 358.442 0.026 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001078080945 1255212603 /nfs/dbraw/zinc/21/26/03/1255212603.db2.gz LXYBBKGPNQFPEU-CGTJXYLNSA-N 2 2 358.442 0.026 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)ccc1C ZINC001078183513 1255298602 /nfs/dbraw/zinc/29/86/02/1255298602.db2.gz VCVDCIKKWVHHHW-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)ccc1C ZINC001078183513 1255298607 /nfs/dbraw/zinc/29/86/07/1255298607.db2.gz VCVDCIKKWVHHHW-IAGOWNOFSA-N 2 2 358.442 0.870 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228636 1255342357 /nfs/dbraw/zinc/34/23/57/1255342357.db2.gz YRYMCGZVCAHGTI-CEXWTWQISA-N 2 2 361.486 0.715 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228636 1255342364 /nfs/dbraw/zinc/34/23/64/1255342364.db2.gz YRYMCGZVCAHGTI-CEXWTWQISA-N 2 2 361.486 0.715 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228636 1255342372 /nfs/dbraw/zinc/34/23/72/1255342372.db2.gz YRYMCGZVCAHGTI-CEXWTWQISA-N 2 2 361.486 0.715 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O ZINC001078228636 1255342381 /nfs/dbraw/zinc/34/23/81/1255342381.db2.gz YRYMCGZVCAHGTI-CEXWTWQISA-N 2 2 361.486 0.715 20 0 FCADLP CO[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078271990 1255376990 /nfs/dbraw/zinc/37/69/90/1255376990.db2.gz BHUKIUDFZPXXRK-KZNAEPCWSA-N 2 2 358.442 0.302 20 0 FCADLP CO[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078271990 1255377000 /nfs/dbraw/zinc/37/70/00/1255377000.db2.gz BHUKIUDFZPXXRK-KZNAEPCWSA-N 2 2 358.442 0.302 20 0 FCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079129679 1255443919 /nfs/dbraw/zinc/44/39/19/1255443919.db2.gz AGXRYQQSFSFJOD-GUDVDZBRSA-N 2 2 361.486 0.799 20 0 FCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079129679 1255443921 /nfs/dbraw/zinc/44/39/21/1255443921.db2.gz AGXRYQQSFSFJOD-GUDVDZBRSA-N 2 2 361.486 0.799 20 0 FCADLP CC(C)[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079129679 1255443924 /nfs/dbraw/zinc/44/39/24/1255443924.db2.gz AGXRYQQSFSFJOD-GUDVDZBRSA-N 2 2 361.486 0.799 20 0 FCADLP CC(C)[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079129679 1255443927 /nfs/dbraw/zinc/44/39/27/1255443927.db2.gz AGXRYQQSFSFJOD-GUDVDZBRSA-N 2 2 361.486 0.799 20 0 FCADLP CCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001079152079 1255461984 /nfs/dbraw/zinc/46/19/84/1255461984.db2.gz VLURLSNYKAMDTB-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001079152079 1255461986 /nfs/dbraw/zinc/46/19/86/1255461986.db2.gz VLURLSNYKAMDTB-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N1CC2(CC[NH+](CCF)CC2)[C@H]2COC[C@H]21 ZINC001079267226 1255494444 /nfs/dbraw/zinc/49/44/44/1255494444.db2.gz RHQKJEKCBVPUHU-DLBZAZTESA-N 2 2 369.481 0.618 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1F ZINC001079293629 1255502039 /nfs/dbraw/zinc/50/20/39/1255502039.db2.gz JZBBGFQMYRYWRC-DZGCQCFKSA-N 2 2 359.405 0.551 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(N)=O)C1 ZINC001079319655 1255506789 /nfs/dbraw/zinc/50/67/89/1255506789.db2.gz ICLHITZFQIIFFT-XJKSGUPXSA-N 2 2 359.405 0.469 20 0 FCADLP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494671 1255528245 /nfs/dbraw/zinc/52/82/45/1255528245.db2.gz LCRCDFIDFRCCOC-KFWWJZLASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494671 1255528252 /nfs/dbraw/zinc/52/82/52/1255528252.db2.gz LCRCDFIDFRCCOC-KFWWJZLASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494671 1255528255 /nfs/dbraw/zinc/52/82/55/1255528255.db2.gz LCRCDFIDFRCCOC-KFWWJZLASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494671 1255528259 /nfs/dbraw/zinc/52/82/59/1255528259.db2.gz LCRCDFIDFRCCOC-KFWWJZLASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494672 1255528838 /nfs/dbraw/zinc/52/88/38/1255528838.db2.gz LCRCDFIDFRCCOC-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494672 1255528845 /nfs/dbraw/zinc/52/88/45/1255528845.db2.gz LCRCDFIDFRCCOC-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494672 1255528846 /nfs/dbraw/zinc/52/88/46/1255528846.db2.gz LCRCDFIDFRCCOC-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494672 1255528856 /nfs/dbraw/zinc/52/88/56/1255528856.db2.gz LCRCDFIDFRCCOC-RBSFLKMASA-N 2 2 363.510 0.501 20 0 FCADLP C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528142 1255535278 /nfs/dbraw/zinc/53/52/78/1255535278.db2.gz WCFSKBRYUQTUAK-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528142 1255535289 /nfs/dbraw/zinc/53/52/89/1255535289.db2.gz WCFSKBRYUQTUAK-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079528142 1255535294 /nfs/dbraw/zinc/53/52/94/1255535294.db2.gz WCFSKBRYUQTUAK-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079528142 1255535301 /nfs/dbraw/zinc/53/53/01/1255535301.db2.gz WCFSKBRYUQTUAK-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079527770 1255535879 /nfs/dbraw/zinc/53/58/79/1255535879.db2.gz DYQHLYLMNBRCHP-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079527770 1255535883 /nfs/dbraw/zinc/53/58/83/1255535883.db2.gz DYQHLYLMNBRCHP-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079527770 1255535887 /nfs/dbraw/zinc/53/58/87/1255535887.db2.gz DYQHLYLMNBRCHP-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2cccc(F)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079527770 1255535890 /nfs/dbraw/zinc/53/58/90/1255535890.db2.gz DYQHLYLMNBRCHP-OLMNPRSZSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001079891250 1255653286 /nfs/dbraw/zinc/65/32/86/1255653286.db2.gz VDCHNRMAIJTULS-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001079891250 1255653294 /nfs/dbraw/zinc/65/32/94/1255653294.db2.gz VDCHNRMAIJTULS-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001079891250 1255653298 /nfs/dbraw/zinc/65/32/98/1255653298.db2.gz VDCHNRMAIJTULS-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001079891250 1255653302 /nfs/dbraw/zinc/65/33/02/1255653302.db2.gz VDCHNRMAIJTULS-KCYZZUKISA-N 2 2 359.474 0.962 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]2C)c[nH+]1 ZINC001079940363 1255674861 /nfs/dbraw/zinc/67/48/61/1255674861.db2.gz IFKWWCFEUNUAFY-GDBMZVCRSA-N 2 2 361.490 0.986 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)c[nH+]1 ZINC001079940363 1255674870 /nfs/dbraw/zinc/67/48/70/1255674870.db2.gz IFKWWCFEUNUAFY-GDBMZVCRSA-N 2 2 361.490 0.986 20 0 FCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099245 1255742286 /nfs/dbraw/zinc/74/22/86/1255742286.db2.gz AGJZAHBYODSLJK-KBRIMQKVSA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001080099245 1255742293 /nfs/dbraw/zinc/74/22/93/1255742293.db2.gz AGJZAHBYODSLJK-KBRIMQKVSA-N 2 2 368.441 0.596 20 0 FCADLP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080140614 1255757861 /nfs/dbraw/zinc/75/78/61/1255757861.db2.gz XGPFYEHZGKVNCS-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080140614 1255757867 /nfs/dbraw/zinc/75/78/67/1255757867.db2.gz XGPFYEHZGKVNCS-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080140614 1255757874 /nfs/dbraw/zinc/75/78/74/1255757874.db2.gz XGPFYEHZGKVNCS-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080140614 1255757879 /nfs/dbraw/zinc/75/78/79/1255757879.db2.gz XGPFYEHZGKVNCS-FVQBIDKESA-N 2 2 359.474 0.914 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324749 1255843185 /nfs/dbraw/zinc/84/31/85/1255843185.db2.gz BCGXKRANTKGZBT-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080324749 1255843202 /nfs/dbraw/zinc/84/32/02/1255843202.db2.gz BCGXKRANTKGZBT-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080324749 1255843212 /nfs/dbraw/zinc/84/32/12/1255843212.db2.gz BCGXKRANTKGZBT-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP CCn1nncc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080324749 1255843226 /nfs/dbraw/zinc/84/32/26/1255843226.db2.gz BCGXKRANTKGZBT-DJIMGWMZSA-N 2 2 364.494 0.344 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783670 1256036180 /nfs/dbraw/zinc/03/61/80/1256036180.db2.gz ZXAFLJZZMUBOQB-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783670 1256036188 /nfs/dbraw/zinc/03/61/88/1256036188.db2.gz ZXAFLJZZMUBOQB-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782609 1256036759 /nfs/dbraw/zinc/03/67/59/1256036759.db2.gz SNVOAYGYHOQROE-XYPHTWIQSA-N 2 2 359.474 0.553 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782609 1256036766 /nfs/dbraw/zinc/03/67/66/1256036766.db2.gz SNVOAYGYHOQROE-XYPHTWIQSA-N 2 2 359.474 0.553 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979183 1256123297 /nfs/dbraw/zinc/12/32/97/1256123297.db2.gz FLRASKGLNXCKLK-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979183 1256123301 /nfs/dbraw/zinc/12/33/01/1256123301.db2.gz FLRASKGLNXCKLK-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979183 1256123305 /nfs/dbraw/zinc/12/33/05/1256123305.db2.gz FLRASKGLNXCKLK-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2C)C1 ZINC001080979183 1256123311 /nfs/dbraw/zinc/12/33/11/1256123311.db2.gz FLRASKGLNXCKLK-DJIMGWMZSA-N 2 2 362.474 0.747 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847123 1256408854 /nfs/dbraw/zinc/40/88/54/1256408854.db2.gz UQUDDIFDWUVVHX-BNEJOLLZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847123 1256408860 /nfs/dbraw/zinc/40/88/60/1256408860.db2.gz UQUDDIFDWUVVHX-BNEJOLLZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccnc2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847123 1256408865 /nfs/dbraw/zinc/40/88/65/1256408865.db2.gz UQUDDIFDWUVVHX-BNEJOLLZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cccnc2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847123 1256408874 /nfs/dbraw/zinc/40/88/74/1256408874.db2.gz UQUDDIFDWUVVHX-BNEJOLLZSA-N 2 2 362.474 0.425 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853695 1256413280 /nfs/dbraw/zinc/41/32/80/1256413280.db2.gz RIXWJOVTRWAUNO-IAGOWNOFSA-N 2 2 354.414 0.889 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001081853695 1256413285 /nfs/dbraw/zinc/41/32/85/1256413285.db2.gz RIXWJOVTRWAUNO-IAGOWNOFSA-N 2 2 354.414 0.889 20 0 FCADLP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880147 1256426963 /nfs/dbraw/zinc/42/69/63/1256426963.db2.gz MNTFCIIRQJWCMC-IAGOWNOFSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOC2CCC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001081880147 1256426969 /nfs/dbraw/zinc/42/69/69/1256426969.db2.gz MNTFCIIRQJWCMC-IAGOWNOFSA-N 2 2 366.462 0.734 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001081981142 1256482230 /nfs/dbraw/zinc/48/22/30/1256482230.db2.gz VVPRXBLRPOCSRO-IAOVAPTHSA-N 2 2 362.474 0.094 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001081981142 1256482233 /nfs/dbraw/zinc/48/22/33/1256482233.db2.gz VVPRXBLRPOCSRO-IAOVAPTHSA-N 2 2 362.474 0.094 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018649 1256499183 /nfs/dbraw/zinc/49/91/83/1256499183.db2.gz MVCRLLZHFLNSIO-IAGOWNOFSA-N 2 2 363.506 0.918 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001082018649 1256499185 /nfs/dbraw/zinc/49/91/85/1256499185.db2.gz MVCRLLZHFLNSIO-IAGOWNOFSA-N 2 2 363.506 0.918 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053021 1256512549 /nfs/dbraw/zinc/51/25/49/1256512549.db2.gz UFQKJSISFMPXNY-KZNAEPCWSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053021 1256512553 /nfs/dbraw/zinc/51/25/53/1256512553.db2.gz UFQKJSISFMPXNY-KZNAEPCWSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053021 1256512558 /nfs/dbraw/zinc/51/25/58/1256512558.db2.gz UFQKJSISFMPXNY-KZNAEPCWSA-N 2 2 363.506 0.858 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2OC)C1 ZINC001082053021 1256512564 /nfs/dbraw/zinc/51/25/64/1256512564.db2.gz UFQKJSISFMPXNY-KZNAEPCWSA-N 2 2 363.506 0.858 20 0 FCADLP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149947 1256565156 /nfs/dbraw/zinc/56/51/56/1256565156.db2.gz XFQSUMLRMFPAAW-YFHUEUNASA-N 2 2 362.474 0.766 20 0 FCADLP CO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001082149947 1256565160 /nfs/dbraw/zinc/56/51/60/1256565160.db2.gz XFQSUMLRMFPAAW-YFHUEUNASA-N 2 2 362.474 0.766 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](OC)C2)C1=O ZINC001082201118 1256587952 /nfs/dbraw/zinc/58/79/52/1256587952.db2.gz KYCDFCBHGOIVCL-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](OC)C2)C1=O ZINC001082201118 1256587956 /nfs/dbraw/zinc/58/79/56/1256587956.db2.gz KYCDFCBHGOIVCL-IXDOHACOSA-N 2 2 366.506 0.155 20 0 FCADLP CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271490 1256622252 /nfs/dbraw/zinc/62/22/52/1256622252.db2.gz COQCLRAIXFBFGQ-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271490 1256622261 /nfs/dbraw/zinc/62/22/61/1256622261.db2.gz COQCLRAIXFBFGQ-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323115 1256661557 /nfs/dbraw/zinc/66/15/57/1256661557.db2.gz DLGWCEVDXDUUAX-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](OC)C1 ZINC001082323115 1256661563 /nfs/dbraw/zinc/66/15/63/1256661563.db2.gz DLGWCEVDXDUUAX-KBRIMQKVSA-N 2 2 359.430 0.731 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327425 1256668833 /nfs/dbraw/zinc/66/88/33/1256668833.db2.gz SMFGVYNDTMIMCT-FGTMMUONSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@H](O)C2CCCCC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327425 1256668837 /nfs/dbraw/zinc/66/88/37/1256668837.db2.gz SMFGVYNDTMIMCT-FGTMMUONSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371262 1256720526 /nfs/dbraw/zinc/72/05/26/1256720526.db2.gz ZTAPUDQLLQTMJQ-IAGOWNOFSA-N 2 2 359.430 0.634 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371262 1256720528 /nfs/dbraw/zinc/72/05/28/1256720528.db2.gz ZTAPUDQLLQTMJQ-IAGOWNOFSA-N 2 2 359.430 0.634 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001082458163 1256769896 /nfs/dbraw/zinc/76/98/96/1256769896.db2.gz AJTMFXMRJVBDDZ-RBSFLKMASA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ncnn1C(C)(C)C ZINC001082458163 1256769904 /nfs/dbraw/zinc/76/99/04/1256769904.db2.gz AJTMFXMRJVBDDZ-RBSFLKMASA-N 2 2 364.494 0.300 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001082492060 1256786227 /nfs/dbraw/zinc/78/62/27/1256786227.db2.gz CYLCAZXHRPWCTQ-VNQPRFMTSA-N 2 2 359.474 0.932 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+][C@@H]4CCC(=O)NC4=O)C3)ccn12 ZINC001082511584 1256797477 /nfs/dbraw/zinc/79/74/77/1256797477.db2.gz DRAGOLPKORDMPA-KCPJHIHWSA-N 2 2 369.425 0.498 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C)n1 ZINC001082518037 1256803290 /nfs/dbraw/zinc/80/32/90/1256803290.db2.gz WDKDMLCHAMLZKU-IUODEOHRSA-N 2 2 361.450 0.386 20 0 FCADLP O=C(N1CCC(c2nnc3n2CC[NH2+]C3)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001330593069 1266066563 /nfs/dbraw/zinc/06/65/63/1266066563.db2.gz XBQJLMPDGHSKEC-HNNXBMFYSA-N 2 2 372.395 0.629 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)o1 ZINC001082558592 1256856874 /nfs/dbraw/zinc/85/68/74/1256856874.db2.gz YQICLFJPBMISHU-YUELXQCFSA-N 2 2 361.450 0.141 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC001082590418 1256903145 /nfs/dbraw/zinc/90/31/45/1256903145.db2.gz VVONSGOVIFEQIW-QHSBEEBCSA-N 2 2 363.462 0.603 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC001082590418 1256903149 /nfs/dbraw/zinc/90/31/49/1256903149.db2.gz VVONSGOVIFEQIW-QHSBEEBCSA-N 2 2 363.462 0.603 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001082590346 1256904484 /nfs/dbraw/zinc/90/44/84/1256904484.db2.gz QVPNKFJCFQALJB-MUIFIZLQSA-N 2 2 364.494 0.515 20 0 FCADLP CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001082590346 1256904493 /nfs/dbraw/zinc/90/44/93/1256904493.db2.gz QVPNKFJCFQALJB-MUIFIZLQSA-N 2 2 364.494 0.515 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)n1 ZINC001082601249 1256911789 /nfs/dbraw/zinc/91/17/89/1256911789.db2.gz RUXSKZBXPSIIHN-RPVQJOFSSA-N 2 2 371.489 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082601207 1256911880 /nfs/dbraw/zinc/91/18/80/1256911880.db2.gz PZPGUILROJRHAL-HLLBOEOZSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC001082602930 1256913914 /nfs/dbraw/zinc/91/39/14/1256913914.db2.gz BGQDGSQDZFKZHI-HLLBOEOZSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082636961 1256944114 /nfs/dbraw/zinc/94/41/14/1256944114.db2.gz CWIFNPJFRONYMD-MLGOLLRUSA-N 2 2 353.386 0.901 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082703365 1256994406 /nfs/dbraw/zinc/99/44/06/1256994406.db2.gz OYJCCXODYXHJBH-RBSFLKMASA-N 2 2 365.478 0.678 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C)o1 ZINC001082703365 1256994410 /nfs/dbraw/zinc/99/44/10/1256994410.db2.gz OYJCCXODYXHJBH-RBSFLKMASA-N 2 2 365.478 0.678 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082705535 1256996074 /nfs/dbraw/zinc/99/60/74/1256996074.db2.gz JVHZGGKWVCPCMC-CBBWQLFWSA-N 2 2 364.494 0.802 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082705535 1256996077 /nfs/dbraw/zinc/99/60/77/1256996077.db2.gz JVHZGGKWVCPCMC-CBBWQLFWSA-N 2 2 364.494 0.802 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082733762 1257014577 /nfs/dbraw/zinc/01/45/77/1257014577.db2.gz RVDVMFHDBOAFCV-UMVBOHGHSA-N 2 2 360.462 0.291 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC001330723323 1266082175 /nfs/dbraw/zinc/08/21/75/1266082175.db2.gz SJRIEKOUEOPJLQ-INIZCTEOSA-N 2 2 369.506 0.349 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082856538 1257106605 /nfs/dbraw/zinc/10/66/05/1257106605.db2.gz RRCOJTBPQLLGKA-FRFSOERESA-N 2 2 368.441 0.596 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)N1CCCCC1 ZINC001082860908 1257112275 /nfs/dbraw/zinc/11/22/75/1257112275.db2.gz WPKDMWPPUKJOBL-BFYDXBDKSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC001082861178 1257112820 /nfs/dbraw/zinc/11/28/20/1257112820.db2.gz MOCDWUBSADLBQY-IUODEOHRSA-N 2 2 357.462 0.605 20 0 FCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082860926 1257112874 /nfs/dbraw/zinc/11/28/74/1257112874.db2.gz XLYVQUGOTWECBR-CHWSQXEVSA-N 2 2 361.446 0.273 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001082892593 1257128633 /nfs/dbraw/zinc/12/86/33/1257128633.db2.gz IZFZZGVFTVDVIY-CXAGYDPISA-N 2 2 359.478 0.909 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)o1 ZINC001082923525 1257147917 /nfs/dbraw/zinc/14/79/17/1257147917.db2.gz NIQPFYKAFBLPDK-QLFBSQMISA-N 2 2 365.478 0.537 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)C1 ZINC001082933885 1257155144 /nfs/dbraw/zinc/15/51/44/1257155144.db2.gz NMSQQMFOSIXERV-OIISXLGYSA-N 2 2 364.494 0.516 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C(C)C)nn3)C2)C1 ZINC001082933885 1257155150 /nfs/dbraw/zinc/15/51/50/1257155150.db2.gz NMSQQMFOSIXERV-OIISXLGYSA-N 2 2 364.494 0.516 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)n1 ZINC001082934305 1257155180 /nfs/dbraw/zinc/15/51/80/1257155180.db2.gz HXTHIKWQRPRTQZ-KBRIMQKVSA-N 2 2 364.494 0.264 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)n1 ZINC001082934305 1257155187 /nfs/dbraw/zinc/15/51/87/1257155187.db2.gz HXTHIKWQRPRTQZ-KBRIMQKVSA-N 2 2 364.494 0.264 20 0 FCADLP Cc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@H]3C2)cc1 ZINC001083034521 1257227660 /nfs/dbraw/zinc/22/76/60/1257227660.db2.gz FNLJDCQCSDYKLS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccc(C[NH+]2C[C@H]3OCCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@H]3C2)cc1 ZINC001083034521 1257227665 /nfs/dbraw/zinc/22/76/65/1257227665.db2.gz FNLJDCQCSDYKLS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@H]3C2)cc1 ZINC001083034521 1257227670 /nfs/dbraw/zinc/22/76/70/1257227670.db2.gz FNLJDCQCSDYKLS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[NH+](C)CCO4)[C@H]3C2)cc1 ZINC001083034521 1257227675 /nfs/dbraw/zinc/22/76/75/1257227675.db2.gz FNLJDCQCSDYKLS-IPMKNSEASA-N 2 2 359.470 0.737 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001083065688 1257259781 /nfs/dbraw/zinc/25/97/81/1257259781.db2.gz OGIRQAUDGRIPEW-QLFBSQMISA-N 2 2 371.445 0.033 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001083065688 1257259788 /nfs/dbraw/zinc/25/97/88/1257259788.db2.gz OGIRQAUDGRIPEW-QLFBSQMISA-N 2 2 371.445 0.033 20 0 FCADLP Cn1c[nH+]cc1CN1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083808 1257283927 /nfs/dbraw/zinc/28/39/27/1257283927.db2.gz NDHUECSFTBIBDZ-FGTMMUONSA-N 2 2 359.474 0.174 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083607 1257284098 /nfs/dbraw/zinc/28/40/98/1257284098.db2.gz BTSYCQUFORBEFJ-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083607 1257284104 /nfs/dbraw/zinc/28/41/04/1257284104.db2.gz BTSYCQUFORBEFJ-OKZBNKHCSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083642 1257284356 /nfs/dbraw/zinc/28/43/56/1257284356.db2.gz DHZQHXHSLSZWKS-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083642 1257284359 /nfs/dbraw/zinc/28/43/59/1257284359.db2.gz DHZQHXHSLSZWKS-FGTMMUONSA-N 2 2 360.458 0.736 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)ncn1 ZINC001083106443 1257321897 /nfs/dbraw/zinc/32/18/97/1257321897.db2.gz CLKYESRPGODYPT-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)ncn1 ZINC001083106443 1257321906 /nfs/dbraw/zinc/32/19/06/1257321906.db2.gz CLKYESRPGODYPT-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)ncn1 ZINC001083106443 1257321911 /nfs/dbraw/zinc/32/19/11/1257321911.db2.gz CLKYESRPGODYPT-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)ncn1 ZINC001083106443 1257321918 /nfs/dbraw/zinc/32/19/18/1257321918.db2.gz CLKYESRPGODYPT-ZWKOTPCHSA-N 2 2 359.474 0.681 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083110906 1257334725 /nfs/dbraw/zinc/33/47/25/1257334725.db2.gz AUAONSSXPSQCLD-XYVMCAHJSA-N 2 2 360.458 0.851 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083110906 1257334730 /nfs/dbraw/zinc/33/47/30/1257334730.db2.gz AUAONSSXPSQCLD-XYVMCAHJSA-N 2 2 360.458 0.851 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]21 ZINC001083110906 1257334738 /nfs/dbraw/zinc/33/47/38/1257334738.db2.gz AUAONSSXPSQCLD-XYVMCAHJSA-N 2 2 360.458 0.851 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]21 ZINC001083110906 1257334747 /nfs/dbraw/zinc/33/47/47/1257334747.db2.gz AUAONSSXPSQCLD-XYVMCAHJSA-N 2 2 360.458 0.851 20 0 FCADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140253 1257389801 /nfs/dbraw/zinc/38/98/01/1257389801.db2.gz VCBSYZMRQCAIAY-DLBZAZTESA-N 2 2 357.414 0.439 20 0 FCADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140253 1257389807 /nfs/dbraw/zinc/38/98/07/1257389807.db2.gz VCBSYZMRQCAIAY-DLBZAZTESA-N 2 2 357.414 0.439 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCCC[NH+]4C)[C@H]3C2)cn1 ZINC001083168721 1257428443 /nfs/dbraw/zinc/42/84/43/1257428443.db2.gz JFZXZUBXFNOBIO-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CCCC[NH+]4C)[C@H]3C2)cn1 ZINC001083168721 1257428448 /nfs/dbraw/zinc/42/84/48/1257428448.db2.gz JFZXZUBXFNOBIO-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCCC[N@@H+]4C)[C@H]3C2)cn1 ZINC001083168721 1257428452 /nfs/dbraw/zinc/42/84/52/1257428452.db2.gz JFZXZUBXFNOBIO-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CCCC[N@H+]4C)[C@H]3C2)cn1 ZINC001083168721 1257428457 /nfs/dbraw/zinc/42/84/57/1257428457.db2.gz JFZXZUBXFNOBIO-OKZBNKHCSA-N 2 2 361.490 0.359 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](CCOC3CCC3)C[C@@H]1O)CC2 ZINC001083731946 1257469235 /nfs/dbraw/zinc/46/92/35/1257469235.db2.gz VQXWGGQBFTYZNU-QGTPRVQTSA-N 2 2 362.474 0.484 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOC3CCC3)C[C@@H]1O)CC2 ZINC001083731946 1257469239 /nfs/dbraw/zinc/46/92/39/1257469239.db2.gz VQXWGGQBFTYZNU-QGTPRVQTSA-N 2 2 362.474 0.484 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001083769507 1257507035 /nfs/dbraw/zinc/50/70/35/1257507035.db2.gz XMXBHLVKXIMHAR-OIISXLGYSA-N 2 2 362.474 0.808 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001083769507 1257507038 /nfs/dbraw/zinc/50/70/38/1257507038.db2.gz XMXBHLVKXIMHAR-OIISXLGYSA-N 2 2 362.474 0.808 20 0 FCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779708 1257522068 /nfs/dbraw/zinc/52/20/68/1257522068.db2.gz PUBNVRCNCXQMEA-UAGQMJEPSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779708 1257522072 /nfs/dbraw/zinc/52/20/72/1257522072.db2.gz PUBNVRCNCXQMEA-UAGQMJEPSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779708 1257522074 /nfs/dbraw/zinc/52/20/74/1257522074.db2.gz PUBNVRCNCXQMEA-UAGQMJEPSA-N 2 2 365.449 0.850 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@@H]1O ZINC001083779708 1257522080 /nfs/dbraw/zinc/52/20/80/1257522080.db2.gz PUBNVRCNCXQMEA-UAGQMJEPSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@@H]2O)CC1 ZINC001083833027 1257587672 /nfs/dbraw/zinc/58/76/72/1257587672.db2.gz GAMZGTFDZFQCRF-MSOLQXFVSA-N 2 2 362.474 0.945 20 0 FCADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@@H]2O)CC1 ZINC001083833027 1257587675 /nfs/dbraw/zinc/58/76/75/1257587675.db2.gz GAMZGTFDZFQCRF-MSOLQXFVSA-N 2 2 362.474 0.945 20 0 FCADLP 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C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911210 1258434558 /nfs/dbraw/zinc/43/45/58/1258434558.db2.gz RKDXJLCFODSUBF-BPQIPLTHSA-N 2 2 362.449 0.974 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911210 1258434563 /nfs/dbraw/zinc/43/45/63/1258434563.db2.gz RKDXJLCFODSUBF-BPQIPLTHSA-N 2 2 362.449 0.974 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911210 1258434567 /nfs/dbraw/zinc/43/45/67/1258434567.db2.gz RKDXJLCFODSUBF-BPQIPLTHSA-N 2 2 362.449 0.974 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911210 1258434571 /nfs/dbraw/zinc/43/45/71/1258434571.db2.gz RKDXJLCFODSUBF-BPQIPLTHSA-N 2 2 362.449 0.974 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911211 1258434590 /nfs/dbraw/zinc/43/45/90/1258434590.db2.gz RKDXJLCFODSUBF-NJAFHUGGSA-N 2 2 362.449 0.974 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911211 1258434594 /nfs/dbraw/zinc/43/45/94/1258434594.db2.gz RKDXJLCFODSUBF-NJAFHUGGSA-N 2 2 362.449 0.974 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911211 1258434601 /nfs/dbraw/zinc/43/46/01/1258434601.db2.gz RKDXJLCFODSUBF-NJAFHUGGSA-N 2 2 362.449 0.974 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cncc(F)c4)[C@H]3C2)C1 ZINC001084911211 1258434606 /nfs/dbraw/zinc/43/46/06/1258434606.db2.gz RKDXJLCFODSUBF-NJAFHUGGSA-N 2 2 362.449 0.974 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21)N1CCCC1 ZINC001084930718 1258445405 /nfs/dbraw/zinc/44/54/05/1258445405.db2.gz XBRVVRJQWSWIEP-CVEARBPZSA-N 2 2 359.474 0.888 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21)N1CCCC1 ZINC001084930718 1258445407 /nfs/dbraw/zinc/44/54/07/1258445407.db2.gz XBRVVRJQWSWIEP-CVEARBPZSA-N 2 2 359.474 0.888 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001331293340 1266185360 /nfs/dbraw/zinc/18/53/60/1266185360.db2.gz ZGEVUHMKTZHLSU-GPMSIDNRSA-N 2 2 368.522 0.774 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001331293340 1266185362 /nfs/dbraw/zinc/18/53/62/1266185362.db2.gz ZGEVUHMKTZHLSU-GPMSIDNRSA-N 2 2 368.522 0.774 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084963307 1258475839 /nfs/dbraw/zinc/47/58/39/1258475839.db2.gz LPJYQQLPZLSUGC-ANQUJSFKSA-N 2 2 355.446 0.728 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084963307 1258475845 /nfs/dbraw/zinc/47/58/45/1258475845.db2.gz LPJYQQLPZLSUGC-ANQUJSFKSA-N 2 2 355.446 0.728 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084963307 1258475851 /nfs/dbraw/zinc/47/58/51/1258475851.db2.gz LPJYQQLPZLSUGC-ANQUJSFKSA-N 2 2 355.446 0.728 20 0 FCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084963307 1258475856 /nfs/dbraw/zinc/47/58/56/1258475856.db2.gz LPJYQQLPZLSUGC-ANQUJSFKSA-N 2 2 355.446 0.728 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975900 1258487469 /nfs/dbraw/zinc/48/74/69/1258487469.db2.gz YGPOSOPSFJEVHQ-VYDXJSESSA-N 2 2 359.474 0.457 20 0 FCADLP CN(C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975900 1258487474 /nfs/dbraw/zinc/48/74/74/1258487474.db2.gz YGPOSOPSFJEVHQ-VYDXJSESSA-N 2 2 359.474 0.457 20 0 FCADLP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001084986888 1258498868 /nfs/dbraw/zinc/49/88/68/1258498868.db2.gz BMXJRJLFHFAAHY-PBHICJAKSA-N 2 2 368.441 0.550 20 0 FCADLP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001084986888 1258498872 /nfs/dbraw/zinc/49/88/72/1258498872.db2.gz BMXJRJLFHFAAHY-PBHICJAKSA-N 2 2 368.441 0.550 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085001597 1258508497 /nfs/dbraw/zinc/50/84/97/1258508497.db2.gz PSMLWTUHZPVSTG-CVEARBPZSA-N 2 2 360.462 0.221 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001085001597 1258508501 /nfs/dbraw/zinc/50/85/01/1258508501.db2.gz PSMLWTUHZPVSTG-CVEARBPZSA-N 2 2 360.462 0.221 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085044048 1258542200 /nfs/dbraw/zinc/54/22/00/1258542200.db2.gz WVAGFBKBSSZWLV-PBHICJAKSA-N 2 2 357.462 0.995 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085044048 1258542203 /nfs/dbraw/zinc/54/22/03/1258542203.db2.gz WVAGFBKBSSZWLV-PBHICJAKSA-N 2 2 357.462 0.995 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC001085159341 1258611808 /nfs/dbraw/zinc/61/18/08/1258611808.db2.gz PWUASSWEVXACAY-KFWWJZLASA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001085159341 1258611810 /nfs/dbraw/zinc/61/18/10/1258611810.db2.gz PWUASSWEVXACAY-KFWWJZLASA-N 2 2 364.494 0.776 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001085158932 1258612421 /nfs/dbraw/zinc/61/24/21/1258612421.db2.gz BPMAGQFZBNQVHE-BFYDXBDKSA-N 2 2 364.494 0.454 20 0 FCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001085158932 1258612431 /nfs/dbraw/zinc/61/24/31/1258612431.db2.gz BPMAGQFZBNQVHE-BFYDXBDKSA-N 2 2 364.494 0.454 20 0 FCADLP COc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001085159489 1258613272 /nfs/dbraw/zinc/61/32/72/1258613272.db2.gz WQCOUKRFBHEULY-KZNAEPCWSA-N 2 2 362.474 0.938 20 0 FCADLP COc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001085159489 1258613279 /nfs/dbraw/zinc/61/32/79/1258613279.db2.gz WQCOUKRFBHEULY-KZNAEPCWSA-N 2 2 362.474 0.938 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001085159525 1258613676 /nfs/dbraw/zinc/61/36/76/1258613676.db2.gz YCOQSPWNEXKAIF-BZUAXINKSA-N 2 2 363.462 0.333 20 0 FCADLP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001085159525 1258613683 /nfs/dbraw/zinc/61/36/83/1258613683.db2.gz YCOQSPWNEXKAIF-BZUAXINKSA-N 2 2 363.462 0.333 20 0 FCADLP COCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424154 1258638708 /nfs/dbraw/zinc/63/87/08/1258638708.db2.gz LPWYTLZDILOIKG-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP COCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424154 1258638715 /nfs/dbraw/zinc/63/87/15/1258638715.db2.gz LPWYTLZDILOIKG-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP COCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001087424154 1258638721 /nfs/dbraw/zinc/63/87/21/1258638721.db2.gz LPWYTLZDILOIKG-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP COCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001087424154 1258638727 /nfs/dbraw/zinc/63/87/27/1258638727.db2.gz LPWYTLZDILOIKG-GUDVDZBRSA-N 2 2 361.486 0.938 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088170894 1258688965 /nfs/dbraw/zinc/68/89/65/1258688965.db2.gz NAAZMLXNXOORRA-OWCLPIDISA-N 2 2 369.473 0.522 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]2C1 ZINC001088170894 1258688973 /nfs/dbraw/zinc/68/89/73/1258688973.db2.gz NAAZMLXNXOORRA-OWCLPIDISA-N 2 2 369.473 0.522 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088172846 1258694298 /nfs/dbraw/zinc/69/42/98/1258694298.db2.gz HGZLQMDXRVQCLG-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088172846 1258694301 /nfs/dbraw/zinc/69/43/01/1258694301.db2.gz HGZLQMDXRVQCLG-CABCVRRESA-N 2 2 369.473 0.870 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088183787 1258704667 /nfs/dbraw/zinc/70/46/67/1258704667.db2.gz WFWPMNHLGZVERC-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)CC[C@@H]2C1 ZINC001088183787 1258704670 /nfs/dbraw/zinc/70/46/70/1258704670.db2.gz WFWPMNHLGZVERC-VYDXJSESSA-N 2 2 359.474 0.662 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199510 1258720012 /nfs/dbraw/zinc/72/00/12/1258720012.db2.gz QWULWJKDKZJBME-KFWWJZLASA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@@H]3C2)n1 ZINC001088199510 1258720018 /nfs/dbraw/zinc/72/00/18/1258720018.db2.gz QWULWJKDKZJBME-KFWWJZLASA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199510 1258720022 /nfs/dbraw/zinc/72/00/22/1258720022.db2.gz QWULWJKDKZJBME-KFWWJZLASA-N 2 2 363.462 0.448 20 0 FCADLP COCc1noc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)n1 ZINC001088199510 1258720028 /nfs/dbraw/zinc/72/00/28/1258720028.db2.gz QWULWJKDKZJBME-KFWWJZLASA-N 2 2 363.462 0.448 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200350 1258722639 /nfs/dbraw/zinc/72/26/39/1258722639.db2.gz ZQBBZJGXWOSMAE-OAGGEKHMSA-N 2 2 364.469 0.480 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200350 1258722647 /nfs/dbraw/zinc/72/26/47/1258722647.db2.gz ZQBBZJGXWOSMAE-OAGGEKHMSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200350 1258722651 /nfs/dbraw/zinc/72/26/51/1258722651.db2.gz ZQBBZJGXWOSMAE-OAGGEKHMSA-N 2 2 364.469 0.480 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4CCF)CC[C@@H]3C2)C1 ZINC001088200350 1258722656 /nfs/dbraw/zinc/72/26/56/1258722656.db2.gz ZQBBZJGXWOSMAE-OAGGEKHMSA-N 2 2 364.469 0.480 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219528 1258740293 /nfs/dbraw/zinc/74/02/93/1258740293.db2.gz HNUJGFJSRZINMT-IXDOHACOSA-N 2 2 359.474 0.673 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)C1=O ZINC001088219528 1258740295 /nfs/dbraw/zinc/74/02/95/1258740295.db2.gz HNUJGFJSRZINMT-IXDOHACOSA-N 2 2 359.474 0.673 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001088219508 1258740516 /nfs/dbraw/zinc/74/05/16/1258740516.db2.gz GTHZZZBVXZHETJ-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)CC[C@@H]2C1 ZINC001088219508 1258740522 /nfs/dbraw/zinc/74/05/22/1258740522.db2.gz GTHZZZBVXZHETJ-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219452 1258740843 /nfs/dbraw/zinc/74/08/43/1258740843.db2.gz DFONDMNYQVFZJA-SJORKVTESA-N 2 2 357.462 0.572 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001088219452 1258740851 /nfs/dbraw/zinc/74/08/51/1258740851.db2.gz DFONDMNYQVFZJA-SJORKVTESA-N 2 2 357.462 0.572 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091153157 1258793457 /nfs/dbraw/zinc/79/34/57/1258793457.db2.gz UFTGMGCEGFUICA-CABCVRRESA-N 2 2 359.474 0.812 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828612 1258858802 /nfs/dbraw/zinc/85/88/02/1258858802.db2.gz OATBLQKZURZLNX-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001092828612 1258858804 /nfs/dbraw/zinc/85/88/04/1258858804.db2.gz OATBLQKZURZLNX-UKRRQHHQSA-N 2 2 353.430 0.961 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001092886061 1258888803 /nfs/dbraw/zinc/88/88/03/1258888803.db2.gz FAYADBSBPMWGQJ-SYAUCNOPSA-N 2 2 369.473 0.929 20 0 FCADLP COCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001100525383 1258912691 /nfs/dbraw/zinc/91/26/91/1258912691.db2.gz ZOXUYUZWYVFEBC-HIEASXQVSA-N 2 2 369.506 0.387 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCc1ccco1 ZINC001106704859 1258943300 /nfs/dbraw/zinc/94/33/00/1258943300.db2.gz GCEZUEUINGSADN-ZIAGYGMSSA-N 2 2 359.430 0.546 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001106799753 1258965859 /nfs/dbraw/zinc/96/58/59/1258965859.db2.gz OXDCBDZWNQQFNV-MGPQQGTHSA-N 2 2 371.445 0.454 20 0 FCADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(=O)NC(C)(C)C ZINC001106876849 1258985633 /nfs/dbraw/zinc/98/56/33/1258985633.db2.gz ADMBODCVVBZUBX-RBSFLKMASA-N 2 2 363.506 0.950 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001106937425 1259000591 /nfs/dbraw/zinc/00/05/91/1259000591.db2.gz ZCBNGQOXAHAXKI-GDBMZVCRSA-N 2 2 361.490 0.563 20 0 FCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001107071775 1259027297 /nfs/dbraw/zinc/02/72/97/1259027297.db2.gz RTXVZVFHVGZQBO-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001107078136 1259028959 /nfs/dbraw/zinc/02/89/59/1259028959.db2.gz BILDCFOBRKMSOB-GVDBMIGSSA-N 2 2 361.490 0.826 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N1CCC1)CC2 ZINC001107432647 1259084635 /nfs/dbraw/zinc/08/46/35/1259084635.db2.gz SPSQVOSINAGQPH-VQIMIIECSA-N 2 2 359.474 0.935 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N1CCC1)CC2 ZINC001107432647 1259084638 /nfs/dbraw/zinc/08/46/38/1259084638.db2.gz SPSQVOSINAGQPH-VQIMIIECSA-N 2 2 359.474 0.935 20 0 FCADLP Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436787 1259088042 /nfs/dbraw/zinc/08/80/42/1259088042.db2.gz PVIBATVXCBJODA-RHSMWYFYSA-N 2 2 361.494 0.555 20 0 FCADLP Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436787 1259088045 /nfs/dbraw/zinc/08/80/45/1259088045.db2.gz PVIBATVXCBJODA-RHSMWYFYSA-N 2 2 361.494 0.555 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[NH+](CCn3cncn3)CCO2)CC[N@@H+]1C ZINC001107953007 1259147135 /nfs/dbraw/zinc/14/71/35/1259147135.db2.gz OFOOVCAXQOARGC-LZLYRXPVSA-N 2 2 364.494 0.216 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[NH+](CCn3cncn3)CCO2)CC[N@H+]1C ZINC001107953007 1259147138 /nfs/dbraw/zinc/14/71/38/1259147138.db2.gz OFOOVCAXQOARGC-LZLYRXPVSA-N 2 2 364.494 0.216 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[N@H+](CCn3cncn3)CCO2)CC[NH+]1C ZINC001107953007 1259147143 /nfs/dbraw/zinc/14/71/43/1259147143.db2.gz OFOOVCAXQOARGC-LZLYRXPVSA-N 2 2 364.494 0.216 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CCn3cncn3)CCO2)CC[NH+]1C ZINC001107953007 1259147149 /nfs/dbraw/zinc/14/71/49/1259147149.db2.gz OFOOVCAXQOARGC-LZLYRXPVSA-N 2 2 364.494 0.216 20 0 FCADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090314 1259154339 /nfs/dbraw/zinc/15/43/39/1259154339.db2.gz RHTUXMCVCLTPEQ-AOIWGVFYSA-N 2 2 369.506 0.483 20 0 FCADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001108090314 1259154346 /nfs/dbraw/zinc/15/43/46/1259154346.db2.gz RHTUXMCVCLTPEQ-AOIWGVFYSA-N 2 2 369.506 0.483 20 0 FCADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851425 1259248615 /nfs/dbraw/zinc/24/86/15/1259248615.db2.gz MMFITMQUVYIPRC-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851425 1259248623 /nfs/dbraw/zinc/24/86/23/1259248623.db2.gz MMFITMQUVYIPRC-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851425 1259248625 /nfs/dbraw/zinc/24/86/25/1259248625.db2.gz MMFITMQUVYIPRC-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851425 1259248630 /nfs/dbraw/zinc/24/86/30/1259248630.db2.gz MMFITMQUVYIPRC-IKGGRYGDSA-N 2 2 364.494 0.531 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129060947 1259302747 /nfs/dbraw/zinc/30/27/47/1259302747.db2.gz ZTDPNTMVIKQNRC-SQNIBIBYSA-N 2 2 371.489 0.801 20 0 FCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129060947 1259302753 /nfs/dbraw/zinc/30/27/53/1259302753.db2.gz ZTDPNTMVIKQNRC-SQNIBIBYSA-N 2 2 371.489 0.801 20 0 FCADLP COCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122063 1259319966 /nfs/dbraw/zinc/31/99/66/1259319966.db2.gz AKBKNCDEDPQGPE-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP COCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122063 1259319970 /nfs/dbraw/zinc/31/99/70/1259319970.db2.gz AKBKNCDEDPQGPE-CABCVRRESA-N 2 2 361.450 0.022 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129205167 1259344973 /nfs/dbraw/zinc/34/49/73/1259344973.db2.gz PUBHHIRHVIQNSE-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129205167 1259344982 /nfs/dbraw/zinc/34/49/82/1259344982.db2.gz PUBHHIRHVIQNSE-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205597 1259346678 /nfs/dbraw/zinc/34/66/78/1259346678.db2.gz XJYBCEPJAVEZSK-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205597 1259346680 /nfs/dbraw/zinc/34/66/80/1259346680.db2.gz XJYBCEPJAVEZSK-CVEARBPZSA-N 2 2 361.450 0.458 20 0 FCADLP O=C(C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1)NC1CC1 ZINC001211680214 1259427378 /nfs/dbraw/zinc/42/73/78/1259427378.db2.gz LRKFCIZOCCHFJG-ZWKOTPCHSA-N 2 2 367.453 0.815 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680410 1259427880 /nfs/dbraw/zinc/42/78/80/1259427880.db2.gz VPBPMCFYEDZYEM-XOKHGSTOSA-N 2 2 355.442 0.671 20 0 FCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279798 1259452551 /nfs/dbraw/zinc/45/25/51/1259452551.db2.gz VORHIGBHQHBKBR-ARFHVFGLSA-N 2 2 362.430 0.079 20 0 FCADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279798 1259452555 /nfs/dbraw/zinc/45/25/55/1259452555.db2.gz VORHIGBHQHBKBR-ARFHVFGLSA-N 2 2 362.430 0.079 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212353509 1259471043 /nfs/dbraw/zinc/47/10/43/1259471043.db2.gz TWMISQUVBVEMDK-GVDBMIGSSA-N 2 2 369.485 0.724 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1OC ZINC001212353509 1259471046 /nfs/dbraw/zinc/47/10/46/1259471046.db2.gz TWMISQUVBVEMDK-GVDBMIGSSA-N 2 2 369.485 0.724 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407701 1259493911 /nfs/dbraw/zinc/49/39/11/1259493911.db2.gz CZDFDBOSZKTDMX-OWCLPIDISA-N 2 2 366.506 0.295 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212407701 1259493916 /nfs/dbraw/zinc/49/39/16/1259493916.db2.gz CZDFDBOSZKTDMX-OWCLPIDISA-N 2 2 366.506 0.295 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001212436680 1259506179 /nfs/dbraw/zinc/50/61/79/1259506179.db2.gz DRYFIAFVFUFNAC-NUJGCVRESA-N 2 2 368.522 0.399 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1)C1CC1 ZINC001212436680 1259506183 /nfs/dbraw/zinc/50/61/83/1259506183.db2.gz DRYFIAFVFUFNAC-NUJGCVRESA-N 2 2 368.522 0.399 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001212483286 1259520038 /nfs/dbraw/zinc/52/00/38/1259520038.db2.gz FKIWKHLVSAFLRG-KBAYOESNSA-N 2 2 364.490 0.934 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(C)C)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001212483286 1259520041 /nfs/dbraw/zinc/52/00/41/1259520041.db2.gz FKIWKHLVSAFLRG-KBAYOESNSA-N 2 2 364.490 0.934 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC001235482634 1259574754 /nfs/dbraw/zinc/57/47/54/1259574754.db2.gz FNWUMXWZJACOFY-MSOLQXFVSA-N 2 2 361.486 0.943 20 0 FCADLP Cn1cc([C@H]2CC(=O)N(C)C23CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC3)cn1 ZINC001235549869 1259577591 /nfs/dbraw/zinc/57/75/91/1259577591.db2.gz MAOBGYBVLGBBID-JKSUJKDBSA-N 2 2 361.490 0.925 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001335333810 1259609894 /nfs/dbraw/zinc/60/98/94/1259609894.db2.gz XYYJVFQKMDHAJO-LSDHHAIUSA-N 2 2 368.503 0.413 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)C3(n4cccn4)CC[NH2+]CC3)CC2)CC1 ZINC001331727833 1266273937 /nfs/dbraw/zinc/27/39/37/1266273937.db2.gz JOFSTYVZALYXKV-UHFFFAOYSA-N 2 2 360.506 0.200 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001246070615 1259647777 /nfs/dbraw/zinc/64/77/77/1259647777.db2.gz OBAAPAKEEMJIQB-YTQUADARSA-N 3 2 368.472 0.693 20 0 FCADLP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001246070615 1259647786 /nfs/dbraw/zinc/64/77/86/1259647786.db2.gz OBAAPAKEEMJIQB-YTQUADARSA-N 3 2 368.472 0.693 20 0 FCADLP O=C1NCC[C@]12C[N@@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631934 1259657907 /nfs/dbraw/zinc/65/79/07/1259657907.db2.gz YBADMZLZZGRRCO-OPYAIIAOSA-N 3 2 354.498 0.761 20 0 FCADLP O=C1NCC[C@]12C[N@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC21C[NH2+]C1 ZINC001246631934 1259657917 /nfs/dbraw/zinc/65/79/17/1259657917.db2.gz YBADMZLZZGRRCO-OPYAIIAOSA-N 3 2 354.498 0.761 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246674136 1259659295 /nfs/dbraw/zinc/65/92/95/1259659295.db2.gz NSSYUAWWZBAWFY-HOTGVXAUSA-N 2 2 366.506 0.202 20 0 FCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CCC(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246674136 1259659299 /nfs/dbraw/zinc/65/92/99/1259659299.db2.gz NSSYUAWWZBAWFY-HOTGVXAUSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[C@@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)CC[NH2+]1 ZINC001246703211 1259663891 /nfs/dbraw/zinc/66/38/91/1259663891.db2.gz RAVWUXOAIUMLLY-CABCVRRESA-N 2 2 360.506 0.306 20 0 FCADLP Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707646 1259665169 /nfs/dbraw/zinc/66/51/69/1259665169.db2.gz ZUOGIJFPJFEKRY-IRXDYDNUSA-N 2 2 370.505 0.317 20 0 FCADLP Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)n1 ZINC001246707646 1259665181 /nfs/dbraw/zinc/66/51/81/1259665181.db2.gz ZUOGIJFPJFEKRY-IRXDYDNUSA-N 2 2 370.505 0.317 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452943 1259668643 /nfs/dbraw/zinc/66/86/43/1259668643.db2.gz RDNPMEAZZFBAQO-KURKYZTESA-N 3 2 354.539 0.608 20 0 FCADLP CC(C)C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001335452943 1259668653 /nfs/dbraw/zinc/66/86/53/1259668653.db2.gz RDNPMEAZZFBAQO-KURKYZTESA-N 3 2 354.539 0.608 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)C[NH2+]1 ZINC001246725264 1259671347 /nfs/dbraw/zinc/67/13/47/1259671347.db2.gz YCHIVONRYJRLNI-HOCLYGCPSA-N 2 2 370.457 0.334 20 0 FCADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C1CC[NH2+]CC1)C2 ZINC001246732892 1259673201 /nfs/dbraw/zinc/67/32/01/1259673201.db2.gz SFRVXPDRJKZXDX-MRXNPFEDSA-N 2 2 363.506 0.420 20 0 FCADLP C[C@H]1C[C@@H](N2CCc3[nH+]cc(CNC(=O)c4cnn(C)c4)n3CC2)CC[NH2+]1 ZINC001246782040 1259688538 /nfs/dbraw/zinc/68/85/38/1259688538.db2.gz SVNVTUQNBJPVKE-HOCLYGCPSA-N 2 2 371.489 0.545 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)C[NH2+]1 ZINC001246777913 1259689770 /nfs/dbraw/zinc/68/97/70/1259689770.db2.gz XFVCYCCMGVOLEN-KBPBESRZSA-N 2 2 371.445 0.077 20 0 FCADLP COc1cc(OC)c(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)cn1 ZINC001247333648 1259701062 /nfs/dbraw/zinc/70/10/62/1259701062.db2.gz KVFXPRHTDNQBDL-NSHDSACASA-N 2 2 373.373 0.058 20 0 FCADLP CC(=O)c1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c(F)c1 ZINC001247335482 1259701933 /nfs/dbraw/zinc/70/19/33/1259701933.db2.gz YSBMODAIXPPPLV-AWEZNQCLSA-N 2 2 372.360 0.988 20 0 FCADLP COc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252890591 1259810466 /nfs/dbraw/zinc/81/04/66/1259810466.db2.gz SFWFAQSJDATYIZ-HZPDHXFCSA-N 2 2 365.474 0.577 20 0 FCADLP COc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252890591 1259810473 /nfs/dbraw/zinc/81/04/73/1259810473.db2.gz SFWFAQSJDATYIZ-HZPDHXFCSA-N 2 2 365.474 0.577 20 0 FCADLP COc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252890590 1259810494 /nfs/dbraw/zinc/81/04/94/1259810494.db2.gz SFWFAQSJDATYIZ-CVEARBPZSA-N 2 2 365.474 0.577 20 0 FCADLP COc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001252890590 1259810500 /nfs/dbraw/zinc/81/05/00/1259810500.db2.gz SFWFAQSJDATYIZ-CVEARBPZSA-N 2 2 365.474 0.577 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001253184719 1259827393 /nfs/dbraw/zinc/82/73/93/1259827393.db2.gz JHJHEUBRGYFZCS-VSZNYVQBSA-N 2 2 369.506 0.580 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001253184719 1259827404 /nfs/dbraw/zinc/82/74/04/1259827404.db2.gz JHJHEUBRGYFZCS-VSZNYVQBSA-N 2 2 369.506 0.580 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001253389216 1259838022 /nfs/dbraw/zinc/83/80/22/1259838022.db2.gz WRCAVVJHNWPLLZ-VQHPVUNQSA-N 2 2 369.506 0.911 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001253389216 1259838033 /nfs/dbraw/zinc/83/80/33/1259838033.db2.gz WRCAVVJHNWPLLZ-VQHPVUNQSA-N 2 2 369.506 0.911 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383640 1259879656 /nfs/dbraw/zinc/87/96/56/1259879656.db2.gz VMXOBMMROYWLTD-CABCVRRESA-N 2 2 363.506 0.465 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)CC1 ZINC001254383640 1259879664 /nfs/dbraw/zinc/87/96/64/1259879664.db2.gz VMXOBMMROYWLTD-CABCVRRESA-N 2 2 363.506 0.465 20 0 FCADLP CC[NH+](CC)CC[C@H](C)[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001255954974 1259928905 /nfs/dbraw/zinc/92/89/05/1259928905.db2.gz LVYOECNHMHIJFM-YOEHRIQHSA-N 2 2 364.490 0.615 20 0 FCADLP CN(C(=O)CC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC001335986134 1259931905 /nfs/dbraw/zinc/93/19/05/1259931905.db2.gz KDJTXVPGRPDTHJ-KRWDZBQOSA-N 2 2 374.485 0.562 20 0 FCADLP COC(=O)[C@H]1C[C@@H](N2CC[NH+](CCC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001256256296 1259940961 /nfs/dbraw/zinc/94/09/61/1259940961.db2.gz MUSLJYGVLKKAOP-HUUCEWRRSA-N 2 2 370.494 0.504 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)[nH+]c12 ZINC001256779051 1259959685 /nfs/dbraw/zinc/95/96/85/1259959685.db2.gz ARSUSGYDDKVEIY-HNNXBMFYSA-N 2 2 357.458 0.712 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC001256885816 1259979106 /nfs/dbraw/zinc/97/91/06/1259979106.db2.gz KGTCOOPNBMXSDE-INIZCTEOSA-N 2 2 359.474 0.767 20 0 FCADLP CCOC1CC(CNC(=O)N2CCC[C@@]23CC[NH2+]C3)([NH+]2CCOCC2)C1 ZINC001336084752 1259980439 /nfs/dbraw/zinc/98/04/39/1259980439.db2.gz VLFOKNYKBQVPBK-AVAKVYKDSA-N 2 2 366.506 0.794 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001522012406 1266299519 /nfs/dbraw/zinc/29/95/19/1266299519.db2.gz ZBIBTZUFLMMHCR-FUHWJXTLSA-N 3 2 367.538 0.103 20 0 FCADLP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001522012406 1266299526 /nfs/dbraw/zinc/29/95/26/1266299526.db2.gz ZBIBTZUFLMMHCR-FUHWJXTLSA-N 3 2 367.538 0.103 20 0 FCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257212852 1260001506 /nfs/dbraw/zinc/00/15/06/1260001506.db2.gz DGLQUVZCDNUENK-IHRRRGAJSA-N 2 2 370.494 0.020 20 0 FCADLP CC(C)C[NH+]1CCC([NH2+]CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001258011733 1260033284 /nfs/dbraw/zinc/03/32/84/1260033284.db2.gz PIQWFIXEQQRPAV-SFHVURJKSA-N 2 2 360.502 0.909 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001336194500 1260036255 /nfs/dbraw/zinc/03/62/55/1260036255.db2.gz XSUXZFGNQDCTPC-HDICACEKSA-N 4 2 364.538 0.020 20 0 FCADLP [NH3+]C1CC[NH+](CCNC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001336194500 1260036258 /nfs/dbraw/zinc/03/62/58/1260036258.db2.gz XSUXZFGNQDCTPC-HDICACEKSA-N 4 2 364.538 0.020 20 0 FCADLP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)CC1 ZINC001258770158 1260056829 /nfs/dbraw/zinc/05/68/29/1260056829.db2.gz FEKLUCBPZLMJKE-KRWDZBQOSA-N 2 2 362.474 0.369 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001261524190 1260154575 /nfs/dbraw/zinc/15/45/75/1260154575.db2.gz SAUHRFKZYQLOOI-FXUDXRNXSA-N 2 2 363.462 0.133 20 0 FCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001336555181 1260171599 /nfs/dbraw/zinc/17/15/99/1260171599.db2.gz YGPHUUDRLFOTMO-ZWKOTPCHSA-N 2 2 367.453 0.616 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)CN1CC[NH+]1CCOCC1 ZINC001336784338 1260223497 /nfs/dbraw/zinc/22/34/97/1260223497.db2.gz FUMOFIDGIYPWPG-RHSMWYFYSA-N 2 2 351.422 0.382 20 0 FCADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001262046820 1260249946 /nfs/dbraw/zinc/24/99/46/1260249946.db2.gz ZHZBLVCDBAQHPC-VQTJNVASSA-N 2 2 372.513 0.614 20 0 FCADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001262046820 1260249950 /nfs/dbraw/zinc/24/99/50/1260249950.db2.gz ZHZBLVCDBAQHPC-VQTJNVASSA-N 2 2 372.513 0.614 20 0 FCADLP C[C@@H]1COCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001262220452 1260281518 /nfs/dbraw/zinc/28/15/18/1260281518.db2.gz ORMRCXZVNHQQKU-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)[C@@H]1C[NH+](C)CCO1 ZINC001262578070 1260329490 /nfs/dbraw/zinc/32/94/90/1260329490.db2.gz HNPUKPKEBPOTOF-BGTYHANMSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)[C@@H]1C[NH+](C)CCO1 ZINC001262578070 1260329499 /nfs/dbraw/zinc/32/94/99/1260329499.db2.gz HNPUKPKEBPOTOF-BGTYHANMSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001262578070 1260329507 /nfs/dbraw/zinc/32/95/07/1260329507.db2.gz HNPUKPKEBPOTOF-BGTYHANMSA-N 3 2 365.522 0.316 20 0 FCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001262578070 1260329514 /nfs/dbraw/zinc/32/95/14/1260329514.db2.gz HNPUKPKEBPOTOF-BGTYHANMSA-N 3 2 365.522 0.316 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001263067295 1260338484 /nfs/dbraw/zinc/33/84/84/1260338484.db2.gz JMKMFMRISUNMKR-GOSISDBHSA-N 2 2 359.470 0.904 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001337322606 1260367886 /nfs/dbraw/zinc/36/78/86/1260367886.db2.gz JIPNSVXYZBNYMY-QGZVFWFLSA-N 2 2 355.442 0.610 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001271683691 1260446605 /nfs/dbraw/zinc/44/66/05/1260446605.db2.gz PRJKZUWYHJZTEW-YESZJQIVSA-N 2 2 357.458 0.427 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)CCc4c[nH]c[nH+]4)(C2)C3)CC1 ZINC001273016233 1260565469 /nfs/dbraw/zinc/56/54/69/1260565469.db2.gz WAIFPUCIJFEZFW-UHFFFAOYSA-N 2 2 359.474 0.934 20 0 FCADLP C[NH+](C)C1CCN(C(=O)C23CC(NC(=O)CCc4c[nH+]c[nH]4)(C2)C3)CC1 ZINC001273016233 1260565474 /nfs/dbraw/zinc/56/54/74/1260565474.db2.gz WAIFPUCIJFEZFW-UHFFFAOYSA-N 2 2 359.474 0.934 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211405 1260625155 /nfs/dbraw/zinc/62/51/55/1260625155.db2.gz XPQPACAHKMEEMP-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001273211405 1260625165 /nfs/dbraw/zinc/62/51/65/1260625165.db2.gz XPQPACAHKMEEMP-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001273211405 1260625174 /nfs/dbraw/zinc/62/51/74/1260625174.db2.gz XPQPACAHKMEEMP-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001273211405 1260625180 /nfs/dbraw/zinc/62/51/80/1260625180.db2.gz XPQPACAHKMEEMP-VQIMIIECSA-N 2 2 366.506 0.110 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001278182132 1260685473 /nfs/dbraw/zinc/68/54/73/1260685473.db2.gz LQDLPMADRIPOND-FHWLQOOXSA-N 2 2 361.490 0.527 20 0 FCADLP CC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)C1 ZINC001278182132 1260685479 /nfs/dbraw/zinc/68/54/79/1260685479.db2.gz LQDLPMADRIPOND-FHWLQOOXSA-N 2 2 361.490 0.527 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccnc(F)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001278727451 1260721668 /nfs/dbraw/zinc/72/16/68/1260721668.db2.gz WGVBHVNOOUGCAS-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccnc(F)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001278727451 1260721673 /nfs/dbraw/zinc/72/16/73/1260721673.db2.gz WGVBHVNOOUGCAS-IBGZPJMESA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccncc2F)C[C@@]2(CCCC(=O)N2)C1 ZINC001279399063 1260860678 /nfs/dbraw/zinc/86/06/78/1260860678.db2.gz BPLIMRLQDQEETQ-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccncc2F)C[C@@]2(CCCC(=O)N2)C1 ZINC001279399063 1260860687 /nfs/dbraw/zinc/86/06/87/1260860687.db2.gz BPLIMRLQDQEETQ-LJQANCHMSA-N 2 2 363.481 0.939 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001279590742 1260896826 /nfs/dbraw/zinc/89/68/26/1260896826.db2.gz ANBLFXIABHPZDM-KDURUIRLSA-N 3 2 358.534 0.654 20 0 FCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001279590742 1260896833 /nfs/dbraw/zinc/89/68/33/1260896833.db2.gz ANBLFXIABHPZDM-KDURUIRLSA-N 3 2 358.534 0.654 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3nc4ccccc4[nH]c3=O)C[C@H]21 ZINC001280034734 1260981877 /nfs/dbraw/zinc/98/18/77/1260981877.db2.gz DRTPJMBTOYCNPA-MSOLQXFVSA-N 2 2 357.458 0.370 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]c3=O)C[C@H]21 ZINC001280034734 1260981883 /nfs/dbraw/zinc/98/18/83/1260981883.db2.gz DRTPJMBTOYCNPA-MSOLQXFVSA-N 2 2 357.458 0.370 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991773 /nfs/dbraw/zinc/99/17/73/1260991773.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 3 2 360.506 0.328 20 0 FCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991775 /nfs/dbraw/zinc/99/17/75/1260991775.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 3 2 360.506 0.328 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991776 /nfs/dbraw/zinc/99/17/76/1260991776.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 3 2 360.506 0.328 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)CC1 ZINC001280075543 1260991778 /nfs/dbraw/zinc/99/17/78/1260991778.db2.gz ZZRXJEKVDGDPJI-HDICACEKSA-N 3 2 360.506 0.328 20 0 FCADLP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001280120674 1261009199 /nfs/dbraw/zinc/00/91/99/1261009199.db2.gz PXWWEIMPBCNXDV-HOTGVXAUSA-N 2 2 360.458 0.719 20 0 FCADLP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001280120674 1261009203 /nfs/dbraw/zinc/00/92/03/1261009203.db2.gz PXWWEIMPBCNXDV-HOTGVXAUSA-N 2 2 360.458 0.719 20 0 FCADLP C[NH+]1CCC(C[N@H+]2CCc3n[nH]c(C(=O)NCc4cnc[nH]4)c3C2)CC1 ZINC001280124910 1261010959 /nfs/dbraw/zinc/01/09/59/1261010959.db2.gz AAOFYYLPTGDKGR-UHFFFAOYSA-N 2 2 357.462 0.763 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001280169334 1261019800 /nfs/dbraw/zinc/01/98/00/1261019800.db2.gz AOQZSEAPTCKNJP-RCCFBDPRSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001280169334 1261019807 /nfs/dbraw/zinc/01/98/07/1261019807.db2.gz AOQZSEAPTCKNJP-RCCFBDPRSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001280169333 1261019844 /nfs/dbraw/zinc/01/98/44/1261019844.db2.gz AOQZSEAPTCKNJP-OKZBNKHCSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001280169333 1261019847 /nfs/dbraw/zinc/01/98/47/1261019847.db2.gz AOQZSEAPTCKNJP-OKZBNKHCSA-N 2 2 362.518 0.872 20 0 FCADLP NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2O1 ZINC001280288616 1261047155 /nfs/dbraw/zinc/04/71/55/1261047155.db2.gz RLFBAGZLJUONDD-QRVBRYPASA-N 2 2 359.470 0.984 20 0 FCADLP NC(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2O1 ZINC001280288616 1261047159 /nfs/dbraw/zinc/04/71/59/1261047159.db2.gz RLFBAGZLJUONDD-QRVBRYPASA-N 2 2 359.470 0.984 20 0 FCADLP Cn1c[nH+]cc1CN1CCn2c(C(=O)NC3CC[NH+](C)CC3)cnc2C1 ZINC001280291530 1261049599 /nfs/dbraw/zinc/04/95/99/1261049599.db2.gz SIHZPBFPVQXUBD-UHFFFAOYSA-N 2 2 357.462 0.456 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001282016491 1261333080 /nfs/dbraw/zinc/33/30/80/1261333080.db2.gz AFNWVYAPPUGVDA-BZUAXINKSA-N 2 2 361.490 0.991 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001282016491 1261333086 /nfs/dbraw/zinc/33/30/86/1261333086.db2.gz AFNWVYAPPUGVDA-BZUAXINKSA-N 2 2 361.490 0.991 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345116658 1261637583 /nfs/dbraw/zinc/63/75/83/1261637583.db2.gz IBBIAXZMTAMSJN-CVEARBPZSA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC001345116658 1261637587 /nfs/dbraw/zinc/63/75/87/1261637587.db2.gz IBBIAXZMTAMSJN-CVEARBPZSA-N 2 2 373.501 0.802 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290880047 1262526746 /nfs/dbraw/zinc/52/67/46/1262526746.db2.gz ATMFFWQEYCASMG-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001290880047 1262526748 /nfs/dbraw/zinc/52/67/48/1262526748.db2.gz ATMFFWQEYCASMG-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001290880047 1262526751 /nfs/dbraw/zinc/52/67/51/1262526751.db2.gz ATMFFWQEYCASMG-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001290880047 1262526756 /nfs/dbraw/zinc/52/67/56/1262526756.db2.gz ATMFFWQEYCASMG-INIZCTEOSA-N 2 2 364.494 0.218 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC(C)(C)N1CC[NH+](C)CC1)n2C ZINC001292954470 1262706798 /nfs/dbraw/zinc/70/67/98/1262706798.db2.gz AMSIXLHXZORDKS-UHFFFAOYSA-N 2 2 373.505 0.790 20 0 FCADLP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001580354471 1278155156 /nfs/dbraw/zinc/15/51/56/1278155156.db2.gz YTBDJBDJHBCUJL-DGCLKSJQSA-N 2 2 353.390 0.099 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926513 1263112162 /nfs/dbraw/zinc/11/21/62/1263112162.db2.gz IFLYANOYELPBKB-ZMSDIMECSA-N 2 2 354.495 0.506 20 0 FCADLP CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926513 1263112166 /nfs/dbraw/zinc/11/21/66/1263112166.db2.gz IFLYANOYELPBKB-ZMSDIMECSA-N 2 2 354.495 0.506 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477926510 1263112193 /nfs/dbraw/zinc/11/21/93/1263112193.db2.gz IFLYANOYELPBKB-BFYDXBDKSA-N 2 2 354.495 0.506 20 0 FCADLP CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477926510 1263112198 /nfs/dbraw/zinc/11/21/98/1263112198.db2.gz IFLYANOYELPBKB-BFYDXBDKSA-N 2 2 354.495 0.506 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479425516 1263195272 /nfs/dbraw/zinc/19/52/72/1263195272.db2.gz FKAPEBPMBPEPQW-FHLIZLRMSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479425516 1263195276 /nfs/dbraw/zinc/19/52/76/1263195276.db2.gz FKAPEBPMBPEPQW-FHLIZLRMSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479425516 1263195279 /nfs/dbraw/zinc/19/52/79/1263195279.db2.gz FKAPEBPMBPEPQW-FHLIZLRMSA-N 2 2 358.486 0.929 20 0 FCADLP C[C@H](C(N)=O)[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479425516 1263195283 /nfs/dbraw/zinc/19/52/83/1263195283.db2.gz FKAPEBPMBPEPQW-FHLIZLRMSA-N 2 2 358.486 0.929 20 0 FCADLP Cc1nnc2n1C[C@H](C(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CC2 ZINC001319398891 1263688051 /nfs/dbraw/zinc/68/80/51/1263688051.db2.gz IXSSDYDXYWKOJE-OAHLLOKOSA-N 2 2 360.506 0.824 20 0 FCADLP Cn1cc([C@H](CO)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001320225937 1263774456 /nfs/dbraw/zinc/77/44/56/1263774456.db2.gz IOCWGKBGHUUPPY-KRWDZBQOSA-N 2 2 364.494 0.311 20 0 FCADLP CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496975380 1263907318 /nfs/dbraw/zinc/90/73/18/1263907318.db2.gz WNISXYOQSFEQRC-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496975380 1263907325 /nfs/dbraw/zinc/90/73/25/1263907325.db2.gz WNISXYOQSFEQRC-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497259178 1263921138 /nfs/dbraw/zinc/92/11/38/1263921138.db2.gz IQKPKFYBHZXCHV-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497259178 1263921144 /nfs/dbraw/zinc/92/11/44/1263921144.db2.gz IQKPKFYBHZXCHV-ARFHVFGLSA-N 2 2 361.490 0.830 20 0 FCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC001321305344 1263934197 /nfs/dbraw/zinc/93/41/97/1263934197.db2.gz WFTZUDSSGHOKGC-YESZJQIVSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC001321410971 1263955580 /nfs/dbraw/zinc/95/55/80/1263955580.db2.gz WKVMKNYOODSPLE-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC001321410971 1263955582 /nfs/dbraw/zinc/95/55/82/1263955582.db2.gz WKVMKNYOODSPLE-IAGOWNOFSA-N 2 2 366.506 0.156 20 0 FCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001321508754 1263980133 /nfs/dbraw/zinc/98/01/33/1263980133.db2.gz KNXZDSZTMYXXFP-MRXNPFEDSA-N 2 2 355.442 0.899 20 0 FCADLP CCc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001498727864 1263984849 /nfs/dbraw/zinc/98/48/49/1263984849.db2.gz GMGNIUXWKXFQSE-INIZCTEOSA-N 2 2 350.511 0.949 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC001321676246 1264030691 /nfs/dbraw/zinc/03/06/91/1264030691.db2.gz UYRXTXUOJBIYHZ-ULQDDVLXSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC001321676246 1264030700 /nfs/dbraw/zinc/03/07/00/1264030700.db2.gz UYRXTXUOJBIYHZ-ULQDDVLXSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC001321676247 1264030822 /nfs/dbraw/zinc/03/08/22/1264030822.db2.gz UYRXTXUOJBIYHZ-YESZJQIVSA-N 2 2 373.501 0.944 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC001321676247 1264030831 /nfs/dbraw/zinc/03/08/31/1264030831.db2.gz UYRXTXUOJBIYHZ-YESZJQIVSA-N 2 2 373.501 0.944 20 0 FCADLP Cc1nccc(CNC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC001321802364 1264067411 /nfs/dbraw/zinc/06/74/11/1264067411.db2.gz BQAHUJREZFWMPQ-UHFFFAOYSA-N 2 2 374.489 0.076 20 0 FCADLP Cc1noc([C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC001322045243 1264137549 /nfs/dbraw/zinc/13/75/49/1264137549.db2.gz OFADVONYJAIJQO-LBPRGKRZSA-N 2 2 366.466 0.040 20 0 FCADLP Cc1noc([C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC001322045243 1264137553 /nfs/dbraw/zinc/13/75/53/1264137553.db2.gz OFADVONYJAIJQO-LBPRGKRZSA-N 2 2 366.466 0.040 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CC1 ZINC001322170754 1264159416 /nfs/dbraw/zinc/15/94/16/1264159416.db2.gz COUSPLATYCJZCX-OAHLLOKOSA-N 2 2 361.490 0.802 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CC1 ZINC001322170754 1264159421 /nfs/dbraw/zinc/15/94/21/1264159421.db2.gz COUSPLATYCJZCX-OAHLLOKOSA-N 2 2 361.490 0.802 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001322696758 1264245444 /nfs/dbraw/zinc/24/54/44/1264245444.db2.gz ZRBFLMLGDSVNPZ-OAGGEKHMSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001322696758 1264245449 /nfs/dbraw/zinc/24/54/49/1264245449.db2.gz ZRBFLMLGDSVNPZ-OAGGEKHMSA-N 2 2 361.490 0.800 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001322774290 1264261269 /nfs/dbraw/zinc/26/12/69/1264261269.db2.gz RMPKPJQKLMJDSP-SJORKVTESA-N 2 2 373.501 0.802 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001322774290 1264261276 /nfs/dbraw/zinc/26/12/76/1264261276.db2.gz RMPKPJQKLMJDSP-SJORKVTESA-N 2 2 373.501 0.802 20 0 FCADLP C[C@H](O)CC(C)(C)CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001323215668 1264369843 /nfs/dbraw/zinc/36/98/43/1264369843.db2.gz GBCIWELVRBZFIU-HNNXBMFYSA-N 2 2 370.538 0.384 20 0 FCADLP C[C@H](O)CC(C)(C)CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001323215668 1264369851 /nfs/dbraw/zinc/36/98/51/1264369851.db2.gz GBCIWELVRBZFIU-HNNXBMFYSA-N 2 2 370.538 0.384 20 0 FCADLP CNC(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001323922951 1264541104 /nfs/dbraw/zinc/54/11/04/1264541104.db2.gz QVKPBXGZZFMIOJ-OAHLLOKOSA-N 2 2 359.474 0.682 20 0 FCADLP CNC(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC001323922951 1264541110 /nfs/dbraw/zinc/54/11/10/1264541110.db2.gz QVKPBXGZZFMIOJ-OAHLLOKOSA-N 2 2 359.474 0.682 20 0 FCADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325412577 1264878932 /nfs/dbraw/zinc/87/89/32/1264878932.db2.gz FMRURPUNXIVFTE-UHFFFAOYSA-N 2 2 359.474 0.992 20 0 FCADLP [NH3+]Cc1ccccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001325421443 1264880697 /nfs/dbraw/zinc/88/06/97/1264880697.db2.gz BXFBJSCTPPCQOT-KRWDZBQOSA-N 2 2 360.458 0.085 20 0 FCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001325625353 1264950846 /nfs/dbraw/zinc/95/08/46/1264950846.db2.gz FMENYNWTSIOWAB-OAHLLOKOSA-N 2 2 361.490 0.487 20 0 FCADLP CN(C(=O)NCc1cc(C(N)=O)no1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325721475 1264978523 /nfs/dbraw/zinc/97/85/23/1264978523.db2.gz FDYRRBCICHMAIO-CYBMUJFWSA-N 2 2 364.450 0.083 20 0 FCADLP CN(C(=O)NCc1cc(C(N)=O)no1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325721475 1264978528 /nfs/dbraw/zinc/97/85/28/1264978528.db2.gz FDYRRBCICHMAIO-CYBMUJFWSA-N 2 2 364.450 0.083 20 0 FCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001326590992 1265138257 /nfs/dbraw/zinc/13/82/57/1265138257.db2.gz NQHDOMYKIUVOGV-ARFHVFGLSA-N 2 2 359.474 0.766 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001326969986 1265210312 /nfs/dbraw/zinc/21/03/12/1265210312.db2.gz SKDZVKCJERAFGH-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001326969986 1265210319 /nfs/dbraw/zinc/21/03/19/1265210319.db2.gz SKDZVKCJERAFGH-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001326969986 1265210330 /nfs/dbraw/zinc/21/03/30/1265210330.db2.gz SKDZVKCJERAFGH-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001326969986 1265210335 /nfs/dbraw/zinc/21/03/35/1265210335.db2.gz SKDZVKCJERAFGH-INIZCTEOSA-N 2 2 366.506 0.252 20 0 FCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001327412609 1265308185 /nfs/dbraw/zinc/30/81/85/1265308185.db2.gz MNXYIMVEPVZMDG-GUXCAODWSA-N 2 2 373.501 0.789 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001327412607 1265308669 /nfs/dbraw/zinc/30/86/69/1265308669.db2.gz MNXYIMVEPVZMDG-FTRWYGJKSA-N 2 2 373.501 0.789 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575024 1266636102 /nfs/dbraw/zinc/63/61/02/1266636102.db2.gz RBDDXEWBODYEDN-ARFHVFGLSA-N 2 2 350.463 0.597 20 0 FCADLP CO[C@@H]1CCN2C(=O)N([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@H]2C1 ZINC001333575024 1266636107 /nfs/dbraw/zinc/63/61/07/1266636107.db2.gz RBDDXEWBODYEDN-ARFHVFGLSA-N 2 2 350.463 0.597 20 0 FCADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc2)CC1 ZINC001333631317 1266658007 /nfs/dbraw/zinc/65/80/07/1266658007.db2.gz PFHKISSZAUOXTE-INIZCTEOSA-N 2 2 368.503 0.135 20 0 FCADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001527878001 1266932597 /nfs/dbraw/zinc/93/25/97/1266932597.db2.gz KQQWFBQIBVMHOX-INIZCTEOSA-N 2 2 352.479 0.563 20 0 FCADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001527878001 1266932600 /nfs/dbraw/zinc/93/26/00/1266932600.db2.gz KQQWFBQIBVMHOX-INIZCTEOSA-N 2 2 352.479 0.563 20 0 FCADLP CNC(=O)[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1c1cnn(C)c1 ZINC001548828671 1267760354 /nfs/dbraw/zinc/76/03/54/1267760354.db2.gz GGNZSCWUKZBQPP-HUUCEWRRSA-N 2 2 362.503 0.900 20 0 FCADLP CNC(=O)[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1c1cnn(C)c1 ZINC001548828671 1267760361 /nfs/dbraw/zinc/76/03/61/1267760361.db2.gz GGNZSCWUKZBQPP-HUUCEWRRSA-N 2 2 362.503 0.900 20 0 FCADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC001549117830 1267813573 /nfs/dbraw/zinc/81/35/73/1267813573.db2.gz TVOBTEBZVHPNHU-FHLIZLRMSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C1CC1 ZINC001549117830 1267813589 /nfs/dbraw/zinc/81/35/89/1267813589.db2.gz TVOBTEBZVHPNHU-FHLIZLRMSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C1CC1 ZINC001549117830 1267813602 /nfs/dbraw/zinc/81/36/02/1267813602.db2.gz TVOBTEBZVHPNHU-FHLIZLRMSA-N 2 2 361.490 0.782 20 0 FCADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C1CC1 ZINC001549117830 1267813617 /nfs/dbraw/zinc/81/36/17/1267813617.db2.gz TVOBTEBZVHPNHU-FHLIZLRMSA-N 2 2 361.490 0.782 20 0 FCADLP C[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C)[NH+]1CCCCC1 ZINC001549158634 1267837387 /nfs/dbraw/zinc/83/73/87/1267837387.db2.gz OLWZAKBBNFMEKN-CPUCHLNUSA-N 2 2 362.478 0.913 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001549158320 1267838246 /nfs/dbraw/zinc/83/82/46/1267838246.db2.gz IVTWFMHEGBHEFS-SZOQZIPDSA-N 2 2 360.462 0.666 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001549158320 1267838250 /nfs/dbraw/zinc/83/82/50/1267838250.db2.gz IVTWFMHEGBHEFS-SZOQZIPDSA-N 2 2 360.462 0.666 20 0 FCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549163135 1267842782 /nfs/dbraw/zinc/84/27/82/1267842782.db2.gz UEBCNHHDFHPCQE-JKIFEVAISA-N 2 2 362.478 0.866 20 0 FCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549163135 1267842799 /nfs/dbraw/zinc/84/27/99/1267842799.db2.gz UEBCNHHDFHPCQE-JKIFEVAISA-N 2 2 362.478 0.866 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC1CCC(C[NH3+])CC1 ZINC001549176857 1267854160 /nfs/dbraw/zinc/85/41/60/1267854160.db2.gz YSOGRKRPGDYIKL-YJJGSOMYSA-N 2 2 362.478 0.804 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001549241127 1267874198 /nfs/dbraw/zinc/87/41/98/1267874198.db2.gz VZYNOBBWLKLZIO-HEHGZKQESA-N 2 2 362.478 0.912 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001549241127 1267874209 /nfs/dbraw/zinc/87/42/09/1267874209.db2.gz VZYNOBBWLKLZIO-HEHGZKQESA-N 2 2 362.478 0.912 20 0 FCADLP O=C1C[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)CN1CC[NH+]1CCOCC1 ZINC001338489497 1267958230 /nfs/dbraw/zinc/95/82/30/1267958230.db2.gz UCMBDFINTANLTM-MOPGFXCFSA-N 2 2 361.486 0.503 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC001550007689 1268045839 /nfs/dbraw/zinc/04/58/39/1268045839.db2.gz KWYYKOUWYRCEET-OALUTQOASA-N 2 2 366.550 0.972 20 0 FCADLP Cn1c[nH+]cc1[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[NH2+]CCC12CCC2 ZINC001550268531 1268101753 /nfs/dbraw/zinc/10/17/53/1268101753.db2.gz UUHOOQWKRHQORH-BBRMVZONSA-N 2 2 360.462 0.667 20 0 FCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542017 1268130217 /nfs/dbraw/zinc/13/02/17/1268130217.db2.gz JAZROGUVNMTMTK-CHWSQXEVSA-N 2 2 366.412 0.903 20 0 FCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542017 1268130225 /nfs/dbraw/zinc/13/02/25/1268130225.db2.gz JAZROGUVNMTMTK-CHWSQXEVSA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542017 1268130230 /nfs/dbraw/zinc/13/02/30/1268130230.db2.gz JAZROGUVNMTMTK-CHWSQXEVSA-N 2 2 366.412 0.903 20 0 FCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]2C1 ZINC001550542017 1268130238 /nfs/dbraw/zinc/13/02/38/1268130238.db2.gz JAZROGUVNMTMTK-CHWSQXEVSA-N 2 2 366.412 0.903 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3C[NH2+]C[C@H]3F)C2)c1 ZINC001550765678 1268165923 /nfs/dbraw/zinc/16/59/23/1268165923.db2.gz VNHGHKDZSIRUFC-ZACQAIPSSA-N 2 2 350.438 0.805 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3C[NH2+]C[C@H]3F)C2)c1 ZINC001550765678 1268165928 /nfs/dbraw/zinc/16/59/28/1268165928.db2.gz VNHGHKDZSIRUFC-ZACQAIPSSA-N 2 2 350.438 0.805 20 0 FCADLP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H](C(F)F)n3cc[nH+]c3)CC2)C1=O ZINC001550791597 1268169453 /nfs/dbraw/zinc/16/94/53/1268169453.db2.gz YVZCDVYXIZFOED-UONOGXRCSA-N 2 2 369.416 0.891 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@@H]1C ZINC001339148308 1268176364 /nfs/dbraw/zinc/17/63/64/1268176364.db2.gz WRRUENYRENHIAP-LSDHHAIUSA-N 2 2 350.511 0.938 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(c2nnc(C[NH+]3CCC(CO)CC3)n2C)C[C@@H]1C ZINC001339148308 1268176369 /nfs/dbraw/zinc/17/63/69/1268176369.db2.gz WRRUENYRENHIAP-LSDHHAIUSA-N 2 2 350.511 0.938 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCC[C@@H]3S(C)(=O)=O)c2)CC1 ZINC001550877587 1268178903 /nfs/dbraw/zinc/17/89/03/1268178903.db2.gz ZFLAGAKPASOACE-CABCVRRESA-N 2 2 366.487 0.985 20 0 FCADLP C[C@@H]1CCCn2c(CC(=O)N3C[C@@H](n4ccnn4)[C@@H]([NH+](C)C)C3)c[nH+]c21 ZINC001550869287 1268179041 /nfs/dbraw/zinc/17/90/41/1268179041.db2.gz YGYKZWNQORAHAR-VNQPRFMTSA-N 2 2 357.462 0.928 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC001552169125 1268400884 /nfs/dbraw/zinc/40/08/84/1268400884.db2.gz WHFVUNXVNYRSLM-HIFRSBDPSA-N 2 2 359.434 0.109 20 0 FCADLP [NH3+]C[C@@]12CCC[C@@H]1CN(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC001552190289 1268406574 /nfs/dbraw/zinc/40/65/74/1268406574.db2.gz DLQBTVBAMNPQBV-CRAIPNDOSA-N 2 2 362.478 0.808 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552438633 1268464757 /nfs/dbraw/zinc/46/47/57/1268464757.db2.gz PTDCUVXTSXSMFC-FPCVCCKLSA-N 2 2 364.494 0.820 20 0 FCADLP C[NH+](C)[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1n1ccnn1 ZINC001552597418 1268481778 /nfs/dbraw/zinc/48/17/78/1268481778.db2.gz MXOZJOQTXOZASM-JKSUJKDBSA-N 2 2 372.477 0.550 20 0 FCADLP CC(C)[C@H](CNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1)[NH+]1CCOCC1 ZINC001552691245 1268522407 /nfs/dbraw/zinc/52/24/07/1268522407.db2.gz QGQJCYYEIJPWLR-XIRDDKMYSA-N 2 2 364.494 0.807 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001552695856 1268523315 /nfs/dbraw/zinc/52/33/15/1268523315.db2.gz JDZHPYUKUQIOME-OWVAZHOYSA-N 2 2 364.494 0.948 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001552695856 1268523319 /nfs/dbraw/zinc/52/33/19/1268523319.db2.gz JDZHPYUKUQIOME-OWVAZHOYSA-N 2 2 364.494 0.948 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC001552695353 1268523370 /nfs/dbraw/zinc/52/33/70/1268523370.db2.gz ULMATRDBONAGQT-BFYDXBDKSA-N 2 2 362.478 0.657 20 0 FCADLP C[C@H](CNC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001552695859 1268523705 /nfs/dbraw/zinc/52/37/05/1268523705.db2.gz JDZHPYUKUQIOME-WVCIDPQESA-N 2 2 364.494 0.948 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)c2nn(C)cc2C[N@@H+]2CC[C@@H](O)C2)c1C ZINC001552706787 1268527751 /nfs/dbraw/zinc/52/77/51/1268527751.db2.gz PZSLEEQKWJKUKP-OAHLLOKOSA-N 2 2 373.457 0.937 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)c2nn(C)cc2C[N@H+]2CC[C@@H](O)C2)c1C ZINC001552706787 1268527758 /nfs/dbraw/zinc/52/77/58/1268527758.db2.gz PZSLEEQKWJKUKP-OAHLLOKOSA-N 2 2 373.457 0.937 20 0 FCADLP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001552794261 1268547927 /nfs/dbraw/zinc/54/79/27/1268547927.db2.gz KAIDEXIKQYKGBG-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001552794261 1268547932 /nfs/dbraw/zinc/54/79/32/1268547932.db2.gz KAIDEXIKQYKGBG-BSDSXHPESA-N 2 2 368.522 0.990 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CN3CC[C@H](C4CCOCC4)C3=O)C2)CC1 ZINC001552924527 1268565864 /nfs/dbraw/zinc/56/58/64/1268565864.db2.gz CBHHVNBVBJYRLP-RBUKOAKNSA-N 2 2 364.534 0.931 20 0 FCADLP Cn1cc(C[N@@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987010 1268573277 /nfs/dbraw/zinc/57/32/77/1268573277.db2.gz JIIOFRWJYASINL-JKSUJKDBSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[N@H+]2CC[C@H](O)C2)c(C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987010 1268573281 /nfs/dbraw/zinc/57/32/81/1268573281.db2.gz JIIOFRWJYASINL-JKSUJKDBSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987010 1268573289 /nfs/dbraw/zinc/57/32/89/1268573289.db2.gz JIIOFRWJYASINL-JKSUJKDBSA-N 2 2 363.506 0.789 20 0 FCADLP Cn1cc(C[NH+]2CC[C@H](O)C2)c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC001552987010 1268573293 /nfs/dbraw/zinc/57/32/93/1268573293.db2.gz JIIOFRWJYASINL-JKSUJKDBSA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)C2 ZINC001552995615 1268574870 /nfs/dbraw/zinc/57/48/70/1268574870.db2.gz FJPKPYTVTUKUCZ-IMPIEMTGSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)C2 ZINC001552995615 1268574873 /nfs/dbraw/zinc/57/48/73/1268574873.db2.gz FJPKPYTVTUKUCZ-IMPIEMTGSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C2 ZINC001552995615 1268574888 /nfs/dbraw/zinc/57/48/88/1268574888.db2.gz FJPKPYTVTUKUCZ-IMPIEMTGSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001552995615 1268574892 /nfs/dbraw/zinc/57/48/92/1268574892.db2.gz FJPKPYTVTUKUCZ-IMPIEMTGSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001553166176 1268601879 /nfs/dbraw/zinc/60/18/79/1268601879.db2.gz MJZTVWFRRJMVJN-DLBZAZTESA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1nn(C)cc1C[NH+]1CC[C@@H](O)C1 ZINC001553166176 1268601885 /nfs/dbraw/zinc/60/18/85/1268601885.db2.gz MJZTVWFRRJMVJN-DLBZAZTESA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001553166176 1268601892 /nfs/dbraw/zinc/60/18/92/1268601892.db2.gz MJZTVWFRRJMVJN-DLBZAZTESA-N 2 2 363.506 0.789 20 0 FCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001553166176 1268601897 /nfs/dbraw/zinc/60/18/97/1268601897.db2.gz MJZTVWFRRJMVJN-DLBZAZTESA-N 2 2 363.506 0.789 20 0 FCADLP O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1)Nc1ccccc1 ZINC001553405662 1268646212 /nfs/dbraw/zinc/64/62/12/1268646212.db2.gz FUAQBULHGZCTHP-SQNIBIBYSA-N 2 2 372.469 0.725 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553453801 1268652724 /nfs/dbraw/zinc/65/27/24/1268652724.db2.gz ZRIJHRZJDMYCAH-GJZGRUSLSA-N 2 2 372.535 0.136 20 0 FCADLP O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001553548134 1268668298 /nfs/dbraw/zinc/66/82/98/1268668298.db2.gz IILXATFVDUBSBV-ROUUACIJSA-N 2 2 358.490 0.734 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001341150331 1268808538 /nfs/dbraw/zinc/80/85/38/1268808538.db2.gz COTGTGYCOSOTKT-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001341150331 1268808559 /nfs/dbraw/zinc/80/85/59/1268808559.db2.gz COTGTGYCOSOTKT-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001341624445 1269117064 /nfs/dbraw/zinc/11/70/64/1269117064.db2.gz VAAUMQZLUBHAFS-HNNXBMFYSA-N 2 2 358.442 0.409 20 0 FCADLP CN(C)C(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076866 1269407666 /nfs/dbraw/zinc/40/76/66/1269407666.db2.gz IGMBGRYIYYJAJD-HUUCEWRRSA-N 2 2 351.495 0.275 20 0 FCADLP CN(C)C(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001564076866 1269407671 /nfs/dbraw/zinc/40/76/71/1269407671.db2.gz IGMBGRYIYYJAJD-HUUCEWRRSA-N 2 2 351.495 0.275 20 0 FCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[C@@H]1C(F)(F)F ZINC001342480228 1269487624 /nfs/dbraw/zinc/48/76/24/1269487624.db2.gz DOOKVUYPGZYOOS-RQJABVFESA-N 2 2 365.396 0.604 20 0 FCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cnn(C)c1 ZINC001565926970 1269523367 /nfs/dbraw/zinc/52/33/67/1269523367.db2.gz IDWLSTXVAKJPNX-YLQAJVPDSA-N 2 2 360.462 0.613 20 0 FCADLP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001565974549 1269536256 /nfs/dbraw/zinc/53/62/56/1269536256.db2.gz MKFHHXCAWLHRJE-AGIUHOORSA-N 2 2 364.450 0.013 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCOC3(CCOCC3)CC1)C2=O ZINC001342729365 1269580221 /nfs/dbraw/zinc/58/02/21/1269580221.db2.gz PRKNXGIMKYAJRS-UHFFFAOYSA-N 2 2 366.462 0.232 20 0 FCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCOC3(CCOCC3)CC1)C2=O ZINC001342729365 1269580228 /nfs/dbraw/zinc/58/02/28/1269580228.db2.gz PRKNXGIMKYAJRS-UHFFFAOYSA-N 2 2 366.462 0.232 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC2CCC2)CC1 ZINC001569418809 1269783445 /nfs/dbraw/zinc/78/34/45/1269783445.db2.gz HZXXMEGJJOGSHT-HUUCEWRRSA-N 2 2 359.474 0.678 20 0 FCADLP CCC1([NH2+]C[C@@H](O)COC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001570255822 1269857148 /nfs/dbraw/zinc/85/71/48/1269857148.db2.gz AOAFVZAQUNWVJA-RBSFLKMASA-N 2 2 350.463 0.881 20 0 FCADLP CCC1([NH2+]C[C@@H](O)COC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001570255822 1269857165 /nfs/dbraw/zinc/85/71/65/1269857165.db2.gz AOAFVZAQUNWVJA-RBSFLKMASA-N 2 2 350.463 0.881 20 0 FCADLP O=C(CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCN(c2cccc[nH+]2)CC1 ZINC001343409771 1269901435 /nfs/dbraw/zinc/90/14/35/1269901435.db2.gz RRTKBTGFHBMYGH-ARFHVFGLSA-N 2 2 357.458 0.377 20 0 FCADLP C[C@H]1c2nncn2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001343558593 1269946916 /nfs/dbraw/zinc/94/69/16/1269946916.db2.gz DKUFAUOJUFDEEA-AWEZNQCLSA-N 2 2 361.494 0.923 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001343962116 1270063907 /nfs/dbraw/zinc/06/39/07/1270063907.db2.gz AYDRDHGILYWBAD-GDBMZVCRSA-N 2 2 359.474 0.662 20 0 FCADLP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)CC(C)(C)C ZINC001572827895 1270206502 /nfs/dbraw/zinc/20/65/02/1270206502.db2.gz IXHRVEGZSTZYTO-HUUCEWRRSA-N 2 2 365.478 0.008 20 0 FCADLP C[N@@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)CC(C)(C)C ZINC001572827895 1270206511 /nfs/dbraw/zinc/20/65/11/1270206511.db2.gz IXHRVEGZSTZYTO-HUUCEWRRSA-N 2 2 365.478 0.008 20 0 FCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC12CC[NH2+]CC2 ZINC001580635163 1278598512 /nfs/dbraw/zinc/59/85/12/1278598512.db2.gz LBUFSRIVJNYYAV-KRWDZBQOSA-N 2 2 354.520 0.732 20 0 FCADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574031945 1271013874 /nfs/dbraw/zinc/01/38/74/1271013874.db2.gz ADINYIJJNNYJSY-HNNXBMFYSA-N 2 2 369.433 0.523 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574251316 1271119116 /nfs/dbraw/zinc/11/91/16/1271119116.db2.gz CLKXSWNPQLAHOQ-UHFFFAOYSA-N 2 2 357.462 0.850 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001574251316 1271119121 /nfs/dbraw/zinc/11/91/21/1271119121.db2.gz CLKXSWNPQLAHOQ-UHFFFAOYSA-N 2 2 357.462 0.850 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001574261916 1271138067 /nfs/dbraw/zinc/13/80/67/1271138067.db2.gz NDVQEUCAPHZGEG-HNNXBMFYSA-N 2 2 372.477 0.933 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001574261916 1271138070 /nfs/dbraw/zinc/13/80/70/1271138070.db2.gz NDVQEUCAPHZGEG-HNNXBMFYSA-N 2 2 372.477 0.933 20 0 FCADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574782204 1271516925 /nfs/dbraw/zinc/51/69/25/1271516925.db2.gz WDDMZOQUVMKAOP-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574782204 1271516930 /nfs/dbraw/zinc/51/69/30/1271516930.db2.gz WDDMZOQUVMKAOP-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574782204 1271516934 /nfs/dbraw/zinc/51/69/34/1271516934.db2.gz WDDMZOQUVMKAOP-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574782204 1271516938 /nfs/dbraw/zinc/51/69/38/1271516938.db2.gz WDDMZOQUVMKAOP-DGCLKSJQSA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574805723 1271546293 /nfs/dbraw/zinc/54/62/93/1271546293.db2.gz XYHDKXBXRMVWHO-LBPRGKRZSA-N 2 2 358.450 0.544 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001575060085 1271704142 /nfs/dbraw/zinc/70/41/42/1271704142.db2.gz SCWDERRQZNLDTC-LPHOPBHVSA-N 2 2 359.474 0.183 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001575114887 1271726807 /nfs/dbraw/zinc/72/68/07/1271726807.db2.gz KXVRNVZMJSWODZ-BBRMVZONSA-N 2 2 373.461 0.134 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001575114887 1271726813 /nfs/dbraw/zinc/72/68/13/1271726813.db2.gz KXVRNVZMJSWODZ-BBRMVZONSA-N 2 2 373.461 0.134 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)C1 ZINC001575187084 1271773905 /nfs/dbraw/zinc/77/39/05/1271773905.db2.gz OPFWEXIGCQVGED-ZWKOTPCHSA-N 2 2 355.479 0.813 20 0 FCADLP CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)C1 ZINC001575187084 1271773909 /nfs/dbraw/zinc/77/39/09/1271773909.db2.gz OPFWEXIGCQVGED-ZWKOTPCHSA-N 2 2 355.479 0.813 20 0 FCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575294707 1271883625 /nfs/dbraw/zinc/88/36/25/1271883625.db2.gz URJHNVBUIGGHNA-ZDUSSCGKSA-N 2 2 366.429 0.700 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575390713 1272037629 /nfs/dbraw/zinc/03/76/29/1272037629.db2.gz CMEWWRPBVYISIH-RYUDHWBXSA-N 2 2 354.418 0.815 20 0 FCADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575818596 1272476621 /nfs/dbraw/zinc/47/66/21/1272476621.db2.gz OKDZVBPFBGHDMN-MRXNPFEDSA-N 2 2 353.390 0.243 20 0 FCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001576017852 1272718041 /nfs/dbraw/zinc/71/80/41/1272718041.db2.gz CPZXYWFYDBUUET-JQWIXIFHSA-N 2 2 372.458 0.973 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]Cc2c[nH]nn2)CCOCC1 ZINC001576070058 1272830194 /nfs/dbraw/zinc/83/01/94/1272830194.db2.gz BUWGXCDACCJDPJ-OKILXGFUSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1(C[NH2+]Cc2c[nH]nn2)CCOCC1 ZINC001576070058 1272830205 /nfs/dbraw/zinc/83/02/05/1272830205.db2.gz BUWGXCDACCJDPJ-OKILXGFUSA-N 2 2 350.467 0.433 20 0 FCADLP C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576083641 1272858099 /nfs/dbraw/zinc/85/80/99/1272858099.db2.gz FDZBLOQCOWZOKO-TZMCWYRMSA-N 2 2 370.461 0.332 20 0 FCADLP C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122541 1272915584 /nfs/dbraw/zinc/91/55/84/1272915584.db2.gz DNVVLCWCBGCFMN-MAUKXSAKSA-N 2 2 356.474 0.916 20 0 FCADLP C[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]Cc1cnn[nH]1 ZINC001576122541 1272915590 /nfs/dbraw/zinc/91/55/90/1272915590.db2.gz DNVVLCWCBGCFMN-MAUKXSAKSA-N 2 2 356.474 0.916 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576255369 1273039084 /nfs/dbraw/zinc/03/90/84/1273039084.db2.gz JOPVBDPDTSZWCT-SWLSCSKDSA-N 2 2 356.434 0.038 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576271582 1273073014 /nfs/dbraw/zinc/07/30/14/1273073014.db2.gz SJJCEWLEQOZCPE-YPMHNXCESA-N 2 2 372.458 0.761 20 0 FCADLP CC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1[NH2+]Cc1cnn[nH]1 ZINC001576321986 1273131544 /nfs/dbraw/zinc/13/15/44/1273131544.db2.gz TUJJSJPNDYQFQO-GOEBONIOSA-N 2 2 350.467 0.244 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001576334650 1273153222 /nfs/dbraw/zinc/15/32/22/1273153222.db2.gz XXQQUNVPJWEOJN-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001576334650 1273153224 /nfs/dbraw/zinc/15/32/24/1273153224.db2.gz XXQQUNVPJWEOJN-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001576479836 1273318266 /nfs/dbraw/zinc/31/82/66/1273318266.db2.gz LPWGOFCWTPMDDQ-QGZVFWFLSA-N 2 2 363.510 0.255 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001576479836 1273318277 /nfs/dbraw/zinc/31/82/77/1273318277.db2.gz LPWGOFCWTPMDDQ-QGZVFWFLSA-N 2 2 363.510 0.255 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@H](CN(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576491252 1273345316 /nfs/dbraw/zinc/34/53/16/1273345316.db2.gz WECJTCVBMMUXML-HIFRSBDPSA-N 2 2 372.477 0.887 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499609 1273362374 /nfs/dbraw/zinc/36/23/74/1273362374.db2.gz LUWFODKZSCQCKV-JKSUJKDBSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001576499609 1273362384 /nfs/dbraw/zinc/36/23/84/1273362384.db2.gz LUWFODKZSCQCKV-JKSUJKDBSA-N 2 2 357.462 0.897 20 0 FCADLP CC[C@@H](C(=O)NCC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501811 1273367173 /nfs/dbraw/zinc/36/71/73/1273367173.db2.gz YMMVGSQYCNUIEH-HIFRSBDPSA-N 2 2 372.477 0.935 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001576521969 1273407385 /nfs/dbraw/zinc/40/73/85/1273407385.db2.gz MPTTVZXHWSKUHP-CABCVRRESA-N 2 2 356.446 0.192 20 0 FCADLP CC[C@H](C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576522490 1273410969 /nfs/dbraw/zinc/41/09/69/1273410969.db2.gz WAVOQDJSPAKXHY-CXAGYDPISA-N 2 2 358.450 0.687 20 0 FCADLP CN(CC(C)(C)C[NH2+]Cc1c[nH]nn1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001576749241 1273620101 /nfs/dbraw/zinc/62/01/01/1273620101.db2.gz BMNLTILJJQAVTL-UHFFFAOYSA-N 2 2 362.482 0.451 20 0 FCADLP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791628 1273691070 /nfs/dbraw/zinc/69/10/70/1273691070.db2.gz PWPZNBDFHZSKBH-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576791628 1273691079 /nfs/dbraw/zinc/69/10/79/1273691079.db2.gz PWPZNBDFHZSKBH-SWLSCSKDSA-N 2 2 358.450 0.475 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC001576807845 1273721870 /nfs/dbraw/zinc/72/18/70/1273721870.db2.gz WKXZCIIUZBONEN-ZIAGYGMSSA-N 2 2 358.483 0.326 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C)[C@H](C)CO1 ZINC001576807845 1273721874 /nfs/dbraw/zinc/72/18/74/1273721874.db2.gz WKXZCIIUZBONEN-ZIAGYGMSSA-N 2 2 358.483 0.326 20 0 FCADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576812126 1273724689 /nfs/dbraw/zinc/72/46/89/1273724689.db2.gz IOEVITZYYKDLGD-ZDUSSCGKSA-N 2 2 369.433 0.586 20 0 FCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001576835318 1273765093 /nfs/dbraw/zinc/76/50/93/1273765093.db2.gz LPYRVVIZDDIIPC-LLVKDONJSA-N 2 2 355.406 0.265 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576835854 1273765959 /nfs/dbraw/zinc/76/59/59/1273765959.db2.gz SZCCSFOMXSUSLS-AWEZNQCLSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCSCC1 ZINC001576862846 1273825324 /nfs/dbraw/zinc/82/53/24/1273825324.db2.gz WJNMEPVATSLCBZ-GJZGRUSLSA-N 2 2 366.535 0.977 20 0 FCADLP C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCSCC1 ZINC001576862846 1273825332 /nfs/dbraw/zinc/82/53/32/1273825332.db2.gz WJNMEPVATSLCBZ-GJZGRUSLSA-N 2 2 366.535 0.977 20 0 FCADLP C[NH+]1CCC(OCC(=O)NC2(C[NH2+]Cc3c[nH]nn3)CCCCC2)CC1 ZINC001576884116 1273867903 /nfs/dbraw/zinc/86/79/03/1273867903.db2.gz RCAOFOBOSCNLHB-UHFFFAOYSA-N 2 2 364.494 0.824 20 0 FCADLP C[NH+]1CCC(OCC(=O)NC2(C[NH2+]Cc3cn[nH]n3)CCCCC2)CC1 ZINC001576884116 1273867908 /nfs/dbraw/zinc/86/79/08/1273867908.db2.gz RCAOFOBOSCNLHB-UHFFFAOYSA-N 2 2 364.494 0.824 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001577040065 1274104326 /nfs/dbraw/zinc/10/43/26/1274104326.db2.gz CLMJTQSCSJFCHU-IAGOWNOFSA-N 2 2 369.429 0.433 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001577040065 1274104329 /nfs/dbraw/zinc/10/43/29/1274104329.db2.gz CLMJTQSCSJFCHU-IAGOWNOFSA-N 2 2 369.429 0.433 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001577040065 1274104332 /nfs/dbraw/zinc/10/43/32/1274104332.db2.gz CLMJTQSCSJFCHU-IAGOWNOFSA-N 2 2 369.429 0.433 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001577040065 1274104339 /nfs/dbraw/zinc/10/43/39/1274104339.db2.gz CLMJTQSCSJFCHU-IAGOWNOFSA-N 2 2 369.429 0.433 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC001577495991 1274453940 /nfs/dbraw/zinc/45/39/40/1274453940.db2.gz HTVXRNPOZFYWMI-HRCADAONSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCc3cn[nH]n3)C[C@@H]2C1 ZINC001577495991 1274453941 /nfs/dbraw/zinc/45/39/41/1274453941.db2.gz HTVXRNPOZFYWMI-HRCADAONSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC001577495991 1274453943 /nfs/dbraw/zinc/45/39/43/1274453943.db2.gz HTVXRNPOZFYWMI-HRCADAONSA-N 2 2 357.462 0.769 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@@H]2C1 ZINC001577495991 1274453949 /nfs/dbraw/zinc/45/39/49/1274453949.db2.gz HTVXRNPOZFYWMI-HRCADAONSA-N 2 2 357.462 0.769 20 0 FCADLP CCC[N@H+](C)CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577550287 1274489785 /nfs/dbraw/zinc/48/97/85/1274489785.db2.gz CHWRLBOZTBCLCQ-UHFFFAOYSA-N 2 2 360.466 0.888 20 0 FCADLP CCC[N@@H+](C)CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577550287 1274489789 /nfs/dbraw/zinc/48/97/89/1274489789.db2.gz CHWRLBOZTBCLCQ-UHFFFAOYSA-N 2 2 360.466 0.888 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577561168 1274509905 /nfs/dbraw/zinc/50/99/05/1274509905.db2.gz RNTHOTXFMMZYRF-ZDUSSCGKSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577561168 1274509906 /nfs/dbraw/zinc/50/99/06/1274509906.db2.gz RNTHOTXFMMZYRF-ZDUSSCGKSA-N 2 2 358.450 0.689 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCOCCC[NH2+]Cc1cnn[nH]1)CC2 ZINC001577572389 1274535097 /nfs/dbraw/zinc/53/50/97/1274535097.db2.gz TUTUJJHMDRTRSO-AWEZNQCLSA-N 2 2 361.450 0.185 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001577767204 1274850309 /nfs/dbraw/zinc/85/03/09/1274850309.db2.gz HTHIPJUNHRTHSS-VQIMIIECSA-N 3 2 352.523 0.901 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(C)C[C@H]([NH3+])CCO3)CC2)CC1 ZINC001577767204 1274850320 /nfs/dbraw/zinc/85/03/20/1274850320.db2.gz HTHIPJUNHRTHSS-VQIMIIECSA-N 3 2 352.523 0.901 20 0 FCADLP O=C(NC[C@H]([NH2+]Cc1cnn[nH]1)C1CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001577987504 1275227147 /nfs/dbraw/zinc/22/71/47/1275227147.db2.gz AOBVHLAMCBFNMK-INIZCTEOSA-N 2 2 352.402 0.684 20 0 FCADLP CCN(CCNC(=O)CCn1cc[nH+]c1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001577994485 1275246254 /nfs/dbraw/zinc/24/62/54/1275246254.db2.gz YXXXGBOUFGEEBF-UHFFFAOYSA-N 2 2 355.406 0.491 20 0 FCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578038250 1275318108 /nfs/dbraw/zinc/31/81/08/1275318108.db2.gz RVSQYIWLLJFNRH-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001578038250 1275318115 /nfs/dbraw/zinc/31/81/15/1275318115.db2.gz RVSQYIWLLJFNRH-UHFFFAOYSA-N 2 2 372.408 0.910 20 0 FCADLP CCN(CCNc1cc(C)[nH+]cc1-c1nn[nH]n1)C(=O)Cc1[nH]c[nH+]c1C ZINC001578110049 1275412293 /nfs/dbraw/zinc/41/22/93/1275412293.db2.gz SVAUMESAAJGJLP-UHFFFAOYSA-N 2 2 369.433 0.527 20 0 FCADLP CCOCCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001578115673 1275416946 /nfs/dbraw/zinc/41/69/46/1275416946.db2.gz SJXBEBMUIQDZGV-HRCADAONSA-N 2 2 366.510 0.676 20 0 FCADLP CCN(CCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001578136475 1275434896 /nfs/dbraw/zinc/43/48/96/1275434896.db2.gz QZVSRCKVBGZXCH-CYBMUJFWSA-N 2 2 369.433 0.792 20 0 FCADLP CC[C@@H](C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001578418013 1275785608 /nfs/dbraw/zinc/78/56/08/1275785608.db2.gz XENAUKFUSDIXEZ-JSGCOSHPSA-N 2 2 358.450 0.639 20 0 FCADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CC1([NH3+])COC1 ZINC001578473393 1275886492 /nfs/dbraw/zinc/88/64/92/1275886492.db2.gz OGAJBVUOVJEEGR-UHFFFAOYSA-N 2 2 372.473 0.441 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001578524250 1275958030 /nfs/dbraw/zinc/95/80/30/1275958030.db2.gz CANAKPXTURPFKE-KZNAEPCWSA-N 3 2 352.523 0.770 20 0 FCADLP CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001578524250 1275958036 /nfs/dbraw/zinc/95/80/36/1275958036.db2.gz CANAKPXTURPFKE-KZNAEPCWSA-N 3 2 352.523 0.770 20 0 FCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529449 1275958942 /nfs/dbraw/zinc/95/89/42/1275958942.db2.gz VCXYBKIZVHTCRQ-HBUWYVDXSA-N 2 2 353.463 0.382 20 0 FCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001578529449 1275958947 /nfs/dbraw/zinc/95/89/47/1275958947.db2.gz VCXYBKIZVHTCRQ-HBUWYVDXSA-N 2 2 353.463 0.382 20 0 FCADLP C[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532551 1275964015 /nfs/dbraw/zinc/96/40/15/1275964015.db2.gz LLLRPRCQAJZMGI-KBPBESRZSA-N 2 2 356.467 0.032 20 0 FCADLP C[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532551 1275964018 /nfs/dbraw/zinc/96/40/18/1275964018.db2.gz LLLRPRCQAJZMGI-KBPBESRZSA-N 2 2 356.467 0.032 20 0 FCADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539847 1275968195 /nfs/dbraw/zinc/96/81/95/1275968195.db2.gz GWOPDAFPWOVMQH-ARFHVFGLSA-N 2 2 353.850 0.816 20 0 FCADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC001578539847 1275968198 /nfs/dbraw/zinc/96/81/98/1275968198.db2.gz GWOPDAFPWOVMQH-ARFHVFGLSA-N 2 2 353.850 0.816 20 0 FCADLP C[NH2+][C@H](C)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001578577627 1276010394 /nfs/dbraw/zinc/01/03/94/1276010394.db2.gz YDTMMTYXYNRDNM-OAHLLOKOSA-N 2 2 359.478 0.716 20 0 FCADLP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001580829971 1279008328 /nfs/dbraw/zinc/00/83/28/1279008328.db2.gz YCLVRLYQYLTJBP-INIZCTEOSA-N 2 2 354.458 0.882 20 0 FCADLP C[NH2+]CCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578704901 1276172515 /nfs/dbraw/zinc/17/25/15/1276172515.db2.gz IUPLMDFNRJTGHM-AWEZNQCLSA-N 2 2 355.483 0.542 20 0 FCADLP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001578846538 1276367867 /nfs/dbraw/zinc/36/78/67/1276367867.db2.gz DMLDUJDCYQMEGD-UHFFFAOYSA-N 2 2 369.473 0.994 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578887189 1276421345 /nfs/dbraw/zinc/42/13/45/1276421345.db2.gz WXRVQDOQBGUBRL-HNNXBMFYSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001578887189 1276421351 /nfs/dbraw/zinc/42/13/51/1276421351.db2.gz WXRVQDOQBGUBRL-HNNXBMFYSA-N 2 2 366.429 0.796 20 0 FCADLP COC1(C)CN(c2nnc([C@@H]3CCC[NH2+]3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001578925530 1276466252 /nfs/dbraw/zinc/46/62/52/1276466252.db2.gz LIURHCKSTBDKMT-CABCVRRESA-N 2 2 364.494 0.648 20 0 FCADLP COC[C@]1(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC[NH2+]C1 ZINC001578976008 1276525943 /nfs/dbraw/zinc/52/59/43/1276525943.db2.gz XZQVBLSLFXTATL-SFHVURJKSA-N 2 2 355.479 0.535 20 0 FCADLP C[NH+](C)CCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001578983298 1276547513 /nfs/dbraw/zinc/54/75/13/1276547513.db2.gz GXHMWDLBEFCXQH-UHFFFAOYSA-N 2 2 357.462 0.853 20 0 FCADLP CN(CCNC(=O)c1cc(C[NH+](C)C)on1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001578993026 1276567399 /nfs/dbraw/zinc/56/73/99/1276567399.db2.gz SUIGKLLGZWKZEV-UHFFFAOYSA-N 2 2 371.405 0.178 20 0 FCADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579260464 1277055304 /nfs/dbraw/zinc/05/53/04/1277055304.db2.gz FIQBILYYRKTENO-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001579260464 1277055305 /nfs/dbraw/zinc/05/53/05/1277055305.db2.gz FIQBILYYRKTENO-HNNXBMFYSA-N 2 2 366.429 0.865 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001579281411 1277097994 /nfs/dbraw/zinc/09/79/94/1277097994.db2.gz CBQYYZQOVDWIFH-CYBMUJFWSA-N 2 2 367.417 0.586 20 0 FCADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001579281374 1277098153 /nfs/dbraw/zinc/09/81/53/1277098153.db2.gz BFUZPTRJZAEUDI-CYBMUJFWSA-N 2 2 370.461 0.783 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335413 1277176480 /nfs/dbraw/zinc/17/64/80/1277176480.db2.gz QMVREIAFPPJCGA-DOMZBBRYSA-N 2 2 373.436 0.648 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335413 1277176486 /nfs/dbraw/zinc/17/64/86/1277176486.db2.gz QMVREIAFPPJCGA-DOMZBBRYSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335413 1277176489 /nfs/dbraw/zinc/17/64/89/1277176489.db2.gz QMVREIAFPPJCGA-DOMZBBRYSA-N 2 2 373.436 0.648 20 0 FCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001579335413 1277176491 /nfs/dbraw/zinc/17/64/91/1277176491.db2.gz QMVREIAFPPJCGA-DOMZBBRYSA-N 2 2 373.436 0.648 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001579339671 1277183332 /nfs/dbraw/zinc/18/33/32/1277183332.db2.gz HZHPMHLYTHMXKE-HIFRSBDPSA-N 2 2 358.508 0.031 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579342804 1277192808 /nfs/dbraw/zinc/19/28/08/1277192808.db2.gz DOQFTVXFOQJTNC-AWEZNQCLSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001579342804 1277192813 /nfs/dbraw/zinc/19/28/13/1277192813.db2.gz DOQFTVXFOQJTNC-AWEZNQCLSA-N 2 2 355.446 0.509 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353262 1277211933 /nfs/dbraw/zinc/21/19/33/1277211933.db2.gz HHKQBSPMRBVWSG-OAHLLOKOSA-N 2 2 356.434 0.395 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001579353262 1277211936 /nfs/dbraw/zinc/21/19/36/1277211936.db2.gz HHKQBSPMRBVWSG-OAHLLOKOSA-N 2 2 356.434 0.395 20 0 FCADLP C[S@](=O)C1(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001579354636 1277217257 /nfs/dbraw/zinc/21/72/57/1277217257.db2.gz LMUQVBRIXJMVRJ-OWJWWREXSA-N 2 2 353.463 0.799 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356584 1277222522 /nfs/dbraw/zinc/22/25/22/1277222522.db2.gz LSTVLVFBNXFPKC-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356584 1277222526 /nfs/dbraw/zinc/22/25/26/1277222526.db2.gz LSTVLVFBNXFPKC-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356584 1277222531 /nfs/dbraw/zinc/22/25/31/1277222531.db2.gz LSTVLVFBNXFPKC-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579356584 1277222535 /nfs/dbraw/zinc/22/25/35/1277222535.db2.gz LSTVLVFBNXFPKC-YESZJQIVSA-N 2 2 367.457 0.746 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360211 1277233219 /nfs/dbraw/zinc/23/32/19/1277233219.db2.gz HBYWDLBVFFJIRP-SHPPOPEUSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579360211 1277233223 /nfs/dbraw/zinc/23/32/23/1277233223.db2.gz HBYWDLBVFFJIRP-SHPPOPEUSA-N 2 2 368.445 0.582 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366615 1277247336 /nfs/dbraw/zinc/24/73/36/1277247336.db2.gz ZJSRIHOGTVIKPX-SWLSCSKDSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579366615 1277247338 /nfs/dbraw/zinc/24/73/38/1277247338.db2.gz ZJSRIHOGTVIKPX-SWLSCSKDSA-N 2 2 356.434 0.181 20 0 FCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381317 1277258559 /nfs/dbraw/zinc/25/85/59/1277258559.db2.gz FOTGTFBCBIHHFG-LBTNJELSSA-N 2 2 358.446 0.490 20 0 FCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381317 1277258567 /nfs/dbraw/zinc/25/85/67/1277258567.db2.gz FOTGTFBCBIHHFG-LBTNJELSSA-N 2 2 358.446 0.490 20 0 FCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381317 1277258578 /nfs/dbraw/zinc/25/85/78/1277258578.db2.gz FOTGTFBCBIHHFG-LBTNJELSSA-N 2 2 358.446 0.490 20 0 FCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3-c3nn[nH]n3)C[C@]2(C)C1 ZINC001579381317 1277258584 /nfs/dbraw/zinc/25/85/84/1277258584.db2.gz FOTGTFBCBIHHFG-LBTNJELSSA-N 2 2 358.446 0.490 20 0 FCADLP C[C@]12C[N@H+](Cc3ccc(N4CC[NH2+]CC4)o3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001579474077 1277378831 /nfs/dbraw/zinc/37/88/31/1277378831.db2.gz OTINBWUCUZJOIC-CALCHBBNSA-N 2 2 353.488 0.946 20 0 FCADLP C[C@]12C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)o3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001579474077 1277378842 /nfs/dbraw/zinc/37/88/42/1277378842.db2.gz OTINBWUCUZJOIC-CALCHBBNSA-N 2 2 353.488 0.946 20 0 FCADLP CCc1nocc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713807341 1287301031 /nfs/dbraw/zinc/30/10/31/1287301031.db2.gz ZPQXPAMPPSMTIG-NVXWUHKLSA-N 2 2 363.506 0.811 20 0 FCADLP CCc1nocc1C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001713807341 1287301036 /nfs/dbraw/zinc/30/10/36/1287301036.db2.gz ZPQXPAMPPSMTIG-NVXWUHKLSA-N 2 2 363.506 0.811 20 0 FCADLP Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc3c(n2)C[NH2+]CC3)cc[nH+]1 ZINC001579880754 1277947155 /nfs/dbraw/zinc/94/71/55/1277947155.db2.gz VOAJXVLHIQHYOX-WMLDXEAASA-N 2 2 368.441 0.825 20 0 FCADLP Cc1cc(N2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580956344 1279160182 /nfs/dbraw/zinc/16/01/82/1279160182.db2.gz JSIOQEIBERYWLF-ZDUSSCGKSA-N 2 2 367.417 0.409 20 0 FCADLP Cc1cc(N[C@@H](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580987265 1279184075 /nfs/dbraw/zinc/18/40/75/1279184075.db2.gz HTMCLWXVYSGWEU-RYUDHWBXSA-N 2 2 369.433 0.653 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580994544 1279200848 /nfs/dbraw/zinc/20/08/48/1279200848.db2.gz OKGFLFSFGOJIFB-LBPRGKRZSA-N 2 2 369.433 0.456 20 0 FCADLP Cc1cc(N[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580996142 1279207937 /nfs/dbraw/zinc/20/79/37/1279207937.db2.gz VZUSEVAZRROJMZ-QWHCGFSZSA-N 2 2 369.433 0.756 20 0 FCADLP Cc1cc(NC2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581003887 1279221231 /nfs/dbraw/zinc/22/12/31/1279221231.db2.gz ZDYVWCJOANLFDK-UHFFFAOYSA-N 2 2 367.417 0.359 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581028471 1279265199 /nfs/dbraw/zinc/26/51/99/1279265199.db2.gz ZIEMMEGLRQVFID-UHFFFAOYSA-N 2 2 355.406 0.067 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001581030760 1279268538 /nfs/dbraw/zinc/26/85/38/1279268538.db2.gz MIQORRFTGJNORK-LLVKDONJSA-N 2 2 355.406 0.114 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338971 1279720643 /nfs/dbraw/zinc/72/06/43/1279720643.db2.gz XSLKVTLSHZPSDM-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338971 1279720653 /nfs/dbraw/zinc/72/06/53/1279720653.db2.gz XSLKVTLSHZPSDM-INIZCTEOSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339560 1279722833 /nfs/dbraw/zinc/72/28/33/1279722833.db2.gz HKMWVOHGSDLKGU-NSHDSACASA-N 2 2 355.406 0.408 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581562071 1280135185 /nfs/dbraw/zinc/13/51/85/1280135185.db2.gz HRYUFDIKBUIGOH-CYBMUJFWSA-N 2 2 367.417 0.504 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001581563447 1280139849 /nfs/dbraw/zinc/13/98/49/1280139849.db2.gz MSRKHQAIYWAADN-LLVKDONJSA-N 2 2 372.408 0.805 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C ZINC001581563716 1280140818 /nfs/dbraw/zinc/14/08/18/1280140818.db2.gz LILFILDPUDODMF-SMDDNHRTSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581564655 1280143540 /nfs/dbraw/zinc/14/35/40/1280143540.db2.gz UNVHKMAJJYNDRL-NSHDSACASA-N 2 2 355.406 0.195 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581565498 1280145228 /nfs/dbraw/zinc/14/52/28/1280145228.db2.gz VENBOXQOEOXWQX-UHFFFAOYSA-N 2 2 354.418 0.620 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581565498 1280145231 /nfs/dbraw/zinc/14/52/31/1280145231.db2.gz VENBOXQOEOXWQX-UHFFFAOYSA-N 2 2 354.418 0.620 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCc2cc(-c3nn[nH]n3)ccc21 ZINC001603591188 1287430617 /nfs/dbraw/zinc/43/06/17/1287430617.db2.gz ZEBBUSYIGOLRTH-NHYWBVRUSA-N 2 2 352.402 0.455 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581815077 1280560361 /nfs/dbraw/zinc/56/03/61/1280560361.db2.gz QTPGJZSIWBNONP-UHFFFAOYSA-N 2 2 358.381 0.188 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581815837 1280560869 /nfs/dbraw/zinc/56/08/69/1280560869.db2.gz LFVHBPODAICNDY-CQSZACIVSA-N 2 2 366.429 0.533 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001581815837 1280560879 /nfs/dbraw/zinc/56/08/79/1280560879.db2.gz LFVHBPODAICNDY-CQSZACIVSA-N 2 2 366.429 0.533 20 0 FCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001603614488 1287443442 /nfs/dbraw/zinc/44/34/42/1287443442.db2.gz TXTNJDLULMNYTM-QWHCGFSZSA-N 2 2 369.433 0.666 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001582089086 1281041341 /nfs/dbraw/zinc/04/13/41/1281041341.db2.gz SZMOJMUSAVJRPG-UHFFFAOYSA-N 2 2 366.429 0.892 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582088837 1281042436 /nfs/dbraw/zinc/04/24/36/1281042436.db2.gz LKZOTFKSQFEJGL-UHFFFAOYSA-N 2 2 353.390 0.031 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582089061 1281042893 /nfs/dbraw/zinc/04/28/93/1281042893.db2.gz SHFPVDICJUQWSJ-ZDUSSCGKSA-N 2 2 367.417 0.373 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582089204 1281044756 /nfs/dbraw/zinc/04/47/56/1281044756.db2.gz YGUGPJLIAVMPSS-UHFFFAOYSA-N 2 2 366.429 0.892 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582089700 1281046662 /nfs/dbraw/zinc/04/66/62/1281046662.db2.gz VAVVJDCOFFOQNX-CYBMUJFWSA-N 2 2 367.417 0.231 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582089701 1281046725 /nfs/dbraw/zinc/04/67/25/1281046725.db2.gz VAVVJDCOFFOQNX-ZDUSSCGKSA-N 2 2 367.417 0.231 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582090409 1281047019 /nfs/dbraw/zinc/04/70/19/1281047019.db2.gz RUYKXMGVWKHCOI-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582090409 1281047027 /nfs/dbraw/zinc/04/70/27/1281047027.db2.gz RUYKXMGVWKHCOI-HNNXBMFYSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582099050 1281054835 /nfs/dbraw/zinc/05/48/35/1281054835.db2.gz HPFNSZRGKGXZRJ-MRXNPFEDSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582099050 1281054840 /nfs/dbraw/zinc/05/48/40/1281054840.db2.gz HPFNSZRGKGXZRJ-MRXNPFEDSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582100808 1281057879 /nfs/dbraw/zinc/05/78/79/1281057879.db2.gz PFYBTKQWQLVYIN-AWEZNQCLSA-N 2 2 370.461 0.690 20 0 FCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582101006 1281058062 /nfs/dbraw/zinc/05/80/62/1281058062.db2.gz ZAYFFIAVJXKSTH-CYBMUJFWSA-N 2 2 356.434 0.300 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001582169057 1281133654 /nfs/dbraw/zinc/13/36/54/1281133654.db2.gz BGUDRNIWPBRIKR-MRXNPFEDSA-N 2 2 366.429 0.817 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171590 1281141167 /nfs/dbraw/zinc/14/11/67/1281141167.db2.gz RORQJKBCUJYENY-CYBMUJFWSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582171590 1281141169 /nfs/dbraw/zinc/14/11/69/1281141169.db2.gz RORQJKBCUJYENY-CYBMUJFWSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001582171684 1281141357 /nfs/dbraw/zinc/14/13/57/1281141357.db2.gz WBWNOPCUBGALPC-UHFFFAOYSA-N 2 2 358.381 0.568 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001582182632 1281159699 /nfs/dbraw/zinc/15/96/99/1281159699.db2.gz LDEBDORWPSWLRJ-CYBMUJFWSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582183636 1281162652 /nfs/dbraw/zinc/16/26/52/1281162652.db2.gz ABESQIOFDRVTBH-OKILXGFUSA-N 2 2 352.402 0.569 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582195147 1281175368 /nfs/dbraw/zinc/17/53/68/1281175368.db2.gz MULKVAMXRBBWRC-ZDUSSCGKSA-N 2 2 367.417 0.231 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001582196423 1281176169 /nfs/dbraw/zinc/17/61/69/1281176169.db2.gz JTWKWMDAGCDYOM-UHFFFAOYSA-N 2 2 353.390 0.243 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582195341 1281176185 /nfs/dbraw/zinc/17/61/85/1281176185.db2.gz VTMYRUGSCHJFJB-OAHLLOKOSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001582195340 1281176708 /nfs/dbraw/zinc/17/67/08/1281176708.db2.gz VTMYRUGSCHJFJB-HNNXBMFYSA-N 2 2 352.402 0.454 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582196959 1281180540 /nfs/dbraw/zinc/18/05/40/1281180540.db2.gz YWCXCEWGVNSOCQ-QWHCGFSZSA-N 2 2 367.417 0.420 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197752 1281181722 /nfs/dbraw/zinc/18/17/22/1281181722.db2.gz XKNPYESNJXYEER-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001582197752 1281181724 /nfs/dbraw/zinc/18/17/24/1281181724.db2.gz XKNPYESNJXYEER-MRXNPFEDSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582197527 1281182092 /nfs/dbraw/zinc/18/20/92/1281182092.db2.gz SHPVUCOUYDLKQI-KYOSRNDESA-N 2 2 365.401 0.384 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582198123 1281184343 /nfs/dbraw/zinc/18/43/43/1281184343.db2.gz MWMYAIBGYBXQSD-PHIMTYICSA-N 2 2 358.431 0.562 20 0 FCADLP O=C(NC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001582333828 1281368792 /nfs/dbraw/zinc/36/87/92/1281368792.db2.gz RGVSABLEHSGXAB-QGZVFWFLSA-N 2 2 367.457 0.509 20 0 FCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001603789521 1287498664 /nfs/dbraw/zinc/49/86/64/1287498664.db2.gz NZXUPBPYAWBCRN-INIZCTEOSA-N 2 2 369.473 0.945 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810915 1282033953 /nfs/dbraw/zinc/03/39/53/1282033953.db2.gz WCXCGNZEWRYXDN-SJORKVTESA-N 2 2 358.446 0.431 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC001582810915 1282033960 /nfs/dbraw/zinc/03/39/60/1282033960.db2.gz WCXCGNZEWRYXDN-SJORKVTESA-N 2 2 358.446 0.431 20 0 FCADLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)Cn1cc[nH+]c1 ZINC001589869454 1283102952 /nfs/dbraw/zinc/10/29/52/1283102952.db2.gz GXBFVMXCLRISGK-DZGCQCFKSA-N 2 2 357.418 0.729 20 0 FCADLP C[C@H]1[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001590175074 1283280507 /nfs/dbraw/zinc/28/05/07/1283280507.db2.gz JEMGCRTWHUIBOS-GXTWGEPZSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001590175076 1283280999 /nfs/dbraw/zinc/28/09/99/1283280999.db2.gz JEMGCRTWHUIBOS-OCCSQVGLSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590309820 1283455533 /nfs/dbraw/zinc/45/55/33/1283455533.db2.gz ZMBIRTKAZNEJDD-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001590309820 1283455537 /nfs/dbraw/zinc/45/55/37/1283455537.db2.gz ZMBIRTKAZNEJDD-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001682613316 1283718587 /nfs/dbraw/zinc/71/85/87/1283718587.db2.gz YGUYHZRVBPZJSU-MRXNPFEDSA-N 2 2 364.494 0.367 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001683250096 1283910684 /nfs/dbraw/zinc/91/06/84/1283910684.db2.gz BGDODEFITIPVDI-NUEKZKHPSA-N 2 2 363.462 0.026 20 0 FCADLP CO[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001683250096 1283910692 /nfs/dbraw/zinc/91/06/92/1283910692.db2.gz BGDODEFITIPVDI-NUEKZKHPSA-N 2 2 363.462 0.026 20 0 FCADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2-c2nn[nH]n2)C1(C)C ZINC001591010239 1284069749 /nfs/dbraw/zinc/06/97/49/1284069749.db2.gz UJBPJMMOBAAGNH-VBNZEHGJSA-N 2 2 360.462 0.925 20 0 FCADLP CN(CC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001591101556 1284169244 /nfs/dbraw/zinc/16/92/44/1284169244.db2.gz MFHOBSAUJLRBRT-UHFFFAOYSA-N 2 2 358.381 0.520 20 0 FCADLP CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001591134209 1284206952 /nfs/dbraw/zinc/20/69/52/1284206952.db2.gz RCPHNBURYMAFAK-UHFFFAOYSA-N 2 2 358.450 0.431 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001591179898 1284279038 /nfs/dbraw/zinc/27/90/38/1284279038.db2.gz ZSDNWAOWNNVKPD-UHFFFAOYSA-N 2 2 373.465 0.751 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001591179898 1284279043 /nfs/dbraw/zinc/27/90/43/1284279043.db2.gz ZSDNWAOWNNVKPD-UHFFFAOYSA-N 2 2 373.465 0.751 20 0 FCADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1-c1nn[nH]n1 ZINC001591217250 1284354409 /nfs/dbraw/zinc/35/44/09/1284354409.db2.gz JAHNHXCOZWCYMX-SNVBAGLBSA-N 2 2 370.421 0.139 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1-c1nn[nH]n1 ZINC001591966665 1285032745 /nfs/dbraw/zinc/03/27/45/1285032745.db2.gz BCXMBURXONLHCE-QGZVFWFLSA-N 2 2 371.489 0.671 20 0 FCADLP Cc1cc(N(C)CCCNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001591996379 1285050955 /nfs/dbraw/zinc/05/09/55/1285050955.db2.gz JOMHHMNBAABFTG-UHFFFAOYSA-N 2 2 369.433 0.489 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC/C=C/CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001592048119 1285093490 /nfs/dbraw/zinc/09/34/90/1285093490.db2.gz ZUJNBBHLSBFZND-ONEGZZNKSA-N 2 2 367.417 0.281 20 0 FCADLP Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CCC[N@H+](CC(N)=O)CC3)c2c1 ZINC001592207921 1285178918 /nfs/dbraw/zinc/17/89/18/1285178918.db2.gz RBAZPDUKWUVSPJ-UHFFFAOYSA-N 2 2 366.429 0.721 20 0 FCADLP Cc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CCC[N@@H+](CC(N)=O)CC3)c2c1 ZINC001592207921 1285178923 /nfs/dbraw/zinc/17/89/23/1285178923.db2.gz RBAZPDUKWUVSPJ-UHFFFAOYSA-N 2 2 366.429 0.721 20 0 FCADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001592241979 1285197499 /nfs/dbraw/zinc/19/74/99/1285197499.db2.gz LTQLZBJBHRVTBF-CYBMUJFWSA-N 2 2 351.414 0.979 20 0 FCADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001592241979 1285197503 /nfs/dbraw/zinc/19/75/03/1285197503.db2.gz LTQLZBJBHRVTBF-CYBMUJFWSA-N 2 2 351.414 0.979 20 0 FCADLP Cc1nsc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1-c1nn[nH]n1 ZINC001592484152 1285420424 /nfs/dbraw/zinc/42/04/24/1285420424.db2.gz YPFPOEQANAVYLS-UHFFFAOYSA-N 2 2 367.483 0.637 20 0 FCADLP Cc1nsc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1-c1nn[nH]n1 ZINC001592484152 1285420427 /nfs/dbraw/zinc/42/04/27/1285420427.db2.gz YPFPOEQANAVYLS-UHFFFAOYSA-N 2 2 367.483 0.637 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC/C=C/CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001592860096 1285763108 /nfs/dbraw/zinc/76/31/08/1285763108.db2.gz BZMYUYPECUDLHF-OWOJBTEDSA-N 2 2 353.390 0.055 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507278 1286186487 /nfs/dbraw/zinc/18/64/87/1286186487.db2.gz ZHXBGYTWCWXWRE-HYVNUMGLSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)COc1ccc(-c2nn[nH]n2)cc1 ZINC001593507278 1286186491 /nfs/dbraw/zinc/18/64/91/1286186491.db2.gz ZHXBGYTWCWXWRE-HYVNUMGLSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518654 1286189718 /nfs/dbraw/zinc/18/97/18/1286189718.db2.gz BRZIGIAVBMETJA-SJORKVTESA-N 2 2 358.446 0.431 20 0 FCADLP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518654 1286189722 /nfs/dbraw/zinc/18/97/22/1286189722.db2.gz BRZIGIAVBMETJA-SJORKVTESA-N 2 2 358.446 0.431 20 0 FCADLP c1ccc(C[N@@H+]2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001593574678 1286203078 /nfs/dbraw/zinc/20/30/78/1286203078.db2.gz ZBYZHBSXQILHDX-HNNXBMFYSA-N 2 2 351.414 0.997 20 0 FCADLP c1ccc(C[N@H+]2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cc1 ZINC001593574678 1286203087 /nfs/dbraw/zinc/20/30/87/1286203087.db2.gz ZBYZHBSXQILHDX-HNNXBMFYSA-N 2 2 351.414 0.997 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001704278829 1286211999 /nfs/dbraw/zinc/21/19/99/1286211999.db2.gz POFAYHUMZWMGDG-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001704278829 1286212002 /nfs/dbraw/zinc/21/20/02/1286212002.db2.gz POFAYHUMZWMGDG-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001704527082 1286261092 /nfs/dbraw/zinc/26/10/92/1286261092.db2.gz OXSCYTAEEVEIJI-HZPDHXFCSA-N 2 2 359.474 0.727 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC001704887294 1286315770 /nfs/dbraw/zinc/31/57/70/1286315770.db2.gz KUJGWNASQFQILF-OWCLPIDISA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC001704887294 1286315785 /nfs/dbraw/zinc/31/57/85/1286315785.db2.gz KUJGWNASQFQILF-OWCLPIDISA-N 2 2 361.490 0.703 20 0 FCADLP Cc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001609388539 1289133022 /nfs/dbraw/zinc/13/30/22/1289133022.db2.gz ZCSREZHCXUAVJF-QGZVFWFLSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001609388539 1289133025 /nfs/dbraw/zinc/13/30/25/1289133025.db2.gz ZCSREZHCXUAVJF-QGZVFWFLSA-N 2 2 369.473 0.914 20 0 FCADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC(O)(C[NH+]3CCOCC3)CC2)[nH+]1 ZINC001609396419 1289137228 /nfs/dbraw/zinc/13/72/28/1289137228.db2.gz RFQAYQZNGPHBBI-UHFFFAOYSA-N 2 2 373.461 0.542 20 0 FCADLP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(NCC[N@@H+]3CC[C@H](O)C3)c2c1 ZINC001605311102 1287924151 /nfs/dbraw/zinc/92/41/51/1287924151.db2.gz GNGSAGYDGKZSJC-NSHDSACASA-N 2 2 355.402 0.324 20 0 FCADLP COc1ccc2[nH+]cc(-c3nn[nH]n3)c(NCC[N@H+]3CC[C@H](O)C3)c2c1 ZINC001605311102 1287924154 /nfs/dbraw/zinc/92/41/54/1287924154.db2.gz GNGSAGYDGKZSJC-NSHDSACASA-N 2 2 355.402 0.324 20 0 FCADLP Cc1cc(N(C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)c(-c2nn[nH]n2)c[nH+]1 ZINC001605687573 1288051818 /nfs/dbraw/zinc/05/18/18/1288051818.db2.gz QHKJHWBFHRCMPV-LBPRGKRZSA-N 2 2 355.406 0.408 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)Cn1cc[nH+]c1C ZINC001721173025 1288306883 /nfs/dbraw/zinc/30/68/83/1288306883.db2.gz NUGCLBICMFQORS-HUUCEWRRSA-N 2 2 358.446 0.693 20 0 FCADLP [NH3+]CCCOCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606437118 1288316401 /nfs/dbraw/zinc/31/64/01/1288316401.db2.gz GVHAILLGBBASRS-UHFFFAOYSA-N 3 2 359.478 0.786 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001606614225 1288408899 /nfs/dbraw/zinc/40/88/99/1288408899.db2.gz YKMNOOGYIZSFFC-AWEZNQCLSA-N 2 2 366.429 0.771 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cnsn3)CC2)CC[N@@H+]1C ZINC001732064229 1288573136 /nfs/dbraw/zinc/57/31/36/1288573136.db2.gz ZQKINNSNADDVTQ-GDBMZVCRSA-N 2 2 366.535 0.454 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cnsn3)CC2)CC[N@H+]1C ZINC001732064229 1288573140 /nfs/dbraw/zinc/57/31/40/1288573140.db2.gz ZQKINNSNADDVTQ-GDBMZVCRSA-N 2 2 366.535 0.454 20 0 FCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)COc1ccccc1-c1nn[nH]n1 ZINC001607093813 1288657588 /nfs/dbraw/zinc/65/75/88/1288657588.db2.gz FTGVQCYIBCEOIL-CQSZACIVSA-N 2 2 357.418 0.873 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691876544 1289331763 /nfs/dbraw/zinc/33/17/63/1289331763.db2.gz FJOMGWLQZDKLCL-UXLLHSPISA-N 2 2 364.490 0.644 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001691903558 1289337489 /nfs/dbraw/zinc/33/74/89/1289337489.db2.gz GPQITOZVTNIJKG-HRCADAONSA-N 2 2 368.503 0.582 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692086661 1289393837 /nfs/dbraw/zinc/39/38/37/1289393837.db2.gz IOBVLURUEGYNFD-ZACQAIPSSA-N 2 2 361.490 0.920 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692086661 1289393847 /nfs/dbraw/zinc/39/38/47/1289393847.db2.gz IOBVLURUEGYNFD-ZACQAIPSSA-N 2 2 361.490 0.920 20 0 FCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001692232616 1289433778 /nfs/dbraw/zinc/43/37/78/1289433778.db2.gz OBSCXOQFHXCOQX-LESCRADOSA-N 2 2 361.490 0.832 20 0 FCADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)cn1 ZINC001692232616 1289433786 /nfs/dbraw/zinc/43/37/86/1289433786.db2.gz OBSCXOQFHXCOQX-LESCRADOSA-N 2 2 361.490 0.832 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001692288853 1289444619 /nfs/dbraw/zinc/44/46/19/1289444619.db2.gz CXXYYJMRABIGJT-CVEARBPZSA-N 2 2 361.490 0.957 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001692288853 1289444621 /nfs/dbraw/zinc/44/46/21/1289444621.db2.gz CXXYYJMRABIGJT-CVEARBPZSA-N 2 2 361.490 0.957 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001692368162 1289454506 /nfs/dbraw/zinc/45/45/06/1289454506.db2.gz IVHNUTJGSNGIFU-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC001692368162 1289454510 /nfs/dbraw/zinc/45/45/10/1289454510.db2.gz IVHNUTJGSNGIFU-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@H]1CCCO1 ZINC001692368162 1289454516 /nfs/dbraw/zinc/45/45/16/1289454516.db2.gz IVHNUTJGSNGIFU-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(=O)NC[C@H]1CCCO1 ZINC001692368162 1289454520 /nfs/dbraw/zinc/45/45/20/1289454520.db2.gz IVHNUTJGSNGIFU-OIISXLGYSA-N 2 2 366.506 0.345 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001699310798 1289551200 /nfs/dbraw/zinc/55/12/00/1289551200.db2.gz JDTKCGANVPVNSK-OBMMGQTPSA-N 2 2 355.442 0.685 20 0 FCADLP CCNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699889398 1289571780 /nfs/dbraw/zinc/57/17/80/1289571780.db2.gz XVCVBEXRRVMPGC-MGPQQGTHSA-N 2 2 360.449 0.536 20 0 FCADLP CCNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001699889398 1289571785 /nfs/dbraw/zinc/57/17/85/1289571785.db2.gz XVCVBEXRRVMPGC-MGPQQGTHSA-N 2 2 360.449 0.536 20 0 FCADLP CCNC(=O)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001699889398 1289571790 /nfs/dbraw/zinc/57/17/90/1289571790.db2.gz XVCVBEXRRVMPGC-MGPQQGTHSA-N 2 2 360.449 0.536 20 0 FCADLP CCNC(=O)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699889398 1289571797 /nfs/dbraw/zinc/57/17/97/1289571797.db2.gz XVCVBEXRRVMPGC-MGPQQGTHSA-N 2 2 360.449 0.536 20 0 FCADLP C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001701319504 1289650540 /nfs/dbraw/zinc/65/05/40/1289650540.db2.gz SIXGEAMDDXEPDG-FVQBIDKESA-N 2 2 361.490 0.829 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O)C1CCC1 ZINC001739639816 1290281750 /nfs/dbraw/zinc/28/17/50/1290281750.db2.gz FAUWGAKUJFTZTK-ZBFHGGJFSA-N 2 2 371.441 0.120 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O)C1CCC1 ZINC001739639816 1290281759 /nfs/dbraw/zinc/28/17/59/1290281759.db2.gz FAUWGAKUJFTZTK-ZBFHGGJFSA-N 2 2 371.441 0.120 20 0 FCADLP Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2O)c(C)[nH+]1 ZINC001739662733 1290325296 /nfs/dbraw/zinc/32/52/96/1290325296.db2.gz CMEPDHONTZAISV-CVEARBPZSA-N 2 2 362.474 0.650 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001739762133 1290404773 /nfs/dbraw/zinc/40/47/73/1290404773.db2.gz HAAMMBVASJAVIJ-SPYBWZPUSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(NC(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001739762133 1290404777 /nfs/dbraw/zinc/40/47/77/1290404777.db2.gz HAAMMBVASJAVIJ-SPYBWZPUSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1nc(C)n(CC[NH2+][C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C2CC2)n1 ZINC001752484502 1290613059 /nfs/dbraw/zinc/61/30/59/1290613059.db2.gz LZIRLTSAGZJTBH-BRWVUGGUSA-N 2 2 371.489 0.917 20 0 FCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001752745375 1290614490 /nfs/dbraw/zinc/61/44/90/1290614490.db2.gz GITXDKQCNLMCMV-SIRPWMCASA-N 2 2 355.479 0.138 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC(F)(F)F)C2)CC[N@@H+]1C ZINC001753127996 1290619833 /nfs/dbraw/zinc/61/98/33/1290619833.db2.gz AZDSCPJMIKYEGZ-FRRDWIJNSA-N 2 2 364.412 0.443 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC(F)(F)F)C2)CC[N@H+]1C ZINC001753127996 1290619837 /nfs/dbraw/zinc/61/98/37/1290619837.db2.gz AZDSCPJMIKYEGZ-FRRDWIJNSA-N 2 2 364.412 0.443 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001753127996 1290619845 /nfs/dbraw/zinc/61/98/45/1290619845.db2.gz AZDSCPJMIKYEGZ-FRRDWIJNSA-N 2 2 364.412 0.443 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC(F)(F)F)C2)CC[NH+]1C ZINC001753127996 1290619854 /nfs/dbraw/zinc/61/98/54/1290619854.db2.gz AZDSCPJMIKYEGZ-FRRDWIJNSA-N 2 2 364.412 0.443 20 0 FCADLP COC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693129 1291042083 /nfs/dbraw/zinc/04/20/83/1291042083.db2.gz NGGCFOYZELLIKA-LPHOPBHVSA-N 2 2 362.474 0.450 20 0 FCADLP COC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001645693129 1291042091 /nfs/dbraw/zinc/04/20/91/1291042091.db2.gz NGGCFOYZELLIKA-LPHOPBHVSA-N 2 2 362.474 0.450 20 0 FCADLP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843534 1291568805 /nfs/dbraw/zinc/56/88/05/1291568805.db2.gz WOIWYECQXCYMIF-OAGGEKHMSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[NH+]([C@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843534 1291568812 /nfs/dbraw/zinc/56/88/12/1291568812.db2.gz WOIWYECQXCYMIF-OAGGEKHMSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843534 1291568817 /nfs/dbraw/zinc/56/88/17/1291568817.db2.gz WOIWYECQXCYMIF-OAGGEKHMSA-N 2 2 363.510 0.783 20 0 FCADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nnnn3C)CC[C@@H]2C1 ZINC001656843534 1291568823 /nfs/dbraw/zinc/56/88/23/1291568823.db2.gz WOIWYECQXCYMIF-OAGGEKHMSA-N 2 2 363.510 0.783 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3nc(C(N)=O)cs3)CC2)CC1 ZINC001665361747 1291852453 /nfs/dbraw/zinc/85/24/53/1291852453.db2.gz NJUCOTKMFOOZAB-UHFFFAOYSA-N 2 2 366.491 0.922 20 0 FCADLP CCn1cnnc1CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001675989136 1292190252 /nfs/dbraw/zinc/19/02/52/1292190252.db2.gz OBGYAVKZMRMQKH-UHFFFAOYSA-N 2 2 363.510 1.000 20 0 FCADLP CCn1cnnc1CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001675989136 1292190256 /nfs/dbraw/zinc/19/02/56/1292190256.db2.gz OBGYAVKZMRMQKH-UHFFFAOYSA-N 2 2 363.510 1.000 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+]1C ZINC001688333769 1294481681 /nfs/dbraw/zinc/48/16/81/1294481681.db2.gz YHGMQPGFSGSVIL-GDBMZVCRSA-N 2 2 370.457 0.796 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+]1C ZINC001688333769 1294481686 /nfs/dbraw/zinc/48/16/86/1294481686.db2.gz YHGMQPGFSGSVIL-GDBMZVCRSA-N 2 2 370.457 0.796 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@@H+]1C ZINC001688566511 1294509624 /nfs/dbraw/zinc/50/96/24/1294509624.db2.gz RJNBLLFQXLDOIG-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)CCc3c[nH]c[nH+]3)C2)CC[N@H+]1C ZINC001688566511 1294509634 /nfs/dbraw/zinc/50/96/34/1294509634.db2.gz RJNBLLFQXLDOIG-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)CCc3c[nH+]c[nH]3)C2)CC[N@@H+]1C ZINC001688566511 1294509636 /nfs/dbraw/zinc/50/96/36/1294509636.db2.gz RJNBLLFQXLDOIG-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)C(=O)CCc3c[nH+]c[nH]3)C2)CC[N@H+]1C ZINC001688566511 1294509644 /nfs/dbraw/zinc/50/96/44/1294509644.db2.gz RJNBLLFQXLDOIG-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)C2)o1 ZINC001689019461 1294569474 /nfs/dbraw/zinc/56/94/74/1294569474.db2.gz VHZYPANEDAXIMD-VNQPRFMTSA-N 2 2 365.478 0.721 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001689329770 1294754786 /nfs/dbraw/zinc/75/47/86/1294754786.db2.gz QCVBXVCFDOIRGV-VNQPRFMTSA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001689329770 1294754796 /nfs/dbraw/zinc/75/47/96/1294754796.db2.gz QCVBXVCFDOIRGV-VNQPRFMTSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336421 1294759348 /nfs/dbraw/zinc/75/93/48/1294759348.db2.gz NOCNZYFPPKBNTO-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336421 1294759355 /nfs/dbraw/zinc/75/93/55/1294759355.db2.gz NOCNZYFPPKBNTO-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336421 1294759363 /nfs/dbraw/zinc/75/93/63/1294759363.db2.gz NOCNZYFPPKBNTO-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC1(CS(C)(=O)=O)CC1 ZINC001689336421 1294759369 /nfs/dbraw/zinc/75/93/69/1294759369.db2.gz NOCNZYFPPKBNTO-KFWWJZLASA-N 2 2 357.520 0.342 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC001689342501 1294764987 /nfs/dbraw/zinc/76/49/87/1294764987.db2.gz XPUYKGAFOHHGHO-NEPJUHHUSA-N 2 2 361.368 0.531 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCNC(=O)C(F)(F)F ZINC001689342501 1294764990 /nfs/dbraw/zinc/76/49/90/1294764990.db2.gz XPUYKGAFOHHGHO-NEPJUHHUSA-N 2 2 361.368 0.531 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001691753334 1294914933 /nfs/dbraw/zinc/91/49/33/1294914933.db2.gz WAAYURSVADZBAX-FRFSOERESA-N 2 2 351.447 0.467 20 0 FCADLP COCCN1CC[N@H+](C)C2(CCN(c3cc(N(C)C)cc[nH+]3)CC2)C1=O ZINC001164633882 719274313 /nfs/dbraw/zinc/27/43/13/719274313.db2.gz JGRACPCFZCUUHM-UHFFFAOYSA-N 2 2 361.490 0.907 20 0 FCADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc(N(C)C)cc[nH+]3)CC2)C1=O ZINC001164633882 719274314 /nfs/dbraw/zinc/27/43/14/719274314.db2.gz JGRACPCFZCUUHM-UHFFFAOYSA-N 2 2 361.490 0.907 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(n1)CC[NH2+]C2 ZINC001164703343 719842827 /nfs/dbraw/zinc/84/28/27/719842827.db2.gz QSIZEZBHIOFQAC-JXFKEZNVSA-N 2 2 374.485 0.960 20 0 FCADLP C[NH+]1CCN(c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)CC1 ZINC001165053805 722008777 /nfs/dbraw/zinc/00/87/77/722008777.db2.gz LRULXWHGWPPPPI-UHFFFAOYSA-N 2 2 367.501 0.988 20 0 FCADLP CC[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001065713210 837410275 /nfs/dbraw/zinc/41/02/75/837410275.db2.gz OALIJXRNNYDBGB-IXDOHACOSA-N 2 2 350.507 0.729 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928829 837565430 /nfs/dbraw/zinc/56/54/30/837565430.db2.gz LDVULYSGWYEWND-JINXCLPWSA-N 2 2 364.881 0.714 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928829 837565433 /nfs/dbraw/zinc/56/54/33/837565433.db2.gz LDVULYSGWYEWND-JINXCLPWSA-N 2 2 364.881 0.714 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930702 837566234 /nfs/dbraw/zinc/56/62/34/837566234.db2.gz YITJATALVHFAIU-UTVAWUEASA-N 2 2 352.870 0.712 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930702 837566241 /nfs/dbraw/zinc/56/62/41/837566241.db2.gz YITJATALVHFAIU-UTVAWUEASA-N 2 2 352.870 0.712 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930702 837566251 /nfs/dbraw/zinc/56/62/51/837566251.db2.gz YITJATALVHFAIU-UTVAWUEASA-N 2 2 352.870 0.712 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930702 837566257 /nfs/dbraw/zinc/56/62/57/837566257.db2.gz YITJATALVHFAIU-UTVAWUEASA-N 2 2 352.870 0.712 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001070277412 837642532 /nfs/dbraw/zinc/64/25/32/837642532.db2.gz PJWSJDNIVKJKMT-RDBSUJKOSA-N 2 2 364.479 0.012 20 0 FCADLP Cc1nnsc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610790 837779690 /nfs/dbraw/zinc/77/96/90/837779690.db2.gz DFGSVGPLPXSHOX-QLFBSQMISA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610790 837779696 /nfs/dbraw/zinc/77/96/96/837779696.db2.gz DFGSVGPLPXSHOX-QLFBSQMISA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610790 837779700 /nfs/dbraw/zinc/77/97/00/837779700.db2.gz DFGSVGPLPXSHOX-QLFBSQMISA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610790 837779703 /nfs/dbraw/zinc/77/97/03/837779703.db2.gz DFGSVGPLPXSHOX-QLFBSQMISA-N 2 2 367.519 0.894 20 0 FCADLP CN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C(F)(F)F)C1=O ZINC001099312929 844017899 /nfs/dbraw/zinc/01/78/99/844017899.db2.gz KBTCQEYWEOPYLT-IJLUTSLNSA-N 2 2 359.352 0.162 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001099314310 844018098 /nfs/dbraw/zinc/01/80/98/844018098.db2.gz LRLDNKIYBKTXEY-GRYCIOLGSA-N 2 2 359.352 0.210 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCn2cccn2)C1 ZINC001099312662 844018382 /nfs/dbraw/zinc/01/83/82/844018382.db2.gz BWTNJIKGGCFHBA-CHWSQXEVSA-N 2 2 356.352 0.828 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C(F)(F)F)C(N)=O ZINC001099336068 844030622 /nfs/dbraw/zinc/03/06/22/844030622.db2.gz HCYJEYIGLCBDHM-MVWJERBFSA-N 2 2 361.368 0.205 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001099342406 844034933 /nfs/dbraw/zinc/03/49/33/844034933.db2.gz MSFCGAZNCJPMIO-GRYCIOLGSA-N 2 2 359.352 0.059 20 0 FCADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)c1cccnc1 ZINC001099345557 844036872 /nfs/dbraw/zinc/03/68/72/844036872.db2.gz HPSQXBZZOMYAGU-MGPQQGTHSA-N 2 2 360.380 0.656 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100418644 844053166 /nfs/dbraw/zinc/05/31/66/844053166.db2.gz DHDFXIISFUSDBU-NWINJMCUSA-N 2 2 354.476 0.432 20 0 FCADLP CS(=O)(=O)CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100418644 844053175 /nfs/dbraw/zinc/05/31/75/844053175.db2.gz DHDFXIISFUSDBU-NWINJMCUSA-N 2 2 354.476 0.432 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000176603408 836022104 /nfs/dbraw/zinc/02/21/04/836022104.db2.gz ZVNKZIMZTAPAJD-INIZCTEOSA-N 2 2 374.551 0.621 20 0 FCADLP Cc1[nH+]cc(C[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1C ZINC000689796769 836097038 /nfs/dbraw/zinc/09/70/38/836097038.db2.gz PTNKBGCNEDSFFG-UHFFFAOYSA-N 2 2 351.451 0.897 20 0 FCADLP CS(=O)(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000702573183 836100413 /nfs/dbraw/zinc/10/04/13/836100413.db2.gz KUGFQXWRAJIEHP-IAGOWNOFSA-N 2 2 353.488 0.247 20 0 FCADLP CS(=O)(=O)N1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000702573183 836100419 /nfs/dbraw/zinc/10/04/19/836100419.db2.gz KUGFQXWRAJIEHP-IAGOWNOFSA-N 2 2 353.488 0.247 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644822 837876576 /nfs/dbraw/zinc/87/65/76/837876576.db2.gz CVBGJWGZCPRHGQ-RRFJBIMHSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644822 837876583 /nfs/dbraw/zinc/87/65/83/837876583.db2.gz CVBGJWGZCPRHGQ-RRFJBIMHSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644822 837876589 /nfs/dbraw/zinc/87/65/89/837876589.db2.gz CVBGJWGZCPRHGQ-RRFJBIMHSA-N 2 2 350.488 0.815 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644822 837876597 /nfs/dbraw/zinc/87/65/97/837876597.db2.gz CVBGJWGZCPRHGQ-RRFJBIMHSA-N 2 2 350.488 0.815 20 0 FCADLP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076078057 837954064 /nfs/dbraw/zinc/95/40/64/837954064.db2.gz MGZARLYSYBIUMC-MLHJIOFPSA-N 2 2 351.491 0.809 20 0 FCADLP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076078057 837954068 /nfs/dbraw/zinc/95/40/68/837954068.db2.gz MGZARLYSYBIUMC-MLHJIOFPSA-N 2 2 351.491 0.809 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)CC[N@@H+]1C ZINC001077027742 838227274 /nfs/dbraw/zinc/22/72/74/838227274.db2.gz OSTFXYZETVKJEU-ZJIFWQFVSA-N 2 2 369.897 0.428 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3cc(Cl)cn3)C[C@H]2O)CC[N@H+]1C ZINC001077027742 838227287 /nfs/dbraw/zinc/22/72/87/838227287.db2.gz OSTFXYZETVKJEU-ZJIFWQFVSA-N 2 2 369.897 0.428 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC[NH+]1C ZINC001077027742 838227301 /nfs/dbraw/zinc/22/73/01/838227301.db2.gz OSTFXYZETVKJEU-ZJIFWQFVSA-N 2 2 369.897 0.428 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)CC[NH+]1C ZINC001077027742 838227313 /nfs/dbraw/zinc/22/73/13/838227313.db2.gz OSTFXYZETVKJEU-ZJIFWQFVSA-N 2 2 369.897 0.428 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127737 838750692 /nfs/dbraw/zinc/75/06/92/838750692.db2.gz HENHCESBYTWZDX-FVQBIDKESA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127737 838750699 /nfs/dbraw/zinc/75/06/99/838750699.db2.gz HENHCESBYTWZDX-FVQBIDKESA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127737 838750707 /nfs/dbraw/zinc/75/07/07/838750707.db2.gz HENHCESBYTWZDX-FVQBIDKESA-N 2 2 352.504 0.782 20 0 FCADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)C1 ZINC001077127737 838750714 /nfs/dbraw/zinc/75/07/14/838750714.db2.gz HENHCESBYTWZDX-FVQBIDKESA-N 2 2 352.504 0.782 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001077131984 838759124 /nfs/dbraw/zinc/75/91/24/838759124.db2.gz OHZKTMPNFNSDCG-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001077131984 838759133 /nfs/dbraw/zinc/75/91/33/838759133.db2.gz OHZKTMPNFNSDCG-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001077131984 838759140 /nfs/dbraw/zinc/75/91/40/838759140.db2.gz OHZKTMPNFNSDCG-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001077131984 838759152 /nfs/dbraw/zinc/75/91/52/838759152.db2.gz OHZKTMPNFNSDCG-DJIMGWMZSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)c[nH+]1 ZINC001077209400 838816586 /nfs/dbraw/zinc/81/65/86/838816586.db2.gz FYNCWICZSCKYSZ-HZPDHXFCSA-N 2 2 350.463 0.515 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)c[nH+]1 ZINC001077209400 838816595 /nfs/dbraw/zinc/81/65/95/838816595.db2.gz FYNCWICZSCKYSZ-HZPDHXFCSA-N 2 2 350.463 0.515 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O)O1 ZINC001077220742 838825109 /nfs/dbraw/zinc/82/51/09/838825109.db2.gz SAKWEUIZQYCPIT-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O)O1 ZINC001077220742 838825122 /nfs/dbraw/zinc/82/51/22/838825122.db2.gz SAKWEUIZQYCPIT-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O)O1 ZINC001077220742 838825132 /nfs/dbraw/zinc/82/51/32/838825132.db2.gz SAKWEUIZQYCPIT-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O)O1 ZINC001077220742 838825149 /nfs/dbraw/zinc/82/51/49/838825149.db2.gz SAKWEUIZQYCPIT-BASLNEPJSA-N 2 2 351.422 0.206 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC001077237369 838841344 /nfs/dbraw/zinc/84/13/44/838841344.db2.gz HLGZUQQGOQFJLI-QLFBSQMISA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)s1 ZINC001077237369 838841355 /nfs/dbraw/zinc/84/13/55/838841355.db2.gz HLGZUQQGOQFJLI-QLFBSQMISA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)s1 ZINC001077237369 838841369 /nfs/dbraw/zinc/84/13/69/838841369.db2.gz HLGZUQQGOQFJLI-QLFBSQMISA-N 2 2 352.504 0.906 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)s1 ZINC001077237369 838841379 /nfs/dbraw/zinc/84/13/79/838841379.db2.gz HLGZUQQGOQFJLI-QLFBSQMISA-N 2 2 352.504 0.906 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251816 838850851 /nfs/dbraw/zinc/85/08/51/838850851.db2.gz QGNVYIJHXRGKEH-IAOVAPTHSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251816 838850859 /nfs/dbraw/zinc/85/08/59/838850859.db2.gz QGNVYIJHXRGKEH-IAOVAPTHSA-N 2 2 360.483 0.911 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566976 839041341 /nfs/dbraw/zinc/04/13/41/839041341.db2.gz VSOCPRMBSVQVPM-RBSFLKMASA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566976 839041350 /nfs/dbraw/zinc/04/13/50/839041350.db2.gz VSOCPRMBSVQVPM-RBSFLKMASA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566976 839041358 /nfs/dbraw/zinc/04/13/58/839041358.db2.gz VSOCPRMBSVQVPM-RBSFLKMASA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566976 839041363 /nfs/dbraw/zinc/04/13/63/839041363.db2.gz VSOCPRMBSVQVPM-RBSFLKMASA-N 2 2 368.503 0.222 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205757 839401451 /nfs/dbraw/zinc/40/14/51/839401451.db2.gz BJKOMIINDSQGPO-ZACQAIPSSA-N 2 2 367.515 0.747 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205757 839401460 /nfs/dbraw/zinc/40/14/60/839401460.db2.gz BJKOMIINDSQGPO-ZACQAIPSSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205757 839401466 /nfs/dbraw/zinc/40/14/66/839401466.db2.gz BJKOMIINDSQGPO-ZACQAIPSSA-N 2 2 367.515 0.747 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@H]2O)C1 ZINC001078205757 839401472 /nfs/dbraw/zinc/40/14/72/839401472.db2.gz BJKOMIINDSQGPO-ZACQAIPSSA-N 2 2 367.515 0.747 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228503 839418351 /nfs/dbraw/zinc/41/83/51/839418351.db2.gz SWPIXKHZHUNZKO-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228503 839418357 /nfs/dbraw/zinc/41/83/57/839418357.db2.gz SWPIXKHZHUNZKO-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228503 839418364 /nfs/dbraw/zinc/41/83/64/839418364.db2.gz SWPIXKHZHUNZKO-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001078228503 839418371 /nfs/dbraw/zinc/41/83/71/839418371.db2.gz SWPIXKHZHUNZKO-OWCLPIDISA-N 2 2 350.463 0.827 20 0 FCADLP CC(C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231271 839496253 /nfs/dbraw/zinc/49/62/53/839496253.db2.gz BCZLSYBLUCKVHF-GVDBMIGSSA-N 2 2 351.491 0.665 20 0 FCADLP CC(C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231271 839496261 /nfs/dbraw/zinc/49/62/61/839496261.db2.gz BCZLSYBLUCKVHF-GVDBMIGSSA-N 2 2 351.491 0.665 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231302 839496494 /nfs/dbraw/zinc/49/64/94/839496494.db2.gz DCBFYZBHMNSIDE-ARFHVFGLSA-N 2 2 355.454 0.226 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+](CCF)CC3)[C@H]3COC[C@H]32)C1 ZINC001079231302 839496498 /nfs/dbraw/zinc/49/64/98/839496498.db2.gz DCBFYZBHMNSIDE-ARFHVFGLSA-N 2 2 355.454 0.226 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494492 839535534 /nfs/dbraw/zinc/53/55/34/839535534.db2.gz FPYQHFYKDREDKQ-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494492 839535545 /nfs/dbraw/zinc/53/55/45/839535545.db2.gz FPYQHFYKDREDKQ-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494492 839535549 /nfs/dbraw/zinc/53/55/49/839535549.db2.gz FPYQHFYKDREDKQ-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494492 839535556 /nfs/dbraw/zinc/53/55/56/839535556.db2.gz FPYQHFYKDREDKQ-ZACQAIPSSA-N 2 2 350.507 0.776 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527677 839542841 /nfs/dbraw/zinc/54/28/41/839542841.db2.gz ACFQRJCMNCSNAF-SRCQZFHVSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527677 839542848 /nfs/dbraw/zinc/54/28/48/839542848.db2.gz ACFQRJCMNCSNAF-SRCQZFHVSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079527677 839542849 /nfs/dbraw/zinc/54/28/49/839542849.db2.gz ACFQRJCMNCSNAF-SRCQZFHVSA-N 2 2 350.463 0.813 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079527677 839542857 /nfs/dbraw/zinc/54/28/57/839542857.db2.gz ACFQRJCMNCSNAF-SRCQZFHVSA-N 2 2 350.463 0.813 20 0 FCADLP C[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079968705 839635262 /nfs/dbraw/zinc/63/52/62/839635262.db2.gz MHFGBVPVNRHOGF-DJIMGWMZSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079968705 839635266 /nfs/dbraw/zinc/63/52/66/839635266.db2.gz MHFGBVPVNRHOGF-DJIMGWMZSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079968705 839635271 /nfs/dbraw/zinc/63/52/71/839635271.db2.gz MHFGBVPVNRHOGF-DJIMGWMZSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@@H]1C[NH+](CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079968705 839635273 /nfs/dbraw/zinc/63/52/73/839635273.db2.gz MHFGBVPVNRHOGF-DJIMGWMZSA-N 2 2 371.547 0.732 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940879 839838461 /nfs/dbraw/zinc/83/84/61/839838461.db2.gz LUPDXDODXCRXNU-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940879 839838466 /nfs/dbraw/zinc/83/84/66/839838466.db2.gz LUPDXDODXCRXNU-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1C[N@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943253 839839760 /nfs/dbraw/zinc/83/97/60/839839760.db2.gz XYMPHPXOWYDMAZ-OWCLPIDISA-N 2 2 357.520 0.344 20 0 FCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCS(=O)(=O)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943253 839839766 /nfs/dbraw/zinc/83/97/66/839839766.db2.gz XYMPHPXOWYDMAZ-OWCLPIDISA-N 2 2 357.520 0.344 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997400 839858329 /nfs/dbraw/zinc/85/83/29/839858329.db2.gz BSNZKXHPQUUGNY-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997400 839858336 /nfs/dbraw/zinc/85/83/36/839858336.db2.gz BSNZKXHPQUUGNY-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997400 839858343 /nfs/dbraw/zinc/85/83/43/839858343.db2.gz BSNZKXHPQUUGNY-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001080997400 839858350 /nfs/dbraw/zinc/85/83/50/839858350.db2.gz BSNZKXHPQUUGNY-BRWVUGGUSA-N 2 2 350.507 0.920 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445830 839932235 /nfs/dbraw/zinc/93/22/35/839932235.db2.gz CMNQIMIPPNOJDX-HLLBOEOZSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445830 839932241 /nfs/dbraw/zinc/93/22/41/839932241.db2.gz CMNQIMIPPNOJDX-HLLBOEOZSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081445830 839932247 /nfs/dbraw/zinc/93/22/47/839932247.db2.gz CMNQIMIPPNOJDX-HLLBOEOZSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1onc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081445830 839932252 /nfs/dbraw/zinc/93/22/52/839932252.db2.gz CMNQIMIPPNOJDX-HLLBOEOZSA-N 2 2 350.463 0.955 20 0 FCADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1)OC ZINC001081879870 840081206 /nfs/dbraw/zinc/08/12/06/840081206.db2.gz CMKMBRMHAZKIPK-APHBMKBZSA-N 2 2 354.451 0.590 20 0 FCADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1)OC ZINC001081879870 840081217 /nfs/dbraw/zinc/08/12/17/840081217.db2.gz CMKMBRMHAZKIPK-APHBMKBZSA-N 2 2 354.451 0.590 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454761 844503761 /nfs/dbraw/zinc/50/37/61/844503761.db2.gz QTIDQJOXNOQGOQ-BZUAXINKSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454761 844503765 /nfs/dbraw/zinc/50/37/65/844503765.db2.gz QTIDQJOXNOQGOQ-BZUAXINKSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454761 844503776 /nfs/dbraw/zinc/50/37/76/844503776.db2.gz QTIDQJOXNOQGOQ-BZUAXINKSA-N 2 2 352.479 0.935 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454761 844503781 /nfs/dbraw/zinc/50/37/81/844503781.db2.gz QTIDQJOXNOQGOQ-BZUAXINKSA-N 2 2 352.479 0.935 20 0 FCADLP CCCn1nnnc1C[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475599 844516046 /nfs/dbraw/zinc/51/60/46/844516046.db2.gz VQWXLDGZCNHXLR-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CCCn1nnnc1C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475599 844516051 /nfs/dbraw/zinc/51/60/51/844516051.db2.gz VQWXLDGZCNHXLR-HUUCEWRRSA-N 2 2 351.499 0.609 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102475370 844516169 /nfs/dbraw/zinc/51/61/69/844516169.db2.gz LCGXYRIEMPZOTC-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)Nc2nncs2)C[C@H]1C ZINC001102475370 844516174 /nfs/dbraw/zinc/51/61/74/844516174.db2.gz LCGXYRIEMPZOTC-CHWSQXEVSA-N 2 2 368.507 0.503 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134899 840205518 /nfs/dbraw/zinc/20/55/18/840205518.db2.gz HZONCNHUUDDIDI-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001082134899 840205531 /nfs/dbraw/zinc/20/55/31/840205531.db2.gz HZONCNHUUDDIDI-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001082134899 840205545 /nfs/dbraw/zinc/20/55/45/840205545.db2.gz HZONCNHUUDDIDI-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001082134899 840205559 /nfs/dbraw/zinc/20/55/59/840205559.db2.gz HZONCNHUUDDIDI-SRCQZFHVSA-N 2 2 350.463 0.949 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291355 840281491 /nfs/dbraw/zinc/28/14/91/840281491.db2.gz NQGIWDOLXFTICP-FVQBIDKESA-N 2 2 354.495 0.057 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291355 840281501 /nfs/dbraw/zinc/28/15/01/840281501.db2.gz NQGIWDOLXFTICP-FVQBIDKESA-N 2 2 354.495 0.057 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379105 840368312 /nfs/dbraw/zinc/36/83/12/840368312.db2.gz JMEOXGAYVNMMNF-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379105 840368323 /nfs/dbraw/zinc/36/83/23/840368323.db2.gz JMEOXGAYVNMMNF-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379105 840368336 /nfs/dbraw/zinc/36/83/36/840368336.db2.gz JMEOXGAYVNMMNF-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2OC)C1 ZINC001082379105 840368345 /nfs/dbraw/zinc/36/83/45/840368345.db2.gz JMEOXGAYVNMMNF-OAGGEKHMSA-N 2 2 368.503 0.222 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1cscn1 ZINC001082557938 840464878 /nfs/dbraw/zinc/46/48/78/840464878.db2.gz PWODPQRTVCDCBN-BMFZPTHFSA-N 2 2 362.503 0.907 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1[NH2+]Cc1nncs1 ZINC001082557718 840465110 /nfs/dbraw/zinc/46/51/10/840465110.db2.gz AZSQGXMAYSKELH-MGPQQGTHSA-N 2 2 363.491 0.302 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C)n1 ZINC001082596025 840481475 /nfs/dbraw/zinc/48/14/75/840481475.db2.gz RDMMFJIVPUUWRP-MCIONIFRSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C)n1 ZINC001082596025 840481483 /nfs/dbraw/zinc/48/14/83/840481483.db2.gz RDMMFJIVPUUWRP-MCIONIFRSA-N 2 2 351.451 0.637 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)n1 ZINC001082724178 840536905 /nfs/dbraw/zinc/53/69/05/840536905.db2.gz NBQVXCBEESJTSO-XJKCOSOUSA-N 2 2 353.467 0.739 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001082742214 840543340 /nfs/dbraw/zinc/54/33/40/840543340.db2.gz WCOUAFQDVUHNBQ-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)n1 ZINC001082742214 840543344 /nfs/dbraw/zinc/54/33/44/840543344.db2.gz WCOUAFQDVUHNBQ-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1C ZINC001102524871 844553002 /nfs/dbraw/zinc/55/30/02/844553002.db2.gz AUYNARBTNRGRRJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ncnn2CCF)C[C@H]1C ZINC001102524871 844553009 /nfs/dbraw/zinc/55/30/09/844553009.db2.gz AUYNARBTNRGRRJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102524871 844553013 /nfs/dbraw/zinc/55/30/13/844553013.db2.gz AUYNARBTNRGRRJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CCF)C[C@H]1C ZINC001102524871 844553020 /nfs/dbraw/zinc/55/30/20/844553020.db2.gz AUYNARBTNRGRRJ-HUUCEWRRSA-N 2 2 354.474 0.774 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)n1 ZINC001082861783 840588372 /nfs/dbraw/zinc/58/83/72/840588372.db2.gz OJLJKDGDUXEEAR-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP COCc1noc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n1 ZINC001082861783 840588377 /nfs/dbraw/zinc/58/83/77/840588377.db2.gz OJLJKDGDUXEEAR-MGPQQGTHSA-N 2 2 351.451 0.494 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001082884188 840590086 /nfs/dbraw/zinc/59/00/86/840590086.db2.gz HLXYSHQVFFUUEZ-UXIGCNINSA-N 2 2 354.476 0.132 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001082884530 840590170 /nfs/dbraw/zinc/59/01/70/840590170.db2.gz YFBCRSDHFABIQO-MLGOLLRUSA-N 2 2 368.503 0.522 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nncs2)C1 ZINC001082923711 840604655 /nfs/dbraw/zinc/60/46/55/840604655.db2.gz YOHNJGJFCVEGLO-HZSPNIEDSA-N 2 2 353.492 0.443 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C)s1 ZINC001082933897 840613265 /nfs/dbraw/zinc/61/32/65/840613265.db2.gz NWBVWWYCHJTPDZ-MGPQQGTHSA-N 2 2 367.519 0.758 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C)s1 ZINC001082933897 840613269 /nfs/dbraw/zinc/61/32/69/840613269.db2.gz NWBVWWYCHJTPDZ-MGPQQGTHSA-N 2 2 367.519 0.758 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnc3OC)C2)C1 ZINC001082934316 840613417 /nfs/dbraw/zinc/61/34/17/840613417.db2.gz IGTFQCXQGJUVFP-BPLDGKMQSA-N 2 2 368.503 0.809 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnc3OC)C2)C1 ZINC001082934316 840613423 /nfs/dbraw/zinc/61/34/23/840613423.db2.gz IGTFQCXQGJUVFP-BPLDGKMQSA-N 2 2 368.503 0.809 20 0 FCADLP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@H+]4C)[C@H]3C2)cs1 ZINC001083024322 840660603 /nfs/dbraw/zinc/66/06/03/840660603.db2.gz KGEMPIJNBPRRIM-IXDOHACOSA-N 2 2 364.515 1.000 20 0 FCADLP Cc1nc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)cs1 ZINC001083024322 840660606 /nfs/dbraw/zinc/66/06/06/840660606.db2.gz KGEMPIJNBPRRIM-IXDOHACOSA-N 2 2 364.515 1.000 20 0 FCADLP Cc1nc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)cs1 ZINC001083024322 840660611 /nfs/dbraw/zinc/66/06/11/840660611.db2.gz KGEMPIJNBPRRIM-IXDOHACOSA-N 2 2 364.515 1.000 20 0 FCADLP Cc1nc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CCC[NH+]4C)[C@H]3C2)cs1 ZINC001083024322 840660616 /nfs/dbraw/zinc/66/06/16/840660616.db2.gz KGEMPIJNBPRRIM-IXDOHACOSA-N 2 2 364.515 1.000 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035655 840668301 /nfs/dbraw/zinc/66/83/01/840668301.db2.gz YOLZOXHJSXSILL-BBWFWOEESA-N 2 2 365.499 0.533 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035655 840668307 /nfs/dbraw/zinc/66/83/07/840668307.db2.gz YOLZOXHJSXSILL-BBWFWOEESA-N 2 2 365.499 0.533 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035655 840668313 /nfs/dbraw/zinc/66/83/13/840668313.db2.gz YOLZOXHJSXSILL-BBWFWOEESA-N 2 2 365.499 0.533 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4cccs4)C[C@@H]32)C1 ZINC001083035655 840668318 /nfs/dbraw/zinc/66/83/18/840668318.db2.gz YOLZOXHJSXSILL-BBWFWOEESA-N 2 2 365.499 0.533 20 0 FCADLP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]21 ZINC001083148966 840753806 /nfs/dbraw/zinc/75/38/06/840753806.db2.gz QDWIXKZXGKWUBC-VZSDPZTASA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]21 ZINC001083148966 840753816 /nfs/dbraw/zinc/75/38/16/840753816.db2.gz QDWIXKZXGKWUBC-VZSDPZTASA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]21 ZINC001083148966 840753820 /nfs/dbraw/zinc/75/38/20/840753820.db2.gz QDWIXKZXGKWUBC-VZSDPZTASA-N 2 2 367.877 0.514 20 0 FCADLP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]21 ZINC001083148966 840753832 /nfs/dbraw/zinc/75/38/32/840753832.db2.gz QDWIXKZXGKWUBC-VZSDPZTASA-N 2 2 367.877 0.514 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369359 840941615 /nfs/dbraw/zinc/94/16/15/840941615.db2.gz TXDDOJVXIIDVCA-ILXRZTDVSA-N 2 2 361.471 0.447 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369359 840941621 /nfs/dbraw/zinc/94/16/21/840941621.db2.gz TXDDOJVXIIDVCA-ILXRZTDVSA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369359 840941628 /nfs/dbraw/zinc/94/16/28/840941628.db2.gz TXDDOJVXIIDVCA-ILXRZTDVSA-N 2 2 361.471 0.447 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@@H]1O ZINC001083369359 840941636 /nfs/dbraw/zinc/94/16/36/840941636.db2.gz TXDDOJVXIIDVCA-ILXRZTDVSA-N 2 2 361.471 0.447 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385267 840955328 /nfs/dbraw/zinc/95/53/28/840955328.db2.gz IYURGIGHUGSYAU-QLFBSQMISA-N 2 2 361.433 0.304 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385267 840955334 /nfs/dbraw/zinc/95/53/34/840955334.db2.gz IYURGIGHUGSYAU-QLFBSQMISA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385267 840955339 /nfs/dbraw/zinc/95/53/39/840955339.db2.gz IYURGIGHUGSYAU-QLFBSQMISA-N 2 2 361.433 0.304 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]2O)C1 ZINC001083385267 840955348 /nfs/dbraw/zinc/95/53/48/840955348.db2.gz IYURGIGHUGSYAU-QLFBSQMISA-N 2 2 361.433 0.304 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616443 844605449 /nfs/dbraw/zinc/60/54/49/844605449.db2.gz AVBJJMGRFLIDIR-QLFBSQMISA-N 2 2 354.476 0.002 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616443 844605451 /nfs/dbraw/zinc/60/54/51/844605451.db2.gz AVBJJMGRFLIDIR-QLFBSQMISA-N 2 2 354.476 0.002 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524289 841124220 /nfs/dbraw/zinc/12/42/20/841124220.db2.gz PFWWGSSUVCOEPN-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524289 841124224 /nfs/dbraw/zinc/12/42/24/841124224.db2.gz PFWWGSSUVCOEPN-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524289 841124235 /nfs/dbraw/zinc/12/42/35/841124235.db2.gz PFWWGSSUVCOEPN-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524289 841124239 /nfs/dbraw/zinc/12/42/39/841124239.db2.gz PFWWGSSUVCOEPN-ZACQAIPSSA-N 2 2 350.463 0.907 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563670 841174567 /nfs/dbraw/zinc/17/45/67/841174567.db2.gz ZVLQQSSUIJQZNG-XHSDSOJGSA-N 2 2 350.463 0.657 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2O)c[nH+]1 ZINC001083563670 841174576 /nfs/dbraw/zinc/17/45/76/841174576.db2.gz ZVLQQSSUIJQZNG-XHSDSOJGSA-N 2 2 350.463 0.657 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583487 841199751 /nfs/dbraw/zinc/19/97/51/841199751.db2.gz IJOKRJFGCIBLGP-XKQJLSEDSA-N 2 2 360.483 0.911 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583487 841199754 /nfs/dbraw/zinc/19/97/54/841199754.db2.gz IJOKRJFGCIBLGP-XKQJLSEDSA-N 2 2 360.483 0.911 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725974 841366130 /nfs/dbraw/zinc/36/61/30/841366130.db2.gz VSOCPRMBSVQVPM-QLFBSQMISA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725974 841366140 /nfs/dbraw/zinc/36/61/40/841366140.db2.gz VSOCPRMBSVQVPM-QLFBSQMISA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725974 841366150 /nfs/dbraw/zinc/36/61/50/841366150.db2.gz VSOCPRMBSVQVPM-QLFBSQMISA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725974 841366159 /nfs/dbraw/zinc/36/61/59/841366159.db2.gz VSOCPRMBSVQVPM-QLFBSQMISA-N 2 2 368.503 0.222 20 0 FCADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001275799099 861194097 /nfs/dbraw/zinc/19/40/97/861194097.db2.gz ILVSMONHEMFLFN-QLFBSQMISA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CC[C@@H](O)C1)C2 ZINC001275799099 861194099 /nfs/dbraw/zinc/19/40/99/861194099.db2.gz ILVSMONHEMFLFN-QLFBSQMISA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001275799099 861194101 /nfs/dbraw/zinc/19/41/01/861194101.db2.gz ILVSMONHEMFLFN-QLFBSQMISA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncsc1C[NH+]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001275799099 861194102 /nfs/dbraw/zinc/19/41/02/861194102.db2.gz ILVSMONHEMFLFN-QLFBSQMISA-N 2 2 350.488 0.551 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)s1 ZINC001083961269 841604977 /nfs/dbraw/zinc/60/49/77/841604977.db2.gz KJSXAZFMYNMTTD-ZBFHGGJFSA-N 2 2 361.471 0.888 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)[C@@H](O)C2)s1 ZINC001083961269 841604981 /nfs/dbraw/zinc/60/49/81/841604981.db2.gz KJSXAZFMYNMTTD-ZBFHGGJFSA-N 2 2 361.471 0.888 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053761 841667379 /nfs/dbraw/zinc/66/73/79/841667379.db2.gz JVTOPOVQQHMTQU-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053761 841667384 /nfs/dbraw/zinc/66/73/84/841667384.db2.gz JVTOPOVQQHMTQU-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053761 841667388 /nfs/dbraw/zinc/66/73/88/841667388.db2.gz JVTOPOVQQHMTQU-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP COc1cc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)ccc1Cl ZINC001084053761 841667394 /nfs/dbraw/zinc/66/73/94/841667394.db2.gz JVTOPOVQQHMTQU-IMJJTQAJSA-N 2 2 367.877 0.962 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084602417 841838738 /nfs/dbraw/zinc/83/87/38/841838738.db2.gz NBDLQWLEERMYSU-KBAYOESNSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084602417 841838747 /nfs/dbraw/zinc/83/87/47/841838747.db2.gz NBDLQWLEERMYSU-KBAYOESNSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084602417 841838755 /nfs/dbraw/zinc/83/87/55/841838755.db2.gz NBDLQWLEERMYSU-KBAYOESNSA-N 2 2 351.491 0.545 20 0 FCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@H]2CC[NH+](CCCO)C[C@H]21 ZINC001084602417 841838763 /nfs/dbraw/zinc/83/87/63/841838763.db2.gz NBDLQWLEERMYSU-KBAYOESNSA-N 2 2 351.491 0.545 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084990384 841983300 /nfs/dbraw/zinc/98/33/00/841983300.db2.gz VJSLAIGOPPMWNB-CABCVRRESA-N 2 2 354.476 0.159 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H]2C1 ZINC001084990384 841983314 /nfs/dbraw/zinc/98/33/14/841983314.db2.gz VJSLAIGOPPMWNB-CABCVRRESA-N 2 2 354.476 0.159 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001085350953 842081335 /nfs/dbraw/zinc/08/13/35/842081335.db2.gz HRIGNDMSBKTOPD-HUUCEWRRSA-N 2 2 352.479 0.134 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nonc2C)C1 ZINC001085429430 842103576 /nfs/dbraw/zinc/10/35/76/842103576.db2.gz RQSDXGQFSKBOBQ-IIAWOOMASA-N 2 2 351.451 0.616 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nonc2C)C1 ZINC001085429430 842103590 /nfs/dbraw/zinc/10/35/90/842103590.db2.gz RQSDXGQFSKBOBQ-IIAWOOMASA-N 2 2 351.451 0.616 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001085438348 842105799 /nfs/dbraw/zinc/10/57/99/842105799.db2.gz JQYHZVRSLBVRKP-ARFHVFGLSA-N 2 2 368.503 0.725 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001086665029 842145666 /nfs/dbraw/zinc/14/56/66/842145666.db2.gz NTDRSZMKZMXIQA-MJBXVCDLSA-N 2 2 351.451 0.337 20 0 FCADLP CCc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001086665029 842145673 /nfs/dbraw/zinc/14/56/73/842145673.db2.gz NTDRSZMKZMXIQA-MJBXVCDLSA-N 2 2 351.451 0.337 20 0 FCADLP CN(C)c1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ns1 ZINC001086874672 842186068 /nfs/dbraw/zinc/18/60/68/842186068.db2.gz NHCCYONJMJVHOK-MELADBBJSA-N 2 2 366.535 0.930 20 0 FCADLP CN(C)c1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)ns1 ZINC001086874672 842186082 /nfs/dbraw/zinc/18/60/82/842186082.db2.gz NHCCYONJMJVHOK-MELADBBJSA-N 2 2 366.535 0.930 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC001086879962 842189547 /nfs/dbraw/zinc/18/95/47/842189547.db2.gz GHVVGVOUWLCVEL-MJBXVCDLSA-N 2 2 353.492 0.633 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC001086879962 842189557 /nfs/dbraw/zinc/18/95/57/842189557.db2.gz GHVVGVOUWLCVEL-MJBXVCDLSA-N 2 2 353.492 0.633 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(F)nc1)C2 ZINC001276008638 861289096 /nfs/dbraw/zinc/28/90/96/861289096.db2.gz OBPMLSFKLDVQNQ-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)nc1)C2 ZINC001276008638 861289101 /nfs/dbraw/zinc/28/91/01/861289101.db2.gz OBPMLSFKLDVQNQ-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP CCO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cnsn1 ZINC001087049790 842245559 /nfs/dbraw/zinc/24/55/59/842245559.db2.gz ZJPCJEGGFAXSJL-TZMCWYRMSA-N 2 2 364.475 0.847 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(F)nc1)C2 ZINC001276008637 861288130 /nfs/dbraw/zinc/28/81/30/861288130.db2.gz OBPMLSFKLDVQNQ-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)nc1)C2 ZINC001276008637 861288147 /nfs/dbraw/zinc/28/81/47/861288147.db2.gz OBPMLSFKLDVQNQ-GOSISDBHSA-N 2 2 350.438 0.833 20 0 FCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH2+]Cc1nncs1 ZINC001087098784 842288424 /nfs/dbraw/zinc/28/84/24/842288424.db2.gz MVJLCDUZPVSJFI-TZMCWYRMSA-N 2 2 364.475 0.765 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001087529298 842347070 /nfs/dbraw/zinc/34/70/70/842347070.db2.gz AOVZKHVYCQDPGD-ARFHVFGLSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCn1cc(Cl)cn1 ZINC001087529298 842347080 /nfs/dbraw/zinc/34/70/80/842347080.db2.gz AOVZKHVYCQDPGD-ARFHVFGLSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001087529298 842347090 /nfs/dbraw/zinc/34/70/90/842347090.db2.gz AOVZKHVYCQDPGD-ARFHVFGLSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCn1cc(Cl)cn1 ZINC001087529298 842347100 /nfs/dbraw/zinc/34/71/00/842347100.db2.gz AOVZKHVYCQDPGD-ARFHVFGLSA-N 2 2 369.897 0.836 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCS(C)(=O)=O ZINC001087573730 842362566 /nfs/dbraw/zinc/36/25/66/842362566.db2.gz AXNMMGKLCPXGCR-HRCADAONSA-N 2 2 357.520 0.342 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CCS(C)(=O)=O ZINC001087573730 842362578 /nfs/dbraw/zinc/36/25/78/842362578.db2.gz AXNMMGKLCPXGCR-HRCADAONSA-N 2 2 357.520 0.342 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087659683 842395690 /nfs/dbraw/zinc/39/56/90/842395690.db2.gz VPMPQMIABKFIOQ-OWCLPIDISA-N 2 2 368.503 0.595 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC001087659683 842395703 /nfs/dbraw/zinc/39/57/03/842395703.db2.gz VPMPQMIABKFIOQ-OWCLPIDISA-N 2 2 368.503 0.595 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505451 842590412 /nfs/dbraw/zinc/59/04/12/842590412.db2.gz JBOWRCQXHWZFJH-OAUYIBNBSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505451 842590423 /nfs/dbraw/zinc/59/04/23/842590423.db2.gz JBOWRCQXHWZFJH-OAUYIBNBSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505451 842590429 /nfs/dbraw/zinc/59/04/29/842590429.db2.gz JBOWRCQXHWZFJH-OAUYIBNBSA-N 2 2 350.463 0.955 20 0 FCADLP CCc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088505451 842590440 /nfs/dbraw/zinc/59/04/40/842590440.db2.gz JBOWRCQXHWZFJH-OAUYIBNBSA-N 2 2 350.463 0.955 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1CCS(C)(=O)=O ZINC001088922737 842719624 /nfs/dbraw/zinc/71/96/24/842719624.db2.gz ZZAJYOKZFWKHLI-PBHICJAKSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1CCS(C)(=O)=O ZINC001088922737 842719628 /nfs/dbraw/zinc/71/96/28/842719628.db2.gz ZZAJYOKZFWKHLI-PBHICJAKSA-N 2 2 367.515 0.985 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001089038064 842751463 /nfs/dbraw/zinc/75/14/63/842751463.db2.gz CDSBYFREFYCYQN-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001089038064 842751465 /nfs/dbraw/zinc/75/14/65/842751465.db2.gz CDSBYFREFYCYQN-BBWFWOEESA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001089038065 842751839 /nfs/dbraw/zinc/75/18/39/842751839.db2.gz CDSBYFREFYCYQN-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001089038065 842751847 /nfs/dbraw/zinc/75/18/47/842751847.db2.gz CDSBYFREFYCYQN-ZACQAIPSSA-N 2 2 350.507 0.920 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]1C[N@H+](CCO)C2 ZINC001091883420 843119765 /nfs/dbraw/zinc/11/97/65/843119765.db2.gz IYVNDLGVHBPALP-AOIWGVFYSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091883420 843119769 /nfs/dbraw/zinc/11/97/69/843119769.db2.gz IYVNDLGVHBPALP-AOIWGVFYSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091883420 843119773 /nfs/dbraw/zinc/11/97/73/843119773.db2.gz IYVNDLGVHBPALP-AOIWGVFYSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@H]1C[NH+](CCO)C2 ZINC001091883420 843119776 /nfs/dbraw/zinc/11/97/76/843119776.db2.gz IYVNDLGVHBPALP-AOIWGVFYSA-N 2 2 351.491 0.260 20 0 FCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001092847927 843319357 /nfs/dbraw/zinc/31/93/57/843319357.db2.gz GDNCVCCNEKOGQV-VQHPVUNQSA-N 2 2 357.470 0.520 20 0 FCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001092847927 843319367 /nfs/dbraw/zinc/31/93/67/843319367.db2.gz GDNCVCCNEKOGQV-VQHPVUNQSA-N 2 2 357.470 0.520 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911345 843338216 /nfs/dbraw/zinc/33/82/16/843338216.db2.gz QHDNXJGTNYYKJD-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911345 843338223 /nfs/dbraw/zinc/33/82/23/843338223.db2.gz QHDNXJGTNYYKJD-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911345 843338234 /nfs/dbraw/zinc/33/82/34/843338234.db2.gz QHDNXJGTNYYKJD-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)C1 ZINC001092911345 843338246 /nfs/dbraw/zinc/33/82/46/843338246.db2.gz QHDNXJGTNYYKJD-FMKPAKJESA-N 2 2 367.519 0.831 20 0 FCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001092911243 843339001 /nfs/dbraw/zinc/33/90/01/843339001.db2.gz ORGFPNIMCTXZPM-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001092911243 843339008 /nfs/dbraw/zinc/33/90/08/843339008.db2.gz ORGFPNIMCTXZPM-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001092911243 843339016 /nfs/dbraw/zinc/33/90/16/843339016.db2.gz ORGFPNIMCTXZPM-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP C[C@@H]1C[NH+](CCCO)C[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001092911243 843339026 /nfs/dbraw/zinc/33/90/26/843339026.db2.gz ORGFPNIMCTXZPM-NUJGCVRESA-N 2 2 353.507 0.696 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212136 843410112 /nfs/dbraw/zinc/41/01/12/843410112.db2.gz IRRLWXPBZHQABN-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212136 843410115 /nfs/dbraw/zinc/41/01/15/843410115.db2.gz IRRLWXPBZHQABN-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212136 843410121 /nfs/dbraw/zinc/41/01/21/843410121.db2.gz IRRLWXPBZHQABN-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nonc3C)C[C@H]2C)C1 ZINC001093212136 843410125 /nfs/dbraw/zinc/41/01/25/843410125.db2.gz IRRLWXPBZHQABN-XPKDYRNWSA-N 2 2 351.451 0.283 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)[nH]1 ZINC001094110998 843516612 /nfs/dbraw/zinc/51/66/12/843516612.db2.gz URYLFWPUFCMLFY-UKRRQHHQSA-N 2 2 350.467 0.020 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001094132559 843519284 /nfs/dbraw/zinc/51/92/84/843519284.db2.gz KZNGHRHIIZPVSQ-HZSPNIEDSA-N 2 2 354.476 0.071 20 0 FCADLP COCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276368253 861431412 /nfs/dbraw/zinc/43/14/12/861431412.db2.gz QSRVHSZMBLHMFC-GOSISDBHSA-N 2 2 350.463 0.898 20 0 FCADLP COCCCC[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001276368253 861431419 /nfs/dbraw/zinc/43/14/19/861431419.db2.gz QSRVHSZMBLHMFC-GOSISDBHSA-N 2 2 350.463 0.898 20 0 FCADLP C[NH+]1CCN(CCCN2C(=O)COCC23C[NH+](CC(C)(C)C)C3)CC1 ZINC001276375679 861434836 /nfs/dbraw/zinc/43/48/36/861434836.db2.gz VZKQBGUKEPPHAY-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP CN1CC[NH+](CCCN2C(=O)COCC23C[NH+](CC(C)(C)C)C3)CC1 ZINC001276375679 861434839 /nfs/dbraw/zinc/43/48/39/861434839.db2.gz VZKQBGUKEPPHAY-UHFFFAOYSA-N 2 2 352.523 0.583 20 0 FCADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095801321 843757977 /nfs/dbraw/zinc/75/79/77/843757977.db2.gz WPTWUZZESNUYMK-ZBRFXRBCSA-N 2 2 351.491 0.996 20 0 FCADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001095801321 843757985 /nfs/dbraw/zinc/75/79/85/843757985.db2.gz WPTWUZZESNUYMK-ZBRFXRBCSA-N 2 2 351.491 0.996 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001098400509 843914133 /nfs/dbraw/zinc/91/41/33/843914133.db2.gz DSDJPQWTYYPPAY-FPCVCCKLSA-N 2 2 355.504 0.238 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001098400509 843914136 /nfs/dbraw/zinc/91/41/36/843914136.db2.gz DSDJPQWTYYPPAY-FPCVCCKLSA-N 2 2 355.504 0.238 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001098407323 843916004 /nfs/dbraw/zinc/91/60/04/843916004.db2.gz DVRWDOOJPCFDGU-FPCVCCKLSA-N 2 2 366.487 0.348 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001098407323 843916012 /nfs/dbraw/zinc/91/60/12/843916012.db2.gz DVRWDOOJPCFDGU-FPCVCCKLSA-N 2 2 366.487 0.348 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001099261969 843995401 /nfs/dbraw/zinc/99/54/01/843995401.db2.gz AXQQVVWDNBRYFD-GMTAPVOTSA-N 2 2 359.352 0.225 20 0 FCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819105 844652886 /nfs/dbraw/zinc/65/28/86/844652886.db2.gz NEVIPNNPDBQSBA-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[NH+](C)CCO3)C2)o1 ZINC001102819105 844652890 /nfs/dbraw/zinc/65/28/90/844652890.db2.gz NEVIPNNPDBQSBA-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)o1 ZINC001102819105 844652896 /nfs/dbraw/zinc/65/28/96/844652896.db2.gz NEVIPNNPDBQSBA-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP Cc1cnc(C[NH+]2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)o1 ZINC001102819105 844652903 /nfs/dbraw/zinc/65/29/03/844652903.db2.gz NEVIPNNPDBQSBA-BMFZPTHFSA-N 2 2 350.463 0.888 20 0 FCADLP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103111675 844703448 /nfs/dbraw/zinc/70/34/48/844703448.db2.gz IAPFBTBNRNKEDO-FMKPAKJESA-N 2 2 351.499 0.371 20 0 FCADLP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C)[NH+](C)C ZINC001103111675 844703454 /nfs/dbraw/zinc/70/34/54/844703454.db2.gz IAPFBTBNRNKEDO-FMKPAKJESA-N 2 2 351.499 0.371 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001276608815 861495606 /nfs/dbraw/zinc/49/56/06/861495606.db2.gz FFBRHJSGIZGQLE-QAPCUYQASA-N 2 2 355.479 0.441 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001276608815 861495612 /nfs/dbraw/zinc/49/56/12/861495612.db2.gz FFBRHJSGIZGQLE-QAPCUYQASA-N 2 2 355.479 0.441 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537183 844775354 /nfs/dbraw/zinc/77/53/54/844775354.db2.gz XVJITTSBUQDXEU-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1CCNC(=O)CC[NH+]1CCOCC1 ZINC001103537183 844775360 /nfs/dbraw/zinc/77/53/60/844775360.db2.gz XVJITTSBUQDXEU-HUUCEWRRSA-N 2 2 367.519 0.835 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654835 844796700 /nfs/dbraw/zinc/79/67/00/844796700.db2.gz DUFCJTGSUCNOPZ-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654835 844796708 /nfs/dbraw/zinc/79/67/08/844796708.db2.gz DUFCJTGSUCNOPZ-HUUCEWRRSA-N 2 2 351.499 0.516 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103676956 844798253 /nfs/dbraw/zinc/79/82/53/844798253.db2.gz CHFQIPSUCOFADI-UKRRQHHQSA-N 2 2 370.519 0.770 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001103676956 844798260 /nfs/dbraw/zinc/79/82/60/844798260.db2.gz CHFQIPSUCOFADI-UKRRQHHQSA-N 2 2 370.519 0.770 20 0 FCADLP CCN(CC)C(=O)CN1C[C@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276611309 861499107 /nfs/dbraw/zinc/49/91/07/861499107.db2.gz UDKMYNOSCRWOQO-GOSISDBHSA-N 2 2 354.495 0.110 20 0 FCADLP CCN(CC)C(=O)CN1C[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001276611309 861499118 /nfs/dbraw/zinc/49/91/18/861499118.db2.gz UDKMYNOSCRWOQO-GOSISDBHSA-N 2 2 354.495 0.110 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001104729185 844935114 /nfs/dbraw/zinc/93/51/14/844935114.db2.gz QATVQGRLUZTKRX-RBSFLKMASA-N 2 2 368.503 0.461 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105054027 844974785 /nfs/dbraw/zinc/97/47/85/844974785.db2.gz HHKINXGVKFCLPR-ZIAGYGMSSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105054027 844974792 /nfs/dbraw/zinc/97/47/92/844974792.db2.gz HHKINXGVKFCLPR-ZIAGYGMSSA-N 2 2 364.515 0.666 20 0 FCADLP CC(C)[C@@H]1N(C(=O)Cn2cc[nH+]c2)C[C@]12C[C@@H](O)[C@H]([NH2+]CCCO)C2 ZINC001105674580 845017002 /nfs/dbraw/zinc/01/70/02/845017002.db2.gz ZTHAUIZAGNSRQD-LMSBXDPUSA-N 2 2 350.463 0.232 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106343190 845160711 /nfs/dbraw/zinc/16/07/11/845160711.db2.gz UBZPCLBXANUIDH-RBSFLKMASA-N 2 2 368.503 0.174 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106621707 845206904 /nfs/dbraw/zinc/20/69/04/845206904.db2.gz ZWHSTGFQKLCSLK-UEQMNGJNSA-N 2 2 367.881 0.894 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106621707 845206914 /nfs/dbraw/zinc/20/69/14/845206914.db2.gz ZWHSTGFQKLCSLK-UEQMNGJNSA-N 2 2 367.881 0.894 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]CCOCCO ZINC001106655398 845215568 /nfs/dbraw/zinc/21/55/68/845215568.db2.gz NISFSJKJGKSMEY-KFWWJZLASA-N 2 2 350.463 0.523 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705982 861550021 /nfs/dbraw/zinc/55/00/21/861550021.db2.gz WMMSXNLSMNIGKQ-WMLDXEAASA-N 2 2 350.419 0.138 20 0 FCADLP COC[C@@H](C(=O)OC)N1CC[C@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001276705982 861550029 /nfs/dbraw/zinc/55/00/29/861550029.db2.gz WMMSXNLSMNIGKQ-WMLDXEAASA-N 2 2 350.419 0.138 20 0 FCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107012171 845310032 /nfs/dbraw/zinc/31/00/32/845310032.db2.gz YMFHPSXMDRKOEG-NXHRZFHOSA-N 2 2 353.507 0.818 20 0 FCADLP CC(C)NC(=O)NCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078912 845326567 /nfs/dbraw/zinc/32/65/67/845326567.db2.gz NYJISZALUOTYKL-HUUCEWRRSA-N 2 2 350.467 0.275 20 0 FCADLP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1csnn1)CC2 ZINC001107609471 845407152 /nfs/dbraw/zinc/40/71/52/845407152.db2.gz UNVOQDAEUWPVIK-NVXWUHKLSA-N 2 2 367.519 0.977 20 0 FCADLP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1csnn1)CC2 ZINC001107609471 845407155 /nfs/dbraw/zinc/40/71/55/845407155.db2.gz UNVOQDAEUWPVIK-NVXWUHKLSA-N 2 2 367.519 0.977 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758198 861585059 /nfs/dbraw/zinc/58/50/59/861585059.db2.gz VHRXYXLFTJURBS-SFHVURJKSA-N 2 2 353.463 0.542 20 0 FCADLP COCCOCN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001276758198 861585072 /nfs/dbraw/zinc/58/50/72/861585072.db2.gz VHRXYXLFTJURBS-SFHVURJKSA-N 2 2 353.463 0.542 20 0 FCADLP CCS(=O)(=O)CCN1CCC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001276756675 861582471 /nfs/dbraw/zinc/58/24/71/861582471.db2.gz YLBFXBOUHORZSU-UHFFFAOYSA-N 2 2 371.547 0.830 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276756815 861583350 /nfs/dbraw/zinc/58/33/50/861583350.db2.gz FHBJQYJPFORGKK-RDTXWAMCSA-N 2 2 353.463 0.336 20 0 FCADLP CCOC(=O)[C@@H](C)N1C[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001276756815 861583354 /nfs/dbraw/zinc/58/33/54/861583354.db2.gz FHBJQYJPFORGKK-RDTXWAMCSA-N 2 2 353.463 0.336 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)C ZINC001109363267 845630926 /nfs/dbraw/zinc/63/09/26/845630926.db2.gz STPQBZKEGQOCEH-WCVJEAGWSA-N 2 2 356.486 0.912 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)C ZINC001109363267 845630929 /nfs/dbraw/zinc/63/09/29/845630929.db2.gz STPQBZKEGQOCEH-WCVJEAGWSA-N 2 2 356.486 0.912 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2)CS(C)(=O)=O ZINC001109400401 845645856 /nfs/dbraw/zinc/64/58/56/845645856.db2.gz FBZPUZGDSRXPEB-FZKCQIBNSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2)CS(C)(=O)=O ZINC001109400401 845645860 /nfs/dbraw/zinc/64/58/60/845645860.db2.gz FBZPUZGDSRXPEB-FZKCQIBNSA-N 2 2 371.547 0.873 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001109464091 845667077 /nfs/dbraw/zinc/66/70/77/845667077.db2.gz LHZGHQFQOIFMAS-ILXRZTDVSA-N 2 2 374.551 0.330 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN(C)S(C)(=O)=O ZINC001109464091 845667083 /nfs/dbraw/zinc/66/70/83/845667083.db2.gz LHZGHQFQOIFMAS-ILXRZTDVSA-N 2 2 374.551 0.330 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN(C)S(C)(=O)=O ZINC001109464091 845667090 /nfs/dbraw/zinc/66/70/90/845667090.db2.gz LHZGHQFQOIFMAS-ILXRZTDVSA-N 2 2 374.551 0.330 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN(C)S(C)(=O)=O ZINC001109464091 845667095 /nfs/dbraw/zinc/66/70/95/845667095.db2.gz LHZGHQFQOIFMAS-ILXRZTDVSA-N 2 2 374.551 0.330 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651198 845706165 /nfs/dbraw/zinc/70/61/65/845706165.db2.gz ONPNMVJUMSZWPF-PMPSAXMXSA-N 2 2 350.507 0.822 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651198 845706176 /nfs/dbraw/zinc/70/61/76/845706176.db2.gz ONPNMVJUMSZWPF-PMPSAXMXSA-N 2 2 350.507 0.822 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)F ZINC001109847929 845747459 /nfs/dbraw/zinc/74/74/59/845747459.db2.gz NXDYNJCLLLHOCQ-ILXRZTDVSA-N 2 2 361.433 0.712 20 0 FCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC(F)F ZINC001109847929 845747466 /nfs/dbraw/zinc/74/74/66/845747466.db2.gz NXDYNJCLLLHOCQ-ILXRZTDVSA-N 2 2 361.433 0.712 20 0 FCADLP CCS(=O)(=O)CC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276772740 861601286 /nfs/dbraw/zinc/60/12/86/861601286.db2.gz SVZWDSSVIPMJNX-MRXNPFEDSA-N 2 2 354.476 0.279 20 0 FCADLP CCS(=O)(=O)CC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001276772740 861601290 /nfs/dbraw/zinc/60/12/90/861601290.db2.gz SVZWDSSVIPMJNX-MRXNPFEDSA-N 2 2 354.476 0.279 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001109864431 845750570 /nfs/dbraw/zinc/75/05/70/845750570.db2.gz BUFLDNMYWGWZNN-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001109864431 845750575 /nfs/dbraw/zinc/75/05/75/845750575.db2.gz BUFLDNMYWGWZNN-IKGGRYGDSA-N 2 2 350.507 0.918 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109866563 845751591 /nfs/dbraw/zinc/75/15/91/845751591.db2.gz IMUFUPKTUALCQF-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109866563 845751595 /nfs/dbraw/zinc/75/15/95/845751595.db2.gz IMUFUPKTUALCQF-YVSFHVDLSA-N 2 2 371.547 0.875 20 0 FCADLP CCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976183 845770269 /nfs/dbraw/zinc/77/02/69/845770269.db2.gz VYIWVVJHLLISSG-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976183 845770273 /nfs/dbraw/zinc/77/02/73/845770273.db2.gz VYIWVVJHLLISSG-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109976183 845770275 /nfs/dbraw/zinc/77/02/75/845770275.db2.gz VYIWVVJHLLISSG-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109976183 845770278 /nfs/dbraw/zinc/77/02/78/845770278.db2.gz VYIWVVJHLLISSG-YVSFHVDLSA-N 2 2 350.507 0.966 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001110019440 845776739 /nfs/dbraw/zinc/77/67/39/845776739.db2.gz XQRTVYVPEZCBIF-PMPSAXMXSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCNS(=O)(=O)CC ZINC001110019440 845776744 /nfs/dbraw/zinc/77/67/44/845776744.db2.gz XQRTVYVPEZCBIF-PMPSAXMXSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)CC ZINC001110019440 845776749 /nfs/dbraw/zinc/77/67/49/845776749.db2.gz XQRTVYVPEZCBIF-PMPSAXMXSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)CC ZINC001110019440 845776753 /nfs/dbraw/zinc/77/67/53/845776753.db2.gz XQRTVYVPEZCBIF-PMPSAXMXSA-N 2 2 374.551 0.379 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(C)(=O)=O ZINC001110019332 845776823 /nfs/dbraw/zinc/77/68/23/845776823.db2.gz RORIJKSHKQEEQR-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCS(C)(=O)=O ZINC001110019332 845776827 /nfs/dbraw/zinc/77/68/27/845776827.db2.gz RORIJKSHKQEEQR-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(C)(=O)=O ZINC001110019332 845776835 /nfs/dbraw/zinc/77/68/35/845776835.db2.gz RORIJKSHKQEEQR-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(C)(=O)=O ZINC001110019332 845776838 /nfs/dbraw/zinc/77/68/38/845776838.db2.gz RORIJKSHKQEEQR-PMPSAXMXSA-N 2 2 359.536 0.875 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001110022510 845779041 /nfs/dbraw/zinc/77/90/41/845779041.db2.gz YZYWFABMSLNGMQ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N[C@H](C)C1CC1 ZINC001110022510 845779046 /nfs/dbraw/zinc/77/90/46/845779046.db2.gz YZYWFABMSLNGMQ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110022510 845779053 /nfs/dbraw/zinc/77/90/53/845779053.db2.gz YZYWFABMSLNGMQ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001110022510 845779056 /nfs/dbraw/zinc/77/90/56/845779056.db2.gz YZYWFABMSLNGMQ-SIXLDLHFSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103064 845791600 /nfs/dbraw/zinc/79/16/00/845791600.db2.gz CCFSMYAOYLXXTH-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103064 845791607 /nfs/dbraw/zinc/79/16/07/845791607.db2.gz CCFSMYAOYLXXTH-NCOADZHNSA-N 2 2 350.507 0.964 20 0 FCADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2)CS(C)(=O)=O ZINC001110664918 845942624 /nfs/dbraw/zinc/94/26/24/845942624.db2.gz FBZPUZGDSRXPEB-JJXSEGSLSA-N 2 2 371.547 0.873 20 0 FCADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2)CS(C)(=O)=O ZINC001110664918 845942631 /nfs/dbraw/zinc/94/26/31/845942631.db2.gz FBZPUZGDSRXPEB-JJXSEGSLSA-N 2 2 371.547 0.873 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001110734196 845963651 /nfs/dbraw/zinc/96/36/51/845963651.db2.gz BXIKJXZSQGKOFD-LPWJVIDDSA-N 2 2 353.467 0.022 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001110734196 845963657 /nfs/dbraw/zinc/96/36/57/845963657.db2.gz BXIKJXZSQGKOFD-LPWJVIDDSA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001110734196 845963664 /nfs/dbraw/zinc/96/36/64/845963664.db2.gz BXIKJXZSQGKOFD-LPWJVIDDSA-N 2 2 353.467 0.022 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001110734196 845963673 /nfs/dbraw/zinc/96/36/73/845963673.db2.gz BXIKJXZSQGKOFD-LPWJVIDDSA-N 2 2 353.467 0.022 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748891 845964382 /nfs/dbraw/zinc/96/43/82/845964382.db2.gz XDOPCFBIAMIRCF-FIRUKDTASA-N 2 2 352.435 0.079 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748891 845964386 /nfs/dbraw/zinc/96/43/86/845964386.db2.gz XDOPCFBIAMIRCF-FIRUKDTASA-N 2 2 352.435 0.079 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O)[NH+](C)C ZINC001111037291 846021009 /nfs/dbraw/zinc/02/10/09/846021009.db2.gz VDRBMRZMBPHWDX-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCS1(=O)=O)[NH+](C)C ZINC001111037291 846021014 /nfs/dbraw/zinc/02/10/14/846021014.db2.gz VDRBMRZMBPHWDX-WCVJEAGWSA-N 2 2 372.535 0.084 20 0 FCADLP CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825503 861634101 /nfs/dbraw/zinc/63/41/01/861634101.db2.gz UNKNJISFGHWWLE-CRAIPNDOSA-N 2 2 350.463 0.593 20 0 FCADLP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001276825503 861634104 /nfs/dbraw/zinc/63/41/04/861634104.db2.gz UNKNJISFGHWWLE-CRAIPNDOSA-N 2 2 350.463 0.593 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111171396 846054104 /nfs/dbraw/zinc/05/41/04/846054104.db2.gz BNVKWQWAONWZSR-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111171396 846054108 /nfs/dbraw/zinc/05/41/08/846054108.db2.gz BNVKWQWAONWZSR-DZUCGIPZSA-N 2 2 350.507 0.964 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274939 846075316 /nfs/dbraw/zinc/07/53/16/846075316.db2.gz NGNQYIGYIRXIFN-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274939 846075322 /nfs/dbraw/zinc/07/53/22/846075322.db2.gz NGNQYIGYIRXIFN-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274939 846075331 /nfs/dbraw/zinc/07/53/31/846075331.db2.gz NGNQYIGYIRXIFN-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274939 846075339 /nfs/dbraw/zinc/07/53/39/846075339.db2.gz NGNQYIGYIRXIFN-HZMVEIRTSA-N 2 2 371.547 0.875 20 0 FCADLP Cc1nnsc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111279740 846077081 /nfs/dbraw/zinc/07/70/81/846077081.db2.gz ILQBNXBRDGDPRV-MCIONIFRSA-N 2 2 353.492 0.646 20 0 FCADLP Cc1nnsc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111279740 846077085 /nfs/dbraw/zinc/07/70/85/846077085.db2.gz ILQBNXBRDGDPRV-MCIONIFRSA-N 2 2 353.492 0.646 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001111298815 846081024 /nfs/dbraw/zinc/08/10/24/846081024.db2.gz SEDGFRGQAWCNIH-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001111298815 846081027 /nfs/dbraw/zinc/08/10/27/846081027.db2.gz SEDGFRGQAWCNIH-ZACQAIPSSA-N 2 2 350.507 0.966 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111408188 846099864 /nfs/dbraw/zinc/09/98/64/846099864.db2.gz MFQYMHLYACRZRX-XZDPQHSOSA-N 2 2 368.503 0.594 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC001111408188 846099870 /nfs/dbraw/zinc/09/98/70/846099870.db2.gz MFQYMHLYACRZRX-XZDPQHSOSA-N 2 2 368.503 0.594 20 0 FCADLP CCS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407316 846100461 /nfs/dbraw/zinc/10/04/61/846100461.db2.gz QIEVVNFWNYTEFO-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407316 846100467 /nfs/dbraw/zinc/10/04/67/846100467.db2.gz QIEVVNFWNYTEFO-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407316 846100472 /nfs/dbraw/zinc/10/04/72/846100472.db2.gz QIEVVNFWNYTEFO-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CCS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407316 846100475 /nfs/dbraw/zinc/10/04/75/846100475.db2.gz QIEVVNFWNYTEFO-FPCVCCKLSA-N 2 2 357.520 0.484 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111463985 846118946 /nfs/dbraw/zinc/11/89/46/846118946.db2.gz CKGIHWZDQAKQBF-FPCVCCKLSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC001111463985 846118951 /nfs/dbraw/zinc/11/89/51/846118951.db2.gz CKGIHWZDQAKQBF-FPCVCCKLSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001111463985 846118956 /nfs/dbraw/zinc/11/89/56/846118956.db2.gz CKGIHWZDQAKQBF-FPCVCCKLSA-N 2 2 359.536 0.729 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CS(C)(=O)=O ZINC001111463985 846118960 /nfs/dbraw/zinc/11/89/60/846118960.db2.gz CKGIHWZDQAKQBF-FPCVCCKLSA-N 2 2 359.536 0.729 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658586 846168000 /nfs/dbraw/zinc/16/80/00/846168000.db2.gz GWVXLQRQKAFCEB-FCEWJHQRSA-N 2 2 350.507 0.968 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658586 846168007 /nfs/dbraw/zinc/16/80/07/846168007.db2.gz GWVXLQRQKAFCEB-FCEWJHQRSA-N 2 2 350.507 0.968 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658586 846168016 /nfs/dbraw/zinc/16/80/16/846168016.db2.gz GWVXLQRQKAFCEB-FCEWJHQRSA-N 2 2 350.507 0.968 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658586 846168023 /nfs/dbraw/zinc/16/80/23/846168023.db2.gz GWVXLQRQKAFCEB-FCEWJHQRSA-N 2 2 350.507 0.968 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111658824 846168541 /nfs/dbraw/zinc/16/85/41/846168541.db2.gz QSLJNEGVQMEFEF-UXLLHSPISA-N 2 2 357.520 0.486 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CCCS(C)(=O)=O)C2 ZINC001111658824 846168550 /nfs/dbraw/zinc/16/85/50/846168550.db2.gz QSLJNEGVQMEFEF-UXLLHSPISA-N 2 2 357.520 0.486 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCS(C)(=O)=O)C2 ZINC001111658824 846168558 /nfs/dbraw/zinc/16/85/58/846168558.db2.gz QSLJNEGVQMEFEF-UXLLHSPISA-N 2 2 357.520 0.486 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCCS(C)(=O)=O)C2 ZINC001111658824 846168565 /nfs/dbraw/zinc/16/85/65/846168565.db2.gz QSLJNEGVQMEFEF-UXLLHSPISA-N 2 2 357.520 0.486 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCC(F)F)C3)C1 ZINC001111678420 846173005 /nfs/dbraw/zinc/17/30/05/846173005.db2.gz CXBOZUWTYJFZBX-ZQIUZPCESA-N 2 2 361.433 0.569 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCC(F)F)C3)C1 ZINC001111678420 846173011 /nfs/dbraw/zinc/17/30/11/846173011.db2.gz CXBOZUWTYJFZBX-ZQIUZPCESA-N 2 2 361.433 0.569 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCC(F)F)C3)C1 ZINC001111678420 846173015 /nfs/dbraw/zinc/17/30/15/846173015.db2.gz CXBOZUWTYJFZBX-ZQIUZPCESA-N 2 2 361.433 0.569 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCC(F)F)C3)C1 ZINC001111678420 846173019 /nfs/dbraw/zinc/17/30/19/846173019.db2.gz CXBOZUWTYJFZBX-ZQIUZPCESA-N 2 2 361.433 0.569 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111824912 846223973 /nfs/dbraw/zinc/22/39/73/846223973.db2.gz COYPRMDVADSVQL-WMZOPIPTSA-N 2 2 350.463 0.907 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111824912 846223984 /nfs/dbraw/zinc/22/39/84/846223984.db2.gz COYPRMDVADSVQL-WMZOPIPTSA-N 2 2 350.463 0.907 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111899686 846251979 /nfs/dbraw/zinc/25/19/79/846251979.db2.gz SJYZYEDLRBFVCJ-MPGHIAIKSA-N 2 2 350.463 0.568 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111899686 846251991 /nfs/dbraw/zinc/25/19/91/846251991.db2.gz SJYZYEDLRBFVCJ-MPGHIAIKSA-N 2 2 350.463 0.568 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111899686 846252001 /nfs/dbraw/zinc/25/20/01/846252001.db2.gz SJYZYEDLRBFVCJ-MPGHIAIKSA-N 2 2 350.463 0.568 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCOCCO)C2 ZINC001111899686 846252011 /nfs/dbraw/zinc/25/20/11/846252011.db2.gz SJYZYEDLRBFVCJ-MPGHIAIKSA-N 2 2 350.463 0.568 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001111984771 846281908 /nfs/dbraw/zinc/28/19/08/846281908.db2.gz OAIKEAWPADJXKQ-BQFCYCMXSA-N 2 2 371.547 0.734 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001111984771 846281922 /nfs/dbraw/zinc/28/19/22/846281922.db2.gz OAIKEAWPADJXKQ-BQFCYCMXSA-N 2 2 371.547 0.734 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984695 846282501 /nfs/dbraw/zinc/28/25/01/846282501.db2.gz KNEVKKKEEYBXQX-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984695 846282514 /nfs/dbraw/zinc/28/25/14/846282514.db2.gz KNEVKKKEEYBXQX-BXWFABGCSA-N 2 2 350.507 0.968 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112070871 846348619 /nfs/dbraw/zinc/34/86/19/846348619.db2.gz JHJBMPWOBIWZAH-IJLUTSLNSA-N 2 2 371.425 0.104 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112070871 846348627 /nfs/dbraw/zinc/34/86/27/846348627.db2.gz JHJBMPWOBIWZAH-IJLUTSLNSA-N 2 2 371.425 0.104 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075463 846354064 /nfs/dbraw/zinc/35/40/64/846354064.db2.gz CZPZNDBQBPJLBQ-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075463 846354070 /nfs/dbraw/zinc/35/40/70/846354070.db2.gz CZPZNDBQBPJLBQ-JHJVBQTASA-N 2 2 353.385 0.332 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112112580 846393358 /nfs/dbraw/zinc/39/33/58/846393358.db2.gz NTMBKGQXCIUFCJ-YNEHKIRRSA-N 2 2 364.368 0.329 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112112580 846393371 /nfs/dbraw/zinc/39/33/71/846393371.db2.gz NTMBKGQXCIUFCJ-YNEHKIRRSA-N 2 2 364.368 0.329 20 0 FCADLP CCOC(=O)CCCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001276888484 861672053 /nfs/dbraw/zinc/67/20/53/861672053.db2.gz CXRGOTWPTGFWLI-DLBZAZTESA-N 2 2 361.433 0.856 20 0 FCADLP CCOC(=O)CCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001276888484 861672060 /nfs/dbraw/zinc/67/20/60/861672060.db2.gz CXRGOTWPTGFWLI-DLBZAZTESA-N 2 2 361.433 0.856 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112123721 846401675 /nfs/dbraw/zinc/40/16/75/846401675.db2.gz YFBGZZHDOAQXNV-IACUBPJLSA-N 2 2 360.380 0.807 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001112200000 846458152 /nfs/dbraw/zinc/45/81/52/846458152.db2.gz GXYXZLSTBWXAPS-VXGBXAGGSA-N 2 2 361.368 0.078 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F)C(N)=O ZINC001112215390 846471460 /nfs/dbraw/zinc/47/14/60/846471460.db2.gz COYOXZYWSFNIPV-IJLUTSLNSA-N 2 2 361.368 0.516 20 0 FCADLP C[C@H](O)CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)CO ZINC001116719669 846746347 /nfs/dbraw/zinc/74/63/47/846746347.db2.gz NPMCXQMISHTTGF-GJZGRUSLSA-N 2 2 356.511 0.318 20 0 FCADLP C[C@@H]1C[C@H](C)CN1C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001117141200 846908995 /nfs/dbraw/zinc/90/89/95/846908995.db2.gz RPXHMHUASJSPMJ-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118107857 847282587 /nfs/dbraw/zinc/28/25/87/847282587.db2.gz XNMMXQWVQXFVLZ-YESZJQIVSA-N 2 2 350.507 0.774 20 0 FCADLP CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118107857 847282597 /nfs/dbraw/zinc/28/25/97/847282597.db2.gz XNMMXQWVQXFVLZ-YESZJQIVSA-N 2 2 350.507 0.774 20 0 FCADLP COCCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001118198101 847321584 /nfs/dbraw/zinc/32/15/84/847321584.db2.gz GSKNVSDATWNQCQ-KGLIPLIRSA-N 2 2 351.451 0.339 20 0 FCADLP COCCc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC001118198101 847321592 /nfs/dbraw/zinc/32/15/92/847321592.db2.gz GSKNVSDATWNQCQ-KGLIPLIRSA-N 2 2 351.451 0.339 20 0 FCADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(NS(C)(=O)=O)c1 ZINC001118609033 847496136 /nfs/dbraw/zinc/49/61/36/847496136.db2.gz NBDMZLCBQQYPIR-SNVBAGLBSA-N 2 2 351.432 0.863 20 0 FCADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(NS(C)(=O)=O)c1 ZINC001118609027 847496312 /nfs/dbraw/zinc/49/63/12/847496312.db2.gz NBDMZLCBQQYPIR-JTQLQIEISA-N 2 2 351.432 0.863 20 0 FCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC001119237838 847784403 /nfs/dbraw/zinc/78/44/03/847784403.db2.gz NNYYFPZLZGRYQJ-ZDUSSCGKSA-N 2 2 352.460 0.587 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CF)C3)C2)CC1 ZINC001119474907 847855793 /nfs/dbraw/zinc/85/57/93/847855793.db2.gz PPXSXOYSIWHLQQ-GJZGRUSLSA-N 2 2 354.470 0.479 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CF)C3)C2)CC1 ZINC001119474907 847855797 /nfs/dbraw/zinc/85/57/97/847855797.db2.gz PPXSXOYSIWHLQQ-GJZGRUSLSA-N 2 2 354.470 0.479 20 0 FCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)on1 ZINC001119517462 847870955 /nfs/dbraw/zinc/87/09/55/847870955.db2.gz UOTMTQYJVSZGJN-CQSZACIVSA-N 2 2 352.435 0.347 20 0 FCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001120610159 848253352 /nfs/dbraw/zinc/25/33/52/848253352.db2.gz KJBYSYGRPMULPH-RCCFBDPRSA-N 2 2 369.531 0.929 20 0 FCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001120610159 848253359 /nfs/dbraw/zinc/25/33/59/848253359.db2.gz KJBYSYGRPMULPH-RCCFBDPRSA-N 2 2 369.531 0.929 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H]1CN(C)CC[NH+]1C ZINC001123794846 848639324 /nfs/dbraw/zinc/63/93/24/848639324.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H]1CN(C)CC[NH+]1C ZINC001123794846 848639327 /nfs/dbraw/zinc/63/93/27/848639327.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001123794846 848639330 /nfs/dbraw/zinc/63/93/30/848639330.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 2 351.539 0.994 20 0 FCADLP C[C@H](NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC001123794846 848639333 /nfs/dbraw/zinc/63/93/33/848639333.db2.gz OBZPZIOPLIPFPL-CGTJXYLNSA-N 2 2 351.539 0.994 20 0 FCADLP O=C(NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892882 848908528 /nfs/dbraw/zinc/90/85/28/848908528.db2.gz DIYJHGVYKIWSAY-GMTAPVOTSA-N 2 2 359.352 0.382 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001130047769 848936476 /nfs/dbraw/zinc/93/64/76/848936476.db2.gz RVVFIFHITXEYTQ-KGLIPLIRSA-N 2 2 364.479 0.013 20 0 FCADLP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]1 ZINC001130232209 848982517 /nfs/dbraw/zinc/98/25/17/848982517.db2.gz CSMIBDSSRYOODG-KCQAQPDRSA-N 2 2 352.483 0.489 20 0 FCADLP CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[NH+](CC)CC)n[nH]1 ZINC001130242425 848986902 /nfs/dbraw/zinc/98/69/02/848986902.db2.gz WLEWGJMRXDPFGN-KBPBESRZSA-N 2 2 352.483 0.635 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@H+](C)C3CCC3)n[nH]2)O1 ZINC001130790197 849043547 /nfs/dbraw/zinc/04/35/47/849043547.db2.gz MGICGGZOGANSKK-UONOGXRCSA-N 2 2 350.467 0.735 20 0 FCADLP CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[N@@H+](C)C3CCC3)n[nH]2)O1 ZINC001130790197 849043554 /nfs/dbraw/zinc/04/35/54/849043554.db2.gz MGICGGZOGANSKK-UONOGXRCSA-N 2 2 350.467 0.735 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001131510400 849115461 /nfs/dbraw/zinc/11/54/61/849115461.db2.gz GMJOZRTUZLVHFX-AEFFLSMTSA-N 2 2 350.463 0.974 20 0 FCADLP COCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001131510400 849115467 /nfs/dbraw/zinc/11/54/67/849115467.db2.gz GMJOZRTUZLVHFX-AEFFLSMTSA-N 2 2 350.463 0.974 20 0 FCADLP COC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131582855 849126779 /nfs/dbraw/zinc/12/67/79/849126779.db2.gz CRWLHCHADUOQIJ-SIIHOXLZSA-N 2 2 350.463 0.973 20 0 FCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)NCC(F)(F)F ZINC001134045936 849171098 /nfs/dbraw/zinc/17/10/98/849171098.db2.gz RRABBPQTABWRQB-GMTAPVOTSA-N 2 2 361.368 0.296 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CC3)COCC(=O)N4)s2)CC1 ZINC001139321684 849336318 /nfs/dbraw/zinc/33/63/18/849336318.db2.gz KTWDYTVNJUASEO-UHFFFAOYSA-N 2 2 365.503 0.376 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CC3)NC(=O)NC4=O)s2)CC1 ZINC001139325077 849336918 /nfs/dbraw/zinc/33/69/18/849336918.db2.gz AXWUKSZIDZXTRU-UHFFFAOYSA-N 2 2 364.475 0.069 20 0 FCADLP CCOCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001142521681 849447670 /nfs/dbraw/zinc/44/76/70/849447670.db2.gz BDZBFQKZOUVRRL-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CCOCCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001142521681 849447673 /nfs/dbraw/zinc/44/76/73/849447673.db2.gz BDZBFQKZOUVRRL-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[N@H+](C)C(C)C ZINC001142584241 849452540 /nfs/dbraw/zinc/45/25/40/849452540.db2.gz OSICFRBMYKAQDK-YJBOKZPZSA-N 2 2 355.479 0.582 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001142584241 849452544 /nfs/dbraw/zinc/45/25/44/849452544.db2.gz OSICFRBMYKAQDK-YJBOKZPZSA-N 2 2 355.479 0.582 20 0 FCADLP CC(C)[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001142767442 849460644 /nfs/dbraw/zinc/46/06/44/849460644.db2.gz HXHCPNOLFRLVJA-INIZCTEOSA-N 2 2 374.551 0.235 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccn1)C2 ZINC001277753372 862054837 /nfs/dbraw/zinc/05/48/37/862054837.db2.gz OQYHVJVLYCMLLT-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccn1)C2 ZINC001277753372 862054847 /nfs/dbraw/zinc/05/48/47/862054847.db2.gz OQYHVJVLYCMLLT-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)C1(CNc2nc(Cl)nc(N3CCOCC3)n2)CC[NH+](C)CC1 ZINC001156176872 849892890 /nfs/dbraw/zinc/89/28/90/849892890.db2.gz VNFXHQKXHQQESF-UHFFFAOYSA-N 2 2 369.901 0.800 20 0 FCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)n[nH]1 ZINC001157439522 849972984 /nfs/dbraw/zinc/97/29/84/849972984.db2.gz IYGDFNQOFDZNCL-QMMMGPOBSA-N 2 2 363.344 0.121 20 0 FCADLP O=C(N1CCC(COCC[NH+]2CCCC2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157626981 849985879 /nfs/dbraw/zinc/98/58/79/849985879.db2.gz KQAWWENEKZQXGP-MJGOQNOKSA-N 3 2 350.507 0.289 20 0 FCADLP CCC(CC)NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158209339 850024441 /nfs/dbraw/zinc/02/44/41/850024441.db2.gz RJKOADDEFWQTAU-GFCCVEGCSA-N 2 2 367.475 0.596 20 0 FCADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158257477 850029122 /nfs/dbraw/zinc/02/91/22/850029122.db2.gz WRWIZMJVZOFMGU-OWCLPIDISA-N 2 2 350.463 0.257 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001159076572 850094307 /nfs/dbraw/zinc/09/43/07/850094307.db2.gz JHEKUTRRGGOHNX-BORJPKMPSA-N 2 2 353.463 0.369 20 0 FCADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@H]([NH3+])C(=O)OC)C2 ZINC001159481383 850117834 /nfs/dbraw/zinc/11/78/34/850117834.db2.gz NGHWZSQDEPIUEY-RVKKMQEKSA-N 2 2 353.463 0.084 20 0 FCADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@H]([NH3+])C(=O)OC)C2 ZINC001159481383 850117844 /nfs/dbraw/zinc/11/78/44/850117844.db2.gz NGHWZSQDEPIUEY-RVKKMQEKSA-N 2 2 353.463 0.084 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832231 850139129 /nfs/dbraw/zinc/13/91/29/850139129.db2.gz BGKORXYDRPDRKS-SNPRPXQTSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832231 850139110 /nfs/dbraw/zinc/13/91/10/850139110.db2.gz BGKORXYDRPDRKS-SNPRPXQTSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832231 850139116 /nfs/dbraw/zinc/13/91/16/850139116.db2.gz BGKORXYDRPDRKS-SNPRPXQTSA-N 2 2 360.487 0.859 20 0 FCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832231 850139121 /nfs/dbraw/zinc/13/91/21/850139121.db2.gz BGKORXYDRPDRKS-SNPRPXQTSA-N 2 2 360.487 0.859 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159834658 850139541 /nfs/dbraw/zinc/13/95/41/850139541.db2.gz WFYDWUSVLOLVDT-GVRJEKJASA-N 3 2 361.515 0.516 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159834658 850139545 /nfs/dbraw/zinc/13/95/45/850139545.db2.gz WFYDWUSVLOLVDT-GVRJEKJASA-N 3 2 361.515 0.516 20 0 FCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794385 862098067 /nfs/dbraw/zinc/09/80/67/862098067.db2.gz HXOPSDHQRJFYJO-FUHWJXTLSA-N 2 2 350.463 0.630 20 0 FCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001277794385 862098079 /nfs/dbraw/zinc/09/80/79/862098079.db2.gz HXOPSDHQRJFYJO-FUHWJXTLSA-N 2 2 350.463 0.630 20 0 FCADLP COc1ccc(CN(C)C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)c(OC)c1 ZINC001160675632 850191420 /nfs/dbraw/zinc/19/14/20/850191420.db2.gz HZTWJILQWJKODC-MRXNPFEDSA-N 2 2 350.463 0.413 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160911218 850211943 /nfs/dbraw/zinc/21/19/43/850211943.db2.gz CAHCOVASAGCPNI-WCFLWFBJSA-N 2 2 351.838 0.450 20 0 FCADLP CCC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802686 862105608 /nfs/dbraw/zinc/10/56/08/862105608.db2.gz RJCKGXWEWCPROY-AEFFLSMTSA-N 2 2 350.463 0.632 20 0 FCADLP CCC[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802686 862105620 /nfs/dbraw/zinc/10/56/20/862105620.db2.gz RJCKGXWEWCPROY-AEFFLSMTSA-N 2 2 350.463 0.632 20 0 FCADLP CCC[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802687 862105951 /nfs/dbraw/zinc/10/59/51/862105951.db2.gz RJCKGXWEWCPROY-FUHWJXTLSA-N 2 2 350.463 0.632 20 0 FCADLP CCC[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001277802687 862105958 /nfs/dbraw/zinc/10/59/58/862105958.db2.gz RJCKGXWEWCPROY-FUHWJXTLSA-N 2 2 350.463 0.632 20 0 FCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161153070 850234208 /nfs/dbraw/zinc/23/42/08/850234208.db2.gz XWUHPWBUZCSPFH-QWRGUYRKSA-N 3 2 358.368 0.127 20 0 FCADLP CS(=O)(=O)c1cccc(C2CCN(C(=O)C3([NH3+])CC[NH2+]CC3)CC2)c1 ZINC001161367679 850253922 /nfs/dbraw/zinc/25/39/22/850253922.db2.gz PGAAOFTXBLWRHV-UHFFFAOYSA-N 2 2 365.499 0.877 20 0 FCADLP CS(=O)(=O)c1cccc(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)c1 ZINC001161367938 850254574 /nfs/dbraw/zinc/25/45/74/850254574.db2.gz YYXWZXOPTVEMKY-HOTGVXAUSA-N 2 2 351.472 0.343 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837493 862124762 /nfs/dbraw/zinc/12/47/62/862124762.db2.gz YSVOZSOBRXKJNM-IEBWSBKVSA-N 2 2 353.507 0.959 20 0 FCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC=C(C)C)C(=O)CO2 ZINC001277837493 862124771 /nfs/dbraw/zinc/12/47/71/862124771.db2.gz YSVOZSOBRXKJNM-IEBWSBKVSA-N 2 2 353.507 0.959 20 0 FCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001164308340 850405031 /nfs/dbraw/zinc/40/50/31/850405031.db2.gz FQIGSAZUVUUYJK-BBRMVZONSA-N 2 2 367.471 0.528 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(I)c(N)n2)CC1 ZINC001168736398 850592435 /nfs/dbraw/zinc/59/24/35/850592435.db2.gz LWMXFQOVLSBAFN-UHFFFAOYSA-N 2 2 360.203 0.862 20 0 FCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC001168736818 850592541 /nfs/dbraw/zinc/59/25/41/850592541.db2.gz LIGSTTAFCITALV-UHFFFAOYSA-N 2 2 365.381 0.947 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Br)cc2c1NC(=O)C2 ZINC001169074319 850603956 /nfs/dbraw/zinc/60/39/56/850603956.db2.gz JQIUUMQKNBGXJJ-SNVBAGLBSA-N 2 2 351.204 0.992 20 0 FCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(cc1Br)CNC2=O ZINC001169076140 850605807 /nfs/dbraw/zinc/60/58/07/850605807.db2.gz PCGSLANNBYOAIZ-SECBINFHSA-N 2 2 351.204 0.740 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169130891 850606478 /nfs/dbraw/zinc/60/64/78/850606478.db2.gz PKMCPNDRTCAFLG-HZMVEIRTSA-N 2 2 351.491 0.998 20 0 FCADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169130891 850606490 /nfs/dbraw/zinc/60/64/90/850606490.db2.gz PKMCPNDRTCAFLG-HZMVEIRTSA-N 2 2 351.491 0.998 20 0 FCADLP C[C@H](CCCC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175356982 850762927 /nfs/dbraw/zinc/76/29/27/850762927.db2.gz BCRNRRPURNFBTR-RBSFLKMASA-N 2 2 370.519 0.833 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC001176381061 850788457 /nfs/dbraw/zinc/78/84/57/850788457.db2.gz VUDWXCVGGJIXRN-MRXNPFEDSA-N 2 2 351.451 0.074 20 0 FCADLP COCCC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC001176381061 850788461 /nfs/dbraw/zinc/78/84/61/850788461.db2.gz VUDWXCVGGJIXRN-MRXNPFEDSA-N 2 2 351.451 0.074 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001180389428 851034288 /nfs/dbraw/zinc/03/42/88/851034288.db2.gz XGBAENZELZDCAZ-QAPCUYQASA-N 2 2 355.479 0.583 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001180389430 851034685 /nfs/dbraw/zinc/03/46/85/851034685.db2.gz XGBAENZELZDCAZ-YJBOKZPZSA-N 2 2 355.479 0.583 20 0 FCADLP C[C@@H](C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)[NH+]1CCCC1 ZINC001180580244 851047595 /nfs/dbraw/zinc/04/75/95/851047595.db2.gz QQMRGOZKNUGMQH-NSHDSACASA-N 2 2 356.448 0.093 20 0 FCADLP CO[C@@H](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001181566400 851121917 /nfs/dbraw/zinc/12/19/17/851121917.db2.gz PBQIAKXOZBWHEM-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP CO[C@@H](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001181566400 851121924 /nfs/dbraw/zinc/12/19/24/851121924.db2.gz PBQIAKXOZBWHEM-HNNXBMFYSA-N 2 2 354.495 0.108 20 0 FCADLP C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001185235006 851343414 /nfs/dbraw/zinc/34/34/14/851343414.db2.gz HBUIXIBARNWMNI-ZFWWWQNUSA-N 2 2 360.483 0.978 20 0 FCADLP C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001185235006 851343418 /nfs/dbraw/zinc/34/34/18/851343418.db2.gz HBUIXIBARNWMNI-ZFWWWQNUSA-N 2 2 360.483 0.978 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CCC4)C[C@H]32)C1 ZINC001187432277 851565247 /nfs/dbraw/zinc/56/52/47/851565247.db2.gz OAFUIBPIORTTGM-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCC4CCC4)C[C@H]32)C1 ZINC001187432277 851565253 /nfs/dbraw/zinc/56/52/53/851565253.db2.gz OAFUIBPIORTTGM-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCC4CCC4)C[C@H]32)C1 ZINC001187432277 851565255 /nfs/dbraw/zinc/56/52/55/851565255.db2.gz OAFUIBPIORTTGM-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCC4CCC4)C[C@H]32)C1 ZINC001187432277 851565262 /nfs/dbraw/zinc/56/52/62/851565262.db2.gz OAFUIBPIORTTGM-RCCFBDPRSA-N 2 2 351.491 0.666 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219223 851660034 /nfs/dbraw/zinc/66/00/34/851660034.db2.gz IGFIZBQHWHCYMG-YQQAZPJKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219223 851660040 /nfs/dbraw/zinc/66/00/40/851660040.db2.gz IGFIZBQHWHCYMG-YQQAZPJKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219223 851660044 /nfs/dbraw/zinc/66/00/44/851660044.db2.gz IGFIZBQHWHCYMG-YQQAZPJKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219223 851660051 /nfs/dbraw/zinc/66/00/51/851660051.db2.gz IGFIZBQHWHCYMG-YQQAZPJKSA-N 2 2 350.507 0.918 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCS(=O)(=O)CC)C[C@H]21)[NH+](C)C ZINC001188322895 851670017 /nfs/dbraw/zinc/67/00/17/851670017.db2.gz OGYMSJMYZDQKIS-ARFHVFGLSA-N 2 2 359.536 0.684 20 0 FCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCS(=O)(=O)CC)C[C@H]21)[NH+](C)C ZINC001188322895 851670020 /nfs/dbraw/zinc/67/00/20/851670020.db2.gz OGYMSJMYZDQKIS-ARFHVFGLSA-N 2 2 359.536 0.684 20 0 FCADLP C[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001188724651 851723231 /nfs/dbraw/zinc/72/32/31/851723231.db2.gz ZCHLBCCTHZFGMQ-HRCADAONSA-N 2 2 368.503 0.487 20 0 FCADLP C[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1)CS(C)(=O)=O ZINC001188724651 851723239 /nfs/dbraw/zinc/72/32/39/851723239.db2.gz ZCHLBCCTHZFGMQ-HRCADAONSA-N 2 2 368.503 0.487 20 0 FCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1[nH]ncc1I ZINC001189140453 851758152 /nfs/dbraw/zinc/75/81/52/851758152.db2.gz DFVKRTKCBULVRS-UHFFFAOYSA-N 2 2 350.164 0.089 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382626 851784681 /nfs/dbraw/zinc/78/46/81/851784681.db2.gz MPWFOXNJNPADOG-YQQAZPJKSA-N 2 2 350.463 0.784 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001189382626 851784686 /nfs/dbraw/zinc/78/46/86/851784686.db2.gz MPWFOXNJNPADOG-YQQAZPJKSA-N 2 2 350.463 0.784 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382626 851784693 /nfs/dbraw/zinc/78/46/93/851784693.db2.gz MPWFOXNJNPADOG-YQQAZPJKSA-N 2 2 350.463 0.784 20 0 FCADLP COCCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189382626 851784697 /nfs/dbraw/zinc/78/46/97/851784697.db2.gz MPWFOXNJNPADOG-YQQAZPJKSA-N 2 2 350.463 0.784 20 0 FCADLP CC(C)CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899426 851980060 /nfs/dbraw/zinc/98/00/60/851980060.db2.gz JYPYOBRZKMAOPB-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899426 851980065 /nfs/dbraw/zinc/98/00/65/851980065.db2.gz JYPYOBRZKMAOPB-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899426 851980070 /nfs/dbraw/zinc/98/00/70/851980070.db2.gz JYPYOBRZKMAOPB-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899426 851980075 /nfs/dbraw/zinc/98/00/75/851980075.db2.gz JYPYOBRZKMAOPB-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384329 852417712 /nfs/dbraw/zinc/41/77/12/852417712.db2.gz KWUVJPZKEXLWKY-HUUCEWRRSA-N 2 2 371.503 0.248 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384329 852417721 /nfs/dbraw/zinc/41/77/21/852417721.db2.gz KWUVJPZKEXLWKY-HUUCEWRRSA-N 2 2 371.503 0.248 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001194102696 852537223 /nfs/dbraw/zinc/53/72/23/852537223.db2.gz MOMZHDAUESKFJB-BZUAXINKSA-N 2 2 353.438 0.706 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1O)[NH+](C)C ZINC001194102696 852537230 /nfs/dbraw/zinc/53/72/30/852537230.db2.gz MOMZHDAUESKFJB-BZUAXINKSA-N 2 2 353.438 0.706 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001194258154 852567523 /nfs/dbraw/zinc/56/75/23/852567523.db2.gz CDDDKYLHEJPCFX-ZIAGYGMSSA-N 2 2 357.886 0.428 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001194258154 852567526 /nfs/dbraw/zinc/56/75/26/852567526.db2.gz CDDDKYLHEJPCFX-ZIAGYGMSSA-N 2 2 357.886 0.428 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001194258154 852567529 /nfs/dbraw/zinc/56/75/29/852567529.db2.gz CDDDKYLHEJPCFX-ZIAGYGMSSA-N 2 2 357.886 0.428 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1O ZINC001194258154 852567531 /nfs/dbraw/zinc/56/75/31/852567531.db2.gz CDDDKYLHEJPCFX-ZIAGYGMSSA-N 2 2 357.886 0.428 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001194909354 852671627 /nfs/dbraw/zinc/67/16/27/852671627.db2.gz NYBIFUKAZBLBSX-ARFHVFGLSA-N 2 2 350.463 0.473 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001194909354 852671629 /nfs/dbraw/zinc/67/16/29/852671629.db2.gz NYBIFUKAZBLBSX-ARFHVFGLSA-N 2 2 350.463 0.473 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195870777 852837803 /nfs/dbraw/zinc/83/78/03/852837803.db2.gz LIQGRVLOBUXZEO-BZUAXINKSA-N 2 2 357.401 0.111 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C[C@H]1O ZINC001195870777 852837810 /nfs/dbraw/zinc/83/78/10/852837810.db2.gz LIQGRVLOBUXZEO-BZUAXINKSA-N 2 2 357.401 0.111 20 0 FCADLP COCCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894136 852843841 /nfs/dbraw/zinc/84/38/41/852843841.db2.gz SMHSLURDMGBLGE-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCCCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894136 852843848 /nfs/dbraw/zinc/84/38/48/852843848.db2.gz SMHSLURDMGBLGE-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894136 852843856 /nfs/dbraw/zinc/84/38/56/852843856.db2.gz SMHSLURDMGBLGE-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COCCCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894136 852843864 /nfs/dbraw/zinc/84/38/64/852843864.db2.gz SMHSLURDMGBLGE-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)C[C@H]1O ZINC001197034511 853051748 /nfs/dbraw/zinc/05/17/48/853051748.db2.gz QOZMFADFOAZMCS-HZPDHXFCSA-N 2 2 353.438 0.837 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001197138421 853064636 /nfs/dbraw/zinc/06/46/36/853064636.db2.gz BELHLMWCQXXIDG-MGPQQGTHSA-N 2 2 367.412 0.193 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]2O)CC1 ZINC001197138421 853064645 /nfs/dbraw/zinc/06/46/45/853064645.db2.gz BELHLMWCQXXIDG-MGPQQGTHSA-N 2 2 367.412 0.193 20 0 FCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)ccn1 ZINC001197950224 853191052 /nfs/dbraw/zinc/19/10/52/853191052.db2.gz XDNULOHANDPVTC-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C2)ccn1 ZINC001197950224 853191057 /nfs/dbraw/zinc/19/10/57/853191057.db2.gz XDNULOHANDPVTC-HZPDHXFCSA-N 2 2 350.463 0.483 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001198038050 853209415 /nfs/dbraw/zinc/20/94/15/853209415.db2.gz HVYCUKNFZLOQLK-CHWSQXEVSA-N 2 2 355.401 0.459 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCC(F)(F)F)C[C@H]1O ZINC001198038050 853209424 /nfs/dbraw/zinc/20/94/24/853209424.db2.gz HVYCUKNFZLOQLK-CHWSQXEVSA-N 2 2 355.401 0.459 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001198038050 853209435 /nfs/dbraw/zinc/20/94/35/853209435.db2.gz HVYCUKNFZLOQLK-CHWSQXEVSA-N 2 2 355.401 0.459 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1O ZINC001198038050 853209446 /nfs/dbraw/zinc/20/94/46/853209446.db2.gz HVYCUKNFZLOQLK-CHWSQXEVSA-N 2 2 355.401 0.459 20 0 FCADLP Cc1ncsc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292166 853245226 /nfs/dbraw/zinc/24/52/26/853245226.db2.gz KGBDEKDYBQJTLF-HUUCEWRRSA-N 2 2 363.487 0.522 20 0 FCADLP Cc1ncsc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292166 853245231 /nfs/dbraw/zinc/24/52/31/853245231.db2.gz KGBDEKDYBQJTLF-HUUCEWRRSA-N 2 2 363.487 0.522 20 0 FCADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729510 853309097 /nfs/dbraw/zinc/30/90/97/853309097.db2.gz PZJGDQAQXBZOIF-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729510 853309103 /nfs/dbraw/zinc/30/91/03/853309103.db2.gz PZJGDQAQXBZOIF-IAGOWNOFSA-N 2 2 350.463 0.910 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104833 853371887 /nfs/dbraw/zinc/37/18/87/853371887.db2.gz VFQOLUFJOJBDNX-RRFJBIMHSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199104833 853371898 /nfs/dbraw/zinc/37/18/98/853371898.db2.gz VFQOLUFJOJBDNX-RRFJBIMHSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199104833 853371910 /nfs/dbraw/zinc/37/19/10/853371910.db2.gz VFQOLUFJOJBDNX-RRFJBIMHSA-N 2 2 356.511 0.181 20 0 FCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104833 853371919 /nfs/dbraw/zinc/37/19/19/853371919.db2.gz VFQOLUFJOJBDNX-RRFJBIMHSA-N 2 2 356.511 0.181 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001199958656 853469238 /nfs/dbraw/zinc/46/92/38/853469238.db2.gz IHMFIHPJHUKERM-KRWDZBQOSA-N 2 2 363.531 0.842 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001199958656 853469243 /nfs/dbraw/zinc/46/92/43/853469243.db2.gz IHMFIHPJHUKERM-KRWDZBQOSA-N 2 2 363.531 0.842 20 0 FCADLP CS(=O)(=O)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487359 853615239 /nfs/dbraw/zinc/61/52/39/853615239.db2.gz CCBDUUDFZTUMEV-HUUCEWRRSA-N 2 2 368.503 0.776 20 0 FCADLP CS(=O)(=O)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487359 853615242 /nfs/dbraw/zinc/61/52/42/853615242.db2.gz CCBDUUDFZTUMEV-HUUCEWRRSA-N 2 2 368.503 0.776 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)nn3)C[C@H]21 ZINC001278793976 862483657 /nfs/dbraw/zinc/48/36/57/862483657.db2.gz KQKHTBIUALCKSI-KGLIPLIRSA-N 2 2 359.396 0.942 20 0 FCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)nn3)C[C@H]21 ZINC001278793976 862483661 /nfs/dbraw/zinc/48/36/61/862483661.db2.gz KQKHTBIUALCKSI-KGLIPLIRSA-N 2 2 359.396 0.942 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955579 853764619 /nfs/dbraw/zinc/76/46/19/853764619.db2.gz YPHRFXIVTZKLMU-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955579 853764623 /nfs/dbraw/zinc/76/46/23/853764623.db2.gz YPHRFXIVTZKLMU-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955579 853764628 /nfs/dbraw/zinc/76/46/28/853764628.db2.gz YPHRFXIVTZKLMU-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001206955579 853764633 /nfs/dbraw/zinc/76/46/33/853764633.db2.gz YPHRFXIVTZKLMU-OAGGEKHMSA-N 2 2 359.536 0.730 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC001207263294 853795351 /nfs/dbraw/zinc/79/53/51/853795351.db2.gz QNLCEXHICRALFX-BZUAXINKSA-N 2 2 358.502 0.875 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC001207263294 853795357 /nfs/dbraw/zinc/79/53/57/853795357.db2.gz QNLCEXHICRALFX-BZUAXINKSA-N 2 2 358.502 0.875 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545007 853822486 /nfs/dbraw/zinc/82/24/86/853822486.db2.gz AAWXUNVQBPSLOA-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545007 853822490 /nfs/dbraw/zinc/82/24/90/853822490.db2.gz AAWXUNVQBPSLOA-HUUCEWRRSA-N 2 2 354.495 0.060 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750053 853854587 /nfs/dbraw/zinc/85/45/87/853854587.db2.gz JKRUHYQBBAAGCS-RBSFLKMASA-N 2 2 361.552 0.834 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750053 853854590 /nfs/dbraw/zinc/85/45/90/853854590.db2.gz JKRUHYQBBAAGCS-RBSFLKMASA-N 2 2 361.552 0.834 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750053 853854596 /nfs/dbraw/zinc/85/45/96/853854596.db2.gz JKRUHYQBBAAGCS-RBSFLKMASA-N 2 2 361.552 0.834 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC001207750053 853854602 /nfs/dbraw/zinc/85/46/02/853854602.db2.gz JKRUHYQBBAAGCS-RBSFLKMASA-N 2 2 361.552 0.834 20 0 FCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495946 853943490 /nfs/dbraw/zinc/94/34/90/853943490.db2.gz DVQWJLVIBUFOKP-GRYCIOLGSA-N 2 2 352.401 0.442 20 0 FCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495946 853943493 /nfs/dbraw/zinc/94/34/93/853943493.db2.gz DVQWJLVIBUFOKP-GRYCIOLGSA-N 2 2 352.401 0.442 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1)c1ccco1 ZINC001208496203 853943566 /nfs/dbraw/zinc/94/35/66/853943566.db2.gz MCHFXWOWJZFFQV-QLFBSQMISA-N 2 2 350.463 0.845 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1)c1ccco1 ZINC001208496203 853943570 /nfs/dbraw/zinc/94/35/70/853943570.db2.gz MCHFXWOWJZFFQV-QLFBSQMISA-N 2 2 350.463 0.845 20 0 FCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609518 853959183 /nfs/dbraw/zinc/95/91/83/853959183.db2.gz MEUFYWPFKCBDIY-IXYNUQLISA-N 2 2 350.488 0.914 20 0 FCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609518 853959187 /nfs/dbraw/zinc/95/91/87/853959187.db2.gz MEUFYWPFKCBDIY-IXYNUQLISA-N 2 2 350.488 0.914 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609518 853959191 /nfs/dbraw/zinc/95/91/91/853959191.db2.gz MEUFYWPFKCBDIY-IXYNUQLISA-N 2 2 350.488 0.914 20 0 FCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)C1 ZINC001208609518 853959196 /nfs/dbraw/zinc/95/91/96/853959196.db2.gz MEUFYWPFKCBDIY-IXYNUQLISA-N 2 2 350.488 0.914 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001209497984 854031173 /nfs/dbraw/zinc/03/11/73/854031173.db2.gz BMTCKNDADKELMF-GDBMZVCRSA-N 2 2 370.519 0.843 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C ZINC001209497984 854031183 /nfs/dbraw/zinc/03/11/83/854031183.db2.gz BMTCKNDADKELMF-GDBMZVCRSA-N 2 2 370.519 0.843 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001209700355 854047041 /nfs/dbraw/zinc/04/70/41/854047041.db2.gz UJKXMVQCPUEMRR-BFHYXJOUSA-N 2 2 354.476 0.149 20 0 FCADLP C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001209698099 854047289 /nfs/dbraw/zinc/04/72/89/854047289.db2.gz MPEFLEXUDMOSNW-HZPDHXFCSA-N 2 2 359.536 0.590 20 0 FCADLP C[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001209698099 854047297 /nfs/dbraw/zinc/04/72/97/854047297.db2.gz MPEFLEXUDMOSNW-HZPDHXFCSA-N 2 2 359.536 0.590 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040512 854073074 /nfs/dbraw/zinc/07/30/74/854073074.db2.gz JDULIYYXDLXHMQ-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040512 854073079 /nfs/dbraw/zinc/07/30/79/854073079.db2.gz JDULIYYXDLXHMQ-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040512 854073084 /nfs/dbraw/zinc/07/30/84/854073084.db2.gz JDULIYYXDLXHMQ-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC001210040512 854073086 /nfs/dbraw/zinc/07/30/86/854073086.db2.gz JDULIYYXDLXHMQ-JHJVBQTASA-N 2 2 366.428 0.832 20 0 FCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210285330 854095221 /nfs/dbraw/zinc/09/52/21/854095221.db2.gz WCHUNRGNCYBRPU-DJIMGWMZSA-N 2 2 352.479 0.433 20 0 FCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210285330 854095230 /nfs/dbraw/zinc/09/52/30/854095230.db2.gz WCHUNRGNCYBRPU-DJIMGWMZSA-N 2 2 352.479 0.433 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001211369487 854183334 /nfs/dbraw/zinc/18/33/34/854183334.db2.gz JRNHGGMMOSOPMR-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001211369487 854183338 /nfs/dbraw/zinc/18/33/38/854183338.db2.gz JRNHGGMMOSOPMR-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001211369487 854183343 /nfs/dbraw/zinc/18/33/43/854183343.db2.gz JRNHGGMMOSOPMR-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC001211369487 854183347 /nfs/dbraw/zinc/18/33/47/854183347.db2.gz JRNHGGMMOSOPMR-OWCLPIDISA-N 2 2 354.495 0.058 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212201274 854402997 /nfs/dbraw/zinc/40/29/97/854402997.db2.gz YMDKEHMMMIFCMF-BZUAXINKSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1)C1CCC1 ZINC001212201274 854402999 /nfs/dbraw/zinc/40/29/99/854402999.db2.gz YMDKEHMMMIFCMF-BZUAXINKSA-N 2 2 350.463 0.973 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001212253350 854416783 /nfs/dbraw/zinc/41/67/83/854416783.db2.gz CKMPTKKRQKDZLR-RBSFLKMASA-N 2 2 363.449 0.956 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001212253350 854416786 /nfs/dbraw/zinc/41/67/86/854416786.db2.gz CKMPTKKRQKDZLR-RBSFLKMASA-N 2 2 363.449 0.956 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001212253350 854416789 /nfs/dbraw/zinc/41/67/89/854416789.db2.gz CKMPTKKRQKDZLR-RBSFLKMASA-N 2 2 363.449 0.956 20 0 FCADLP CO[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001212253350 854416792 /nfs/dbraw/zinc/41/67/92/854416792.db2.gz CKMPTKKRQKDZLR-RBSFLKMASA-N 2 2 363.449 0.956 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2OC)CC[N@@H+]1C ZINC001212299383 854432043 /nfs/dbraw/zinc/43/20/43/854432043.db2.gz HTAHPECJGOJKLD-ZJIFWQFVSA-N 2 2 354.495 0.057 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2OC)CC[N@H+]1C ZINC001212299383 854432049 /nfs/dbraw/zinc/43/20/49/854432049.db2.gz HTAHPECJGOJKLD-ZJIFWQFVSA-N 2 2 354.495 0.057 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2OC)CC[NH+]1C ZINC001212299383 854432053 /nfs/dbraw/zinc/43/20/53/854432053.db2.gz HTAHPECJGOJKLD-ZJIFWQFVSA-N 2 2 354.495 0.057 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2OC)CC[NH+]1C ZINC001212299383 854432057 /nfs/dbraw/zinc/43/20/57/854432057.db2.gz HTAHPECJGOJKLD-ZJIFWQFVSA-N 2 2 354.495 0.057 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403764 854464811 /nfs/dbraw/zinc/46/48/11/854464811.db2.gz UTLGFFGFQSNLHQ-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403764 854464816 /nfs/dbraw/zinc/46/48/16/854464816.db2.gz UTLGFFGFQSNLHQ-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403764 854464825 /nfs/dbraw/zinc/46/48/25/854464825.db2.gz UTLGFFGFQSNLHQ-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403764 854464835 /nfs/dbraw/zinc/46/48/35/854464835.db2.gz UTLGFFGFQSNLHQ-BZUAXINKSA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407865 854466267 /nfs/dbraw/zinc/46/62/67/854466267.db2.gz GXVFTVNLWJOQFN-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407865 854466269 /nfs/dbraw/zinc/46/62/69/854466269.db2.gz GXVFTVNLWJOQFN-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1OC)[NH+](C)C ZINC001212455665 854484818 /nfs/dbraw/zinc/48/48/18/854484818.db2.gz ULHMIOXGGSIUQL-JHJVBQTASA-N 2 2 355.401 0.721 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1OC)[NH+](C)C ZINC001212455665 854484821 /nfs/dbraw/zinc/48/48/21/854484821.db2.gz ULHMIOXGGSIUQL-JHJVBQTASA-N 2 2 355.401 0.721 20 0 FCADLP CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212483187 854497287 /nfs/dbraw/zinc/49/72/87/854497287.db2.gz DVDGEXDBVGRWKY-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C2)C1=O ZINC001212483187 854497293 /nfs/dbraw/zinc/49/72/93/854497293.db2.gz DVDGEXDBVGRWKY-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212483187 854497296 /nfs/dbraw/zinc/49/72/96/854497296.db2.gz DVDGEXDBVGRWKY-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212483187 854497301 /nfs/dbraw/zinc/49/73/01/854497301.db2.gz DVDGEXDBVGRWKY-RBSFLKMASA-N 2 2 354.495 0.153 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486775 854498872 /nfs/dbraw/zinc/49/88/72/854498872.db2.gz CRNBHFRRNATGSD-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001212486775 854498874 /nfs/dbraw/zinc/49/88/74/854498874.db2.gz CRNBHFRRNATGSD-ARFHVFGLSA-N 2 2 350.463 0.688 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224294 854540975 /nfs/dbraw/zinc/54/09/75/854540975.db2.gz VPWCVOTVXQGDRT-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224294 854540976 /nfs/dbraw/zinc/54/09/76/854540976.db2.gz VPWCVOTVXQGDRT-RBSFLKMASA-N 2 2 354.495 0.201 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346458 854583485 /nfs/dbraw/zinc/58/34/85/854583485.db2.gz NQNUSLUMRFQULI-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346458 854583492 /nfs/dbraw/zinc/58/34/92/854583492.db2.gz NQNUSLUMRFQULI-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213371097 854590797 /nfs/dbraw/zinc/59/07/97/854590797.db2.gz RYQWNDDCPSGIGR-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213371097 854590800 /nfs/dbraw/zinc/59/08/00/854590800.db2.gz RYQWNDDCPSGIGR-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526858 854653187 /nfs/dbraw/zinc/65/31/87/854653187.db2.gz YBSKUOWKVVOXHJ-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526858 854653192 /nfs/dbraw/zinc/65/31/92/854653192.db2.gz YBSKUOWKVVOXHJ-HZPDHXFCSA-N 2 2 354.495 0.012 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213594643 854679735 /nfs/dbraw/zinc/67/97/35/854679735.db2.gz KWNNXXVADOWACW-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213594643 854679736 /nfs/dbraw/zinc/67/97/36/854679736.db2.gz KWNNXXVADOWACW-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213599253 854680450 /nfs/dbraw/zinc/68/04/50/854680450.db2.gz YROGICHADLWDEL-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213599253 854680456 /nfs/dbraw/zinc/68/04/56/854680456.db2.gz YROGICHADLWDEL-BZUAXINKSA-N 2 2 356.511 0.401 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751777 854749907 /nfs/dbraw/zinc/74/99/07/854749907.db2.gz PWINZIAIRBUYPA-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213751777 854749912 /nfs/dbraw/zinc/74/99/12/854749912.db2.gz PWINZIAIRBUYPA-HUUCEWRRSA-N 2 2 356.511 0.448 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754104 854751220 /nfs/dbraw/zinc/75/12/20/854751220.db2.gz UFNNDGSZWIFXOQ-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213754104 854751227 /nfs/dbraw/zinc/75/12/27/854751227.db2.gz UFNNDGSZWIFXOQ-ARFHVFGLSA-N 2 2 356.511 0.448 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213757925 854753401 /nfs/dbraw/zinc/75/34/01/854753401.db2.gz YAVWICGHMIKHPL-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213757925 854753408 /nfs/dbraw/zinc/75/34/08/854753408.db2.gz YAVWICGHMIKHPL-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213757925 854753416 /nfs/dbraw/zinc/75/34/16/854753416.db2.gz YAVWICGHMIKHPL-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001213757925 854753427 /nfs/dbraw/zinc/75/34/27/854753427.db2.gz YAVWICGHMIKHPL-HZPDHXFCSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768868 854760020 /nfs/dbraw/zinc/76/00/20/854760020.db2.gz CQIXCJWNDXJLOV-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768868 854760028 /nfs/dbraw/zinc/76/00/28/854760028.db2.gz CQIXCJWNDXJLOV-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768868 854760033 /nfs/dbraw/zinc/76/00/33/854760033.db2.gz CQIXCJWNDXJLOV-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001213768868 854760039 /nfs/dbraw/zinc/76/00/39/854760039.db2.gz CQIXCJWNDXJLOV-BZUAXINKSA-N 2 2 354.495 0.153 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213864066 854798711 /nfs/dbraw/zinc/79/87/11/854798711.db2.gz YPIHZJIUMYPDJK-NUEKZKHPSA-N 2 2 368.503 0.427 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213864066 854798716 /nfs/dbraw/zinc/79/87/16/854798716.db2.gz YPIHZJIUMYPDJK-NUEKZKHPSA-N 2 2 368.503 0.427 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888186 854813242 /nfs/dbraw/zinc/81/32/42/854813242.db2.gz UKDMNLPPUBLBHP-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888186 854813244 /nfs/dbraw/zinc/81/32/44/854813244.db2.gz UKDMNLPPUBLBHP-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888186 854813246 /nfs/dbraw/zinc/81/32/46/854813246.db2.gz UKDMNLPPUBLBHP-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@H]2OC)C1 ZINC001213888186 854813248 /nfs/dbraw/zinc/81/32/48/854813248.db2.gz UKDMNLPPUBLBHP-ZACQAIPSSA-N 2 2 357.495 0.195 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001213925881 854828091 /nfs/dbraw/zinc/82/80/91/854828091.db2.gz UQTKHUFYAGEJIC-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOCC(F)F)C[C@H]1OC ZINC001213925881 854828093 /nfs/dbraw/zinc/82/80/93/854828093.db2.gz UQTKHUFYAGEJIC-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1OC ZINC001213925881 854828100 /nfs/dbraw/zinc/82/81/00/854828100.db2.gz UQTKHUFYAGEJIC-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1OC ZINC001213925881 854828103 /nfs/dbraw/zinc/82/81/03/854828103.db2.gz UQTKHUFYAGEJIC-RBSFLKMASA-N 2 2 363.449 0.958 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+]CCS(C)(=O)=O)C3)ccn12 ZINC001214632187 854982988 /nfs/dbraw/zinc/98/29/88/854982988.db2.gz FOQXCUKOKQFKEC-IUODEOHRSA-N 2 2 364.471 0.737 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)C2 ZINC001215006356 855050932 /nfs/dbraw/zinc/05/09/32/855050932.db2.gz VGMTXEWJVRMNQW-HACGYAERSA-N 2 2 350.463 0.268 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)CC2 ZINC001215006356 855050937 /nfs/dbraw/zinc/05/09/37/855050937.db2.gz VGMTXEWJVRMNQW-HACGYAERSA-N 2 2 350.463 0.268 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215268891 855092575 /nfs/dbraw/zinc/09/25/75/855092575.db2.gz BXMFILDUDMSIOE-VXGBXAGGSA-N 2 2 363.447 0.200 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC001215269057 855092717 /nfs/dbraw/zinc/09/27/17/855092717.db2.gz JSUATNIBFQYXGI-BRWVUGGUSA-N 2 2 350.463 0.905 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N(C)c1nccs1 ZINC001215681435 855135392 /nfs/dbraw/zinc/13/53/92/855135392.db2.gz ZGQAOQVYYRKBKO-DGCLKSJQSA-N 2 2 362.459 0.508 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001216565385 855212194 /nfs/dbraw/zinc/21/21/94/855212194.db2.gz KCNCLXUBVRXDQL-FRFSOERESA-N 2 2 350.463 0.893 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2nccs2)C1 ZINC001216560911 855212879 /nfs/dbraw/zinc/21/28/79/855212879.db2.gz OKFASTAKOXTYIR-ZWNOBZJWSA-N 2 2 362.459 0.792 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830660 855252198 /nfs/dbraw/zinc/25/21/98/855252198.db2.gz WVJQAYSODLHYLE-UMVBOHGHSA-N 2 2 364.515 0.677 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830660 855252207 /nfs/dbraw/zinc/25/22/07/855252207.db2.gz WVJQAYSODLHYLE-UMVBOHGHSA-N 2 2 364.515 0.677 20 0 FCADLP COC(=O)c1nc(Br)cnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218522690 855434312 /nfs/dbraw/zinc/43/43/12/855434312.db2.gz AIVOKJGKFIGDSZ-ZETCQYMHSA-N 2 2 369.179 0.257 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]21)[NH+](C)C ZINC001218638795 855456088 /nfs/dbraw/zinc/45/60/88/855456088.db2.gz LRVHSOPBQBEGCK-MELADBBJSA-N 2 2 367.412 0.817 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]21)[NH+](C)C ZINC001218638795 855456094 /nfs/dbraw/zinc/45/60/94/855456094.db2.gz LRVHSOPBQBEGCK-MELADBBJSA-N 2 2 367.412 0.817 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CC[S@](C)=O)cc2)CC1 ZINC001218846073 855485605 /nfs/dbraw/zinc/48/56/05/855485605.db2.gz PPLXVHULVXHTCK-GKVSMKOHSA-N 2 2 366.531 0.859 20 0 FCADLP Nc1ccc(S(=O)(=O)N(C(=O)[C@H]([NH3+])CCC[NH3+])c2nccs2)cc1 ZINC001218949910 855501689 /nfs/dbraw/zinc/50/16/89/855501689.db2.gz POQJVFZONRZZPO-GFCCVEGCSA-N 2 2 369.472 0.513 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044011 855524111 /nfs/dbraw/zinc/52/41/11/855524111.db2.gz MVRPQOQZCAGPBE-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044011 855524114 /nfs/dbraw/zinc/52/41/14/855524114.db2.gz MVRPQOQZCAGPBE-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044011 855524117 /nfs/dbraw/zinc/52/41/17/855524117.db2.gz MVRPQOQZCAGPBE-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOC(C)C)C[C@@H]32)C1 ZINC001219044011 855524122 /nfs/dbraw/zinc/52/41/22/855524122.db2.gz MVRPQOQZCAGPBE-BBWFWOEESA-N 2 2 355.479 0.044 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(OC)n1 ZINC001279158994 862702436 /nfs/dbraw/zinc/70/24/36/862702436.db2.gz URWDAKSUDAYYSW-CVEARBPZSA-N 2 2 350.463 0.545 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(OC)n1 ZINC001279158994 862702448 /nfs/dbraw/zinc/70/24/48/862702448.db2.gz URWDAKSUDAYYSW-CVEARBPZSA-N 2 2 350.463 0.545 20 0 FCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)[C@H]1C[NH2+]CC[C@@H]1O ZINC001219454781 855678141 /nfs/dbraw/zinc/67/81/41/855678141.db2.gz YHYHQXWMXBXVIK-SOUVJXGZSA-N 2 2 355.385 0.972 20 0 FCADLP COC(=O)NC(=S)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1N ZINC001219550054 855709439 /nfs/dbraw/zinc/70/94/39/855709439.db2.gz LUIUWHFQXDJDPZ-UVWXRNBGSA-N 2 2 363.443 0.465 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)CC[N@@H+]1C ZINC001219658040 855757077 /nfs/dbraw/zinc/75/70/77/855757077.db2.gz FPOBEDLJQAHXNY-LPWJVIDDSA-N 2 2 353.385 0.067 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)(F)F)C[C@@H]2O)CC[N@H+]1C ZINC001219658040 855757084 /nfs/dbraw/zinc/75/70/84/855757084.db2.gz FPOBEDLJQAHXNY-LPWJVIDDSA-N 2 2 353.385 0.067 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001219658040 855757087 /nfs/dbraw/zinc/75/70/87/855757087.db2.gz FPOBEDLJQAHXNY-LPWJVIDDSA-N 2 2 353.385 0.067 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)CC[NH+]1C ZINC001219658040 855757093 /nfs/dbraw/zinc/75/70/93/855757093.db2.gz FPOBEDLJQAHXNY-LPWJVIDDSA-N 2 2 353.385 0.067 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1O ZINC001219732192 855791163 /nfs/dbraw/zinc/79/11/63/855791163.db2.gz PVIOSJHJCVPSIX-OIISXLGYSA-N 2 2 352.454 0.731 20 0 FCADLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1O ZINC001219732192 855791171 /nfs/dbraw/zinc/79/11/71/855791171.db2.gz PVIOSJHJCVPSIX-OIISXLGYSA-N 2 2 352.454 0.731 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCOCC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219798391 855818506 /nfs/dbraw/zinc/81/85/06/855818506.db2.gz KQWLLBJGIQZXBO-NEPJUHHUSA-N 2 2 353.385 0.211 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2O)CCC1 ZINC001219798391 855818511 /nfs/dbraw/zinc/81/85/11/855818511.db2.gz KQWLLBJGIQZXBO-NEPJUHHUSA-N 2 2 353.385 0.211 20 0 FCADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830114 855834723 /nfs/dbraw/zinc/83/47/23/855834723.db2.gz OAJUERUSQQAXNN-XHSDSOJGSA-N 2 2 369.897 0.572 20 0 FCADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830114 855834728 /nfs/dbraw/zinc/83/47/28/855834728.db2.gz OAJUERUSQQAXNN-XHSDSOJGSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830114 855834732 /nfs/dbraw/zinc/83/47/32/855834732.db2.gz OAJUERUSQQAXNN-XHSDSOJGSA-N 2 2 369.897 0.572 20 0 FCADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@@H]1O ZINC001219830114 855834739 /nfs/dbraw/zinc/83/47/39/855834739.db2.gz OAJUERUSQQAXNN-XHSDSOJGSA-N 2 2 369.897 0.572 20 0 FCADLP CCc1nocc1C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830029 855835244 /nfs/dbraw/zinc/83/52/44/855835244.db2.gz LSSHPRLDCVUQJW-UAGQMJEPSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830029 855835247 /nfs/dbraw/zinc/83/52/47/855835247.db2.gz LSSHPRLDCVUQJW-UAGQMJEPSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830029 855835249 /nfs/dbraw/zinc/83/52/49/855835249.db2.gz LSSHPRLDCVUQJW-UAGQMJEPSA-N 2 2 350.463 0.773 20 0 FCADLP CCc1nocc1C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830029 855835252 /nfs/dbraw/zinc/83/52/52/855835252.db2.gz LSSHPRLDCVUQJW-UAGQMJEPSA-N 2 2 350.463 0.773 20 0 FCADLP CCCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219875261 855856320 /nfs/dbraw/zinc/85/63/20/855856320.db2.gz WNSDCVUCJJDCQL-KFWWJZLASA-N 2 2 352.479 0.937 20 0 FCADLP CCCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C2)o1 ZINC001219875261 855856323 /nfs/dbraw/zinc/85/63/23/855856323.db2.gz WNSDCVUCJJDCQL-KFWWJZLASA-N 2 2 352.479 0.937 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001219906609 855874488 /nfs/dbraw/zinc/87/44/88/855874488.db2.gz SIMKZMKRENIBDV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001219906609 855874496 /nfs/dbraw/zinc/87/44/96/855874496.db2.gz SIMKZMKRENIBDV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001219906609 855874499 /nfs/dbraw/zinc/87/44/99/855874499.db2.gz SIMKZMKRENIBDV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@@H]1O ZINC001219906609 855874504 /nfs/dbraw/zinc/87/45/04/855874504.db2.gz SIMKZMKRENIBDV-CABCVRRESA-N 2 2 350.463 0.482 20 0 FCADLP Cc1nn(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c(C)c1Br ZINC001219997314 855911031 /nfs/dbraw/zinc/91/10/31/855911031.db2.gz RWZRERGHLMXAAU-BXUZGUMPSA-N 2 2 356.268 0.330 20 0 FCADLP CC(C)(C)OC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC([NH3+])CC1 ZINC001220039944 855929474 /nfs/dbraw/zinc/92/94/74/855929474.db2.gz ZBQMJYHGJOTWBO-SUJUFDHTSA-N 3 2 352.479 0.036 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220053580 855934749 /nfs/dbraw/zinc/93/47/49/855934749.db2.gz WJSSOUUOOWJJGH-XHSDSOJGSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220053580 855934751 /nfs/dbraw/zinc/93/47/51/855934751.db2.gz WJSSOUUOOWJJGH-XHSDSOJGSA-N 2 2 350.463 0.331 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001220224541 856019991 /nfs/dbraw/zinc/01/99/91/856019991.db2.gz RRNHOPNZFSBKMM-CVEARBPZSA-N 2 2 351.447 0.543 20 0 FCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1O ZINC001220224541 856019997 /nfs/dbraw/zinc/01/99/97/856019997.db2.gz RRNHOPNZFSBKMM-CVEARBPZSA-N 2 2 351.447 0.543 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233966 856025132 /nfs/dbraw/zinc/02/51/32/856025132.db2.gz NTZMNHJAGWJSMU-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233966 856025138 /nfs/dbraw/zinc/02/51/38/856025138.db2.gz NTZMNHJAGWJSMU-OAGGEKHMSA-N 2 2 356.511 0.040 20 0 FCADLP COc1ccc(Cl)cc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273130 856039039 /nfs/dbraw/zinc/03/90/39/856039039.db2.gz CUKBTGKWCPGNPB-CABCVRRESA-N 2 2 355.866 0.962 20 0 FCADLP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273130 856039043 /nfs/dbraw/zinc/03/90/43/856039043.db2.gz CUKBTGKWCPGNPB-CABCVRRESA-N 2 2 355.866 0.962 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220682919 856240293 /nfs/dbraw/zinc/24/02/93/856240293.db2.gz HOMCUXGVRGHHAV-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220682919 856240305 /nfs/dbraw/zinc/24/03/05/856240305.db2.gz HOMCUXGVRGHHAV-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220682919 856240315 /nfs/dbraw/zinc/24/03/15/856240315.db2.gz HOMCUXGVRGHHAV-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@@H]1O ZINC001220682919 856240327 /nfs/dbraw/zinc/24/03/27/856240327.db2.gz HOMCUXGVRGHHAV-CVEARBPZSA-N 2 2 356.511 0.135 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220757498 856283913 /nfs/dbraw/zinc/28/39/13/856283913.db2.gz INTSNZGJCHBFMS-OLZOCXBDSA-N 2 2 364.368 0.093 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1O ZINC001220757498 856283923 /nfs/dbraw/zinc/28/39/23/856283923.db2.gz INTSNZGJCHBFMS-OLZOCXBDSA-N 2 2 364.368 0.093 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1O ZINC001220768416 856288868 /nfs/dbraw/zinc/28/88/68/856288868.db2.gz KTURKSWHZAHLGQ-CVEARBPZSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1O ZINC001220768416 856288888 /nfs/dbraw/zinc/28/88/88/856288888.db2.gz KTURKSWHZAHLGQ-CVEARBPZSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220768441 856289347 /nfs/dbraw/zinc/28/93/47/856289347.db2.gz LZKPVVRWZZOWMY-CVEARBPZSA-N 2 2 355.866 0.580 20 0 FCADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1O ZINC001220768441 856289353 /nfs/dbraw/zinc/28/93/53/856289353.db2.gz LZKPVVRWZZOWMY-CVEARBPZSA-N 2 2 355.866 0.580 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220888696 856360256 /nfs/dbraw/zinc/36/02/56/856360256.db2.gz SWFJRLDLHMGPRX-UAGQMJEPSA-N 2 2 350.463 0.331 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220888696 856360259 /nfs/dbraw/zinc/36/02/59/856360259.db2.gz SWFJRLDLHMGPRX-UAGQMJEPSA-N 2 2 350.463 0.331 20 0 FCADLP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001220928373 856378494 /nfs/dbraw/zinc/37/84/94/856378494.db2.gz NBZXOZQZAPCJJG-ISQRANHSSA-N 2 2 353.488 0.482 20 0 FCADLP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001220928373 856378505 /nfs/dbraw/zinc/37/85/05/856378505.db2.gz NBZXOZQZAPCJJG-ISQRANHSSA-N 2 2 353.488 0.482 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079157 856451722 /nfs/dbraw/zinc/45/17/22/856451722.db2.gz LIAASSVIELFSJO-SJORKVTESA-N 2 2 350.463 0.829 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079157 856451725 /nfs/dbraw/zinc/45/17/25/856451725.db2.gz LIAASSVIELFSJO-SJORKVTESA-N 2 2 350.463 0.829 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001221091444 856458129 /nfs/dbraw/zinc/45/81/29/856458129.db2.gz OOLMGXUWBLBHIB-SJORKVTESA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001221091444 856458133 /nfs/dbraw/zinc/45/81/33/856458133.db2.gz OOLMGXUWBLBHIB-SJORKVTESA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001221091444 856458137 /nfs/dbraw/zinc/45/81/37/856458137.db2.gz OOLMGXUWBLBHIB-SJORKVTESA-N 2 2 353.438 0.320 20 0 FCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1O ZINC001221091444 856458141 /nfs/dbraw/zinc/45/81/41/856458141.db2.gz OOLMGXUWBLBHIB-SJORKVTESA-N 2 2 353.438 0.320 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461414 856575529 /nfs/dbraw/zinc/57/55/29/856575529.db2.gz JTTCUVLIKOUQNG-KURKYZTESA-N 2 2 351.491 0.666 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461414 856575539 /nfs/dbraw/zinc/57/55/39/856575539.db2.gz JTTCUVLIKOUQNG-KURKYZTESA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461414 856575545 /nfs/dbraw/zinc/57/55/45/856575545.db2.gz JTTCUVLIKOUQNG-KURKYZTESA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461414 856575559 /nfs/dbraw/zinc/57/55/59/856575559.db2.gz JTTCUVLIKOUQNG-KURKYZTESA-N 2 2 351.491 0.666 20 0 FCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461415 856575726 /nfs/dbraw/zinc/57/57/26/856575726.db2.gz JTTCUVLIKOUQNG-KZNAEPCWSA-N 2 2 351.491 0.666 20 0 FCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461415 856575730 /nfs/dbraw/zinc/57/57/30/856575730.db2.gz JTTCUVLIKOUQNG-KZNAEPCWSA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461415 856575735 /nfs/dbraw/zinc/57/57/35/856575735.db2.gz JTTCUVLIKOUQNG-KZNAEPCWSA-N 2 2 351.491 0.666 20 0 FCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCOCC4CCC4)C[C@H]32)C1 ZINC001221461415 856575739 /nfs/dbraw/zinc/57/57/39/856575739.db2.gz JTTCUVLIKOUQNG-KZNAEPCWSA-N 2 2 351.491 0.666 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221587613 856613480 /nfs/dbraw/zinc/61/34/80/856613480.db2.gz AYSZHXCOWIMDHR-OWCLPIDISA-N 2 2 354.470 0.431 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001221587613 856613482 /nfs/dbraw/zinc/61/34/82/856613482.db2.gz AYSZHXCOWIMDHR-OWCLPIDISA-N 2 2 354.470 0.431 20 0 FCADLP C[C@H](C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221616585 856625647 /nfs/dbraw/zinc/62/56/47/856625647.db2.gz QPTPMBFIGVIURU-BZUAXINKSA-N 2 2 371.547 0.684 20 0 FCADLP C[C@H](C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1)CS(C)(=O)=O ZINC001221616585 856625653 /nfs/dbraw/zinc/62/56/53/856625653.db2.gz QPTPMBFIGVIURU-BZUAXINKSA-N 2 2 371.547 0.684 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647857 856637590 /nfs/dbraw/zinc/63/75/90/856637590.db2.gz BMCVFKWLXFVKBO-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647857 856637595 /nfs/dbraw/zinc/63/75/95/856637595.db2.gz BMCVFKWLXFVKBO-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647857 856637601 /nfs/dbraw/zinc/63/76/01/856637601.db2.gz BMCVFKWLXFVKBO-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647857 856637605 /nfs/dbraw/zinc/63/76/05/856637605.db2.gz BMCVFKWLXFVKBO-BRWVUGGUSA-N 2 2 350.507 0.872 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664360 856644724 /nfs/dbraw/zinc/64/47/24/856644724.db2.gz QRSFMRHEQMBPCY-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001221664360 856644725 /nfs/dbraw/zinc/64/47/25/856644725.db2.gz QRSFMRHEQMBPCY-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664360 856644730 /nfs/dbraw/zinc/64/47/30/856644730.db2.gz QRSFMRHEQMBPCY-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664360 856644734 /nfs/dbraw/zinc/64/47/34/856644734.db2.gz QRSFMRHEQMBPCY-BRWVUGGUSA-N 2 2 350.507 0.776 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772840 856677379 /nfs/dbraw/zinc/67/73/79/856677379.db2.gz PONHYSWFQFSLCL-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772840 856677387 /nfs/dbraw/zinc/67/73/87/856677387.db2.gz PONHYSWFQFSLCL-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773160 856677590 /nfs/dbraw/zinc/67/75/90/856677590.db2.gz ZGNZSRHTCDMRQM-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP CCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221773160 856677595 /nfs/dbraw/zinc/67/75/95/856677595.db2.gz ZGNZSRHTCDMRQM-HZPDHXFCSA-N 2 2 350.507 0.777 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCc3cccs3)C[C@H]21 ZINC001221791232 856685475 /nfs/dbraw/zinc/68/54/75/856685475.db2.gz BZWWWVQAEMMMST-GDBMZVCRSA-N 2 2 364.515 0.849 20 0 FCADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCc3cccs3)C[C@H]21 ZINC001221791232 856685482 /nfs/dbraw/zinc/68/54/82/856685482.db2.gz BZWWWVQAEMMMST-GDBMZVCRSA-N 2 2 364.515 0.849 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CC3)C[C@H]21)[NH+](C)C ZINC001221792939 856685686 /nfs/dbraw/zinc/68/56/86/856685686.db2.gz GSFIIKFLTWXSHB-JFIYKMOQSA-N 2 2 350.507 0.632 20 0 FCADLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C[C@H]21)[NH+](C)C ZINC001221792939 856685692 /nfs/dbraw/zinc/68/56/92/856685692.db2.gz GSFIIKFLTWXSHB-JFIYKMOQSA-N 2 2 350.507 0.632 20 0 FCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848848 856709263 /nfs/dbraw/zinc/70/92/63/856709263.db2.gz JHISFDSUCSMJPU-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848848 856709274 /nfs/dbraw/zinc/70/92/74/856709274.db2.gz JHISFDSUCSMJPU-IAGOWNOFSA-N 2 2 350.507 0.777 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883820 856722783 /nfs/dbraw/zinc/72/27/83/856722783.db2.gz VNHCWXQSLDWMGK-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001221883820 856722786 /nfs/dbraw/zinc/72/27/86/856722786.db2.gz VNHCWXQSLDWMGK-BZUAXINKSA-N 2 2 357.520 0.296 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013971 856768573 /nfs/dbraw/zinc/76/85/73/856768573.db2.gz PGRQZAJTKDRADH-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013971 856768577 /nfs/dbraw/zinc/76/85/77/856768577.db2.gz PGRQZAJTKDRADH-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013971 856768582 /nfs/dbraw/zinc/76/85/82/856768582.db2.gz PGRQZAJTKDRADH-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013971 856768589 /nfs/dbraw/zinc/76/85/89/856768589.db2.gz PGRQZAJTKDRADH-OWCLPIDISA-N 2 2 350.507 0.776 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976265 856886215 /nfs/dbraw/zinc/88/62/15/856886215.db2.gz IOYHVMIFHPXMOJ-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976265 856886222 /nfs/dbraw/zinc/88/62/22/856886222.db2.gz IOYHVMIFHPXMOJ-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976265 856886232 /nfs/dbraw/zinc/88/62/32/856886232.db2.gz IOYHVMIFHPXMOJ-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)[C@H]2C1 ZINC001222976265 856886240 /nfs/dbraw/zinc/88/62/40/856886240.db2.gz IOYHVMIFHPXMOJ-ZACQAIPSSA-N 2 2 371.547 0.828 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)n1 ZINC001223431401 856916432 /nfs/dbraw/zinc/91/64/32/856916432.db2.gz ZESVYWNAZUFYNB-KGLIPLIRSA-N 2 2 351.451 0.591 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)n1 ZINC001223431401 856916442 /nfs/dbraw/zinc/91/64/42/856916442.db2.gz ZESVYWNAZUFYNB-KGLIPLIRSA-N 2 2 351.451 0.591 20 0 FCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001223911693 856951175 /nfs/dbraw/zinc/95/11/75/856951175.db2.gz HQFCHGVIFQMQRU-ILXRZTDVSA-N 2 2 350.463 0.617 20 0 FCADLP COC[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001223911693 856951177 /nfs/dbraw/zinc/95/11/77/856951177.db2.gz HQFCHGVIFQMQRU-ILXRZTDVSA-N 2 2 350.463 0.617 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@H+](C)C2CCC2)nc1=O ZINC001226823689 857127960 /nfs/dbraw/zinc/12/79/60/857127960.db2.gz BKOOGWPEFTZPRY-ZIAGYGMSSA-N 2 2 350.467 0.110 20 0 FCADLP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[N@@H+](C)C2CCC2)nc1=O ZINC001226823689 857127965 /nfs/dbraw/zinc/12/79/65/857127965.db2.gz BKOOGWPEFTZPRY-ZIAGYGMSSA-N 2 2 350.467 0.110 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227175360 857147986 /nfs/dbraw/zinc/14/79/86/857147986.db2.gz JCHHPQUOIJAUNZ-BZUAXINKSA-N 2 2 350.463 0.471 20 0 FCADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227212095 857148850 /nfs/dbraw/zinc/14/88/50/857148850.db2.gz OBCRWXSNOSFGEM-MRVWCRGKSA-N 2 2 351.451 0.501 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001228341969 857205696 /nfs/dbraw/zinc/20/56/96/857205696.db2.gz PVQLPOAMEIIWHB-OAGGEKHMSA-N 2 2 353.442 0.834 20 0 FCADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001228341969 857205704 /nfs/dbraw/zinc/20/57/04/857205704.db2.gz PVQLPOAMEIIWHB-OAGGEKHMSA-N 2 2 353.442 0.834 20 0 FCADLP O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)Nc1nncs1 ZINC001228800477 857230427 /nfs/dbraw/zinc/23/04/27/857230427.db2.gz LXFFCNRKGMCMGG-VXGBXAGGSA-N 2 2 363.447 0.459 20 0 FCADLP CON1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001230204963 857313847 /nfs/dbraw/zinc/31/38/47/857313847.db2.gz ISZPRQAQHLCUKZ-KRWDZBQOSA-N 2 2 353.511 0.822 20 0 FCADLP CON1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001230204963 857313852 /nfs/dbraw/zinc/31/38/52/857313852.db2.gz ISZPRQAQHLCUKZ-KRWDZBQOSA-N 2 2 353.511 0.822 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001234403663 857403990 /nfs/dbraw/zinc/40/39/90/857403990.db2.gz WVVRGPZRZGCHSD-HYVNUMGLSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001234403663 857404000 /nfs/dbraw/zinc/40/40/00/857404000.db2.gz WVVRGPZRZGCHSD-HYVNUMGLSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001234403663 857404007 /nfs/dbraw/zinc/40/40/07/857404007.db2.gz WVVRGPZRZGCHSD-HYVNUMGLSA-N 2 2 350.507 0.870 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001234403663 857404020 /nfs/dbraw/zinc/40/40/20/857404020.db2.gz WVVRGPZRZGCHSD-HYVNUMGLSA-N 2 2 350.507 0.870 20 0 FCADLP COc1ccoc1C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001237866249 857458735 /nfs/dbraw/zinc/45/87/35/857458735.db2.gz PVWKVYPNCWPOBI-GDBMZVCRSA-N 2 2 351.447 0.899 20 0 FCADLP COc1ccoc1C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001237866249 857458738 /nfs/dbraw/zinc/45/87/38/857458738.db2.gz PVWKVYPNCWPOBI-GDBMZVCRSA-N 2 2 351.447 0.899 20 0 FCADLP COc1ccoc1C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001237866249 857458740 /nfs/dbraw/zinc/45/87/40/857458740.db2.gz PVWKVYPNCWPOBI-GDBMZVCRSA-N 2 2 351.447 0.899 20 0 FCADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC001238809044 857480235 /nfs/dbraw/zinc/48/02/35/857480235.db2.gz XIMNDRJYJVEDBB-LBPRGKRZSA-N 2 2 362.293 0.902 20 0 FCADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC001238809044 857480239 /nfs/dbraw/zinc/48/02/39/857480239.db2.gz XIMNDRJYJVEDBB-LBPRGKRZSA-N 2 2 362.293 0.902 20 0 FCADLP S=C(Nc1ccc2c(c1)OCO2)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438717 857528448 /nfs/dbraw/zinc/52/84/48/857528448.db2.gz NNMMQESEURSUPO-UHFFFAOYSA-N 2 2 351.476 0.197 20 0 FCADLP COC(=O)c1ccc(NC(=S)N2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001239439485 857528871 /nfs/dbraw/zinc/52/88/71/857528871.db2.gz WTTZJKDOIGVSOK-UHFFFAOYSA-N 2 2 365.503 0.254 20 0 FCADLP C[C@H]1CC[C@H]([N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746376 857597155 /nfs/dbraw/zinc/59/71/55/857597155.db2.gz JYBZJUIQTASSFM-BMFAXAFESA-N 2 2 351.491 0.999 20 0 FCADLP C[C@H]1CC[C@H]([N@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C[NH2+]1 ZINC001246746376 857597164 /nfs/dbraw/zinc/59/71/64/857597164.db2.gz JYBZJUIQTASSFM-BMFAXAFESA-N 2 2 351.491 0.999 20 0 FCADLP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246926420 857606221 /nfs/dbraw/zinc/60/62/21/857606221.db2.gz SOSOSGYJQPXCLD-OAHLLOKOSA-N 3 2 354.445 0.938 20 0 FCADLP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246926420 857606231 /nfs/dbraw/zinc/60/62/31/857606231.db2.gz SOSOSGYJQPXCLD-OAHLLOKOSA-N 3 2 354.445 0.938 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=S)NCC[NH+](C)C ZINC001249835040 857652371 /nfs/dbraw/zinc/65/23/71/857652371.db2.gz USNWJSWXKPGGLX-YOEHRIQHSA-N 2 2 372.535 0.151 20 0 FCADLP O[C@H](CN1CCOCC1)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251009461 857679164 /nfs/dbraw/zinc/67/91/64/857679164.db2.gz OEGIBZXHDPVCOW-YESZJQIVSA-N 2 2 351.516 0.805 20 0 FCADLP O[C@@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251009458 857679683 /nfs/dbraw/zinc/67/96/83/857679683.db2.gz OEGIBZXHDPVCOW-BBWFWOEESA-N 2 2 351.516 0.805 20 0 FCADLP O[C@@H](CN1CCOCC1)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251009458 857679671 /nfs/dbraw/zinc/67/96/71/857679671.db2.gz OEGIBZXHDPVCOW-BBWFWOEESA-N 2 2 351.516 0.805 20 0 FCADLP O[C@@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251009458 857679676 /nfs/dbraw/zinc/67/96/76/857679676.db2.gz OEGIBZXHDPVCOW-BBWFWOEESA-N 2 2 351.516 0.805 20 0 FCADLP O[C@@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251009458 857679679 /nfs/dbraw/zinc/67/96/79/857679679.db2.gz OEGIBZXHDPVCOW-BBWFWOEESA-N 2 2 351.516 0.805 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001253186427 857870256 /nfs/dbraw/zinc/87/02/56/857870256.db2.gz OQBFCYSXJXBKDL-IRXDYDNUSA-N 2 2 353.507 0.650 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001253390225 857885208 /nfs/dbraw/zinc/88/52/08/857885208.db2.gz KXHZZCFKCWNCGE-KLHDSHLOSA-N 2 2 355.479 0.521 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001253390225 857885215 /nfs/dbraw/zinc/88/52/15/857885215.db2.gz KXHZZCFKCWNCGE-KLHDSHLOSA-N 2 2 355.479 0.521 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001253390822 857885463 /nfs/dbraw/zinc/88/54/63/857885463.db2.gz CFNGUKCKTYNLEX-VQHPVUNQSA-N 2 2 353.507 0.980 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001253390822 857885465 /nfs/dbraw/zinc/88/54/65/857885465.db2.gz CFNGUKCKTYNLEX-VQHPVUNQSA-N 2 2 353.507 0.980 20 0 FCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)NCC(=O)OCc1ccccc1 ZINC001253405257 857886327 /nfs/dbraw/zinc/88/63/27/857886327.db2.gz TXWOBHXOKIKVKT-HNNXBMFYSA-N 2 2 351.447 0.185 20 0 FCADLP COC(C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2)OC ZINC001279585637 862969075 /nfs/dbraw/zinc/96/90/75/862969075.db2.gz NIYNWMVCGXNOAS-XHSDSOJGSA-N 2 2 353.463 0.001 20 0 FCADLP COC(C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2)OC ZINC001279585637 862969081 /nfs/dbraw/zinc/96/90/81/862969081.db2.gz NIYNWMVCGXNOAS-XHSDSOJGSA-N 2 2 353.463 0.001 20 0 FCADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C1CCSCC1 ZINC001255088212 857998374 /nfs/dbraw/zinc/99/83/74/857998374.db2.gz XFYCOUBHYGWLJG-KBPBESRZSA-N 2 2 351.476 0.297 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC1 ZINC001256203965 858056956 /nfs/dbraw/zinc/05/69/56/858056956.db2.gz OYIYLRVMDJQUQW-KURKYZTESA-N 2 2 351.491 0.855 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)CC1 ZINC001256203965 858056965 /nfs/dbraw/zinc/05/69/65/858056965.db2.gz OYIYLRVMDJQUQW-KURKYZTESA-N 2 2 351.491 0.855 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257723896 858157475 /nfs/dbraw/zinc/15/74/75/858157475.db2.gz JGGYYHZSECHXHE-BZUAXINKSA-N 3 2 357.495 0.720 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C(=O)OC ZINC001257723896 858157479 /nfs/dbraw/zinc/15/74/79/858157479.db2.gz JGGYYHZSECHXHE-BZUAXINKSA-N 3 2 357.495 0.720 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001261507345 858571748 /nfs/dbraw/zinc/57/17/48/858571748.db2.gz VNCCXJQEANBXTN-DLBZAZTESA-N 2 2 356.511 0.849 20 0 FCADLP C[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@@H]1CC[NH3+] ZINC001262572289 859003235 /nfs/dbraw/zinc/00/32/35/859003235.db2.gz PYNHDMJVDYBOTM-GOEBONIOSA-N 2 2 374.551 0.654 20 0 FCADLP CCn1c(CCO)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001263013076 859081400 /nfs/dbraw/zinc/08/14/00/859081400.db2.gz HLDWIUHUSWYEDE-UHFFFAOYSA-N 2 2 350.511 0.829 20 0 FCADLP CCn1c(CCO)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001263013076 859081411 /nfs/dbraw/zinc/08/14/11/859081411.db2.gz HLDWIUHUSWYEDE-UHFFFAOYSA-N 2 2 350.511 0.829 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CC3(C2)C[NH+](Cc2scnc2C)C3)CC1 ZINC001274369382 860738074 /nfs/dbraw/zinc/73/80/74/860738074.db2.gz FBGHNMHYONEIHG-UHFFFAOYSA-N 2 2 363.531 0.733 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cn1)C2 ZINC001275437867 861095534 /nfs/dbraw/zinc/09/55/34/861095534.db2.gz ZMSYNTDZIGXNHU-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cn1)C2 ZINC001275437867 861095550 /nfs/dbraw/zinc/09/55/50/861095550.db2.gz ZMSYNTDZIGXNHU-SFHVURJKSA-N 2 2 350.438 0.833 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCSC23C[NH+](Cc2cncnc2)C3)CC1 ZINC001279972673 863160879 /nfs/dbraw/zinc/16/08/79/863160879.db2.gz SQVNCSVMQFPVJB-INIZCTEOSA-N 2 2 361.515 0.995 20 0 FCADLP COC(=O)[C@H](C)C[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001280025684 863196475 /nfs/dbraw/zinc/19/64/75/863196475.db2.gz HOEQBCUWMWDDGA-UKRRQHHQSA-N 2 2 353.463 0.239 20 0 FCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001280053682 863222434 /nfs/dbraw/zinc/22/24/34/863222434.db2.gz OHZRNOFTOVQBAV-INIZCTEOSA-N 2 2 350.463 0.859 20 0 FCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001280053682 863222448 /nfs/dbraw/zinc/22/24/48/863222448.db2.gz OHZRNOFTOVQBAV-INIZCTEOSA-N 2 2 350.463 0.859 20 0 FCADLP CC(C)OCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280080207 863251818 /nfs/dbraw/zinc/25/18/18/863251818.db2.gz CUXGJWYLCTWFBE-KSZLIROESA-N 2 2 351.491 0.807 20 0 FCADLP CC(C)OCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001280080207 863251834 /nfs/dbraw/zinc/25/18/34/863251834.db2.gz CUXGJWYLCTWFBE-KSZLIROESA-N 2 2 351.491 0.807 20 0 FCADLP Cn1nnnc1NC(=O)[C@@H]1CCSC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001280257973 863365246 /nfs/dbraw/zinc/36/52/46/863365246.db2.gz YONAUPWUVRAWCP-OLZOCXBDSA-N 2 2 365.507 0.298 20 0 FCADLP Cn1nnnc1NC(=O)[C@@H]1CCSC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001280257973 863365254 /nfs/dbraw/zinc/36/52/54/863365254.db2.gz YONAUPWUVRAWCP-OLZOCXBDSA-N 2 2 365.507 0.298 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001350585407 866637933 /nfs/dbraw/zinc/63/79/33/866637933.db2.gz KDJAVPYTXDYHRM-UHFFFAOYSA-N 2 2 353.555 0.545 20 0 FCADLP CC(C)[NH+]1CCN(CCC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC001350585407 866637945 /nfs/dbraw/zinc/63/79/45/866637945.db2.gz KDJAVPYTXDYHRM-UHFFFAOYSA-N 2 2 353.555 0.545 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001311894187 867127316 /nfs/dbraw/zinc/12/73/16/867127316.db2.gz URKBMUHKCTYDMX-GVDBMIGSSA-N 3 2 355.527 0.088 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001311894187 867127322 /nfs/dbraw/zinc/12/73/22/867127322.db2.gz URKBMUHKCTYDMX-GVDBMIGSSA-N 3 2 355.527 0.088 20 0 FCADLP COC[C@]1(CO)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015986 867136176 /nfs/dbraw/zinc/13/61/76/867136176.db2.gz QQSXMRDFXKFRIF-CRAIPNDOSA-N 2 2 354.495 0.195 20 0 FCADLP COC[C@]1(CO)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001312015986 867136181 /nfs/dbraw/zinc/13/61/81/867136181.db2.gz QQSXMRDFXKFRIF-CRAIPNDOSA-N 2 2 354.495 0.195 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001353679390 867470796 /nfs/dbraw/zinc/47/07/96/867470796.db2.gz XLBIFTMYUYPFNF-BBWFWOEESA-N 2 2 350.507 0.968 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC001353679390 867470808 /nfs/dbraw/zinc/47/08/08/867470808.db2.gz XLBIFTMYUYPFNF-BBWFWOEESA-N 2 2 350.507 0.968 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353679391 867471210 /nfs/dbraw/zinc/47/12/10/867471210.db2.gz XLBIFTMYUYPFNF-IKGGRYGDSA-N 2 2 350.507 0.968 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC001353679391 867471214 /nfs/dbraw/zinc/47/12/14/867471214.db2.gz XLBIFTMYUYPFNF-IKGGRYGDSA-N 2 2 350.507 0.968 20 0 FCADLP O=C(NCC[NH+]1CC=CC1)c1cscc1C(=O)NCC[NH+]1CC=CC1 ZINC001353993171 867530517 /nfs/dbraw/zinc/53/05/17/867530517.db2.gz GTQCRGBEYTXCMR-UHFFFAOYSA-N 2 2 360.483 0.951 20 0 FCADLP CC(C)[N@@H+]1CCCN(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CC1 ZINC001355638567 867824541 /nfs/dbraw/zinc/82/45/41/867824541.db2.gz HKIWGGLIXUNMJQ-UHFFFAOYSA-N 2 2 350.511 0.940 20 0 FCADLP CC(C)[N@H+]1CCCN(c2nnc(C[NH+]3CCC(CO)CC3)n2C)CC1 ZINC001355638567 867824553 /nfs/dbraw/zinc/82/45/53/867824553.db2.gz HKIWGGLIXUNMJQ-UHFFFAOYSA-N 2 2 350.511 0.940 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC001320057055 868072214 /nfs/dbraw/zinc/07/22/14/868072214.db2.gz HORBTDQUJAFGTP-GFCCVEGCSA-N 2 2 365.865 0.732 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC001320057055 868072226 /nfs/dbraw/zinc/07/22/26/868072226.db2.gz HORBTDQUJAFGTP-GFCCVEGCSA-N 2 2 365.865 0.732 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC001321917767 868663532 /nfs/dbraw/zinc/66/35/32/868663532.db2.gz PHRMWNJUMLXFNE-AWEZNQCLSA-N 2 2 350.507 0.824 20 0 FCADLP COC(C)(C)CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001322203550 868762849 /nfs/dbraw/zinc/76/28/49/868762849.db2.gz YRZXVQKSARBPSV-UHFFFAOYSA-N 2 2 354.495 0.202 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725296 868920904 /nfs/dbraw/zinc/92/09/04/868920904.db2.gz SWXUKUCVACDJEL-LSDHHAIUSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725296 868920917 /nfs/dbraw/zinc/92/09/17/868920917.db2.gz SWXUKUCVACDJEL-LSDHHAIUSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725294 868921388 /nfs/dbraw/zinc/92/13/88/868921388.db2.gz SWXUKUCVACDJEL-HUUCEWRRSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001322725294 868921396 /nfs/dbraw/zinc/92/13/96/868921396.db2.gz SWXUKUCVACDJEL-HUUCEWRRSA-N 2 2 350.507 0.966 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326215118 870211766 /nfs/dbraw/zinc/21/17/66/870211766.db2.gz FDFNXPLZJSAJPK-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP CCN(CCSC)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326215118 870211779 /nfs/dbraw/zinc/21/17/79/870211779.db2.gz FDFNXPLZJSAJPK-MRXNPFEDSA-N 2 2 370.563 0.825 20 0 FCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001326395283 870291313 /nfs/dbraw/zinc/29/13/13/870291313.db2.gz ZDENQLKCODIBHH-ZDUSSCGKSA-N 2 2 363.443 0.633 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC001326451897 870324137 /nfs/dbraw/zinc/32/41/37/870324137.db2.gz QJYQDGDOJVHMCT-LSDHHAIUSA-N 2 2 356.486 0.868 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC001326451897 870324150 /nfs/dbraw/zinc/32/41/50/870324150.db2.gz QJYQDGDOJVHMCT-LSDHHAIUSA-N 2 2 356.486 0.868 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC001346289762 871753985 /nfs/dbraw/zinc/75/39/85/871753985.db2.gz ZMTSXGJOTWGIBE-JYJNAYRXSA-N 2 2 354.495 0.554 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001347186689 872209520 /nfs/dbraw/zinc/20/95/20/872209520.db2.gz NIKUXRCSWCFBSS-HZPDHXFCSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@H]1C[NH+](C)CCN1C ZINC001347186689 872209534 /nfs/dbraw/zinc/20/95/34/872209534.db2.gz NIKUXRCSWCFBSS-HZPDHXFCSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1C[N@H+](C)CCN1C ZINC001347186689 872209548 /nfs/dbraw/zinc/20/95/48/872209548.db2.gz NIKUXRCSWCFBSS-HZPDHXFCSA-N 2 2 355.527 0.373 20 0 FCADLP C[C@@H](NC(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001347186689 872209561 /nfs/dbraw/zinc/20/95/61/872209561.db2.gz NIKUXRCSWCFBSS-HZPDHXFCSA-N 2 2 355.527 0.373 20 0 FCADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001331121116 872969583 /nfs/dbraw/zinc/96/95/83/872969583.db2.gz YNRAJFHQPCNUQX-OWCLPIDISA-N 2 2 352.479 0.086 20 0 FCADLP C[C@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001331504349 873126954 /nfs/dbraw/zinc/12/69/54/873126954.db2.gz QJVNQGUDFCGFNF-HOCLYGCPSA-N 2 2 350.507 0.966 20 0 FCADLP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001331504348 873127428 /nfs/dbraw/zinc/12/74/28/873127428.db2.gz QJVNQGUDFCGFNF-GOEBONIOSA-N 2 2 350.507 0.966 20 0 FCADLP [NH3+]Cc1nc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cs1 ZINC001333262224 873881411 /nfs/dbraw/zinc/88/14/11/873881411.db2.gz PTQPCDCNVBGVAM-ZDUSSCGKSA-N 2 2 353.492 0.128 20 0 FCADLP [NH3+]Cc1nc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC001333262224 873881427 /nfs/dbraw/zinc/88/14/27/873881427.db2.gz PTQPCDCNVBGVAM-ZDUSSCGKSA-N 2 2 353.492 0.128 20 0 FCADLP Cn1nnnc1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826367091 948145937 /nfs/dbraw/zinc/14/59/37/948145937.db2.gz LMDUNBDYFAWWSX-UHFFFAOYSA-N 2 2 368.449 0.187 20 0 FCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918823 948857662 /nfs/dbraw/zinc/85/76/62/948857662.db2.gz RFAKUGMWEYNMNA-GFCCVEGCSA-N 2 2 355.406 0.277 20 0 FCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574919000 948865000 /nfs/dbraw/zinc/86/50/00/948865000.db2.gz TVCZNCLCELRNKD-ZDUSSCGKSA-N 2 2 369.433 0.880 20 0 FCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574920191 948890510 /nfs/dbraw/zinc/89/05/10/948890510.db2.gz FOGDNULFDICXDD-NSHDSACASA-N 2 2 374.474 0.889 20 0 FCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920861 948909539 /nfs/dbraw/zinc/90/95/39/948909539.db2.gz PQWMNDGHDNJWLC-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574941250 949298933 /nfs/dbraw/zinc/29/89/33/949298933.db2.gz CFIDNWJGBSSJHM-LLVKDONJSA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574941250 949298955 /nfs/dbraw/zinc/29/89/55/949298955.db2.gz CFIDNWJGBSSJHM-LLVKDONJSA-N 2 2 374.474 0.841 20 0 FCADLP C[C@H](CC(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574477140 949640204 /nfs/dbraw/zinc/64/02/04/949640204.db2.gz KGVKCNWRNCWHPP-GFCCVEGCSA-N 2 2 355.406 0.402 20 0 FCADLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574722758 949846724 /nfs/dbraw/zinc/84/67/24/949846724.db2.gz XCVCVOQYHQJDDU-ZDUSSCGKSA-N 2 2 369.433 0.619 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001570962884 950049568 /nfs/dbraw/zinc/04/95/68/950049568.db2.gz OEZKXFCPRLHLMI-LBPRGKRZSA-N 2 2 353.390 0.243 20 0 FCADLP C[C@H](CC(=O)N[C@@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574509179 950500958 /nfs/dbraw/zinc/50/09/58/950500958.db2.gz RSNANQWXIVBCOQ-NWDGAFQWSA-N 2 2 355.406 0.448 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205436 950521309 /nfs/dbraw/zinc/52/13/09/950521309.db2.gz IYAQSBGRCMNIHE-GOEBONIOSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205436 950521331 /nfs/dbraw/zinc/52/13/31/950521331.db2.gz IYAQSBGRCMNIHE-GOEBONIOSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205436 950521349 /nfs/dbraw/zinc/52/13/49/950521349.db2.gz IYAQSBGRCMNIHE-GOEBONIOSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576205436 950521370 /nfs/dbraw/zinc/52/13/70/950521370.db2.gz IYAQSBGRCMNIHE-GOEBONIOSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205991 950556073 /nfs/dbraw/zinc/55/60/73/950556073.db2.gz SLLYBJXYWHTQKR-PBHICJAKSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205991 950556092 /nfs/dbraw/zinc/55/60/92/950556092.db2.gz SLLYBJXYWHTQKR-PBHICJAKSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205991 950556110 /nfs/dbraw/zinc/55/61/10/950556110.db2.gz SLLYBJXYWHTQKR-PBHICJAKSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576205991 950556127 /nfs/dbraw/zinc/55/61/27/950556127.db2.gz SLLYBJXYWHTQKR-PBHICJAKSA-N 2 2 369.473 0.899 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001576206334 950572521 /nfs/dbraw/zinc/57/25/21/950572521.db2.gz WPAKKIOTMQABAD-CYBMUJFWSA-N 2 2 370.461 0.476 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(Nc3cc[nH+]cc3-c3nn[nH]n3)CCC2)C1 ZINC001576206334 950572538 /nfs/dbraw/zinc/57/25/38/950572538.db2.gz WPAKKIOTMQABAD-CYBMUJFWSA-N 2 2 370.461 0.476 20 0 FCADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001574513515 950609693 /nfs/dbraw/zinc/60/96/93/950609693.db2.gz RSNANQWXIVBCOQ-VXGBXAGGSA-N 2 2 355.406 0.448 20 0 FCADLP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001575927884 950758994 /nfs/dbraw/zinc/75/89/94/950758994.db2.gz VPKQCCMNZXSHMR-WFASDCNBSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@H]1[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001575927884 950759009 /nfs/dbraw/zinc/75/90/09/950759009.db2.gz VPKQCCMNZXSHMR-WFASDCNBSA-N 2 2 370.461 0.569 20 0 FCADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001571025760 951458402 /nfs/dbraw/zinc/45/84/02/951458402.db2.gz HTBGTWCKEMGNIG-SWLSCSKDSA-N 2 2 366.429 0.912 20 0 FCADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001571026352 951476895 /nfs/dbraw/zinc/47/68/95/951476895.db2.gz ZXONSIZNJKCBLQ-OAHLLOKOSA-N 2 2 366.429 0.796 20 0 FCADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001571026352 951476909 /nfs/dbraw/zinc/47/69/09/951476909.db2.gz ZXONSIZNJKCBLQ-OAHLLOKOSA-N 2 2 366.429 0.796 20 0 FCADLP C[C@@H](CC(=O)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001571033519 951580174 /nfs/dbraw/zinc/58/01/74/951580174.db2.gz YCHAQTWELXEANX-ZDUSSCGKSA-N 2 2 367.417 0.758 20 0 FCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088747 951742935 /nfs/dbraw/zinc/74/29/35/951742935.db2.gz CBQASTDLJAIURA-LLVKDONJSA-N 2 2 372.408 0.814 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001575091726 951782370 /nfs/dbraw/zinc/78/23/70/951782370.db2.gz WVTHCAMFERHRRR-LBPRGKRZSA-N 2 2 372.408 0.839 20 0 FCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575102668 951869465 /nfs/dbraw/zinc/86/94/65/951869465.db2.gz NZUKHQNEFCCGNI-LBPRGKRZSA-N 2 2 372.408 0.744 20 0 FCADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001575105578 951895780 /nfs/dbraw/zinc/89/57/80/951895780.db2.gz KTNMQOYYRCWQDI-LLVKDONJSA-N 2 2 372.408 0.908 20 0 FCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113995 951951238 /nfs/dbraw/zinc/95/12/38/951951238.db2.gz JZNSVSDMGCLXRC-GFCCVEGCSA-N 2 2 354.418 0.674 20 0 FCADLP C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001575143940 952160133 /nfs/dbraw/zinc/16/01/33/952160133.db2.gz DUEIOMLDCJLLDT-SFHVURJKSA-N 2 2 370.461 0.476 20 0 FCADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CCOC1 ZINC001571103899 952361586 /nfs/dbraw/zinc/36/15/86/952361586.db2.gz VQKYBSMRZRFRQD-WMZOPIPTSA-N 2 2 372.473 0.818 20 0 FCADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CCOC1 ZINC001571103898 952361910 /nfs/dbraw/zinc/36/19/10/952361910.db2.gz VQKYBSMRZRFRQD-SJLPKXTDSA-N 2 2 372.473 0.818 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266024799 210267864 /nfs/dbraw/zinc/26/78/64/210267864.db2.gz PYSSFIBOEQNPHD-CVEARBPZSA-N 2 2 373.453 0.298 20 0 FCADLP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266024799 210267869 /nfs/dbraw/zinc/26/78/69/210267869.db2.gz PYSSFIBOEQNPHD-CVEARBPZSA-N 2 2 373.453 0.298 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083140 214075034 /nfs/dbraw/zinc/07/50/34/214075034.db2.gz CONSKIAKWWXBFH-WBVHZDCISA-N 2 2 367.515 0.772 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000292083140 214075037 /nfs/dbraw/zinc/07/50/37/214075037.db2.gz CONSKIAKWWXBFH-WBVHZDCISA-N 2 2 367.515 0.772 20 0 FCADLP C[C@@H](O)CNc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc[nH+]1 ZINC000294425049 214243812 /nfs/dbraw/zinc/24/38/12/214243812.db2.gz OQTOUUWGZVBVRI-OAHLLOKOSA-N 2 2 362.478 0.404 20 0 FCADLP C[C@@H](O)CNc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc[nH+]1 ZINC000294425049 214243815 /nfs/dbraw/zinc/24/38/15/214243815.db2.gz OQTOUUWGZVBVRI-OAHLLOKOSA-N 2 2 362.478 0.404 20 0 FCADLP C[NH+](C)CCNS(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000294613120 214255400 /nfs/dbraw/zinc/25/54/00/214255400.db2.gz HYXMXSUGNCOAAM-UHFFFAOYSA-N 2 2 364.493 0.085 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nnn1-c1ccn(C)n1 ZINC000294618759 214256663 /nfs/dbraw/zinc/25/66/63/214256663.db2.gz FFPQVUVFCROBDV-UHFFFAOYSA-N 2 2 374.493 0.407 20 0 FCADLP Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nnn1-c1ccn(C)n1 ZINC000294618759 214256664 /nfs/dbraw/zinc/25/66/64/214256664.db2.gz FFPQVUVFCROBDV-UHFFFAOYSA-N 2 2 374.493 0.407 20 0 FCADLP CN1CC[NH+](Cc2ccc(C(=O)NCC[NH+]3CCC(O)CC3)cc2)CC1 ZINC000296889922 214368934 /nfs/dbraw/zinc/36/89/34/214368934.db2.gz JRTWNSLFYSQMTG-UHFFFAOYSA-N 2 2 360.502 0.621 20 0 FCADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000410712559 529696828 /nfs/dbraw/zinc/69/68/28/529696828.db2.gz FDOTZIQTWQPGBF-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@H]2C1 ZINC000410980190 529796378 /nfs/dbraw/zinc/79/63/78/529796378.db2.gz MVVABNVQSFHNBM-OIISXLGYSA-N 2 2 358.442 0.614 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)[C@H]2C1 ZINC000410980190 529796379 /nfs/dbraw/zinc/79/63/79/529796379.db2.gz MVVABNVQSFHNBM-OIISXLGYSA-N 2 2 358.442 0.614 20 0 FCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)CN1CCOCC1 ZINC000412098918 529833125 /nfs/dbraw/zinc/83/31/25/529833125.db2.gz YYPRQPFJTADHBS-UHFFFAOYSA-N 2 2 370.538 0.256 20 0 FCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)CN1CCOCC1 ZINC000412098918 529833126 /nfs/dbraw/zinc/83/31/26/529833126.db2.gz YYPRQPFJTADHBS-UHFFFAOYSA-N 2 2 370.538 0.256 20 0 FCADLP O=C(CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000290723028 213985615 /nfs/dbraw/zinc/98/56/15/213985615.db2.gz WPAFPZAWQILYPD-IAGOWNOFSA-N 2 2 371.485 0.578 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410912402 529900636 /nfs/dbraw/zinc/90/06/36/529900636.db2.gz GHKGDSSDGYZJFP-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000410912402 529900638 /nfs/dbraw/zinc/90/06/38/529900638.db2.gz GHKGDSSDGYZJFP-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410912402 529900639 /nfs/dbraw/zinc/90/06/39/529900639.db2.gz GHKGDSSDGYZJFP-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410912402 529900640 /nfs/dbraw/zinc/90/06/40/529900640.db2.gz GHKGDSSDGYZJFP-UHFFFAOYSA-N 2 2 354.495 0.108 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000410915773 529900862 /nfs/dbraw/zinc/90/08/62/529900862.db2.gz ONJMGHJWMPHJAX-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000410915773 529900863 /nfs/dbraw/zinc/90/08/63/529900863.db2.gz ONJMGHJWMPHJAX-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410915773 529900864 /nfs/dbraw/zinc/90/08/64/529900864.db2.gz ONJMGHJWMPHJAX-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000410915773 529900866 /nfs/dbraw/zinc/90/08/66/529900866.db2.gz ONJMGHJWMPHJAX-IBGZPJMESA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000410915776 529900971 /nfs/dbraw/zinc/90/09/71/529900971.db2.gz ONJMGHJWMPHJAX-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000410915776 529900972 /nfs/dbraw/zinc/90/09/72/529900972.db2.gz ONJMGHJWMPHJAX-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410915776 529900973 /nfs/dbraw/zinc/90/09/73/529900973.db2.gz ONJMGHJWMPHJAX-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000410915776 529900974 /nfs/dbraw/zinc/90/09/74/529900974.db2.gz ONJMGHJWMPHJAX-LJQANCHMSA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+]1CCN(C(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000410836436 530066167 /nfs/dbraw/zinc/06/61/67/530066167.db2.gz RPNNBRBIIZRQDQ-UHFFFAOYSA-N 2 2 366.506 0.111 20 0 FCADLP CN(C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330518192 214966222 /nfs/dbraw/zinc/96/62/22/214966222.db2.gz MXDVNLOUPFNVMD-OAHLLOKOSA-N 2 2 360.524 0.183 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCCCC1 ZINC000331385853 214988021 /nfs/dbraw/zinc/98/80/21/214988021.db2.gz HWZXLFKKHBQWJE-XHSDSOJGSA-N 2 2 350.507 0.953 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000265373334 210111111 /nfs/dbraw/zinc/11/11/11/210111111.db2.gz AWUANZPJVBBYGC-MRXNPFEDSA-N 2 2 373.501 0.460 20 0 FCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000331535167 215012299 /nfs/dbraw/zinc/01/22/99/215012299.db2.gz MCZSIZQVLRCIIX-CQSZACIVSA-N 2 2 374.493 0.925 20 0 FCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000331659286 215029741 /nfs/dbraw/zinc/02/97/41/215029741.db2.gz XXCMJSVXNHDICB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000331659286 215029744 /nfs/dbraw/zinc/02/97/44/215029744.db2.gz XXCMJSVXNHDICB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000331659286 215029745 /nfs/dbraw/zinc/02/97/45/215029745.db2.gz XXCMJSVXNHDICB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000331659286 215029747 /nfs/dbraw/zinc/02/97/47/215029747.db2.gz XXCMJSVXNHDICB-IXDOHACOSA-N 2 2 366.506 0.251 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265204965 210074337 /nfs/dbraw/zinc/07/43/37/210074337.db2.gz KITVVBMEDBPJQI-IBGZPJMESA-N 2 2 361.486 0.804 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](OCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265204965 210074339 /nfs/dbraw/zinc/07/43/39/210074339.db2.gz KITVVBMEDBPJQI-IBGZPJMESA-N 2 2 361.486 0.804 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331678812 215033085 /nfs/dbraw/zinc/03/30/85/215033085.db2.gz QAOMIARGKHKHNO-HZPDHXFCSA-N 2 2 364.515 0.897 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(Cc3cscn3)CC2)CC1 ZINC000331911837 215066394 /nfs/dbraw/zinc/06/63/94/215066394.db2.gz YEZKRIFEJWDCFW-UHFFFAOYSA-N 2 2 351.520 0.861 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265049724 210045095 /nfs/dbraw/zinc/04/50/95/210045095.db2.gz CEMBKBXZQUQVBG-CYBMUJFWSA-N 2 2 358.402 0.043 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332036196 215081945 /nfs/dbraw/zinc/08/19/45/215081945.db2.gz IKOILHCQLLFLFX-UKRRQHHQSA-N 2 2 360.462 0.033 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332036196 215081948 /nfs/dbraw/zinc/08/19/48/215081948.db2.gz IKOILHCQLLFLFX-UKRRQHHQSA-N 2 2 360.462 0.033 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000332090288 215092439 /nfs/dbraw/zinc/09/24/39/215092439.db2.gz UXPIGWMVUDKYEF-OLZOCXBDSA-N 2 2 361.446 0.374 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3C[C@H](C)[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000332176213 215105695 /nfs/dbraw/zinc/10/56/95/215105695.db2.gz XKJWYMNPAYNZHH-DZGCQCFKSA-N 2 2 374.489 0.363 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000332368722 215137632 /nfs/dbraw/zinc/13/76/32/215137632.db2.gz UURPVIAGTULJQP-VQHPVUNQSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000332517724 215165916 /nfs/dbraw/zinc/16/59/16/215165916.db2.gz IJAUTQDUDJNUTP-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000332517724 215165917 /nfs/dbraw/zinc/16/59/17/215165917.db2.gz IJAUTQDUDJNUTP-INIZCTEOSA-N 2 2 358.486 0.930 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@H]1C ZINC000332519459 215166148 /nfs/dbraw/zinc/16/61/48/215166148.db2.gz BMUGVGHAMCBFKT-HUUCEWRRSA-N 2 2 374.489 0.375 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C[C@H]1C ZINC000332519459 215166150 /nfs/dbraw/zinc/16/61/50/215166150.db2.gz BMUGVGHAMCBFKT-HUUCEWRRSA-N 2 2 374.489 0.375 20 0 FCADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000332517675 215166474 /nfs/dbraw/zinc/16/64/74/215166474.db2.gz IGOMGXUAQYQPHJ-INIZCTEOSA-N 2 2 362.474 0.764 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000332519464 215166771 /nfs/dbraw/zinc/16/67/71/215166771.db2.gz BNECVLJXGKYMLK-IYBDPMFKSA-N 2 2 359.474 0.590 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000332519464 215166773 /nfs/dbraw/zinc/16/67/73/215166773.db2.gz BNECVLJXGKYMLK-IYBDPMFKSA-N 2 2 359.474 0.590 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000332542579 215174993 /nfs/dbraw/zinc/17/49/93/215174993.db2.gz XXNVYTHOYMDUPB-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000332542579 215174995 /nfs/dbraw/zinc/17/49/95/215174995.db2.gz XXNVYTHOYMDUPB-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000332563239 215179967 /nfs/dbraw/zinc/17/99/67/215179967.db2.gz XSFNDBQLRQSCEE-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000332563239 215179969 /nfs/dbraw/zinc/17/99/69/215179969.db2.gz XSFNDBQLRQSCEE-ZACQAIPSSA-N 2 2 358.486 0.928 20 0 FCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C2 ZINC000332608193 215189514 /nfs/dbraw/zinc/18/95/14/215189514.db2.gz FFCATDWIJXOROX-KGLIPLIRSA-N 2 2 361.490 0.872 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332665250 215200266 /nfs/dbraw/zinc/20/02/66/215200266.db2.gz PAENFFXAZMWKNN-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000332665250 215200270 /nfs/dbraw/zinc/20/02/70/215200270.db2.gz PAENFFXAZMWKNN-YYIAUSFCSA-N 2 2 366.506 0.107 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333164506 215243545 /nfs/dbraw/zinc/24/35/45/215243545.db2.gz OIRWPHUNDLZYGV-INIZCTEOSA-N 2 2 372.535 0.087 20 0 FCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000333164506 215243547 /nfs/dbraw/zinc/24/35/47/215243547.db2.gz OIRWPHUNDLZYGV-INIZCTEOSA-N 2 2 372.535 0.087 20 0 FCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CCO1 ZINC000333140164 215240847 /nfs/dbraw/zinc/24/08/47/215240847.db2.gz KDOKOFFWXKTZBT-QLFBSQMISA-N 2 2 353.467 0.491 20 0 FCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CCO1 ZINC000333140164 215240849 /nfs/dbraw/zinc/24/08/49/215240849.db2.gz KDOKOFFWXKTZBT-QLFBSQMISA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000333140164 215240852 /nfs/dbraw/zinc/24/08/52/215240852.db2.gz KDOKOFFWXKTZBT-QLFBSQMISA-N 2 2 353.467 0.491 20 0 FCADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000333140164 215240855 /nfs/dbraw/zinc/24/08/55/215240855.db2.gz KDOKOFFWXKTZBT-QLFBSQMISA-N 2 2 353.467 0.491 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000333175455 215247178 /nfs/dbraw/zinc/24/71/78/215247178.db2.gz QYAHPRLXTOHRCP-UHFFFAOYSA-N 2 2 366.506 0.605 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333300112 215259775 /nfs/dbraw/zinc/25/97/75/215259775.db2.gz IVJGJARFMXEXAS-KSSFIOAISA-N 2 2 359.478 0.882 20 0 FCADLP CNc1cc(N2CCC[C@H]2CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333300112 215259779 /nfs/dbraw/zinc/25/97/79/215259779.db2.gz IVJGJARFMXEXAS-KSSFIOAISA-N 2 2 359.478 0.882 20 0 FCADLP CN(C)c1nc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc[nH+]1 ZINC000333301069 215261823 /nfs/dbraw/zinc/26/18/23/215261823.db2.gz MKAIYNJCHONTSJ-AWEZNQCLSA-N 2 2 355.446 0.650 20 0 FCADLP C[C@H](NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333386636 215273238 /nfs/dbraw/zinc/27/32/38/215273238.db2.gz OFWKFWOXZHRGQQ-VYMRPNJYSA-N 2 2 367.538 0.611 20 0 FCADLP C[C@H](NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333386636 215273242 /nfs/dbraw/zinc/27/32/42/215273242.db2.gz OFWKFWOXZHRGQQ-VYMRPNJYSA-N 2 2 367.538 0.611 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000333386630 215273593 /nfs/dbraw/zinc/27/35/93/215273593.db2.gz OFWKFWOXZHRGQQ-KNXWPPODSA-N 2 2 367.538 0.611 20 0 FCADLP C[C@H]([C@H](C)NC(=O)NC1CCC([NH+]2CCNCC2)CC1)[NH+]1CCOCC1 ZINC000333386630 215273596 /nfs/dbraw/zinc/27/35/96/215273596.db2.gz OFWKFWOXZHRGQQ-KNXWPPODSA-N 2 2 367.538 0.611 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333496770 215289966 /nfs/dbraw/zinc/28/99/66/215289966.db2.gz CCHMHKRLJKTNKO-BRWVUGGUSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333496770 215289969 /nfs/dbraw/zinc/28/99/69/215289969.db2.gz CCHMHKRLJKTNKO-BRWVUGGUSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000333686058 215309126 /nfs/dbraw/zinc/30/91/26/215309126.db2.gz PHIRQLVRBMNWHO-GVDBMIGSSA-N 2 2 365.522 0.713 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000333695407 215309615 /nfs/dbraw/zinc/30/96/15/215309615.db2.gz QDTKBMPTGGCCCL-IXDOHACOSA-N 2 2 365.522 0.985 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000334021471 215336521 /nfs/dbraw/zinc/33/65/21/215336521.db2.gz DFENIAQPCZPDRC-IRXDYDNUSA-N 2 2 368.522 0.774 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092241 215344493 /nfs/dbraw/zinc/34/44/93/215344493.db2.gz OLKZGVCYFAUVMB-KFWWJZLASA-N 2 2 360.462 0.837 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c2[nH+]ccn21 ZINC000334092241 215344497 /nfs/dbraw/zinc/34/44/97/215344497.db2.gz OLKZGVCYFAUVMB-KFWWJZLASA-N 2 2 360.462 0.837 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[NH+]1CCOCC1 ZINC000285652510 213373381 /nfs/dbraw/zinc/37/33/81/213373381.db2.gz OJJGBOWZBKUPFN-INIZCTEOSA-N 2 2 373.457 0.424 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000285654741 213372648 /nfs/dbraw/zinc/37/26/48/213372648.db2.gz CMNOEPJFFSCTIU-KRWDZBQOSA-N 2 2 369.469 0.717 20 0 FCADLP Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000285654741 213372656 /nfs/dbraw/zinc/37/26/56/213372656.db2.gz CMNOEPJFFSCTIU-KRWDZBQOSA-N 2 2 369.469 0.717 20 0 FCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443027 213342578 /nfs/dbraw/zinc/34/25/78/213342578.db2.gz ZCLOGPUHKBPREQ-HOTGVXAUSA-N 2 2 359.474 0.943 20 0 FCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000285443027 213342580 /nfs/dbraw/zinc/34/25/80/213342580.db2.gz ZCLOGPUHKBPREQ-HOTGVXAUSA-N 2 2 359.474 0.943 20 0 FCADLP CC1CC[NH+](CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000285272035 213314699 /nfs/dbraw/zinc/31/46/99/213314699.db2.gz SQOWWNLYUNOMSE-RHSMWYFYSA-N 2 2 362.478 0.771 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000285202667 213301671 /nfs/dbraw/zinc/30/16/71/213301671.db2.gz LOKJSQLSFLKWNB-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000285202667 213301674 /nfs/dbraw/zinc/30/16/74/213301674.db2.gz LOKJSQLSFLKWNB-CQSZACIVSA-N 2 2 364.515 0.775 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000285065227 213276537 /nfs/dbraw/zinc/27/65/37/213276537.db2.gz JAYRUNPHMRWKIY-INMHGKMJSA-N 2 2 359.474 0.893 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000285065227 213276540 /nfs/dbraw/zinc/27/65/40/213276540.db2.gz JAYRUNPHMRWKIY-INMHGKMJSA-N 2 2 359.474 0.893 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000285040484 213271170 /nfs/dbraw/zinc/27/11/70/213271170.db2.gz VDZZZWNKGLYGOZ-UHFFFAOYSA-N 2 2 357.458 0.982 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000284715170 213203561 /nfs/dbraw/zinc/20/35/61/213203561.db2.gz XTYKNIBPCRRQTP-OAHLLOKOSA-N 2 2 361.421 0.937 20 0 FCADLP C[C@@H](CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000284513689 213157768 /nfs/dbraw/zinc/15/77/68/213157768.db2.gz STHOWDWIWSBQQK-LSDHHAIUSA-N 2 2 366.462 0.083 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000284406484 213131391 /nfs/dbraw/zinc/13/13/91/213131391.db2.gz WTGJGESQJJHTDU-GASCZTMLSA-N 2 2 365.478 0.265 20 0 FCADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000284406484 213131397 /nfs/dbraw/zinc/13/13/97/213131397.db2.gz WTGJGESQJJHTDU-GASCZTMLSA-N 2 2 365.478 0.265 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417721 213134929 /nfs/dbraw/zinc/13/49/29/213134929.db2.gz XQMSPGFXRPDTCQ-HUUCEWRRSA-N 2 2 368.503 0.304 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000284417721 213134933 /nfs/dbraw/zinc/13/49/33/213134933.db2.gz XQMSPGFXRPDTCQ-HUUCEWRRSA-N 2 2 368.503 0.304 20 0 FCADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288938 213104994 /nfs/dbraw/zinc/10/49/94/213104994.db2.gz MLZPGPRIJGHMIN-JKSUJKDBSA-N 2 2 357.458 0.473 20 0 FCADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000284288938 213104998 /nfs/dbraw/zinc/10/49/98/213104998.db2.gz MLZPGPRIJGHMIN-JKSUJKDBSA-N 2 2 357.458 0.473 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284177830 213091052 /nfs/dbraw/zinc/09/10/52/213091052.db2.gz YZLZESLHNSCQRK-UHFFFAOYSA-N 2 2 361.446 0.030 20 0 FCADLP CN(C)c1ccc(CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c[nH+]1 ZINC000284024013 213057793 /nfs/dbraw/zinc/05/77/93/213057793.db2.gz JRSKBUYLRNAEAM-KRWDZBQOSA-N 2 2 365.503 0.317 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000284014332 213054907 /nfs/dbraw/zinc/05/49/07/213054907.db2.gz PTHRABFNHPNFBL-UHFFFAOYSA-N 2 2 355.442 0.652 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283988814 213049691 /nfs/dbraw/zinc/04/96/91/213049691.db2.gz NAVBYOCNHLIVBD-OAHLLOKOSA-N 2 2 357.458 0.984 20 0 FCADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000283991965 213049728 /nfs/dbraw/zinc/04/97/28/213049728.db2.gz OQZSNZHJYGCXHZ-RDJZCZTQSA-N 2 2 355.442 0.779 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000283999841 213052007 /nfs/dbraw/zinc/05/20/07/213052007.db2.gz QBPDNZCDAYQMPJ-RDJZCZTQSA-N 2 2 355.442 0.903 20 0 FCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000283999841 213052009 /nfs/dbraw/zinc/05/20/09/213052009.db2.gz QBPDNZCDAYQMPJ-RDJZCZTQSA-N 2 2 355.442 0.903 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000283806334 213011701 /nfs/dbraw/zinc/01/17/01/213011701.db2.gz IHUBRCHZILPJFI-ILXRZTDVSA-N 2 2 365.478 0.392 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000412093880 237165030 /nfs/dbraw/zinc/16/50/30/237165030.db2.gz PKCGHUHHYIZSGN-ZYGGUILKSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000412093880 237165034 /nfs/dbraw/zinc/16/50/34/237165034.db2.gz PKCGHUHHYIZSGN-ZYGGUILKSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000412093880 237165035 /nfs/dbraw/zinc/16/50/35/237165035.db2.gz PKCGHUHHYIZSGN-ZYGGUILKSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000412093880 237165044 /nfs/dbraw/zinc/16/50/44/237165044.db2.gz PKCGHUHHYIZSGN-ZYGGUILKSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@]2(CCCOC2)O1 ZINC000366620474 216005230 /nfs/dbraw/zinc/00/52/30/216005230.db2.gz RFFHEGSCXWPBPZ-APWZRJJASA-N 2 2 368.522 0.992 20 0 FCADLP COCC(COC)[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000413603886 237361462 /nfs/dbraw/zinc/36/14/62/237361462.db2.gz HTLLCPMRHLEQJA-UHFFFAOYSA-N 2 2 361.446 0.823 20 0 FCADLP COCC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[NH2+]CC1 ZINC000262366179 209576241 /nfs/dbraw/zinc/57/62/41/209576241.db2.gz LDGHXTLVGQYGTH-QGZVFWFLSA-N 2 2 357.520 0.327 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000367026795 216065641 /nfs/dbraw/zinc/06/56/41/216065641.db2.gz CRHHQMJFVLWSBP-GBESFXJTSA-N 3 2 365.566 0.497 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000367026795 216065645 /nfs/dbraw/zinc/06/56/45/216065645.db2.gz CRHHQMJFVLWSBP-GBESFXJTSA-N 3 2 365.566 0.497 20 0 FCADLP C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030316 216065967 /nfs/dbraw/zinc/06/59/67/216065967.db2.gz PYLPXXVQDJZHCM-CVEARBPZSA-N 2 2 365.522 0.665 20 0 FCADLP C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030316 216065971 /nfs/dbraw/zinc/06/59/71/216065971.db2.gz PYLPXXVQDJZHCM-CVEARBPZSA-N 2 2 365.522 0.665 20 0 FCADLP CCN(C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000367200248 216089660 /nfs/dbraw/zinc/08/96/60/216089660.db2.gz NMMDCXUBSUDRDG-MRXNPFEDSA-N 2 2 371.547 0.830 20 0 FCADLP CCN(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000367200248 216089663 /nfs/dbraw/zinc/08/96/63/216089663.db2.gz NMMDCXUBSUDRDG-MRXNPFEDSA-N 2 2 371.547 0.830 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000367275576 216101623 /nfs/dbraw/zinc/10/16/23/216101623.db2.gz WRJDKMQLEURWOY-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000367275576 216101628 /nfs/dbraw/zinc/10/16/28/216101628.db2.gz WRJDKMQLEURWOY-HNNXBMFYSA-N 2 2 370.494 0.376 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000367295941 216103908 /nfs/dbraw/zinc/10/39/08/216103908.db2.gz MZPBJGMMGYAZBA-RDJZCZTQSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000367295941 216103910 /nfs/dbraw/zinc/10/39/10/216103910.db2.gz MZPBJGMMGYAZBA-RDJZCZTQSA-N 2 2 365.449 0.980 20 0 FCADLP CCN(C(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000261986115 209505674 /nfs/dbraw/zinc/50/56/74/209505674.db2.gz JXZHCIIXVZMUES-HOCLYGCPSA-N 2 2 359.536 0.732 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1)[NH+]1CCOCC1 ZINC000367823996 216166882 /nfs/dbraw/zinc/16/68/82/216166882.db2.gz PXIQQAVGMIFLJD-KRWDZBQOSA-N 2 2 353.507 0.962 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1)[NH+]1CCOCC1 ZINC000367823996 216166883 /nfs/dbraw/zinc/16/68/83/216166883.db2.gz PXIQQAVGMIFLJD-KRWDZBQOSA-N 2 2 353.507 0.962 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000246537528 209389091 /nfs/dbraw/zinc/38/90/91/209389091.db2.gz XEURHWVUFLHQBQ-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000246537528 209389096 /nfs/dbraw/zinc/38/90/96/209389096.db2.gz XEURHWVUFLHQBQ-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000245446539 209368368 /nfs/dbraw/zinc/36/83/68/209368368.db2.gz LGBWEXPZFYWXBO-WMZOPIPTSA-N 2 2 350.507 0.873 20 0 FCADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000245446539 209368371 /nfs/dbraw/zinc/36/83/71/209368371.db2.gz LGBWEXPZFYWXBO-WMZOPIPTSA-N 2 2 350.507 0.873 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000245415825 209367848 /nfs/dbraw/zinc/36/78/48/209367848.db2.gz DOJIHVWPGJUSFU-IRXDYDNUSA-N 2 2 361.490 0.117 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000245415825 209367851 /nfs/dbraw/zinc/36/78/51/209367851.db2.gz DOJIHVWPGJUSFU-IRXDYDNUSA-N 2 2 361.490 0.117 20 0 FCADLP CC[NH+]1CCN(C(=O)c2cncc(C(=O)N3CC[NH+](CC)CC3)c2)CC1 ZINC000243967891 209365159 /nfs/dbraw/zinc/36/51/59/209365159.db2.gz SBMBSMWGSLITOU-UHFFFAOYSA-N 2 2 359.474 0.637 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246392618 209384169 /nfs/dbraw/zinc/38/41/69/209384169.db2.gz ITQXVAYJDHKIDF-QZTJIDSGSA-N 2 2 362.474 0.690 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246392618 209384171 /nfs/dbraw/zinc/38/41/71/209384171.db2.gz ITQXVAYJDHKIDF-QZTJIDSGSA-N 2 2 362.474 0.690 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246299463 209383712 /nfs/dbraw/zinc/38/37/12/209383712.db2.gz BWNUXHZZAQBXQK-CVEARBPZSA-N 2 2 362.474 0.836 20 0 FCADLP C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246299463 209383716 /nfs/dbraw/zinc/38/37/16/209383716.db2.gz BWNUXHZZAQBXQK-CVEARBPZSA-N 2 2 362.474 0.836 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246299488 209382427 /nfs/dbraw/zinc/38/24/27/209382427.db2.gz BWNUXHZZAQBXQK-HOTGVXAUSA-N 2 2 362.474 0.836 20 0 FCADLP C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246299488 209382430 /nfs/dbraw/zinc/38/24/30/209382430.db2.gz BWNUXHZZAQBXQK-HOTGVXAUSA-N 2 2 362.474 0.836 20 0 FCADLP C[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000246189193 209382100 /nfs/dbraw/zinc/38/21/00/209382100.db2.gz CZKQLMSLEDOSCA-IXDOHACOSA-N 2 2 366.506 0.062 20 0 FCADLP C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1(C)C ZINC000368245627 216223013 /nfs/dbraw/zinc/22/30/13/216223013.db2.gz ROIILEJYIVOSLP-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP C[N@H+]1CCN(CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1(C)C ZINC000368245627 216223014 /nfs/dbraw/zinc/22/30/14/216223014.db2.gz ROIILEJYIVOSLP-KRWDZBQOSA-N 2 2 367.538 0.519 20 0 FCADLP O=C(C[NH2+]C[C@H]1CCCO1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000237926985 209361007 /nfs/dbraw/zinc/36/10/07/209361007.db2.gz MKKYEJXHMUDNSP-GOSISDBHSA-N 2 2 374.485 0.974 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000237735761 209357333 /nfs/dbraw/zinc/35/73/33/209357333.db2.gz QVZPGWJHBRXABI-MRXNPFEDSA-N 2 2 365.441 0.582 20 0 FCADLP C[C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237434033 209352630 /nfs/dbraw/zinc/35/26/30/209352630.db2.gz DPDSEACYAPYQRP-IRXDYDNUSA-N 2 2 360.506 0.741 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237492674 209352140 /nfs/dbraw/zinc/35/21/40/209352140.db2.gz AQZDDANYGHIVOP-WMZOPIPTSA-N 2 2 358.486 0.884 20 0 FCADLP Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000236671129 209342751 /nfs/dbraw/zinc/34/27/51/209342751.db2.gz NXPFMQRRGSGWNX-INIZCTEOSA-N 2 2 364.494 0.598 20 0 FCADLP CCOC1CC(CNC(=O)NCC2CC[NH+](C)CC2)([NH+]2CCOCC2)C1 ZINC000193618236 209316064 /nfs/dbraw/zinc/31/60/64/209316064.db2.gz DBLUCSVUAZVQCX-UHFFFAOYSA-N 2 2 368.522 0.897 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391866 216240366 /nfs/dbraw/zinc/24/03/66/216240366.db2.gz YKQRYJJVZKHHDC-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP CCC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000368391866 216240370 /nfs/dbraw/zinc/24/03/70/216240370.db2.gz YKQRYJJVZKHHDC-DOTOQJQBSA-N 2 2 365.522 0.807 20 0 FCADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368681205 216281495 /nfs/dbraw/zinc/28/14/95/216281495.db2.gz VCLCRHPOEQFRSI-INIZCTEOSA-N 2 2 353.507 0.983 20 0 FCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000192102677 209296583 /nfs/dbraw/zinc/29/65/83/209296583.db2.gz UWYBXDVACXKDED-CHWSQXEVSA-N 2 2 354.476 0.545 20 0 FCADLP C[C@@H](C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)[C@H](C)[NH3+] ZINC000192111638 209295785 /nfs/dbraw/zinc/29/57/85/209295785.db2.gz IQXSWGCXWWROHZ-KGLIPLIRSA-N 2 2 350.438 0.683 20 0 FCADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000192102681 209296258 /nfs/dbraw/zinc/29/62/58/209296258.db2.gz UWYBXDVACXKDED-STQMWFEESA-N 2 2 354.476 0.545 20 0 FCADLP CN(C)c1noc(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000368798652 216296923 /nfs/dbraw/zinc/29/69/23/216296923.db2.gz SACPGPALAHEAFS-ZDUSSCGKSA-N 2 2 350.467 0.353 20 0 FCADLP CN(C)c1noc(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000368798652 216296925 /nfs/dbraw/zinc/29/69/25/216296925.db2.gz SACPGPALAHEAFS-ZDUSSCGKSA-N 2 2 350.467 0.353 20 0 FCADLP CC(C)NS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000368897482 216315089 /nfs/dbraw/zinc/31/50/89/216315089.db2.gz RMEHWEWSDDNEFS-UHFFFAOYSA-N 2 2 355.508 0.468 20 0 FCADLP CC(C)[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+]1CCOCC1 ZINC000368981449 216328671 /nfs/dbraw/zinc/32/86/71/216328671.db2.gz UHXOFXLIZVHCTK-OKZBNKHCSA-N 2 2 368.522 0.584 20 0 FCADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000369022979 216333158 /nfs/dbraw/zinc/33/31/58/216333158.db2.gz KYRACCKUQUNWNO-LJQANCHMSA-N 2 2 374.485 0.204 20 0 FCADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000369022979 216333161 /nfs/dbraw/zinc/33/31/61/216333161.db2.gz KYRACCKUQUNWNO-LJQANCHMSA-N 2 2 374.485 0.204 20 0 FCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000369153804 216354801 /nfs/dbraw/zinc/35/48/01/216354801.db2.gz SBUVQSKCYHMAJQ-WMZOPIPTSA-N 2 2 351.491 0.811 20 0 FCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000369153804 216354803 /nfs/dbraw/zinc/35/48/03/216354803.db2.gz SBUVQSKCYHMAJQ-WMZOPIPTSA-N 2 2 351.491 0.811 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(=O)Nc3cccnc3)C2)CC1 ZINC000369371204 216391133 /nfs/dbraw/zinc/39/11/33/216391133.db2.gz TYYLOCUJCMVATL-OAHLLOKOSA-N 2 2 360.462 0.488 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(=O)Nc3cccnc3)C2)CC1 ZINC000369371204 216391136 /nfs/dbraw/zinc/39/11/36/216391136.db2.gz TYYLOCUJCMVATL-OAHLLOKOSA-N 2 2 360.462 0.488 20 0 FCADLP CNS(=O)(=O)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000190306156 209270776 /nfs/dbraw/zinc/27/07/76/209270776.db2.gz FMXOUUZLIUEHJY-UHFFFAOYSA-N 2 2 360.911 0.731 20 0 FCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000189846101 209260949 /nfs/dbraw/zinc/26/09/49/209260949.db2.gz IXRPMGIQFYKKMW-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000189846101 209260952 /nfs/dbraw/zinc/26/09/52/209260952.db2.gz IXRPMGIQFYKKMW-QGZVFWFLSA-N 2 2 373.501 0.967 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000189705743 209257202 /nfs/dbraw/zinc/25/72/02/209257202.db2.gz AXUVHVCWMRSJAQ-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000189705743 209257204 /nfs/dbraw/zinc/25/72/04/209257204.db2.gz AXUVHVCWMRSJAQ-PKOBYXMFSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](O)C[NH+]1CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000189426876 209252768 /nfs/dbraw/zinc/25/27/68/209252768.db2.gz VQPMZGOUWHTNKA-KRWDZBQOSA-N 2 2 361.490 0.119 20 0 FCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000188504813 209232065 /nfs/dbraw/zinc/23/20/65/209232065.db2.gz LKNIZHZGRBEFJD-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000188504813 209232067 /nfs/dbraw/zinc/23/20/67/209232067.db2.gz LKNIZHZGRBEFJD-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000188504813 209232068 /nfs/dbraw/zinc/23/20/68/209232068.db2.gz LKNIZHZGRBEFJD-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000188504813 209232071 /nfs/dbraw/zinc/23/20/71/209232071.db2.gz LKNIZHZGRBEFJD-OAHLLOKOSA-N 2 2 356.511 0.584 20 0 FCADLP Cn1nccc1CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000276321929 212211661 /nfs/dbraw/zinc/21/16/61/212211661.db2.gz OWAFHPNJFQOXIZ-UHFFFAOYSA-N 2 2 357.462 0.411 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433937 674114682 /nfs/dbraw/zinc/11/46/82/674114682.db2.gz KEEMZCGNLCBDOF-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433937 674114684 /nfs/dbraw/zinc/11/46/84/674114684.db2.gz KEEMZCGNLCBDOF-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433937 674114685 /nfs/dbraw/zinc/11/46/85/674114685.db2.gz KEEMZCGNLCBDOF-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433937 674114687 /nfs/dbraw/zinc/11/46/87/674114687.db2.gz KEEMZCGNLCBDOF-HZSPNIEDSA-N 2 2 366.487 0.545 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707906 212076966 /nfs/dbraw/zinc/07/69/66/212076966.db2.gz NYOATOBVQAUOAV-UONOGXRCSA-N 2 2 364.519 0.529 20 0 FCADLP C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)[NH+]1CCSCC1 ZINC000275707906 212076967 /nfs/dbraw/zinc/07/69/67/212076967.db2.gz NYOATOBVQAUOAV-UONOGXRCSA-N 2 2 364.519 0.529 20 0 FCADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000275625890 212063729 /nfs/dbraw/zinc/06/37/29/212063729.db2.gz JIFDPKMIAGFWDO-HNNXBMFYSA-N 2 2 364.519 0.741 20 0 FCADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000275625890 212063731 /nfs/dbraw/zinc/06/37/31/212063731.db2.gz JIFDPKMIAGFWDO-HNNXBMFYSA-N 2 2 364.519 0.741 20 0 FCADLP C[C@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)N1CC[NH+](C)CC1 ZINC000275574620 212053843 /nfs/dbraw/zinc/05/38/43/212053843.db2.gz JBLVRSQTBSRTRA-CVEARBPZSA-N 2 2 361.490 0.763 20 0 FCADLP COCCC[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000275537250 212045885 /nfs/dbraw/zinc/04/58/85/212045885.db2.gz YDFJBPSKICZJJW-UHFFFAOYSA-N 2 2 350.463 0.451 20 0 FCADLP COCCC[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000275537250 212045887 /nfs/dbraw/zinc/04/58/87/212045887.db2.gz YDFJBPSKICZJJW-UHFFFAOYSA-N 2 2 350.463 0.451 20 0 FCADLP Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)n1C ZINC000373276475 217003293 /nfs/dbraw/zinc/00/32/93/217003293.db2.gz VDDZYXUFRRUQCF-INIZCTEOSA-N 2 2 361.490 0.661 20 0 FCADLP Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)n1C ZINC000373276475 217003296 /nfs/dbraw/zinc/00/32/96/217003296.db2.gz VDDZYXUFRRUQCF-INIZCTEOSA-N 2 2 361.490 0.661 20 0 FCADLP Cn1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC(F)F ZINC000373352629 217010881 /nfs/dbraw/zinc/01/08/81/217010881.db2.gz GCXCLBYTUFQKKM-LLVKDONJSA-N 2 2 357.405 0.920 20 0 FCADLP C[NH+](C)CC1(O)CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000931482490 674116969 /nfs/dbraw/zinc/11/69/69/674116969.db2.gz VOGIBAVUXVDIJX-UHFFFAOYSA-N 2 2 364.508 0.131 20 0 FCADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483650 674117222 /nfs/dbraw/zinc/11/72/22/674117222.db2.gz FSAWODRCEDFYTB-LLVKDONJSA-N 2 2 354.476 0.563 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCOCC1 ZINC000414681407 245310137 /nfs/dbraw/zinc/31/01/37/245310137.db2.gz OZRRESMBZHHWTI-GOSISDBHSA-N 2 2 374.485 0.744 20 0 FCADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746236 245317876 /nfs/dbraw/zinc/31/78/76/245317876.db2.gz YRKDJURZDHSXMP-SJLPKXTDSA-N 2 2 356.474 0.936 20 0 FCADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1 ZINC000414746236 245317890 /nfs/dbraw/zinc/31/78/90/245317890.db2.gz YRKDJURZDHSXMP-SJLPKXTDSA-N 2 2 356.474 0.936 20 0 FCADLP C[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000415237023 245364924 /nfs/dbraw/zinc/36/49/24/245364924.db2.gz HKRHTIONBWMAHY-GDBMZVCRSA-N 2 2 350.467 0.806 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)NCC(C)(C)[NH3+])c2)CC1 ZINC000415025959 245343334 /nfs/dbraw/zinc/34/33/34/245343334.db2.gz SELSFCISAACNGL-UHFFFAOYSA-N 2 2 369.491 0.482 20 0 FCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000415226488 245364470 /nfs/dbraw/zinc/36/44/70/245364470.db2.gz IZPWXORNICFIEO-RHSMWYFYSA-N 2 2 360.458 0.666 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000415244605 245368470 /nfs/dbraw/zinc/36/84/70/245368470.db2.gz YBTBVEHIKUPLJB-OAHLLOKOSA-N 2 2 350.467 0.727 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000415299904 245381414 /nfs/dbraw/zinc/38/14/14/245381414.db2.gz ITIZYIKCRNKVTQ-RHSMWYFYSA-N 2 2 360.458 0.887 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000184984602 209170596 /nfs/dbraw/zinc/17/05/96/209170596.db2.gz PBPWZEXAMDIEKA-GJZGRUSLSA-N 2 2 362.478 0.726 20 0 FCADLP Cc1nc(N2CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000184984579 209170428 /nfs/dbraw/zinc/17/04/28/209170428.db2.gz PBPWZEXAMDIEKA-HUUCEWRRSA-N 2 2 362.478 0.726 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000184600872 209165184 /nfs/dbraw/zinc/16/51/84/209165184.db2.gz VPOXFSSHYHBWGJ-UHFFFAOYSA-N 2 2 374.489 0.073 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374293230 217115755 /nfs/dbraw/zinc/11/57/55/217115755.db2.gz BEZFUWGZLGUVBD-HRCADAONSA-N 2 2 353.511 0.567 20 0 FCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374293230 217115758 /nfs/dbraw/zinc/11/57/58/217115758.db2.gz BEZFUWGZLGUVBD-HRCADAONSA-N 2 2 353.511 0.567 20 0 FCADLP COc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]1 ZINC000374376384 217123111 /nfs/dbraw/zinc/12/31/11/217123111.db2.gz DIGLRAAIDYMCBE-WBVHZDCISA-N 2 2 374.485 0.578 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCO1 ZINC000415598616 245444853 /nfs/dbraw/zinc/44/48/53/245444853.db2.gz KXYKYMFUWMOSEI-MRXNPFEDSA-N 2 2 356.382 0.999 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)N3CCOCC3)CC2)CC1 ZINC000374955035 217197222 /nfs/dbraw/zinc/19/72/22/217197222.db2.gz ORJDYMJLUYRPKI-UHFFFAOYSA-N 2 2 352.523 0.772 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000374955035 217197225 /nfs/dbraw/zinc/19/72/25/217197225.db2.gz ORJDYMJLUYRPKI-UHFFFAOYSA-N 3 2 352.523 0.772 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000375004918 217204790 /nfs/dbraw/zinc/20/47/90/217204790.db2.gz OXBZBAAGRXHCBJ-QRVBRYPASA-N 2 2 364.534 0.868 20 0 FCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000375004918 217204793 /nfs/dbraw/zinc/20/47/93/217204793.db2.gz OXBZBAAGRXHCBJ-QRVBRYPASA-N 2 2 364.534 0.868 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000183203921 209143016 /nfs/dbraw/zinc/14/30/16/209143016.db2.gz ZMADJGXZPLBYAW-UHFFFAOYSA-N 2 2 350.463 0.816 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000182298539 209130038 /nfs/dbraw/zinc/13/00/38/209130038.db2.gz UMWZAMIYZODTSO-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000182298539 209130043 /nfs/dbraw/zinc/13/00/43/209130043.db2.gz UMWZAMIYZODTSO-AWEZNQCLSA-N 2 2 357.414 0.977 20 0 FCADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502840 217275475 /nfs/dbraw/zinc/27/54/75/217275475.db2.gz XBZGAEHVVXZCQV-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000375502840 217275478 /nfs/dbraw/zinc/27/54/78/217275478.db2.gz XBZGAEHVVXZCQV-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502840 217275482 /nfs/dbraw/zinc/27/54/82/217275482.db2.gz XBZGAEHVVXZCQV-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000375502840 217275485 /nfs/dbraw/zinc/27/54/85/217275485.db2.gz XBZGAEHVVXZCQV-MJGOQNOKSA-N 2 2 361.486 0.803 20 0 FCADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274164195 211797890 /nfs/dbraw/zinc/79/78/90/211797890.db2.gz AVZZDJHZWPBHMY-FQEVSTJZSA-N 2 2 371.485 0.722 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418748193 245819878 /nfs/dbraw/zinc/81/98/78/245819878.db2.gz KKENCNQTWRELTP-HUUCEWRRSA-N 2 2 351.495 0.513 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000419130161 246005707 /nfs/dbraw/zinc/00/57/07/246005707.db2.gz AWDNLDBRIASHSX-QGZVFWFLSA-N 2 2 369.469 0.939 20 0 FCADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000419127357 246001559 /nfs/dbraw/zinc/00/15/59/246001559.db2.gz PUQHPBYYFJHOOQ-IAGOWNOFSA-N 2 2 369.469 0.834 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419146767 246015250 /nfs/dbraw/zinc/01/52/50/246015250.db2.gz HWEZCRZDUMNOAF-UHFFFAOYSA-N 2 2 365.384 0.452 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000419212174 246057626 /nfs/dbraw/zinc/05/76/26/246057626.db2.gz UIALEHHQZYPOMZ-ZDUSSCGKSA-N 2 2 366.428 0.977 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000419212174 246057629 /nfs/dbraw/zinc/05/76/29/246057629.db2.gz UIALEHHQZYPOMZ-ZDUSSCGKSA-N 2 2 366.428 0.977 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000419210500 246057892 /nfs/dbraw/zinc/05/78/92/246057892.db2.gz VEBABEKKSZLLPR-INIZCTEOSA-N 2 2 359.474 0.899 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000419271574 246082985 /nfs/dbraw/zinc/08/29/85/246082985.db2.gz FVMYSELICCNKIH-WMLDXEAASA-N 2 2 355.442 0.804 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@@H+]1CCc2sccc2C1 ZINC000419228984 246067799 /nfs/dbraw/zinc/06/77/99/246067799.db2.gz HAMLIKYTONOVLI-HZSPNIEDSA-N 2 2 364.515 0.820 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[N@H+]1CCc2sccc2C1 ZINC000419228984 246067805 /nfs/dbraw/zinc/06/78/05/246067805.db2.gz HAMLIKYTONOVLI-HZSPNIEDSA-N 2 2 364.515 0.820 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)[nH+]c1 ZINC000419303000 246091635 /nfs/dbraw/zinc/09/16/35/246091635.db2.gz RBMQZRIPNVTUMQ-HUUCEWRRSA-N 2 2 359.474 0.684 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[C@@H]1[NH3+] ZINC000419305242 246092843 /nfs/dbraw/zinc/09/28/43/246092843.db2.gz KWTUUEIJHOSIDO-ZBFHGGJFSA-N 2 2 359.474 0.884 20 0 FCADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419308052 246093900 /nfs/dbraw/zinc/09/39/00/246093900.db2.gz OLXOVTUIAJASCI-MRXNPFEDSA-N 2 2 359.474 0.946 20 0 FCADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)C(=O)N1CCC[NH2+]CC1 ZINC000419316078 246094783 /nfs/dbraw/zinc/09/47/83/246094783.db2.gz WUDXEQNFAIDNMP-UHFFFAOYSA-N 2 2 359.474 0.900 20 0 FCADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000419316162 246095822 /nfs/dbraw/zinc/09/58/22/246095822.db2.gz WZESQBLHUZCTTL-LJQANCHMSA-N 2 2 359.474 0.885 20 0 FCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419304163 246090339 /nfs/dbraw/zinc/09/03/39/246090339.db2.gz JGLACFFUHRGPLM-IAGOWNOFSA-N 2 2 371.485 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[C@H]1[NH3+] ZINC000419303892 246090570 /nfs/dbraw/zinc/09/05/70/246090570.db2.gz IWDWWDDJAVRPFE-GDBMZVCRSA-N 2 2 359.474 0.884 20 0 FCADLP Cc1ccc(N2CCC(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)[nH+]c1 ZINC000419300616 246091167 /nfs/dbraw/zinc/09/11/67/246091167.db2.gz MHKYSYHDTVNKBS-CABCVRRESA-N 2 2 359.474 0.684 20 0 FCADLP CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCOCC1 ZINC000419411148 246145335 /nfs/dbraw/zinc/14/53/35/246145335.db2.gz POMWGQGSBDOJQV-OKZBNKHCSA-N 2 2 370.538 0.830 20 0 FCADLP [NH3+]C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000419656495 246234152 /nfs/dbraw/zinc/23/41/52/246234152.db2.gz URQKPROYLQXWIQ-MRXNPFEDSA-N 2 2 361.490 0.902 20 0 FCADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000419635289 246223997 /nfs/dbraw/zinc/22/39/97/246223997.db2.gz CVQWCFJCDXUJJC-OCCSQVGLSA-N 2 2 363.462 0.107 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000419691989 246253133 /nfs/dbraw/zinc/25/31/33/246253133.db2.gz XOCFYXGIVCPGTH-LSDHHAIUSA-N 2 2 354.495 0.060 20 0 FCADLP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000419725189 246271798 /nfs/dbraw/zinc/27/17/98/246271798.db2.gz RGWLPISOTHVSFJ-UHFFFAOYSA-N 2 2 366.412 0.477 20 0 FCADLP C[NH2+]CCC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000419738187 246277853 /nfs/dbraw/zinc/27/78/53/246277853.db2.gz YFEUUHITNJXYNT-INIZCTEOSA-N 2 2 359.474 0.625 20 0 FCADLP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000419872548 246339068 /nfs/dbraw/zinc/33/90/68/246339068.db2.gz YKCKGSIIXVRRCY-QGZVFWFLSA-N 2 2 374.485 0.325 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000419846267 246318878 /nfs/dbraw/zinc/31/88/78/246318878.db2.gz GWGURUJKQCASRN-CYBMUJFWSA-N 2 2 350.488 0.822 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419865399 246336450 /nfs/dbraw/zinc/33/64/50/246336450.db2.gz PDFZLSRFECPQQH-MRXNPFEDSA-N 2 2 360.458 0.193 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)[C@@H](C)C1 ZINC000419919661 246369497 /nfs/dbraw/zinc/36/94/97/246369497.db2.gz FKGHHBFWCHWWGL-HNNXBMFYSA-N 2 2 374.485 0.454 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)[C@@H](C)C1 ZINC000419919661 246369502 /nfs/dbraw/zinc/36/95/02/246369502.db2.gz FKGHHBFWCHWWGL-HNNXBMFYSA-N 2 2 374.485 0.454 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419877235 246343427 /nfs/dbraw/zinc/34/34/27/246343427.db2.gz YBPHUZPNTNXUEB-DOMZBBRYSA-N 2 2 350.488 0.807 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419879198 246345515 /nfs/dbraw/zinc/34/55/15/246345515.db2.gz RFCOLOASIDHTRH-DLBZAZTESA-N 2 2 374.485 0.726 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419884688 246350694 /nfs/dbraw/zinc/35/06/94/246350694.db2.gz GMYDXIXGQNFWMI-HIFRSBDPSA-N 2 2 350.488 0.822 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C(=O)NCC[NH2+]C)[C@H](C)C1 ZINC000419888853 246352858 /nfs/dbraw/zinc/35/28/58/246352858.db2.gz GFBNPZDAFISTEK-OAHLLOKOSA-N 2 2 362.474 0.454 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C(=O)NCC[NH2+]C)[C@H](C)C1 ZINC000419888853 246352863 /nfs/dbraw/zinc/35/28/63/246352863.db2.gz GFBNPZDAFISTEK-OAHLLOKOSA-N 2 2 362.474 0.454 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419903672 246360447 /nfs/dbraw/zinc/36/04/47/246360447.db2.gz VHDHAFAWTNKFED-JKSUJKDBSA-N 2 2 354.495 0.060 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419905789 246361491 /nfs/dbraw/zinc/36/14/91/246361491.db2.gz WPEVGRZSIAQFEU-SJLPKXTDSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000419907911 246363625 /nfs/dbraw/zinc/36/36/25/246363625.db2.gz CXZGZXGEALJEQT-IAGOWNOFSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000419907911 246363630 /nfs/dbraw/zinc/36/36/30/246363630.db2.gz CXZGZXGEALJEQT-IAGOWNOFSA-N 2 2 358.486 0.835 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419959171 246388358 /nfs/dbraw/zinc/38/83/58/246388358.db2.gz WWIACSPPFWZRHS-GOSISDBHSA-N 2 2 358.486 0.898 20 0 FCADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000419971814 246397505 /nfs/dbraw/zinc/39/75/05/246397505.db2.gz XKHQTRIHDYJACR-IRXDYDNUSA-N 2 2 366.506 0.333 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420367770 246551438 /nfs/dbraw/zinc/55/14/38/246551438.db2.gz WBZOBHXJSJXRFZ-OAHLLOKOSA-N 2 2 354.476 0.770 20 0 FCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000423361988 247011924 /nfs/dbraw/zinc/01/19/24/247011924.db2.gz HJCFKGMQUOGXRU-HZPDHXFCSA-N 2 2 359.474 0.625 20 0 FCADLP O=C(C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000423370432 247013399 /nfs/dbraw/zinc/01/33/99/247013399.db2.gz DGXUPNMUWATJRQ-MRXNPFEDSA-N 2 2 358.442 0.663 20 0 FCADLP [NH3+][C@@H](C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1)C1CCC1 ZINC000423394289 247020229 /nfs/dbraw/zinc/02/02/29/247020229.db2.gz RYEPPWSZLYYAIV-QGZVFWFLSA-N 2 2 362.449 0.827 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423323576 247004971 /nfs/dbraw/zinc/00/49/71/247004971.db2.gz JTBWBNSQFGOBOJ-XHSDSOJGSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423323576 247004978 /nfs/dbraw/zinc/00/49/78/247004978.db2.gz JTBWBNSQFGOBOJ-XHSDSOJGSA-N 2 2 354.495 0.141 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000423546715 247048524 /nfs/dbraw/zinc/04/85/24/247048524.db2.gz KPOHZUGWJJSVGE-HIFRSBDPSA-N 2 2 353.488 0.750 20 0 FCADLP O=C(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423433687 247025034 /nfs/dbraw/zinc/02/50/34/247025034.db2.gz NJVMYOPGVHZIGA-QZTJIDSGSA-N 2 2 373.501 0.970 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423431276 247026249 /nfs/dbraw/zinc/02/62/49/247026249.db2.gz IQRIPDNQIYEJEO-MRXNPFEDSA-N 2 2 354.401 0.587 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423489851 247034295 /nfs/dbraw/zinc/03/42/95/247034295.db2.gz XRFOPEOOBIDHDL-HIFRSBDPSA-N 2 2 350.488 0.903 20 0 FCADLP O=C(C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000423514567 247039720 /nfs/dbraw/zinc/03/97/20/247039720.db2.gz DGXUPNMUWATJRQ-INIZCTEOSA-N 2 2 358.442 0.663 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000423673262 247105391 /nfs/dbraw/zinc/10/53/91/247105391.db2.gz OXHNTLSAOGWPJP-WMZOPIPTSA-N 2 2 358.486 0.835 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000423678303 247106245 /nfs/dbraw/zinc/10/62/45/247106245.db2.gz QZBSTKXEVYGSMY-OAHLLOKOSA-N 2 2 374.489 0.507 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000423612752 247075386 /nfs/dbraw/zinc/07/53/86/247075386.db2.gz OONAMGZWCJSGKQ-QGZVFWFLSA-N 2 2 374.485 0.420 20 0 FCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000423615057 247077923 /nfs/dbraw/zinc/07/79/23/247077923.db2.gz QXARHMXIHUDCIF-HOTGVXAUSA-N 2 2 359.474 0.767 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423623428 247082294 /nfs/dbraw/zinc/08/22/94/247082294.db2.gz BYBMKALRNHSCRX-DLBZAZTESA-N 2 2 358.486 0.582 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423626117 247082491 /nfs/dbraw/zinc/08/24/91/247082491.db2.gz RYPHPFIHWWDRSD-KRWDZBQOSA-N 2 2 374.485 0.679 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000423658726 247097692 /nfs/dbraw/zinc/09/76/92/247097692.db2.gz DLWHYNVIYFOEJR-QGZVFWFLSA-N 2 2 374.485 0.679 20 0 FCADLP CCCN(C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@@H]1CC[NH2+]C1 ZINC000423663183 247101810 /nfs/dbraw/zinc/10/18/10/247101810.db2.gz OEUYNVWFOWXNFD-HZPDHXFCSA-N 2 2 361.490 0.802 20 0 FCADLP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000423668964 247102647 /nfs/dbraw/zinc/10/26/47/247102647.db2.gz RGJWZYBWSXFWMF-UHFFFAOYSA-N 2 2 370.457 0.041 20 0 FCADLP CC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423828057 247144364 /nfs/dbraw/zinc/14/43/64/247144364.db2.gz NWORAWXMILMIAR-LRDDRELGSA-N 2 2 358.364 0.430 20 0 FCADLP CC[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423828057 247144370 /nfs/dbraw/zinc/14/43/70/247144370.db2.gz NWORAWXMILMIAR-LRDDRELGSA-N 2 2 358.364 0.430 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000423855852 247146645 /nfs/dbraw/zinc/14/66/45/247146645.db2.gz ZFOWGAOTBPBANQ-UHFFFAOYSA-N 2 2 360.458 0.668 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000423709600 247118106 /nfs/dbraw/zinc/11/81/06/247118106.db2.gz WJFDOUMPFRYCNE-SQNIBIBYSA-N 2 2 351.491 0.842 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000423709600 247118112 /nfs/dbraw/zinc/11/81/12/247118112.db2.gz WJFDOUMPFRYCNE-SQNIBIBYSA-N 2 2 351.491 0.842 20 0 FCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423716796 247122780 /nfs/dbraw/zinc/12/27/80/247122780.db2.gz YIHWSTDONCXGSY-SJORKVTESA-N 2 2 367.453 0.710 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423721296 247127194 /nfs/dbraw/zinc/12/71/94/247127194.db2.gz DYXBYQCRHALWAT-JKSUJKDBSA-N 2 2 354.495 0.141 20 0 FCADLP O=C(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423726016 247127879 /nfs/dbraw/zinc/12/78/79/247127879.db2.gz JNBVOJNRQBMXQA-SJORKVTESA-N 2 2 359.474 0.722 20 0 FCADLP O=C(C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423741919 247134646 /nfs/dbraw/zinc/13/46/46/247134646.db2.gz YRCDOCLZOHGEHE-VYDXJSESSA-N 2 2 371.485 0.746 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000423742974 247134875 /nfs/dbraw/zinc/13/48/75/247134875.db2.gz LLMHVCDANNOOGO-WMZOPIPTSA-N 2 2 373.501 0.887 20 0 FCADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC000424193914 247176689 /nfs/dbraw/zinc/17/66/89/247176689.db2.gz VMMFCCVMAHXMBG-UONOGXRCSA-N 2 2 350.488 0.944 20 0 FCADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC000424193914 247176693 /nfs/dbraw/zinc/17/66/93/247176693.db2.gz VMMFCCVMAHXMBG-UONOGXRCSA-N 2 2 350.488 0.944 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424509288 247245259 /nfs/dbraw/zinc/24/52/59/247245259.db2.gz QCNKMRUCZZIBPG-YPMHNXCESA-N 2 2 357.405 0.305 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000424541106 247257257 /nfs/dbraw/zinc/25/72/57/247257257.db2.gz DMGYQFGDWUFGRH-GJZGRUSLSA-N 2 2 372.460 0.728 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424541106 247257261 /nfs/dbraw/zinc/25/72/61/247257261.db2.gz DMGYQFGDWUFGRH-GJZGRUSLSA-N 2 2 372.460 0.728 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(-n3cnnc3)cc2)CC1 ZINC000424704192 247269857 /nfs/dbraw/zinc/26/98/57/247269857.db2.gz LTUOGBHMLKJQOO-UHFFFAOYSA-N 2 2 356.474 0.952 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000425399038 247335723 /nfs/dbraw/zinc/33/57/23/247335723.db2.gz IUKAUZLQGXGYDB-MSOLQXFVSA-N 2 2 356.470 0.493 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000425399038 247335725 /nfs/dbraw/zinc/33/57/25/247335725.db2.gz IUKAUZLQGXGYDB-MSOLQXFVSA-N 2 2 356.470 0.493 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000425480853 247343507 /nfs/dbraw/zinc/34/35/07/247343507.db2.gz RENUCEZXECCRLP-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000436056382 248031542 /nfs/dbraw/zinc/03/15/42/248031542.db2.gz VPTLAWIPJIICHR-CYBMUJFWSA-N 2 2 353.854 0.993 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000436056382 248031545 /nfs/dbraw/zinc/03/15/45/248031545.db2.gz VPTLAWIPJIICHR-CYBMUJFWSA-N 2 2 353.854 0.993 20 0 FCADLP O=C(N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436304090 248036926 /nfs/dbraw/zinc/03/69/26/248036926.db2.gz FOQVVAFCENUYLF-DBXWQHBBSA-N 2 2 373.497 0.960 20 0 FCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000440275496 248167817 /nfs/dbraw/zinc/16/78/17/248167817.db2.gz STGHWHJSPFMLGP-INIZCTEOSA-N 2 2 373.501 0.535 20 0 FCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000440275496 248167823 /nfs/dbraw/zinc/16/78/23/248167823.db2.gz STGHWHJSPFMLGP-INIZCTEOSA-N 2 2 373.501 0.535 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442822917 248298370 /nfs/dbraw/zinc/29/83/70/248298370.db2.gz YFOIZKZVKXZUNP-DNVCBOLYSA-N 2 2 369.506 0.877 20 0 FCADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000444179767 248349847 /nfs/dbraw/zinc/34/98/47/248349847.db2.gz FTZPAPGNQNGMFX-XLIONFOSSA-N 2 2 372.469 0.687 20 0 FCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445783881 248377467 /nfs/dbraw/zinc/37/74/67/248377467.db2.gz QNOYIKSDXFOFOJ-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445783881 248377470 /nfs/dbraw/zinc/37/74/70/248377470.db2.gz QNOYIKSDXFOFOJ-OAHLLOKOSA-N 2 2 362.474 0.566 20 0 FCADLP Cc1cccc(CC[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000449017995 248457855 /nfs/dbraw/zinc/45/78/55/248457855.db2.gz ZWLCRCRPCTVYHX-UHFFFAOYSA-N 2 2 366.531 0.647 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](NC(N)=O)C3)CC2)c1 ZINC000270689829 211248285 /nfs/dbraw/zinc/24/82/85/211248285.db2.gz VZVWSUBYUADXRB-KRWDZBQOSA-N 2 2 359.474 0.382 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](NC(N)=O)C3)CC2)c1 ZINC000270689829 211248290 /nfs/dbraw/zinc/24/82/90/211248290.db2.gz VZVWSUBYUADXRB-KRWDZBQOSA-N 2 2 359.474 0.382 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270555335 211224083 /nfs/dbraw/zinc/22/40/83/211224083.db2.gz HONIDPBYMPHHLQ-OAHLLOKOSA-N 2 2 365.478 0.542 20 0 FCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000468809810 249939453 /nfs/dbraw/zinc/93/94/53/249939453.db2.gz DKGPFZRADCXERB-QGZVFWFLSA-N 2 2 361.490 0.431 20 0 FCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455553 250150253 /nfs/dbraw/zinc/15/02/53/250150253.db2.gz LCANNHRCAFDSSZ-QGZVFWFLSA-N 2 2 350.507 0.779 20 0 FCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455553 250150257 /nfs/dbraw/zinc/15/02/57/250150257.db2.gz LCANNHRCAFDSSZ-QGZVFWFLSA-N 2 2 350.507 0.779 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455553 250150260 /nfs/dbraw/zinc/15/02/60/250150260.db2.gz LCANNHRCAFDSSZ-QGZVFWFLSA-N 2 2 350.507 0.779 20 0 FCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000472455553 250150263 /nfs/dbraw/zinc/15/02/63/250150263.db2.gz LCANNHRCAFDSSZ-QGZVFWFLSA-N 2 2 350.507 0.779 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000472762758 250179313 /nfs/dbraw/zinc/17/93/13/250179313.db2.gz DQGXDOBAZNYVBZ-STQMWFEESA-N 2 2 364.425 0.812 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480965548 250302360 /nfs/dbraw/zinc/30/23/60/250302360.db2.gz BIFYQBARNTUXFR-BBWFWOEESA-N 2 2 368.522 0.260 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480965548 250302363 /nfs/dbraw/zinc/30/23/63/250302363.db2.gz BIFYQBARNTUXFR-BBWFWOEESA-N 2 2 368.522 0.260 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020701 250308478 /nfs/dbraw/zinc/30/84/78/250308478.db2.gz WHVNCOXSWROGGW-LSDHHAIUSA-N 2 2 361.490 0.941 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000481020701 250308480 /nfs/dbraw/zinc/30/84/80/250308480.db2.gz WHVNCOXSWROGGW-LSDHHAIUSA-N 2 2 361.490 0.941 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNc1nc(NC[C@@](C)(O)C[NH+](C)C)c(Cl)c[nH+]1 ZINC000269762365 211070207 /nfs/dbraw/zinc/07/02/07/211070207.db2.gz FHOYVEWDDBWNLY-HZPDHXFCSA-N 3 2 374.917 0.579 20 0 FCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000482624626 250396524 /nfs/dbraw/zinc/39/65/24/250396524.db2.gz AFJQFFJUPMOTTJ-ZBFHGGJFSA-N 2 2 371.503 0.281 20 0 FCADLP NC(=O)C[C@@H]([NH3+])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000269724476 211056405 /nfs/dbraw/zinc/05/64/05/211056405.db2.gz QUXUAXKHPWXKHG-CHWSQXEVSA-N 2 2 356.829 0.935 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](Cc3c(C)noc3C)CC2)CC1 ZINC000067411252 208022426 /nfs/dbraw/zinc/02/24/26/208022426.db2.gz DCTUVKXULIHQJB-MRXNPFEDSA-N 2 2 363.506 0.962 20 0 FCADLP O=C(CN1CC[NH+](CCO)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000071948789 208036602 /nfs/dbraw/zinc/03/66/02/208036602.db2.gz YDTMBFNEVAGBDS-UHFFFAOYSA-N 2 2 352.504 0.002 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719308 208039184 /nfs/dbraw/zinc/03/91/84/208039184.db2.gz BBYUCUANIVMYQP-HZPDHXFCSA-N 2 2 350.507 0.907 20 0 FCADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719308 208039189 /nfs/dbraw/zinc/03/91/89/208039189.db2.gz BBYUCUANIVMYQP-HZPDHXFCSA-N 2 2 350.507 0.907 20 0 FCADLP O=C(C[NH+](CCO)CCO)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000072939779 208040786 /nfs/dbraw/zinc/04/07/86/208040786.db2.gz LCTLMMFZZBMMMX-UHFFFAOYSA-N 2 2 371.481 0.771 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000072801580 208041863 /nfs/dbraw/zinc/04/18/63/208041863.db2.gz LHXVVVNUVIQSIO-QGZVFWFLSA-N 2 2 353.507 0.842 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](CO)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000072801580 208041870 /nfs/dbraw/zinc/04/18/70/208041870.db2.gz LHXVVVNUVIQSIO-QGZVFWFLSA-N 2 2 353.507 0.842 20 0 FCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000081482312 208099735 /nfs/dbraw/zinc/09/97/35/208099735.db2.gz AFNBUEDHEFVIQV-SFHVURJKSA-N 2 2 362.474 0.582 20 0 FCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000081482312 208099740 /nfs/dbraw/zinc/09/97/40/208099740.db2.gz AFNBUEDHEFVIQV-SFHVURJKSA-N 2 2 362.474 0.582 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000081482312 208099746 /nfs/dbraw/zinc/09/97/46/208099746.db2.gz AFNBUEDHEFVIQV-SFHVURJKSA-N 2 2 362.474 0.582 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000081482312 208099751 /nfs/dbraw/zinc/09/97/51/208099751.db2.gz AFNBUEDHEFVIQV-SFHVURJKSA-N 2 2 362.474 0.582 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1=O ZINC000081801098 208101906 /nfs/dbraw/zinc/10/19/06/208101906.db2.gz ARJGCEPKPBPNKE-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1=O ZINC000081801098 208101914 /nfs/dbraw/zinc/10/19/14/208101914.db2.gz ARJGCEPKPBPNKE-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000074655327 208056415 /nfs/dbraw/zinc/05/64/15/208056415.db2.gz CPKPGCYITRSZRX-MSOLQXFVSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C[NH+]1CCN(C)CC1 ZINC000074654446 208058108 /nfs/dbraw/zinc/05/81/08/208058108.db2.gz WTXHOQGAAPJWBZ-GOSISDBHSA-N 2 2 374.533 0.792 20 0 FCADLP C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000077817738 208078707 /nfs/dbraw/zinc/07/87/07/208078707.db2.gz PUMJTBSHVNFIFO-HNNXBMFYSA-N 2 2 360.458 0.525 20 0 FCADLP C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000077817738 208078711 /nfs/dbraw/zinc/07/87/11/208078711.db2.gz PUMJTBSHVNFIFO-HNNXBMFYSA-N 2 2 360.458 0.525 20 0 FCADLP Cn1c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(=O)n(C)c1=O ZINC000081006013 208098045 /nfs/dbraw/zinc/09/80/45/208098045.db2.gz GDHKKTOECWUKAA-UHFFFAOYSA-N 2 2 371.485 0.618 20 0 FCADLP Cn1c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(=O)n(C)c1=O ZINC000081006013 208098049 /nfs/dbraw/zinc/09/80/49/208098049.db2.gz GDHKKTOECWUKAA-UHFFFAOYSA-N 2 2 371.485 0.618 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000090102587 208127400 /nfs/dbraw/zinc/12/74/00/208127400.db2.gz HPAZSJJCGKIXEJ-WBVHZDCISA-N 2 2 355.504 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000090102587 208127403 /nfs/dbraw/zinc/12/74/03/208127403.db2.gz HPAZSJJCGKIXEJ-WBVHZDCISA-N 2 2 355.504 0.943 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003563 208128823 /nfs/dbraw/zinc/12/88/23/208128823.db2.gz ZVLCTFFOFJNSND-KFWWJZLASA-N 2 2 368.503 0.366 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003563 208128830 /nfs/dbraw/zinc/12/88/30/208128830.db2.gz ZVLCTFFOFJNSND-KFWWJZLASA-N 2 2 368.503 0.366 20 0 FCADLP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000101636563 208163905 /nfs/dbraw/zinc/16/39/05/208163905.db2.gz SQACYBBJFNSWIS-MJGOQNOKSA-N 2 2 360.502 0.812 20 0 FCADLP Cc1nc2n(n1)C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000105235029 208191853 /nfs/dbraw/zinc/19/18/53/208191853.db2.gz IKDFMWNUZREIAM-OAHLLOKOSA-N 2 2 363.510 0.569 20 0 FCADLP Cc1nc2n(n1)C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000105235029 208191858 /nfs/dbraw/zinc/19/18/58/208191858.db2.gz IKDFMWNUZREIAM-OAHLLOKOSA-N 2 2 363.510 0.569 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000107368917 208241886 /nfs/dbraw/zinc/24/18/86/208241886.db2.gz GCSWOEKOJYHUBX-JKSUJKDBSA-N 2 2 353.511 0.569 20 0 FCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C2)CC1 ZINC000107368917 208241891 /nfs/dbraw/zinc/24/18/91/208241891.db2.gz GCSWOEKOJYHUBX-JKSUJKDBSA-N 2 2 353.511 0.569 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000106403253 208223399 /nfs/dbraw/zinc/22/33/99/208223399.db2.gz RHQACUGFDOMQGO-VQTJNVASSA-N 2 2 374.529 0.890 20 0 FCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220239 208275287 /nfs/dbraw/zinc/27/52/87/208275287.db2.gz IIIRTVJZKBQQBM-HOCLYGCPSA-N 2 2 364.515 0.978 20 0 FCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000111220239 208275294 /nfs/dbraw/zinc/27/52/94/208275294.db2.gz IIIRTVJZKBQQBM-HOCLYGCPSA-N 2 2 364.515 0.978 20 0 FCADLP CC(C)[NH2+]C1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000108368345 208246479 /nfs/dbraw/zinc/24/64/79/208246479.db2.gz LXZWUDJYUNJVDD-UHFFFAOYSA-N 2 2 362.478 0.286 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000118835164 208351922 /nfs/dbraw/zinc/35/19/22/208351922.db2.gz VFYBFHFNAPFKON-GJZGRUSLSA-N 2 2 353.511 0.711 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2)CC1 ZINC000118835164 208351926 /nfs/dbraw/zinc/35/19/26/208351926.db2.gz VFYBFHFNAPFKON-GJZGRUSLSA-N 2 2 353.511 0.711 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843492 208352445 /nfs/dbraw/zinc/35/24/45/208352445.db2.gz CLEDUTYSPVCYRY-ZDUSSCGKSA-N 2 2 351.451 0.809 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843492 208352447 /nfs/dbraw/zinc/35/24/47/208352447.db2.gz CLEDUTYSPVCYRY-ZDUSSCGKSA-N 2 2 351.451 0.809 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843492 208352450 /nfs/dbraw/zinc/35/24/50/208352450.db2.gz CLEDUTYSPVCYRY-ZDUSSCGKSA-N 2 2 351.451 0.809 20 0 FCADLP CCOC(=O)c1cnn(C)c1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843492 208352453 /nfs/dbraw/zinc/35/24/53/208352453.db2.gz CLEDUTYSPVCYRY-ZDUSSCGKSA-N 2 2 351.451 0.809 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000120048288 208373642 /nfs/dbraw/zinc/37/36/42/208373642.db2.gz NUCDKPAIFOYFGC-OWCLPIDISA-N 2 2 353.511 0.711 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000120048288 208373650 /nfs/dbraw/zinc/37/36/50/208373650.db2.gz NUCDKPAIFOYFGC-OWCLPIDISA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000176635920 209008998 /nfs/dbraw/zinc/00/89/98/209008998.db2.gz ATDBWYNWZUHBPA-CVEARBPZSA-N 2 2 359.536 0.843 20 0 FCADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)CCO1 ZINC000176635920 209009004 /nfs/dbraw/zinc/00/90/04/209009004.db2.gz ATDBWYNWZUHBPA-CVEARBPZSA-N 2 2 359.536 0.843 20 0 FCADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)CC1 ZINC000178046976 209041891 /nfs/dbraw/zinc/04/18/91/209041891.db2.gz TWOZZQJERZOZRA-UHFFFAOYSA-N 2 2 360.502 0.967 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178848421 209062822 /nfs/dbraw/zinc/06/28/22/209062822.db2.gz WVZLCDJJGLQYBF-UHFFFAOYSA-N 2 2 350.467 0.387 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000178855373 209063522 /nfs/dbraw/zinc/06/35/22/209063522.db2.gz TUFYJMFFNSENAX-WMZOPIPTSA-N 2 2 358.486 0.712 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CN1CC[NH+]1CCOCC1 ZINC000178904564 209066426 /nfs/dbraw/zinc/06/64/26/209066426.db2.gz RXEXUHSYJSFSAE-GOSISDBHSA-N 2 2 373.501 0.705 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000179290079 209075460 /nfs/dbraw/zinc/07/54/60/209075460.db2.gz OJFZAEALMGMBGP-UHFFFAOYSA-N 2 2 367.538 0.912 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000179301122 209076204 /nfs/dbraw/zinc/07/62/04/209076204.db2.gz QXJNSZWOULFCCQ-UHFFFAOYSA-N 2 2 361.494 0.334 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCCN1CCCC1=O ZINC000163421006 229201819 /nfs/dbraw/zinc/20/18/19/229201819.db2.gz HMBCNQVKAXZNBI-SFHVURJKSA-N 2 2 369.469 0.930 20 0 FCADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000163382075 229202230 /nfs/dbraw/zinc/20/22/30/229202230.db2.gz TWIMICNEQZGASL-CYBMUJFWSA-N 2 2 354.476 0.101 20 0 FCADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000163382075 229202231 /nfs/dbraw/zinc/20/22/31/229202231.db2.gz TWIMICNEQZGASL-CYBMUJFWSA-N 2 2 354.476 0.101 20 0 FCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175711364 229215730 /nfs/dbraw/zinc/21/57/30/229215730.db2.gz PJIZVMMQJJPZIL-IRXDYDNUSA-N 2 2 370.538 0.831 20 0 FCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000175711364 229215733 /nfs/dbraw/zinc/21/57/33/229215733.db2.gz PJIZVMMQJJPZIL-IRXDYDNUSA-N 2 2 370.538 0.831 20 0 FCADLP C[C@H]1COCCN1CC[N@@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000192693094 229267473 /nfs/dbraw/zinc/26/74/73/229267473.db2.gz RURRGYXNHAOWFV-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP C[C@H]1COCCN1CC[N@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000192693094 229267478 /nfs/dbraw/zinc/26/74/78/229267478.db2.gz RURRGYXNHAOWFV-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP C[C@H]1COCCN1CC[NH+]1CCCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000192693094 229267483 /nfs/dbraw/zinc/26/74/83/229267483.db2.gz RURRGYXNHAOWFV-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP C[C@H]1COCCN1CC[NH+]1CCCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000192693094 229267486 /nfs/dbraw/zinc/26/74/86/229267486.db2.gz RURRGYXNHAOWFV-OALUTQOASA-N 2 2 354.539 0.436 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000332562072 229892343 /nfs/dbraw/zinc/89/23/43/229892343.db2.gz XCARNLLXHKTUSR-FUHWJXTLSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592835 230147332 /nfs/dbraw/zinc/14/73/32/230147332.db2.gz ZYWBPHJJBCPIEL-ZBFHGGJFSA-N 2 2 359.474 0.873 20 0 FCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410592835 230147335 /nfs/dbraw/zinc/14/73/35/230147335.db2.gz ZYWBPHJJBCPIEL-ZBFHGGJFSA-N 2 2 359.474 0.873 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410925531 230307420 /nfs/dbraw/zinc/30/74/20/230307420.db2.gz ZZEPFFBAPUXRNK-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410925531 230307425 /nfs/dbraw/zinc/30/74/25/230307425.db2.gz ZZEPFFBAPUXRNK-UHFFFAOYSA-N 2 2 368.522 0.356 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000410972635 230332172 /nfs/dbraw/zinc/33/21/72/230332172.db2.gz HQGUDAALHVVHIN-GVDBMIGSSA-N 2 2 373.501 0.754 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000410972635 230332176 /nfs/dbraw/zinc/33/21/76/230332176.db2.gz HQGUDAALHVVHIN-GVDBMIGSSA-N 2 2 373.501 0.754 20 0 FCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363661126 488870616 /nfs/dbraw/zinc/87/06/16/488870616.db2.gz IOCHDWQREUPVRN-CQSZACIVSA-N 2 2 363.510 1.015 20 0 FCADLP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C(=O)N(C)C ZINC000363667766 488870947 /nfs/dbraw/zinc/87/09/47/488870947.db2.gz YBMMHGHURDKFSF-HNNXBMFYSA-N 2 2 354.495 0.014 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000511904783 484103914 /nfs/dbraw/zinc/10/39/14/484103914.db2.gz OBUYZECYNYQTBL-AWEZNQCLSA-N 2 2 371.445 0.173 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000605429730 484250826 /nfs/dbraw/zinc/25/08/26/484250826.db2.gz QVCRCETYCOYECZ-UHFFFAOYSA-N 2 2 366.466 0.059 20 0 FCADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c[nH+]1 ZINC000562789988 491189339 /nfs/dbraw/zinc/18/93/39/491189339.db2.gz RWVYHLZAUMLJSR-OAHLLOKOSA-N 2 2 360.462 0.253 20 0 FCADLP C[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000302469490 488889790 /nfs/dbraw/zinc/88/97/90/488889790.db2.gz CIYFSAKFGUZZPP-JKSUJKDBSA-N 2 2 363.506 0.967 20 0 FCADLP C[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000302469490 488889791 /nfs/dbraw/zinc/88/97/91/488889791.db2.gz CIYFSAKFGUZZPP-JKSUJKDBSA-N 2 2 363.506 0.967 20 0 FCADLP CC(=O)N1CCN(C(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000278709315 488891217 /nfs/dbraw/zinc/89/12/17/488891217.db2.gz UGOGAOLCOWTFSI-UHFFFAOYSA-N 2 2 360.458 0.924 20 0 FCADLP O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000278717506 488891590 /nfs/dbraw/zinc/89/15/90/488891590.db2.gz KMOYTTFUVWRPJL-HOTGVXAUSA-N 2 2 351.472 0.211 20 0 FCADLP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000287794573 488906869 /nfs/dbraw/zinc/90/68/69/488906869.db2.gz LTXMMKZHAMRQPA-OAHLLOKOSA-N 2 2 365.478 0.267 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364139097 488927112 /nfs/dbraw/zinc/92/71/12/488927112.db2.gz APQGHILCVXAGEK-OAHLLOKOSA-N 2 2 363.437 0.786 20 0 FCADLP CN(C(=O)C(=O)Nc1ccc(F)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364139097 488927115 /nfs/dbraw/zinc/92/71/15/488927115.db2.gz APQGHILCVXAGEK-OAHLLOKOSA-N 2 2 363.437 0.786 20 0 FCADLP O=C(CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328663410 488928433 /nfs/dbraw/zinc/92/84/33/488928433.db2.gz BGXNZNACXUIADV-KRWDZBQOSA-N 2 2 372.469 0.800 20 0 FCADLP O=C(CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328663410 488928436 /nfs/dbraw/zinc/92/84/36/488928436.db2.gz BGXNZNACXUIADV-KRWDZBQOSA-N 2 2 372.469 0.800 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3-n3cnnn3)C2)CC1 ZINC000364206977 488935424 /nfs/dbraw/zinc/93/54/24/488935424.db2.gz MNXCGASTWJEMKH-AWEZNQCLSA-N 2 2 355.446 0.561 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3-n3cnnn3)C2)CC1 ZINC000364206977 488935425 /nfs/dbraw/zinc/93/54/25/488935425.db2.gz MNXCGASTWJEMKH-AWEZNQCLSA-N 2 2 355.446 0.561 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000279377799 488937210 /nfs/dbraw/zinc/93/72/10/488937210.db2.gz XQXGOHDLOCLJDT-GASCZTMLSA-N 2 2 373.457 0.185 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000279377799 488937213 /nfs/dbraw/zinc/93/72/13/488937213.db2.gz XQXGOHDLOCLJDT-GASCZTMLSA-N 2 2 373.457 0.185 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364280531 488943426 /nfs/dbraw/zinc/94/34/26/488943426.db2.gz IQRBBRWKMVHYJP-INIZCTEOSA-N 2 2 367.538 0.959 20 0 FCADLP CCNC(=O)C(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364280531 488943430 /nfs/dbraw/zinc/94/34/30/488943430.db2.gz IQRBBRWKMVHYJP-INIZCTEOSA-N 2 2 367.538 0.959 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283029 488943609 /nfs/dbraw/zinc/94/36/09/488943609.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364283029 488943611 /nfs/dbraw/zinc/94/36/11/488943611.db2.gz YPADBAKFAOTBTI-SJLPKXTDSA-N 3 2 367.538 0.517 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288148872 488950210 /nfs/dbraw/zinc/95/02/10/488950210.db2.gz LZOWCOAATMATME-AWEZNQCLSA-N 2 2 351.451 0.548 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288148872 488950213 /nfs/dbraw/zinc/95/02/13/488950213.db2.gz LZOWCOAATMATME-AWEZNQCLSA-N 2 2 351.451 0.548 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364374318 488952582 /nfs/dbraw/zinc/95/25/82/488952582.db2.gz JLKOAOFZRDQMIV-QZTJIDSGSA-N 2 2 362.474 0.198 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364374318 488952584 /nfs/dbraw/zinc/95/25/84/488952584.db2.gz JLKOAOFZRDQMIV-QZTJIDSGSA-N 2 2 362.474 0.198 20 0 FCADLP C[NH+](C)CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000364408449 488956698 /nfs/dbraw/zinc/95/66/98/488956698.db2.gz DVVHZVNTRNPRIM-HUUCEWRRSA-N 2 2 368.503 0.413 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000328990529 488958761 /nfs/dbraw/zinc/95/87/61/488958761.db2.gz CYZAICMEZIMDAM-XHSDSOJGSA-N 2 2 351.495 0.620 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000328990529 488958764 /nfs/dbraw/zinc/95/87/64/488958764.db2.gz CYZAICMEZIMDAM-XHSDSOJGSA-N 2 2 351.495 0.620 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)c1 ZINC000024951901 487655251 /nfs/dbraw/zinc/65/52/51/487655251.db2.gz UASGEMWLPZBHPR-UHFFFAOYSA-N 2 2 358.486 0.837 20 0 FCADLP CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000025755122 487670795 /nfs/dbraw/zinc/67/07/95/487670795.db2.gz BHKALFZELSYJOU-UHFFFAOYSA-N 2 2 374.485 0.915 20 0 FCADLP CC(C)C[N@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000044898782 487925623 /nfs/dbraw/zinc/92/56/23/487925623.db2.gz QNXSZBQGKZFUMQ-UHFFFAOYSA-N 2 2 368.522 0.581 20 0 FCADLP CC(C)C[N@@H+](CC(N)=O)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000044898782 487925627 /nfs/dbraw/zinc/92/56/27/487925627.db2.gz QNXSZBQGKZFUMQ-UHFFFAOYSA-N 2 2 368.522 0.581 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-n4cnnn4)cc3)CC2)CC1 ZINC000050801513 488115710 /nfs/dbraw/zinc/11/57/10/488115710.db2.gz WNDXPQLYQAFESK-UHFFFAOYSA-N 2 2 369.473 0.951 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000051762682 488144787 /nfs/dbraw/zinc/14/47/87/488144787.db2.gz DQJUVGWIZAZIGD-UHFFFAOYSA-N 2 2 358.442 0.379 20 0 FCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000329133754 488972491 /nfs/dbraw/zinc/97/24/91/488972491.db2.gz ZDOYAZNTMZQRHW-FPCVCCKLSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000329133754 488972496 /nfs/dbraw/zinc/97/24/96/488972496.db2.gz ZDOYAZNTMZQRHW-FPCVCCKLSA-N 2 2 354.495 0.105 20 0 FCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000329133754 488972501 /nfs/dbraw/zinc/97/25/01/488972501.db2.gz ZDOYAZNTMZQRHW-FPCVCCKLSA-N 2 2 354.495 0.105 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)CC1 ZINC000329116428 488970525 /nfs/dbraw/zinc/97/05/25/488970525.db2.gz IPJLBHYTSUKTKH-IMJJTQAJSA-N 2 2 362.478 0.523 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)CC1 ZINC000329116428 488970527 /nfs/dbraw/zinc/97/05/27/488970527.db2.gz IPJLBHYTSUKTKH-IMJJTQAJSA-N 2 2 362.478 0.523 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000057375565 488270466 /nfs/dbraw/zinc/27/04/66/488270466.db2.gz CUQLSOCYILBSFM-UHFFFAOYSA-N 2 2 364.494 0.953 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000057725962 488274279 /nfs/dbraw/zinc/27/42/79/488274279.db2.gz BGTXETGLADNVDR-OAHLLOKOSA-N 2 2 357.462 0.918 20 0 FCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000562817872 491191684 /nfs/dbraw/zinc/19/16/84/491191684.db2.gz NLVGWPCDKKVNEM-TUUVXOQKSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000562817872 491191685 /nfs/dbraw/zinc/19/16/85/491191685.db2.gz NLVGWPCDKKVNEM-TUUVXOQKSA-N 2 2 352.458 0.630 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069864672 488374138 /nfs/dbraw/zinc/37/41/38/488374138.db2.gz ODLHCWMNBULSSB-HNNXBMFYSA-N 2 2 368.503 0.485 20 0 FCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000069864672 488374139 /nfs/dbraw/zinc/37/41/39/488374139.db2.gz ODLHCWMNBULSSB-HNNXBMFYSA-N 2 2 368.503 0.485 20 0 FCADLP CC[NH+](CC)CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073437332 488384656 /nfs/dbraw/zinc/38/46/56/488384656.db2.gz KHSAABMQQNJPST-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1=O ZINC000074170089 488388641 /nfs/dbraw/zinc/38/86/41/488388641.db2.gz PQGJJRMPKVMGBP-OAHLLOKOSA-N 2 2 364.515 0.802 20 0 FCADLP C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146295 488391693 /nfs/dbraw/zinc/39/16/93/488391693.db2.gz OEPXQFORGDWRBE-LPHOPBHVSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000183146295 488391695 /nfs/dbraw/zinc/39/16/95/488391695.db2.gz OEPXQFORGDWRBE-LPHOPBHVSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCN(C)CC1 ZINC000074657195 488393342 /nfs/dbraw/zinc/39/33/42/488393342.db2.gz KZVCWCDYXFINLZ-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000074657195 488393344 /nfs/dbraw/zinc/39/33/44/488393344.db2.gz KZVCWCDYXFINLZ-ROUUACIJSA-N 2 2 367.538 0.376 20 0 FCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000184788484 488397431 /nfs/dbraw/zinc/39/74/31/488397431.db2.gz UVKOCCUVWLAOFE-ZWKOTPCHSA-N 2 2 370.538 0.831 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000185124441 488399262 /nfs/dbraw/zinc/39/92/62/488399262.db2.gz YTOZZPUCPIATBN-KRWDZBQOSA-N 2 2 368.570 0.338 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000185195308 488399996 /nfs/dbraw/zinc/39/99/96/488399996.db2.gz QXSFJVHVSGOOCP-UHFFFAOYSA-N 2 2 361.494 0.334 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000185195308 488399999 /nfs/dbraw/zinc/39/99/99/488399999.db2.gz QXSFJVHVSGOOCP-UHFFFAOYSA-N 2 2 361.494 0.334 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000185338467 488400621 /nfs/dbraw/zinc/40/06/21/488400621.db2.gz AHRGIHZPGSBJGP-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP CN1CC[NH+](CCC(C)(C)NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000185338467 488400622 /nfs/dbraw/zinc/40/06/22/488400622.db2.gz AHRGIHZPGSBJGP-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000185338467 488400624 /nfs/dbraw/zinc/40/06/24/488400624.db2.gz AHRGIHZPGSBJGP-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000185338467 488400626 /nfs/dbraw/zinc/40/06/26/488400626.db2.gz AHRGIHZPGSBJGP-UHFFFAOYSA-N 2 2 369.554 0.813 20 0 FCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185451228 488401182 /nfs/dbraw/zinc/40/11/82/488401182.db2.gz XCWSFQNRAVJHTM-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185451228 488401183 /nfs/dbraw/zinc/40/11/83/488401183.db2.gz XCWSFQNRAVJHTM-MRXNPFEDSA-N 2 2 355.527 0.422 20 0 FCADLP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000076239471 488402418 /nfs/dbraw/zinc/40/24/18/488402418.db2.gz FMOITPZHKRNHDU-UHFFFAOYSA-N 2 2 372.473 0.574 20 0 FCADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000076425258 488404602 /nfs/dbraw/zinc/40/46/02/488404602.db2.gz HHTIDYVPLDQJNT-UHFFFAOYSA-N 2 2 360.502 0.977 20 0 FCADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)[nH+]1 ZINC000268371651 488412186 /nfs/dbraw/zinc/41/21/86/488412186.db2.gz HTIZWPZZUSTUNL-UHFFFAOYSA-N 2 2 370.461 0.379 20 0 FCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000188766040 488413744 /nfs/dbraw/zinc/41/37/44/488413744.db2.gz YGHJQGRGOLCIRT-CQSZACIVSA-N 2 2 351.499 0.831 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@@H](C)C2)CCO1 ZINC000191563498 488420229 /nfs/dbraw/zinc/42/02/29/488420229.db2.gz XPQWOABVSZADLR-IPMKNSEASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@@H](C)C2)CCO1 ZINC000191563498 488420233 /nfs/dbraw/zinc/42/02/33/488420233.db2.gz XPQWOABVSZADLR-IPMKNSEASA-N 2 2 354.539 0.434 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@H](C)C3)[C@@H](C)C2)CCO1 ZINC000191563498 488420235 /nfs/dbraw/zinc/42/02/35/488420235.db2.gz XPQWOABVSZADLR-IPMKNSEASA-N 2 2 354.539 0.434 20 0 FCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268475328 488422140 /nfs/dbraw/zinc/42/21/40/488422140.db2.gz ZFZQSGWZBBQVEL-CYBMUJFWSA-N 2 2 358.450 0.281 20 0 FCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC1 ZINC000268515807 488426749 /nfs/dbraw/zinc/42/67/49/488426749.db2.gz DPYGNRCDOQCLRB-GASCZTMLSA-N 2 2 358.446 0.960 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000079100231 488427151 /nfs/dbraw/zinc/42/71/51/488427151.db2.gz ZWLGMRWSYRPJEC-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000079100231 488427153 /nfs/dbraw/zinc/42/71/53/488427153.db2.gz ZWLGMRWSYRPJEC-KRWDZBQOSA-N 2 2 369.554 0.668 20 0 FCADLP CC(C)[C@H](CNC(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000079136286 488427747 /nfs/dbraw/zinc/42/77/47/488427747.db2.gz UHZFDNFTHDZCGA-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000668333199 493332400 /nfs/dbraw/zinc/33/24/00/493332400.db2.gz HMZOXOHTKBCMQD-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000668333199 493332404 /nfs/dbraw/zinc/33/24/04/493332404.db2.gz HMZOXOHTKBCMQD-GOSISDBHSA-N 2 2 374.485 0.216 20 0 FCADLP COCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000194019411 488430909 /nfs/dbraw/zinc/43/09/09/488430909.db2.gz BMNYCHNEWNEHDN-UHFFFAOYSA-N 2 2 350.463 0.188 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000080036594 488433364 /nfs/dbraw/zinc/43/33/64/488433364.db2.gz MCPNEYASINGYIW-IAGOWNOFSA-N 2 2 373.505 0.525 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000080036594 488433366 /nfs/dbraw/zinc/43/33/66/488433366.db2.gz MCPNEYASINGYIW-IAGOWNOFSA-N 2 2 373.505 0.525 20 0 FCADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000080111297 488433979 /nfs/dbraw/zinc/43/39/79/488433979.db2.gz IFVAQQJGBXTWGX-UHFFFAOYSA-N 2 2 359.430 0.969 20 0 FCADLP CC1CC[NH+](CCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000083696113 488447905 /nfs/dbraw/zinc/44/79/05/488447905.db2.gz RZELICINNBTOCZ-KRWDZBQOSA-N 2 2 356.511 0.443 20 0 FCADLP O=C(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)NC1CC[NH+](C2CC2)CC1 ZINC000084867923 488450838 /nfs/dbraw/zinc/45/08/38/488450838.db2.gz OUZVSSASQMSVGW-AWEZNQCLSA-N 2 2 367.412 0.337 20 0 FCADLP O=C(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)NC1CC[NH+](C2CC2)CC1 ZINC000084867923 488450840 /nfs/dbraw/zinc/45/08/40/488450840.db2.gz OUZVSSASQMSVGW-AWEZNQCLSA-N 2 2 367.412 0.337 20 0 FCADLP CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000236727964 488453112 /nfs/dbraw/zinc/45/31/12/488453112.db2.gz UPUIABXIDHWFOQ-OAHLLOKOSA-N 2 2 362.478 0.479 20 0 FCADLP CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000236727964 488453114 /nfs/dbraw/zinc/45/31/14/488453114.db2.gz UPUIABXIDHWFOQ-OAHLLOKOSA-N 2 2 362.478 0.479 20 0 FCADLP CC[NH+]1CCN(Cc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000236963777 488453695 /nfs/dbraw/zinc/45/36/95/488453695.db2.gz HDVMWCHYLNKZOQ-UHFFFAOYSA-N 2 2 359.474 0.194 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000237026565 488454286 /nfs/dbraw/zinc/45/42/86/488454286.db2.gz OMIRRIOFVDRMPC-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000237026565 488454287 /nfs/dbraw/zinc/45/42/87/488454287.db2.gz OMIRRIOFVDRMPC-INIZCTEOSA-N 2 2 354.495 0.158 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268944143 488458218 /nfs/dbraw/zinc/45/82/18/488458218.db2.gz UALFXYAHQGKJLE-CJNGLKHVSA-N 2 2 368.503 0.585 20 0 FCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268944143 488458221 /nfs/dbraw/zinc/45/82/21/488458221.db2.gz UALFXYAHQGKJLE-CJNGLKHVSA-N 2 2 368.503 0.585 20 0 FCADLP C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C1CC1 ZINC000091481572 488464389 /nfs/dbraw/zinc/46/43/89/488464389.db2.gz QAVSFNKWKQWCKJ-MRXNPFEDSA-N 2 2 367.519 0.770 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2nc(=O)[nH][nH]2)CC1 ZINC000091633503 488467252 /nfs/dbraw/zinc/46/72/52/488467252.db2.gz UTGYZMQROBMTCF-UHFFFAOYSA-N 2 2 350.467 0.302 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246126424 488469896 /nfs/dbraw/zinc/46/98/96/488469896.db2.gz LXYWBNLZOYGEPJ-FGTMMUONSA-N 2 2 370.538 0.689 20 0 FCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000246126424 488469897 /nfs/dbraw/zinc/46/98/97/488469897.db2.gz LXYWBNLZOYGEPJ-FGTMMUONSA-N 2 2 370.538 0.689 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246543718 488473604 /nfs/dbraw/zinc/47/36/04/488473604.db2.gz YGVVVISJOPQZNT-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000246543718 488473606 /nfs/dbraw/zinc/47/36/06/488473606.db2.gz YGVVVISJOPQZNT-ZBFHGGJFSA-N 2 2 351.495 0.465 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246932207 488478030 /nfs/dbraw/zinc/47/80/30/488478030.db2.gz XBJUHCSBMREFTE-DLBZAZTESA-N 2 2 362.474 0.592 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246932207 488478031 /nfs/dbraw/zinc/47/80/31/488478031.db2.gz XBJUHCSBMREFTE-DLBZAZTESA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000246979541 488479783 /nfs/dbraw/zinc/47/97/83/488479783.db2.gz PSIRWUIVNMQASO-LZWOXQAQSA-N 2 2 363.506 0.606 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000246979541 488479786 /nfs/dbraw/zinc/47/97/86/488479786.db2.gz PSIRWUIVNMQASO-LZWOXQAQSA-N 2 2 363.506 0.606 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247076607 488481254 /nfs/dbraw/zinc/48/12/54/488481254.db2.gz HYIRRZUFVUURGF-WBVHZDCISA-N 2 2 356.536 0.835 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000247076607 488481257 /nfs/dbraw/zinc/48/12/57/488481257.db2.gz HYIRRZUFVUURGF-WBVHZDCISA-N 2 2 356.536 0.835 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286783 488484174 /nfs/dbraw/zinc/48/41/74/488484174.db2.gz TXUOWMSCFJLEDP-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286783 488484177 /nfs/dbraw/zinc/48/41/77/488484177.db2.gz TXUOWMSCFJLEDP-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286783 488484180 /nfs/dbraw/zinc/48/41/80/488484180.db2.gz TXUOWMSCFJLEDP-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)CC[C@H]21 ZINC000247286783 488484183 /nfs/dbraw/zinc/48/41/83/488484183.db2.gz TXUOWMSCFJLEDP-IAGOWNOFSA-N 2 2 358.490 0.541 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000569902360 491202129 /nfs/dbraw/zinc/20/21/29/491202129.db2.gz GWHTZVICWOUVFD-INIZCTEOSA-N 2 2 350.467 0.773 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000569902360 491202132 /nfs/dbraw/zinc/20/21/32/491202132.db2.gz GWHTZVICWOUVFD-INIZCTEOSA-N 2 2 350.467 0.773 20 0 FCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000101984574 488496740 /nfs/dbraw/zinc/49/67/40/488496740.db2.gz JPTJWSISUWDHMG-UHFFFAOYSA-N 2 2 361.494 0.382 20 0 FCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000101984574 488496742 /nfs/dbraw/zinc/49/67/42/488496742.db2.gz JPTJWSISUWDHMG-UHFFFAOYSA-N 2 2 361.494 0.382 20 0 FCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2c1 ZINC000269383019 488497786 /nfs/dbraw/zinc/49/77/86/488497786.db2.gz YNOAYEMFCJGGIA-HOTGVXAUSA-N 2 2 364.471 0.230 20 0 FCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000104801322 488505588 /nfs/dbraw/zinc/50/55/88/488505588.db2.gz DSNJEMCQNRVFER-GJZGRUSLSA-N 2 2 353.511 0.711 20 0 FCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000104801322 488505589 /nfs/dbraw/zinc/50/55/89/488505589.db2.gz DSNJEMCQNRVFER-GJZGRUSLSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249091511 488506243 /nfs/dbraw/zinc/50/62/43/488506243.db2.gz HCXZXKNZVYUBAM-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000249091511 488506245 /nfs/dbraw/zinc/50/62/45/488506245.db2.gz HCXZXKNZVYUBAM-CVEARBPZSA-N 2 2 355.527 0.109 20 0 FCADLP C[C@@H](CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@H+](C)C1CC1 ZINC000105162868 488508153 /nfs/dbraw/zinc/50/81/53/488508153.db2.gz HZXVQUXJFIISAA-HNNXBMFYSA-N 2 2 361.494 0.381 20 0 FCADLP C[C@@H](CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N@@H+](C)C1CC1 ZINC000105162868 488508156 /nfs/dbraw/zinc/50/81/56/488508156.db2.gz HZXVQUXJFIISAA-HNNXBMFYSA-N 2 2 361.494 0.381 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105134958 488508190 /nfs/dbraw/zinc/50/81/90/488508190.db2.gz NOCKWYGXUKUSJA-MSOLQXFVSA-N 2 2 369.554 0.813 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105134958 488508193 /nfs/dbraw/zinc/50/81/93/488508193.db2.gz NOCKWYGXUKUSJA-MSOLQXFVSA-N 2 2 369.554 0.813 20 0 FCADLP CCOCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000106105254 488510996 /nfs/dbraw/zinc/51/09/96/488510996.db2.gz RFTDBVVUWNDUNI-UHFFFAOYSA-N 2 2 364.490 0.578 20 0 FCADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000269916704 488514420 /nfs/dbraw/zinc/51/44/20/488514420.db2.gz LKCQNRLCGFXVJP-SFHVURJKSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000269916704 488514422 /nfs/dbraw/zinc/51/44/22/488514422.db2.gz LKCQNRLCGFXVJP-SFHVURJKSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000269916704 488514424 /nfs/dbraw/zinc/51/44/24/488514424.db2.gz LKCQNRLCGFXVJP-SFHVURJKSA-N 2 2 358.486 0.837 20 0 FCADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000269916704 488514426 /nfs/dbraw/zinc/51/44/26/488514426.db2.gz LKCQNRLCGFXVJP-SFHVURJKSA-N 2 2 358.486 0.837 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000251555093 488516830 /nfs/dbraw/zinc/51/68/30/488516830.db2.gz GACVNJDSNCMNHQ-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000251555093 488516833 /nfs/dbraw/zinc/51/68/33/488516833.db2.gz GACVNJDSNCMNHQ-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000251555093 488516835 /nfs/dbraw/zinc/51/68/35/488516835.db2.gz GACVNJDSNCMNHQ-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000251555093 488516836 /nfs/dbraw/zinc/51/68/36/488516836.db2.gz GACVNJDSNCMNHQ-ROUUACIJSA-N 2 2 374.529 0.961 20 0 FCADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369627 488517642 /nfs/dbraw/zinc/51/76/42/488517642.db2.gz NZSSSVIETZWVBP-QGZVFWFLSA-N 2 2 367.538 0.071 20 0 FCADLP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000109174431 488522267 /nfs/dbraw/zinc/52/22/67/488522267.db2.gz BTVYQKRTPRPKFF-BRWVUGGUSA-N 2 2 356.511 0.488 20 0 FCADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC000255198961 488522497 /nfs/dbraw/zinc/52/24/97/488522497.db2.gz NRGZFXGAWOZJQO-ARFHVFGLSA-N 2 2 356.511 0.894 20 0 FCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110743802 488526923 /nfs/dbraw/zinc/52/69/23/488526923.db2.gz HETRFKMQJNRZII-KRWDZBQOSA-N 2 2 360.502 0.885 20 0 FCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261625151 488527997 /nfs/dbraw/zinc/52/79/97/488527997.db2.gz AGYLKGNUUOAYGZ-ROUUACIJSA-N 2 2 369.469 0.794 20 0 FCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261625151 488527998 /nfs/dbraw/zinc/52/79/98/488527998.db2.gz AGYLKGNUUOAYGZ-ROUUACIJSA-N 2 2 369.469 0.794 20 0 FCADLP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccnc(-n2cc[nH+]c2)c1 ZINC000261683462 488530550 /nfs/dbraw/zinc/53/05/50/488530550.db2.gz CQSFJXOWGYZHRG-ZDUSSCGKSA-N 2 2 368.363 0.833 20 0 FCADLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261720798 488532887 /nfs/dbraw/zinc/53/28/87/488532887.db2.gz JZIXDPGJVHQJIW-GOEBONIOSA-N 2 2 359.474 0.917 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726682 488533112 /nfs/dbraw/zinc/53/31/12/488533112.db2.gz NYNVODQJUKNCCQ-ACJLOTCBSA-N 2 2 350.438 0.790 20 0 FCADLP C[C@@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261726682 488533113 /nfs/dbraw/zinc/53/31/13/488533113.db2.gz NYNVODQJUKNCCQ-ACJLOTCBSA-N 2 2 350.438 0.790 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000261726714 488533326 /nfs/dbraw/zinc/53/33/26/488533326.db2.gz JPXBQMRGMDXDJC-QGZVFWFLSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000261726714 488533328 /nfs/dbraw/zinc/53/33/28/488533328.db2.gz JPXBQMRGMDXDJC-QGZVFWFLSA-N 2 2 368.503 0.855 20 0 FCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261760978 488534848 /nfs/dbraw/zinc/53/48/48/488534848.db2.gz XSTZJOKSPQZDPN-MRXNPFEDSA-N 2 2 363.487 0.817 20 0 FCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)O1 ZINC000261790820 488536042 /nfs/dbraw/zinc/53/60/42/488536042.db2.gz NNZACGVERWPTHS-SJORKVTESA-N 2 2 360.458 0.712 20 0 FCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261856940 488539087 /nfs/dbraw/zinc/53/90/87/488539087.db2.gz RZDVNEZKPKCKPN-HXUWFJFHSA-N 3 2 360.502 0.806 20 0 FCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261856940 488539088 /nfs/dbraw/zinc/53/90/88/488539088.db2.gz RZDVNEZKPKCKPN-HXUWFJFHSA-N 3 2 360.502 0.806 20 0 FCADLP C[C@]1(C[NH3+])CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000261856940 488539090 /nfs/dbraw/zinc/53/90/90/488539090.db2.gz RZDVNEZKPKCKPN-HXUWFJFHSA-N 2 2 360.502 0.806 20 0 FCADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)CC1 ZINC000569942149 491204823 /nfs/dbraw/zinc/20/48/23/491204823.db2.gz YWITYJUJEHZHFQ-WMLDXEAASA-N 2 2 371.547 0.732 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262026478 488547036 /nfs/dbraw/zinc/54/70/36/488547036.db2.gz GLZAHCJUPVNMHB-AEFFLSMTSA-N 2 2 362.474 0.276 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000120120250 488560232 /nfs/dbraw/zinc/56/02/32/488560232.db2.gz ZZJAVIGBICUSML-WMLDXEAASA-N 2 2 370.519 0.733 20 0 FCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000120120536 488560411 /nfs/dbraw/zinc/56/04/11/488560411.db2.gz ZZJAVIGBICUSML-RHSMWYFYSA-N 2 2 370.519 0.733 20 0 FCADLP COCC[NH+]1CCN(c2cc(N3CC[NH+](CCOC)CC3)ncn2)CC1 ZINC000120932770 488563864 /nfs/dbraw/zinc/56/38/64/488563864.db2.gz IUVZTMRDWICSNV-UHFFFAOYSA-N 2 2 364.494 0.013 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)CC1 ZINC000121262067 488565736 /nfs/dbraw/zinc/56/57/36/488565736.db2.gz IKALIEPPQHWRIT-UHFFFAOYSA-N 2 2 365.522 0.857 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC3CC3)CC1)CCC2 ZINC000569960283 491206674 /nfs/dbraw/zinc/20/66/74/491206674.db2.gz RSGNNXAUSUIDGK-MRXNPFEDSA-N 2 2 359.474 0.739 20 0 FCADLP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000122114601 488575432 /nfs/dbraw/zinc/57/54/32/488575432.db2.gz JKGXBNQPMQJCMV-MRXNPFEDSA-N 2 2 363.510 0.628 20 0 FCADLP C[C@H](C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000122237134 488576885 /nfs/dbraw/zinc/57/68/85/488576885.db2.gz XZKFHWSCIJSRIA-RBUKOAKNSA-N 2 2 373.545 0.949 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)C[NH+]1CCCC1 ZINC000123034459 488582107 /nfs/dbraw/zinc/58/21/07/488582107.db2.gz QVNMUXDPYNJRIH-KRWDZBQOSA-N 2 2 365.522 0.668 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH2+]C)c2cnn(C)c2)CC1 ZINC000262617053 488582132 /nfs/dbraw/zinc/58/21/32/488582132.db2.gz ZEPJUBNEVKSFIH-QGZVFWFLSA-N 2 2 364.494 0.083 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH2+]C)c2cnn(C)c2)CC1 ZINC000262617053 488582134 /nfs/dbraw/zinc/58/21/34/488582134.db2.gz ZEPJUBNEVKSFIH-QGZVFWFLSA-N 2 2 364.494 0.083 20 0 FCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000262667363 488585376 /nfs/dbraw/zinc/58/53/76/488585376.db2.gz PYMDFDVKTWMGPF-SJLPKXTDSA-N 2 2 360.458 0.044 20 0 FCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000262667364 488585419 /nfs/dbraw/zinc/58/54/19/488585419.db2.gz PYMDFDVKTWMGPF-WMZOPIPTSA-N 2 2 360.458 0.044 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124306339 488591258 /nfs/dbraw/zinc/59/12/58/488591258.db2.gz PHNZCOCWUHONMI-MRXNPFEDSA-N 2 2 357.462 0.732 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124306339 488591261 /nfs/dbraw/zinc/59/12/61/488591261.db2.gz PHNZCOCWUHONMI-MRXNPFEDSA-N 2 2 357.462 0.732 20 0 FCADLP C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C[NH2+]1 ZINC000272610254 488592358 /nfs/dbraw/zinc/59/23/58/488592358.db2.gz WBGNNHWIDOHELP-HZPDHXFCSA-N 2 2 359.474 0.719 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262779858 488592889 /nfs/dbraw/zinc/59/28/89/488592889.db2.gz NDKKTYXXOCGYDO-MRXNPFEDSA-N 2 2 370.457 0.969 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124441459 488593003 /nfs/dbraw/zinc/59/30/03/488593003.db2.gz JARRDVCHVSQMTC-CYBMUJFWSA-N 2 2 365.459 0.880 20 0 FCADLP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124441459 488593005 /nfs/dbraw/zinc/59/30/05/488593005.db2.gz JARRDVCHVSQMTC-CYBMUJFWSA-N 2 2 365.459 0.880 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000563056339 491210871 /nfs/dbraw/zinc/21/08/71/491210871.db2.gz IWEANVBPBIPMJJ-IKGGRYGDSA-N 2 2 350.507 0.920 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124572937 488594254 /nfs/dbraw/zinc/59/42/54/488594254.db2.gz DYRQXNLOKMMGQJ-UHFFFAOYSA-N 2 2 362.474 0.537 20 0 FCADLP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000262925962 488599708 /nfs/dbraw/zinc/59/97/08/488599708.db2.gz ZULHIVXKPHANHX-CQSZACIVSA-N 2 2 368.503 0.366 20 0 FCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000262948649 488600588 /nfs/dbraw/zinc/60/05/88/488600588.db2.gz VHDFZGASHCNFOG-QGZVFWFLSA-N 2 2 351.447 0.378 20 0 FCADLP C[C@@]([NH3+])(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000262962738 488601133 /nfs/dbraw/zinc/60/11/33/488601133.db2.gz WTMFPOWLSIUTBB-IBGZPJMESA-N 2 2 354.458 0.589 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000125668538 488603612 /nfs/dbraw/zinc/60/36/12/488603612.db2.gz VLYLAALMAMNGKY-UHFFFAOYSA-N 2 2 370.457 0.547 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263052658 488603695 /nfs/dbraw/zinc/60/36/95/488603695.db2.gz URYVVSKQZLEJRF-KDOFPFPSSA-N 2 2 357.462 0.920 20 0 FCADLP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC1 ZINC000554590290 491211609 /nfs/dbraw/zinc/21/16/09/491211609.db2.gz WXLCQUCELMCXNI-CVEARBPZSA-N 2 2 366.506 0.347 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000126033207 488606315 /nfs/dbraw/zinc/60/63/15/488606315.db2.gz DNZUOMUWBKMLIW-WMLDXEAASA-N 2 2 363.506 0.465 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000126033207 488606316 /nfs/dbraw/zinc/60/63/16/488606316.db2.gz DNZUOMUWBKMLIW-WMLDXEAASA-N 2 2 363.506 0.465 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000126033696 488606579 /nfs/dbraw/zinc/60/65/79/488606579.db2.gz DNZUOMUWBKMLIW-YOEHRIQHSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000126033696 488606582 /nfs/dbraw/zinc/60/65/82/488606582.db2.gz DNZUOMUWBKMLIW-YOEHRIQHSA-N 2 2 363.506 0.465 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000126383570 488608835 /nfs/dbraw/zinc/60/88/35/488608835.db2.gz HPLMMTVAHDAJDV-MRXNPFEDSA-N 2 2 351.495 0.989 20 0 FCADLP O=C(C[NH2+]CC1CC1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000263280786 488609025 /nfs/dbraw/zinc/60/90/25/488609025.db2.gz RXTXADVWEMOAMN-UHFFFAOYSA-N 2 2 360.458 0.687 20 0 FCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000127163183 488614590 /nfs/dbraw/zinc/61/45/90/488614590.db2.gz XXXSJKYCHWACLH-HZPDHXFCSA-N 2 2 368.503 0.548 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130532151 488638239 /nfs/dbraw/zinc/63/82/39/488638239.db2.gz AEVRXRVVWKRYSI-HRCADAONSA-N 2 2 359.474 0.752 20 0 FCADLP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000130556386 488638925 /nfs/dbraw/zinc/63/89/25/488638925.db2.gz KBLSRASKJPOBPQ-OAHLLOKOSA-N 2 2 360.458 0.687 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000131203537 488643660 /nfs/dbraw/zinc/64/36/60/488643660.db2.gz ZRBUSBCXBBTEEJ-NVXWUHKLSA-N 2 2 356.511 0.848 20 0 FCADLP C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131203537 488643661 /nfs/dbraw/zinc/64/36/61/488643661.db2.gz ZRBUSBCXBBTEEJ-NVXWUHKLSA-N 2 2 356.511 0.848 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000131200431 488643692 /nfs/dbraw/zinc/64/36/92/488643692.db2.gz ZFFKTQVESAAJDW-FUHWJXTLSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000131200431 488643693 /nfs/dbraw/zinc/64/36/93/488643693.db2.gz ZFFKTQVESAAJDW-FUHWJXTLSA-N 2 2 365.449 0.980 20 0 FCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000131316076 488644482 /nfs/dbraw/zinc/64/44/82/488644482.db2.gz UXTNIWRNDIKYSG-QGZVFWFLSA-N 2 2 370.453 0.697 20 0 FCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000131316076 488644483 /nfs/dbraw/zinc/64/44/83/488644483.db2.gz UXTNIWRNDIKYSG-QGZVFWFLSA-N 2 2 370.453 0.697 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000132022119 488650153 /nfs/dbraw/zinc/65/01/53/488650153.db2.gz BOJDHJDXARYAGY-CALCHBBNSA-N 2 2 360.568 0.806 20 0 FCADLP CCS(=O)(=O)NCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000132022119 488650154 /nfs/dbraw/zinc/65/01/54/488650154.db2.gz BOJDHJDXARYAGY-CALCHBBNSA-N 2 2 360.568 0.806 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264260184 488658804 /nfs/dbraw/zinc/65/88/04/488658804.db2.gz LZSNJVPFNABAQY-UHFFFAOYSA-N 2 2 365.478 0.638 20 0 FCADLP CC(=O)N1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000133881534 488662570 /nfs/dbraw/zinc/66/25/70/488662570.db2.gz HMUKZLKAUILRJS-KRWDZBQOSA-N 2 2 365.522 0.857 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570093002 491215841 /nfs/dbraw/zinc/21/58/41/491215841.db2.gz DYSNLTZOZLCOFZ-SJLPKXTDSA-N 2 2 374.485 0.277 20 0 FCADLP CNC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000570093002 491215844 /nfs/dbraw/zinc/21/58/44/491215844.db2.gz DYSNLTZOZLCOFZ-SJLPKXTDSA-N 2 2 374.485 0.277 20 0 FCADLP C[C@@H](c1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000264356266 488666656 /nfs/dbraw/zinc/66/66/56/488666656.db2.gz URTMAAVJULTGCS-HNNXBMFYSA-N 2 2 360.458 0.792 20 0 FCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC12CCOCC2 ZINC000570093227 491216189 /nfs/dbraw/zinc/21/61/89/491216189.db2.gz LJGBFYHXRLBAOK-AWEZNQCLSA-N 2 2 358.442 0.659 20 0 FCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC12CCOCC2 ZINC000570093227 491216191 /nfs/dbraw/zinc/21/61/91/491216191.db2.gz LJGBFYHXRLBAOK-AWEZNQCLSA-N 2 2 358.442 0.659 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925783 488670206 /nfs/dbraw/zinc/67/02/06/488670206.db2.gz HWCZVPDJPBYBAZ-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134925783 488670207 /nfs/dbraw/zinc/67/02/07/488670207.db2.gz HWCZVPDJPBYBAZ-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134925783 488670209 /nfs/dbraw/zinc/67/02/09/488670209.db2.gz HWCZVPDJPBYBAZ-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP CC(C)(C)NC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134925783 488670210 /nfs/dbraw/zinc/67/02/10/488670210.db2.gz HWCZVPDJPBYBAZ-GDBMZVCRSA-N 2 2 350.507 0.966 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000135947360 488675782 /nfs/dbraw/zinc/67/57/82/488675782.db2.gz SONNSWZMCZKSRF-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000135947360 488675785 /nfs/dbraw/zinc/67/57/85/488675785.db2.gz SONNSWZMCZKSRF-MRXNPFEDSA-N 2 2 361.490 0.848 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000136226751 488677091 /nfs/dbraw/zinc/67/70/91/488677091.db2.gz YXKTXAVSIFELNF-NVXWUHKLSA-N 2 2 363.506 0.718 20 0 FCADLP C[C@H]1CN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000137312722 488680747 /nfs/dbraw/zinc/68/07/47/488680747.db2.gz RLWOASGELLHXCV-DOTOQJQBSA-N 2 2 362.474 0.815 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698452 488699708 /nfs/dbraw/zinc/69/97/08/488699708.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000264698452 488699710 /nfs/dbraw/zinc/69/97/10/488699710.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000264698452 488699712 /nfs/dbraw/zinc/69/97/12/488699712.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 2 359.518 0.978 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000264698452 488699713 /nfs/dbraw/zinc/69/97/13/488699713.db2.gz GLYSDPXMCTWTIL-VQIMIIECSA-N 2 2 359.518 0.978 20 0 FCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000150858888 488700923 /nfs/dbraw/zinc/70/09/23/488700923.db2.gz IHUURGFCOLAOFL-QGZVFWFLSA-N 2 2 374.485 0.982 20 0 FCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000150858888 488700925 /nfs/dbraw/zinc/70/09/25/488700925.db2.gz IHUURGFCOLAOFL-QGZVFWFLSA-N 2 2 374.485 0.982 20 0 FCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842945 488718257 /nfs/dbraw/zinc/71/82/57/488718257.db2.gz LJYGMUWIHYXKNG-IAGOWNOFSA-N 2 2 351.470 0.973 20 0 FCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000264842945 488718258 /nfs/dbraw/zinc/71/82/58/488718258.db2.gz LJYGMUWIHYXKNG-IAGOWNOFSA-N 2 2 351.470 0.973 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(C(=O)[C@H](C)O)CC3)c2cc1C ZINC000153180350 488728038 /nfs/dbraw/zinc/72/80/38/488728038.db2.gz MTPRELBUWGRVOQ-JKSUJKDBSA-N 2 2 360.458 0.539 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(C(=O)[C@@H](C)O)CC3)c2cc1C ZINC000153180231 488728101 /nfs/dbraw/zinc/72/81/01/488728101.db2.gz MTPRELBUWGRVOQ-CVEARBPZSA-N 2 2 360.458 0.539 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000570087601 491215456 /nfs/dbraw/zinc/21/54/56/491215456.db2.gz RXVVSAVSUSAKAG-BQFCYCMXSA-N 2 2 368.522 0.258 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153601769 488732869 /nfs/dbraw/zinc/73/28/69/488732869.db2.gz FWAMWGJMIIGORX-WMZOPIPTSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153601769 488732871 /nfs/dbraw/zinc/73/28/71/488732871.db2.gz FWAMWGJMIIGORX-WMZOPIPTSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601769 488732873 /nfs/dbraw/zinc/73/28/73/488732873.db2.gz FWAMWGJMIIGORX-WMZOPIPTSA-N 2 2 373.501 0.852 20 0 FCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCN(C(N)=O)CC1 ZINC000153601769 488732876 /nfs/dbraw/zinc/73/28/76/488732876.db2.gz FWAMWGJMIIGORX-WMZOPIPTSA-N 2 2 373.501 0.852 20 0 FCADLP COc1c(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)nn1C ZINC000153812055 488735404 /nfs/dbraw/zinc/73/54/04/488735404.db2.gz SYQVTZCMIIMYNC-UHFFFAOYSA-N 2 2 366.510 0.905 20 0 FCADLP COc1c(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)nn1C ZINC000153812055 488735406 /nfs/dbraw/zinc/73/54/06/488735406.db2.gz SYQVTZCMIIMYNC-UHFFFAOYSA-N 2 2 366.510 0.905 20 0 FCADLP CNC(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000154585307 488745379 /nfs/dbraw/zinc/74/53/79/488745379.db2.gz VWQFMNAKMPUYQG-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP CNC(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000154585307 488745382 /nfs/dbraw/zinc/74/53/82/488745382.db2.gz VWQFMNAKMPUYQG-UHFFFAOYSA-N 2 2 352.504 0.850 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[NH2+]C3CC3)c2)CC1 ZINC000154637288 488745634 /nfs/dbraw/zinc/74/56/34/488745634.db2.gz YEIHPUGLNRLXMK-UHFFFAOYSA-N 2 2 352.460 0.313 20 0 FCADLP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000154795516 488747500 /nfs/dbraw/zinc/74/75/00/488747500.db2.gz CLCFEOZCYZLGOY-UHFFFAOYSA-N 2 2 361.490 0.393 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](O)COCC3CC3)CC2)CC1 ZINC000155024730 488749627 /nfs/dbraw/zinc/74/96/27/488749627.db2.gz OOCRTFOHSLYTLO-SFHVURJKSA-N 2 2 368.522 0.632 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C[C@@H]21 ZINC000155918834 488760177 /nfs/dbraw/zinc/76/01/77/488760177.db2.gz LVLHZZCPNZVCOF-VSZNYVQBSA-N 2 2 366.506 0.479 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C[C@@H]21 ZINC000155918834 488760180 /nfs/dbraw/zinc/76/01/80/488760180.db2.gz LVLHZZCPNZVCOF-VSZNYVQBSA-N 2 2 366.506 0.479 20 0 FCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@@H]21 ZINC000155898714 488760317 /nfs/dbraw/zinc/76/03/17/488760317.db2.gz IBRSGGIFBOWSNZ-ZWKOTPCHSA-N 2 2 359.474 0.770 20 0 FCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C[C@@H]21 ZINC000155898714 488760320 /nfs/dbraw/zinc/76/03/20/488760320.db2.gz IBRSGGIFBOWSNZ-ZWKOTPCHSA-N 2 2 359.474 0.770 20 0 FCADLP CC1CCC(O)(C[NH+]2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000156146515 488762275 /nfs/dbraw/zinc/76/22/75/488762275.db2.gz SXKWYHLLIAPKQP-UHFFFAOYSA-N 2 2 374.551 0.037 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000156366355 488764691 /nfs/dbraw/zinc/76/46/91/488764691.db2.gz YOPTWYCPSDBYMA-QGZVFWFLSA-N 2 2 358.442 0.616 20 0 FCADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000156366355 488764693 /nfs/dbraw/zinc/76/46/93/488764693.db2.gz YOPTWYCPSDBYMA-QGZVFWFLSA-N 2 2 358.442 0.616 20 0 FCADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288359 488770528 /nfs/dbraw/zinc/77/05/28/488770528.db2.gz ZTQMKAVDAIEQDY-DLBZAZTESA-N 2 2 362.474 0.592 20 0 FCADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157288359 488770530 /nfs/dbraw/zinc/77/05/30/488770530.db2.gz ZTQMKAVDAIEQDY-DLBZAZTESA-N 2 2 362.474 0.592 20 0 FCADLP Cc1ccc(CC(=O)N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000275227947 488774919 /nfs/dbraw/zinc/77/49/19/488774919.db2.gz LAFWMQZRNDHBRF-UHFFFAOYSA-N 2 2 372.513 0.846 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000267333023 488778821 /nfs/dbraw/zinc/77/88/21/488778821.db2.gz PCWGRPIDAANJNO-UHFFFAOYSA-N 2 2 369.491 0.482 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158720063 488780179 /nfs/dbraw/zinc/78/01/79/488780179.db2.gz IAYRYQHDDUSEJZ-UHFFFAOYSA-N 2 2 371.489 0.986 20 0 FCADLP CCOc1ccccc1N1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162465644 488802613 /nfs/dbraw/zinc/80/26/13/488802613.db2.gz CHKDZBRZWFMYEH-GJZGRUSLSA-N 2 2 360.458 0.540 20 0 FCADLP CCOc1ccccc1N1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162465644 488802615 /nfs/dbraw/zinc/80/26/15/488802615.db2.gz CHKDZBRZWFMYEH-GJZGRUSLSA-N 2 2 360.458 0.540 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162460567 488802776 /nfs/dbraw/zinc/80/27/76/488802776.db2.gz NOMSBUQMDCKCNB-YPMHNXCESA-N 2 2 374.894 0.108 20 0 FCADLP C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162460567 488802778 /nfs/dbraw/zinc/80/27/78/488802778.db2.gz NOMSBUQMDCKCNB-YPMHNXCESA-N 2 2 374.894 0.108 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000162742424 488805071 /nfs/dbraw/zinc/80/50/71/488805071.db2.gz CDKFSXFGZOOTSV-FUHWJXTLSA-N 2 2 365.449 0.804 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000162742424 488805074 /nfs/dbraw/zinc/80/50/74/488805074.db2.gz CDKFSXFGZOOTSV-FUHWJXTLSA-N 2 2 365.449 0.804 20 0 FCADLP C[C@@H]([NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCOC1 ZINC000162813243 488805324 /nfs/dbraw/zinc/80/53/24/488805324.db2.gz JSMAGYWLEYBWDF-KGLIPLIRSA-N 2 2 373.461 0.027 20 0 FCADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000163672341 488808480 /nfs/dbraw/zinc/80/84/80/488808480.db2.gz GYXMMPZSYIODMK-INIZCTEOSA-N 2 2 353.850 0.851 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)CC1 ZINC000167819599 488812548 /nfs/dbraw/zinc/81/25/48/488812548.db2.gz BYZMOJKIVXLZGG-OAHLLOKOSA-N 2 2 354.520 0.442 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171007778 488819005 /nfs/dbraw/zinc/81/90/05/488819005.db2.gz GBQGTLQYPIOTEP-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171007778 488819003 /nfs/dbraw/zinc/81/90/03/488819003.db2.gz GBQGTLQYPIOTEP-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171007778 488819006 /nfs/dbraw/zinc/81/90/06/488819006.db2.gz GBQGTLQYPIOTEP-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN(C)CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171007778 488819008 /nfs/dbraw/zinc/81/90/08/488819008.db2.gz GBQGTLQYPIOTEP-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642520 488825019 /nfs/dbraw/zinc/82/50/19/488825019.db2.gz ZOXLSNDFBXEAGM-LSDHHAIUSA-N 2 2 359.474 0.928 20 0 FCADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171642520 488825020 /nfs/dbraw/zinc/82/50/20/488825020.db2.gz ZOXLSNDFBXEAGM-LSDHHAIUSA-N 2 2 359.474 0.928 20 0 FCADLP Cc1cc(NC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n(C)n1 ZINC000171657371 488825452 /nfs/dbraw/zinc/82/54/52/488825452.db2.gz VUFRBWIRJZHBHV-UHFFFAOYSA-N 2 2 350.467 0.057 20 0 FCADLP O=C1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CN1CC[NH+]1CCOCC1 ZINC000172697189 488836560 /nfs/dbraw/zinc/83/65/60/488836560.db2.gz VYTLCRDADRPGPL-QGZVFWFLSA-N 2 2 370.457 0.494 20 0 FCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173219975 488841711 /nfs/dbraw/zinc/84/17/11/488841711.db2.gz XRPMXEOFQRGVOY-HNNXBMFYSA-N 2 2 352.398 0.679 20 0 FCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000173662861 488844230 /nfs/dbraw/zinc/84/42/30/488844230.db2.gz VVSYWPKIVZVUFP-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000173662861 488844231 /nfs/dbraw/zinc/84/42/31/488844231.db2.gz VVSYWPKIVZVUFP-FGTMMUONSA-N 2 2 368.522 0.992 20 0 FCADLP CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000174671755 488850629 /nfs/dbraw/zinc/85/06/29/488850629.db2.gz NIOAEBJXWRWDBG-FQEVSTJZSA-N 2 2 374.529 0.963 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000175179787 488853443 /nfs/dbraw/zinc/85/34/43/488853443.db2.gz UGEQRVVIODPWAO-IAGOWNOFSA-N 2 2 355.527 0.137 20 0 FCADLP C[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)CN1CC[NH+](C)CC1 ZINC000175179787 488853444 /nfs/dbraw/zinc/85/34/44/488853444.db2.gz UGEQRVVIODPWAO-IAGOWNOFSA-N 2 2 355.527 0.137 20 0 FCADLP NC(=O)C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175243776 488853517 /nfs/dbraw/zinc/85/35/17/488853517.db2.gz OOKALQSILDPZTE-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP NC(=O)C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175243776 488853518 /nfs/dbraw/zinc/85/35/18/488853518.db2.gz OOKALQSILDPZTE-MRXNPFEDSA-N 2 2 359.474 0.708 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380981 488859363 /nfs/dbraw/zinc/85/93/63/488859363.db2.gz LDGPMVAVOZCYHO-CQSZACIVSA-N 2 2 355.527 0.957 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380981 488859364 /nfs/dbraw/zinc/85/93/64/488859364.db2.gz LDGPMVAVOZCYHO-CQSZACIVSA-N 2 2 355.527 0.957 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177380981 488859365 /nfs/dbraw/zinc/85/93/65/488859365.db2.gz LDGPMVAVOZCYHO-CQSZACIVSA-N 2 2 355.527 0.957 20 0 FCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177380981 488859366 /nfs/dbraw/zinc/85/93/66/488859366.db2.gz LDGPMVAVOZCYHO-CQSZACIVSA-N 2 2 355.527 0.957 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 ZINC000179320302 488860939 /nfs/dbraw/zinc/86/09/39/488860939.db2.gz JBRVZUCZLNDKII-JKSUJKDBSA-N 2 2 351.495 0.465 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000179285190 488861035 /nfs/dbraw/zinc/86/10/35/488861035.db2.gz YUPAMYZRHMZSMC-QGZVFWFLSA-N 3 2 367.538 0.376 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179319678 488861110 /nfs/dbraw/zinc/86/11/10/488861110.db2.gz BLSHLDAGWCBLOW-UHFFFAOYSA-N 3 2 369.554 0.765 20 0 FCADLP CC(C)(CNC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1)[NH+]1CCOCC1 ZINC000182017283 488864063 /nfs/dbraw/zinc/86/40/63/488864063.db2.gz IGWIYYWMDLZCOA-MRXNPFEDSA-N 2 2 368.522 0.627 20 0 FCADLP CC(C)[C@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000182281761 488864455 /nfs/dbraw/zinc/86/44/55/488864455.db2.gz DIFPFXWKELBZJM-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP CC(C)[C@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000182281761 488864456 /nfs/dbraw/zinc/86/44/56/488864456.db2.gz DIFPFXWKELBZJM-SFHVURJKSA-N 2 2 369.554 0.622 20 0 FCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000279944465 488976212 /nfs/dbraw/zinc/97/62/12/488976212.db2.gz RQICPMQXGWDLHO-UHFFFAOYSA-N 2 2 362.503 0.953 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329196008 488979317 /nfs/dbraw/zinc/97/93/17/488979317.db2.gz VPVRESIEQJHSKF-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP CC[N@H+]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329196008 488979320 /nfs/dbraw/zinc/97/93/20/488979320.db2.gz VPVRESIEQJHSKF-UHFFFAOYSA-N 2 2 350.467 0.775 20 0 FCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)CC1 ZINC000329211274 488981420 /nfs/dbraw/zinc/98/14/20/488981420.db2.gz GYCWLXIRBKXHQC-HNNXBMFYSA-N 2 2 350.463 0.010 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329236670 488983445 /nfs/dbraw/zinc/98/34/45/488983445.db2.gz OLNOZSWYZDQYBB-KRWDZBQOSA-N 2 2 366.506 0.252 20 0 FCADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000288525979 488988714 /nfs/dbraw/zinc/98/87/14/488988714.db2.gz KPQZFWCOIYWQSO-UHFFFAOYSA-N 2 2 369.469 0.594 20 0 FCADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364733042 488994400 /nfs/dbraw/zinc/99/44/00/488994400.db2.gz IGVGRXGIPQWLAU-DLBZAZTESA-N 2 2 354.495 0.651 20 0 FCADLP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000364733042 488994404 /nfs/dbraw/zinc/99/44/04/488994404.db2.gz IGVGRXGIPQWLAU-DLBZAZTESA-N 2 2 354.495 0.651 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000364783071 489001744 /nfs/dbraw/zinc/00/17/44/489001744.db2.gz BKNASNLDPLOTNE-VYDXJSESSA-N 2 2 354.495 0.600 20 0 FCADLP COC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000364783071 489001747 /nfs/dbraw/zinc/00/17/47/489001747.db2.gz BKNASNLDPLOTNE-VYDXJSESSA-N 2 2 354.495 0.600 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@H]2C1 ZINC000329459179 489006680 /nfs/dbraw/zinc/00/66/80/489006680.db2.gz RNEBHLAPIHGHRH-CVEARBPZSA-N 2 2 362.478 0.773 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@H]2C1 ZINC000329459179 489006683 /nfs/dbraw/zinc/00/66/83/489006683.db2.gz RNEBHLAPIHGHRH-CVEARBPZSA-N 2 2 362.478 0.773 20 0 FCADLP CC[NH+]1CCN([C@H]2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)CC1 ZINC000364861111 489010951 /nfs/dbraw/zinc/01/09/51/489010951.db2.gz PJTLPEAEQWVNDE-IRXDYDNUSA-N 2 2 360.506 1.284 20 0 FCADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000280659785 489023482 /nfs/dbraw/zinc/02/34/82/489023482.db2.gz KWURZFMISLFYTA-SXLOBPIMSA-N 2 2 372.513 0.734 20 0 FCADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000280659785 489023485 /nfs/dbraw/zinc/02/34/85/489023485.db2.gz KWURZFMISLFYTA-SXLOBPIMSA-N 2 2 372.513 0.734 20 0 FCADLP OC(C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976735 489024979 /nfs/dbraw/zinc/02/49/79/489024979.db2.gz FMGBPAHPXZCOON-MWDXBVQZSA-N 2 2 374.572 0.760 20 0 FCADLP OC(C[NH+]1CCS[C@@H]2COCC[C@@H]21)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000364976735 489024983 /nfs/dbraw/zinc/02/49/83/489024983.db2.gz FMGBPAHPXZCOON-MWDXBVQZSA-N 2 2 374.572 0.760 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329710573 489029712 /nfs/dbraw/zinc/02/97/12/489029712.db2.gz MIXPPAPQUHMZPN-OAGGEKHMSA-N 2 2 352.479 0.803 20 0 FCADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329710573 489029714 /nfs/dbraw/zinc/02/97/14/489029714.db2.gz MIXPPAPQUHMZPN-OAGGEKHMSA-N 2 2 352.479 0.803 20 0 FCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929883 489029997 /nfs/dbraw/zinc/02/99/97/489029997.db2.gz DWRGPHOVQPVOQK-GOEBONIOSA-N 2 2 357.458 0.329 20 0 FCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288929883 489030001 /nfs/dbraw/zinc/03/00/01/489030001.db2.gz DWRGPHOVQPVOQK-GOEBONIOSA-N 2 2 357.458 0.329 20 0 FCADLP CN(C)[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000280775965 489030143 /nfs/dbraw/zinc/03/01/43/489030143.db2.gz MYBXFJOSTKBDIB-QGZVFWFLSA-N 2 2 371.489 0.486 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100969 489038562 /nfs/dbraw/zinc/03/85/62/489038562.db2.gz RJHRFDLTFZDALO-FUHWJXTLSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H](CN1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100969 489038563 /nfs/dbraw/zinc/03/85/63/489038563.db2.gz RJHRFDLTFZDALO-FUHWJXTLSA-N 2 2 367.538 0.517 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365100969 489038564 /nfs/dbraw/zinc/03/85/64/489038564.db2.gz RJHRFDLTFZDALO-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365100969 489038565 /nfs/dbraw/zinc/03/85/65/489038565.db2.gz RJHRFDLTFZDALO-FUHWJXTLSA-N 3 2 367.538 0.517 20 0 FCADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151697 489043713 /nfs/dbraw/zinc/04/37/13/489043713.db2.gz MRNKDDKBGZNWDB-SJLPKXTDSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000365151697 489043714 /nfs/dbraw/zinc/04/37/14/489043714.db2.gz MRNKDDKBGZNWDB-SJLPKXTDSA-N 2 2 352.523 0.630 20 0 FCADLP C[C@H](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1cc[nH+]c1 ZINC000563236019 491230247 /nfs/dbraw/zinc/23/02/47/491230247.db2.gz NJEXNHCFYSQNFY-CYBMUJFWSA-N 2 2 354.418 0.860 20 0 FCADLP CN(CCC[N@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CC[NH+](C)C ZINC000289572003 489077947 /nfs/dbraw/zinc/07/79/47/489077947.db2.gz YNKOVMIJKCJTFG-GOSISDBHSA-N 2 2 371.547 0.939 20 0 FCADLP CN(CCC[N@@H+](C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CC[NH+](C)C ZINC000289572003 489077950 /nfs/dbraw/zinc/07/79/50/489077950.db2.gz YNKOVMIJKCJTFG-GOSISDBHSA-N 2 2 371.547 0.939 20 0 FCADLP C[C@H](CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000570300221 491232060 /nfs/dbraw/zinc/23/20/60/491232060.db2.gz YPLIBVYSQXHVSP-JKSUJKDBSA-N 2 2 354.495 0.204 20 0 FCADLP C[N@H+](C[C@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000289698030 489086978 /nfs/dbraw/zinc/08/69/78/489086978.db2.gz FHQGVITWKKQACN-IBGZPJMESA-N 2 2 360.502 0.376 20 0 FCADLP C[N@@H+](C[C@H](O)CN1CC[NH+](CC(=O)NCc2ccccc2)CC1)C1CC1 ZINC000289698030 489086981 /nfs/dbraw/zinc/08/69/81/489086981.db2.gz FHQGVITWKKQACN-IBGZPJMESA-N 2 2 360.502 0.376 20 0 FCADLP C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000289770597 489092280 /nfs/dbraw/zinc/09/22/80/489092280.db2.gz LGHNHAYJMOJDMY-OAHLLOKOSA-N 2 2 367.515 0.849 20 0 FCADLP C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000289770597 489092284 /nfs/dbraw/zinc/09/22/84/489092284.db2.gz LGHNHAYJMOJDMY-OAHLLOKOSA-N 2 2 367.515 0.849 20 0 FCADLP COc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(OC)n1 ZINC000289806693 489094792 /nfs/dbraw/zinc/09/47/92/489094792.db2.gz ZMYMERPIAGVWSN-UHFFFAOYSA-N 2 2 358.446 0.930 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000554935464 491232837 /nfs/dbraw/zinc/23/28/37/491232837.db2.gz FWVSZPXSXSECJN-ANQUJSFKSA-N 2 2 355.479 0.484 20 0 FCADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000554935464 491232839 /nfs/dbraw/zinc/23/28/39/491232839.db2.gz FWVSZPXSXSECJN-ANQUJSFKSA-N 2 2 355.479 0.484 20 0 FCADLP Cc1oc(S(N)(=O)=O)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000281702229 489099098 /nfs/dbraw/zinc/09/90/98/489099098.db2.gz WBCKGIHEDXQPFC-UHFFFAOYSA-N 2 2 372.491 0.333 20 0 FCADLP Cc1oc(S(N)(=O)=O)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281702229 489099100 /nfs/dbraw/zinc/09/91/00/489099100.db2.gz WBCKGIHEDXQPFC-UHFFFAOYSA-N 2 2 372.491 0.333 20 0 FCADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000570329064 491233755 /nfs/dbraw/zinc/23/37/55/491233755.db2.gz FWZYSJVGIISJCX-IBGZPJMESA-N 2 2 360.502 0.819 20 0 FCADLP CN(C)c1noc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365778563 489112608 /nfs/dbraw/zinc/11/26/08/489112608.db2.gz ASLMXCGFLLJWRJ-AWEZNQCLSA-N 2 2 365.482 0.446 20 0 FCADLP CN(C)c1noc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365778563 489112611 /nfs/dbraw/zinc/11/26/11/489112611.db2.gz ASLMXCGFLLJWRJ-AWEZNQCLSA-N 2 2 365.482 0.446 20 0 FCADLP CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290093369 489114242 /nfs/dbraw/zinc/11/42/42/489114242.db2.gz HFAXWHAPGSRFMX-MRXNPFEDSA-N 2 2 362.478 0.939 20 0 FCADLP CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290093369 489114248 /nfs/dbraw/zinc/11/42/48/489114248.db2.gz HFAXWHAPGSRFMX-MRXNPFEDSA-N 2 2 362.478 0.939 20 0 FCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000290128877 489116580 /nfs/dbraw/zinc/11/65/80/489116580.db2.gz LQUMMNSDWJLDGF-QRQLOZEOSA-N 2 2 361.486 0.959 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000570322279 491234078 /nfs/dbraw/zinc/23/40/78/491234078.db2.gz GODRKNAORQTPCB-HOTGVXAUSA-N 2 2 351.447 0.048 20 0 FCADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000570322279 491234080 /nfs/dbraw/zinc/23/40/80/491234080.db2.gz GODRKNAORQTPCB-HOTGVXAUSA-N 2 2 351.447 0.048 20 0 FCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000563268564 491234390 /nfs/dbraw/zinc/23/43/90/491234390.db2.gz MFBGKBDXXYUPHV-IBGZPJMESA-N 2 2 367.490 0.800 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290288308 489127844 /nfs/dbraw/zinc/12/78/44/489127844.db2.gz BHFWFSDEWVWEBV-SJORKVTESA-N 2 2 373.501 0.967 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000290288308 489127847 /nfs/dbraw/zinc/12/78/47/489127847.db2.gz BHFWFSDEWVWEBV-SJORKVTESA-N 2 2 373.501 0.967 20 0 FCADLP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000570334117 491234591 /nfs/dbraw/zinc/23/45/91/491234591.db2.gz CUMXQXJHNGVCGC-INIZCTEOSA-N 2 2 370.457 0.694 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401954 489136836 /nfs/dbraw/zinc/13/68/36/489136836.db2.gz IRWJBWHFEUIGOG-RDJZCZTQSA-N 2 2 371.485 0.910 20 0 FCADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290401954 489136839 /nfs/dbraw/zinc/13/68/39/489136839.db2.gz IRWJBWHFEUIGOG-RDJZCZTQSA-N 2 2 371.485 0.910 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366120768 489147607 /nfs/dbraw/zinc/14/76/07/489147607.db2.gz UJGZSYXIDBUOLF-INIZCTEOSA-N 2 2 362.474 0.489 20 0 FCADLP Cc1cc(O)cc(=O)n1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366120768 489147609 /nfs/dbraw/zinc/14/76/09/489147609.db2.gz UJGZSYXIDBUOLF-INIZCTEOSA-N 2 2 362.474 0.489 20 0 FCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000290593512 489152210 /nfs/dbraw/zinc/15/22/10/489152210.db2.gz QXNDLLSQQGHBGA-MRXNPFEDSA-N 2 2 357.458 0.331 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262838 489163949 /nfs/dbraw/zinc/16/39/49/489163949.db2.gz NLDQSGZMFQZSTM-IRXDYDNUSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366262838 489163952 /nfs/dbraw/zinc/16/39/52/489163952.db2.gz NLDQSGZMFQZSTM-IRXDYDNUSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366262838 489163955 /nfs/dbraw/zinc/16/39/55/489163955.db2.gz NLDQSGZMFQZSTM-IRXDYDNUSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366262838 489163958 /nfs/dbraw/zinc/16/39/58/489163958.db2.gz NLDQSGZMFQZSTM-IRXDYDNUSA-N 2 2 354.495 0.506 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)[NH+]1CCOCC1 ZINC000366367851 489174797 /nfs/dbraw/zinc/17/47/97/489174797.db2.gz ZTHGCHKRVRBJQC-LSDHHAIUSA-N 2 2 357.520 0.420 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21)[NH+]1CCOCC1 ZINC000366367851 489174800 /nfs/dbraw/zinc/17/48/00/489174800.db2.gz ZTHGCHKRVRBJQC-LSDHHAIUSA-N 2 2 357.520 0.420 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366373870 489175237 /nfs/dbraw/zinc/17/52/37/489175237.db2.gz NUWDHDYFVQRCPH-ROUUACIJSA-N 2 2 351.491 0.999 20 0 FCADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366373870 489175238 /nfs/dbraw/zinc/17/52/38/489175238.db2.gz NUWDHDYFVQRCPH-ROUUACIJSA-N 2 2 351.491 0.999 20 0 FCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373083 489175514 /nfs/dbraw/zinc/17/55/14/489175514.db2.gz MFZYAYBVOBJEEM-RTBURBONSA-N 2 2 364.534 0.868 20 0 FCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC2)C1 ZINC000366373083 489175516 /nfs/dbraw/zinc/17/55/16/489175516.db2.gz MFZYAYBVOBJEEM-RTBURBONSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000366373083 489175517 /nfs/dbraw/zinc/17/55/17/489175517.db2.gz MFZYAYBVOBJEEM-RTBURBONSA-N 2 2 364.534 0.868 20 0 FCADLP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)C1 ZINC000366373083 489175519 /nfs/dbraw/zinc/17/55/19/489175519.db2.gz MFZYAYBVOBJEEM-RTBURBONSA-N 2 2 364.534 0.868 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366422354 489180380 /nfs/dbraw/zinc/18/03/80/489180380.db2.gz VHLOJBKSBLTHDK-FUHWJXTLSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366422354 489180383 /nfs/dbraw/zinc/18/03/83/489180383.db2.gz VHLOJBKSBLTHDK-FUHWJXTLSA-N 2 2 352.523 0.772 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000331373613 489203092 /nfs/dbraw/zinc/20/30/92/489203092.db2.gz CUJFQGXBULMIAK-NNXHMXCWSA-N 2 2 366.506 0.140 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000331373613 489203095 /nfs/dbraw/zinc/20/30/95/489203095.db2.gz CUJFQGXBULMIAK-NNXHMXCWSA-N 2 2 366.506 0.140 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000297632082 489215796 /nfs/dbraw/zinc/21/57/96/489215796.db2.gz HGHWLDPLKDDRAY-UHFFFAOYSA-N 2 2 355.442 0.652 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]c2c1 ZINC000283110897 489216637 /nfs/dbraw/zinc/21/66/37/489216637.db2.gz HYSROGYZCZPKBV-CVEARBPZSA-N 2 2 355.442 0.954 20 0 FCADLP Cc1ccn2cc(CNC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]c2c1 ZINC000283110897 489216640 /nfs/dbraw/zinc/21/66/40/489216640.db2.gz HYSROGYZCZPKBV-CVEARBPZSA-N 2 2 355.442 0.954 20 0 FCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000332767487 489227191 /nfs/dbraw/zinc/22/71/91/489227191.db2.gz XNPUMFNYGQZTQG-HOTGVXAUSA-N 2 2 350.507 0.920 20 0 FCADLP CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369368496 489231006 /nfs/dbraw/zinc/23/10/06/489231006.db2.gz CYXXCWZAGDSSIV-GOEBONIOSA-N 2 2 351.495 0.321 20 0 FCADLP CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369368496 489231008 /nfs/dbraw/zinc/23/10/08/489231008.db2.gz CYXXCWZAGDSSIV-GOEBONIOSA-N 2 2 351.495 0.321 20 0 FCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283271442 489236332 /nfs/dbraw/zinc/23/63/32/489236332.db2.gz AUVIIYBXHAOWKW-HOCLYGCPSA-N 2 2 357.458 0.982 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000283271437 489236351 /nfs/dbraw/zinc/23/63/51/489236351.db2.gz AUVIIYBXHAOWKW-GOEBONIOSA-N 2 2 357.458 0.982 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297761323 489236642 /nfs/dbraw/zinc/23/66/42/489236642.db2.gz PTKDTGNNBZFBIF-AWEZNQCLSA-N 2 2 351.451 0.152 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@H+]1CCO ZINC000369463746 489241193 /nfs/dbraw/zinc/24/11/93/489241193.db2.gz OYUHGJSKSZYGJI-BBWFWOEESA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000369463746 489241194 /nfs/dbraw/zinc/24/11/94/489241194.db2.gz OYUHGJSKSZYGJI-BBWFWOEESA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)[NH+]1CCO ZINC000369463746 489241195 /nfs/dbraw/zinc/24/11/95/489241195.db2.gz OYUHGJSKSZYGJI-BBWFWOEESA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)[NH+]1CCO ZINC000369463746 489241196 /nfs/dbraw/zinc/24/11/96/489241196.db2.gz OYUHGJSKSZYGJI-BBWFWOEESA-N 3 2 367.538 0.251 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467603 491242906 /nfs/dbraw/zinc/24/29/06/491242906.db2.gz CLLRRFILBRHUMS-CZUORRHYSA-N 2 2 359.474 0.477 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000570467603 491242908 /nfs/dbraw/zinc/24/29/08/491242908.db2.gz CLLRRFILBRHUMS-CZUORRHYSA-N 2 2 359.474 0.477 20 0 FCADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC1CC[NH+](C)CC1 ZINC000369773906 489273830 /nfs/dbraw/zinc/27/38/30/489273830.db2.gz RJDNGBKPPREZEQ-QGZVFWFLSA-N 2 2 370.457 0.919 20 0 FCADLP COc1ccc(C(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000570515957 491246274 /nfs/dbraw/zinc/24/62/74/491246274.db2.gz APAQHDBTENFZSC-UHFFFAOYSA-N 2 2 362.474 0.367 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000555328605 491246393 /nfs/dbraw/zinc/24/63/93/491246393.db2.gz XMMYPUAYNARUPC-HLIPFELVSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000555328605 491246397 /nfs/dbraw/zinc/24/63/97/491246397.db2.gz XMMYPUAYNARUPC-HLIPFELVSA-N 2 2 374.485 0.999 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000298173828 489299763 /nfs/dbraw/zinc/29/97/63/489299763.db2.gz UJAUXHHFZSUWST-QGZVFWFLSA-N 2 2 373.501 0.841 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000298173828 489299766 /nfs/dbraw/zinc/29/97/66/489299766.db2.gz UJAUXHHFZSUWST-QGZVFWFLSA-N 2 2 373.501 0.841 20 0 FCADLP COCCN(CC[NH+](C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000370056691 489311218 /nfs/dbraw/zinc/31/12/18/489311218.db2.gz HSASJUWAEUSOKR-UHFFFAOYSA-N 2 2 368.482 0.257 20 0 FCADLP O=C(NCC[NH+]1CCCCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000370066933 489312489 /nfs/dbraw/zinc/31/24/89/489312489.db2.gz WDLFDQUTYHSWMN-UHFFFAOYSA-N 2 2 350.467 0.823 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000285852786 489327259 /nfs/dbraw/zinc/32/72/59/489327259.db2.gz JYEPGDATUJLXPL-INIZCTEOSA-N 2 2 361.421 0.866 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000285865249 489328041 /nfs/dbraw/zinc/32/80/41/489328041.db2.gz KPUIQUFEVMVTLF-QGZVFWFLSA-N 2 2 355.442 0.823 20 0 FCADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000285865249 489328044 /nfs/dbraw/zinc/32/80/44/489328044.db2.gz KPUIQUFEVMVTLF-QGZVFWFLSA-N 2 2 355.442 0.823 20 0 FCADLP CCOC(=O)COc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000563429595 491244379 /nfs/dbraw/zinc/24/43/79/491244379.db2.gz QHZDWLHUDMMCQJ-CQSZACIVSA-N 2 2 350.419 0.735 20 0 FCADLP CCOC(=O)COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000563429595 491244380 /nfs/dbraw/zinc/24/43/80/491244380.db2.gz QHZDWLHUDMMCQJ-CQSZACIVSA-N 2 2 350.419 0.735 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000286013780 489346370 /nfs/dbraw/zinc/34/63/70/489346370.db2.gz JKWZGCPOLJXROJ-OAHLLOKOSA-N 2 2 369.469 0.942 20 0 FCADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000286013780 489346374 /nfs/dbraw/zinc/34/63/74/489346374.db2.gz JKWZGCPOLJXROJ-OAHLLOKOSA-N 2 2 369.469 0.942 20 0 FCADLP C[NH2+][C@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000286102732 489356630 /nfs/dbraw/zinc/35/66/30/489356630.db2.gz NSNBZWOEFQWBGI-SFHVURJKSA-N 2 2 374.464 0.758 20 0 FCADLP C[N@@H+]1CCN(CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236340 489372431 /nfs/dbraw/zinc/37/24/31/489372431.db2.gz UNWSJFBDSDQLLH-RTBURBONSA-N 2 2 360.502 0.860 20 0 FCADLP C[N@H+]1CCN(CCCNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000286236340 489372434 /nfs/dbraw/zinc/37/24/34/489372434.db2.gz UNWSJFBDSDQLLH-RTBURBONSA-N 2 2 360.502 0.860 20 0 FCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000370592480 489379571 /nfs/dbraw/zinc/37/95/71/489379571.db2.gz GVRMMEJNWUVIOS-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000370592480 489379573 /nfs/dbraw/zinc/37/95/73/489379573.db2.gz GVRMMEJNWUVIOS-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000370592480 489379577 /nfs/dbraw/zinc/37/95/77/489379577.db2.gz GVRMMEJNWUVIOS-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000370592480 489379579 /nfs/dbraw/zinc/37/95/79/489379579.db2.gz GVRMMEJNWUVIOS-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cc1 ZINC000370616332 489383155 /nfs/dbraw/zinc/38/31/55/489383155.db2.gz RNSQTLHBALLEAE-AEFFLSMTSA-N 2 2 371.489 0.719 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392880 489387236 /nfs/dbraw/zinc/38/72/36/489387236.db2.gz BSUUKFDBDZKYHU-QZTJIDSGSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392880 489387238 /nfs/dbraw/zinc/38/72/38/489387238.db2.gz BSUUKFDBDZKYHU-QZTJIDSGSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392880 489387239 /nfs/dbraw/zinc/38/72/39/489387239.db2.gz BSUUKFDBDZKYHU-QZTJIDSGSA-N 2 2 374.485 0.339 20 0 FCADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000286392880 489387241 /nfs/dbraw/zinc/38/72/41/489387241.db2.gz BSUUKFDBDZKYHU-QZTJIDSGSA-N 2 2 374.485 0.339 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362705214 489393046 /nfs/dbraw/zinc/39/30/46/489393046.db2.gz WSSGHUXWWIZXGZ-NXHRZFHOSA-N 2 2 360.506 0.483 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362705214 489393050 /nfs/dbraw/zinc/39/30/50/489393050.db2.gz WSSGHUXWWIZXGZ-NXHRZFHOSA-N 2 2 360.506 0.483 20 0 FCADLP C[C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[NH+]1CCSCC1 ZINC000362783165 489397372 /nfs/dbraw/zinc/39/73/72/489397372.db2.gz YVZHNBKPCVNCCJ-HOCLYGCPSA-N 2 2 359.561 0.748 20 0 FCADLP O=C(NCCC[NH+]1CCOCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000362840824 489401102 /nfs/dbraw/zinc/40/11/02/489401102.db2.gz RWQRBXSUUNJKMW-UHFFFAOYSA-N 2 2 368.522 0.853 20 0 FCADLP CN(C(=O)c1ccccc1OCC(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829868 489408617 /nfs/dbraw/zinc/40/86/17/489408617.db2.gz JQNPXUPENNGJAJ-MRXNPFEDSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)c1ccccc1OCC(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829868 489408620 /nfs/dbraw/zinc/40/86/20/489408620.db2.gz JQNPXUPENNGJAJ-MRXNPFEDSA-N 2 2 374.485 0.791 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363009544 489410914 /nfs/dbraw/zinc/41/09/14/489410914.db2.gz VKNYGJCCKHQYBF-OAHLLOKOSA-N 2 2 357.462 0.702 20 0 FCADLP CC(C)[NH+](CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000363033798 489414015 /nfs/dbraw/zinc/41/40/15/489414015.db2.gz ZUTFANCMMQPGEP-QGZVFWFLSA-N 2 2 368.522 0.402 20 0 FCADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286675905 489416304 /nfs/dbraw/zinc/41/63/04/489416304.db2.gz WMUYAAWNTLPPOI-HUUCEWRRSA-N 2 2 365.478 0.265 20 0 FCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254062 /nfs/dbraw/zinc/25/40/62/491254062.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 3 2 374.529 0.929 20 0 FCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254064 /nfs/dbraw/zinc/25/40/64/491254064.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254065 /nfs/dbraw/zinc/25/40/65/491254065.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 3 2 374.529 0.929 20 0 FCADLP C[NH+](C[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000570626419 491254067 /nfs/dbraw/zinc/25/40/67/491254067.db2.gz MTPHBAXFYTXUPD-AZUAARDMSA-N 3 2 374.529 0.929 20 0 FCADLP CCS(=O)(=O)NCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000570625653 491254070 /nfs/dbraw/zinc/25/40/70/491254070.db2.gz FBICQCOTDXZXGP-CQSZACIVSA-N 2 2 354.476 0.543 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753853 489425663 /nfs/dbraw/zinc/42/56/63/489425663.db2.gz RUDLTPVATVDIHE-ZBFHGGJFSA-N 2 2 355.442 0.673 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753853 489425667 /nfs/dbraw/zinc/42/56/67/489425667.db2.gz RUDLTPVATVDIHE-ZBFHGGJFSA-N 2 2 355.442 0.673 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363218323 489440002 /nfs/dbraw/zinc/44/00/02/489440002.db2.gz HPNXHSAALAMMQJ-LSDHHAIUSA-N 2 2 353.511 0.711 20 0 FCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218323 489440003 /nfs/dbraw/zinc/44/00/03/489440003.db2.gz HPNXHSAALAMMQJ-LSDHHAIUSA-N 2 2 353.511 0.711 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363221224 489440835 /nfs/dbraw/zinc/44/08/35/489440835.db2.gz OFUSHYKVKHYZHN-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363221224 489440838 /nfs/dbraw/zinc/44/08/38/489440838.db2.gz OFUSHYKVKHYZHN-AWEZNQCLSA-N 2 2 361.446 0.267 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363221225 489441039 /nfs/dbraw/zinc/44/10/39/489441039.db2.gz OFUSHYKVKHYZHN-CQSZACIVSA-N 2 2 361.446 0.267 20 0 FCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363221225 489441043 /nfs/dbraw/zinc/44/10/43/489441043.db2.gz OFUSHYKVKHYZHN-CQSZACIVSA-N 2 2 361.446 0.267 20 0 FCADLP [NH3+]CCc1ccccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000570692821 491258567 /nfs/dbraw/zinc/25/85/67/491258567.db2.gz YOYJQEUDQFEVNV-UHFFFAOYSA-N 2 2 354.458 0.530 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000286990724 489450049 /nfs/dbraw/zinc/45/00/49/489450049.db2.gz PSDODROILJRMAN-ZFWWWQNUSA-N 2 2 373.461 0.409 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000371132962 489454728 /nfs/dbraw/zinc/45/47/28/489454728.db2.gz XQAWZBKWLRSYCT-UHFFFAOYSA-N 2 2 372.429 0.305 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCO1 ZINC000563559416 491254830 /nfs/dbraw/zinc/25/48/30/491254830.db2.gz DXSLBFIQSHZRGS-ZWKOTPCHSA-N 2 2 362.474 0.819 20 0 FCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000287109028 489461999 /nfs/dbraw/zinc/46/19/99/489461999.db2.gz JRYCOGXWFTWDII-HRCADAONSA-N 2 2 359.474 0.766 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000371299350 489475260 /nfs/dbraw/zinc/47/52/60/489475260.db2.gz FZPRPLRQUUCSHQ-BRSBDYLESA-N 2 2 366.506 0.297 20 0 FCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000371299350 489475263 /nfs/dbraw/zinc/47/52/63/489475263.db2.gz FZPRPLRQUUCSHQ-BRSBDYLESA-N 2 2 366.506 0.297 20 0 FCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@H]1C[NH3+] ZINC000563581497 491256244 /nfs/dbraw/zinc/25/62/44/491256244.db2.gz KEZLXHRRGBJNNN-DOTOQJQBSA-N 2 2 365.522 0.557 20 0 FCADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2C1 ZINC000371400675 489482964 /nfs/dbraw/zinc/48/29/64/489482964.db2.gz INTHFTOXLBMCRS-ZWKOTPCHSA-N 2 2 372.469 0.628 20 0 FCADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2C1 ZINC000371400675 489482965 /nfs/dbraw/zinc/48/29/65/489482965.db2.gz INTHFTOXLBMCRS-ZWKOTPCHSA-N 2 2 372.469 0.628 20 0 FCADLP CC(C)CN(C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000371567547 489488592 /nfs/dbraw/zinc/48/85/92/489488592.db2.gz BOXOQPWSYBRAFR-UHFFFAOYSA-N 2 2 353.507 0.793 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]1 ZINC000423114577 489494462 /nfs/dbraw/zinc/49/44/62/489494462.db2.gz LSHDEUKJVCHHCK-AWEZNQCLSA-N 2 2 350.488 0.255 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)n1C ZINC000414301682 489495398 /nfs/dbraw/zinc/49/53/98/489495398.db2.gz KCFNOWORFDKNNR-UHFFFAOYSA-N 2 2 351.476 0.695 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000414305171 489495666 /nfs/dbraw/zinc/49/56/66/489495666.db2.gz PRSORXQVBKMIQN-UHFFFAOYSA-N 2 2 356.474 0.925 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)n1C ZINC000414344501 489497033 /nfs/dbraw/zinc/49/70/33/489497033.db2.gz CLEYQUQFRXGZJK-AWEZNQCLSA-N 2 2 359.496 0.064 20 0 FCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1C ZINC000414361419 489497582 /nfs/dbraw/zinc/49/75/82/489497582.db2.gz CGBZNLJFOACXSK-SFHVURJKSA-N 3 2 372.517 0.865 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423254118 489507666 /nfs/dbraw/zinc/50/76/66/489507666.db2.gz XELWFOFPDGDADM-GDBMZVCRSA-N 2 2 360.458 0.145 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000415387335 489516880 /nfs/dbraw/zinc/51/68/80/489516880.db2.gz YGVURRFCZZALRQ-UHFFFAOYSA-N 2 2 361.490 0.616 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000570721195 491260482 /nfs/dbraw/zinc/26/04/82/491260482.db2.gz UOYMOHIRHYGGHI-LSDHHAIUSA-N 2 2 362.474 0.377 20 0 FCADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000415436783 489521069 /nfs/dbraw/zinc/52/10/69/489521069.db2.gz YTURNMNXVGVWLC-MRXNPFEDSA-N 2 2 362.474 0.947 20 0 FCADLP CNc1nnc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000371895035 489522959 /nfs/dbraw/zinc/52/29/59/489522959.db2.gz WHYLDIIBWHFCTL-CYBMUJFWSA-N 2 2 352.508 0.749 20 0 FCADLP CNc1nnc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000371895035 489522961 /nfs/dbraw/zinc/52/29/61/489522961.db2.gz WHYLDIIBWHFCTL-CYBMUJFWSA-N 2 2 352.508 0.749 20 0 FCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000415505331 489525504 /nfs/dbraw/zinc/52/55/04/489525504.db2.gz XTSMXBJOFRMZIT-CQSZACIVSA-N 2 2 363.462 0.799 20 0 FCADLP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451948236 489533720 /nfs/dbraw/zinc/53/37/20/489533720.db2.gz SHAPMHLOUTXMOO-HZPDHXFCSA-N 2 2 353.488 0.786 20 0 FCADLP [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCO1 ZINC000415608375 489536317 /nfs/dbraw/zinc/53/63/17/489536317.db2.gz RXCLGKMFOJRJII-CQSZACIVSA-N 2 2 371.441 0.887 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000372051449 489540355 /nfs/dbraw/zinc/54/03/55/489540355.db2.gz KHHSKPMCLPOSCY-KRWDZBQOSA-N 2 2 364.494 0.321 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000372051449 489540356 /nfs/dbraw/zinc/54/03/56/489540356.db2.gz KHHSKPMCLPOSCY-KRWDZBQOSA-N 2 2 364.494 0.321 20 0 FCADLP CC1(C)CN(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000372064385 489540910 /nfs/dbraw/zinc/54/09/10/489540910.db2.gz CHMKYJPFWHPZEE-UHFFFAOYSA-N 2 2 354.539 0.483 20 0 FCADLP CC1(C)CN(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000372064385 489540912 /nfs/dbraw/zinc/54/09/12/489540912.db2.gz CHMKYJPFWHPZEE-UHFFFAOYSA-N 2 2 354.539 0.483 20 0 FCADLP C[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000452063425 489542679 /nfs/dbraw/zinc/54/26/79/489542679.db2.gz BBXBGBLBHURGTC-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000452063425 489542684 /nfs/dbraw/zinc/54/26/84/489542684.db2.gz BBXBGBLBHURGTC-QFBILLFUSA-N 2 2 373.497 0.968 20 0 FCADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425923325 489548999 /nfs/dbraw/zinc/54/89/99/489548999.db2.gz OCVLHTUTNCSKIK-GOSISDBHSA-N 2 2 367.515 0.591 20 0 FCADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425923325 489549003 /nfs/dbraw/zinc/54/90/03/489549003.db2.gz OCVLHTUTNCSKIK-GOSISDBHSA-N 2 2 367.515 0.591 20 0 FCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425923325 489549008 /nfs/dbraw/zinc/54/90/08/489549008.db2.gz OCVLHTUTNCSKIK-GOSISDBHSA-N 2 2 367.515 0.591 20 0 FCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425923325 489549011 /nfs/dbraw/zinc/54/90/11/489549011.db2.gz OCVLHTUTNCSKIK-GOSISDBHSA-N 2 2 367.515 0.591 20 0 FCADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425923329 489549272 /nfs/dbraw/zinc/54/92/72/489549272.db2.gz OCVLHTUTNCSKIK-SFHVURJKSA-N 2 2 367.515 0.591 20 0 FCADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425923329 489549274 /nfs/dbraw/zinc/54/92/74/489549274.db2.gz OCVLHTUTNCSKIK-SFHVURJKSA-N 2 2 367.515 0.591 20 0 FCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425923329 489549279 /nfs/dbraw/zinc/54/92/79/489549279.db2.gz OCVLHTUTNCSKIK-SFHVURJKSA-N 2 2 367.515 0.591 20 0 FCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425923329 489549282 /nfs/dbraw/zinc/54/92/82/489549282.db2.gz OCVLHTUTNCSKIK-SFHVURJKSA-N 2 2 367.515 0.591 20 0 FCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426022346 489552783 /nfs/dbraw/zinc/55/27/83/489552783.db2.gz LWMUNQDEKHTMIB-OWCLPIDISA-N 2 2 367.538 0.944 20 0 FCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000426022346 489552786 /nfs/dbraw/zinc/55/27/86/489552786.db2.gz LWMUNQDEKHTMIB-OWCLPIDISA-N 2 2 367.538 0.944 20 0 FCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049656 489553434 /nfs/dbraw/zinc/55/34/34/489553434.db2.gz MPTUGCFGNFHFPE-ROUUACIJSA-N 2 2 369.554 0.670 20 0 FCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049656 489553437 /nfs/dbraw/zinc/55/34/37/489553437.db2.gz MPTUGCFGNFHFPE-ROUUACIJSA-N 2 2 369.554 0.670 20 0 FCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049658 489553690 /nfs/dbraw/zinc/55/36/90/489553690.db2.gz MPTUGCFGNFHFPE-ZWKOTPCHSA-N 2 2 369.554 0.670 20 0 FCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC000426049658 489553692 /nfs/dbraw/zinc/55/36/92/489553692.db2.gz MPTUGCFGNFHFPE-ZWKOTPCHSA-N 2 2 369.554 0.670 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000453974427 489556306 /nfs/dbraw/zinc/55/63/06/489556306.db2.gz WYCNRFZUODBERW-CALCHBBNSA-N 2 2 374.485 0.975 20 0 FCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000453974427 489556309 /nfs/dbraw/zinc/55/63/09/489556309.db2.gz WYCNRFZUODBERW-CALCHBBNSA-N 2 2 374.485 0.975 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccco1 ZINC000555656455 491262665 /nfs/dbraw/zinc/26/26/65/491262665.db2.gz UMFNMYIAZWEZES-CQSZACIVSA-N 2 2 374.445 0.066 20 0 FCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C[C@@H]21 ZINC000454385211 489568944 /nfs/dbraw/zinc/56/89/44/489568944.db2.gz WRBVGBNOBLVXIE-VYDXJSESSA-N 2 2 354.520 0.540 20 0 FCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C[C@@H]21 ZINC000454385211 489568947 /nfs/dbraw/zinc/56/89/47/489568947.db2.gz WRBVGBNOBLVXIE-VYDXJSESSA-N 2 2 354.520 0.540 20 0 FCADLP Cc1cc(N2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)nc(C(C)C)[nH+]1 ZINC000372313057 489569291 /nfs/dbraw/zinc/56/92/91/489569291.db2.gz HGTJJIVKVIOBNT-KRWDZBQOSA-N 2 2 372.517 0.947 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000416142352 489571395 /nfs/dbraw/zinc/57/13/95/489571395.db2.gz CHNLLYSVXCGPHA-OWCLPIDISA-N 2 2 361.552 0.930 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000416142352 489571397 /nfs/dbraw/zinc/57/13/97/489571397.db2.gz CHNLLYSVXCGPHA-OWCLPIDISA-N 2 2 361.552 0.930 20 0 FCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555667601 491264024 /nfs/dbraw/zinc/26/40/24/491264024.db2.gz WEHDYTCNUQWGLY-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000555667601 491264025 /nfs/dbraw/zinc/26/40/25/491264025.db2.gz WEHDYTCNUQWGLY-HNNXBMFYSA-N 2 2 368.522 0.450 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000555675672 491265143 /nfs/dbraw/zinc/26/51/43/491265143.db2.gz OCPUMPGAMSLIFX-OAHLLOKOSA-N 2 2 354.495 0.155 20 0 FCADLP C[C@@H](CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000455423560 489592414 /nfs/dbraw/zinc/59/24/14/489592414.db2.gz AMDOSOJOTUEFID-CVEARBPZSA-N 2 2 353.511 0.665 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000427313192 489602423 /nfs/dbraw/zinc/60/24/23/489602423.db2.gz LYCQSZQUDIXTSD-AWEZNQCLSA-N 2 2 366.487 0.561 20 0 FCADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000555686476 491266148 /nfs/dbraw/zinc/26/61/48/491266148.db2.gz HLSJPGICCBTVRW-IBGZPJMESA-N 2 2 370.497 0.931 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000555686476 491266149 /nfs/dbraw/zinc/26/61/49/491266149.db2.gz HLSJPGICCBTVRW-IBGZPJMESA-N 2 2 370.497 0.931 20 0 FCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372649734 489615482 /nfs/dbraw/zinc/61/54/82/489615482.db2.gz OMCUKDDZHBOMBT-AABGKKOBSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372649734 489615486 /nfs/dbraw/zinc/61/54/86/489615486.db2.gz OMCUKDDZHBOMBT-AABGKKOBSA-N 2 2 373.497 0.945 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033539 489633360 /nfs/dbraw/zinc/63/33/60/489633360.db2.gz QIJKJDCKKNNZLJ-WMZOPIPTSA-N 2 2 356.470 0.879 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000428033539 489633364 /nfs/dbraw/zinc/63/33/64/489633364.db2.gz QIJKJDCKKNNZLJ-WMZOPIPTSA-N 2 2 356.470 0.879 20 0 FCADLP CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457085267 489635035 /nfs/dbraw/zinc/63/50/35/489635035.db2.gz ZHLZYJBCEKWWIT-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457085267 489635036 /nfs/dbraw/zinc/63/50/36/489635036.db2.gz ZHLZYJBCEKWWIT-MRXNPFEDSA-N 2 2 366.506 0.158 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416957478 489636225 /nfs/dbraw/zinc/63/62/25/489636225.db2.gz ZKBJJIOOFCBJCO-MRXNPFEDSA-N 2 2 372.473 0.906 20 0 FCADLP Cc1cccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCOCC2)c1 ZINC000417004299 489638201 /nfs/dbraw/zinc/63/82/01/489638201.db2.gz WRJVSNHOLNIMLN-MSOLQXFVSA-N 2 2 362.474 0.737 20 0 FCADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000555724440 491267958 /nfs/dbraw/zinc/26/79/58/491267958.db2.gz UJMQSEOIGHNGCN-GOSISDBHSA-N 2 2 369.469 0.980 20 0 FCADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000555724440 491267960 /nfs/dbraw/zinc/26/79/60/491267960.db2.gz UJMQSEOIGHNGCN-GOSISDBHSA-N 2 2 369.469 0.980 20 0 FCADLP Cc1ccc(NCCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[nH+]c1 ZINC000417059210 489640157 /nfs/dbraw/zinc/64/01/57/489640157.db2.gz HTNFSJYWRFTVLC-MRXNPFEDSA-N 2 2 374.489 0.798 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417164188 489643915 /nfs/dbraw/zinc/64/39/15/489643915.db2.gz VIAJUWBWYLWIFF-MRXNPFEDSA-N 2 2 361.494 0.288 20 0 FCADLP Cc1ccn2cc(CNC(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)[nH+]c2c1 ZINC000417251819 489645671 /nfs/dbraw/zinc/64/56/71/489645671.db2.gz ZPUTXTRKCYUIJI-CQSZACIVSA-N 2 2 358.446 0.639 20 0 FCADLP C[C@H]([NH3+])C1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000417272956 489646241 /nfs/dbraw/zinc/64/62/41/489646241.db2.gz RTUIDAHEXNJLQL-WMLDXEAASA-N 2 2 356.536 0.963 20 0 FCADLP [NH3+]CCCCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000417317286 489648130 /nfs/dbraw/zinc/64/81/30/489648130.db2.gz IDVDMAALKQKNQA-UHFFFAOYSA-N 2 2 350.463 0.936 20 0 FCADLP [NH3+]C[C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000417317708 489648194 /nfs/dbraw/zinc/64/81/94/489648194.db2.gz JPNCANVYFPQUDE-MRXNPFEDSA-N 2 2 362.474 0.888 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417371920 489650584 /nfs/dbraw/zinc/65/05/84/489650584.db2.gz XLRVEAPOYVODJB-OAHLLOKOSA-N 2 2 360.462 0.124 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)O1 ZINC000457590705 489650583 /nfs/dbraw/zinc/65/05/83/489650583.db2.gz YTCVELWXTAADNK-VQHPVUNQSA-N 2 2 354.495 0.648 20 0 FCADLP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)O1 ZINC000457590705 489650586 /nfs/dbraw/zinc/65/05/86/489650586.db2.gz YTCVELWXTAADNK-VQHPVUNQSA-N 2 2 354.495 0.648 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000555733953 491269063 /nfs/dbraw/zinc/26/90/63/491269063.db2.gz AOODAVZUPCTQOM-MRXNPFEDSA-N 2 2 354.495 0.062 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000555733953 491269064 /nfs/dbraw/zinc/26/90/64/491269064.db2.gz AOODAVZUPCTQOM-MRXNPFEDSA-N 2 2 354.495 0.062 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417517856 489656694 /nfs/dbraw/zinc/65/66/94/489656694.db2.gz RJKKRAQKPGGESV-UHFFFAOYSA-N 2 2 371.436 0.272 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417602710 489659856 /nfs/dbraw/zinc/65/98/56/489659856.db2.gz PFARCPJYYZUPFP-OAHLLOKOSA-N 2 2 356.417 0.823 20 0 FCADLP [NH3+][C@H](CNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CC1 ZINC000417623106 489660305 /nfs/dbraw/zinc/66/03/05/489660305.db2.gz JHQZAURJUQJYHX-QGZVFWFLSA-N 2 2 365.522 0.747 20 0 FCADLP C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000563797413 491269735 /nfs/dbraw/zinc/26/97/35/491269735.db2.gz CXINDYUUZAISOT-GJZGRUSLSA-N 2 2 374.489 0.979 20 0 FCADLP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000373086102 489667100 /nfs/dbraw/zinc/66/71/00/489667100.db2.gz AKXPUQYQKLYMAX-SJORKVTESA-N 2 2 366.506 0.015 20 0 FCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000458287780 489675998 /nfs/dbraw/zinc/67/59/98/489675998.db2.gz BVOQRUNYFMVFNK-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP C[N@H+](CCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000555756453 491270988 /nfs/dbraw/zinc/27/09/88/491270988.db2.gz GYYSIHHWAGVRJD-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP C[N@@H+](CCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000555756453 491270991 /nfs/dbraw/zinc/27/09/91/491270991.db2.gz GYYSIHHWAGVRJD-UHFFFAOYSA-N 2 2 358.486 0.931 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCC[NH2+]C2CC2)cn1 ZINC000418301924 489689937 /nfs/dbraw/zinc/68/99/37/489689937.db2.gz PJSVFOBIKXCNFN-HOCLYGCPSA-N 2 2 352.458 0.774 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCC[NH2+]C2CC2)cn1 ZINC000418301924 489689941 /nfs/dbraw/zinc/68/99/41/489689941.db2.gz PJSVFOBIKXCNFN-HOCLYGCPSA-N 2 2 352.458 0.774 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1cccs1 ZINC000489116973 489695669 /nfs/dbraw/zinc/69/56/69/489695669.db2.gz JNQDRVUMHRJSMB-ZDUSSCGKSA-N 2 2 367.519 0.942 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418411481 489697205 /nfs/dbraw/zinc/69/72/05/489697205.db2.gz FUCAQTHMDBDKCO-JKSUJKDBSA-N 2 2 371.526 0.228 20 0 FCADLP O=C(C[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1)N1CCCC1 ZINC000418547925 489706316 /nfs/dbraw/zinc/70/63/16/489706316.db2.gz BORXEQPDBJQWFT-UHFFFAOYSA-N 2 2 371.485 0.739 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418568352 489708084 /nfs/dbraw/zinc/70/80/84/489708084.db2.gz BLCMIIZNTIRPDY-ARFHVFGLSA-N 2 2 369.510 0.125 20 0 FCADLP NC(=O)[C@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000429918130 489708990 /nfs/dbraw/zinc/70/89/90/489708990.db2.gz PFMSRMDKDYPMPR-BQFCYCMXSA-N 2 2 369.469 0.962 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@H+](C)[C@@H]2CC2(C)C)CC1 ZINC000489491863 489713936 /nfs/dbraw/zinc/71/39/36/489713936.db2.gz CXVRABYIYHUVHF-CQSZACIVSA-N 2 2 357.462 0.742 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[N@@H+](C)[C@@H]2CC2(C)C)CC1 ZINC000489491863 489713939 /nfs/dbraw/zinc/71/39/39/489713939.db2.gz CXVRABYIYHUVHF-CQSZACIVSA-N 2 2 357.462 0.742 20 0 FCADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000418650071 489715449 /nfs/dbraw/zinc/71/54/49/489715449.db2.gz JWRWYZXIKIBPGB-MRXNPFEDSA-N 2 2 361.490 0.840 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1=O ZINC000430243138 489727263 /nfs/dbraw/zinc/72/72/63/489727263.db2.gz TYMILUALZWIQPM-ROUUACIJSA-N 2 2 369.469 0.927 20 0 FCADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000570929490 491274405 /nfs/dbraw/zinc/27/44/05/491274405.db2.gz FIBICAJBJRYAHZ-QGZVFWFLSA-N 2 2 360.458 0.716 20 0 FCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489821770 489729926 /nfs/dbraw/zinc/72/99/26/489729926.db2.gz AORKBBXCGAJVTR-FGTMMUONSA-N 2 2 352.523 0.677 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)c1N ZINC000459420730 489731513 /nfs/dbraw/zinc/73/15/13/489731513.db2.gz IHVMMKYUBRISQW-OAHLLOKOSA-N 2 2 365.478 0.734 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1N ZINC000459420730 489731515 /nfs/dbraw/zinc/73/15/15/489731515.db2.gz IHVMMKYUBRISQW-OAHLLOKOSA-N 2 2 365.478 0.734 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489912431 489734809 /nfs/dbraw/zinc/73/48/09/489734809.db2.gz VPXATRBYIQYLPX-CQSZACIVSA-N 2 2 366.487 0.426 20 0 FCADLP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489912431 489734812 /nfs/dbraw/zinc/73/48/12/489734812.db2.gz VPXATRBYIQYLPX-CQSZACIVSA-N 2 2 366.487 0.426 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCOc1ccc(Cl)cc1 ZINC000489931641 489735726 /nfs/dbraw/zinc/73/57/26/489735726.db2.gz GEJHBQVLCJJWGD-MRXNPFEDSA-N 2 2 366.893 0.815 20 0 FCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC(=O)NCc1cccs1 ZINC000489942733 489736565 /nfs/dbraw/zinc/73/65/65/489736565.db2.gz QBLROMLHNBJPAQ-CYBMUJFWSA-N 2 2 351.476 0.053 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570986851 491278621 /nfs/dbraw/zinc/27/86/21/491278621.db2.gz PUTGTMWNSXOAIB-TTZDDIAXSA-N 2 2 360.458 0.505 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570986851 491278622 /nfs/dbraw/zinc/27/86/22/491278622.db2.gz PUTGTMWNSXOAIB-TTZDDIAXSA-N 2 2 360.458 0.505 20 0 FCADLP C[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)CC(C)(C)C[NH3+] ZINC000430557059 489745956 /nfs/dbraw/zinc/74/59/56/489745956.db2.gz MHYHKVZWZTVSOT-UHFFFAOYSA-N 2 2 354.476 0.140 20 0 FCADLP C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)CC(C)(C)C[NH3+] ZINC000430557059 489745961 /nfs/dbraw/zinc/74/59/61/489745961.db2.gz MHYHKVZWZTVSOT-UHFFFAOYSA-N 2 2 354.476 0.140 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000418837380 489747942 /nfs/dbraw/zinc/74/79/42/489747942.db2.gz SQACGOXKHFFNAF-PXNSSMCTSA-N 2 2 374.485 0.201 20 0 FCADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000418837380 489747946 /nfs/dbraw/zinc/74/79/46/489747946.db2.gz SQACGOXKHFFNAF-PXNSSMCTSA-N 2 2 374.485 0.201 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000430584460 489748464 /nfs/dbraw/zinc/74/84/64/489748464.db2.gz ZDBWFUYISOSNHO-KBPBESRZSA-N 2 2 368.503 0.949 20 0 FCADLP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000430584460 489748466 /nfs/dbraw/zinc/74/84/66/489748466.db2.gz ZDBWFUYISOSNHO-KBPBESRZSA-N 2 2 368.503 0.949 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430583609 489748534 /nfs/dbraw/zinc/74/85/34/489748534.db2.gz NJBBFNPXBXTVFE-INIZCTEOSA-N 2 2 370.519 0.298 20 0 FCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430583609 489748536 /nfs/dbraw/zinc/74/85/36/489748536.db2.gz NJBBFNPXBXTVFE-INIZCTEOSA-N 2 2 370.519 0.298 20 0 FCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000430579417 489748690 /nfs/dbraw/zinc/74/86/90/489748690.db2.gz GHAQBPDOXPITMW-AWEZNQCLSA-N 2 2 362.883 0.889 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430586261 489749247 /nfs/dbraw/zinc/74/92/47/489749247.db2.gz YIGBBSPPYZJBKL-STQMWFEESA-N 2 2 354.476 0.640 20 0 FCADLP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430586261 489749249 /nfs/dbraw/zinc/74/92/49/489749249.db2.gz YIGBBSPPYZJBKL-STQMWFEESA-N 2 2 354.476 0.640 20 0 FCADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC([NH2+]CC3CC3)CC1)c(=O)n2C ZINC000430593740 489749505 /nfs/dbraw/zinc/74/95/05/489749505.db2.gz UCFAHBWPLTXZFV-UHFFFAOYSA-N 2 2 374.489 0.288 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586986 489749738 /nfs/dbraw/zinc/74/97/38/489749738.db2.gz UPGXAOABKHCSRW-IUODEOHRSA-N 2 2 356.492 0.966 20 0 FCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000430586986 489749745 /nfs/dbraw/zinc/74/97/45/489749745.db2.gz UPGXAOABKHCSRW-IUODEOHRSA-N 2 2 356.492 0.966 20 0 FCADLP O=C([C@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430602187 489750185 /nfs/dbraw/zinc/75/01/85/489750185.db2.gz GMBKZFKMVHXGDA-INIZCTEOSA-N 2 2 365.499 0.604 20 0 FCADLP O=C([C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430602187 489750189 /nfs/dbraw/zinc/75/01/89/489750189.db2.gz GMBKZFKMVHXGDA-INIZCTEOSA-N 2 2 365.499 0.604 20 0 FCADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000430598835 489750597 /nfs/dbraw/zinc/75/05/97/489750597.db2.gz UIWGZXSYPHAWGY-KRWDZBQOSA-N 2 2 350.488 0.750 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000418842362 489751952 /nfs/dbraw/zinc/75/19/52/489751952.db2.gz ZVWUJWCTHZTNFR-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH2+]1 ZINC000418842362 489751954 /nfs/dbraw/zinc/75/19/54/489751954.db2.gz ZVWUJWCTHZTNFR-JFIYKMOQSA-N 2 2 374.485 0.212 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614373 489753248 /nfs/dbraw/zinc/75/32/48/489753248.db2.gz YVLNQOGVAPXDCM-HZPDHXFCSA-N 2 2 362.474 0.884 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000430614373 489753252 /nfs/dbraw/zinc/75/32/52/489753252.db2.gz YVLNQOGVAPXDCM-HZPDHXFCSA-N 2 2 362.474 0.884 20 0 FCADLP CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC[NH2+]CC1 ZINC000430617789 489754924 /nfs/dbraw/zinc/75/49/24/489754924.db2.gz PACKMQCLAFXZGO-UHFFFAOYSA-N 2 2 372.513 0.950 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430618052 489755004 /nfs/dbraw/zinc/75/50/04/489755004.db2.gz QWAWZHGUIZIPER-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000430618052 489755006 /nfs/dbraw/zinc/75/50/06/489755006.db2.gz QWAWZHGUIZIPER-CQSZACIVSA-N 2 2 368.503 0.855 20 0 FCADLP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631061 489759057 /nfs/dbraw/zinc/75/90/57/489759057.db2.gz ZRAWUDIOEYIPAF-JKSUJKDBSA-N 2 2 369.473 0.867 20 0 FCADLP C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631061 489759060 /nfs/dbraw/zinc/75/90/60/489759060.db2.gz ZRAWUDIOEYIPAF-JKSUJKDBSA-N 2 2 369.473 0.867 20 0 FCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000376609106 489760016 /nfs/dbraw/zinc/76/00/16/489760016.db2.gz ACKQNPRGRRFFKJ-SJLPKXTDSA-N 2 2 367.538 0.517 20 0 FCADLP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000459829184 489762836 /nfs/dbraw/zinc/76/28/36/489762836.db2.gz IBMIFMAFZZVEFA-KRWDZBQOSA-N 2 2 371.485 0.817 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655564 489764010 /nfs/dbraw/zinc/76/40/10/489764010.db2.gz RULZOZDHBCZBNJ-QWHCGFSZSA-N 2 2 354.476 0.592 20 0 FCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430655564 489764013 /nfs/dbraw/zinc/76/40/13/489764013.db2.gz RULZOZDHBCZBNJ-QWHCGFSZSA-N 2 2 354.476 0.592 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)CC1CC[NH2+]CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000430696884 489765496 /nfs/dbraw/zinc/76/54/96/489765496.db2.gz WSANMTHAAKZHHO-YJBOKZPZSA-N 2 2 368.522 0.355 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000430742007 489768973 /nfs/dbraw/zinc/76/89/73/489768973.db2.gz VCKCRLLNDSIWMC-IBGZPJMESA-N 2 2 368.522 0.405 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000430742007 489768976 /nfs/dbraw/zinc/76/89/76/489768976.db2.gz VCKCRLLNDSIWMC-IBGZPJMESA-N 2 2 368.522 0.405 20 0 FCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000430796855 489771755 /nfs/dbraw/zinc/77/17/55/489771755.db2.gz LYXJJCIBXOPTSZ-QGZVFWFLSA-N 2 2 370.457 0.900 20 0 FCADLP C[NH2+]CC1CC[NH+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000430923046 489777770 /nfs/dbraw/zinc/77/77/70/489777770.db2.gz DGGYIJSGSYFZMT-MRXNPFEDSA-N 2 2 359.536 0.590 20 0 FCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430939911 489779349 /nfs/dbraw/zinc/77/93/49/489779349.db2.gz MWAMHSANCHPMCL-QWHCGFSZSA-N 2 2 366.487 0.153 20 0 FCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000430939911 489779352 /nfs/dbraw/zinc/77/93/52/489779352.db2.gz MWAMHSANCHPMCL-QWHCGFSZSA-N 2 2 366.487 0.153 20 0 FCADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000430934775 489779568 /nfs/dbraw/zinc/77/95/68/489779568.db2.gz NSXOSVZJQNOUQW-SNVBAGLBSA-N 2 2 374.894 0.985 20 0 FCADLP C[C@H]1C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000430941202 489779795 /nfs/dbraw/zinc/77/97/95/489779795.db2.gz UXKNWZFXGLLFNF-DLBZAZTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@H]1C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000430941202 489779797 /nfs/dbraw/zinc/77/97/97/489779797.db2.gz UXKNWZFXGLLFNF-DLBZAZTESA-N 3 2 352.523 0.807 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430946671 489780753 /nfs/dbraw/zinc/78/07/53/489780753.db2.gz BKYJOEAJVBBIEL-CRAIPNDOSA-N 2 2 374.485 0.444 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430946671 489780755 /nfs/dbraw/zinc/78/07/55/489780755.db2.gz BKYJOEAJVBBIEL-CRAIPNDOSA-N 2 2 374.485 0.444 20 0 FCADLP CN(C(=O)[C@@H]1CCSC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000474701742 489781245 /nfs/dbraw/zinc/78/12/45/489781245.db2.gz ACWCYPDVRRKSBV-OAHLLOKOSA-N 2 2 368.547 0.436 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000430960316 489781687 /nfs/dbraw/zinc/78/16/87/489781687.db2.gz IGWHIMRTJZYHSR-KBPBESRZSA-N 2 2 350.438 0.660 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000430960316 489781690 /nfs/dbraw/zinc/78/16/90/489781690.db2.gz IGWHIMRTJZYHSR-KBPBESRZSA-N 2 2 350.438 0.660 20 0 FCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430957348 489781866 /nfs/dbraw/zinc/78/18/66/489781866.db2.gz OLGIABILNQTYJJ-QWHCGFSZSA-N 2 2 368.503 0.584 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000430953342 489782227 /nfs/dbraw/zinc/78/22/27/489782227.db2.gz GTKACVMMNTYFEC-NSHDSACASA-N 2 2 374.894 0.809 20 0 FCADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000430953342 489782232 /nfs/dbraw/zinc/78/22/32/489782232.db2.gz GTKACVMMNTYFEC-NSHDSACASA-N 2 2 374.894 0.809 20 0 FCADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000430964189 489782511 /nfs/dbraw/zinc/78/25/11/489782511.db2.gz CWUDISTUJQNFFQ-IRXDYDNUSA-N 2 2 360.502 0.817 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970256 489783058 /nfs/dbraw/zinc/78/30/58/489783058.db2.gz GUZLWMCSKVKCFE-LMOYCYGVSA-N 2 2 368.503 0.569 20 0 FCADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000430970256 489783064 /nfs/dbraw/zinc/78/30/64/489783064.db2.gz GUZLWMCSKVKCFE-LMOYCYGVSA-N 2 2 368.503 0.569 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430972370 489783454 /nfs/dbraw/zinc/78/34/54/489783454.db2.gz RZQGHRJRHPTQHH-ZDUSSCGKSA-N 2 2 351.447 0.870 20 0 FCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430972370 489783458 /nfs/dbraw/zinc/78/34/58/489783458.db2.gz RZQGHRJRHPTQHH-ZDUSSCGKSA-N 2 2 351.447 0.870 20 0 FCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418906149 489784139 /nfs/dbraw/zinc/78/41/39/489784139.db2.gz FLQWHMRHHSHHHZ-JKSUJKDBSA-N 2 2 374.485 0.344 20 0 FCADLP CC(C)C1CCC([NH+]2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)CC1 ZINC000431020775 489785249 /nfs/dbraw/zinc/78/52/49/489785249.db2.gz DNECEJMOZVBLSA-UHFFFAOYSA-N 2 2 350.507 0.777 20 0 FCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418909596 489786178 /nfs/dbraw/zinc/78/61/78/489786178.db2.gz JOENCKWGNNAHRO-SFHVURJKSA-N 2 2 374.485 0.345 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000418910641 489786366 /nfs/dbraw/zinc/78/63/66/489786366.db2.gz KEDDFHHRPHMKLX-UHFFFAOYSA-N 2 2 374.485 0.393 20 0 FCADLP Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC000431035566 489786774 /nfs/dbraw/zinc/78/67/74/489786774.db2.gz SUNYBXTYRLZVIC-INIZCTEOSA-N 2 2 362.478 0.448 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570986849 491278726 /nfs/dbraw/zinc/27/87/26/491278726.db2.gz PUTGTMWNSXOAIB-AYDFFVQHSA-N 2 2 360.458 0.505 20 0 FCADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570986849 491278728 /nfs/dbraw/zinc/27/87/28/491278728.db2.gz PUTGTMWNSXOAIB-AYDFFVQHSA-N 2 2 360.458 0.505 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418915090 489789160 /nfs/dbraw/zinc/78/91/60/489789160.db2.gz UPAWOZNPLFRFPU-IUIKQTSFSA-N 2 2 368.428 0.798 20 0 FCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000418915090 489789164 /nfs/dbraw/zinc/78/91/64/489789164.db2.gz UPAWOZNPLFRFPU-IUIKQTSFSA-N 2 2 368.428 0.798 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000418916438 489790225 /nfs/dbraw/zinc/79/02/25/489790225.db2.gz RSYVMXDOTUJJKU-HOTGVXAUSA-N 2 2 374.485 0.344 20 0 FCADLP CC1CC[NH+](CC(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000474945098 489795127 /nfs/dbraw/zinc/79/51/27/489795127.db2.gz JRPJWMSXRZVJDL-INIZCTEOSA-N 2 2 359.536 0.686 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418936440 489796131 /nfs/dbraw/zinc/79/61/31/489796131.db2.gz DXLCKDMXZJTFJM-CQSZACIVSA-N 2 2 350.488 0.433 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418936440 489796135 /nfs/dbraw/zinc/79/61/35/489796135.db2.gz DXLCKDMXZJTFJM-CQSZACIVSA-N 2 2 350.488 0.433 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000418940303 489797222 /nfs/dbraw/zinc/79/72/22/489797222.db2.gz ITNDXWSONBKDAR-JSGCOSHPSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000418940303 489797226 /nfs/dbraw/zinc/79/72/26/489797226.db2.gz ITNDXWSONBKDAR-JSGCOSHPSA-N 2 2 350.488 0.418 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@@H]1C[NH3+] ZINC000418940387 489797660 /nfs/dbraw/zinc/79/76/60/489797660.db2.gz JAEMYWIWTGBQHZ-ZFWWWQNUSA-N 2 2 364.515 0.666 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@@H]1C[NH3+] ZINC000418940387 489797663 /nfs/dbraw/zinc/79/76/63/489797663.db2.gz JAEMYWIWTGBQHZ-ZFWWWQNUSA-N 2 2 364.515 0.666 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3COC[C@H]3OC)CC2)CC1 ZINC000563954763 491279392 /nfs/dbraw/zinc/27/93/92/491279392.db2.gz QGBNDCWABVOOGS-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3COC[C@H]3OC)CC2)CC1 ZINC000563954763 491279394 /nfs/dbraw/zinc/27/93/94/491279394.db2.gz QGBNDCWABVOOGS-IAGOWNOFSA-N 2 2 354.495 0.602 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000418943129 489798721 /nfs/dbraw/zinc/79/87/21/489798721.db2.gz MIWAATRBMIOIRK-UONOGXRCSA-N 2 2 364.515 0.727 20 0 FCADLP C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000418943129 489798723 /nfs/dbraw/zinc/79/87/23/489798723.db2.gz MIWAATRBMIOIRK-UONOGXRCSA-N 2 2 364.515 0.727 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H]1Cc1ccccc1 ZINC000459931283 489798827 /nfs/dbraw/zinc/79/88/27/489798827.db2.gz IJJDVAUKAHIFTB-IBGZPJMESA-N 2 2 370.497 0.678 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H]1Cc1ccccc1 ZINC000459931283 489798831 /nfs/dbraw/zinc/79/88/31/489798831.db2.gz IJJDVAUKAHIFTB-IBGZPJMESA-N 2 2 370.497 0.678 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000563954659 491279468 /nfs/dbraw/zinc/27/94/68/491279468.db2.gz NVXQIFFRIOMISU-UHFFFAOYSA-N 2 2 359.430 0.842 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000418945616 489799512 /nfs/dbraw/zinc/79/95/12/489799512.db2.gz QBCDLXDBRLEDDH-AWEZNQCLSA-N 2 2 364.515 0.728 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000418945616 489799516 /nfs/dbraw/zinc/79/95/16/489799516.db2.gz QBCDLXDBRLEDDH-AWEZNQCLSA-N 2 2 364.515 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)[C@H](C)C[NH2+]1 ZINC000418950578 489801521 /nfs/dbraw/zinc/80/15/21/489801521.db2.gz WFSUTOZEEBENOR-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)[C@H](C)C[NH2+]1 ZINC000418950578 489801527 /nfs/dbraw/zinc/80/15/27/489801527.db2.gz WFSUTOZEEBENOR-CHWSQXEVSA-N 2 2 350.488 0.431 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000459985447 489809278 /nfs/dbraw/zinc/80/92/78/489809278.db2.gz DMIWFMARXGTCKO-JKSUJKDBSA-N 2 2 352.523 0.975 20 0 FCADLP C[C@H]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000459985447 489809280 /nfs/dbraw/zinc/80/92/80/489809280.db2.gz DMIWFMARXGTCKO-JKSUJKDBSA-N 2 2 352.523 0.975 20 0 FCADLP O=C(C(=O)N1CC[NH+](Cc2ccsc2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000571024114 491280667 /nfs/dbraw/zinc/28/06/67/491280667.db2.gz URGJINKALMBLFH-QGZVFWFLSA-N 2 2 374.510 0.865 20 0 FCADLP C[NH+](C)C1(CNc2nc(NCC3([NH+](C)C)CC3)c3c([nH+]2)CCS3)CC1 ZINC000419005136 489815080 /nfs/dbraw/zinc/81/50/80/489815080.db2.gz FSWRMZUOEBLITJ-UHFFFAOYSA-N 3 2 362.547 0.981 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460005925 489815897 /nfs/dbraw/zinc/81/58/97/489815897.db2.gz WFRBUTASFNQMCR-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460005925 489815902 /nfs/dbraw/zinc/81/59/02/489815902.db2.gz WFRBUTASFNQMCR-GOSISDBHSA-N 2 2 358.486 0.883 20 0 FCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419007531 489815964 /nfs/dbraw/zinc/81/59/64/489815964.db2.gz YFAVFHUXRFYRSE-LJQANCHMSA-N 2 2 357.458 0.967 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000376919650 489817727 /nfs/dbraw/zinc/81/77/27/489817727.db2.gz OULISQNUVXHFGW-SJORKVTESA-N 2 2 354.495 0.602 20 0 FCADLP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000555898046 491281082 /nfs/dbraw/zinc/28/10/82/491281082.db2.gz DBGPNGBYTSHFJG-KRWDZBQOSA-N 2 2 368.522 0.404 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000419023106 489821891 /nfs/dbraw/zinc/82/18/91/489821891.db2.gz JCTJAUBUQVCUCE-CQSZACIVSA-N 2 2 359.405 0.838 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000419025215 489822780 /nfs/dbraw/zinc/82/27/80/489822780.db2.gz YQTDZXAAJPWEQS-UONOGXRCSA-N 2 2 361.833 0.839 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000460039419 489828458 /nfs/dbraw/zinc/82/84/58/489828458.db2.gz XTDHRAPJLPDNFR-UHFFFAOYSA-N 2 2 368.522 0.357 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000555906213 491281583 /nfs/dbraw/zinc/28/15/83/491281583.db2.gz HAYJHKKTPUCOHC-QGZVFWFLSA-N 2 2 368.522 0.404 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C[NH3+] ZINC000419043773 489832113 /nfs/dbraw/zinc/83/21/13/489832113.db2.gz RRAPJQBLXJMZPY-ZBFHGGJFSA-N 2 2 355.442 0.932 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000555909044 491281958 /nfs/dbraw/zinc/28/19/58/491281958.db2.gz NIIVUTQVMTYWMP-INIZCTEOSA-N 2 2 354.495 0.014 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492849142 489837837 /nfs/dbraw/zinc/83/78/37/489837837.db2.gz ADQAIVABHJVYEP-INIZCTEOSA-N 2 2 350.511 0.933 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492849142 489837842 /nfs/dbraw/zinc/83/78/42/489837842.db2.gz ADQAIVABHJVYEP-INIZCTEOSA-N 2 2 350.511 0.933 20 0 FCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419060204 489839213 /nfs/dbraw/zinc/83/92/13/489839213.db2.gz DXFFZEHQTXVDCO-BZUAXINKSA-N 2 2 368.522 0.591 20 0 FCADLP O=C(C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460077427 489844450 /nfs/dbraw/zinc/84/44/50/489844450.db2.gz PWAVXJZMMCYARJ-INIZCTEOSA-N 2 2 374.489 0.141 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000419069683 489844775 /nfs/dbraw/zinc/84/47/75/489844775.db2.gz GHUOEISQPKROQC-LSDHHAIUSA-N 2 2 359.405 0.715 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000460077147 489845092 /nfs/dbraw/zinc/84/50/92/489845092.db2.gz LJRRJNBKTJEHET-IRXDYDNUSA-N 2 2 373.501 0.898 20 0 FCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000460077147 489845094 /nfs/dbraw/zinc/84/50/94/489845094.db2.gz LJRRJNBKTJEHET-IRXDYDNUSA-N 2 2 373.501 0.898 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000555910447 491282663 /nfs/dbraw/zinc/28/26/63/491282663.db2.gz ZKVHYPJGSILKPQ-BRWVUGGUSA-N 2 2 368.522 0.258 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000460082162 489846947 /nfs/dbraw/zinc/84/69/47/489846947.db2.gz UHCWIDYYGUXTGQ-INIZCTEOSA-N 2 2 359.474 0.875 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000460082162 489846951 /nfs/dbraw/zinc/84/69/51/489846951.db2.gz UHCWIDYYGUXTGQ-INIZCTEOSA-N 2 2 359.474 0.875 20 0 FCADLP C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000493607284 489852275 /nfs/dbraw/zinc/85/22/75/489852275.db2.gz VWDSSJUJJYQTJI-CALCHBBNSA-N 2 2 372.513 0.948 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3cn4ccccc4[nH+]3)C[C@@H]21 ZINC000419106142 489857004 /nfs/dbraw/zinc/85/70/04/489857004.db2.gz COBDKMJOXSVLRY-VNQPRFMTSA-N 2 2 355.442 0.579 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419112424 489859632 /nfs/dbraw/zinc/85/96/32/489859632.db2.gz FLVYACQYJGDYCC-GVDBMIGSSA-N 2 2 368.522 0.578 20 0 FCADLP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1 ZINC000419112475 489860184 /nfs/dbraw/zinc/86/01/84/489860184.db2.gz FVOZCYLDTZSJKZ-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000419117600 489862631 /nfs/dbraw/zinc/86/26/31/489862631.db2.gz MJBUIHDXPHJELJ-BZUAXINKSA-N 2 2 354.495 0.106 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000419118574 489863166 /nfs/dbraw/zinc/86/31/66/489863166.db2.gz ODJGWNRSOHPLQJ-CVEARBPZSA-N 2 2 368.522 0.354 20 0 FCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419118910 489863760 /nfs/dbraw/zinc/86/37/60/489863760.db2.gz OIQGMMONLBUCNE-SJORKVTESA-N 2 2 371.485 0.756 20 0 FCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000419119802 489864142 /nfs/dbraw/zinc/86/41/42/489864142.db2.gz PGAGPNLWRZQYFC-CVEARBPZSA-N 2 2 354.495 0.060 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419121080 489865032 /nfs/dbraw/zinc/86/50/32/489865032.db2.gz ROUDFVYKFKMHGZ-IXDOHACOSA-N 2 2 368.522 0.293 20 0 FCADLP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCSC1 ZINC000460471168 489866969 /nfs/dbraw/zinc/86/69/69/489866969.db2.gz UAZWFWOTUCWRND-DOTOQJQBSA-N 2 2 356.536 0.930 20 0 FCADLP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419123373 489867052 /nfs/dbraw/zinc/86/70/52/489867052.db2.gz VSXRZTORYKHKRJ-SJORKVTESA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419123371 489867418 /nfs/dbraw/zinc/86/74/18/489867418.db2.gz VSXRZTORYKHKRJ-IRXDYDNUSA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419123368 489867457 /nfs/dbraw/zinc/86/74/57/489867457.db2.gz VSXRZTORYKHKRJ-DLBZAZTESA-N 2 2 368.522 0.483 20 0 FCADLP CC(C)C[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419124821 489867741 /nfs/dbraw/zinc/86/77/41/489867741.db2.gz YDKGKJYPNKFGFG-RDJZCZTQSA-N 2 2 368.522 0.435 20 0 FCADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000433141025 489867768 /nfs/dbraw/zinc/86/77/68/489867768.db2.gz LNBXXFRIRKLDPG-UHFFFAOYSA-N 3 2 361.490 0.738 20 0 FCADLP CCCN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000419124147 489868361 /nfs/dbraw/zinc/86/83/61/489868361.db2.gz WZXNSRPKOJONDL-MRXNPFEDSA-N 2 2 359.474 0.899 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000419125044 489868648 /nfs/dbraw/zinc/86/86/48/489868648.db2.gz YSBNVVDFCISOCP-UHFFFAOYSA-N 2 2 359.474 0.946 20 0 FCADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000494176477 489873491 /nfs/dbraw/zinc/87/34/91/489873491.db2.gz PPAZWXGQZBDFDE-UHFFFAOYSA-N 2 2 361.450 0.966 20 0 FCADLP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000433316146 489876440 /nfs/dbraw/zinc/87/64/40/489876440.db2.gz DSBQCCLJOYSDSG-IKGGRYGDSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000433316146 489876444 /nfs/dbraw/zinc/87/64/44/489876444.db2.gz DSBQCCLJOYSDSG-IKGGRYGDSA-N 2 2 356.511 0.896 20 0 FCADLP C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000494234675 489877056 /nfs/dbraw/zinc/87/70/56/489877056.db2.gz QTCBMZPXRAVABP-ACJLOTCBSA-N 2 2 373.461 0.169 20 0 FCADLP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000433382468 489880827 /nfs/dbraw/zinc/88/08/27/489880827.db2.gz OJZLDQMKLXPEAL-CVEARBPZSA-N 2 2 362.478 0.530 20 0 FCADLP COCC(C)(C)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494364576 489885857 /nfs/dbraw/zinc/88/58/57/489885857.db2.gz FAHSWJLSXNQFTB-UHFFFAOYSA-N 2 2 370.519 0.796 20 0 FCADLP CNC(=O)Cc1noc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000494562814 489896163 /nfs/dbraw/zinc/89/61/63/489896163.db2.gz HKDXMHIXESICAL-UHFFFAOYSA-N 2 2 351.451 0.292 20 0 FCADLP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000420056117 489897047 /nfs/dbraw/zinc/89/70/47/489897047.db2.gz MJQVFCUAWDBQEY-UHFFFAOYSA-N 2 2 350.438 0.714 20 0 FCADLP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000420056117 489897048 /nfs/dbraw/zinc/89/70/48/489897048.db2.gz MJQVFCUAWDBQEY-UHFFFAOYSA-N 2 2 350.438 0.714 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+](C)C ZINC000476561666 489900432 /nfs/dbraw/zinc/90/04/32/489900432.db2.gz HGDHGXKBJKHKIY-RDJZCZTQSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C ZINC000476561666 489900435 /nfs/dbraw/zinc/90/04/35/489900435.db2.gz HGDHGXKBJKHKIY-RDJZCZTQSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000476561666 489900438 /nfs/dbraw/zinc/90/04/38/489900438.db2.gz HGDHGXKBJKHKIY-RDJZCZTQSA-N 2 2 363.506 0.843 20 0 FCADLP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000476561666 489900442 /nfs/dbraw/zinc/90/04/42/489900442.db2.gz HGDHGXKBJKHKIY-RDJZCZTQSA-N 2 2 363.506 0.843 20 0 FCADLP O=C(CC[C@H]1CCC[NH2+]1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494646706 489901692 /nfs/dbraw/zinc/90/16/92/489901692.db2.gz KCOYTHZXGIVQEL-MRXNPFEDSA-N 2 2 359.474 0.769 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420070069 489902363 /nfs/dbraw/zinc/90/23/63/489902363.db2.gz IYSFHIODPXLGHO-INIZCTEOSA-N 2 2 354.495 0.189 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000433934835 489905625 /nfs/dbraw/zinc/90/56/25/489905625.db2.gz QXEJRAKEQHODHI-SFHVURJKSA-N 2 2 369.554 0.766 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000433934835 489905627 /nfs/dbraw/zinc/90/56/27/489905627.db2.gz QXEJRAKEQHODHI-SFHVURJKSA-N 2 2 369.554 0.766 20 0 FCADLP CCN1CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000420086880 489907146 /nfs/dbraw/zinc/90/71/46/489907146.db2.gz ZQFCEHURVQVCBH-ZDUSSCGKSA-N 2 2 350.467 0.249 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000420086401 489907511 /nfs/dbraw/zinc/90/75/11/489907511.db2.gz DBMWFOVLJNNEHW-UHFFFAOYSA-N 2 2 362.449 0.858 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000420086401 489907517 /nfs/dbraw/zinc/90/75/17/489907517.db2.gz DBMWFOVLJNNEHW-UHFFFAOYSA-N 2 2 362.449 0.858 20 0 FCADLP C[C@](O)(CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000434078907 489911754 /nfs/dbraw/zinc/91/17/54/489911754.db2.gz MHHQCRQWRIYTAV-INIZCTEOSA-N 2 2 353.492 0.525 20 0 FCADLP C[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1nncn1C ZINC000494784022 489912579 /nfs/dbraw/zinc/91/25/79/489912579.db2.gz UVIFZMVDYKQTMY-HNNXBMFYSA-N 2 2 372.473 0.614 20 0 FCADLP C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1nncn1C ZINC000494784023 489912787 /nfs/dbraw/zinc/91/27/87/489912787.db2.gz UVIFZMVDYKQTMY-OAHLLOKOSA-N 2 2 372.473 0.614 20 0 FCADLP CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000564071928 491286768 /nfs/dbraw/zinc/28/67/68/491286768.db2.gz IGIIIGOOYVRTMH-QGZVFWFLSA-N 2 2 366.506 0.348 20 0 FCADLP CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000564071928 491286770 /nfs/dbraw/zinc/28/67/70/491286770.db2.gz IGIIIGOOYVRTMH-QGZVFWFLSA-N 2 2 366.506 0.348 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420110272 489915385 /nfs/dbraw/zinc/91/53/85/489915385.db2.gz FGBTZXKTPUFPIQ-RYRKJORJSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420110272 489915386 /nfs/dbraw/zinc/91/53/86/489915386.db2.gz FGBTZXKTPUFPIQ-RYRKJORJSA-N 2 2 358.486 0.834 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420121972 489920208 /nfs/dbraw/zinc/92/02/08/489920208.db2.gz NHYUBYJREGPNSZ-MRXNPFEDSA-N 2 2 373.501 0.793 20 0 FCADLP C[C@H]1C[N@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)CCCO1 ZINC000434332234 489922118 /nfs/dbraw/zinc/92/21/18/489922118.db2.gz ABDQPVRCMZXZRY-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP C[C@H]1C[N@@H+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)CCCO1 ZINC000434332234 489922122 /nfs/dbraw/zinc/92/21/22/489922122.db2.gz ABDQPVRCMZXZRY-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420129549 489922397 /nfs/dbraw/zinc/92/23/97/489922397.db2.gz VTONQKAHJOFEIX-UHFFFAOYSA-N 2 2 354.495 0.062 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434349322 489923481 /nfs/dbraw/zinc/92/34/81/489923481.db2.gz HIAUGPDJHLCWKV-DLBZAZTESA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434349322 489923484 /nfs/dbraw/zinc/92/34/84/489923484.db2.gz HIAUGPDJHLCWKV-DLBZAZTESA-N 2 2 354.495 0.338 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434391201 489925661 /nfs/dbraw/zinc/92/56/61/489925661.db2.gz POBKTRDIRDXYNF-ZWKOTPCHSA-N 2 2 369.554 0.622 20 0 FCADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434391200 489925885 /nfs/dbraw/zinc/92/58/85/489925885.db2.gz POBKTRDIRDXYNF-ROUUACIJSA-N 2 2 369.554 0.622 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)CC2)cc1 ZINC000377586557 489926021 /nfs/dbraw/zinc/92/60/21/489926021.db2.gz UQSLEOXKUZCXTQ-KRWDZBQOSA-N 2 2 374.485 0.537 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CC(N)=O)C3)CC2)cc1 ZINC000377586557 489926023 /nfs/dbraw/zinc/92/60/23/489926023.db2.gz UQSLEOXKUZCXTQ-KRWDZBQOSA-N 2 2 374.485 0.537 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434457617 489929296 /nfs/dbraw/zinc/92/92/96/489929296.db2.gz YHSVZFJZJHUILR-MRXNPFEDSA-N 2 2 354.495 0.243 20 0 FCADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000420149925 489932333 /nfs/dbraw/zinc/93/23/33/489932333.db2.gz JDXWDMFHZGTIRD-UHFFFAOYSA-N 2 2 369.416 0.636 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638396 489936489 /nfs/dbraw/zinc/93/64/89/489936489.db2.gz ZJUIXDWEFOBXCF-UKRRQHHQSA-N 2 2 366.535 0.923 20 0 FCADLP C[C@@H](Sc1nncn1C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638396 489936490 /nfs/dbraw/zinc/93/64/90/489936490.db2.gz ZJUIXDWEFOBXCF-UKRRQHHQSA-N 2 2 366.535 0.923 20 0 FCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000420168041 489938230 /nfs/dbraw/zinc/93/82/30/489938230.db2.gz PWVNBMICAPODLC-HZPDHXFCSA-N 2 2 360.458 0.956 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477100871 489942585 /nfs/dbraw/zinc/94/25/85/489942585.db2.gz PIAMKZNZPJSPNX-HRCADAONSA-N 2 2 356.511 0.401 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477100871 489942589 /nfs/dbraw/zinc/94/25/89/489942589.db2.gz PIAMKZNZPJSPNX-HRCADAONSA-N 2 2 356.511 0.401 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420183188 489943084 /nfs/dbraw/zinc/94/30/84/489943084.db2.gz GFJINOADANMSEA-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420183188 489943087 /nfs/dbraw/zinc/94/30/87/489943087.db2.gz GFJINOADANMSEA-AEFFLSMTSA-N 2 2 374.485 0.214 20 0 FCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420192786 489947871 /nfs/dbraw/zinc/94/78/71/489947871.db2.gz IBWCKLKQULNMEP-UKRRQHHQSA-N 2 2 366.487 0.058 20 0 FCADLP COCCOCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564155667 491291367 /nfs/dbraw/zinc/29/13/67/491291367.db2.gz DYSUDZXGEFTBEF-MRXNPFEDSA-N 2 2 350.463 0.714 20 0 FCADLP COCCOCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564155667 491291368 /nfs/dbraw/zinc/29/13/68/491291368.db2.gz DYSUDZXGEFTBEF-MRXNPFEDSA-N 2 2 350.463 0.714 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000477377632 489961348 /nfs/dbraw/zinc/96/13/48/489961348.db2.gz XECBANBCWSEILR-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000477377632 489961350 /nfs/dbraw/zinc/96/13/50/489961350.db2.gz XECBANBCWSEILR-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000434844224 489961497 /nfs/dbraw/zinc/96/14/97/489961497.db2.gz ZMOMBPOUBPJKBR-UHFFFAOYSA-N 2 2 354.373 0.153 20 0 FCADLP C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000434844224 489961501 /nfs/dbraw/zinc/96/15/01/489961501.db2.gz ZMOMBPOUBPJKBR-UHFFFAOYSA-N 2 2 354.373 0.153 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000420300724 489961641 /nfs/dbraw/zinc/96/16/41/489961641.db2.gz DBRDAVDHPSJBBF-YNEHKIRRSA-N 2 2 355.446 0.797 20 0 FCADLP COc1ccccc1Nc1nc(N)nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000420300724 489961644 /nfs/dbraw/zinc/96/16/44/489961644.db2.gz DBRDAVDHPSJBBF-YNEHKIRRSA-N 2 2 355.446 0.797 20 0 FCADLP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420299358 489961781 /nfs/dbraw/zinc/96/17/81/489961781.db2.gz AWWORZOZTGMZTK-HNNXBMFYSA-N 2 2 361.442 0.748 20 0 FCADLP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420299358 489961783 /nfs/dbraw/zinc/96/17/83/489961783.db2.gz AWWORZOZTGMZTK-HNNXBMFYSA-N 2 2 361.442 0.748 20 0 FCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000420316985 489962251 /nfs/dbraw/zinc/96/22/51/489962251.db2.gz TYJFILULEWDLJG-IYBDPMFKSA-N 2 2 357.458 0.514 20 0 FCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000420316985 489962255 /nfs/dbraw/zinc/96/22/55/489962255.db2.gz TYJFILULEWDLJG-IYBDPMFKSA-N 2 2 357.458 0.514 20 0 FCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000462185275 489962339 /nfs/dbraw/zinc/96/23/39/489962339.db2.gz HRTTVGBVXALEAS-AWEZNQCLSA-N 2 2 364.446 0.980 20 0 FCADLP CCCCn1c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312607 489962909 /nfs/dbraw/zinc/96/29/09/489962909.db2.gz SRHJWCBEXTUPKP-RWMBFGLXSA-N 2 2 360.462 0.805 20 0 FCADLP CCCCn1c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000420312607 489962912 /nfs/dbraw/zinc/96/29/12/489962912.db2.gz SRHJWCBEXTUPKP-RWMBFGLXSA-N 2 2 360.462 0.805 20 0 FCADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346452 489965740 /nfs/dbraw/zinc/96/57/40/489965740.db2.gz CWCKLINUTTZBET-MRXNPFEDSA-N 2 2 360.458 0.700 20 0 FCADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346452 489965743 /nfs/dbraw/zinc/96/57/43/489965743.db2.gz CWCKLINUTTZBET-MRXNPFEDSA-N 2 2 360.458 0.700 20 0 FCADLP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000420351983 489966458 /nfs/dbraw/zinc/96/64/58/489966458.db2.gz LLBFLBCREPRVJB-CZUORRHYSA-N 2 2 351.447 0.619 20 0 FCADLP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000420351983 489966461 /nfs/dbraw/zinc/96/64/61/489966461.db2.gz LLBFLBCREPRVJB-CZUORRHYSA-N 2 2 351.447 0.619 20 0 FCADLP Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361574 489967599 /nfs/dbraw/zinc/96/75/99/489967599.db2.gz YLQPLLMQNNJTHE-QGZVFWFLSA-N 2 2 359.474 0.416 20 0 FCADLP Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361574 489967603 /nfs/dbraw/zinc/96/76/03/489967603.db2.gz YLQPLLMQNNJTHE-QGZVFWFLSA-N 2 2 359.474 0.416 20 0 FCADLP CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CC1 ZINC000420361267 489967736 /nfs/dbraw/zinc/96/77/36/489967736.db2.gz MAERBPCAUSMWHB-CQSZACIVSA-N 2 2 355.527 0.008 20 0 FCADLP COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420362233 489967836 /nfs/dbraw/zinc/96/78/36/489967836.db2.gz IOSVGWNNNRLTKA-BIENJYKASA-N 2 2 362.474 0.880 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420368486 489968802 /nfs/dbraw/zinc/96/88/02/489968802.db2.gz ATXPTXCJRVYQOK-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420368486 489968804 /nfs/dbraw/zinc/96/88/04/489968804.db2.gz ATXPTXCJRVYQOK-FRRDWIJNSA-N 2 2 354.476 0.578 20 0 FCADLP C[N@H+](CC[NH3+])CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000420373828 489968855 /nfs/dbraw/zinc/96/88/55/489968855.db2.gz GSTRNLFLAMTJFN-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP C[N@@H+](CC[NH3+])CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000420373828 489968856 /nfs/dbraw/zinc/96/88/56/489968856.db2.gz GSTRNLFLAMTJFN-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373808 489968968 /nfs/dbraw/zinc/96/89/68/489968968.db2.gz NGWMVYBKGMRXKS-MJGOQNOKSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373808 489968971 /nfs/dbraw/zinc/96/89/71/489968971.db2.gz NGWMVYBKGMRXKS-MJGOQNOKSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373808 489968973 /nfs/dbraw/zinc/96/89/73/489968973.db2.gz NGWMVYBKGMRXKS-MJGOQNOKSA-N 3 2 352.523 0.535 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000420373808 489968975 /nfs/dbraw/zinc/96/89/75/489968975.db2.gz NGWMVYBKGMRXKS-MJGOQNOKSA-N 3 2 352.523 0.535 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000420373299 489968991 /nfs/dbraw/zinc/96/89/91/489968991.db2.gz GAEANMIKSNDTRC-RYQLBKOJSA-N 3 2 352.523 0.757 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000420392352 489971945 /nfs/dbraw/zinc/97/19/45/489971945.db2.gz PJSDUKOERWEDNN-RYQLBKOJSA-N 3 2 352.523 0.757 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462392657 489973185 /nfs/dbraw/zinc/97/31/85/489973185.db2.gz GCUSUKYIILMIIC-MLGOLLRUSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462392657 489973187 /nfs/dbraw/zinc/97/31/87/489973187.db2.gz GCUSUKYIILMIIC-MLGOLLRUSA-N 2 2 352.460 0.346 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000556079557 491292520 /nfs/dbraw/zinc/29/25/20/491292520.db2.gz RWRDPGBJNHBFGW-LSDHHAIUSA-N 2 2 356.511 0.306 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC000556082330 491292659 /nfs/dbraw/zinc/29/26/59/491292659.db2.gz DUPHHQSBVHUGRE-SFHVURJKSA-N 2 2 368.522 0.992 20 0 FCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477660732 489982899 /nfs/dbraw/zinc/98/28/99/489982899.db2.gz LJPFAMVMFOLRRW-CVEARBPZSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000556084760 491293317 /nfs/dbraw/zinc/29/33/17/491293317.db2.gz LYQWBIIYJIYVNQ-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000556084760 491293318 /nfs/dbraw/zinc/29/33/18/491293318.db2.gz LYQWBIIYJIYVNQ-DLBZAZTESA-N 2 2 368.522 0.308 20 0 FCADLP C[C@H]1CCC[C@](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000477935910 489997467 /nfs/dbraw/zinc/99/74/67/489997467.db2.gz JSYTZZQHEFJOTR-KXBFYZLASA-N 2 2 350.507 0.920 20 0 FCADLP O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000571150422 491288881 /nfs/dbraw/zinc/28/88/81/491288881.db2.gz GZKOPVXWLYZJDQ-JKSUJKDBSA-N 2 2 352.479 0.004 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCN1CCCOCC1 ZINC000463202358 490004829 /nfs/dbraw/zinc/00/48/29/490004829.db2.gz YHRPXBZZZCQYEX-IRXDYDNUSA-N 2 2 353.486 0.987 20 0 FCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCN1CCCOCC1 ZINC000463202358 490004832 /nfs/dbraw/zinc/00/48/32/490004832.db2.gz YHRPXBZZZCQYEX-IRXDYDNUSA-N 2 2 353.486 0.987 20 0 FCADLP C[C@@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1Cc1ccccc1 ZINC000564208197 491294146 /nfs/dbraw/zinc/29/41/46/491294146.db2.gz ZKZUNNDIISTVCJ-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1Cc1ccccc1 ZINC000564208197 491294147 /nfs/dbraw/zinc/29/41/47/491294147.db2.gz ZKZUNNDIISTVCJ-AEFFLSMTSA-N 2 2 358.486 0.835 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438322847 490033759 /nfs/dbraw/zinc/03/37/59/490033759.db2.gz VBKCTPURLQWSOW-MRXNPFEDSA-N 2 2 364.494 1.211 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378318102 490047396 /nfs/dbraw/zinc/04/73/96/490047396.db2.gz YKWDYGJJKUJEKW-IBGZPJMESA-N 2 2 358.486 0.525 20 0 FCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378318102 490047400 /nfs/dbraw/zinc/04/74/00/490047400.db2.gz YKWDYGJJKUJEKW-IBGZPJMESA-N 2 2 358.486 0.525 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000464769785 490067064 /nfs/dbraw/zinc/06/70/64/490067064.db2.gz AGEYPPZIHYALJS-HNNXBMFYSA-N 2 2 362.540 0.048 20 0 FCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000464769785 490067066 /nfs/dbraw/zinc/06/70/66/490067066.db2.gz AGEYPPZIHYALJS-HNNXBMFYSA-N 2 2 362.540 0.048 20 0 FCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)[C@H]2C1 ZINC000378502299 490073932 /nfs/dbraw/zinc/07/39/32/490073932.db2.gz VXVNNVYQIHGUHU-SOLBZPMBSA-N 2 2 368.547 0.930 20 0 FCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)[C@H]2C1 ZINC000378502299 490073937 /nfs/dbraw/zinc/07/39/37/490073937.db2.gz VXVNNVYQIHGUHU-SOLBZPMBSA-N 2 2 368.547 0.930 20 0 FCADLP [NH3+]C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000479207444 490074072 /nfs/dbraw/zinc/07/40/72/490074072.db2.gz PVFXINIHRNUTRZ-KRWDZBQOSA-N 2 2 372.448 0.596 20 0 FCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C[C@@H]1[NH+](C)C ZINC000465181484 490091330 /nfs/dbraw/zinc/09/13/30/490091330.db2.gz DOLDFISBVDJMKR-WBVHZDCISA-N 2 2 365.522 0.522 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000519819946 490091425 /nfs/dbraw/zinc/09/14/25/490091425.db2.gz BTCMBSMIYDIVCH-BARDWOONSA-N 2 2 374.428 0.764 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000519819946 490091429 /nfs/dbraw/zinc/09/14/29/490091429.db2.gz BTCMBSMIYDIVCH-BARDWOONSA-N 2 2 374.428 0.764 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000495757916 490091971 /nfs/dbraw/zinc/09/19/71/490091971.db2.gz QUNOEHDKCRBWCX-BZUAXINKSA-N 2 2 359.474 0.610 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000495757916 490091976 /nfs/dbraw/zinc/09/19/76/490091976.db2.gz QUNOEHDKCRBWCX-BZUAXINKSA-N 2 2 359.474 0.610 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000519832568 490094844 /nfs/dbraw/zinc/09/48/44/490094844.db2.gz IWCWJYPBXPUKIS-DOTOQJQBSA-N 2 2 360.458 0.334 20 0 FCADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000519832568 490094848 /nfs/dbraw/zinc/09/48/48/490094848.db2.gz IWCWJYPBXPUKIS-DOTOQJQBSA-N 2 2 360.458 0.334 20 0 FCADLP CC(C)[NH+](CCCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000519859711 490099920 /nfs/dbraw/zinc/09/99/20/490099920.db2.gz MUJYKDCHJBMVNE-QGZVFWFLSA-N 2 2 370.538 0.791 20 0 FCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000520204696 490117204 /nfs/dbraw/zinc/11/72/04/490117204.db2.gz CJQXTOFEASZXJO-HWWDLCQESA-N 2 2 358.442 0.503 20 0 FCADLP NC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000520233642 490120244 /nfs/dbraw/zinc/12/02/44/490120244.db2.gz FPQLDCQPFQKHBT-RDJZCZTQSA-N 2 2 355.442 0.525 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479781997 490125313 /nfs/dbraw/zinc/12/53/13/490125313.db2.gz ODCZUFTWBBMLCE-OKILXGFUSA-N 2 2 350.488 0.364 20 0 FCADLP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479781997 490125326 /nfs/dbraw/zinc/12/53/26/490125326.db2.gz ODCZUFTWBBMLCE-OKILXGFUSA-N 2 2 350.488 0.364 20 0 FCADLP CCN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028199 490128039 /nfs/dbraw/zinc/12/80/39/490128039.db2.gz XLPQICJFJVZXOI-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP CCN1CCOC[C@@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028199 490128044 /nfs/dbraw/zinc/12/80/44/490128044.db2.gz XLPQICJFJVZXOI-GOSISDBHSA-N 2 2 352.523 0.726 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000545408505 490132472 /nfs/dbraw/zinc/13/24/72/490132472.db2.gz DCFYJRQUMVQWOK-IAGOWNOFSA-N 2 2 356.511 0.848 20 0 FCADLP CCO[C@@H]1COCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545408505 490132479 /nfs/dbraw/zinc/13/24/79/490132479.db2.gz DCFYJRQUMVQWOK-IAGOWNOFSA-N 2 2 356.511 0.848 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390756398 490136957 /nfs/dbraw/zinc/13/69/57/490136957.db2.gz WHPHCTSUQZMHCG-HZPDHXFCSA-N 2 2 353.488 0.529 20 0 FCADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390756398 490136965 /nfs/dbraw/zinc/13/69/65/490136965.db2.gz WHPHCTSUQZMHCG-HZPDHXFCSA-N 2 2 353.488 0.529 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000520427841 490148014 /nfs/dbraw/zinc/14/80/14/490148014.db2.gz BZOIIHYPBICIRP-MZMPZRCHSA-N 2 2 360.462 0.525 20 0 FCADLP C[NH+]1CCN(c2cc(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)ccn2)CC1 ZINC000545812924 490155247 /nfs/dbraw/zinc/15/52/47/490155247.db2.gz FRLXNAMAROBAQO-OAHLLOKOSA-N 2 2 355.446 0.556 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000466036237 490161006 /nfs/dbraw/zinc/16/10/06/490161006.db2.gz OODPGOYMKCLPJA-HOTGVXAUSA-N 2 2 353.511 0.665 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000466036237 490161012 /nfs/dbraw/zinc/16/10/12/490161012.db2.gz OODPGOYMKCLPJA-HOTGVXAUSA-N 2 2 353.511 0.665 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H](S(C)(=O)=O)C3)cn2)CC1 ZINC000446842524 490165971 /nfs/dbraw/zinc/16/59/71/490165971.db2.gz GKUZVUAZCPVUBV-MRXNPFEDSA-N 2 2 367.519 0.628 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H](S(C)(=O)=O)C3)cn2)CC1 ZINC000446842524 490165978 /nfs/dbraw/zinc/16/59/78/490165978.db2.gz GKUZVUAZCPVUBV-MRXNPFEDSA-N 2 2 367.519 0.628 20 0 FCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000497510384 490170278 /nfs/dbraw/zinc/17/02/78/490170278.db2.gz ZGRVUDBRCDFYAJ-OFQRWUPVSA-N 2 2 354.401 0.808 20 0 FCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000497510384 490170282 /nfs/dbraw/zinc/17/02/82/490170282.db2.gz ZGRVUDBRCDFYAJ-OFQRWUPVSA-N 2 2 354.401 0.808 20 0 FCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119007 490171982 /nfs/dbraw/zinc/17/19/82/490171982.db2.gz RRDGCYKPJMITGS-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119007 490171993 /nfs/dbraw/zinc/17/19/93/490171993.db2.gz RRDGCYKPJMITGS-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119007 490172001 /nfs/dbraw/zinc/17/20/01/490172001.db2.gz RRDGCYKPJMITGS-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000422119007 490172010 /nfs/dbraw/zinc/17/20/10/490172010.db2.gz RRDGCYKPJMITGS-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)CC1 ZINC000422123665 490175493 /nfs/dbraw/zinc/17/54/93/490175493.db2.gz YLNZORBWLIEKBV-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)CC1 ZINC000422123665 490175497 /nfs/dbraw/zinc/17/54/97/490175497.db2.gz YLNZORBWLIEKBV-UHFFFAOYSA-N 3 2 367.538 0.025 20 0 FCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000497570121 490177003 /nfs/dbraw/zinc/17/70/03/490177003.db2.gz ABSMNEIQAJABBM-IRXDYDNUSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC000497727495 490204320 /nfs/dbraw/zinc/20/43/20/490204320.db2.gz YBRPQMAFNQWZGH-BBRMVZONSA-N 2 2 353.488 0.311 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC000497727495 490204331 /nfs/dbraw/zinc/20/43/31/490204331.db2.gz YBRPQMAFNQWZGH-BBRMVZONSA-N 2 2 353.488 0.311 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000556273218 491307192 /nfs/dbraw/zinc/30/71/92/491307192.db2.gz MVYQLIGLQAADEC-UHFFFAOYSA-N 2 2 359.474 0.432 20 0 FCADLP CC(=O)[C@@H](NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(C)C ZINC000507369697 490205617 /nfs/dbraw/zinc/20/56/17/490205617.db2.gz UCENOGHXPILPNK-KRWDZBQOSA-N 2 2 354.495 0.106 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000546212320 490209148 /nfs/dbraw/zinc/20/91/48/490209148.db2.gz NNFLRUDUNHSJTH-MRXNPFEDSA-N 2 2 351.495 0.511 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000546212320 490209152 /nfs/dbraw/zinc/20/91/52/490209152.db2.gz NNFLRUDUNHSJTH-MRXNPFEDSA-N 2 2 351.495 0.511 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000520987704 490211695 /nfs/dbraw/zinc/21/16/95/490211695.db2.gz HDJYDYYMJBHKMH-DLBZAZTESA-N 2 2 355.527 0.014 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000466934804 490226959 /nfs/dbraw/zinc/22/69/59/490226959.db2.gz ZDFZVBUGTRMNNT-FUHWJXTLSA-N 2 2 373.501 0.895 20 0 FCADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000466934804 490226969 /nfs/dbraw/zinc/22/69/69/490226969.db2.gz ZDFZVBUGTRMNNT-FUHWJXTLSA-N 2 2 373.501 0.895 20 0 FCADLP COCC[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCOC1 ZINC000447399364 490230864 /nfs/dbraw/zinc/23/08/64/490230864.db2.gz XJFSMQAKCJEWPO-GOSISDBHSA-N 2 2 351.447 0.709 20 0 FCADLP C[NH+]1CCC(CNC(=O)c2cc(=O)n3[nH]cnc3n2)([NH+]2CCCCC2)CC1 ZINC000546790103 490245672 /nfs/dbraw/zinc/24/56/72/490245672.db2.gz GOVWMEYNLLEFNS-UHFFFAOYSA-N 2 2 373.461 0.098 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000498036274 490249635 /nfs/dbraw/zinc/24/96/35/490249635.db2.gz PLXJYYOWZITYAB-UHFFFAOYSA-N 2 2 350.507 0.827 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000498144571 490262259 /nfs/dbraw/zinc/26/22/59/490262259.db2.gz NPLYWKXIGPZZMQ-IAGOWNOFSA-N 2 2 373.501 0.776 20 0 FCADLP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000498206729 490270902 /nfs/dbraw/zinc/27/09/02/490270902.db2.gz MCGWXNZTLAPDPR-AWEZNQCLSA-N 2 2 370.400 0.670 20 0 FCADLP [NH3+][C@H](CC(F)F)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000498206424 490271032 /nfs/dbraw/zinc/27/10/32/490271032.db2.gz FOZHZTWSTMJLGH-OAHLLOKOSA-N 2 2 357.401 0.996 20 0 FCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000483019756 490273129 /nfs/dbraw/zinc/27/31/29/490273129.db2.gz SBKHRDDWSBBMQG-GOSISDBHSA-N 2 2 359.470 0.986 20 0 FCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000483019756 490273142 /nfs/dbraw/zinc/27/31/42/490273142.db2.gz SBKHRDDWSBBMQG-GOSISDBHSA-N 2 2 359.470 0.986 20 0 FCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813481 490285771 /nfs/dbraw/zinc/28/57/71/490285771.db2.gz NDSGOKQDFKIHKS-INIZCTEOSA-N 2 2 361.494 0.334 20 0 FCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000533813481 490285778 /nfs/dbraw/zinc/28/57/78/490285778.db2.gz NDSGOKQDFKIHKS-INIZCTEOSA-N 2 2 361.494 0.334 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571541214 491314578 /nfs/dbraw/zinc/31/45/78/491314578.db2.gz YWASZWFPGWVCFM-BQFCYCMXSA-N 2 2 374.485 0.212 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571541214 491314580 /nfs/dbraw/zinc/31/45/80/491314580.db2.gz YWASZWFPGWVCFM-BQFCYCMXSA-N 2 2 374.485 0.212 20 0 FCADLP COCC[N@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000547449223 490292942 /nfs/dbraw/zinc/29/29/42/490292942.db2.gz MDXBNPGQTUKDEO-UHFFFAOYSA-N 2 2 373.461 0.123 20 0 FCADLP COCC[N@@H+](CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000547449223 490292947 /nfs/dbraw/zinc/29/29/47/490292947.db2.gz MDXBNPGQTUKDEO-UHFFFAOYSA-N 2 2 373.461 0.123 20 0 FCADLP CSC[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000521800063 490298342 /nfs/dbraw/zinc/29/83/42/490298342.db2.gz FXQWUXSEHGDDHG-OAHLLOKOSA-N 2 2 370.563 0.682 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000467489244 490298537 /nfs/dbraw/zinc/29/85/37/490298537.db2.gz DANHRAXXGJSLHM-VXNCWWDNSA-N 2 2 371.522 0.320 20 0 FCADLP CC1(C)CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000521844224 490301431 /nfs/dbraw/zinc/30/14/31/490301431.db2.gz ROXSWWMLPOKFRO-UHFFFAOYSA-N 2 2 366.506 0.348 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841148 490301530 /nfs/dbraw/zinc/30/15/30/490301530.db2.gz WPYIHTBOAIQOCX-ZWKOTPCHSA-N 2 2 362.474 0.647 20 0 FCADLP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCO1 ZINC000521841148 490301531 /nfs/dbraw/zinc/30/15/31/490301531.db2.gz WPYIHTBOAIQOCX-ZWKOTPCHSA-N 2 2 362.474 0.647 20 0 FCADLP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000533980110 490307457 /nfs/dbraw/zinc/30/74/57/490307457.db2.gz DNEGSBKEPBSNHE-HZPDHXFCSA-N 2 2 367.538 0.959 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000483473649 490320213 /nfs/dbraw/zinc/32/02/13/490320213.db2.gz LYZAPCLGKIQWSL-HNNXBMFYSA-N 2 2 355.479 0.489 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000483473649 490320217 /nfs/dbraw/zinc/32/02/17/490320217.db2.gz LYZAPCLGKIQWSL-HNNXBMFYSA-N 2 2 355.479 0.489 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000534126525 490322487 /nfs/dbraw/zinc/32/24/87/490322487.db2.gz UBEFJQCGNOLSSL-IEBWSBKVSA-N 2 2 373.497 0.968 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H]1O ZINC000534126525 490322492 /nfs/dbraw/zinc/32/24/92/490322492.db2.gz UBEFJQCGNOLSSL-IEBWSBKVSA-N 2 2 373.497 0.968 20 0 FCADLP C[C@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1([NH+]2CCOCC2)CCCC1 ZINC000467690924 490330776 /nfs/dbraw/zinc/33/07/76/490330776.db2.gz KBTOTKPMUQOXNX-XYTVBORESA-N 2 2 363.502 0.951 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cncn2)nc1 ZINC000522190120 490351288 /nfs/dbraw/zinc/35/12/88/490351288.db2.gz RKEWKSXNJAGXJP-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cncn2)nc1 ZINC000522190120 490351295 /nfs/dbraw/zinc/35/12/95/490351295.db2.gz RKEWKSXNJAGXJP-UHFFFAOYSA-N 2 2 357.462 0.760 20 0 FCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000422492156 490357185 /nfs/dbraw/zinc/35/71/85/490357185.db2.gz OSLKMYMKFTTZCW-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000422492156 490357186 /nfs/dbraw/zinc/35/71/86/490357186.db2.gz OSLKMYMKFTTZCW-IAGOWNOFSA-N 2 2 366.506 0.158 20 0 FCADLP CC[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000448684954 490373399 /nfs/dbraw/zinc/37/33/99/490373399.db2.gz RNLZMKGTGWFGHQ-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[C@@H](C(=O)N1CCN(C(=O)C[NH+](C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000448684954 490373407 /nfs/dbraw/zinc/37/34/07/490373407.db2.gz RNLZMKGTGWFGHQ-HOTGVXAUSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1C ZINC000498966763 490374314 /nfs/dbraw/zinc/37/43/14/490374314.db2.gz FKOMTHUODDTRIO-MSOLQXFVSA-N 2 2 369.554 0.501 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1C ZINC000498966763 490374317 /nfs/dbraw/zinc/37/43/17/490374317.db2.gz FKOMTHUODDTRIO-MSOLQXFVSA-N 2 2 369.554 0.501 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000534524793 490375317 /nfs/dbraw/zinc/37/53/17/490375317.db2.gz AAEQKMJPOXNSFH-UHFFFAOYSA-N 2 2 373.505 0.478 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000522433156 490377392 /nfs/dbraw/zinc/37/73/92/490377392.db2.gz NLWJQJYHBSDTNG-SJORKVTESA-N 2 2 356.511 0.755 20 0 FCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000522433156 490377398 /nfs/dbraw/zinc/37/73/98/490377398.db2.gz NLWJQJYHBSDTNG-SJORKVTESA-N 2 2 356.511 0.755 20 0 FCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484109126 490386120 /nfs/dbraw/zinc/38/61/20/490386120.db2.gz OKKJVEOUENNVSI-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484109126 490386130 /nfs/dbraw/zinc/38/61/30/490386130.db2.gz OKKJVEOUENNVSI-MRXNPFEDSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[C@H](OC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000448924634 490387854 /nfs/dbraw/zinc/38/78/54/490387854.db2.gz YZMQMHJGKIKGNW-KRWDZBQOSA-N 2 2 368.522 0.498 20 0 FCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000564739167 491324113 /nfs/dbraw/zinc/32/41/13/491324113.db2.gz CUDDXZYSCGOPSJ-UHFFFAOYSA-N 2 2 363.462 0.472 20 0 FCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000564739167 491324116 /nfs/dbraw/zinc/32/41/16/491324116.db2.gz CUDDXZYSCGOPSJ-UHFFFAOYSA-N 2 2 363.462 0.472 20 0 FCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000522913370 490417771 /nfs/dbraw/zinc/41/77/71/490417771.db2.gz CRMTUBHJYZQNJU-UHFFFAOYSA-N 2 2 356.430 0.847 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000556656924 491325917 /nfs/dbraw/zinc/32/59/17/491325917.db2.gz WBTDVYJCIKCAGP-MRXNPFEDSA-N 2 2 363.462 0.103 20 0 FCADLP C[NH+]1CCN(C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787483 491326339 /nfs/dbraw/zinc/32/63/39/491326339.db2.gz YCEOMZCOVGFUGJ-RTBURBONSA-N 3 2 374.533 0.259 20 0 FCADLP C[NH+]1CCN(C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000564787483 491326340 /nfs/dbraw/zinc/32/63/40/491326340.db2.gz YCEOMZCOVGFUGJ-RTBURBONSA-N 3 2 374.533 0.259 20 0 FCADLP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000509706464 490453773 /nfs/dbraw/zinc/45/37/73/490453773.db2.gz OBTIAHZUURNEMO-HNNXBMFYSA-N 2 2 365.478 0.270 20 0 FCADLP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000509706464 490453780 /nfs/dbraw/zinc/45/37/80/490453780.db2.gz OBTIAHZUURNEMO-HNNXBMFYSA-N 2 2 365.478 0.270 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535097781 490455607 /nfs/dbraw/zinc/45/56/07/490455607.db2.gz YFNBQJMJSNAZIP-CVEARBPZSA-N 2 2 359.536 0.827 20 0 FCADLP CN(C(=O)CS(C)(=O)=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535097781 490455615 /nfs/dbraw/zinc/45/56/15/490455615.db2.gz YFNBQJMJSNAZIP-CVEARBPZSA-N 2 2 359.536 0.827 20 0 FCADLP CNc1nc(NCCCC[NH+]2CCN(CCO)CC2)[nH+]c2ccccc21 ZINC000450327995 490460797 /nfs/dbraw/zinc/46/07/97/490460797.db2.gz AWECQIBFKDEGEF-UHFFFAOYSA-N 2 2 358.490 0.317 20 0 FCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422709174 490461951 /nfs/dbraw/zinc/46/19/51/490461951.db2.gz JXFDLAGHTVSXBA-OALUTQOASA-N 2 2 360.502 0.817 20 0 FCADLP C[C@H](CCCC[NH3+])[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422716719 490464218 /nfs/dbraw/zinc/46/42/18/490464218.db2.gz VESBPENEUIWMER-MRXNPFEDSA-N 3 2 369.535 0.641 20 0 FCADLP [NH3+]C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422753092 490471275 /nfs/dbraw/zinc/47/12/75/490471275.db2.gz DOAZYTGTUKBFEV-INIZCTEOSA-N 2 2 359.474 0.850 20 0 FCADLP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000564822571 491329032 /nfs/dbraw/zinc/32/90/32/491329032.db2.gz GWECUKUNMNLSCY-HOTGVXAUSA-N 2 2 359.536 0.936 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000484910448 490476969 /nfs/dbraw/zinc/47/69/69/490476969.db2.gz UYSZLAPCNTWOSC-RWMBFGLXSA-N 2 2 366.487 0.281 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000484910448 490476977 /nfs/dbraw/zinc/47/69/77/490476977.db2.gz UYSZLAPCNTWOSC-RWMBFGLXSA-N 2 2 366.487 0.281 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000484943825 490480088 /nfs/dbraw/zinc/48/00/88/490480088.db2.gz GIAQLWZLEYXRFC-QWHCGFSZSA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000484943825 490480094 /nfs/dbraw/zinc/48/00/94/490480094.db2.gz GIAQLWZLEYXRFC-QWHCGFSZSA-N 2 2 354.476 0.511 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484934128 490480522 /nfs/dbraw/zinc/48/05/22/490480522.db2.gz HLONFWHYQYSSQR-IHRRRGAJSA-N 2 2 368.503 0.933 20 0 FCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000484934128 490480526 /nfs/dbraw/zinc/48/05/26/490480526.db2.gz HLONFWHYQYSSQR-IHRRRGAJSA-N 2 2 368.503 0.933 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000484943826 490480920 /nfs/dbraw/zinc/48/09/20/490480920.db2.gz GIAQLWZLEYXRFC-STQMWFEESA-N 2 2 354.476 0.511 20 0 FCADLP CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000484943826 490480925 /nfs/dbraw/zinc/48/09/25/490480925.db2.gz GIAQLWZLEYXRFC-STQMWFEESA-N 2 2 354.476 0.511 20 0 FCADLP C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000422818999 490481886 /nfs/dbraw/zinc/48/18/86/490481886.db2.gz LXZBCFSYTPZYLA-OKILXGFUSA-N 2 2 353.488 0.844 20 0 FCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422832407 490483798 /nfs/dbraw/zinc/48/37/98/490483798.db2.gz UXTURNPCFZDMOX-HUUCEWRRSA-N 2 2 352.479 0.988 20 0 FCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998311 490483989 /nfs/dbraw/zinc/48/39/89/490483989.db2.gz UTJOJCMGIKULIA-KSSFIOAISA-N 2 2 355.479 0.629 20 0 FCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)C1 ZINC000509998311 490483993 /nfs/dbraw/zinc/48/39/93/490483993.db2.gz UTJOJCMGIKULIA-KSSFIOAISA-N 2 2 355.479 0.629 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422864709 490487897 /nfs/dbraw/zinc/48/78/97/490487897.db2.gz NTVDMQQVLCAHRS-DZGCQCFKSA-N 2 2 353.488 0.879 20 0 FCADLP CCN(CC)C(=O)CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000535431070 490489448 /nfs/dbraw/zinc/48/94/48/490489448.db2.gz QZOZNLPOGJRZFQ-UHFFFAOYSA-N 2 2 355.527 0.960 20 0 FCADLP CCNc1nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000450789562 490489975 /nfs/dbraw/zinc/48/99/75/490489975.db2.gz GGXSRFRUWIOIGZ-BETUJISGSA-N 2 2 351.499 0.827 20 0 FCADLP CCNc1nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000450789562 490489985 /nfs/dbraw/zinc/48/99/85/490489985.db2.gz GGXSRFRUWIOIGZ-BETUJISGSA-N 2 2 351.499 0.827 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000535576344 490503133 /nfs/dbraw/zinc/50/31/33/490503133.db2.gz WLHBMDVBUVGACX-VQIMIIECSA-N 2 2 361.486 0.838 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000535576344 490503137 /nfs/dbraw/zinc/50/31/37/490503137.db2.gz WLHBMDVBUVGACX-VQIMIIECSA-N 2 2 361.486 0.838 20 0 FCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000564861173 491332050 /nfs/dbraw/zinc/33/20/50/491332050.db2.gz YRJYJBFUQHFMIC-AXRJEEMOSA-N 2 2 362.536 0.650 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535726927 490519131 /nfs/dbraw/zinc/51/91/31/490519131.db2.gz OETCRKKKLXHWNL-AEFFLSMTSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535726927 490519138 /nfs/dbraw/zinc/51/91/38/490519138.db2.gz OETCRKKKLXHWNL-AEFFLSMTSA-N 2 2 362.522 0.336 20 0 FCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000423016301 490519736 /nfs/dbraw/zinc/51/97/36/490519736.db2.gz STIPWKKGQYWRER-GOSISDBHSA-N 2 2 358.486 0.850 20 0 FCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423025024 490522911 /nfs/dbraw/zinc/52/29/11/490522911.db2.gz NFLQUQGZXBXOHF-IAGOWNOFSA-N 2 2 374.485 0.405 20 0 FCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423025026 490523158 /nfs/dbraw/zinc/52/31/58/490523158.db2.gz NFLQUQGZXBXOHF-SJORKVTESA-N 2 2 374.485 0.405 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000423061121 490532917 /nfs/dbraw/zinc/53/29/17/490532917.db2.gz QFAUMQGSCQWWJC-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000485510375 490537073 /nfs/dbraw/zinc/53/70/73/490537073.db2.gz PNMQLADVAHLDDO-UHFFFAOYSA-N 2 2 369.469 0.952 20 0 FCADLP C[N@@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000485510375 490537080 /nfs/dbraw/zinc/53/70/80/490537080.db2.gz PNMQLADVAHLDDO-UHFFFAOYSA-N 2 2 369.469 0.952 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000524433686 490537678 /nfs/dbraw/zinc/53/76/78/490537678.db2.gz JBTHDUIWZZAMPD-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000524433686 490537681 /nfs/dbraw/zinc/53/76/81/490537681.db2.gz JBTHDUIWZZAMPD-HNNXBMFYSA-N 2 2 362.474 0.566 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485534119 490540137 /nfs/dbraw/zinc/54/01/37/490540137.db2.gz RMCHNKRRMXBXDW-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000485534119 490540142 /nfs/dbraw/zinc/54/01/42/490540142.db2.gz RMCHNKRRMXBXDW-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000485534119 490540144 /nfs/dbraw/zinc/54/01/44/490540144.db2.gz RMCHNKRRMXBXDW-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000485534119 490540148 /nfs/dbraw/zinc/54/01/48/490540148.db2.gz RMCHNKRRMXBXDW-MRXNPFEDSA-N 2 2 358.486 0.930 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000524598324 490545730 /nfs/dbraw/zinc/54/57/30/490545730.db2.gz PZZYCEHQQIHAJC-RDJZCZTQSA-N 2 2 372.535 0.214 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000524598324 490545736 /nfs/dbraw/zinc/54/57/36/490545736.db2.gz PZZYCEHQQIHAJC-RDJZCZTQSA-N 2 2 372.535 0.214 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000510884778 490546749 /nfs/dbraw/zinc/54/67/49/490546749.db2.gz SEUBZBOWLKMLPT-MRXNPFEDSA-N 2 2 354.495 0.012 20 0 FCADLP COC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000510884778 490546753 /nfs/dbraw/zinc/54/67/53/490546753.db2.gz SEUBZBOWLKMLPT-MRXNPFEDSA-N 2 2 354.495 0.012 20 0 FCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000571884641 491335115 /nfs/dbraw/zinc/33/51/15/491335115.db2.gz XLZKCTTXBARLMP-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000571884641 491335116 /nfs/dbraw/zinc/33/51/16/491335116.db2.gz XLZKCTTXBARLMP-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000571884641 491335118 /nfs/dbraw/zinc/33/51/18/491335118.db2.gz XLZKCTTXBARLMP-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000571884641 491335119 /nfs/dbraw/zinc/33/51/19/491335119.db2.gz XLZKCTTXBARLMP-LJQANCHMSA-N 2 2 366.506 0.110 20 0 FCADLP [NH3+]CCCn1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)nn1 ZINC000564909511 491335159 /nfs/dbraw/zinc/33/51/59/491335159.db2.gz MXXQYWFSOKETOI-QGZVFWFLSA-N 2 2 358.446 0.430 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)[C@H](C[NH3+])C1 ZINC000571891509 491335431 /nfs/dbraw/zinc/33/54/31/491335431.db2.gz AHEBWJYSFXXTLA-CYBMUJFWSA-N 2 2 364.425 0.852 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)[C@H](C[NH3+])C1 ZINC000571891509 491335435 /nfs/dbraw/zinc/33/54/35/491335435.db2.gz AHEBWJYSFXXTLA-CYBMUJFWSA-N 2 2 364.425 0.852 20 0 FCADLP CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000524785752 490560442 /nfs/dbraw/zinc/56/04/42/490560442.db2.gz NJZFKLUWFGXJLI-GOSISDBHSA-N 2 2 367.538 0.520 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1C[NH2+]C1 ZINC000564918498 491336659 /nfs/dbraw/zinc/33/66/59/491336659.db2.gz VHGDURJNVSLAHT-HOCLYGCPSA-N 2 2 374.489 0.254 20 0 FCADLP C[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1C[NH2+]C1 ZINC000564918498 491336661 /nfs/dbraw/zinc/33/66/61/491336661.db2.gz VHGDURJNVSLAHT-HOCLYGCPSA-N 2 2 374.489 0.254 20 0 FCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000564922409 491336984 /nfs/dbraw/zinc/33/69/84/491336984.db2.gz GRPFLTKEPATLBH-BBWFWOEESA-N 2 2 368.522 0.579 20 0 FCADLP COCCCOC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000525121015 490577595 /nfs/dbraw/zinc/57/75/95/490577595.db2.gz KZMYZKZLGBYEFJ-UHFFFAOYSA-N 2 2 371.522 0.731 20 0 FCADLP O=S(=O)(CC[NH2+]C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000525181095 490582927 /nfs/dbraw/zinc/58/29/27/490582927.db2.gz QNRGRSJIAABEJE-UHFFFAOYSA-N 2 2 354.476 0.302 20 0 FCADLP Cn1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(-c2cccnc2)n1 ZINC000486049605 490588157 /nfs/dbraw/zinc/58/81/57/490588157.db2.gz AZTBHDQRKLLJFD-KRWDZBQOSA-N 2 2 354.458 0.878 20 0 FCADLP Cn1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(-c2cccnc2)n1 ZINC000486049605 490588160 /nfs/dbraw/zinc/58/81/60/490588160.db2.gz AZTBHDQRKLLJFD-KRWDZBQOSA-N 2 2 354.458 0.878 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000511724731 490623262 /nfs/dbraw/zinc/62/32/62/490623262.db2.gz POVOGGPBGWVOMV-MRXNPFEDSA-N 2 2 374.551 0.379 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000511724731 490623265 /nfs/dbraw/zinc/62/32/65/490623265.db2.gz POVOGGPBGWVOMV-MRXNPFEDSA-N 2 2 374.551 0.379 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000511724730 490623288 /nfs/dbraw/zinc/62/32/88/490623288.db2.gz POVOGGPBGWVOMV-INIZCTEOSA-N 2 2 374.551 0.379 20 0 FCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000511724730 490623291 /nfs/dbraw/zinc/62/32/91/490623291.db2.gz POVOGGPBGWVOMV-INIZCTEOSA-N 2 2 374.551 0.379 20 0 FCADLP O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486432001 490624586 /nfs/dbraw/zinc/62/45/86/490624586.db2.gz FFTHBONPSOBFSX-PKOBYXMFSA-N 2 2 356.470 0.903 20 0 FCADLP O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486432001 490624590 /nfs/dbraw/zinc/62/45/90/490624590.db2.gz FFTHBONPSOBFSX-PKOBYXMFSA-N 2 2 356.470 0.903 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)nc2)CC1 ZINC000571986653 491341057 /nfs/dbraw/zinc/34/10/57/491341057.db2.gz LAIXNYOLZHCMBT-LSDHHAIUSA-N 2 2 365.503 0.063 20 0 FCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486443416 490626266 /nfs/dbraw/zinc/62/62/66/490626266.db2.gz HAZIIIJBTCKQBK-PKOBYXMFSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486443416 490626270 /nfs/dbraw/zinc/62/62/70/490626270.db2.gz HAZIIIJBTCKQBK-PKOBYXMFSA-N 2 2 372.513 0.938 20 0 FCADLP COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453113 490629280 /nfs/dbraw/zinc/62/92/80/490629280.db2.gz SJARVHIJRVFJKZ-CABCVRRESA-N 2 2 360.458 0.918 20 0 FCADLP COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486453113 490629284 /nfs/dbraw/zinc/62/92/84/490629284.db2.gz SJARVHIJRVFJKZ-CABCVRRESA-N 2 2 360.458 0.918 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)cn1 ZINC000486458105 490630192 /nfs/dbraw/zinc/63/01/92/490630192.db2.gz HWSNSKRTQPKDGE-CYBMUJFWSA-N 2 2 351.838 0.570 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)cn1 ZINC000486458105 490630196 /nfs/dbraw/zinc/63/01/96/490630196.db2.gz HWSNSKRTQPKDGE-CYBMUJFWSA-N 2 2 351.838 0.570 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000486458161 490630211 /nfs/dbraw/zinc/63/02/11/490630211.db2.gz HBUQACRWIUHJAO-INIZCTEOSA-N 2 2 355.446 0.101 20 0 FCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000486458161 490630215 /nfs/dbraw/zinc/63/02/15/490630215.db2.gz HBUQACRWIUHJAO-INIZCTEOSA-N 2 2 355.446 0.101 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000486455682 490630668 /nfs/dbraw/zinc/63/06/68/490630668.db2.gz BMSPMANDTHHBIP-CYBMUJFWSA-N 2 2 352.385 0.800 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000486455682 490630675 /nfs/dbraw/zinc/63/06/75/490630675.db2.gz BMSPMANDTHHBIP-CYBMUJFWSA-N 2 2 352.385 0.800 20 0 FCADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N[C@H]1CCOc2ccccc21 ZINC000486461152 490633840 /nfs/dbraw/zinc/63/38/40/490633840.db2.gz ONTJTIYPSTZRBO-RDJZCZTQSA-N 2 2 372.469 0.523 20 0 FCADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N[C@H]1CCOc2ccccc21 ZINC000486461152 490633844 /nfs/dbraw/zinc/63/38/44/490633844.db2.gz ONTJTIYPSTZRBO-RDJZCZTQSA-N 2 2 372.469 0.523 20 0 FCADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCc2sccc2C1 ZINC000486471585 490636630 /nfs/dbraw/zinc/63/66/30/490636630.db2.gz REOFCXZWEYJQQH-OAHLLOKOSA-N 2 2 362.499 0.529 20 0 FCADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCc2sccc2C1 ZINC000486471585 490636634 /nfs/dbraw/zinc/63/66/34/490636634.db2.gz REOFCXZWEYJQQH-OAHLLOKOSA-N 2 2 362.499 0.529 20 0 FCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512041010 490653715 /nfs/dbraw/zinc/65/37/15/490653715.db2.gz OIWZNLVBTYKKGO-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000512041010 490653723 /nfs/dbraw/zinc/65/37/23/490653723.db2.gz OIWZNLVBTYKKGO-IRXDYDNUSA-N 2 2 366.506 0.015 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1C ZINC000550294366 490656871 /nfs/dbraw/zinc/65/68/71/490656871.db2.gz FZARPQXQZFFUPG-GJZGRUSLSA-N 2 2 357.458 0.934 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1C ZINC000550294366 490656875 /nfs/dbraw/zinc/65/68/75/490656875.db2.gz FZARPQXQZFFUPG-GJZGRUSLSA-N 2 2 357.458 0.934 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000572063297 491346567 /nfs/dbraw/zinc/34/65/67/491346567.db2.gz HZYJHTQTUNSSFC-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000572063297 491346569 /nfs/dbraw/zinc/34/65/69/491346569.db2.gz HZYJHTQTUNSSFC-UHFFFAOYSA-N 2 2 368.522 0.452 20 0 FCADLP CC(C)(CNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000550359772 490663150 /nfs/dbraw/zinc/66/31/50/490663150.db2.gz MQRZSCJTJLLFMS-UHFFFAOYSA-N 2 2 366.506 0.204 20 0 FCADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000512384545 490678978 /nfs/dbraw/zinc/67/89/78/490678978.db2.gz ROKDFMYSQGOKGM-UHFFFAOYSA-N 2 2 371.441 0.974 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000502570786 490710754 /nfs/dbraw/zinc/71/07/54/490710754.db2.gz ICXBQQHTJYABKD-JKSUJKDBSA-N 2 2 365.522 0.983 20 0 FCADLP CN(C(=O)C1(NC(N)=O)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000502570786 490710758 /nfs/dbraw/zinc/71/07/58/490710758.db2.gz ICXBQQHTJYABKD-JKSUJKDBSA-N 2 2 365.522 0.983 20 0 FCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000502836652 490723814 /nfs/dbraw/zinc/72/38/14/490723814.db2.gz YNJBZHLFVWNIES-MSOLQXFVSA-N 2 2 374.485 0.962 20 0 FCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000513340479 490724034 /nfs/dbraw/zinc/72/40/34/490724034.db2.gz KKHQZOBWLWYYCM-HNNXBMFYSA-N 2 2 370.538 0.791 20 0 FCADLP COC(C)(C)C[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000513340479 490724036 /nfs/dbraw/zinc/72/40/36/490724036.db2.gz KKHQZOBWLWYYCM-HNNXBMFYSA-N 2 2 370.538 0.791 20 0 FCADLP CO[C@H]1C[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1OC ZINC000487963032 490739083 /nfs/dbraw/zinc/73/90/83/490739083.db2.gz ZQELVDVQFFXVMM-IRXDYDNUSA-N 2 2 369.506 0.483 20 0 FCADLP CC(C)(C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC000513806238 490748587 /nfs/dbraw/zinc/74/85/87/490748587.db2.gz FVRVSNRYZWDRKJ-IRXDYDNUSA-N 2 2 353.507 0.981 20 0 FCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572154225 491352199 /nfs/dbraw/zinc/35/21/99/491352199.db2.gz ICHBJLANAFVNBZ-SFHVURJKSA-N 2 2 353.470 0.980 20 0 FCADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000538849288 490754022 /nfs/dbraw/zinc/75/40/22/490754022.db2.gz VRMCAHWAEDURGO-UHFFFAOYSA-N 2 2 365.415 0.326 20 0 FCADLP O=S(=O)(CC[NH2+][C@H]1CCCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000538868283 490754595 /nfs/dbraw/zinc/75/45/95/490754595.db2.gz MUIXWYGGMLTRKB-INIZCTEOSA-N 2 2 368.503 0.692 20 0 FCADLP CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000572148930 491352471 /nfs/dbraw/zinc/35/24/71/491352471.db2.gz KDOSPIMTNRKUKH-XUWVNRHRSA-N 2 2 351.495 0.776 20 0 FCADLP CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000572148930 491352472 /nfs/dbraw/zinc/35/24/72/491352472.db2.gz KDOSPIMTNRKUKH-XUWVNRHRSA-N 2 2 351.495 0.776 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000503526454 490761277 /nfs/dbraw/zinc/76/12/77/490761277.db2.gz OXBAMBCCNWGPBL-AWEZNQCLSA-N 2 2 353.488 0.703 20 0 FCADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000503526454 490761281 /nfs/dbraw/zinc/76/12/81/490761281.db2.gz OXBAMBCCNWGPBL-AWEZNQCLSA-N 2 2 353.488 0.703 20 0 FCADLP C[C@H](CNC(=O)C(=O)NCC[NH+]1CCSCC1)[NH+]1CCC(C)CC1 ZINC000557120193 491353883 /nfs/dbraw/zinc/35/38/83/491353883.db2.gz CRUHDFNCBJKPFL-OAHLLOKOSA-N 2 2 356.536 0.388 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000539320702 490776389 /nfs/dbraw/zinc/77/63/89/490776389.db2.gz WEENUPTYXQZOFG-CVEARBPZSA-N 2 2 359.536 0.875 20 0 FCADLP CC(C)Nc1nc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(NCCO)[nH+]1 ZINC000514684084 490782145 /nfs/dbraw/zinc/78/21/45/490782145.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 2 2 365.526 0.497 20 0 FCADLP CC(C)Nc1nc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(NCCO)[nH+]1 ZINC000514684084 490782147 /nfs/dbraw/zinc/78/21/47/490782147.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 2 2 365.526 0.497 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000514684084 490782150 /nfs/dbraw/zinc/78/21/50/490782150.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 2 2 365.526 0.497 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000514684084 490782152 /nfs/dbraw/zinc/78/21/52/490782152.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 2 2 365.526 0.497 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CCC(C[N@H+](C)C(C)C)CC2)[nH+]1 ZINC000514684084 490782154 /nfs/dbraw/zinc/78/21/54/490782154.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 2 2 365.526 0.497 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(N2CCC(C[N@@H+](C)C(C)C)CC2)[nH+]1 ZINC000514684084 490782156 /nfs/dbraw/zinc/78/21/56/490782156.db2.gz OLHWOZPVXMSJKQ-UHFFFAOYSA-N 2 2 365.526 0.497 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000514681979 490782318 /nfs/dbraw/zinc/78/23/18/490782318.db2.gz CNQJWVKIDZYWOO-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000514681979 490782319 /nfs/dbraw/zinc/78/23/19/490782319.db2.gz CNQJWVKIDZYWOO-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCC(=O)N3CC[NH+](C)CC3)c2cc1C ZINC000514788541 490788195 /nfs/dbraw/zinc/78/81/95/490788195.db2.gz KLXSBQZHHBEWAN-KRWDZBQOSA-N 3 2 373.501 0.768 20 0 FCADLP C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000514805126 490789658 /nfs/dbraw/zinc/78/96/58/490789658.db2.gz LCDFAQPOCIBMPK-JLSDUUJJSA-N 2 2 364.465 0.470 20 0 FCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000504331220 490795651 /nfs/dbraw/zinc/79/56/51/490795651.db2.gz GGHRWSLKNTZMIC-KRWDZBQOSA-N 2 2 362.522 0.791 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000514903012 490796759 /nfs/dbraw/zinc/79/67/59/490796759.db2.gz HSBZOQCLKGSRDY-DLBZAZTESA-N 2 2 365.522 0.617 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000514903012 490796762 /nfs/dbraw/zinc/79/67/62/490796762.db2.gz HSBZOQCLKGSRDY-DLBZAZTESA-N 2 2 365.522 0.617 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000514977690 490801423 /nfs/dbraw/zinc/80/14/23/490801423.db2.gz ZNIDKNRMRGCDHX-MRXNPFEDSA-N 2 2 365.478 0.322 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000514977690 490801425 /nfs/dbraw/zinc/80/14/25/490801425.db2.gz ZNIDKNRMRGCDHX-MRXNPFEDSA-N 2 2 365.478 0.322 20 0 FCADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000514977690 490801427 /nfs/dbraw/zinc/80/14/27/490801427.db2.gz ZNIDKNRMRGCDHX-MRXNPFEDSA-N 2 2 365.478 0.322 20 0 FCADLP O=C(CCn1cc[nH+]c1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000504620788 490806826 /nfs/dbraw/zinc/80/68/26/490806826.db2.gz LASNJTPAXYRQFQ-UHFFFAOYSA-N 2 2 356.430 0.523 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528560462 490809868 /nfs/dbraw/zinc/80/98/68/490809868.db2.gz JUQMJJOSWIJNHG-HNNXBMFYSA-N 2 2 374.551 0.142 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528560462 490809872 /nfs/dbraw/zinc/80/98/72/490809872.db2.gz JUQMJJOSWIJNHG-HNNXBMFYSA-N 2 2 374.551 0.142 20 0 FCADLP C[C@H]1[NH2+]CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)[C@@H]1C ZINC000557168394 491357409 /nfs/dbraw/zinc/35/74/09/491357409.db2.gz WCJPCHQCRBMEQH-HUUCEWRRSA-N 2 2 351.495 0.323 20 0 FCADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000540341354 490818586 /nfs/dbraw/zinc/81/85/86/490818586.db2.gz GZRIYIKUIZLPGS-IBGZPJMESA-N 2 2 360.502 0.732 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)[C@H](C[NH3+])C1 ZINC000557183147 491358378 /nfs/dbraw/zinc/35/83/78/491358378.db2.gz SKQGSAVBCVUCME-GFCCVEGCSA-N 2 2 361.368 0.764 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000515495553 490829058 /nfs/dbraw/zinc/82/90/58/490829058.db2.gz HDGRNXXQQWSYNZ-BBWFWOEESA-N 2 2 358.479 0.216 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 ZINC000515495553 490829059 /nfs/dbraw/zinc/82/90/59/490829059.db2.gz HDGRNXXQQWSYNZ-BBWFWOEESA-N 2 2 358.479 0.216 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ccc1C[NH+](C)C ZINC000515610011 490833246 /nfs/dbraw/zinc/83/32/46/490833246.db2.gz RJOMUOOSDVBDKQ-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)ccc1C[NH+](C)C ZINC000515610011 490833248 /nfs/dbraw/zinc/83/32/48/490833248.db2.gz RJOMUOOSDVBDKQ-HNNXBMFYSA-N 2 2 362.474 0.832 20 0 FCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])[C@H](C)C1 ZINC000557193855 491358799 /nfs/dbraw/zinc/35/87/99/491358799.db2.gz SAIOFCULGLVUHV-IKGGRYGDSA-N 3 2 355.527 0.408 20 0 FCADLP CCOCCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@H](C)C1 ZINC000557193855 491358802 /nfs/dbraw/zinc/35/88/02/491358802.db2.gz SAIOFCULGLVUHV-IKGGRYGDSA-N 3 2 355.527 0.408 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCSC3)CC2)CC1 ZINC000557233579 491360712 /nfs/dbraw/zinc/36/07/12/491360712.db2.gz MHCQMPCMAPXMAP-AWEZNQCLSA-N 2 2 368.547 0.531 20 0 FCADLP COC[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000557234495 491360829 /nfs/dbraw/zinc/36/08/29/491360829.db2.gz WACWYDBDXHAQRW-QGZVFWFLSA-N 2 2 368.522 0.448 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000505726929 490838110 /nfs/dbraw/zinc/83/81/10/490838110.db2.gz VQRRUOZEUKXEGF-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000505726929 490838113 /nfs/dbraw/zinc/83/81/13/490838113.db2.gz VQRRUOZEUKXEGF-JKSUJKDBSA-N 2 2 359.536 0.686 20 0 FCADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000515832285 490840013 /nfs/dbraw/zinc/84/00/13/490840013.db2.gz PWDFFFDGKULQAX-MAUKXSAKSA-N 2 2 365.474 0.943 20 0 FCADLP CN(Cc1ccoc1)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000557238961 491361116 /nfs/dbraw/zinc/36/11/16/491361116.db2.gz IFUAJAATYPLTCI-UHFFFAOYSA-N 2 2 362.474 0.913 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000529306527 490848607 /nfs/dbraw/zinc/84/86/07/490848607.db2.gz UWNBUMWSLWEOMP-KRWDZBQOSA-N 2 2 368.522 0.897 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000529306527 490848609 /nfs/dbraw/zinc/84/86/09/490848609.db2.gz UWNBUMWSLWEOMP-KRWDZBQOSA-N 2 2 368.522 0.897 20 0 FCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000516173865 490854397 /nfs/dbraw/zinc/85/43/97/490854397.db2.gz GHXPFTZUKIHUJI-ZFWWWQNUSA-N 2 2 350.488 0.588 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000516327019 490861108 /nfs/dbraw/zinc/86/11/08/490861108.db2.gz LMYFLQBXRGTRLL-WCXIOVBPSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000516327019 490861110 /nfs/dbraw/zinc/86/11/10/490861110.db2.gz LMYFLQBXRGTRLL-WCXIOVBPSA-N 2 2 368.522 0.448 20 0 FCADLP CCOCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000557251485 491362242 /nfs/dbraw/zinc/36/22/42/491362242.db2.gz HWWYJENSXXLUGZ-UHFFFAOYSA-N 2 2 368.522 0.500 20 0 FCADLP CN1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000516554131 490867665 /nfs/dbraw/zinc/86/76/65/490867665.db2.gz VPPJNJCMOCKGAQ-SFHVURJKSA-N 2 2 361.490 0.303 20 0 FCADLP O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000516554239 490867893 /nfs/dbraw/zinc/86/78/93/490867893.db2.gz HOJCTLOMIZLCDQ-WBVHZDCISA-N 2 2 356.536 0.883 20 0 FCADLP C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H]1[NH+](C)C ZINC000541755268 490870883 /nfs/dbraw/zinc/87/08/83/490870883.db2.gz KVRLYFYOBYMGPZ-PBHICJAKSA-N 2 2 374.489 0.883 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCS(=O)(=O)NC(C)C)c2cc1C ZINC000516645037 490872302 /nfs/dbraw/zinc/87/23/02/490872302.db2.gz LBEOOKVLRWTOKJ-OAHLLOKOSA-N 2 2 368.503 0.931 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@H+]1C)CC2 ZINC000529751883 490872488 /nfs/dbraw/zinc/87/24/88/490872488.db2.gz IUMPVZGASWFIAQ-HNAYVOBHSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@]1(CO)COCC3(CCC3)[N@@H+]1C)CC2 ZINC000529751883 490872490 /nfs/dbraw/zinc/87/24/90/490872490.db2.gz IUMPVZGASWFIAQ-HNAYVOBHSA-N 2 2 362.474 0.486 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)ccn12 ZINC000529754157 490873941 /nfs/dbraw/zinc/87/39/41/490873941.db2.gz TXLMZZYDGSODKI-IBGZPJMESA-N 2 2 358.442 0.988 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)ccn12 ZINC000529754157 490873944 /nfs/dbraw/zinc/87/39/44/490873944.db2.gz TXLMZZYDGSODKI-IBGZPJMESA-N 2 2 358.442 0.988 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000516751417 490876503 /nfs/dbraw/zinc/87/65/03/490876503.db2.gz BLGRPZLGLQFTLE-GOEBONIOSA-N 2 2 364.515 0.897 20 0 FCADLP CN(C)[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)c1c[nH+]cn1C ZINC000529817787 490878432 /nfs/dbraw/zinc/87/84/32/490878432.db2.gz VMDMQIGHKNTFAS-QGZVFWFLSA-N 2 2 372.473 0.953 20 0 FCADLP C[C@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000516862191 490881280 /nfs/dbraw/zinc/88/12/80/490881280.db2.gz OKBFYNGYVPPGLM-CQSZACIVSA-N 2 2 354.476 0.143 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000530104462 490889091 /nfs/dbraw/zinc/88/90/91/490889091.db2.gz KOELAGZLFXFJMY-MRXNPFEDSA-N 2 2 361.490 0.880 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030228 490891906 /nfs/dbraw/zinc/89/19/06/490891906.db2.gz KLPUZAMHIUHINQ-CHWSQXEVSA-N 2 2 360.414 0.647 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000517030228 490891907 /nfs/dbraw/zinc/89/19/07/490891907.db2.gz KLPUZAMHIUHINQ-CHWSQXEVSA-N 2 2 360.414 0.647 20 0 FCADLP CN(C)c1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC000517082085 490894445 /nfs/dbraw/zinc/89/44/45/490894445.db2.gz WSNRDPVXWXJHQD-OAHLLOKOSA-N 2 2 362.478 0.534 20 0 FCADLP CN(C)c1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC000517082085 490894448 /nfs/dbraw/zinc/89/44/48/490894448.db2.gz WSNRDPVXWXJHQD-OAHLLOKOSA-N 2 2 362.478 0.534 20 0 FCADLP CCOCC[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000517322159 490904345 /nfs/dbraw/zinc/90/43/45/490904345.db2.gz OTYJLKFPZMIYRJ-VJANTYMQSA-N 2 2 357.539 0.889 20 0 FCADLP CCOCC[N@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1CC ZINC000517322159 490904346 /nfs/dbraw/zinc/90/43/46/490904346.db2.gz OTYJLKFPZMIYRJ-VJANTYMQSA-N 2 2 357.539 0.889 20 0 FCADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCn3cc[nH+]c3)ccn2)CC1 ZINC000542781542 490909081 /nfs/dbraw/zinc/90/90/81/490909081.db2.gz JYFLFPPLRLMCBL-UHFFFAOYSA-N 2 2 357.418 0.487 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530571210 490913347 /nfs/dbraw/zinc/91/33/47/490913347.db2.gz OBMAQGVOPZHXJH-HXUWFJFHSA-N 2 2 361.486 0.804 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530571210 490913349 /nfs/dbraw/zinc/91/33/49/490913349.db2.gz OBMAQGVOPZHXJH-HXUWFJFHSA-N 2 2 361.486 0.804 20 0 FCADLP COc1ccccc1OC[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565294896 491367996 /nfs/dbraw/zinc/36/79/96/491367996.db2.gz SJRMMANOKFTHCP-HUUCEWRRSA-N 2 2 350.463 0.994 20 0 FCADLP COc1ccccc1OC[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565294896 491367999 /nfs/dbraw/zinc/36/79/99/491367999.db2.gz SJRMMANOKFTHCP-HUUCEWRRSA-N 2 2 350.463 0.994 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000517739034 490918536 /nfs/dbraw/zinc/91/85/36/490918536.db2.gz HVSITAIJPHKXFL-UHFFFAOYSA-N 2 2 374.489 0.015 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000517739034 490918539 /nfs/dbraw/zinc/91/85/39/490918539.db2.gz HVSITAIJPHKXFL-UHFFFAOYSA-N 2 2 374.489 0.015 20 0 FCADLP Cn1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000572360117 491364680 /nfs/dbraw/zinc/36/46/80/491364680.db2.gz GVQOGJDJLKKPIE-CQSZACIVSA-N 2 2 357.462 0.568 20 0 FCADLP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000530806470 490925625 /nfs/dbraw/zinc/92/56/25/490925625.db2.gz SLCLJGRTMCYBGN-INIZCTEOSA-N 2 2 374.485 0.915 20 0 FCADLP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000530806470 490925627 /nfs/dbraw/zinc/92/56/27/490925627.db2.gz SLCLJGRTMCYBGN-INIZCTEOSA-N 2 2 374.485 0.915 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000517964574 490926728 /nfs/dbraw/zinc/92/67/28/490926728.db2.gz GRYPDSIRGIHIEF-KBPBESRZSA-N 2 2 374.445 0.002 20 0 FCADLP CC1(C)C[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000530817911 490926757 /nfs/dbraw/zinc/92/67/57/490926757.db2.gz UXHCUVCPUAVQHH-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000530817911 490926758 /nfs/dbraw/zinc/92/67/58/490926758.db2.gz UXHCUVCPUAVQHH-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000530817911 490926760 /nfs/dbraw/zinc/92/67/60/490926760.db2.gz UXHCUVCPUAVQHH-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC1(C)C[NH+](CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000530817911 490926762 /nfs/dbraw/zinc/92/67/62/490926762.db2.gz UXHCUVCPUAVQHH-HXUWFJFHSA-N 2 2 361.486 0.850 20 0 FCADLP CC1CC[NH+](C[C@H](O)CNc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000531178979 490944941 /nfs/dbraw/zinc/94/49/41/490944941.db2.gz KHNUBYAYTCUYBL-OAHLLOKOSA-N 2 2 359.474 0.383 20 0 FCADLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000557297318 491366028 /nfs/dbraw/zinc/36/60/28/491366028.db2.gz LELSVLSNCKHHET-MRXNPFEDSA-N 2 2 361.490 0.791 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978791 490957292 /nfs/dbraw/zinc/95/72/92/490957292.db2.gz CODZAGVGTULCNZ-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP CC(C)C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000518978791 490957294 /nfs/dbraw/zinc/95/72/94/490957294.db2.gz CODZAGVGTULCNZ-SJORKVTESA-N 2 2 355.527 0.278 20 0 FCADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000519161569 490963379 /nfs/dbraw/zinc/96/33/79/490963379.db2.gz IKADMQJRMMCTTJ-UHFFFAOYSA-N 2 2 364.490 0.678 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000519175466 490964223 /nfs/dbraw/zinc/96/42/23/490964223.db2.gz BMWSCKYSOMXRRY-MBNYWOFBSA-N 2 2 366.487 0.423 20 0 FCADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000519175466 490964225 /nfs/dbraw/zinc/96/42/25/490964225.db2.gz BMWSCKYSOMXRRY-MBNYWOFBSA-N 2 2 366.487 0.423 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000531837947 490976271 /nfs/dbraw/zinc/97/62/71/490976271.db2.gz GHWQKQLPRSAFTJ-IRXDYDNUSA-N 2 2 353.511 0.127 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000531837947 490976273 /nfs/dbraw/zinc/97/62/73/490976273.db2.gz GHWQKQLPRSAFTJ-IRXDYDNUSA-N 2 2 353.511 0.127 20 0 FCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000519652417 490982657 /nfs/dbraw/zinc/98/26/57/490982657.db2.gz YOCURGNQJBDFBA-QAPCUYQASA-N 2 2 374.485 0.769 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)C2)CC1 ZINC000532348785 490991338 /nfs/dbraw/zinc/99/13/38/490991338.db2.gz MBSONKXTDBUCEH-MSOLQXFVSA-N 2 2 367.538 0.517 20 0 FCADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)C2)CC1 ZINC000532348785 490991339 /nfs/dbraw/zinc/99/13/39/490991339.db2.gz MBSONKXTDBUCEH-MSOLQXFVSA-N 2 2 367.538 0.517 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000595311647 491916817 /nfs/dbraw/zinc/91/68/17/491916817.db2.gz IQDXGXNQKUOMLC-KRWDZBQOSA-N 2 2 366.531 0.807 20 0 FCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)NC)cc3)C2)CC1 ZINC000595311647 491916819 /nfs/dbraw/zinc/91/68/19/491916819.db2.gz IQDXGXNQKUOMLC-KRWDZBQOSA-N 2 2 366.531 0.807 20 0 FCADLP CC(C)NC(=O)CN(C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478635 491926093 /nfs/dbraw/zinc/92/60/93/491926093.db2.gz QTOMDUSTNFFIAR-QGZVFWFLSA-N 2 2 367.538 0.070 20 0 FCADLP CC(C)NC(=O)CN(C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478635 491926094 /nfs/dbraw/zinc/92/60/94/491926094.db2.gz QTOMDUSTNFFIAR-QGZVFWFLSA-N 2 2 367.538 0.070 20 0 FCADLP CCOc1ccc(C[NH+]2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000569481562 491163385 /nfs/dbraw/zinc/16/33/85/491163385.db2.gz KQIXAMKDQUUFSL-GOSISDBHSA-N 2 2 374.485 0.598 20 0 FCADLP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000569529931 491166262 /nfs/dbraw/zinc/16/62/62/491166262.db2.gz CIIWCSAZWMLYLB-JKSUJKDBSA-N 2 2 359.474 0.504 20 0 FCADLP O=C(CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)NCC[NH+]1CCCCCC1 ZINC000554221442 491185451 /nfs/dbraw/zinc/18/54/51/491185451.db2.gz NNEQGJQSRRAYSA-UHFFFAOYSA-N 2 2 371.445 0.384 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569743574 491187560 /nfs/dbraw/zinc/18/75/60/491187560.db2.gz AEWKBGGSPSAMMG-GDBMZVCRSA-N 2 2 363.462 0.195 20 0 FCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569743574 491187563 /nfs/dbraw/zinc/18/75/63/491187563.db2.gz AEWKBGGSPSAMMG-GDBMZVCRSA-N 2 2 363.462 0.195 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000557336404 491368483 /nfs/dbraw/zinc/36/84/83/491368483.db2.gz RESCEKOEGGJPRR-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000557336404 491368484 /nfs/dbraw/zinc/36/84/84/491368484.db2.gz RESCEKOEGGJPRR-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000557336404 491368485 /nfs/dbraw/zinc/36/84/85/491368485.db2.gz RESCEKOEGGJPRR-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP C[C@H]1COCC[NH+]1CCNC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000557336404 491368486 /nfs/dbraw/zinc/36/84/86/491368486.db2.gz RESCEKOEGGJPRR-INIZCTEOSA-N 2 2 368.522 0.594 20 0 FCADLP COc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1F ZINC000572467229 491371966 /nfs/dbraw/zinc/37/19/66/491371966.db2.gz SPLVINKLIQLXQG-OAHLLOKOSA-N 2 2 366.437 0.650 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc[nH+]1 ZINC000660270768 493337404 /nfs/dbraw/zinc/33/74/04/493337404.db2.gz QXRXPNFNVNSKIQ-CVEARBPZSA-N 2 2 372.473 0.129 20 0 FCADLP Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc[nH+]1 ZINC000660270768 493337406 /nfs/dbraw/zinc/33/74/06/493337406.db2.gz QXRXPNFNVNSKIQ-CVEARBPZSA-N 2 2 372.473 0.129 20 0 FCADLP C[C@]1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000565410647 491375205 /nfs/dbraw/zinc/37/52/05/491375205.db2.gz QSCICQCJZQVNIU-KRWDZBQOSA-N 2 2 350.467 0.727 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000572517500 491375705 /nfs/dbraw/zinc/37/57/05/491375705.db2.gz UXHSGNHXXIEUDU-UKRRQHHQSA-N 2 2 357.462 0.920 20 0 FCADLP C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[C@@]1(C)C[NH3+] ZINC000565470403 491378500 /nfs/dbraw/zinc/37/85/00/491378500.db2.gz OKPHLUQJNAQMLB-OIISXLGYSA-N 2 2 356.536 0.821 20 0 FCADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000565470317 491378689 /nfs/dbraw/zinc/37/86/89/491378689.db2.gz PVVPTULTMLYFQN-AWEZNQCLSA-N 2 2 353.854 0.354 20 0 FCADLP C[N@H+]1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000565470317 491378691 /nfs/dbraw/zinc/37/86/91/491378691.db2.gz PVVPTULTMLYFQN-AWEZNQCLSA-N 2 2 353.854 0.354 20 0 FCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000565480455 491379475 /nfs/dbraw/zinc/37/94/75/491379475.db2.gz DJYKKWMLZKMLEU-LSDHHAIUSA-N 2 2 357.458 0.984 20 0 FCADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccn(CC[NH+](C)C)n2)cn1 ZINC000565490205 491379984 /nfs/dbraw/zinc/37/99/84/491379984.db2.gz GMOQSJHFRWLCHR-UHFFFAOYSA-N 2 2 370.461 0.717 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000565658875 491391621 /nfs/dbraw/zinc/39/16/21/491391621.db2.gz DNFHEBRAGLSYHH-HNNXBMFYSA-N 2 2 353.492 0.277 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000565658875 491391623 /nfs/dbraw/zinc/39/16/23/491391623.db2.gz DNFHEBRAGLSYHH-HNNXBMFYSA-N 2 2 353.492 0.277 20 0 FCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000557706591 491392833 /nfs/dbraw/zinc/39/28/33/491392833.db2.gz LBMPZYZESHTCKV-YVSFHVDLSA-N 2 2 368.522 0.543 20 0 FCADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000557706591 491392834 /nfs/dbraw/zinc/39/28/34/491392834.db2.gz LBMPZYZESHTCKV-YVSFHVDLSA-N 2 2 368.522 0.543 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000557706754 491392916 /nfs/dbraw/zinc/39/29/16/491392916.db2.gz OZUSSHBGZYYNNH-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000557706754 491392918 /nfs/dbraw/zinc/39/29/18/491392918.db2.gz OZUSSHBGZYYNNH-OAGGEKHMSA-N 2 2 354.495 0.010 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccccc1F ZINC000572855428 491398090 /nfs/dbraw/zinc/39/80/90/491398090.db2.gz VLPZYIFLMVZEAW-MRXNPFEDSA-N 2 2 360.437 0.853 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000565892793 491405781 /nfs/dbraw/zinc/40/57/81/491405781.db2.gz SQDLTYPFELXWMO-CORIIIEPSA-N 2 2 359.409 0.799 20 0 FCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000565892793 491405784 /nfs/dbraw/zinc/40/57/84/491405784.db2.gz SQDLTYPFELXWMO-CORIIIEPSA-N 2 2 359.409 0.799 20 0 FCADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1S(N)(=O)=O ZINC000573001351 491406651 /nfs/dbraw/zinc/40/66/51/491406651.db2.gz NCOQKRUXTFJJGM-CFVMTHIKSA-N 2 2 366.487 0.640 20 0 FCADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1S(N)(=O)=O ZINC000573001351 491406653 /nfs/dbraw/zinc/40/66/53/491406653.db2.gz NCOQKRUXTFJJGM-CFVMTHIKSA-N 2 2 366.487 0.640 20 0 FCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000573046610 491409195 /nfs/dbraw/zinc/40/91/95/491409195.db2.gz ZBHSVUKFVPMVRZ-CQSZACIVSA-N 2 2 356.430 0.988 20 0 FCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000573046610 491409197 /nfs/dbraw/zinc/40/91/97/491409197.db2.gz ZBHSVUKFVPMVRZ-CQSZACIVSA-N 2 2 356.430 0.988 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000660297787 493340873 /nfs/dbraw/zinc/34/08/73/493340873.db2.gz QEEVMPPUJQBEQQ-DLBZAZTESA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)N1CC[NH+](C)CC1 ZINC000558042377 491410218 /nfs/dbraw/zinc/41/02/18/491410218.db2.gz OXNBRAJHPXFKGH-INIZCTEOSA-N 2 2 359.478 0.281 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000573075010 491410533 /nfs/dbraw/zinc/41/05/33/491410533.db2.gz SBTMXHNQGGLWPO-KKUMJFAQSA-N 2 2 369.510 0.863 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000573075010 491410535 /nfs/dbraw/zinc/41/05/35/491410535.db2.gz SBTMXHNQGGLWPO-KKUMJFAQSA-N 2 2 369.510 0.863 20 0 FCADLP CC(C)(CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000668365133 493341042 /nfs/dbraw/zinc/34/10/42/493341042.db2.gz CBRPVDJYCUFACY-MRXNPFEDSA-N 2 2 366.506 0.300 20 0 FCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118776 491418656 /nfs/dbraw/zinc/41/86/56/491418656.db2.gz ZPLRNXDZKYHHIQ-CVEARBPZSA-N 2 2 362.474 0.146 20 0 FCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000566118776 491418658 /nfs/dbraw/zinc/41/86/58/491418658.db2.gz ZPLRNXDZKYHHIQ-CVEARBPZSA-N 2 2 362.474 0.146 20 0 FCADLP COc1ccc(C[C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000573224550 491420443 /nfs/dbraw/zinc/42/04/43/491420443.db2.gz XGVNWFWMSGMURV-HIFRSBDPSA-N 2 2 350.463 0.919 20 0 FCADLP COc1ccc(C[C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000573224550 491420445 /nfs/dbraw/zinc/42/04/45/491420445.db2.gz XGVNWFWMSGMURV-HIFRSBDPSA-N 2 2 350.463 0.919 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573309389 491425181 /nfs/dbraw/zinc/42/51/81/491425181.db2.gz KXOCTZFTQFADKC-YESZJQIVSA-N 2 2 366.506 0.252 20 0 FCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573309387 491425215 /nfs/dbraw/zinc/42/52/15/491425215.db2.gz KXOCTZFTQFADKC-GVDBMIGSSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000558394560 491428508 /nfs/dbraw/zinc/42/85/08/491428508.db2.gz HIVUTTIGEHTNRS-OKZBNKHCSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000558394560 491428512 /nfs/dbraw/zinc/42/85/12/491428512.db2.gz HIVUTTIGEHTNRS-OKZBNKHCSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000558394560 491428514 /nfs/dbraw/zinc/42/85/14/491428514.db2.gz HIVUTTIGEHTNRS-OKZBNKHCSA-N 2 2 369.554 0.355 20 0 FCADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000558394560 491428516 /nfs/dbraw/zinc/42/85/16/491428516.db2.gz HIVUTTIGEHTNRS-OKZBNKHCSA-N 2 2 369.554 0.355 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000566245879 491430065 /nfs/dbraw/zinc/43/00/65/491430065.db2.gz XSDXNIWVOKBANK-BZSNNMDCSA-N 2 2 367.515 0.417 20 0 FCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000566245879 491430067 /nfs/dbraw/zinc/43/00/67/491430067.db2.gz XSDXNIWVOKBANK-BZSNNMDCSA-N 2 2 367.515 0.417 20 0 FCADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000566297550 491433270 /nfs/dbraw/zinc/43/32/70/491433270.db2.gz FKFHZPFAYIIMOZ-GOSISDBHSA-N 2 2 355.442 1.041 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000566368119 491439599 /nfs/dbraw/zinc/43/95/99/491439599.db2.gz RPJPKXAXUVRBHR-CVEARBPZSA-N 2 2 373.432 0.872 20 0 FCADLP [NH3+]CC(F)(F)CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000566406904 491441944 /nfs/dbraw/zinc/44/19/44/491441944.db2.gz HOVDYGPMXSWCSM-UHFFFAOYSA-N 2 2 370.400 0.671 20 0 FCADLP CN(C)c1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000573663173 491446701 /nfs/dbraw/zinc/44/67/01/491446701.db2.gz HGYCHMVWBVNKJK-UHFFFAOYSA-N 2 2 357.418 0.647 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC2)c1N ZINC000566569099 491454013 /nfs/dbraw/zinc/45/40/13/491454013.db2.gz ICRRARDPGQHFJW-AWEZNQCLSA-N 2 2 353.467 0.592 20 0 FCADLP CCOC(=O)c1ncn(C2CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC2)c1N ZINC000566569099 491454015 /nfs/dbraw/zinc/45/40/15/491454015.db2.gz ICRRARDPGQHFJW-AWEZNQCLSA-N 2 2 353.467 0.592 20 0 FCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000573786174 491454497 /nfs/dbraw/zinc/45/44/97/491454497.db2.gz FVTQWGVETURJKO-HUUCEWRRSA-N 2 2 351.495 0.370 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000566584930 491455017 /nfs/dbraw/zinc/45/50/17/491455017.db2.gz XZSRBUWZJHMSKS-SOUVJXGZSA-N 2 2 359.474 0.927 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000566584930 491455020 /nfs/dbraw/zinc/45/50/20/491455020.db2.gz XZSRBUWZJHMSKS-SOUVJXGZSA-N 2 2 359.474 0.927 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566631254 491457370 /nfs/dbraw/zinc/45/73/70/491457370.db2.gz MURVJFDOMGIIIO-KMFMINBZSA-N 2 2 369.469 0.459 20 0 FCADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566631254 491457372 /nfs/dbraw/zinc/45/73/72/491457372.db2.gz MURVJFDOMGIIIO-KMFMINBZSA-N 2 2 369.469 0.459 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)C[C@H](C)O1 ZINC000573835037 491457818 /nfs/dbraw/zinc/45/78/18/491457818.db2.gz OJRYMAORLJDFRK-LXTVHRRPSA-N 2 2 369.428 0.309 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)C[C@H](C)O1 ZINC000573835037 491457819 /nfs/dbraw/zinc/45/78/19/491457819.db2.gz OJRYMAORLJDFRK-LXTVHRRPSA-N 2 2 369.428 0.309 20 0 FCADLP CSc1cccc(N2C[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CC2=O)c1 ZINC000573918356 491462868 /nfs/dbraw/zinc/46/28/68/491462868.db2.gz CCQVQYPMNSESLI-ZFWWWQNUSA-N 2 2 362.499 0.863 20 0 FCADLP CSc1cccc(N2C[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2=O)c1 ZINC000573918356 491462870 /nfs/dbraw/zinc/46/28/70/491462870.db2.gz CCQVQYPMNSESLI-ZFWWWQNUSA-N 2 2 362.499 0.863 20 0 FCADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000566732524 491463172 /nfs/dbraw/zinc/46/31/72/491463172.db2.gz ATBXAVQLZLQCJG-IRXDYDNUSA-N 2 2 365.474 0.438 20 0 FCADLP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000660338984 493344557 /nfs/dbraw/zinc/34/45/57/493344557.db2.gz HVZFWNQGDYHAFR-UHFFFAOYSA-N 2 2 371.485 0.817 20 0 FCADLP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000559335844 491465545 /nfs/dbraw/zinc/46/55/45/491465545.db2.gz AHTTZQWOTNKIFG-UHFFFAOYSA-N 2 2 365.478 0.395 20 0 FCADLP COc1ccccc1[C@@H](CNC(=O)C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000559348059 491466304 /nfs/dbraw/zinc/46/63/04/491466304.db2.gz ZNPDFMVCWUDBRI-MRXNPFEDSA-N 2 2 373.457 0.817 20 0 FCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000566817799 491469277 /nfs/dbraw/zinc/46/92/77/491469277.db2.gz TXGRFPYWQBZPAG-HNNXBMFYSA-N 2 2 365.478 0.542 20 0 FCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000566817799 491469280 /nfs/dbraw/zinc/46/92/80/491469280.db2.gz TXGRFPYWQBZPAG-HNNXBMFYSA-N 2 2 365.478 0.542 20 0 FCADLP CN1CC[NH2+]C[C@H]1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000566845212 491470333 /nfs/dbraw/zinc/47/03/33/491470333.db2.gz AIOPMFZDVYALAN-KRWDZBQOSA-N 3 2 366.554 0.140 20 0 FCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000559401416 491470612 /nfs/dbraw/zinc/47/06/12/491470612.db2.gz ADRBNUZKVQZRFA-DLBZAZTESA-N 2 2 367.453 0.705 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000559401416 491470613 /nfs/dbraw/zinc/47/06/13/491470613.db2.gz ADRBNUZKVQZRFA-DLBZAZTESA-N 2 2 367.453 0.705 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCc4nnnn4CC3)c2cc1C ZINC000566851173 491470663 /nfs/dbraw/zinc/47/06/63/491470663.db2.gz NPCNBZOJFYXYTL-LSDHHAIUSA-N 2 2 355.446 0.995 20 0 FCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCc4nnnn4CC3)c2cc1C ZINC000566851171 491470792 /nfs/dbraw/zinc/47/07/92/491470792.db2.gz NPCNBZOJFYXYTL-GJZGRUSLSA-N 2 2 355.446 0.995 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660345954 493344905 /nfs/dbraw/zinc/34/49/05/493344905.db2.gz RSLHIZUOOUQFJO-MRXNPFEDSA-N 2 2 368.522 0.897 20 0 FCADLP Cc1cc(N2CCC([NH2+]C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000566910528 491474729 /nfs/dbraw/zinc/47/47/29/491474729.db2.gz PMEQGYVCAUEKMJ-ZOBUZTSGSA-N 2 2 351.495 0.747 20 0 FCADLP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000566910524 491474765 /nfs/dbraw/zinc/47/47/65/491474765.db2.gz PMEQGYVCAUEKMJ-HLLBOEOZSA-N 2 2 351.495 0.747 20 0 FCADLP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000566910524 491474766 /nfs/dbraw/zinc/47/47/66/491474766.db2.gz PMEQGYVCAUEKMJ-HLLBOEOZSA-N 2 2 351.495 0.747 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000559475788 491476315 /nfs/dbraw/zinc/47/63/15/491476315.db2.gz QOBZJJZCJHPZTA-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000559475788 491476318 /nfs/dbraw/zinc/47/63/18/491476318.db2.gz QOBZJJZCJHPZTA-OAHLLOKOSA-N 2 2 354.495 0.156 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549434 491480266 /nfs/dbraw/zinc/48/02/66/491480266.db2.gz DMNZCKRSTPNINP-XIRDDKMYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549434 491480267 /nfs/dbraw/zinc/48/02/67/491480267.db2.gz DMNZCKRSTPNINP-XIRDDKMYSA-N 2 2 366.506 0.058 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549890 491480308 /nfs/dbraw/zinc/48/03/08/491480308.db2.gz OQHVMIVRYJZVGG-IKGGRYGDSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000559549890 491480309 /nfs/dbraw/zinc/48/03/09/491480309.db2.gz OQHVMIVRYJZVGG-IKGGRYGDSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549891 491480327 /nfs/dbraw/zinc/48/03/27/491480327.db2.gz OQHVMIVRYJZVGG-ULQDDVLXSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000559549891 491480328 /nfs/dbraw/zinc/48/03/28/491480328.db2.gz OQHVMIVRYJZVGG-ULQDDVLXSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000559551931 491480766 /nfs/dbraw/zinc/48/07/66/491480766.db2.gz BBVUGZZVWZHQAO-QGZVFWFLSA-N 2 2 368.522 0.448 20 0 FCADLP COCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574286278 491486526 /nfs/dbraw/zinc/48/65/26/491486526.db2.gz FPGSXPAPLNJCSF-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP COCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H]1C ZINC000574286278 491486527 /nfs/dbraw/zinc/48/65/27/491486527.db2.gz FPGSXPAPLNJCSF-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C[C@H]1C ZINC000574286278 491486528 /nfs/dbraw/zinc/48/65/28/491486528.db2.gz FPGSXPAPLNJCSF-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C[C@H]1C ZINC000574286278 491486529 /nfs/dbraw/zinc/48/65/29/491486529.db2.gz FPGSXPAPLNJCSF-APWZRJJASA-N 2 2 366.506 0.110 20 0 FCADLP CCOc1ccccc1C(=O)NCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567165133 491489527 /nfs/dbraw/zinc/48/95/27/491489527.db2.gz OPYFIARUUIKUTA-HNNXBMFYSA-N 2 2 362.474 0.697 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000567167862 491489847 /nfs/dbraw/zinc/48/98/47/491489847.db2.gz VKJJAMOJQWWSLP-KRWDZBQOSA-N 2 2 360.458 0.668 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000567167863 491489906 /nfs/dbraw/zinc/48/99/06/491489906.db2.gz VKJJAMOJQWWSLP-QGZVFWFLSA-N 2 2 360.458 0.668 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000567278083 491496685 /nfs/dbraw/zinc/49/66/85/491496685.db2.gz BYDTWWNHMYKNJM-IRXDYDNUSA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000567278083 491496687 /nfs/dbraw/zinc/49/66/87/491496687.db2.gz BYDTWWNHMYKNJM-IRXDYDNUSA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000567278081 491496700 /nfs/dbraw/zinc/49/67/00/491496700.db2.gz BYDTWWNHMYKNJM-DLBZAZTESA-N 2 2 366.506 0.155 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000567278081 491496702 /nfs/dbraw/zinc/49/67/02/491496702.db2.gz BYDTWWNHMYKNJM-DLBZAZTESA-N 2 2 366.506 0.155 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000574443221 491496764 /nfs/dbraw/zinc/49/67/64/491496764.db2.gz PGEGDARVZLNNHY-BZZMCLGOSA-N 2 2 371.485 0.483 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2cc[nH+]c12 ZINC000559795783 491500443 /nfs/dbraw/zinc/50/04/43/491500443.db2.gz GYHRZYJYPFZROV-UHFFFAOYSA-N 3 2 360.462 0.533 20 0 FCADLP C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000567345286 491500885 /nfs/dbraw/zinc/50/08/85/491500885.db2.gz BNZZOQKLBMPHPI-AWEZNQCLSA-N 2 2 361.895 0.663 20 0 FCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000567345286 491500886 /nfs/dbraw/zinc/50/08/86/491500886.db2.gz BNZZOQKLBMPHPI-AWEZNQCLSA-N 2 2 361.895 0.663 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000574504556 491501267 /nfs/dbraw/zinc/50/12/67/491501267.db2.gz WJZRANHVQCYDDT-INIZCTEOSA-N 2 2 354.495 0.651 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000567413532 491505538 /nfs/dbraw/zinc/50/55/38/491505538.db2.gz ODUWULYOLNNDBP-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000567413532 491505539 /nfs/dbraw/zinc/50/55/39/491505539.db2.gz ODUWULYOLNNDBP-UHFFFAOYSA-N 2 2 368.522 0.548 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000559904489 491509363 /nfs/dbraw/zinc/50/93/63/491509363.db2.gz VWXAYIAOQJPUHZ-HNNXBMFYSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528108 491512080 /nfs/dbraw/zinc/51/20/80/491512080.db2.gz KKFVDLPIZKCISE-DOTOQJQBSA-N 2 2 366.506 0.226 20 0 FCADLP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000567528108 491512081 /nfs/dbraw/zinc/51/20/81/491512081.db2.gz KKFVDLPIZKCISE-DOTOQJQBSA-N 2 2 366.506 0.226 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000567536887 491512975 /nfs/dbraw/zinc/51/29/75/491512975.db2.gz RQXFSIBUYTYVLY-MRXNPFEDSA-N 2 2 353.438 0.708 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560024396 491516121 /nfs/dbraw/zinc/51/61/21/491516121.db2.gz UCWVMPWSJDKODQ-JKSUJKDBSA-N 2 2 359.474 0.921 20 0 FCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000560024396 491516124 /nfs/dbraw/zinc/51/61/24/491516124.db2.gz UCWVMPWSJDKODQ-JKSUJKDBSA-N 2 2 359.474 0.921 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000683375100 493347678 /nfs/dbraw/zinc/34/76/78/493347678.db2.gz HTSYPGMLUJRIBC-AEFFLSMTSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683375100 493347680 /nfs/dbraw/zinc/34/76/80/493347680.db2.gz HTSYPGMLUJRIBC-AEFFLSMTSA-N 2 2 367.538 0.375 20 0 FCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000574742236 491517178 /nfs/dbraw/zinc/51/71/78/491517178.db2.gz ZIQJVFBZUWLXHS-GDBMZVCRSA-N 2 2 351.495 0.228 20 0 FCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000567614534 491518318 /nfs/dbraw/zinc/51/83/18/491518318.db2.gz WELPBEMCWAUPNQ-KRWDZBQOSA-N 2 2 371.485 0.708 20 0 FCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000567614534 491518320 /nfs/dbraw/zinc/51/83/20/491518320.db2.gz WELPBEMCWAUPNQ-KRWDZBQOSA-N 2 2 371.485 0.708 20 0 FCADLP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668398344 493347886 /nfs/dbraw/zinc/34/78/86/493347886.db2.gz BWRKTRUIODUJCH-KRWDZBQOSA-N 2 2 366.506 0.158 20 0 FCADLP CC(C)OC[C@@H](CO)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683375592 493347975 /nfs/dbraw/zinc/34/79/75/493347975.db2.gz GEORMOSLMWRSRK-DOTOQJQBSA-N 2 2 356.511 0.582 20 0 FCADLP CC(C)OC[C@@H](CO)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683375592 493347976 /nfs/dbraw/zinc/34/79/76/493347976.db2.gz GEORMOSLMWRSRK-DOTOQJQBSA-N 2 2 356.511 0.582 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000567691563 491523185 /nfs/dbraw/zinc/52/31/85/491523185.db2.gz ZOECEGVDKARYDN-IRXDYDNUSA-N 2 2 350.463 0.220 20 0 FCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000567691563 491523188 /nfs/dbraw/zinc/52/31/88/491523188.db2.gz ZOECEGVDKARYDN-IRXDYDNUSA-N 2 2 350.463 0.220 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574880477 491525471 /nfs/dbraw/zinc/52/54/71/491525471.db2.gz GQCMEBNWVONACA-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574880477 491525472 /nfs/dbraw/zinc/52/54/72/491525472.db2.gz GQCMEBNWVONACA-IYBDPMFKSA-N 2 2 368.522 0.545 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736092 491526373 /nfs/dbraw/zinc/52/63/73/491526373.db2.gz HHXGZXSFGHKSFV-OLZOCXBDSA-N 2 2 364.412 0.859 20 0 FCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000567736092 491526375 /nfs/dbraw/zinc/52/63/75/491526375.db2.gz HHXGZXSFGHKSFV-OLZOCXBDSA-N 2 2 364.412 0.859 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000574912994 491527543 /nfs/dbraw/zinc/52/75/43/491527543.db2.gz BINWBRBMBIHCKF-OAHLLOKOSA-N 2 2 355.446 0.728 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000574912994 491527544 /nfs/dbraw/zinc/52/75/44/491527544.db2.gz BINWBRBMBIHCKF-OAHLLOKOSA-N 2 2 355.446 0.728 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000574939199 491529448 /nfs/dbraw/zinc/52/94/48/491529448.db2.gz GGWLXINZXMTPFR-INWMFGNUSA-N 2 2 359.474 0.784 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000574939199 491529449 /nfs/dbraw/zinc/52/94/49/491529449.db2.gz GGWLXINZXMTPFR-INWMFGNUSA-N 2 2 359.474 0.784 20 0 FCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000567802104 491530712 /nfs/dbraw/zinc/53/07/12/491530712.db2.gz XIRWMXBJFQFNTI-BBWFWOEESA-N 2 2 366.506 0.012 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)NCC2([NH+](C)C)CCC2)CC(=O)N1C ZINC000560403204 491537909 /nfs/dbraw/zinc/53/79/09/491537909.db2.gz NFELHUVBQPOBAG-DZGCQCFKSA-N 2 2 362.478 0.723 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560505611 491542952 /nfs/dbraw/zinc/54/29/52/491542952.db2.gz PRMPLZONMUWBRM-JHDROBOHSA-N 2 2 353.507 0.693 20 0 FCADLP CC(C)[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560505611 491542954 /nfs/dbraw/zinc/54/29/54/491542954.db2.gz PRMPLZONMUWBRM-JHDROBOHSA-N 2 2 353.507 0.693 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2CC)CC1 ZINC000560501977 491543061 /nfs/dbraw/zinc/54/30/61/491543061.db2.gz POVQCAQPNMVPSU-MRXNPFEDSA-N 2 2 353.511 0.713 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2CC)CC1 ZINC000560501977 491543062 /nfs/dbraw/zinc/54/30/62/491543062.db2.gz POVQCAQPNMVPSU-MRXNPFEDSA-N 2 2 353.511 0.713 20 0 FCADLP [NH3+][C@@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)Cc1ccccc1 ZINC000567968162 491544246 /nfs/dbraw/zinc/54/42/46/491544246.db2.gz COJOPHJVBKTCQI-GOSISDBHSA-N 2 2 358.486 0.713 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](n4cc(CO)nn4)C3)cn2)CC1 ZINC000560594393 491546604 /nfs/dbraw/zinc/54/66/04/491546604.db2.gz IAPKCLYXNZQFBX-KRWDZBQOSA-N 2 2 372.477 0.149 20 0 FCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](n4cc(CO)nn4)C3)cn2)CC1 ZINC000560594393 491546605 /nfs/dbraw/zinc/54/66/05/491546605.db2.gz IAPKCLYXNZQFBX-KRWDZBQOSA-N 2 2 372.477 0.149 20 0 FCADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)CC1 ZINC000575233884 491546746 /nfs/dbraw/zinc/54/67/46/491546746.db2.gz MHHJPQCIZJHVGV-GOSISDBHSA-N 3 2 360.506 0.935 20 0 FCADLP C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000568057690 491550657 /nfs/dbraw/zinc/55/06/57/491550657.db2.gz MQUGVQLAGVRTCA-CVEARBPZSA-N 2 2 371.485 0.910 20 0 FCADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000568166857 491556854 /nfs/dbraw/zinc/55/68/54/491556854.db2.gz VRUKQHUOZYZXMI-UHFFFAOYSA-N 2 2 358.402 0.889 20 0 FCADLP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000575898644 491568577 /nfs/dbraw/zinc/56/85/77/491568577.db2.gz SDAKYQWAPGVSDK-MRXNPFEDSA-N 3 2 353.511 0.306 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000575900238 491568590 /nfs/dbraw/zinc/56/85/90/491568590.db2.gz SDXJWBGVBTWJHJ-MSOLQXFVSA-N 2 2 373.501 0.504 20 0 FCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000575900241 491568906 /nfs/dbraw/zinc/56/89/06/491568906.db2.gz SDXJWBGVBTWJHJ-ZWKOTPCHSA-N 2 2 373.501 0.504 20 0 FCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000575911225 491569570 /nfs/dbraw/zinc/56/95/70/491569570.db2.gz FRZNCXDVGNLFPO-AWEZNQCLSA-N 2 2 352.479 0.892 20 0 FCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000575911225 491569572 /nfs/dbraw/zinc/56/95/72/491569572.db2.gz FRZNCXDVGNLFPO-AWEZNQCLSA-N 2 2 352.479 0.892 20 0 FCADLP CC[N@H+](CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000561015294 491570112 /nfs/dbraw/zinc/57/01/12/491570112.db2.gz IUKFMEVVSPXQOF-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[N@@H+](CCNC(=O)C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000561015294 491570114 /nfs/dbraw/zinc/57/01/14/491570114.db2.gz IUKFMEVVSPXQOF-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000561015294 491570116 /nfs/dbraw/zinc/57/01/16/491570116.db2.gz IUKFMEVVSPXQOF-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP CC[NH+](CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000561015294 491570117 /nfs/dbraw/zinc/57/01/17/491570117.db2.gz IUKFMEVVSPXQOF-UHFFFAOYSA-N 2 2 354.495 0.156 20 0 FCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+]([C@H]3CCN(C)C3=O)CC1)CC2 ZINC000575928120 491570651 /nfs/dbraw/zinc/57/06/51/491570651.db2.gz BFRXLSXKDCFNHY-PBHICJAKSA-N 2 2 359.474 0.565 20 0 FCADLP O=C(CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)NCC[NH+]1CCOCC1 ZINC000575933881 491571229 /nfs/dbraw/zinc/57/12/29/491571229.db2.gz YMFBPRLKXXSUQC-GOSISDBHSA-N 2 2 374.485 0.073 20 0 FCADLP O=C(CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CCOCC1 ZINC000575933881 491571231 /nfs/dbraw/zinc/57/12/31/491571231.db2.gz YMFBPRLKXXSUQC-GOSISDBHSA-N 2 2 374.485 0.073 20 0 FCADLP C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C[NH2+]1 ZINC000561151762 491579209 /nfs/dbraw/zinc/57/92/09/491579209.db2.gz TZFCHJLOEYBDFY-HOTGVXAUSA-N 2 2 374.489 0.512 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000568491373 491580335 /nfs/dbraw/zinc/58/03/35/491580335.db2.gz VQPSONFNGVCELX-AEFFLSMTSA-N 2 2 362.474 0.208 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000584362454 491583037 /nfs/dbraw/zinc/58/30/37/491583037.db2.gz ZUFFQLFWTLJHAR-RDJZCZTQSA-N 2 2 360.458 0.288 20 0 FCADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000584362454 491583040 /nfs/dbraw/zinc/58/30/40/491583040.db2.gz ZUFFQLFWTLJHAR-RDJZCZTQSA-N 2 2 360.458 0.288 20 0 FCADLP C[C@H]1CC[NH2+]C[C@@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000577054388 491584316 /nfs/dbraw/zinc/58/43/16/491584316.db2.gz GNRPKOVIPSJFRH-HOTGVXAUSA-N 2 2 367.519 0.121 20 0 FCADLP C[C@H]1CC[NH2+]C[C@H]1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000577054390 491584957 /nfs/dbraw/zinc/58/49/57/491584957.db2.gz GNRPKOVIPSJFRH-JKSUJKDBSA-N 2 2 367.519 0.121 20 0 FCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000577098858 491589167 /nfs/dbraw/zinc/58/91/67/491589167.db2.gz MLUPUYCJXGQGMU-OSBBLCOHSA-N 2 2 352.479 0.557 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000561273158 491592458 /nfs/dbraw/zinc/59/24/58/491592458.db2.gz AGRCUUKIVYPNQC-ZIAGYGMSSA-N 2 2 361.471 0.795 20 0 FCADLP CC(C)Nc1nc(NCC[C@@H](C)[NH+]2CCCCC2)nc(NCCO)[nH+]1 ZINC000561276836 491593492 /nfs/dbraw/zinc/59/34/92/491593492.db2.gz JRHSFIDXYHGNLW-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)[nH+]c(NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000561276836 491593494 /nfs/dbraw/zinc/59/34/94/491593494.db2.gz JRHSFIDXYHGNLW-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP CC(C)Nc1nc(NCCO)nc(NCC[C@@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000561276836 491593496 /nfs/dbraw/zinc/59/34/96/491593496.db2.gz JRHSFIDXYHGNLW-CQSZACIVSA-N 2 2 351.499 0.038 20 0 FCADLP C[C@H](NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000577193002 491600172 /nfs/dbraw/zinc/60/01/72/491600172.db2.gz WPYUXJMEDRYGSE-NILFDRSVSA-N 2 2 350.850 0.761 20 0 FCADLP C[C@H](NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000577193002 491600176 /nfs/dbraw/zinc/60/01/76/491600176.db2.gz WPYUXJMEDRYGSE-NILFDRSVSA-N 2 2 350.850 0.761 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000576282476 491600926 /nfs/dbraw/zinc/60/09/26/491600926.db2.gz JXZXCFASKVUKHS-AWEZNQCLSA-N 2 2 361.490 0.918 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000576282476 491600927 /nfs/dbraw/zinc/60/09/27/491600927.db2.gz JXZXCFASKVUKHS-AWEZNQCLSA-N 2 2 361.490 0.918 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000576282478 491601172 /nfs/dbraw/zinc/60/11/72/491601172.db2.gz JXZXCFASKVUKHS-CQSZACIVSA-N 2 2 361.490 0.918 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000576282478 491601174 /nfs/dbraw/zinc/60/11/74/491601174.db2.gz JXZXCFASKVUKHS-CQSZACIVSA-N 2 2 361.490 0.918 20 0 FCADLP C[C@H]([C@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000561366592 491601188 /nfs/dbraw/zinc/60/11/88/491601188.db2.gz FXBYRRLAXSUOGY-ARFHVFGLSA-N 2 2 368.522 0.401 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000561530337 491614465 /nfs/dbraw/zinc/61/44/65/491614465.db2.gz GMZHSAVVLKDJQF-HNNXBMFYSA-N 2 2 351.451 0.054 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396947 491618763 /nfs/dbraw/zinc/61/87/63/491618763.db2.gz UWRQSKAHIAGCPF-CHWSQXEVSA-N 2 2 365.478 0.027 20 0 FCADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(=O)n(C)c1=O ZINC000577396947 491618766 /nfs/dbraw/zinc/61/87/66/491618766.db2.gz UWRQSKAHIAGCPF-CHWSQXEVSA-N 2 2 365.478 0.027 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000561623314 491621263 /nfs/dbraw/zinc/62/12/63/491621263.db2.gz KOZOUBNJYJSETB-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000576520694 491621584 /nfs/dbraw/zinc/62/15/84/491621584.db2.gz NPHKQYLUTUFPNO-INIZCTEOSA-N 3 2 367.538 0.071 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522582 491622076 /nfs/dbraw/zinc/62/20/76/491622076.db2.gz SVEMMTZOFNDIIA-FUHIMQAGSA-N 2 2 374.485 0.999 20 0 FCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000576522582 491622077 /nfs/dbraw/zinc/62/20/77/491622077.db2.gz SVEMMTZOFNDIIA-FUHIMQAGSA-N 2 2 374.485 0.999 20 0 FCADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000576534908 491623099 /nfs/dbraw/zinc/62/30/99/491623099.db2.gz GYMGJKFBXIFWMZ-MRXNPFEDSA-N 2 2 354.495 0.015 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)C1 ZINC000577445451 491623057 /nfs/dbraw/zinc/62/30/57/491623057.db2.gz YYBNPOUVONBPRO-ZIFCJYIRSA-N 2 2 366.550 0.754 20 0 FCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)C1 ZINC000577445451 491623060 /nfs/dbraw/zinc/62/30/60/491623060.db2.gz YYBNPOUVONBPRO-ZIFCJYIRSA-N 2 2 366.550 0.754 20 0 FCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000577483466 491625384 /nfs/dbraw/zinc/62/53/84/491625384.db2.gz UIEILGRPATVMBN-QZTJIDSGSA-N 2 2 374.485 0.635 20 0 FCADLP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594368 491628106 /nfs/dbraw/zinc/62/81/06/491628106.db2.gz UONFWZCZYGYZAL-IBGZPJMESA-N 3 2 356.555 0.416 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000576594368 491628109 /nfs/dbraw/zinc/62/81/09/491628109.db2.gz UONFWZCZYGYZAL-IBGZPJMESA-N 3 2 356.555 0.416 20 0 FCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000569094751 491633041 /nfs/dbraw/zinc/63/30/41/491633041.db2.gz RTLCDIPCDGTFEI-UKRRQHHQSA-N 2 2 350.488 0.636 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000569128976 491636317 /nfs/dbraw/zinc/63/63/17/491636317.db2.gz PNDYWLIBPQFRIY-OAGGEKHMSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000569128976 491636320 /nfs/dbraw/zinc/63/63/20/491636320.db2.gz PNDYWLIBPQFRIY-OAGGEKHMSA-N 2 2 359.474 0.880 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000577724929 491645894 /nfs/dbraw/zinc/64/58/94/491645894.db2.gz OZPXRHXLJTWFAV-SJORKVTESA-N 2 2 363.506 0.182 20 0 FCADLP [NH3+][C@H]1C[C@@H]2CN(Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000569259723 491646974 /nfs/dbraw/zinc/64/69/74/491646974.db2.gz JOVQEEIZGFYHFI-YPMHNXCESA-N 2 2 364.247 0.841 20 0 FCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000562029139 491648641 /nfs/dbraw/zinc/64/86/41/491648641.db2.gz BGOSNRLAIHQORV-BRWVUGGUSA-N 2 2 366.506 0.299 20 0 FCADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000577747437 491648659 /nfs/dbraw/zinc/64/86/59/491648659.db2.gz YEHXYFJRGBXFGP-SJORKVTESA-N 3 2 366.531 0.982 20 0 FCADLP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000576846852 491649684 /nfs/dbraw/zinc/64/96/84/491649684.db2.gz RMQSYHAIBZMTPU-MRXNPFEDSA-N 2 2 373.457 0.320 20 0 FCADLP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000576846852 491649685 /nfs/dbraw/zinc/64/96/85/491649685.db2.gz RMQSYHAIBZMTPU-MRXNPFEDSA-N 2 2 373.457 0.320 20 0 FCADLP COCC[C@]1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559008 493358796 /nfs/dbraw/zinc/35/87/96/493358796.db2.gz JLRTUEQXNSZEAB-QAPCUYQASA-N 2 2 354.495 0.650 20 0 FCADLP COCC[C@]1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559008 493358800 /nfs/dbraw/zinc/35/88/00/493358800.db2.gz JLRTUEQXNSZEAB-QAPCUYQASA-N 2 2 354.495 0.650 20 0 FCADLP COCC[C@@]1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559006 493359127 /nfs/dbraw/zinc/35/91/27/493359127.db2.gz JLRTUEQXNSZEAB-MAUKXSAKSA-N 2 2 354.495 0.650 20 0 FCADLP COCC[C@@]1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000683559006 493359129 /nfs/dbraw/zinc/35/91/29/493359129.db2.gz JLRTUEQXNSZEAB-MAUKXSAKSA-N 2 2 354.495 0.650 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000569452800 491662813 /nfs/dbraw/zinc/66/28/13/491662813.db2.gz OVNSYCYKPKUQOI-INIZCTEOSA-N 2 2 354.401 0.633 20 0 FCADLP COCCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1CC[NH+](C)CC1 ZINC000578184381 491671739 /nfs/dbraw/zinc/67/17/39/491671739.db2.gz LEWQRQWXOOESQH-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP COCCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1CC[NH+](C)CC1 ZINC000578184381 491671740 /nfs/dbraw/zinc/67/17/40/491671740.db2.gz LEWQRQWXOOESQH-UHFFFAOYSA-N 2 2 356.511 0.402 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000578227562 491672619 /nfs/dbraw/zinc/67/26/19/491672619.db2.gz SLZNAIAFLCIVFT-CQSZACIVSA-N 2 2 359.474 0.479 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000578227562 491672620 /nfs/dbraw/zinc/67/26/20/491672620.db2.gz SLZNAIAFLCIVFT-CQSZACIVSA-N 2 2 359.474 0.479 20 0 FCADLP C[C@@H]1CC2(CN1C(=O)C(=O)NC[C@@H]1CCCn3cc[nH+]c31)CC[NH2+]CC2 ZINC000578498593 491678520 /nfs/dbraw/zinc/67/85/20/491678520.db2.gz AJPZEROBBGIHHQ-CABCVRRESA-N 2 2 359.474 0.867 20 0 FCADLP CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C[NH2+]C3CC3)c2)CC1 ZINC000578870520 491686214 /nfs/dbraw/zinc/68/62/14/491686214.db2.gz CANCHSJBAXMLKD-UHFFFAOYSA-N 2 2 366.487 0.703 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000578933559 491687437 /nfs/dbraw/zinc/68/74/37/491687437.db2.gz UOQDDUCEGJZOHF-HOCLYGCPSA-N 2 2 359.474 0.880 20 0 FCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000578933559 491687438 /nfs/dbraw/zinc/68/74/38/491687438.db2.gz UOQDDUCEGJZOHF-HOCLYGCPSA-N 2 2 359.474 0.880 20 0 FCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000578981035 491688139 /nfs/dbraw/zinc/68/81/39/491688139.db2.gz AYMOEGMDEUYVDG-NXOAAHMSSA-N 2 2 366.506 0.380 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000578992516 491688435 /nfs/dbraw/zinc/68/84/35/491688435.db2.gz OFZJQCYCXDGTKG-AITUJVMLSA-N 3 2 353.470 0.997 20 0 FCADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000578992519 491688513 /nfs/dbraw/zinc/68/85/13/491688513.db2.gz OFZJQCYCXDGTKG-OWYHZJEWSA-N 3 2 353.470 0.997 20 0 FCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000579012149 491689179 /nfs/dbraw/zinc/68/91/79/491689179.db2.gz OOWCDJYSECYVIX-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000579012149 491689180 /nfs/dbraw/zinc/68/91/80/491689180.db2.gz OOWCDJYSECYVIX-MRXNPFEDSA-N 2 2 368.522 0.594 20 0 FCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000579364525 491696443 /nfs/dbraw/zinc/69/64/43/491696443.db2.gz LURBQKVNLHYJDF-LSDHHAIUSA-N 2 2 361.490 0.819 20 0 FCADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000579364525 491696444 /nfs/dbraw/zinc/69/64/44/491696444.db2.gz LURBQKVNLHYJDF-LSDHHAIUSA-N 2 2 361.490 0.819 20 0 FCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000579382812 491696890 /nfs/dbraw/zinc/69/68/90/491696890.db2.gz SRWBATXWDCBPBX-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000579382812 491696891 /nfs/dbraw/zinc/69/68/91/491696891.db2.gz SRWBATXWDCBPBX-HZPDHXFCSA-N 2 2 354.495 0.014 20 0 FCADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCCO ZINC000579456350 491698183 /nfs/dbraw/zinc/69/81/83/491698183.db2.gz MWOCYWPWBCKQRK-INMHGKMJSA-N 2 2 368.474 0.626 20 0 FCADLP COc1ccc(CCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000579691919 491703003 /nfs/dbraw/zinc/70/30/03/491703003.db2.gz YULBGPQKPSZJEC-HNNXBMFYSA-N 2 2 350.463 0.921 20 0 FCADLP COc1ccc(CCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000579691919 491703004 /nfs/dbraw/zinc/70/30/04/491703004.db2.gz YULBGPQKPSZJEC-HNNXBMFYSA-N 2 2 350.463 0.921 20 0 FCADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000579691613 491703044 /nfs/dbraw/zinc/70/30/44/491703044.db2.gz SRPNCKQHVNBHNR-ZDUSSCGKSA-N 2 2 370.379 0.970 20 0 FCADLP CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000579740230 491704545 /nfs/dbraw/zinc/70/45/45/491704545.db2.gz WKWZOTWFZKSGAY-HZPDHXFCSA-N 2 2 356.511 0.447 20 0 FCADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000579842189 491706646 /nfs/dbraw/zinc/70/66/46/491706646.db2.gz BJBCCHJTTUSVSI-UHFFFAOYSA-N 2 2 362.478 0.046 20 0 FCADLP CN(C)c1ncn(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2)n1 ZINC000584578519 491708008 /nfs/dbraw/zinc/70/80/08/491708008.db2.gz ICCVWJLGNXJNSJ-HNNXBMFYSA-N 2 2 358.450 0.440 20 0 FCADLP CN(C)c1ncn(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2)n1 ZINC000584578519 491708009 /nfs/dbraw/zinc/70/80/09/491708009.db2.gz ICCVWJLGNXJNSJ-HNNXBMFYSA-N 2 2 358.450 0.440 20 0 FCADLP Cc1nc(N2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)cc[nH+]1 ZINC000584589343 491708737 /nfs/dbraw/zinc/70/87/37/491708737.db2.gz MDVXFXNFVFMEII-MRXNPFEDSA-N 2 2 355.446 0.868 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579935940 491709637 /nfs/dbraw/zinc/70/96/37/491709637.db2.gz YAFFIRROTMUVCN-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579935940 491709638 /nfs/dbraw/zinc/70/96/38/491709638.db2.gz YAFFIRROTMUVCN-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000586788849 491732727 /nfs/dbraw/zinc/73/27/27/491732727.db2.gz LGWUOSVYJDCHGD-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000586788849 491732729 /nfs/dbraw/zinc/73/27/29/491732729.db2.gz LGWUOSVYJDCHGD-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000586788849 491732731 /nfs/dbraw/zinc/73/27/31/491732731.db2.gz LGWUOSVYJDCHGD-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000586788849 491732733 /nfs/dbraw/zinc/73/27/33/491732733.db2.gz LGWUOSVYJDCHGD-UHFFFAOYSA-N 2 2 355.527 0.422 20 0 FCADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000580632249 491739205 /nfs/dbraw/zinc/73/92/05/491739205.db2.gz ZHKHXHQWCZOWLI-HNNXBMFYSA-N 2 2 351.495 0.230 20 0 FCADLP CC[C@H](CSC)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000588236376 491742833 /nfs/dbraw/zinc/74/28/33/491742833.db2.gz JZCUBXYYMDWIND-HUUCEWRRSA-N 2 2 370.563 0.871 20 0 FCADLP CC[C@H](CSC)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000588236376 491742834 /nfs/dbraw/zinc/74/28/34/491742834.db2.gz JZCUBXYYMDWIND-HUUCEWRRSA-N 2 2 370.563 0.871 20 0 FCADLP Cc1cccn2cc(CC(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)[nH+]c12 ZINC000588361963 491744713 /nfs/dbraw/zinc/74/47/13/491744713.db2.gz NEWSCDFYJGYWFI-QGZVFWFLSA-N 2 2 369.469 0.950 20 0 FCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000580819436 491746974 /nfs/dbraw/zinc/74/69/74/491746974.db2.gz WACLEYZERLLKBH-UHFFFAOYSA-N 2 2 364.515 0.945 20 0 FCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000580819436 491746976 /nfs/dbraw/zinc/74/69/76/491746976.db2.gz WACLEYZERLLKBH-UHFFFAOYSA-N 2 2 364.515 0.945 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000580849442 491748800 /nfs/dbraw/zinc/74/88/00/491748800.db2.gz DTYXEJUORLLWMJ-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000580849442 491748802 /nfs/dbraw/zinc/74/88/02/491748802.db2.gz DTYXEJUORLLWMJ-MRXNPFEDSA-N 2 2 358.486 0.714 20 0 FCADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000580893105 491750755 /nfs/dbraw/zinc/75/07/55/491750755.db2.gz OFRYIXZMDXIXLW-YJBOKZPZSA-N 2 2 374.485 0.457 20 0 FCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000581080605 491758882 /nfs/dbraw/zinc/75/88/82/491758882.db2.gz WDOWSUFWCFEYAD-KURKYZTESA-N 3 2 357.539 0.889 20 0 FCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000581080605 491758883 /nfs/dbraw/zinc/75/88/83/491758883.db2.gz WDOWSUFWCFEYAD-KURKYZTESA-N 3 2 357.539 0.889 20 0 FCADLP Cc1cccn2cc(CCNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[nH+]c12 ZINC000673747042 493360704 /nfs/dbraw/zinc/36/07/04/493360704.db2.gz OKSNJMMWFCAGTM-OAHLLOKOSA-N 2 2 357.458 0.712 20 0 FCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000581250009 491766007 /nfs/dbraw/zinc/76/60/07/491766007.db2.gz WOOOCPJLKAUEJM-UHFFFAOYSA-N 2 2 371.445 0.995 20 0 FCADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cn2c1 ZINC000581582043 491778578 /nfs/dbraw/zinc/77/85/78/491778578.db2.gz RCQWKOCANCYCIC-GOSISDBHSA-N 2 2 361.446 0.525 20 0 FCADLP CC1=CC[N@H+](CCNC(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000582010089 491794315 /nfs/dbraw/zinc/79/43/15/491794315.db2.gz CRXXHIZWINPURU-UHFFFAOYSA-N 2 2 373.379 0.830 20 0 FCADLP CC1=CC[N@@H+](CCNC(=O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000582010089 491794316 /nfs/dbraw/zinc/79/43/16/491794316.db2.gz CRXXHIZWINPURU-UHFFFAOYSA-N 2 2 373.379 0.830 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591083095 491795617 /nfs/dbraw/zinc/79/56/17/491795617.db2.gz OCRCDMSIUTZZBU-CQSZACIVSA-N 2 2 363.443 0.806 20 0 FCADLP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591083095 491795618 /nfs/dbraw/zinc/79/56/18/491795618.db2.gz OCRCDMSIUTZZBU-CQSZACIVSA-N 2 2 363.443 0.806 20 0 FCADLP CCOC(=O)c1sc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000591355076 491803816 /nfs/dbraw/zinc/80/38/16/491803816.db2.gz URGVVZQIWZQEPC-NSHDSACASA-N 2 2 355.464 0.413 20 0 FCADLP CCOC(=O)c1sc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000591355076 491803818 /nfs/dbraw/zinc/80/38/18/491803818.db2.gz URGVVZQIWZQEPC-NSHDSACASA-N 2 2 355.464 0.413 20 0 FCADLP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000582295510 491806277 /nfs/dbraw/zinc/80/62/77/491806277.db2.gz VVOGKGRKADAYPO-UHFFFAOYSA-N 2 2 364.515 0.850 20 0 FCADLP CC[N@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1Cl ZINC000582312388 491807093 /nfs/dbraw/zinc/80/70/93/491807093.db2.gz WIFQONICKXMBAQ-GDBMZVCRSA-N 2 2 364.877 0.932 20 0 FCADLP CC[N@@H+](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)Cc1ccccc1Cl ZINC000582312388 491807095 /nfs/dbraw/zinc/80/70/95/491807095.db2.gz WIFQONICKXMBAQ-GDBMZVCRSA-N 2 2 364.877 0.932 20 0 FCADLP COC1(CO)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000683676521 493364878 /nfs/dbraw/zinc/36/48/78/493364878.db2.gz ZJOKHRSHGPOILJ-UHFFFAOYSA-N 2 2 351.447 0.397 20 0 FCADLP O=C([C@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1)N1CC[NH2+]CC1 ZINC000582360761 491809184 /nfs/dbraw/zinc/80/91/84/491809184.db2.gz IDDLQHPEYMHYKU-HNNXBMFYSA-N 2 2 363.462 0.607 20 0 FCADLP O=C([C@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1)N1CC[NH2+]CC1 ZINC000582360761 491809185 /nfs/dbraw/zinc/80/91/85/491809185.db2.gz IDDLQHPEYMHYKU-HNNXBMFYSA-N 2 2 363.462 0.607 20 0 FCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000673837050 493365540 /nfs/dbraw/zinc/36/55/40/493365540.db2.gz CUGJHVHUZOJRDE-CYBMUJFWSA-N 2 2 360.462 0.875 20 0 FCADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C1 ZINC000673837050 493365544 /nfs/dbraw/zinc/36/55/44/493365544.db2.gz CUGJHVHUZOJRDE-CYBMUJFWSA-N 2 2 360.462 0.875 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1C[NH3+] ZINC000582779453 491826382 /nfs/dbraw/zinc/82/63/82/491826382.db2.gz CKGDWWUWMLSIME-GDBMZVCRSA-N 2 2 364.515 0.836 20 0 FCADLP C[N@H+]1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C[NH3+])C1 ZINC000582784911 491826697 /nfs/dbraw/zinc/82/66/97/491826697.db2.gz WUHXMMARZMELGU-AWEZNQCLSA-N 2 2 369.487 0.350 20 0 FCADLP [NH3+]Cc1cn([C@H]2CCCN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)C2)nn1 ZINC000583138530 491838790 /nfs/dbraw/zinc/83/87/90/491838790.db2.gz WOLIAJCDZYVIEM-YPMHNXCESA-N 2 2 357.409 0.328 20 0 FCADLP COc1ccc([C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000583497514 491846204 /nfs/dbraw/zinc/84/62/04/491846204.db2.gz RTQAVPFWSIVWDI-WBVHZDCISA-N 2 2 371.441 0.503 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000583637729 491849194 /nfs/dbraw/zinc/84/91/94/491849194.db2.gz NZSJRVBPSXQVGW-MRXNPFEDSA-N 2 2 361.490 0.869 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000583637729 491849195 /nfs/dbraw/zinc/84/91/95/491849195.db2.gz NZSJRVBPSXQVGW-MRXNPFEDSA-N 2 2 361.490 0.869 20 0 FCADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)[NH+]1CCOCC1 ZINC000583674884 491849865 /nfs/dbraw/zinc/84/98/65/491849865.db2.gz GHMDXJKKITYDQA-BRWVUGGUSA-N 2 2 353.507 0.839 20 0 FCADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)[NH+]1CCOCC1 ZINC000583674884 491849866 /nfs/dbraw/zinc/84/98/66/491849866.db2.gz GHMDXJKKITYDQA-BRWVUGGUSA-N 2 2 353.507 0.839 20 0 FCADLP CN1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000583920788 491854607 /nfs/dbraw/zinc/85/46/07/491854607.db2.gz IUCZKAZATJSEDZ-QZTJIDSGSA-N 2 2 361.490 0.172 20 0 FCADLP CN1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C[NH3+])C1 ZINC000583920788 491854608 /nfs/dbraw/zinc/85/46/08/491854608.db2.gz IUCZKAZATJSEDZ-QZTJIDSGSA-N 2 2 361.490 0.172 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000584118085 491859078 /nfs/dbraw/zinc/85/90/78/491859078.db2.gz GRVJOCHBSKPLSS-KRWDZBQOSA-N 2 2 371.503 0.362 20 0 FCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000584118085 491859079 /nfs/dbraw/zinc/85/90/79/491859079.db2.gz GRVJOCHBSKPLSS-KRWDZBQOSA-N 2 2 371.503 0.362 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC000584126515 491859192 /nfs/dbraw/zinc/85/91/92/491859192.db2.gz KJUMHAGGGADVCE-SOUVJXGZSA-N 2 2 350.463 0.940 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC000584126515 491859193 /nfs/dbraw/zinc/85/91/93/491859193.db2.gz KJUMHAGGGADVCE-SOUVJXGZSA-N 2 2 350.463 0.940 20 0 FCADLP COC1(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC[NH2+]CC1 ZINC000584232610 491861171 /nfs/dbraw/zinc/86/11/71/491861171.db2.gz CIMOLASHCGYCPG-HOTGVXAUSA-N 2 2 367.469 0.560 20 0 FCADLP COC1(C(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC[NH2+]CC1 ZINC000584232610 491861172 /nfs/dbraw/zinc/86/11/72/491861172.db2.gz CIMOLASHCGYCPG-HOTGVXAUSA-N 2 2 367.469 0.560 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1 ZINC000584239437 491861328 /nfs/dbraw/zinc/86/13/28/491861328.db2.gz ALUDDOWBOQIULA-DZGCQCFKSA-N 2 2 359.492 0.184 20 0 FCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1 ZINC000584239437 491861329 /nfs/dbraw/zinc/86/13/29/491861329.db2.gz ALUDDOWBOQIULA-DZGCQCFKSA-N 2 2 359.492 0.184 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000584341255 491863235 /nfs/dbraw/zinc/86/32/35/491863235.db2.gz UCIRJCXEEYEPHJ-LUKYLMHMSA-N 2 2 366.506 0.474 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584341285 491863333 /nfs/dbraw/zinc/86/33/33/491863333.db2.gz ZVLUDVRDEWHYQW-SFHVURJKSA-N 2 2 374.485 0.119 20 0 FCADLP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584341285 491863334 /nfs/dbraw/zinc/86/33/34/491863334.db2.gz ZVLUDVRDEWHYQW-SFHVURJKSA-N 2 2 374.485 0.119 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875904 491869477 /nfs/dbraw/zinc/86/94/77/491869477.db2.gz NYZIFAXRJNROOM-SQWLQELKSA-N 2 2 360.458 0.458 20 0 FCADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875904 491869479 /nfs/dbraw/zinc/86/94/79/491869479.db2.gz NYZIFAXRJNROOM-SQWLQELKSA-N 2 2 360.458 0.458 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876300 491869849 /nfs/dbraw/zinc/86/98/49/491869849.db2.gz QHLCXVXTAIWGRM-NILFDRSVSA-N 2 2 366.824 0.828 20 0 FCADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CCN2C1=O ZINC000594876300 491869850 /nfs/dbraw/zinc/86/98/50/491869850.db2.gz QHLCXVXTAIWGRM-NILFDRSVSA-N 2 2 366.824 0.828 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000611975158 491887128 /nfs/dbraw/zinc/88/71/28/491887128.db2.gz XJRRWLLVEPMFPI-BRWVUGGUSA-N 2 2 350.507 0.824 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612044817 491894690 /nfs/dbraw/zinc/89/46/90/491894690.db2.gz OQPPJGGSCPDSLH-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612044817 491894693 /nfs/dbraw/zinc/89/46/93/491894693.db2.gz OQPPJGGSCPDSLH-BRWVUGGUSA-N 2 2 364.490 0.053 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)CCN2C1=O ZINC000595265753 491908994 /nfs/dbraw/zinc/90/89/94/491908994.db2.gz CKUHFPYFWGPRKD-HZPDHXFCSA-N 2 2 372.473 0.525 20 0 FCADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCN2C1=O ZINC000595265800 491909319 /nfs/dbraw/zinc/90/93/19/491909319.db2.gz HLRWWJRUADTGKN-HZPDHXFCSA-N 2 2 372.473 0.525 20 0 FCADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000601405386 491914488 /nfs/dbraw/zinc/91/44/88/491914488.db2.gz OSLGJXYSKYCGLE-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000601405386 491914490 /nfs/dbraw/zinc/91/44/90/491914490.db2.gz OSLGJXYSKYCGLE-CQSZACIVSA-N 2 2 351.451 0.154 20 0 FCADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612781747 491950756 /nfs/dbraw/zinc/95/07/56/491950756.db2.gz NVLVHUWXZMYRPA-UHFFFAOYSA-N 2 2 366.506 0.015 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975234 491960622 /nfs/dbraw/zinc/96/06/22/491960622.db2.gz CPTRBARWBJEXOY-HOTGVXAUSA-N 2 2 363.506 0.467 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCN3C(=O)CCC3=O)C2)CC1 ZINC000602194321 491966834 /nfs/dbraw/zinc/96/68/34/491966834.db2.gz GTSXNQJMEBLXCH-AWEZNQCLSA-N 2 2 350.463 0.200 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCN3C(=O)CCC3=O)C2)CC1 ZINC000602194321 491966835 /nfs/dbraw/zinc/96/68/35/491966835.db2.gz GTSXNQJMEBLXCH-AWEZNQCLSA-N 2 2 350.463 0.200 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204450 491968282 /nfs/dbraw/zinc/96/82/82/491968282.db2.gz IHACTVNQQBBCJK-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C2)CC1 ZINC000602204450 491968285 /nfs/dbraw/zinc/96/82/85/491968285.db2.gz IHACTVNQQBBCJK-LSDHHAIUSA-N 2 2 350.507 0.918 20 0 FCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1CN1CCCC1=O ZINC000613555309 491986391 /nfs/dbraw/zinc/98/63/91/491986391.db2.gz KWFHDRSSCQHIFC-QZTJIDSGSA-N 2 2 356.470 0.576 20 0 FCADLP COC(=O)c1csc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000602595597 491993684 /nfs/dbraw/zinc/99/36/84/491993684.db2.gz ZVWGYTHSICFOFQ-CQSZACIVSA-N 2 2 367.471 0.557 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)CC1 ZINC000604186068 492053742 /nfs/dbraw/zinc/05/37/42/492053742.db2.gz HQTIVCHWYZENCG-HNNXBMFYSA-N 2 2 351.495 0.513 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)CC1 ZINC000604186068 492053744 /nfs/dbraw/zinc/05/37/44/492053744.db2.gz HQTIVCHWYZENCG-HNNXBMFYSA-N 2 2 351.495 0.513 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)CC1 ZINC000604196159 492054554 /nfs/dbraw/zinc/05/45/54/492054554.db2.gz DAUPIWWLHDFXRO-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOC[C@@H]3CCOC3)C2)CC1 ZINC000604196159 492054557 /nfs/dbraw/zinc/05/45/57/492054557.db2.gz DAUPIWWLHDFXRO-HZPDHXFCSA-N 2 2 354.495 0.507 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604643475 492065708 /nfs/dbraw/zinc/06/57/08/492065708.db2.gz MPJVGKTXUDNESV-QGZVFWFLSA-N 2 2 364.494 0.369 20 0 FCADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643475 492065710 /nfs/dbraw/zinc/06/57/10/492065710.db2.gz MPJVGKTXUDNESV-QGZVFWFLSA-N 2 2 364.494 0.369 20 0 FCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615093974 492072831 /nfs/dbraw/zinc/07/28/31/492072831.db2.gz BGJMDYITJWKGNS-IRXDYDNUSA-N 2 2 368.547 0.043 20 0 FCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615093974 492072835 /nfs/dbraw/zinc/07/28/35/492072835.db2.gz BGJMDYITJWKGNS-IRXDYDNUSA-N 2 2 368.547 0.043 20 0 FCADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000598323331 492094987 /nfs/dbraw/zinc/09/49/87/492094987.db2.gz FWQGHZJWWVCDSU-INIZCTEOSA-N 2 2 362.478 0.782 20 0 FCADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000605985841 492110356 /nfs/dbraw/zinc/11/03/56/492110356.db2.gz PHOKQZUXAOPEEQ-ROUUACIJSA-N 2 2 367.538 0.255 20 0 FCADLP C[C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000606716228 492128179 /nfs/dbraw/zinc/12/81/79/492128179.db2.gz NSQWLAPPDLXBTP-SJORKVTESA-N 2 2 354.495 0.461 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(C)(C)CO ZINC000616868906 492146896 /nfs/dbraw/zinc/14/68/96/492146896.db2.gz WWZMBUCFEKUCDI-ZFWWWQNUSA-N 2 2 365.478 0.006 20 0 FCADLP Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000608685871 492186635 /nfs/dbraw/zinc/18/66/35/492186635.db2.gz GWZBQHZRBJFIRT-HNNXBMFYSA-N 2 2 374.489 0.017 20 0 FCADLP Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000608685871 492186636 /nfs/dbraw/zinc/18/66/36/492186636.db2.gz GWZBQHZRBJFIRT-HNNXBMFYSA-N 2 2 374.489 0.017 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000599587810 492191625 /nfs/dbraw/zinc/19/16/25/492191625.db2.gz HKVQNHWELBRYKG-IAGOWNOFSA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000599587810 492191626 /nfs/dbraw/zinc/19/16/26/492191626.db2.gz HKVQNHWELBRYKG-IAGOWNOFSA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000599587814 492191930 /nfs/dbraw/zinc/19/19/30/492191930.db2.gz HKVQNHWELBRYKG-SJORKVTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000599587814 492191932 /nfs/dbraw/zinc/19/19/32/492191932.db2.gz HKVQNHWELBRYKG-SJORKVTESA-N 2 2 369.506 0.829 20 0 FCADLP COC(=O)[C@@H](C)C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000608863013 492194832 /nfs/dbraw/zinc/19/48/32/492194832.db2.gz SITAROOHKIHFOC-AWEZNQCLSA-N 2 2 355.479 0.487 20 0 FCADLP COC(=O)[C@@H](C)C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000608863013 492194833 /nfs/dbraw/zinc/19/48/33/492194833.db2.gz SITAROOHKIHFOC-AWEZNQCLSA-N 2 2 355.479 0.487 20 0 FCADLP O=C(NC1CC1)c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000647518944 492302480 /nfs/dbraw/zinc/30/24/80/492302480.db2.gz CHBGWPVPSXSYDL-SFHVURJKSA-N 2 2 356.470 0.975 20 0 FCADLP O=C(NC1CC1)c1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000647518944 492302483 /nfs/dbraw/zinc/30/24/83/492302483.db2.gz CHBGWPVPSXSYDL-SFHVURJKSA-N 2 2 356.470 0.975 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000627478346 492314830 /nfs/dbraw/zinc/31/48/30/492314830.db2.gz LJLAMZDOTBTFAE-AEFFLSMTSA-N 2 2 358.486 0.896 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568020 492315382 /nfs/dbraw/zinc/31/53/82/492315382.db2.gz FSPRNNYZBKCXJS-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CCCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568020 492315386 /nfs/dbraw/zinc/31/53/86/492315386.db2.gz FSPRNNYZBKCXJS-IAGOWNOFSA-N 2 2 366.506 0.252 20 0 FCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547605 492319043 /nfs/dbraw/zinc/31/90/43/492319043.db2.gz HMJGTWPIMWLZNS-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000654547605 492319046 /nfs/dbraw/zinc/31/90/46/492319046.db2.gz HMJGTWPIMWLZNS-DLBZAZTESA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193666 492325225 /nfs/dbraw/zinc/32/52/25/492325225.db2.gz LTKSZVRTVLVEIO-OAHLLOKOSA-N 2 2 369.491 0.346 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627509142 492326928 /nfs/dbraw/zinc/32/69/28/492326928.db2.gz MWQZCFQMHLVXCV-UHFFFAOYSA-N 2 2 368.457 0.276 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(CCF)c1 ZINC000627509142 492326930 /nfs/dbraw/zinc/32/69/30/492326930.db2.gz MWQZCFQMHLVXCV-UHFFFAOYSA-N 2 2 368.457 0.276 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)[C@H]1c1[nH+]ccn1C ZINC000627524644 492332302 /nfs/dbraw/zinc/33/23/02/492332302.db2.gz SGPPBONOGRVUFR-VRKREXBASA-N 2 2 363.462 0.260 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634298641 492335242 /nfs/dbraw/zinc/33/52/42/492335242.db2.gz WLPUFRUYFUXMNI-DLBZAZTESA-N 2 2 365.522 0.857 20 0 FCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642105146 492335361 /nfs/dbraw/zinc/33/53/61/492335361.db2.gz IJGFWLBJZBXAMP-GDBMZVCRSA-N 2 2 353.426 0.699 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654729797 492343751 /nfs/dbraw/zinc/34/37/51/492343751.db2.gz JVPBDGNUSWQKBV-YESZJQIVSA-N 2 2 354.495 0.338 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654729797 492343754 /nfs/dbraw/zinc/34/37/54/492343754.db2.gz JVPBDGNUSWQKBV-YESZJQIVSA-N 2 2 354.495 0.338 20 0 FCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642257102 492347102 /nfs/dbraw/zinc/34/71/02/492347102.db2.gz URAALPMRMGDNBU-UKRRQHHQSA-N 2 2 362.499 0.433 20 0 FCADLP O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642257102 492347107 /nfs/dbraw/zinc/34/71/07/492347107.db2.gz URAALPMRMGDNBU-UKRRQHHQSA-N 2 2 362.499 0.433 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000654772927 492349159 /nfs/dbraw/zinc/34/91/59/492349159.db2.gz FONGJKMXQLLTDS-IXDOHACOSA-N 2 2 352.523 0.924 20 0 FCADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000654772925 492349766 /nfs/dbraw/zinc/34/97/66/492349766.db2.gz FONGJKMXQLLTDS-BRWVUGGUSA-N 2 2 352.523 0.924 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000642327646 492351124 /nfs/dbraw/zinc/35/11/24/492351124.db2.gz SSTILAILMHSJJL-ZTFGCOKTSA-N 2 2 356.470 0.623 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000642337425 492352275 /nfs/dbraw/zinc/35/22/75/492352275.db2.gz ACPKTHBRXJTXNB-TWMKSMIVSA-N 2 2 366.506 0.332 20 0 FCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000642337505 492353114 /nfs/dbraw/zinc/35/31/14/492353114.db2.gz RRTJDGCCBAZQRY-IXDOHACOSA-N 2 2 368.522 0.578 20 0 FCADLP CCNC(=O)C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634641023 492357618 /nfs/dbraw/zinc/35/76/18/492357618.db2.gz LLYYXIGVXGMDET-HXUWFJFHSA-N 2 2 360.502 0.377 20 0 FCADLP CCNC(=O)C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634641023 492357620 /nfs/dbraw/zinc/35/76/20/492357620.db2.gz LLYYXIGVXGMDET-HXUWFJFHSA-N 2 2 360.502 0.377 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634638754 492357732 /nfs/dbraw/zinc/35/77/32/492357732.db2.gz VEWUKDNIAFGNRS-FQEVSTJZSA-N 2 2 360.502 0.329 20 0 FCADLP CN(C)C(=O)C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634638754 492357736 /nfs/dbraw/zinc/35/77/36/492357736.db2.gz VEWUKDNIAFGNRS-FQEVSTJZSA-N 2 2 360.502 0.329 20 0 FCADLP COCC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634642095 492357816 /nfs/dbraw/zinc/35/78/16/492357816.db2.gz FAVSGAFPNIXUPJ-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP COCC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634642095 492357820 /nfs/dbraw/zinc/35/78/20/492357820.db2.gz FAVSGAFPNIXUPJ-FQEVSTJZSA-N 2 2 361.486 0.850 20 0 FCADLP CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634699045 492360702 /nfs/dbraw/zinc/36/07/02/492360702.db2.gz DNYIHWNCTGEJOS-GOSISDBHSA-N 2 2 369.531 0.931 20 0 FCADLP CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699045 492360705 /nfs/dbraw/zinc/36/07/05/492360705.db2.gz DNYIHWNCTGEJOS-GOSISDBHSA-N 2 2 369.531 0.931 20 0 FCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708248 492361680 /nfs/dbraw/zinc/36/16/80/492361680.db2.gz RQHJDGMLNOPCLV-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000634708248 492361682 /nfs/dbraw/zinc/36/16/82/492361682.db2.gz RQHJDGMLNOPCLV-UYAOXDASSA-N 2 2 361.486 0.850 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)[nH+]c12 ZINC000642638849 492368133 /nfs/dbraw/zinc/36/81/33/492368133.db2.gz KAMLKMCRSVAUAR-UKRRQHHQSA-N 2 2 373.457 0.531 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])[nH+]c12 ZINC000642638792 492368265 /nfs/dbraw/zinc/36/82/65/492368265.db2.gz CIGRJDDFECFHNP-CZUORRHYSA-N 2 2 357.458 0.887 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)[nH+]c12 ZINC000642638783 492368340 /nfs/dbraw/zinc/36/83/40/492368340.db2.gz BZLPMQYVRWQPKB-IBGZPJMESA-N 2 2 357.458 0.807 20 0 FCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000647834814 492369046 /nfs/dbraw/zinc/36/90/46/492369046.db2.gz AELQWMIPZLAYDM-UHFFFAOYSA-N 2 2 356.373 0.784 20 0 FCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000647834814 492369049 /nfs/dbraw/zinc/36/90/49/492369049.db2.gz AELQWMIPZLAYDM-UHFFFAOYSA-N 2 2 356.373 0.784 20 0 FCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000647850142 492371151 /nfs/dbraw/zinc/37/11/51/492371151.db2.gz MRUTWMLUFDIPSN-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000647850142 492371155 /nfs/dbraw/zinc/37/11/55/492371155.db2.gz MRUTWMLUFDIPSN-UHFFFAOYSA-N 2 2 354.476 0.690 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[C@@H]1[NH3+] ZINC000642687072 492373195 /nfs/dbraw/zinc/37/31/95/492373195.db2.gz IHWJYRGIZRFQLW-CVEARBPZSA-N 2 2 359.474 0.884 20 0 FCADLP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000654928434 492381118 /nfs/dbraw/zinc/38/11/18/492381118.db2.gz RVNRTQPDXSNPQQ-IBGZPJMESA-N 2 2 361.486 0.662 20 0 FCADLP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CCO)CC[NH+]1CCOCC1 ZINC000654928434 492381123 /nfs/dbraw/zinc/38/11/23/492381123.db2.gz RVNRTQPDXSNPQQ-IBGZPJMESA-N 2 2 361.486 0.662 20 0 FCADLP C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000647924850 492383910 /nfs/dbraw/zinc/38/39/10/492383910.db2.gz QDPVOEGRCPWLCD-ZDUSSCGKSA-N 2 2 350.438 0.932 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@@H]1[NH3+] ZINC000647938481 492385465 /nfs/dbraw/zinc/38/54/65/492385465.db2.gz OKHXQQUVJLYDRA-DOMZBBRYSA-N 2 2 366.487 0.282 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[C@@H]1[NH3+] ZINC000647938481 492385467 /nfs/dbraw/zinc/38/54/67/492385467.db2.gz OKHXQQUVJLYDRA-DOMZBBRYSA-N 2 2 366.487 0.282 20 0 FCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@@H]1[NH3+] ZINC000647938728 492385845 /nfs/dbraw/zinc/38/58/45/492385845.db2.gz STTHCYLNMZXSSI-HIFRSBDPSA-N 2 2 368.503 0.901 20 0 FCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC[C@@H]1[NH3+] ZINC000647938728 492385847 /nfs/dbraw/zinc/38/58/47/492385847.db2.gz STTHCYLNMZXSSI-HIFRSBDPSA-N 2 2 368.503 0.901 20 0 FCADLP CC[C@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@@H]1[NH3+] ZINC000647938427 492385920 /nfs/dbraw/zinc/38/59/20/492385920.db2.gz MVMFHQOQYYSVPF-ZFWWWQNUSA-N 2 2 368.503 0.949 20 0 FCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC[C@@H]1[NH3+] ZINC000647938427 492385925 /nfs/dbraw/zinc/38/59/25/492385925.db2.gz MVMFHQOQYYSVPF-ZFWWWQNUSA-N 2 2 368.503 0.949 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642754756 492386879 /nfs/dbraw/zinc/38/68/79/492386879.db2.gz JPEMOWROUQXISQ-QGZVFWFLSA-N 2 2 373.501 0.183 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCN(C(C)=O)C3)CC2)CC1 ZINC000621578636 492393891 /nfs/dbraw/zinc/39/38/91/492393891.db2.gz ZLYZWDXXRIMYPZ-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCN(C(C)=O)C3)CC2)CC1 ZINC000621578636 492393893 /nfs/dbraw/zinc/39/38/93/492393893.db2.gz ZLYZWDXXRIMYPZ-QGZVFWFLSA-N 2 2 365.522 0.809 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635122071 492395929 /nfs/dbraw/zinc/39/59/29/492395929.db2.gz KHJHQORMVHKBBZ-MRXNPFEDSA-N 2 2 374.489 0.659 20 0 FCADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000635122071 492395933 /nfs/dbraw/zinc/39/59/33/492395933.db2.gz KHJHQORMVHKBBZ-MRXNPFEDSA-N 2 2 374.489 0.659 20 0 FCADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000642890257 492397720 /nfs/dbraw/zinc/39/77/20/492397720.db2.gz SUESGLGDOLLXRV-HNNXBMFYSA-N 2 2 352.479 0.087 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621641537 492399179 /nfs/dbraw/zinc/39/91/79/492399179.db2.gz NDZTVDUCMDLLFT-AWEZNQCLSA-N 2 2 357.462 0.792 20 0 FCADLP O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000642980082 492410127 /nfs/dbraw/zinc/41/01/27/492410127.db2.gz XWCKLPIQFJSMKE-CQSZACIVSA-N 2 2 350.488 0.651 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981930 492410466 /nfs/dbraw/zinc/41/04/66/492410466.db2.gz LNBXITQQEDWINX-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981930 492410470 /nfs/dbraw/zinc/41/04/70/492410470.db2.gz LNBXITQQEDWINX-SJLPKXTDSA-N 2 2 358.486 0.978 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642980444 492410507 /nfs/dbraw/zinc/41/05/07/492410507.db2.gz DKEUWGOYGUUFJP-SFHVURJKSA-N 2 2 358.486 0.898 20 0 FCADLP O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000642982406 492411468 /nfs/dbraw/zinc/41/14/68/492411468.db2.gz VFCFKPWKNDDPCQ-HNNXBMFYSA-N 2 2 350.488 0.651 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C4CCC4)C3)C2)CC1 ZINC000643397662 492448259 /nfs/dbraw/zinc/44/82/59/492448259.db2.gz HNCWOCFQLLPFGA-DLBZAZTESA-N 2 2 362.518 0.920 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C4CCC4)C3)C2)CC1 ZINC000643397662 492448261 /nfs/dbraw/zinc/44/82/61/492448261.db2.gz HNCWOCFQLLPFGA-DLBZAZTESA-N 2 2 362.518 0.920 20 0 FCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000643419277 492454404 /nfs/dbraw/zinc/45/44/04/492454404.db2.gz GSXVRWDNSOPNNW-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000643419277 492454406 /nfs/dbraw/zinc/45/44/06/492454406.db2.gz GSXVRWDNSOPNNW-DLBZAZTESA-N 2 2 366.506 0.158 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779151 492455115 /nfs/dbraw/zinc/45/51/15/492455115.db2.gz BTLSSMOIPIWSQM-HZMVEIRTSA-N 2 2 368.522 0.306 20 0 FCADLP CC[C@H](C)[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000648779151 492455120 /nfs/dbraw/zinc/45/51/20/492455120.db2.gz BTLSSMOIPIWSQM-HZMVEIRTSA-N 2 2 368.522 0.306 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551876 492455088 /nfs/dbraw/zinc/45/50/88/492455088.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[NH+](CCCO)C3)C2)CC1 ZINC000655551876 492455093 /nfs/dbraw/zinc/45/50/93/492455093.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)C2)CC1 ZINC000655551876 492455097 /nfs/dbraw/zinc/45/50/97/492455097.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 3 2 367.538 0.301 20 0 FCADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)C2)CC1 ZINC000655551876 492455100 /nfs/dbraw/zinc/45/51/00/492455100.db2.gz GYNHHBGLMNUXQL-SJORKVTESA-N 3 2 367.538 0.301 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000635494523 492457889 /nfs/dbraw/zinc/45/78/89/492457889.db2.gz DMADZTXLGZNYPV-UHFFFAOYSA-N 2 2 365.478 0.512 20 0 FCADLP CC[C@H](C)[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000635551196 492468891 /nfs/dbraw/zinc/46/88/91/492468891.db2.gz ZKWIFQSDURVFQS-JKSUJKDBSA-N 2 2 368.522 0.308 20 0 FCADLP CC[C@@H](C)[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000635551195 492469144 /nfs/dbraw/zinc/46/91/44/492469144.db2.gz ZKWIFQSDURVFQS-HZPDHXFCSA-N 2 2 368.522 0.308 20 0 FCADLP CN(C(=O)[C@@H]1CCCCN(C)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552962 492470232 /nfs/dbraw/zinc/47/02/32/492470232.db2.gz WTJDJVXIVNHGIY-DLBZAZTESA-N 2 2 350.507 0.872 20 0 FCADLP CN(C(=O)[C@@H]1CCCCN(C)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552962 492470235 /nfs/dbraw/zinc/47/02/35/492470235.db2.gz WTJDJVXIVNHGIY-DLBZAZTESA-N 2 2 350.507 0.872 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000635557158 492471122 /nfs/dbraw/zinc/47/11/22/492471122.db2.gz WGRHWLHPFIWYFU-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000635557158 492471124 /nfs/dbraw/zinc/47/11/24/492471124.db2.gz WGRHWLHPFIWYFU-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000635557158 492471126 /nfs/dbraw/zinc/47/11/26/492471126.db2.gz WGRHWLHPFIWYFU-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000635557158 492471129 /nfs/dbraw/zinc/47/11/29/492471129.db2.gz WGRHWLHPFIWYFU-HZPDHXFCSA-N 2 2 354.495 0.108 20 0 FCADLP O=C(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000643474092 492472239 /nfs/dbraw/zinc/47/22/39/492472239.db2.gz WMQONKIOEDXYAN-IAGOWNOFSA-N 2 2 371.485 0.578 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC([NH+]3CCOCC3)CC1)n2C ZINC000628123962 492472791 /nfs/dbraw/zinc/47/27/91/492472791.db2.gz MCYTWOXEHCQCIK-UHFFFAOYSA-N 2 2 372.473 0.971 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000643476918 492473686 /nfs/dbraw/zinc/47/36/86/492473686.db2.gz DVZUHGXLWOBLQF-OAQYLSRUSA-N 2 2 370.497 0.851 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CCO1 ZINC000643478416 492474063 /nfs/dbraw/zinc/47/40/63/492474063.db2.gz STJONNNSXZVZEK-UAGQMJEPSA-N 2 2 360.458 0.076 20 0 FCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCO1 ZINC000643478416 492474066 /nfs/dbraw/zinc/47/40/66/492474066.db2.gz STJONNNSXZVZEK-UAGQMJEPSA-N 2 2 360.458 0.076 20 0 FCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NCc1ccccc1 ZINC000655700737 492477393 /nfs/dbraw/zinc/47/73/93/492477393.db2.gz OMLBSDBGMWJRBX-SFHVURJKSA-N 2 2 367.515 0.949 20 0 FCADLP O=S(=O)(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)N1CCSCC1 ZINC000655710705 492478593 /nfs/dbraw/zinc/47/85/93/492478593.db2.gz CTDNXTXYRWCOBD-HNNXBMFYSA-N 2 2 363.549 0.208 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635655744 492487243 /nfs/dbraw/zinc/48/72/43/492487243.db2.gz QZBQJAAFQFKEJP-AWEZNQCLSA-N 2 2 356.492 0.584 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC[C@@H]1[NH3+] ZINC000643516512 492487523 /nfs/dbraw/zinc/48/75/23/492487523.db2.gz IJEZDEYPMWIXSH-NUJGCVRESA-N 2 2 373.501 0.873 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000643519216 492488897 /nfs/dbraw/zinc/48/88/97/492488897.db2.gz HDEGNMIYZFYPES-XUWVNRHRSA-N 2 2 354.495 0.140 20 0 FCADLP CC[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000643519216 492488902 /nfs/dbraw/zinc/48/89/02/492488902.db2.gz HDEGNMIYZFYPES-XUWVNRHRSA-N 2 2 354.495 0.140 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000643519327 492489348 /nfs/dbraw/zinc/48/93/48/492489348.db2.gz OVYNRSLVEZFRSZ-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000643519327 492489350 /nfs/dbraw/zinc/48/93/50/492489350.db2.gz OVYNRSLVEZFRSZ-OWCLPIDISA-N 2 2 354.495 0.010 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC[C@H]1[NH3+] ZINC000643532354 492491704 /nfs/dbraw/zinc/49/17/04/492491704.db2.gz IBGMJFWEZTYTCA-HUUCEWRRSA-N 2 2 360.462 0.019 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643541452 492494253 /nfs/dbraw/zinc/49/42/53/492494253.db2.gz MZCSZJGTRZPFMG-HZPDHXFCSA-N 2 2 357.458 0.249 20 0 FCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000643576763 492499410 /nfs/dbraw/zinc/49/94/10/492499410.db2.gz PDQJDCBRAGADJJ-INIZCTEOSA-N 2 2 374.485 0.468 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000643591581 492501782 /nfs/dbraw/zinc/50/17/82/492501782.db2.gz PHKATTBLNPZHJK-MOPGFXCFSA-N 2 2 370.497 0.992 20 0 FCADLP C[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000649131965 492503351 /nfs/dbraw/zinc/50/33/51/492503351.db2.gz HRRMGLSNDFXLAB-UHFFFAOYSA-N 2 2 373.501 0.527 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)[C@@H](C[NH3+])C1 ZINC000623066250 492505260 /nfs/dbraw/zinc/50/52/60/492505260.db2.gz CFYFSDJKSSDIQJ-HNNXBMFYSA-N 2 2 355.446 0.998 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)[C@@H](C[NH3+])C1 ZINC000623066250 492505267 /nfs/dbraw/zinc/50/52/67/492505267.db2.gz CFYFSDJKSSDIQJ-HNNXBMFYSA-N 2 2 355.446 0.998 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000649274331 492517937 /nfs/dbraw/zinc/51/79/37/492517937.db2.gz DMZFSCSNLTWTJZ-JCGIZDLHSA-N 3 2 357.458 0.376 20 0 FCADLP CC[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000628585307 492526099 /nfs/dbraw/zinc/52/60/99/492526099.db2.gz XHBFXWWMNJGJMD-OAGGEKHMSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[N@H+]1CCO[C@H](CC)C1 ZINC000628585307 492526104 /nfs/dbraw/zinc/52/61/04/492526104.db2.gz XHBFXWWMNJGJMD-OAGGEKHMSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@H](CC)C1 ZINC000628585307 492526105 /nfs/dbraw/zinc/52/61/05/492526105.db2.gz XHBFXWWMNJGJMD-OAGGEKHMSA-N 2 2 354.495 0.332 20 0 FCADLP CC[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCO[C@H](CC)C1 ZINC000628585307 492526110 /nfs/dbraw/zinc/52/61/10/492526110.db2.gz XHBFXWWMNJGJMD-OAGGEKHMSA-N 2 2 354.495 0.332 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cnn1C ZINC000649343693 492540449 /nfs/dbraw/zinc/54/04/49/492540449.db2.gz PRBDRZOXPPTYQX-MSOLQXFVSA-N 3 2 362.522 0.174 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081984 492543342 /nfs/dbraw/zinc/54/33/42/492543342.db2.gz BDFJBUQNIBZLSA-UUAJXVIYSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081984 492543346 /nfs/dbraw/zinc/54/33/46/492543346.db2.gz BDFJBUQNIBZLSA-UUAJXVIYSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081984 492543353 /nfs/dbraw/zinc/54/33/53/492543353.db2.gz BDFJBUQNIBZLSA-UUAJXVIYSA-N 2 2 366.506 0.153 20 0 FCADLP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656081984 492543354 /nfs/dbraw/zinc/54/33/54/492543354.db2.gz BDFJBUQNIBZLSA-UUAJXVIYSA-N 2 2 366.506 0.153 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000623394849 492549844 /nfs/dbraw/zinc/54/98/44/492549844.db2.gz VBMCXOUZDALBFP-UHFFFAOYSA-N 2 2 354.495 0.605 20 0 FCADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000623414380 492552120 /nfs/dbraw/zinc/55/21/20/492552120.db2.gz BUDYMVLDUACMEL-QGZVFWFLSA-N 2 2 368.522 0.994 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000636128079 492553432 /nfs/dbraw/zinc/55/34/32/492553432.db2.gz QRVDVTQJYIDUPR-UHFFFAOYSA-N 2 2 357.495 0.152 20 0 FCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000643787171 492558921 /nfs/dbraw/zinc/55/89/21/492558921.db2.gz PIOQSLWYWKZPHM-KRWDZBQOSA-N 2 2 360.458 0.525 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636318316 492581864 /nfs/dbraw/zinc/58/18/64/492581864.db2.gz UFPLLCRKJFQXFG-JZXOWHBKSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636318316 492581866 /nfs/dbraw/zinc/58/18/66/492581866.db2.gz UFPLLCRKJFQXFG-JZXOWHBKSA-N 2 2 368.522 0.353 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356846 492611938 /nfs/dbraw/zinc/61/19/38/492611938.db2.gz HIYBOQZCHFJROY-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356846 492611942 /nfs/dbraw/zinc/61/19/42/492611942.db2.gz HIYBOQZCHFJROY-ZACQAIPSSA-N 2 2 366.506 0.299 20 0 FCADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629554603 492644563 /nfs/dbraw/zinc/64/45/63/492644563.db2.gz MQXSGJVTVDVTPK-MRXNPFEDSA-N 2 2 355.504 0.920 20 0 FCADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559374 492644666 /nfs/dbraw/zinc/64/46/66/492644666.db2.gz BFKVBBIMQZDKGJ-NWDGAFQWSA-N 2 2 361.430 0.401 20 0 FCADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559374 492644670 /nfs/dbraw/zinc/64/46/70/492644670.db2.gz BFKVBBIMQZDKGJ-NWDGAFQWSA-N 2 2 361.430 0.401 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629562278 492645373 /nfs/dbraw/zinc/64/53/73/492645373.db2.gz AFYNWOUDCFPSEE-QWHCGFSZSA-N 2 2 350.385 0.136 20 0 FCADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629562278 492645375 /nfs/dbraw/zinc/64/53/75/492645375.db2.gz AFYNWOUDCFPSEE-QWHCGFSZSA-N 2 2 350.385 0.136 20 0 FCADLP COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2=O)c1 ZINC000629564506 492645864 /nfs/dbraw/zinc/64/58/64/492645864.db2.gz LQCXJODZYDJIRZ-QAPCUYQASA-N 2 2 363.458 0.855 20 0 FCADLP COCCNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629565923 492646327 /nfs/dbraw/zinc/64/63/27/492646327.db2.gz QPUMIVVEATUCLC-MRXNPFEDSA-N 2 2 371.503 0.158 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000650594586 492653891 /nfs/dbraw/zinc/65/38/91/492653891.db2.gz QQLXUDFHVTUZDZ-IAGOWNOFSA-N 2 2 355.442 0.970 20 0 FCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000650594586 492653894 /nfs/dbraw/zinc/65/38/94/492653894.db2.gz QQLXUDFHVTUZDZ-IAGOWNOFSA-N 2 2 355.442 0.970 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578180 492654596 /nfs/dbraw/zinc/65/45/96/492654596.db2.gz NTNZPJBKHQBUKD-UHFFFAOYSA-N 3 2 362.518 0.936 20 0 FCADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578180 492654600 /nfs/dbraw/zinc/65/46/00/492654600.db2.gz NTNZPJBKHQBUKD-UHFFFAOYSA-N 3 2 362.518 0.936 20 0 FCADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578180 492654604 /nfs/dbraw/zinc/65/46/04/492654604.db2.gz NTNZPJBKHQBUKD-UHFFFAOYSA-N 3 2 362.518 0.936 20 0 FCADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCOCC[NH3+])CC2)cc1 ZINC000629578180 492654607 /nfs/dbraw/zinc/65/46/07/492654607.db2.gz NTNZPJBKHQBUKD-UHFFFAOYSA-N 3 2 362.518 0.936 20 0 FCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000644156998 492655611 /nfs/dbraw/zinc/65/56/11/492655611.db2.gz UESZMJCIRZPSBU-RHSMWYFYSA-N 2 2 374.489 0.396 20 0 FCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000644156998 492655614 /nfs/dbraw/zinc/65/56/14/492655614.db2.gz UESZMJCIRZPSBU-RHSMWYFYSA-N 2 2 374.489 0.396 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650658631 492658909 /nfs/dbraw/zinc/65/89/09/492658909.db2.gz GEIUKIRRLZZKIS-RTBURBONSA-N 2 2 374.485 0.520 20 0 FCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650658631 492658914 /nfs/dbraw/zinc/65/89/14/492658914.db2.gz GEIUKIRRLZZKIS-RTBURBONSA-N 2 2 374.485 0.520 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000650696013 492662408 /nfs/dbraw/zinc/66/24/08/492662408.db2.gz KLAHMRNXVVINIP-KRWDZBQOSA-N 2 2 356.511 0.709 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000650809388 492669812 /nfs/dbraw/zinc/66/98/12/492669812.db2.gz GXRSTIVASJHOBN-INIZCTEOSA-N 2 2 367.494 0.818 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629796945 492676489 /nfs/dbraw/zinc/67/64/89/492676489.db2.gz MUFPIZMVTMSDRX-MRXNPFEDSA-N 2 2 362.474 0.153 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629796945 492676493 /nfs/dbraw/zinc/67/64/93/492676493.db2.gz MUFPIZMVTMSDRX-MRXNPFEDSA-N 2 2 362.474 0.153 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000650894581 492682652 /nfs/dbraw/zinc/68/26/52/492682652.db2.gz ATKJLTQGCAECOY-INIZCTEOSA-N 2 2 356.511 0.707 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000629816428 492687105 /nfs/dbraw/zinc/68/71/05/492687105.db2.gz VSJISRWAIFIMKK-SJLPKXTDSA-N 2 2 373.501 0.743 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)nc(C)[nH+]1 ZINC000650962058 492688455 /nfs/dbraw/zinc/68/84/55/492688455.db2.gz CKMCVTYMRFOIFW-QGZVFWFLSA-N 2 2 374.489 0.523 20 0 FCADLP Cc1cc(N2CCC(NC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)nc(C)[nH+]1 ZINC000650962058 492688458 /nfs/dbraw/zinc/68/84/58/492688458.db2.gz CKMCVTYMRFOIFW-QGZVFWFLSA-N 2 2 374.489 0.523 20 0 FCADLP CC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636792195 492694724 /nfs/dbraw/zinc/69/47/24/492694724.db2.gz PZQCQMXPVMNIRY-WMZOPIPTSA-N 2 2 365.522 0.855 20 0 FCADLP CC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636792195 492694726 /nfs/dbraw/zinc/69/47/26/492694726.db2.gz PZQCQMXPVMNIRY-WMZOPIPTSA-N 2 2 365.522 0.855 20 0 FCADLP Cc1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(N2CCCC2)[nH+]1 ZINC000651021236 492695219 /nfs/dbraw/zinc/69/52/19/492695219.db2.gz YODQPDUFKIKXDS-QGZVFWFLSA-N 2 2 359.474 0.951 20 0 FCADLP Cc1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(N2CCCC2)[nH+]1 ZINC000651021236 492695220 /nfs/dbraw/zinc/69/52/20/492695220.db2.gz YODQPDUFKIKXDS-QGZVFWFLSA-N 2 2 359.474 0.951 20 0 FCADLP C[N@H+](CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000629954559 492708548 /nfs/dbraw/zinc/70/85/48/492708548.db2.gz PGOFYLOAJVDUDW-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[N@@H+](CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000629954559 492708551 /nfs/dbraw/zinc/70/85/51/492708551.db2.gz PGOFYLOAJVDUDW-UHFFFAOYSA-N 2 2 359.474 0.721 20 0 FCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000657071137 492709439 /nfs/dbraw/zinc/70/94/39/492709439.db2.gz GRPLQIQUKPSMFL-LBPRGKRZSA-N 2 2 367.466 0.699 20 0 FCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000657071137 492709442 /nfs/dbraw/zinc/70/94/42/492709442.db2.gz GRPLQIQUKPSMFL-LBPRGKRZSA-N 2 2 367.466 0.699 20 0 FCADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000651221967 492724484 /nfs/dbraw/zinc/72/44/84/492724484.db2.gz HXULXFBMMIFPHL-HOTGVXAUSA-N 2 2 359.536 0.686 20 0 FCADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000651221967 492724486 /nfs/dbraw/zinc/72/44/86/492724486.db2.gz HXULXFBMMIFPHL-HOTGVXAUSA-N 2 2 359.536 0.686 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[NH+]2C)C[N@H+]1C1CC1 ZINC000636907297 492725239 /nfs/dbraw/zinc/72/52/39/492725239.db2.gz MZFDEWLGCCGCTP-ZRGWGRIASA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)C[NH+]1C1CC1 ZINC000636907297 492725242 /nfs/dbraw/zinc/72/52/42/492725242.db2.gz MZFDEWLGCCGCTP-ZRGWGRIASA-N 2 2 366.506 0.527 20 0 FCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)C[NH+]1C1CC1 ZINC000636907297 492725245 /nfs/dbraw/zinc/72/52/45/492725245.db2.gz MZFDEWLGCCGCTP-ZRGWGRIASA-N 2 2 366.506 0.527 20 0 FCADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CO2 ZINC000651231434 492725237 /nfs/dbraw/zinc/72/52/37/492725237.db2.gz JLMCGPLRKRWMEZ-ZWKOTPCHSA-N 2 2 361.486 0.995 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000636934827 492732306 /nfs/dbraw/zinc/73/23/06/492732306.db2.gz QBWAAMGEEMPCPJ-LJQANCHMSA-N 2 2 373.457 0.749 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000636934827 492732308 /nfs/dbraw/zinc/73/23/08/492732308.db2.gz QBWAAMGEEMPCPJ-LJQANCHMSA-N 2 2 373.457 0.749 20 0 FCADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000636934826 492732320 /nfs/dbraw/zinc/73/23/20/492732320.db2.gz QBWAAMGEEMPCPJ-IBGZPJMESA-N 2 2 373.457 0.749 20 0 FCADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000636934826 492732321 /nfs/dbraw/zinc/73/23/21/492732321.db2.gz QBWAAMGEEMPCPJ-IBGZPJMESA-N 2 2 373.457 0.749 20 0 FCADLP CCN1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313486 492739903 /nfs/dbraw/zinc/73/99/03/492739903.db2.gz DFIOQUNFEWWIPL-NVXWUHKLSA-N 2 2 365.522 0.665 20 0 FCADLP CCN1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000651313486 492739907 /nfs/dbraw/zinc/73/99/07/492739907.db2.gz DFIOQUNFEWWIPL-NVXWUHKLSA-N 2 2 365.522 0.665 20 0 FCADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCCN(C)C1=O ZINC000636987607 492743650 /nfs/dbraw/zinc/74/36/50/492743650.db2.gz PICXEUJXZCHGSJ-MRXNPFEDSA-N 2 2 353.511 0.665 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000636988538 492743824 /nfs/dbraw/zinc/74/38/24/492743824.db2.gz WFNHTAWEVABMOX-HDICACEKSA-N 2 2 356.511 0.035 20 0 FCADLP CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657523947 492757308 /nfs/dbraw/zinc/75/73/08/492757308.db2.gz VAGOUJZYZWTQGC-UHFFFAOYSA-N 2 2 372.473 0.725 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)[C@H]1c1[nH+]ccn1C ZINC000625383578 492770870 /nfs/dbraw/zinc/77/08/70/492770870.db2.gz MVYQMIHRRGMIHC-KBMXLJTQSA-N 2 2 363.462 0.167 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000630809356 492776759 /nfs/dbraw/zinc/77/67/59/492776759.db2.gz ZGOOZJWCMBPDAO-QGZVFWFLSA-N 2 2 367.519 0.382 20 0 FCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O)c2cc1C ZINC000644557294 492785068 /nfs/dbraw/zinc/78/50/68/492785068.db2.gz BCSXSVALROJRDS-CQSZACIVSA-N 2 2 368.503 0.931 20 0 FCADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657744445 492788792 /nfs/dbraw/zinc/78/87/92/492788792.db2.gz JSWGJKAOYBPDGY-QGZVFWFLSA-N 2 2 364.490 0.006 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cn2)CC1 ZINC000657751354 492791092 /nfs/dbraw/zinc/79/10/92/492791092.db2.gz QXLVOKHMFWMBMP-SFHVURJKSA-N 3 2 360.506 0.571 20 0 FCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1S(N)(=O)=O ZINC000644633868 492794523 /nfs/dbraw/zinc/79/45/23/492794523.db2.gz UOYYZNZIELDTOK-DZKIICNBSA-N 2 2 371.503 0.202 20 0 FCADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)ccn1 ZINC000631100686 492797150 /nfs/dbraw/zinc/79/71/50/492797150.db2.gz CMPHMLFLTHZDHK-INIZCTEOSA-N 2 2 360.462 0.940 20 0 FCADLP CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631139710 492799563 /nfs/dbraw/zinc/79/95/63/492799563.db2.gz PKRPIXODVIZZMS-UHFFFAOYSA-N 2 2 371.503 0.379 20 0 FCADLP O=C([C@@H]1CC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000631302014 492810511 /nfs/dbraw/zinc/81/05/11/492810511.db2.gz ZYJYHTZOXREWLD-HZPDHXFCSA-N 2 2 354.414 0.573 20 0 FCADLP COc1cc[nH+]cc1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000644959940 492833185 /nfs/dbraw/zinc/83/31/85/492833185.db2.gz MQVVDHNTIIWNSE-UHFFFAOYSA-N 2 2 361.446 0.540 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644989999 492836517 /nfs/dbraw/zinc/83/65/17/492836517.db2.gz PRSGJESJHDZSGU-FGYAAKKASA-N 4 2 356.514 0.998 20 0 FCADLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000644989999 492836520 /nfs/dbraw/zinc/83/65/20/492836520.db2.gz PRSGJESJHDZSGU-FGYAAKKASA-N 4 2 356.514 0.998 20 0 FCADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658089755 492836619 /nfs/dbraw/zinc/83/66/19/492836619.db2.gz BXQOHKJSXAVJOV-KRWDZBQOSA-N 2 2 368.522 0.356 20 0 FCADLP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000645061941 492855399 /nfs/dbraw/zinc/85/53/99/492855399.db2.gz BCMDZFOZHNPUKX-UHFFFAOYSA-N 2 2 365.478 0.349 20 0 FCADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828459 492858640 /nfs/dbraw/zinc/85/86/40/492858640.db2.gz PJOUUXUAXIOHCR-HUUCEWRRSA-N 2 2 358.446 0.240 20 0 FCADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)Nc1ccccn1 ZINC000631828459 492858645 /nfs/dbraw/zinc/85/86/45/492858645.db2.gz PJOUUXUAXIOHCR-HUUCEWRRSA-N 2 2 358.446 0.240 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000637810703 492868263 /nfs/dbraw/zinc/86/82/63/492868263.db2.gz NFYMCFQNVVYRHQ-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000637810703 492868267 /nfs/dbraw/zinc/86/82/67/492868267.db2.gz NFYMCFQNVVYRHQ-INIZCTEOSA-N 2 2 364.877 0.852 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)[C@H]1c1[nH+]ccn1C ZINC000637818235 492869830 /nfs/dbraw/zinc/86/98/30/492869830.db2.gz BPJYVUCAVKGEFE-VDERGJSUSA-N 2 2 363.462 0.213 20 0 FCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(=O)n4ccccc4n3)cn2)CC1 ZINC000652039003 492870711 /nfs/dbraw/zinc/87/07/11/492870711.db2.gz FLQYPCUGWVUYEI-UHFFFAOYSA-N 2 2 365.441 0.526 20 0 FCADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000631911688 492877655 /nfs/dbraw/zinc/87/76/55/492877655.db2.gz OJRWLICHRAPADG-MRXNPFEDSA-N 2 2 350.444 0.339 20 0 FCADLP C[C@H](CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)[NH+](C)C ZINC000658421088 492881118 /nfs/dbraw/zinc/88/11/18/492881118.db2.gz KDIUJOVDBIUEAE-OAHLLOKOSA-N 2 2 362.474 0.914 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000631916861 492882875 /nfs/dbraw/zinc/88/28/75/492882875.db2.gz BHBOJUZNLPGDIO-UHFFFAOYSA-N 2 2 373.548 0.579 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000631916861 492882879 /nfs/dbraw/zinc/88/28/79/492882879.db2.gz BHBOJUZNLPGDIO-UHFFFAOYSA-N 2 2 373.548 0.579 20 0 FCADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000631926675 492888342 /nfs/dbraw/zinc/88/83/42/492888342.db2.gz FOVXPBGKOQLMCF-UHFFFAOYSA-N 2 2 370.494 0.872 20 0 FCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)C1 ZINC000652182922 492891440 /nfs/dbraw/zinc/89/14/40/492891440.db2.gz HLYZOZGBCNXTRR-ZACQAIPSSA-N 2 2 366.506 0.779 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000652216259 492895526 /nfs/dbraw/zinc/89/55/26/492895526.db2.gz NWFJCZZCVYVCPQ-UHFFFAOYSA-N 2 2 362.474 0.780 20 0 FCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000638053788 492897056 /nfs/dbraw/zinc/89/70/56/492897056.db2.gz BRCGJIIQWKSSIJ-KDOFPFPSSA-N 2 2 374.485 0.376 20 0 FCADLP [NH3+]Cc1ncc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cn1 ZINC000638056249 492897386 /nfs/dbraw/zinc/89/73/86/492897386.db2.gz INTBZUCKZNLLBG-UHFFFAOYSA-N 2 2 351.414 0.541 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638055813 492897485 /nfs/dbraw/zinc/89/74/85/492897485.db2.gz KOZKZBGFIZEIHJ-HNNXBMFYSA-N 2 2 370.497 0.686 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638069809 492899713 /nfs/dbraw/zinc/89/97/13/492899713.db2.gz UJOVTISPLOOULE-GOSISDBHSA-N 2 2 362.474 0.802 20 0 FCADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638064888 492900124 /nfs/dbraw/zinc/90/01/24/492900124.db2.gz PUHYZCMJVNORLC-HNNXBMFYSA-N 2 2 372.391 0.986 20 0 FCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCOC4(CC[NH+](C)CC4)C3)[nH+]cn2)C1 ZINC000645385906 492900872 /nfs/dbraw/zinc/90/08/72/492900872.db2.gz VOWOJCIMAOAVPA-CVEARBPZSA-N 2 2 361.490 0.985 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)CC1 ZINC000645407744 492903049 /nfs/dbraw/zinc/90/30/49/492903049.db2.gz YASOEFXILKXSCO-OIISXLGYSA-N 2 2 374.485 0.222 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)CC1 ZINC000645407744 492903052 /nfs/dbraw/zinc/90/30/52/492903052.db2.gz YASOEFXILKXSCO-OIISXLGYSA-N 2 2 374.485 0.222 20 0 FCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315192 492909851 /nfs/dbraw/zinc/90/98/51/492909851.db2.gz NUSCNSVKUJPFQX-INIZCTEOSA-N 2 2 365.522 0.714 20 0 FCADLP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638123279 492911177 /nfs/dbraw/zinc/91/11/77/492911177.db2.gz NLQQRMQGXHKJOO-YOEHRIQHSA-N 2 2 355.442 0.955 20 0 FCADLP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638123279 492911179 /nfs/dbraw/zinc/91/11/79/492911179.db2.gz NLQQRMQGXHKJOO-YOEHRIQHSA-N 2 2 355.442 0.955 20 0 FCADLP C[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)N1CC[NH2+]CC1=O ZINC000638136765 492915911 /nfs/dbraw/zinc/91/59/11/492915911.db2.gz MBKNSQPJKGSPTJ-OAHLLOKOSA-N 2 2 359.474 0.193 20 0 FCADLP C[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)N1CC[NH2+]CC1=O ZINC000638136765 492915915 /nfs/dbraw/zinc/91/59/15/492915915.db2.gz MBKNSQPJKGSPTJ-OAHLLOKOSA-N 2 2 359.474 0.193 20 0 FCADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638138612 492916960 /nfs/dbraw/zinc/91/69/60/492916960.db2.gz DGJOKHGFEGXLPR-UHFFFAOYSA-N 2 2 354.458 0.830 20 0 FCADLP C[NH+]1CCN(CCOc2ccc(NC(=O)c3cnc(C[NH3+])nc3)cc2)CC1 ZINC000638138804 492917947 /nfs/dbraw/zinc/91/79/47/492917947.db2.gz GEDZVSHJNODOOH-UHFFFAOYSA-N 2 2 370.457 0.814 20 0 FCADLP CN1CC[NH+](CCOc2ccc(NC(=O)c3cnc(C[NH3+])nc3)cc2)CC1 ZINC000638138804 492917950 /nfs/dbraw/zinc/91/79/50/492917950.db2.gz GEDZVSHJNODOOH-UHFFFAOYSA-N 2 2 370.457 0.814 20 0 FCADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(S(N)(=O)=O)o3)CC2)CC1 ZINC000638152127 492920034 /nfs/dbraw/zinc/92/00/34/492920034.db2.gz JJOUFFUHVTXSAV-UHFFFAOYSA-N 2 2 370.519 0.917 20 0 FCADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000632087005 492925680 /nfs/dbraw/zinc/92/56/80/492925680.db2.gz MJUSNTZIDLBBSY-HNNXBMFYSA-N 2 2 355.508 0.904 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N1CC[NH2+]CC1=O ZINC000638316372 492933300 /nfs/dbraw/zinc/93/33/00/492933300.db2.gz BHIDHPKZRIYHKZ-RDBSUJKOSA-N 2 2 368.478 0.597 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N1CC[NH2+]CC1=O ZINC000638316372 492933302 /nfs/dbraw/zinc/93/33/02/492933302.db2.gz BHIDHPKZRIYHKZ-RDBSUJKOSA-N 2 2 368.478 0.597 20 0 FCADLP CO[C@H](C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000638369558 492940841 /nfs/dbraw/zinc/94/08/41/492940841.db2.gz CMONLXNCSHZXCB-MRXNPFEDSA-N 2 2 368.503 0.548 20 0 FCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000632161220 492941765 /nfs/dbraw/zinc/94/17/65/492941765.db2.gz TYPVYICLTKZGII-HZPDHXFCSA-N 2 2 358.552 0.368 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652471941 492942794 /nfs/dbraw/zinc/94/27/94/492942794.db2.gz NUPXKGJYZSPLOL-INIZCTEOSA-N 2 2 354.495 0.110 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652528342 492963193 /nfs/dbraw/zinc/96/31/93/492963193.db2.gz SKYXHFBQIVUHNT-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)C1 ZINC000652528342 492963194 /nfs/dbraw/zinc/96/31/94/492963194.db2.gz SKYXHFBQIVUHNT-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346744 492965723 /nfs/dbraw/zinc/96/57/23/492965723.db2.gz XVURXQKBUUVTOE-VRKREXBASA-N 2 2 363.462 0.260 20 0 FCADLP CCN1C(=O)CO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)[C@H]1c1[nH+]ccn1C ZINC000626346744 492965727 /nfs/dbraw/zinc/96/57/27/492965727.db2.gz XVURXQKBUUVTOE-VRKREXBASA-N 2 2 363.462 0.260 20 0 FCADLP C[C@H]1CC[C@@H](NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C[NH2+]1 ZINC000638641941 492969659 /nfs/dbraw/zinc/96/96/59/492969659.db2.gz FRUBFPDFTILMPH-UONOGXRCSA-N 2 2 353.488 0.892 20 0 FCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000652560041 492969928 /nfs/dbraw/zinc/96/99/28/492969928.db2.gz PFKUIAJIHHLGJE-HNNXBMFYSA-N 2 2 350.467 0.195 20 0 FCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1 ZINC000652560041 492969931 /nfs/dbraw/zinc/96/99/31/492969931.db2.gz PFKUIAJIHHLGJE-HNNXBMFYSA-N 2 2 350.467 0.195 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000652612256 492971309 /nfs/dbraw/zinc/97/13/09/492971309.db2.gz NBXWENJQURLLTA-LBPRGKRZSA-N 2 2 356.389 0.256 20 0 FCADLP Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1(C)C ZINC000632390966 492988822 /nfs/dbraw/zinc/98/88/22/492988822.db2.gz OQZUOGKXZYYUII-OAHLLOKOSA-N 2 2 369.535 0.770 20 0 FCADLP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003545 492991632 /nfs/dbraw/zinc/99/16/32/492991632.db2.gz HZANDYUPOMWUHK-CQSZACIVSA-N 2 2 355.446 0.277 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000645955981 492992101 /nfs/dbraw/zinc/99/21/01/492992101.db2.gz QUKAAUSIDIUTRK-WMZOPIPTSA-N 2 2 374.485 0.386 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652704172 492995773 /nfs/dbraw/zinc/99/57/73/492995773.db2.gz HAQHBXCAIHYJOT-KZNAEPCWSA-N 2 2 358.486 0.615 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000652704172 492995775 /nfs/dbraw/zinc/99/57/75/492995775.db2.gz HAQHBXCAIHYJOT-KZNAEPCWSA-N 2 2 358.486 0.615 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710778 492997534 /nfs/dbraw/zinc/99/75/34/492997534.db2.gz ABQREQVTZQKPHY-MRXNPFEDSA-N 2 2 358.486 0.965 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652710778 492997535 /nfs/dbraw/zinc/99/75/35/492997535.db2.gz ABQREQVTZQKPHY-MRXNPFEDSA-N 2 2 358.486 0.965 20 0 FCADLP CN(Cc1ccc(S(N)(=O)=O)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639172257 493001293 /nfs/dbraw/zinc/00/12/93/493001293.db2.gz KETVNECPPMTQJA-AWEZNQCLSA-N 2 2 356.492 0.527 20 0 FCADLP CN(Cc1ccc(S(N)(=O)=O)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639172257 493001299 /nfs/dbraw/zinc/00/12/99/493001299.db2.gz KETVNECPPMTQJA-AWEZNQCLSA-N 2 2 356.492 0.527 20 0 FCADLP C[N@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172257 493001304 /nfs/dbraw/zinc/00/13/04/493001304.db2.gz KETVNECPPMTQJA-AWEZNQCLSA-N 2 2 356.492 0.527 20 0 FCADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172257 493001308 /nfs/dbraw/zinc/00/13/08/493001308.db2.gz KETVNECPPMTQJA-AWEZNQCLSA-N 2 2 356.492 0.527 20 0 FCADLP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000632490288 493008576 /nfs/dbraw/zinc/00/85/76/493008576.db2.gz GHCHKXWIALWWHD-UHFFFAOYSA-N 2 2 358.402 0.121 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652736650 493013556 /nfs/dbraw/zinc/01/35/56/493013556.db2.gz LHUKJBJLPAAEQF-QGZVFWFLSA-N 2 2 360.502 0.815 20 0 FCADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652736650 493013561 /nfs/dbraw/zinc/01/35/61/493013561.db2.gz LHUKJBJLPAAEQF-QGZVFWFLSA-N 2 2 360.502 0.815 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639485227 493013969 /nfs/dbraw/zinc/01/39/69/493013969.db2.gz HVFFQXINZVZEFB-SFHVURJKSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639485227 493013972 /nfs/dbraw/zinc/01/39/72/493013972.db2.gz HVFFQXINZVZEFB-SFHVURJKSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530504 493017457 /nfs/dbraw/zinc/01/74/57/493017457.db2.gz AMKAKINBKTVSIG-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639530504 493017459 /nfs/dbraw/zinc/01/74/59/493017459.db2.gz AMKAKINBKTVSIG-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639530504 493017463 /nfs/dbraw/zinc/01/74/63/493017463.db2.gz AMKAKINBKTVSIG-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639530504 493017466 /nfs/dbraw/zinc/01/74/66/493017466.db2.gz AMKAKINBKTVSIG-QZTJIDSGSA-N 2 2 367.515 0.637 20 0 FCADLP NS(=O)(=O)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639551160 493020136 /nfs/dbraw/zinc/02/01/36/493020136.db2.gz JCMQHARXHXBAAG-QGZVFWFLSA-N 2 2 353.488 0.376 20 0 FCADLP NS(=O)(=O)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639551160 493020137 /nfs/dbraw/zinc/02/01/37/493020137.db2.gz JCMQHARXHXBAAG-QGZVFWFLSA-N 2 2 353.488 0.376 20 0 FCADLP CNc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000626819165 493025382 /nfs/dbraw/zinc/02/53/82/493025382.db2.gz QGQVMJBLYISZMO-INIZCTEOSA-N 2 2 359.474 0.952 20 0 FCADLP CNc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000626819165 493025386 /nfs/dbraw/zinc/02/53/86/493025386.db2.gz QGQVMJBLYISZMO-INIZCTEOSA-N 2 2 359.474 0.952 20 0 FCADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CN1CC[NH2+]CC1=O ZINC000646254612 493033586 /nfs/dbraw/zinc/03/35/86/493033586.db2.gz PEAGUJGEHGAHBP-UHFFFAOYSA-N 2 2 352.401 0.541 20 0 FCADLP C[N@@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1(C)C ZINC000639748729 493044182 /nfs/dbraw/zinc/04/41/82/493044182.db2.gz BGUYGAGCJUBIDP-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP C[N@H+]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1(C)C ZINC000639748729 493044184 /nfs/dbraw/zinc/04/41/84/493044184.db2.gz BGUYGAGCJUBIDP-UHFFFAOYSA-N 2 2 350.467 0.773 20 0 FCADLP O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000639785894 493049561 /nfs/dbraw/zinc/04/95/61/493049561.db2.gz KIRUZEALOVVLPC-ROUUACIJSA-N 2 2 363.458 0.275 20 0 FCADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C)C1 ZINC000646528020 493055645 /nfs/dbraw/zinc/05/56/45/493055645.db2.gz VIOZYPVQOGJVPE-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C)C1 ZINC000646528020 493055651 /nfs/dbraw/zinc/05/56/51/493055651.db2.gz VIOZYPVQOGJVPE-MRXNPFEDSA-N 2 2 374.485 0.550 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000658800974 493058917 /nfs/dbraw/zinc/05/89/17/493058917.db2.gz DIDOESZVLBNDKM-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000658800974 493058918 /nfs/dbraw/zinc/05/89/18/493058918.db2.gz DIDOESZVLBNDKM-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000658800974 493058920 /nfs/dbraw/zinc/05/89/20/493058920.db2.gz DIDOESZVLBNDKM-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CCN(C(=O)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CC[NH+](C)C1 ZINC000658800974 493058921 /nfs/dbraw/zinc/05/89/21/493058921.db2.gz DIDOESZVLBNDKM-OALUTQOASA-N 2 2 372.513 0.924 20 0 FCADLP CCOc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000653061325 493065153 /nfs/dbraw/zinc/06/51/53/493065153.db2.gz LKMXAAIIETVUCL-ZDUSSCGKSA-N 2 2 372.491 0.553 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000653066091 493065464 /nfs/dbraw/zinc/06/54/64/493065464.db2.gz DKPDWCUCMLIFRU-MRXNPFEDSA-N 2 2 350.438 0.826 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000653060828 493065666 /nfs/dbraw/zinc/06/56/66/493065666.db2.gz TXJCLYZMPYYPPD-CQSZACIVSA-N 2 2 356.492 0.981 20 0 FCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000653068606 493066076 /nfs/dbraw/zinc/06/60/76/493066076.db2.gz KDLIABHWBCZQLY-OAHLLOKOSA-N 2 2 354.476 0.592 20 0 FCADLP Cc1cccc([C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000626933916 493066531 /nfs/dbraw/zinc/06/65/31/493066531.db2.gz PRZXWNAMARTRDJ-ZWKOTPCHSA-N 2 2 362.474 0.656 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000626931287 493066750 /nfs/dbraw/zinc/06/67/50/493066750.db2.gz ALJUDRRIKLXEIC-INIZCTEOSA-N 2 2 370.461 0.807 20 0 FCADLP CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653078777 493067157 /nfs/dbraw/zinc/06/71/57/493067157.db2.gz JNWVCURTFAUMML-INIZCTEOSA-N 2 2 370.519 0.410 20 0 FCADLP Cc1ccn2cc(CNC(=O)NCc3cn([C@H]4CC[NH2+]C4)nn3)[nH+]c2c1 ZINC000626945098 493069464 /nfs/dbraw/zinc/06/94/64/493069464.db2.gz GIZPKHUWGUDPIK-HNNXBMFYSA-N 2 2 354.418 0.768 20 0 FCADLP Cc1ccn2cc(CNC(=O)NCc3cn([C@@H]4CC[NH2+]C4)nn3)[nH+]c2c1 ZINC000626945099 493069599 /nfs/dbraw/zinc/06/95/99/493069599.db2.gz GIZPKHUWGUDPIK-OAHLLOKOSA-N 2 2 354.418 0.768 20 0 FCADLP COc1ccc(CN2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1F ZINC000653106038 493071028 /nfs/dbraw/zinc/07/10/28/493071028.db2.gz QPVUZGLHAYTJQL-INIZCTEOSA-N 2 2 352.454 0.758 20 0 FCADLP CC[C@@H](C)[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000653111366 493071393 /nfs/dbraw/zinc/07/13/93/493071393.db2.gz NIPOXLSKXCYROT-HPFXQQBRSA-N 2 2 368.522 0.483 20 0 FCADLP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653124618 493075212 /nfs/dbraw/zinc/07/52/12/493075212.db2.gz CFLADYQLTDXNJB-LJQANCHMSA-N 3 2 361.534 0.902 20 0 FCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000653147826 493077085 /nfs/dbraw/zinc/07/70/85/493077085.db2.gz BIFNXPMPHURXBV-SFHVURJKSA-N 3 2 363.506 0.412 20 0 FCADLP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000627005350 493079382 /nfs/dbraw/zinc/07/93/82/493079382.db2.gz XTWKRSNUIBMYOL-HIFRSBDPSA-N 2 2 356.434 0.286 20 0 FCADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049244 493079485 /nfs/dbraw/zinc/07/94/85/493079485.db2.gz KKFCFZHKSPDYEE-QGZVFWFLSA-N 2 2 363.458 0.335 20 0 FCADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640049244 493079491 /nfs/dbraw/zinc/07/94/91/493079491.db2.gz KKFCFZHKSPDYEE-QGZVFWFLSA-N 2 2 363.458 0.335 20 0 FCADLP C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1CC[NH3+] ZINC000653239610 493084726 /nfs/dbraw/zinc/08/47/26/493084726.db2.gz CIQJQVCGONSCNQ-BRWVUGGUSA-N 2 2 366.506 0.143 20 0 FCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126141 493092709 /nfs/dbraw/zinc/09/27/09/493092709.db2.gz BPFQMQFJEHUHEZ-SJORKVTESA-N 2 2 359.474 0.866 20 0 FCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126141 493092711 /nfs/dbraw/zinc/09/27/11/493092711.db2.gz BPFQMQFJEHUHEZ-SJORKVTESA-N 2 2 359.474 0.866 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000653354206 493098240 /nfs/dbraw/zinc/09/82/40/493098240.db2.gz QUCLPPVDFLNFQY-SFHVURJKSA-N 2 2 358.486 0.582 20 0 FCADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000653354206 493098244 /nfs/dbraw/zinc/09/82/44/493098244.db2.gz QUCLPPVDFLNFQY-SFHVURJKSA-N 2 2 358.486 0.582 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833756 493108452 /nfs/dbraw/zinc/10/84/52/493108452.db2.gz QJYMGEQIQKCSKH-CZUORRHYSA-N 2 2 354.401 0.633 20 0 FCADLP CC(=O)N[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000646833756 493108454 /nfs/dbraw/zinc/10/84/54/493108454.db2.gz QJYMGEQIQKCSKH-CZUORRHYSA-N 2 2 354.401 0.633 20 0 FCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000646840358 493110659 /nfs/dbraw/zinc/11/06/59/493110659.db2.gz KXDGKXWTTMUXMM-UGSOOPFHSA-N 2 2 363.458 0.637 20 0 FCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000646840358 493110663 /nfs/dbraw/zinc/11/06/63/493110663.db2.gz KXDGKXWTTMUXMM-UGSOOPFHSA-N 2 2 363.458 0.637 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640608833 493120397 /nfs/dbraw/zinc/12/03/97/493120397.db2.gz AYGCKSCVXFVZNX-INIZCTEOSA-N 2 2 351.451 0.300 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000653398758 493120825 /nfs/dbraw/zinc/12/08/25/493120825.db2.gz QUFWWTBDGCXBJT-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000653398758 493120828 /nfs/dbraw/zinc/12/08/28/493120828.db2.gz QUFWWTBDGCXBJT-HLLBOEOZSA-N 2 2 366.506 0.297 20 0 FCADLP C[NH2+]C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000658988471 493121652 /nfs/dbraw/zinc/12/16/52/493121652.db2.gz CORJGISBASGUOB-ZDUSSCGKSA-N 2 2 369.491 0.352 20 0 FCADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)n1 ZINC000658987021 493121708 /nfs/dbraw/zinc/12/17/08/493121708.db2.gz FVRKJKRXCWPOOT-UHFFFAOYSA-N 2 2 372.429 0.795 20 0 FCADLP COc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116298 493132598 /nfs/dbraw/zinc/13/25/98/493132598.db2.gz RPEVIHVHZUIKQL-GOEBONIOSA-N 2 2 360.458 0.288 20 0 FCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000633117387 493133337 /nfs/dbraw/zinc/13/33/37/493133337.db2.gz CJJDDYLITSPDEY-ZFWWWQNUSA-N 2 2 359.474 0.874 20 0 FCADLP C[NH+](C)[C@H](CNC(=O)Cn1cc(Cn2cc[nH+]c2)nn1)c1ccccc1 ZINC000640836741 493134251 /nfs/dbraw/zinc/13/42/51/493134251.db2.gz IFSUDVZOOJEXNN-QGZVFWFLSA-N 2 2 353.430 0.942 20 0 FCADLP C[NH+](C)[C@@H](CNC(=O)Cn1cc(Cn2cc[nH+]c2)nn1)c1ccccc1 ZINC000640836740 493134565 /nfs/dbraw/zinc/13/45/65/493134565.db2.gz IFSUDVZOOJEXNN-KRWDZBQOSA-N 2 2 353.430 0.942 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000627293570 493137836 /nfs/dbraw/zinc/13/78/36/493137836.db2.gz WOMYZCSDWNHHRW-KRWDZBQOSA-N 2 2 355.442 0.945 20 0 FCADLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633197205 493140493 /nfs/dbraw/zinc/14/04/93/493140493.db2.gz WAEDEGKVJBHCDU-INIZCTEOSA-N 2 2 369.473 0.805 20 0 FCADLP [NH3+]CCCc1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000640875731 493143827 /nfs/dbraw/zinc/14/38/27/493143827.db2.gz XPNGXHHQAJYBHA-UHFFFAOYSA-N 2 2 372.473 0.318 20 0 FCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000627312569 493146352 /nfs/dbraw/zinc/14/63/52/493146352.db2.gz BQJYVHVOCFXWKG-ULQDDVLXSA-N 2 2 366.506 0.202 20 0 FCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489149 493154645 /nfs/dbraw/zinc/15/46/45/493154645.db2.gz HLDJPULMRQQNRP-UKRRQHHQSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489149 493154649 /nfs/dbraw/zinc/15/46/49/493154649.db2.gz HLDJPULMRQQNRP-UKRRQHHQSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489149 493154652 /nfs/dbraw/zinc/15/46/52/493154652.db2.gz HLDJPULMRQQNRP-UKRRQHHQSA-N 2 2 359.492 0.266 20 0 FCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000653489149 493154654 /nfs/dbraw/zinc/15/46/54/493154654.db2.gz HLDJPULMRQQNRP-UKRRQHHQSA-N 2 2 359.492 0.266 20 0 FCADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000647082126 493159291 /nfs/dbraw/zinc/15/92/91/493159291.db2.gz KLSIGZLAKDOPTA-QAPCUYQASA-N 2 2 364.465 0.831 20 0 FCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000653557979 493159873 /nfs/dbraw/zinc/15/98/73/493159873.db2.gz QEXDALDLESWIJK-MRXNPFEDSA-N 2 2 366.481 0.486 20 0 FCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000653557979 493159874 /nfs/dbraw/zinc/15/98/74/493159874.db2.gz QEXDALDLESWIJK-MRXNPFEDSA-N 2 2 366.481 0.486 20 0 FCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000653572006 493161093 /nfs/dbraw/zinc/16/10/93/493161093.db2.gz JHFCEXHRCUDHNS-INIZCTEOSA-N 2 2 365.474 0.982 20 0 FCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000653572006 493161096 /nfs/dbraw/zinc/16/10/96/493161096.db2.gz JHFCEXHRCUDHNS-INIZCTEOSA-N 2 2 365.474 0.982 20 0 FCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000641180808 493176113 /nfs/dbraw/zinc/17/61/13/493176113.db2.gz GMJJECYZUPOBHF-UHFFFAOYSA-N 2 2 373.501 0.985 20 0 FCADLP COCC[N@H+](C)Cc1cn(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641228724 493185371 /nfs/dbraw/zinc/18/53/71/493185371.db2.gz CPYZOEBASBXKCR-LJQANCHMSA-N 2 2 359.474 0.993 20 0 FCADLP COCC[N@@H+](C)Cc1cn(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000641228724 493185377 /nfs/dbraw/zinc/18/53/77/493185377.db2.gz CPYZOEBASBXKCR-LJQANCHMSA-N 2 2 359.474 0.993 20 0 FCADLP COCC[NH+](C)Cc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641228724 493185385 /nfs/dbraw/zinc/18/53/85/493185385.db2.gz CPYZOEBASBXKCR-LJQANCHMSA-N 2 2 359.474 0.993 20 0 FCADLP COCC[NH+](C)Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641228724 493185392 /nfs/dbraw/zinc/18/53/92/493185392.db2.gz CPYZOEBASBXKCR-LJQANCHMSA-N 2 2 359.474 0.993 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1C ZINC000672524864 493190677 /nfs/dbraw/zinc/19/06/77/493190677.db2.gz PNUKIUKLIOPCCT-INIZCTEOSA-N 2 2 370.457 0.405 20 0 FCADLP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1C ZINC000672524864 493190684 /nfs/dbraw/zinc/19/06/84/493190684.db2.gz PNUKIUKLIOPCCT-INIZCTEOSA-N 2 2 370.457 0.405 20 0 FCADLP Cn1ccc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000647324807 493194126 /nfs/dbraw/zinc/19/41/26/493194126.db2.gz JFBOHUMNSYWIOC-UHFFFAOYSA-N 2 2 363.487 0.692 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659344583 493195391 /nfs/dbraw/zinc/19/53/91/493195391.db2.gz HQJRTGZOFJLCCS-AEFFLSMTSA-N 2 2 362.518 0.872 20 0 FCADLP CN(C(=O)C(=O)N1CC[C@@H](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659344583 493195398 /nfs/dbraw/zinc/19/53/98/493195398.db2.gz HQJRTGZOFJLCCS-AEFFLSMTSA-N 2 2 362.518 0.872 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C)[C@H]1CCC[NH2+]C1 ZINC000659511047 493203230 /nfs/dbraw/zinc/20/32/30/493203230.db2.gz NUBRWNGYUZDLGP-TTZDDIAXSA-N 2 2 362.478 0.769 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)CCC(=O)N1C ZINC000659544810 493209103 /nfs/dbraw/zinc/20/91/03/493209103.db2.gz XVTUXIZRHAIXLO-DZKIICNBSA-N 2 2 362.478 0.899 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672591942 493210677 /nfs/dbraw/zinc/21/06/77/493210677.db2.gz YJZHLJBAUHRATD-QFBILLFUSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@@]1(C)CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672591942 493210680 /nfs/dbraw/zinc/21/06/80/493210680.db2.gz YJZHLJBAUHRATD-QFBILLFUSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672591941 493210753 /nfs/dbraw/zinc/21/07/53/493210753.db2.gz YJZHLJBAUHRATD-LPHOPBHVSA-N 2 2 366.506 0.156 20 0 FCADLP CN(C(=O)C(=O)NC[C@]1(C)CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672591941 493210755 /nfs/dbraw/zinc/21/07/55/493210755.db2.gz YJZHLJBAUHRATD-LPHOPBHVSA-N 2 2 366.506 0.156 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666663209 493212039 /nfs/dbraw/zinc/21/20/39/493212039.db2.gz KRNLGKORSIZUNS-OAHLLOKOSA-N 2 2 365.522 0.985 20 0 FCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666663209 493212041 /nfs/dbraw/zinc/21/20/41/493212041.db2.gz KRNLGKORSIZUNS-OAHLLOKOSA-N 2 2 365.522 0.985 20 0 FCADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000666674547 493214423 /nfs/dbraw/zinc/21/44/23/493214423.db2.gz VWJUBEWJGKHPDH-KRWDZBQOSA-N 3 2 360.506 0.853 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C(C)(C)O)C2)CC1 ZINC000672637960 493219642 /nfs/dbraw/zinc/21/96/42/493219642.db2.gz AZDBHQKRHZPSPI-HOCLYGCPSA-N 2 2 366.506 0.033 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C(C)(C)O)C2)CC1 ZINC000672637960 493219646 /nfs/dbraw/zinc/21/96/46/493219646.db2.gz AZDBHQKRHZPSPI-HOCLYGCPSA-N 2 2 366.506 0.033 20 0 FCADLP CCCC[C@@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638073 493219981 /nfs/dbraw/zinc/21/99/81/493219981.db2.gz DCPKHCNPZUDADB-HOTGVXAUSA-N 2 2 368.522 0.593 20 0 FCADLP CCCC[C@@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638073 493219984 /nfs/dbraw/zinc/21/99/84/493219984.db2.gz DCPKHCNPZUDADB-HOTGVXAUSA-N 2 2 368.522 0.593 20 0 FCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637869 493220931 /nfs/dbraw/zinc/22/09/31/493220931.db2.gz OQXDROVSSNCJBO-BEFAXECRSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@]1(C)CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672637869 493220934 /nfs/dbraw/zinc/22/09/34/493220934.db2.gz OQXDROVSSNCJBO-BEFAXECRSA-N 2 2 366.506 0.299 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666720926 493221026 /nfs/dbraw/zinc/22/10/26/493221026.db2.gz WUPVRJRZUQNBML-UHFFFAOYSA-N 2 2 368.507 0.409 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666720926 493221030 /nfs/dbraw/zinc/22/10/30/493221030.db2.gz WUPVRJRZUQNBML-UHFFFAOYSA-N 2 2 368.507 0.409 20 0 FCADLP Cc1ccncc1[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638042 493221121 /nfs/dbraw/zinc/22/11/21/493221121.db2.gz QPEMVBXKDIMMNH-HOTGVXAUSA-N 2 2 373.501 0.852 20 0 FCADLP Cc1ccncc1[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638042 493221124 /nfs/dbraw/zinc/22/11/24/493221124.db2.gz QPEMVBXKDIMMNH-HOTGVXAUSA-N 2 2 373.501 0.852 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641962 493225581 /nfs/dbraw/zinc/22/55/81/493225581.db2.gz UUNVEVSZOFYAME-UONOGXRCSA-N 2 2 372.460 0.823 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000672641962 493225584 /nfs/dbraw/zinc/22/55/84/493225584.db2.gz UUNVEVSZOFYAME-UONOGXRCSA-N 2 2 372.460 0.823 20 0 FCADLP CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641491 493226040 /nfs/dbraw/zinc/22/60/40/493226040.db2.gz QLIJRCPVJGYYCS-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641491 493226042 /nfs/dbraw/zinc/22/60/42/493226042.db2.gz QLIJRCPVJGYYCS-HLLBOEOZSA-N 2 2 350.507 0.966 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCSC(C)(C)C3)C2)CC1 ZINC000672642075 493227160 /nfs/dbraw/zinc/22/71/60/493227160.db2.gz XCVORJCBMSJVAI-AWEZNQCLSA-N 2 2 368.547 0.625 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCSC(C)(C)C3)C2)CC1 ZINC000672642075 493227163 /nfs/dbraw/zinc/22/71/63/493227163.db2.gz XCVORJCBMSJVAI-AWEZNQCLSA-N 2 2 368.547 0.625 20 0 FCADLP CCCN(C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1[nH+]ccn1C)[C@@H]1CC[NH2+]C1 ZINC000659639718 493227386 /nfs/dbraw/zinc/22/73/86/493227386.db2.gz CMKQHYNDMHSZMW-IIAWOOMASA-N 2 2 362.478 0.866 20 0 FCADLP C[C@H]1c2cccn2CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643375 493228062 /nfs/dbraw/zinc/22/80/62/493228062.db2.gz WNCAQGBBKZDFPU-JKSUJKDBSA-N 2 2 373.501 0.676 20 0 FCADLP C[C@H]1c2cccn2CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643375 493228065 /nfs/dbraw/zinc/22/80/65/493228065.db2.gz WNCAQGBBKZDFPU-JKSUJKDBSA-N 2 2 373.501 0.676 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCCS3)C2)CC1 ZINC000672642681 493228130 /nfs/dbraw/zinc/22/81/30/493228130.db2.gz CWWGDXPCPLVAGL-HOCLYGCPSA-N 2 2 368.547 0.673 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCCS3)C2)CC1 ZINC000672642681 493228133 /nfs/dbraw/zinc/22/81/33/493228133.db2.gz CWWGDXPCPLVAGL-HOCLYGCPSA-N 2 2 368.547 0.673 20 0 FCADLP C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643017 493228384 /nfs/dbraw/zinc/22/83/84/493228384.db2.gz MRULCQPPPKIILL-QLFBSQMISA-N 2 2 368.547 0.624 20 0 FCADLP C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643017 493228387 /nfs/dbraw/zinc/22/83/87/493228387.db2.gz MRULCQPPPKIILL-QLFBSQMISA-N 2 2 368.547 0.624 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672692598 493233668 /nfs/dbraw/zinc/23/36/68/493233668.db2.gz GIQGTRPKVIEZMC-IRXDYDNUSA-N 2 2 366.506 0.300 20 0 FCADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000641423386 493233915 /nfs/dbraw/zinc/23/39/15/493233915.db2.gz AANYVDVQIKQBRB-CYBMUJFWSA-N 2 2 351.426 0.230 20 0 FCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672705570 493237330 /nfs/dbraw/zinc/23/73/30/493237330.db2.gz GFDCVTVGBIXFCB-IYBDPMFKSA-N 2 2 370.538 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672705570 493237336 /nfs/dbraw/zinc/23/73/36/493237336.db2.gz GFDCVTVGBIXFCB-IYBDPMFKSA-N 2 2 370.538 0.972 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672705570 493237340 /nfs/dbraw/zinc/23/73/40/493237340.db2.gz GFDCVTVGBIXFCB-IYBDPMFKSA-N 2 2 370.538 0.972 20 0 FCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000672705570 493237343 /nfs/dbraw/zinc/23/73/43/493237343.db2.gz GFDCVTVGBIXFCB-IYBDPMFKSA-N 2 2 370.538 0.972 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000672762566 493246705 /nfs/dbraw/zinc/24/67/05/493246705.db2.gz IAGXAGAGXZYSCP-LSDHHAIUSA-N 2 2 357.458 0.900 20 0 FCADLP Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000672762566 493246709 /nfs/dbraw/zinc/24/67/09/493246709.db2.gz IAGXAGAGXZYSCP-LSDHHAIUSA-N 2 2 357.458 0.900 20 0 FCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000659683134 493250147 /nfs/dbraw/zinc/25/01/47/493250147.db2.gz OBWQCQVGUPRXHA-CQSZACIVSA-N 2 2 361.421 0.961 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@H+](CCO)C(C)(C)C3)c2)CC1 ZINC000682008631 493261002 /nfs/dbraw/zinc/26/10/02/493261002.db2.gz HOCIFNHADWQKFH-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)c2)CC1 ZINC000682008631 493261007 /nfs/dbraw/zinc/26/10/07/493261007.db2.gz HOCIFNHADWQKFH-UHFFFAOYSA-N 2 2 374.529 0.963 20 0 FCADLP C[C@H](NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000659715871 493268954 /nfs/dbraw/zinc/26/89/54/493268954.db2.gz RPNFXIUGSUWAHI-GJZGRUSLSA-N 2 2 359.474 0.802 20 0 FCADLP CC1(C)CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000672951386 493269509 /nfs/dbraw/zinc/26/95/09/493269509.db2.gz FGJSXLFYENLJNB-IRXDYDNUSA-N 2 2 368.522 0.728 20 0 FCADLP CC1(C)CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000672951386 493269513 /nfs/dbraw/zinc/26/95/13/493269513.db2.gz FGJSXLFYENLJNB-IRXDYDNUSA-N 2 2 368.522 0.728 20 0 FCADLP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659720289 493271097 /nfs/dbraw/zinc/27/10/97/493271097.db2.gz SGCGVZQHNPVMOV-QGZVFWFLSA-N 2 2 366.506 0.348 20 0 FCADLP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659735352 493278663 /nfs/dbraw/zinc/27/86/63/493278663.db2.gz RYVSJNDSUOWXJF-MRXNPFEDSA-N 3 2 365.522 0.001 20 0 FCADLP CN(C(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659735352 493278665 /nfs/dbraw/zinc/27/86/65/493278665.db2.gz RYVSJNDSUOWXJF-MRXNPFEDSA-N 3 2 365.522 0.001 20 0 FCADLP CCn1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682229691 493281035 /nfs/dbraw/zinc/28/10/35/493281035.db2.gz LRWZATIBPFIJIT-MRXNPFEDSA-N 2 2 362.478 0.468 20 0 FCADLP CCn1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682229691 493281038 /nfs/dbraw/zinc/28/10/38/493281038.db2.gz LRWZATIBPFIJIT-MRXNPFEDSA-N 2 2 362.478 0.468 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3OCO4)C2)CC1 ZINC000682271208 493284613 /nfs/dbraw/zinc/28/46/13/493284613.db2.gz YKJOOTNVIAQSLW-CYBMUJFWSA-N 2 2 374.441 0.639 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3OCO4)C2)CC1 ZINC000682271208 493284617 /nfs/dbraw/zinc/28/46/17/493284617.db2.gz YKJOOTNVIAQSLW-CYBMUJFWSA-N 2 2 374.441 0.639 20 0 FCADLP CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682270554 493284957 /nfs/dbraw/zinc/28/49/57/493284957.db2.gz XLPVIQXZMJLDGU-CQSZACIVSA-N 2 2 362.478 0.687 20 0 FCADLP CC(C)n1nccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682270554 493284960 /nfs/dbraw/zinc/28/49/60/493284960.db2.gz XLPVIQXZMJLDGU-CQSZACIVSA-N 2 2 362.478 0.687 20 0 FCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667540583 493289264 /nfs/dbraw/zinc/28/92/64/493289264.db2.gz OMTIMNHFMZVBTA-CRAIPNDOSA-N 2 2 372.469 0.668 20 0 FCADLP CN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682500204 493304616 /nfs/dbraw/zinc/30/46/16/493304616.db2.gz PZOHFWSNDSBKJY-ZOBUZTSGSA-N 2 2 350.507 0.905 20 0 FCADLP CN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682500204 493304617 /nfs/dbraw/zinc/30/46/17/493304617.db2.gz PZOHFWSNDSBKJY-ZOBUZTSGSA-N 2 2 350.507 0.905 20 0 FCADLP CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000673256368 493308219 /nfs/dbraw/zinc/30/82/19/493308219.db2.gz UYWXDGXSGSSKIH-UHFFFAOYSA-N 2 2 359.474 0.771 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000673284370 493311239 /nfs/dbraw/zinc/31/12/39/493311239.db2.gz KXLWWNRZOCLIAZ-KRWDZBQOSA-N 2 2 360.458 0.080 20 0 FCADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000673284370 493311241 /nfs/dbraw/zinc/31/12/41/493311241.db2.gz KXLWWNRZOCLIAZ-KRWDZBQOSA-N 2 2 360.458 0.080 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287890 493313567 /nfs/dbraw/zinc/31/35/67/493313567.db2.gz GPBGRJUOIAUGJJ-FSPWUOQZSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673287890 493313569 /nfs/dbraw/zinc/31/35/69/493313569.db2.gz GPBGRJUOIAUGJJ-FSPWUOQZSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673287890 493313572 /nfs/dbraw/zinc/31/35/72/493313572.db2.gz GPBGRJUOIAUGJJ-FSPWUOQZSA-N 2 2 356.470 0.888 20 0 FCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673287890 493313573 /nfs/dbraw/zinc/31/35/73/493313573.db2.gz GPBGRJUOIAUGJJ-FSPWUOQZSA-N 2 2 356.470 0.888 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000673301647 493315114 /nfs/dbraw/zinc/31/51/14/493315114.db2.gz LWUGHUROQJLCGJ-PMPSAXMXSA-N 2 2 359.474 0.718 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000673301647 493315116 /nfs/dbraw/zinc/31/51/16/493315116.db2.gz LWUGHUROQJLCGJ-PMPSAXMXSA-N 2 2 359.474 0.718 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000673303947 493315679 /nfs/dbraw/zinc/31/56/79/493315679.db2.gz PVELZXOMPQDNMP-HZPDHXFCSA-N 2 2 359.474 0.575 20 0 FCADLP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000673303947 493315681 /nfs/dbraw/zinc/31/56/81/493315681.db2.gz PVELZXOMPQDNMP-HZPDHXFCSA-N 2 2 359.474 0.575 20 0 FCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000660073947 493322200 /nfs/dbraw/zinc/32/22/00/493322200.db2.gz IHHBXEQCXFVZNX-KRWDZBQOSA-N 2 2 366.531 0.807 20 0 FCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000660073947 493322202 /nfs/dbraw/zinc/32/22/02/493322202.db2.gz IHHBXEQCXFVZNX-KRWDZBQOSA-N 2 2 366.531 0.807 20 0 FCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664679 493371192 /nfs/dbraw/zinc/37/11/92/493371192.db2.gz RPOOYSWMJMPFPC-LJQANCHMSA-N 2 2 358.490 0.543 20 0 FCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664679 493371195 /nfs/dbraw/zinc/37/11/95/493371195.db2.gz RPOOYSWMJMPFPC-LJQANCHMSA-N 2 2 358.490 0.543 20 0 FCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664679 493371198 /nfs/dbraw/zinc/37/11/98/493371198.db2.gz RPOOYSWMJMPFPC-LJQANCHMSA-N 2 2 358.490 0.543 20 0 FCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCN(c3cnccn3)CC1)C2 ZINC000660664679 493371201 /nfs/dbraw/zinc/37/12/01/493371201.db2.gz RPOOYSWMJMPFPC-LJQANCHMSA-N 2 2 358.490 0.543 20 0 FCADLP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842229 493373943 /nfs/dbraw/zinc/37/39/43/493373943.db2.gz SAKPHGZWXLHBMP-YQQAZPJKSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842229 493373945 /nfs/dbraw/zinc/37/39/45/493373945.db2.gz SAKPHGZWXLHBMP-YQQAZPJKSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000683842229 493373948 /nfs/dbraw/zinc/37/39/48/493373948.db2.gz SAKPHGZWXLHBMP-YQQAZPJKSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000683842229 493373949 /nfs/dbraw/zinc/37/39/49/493373949.db2.gz SAKPHGZWXLHBMP-YQQAZPJKSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842223 493374017 /nfs/dbraw/zinc/37/40/17/493374017.db2.gz SAKPHGZWXLHBMP-INMHGKMJSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000683842223 493374020 /nfs/dbraw/zinc/37/40/20/493374020.db2.gz SAKPHGZWXLHBMP-INMHGKMJSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000683842223 493374022 /nfs/dbraw/zinc/37/40/22/493374022.db2.gz SAKPHGZWXLHBMP-INMHGKMJSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000683842223 493374025 /nfs/dbraw/zinc/37/40/25/493374025.db2.gz SAKPHGZWXLHBMP-INMHGKMJSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842221 493374057 /nfs/dbraw/zinc/37/40/57/493374057.db2.gz SAKPHGZWXLHBMP-BFYDXBDKSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000683842221 493374059 /nfs/dbraw/zinc/37/40/59/493374059.db2.gz SAKPHGZWXLHBMP-BFYDXBDKSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000683842221 493374061 /nfs/dbraw/zinc/37/40/61/493374061.db2.gz SAKPHGZWXLHBMP-BFYDXBDKSA-N 2 2 354.495 0.600 20 0 FCADLP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000683842221 493374062 /nfs/dbraw/zinc/37/40/62/493374062.db2.gz SAKPHGZWXLHBMP-BFYDXBDKSA-N 2 2 354.495 0.600 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000673993857 493380638 /nfs/dbraw/zinc/38/06/38/493380638.db2.gz SNNWHRYYIBHQFT-HOTGVXAUSA-N 2 2 358.446 0.961 20 0 FCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000683947742 493381176 /nfs/dbraw/zinc/38/11/76/493381176.db2.gz ODDDURXLEGLKDK-ZWKOTPCHSA-N 2 2 367.515 0.968 20 0 FCADLP CN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616900 493384835 /nfs/dbraw/zinc/38/48/35/493384835.db2.gz HDNLGLMNHGONGD-HNNXBMFYSA-N 2 2 363.510 0.598 20 0 FCADLP CN(C(=O)Cc1nnn(C(C)(C)C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616900 493384837 /nfs/dbraw/zinc/38/48/37/493384837.db2.gz HDNLGLMNHGONGD-HNNXBMFYSA-N 2 2 363.510 0.598 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cnc4c3ncnc4N)C2)CC1 ZINC000668640294 493388736 /nfs/dbraw/zinc/38/87/36/493388736.db2.gz QVTOIRKHARIJLT-CYBMUJFWSA-N 2 2 372.477 0.083 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCn3cnc4c3ncnc4N)C2)CC1 ZINC000668640294 493388737 /nfs/dbraw/zinc/38/87/37/493388737.db2.gz QVTOIRKHARIJLT-CYBMUJFWSA-N 2 2 372.477 0.083 20 0 FCADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000674321219 493408272 /nfs/dbraw/zinc/40/82/72/493408272.db2.gz RETJVNVQHXEPKB-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000674321219 493408274 /nfs/dbraw/zinc/40/82/74/493408274.db2.gz RETJVNVQHXEPKB-UHFFFAOYSA-N 2 2 360.458 0.798 20 0 FCADLP C[N@@H+]1CCCN(CCCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000684441693 493413257 /nfs/dbraw/zinc/41/32/57/493413257.db2.gz MLYHDBKKJODYNV-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP C[N@H+]1CCCN(CCCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000684441693 493413260 /nfs/dbraw/zinc/41/32/60/493413260.db2.gz MLYHDBKKJODYNV-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+]1CCCN(CCCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000684441693 493413263 /nfs/dbraw/zinc/41/32/63/493413263.db2.gz MLYHDBKKJODYNV-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP C[NH+]1CCCN(CCCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000684441693 493413267 /nfs/dbraw/zinc/41/32/67/493413267.db2.gz MLYHDBKKJODYNV-GOSISDBHSA-N 2 2 352.523 0.774 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000661172172 493414960 /nfs/dbraw/zinc/41/49/60/493414960.db2.gz NQDLOSNQTFMXMJ-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000661172172 493414963 /nfs/dbraw/zinc/41/49/63/493414963.db2.gz NQDLOSNQTFMXMJ-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000668849447 493421476 /nfs/dbraw/zinc/42/14/76/493421476.db2.gz ISCFEHMOXGWPKG-CGTJXYLNSA-N 2 2 362.474 0.818 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000684585229 493421572 /nfs/dbraw/zinc/42/15/72/493421572.db2.gz ZBDJYTBGFJFKMD-IUODEOHRSA-N 2 2 373.523 0.059 20 0 FCADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000684585229 493421576 /nfs/dbraw/zinc/42/15/76/493421576.db2.gz ZBDJYTBGFJFKMD-IUODEOHRSA-N 2 2 373.523 0.059 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3CCO4)C2)CC1 ZINC000684640084 493425194 /nfs/dbraw/zinc/42/51/94/493425194.db2.gz JBDSDOAXECUZRI-AWEZNQCLSA-N 2 2 372.469 0.845 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3CCO4)C2)CC1 ZINC000684640084 493425195 /nfs/dbraw/zinc/42/51/95/493425195.db2.gz JBDSDOAXECUZRI-AWEZNQCLSA-N 2 2 372.469 0.845 20 0 FCADLP CN(C)[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1c[nH+]cn1C ZINC000684830546 493433136 /nfs/dbraw/zinc/43/31/36/493433136.db2.gz IKYGKJRCVCGVLV-GOSISDBHSA-N 2 2 371.489 0.486 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000661403505 493435650 /nfs/dbraw/zinc/43/56/50/493435650.db2.gz RNYRZCQRVOKDGD-SJLPKXTDSA-N 2 2 371.485 0.591 20 0 FCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000661403505 493435653 /nfs/dbraw/zinc/43/56/53/493435653.db2.gz RNYRZCQRVOKDGD-SJLPKXTDSA-N 2 2 371.485 0.591 20 0 FCADLP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000684966695 493440006 /nfs/dbraw/zinc/44/00/06/493440006.db2.gz MAODJRMZANZCKV-CQSZACIVSA-N 2 2 373.494 0.940 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661507788 493443407 /nfs/dbraw/zinc/44/34/07/493443407.db2.gz LLIJXQZGBIBCEJ-GOEBONIOSA-N 2 2 365.522 0.854 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661507788 493443410 /nfs/dbraw/zinc/44/34/10/493443410.db2.gz LLIJXQZGBIBCEJ-GOEBONIOSA-N 2 2 365.522 0.854 20 0 FCADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000685081441 493447633 /nfs/dbraw/zinc/44/76/33/493447633.db2.gz IMWZFMRBJCJUHI-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000685081441 493447637 /nfs/dbraw/zinc/44/76/37/493447637.db2.gz IMWZFMRBJCJUHI-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000685081441 493447639 /nfs/dbraw/zinc/44/76/39/493447639.db2.gz IMWZFMRBJCJUHI-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000685081441 493447643 /nfs/dbraw/zinc/44/76/43/493447643.db2.gz IMWZFMRBJCJUHI-IAGOWNOFSA-N 2 2 368.522 0.308 20 0 FCADLP O=C(CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601278 493451129 /nfs/dbraw/zinc/45/11/29/493451129.db2.gz QACJQZGYCQXNAH-IRXDYDNUSA-N 2 2 371.485 0.721 20 0 FCADLP O=C(CC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661601278 493451131 /nfs/dbraw/zinc/45/11/31/493451131.db2.gz QACJQZGYCQXNAH-IRXDYDNUSA-N 2 2 371.485 0.721 20 0 FCADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H]1COCCO1 ZINC000661608619 493451815 /nfs/dbraw/zinc/45/18/15/493451815.db2.gz WUGAPZRUQHUEOO-OAHLLOKOSA-N 2 2 353.488 0.740 20 0 FCADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H]1COCCO1 ZINC000661608619 493451819 /nfs/dbraw/zinc/45/18/19/493451819.db2.gz WUGAPZRUQHUEOO-OAHLLOKOSA-N 2 2 353.488 0.740 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618403 493453263 /nfs/dbraw/zinc/45/32/63/493453263.db2.gz AUMJLHCZGGERKM-SJLPKXTDSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(O)(CO)CC1 ZINC000661618403 493453266 /nfs/dbraw/zinc/45/32/66/493453266.db2.gz AUMJLHCZGGERKM-SJLPKXTDSA-N 2 2 361.486 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305841 493473781 /nfs/dbraw/zinc/47/37/81/493473781.db2.gz ZXFRJPXVUYZEPW-VQIMIIECSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685305841 493473783 /nfs/dbraw/zinc/47/37/83/493473783.db2.gz ZXFRJPXVUYZEPW-VQIMIIECSA-N 2 2 370.497 0.930 20 0 FCADLP C[C@@H]1CN(CC[N@@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@@H](C)[C@@H]2C)CCO1 ZINC000662226267 493498485 /nfs/dbraw/zinc/49/84/85/493498485.db2.gz YNHJRRYVNTUDRS-ZRNYENFQSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[N@H+]2CCN(CC[NH+]3CCO[C@H](C)C3)[C@@H](C)[C@@H]2C)CCO1 ZINC000662226267 493498488 /nfs/dbraw/zinc/49/84/88/493498488.db2.gz YNHJRRYVNTUDRS-ZRNYENFQSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@@H+]3CCO[C@H](C)C3)[C@@H](C)[C@@H]2C)CCO1 ZINC000662226267 493498490 /nfs/dbraw/zinc/49/84/90/493498490.db2.gz YNHJRRYVNTUDRS-ZRNYENFQSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1CN(CC[NH+]2CCN(CC[N@H+]3CCO[C@H](C)C3)[C@@H](C)[C@@H]2C)CCO1 ZINC000662226267 493498493 /nfs/dbraw/zinc/49/84/93/493498493.db2.gz YNHJRRYVNTUDRS-ZRNYENFQSA-N 2 2 368.566 0.822 20 0 FCADLP C[C@@H]1[C@H](C)[N@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000662223800 493498537 /nfs/dbraw/zinc/49/85/37/493498537.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1[C@H](C)[N@@H+](CCCN2CCOCC2)CCN1CCC[NH+]1CCOCC1 ZINC000662223800 493498540 /nfs/dbraw/zinc/49/85/40/493498540.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1[C@H](C)N(CCC[NH+]2CCOCC2)CC[N@H+]1CCCN1CCOCC1 ZINC000662223800 493498541 /nfs/dbraw/zinc/49/85/41/493498541.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP C[C@@H]1[C@H](C)N(CCC[NH+]2CCOCC2)CC[N@@H+]1CCCN1CCOCC1 ZINC000662223800 493498544 /nfs/dbraw/zinc/49/85/44/493498544.db2.gz MPBCXIAIZYDKPC-BGYRXZFFSA-N 2 2 368.566 0.826 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(Nc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000675720590 493499572 /nfs/dbraw/zinc/49/95/72/493499572.db2.gz CMZVTGNENRGCJY-UHFFFAOYSA-N 2 2 362.478 0.716 20 0 FCADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285994 493502307 /nfs/dbraw/zinc/50/23/07/493502307.db2.gz FFPOMSHAWROPPA-UHFFFAOYSA-N 2 2 353.438 0.757 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCCc1ccc(OC(F)F)cc1 ZINC000662285405 493502626 /nfs/dbraw/zinc/50/26/26/493502626.db2.gz GUIYJLPWIMPRSO-UHFFFAOYSA-N 2 2 357.401 0.651 20 0 FCADLP COCCOc1cccc(CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662287065 493503193 /nfs/dbraw/zinc/50/31/93/493503193.db2.gz RMHPXRPOFWVYJU-UHFFFAOYSA-N 2 2 351.447 0.032 20 0 FCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000662287059 493503341 /nfs/dbraw/zinc/50/33/41/493503341.db2.gz RHKJVQWRTSBZQU-INIZCTEOSA-N 2 2 351.422 0.430 20 0 FCADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)[nH+]c12 ZINC000669512089 493508201 /nfs/dbraw/zinc/50/82/01/493508201.db2.gz VKKMCSIOSUXSJY-OAHLLOKOSA-N 2 2 372.473 0.682 20 0 FCADLP C[NH+]1CCN(c2ccc(NC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)nc2)CC1 ZINC000662389165 493511672 /nfs/dbraw/zinc/51/16/72/493511672.db2.gz YASWDEXIQVHWPJ-CYBMUJFWSA-N 2 2 355.446 0.886 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000662439082 493515089 /nfs/dbraw/zinc/51/50/89/493515089.db2.gz HOUACTASDRFCGT-INIZCTEOSA-N 2 2 371.441 0.986 20 0 FCADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000662439082 493515091 /nfs/dbraw/zinc/51/50/91/493515091.db2.gz HOUACTASDRFCGT-INIZCTEOSA-N 2 2 371.441 0.986 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000662458004 493517951 /nfs/dbraw/zinc/51/79/51/493517951.db2.gz ORCJBFJQVZPDOS-OWCLPIDISA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000662458004 493517953 /nfs/dbraw/zinc/51/79/53/493517953.db2.gz ORCJBFJQVZPDOS-OWCLPIDISA-N 2 2 374.489 0.526 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669657694 493519259 /nfs/dbraw/zinc/51/92/59/493519259.db2.gz ZEDIQESSVCKHBR-IXDOHACOSA-N 2 2 354.495 0.459 20 0 FCADLP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669657694 493519262 /nfs/dbraw/zinc/51/92/62/493519262.db2.gz ZEDIQESSVCKHBR-IXDOHACOSA-N 2 2 354.495 0.459 20 0 FCADLP Cc1c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662531659 493524101 /nfs/dbraw/zinc/52/41/01/493524101.db2.gz ZQIOWXBBAIGPEU-BZUAXINKSA-N 2 2 362.478 0.494 20 0 FCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662697614 493532527 /nfs/dbraw/zinc/53/25/27/493532527.db2.gz GSDSCKIURWNNBR-SJLPKXTDSA-N 2 2 363.458 0.378 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662698962 493532634 /nfs/dbraw/zinc/53/26/34/493532634.db2.gz NNHLLDVDBUAITH-ROUUACIJSA-N 2 2 363.458 0.378 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246418 493534709 /nfs/dbraw/zinc/53/47/09/493534709.db2.gz UBOBXMCZYDUMHZ-UXLLHSPISA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246418 493534711 /nfs/dbraw/zinc/53/47/11/493534711.db2.gz UBOBXMCZYDUMHZ-UXLLHSPISA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246418 493534712 /nfs/dbraw/zinc/53/47/12/493534712.db2.gz UBOBXMCZYDUMHZ-UXLLHSPISA-N 3 2 353.511 0.173 20 0 FCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246418 493534714 /nfs/dbraw/zinc/53/47/14/493534714.db2.gz UBOBXMCZYDUMHZ-UXLLHSPISA-N 3 2 353.511 0.173 20 0 FCADLP CC(C)c1ccnc(N2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000669933432 493535317 /nfs/dbraw/zinc/53/53/17/493535317.db2.gz IQLRFEXRYZWJSF-UHFFFAOYSA-N 2 2 360.506 0.886 20 0 FCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000662758580 493540000 /nfs/dbraw/zinc/54/00/00/493540000.db2.gz QLKDMABSXXJBSW-YOEHRIQHSA-N 2 2 373.457 0.740 20 0 FCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000662758577 493540053 /nfs/dbraw/zinc/54/00/53/493540053.db2.gz QLKDMABSXXJBSW-WMLDXEAASA-N 2 2 373.457 0.740 20 0 FCADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676387280 493548107 /nfs/dbraw/zinc/54/81/07/493548107.db2.gz FCRAHOCLUHOJRV-AZUAARDMSA-N 2 2 359.470 0.557 20 0 FCADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676387280 493548108 /nfs/dbraw/zinc/54/81/08/493548108.db2.gz FCRAHOCLUHOJRV-AZUAARDMSA-N 2 2 359.470 0.557 20 0 FCADLP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901106 493550036 /nfs/dbraw/zinc/55/00/36/493550036.db2.gz SPYADMCEWNCIRB-GOEBONIOSA-N 3 2 360.506 0.727 20 0 FCADLP CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901106 493550039 /nfs/dbraw/zinc/55/00/39/493550039.db2.gz SPYADMCEWNCIRB-GOEBONIOSA-N 3 2 360.506 0.727 20 0 FCADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662934602 493556395 /nfs/dbraw/zinc/55/63/95/493556395.db2.gz NPAJJSJJAZLIGK-UHFFFAOYSA-N 2 2 361.490 0.954 20 0 FCADLP CN(C(=O)C(=O)NCc1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670421641 493564173 /nfs/dbraw/zinc/56/41/73/493564173.db2.gz WVJRSIBCGQUCQA-KRWDZBQOSA-N 2 2 359.474 0.325 20 0 FCADLP CN(C(=O)C(=O)NCc1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670421641 493564174 /nfs/dbraw/zinc/56/41/74/493564174.db2.gz WVJRSIBCGQUCQA-KRWDZBQOSA-N 2 2 359.474 0.325 20 0 FCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662985153 493564519 /nfs/dbraw/zinc/56/45/19/493564519.db2.gz RVZPWCSKGLRHDQ-NUJGCVRESA-N 2 2 373.501 0.873 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662985073 493564723 /nfs/dbraw/zinc/56/47/23/493564723.db2.gz QIJHNJUDXDUZQX-NEWSRXKRSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000662985073 493564726 /nfs/dbraw/zinc/56/47/26/493564726.db2.gz QIJHNJUDXDUZQX-NEWSRXKRSA-N 2 2 372.513 0.958 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422963 493564857 /nfs/dbraw/zinc/56/48/57/493564857.db2.gz COKZYOIYVHJULB-CRAIPNDOSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422963 493564859 /nfs/dbraw/zinc/56/48/59/493564859.db2.gz COKZYOIYVHJULB-CRAIPNDOSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422966 493564914 /nfs/dbraw/zinc/56/49/14/493564914.db2.gz COKZYOIYVHJULB-YJBOKZPZSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000670422966 493564915 /nfs/dbraw/zinc/56/49/15/493564915.db2.gz COKZYOIYVHJULB-YJBOKZPZSA-N 2 2 373.501 0.886 20 0 FCADLP C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000676711650 493568333 /nfs/dbraw/zinc/56/83/33/493568333.db2.gz UIIGUHFEJAIDHJ-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP C[C@@H]1COCCC[N@H+]1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000676711650 493568335 /nfs/dbraw/zinc/56/83/35/493568335.db2.gz UIIGUHFEJAIDHJ-CQSZACIVSA-N 2 2 373.461 0.123 20 0 FCADLP COc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670493803 493574089 /nfs/dbraw/zinc/57/40/89/493574089.db2.gz GAIMFUQILNIFPD-MRXNPFEDSA-N 2 2 374.485 0.596 20 0 FCADLP COc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670493803 493574091 /nfs/dbraw/zinc/57/40/91/493574091.db2.gz GAIMFUQILNIFPD-MRXNPFEDSA-N 2 2 374.485 0.596 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670501491 493575154 /nfs/dbraw/zinc/57/51/54/493575154.db2.gz MGBOQOOZUVPGLX-KRWDZBQOSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000670501491 493575157 /nfs/dbraw/zinc/57/51/57/493575157.db2.gz MGBOQOOZUVPGLX-KRWDZBQOSA-N 2 2 358.486 0.896 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccs3)C2)CC1 ZINC000670504885 493575528 /nfs/dbraw/zinc/57/55/28/493575528.db2.gz WGZSQPKPCOHUEC-ZDUSSCGKSA-N 2 2 350.488 0.649 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccs3)C2)CC1 ZINC000670504885 493575530 /nfs/dbraw/zinc/57/55/30/493575530.db2.gz WGZSQPKPCOHUEC-ZDUSSCGKSA-N 2 2 350.488 0.649 20 0 FCADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000670546693 493579348 /nfs/dbraw/zinc/57/93/48/493579348.db2.gz BFNZTEGVQLBJEW-GJZGRUSLSA-N 2 2 359.474 0.544 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3cccs3)C2)CC1 ZINC000670638997 493583781 /nfs/dbraw/zinc/58/37/81/493583781.db2.gz AOTLJYOVMYDEOZ-CQSZACIVSA-N 2 2 364.515 0.692 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000663384566 493585977 /nfs/dbraw/zinc/58/59/77/493585977.db2.gz KOEUQBSNONZLNZ-UHFFFAOYSA-N 2 2 360.466 0.374 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000663385281 493586082 /nfs/dbraw/zinc/58/60/82/493586082.db2.gz XDWRSORDCGJSEP-UHFFFAOYSA-N 2 2 360.466 0.786 20 0 FCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663480184 493591728 /nfs/dbraw/zinc/59/17/28/493591728.db2.gz NYEVYQVVAUYLSV-YESZJQIVSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663480184 493591729 /nfs/dbraw/zinc/59/17/29/493591729.db2.gz NYEVYQVVAUYLSV-YESZJQIVSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663480184 493591730 /nfs/dbraw/zinc/59/17/30/493591730.db2.gz NYEVYQVVAUYLSV-YESZJQIVSA-N 2 2 356.511 0.752 20 0 FCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663480184 493591731 /nfs/dbraw/zinc/59/17/31/493591731.db2.gz NYEVYQVVAUYLSV-YESZJQIVSA-N 2 2 356.511 0.752 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670787486 493596773 /nfs/dbraw/zinc/59/67/73/493596773.db2.gz CAWZWAOPTDCADT-GDBMZVCRSA-N 2 2 355.442 0.736 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670787486 493596775 /nfs/dbraw/zinc/59/67/75/493596775.db2.gz CAWZWAOPTDCADT-GDBMZVCRSA-N 2 2 355.442 0.736 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670787487 493596888 /nfs/dbraw/zinc/59/68/88/493596888.db2.gz CAWZWAOPTDCADT-GOEBONIOSA-N 2 2 355.442 0.736 20 0 FCADLP O=C(NCCc1cn2ccccc2[nH+]1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670787487 493596889 /nfs/dbraw/zinc/59/68/89/493596889.db2.gz CAWZWAOPTDCADT-GOEBONIOSA-N 2 2 355.442 0.736 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000663561927 493598829 /nfs/dbraw/zinc/59/88/29/493598829.db2.gz WELVRJGULYYMSR-KSZLIROESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000663561927 493598830 /nfs/dbraw/zinc/59/88/30/493598830.db2.gz WELVRJGULYYMSR-KSZLIROESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000663561927 493598831 /nfs/dbraw/zinc/59/88/31/493598831.db2.gz WELVRJGULYYMSR-KSZLIROESA-N 2 2 369.554 0.667 20 0 FCADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000663561927 493598832 /nfs/dbraw/zinc/59/88/32/493598832.db2.gz WELVRJGULYYMSR-KSZLIROESA-N 2 2 369.554 0.667 20 0 FCADLP CC[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670849452 493606033 /nfs/dbraw/zinc/60/60/33/493606033.db2.gz NRISJMSNSOXPDD-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP CC[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670849452 493606037 /nfs/dbraw/zinc/60/60/37/493606037.db2.gz NRISJMSNSOXPDD-ZBFHGGJFSA-N 2 2 354.495 0.155 20 0 FCADLP Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670866666 493607255 /nfs/dbraw/zinc/60/72/55/493607255.db2.gz HJMCTTHOQWMLLI-QGZVFWFLSA-N 2 2 358.486 0.896 20 0 FCADLP Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000670866666 493607256 /nfs/dbraw/zinc/60/72/56/493607256.db2.gz HJMCTTHOQWMLLI-QGZVFWFLSA-N 2 2 358.486 0.896 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677740727 493614647 /nfs/dbraw/zinc/61/46/47/493614647.db2.gz XFKLNFRIQKHRSI-INIZCTEOSA-N 2 2 374.551 0.333 20 0 FCADLP CCCCS(=O)(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677740727 493614648 /nfs/dbraw/zinc/61/46/48/493614648.db2.gz XFKLNFRIQKHRSI-INIZCTEOSA-N 2 2 374.551 0.333 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000670982233 493618730 /nfs/dbraw/zinc/61/87/30/493618730.db2.gz CXLFYIKRCCELSB-QEJZJMRPSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000670982233 493618731 /nfs/dbraw/zinc/61/87/31/493618731.db2.gz CXLFYIKRCCELSB-QEJZJMRPSA-N 2 2 368.503 0.302 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000670983963 493619758 /nfs/dbraw/zinc/61/97/58/493619758.db2.gz FOGFDMVKKJTILH-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000670983963 493619759 /nfs/dbraw/zinc/61/97/59/493619759.db2.gz FOGFDMVKKJTILH-SJORKVTESA-N 2 2 366.506 0.158 20 0 FCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000670985268 493620847 /nfs/dbraw/zinc/62/08/47/493620847.db2.gz LKVSAGKJAYOYPH-NVXWUHKLSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000670985268 493620850 /nfs/dbraw/zinc/62/08/50/493620850.db2.gz LKVSAGKJAYOYPH-NVXWUHKLSA-N 2 2 360.458 0.909 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670997055 493621957 /nfs/dbraw/zinc/62/19/57/493621957.db2.gz UNPSVTDOOPHJDT-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)cn1 ZINC000678061419 493632423 /nfs/dbraw/zinc/63/24/23/493632423.db2.gz UOXLVHAQCDIMHI-KRWDZBQOSA-N 2 2 363.506 0.906 20 0 FCADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)cn1 ZINC000678061419 493632424 /nfs/dbraw/zinc/63/24/24/493632424.db2.gz UOXLVHAQCDIMHI-KRWDZBQOSA-N 2 2 363.506 0.906 20 0 FCADLP C[NH+](C)CCN1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1=O ZINC000664060100 493633041 /nfs/dbraw/zinc/63/30/41/493633041.db2.gz GVMUHWBAIBOFTF-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP C[NH+](C)CCN1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1=O ZINC000664060100 493633043 /nfs/dbraw/zinc/63/30/43/493633043.db2.gz GVMUHWBAIBOFTF-UHFFFAOYSA-N 2 2 362.478 0.038 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671102575 493633389 /nfs/dbraw/zinc/63/33/89/493633389.db2.gz ZLDHMDZTQZUJAG-HOCLYGCPSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671102575 493633392 /nfs/dbraw/zinc/63/33/92/493633392.db2.gz ZLDHMDZTQZUJAG-HOCLYGCPSA-N 2 2 359.474 0.621 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123193 493639201 /nfs/dbraw/zinc/63/92/01/493639201.db2.gz RXVBAGVSZJFKEB-KSSFIOAISA-N 2 2 356.470 0.890 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000671123193 493639202 /nfs/dbraw/zinc/63/92/02/493639202.db2.gz RXVBAGVSZJFKEB-KSSFIOAISA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000671123193 493639204 /nfs/dbraw/zinc/63/92/04/493639204.db2.gz RXVBAGVSZJFKEB-KSSFIOAISA-N 2 2 356.470 0.890 20 0 FCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000671123193 493639205 /nfs/dbraw/zinc/63/92/05/493639205.db2.gz RXVBAGVSZJFKEB-KSSFIOAISA-N 2 2 356.470 0.890 20 0 FCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000671126184 493639999 /nfs/dbraw/zinc/63/99/99/493639999.db2.gz FLPQQRICYBADPF-HNNXBMFYSA-N 2 2 361.490 0.869 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)[C@H](C)CO1 ZINC000664175536 493641627 /nfs/dbraw/zinc/64/16/27/493641627.db2.gz QCVPINLFAJFZEQ-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)[C@H](C)CO1 ZINC000664175536 493641629 /nfs/dbraw/zinc/64/16/29/493641629.db2.gz QCVPINLFAJFZEQ-IAGOWNOFSA-N 2 2 355.527 0.422 20 0 FCADLP C[C@@H](CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)C[NH+]1CCOCC1 ZINC000664192498 493643470 /nfs/dbraw/zinc/64/34/70/493643470.db2.gz ZDSKSXRJHXNAMA-KRWDZBQOSA-N 2 2 368.522 0.709 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000678443891 493644539 /nfs/dbraw/zinc/64/45/39/493644539.db2.gz ACNVDWRXNQVNEM-TXPKVOOTSA-N 2 2 366.506 0.792 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCO[C@]4(CCOC4)C3)C2)CC1 ZINC000678443891 493644541 /nfs/dbraw/zinc/64/45/41/493644541.db2.gz ACNVDWRXNQVNEM-TXPKVOOTSA-N 2 2 366.506 0.792 20 0 FCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671179886 493647295 /nfs/dbraw/zinc/64/72/95/493647295.db2.gz HXBWIDSKVQKUOM-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671179886 493647297 /nfs/dbraw/zinc/64/72/97/493647297.db2.gz HXBWIDSKVQKUOM-ZACQAIPSSA-N 2 2 364.490 0.053 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000671181248 493648063 /nfs/dbraw/zinc/64/80/63/493648063.db2.gz BVOSBLLLGGVABX-MSOLQXFVSA-N 2 2 356.470 0.861 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671181248 493648065 /nfs/dbraw/zinc/64/80/65/493648065.db2.gz BVOSBLLLGGVABX-MSOLQXFVSA-N 2 2 356.470 0.861 20 0 FCADLP CCCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671354017 493659302 /nfs/dbraw/zinc/65/93/02/493659302.db2.gz XNIBXYWKRPJOAQ-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP CCCCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671354017 493659305 /nfs/dbraw/zinc/65/93/05/493659305.db2.gz XNIBXYWKRPJOAQ-QGZVFWFLSA-N 2 2 368.522 0.546 20 0 FCADLP CC(C)[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(=O)N1CCCC1 ZINC000678779016 493659868 /nfs/dbraw/zinc/65/98/68/493659868.db2.gz WCOXCKUBUZEYTO-KRWDZBQOSA-N 2 2 368.522 0.450 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3nccs3)C2)CC1 ZINC000671363097 493660225 /nfs/dbraw/zinc/66/02/25/493660225.db2.gz YGHHIOLIJLCOLB-CYBMUJFWSA-N 2 2 365.503 0.087 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3nccs3)C2)CC1 ZINC000671363097 493660228 /nfs/dbraw/zinc/66/02/28/493660228.db2.gz YGHHIOLIJLCOLB-CYBMUJFWSA-N 2 2 365.503 0.087 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCc3nccs3)C2)CC1 ZINC000671363098 493660365 /nfs/dbraw/zinc/66/03/65/493660365.db2.gz YGHHIOLIJLCOLB-ZDUSSCGKSA-N 2 2 365.503 0.087 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCc3nccs3)C2)CC1 ZINC000671363098 493660367 /nfs/dbraw/zinc/66/03/67/493660367.db2.gz YGHHIOLIJLCOLB-ZDUSSCGKSA-N 2 2 365.503 0.087 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671378215 493662567 /nfs/dbraw/zinc/66/25/67/493662567.db2.gz OFDWNRIZUSAJFY-GOSISDBHSA-N 2 2 372.513 0.938 20 0 FCADLP Cc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000671378215 493662570 /nfs/dbraw/zinc/66/25/70/493662570.db2.gz OFDWNRIZUSAJFY-GOSISDBHSA-N 2 2 372.513 0.938 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000671390473 493663225 /nfs/dbraw/zinc/66/32/25/493663225.db2.gz RJPJJHRYCQEJIC-NVXWUHKLSA-N 2 2 362.474 0.070 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000671390473 493663231 /nfs/dbraw/zinc/66/32/31/493663231.db2.gz RJPJJHRYCQEJIC-NVXWUHKLSA-N 2 2 362.474 0.070 20 0 FCADLP C[C@@H](NC(=O)C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000671390473 493663232 /nfs/dbraw/zinc/66/32/32/493663232.db2.gz RJPJJHRYCQEJIC-NVXWUHKLSA-N 2 2 362.474 0.070 20 0 FCADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000671395316 493664373 /nfs/dbraw/zinc/66/43/73/493664373.db2.gz ZVAUKDFCEFSHOQ-GOSISDBHSA-N 2 2 356.470 0.815 20 0 FCADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc12 ZINC000678929770 493665157 /nfs/dbraw/zinc/66/51/57/493665157.db2.gz NAWLMDOOCDVURB-QGZVFWFLSA-N 2 2 358.490 0.773 20 0 FCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000664537472 493666464 /nfs/dbraw/zinc/66/64/64/493666464.db2.gz MDQULACRTCQCPW-GDBMZVCRSA-N 2 2 351.495 0.323 20 0 FCADLP Cn1cc[nH+]c1[C@H]1[C@H](CNc2cc(-n3cccn3)nc(N)[nH+]2)CC(=O)N1C ZINC000671468930 493674205 /nfs/dbraw/zinc/67/42/05/493674205.db2.gz VGMSMZNISKBQBJ-XHDPSFHLSA-N 2 2 367.417 0.610 20 0 FCADLP COCC1(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000679304671 493674254 /nfs/dbraw/zinc/67/42/54/493674254.db2.gz DHXBSDNFJXCQED-UHFFFAOYSA-N 2 2 366.506 0.110 20 0 FCADLP C[NH+]1CCN(CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000679583385 493687480 /nfs/dbraw/zinc/68/74/80/493687480.db2.gz YEJKDWOSJRGCTD-UHFFFAOYSA-N 2 2 352.523 0.585 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)C3CCOCC3)C2)CC1 ZINC000679869874 493698417 /nfs/dbraw/zinc/69/84/17/493698417.db2.gz JWZHOUZXNVCQMN-DOTOQJQBSA-N 2 2 354.495 0.242 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)C3CCOCC3)C2)CC1 ZINC000679869874 493698420 /nfs/dbraw/zinc/69/84/20/493698420.db2.gz JWZHOUZXNVCQMN-DOTOQJQBSA-N 2 2 354.495 0.242 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671820100 493707634 /nfs/dbraw/zinc/70/76/34/493707634.db2.gz GNGZUBJZRIXRIR-WBVHZDCISA-N 3 2 367.538 0.070 20 0 FCADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671820100 493707636 /nfs/dbraw/zinc/70/76/36/493707636.db2.gz GNGZUBJZRIXRIR-WBVHZDCISA-N 3 2 367.538 0.070 20 0 FCADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665292891 493707965 /nfs/dbraw/zinc/70/79/65/493707965.db2.gz LNDURYBJAFTRJR-GFCCVEGCSA-N 2 2 350.444 0.901 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000671845302 493708232 /nfs/dbraw/zinc/70/82/32/493708232.db2.gz MPJQVHPEGRDXCC-OAHLLOKOSA-N 2 2 363.462 0.226 20 0 FCADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000671845302 493708234 /nfs/dbraw/zinc/70/82/34/493708234.db2.gz MPJQVHPEGRDXCC-OAHLLOKOSA-N 2 2 363.462 0.226 20 0 FCADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000680339249 493714475 /nfs/dbraw/zinc/71/44/75/493714475.db2.gz PVHKGJLSNFRDQP-HXUWFJFHSA-N 2 2 374.529 0.986 20 0 FCADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671963438 493719133 /nfs/dbraw/zinc/71/91/33/493719133.db2.gz ZDOWVGKYJWOJQW-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671963438 493719134 /nfs/dbraw/zinc/71/91/34/493719134.db2.gz ZDOWVGKYJWOJQW-MRXNPFEDSA-N 2 2 354.495 0.158 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671963970 493719583 /nfs/dbraw/zinc/71/95/83/493719583.db2.gz OGESXULXIJPZPW-HNNXBMFYSA-N 2 2 359.474 0.291 20 0 FCADLP Cc1cccnc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671963970 493719584 /nfs/dbraw/zinc/71/95/84/493719584.db2.gz OGESXULXIJPZPW-HNNXBMFYSA-N 2 2 359.474 0.291 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC[NH+](C)CC1 ZINC000672008946 493724203 /nfs/dbraw/zinc/72/42/03/493724203.db2.gz DNNZEEKZUROIBJ-RHSMWYFYSA-N 2 2 360.458 0.908 20 0 FCADLP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000672012386 493724580 /nfs/dbraw/zinc/72/45/80/493724580.db2.gz RNEZTYXATFECEC-BFYDXBDKSA-N 2 2 366.506 0.012 20 0 FCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672030291 493726073 /nfs/dbraw/zinc/72/60/73/493726073.db2.gz XDHSTHFEQIDKAG-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672030291 493726075 /nfs/dbraw/zinc/72/60/75/493726075.db2.gz XDHSTHFEQIDKAG-BFYDXBDKSA-N 2 2 366.506 0.202 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672203897 493742004 /nfs/dbraw/zinc/74/20/04/493742004.db2.gz ZQXQKQFXWFTMBG-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672203897 493742007 /nfs/dbraw/zinc/74/20/07/493742007.db2.gz ZQXQKQFXWFTMBG-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CCNc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000672207441 493743246 /nfs/dbraw/zinc/74/32/46/493743246.db2.gz CDQVUOVIGQVHHN-KBPBESRZSA-N 2 2 363.510 0.971 20 0 FCADLP CN(C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216740 493751479 /nfs/dbraw/zinc/75/14/79/493751479.db2.gz JOOZLYFELLRRJE-HZPDHXFCSA-N 2 2 351.495 0.417 20 0 FCADLP CN(C(=O)N[C@@H]1CCCN(C)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216740 493751480 /nfs/dbraw/zinc/75/14/80/493751480.db2.gz JOOZLYFELLRRJE-HZPDHXFCSA-N 2 2 351.495 0.417 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000681217859 493752265 /nfs/dbraw/zinc/75/22/65/493752265.db2.gz IEIPSGYFGRRPHW-RDJZCZTQSA-N 2 2 365.522 0.806 20 0 FCADLP CC(C)N1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC000681217859 493752267 /nfs/dbraw/zinc/75/22/67/493752267.db2.gz IEIPSGYFGRRPHW-RDJZCZTQSA-N 2 2 365.522 0.806 20 0 FCADLP C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000672320036 493755989 /nfs/dbraw/zinc/75/59/89/493755989.db2.gz FDVDOYIZQYILDX-YESZJQIVSA-N 2 2 366.506 0.299 20 0 FCADLP CSC[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000410815099 533739421 /nfs/dbraw/zinc/73/94/21/533739421.db2.gz CDKCEPGBHIEVLV-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP CSC[C@@H]1CCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000410815099 533739427 /nfs/dbraw/zinc/73/94/27/533739427.db2.gz CDKCEPGBHIEVLV-INIZCTEOSA-N 2 2 370.563 0.825 20 0 FCADLP CC(C)(C(=O)NCC(=O)NCC[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000423363152 534320396 /nfs/dbraw/zinc/32/03/96/534320396.db2.gz NNZDNVBDLYFCIF-QGZVFWFLSA-N 2 2 362.474 0.277 20 0 FCADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238094978 534335069 /nfs/dbraw/zinc/33/50/69/534335069.db2.gz XMGCSQCVRMYWJL-ULQDDVLXSA-N 2 2 358.490 0.636 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168596615 534538655 /nfs/dbraw/zinc/53/86/55/534538655.db2.gz IOCZIDFVVKOJDX-CYBMUJFWSA-N 2 2 366.412 0.477 20 0 FCADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168596615 534538662 /nfs/dbraw/zinc/53/86/62/534538662.db2.gz IOCZIDFVVKOJDX-CYBMUJFWSA-N 2 2 366.412 0.477 20 0 FCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000410735707 527744898 /nfs/dbraw/zinc/74/48/98/527744898.db2.gz JXCPJBCCGBNJLN-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000410735707 527744902 /nfs/dbraw/zinc/74/49/02/527744902.db2.gz JXCPJBCCGBNJLN-JKSUJKDBSA-N 2 2 354.495 0.108 20 0 FCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000410892596 527825333 /nfs/dbraw/zinc/82/53/33/527825333.db2.gz WQOFBPQXQKPMRU-SJORKVTESA-N 2 2 368.522 0.356 20 0 FCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000410892596 527825335 /nfs/dbraw/zinc/82/53/35/527825335.db2.gz WQOFBPQXQKPMRU-SJORKVTESA-N 2 2 368.522 0.356 20 0 FCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410699110 527844198 /nfs/dbraw/zinc/84/41/98/527844198.db2.gz PDFKSNPIEUKKPL-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410699110 527844202 /nfs/dbraw/zinc/84/42/02/527844202.db2.gz PDFKSNPIEUKKPL-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410699110 527844207 /nfs/dbraw/zinc/84/42/07/527844207.db2.gz PDFKSNPIEUKKPL-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410699110 527844211 /nfs/dbraw/zinc/84/42/11/527844211.db2.gz PDFKSNPIEUKKPL-IXDOHACOSA-N 2 2 368.522 0.353 20 0 FCADLP CCO[C@@H]1C[C@@](CO)(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000189563128 527868159 /nfs/dbraw/zinc/86/81/59/527868159.db2.gz DHIWLOYSQLURKP-APWZRJJASA-N 2 2 370.538 0.878 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410983254 527957510 /nfs/dbraw/zinc/95/75/10/527957510.db2.gz PPWGDRBTPQLYCO-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410983254 527957515 /nfs/dbraw/zinc/95/75/15/527957515.db2.gz PPWGDRBTPQLYCO-IRXDYDNUSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000410737384 527957645 /nfs/dbraw/zinc/95/76/45/527957645.db2.gz SKUZVVGIYURFEY-DLBZAZTESA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000410737384 527957649 /nfs/dbraw/zinc/95/76/49/527957649.db2.gz SKUZVVGIYURFEY-DLBZAZTESA-N 2 2 368.522 0.354 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410983252 527957887 /nfs/dbraw/zinc/95/78/87/527957887.db2.gz PPWGDRBTPQLYCO-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410983252 527957892 /nfs/dbraw/zinc/95/78/92/527957892.db2.gz PPWGDRBTPQLYCO-IAGOWNOFSA-N 2 2 366.506 0.108 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000410712405 527960161 /nfs/dbraw/zinc/96/01/61/527960161.db2.gz OKCBQWXGDRJCEY-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000410712405 527960163 /nfs/dbraw/zinc/96/01/63/527960163.db2.gz OKCBQWXGDRJCEY-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000410712405 527960169 /nfs/dbraw/zinc/96/01/69/527960169.db2.gz OKCBQWXGDRJCEY-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000410712405 527960175 /nfs/dbraw/zinc/96/01/75/527960175.db2.gz OKCBQWXGDRJCEY-IRXDYDNUSA-N 2 2 367.538 0.023 20 0 FCADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410705793 527962714 /nfs/dbraw/zinc/96/27/14/527962714.db2.gz WLPRJNOLAHKVEE-XHSDSOJGSA-N 2 2 368.522 0.231 20 0 FCADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410705793 527962716 /nfs/dbraw/zinc/96/27/16/527962716.db2.gz WLPRJNOLAHKVEE-XHSDSOJGSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410705793 527962721 /nfs/dbraw/zinc/96/27/21/527962721.db2.gz WLPRJNOLAHKVEE-XHSDSOJGSA-N 2 2 368.522 0.231 20 0 FCADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410705793 527962725 /nfs/dbraw/zinc/96/27/25/527962725.db2.gz WLPRJNOLAHKVEE-XHSDSOJGSA-N 2 2 368.522 0.231 20 0 FCADLP CC(C)CN1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000187714379 527995770 /nfs/dbraw/zinc/99/57/70/527995770.db2.gz ZLLIBIHUTPHPBZ-UHFFFAOYSA-N 2 2 353.511 0.522 20 0 FCADLP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000410917357 528138979 /nfs/dbraw/zinc/13/89/79/528138979.db2.gz UZROOGCCKMLXDM-UHFFFAOYSA-N 2 2 354.495 0.110 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000410885804 528282070 /nfs/dbraw/zinc/28/20/70/528282070.db2.gz DZUSTXKWFDHCON-CVEARBPZSA-N 2 2 354.495 0.108 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000186861793 528526089 /nfs/dbraw/zinc/52/60/89/528526089.db2.gz HTHLMKCJCPKDSR-QGZVFWFLSA-N 2 2 356.511 0.755 20 0 FCADLP CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000186861793 528526096 /nfs/dbraw/zinc/52/60/96/528526096.db2.gz HTHLMKCJCPKDSR-QGZVFWFLSA-N 2 2 356.511 0.755 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898684 528809282 /nfs/dbraw/zinc/80/92/82/528809282.db2.gz IOTCKHOWFWGCLE-IRXDYDNUSA-N 2 2 369.506 0.687 20 0 FCADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC000413898684 528809285 /nfs/dbraw/zinc/80/92/85/528809285.db2.gz IOTCKHOWFWGCLE-IRXDYDNUSA-N 2 2 369.506 0.687 20 0 FCADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000410730704 529031870 /nfs/dbraw/zinc/03/18/70/529031870.db2.gz DAUXDADRBSYWHN-MRXNPFEDSA-N 2 2 361.490 0.754 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000410958246 529116527 /nfs/dbraw/zinc/11/65/27/529116527.db2.gz WECUYYORSUREIY-HNNXBMFYSA-N 2 2 362.478 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410955236 529118812 /nfs/dbraw/zinc/11/88/12/529118812.db2.gz PYVIAQIBMUGJCT-BEFAXECRSA-N 2 2 374.489 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000410955236 529118814 /nfs/dbraw/zinc/11/88/14/529118814.db2.gz PYVIAQIBMUGJCT-BEFAXECRSA-N 2 2 374.489 0.169 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410581454 529119846 /nfs/dbraw/zinc/11/98/46/529119846.db2.gz BDRRAFFYZGCADE-PMPSAXMXSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000410581454 529119851 /nfs/dbraw/zinc/11/98/51/529119851.db2.gz BDRRAFFYZGCADE-PMPSAXMXSA-N 2 2 374.489 0.310 20 0 FCADLP CCN1CC[NH+](CCCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413116166 529142600 /nfs/dbraw/zinc/14/26/00/529142600.db2.gz VTOOYPJVYQHMOG-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC[NH+]1CCN(CCCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413116166 529142602 /nfs/dbraw/zinc/14/26/02/529142602.db2.gz VTOOYPJVYQHMOG-UHFFFAOYSA-N 2 2 369.554 0.814 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000413863789 529276803 /nfs/dbraw/zinc/27/68/03/529276803.db2.gz IKPQKDLGAYWEHO-MSOLQXFVSA-N 2 2 371.522 0.681 20 0 FCADLP CC[C@@H](C(=O)N1CC[NH+](C(COC)COC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000413863789 529276804 /nfs/dbraw/zinc/27/68/04/529276804.db2.gz IKPQKDLGAYWEHO-MSOLQXFVSA-N 2 2 371.522 0.681 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000410923549 529350408 /nfs/dbraw/zinc/35/04/08/529350408.db2.gz WOZGENIVHXEOLT-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000410923549 529350410 /nfs/dbraw/zinc/35/04/10/529350410.db2.gz WOZGENIVHXEOLT-MRXNPFEDSA-N 2 2 368.522 0.498 20 0 FCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000419133314 535069137 /nfs/dbraw/zinc/06/91/37/535069137.db2.gz FPYDZKFVRSRJCQ-MRXNPFEDSA-N 2 2 357.458 0.842 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423669624 535185777 /nfs/dbraw/zinc/18/57/77/535185777.db2.gz YLXSUMNHSMJYOO-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000423669624 535185782 /nfs/dbraw/zinc/18/57/82/535185782.db2.gz YLXSUMNHSMJYOO-OWCLPIDISA-N 2 2 354.495 0.155 20 0 FCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)C1(C)C ZINC000423794052 535438245 /nfs/dbraw/zinc/43/82/45/535438245.db2.gz XKRFINQXIHJFNQ-PMUMKWKESA-N 2 2 355.479 0.615 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H]1c1[nH]cc[nH+]1 ZINC000425406527 535604293 /nfs/dbraw/zinc/60/42/93/535604293.db2.gz TUBYUTGXJPHKIS-XHSDSOJGSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H]1c1[nH]cc[nH+]1 ZINC000425406527 535604303 /nfs/dbraw/zinc/60/43/03/535604303.db2.gz TUBYUTGXJPHKIS-XHSDSOJGSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000425406525 535604518 /nfs/dbraw/zinc/60/45/18/535604518.db2.gz TUBYUTGXJPHKIS-ARFHVFGLSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000425406525 535604524 /nfs/dbraw/zinc/60/45/24/535604524.db2.gz TUBYUTGXJPHKIS-ARFHVFGLSA-N 2 2 374.489 0.168 20 0 FCADLP CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000423545996 535604563 /nfs/dbraw/zinc/60/45/63/535604563.db2.gz BJSCXBARQQEMAT-VGWMRTNUSA-N 2 2 374.489 0.201 20 0 FCADLP CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000419953742 535606170 /nfs/dbraw/zinc/60/61/70/535606170.db2.gz LHAKBKIYFQTMQH-UONOGXRCSA-N 2 2 350.467 0.105 20 0 FCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)CC1 ZINC000424300557 535636463 /nfs/dbraw/zinc/63/64/63/535636463.db2.gz WSISJAJWVLZFNG-HNNXBMFYSA-N 3 2 360.506 0.676 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000423729480 535732985 /nfs/dbraw/zinc/73/29/85/535732985.db2.gz XERGXDPRKLFYHE-IRXDYDNUSA-N 2 2 368.522 0.546 20 0 FCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000423729480 535732994 /nfs/dbraw/zinc/73/29/94/535732994.db2.gz XERGXDPRKLFYHE-IRXDYDNUSA-N 2 2 368.522 0.546 20 0 FCADLP C[NH+](C)Cc1cccc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000437920019 536038150 /nfs/dbraw/zinc/03/81/50/536038150.db2.gz FEYKMLICZLREBI-SFHVURJKSA-N 2 2 350.463 0.953 20 0 FCADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000423475482 536367420 /nfs/dbraw/zinc/36/74/20/536367420.db2.gz KMFJMDNUAXLEHI-DZGCQCFKSA-N 2 2 350.488 0.774 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CC1 ZINC000425502358 536403358 /nfs/dbraw/zinc/40/33/58/536403358.db2.gz BTIMGSJFVFQPHC-GASCZTMLSA-N 2 2 367.396 0.953 20 0 FCADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)CC1 ZINC000425502358 536403361 /nfs/dbraw/zinc/40/33/61/536403361.db2.gz BTIMGSJFVFQPHC-GASCZTMLSA-N 2 2 367.396 0.953 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000120602575 546514501 /nfs/dbraw/zinc/51/45/01/546514501.db2.gz MWPLPTDKYXRZAI-KRWDZBQOSA-N 2 2 356.511 0.443 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000120602575 546514505 /nfs/dbraw/zinc/51/45/05/546514505.db2.gz MWPLPTDKYXRZAI-KRWDZBQOSA-N 2 2 356.511 0.443 20 0 FCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000121758334 546517135 /nfs/dbraw/zinc/51/71/35/546517135.db2.gz CXEFCSKVJBKMPL-KRWDZBQOSA-N 2 2 356.511 0.587 20 0 FCADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000121758334 546517138 /nfs/dbraw/zinc/51/71/38/546517138.db2.gz CXEFCSKVJBKMPL-KRWDZBQOSA-N 2 2 356.511 0.587 20 0 FCADLP CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831199 546534327 /nfs/dbraw/zinc/53/43/27/546534327.db2.gz SNNATFNEWGPOFO-SJLPKXTDSA-N 2 2 350.507 0.872 20 0 FCADLP CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370831199 546534330 /nfs/dbraw/zinc/53/43/30/546534330.db2.gz SNNATFNEWGPOFO-SJLPKXTDSA-N 2 2 350.507 0.872 20 0 FCADLP COC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370830546 546535135 /nfs/dbraw/zinc/53/51/35/546535135.db2.gz NVVRLIKKFQNEAR-CVEARBPZSA-N 2 2 354.495 0.994 20 0 FCADLP COC(=O)N[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370830546 546535139 /nfs/dbraw/zinc/53/51/39/546535139.db2.gz NVVRLIKKFQNEAR-CVEARBPZSA-N 2 2 354.495 0.994 20 0 FCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592557794 546654402 /nfs/dbraw/zinc/65/44/02/546654402.db2.gz JBPPSKWKGOFQNP-SJORKVTESA-N 2 2 353.511 0.129 20 0 FCADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000332790096 546854914 /nfs/dbraw/zinc/85/49/14/546854914.db2.gz UJBMWPHKOVDDCF-HZPDHXFCSA-N 2 2 357.520 0.013 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136766 546872556 /nfs/dbraw/zinc/87/25/56/546872556.db2.gz AUJJSBTXRHKPRC-YJBOKZPZSA-N 2 2 366.531 0.792 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136766 546872557 /nfs/dbraw/zinc/87/25/57/546872557.db2.gz AUJJSBTXRHKPRC-YJBOKZPZSA-N 2 2 366.531 0.792 20 0 FCADLP CN(c1ncc(F)cn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000532619792 546885386 /nfs/dbraw/zinc/88/53/86/546885386.db2.gz HHCWDAPJMJWSFU-UHFFFAOYSA-N 2 2 350.442 0.290 20 0 FCADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)c1 ZINC000420159722 546909697 /nfs/dbraw/zinc/90/96/97/546909697.db2.gz ZJFPVRSFIVWYBN-UHFFFAOYSA-N 2 2 354.401 0.349 20 0 FCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[S@@](=O)C2)([NH+]2CCCCC2)CC1 ZINC000475114685 546937961 /nfs/dbraw/zinc/93/79/61/546937961.db2.gz WWZBKXHTCJXRME-OYLFLEFRSA-N 2 2 356.536 0.757 20 0 FCADLP COC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641788368 546957283 /nfs/dbraw/zinc/95/72/83/546957283.db2.gz ZFIDZDJABNZJGI-RTBURBONSA-N 2 2 355.523 0.814 20 0 FCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000549978227 547075881 /nfs/dbraw/zinc/07/58/81/547075881.db2.gz XMTDHIGUENPGCH-HNNXBMFYSA-N 2 2 354.495 0.156 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000550689199 547097354 /nfs/dbraw/zinc/09/73/54/547097354.db2.gz UUPICXHXPCNIRN-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000550689199 547097359 /nfs/dbraw/zinc/09/73/59/547097359.db2.gz UUPICXHXPCNIRN-CABCVRRESA-N 2 2 354.495 0.060 20 0 FCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000551074192 547124445 /nfs/dbraw/zinc/12/44/45/547124445.db2.gz GEXLVBIISIGQFI-OAGGEKHMSA-N 2 2 354.495 0.202 20 0 FCADLP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000553620211 547295896 /nfs/dbraw/zinc/29/58/96/547295896.db2.gz IEDFAFXERINOOV-LSDHHAIUSA-N 2 2 354.495 0.201 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000485407992 547350799 /nfs/dbraw/zinc/35/07/99/547350799.db2.gz KTYQTDMXXMEUQE-SJORKVTESA-N 2 2 356.511 0.443 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000485407992 547350807 /nfs/dbraw/zinc/35/08/07/547350807.db2.gz KTYQTDMXXMEUQE-SJORKVTESA-N 2 2 356.511 0.443 20 0 FCADLP CNC(=O)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736874378 599269055 /nfs/dbraw/zinc/26/90/55/599269055.db2.gz PLINYDCYNSCNQK-UHFFFAOYSA-N 2 2 366.429 0.459 20 0 FCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267944 598524162 /nfs/dbraw/zinc/52/41/62/598524162.db2.gz VEYSCJAUXPROLR-HZSPNIEDSA-N 2 2 359.482 0.815 20 0 FCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736267944 598524164 /nfs/dbraw/zinc/52/41/64/598524164.db2.gz VEYSCJAUXPROLR-HZSPNIEDSA-N 2 2 359.482 0.815 20 0 FCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736746781 598568043 /nfs/dbraw/zinc/56/80/43/598568043.db2.gz OFYZQSUNGBAGBE-UHFFFAOYSA-N 2 2 357.462 0.899 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826034679 607498974 /nfs/dbraw/zinc/49/89/74/607498974.db2.gz VSGMWPZYZHZVTN-MRXNPFEDSA-N 2 2 356.478 0.864 20 0 FCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826034679 607498976 /nfs/dbraw/zinc/49/89/76/607498976.db2.gz VSGMWPZYZHZVTN-MRXNPFEDSA-N 2 2 356.478 0.864 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000247056503 674519430 /nfs/dbraw/zinc/51/94/30/674519430.db2.gz SFYYSVWTRQUZHH-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000247056503 674519432 /nfs/dbraw/zinc/51/94/32/674519432.db2.gz SFYYSVWTRQUZHH-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000247056503 674519434 /nfs/dbraw/zinc/51/94/34/674519434.db2.gz SFYYSVWTRQUZHH-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000247056503 674519437 /nfs/dbraw/zinc/51/94/37/674519437.db2.gz SFYYSVWTRQUZHH-CVEARBPZSA-N 2 2 354.495 0.949 20 0 FCADLP CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000956582612 674526984 /nfs/dbraw/zinc/52/69/84/674526984.db2.gz CJMRISMHWWQVSK-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000956582612 674526987 /nfs/dbraw/zinc/52/69/87/674526987.db2.gz CJMRISMHWWQVSK-BRWVUGGUSA-N 2 2 350.507 0.728 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821621949 606560412 /nfs/dbraw/zinc/56/04/12/606560412.db2.gz MKDNQUUAVFIVCG-UHFFFAOYSA-N 2 2 371.489 0.894 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821621949 606560413 /nfs/dbraw/zinc/56/04/13/606560413.db2.gz MKDNQUUAVFIVCG-UHFFFAOYSA-N 2 2 371.489 0.894 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820111662 606655506 /nfs/dbraw/zinc/65/55/06/606655506.db2.gz FYIBSPRERVQRRH-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820111662 606655507 /nfs/dbraw/zinc/65/55/07/606655507.db2.gz FYIBSPRERVQRRH-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820758932 606848885 /nfs/dbraw/zinc/84/88/85/606848885.db2.gz GAIFYRNHRHWFHS-VBQJREDUSA-N 2 2 360.462 0.989 20 0 FCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C[C@H](C)O1 ZINC000820758932 606848886 /nfs/dbraw/zinc/84/88/86/606848886.db2.gz GAIFYRNHRHWFHS-VBQJREDUSA-N 2 2 360.462 0.989 20 0 FCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625672 607073193 /nfs/dbraw/zinc/07/31/93/607073193.db2.gz UATMLHNZZOQKCG-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625672 607073194 /nfs/dbraw/zinc/07/31/94/607073194.db2.gz UATMLHNZZOQKCG-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625672 607073195 /nfs/dbraw/zinc/07/31/95/607073195.db2.gz UATMLHNZZOQKCG-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625672 607073196 /nfs/dbraw/zinc/07/31/96/607073196.db2.gz UATMLHNZZOQKCG-SJORKVTESA-N 2 2 369.473 0.899 20 0 FCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821601413 607236657 /nfs/dbraw/zinc/23/66/57/607236657.db2.gz FXTXUPGVCSKCFT-OAHLLOKOSA-N 2 2 357.418 0.825 20 0 FCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821601413 607236658 /nfs/dbraw/zinc/23/66/58/607236658.db2.gz FXTXUPGVCSKCFT-OAHLLOKOSA-N 2 2 357.418 0.825 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824992340 608170660 /nfs/dbraw/zinc/17/06/60/608170660.db2.gz MFFKHTGZBCTWQM-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824992340 608170661 /nfs/dbraw/zinc/17/06/61/608170661.db2.gz MFFKHTGZBCTWQM-YOEHRIQHSA-N 2 2 356.478 0.720 20 0 FCADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001020421648 663148891 /nfs/dbraw/zinc/14/88/91/663148891.db2.gz XSTQHNARAXCTPK-TVFCKZIOSA-N 2 2 351.491 0.903 20 0 FCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000891411682 663385592 /nfs/dbraw/zinc/38/55/92/663385592.db2.gz ORAKRCNMWJTXJM-USXIJHARSA-N 2 2 354.520 0.445 20 0 FCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891411258 663385616 /nfs/dbraw/zinc/38/56/16/663385616.db2.gz FEBCQXNJXFKKAS-DJIMGWMZSA-N 2 2 354.520 0.778 20 0 FCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)C2 ZINC000891411681 663385667 /nfs/dbraw/zinc/38/56/67/663385667.db2.gz ORAKRCNMWJTXJM-UAGQMJEPSA-N 2 2 354.520 0.445 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891505977 663410416 /nfs/dbraw/zinc/41/04/16/663410416.db2.gz CPLYXKPVKWXKKB-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891505977 663410419 /nfs/dbraw/zinc/41/04/19/663410419.db2.gz CPLYXKPVKWXKKB-OAHLLOKOSA-N 2 2 354.495 0.555 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892384578 663797820 /nfs/dbraw/zinc/79/78/20/663797820.db2.gz NSURIFOWUOHVMH-INIZCTEOSA-N 2 2 356.511 0.755 20 0 FCADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000892758019 664137524 /nfs/dbraw/zinc/13/75/24/664137524.db2.gz XLMZPASWUPOTRG-HZPDHXFCSA-N 2 2 352.479 0.261 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000892758262 664137901 /nfs/dbraw/zinc/13/79/01/664137901.db2.gz OMVKKYJXDLFXKZ-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000892758262 664137902 /nfs/dbraw/zinc/13/79/02/664137902.db2.gz OMVKKYJXDLFXKZ-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000892758262 664137906 /nfs/dbraw/zinc/13/79/06/664137906.db2.gz OMVKKYJXDLFXKZ-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP CC1(C)COCC[NH+]1CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000892758262 664137907 /nfs/dbraw/zinc/13/79/07/664137907.db2.gz OMVKKYJXDLFXKZ-HZPDHXFCSA-N 2 2 354.495 0.338 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766775 664140091 /nfs/dbraw/zinc/14/00/91/664140091.db2.gz OFDXYGMQTHJBSG-HOTGVXAUSA-N 2 2 354.495 0.507 20 0 FCADLP CCc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916256 664277354 /nfs/dbraw/zinc/27/73/54/664277354.db2.gz FZLNJPDYZYPKBX-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP CCc1nc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)no1 ZINC001026916256 664277358 /nfs/dbraw/zinc/27/73/58/664277358.db2.gz FZLNJPDYZYPKBX-MGPQQGTHSA-N 2 2 351.451 0.289 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001028627495 664930449 /nfs/dbraw/zinc/93/04/49/664930449.db2.gz DICVNLWFMWOXGN-VNHYZAJKSA-N 2 2 368.503 0.809 20 0 FCADLP COc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)sn1 ZINC001028627495 664930451 /nfs/dbraw/zinc/93/04/51/664930451.db2.gz DICVNLWFMWOXGN-VNHYZAJKSA-N 2 2 368.503 0.809 20 0 FCADLP COc1nscc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629089 664930696 /nfs/dbraw/zinc/93/06/96/664930696.db2.gz GIHJLXGDJKEEGB-UMVBOHGHSA-N 2 2 368.503 0.809 20 0 FCADLP COc1nscc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629089 664930697 /nfs/dbraw/zinc/93/06/97/664930697.db2.gz GIHJLXGDJKEEGB-UMVBOHGHSA-N 2 2 368.503 0.809 20 0 FCADLP COc1nscc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629089 664930698 /nfs/dbraw/zinc/93/06/98/664930698.db2.gz GIHJLXGDJKEEGB-UMVBOHGHSA-N 2 2 368.503 0.809 20 0 FCADLP COc1nscc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629089 664930700 /nfs/dbraw/zinc/93/07/00/664930700.db2.gz GIHJLXGDJKEEGB-UMVBOHGHSA-N 2 2 368.503 0.809 20 0 FCADLP COc1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001028629621 664930971 /nfs/dbraw/zinc/93/09/71/664930971.db2.gz OVVFPXREKBTUCC-UMVBOHGHSA-N 2 2 352.435 0.340 20 0 FCADLP COc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)on1 ZINC001028629621 664930972 /nfs/dbraw/zinc/93/09/72/664930972.db2.gz OVVFPXREKBTUCC-UMVBOHGHSA-N 2 2 352.435 0.340 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)on1 ZINC001028629621 664930973 /nfs/dbraw/zinc/93/09/73/664930973.db2.gz OVVFPXREKBTUCC-UMVBOHGHSA-N 2 2 352.435 0.340 20 0 FCADLP COc1cc(C[NH+]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)on1 ZINC001028629621 664930975 /nfs/dbraw/zinc/93/09/75/664930975.db2.gz OVVFPXREKBTUCC-UMVBOHGHSA-N 2 2 352.435 0.340 20 0 FCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685981 665055105 /nfs/dbraw/zinc/05/51/05/665055105.db2.gz PDDPISWGIYSSDM-FGTMMUONSA-N 2 2 352.523 0.820 20 0 FCADLP COC(=O)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000895688778 665055219 /nfs/dbraw/zinc/05/52/19/665055219.db2.gz ZDADLNJSWKTYLT-INIZCTEOSA-N 2 2 350.463 0.688 20 0 FCADLP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000895685285 665056028 /nfs/dbraw/zinc/05/60/28/665056028.db2.gz LDYDDXNVBUYMSS-FGTMMUONSA-N 2 2 373.563 0.728 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767603 665171270 /nfs/dbraw/zinc/17/12/70/665171270.db2.gz VSEFXUMLZVEXBS-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nnc(C[NH+](C)C[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)o1 ZINC001029767603 665171271 /nfs/dbraw/zinc/17/12/71/665171271.db2.gz VSEFXUMLZVEXBS-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767603 665171273 /nfs/dbraw/zinc/17/12/73/665171273.db2.gz VSEFXUMLZVEXBS-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP Cc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)o1 ZINC001029767603 665171275 /nfs/dbraw/zinc/17/12/75/665171275.db2.gz VSEFXUMLZVEXBS-BPLDGKMQSA-N 2 2 351.451 0.377 20 0 FCADLP C[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000054518745 665342929 /nfs/dbraw/zinc/34/29/29/665342929.db2.gz TUXXPENQZVPLQP-GOSISDBHSA-N 2 2 350.463 0.709 20 0 FCADLP CS[C@H]1CN(C(=O)c2cccn2CC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000907147218 666104099 /nfs/dbraw/zinc/10/40/99/666104099.db2.gz SFHYVIPQDRDRST-SJORKVTESA-N 2 2 366.531 0.938 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000907515696 666140693 /nfs/dbraw/zinc/14/06/93/666140693.db2.gz CLYOGPYLQXLHAR-MSOLQXFVSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000907515696 666140694 /nfs/dbraw/zinc/14/06/94/666140694.db2.gz CLYOGPYLQXLHAR-MSOLQXFVSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000907602881 666146754 /nfs/dbraw/zinc/14/67/54/666146754.db2.gz FZEHJVGIWBZAFN-QGZVFWFLSA-N 2 2 354.539 0.706 20 0 FCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000907602881 666146755 /nfs/dbraw/zinc/14/67/55/666146755.db2.gz FZEHJVGIWBZAFN-QGZVFWFLSA-N 2 2 354.539 0.706 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCS(N)(=O)=O)CC2)CC1 ZINC000911191087 666320920 /nfs/dbraw/zinc/32/09/20/666320920.db2.gz YJDRWWJZUTZOTG-UHFFFAOYSA-N 2 2 360.524 0.074 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCS(N)(=O)=O)CC2)CC1 ZINC000911191087 666320923 /nfs/dbraw/zinc/32/09/23/666320923.db2.gz YJDRWWJZUTZOTG-UHFFFAOYSA-N 2 2 360.524 0.074 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911730413 666372648 /nfs/dbraw/zinc/37/26/48/666372648.db2.gz NVRKOBOZDOVUJT-BZUAXINKSA-N 2 2 354.495 0.189 20 0 FCADLP CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911730413 666372653 /nfs/dbraw/zinc/37/26/53/666372653.db2.gz NVRKOBOZDOVUJT-BZUAXINKSA-N 2 2 354.495 0.189 20 0 FCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418012 666795547 /nfs/dbraw/zinc/79/55/47/666795547.db2.gz HOZKTRVSVWPAIC-KBPBESRZSA-N 2 2 355.483 0.541 20 0 FCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418012 666795548 /nfs/dbraw/zinc/79/55/48/666795548.db2.gz HOZKTRVSVWPAIC-KBPBESRZSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418012 666795549 /nfs/dbraw/zinc/79/55/49/666795549.db2.gz HOZKTRVSVWPAIC-KBPBESRZSA-N 2 2 355.483 0.541 20 0 FCADLP C[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000925418012 666795550 /nfs/dbraw/zinc/79/55/50/666795550.db2.gz HOZKTRVSVWPAIC-KBPBESRZSA-N 2 2 355.483 0.541 20 0 FCADLP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731757604 666837958 /nfs/dbraw/zinc/83/79/58/666837958.db2.gz GLYXZSSFTICXHS-CQSZACIVSA-N 2 2 360.524 0.136 20 0 FCADLP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731757604 666837963 /nfs/dbraw/zinc/83/79/63/666837963.db2.gz GLYXZSSFTICXHS-CQSZACIVSA-N 2 2 360.524 0.136 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)O1 ZINC000995956999 666897145 /nfs/dbraw/zinc/89/71/45/666897145.db2.gz JCCMKKUQIVBOLK-JHJVBQTASA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)O1 ZINC000995956999 666897146 /nfs/dbraw/zinc/89/71/46/666897146.db2.gz JCCMKKUQIVBOLK-JHJVBQTASA-N 2 2 353.492 0.584 20 0 FCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665691 666977806 /nfs/dbraw/zinc/97/78/06/666977806.db2.gz PSRLXBLJOYRPMG-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCO1 ZINC000734665691 666977808 /nfs/dbraw/zinc/97/78/08/666977808.db2.gz PSRLXBLJOYRPMG-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCO1 ZINC000734665691 666977811 /nfs/dbraw/zinc/97/78/11/666977811.db2.gz PSRLXBLJOYRPMG-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP C[C@@H]1C[NH+](CCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCO1 ZINC000734665691 666977812 /nfs/dbraw/zinc/97/78/12/666977812.db2.gz PSRLXBLJOYRPMG-IAGOWNOFSA-N 2 2 353.511 0.129 20 0 FCADLP S=C(NCCC[NH+]1CCOCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000917577521 667078281 /nfs/dbraw/zinc/07/82/81/667078281.db2.gz NUMIAEFIEADMCH-UHFFFAOYSA-N 2 2 370.563 0.627 20 0 FCADLP CCOC(=O)[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905989 667140586 /nfs/dbraw/zinc/14/05/86/667140586.db2.gz KLHGZDIMZNLDDJ-LSDHHAIUSA-N 2 2 352.479 0.750 20 0 FCADLP CCOC(=O)[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000918905989 667140590 /nfs/dbraw/zinc/14/05/90/667140590.db2.gz KLHGZDIMZNLDDJ-LSDHHAIUSA-N 2 2 352.479 0.750 20 0 FCADLP C[NH+](C)CCNC(=S)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000920832209 667257447 /nfs/dbraw/zinc/25/74/47/667257447.db2.gz GGDRNWSEJMGFNU-UHFFFAOYSA-N 2 2 366.531 0.923 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000752739057 667527006 /nfs/dbraw/zinc/52/70/06/667527006.db2.gz AKASTFXAAKVETE-UHFFFAOYSA-N 2 2 350.463 0.657 20 0 FCADLP Cn1c(CCC(N)=O)nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755778480 667648253 /nfs/dbraw/zinc/64/82/53/667648253.db2.gz GMCBYIZUMDMYAE-CQSZACIVSA-N 2 2 366.535 0.990 20 0 FCADLP Cn1c(CCC(N)=O)nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755778480 667648256 /nfs/dbraw/zinc/64/82/56/667648256.db2.gz GMCBYIZUMDMYAE-CQSZACIVSA-N 2 2 366.535 0.990 20 0 FCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001033292242 667726946 /nfs/dbraw/zinc/72/69/46/667726946.db2.gz RUCIEJJTCOIQGM-ZACQAIPSSA-N 2 2 355.479 0.045 20 0 FCADLP CCOC[C@H]1C(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)N1C ZINC000761181429 667880809 /nfs/dbraw/zinc/88/08/09/667880809.db2.gz AIHVODCFARRXJZ-INIZCTEOSA-N 2 2 352.479 0.844 20 0 FCADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000738209033 667908266 /nfs/dbraw/zinc/90/82/66/667908266.db2.gz MQWUHLPDXATUBU-KRWDZBQOSA-N 2 2 355.504 0.869 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000764400525 667981790 /nfs/dbraw/zinc/98/17/90/667981790.db2.gz BYCUCAYYEZYSJH-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000764400525 667981792 /nfs/dbraw/zinc/98/17/92/667981792.db2.gz BYCUCAYYEZYSJH-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000764400525 667981794 /nfs/dbraw/zinc/98/17/94/667981794.db2.gz BYCUCAYYEZYSJH-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000764400525 667981796 /nfs/dbraw/zinc/98/17/96/667981796.db2.gz BYCUCAYYEZYSJH-YYIAUSFCSA-N 2 2 350.507 0.728 20 0 FCADLP O=S(=O)(CC[NH2+]C[C@@H]1CCC=CO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000774978831 668189378 /nfs/dbraw/zinc/18/93/78/668189378.db2.gz NVHFDXKZAIRHFF-INIZCTEOSA-N 2 2 366.487 0.816 20 0 FCADLP COC(=O)N1CC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000771771791 668271865 /nfs/dbraw/zinc/27/18/65/668271865.db2.gz JWCXQUUYWVRXNP-HNNXBMFYSA-N 2 2 353.467 0.247 20 0 FCADLP COC(=O)N1CC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000771771791 668271869 /nfs/dbraw/zinc/27/18/69/668271869.db2.gz JWCXQUUYWVRXNP-HNNXBMFYSA-N 2 2 353.467 0.247 20 0 FCADLP COCCOC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790364513 668875374 /nfs/dbraw/zinc/87/53/74/668875374.db2.gz YYIASAGNJNQVJE-SFHVURJKSA-N 2 2 353.463 0.988 20 0 FCADLP COC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000796497468 669105012 /nfs/dbraw/zinc/10/50/12/669105012.db2.gz KRDHTNLJFSANFC-MQVJKMGUSA-N 2 2 352.479 0.890 20 0 FCADLP COC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000796497468 669105018 /nfs/dbraw/zinc/10/50/18/669105018.db2.gz KRDHTNLJFSANFC-MQVJKMGUSA-N 2 2 352.479 0.890 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448705 669173926 /nfs/dbraw/zinc/17/39/26/669173926.db2.gz UWGDSUUCMGTTGL-OAHLLOKOSA-N 2 2 374.551 0.621 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)C1CC1 ZINC000840448705 669173928 /nfs/dbraw/zinc/17/39/28/669173928.db2.gz UWGDSUUCMGTTGL-OAHLLOKOSA-N 2 2 374.551 0.621 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000829116636 669684508 /nfs/dbraw/zinc/68/45/08/669684508.db2.gz TVPFQFYPZUWMCS-MRXNPFEDSA-N 2 2 359.536 0.909 20 0 FCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000829117155 669685156 /nfs/dbraw/zinc/68/51/56/669685156.db2.gz YEUDKWLRTFYMAO-INIZCTEOSA-N 2 2 353.488 0.620 20 0 FCADLP CC(C)(C)OC(=O)NC1(CO)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000829259046 669692756 /nfs/dbraw/zinc/69/27/56/669692756.db2.gz OTGRWOKQXNTWBG-HNNXBMFYSA-N 2 2 357.495 0.795 20 0 FCADLP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000814647643 669890484 /nfs/dbraw/zinc/89/04/84/669890484.db2.gz AHQYKYYLKYSKMS-AWEZNQCLSA-N 2 2 357.476 0.101 20 0 FCADLP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000814647643 669890489 /nfs/dbraw/zinc/89/04/89/669890489.db2.gz AHQYKYYLKYSKMS-AWEZNQCLSA-N 2 2 357.476 0.101 20 0 FCADLP CC(C)(C)OC(=O)NCC1(O)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000842169522 670643976 /nfs/dbraw/zinc/64/39/76/670643976.db2.gz KNLYSNUQBIAXQU-HNNXBMFYSA-N 2 2 357.495 0.795 20 0 FCADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)CC1 ZINC000843244420 670782186 /nfs/dbraw/zinc/78/21/86/670782186.db2.gz PJWJSMNKTZLYKQ-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[N@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)CC1 ZINC000843244420 670782190 /nfs/dbraw/zinc/78/21/90/670782190.db2.gz PJWJSMNKTZLYKQ-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000843244420 670782196 /nfs/dbraw/zinc/78/21/96/670782196.db2.gz PJWJSMNKTZLYKQ-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC[NH+]1CCCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000843244420 670782199 /nfs/dbraw/zinc/78/21/99/670782199.db2.gz PJWJSMNKTZLYKQ-IYBDPMFKSA-N 2 2 354.495 0.108 20 0 FCADLP CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)C2=O ZINC000843356483 670805990 /nfs/dbraw/zinc/80/59/90/670805990.db2.gz WCUQZRQCKHOXTG-PCHQZIJMSA-N 2 2 351.451 0.235 20 0 FCADLP O=S(=O)(Cc1ccccc1)NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848524739 671283773 /nfs/dbraw/zinc/28/37/73/671283773.db2.gz WNNUBWFSWBJHOG-SFHVURJKSA-N 2 2 367.515 0.949 20 0 FCADLP Cc1nnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]3C2)s1 ZINC001048889969 675906113 /nfs/dbraw/zinc/90/61/13/675906113.db2.gz CVQDHCPLRHTHPF-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP Cc1nnc(C[NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]3C2)s1 ZINC001048889969 675906114 /nfs/dbraw/zinc/90/61/14/675906114.db2.gz CVQDHCPLRHTHPF-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)s1 ZINC001048889969 675906115 /nfs/dbraw/zinc/90/61/15/675906115.db2.gz CVQDHCPLRHTHPF-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]3C2)s1 ZINC001048889969 675906117 /nfs/dbraw/zinc/90/61/17/675906117.db2.gz CVQDHCPLRHTHPF-REBRKWNGSA-N 2 2 365.503 0.456 20 0 FCADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851887303 671476755 /nfs/dbraw/zinc/47/67/55/671476755.db2.gz ODQSZTZOVNCFKW-UHFFFAOYSA-N 2 2 374.283 0.200 20 0 FCADLP O=C1OCCN1[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852435859 671507301 /nfs/dbraw/zinc/50/73/01/671507301.db2.gz CGIAIGQNLFTWOT-HUUCEWRRSA-N 2 2 352.435 0.430 20 0 FCADLP O=C1OCCN1[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852435859 671507302 /nfs/dbraw/zinc/50/73/02/671507302.db2.gz CGIAIGQNLFTWOT-HUUCEWRRSA-N 2 2 352.435 0.430 20 0 FCADLP CN1C(=S)N=NC1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000853743952 671556281 /nfs/dbraw/zinc/55/62/81/671556281.db2.gz YXWDGCSUOMYAOH-LBPRGKRZSA-N 2 2 367.523 0.114 20 0 FCADLP CN1C(=S)N=NC1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000853743952 671556285 /nfs/dbraw/zinc/55/62/85/671556285.db2.gz YXWDGCSUOMYAOH-LBPRGKRZSA-N 2 2 367.523 0.114 20 0 FCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903736239 675965274 /nfs/dbraw/zinc/96/52/74/675965274.db2.gz ITCJNRRIBSRVJW-KRWDZBQOSA-N 3 2 352.523 0.631 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000864789396 672211067 /nfs/dbraw/zinc/21/10/67/672211067.db2.gz QKAXJUUBDPLOBJ-DZGCQCFKSA-N 2 2 350.467 0.561 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000864789396 672211068 /nfs/dbraw/zinc/21/10/68/672211068.db2.gz QKAXJUUBDPLOBJ-DZGCQCFKSA-N 2 2 350.467 0.561 20 0 FCADLP COc1c(C)c[nH+]c(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)c1C ZINC000866678196 672287162 /nfs/dbraw/zinc/28/71/62/672287162.db2.gz JCGNYHTVLNWMQP-UHFFFAOYSA-N 2 2 370.519 0.764 20 0 FCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000868285355 672392220 /nfs/dbraw/zinc/39/22/20/672392220.db2.gz IAFVUQOZTJSEAC-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000868285355 672392221 /nfs/dbraw/zinc/39/22/21/672392221.db2.gz IAFVUQOZTJSEAC-MRXNPFEDSA-N 2 2 353.511 0.129 20 0 FCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870909467 672519223 /nfs/dbraw/zinc/51/92/23/672519223.db2.gz DYJKUTFTHJFHMY-AWEZNQCLSA-N 2 2 368.503 0.375 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000875014728 672818050 /nfs/dbraw/zinc/81/80/50/672818050.db2.gz LCULVPQLZKMXQE-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000875014728 672818056 /nfs/dbraw/zinc/81/80/56/672818056.db2.gz LCULVPQLZKMXQE-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000875014728 672818063 /nfs/dbraw/zinc/81/80/63/672818063.db2.gz LCULVPQLZKMXQE-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000875014728 672818069 /nfs/dbraw/zinc/81/80/69/672818069.db2.gz LCULVPQLZKMXQE-IRXDYDNUSA-N 2 2 356.511 0.753 20 0 FCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000875429360 672881632 /nfs/dbraw/zinc/88/16/32/672881632.db2.gz JZRHQIUIIPGSMA-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000875429360 672881637 /nfs/dbraw/zinc/88/16/37/672881637.db2.gz JZRHQIUIIPGSMA-INIZCTEOSA-N 2 2 355.527 0.422 20 0 FCADLP Cc1nnsc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001534779 676075770 /nfs/dbraw/zinc/07/57/70/676075770.db2.gz ZUFQSCQMURTFAN-IUODEOHRSA-N 2 2 367.519 0.894 20 0 FCADLP Cc1nnsc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001534779 676075772 /nfs/dbraw/zinc/07/57/72/676075772.db2.gz ZUFQSCQMURTFAN-IUODEOHRSA-N 2 2 367.519 0.894 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C)no3)C2)CC[N@@H+]1C ZINC001051623121 676106773 /nfs/dbraw/zinc/10/67/73/676106773.db2.gz CNENKQGJZLWCSF-QLFBSQMISA-N 2 2 351.451 0.425 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C)no3)C2)CC[N@H+]1C ZINC001051623121 676106776 /nfs/dbraw/zinc/10/67/76/676106776.db2.gz CNENKQGJZLWCSF-QLFBSQMISA-N 2 2 351.451 0.425 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051833907 676111747 /nfs/dbraw/zinc/11/17/47/676111747.db2.gz AITBPYVHGUVONP-MRVWCRGKSA-N 2 2 362.459 0.392 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490576 676124521 /nfs/dbraw/zinc/12/45/21/676124521.db2.gz VLOZKZHENLSCDN-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1noc(C[NH+]2CCC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490576 676124524 /nfs/dbraw/zinc/12/45/24/676124524.db2.gz VLOZKZHENLSCDN-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1noc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490576 676124526 /nfs/dbraw/zinc/12/45/26/676124526.db2.gz VLOZKZHENLSCDN-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP Cc1noc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)n1 ZINC001052490576 676124531 /nfs/dbraw/zinc/12/45/31/676124531.db2.gz VLOZKZHENLSCDN-VHDGCEQUSA-N 2 2 351.451 0.568 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@@H]2CC[N@@H+]2CC)([NH+]2CCOCC2)C1 ZINC000883606831 673385333 /nfs/dbraw/zinc/38/53/33/673385333.db2.gz CEODFKNMLSPAJR-HJOIGYKYSA-N 2 2 354.495 0.650 20 0 FCADLP CCOC1CC(CNC(=O)NC[C@@H]2CC[N@H+]2CC)([NH+]2CCOCC2)C1 ZINC000883606831 673385335 /nfs/dbraw/zinc/38/53/35/673385335.db2.gz CEODFKNMLSPAJR-HJOIGYKYSA-N 2 2 354.495 0.650 20 0 FCADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000884201145 673436717 /nfs/dbraw/zinc/43/67/17/673436717.db2.gz RDQKBCFLBOBYDS-BPUTZDHNSA-N 2 2 353.488 0.700 20 0 FCADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000884201145 673436720 /nfs/dbraw/zinc/43/67/20/673436720.db2.gz RDQKBCFLBOBYDS-BPUTZDHNSA-N 2 2 353.488 0.700 20 0 FCADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884287395 673444381 /nfs/dbraw/zinc/44/43/81/673444381.db2.gz AJCNZQLPFPAGHZ-HNNXBMFYSA-N 2 2 359.467 0.478 20 0 FCADLP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000884312573 673445959 /nfs/dbraw/zinc/44/59/59/673445959.db2.gz JHHCOOZWBGQXMP-UONOGXRCSA-N 2 2 361.895 0.821 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884314345 673446155 /nfs/dbraw/zinc/44/61/55/673446155.db2.gz HCYUDVHIRJREAF-CWRNSKLLSA-N 2 2 353.488 0.385 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000884314345 673446156 /nfs/dbraw/zinc/44/61/56/673446156.db2.gz HCYUDVHIRJREAF-CWRNSKLLSA-N 2 2 353.488 0.385 20 0 FCADLP C[NH2+]CCOc1cccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000884427317 673452684 /nfs/dbraw/zinc/45/26/84/673452684.db2.gz RGZHBHXHNMCYRA-INIZCTEOSA-N 2 2 351.447 0.050 20 0 FCADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000884673145 673471170 /nfs/dbraw/zinc/47/11/70/673471170.db2.gz OYULDXDUNQTAKQ-MRXNPFEDSA-N 2 2 350.438 0.886 20 0 FCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000884913133 673490880 /nfs/dbraw/zinc/49/08/80/673490880.db2.gz MYEAEKADAJZXRJ-LDKKBFSKSA-N 2 2 354.495 0.188 20 0 FCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000884913133 673490883 /nfs/dbraw/zinc/49/08/83/673490883.db2.gz MYEAEKADAJZXRJ-LDKKBFSKSA-N 2 2 354.495 0.188 20 0 FCADLP COC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000886904086 673609765 /nfs/dbraw/zinc/60/97/65/673609765.db2.gz OGNNHBJTNDISFG-CVEARBPZSA-N 2 2 357.495 0.245 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(Br)CC1 ZINC000925447641 673792465 /nfs/dbraw/zinc/79/24/65/673792465.db2.gz ZYWVMRAJYQFNAY-CHWSQXEVSA-N 2 2 360.296 0.825 20 0 FCADLP O=S(=O)(Cc1ccccc1)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925569035 673793948 /nfs/dbraw/zinc/79/39/48/673793948.db2.gz NWDZFPHUBJEMDD-QGZVFWFLSA-N 2 2 353.488 0.559 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000925609389 673797212 /nfs/dbraw/zinc/79/72/12/673797212.db2.gz AXVFNIJYWHWMCD-TWMKSMIVSA-N 2 2 354.495 0.384 20 0 FCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000925609389 673797213 /nfs/dbraw/zinc/79/72/13/673797213.db2.gz AXVFNIJYWHWMCD-TWMKSMIVSA-N 2 2 354.495 0.384 20 0 FCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000926718660 673840249 /nfs/dbraw/zinc/84/02/49/673840249.db2.gz LNDVPWLQFFCVRO-WMLDXEAASA-N 2 2 359.536 0.889 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001008027443 675305684 /nfs/dbraw/zinc/30/56/84/675305684.db2.gz UBIMWGPFQGONDT-ZACQAIPSSA-N 2 2 357.470 0.806 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCCF)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001008027443 675305688 /nfs/dbraw/zinc/30/56/88/675305688.db2.gz UBIMWGPFQGONDT-ZACQAIPSSA-N 2 2 357.470 0.806 20 0 FCADLP COCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001020287565 675439652 /nfs/dbraw/zinc/43/96/52/675439652.db2.gz ATJHAHXRWUZWRL-RGCMKSIDSA-N 2 2 368.503 0.745 20 0 FCADLP COCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cs1 ZINC001020287565 675439655 /nfs/dbraw/zinc/43/96/55/675439655.db2.gz ATJHAHXRWUZWRL-RGCMKSIDSA-N 2 2 368.503 0.745 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001038398897 675444019 /nfs/dbraw/zinc/44/40/19/675444019.db2.gz JCHZYRMVJIIZEH-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[NH+]2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001038398897 675444024 /nfs/dbraw/zinc/44/40/24/675444024.db2.gz JCHZYRMVJIIZEH-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@H+]2CC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001038398897 675444028 /nfs/dbraw/zinc/44/40/28/675444028.db2.gz JCHZYRMVJIIZEH-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP Cc1noc(CCC[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)n1 ZINC001038398897 675444030 /nfs/dbraw/zinc/44/40/30/675444030.db2.gz JCHZYRMVJIIZEH-BPLDGKMQSA-N 2 2 351.451 0.220 20 0 FCADLP 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CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C)CC[N@H+]1C ZINC001020413813 1167806554 /nfs/dbraw/zinc/80/65/54/1167806554.db2.gz RZNYDAUVOKGAPZ-QSPRXWTASA-N 2 2 361.490 0.799 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000969235328 1167831466 /nfs/dbraw/zinc/83/14/66/1167831466.db2.gz AQKUQBFPDJQEDX-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000969235328 1167831470 /nfs/dbraw/zinc/83/14/70/1167831470.db2.gz AQKUQBFPDJQEDX-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000969235328 1167831471 /nfs/dbraw/zinc/83/14/71/1167831471.db2.gz AQKUQBFPDJQEDX-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000969235328 1167831474 /nfs/dbraw/zinc/83/14/74/1167831474.db2.gz AQKUQBFPDJQEDX-MXASKKJJSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000988536923 1192266632 /nfs/dbraw/zinc/26/66/32/1192266632.db2.gz OLYHEDHRLNPGLA-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)C1 ZINC000988536923 1192266640 /nfs/dbraw/zinc/26/66/40/1192266640.db2.gz OLYHEDHRLNPGLA-ZACQAIPSSA-N 2 2 361.490 0.967 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969299483 1167864519 /nfs/dbraw/zinc/86/45/19/1167864519.db2.gz KMXVHVCODWWLPY-IBEHDNSVSA-N 2 2 357.458 0.667 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969299483 1167864523 /nfs/dbraw/zinc/86/45/23/1167864523.db2.gz KMXVHVCODWWLPY-IBEHDNSVSA-N 2 2 357.458 0.667 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969299483 1167864525 /nfs/dbraw/zinc/86/45/25/1167864525.db2.gz KMXVHVCODWWLPY-IBEHDNSVSA-N 2 2 357.458 0.667 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969299483 1167864538 /nfs/dbraw/zinc/86/45/38/1167864538.db2.gz KMXVHVCODWWLPY-IBEHDNSVSA-N 2 2 357.458 0.667 20 0 FCADLP COc1coc(C[NH+]2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1=O ZINC000969699527 1168062631 /nfs/dbraw/zinc/06/26/31/1168062631.db2.gz KTFHDMDUQOIJOG-XJKCOSOUSA-N 2 2 363.458 0.925 20 0 FCADLP COc1coc(C[NH+]2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1=O ZINC000969699527 1168062635 /nfs/dbraw/zinc/06/26/35/1168062635.db2.gz KTFHDMDUQOIJOG-XJKCOSOUSA-N 2 2 363.458 0.925 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193462 1168224372 /nfs/dbraw/zinc/22/43/72/1168224372.db2.gz SRGNPBDYYFJXFK-FHLIZLRMSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193462 1168224387 /nfs/dbraw/zinc/22/43/87/1168224387.db2.gz SRGNPBDYYFJXFK-FHLIZLRMSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193462 1168224396 /nfs/dbraw/zinc/22/43/96/1168224396.db2.gz SRGNPBDYYFJXFK-FHLIZLRMSA-N 2 2 361.490 0.624 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193462 1168224408 /nfs/dbraw/zinc/22/44/08/1168224408.db2.gz SRGNPBDYYFJXFK-FHLIZLRMSA-N 2 2 361.490 0.624 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969958189 1168234547 /nfs/dbraw/zinc/23/45/47/1168234547.db2.gz JNBUSRJXKGDEJL-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CC(=O)N2CCCCC2)C1 ZINC000969958189 1168234554 /nfs/dbraw/zinc/23/45/54/1168234554.db2.gz JNBUSRJXKGDEJL-BFYDXBDKSA-N 2 2 366.506 0.155 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000970013460 1168279235 /nfs/dbraw/zinc/27/92/35/1168279235.db2.gz SVBSZXZDPITZCX-BZUAXINKSA-N 2 2 359.474 0.727 20 0 FCADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977166 1168333757 /nfs/dbraw/zinc/33/37/57/1168333757.db2.gz LATSDOXMOHGZCU-JFIYKMOQSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977166 1168333762 /nfs/dbraw/zinc/33/37/62/1168333762.db2.gz LATSDOXMOHGZCU-JFIYKMOQSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977166 1168333771 /nfs/dbraw/zinc/33/37/71/1168333771.db2.gz LATSDOXMOHGZCU-JFIYKMOQSA-N 2 2 362.518 0.872 20 0 FCADLP CCN(C(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1)C1CC1 ZINC001690977166 1168333777 /nfs/dbraw/zinc/33/37/77/1168333777.db2.gz LATSDOXMOHGZCU-JFIYKMOQSA-N 2 2 362.518 0.872 20 0 FCADLP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)C(=O)N(C)C ZINC001167271544 1168483058 /nfs/dbraw/zinc/48/30/58/1168483058.db2.gz WRTWMABYESOSTH-RBSFLKMASA-N 2 2 361.490 0.876 20 0 FCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000970444063 1168879445 /nfs/dbraw/zinc/87/94/45/1168879445.db2.gz CWZRQRKUATUWII-IAOVAPTHSA-N 2 2 369.469 0.859 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001021260082 1168880243 /nfs/dbraw/zinc/88/02/43/1168880243.db2.gz XPHDWEJDXPHGAF-AKBNIOSXSA-N 2 2 371.485 0.751 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001021260082 1168880244 /nfs/dbraw/zinc/88/02/44/1168880244.db2.gz XPHDWEJDXPHGAF-AKBNIOSXSA-N 2 2 371.485 0.751 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)n1 ZINC001083207805 1169781575 /nfs/dbraw/zinc/78/15/75/1169781575.db2.gz PMZDUAODDGULQW-DLBZAZTESA-N 2 2 358.446 0.377 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)n1 ZINC001083207805 1169781589 /nfs/dbraw/zinc/78/15/89/1169781589.db2.gz PMZDUAODDGULQW-DLBZAZTESA-N 2 2 358.446 0.377 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104315516 1169905038 /nfs/dbraw/zinc/90/50/38/1169905038.db2.gz SDXQHQWOQPLDLL-RRCSTGOVSA-N 2 2 357.462 0.916 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]Cc1cnnn1C ZINC001104315516 1169905049 /nfs/dbraw/zinc/90/50/49/1169905049.db2.gz SDXQHQWOQPLDLL-RRCSTGOVSA-N 2 2 357.462 0.916 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021779501 1170030243 /nfs/dbraw/zinc/03/02/43/1170030243.db2.gz BDTLDJWZBHBACY-YQQAZPJKSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001021779501 1170030249 /nfs/dbraw/zinc/03/02/49/1170030249.db2.gz BDTLDJWZBHBACY-YQQAZPJKSA-N 2 2 371.485 0.743 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC000988718472 1192401510 /nfs/dbraw/zinc/40/15/10/1192401510.db2.gz QVXDRFVPGINQFN-INMHGKMJSA-N 2 2 370.457 0.756 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021938347 1170326565 /nfs/dbraw/zinc/32/65/65/1170326565.db2.gz RACDTJROCVYAFT-CGTJXYLNSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001021938347 1170326572 /nfs/dbraw/zinc/32/65/72/1170326572.db2.gz RACDTJROCVYAFT-CGTJXYLNSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1CC[NH2+]CCOCCO ZINC001104362753 1170484273 /nfs/dbraw/zinc/48/42/73/1170484273.db2.gz HXDVSQNQHBCKNO-BRWVUGGUSA-N 2 2 364.490 0.529 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000971568590 1170541264 /nfs/dbraw/zinc/54/12/64/1170541264.db2.gz WIFZRGOTORFAKJ-OWCLPIDISA-N 2 2 359.474 0.506 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000971568590 1170541271 /nfs/dbraw/zinc/54/12/71/1170541271.db2.gz WIFZRGOTORFAKJ-OWCLPIDISA-N 2 2 359.474 0.506 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1CC[NH2+]CCn1cncn1 ZINC001104367339 1170652428 /nfs/dbraw/zinc/65/24/28/1170652428.db2.gz PQXULOAKOVSLHJ-ZACQAIPSSA-N 2 2 371.489 0.811 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022213241 1170760216 /nfs/dbraw/zinc/76/02/16/1170760216.db2.gz ZQNIPIHQHMSYEP-RYQLBKOJSA-N 2 2 371.485 0.364 20 0 FCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217614 1170766658 /nfs/dbraw/zinc/76/66/58/1170766658.db2.gz RPVJLOBFPBJIOB-YQQAZPJKSA-N 2 2 371.485 0.743 20 0 FCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217614 1170766677 /nfs/dbraw/zinc/76/66/77/1170766677.db2.gz RPVJLOBFPBJIOB-YQQAZPJKSA-N 2 2 371.485 0.743 20 0 FCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891682618 1170812460 /nfs/dbraw/zinc/81/24/60/1170812460.db2.gz YJSMKMDCBYHKSM-KFWWJZLASA-N 2 2 370.413 0.411 20 0 FCADLP COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780920 1170822368 /nfs/dbraw/zinc/82/23/68/1170822368.db2.gz FTBFFLRKFWVJQT-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780920 1170822369 /nfs/dbraw/zinc/82/23/69/1170822369.db2.gz FTBFFLRKFWVJQT-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780920 1170822371 /nfs/dbraw/zinc/82/23/71/1170822371.db2.gz FTBFFLRKFWVJQT-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC000971780920 1170822372 /nfs/dbraw/zinc/82/23/72/1170822372.db2.gz FTBFFLRKFWVJQT-FVQBIDKESA-N 2 2 363.462 0.237 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275791 1170823953 /nfs/dbraw/zinc/82/39/53/1170823953.db2.gz RXSSDZSNFDVAPH-XHJNMGKDSA-N 2 2 367.450 0.233 20 0 FCADLP COCc1noc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275791 1170823957 /nfs/dbraw/zinc/82/39/57/1170823957.db2.gz RXSSDZSNFDVAPH-XHJNMGKDSA-N 2 2 367.450 0.233 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275790 1170824258 /nfs/dbraw/zinc/82/42/58/1170824258.db2.gz RXSSDZSNFDVAPH-XGFWRYKXSA-N 2 2 367.450 0.233 20 0 FCADLP COCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001022275790 1170824259 /nfs/dbraw/zinc/82/42/59/1170824259.db2.gz RXSSDZSNFDVAPH-XGFWRYKXSA-N 2 2 367.450 0.233 20 0 FCADLP COCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691151727 1170842552 /nfs/dbraw/zinc/84/25/52/1170842552.db2.gz RFPUFKPCSVDIHH-KSZLIROESA-N 2 2 369.506 0.341 20 0 FCADLP COCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001691151727 1170842554 /nfs/dbraw/zinc/84/25/54/1170842554.db2.gz RFPUFKPCSVDIHH-KSZLIROESA-N 2 2 369.506 0.341 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001022391520 1170991041 /nfs/dbraw/zinc/99/10/41/1170991041.db2.gz YHWDIRFSZPVPSR-YQQAZPJKSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001022391520 1170991051 /nfs/dbraw/zinc/99/10/51/1170991051.db2.gz YHWDIRFSZPVPSR-YQQAZPJKSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001691264829 1170995901 /nfs/dbraw/zinc/99/59/01/1170995901.db2.gz LSEYHNUXQAPHGK-ZMSDIMECSA-N 2 2 361.490 0.848 20 0 FCADLP CCOC1CC(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)([NH+]2CCOCC2)C1 ZINC000891858939 1171007395 /nfs/dbraw/zinc/00/73/95/1171007395.db2.gz YHADRCHMWDCYRV-JGJLBUBWSA-N 2 2 366.506 0.840 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC001691273141 1171010859 /nfs/dbraw/zinc/01/08/59/1171010859.db2.gz IZHPUQQULPYQQZ-DLBZAZTESA-N 2 2 371.489 0.717 20 0 FCADLP Cn1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC001691273141 1171010868 /nfs/dbraw/zinc/01/08/68/1171010868.db2.gz IZHPUQQULPYQQZ-DLBZAZTESA-N 2 2 371.489 0.717 20 0 FCADLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CCC[NH2+]Cc1nnnn1C ZINC001691410432 1171283712 /nfs/dbraw/zinc/28/37/12/1171283712.db2.gz VROYDXAVUMBECQ-UKRRQHHQSA-N 2 2 360.466 0.673 20 0 FCADLP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000934046094 1171300669 /nfs/dbraw/zinc/30/06/69/1171300669.db2.gz XZBABHBNNPJCPJ-QZTJIDSGSA-N 2 2 363.458 0.851 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001087190648 1171339154 /nfs/dbraw/zinc/33/91/54/1171339154.db2.gz XDBZVVBQMRKBKF-SNPRPXQTSA-N 2 2 360.466 0.693 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000971961178 1171461601 /nfs/dbraw/zinc/46/16/01/1171461601.db2.gz PQRMWXHKUNRWGY-HUUCEWRRSA-N 2 2 357.458 0.497 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971966242 1171470312 /nfs/dbraw/zinc/47/03/12/1171470312.db2.gz PDCGVLWRXMZYIR-BZUAXINKSA-N 2 2 359.474 0.886 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971966242 1171470314 /nfs/dbraw/zinc/47/03/14/1171470314.db2.gz PDCGVLWRXMZYIR-BZUAXINKSA-N 2 2 359.474 0.886 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000892050277 1171530406 /nfs/dbraw/zinc/53/04/06/1171530406.db2.gz CALARNABJYHCRP-SFHVURJKSA-N 2 2 364.490 0.731 20 0 FCADLP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000892050277 1171530413 /nfs/dbraw/zinc/53/04/13/1171530413.db2.gz CALARNABJYHCRP-SFHVURJKSA-N 2 2 364.490 0.731 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000892184696 1171699384 /nfs/dbraw/zinc/69/93/84/1171699384.db2.gz VXRVANNXIAQIMJ-ROUUACIJSA-N 2 2 362.474 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000892184696 1171699392 /nfs/dbraw/zinc/69/93/92/1171699392.db2.gz VXRVANNXIAQIMJ-ROUUACIJSA-N 2 2 362.474 0.483 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000988783244 1192479148 /nfs/dbraw/zinc/47/91/48/1192479148.db2.gz RVUCHDYNZOCRKB-MIGQKNRLSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000988783244 1192479152 /nfs/dbraw/zinc/47/91/52/1192479152.db2.gz RVUCHDYNZOCRKB-MIGQKNRLSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@H](CC(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC000972183674 1171830830 /nfs/dbraw/zinc/83/08/30/1171830830.db2.gz XOSKFHLOKCHTDT-BRWVUGGUSA-N 2 2 359.474 0.989 20 0 FCADLP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892281566 1171980166 /nfs/dbraw/zinc/98/01/66/1171980166.db2.gz ISESFNDRPQTIRZ-SFHVURJKSA-N 2 2 364.490 0.731 20 0 FCADLP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892281566 1171980172 /nfs/dbraw/zinc/98/01/72/1171980172.db2.gz ISESFNDRPQTIRZ-SFHVURJKSA-N 2 2 364.490 0.731 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@@H+](C)C4)[C@H]3C2)ncn1 ZINC001083248077 1172003156 /nfs/dbraw/zinc/00/31/56/1172003156.db2.gz QPNXBVMJPNWJIU-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[N@H+](C)C4)[C@H]3C2)ncn1 ZINC001083248077 1172003164 /nfs/dbraw/zinc/00/31/64/1172003164.db2.gz QPNXBVMJPNWJIU-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@H]3C2)ncn1 ZINC001083248077 1172003168 /nfs/dbraw/zinc/00/31/68/1172003168.db2.gz QPNXBVMJPNWJIU-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[C@H]4CC[NH+](C)C4)[C@H]3C2)ncn1 ZINC001083248077 1172003174 /nfs/dbraw/zinc/00/31/74/1172003174.db2.gz QPNXBVMJPNWJIU-BPQIPLTHSA-N 2 2 359.474 0.538 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]21 ZINC001083248558 1172008298 /nfs/dbraw/zinc/00/82/98/1172008298.db2.gz MUHCBBSFWYEVJP-FGTMMUONSA-N 2 2 362.474 0.833 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972376081 1172034131 /nfs/dbraw/zinc/03/41/31/1172034131.db2.gz WKYROZADTBYYCK-GVDBMIGSSA-N 2 2 369.469 0.955 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC000972376081 1172034141 /nfs/dbraw/zinc/03/41/41/1172034141.db2.gz WKYROZADTBYYCK-GVDBMIGSSA-N 2 2 369.469 0.955 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCOCCC[NH3+])C2)c1 ZINC000892293371 1172038892 /nfs/dbraw/zinc/03/88/92/1172038892.db2.gz ZYWGQABYNFBUIN-SFHVURJKSA-N 2 2 364.490 0.860 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCOCCC[NH3+])C2)c1 ZINC000892293371 1172038905 /nfs/dbraw/zinc/03/89/05/1172038905.db2.gz ZYWGQABYNFBUIN-SFHVURJKSA-N 2 2 364.490 0.860 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001022842647 1172048074 /nfs/dbraw/zinc/04/80/74/1172048074.db2.gz XRNGBSFFNCYFCB-BHYGNILZSA-N 2 2 357.458 0.353 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000989052033 1192661602 /nfs/dbraw/zinc/66/16/02/1192661602.db2.gz ILFJCGRMNYNZPX-VYDXJSESSA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000989052033 1192661608 /nfs/dbraw/zinc/66/16/08/1192661608.db2.gz ILFJCGRMNYNZPX-VYDXJSESSA-N 2 2 361.490 0.943 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1[C@@H]2C[C@H]1CN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001272184408 1192707722 /nfs/dbraw/zinc/70/77/22/1192707722.db2.gz OVEMADSNZVJUEW-IXDOHACOSA-N 2 2 357.458 0.569 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H]1C ZINC000989191192 1192732914 /nfs/dbraw/zinc/73/29/14/1192732914.db2.gz NDKJFJSMTZOCHP-KBMXLJTQSA-N 2 2 359.474 0.708 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC2(CCC2)C1 ZINC000459989060 1192784334 /nfs/dbraw/zinc/78/43/34/1192784334.db2.gz JMLCIEBWFBJCLG-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCOC2(CCC2)C1 ZINC000459989060 1192784342 /nfs/dbraw/zinc/78/43/42/1192784342.db2.gz JMLCIEBWFBJCLG-UHFFFAOYSA-N 2 2 366.506 0.252 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088674823 1192816872 /nfs/dbraw/zinc/81/68/72/1192816872.db2.gz YXRFMPOFGVEOKA-YCPHGPKFSA-N 2 2 360.462 0.050 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCN1CCNC1=O ZINC001088674823 1192816874 /nfs/dbraw/zinc/81/68/74/1192816874.db2.gz YXRFMPOFGVEOKA-YCPHGPKFSA-N 2 2 360.462 0.050 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C)n1 ZINC001088679398 1192818353 /nfs/dbraw/zinc/81/83/53/1192818353.db2.gz OKGSVBFWGXJWHC-XYPHTWIQSA-N 2 2 371.489 0.933 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C)n1 ZINC001088679398 1192818358 /nfs/dbraw/zinc/81/83/58/1192818358.db2.gz OKGSVBFWGXJWHC-XYPHTWIQSA-N 2 2 371.489 0.933 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCN1CCCC1=O ZINC001088679323 1192818449 /nfs/dbraw/zinc/81/84/49/1192818449.db2.gz MGAILRPATWJCTK-OAGGEKHMSA-N 2 2 359.474 0.647 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCN1CCCC1=O ZINC001088679323 1192818452 /nfs/dbraw/zinc/81/84/52/1192818452.db2.gz MGAILRPATWJCTK-OAGGEKHMSA-N 2 2 359.474 0.647 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2[nH+]cnc3c2cnn3C)CC[N@@H+]1C ZINC001105582497 1192834468 /nfs/dbraw/zinc/83/44/68/1192834468.db2.gz WTUKNQFXWONZLU-DZGCQCFKSA-N 2 2 359.478 0.988 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)c2[nH+]cnc3c2cnn3C)CC[N@H+]1C ZINC001105582497 1192834469 /nfs/dbraw/zinc/83/44/69/1192834469.db2.gz WTUKNQFXWONZLU-DZGCQCFKSA-N 2 2 359.478 0.988 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898168130 1192861721 /nfs/dbraw/zinc/86/17/21/1192861721.db2.gz KZMAEDQYZZOROO-UXLLHSPISA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000898168130 1192861723 /nfs/dbraw/zinc/86/17/23/1192861723.db2.gz KZMAEDQYZZOROO-UXLLHSPISA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898168130 1192861724 /nfs/dbraw/zinc/86/17/24/1192861724.db2.gz KZMAEDQYZZOROO-UXLLHSPISA-N 2 2 361.490 0.893 20 0 FCADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000898168130 1192861726 /nfs/dbraw/zinc/86/17/26/1192861726.db2.gz KZMAEDQYZZOROO-UXLLHSPISA-N 2 2 361.490 0.893 20 0 FCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842052863 1192863627 /nfs/dbraw/zinc/86/36/27/1192863627.db2.gz WUIVUXFISNIGJW-GJYPPUQNSA-N 2 2 364.490 0.101 20 0 FCADLP O=C1NC[C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000091867018 1178871484 /nfs/dbraw/zinc/87/14/84/1178871484.db2.gz BGBUGRYEXTZVMW-KRWDZBQOSA-N 2 2 372.469 0.304 20 0 FCADLP O=C1NC[C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1=O ZINC000091867018 1178871487 /nfs/dbraw/zinc/87/14/87/1178871487.db2.gz BGBUGRYEXTZVMW-KRWDZBQOSA-N 2 2 372.469 0.304 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083259839 1179325618 /nfs/dbraw/zinc/32/56/18/1179325618.db2.gz VAWVNQIPBCUKKH-DLBZAZTESA-N 2 2 358.446 0.148 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]21 ZINC001083259839 1179325628 /nfs/dbraw/zinc/32/56/28/1179325628.db2.gz VAWVNQIPBCUKKH-DLBZAZTESA-N 2 2 358.446 0.148 20 0 FCADLP CCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450456 1179752709 /nfs/dbraw/zinc/75/27/09/1179752709.db2.gz GDHVGWWRQZECRJ-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)n1 ZINC001023450456 1179752713 /nfs/dbraw/zinc/75/27/13/1179752713.db2.gz GDHVGWWRQZECRJ-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450456 1179752719 /nfs/dbraw/zinc/75/27/19/1179752719.db2.gz GDHVGWWRQZECRJ-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CCc1noc(C[NH+]2CCC[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001023450456 1179752726 /nfs/dbraw/zinc/75/27/26/1179752726.db2.gz GDHVGWWRQZECRJ-RBSFLKMASA-N 2 2 365.478 0.679 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000972607892 1179972738 /nfs/dbraw/zinc/97/27/38/1179972738.db2.gz DDWCFNNEMSILDW-OWCLPIDISA-N 2 2 359.474 0.886 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCOCCO)C1 ZINC001211734323 1180237294 /nfs/dbraw/zinc/23/72/94/1180237294.db2.gz QDHMIYFSGVECHY-ZWKOTPCHSA-N 2 2 358.442 0.476 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[N@@H+]1CCOCCO ZINC001691482393 1180576639 /nfs/dbraw/zinc/57/66/39/1180576639.db2.gz FLJKTZFECVGYGJ-JKSUJKDBSA-N 2 2 352.479 0.905 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[N@H+]1CCOCCO ZINC001691482393 1180576667 /nfs/dbraw/zinc/57/66/67/1180576667.db2.gz FLJKTZFECVGYGJ-JKSUJKDBSA-N 2 2 352.479 0.905 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1)[NH+](C)C ZINC000972725547 1180654327 /nfs/dbraw/zinc/65/43/27/1180654327.db2.gz ZSWYBPQCGCXZKW-KYJSFNMBSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1)[NH+](C)C ZINC000972725547 1180654335 /nfs/dbraw/zinc/65/43/35/1180654335.db2.gz ZSWYBPQCGCXZKW-KYJSFNMBSA-N 2 2 361.490 0.988 20 0 FCADLP Cn1cnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001024164051 1180930683 /nfs/dbraw/zinc/93/06/83/1180930683.db2.gz TXJLQVRQIOATPM-RBSFLKMASA-N 2 2 357.462 0.681 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001024445507 1181178075 /nfs/dbraw/zinc/17/80/75/1181178075.db2.gz OGRFYWUJQYWXAT-JZXOWHBKSA-N 2 2 366.506 0.189 20 0 FCADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001024445507 1181178081 /nfs/dbraw/zinc/17/80/81/1181178081.db2.gz OGRFYWUJQYWXAT-JZXOWHBKSA-N 2 2 366.506 0.189 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024493886 1181243861 /nfs/dbraw/zinc/24/38/61/1181243861.db2.gz YBMUJOOIQGHTGO-HZPDHXFCSA-N 2 2 368.397 0.070 20 0 FCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024623851 1181408247 /nfs/dbraw/zinc/40/82/47/1181408247.db2.gz RVIPAJDHSKUXTK-IIAWOOMASA-N 2 2 371.441 0.120 20 0 FCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024623851 1181408253 /nfs/dbraw/zinc/40/82/53/1181408253.db2.gz RVIPAJDHSKUXTK-IIAWOOMASA-N 2 2 371.441 0.120 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)cc1 ZINC001024669921 1181458360 /nfs/dbraw/zinc/45/83/60/1181458360.db2.gz BUMBTFACUOCNNW-IAGOWNOFSA-N 2 2 371.441 0.016 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC001067535721 1181751060 /nfs/dbraw/zinc/75/10/60/1181751060.db2.gz DEIDPZNMWJAMLJ-NVXWUHKLSA-N 2 2 363.506 1.000 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCCN(C)C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC001067535721 1181751067 /nfs/dbraw/zinc/75/10/67/1181751067.db2.gz DEIDPZNMWJAMLJ-NVXWUHKLSA-N 2 2 363.506 1.000 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)o1 ZINC001083275111 1181781505 /nfs/dbraw/zinc/78/15/05/1181781505.db2.gz OQPGNBRAYWWPHD-HLLBOEOZSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)o1 ZINC001083275111 1181781508 /nfs/dbraw/zinc/78/15/08/1181781508.db2.gz OQPGNBRAYWWPHD-HLLBOEOZSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@H]3C2)o1 ZINC001083275111 1181781512 /nfs/dbraw/zinc/78/15/12/1181781512.db2.gz OQPGNBRAYWWPHD-HLLBOEOZSA-N 2 2 362.474 0.909 20 0 FCADLP CCc1nc(C)c(C[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@H]3C2)o1 ZINC001083275111 1181781515 /nfs/dbraw/zinc/78/15/15/1181781515.db2.gz OQPGNBRAYWWPHD-HLLBOEOZSA-N 2 2 362.474 0.909 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@@H+]1C ZINC001024967018 1181807014 /nfs/dbraw/zinc/80/70/14/1181807014.db2.gz KJCDHAGLIMHDMV-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(N(C)C)no2)CC[N@H+]1C ZINC001024967018 1181807017 /nfs/dbraw/zinc/80/70/17/1181807017.db2.gz KJCDHAGLIMHDMV-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892610148 1181927610 /nfs/dbraw/zinc/92/76/10/1181927610.db2.gz AILYVXFYAZKMDT-QZTJIDSGSA-N 2 2 362.474 0.565 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892610148 1181927617 /nfs/dbraw/zinc/92/76/17/1181927617.db2.gz AILYVXFYAZKMDT-QZTJIDSGSA-N 2 2 362.474 0.565 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104684072 1182366570 /nfs/dbraw/zinc/36/65/70/1182366570.db2.gz XAGHMVULNAOVHF-HUUCEWRRSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]Cc1nnn(C)n1 ZINC001104684072 1182366575 /nfs/dbraw/zinc/36/65/75/1182366575.db2.gz XAGHMVULNAOVHF-HUUCEWRRSA-N 2 2 363.510 0.516 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cncn3C)CC2)CC[N@@H+]1C ZINC001267607350 1182366780 /nfs/dbraw/zinc/36/67/80/1182366780.db2.gz FVHGAMPAXJAIPF-SJLPKXTDSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(Cc3cncn3C)CC2)CC[N@H+]1C ZINC001267607350 1182366781 /nfs/dbraw/zinc/36/67/81/1182366781.db2.gz FVHGAMPAXJAIPF-SJLPKXTDSA-N 2 2 362.522 0.336 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284197 1182517851 /nfs/dbraw/zinc/51/78/51/1182517851.db2.gz WJZRMNKOYWUMBB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284197 1182517858 /nfs/dbraw/zinc/51/78/58/1182517858.db2.gz WJZRMNKOYWUMBB-YESZJQIVSA-N 2 2 366.506 0.251 20 0 FCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001025789557 1182839211 /nfs/dbraw/zinc/83/92/11/1182839211.db2.gz MITAGCXKHCUIPY-UDOHHAEJSA-N 2 2 371.485 0.464 20 0 FCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001025789557 1182839214 /nfs/dbraw/zinc/83/92/14/1182839214.db2.gz MITAGCXKHCUIPY-UDOHHAEJSA-N 2 2 371.485 0.464 20 0 FCADLP CC[C@H](CO)Nc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000893106826 1182875650 /nfs/dbraw/zinc/87/56/50/1182875650.db2.gz UNBGDLOBTIGMPX-OAHLLOKOSA-N 2 2 365.478 0.323 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001026050752 1182876745 /nfs/dbraw/zinc/87/67/45/1182876745.db2.gz BPGAPSGJDKVOSM-ZTUHZDJASA-N 2 2 357.458 0.237 20 0 FCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001026050752 1182876748 /nfs/dbraw/zinc/87/67/48/1182876748.db2.gz BPGAPSGJDKVOSM-ZTUHZDJASA-N 2 2 357.458 0.237 20 0 FCADLP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)n1 ZINC001083290718 1182904752 /nfs/dbraw/zinc/90/47/52/1182904752.db2.gz RMBHVZVTRRPXCW-DLBZAZTESA-N 2 2 358.446 0.308 20 0 FCADLP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)n1 ZINC001083290718 1182904762 /nfs/dbraw/zinc/90/47/62/1182904762.db2.gz RMBHVZVTRRPXCW-DLBZAZTESA-N 2 2 358.446 0.308 20 0 FCADLP Cc1noc(C[NH2+]CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C)n1 ZINC001104796825 1182924136 /nfs/dbraw/zinc/92/41/36/1182924136.db2.gz XURCMCXKKZIEBQ-GDBMZVCRSA-N 2 2 365.478 0.675 20 0 FCADLP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)c1nnnn1C ZINC001104910535 1182992494 /nfs/dbraw/zinc/99/24/94/1182992494.db2.gz KKRMFLZVTAJUJN-MGPQQGTHSA-N 2 2 360.466 0.322 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC2CC2)C1 ZINC001104954593 1183018965 /nfs/dbraw/zinc/01/89/65/1183018965.db2.gz JQLPANTYDVPSLI-CZUORRHYSA-N 2 2 361.490 0.861 20 0 FCADLP O=C(N[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000974162192 1183022476 /nfs/dbraw/zinc/02/24/76/1183022476.db2.gz CPHQJBIJDSBMET-YIDVYQOGSA-N 2 2 357.458 0.618 20 0 FCADLP O=C(N[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000974162192 1183022485 /nfs/dbraw/zinc/02/24/85/1183022485.db2.gz CPHQJBIJDSBMET-YIDVYQOGSA-N 2 2 357.458 0.618 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@@H+]1C ZINC000974185163 1183038764 /nfs/dbraw/zinc/03/87/64/1183038764.db2.gz FRGSVMUZVNKQLN-WVCIDPQESA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC[N@H+]1C ZINC000974185163 1183038769 /nfs/dbraw/zinc/03/87/69/1183038769.db2.gz FRGSVMUZVNKQLN-WVCIDPQESA-N 2 2 359.474 0.549 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@@H+]1C ZINC000974185522 1183039915 /nfs/dbraw/zinc/03/99/15/1183039915.db2.gz QEKHROYTGTZUIZ-UXXRCYHCSA-N 2 2 359.474 0.933 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC[N@H+]1C ZINC000974185522 1183039924 /nfs/dbraw/zinc/03/99/24/1183039924.db2.gz QEKHROYTGTZUIZ-UXXRCYHCSA-N 2 2 359.474 0.933 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001105101730 1183122079 /nfs/dbraw/zinc/12/20/79/1183122079.db2.gz ZIKFBERRXBXMOU-NVXWUHKLSA-N 2 2 357.458 0.856 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(=O)NCC1CCC1 ZINC001105101667 1183122374 /nfs/dbraw/zinc/12/23/74/1183122374.db2.gz WPVSDHVOTXGESU-NVXWUHKLSA-N 2 2 361.490 0.874 20 0 FCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC000974574998 1183343365 /nfs/dbraw/zinc/34/33/65/1183343365.db2.gz APDOTACUWZCFPQ-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCN(C(=O)CCn4cc[nH+]c4)C[C@H]32)C1 ZINC000974574998 1183343373 /nfs/dbraw/zinc/34/33/73/1183343373.db2.gz APDOTACUWZCFPQ-GVDBMIGSSA-N 2 2 359.474 0.674 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000974578195 1183349176 /nfs/dbraw/zinc/34/91/76/1183349176.db2.gz WOLBZEJMVPFCNF-BPQIPLTHSA-N 2 2 371.485 0.364 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC000974587896 1183355203 /nfs/dbraw/zinc/35/52/03/1183355203.db2.gz QREMTXPXIOGXJC-RBSFLKMASA-N 2 2 359.474 0.698 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)c4c[nH+]c[nH]4)[C@@H]3C2)C1 ZINC000974587896 1183355211 /nfs/dbraw/zinc/35/52/11/1183355211.db2.gz QREMTXPXIOGXJC-RBSFLKMASA-N 2 2 359.474 0.698 20 0 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CC(C)n1ncnc1C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028628874 1187758129 /nfs/dbraw/zinc/75/81/29/1187758129.db2.gz BAIHXTIZORNZEV-BZUAXINKSA-N 2 2 364.494 0.516 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983319587 1187904066 /nfs/dbraw/zinc/90/40/66/1187904066.db2.gz BILXSGBHOQNOCR-BZUAXINKSA-N 2 2 371.485 0.584 20 0 FCADLP Cn1cc(CC[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001028811950 1187910812 /nfs/dbraw/zinc/91/08/12/1187910812.db2.gz UANLMHYEZMKSDG-USXIJHARSA-N 2 2 356.474 0.938 20 0 FCADLP Cn1cc(CC[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001028811950 1187910815 /nfs/dbraw/zinc/91/08/15/1187910815.db2.gz UANLMHYEZMKSDG-USXIJHARSA-N 2 2 356.474 0.938 20 0 FCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]([NH3+])CCCNC(=O)OCc1ccccc1 ZINC001269931567 1187945195 /nfs/dbraw/zinc/94/51/95/1187945195.db2.gz QOLTYVASUPTFIX-BBWFWOEESA-N 2 2 360.458 0.935 20 0 FCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]([NH3+])CCCNC(=O)OCc1ccccc1 ZINC001269931567 1187945203 /nfs/dbraw/zinc/94/52/03/1187945203.db2.gz QOLTYVASUPTFIX-BBWFWOEESA-N 2 2 360.458 0.935 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C2)C1 ZINC001270272011 1188072368 /nfs/dbraw/zinc/07/23/68/1188072368.db2.gz HRSFATWAAITZRM-UHFFFAOYSA-N 2 2 356.430 0.381 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C2)C1 ZINC001270272011 1188072373 /nfs/dbraw/zinc/07/23/73/1188072373.db2.gz HRSFATWAAITZRM-UHFFFAOYSA-N 2 2 356.430 0.381 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C2)C1 ZINC001270272011 1188072376 /nfs/dbraw/zinc/07/23/76/1188072376.db2.gz HRSFATWAAITZRM-UHFFFAOYSA-N 2 2 356.430 0.381 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C2)C1 ZINC001270272011 1188072385 /nfs/dbraw/zinc/07/23/85/1188072385.db2.gz HRSFATWAAITZRM-UHFFFAOYSA-N 2 2 356.430 0.381 20 0 FCADLP C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1c[nH+]cn1C)[NH+]1CCCC1 ZINC001270489100 1188168037 /nfs/dbraw/zinc/16/80/37/1188168037.db2.gz FAIOGQYHLURITI-DJIMGWMZSA-N 2 2 359.474 0.996 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1CC(=O)NCC1CC1 ZINC001691516206 1188400669 /nfs/dbraw/zinc/40/06/69/1188400669.db2.gz YRVNVFAEWSARSO-GVDBMIGSSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1CC(=O)NCC1CC1 ZINC001691516206 1188400672 /nfs/dbraw/zinc/40/06/72/1188400672.db2.gz YRVNVFAEWSARSO-GVDBMIGSSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1CC(=O)NCC1CC1 ZINC001691516206 1188400673 /nfs/dbraw/zinc/40/06/73/1188400673.db2.gz YRVNVFAEWSARSO-GVDBMIGSSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1CC(=O)NCC1CC1 ZINC001691516206 1188400676 /nfs/dbraw/zinc/40/06/76/1188400676.db2.gz YRVNVFAEWSARSO-GVDBMIGSSA-N 2 2 366.506 0.202 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@@H+]1CC(=O)N(C)C ZINC001087653382 1189707065 /nfs/dbraw/zinc/70/70/65/1189707065.db2.gz URAKSYZOKUELQA-DOTOQJQBSA-N 2 2 370.457 0.938 20 0 FCADLP CC[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[N@H+]1CC(=O)N(C)C ZINC001087653382 1189707083 /nfs/dbraw/zinc/70/70/83/1189707083.db2.gz URAKSYZOKUELQA-DOTOQJQBSA-N 2 2 370.457 0.938 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2CC3(CCOCC3)[C@H](O)C2=O)C1 ZINC000840017121 1189812530 /nfs/dbraw/zinc/81/25/30/1189812530.db2.gz GDKXSDWAZADXCW-IAGOWNOFSA-N 2 2 369.506 0.377 20 0 FCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2CC3(CCOCC3)[C@H](O)C2=O)C1 ZINC000840017121 1189812532 /nfs/dbraw/zinc/81/25/32/1189812532.db2.gz GDKXSDWAZADXCW-IAGOWNOFSA-N 2 2 369.506 0.377 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001271142857 1189813480 /nfs/dbraw/zinc/81/34/80/1189813480.db2.gz GRSJEWXECKSXID-QFBILLFUSA-N 2 2 359.474 0.818 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001271142854 1189813626 /nfs/dbraw/zinc/81/36/26/1189813626.db2.gz GRSJEWXECKSXID-LPHOPBHVSA-N 2 2 359.474 0.818 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC000984353648 1189822641 /nfs/dbraw/zinc/82/26/41/1189822641.db2.gz VZPUQNZIFLWNTE-OWCLPIDISA-N 2 2 363.462 0.052 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC000984353648 1189822642 /nfs/dbraw/zinc/82/26/42/1189822642.db2.gz VZPUQNZIFLWNTE-OWCLPIDISA-N 2 2 363.462 0.052 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001075820050 1189828623 /nfs/dbraw/zinc/82/86/23/1189828623.db2.gz LLRXIKGNFMLTGE-USXIJHARSA-N 2 2 371.485 0.573 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001075820050 1189828625 /nfs/dbraw/zinc/82/86/25/1189828625.db2.gz LLRXIKGNFMLTGE-USXIJHARSA-N 2 2 371.485 0.573 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895560849 1189865287 /nfs/dbraw/zinc/86/52/87/1189865287.db2.gz JWMYRPIBYRRSCD-AWEZNQCLSA-N 2 2 357.462 0.885 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895560849 1189865289 /nfs/dbraw/zinc/86/52/89/1189865289.db2.gz JWMYRPIBYRRSCD-AWEZNQCLSA-N 2 2 357.462 0.885 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920429 1189903745 /nfs/dbraw/zinc/90/37/45/1189903745.db2.gz ONVUFQOXJPFGIA-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920429 1189903759 /nfs/dbraw/zinc/90/37/59/1189903759.db2.gz ONVUFQOXJPFGIA-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920429 1189903766 /nfs/dbraw/zinc/90/37/66/1189903766.db2.gz ONVUFQOXJPFGIA-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920429 1189903776 /nfs/dbraw/zinc/90/37/76/1189903776.db2.gz ONVUFQOXJPFGIA-SOLBZPMBSA-N 2 2 359.474 0.396 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920557 1189904552 /nfs/dbraw/zinc/90/45/52/1189904552.db2.gz TZBKNBOUGDMWDO-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920557 1189904564 /nfs/dbraw/zinc/90/45/64/1189904564.db2.gz TZBKNBOUGDMWDO-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920557 1189904578 /nfs/dbraw/zinc/90/45/78/1189904578.db2.gz TZBKNBOUGDMWDO-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@@H]3C2)o1 ZINC001087920557 1189904591 /nfs/dbraw/zinc/90/45/91/1189904591.db2.gz TZBKNBOUGDMWDO-RYRKJORJSA-N 2 2 362.474 0.902 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964679 1190011997 /nfs/dbraw/zinc/01/19/97/1190011997.db2.gz WDLJUEXERNBSNZ-OWCLPIDISA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964679 1190012000 /nfs/dbraw/zinc/01/20/00/1190012000.db2.gz WDLJUEXERNBSNZ-OWCLPIDISA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964679 1190012004 /nfs/dbraw/zinc/01/20/04/1190012004.db2.gz WDLJUEXERNBSNZ-OWCLPIDISA-N 2 2 361.494 0.363 20 0 FCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001087964679 1190012010 /nfs/dbraw/zinc/01/20/10/1190012010.db2.gz WDLJUEXERNBSNZ-OWCLPIDISA-N 2 2 361.494 0.363 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[N@H+]([C@@H]5CCNC5=O)CC[C@@H]4C3)ccn12 ZINC001087966802 1190021366 /nfs/dbraw/zinc/02/13/66/1190021366.db2.gz WFCJGJWOBOWOLA-IXDOHACOSA-N 2 2 367.453 0.925 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[N@@H+]([C@@H]5CCNC5=O)CC[C@@H]4C3)ccn12 ZINC001087966802 1190021375 /nfs/dbraw/zinc/02/13/75/1190021375.db2.gz WFCJGJWOBOWOLA-IXDOHACOSA-N 2 2 367.453 0.925 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000896563003 1190093444 /nfs/dbraw/zinc/09/34/44/1190093444.db2.gz IAKYURHOGFFOBM-DFQSSKMNSA-N 2 2 373.545 0.726 20 0 FCADLP C[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896563003 1190093445 /nfs/dbraw/zinc/09/34/45/1190093445.db2.gz IAKYURHOGFFOBM-DFQSSKMNSA-N 2 2 373.545 0.726 20 0 FCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986347 1190115590 /nfs/dbraw/zinc/11/55/90/1190115590.db2.gz HHPPVRALKLJTIA-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986347 1190115595 /nfs/dbraw/zinc/11/55/95/1190115595.db2.gz HHPPVRALKLJTIA-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986347 1190115600 /nfs/dbraw/zinc/11/56/00/1190115600.db2.gz HHPPVRALKLJTIA-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001087986347 1190115602 /nfs/dbraw/zinc/11/56/02/1190115602.db2.gz HHPPVRALKLJTIA-RYRKJORJSA-N 2 2 360.506 0.970 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994953 1190148577 /nfs/dbraw/zinc/14/85/77/1190148577.db2.gz LSKCXWJQTVXQAT-KFWWJZLASA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994953 1190148579 /nfs/dbraw/zinc/14/85/79/1190148579.db2.gz LSKCXWJQTVXQAT-KFWWJZLASA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994953 1190148581 /nfs/dbraw/zinc/14/85/81/1190148581.db2.gz LSKCXWJQTVXQAT-KFWWJZLASA-N 2 2 361.494 0.536 20 0 FCADLP C[C@H](c1nnnn1C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994953 1190148584 /nfs/dbraw/zinc/14/85/84/1190148584.db2.gz LSKCXWJQTVXQAT-KFWWJZLASA-N 2 2 361.494 0.536 20 0 FCADLP Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087999742 1190170638 /nfs/dbraw/zinc/17/06/38/1190170638.db2.gz YBJUNWNGSDSEIY-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[NH+]4C)C[C@@H]3C2)n1 ZINC001087999742 1190170641 /nfs/dbraw/zinc/17/06/41/1190170641.db2.gz YBJUNWNGSDSEIY-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@@H+]4C)C[C@@H]3C2)n1 ZINC001087999742 1190170644 /nfs/dbraw/zinc/17/06/44/1190170644.db2.gz YBJUNWNGSDSEIY-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)CC[C@H]4CCC[N@H+]4C)C[C@@H]3C2)n1 ZINC001087999742 1190170645 /nfs/dbraw/zinc/17/06/45/1190170645.db2.gz YBJUNWNGSDSEIY-SOLBZPMBSA-N 2 2 360.506 0.970 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088050784 1190311447 /nfs/dbraw/zinc/31/14/47/1190311447.db2.gz VRNPIIXMMUMFOR-PMPSAXMXSA-N 2 2 359.474 0.364 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)CC[C@@H]2C1 ZINC001088050784 1190311456 /nfs/dbraw/zinc/31/14/56/1190311456.db2.gz VRNPIIXMMUMFOR-PMPSAXMXSA-N 2 2 359.474 0.364 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053107 1190319413 /nfs/dbraw/zinc/31/94/13/1190319413.db2.gz VAFMQIUSZZMLSL-IKGGRYGDSA-N 2 2 366.506 0.014 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053107 1190319419 /nfs/dbraw/zinc/31/94/19/1190319419.db2.gz VAFMQIUSZZMLSL-IKGGRYGDSA-N 2 2 366.506 0.014 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053107 1190319427 /nfs/dbraw/zinc/31/94/27/1190319427.db2.gz VAFMQIUSZZMLSL-IKGGRYGDSA-N 2 2 366.506 0.014 20 0 FCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)CC[C@@H]2C1 ZINC001088053107 1190319435 /nfs/dbraw/zinc/31/94/35/1190319435.db2.gz VAFMQIUSZZMLSL-IKGGRYGDSA-N 2 2 366.506 0.014 20 0 FCADLP CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@@H]3C2)n1 ZINC001088106018 1190592429 /nfs/dbraw/zinc/59/24/29/1190592429.db2.gz KTMPQTKCNGIUIN-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CC[C@@H](C)C4)C[C@@H]3C2)n1 ZINC001088106018 1190592431 /nfs/dbraw/zinc/59/24/31/1190592431.db2.gz KTMPQTKCNGIUIN-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@@H+]4CC[C@@H](C)C4)C[C@@H]3C2)n1 ZINC001088106018 1190592434 /nfs/dbraw/zinc/59/24/34/1190592434.db2.gz KTMPQTKCNGIUIN-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncc(C[NH+]2CC[C@@H]3CN(C(=O)C[N@H+]4CC[C@@H](C)C4)C[C@@H]3C2)n1 ZINC001088106018 1190592438 /nfs/dbraw/zinc/59/24/38/1190592438.db2.gz KTMPQTKCNGIUIN-ZACQAIPSSA-N 2 2 360.506 0.920 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088151961 1190678098 /nfs/dbraw/zinc/67/80/98/1190678098.db2.gz FBRMUZDEAFHBFV-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCCN3CCCC3=O)CC[C@@H]2C1 ZINC001088151961 1190678102 /nfs/dbraw/zinc/67/81/02/1190678102.db2.gz FBRMUZDEAFHBFV-CVEARBPZSA-N 2 2 359.474 0.745 20 0 FCADLP O=C(N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)c1c[nH]c(=O)cn1 ZINC001271778333 1190698821 /nfs/dbraw/zinc/69/88/21/1190698821.db2.gz OEUDNYODAORPFK-MSOLQXFVSA-N 2 2 356.430 0.831 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1=O ZINC001075866814 1190719215 /nfs/dbraw/zinc/71/92/15/1190719215.db2.gz TWUDFXAWGDJDMO-USXIJHARSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)C1=O ZINC001075866814 1190719222 /nfs/dbraw/zinc/71/92/22/1190719222.db2.gz TWUDFXAWGDJDMO-USXIJHARSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001075866814 1190719229 /nfs/dbraw/zinc/71/92/29/1190719229.db2.gz TWUDFXAWGDJDMO-USXIJHARSA-N 2 2 359.474 0.884 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001075866814 1190719234 /nfs/dbraw/zinc/71/92/34/1190719234.db2.gz TWUDFXAWGDJDMO-USXIJHARSA-N 2 2 359.474 0.884 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001088336033 1190752584 /nfs/dbraw/zinc/75/25/84/1190752584.db2.gz TYWMSNSYODOLIR-FRFSOERESA-N 2 2 365.478 0.958 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001088336033 1190752595 /nfs/dbraw/zinc/75/25/95/1190752595.db2.gz TYWMSNSYODOLIR-FRFSOERESA-N 2 2 365.478 0.958 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(C[C@@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757038 1224114150 /nfs/dbraw/zinc/11/41/50/1224114150.db2.gz MWZCKPHYGINRII-VQIMIIECSA-N 2 2 367.490 0.535 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C[C@@H]2COC(C)(C)O2)C(=O)CO3)CC1 ZINC001276757038 1224114153 /nfs/dbraw/zinc/11/41/53/1224114153.db2.gz MWZCKPHYGINRII-VQIMIIECSA-N 2 2 367.490 0.535 20 0 FCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000986130829 1190901153 /nfs/dbraw/zinc/90/11/53/1190901153.db2.gz NKFNGFAQDIIELV-SJORKVTESA-N 2 2 359.474 0.676 20 0 FCADLP CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1)[NH+](C)C ZINC000986278967 1190943215 /nfs/dbraw/zinc/94/32/15/1190943215.db2.gz GMJVTLSTVIRYLE-HLLBOEOZSA-N 2 2 361.490 0.989 20 0 FCADLP C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(C(=O)Cn2cc[nH+]c2)CC3)CC1 ZINC001272021925 1190949720 /nfs/dbraw/zinc/94/97/20/1190949720.db2.gz KXXMTIMWSNTIIU-MRXNPFEDSA-N 2 2 359.474 0.722 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000986437907 1190994313 /nfs/dbraw/zinc/99/43/13/1190994313.db2.gz NJQWKBDSRNPCCE-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000986437907 1190994316 /nfs/dbraw/zinc/99/43/16/1190994316.db2.gz NJQWKBDSRNPCCE-IXDOHACOSA-N 2 2 359.474 0.674 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ccn(C)n3)CC2)O1 ZINC001029972276 1191053257 /nfs/dbraw/zinc/05/32/57/1191053257.db2.gz FWKFJXSWQZITQI-CRAIPNDOSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH+](C)Cc3ccn(C)n3)CC2)O1 ZINC001029972276 1191053260 /nfs/dbraw/zinc/05/32/60/1191053260.db2.gz FWKFJXSWQZITQI-CRAIPNDOSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ccn(C)n3)CC2)O1 ZINC001029972276 1191053263 /nfs/dbraw/zinc/05/32/63/1191053263.db2.gz FWKFJXSWQZITQI-CRAIPNDOSA-N 2 2 363.506 0.810 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088505695 1191062067 /nfs/dbraw/zinc/06/20/67/1191062067.db2.gz REBURMNCEVSEBV-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001088505695 1191062069 /nfs/dbraw/zinc/06/20/69/1191062069.db2.gz REBURMNCEVSEBV-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001088505695 1191062071 /nfs/dbraw/zinc/06/20/71/1191062071.db2.gz REBURMNCEVSEBV-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001088505695 1191062074 /nfs/dbraw/zinc/06/20/74/1191062074.db2.gz REBURMNCEVSEBV-XOKHGSTOSA-N 2 2 360.458 0.195 20 0 FCADLP O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)N1CCCC1 ZINC001075883276 1191065476 /nfs/dbraw/zinc/06/54/76/1191065476.db2.gz WHOHPBPQQMQHPO-GVDBMIGSSA-N 2 2 371.485 0.916 20 0 FCADLP O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1)N1CCCC1 ZINC001075883276 1191065482 /nfs/dbraw/zinc/06/54/82/1191065482.db2.gz WHOHPBPQQMQHPO-GVDBMIGSSA-N 2 2 371.485 0.916 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986685085 1191080124 /nfs/dbraw/zinc/08/01/24/1191080124.db2.gz XQLRDSGLFHVELF-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1 ZINC000986685085 1191080126 /nfs/dbraw/zinc/08/01/26/1191080126.db2.gz XQLRDSGLFHVELF-OAGGEKHMSA-N 2 2 359.474 0.601 20 0 FCADLP COCCCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001276762899 1224129236 /nfs/dbraw/zinc/12/92/36/1224129236.db2.gz NIKIQENEDILDNI-INIZCTEOSA-N 2 2 366.506 0.015 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000988114064 1191151160 /nfs/dbraw/zinc/15/11/60/1191151160.db2.gz QZCXUNCJRLRCLL-CJNGLKHVSA-N 2 2 358.446 0.663 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988179886 1191158882 /nfs/dbraw/zinc/15/88/82/1191158882.db2.gz ZCIMWFBBUAJNQU-BZUAXINKSA-N 2 2 361.490 0.908 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988179886 1191158884 /nfs/dbraw/zinc/15/88/84/1191158884.db2.gz ZCIMWFBBUAJNQU-BZUAXINKSA-N 2 2 361.490 0.908 20 0 FCADLP CC(C)CN1C(=O)C[C@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001276765402 1224132680 /nfs/dbraw/zinc/13/26/80/1224132680.db2.gz USSHPZNFBUMPDP-IBGZPJMESA-N 2 2 364.490 0.258 20 0 FCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088563261 1191197563 /nfs/dbraw/zinc/19/75/63/1191197563.db2.gz JSFYXDBJXIMHRY-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088563261 1191197565 /nfs/dbraw/zinc/19/75/65/1191197565.db2.gz JSFYXDBJXIMHRY-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC001088563261 1191197566 /nfs/dbraw/zinc/19/75/66/1191197566.db2.gz JSFYXDBJXIMHRY-IKGGRYGDSA-N 2 2 366.506 0.297 20 0 FCADLP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OC2C[NH+](C)C2)cc1)C(N)=O ZINC001217964839 1224133651 /nfs/dbraw/zinc/13/36/51/1224133651.db2.gz JDIXBAHDNGRUQU-IRXDYDNUSA-N 2 2 362.474 0.265 20 0 FCADLP CNC(=O)C(C)(C)[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276773413 1224143754 /nfs/dbraw/zinc/14/37/54/1224143754.db2.gz LUBDJTQAPUDOAH-SFHVURJKSA-N 2 2 361.446 0.249 20 0 FCADLP CNC(=O)C(C)(C)[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001276773413 1224143756 /nfs/dbraw/zinc/14/37/56/1224143756.db2.gz LUBDJTQAPUDOAH-SFHVURJKSA-N 2 2 361.446 0.249 20 0 FCADLP COCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001218306642 1224153043 /nfs/dbraw/zinc/15/30/43/1224153043.db2.gz POODCMUMGGYRGA-ZWKOTPCHSA-N 2 2 362.474 0.710 20 0 FCADLP COCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001218306642 1224153044 /nfs/dbraw/zinc/15/30/44/1224153044.db2.gz POODCMUMGGYRGA-ZWKOTPCHSA-N 2 2 362.474 0.710 20 0 FCADLP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2ccc3c(n2)OCCO3)C1=O ZINC001276788441 1224165182 /nfs/dbraw/zinc/16/51/82/1224165182.db2.gz LUDOXIJOJDJFPM-LJQANCHMSA-N 2 2 360.458 0.981 20 0 FCADLP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000550761348 1193761868 /nfs/dbraw/zinc/76/18/68/1193761868.db2.gz BULAOKFXRMLHTP-QGZVFWFLSA-N 2 2 369.469 0.753 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@@H+]1C ZINC001060001934 1193762681 /nfs/dbraw/zinc/76/26/81/1193762681.db2.gz JRTZQZYYFINXSL-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1[C@H](C(=O)NCC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC[N@H+]1C ZINC001060001934 1193762684 /nfs/dbraw/zinc/76/26/84/1193762684.db2.gz JRTZQZYYFINXSL-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001218536385 1224169660 /nfs/dbraw/zinc/16/96/60/1224169660.db2.gz KVFPOBIYXUXSSM-RYQLBKOJSA-N 2 2 362.474 0.702 20 0 FCADLP CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001218536385 1224169662 /nfs/dbraw/zinc/16/96/62/1224169662.db2.gz KVFPOBIYXUXSSM-RYQLBKOJSA-N 2 2 362.474 0.702 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000551140847 1193836661 /nfs/dbraw/zinc/83/66/61/1193836661.db2.gz XCVLFLYVXYDVPL-CVEARBPZSA-N 2 2 359.474 0.621 20 0 FCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551140847 1193836662 /nfs/dbraw/zinc/83/66/62/1193836662.db2.gz XCVLFLYVXYDVPL-CVEARBPZSA-N 2 2 359.474 0.621 20 0 FCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000551284433 1193848307 /nfs/dbraw/zinc/84/83/07/1193848307.db2.gz PKBQUCGUBNUOFN-OAHLLOKOSA-N 2 2 359.474 0.727 20 0 FCADLP COCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105646019 1193853340 /nfs/dbraw/zinc/85/33/40/1193853340.db2.gz GWONLVBXJAGPOG-RWQQGDIJSA-N 2 2 364.490 0.886 20 0 FCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000551657554 1193866921 /nfs/dbraw/zinc/86/69/21/1193866921.db2.gz IFJMDHQAYIWWPS-YESZJQIVSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n3nccc3[nH]2)[C@@H]1C ZINC001088750309 1193883072 /nfs/dbraw/zinc/88/30/72/1193883072.db2.gz GPZAUGHJKRAJGD-HIFRSBDPSA-N 2 2 369.429 0.307 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)n3nccc3[nH]2)[C@@H]1C ZINC001088750309 1193883074 /nfs/dbraw/zinc/88/30/74/1193883074.db2.gz GPZAUGHJKRAJGD-HIFRSBDPSA-N 2 2 369.429 0.307 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)no1 ZINC001075976260 1193890320 /nfs/dbraw/zinc/89/03/20/1193890320.db2.gz RRWGPFHROMZSFI-APHBMKBZSA-N 2 2 361.446 0.161 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)no1 ZINC001075976260 1193890321 /nfs/dbraw/zinc/89/03/21/1193890321.db2.gz RRWGPFHROMZSFI-APHBMKBZSA-N 2 2 361.446 0.161 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472350 1193899757 /nfs/dbraw/zinc/89/97/57/1193899757.db2.gz SLJQXOHNMYGBHZ-YYQUZTFQSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472350 1193899761 /nfs/dbraw/zinc/89/97/61/1193899761.db2.gz SLJQXOHNMYGBHZ-YYQUZTFQSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472350 1193899763 /nfs/dbraw/zinc/89/97/63/1193899763.db2.gz SLJQXOHNMYGBHZ-YYQUZTFQSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472350 1193899764 /nfs/dbraw/zinc/89/97/64/1193899764.db2.gz SLJQXOHNMYGBHZ-YYQUZTFQSA-N 2 2 365.449 0.836 20 0 FCADLP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)cn2)CC1 ZINC001218580576 1224176669 /nfs/dbraw/zinc/17/66/69/1224176669.db2.gz SBEANYRMWRBOFD-OAHLLOKOSA-N 3 2 359.478 0.041 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCO)C2)[C@H]1C(C)C ZINC001105668322 1193949657 /nfs/dbraw/zinc/94/96/57/1193949657.db2.gz JJCBMAVVZDKRHM-RWQQGDIJSA-N 2 2 364.490 0.609 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)CC)C[C@@H]21)[NH+](CC)CC ZINC001218624389 1224184373 /nfs/dbraw/zinc/18/43/73/1224184373.db2.gz OXSKCCFZESUESW-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP CC[C@@H](C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@H]21)[NH+](CC)CC ZINC001218624389 1224184376 /nfs/dbraw/zinc/18/43/76/1224184376.db2.gz OXSKCCFZESUESW-YESZJQIVSA-N 2 2 368.522 0.497 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]3C2)cn1 ZINC001218644896 1224187888 /nfs/dbraw/zinc/18/78/88/1224187888.db2.gz AHFRTYCCBYSYRT-DLBZAZTESA-N 2 2 363.506 0.810 20 0 FCADLP Cn1cc(C[N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]3C2)cn1 ZINC001218644896 1224187891 /nfs/dbraw/zinc/18/78/91/1224187891.db2.gz AHFRTYCCBYSYRT-DLBZAZTESA-N 2 2 363.506 0.810 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]3C2)cn1 ZINC001218644896 1224187892 /nfs/dbraw/zinc/18/78/92/1224187892.db2.gz AHFRTYCCBYSYRT-DLBZAZTESA-N 2 2 363.506 0.810 20 0 FCADLP Cn1cc(C[NH+]2C[C@H]3OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]3C2)cn1 ZINC001218644896 1224187896 /nfs/dbraw/zinc/18/78/96/1224187896.db2.gz AHFRTYCCBYSYRT-DLBZAZTESA-N 2 2 363.506 0.810 20 0 FCADLP CC(C)[N@H+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001142583975 1194049482 /nfs/dbraw/zinc/04/94/82/1194049482.db2.gz DGYKGBYEOBZMME-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001142583975 1194049488 /nfs/dbraw/zinc/04/94/88/1194049488.db2.gz DGYKGBYEOBZMME-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001142583975 1194049492 /nfs/dbraw/zinc/04/94/92/1194049492.db2.gz DGYKGBYEOBZMME-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CC(C)[NH+](C)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001142583975 1194049497 /nfs/dbraw/zinc/04/94/97/1194049497.db2.gz DGYKGBYEOBZMME-UHFFFAOYSA-N 3 2 367.538 0.023 20 0 FCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000842194579 1194087681 /nfs/dbraw/zinc/08/76/81/1194087681.db2.gz PDXBLUWIYYTBBO-GOSISDBHSA-N 2 2 373.501 0.691 20 0 FCADLP [NH3+][C@H](Cc1ccccc1F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669855 1224193203 /nfs/dbraw/zinc/19/32/03/1224193203.db2.gz ZFQWPNUPOKEBCI-QGZVFWFLSA-N 2 2 361.421 0.863 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521734 1194136786 /nfs/dbraw/zinc/13/67/86/1194136786.db2.gz FNMBGTIFBTUNJT-NXHRZFHOSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521734 1194136790 /nfs/dbraw/zinc/13/67/90/1194136790.db2.gz FNMBGTIFBTUNJT-NXHRZFHOSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521734 1194136796 /nfs/dbraw/zinc/13/67/96/1194136796.db2.gz FNMBGTIFBTUNJT-NXHRZFHOSA-N 2 2 364.490 0.931 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521734 1194136800 /nfs/dbraw/zinc/13/68/00/1194136800.db2.gz FNMBGTIFBTUNJT-NXHRZFHOSA-N 2 2 364.490 0.931 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CCN1CCNC1=O ZINC001088822762 1194158947 /nfs/dbraw/zinc/15/89/47/1194158947.db2.gz GYUHBLQVABVVIB-HIFRSBDPSA-N 2 2 363.462 0.559 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CCN1CCNC1=O ZINC001088822762 1194158951 /nfs/dbraw/zinc/15/89/51/1194158951.db2.gz GYUHBLQVABVVIB-HIFRSBDPSA-N 2 2 363.462 0.559 20 0 FCADLP COCCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696694 1224198086 /nfs/dbraw/zinc/19/80/86/1224198086.db2.gz GXOILHVEXUZPAL-IXDOHACOSA-N 2 2 366.462 0.409 20 0 FCADLP COCCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696694 1224198093 /nfs/dbraw/zinc/19/80/93/1224198093.db2.gz GXOILHVEXUZPAL-IXDOHACOSA-N 2 2 366.462 0.409 20 0 FCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2nnc(C3CCOCC3)n2c1 ZINC001218744376 1224210199 /nfs/dbraw/zinc/21/01/99/1224210199.db2.gz GKVZNADLLRBIJA-UHFFFAOYSA-N 2 2 358.446 0.903 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242508 1194370107 /nfs/dbraw/zinc/37/01/07/1194370107.db2.gz HMLHCEVTCVKMFJ-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242508 1194370110 /nfs/dbraw/zinc/37/01/10/1194370110.db2.gz HMLHCEVTCVKMFJ-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242508 1194370115 /nfs/dbraw/zinc/37/01/15/1194370115.db2.gz HMLHCEVTCVKMFJ-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCCC4)C[C@H]32)C1 ZINC001076242508 1194370121 /nfs/dbraw/zinc/37/01/21/1194370121.db2.gz HMLHCEVTCVKMFJ-SOLBZPMBSA-N 2 2 362.518 0.920 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001076295808 1194387774 /nfs/dbraw/zinc/38/77/74/1194387774.db2.gz ZAGARVUHJZKTMZ-SWLSCSKDSA-N 2 2 367.413 0.021 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001076295808 1194387778 /nfs/dbraw/zinc/38/77/78/1194387778.db2.gz ZAGARVUHJZKTMZ-SWLSCSKDSA-N 2 2 367.413 0.021 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795239 1224219746 /nfs/dbraw/zinc/21/97/46/1224219746.db2.gz XXLDZIADRCEJIS-KLHDSHLOSA-N 2 2 369.506 0.752 20 0 FCADLP CCOC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001276795239 1224219764 /nfs/dbraw/zinc/21/97/64/1224219764.db2.gz XXLDZIADRCEJIS-KLHDSHLOSA-N 2 2 369.506 0.752 20 0 FCADLP COC(=O)c1c[nH]c2ncnc(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)c12 ZINC001218781403 1224220453 /nfs/dbraw/zinc/22/04/53/1224220453.db2.gz RZFJNXRXOZYCDP-GFCCVEGCSA-N 2 2 354.370 0.955 20 0 FCADLP CCn1c(C)nnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457783 1194498240 /nfs/dbraw/zinc/49/82/40/1194498240.db2.gz QYYVRODONMQRSA-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457783 1194498248 /nfs/dbraw/zinc/49/82/48/1194498248.db2.gz QYYVRODONMQRSA-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457783 1194498253 /nfs/dbraw/zinc/49/82/53/1194498253.db2.gz QYYVRODONMQRSA-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP CCn1c(C)nnc1C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457783 1194498261 /nfs/dbraw/zinc/49/82/61/1194498261.db2.gz QYYVRODONMQRSA-IXDOHACOSA-N 2 2 360.506 0.981 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076462065 1194506838 /nfs/dbraw/zinc/50/68/38/1194506838.db2.gz GVISAFSMGFHSHX-YQQAZPJKSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001076462065 1194506842 /nfs/dbraw/zinc/50/68/42/1194506842.db2.gz GVISAFSMGFHSHX-YQQAZPJKSA-N 2 2 359.474 0.412 20 0 FCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462254 1194506920 /nfs/dbraw/zinc/50/69/20/1194506920.db2.gz NRBZCTHDNMFGPJ-USXIJHARSA-N 2 2 359.474 0.505 20 0 FCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]cn4C)[C@@H]3C2)C1=O ZINC001076462254 1194506923 /nfs/dbraw/zinc/50/69/23/1194506923.db2.gz NRBZCTHDNMFGPJ-USXIJHARSA-N 2 2 359.474 0.505 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076462493 1194507356 /nfs/dbraw/zinc/50/73/56/1194507356.db2.gz XBVNKXXMOMJQKT-JCGIZDLHSA-N 2 2 371.485 0.649 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076462493 1194507364 /nfs/dbraw/zinc/50/73/64/1194507364.db2.gz XBVNKXXMOMJQKT-JCGIZDLHSA-N 2 2 371.485 0.649 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)n1 ZINC001076501140 1194526760 /nfs/dbraw/zinc/52/67/60/1194526760.db2.gz XYKBSUZXRQOBBF-DOTOQJQBSA-N 2 2 357.462 0.702 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H]3CCN(C(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)n1 ZINC001076501140 1194526767 /nfs/dbraw/zinc/52/67/67/1194526767.db2.gz XYKBSUZXRQOBBF-DOTOQJQBSA-N 2 2 357.462 0.702 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504624 1194528846 /nfs/dbraw/zinc/52/88/46/1194528846.db2.gz IZRWKNJNJBXQBQ-JCGIZDLHSA-N 2 2 371.485 0.947 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC001076504624 1194528853 /nfs/dbraw/zinc/52/88/53/1194528853.db2.gz IZRWKNJNJBXQBQ-JCGIZDLHSA-N 2 2 371.485 0.947 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001076504793 1194529863 /nfs/dbraw/zinc/52/98/63/1194529863.db2.gz ROXOFARNEPFIQP-ZMSDIMECSA-N 2 2 358.446 0.051 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001076504793 1194529870 /nfs/dbraw/zinc/52/98/70/1194529870.db2.gz ROXOFARNEPFIQP-ZMSDIMECSA-N 2 2 358.446 0.051 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076515499 1194530105 /nfs/dbraw/zinc/53/01/05/1194530105.db2.gz BTMHGFZTQXLYHT-USXIJHARSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001076515499 1194530113 /nfs/dbraw/zinc/53/01/13/1194530113.db2.gz BTMHGFZTQXLYHT-USXIJHARSA-N 2 2 369.473 0.664 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076517753 1194532804 /nfs/dbraw/zinc/53/28/04/1194532804.db2.gz VUZOWZYRHKSJLR-FUHWJXTLSA-N 2 2 369.469 0.784 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001076517753 1194532807 /nfs/dbraw/zinc/53/28/07/1194532807.db2.gz VUZOWZYRHKSJLR-FUHWJXTLSA-N 2 2 369.469 0.784 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]21 ZINC001076576291 1194582680 /nfs/dbraw/zinc/58/26/80/1194582680.db2.gz DYEUYLXTIVFNND-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]21 ZINC001076576291 1194582684 /nfs/dbraw/zinc/58/26/84/1194582684.db2.gz DYEUYLXTIVFNND-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21 ZINC001076633222 1194606890 /nfs/dbraw/zinc/60/68/90/1194606890.db2.gz DCXMHLHUSWDJFS-GOEBONIOSA-N 2 2 368.441 0.989 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21 ZINC001076633222 1194606894 /nfs/dbraw/zinc/60/68/94/1194606894.db2.gz DCXMHLHUSWDJFS-GOEBONIOSA-N 2 2 368.441 0.989 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1)C1CC1 ZINC001218819951 1224232186 /nfs/dbraw/zinc/23/21/86/1224232186.db2.gz SUPGZTVKKUBGAW-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1)C1CC1 ZINC001218819951 1224232193 /nfs/dbraw/zinc/23/21/93/1224232193.db2.gz SUPGZTVKKUBGAW-DLBZAZTESA-N 2 2 366.506 0.251 20 0 FCADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])cc2)CC1 ZINC001218845645 1224239024 /nfs/dbraw/zinc/23/90/24/1224239024.db2.gz GEWAKBZRCHDMMO-SFHVURJKSA-N 2 2 373.501 0.712 20 0 FCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218901706 1224251567 /nfs/dbraw/zinc/25/15/67/1224251567.db2.gz LSRZGPJVFIXZSY-JKSUJKDBSA-N 2 2 361.446 0.026 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@@H]21 ZINC001218912211 1224255995 /nfs/dbraw/zinc/25/59/95/1224255995.db2.gz RWZZSKHYYBGPCQ-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@@H]21 ZINC001218912211 1224256005 /nfs/dbraw/zinc/25/60/05/1224256005.db2.gz RWZZSKHYYBGPCQ-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@@H]21 ZINC001218912211 1224256019 /nfs/dbraw/zinc/25/60/19/1224256019.db2.gz RWZZSKHYYBGPCQ-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP CC[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@@H]21 ZINC001218912211 1224256027 /nfs/dbraw/zinc/25/60/27/1224256027.db2.gz RWZZSKHYYBGPCQ-DLBZAZTESA-N 2 2 362.474 0.844 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834603 1195043028 /nfs/dbraw/zinc/04/30/28/1195043028.db2.gz YIAAOOISKNAPDA-QRVBRYPASA-N 2 2 370.453 0.227 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834603 1195043033 /nfs/dbraw/zinc/04/30/33/1195043033.db2.gz YIAAOOISKNAPDA-QRVBRYPASA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834603 1195043037 /nfs/dbraw/zinc/04/30/37/1195043037.db2.gz YIAAOOISKNAPDA-QRVBRYPASA-N 2 2 370.453 0.227 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2O)C1 ZINC001076834603 1195043040 /nfs/dbraw/zinc/04/30/40/1195043040.db2.gz YIAAOOISKNAPDA-QRVBRYPASA-N 2 2 370.453 0.227 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001076836820 1195043078 /nfs/dbraw/zinc/04/30/78/1195043078.db2.gz AKDGULLPEALYGP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001076836820 1195043082 /nfs/dbraw/zinc/04/30/82/1195043082.db2.gz AKDGULLPEALYGP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001076836820 1195043088 /nfs/dbraw/zinc/04/30/88/1195043088.db2.gz AKDGULLPEALYGP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP Cc1cccc(CCC[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001076836820 1195043094 /nfs/dbraw/zinc/04/30/94/1195043094.db2.gz AKDGULLPEALYGP-QRVBRYPASA-N 2 2 361.486 0.420 20 0 FCADLP CN1CCC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1=O ZINC001076999527 1195127977 /nfs/dbraw/zinc/12/79/77/1195127977.db2.gz VMGFFNDYIXPCOR-OWCLPIDISA-N 2 2 366.506 0.033 20 0 FCADLP CN1CCC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1=O ZINC001076999527 1195127981 /nfs/dbraw/zinc/12/79/81/1195127981.db2.gz VMGFFNDYIXPCOR-OWCLPIDISA-N 2 2 366.506 0.033 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]3O)ccn12 ZINC001076996790 1195135449 /nfs/dbraw/zinc/13/54/49/1195135449.db2.gz NKHHVBYUSYDSDU-DJIMGWMZSA-N 2 2 358.442 0.844 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@H]3O)ccn12 ZINC001076996790 1195135456 /nfs/dbraw/zinc/13/54/56/1195135456.db2.gz NKHHVBYUSYDSDU-DJIMGWMZSA-N 2 2 358.442 0.844 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001077007519 1195143267 /nfs/dbraw/zinc/14/32/67/1195143267.db2.gz PTLJXYGOLCEBLD-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001077007519 1195143272 /nfs/dbraw/zinc/14/32/72/1195143272.db2.gz PTLJXYGOLCEBLD-BRWVUGGUSA-N 2 2 360.458 0.093 20 0 FCADLP COC(=O)c1n[nH]c2cccc(NC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)c21 ZINC001218933015 1224262697 /nfs/dbraw/zinc/26/26/97/1224262697.db2.gz VYTQGBSNNAGREG-NSHDSACASA-N 2 2 360.418 0.038 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077026689 1195157477 /nfs/dbraw/zinc/15/74/77/1195157477.db2.gz FVNIQHPZEGSITP-OKDNKWQNSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077026689 1195157485 /nfs/dbraw/zinc/15/74/85/1195157485.db2.gz FVNIQHPZEGSITP-OKDNKWQNSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077026689 1195157497 /nfs/dbraw/zinc/15/74/97/1195157497.db2.gz FVNIQHPZEGSITP-OKDNKWQNSA-N 2 2 364.490 0.937 20 0 FCADLP CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001077026689 1195157503 /nfs/dbraw/zinc/15/75/03/1195157503.db2.gz FVNIQHPZEGSITP-OKDNKWQNSA-N 2 2 364.490 0.937 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077026837 1195157820 /nfs/dbraw/zinc/15/78/20/1195157820.db2.gz MUQMSDJKDBRDFB-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccnc(OC)c3)C[C@H]2O)CC[N@H+]1C ZINC001077026837 1195157826 /nfs/dbraw/zinc/15/78/26/1195157826.db2.gz MUQMSDJKDBRDFB-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]2O)CC[NH+]1C ZINC001077026837 1195157831 /nfs/dbraw/zinc/15/78/31/1195157831.db2.gz MUQMSDJKDBRDFB-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@H]2O)CC[NH+]1C ZINC001077026837 1195157836 /nfs/dbraw/zinc/15/78/36/1195157836.db2.gz MUQMSDJKDBRDFB-YLFCFFPRSA-N 2 2 362.474 0.482 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077032973 1195166275 /nfs/dbraw/zinc/16/62/75/1195166275.db2.gz JFYVRKAMCLUZSI-GVDBMIGSSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001077032973 1195166281 /nfs/dbraw/zinc/16/62/81/1195166281.db2.gz JFYVRKAMCLUZSI-GVDBMIGSSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077033536 1195167087 /nfs/dbraw/zinc/16/70/87/1195167087.db2.gz YMJQDGCBHZQIAZ-DJIMGWMZSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001077033536 1195167090 /nfs/dbraw/zinc/16/70/90/1195167090.db2.gz YMJQDGCBHZQIAZ-DJIMGWMZSA-N 2 2 362.474 0.350 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077034414 1195168168 /nfs/dbraw/zinc/16/81/68/1195168168.db2.gz XQCLXHLOCGMQIT-BRWVUGGUSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001077034414 1195168176 /nfs/dbraw/zinc/16/81/76/1195168176.db2.gz XQCLXHLOCGMQIT-BRWVUGGUSA-N 2 2 362.474 0.492 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@@H]2O)c[nH+]1 ZINC001083563186 1195219046 /nfs/dbraw/zinc/21/90/46/1195219046.db2.gz CIFARTQFEJCEBB-CVEARBPZSA-N 2 2 360.462 0.064 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)c[nH+]1 ZINC001083563186 1195219051 /nfs/dbraw/zinc/21/90/51/1195219051.db2.gz CIFARTQFEJCEBB-CVEARBPZSA-N 2 2 360.462 0.064 20 0 FCADLP C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001218944225 1224268143 /nfs/dbraw/zinc/26/81/43/1224268143.db2.gz ARUVTYSMEXZKGK-ABAIWWIYSA-N 2 2 354.414 0.789 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1F ZINC001077220485 1195329155 /nfs/dbraw/zinc/32/91/55/1195329155.db2.gz MQSNAYKAQMLHGS-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1F ZINC001077220485 1195329159 /nfs/dbraw/zinc/32/91/59/1195329159.db2.gz MQSNAYKAQMLHGS-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1F ZINC001077220485 1195329163 /nfs/dbraw/zinc/32/91/63/1195329163.db2.gz MQSNAYKAQMLHGS-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1F ZINC001077220485 1195329168 /nfs/dbraw/zinc/32/91/68/1195329168.db2.gz MQSNAYKAQMLHGS-BNEJOLLZSA-N 2 2 365.449 0.515 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965258 1224273644 /nfs/dbraw/zinc/27/36/44/1224273644.db2.gz IHWVLYIDPFSQFP-YESZJQIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218965258 1224273655 /nfs/dbraw/zinc/27/36/55/1224273655.db2.gz IHWVLYIDPFSQFP-YESZJQIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218965258 1224273665 /nfs/dbraw/zinc/27/36/65/1224273665.db2.gz IHWVLYIDPFSQFP-YESZJQIVSA-N 2 2 366.506 0.107 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001218965258 1224273672 /nfs/dbraw/zinc/27/36/72/1224273672.db2.gz IHWVLYIDPFSQFP-YESZJQIVSA-N 2 2 366.506 0.107 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236827 1195343897 /nfs/dbraw/zinc/34/38/97/1195343897.db2.gz SIEBZWCQEOTQFP-BRWVUGGUSA-N 2 2 359.430 0.368 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236827 1195343903 /nfs/dbraw/zinc/34/39/03/1195343903.db2.gz SIEBZWCQEOTQFP-BRWVUGGUSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236827 1195343909 /nfs/dbraw/zinc/34/39/09/1195343909.db2.gz SIEBZWCQEOTQFP-BRWVUGGUSA-N 2 2 359.430 0.368 20 0 FCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)C[C@H]1O ZINC001077236827 1195343915 /nfs/dbraw/zinc/34/39/15/1195343915.db2.gz SIEBZWCQEOTQFP-BRWVUGGUSA-N 2 2 359.430 0.368 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251726 1195357107 /nfs/dbraw/zinc/35/71/07/1195357107.db2.gz MRNFZWICXJMNRS-BHIYHBOVSA-N 2 2 370.453 0.299 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251726 1195357112 /nfs/dbraw/zinc/35/71/12/1195357112.db2.gz MRNFZWICXJMNRS-BHIYHBOVSA-N 2 2 370.453 0.299 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)c1 ZINC001218971299 1224275489 /nfs/dbraw/zinc/27/54/89/1224275489.db2.gz XDPDHHMZXGBBJX-ZWKOTPCHSA-N 2 2 362.474 0.380 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@H]3OCCN(C(=O)COCC[NH+](C)C)[C@H]3C2)c1 ZINC001218971299 1224275498 /nfs/dbraw/zinc/27/54/98/1224275498.db2.gz XDPDHHMZXGBBJX-ZWKOTPCHSA-N 2 2 362.474 0.380 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570767 1195376481 /nfs/dbraw/zinc/37/64/81/1195376481.db2.gz NUDMWMDIMMECNY-WQVCFCJDSA-N 2 2 367.413 0.117 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570767 1195376486 /nfs/dbraw/zinc/37/64/86/1195376486.db2.gz NUDMWMDIMMECNY-WQVCFCJDSA-N 2 2 367.413 0.117 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275903 1195377133 /nfs/dbraw/zinc/37/71/33/1195377133.db2.gz BMPNHJKIMRIJJG-JCURWCKSSA-N 2 2 371.441 0.085 20 0 FCADLP Cc1c(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)ccc2c[nH+]cn21 ZINC001077275903 1195377137 /nfs/dbraw/zinc/37/71/37/1195377137.db2.gz BMPNHJKIMRIJJG-JCURWCKSSA-N 2 2 371.441 0.085 20 0 FCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572277 1195428451 /nfs/dbraw/zinc/42/84/51/1195428451.db2.gz JLAFZJISDNHNOF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572277 1195428454 /nfs/dbraw/zinc/42/84/54/1195428454.db2.gz JLAFZJISDNHNOF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572277 1195428459 /nfs/dbraw/zinc/42/84/59/1195428459.db2.gz JLAFZJISDNHNOF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1O ZINC001083572277 1195428461 /nfs/dbraw/zinc/42/84/61/1195428461.db2.gz JLAFZJISDNHNOF-SQNIBIBYSA-N 2 2 365.449 0.850 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001219001293 1224283496 /nfs/dbraw/zinc/28/34/96/1224283496.db2.gz WBSACLXCSJNQGQ-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP C[NH+](C)CCCCC(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]21 ZINC001219001293 1224283501 /nfs/dbraw/zinc/28/35/01/1224283501.db2.gz WBSACLXCSJNQGQ-DLBZAZTESA-N 2 2 366.506 0.252 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C[C@@]1(O)CCOC1 ZINC000905233049 1195578828 /nfs/dbraw/zinc/57/88/28/1195578828.db2.gz PYPQEWMVKZEGLT-UFYCRDLUSA-N 2 2 364.486 0.770 20 0 FCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C[C@@]1(O)CCOC1 ZINC000905233049 1195578832 /nfs/dbraw/zinc/57/88/32/1195578832.db2.gz PYPQEWMVKZEGLT-UFYCRDLUSA-N 2 2 364.486 0.770 20 0 FCADLP C[NH+](C)CCn1ccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)n1 ZINC000906462647 1195631786 /nfs/dbraw/zinc/63/17/86/1195631786.db2.gz AHCUEZQHCNKTPZ-UHFFFAOYSA-N 2 2 360.462 0.831 20 0 FCADLP CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602407 1195667223 /nfs/dbraw/zinc/66/72/23/1195667223.db2.gz TXSRUHZCYRYOPZ-CVEARBPZSA-N 2 2 362.474 0.835 20 0 FCADLP CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602407 1195667226 /nfs/dbraw/zinc/66/72/26/1195667226.db2.gz TXSRUHZCYRYOPZ-CVEARBPZSA-N 2 2 362.474 0.835 20 0 FCADLP Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083606705 1195681142 /nfs/dbraw/zinc/68/11/42/1195681142.db2.gz LINUNFNARQEYFM-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083606705 1195681147 /nfs/dbraw/zinc/68/11/47/1195681147.db2.gz LINUNFNARQEYFM-SJORKVTESA-N 2 2 355.398 0.914 20 0 FCADLP O=C(N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607243 1195683687 /nfs/dbraw/zinc/68/36/87/1195683687.db2.gz NDTGYRRKAZJOFS-MOPGFXCFSA-N 2 2 366.421 0.802 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607243 1195683693 /nfs/dbraw/zinc/68/36/93/1195683693.db2.gz NDTGYRRKAZJOFS-MOPGFXCFSA-N 2 2 366.421 0.802 20 0 FCADLP Cc1nc(C)n(CC[N@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)n1 ZINC001083607047 1195683734 /nfs/dbraw/zinc/68/37/34/1195683734.db2.gz CILINZFBQUFSPY-SJORKVTESA-N 2 2 369.429 0.018 20 0 FCADLP Cc1nc(C)n(CC[N@@H+]2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)n1 ZINC001083607047 1195683737 /nfs/dbraw/zinc/68/37/37/1195683737.db2.gz CILINZFBQUFSPY-SJORKVTESA-N 2 2 369.429 0.018 20 0 FCADLP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000907451983 1195696393 /nfs/dbraw/zinc/69/63/93/1195696393.db2.gz GLEDFNNVECGNJN-LJQANCHMSA-N 2 2 367.582 0.935 20 0 FCADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000908119114 1195723650 /nfs/dbraw/zinc/72/36/50/1195723650.db2.gz PCMIUNHJYPUBGD-KRWDZBQOSA-N 2 2 364.490 0.397 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630820 1195802375 /nfs/dbraw/zinc/80/23/75/1195802375.db2.gz OPWWPDNTAWIZBD-KGLIPLIRSA-N 2 2 369.347 0.995 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001083630820 1195802378 /nfs/dbraw/zinc/80/23/78/1195802378.db2.gz OPWWPDNTAWIZBD-KGLIPLIRSA-N 2 2 369.347 0.995 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033485 1224306064 /nfs/dbraw/zinc/30/60/64/1224306064.db2.gz NYNMNDJCSVXZSJ-OKZBNKHCSA-N 2 2 369.506 0.027 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033485 1224306075 /nfs/dbraw/zinc/30/60/75/1224306075.db2.gz NYNMNDJCSVXZSJ-OKZBNKHCSA-N 2 2 369.506 0.027 20 0 FCADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000911069359 1195885689 /nfs/dbraw/zinc/88/56/89/1195885689.db2.gz SPQIWSLUJMSRHM-OAHLLOKOSA-N 2 2 359.474 0.885 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357506 1196320965 /nfs/dbraw/zinc/32/09/65/1196320965.db2.gz FYEGTVUKYZTLNA-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2cnn(C)c2)CC3)O1 ZINC000991357506 1196320967 /nfs/dbraw/zinc/32/09/67/1196320967.db2.gz FYEGTVUKYZTLNA-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357506 1196320971 /nfs/dbraw/zinc/32/09/71/1196320971.db2.gz FYEGTVUKYZTLNA-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cnn(C)c2)CC3)O1 ZINC000991357506 1196320974 /nfs/dbraw/zinc/32/09/74/1196320974.db2.gz FYEGTVUKYZTLNA-VYCZESIESA-N 2 2 361.490 0.752 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1=O ZINC000913448147 1196436903 /nfs/dbraw/zinc/43/69/03/1196436903.db2.gz RDOJNIUTXMDLBV-USXIJHARSA-N 2 2 374.489 0.215 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1=O ZINC000913448147 1196436915 /nfs/dbraw/zinc/43/69/15/1196436915.db2.gz RDOJNIUTXMDLBV-USXIJHARSA-N 2 2 374.489 0.215 20 0 FCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000991479904 1196464216 /nfs/dbraw/zinc/46/42/16/1196464216.db2.gz QUYMXOCMNCQLMX-BZUAXINKSA-N 2 2 359.474 0.723 20 0 FCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000991479904 1196464223 /nfs/dbraw/zinc/46/42/23/1196464223.db2.gz QUYMXOCMNCQLMX-BZUAXINKSA-N 2 2 359.474 0.723 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000592128113 1196539720 /nfs/dbraw/zinc/53/97/20/1196539720.db2.gz MMUHFQJDOJNBLS-BZUAXINKSA-N 2 2 360.458 0.860 20 0 FCADLP COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000592128113 1196539723 /nfs/dbraw/zinc/53/97/23/1196539723.db2.gz MMUHFQJDOJNBLS-BZUAXINKSA-N 2 2 360.458 0.860 20 0 FCADLP CC[C@@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000592564075 1196569233 /nfs/dbraw/zinc/56/92/33/1196569233.db2.gz DZPILUIWNWLTQC-BFYDXBDKSA-N 2 2 361.490 0.902 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000592963294 1196596623 /nfs/dbraw/zinc/59/66/23/1196596623.db2.gz JXUPUXNZKAOIDD-IAGOWNOFSA-N 2 2 361.442 0.251 20 0 FCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000592963294 1196596629 /nfs/dbraw/zinc/59/66/29/1196596629.db2.gz JXUPUXNZKAOIDD-IAGOWNOFSA-N 2 2 361.442 0.251 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958940 1196600384 /nfs/dbraw/zinc/60/03/84/1196600384.db2.gz AGSTZVGYQCHDBK-GJZGRUSLSA-N 3 2 360.506 0.618 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)C2)CC1 ZINC000592958940 1196600387 /nfs/dbraw/zinc/60/03/87/1196600387.db2.gz AGSTZVGYQCHDBK-GJZGRUSLSA-N 3 2 360.506 0.618 20 0 FCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000594104841 1196688062 /nfs/dbraw/zinc/68/80/62/1196688062.db2.gz MOMYWYWOIVHAPJ-INIZCTEOSA-N 2 2 374.489 0.689 20 0 FCADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000594104841 1196688070 /nfs/dbraw/zinc/68/80/70/1196688070.db2.gz MOMYWYWOIVHAPJ-INIZCTEOSA-N 2 2 374.489 0.689 20 0 FCADLP CCn1nnc2c1[C@H](C(=O)Nc1cccc(N3CC[NH2+]CC3)c1)C[NH2+]C2 ZINC001219116865 1224360998 /nfs/dbraw/zinc/36/09/98/1224360998.db2.gz STMJCMZZJIUFCI-OAHLLOKOSA-N 2 2 355.446 0.533 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@@H+]1C ZINC000761080529 1196738837 /nfs/dbraw/zinc/73/88/37/1196738837.db2.gz WRIYYCJBWVFOCV-KRWDZBQOSA-N 2 2 372.513 0.902 20 0 FCADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC[N@H+]1C ZINC000761080529 1196738844 /nfs/dbraw/zinc/73/88/44/1196738844.db2.gz WRIYYCJBWVFOCV-KRWDZBQOSA-N 2 2 372.513 0.902 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001746921826 1197099365 /nfs/dbraw/zinc/09/93/65/1197099365.db2.gz BTTFKKLYVLVXJG-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001746921826 1197099369 /nfs/dbraw/zinc/09/93/69/1197099369.db2.gz BTTFKKLYVLVXJG-BZUAXINKSA-N 2 2 361.490 0.782 20 0 FCADLP COCCOC[N@H+]1CC[C@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001272467028 1197102885 /nfs/dbraw/zinc/10/28/85/1197102885.db2.gz JDGZQCBDVZAIPT-BBWFWOEESA-N 2 2 366.462 0.207 20 0 FCADLP COCCOC[N@@H+]1CC[C@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001272467028 1197102888 /nfs/dbraw/zinc/10/28/88/1197102888.db2.gz JDGZQCBDVZAIPT-BBWFWOEESA-N 2 2 366.462 0.207 20 0 FCADLP O=CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001272472876 1197113545 /nfs/dbraw/zinc/11/35/45/1197113545.db2.gz ITNNEZHWLYZGLO-KRWDZBQOSA-N 2 2 359.474 0.934 20 0 FCADLP O=CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001272472876 1197113556 /nfs/dbraw/zinc/11/35/56/1197113556.db2.gz ITNNEZHWLYZGLO-KRWDZBQOSA-N 2 2 359.474 0.934 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)c1 ZINC000913757764 1197125560 /nfs/dbraw/zinc/12/55/60/1197125560.db2.gz UBLXNNSFSXWDKR-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C2)c1 ZINC000913757764 1197125567 /nfs/dbraw/zinc/12/55/67/1197125567.db2.gz UBLXNNSFSXWDKR-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)C2)c1 ZINC000913757764 1197125573 /nfs/dbraw/zinc/12/55/73/1197125573.db2.gz UBLXNNSFSXWDKR-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)C2)c1 ZINC000913757764 1197125577 /nfs/dbraw/zinc/12/55/77/1197125577.db2.gz UBLXNNSFSXWDKR-NLWGTHIKSA-N 2 2 361.486 0.767 20 0 FCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5[nH+]c[nH]c54)CC3)[C@H]2C1 ZINC001272521983 1197250952 /nfs/dbraw/zinc/25/09/52/1197250952.db2.gz OUZOEPOVJYZFOW-IHRRRGAJSA-N 2 2 357.458 0.498 20 0 FCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCCc5[nH+]c[nH]c54)CC3)[C@H]2C1 ZINC001272521983 1197250960 /nfs/dbraw/zinc/25/09/60/1197250960.db2.gz OUZOEPOVJYZFOW-IHRRRGAJSA-N 2 2 357.458 0.498 20 0 FCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5[nH+]c[nH]c54)CC3)[C@@H]2C1 ZINC001272521984 1197251047 /nfs/dbraw/zinc/25/10/47/1197251047.db2.gz OUZOEPOVJYZFOW-MGPQQGTHSA-N 2 2 357.458 0.498 20 0 FCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCCc5[nH+]c[nH]c54)CC3)[C@@H]2C1 ZINC001272521984 1197251053 /nfs/dbraw/zinc/25/10/53/1197251053.db2.gz OUZOEPOVJYZFOW-MGPQQGTHSA-N 2 2 357.458 0.498 20 0 FCADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001106153317 1197312874 /nfs/dbraw/zinc/31/28/74/1197312874.db2.gz XHAWGHJXGKIFST-BPLDGKMQSA-N 2 2 361.490 0.893 20 0 FCADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001106153317 1197312879 /nfs/dbraw/zinc/31/28/79/1197312879.db2.gz XHAWGHJXGKIFST-BPLDGKMQSA-N 2 2 361.490 0.893 20 0 FCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000992941103 1197620705 /nfs/dbraw/zinc/62/07/05/1197620705.db2.gz LAQXYQNNEZRLJP-MDZRGWNJSA-N 2 2 359.474 0.532 20 0 FCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000992941103 1197620706 /nfs/dbraw/zinc/62/07/06/1197620706.db2.gz LAQXYQNNEZRLJP-MDZRGWNJSA-N 2 2 359.474 0.532 20 0 FCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085244799 1197737204 /nfs/dbraw/zinc/73/72/04/1197737204.db2.gz XWGQMZLYIUAABO-KFWWJZLASA-N 2 2 369.425 0.999 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001085242950 1197740446 /nfs/dbraw/zinc/74/04/46/1197740446.db2.gz NTQOAANOJKSUFS-MWQQHZPXSA-N 2 2 364.494 0.534 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001085242950 1197740463 /nfs/dbraw/zinc/74/04/63/1197740463.db2.gz NTQOAANOJKSUFS-MWQQHZPXSA-N 2 2 364.494 0.534 20 0 FCADLP Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085250215 1197749136 /nfs/dbraw/zinc/74/91/36/1197749136.db2.gz KOCPDZDGNZEIPO-KBRIMQKVSA-N 2 2 357.462 0.791 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106225875 1197750148 /nfs/dbraw/zinc/75/01/48/1197750148.db2.gz KPWPXMMGKMYYTN-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106225875 1197750160 /nfs/dbraw/zinc/75/01/60/1197750160.db2.gz KPWPXMMGKMYYTN-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723533 1197754130 /nfs/dbraw/zinc/75/41/30/1197754130.db2.gz OHEGNSBDJYMKSS-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723533 1197754140 /nfs/dbraw/zinc/75/41/40/1197754140.db2.gz OHEGNSBDJYMKSS-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723533 1197754148 /nfs/dbraw/zinc/75/41/48/1197754148.db2.gz OHEGNSBDJYMKSS-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083723533 1197754158 /nfs/dbraw/zinc/75/41/58/1197754158.db2.gz OHEGNSBDJYMKSS-SQNIBIBYSA-N 2 2 365.449 0.596 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001085274720 1197780378 /nfs/dbraw/zinc/78/03/78/1197780378.db2.gz UKHSXGXBBRSAOZ-ZIAGYGMSSA-N 2 2 361.450 0.858 20 0 FCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993083414 1197805693 /nfs/dbraw/zinc/80/56/93/1197805693.db2.gz DVROBZRIBOFLFZ-MAUKXSAKSA-N 2 2 357.458 0.286 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001085313438 1197811939 /nfs/dbraw/zinc/81/19/39/1197811939.db2.gz XUOYVSGVXFEXNI-ZIAGYGMSSA-N 2 2 361.450 0.696 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001085345990 1197835788 /nfs/dbraw/zinc/83/57/88/1197835788.db2.gz ANPKBBMJDOJAND-FVQBIDKESA-N 2 2 363.462 0.217 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001085373703 1197849803 /nfs/dbraw/zinc/84/98/03/1197849803.db2.gz FBJXSSCNEKZHQJ-HUUCEWRRSA-N 2 2 364.494 0.357 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106340384 1197869680 /nfs/dbraw/zinc/86/96/80/1197869680.db2.gz VOAAROZCTWCFOT-BZUAXINKSA-N 2 2 357.462 0.421 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106343101 1197871677 /nfs/dbraw/zinc/87/16/77/1197871677.db2.gz POTYMUMMFKEFNO-BZUAXINKSA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106344687 1197872796 /nfs/dbraw/zinc/87/27/96/1197872796.db2.gz WFQWCYHAMMREPY-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993155844 1197898904 /nfs/dbraw/zinc/89/89/04/1197898904.db2.gz MCKYWLLGXJTKSD-BEFAXECRSA-N 2 2 371.485 0.745 20 0 FCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085432932 1197898932 /nfs/dbraw/zinc/89/89/32/1197898932.db2.gz XLEHGYDYRDKUKE-RBSFLKMASA-N 2 2 364.494 0.500 20 0 FCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001085432932 1197898934 /nfs/dbraw/zinc/89/89/34/1197898934.db2.gz XLEHGYDYRDKUKE-RBSFLKMASA-N 2 2 364.494 0.500 20 0 FCADLP C[C@@]12CN(C(=O)CCn3cc[nH+]c3)C[C@@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC000993157893 1197900813 /nfs/dbraw/zinc/90/08/13/1197900813.db2.gz UAKFREWOFMQJHK-APWZRJJASA-N 2 2 371.485 0.676 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)c1nnnn1C1CC1 ZINC001085438694 1197905456 /nfs/dbraw/zinc/90/54/56/1197905456.db2.gz AYYWHTUWQUZBHU-BPLDGKMQSA-N 2 2 358.450 0.983 20 0 FCADLP CCCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438731 1197905917 /nfs/dbraw/zinc/90/59/17/1197905917.db2.gz FVGHZAPZARCZTR-HUUCEWRRSA-N 2 2 360.466 0.887 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000993159246 1197908835 /nfs/dbraw/zinc/90/88/35/1197908835.db2.gz WALPOKIUAASJRJ-URLQWDBASA-N 2 2 359.474 0.364 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000993159246 1197908842 /nfs/dbraw/zinc/90/88/42/1197908842.db2.gz WALPOKIUAASJRJ-URLQWDBASA-N 2 2 359.474 0.364 20 0 FCADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000828184929 1197932012 /nfs/dbraw/zinc/93/20/12/1197932012.db2.gz MGYGUJCAYXSZTF-UHFFFAOYSA-N 2 2 358.446 0.506 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001085604066 1197957846 /nfs/dbraw/zinc/95/78/46/1197957846.db2.gz WIPQAQAYZYPPIH-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001085604066 1197957851 /nfs/dbraw/zinc/95/78/51/1197957851.db2.gz WIPQAQAYZYPPIH-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001085604066 1197957855 /nfs/dbraw/zinc/95/78/55/1197957855.db2.gz WIPQAQAYZYPPIH-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N2CCOCC2)CC[NH+]1C ZINC001085604066 1197957857 /nfs/dbraw/zinc/95/78/57/1197957857.db2.gz WIPQAQAYZYPPIH-IXDOHACOSA-N 2 2 366.506 0.108 20 0 FCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001106474461 1197958860 /nfs/dbraw/zinc/95/88/60/1197958860.db2.gz NHBCVARWADNUNQ-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001106474461 1197958863 /nfs/dbraw/zinc/95/88/63/1197958863.db2.gz NHBCVARWADNUNQ-ZACQAIPSSA-N 2 2 368.522 0.308 20 0 FCADLP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)C1CC1 ZINC001106499078 1197977416 /nfs/dbraw/zinc/97/74/16/1197977416.db2.gz YTHGIURJRKXYEN-BFYDXBDKSA-N 2 2 361.490 0.872 20 0 FCADLP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498815 1197980017 /nfs/dbraw/zinc/98/00/17/1197980017.db2.gz QODOTHVJDYVPGN-NVXWUHKLSA-N 2 2 365.478 0.110 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411826 1224457639 /nfs/dbraw/zinc/45/76/39/1224457639.db2.gz ZIYMOOUVWNBMIR-QYZOEREBSA-N 2 2 361.486 0.501 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411826 1224457646 /nfs/dbraw/zinc/45/76/46/1224457646.db2.gz ZIYMOOUVWNBMIR-QYZOEREBSA-N 2 2 361.486 0.501 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411826 1224457652 /nfs/dbraw/zinc/45/76/52/1224457652.db2.gz ZIYMOOUVWNBMIR-QYZOEREBSA-N 2 2 361.486 0.501 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]2O)C1 ZINC001219411826 1224457657 /nfs/dbraw/zinc/45/76/57/1224457657.db2.gz ZIYMOOUVWNBMIR-QYZOEREBSA-N 2 2 361.486 0.501 20 0 FCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086088547 1198153237 /nfs/dbraw/zinc/15/32/37/1198153237.db2.gz CLOMGOFKFSTESG-NQNKBUKLSA-N 2 2 371.485 0.527 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120341 1198177552 /nfs/dbraw/zinc/17/75/52/1198177552.db2.gz VVRXJJQXTLMUMD-ARILJUKYSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1noc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086120341 1198177561 /nfs/dbraw/zinc/17/75/61/1198177561.db2.gz VVRXJJQXTLMUMD-ARILJUKYSA-N 2 2 365.478 0.897 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120443 1198182133 /nfs/dbraw/zinc/18/21/33/1198182133.db2.gz ZJZXXCBXZSUXJF-QKGCVVFFSA-N 2 2 364.494 0.632 20 0 FCADLP CCc1nnc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)[nH]1 ZINC001086120443 1198182140 /nfs/dbraw/zinc/18/21/40/1198182140.db2.gz ZJZXXCBXZSUXJF-QKGCVVFFSA-N 2 2 364.494 0.632 20 0 FCADLP COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744440370 1198315084 /nfs/dbraw/zinc/31/50/84/1198315084.db2.gz MXSXRYQBPFBDQZ-GOSISDBHSA-N 2 2 368.478 0.478 20 0 FCADLP O=C(Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219453695 1224475614 /nfs/dbraw/zinc/47/56/14/1224475614.db2.gz NNGRWCULOQVGMW-CABCVRRESA-N 3 2 366.412 0.810 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001086400324 1198355394 /nfs/dbraw/zinc/35/53/94/1198355394.db2.gz BUASMPJYUYNXOO-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)O1 ZINC001086400324 1198355407 /nfs/dbraw/zinc/35/54/07/1198355407.db2.gz BUASMPJYUYNXOO-QHSBEEBCSA-N 2 2 363.462 0.651 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400454 1198356631 /nfs/dbraw/zinc/35/66/31/1198356631.db2.gz HSJHSRASSRWIKO-KBUPBQIOSA-N 2 2 365.478 0.726 20 0 FCADLP CCCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)n1 ZINC001086400454 1198356642 /nfs/dbraw/zinc/35/66/42/1198356642.db2.gz HSJHSRASSRWIKO-KBUPBQIOSA-N 2 2 365.478 0.726 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501497 1224489119 /nfs/dbraw/zinc/48/91/19/1224489119.db2.gz VMUNTCZVPMRZMJ-NEYQJUBMSA-N 3 2 371.441 0.039 20 0 FCADLP COc1cc2c(cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498349 1224488409 /nfs/dbraw/zinc/48/84/09/1224488409.db2.gz WTMJCOMIAZWEOK-XIKOKIGWSA-N 3 2 370.413 0.110 20 0 FCADLP COc1cc2c(cc1NC(=O)C[NH2+]C1CC[NH2+]CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500952 1224489525 /nfs/dbraw/zinc/48/95/25/1224489525.db2.gz LVNMPWHAVLMGEV-LJQANCHMSA-N 3 2 373.457 0.159 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219564263 1224511283 /nfs/dbraw/zinc/51/12/83/1224511283.db2.gz VUFZCHMTTFELDF-IRXDYDNUSA-N 2 2 355.442 0.479 20 0 FCADLP N[C@]1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC001219567692 1224512735 /nfs/dbraw/zinc/51/27/35/1224512735.db2.gz PPPUTWBPHMIQHX-LJQANCHMSA-N 2 2 362.474 0.095 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001086482543 1198955737 /nfs/dbraw/zinc/95/57/37/1198955737.db2.gz KSCCAXKXZRAEPJ-QHSBEEBCSA-N 2 2 370.461 0.530 20 0 FCADLP COc1cc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2cc1OC(C)=O ZINC001169067694 1199044611 /nfs/dbraw/zinc/04/46/11/1199044611.db2.gz WDWBQYVHFBSYFB-LLVKDONJSA-N 2 2 357.370 0.612 20 0 FCADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CC1C[NH+](C)C1 ZINC001169175995 1199055194 /nfs/dbraw/zinc/05/51/94/1199055194.db2.gz MUQMJIPHOLLQRI-ZDUSSCGKSA-N 2 2 362.478 0.144 20 0 FCADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CO1 ZINC001169410367 1199064826 /nfs/dbraw/zinc/06/48/26/1199064826.db2.gz MUBYECLWHMGFGO-IAGOWNOFSA-N 2 2 367.490 0.759 20 0 FCADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CO1 ZINC001169410366 1199065272 /nfs/dbraw/zinc/06/52/72/1199065272.db2.gz MUBYECLWHMGFGO-DLBZAZTESA-N 2 2 367.490 0.759 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001109218509 1200113208 /nfs/dbraw/zinc/11/32/08/1200113208.db2.gz LFKALGFEIGCFOI-UGUYLWEFSA-N 2 2 358.446 0.321 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001109218509 1200113214 /nfs/dbraw/zinc/11/32/14/1200113214.db2.gz LFKALGFEIGCFOI-UGUYLWEFSA-N 2 2 358.446 0.321 20 0 FCADLP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400870 1200250440 /nfs/dbraw/zinc/25/04/40/1200250440.db2.gz ZLTQMPBYDMXFIQ-VSZNYVQBSA-N 2 2 363.506 0.961 20 0 FCADLP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400870 1200250450 /nfs/dbraw/zinc/25/04/50/1200250450.db2.gz ZLTQMPBYDMXFIQ-VSZNYVQBSA-N 2 2 363.506 0.961 20 0 FCADLP COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400869 1200250614 /nfs/dbraw/zinc/25/06/14/1200250614.db2.gz ZLTQMPBYDMXFIQ-OWSLCNJRSA-N 2 2 363.506 0.961 20 0 FCADLP COCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400869 1200250618 /nfs/dbraw/zinc/25/06/18/1200250618.db2.gz ZLTQMPBYDMXFIQ-OWSLCNJRSA-N 2 2 363.506 0.961 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)C2 ZINC001109462316 1200301969 /nfs/dbraw/zinc/30/19/69/1200301969.db2.gz JZRYPQNJMUCHED-DACLVMHWSA-N 2 2 362.474 0.553 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)C2 ZINC001109462316 1200301976 /nfs/dbraw/zinc/30/19/76/1200301976.db2.gz JZRYPQNJMUCHED-DACLVMHWSA-N 2 2 362.474 0.553 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@@H+]3CCOCCO)CC2 ZINC001109462316 1200301982 /nfs/dbraw/zinc/30/19/82/1200301982.db2.gz JZRYPQNJMUCHED-DACLVMHWSA-N 2 2 362.474 0.553 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@H]3CC[C@@H]1[N@H+]3CCOCCO)CC2 ZINC001109462316 1200301986 /nfs/dbraw/zinc/30/19/86/1200301986.db2.gz JZRYPQNJMUCHED-DACLVMHWSA-N 2 2 362.474 0.553 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001109527477 1200364286 /nfs/dbraw/zinc/36/42/86/1200364286.db2.gz VRAGNBVROVRTSM-PMPSAXMXSA-N 2 2 362.478 0.621 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001109527477 1200364290 /nfs/dbraw/zinc/36/42/90/1200364290.db2.gz VRAGNBVROVRTSM-PMPSAXMXSA-N 2 2 362.478 0.621 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109529106 1200366278 /nfs/dbraw/zinc/36/62/78/1200366278.db2.gz WZPOVVMLQOGTBF-HFTRVMKXSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109529106 1200366289 /nfs/dbraw/zinc/36/62/89/1200366289.db2.gz WZPOVVMLQOGTBF-HFTRVMKXSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109581137 1200401044 /nfs/dbraw/zinc/40/10/44/1200401044.db2.gz KWYLJINHXHCSCM-ILXRZTDVSA-N 2 2 359.430 0.144 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109581137 1200401048 /nfs/dbraw/zinc/40/10/48/1200401048.db2.gz KWYLJINHXHCSCM-ILXRZTDVSA-N 2 2 359.430 0.144 20 0 FCADLP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581041 1200401673 /nfs/dbraw/zinc/40/16/73/1200401673.db2.gz GZDJZOYVCCAIJL-IKGGRYGDSA-N 2 2 363.462 0.147 20 0 FCADLP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581041 1200401678 /nfs/dbraw/zinc/40/16/78/1200401678.db2.gz GZDJZOYVCCAIJL-IKGGRYGDSA-N 2 2 363.462 0.147 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652656 1200445315 /nfs/dbraw/zinc/44/53/15/1200445315.db2.gz DAJRMLNWBFHSHO-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109652656 1200445320 /nfs/dbraw/zinc/44/53/20/1200445320.db2.gz DAJRMLNWBFHSHO-ILXRZTDVSA-N 2 2 367.494 0.286 20 0 FCADLP COCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671480 1200458431 /nfs/dbraw/zinc/45/84/31/1200458431.db2.gz KWRWNLMROAUKQD-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP COCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671480 1200458441 /nfs/dbraw/zinc/45/84/41/1200458441.db2.gz KWRWNLMROAUKQD-IKGGRYGDSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724091 1200481103 /nfs/dbraw/zinc/48/11/03/1200481103.db2.gz AQSSGDQULYIFAG-MQYQWHSLSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109724091 1200481104 /nfs/dbraw/zinc/48/11/04/1200481104.db2.gz AQSSGDQULYIFAG-MQYQWHSLSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109724091 1200481105 /nfs/dbraw/zinc/48/11/05/1200481105.db2.gz AQSSGDQULYIFAG-MQYQWHSLSA-N 2 2 365.478 0.023 20 0 FCADLP C[C@H](C(=O)NC(N)=O)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109724091 1200481108 /nfs/dbraw/zinc/48/11/08/1200481108.db2.gz AQSSGDQULYIFAG-MQYQWHSLSA-N 2 2 365.478 0.023 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001109846439 1200558107 /nfs/dbraw/zinc/55/81/07/1200558107.db2.gz KFCFVGVKYKPIHM-LTIDMASMSA-N 2 2 359.474 0.924 20 0 FCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C)C1=O ZINC001109846439 1200558112 /nfs/dbraw/zinc/55/81/12/1200558112.db2.gz KFCFVGVKYKPIHM-LTIDMASMSA-N 2 2 359.474 0.924 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109865484 1200575943 /nfs/dbraw/zinc/57/59/43/1200575943.db2.gz SESVAJCEBYRWJC-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001109865484 1200575950 /nfs/dbraw/zinc/57/59/50/1200575950.db2.gz SESVAJCEBYRWJC-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC1 ZINC001109878287 1200586677 /nfs/dbraw/zinc/58/66/77/1200586677.db2.gz PYDOGYGDQRRBQC-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC1 ZINC001109878287 1200586683 /nfs/dbraw/zinc/58/66/83/1200586683.db2.gz PYDOGYGDQRRBQC-SQNIBIBYSA-N 2 2 362.518 0.966 20 0 FCADLP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219800716 1224621177 /nfs/dbraw/zinc/62/11/77/1224621177.db2.gz UYLPEQQLURIFMY-QYZOEREBSA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H](O)C2)cc1 ZINC001219800716 1224621182 /nfs/dbraw/zinc/62/11/82/1224621182.db2.gz UYLPEQQLURIFMY-QYZOEREBSA-N 2 2 371.485 0.483 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001109928104 1200615502 /nfs/dbraw/zinc/61/55/02/1200615502.db2.gz HBKJAZIXSKWXJX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001109928104 1200615509 /nfs/dbraw/zinc/61/55/09/1200615509.db2.gz HBKJAZIXSKWXJX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109928104 1200615518 /nfs/dbraw/zinc/61/55/18/1200615518.db2.gz HBKJAZIXSKWXJX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109928104 1200615526 /nfs/dbraw/zinc/61/55/26/1200615526.db2.gz HBKJAZIXSKWXJX-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800684 1224621941 /nfs/dbraw/zinc/62/19/41/1224621941.db2.gz SEMXPEUZRXKKST-QYZOEREBSA-N 2 2 371.485 0.483 20 0 FCADLP Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800684 1224621943 /nfs/dbraw/zinc/62/19/43/1224621943.db2.gz SEMXPEUZRXKKST-QYZOEREBSA-N 2 2 371.485 0.483 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccc(-n2cc[nH+]c2)cn1 ZINC001109969974 1200649977 /nfs/dbraw/zinc/64/99/77/1200649977.db2.gz IXQKNFWHLDGDRM-JLSDUUJJSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1ccc(-n2cc[nH+]c2)cn1 ZINC001109969974 1200649988 /nfs/dbraw/zinc/64/99/88/1200649988.db2.gz IXQKNFWHLDGDRM-JLSDUUJJSA-N 2 2 371.441 0.611 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001109976032 1200657427 /nfs/dbraw/zinc/65/74/27/1200657427.db2.gz OIEKCRGFBSGPHR-LMSBXDPUSA-N 2 2 374.485 0.959 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001109976032 1200657431 /nfs/dbraw/zinc/65/74/31/1200657431.db2.gz OIEKCRGFBSGPHR-LMSBXDPUSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)C1 ZINC001109976032 1200657434 /nfs/dbraw/zinc/65/74/34/1200657434.db2.gz OIEKCRGFBSGPHR-LMSBXDPUSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)C1 ZINC001109976032 1200657435 /nfs/dbraw/zinc/65/74/35/1200657435.db2.gz OIEKCRGFBSGPHR-LMSBXDPUSA-N 2 2 374.485 0.959 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001109975908 1200658601 /nfs/dbraw/zinc/65/86/01/1200658601.db2.gz JJDOEIIOCNAHQI-BGTYHANMSA-N 2 2 362.474 0.880 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1 ZINC001109975908 1200658614 /nfs/dbraw/zinc/65/86/14/1200658614.db2.gz JJDOEIIOCNAHQI-BGTYHANMSA-N 2 2 362.474 0.880 20 0 FCADLP COc1ncccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977540 1200659690 /nfs/dbraw/zinc/65/96/90/1200659690.db2.gz NRKJVFJHPIQLCK-IKGGRYGDSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977540 1200659698 /nfs/dbraw/zinc/65/96/98/1200659698.db2.gz NRKJVFJHPIQLCK-IKGGRYGDSA-N 2 2 362.474 0.890 20 0 FCADLP COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977514 1200660340 /nfs/dbraw/zinc/66/03/40/1200660340.db2.gz MGSHMXIXHPENBK-PMPSAXMXSA-N 2 2 363.462 0.285 20 0 FCADLP COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)n1 ZINC001109977514 1200660347 /nfs/dbraw/zinc/66/03/47/1200660347.db2.gz MGSHMXIXHPENBK-PMPSAXMXSA-N 2 2 363.462 0.285 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980685 1200664497 /nfs/dbraw/zinc/66/44/97/1200664497.db2.gz WKIGTTCUTNVUNI-NCOADZHNSA-N 2 2 368.522 0.591 20 0 FCADLP CCC[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980685 1200664504 /nfs/dbraw/zinc/66/45/04/1200664504.db2.gz WKIGTTCUTNVUNI-NCOADZHNSA-N 2 2 368.522 0.591 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981303 1200665736 /nfs/dbraw/zinc/66/57/36/1200665736.db2.gz OGDBQGHGYRNRHK-NCOADZHNSA-N 2 2 362.518 0.964 20 0 FCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981303 1200665741 /nfs/dbraw/zinc/66/57/41/1200665741.db2.gz OGDBQGHGYRNRHK-NCOADZHNSA-N 2 2 362.518 0.964 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001219804550 1224624480 /nfs/dbraw/zinc/62/44/80/1224624480.db2.gz ZMVDUSSEQDZWJJ-IKGGRYGDSA-N 2 2 362.474 0.739 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCOCC2CCC2)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001219804550 1224624482 /nfs/dbraw/zinc/62/44/82/1224624482.db2.gz ZMVDUSSEQDZWJJ-IKGGRYGDSA-N 2 2 362.474 0.739 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110016526 1200705333 /nfs/dbraw/zinc/70/53/33/1200705333.db2.gz SKRQYGLZEIATQD-PMPSAXMXSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110016526 1200705338 /nfs/dbraw/zinc/70/53/38/1200705338.db2.gz SKRQYGLZEIATQD-PMPSAXMXSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110016526 1200705345 /nfs/dbraw/zinc/70/53/45/1200705345.db2.gz SKRQYGLZEIATQD-PMPSAXMXSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001110016526 1200705367 /nfs/dbraw/zinc/70/53/67/1200705367.db2.gz SKRQYGLZEIATQD-PMPSAXMXSA-N 2 2 372.473 0.586 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001110016407 1200705795 /nfs/dbraw/zinc/70/57/95/1200705795.db2.gz MVBRWLPFKJIERW-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001110016407 1200705801 /nfs/dbraw/zinc/70/58/01/1200705801.db2.gz MVBRWLPFKJIERW-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110016407 1200705805 /nfs/dbraw/zinc/70/58/05/1200705805.db2.gz MVBRWLPFKJIERW-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110016407 1200705816 /nfs/dbraw/zinc/70/58/16/1200705816.db2.gz MVBRWLPFKJIERW-ILXRZTDVSA-N 2 2 365.478 0.038 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001110016282 1200706330 /nfs/dbraw/zinc/70/63/30/1200706330.db2.gz GYRKVVRGCQREAM-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC[C@H]1CCCO1 ZINC001110016282 1200706335 /nfs/dbraw/zinc/70/63/35/1200706335.db2.gz GYRKVVRGCQREAM-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110016282 1200706343 /nfs/dbraw/zinc/70/63/43/1200706343.db2.gz GYRKVVRGCQREAM-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110016282 1200706351 /nfs/dbraw/zinc/70/63/51/1200706351.db2.gz GYRKVVRGCQREAM-NCOADZHNSA-N 2 2 366.506 0.345 20 0 FCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034683 1200717812 /nfs/dbraw/zinc/71/78/12/1200717812.db2.gz JLXCBJYVEFFCBH-OHFALNGGSA-N 2 2 366.462 0.006 20 0 FCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001110034683 1200717814 /nfs/dbraw/zinc/71/78/14/1200717814.db2.gz JLXCBJYVEFFCBH-OHFALNGGSA-N 2 2 366.462 0.006 20 0 FCADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2)C(=O)N(C)C ZINC001112563093 1200795826 /nfs/dbraw/zinc/79/58/26/1200795826.db2.gz FHDSGLSWLJPNGH-DOXZYTNZSA-N 2 2 361.490 0.658 20 0 FCADLP CCCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563365 1200796698 /nfs/dbraw/zinc/79/66/98/1200796698.db2.gz RUPSJSBIRNXAPP-KXBFYZLASA-N 2 2 361.490 0.707 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccncc3)C2)CC1 ZINC000786786453 1200851745 /nfs/dbraw/zinc/85/17/45/1200851745.db2.gz NFAWSJVMYLTNBM-MRXNPFEDSA-N 2 2 359.474 0.025 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCc3ccncc3)C2)CC1 ZINC000786786453 1200851746 /nfs/dbraw/zinc/85/17/46/1200851746.db2.gz NFAWSJVMYLTNBM-MRXNPFEDSA-N 2 2 359.474 0.025 20 0 FCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830061 1224642954 /nfs/dbraw/zinc/64/29/54/1224642954.db2.gz MKLVLTYMQJHLQP-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830061 1224642976 /nfs/dbraw/zinc/64/29/76/1224642976.db2.gz MKLVLTYMQJHLQP-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830061 1224642979 /nfs/dbraw/zinc/64/29/79/1224642979.db2.gz MKLVLTYMQJHLQP-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP CCC(C)(C)NC(=O)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830061 1224642984 /nfs/dbraw/zinc/64/29/84/1224642984.db2.gz MKLVLTYMQJHLQP-XHSDSOJGSA-N 2 2 368.522 0.327 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000788794749 1200974538 /nfs/dbraw/zinc/97/45/38/1200974538.db2.gz IFFXOGUPWXVURM-GJZGRUSLSA-N 2 2 359.474 0.727 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000788794749 1200974543 /nfs/dbraw/zinc/97/45/43/1200974543.db2.gz IFFXOGUPWXVURM-GJZGRUSLSA-N 2 2 359.474 0.727 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599275 1201146163 /nfs/dbraw/zinc/14/61/63/1201146163.db2.gz GHHWKKDIGWVLES-RYQLBKOJSA-N 2 2 369.469 0.910 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599275 1201146167 /nfs/dbraw/zinc/14/61/67/1201146167.db2.gz GHHWKKDIGWVLES-RYQLBKOJSA-N 2 2 369.469 0.910 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086599202 1201146172 /nfs/dbraw/zinc/14/61/72/1201146172.db2.gz BCIIQXCEMBTGNL-BHYGNILZSA-N 2 2 355.442 0.650 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1c1ccccc1 ZINC001086599202 1201146174 /nfs/dbraw/zinc/14/61/74/1201146174.db2.gz BCIIQXCEMBTGNL-BHYGNILZSA-N 2 2 355.442 0.650 20 0 FCADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001219853332 1224655449 /nfs/dbraw/zinc/65/54/49/1224655449.db2.gz PZXLHYJBRCSUPO-ZACQAIPSSA-N 2 2 360.462 0.528 20 0 FCADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)n1cc[nH+]c1 ZINC001219853332 1224655453 /nfs/dbraw/zinc/65/54/53/1224655453.db2.gz PZXLHYJBRCSUPO-ZACQAIPSSA-N 2 2 360.462 0.528 20 0 FCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000793804113 1201266809 /nfs/dbraw/zinc/26/68/09/1201266809.db2.gz CEZIYWCLJFFZGK-UHFFFAOYSA-N 2 2 370.457 0.746 20 0 FCADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000793815338 1201269786 /nfs/dbraw/zinc/26/97/86/1201269786.db2.gz TWFSXDCMJNDTKS-INIZCTEOSA-N 2 2 361.490 0.974 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129460025 1201325636 /nfs/dbraw/zinc/32/56/36/1201325636.db2.gz GLARQIFVWMOWMZ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129460025 1201325641 /nfs/dbraw/zinc/32/56/41/1201325641.db2.gz GLARQIFVWMOWMZ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129460025 1201325646 /nfs/dbraw/zinc/32/56/46/1201325646.db2.gz GLARQIFVWMOWMZ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n3ccnn3)C2)o1 ZINC001129460025 1201325650 /nfs/dbraw/zinc/32/56/50/1201325650.db2.gz GLARQIFVWMOWMZ-CVEARBPZSA-N 2 2 361.450 0.456 20 0 FCADLP CN1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001086623719 1201351236 /nfs/dbraw/zinc/35/12/36/1201351236.db2.gz UGQCVFDWMKEALD-IPMKNSEASA-N 2 2 370.497 0.897 20 0 FCADLP CN1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001086623719 1201351239 /nfs/dbraw/zinc/35/12/39/1201351239.db2.gz UGQCVFDWMKEALD-IPMKNSEASA-N 2 2 370.497 0.897 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001219877771 1224667946 /nfs/dbraw/zinc/66/79/46/1224667946.db2.gz QPEHHDUERQXGFB-SJORKVTESA-N 2 2 362.474 0.101 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001219877771 1224667952 /nfs/dbraw/zinc/66/79/52/1224667952.db2.gz QPEHHDUERQXGFB-SJORKVTESA-N 2 2 362.474 0.101 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1n1ccnn1 ZINC001129855596 1201405651 /nfs/dbraw/zinc/40/56/51/1201405651.db2.gz OOAXUEJEVGEAJJ-CVEARBPZSA-N 2 2 369.429 0.536 20 0 FCADLP COCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001129910366 1201423275 /nfs/dbraw/zinc/42/32/75/1201423275.db2.gz PUEUOMAENUXYDN-SJORKVTESA-N 2 2 369.429 0.846 20 0 FCADLP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001129910535 1201423450 /nfs/dbraw/zinc/42/34/50/1201423450.db2.gz XLQWGWZAMUYYSN-CABCVRRESA-N 2 2 361.450 0.206 20 0 FCADLP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001129919480 1201441706 /nfs/dbraw/zinc/44/17/06/1201441706.db2.gz XTWQFPRIKKLGFP-XHSDSOJGSA-N 2 2 357.462 0.879 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)on1 ZINC001219910783 1224678108 /nfs/dbraw/zinc/67/81/08/1224678108.db2.gz RURKWSIRHMCDPZ-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCN(C)c3cc[nH+]cc3)[C@@H](O)C2)on1 ZINC001219910783 1224678112 /nfs/dbraw/zinc/67/81/12/1224678112.db2.gz RURKWSIRHMCDPZ-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001219908430 1224678384 /nfs/dbraw/zinc/67/83/84/1224678384.db2.gz FWJGTRYQNPZWAF-QGTPRVQTSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)C2 ZINC001219908430 1224678389 /nfs/dbraw/zinc/67/83/89/1224678389.db2.gz FWJGTRYQNPZWAF-QGTPRVQTSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001219908430 1224678391 /nfs/dbraw/zinc/67/83/91/1224678391.db2.gz FWJGTRYQNPZWAF-QGTPRVQTSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCOC(C)C)C[C@@H]1O)CC2 ZINC001219908430 1224678399 /nfs/dbraw/zinc/67/83/99/1224678399.db2.gz FWJGTRYQNPZWAF-QGTPRVQTSA-N 2 2 364.490 0.799 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910775 1224678513 /nfs/dbraw/zinc/67/85/13/1224678513.db2.gz RQQLMKSHTCYKTF-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910775 1224678521 /nfs/dbraw/zinc/67/85/21/1224678521.db2.gz RQQLMKSHTCYKTF-SJORKVTESA-N 2 2 359.430 0.566 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001130249154 1201568055 /nfs/dbraw/zinc/56/80/55/1201568055.db2.gz MPUXXYYDHYPVPZ-GJZGRUSLSA-N 2 2 364.494 0.779 20 0 FCADLP CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001130249154 1201568064 /nfs/dbraw/zinc/56/80/64/1201568064.db2.gz MPUXXYYDHYPVPZ-GJZGRUSLSA-N 2 2 364.494 0.779 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]1 ZINC001219965554 1224704516 /nfs/dbraw/zinc/70/45/16/1224704516.db2.gz RNFHGRSGRXWMJH-KCXAZCMYSA-N 2 2 359.426 0.356 20 0 FCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[NH2+]1 ZINC001219965555 1224705060 /nfs/dbraw/zinc/70/50/60/1224705060.db2.gz RNFHGRSGRXWMJH-UHOFOFEASA-N 2 2 359.426 0.356 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001130574454 1202721226 /nfs/dbraw/zinc/72/12/26/1202721226.db2.gz VYBHABKKVBLJKM-OFQRWUPVSA-N 2 2 360.462 0.695 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130632508 1202739726 /nfs/dbraw/zinc/73/97/26/1202739726.db2.gz CRMYZKCMXKLFDO-GOEBONIOSA-N 2 2 360.462 0.053 20 0 FCADLP C[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001130682956 1202756034 /nfs/dbraw/zinc/75/60/34/1202756034.db2.gz QVUGGEPHZDWHKV-YQQAZPJKSA-N 2 2 360.462 0.534 20 0 FCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001130712896 1202759481 /nfs/dbraw/zinc/75/94/81/1202759481.db2.gz QYAZOYFWCZPBMG-DOTOQJQBSA-N 2 2 360.462 0.317 20 0 FCADLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001130719381 1202766101 /nfs/dbraw/zinc/76/61/01/1202766101.db2.gz MUVTXISQJAMFJE-GOEBONIOSA-N 2 2 361.450 0.229 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001130719381 1202766106 /nfs/dbraw/zinc/76/61/06/1202766106.db2.gz MUVTXISQJAMFJE-GOEBONIOSA-N 2 2 361.450 0.229 20 0 FCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1)OC ZINC001130739313 1202771103 /nfs/dbraw/zinc/77/11/03/1202771103.db2.gz AAUZZTBOXAMKAS-HLLBOEOZSA-N 2 2 360.462 0.626 20 0 FCADLP CCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678880 1202812973 /nfs/dbraw/zinc/81/29/73/1202812973.db2.gz ZJFRTDQYOQZUIT-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678880 1202812974 /nfs/dbraw/zinc/81/29/74/1202812974.db2.gz ZJFRTDQYOQZUIT-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678880 1202812975 /nfs/dbraw/zinc/81/29/75/1202812975.db2.gz ZJFRTDQYOQZUIT-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP CCCCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678880 1202812978 /nfs/dbraw/zinc/81/29/78/1202812978.db2.gz ZJFRTDQYOQZUIT-FCEWJHQRSA-N 2 2 366.506 0.204 20 0 FCADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078709 1224748279 /nfs/dbraw/zinc/74/82/79/1224748279.db2.gz ZEGZQMFSRYXUDZ-UAGQMJEPSA-N 2 2 361.490 0.963 20 0 FCADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078709 1224748284 /nfs/dbraw/zinc/74/82/84/1224748284.db2.gz ZEGZQMFSRYXUDZ-UAGQMJEPSA-N 2 2 361.490 0.963 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062038 1202854252 /nfs/dbraw/zinc/85/42/52/1202854252.db2.gz SNVAKXJFULIDBD-UKRRQHHQSA-N 2 2 361.450 0.147 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103092 1202872436 /nfs/dbraw/zinc/87/24/36/1202872436.db2.gz DDACRLIEVARPBD-XGUBFFRZSA-N 2 2 365.478 0.038 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103092 1202872438 /nfs/dbraw/zinc/87/24/38/1202872438.db2.gz DDACRLIEVARPBD-XGUBFFRZSA-N 2 2 365.478 0.038 20 0 FCADLP CCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)n1 ZINC001086665251 1202888097 /nfs/dbraw/zinc/88/80/97/1202888097.db2.gz YHTCZRSWXBCIAU-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP CCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001086665251 1202888099 /nfs/dbraw/zinc/88/80/99/1202888099.db2.gz YHTCZRSWXBCIAU-RRFJBIMHSA-N 2 2 365.478 0.727 20 0 FCADLP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001131585481 1202918470 /nfs/dbraw/zinc/91/84/70/1202918470.db2.gz XGPWYNKTDQDVNV-KDOFPFPSSA-N 2 2 363.462 0.074 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCc2ccccc21 ZINC001134045563 1203010754 /nfs/dbraw/zinc/01/07/54/1203010754.db2.gz LPTUVZKYCWQIMT-HZPDHXFCSA-N 2 2 367.453 0.819 20 0 FCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)N1CCC(C)CC1 ZINC001134045484 1203010769 /nfs/dbraw/zinc/01/07/69/1203010769.db2.gz IGFPECBRLHDZGE-ARFHVFGLSA-N 2 2 361.490 0.876 20 0 FCADLP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086736148 1203062063 /nfs/dbraw/zinc/06/20/63/1203062063.db2.gz DMVVGJWUCUNWGZ-BFHYXJOUSA-N 2 2 358.450 0.044 20 0 FCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001086736310 1203062637 /nfs/dbraw/zinc/06/26/37/1203062637.db2.gz LGONXOLVEVPMGE-HRCADAONSA-N 2 2 357.462 0.612 20 0 FCADLP Cc1nnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)[nH]1 ZINC001086737321 1203063308 /nfs/dbraw/zinc/06/33/08/1203063308.db2.gz FTJGZHLYWRTQKD-RRFJBIMHSA-N 2 2 357.462 0.947 20 0 FCADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@H](c2ccccc2)C1 ZINC000817918510 1203126315 /nfs/dbraw/zinc/12/63/15/1203126315.db2.gz KLHBQIHGWDVLOU-PXNSSMCTSA-N 2 2 356.470 0.856 20 0 FCADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[C@H](c2ccccc2)C1 ZINC000817918510 1203126317 /nfs/dbraw/zinc/12/63/17/1203126317.db2.gz KLHBQIHGWDVLOU-PXNSSMCTSA-N 2 2 356.470 0.856 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1)C(N)=O ZINC001086843999 1203203084 /nfs/dbraw/zinc/20/30/84/1203203084.db2.gz KRANDDVXBSEQEK-HZSPNIEDSA-N 2 2 356.430 0.629 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)n2C ZINC001136492010 1203215365 /nfs/dbraw/zinc/21/53/65/1203215365.db2.gz NSHCRIYHVJFGHH-OLZOCXBDSA-N 2 2 358.446 0.627 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)n2C ZINC001136492010 1203215368 /nfs/dbraw/zinc/21/53/68/1203215368.db2.gz NSHCRIYHVJFGHH-OLZOCXBDSA-N 2 2 358.446 0.627 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)n2C ZINC001136492009 1203215428 /nfs/dbraw/zinc/21/54/28/1203215428.db2.gz NSHCRIYHVJFGHH-CHWSQXEVSA-N 2 2 358.446 0.627 20 0 FCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)n2C ZINC001136492009 1203215430 /nfs/dbraw/zinc/21/54/30/1203215430.db2.gz NSHCRIYHVJFGHH-CHWSQXEVSA-N 2 2 358.446 0.627 20 0 FCADLP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000822977409 1203243038 /nfs/dbraw/zinc/24/30/38/1203243038.db2.gz SMUALNURYPHAKA-JSGCOSHPSA-N 2 2 356.430 0.985 20 0 FCADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C[C@H]4COCC[NH2+]4)n3)cn2)CC1 ZINC000822973089 1203243405 /nfs/dbraw/zinc/24/34/05/1203243405.db2.gz QJGPNGMZHLTZEJ-AWEZNQCLSA-N 2 2 372.429 0.050 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119151 1224777669 /nfs/dbraw/zinc/77/76/69/1224777669.db2.gz CFKDUIBSMHVOHM-OAGGEKHMSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119151 1224777678 /nfs/dbraw/zinc/77/76/78/1224777678.db2.gz CFKDUIBSMHVOHM-OAGGEKHMSA-N 2 2 368.522 0.277 20 0 FCADLP O=C([C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663820 1203319446 /nfs/dbraw/zinc/31/94/46/1203319446.db2.gz ICFBGXHJZSYRCS-WOJBJXKFSA-N 2 2 373.497 0.945 20 0 FCADLP O=C([C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC001143663820 1203319449 /nfs/dbraw/zinc/31/94/49/1203319449.db2.gz ICFBGXHJZSYRCS-WOJBJXKFSA-N 2 2 373.497 0.945 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2[NH2+][C@@H](C)C(N)=O)cc1 ZINC001090881226 1203329153 /nfs/dbraw/zinc/32/91/53/1203329153.db2.gz ARTUCAQMIZDHNG-AFAVFJNCSA-N 2 2 371.441 0.419 20 0 FCADLP COc1ccc([C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2[NH2+]CCO)cc1 ZINC001090884515 1203331470 /nfs/dbraw/zinc/33/14/70/1203331470.db2.gz VFQRAUDARDSADF-FUHWJXTLSA-N 2 2 358.442 0.846 20 0 FCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220186350 1224797536 /nfs/dbraw/zinc/79/75/36/1224797536.db2.gz OKKHXRPUFOPZMX-XTQGRXLLSA-N 2 2 364.396 0.457 20 0 FCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220197408 1224799028 /nfs/dbraw/zinc/79/90/28/1224799028.db2.gz BMJQTEFZIBHDFS-UTKZUKDTSA-N 2 2 370.497 0.693 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203827 1224802482 /nfs/dbraw/zinc/80/24/82/1224802482.db2.gz RJTFDVZZTQWCND-OAGGEKHMSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203827 1224802483 /nfs/dbraw/zinc/80/24/83/1224802483.db2.gz RJTFDVZZTQWCND-OAGGEKHMSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203827 1224802486 /nfs/dbraw/zinc/80/24/86/1224802486.db2.gz RJTFDVZZTQWCND-OAGGEKHMSA-N 2 2 368.522 0.184 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]2O)C1 ZINC001220203827 1224802489 /nfs/dbraw/zinc/80/24/89/1224802489.db2.gz RJTFDVZZTQWCND-OAGGEKHMSA-N 2 2 368.522 0.184 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216532 1224805329 /nfs/dbraw/zinc/80/53/29/1224805329.db2.gz NCICWBHIYPUADN-SQNIBIBYSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216532 1224805336 /nfs/dbraw/zinc/80/53/36/1224805336.db2.gz NCICWBHIYPUADN-SQNIBIBYSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216532 1224805337 /nfs/dbraw/zinc/80/53/37/1224805337.db2.gz NCICWBHIYPUADN-SQNIBIBYSA-N 2 2 369.506 0.074 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)C1 ZINC001220216532 1224805339 /nfs/dbraw/zinc/80/53/39/1224805339.db2.gz NCICWBHIYPUADN-SQNIBIBYSA-N 2 2 369.506 0.074 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001220229089 1224810378 /nfs/dbraw/zinc/81/03/78/1224810378.db2.gz MGBHJLGQFLCZAS-CVEARBPZSA-N 2 2 362.474 0.483 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)n1 ZINC001220229089 1224810379 /nfs/dbraw/zinc/81/03/79/1224810379.db2.gz MGBHJLGQFLCZAS-CVEARBPZSA-N 2 2 362.474 0.483 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220233611 1224811677 /nfs/dbraw/zinc/81/16/77/1224811677.db2.gz CKCLDJPPPGJARN-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1O ZINC001220233611 1224811678 /nfs/dbraw/zinc/81/16/78/1224811678.db2.gz CKCLDJPPPGJARN-ZACQAIPSSA-N 2 2 371.428 0.501 20 0 FCADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234007 1224811692 /nfs/dbraw/zinc/81/16/92/1224811692.db2.gz PQWKIURHKTXKOX-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234007 1224811695 /nfs/dbraw/zinc/81/16/95/1224811695.db2.gz PQWKIURHKTXKOX-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234081 1224811843 /nfs/dbraw/zinc/81/18/43/1224811843.db2.gz SXGBYLBVVMHNNW-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234081 1224811845 /nfs/dbraw/zinc/81/18/45/1224811845.db2.gz SXGBYLBVVMHNNW-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269076 1224817212 /nfs/dbraw/zinc/81/72/12/1224817212.db2.gz OYWOYCCOGABJJT-XYPHTWIQSA-N 2 2 368.522 0.183 20 0 FCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269076 1224817213 /nfs/dbraw/zinc/81/72/13/1224817213.db2.gz OYWOYCCOGABJJT-XYPHTWIQSA-N 2 2 368.522 0.183 20 0 FCADLP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291334 1224821489 /nfs/dbraw/zinc/82/14/89/1224821489.db2.gz RDWLZLAQXINNLL-HZPDHXFCSA-N 2 2 360.414 0.280 20 0 FCADLP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291334 1224821492 /nfs/dbraw/zinc/82/14/92/1224821492.db2.gz RDWLZLAQXINNLL-HZPDHXFCSA-N 2 2 360.414 0.280 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220292128 1224821813 /nfs/dbraw/zinc/82/18/13/1224821813.db2.gz ZZPJDLPECPLXRL-IDHHARJASA-N 2 2 355.442 0.155 20 0 FCADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220292128 1224821814 /nfs/dbraw/zinc/82/18/14/1224821814.db2.gz ZZPJDLPECPLXRL-IDHHARJASA-N 2 2 355.442 0.155 20 0 FCADLP COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220296459 1224822765 /nfs/dbraw/zinc/82/27/65/1224822765.db2.gz PYMWKOIYKNTJGF-UAOJZALGSA-N 2 2 370.453 0.710 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342781 1224834603 /nfs/dbraw/zinc/83/46/03/1224834603.db2.gz MWKFYCVABANXMP-ZACQAIPSSA-N 2 2 364.490 0.872 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@@H]1O)[NH+](CC)CC ZINC001220342781 1224834607 /nfs/dbraw/zinc/83/46/07/1224834607.db2.gz MWKFYCVABANXMP-ZACQAIPSSA-N 2 2 364.490 0.872 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC001144943008 1204665152 /nfs/dbraw/zinc/66/51/52/1204665152.db2.gz DSZVLNWUNNIQBE-IRXDYDNUSA-N 2 2 374.441 0.589 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC001144944442 1204665258 /nfs/dbraw/zinc/66/52/58/1204665258.db2.gz NKWUAVCBJPQHRA-HOTGVXAUSA-N 2 2 360.414 0.199 20 0 FCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846769052 1204665382 /nfs/dbraw/zinc/66/53/82/1204665382.db2.gz GWJHZXMUYQOYSQ-SFHVURJKSA-N 2 2 370.494 0.064 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835265 1204669170 /nfs/dbraw/zinc/66/91/70/1204669170.db2.gz JWNIRULVALHTTM-AWEZNQCLSA-N 2 2 363.462 0.947 20 0 FCADLP CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000846835265 1204669171 /nfs/dbraw/zinc/66/91/71/1204669171.db2.gz JWNIRULVALHTTM-AWEZNQCLSA-N 2 2 363.462 0.947 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565281 1204725641 /nfs/dbraw/zinc/72/56/41/1204725641.db2.gz JPXDLMUWASGRQH-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[NH+]2C[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565281 1204725645 /nfs/dbraw/zinc/72/56/45/1204725645.db2.gz JPXDLMUWASGRQH-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565281 1204725648 /nfs/dbraw/zinc/72/56/48/1204725648.db2.gz JPXDLMUWASGRQH-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@]3(C)C2)o1 ZINC001091565281 1204725652 /nfs/dbraw/zinc/72/56/52/1204725652.db2.gz JPXDLMUWASGRQH-AYBZRNKSSA-N 2 2 362.474 0.902 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565722 1204727094 /nfs/dbraw/zinc/72/70/94/1204727094.db2.gz WMXLCMMMPVQUDW-AYBZRNKSSA-N 2 2 362.449 0.832 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565722 1204727100 /nfs/dbraw/zinc/72/71/00/1204727100.db2.gz WMXLCMMMPVQUDW-AYBZRNKSSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565722 1204727105 /nfs/dbraw/zinc/72/71/05/1204727105.db2.gz WMXLCMMMPVQUDW-AYBZRNKSSA-N 2 2 362.449 0.832 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cncc(F)c4)C[C@@]3(C)C2)C1 ZINC001091565722 1204727111 /nfs/dbraw/zinc/72/71/11/1204727111.db2.gz WMXLCMMMPVQUDW-AYBZRNKSSA-N 2 2 362.449 0.832 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774195 1204807080 /nfs/dbraw/zinc/80/70/80/1204807080.db2.gz TZTACMFTPYBXHV-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147774195 1204807082 /nfs/dbraw/zinc/80/70/82/1204807082.db2.gz TZTACMFTPYBXHV-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774195 1204807084 /nfs/dbraw/zinc/80/70/84/1204807084.db2.gz TZTACMFTPYBXHV-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC[C@H](C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147774195 1204807086 /nfs/dbraw/zinc/80/70/86/1204807086.db2.gz TZTACMFTPYBXHV-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147967872 1204815481 /nfs/dbraw/zinc/81/54/81/1204815481.db2.gz DMFFPBYPZJNDIO-KRWDZBQOSA-N 2 2 360.458 0.649 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC001147967872 1204815484 /nfs/dbraw/zinc/81/54/84/1204815484.db2.gz DMFFPBYPZJNDIO-KRWDZBQOSA-N 2 2 360.458 0.649 20 0 FCADLP 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Cn1cc([C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2[NH2+]Cc2cccnc2)cn1 ZINC001087003698 1204891821 /nfs/dbraw/zinc/89/18/21/1204891821.db2.gz KOCSZVFKOBCNGZ-DLBZAZTESA-N 2 2 365.441 0.865 20 0 FCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087010764 1204898145 /nfs/dbraw/zinc/89/81/45/1204898145.db2.gz PXMFDCYJCOLDDN-RCCFBDPRSA-N 2 2 361.490 0.435 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2c2cnn(C)c2)on1 ZINC001087012041 1204898411 /nfs/dbraw/zinc/89/84/11/1204898411.db2.gz BXPDQAKYDCZNCC-DLBZAZTESA-N 2 2 369.429 0.697 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087060547 1204946262 /nfs/dbraw/zinc/94/62/62/1204946262.db2.gz MBVIQRPRGDNDQI-DNNBLBMLSA-N 2 2 373.461 0.295 20 0 FCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001087060547 1204946269 /nfs/dbraw/zinc/94/62/69/1204946269.db2.gz MBVIQRPRGDNDQI-DNNBLBMLSA-N 2 2 373.461 0.295 20 0 FCADLP 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CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001087096958 1205004339 /nfs/dbraw/zinc/00/43/39/1205004339.db2.gz MSPYPIHVAAPWCZ-LZLYRXPVSA-N 2 2 364.490 0.842 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795470 1205014874 /nfs/dbraw/zinc/01/48/74/1205014874.db2.gz YZRSYJSXCNCNNY-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795470 1205014879 /nfs/dbraw/zinc/01/48/79/1205014879.db2.gz YZRSYJSXCNCNNY-CLCXKQKWSA-N 2 2 359.474 0.314 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@H+](CCn1cncn1)C2 ZINC001091800134 1205017761 /nfs/dbraw/zinc/01/77/61/1205017761.db2.gz KFXCTWDLXXGEGL-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP C[C@]12CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC001091800134 1205017762 /nfs/dbraw/zinc/01/77/62/1205017762.db2.gz KFXCTWDLXXGEGL-MDZRGWNJSA-N 2 2 369.473 0.518 20 0 FCADLP 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Cn1nnnc1C[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071284 1205134961 /nfs/dbraw/zinc/13/49/61/1205134961.db2.gz OPFKYLWRHNSBJT-QAPCUYQASA-N 2 2 361.494 0.222 20 0 FCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092131102 1205169344 /nfs/dbraw/zinc/16/93/44/1205169344.db2.gz OHUYRSQVAODRKY-VCBZYWHSSA-N 2 2 359.474 0.742 20 0 FCADLP CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1=O ZINC001092131102 1205169347 /nfs/dbraw/zinc/16/93/47/1205169347.db2.gz OHUYRSQVAODRKY-VCBZYWHSSA-N 2 2 359.474 0.742 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441519 1224873036 /nfs/dbraw/zinc/87/30/36/1224873036.db2.gz FJTZDGKCVMGUSK-QGTPRVQTSA-N 2 2 358.442 0.688 20 0 FCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441519 1224873041 /nfs/dbraw/zinc/87/30/41/1224873041.db2.gz FJTZDGKCVMGUSK-QGTPRVQTSA-N 2 2 358.442 0.688 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H](O)C2)cn1 ZINC001220442102 1224873190 /nfs/dbraw/zinc/87/31/90/1224873190.db2.gz XPAQFKMFSCMJNK-UAGQMJEPSA-N 2 2 360.462 0.455 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)[C@@H](O)C2)cn1 ZINC001220442102 1224873193 /nfs/dbraw/zinc/87/31/93/1224873193.db2.gz XPAQFKMFSCMJNK-UAGQMJEPSA-N 2 2 360.462 0.455 20 0 FCADLP Cn1cc(CC[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)cn1 ZINC001092199201 1205195809 /nfs/dbraw/zinc/19/58/09/1205195809.db2.gz HDFIRUZNJRYXCC-APWZRJJASA-N 2 2 356.474 0.719 20 0 FCADLP Cn1cc(CC[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@]3(C)C2)cn1 ZINC001092199201 1205195812 /nfs/dbraw/zinc/19/58/12/1205195812.db2.gz HDFIRUZNJRYXCC-APWZRJJASA-N 2 2 356.474 0.719 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092242161 1205210266 /nfs/dbraw/zinc/21/02/66/1205210266.db2.gz FWVFZEVISUUPTM-KUHUBIRLSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@]2(C)C1 ZINC001092242161 1205210269 /nfs/dbraw/zinc/21/02/69/1205210269.db2.gz FWVFZEVISUUPTM-KUHUBIRLSA-N 2 2 359.474 0.412 20 0 FCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272985 1205220901 /nfs/dbraw/zinc/22/09/01/1205220901.db2.gz KOAVWRYDBFJHAO-IYOUNJFTSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@]3(C)C2)n1 ZINC001092272985 1205220903 /nfs/dbraw/zinc/22/09/03/1205220903.db2.gz KOAVWRYDBFJHAO-IYOUNJFTSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272985 1205220906 /nfs/dbraw/zinc/22/09/06/1205220906.db2.gz KOAVWRYDBFJHAO-IYOUNJFTSA-N 2 2 362.478 0.368 20 0 FCADLP CN(C)c1noc(C[NH+]2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@]3(C)C2)n1 ZINC001092272985 1205220909 /nfs/dbraw/zinc/22/09/09/1205220909.db2.gz KOAVWRYDBFJHAO-IYOUNJFTSA-N 2 2 362.478 0.368 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@H+](Cc3ccon3)C[C@@]2(C)C1 ZINC001092276620 1205223464 /nfs/dbraw/zinc/22/34/64/1205223464.db2.gz WYDYSNLLPRSQPH-FCEWJHQRSA-N 2 2 362.474 0.923 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@@H+](Cc3ccon3)C[C@@]2(C)C1 ZINC001092276620 1205223470 /nfs/dbraw/zinc/22/34/70/1205223470.db2.gz WYDYSNLLPRSQPH-FCEWJHQRSA-N 2 2 362.474 0.923 20 0 FCADLP CCn1nncc1C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276559 1205223625 /nfs/dbraw/zinc/22/36/25/1205223625.db2.gz UIAYWTBVLYCDII-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP CCn1nncc1C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276559 1205223630 /nfs/dbraw/zinc/22/36/30/1205223630.db2.gz UIAYWTBVLYCDII-QAPCUYQASA-N 2 2 357.462 0.783 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001092278616 1205224376 /nfs/dbraw/zinc/22/43/76/1205224376.db2.gz UHXJOKOZGFZVHX-MRRJBJDNSA-N 2 2 358.450 0.257 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnnn3C)C[C@@]2(C)C1 ZINC001092278616 1205224382 /nfs/dbraw/zinc/22/43/82/1205224382.db2.gz UHXJOKOZGFZVHX-MRRJBJDNSA-N 2 2 358.450 0.257 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001092435888 1205279406 /nfs/dbraw/zinc/27/94/06/1205279406.db2.gz OIUUMZGCFXEOAH-ZIAGYGMSSA-N 2 2 359.478 0.894 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504444 1205296871 /nfs/dbraw/zinc/29/68/71/1205296871.db2.gz OJGILBLVEUCRAX-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504444 1205296877 /nfs/dbraw/zinc/29/68/77/1205296877.db2.gz OJGILBLVEUCRAX-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504444 1205296882 /nfs/dbraw/zinc/29/68/82/1205296882.db2.gz OJGILBLVEUCRAX-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP C[C@@H]1C[NH+](Cc2nnc3n2CCOC3)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504444 1205296886 /nfs/dbraw/zinc/29/68/86/1205296886.db2.gz OJGILBLVEUCRAX-RBSFLKMASA-N 2 2 362.478 0.087 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857995 1205937427 /nfs/dbraw/zinc/93/74/27/1205937427.db2.gz RTUXDIXFYJTLSB-GDBMZVCRSA-N 2 2 355.442 0.916 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857995 1205937429 /nfs/dbraw/zinc/93/74/29/1205937429.db2.gz RTUXDIXFYJTLSB-GDBMZVCRSA-N 2 2 355.442 0.916 20 0 FCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910939 1205940852 /nfs/dbraw/zinc/94/08/52/1205940852.db2.gz LHIICVQGHRILFT-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910939 1205940858 /nfs/dbraw/zinc/94/08/58/1205940858.db2.gz LHIICVQGHRILFT-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910939 1205940864 /nfs/dbraw/zinc/94/08/64/1205940864.db2.gz LHIICVQGHRILFT-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3nncn3C)C[C@H]2C)C1 ZINC001092910939 1205940869 /nfs/dbraw/zinc/94/08/69/1205940869.db2.gz LHIICVQGHRILFT-OAGGEKHMSA-N 2 2 364.494 0.108 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102490 1206017827 /nfs/dbraw/zinc/01/78/27/1206017827.db2.gz GYPXQDQRKWQEAB-ZIAGYGMSSA-N 2 2 356.430 0.311 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102490 1206017832 /nfs/dbraw/zinc/01/78/32/1206017832.db2.gz GYPXQDQRKWQEAB-ZIAGYGMSSA-N 2 2 356.430 0.311 20 0 FCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224938 1206063049 /nfs/dbraw/zinc/06/30/49/1206063049.db2.gz HABMZKFPGLXKCJ-KFWWJZLASA-N 2 2 364.494 0.167 20 0 FCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224938 1206063052 /nfs/dbraw/zinc/06/30/52/1206063052.db2.gz HABMZKFPGLXKCJ-KFWWJZLASA-N 2 2 364.494 0.167 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224938 1206063055 /nfs/dbraw/zinc/06/30/55/1206063055.db2.gz HABMZKFPGLXKCJ-KFWWJZLASA-N 2 2 364.494 0.167 20 0 FCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001093224938 1206063056 /nfs/dbraw/zinc/06/30/56/1206063056.db2.gz HABMZKFPGLXKCJ-KFWWJZLASA-N 2 2 364.494 0.167 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC[NH2+][C@H]1CCCNC1=O ZINC001093287319 1206072950 /nfs/dbraw/zinc/07/29/50/1206072950.db2.gz DHASCBLVVXBQFH-INMHGKMJSA-N 2 2 361.490 0.706 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001093288626 1206073333 /nfs/dbraw/zinc/07/33/33/1206073333.db2.gz KVLMAZLREXOARN-BNOWGMLFSA-N 2 2 361.446 0.140 20 0 FCADLP CO[C@H](C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545592 1206091640 /nfs/dbraw/zinc/09/16/40/1206091640.db2.gz MADBUVRDVZPSDC-IIDMSEBBSA-N 2 2 369.506 0.432 20 0 FCADLP CO[C@H](C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001093545592 1206091641 /nfs/dbraw/zinc/09/16/41/1206091641.db2.gz MADBUVRDVZPSDC-IIDMSEBBSA-N 2 2 369.506 0.432 20 0 FCADLP CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690681 1206101086 /nfs/dbraw/zinc/10/10/86/1206101086.db2.gz BUAYVIKJVCCSGT-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)n1 ZINC001093690681 1206101090 /nfs/dbraw/zinc/10/10/90/1206101090.db2.gz BUAYVIKJVCCSGT-RBSFLKMASA-N 2 2 365.478 0.537 20 0 FCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH2+]Cc4nnnn4C)[C@H](C)C3)ccn12 ZINC001093770223 1206113028 /nfs/dbraw/zinc/11/30/28/1206113028.db2.gz DBPICKMALMCCBW-IUODEOHRSA-N 2 2 368.445 0.664 20 0 FCADLP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C)[nH]1 ZINC001093870842 1206138222 /nfs/dbraw/zinc/13/82/22/1206138222.db2.gz BLFAVNZOLKSYHH-VHDGCEQUSA-N 2 2 357.462 0.756 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C[NH2+]Cc1nncn1C ZINC001093871735 1206138793 /nfs/dbraw/zinc/13/87/93/1206138793.db2.gz TYUQSUXECPHBHX-RBSFLKMASA-N 2 2 357.462 0.458 20 0 FCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001093857160 1206146015 /nfs/dbraw/zinc/14/60/15/1206146015.db2.gz RSSCRDLGUCRXAD-FVQBIDKESA-N 2 2 360.458 0.548 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001094034697 1206173151 /nfs/dbraw/zinc/17/31/51/1206173151.db2.gz SMDXPQMNFIVPQQ-NFAWXSAZSA-N 2 2 357.462 0.842 20 0 FCADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C[NH2+][C@H]4CCNC4=O)[C@H](C)C3)[nH+]c12 ZINC001094110988 1206185957 /nfs/dbraw/zinc/18/59/57/1206185957.db2.gz TWNCOCNZNIBMSL-INMHGKMJSA-N 2 2 369.469 0.758 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ncnn1CCF ZINC001094165901 1206197677 /nfs/dbraw/zinc/19/76/77/1206197677.db2.gz DWHVGXQJFPFKFJ-ZIAGYGMSSA-N 2 2 363.441 0.408 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C)c1nnnn1C ZINC001094167194 1206198353 /nfs/dbraw/zinc/19/83/53/1206198353.db2.gz YNRPKTTWRFYRTP-FRRDWIJNSA-N 2 2 360.466 0.656 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001094196198 1206206283 /nfs/dbraw/zinc/20/62/83/1206206283.db2.gz AXTREAVJJJSGSF-INMHGKMJSA-N 2 2 371.489 0.816 20 0 FCADLP CCn1ncnc1C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001094196594 1206206425 /nfs/dbraw/zinc/20/64/25/1206206425.db2.gz NHNFBMQACMYBAY-HUUCEWRRSA-N 2 2 359.478 0.848 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094244201 1206209959 /nfs/dbraw/zinc/20/99/59/1206209959.db2.gz IVKQBFXCDPRCKE-KYJSFNMBSA-N 2 2 371.489 0.697 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001094244202 1206210063 /nfs/dbraw/zinc/21/00/63/1206210063.db2.gz IVKQBFXCDPRCKE-QGPMSJSTSA-N 2 2 371.489 0.697 20 0 FCADLP CC(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299668 1206215846 /nfs/dbraw/zinc/21/58/46/1206215846.db2.gz KDCQTELUOLUXTK-RHSMWYFYSA-N 2 2 364.494 0.516 20 0 FCADLP CC(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC001094299668 1206215847 /nfs/dbraw/zinc/21/58/47/1206215847.db2.gz KDCQTELUOLUXTK-RHSMWYFYSA-N 2 2 364.494 0.516 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@H+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384744 1206222560 /nfs/dbraw/zinc/22/25/60/1206222560.db2.gz HRBVNPCPXWVSOZ-HDMKZQKVSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nnc(C[NH+]2CC[C@@]3(CNC(=O)[C@@H]4C[N@@H+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384744 1206222561 /nfs/dbraw/zinc/22/25/61/1206222561.db2.gz HRBVNPCPXWVSOZ-HDMKZQKVSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384744 1206222562 /nfs/dbraw/zinc/22/25/62/1206222562.db2.gz HRBVNPCPXWVSOZ-HDMKZQKVSA-N 2 2 363.462 0.569 20 0 FCADLP Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)[C@@H]4C[NH+](C)CCO4)CCC[C@@H]23)o1 ZINC001094384744 1206222563 /nfs/dbraw/zinc/22/25/63/1206222563.db2.gz HRBVNPCPXWVSOZ-HDMKZQKVSA-N 2 2 363.462 0.569 20 0 FCADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568356 1224937289 /nfs/dbraw/zinc/93/72/89/1224937289.db2.gz ITPFRQNNZKRESZ-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568356 1224937301 /nfs/dbraw/zinc/93/73/01/1224937301.db2.gz ITPFRQNNZKRESZ-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568356 1224937310 /nfs/dbraw/zinc/93/73/10/1224937310.db2.gz ITPFRQNNZKRESZ-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001220568356 1224937316 /nfs/dbraw/zinc/93/73/16/1224937316.db2.gz ITPFRQNNZKRESZ-UAGQMJEPSA-N 2 2 368.522 0.327 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160587 1206242997 /nfs/dbraw/zinc/24/29/97/1206242997.db2.gz WGGSFRCAJVUQIE-KBXIAJHMSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160587 1206242999 /nfs/dbraw/zinc/24/29/99/1206242999.db2.gz WGGSFRCAJVUQIE-KBXIAJHMSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110160587 1206243000 /nfs/dbraw/zinc/24/30/00/1206243000.db2.gz WGGSFRCAJVUQIE-KBXIAJHMSA-N 2 2 367.494 0.282 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160587 1206243004 /nfs/dbraw/zinc/24/30/04/1206243004.db2.gz WGGSFRCAJVUQIE-KBXIAJHMSA-N 2 2 367.494 0.282 20 0 FCADLP COc1ccc(CN2CC[C@@H]([N@@H+]3CCO[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026848 1206265334 /nfs/dbraw/zinc/26/53/34/1206265334.db2.gz QAQZEABGBHCIJZ-WBVHZDCISA-N 2 2 363.458 0.854 20 0 FCADLP COc1ccc(CN2CC[C@@H]([N@H+]3CCO[C@@H](C[NH3+])C3)CC2=O)c(OC)c1 ZINC001173026848 1206265339 /nfs/dbraw/zinc/26/53/39/1206265339.db2.gz QAQZEABGBHCIJZ-WBVHZDCISA-N 2 2 363.458 0.854 20 0 FCADLP CC[N@@H+]1CC[C@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001173365140 1206270453 /nfs/dbraw/zinc/27/04/53/1206270453.db2.gz YQWJMYKIELLRSK-HNNXBMFYSA-N 2 2 360.506 0.260 20 0 FCADLP CC[N@H+]1CC[C@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001173365140 1206270454 /nfs/dbraw/zinc/27/04/54/1206270454.db2.gz YQWJMYKIELLRSK-HNNXBMFYSA-N 2 2 360.506 0.260 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220573057 1224941906 /nfs/dbraw/zinc/94/19/06/1224941906.db2.gz OYAKDNWAHVAHAG-RYRKJORJSA-N 2 2 370.538 0.383 20 0 FCADLP CCOC(=O)C1(NC(=O)c2cc3n(n2)CCC[N@H+](C)C3)CC[NH+](C)CC1 ZINC001175104613 1206299292 /nfs/dbraw/zinc/29/92/92/1206299292.db2.gz LQTUYOYCXPNRGC-UHFFFAOYSA-N 2 2 363.462 0.476 20 0 FCADLP CCOC(=O)C1(NC(=O)c2cc3n(n2)CCC[N@@H+](C)C3)CC[NH+](C)CC1 ZINC001175104613 1206299296 /nfs/dbraw/zinc/29/92/96/1206299296.db2.gz LQTUYOYCXPNRGC-UHFFFAOYSA-N 2 2 363.462 0.476 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220573057 1224941910 /nfs/dbraw/zinc/94/19/10/1224941910.db2.gz OYAKDNWAHVAHAG-RYRKJORJSA-N 2 2 370.538 0.383 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCNC(=O)C(F)(F)F ZINC001110194971 1206313797 /nfs/dbraw/zinc/31/37/97/1206313797.db2.gz KGGYIRUUVDNMLE-AGIUHOORSA-N 2 2 373.379 0.673 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCNC(=O)C(F)(F)F ZINC001110194971 1206313801 /nfs/dbraw/zinc/31/38/01/1206313801.db2.gz KGGYIRUUVDNMLE-AGIUHOORSA-N 2 2 373.379 0.673 20 0 FCADLP Cc1ccc(N(C(=O)Cc2c[nH]c[nH+]2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001176828601 1206321837 /nfs/dbraw/zinc/32/18/37/1206321837.db2.gz BOMXLVASKIMWNA-YJBOKZPZSA-N 2 2 356.430 0.995 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001176874061 1206323919 /nfs/dbraw/zinc/32/39/19/1206323919.db2.gz MIEIPBXDTAYCPM-UHFFFAOYSA-N 2 2 360.418 0.138 20 0 FCADLP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001176883793 1206324705 /nfs/dbraw/zinc/32/47/05/1206324705.db2.gz NRBJOOHBWYQAIA-UHFFFAOYSA-N 2 2 355.442 0.910 20 0 FCADLP C[N@H+](C1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991094 1206369620 /nfs/dbraw/zinc/36/96/20/1206369620.db2.gz JHVUJQIRBGJKBQ-HKUYNNGSSA-N 2 2 359.470 0.819 20 0 FCADLP C[N@@H+](C1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991094 1206369621 /nfs/dbraw/zinc/36/96/21/1206369621.db2.gz JHVUJQIRBGJKBQ-HKUYNNGSSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+](C1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991094 1206369624 /nfs/dbraw/zinc/36/96/24/1206369624.db2.gz JHVUJQIRBGJKBQ-HKUYNNGSSA-N 2 2 359.470 0.819 20 0 FCADLP C[NH+](C1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1)[C@H]1CCOC1 ZINC001178991094 1206369628 /nfs/dbraw/zinc/36/96/28/1206369628.db2.gz JHVUJQIRBGJKBQ-HKUYNNGSSA-N 2 2 359.470 0.819 20 0 FCADLP O=C(NCCCCCC[NH2+]CCCO)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001179097595 1206374649 /nfs/dbraw/zinc/37/46/49/1206374649.db2.gz NMMHNMMJGCTBLK-MSOLQXFVSA-N 2 2 371.522 0.515 20 0 FCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC001180351935 1206393406 /nfs/dbraw/zinc/39/34/06/1206393406.db2.gz DHSNWTQHGZPKLN-INIZCTEOSA-N 2 2 365.478 0.037 20 0 FCADLP CO[C@@H](C[NH+]1CCN(C(=O)C2(O)CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001182033651 1206419255 /nfs/dbraw/zinc/41/92/55/1206419255.db2.gz NSEZCEZMLOFWDN-SFHVURJKSA-N 2 2 361.486 0.975 20 0 FCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001185251278 1206477094 /nfs/dbraw/zinc/47/70/94/1206477094.db2.gz MKPFLTUELLGTNK-MRXNPFEDSA-N 2 2 369.473 0.160 20 0 FCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001185251278 1206477096 /nfs/dbraw/zinc/47/70/96/1206477096.db2.gz MKPFLTUELLGTNK-MRXNPFEDSA-N 2 2 369.473 0.160 20 0 FCADLP C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001186044448 1206492021 /nfs/dbraw/zinc/49/20/21/1206492021.db2.gz HBOCRECOGMEUEX-YCPHGPKFSA-N 2 2 372.473 0.698 20 0 FCADLP C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC001186044448 1206492024 /nfs/dbraw/zinc/49/20/24/1206492024.db2.gz HBOCRECOGMEUEX-YCPHGPKFSA-N 2 2 372.473 0.698 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714951 1207387002 /nfs/dbraw/zinc/38/70/02/1207387002.db2.gz WLOWDXAZDBXPBZ-LSDHHAIUSA-N 2 2 362.478 0.583 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714951 1207387008 /nfs/dbraw/zinc/38/70/08/1207387008.db2.gz WLOWDXAZDBXPBZ-LSDHHAIUSA-N 2 2 362.478 0.583 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001188106919 1207422959 /nfs/dbraw/zinc/42/29/59/1207422959.db2.gz COPIJZZRCKQGTG-YESZJQIVSA-N 2 2 370.513 0.971 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001188106919 1207422961 /nfs/dbraw/zinc/42/29/61/1207422961.db2.gz COPIJZZRCKQGTG-YESZJQIVSA-N 2 2 370.513 0.971 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205829 1207434861 /nfs/dbraw/zinc/43/48/61/1207434861.db2.gz ZBBDCRAHDCJUDW-ARFHVFGLSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001188205829 1207434863 /nfs/dbraw/zinc/43/48/63/1207434863.db2.gz ZBBDCRAHDCJUDW-ARFHVFGLSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724114 1207477248 /nfs/dbraw/zinc/47/72/48/1207477248.db2.gz MMBVSPAALGABED-IXDOHACOSA-N 2 2 361.490 0.967 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188724114 1207477252 /nfs/dbraw/zinc/47/72/52/1207477252.db2.gz MMBVSPAALGABED-IXDOHACOSA-N 2 2 361.490 0.967 20 0 FCADLP O=C(NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1)C1CC1 ZINC001189092813 1207505538 /nfs/dbraw/zinc/50/55/38/1207505538.db2.gz GHGWOGZUZHNQLX-ZMSDIMECSA-N 2 2 371.485 0.889 20 0 FCADLP O=C(NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1)C1CC1 ZINC001189092813 1207505542 /nfs/dbraw/zinc/50/55/42/1207505542.db2.gz GHGWOGZUZHNQLX-ZMSDIMECSA-N 2 2 371.485 0.889 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424637 1207548021 /nfs/dbraw/zinc/54/80/21/1207548021.db2.gz BSDUGINNCUSEEI-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189424637 1207548025 /nfs/dbraw/zinc/54/80/25/1207548025.db2.gz BSDUGINNCUSEEI-DLBZAZTESA-N 2 2 366.506 0.110 20 0 FCADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](O)C1 ZINC001220673391 1225005581 /nfs/dbraw/zinc/00/55/81/1225005581.db2.gz VPGBICBPTWOCGO-QGTPRVQTSA-N 2 2 358.442 0.808 20 0 FCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](O)C1 ZINC001220673391 1225005588 /nfs/dbraw/zinc/00/55/88/1225005588.db2.gz VPGBICBPTWOCGO-QGTPRVQTSA-N 2 2 358.442 0.808 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001189786661 1207601194 /nfs/dbraw/zinc/60/11/94/1207601194.db2.gz HYYHPKZRGTZOHE-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCCO[C@H]3CCOC3)C[C@H]21 ZINC001189786661 1207601196 /nfs/dbraw/zinc/60/11/96/1207601196.db2.gz HYYHPKZRGTZOHE-RYQLBKOJSA-N 2 2 362.474 0.691 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189788093 1207602010 /nfs/dbraw/zinc/60/20/10/1207602010.db2.gz SRIWMQPTXWTDGX-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189788093 1207602014 /nfs/dbraw/zinc/60/20/14/1207602014.db2.gz SRIWMQPTXWTDGX-HLLBOEOZSA-N 2 2 361.490 0.800 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001190177860 1207658280 /nfs/dbraw/zinc/65/82/80/1207658280.db2.gz PDVSMEXDPDEKIP-DLBZAZTESA-N 2 2 359.474 0.593 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)CC3CC3)C[C@H]21 ZINC001190177860 1207658284 /nfs/dbraw/zinc/65/82/84/1207658284.db2.gz PDVSMEXDPDEKIP-DLBZAZTESA-N 2 2 359.474 0.593 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263678 1207670329 /nfs/dbraw/zinc/67/03/29/1207670329.db2.gz YLEWOENRGMOUOI-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263678 1207670330 /nfs/dbraw/zinc/67/03/30/1207670330.db2.gz YLEWOENRGMOUOI-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263678 1207670334 /nfs/dbraw/zinc/67/03/34/1207670334.db2.gz YLEWOENRGMOUOI-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]32)C1 ZINC001190263678 1207670337 /nfs/dbraw/zinc/67/03/37/1207670337.db2.gz YLEWOENRGMOUOI-ARFHVFGLSA-N 2 2 366.506 0.155 20 0 FCADLP CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190486798 1207688079 /nfs/dbraw/zinc/68/80/79/1207688079.db2.gz LOMNEXXZLMZUQX-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001190486798 1207688083 /nfs/dbraw/zinc/68/80/83/1207688083.db2.gz LOMNEXXZLMZUQX-YESZJQIVSA-N 2 2 359.474 0.817 20 0 FCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC001220687010 1225013774 /nfs/dbraw/zinc/01/37/74/1225013774.db2.gz CBGKIRKJJGLNHZ-NVXWUHKLSA-N 2 2 355.442 0.835 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689228 1225016761 /nfs/dbraw/zinc/01/67/61/1225016761.db2.gz APEHJXMTFBCNLK-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689228 1225016771 /nfs/dbraw/zinc/01/67/71/1225016771.db2.gz APEHJXMTFBCNLK-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689228 1225016783 /nfs/dbraw/zinc/01/67/83/1225016783.db2.gz APEHJXMTFBCNLK-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1O ZINC001220689228 1225016792 /nfs/dbraw/zinc/01/67/92/1225016792.db2.gz APEHJXMTFBCNLK-OIISXLGYSA-N 2 2 368.522 0.327 20 0 FCADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132074 1207860887 /nfs/dbraw/zinc/86/08/87/1207860887.db2.gz YBHXJSJAKMSMPE-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001193132074 1207860889 /nfs/dbraw/zinc/86/08/89/1207860889.db2.gz YBHXJSJAKMSMPE-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001193132074 1207860890 /nfs/dbraw/zinc/86/08/90/1207860890.db2.gz YBHXJSJAKMSMPE-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP CCOCCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001193132074 1207860892 /nfs/dbraw/zinc/86/08/92/1207860892.db2.gz YBHXJSJAKMSMPE-IXDOHACOSA-N 2 2 365.478 0.378 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193737579 1207886065 /nfs/dbraw/zinc/88/60/65/1207886065.db2.gz BQYBYYKDCZDGMG-BRWVUGGUSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193737579 1207886066 /nfs/dbraw/zinc/88/60/66/1207886066.db2.gz BQYBYYKDCZDGMG-BRWVUGGUSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193737579 1207886069 /nfs/dbraw/zinc/88/60/69/1207886069.db2.gz BQYBYYKDCZDGMG-BRWVUGGUSA-N 2 2 368.522 0.277 20 0 FCADLP CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001193737579 1207886070 /nfs/dbraw/zinc/88/60/70/1207886070.db2.gz BQYBYYKDCZDGMG-BRWVUGGUSA-N 2 2 368.522 0.277 20 0 FCADLP Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)c1 ZINC001193738352 1207886866 /nfs/dbraw/zinc/88/68/66/1207886866.db2.gz RAVPKGUDTOMMLR-GUDVDZBRSA-N 2 2 371.485 0.483 20 0 FCADLP Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)c1 ZINC001193738352 1207886867 /nfs/dbraw/zinc/88/68/67/1207886867.db2.gz RAVPKGUDTOMMLR-GUDVDZBRSA-N 2 2 371.485 0.483 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@H]2O)CCC1 ZINC001193745007 1207887158 /nfs/dbraw/zinc/88/71/58/1207887158.db2.gz ATBMTHIDBSFLKL-HZPDHXFCSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]2O)CCC1 ZINC001193745007 1207887159 /nfs/dbraw/zinc/88/71/59/1207887159.db2.gz ATBMTHIDBSFLKL-HZPDHXFCSA-N 2 2 366.506 0.035 20 0 FCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)C[C@H]2O)CCC1 ZINC001193774097 1207888083 /nfs/dbraw/zinc/88/80/83/1207888083.db2.gz HJPNTIWNQVIMIC-BRWVUGGUSA-N 2 2 365.449 0.505 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)C3CCC3)C2)n1 ZINC001193791629 1207889438 /nfs/dbraw/zinc/88/94/38/1207889438.db2.gz NQIKDPPDWDXNAJ-IAGOWNOFSA-N 2 2 362.474 0.626 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC001193791629 1207889441 /nfs/dbraw/zinc/88/94/41/1207889441.db2.gz NQIKDPPDWDXNAJ-IAGOWNOFSA-N 2 2 362.474 0.626 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC001193791629 1207889442 /nfs/dbraw/zinc/88/94/42/1207889442.db2.gz NQIKDPPDWDXNAJ-IAGOWNOFSA-N 2 2 362.474 0.626 20 0 FCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791019 1207889600 /nfs/dbraw/zinc/88/96/00/1207889600.db2.gz AWRZHOIQLRENLN-JFIYKMOQSA-N 2 2 365.449 0.836 20 0 FCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791019 1207889601 /nfs/dbraw/zinc/88/96/01/1207889601.db2.gz AWRZHOIQLRENLN-JFIYKMOQSA-N 2 2 365.449 0.836 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745918 1207889936 /nfs/dbraw/zinc/88/99/36/1207889936.db2.gz JWUYGKSUENNDME-ARFHVFGLSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745918 1207889938 /nfs/dbraw/zinc/88/99/38/1207889938.db2.gz JWUYGKSUENNDME-ARFHVFGLSA-N 2 2 366.506 0.033 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804674 1207891220 /nfs/dbraw/zinc/89/12/20/1207891220.db2.gz CHPSJWFXBYJZGQ-KBRIMQKVSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193804674 1207891221 /nfs/dbraw/zinc/89/12/21/1207891221.db2.gz CHPSJWFXBYJZGQ-KBRIMQKVSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193804674 1207891222 /nfs/dbraw/zinc/89/12/22/1207891222.db2.gz CHPSJWFXBYJZGQ-KBRIMQKVSA-N 2 2 366.506 0.079 20 0 FCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193804674 1207891224 /nfs/dbraw/zinc/89/12/24/1207891224.db2.gz CHPSJWFXBYJZGQ-KBRIMQKVSA-N 2 2 366.506 0.079 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001194076424 1207913684 /nfs/dbraw/zinc/91/36/84/1207913684.db2.gz PTCIYQULTQOXFV-IAGOWNOFSA-N 2 2 362.474 0.101 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001194076424 1207913687 /nfs/dbraw/zinc/91/36/87/1207913687.db2.gz PTCIYQULTQOXFV-IAGOWNOFSA-N 2 2 362.474 0.101 20 0 FCADLP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)n1 ZINC001194235596 1207925282 /nfs/dbraw/zinc/92/52/82/1207925282.db2.gz MJNBSFOFKUGRMB-HZPDHXFCSA-N 2 2 364.490 0.872 20 0 FCADLP CCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)n1 ZINC001194235596 1207925286 /nfs/dbraw/zinc/92/52/86/1207925286.db2.gz MJNBSFOFKUGRMB-HZPDHXFCSA-N 2 2 364.490 0.872 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2)n1 ZINC001194235596 1207925291 /nfs/dbraw/zinc/92/52/91/1207925291.db2.gz MJNBSFOFKUGRMB-HZPDHXFCSA-N 2 2 364.490 0.872 20 0 FCADLP CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)n1 ZINC001194235596 1207925295 /nfs/dbraw/zinc/92/52/95/1207925295.db2.gz MJNBSFOFKUGRMB-HZPDHXFCSA-N 2 2 364.490 0.872 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001195139119 1208002281 /nfs/dbraw/zinc/00/22/81/1208002281.db2.gz GUHXKDHZDCHNHJ-QZTJIDSGSA-N 2 2 356.426 0.665 20 0 FCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](Cc2ccc3c(c2)COC3)C[C@H]1O ZINC001195139119 1208002285 /nfs/dbraw/zinc/00/22/85/1208002285.db2.gz GUHXKDHZDCHNHJ-QZTJIDSGSA-N 2 2 356.426 0.665 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1F ZINC001195653621 1208033627 /nfs/dbraw/zinc/03/36/27/1208033627.db2.gz BMKPMAPXYXVFPA-HZPDHXFCSA-N 2 2 365.449 0.837 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1F ZINC001195653621 1208033631 /nfs/dbraw/zinc/03/36/31/1208033631.db2.gz BMKPMAPXYXVFPA-HZPDHXFCSA-N 2 2 365.449 0.837 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1O ZINC001195701931 1208035916 /nfs/dbraw/zinc/03/59/16/1208035916.db2.gz UHOQQDPIVGBXPM-HUUCEWRRSA-N 2 2 363.462 0.063 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708164 1208036086 /nfs/dbraw/zinc/03/60/86/1208036086.db2.gz GTMWRNNCTGZVHP-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708164 1208036089 /nfs/dbraw/zinc/03/60/89/1208036089.db2.gz GTMWRNNCTGZVHP-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707957 1208036186 /nfs/dbraw/zinc/03/61/86/1208036186.db2.gz BJSODLYKYDQRBE-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707957 1208036190 /nfs/dbraw/zinc/03/61/90/1208036190.db2.gz BJSODLYKYDQRBE-GVDBMIGSSA-N 2 2 370.538 0.383 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)[NH+](C)C ZINC001196268111 1208069871 /nfs/dbraw/zinc/06/98/71/1208069871.db2.gz OYLOGZWIGFZYCL-OWCLPIDISA-N 2 2 363.458 0.459 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)C2)o1 ZINC001196306712 1208070925 /nfs/dbraw/zinc/07/09/25/1208070925.db2.gz GYPNNIQOOPZPPK-KBRIMQKVSA-N 2 2 366.462 0.145 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]3CCCC3)C2)o1 ZINC001196306712 1208070928 /nfs/dbraw/zinc/07/09/28/1208070928.db2.gz GYPNNIQOOPZPPK-KBRIMQKVSA-N 2 2 366.462 0.145 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O)[NH+](C)C ZINC001196275487 1208071683 /nfs/dbraw/zinc/07/16/83/1208071683.db2.gz CEVGODWINJFYBL-IXDOHACOSA-N 2 2 368.522 0.135 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1O)[NH+](C)C ZINC001196275487 1208071686 /nfs/dbraw/zinc/07/16/86/1208071686.db2.gz CEVGODWINJFYBL-IXDOHACOSA-N 2 2 368.522 0.135 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC001196939445 1208123769 /nfs/dbraw/zinc/12/37/69/1208123769.db2.gz IRNZXSDZFACALG-QZTJIDSGSA-N 2 2 363.458 0.079 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC001196939445 1208123773 /nfs/dbraw/zinc/12/37/73/1208123773.db2.gz IRNZXSDZFACALG-QZTJIDSGSA-N 2 2 363.458 0.079 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2O)CC1 ZINC001197320038 1208153500 /nfs/dbraw/zinc/15/35/00/1208153500.db2.gz TYPVHKOXBLIIIS-QZTJIDSGSA-N 2 2 365.449 0.598 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2O)CC1 ZINC001197320038 1208153503 /nfs/dbraw/zinc/15/35/03/1208153503.db2.gz TYPVHKOXBLIIIS-QZTJIDSGSA-N 2 2 365.449 0.598 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493204 1208168261 /nfs/dbraw/zinc/16/82/61/1208168261.db2.gz GGYAPAJPFFOFGG-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493204 1208168262 /nfs/dbraw/zinc/16/82/62/1208168262.db2.gz GGYAPAJPFFOFGG-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493204 1208168263 /nfs/dbraw/zinc/16/82/63/1208168263.db2.gz GGYAPAJPFFOFGG-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493204 1208168264 /nfs/dbraw/zinc/16/82/64/1208168264.db2.gz GGYAPAJPFFOFGG-BRWVUGGUSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001198048684 1208213407 /nfs/dbraw/zinc/21/34/07/1208213407.db2.gz YQVVPMVBCGMWHC-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001198048684 1208213409 /nfs/dbraw/zinc/21/34/09/1208213409.db2.gz YQVVPMVBCGMWHC-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001198048684 1208213410 /nfs/dbraw/zinc/21/34/10/1208213410.db2.gz YQVVPMVBCGMWHC-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1O ZINC001198048684 1208213412 /nfs/dbraw/zinc/21/34/12/1208213412.db2.gz YQVVPMVBCGMWHC-IAGOWNOFSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001198047464 1208213753 /nfs/dbraw/zinc/21/37/53/1208213753.db2.gz NTIQSUVRZRTTDV-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001198047464 1208213756 /nfs/dbraw/zinc/21/37/56/1208213756.db2.gz NTIQSUVRZRTTDV-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001198047464 1208213758 /nfs/dbraw/zinc/21/37/58/1208213758.db2.gz NTIQSUVRZRTTDV-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001198047464 1208213761 /nfs/dbraw/zinc/21/37/61/1208213761.db2.gz NTIQSUVRZRTTDV-HZPDHXFCSA-N 2 2 363.458 0.461 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048481 1208213772 /nfs/dbraw/zinc/21/37/72/1208213772.db2.gz WEDRDMSYZAXFBW-GVDBMIGSSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048481 1208213775 /nfs/dbraw/zinc/21/37/75/1208213775.db2.gz WEDRDMSYZAXFBW-GVDBMIGSSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048481 1208213776 /nfs/dbraw/zinc/21/37/76/1208213776.db2.gz WEDRDMSYZAXFBW-GVDBMIGSSA-N 2 2 370.538 0.523 20 0 FCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C[C@H]1O ZINC001198048481 1208213780 /nfs/dbraw/zinc/21/37/80/1208213780.db2.gz WEDRDMSYZAXFBW-GVDBMIGSSA-N 2 2 370.538 0.523 20 0 FCADLP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCCC1 ZINC001198292423 1208235853 /nfs/dbraw/zinc/23/58/53/1208235853.db2.gz OPYAHCIPLHDBNB-KZNAEPCWSA-N 2 2 364.490 0.719 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C1CCCC1 ZINC001198292423 1208235856 /nfs/dbraw/zinc/23/58/56/1208235856.db2.gz OPYAHCIPLHDBNB-KZNAEPCWSA-N 2 2 364.490 0.719 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220747108 1225052207 /nfs/dbraw/zinc/05/22/07/1225052207.db2.gz YTHZMGUXSDRONR-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC001220747108 1225052216 /nfs/dbraw/zinc/05/22/16/1225052216.db2.gz YTHZMGUXSDRONR-ZACQAIPSSA-N 2 2 368.522 0.281 20 0 FCADLP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1=O ZINC001110510514 1208257181 /nfs/dbraw/zinc/25/71/81/1208257181.db2.gz IBARMVDNXWXNMO-OAGGEKHMSA-N 2 2 355.442 0.963 20 0 FCADLP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2[nH]cc[nH+]2)C3)cc1=O ZINC001110510514 1208257183 /nfs/dbraw/zinc/25/71/83/1208257183.db2.gz IBARMVDNXWXNMO-OAGGEKHMSA-N 2 2 355.442 0.963 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198557211 1208269511 /nfs/dbraw/zinc/26/95/11/1208269511.db2.gz QHJKSBOKUUJEGW-AWEZNQCLSA-N 2 2 354.370 0.515 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001198672273 1208281826 /nfs/dbraw/zinc/28/18/26/1208281826.db2.gz LDVBURAHYMAFQH-QZTJIDSGSA-N 2 2 365.449 0.852 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O ZINC001198672273 1208281829 /nfs/dbraw/zinc/28/18/29/1208281829.db2.gz LDVBURAHYMAFQH-QZTJIDSGSA-N 2 2 365.449 0.852 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057021 1208314757 /nfs/dbraw/zinc/31/47/57/1208314757.db2.gz CMWLEISFNVTLSG-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057021 1208314758 /nfs/dbraw/zinc/31/47/58/1208314758.db2.gz CMWLEISFNVTLSG-BZUAXINKSA-N 2 2 368.522 0.327 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199071162 1208315887 /nfs/dbraw/zinc/31/58/87/1208315887.db2.gz LXZVXFONQHQHDH-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199071162 1208315892 /nfs/dbraw/zinc/31/58/92/1208315892.db2.gz LXZVXFONQHQHDH-IAGOWNOFSA-N 2 2 362.474 0.628 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199103894 1208318807 /nfs/dbraw/zinc/31/88/07/1208318807.db2.gz DNWLXCFISDVVIL-GVDBMIGSSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1)C(C)C ZINC001199103894 1208318809 /nfs/dbraw/zinc/31/88/09/1208318809.db2.gz DNWLXCFISDVVIL-GVDBMIGSSA-N 2 2 370.538 0.522 20 0 FCADLP CC(C)N(C(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1)C(C)C ZINC001199103894 1208318810 /nfs/dbraw/zinc/31/88/10/1208318810.db2.gz DNWLXCFISDVVIL-GVDBMIGSSA-N 2 2 370.538 0.522 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)ncn1 ZINC001199370554 1208344644 /nfs/dbraw/zinc/34/46/44/1208344644.db2.gz XYYZNZNFSPBOLV-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)ncn1 ZINC001199370554 1208344647 /nfs/dbraw/zinc/34/46/47/1208344647.db2.gz XYYZNZNFSPBOLV-QZTJIDSGSA-N 2 2 361.490 0.712 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001199398934 1208348874 /nfs/dbraw/zinc/34/88/74/1208348874.db2.gz ZPZGUXPHCPMUAC-GVDBMIGSSA-N 2 2 366.462 0.020 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001199398934 1208348879 /nfs/dbraw/zinc/34/88/79/1208348879.db2.gz ZPZGUXPHCPMUAC-GVDBMIGSSA-N 2 2 366.462 0.020 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575276 1208480969 /nfs/dbraw/zinc/48/09/69/1208480969.db2.gz DJDSEDSGTROJCI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110575276 1208480971 /nfs/dbraw/zinc/48/09/71/1208480971.db2.gz DJDSEDSGTROJCI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110575276 1208480973 /nfs/dbraw/zinc/48/09/73/1208480973.db2.gz DJDSEDSGTROJCI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP CCOCCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110575276 1208480975 /nfs/dbraw/zinc/48/09/75/1208480975.db2.gz DJDSEDSGTROJCI-HHARLNAUSA-N 2 2 366.506 0.201 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001220806872 1225082203 /nfs/dbraw/zinc/08/22/03/1225082203.db2.gz LCOHSFCKTMYPAP-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001220806872 1225082209 /nfs/dbraw/zinc/08/22/09/1225082209.db2.gz LCOHSFCKTMYPAP-SJORKVTESA-N 2 2 368.522 0.282 20 0 FCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817604 1225086077 /nfs/dbraw/zinc/08/60/77/1225086077.db2.gz ZHGYHCXIMQMSAD-XHSDSOJGSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817604 1225086081 /nfs/dbraw/zinc/08/60/81/1225086081.db2.gz ZHGYHCXIMQMSAD-XHSDSOJGSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817604 1225086089 /nfs/dbraw/zinc/08/60/89/1225086089.db2.gz ZHGYHCXIMQMSAD-XHSDSOJGSA-N 2 2 370.538 0.573 20 0 FCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@@H]1O ZINC001220817604 1225086092 /nfs/dbraw/zinc/08/60/92/1225086092.db2.gz ZHGYHCXIMQMSAD-XHSDSOJGSA-N 2 2 370.538 0.573 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001489541140 1208900823 /nfs/dbraw/zinc/90/08/23/1208900823.db2.gz KTRQURPMNJZZPJ-ZIAGYGMSSA-N 2 2 363.462 0.026 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939586 1225149608 /nfs/dbraw/zinc/14/96/08/1225149608.db2.gz PIZPARNMCUHCEG-DOTOQJQBSA-N 2 2 362.449 0.632 20 0 FCADLP O=C(CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939586 1225149613 /nfs/dbraw/zinc/14/96/13/1225149613.db2.gz PIZPARNMCUHCEG-DOTOQJQBSA-N 2 2 362.449 0.632 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939589 1225150283 /nfs/dbraw/zinc/15/02/83/1225150283.db2.gz PIZPARNMCUHCEG-WBVHZDCISA-N 2 2 362.449 0.632 20 0 FCADLP O=C(CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC001220939589 1225150288 /nfs/dbraw/zinc/15/02/88/1225150288.db2.gz PIZPARNMCUHCEG-WBVHZDCISA-N 2 2 362.449 0.632 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828964 1209730570 /nfs/dbraw/zinc/73/05/70/1209730570.db2.gz YREOUIOBOHPQQV-BBWFWOEESA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828964 1209730574 /nfs/dbraw/zinc/73/05/74/1209730574.db2.gz YREOUIOBOHPQQV-BBWFWOEESA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828964 1209730583 /nfs/dbraw/zinc/73/05/83/1209730583.db2.gz YREOUIOBOHPQQV-BBWFWOEESA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000856828964 1209730592 /nfs/dbraw/zinc/73/05/92/1209730592.db2.gz YREOUIOBOHPQQV-BBWFWOEESA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000856828967 1209730836 /nfs/dbraw/zinc/73/08/36/1209730836.db2.gz YREOUIOBOHPQQV-YESZJQIVSA-N 2 2 369.506 0.877 20 0 FCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000856828967 1209730840 /nfs/dbraw/zinc/73/08/40/1209730840.db2.gz YREOUIOBOHPQQV-YESZJQIVSA-N 2 2 369.506 0.877 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001111496833 1209884528 /nfs/dbraw/zinc/88/45/28/1209884528.db2.gz GVNVFMTYMOQHHF-XDNAFOTISA-N 2 2 372.473 0.642 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001111496833 1209884529 /nfs/dbraw/zinc/88/45/29/1209884529.db2.gz GVNVFMTYMOQHHF-XDNAFOTISA-N 2 2 372.473 0.642 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810207 1209891147 /nfs/dbraw/zinc/89/11/47/1209891147.db2.gz KTXUDWXOPIZOPP-BTQDYEIMSA-N 2 2 370.413 0.253 20 0 FCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110810207 1209891148 /nfs/dbraw/zinc/89/11/48/1209891148.db2.gz KTXUDWXOPIZOPP-BTQDYEIMSA-N 2 2 370.413 0.253 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001110822048 1209913885 /nfs/dbraw/zinc/91/38/85/1209913885.db2.gz WZPOVVMLQOGTBF-KYJSFNMBSA-N 2 2 362.474 0.492 20 0 FCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001110822048 1209913891 /nfs/dbraw/zinc/91/38/91/1209913891.db2.gz WZPOVVMLQOGTBF-KYJSFNMBSA-N 2 2 362.474 0.492 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979425 1225171834 /nfs/dbraw/zinc/17/18/34/1225171834.db2.gz LJHKWEJWUPOZRR-YUELXQCFSA-N 2 2 365.478 0.046 20 0 FCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979425 1225171842 /nfs/dbraw/zinc/17/18/42/1225171842.db2.gz LJHKWEJWUPOZRR-YUELXQCFSA-N 2 2 365.478 0.046 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000863753381 1209949858 /nfs/dbraw/zinc/94/98/58/1209949858.db2.gz SJCDMUHGSIJNGA-CYBMUJFWSA-N 2 2 362.478 0.363 20 0 FCADLP Cc1cc(N2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000863753382 1209949898 /nfs/dbraw/zinc/94/98/98/1209949898.db2.gz SJCDMUHGSIJNGA-ZDUSSCGKSA-N 2 2 362.478 0.363 20 0 FCADLP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000794565133 1209952997 /nfs/dbraw/zinc/95/29/97/1209952997.db2.gz JZZNOXGWXAZKJL-IAGOWNOFSA-N 2 2 370.538 0.926 20 0 FCADLP C[C@@H](O)C[N@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000794565133 1209952998 /nfs/dbraw/zinc/95/29/98/1209952998.db2.gz JZZNOXGWXAZKJL-IAGOWNOFSA-N 2 2 370.538 0.926 20 0 FCADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000865199248 1209975119 /nfs/dbraw/zinc/97/51/19/1209975119.db2.gz QBFCGYHTRUMVFL-ARJAWSKDSA-N 2 2 374.485 0.483 20 0 FCADLP NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000865543909 1209980039 /nfs/dbraw/zinc/98/00/39/1209980039.db2.gz CXUYKLPASLXYGJ-INIZCTEOSA-N 2 2 362.430 0.117 20 0 FCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000867542237 1210012268 /nfs/dbraw/zinc/01/22/68/1210012268.db2.gz DWWCDMCKIZFHLI-UHFFFAOYSA-N 2 2 367.538 0.025 20 0 FCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868385336 1210058018 /nfs/dbraw/zinc/05/80/18/1210058018.db2.gz PIDKXSBTEUZZHQ-KRWDZBQOSA-N 2 2 367.538 0.057 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4(CCNC4=O)CC3)C2)CC1 ZINC000872902560 1210218637 /nfs/dbraw/zinc/21/86/37/1210218637.db2.gz DXIRPZLKSINQKS-HNNXBMFYSA-N 2 2 363.506 0.467 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(CCNC4=O)CC3)C2)CC1 ZINC000872902560 1210218653 /nfs/dbraw/zinc/21/86/53/1210218653.db2.gz DXIRPZLKSINQKS-HNNXBMFYSA-N 2 2 363.506 0.467 20 0 FCADLP COCCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000875294515 1210361087 /nfs/dbraw/zinc/36/10/87/1210361087.db2.gz GJJHMJGXPSMMKW-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP COCCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000875294515 1210361091 /nfs/dbraw/zinc/36/10/91/1210361091.db2.gz GJJHMJGXPSMMKW-MRXNPFEDSA-N 2 2 368.522 0.992 20 0 FCADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221073530 1225211450 /nfs/dbraw/zinc/21/14/50/1225211450.db2.gz ZRWZGZKQYNOJOW-JQHSSLGASA-N 2 2 361.490 0.883 20 0 FCADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221073530 1225211456 /nfs/dbraw/zinc/21/14/56/1225211456.db2.gz ZRWZGZKQYNOJOW-JQHSSLGASA-N 2 2 361.490 0.883 20 0 FCADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570249 1210488499 /nfs/dbraw/zinc/48/84/99/1210488499.db2.gz DXEVMBSHSAOKRU-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570249 1210488517 /nfs/dbraw/zinc/48/85/17/1210488517.db2.gz DXEVMBSHSAOKRU-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570249 1210488519 /nfs/dbraw/zinc/48/85/19/1210488519.db2.gz DXEVMBSHSAOKRU-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCN(c4ncccn4)CC3)CC[C@H]21 ZINC000879570249 1210488521 /nfs/dbraw/zinc/48/85/21/1210488521.db2.gz DXEVMBSHSAOKRU-DLBZAZTESA-N 2 2 358.490 0.541 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879576222 1210489087 /nfs/dbraw/zinc/48/90/87/1210489087.db2.gz AIXIMGLMBICZMS-ZACQAIPSSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879576222 1210489090 /nfs/dbraw/zinc/48/90/90/1210489090.db2.gz AIXIMGLMBICZMS-ZACQAIPSSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879576222 1210489094 /nfs/dbraw/zinc/48/90/94/1210489094.db2.gz AIXIMGLMBICZMS-ZACQAIPSSA-N 2 2 358.490 0.540 20 0 FCADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879576222 1210489098 /nfs/dbraw/zinc/48/90/98/1210489098.db2.gz AIXIMGLMBICZMS-ZACQAIPSSA-N 2 2 358.490 0.540 20 0 FCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133627 1210517023 /nfs/dbraw/zinc/51/70/23/1210517023.db2.gz VFTNLHUIICEKEI-IRXDYDNUSA-N 2 2 358.490 0.684 20 0 FCADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133627 1210517028 /nfs/dbraw/zinc/51/70/28/1210517028.db2.gz VFTNLHUIICEKEI-IRXDYDNUSA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133627 1210517033 /nfs/dbraw/zinc/51/70/33/1210517033.db2.gz VFTNLHUIICEKEI-IRXDYDNUSA-N 2 2 358.490 0.684 20 0 FCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000880133627 1210517039 /nfs/dbraw/zinc/51/70/39/1210517039.db2.gz VFTNLHUIICEKEI-IRXDYDNUSA-N 2 2 358.490 0.684 20 0 FCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000880251154 1210522837 /nfs/dbraw/zinc/52/28/37/1210522837.db2.gz IJXXYOPRGOOOGR-DLBZAZTESA-N 2 2 369.506 0.349 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882636444 1210632550 /nfs/dbraw/zinc/63/25/50/1210632550.db2.gz RILSWYYNNOOQCR-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882636444 1210632554 /nfs/dbraw/zinc/63/25/54/1210632554.db2.gz RILSWYYNNOOQCR-IAGOWNOFSA-N 2 2 361.490 0.358 20 0 FCADLP CC(C)N(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001202552770 1210651436 /nfs/dbraw/zinc/65/14/36/1210651436.db2.gz RQLTVECCJBCPHX-HZPDHXFCSA-N 2 2 361.490 0.971 20 0 FCADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000800218348 1210713080 /nfs/dbraw/zinc/71/30/80/1210713080.db2.gz PUVNNBIGVAMSGE-IXDOHACOSA-N 2 2 367.490 0.583 20 0 FCADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)CC1=O ZINC000800218348 1210713083 /nfs/dbraw/zinc/71/30/83/1210713083.db2.gz PUVNNBIGVAMSGE-IXDOHACOSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CC1=O ZINC000800218348 1210713084 /nfs/dbraw/zinc/71/30/84/1210713084.db2.gz PUVNNBIGVAMSGE-IXDOHACOSA-N 2 2 367.490 0.583 20 0 FCADLP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[N@H+]2CCO[C@H](C)C2)CC1=O ZINC000800218348 1210713086 /nfs/dbraw/zinc/71/30/86/1210713086.db2.gz PUVNNBIGVAMSGE-IXDOHACOSA-N 2 2 367.490 0.583 20 0 FCADLP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000884311597 1210728939 /nfs/dbraw/zinc/72/89/39/1210728939.db2.gz GZYPBPDTFKDJHJ-HZPDHXFCSA-N 2 2 374.489 0.526 20 0 FCADLP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884311597 1210728943 /nfs/dbraw/zinc/72/89/43/1210728943.db2.gz GZYPBPDTFKDJHJ-HZPDHXFCSA-N 2 2 374.489 0.526 20 0 FCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884427121 1210734249 /nfs/dbraw/zinc/73/42/49/1210734249.db2.gz IHYKKWVZQRTQSG-NVXWUHKLSA-N 2 2 361.442 0.454 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCCC[C@H]3C[NH3+])CC2)CC1 ZINC000884542970 1210747286 /nfs/dbraw/zinc/74/72/86/1210747286.db2.gz QUAZIKLSBCACKP-KRWDZBQOSA-N 3 2 365.522 0.001 20 0 FCADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000884573541 1210754703 /nfs/dbraw/zinc/75/47/03/1210754703.db2.gz OEHXGRVPJWVJFN-HOTGVXAUSA-N 2 2 353.426 0.145 20 0 FCADLP CN(C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)C1(C[NH3+])CCCCC1 ZINC000884627948 1210767031 /nfs/dbraw/zinc/76/70/31/1210767031.db2.gz HXCHEGRQMHPTGC-UHFFFAOYSA-N 2 2 361.490 0.998 20 0 FCADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000884639240 1210769890 /nfs/dbraw/zinc/76/98/90/1210769890.db2.gz SQYNRUHGEZYDFV-YOEHRIQHSA-N 2 2 371.441 0.570 20 0 FCADLP C[NH+]1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000884672414 1210776755 /nfs/dbraw/zinc/77/67/55/1210776755.db2.gz SVCSHKWLTBUQTJ-UHFFFAOYSA-N 2 2 365.522 0.003 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884675587 1210776863 /nfs/dbraw/zinc/77/68/63/1210776863.db2.gz IHUPMZQVRVBXOA-KRWDZBQOSA-N 2 2 362.474 0.038 20 0 FCADLP C[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884675587 1210776866 /nfs/dbraw/zinc/77/68/66/1210776866.db2.gz IHUPMZQVRVBXOA-KRWDZBQOSA-N 2 2 362.474 0.038 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000884689040 1210780877 /nfs/dbraw/zinc/78/08/77/1210780877.db2.gz XITAXQZOSFCCQI-ZWKOTPCHSA-N 2 2 374.485 0.180 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000884689040 1210780885 /nfs/dbraw/zinc/78/08/85/1210780885.db2.gz XITAXQZOSFCCQI-ZWKOTPCHSA-N 2 2 374.485 0.180 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000884886392 1210802785 /nfs/dbraw/zinc/80/27/85/1210802785.db2.gz LDXREBAUFFTJTG-IRXDYDNUSA-N 2 2 369.469 0.812 20 0 FCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000884886389 1210803048 /nfs/dbraw/zinc/80/30/48/1210803048.db2.gz LDXREBAUFFTJTG-DLBZAZTESA-N 2 2 369.469 0.812 20 0 FCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000885020687 1210809488 /nfs/dbraw/zinc/80/94/88/1210809488.db2.gz NHJCHGZNPOMZBP-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000885020687 1210809491 /nfs/dbraw/zinc/80/94/91/1210809491.db2.gz NHJCHGZNPOMZBP-SJLPKXTDSA-N 2 2 374.485 0.132 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000885019953 1210809556 /nfs/dbraw/zinc/80/95/56/1210809556.db2.gz BVDQHOQIYBEMQI-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000885019953 1210809557 /nfs/dbraw/zinc/80/95/57/1210809557.db2.gz BVDQHOQIYBEMQI-QGZVFWFLSA-N 2 2 362.474 0.119 20 0 FCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000885022866 1210810014 /nfs/dbraw/zinc/81/00/14/1210810014.db2.gz TVDKZOBKIXVKLC-DKIMLUQUSA-N 2 2 356.470 0.875 20 0 FCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000885022866 1210810015 /nfs/dbraw/zinc/81/00/15/1210810015.db2.gz TVDKZOBKIXVKLC-DKIMLUQUSA-N 2 2 356.470 0.875 20 0 FCADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000885161094 1210813759 /nfs/dbraw/zinc/81/37/59/1210813759.db2.gz AUMMEYKHRBQTPN-KRWDZBQOSA-N 2 2 367.453 0.877 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975383 1210822959 /nfs/dbraw/zinc/82/29/59/1210822959.db2.gz FYEMQGFQQNTXRJ-OWCLPIDISA-N 2 2 363.462 0.167 20 0 FCADLP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946975383 1210822960 /nfs/dbraw/zinc/82/29/60/1210822960.db2.gz FYEMQGFQQNTXRJ-OWCLPIDISA-N 2 2 363.462 0.167 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158590 1225243929 /nfs/dbraw/zinc/24/39/29/1225243929.db2.gz NPBRNGKRQKFOHD-UAGQMJEPSA-N 2 2 366.506 0.081 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158590 1225243933 /nfs/dbraw/zinc/24/39/33/1225243933.db2.gz NPBRNGKRQKFOHD-UAGQMJEPSA-N 2 2 366.506 0.081 20 0 FCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000890065131 1210962395 /nfs/dbraw/zinc/96/23/95/1210962395.db2.gz AQJWLPCXZVRUIJ-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000890065131 1210962399 /nfs/dbraw/zinc/96/23/99/1210962399.db2.gz AQJWLPCXZVRUIJ-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000890065131 1210962403 /nfs/dbraw/zinc/96/24/03/1210962403.db2.gz AQJWLPCXZVRUIJ-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP CC[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000890065131 1210962406 /nfs/dbraw/zinc/96/24/06/1210962406.db2.gz AQJWLPCXZVRUIJ-CABCVRRESA-N 2 2 369.510 0.931 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110842900 1210990992 /nfs/dbraw/zinc/99/09/92/1210990992.db2.gz XWICTOLOXJKSML-TWMKSMIVSA-N 2 2 372.473 0.332 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1 ZINC001110842900 1210990996 /nfs/dbraw/zinc/99/09/96/1210990996.db2.gz XWICTOLOXJKSML-TWMKSMIVSA-N 2 2 372.473 0.332 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274466289 1211060538 /nfs/dbraw/zinc/06/05/38/1211060538.db2.gz XKPKJAWDTNCLEN-BBWFWOEESA-N 2 2 361.490 0.668 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274466289 1211060541 /nfs/dbraw/zinc/06/05/41/1211060541.db2.gz XKPKJAWDTNCLEN-BBWFWOEESA-N 2 2 361.490 0.668 20 0 FCADLP COC(=O)CCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275130078 1211177225 /nfs/dbraw/zinc/17/72/25/1211177225.db2.gz FASARZBLQIPLNX-GOSISDBHSA-N 2 2 364.446 0.387 20 0 FCADLP COC(=O)CCC[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001275130078 1211177228 /nfs/dbraw/zinc/17/72/28/1211177228.db2.gz FASARZBLQIPLNX-GOSISDBHSA-N 2 2 364.446 0.387 20 0 FCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149277 1211181341 /nfs/dbraw/zinc/18/13/41/1211181341.db2.gz WCMQIBPZHCMLMP-KBXCAEBGSA-N 2 2 359.430 0.003 20 0 FCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)N1 ZINC001275149277 1211181344 /nfs/dbraw/zinc/18/13/44/1211181344.db2.gz WCMQIBPZHCMLMP-KBXCAEBGSA-N 2 2 359.430 0.003 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001275152270 1211182339 /nfs/dbraw/zinc/18/23/39/1211182339.db2.gz IBOZSGWQVATKMZ-FZKQIMNGSA-N 2 2 359.430 0.040 20 0 FCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001275152270 1211182341 /nfs/dbraw/zinc/18/23/41/1211182341.db2.gz IBOZSGWQVATKMZ-FZKQIMNGSA-N 2 2 359.430 0.040 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178080 1211190697 /nfs/dbraw/zinc/19/06/97/1211190697.db2.gz USEUMGSRNVKAMO-CGTJXYLNSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178080 1211190699 /nfs/dbraw/zinc/19/06/99/1211190699.db2.gz USEUMGSRNVKAMO-CGTJXYLNSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178080 1211190701 /nfs/dbraw/zinc/19/07/01/1211190701.db2.gz USEUMGSRNVKAMO-CGTJXYLNSA-N 2 2 360.506 0.007 20 0 FCADLP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCN4C)[C@@H]3C2)n(C)n1 ZINC001275178080 1211190703 /nfs/dbraw/zinc/19/07/03/1211190703.db2.gz USEUMGSRNVKAMO-CGTJXYLNSA-N 2 2 360.506 0.007 20 0 FCADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001275245265 1211202125 /nfs/dbraw/zinc/20/21/25/1211202125.db2.gz MBIZHMJTHPUWRL-UHFFFAOYSA-N 2 2 371.441 0.879 20 0 FCADLP COc1nccc(C[N@@H+]2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001275260589 1211205667 /nfs/dbraw/zinc/20/56/67/1211205667.db2.gz BGOUMZIZLLDMHW-GOSISDBHSA-N 2 2 356.430 0.806 20 0 FCADLP COc1nccc(C[N@H+]2CC[C@@]3(CCN(CCn4cc[nH+]c4)C3=O)C2)n1 ZINC001275260589 1211205669 /nfs/dbraw/zinc/20/56/69/1211205669.db2.gz BGOUMZIZLLDMHW-GOSISDBHSA-N 2 2 356.430 0.806 20 0 FCADLP Cn1c[nH+]cc1CN1CCC2(CC[NH+](CCN3CCOCC3)CC2)C1=O ZINC001275287270 1211208339 /nfs/dbraw/zinc/20/83/39/1211208339.db2.gz MINIHKQYLGYWKT-UHFFFAOYSA-N 2 2 361.490 0.567 20 0 FCADLP Cn1cnc(C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)c1 ZINC001275365797 1211223383 /nfs/dbraw/zinc/22/33/83/1211223383.db2.gz QJYQMVWIPUKRCZ-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP Cn1cnc(C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)c1 ZINC001275365797 1211223387 /nfs/dbraw/zinc/22/33/87/1211223387.db2.gz QJYQMVWIPUKRCZ-SFHVURJKSA-N 2 2 356.430 0.658 20 0 FCADLP O=c1cc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cc[nH]1 ZINC001275460640 1211243769 /nfs/dbraw/zinc/24/37/69/1211243769.db2.gz OGAYYWFDQJITNA-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP O=c1cc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)cc[nH]1 ZINC001275460640 1211243772 /nfs/dbraw/zinc/24/37/72/1211243772.db2.gz OGAYYWFDQJITNA-GOSISDBHSA-N 2 2 357.414 0.487 20 0 FCADLP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CC2C(=O)N=CNC2=O)N1CCn1cc[nH+]c1 ZINC001275895774 1211308236 /nfs/dbraw/zinc/30/82/36/1211308236.db2.gz OABUICBPVSUSDT-ZIAGYGMSSA-N 2 2 358.402 0.350 20 0 FCADLP O=C1CC[C@@H]2[C@@H](CC[N@H+]2CC2C(=O)N=CNC2=O)N1CCn1cc[nH+]c1 ZINC001275895774 1211308239 /nfs/dbraw/zinc/30/82/39/1211308239.db2.gz OABUICBPVSUSDT-ZIAGYGMSSA-N 2 2 358.402 0.350 20 0 FCADLP CN(C(=O)COc1ccc(C(N)=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831451 1211332989 /nfs/dbraw/zinc/33/29/89/1211332989.db2.gz VAVQUGDKNZZCQD-QGZVFWFLSA-N 2 2 374.485 0.791 20 0 FCADLP CN(C(=O)COc1ccc(C(N)=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831451 1211332990 /nfs/dbraw/zinc/33/29/90/1211332990.db2.gz VAVQUGDKNZZCQD-QGZVFWFLSA-N 2 2 374.485 0.791 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001095447544 1211348391 /nfs/dbraw/zinc/34/83/91/1211348391.db2.gz BDHKLMQISQHUCY-IKGGRYGDSA-N 2 2 369.473 0.775 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001095447544 1211348395 /nfs/dbraw/zinc/34/83/95/1211348395.db2.gz BDHKLMQISQHUCY-IKGGRYGDSA-N 2 2 369.473 0.775 20 0 FCADLP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001095662613 1211439204 /nfs/dbraw/zinc/43/92/04/1211439204.db2.gz JGJLROHYQRNNKM-ISWURRPUSA-N 2 2 353.426 0.866 20 0 FCADLP Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCNC2=O)ccc2c[nH+]cn21 ZINC001095662613 1211439206 /nfs/dbraw/zinc/43/92/06/1211439206.db2.gz JGJLROHYQRNNKM-ISWURRPUSA-N 2 2 353.426 0.866 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)N1CCC1 ZINC001095693975 1211449419 /nfs/dbraw/zinc/44/94/19/1211449419.db2.gz CTPOZTCXFPOJJL-PVAVHDDUSA-N 2 2 353.426 0.902 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2)N1CCC1 ZINC001095693975 1211449422 /nfs/dbraw/zinc/44/94/22/1211449422.db2.gz CTPOZTCXFPOJJL-PVAVHDDUSA-N 2 2 353.426 0.902 20 0 FCADLP CO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946979018 1211464233 /nfs/dbraw/zinc/46/42/33/1211464233.db2.gz GUNSONXUEXFKKV-BZUAXINKSA-N 2 2 363.462 0.169 20 0 FCADLP CO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000946979018 1211464237 /nfs/dbraw/zinc/46/42/37/1211464237.db2.gz GUNSONXUEXFKKV-BZUAXINKSA-N 2 2 363.462 0.169 20 0 FCADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000925395839 1211498435 /nfs/dbraw/zinc/49/84/35/1211498435.db2.gz IEPKGOLPDXZFJT-PBHICJAKSA-N 2 2 374.489 0.396 20 0 FCADLP CC(C)[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000925662979 1211506358 /nfs/dbraw/zinc/50/63/58/1211506358.db2.gz MTSPKBGVTRVNIP-RHKYWUDLSA-N 2 2 372.517 0.793 20 0 FCADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926287582 1211526481 /nfs/dbraw/zinc/52/64/81/1211526481.db2.gz VMUNZUWLTWYBMQ-KRWDZBQOSA-N 2 2 358.486 0.837 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCO[C@@H]3CCOC3)CC2)CC1 ZINC000927532273 1211574225 /nfs/dbraw/zinc/57/42/25/1211574225.db2.gz WUNUKISDDMZQOT-GOSISDBHSA-N 2 2 368.522 0.994 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCO[C@@H]3CCOC3)CC2)CC1 ZINC000927532273 1211574227 /nfs/dbraw/zinc/57/42/27/1211574227.db2.gz WUNUKISDDMZQOT-GOSISDBHSA-N 2 2 368.522 0.994 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110959543 1211615516 /nfs/dbraw/zinc/61/55/16/1211615516.db2.gz PUQIYDYYIVOZLI-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110959543 1211615518 /nfs/dbraw/zinc/61/55/18/1211615518.db2.gz PUQIYDYYIVOZLI-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1cccnc1 ZINC001110976870 1211656132 /nfs/dbraw/zinc/65/61/32/1211656132.db2.gz WFMPGPFFWUCZOZ-ZACQAIPSSA-N 2 2 359.474 0.371 20 0 FCADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1 ZINC001110976870 1211656138 /nfs/dbraw/zinc/65/61/38/1211656138.db2.gz WFMPGPFFWUCZOZ-ZACQAIPSSA-N 2 2 359.474 0.371 20 0 FCADLP CCO[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000929854359 1211664772 /nfs/dbraw/zinc/66/47/72/1211664772.db2.gz XJTUWEHYNSHMTH-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020730 1211785499 /nfs/dbraw/zinc/78/54/99/1211785499.db2.gz IDELIMBTBABFMJ-DDBAPUKQSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020730 1211785500 /nfs/dbraw/zinc/78/55/00/1211785500.db2.gz IDELIMBTBABFMJ-DDBAPUKQSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020730 1211785501 /nfs/dbraw/zinc/78/55/01/1211785501.db2.gz IDELIMBTBABFMJ-DDBAPUKQSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CC2)C1 ZINC001111020730 1211785502 /nfs/dbraw/zinc/78/55/02/1211785502.db2.gz IDELIMBTBABFMJ-DDBAPUKQSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931999162 1211792405 /nfs/dbraw/zinc/79/24/05/1211792405.db2.gz FAXGIECJNKQDLN-CVEARBPZSA-N 2 2 360.458 0.814 20 0 FCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000931999162 1211792406 /nfs/dbraw/zinc/79/24/06/1211792406.db2.gz FAXGIECJNKQDLN-CVEARBPZSA-N 2 2 360.458 0.814 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1cccnc1)[NH+](C)C ZINC001111035477 1211813602 /nfs/dbraw/zinc/81/36/02/1211813602.db2.gz CALARJFQOZLNFT-BDXSIMOUSA-N 2 2 373.501 0.760 20 0 FCADLP CCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169364 1211909937 /nfs/dbraw/zinc/90/99/37/1211909937.db2.gz PVFZECSAJYLGMG-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP CCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169364 1211909940 /nfs/dbraw/zinc/90/99/40/1211909940.db2.gz PVFZECSAJYLGMG-KFWWJZLASA-N 2 2 367.494 0.286 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)CC1 ZINC001111198463 1211923789 /nfs/dbraw/zinc/92/37/89/1211923789.db2.gz ZSKOHPFBLLOFOP-OIISXLGYSA-N 2 2 364.490 0.097 20 0 FCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)CC1 ZINC001111198463 1211923792 /nfs/dbraw/zinc/92/37/92/1211923792.db2.gz ZSKOHPFBLLOFOP-OIISXLGYSA-N 2 2 364.490 0.097 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001111230133 1211935531 /nfs/dbraw/zinc/93/55/31/1211935531.db2.gz HBKJAZIXSKWXJX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC(=O)NC1CC1 ZINC001111230133 1211935535 /nfs/dbraw/zinc/93/55/35/1211935535.db2.gz HBKJAZIXSKWXJX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111230133 1211935543 /nfs/dbraw/zinc/93/55/43/1211935543.db2.gz HBKJAZIXSKWXJX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001111230133 1211935548 /nfs/dbraw/zinc/93/55/48/1211935548.db2.gz HBKJAZIXSKWXJX-KFWWJZLASA-N 2 2 365.478 0.038 20 0 FCADLP CNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741063 1211952108 /nfs/dbraw/zinc/95/21/08/1211952108.db2.gz PHNTXDWNOAHSOR-YVVXQTMVSA-N 2 2 368.441 0.737 20 0 FCADLP CNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001095741063 1211952114 /nfs/dbraw/zinc/95/21/14/1211952114.db2.gz PHNTXDWNOAHSOR-YVVXQTMVSA-N 2 2 368.441 0.737 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO)c1ccc(-n2cc[nH+]c2)cn1 ZINC001111271233 1212006106 /nfs/dbraw/zinc/00/61/06/1212006106.db2.gz IXQKNFWHLDGDRM-OLMNPRSZSA-N 2 2 371.441 0.611 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)c1ccc(-n2cc[nH+]c2)cn1 ZINC001111271233 1212006114 /nfs/dbraw/zinc/00/61/14/1212006114.db2.gz IXQKNFWHLDGDRM-OLMNPRSZSA-N 2 2 371.441 0.611 20 0 FCADLP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271423 1212006371 /nfs/dbraw/zinc/00/63/71/1212006371.db2.gz QXCGHZWKFYNDTH-SIUPPRGNSA-N 2 2 371.441 0.610 20 0 FCADLP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271423 1212006374 /nfs/dbraw/zinc/00/63/74/1212006374.db2.gz QXCGHZWKFYNDTH-SIUPPRGNSA-N 2 2 371.441 0.610 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001095801221 1212008803 /nfs/dbraw/zinc/00/88/03/1212008803.db2.gz SEHXIUGNBPZYHE-GFEQUFNTSA-N 2 2 363.502 0.998 20 0 FCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001095801221 1212008810 /nfs/dbraw/zinc/00/88/10/1212008810.db2.gz SEHXIUGNBPZYHE-GFEQUFNTSA-N 2 2 363.502 0.998 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000948113749 1212133892 /nfs/dbraw/zinc/13/38/92/1212133892.db2.gz KUSSXPSGROFYSZ-KBRIMQKVSA-N 2 2 371.441 0.242 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000948113749 1212133896 /nfs/dbraw/zinc/13/38/96/1212133896.db2.gz KUSSXPSGROFYSZ-KBRIMQKVSA-N 2 2 371.441 0.242 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)cc1 ZINC000968903504 1212173375 /nfs/dbraw/zinc/17/33/75/1212173375.db2.gz NOCKQDHRSOESGZ-CVEARBPZSA-N 2 2 371.441 0.016 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001111275015 1212189207 /nfs/dbraw/zinc/18/92/07/1212189207.db2.gz OIEKCRGFBSGPHR-AHCXZYCDSA-N 2 2 374.485 0.959 20 0 FCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCc2ccco2)C1 ZINC001111275015 1212189214 /nfs/dbraw/zinc/18/92/14/1212189214.db2.gz OIEKCRGFBSGPHR-AHCXZYCDSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2ccco2)C1 ZINC001111275015 1212189220 /nfs/dbraw/zinc/18/92/20/1212189220.db2.gz OIEKCRGFBSGPHR-AHCXZYCDSA-N 2 2 374.485 0.959 20 0 FCADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2ccco2)C1 ZINC001111275015 1212189225 /nfs/dbraw/zinc/18/92/25/1212189225.db2.gz OIEKCRGFBSGPHR-AHCXZYCDSA-N 2 2 374.485 0.959 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nncn3C)CC2)O1 ZINC000948541000 1212196390 /nfs/dbraw/zinc/19/63/90/1212196390.db2.gz BPIZDROOZAQUHG-BZUAXINKSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3nncn3C)CC2)O1 ZINC000948541000 1212196393 /nfs/dbraw/zinc/19/63/93/1212196393.db2.gz BPIZDROOZAQUHG-BZUAXINKSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3nncn3C)CC2)O1 ZINC000948541000 1212196398 /nfs/dbraw/zinc/19/63/98/1212196398.db2.gz BPIZDROOZAQUHG-BZUAXINKSA-N 2 2 364.494 0.347 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3nncn3C)CC2)O1 ZINC000948541000 1212196399 /nfs/dbraw/zinc/19/63/99/1212196399.db2.gz BPIZDROOZAQUHG-BZUAXINKSA-N 2 2 364.494 0.347 20 0 FCADLP CCn1nnc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277244 1212203439 /nfs/dbraw/zinc/20/34/39/1212203439.db2.gz IBAGATGKRZLOCX-OAGGEKHMSA-N 2 2 364.494 0.406 20 0 FCADLP CCn1nnc(C)c1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277244 1212203447 /nfs/dbraw/zinc/20/34/47/1212203447.db2.gz IBAGATGKRZLOCX-OAGGEKHMSA-N 2 2 364.494 0.406 20 0 FCADLP COc1ncccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277358 1212204154 /nfs/dbraw/zinc/20/41/54/1212204154.db2.gz NRKJVFJHPIQLCK-ZACQAIPSSA-N 2 2 362.474 0.890 20 0 FCADLP COc1ncccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277358 1212204158 /nfs/dbraw/zinc/20/41/58/1212204158.db2.gz NRKJVFJHPIQLCK-ZACQAIPSSA-N 2 2 362.474 0.890 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111283144 1212240074 /nfs/dbraw/zinc/24/00/74/1212240074.db2.gz CWFVKONKTCMQQK-UNEWFSDZSA-N 2 2 359.474 0.961 20 0 FCADLP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001111283144 1212240075 /nfs/dbraw/zinc/24/00/75/1212240075.db2.gz CWFVKONKTCMQQK-UNEWFSDZSA-N 2 2 359.474 0.961 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)O1 ZINC000969071704 1212255488 /nfs/dbraw/zinc/25/54/88/1212255488.db2.gz BAGPBJVEICZFTF-FRFSOERESA-N 2 2 362.478 0.098 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cn(CC4CC4)nn3)C2)O1 ZINC000969071704 1212255494 /nfs/dbraw/zinc/25/54/94/1212255494.db2.gz BAGPBJVEICZFTF-FRFSOERESA-N 2 2 362.478 0.098 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001006911508 1212362875 /nfs/dbraw/zinc/36/28/75/1212362875.db2.gz VMTUNYSJMMCOOV-NUEKZKHPSA-N 2 2 370.457 0.692 20 0 FCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001007695964 1212556384 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/nfs/dbraw/zinc/13/37/52/1216133752.db2.gz PLRDBSXXOOBCQA-BZUAXINKSA-N 2 2 357.458 0.503 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001001170486 1216134315 /nfs/dbraw/zinc/13/43/15/1216134315.db2.gz AKNUCCALUFKQGB-OAGGEKHMSA-N 2 2 357.458 0.551 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001001170486 1216134317 /nfs/dbraw/zinc/13/43/17/1216134317.db2.gz AKNUCCALUFKQGB-OAGGEKHMSA-N 2 2 357.458 0.551 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cnn(C)n4)C[C@H]32)CC[N@@H+]1C ZINC001050051374 1216276429 /nfs/dbraw/zinc/27/64/29/1216276429.db2.gz RIZOBMSYVHFULU-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cnn(C)n4)C[C@H]32)CC[N@H+]1C ZINC001050051374 1216276441 /nfs/dbraw/zinc/27/64/41/1216276441.db2.gz RIZOBMSYVHFULU-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@H]32)CC[NH+]1C ZINC001050051374 1216276449 /nfs/dbraw/zinc/27/64/49/1216276449.db2.gz RIZOBMSYVHFULU-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@H]32)CC[NH+]1C ZINC001050051374 1216276459 /nfs/dbraw/zinc/27/64/59/1216276459.db2.gz RIZOBMSYVHFULU-DZJNRPSUSA-N 2 2 360.506 0.968 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cnn(C)c4)C[C@H]32)O1 ZINC001050076155 1216279762 /nfs/dbraw/zinc/27/97/62/1216279762.db2.gz UUTLPGLNPBPHER-BZZMCLGOSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]3C[NH+](Cc4cnn(C)c4)C[C@H]32)O1 ZINC001050076155 1216279773 /nfs/dbraw/zinc/27/97/73/1216279773.db2.gz UUTLPGLNPBPHER-BZZMCLGOSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]32)O1 ZINC001050076155 1216279790 /nfs/dbraw/zinc/27/97/90/1216279790.db2.gz UUTLPGLNPBPHER-BZZMCLGOSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]32)O1 ZINC001050076155 1216279804 /nfs/dbraw/zinc/27/98/04/1216279804.db2.gz UUTLPGLNPBPHER-BZZMCLGOSA-N 2 2 361.490 0.562 20 0 FCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001050142814 1216290834 /nfs/dbraw/zinc/29/08/34/1216290834.db2.gz GVOGSQLRCGSKGE-KLZNWCGWSA-N 2 2 359.474 0.535 20 0 FCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001050142814 1216290847 /nfs/dbraw/zinc/29/08/47/1216290847.db2.gz GVOGSQLRCGSKGE-KLZNWCGWSA-N 2 2 359.474 0.535 20 0 FCADLP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891588 1225663325 /nfs/dbraw/zinc/66/33/25/1225663325.db2.gz FLOSUHVOVNZGEK-PMPSAXMXSA-N 2 2 359.474 0.819 20 0 FCADLP CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001222891588 1225663327 /nfs/dbraw/zinc/66/33/27/1225663327.db2.gz FLOSUHVOVNZGEK-PMPSAXMXSA-N 2 2 359.474 0.819 20 0 FCADLP Cc1oncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834116 1216484175 /nfs/dbraw/zinc/48/41/75/1216484175.db2.gz HGYFKJBKDOBQGY-ARFHVFGLSA-N 2 2 359.430 0.837 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCO2)ncn1 ZINC001051834871 1216485658 /nfs/dbraw/zinc/48/56/58/1216485658.db2.gz YXOBOOAICDJHLC-GVDBMIGSSA-N 2 2 370.457 0.639 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)no1 ZINC001223040382 1225675252 /nfs/dbraw/zinc/67/52/52/1225675252.db2.gz XBAJKYAHQGCLKD-PBHICJAKSA-N 2 2 366.462 0.282 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3nc(N(C)C)no3)CC2)CC[N@@H+]1C ZINC001052392737 1216546923 /nfs/dbraw/zinc/54/69/23/1216546923.db2.gz BPMZEQIRCPIJRY-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3nc(N(C)C)no3)CC2)CC[N@H+]1C ZINC001052392737 1216546930 /nfs/dbraw/zinc/54/69/30/1216546930.db2.gz BPMZEQIRCPIJRY-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3nc(N(C)C)no3)CC2)CC[NH+]1C ZINC001052392737 1216546940 /nfs/dbraw/zinc/54/69/40/1216546940.db2.gz BPMZEQIRCPIJRY-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(N(C)C)no3)CC2)CC[NH+]1C ZINC001052392737 1216546947 /nfs/dbraw/zinc/54/69/47/1216546947.db2.gz BPMZEQIRCPIJRY-RBSFLKMASA-N 2 2 364.494 0.947 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)c[nH+]1 ZINC001069957109 1216866184 /nfs/dbraw/zinc/86/61/84/1216866184.db2.gz QOQZXSJFTDVNBI-CABCVRRESA-N 2 2 363.441 0.919 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2n2ccnn2)c[nH+]1 ZINC001069957109 1216866187 /nfs/dbraw/zinc/86/61/87/1216866187.db2.gz QOQZXSJFTDVNBI-CABCVRRESA-N 2 2 363.441 0.919 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962291 1216869184 /nfs/dbraw/zinc/86/91/84/1216869184.db2.gz OGNZGELGHPZQOO-UAGQMJEPSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001069962291 1216869188 /nfs/dbraw/zinc/86/91/88/1216869188.db2.gz OGNZGELGHPZQOO-UAGQMJEPSA-N 2 2 357.462 0.735 20 0 FCADLP O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001069962367 1216869516 /nfs/dbraw/zinc/86/95/16/1216869516.db2.gz RUOAUGYWRGYPNU-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1n1ccnn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001069962367 1216869518 /nfs/dbraw/zinc/86/95/18/1216869518.db2.gz RUOAUGYWRGYPNU-BBWFWOEESA-N 2 2 369.473 0.879 20 0 FCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962321 1216869686 /nfs/dbraw/zinc/86/96/86/1216869686.db2.gz POORVBJHOQQNMD-XHSDSOJGSA-N 2 2 357.462 0.735 20 0 FCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](n2ccnn2)C1 ZINC001069962321 1216869690 /nfs/dbraw/zinc/86/96/90/1216869690.db2.gz POORVBJHOQQNMD-XHSDSOJGSA-N 2 2 357.462 0.735 20 0 FCADLP CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069980288 1216881829 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/nfs/dbraw/zinc/90/54/37/1216905437.db2.gz PFLMSEPRRBZNPA-JQHSSLGASA-N 2 2 369.473 0.699 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070027051 1216905440 /nfs/dbraw/zinc/90/54/40/1216905440.db2.gz PFLMSEPRRBZNPA-JQHSSLGASA-N 2 2 369.473 0.699 20 0 FCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1n1ccnn1 ZINC001070027051 1216905442 /nfs/dbraw/zinc/90/54/42/1216905442.db2.gz PFLMSEPRRBZNPA-JQHSSLGASA-N 2 2 369.473 0.699 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001070026997 1216905537 /nfs/dbraw/zinc/90/55/37/1216905537.db2.gz MYQDQDNRLDIUND-KONPQCLYSA-N 2 2 369.473 0.957 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1n1ccnn1 ZINC001070026997 1216905541 /nfs/dbraw/zinc/90/55/41/1216905541.db2.gz MYQDQDNRLDIUND-KONPQCLYSA-N 2 2 369.473 0.957 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070027230 1216905974 /nfs/dbraw/zinc/90/59/74/1216905974.db2.gz TTYGRJIYCIROML-KQTLUZQSSA-N 2 2 361.425 0.516 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001070027230 1216905978 /nfs/dbraw/zinc/90/59/78/1216905978.db2.gz TTYGRJIYCIROML-KQTLUZQSSA-N 2 2 361.425 0.516 20 0 FCADLP COCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)n1 ZINC001223387522 1225702395 /nfs/dbraw/zinc/70/23/95/1225702395.db2.gz FWKLUZYEVBATPB-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP COCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)n1 ZINC001223387522 1225702400 /nfs/dbraw/zinc/70/24/00/1225702400.db2.gz FWKLUZYEVBATPB-CABCVRRESA-N 2 2 365.478 0.981 20 0 FCADLP CCOC(=O)CCC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276887685 1225702958 /nfs/dbraw/zinc/70/29/58/1225702958.db2.gz FHNZXMQOAHHRND-GOSISDBHSA-N 2 2 364.446 0.567 20 0 FCADLP CCOC(=O)CCC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001276887685 1225702963 /nfs/dbraw/zinc/70/29/63/1225702963.db2.gz 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2 358.446 0.904 20 0 FCADLP CN(C(=O)c1ccnc2[nH]c(=O)[nH]c21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669348 1218021233 /nfs/dbraw/zinc/02/12/33/1218021233.db2.gz KLOMNLHBTWGRGV-ZDUSSCGKSA-N 2 2 358.446 0.904 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)cn1 ZINC001096140364 1218089726 /nfs/dbraw/zinc/08/97/26/1218089726.db2.gz VTKINTIRRUDZGB-IKGGRYGDSA-N 2 2 374.489 0.012 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)cn1 ZINC001096140364 1218089730 /nfs/dbraw/zinc/08/97/30/1218089730.db2.gz VTKINTIRRUDZGB-IKGGRYGDSA-N 2 2 374.489 0.012 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001047386248 1218138555 /nfs/dbraw/zinc/13/85/55/1218138555.db2.gz PNBZYRHCHHDIQB-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001047386248 1218138559 /nfs/dbraw/zinc/13/85/59/1218138559.db2.gz PNBZYRHCHHDIQB-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001047386248 1218138562 /nfs/dbraw/zinc/13/85/62/1218138562.db2.gz PNBZYRHCHHDIQB-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ccc(C[NH+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001047386248 1218138566 /nfs/dbraw/zinc/13/85/66/1218138566.db2.gz PNBZYRHCHHDIQB-SIXLDLHFSA-N 2 2 362.474 0.434 20 0 FCADLP COc1ccnc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001096305570 1218231284 /nfs/dbraw/zinc/23/12/84/1218231284.db2.gz CUTAZWRDIOWBRN-HUUCEWRRSA-N 2 2 362.478 0.064 20 0 FCADLP COc1ccnc(N2CC[NH+](CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001096305570 1218231286 /nfs/dbraw/zinc/23/12/86/1218231286.db2.gz CUTAZWRDIOWBRN-HUUCEWRRSA-N 2 2 362.478 0.064 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048562619 1218287635 /nfs/dbraw/zinc/28/76/35/1218287635.db2.gz PLMBTVOMDMNYLP-BKQXGZDCSA-N 2 2 359.474 0.757 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048562619 1218287644 /nfs/dbraw/zinc/28/76/44/1218287644.db2.gz PLMBTVOMDMNYLP-BKQXGZDCSA-N 2 2 359.474 0.757 20 0 FCADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048826618 1218320728 /nfs/dbraw/zinc/32/07/28/1218320728.db2.gz KTJKYVIQCVUURN-MDMSPXHWSA-N 2 2 358.486 0.925 20 0 FCADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048826618 1218320734 /nfs/dbraw/zinc/32/07/34/1218320734.db2.gz KTJKYVIQCVUURN-MDMSPXHWSA-N 2 2 358.486 0.925 20 0 FCADLP COCc1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829756 1218323767 /nfs/dbraw/zinc/32/37/67/1218323767.db2.gz VZEYGFJLMZXTAJ-APIJFGDWSA-N 2 2 363.462 0.446 20 0 FCADLP COCc1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829756 1218323773 /nfs/dbraw/zinc/32/37/73/1218323773.db2.gz VZEYGFJLMZXTAJ-APIJFGDWSA-N 2 2 363.462 0.446 20 0 FCADLP COCc1noc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829756 1218323777 /nfs/dbraw/zinc/32/37/77/1218323777.db2.gz VZEYGFJLMZXTAJ-APIJFGDWSA-N 2 2 363.462 0.446 20 0 FCADLP COCc1noc(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)n1 ZINC001048829756 1218323785 /nfs/dbraw/zinc/32/37/85/1218323785.db2.gz VZEYGFJLMZXTAJ-APIJFGDWSA-N 2 2 363.462 0.446 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2C1 ZINC001049066912 1218373346 /nfs/dbraw/zinc/37/33/46/1218373346.db2.gz SYILBAUVIUOADU-YALNPMBYSA-N 2 2 354.458 0.848 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2C1 ZINC001049066912 1218373351 /nfs/dbraw/zinc/37/33/51/1218373351.db2.gz SYILBAUVIUOADU-YALNPMBYSA-N 2 2 354.458 0.848 20 0 FCADLP COCOc1cccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)c1 ZINC001277055893 1225815812 /nfs/dbraw/zinc/81/58/12/1225815812.db2.gz ZXUOINZAJACCBP-UHFFFAOYSA-N 2 2 363.458 0.644 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049383866 1218432487 /nfs/dbraw/zinc/43/24/87/1218432487.db2.gz FQLVHDGFUHBUPL-KFWWJZLASA-N 2 2 369.473 0.600 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049383866 1218432495 /nfs/dbraw/zinc/43/24/95/1218432495.db2.gz FQLVHDGFUHBUPL-KFWWJZLASA-N 2 2 369.473 0.600 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001096914165 1218639805 /nfs/dbraw/zinc/63/98/05/1218639805.db2.gz JMRVOSFKGCJZLN-ZSGPHXLJSA-N 2 2 371.441 0.775 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc3nonc3c2)C1 ZINC001096914165 1218639813 /nfs/dbraw/zinc/63/98/13/1218639813.db2.gz JMRVOSFKGCJZLN-ZSGPHXLJSA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc3nonc3c2)C1 ZINC001096914165 1218639821 /nfs/dbraw/zinc/63/98/21/1218639821.db2.gz JMRVOSFKGCJZLN-ZSGPHXLJSA-N 2 2 371.441 0.775 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc3nonc3c2)C1 ZINC001096914165 1218639827 /nfs/dbraw/zinc/63/98/27/1218639827.db2.gz JMRVOSFKGCJZLN-ZSGPHXLJSA-N 2 2 371.441 0.775 20 0 FCADLP Nc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)n1 ZINC001277122910 1225841372 /nfs/dbraw/zinc/84/13/72/1225841372.db2.gz JTZDEUDCSLFVSK-GOSISDBHSA-N 2 2 356.430 0.364 20 0 FCADLP Nc1cccc(C[N@H+]2CC[C@@]3(C2)CN(CCn2cc[nH+]c2)C(=O)CO3)n1 ZINC001277122910 1225841374 /nfs/dbraw/zinc/84/13/74/1225841374.db2.gz JTZDEUDCSLFVSK-GOSISDBHSA-N 2 2 356.430 0.364 20 0 FCADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)NC1CC1 ZINC001097315393 1218773793 /nfs/dbraw/zinc/77/37/93/1218773793.db2.gz XQRPCIUBPLBHIK-ZACQAIPSSA-N 2 2 360.502 0.863 20 0 FCADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2)NC1CC1 ZINC001097315393 1218773804 /nfs/dbraw/zinc/77/38/04/1218773804.db2.gz XQRPCIUBPLBHIK-ZACQAIPSSA-N 2 2 360.502 0.863 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C2CC2)O1 ZINC001097322867 1218777229 /nfs/dbraw/zinc/77/72/29/1218777229.db2.gz GHOYDVMAAQMXFK-FYNNLBNCSA-N 2 2 364.490 0.048 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)C2CC2)O1 ZINC001097322867 1218777234 /nfs/dbraw/zinc/77/72/34/1218777234.db2.gz GHOYDVMAAQMXFK-FYNNLBNCSA-N 2 2 364.490 0.048 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C2CC2)O1 ZINC001097322867 1218777241 /nfs/dbraw/zinc/77/72/41/1218777241.db2.gz GHOYDVMAAQMXFK-FYNNLBNCSA-N 2 2 364.490 0.048 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C2CC2)O1 ZINC001097322867 1218777254 /nfs/dbraw/zinc/77/72/54/1218777254.db2.gz GHOYDVMAAQMXFK-FYNNLBNCSA-N 2 2 364.490 0.048 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001097338665 1218783013 /nfs/dbraw/zinc/78/30/13/1218783013.db2.gz UHOOGYMIGFZLTJ-OYNZBZHQSA-N 2 2 367.409 0.703 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001097338665 1218783017 /nfs/dbraw/zinc/78/30/17/1218783017.db2.gz UHOOGYMIGFZLTJ-OYNZBZHQSA-N 2 2 367.409 0.703 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001097373161 1218795059 /nfs/dbraw/zinc/79/50/59/1218795059.db2.gz LJASROBXGSQJMX-IDCNUPLLSA-N 2 2 371.485 0.789 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001097373161 1218795066 /nfs/dbraw/zinc/79/50/66/1218795066.db2.gz LJASROBXGSQJMX-IDCNUPLLSA-N 2 2 371.485 0.789 20 0 FCADLP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]c4c2CCCC4)C3)C1=O ZINC001097555803 1218818425 /nfs/dbraw/zinc/81/84/25/1218818425.db2.gz XCLOJNPOKYBJGE-LFVTVUPYSA-N 2 2 371.485 0.714 20 0 FCADLP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2c[nH+]c4c2CCCC4)C3)C1=O ZINC001097555803 1218818427 /nfs/dbraw/zinc/81/84/27/1218818427.db2.gz XCLOJNPOKYBJGE-LFVTVUPYSA-N 2 2 371.485 0.714 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550942 1218820383 /nfs/dbraw/zinc/82/03/83/1218820383.db2.gz PPWASYYVLKOVKL-DMRZNYOFSA-N 2 2 367.409 0.475 20 0 FCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001097550942 1218820385 /nfs/dbraw/zinc/82/03/85/1218820385.db2.gz PPWASYYVLKOVKL-DMRZNYOFSA-N 2 2 367.409 0.475 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001052816680 1218865104 /nfs/dbraw/zinc/86/51/04/1218865104.db2.gz LAPYPRROUNHOJT-NFAWXSAZSA-N 2 2 357.462 0.646 20 0 FCADLP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001052816680 1218865105 /nfs/dbraw/zinc/86/51/05/1218865105.db2.gz LAPYPRROUNHOJT-NFAWXSAZSA-N 2 2 357.462 0.646 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001055064017 1218986036 /nfs/dbraw/zinc/98/60/36/1218986036.db2.gz KFSXHIGYUYYZIF-VDERGJSUSA-N 2 2 369.473 0.931 20 0 FCADLP Cn1ncc2c1nc[nH+]c2N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001055064017 1218986044 /nfs/dbraw/zinc/98/60/44/1218986044.db2.gz KFSXHIGYUYYZIF-VDERGJSUSA-N 2 2 369.473 0.931 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)C2 ZINC001227164337 1225864876 /nfs/dbraw/zinc/86/48/76/1225864876.db2.gz ASKCQQSMUAWPHM-BZUAXINKSA-N 2 2 364.490 0.849 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)CC2 ZINC001227164337 1225864878 /nfs/dbraw/zinc/86/48/78/1225864878.db2.gz ASKCQQSMUAWPHM-BZUAXINKSA-N 2 2 364.490 0.849 20 0 FCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1)C(=O)N(C)C ZINC001227211571 1225866188 /nfs/dbraw/zinc/86/61/88/1225866188.db2.gz GNIZWWQDBYEFHK-NWANDNLSSA-N 2 2 365.478 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001055610526 1219098541 /nfs/dbraw/zinc/09/85/41/1219098541.db2.gz KSFKUNRQMPRYQV-DNVCBOLYSA-N 2 2 359.474 0.770 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113408 1219119452 /nfs/dbraw/zinc/11/94/52/1219119452.db2.gz VVGQRZORFYLYRG-SRMUXQRQSA-N 2 2 354.414 0.476 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001098113408 1219119459 /nfs/dbraw/zinc/11/94/59/1219119459.db2.gz VVGQRZORFYLYRG-SRMUXQRQSA-N 2 2 354.414 0.476 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060477 1219120827 /nfs/dbraw/zinc/12/08/27/1219120827.db2.gz YTQUGBNDKRLQSN-BBWFWOEESA-N 2 2 364.494 0.386 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060477 1219120835 /nfs/dbraw/zinc/12/08/35/1219120835.db2.gz YTQUGBNDKRLQSN-BBWFWOEESA-N 2 2 364.494 0.386 20 0 FCADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077366 1219145643 /nfs/dbraw/zinc/14/56/43/1219145643.db2.gz CDGBIWSWQKVMAA-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077366 1219145647 /nfs/dbraw/zinc/14/56/47/1219145647.db2.gz CDGBIWSWQKVMAA-CVEARBPZSA-N 2 2 371.445 0.212 20 0 FCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096412 1219168410 /nfs/dbraw/zinc/16/84/10/1219168410.db2.gz YOAUCZLUYPBGBH-BBWFWOEESA-N 2 2 355.446 0.167 20 0 FCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096412 1219168416 /nfs/dbraw/zinc/16/84/16/1219168416.db2.gz YOAUCZLUYPBGBH-BBWFWOEESA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096412 1219168420 /nfs/dbraw/zinc/16/84/20/1219168420.db2.gz YOAUCZLUYPBGBH-BBWFWOEESA-N 2 2 355.446 0.167 20 0 FCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2n2ccnn2)C1 ZINC001070096412 1219168425 /nfs/dbraw/zinc/16/84/25/1219168425.db2.gz YOAUCZLUYPBGBH-BBWFWOEESA-N 2 2 355.446 0.167 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2n2ccnn2)on1 ZINC001070158950 1219246088 /nfs/dbraw/zinc/24/60/88/1219246088.db2.gz YCEMGCJDCGRAEX-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2n2ccnn2)on1 ZINC001070158950 1219246100 /nfs/dbraw/zinc/24/61/00/1219246100.db2.gz YCEMGCJDCGRAEX-OAGGEKHMSA-N 2 2 359.434 0.210 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070198052 1219287889 /nfs/dbraw/zinc/28/78/89/1219287889.db2.gz JRLPRMDGZZGZOC-CABCVRRESA-N 2 2 361.425 0.365 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001227663466 1225881386 /nfs/dbraw/zinc/88/13/86/1225881386.db2.gz UUHJPZFZZDBALG-HZPDHXFCSA-N 2 2 361.490 0.992 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]([NH2+]CCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070284748 1219348838 /nfs/dbraw/zinc/34/88/38/1219348838.db2.gz SKPKHVBEQBRVNB-MSOLQXFVSA-N 2 2 365.441 0.828 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001070337776 1219385868 /nfs/dbraw/zinc/38/58/68/1219385868.db2.gz KFQHSMZZJSZPKZ-OAGGEKHMSA-N 2 2 359.434 0.085 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001070354331 1219391049 /nfs/dbraw/zinc/39/10/49/1219391049.db2.gz CSZSJFLBMOSLJG-ZNMIVQPWSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001070354331 1219391054 /nfs/dbraw/zinc/39/10/54/1219391054.db2.gz CSZSJFLBMOSLJG-ZNMIVQPWSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001070354331 1219391057 /nfs/dbraw/zinc/39/10/57/1219391057.db2.gz CSZSJFLBMOSLJG-ZNMIVQPWSA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001070354331 1219391061 /nfs/dbraw/zinc/39/10/61/1219391061.db2.gz CSZSJFLBMOSLJG-ZNMIVQPWSA-N 2 2 364.494 0.776 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCCF)CC1 ZINC001070380623 1219406138 /nfs/dbraw/zinc/40/61/38/1219406138.db2.gz QGOJLUAUMMZZDK-KDOFPFPSSA-N 2 2 365.453 0.787 20 0 FCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070505798 1219443765 /nfs/dbraw/zinc/44/37/65/1219443765.db2.gz JBJNVCGRPJERPZ-XAYKYTGQSA-N 2 2 368.441 0.875 20 0 FCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001070558942 1219469619 /nfs/dbraw/zinc/46/96/19/1219469619.db2.gz ZBQZEGYSGKCVBD-UKPHBRMFSA-N 2 2 360.462 0.051 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]CCn2cccn2)c1 ZINC001070570546 1219474879 /nfs/dbraw/zinc/47/48/79/1219474879.db2.gz VYZRZTGIBQVPRD-DOTOQJQBSA-N 2 2 368.445 0.098 20 0 FCADLP Cn1cnc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2[NH2+]Cc2cccnc2)c1 ZINC001070570525 1219474948 /nfs/dbraw/zinc/47/49/48/1219474948.db2.gz UIPBXKGTJDVOEO-FUHWJXTLSA-N 2 2 365.441 0.796 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCF ZINC001070661883 1219512933 /nfs/dbraw/zinc/51/29/33/1219512933.db2.gz GQYBSJGAUPRMPR-FVQBIDKESA-N 2 2 360.437 0.733 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCF ZINC001070662165 1219513610 /nfs/dbraw/zinc/51/36/10/1219513610.db2.gz OELKTUCLIXRWPA-UKRRQHHQSA-N 2 2 364.425 0.637 20 0 FCADLP Cn1cncc1[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCn1cccn1 ZINC001070723917 1219543769 /nfs/dbraw/zinc/54/37/69/1219543769.db2.gz XVZZPVQNSPSJCA-HZPDHXFCSA-N 2 2 368.445 0.098 20 0 FCADLP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001070924057 1219581553 /nfs/dbraw/zinc/58/15/53/1219581553.db2.gz HBNJJEMJUCPUDV-OAGGEKHMSA-N 2 2 361.446 0.479 20 0 FCADLP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001070924057 1219581555 /nfs/dbraw/zinc/58/15/55/1219581555.db2.gz HBNJJEMJUCPUDV-OAGGEKHMSA-N 2 2 361.446 0.479 20 0 FCADLP CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001070924058 1219581690 /nfs/dbraw/zinc/58/16/90/1219581690.db2.gz HBNJJEMJUCPUDV-XHSDSOJGSA-N 2 2 361.446 0.479 20 0 FCADLP CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001070924058 1219581697 /nfs/dbraw/zinc/58/16/97/1219581697.db2.gz HBNJJEMJUCPUDV-XHSDSOJGSA-N 2 2 361.446 0.479 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001071016882 1219589522 /nfs/dbraw/zinc/58/95/22/1219589522.db2.gz VUWJAERPXBODKH-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001071016882 1219589524 /nfs/dbraw/zinc/58/95/24/1219589524.db2.gz VUWJAERPXBODKH-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[C@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)n1cc[nH+]c1 ZINC001071090116 1219603528 /nfs/dbraw/zinc/60/35/28/1219603528.db2.gz AEHUGJQIDCHKPD-SIIHOXLZSA-N 2 2 363.462 0.305 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071092002 1219604246 /nfs/dbraw/zinc/60/42/46/1219604246.db2.gz FCEUVTHKOWIZRS-VMGRFDJRSA-N 2 2 363.462 0.059 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071092002 1219604247 /nfs/dbraw/zinc/60/42/47/1219604247.db2.gz FCEUVTHKOWIZRS-VMGRFDJRSA-N 2 2 363.462 0.059 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+][C@H](C)C(N)=O)CC1 ZINC001071101157 1219607159 /nfs/dbraw/zinc/60/71/59/1219607159.db2.gz LEUDCNMCSQWCDA-MRRJBJDNSA-N 2 2 363.462 0.120 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001277284862 1225903451 /nfs/dbraw/zinc/90/34/51/1225903451.db2.gz ZFFYSFQSNWNQSK-HNNXBMFYSA-N 2 2 356.430 0.797 20 0 FCADLP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001072746394 1219620894 /nfs/dbraw/zinc/62/08/94/1219620894.db2.gz LLCHSOBUCVNOON-OWCLPIDISA-N 2 2 371.485 0.562 20 0 FCADLP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001072746394 1219620895 /nfs/dbraw/zinc/62/08/95/1219620895.db2.gz LLCHSOBUCVNOON-OWCLPIDISA-N 2 2 371.485 0.562 20 0 FCADLP Cc1ccnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850450 1219624496 /nfs/dbraw/zinc/62/44/96/1219624496.db2.gz YFRCIKSZBPRFRM-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ccnc(C[NH+]2CCC3(CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850450 1219624498 /nfs/dbraw/zinc/62/44/98/1219624498.db2.gz YFRCIKSZBPRFRM-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ccnc(C[N@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850450 1219624499 /nfs/dbraw/zinc/62/44/99/1219624499.db2.gz YFRCIKSZBPRFRM-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ccnc(C[N@@H+]2CCC3(CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C3)C2)n1 ZINC001072850450 1219624501 /nfs/dbraw/zinc/62/45/01/1219624501.db2.gz YFRCIKSZBPRFRM-HZPDHXFCSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001073611520 1219673680 /nfs/dbraw/zinc/67/36/80/1219673680.db2.gz ZIWFZOIPBZILCM-BPQIPLTHSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[NH+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001073611520 1219673682 /nfs/dbraw/zinc/67/36/82/1219673682.db2.gz ZIWFZOIPBZILCM-BPQIPLTHSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001073611520 1219673683 /nfs/dbraw/zinc/67/36/83/1219673683.db2.gz ZIWFZOIPBZILCM-BPQIPLTHSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@H+]2CCCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001073611520 1219673684 /nfs/dbraw/zinc/67/36/84/1219673684.db2.gz ZIWFZOIPBZILCM-BPQIPLTHSA-N 2 2 363.506 0.776 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2cc3n(n2)CCC3)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074711387 1219717886 /nfs/dbraw/zinc/71/78/86/1219717886.db2.gz ZEBFIUJQEFHFNL-IDCJVQTKSA-N 2 2 361.490 0.627 20 0 FCADLP C[C@H]1[C@@H]([NH2+]Cc2cc3n(n2)CCC3)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074711387 1219717889 /nfs/dbraw/zinc/71/78/89/1219717889.db2.gz ZEBFIUJQEFHFNL-IDCJVQTKSA-N 2 2 361.490 0.627 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230582 1219745030 /nfs/dbraw/zinc/74/50/30/1219745030.db2.gz KOUAGCMRNRJEAE-SHFYGJNESA-N 2 2 359.474 0.959 20 0 FCADLP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230582 1219745035 /nfs/dbraw/zinc/74/50/35/1219745035.db2.gz KOUAGCMRNRJEAE-SHFYGJNESA-N 2 2 359.474 0.959 20 0 FCADLP COc1coc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098394063 1219772214 /nfs/dbraw/zinc/77/22/14/1219772214.db2.gz JIJLCNXIJCNMCL-XOUADPBQSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C3)cc1=O ZINC001098394063 1219772218 /nfs/dbraw/zinc/77/22/18/1219772218.db2.gz JIJLCNXIJCNMCL-XOUADPBQSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)cc1=O ZINC001098394063 1219772221 /nfs/dbraw/zinc/77/22/21/1219772221.db2.gz JIJLCNXIJCNMCL-XOUADPBQSA-N 2 2 361.442 0.822 20 0 FCADLP COc1coc(C[NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)cc1=O ZINC001098394063 1219772224 /nfs/dbraw/zinc/77/22/24/1219772224.db2.gz JIJLCNXIJCNMCL-XOUADPBQSA-N 2 2 361.442 0.822 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001098401366 1219774218 /nfs/dbraw/zinc/77/42/18/1219774218.db2.gz ACAQLJWGNPCUJZ-ZACQAIPSSA-N 2 2 364.490 0.099 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001098401366 1219774223 /nfs/dbraw/zinc/77/42/23/1219774223.db2.gz ACAQLJWGNPCUJZ-ZACQAIPSSA-N 2 2 364.490 0.099 20 0 FCADLP NC(=O)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)cc1 ZINC001098490879 1219796483 /nfs/dbraw/zinc/79/64/83/1219796483.db2.gz HFEIFOZPNNQPKA-ZACQAIPSSA-N 2 2 353.426 0.904 20 0 FCADLP NC(=O)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)cc1 ZINC001098490879 1219796487 /nfs/dbraw/zinc/79/64/87/1219796487.db2.gz HFEIFOZPNNQPKA-ZACQAIPSSA-N 2 2 353.426 0.904 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cn1 ZINC001098773659 1219824138 /nfs/dbraw/zinc/82/41/38/1219824138.db2.gz LSAKLHQUILSSIQ-LNLFQRSKSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1ncc(C[NH+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cn1 ZINC001098773659 1219824141 /nfs/dbraw/zinc/82/41/41/1219824141.db2.gz LSAKLHQUILSSIQ-LNLFQRSKSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773659 1219824142 /nfs/dbraw/zinc/82/41/42/1219824142.db2.gz LSAKLHQUILSSIQ-LNLFQRSKSA-N 2 2 359.474 0.586 20 0 FCADLP Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cn1 ZINC001098773659 1219824146 /nfs/dbraw/zinc/82/41/46/1219824146.db2.gz LSAKLHQUILSSIQ-LNLFQRSKSA-N 2 2 359.474 0.586 20 0 FCADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001098841496 1219838126 /nfs/dbraw/zinc/83/81/26/1219838126.db2.gz KUOQICFHHWITRG-WDYCEAGBSA-N 2 2 358.490 0.628 20 0 FCADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001098841496 1219838129 /nfs/dbraw/zinc/83/81/29/1219838129.db2.gz KUOQICFHHWITRG-WDYCEAGBSA-N 2 2 358.490 0.628 20 0 FCADLP CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001098945985 1219871625 /nfs/dbraw/zinc/87/16/25/1219871625.db2.gz TUVUEEDGDMOROQ-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP CCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001098945985 1219871626 /nfs/dbraw/zinc/87/16/26/1219871626.db2.gz TUVUEEDGDMOROQ-YJBOKZPZSA-N 2 2 357.462 0.974 20 0 FCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750252721 1219890653 /nfs/dbraw/zinc/89/06/53/1219890653.db2.gz OBWDPHQXJZMOAU-AWEZNQCLSA-N 2 2 365.478 0.868 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029785 1219892785 /nfs/dbraw/zinc/89/27/85/1219892785.db2.gz MLNXGOWPOGBRMG-DOXZYTNZSA-N 2 2 359.474 0.471 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001099029785 1219892787 /nfs/dbraw/zinc/89/27/87/1219892787.db2.gz MLNXGOWPOGBRMG-DOXZYTNZSA-N 2 2 359.474 0.471 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H]2CCNC2=O)C1 ZINC001099470072 1220007068 /nfs/dbraw/zinc/00/70/68/1220007068.db2.gz OWBZRYMYMPVCPT-DOXZYTNZSA-N 2 2 359.474 0.460 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001099519848 1220021993 /nfs/dbraw/zinc/02/19/93/1220021993.db2.gz LTMBYOOWCZYILO-KHYOSLBOSA-N 2 2 369.473 0.950 20 0 FCADLP CCn1nncc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001099526348 1220024155 /nfs/dbraw/zinc/02/41/55/1220024155.db2.gz KWHQXUUFIDOLPJ-KXBFYZLASA-N 2 2 371.489 0.993 20 0 FCADLP CCn1cc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cn2cc[nH+]c2)C3)nn1 ZINC001099541687 1220027757 /nfs/dbraw/zinc/02/77/57/1220027757.db2.gz WKISPURRLMGIEY-YJBOKZPZSA-N 2 2 357.462 0.913 20 0 FCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801191 1225951186 /nfs/dbraw/zinc/95/11/86/1225951186.db2.gz UZLHNSGOVYWGGR-MRVWCRGKSA-N 2 2 364.450 0.203 20 0 FCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300340 1220277440 /nfs/dbraw/zinc/27/74/40/1220277440.db2.gz UJNCTLSYJRIPNR-GMBSWORKSA-N 2 2 361.490 0.887 20 0 FCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300340 1220277445 /nfs/dbraw/zinc/27/74/45/1220277445.db2.gz UJNCTLSYJRIPNR-GMBSWORKSA-N 2 2 361.490 0.887 20 0 FCADLP CCn1ncnc1C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342620 1220295186 /nfs/dbraw/zinc/29/51/86/1220295186.db2.gz DPWWWHRUTOYZGA-QAPCUYQASA-N 2 2 360.506 0.920 20 0 FCADLP CCn1ncnc1C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342620 1220295189 /nfs/dbraw/zinc/29/51/89/1220295189.db2.gz DPWWWHRUTOYZGA-QAPCUYQASA-N 2 2 360.506 0.920 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352224 1220298511 /nfs/dbraw/zinc/29/85/11/1220298511.db2.gz XLWPXFYUAFEXOW-LBTNJELSSA-N 2 2 361.494 0.801 20 0 FCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352224 1220298514 /nfs/dbraw/zinc/29/85/14/1220298514.db2.gz XLWPXFYUAFEXOW-LBTNJELSSA-N 2 2 361.494 0.801 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101367903 1220305528 /nfs/dbraw/zinc/30/55/28/1220305528.db2.gz RJSYYJFNOIOOCL-NNFUDEMPSA-N 2 2 362.474 0.313 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101367903 1220305530 /nfs/dbraw/zinc/30/55/30/1220305530.db2.gz RJSYYJFNOIOOCL-NNFUDEMPSA-N 2 2 362.474 0.313 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375122 1220308585 /nfs/dbraw/zinc/30/85/85/1220308585.db2.gz CPXYXNYKESJTDW-KHYOSLBOSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375122 1220308589 /nfs/dbraw/zinc/30/85/89/1220308589.db2.gz CPXYXNYKESJTDW-KHYOSLBOSA-N 2 2 361.490 0.988 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404842 1220325878 /nfs/dbraw/zinc/32/58/78/1220325878.db2.gz VAVZPLZAXYHWSS-GJYPPUQNSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101404842 1220325881 /nfs/dbraw/zinc/32/58/81/1220325881.db2.gz VAVZPLZAXYHWSS-GJYPPUQNSA-N 2 2 364.490 0.766 20 0 FCADLP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429906 1220339837 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C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001103360528 1220870500 /nfs/dbraw/zinc/87/05/00/1220870500.db2.gz JEEFKNUYDBYQBT-BFYDXBDKSA-N 2 2 366.506 0.189 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451944 1220885638 /nfs/dbraw/zinc/88/56/38/1220885638.db2.gz DAZDBWJKRGEEFR-KLHDSHLOSA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001103451944 1220885644 /nfs/dbraw/zinc/88/56/44/1220885644.db2.gz DAZDBWJKRGEEFR-KLHDSHLOSA-N 2 2 371.489 0.927 20 0 FCADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473864 1220888031 /nfs/dbraw/zinc/88/80/31/1220888031.db2.gz XHFFBAPZHZDIMK-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473864 1220888033 /nfs/dbraw/zinc/88/80/33/1220888033.db2.gz XHFFBAPZHZDIMK-INMHGKMJSA-N 2 2 360.462 0.284 20 0 FCADLP Cc1nnc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+]3CCOCC3)C2)o1 ZINC001103537059 1220897564 /nfs/dbraw/zinc/89/75/64/1220897564.db2.gz PTVVBHCUEGBLSA-GDBMZVCRSA-N 2 2 365.478 0.675 20 0 FCADLP Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+]3CCOCC3)C2)o1 ZINC001103537059 1220897565 /nfs/dbraw/zinc/89/75/65/1220897565.db2.gz PTVVBHCUEGBLSA-GDBMZVCRSA-N 2 2 365.478 0.675 20 0 FCADLP C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574278 1220905366 /nfs/dbraw/zinc/90/53/66/1220905366.db2.gz ILQZZCIAKMCFAO-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574278 1220905370 /nfs/dbraw/zinc/90/53/70/1220905370.db2.gz ILQZZCIAKMCFAO-OWCLPIDISA-N 2 2 361.490 0.943 20 0 FCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643941 1220925594 /nfs/dbraw/zinc/92/55/94/1220925594.db2.gz YCSLYIHFGMXAME-MGPQQGTHSA-N 2 2 360.466 0.322 20 0 FCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643941 1220925598 /nfs/dbraw/zinc/92/55/98/1220925598.db2.gz YCSLYIHFGMXAME-MGPQQGTHSA-N 2 2 360.466 0.322 20 0 FCADLP C[C@@H]1C[N@H+](Cc2nncn2C)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688023 1220940268 /nfs/dbraw/zinc/94/02/68/1220940268.db2.gz FZLZFCBCFVGHKA-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2nncn2C)C[C@H]1CCNC(=O)CCc1c[nH+]cn1C ZINC001103688023 1220940269 /nfs/dbraw/zinc/94/02/69/1220940269.db2.gz FZLZFCBCFVGHKA-HUUCEWRRSA-N 2 2 359.478 0.756 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103775568 1220971028 /nfs/dbraw/zinc/97/10/28/1220971028.db2.gz ILLBJPFQYAXXHN-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103775568 1220971032 /nfs/dbraw/zinc/97/10/32/1220971032.db2.gz ILLBJPFQYAXXHN-ZACQAIPSSA-N 2 2 361.490 0.968 20 0 FCADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103778797 1220972044 /nfs/dbraw/zinc/97/20/44/1220972044.db2.gz APCNPBIEAHIVEA-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103778797 1220972046 /nfs/dbraw/zinc/97/20/46/1220972046.db2.gz APCNPBIEAHIVEA-HZPDHXFCSA-N 2 2 365.478 0.110 20 0 FCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779681 1220972520 /nfs/dbraw/zinc/97/25/20/1220972520.db2.gz BHBCRTCAGXDKFW-KURKYZTESA-N 2 2 366.506 0.991 20 0 FCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779681 1220972524 /nfs/dbraw/zinc/97/25/24/1220972524.db2.gz BHBCRTCAGXDKFW-KURKYZTESA-N 2 2 366.506 0.991 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001111498483 1221024358 /nfs/dbraw/zinc/02/43/58/1221024358.db2.gz YNIPTSYEXREPCX-ZACQAIPSSA-N 2 2 359.474 0.911 20 0 FCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001111498483 1221024365 /nfs/dbraw/zinc/02/43/65/1221024365.db2.gz YNIPTSYEXREPCX-ZACQAIPSSA-N 2 2 359.474 0.911 20 0 FCADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001111788978 1221109802 /nfs/dbraw/zinc/10/98/02/1221109802.db2.gz RVVFEHZFWHEGFV-SGTLLEGYSA-N 2 2 370.413 0.342 20 0 FCADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001111788978 1221109804 /nfs/dbraw/zinc/10/98/04/1221109804.db2.gz RVVFEHZFWHEGFV-SGTLLEGYSA-N 2 2 370.413 0.342 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001111873905 1221145611 /nfs/dbraw/zinc/14/56/11/1221145611.db2.gz AWFFSUHAWJJBCT-ROYATCLZSA-N 2 2 373.501 0.973 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001111873905 1221145615 /nfs/dbraw/zinc/14/56/15/1221145615.db2.gz AWFFSUHAWJJBCT-ROYATCLZSA-N 2 2 373.501 0.973 20 0 FCADLP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902906 1221159412 /nfs/dbraw/zinc/15/94/12/1221159412.db2.gz XPVKWHGJLQAXEE-LPHOPBHVSA-N 2 2 361.490 0.613 20 0 FCADLP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111902906 1221159415 /nfs/dbraw/zinc/15/94/15/1221159415.db2.gz XPVKWHGJLQAXEE-LPHOPBHVSA-N 2 2 361.490 0.613 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)Nc1ccon1)C2 ZINC001111926136 1221172163 /nfs/dbraw/zinc/17/21/63/1221172163.db2.gz ZIZHVTOTMKFWGL-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)Nc1ccon1)C2 ZINC001111926136 1221172165 /nfs/dbraw/zinc/17/21/65/1221172165.db2.gz ZIZHVTOTMKFWGL-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccon1)C2 ZINC001111926136 1221172169 /nfs/dbraw/zinc/17/21/69/1221172169.db2.gz ZIZHVTOTMKFWGL-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccon1)C2 ZINC001111926136 1221172172 /nfs/dbraw/zinc/17/21/72/1221172172.db2.gz ZIZHVTOTMKFWGL-KSSFIOAISA-N 2 2 363.462 0.926 20 0 FCADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984520 1221193659 /nfs/dbraw/zinc/19/36/59/1221193659.db2.gz AWKNWBRMLYQSSN-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984520 1221193660 /nfs/dbraw/zinc/19/36/60/1221193660.db2.gz AWKNWBRMLYQSSN-LPHOPBHVSA-N 2 2 366.506 0.206 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111986271 1221195195 /nfs/dbraw/zinc/19/51/95/1221195195.db2.gz KDYPYVWLAIVLPI-MPGHIAIKSA-N 2 2 363.462 0.509 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001111986271 1221195198 /nfs/dbraw/zinc/19/51/98/1221195198.db2.gz KDYPYVWLAIVLPI-MPGHIAIKSA-N 2 2 363.462 0.509 20 0 FCADLP CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021426 1221202628 /nfs/dbraw/zinc/20/26/28/1221202628.db2.gz NDQYXTXCYNQWQC-PXNSSMCTSA-N 2 2 358.486 0.835 20 0 FCADLP CNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001112021426 1221202631 /nfs/dbraw/zinc/20/26/31/1221202631.db2.gz NDQYXTXCYNQWQC-PXNSSMCTSA-N 2 2 358.486 0.835 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001112021426 1221202634 /nfs/dbraw/zinc/20/26/34/1221202634.db2.gz NDQYXTXCYNQWQC-PXNSSMCTSA-N 2 2 358.486 0.835 20 0 FCADLP CNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001112021426 1221202639 /nfs/dbraw/zinc/20/26/39/1221202639.db2.gz NDQYXTXCYNQWQC-PXNSSMCTSA-N 2 2 358.486 0.835 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2)NC1CC1 ZINC001112386600 1221250804 /nfs/dbraw/zinc/25/08/04/1221250804.db2.gz BQIDIITYHUSJHS-LIRRHRJNSA-N 2 2 359.474 0.839 20 0 FCADLP O=C(C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2)NC1CC1 ZINC001112386600 1221250809 /nfs/dbraw/zinc/25/08/09/1221250809.db2.gz BQIDIITYHUSJHS-LIRRHRJNSA-N 2 2 359.474 0.839 20 0 FCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)C2 ZINC001112439325 1221259331 /nfs/dbraw/zinc/25/93/31/1221259331.db2.gz UGYFFGLOGHBVIN-NJSLBKSFSA-N 2 2 359.474 0.527 20 0 FCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C1)CC2 ZINC001112439325 1221259334 /nfs/dbraw/zinc/25/93/34/1221259334.db2.gz UGYFFGLOGHBVIN-NJSLBKSFSA-N 2 2 359.474 0.527 20 0 FCADLP C[NH+]1CCN(Cc2cccc(CNC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC001115974970 1221328516 /nfs/dbraw/zinc/32/85/16/1221328516.db2.gz GFTXZYUYCCUYCP-UHFFFAOYSA-N 2 2 360.502 0.773 20 0 FCADLP CN1CC[NH+](Cc2cccc(CNC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC001115974970 1221328519 /nfs/dbraw/zinc/32/85/19/1221328519.db2.gz GFTXZYUYCCUYCP-UHFFFAOYSA-N 2 2 360.502 0.773 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001116041934 1221331858 /nfs/dbraw/zinc/33/18/58/1221331858.db2.gz BYUXJRSZSITLBB-GOSISDBHSA-N 2 2 373.501 0.669 20 0 FCADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001116041934 1221331861 /nfs/dbraw/zinc/33/18/61/1221331861.db2.gz BYUXJRSZSITLBB-GOSISDBHSA-N 2 2 373.501 0.669 20 0 FCADLP Cn1cc([C@H](O)CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001116146798 1221338290 /nfs/dbraw/zinc/33/82/90/1221338290.db2.gz RDHQMEURSQZXBD-QGZVFWFLSA-N 2 2 364.494 0.311 20 0 FCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC001117060650 1221450995 /nfs/dbraw/zinc/45/09/95/1221450995.db2.gz DNFJNAGLAVJQBI-CQSZACIVSA-N 2 2 358.446 0.957 20 0 FCADLP CO[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC001117140481 1221478455 /nfs/dbraw/zinc/47/84/55/1221478455.db2.gz ISODOOOEMDRTLT-KRWDZBQOSA-N 2 2 366.506 0.299 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001230149384 1226058309 /nfs/dbraw/zinc/05/83/09/1226058309.db2.gz HKURDOVIIJGPFA-USXIJHARSA-N 2 2 364.494 0.300 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001118289183 1221751847 /nfs/dbraw/zinc/75/18/47/1221751847.db2.gz VPLUJBGIFZDEIM-UKRRQHHQSA-N 2 2 360.466 0.751 20 0 FCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001118289183 1221751855 /nfs/dbraw/zinc/75/18/55/1221751855.db2.gz VPLUJBGIFZDEIM-UKRRQHHQSA-N 2 2 360.466 0.751 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001119005953 1221854401 /nfs/dbraw/zinc/85/44/01/1221854401.db2.gz WDDKVIVYORNUSW-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP COC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001119005953 1221854403 /nfs/dbraw/zinc/85/44/03/1221854403.db2.gz WDDKVIVYORNUSW-MRXNPFEDSA-N 2 2 368.522 0.545 20 0 FCADLP O=C1C[C@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CN1CC[NH+]1CCOCC1 ZINC001120496265 1222095192 /nfs/dbraw/zinc/09/51/92/1222095192.db2.gz ZVUUBNANTVSKTJ-ROUUACIJSA-N 2 2 365.449 0.252 20 0 FCADLP C[NH2+]C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC001121954093 1222227554 /nfs/dbraw/zinc/22/75/54/1222227554.db2.gz YYDOPXNNLNKMGV-OAHLLOKOSA-N 2 2 374.489 0.540 20 0 FCADLP C[NH2+]C1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC001121954093 1222227564 /nfs/dbraw/zinc/22/75/64/1222227564.db2.gz YYDOPXNNLNKMGV-OAHLLOKOSA-N 2 2 374.489 0.540 20 0 FCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001122121735 1222242263 /nfs/dbraw/zinc/24/22/63/1222242263.db2.gz TUPVWBLQARBVOF-FUHWJXTLSA-N 2 2 354.454 0.872 20 0 FCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC12CC[NH+](Cc1c[nH]ccc1=O)CC2 ZINC001277527771 1226108832 /nfs/dbraw/zinc/10/88/32/1226108832.db2.gz JROWUNQDSAQRTH-MRXNPFEDSA-N 2 2 355.442 0.990 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC001123695791 1222351533 /nfs/dbraw/zinc/35/15/33/1222351533.db2.gz WOCORDYMAAGMCA-IAGOWNOFSA-N 2 2 360.506 0.856 20 0 FCADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC001123695791 1222351538 /nfs/dbraw/zinc/35/15/38/1222351538.db2.gz WOCORDYMAAGMCA-IAGOWNOFSA-N 2 2 360.506 0.856 20 0 FCADLP C[C@@]1(CO)C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761718 1222558178 /nfs/dbraw/zinc/55/81/78/1222558178.db2.gz LIKBEOPPRDGDMZ-PMACEKPBSA-N 2 2 364.486 0.963 20 0 FCADLP C[C@@]1(CO)C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[C@@H]1O ZINC001139761718 1222558183 /nfs/dbraw/zinc/55/81/83/1222558183.db2.gz LIKBEOPPRDGDMZ-PMACEKPBSA-N 2 2 364.486 0.963 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccnnc1)CC2 ZINC001139982823 1222562691 /nfs/dbraw/zinc/56/26/91/1222562691.db2.gz CNVBCKVRBXNUDX-UHFFFAOYSA-N 2 2 366.429 0.395 20 0 FCADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CC[N@H+](Cc1ccnnc1)CC2 ZINC001139982823 1222562694 /nfs/dbraw/zinc/56/26/94/1222562694.db2.gz CNVBCKVRBXNUDX-UHFFFAOYSA-N 2 2 366.429 0.395 20 0 FCADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccncc3O)CC2)C1 ZINC001140276293 1222581644 /nfs/dbraw/zinc/58/16/44/1222581644.db2.gz JEQFMNUDTPMIDG-UHFFFAOYSA-N 2 2 362.474 0.790 20 0 FCADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccncc3O)CC2)C1 ZINC001140276293 1222581646 /nfs/dbraw/zinc/58/16/46/1222581646.db2.gz JEQFMNUDTPMIDG-UHFFFAOYSA-N 2 2 362.474 0.790 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817434 1222591907 /nfs/dbraw/zinc/59/19/07/1222591907.db2.gz QUQBWYLXADJXFS-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817434 1222591912 /nfs/dbraw/zinc/59/19/12/1222591912.db2.gz QUQBWYLXADJXFS-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817434 1222591918 /nfs/dbraw/zinc/59/19/18/1222591918.db2.gz QUQBWYLXADJXFS-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000834817434 1222591923 /nfs/dbraw/zinc/59/19/23/1222591923.db2.gz QUQBWYLXADJXFS-PNBKFKSVSA-N 2 2 366.506 0.153 20 0 FCADLP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317106 1222621672 /nfs/dbraw/zinc/62/16/72/1222621672.db2.gz CMZQXVPTTZVVJZ-ZBFHGGJFSA-N 2 2 367.494 0.637 20 0 FCADLP CN(C)C(=O)O[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000836317106 1222621675 /nfs/dbraw/zinc/62/16/75/1222621675.db2.gz CMZQXVPTTZVVJZ-ZBFHGGJFSA-N 2 2 367.494 0.637 20 0 FCADLP CNC(=O)[C@]12C[N@H+](Cc3c[nH+]c(C)[nH]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001232461337 1226153303 /nfs/dbraw/zinc/15/33/03/1226153303.db2.gz IMLYVGRYAADFMY-CRAIPNDOSA-N 2 2 355.446 0.725 20 0 FCADLP CNC(=O)[C@]12C[N@@H+](Cc3c[nH+]c(C)[nH]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001232461337 1226153307 /nfs/dbraw/zinc/15/33/07/1226153307.db2.gz IMLYVGRYAADFMY-CRAIPNDOSA-N 2 2 355.446 0.725 20 0 FCADLP CC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000842195976 1222840253 /nfs/dbraw/zinc/84/02/53/1222840253.db2.gz RYFREAUXQBFZHB-UHFFFAOYSA-N 2 2 361.490 0.563 20 0 FCADLP CCCCCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477191 1222848036 /nfs/dbraw/zinc/84/80/36/1222848036.db2.gz NWKAAZOUYXVPGH-IAGOWNOFSA-N 2 2 365.522 0.903 20 0 FCADLP CCCCCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477191 1222848038 /nfs/dbraw/zinc/84/80/38/1222848038.db2.gz NWKAAZOUYXVPGH-IAGOWNOFSA-N 2 2 365.522 0.903 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C[C@@H]1C ZINC000843246872 1222862837 /nfs/dbraw/zinc/86/28/37/1222862837.db2.gz BUQMZHJDVQFJMT-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C[C@@H]1C ZINC000843246872 1222862838 /nfs/dbraw/zinc/86/28/38/1222862838.db2.gz BUQMZHJDVQFJMT-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C[C@@H]1C ZINC000843246872 1222862839 /nfs/dbraw/zinc/86/28/39/1222862839.db2.gz BUQMZHJDVQFJMT-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP COCC[NH+]1[C@H](C)CN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C[C@@H]1C ZINC000843246872 1222862840 /nfs/dbraw/zinc/86/28/40/1222862840.db2.gz BUQMZHJDVQFJMT-BBWFWOEESA-N 2 2 368.522 0.353 20 0 FCADLP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@@H]1C ZINC000843251375 1222864714 /nfs/dbraw/zinc/86/47/14/1222864714.db2.gz FEPGXXRSSBRDHU-BBWFWOEESA-N 2 2 364.490 0.027 20 0 FCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@@H]1C ZINC000843251375 1222864717 /nfs/dbraw/zinc/86/47/17/1222864717.db2.gz FEPGXXRSSBRDHU-BBWFWOEESA-N 2 2 364.490 0.027 20 0 FCADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC([C@H]([NH3+])C(=O)OC)CC3)c12 ZINC001155154379 1223027166 /nfs/dbraw/zinc/02/71/66/1223027166.db2.gz WHCVHGPFOCLWCF-ZDUSSCGKSA-N 2 2 361.402 0.851 20 0 FCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])Cc1ccnc2ccccc12 ZINC001158007524 1223086349 /nfs/dbraw/zinc/08/63/49/1223086349.db2.gz ULFCUOVKLIUIRQ-NVXWUHKLSA-N 2 2 356.426 0.468 20 0 FCADLP CCOC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1C(=O)OCC ZINC001158208969 1223090609 /nfs/dbraw/zinc/09/06/09/1223090609.db2.gz BJLKIEXKASWAHT-LLVKDONJSA-N 2 2 362.386 0.483 20 0 FCADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001158698687 1223105464 /nfs/dbraw/zinc/10/54/64/1223105464.db2.gz SAHJMQASQSGWGI-CWRNSKLLSA-N 2 2 360.506 0.360 20 0 FCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CCCN2c2ncccn2)CC1 ZINC001158758904 1223107292 /nfs/dbraw/zinc/10/72/92/1223107292.db2.gz FMZJHFQUWNGDEH-HRCADAONSA-N 2 2 356.474 0.388 20 0 FCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158858603 1223111460 /nfs/dbraw/zinc/11/14/60/1223111460.db2.gz YZBJICYIEFWFPD-AUUYWEPGSA-N 3 2 360.506 0.334 20 0 FCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158858603 1223111462 /nfs/dbraw/zinc/11/14/62/1223111462.db2.gz YZBJICYIEFWFPD-AUUYWEPGSA-N 3 2 360.506 0.334 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935541 1223113298 /nfs/dbraw/zinc/11/32/98/1223113298.db2.gz VQVPLXSSKMBGMA-ARFHVFGLSA-N 2 2 354.414 0.077 20 0 FCADLP Cn1cc([C@@H]2COC3(C2)CCN(C(=O)[C@]24C[NH2+]C[C@@H]2CC[NH2+]4)CC3)cn1 ZINC001158982160 1223114561 /nfs/dbraw/zinc/11/45/61/1223114561.db2.gz GNXIWJOSVATCLS-QOKNQOGYSA-N 2 2 359.474 0.237 20 0 FCADLP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C[C@H]21 ZINC001159117754 1223117725 /nfs/dbraw/zinc/11/77/25/1223117725.db2.gz VGOPAWWYPKMESB-LTIDMASMSA-N 2 2 360.458 0.258 20 0 FCADLP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159192475 1223120055 /nfs/dbraw/zinc/12/00/55/1223120055.db2.gz SVGRJKCSNZYEKZ-NVXWUHKLSA-N 3 2 359.474 0.077 20 0 FCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001159257330 1223122211 /nfs/dbraw/zinc/12/22/11/1223122211.db2.gz NMGPMDKAADQAEB-UJAMICLKSA-N 2 2 369.469 0.043 20 0 FCADLP Cc1cccc(N(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159341011 1223124877 /nfs/dbraw/zinc/12/48/77/1223124877.db2.gz ZJXGIDGTSOBPGU-HKUYNNGSSA-N 3 2 358.486 0.930 20 0 FCADLP [NH3+]C1(C(=O)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)CC[NH2+]CC1 ZINC001159403146 1223125839 /nfs/dbraw/zinc/12/58/39/1223125839.db2.gz HMMPKLDEGXVXSA-DYVFJYSZSA-N 2 2 364.421 0.155 20 0 FCADLP C[C@@H]1CCCN1C(=O)c1[nH]nc2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001159610837 1223131456 /nfs/dbraw/zinc/13/14/56/1223131456.db2.gz UYFSPCDXDIKZCQ-WBMJQRKESA-N 2 2 374.489 0.246 20 0 FCADLP [NH3+]C1(C(=O)N2CCC3(CC2)CN(c2ccccn2)CCO3)CC[NH2+]CC1 ZINC001159678308 1223133561 /nfs/dbraw/zinc/13/35/61/1223133561.db2.gz XHHHCGRHIVJLOI-UHFFFAOYSA-N 2 2 359.474 0.360 20 0 FCADLP CN1Cc2ccccc2CC2(CCN(C(=O)C3([NH3+])CC[NH2+]CC3)CC2)C1=O ZINC001159797934 1223136374 /nfs/dbraw/zinc/13/63/74/1223136374.db2.gz LDVYRIZQOGUDDV-UHFFFAOYSA-N 2 2 370.497 0.891 20 0 FCADLP CN1Cc2ccccc2CC2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)C1=O ZINC001159797544 1223136608 /nfs/dbraw/zinc/13/66/08/1223136608.db2.gz HURHIHWDHDXALI-IRXDYDNUSA-N 2 2 356.470 0.357 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856619 1223138331 /nfs/dbraw/zinc/13/83/31/1223138331.db2.gz VKPMCPZWYLMNEY-RDJZCZTQSA-N 3 2 362.449 0.571 20 0 FCADLP [NH3+]C1(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC[NH2+]CC1 ZINC001159856619 1223138333 /nfs/dbraw/zinc/13/83/33/1223138333.db2.gz VKPMCPZWYLMNEY-RDJZCZTQSA-N 3 2 362.449 0.571 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160018525 1223142772 /nfs/dbraw/zinc/14/27/72/1223142772.db2.gz SPIDYHLIRUDWQF-JJXSEGSLSA-N 2 2 361.446 0.050 20 0 FCADLP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001160228205 1223150877 /nfs/dbraw/zinc/15/08/77/1223150877.db2.gz PRCNIKMLXJDDNF-KFFAWSGCSA-N 2 2 357.458 0.244 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@H](COCc3cccnc3)C2)C1 ZINC001160237384 1223151610 /nfs/dbraw/zinc/15/16/10/1223151610.db2.gz XJNSKBSDDMBVOF-BBWFWOEESA-N 2 2 370.457 0.143 20 0 FCADLP CCN(CC)c1ccnc([C@H]2COCCN2C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001160326222 1223155058 /nfs/dbraw/zinc/15/50/58/1223155058.db2.gz PHTWUHWGZQREQD-LSDHHAIUSA-N 2 2 373.461 0.516 20 0 FCADLP O=C(N1CCC(N2C(=O)Cc3ccccc32)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160443327 1223160090 /nfs/dbraw/zinc/16/00/90/1223160090.db2.gz GEAZRCNWXXQWQB-YWZLYKJASA-N 2 2 354.454 0.518 20 0 FCADLP CCN(C)C(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478962 1223161205 /nfs/dbraw/zinc/16/12/05/1223161205.db2.gz GNBXUKGENPILHO-NVXWUHKLSA-N 2 2 366.506 0.322 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478962 1223161208 /nfs/dbraw/zinc/16/12/08/1223161208.db2.gz GNBXUKGENPILHO-NVXWUHKLSA-N 2 2 366.506 0.322 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478962 1223161213 /nfs/dbraw/zinc/16/12/13/1223161213.db2.gz GNBXUKGENPILHO-NVXWUHKLSA-N 2 2 366.506 0.322 20 0 FCADLP CCN(C)C(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478962 1223161216 /nfs/dbraw/zinc/16/12/16/1223161216.db2.gz GNBXUKGENPILHO-NVXWUHKLSA-N 2 2 366.506 0.322 20 0 FCADLP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160484066 1223162195 /nfs/dbraw/zinc/16/21/95/1223162195.db2.gz YAFGRQDQEDVLGI-SFHVURJKSA-N 3 2 357.502 0.643 20 0 FCADLP CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001160490436 1223162507 /nfs/dbraw/zinc/16/25/07/1223162507.db2.gz QLHWNTOMOADUPZ-UHFFFAOYSA-N 2 2 373.505 0.863 20 0 FCADLP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482781 1223162624 /nfs/dbraw/zinc/16/26/24/1223162624.db2.gz MJCWLXXMDHTKQS-AZUAARDMSA-N 2 2 371.529 0.842 20 0 FCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC001160503681 1223163356 /nfs/dbraw/zinc/16/33/56/1223163356.db2.gz BSTFVKXYAZEHIH-IRXDYDNUSA-N 2 2 360.458 0.499 20 0 FCADLP COC(=O)c1ccc(CN2CCN(C(=O)C3([NH3+])CC[NH2+]CC3)CC2)cc1 ZINC001160568610 1223165048 /nfs/dbraw/zinc/16/50/48/1223165048.db2.gz FTGVGIBEPIJBPI-UHFFFAOYSA-N 2 2 360.458 0.198 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001160695879 1223168644 /nfs/dbraw/zinc/16/86/44/1223168644.db2.gz IQBMVBKGEXOUKA-CQSZACIVSA-N 2 2 360.418 0.537 20 0 FCADLP CCn1nnc2c1[C@@H](C(=O)N1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)C[NH2+]C2 ZINC001160780883 1223172743 /nfs/dbraw/zinc/17/27/43/1223172743.db2.gz YXIYZCMDHGKUEN-GUXCAODWSA-N 2 2 366.469 0.484 20 0 FCADLP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160825503 1223175892 /nfs/dbraw/zinc/17/58/92/1223175892.db2.gz ARWZSJLQDPTZKX-GOEBONIOSA-N 2 2 357.414 0.671 20 0 FCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001160840822 1223176644 /nfs/dbraw/zinc/17/66/44/1223176644.db2.gz ZEEUAHRODKQMHB-LBPRGKRZSA-N 2 2 369.351 0.437 20 0 FCADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001161145254 1223186999 /nfs/dbraw/zinc/18/69/99/1223186999.db2.gz ABVSXAZSJIQSMN-ZWKOTPCHSA-N 2 2 374.485 0.166 20 0 FCADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001161145254 1223187000 /nfs/dbraw/zinc/18/70/00/1223187000.db2.gz ABVSXAZSJIQSMN-ZWKOTPCHSA-N 2 2 374.485 0.166 20 0 FCADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161145732 1223187059 /nfs/dbraw/zinc/18/70/59/1223187059.db2.gz ITMRYEIXMFVZNR-DLBZAZTESA-N 3 2 362.474 0.329 20 0 FCADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161145732 1223187061 /nfs/dbraw/zinc/18/70/61/1223187061.db2.gz ITMRYEIXMFVZNR-DLBZAZTESA-N 3 2 362.474 0.329 20 0 FCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](c2ccc(C)cc2)N2CCC([NH3+])CC2)C1 ZINC001161138628 1223187109 /nfs/dbraw/zinc/18/71/09/1223187109.db2.gz CCOMSOBQGNCPTM-FXAWDEMLSA-N 2 2 374.485 0.562 20 0 FCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)C1 ZINC001161138323 1223187270 /nfs/dbraw/zinc/18/72/70/1223187270.db2.gz RUVHTBPCLKKKRB-BEFAXECRSA-N 2 2 359.426 0.172 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001161237559 1223190961 /nfs/dbraw/zinc/19/09/61/1223190961.db2.gz MIPNQYXXKLDWHF-WMLDXEAASA-N 2 2 358.442 0.743 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001161237559 1223190964 /nfs/dbraw/zinc/19/09/64/1223190964.db2.gz MIPNQYXXKLDWHF-WMLDXEAASA-N 2 2 358.442 0.743 20 0 FCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161239130 1223191229 /nfs/dbraw/zinc/19/12/29/1223191229.db2.gz XDSMLKDCCFLXLR-RIFZZMRRSA-N 2 2 372.469 0.028 20 0 FCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001161239130 1223191232 /nfs/dbraw/zinc/19/12/32/1223191232.db2.gz XDSMLKDCCFLXLR-RIFZZMRRSA-N 2 2 372.469 0.028 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+](CC(=O)NC2CC2)CC1 ZINC001161252717 1223192113 /nfs/dbraw/zinc/19/21/13/1223192113.db2.gz DCDMHIJIVOOHJF-IAGOWNOFSA-N 2 2 371.485 0.941 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001161252717 1223192117 /nfs/dbraw/zinc/19/21/17/1223192117.db2.gz DCDMHIJIVOOHJF-IAGOWNOFSA-N 2 2 371.485 0.941 20 0 FCADLP O=C(Nc1ccccc1)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161246862 1223192155 /nfs/dbraw/zinc/19/21/55/1223192155.db2.gz QUQSWDYTXKIIQM-IFXJQAMLSA-N 2 2 357.458 0.751 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001161248771 1223192268 /nfs/dbraw/zinc/19/22/68/1223192268.db2.gz KQOCFHZXVSJXNK-ZACQAIPSSA-N 2 2 371.485 0.893 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1=CC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001161248771 1223192273 /nfs/dbraw/zinc/19/22/73/1223192273.db2.gz KQOCFHZXVSJXNK-ZACQAIPSSA-N 2 2 371.485 0.893 20 0 FCADLP COc1cc(N2CCN(C(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)CC2)cc[nH+]1 ZINC001161306777 1223194816 /nfs/dbraw/zinc/19/48/16/1223194816.db2.gz YXUWLSHKNIBTOT-AEFFLSMTSA-N 2 2 373.501 0.813 20 0 FCADLP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378831 1223197217 /nfs/dbraw/zinc/19/72/17/1223197217.db2.gz NHUOIOXZMIWVGD-MNEFBYGVSA-N 3 2 360.502 0.943 20 0 FCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H](Oc4ccccc4)C[NH2+]3)C2)CC1 ZINC001161377511 1223197353 /nfs/dbraw/zinc/19/73/53/1223197353.db2.gz GNPDFHJGOYXVCZ-WDSOQIARSA-N 3 2 358.486 0.820 20 0 FCADLP O=C(N1CCN(c2ccc3c(c2)CCC3=O)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161457267 1223199719 /nfs/dbraw/zinc/19/97/19/1223199719.db2.gz QMAZSHLPHAQTQS-YWZLYKJASA-N 2 2 354.454 0.416 20 0 FCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1 ZINC001161516613 1223203591 /nfs/dbraw/zinc/20/35/91/1223203591.db2.gz FJUKOQJUHDOUNM-SJORKVTESA-N 2 2 362.449 0.622 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161573751 1223204746 /nfs/dbraw/zinc/20/47/46/1223204746.db2.gz CMYOXSOLRXLXNM-BBWFWOEESA-N 2 2 369.473 0.440 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161573751 1223204750 /nfs/dbraw/zinc/20/47/50/1223204750.db2.gz CMYOXSOLRXLXNM-BBWFWOEESA-N 2 2 369.473 0.440 20 0 FCADLP CCOC(=O)c1c2c(nn1C)CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001161604926 1223205243 /nfs/dbraw/zinc/20/52/43/1223205243.db2.gz RPSBYBWTOWOGJK-AWEZNQCLSA-N 2 2 357.414 0.711 20 0 FCADLP COCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001163000208 1223223092 /nfs/dbraw/zinc/22/30/92/1223223092.db2.gz NSUZSBIOJMSHNR-MSOLQXFVSA-N 2 2 371.522 0.779 20 0 FCADLP CC(=O)N1CCC[C@@]2(C1)CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CCO2 ZINC001166330248 1223273858 /nfs/dbraw/zinc/27/38/58/1223273858.db2.gz WDWSNYRQIHLSAD-LJQANCHMSA-N 2 2 359.474 0.709 20 0 FCADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)[nH]1 ZINC001203238603 1223292790 /nfs/dbraw/zinc/29/27/90/1223292790.db2.gz OPLIAZTXOWWPMG-NVXWUHKLSA-N 2 2 363.506 0.891 20 0 FCADLP CCc1nc(C)c(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)[nH]1 ZINC001203238603 1223292801 /nfs/dbraw/zinc/29/28/01/1223292801.db2.gz OPLIAZTXOWWPMG-NVXWUHKLSA-N 2 2 363.506 0.891 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)[nH]1 ZINC001203238603 1223292804 /nfs/dbraw/zinc/29/28/04/1223292804.db2.gz OPLIAZTXOWWPMG-NVXWUHKLSA-N 2 2 363.506 0.891 20 0 FCADLP CCc1nc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)[nH]1 ZINC001203238603 1223292809 /nfs/dbraw/zinc/29/28/09/1223292809.db2.gz OPLIAZTXOWWPMG-NVXWUHKLSA-N 2 2 363.506 0.891 20 0 FCADLP Cc1[nH+]cc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)n1C ZINC001206792363 1223370754 /nfs/dbraw/zinc/37/07/54/1223370754.db2.gz AISNMDAIPWYVSW-MRXNPFEDSA-N 2 2 362.474 0.958 20 0 FCADLP COC(C[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1)OC ZINC001207253707 1223429789 /nfs/dbraw/zinc/42/97/89/1223429789.db2.gz SLXABWYFTDLDQJ-UHFFFAOYSA-N 2 2 369.506 0.641 20 0 FCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733961 1223474224 /nfs/dbraw/zinc/47/42/24/1223474224.db2.gz KVWZYAJSISYECL-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001207733961 1223474227 /nfs/dbraw/zinc/47/42/27/1223474227.db2.gz KVWZYAJSISYECL-BFYDXBDKSA-N 2 2 361.490 0.750 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001207750490 1223475929 /nfs/dbraw/zinc/47/59/29/1223475929.db2.gz SBKSPEKVNBCFHI-BZUAXINKSA-N 2 2 368.522 0.306 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001207750490 1223475932 /nfs/dbraw/zinc/47/59/32/1223475932.db2.gz SBKSPEKVNBCFHI-BZUAXINKSA-N 2 2 368.522 0.306 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001207750490 1223475935 /nfs/dbraw/zinc/47/59/35/1223475935.db2.gz SBKSPEKVNBCFHI-BZUAXINKSA-N 2 2 368.522 0.306 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCOC2)C[C@H]1C ZINC001207750490 1223475937 /nfs/dbraw/zinc/47/59/37/1223475937.db2.gz SBKSPEKVNBCFHI-BZUAXINKSA-N 2 2 368.522 0.306 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007775 1223505238 /nfs/dbraw/zinc/50/52/38/1223505238.db2.gz KVJZYZGQUWQNBG-GDBMZVCRSA-N 2 2 361.490 0.677 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208007775 1223505242 /nfs/dbraw/zinc/50/52/42/1223505242.db2.gz KVJZYZGQUWQNBG-GDBMZVCRSA-N 2 2 361.490 0.677 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250312 1223523658 /nfs/dbraw/zinc/52/36/58/1223523658.db2.gz FBJDHGYEFHBNEX-OWCLPIDISA-N 2 2 365.478 0.251 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250312 1223523662 /nfs/dbraw/zinc/52/36/62/1223523662.db2.gz FBJDHGYEFHBNEX-OWCLPIDISA-N 2 2 365.478 0.251 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252479 1223524842 /nfs/dbraw/zinc/52/48/42/1223524842.db2.gz NPFSPVBWXQPYPQ-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252479 1223524845 /nfs/dbraw/zinc/52/48/45/1223524845.db2.gz NPFSPVBWXQPYPQ-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208591506 1223561370 /nfs/dbraw/zinc/56/13/70/1223561370.db2.gz ZBRXRHMZKBLVTH-BFYDXBDKSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001208591506 1223561373 /nfs/dbraw/zinc/56/13/73/1223561373.db2.gz ZBRXRHMZKBLVTH-BFYDXBDKSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001208591506 1223561376 /nfs/dbraw/zinc/56/13/76/1223561376.db2.gz ZBRXRHMZKBLVTH-BFYDXBDKSA-N 2 2 362.474 0.817 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NCc2ccco2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001208591506 1223561378 /nfs/dbraw/zinc/56/13/78/1223561378.db2.gz ZBRXRHMZKBLVTH-BFYDXBDKSA-N 2 2 362.474 0.817 20 0 FCADLP CC[NH+]1CCC(C[N@@H+]2CCn3c(COCC(=O)N(C)C)nnc3C2)CC1 ZINC001208599325 1223562550 /nfs/dbraw/zinc/56/25/50/1223562550.db2.gz DVVNVFJQFBWLMA-UHFFFAOYSA-N 2 2 364.494 0.430 20 0 FCADLP CC[NH+]1CCC(C[N@H+]2CCn3c(COCC(=O)N(C)C)nnc3C2)CC1 ZINC001208599325 1223562555 /nfs/dbraw/zinc/56/25/55/1223562555.db2.gz DVVNVFJQFBWLMA-UHFFFAOYSA-N 2 2 364.494 0.430 20 0 FCADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208677135 1223569361 /nfs/dbraw/zinc/56/93/61/1223569361.db2.gz VNTOQWJEKDGKIK-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208677135 1223569367 /nfs/dbraw/zinc/56/93/67/1223569367.db2.gz VNTOQWJEKDGKIK-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208677135 1223569372 /nfs/dbraw/zinc/56/93/72/1223569372.db2.gz VNTOQWJEKDGKIK-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208677135 1223569376 /nfs/dbraw/zinc/56/93/76/1223569376.db2.gz VNTOQWJEKDGKIK-SJLPKXTDSA-N 2 2 360.502 0.734 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208677376 1223569727 /nfs/dbraw/zinc/56/97/27/1223569727.db2.gz ZJOCJVZIQBIVAU-SJLPKXTDSA-N 2 2 360.502 0.686 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001208677376 1223569736 /nfs/dbraw/zinc/56/97/36/1223569736.db2.gz ZJOCJVZIQBIVAU-SJLPKXTDSA-N 2 2 360.502 0.686 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001208677376 1223569739 /nfs/dbraw/zinc/56/97/39/1223569739.db2.gz ZJOCJVZIQBIVAU-SJLPKXTDSA-N 2 2 360.502 0.686 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001208677376 1223569742 /nfs/dbraw/zinc/56/97/42/1223569742.db2.gz ZJOCJVZIQBIVAU-SJLPKXTDSA-N 2 2 360.502 0.686 20 0 FCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208708517 1223572062 /nfs/dbraw/zinc/57/20/62/1223572062.db2.gz YIHWBXINVAJRGO-KFWWJZLASA-N 2 2 369.510 0.389 20 0 FCADLP Cc1cc(CN2C[C@@]3(CC2=O)COCC[N@H+](CCC[NH+](C)C)C3)n(C)n1 ZINC001276609108 1223592042 /nfs/dbraw/zinc/59/20/42/1223592042.db2.gz HBJOQYQSEMVKKI-IBGZPJMESA-N 2 2 363.506 0.731 20 0 FCADLP Cc1cc(CN2C[C@@]3(CC2=O)COCC[N@@H+](CCC[NH+](C)C)C3)n(C)n1 ZINC001276609108 1223592045 /nfs/dbraw/zinc/59/20/45/1223592045.db2.gz HBJOQYQSEMVKKI-IBGZPJMESA-N 2 2 363.506 0.731 20 0 FCADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142915 1223600741 /nfs/dbraw/zinc/60/07/41/1223600741.db2.gz YDEIWZKBYFBITI-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142915 1223600744 /nfs/dbraw/zinc/60/07/44/1223600744.db2.gz YDEIWZKBYFBITI-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142915 1223600746 /nfs/dbraw/zinc/60/07/46/1223600746.db2.gz YDEIWZKBYFBITI-KFWWJZLASA-N 2 2 367.494 0.141 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+](CC2COC(C)(C)OC2)CC3)CC1 ZINC001209195495 1223602696 /nfs/dbraw/zinc/60/26/96/1223602696.db2.gz FIVXCISHKFSYKO-UHFFFAOYSA-N 2 2 363.506 0.845 20 0 FCADLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+](CC2COC(C)(C)OC2)CC3)CC1 ZINC001209195495 1223602699 /nfs/dbraw/zinc/60/26/99/1223602699.db2.gz FIVXCISHKFSYKO-UHFFFAOYSA-N 2 2 363.506 0.845 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515572 1223627211 /nfs/dbraw/zinc/62/72/11/1223627211.db2.gz ZTKIIIGKHZUDSW-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515572 1223627215 /nfs/dbraw/zinc/62/72/15/1223627215.db2.gz ZTKIIIGKHZUDSW-IXDOHACOSA-N 2 2 368.522 0.402 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C ZINC001209626220 1223635198 /nfs/dbraw/zinc/63/51/98/1223635198.db2.gz PFOWCSUQTPVSIG-NVXWUHKLSA-N 2 2 361.490 0.476 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2c[nH+]ccc2N)CC3)CC1 ZINC001209735207 1223646258 /nfs/dbraw/zinc/64/62/58/1223646258.db2.gz XBEMBKHGGFKOKD-UHFFFAOYSA-N 3 2 353.474 0.637 20 0 FCADLP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2c[nH+]ccc2N)CC3)CC1 ZINC001209735207 1223646262 /nfs/dbraw/zinc/64/62/62/1223646262.db2.gz XBEMBKHGGFKOKD-UHFFFAOYSA-N 3 2 353.474 0.637 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC001210040114 1223662711 /nfs/dbraw/zinc/66/27/11/1223662711.db2.gz AHQBUIFKNMUWTG-UKRRQHHQSA-N 2 2 364.494 0.445 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC001210040114 1223662716 /nfs/dbraw/zinc/66/27/16/1223662716.db2.gz AHQBUIFKNMUWTG-UKRRQHHQSA-N 2 2 364.494 0.445 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC001210040114 1223662718 /nfs/dbraw/zinc/66/27/18/1223662718.db2.gz AHQBUIFKNMUWTG-UKRRQHHQSA-N 2 2 364.494 0.445 20 0 FCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC001210040114 1223662724 /nfs/dbraw/zinc/66/27/24/1223662724.db2.gz AHQBUIFKNMUWTG-UKRRQHHQSA-N 2 2 364.494 0.445 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210283104 1223680574 /nfs/dbraw/zinc/68/05/74/1223680574.db2.gz FXIBNUXMUXQPLE-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210283104 1223680576 /nfs/dbraw/zinc/68/05/76/1223680576.db2.gz FXIBNUXMUXQPLE-BFYDXBDKSA-N 2 2 363.506 0.950 20 0 FCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CCCC1)CC2 ZINC001276683231 1223686150 /nfs/dbraw/zinc/68/61/50/1223686150.db2.gz ICWWAOVCBNTRDN-MRXNPFEDSA-N 2 2 359.474 0.761 20 0 FCADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717873 1223704801 /nfs/dbraw/zinc/70/48/01/1223704801.db2.gz MEGPVOJWGYJNLR-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717873 1223704803 /nfs/dbraw/zinc/70/48/03/1223704803.db2.gz MEGPVOJWGYJNLR-BPQIPLTHSA-N 2 2 364.490 0.985 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031574 1223720121 /nfs/dbraw/zinc/72/01/21/1223720121.db2.gz JMYBUGWIQUELAY-HUUCEWRRSA-N 2 2 367.494 0.001 20 0 FCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031574 1223720123 /nfs/dbraw/zinc/72/01/23/1223720123.db2.gz JMYBUGWIQUELAY-HUUCEWRRSA-N 2 2 367.494 0.001 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039662 1223720709 /nfs/dbraw/zinc/72/07/09/1223720709.db2.gz SUSXTXCFTVXHMB-IJEWVQPXSA-N 2 2 365.478 0.169 20 0 FCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039662 1223720712 /nfs/dbraw/zinc/72/07/12/1223720712.db2.gz SUSXTXCFTVXHMB-IJEWVQPXSA-N 2 2 365.478 0.169 20 0 FCADLP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211053756 1223721507 /nfs/dbraw/zinc/72/15/07/1223721507.db2.gz BLXAJAHDSSPYOL-BRWVUGGUSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211053756 1223721512 /nfs/dbraw/zinc/72/15/12/1223721512.db2.gz BLXAJAHDSSPYOL-BRWVUGGUSA-N 2 2 368.522 0.258 20 0 FCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046386 1223721656 /nfs/dbraw/zinc/72/16/56/1223721656.db2.gz NVGIDIXPWRGQIX-IXDOHACOSA-N 2 2 368.522 0.163 20 0 FCADLP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046386 1223721658 /nfs/dbraw/zinc/72/16/58/1223721658.db2.gz NVGIDIXPWRGQIX-IXDOHACOSA-N 2 2 368.522 0.163 20 0 FCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211449962 1223743823 /nfs/dbraw/zinc/74/38/23/1223743823.db2.gz CSSVZXKPJGKACO-HZPDHXFCSA-N 2 2 364.494 0.807 20 0 FCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211449962 1223743826 /nfs/dbraw/zinc/74/38/26/1223743826.db2.gz CSSVZXKPJGKACO-HZPDHXFCSA-N 2 2 364.494 0.807 20 0 FCADLP CCOC1CC(C[N@@H+]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)[C@H](OC)C2)C1 ZINC001213203665 1223767090 /nfs/dbraw/zinc/76/70/90/1223767090.db2.gz WEPFCJMZNQRBIX-BHUNQDJPSA-N 2 2 364.490 0.983 20 0 FCADLP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)[C@H](OC)C2)C1 ZINC001213203665 1223767092 /nfs/dbraw/zinc/76/70/92/1223767092.db2.gz WEPFCJMZNQRBIX-BHUNQDJPSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213219319 1223770047 /nfs/dbraw/zinc/77/00/47/1223770047.db2.gz NBEOLCXKYZDJDX-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001213219319 1223770051 /nfs/dbraw/zinc/77/00/51/1223770051.db2.gz NBEOLCXKYZDJDX-HZPDHXFCSA-N 2 2 366.506 0.299 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219113 1223770175 /nfs/dbraw/zinc/77/01/75/1223770175.db2.gz AXFIUBMENLUZBY-BRWVUGGUSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC001213219113 1223770178 /nfs/dbraw/zinc/77/01/78/1223770178.db2.gz AXFIUBMENLUZBY-BRWVUGGUSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001213219113 1223770182 /nfs/dbraw/zinc/77/01/82/1223770182.db2.gz AXFIUBMENLUZBY-BRWVUGGUSA-N 2 2 366.506 0.345 20 0 FCADLP CO[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001213219113 1223770185 /nfs/dbraw/zinc/77/01/85/1223770185.db2.gz AXFIUBMENLUZBY-BRWVUGGUSA-N 2 2 366.506 0.345 20 0 FCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322873 1223784166 /nfs/dbraw/zinc/78/41/66/1223784166.db2.gz VBYYLJRQCACMAJ-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322873 1223784167 /nfs/dbraw/zinc/78/41/67/1223784167.db2.gz VBYYLJRQCACMAJ-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322873 1223784171 /nfs/dbraw/zinc/78/41/71/1223784171.db2.gz VBYYLJRQCACMAJ-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2OC)C1 ZINC001213322873 1223784172 /nfs/dbraw/zinc/78/41/72/1223784172.db2.gz VBYYLJRQCACMAJ-BRWVUGGUSA-N 2 2 368.522 0.448 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001213370569 1223791470 /nfs/dbraw/zinc/79/14/70/1223791470.db2.gz JIUIPFMCKMWCMH-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001213370569 1223791472 /nfs/dbraw/zinc/79/14/72/1223791472.db2.gz JIUIPFMCKMWCMH-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CO[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001213370569 1223791475 /nfs/dbraw/zinc/79/14/75/1223791475.db2.gz JIUIPFMCKMWCMH-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CO[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001213370569 1223791476 /nfs/dbraw/zinc/79/14/76/1223791476.db2.gz JIUIPFMCKMWCMH-GVDBMIGSSA-N 2 2 363.462 0.072 20 0 FCADLP CCCCC[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374755 1223791568 /nfs/dbraw/zinc/79/15/68/1223791568.db2.gz VZOKPBHVBXCTOF-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCCCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374755 1223791572 /nfs/dbraw/zinc/79/15/72/1223791572.db2.gz VZOKPBHVBXCTOF-BRWVUGGUSA-N 2 2 370.538 0.839 20 0 FCADLP CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438360 1223798691 /nfs/dbraw/zinc/79/86/91/1223798691.db2.gz WBQLTAJWQLJINW-USXIJHARSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438360 1223798693 /nfs/dbraw/zinc/79/86/93/1223798693.db2.gz WBQLTAJWQLJINW-USXIJHARSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438360 1223798695 /nfs/dbraw/zinc/79/86/95/1223798695.db2.gz WBQLTAJWQLJINW-USXIJHARSA-N 2 2 366.506 0.297 20 0 FCADLP CCN(C(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1)C1CC1 ZINC001213438360 1223798696 /nfs/dbraw/zinc/79/86/96/1223798696.db2.gz WBQLTAJWQLJINW-USXIJHARSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001213442380 1223799475 /nfs/dbraw/zinc/79/94/75/1223799475.db2.gz OUMMALWGFSKKSD-HZPDHXFCSA-N 2 2 366.506 0.060 20 0 FCADLP CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001213442380 1223799477 /nfs/dbraw/zinc/79/94/77/1223799477.db2.gz OUMMALWGFSKKSD-HZPDHXFCSA-N 2 2 366.506 0.060 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001213442380 1223799479 /nfs/dbraw/zinc/79/94/79/1223799479.db2.gz OUMMALWGFSKKSD-HZPDHXFCSA-N 2 2 366.506 0.060 20 0 FCADLP CO[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001213442380 1223799482 /nfs/dbraw/zinc/79/94/82/1223799482.db2.gz OUMMALWGFSKKSD-HZPDHXFCSA-N 2 2 366.506 0.060 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276702251 1223804607 /nfs/dbraw/zinc/80/46/07/1223804607.db2.gz ZFXJXIBKVYZHBS-SFHVURJKSA-N 2 2 362.430 0.676 20 0 FCADLP CC(C)OC(=O)CN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001276702251 1223804608 /nfs/dbraw/zinc/80/46/08/1223804608.db2.gz ZFXJXIBKVYZHBS-SFHVURJKSA-N 2 2 362.430 0.676 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001213499891 1223805792 /nfs/dbraw/zinc/80/57/92/1223805792.db2.gz FPUIUBWLUYOJHV-DJIMGWMZSA-N 2 2 360.462 0.626 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001213499891 1223805794 /nfs/dbraw/zinc/80/57/94/1223805794.db2.gz FPUIUBWLUYOJHV-DJIMGWMZSA-N 2 2 360.462 0.626 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598166 1223820487 /nfs/dbraw/zinc/82/04/87/1223820487.db2.gz AICLOVAWSVNKEW-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213598166 1223820490 /nfs/dbraw/zinc/82/04/90/1223820490.db2.gz AICLOVAWSVNKEW-USXIJHARSA-N 2 2 370.538 0.837 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213599290 1223820620 /nfs/dbraw/zinc/82/06/20/1223820620.db2.gz ZBFIZHOXVHSAGD-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001213599290 1223820621 /nfs/dbraw/zinc/82/06/21/1223820621.db2.gz ZBFIZHOXVHSAGD-IXDOHACOSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728383 1223839456 /nfs/dbraw/zinc/83/94/56/1223839456.db2.gz INSVJTQCGKYPLR-BZUAXINKSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213728383 1223839459 /nfs/dbraw/zinc/83/94/59/1223839459.db2.gz INSVJTQCGKYPLR-BZUAXINKSA-N 2 2 366.506 0.153 20 0 FCADLP CO[C@H](C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1)C1CCC1 ZINC001213802192 1223852117 /nfs/dbraw/zinc/85/21/17/1223852117.db2.gz NNKOKVAVOOQJMY-KZNAEPCWSA-N 2 2 364.490 0.983 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863387 1223863632 /nfs/dbraw/zinc/86/36/32/1223863632.db2.gz LGQJOQNSWDCMMQ-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863387 1223863635 /nfs/dbraw/zinc/86/36/35/1223863635.db2.gz LGQJOQNSWDCMMQ-KBRIMQKVSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863120 1223864135 /nfs/dbraw/zinc/86/41/35/1223864135.db2.gz DRTVLRPNXFKQOD-YSVLISHTSA-N 2 2 366.462 0.267 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863120 1223864136 /nfs/dbraw/zinc/86/41/36/1223864136.db2.gz DRTVLRPNXFKQOD-YSVLISHTSA-N 2 2 366.462 0.267 20 0 FCADLP CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868299 1223864666 /nfs/dbraw/zinc/86/46/66/1223864666.db2.gz MVOLMQNKBDXGCH-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868299 1223864667 /nfs/dbraw/zinc/86/46/67/1223864667.db2.gz MVOLMQNKBDXGCH-IAGOWNOFSA-N 2 2 368.522 0.546 20 0 FCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916844 1223871806 /nfs/dbraw/zinc/87/18/06/1223871806.db2.gz NAWDMGKRGUTXAB-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916844 1223871809 /nfs/dbraw/zinc/87/18/09/1223871809.db2.gz NAWDMGKRGUTXAB-GVDBMIGSSA-N 2 2 368.522 0.593 20 0 FCADLP Cc1nnc(C[N@@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)o1 ZINC001276713015 1223925092 /nfs/dbraw/zinc/92/50/92/1223925092.db2.gz VJQZNEOZKBGPPQ-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP Cc1nnc(C[N@H+]2CCC[C@]3(CC(=O)N(CCn4cc[nH+]c4)C3=O)C2)o1 ZINC001276713015 1223925095 /nfs/dbraw/zinc/92/50/95/1223925095.db2.gz VJQZNEOZKBGPPQ-KRWDZBQOSA-N 2 2 358.402 0.616 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001214757075 1223939043 /nfs/dbraw/zinc/93/90/43/1223939043.db2.gz AKAVPHJXHJCFEU-HZSPNIEDSA-N 2 2 370.473 0.752 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214812017 1223944910 /nfs/dbraw/zinc/94/49/10/1223944910.db2.gz OKQQZJBPVOANAT-RHSMWYFYSA-N 2 2 370.457 0.490 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC001214812017 1223944911 /nfs/dbraw/zinc/94/49/11/1223944911.db2.gz OKQQZJBPVOANAT-RHSMWYFYSA-N 2 2 370.457 0.490 20 0 FCADLP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214987989 1223961860 /nfs/dbraw/zinc/96/18/60/1223961860.db2.gz DTZXVETXWJELHZ-HLLBOEOZSA-N 2 2 361.490 0.750 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CC(=O)Nc1ccon1 ZINC001215199915 1223981790 /nfs/dbraw/zinc/98/17/90/1223981790.db2.gz LHQDMBTUHIINPR-CHWSQXEVSA-N 2 2 360.418 0.416 20 0 FCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCC)C1 ZINC001215226484 1223983907 /nfs/dbraw/zinc/98/39/07/1223983907.db2.gz KNLOZFZRNPAWQG-BRWVUGGUSA-N 2 2 368.522 0.450 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215385787 1223995125 /nfs/dbraw/zinc/99/51/25/1223995125.db2.gz ZYNGFNSTANKFFZ-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215385787 1223995127 /nfs/dbraw/zinc/99/51/27/1223995127.db2.gz ZYNGFNSTANKFFZ-DJIMGWMZSA-N 2 2 366.506 0.155 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001215455696 1224000704 /nfs/dbraw/zinc/00/07/04/1224000704.db2.gz CFANXSHCTDGWMH-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001215455696 1224000708 /nfs/dbraw/zinc/00/07/08/1224000708.db2.gz CFANXSHCTDGWMH-XOKHGSTOSA-N 2 2 365.478 0.320 20 0 FCADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001215742467 1224014975 /nfs/dbraw/zinc/01/49/75/1224014975.db2.gz NIGOAZOQZXVFCE-IXDOHACOSA-N 2 2 369.506 0.075 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855679 1224020699 /nfs/dbraw/zinc/02/06/99/1224020699.db2.gz VRQFIAZDEBZOKM-IIAWOOMASA-N 2 2 364.494 0.732 20 0 FCADLP CC(C)NC(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855679 1224020701 /nfs/dbraw/zinc/02/07/01/1224020701.db2.gz VRQFIAZDEBZOKM-IIAWOOMASA-N 2 2 364.494 0.732 20 0 FCADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934282 1224025027 /nfs/dbraw/zinc/02/50/27/1224025027.db2.gz LYOOHQWSULEUIU-RHSMWYFYSA-N 2 2 365.478 0.817 20 0 FCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001216065494 1224032566 /nfs/dbraw/zinc/03/25/66/1224032566.db2.gz QRNKQIAEQOVVTP-IUODEOHRSA-N 2 2 357.414 0.733 20 0 FCADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(=O)N(C)C ZINC001216366869 1224047034 /nfs/dbraw/zinc/04/70/34/1224047034.db2.gz UJVUYEGFXYTQGC-JKIFEVAISA-N 2 2 370.457 0.794 20 0 FCADLP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216397222 1224048833 /nfs/dbraw/zinc/04/88/33/1224048833.db2.gz NPJSVZPTEDGNIH-UKRRQHHQSA-N 2 2 365.478 0.277 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216858870 1224079746 /nfs/dbraw/zinc/07/97/46/1224079746.db2.gz CHJQMCJSDNMJGV-QBIMZIAESA-N 2 2 359.474 0.399 20 0 FCADLP c1cc(-c2noc(-c3nnn4c3C[NH2+]CC4)n2)ccc1C[NH+]1CCOCC1 ZINC001217217108 1224094665 /nfs/dbraw/zinc/09/46/65/1224094665.db2.gz LSANZCYFHYLMOA-UHFFFAOYSA-N 2 2 367.413 0.931 20 0 FCADLP 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1251766672 /nfs/dbraw/zinc/76/66/72/1251766672.db2.gz TYRQASPDXMDCME-OWCLPIDISA-N 2 2 363.510 0.753 20 0 FCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH+](Cc2nnnn2C)CC1 ZINC000998020030 1251766680 /nfs/dbraw/zinc/76/66/80/1251766680.db2.gz TYRQASPDXMDCME-OWCLPIDISA-N 2 2 363.510 0.753 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1([NH+](C)C)CCC1 ZINC000998629376 1251932280 /nfs/dbraw/zinc/93/22/80/1251932280.db2.gz ZMUWHFFLWQTGDK-KBMXLJTQSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC000998633456 1251935480 /nfs/dbraw/zinc/93/54/80/1251935480.db2.gz LLPFTNAYRBAWSX-VKZRIFJHSA-N 2 2 359.474 0.551 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2 ZINC000999733295 1252181636 /nfs/dbraw/zinc/18/16/36/1252181636.db2.gz DRFKEEHJILZPAE-ILXRZTDVSA-N 2 2 357.458 0.829 20 0 FCADLP COCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001001670465 1252288107 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/nfs/dbraw/zinc/27/60/25/1253276025.db2.gz ZEWZGHOKJBGKFU-OAGGEKHMSA-N 2 2 357.458 0.760 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCC(F)(F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001329231791 1265717142 /nfs/dbraw/zinc/71/71/42/1265717142.db2.gz RSGGZWLUSKEAGL-DZGCQCFKSA-N 2 2 372.460 0.917 20 0 FCADLP CN(C(=O)C(=O)N[C@H]1CCC(F)(F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001329231791 1265717144 /nfs/dbraw/zinc/71/71/44/1265717144.db2.gz RSGGZWLUSKEAGL-DZGCQCFKSA-N 2 2 372.460 0.917 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001004371012 1253304175 /nfs/dbraw/zinc/30/41/75/1253304175.db2.gz LLPFTNAYRBAWSX-NYCLONFESA-N 2 2 359.474 0.551 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001004374866 1253307454 /nfs/dbraw/zinc/30/74/54/1253307454.db2.gz FPWVEJXMWPHGRJ-MXASKKJJSA-N 2 2 359.474 0.695 20 0 FCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001004374866 1253307467 /nfs/dbraw/zinc/30/74/67/1253307467.db2.gz FPWVEJXMWPHGRJ-MXASKKJJSA-N 2 2 359.474 0.695 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC[N@@H+]1C ZINC001005525322 1253573275 /nfs/dbraw/zinc/57/32/75/1253573275.db2.gz OJQBDXBNNNMLPK-JKJDWNRSSA-N 2 2 359.474 0.931 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]cc[nH+]2)C3)CC[N@H+]1C ZINC001005525322 1253573281 /nfs/dbraw/zinc/57/32/81/1253573281.db2.gz OJQBDXBNNNMLPK-JKJDWNRSSA-N 2 2 359.474 0.931 20 0 FCADLP COCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005754784 1253624927 /nfs/dbraw/zinc/62/49/27/1253624927.db2.gz AIFVXXPYNLOJGG-MSOLQXFVSA-N 2 2 369.506 0.435 20 0 FCADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(=O)n3nc(N)[nH]c3n2)[nH+]1 ZINC001329483881 1265765783 /nfs/dbraw/zinc/76/57/83/1265765783.db2.gz XVJIATLVUOSFDI-CYBMUJFWSA-N 2 2 354.418 0.780 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCO[C@H](C)C3)C2)CC[N@@H+]1C ZINC001031686175 1253885594 /nfs/dbraw/zinc/88/55/94/1253885594.db2.gz KWLLVAPVSZHAHP-HYVNUMGLSA-N 2 2 366.506 0.012 20 0 FCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCO[C@H](C)C3)C2)CC[N@H+]1C ZINC001031686175 1253885600 /nfs/dbraw/zinc/88/56/00/1253885600.db2.gz KWLLVAPVSZHAHP-HYVNUMGLSA-N 2 2 366.506 0.012 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001031987145 1253910281 /nfs/dbraw/zinc/91/02/81/1253910281.db2.gz VHSCCNJQSINHCT-RBSFLKMASA-N 2 2 355.446 0.351 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC001329564248 1265782185 /nfs/dbraw/zinc/78/21/85/1265782185.db2.gz KTVDYOBFBYOREL-INIZCTEOSA-N 2 2 357.458 0.670 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC001329564248 1265782190 /nfs/dbraw/zinc/78/21/90/1265782190.db2.gz KTVDYOBFBYOREL-INIZCTEOSA-N 2 2 357.458 0.670 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H](O)c2ccccc2)O1 ZINC001032473693 1253922067 /nfs/dbraw/zinc/92/20/67/1253922067.db2.gz ZBMUHNWRCVUUGI-QFACEVIFSA-N 2 2 359.470 0.724 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H](O)c2ccccc2)O1 ZINC001032473693 1253922075 /nfs/dbraw/zinc/92/20/75/1253922075.db2.gz ZBMUHNWRCVUUGI-QFACEVIFSA-N 2 2 359.470 0.724 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)c2ccccc2)O1 ZINC001032473693 1253922086 /nfs/dbraw/zinc/92/20/86/1253922086.db2.gz ZBMUHNWRCVUUGI-QFACEVIFSA-N 2 2 359.470 0.724 20 0 FCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](O)c2ccccc2)O1 ZINC001032473693 1253922095 /nfs/dbraw/zinc/92/20/95/1253922095.db2.gz ZBMUHNWRCVUUGI-QFACEVIFSA-N 2 2 359.470 0.724 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC001329645418 1265798122 /nfs/dbraw/zinc/79/81/22/1265798122.db2.gz SLEQEHVVZLCDDP-BZUAXINKSA-N 2 2 373.501 0.943 20 0 FCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc3n(n2)CCC3)O1 ZINC001034975284 1254013149 /nfs/dbraw/zinc/01/31/49/1254013149.db2.gz QALGMSJXBHBQAL-ZTFGCOKTSA-N 2 2 361.490 0.629 20 0 FCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc3n(n2)CCC3)O1 ZINC001034975284 1254013156 /nfs/dbraw/zinc/01/31/56/1254013156.db2.gz QALGMSJXBHBQAL-ZTFGCOKTSA-N 2 2 361.490 0.629 20 0 FCADLP CNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228880 1254022264 /nfs/dbraw/zinc/02/22/64/1254022264.db2.gz GBUJDZXCIZMDIO-HUUCEWRRSA-N 2 2 359.474 0.584 20 0 FCADLP CNC(=O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228880 1254022273 /nfs/dbraw/zinc/02/22/73/1254022273.db2.gz GBUJDZXCIZMDIO-HUUCEWRRSA-N 2 2 359.474 0.584 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccc(CO)cc3)CCO2)CC[N@@H+]1C ZINC001035376313 1254031467 /nfs/dbraw/zinc/03/14/67/1254031467.db2.gz QYVGYYQQMHTVFA-ATZDWAIDSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccc(CO)cc3)CCO2)CC[N@H+]1C ZINC001035376313 1254031476 /nfs/dbraw/zinc/03/14/76/1254031476.db2.gz QYVGYYQQMHTVFA-ATZDWAIDSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(CO)cc3)CCO2)CC[NH+]1C ZINC001035376313 1254031485 /nfs/dbraw/zinc/03/14/85/1254031485.db2.gz QYVGYYQQMHTVFA-ATZDWAIDSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)CCO2)CC[NH+]1C ZINC001035376313 1254031494 /nfs/dbraw/zinc/03/14/94/1254031494.db2.gz QYVGYYQQMHTVFA-ATZDWAIDSA-N 2 2 361.486 0.836 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNc3[nH+]cnc4c3cnn4C)C2)CC[N@@H+]1C ZINC001061012925 1254151224 /nfs/dbraw/zinc/15/12/24/1254151224.db2.gz NLQJEXVOHQBEEN-HZSPNIEDSA-N 2 2 357.462 0.964 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNc3[nH+]cnc4c3cnn4C)C2)CC[N@H+]1C ZINC001061012925 1254151229 /nfs/dbraw/zinc/15/12/29/1254151229.db2.gz NLQJEXVOHQBEEN-HZSPNIEDSA-N 2 2 357.462 0.964 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061678125 1254202384 /nfs/dbraw/zinc/20/23/84/1254202384.db2.gz PUBMOOIJRDZYFU-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061678125 1254202394 /nfs/dbraw/zinc/20/23/94/1254202394.db2.gz PUBMOOIJRDZYFU-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061678125 1254202401 /nfs/dbraw/zinc/20/24/01/1254202401.db2.gz PUBMOOIJRDZYFU-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061678125 1254202416 /nfs/dbraw/zinc/20/24/16/1254202416.db2.gz PUBMOOIJRDZYFU-RBSFLKMASA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001065540019 1254545125 /nfs/dbraw/zinc/54/51/25/1254545125.db2.gz JUTFYHXWXNVAGZ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001065540019 1254545150 /nfs/dbraw/zinc/54/51/50/1254545150.db2.gz JUTFYHXWXNVAGZ-RRFJBIMHSA-N 2 2 363.462 0.199 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001520257755 1265890399 /nfs/dbraw/zinc/89/03/99/1265890399.db2.gz AAXCRMIPABIUJE-GOEBONIOSA-N 2 2 363.510 0.906 20 0 FCADLP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CN(C)CC[N@H+]1C ZINC001520257755 1265890404 /nfs/dbraw/zinc/89/04/04/1265890404.db2.gz AAXCRMIPABIUJE-GOEBONIOSA-N 2 2 363.510 0.906 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001520321923 1265907179 /nfs/dbraw/zinc/90/71/79/1265907179.db2.gz IHWORZBILUZXJE-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001520321923 1265907193 /nfs/dbraw/zinc/90/71/93/1265907193.db2.gz IHWORZBILUZXJE-CVEARBPZSA-N 2 2 361.490 0.991 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679577 1254866609 /nfs/dbraw/zinc/86/66/09/1254866609.db2.gz WBXHBJIAOGBMDT-BMGDILEWSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077679577 1254866618 /nfs/dbraw/zinc/86/66/18/1254866618.db2.gz WBXHBJIAOGBMDT-BMGDILEWSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077679577 1254866625 /nfs/dbraw/zinc/86/66/25/1254866625.db2.gz WBXHBJIAOGBMDT-BMGDILEWSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679577 1254866638 /nfs/dbraw/zinc/86/66/38/1254866638.db2.gz WBXHBJIAOGBMDT-BMGDILEWSA-N 2 2 363.506 0.776 20 0 FCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@H]2O)C1 ZINC001077685244 1254879670 /nfs/dbraw/zinc/87/96/70/1254879670.db2.gz GSCUUIGUJYEEQV-KZNAEPCWSA-N 2 2 361.486 0.613 20 0 FCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)C[C@H]2O)C1 ZINC001077685244 1254879676 /nfs/dbraw/zinc/87/96/76/1254879676.db2.gz GSCUUIGUJYEEQV-KZNAEPCWSA-N 2 2 361.486 0.613 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)C1 ZINC001077685244 1254879681 /nfs/dbraw/zinc/87/96/81/1254879681.db2.gz GSCUUIGUJYEEQV-KZNAEPCWSA-N 2 2 361.486 0.613 20 0 FCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)C1 ZINC001077685244 1254879686 /nfs/dbraw/zinc/87/96/86/1254879686.db2.gz GSCUUIGUJYEEQV-KZNAEPCWSA-N 2 2 361.486 0.613 20 0 FCADLP COc1c(C)c[nH+]c(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1C ZINC001330044545 1265932088 /nfs/dbraw/zinc/93/20/88/1265932088.db2.gz DRUQZAXNQOORQT-UHFFFAOYSA-N 2 2 365.478 0.868 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777244 1254977933 /nfs/dbraw/zinc/97/79/33/1254977933.db2.gz CZGQGKMVOLDSIC-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)[NH+]1CCCCCC1 ZINC001077777244 1254977942 /nfs/dbraw/zinc/97/79/42/1254977942.db2.gz CZGQGKMVOLDSIC-BRWVUGGUSA-N 2 2 366.506 0.035 20 0 FCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001077779010 1254981112 /nfs/dbraw/zinc/98/11/12/1254981112.db2.gz CLTQSPGSJDLBQY-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001077779010 1254981120 /nfs/dbraw/zinc/98/11/20/1254981120.db2.gz CLTQSPGSJDLBQY-IAGOWNOFSA-N 2 2 362.474 0.483 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001077923877 1255104713 /nfs/dbraw/zinc/10/47/13/1255104713.db2.gz IUVDYHUUVNUKAG-BMGDILEWSA-N 2 2 361.490 0.819 20 0 FCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2O)CC1 ZINC001077923877 1255104720 /nfs/dbraw/zinc/10/47/20/1255104720.db2.gz IUVDYHUUVNUKAG-BMGDILEWSA-N 2 2 361.490 0.819 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)ncn1 ZINC001077923988 1255104985 /nfs/dbraw/zinc/10/49/85/1255104985.db2.gz MSGKPLYAXUGIJI-QZTJIDSGSA-N 2 2 361.490 0.567 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)ncn1 ZINC001077923988 1255104996 /nfs/dbraw/zinc/10/49/96/1255104996.db2.gz MSGKPLYAXUGIJI-QZTJIDSGSA-N 2 2 361.490 0.567 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001078017906 1255173429 /nfs/dbraw/zinc/17/34/29/1255173429.db2.gz DCTCGKPCFVUVDG-BPLDGKMQSA-N 2 2 370.400 0.347 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1O ZINC001078017906 1255173431 /nfs/dbraw/zinc/17/34/31/1255173431.db2.gz DCTCGKPCFVUVDG-BPLDGKMQSA-N 2 2 370.400 0.347 20 0 FCADLP Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)c1 ZINC001078018021 1255173540 /nfs/dbraw/zinc/17/35/40/1255173540.db2.gz JSULESIFQAPNLP-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)c1 ZINC001078018021 1255173542 /nfs/dbraw/zinc/17/35/42/1255173542.db2.gz JSULESIFQAPNLP-SJLPKXTDSA-N 2 2 355.442 0.826 20 0 FCADLP CCc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180235 1255295576 /nfs/dbraw/zinc/29/55/76/1255295576.db2.gz SMMHZTSERXHSFZ-RTBURBONSA-N 2 2 361.486 0.885 20 0 FCADLP CCc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078180235 1255295578 /nfs/dbraw/zinc/29/55/78/1255295578.db2.gz SMMHZTSERXHSFZ-RTBURBONSA-N 2 2 361.486 0.885 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCCO2)no1 ZINC001078417504 1255410664 /nfs/dbraw/zinc/41/06/64/1255410664.db2.gz DDZUQUZDCMMFGG-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCCO2)no1 ZINC001078417504 1255410668 /nfs/dbraw/zinc/41/06/68/1255410668.db2.gz DDZUQUZDCMMFGG-HYVNUMGLSA-N 2 2 366.462 0.409 20 0 FCADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1)C(N)=O ZINC001079200875 1255470732 /nfs/dbraw/zinc/47/07/32/1255470732.db2.gz JXIQOZJEYIETTL-XFBWCDHKSA-N 2 2 359.405 0.549 20 0 FCADLP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239170 1255482714 /nfs/dbraw/zinc/48/27/14/1255482714.db2.gz GPQFUBGINLSXRO-OWCLPIDISA-N 2 2 362.474 0.663 20 0 FCADLP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528026 1255534896 /nfs/dbraw/zinc/53/48/96/1255534896.db2.gz QBBLTDFLUPEVNL-XWIAVFTESA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528026 1255534912 /nfs/dbraw/zinc/53/49/12/1255534912.db2.gz QBBLTDFLUPEVNL-XWIAVFTESA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079528026 1255534920 /nfs/dbraw/zinc/53/49/20/1255534920.db2.gz QBBLTDFLUPEVNL-XWIAVFTESA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1C[NH+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079528026 1255534928 /nfs/dbraw/zinc/53/49/28/1255534928.db2.gz QBBLTDFLUPEVNL-XWIAVFTESA-N 2 2 365.449 0.585 20 0 FCADLP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526791 1255535998 /nfs/dbraw/zinc/53/59/98/1255535998.db2.gz SXOWNFLRYUPMPH-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526791 1255536004 /nfs/dbraw/zinc/53/60/04/1255536004.db2.gz SXOWNFLRYUPMPH-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526791 1255536010 /nfs/dbraw/zinc/53/60/10/1255536010.db2.gz SXOWNFLRYUPMPH-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526791 1255536013 /nfs/dbraw/zinc/53/60/13/1255536013.db2.gz SXOWNFLRYUPMPH-KBRIMQKVSA-N 2 2 360.458 0.053 20 0 FCADLP C[C@@H]1C[N@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528009 1255536321 /nfs/dbraw/zinc/53/63/21/1255536321.db2.gz PJIXPMSBPKYVBY-KYJSFNMBSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528009 1255536326 /nfs/dbraw/zinc/53/63/26/1255536326.db2.gz PJIXPMSBPKYVBY-KYJSFNMBSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079528009 1255536333 /nfs/dbraw/zinc/53/63/33/1255536333.db2.gz PJIXPMSBPKYVBY-KYJSFNMBSA-N 2 2 365.449 0.972 20 0 FCADLP C[C@@H]1C[NH+](CCOc2ccccc2F)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079528009 1255536341 /nfs/dbraw/zinc/53/63/41/1255536341.db2.gz PJIXPMSBPKYVBY-KYJSFNMBSA-N 2 2 365.449 0.972 20 0 FCADLP COc1ccnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001079950360 1255678557 /nfs/dbraw/zinc/67/85/57/1255678557.db2.gz OVZWBMUZHNODHE-DTTOXWODSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001079950360 1255678562 /nfs/dbraw/zinc/67/85/62/1255678562.db2.gz OVZWBMUZHNODHE-DTTOXWODSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001079950360 1255678565 /nfs/dbraw/zinc/67/85/65/1255678565.db2.gz OVZWBMUZHNODHE-DTTOXWODSA-N 2 2 362.474 0.746 20 0 FCADLP COc1ccnc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001079950360 1255678572 /nfs/dbraw/zinc/67/85/72/1255678572.db2.gz OVZWBMUZHNODHE-DTTOXWODSA-N 2 2 362.474 0.746 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962571 1255683582 /nfs/dbraw/zinc/68/35/82/1255683582.db2.gz QSLGEOXVLLWTTE-KMUNFCNLSA-N 2 2 355.398 0.418 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962571 1255683586 /nfs/dbraw/zinc/68/35/86/1255683586.db2.gz QSLGEOXVLLWTTE-KMUNFCNLSA-N 2 2 355.398 0.418 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079967294 1255685140 /nfs/dbraw/zinc/68/51/40/1255685140.db2.gz DAKNMYRBBOOGKC-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079967294 1255685145 /nfs/dbraw/zinc/68/51/45/1255685145.db2.gz DAKNMYRBBOOGKC-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079967294 1255685152 /nfs/dbraw/zinc/68/51/52/1255685152.db2.gz DAKNMYRBBOOGKC-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[NH+](CC(=O)NC2CCOCC2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079967294 1255685155 /nfs/dbraw/zinc/68/51/55/1255685155.db2.gz DAKNMYRBBOOGKC-OIISXLGYSA-N 2 2 366.506 0.202 20 0 FCADLP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982156 1255690570 /nfs/dbraw/zinc/69/05/70/1255690570.db2.gz PKJWILTUEQKGGR-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079982156 1255690577 /nfs/dbraw/zinc/69/05/77/1255690577.db2.gz PKJWILTUEQKGGR-BFYDXBDKSA-N 2 2 359.474 0.504 20 0 FCADLP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161345 1255766557 /nfs/dbraw/zinc/76/65/57/1255766557.db2.gz XXHAVZOSEKCXOP-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161345 1255766560 /nfs/dbraw/zinc/76/65/60/1255766560.db2.gz XXHAVZOSEKCXOP-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161345 1255766563 /nfs/dbraw/zinc/76/65/63/1255766563.db2.gz XXHAVZOSEKCXOP-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP Cc1nc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)co1 ZINC001080161345 1255766568 /nfs/dbraw/zinc/76/65/68/1255766568.db2.gz XXHAVZOSEKCXOP-MESWHDRRSA-N 2 2 360.458 0.783 20 0 FCADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001080346248 1255857304 /nfs/dbraw/zinc/85/73/04/1255857304.db2.gz SKQWHODFLLOJSE-BNOWGMLFSA-N 2 2 362.430 0.197 20 0 FCADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001080346248 1255857313 /nfs/dbraw/zinc/85/73/13/1255857313.db2.gz SKQWHODFLLOJSE-BNOWGMLFSA-N 2 2 362.430 0.197 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038052 1256157413 /nfs/dbraw/zinc/15/74/13/1256157413.db2.gz LWCBUGRWTVMMLS-IXDOHACOSA-N 2 2 361.490 0.967 20 0 FCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038052 1256157427 /nfs/dbraw/zinc/15/74/27/1256157427.db2.gz LWCBUGRWTVMMLS-IXDOHACOSA-N 2 2 361.490 0.967 20 0 FCADLP NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1 ZINC001081135266 1256189779 /nfs/dbraw/zinc/18/97/79/1256189779.db2.gz NUUNINSUQYFUMC-BPQIPLTHSA-N 2 2 367.453 0.515 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081434888 1256255652 /nfs/dbraw/zinc/25/56/52/1256255652.db2.gz DPJOJZFLNTVKTP-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081434888 1256255656 /nfs/dbraw/zinc/25/56/56/1256255656.db2.gz DPJOJZFLNTVKTP-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081434888 1256255663 /nfs/dbraw/zinc/25/56/63/1256255663.db2.gz DPJOJZFLNTVKTP-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081434888 1256255671 /nfs/dbraw/zinc/25/56/71/1256255671.db2.gz DPJOJZFLNTVKTP-BRWVUGGUSA-N 2 2 360.458 0.195 20 0 FCADLP CO[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481459 1256270758 /nfs/dbraw/zinc/27/07/58/1256270758.db2.gz JGIMZCRIEMFGMH-BCKYCOLUSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481459 1256270760 /nfs/dbraw/zinc/27/07/60/1256270760.db2.gz JGIMZCRIEMFGMH-BCKYCOLUSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481459 1256270769 /nfs/dbraw/zinc/27/07/69/1256270769.db2.gz JGIMZCRIEMFGMH-BCKYCOLUSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[NH+](C/C=C/c2ccccc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481459 1256270772 /nfs/dbraw/zinc/27/07/72/1256270772.db2.gz JGIMZCRIEMFGMH-BCKYCOLUSA-N 2 2 359.470 0.846 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481897 1256272811 /nfs/dbraw/zinc/27/28/11/1256272811.db2.gz ZPJHMBDJAZDMDF-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481897 1256272815 /nfs/dbraw/zinc/27/28/15/1256272815.db2.gz ZPJHMBDJAZDMDF-GUDVDZBRSA-N 2 2 361.486 0.949 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481897 1256272819 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/nfs/dbraw/zinc/51/71/84/1256517184.db2.gz HVVYZLSFJDIKPU-KZNAEPCWSA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001082063814 1256517191 /nfs/dbraw/zinc/51/71/91/1256517191.db2.gz HVVYZLSFJDIKPU-KZNAEPCWSA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[NH+](Cc2ccccn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001082063814 1256517194 /nfs/dbraw/zinc/51/71/94/1256517194.db2.gz HVVYZLSFJDIKPU-KZNAEPCWSA-N 2 2 362.474 0.506 20 0 FCADLP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072911 1256522594 /nfs/dbraw/zinc/52/25/94/1256522594.db2.gz NZVJQXIQLMAJNZ-HUUCEWRRSA-N 2 2 362.434 0.062 20 0 FCADLP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001082072911 1256522596 /nfs/dbraw/zinc/52/25/96/1256522596.db2.gz NZVJQXIQLMAJNZ-HUUCEWRRSA-N 2 2 362.434 0.062 20 0 FCADLP CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326158 1256665821 /nfs/dbraw/zinc/66/58/21/1256665821.db2.gz PYBXXACALJFODH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326158 1256665826 /nfs/dbraw/zinc/66/58/26/1256665826.db2.gz PYBXXACALJFODH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326158 1256665831 /nfs/dbraw/zinc/66/58/31/1256665831.db2.gz PYBXXACALJFODH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326158 1256665840 /nfs/dbraw/zinc/66/58/40/1256665840.db2.gz PYBXXACALJFODH-BRWVUGGUSA-N 2 2 366.506 0.156 20 0 FCADLP CO[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327178 1256667731 /nfs/dbraw/zinc/66/77/31/1256667731.db2.gz HNZPDUJIUYXXRQ-KZNAEPCWSA-N 2 2 358.442 0.512 20 0 FCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327178 1256667733 /nfs/dbraw/zinc/66/77/33/1256667733.db2.gz HNZPDUJIUYXXRQ-KZNAEPCWSA-N 2 2 358.442 0.512 20 0 FCADLP COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)cn1 ZINC001082328154 1256670043 /nfs/dbraw/zinc/67/00/43/1256670043.db2.gz GTCHCFNPJVFECB-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP COc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](OC)C2)cn1 ZINC001082328154 1256670044 /nfs/dbraw/zinc/67/00/44/1256670044.db2.gz GTCHCFNPJVFECB-HZPDHXFCSA-N 2 2 360.458 0.501 20 0 FCADLP CO[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369720 1256717815 /nfs/dbraw/zinc/71/78/15/1256717815.db2.gz YYGRBLPVXQKUQA-BRWVUGGUSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082369720 1256717823 /nfs/dbraw/zinc/71/78/23/1256717823.db2.gz YYGRBLPVXQKUQA-BRWVUGGUSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082369720 1256717828 /nfs/dbraw/zinc/71/78/28/1256717828.db2.gz YYGRBLPVXQKUQA-BRWVUGGUSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[NH+](Cc2cnn(C(C)(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082369720 1256717832 /nfs/dbraw/zinc/71/78/32/1256717832.db2.gz YYGRBLPVXQKUQA-BRWVUGGUSA-N 2 2 363.506 0.905 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371007 1256721285 /nfs/dbraw/zinc/72/12/85/1256721285.db2.gz OFFIZQZVZJRCLI-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082371007 1256721288 /nfs/dbraw/zinc/72/12/88/1256721288.db2.gz OFFIZQZVZJRCLI-BZUAXINKSA-N 2 2 366.506 0.297 20 0 FCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382366 1256733075 /nfs/dbraw/zinc/73/30/75/1256733075.db2.gz AOHAUNLDTJDQAI-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382366 1256733079 /nfs/dbraw/zinc/73/30/79/1256733079.db2.gz AOHAUNLDTJDQAI-BRWVUGGUSA-N 2 2 362.474 0.441 20 0 FCADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082458297 1256770518 /nfs/dbraw/zinc/77/05/18/1256770518.db2.gz GLCREFNUSAZLAO-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082458297 1256770522 /nfs/dbraw/zinc/77/05/22/1256770522.db2.gz GLCREFNUSAZLAO-FVQBIDKESA-N 2 2 364.494 0.264 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082549569 1256841899 /nfs/dbraw/zinc/84/18/99/1256841899.db2.gz JQAAIOZRMAXVKC-IIAWOOMASA-N 2 2 363.462 0.026 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001082549569 1256841905 /nfs/dbraw/zinc/84/19/05/1256841905.db2.gz JQAAIOZRMAXVKC-IIAWOOMASA-N 2 2 363.462 0.026 20 0 FCADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C)on1 ZINC001082558151 1256855629 /nfs/dbraw/zinc/85/56/29/1256855629.db2.gz BCRVDZSRIGLHEY-XYPHTWIQSA-N 2 2 360.462 0.746 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)nn1 ZINC001082601260 1256911685 /nfs/dbraw/zinc/91/16/85/1256911685.db2.gz SPSIORFVHPEEDW-CKEIUWERSA-N 2 2 370.457 0.881 20 0 FCADLP CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C)nn1 ZINC001082601819 1256911955 /nfs/dbraw/zinc/91/19/55/1256911955.db2.gz XYPOBBJBBUHTKH-CKEIUWERSA-N 2 2 357.462 0.694 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601343 1256912512 /nfs/dbraw/zinc/91/25/12/1256912512.db2.gz WVVMIIBQPTVPFX-IIAWOOMASA-N 2 2 357.462 0.694 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001082604428 1256915575 /nfs/dbraw/zinc/91/55/75/1256915575.db2.gz PDTLSXXLZJIIOO-UWWQBHOKSA-N 2 2 356.474 0.858 20 0 FCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001082608975 1256919494 /nfs/dbraw/zinc/91/94/94/1256919494.db2.gz KPFBGEIXJCDYSH-IVMMDQJWSA-N 2 2 363.462 0.407 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653575 1256956686 /nfs/dbraw/zinc/95/66/86/1256956686.db2.gz RSMMHNYJOKAOJE-GKZCEAJXSA-N 2 2 361.446 0.178 20 0 FCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C)n1 ZINC001082653575 1256956693 /nfs/dbraw/zinc/95/66/93/1256956693.db2.gz RSMMHNYJOKAOJE-GKZCEAJXSA-N 2 2 361.446 0.178 20 0 FCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082673270 1256972353 /nfs/dbraw/zinc/97/23/53/1256972353.db2.gz AMPOQSKVZXASKZ-HUUCEWRRSA-N 2 2 357.462 0.838 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C)C(N)=O ZINC001082776561 1257045438 /nfs/dbraw/zinc/04/54/38/1257045438.db2.gz IGLOULOSPFXINA-OWCLPIDISA-N 2 2 366.506 0.332 20 0 FCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001082822188 1257081306 /nfs/dbraw/zinc/08/13/06/1257081306.db2.gz PHCJQCUJQRDZLE-HUUCEWRRSA-N 2 2 364.494 0.804 20 0 FCADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC001082828846 1257085679 /nfs/dbraw/zinc/08/56/79/1257085679.db2.gz LYEPCWODZFFZQS-UKRRQHHQSA-N 2 2 365.478 0.679 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082853543 1257105035 /nfs/dbraw/zinc/10/50/35/1257105035.db2.gz FYUCWBGHCISDHQ-IDHHARJASA-N 2 2 371.489 0.624 20 0 FCADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C)C(N)=O ZINC001082856567 1257106154 /nfs/dbraw/zinc/10/61/54/1257106154.db2.gz UDLIGGWQVRFJQE-IVMMDQJWSA-N 2 2 356.430 0.581 20 0 FCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC001082892959 1257129069 /nfs/dbraw/zinc/12/90/69/1257129069.db2.gz AVSPPBFIMYAYAY-GDBMZVCRSA-N 2 2 371.489 0.917 20 0 FCADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)nn1 ZINC001082892954 1257129087 /nfs/dbraw/zinc/12/90/87/1257129087.db2.gz AHYIONQVWVLTCU-CZUORRHYSA-N 2 2 358.446 0.788 20 0 FCADLP CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923433 1257147045 /nfs/dbraw/zinc/14/70/45/1257147045.db2.gz JZZLSQDDKQVUBQ-OWCLPIDISA-N 2 2 364.494 0.203 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)nn2C)C1 ZINC001082922209 1257147242 /nfs/dbraw/zinc/14/72/42/1257147242.db2.gz PQKJXPMZMGIICD-IUODEOHRSA-N 2 2 357.462 0.834 20 0 FCADLP C[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1[NH2+]Cc1cnnn1C ZINC001082946619 1257162957 /nfs/dbraw/zinc/16/29/57/1257162957.db2.gz KSNYYSFXNKHWEA-XYPHTWIQSA-N 2 2 357.462 0.450 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106723 1257320825 /nfs/dbraw/zinc/32/08/25/1257320825.db2.gz SENSWTWQLWNWMN-RRQGHBQHSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106723 1257320836 /nfs/dbraw/zinc/32/08/36/1257320836.db2.gz SENSWTWQLWNWMN-RRQGHBQHSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106723 1257320845 /nfs/dbraw/zinc/32/08/45/1257320845.db2.gz SENSWTWQLWNWMN-RRQGHBQHSA-N 2 2 364.490 0.049 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106723 1257320854 /nfs/dbraw/zinc/32/08/54/1257320854.db2.gz SENSWTWQLWNWMN-RRQGHBQHSA-N 2 2 364.490 0.049 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCO[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]21 ZINC001083124237 1257360373 /nfs/dbraw/zinc/36/03/73/1257360373.db2.gz OOXMOLOFJPQEHX-RYQLBKOJSA-N 2 2 370.457 0.254 20 0 FCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCO[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]21 ZINC001083124237 1257360382 /nfs/dbraw/zinc/36/03/82/1257360382.db2.gz OOXMOLOFJPQEHX-RYQLBKOJSA-N 2 2 370.457 0.254 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083143782 1257398242 /nfs/dbraw/zinc/39/82/42/1257398242.db2.gz AGLPBPLNRQPYNL-DLBZAZTESA-N 2 2 358.446 0.079 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCc3ccnn3C)C[C@@H]21 ZINC001083143782 1257398250 /nfs/dbraw/zinc/39/82/50/1257398250.db2.gz AGLPBPLNRQPYNL-DLBZAZTESA-N 2 2 358.446 0.079 20 0 FCADLP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001083157632 1257413969 /nfs/dbraw/zinc/41/39/69/1257413969.db2.gz HWLCZVGXUZJISB-DLBZAZTESA-N 2 2 358.446 0.161 20 0 FCADLP Cn1nccc1CC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001083157632 1257413974 /nfs/dbraw/zinc/41/39/74/1257413974.db2.gz HWLCZVGXUZJISB-DLBZAZTESA-N 2 2 358.446 0.161 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc3cncc(C)c3)C[C@@H]1O)CC2 ZINC001083731940 1257469334 /nfs/dbraw/zinc/46/93/34/1257469334.db2.gz VLGQBHVWDYHKNJ-UHOSZYNNSA-N 2 2 369.469 0.819 20 0 FCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc3cncc(C)c3)C[C@@H]1O)CC2 ZINC001083731940 1257469336 /nfs/dbraw/zinc/46/93/36/1257469336.db2.gz VLGQBHVWDYHKNJ-UHOSZYNNSA-N 2 2 369.469 0.819 20 0 FCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781405 1257525152 /nfs/dbraw/zinc/52/51/52/1257525152.db2.gz GFYPYPBLAWNVDI-UAGQMJEPSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781405 1257525155 /nfs/dbraw/zinc/52/51/55/1257525155.db2.gz GFYPYPBLAWNVDI-UAGQMJEPSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781405 1257525161 /nfs/dbraw/zinc/52/51/61/1257525161.db2.gz GFYPYPBLAWNVDI-UAGQMJEPSA-N 2 2 365.449 0.708 20 0 FCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]2O)C1 ZINC001083781405 1257525166 /nfs/dbraw/zinc/52/51/66/1257525166.db2.gz GFYPYPBLAWNVDI-UAGQMJEPSA-N 2 2 365.449 0.708 20 0 FCADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781567 1257525446 /nfs/dbraw/zinc/52/54/46/1257525446.db2.gz MVPLYTKPWYFQME-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781567 1257525450 /nfs/dbraw/zinc/52/54/50/1257525450.db2.gz MVPLYTKPWYFQME-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781567 1257525454 /nfs/dbraw/zinc/52/54/54/1257525454.db2.gz MVPLYTKPWYFQME-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)C1 ZINC001083781567 1257525458 /nfs/dbraw/zinc/52/54/58/1257525458.db2.gz MVPLYTKPWYFQME-JTDSTZFVSA-N 2 2 364.465 0.955 20 0 FCADLP Cc1noc(CCC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001083789572 1257541094 /nfs/dbraw/zinc/54/10/94/1257541094.db2.gz JTPSUPMFNVJMCL-KQTLUZQSSA-N 2 2 374.445 0.009 20 0 FCADLP Cc1noc(CCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)n1 ZINC001083789572 1257541099 /nfs/dbraw/zinc/54/10/99/1257541099.db2.gz JTPSUPMFNVJMCL-KQTLUZQSSA-N 2 2 374.445 0.009 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832292 1257586250 /nfs/dbraw/zinc/58/62/50/1257586250.db2.gz AHHYFIOSEAJJFQ-SQNIBIBYSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832292 1257586255 /nfs/dbraw/zinc/58/62/55/1257586255.db2.gz AHHYFIOSEAJJFQ-SQNIBIBYSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832292 1257586256 /nfs/dbraw/zinc/58/62/56/1257586256.db2.gz AHHYFIOSEAJJFQ-SQNIBIBYSA-N 2 2 363.506 0.653 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832292 1257586262 /nfs/dbraw/zinc/58/62/62/1257586262.db2.gz AHHYFIOSEAJJFQ-SQNIBIBYSA-N 2 2 363.506 0.653 20 0 FCADLP CCN1CC[NH+](CCCNC(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC001521504580 1266127970 /nfs/dbraw/zinc/12/79/70/1266127970.db2.gz YNSIBQJWJFBSME-FQEVSTJZSA-N 2 2 360.502 0.939 20 0 FCADLP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)cn1 ZINC001083887593 1257659358 /nfs/dbraw/zinc/65/93/58/1257659358.db2.gz AGCGWOMFGDAJMA-MSOLQXFVSA-N 2 2 363.506 0.339 20 0 FCADLP CCn1cc(CC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)cn1 ZINC001083887593 1257659366 /nfs/dbraw/zinc/65/93/66/1257659366.db2.gz AGCGWOMFGDAJMA-MSOLQXFVSA-N 2 2 363.506 0.339 20 0 FCADLP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946722 1257733594 /nfs/dbraw/zinc/73/35/94/1257733594.db2.gz ZHAPSALQTFMBTD-QGTPRVQTSA-N 2 2 371.441 0.469 20 0 FCADLP O=C(N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001083946722 1257733598 /nfs/dbraw/zinc/73/35/98/1257733598.db2.gz ZHAPSALQTFMBTD-QGTPRVQTSA-N 2 2 371.441 0.469 20 0 FCADLP COCc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083954706 1257743467 /nfs/dbraw/zinc/74/34/67/1257743467.db2.gz DWPUUJCHNMQOAR-MSOLQXFVSA-N 2 2 358.442 0.471 20 0 FCADLP COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC001083954706 1257743471 /nfs/dbraw/zinc/74/34/71/1257743471.db2.gz DWPUUJCHNMQOAR-MSOLQXFVSA-N 2 2 358.442 0.471 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961058 1257751624 /nfs/dbraw/zinc/75/16/24/1257751624.db2.gz ATVDWGCOFSLDBM-WBVHZDCISA-N 2 2 358.446 0.165 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961058 1257751632 /nfs/dbraw/zinc/75/16/32/1257751632.db2.gz ATVDWGCOFSLDBM-WBVHZDCISA-N 2 2 358.446 0.165 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001083961635 1257752951 /nfs/dbraw/zinc/75/29/51/1257752951.db2.gz BOINKLKXZWMMPX-QRQLOZEOSA-N 2 2 370.453 0.656 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1O ZINC001083961635 1257752956 /nfs/dbraw/zinc/75/29/56/1257752956.db2.gz BOINKLKXZWMMPX-QRQLOZEOSA-N 2 2 370.453 0.656 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001084057393 1257869392 /nfs/dbraw/zinc/86/93/92/1257869392.db2.gz IRTQWPPKMJAMFJ-XHSDSOJGSA-N 2 2 361.442 0.084 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1O ZINC001084057393 1257869403 /nfs/dbraw/zinc/86/94/03/1257869403.db2.gz IRTQWPPKMJAMFJ-XHSDSOJGSA-N 2 2 361.442 0.084 20 0 FCADLP COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084057702 1257871217 /nfs/dbraw/zinc/87/12/17/1257871217.db2.gz YFXAIWKKBOPMTQ-MSOLQXFVSA-N 2 2 363.458 0.331 20 0 FCADLP COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)c1 ZINC001084057702 1257871222 /nfs/dbraw/zinc/87/12/22/1257871222.db2.gz YFXAIWKKBOPMTQ-MSOLQXFVSA-N 2 2 363.458 0.331 20 0 FCADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)[C@@H](O)C2)ncn1 ZINC001084087908 1257911307 /nfs/dbraw/zinc/91/13/07/1257911307.db2.gz GZTDDFWSIOVLRD-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)[C@@H](O)C2)ncn1 ZINC001084087908 1257911314 /nfs/dbraw/zinc/91/13/14/1257911314.db2.gz GZTDDFWSIOVLRD-MOPGFXCFSA-N 2 2 369.469 0.822 20 0 FCADLP CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001084251430 1257988658 /nfs/dbraw/zinc/98/86/58/1257988658.db2.gz NOEZJQFLCIGKOO-KZNAEPCWSA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)[C@@H]3C2)cn1 ZINC001084251430 1257988661 /nfs/dbraw/zinc/98/86/61/1257988661.db2.gz NOEZJQFLCIGKOO-KZNAEPCWSA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001084251430 1257988666 /nfs/dbraw/zinc/98/86/66/1257988666.db2.gz NOEZJQFLCIGKOO-KZNAEPCWSA-N 2 2 361.490 0.309 20 0 FCADLP CCn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)cn1 ZINC001084251430 1257988672 /nfs/dbraw/zinc/98/86/72/1257988672.db2.gz NOEZJQFLCIGKOO-KZNAEPCWSA-N 2 2 361.490 0.309 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001084404726 1258085125 /nfs/dbraw/zinc/08/51/25/1258085125.db2.gz NGWJOAUXUQJGNU-KZNAEPCWSA-N 2 2 371.489 0.243 20 0 FCADLP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2CC[N@@H+](CCn3cccn3)C[C@H]21 ZINC001084404726 1258085133 /nfs/dbraw/zinc/08/51/33/1258085133.db2.gz NGWJOAUXUQJGNU-KZNAEPCWSA-N 2 2 371.489 0.243 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CC[N@H+](CCn4cncn4)C[C@H]32)c[nH+]1 ZINC001084446034 1258117173 /nfs/dbraw/zinc/11/71/73/1258117173.db2.gz PKSIKBRUFMTEPI-HZPDHXFCSA-N 2 2 357.462 0.751 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)c[nH+]1 ZINC001084446034 1258117175 /nfs/dbraw/zinc/11/71/75/1258117175.db2.gz PKSIKBRUFMTEPI-HZPDHXFCSA-N 2 2 357.462 0.751 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511206 1258146150 /nfs/dbraw/zinc/14/61/50/1258146150.db2.gz MKHCUGKKSBVSCI-XJKCOSOUSA-N 2 2 354.414 0.287 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001084511206 1258146151 /nfs/dbraw/zinc/14/61/51/1258146151.db2.gz MKHCUGKKSBVSCI-XJKCOSOUSA-N 2 2 354.414 0.287 20 0 FCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545027 1258163595 /nfs/dbraw/zinc/16/35/95/1258163595.db2.gz SHVUNKNPDQPHCM-QGPMSJSTSA-N 2 2 358.486 0.811 20 0 FCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545027 1258163598 /nfs/dbraw/zinc/16/35/98/1258163598.db2.gz SHVUNKNPDQPHCM-QGPMSJSTSA-N 2 2 358.486 0.811 20 0 FCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607751 1258196715 /nfs/dbraw/zinc/19/67/15/1258196715.db2.gz GXKFSPXHNQVEHD-KBAYOESNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607751 1258196719 /nfs/dbraw/zinc/19/67/19/1258196719.db2.gz GXKFSPXHNQVEHD-KBAYOESNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607751 1258196725 /nfs/dbraw/zinc/19/67/25/1258196725.db2.gz GXKFSPXHNQVEHD-KBAYOESNSA-N 2 2 361.490 0.562 20 0 FCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccnn4C)C[C@H]32)C1 ZINC001084607751 1258196729 /nfs/dbraw/zinc/19/67/29/1258196729.db2.gz GXKFSPXHNQVEHD-KBAYOESNSA-N 2 2 361.490 0.562 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662319 1258225943 /nfs/dbraw/zinc/22/59/43/1258225943.db2.gz FJJNFPFUOMJLHJ-ZMSDIMECSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662319 1258225947 /nfs/dbraw/zinc/22/59/47/1258225947.db2.gz FJJNFPFUOMJLHJ-ZMSDIMECSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662319 1258225950 /nfs/dbraw/zinc/22/59/50/1258225950.db2.gz FJJNFPFUOMJLHJ-ZMSDIMECSA-N 2 2 362.518 0.918 20 0 FCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084662319 1258225952 /nfs/dbraw/zinc/22/59/52/1258225952.db2.gz FJJNFPFUOMJLHJ-ZMSDIMECSA-N 2 2 362.518 0.918 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084694857 1258248052 /nfs/dbraw/zinc/24/80/52/1258248052.db2.gz WJEUQCMWOVMAKV-BZUAXINKSA-N 2 2 359.474 0.818 20 0 FCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001084694857 1258248056 /nfs/dbraw/zinc/24/80/56/1258248056.db2.gz WJEUQCMWOVMAKV-BZUAXINKSA-N 2 2 359.474 0.818 20 0 FCADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084743867 1258283081 /nfs/dbraw/zinc/28/30/81/1258283081.db2.gz JQDINHBUJMUDBF-CKEIUWERSA-N 2 2 368.441 0.548 20 0 FCADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001084743867 1258283086 /nfs/dbraw/zinc/28/30/86/1258283086.db2.gz JQDINHBUJMUDBF-CKEIUWERSA-N 2 2 368.441 0.548 20 0 FCADLP Cn1nccc1C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745171 1258284486 /nfs/dbraw/zinc/28/44/86/1258284486.db2.gz MAYTZGGAGKMBPQ-CRAIPNDOSA-N 2 2 361.490 0.564 20 0 FCADLP Cn1nccc1C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745171 1258284489 /nfs/dbraw/zinc/28/44/89/1258284489.db2.gz MAYTZGGAGKMBPQ-CRAIPNDOSA-N 2 2 361.490 0.564 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001084780283 1258321826 /nfs/dbraw/zinc/32/18/26/1258321826.db2.gz YMJSGWVPEQLFDJ-XOKHGSTOSA-N 2 2 357.458 0.525 20 0 FCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001084780283 1258321834 /nfs/dbraw/zinc/32/18/34/1258321834.db2.gz YMJSGWVPEQLFDJ-XOKHGSTOSA-N 2 2 357.458 0.525 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084780164 1258321990 /nfs/dbraw/zinc/32/19/90/1258321990.db2.gz SNSUQGFWSQPPJA-CKEIUWERSA-N 2 2 359.474 0.771 20 0 FCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084780164 1258321999 /nfs/dbraw/zinc/32/19/99/1258321999.db2.gz SNSUQGFWSQPPJA-CKEIUWERSA-N 2 2 359.474 0.771 20 0 FCADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001084866317 1258408441 /nfs/dbraw/zinc/40/84/41/1258408441.db2.gz LGQRFKXRDLFWSG-QZTJIDSGSA-N 2 2 367.453 0.976 20 0 FCADLP CNC(=O)c1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001084866317 1258408445 /nfs/dbraw/zinc/40/84/45/1258408445.db2.gz LGQRFKXRDLFWSG-QZTJIDSGSA-N 2 2 367.453 0.976 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911040 1258433352 /nfs/dbraw/zinc/43/33/52/1258433352.db2.gz LUFGQTFNKZOXQG-FGTMMUONSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ncc(C[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@@H]32)cn1 ZINC001084911040 1258433353 /nfs/dbraw/zinc/43/33/53/1258433353.db2.gz LUFGQTFNKZOXQG-FGTMMUONSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911040 1258433354 /nfs/dbraw/zinc/43/33/54/1258433354.db2.gz LUFGQTFNKZOXQG-FGTMMUONSA-N 2 2 359.474 0.538 20 0 FCADLP Cc1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@@H]32)cn1 ZINC001084911040 1258433356 /nfs/dbraw/zinc/43/33/56/1258433356.db2.gz LUFGQTFNKZOXQG-FGTMMUONSA-N 2 2 359.474 0.538 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084931040 1258445517 /nfs/dbraw/zinc/44/55/17/1258445517.db2.gz XHOFLRZWJUGBSV-CABCVRRESA-N 2 2 360.462 0.290 20 0 FCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001084931040 1258445524 /nfs/dbraw/zinc/44/55/24/1258445524.db2.gz XHOFLRZWJUGBSV-CABCVRRESA-N 2 2 360.462 0.290 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084955179 1258465341 /nfs/dbraw/zinc/46/53/41/1258465341.db2.gz KAAFTXBHGBQZGV-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084955179 1258465345 /nfs/dbraw/zinc/46/53/45/1258465345.db2.gz KAAFTXBHGBQZGV-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084955179 1258465348 /nfs/dbraw/zinc/46/53/48/1258465348.db2.gz KAAFTXBHGBQZGV-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@H]2C1 ZINC001084955179 1258465351 /nfs/dbraw/zinc/46/53/51/1258465351.db2.gz KAAFTXBHGBQZGV-WBVHZDCISA-N 2 2 359.474 0.888 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001085043514 1258541942 /nfs/dbraw/zinc/54/19/42/1258541942.db2.gz CNXMEYBMTJDWLC-HIFRSBDPSA-N 2 2 359.430 0.024 20 0 FCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001085043514 1258541946 /nfs/dbraw/zinc/54/19/46/1258541946.db2.gz CNXMEYBMTJDWLC-HIFRSBDPSA-N 2 2 359.430 0.024 20 0 FCADLP CCn1nncc1C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001085094089 1258588038 /nfs/dbraw/zinc/58/80/38/1258588038.db2.gz YURLGOJIRLOSHB-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP CCn1nncc1C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001085094089 1258588041 /nfs/dbraw/zinc/58/80/41/1258588041.db2.gz YURLGOJIRLOSHB-WBVHZDCISA-N 2 2 357.462 0.926 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC001085159342 1258611859 /nfs/dbraw/zinc/61/18/59/1258611859.db2.gz PWUASSWEVXACAY-RBSFLKMASA-N 2 2 364.494 0.776 20 0 FCADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001085159342 1258611866 /nfs/dbraw/zinc/61/18/66/1258611866.db2.gz PWUASSWEVXACAY-RBSFLKMASA-N 2 2 364.494 0.776 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109532 1258647586 /nfs/dbraw/zinc/64/75/86/1258647586.db2.gz KMSJZTOGUKRROI-YCPHGPKFSA-N 2 2 361.494 0.629 20 0 FCADLP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1)[NH+](C)C ZINC001088109532 1258647593 /nfs/dbraw/zinc/64/75/93/1258647593.db2.gz KMSJZTOGUKRROI-YCPHGPKFSA-N 2 2 361.494 0.629 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088151648 1258663926 /nfs/dbraw/zinc/66/39/26/1258663926.db2.gz NMSADAXLAJOSQD-HLLBOEOZSA-N 2 2 371.485 0.886 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)CC[C@@H]2C1 ZINC001088151648 1258663930 /nfs/dbraw/zinc/66/39/30/1258663930.db2.gz NMSADAXLAJOSQD-HLLBOEOZSA-N 2 2 371.485 0.886 20 0 FCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088171095 1258689716 /nfs/dbraw/zinc/68/97/16/1258689716.db2.gz XFELIEDOGFPOSX-WBVHZDCISA-N 2 2 356.474 0.985 20 0 FCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088171095 1258689722 /nfs/dbraw/zinc/68/97/22/1258689722.db2.gz XFELIEDOGFPOSX-WBVHZDCISA-N 2 2 356.474 0.985 20 0 FCADLP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)nn1 ZINC001088170711 1258690110 /nfs/dbraw/zinc/69/01/10/1258690110.db2.gz CLHOTHNQNDGIHG-CABCVRRESA-N 2 2 370.457 0.742 20 0 FCADLP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@@H]3C2)nn1 ZINC001088170711 1258690118 /nfs/dbraw/zinc/69/01/18/1258690118.db2.gz CLHOTHNQNDGIHG-CABCVRRESA-N 2 2 370.457 0.742 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088187463 1258709631 /nfs/dbraw/zinc/70/96/31/1258709631.db2.gz ZHMGLEUCAVEATC-VYDXJSESSA-N 2 2 359.474 0.412 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)CC[C@@H]2C1 ZINC001088187463 1258709634 /nfs/dbraw/zinc/70/96/34/1258709634.db2.gz ZHMGLEUCAVEATC-VYDXJSESSA-N 2 2 359.474 0.412 20 0 FCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208417 1258732645 /nfs/dbraw/zinc/73/26/45/1258732645.db2.gz YSTGUBDVLMJRQW-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208417 1258732649 /nfs/dbraw/zinc/73/26/49/1258732649.db2.gz YSTGUBDVLMJRQW-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208417 1258732657 /nfs/dbraw/zinc/73/26/57/1258732657.db2.gz YSTGUBDVLMJRQW-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccn(C)n4)CC[C@@H]3C2)C1 ZINC001088208417 1258732659 /nfs/dbraw/zinc/73/26/59/1258732659.db2.gz YSTGUBDVLMJRQW-SOLBZPMBSA-N 2 2 361.490 0.421 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@H](C3CC3)[NH+](C)C)[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC001091156622 1258795195 /nfs/dbraw/zinc/79/51/95/1258795195.db2.gz QYUDIAFLTDHMLO-VYDXJSESSA-N 2 2 359.474 0.668 20 0 FCADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC001091156513 1258795894 /nfs/dbraw/zinc/79/58/94/1258795894.db2.gz MSIUELAXHBBFFR-HLLBOEOZSA-N 2 2 361.490 0.914 20 0 FCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092748085 1258825534 /nfs/dbraw/zinc/82/55/34/1258825534.db2.gz ODTBZYLXNYDJAZ-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001092748085 1258825542 /nfs/dbraw/zinc/82/55/42/1258825542.db2.gz ODTBZYLXNYDJAZ-OWCLPIDISA-N 2 2 359.474 0.362 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106677768 1258939547 /nfs/dbraw/zinc/93/95/47/1258939547.db2.gz HBWAMPOESRYYBI-KLHDSHLOSA-N 2 2 357.462 0.499 20 0 FCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106748188 1258953461 /nfs/dbraw/zinc/95/34/61/1258953461.db2.gz NEKINCSRNNPEDL-RBSFLKMASA-N 2 2 361.490 0.893 20 0 FCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106748188 1258953464 /nfs/dbraw/zinc/95/34/64/1258953464.db2.gz NEKINCSRNNPEDL-RBSFLKMASA-N 2 2 361.490 0.893 20 0 FCADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC001106799752 1258965405 /nfs/dbraw/zinc/96/54/05/1258965405.db2.gz OXDCBDZWNQQFNV-HZSPNIEDSA-N 2 2 371.445 0.454 20 0 FCADLP CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874449 1258985087 /nfs/dbraw/zinc/98/50/87/1258985087.db2.gz INRDIFPLMXUGBF-BZUAXINKSA-N 2 2 363.506 0.807 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC001106922475 1258996109 /nfs/dbraw/zinc/99/61/09/1258996109.db2.gz FCTSQYGVXHPWJB-GDBMZVCRSA-N 2 2 361.490 0.957 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC001106922983 1258997019 /nfs/dbraw/zinc/99/70/19/1258997019.db2.gz WGLGWCGNYDTECS-FVQBIDKESA-N 2 2 360.462 0.202 20 0 FCADLP C[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001107045170 1259024013 /nfs/dbraw/zinc/02/40/13/1259024013.db2.gz ZDRUKQIOZBHYPT-KBAYOESNSA-N 2 2 371.489 0.660 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001107077966 1259027767 /nfs/dbraw/zinc/02/77/67/1259027767.db2.gz VBWJKCBFJLLRQW-BRWVUGGUSA-N 2 2 361.490 0.968 20 0 FCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001107077967 1259028822 /nfs/dbraw/zinc/02/88/22/1259028822.db2.gz VBWJKCBFJLLRQW-IXDOHACOSA-N 2 2 361.490 0.968 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC1CC1)CC2 ZINC001107491577 1259101771 /nfs/dbraw/zinc/10/17/71/1259101771.db2.gz HEDAKTUUIHVIPC-VQIMIIECSA-N 2 2 359.474 0.913 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NC1CC1)CC2 ZINC001107491577 1259101773 /nfs/dbraw/zinc/10/17/73/1259101773.db2.gz HEDAKTUUIHVIPC-VQIMIIECSA-N 2 2 359.474 0.913 20 0 FCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](Cc2nnnn2C)CC3)C1 ZINC001107546594 1259113196 /nfs/dbraw/zinc/11/31/96/1259113196.db2.gz ISUBASUWHONFHT-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](Cc2nnnn2C)CC3)C1 ZINC001107546594 1259113199 /nfs/dbraw/zinc/11/31/99/1259113199.db2.gz ISUBASUWHONFHT-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2nnnn2C)CC3)C1 ZINC001107546594 1259113203 /nfs/dbraw/zinc/11/32/03/1259113203.db2.gz ISUBASUWHONFHT-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2nnnn2C)CC3)C1 ZINC001107546594 1259113207 /nfs/dbraw/zinc/11/32/07/1259113207.db2.gz ISUBASUWHONFHT-IIDMSEBBSA-N 2 2 361.494 0.413 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195154 1259159186 /nfs/dbraw/zinc/15/91/86/1259159186.db2.gz ULBIAIGFPYFQLU-ILXRZTDVSA-N 2 2 362.478 0.702 20 0 FCADLP CC(C)(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195154 1259159190 /nfs/dbraw/zinc/15/91/90/1259159190.db2.gz ULBIAIGFPYFQLU-ILXRZTDVSA-N 2 2 362.478 0.702 20 0 FCADLP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)n1 ZINC001127547211 1259178922 /nfs/dbraw/zinc/17/89/22/1259178922.db2.gz FVLDNORACIYGFN-RHSMWYFYSA-N 2 2 371.489 0.768 20 0 FCADLP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(N)=O ZINC001127547513 1259179393 /nfs/dbraw/zinc/17/93/93/1259179393.db2.gz LYNIWAAFUFCZMB-BZUAXINKSA-N 2 2 361.490 0.904 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043801 1259297788 /nfs/dbraw/zinc/29/77/88/1259297788.db2.gz YYDWENKIMBFEBV-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043801 1259297793 /nfs/dbraw/zinc/29/77/93/1259297793.db2.gz YYDWENKIMBFEBV-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043801 1259297796 /nfs/dbraw/zinc/29/77/96/1259297796.db2.gz YYDWENKIMBFEBV-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129043801 1259297802 /nfs/dbraw/zinc/29/78/02/1259297802.db2.gz YYDWENKIMBFEBV-BMFZPTHFSA-N 2 2 359.434 0.012 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064669 1259303509 /nfs/dbraw/zinc/30/35/09/1259303509.db2.gz KVRWMWKGOUSCJM-ZACQAIPSSA-N 2 2 357.462 0.555 20 0 FCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129064669 1259303514 /nfs/dbraw/zinc/30/35/14/1259303514.db2.gz KVRWMWKGOUSCJM-ZACQAIPSSA-N 2 2 357.462 0.555 20 0 FCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122925 1259323243 /nfs/dbraw/zinc/32/32/43/1259323243.db2.gz XVEJIHWEIHHRMU-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](n2ccnn2)C1 ZINC001129122925 1259323251 /nfs/dbraw/zinc/32/32/51/1259323251.db2.gz XVEJIHWEIHHRMU-ZNMIVQPWSA-N 2 2 361.450 0.021 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271427 1259361101 /nfs/dbraw/zinc/36/11/01/1259361101.db2.gz DUCYLHZCOOTRHT-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129271427 1259361106 /nfs/dbraw/zinc/36/11/06/1259361106.db2.gz DUCYLHZCOOTRHT-SQNIBIBYSA-N 2 2 371.489 0.863 20 0 FCADLP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405954 1259491907 /nfs/dbraw/zinc/49/19/07/1259491907.db2.gz GEKUKNSHNSBVAX-YQHFMZHWSA-N 2 2 363.506 0.985 20 0 FCADLP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212405954 1259491913 /nfs/dbraw/zinc/49/19/13/1259491913.db2.gz GEKUKNSHNSBVAX-YQHFMZHWSA-N 2 2 363.506 0.985 20 0 FCADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408116 1259494266 /nfs/dbraw/zinc/49/42/66/1259494266.db2.gz MJBDNCHVBLTVGD-BZUAXINKSA-N 2 2 368.522 0.447 20 0 FCADLP CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212408116 1259494274 /nfs/dbraw/zinc/49/42/74/1259494274.db2.gz MJBDNCHVBLTVGD-BZUAXINKSA-N 2 2 368.522 0.447 20 0 FCADLP COCCOCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212463223 1259516153 /nfs/dbraw/zinc/51/61/53/1259516153.db2.gz XJHFKVCPHDBLGA-IAGOWNOFSA-N 2 2 362.430 0.655 20 0 FCADLP COCCOCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212463223 1259516160 /nfs/dbraw/zinc/51/61/60/1259516160.db2.gz XJHFKVCPHDBLGA-IAGOWNOFSA-N 2 2 362.430 0.655 20 0 FCADLP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001212485316 1259522392 /nfs/dbraw/zinc/52/23/92/1259522392.db2.gz XYPCEZWGVLCXLU-KBAYOESNSA-N 2 2 362.474 0.688 20 0 FCADLP CO[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001212485316 1259522396 /nfs/dbraw/zinc/52/23/96/1259522396.db2.gz XYPCEZWGVLCXLU-KBAYOESNSA-N 2 2 362.474 0.688 20 0 FCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212486996 1259524288 /nfs/dbraw/zinc/52/42/88/1259524288.db2.gz NGTYYUFGOJNXJK-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212486996 1259524293 /nfs/dbraw/zinc/52/42/93/1259524293.db2.gz NGTYYUFGOJNXJK-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212486996 1259524296 /nfs/dbraw/zinc/52/42/96/1259524296.db2.gz NGTYYUFGOJNXJK-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212486996 1259524300 /nfs/dbraw/zinc/52/43/00/1259524300.db2.gz NGTYYUFGOJNXJK-HZPDHXFCSA-N 2 2 368.522 0.545 20 0 FCADLP CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212509872 1259532463 /nfs/dbraw/zinc/53/24/63/1259532463.db2.gz NJACLUCAANERIA-BZUAXINKSA-N 2 2 366.506 0.474 20 0 FCADLP CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212509872 1259532469 /nfs/dbraw/zinc/53/24/69/1259532469.db2.gz NJACLUCAANERIA-BZUAXINKSA-N 2 2 366.506 0.474 20 0 FCADLP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001227867411 1259540794 /nfs/dbraw/zinc/54/07/94/1259540794.db2.gz GNSMMOOUZUVRQU-ARFHVFGLSA-N 2 2 366.462 0.118 20 0 FCADLP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001227867411 1259540810 /nfs/dbraw/zinc/54/08/10/1259540810.db2.gz GNSMMOOUZUVRQU-ARFHVFGLSA-N 2 2 366.462 0.118 20 0 FCADLP c1cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001235054644 1259567447 /nfs/dbraw/zinc/56/74/47/1259567447.db2.gz QRWUHEYUDKIADD-HXUWFJFHSA-N 2 2 360.502 0.535 20 0 FCADLP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198153 1259569347 /nfs/dbraw/zinc/56/93/47/1259569347.db2.gz CQRGOBNYYZTDTG-NRFANRHFSA-N 3 2 374.529 0.673 20 0 FCADLP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235198153 1259569353 /nfs/dbraw/zinc/56/93/53/1259569353.db2.gz CQRGOBNYYZTDTG-NRFANRHFSA-N 3 2 374.529 0.673 20 0 FCADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235542519 1259575833 /nfs/dbraw/zinc/57/58/33/1259575833.db2.gz RUAKTJUCCPIVPC-GGPKGHCWSA-N 2 2 361.486 0.610 20 0 FCADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235542519 1259575838 /nfs/dbraw/zinc/57/58/38/1259575838.db2.gz RUAKTJUCCPIVPC-GGPKGHCWSA-N 2 2 361.486 0.610 20 0 FCADLP C[NH+]1CCN(C(=O)c2cccc(-c3nccc(N4CC[NH2+]CC4)n3)c2)CC1 ZINC001241876900 1259631881 /nfs/dbraw/zinc/63/18/81/1259631881.db2.gz WWRYPAAWRLXJFD-UHFFFAOYSA-N 2 2 366.469 0.941 20 0 FCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001335393397 1259641113 /nfs/dbraw/zinc/64/11/13/1259641113.db2.gz SKNUKTCGJBZYFU-HZPDHXFCSA-N 2 2 361.490 0.658 20 0 FCADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246700429 1259662163 /nfs/dbraw/zinc/66/21/63/1259662163.db2.gz JACYRPBBKNPFKV-XYPWUTKMSA-N 2 2 372.517 0.449 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)C[NH2+]1 ZINC001246706790 1259663962 /nfs/dbraw/zinc/66/39/62/1259663962.db2.gz MDODYHQSGKPOBI-RDGPPVDQSA-N 2 2 374.485 0.569 20 0 FCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)C[NH2+]1 ZINC001246706790 1259663970 /nfs/dbraw/zinc/66/39/70/1259663970.db2.gz MDODYHQSGKPOBI-RDGPPVDQSA-N 2 2 374.485 0.569 20 0 FCADLP C[C@H]1CC[C@H](N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C[NH2+]1 ZINC001246705809 1259664363 /nfs/dbraw/zinc/66/43/63/1259664363.db2.gz YSDMVBGMFWQFPO-GJZGRUSLSA-N 2 2 360.506 0.306 20 0 FCADLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737596 1259672300 /nfs/dbraw/zinc/67/23/00/1259672300.db2.gz JLWGXBMQIBGTOX-YRXWBPOGSA-N 3 2 373.549 0.545 20 0 FCADLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737596 1259672310 /nfs/dbraw/zinc/67/23/10/1259672310.db2.gz JLWGXBMQIBGTOX-YRXWBPOGSA-N 3 2 373.549 0.545 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737596 1259672320 /nfs/dbraw/zinc/67/23/20/1259672320.db2.gz JLWGXBMQIBGTOX-YRXWBPOGSA-N 3 2 373.549 0.545 20 0 FCADLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246737596 1259672333 /nfs/dbraw/zinc/67/23/33/1259672333.db2.gz JLWGXBMQIBGTOX-YRXWBPOGSA-N 3 2 373.549 0.545 20 0 FCADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1[NH3+] ZINC001246929440 1259696002 /nfs/dbraw/zinc/69/60/02/1259696002.db2.gz DGNYHTHVIPRRIX-BMSWRWNDSA-N 2 2 359.470 0.851 20 0 FCADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1[NH3+] ZINC001246929440 1259696011 /nfs/dbraw/zinc/69/60/11/1259696011.db2.gz DGNYHTHVIPRRIX-BMSWRWNDSA-N 2 2 359.470 0.851 20 0 FCADLP [NH3+][C@@H](Cc1nn[nH]n1)c1nc(-c2ncccc2C=C[NH+]2CCCC2)no1 ZINC001247301308 1259698875 /nfs/dbraw/zinc/69/88/75/1259698875.db2.gz TWKFWVVPOZWMTJ-LHXVZLOVSA-N 2 2 353.390 0.954 20 0 FCADLP COc1cc(C)cc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)c1 ZINC001247333413 1259701686 /nfs/dbraw/zinc/70/16/86/1259701686.db2.gz MOMYRPRNKXXLSU-AWEZNQCLSA-N 2 2 356.386 0.963 20 0 FCADLP C[NH+]1CCN(Cc2cccc(-c3noc(C45C[NH2+]CC4C[NH2+]C5)n3)c2)CC1 ZINC001247850151 1259707517 /nfs/dbraw/zinc/70/75/17/1259707517.db2.gz IFENSLVLOTZLFQ-UHFFFAOYSA-N 3 2 368.485 0.544 20 0 FCADLP CN1CC[NH+](Cc2cccc(-c3noc(C45C[NH2+]CC4C[NH2+]C5)n3)c2)CC1 ZINC001247850151 1259707526 /nfs/dbraw/zinc/70/75/26/1259707526.db2.gz IFENSLVLOTZLFQ-UHFFFAOYSA-N 3 2 368.485 0.544 20 0 FCADLP COc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251034675 1259734269 /nfs/dbraw/zinc/73/42/69/1259734269.db2.gz AILQURIOEVMGIV-LJQANCHMSA-N 2 2 363.502 0.942 20 0 FCADLP Cc1ccc(NCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)[nH+]c1 ZINC001335646903 1259762535 /nfs/dbraw/zinc/76/25/35/1259762535.db2.gz ZQSFQGDTMOBADS-OAHLLOKOSA-N 2 2 360.462 0.408 20 0 FCADLP CCC[C@H](O)C[N@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252781361 1259807980 /nfs/dbraw/zinc/80/79/80/1259807980.db2.gz GYZWHCBMSCZPRN-IRXDYDNUSA-N 2 2 366.506 0.829 20 0 FCADLP CCC[C@H](O)C[N@@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001252781361 1259807983 /nfs/dbraw/zinc/80/79/83/1259807983.db2.gz GYZWHCBMSCZPRN-IRXDYDNUSA-N 2 2 366.506 0.829 20 0 FCADLP COC(=O)CC(CC(=O)OC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948451 1259812301 /nfs/dbraw/zinc/81/23/01/1259812301.db2.gz OUGGVWXFKCUWLD-LJQANCHMSA-N 2 2 364.442 0.708 20 0 FCADLP COC(=O)CC(CC(=O)OC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948451 1259812308 /nfs/dbraw/zinc/81/23/08/1259812308.db2.gz OUGGVWXFKCUWLD-LJQANCHMSA-N 2 2 364.442 0.708 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1=O ZINC001252931272 1259814023 /nfs/dbraw/zinc/81/40/23/1259814023.db2.gz JIWCGZYCINJWBX-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1=O ZINC001252931272 1259814031 /nfs/dbraw/zinc/81/40/31/1259814031.db2.gz JIWCGZYCINJWBX-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931272 1259814038 /nfs/dbraw/zinc/81/40/38/1259814038.db2.gz JIWCGZYCINJWBX-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP C[NH+](C)CCN1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC001252931272 1259814044 /nfs/dbraw/zinc/81/40/44/1259814044.db2.gz JIWCGZYCINJWBX-OAQYLSRUSA-N 3 2 374.529 0.719 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943230 1259814140 /nfs/dbraw/zinc/81/41/40/1259814140.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943230 1259814147 /nfs/dbraw/zinc/81/41/47/1259814147.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943230 1259814154 /nfs/dbraw/zinc/81/41/54/1259814154.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 2 358.442 0.720 20 0 FCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943230 1259814160 /nfs/dbraw/zinc/81/41/60/1259814160.db2.gz HIWMTPNKGLBBKD-PKOBYXMFSA-N 2 2 358.442 0.720 20 0 FCADLP Cn1cc(C2=NO[C@@H](C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cn1 ZINC001335741062 1259816995 /nfs/dbraw/zinc/81/69/95/1259816995.db2.gz FHGMSWXIYJOAHM-GOSISDBHSA-N 2 2 374.489 0.588 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253182389 1259827769 /nfs/dbraw/zinc/82/77/69/1259827769.db2.gz ORDVMYXONSZZGQ-SFHVURJKSA-N 3 2 364.534 0.513 20 0 FCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253182389 1259827779 /nfs/dbraw/zinc/82/77/79/1259827779.db2.gz ORDVMYXONSZZGQ-SFHVURJKSA-N 3 2 364.534 0.513 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001253455935 1259842247 /nfs/dbraw/zinc/84/22/47/1259842247.db2.gz YFULUCSLWFXRIW-CYBMUJFWSA-N 2 2 368.478 0.500 20 0 FCADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](C[C@@H](O)COC(C)(C)C)CC2 ZINC001253455935 1259842257 /nfs/dbraw/zinc/84/22/57/1259842257.db2.gz YFULUCSLWFXRIW-CYBMUJFWSA-N 2 2 368.478 0.500 20 0 FCADLP CC(C)[C@@H](O)C[N@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001253760860 1259853865 /nfs/dbraw/zinc/85/38/65/1259853865.db2.gz JBXWSTLFCXZONT-AEFFLSMTSA-N 2 2 366.506 0.685 20 0 FCADLP CC(C)[C@@H](O)C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001253760860 1259853870 /nfs/dbraw/zinc/85/38/70/1259853870.db2.gz JBXWSTLFCXZONT-AEFFLSMTSA-N 2 2 366.506 0.685 20 0 FCADLP CC(C)[C@H](O)C[N@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001253760866 1259853891 /nfs/dbraw/zinc/85/38/91/1259853891.db2.gz JBXWSTLFCXZONT-FUHWJXTLSA-N 2 2 366.506 0.685 20 0 FCADLP CC(C)[C@H](O)C[N@@H+]1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001253760866 1259853899 /nfs/dbraw/zinc/85/38/99/1259853899.db2.gz JBXWSTLFCXZONT-FUHWJXTLSA-N 2 2 366.506 0.685 20 0 FCADLP COc1cccc(OC[C@H](O)C[NH2+]CCC(=O)NCCc2c[nH]c[nH+]2)c1 ZINC001253977046 1259867329 /nfs/dbraw/zinc/86/73/29/1259867329.db2.gz WVOIHBFIMBPACP-OAHLLOKOSA-N 2 2 362.430 0.497 20 0 FCADLP COc1cccc(OC[C@H](O)C[NH2+]CCC(=O)NCCc2c[nH+]c[nH]2)c1 ZINC001253977046 1259867333 /nfs/dbraw/zinc/86/73/33/1259867333.db2.gz WVOIHBFIMBPACP-OAHLLOKOSA-N 2 2 362.430 0.497 20 0 FCADLP C[NH+]1CCN(C2CN(CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001254041504 1259869659 /nfs/dbraw/zinc/86/96/59/1259869659.db2.gz LIBIMWAHPVTZOW-UHFFFAOYSA-N 2 2 358.530 0.945 20 0 FCADLP CCOC(=O)C[NH+]1CCC(n2nc(C(=O)N(C)C)c3c2CC[NH2+]C3)CC1 ZINC001254407897 1259881644 /nfs/dbraw/zinc/88/16/44/1259881644.db2.gz PHZRNKUJOCGBCT-UHFFFAOYSA-N 2 2 363.462 0.431 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4n[nH]c(=O)cc4C3)C2)CC1 ZINC001255208052 1259908013 /nfs/dbraw/zinc/90/80/13/1259908013.db2.gz QICQFLPERRLORQ-CQSZACIVSA-N 2 2 360.462 0.418 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCc4n[nH]c(=O)cc4C3)C2)CC1 ZINC001255208052 1259908016 /nfs/dbraw/zinc/90/80/16/1259908016.db2.gz QICQFLPERRLORQ-CQSZACIVSA-N 2 2 360.462 0.418 20 0 FCADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001336185534 1260030637 /nfs/dbraw/zinc/03/06/37/1260030637.db2.gz GWTAMAWJDGLRPE-UHFFFAOYSA-N 2 2 372.535 0.433 20 0 FCADLP C[C@H](Cc1ccco1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001258185860 1260038547 /nfs/dbraw/zinc/03/85/47/1260038547.db2.gz SFLCOYSNZXLBMU-KCXAZCMYSA-N 2 2 359.430 0.626 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001262030779 1260247961 /nfs/dbraw/zinc/24/79/61/1260247961.db2.gz WIRCGVYQOIYLRG-INIZCTEOSA-N 2 2 362.474 0.889 20 0 FCADLP CCOC(=O)c1c[nH+]ccc1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001262030779 1260247967 /nfs/dbraw/zinc/24/79/67/1260247967.db2.gz WIRCGVYQOIYLRG-INIZCTEOSA-N 2 2 362.474 0.889 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001262046821 1260250470 /nfs/dbraw/zinc/25/04/70/1260250470.db2.gz ZHZBLVCDBAQHPC-WOJBJXKFSA-N 2 2 372.513 0.614 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001262046821 1260250475 /nfs/dbraw/zinc/25/04/75/1260250475.db2.gz ZHZBLVCDBAQHPC-WOJBJXKFSA-N 2 2 372.513 0.614 20 0 FCADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001262046819 1260250830 /nfs/dbraw/zinc/25/08/30/1260250830.db2.gz ZHZBLVCDBAQHPC-UXHICEINSA-N 2 2 372.513 0.614 20 0 FCADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001262046819 1260250837 /nfs/dbraw/zinc/25/08/37/1260250837.db2.gz ZHZBLVCDBAQHPC-UXHICEINSA-N 2 2 372.513 0.614 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001271683479 1260446400 /nfs/dbraw/zinc/44/64/00/1260446400.db2.gz PRJKZUWYHJZTEW-GVDBMIGSSA-N 2 2 357.458 0.427 20 0 FCADLP CN(C)CC[N@@H+]1CCC[C@]2(CCCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001272867136 1260520183 /nfs/dbraw/zinc/52/01/83/1260520183.db2.gz CSTXFQSGPPGJSA-FQEVSTJZSA-N 2 2 365.566 0.500 20 0 FCADLP CN(C)CC[N@H+]1CCC[C@]2(CCCN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001272867136 1260520191 /nfs/dbraw/zinc/52/01/91/1260520191.db2.gz CSTXFQSGPPGJSA-FQEVSTJZSA-N 2 2 365.566 0.500 20 0 FCADLP Cn1c[nH+]cc1CN1CC[C@]2(CCCN2C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC001273193441 1260620345 /nfs/dbraw/zinc/62/03/45/1260620345.db2.gz ZTGZKCMXBDIWTG-ZRGWGRIASA-N 2 2 359.474 0.854 20 0 FCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211423 1260624555 /nfs/dbraw/zinc/62/45/55/1260624555.db2.gz XRSAMGUHPCIEJK-PKOBYXMFSA-N 2 2 361.490 0.945 20 0 FCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211423 1260624563 /nfs/dbraw/zinc/62/45/63/1260624563.db2.gz XRSAMGUHPCIEJK-PKOBYXMFSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211423 1260624570 /nfs/dbraw/zinc/62/45/70/1260624570.db2.gz XRSAMGUHPCIEJK-PKOBYXMFSA-N 2 2 361.490 0.945 20 0 FCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(CCC[N@@H+](Cc4cn[nH]c4)C3)C2)C1 ZINC001273211423 1260624575 /nfs/dbraw/zinc/62/45/75/1260624575.db2.gz XRSAMGUHPCIEJK-PKOBYXMFSA-N 2 2 361.490 0.945 20 0 FCADLP CCOC(=O)c1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001279016159 1260773629 /nfs/dbraw/zinc/77/36/29/1260773629.db2.gz KVBJYNUCLWYJQV-KBPBESRZSA-N 2 2 361.446 0.229 20 0 FCADLP CCOC(=O)c1n[nH]cc1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001279016159 1260773634 /nfs/dbraw/zinc/77/36/34/1260773634.db2.gz KVBJYNUCLWYJQV-KBPBESRZSA-N 2 2 361.446 0.229 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCOCC1 ZINC001279246763 1260810982 /nfs/dbraw/zinc/81/09/82/1260810982.db2.gz NPXGCZJAQKVPSC-OTWHNJEPSA-N 2 2 362.518 0.478 20 0 FCADLP O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCOCC1 ZINC001279246763 1260810984 /nfs/dbraw/zinc/81/09/84/1260810984.db2.gz NPXGCZJAQKVPSC-OTWHNJEPSA-N 2 2 362.518 0.478 20 0 FCADLP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccon4)CC3)[C@@H]2C1 ZINC001279285358 1260822631 /nfs/dbraw/zinc/82/26/31/1260822631.db2.gz NZRDWCKGOOEPFZ-HZPDHXFCSA-N 2 2 364.446 0.308 20 0 FCADLP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccon4)CC3)[C@@H]2C1 ZINC001279285358 1260822633 /nfs/dbraw/zinc/82/26/33/1260822633.db2.gz NZRDWCKGOOEPFZ-HZPDHXFCSA-N 2 2 364.446 0.308 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279353641 1260846534 /nfs/dbraw/zinc/84/65/34/1260846534.db2.gz GSUAMJPXLXKADY-HOTGVXAUSA-N 2 2 355.446 0.345 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001279353641 1260846536 /nfs/dbraw/zinc/84/65/36/1260846536.db2.gz GSUAMJPXLXKADY-HOTGVXAUSA-N 2 2 355.446 0.345 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279353643 1260846891 /nfs/dbraw/zinc/84/68/91/1260846891.db2.gz GSUAMJPXLXKADY-HZPDHXFCSA-N 2 2 355.446 0.345 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001279353643 1260846899 /nfs/dbraw/zinc/84/68/99/1260846899.db2.gz GSUAMJPXLXKADY-HZPDHXFCSA-N 2 2 355.446 0.345 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001279353367 1260846918 /nfs/dbraw/zinc/84/69/18/1260846918.db2.gz DCDRFBSCIWEQKL-IAGOWNOFSA-N 2 2 354.458 0.950 20 0 FCADLP O=C1NC2(CC[NH+](Cc3c[nH]cn3)CC2)[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@@H]12 ZINC001279353367 1260846924 /nfs/dbraw/zinc/84/69/24/1260846924.db2.gz DCDRFBSCIWEQKL-IAGOWNOFSA-N 2 2 354.458 0.950 20 0 FCADLP Cc1nc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCN(C)C)C[C@H]23)co1 ZINC001279385125 1260852708 /nfs/dbraw/zinc/85/27/08/1260852708.db2.gz PXSPDEAKINBFOQ-IAGOWNOFSA-N 2 2 361.490 0.557 20 0 FCADLP Cc1nc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCN(C)C)C[C@H]23)co1 ZINC001279385125 1260852711 /nfs/dbraw/zinc/85/27/11/1260852711.db2.gz PXSPDEAKINBFOQ-IAGOWNOFSA-N 2 2 361.490 0.557 20 0 FCADLP CCCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001279395673 1260857723 /nfs/dbraw/zinc/85/77/23/1260857723.db2.gz MAJUQBBAPFAWRO-QKPAOTATSA-N 2 2 359.474 0.440 20 0 FCADLP CCCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001279395673 1260857728 /nfs/dbraw/zinc/85/77/28/1260857728.db2.gz MAJUQBBAPFAWRO-QKPAOTATSA-N 2 2 359.474 0.440 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001279573376 1260895227 /nfs/dbraw/zinc/89/52/27/1260895227.db2.gz BJSYWFGOEVUFOB-UHFFFAOYSA-N 2 2 358.446 0.991 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001279573376 1260895232 /nfs/dbraw/zinc/89/52/32/1260895232.db2.gz BJSYWFGOEVUFOB-UHFFFAOYSA-N 2 2 358.446 0.991 20 0 FCADLP COc1cc(N2CCN(CC[NH+](C)C)C[C@@]3(CCCC(=O)N3)C2)cc[nH+]1 ZINC001279789666 1260936338 /nfs/dbraw/zinc/93/63/38/1260936338.db2.gz UTUCPCPQPLMYMV-IBGZPJMESA-N 2 2 361.490 0.813 20 0 FCADLP O=C(NCC1COC1)[C@@H]1COCCC12C[NH+](CCC[NH+]1CCCCC1)C2 ZINC001279842825 1260942207 /nfs/dbraw/zinc/94/22/07/1260942207.db2.gz GAUIVGDYILKKLF-SFHVURJKSA-N 2 2 365.518 0.964 20 0 FCADLP CN(C)c1ncc(C[NH+]2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)cn1 ZINC001279880205 1260949899 /nfs/dbraw/zinc/94/98/99/1260949899.db2.gz VDZPIXOSXSQDFN-MRXNPFEDSA-N 2 2 358.490 0.575 20 0 FCADLP Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001280047360 1260985819 /nfs/dbraw/zinc/98/58/19/1260985819.db2.gz GYXLWCSOKPCUMV-HOTGVXAUSA-N 2 2 351.414 0.952 20 0 FCADLP Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001280047360 1260985825 /nfs/dbraw/zinc/98/58/25/1260985825.db2.gz GYXLWCSOKPCUMV-HOTGVXAUSA-N 2 2 351.414 0.952 20 0 FCADLP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280221689 1261038969 /nfs/dbraw/zinc/03/89/69/1261038969.db2.gz ZWLIZJOMJGZUCD-IRXDYDNUSA-N 3 2 368.522 0.071 20 0 FCADLP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC[NH+](C)C)CC3)[C@H]2C1 ZINC001280221689 1261038970 /nfs/dbraw/zinc/03/89/70/1261038970.db2.gz ZWLIZJOMJGZUCD-IRXDYDNUSA-N 3 2 368.522 0.071 20 0 FCADLP CN(C(=O)CCC[NH+](C)C)C1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001281353166 1261113782 /nfs/dbraw/zinc/11/37/82/1261113782.db2.gz DEQVINNZSAWBHL-QDIHITRGSA-N 2 2 361.490 0.971 20 0 FCADLP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001281709840 1261165926 /nfs/dbraw/zinc/16/59/26/1261165926.db2.gz FMOGGQZTPLNWNR-HZPDHXFCSA-N 2 2 359.430 0.206 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001281851811 1261234549 /nfs/dbraw/zinc/23/45/49/1261234549.db2.gz KAMXTWSCISIZEM-HUUCEWRRSA-N 2 2 365.478 0.037 20 0 FCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001345185698 1261648093 /nfs/dbraw/zinc/64/80/93/1261648093.db2.gz LEBZAHYVIYMNJK-INIZCTEOSA-N 2 2 371.485 0.769 20 0 FCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC3(C4CC4)CC3)CC2)CC1 ZINC001345540263 1261734419 /nfs/dbraw/zinc/73/44/19/1261734419.db2.gz PLUHVDABTMIFFO-UHFFFAOYSA-N 2 2 362.518 0.968 20 0 FCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001285238102 1261824969 /nfs/dbraw/zinc/82/49/69/1261824969.db2.gz LZOHDSOFJJXEEU-RRFJBIMHSA-N 2 2 361.490 0.734 20 0 FCADLP COCC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001301877394 1263025622 /nfs/dbraw/zinc/02/56/22/1263025622.db2.gz MBZOJGFQIXKZQG-UHFFFAOYSA-N 2 2 366.510 0.466 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089569 1263128723 /nfs/dbraw/zinc/12/87/23/1263128723.db2.gz BPEUVHGVBMSRCZ-BZUAXINKSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089569 1263128726 /nfs/dbraw/zinc/12/87/26/1263128726.db2.gz BPEUVHGVBMSRCZ-BZUAXINKSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089569 1263128732 /nfs/dbraw/zinc/12/87/32/1263128732.db2.gz BPEUVHGVBMSRCZ-BZUAXINKSA-N 2 2 374.445 0.079 20 0 FCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001304089569 1263128736 /nfs/dbraw/zinc/12/87/36/1263128736.db2.gz BPEUVHGVBMSRCZ-BZUAXINKSA-N 2 2 374.445 0.079 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3CNC(=O)C3)CC2)CC1 ZINC001478821326 1263146574 /nfs/dbraw/zinc/14/65/74/1263146574.db2.gz XNHUYEIQTSNRBS-HNNXBMFYSA-N 2 2 351.495 0.324 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3CNC(=O)C3)CC2)CC1 ZINC001478821326 1263146578 /nfs/dbraw/zinc/14/65/78/1263146578.db2.gz XNHUYEIQTSNRBS-HNNXBMFYSA-N 2 2 351.495 0.324 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580374322 1278185378 /nfs/dbraw/zinc/18/53/78/1278185378.db2.gz BJAFTXVZUJPUFZ-IVMMDQJWSA-N 2 2 370.461 0.829 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001580374322 1278185383 /nfs/dbraw/zinc/18/53/83/1278185383.db2.gz BJAFTXVZUJPUFZ-IVMMDQJWSA-N 2 2 370.461 0.829 20 0 FCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC001308228940 1263217822 /nfs/dbraw/zinc/21/78/22/1263217822.db2.gz MIUJYHWLJWARLB-UHFFFAOYSA-N 2 2 371.441 0.712 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1cnn(C)c1 ZINC001479502225 1263226937 /nfs/dbraw/zinc/22/69/37/1263226937.db2.gz KQXPHONLNKKIOF-RRQGHBQHSA-N 2 2 360.462 0.695 20 0 FCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001479502225 1263226946 /nfs/dbraw/zinc/22/69/46/1263226946.db2.gz KQXPHONLNKKIOF-RRQGHBQHSA-N 2 2 360.462 0.695 20 0 FCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001479580332 1263263837 /nfs/dbraw/zinc/26/38/37/1263263837.db2.gz PTGICFVYZQFOMM-OWCLPIDISA-N 2 2 360.462 0.427 20 0 FCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001484572803 1263479278 /nfs/dbraw/zinc/47/92/78/1263479278.db2.gz SVDBTWJWEFVDBR-SMLCLMEVSA-N 2 2 364.490 0.796 20 0 FCADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001318459959 1263577232 /nfs/dbraw/zinc/57/72/32/1263577232.db2.gz AZKNHMIVEVCGSC-ROUUACIJSA-N 2 2 358.486 0.965 20 0 FCADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001318459959 1263577239 /nfs/dbraw/zinc/57/72/39/1263577239.db2.gz AZKNHMIVEVCGSC-ROUUACIJSA-N 2 2 358.486 0.965 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001318459959 1263577245 /nfs/dbraw/zinc/57/72/45/1263577245.db2.gz AZKNHMIVEVCGSC-ROUUACIJSA-N 2 2 358.486 0.965 20 0 FCADLP NC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001318459959 1263577249 /nfs/dbraw/zinc/57/72/49/1263577249.db2.gz AZKNHMIVEVCGSC-ROUUACIJSA-N 2 2 358.486 0.965 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC001320030054 1263755882 /nfs/dbraw/zinc/75/58/82/1263755882.db2.gz GKUWPYLLDOHAPP-IRXDYDNUSA-N 2 2 360.506 0.405 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001320030054 1263755886 /nfs/dbraw/zinc/75/58/86/1263755886.db2.gz GKUWPYLLDOHAPP-IRXDYDNUSA-N 2 2 360.506 0.405 20 0 FCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001320146430 1263766848 /nfs/dbraw/zinc/76/68/48/1263766848.db2.gz YOSNDTGNLHCOKL-KRWDZBQOSA-N 2 2 361.490 0.738 20 0 FCADLP CCN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)C1([NH+](C)C)CCC1 ZINC001496980691 1263906208 /nfs/dbraw/zinc/90/62/08/1263906208.db2.gz HJIUMLDGTQUYKU-HUUCEWRRSA-N 2 2 361.490 0.973 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@@H+]1C ZINC001496979914 1263906316 /nfs/dbraw/zinc/90/63/16/1263906316.db2.gz WWMRCTJQWUDUAY-FRRDWIJNSA-N 2 2 353.467 0.274 20 0 FCADLP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2nc(C(C)(C)C)no2)CC[N@H+]1C ZINC001496979914 1263906325 /nfs/dbraw/zinc/90/63/25/1263906325.db2.gz WWMRCTJQWUDUAY-FRRDWIJNSA-N 2 2 353.467 0.274 20 0 FCADLP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)[NH+]1CCOCC1 ZINC001321643032 1264020491 /nfs/dbraw/zinc/02/04/91/1264020491.db2.gz ONDPSQWDIKEXBR-BBWFWOEESA-N 2 2 368.522 0.448 20 0 FCADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942170 1264105649 /nfs/dbraw/zinc/10/56/49/1264105649.db2.gz SXMCBYIAXVNEHL-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001321942170 1264105653 /nfs/dbraw/zinc/10/56/53/1264105653.db2.gz SXMCBYIAXVNEHL-IAGOWNOFSA-N 2 2 366.506 0.300 20 0 FCADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001322689963 1264243950 /nfs/dbraw/zinc/24/39/50/1264243950.db2.gz XCYJTLRITFZXPS-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322767869 1264259479 /nfs/dbraw/zinc/25/94/79/1264259479.db2.gz SEYOVUGQDYURIC-ZDUSSCGKSA-N 2 2 363.462 0.414 20 0 FCADLP Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322767869 1264259483 /nfs/dbraw/zinc/25/94/83/1264259483.db2.gz SEYOVUGQDYURIC-ZDUSSCGKSA-N 2 2 363.462 0.414 20 0 FCADLP COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001511863367 1264597212 /nfs/dbraw/zinc/59/72/12/1264597212.db2.gz ITURIJDYYKHINM-HUUCEWRRSA-N 2 2 365.478 0.192 20 0 FCADLP COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001511863367 1264597214 /nfs/dbraw/zinc/59/72/14/1264597214.db2.gz ITURIJDYYKHINM-HUUCEWRRSA-N 2 2 365.478 0.192 20 0 FCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)no1 ZINC001324615591 1264680112 /nfs/dbraw/zinc/68/01/12/1264680112.db2.gz FLUMNTNJKWOJER-MRXNPFEDSA-N 2 2 358.442 0.885 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC001324907601 1264733779 /nfs/dbraw/zinc/73/37/79/1264733779.db2.gz SPRHKNCKBWJTST-BRWVUGGUSA-N 2 2 359.474 0.989 20 0 FCADLP C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC001324907601 1264733782 /nfs/dbraw/zinc/73/37/82/1264733782.db2.gz SPRHKNCKBWJTST-BRWVUGGUSA-N 2 2 359.474 0.989 20 0 FCADLP O=C(NC[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC001326277405 1265091613 /nfs/dbraw/zinc/09/16/13/1265091613.db2.gz LSIISKSKUYUNNF-UKRRQHHQSA-N 2 2 358.446 0.103 20 0 FCADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC001326277405 1265091630 /nfs/dbraw/zinc/09/16/30/1265091630.db2.gz LSIISKSKUYUNNF-UKRRQHHQSA-N 2 2 358.446 0.103 20 0 FCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC34CCC(CC3)C4)C2)CC1 ZINC001326624453 1265145307 /nfs/dbraw/zinc/14/53/07/1265145307.db2.gz SQVUAJUALXDBTA-NGEICVOHSA-N 2 2 362.518 0.968 20 0 FCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC34CCC(CC3)C4)C2)CC1 ZINC001326624453 1265145312 /nfs/dbraw/zinc/14/53/12/1265145312.db2.gz SQVUAJUALXDBTA-NGEICVOHSA-N 2 2 362.518 0.968 20 0 FCADLP C[C@H](CO)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001327366647 1265291663 /nfs/dbraw/zinc/29/16/63/1265291663.db2.gz DJMZWHPHADRWRQ-DOTOQJQBSA-N 2 2 368.522 0.138 20 0 FCADLP C[C@H](CO)CCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001327366647 1265291672 /nfs/dbraw/zinc/29/16/72/1265291672.db2.gz DJMZWHPHADRWRQ-DOTOQJQBSA-N 2 2 368.522 0.138 20 0 FCADLP C(=C\CN1CC[NH+]([C@@H]2CCOC2)CC1)\CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333570982 1266633964 /nfs/dbraw/zinc/63/39/64/1266633964.db2.gz DVWBZTAKAIDUDN-JLGNTZPISA-N 2 2 364.534 0.356 20 0 FCADLP COC(=O)c1ncoc1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001333681892 1266675510 /nfs/dbraw/zinc/67/55/10/1266675510.db2.gz FJEFTQSOHXVYNE-CYBMUJFWSA-N 2 2 364.446 0.679 20 0 FCADLP COC(=O)c1ncoc1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001333681892 1266675520 /nfs/dbraw/zinc/67/55/20/1266675520.db2.gz FJEFTQSOHXVYNE-CYBMUJFWSA-N 2 2 364.446 0.679 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H]1C[NH+](C)CCN1C ZINC001528130314 1266946752 /nfs/dbraw/zinc/94/67/52/1266946752.db2.gz KCFJMTDXHSABLE-IAGOWNOFSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H]1C[NH+](C)CCN1C ZINC001528130314 1266946771 /nfs/dbraw/zinc/94/67/71/1266946771.db2.gz KCFJMTDXHSABLE-IAGOWNOFSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@H]1C[N@H+](C)CCN1C ZINC001528130314 1266946774 /nfs/dbraw/zinc/94/67/74/1266946774.db2.gz KCFJMTDXHSABLE-IAGOWNOFSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001528130314 1266946779 /nfs/dbraw/zinc/94/67/79/1266946779.db2.gz KCFJMTDXHSABLE-IAGOWNOFSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC001528130314 1266946785 /nfs/dbraw/zinc/94/67/85/1266946785.db2.gz KCFJMTDXHSABLE-IAGOWNOFSA-N 2 2 356.559 0.146 20 0 FCADLP C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001528130314 1266946792 /nfs/dbraw/zinc/94/67/92/1266946792.db2.gz KCFJMTDXHSABLE-IAGOWNOFSA-N 2 2 356.559 0.146 20 0 FCADLP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)C2)CC1 ZINC001334933597 1267235379 /nfs/dbraw/zinc/23/53/79/1267235379.db2.gz KAQNLGNENBHZFB-IBGZPJMESA-N 2 2 357.502 0.894 20 0 FCADLP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)C2)CC1 ZINC001334933597 1267235387 /nfs/dbraw/zinc/23/53/87/1267235387.db2.gz KAQNLGNENBHZFB-IBGZPJMESA-N 2 2 357.502 0.894 20 0 FCADLP Nc1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001580460324 1278333054 /nfs/dbraw/zinc/33/30/54/1278333054.db2.gz MEPCPTIBVODQMF-GASCZTMLSA-N 2 2 350.488 0.858 20 0 FCADLP Nc1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001580460324 1278333068 /nfs/dbraw/zinc/33/30/68/1278333068.db2.gz MEPCPTIBVODQMF-GASCZTMLSA-N 2 2 350.488 0.858 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001548419342 1267699214 /nfs/dbraw/zinc/69/92/14/1267699214.db2.gz AJYFVTDPESTXQE-DLBZAZTESA-N 2 2 365.522 0.852 20 0 FCADLP CC(C)N1C(=O)N[C@H]2C[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001548419342 1267699219 /nfs/dbraw/zinc/69/92/19/1267699219.db2.gz AJYFVTDPESTXQE-DLBZAZTESA-N 2 2 365.522 0.852 20 0 FCADLP COC[C@H]1CN(c2cc(N3C[C@@H](OC)C[C@H]3C[NH+](C)C)nc[nH+]2)CCO1 ZINC001548434880 1267711121 /nfs/dbraw/zinc/71/11/21/1267711121.db2.gz HVQQKDUMAJNQDV-HRCADAONSA-N 2 2 365.478 0.484 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCC(=O)N1C1CC1 ZINC001548897847 1267766881 /nfs/dbraw/zinc/76/68/81/1267766881.db2.gz QICVAPBUJDLOQB-RKVPGOIHSA-N 2 2 374.489 0.960 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001549153815 1267832987 /nfs/dbraw/zinc/83/29/87/1267832987.db2.gz SCCDTCNVHNSGAM-RVKKMQEKSA-N 2 2 374.489 0.867 20 0 FCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC(=O)N[C@@H]1c1c[nH+]cn1C ZINC001549155254 1267833971 /nfs/dbraw/zinc/83/39/71/1267833971.db2.gz KXLJHSMHYXLTJP-KEYYUXOJSA-N 2 2 362.478 0.913 20 0 FCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549157888 1267837428 /nfs/dbraw/zinc/83/74/28/1267837428.db2.gz COYDTPYTOWGUKE-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC001549157888 1267837437 /nfs/dbraw/zinc/83/74/37/1267837437.db2.gz COYDTPYTOWGUKE-JKIFEVAISA-N 2 2 362.478 0.771 20 0 FCADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC001549176320 1267854090 /nfs/dbraw/zinc/85/40/90/1267854090.db2.gz AXFFMTUHTJYZCX-MAUKXSAKSA-N 2 2 370.457 0.959 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339267 1267913755 /nfs/dbraw/zinc/91/37/55/1267913755.db2.gz QYPSHTGEZRFZPT-PBHICJAKSA-N 2 2 360.458 0.839 20 0 FCADLP C[C@H](c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC001338339267 1267913764 /nfs/dbraw/zinc/91/37/64/1267913764.db2.gz QYPSHTGEZRFZPT-PBHICJAKSA-N 2 2 360.458 0.839 20 0 FCADLP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC001549493377 1267927744 /nfs/dbraw/zinc/92/77/44/1267927744.db2.gz OBQDCHJSEZTPFX-IRXDYDNUSA-N 2 2 350.507 0.384 20 0 FCADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2(C3CC[NH2+]CC3)CC2)CC1 ZINC001338520397 1267970335 /nfs/dbraw/zinc/97/03/35/1267970335.db2.gz PWNPCKFRHBQBAX-UHFFFAOYSA-N 2 2 372.535 0.327 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549737712 1267983977 /nfs/dbraw/zinc/98/39/77/1267983977.db2.gz LMXLEAAJBUFJCD-BEFAXECRSA-N 2 2 359.474 0.525 20 0 FCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549737716 1267984056 /nfs/dbraw/zinc/98/40/56/1267984056.db2.gz LMXLEAAJBUFJCD-KXBFYZLASA-N 2 2 359.474 0.525 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001549995104 1268032568 /nfs/dbraw/zinc/03/25/68/1268032568.db2.gz BSYQWGRFHOSEFQ-KURKYZTESA-N 2 2 352.523 0.724 20 0 FCADLP CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001549995104 1268032583 /nfs/dbraw/zinc/03/25/83/1268032583.db2.gz BSYQWGRFHOSEFQ-KURKYZTESA-N 2 2 352.523 0.724 20 0 FCADLP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCCC[C@H]2c2c[nH+]cn2C)nn1 ZINC001550238956 1268092482 /nfs/dbraw/zinc/09/24/82/1268092482.db2.gz WSEUJDHYZSIJIP-UKPHBRMFSA-N 2 2 373.461 0.467 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001550746603 1268161480 /nfs/dbraw/zinc/16/14/80/1268161480.db2.gz WKCILEARSLROJQ-AYMQEEERSA-N 2 2 360.462 0.381 20 0 FCADLP C[C@@H]1CCCn2c(CC(=O)N3C[C@@H]([NH+](C)C)[C@@H](n4ccnn4)C3)c[nH+]c21 ZINC001550869276 1268178721 /nfs/dbraw/zinc/17/87/21/1268178721.db2.gz YGYKZWNQORAHAR-BMFZPTHFSA-N 2 2 357.462 0.928 20 0 FCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498724 1268262015 /nfs/dbraw/zinc/26/20/15/1268262015.db2.gz QLLANVKYDROYSI-SIXWZSSISA-N 2 2 360.458 0.872 20 0 FCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC001551498724 1268262027 /nfs/dbraw/zinc/26/20/27/1268262027.db2.gz QLLANVKYDROYSI-SIXWZSSISA-N 2 2 360.458 0.872 20 0 FCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560565 1268270899 /nfs/dbraw/zinc/27/08/99/1268270899.db2.gz LFFUTXPZAMOECW-GJZGRUSLSA-N 2 2 364.412 0.938 20 0 FCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560565 1268270904 /nfs/dbraw/zinc/27/09/04/1268270904.db2.gz LFFUTXPZAMOECW-GJZGRUSLSA-N 2 2 364.412 0.938 20 0 FCADLP CN(C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C1CC[NH+](C2CC2)CC1 ZINC001551886272 1268306298 /nfs/dbraw/zinc/30/62/98/1268306298.db2.gz HFNOXDRJTDBMLX-ROUUACIJSA-N 2 2 351.491 0.951 20 0 FCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)cn1 ZINC001552087308 1268366777 /nfs/dbraw/zinc/36/67/77/1268366777.db2.gz MNQRCASMXAIMIP-MRXNPFEDSA-N 2 2 372.477 0.377 20 0 FCADLP CCn1cc(C[N@H+]2CCCN(C(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)CC2)cn1 ZINC001552087308 1268366786 /nfs/dbraw/zinc/36/67/86/1268366786.db2.gz MNQRCASMXAIMIP-MRXNPFEDSA-N 2 2 372.477 0.377 20 0 FCADLP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]2[NH3+])cn1 ZINC001552095607 1268372890 /nfs/dbraw/zinc/37/28/90/1268372890.db2.gz FAYUMOQTFZTONL-PMPSAXMXSA-N 2 2 355.446 0.530 20 0 FCADLP Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1C ZINC001552167910 1268400184 /nfs/dbraw/zinc/40/01/84/1268400184.db2.gz WVXGTVFJLYFEKV-IAGOWNOFSA-N 2 2 356.474 0.923 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]21 ZINC001552276158 1268430686 /nfs/dbraw/zinc/43/06/86/1268430686.db2.gz HFEYSECEWCIZSU-WOJBJXKFSA-N 2 2 359.470 0.950 20 0 FCADLP CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]21 ZINC001552276158 1268430690 /nfs/dbraw/zinc/43/06/90/1268430690.db2.gz HFEYSECEWCIZSU-WOJBJXKFSA-N 2 2 359.470 0.950 20 0 FCADLP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC001340118194 1268441504 /nfs/dbraw/zinc/44/15/04/1268441504.db2.gz GNJCNPLXQWDHBI-QAPCUYQASA-N 2 2 361.490 0.776 20 0 FCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001340137868 1268447487 /nfs/dbraw/zinc/44/74/87/1268447487.db2.gz AUECBQGEQAKPGO-RTBURBONSA-N 2 2 354.454 0.969 20 0 FCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001340137868 1268447495 /nfs/dbraw/zinc/44/74/95/1268447495.db2.gz AUECBQGEQAKPGO-RTBURBONSA-N 2 2 354.454 0.969 20 0 FCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001340137866 1268448022 /nfs/dbraw/zinc/44/80/22/1268448022.db2.gz AUECBQGEQAKPGO-RBUKOAKNSA-N 2 2 354.454 0.969 20 0 FCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001340137866 1268448027 /nfs/dbraw/zinc/44/80/27/1268448027.db2.gz AUECBQGEQAKPGO-RBUKOAKNSA-N 2 2 354.454 0.969 20 0 FCADLP Cc1c(C(=O)NC[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552431084 1268461121 /nfs/dbraw/zinc/46/11/21/1268461121.db2.gz OQULHFMONANTSE-ABHRYQDASA-N 2 2 350.467 0.348 20 0 FCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001580501131 1278411260 /nfs/dbraw/zinc/41/12/60/1278411260.db2.gz JKAMBHHRRJCUGO-LLVKDONJSA-N 2 2 354.418 0.735 20 0 FCADLP C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC001552793664 1268547220 /nfs/dbraw/zinc/54/72/20/1268547220.db2.gz DMGAZSVVBKHGRF-SFHVURJKSA-N 2 2 366.554 0.044 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)C2 ZINC001552995611 1268574263 /nfs/dbraw/zinc/57/42/63/1268574263.db2.gz FJPKPYTVTUKUCZ-DNCCFGNJSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)C2 ZINC001552995611 1268574268 /nfs/dbraw/zinc/57/42/68/1268574268.db2.gz FJPKPYTVTUKUCZ-DNCCFGNJSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C2 ZINC001552995611 1268574271 /nfs/dbraw/zinc/57/42/71/1268574271.db2.gz FJPKPYTVTUKUCZ-DNCCFGNJSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C2 ZINC001552995611 1268574273 /nfs/dbraw/zinc/57/42/73/1268574273.db2.gz FJPKPYTVTUKUCZ-DNCCFGNJSA-N 2 2 354.495 0.096 20 0 FCADLP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)NCC[NH+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995374 1268575360 /nfs/dbraw/zinc/57/53/60/1268575360.db2.gz SWUZXJZINPRDTH-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)NCC[NH+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995374 1268575363 /nfs/dbraw/zinc/57/53/63/1268575363.db2.gz SWUZXJZINPRDTH-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995374 1268575367 /nfs/dbraw/zinc/57/53/67/1268575367.db2.gz SWUZXJZINPRDTH-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](O)C2 ZINC001552995374 1268575370 /nfs/dbraw/zinc/57/53/70/1268575370.db2.gz SWUZXJZINPRDTH-GJGATLCTSA-N 2 2 368.522 0.486 20 0 FCADLP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC001553443296 1268650272 /nfs/dbraw/zinc/65/02/72/1268650272.db2.gz HCMPBZKINOGYRB-BXWFABGCSA-N 2 2 368.522 0.883 20 0 FCADLP CCOC1CC(CNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)([NH+]2CCOCC2)C1 ZINC001553482494 1268658617 /nfs/dbraw/zinc/65/86/17/1268658617.db2.gz XNGWMILOBKTOTN-RYKRPPSOSA-N 2 2 352.479 0.389 20 0 FCADLP Cc1cccn2c(CC(=O)N3C[C@@H]([NH+](C)C)[C@@H](n4ccnn4)C3)c[nH+]c12 ZINC001553931869 1268735746 /nfs/dbraw/zinc/73/57/46/1268735746.db2.gz YJNPOWYAHFNYCA-CVEARBPZSA-N 2 2 353.430 0.790 20 0 FCADLP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)Nc2ccccc2-n2cc[nH+]c2)nn1 ZINC001554035704 1268745179 /nfs/dbraw/zinc/74/51/79/1268745179.db2.gz JYEWIUIYDAUQAU-DYVFJYSZSA-N 2 2 367.413 0.804 20 0 FCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001341418138 1268984121 /nfs/dbraw/zinc/98/41/21/1268984121.db2.gz POZJMYLHQPAOEQ-VSZNYVQBSA-N 2 2 351.539 0.994 20 0 FCADLP O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001558956725 1269155439 /nfs/dbraw/zinc/15/54/39/1269155439.db2.gz YNKLVYAFMIOSNH-RHSMWYFYSA-N 2 2 358.442 0.804 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001341731975 1269175003 /nfs/dbraw/zinc/17/50/03/1269175003.db2.gz GWEGRAJIGNKQGA-FPCVCCKLSA-N 2 2 359.474 0.630 20 0 FCADLP O=C(NCCCCCN1CC[NH2+]CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001341821679 1269228736 /nfs/dbraw/zinc/22/87/36/1269228736.db2.gz CONWILUEQZSDQO-GOSISDBHSA-N 2 2 352.523 0.822 20 0 FCADLP O=C(NCCCCCN1CC[NH2+]CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001341821679 1269228744 /nfs/dbraw/zinc/22/87/44/1269228744.db2.gz CONWILUEQZSDQO-GOSISDBHSA-N 2 2 352.523 0.822 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC001563447137 1269390099 /nfs/dbraw/zinc/39/00/99/1269390099.db2.gz GQOKTHDNUMKERH-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC001563447137 1269390109 /nfs/dbraw/zinc/39/01/09/1269390109.db2.gz GQOKTHDNUMKERH-OAHLLOKOSA-N 2 2 353.511 0.713 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001565974550 1269536311 /nfs/dbraw/zinc/53/63/11/1269536311.db2.gz MKFHHXCAWLHRJE-UPJWGTAASA-N 2 2 364.450 0.013 20 0 FCADLP COCCn1c([C@H]2CCC[N@H+](C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001342703910 1269569499 /nfs/dbraw/zinc/56/94/99/1269569499.db2.gz AJLOLIMFYIGJNL-INIZCTEOSA-N 2 2 366.510 0.502 20 0 FCADLP COCCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001342703910 1269569505 /nfs/dbraw/zinc/56/95/05/1269569505.db2.gz AJLOLIMFYIGJNL-INIZCTEOSA-N 2 2 366.510 0.502 20 0 FCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cn(CCOC)nn3)CC2)CC1 ZINC001570442463 1269883598 /nfs/dbraw/zinc/88/35/98/1269883598.db2.gz USOHOIGAOQZXGB-UHFFFAOYSA-N 2 2 364.494 0.557 20 0 FCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cn(CCOC)nn3)CC2)CC1 ZINC001570442463 1269883608 /nfs/dbraw/zinc/88/36/08/1269883608.db2.gz USOHOIGAOQZXGB-UHFFFAOYSA-N 2 2 364.494 0.557 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O)C1CCC1 ZINC001343475596 1269920470 /nfs/dbraw/zinc/92/04/70/1269920470.db2.gz CWYOQYKKBGQFTN-SJORKVTESA-N 2 2 371.441 0.349 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O)C1CCC1 ZINC001343475596 1269920477 /nfs/dbraw/zinc/92/04/77/1269920477.db2.gz CWYOQYKKBGQFTN-SJORKVTESA-N 2 2 371.441 0.349 20 0 FCADLP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O)CC(C)(C)C ZINC001343739005 1269996569 /nfs/dbraw/zinc/99/65/69/1269996569.db2.gz FGZXZTFFLTYMPY-CABCVRRESA-N 2 2 365.478 0.008 20 0 FCADLP C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O)CC(C)(C)C ZINC001343739005 1269996574 /nfs/dbraw/zinc/99/65/74/1269996574.db2.gz FGZXZTFFLTYMPY-CABCVRRESA-N 2 2 365.478 0.008 20 0 FCADLP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001344032631 1270081805 /nfs/dbraw/zinc/08/18/05/1270081805.db2.gz OVPACSRSRUTWSO-MRXNPFEDSA-N 3 2 363.506 0.512 20 0 FCADLP CN(C(=O)C1=NOC2(C1)CC[NH2+]CC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001344032631 1270081818 /nfs/dbraw/zinc/08/18/18/1270081818.db2.gz OVPACSRSRUTWSO-MRXNPFEDSA-N 3 2 363.506 0.512 20 0 FCADLP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001572794540 1270147256 /nfs/dbraw/zinc/14/72/56/1270147256.db2.gz IHDUWCNWPLCSOF-CWRNSKLLSA-N 2 2 365.453 0.691 20 0 FCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OC ZINC001572969908 1270427528 /nfs/dbraw/zinc/42/75/28/1270427528.db2.gz FXPKCBHKVPTWSW-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OC ZINC001572969908 1270427531 /nfs/dbraw/zinc/42/75/31/1270427531.db2.gz FXPKCBHKVPTWSW-ZIAGYGMSSA-N 2 2 351.451 0.026 20 0 FCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574262103 1271136197 /nfs/dbraw/zinc/13/61/97/1271136197.db2.gz PBTJZSLLIUWACU-XMQYKBBCSA-N 2 2 370.461 0.400 20 0 FCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001574262103 1271136201 /nfs/dbraw/zinc/13/62/01/1271136201.db2.gz PBTJZSLLIUWACU-XMQYKBBCSA-N 2 2 370.461 0.400 20 0 FCADLP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574601819 1271405493 /nfs/dbraw/zinc/40/54/93/1271405493.db2.gz IYJNHDZEWBGRSZ-STQMWFEESA-N 2 2 369.433 0.838 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001574778665 1271511781 /nfs/dbraw/zinc/51/17/81/1271511781.db2.gz LYOZTBVRAXGBBZ-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001574778665 1271511787 /nfs/dbraw/zinc/51/17/87/1271511787.db2.gz LYOZTBVRAXGBBZ-ZDUSSCGKSA-N 2 2 368.445 0.779 20 0 FCADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574782205 1271517449 /nfs/dbraw/zinc/51/74/49/1271517449.db2.gz WDDMZOQUVMKAOP-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001574782205 1271517454 /nfs/dbraw/zinc/51/74/54/1271517454.db2.gz WDDMZOQUVMKAOP-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574782205 1271517467 /nfs/dbraw/zinc/51/74/67/1271517467.db2.gz WDDMZOQUVMKAOP-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574782205 1271517474 /nfs/dbraw/zinc/51/74/74/1271517474.db2.gz WDDMZOQUVMKAOP-WCQYABFASA-N 2 2 363.491 0.959 20 0 FCADLP C[C@@H](CN(C)c1cc[nH+]cc1-c1nn[nH]n1)NC(=O)CCc1c[nH+]cn1C ZINC001574805739 1271546572 /nfs/dbraw/zinc/54/65/72/1271546572.db2.gz YDXQZAQDVFHHHS-LBPRGKRZSA-N 2 2 369.433 0.569 20 0 FCADLP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+][C@@]1(CO)CCC[NH2+]C1)O2 ZINC001575173097 1271762819 /nfs/dbraw/zinc/76/28/19/1271762819.db2.gz TZOSBLJFMQPJRA-YOEHRIQHSA-N 2 2 355.479 0.859 20 0 FCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575379100 1272020790 /nfs/dbraw/zinc/02/07/90/1272020790.db2.gz LVCHIBQXVBQMIP-WDEREUQCSA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001575390756 1272037761 /nfs/dbraw/zinc/03/77/61/1272037761.db2.gz DCYZSIFAUVQKFW-MNOVXSKESA-N 2 2 372.408 0.954 20 0 FCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391799 1272040400 /nfs/dbraw/zinc/04/04/00/1272040400.db2.gz LAOMDBBZXVEXBU-CHWSQXEVSA-N 2 2 368.445 0.826 20 0 FCADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575391802 1272040517 /nfs/dbraw/zinc/04/05/17/1272040517.db2.gz LAOMDBBZXVEXBU-STQMWFEESA-N 2 2 368.445 0.826 20 0 FCADLP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001575438865 1272108610 /nfs/dbraw/zinc/10/86/10/1272108610.db2.gz KUUSCRFVELVSQA-OLZOCXBDSA-N 2 2 367.417 0.229 20 0 FCADLP CC(C)C[N@H+](C)CCCNC(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001575591037 1272222761 /nfs/dbraw/zinc/22/27/61/1272222761.db2.gz DOCURUSTOMJXQA-SFHVURJKSA-N 2 2 357.495 0.781 20 0 FCADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001575591037 1272222768 /nfs/dbraw/zinc/22/27/68/1272222768.db2.gz DOCURUSTOMJXQA-SFHVURJKSA-N 2 2 357.495 0.781 20 0 FCADLP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH3+])C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001575722211 1272378924 /nfs/dbraw/zinc/37/89/24/1272378924.db2.gz IFVUNHMRCYYHBZ-AWEZNQCLSA-N 2 2 372.477 0.463 20 0 FCADLP CC1(C)CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001575726982 1272384772 /nfs/dbraw/zinc/38/47/72/1272384772.db2.gz MVBBTQGVGDEQOF-CQSZACIVSA-N 2 2 367.417 0.489 20 0 FCADLP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001576052790 1272784308 /nfs/dbraw/zinc/78/43/08/1272784308.db2.gz NEYANARYNWYJED-QWHCGFSZSA-N 2 2 367.417 0.372 20 0 FCADLP C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC001576070399 1272832542 /nfs/dbraw/zinc/83/25/42/1272832542.db2.gz JTEVTBBMWMNIPD-ARFHVFGLSA-N 2 2 364.494 0.635 20 0 FCADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576257308 1273042586 /nfs/dbraw/zinc/04/25/86/1273042586.db2.gz YFUXLGIABFNSRL-DZGCQCFKSA-N 2 2 370.461 0.428 20 0 FCADLP CC[C@H](C(=O)NCC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+](C)C ZINC001576501810 1273367644 /nfs/dbraw/zinc/36/76/44/1273367644.db2.gz YMMVGSQYCNUIEH-DZGCQCFKSA-N 2 2 372.477 0.935 20 0 FCADLP CC[C@@H](C(=O)N1C[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1)[NH+](C)C ZINC001576515849 1273397871 /nfs/dbraw/zinc/39/78/71/1273397871.db2.gz HBPKWGFAEBGBEW-GUTXKFCHSA-N 2 2 370.461 0.497 20 0 FCADLP CC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001576552122 1273432679 /nfs/dbraw/zinc/43/26/79/1273432679.db2.gz HSXOEKYBFCNHJO-UHFFFAOYSA-N 2 2 361.450 0.981 20 0 FCADLP C[NH+](C)CCn1cc(C(=O)N2CCCCC[C@H]([NH2+]Cc3c[nH]nn3)C2)cn1 ZINC001576749276 1273621094 /nfs/dbraw/zinc/62/10/94/1273621094.db2.gz CNADIMASSSRQIS-INIZCTEOSA-N 2 2 374.493 0.737 20 0 FCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC001576760284 1273632310 /nfs/dbraw/zinc/63/23/10/1273632310.db2.gz NIRCHTWUEXPDAZ-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC001576760284 1273632321 /nfs/dbraw/zinc/63/23/21/1273632321.db2.gz NIRCHTWUEXPDAZ-IXDOHACOSA-N 2 2 358.486 0.928 20 0 FCADLP C[N@H+](CC(=O)N1CCC(O)(C[NH2+]Cc2cnn[nH]2)CC1)Cc1ccccc1 ZINC001576762789 1273635181 /nfs/dbraw/zinc/63/51/81/1273635181.db2.gz WJHHRTRARXIQQW-UHFFFAOYSA-N 2 2 372.473 0.380 20 0 FCADLP C[N@@H+](CC(=O)N1CCC(O)(C[NH2+]Cc2cnn[nH]2)CC1)Cc1ccccc1 ZINC001576762789 1273635187 /nfs/dbraw/zinc/63/51/87/1273635187.db2.gz WJHHRTRARXIQQW-UHFFFAOYSA-N 2 2 372.473 0.380 20 0 FCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576807842 1273720859 /nfs/dbraw/zinc/72/08/59/1273720859.db2.gz WKXZCIIUZBONEN-KBPBESRZSA-N 2 2 358.483 0.326 20 0 FCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH2+]CCNC(=O)OC(C)(C)C)[C@@H](C)CO1 ZINC001576807842 1273720862 /nfs/dbraw/zinc/72/08/62/1273720862.db2.gz WKXZCIIUZBONEN-KBPBESRZSA-N 2 2 358.483 0.326 20 0 FCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576834360 1273761882 /nfs/dbraw/zinc/76/18/82/1273761882.db2.gz DUDIQCBQUVQNGN-LBPRGKRZSA-N 2 2 372.408 0.956 20 0 FCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001576835910 1273769194 /nfs/dbraw/zinc/76/91/94/1273769194.db2.gz UOIHFZCARRPJIA-NSHDSACASA-N 2 2 360.447 0.809 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001576836404 1273770803 /nfs/dbraw/zinc/77/08/03/1273770803.db2.gz NNDGOAYGXBAXAE-HNNXBMFYSA-N 2 2 368.445 0.827 20 0 FCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001576836598 1273772388 /nfs/dbraw/zinc/77/23/88/1273772388.db2.gz RTWWADYSLFGGJO-AWEZNQCLSA-N 2 2 368.445 0.827 20 0 FCADLP C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC001576837848 1273774362 /nfs/dbraw/zinc/77/43/62/1273774362.db2.gz MJMZVOBAWXFLCR-OAGGEKHMSA-N 2 2 364.494 0.301 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001577040258 1274103358 /nfs/dbraw/zinc/10/33/58/1274103358.db2.gz JNYKHWQKOBSLFZ-DJIMGWMZSA-N 2 2 364.494 0.427 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001577040258 1274103365 /nfs/dbraw/zinc/10/33/65/1274103365.db2.gz JNYKHWQKOBSLFZ-DJIMGWMZSA-N 2 2 364.494 0.427 20 0 FCADLP CO[C@@H]1C[N@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001577040258 1274103369 /nfs/dbraw/zinc/10/33/69/1274103369.db2.gz JNYKHWQKOBSLFZ-DJIMGWMZSA-N 2 2 364.494 0.427 20 0 FCADLP CO[C@@H]1C[N@@H+](CCc2cn[nH]n2)C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001577040258 1274103372 /nfs/dbraw/zinc/10/33/72/1274103372.db2.gz JNYKHWQKOBSLFZ-DJIMGWMZSA-N 2 2 364.494 0.427 20 0 FCADLP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001577477428 1274434086 /nfs/dbraw/zinc/43/40/86/1274434086.db2.gz RDOZGOUERRCVHY-BBRMVZONSA-N 2 2 372.477 0.865 20 0 FCADLP CCCC[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001577477428 1274434088 /nfs/dbraw/zinc/43/40/88/1274434088.db2.gz RDOZGOUERRCVHY-BBRMVZONSA-N 2 2 372.477 0.865 20 0 FCADLP CCC[N@H+](C)CC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554048 1274495750 /nfs/dbraw/zinc/49/57/50/1274495750.db2.gz ONQJMXBGJVVYQV-ZDUSSCGKSA-N 2 2 358.450 0.641 20 0 FCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577554048 1274495754 /nfs/dbraw/zinc/49/57/54/1274495754.db2.gz ONQJMXBGJVVYQV-ZDUSSCGKSA-N 2 2 358.450 0.641 20 0 FCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577561167 1274509786 /nfs/dbraw/zinc/50/97/86/1274509786.db2.gz RNTHOTXFMMZYRF-CYBMUJFWSA-N 2 2 358.450 0.689 20 0 FCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001577561167 1274509789 /nfs/dbraw/zinc/50/97/89/1274509789.db2.gz RNTHOTXFMMZYRF-CYBMUJFWSA-N 2 2 358.450 0.689 20 0 FCADLP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577849823 1274987521 /nfs/dbraw/zinc/98/75/21/1274987521.db2.gz ZQVQGIZWDZXBLS-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001577849823 1274987526 /nfs/dbraw/zinc/98/75/26/1274987526.db2.gz ZQVQGIZWDZXBLS-UHFFFAOYSA-N 2 2 357.462 0.851 20 0 FCADLP CC[NH+](CC)CC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCC1 ZINC001577891865 1275100400 /nfs/dbraw/zinc/10/04/00/1275100400.db2.gz IARIJTKFWAHXQH-UHFFFAOYSA-N 2 2 358.450 0.476 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCc2c[nH]nn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985602 1275222318 /nfs/dbraw/zinc/22/23/18/1275222318.db2.gz LFBDBXNFDMJKNT-AWEZNQCLSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCc2c[nH]nn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985602 1275222322 /nfs/dbraw/zinc/22/23/22/1275222322.db2.gz LFBDBXNFDMJKNT-AWEZNQCLSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@H]1CC[N@H+](CCc2cn[nH]n2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985602 1275222327 /nfs/dbraw/zinc/22/23/27/1275222327.db2.gz LFBDBXNFDMJKNT-AWEZNQCLSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(N[C@H]1CC[N@@H+](CCc2cn[nH]n2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001577985602 1275222332 /nfs/dbraw/zinc/22/23/32/1275222332.db2.gz LFBDBXNFDMJKNT-AWEZNQCLSA-N 2 2 352.402 0.432 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001578027309 1275301289 /nfs/dbraw/zinc/30/12/89/1275301289.db2.gz KBQXUDIYZKCRKE-OAHLLOKOSA-N 2 2 373.461 0.825 20 0 FCADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H]([NH2+]CCc2c[nH]nn2)C1 ZINC001578027309 1275301300 /nfs/dbraw/zinc/30/13/00/1275301300.db2.gz KBQXUDIYZKCRKE-OAHLLOKOSA-N 2 2 373.461 0.825 20 0 FCADLP CCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001578036831 1275315951 /nfs/dbraw/zinc/31/59/51/1275315951.db2.gz BSJCSGVBLWYCAP-UHFFFAOYSA-N 2 2 369.433 0.787 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@@H+]1C ZINC001578174876 1275469701 /nfs/dbraw/zinc/46/97/01/1275469701.db2.gz CAHJVDDFOISHBX-KBRIMQKVSA-N 2 2 361.490 0.704 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)CCc2c[nH+]cn2C)C2CC2)CC[N@H+]1C ZINC001578174876 1275469705 /nfs/dbraw/zinc/46/97/05/1275469705.db2.gz CAHJVDDFOISHBX-KBRIMQKVSA-N 2 2 361.490 0.704 20 0 FCADLP CCN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001578197298 1275487643 /nfs/dbraw/zinc/48/76/43/1275487643.db2.gz QMSIHTLRJZJUBU-GFCCVEGCSA-N 2 2 369.433 0.798 20 0 FCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578525098 1275958088 /nfs/dbraw/zinc/95/80/88/1275958088.db2.gz OXZSGVPDDMVIGA-INIZCTEOSA-N 3 2 353.511 0.175 20 0 FCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578525098 1275958092 /nfs/dbraw/zinc/95/80/92/1275958092.db2.gz OXZSGVPDDMVIGA-INIZCTEOSA-N 3 2 353.511 0.175 20 0 FCADLP C[N@@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532820 1275963449 /nfs/dbraw/zinc/96/34/49/1275963449.db2.gz XWRXASXFSFLNAB-LLVKDONJSA-N 2 2 350.410 0.638 20 0 FCADLP C[N@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001578532820 1275963452 /nfs/dbraw/zinc/96/34/52/1275963452.db2.gz XWRXASXFSFLNAB-LLVKDONJSA-N 2 2 350.410 0.638 20 0 FCADLP COC(=O)[C@H]1C[N@H+](CCC(=O)N2CCOc3ccccc32)CC12C[NH2+]C2 ZINC001578795870 1276284299 /nfs/dbraw/zinc/28/42/99/1276284299.db2.gz DVQMSPDTUUCNLN-CQSZACIVSA-N 2 2 359.426 0.497 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](CCC(=O)N2CCOc3ccccc32)CC12C[NH2+]C2 ZINC001578795870 1276284308 /nfs/dbraw/zinc/28/43/08/1276284308.db2.gz DVQMSPDTUUCNLN-CQSZACIVSA-N 2 2 359.426 0.497 20 0 FCADLP COC(=O)[C@H]1C[N@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798371 1276288345 /nfs/dbraw/zinc/28/83/45/1276288345.db2.gz YLZZOYSLWMRUHL-GOEBONIOSA-N 2 2 359.426 0.602 20 0 FCADLP COC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC12C[NH2+]C2 ZINC001578798371 1276288349 /nfs/dbraw/zinc/28/83/49/1276288349.db2.gz YLZZOYSLWMRUHL-GOEBONIOSA-N 2 2 359.426 0.602 20 0 FCADLP C[NH+](C)C1(C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CCC1 ZINC001578964300 1276507759 /nfs/dbraw/zinc/50/77/59/1276507759.db2.gz JVNVAAJMRXJING-UHFFFAOYSA-N 2 2 370.461 0.785 20 0 FCADLP C[N@H+](CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007929 1276581429 /nfs/dbraw/zinc/58/14/29/1276581429.db2.gz HESSNPUXQZMPGL-ZDUSSCGKSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@@H+](CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001579007929 1276581434 /nfs/dbraw/zinc/58/14/34/1276581434.db2.gz HESSNPUXQZMPGL-ZDUSSCGKSA-N 2 2 370.461 0.831 20 0 FCADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001579059249 1276665594 /nfs/dbraw/zinc/66/55/94/1276665594.db2.gz QJMUCGLSVFUWKC-GJZGRUSLSA-N 2 2 358.483 0.090 20 0 FCADLP CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070077 1276680246 /nfs/dbraw/zinc/68/02/46/1276680246.db2.gz NNTNSPUFZJKPJL-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579070077 1276680258 /nfs/dbraw/zinc/68/02/58/1276680258.db2.gz NNTNSPUFZJKPJL-CZUORRHYSA-N 2 2 370.461 0.783 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083732 1276712254 /nfs/dbraw/zinc/71/22/54/1276712254.db2.gz WELGSELTINEYKA-BBRMVZONSA-N 2 2 370.461 0.641 20 0 FCADLP CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001579083732 1276712262 /nfs/dbraw/zinc/71/22/62/1276712262.db2.gz WELGSELTINEYKA-BBRMVZONSA-N 2 2 370.461 0.641 20 0 FCADLP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579101090 1276755334 /nfs/dbraw/zinc/75/53/34/1276755334.db2.gz HDWYWOPIDRHQOC-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579101090 1276755337 /nfs/dbraw/zinc/75/53/37/1276755337.db2.gz HDWYWOPIDRHQOC-INIZCTEOSA-N 2 2 366.429 0.796 20 0 FCADLP CN(C[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579103170 1276759301 /nfs/dbraw/zinc/75/93/01/1276759301.db2.gz UOBLTIBNKZTAKG-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(C[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001579103170 1276759309 /nfs/dbraw/zinc/75/93/09/1276759309.db2.gz UOBLTIBNKZTAKG-MRXNPFEDSA-N 2 2 366.429 0.865 20 0 FCADLP CN(CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579137210 1276838664 /nfs/dbraw/zinc/83/86/64/1276838664.db2.gz XMMDQIZTJNVKAP-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)C(=O)Cn1cc[nH+]c1 ZINC001579137210 1276838671 /nfs/dbraw/zinc/83/86/71/1276838671.db2.gz XMMDQIZTJNVKAP-UHFFFAOYSA-N 2 2 354.418 0.654 20 0 FCADLP CN(CC[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579136709 1276839977 /nfs/dbraw/zinc/83/99/77/1276839977.db2.gz KDDGRILRUUWLQC-UHFFFAOYSA-N 2 2 372.408 0.793 20 0 FCADLP CN(CC[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)Cn1cc[nH+]c1 ZINC001579136709 1276840001 /nfs/dbraw/zinc/84/00/01/1276840001.db2.gz KDDGRILRUUWLQC-UHFFFAOYSA-N 2 2 372.408 0.793 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180700 1276947305 /nfs/dbraw/zinc/94/73/05/1276947305.db2.gz XVCAOFFYKIPTCJ-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579180700 1276947311 /nfs/dbraw/zinc/94/73/11/1276947311.db2.gz XVCAOFFYKIPTCJ-UHFFFAOYSA-N 2 2 368.445 0.781 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579183825 1276951487 /nfs/dbraw/zinc/95/14/87/1276951487.db2.gz LLSJMNIUAPXIDX-UHFFFAOYSA-N 2 2 372.408 0.530 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001579183825 1276951493 /nfs/dbraw/zinc/95/14/93/1276951493.db2.gz LLSJMNIUAPXIDX-UHFFFAOYSA-N 2 2 372.408 0.530 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579183474 1276951925 /nfs/dbraw/zinc/95/19/25/1276951925.db2.gz DCQMRPUNEKMQHR-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579183474 1276951929 /nfs/dbraw/zinc/95/19/29/1276951929.db2.gz DCQMRPUNEKMQHR-UHFFFAOYSA-N 2 2 354.418 0.391 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356482 1277218925 /nfs/dbraw/zinc/21/89/25/1277218925.db2.gz KUBSJSWEYLMPLN-WMLDXEAASA-N 2 2 356.434 0.441 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579356482 1277218929 /nfs/dbraw/zinc/21/89/29/1277218929.db2.gz KUBSJSWEYLMPLN-WMLDXEAASA-N 2 2 356.434 0.441 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355542 1277219537 /nfs/dbraw/zinc/21/95/37/1277219537.db2.gz DWHQMHUSINDXAS-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355542 1277219546 /nfs/dbraw/zinc/21/95/46/1277219546.db2.gz DWHQMHUSINDXAS-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355542 1277219584 /nfs/dbraw/zinc/21/95/84/1277219584.db2.gz DWHQMHUSINDXAS-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579355542 1277219587 /nfs/dbraw/zinc/21/95/87/1277219587.db2.gz DWHQMHUSINDXAS-CVEARBPZSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356827 1277222265 /nfs/dbraw/zinc/22/22/65/1277222265.db2.gz OCUBMWYKSJHOPX-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356827 1277222266 /nfs/dbraw/zinc/22/22/66/1277222266.db2.gz OCUBMWYKSJHOPX-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356827 1277222267 /nfs/dbraw/zinc/22/22/67/1277222267.db2.gz OCUBMWYKSJHOPX-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001579356827 1277222269 /nfs/dbraw/zinc/22/22/69/1277222269.db2.gz OCUBMWYKSJHOPX-CJNGLKHVSA-N 2 2 373.436 0.791 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356517 1277222323 /nfs/dbraw/zinc/22/23/23/1277222323.db2.gz LIMUQCXDWUAYRN-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356517 1277222325 /nfs/dbraw/zinc/22/23/25/1277222325.db2.gz LIMUQCXDWUAYRN-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356517 1277222327 /nfs/dbraw/zinc/22/23/27/1277222327.db2.gz LIMUQCXDWUAYRN-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579356517 1277222329 /nfs/dbraw/zinc/22/23/29/1277222329.db2.gz LIMUQCXDWUAYRN-WCQYABFASA-N 2 2 361.475 0.713 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001713169934 1287269413 /nfs/dbraw/zinc/26/94/13/1287269413.db2.gz VNBKGGOAPCBICN-KLHDSHLOSA-N 2 2 359.474 0.819 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579366246 1277245087 /nfs/dbraw/zinc/24/50/87/1277245087.db2.gz QGNSNXJTXFMVKO-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001579366246 1277245088 /nfs/dbraw/zinc/24/50/88/1277245088.db2.gz QGNSNXJTXFMVKO-QGZVFWFLSA-N 2 2 369.473 0.995 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366285 1277247153 /nfs/dbraw/zinc/24/71/53/1277247153.db2.gz RDPFKXYCMOCUIV-JKSUJKDBSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366285 1277247155 /nfs/dbraw/zinc/24/71/55/1277247155.db2.gz RDPFKXYCMOCUIV-JKSUJKDBSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366284 1277248330 /nfs/dbraw/zinc/24/83/30/1277248330.db2.gz RDPFKXYCMOCUIV-HZPDHXFCSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001579366284 1277248336 /nfs/dbraw/zinc/24/83/36/1277248336.db2.gz RDPFKXYCMOCUIV-HZPDHXFCSA-N 2 2 370.461 0.475 20 0 FCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372070 1277253843 /nfs/dbraw/zinc/25/38/43/1277253843.db2.gz ATXSZPCKPPFXPO-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372070 1277253845 /nfs/dbraw/zinc/25/38/45/1277253845.db2.gz ATXSZPCKPPFXPO-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372070 1277253856 /nfs/dbraw/zinc/25/38/56/1277253856.db2.gz ATXSZPCKPPFXPO-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001579372070 1277253877 /nfs/dbraw/zinc/25/38/77/1277253877.db2.gz ATXSZPCKPPFXPO-HZPDHXFCSA-N 2 2 355.446 0.651 20 0 FCADLP CNC(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001714322397 1287318963 /nfs/dbraw/zinc/31/89/63/1287318963.db2.gz ZOGMEENFWMDOGI-HZPDHXFCSA-N 2 2 355.442 0.676 20 0 FCADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cc[nH+]c1 ZINC001580278990 1278078616 /nfs/dbraw/zinc/07/86/16/1278078616.db2.gz KJMUTQSYCQIOQS-ZDUSSCGKSA-N 2 2 354.418 0.748 20 0 FCADLP C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCc1[nH+]ccn1C ZINC001580280044 1278080590 /nfs/dbraw/zinc/08/05/90/1278080590.db2.gz SPNCXWHADPRDIW-ZDUSSCGKSA-N 2 2 368.445 0.827 20 0 FCADLP O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC001580872779 1279076676 /nfs/dbraw/zinc/07/66/76/1279076676.db2.gz KTRRYHYMEBITDH-QAETUUGQSA-N 2 2 358.504 0.423 20 0 FCADLP O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCCO2)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC001580872779 1279076683 /nfs/dbraw/zinc/07/66/83/1279076683.db2.gz KTRRYHYMEBITDH-QAETUUGQSA-N 2 2 358.504 0.423 20 0 FCADLP Cc1cc(N(C)[C@H](C)CNC(=O)Cc2c[nH+]cn2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001580942302 1279149564 /nfs/dbraw/zinc/14/95/64/1279149564.db2.gz XBZUPXVASTWHKC-GFCCVEGCSA-N 2 2 369.433 0.487 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580943441 1279151060 /nfs/dbraw/zinc/15/10/60/1279151060.db2.gz HLHWGSLNWDVQCR-GFCCVEGCSA-N 2 2 369.433 0.716 20 0 FCADLP Cc1cc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580958491 1279161567 /nfs/dbraw/zinc/16/15/67/1279161567.db2.gz CTTSCYHYMTVWIA-LBPRGKRZSA-N 2 2 353.390 0.162 20 0 FCADLP Cc1cc(N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580967863 1279168124 /nfs/dbraw/zinc/16/81/24/1279168124.db2.gz APXABXZWGDFVBO-UHFFFAOYSA-N 2 2 367.417 0.506 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)Nc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001580990860 1279192835 /nfs/dbraw/zinc/19/28/35/1279192835.db2.gz JEGQFEHWLJWSMC-NSHDSACASA-N 2 2 369.433 0.504 20 0 FCADLP Cc1cc(NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581023776 1279254712 /nfs/dbraw/zinc/25/47/12/1279254712.db2.gz TYEFZAORPKFBRD-LBPRGKRZSA-N 2 2 367.417 0.218 20 0 FCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CNc2cc[nH+]cc2-c2nn[nH]n2)c[nH+]1 ZINC001581305277 1279633701 /nfs/dbraw/zinc/63/37/01/1279633701.db2.gz VWSXPNJYGGRCCE-LLVKDONJSA-N 2 2 369.433 0.540 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001581337607 1279714783 /nfs/dbraw/zinc/71/47/83/1279714783.db2.gz CIFNRSGBUJCEPE-UHFFFAOYSA-N 2 2 367.417 0.292 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581337957 1279715842 /nfs/dbraw/zinc/71/58/42/1279715842.db2.gz PGJCOXAHHHBZHS-GFCCVEGCSA-N 2 2 372.458 0.824 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001581338566 1279717041 /nfs/dbraw/zinc/71/70/41/1279717041.db2.gz PUZGZULPSLCFKA-UHFFFAOYSA-N 2 2 372.408 0.807 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001581338991 1279719379 /nfs/dbraw/zinc/71/93/79/1279719379.db2.gz YNDQJWGANQMUNO-SNVBAGLBSA-N 2 2 360.447 0.728 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338972 1279719534 /nfs/dbraw/zinc/71/95/34/1279719534.db2.gz XSLKVTLSHZPSDM-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001581338972 1279719539 /nfs/dbraw/zinc/71/95/39/1279719539.db2.gz XSLKVTLSHZPSDM-MRXNPFEDSA-N 2 2 366.429 0.762 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001581339543 1279719788 /nfs/dbraw/zinc/71/97/88/1279719788.db2.gz GYSUXQUSICMSQD-NSHDSACASA-N 2 2 372.408 0.805 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339374 1279720460 /nfs/dbraw/zinc/72/04/60/1279720460.db2.gz DSYSSTBYVDYNDD-RYUDHWBXSA-N 2 2 355.406 0.194 20 0 FCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001581339755 1279722357 /nfs/dbraw/zinc/72/23/57/1279722357.db2.gz KVFPWCGOIRCARE-NSHDSACASA-N 2 2 355.406 0.408 20 0 FCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001581342815 1279729736 /nfs/dbraw/zinc/72/97/36/1279729736.db2.gz XXFPTICPICRPKU-HAQNSBGRSA-N 2 2 372.458 0.870 20 0 FCADLP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001603458605 1287378439 /nfs/dbraw/zinc/37/84/39/1287378439.db2.gz PGUCSLIFLBTDPW-NWDGAFQWSA-N 2 2 369.433 0.355 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1C ZINC001581562551 1280136902 /nfs/dbraw/zinc/13/69/02/1280136902.db2.gz YLLZXQYUSGAHMN-AAEUAGOBSA-N 2 2 367.417 0.290 20 0 FCADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001581563825 1280141429 /nfs/dbraw/zinc/14/14/29/1280141429.db2.gz SAJAPONDECJFIG-UHFFFAOYSA-N 2 2 366.429 0.620 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001581564666 1280142757 /nfs/dbraw/zinc/14/27/57/1280142757.db2.gz UXZMKXQXZISRMV-CYBMUJFWSA-N 2 2 367.417 0.149 20 0 FCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001581799938 1280528017 /nfs/dbraw/zinc/52/80/17/1280528017.db2.gz ASHNBVFIDBJVQX-OAHLLOKOSA-N 2 2 354.418 0.456 20 0 FCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001582088944 1281043454 /nfs/dbraw/zinc/04/34/54/1281043454.db2.gz OUOHDRTUDAOJQM-GFCCVEGCSA-N 2 2 372.458 0.906 20 0 FCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001582090189 1281047983 /nfs/dbraw/zinc/04/79/83/1281047983.db2.gz NRRRXEHZVDSCOO-CYBMUJFWSA-N 2 2 367.417 0.634 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582099049 1281054369 /nfs/dbraw/zinc/05/43/69/1281054369.db2.gz HPFNSZRGKGXZRJ-INIZCTEOSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001582099049 1281054379 /nfs/dbraw/zinc/05/43/79/1281054379.db2.gz HPFNSZRGKGXZRJ-INIZCTEOSA-N 2 2 355.446 0.653 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001582099349 1281055580 /nfs/dbraw/zinc/05/55/80/1281055580.db2.gz PQUFCNZXSKWRFT-KGLIPLIRSA-N 2 2 370.461 0.619 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582099443 1281055870 /nfs/dbraw/zinc/05/58/70/1281055870.db2.gz ROSDAAVMOWNZFH-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582099443 1281055878 /nfs/dbraw/zinc/05/58/78/1281055878.db2.gz ROSDAAVMOWNZFH-CQSZACIVSA-N 2 2 373.436 0.792 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001582182602 1281158730 /nfs/dbraw/zinc/15/87/30/1281158730.db2.gz KATYXDDFCBIZLR-CYBMUJFWSA-N 2 2 366.429 0.771 20 0 FCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001582182914 1281159572 /nfs/dbraw/zinc/15/95/72/1281159572.db2.gz QYPPJTKWAKSIMS-LBPRGKRZSA-N 2 2 370.392 0.662 20 0 FCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001582194997 1281175444 /nfs/dbraw/zinc/17/54/44/1281175444.db2.gz FXDOBEOYQDIDRY-CYBMUJFWSA-N 2 2 370.392 0.593 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582196206 1281177143 /nfs/dbraw/zinc/17/71/43/1281177143.db2.gz GIHSBHVFIDEGQK-GXTWGEPZSA-N 2 2 367.417 0.277 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197543 1281182560 /nfs/dbraw/zinc/18/25/60/1281182560.db2.gz SRIGVFPXMSZBKM-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001582197543 1281182564 /nfs/dbraw/zinc/18/25/64/1281182564.db2.gz SRIGVFPXMSZBKM-OAHLLOKOSA-N 2 2 366.429 0.844 20 0 FCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001603922156 1287537808 /nfs/dbraw/zinc/53/78/08/1287537808.db2.gz XMJOBKRZPATGFM-BBRMVZONSA-N 2 2 366.429 0.700 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001632664217 1282196148 /nfs/dbraw/zinc/19/61/48/1282196148.db2.gz LSJVQHWGWBADET-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001632664217 1282196155 /nfs/dbraw/zinc/19/61/55/1282196155.db2.gz LSJVQHWGWBADET-DLBZAZTESA-N 2 2 368.522 0.545 20 0 FCADLP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC001632858726 1282214824 /nfs/dbraw/zinc/21/48/24/1282214824.db2.gz UEGUANQILCWWCW-UHFFFAOYSA-N 2 2 368.503 0.382 20 0 FCADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001589139534 1282805569 /nfs/dbraw/zinc/80/55/69/1282805569.db2.gz UXRKGTZHEZRDEP-UHFFFAOYSA-N 2 2 372.477 0.722 20 0 FCADLP C[C@H](CC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001589828108 1283066540 /nfs/dbraw/zinc/06/65/40/1283066540.db2.gz MMJNRHGBQVIYHI-GFCCVEGCSA-N 2 2 372.408 0.887 20 0 FCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001590199356 1283313917 /nfs/dbraw/zinc/31/39/17/1283313917.db2.gz QRRRKBBJIOGZLV-OLZOCXBDSA-N 2 2 367.417 0.632 20 0 FCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001590205216 1283326134 /nfs/dbraw/zinc/32/61/34/1283326134.db2.gz FIAXVHDFBIFLNN-TZMCWYRMSA-N 2 2 366.429 0.912 20 0 FCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001590292387 1283423354 /nfs/dbraw/zinc/42/33/54/1283423354.db2.gz XGRMLXUIWVGLSL-WFASDCNBSA-N 2 2 366.429 0.769 20 0 FCADLP C[C@H]1C[N@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590309819 1283455779 /nfs/dbraw/zinc/45/57/79/1283455779.db2.gz ZMBIRTKAZNEJDD-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP C[C@H]1C[N@@H+](Cc2ccncc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001590309819 1283455787 /nfs/dbraw/zinc/45/57/87/1283455787.db2.gz ZMBIRTKAZNEJDD-WMLDXEAASA-N 2 2 356.478 0.720 20 0 FCADLP C[NH+](C)CCN1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC001591020437 1284075458 /nfs/dbraw/zinc/07/54/58/1284075458.db2.gz LEKVGDIIZNANKU-UHFFFAOYSA-N 2 2 373.461 0.341 20 0 FCADLP C[NH+](C)CCN1CC[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC001591020437 1284075463 /nfs/dbraw/zinc/07/54/63/1284075463.db2.gz LEKVGDIIZNANKU-UHFFFAOYSA-N 2 2 373.461 0.341 20 0 FCADLP C[N@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1(C[NH3+])CCOCC1 ZINC001591048634 1284106773 /nfs/dbraw/zinc/10/67/73/1284106773.db2.gz MEGWTKGKEOVZJM-CQSZACIVSA-N 2 2 362.434 0.046 20 0 FCADLP C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)C1(C[NH3+])CCOCC1 ZINC001591048634 1284106778 /nfs/dbraw/zinc/10/67/78/1284106778.db2.gz MEGWTKGKEOVZJM-CQSZACIVSA-N 2 2 362.434 0.046 20 0 FCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591187848 1284301180 /nfs/dbraw/zinc/30/11/80/1284301180.db2.gz SXEFOOQXZCGNSI-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591187848 1284301189 /nfs/dbraw/zinc/30/11/89/1284301189.db2.gz SXEFOOQXZCGNSI-XJKSGUPXSA-N 2 2 370.461 0.831 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001592417096 1285342391 /nfs/dbraw/zinc/34/23/91/1285342391.db2.gz CSZVLUIQXSBFJY-TXEJJXNPSA-N 2 2 372.458 0.870 20 0 FCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 ZINC001592590422 1285521257 /nfs/dbraw/zinc/52/12/57/1285521257.db2.gz DGVGLGWUSDQQLY-UHFFFAOYSA-N 2 2 353.434 0.750 20 0 FCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001592590587 1285522455 /nfs/dbraw/zinc/52/24/55/1285522455.db2.gz SNSIWAKZTFMBFB-UHFFFAOYSA-N 2 2 368.445 0.829 20 0 FCADLP O=C(NCCCNc1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCc2c[nH+]cn2C1 ZINC001593076186 1285971763 /nfs/dbraw/zinc/97/17/63/1285971763.db2.gz MGUXVADTVANINH-LBPRGKRZSA-N 2 2 367.417 0.061 20 0 FCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593504229 1286183289 /nfs/dbraw/zinc/18/32/89/1286183289.db2.gz ILOXVWLHCHWDPF-IRXDYDNUSA-N 2 2 358.446 0.743 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504856 1286184413 /nfs/dbraw/zinc/18/44/13/1286184413.db2.gz NIKSJSPRBVJAHS-KBMXLJTQSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccccc1-c1nn[nH]n1 ZINC001593504856 1286184418 /nfs/dbraw/zinc/18/44/18/1286184418.db2.gz NIKSJSPRBVJAHS-KBMXLJTQSA-N 2 2 358.446 0.823 20 0 FCADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518651 1286190567 /nfs/dbraw/zinc/19/05/67/1286190567.db2.gz BRZIGIAVBMETJA-DLBZAZTESA-N 2 2 358.446 0.431 20 0 FCADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593518651 1286190573 /nfs/dbraw/zinc/19/05/73/1286190573.db2.gz BRZIGIAVBMETJA-DLBZAZTESA-N 2 2 358.446 0.431 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001704414485 1286247499 /nfs/dbraw/zinc/24/74/99/1286247499.db2.gz BBQATFIWRPFQKY-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001704414485 1286247508 /nfs/dbraw/zinc/24/75/08/1286247508.db2.gz BBQATFIWRPFQKY-OAGGEKHMSA-N 2 2 359.474 0.725 20 0 FCADLP CO[C@H](C)CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001704465530 1286254631 /nfs/dbraw/zinc/25/46/31/1286254631.db2.gz TXPRQJASOTWZPD-BRWVUGGUSA-N 2 2 368.522 0.354 20 0 FCADLP CO[C@H](C)CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001704465530 1286254639 /nfs/dbraw/zinc/25/46/39/1286254639.db2.gz TXPRQJASOTWZPD-BRWVUGGUSA-N 2 2 368.522 0.354 20 0 FCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001595599134 1286255133 /nfs/dbraw/zinc/25/51/33/1286255133.db2.gz NZBLRNWLHPAYNO-INIZCTEOSA-N 2 2 374.485 0.981 20 0 FCADLP C[N@H+](CCO)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001596048001 1286282609 /nfs/dbraw/zinc/28/26/09/1286282609.db2.gz OCUTUEAWRVTQFK-INIZCTEOSA-N 2 2 365.478 0.058 20 0 FCADLP C[N@@H+](CCO)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001596048001 1286282614 /nfs/dbraw/zinc/28/26/14/1286282614.db2.gz OCUTUEAWRVTQFK-INIZCTEOSA-N 2 2 365.478 0.058 20 0 FCADLP C[N@H+](CCO)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001596048001 1286282620 /nfs/dbraw/zinc/28/26/20/1286282620.db2.gz OCUTUEAWRVTQFK-INIZCTEOSA-N 2 2 365.478 0.058 20 0 FCADLP C[N@@H+](CCO)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001596048001 1286282625 /nfs/dbraw/zinc/28/26/25/1286282625.db2.gz OCUTUEAWRVTQFK-INIZCTEOSA-N 2 2 365.478 0.058 20 0 FCADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001707162333 1286484518 /nfs/dbraw/zinc/48/45/18/1286484518.db2.gz HORZWXLIPDJHFR-BZPMIXESSA-N 2 2 364.450 0.013 20 0 FCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860396 1287800878 /nfs/dbraw/zinc/80/08/78/1287800878.db2.gz KFMCJNRWNDBMKQ-HUBLWGQQSA-N 2 2 354.418 0.145 20 0 FCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1 ZINC001604860396 1287800879 /nfs/dbraw/zinc/80/08/79/1287800879.db2.gz KFMCJNRWNDBMKQ-HUBLWGQQSA-N 2 2 354.418 0.145 20 0 FCADLP COc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1-c1nn[nH]n1 ZINC001605210215 1287910929 /nfs/dbraw/zinc/91/09/29/1287910929.db2.gz WLZZCHARKSTJJJ-AWEZNQCLSA-N 2 2 371.445 0.272 20 0 FCADLP COc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1-c1nn[nH]n1 ZINC001605210215 1287910938 /nfs/dbraw/zinc/91/09/38/1287910938.db2.gz WLZZCHARKSTJJJ-AWEZNQCLSA-N 2 2 371.445 0.272 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001719232848 1287912913 /nfs/dbraw/zinc/91/29/13/1287912913.db2.gz GAMOHZWRBUYHCR-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001719232848 1287912921 /nfs/dbraw/zinc/91/29/21/1287912921.db2.gz GAMOHZWRBUYHCR-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001719232848 1287912926 /nfs/dbraw/zinc/91/29/26/1287912926.db2.gz GAMOHZWRBUYHCR-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001719232848 1287912930 /nfs/dbraw/zinc/91/29/30/1287912930.db2.gz GAMOHZWRBUYHCR-HUUCEWRRSA-N 2 2 351.451 0.026 20 0 FCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720379556 1288227031 /nfs/dbraw/zinc/22/70/31/1288227031.db2.gz YTULIHCSLYNDDJ-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001720379556 1288227035 /nfs/dbraw/zinc/22/70/35/1288227035.db2.gz YTULIHCSLYNDDJ-BZUAXINKSA-N 2 2 361.490 0.925 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC001721708890 1288370886 /nfs/dbraw/zinc/37/08/86/1288370886.db2.gz WXGMUBGPCFZSLM-OWCLPIDISA-N 2 2 361.490 0.703 20 0 FCADLP C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC001721708890 1288370893 /nfs/dbraw/zinc/37/08/93/1288370893.db2.gz WXGMUBGPCFZSLM-OWCLPIDISA-N 2 2 361.490 0.703 20 0 FCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001606620244 1288412483 /nfs/dbraw/zinc/41/24/83/1288412483.db2.gz GSNFBBPQBQXKLN-GASCZTMLSA-N 2 2 352.402 0.500 20 0 FCADLP CC(C)Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001732643332 1288587063 /nfs/dbraw/zinc/58/70/63/1288587063.db2.gz BSVIHVOTGYHUDR-MGPQQGTHSA-N 2 2 353.467 0.175 20 0 FCADLP CC(C)Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001732643332 1288587066 /nfs/dbraw/zinc/58/70/66/1288587066.db2.gz BSVIHVOTGYHUDR-MGPQQGTHSA-N 2 2 353.467 0.175 20 0 FCADLP C[N@H+](CCN1CCNC1=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691965006 1289352886 /nfs/dbraw/zinc/35/28/86/1289352886.db2.gz HPGWTMCVGGCXQH-RBSFLKMASA-N 2 2 360.462 0.319 20 0 FCADLP C[N@@H+](CCN1CCNC1=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001691965006 1289352896 /nfs/dbraw/zinc/35/28/96/1289352896.db2.gz HPGWTMCVGGCXQH-RBSFLKMASA-N 2 2 360.462 0.319 20 0 FCADLP C[N@H+](CCN1CCNC1=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001691965006 1289352907 /nfs/dbraw/zinc/35/29/07/1289352907.db2.gz HPGWTMCVGGCXQH-RBSFLKMASA-N 2 2 360.462 0.319 20 0 FCADLP C[N@@H+](CCN1CCNC1=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001691965006 1289352918 /nfs/dbraw/zinc/35/29/18/1289352918.db2.gz HPGWTMCVGGCXQH-RBSFLKMASA-N 2 2 360.462 0.319 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001692182063 1289420343 /nfs/dbraw/zinc/42/03/43/1289420343.db2.gz LSFHJXMOQDQODG-RDBSUJKOSA-N 2 2 364.450 0.005 20 0 FCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001692182063 1289420347 /nfs/dbraw/zinc/42/03/47/1289420347.db2.gz LSFHJXMOQDQODG-RDBSUJKOSA-N 2 2 364.450 0.005 20 0 FCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)nn1C ZINC001692232870 1289432832 /nfs/dbraw/zinc/43/28/32/1289432832.db2.gz ZNQYJFWRWQUVTG-LESCRADOSA-N 2 2 363.506 0.776 20 0 FCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C)nn1C ZINC001692232870 1289432835 /nfs/dbraw/zinc/43/28/35/1289432835.db2.gz ZNQYJFWRWQUVTG-LESCRADOSA-N 2 2 363.506 0.776 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)[C@@H]1C ZINC001692232322 1289433319 /nfs/dbraw/zinc/43/33/19/1289433319.db2.gz AQMNXXVNROGJCK-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1C ZINC001692232322 1289433324 /nfs/dbraw/zinc/43/33/24/1289433324.db2.gz AQMNXXVNROGJCK-OAGGEKHMSA-N 2 2 368.522 0.448 20 0 FCADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001692329343 1289446901 /nfs/dbraw/zinc/44/69/01/1289446901.db2.gz UJGJEXKYQGAMFJ-DLBZAZTESA-N 2 2 371.441 0.291 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCc3cccnc3)[C@@H]2C)CC[NH+]1C ZINC001692360794 1289451804 /nfs/dbraw/zinc/45/18/04/1289451804.db2.gz CPMALSVGDHPMPO-AHCXZYCDSA-N 2 2 373.501 0.617 20 0 FCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCc3cccnc3)[C@@H]2C)CC[NH+]1C ZINC001692360794 1289451807 /nfs/dbraw/zinc/45/18/07/1289451807.db2.gz CPMALSVGDHPMPO-AHCXZYCDSA-N 2 2 373.501 0.617 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)NCc1cccnc1 ZINC001692360794 1289451810 /nfs/dbraw/zinc/45/18/10/1289451810.db2.gz CPMALSVGDHPMPO-AHCXZYCDSA-N 2 2 373.501 0.617 20 0 FCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)NCc1cccnc1 ZINC001692360794 1289451811 /nfs/dbraw/zinc/45/18/11/1289451811.db2.gz CPMALSVGDHPMPO-AHCXZYCDSA-N 2 2 373.501 0.617 20 0 FCADLP O=C(N[C@H](C[NH2+]CCO)C1CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001699791146 1289567821 /nfs/dbraw/zinc/56/78/21/1289567821.db2.gz FRCWXBZDUZSEEJ-KURKYZTESA-N 2 2 369.506 0.123 20 0 FCADLP CCc1cnc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001699896658 1289570952 /nfs/dbraw/zinc/57/09/52/1289570952.db2.gz BVGLVEBSWPGXJY-DDUZABMNSA-N 2 2 350.463 0.630 20 0 FCADLP CCc1cnc(C[N@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001699896658 1289570961 /nfs/dbraw/zinc/57/09/61/1289570961.db2.gz BVGLVEBSWPGXJY-DDUZABMNSA-N 2 2 350.463 0.630 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001699896658 1289570970 /nfs/dbraw/zinc/57/09/70/1289570970.db2.gz BVGLVEBSWPGXJY-DDUZABMNSA-N 2 2 350.463 0.630 20 0 FCADLP CCc1cnc(C[NH+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001699896658 1289570981 /nfs/dbraw/zinc/57/09/81/1289570981.db2.gz BVGLVEBSWPGXJY-DDUZABMNSA-N 2 2 350.463 0.630 20 0 FCADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001739386154 1289896048 /nfs/dbraw/zinc/89/60/48/1289896048.db2.gz UFCDRUMXJPNBMQ-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001739386154 1289896051 /nfs/dbraw/zinc/89/60/51/1289896051.db2.gz UFCDRUMXJPNBMQ-JKSUJKDBSA-N 2 2 361.490 0.754 20 0 FCADLP CO[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001739577508 1290184257 /nfs/dbraw/zinc/18/42/57/1290184257.db2.gz POVBKVPEZBWGQB-HUUCEWRRSA-N 2 2 363.462 0.169 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)CCc3[nH+]ccn3C)C2)CC[N@@H+]1C ZINC001739762131 1290405070 /nfs/dbraw/zinc/40/50/70/1290405070.db2.gz HAAMMBVASJAVIJ-CLCXKQKWSA-N 2 2 361.490 0.800 20 0 FCADLP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(NC(=O)CCc3[nH+]ccn3C)C2)CC[N@H+]1C ZINC001739762131 1290405074 /nfs/dbraw/zinc/40/50/74/1290405074.db2.gz HAAMMBVASJAVIJ-CLCXKQKWSA-N 2 2 361.490 0.800 20 0 FCADLP COc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001627270407 1290449966 /nfs/dbraw/zinc/44/99/66/1290449966.db2.gz RUZOHPXFNKXCMP-UHFFFAOYSA-N 2 2 365.434 0.185 20 0 FCADLP CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001628813498 1290555996 /nfs/dbraw/zinc/55/59/96/1290555996.db2.gz AYTUDRLRGVWDJX-ZDUSSCGKSA-N 2 2 358.446 0.904 20 0 FCADLP CN(C(=O)c1ccc2[nH]c(=O)[nH]c2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001628813498 1290556000 /nfs/dbraw/zinc/55/60/00/1290556000.db2.gz AYTUDRLRGVWDJX-ZDUSSCGKSA-N 2 2 358.446 0.904 20 0 FCADLP Cn1nnc2cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)ccc21 ZINC001753914445 1290623139 /nfs/dbraw/zinc/62/31/39/1290623139.db2.gz SEKVETLGYAYTFY-BFHYXJOUSA-N 2 2 369.429 0.062 20 0 FCADLP Cn1nnc2cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)ccc21 ZINC001753914445 1290623144 /nfs/dbraw/zinc/62/31/44/1290623144.db2.gz SEKVETLGYAYTFY-BFHYXJOUSA-N 2 2 369.429 0.062 20 0 FCADLP CN(CC[N@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001753863560 1290623850 /nfs/dbraw/zinc/62/38/50/1290623850.db2.gz CWZVPDOOENBRQP-RRFJBIMHSA-N 2 2 357.462 0.693 20 0 FCADLP CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001753863560 1290623861 /nfs/dbraw/zinc/62/38/61/1290623861.db2.gz CWZVPDOOENBRQP-RRFJBIMHSA-N 2 2 357.462 0.693 20 0 FCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]21 ZINC001757229958 1290747459 /nfs/dbraw/zinc/74/74/59/1290747459.db2.gz XEBRQVSQOKYYFN-YFHUEUNASA-N 2 2 373.501 0.925 20 0 FCADLP Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001762624621 1290882429 /nfs/dbraw/zinc/88/24/29/1290882429.db2.gz AXAQMSCXKRIEAG-DOTOQJQBSA-N 2 2 364.494 0.076 20 0 FCADLP Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001762624621 1290882438 /nfs/dbraw/zinc/88/24/38/1290882438.db2.gz AXAQMSCXKRIEAG-DOTOQJQBSA-N 2 2 364.494 0.076 20 0 FCADLP O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001654415602 1291409347 /nfs/dbraw/zinc/40/93/47/1291409347.db2.gz CIEVTMJVYYBYAI-MJGOQNOKSA-N 2 2 374.485 0.858 20 0 FCADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)NCC(F)(F)F ZINC001656155805 1291499143 /nfs/dbraw/zinc/49/91/43/1291499143.db2.gz XPQDUMZWMNZDAC-LLVKDONJSA-N 2 2 360.384 0.385 20 0 FCADLP CN(CC[N@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001667627400 1291942010 /nfs/dbraw/zinc/94/20/10/1291942010.db2.gz RWOOVUDIUZFXLM-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CN(CC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001667627400 1291942016 /nfs/dbraw/zinc/94/20/16/1291942016.db2.gz RWOOVUDIUZFXLM-BZUAXINKSA-N 2 2 361.490 0.830 20 0 FCADLP CN(CC(C)(C)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001674860765 1292156284 /nfs/dbraw/zinc/15/62/84/1292156284.db2.gz LOAUWYMZPZHUQH-HUUCEWRRSA-N 2 2 359.478 0.927 20 0 FCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001679096598 1292292784 /nfs/dbraw/zinc/29/27/84/1292292784.db2.gz SLXWDFQETYAXED-INIZCTEOSA-N 2 2 368.522 0.897 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001689238933 1294701543 /nfs/dbraw/zinc/70/15/43/1294701543.db2.gz RNAGFBAWCWMEDP-SJORKVTESA-N 2 2 361.490 0.744 20 0 FCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC(C)C)CC[C@@H]2C1 ZINC001689238933 1294701554 /nfs/dbraw/zinc/70/15/54/1294701554.db2.gz RNAGFBAWCWMEDP-SJORKVTESA-N 2 2 361.490 0.744 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001690341268 1294864624 /nfs/dbraw/zinc/86/46/24/1294864624.db2.gz NBEYIUGJAVWMQM-XJFOESAGSA-N 2 2 354.476 0.575 20 0 FCADLP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001690341268 1294864638 /nfs/dbraw/zinc/86/46/38/1294864638.db2.gz NBEYIUGJAVWMQM-XJFOESAGSA-N 2 2 354.476 0.575 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001690521362 1294870456 /nfs/dbraw/zinc/87/04/56/1294870456.db2.gz LOZMRUCYFJVYFM-ALOQXXIVSA-N 2 2 359.474 0.614 20 0 FCADLP CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001690521362 1294870466 /nfs/dbraw/zinc/87/04/66/1294870466.db2.gz LOZMRUCYFJVYFM-ALOQXXIVSA-N 2 2 359.474 0.614 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NC2CC2)C1 ZINC001690820227 1294883622 /nfs/dbraw/zinc/88/36/22/1294883622.db2.gz DATIJILSTRSQBC-ARFHVFGLSA-N 2 2 359.474 0.725 20 0 FCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NC2CC2)C1 ZINC001690820227 1294883632 /nfs/dbraw/zinc/88/36/32/1294883632.db2.gz DATIJILSTRSQBC-ARFHVFGLSA-N 2 2 359.474 0.725 20 0 FCADLP CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691649243 1294899245 /nfs/dbraw/zinc/89/92/45/1294899245.db2.gz IUHIHDLFVZAWIF-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001691649243 1294899257 /nfs/dbraw/zinc/89/92/57/1294899257.db2.gz IUHIHDLFVZAWIF-KURKYZTESA-N 2 2 369.506 0.435 20 0 FCADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001164701869 719853561 /nfs/dbraw/zinc/85/35/61/719853561.db2.gz LHLXNZDKZJDIOP-KSSFIOAISA-N 2 2 361.446 0.313 20 0 FCADLP